From 672bb9e431158b4f1c352701f8843f83063df232 Mon Sep 17 00:00:00 2001
From: Miriam Rathbun <miriamrathbun@Miriams-MacBook-Pro-2.local>
Date: Mon, 22 Nov 2021 22:46:40 -0700
Subject: [PATCH 0001/2654] I believe I successfully implemented condensation
 of diffusion coefficients (as opposed to transport cross sections).

---
 openmc/mgxs/mgxs.py | 125 ++++++++++++++++++++++++++++++++++++++++----
 1 file changed, 114 insertions(+), 11 deletions(-)

diff --git a/openmc/mgxs/mgxs.py b/openmc/mgxs/mgxs.py
index ff739fe85..6502a5ef2 100644
--- a/openmc/mgxs/mgxs.py
+++ b/openmc/mgxs/mgxs.py
@@ -3154,30 +3154,133 @@ class DiffusionCoefficient(TransportXS):
                 raise ValueError(msg)
 
             # Switch EnergyoutFilter to EnergyFilter
+            if 'scatter-1' in self.tallies:
+                p1_tally = self.tallies['scatter-1']
+                old_filt = p1_tally.filters[-2]
+                new_filt = openmc.EnergyFilter(old_filt.values)
+                p1_tally.filters[-2] = new_filt
+
+                p1_tally = p1_tally.get_slice(filters=[openmc.LegendreFilter], 
+                    filter_bins=[('P1',)],squeeze=True)
+                p1_tally._scores = ['scatter-1']
+                total_xs = self.tallies['total'] / self.tallies['flux (tracklength)']
+                trans_corr = p1_tally / self.tallies['flux (analog)']
+                transport = total_xs - trans_corr
+                diff_coef = transport**(-1) / 3.0
+                self._xs_tally = diff_coef
+                self._compute_xs()
+
+            else:
+                self._xs_tally = self.tallies[self._rxn_type] / self.tallies['flux (tracklength)']
+                self._compute_xs()
+
+        return self._xs_tally
+
+    def get_condensed_xs(self, coarse_groups, condense_diff_coef=True):
+        """Construct an energy-condensed version of this cross section.
+
+        Parameters
+        ----------
+        coarse_groups : openmc.mgxs.EnergyGroups
+            The coarse energy group structure of interest
+
+        Returns
+        -------
+        MGXS
+            A new MGXS condensed to the group structure of interest
+
+        """
+
+        cv.check_type('coarse_groups', coarse_groups, EnergyGroups)
+        cv.check_less_than('coarse groups', coarse_groups.num_groups,
+                           self.num_groups, equality=True)
+        cv.check_value('upper coarse energy', coarse_groups.group_edges[-1],
+                       [self.energy_groups.group_edges[-1]])
+        cv.check_value('lower coarse energy', coarse_groups.group_edges[0],
+                       [self.energy_groups.group_edges[0]])
+
+        # Clone this MGXS to initialize the condensed version
+        condensed_xs = copy.deepcopy(self)
+
+        if condense_diff_coef:
             p1_tally = self.tallies['scatter-1']
             old_filt = p1_tally.filters[-2]
             new_filt = openmc.EnergyFilter(old_filt.values)
             p1_tally.filters[-2] = new_filt
-
-            # Slice Legendre expansion filter and change name of score
             p1_tally = p1_tally.get_slice(filters=[openmc.LegendreFilter],
                                           filter_bins=[('P1',)],
                                           squeeze=True)
             p1_tally._scores = ['scatter-1']
-
-            # Compute total cross section
             total_xs = self.tallies['total'] / self.tallies['flux (tracklength)']
-
-            # Compute transport correction term
             trans_corr = p1_tally / self.tallies['flux (analog)']
-
-            # Compute the diffusion coefficient
             transport = total_xs - trans_corr
             diff_coef = transport**(-1) / 3.0
-            self._xs_tally = diff_coef
-            self._compute_xs()
+            diff_coef *= self.tallies['flux (tracklength)']
+            flux_tally = condensed_xs.tallies['flux (tracklength)']
+            condensed_xs._tallies = OrderedDict()
+            condensed_xs._tallies[self._rxn_type] = diff_coef
+            condensed_xs._tallies['flux (tracklength)'] = flux_tally
+            condensed_xs._rxn_rate_tally = diff_coef
+            condensed_xs._xs_tally = None
+            condensed_xs._sparse = False
+            condensed_xs._energy_groups = coarse_groups
 
-        return self._xs_tally
+        else:
+            condensed_xs._rxn_rate_tally = None
+            condensed_xs._xs_tally = None
+            condensed_xs._sparse = False
+            condensed_xs._energy_groups = coarse_groups
+
+        # Build energy indices to sum across
+        energy_indices = []
+        for group in range(coarse_groups.num_groups, 0, -1):
+            low, high = coarse_groups.get_group_bounds(group)
+            low_index = np.where(self.energy_groups.group_edges == low)[0][0]
+            energy_indices.append(low_index)
+
+        fine_edges = self.energy_groups.group_edges
+
+        # Condense each of the tallies to the coarse group structure
+        for tally in condensed_xs.tallies.values():
+
+            # Make condensed tally derived and null out sum, sum_sq
+            tally._derived = True
+            tally._sum = None
+            tally._sum_sq = None
+
+            # Get tally data arrays reshaped with one dimension per filter
+            mean = tally.get_reshaped_data(value='mean')
+            std_dev = tally.get_reshaped_data(value='std_dev')
+
+            # Sum across all applicable fine energy group filters
+            for i, tally_filter in enumerate(tally.filters):
+                if not isinstance(tally_filter, (openmc.EnergyFilter,
+                                                 openmc.EnergyoutFilter)):
+                    continue
+                elif len(tally_filter.bins) != len(fine_edges) - 1:
+                    continue
+                elif not np.allclose(tally_filter.bins[:, 0], fine_edges[:-1]):
+                    continue
+                else:
+                    cedge = coarse_groups.group_edges
+                    tally_filter.values = cedge
+                    tally_filter.bins = np.vstack((cedge[:-1], cedge[1:])).T
+                    mean = np.add.reduceat(mean, energy_indices, axis=i)
+                    std_dev = np.add.reduceat(std_dev**2, energy_indices,
+                                              axis=i)
+                    std_dev = np.sqrt(std_dev)
+
+            # Reshape condensed data arrays with one dimension for all filters
+            mean = np.reshape(mean, tally.shape)
+            std_dev = np.reshape(std_dev, tally.shape)
+
+            # Override tally's data with the new condensed data
+            tally._mean = mean
+            tally._std_dev = std_dev
+
+        # Compute the energy condensed multi-group cross section
+        condensed_xs.sparse = self.sparse
+        return condensed_xs
 
 class AbsorptionXS(MGXS):
     r"""An absorption multi-group cross section.

From 12db3d12ac2baca91683dff70edcc77a84f6ab5e Mon Sep 17 00:00:00 2001
From: Miriam Rathbun <miriamrathbun@Miriams-MacBook-Pro-2.local>
Date: Mon, 22 Nov 2021 22:56:13 -0700
Subject: [PATCH 0002/2654] Updated results from mgxs_library_condense to
 reflect new changes.

---
 .../mgxs_library_condense/results_true.dat       | 16 ++++++++--------
 1 file changed, 8 insertions(+), 8 deletions(-)

diff --git a/tests/regression_tests/mgxs_library_condense/results_true.dat b/tests/regression_tests/mgxs_library_condense/results_true.dat
index 349d9debe..ac0dd2163 100644
--- a/tests/regression_tests/mgxs_library_condense/results_true.dat
+++ b/tests/regression_tests/mgxs_library_condense/results_true.dat
@@ -214,16 +214,16 @@
 28      2  2  y-min out        1   total  4.548  0.156691
   mesh 1       group in nuclide      mean std. dev.
        x  y  z                                     
-0      1  1  1        1   total  0.757948  0.035459
-2      1  2  1        1   total  0.779112  0.047034
-1      2  1  1        1   total  0.787475  0.050368
-3      2  2  1        1   total  0.769656  0.058065
+0      1  1  1        1   total  0.931945  0.045510
+2      1  2  1        1   total  0.962029  0.072431
+1      2  1  1        1   total  0.971983  0.071094
+3      2  2  1        1   total  0.930013  0.102254
   mesh 1       group in nuclide      mean std. dev.
        x  y  z                                     
-0      1  1  1        1   total  0.757948  0.035459
-2      1  2  1        1   total  0.778934  0.047027
-1      2  1  1        1   total  0.787475  0.050368
-3      2  2  1        1   total  0.769656  0.058065
+0      1  1  1        1   total  0.931945  0.045510
+2      1  2  1        1   total  0.961685  0.072418
+1      2  1  1        1   total  0.971983  0.071094
+3      2  2  1        1   total  0.930013  0.102254
    mesh 1       delayedgroup group in nuclide      mean     std. dev.
         x  y  z                                                      
 0       1  1  1            1        1   total  0.000006  3.699363e-07

From ccec9ee7bfdaab126ca2a33020df6667618abf5b Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 11 Feb 2022 21:29:37 -0600
Subject: [PATCH 0003/2654] Optimization for complete list of bin indices

---
 openmc/tallies.py | 6 +++++-
 1 file changed, 5 insertions(+), 1 deletion(-)

diff --git a/openmc/tallies.py b/openmc/tallies.py
index c7bc35933..436e3189e 100644
--- a/openmc/tallies.py
+++ b/openmc/tallies.py
@@ -1110,7 +1110,11 @@ class Tally(IDManagerMixin):
                     bins = self_filter.bins
 
             # Add indices for each bin in this Filter to the list
-            indices = np.array([self_filter.get_bin_index(b) for b in bins])
+
+            if type(self_filter) in filters:
+                indices = np.array([self_filter.get_bin_index(b) for b in bins])
+            else:
+                indices = np.arange(len(bins))
             filter_indices.append(indices)
 
             # Account for stride in each of the previous filters

From 49d25ae8b6d9587ac9fac82ea453a36009be45c3 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Mon, 14 Feb 2022 11:42:23 -0600
Subject: [PATCH 0004/2654] Change version number to 0.13.1-dev

---
 CMakeLists.txt              | 2 +-
 docs/source/conf.py         | 2 +-
 include/openmc/version.h.in | 2 +-
 openmc/__init__.py          | 2 +-
 4 files changed, 4 insertions(+), 4 deletions(-)

diff --git a/CMakeLists.txt b/CMakeLists.txt
index cfffbdccc..a01d02fb3 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -4,7 +4,7 @@ project(openmc C CXX)
 # Set version numbers
 set(OPENMC_VERSION_MAJOR 0)
 set(OPENMC_VERSION_MINOR 13)
-set(OPENMC_VERSION_RELEASE 0)
+set(OPENMC_VERSION_RELEASE 1)
 set(OPENMC_VERSION ${OPENMC_VERSION_MAJOR}.${OPENMC_VERSION_MINOR}.${OPENMC_VERSION_RELEASE})
 configure_file(include/openmc/version.h.in "${CMAKE_BINARY_DIR}/include/openmc/version.h" @ONLY)
 
diff --git a/docs/source/conf.py b/docs/source/conf.py
index fb12a4f56..ed36a9c28 100644
--- a/docs/source/conf.py
+++ b/docs/source/conf.py
@@ -71,7 +71,7 @@ copyright = '2011-2022, Massachusetts Institute of Technology, UChicago Argonne
 # The short X.Y version.
 version = "0.13"
 # The full version, including alpha/beta/rc tags.
-release = "0.13.0"
+release = "0.13.1-dev"
 
 # The language for content autogenerated by Sphinx. Refer to documentation
 # for a list of supported languages.
diff --git a/include/openmc/version.h.in b/include/openmc/version.h.in
index 98f431288..2933746e2 100644
--- a/include/openmc/version.h.in
+++ b/include/openmc/version.h.in
@@ -7,7 +7,7 @@ namespace openmc {
 constexpr int VERSION_MAJOR {@OPENMC_VERSION_MAJOR@};
 constexpr int VERSION_MINOR {@OPENMC_VERSION_MINOR@};
 constexpr int VERSION_RELEASE {@OPENMC_VERSION_RELEASE@};
-constexpr bool VERSION_DEV {false};
+constexpr bool VERSION_DEV {true};
 constexpr std::array<int, 3> VERSION {VERSION_MAJOR, VERSION_MINOR, VERSION_RELEASE};
 // clang-format on
 
diff --git a/openmc/__init__.py b/openmc/__init__.py
index d7bcdffff..0a11fbf53 100644
--- a/openmc/__init__.py
+++ b/openmc/__init__.py
@@ -36,4 +36,4 @@ from . import examples
 from openmc.model import rectangular_prism, hexagonal_prism, Model
 
 
-__version__ = '0.13.0'
+__version__ = '0.13.1-dev'

From 6dadcc9c032f8f284392acc3c6dc2dd213c73cc6 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Mon, 14 Feb 2022 11:42:41 -0600
Subject: [PATCH 0005/2654] Fix latexpdf doc build (missing unicode character
 conversion)

---
 docs/source/conf.py | 1 +
 1 file changed, 1 insertion(+)

diff --git a/docs/source/conf.py b/docs/source/conf.py
index ed36a9c28..a7a3c803a 100644
--- a/docs/source/conf.py
+++ b/docs/source/conf.py
@@ -215,6 +215,7 @@ latex_elements = {
 \setcounter{tocdepth}{2}
 \numberwithin{equation}{section}
 \DeclareUnicodeCharacter{03B1}{$\alpha$}
+\DeclareUnicodeCharacter{03C0}{$\pi$}
 """,
 'printindex': r""
 }

From 1da0eac5d580d4908ebc2e7afdb21fab8402e0ea Mon Sep 17 00:00:00 2001
From: Jonathan <mail@jshimwell.com>
Date: Mon, 14 Feb 2022 23:36:14 +0000
Subject: [PATCH 0006/2654] minor typo fix

---
 docs/source/capi/index.rst                | 2 +-
 docs/source/devguide/workflow.rst         | 4 ++--
 docs/source/io_formats/geometry.rst       | 2 +-
 docs/source/io_formats/statepoint.rst     | 2 +-
 docs/source/methods/cmfd.rst              | 4 ++--
 docs/source/methods/cross_sections.rst    | 2 +-
 docs/source/methods/energy_deposition.rst | 2 +-
 docs/source/methods/introduction.rst      | 2 +-
 docs/source/methods/neutron_physics.rst   | 2 +-
 docs/source/methods/parallelization.rst   | 4 ++--
 10 files changed, 13 insertions(+), 13 deletions(-)

diff --git a/docs/source/capi/index.rst b/docs/source/capi/index.rst
index eb6493e0e..222f81c4b 100644
--- a/docs/source/capi/index.rst
+++ b/docs/source/capi/index.rst
@@ -355,7 +355,7 @@ Functions
    Get density of a material.
 
    :param int32_t index: Index in the materials array
-   :param double* denity: Pointer to a density
+   :param double* density: Pointer to a density
    :return: Return status (negative if an error occurs)
    :rtype: int
 
diff --git a/docs/source/devguide/workflow.rst b/docs/source/devguide/workflow.rst
index 57f2b1c68..3bad04cae 100644
--- a/docs/source/devguide/workflow.rst
+++ b/docs/source/devguide/workflow.rst
@@ -4,7 +4,7 @@
 Development Workflow
 ====================
 
-Anyone wishing to make contributions to OpenMC should be fully acquianted and
+Anyone wishing to make contributions to OpenMC should be fully acquainted and
 comfortable working with git_ and GitHub_. We assume here that you have git
 installed on your system, have a GitHub account, and have setup SSH keys to be
 able to create/push to repositories on GitHub.
@@ -81,7 +81,7 @@ features and bug fixes. The general steps for contributing are as follows:
    openmc-dev/openmc as the target.
 
    At a minimum, you should describe what the changes you've made are and why
-   you are making them. If the changes are related to an oustanding issue, make
+   you are making them. If the changes are related to an outstanding issue, make
    sure it is cross-referenced.
 
 5. A committer will review your pull request based on the criteria
diff --git a/docs/source/io_formats/geometry.rst b/docs/source/io_formats/geometry.rst
index ff2f6eb74..ac48e48d2 100644
--- a/docs/source/io_formats/geometry.rst
+++ b/docs/source/io_formats/geometry.rst
@@ -48,7 +48,7 @@ Each ``<surface>`` element can have the following attributes or sub-elements:
 
   :periodic_surface_id:
      If a periodic boundary condition is applied, this attribute identifies the
-     ``id`` of the corresponding periodic sufrace.
+     ``id`` of the corresponding periodic surface.
 
 The following quadratic surfaces can be modeled:
 
diff --git a/docs/source/io_formats/statepoint.rst b/docs/source/io_formats/statepoint.rst
index 591dc2777..f96d7181d 100644
--- a/docs/source/io_formats/statepoint.rst
+++ b/docs/source/io_formats/statepoint.rst
@@ -149,7 +149,7 @@ All values are given in seconds and are measured on the master process.
              finalization.
            - **transport** (*double*) -- Time spent transporting particles.
            - **inactive batches** (*double*) -- Time spent in the inactive
-             batches (including non-transport activities like communcating
+             batches (including non-transport activities like communicating
              sites).
            - **active batches** (*double*) -- Time spent in the active batches
              (including non-transport activities like communicating sites).
diff --git a/docs/source/methods/cmfd.rst b/docs/source/methods/cmfd.rst
index 344a4cc1a..66d545ac1 100644
--- a/docs/source/methods/cmfd.rst
+++ b/docs/source/methods/cmfd.rst
@@ -266,11 +266,11 @@ and eq. :eq:`eq_cell_bound` can be written in this generic form,
 
 The parameter :math:`\widetilde{D}_{l,m,n}^{u,g}` represents the linear
 coupling term between current and flux. These current relationships can be
-sustituted into eq. :eq:`eq_neut_bal` to produce a linear system of multigroup
+substituted into eq. :eq:`eq_neut_bal` to produce a linear system of multigroup
 diffusion equations for each spatial cell and energy group. However, a solution
 to these equations is not consistent with a higher order transport solution
 unless equivalence factors are present. This is because both the diffusion
-approximation, governed by Fick's Law, and spatial trunction error will produce
+approximation, governed by Fick's Law, and spatial truncation error will produce
 differences. Therefore, a nonlinear parameter,
 :math:`\widehat{D}_{l,m,n}^{u,g}`, is added to eqs. :eq:`eq_cell_cell` and
 :eq:`eq_cell_bound`. These equations are, respectively,
diff --git a/docs/source/methods/cross_sections.rst b/docs/source/methods/cross_sections.rst
index c6d1f44f4..2210dfa45 100644
--- a/docs/source/methods/cross_sections.rst
+++ b/docs/source/methods/cross_sections.rst
@@ -9,7 +9,7 @@ Continuous-Energy Data
 ----------------------
 
 In OpenMC, the data governing the interaction of neutrons with various nuclei
-for continous-energy problems are represented using an HDF5 format that can be
+for continuous-energy problems are represented using an HDF5 format that can be
 produced by converting files in the ACE format, which is used by MCNP_ and
 Serpent_. ACE-format data can be generated with the NJOY_ nuclear data
 processing system, which converts raw `ENDF/B data`_ into linearly-interpolable
diff --git a/docs/source/methods/energy_deposition.rst b/docs/source/methods/energy_deposition.rst
index fbcccc26b..4675aee3f 100644
--- a/docs/source/methods/energy_deposition.rst
+++ b/docs/source/methods/energy_deposition.rst
@@ -7,7 +7,7 @@ Heating and Energy Deposition
 As particles traverse a problem, some portion of their energy is deposited at
 collision sites. This energy is deposited when charged particles, including
 electrons and recoil nuclei, undergo electromagnetic interactions with
-surrounding electons and ions. The information describing how much energy
+surrounding electrons and ions. The information describing how much energy
 is deposited for a specific reaction is referred to as
 "heating numbers" and can be computed using a program like NJOY with the
 ``heatr`` module.
diff --git a/docs/source/methods/introduction.rst b/docs/source/methods/introduction.rst
index 924d4858d..eacdd70f5 100644
--- a/docs/source/methods/introduction.rst
+++ b/docs/source/methods/introduction.rst
@@ -45,7 +45,7 @@ following steps:
 
   - Initialize the pseudorandom number generator.
 
-  - Read the contiuous-energy or multi-group cross section data specified in
+  - Read the continuous-energy or multi-group cross section data specified in
     the problem.
 
   - If using a special energy grid treatment such as a union energy grid or
diff --git a/docs/source/methods/neutron_physics.rst b/docs/source/methods/neutron_physics.rst
index 7c1490647..e9061eea1 100644
--- a/docs/source/methods/neutron_physics.rst
+++ b/docs/source/methods/neutron_physics.rst
@@ -182,7 +182,7 @@ Inelastic Scattering
 --------------------
 
 Note that the multi-group mode makes no distinction between elastic or
-inelastic scattering reactions. The spceific multi-group scattering
+inelastic scattering reactions. The specific multi-group scattering
 implementation is discussed in the :ref:`multi-group-scatter` section.
 
 The major algorithms for inelastic scattering were described in previous
diff --git a/docs/source/methods/parallelization.rst b/docs/source/methods/parallelization.rst
index 29748807a..d9fc15c9f 100644
--- a/docs/source/methods/parallelization.rst
+++ b/docs/source/methods/parallelization.rst
@@ -293,7 +293,7 @@ Cost of Nearest Neighbor Algorithm
 ----------------------------------
 
 With the communication cost of the traditional fission bank algorithm
-quantified, we now proceed to discuss the communicatin cost of the proposed
+quantified, we now proceed to discuss the communication cost of the proposed
 algorithm. Comparing the cost of communication of this algorithm with the
 traditional algorithm is not trivial due to fact that the cost will be a
 function of how many fission sites are sampled on each node. If each node
@@ -398,7 +398,7 @@ equation :eq:`k-to-source`, we can relate the stochastic eigenvalue to the
 integral of the noise component of the source distribution as
 
 .. math::
-    :label: noise-integeral
+    :label: noise-integral
 
     N\hat{k} = Nk + \sqrt{N} \int \hat{\epsilon}(\mathbf{r}) \: d\mathbf{r}.
 

From 03fe9d3200bd61965dc738911652b98df85fcb7d Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 13 Jan 2022 18:32:17 -0600
Subject: [PATCH 0007/2654] Don't modify wgt_last in russian_roulette

---
 src/physics_common.cpp | 4 +---
 1 file changed, 1 insertion(+), 3 deletions(-)

diff --git a/src/physics_common.cpp b/src/physics_common.cpp
index f6820f81f..964678fbe 100644
--- a/src/physics_common.cpp
+++ b/src/physics_common.cpp
@@ -12,12 +12,10 @@ namespace openmc {
 void russian_roulette(Particle& p)
 {
   if (p.wgt() < settings::weight_cutoff) {
-    if (prn(p.current_seed()) < p.wgt() / settings::weight_survive) {
+    if (settings::weight_survive * prn(p.current_seed()) < p.wgt()) {
       p.wgt() = settings::weight_survive;
-      p.wgt_last() = p.wgt();
     } else {
       p.wgt() = 0.;
-      p.wgt_last() = 0.;
       p.alive() = false;
     }
   }

From f741568d06028eee5499ca8a01201680b11d092d Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Sun, 16 Jan 2022 14:12:45 -0600
Subject: [PATCH 0008/2654] Don't modify wgt_last in survival biasing

---
 src/physics.cpp                               |   1 -
 src/physics_mg.cpp                            |   1 -
 src/tallies/tally_scoring.cpp                 | 211 +++++++-----------
 .../regression_tests/tallies/results_true.dat |   2 +-
 4 files changed, 83 insertions(+), 132 deletions(-)

diff --git a/src/physics.cpp b/src/physics.cpp
index 196c7dc3b..f6fc31cb9 100644
--- a/src/physics.cpp
+++ b/src/physics.cpp
@@ -631,7 +631,6 @@ void absorption(Particle& p, int i_nuclide)
 
     // Adjust weight of particle by probability of absorption
     p.wgt() -= p.wgt_absorb();
-    p.wgt_last() = p.wgt();
 
     // Score implicit absorption estimate of keff
     if (settings::run_mode == RunMode::EIGENVALUE) {
diff --git a/src/physics_mg.cpp b/src/physics_mg.cpp
index eaf13b441..ce7db3faf 100644
--- a/src/physics_mg.cpp
+++ b/src/physics_mg.cpp
@@ -220,7 +220,6 @@ void absorption(Particle& p)
 
     // Adjust weight of particle by the probability of absorption
     p.wgt() -= p.wgt_absorb();
-    p.wgt_last() = p.wgt();
 
     // Score implicit absorpion estimate of keff
     p.keff_tally_absorption() +=
diff --git a/src/tallies/tally_scoring.cpp b/src/tallies/tally_scoring.cpp
index fd7509166..8c91314aa 100644
--- a/src/tallies/tally_scoring.cpp
+++ b/src/tallies/tally_scoring.cpp
@@ -203,10 +203,10 @@ double score_fission_q(const Particle& p, int score_bin, const Tally& tally,
       // No fission events occur if survival biasing is on -- need to
       // calculate fraction of absorptions that would have resulted in
       // fission scaled by the Q-value
-      if (p.neutron_xs(p.event_nuclide()).absorption > 0) {
-        return p.wgt_absorb() * get_nuc_fission_q(nuc, p, score_bin) *
+      if (p.neutron_xs(p.event_nuclide()).total > 0) {
+        return p.wgt_last() * get_nuc_fission_q(nuc, p, score_bin) *
                p.neutron_xs(p.event_nuclide()).fission * flux /
-               p.neutron_xs(p.event_nuclide()).absorption;
+               p.neutron_xs(p.event_nuclide()).total;
       }
     } else {
       // Skip any non-absorption events
@@ -291,7 +291,6 @@ double get_nuclide_neutron_heating(
 double score_neutron_heating(const Particle& p, const Tally& tally, double flux,
   int rxn_bin, int i_nuclide, double atom_density)
 {
-  double score;
   // Get heating macroscopic "cross section"
   double heating_xs;
   if (i_nuclide >= 0) {
@@ -318,17 +317,12 @@ double score_neutron_heating(const Particle& p, const Tally& tally, double flux,
       }
     }
   }
-  score = heating_xs * flux;
+  double score = heating_xs * flux;
   if (tally.estimator_ == TallyEstimator::ANALOG) {
     // All events score to a heating tally bin. We actually use a
     // collision estimator in place of an analog one since there is no
     // reaction-wise heating cross section
-    if (settings::survival_biasing) {
-      // Account for the fact that some weight has been absorbed
-      score *= p.wgt_last() + p.wgt_absorb();
-    } else {
-      score *= p.wgt_last();
-    }
+    score *= p.wgt_last();
   }
   return score;
 }
@@ -565,16 +559,8 @@ void score_general_ce(Particle& p, int i_tally, int start_index,
         // All events score to a flux bin. We actually use a collision estimator
         // in place of an analog one since there is no way to count 'events'
         // exactly for the flux
-        if (settings::survival_biasing) {
-          // We need to account for the fact that some weight was already
-          // absorbed
-          score = p.wgt_last() + p.wgt_absorb();
-        } else {
-          score = p.wgt_last();
-        }
-
         if (p.type() == Type::neutron || p.type() == Type::photon) {
-          score *= flux / p.macro_xs().total;
+          score = flux * p.wgt_last() / p.macro_xs().total;
         } else {
           score = 0.;
         }
@@ -587,13 +573,7 @@ void score_general_ce(Particle& p, int i_tally, int start_index,
       if (tally.estimator_ == TallyEstimator::ANALOG) {
         // All events will score to the total reaction rate. We can just use
         // use the weight of the particle entering the collision as the score
-        if (settings::survival_biasing) {
-          // We need to account for the fact that some weight was already
-          // absorbed
-          score = (p.wgt_last() + p.wgt_absorb()) * flux;
-        } else {
-          score = p.wgt_last() * flux;
-        }
+        score = p.wgt_last() * flux;
 
       } else {
         if (i_nuclide >= 0) {
@@ -616,14 +596,7 @@ void score_general_ce(Particle& p, int i_tally, int start_index,
         // All events score to an inverse velocity bin. We actually use a
         // collision estimator in place of an analog one since there is no way
         // to count 'events' exactly for the inverse velocity
-        if (settings::survival_biasing) {
-          // We need to account for the fact that some weight was already
-          // absorbed
-          score = p.wgt_last() + p.wgt_absorb();
-        } else {
-          score = p.wgt_last();
-        }
-        score *= flux / p.macro_xs().total;
+        score = flux * p.wgt_last() / p.macro_xs().total;
       } else {
         score = flux;
       }
@@ -641,7 +614,7 @@ void score_general_ce(Particle& p, int i_tally, int start_index,
           continue;
         // Since only scattering events make it here, again we can use the
         // weight entering the collision as the estimator for the reaction rate
-        score = p.wgt_last() * flux;
+        score = (p.wgt_last() - p.wgt_absorb()) * flux;
       } else {
         if (i_nuclide >= 0) {
           if (p.type() == Type::neutron) {
@@ -672,17 +645,17 @@ void score_general_ce(Particle& p, int i_tally, int start_index,
       // For scattering production, we need to use the pre-collision weight
       // times the yield as the estimate for the number of neutrons exiting a
       // reaction with neutrons in the exit channel
-      if (p.event_mt() == ELASTIC || p.event_mt() == N_LEVEL ||
-          (p.event_mt() >= N_N1 && p.event_mt() <= N_NC)) {
-        // Don't waste time on very common reactions we know have
-        // multiplicities of one.
-        score = p.wgt_last() * flux;
-      } else {
+      score = (p.wgt_last() - p.wgt_absorb()) * flux;
+
+      // Don't waste time on very common reactions we know have multiplicities
+      // of one.
+      if (p.event_mt() != ELASTIC && p.event_mt() != N_LEVEL &&
+          !(p.event_mt() >= N_N1 && p.event_mt() <= N_NC)) {
         // Get yield and apply to score
         auto m =
           data::nuclides[p.event_nuclide()]->reaction_index_[p.event_mt()];
         const auto& rxn {*data::nuclides[p.event_nuclide()]->reactions_[m]};
-        score = p.wgt_last() * flux * (*rxn.products_[0].yield_)(E);
+        score *= (*rxn.products_[0].yield_)(E);
       }
       break;
 
@@ -725,16 +698,15 @@ void score_general_ce(Particle& p, int i_tally, int start_index,
       break;
 
     case SCORE_FISSION:
-      if (p.macro_xs().absorption == 0)
+      if (p.macro_xs().fission == 0)
         continue;
       if (tally.estimator_ == TallyEstimator::ANALOG) {
         if (settings::survival_biasing) {
-          // No fission events occur if survival biasing is on -- need to
-          // calculate fraction of absorptions that would have resulted in
-          // fission
-          if (p.neutron_xs(p.event_nuclide()).absorption > 0) {
-            score = p.wgt_absorb() * p.neutron_xs(p.event_nuclide()).fission /
-                    p.neutron_xs(p.event_nuclide()).absorption * flux;
+          // No fission events occur if survival biasing is on -- use collision
+          // estimator instead
+          if (p.neutron_xs(p.event_nuclide()).total > 0) {
+            score = p.wgt_last() * p.neutron_xs(p.event_nuclide()).fission /
+                    p.neutron_xs(p.event_nuclide()).total * flux;
           } else {
             score = 0.;
           }
@@ -758,7 +730,7 @@ void score_general_ce(Particle& p, int i_tally, int start_index,
       break;
 
     case SCORE_NU_FISSION:
-      if (p.macro_xs().absorption == 0)
+      if (p.macro_xs().fission == 0)
         continue;
       if (tally.estimator_ == TallyEstimator::ANALOG) {
         if (settings::survival_biasing || p.fission()) {
@@ -770,13 +742,11 @@ void score_general_ce(Particle& p, int i_tally, int start_index,
           }
         }
         if (settings::survival_biasing) {
-          // No fission events occur if survival biasing is on -- need to
-          // calculate fraction of absorptions that would have resulted in
-          // nu-fission
-          if (p.neutron_xs(p.event_nuclide()).absorption > 0) {
-            score = p.wgt_absorb() *
-                    p.neutron_xs(p.event_nuclide()).nu_fission /
-                    p.neutron_xs(p.event_nuclide()).absorption * flux;
+          // No fission events occur if survival biasing is on -- use collision
+          // estimator instead
+          if (p.neutron_xs(p.event_nuclide()).total > 0) {
+            score = p.wgt_last() * p.neutron_xs(p.event_nuclide()).nu_fission /
+                    p.neutron_xs(p.event_nuclide()).total * flux;
           } else {
             score = 0.;
           }
@@ -801,7 +771,7 @@ void score_general_ce(Particle& p, int i_tally, int start_index,
       break;
 
     case SCORE_PROMPT_NU_FISSION:
-      if (p.macro_xs().absorption == 0)
+      if (p.macro_xs().fission == 0)
         continue;
       if (tally.estimator_ == TallyEstimator::ANALOG) {
         if (settings::survival_biasing || p.fission()) {
@@ -816,11 +786,11 @@ void score_general_ce(Particle& p, int i_tally, int start_index,
           // No fission events occur if survival biasing is on -- need to
           // calculate fraction of absorptions that would have resulted in
           // prompt-nu-fission
-          if (p.neutron_xs(p.event_nuclide()).absorption > 0) {
-            score = p.wgt_absorb() * p.neutron_xs(p.event_nuclide()).fission *
+          if (p.neutron_xs(p.event_nuclide()).total > 0) {
+            score = p.wgt_last() * p.neutron_xs(p.event_nuclide()).fission *
                     data::nuclides[p.event_nuclide()]->nu(
                       E, ReactionProduct::EmissionMode::prompt) /
-                    p.neutron_xs(p.event_nuclide()).absorption * flux;
+                    p.neutron_xs(p.event_nuclide()).total * flux;
           } else {
             score = 0.;
           }
@@ -863,7 +833,7 @@ void score_general_ce(Particle& p, int i_tally, int start_index,
       break;
 
     case SCORE_DELAYED_NU_FISSION:
-      if (p.macro_xs().absorption == 0)
+      if (p.macro_xs().fission == 0)
         continue;
       if (tally.estimator_ == TallyEstimator::ANALOG) {
         if (settings::survival_biasing || p.fission()) {
@@ -878,7 +848,7 @@ void score_general_ce(Particle& p, int i_tally, int start_index,
           // No fission events occur if survival biasing is on -- need to
           // calculate fraction of absorptions that would have resulted in
           // delayed-nu-fission
-          if (p.neutron_xs(p.event_nuclide()).absorption > 0 &&
+          if (p.neutron_xs(p.event_nuclide()).total > 0 &&
               data::nuclides[p.event_nuclide()]->fissionable_) {
             if (tally.delayedgroup_filter_ != C_NONE) {
               auto i_dg_filt = tally.filters()[tally.delayedgroup_filter_];
@@ -890,9 +860,9 @@ void score_general_ce(Particle& p, int i_tally, int start_index,
                 auto dg = filt.groups()[d_bin];
                 auto yield = data::nuclides[p.event_nuclide()]->nu(
                   E, ReactionProduct::EmissionMode::delayed, dg);
-                score = p.wgt_absorb() * yield *
+                score = p.wgt_last() * yield *
                         p.neutron_xs(p.event_nuclide()).fission /
-                        p.neutron_xs(p.event_nuclide()).absorption * flux;
+                        p.neutron_xs(p.event_nuclide()).total * flux;
                 score_fission_delayed_dg(
                   i_tally, d_bin, score, score_index, p.filter_matches());
               }
@@ -901,10 +871,10 @@ void score_general_ce(Particle& p, int i_tally, int start_index,
               // If the delayed group filter is not present, compute the score
               // by multiplying the absorbed weight by the fraction of the
               // delayed-nu-fission xs to the absorption xs
-              score = p.wgt_absorb() * p.neutron_xs(p.event_nuclide()).fission *
+              score = p.wgt_last() * p.neutron_xs(p.event_nuclide()).fission *
                       data::nuclides[p.event_nuclide()]->nu(
                         E, ReactionProduct::EmissionMode::delayed) /
-                      p.neutron_xs(p.event_nuclide()).absorption * flux;
+                      p.neutron_xs(p.event_nuclide()).total * flux;
             }
           }
         } else {
@@ -1007,7 +977,7 @@ void score_general_ce(Particle& p, int i_tally, int start_index,
       break;
 
     case SCORE_DECAY_RATE:
-      if (p.macro_xs().absorption == 0)
+      if (p.macro_xs().fission == 0)
         continue;
       if (tally.estimator_ == TallyEstimator::ANALOG) {
         if (settings::survival_biasing) {
@@ -1015,8 +985,7 @@ void score_general_ce(Particle& p, int i_tally, int start_index,
           // calculate fraction of absorptions that would have resulted in
           // delayed-nu-fission
           const auto& nuc {*data::nuclides[p.event_nuclide()]};
-          if (p.neutron_xs(p.event_nuclide()).absorption > 0 &&
-              nuc.fissionable_) {
+          if (p.neutron_xs(p.event_nuclide()).total > 0 && nuc.fissionable_) {
             const auto& rxn {*nuc.fission_rx_[0]};
             if (tally.delayedgroup_filter_ != C_NONE) {
               auto i_dg_filt = tally.filters()[tally.delayedgroup_filter_];
@@ -1029,10 +998,9 @@ void score_general_ce(Particle& p, int i_tally, int start_index,
                 auto yield =
                   nuc.nu(E, ReactionProduct::EmissionMode::delayed, d);
                 auto rate = rxn.products_[d].decay_rate_;
-                score = p.wgt_absorb() * yield *
+                score = p.wgt_last() * yield *
                         p.neutron_xs(p.event_nuclide()).fission /
-                        p.neutron_xs(p.event_nuclide()).absorption * rate *
-                        flux;
+                        p.neutron_xs(p.event_nuclide()).total * rate * flux;
                 score_fission_delayed_dg(
                   i_tally, d_bin, score, score_index, p.filter_matches());
               }
@@ -1048,13 +1016,17 @@ void score_general_ce(Particle& p, int i_tally, int start_index,
               // rxn.products_ array to be exceeded. Hence, we use the size
               // of this array and not the MAX_DELAYED_GROUPS constant for
               // this loop.
-              for (auto d = 0; d < rxn.products_.size() - 2; ++d) {
+              for (auto d = 1; d < rxn.products_.size(); ++d) {
+                const auto& product = rxn.products_[d];
+                if (product.particle_ != Type::neutron)
+                  continue;
+
                 auto yield =
-                  nuc.nu(E, ReactionProduct::EmissionMode::delayed, d + 1);
-                auto rate = rxn.products_[d + 1].decay_rate_;
-                score += rate * p.wgt_absorb() *
+                  nuc.nu(E, ReactionProduct::EmissionMode::delayed, d);
+                auto rate = product.decay_rate_;
+                score += rate * p.wgt_last() *
                          p.neutron_xs(p.event_nuclide()).fission * yield /
-                         p.neutron_xs(p.event_nuclide()).absorption * flux;
+                         p.neutron_xs(p.event_nuclide()).total * flux;
               }
             }
           }
@@ -1123,10 +1095,13 @@ void score_general_ce(Particle& p, int i_tally, int start_index,
             // rxn.products_ array to be exceeded. Hence, we use the size
             // of this array and not the MAX_DELAYED_GROUPS constant for
             // this loop.
-            for (auto d = 0; d < rxn.products_.size() - 2; ++d) {
-              auto yield =
-                nuc.nu(E, ReactionProduct::EmissionMode::delayed, d + 1);
-              auto rate = rxn.products_[d + 1].decay_rate_;
+            for (auto d = 1; d < rxn.products_.size(); ++d) {
+              const auto& product = rxn.products_[d];
+              if (product.particle_ != Type::neutron)
+                continue;
+
+              auto yield = nuc.nu(E, ReactionProduct::EmissionMode::delayed, d);
+              auto rate = product.decay_rate_;
               score += p.neutron_xs(i_nuclide).fission * flux * yield *
                        atom_density * rate;
             }
@@ -1174,10 +1149,14 @@ void score_general_ce(Particle& p, int i_tally, int start_index,
                   // rxn.products_ array to be exceeded. Hence, we use the size
                   // of this array and not the MAX_DELAYED_GROUPS constant for
                   // this loop.
-                  for (auto d = 0; d < rxn.products_.size() - 2; ++d) {
+                  for (auto d = 1; d < rxn.products_.size(); ++d) {
+                    const auto& product = rxn.products_[d];
+                    if (product.particle_ != Type::neutron)
+                      continue;
+
                     auto yield =
-                      nuc.nu(E, ReactionProduct::EmissionMode::delayed, d + 1);
-                    auto rate = rxn.products_[d + 1].decay_rate_;
+                      nuc.nu(E, ReactionProduct::EmissionMode::delayed, d);
+                    auto rate = product.decay_rate_;
                     score += p.neutron_xs(j_nuclide).fission * yield *
                              atom_density * flux * rate;
                   }
@@ -1190,7 +1169,7 @@ void score_general_ce(Particle& p, int i_tally, int start_index,
       break;
 
     case SCORE_KAPPA_FISSION:
-      if (p.macro_xs().absorption == 0.)
+      if (p.macro_xs().fission == 0.)
         continue;
       score = 0.;
       // Kappa-fission values are determined from the Q-value listed for the
@@ -1201,12 +1180,11 @@ void score_general_ce(Particle& p, int i_tally, int start_index,
           // calculate fraction of absorptions that would have resulted in
           // fission scaled by the Q-value
           const auto& nuc {*data::nuclides[p.event_nuclide()]};
-          if (p.neutron_xs(p.event_nuclide()).absorption > 0 &&
-              nuc.fissionable_) {
+          if (p.neutron_xs(p.event_nuclide()).total > 0 && nuc.fissionable_) {
             const auto& rxn {*nuc.fission_rx_[0]};
-            score = p.wgt_absorb() * rxn.q_value_ *
+            score = p.wgt_last() * rxn.q_value_ *
                     p.neutron_xs(p.event_nuclide()).fission /
-                    p.neutron_xs(p.event_nuclide()).absorption * flux;
+                    p.neutron_xs(p.event_nuclide()).total * flux;
           }
         } else {
           // Skip any non-absorption events
@@ -1262,7 +1240,7 @@ void score_general_ce(Particle& p, int i_tally, int start_index,
         // Check if event MT matches
         if (p.event_mt() != ELASTIC)
           continue;
-        score = p.wgt_last() * flux;
+        score = (p.wgt_last() - p.wgt_absorb()) * flux;
       } else {
         if (i_nuclide >= 0) {
           if (p.neutron_xs(i_nuclide).elastic == CACHE_INVALID)
@@ -1286,7 +1264,7 @@ void score_general_ce(Particle& p, int i_tally, int start_index,
 
     case SCORE_FISS_Q_PROMPT:
     case SCORE_FISS_Q_RECOV:
-      if (p.macro_xs().absorption == 0.)
+      if (p.macro_xs().fission == 0.)
         continue;
       score =
         score_fission_q(p, score_bin, tally, flux, i_nuclide, atom_density);
@@ -1311,7 +1289,7 @@ void score_general_ce(Particle& p, int i_tally, int start_index,
         // Check if the event MT matches
         if (p.event_mt() != score_bin)
           continue;
-        score = p.wgt_last() * flux;
+        score = (p.wgt_last() - p.wgt_absorb()) * flux;
       } else {
         int m;
         switch (score_bin) {
@@ -1423,12 +1401,11 @@ void score_general_ce(Particle& p, int i_tally, int start_index,
         continue;
 
       if (tally.estimator_ == TallyEstimator::ANALOG) {
-
         // Any other score is assumed to be a MT number. Thus, we just need
         // to check if it matches the MT number of the event
         if (p.event_mt() != score_bin)
           continue;
-        score = p.wgt_last() * flux;
+        score = (p.wgt_last() - p.wgt_absorb()) * flux;
       } else {
         // Any other cross section has to be calculated on-the-fly
         if (score_bin < 2)
@@ -1532,14 +1509,7 @@ void score_general_mg(Particle& p, int i_tally, int start_index,
         // All events score to a flux bin. We actually use a collision estimator
         // in place of an analog one since there is no way to count 'events'
         // exactly for the flux
-        if (settings::survival_biasing) {
-          // We need to account for the fact that some weight was already
-          // absorbed
-          score = p.wgt_last() + p.wgt_absorb();
-        } else {
-          score = p.wgt_last();
-        }
-        score *= flux / p.macro_xs().total;
+        score = flux * p.wgt_last() / p.macro_xs().total;
       } else {
         score = flux;
       }
@@ -1549,16 +1519,9 @@ void score_general_mg(Particle& p, int i_tally, int start_index,
       if (tally.estimator_ == TallyEstimator::ANALOG) {
         // All events will score to the total reaction rate. We can just use
         // use the weight of the particle entering the collision as the score
-        if (settings::survival_biasing) {
-          // We need to account for the fact that some weight was already
-          // absorbed
-          score = p.wgt_last() + p.wgt_absorb();
-        } else {
-          score = p.wgt_last();
-        }
-        // TODO: should flux be multiplied in above instead of below?
+        score = flux * p.wgt_last();
         if (i_nuclide >= 0) {
-          score *= flux * atom_density * nuc_xs.get_xs(MgxsType::TOTAL, p_g) /
+          score *= atom_density * nuc_xs.get_xs(MgxsType::TOTAL, p_g) /
                    macro_xs.get_xs(MgxsType::TOTAL, p_g);
         }
       } else {
@@ -1576,18 +1539,12 @@ void score_general_mg(Particle& p, int i_tally, int start_index,
         // All events score to an inverse velocity bin. We actually use a
         // collision estimator in place of an analog one since there is no way
         // to count 'events' exactly for the inverse velocity
-        if (settings::survival_biasing) {
-          // We need to account for the fact that some weight was already
-          // absorbed
-          score = p.wgt_last() + p.wgt_absorb();
-        } else {
-          score = p.wgt_last();
-        }
+        score = flux * p.wgt_last();
         if (i_nuclide >= 0) {
-          score *= flux * nuc_xs.get_xs(MgxsType::INVERSE_VELOCITY, p_g) /
+          score *= nuc_xs.get_xs(MgxsType::INVERSE_VELOCITY, p_g) /
                    macro_xs.get_xs(MgxsType::TOTAL, p_g);
         } else {
-          score *= flux * macro_xs.get_xs(MgxsType::INVERSE_VELOCITY, p_g) /
+          score *= macro_xs.get_xs(MgxsType::INVERSE_VELOCITY, p_g) /
                    macro_xs.get_xs(MgxsType::TOTAL, p_g);
         }
       } else {
@@ -1606,7 +1563,7 @@ void score_general_mg(Particle& p, int i_tally, int start_index,
           continue;
         // Since only scattering events make it here, again we can use the
         // weight entering the collision as the estimator for the reaction rate
-        score = p.wgt_last() * flux;
+        score = (p.wgt_last() - p.wgt_absorb()) * flux;
         if (i_nuclide >= 0) {
           score *= atom_density *
                    nuc_xs.get_xs(MgxsType::SCATTER_FMU, p.g_last(), &p.g(),
@@ -1634,7 +1591,7 @@ void score_general_mg(Particle& p, int i_tally, int start_index,
         // For scattering production, we need to use the pre-collision weight
         // times the multiplicity as the estimate for the number of neutrons
         // exiting a reaction with neutrons in the exit channel
-        score = p.wgt() * flux;
+        score = (p.wgt_last() - p.wgt_absorb()) * flux;
         // Since we transport based on material data, the angle selected
         // was not selected from the f(mu) for the nuclide.  Therefore
         // adjust the score by the actual probability for that nuclide.
@@ -2362,11 +2319,7 @@ void score_collision_tally(Particle& p)
   // Determine the collision estimate of the flux
   double flux = 0.0;
   if (p.type() == ParticleType::neutron || p.type() == ParticleType::photon) {
-    if (!settings::survival_biasing) {
-      flux = p.wgt_last() / p.macro_xs().total;
-    } else {
-      flux = (p.wgt_last() + p.wgt_absorb()) / p.macro_xs().total;
-    }
+    flux = p.wgt_last() / p.macro_xs().total;
   }
 
   for (auto i_tally : model::active_collision_tallies) {
diff --git a/tests/regression_tests/tallies/results_true.dat b/tests/regression_tests/tallies/results_true.dat
index c73ff33a4..6ff900331 100644
--- a/tests/regression_tests/tallies/results_true.dat
+++ b/tests/regression_tests/tallies/results_true.dat
@@ -1 +1 @@
-de09325b517aad9f58940e5fcd53b005c57ea008a15699769ab91aba723de141014101e55be2621e34c369beefb6db8c6cf847e241ee26e73e394c0f155138b0
\ No newline at end of file
+683a82a10c4254c7e503f9c86e192070224c0d19c1817e51da7acd74b9529a475020a6cbd658644f7cd18b244cc477d1810521aa720c4fa9354cb6955bce13f6
\ No newline at end of file

From f18caa1712a2a511ab4923be44c67bc60574d8e6 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Sun, 16 Jan 2022 15:13:36 -0600
Subject: [PATCH 0009/2654] Get rid of wgt_absorb in ParticleData

---
 include/openmc/particle_data.h |  3 ---
 src/physics.cpp                | 10 +++----
 src/physics_mg.cpp             |  8 +++---
 src/tallies/tally_scoring.cpp  | 49 +++++++++++++++++++++-------------
 4 files changed, 37 insertions(+), 33 deletions(-)

diff --git a/include/openmc/particle_data.h b/include/openmc/particle_data.h
index 38c0aa1df..a1804f7be 100644
--- a/include/openmc/particle_data.h
+++ b/include/openmc/particle_data.h
@@ -244,7 +244,6 @@ private:
   Position r_last_;         //!< previous coordinates
   Direction u_last_;        //!< previous direction coordinates
   double wgt_last_ {1.0};   //!< pre-collision particle weight
-  double wgt_absorb_ {0.0}; //!< weight absorbed for survival biasing
 
   // What event took place
   bool fission_ {false};  //!< did particle cause implicit fission
@@ -375,8 +374,6 @@ public:
   const Position& u_last() const { return u_last_; }
   double& wgt_last() { return wgt_last_; }
   const double& wgt_last() const { return wgt_last_; }
-  double& wgt_absorb() { return wgt_absorb_; }
-  const double& wgt_absorb() const { return wgt_absorb_; }
 
   bool& fission() { return fission_; }
   TallyEvent& event() { return event_; }
diff --git a/src/physics.cpp b/src/physics.cpp
index f6fc31cb9..345b79947 100644
--- a/src/physics.cpp
+++ b/src/physics.cpp
@@ -134,8 +134,6 @@ void sample_neutron_reaction(Particle& p)
 
   if (p.neutron_xs(i_nuclide).absorption > 0.0) {
     absorption(p, i_nuclide);
-  } else {
-    p.wgt_absorb() = 0.0;
   }
   if (!p.alive())
     return;
@@ -626,15 +624,15 @@ void absorption(Particle& p, int i_nuclide)
 {
   if (settings::survival_biasing) {
     // Determine weight absorbed in survival biasing
-    p.wgt_absorb() = p.wgt() * p.neutron_xs(i_nuclide).absorption /
-                     p.neutron_xs(i_nuclide).total;
+    double wgt_absorb = p.wgt() * p.neutron_xs(i_nuclide).absorption /
+                        p.neutron_xs(i_nuclide).total;
 
     // Adjust weight of particle by probability of absorption
-    p.wgt() -= p.wgt_absorb();
+    p.wgt() -= wgt_absorb;
 
     // Score implicit absorption estimate of keff
     if (settings::run_mode == RunMode::EIGENVALUE) {
-      p.keff_tally_absorption() += p.wgt_absorb() *
+      p.keff_tally_absorption() += wgt_absorb *
                                    p.neutron_xs(i_nuclide).nu_fission /
                                    p.neutron_xs(i_nuclide).absorption;
     }
diff --git a/src/physics_mg.cpp b/src/physics_mg.cpp
index ce7db3faf..d363c2d8e 100644
--- a/src/physics_mg.cpp
+++ b/src/physics_mg.cpp
@@ -55,8 +55,6 @@ void sample_reaction(Particle& p)
   // weight of the particle. Otherwise, it checks to see if absorption occurs.
   if (p.macro_xs().absorption > 0.) {
     absorption(p);
-  } else {
-    p.wgt_absorb() = 0.;
   }
   if (!p.alive())
     return;
@@ -216,14 +214,14 @@ void absorption(Particle& p)
 {
   if (settings::survival_biasing) {
     // Determine weight absorbed in survival biasing
-    p.wgt_absorb() = p.wgt() * p.macro_xs().absorption / p.macro_xs().total;
+    double wgt_absorb = p.wgt() * p.macro_xs().absorption / p.macro_xs().total;
 
     // Adjust weight of particle by the probability of absorption
-    p.wgt() -= p.wgt_absorb();
+    p.wgt() -= wgt_absorb;
 
     // Score implicit absorpion estimate of keff
     p.keff_tally_absorption() +=
-      p.wgt_absorb() * p.macro_xs().nu_fission / p.macro_xs().absorption;
+      wgt_absorb * p.macro_xs().nu_fission / p.macro_xs().absorption;
   } else {
     if (p.macro_xs().absorption > prn(p.current_seed()) * p.macro_xs().total) {
       p.keff_tally_absorption() +=
diff --git a/src/tallies/tally_scoring.cpp b/src/tallies/tally_scoring.cpp
index 8c91314aa..bd516ca18 100644
--- a/src/tallies/tally_scoring.cpp
+++ b/src/tallies/tally_scoring.cpp
@@ -546,6 +546,14 @@ void score_general_ce(Particle& p, int i_tally, int start_index,
   // Get the pre-collision energy of the particle.
   auto E = p.E_last();
 
+  // Determine how much weight was absorbed due to survival biasing
+  double wgt_absorb = 0.0;
+  if (tally.estimator_ == TallyEstimator::ANALOG &&
+      settings::survival_biasing) {
+    wgt_absorb = p.wgt_last() * p.neutron_xs(p.event_nuclide()).absorption /
+                 p.neutron_xs(p.event_nuclide()).total;
+  }
+
   using Type = ParticleType;
 
   for (auto i = 0; i < tally.scores_.size(); ++i) {
@@ -614,7 +622,7 @@ void score_general_ce(Particle& p, int i_tally, int start_index,
           continue;
         // Since only scattering events make it here, again we can use the
         // weight entering the collision as the estimator for the reaction rate
-        score = (p.wgt_last() - p.wgt_absorb()) * flux;
+        score = (p.wgt_last() - wgt_absorb) * flux;
       } else {
         if (i_nuclide >= 0) {
           if (p.type() == Type::neutron) {
@@ -645,7 +653,7 @@ void score_general_ce(Particle& p, int i_tally, int start_index,
       // For scattering production, we need to use the pre-collision weight
       // times the yield as the estimate for the number of neutrons exiting a
       // reaction with neutrons in the exit channel
-      score = (p.wgt_last() - p.wgt_absorb()) * flux;
+      score = (p.wgt_last() - wgt_absorb) * flux;
 
       // Don't waste time on very common reactions we know have multiplicities
       // of one.
@@ -667,7 +675,7 @@ void score_general_ce(Particle& p, int i_tally, int start_index,
         if (settings::survival_biasing) {
           // No absorption events actually occur if survival biasing is on --
           // just use weight absorbed in survival biasing
-          score = p.wgt_absorb() * flux;
+          score = wgt_absorb * flux;
         } else {
           // Skip any event where the particle wasn't absorbed
           if (p.event() == TallyEvent::SCATTER)
@@ -1240,7 +1248,7 @@ void score_general_ce(Particle& p, int i_tally, int start_index,
         // Check if event MT matches
         if (p.event_mt() != ELASTIC)
           continue;
-        score = (p.wgt_last() - p.wgt_absorb()) * flux;
+        score = (p.wgt_last() - wgt_absorb) * flux;
       } else {
         if (i_nuclide >= 0) {
           if (p.neutron_xs(i_nuclide).elastic == CACHE_INVALID)
@@ -1289,7 +1297,7 @@ void score_general_ce(Particle& p, int i_tally, int start_index,
         // Check if the event MT matches
         if (p.event_mt() != score_bin)
           continue;
-        score = (p.wgt_last() - p.wgt_absorb()) * flux;
+        score = (p.wgt_last() - wgt_absorb) * flux;
       } else {
         int m;
         switch (score_bin) {
@@ -1405,7 +1413,7 @@ void score_general_ce(Particle& p, int i_tally, int start_index,
         // to check if it matches the MT number of the event
         if (p.event_mt() != score_bin)
           continue;
-        score = (p.wgt_last() - p.wgt_absorb()) * flux;
+        score = (p.wgt_last() - wgt_absorb) * flux;
       } else {
         // Any other cross section has to be calculated on-the-fly
         if (score_bin < 2)
@@ -1452,10 +1460,13 @@ void score_general_mg(Particle& p, int i_tally, int start_index,
   // Set the direction and group to use with get_xs
   Direction p_u;
   int p_g;
+  double wgt_absorb = 0.0;
   if (tally.estimator_ == TallyEstimator::ANALOG ||
       tally.estimator_ == TallyEstimator::COLLISION) {
-
     if (settings::survival_biasing) {
+      // Determine weight that was absorbed
+      wgt_absorb = p.wgt_last() * p.neutron_xs(p.event_nuclide()).absorption /
+                   p.neutron_xs(p.event_nuclide()).total;
 
       // Then we either are alive and had a scatter (and so g changed),
       // or are dead and g did not change
@@ -1563,7 +1574,7 @@ void score_general_mg(Particle& p, int i_tally, int start_index,
           continue;
         // Since only scattering events make it here, again we can use the
         // weight entering the collision as the estimator for the reaction rate
-        score = (p.wgt_last() - p.wgt_absorb()) * flux;
+        score = (p.wgt_last() - wgt_absorb) * flux;
         if (i_nuclide >= 0) {
           score *= atom_density *
                    nuc_xs.get_xs(MgxsType::SCATTER_FMU, p.g_last(), &p.g(),
@@ -1591,7 +1602,7 @@ void score_general_mg(Particle& p, int i_tally, int start_index,
         // For scattering production, we need to use the pre-collision weight
         // times the multiplicity as the estimate for the number of neutrons
         // exiting a reaction with neutrons in the exit channel
-        score = (p.wgt_last() - p.wgt_absorb()) * flux;
+        score = (p.wgt_last() - wgt_absorb) * flux;
         // Since we transport based on material data, the angle selected
         // was not selected from the f(mu) for the nuclide.  Therefore
         // adjust the score by the actual probability for that nuclide.
@@ -1617,7 +1628,7 @@ void score_general_mg(Particle& p, int i_tally, int start_index,
         if (settings::survival_biasing) {
           // No absorption events actually occur if survival biasing is on --
           // just use weight absorbed in survival biasing
-          score = p.wgt_absorb() * flux;
+          score = wgt_absorb * flux;
         } else {
           // Skip any event where the particle wasn't absorbed
           if (p.event() == TallyEvent::SCATTER)
@@ -1646,7 +1657,7 @@ void score_general_mg(Particle& p, int i_tally, int start_index,
           // No fission events occur if survival biasing is on -- need to
           // calculate fraction of absorptions that would have resulted in
           // fission
-          score = p.wgt_absorb() * flux;
+          score = wgt_absorb * flux;
         } else {
           // Skip any non-absorption events
           if (p.event() == TallyEvent::SCATTER)
@@ -1686,7 +1697,7 @@ void score_general_mg(Particle& p, int i_tally, int start_index,
           // No fission events occur if survival biasing is on -- need to
           // calculate fraction of absorptions that would have resulted in
           // nu-fission
-          score = p.wgt_absorb() * flux;
+          score = wgt_absorb * flux;
           if (i_nuclide >= 0) {
             score *= atom_density * nuc_xs.get_xs(MgxsType::NU_FISSION, p_g) /
                      macro_xs.get_xs(MgxsType::ABSORPTION, p_g);
@@ -1733,7 +1744,7 @@ void score_general_mg(Particle& p, int i_tally, int start_index,
           // No fission events occur if survival biasing is on -- need to
           // calculate fraction of absorptions that would have resulted in
           // prompt-nu-fission
-          score = p.wgt_absorb() * flux;
+          score = wgt_absorb * flux;
           if (i_nuclide >= 0) {
             score *= atom_density *
                      nuc_xs.get_xs(MgxsType::PROMPT_NU_FISSION, p_g) /
@@ -1794,7 +1805,7 @@ void score_general_mg(Particle& p, int i_tally, int start_index,
               // Tally each delayed group bin individually
               for (auto d_bin = 0; d_bin < filt.n_bins(); ++d_bin) {
                 auto d = filt.groups()[d_bin] - 1;
-                score = p.wgt_absorb() * flux;
+                score = wgt_absorb * flux;
                 if (i_nuclide >= 0) {
                   score *= nuc_xs.get_xs(MgxsType::DELAYED_NU_FISSION, p_g,
                              nullptr, nullptr, &d) /
@@ -1812,7 +1823,7 @@ void score_general_mg(Particle& p, int i_tally, int start_index,
               // If the delayed group filter is not present, compute the score
               // by multiplying the absorbed weight by the fraction of the
               // delayed-nu-fission xs to the absorption xs
-              score = p.wgt_absorb() * flux;
+              score = wgt_absorb * flux;
               if (i_nuclide >= 0) {
                 score *=
                   nuc_xs.get_xs(MgxsType::DELAYED_NU_FISSION, p_g) / abs_xs;
@@ -1909,7 +1920,7 @@ void score_general_mg(Particle& p, int i_tally, int start_index,
               // Tally each delayed group bin individually
               for (auto d_bin = 0; d_bin < filt.n_bins(); ++d_bin) {
                 auto d = filt.groups()[d_bin] - 1;
-                score = p.wgt_absorb() * flux;
+                score = wgt_absorb * flux;
                 if (i_nuclide >= 0) {
                   score *= nuc_xs.get_xs(
                              MgxsType::DECAY_RATE, p_g, nullptr, nullptr, &d) *
@@ -1935,14 +1946,14 @@ void score_general_mg(Particle& p, int i_tally, int start_index,
               score = 0.;
               for (auto d = 0; d < data::mg.num_delayed_groups_; ++d) {
                 if (i_nuclide >= 0) {
-                  score += p.wgt_absorb() * flux *
+                  score += wgt_absorb * flux *
                            nuc_xs.get_xs(
                              MgxsType::DECAY_RATE, p_g, nullptr, nullptr, &d) *
                            nuc_xs.get_xs(MgxsType::DELAYED_NU_FISSION, p_g,
                              nullptr, nullptr, &d) /
                            abs_xs;
                 } else {
-                  score += p.wgt_absorb() * flux *
+                  score += wgt_absorb * flux *
                            macro_xs.get_xs(
                              MgxsType::DECAY_RATE, p_g, nullptr, nullptr, &d) *
                            macro_xs.get_xs(MgxsType::DELAYED_NU_FISSION, p_g,
@@ -2050,7 +2061,7 @@ void score_general_mg(Particle& p, int i_tally, int start_index,
           // No fission events occur if survival biasing is on -- need to
           // calculate fraction of absorptions that would have resulted in
           // fission scaled by the Q-value
-          score = p.wgt_absorb() * flux;
+          score = wgt_absorb * flux;
         } else {
           // Skip any non-absorption events
           if (p.event() == TallyEvent::SCATTER)

From de50a7bfcac3378b1c4ac233f14d8aa9d1bcd10b Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 19 Jan 2022 09:14:41 -0600
Subject: [PATCH 0010/2654] Generalize russian_roulette function

---
 include/openmc/physics_common.h |  4 +++-
 src/physics.cpp                 |  6 +++---
 src/physics_common.cpp          | 14 ++++++--------
 src/physics_mg.cpp              |  6 +++---
 src/weight_windows.cpp          | 11 +++--------
 5 files changed, 18 insertions(+), 23 deletions(-)

diff --git a/include/openmc/physics_common.h b/include/openmc/physics_common.h
index 1398557dc..2c5e79dad 100644
--- a/include/openmc/physics_common.h
+++ b/include/openmc/physics_common.h
@@ -9,7 +9,9 @@
 namespace openmc {
 
 //! \brief Performs the russian roulette operation for a particle
-void russian_roulette(Particle& p);
+//! \param[in,out] p  Particle object
+//! \param[in] weight_cutoff Weight below which particles are rouletted
+void russian_roulette(Particle& p, double weight_survive);
 
 } // namespace openmc
 #endif // OPENMC_PHYSICS_COMMON_H
diff --git a/src/physics.cpp b/src/physics.cpp
index 345b79947..01af1259f 100644
--- a/src/physics.cpp
+++ b/src/physics.cpp
@@ -151,9 +151,9 @@ void sample_neutron_reaction(Particle& p)
 
   // Play russian roulette if survival biasing is turned on
   if (settings::survival_biasing) {
-    russian_roulette(p);
-    if (!p.alive())
-      return;
+    if (p.wgt() < settings::weight_cutoff) {
+      russian_roulette(p, settings::weight_survive);
+    }
   }
 }
 
diff --git a/src/physics_common.cpp b/src/physics_common.cpp
index 964678fbe..7e65c9bbf 100644
--- a/src/physics_common.cpp
+++ b/src/physics_common.cpp
@@ -9,15 +9,13 @@ namespace openmc {
 // RUSSIAN_ROULETTE
 //==============================================================================
 
-void russian_roulette(Particle& p)
+void russian_roulette(Particle& p, double weight_survive)
 {
-  if (p.wgt() < settings::weight_cutoff) {
-    if (settings::weight_survive * prn(p.current_seed()) < p.wgt()) {
-      p.wgt() = settings::weight_survive;
-    } else {
-      p.wgt() = 0.;
-      p.alive() = false;
-    }
+  if (weight_survive * prn(p.current_seed()) < p.wgt()) {
+    p.wgt() = weight_survive;
+  } else {
+    p.wgt() = 0.;
+    p.alive() = false;
   }
 }
 
diff --git a/src/physics_mg.cpp b/src/physics_mg.cpp
index d363c2d8e..6e89fde5e 100644
--- a/src/physics_mg.cpp
+++ b/src/physics_mg.cpp
@@ -64,9 +64,9 @@ void sample_reaction(Particle& p)
 
   // Play Russian roulette if survival biasing is turned on
   if (settings::survival_biasing) {
-    russian_roulette(p);
-    if (!p.alive())
-      return;
+    if (p.wgt() < settings::weight_cutoff) {
+      russian_roulette(p, settings::weight_survive);
+    }
   }
 }
 
diff --git a/src/weight_windows.cpp b/src/weight_windows.cpp
index e742d48c3..e753fc6ac 100644
--- a/src/weight_windows.cpp
+++ b/src/weight_windows.cpp
@@ -5,6 +5,7 @@
 #include "openmc/hdf5_interface.h"
 #include "openmc/particle.h"
 #include "openmc/particle_data.h"
+#include "openmc/physics_common.h"
 #include "openmc/search.h"
 #include "openmc/xml_interface.h"
 
@@ -94,14 +95,8 @@ void apply_weight_windows(Particle& p)
     // if the particle weight is below the window, play Russian roulette
     double weight_survive =
       std::min(weight * weight_window.max_split, weight_window.survival_weight);
-    if (weight_survive * prn(p.current_seed()) <= weight) {
-      p.wgt() = weight_survive;
-    } else {
-      p.alive() = false;
-      p.wgt() = 0.0;
-    }
-    // else particle is in the window, continue as normal
-  }
+    russian_roulette(p, weight_survive);
+  } // else particle is in the window, continue as normal
 }
 
 void free_memory_weight_windows()

From 3944c2f1e84838c7004a8bebf344a045429a30ad Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 15 Feb 2022 11:11:18 -0600
Subject: [PATCH 0011/2654] Fix bug in Halfspace.rotate when rotation matrix is
 passed

---
 openmc/surface.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/surface.py b/openmc/surface.py
index 146e16c28..f2b496f72 100644
--- a/openmc/surface.py
+++ b/openmc/surface.py
@@ -2633,7 +2633,7 @@ class Halfspace(Region):
             memo = {}
 
         # If rotated surface not in memo, add it
-        key = (self.surface, tuple(rotation), tuple(pivot), order, inplace)
+        key = (self.surface, tuple(np.ravel(rotation)), tuple(pivot), order, inplace)
         if key not in memo:
             memo[key] = self.surface.rotate(rotation, pivot=pivot, order=order,
                                             inplace=inplace)

From ceb6687e1cc9d2fdec887f9dcaac9211acfca116 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 15 Feb 2022 15:34:57 -0600
Subject: [PATCH 0012/2654] Update survival_biasing regression test

---
 .../survival_biasing/results_true.dat                | 12 ++++++------
 1 file changed, 6 insertions(+), 6 deletions(-)

diff --git a/tests/regression_tests/survival_biasing/results_true.dat b/tests/regression_tests/survival_biasing/results_true.dat
index b9868f3d3..edd968340 100644
--- a/tests/regression_tests/survival_biasing/results_true.dat
+++ b/tests/regression_tests/survival_biasing/results_true.dat
@@ -1,10 +1,10 @@
 k-combined:
 9.826269E-01 1.626276E-02
 tally 1:
-4.212303E+01
-3.550855E+02
-1.760388E+01
-6.205773E+01
+4.209907E+01
+3.546281E+02
+1.759415E+01
+6.197412E+01
 2.165888E+00
 9.392975E-01
 1.873459E+00
@@ -16,5 +16,5 @@ tally 1:
 3.628554E+08
 2.635633E+16
 tally 2:
-1.760388E+01
-6.205773E+01
+1.759415E+01
+6.197412E+01

From 3e6eba4439f14d57c29f58b8a2711128e83e718a Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 16 Feb 2022 09:34:34 -0600
Subject: [PATCH 0013/2654] Respond to @gridley comments on #1974

---
 include/openmc/physics_common.h |  2 +-
 src/physics.cpp                 | 14 ++++++--------
 2 files changed, 7 insertions(+), 9 deletions(-)

diff --git a/include/openmc/physics_common.h b/include/openmc/physics_common.h
index 2c5e79dad..e38a3c7f8 100644
--- a/include/openmc/physics_common.h
+++ b/include/openmc/physics_common.h
@@ -10,7 +10,7 @@ namespace openmc {
 
 //! \brief Performs the russian roulette operation for a particle
 //! \param[in,out] p  Particle object
-//! \param[in] weight_cutoff Weight below which particles are rouletted
+//! \param[in] weight_survive Weight assigned to particles that survive
 void russian_roulette(Particle& p, double weight_survive);
 
 } // namespace openmc
diff --git a/src/physics.cpp b/src/physics.cpp
index 01af1259f..63d764b67 100644
--- a/src/physics.cpp
+++ b/src/physics.cpp
@@ -624,8 +624,8 @@ void absorption(Particle& p, int i_nuclide)
 {
   if (settings::survival_biasing) {
     // Determine weight absorbed in survival biasing
-    double wgt_absorb = p.wgt() * p.neutron_xs(i_nuclide).absorption /
-                        p.neutron_xs(i_nuclide).total;
+    const double wgt_absorb = p.wgt() * p.neutron_xs(i_nuclide).absorption /
+                              p.neutron_xs(i_nuclide).total;
 
     // Adjust weight of particle by probability of absorption
     p.wgt() -= wgt_absorb;
@@ -949,9 +949,8 @@ Direction sample_target_velocity(const Nuclide& nuc, double E, Direction u,
 
       // cdf value at upper bound attainable energy
       double m = (nuc.xs_cdf_[i_E_up + 1] - nuc.xs_cdf_[i_E_up]) /
-          (nuc.energy_0K_[i_E_up + 1] - nuc.energy_0K_[i_E_up]);
-      double cdf_up =
-        nuc.xs_cdf_[i_E_up] + m * (E_up - nuc.energy_0K_[i_E_up]);
+                 (nuc.energy_0K_[i_E_up + 1] - nuc.energy_0K_[i_E_up]);
+      double cdf_up = nuc.xs_cdf_[i_E_up] + m * (E_up - nuc.energy_0K_[i_E_up]);
 
       while (true) {
         // directly sample Maxwellian
@@ -959,9 +958,8 @@ Direction sample_target_velocity(const Nuclide& nuc, double E, Direction u,
 
         // sample a relative energy using the xs cdf
         double cdf_rel = cdf_low + prn(seed) * (cdf_up - cdf_low);
-        int i_E_rel = lower_bound_index(nuc.xs_cdf_.begin() + i_E_low, 
-                                        nuc.xs_cdf_.begin() + i_E_up+2, 
-                                        cdf_rel);
+        int i_E_rel = lower_bound_index(nuc.xs_cdf_.begin() + i_E_low,
+          nuc.xs_cdf_.begin() + i_E_up + 2, cdf_rel);
         double E_rel = nuc.energy_0K_[i_E_low + i_E_rel];
         double m = (nuc.xs_cdf_[i_E_low + i_E_rel + 1] -
                      nuc.xs_cdf_[i_E_low + i_E_rel]) /

From 30fdbaeb1313b1daa57e89bdb1f86f2ebf0ed20e Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?R=C3=A9mi=20Delaporte-Mathurin?=
 <40028739+RemDelaporteMathurin@users.noreply.github.com>
Date: Wed, 16 Feb 2022 12:42:43 -0500
Subject: [PATCH 0014/2654] Tiny typo

---
 docs/source/usersguide/troubleshoot.rst | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/docs/source/usersguide/troubleshoot.rst b/docs/source/usersguide/troubleshoot.rst
index dd1c86a13..06e5c5704 100644
--- a/docs/source/usersguide/troubleshoot.rst
+++ b/docs/source/usersguide/troubleshoot.rst
@@ -80,7 +80,7 @@ high enough to produce any pixels in the overlapping area.
 To reliably validate a geometry input, it is best to run the problem in
 geometry debugging mode with the ``-g``, ``-geometry-debug``, or
 ``--geometry-debug`` command-line options.  This will enable checks for
-overlapping cells at every move of esch simulated particle.  Depending on the
+overlapping cells at every move of each simulated particle.  Depending on the
 complexity of the geometry input file, this could add considerable overhead to
 the run (these runs can still be done in parallel).  As a result, for this run
 mode the user will probably want to run fewer particles than a normal

From e2c432484ecda9c4a9dc85996c57070ff7c04aa1 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Wed, 16 Feb 2022 08:39:18 -0600
Subject: [PATCH 0015/2654] Reworking main for loop of get_filter_indices based
 on comments from @paulromano

---
 openmc/tallies.py | 23 +++++------------------
 1 file changed, 5 insertions(+), 18 deletions(-)

diff --git a/openmc/tallies.py b/openmc/tallies.py
index 436e3189e..fbf1efa3c 100644
--- a/openmc/tallies.py
+++ b/openmc/tallies.py
@@ -1092,29 +1092,16 @@ class Tally(IDManagerMixin):
         for i, self_filter in enumerate(self.filters):
             # If a user-requested Filter, get the user-requested bins
             for j, test_filter in enumerate(filters):
+                if type(self_filter) is openmc.EnergyFunctionFilter:
+                    indices = [self_filter.get_bin_index(None)]
+                    break
                 if type(self_filter) is test_filter:
                     bins = filter_bins[j]
+                    indices = np.array([self_filter.get_bin_index(b) for b in bins])
                     break
             else:
-                # If not a user-requested Filter, get all bins
-                if isinstance(self_filter, openmc.DistribcellFilter):
-                    # Create list of cell instance IDs for distribcell Filters
-                    bins = list(range(self_filter.num_bins))
+                indices = np.arange(self_filter.num_bins)
 
-                elif isinstance(self_filter, openmc.EnergyFunctionFilter):
-                    # EnergyFunctionFilters don't have bins so just add a None
-                    bins = [None]
-
-                else:
-                    # Create list of IDs for bins for all other filter types
-                    bins = self_filter.bins
-
-            # Add indices for each bin in this Filter to the list
-
-            if type(self_filter) in filters:
-                indices = np.array([self_filter.get_bin_index(b) for b in bins])
-            else:
-                indices = np.arange(len(bins))
             filter_indices.append(indices)
 
             # Account for stride in each of the previous filters

From 9a28bc8da14dfca15b3fb95c20029497e10813ab Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Wed, 16 Feb 2022 15:26:51 -0600
Subject: [PATCH 0016/2654] Removing special case for EnergyFunctionFilter

---
 openmc/tallies.py | 3 ---
 1 file changed, 3 deletions(-)

diff --git a/openmc/tallies.py b/openmc/tallies.py
index fbf1efa3c..db2ef6570 100644
--- a/openmc/tallies.py
+++ b/openmc/tallies.py
@@ -1092,9 +1092,6 @@ class Tally(IDManagerMixin):
         for i, self_filter in enumerate(self.filters):
             # If a user-requested Filter, get the user-requested bins
             for j, test_filter in enumerate(filters):
-                if type(self_filter) is openmc.EnergyFunctionFilter:
-                    indices = [self_filter.get_bin_index(None)]
-                    break
                 if type(self_filter) is test_filter:
                     bins = filter_bins[j]
                     indices = np.array([self_filter.get_bin_index(b) for b in bins])

From 9aff0b4b9c91aaaaf9613b38f00f4487fb637d72 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Fri, 18 Feb 2022 15:21:14 +0000
Subject: [PATCH 0017/2654] removed dev install -e for regular install

---
 Dockerfile | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/Dockerfile b/Dockerfile
index 739998864..dd12f826d 100644
--- a/Dockerfile
+++ b/Dockerfile
@@ -201,7 +201,7 @@ RUN mkdir -p ${HOME}/OpenMC && cd ${HOME}/OpenMC \
             -DHDF5_PREFER_PARALLEL=on ; \
     fi ; \
     make 2>/dev/null -j${compile_cores} install \
-    && cd ../openmc && pip install -e .[test,depletion-mpi]
+    && cd ../openmc && pip install .[test,depletion-mpi]
 
 # Download cross sections (NNDC and WMP) and ENDF data needed by test suite
 RUN ${HOME}/OpenMC/openmc/tools/ci/download-xs.sh

From 8d002454f0b9c3813485973dbbe38b31a2fe719d Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 10 Feb 2022 10:05:50 -0600
Subject: [PATCH 0018/2654] Add Reaction::xs methods

---
 include/openmc/reaction.h     | 13 ++++++++++
 src/physics.cpp               | 45 ++++++++++-------------------------
 src/reaction.cpp              | 17 +++++++++++++
 src/tallies/tally_scoring.cpp | 38 +++++++++++------------------
 4 files changed, 56 insertions(+), 57 deletions(-)

diff --git a/include/openmc/reaction.h b/include/openmc/reaction.h
index 46705acf5..93987d9d7 100644
--- a/include/openmc/reaction.h
+++ b/include/openmc/reaction.h
@@ -9,6 +9,7 @@
 #include "hdf5.h"
 #include <gsl/gsl-lite.hpp>
 
+#include "openmc/particle_data.h"
 #include "openmc/reaction_product.h"
 #include "openmc/vector.h"
 
@@ -27,6 +28,18 @@ public:
   //! \param[in] temperatures Desired temperatures for cross sections
   explicit Reaction(hid_t group, const vector<int>& temperatures);
 
+  //! Calculate cross section given temperautre/grid index, interpolation factor
+  //
+  //! \param[in] i_temp Temperature index
+  //! \param[in] i_grid Energy grid index
+  //! \param[in] interp_factor Interpolation factor between grid points
+  double xs(gsl::index i_temp, gsl::index i_grid, double interp_factor) const;
+
+  //! Calculate cross section
+  //
+  //! \param[in] micro Microscopic cross section cache
+  double xs(const NuclideMicroXS& micro) const;
+
   //! \brief Calculate reaction rate based on group-wise flux distribution
   //
   //! \param[in] i_temp Temperature index
diff --git a/src/physics.cpp b/src/physics.cpp
index 63d764b67..edc581c42 100644
--- a/src/physics.cpp
+++ b/src/physics.cpp
@@ -541,23 +541,15 @@ Reaction& sample_fission(int i_nuclide, Particle& p)
     }
   }
 
-  // Get grid index and interpolatoin factor and sample fission cdf
-  int i_temp = p.neutron_xs(i_nuclide).index_temp;
-  int i_grid = p.neutron_xs(i_nuclide).index_grid;
-  double f = p.neutron_xs(i_nuclide).interp_factor;
+  // Get grid index and interpolation factor and sample fission cdf
+  const auto& micro = p.neutron_xs(i_nuclide);
   double cutoff = prn(p.current_seed()) * p.neutron_xs(i_nuclide).fission;
   double prob = 0.0;
 
   // Loop through each partial fission reaction type
   for (auto& rx : nuc->fission_rx_) {
-    // if energy is below threshold for this reaction, skip it
-    int threshold = rx->xs_[i_temp].threshold;
-    if (i_grid < threshold)
-      continue;
-
     // add to cumulative probability
-    prob += (1.0 - f) * rx->xs_[i_temp].value[i_grid - threshold] +
-            f * rx->xs_[i_temp].value[i_grid - threshold + 1];
+    prob += rx->xs(micro);
 
     // Create fission bank sites if fission occurs
     if (prob > cutoff)
@@ -573,25 +565,20 @@ void sample_photon_product(
   int i_nuclide, Particle& p, int* i_rx, int* i_product)
 {
   // Get grid index and interpolation factor and sample photon production cdf
-  int i_temp = p.neutron_xs(i_nuclide).index_temp;
-  int i_grid = p.neutron_xs(i_nuclide).index_grid;
-  double f = p.neutron_xs(i_nuclide).interp_factor;
-  double cutoff = prn(p.current_seed()) * p.neutron_xs(i_nuclide).photon_prod;
+  const auto& micro = p.neutron_xs(i_nuclide);
+  double cutoff = prn(p.current_seed()) * micro.photon_prod;
   double prob = 0.0;
 
   // Loop through each reaction type
   const auto& nuc {data::nuclides[i_nuclide]};
   for (int i = 0; i < nuc->reactions_.size(); ++i) {
-    const auto& rx = nuc->reactions_[i];
-    int threshold = rx->xs_[i_temp].threshold;
-
-    // if energy is below threshold for this reaction, skip it
-    if (i_grid < threshold)
-      continue;
-
     // Evaluate neutron cross section
-    double xs = ((1.0 - f) * rx->xs_[i_temp].value[i_grid - threshold] +
-                 f * (rx->xs_[i_temp].value[i_grid - threshold + 1]));
+    const auto& rx = nuc->reactions_[i];
+    double xs = rx->xs(micro);
+
+    // if cross section is zero for this reaction, skip it
+    if (xs == 0.0)
+      continue;
 
     for (int j = 0; j < rx->products_.size(); ++j) {
       if (rx->products_[j].particle_ == ParticleType::photon) {
@@ -663,8 +650,6 @@ void scatter(Particle& p, int i_nuclide)
   const auto& nuc {data::nuclides[i_nuclide]};
   const auto& micro {p.neutron_xs(i_nuclide)};
   int i_temp = micro.index_temp;
-  int i_grid = micro.index_grid;
-  double f = micro.interp_factor;
 
   // For tallying purposes, this routine might be called directly. In that
   // case, we need to sample a reaction via the cutoff variable
@@ -718,14 +703,8 @@ void scatter(Particle& p, int i_nuclide)
         fatal_error("Did not sample any reaction for nuclide " + nuc->name_);
       }
 
-      // if energy is below threshold for this reaction, skip it
-      const auto& xs {nuc->reactions_[i]->xs_[i_temp]};
-      if (i_grid < xs.threshold)
-        continue;
-
       // add to cumulative probability
-      prob += (1.0 - f) * xs.value[i_grid - xs.threshold] +
-              f * xs.value[i_grid - xs.threshold + 1];
+      prob += nuc->reactions_[i]->xs(micro);
     }
 
     // Perform collision physics for inelastic scattering
diff --git a/src/reaction.cpp b/src/reaction.cpp
index c929677f2..ec9d32f9a 100644
--- a/src/reaction.cpp
+++ b/src/reaction.cpp
@@ -65,6 +65,23 @@ Reaction::Reaction(hid_t group, const vector<int>& temperatures)
   }
 }
 
+double Reaction::xs(
+  gsl::index i_temp, gsl::index i_grid, double interp_factor) const
+{
+  // If energy is below threshold, return 0. Otherwise interpolate between
+  // nearest grid points
+  const auto& x = xs_[i_temp];
+  return (i_grid < x.threshold)
+           ? 0.0
+           : (1.0 - interp_factor) * x.value[i_grid - x.threshold] +
+               interp_factor * x.value[i_grid - x.threshold + 1];
+}
+
+double Reaction::xs(const NuclideMicroXS& micro) const
+{
+  return this->xs(micro.index_temp, micro.index_grid, micro.interp_factor);
+}
+
 double Reaction::collapse_rate(gsl::index i_temp,
   gsl::span<const double> energy, gsl::span<const double> flux,
   const vector<double>& grid) const
diff --git a/src/tallies/tally_scoring.cpp b/src/tallies/tally_scoring.cpp
index bd516ca18..b06570b99 100644
--- a/src/tallies/tally_scoring.cpp
+++ b/src/tallies/tally_scoring.cpp
@@ -251,20 +251,16 @@ double get_nuclide_neutron_heating(
   if (mt == C_NONE)
     return 0.0;
 
-  auto i_temp = p.neutron_xs(i_nuclide).index_temp;
+  const auto& micro = p.neutron_xs(i_nuclide);
+  auto i_temp = micro.index_temp;
   if (i_temp < 0)
     return 0.0; // Can be true due to multipole
 
-  const auto& rxn {*nuc.reactions_[mt]};
-  const auto& xs {rxn.xs_[i_temp]};
-  auto i_grid = p.neutron_xs(i_nuclide).index_grid;
-  if (i_grid < xs.threshold)
-    return 0.0;
-
   // Determine total kerma
-  auto f = p.neutron_xs(i_nuclide).interp_factor;
-  double kerma = (1.0 - f) * xs.value[i_grid - xs.threshold] +
-                 f * xs.value[i_grid - xs.threshold + 1];
+  const auto& rx {*nuc.reactions_[mt]};
+  double kerma = rx.xs(micro);
+  if (kerma == 0.0)
+    return 0.0;
 
   if (settings::run_mode == RunMode::EIGENVALUE) {
     // Determine kerma for fission as (EFR + EB)*sigma_f
@@ -477,7 +473,7 @@ double get_nuclide_xs(const Particle& p, int i_nuclide, int score_bin)
   auto m = nuc.reaction_index_[score_bin];
   if (m == C_NONE)
     return 0.0;
-  const auto& rxn {*nuc.reactions_[m]};
+  const auto& rx {*nuc.reactions_[m]};
   const auto& micro {p.neutron_xs(i_nuclide)};
 
   // In the URR, the (n,gamma) cross section is sampled randomly from
@@ -494,14 +490,7 @@ double get_nuclide_xs(const Particle& p, int i_nuclide, int score_bin)
     auto f = micro.interp_factor;
 
     // Calculate interpolated cross section
-    const auto& xs {rxn.xs_[i_temp]};
-    double value;
-    if (i_grid >= xs.threshold) {
-      value = ((1.0 - f) * xs.value[i_grid - xs.threshold] +
-               f * xs.value[i_grid - xs.threshold + 1]);
-    } else {
-      value = 0.0;
-    }
+    double xs = rx.xs(micro);
 
     if (settings::run_mode == RunMode::EIGENVALUE &&
         score_bin == HEATING_LOCAL) {
@@ -515,18 +504,18 @@ double get_nuclide_xs(const Particle& p, int i_nuclide, int score_bin)
           : 0.0;
 
       // Determine non-fission kerma as difference
-      double kerma_non_fission = value - kerma_fission;
+      double kerma_non_fission = xs - kerma_fission;
 
       // Re-weight non-fission kerma by keff to properly balance energy release
       // and deposition. See D. P. Griesheimer, S. J. Douglass, and M. H.
       // Stedry, "Self-consistent energy normalization for quasistatic reactor
       // calculations", Proc. PHYSOR, Cambridge, UK, Mar 29-Apr 2, 2020.
-      value = simulation::keff * kerma_non_fission + kerma_fission;
+      xs = simulation::keff * kerma_non_fission + kerma_fission;
     }
-    return value;
+    return xs;
   } else {
     // For multipole, calculate (n,gamma) from other reactions
-    return rxn.mt_ == N_GAMMA ? micro.absorption - micro.fission : 0.0;
+    return rx.mt_ == N_GAMMA ? micro.absorption - micro.fission : 0.0;
   }
   return 0.0;
 }
@@ -1497,7 +1486,8 @@ void score_general_mg(Particle& p, int i_tally, int start_index,
   }
 
   // For shorthand, assign pointers to the material and nuclide xs set
-  auto& nuc_xs = (i_nuclide >= 0) ? data::mg.nuclides_[i_nuclide] : data::mg.macro_xs_[p.material()];
+  auto& nuc_xs = (i_nuclide >= 0) ? data::mg.nuclides_[i_nuclide]
+                                  : data::mg.macro_xs_[p.material()];
   auto& macro_xs = data::mg.macro_xs_[p.material()];
 
   // Find the temperature and angle indices of interest

From af4a8400c5d7f6dd416cf1ce676332f67420618b Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 10 Feb 2022 23:29:43 -0600
Subject: [PATCH 0019/2654] Remove archaic 'all' nuclides tally feature

---
 include/openmc/tallies/tally.h                |   3 -
 src/tallies/tally.cpp                         |  20 +--
 src/tallies/tally_scoring.cpp                 | 151 +++++-------------
 .../regression_tests/tallies/inputs_true.dat  |  26 +--
 .../regression_tests/tallies/results_true.dat |   2 +-
 tests/regression_tests/tallies/test.py        |  14 +-
 6 files changed, 50 insertions(+), 166 deletions(-)

diff --git a/include/openmc/tallies/tally.h b/include/openmc/tallies/tally.h
index 13b8317ee..73618a3da 100644
--- a/include/openmc/tallies/tally.h
+++ b/include/openmc/tallies/tally.h
@@ -104,9 +104,6 @@ public:
   //! Index of each nuclide to be tallied.  -1 indicates total material.
   vector<int> nuclides_ {-1};
 
-  //! True if this tally has a bin for every nuclide in the problem
-  bool all_nuclides_ {false};
-
   //! Results for each bin -- the first dimension of the array is for the
   //! combination of filters (e.g. specific cell, specific energy group, etc.)
   //! and the second dimension of the array is for scores (e.g. flux, total
diff --git a/src/tallies/tally.cpp b/src/tallies/tally.cpp
index 2d673d7bc..c0fedd973 100644
--- a/src/tallies/tally.cpp
+++ b/src/tallies/tally.cpp
@@ -542,22 +542,10 @@ void Tally::set_nuclides(pugi::xml_node node)
     return;
   }
 
-  if (get_node_value(node, "nuclides") == "all") {
-    // This tally should bin every nuclide in the problem.  It should also bin
-    // the total material rates.  To achieve this, set the nuclides_ vector to
-    // 0, 1, 2, ..., -1.
-    nuclides_.reserve(data::nuclides.size() + 1);
-    for (auto i = 0; i < data::nuclides.size(); ++i)
-      nuclides_.push_back(i);
-    nuclides_.push_back(-1);
-    all_nuclides_ = true;
-
-  } else {
-    // The user provided specifics nuclides.  Parse it as an array with either
-    // "total" or a nuclide name like "U-235" in each position.
-    auto words = get_node_array<std::string>(node, "nuclides");
-    this->set_nuclides(words);
-  }
+  // The user provided specifics nuclides.  Parse it as an array with either
+  // "total" or a nuclide name like "U235" in each position.
+  auto words = get_node_array<std::string>(node, "nuclides");
+  this->set_nuclides(words);
 }
 
 void Tally::set_nuclides(const vector<std::string>& nuclides)
diff --git a/src/tallies/tally_scoring.cpp b/src/tallies/tally_scoring.cpp
index b06570b99..e3104f59a 100644
--- a/src/tallies/tally_scoring.cpp
+++ b/src/tallies/tally_scoring.cpp
@@ -2095,43 +2095,6 @@ void score_general_mg(Particle& p, int i_tally, int start_index,
   }
 }
 
-//! Tally rates for when the user requests a tally on all nuclides.
-
-void score_all_nuclides(
-  Particle& p, int i_tally, double flux, int filter_index, double filter_weight)
-{
-  const Tally& tally {*model::tallies[i_tally]};
-  const Material& material {*model::materials[p.material()]};
-
-  // Score all individual nuclide reaction rates.
-  for (auto i = 0; i < material.nuclide_.size(); ++i) {
-    auto i_nuclide = material.nuclide_[i];
-    auto atom_density = material.atom_density_(i);
-
-    // TODO: consider replacing this "if" with pointers or templates
-    if (settings::run_CE) {
-      score_general_ce(p, i_tally, i_nuclide * tally.scores_.size(),
-        filter_index, filter_weight, i_nuclide, atom_density, flux);
-    } else {
-      score_general_mg(p, i_tally, i_nuclide * tally.scores_.size(),
-        filter_index, filter_weight, i_nuclide, atom_density, flux);
-    }
-  }
-
-  // Score total material reaction rates.
-  int i_nuclide = -1;
-  double atom_density = 0.;
-  auto n_nuclides = data::nuclides.size();
-  // TODO: consider replacing this "if" with pointers or templates
-  if (settings::run_CE) {
-    score_general_ce(p, i_tally, n_nuclides * tally.scores_.size(),
-      filter_index, filter_weight, i_nuclide, atom_density, flux);
-  } else {
-    score_general_mg(p, i_tally, n_nuclides * tally.scores_.size(),
-      filter_index, filter_weight, i_nuclide, atom_density, flux);
-  }
-}
-
 void score_analog_tally_ce(Particle& p)
 {
   // Since electrons/positrons are not transported, we assign a flux of zero.
@@ -2159,30 +2122,15 @@ void score_analog_tally_ce(Particle& p)
       auto filter_weight = filter_iter.weight_;
 
       // Loop over nuclide bins.
-      if (!tally.all_nuclides_) {
-        for (auto i = 0; i < tally.nuclides_.size(); ++i) {
-          auto i_nuclide = tally.nuclides_[i];
+      for (auto i = 0; i < tally.nuclides_.size(); ++i) {
+        auto i_nuclide = tally.nuclides_[i];
 
-          // Tally this event in the present nuclide bin if that bin represents
-          // the event nuclide or the total material.  Note that the atomic
-          // density argument for score_general is not used for analog tallies.
-          if (i_nuclide == p.event_nuclide() || i_nuclide == -1)
-            score_general_ce(p, i_tally, i * tally.scores_.size(), filter_index,
-              filter_weight, i_nuclide, -1.0, flux);
-        }
-
-      } else {
-        // In the case that the user has requested to tally all nuclides, we
-        // can take advantage of the fact that we know exactly how nuclide
-        // bins correspond to nuclide indices.  First, tally the nuclide.
-        auto i = p.event_nuclide();
-        score_general_ce(p, i_tally, i * tally.scores_.size(), filter_index,
-          filter_weight, -1, -1.0, flux);
-
-        // Now tally the total material.
-        i = tally.nuclides_.size();
-        score_general_ce(p, i_tally, i * tally.scores_.size(), filter_index,
-          filter_weight, -1, -1.0, flux);
+        // Tally this event in the present nuclide bin if that bin represents
+        // the event nuclide or the total material.  Note that the atomic
+        // density argument for score_general is not used for analog tallies.
+        if (i_nuclide == p.event_nuclide() || i_nuclide == -1)
+          score_general_ce(p, i_tally, i * tally.scores_.size(), filter_index,
+            filter_weight, i_nuclide, -1.0, flux);
       }
     }
 
@@ -2270,34 +2218,27 @@ void score_tracklength_tally(Particle& p, double distance)
       auto filter_weight = filter_iter.weight_;
 
       // Loop over nuclide bins.
-      if (tally.all_nuclides_) {
-        if (p.material() != MATERIAL_VOID)
-          score_all_nuclides(
-            p, i_tally, flux * filter_weight, filter_index, filter_weight);
+      for (auto i = 0; i < tally.nuclides_.size(); ++i) {
+        auto i_nuclide = tally.nuclides_[i];
 
-      } else {
-        for (auto i = 0; i < tally.nuclides_.size(); ++i) {
-          auto i_nuclide = tally.nuclides_[i];
-
-          double atom_density = 0.;
-          if (i_nuclide >= 0) {
-            if (p.material() != MATERIAL_VOID) {
-              auto j =
-                model::materials[p.material()]->mat_nuclide_index_[i_nuclide];
-              if (j == C_NONE)
-                continue;
-              atom_density = model::materials[p.material()]->atom_density_(j);
-            }
+        double atom_density = 0.;
+        if (i_nuclide >= 0) {
+          if (p.material() != MATERIAL_VOID) {
+            auto j =
+              model::materials[p.material()]->mat_nuclide_index_[i_nuclide];
+            if (j == C_NONE)
+              continue;
+            atom_density = model::materials[p.material()]->atom_density_(j);
           }
+        }
 
-          // TODO: consider replacing this "if" with pointers or templates
-          if (settings::run_CE) {
-            score_general_ce(p, i_tally, i * tally.scores_.size(), filter_index,
-              filter_weight, i_nuclide, atom_density, flux);
-          } else {
-            score_general_mg(p, i_tally, i * tally.scores_.size(), filter_index,
-              filter_weight, i_nuclide, atom_density, flux);
-          }
+        // TODO: consider replacing this "if" with pointers or templates
+        if (settings::run_CE) {
+          score_general_ce(p, i_tally, i * tally.scores_.size(), filter_index,
+            filter_weight, i_nuclide, atom_density, flux);
+        } else {
+          score_general_mg(p, i_tally, i * tally.scores_.size(), filter_index,
+            filter_weight, i_nuclide, atom_density, flux);
         }
       }
     }
@@ -2340,31 +2281,25 @@ void score_collision_tally(Particle& p)
       auto filter_weight = filter_iter.weight_;
 
       // Loop over nuclide bins.
-      if (tally.all_nuclides_) {
-        score_all_nuclides(
-          p, i_tally, flux * filter_weight, filter_index, filter_weight);
+      for (auto i = 0; i < tally.nuclides_.size(); ++i) {
+        auto i_nuclide = tally.nuclides_[i];
 
-      } else {
-        for (auto i = 0; i < tally.nuclides_.size(); ++i) {
-          auto i_nuclide = tally.nuclides_[i];
+        double atom_density = 0.;
+        if (i_nuclide >= 0) {
+          auto j =
+            model::materials[p.material()]->mat_nuclide_index_[i_nuclide];
+          if (j == C_NONE)
+            continue;
+          atom_density = model::materials[p.material()]->atom_density_(j);
+        }
 
-          double atom_density = 0.;
-          if (i_nuclide >= 0) {
-            auto j =
-              model::materials[p.material()]->mat_nuclide_index_[i_nuclide];
-            if (j == C_NONE)
-              continue;
-            atom_density = model::materials[p.material()]->atom_density_(j);
-          }
-
-          // TODO: consider replacing this "if" with pointers or templates
-          if (settings::run_CE) {
-            score_general_ce(p, i_tally, i * tally.scores_.size(), filter_index,
-              filter_weight, i_nuclide, atom_density, flux);
-          } else {
-            score_general_mg(p, i_tally, i * tally.scores_.size(), filter_index,
-              filter_weight, i_nuclide, atom_density, flux);
-          }
+        // TODO: consider replacing this "if" with pointers or templates
+        if (settings::run_CE) {
+          score_general_ce(p, i_tally, i * tally.scores_.size(), filter_index,
+            filter_weight, i_nuclide, atom_density, flux);
+        } else {
+          score_general_mg(p, i_tally, i * tally.scores_.size(), filter_index,
+            filter_weight, i_nuclide, atom_density, flux);
         }
       }
     }
diff --git a/tests/regression_tests/tallies/inputs_true.dat b/tests/regression_tests/tallies/inputs_true.dat
index bc9efe97e..61daba0d4 100644
--- a/tests/regression_tests/tallies/inputs_true.dat
+++ b/tests/regression_tests/tallies/inputs_true.dat
@@ -446,7 +446,7 @@
     <filters>12</filters>
     <scores>total</scores>
   </tally>
-  <tally id="34">
+  <tally id="30">
     <filters>15</filters>
     <scores>scatter</scores>
   </tally>
@@ -499,30 +499,6 @@
     <estimator>collision</estimator>
   </tally>
   <tally id="29">
-    <filters>13</filters>
-    <nuclides>all</nuclides>
-    <scores>total</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="30">
-    <filters>13</filters>
-    <nuclides>all</nuclides>
-    <scores>total</scores>
-    <estimator>collision</estimator>
-  </tally>
-  <tally id="31">
-    <filters>2</filters>
-    <nuclides>all</nuclides>
-    <scores>total</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="32">
-    <filters>2</filters>
-    <nuclides>U235</nuclides>
-    <scores>total</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="33">
     <scores>H1-production H2-production H3-production He3-production He4-production heating damage-energy</scores>
   </tally>
 </tallies>
diff --git a/tests/regression_tests/tallies/results_true.dat b/tests/regression_tests/tallies/results_true.dat
index 6ff900331..6739f5348 100644
--- a/tests/regression_tests/tallies/results_true.dat
+++ b/tests/regression_tests/tallies/results_true.dat
@@ -1 +1 @@
-683a82a10c4254c7e503f9c86e192070224c0d19c1817e51da7acd74b9529a475020a6cbd658644f7cd18b244cc477d1810521aa720c4fa9354cb6955bce13f6
\ No newline at end of file
+ad28e723270c25dc46f27f1482052e381c802cb111ea8224368d4ea3d903eeaba1a3dce541957f24ec0634ed2ada6f20f97c0270c269b9bcae4b34a1b317a165
\ No newline at end of file
diff --git a/tests/regression_tests/tallies/test.py b/tests/regression_tests/tallies/test.py
index 7746a4e24..3e1c6e7ba 100644
--- a/tests/regression_tests/tallies/test.py
+++ b/tests/regression_tests/tallies/test.py
@@ -154,17 +154,6 @@ def test_tallies():
     flux_tallies[1].estimator = 'analog'
     flux_tallies[2].estimator = 'collision'
 
-    all_nuclide_tallies = [Tally() for i in range(4)]
-    for t in all_nuclide_tallies:
-        t.filters = [cell_filter]
-        t.estimator = 'tracklength'
-        t.nuclides = ['all']
-        t.scores = ['total']
-    all_nuclide_tallies[1].estimator = 'collision'
-    all_nuclide_tallies[2].filters = [mesh_filter]
-    all_nuclide_tallies[3].filters = [mesh_filter]
-    all_nuclide_tallies[3].nuclides = ['U235']
-
     fusion_tally = Tally()
     fusion_tally.scores = ['H1-production', 'H2-production', 'H3-production',
         'He3-production', 'He4-production', 'heating', 'damage-energy']
@@ -180,11 +169,10 @@ def test_tallies():
         cellborn_tally, dg_tally, energy_tally, energyout_tally,
         transfer_tally, material_tally, mu_tally1, mu_tally2,
         polar_tally1, polar_tally2, polar_tally3, legendre_tally,
-        harmonics_tally, harmonics_tally2, harmonics_tally3, 
+        harmonics_tally, harmonics_tally2, harmonics_tally3,
         universe_tally, collision_tally]
     model.tallies += score_tallies
     model.tallies += flux_tallies
-    model.tallies += all_nuclide_tallies
     model.tallies.append(fusion_tally)
 
     harness.main()

From 696290f051d169251101eb83097c77e0b94541e9 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 22 Feb 2022 16:45:12 -0600
Subject: [PATCH 0020/2654] Update nuclide naming in documentation

---
 docs/source/io_formats/tallies.rst |  8 ++++----
 openmc/mgxs/mdgxs.py               | 30 +++++++++++++++---------------
 openmc/mgxs/mgxs.py                |  2 +-
 3 files changed, 20 insertions(+), 20 deletions(-)

diff --git a/docs/source/io_formats/tallies.rst b/docs/source/io_formats/tallies.rst
index 3cde6fc85..8594bb11c 100644
--- a/docs/source/io_formats/tallies.rst
+++ b/docs/source/io_formats/tallies.rst
@@ -40,15 +40,15 @@ The ``<tally>`` element accepts the following sub-elements:
 
   :nuclides:
     If specified, the scores listed will be for particular nuclides, not the
-    summation of reactions from all nuclides. The format for nuclides should be
-    [Atomic symbol]-[Mass number], e.g. "U-235". The reaction rate for all
+    summation of reactions from all nuclides. Nuclides are expressed using the
+    GNDS naming convention, e.g. "U235" or "Am242_m1". The reaction rate for all
     nuclides can be obtained with "total". For example, to obtain the reaction
-    rates for U-235, Pu-239, and all nuclides in a material, this element should
+    rates for U235, Pu239, and all nuclides in a material, this element should
     be:
 
     .. code-block:: xml
 
-        <nuclides>U-235 Pu-239 total</nuclides>
+        <nuclides>U235 Pu239 total</nuclides>
 
     *Default*: total
 
diff --git a/openmc/mgxs/mdgxs.py b/openmc/mgxs/mdgxs.py
index 7a139c7f8..13aa924a1 100644
--- a/openmc/mgxs/mdgxs.py
+++ b/openmc/mgxs/mdgxs.py
@@ -110,7 +110,7 @@ class MDGXS(MGXS):
         being tracked. This is unity if the by_nuclide attribute is False.
     nuclides : Iterable of str or 'sum'
         The optional user-specified nuclides for which to compute cross
-        sections (e.g., 'U-238', 'O-16'). If by_nuclide is True but nuclides
+        sections (e.g., 'U238', 'O16'). If by_nuclide is True but nuclides
         are not specified by the user, all nuclides in the spatial domain
         are included. This attribute is 'sum' if by_nuclide is false.
     sparse : bool
@@ -303,7 +303,7 @@ class MDGXS(MGXS):
         subdomains : Iterable of Integral or 'all'
             Subdomain IDs of interest. Defaults to 'all'.
         nuclides : Iterable of str or 'all' or 'sum'
-            A list of nuclide name strings (e.g., ['U-235', 'U-238']). The
+            A list of nuclide name strings (e.g., ['U235', 'U238']). The
             special string 'all' will return the cross sections for all nuclides
             in the spatial domain. The special string 'sum' will return the
             cross section summed over all nuclides. Defaults to 'all'.
@@ -453,7 +453,7 @@ class MDGXS(MGXS):
         ----------
         nuclides : list of str
             A list of nuclide name strings
-            (e.g., ['U-235', 'U-238']; default is [])
+            (e.g., ['U235', 'U238']; default is [])
         groups : list of int
             A list of energy group indices starting at 1 for the high energies
             (e.g., [1, 2, 3]; default is [])
@@ -565,7 +565,7 @@ class MDGXS(MGXS):
             Defaults to 'all'.
         nuclides : Iterable of str or 'all' or 'sum'
             The nuclides of the cross-sections to include in the report. This
-            may be a list of nuclide name strings (e.g., ['U-235', 'U-238']).
+            may be a list of nuclide name strings (e.g., ['U235', 'U238']).
             The special string 'all' will report the cross sections for all
             nuclides in the spatial domain. The special string 'sum' will report
             the cross sections summed over all nuclides. Defaults to 'all'.
@@ -782,7 +782,7 @@ class MDGXS(MGXS):
             Energy groups of interest. Defaults to 'all'.
         nuclides : Iterable of str or 'all' or 'sum'
             The nuclides of the cross-sections to include in the dataframe. This
-            may be a list of nuclide name strings (e.g., ['U-235', 'U-238']).
+            may be a list of nuclide name strings (e.g., ['U235', 'U238']).
             The special string 'all' will include the cross sections for all
             nuclides in the spatial domain. The special string 'sum' will
             include the cross sections summed over all nuclides. Defaults
@@ -990,7 +990,7 @@ class ChiDelayed(MDGXS):
         being tracked. This is unity if the by_nuclide attribute is False.
     nuclides : Iterable of str or 'sum'
         The optional user-specified nuclides for which to compute cross
-        sections (e.g., 'U-238', 'O-16'). If by_nuclide is True but nuclides
+        sections (e.g., 'U238', 'O16'). If by_nuclide is True but nuclides
         are not specified by the user, all nuclides in the spatial domain
         are included. This attribute is 'sum' if by_nuclide is false.
     sparse : bool
@@ -1006,8 +1006,8 @@ class ChiDelayed(MDGXS):
     """
 
     # Store whether or not the number density should be removed for microscopic
-    # values of this data; since this chi data is normalized to 1.0, the 
-    # data should not be divided by the number density 
+    # values of this data; since this chi data is normalized to 1.0, the
+    # data should not be divided by the number density
     _divide_by_density = False
 
     def __init__(self, domain=None, domain_type=None, energy_groups=None,
@@ -1107,7 +1107,7 @@ class ChiDelayed(MDGXS):
         ----------
         nuclides : list of str
             A list of nuclide name strings
-            (e.g., ['U-235', 'U-238']; default is [])
+            (e.g., ['U235', 'U238']; default is [])
         groups : list of Integral
             A list of energy group indices starting at 1 for the high energies
             (e.g., [1, 2, 3]; default is [])
@@ -1241,7 +1241,7 @@ class ChiDelayed(MDGXS):
         subdomains : Iterable of Integral or 'all'
             Subdomain IDs of interest. Defaults to 'all'.
         nuclides : Iterable of str or 'all' or 'sum'
-            A list of nuclide name strings (e.g., ['U-235', 'U-238']). The
+            A list of nuclide name strings (e.g., ['U235', 'U238']). The
             special string 'all' will return the cross sections for all nuclides
             in the spatial domain. The special string 'sum' will return the
             cross section summed over all nuclides. Defaults to 'all'.
@@ -1506,7 +1506,7 @@ class DelayedNuFissionXS(MDGXS):
         being tracked. This is unity if the by_nuclide attribute is False.
     nuclides : Iterable of str or 'sum'
         The optional user-specified nuclides for which to compute cross
-        sections (e.g., 'U-238', 'O-16'). If by_nuclide is True but nuclides
+        sections (e.g., 'U238', 'O16'). If by_nuclide is True but nuclides
         are not specified by the user, all nuclides in the spatial domain
         are included. This attribute is 'sum' if by_nuclide is false.
     sparse : bool
@@ -1642,7 +1642,7 @@ class Beta(MDGXS):
         being tracked. This is unity if the by_nuclide attribute is False.
     nuclides : Iterable of str or 'sum'
         The optional user-specified nuclides for which to compute cross
-        sections (e.g., 'U-238', 'O-16'). If by_nuclide is True but nuclides
+        sections (e.g., 'U238', 'O16'). If by_nuclide is True but nuclides
         are not specified by the user, all nuclides in the spatial domain
         are included. This attribute is 'sum' if by_nuclide is false.
     sparse : bool
@@ -1832,7 +1832,7 @@ class DecayRate(MDGXS):
         being tracked. This is unity if the by_nuclide attribute is False.
     nuclides : Iterable of str or 'sum'
         The optional user-specified nuclides for which to compute cross
-        sections (e.g., 'U-238', 'O-16'). If by_nuclide is True but nuclides
+        sections (e.g., 'U238', 'O16'). If by_nuclide is True but nuclides
         are not specified by the user, all nuclides in the spatial domain
         are included. This attribute is 'sum' if by_nuclide is false.
     sparse : bool
@@ -1935,7 +1935,7 @@ class DecayRate(MDGXS):
         subdomains : Iterable of Integral or 'all'
             Subdomain IDs of interest. Defaults to 'all'.
         nuclides : Iterable of str or 'all' or 'sum'
-            A list of nuclide name strings (e.g., ['U-235', 'U-238']). The
+            A list of nuclide name strings (e.g., ['U235', 'U238']). The
             special string 'all' will return the cross sections for all nuclides
             in the spatial domain. The special string 'sum' will return the
             cross section summed over all nuclides. Defaults to 'all'.
@@ -2738,7 +2738,7 @@ class DelayedNuFissionMatrixXS(MatrixMDGXS):
         being tracked. This is unity if the by_nuclide attribute is False.
     nuclides : Iterable of str or 'sum'
         The optional user-specified nuclides for which to compute cross
-        sections (e.g., 'U-238', 'O-16'). If by_nuclide is True but nuclides
+        sections (e.g., 'U238', 'O16'). If by_nuclide is True but nuclides
         are not specified by the user, all nuclides in the spatial domain
         are included. This attribute is 'sum' if by_nuclide is false.
     sparse : bool
diff --git a/openmc/mgxs/mgxs.py b/openmc/mgxs/mgxs.py
index ff739fe85..fe8883135 100644
--- a/openmc/mgxs/mgxs.py
+++ b/openmc/mgxs/mgxs.py
@@ -6455,7 +6455,7 @@ class InverseVelocity(MGXS):
         being tracked. This is unity if the by_nuclide attribute is False.
     nuclides : Iterable of str or 'sum'
         The optional user-specified nuclides for which to compute cross
-        sections (e.g., 'U-238', 'O-16'). If by_nuclide is True but nuclides
+        sections (e.g., 'U238', 'O16'). If by_nuclide is True but nuclides
         are not specified by the user, all nuclides in the spatial domain
         are included. This attribute is 'sum' if by_nuclide is false.
     sparse : bool

From 96d0726e42c5ecb00cb2a5bc2bc6ae746bc9d802 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 23 Feb 2022 06:35:05 -0600
Subject: [PATCH 0021/2654] Fix failing tests that were using "all" in tally
 nuclides

---
 tests/regression_tests/tally_nuclides/tallies.xml            | 2 +-
 tests/regression_tests/trigger_batch_interval/tallies.xml    | 2 +-
 tests/regression_tests/trigger_no_batch_interval/tallies.xml | 2 +-
 tests/regression_tests/trigger_no_status/tallies.xml         | 2 +-
 tests/regression_tests/trigger_tallies/tallies.xml           | 2 +-
 5 files changed, 5 insertions(+), 5 deletions(-)

diff --git a/tests/regression_tests/tally_nuclides/tallies.xml b/tests/regression_tests/tally_nuclides/tallies.xml
index 3440dbf21..ea25596a4 100644
--- a/tests/regression_tests/tally_nuclides/tallies.xml
+++ b/tests/regression_tests/tally_nuclides/tallies.xml
@@ -2,7 +2,7 @@
 <tallies>
 
   <tally id="1">
-    <nuclides>all</nuclides>
+    <nuclides>Pu239 total</nuclides>
     <scores>total absorption fission scatter</scores>
   </tally>
 
diff --git a/tests/regression_tests/trigger_batch_interval/tallies.xml b/tests/regression_tests/trigger_batch_interval/tallies.xml
index 3440dbf21..ea25596a4 100644
--- a/tests/regression_tests/trigger_batch_interval/tallies.xml
+++ b/tests/regression_tests/trigger_batch_interval/tallies.xml
@@ -2,7 +2,7 @@
 <tallies>
 
   <tally id="1">
-    <nuclides>all</nuclides>
+    <nuclides>Pu239 total</nuclides>
     <scores>total absorption fission scatter</scores>
   </tally>
 
diff --git a/tests/regression_tests/trigger_no_batch_interval/tallies.xml b/tests/regression_tests/trigger_no_batch_interval/tallies.xml
index 3440dbf21..ea25596a4 100644
--- a/tests/regression_tests/trigger_no_batch_interval/tallies.xml
+++ b/tests/regression_tests/trigger_no_batch_interval/tallies.xml
@@ -2,7 +2,7 @@
 <tallies>
 
   <tally id="1">
-    <nuclides>all</nuclides>
+    <nuclides>Pu239 total</nuclides>
     <scores>total absorption fission scatter</scores>
   </tally>
 
diff --git a/tests/regression_tests/trigger_no_status/tallies.xml b/tests/regression_tests/trigger_no_status/tallies.xml
index 3440dbf21..ea25596a4 100644
--- a/tests/regression_tests/trigger_no_status/tallies.xml
+++ b/tests/regression_tests/trigger_no_status/tallies.xml
@@ -2,7 +2,7 @@
 <tallies>
 
   <tally id="1">
-    <nuclides>all</nuclides>
+    <nuclides>Pu239 total</nuclides>
     <scores>total absorption fission scatter</scores>
   </tally>
 
diff --git a/tests/regression_tests/trigger_tallies/tallies.xml b/tests/regression_tests/trigger_tallies/tallies.xml
index 0d66e1538..ffe8a1a9e 100644
--- a/tests/regression_tests/trigger_tallies/tallies.xml
+++ b/tests/regression_tests/trigger_tallies/tallies.xml
@@ -2,7 +2,7 @@
 <tallies>
 
   <tally id="1">
-    <nuclides>all</nuclides>
+    <nuclides>Pu239 total</nuclides>
     <scores>total absorption fission scatter</scores>
   </tally>
 

From 93364e63637e31387cad25dafd38d910b7204bc2 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Fri, 25 Feb 2022 11:42:09 +0000
Subject: [PATCH 0022/2654] pinned NJOY version added import openmc test

---
 Dockerfile | 23 ++++++++++++++++-------
 1 file changed, 16 insertions(+), 7 deletions(-)

diff --git a/Dockerfile b/Dockerfile
index dd12f826d..d35c6ddeb 100644
--- a/Dockerfile
+++ b/Dockerfile
@@ -46,7 +46,7 @@ ENV DD_REPO='https://github.com/pshriwise/double-down'
 ENV DD_INSTALL_DIR=$HOME/Double_down
 
 # DAGMC variables
-ENV DAGMC_BRANCH='develop'
+ENV DAGMC_BRANCH='v3.2.1'
 ENV DAGMC_REPO='https://github.com/svalinn/DAGMC'
 ENV DAGMC_INSTALL_DIR=$HOME/DAGMC/
 
@@ -55,6 +55,10 @@ ENV LIBMESH_TAG='v1.6.0'
 ENV LIBMESH_REPO='https://github.com/libMesh/libmesh'
 ENV LIBMESH_INSTALL_DIR=$HOME/LIBMESH
 
+# NJOY variables
+ENV NJOY_TAG='2016.65'
+ENV NJOY_REPO='https://github.com/njoy/NJOY2016'
+
 # Setup environment variables for Docker image
 ENV CC=/usr/bin/mpicc CXX=/usr/bin/mpicxx \
     LD_LIBRARY_PATH=${DAGMC_INSTALL_DIR}/lib:$LD_LIBRARY_PATH \
@@ -75,10 +79,14 @@ RUN apt-get update -y && \
 RUN pip install --upgrade pip
 
 # Clone and install NJOY2016
-RUN cd $HOME && git clone --depth 1 https://github.com/njoy/NJOY2016.git && \
-    cd NJOY2016 && mkdir build && cd build && \
-    cmake -Dstatic=on .. && make 2>/dev/null -j${compile_cores} install && \
-    rm -rf $HOME/NJOY2016
+RUN cd $HOME \
+    && git clone --single-branch -b ${NJOY_TAG} --depth 1 ${NJOY_REPO} \
+    && cd NJOY2016 \
+    && mkdir build \
+    && cd build \
+    && cmake -Dstatic=on .. \
+    && make 2>/dev/null -j${compile_cores} install \
+    && rm -rf $HOME/NJOY2016
 
 
 RUN if [ "$build_dagmc" = "on" ]; then \
@@ -167,7 +175,7 @@ RUN if [ "$build_libmesh" = "on" ]; then \
 
 # clone and install openmc
 RUN mkdir -p ${HOME}/OpenMC && cd ${HOME}/OpenMC \
-    && git clone --shallow-submodules --recurse-submodules -b ${openmc_branch} --depth=1 ${OPENMC_REPO} \
+    && git clone --shallow-submodules --recurse-submodules --single-branch -b ${openmc_branch} --depth=1 ${OPENMC_REPO} \
     && mkdir build && cd build ; \
     if [ ${build_dagmc} = "on" ] && [ ${build_libmesh} = "on" ]; then \
         cmake ../openmc \
@@ -201,7 +209,8 @@ RUN mkdir -p ${HOME}/OpenMC && cd ${HOME}/OpenMC \
             -DHDF5_PREFER_PARALLEL=on ; \
     fi ; \
     make 2>/dev/null -j${compile_cores} install \
-    && cd ../openmc && pip install .[test,depletion-mpi]
+    && cd ../openmc && pip install .[test,depletion-mpi] \
+    && python -c "import openmc"
 
 # Download cross sections (NNDC and WMP) and ENDF data needed by test suite
 RUN ${HOME}/OpenMC/openmc/tools/ci/download-xs.sh

From dbbba828f6928f9198fe863c64b96237840f610d Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 11 Feb 2022 09:08:06 -0600
Subject: [PATCH 0023/2654] Split score_general_ce into analog and non-analog
 cases

---
 src/tallies/tally_scoring.cpp | 1474 ++++++++++++++++++---------------
 1 file changed, 788 insertions(+), 686 deletions(-)

diff --git a/src/tallies/tally_scoring.cpp b/src/tallies/tally_scoring.cpp
index e3104f59a..9186aeca4 100644
--- a/src/tallies/tally_scoring.cpp
+++ b/src/tallies/tally_scoring.cpp
@@ -520,13 +520,10 @@ double get_nuclide_xs(const Particle& p, int i_nuclide, int score_bin)
   return 0.0;
 }
 
-//! Update tally results for continuous-energy tallies with any estimator.
-//
-//! For analog tallies, the flux estimate depends on the score type so the flux
-//! argument is really just used for filter weights.  The atom_density argument
-//! is not used for analog tallies.
+//! Update tally results for continuous-energy tallies with a tracklength or
+//! collision estimator.
 
-void score_general_ce(Particle& p, int i_tally, int start_index,
+void score_general_ce_nonanalog(Particle& p, int i_tally, int start_index,
   int filter_index, double filter_weight, int i_nuclide, double atom_density,
   double flux)
 {
@@ -535,14 +532,6 @@ void score_general_ce(Particle& p, int i_tally, int start_index,
   // Get the pre-collision energy of the particle.
   auto E = p.E_last();
 
-  // Determine how much weight was absorbed due to survival biasing
-  double wgt_absorb = 0.0;
-  if (tally.estimator_ == TallyEstimator::ANALOG &&
-      settings::survival_biasing) {
-    wgt_absorb = p.wgt_last() * p.neutron_xs(p.event_nuclide()).absorption /
-                 p.neutron_xs(p.event_nuclide()).total;
-  }
-
   using Type = ParticleType;
 
   for (auto i = 0; i < tally.scores_.size(); ++i) {
@@ -552,36 +541,18 @@ void score_general_ce(Particle& p, int i_tally, int start_index,
 
     switch (score_bin) {
     case SCORE_FLUX:
-      if (tally.estimator_ == TallyEstimator::ANALOG) {
-        // All events score to a flux bin. We actually use a collision estimator
-        // in place of an analog one since there is no way to count 'events'
-        // exactly for the flux
-        if (p.type() == Type::neutron || p.type() == Type::photon) {
-          score = flux * p.wgt_last() / p.macro_xs().total;
-        } else {
-          score = 0.;
-        }
-      } else {
-        score = flux;
-      }
+      score = flux;
       break;
 
     case SCORE_TOTAL:
-      if (tally.estimator_ == TallyEstimator::ANALOG) {
-        // All events will score to the total reaction rate. We can just use
-        // use the weight of the particle entering the collision as the score
-        score = p.wgt_last() * flux;
-
-      } else {
-        if (i_nuclide >= 0) {
-          if (p.type() == Type::neutron) {
-            score = p.neutron_xs(i_nuclide).total * atom_density * flux;
-          } else if (p.type() == Type::photon) {
-            score = p.photon_xs(i_nuclide).total * atom_density * flux;
-          }
-        } else {
-          score = p.macro_xs().total * flux;
+      if (i_nuclide >= 0) {
+        if (p.type() == Type::neutron) {
+          score = p.neutron_xs(i_nuclide).total * atom_density * flux;
+        } else if (p.type() == Type::photon) {
+          score = p.photon_xs(i_nuclide).total * atom_density * flux;
         }
+      } else {
+        score = p.macro_xs().total * flux;
       }
       break;
 
@@ -589,70 +560,28 @@ void score_general_ce(Particle& p, int i_tally, int start_index,
       if (p.type() != Type::neutron)
         continue;
 
-      if (tally.estimator_ == TallyEstimator::ANALOG) {
-        // All events score to an inverse velocity bin. We actually use a
-        // collision estimator in place of an analog one since there is no way
-        // to count 'events' exactly for the inverse velocity
-        score = flux * p.wgt_last() / p.macro_xs().total;
-      } else {
-        score = flux;
-      }
       // Score inverse velocity in units of s/cm.
-      score /= p.speed();
+      score = flux / p.speed();
       break;
 
     case SCORE_SCATTER:
       if (p.type() != Type::neutron && p.type() != Type::photon)
         continue;
 
-      if (tally.estimator_ == TallyEstimator::ANALOG) {
-        // Skip any event where the particle didn't scatter
-        if (p.event() != TallyEvent::SCATTER)
-          continue;
-        // Since only scattering events make it here, again we can use the
-        // weight entering the collision as the estimator for the reaction rate
-        score = (p.wgt_last() - wgt_absorb) * flux;
-      } else {
-        if (i_nuclide >= 0) {
-          if (p.type() == Type::neutron) {
-            const auto& micro = p.neutron_xs(i_nuclide);
-            score = (micro.total - micro.absorption) * atom_density * flux;
-          } else {
-            const auto& micro = p.photon_xs(i_nuclide);
-            score = (micro.coherent + micro.incoherent) * atom_density * flux;
-          }
+      if (i_nuclide >= 0) {
+        if (p.type() == Type::neutron) {
+          const auto& micro = p.neutron_xs(i_nuclide);
+          score = (micro.total - micro.absorption) * atom_density * flux;
         } else {
-          if (p.type() == Type::neutron) {
-            score = (p.macro_xs().total - p.macro_xs().absorption) * flux;
-          } else {
-            score = (p.macro_xs().coherent + p.macro_xs().incoherent) * flux;
-          }
+          const auto& micro = p.photon_xs(i_nuclide);
+          score = (micro.coherent + micro.incoherent) * atom_density * flux;
+        }
+      } else {
+        if (p.type() == Type::neutron) {
+          score = (p.macro_xs().total - p.macro_xs().absorption) * flux;
+        } else {
+          score = (p.macro_xs().coherent + p.macro_xs().incoherent) * flux;
         }
-      }
-      break;
-
-    case SCORE_NU_SCATTER:
-      if (p.type() != Type::neutron)
-        continue;
-
-      // Only analog estimators are available.
-      // Skip any event where the particle didn't scatter
-      if (p.event() != TallyEvent::SCATTER)
-        continue;
-      // For scattering production, we need to use the pre-collision weight
-      // times the yield as the estimate for the number of neutrons exiting a
-      // reaction with neutrons in the exit channel
-      score = (p.wgt_last() - wgt_absorb) * flux;
-
-      // Don't waste time on very common reactions we know have multiplicities
-      // of one.
-      if (p.event_mt() != ELASTIC && p.event_mt() != N_LEVEL &&
-          !(p.event_mt() >= N_N1 && p.event_mt() <= N_NC)) {
-        // Get yield and apply to score
-        auto m =
-          data::nuclides[p.event_nuclide()]->reaction_index_[p.event_mt()];
-        const auto& rxn {*data::nuclides[p.event_nuclide()]->reactions_[m]};
-        score *= (*rxn.products_[0].yield_)(E);
       }
       break;
 
@@ -660,36 +589,20 @@ void score_general_ce(Particle& p, int i_tally, int start_index,
       if (p.type() != Type::neutron && p.type() != Type::photon)
         continue;
 
-      if (tally.estimator_ == TallyEstimator::ANALOG) {
-        if (settings::survival_biasing) {
-          // No absorption events actually occur if survival biasing is on --
-          // just use weight absorbed in survival biasing
-          score = wgt_absorb * flux;
+      if (i_nuclide >= 0) {
+        if (p.type() == Type::neutron) {
+          score = p.neutron_xs(i_nuclide).absorption * atom_density * flux;
         } else {
-          // Skip any event where the particle wasn't absorbed
-          if (p.event() == TallyEvent::SCATTER)
-            continue;
-          // All fission and absorption events will contribute here, so we
-          // can just use the particle's weight entering the collision
-          score = p.wgt_last() * flux;
+          const auto& xs = p.photon_xs(i_nuclide);
+          score =
+            (xs.total - xs.coherent - xs.incoherent) * atom_density * flux;
         }
       } else {
-        if (i_nuclide >= 0) {
-          if (p.type() == Type::neutron) {
-            score = p.neutron_xs(i_nuclide).absorption * atom_density * flux;
-          } else {
-            const auto& xs = p.photon_xs(i_nuclide);
-            score =
-              (xs.total - xs.coherent - xs.incoherent) * atom_density * flux;
-          }
+        if (p.type() == Type::neutron) {
+          score = p.macro_xs().absorption * flux;
         } else {
-          if (p.type() == Type::neutron) {
-            score = p.macro_xs().absorption * flux;
-          } else {
-            score =
-              (p.macro_xs().photoelectric + p.macro_xs().pair_production) *
-              flux;
-          }
+          score =
+            (p.macro_xs().photoelectric + p.macro_xs().pair_production) * flux;
         }
       }
       break;
@@ -697,133 +610,45 @@ void score_general_ce(Particle& p, int i_tally, int start_index,
     case SCORE_FISSION:
       if (p.macro_xs().fission == 0)
         continue;
-      if (tally.estimator_ == TallyEstimator::ANALOG) {
-        if (settings::survival_biasing) {
-          // No fission events occur if survival biasing is on -- use collision
-          // estimator instead
-          if (p.neutron_xs(p.event_nuclide()).total > 0) {
-            score = p.wgt_last() * p.neutron_xs(p.event_nuclide()).fission /
-                    p.neutron_xs(p.event_nuclide()).total * flux;
-          } else {
-            score = 0.;
-          }
-        } else {
-          // Skip any non-absorption events
-          if (p.event() == TallyEvent::SCATTER)
-            continue;
-          // All fission events will contribute, so again we can use particle's
-          // weight entering the collision as the estimate for the fission
-          // reaction rate
-          score = p.wgt_last() * p.neutron_xs(p.event_nuclide()).fission /
-                  p.neutron_xs(p.event_nuclide()).absorption * flux;
-        }
+
+      if (i_nuclide >= 0) {
+        score = p.neutron_xs(i_nuclide).fission * atom_density * flux;
       } else {
-        if (i_nuclide >= 0) {
-          score = p.neutron_xs(i_nuclide).fission * atom_density * flux;
-        } else {
-          score = p.macro_xs().fission * flux;
-        }
+        score = p.macro_xs().fission * flux;
       }
       break;
 
     case SCORE_NU_FISSION:
       if (p.macro_xs().fission == 0)
         continue;
-      if (tally.estimator_ == TallyEstimator::ANALOG) {
-        if (settings::survival_biasing || p.fission()) {
-          if (tally.energyout_filter_ != C_NONE) {
-            // Fission has multiple outgoing neutrons so this helper function
-            // is used to handle scoring the multiple filter bins.
-            score_fission_eout(p, i_tally, score_index, score_bin);
-            continue;
-          }
-        }
-        if (settings::survival_biasing) {
-          // No fission events occur if survival biasing is on -- use collision
-          // estimator instead
-          if (p.neutron_xs(p.event_nuclide()).total > 0) {
-            score = p.wgt_last() * p.neutron_xs(p.event_nuclide()).nu_fission /
-                    p.neutron_xs(p.event_nuclide()).total * flux;
-          } else {
-            score = 0.;
-          }
-        } else {
-          // Skip any non-fission events
-          if (!p.fission())
-            continue;
-          // If there is no outgoing energy filter, than we only need to score
-          // to one bin. For the score to be 'analog', we need to score the
-          // number of particles that were banked in the fission bank. Since
-          // this was weighted by 1/keff, we multiply by keff to get the proper
-          // score.
-          score = simulation::keff * p.wgt_bank() * flux;
-        }
+
+      if (i_nuclide >= 0) {
+        score = p.neutron_xs(i_nuclide).nu_fission * atom_density * flux;
       } else {
-        if (i_nuclide >= 0) {
-          score = p.neutron_xs(i_nuclide).nu_fission * atom_density * flux;
-        } else {
-          score = p.macro_xs().nu_fission * flux;
-        }
+        score = p.macro_xs().nu_fission * flux;
       }
       break;
 
     case SCORE_PROMPT_NU_FISSION:
       if (p.macro_xs().fission == 0)
         continue;
-      if (tally.estimator_ == TallyEstimator::ANALOG) {
-        if (settings::survival_biasing || p.fission()) {
-          if (tally.energyout_filter_ != C_NONE) {
-            // Fission has multiple outgoing neutrons so this helper function
-            // is used to handle scoring the multiple filter bins.
-            score_fission_eout(p, i_tally, score_index, score_bin);
-            continue;
-          }
-        }
-        if (settings::survival_biasing) {
-          // No fission events occur if survival biasing is on -- need to
-          // calculate fraction of absorptions that would have resulted in
-          // prompt-nu-fission
-          if (p.neutron_xs(p.event_nuclide()).total > 0) {
-            score = p.wgt_last() * p.neutron_xs(p.event_nuclide()).fission *
-                    data::nuclides[p.event_nuclide()]->nu(
-                      E, ReactionProduct::EmissionMode::prompt) /
-                    p.neutron_xs(p.event_nuclide()).total * flux;
-          } else {
-            score = 0.;
-          }
-        } else {
-          // Skip any non-fission events
-          if (!p.fission())
-            continue;
-          // If there is no outgoing energy filter, than we only need to score
-          // to one bin. For the score to be 'analog', we need to score the
-          // number of particles that were banked in the fission bank. Since
-          // this was weighted by 1/keff, we multiply by keff to get the proper
-          // score.
-          auto n_delayed = std::accumulate(
-            p.n_delayed_bank(), p.n_delayed_bank() + MAX_DELAYED_GROUPS, 0);
-          auto prompt_frac = 1. - n_delayed / static_cast<double>(p.n_bank());
-          score = simulation::keff * p.wgt_bank() * prompt_frac * flux;
-        }
+      if (i_nuclide >= 0) {
+        score = p.neutron_xs(i_nuclide).fission *
+                data::nuclides[i_nuclide]->nu(
+                  E, ReactionProduct::EmissionMode::prompt) *
+                atom_density * flux;
       } else {
-        if (i_nuclide >= 0) {
-          score = p.neutron_xs(i_nuclide).fission *
-                  data::nuclides[i_nuclide]->nu(
-                    E, ReactionProduct::EmissionMode::prompt) *
-                  atom_density * flux;
-        } else {
-          score = 0.;
-          // Add up contributions from each nuclide in the material.
-          if (p.material() != MATERIAL_VOID) {
-            const Material& material {*model::materials[p.material()]};
-            for (auto i = 0; i < material.nuclide_.size(); ++i) {
-              auto j_nuclide = material.nuclide_[i];
-              auto atom_density = material.atom_density_(i);
-              score += p.neutron_xs(j_nuclide).fission *
-                       data::nuclides[j_nuclide]->nu(
-                         E, ReactionProduct::EmissionMode::prompt) *
-                       atom_density * flux;
-            }
+        score = 0.;
+        // Add up contributions from each nuclide in the material.
+        if (p.material() != MATERIAL_VOID) {
+          const Material& material {*model::materials[p.material()]};
+          for (auto i = 0; i < material.nuclide_.size(); ++i) {
+            auto j_nuclide = material.nuclide_[i];
+            auto atom_density = material.atom_density_(i);
+            score += p.neutron_xs(j_nuclide).fission *
+                     data::nuclides[j_nuclide]->nu(
+                       E, ReactionProduct::EmissionMode::prompt) *
+                     atom_density * flux;
           }
         }
       }
@@ -832,141 +657,65 @@ void score_general_ce(Particle& p, int i_tally, int start_index,
     case SCORE_DELAYED_NU_FISSION:
       if (p.macro_xs().fission == 0)
         continue;
-      if (tally.estimator_ == TallyEstimator::ANALOG) {
-        if (settings::survival_biasing || p.fission()) {
-          if (tally.energyout_filter_ != C_NONE) {
-            // Fission has multiple outgoing neutrons so this helper function
-            // is used to handle scoring the multiple filter bins.
-            score_fission_eout(p, i_tally, score_index, score_bin);
-            continue;
+      if (i_nuclide >= 0) {
+        if (tally.delayedgroup_filter_ != C_NONE) {
+          auto i_dg_filt = tally.filters()[tally.delayedgroup_filter_];
+          const DelayedGroupFilter& filt {*dynamic_cast<DelayedGroupFilter*>(
+            model::tally_filters[i_dg_filt].get())};
+          // Tally each delayed group bin individually
+          for (auto d_bin = 0; d_bin < filt.n_bins(); ++d_bin) {
+            auto d = filt.groups()[d_bin];
+            auto yield = data::nuclides[i_nuclide]->nu(
+              E, ReactionProduct::EmissionMode::delayed, d);
+            score =
+              p.neutron_xs(i_nuclide).fission * yield * atom_density * flux;
+            score_fission_delayed_dg(
+              i_tally, d_bin, score, score_index, p.filter_matches());
           }
+          continue;
+        } else {
+          // If the delayed group filter is not present, compute the score
+          // by multiplying the delayed-nu-fission macro xs by the flux
+          score = p.neutron_xs(i_nuclide).fission *
+                  data::nuclides[i_nuclide]->nu(
+                    E, ReactionProduct::EmissionMode::delayed) *
+                  atom_density * flux;
         }
-        if (settings::survival_biasing) {
-          // No fission events occur if survival biasing is on -- need to
-          // calculate fraction of absorptions that would have resulted in
-          // delayed-nu-fission
-          if (p.neutron_xs(p.event_nuclide()).total > 0 &&
-              data::nuclides[p.event_nuclide()]->fissionable_) {
-            if (tally.delayedgroup_filter_ != C_NONE) {
-              auto i_dg_filt = tally.filters()[tally.delayedgroup_filter_];
-              const DelayedGroupFilter& filt {
-                *dynamic_cast<DelayedGroupFilter*>(
-                  model::tally_filters[i_dg_filt].get())};
+      } else {
+        // Need to add up contributions for each nuclide
+        if (tally.delayedgroup_filter_ != C_NONE) {
+          auto i_dg_filt = tally.filters()[tally.delayedgroup_filter_];
+          const DelayedGroupFilter& filt {*dynamic_cast<DelayedGroupFilter*>(
+            model::tally_filters[i_dg_filt].get())};
+          if (p.material() != MATERIAL_VOID) {
+            const Material& material {*model::materials[p.material()]};
+            for (auto i = 0; i < material.nuclide_.size(); ++i) {
+              auto j_nuclide = material.nuclide_[i];
+              auto atom_density = material.atom_density_(i);
               // Tally each delayed group bin individually
               for (auto d_bin = 0; d_bin < filt.n_bins(); ++d_bin) {
-                auto dg = filt.groups()[d_bin];
-                auto yield = data::nuclides[p.event_nuclide()]->nu(
-                  E, ReactionProduct::EmissionMode::delayed, dg);
-                score = p.wgt_last() * yield *
-                        p.neutron_xs(p.event_nuclide()).fission /
-                        p.neutron_xs(p.event_nuclide()).total * flux;
+                auto d = filt.groups()[d_bin];
+                auto yield = data::nuclides[j_nuclide]->nu(
+                  E, ReactionProduct::EmissionMode::delayed, d);
+                score =
+                  p.neutron_xs(j_nuclide).fission * yield * atom_density * flux;
                 score_fission_delayed_dg(
                   i_tally, d_bin, score, score_index, p.filter_matches());
               }
-              continue;
-            } else {
-              // If the delayed group filter is not present, compute the score
-              // by multiplying the absorbed weight by the fraction of the
-              // delayed-nu-fission xs to the absorption xs
-              score = p.wgt_last() * p.neutron_xs(p.event_nuclide()).fission *
-                      data::nuclides[p.event_nuclide()]->nu(
-                        E, ReactionProduct::EmissionMode::delayed) /
-                      p.neutron_xs(p.event_nuclide()).total * flux;
             }
           }
+          continue;
         } else {
-          // Skip any non-fission events
-          if (!p.fission())
-            continue;
-          // If there is no outgoing energy filter, than we only need to score
-          // to one bin. For the score to be 'analog', we need to score the
-          // number of particles that were banked in the fission bank. Since
-          // this was weighted by 1/keff, we multiply by keff to get the proper
-          // score. Loop over the neutrons produced from fission and check which
-          // ones are delayed. If a delayed neutron is encountered, add its
-          // contribution to the fission bank to the score.
-          if (tally.delayedgroup_filter_ != C_NONE) {
-            auto i_dg_filt = tally.filters()[tally.delayedgroup_filter_];
-            const DelayedGroupFilter& filt {*dynamic_cast<DelayedGroupFilter*>(
-              model::tally_filters[i_dg_filt].get())};
-            // Tally each delayed group bin individually
-            for (auto d_bin = 0; d_bin < filt.n_bins(); ++d_bin) {
-              auto d = filt.groups()[d_bin];
-              score = simulation::keff * p.wgt_bank() / p.n_bank() *
-                      p.n_delayed_bank(d - 1) * flux;
-              score_fission_delayed_dg(
-                i_tally, d_bin, score, score_index, p.filter_matches());
-            }
-            continue;
-          } else {
-            // Add the contribution from all delayed groups
-            auto n_delayed = std::accumulate(
-              p.n_delayed_bank(), p.n_delayed_bank() + MAX_DELAYED_GROUPS, 0);
-            score =
-              simulation::keff * p.wgt_bank() / p.n_bank() * n_delayed * flux;
-          }
-        }
-      } else {
-        if (i_nuclide >= 0) {
-          if (tally.delayedgroup_filter_ != C_NONE) {
-            auto i_dg_filt = tally.filters()[tally.delayedgroup_filter_];
-            const DelayedGroupFilter& filt {*dynamic_cast<DelayedGroupFilter*>(
-              model::tally_filters[i_dg_filt].get())};
-            // Tally each delayed group bin individually
-            for (auto d_bin = 0; d_bin < filt.n_bins(); ++d_bin) {
-              auto d = filt.groups()[d_bin];
-              auto yield = data::nuclides[i_nuclide]->nu(
-                E, ReactionProduct::EmissionMode::delayed, d);
-              score =
-                p.neutron_xs(i_nuclide).fission * yield * atom_density * flux;
-              score_fission_delayed_dg(
-                i_tally, d_bin, score, score_index, p.filter_matches());
-            }
-            continue;
-          } else {
-            // If the delayed group filter is not present, compute the score
-            // by multiplying the delayed-nu-fission macro xs by the flux
-            score = p.neutron_xs(i_nuclide).fission *
-                    data::nuclides[i_nuclide]->nu(
-                      E, ReactionProduct::EmissionMode::delayed) *
-                    atom_density * flux;
-          }
-        } else {
-          // Need to add up contributions for each nuclide
-          if (tally.delayedgroup_filter_ != C_NONE) {
-            auto i_dg_filt = tally.filters()[tally.delayedgroup_filter_];
-            const DelayedGroupFilter& filt {*dynamic_cast<DelayedGroupFilter*>(
-              model::tally_filters[i_dg_filt].get())};
-            if (p.material() != MATERIAL_VOID) {
-              const Material& material {*model::materials[p.material()]};
-              for (auto i = 0; i < material.nuclide_.size(); ++i) {
-                auto j_nuclide = material.nuclide_[i];
-                auto atom_density = material.atom_density_(i);
-                // Tally each delayed group bin individually
-                for (auto d_bin = 0; d_bin < filt.n_bins(); ++d_bin) {
-                  auto d = filt.groups()[d_bin];
-                  auto yield = data::nuclides[j_nuclide]->nu(
-                    E, ReactionProduct::EmissionMode::delayed, d);
-                  score = p.neutron_xs(j_nuclide).fission * yield *
-                          atom_density * flux;
-                  score_fission_delayed_dg(
-                    i_tally, d_bin, score, score_index, p.filter_matches());
-                }
-              }
-            }
-            continue;
-          } else {
-            score = 0.;
-            if (p.material() != MATERIAL_VOID) {
-              const Material& material {*model::materials[p.material()]};
-              for (auto i = 0; i < material.nuclide_.size(); ++i) {
-                auto j_nuclide = material.nuclide_[i];
-                auto atom_density = material.atom_density_(i);
-                score += p.neutron_xs(j_nuclide).fission *
-                         data::nuclides[j_nuclide]->nu(
-                           E, ReactionProduct::EmissionMode::delayed) *
-                         atom_density * flux;
-              }
+          score = 0.;
+          if (p.material() != MATERIAL_VOID) {
+            const Material& material {*model::materials[p.material()]};
+            for (auto i = 0; i < material.nuclide_.size(); ++i) {
+              auto j_nuclide = material.nuclide_[i];
+              auto atom_density = material.atom_density_(i);
+              score += p.neutron_xs(j_nuclide).fission *
+                       data::nuclides[j_nuclide]->nu(
+                         E, ReactionProduct::EmissionMode::delayed) *
+                       atom_density * flux;
             }
           }
         }
@@ -976,187 +725,97 @@ void score_general_ce(Particle& p, int i_tally, int start_index,
     case SCORE_DECAY_RATE:
       if (p.macro_xs().fission == 0)
         continue;
-      if (tally.estimator_ == TallyEstimator::ANALOG) {
-        if (settings::survival_biasing) {
-          // No fission events occur if survival biasing is on -- need to
-          // calculate fraction of absorptions that would have resulted in
-          // delayed-nu-fission
-          const auto& nuc {*data::nuclides[p.event_nuclide()]};
-          if (p.neutron_xs(p.event_nuclide()).total > 0 && nuc.fissionable_) {
-            const auto& rxn {*nuc.fission_rx_[0]};
-            if (tally.delayedgroup_filter_ != C_NONE) {
-              auto i_dg_filt = tally.filters()[tally.delayedgroup_filter_];
-              const DelayedGroupFilter& filt {
-                *dynamic_cast<DelayedGroupFilter*>(
-                  model::tally_filters[i_dg_filt].get())};
-              // Tally each delayed group bin individually
-              for (auto d_bin = 0; d_bin < filt.n_bins(); ++d_bin) {
-                auto d = filt.groups()[d_bin];
-                auto yield =
-                  nuc.nu(E, ReactionProduct::EmissionMode::delayed, d);
-                auto rate = rxn.products_[d].decay_rate_;
-                score = p.wgt_last() * yield *
-                        p.neutron_xs(p.event_nuclide()).fission /
-                        p.neutron_xs(p.event_nuclide()).total * rate * flux;
-                score_fission_delayed_dg(
-                  i_tally, d_bin, score, score_index, p.filter_matches());
-              }
-              continue;
-            } else {
-              // If the delayed group filter is not present, compute the score
-              // by multiplying the absorbed weight by the fraction of the
-              // delayed-nu-fission xs to the absorption xs for all delayed
-              // groups
-              score = 0.;
-              // We need to be careful not to overshoot the number of
-              // delayed groups since this could cause the range of the
-              // rxn.products_ array to be exceeded. Hence, we use the size
-              // of this array and not the MAX_DELAYED_GROUPS constant for
-              // this loop.
-              for (auto d = 1; d < rxn.products_.size(); ++d) {
-                const auto& product = rxn.products_[d];
-                if (product.particle_ != Type::neutron)
-                  continue;
-
-                auto yield =
-                  nuc.nu(E, ReactionProduct::EmissionMode::delayed, d);
-                auto rate = product.decay_rate_;
-                score += rate * p.wgt_last() *
-                         p.neutron_xs(p.event_nuclide()).fission * yield /
-                         p.neutron_xs(p.event_nuclide()).total * flux;
-              }
-            }
+      if (i_nuclide >= 0) {
+        const auto& nuc {*data::nuclides[i_nuclide]};
+        if (!nuc.fissionable_)
+          continue;
+        const auto& rxn {*nuc.fission_rx_[0]};
+        if (tally.delayedgroup_filter_ != C_NONE) {
+          auto i_dg_filt = tally.filters()[tally.delayedgroup_filter_];
+          const DelayedGroupFilter& filt {*dynamic_cast<DelayedGroupFilter*>(
+            model::tally_filters[i_dg_filt].get())};
+          // Tally each delayed group bin individually
+          for (auto d_bin = 0; d_bin < filt.n_bins(); ++d_bin) {
+            auto d = filt.groups()[d_bin];
+            auto yield = nuc.nu(E, ReactionProduct::EmissionMode::delayed, d);
+            auto rate = rxn.products_[d].decay_rate_;
+            score = p.neutron_xs(i_nuclide).fission * yield * flux *
+                    atom_density * rate;
+            score_fission_delayed_dg(
+              i_tally, d_bin, score, score_index, p.filter_matches());
           }
+          continue;
         } else {
-          // Skip any non-fission events
-          if (!p.fission())
-            continue;
-          // If there is no outgoing energy filter, than we only need to score
-          // to one bin. For the score to be 'analog', we need to score the
-          // number of particles that were banked in the fission bank. Since
-          // this was weighted by 1/keff, we multiply by keff to get the proper
-          // score. Loop over the neutrons produced from fission and check which
-          // ones are delayed. If a delayed neutron is encountered, add its
-          // contribution to the fission bank to the score.
           score = 0.;
-          for (auto i = 0; i < p.n_bank(); ++i) {
-            const auto& bank = p.nu_bank(i);
-            auto g = bank.delayed_group;
-            if (g != 0) {
-              const auto& nuc {*data::nuclides[p.event_nuclide()]};
-              const auto& rxn {*nuc.fission_rx_[0]};
-              auto rate = rxn.products_[g].decay_rate_;
-              score += simulation::keff * bank.wgt * rate * flux;
-              if (tally.delayedgroup_filter_ != C_NONE) {
-                auto i_dg_filt = tally.filters()[tally.delayedgroup_filter_];
-                const DelayedGroupFilter& filt {
-                  *dynamic_cast<DelayedGroupFilter*>(
-                    model::tally_filters[i_dg_filt].get())};
-                // Find the corresponding filter bin and then score
-                for (auto d_bin = 0; d_bin < filt.n_bins(); ++d_bin) {
-                  auto d = filt.groups()[d_bin];
-                  if (d == g)
-                    score_fission_delayed_dg(
-                      i_tally, d_bin, score, score_index, p.filter_matches());
-                }
-                score = 0.;
-              }
-            }
+          // We need to be careful not to overshoot the number of
+          // delayed groups since this could cause the range of the
+          // rxn.products_ array to be exceeded. Hence, we use the size
+          // of this array and not the MAX_DELAYED_GROUPS constant for
+          // this loop.
+          for (auto d = 1; d < rxn.products_.size(); ++d) {
+            const auto& product = rxn.products_[d];
+            if (product.particle_ != Type::neutron)
+              continue;
+
+            auto yield = nuc.nu(E, ReactionProduct::EmissionMode::delayed, d);
+            auto rate = product.decay_rate_;
+            score += p.neutron_xs(i_nuclide).fission * flux * yield *
+                     atom_density * rate;
           }
         }
       } else {
-        if (i_nuclide >= 0) {
-          const auto& nuc {*data::nuclides[i_nuclide]};
-          if (!nuc.fissionable_)
-            continue;
-          const auto& rxn {*nuc.fission_rx_[0]};
-          if (tally.delayedgroup_filter_ != C_NONE) {
-            auto i_dg_filt = tally.filters()[tally.delayedgroup_filter_];
-            const DelayedGroupFilter& filt {*dynamic_cast<DelayedGroupFilter*>(
-              model::tally_filters[i_dg_filt].get())};
-            // Tally each delayed group bin individually
-            for (auto d_bin = 0; d_bin < filt.n_bins(); ++d_bin) {
-              auto d = filt.groups()[d_bin];
-              auto yield = nuc.nu(E, ReactionProduct::EmissionMode::delayed, d);
-              auto rate = rxn.products_[d].decay_rate_;
-              score = p.neutron_xs(i_nuclide).fission * yield * flux *
-                      atom_density * rate;
-              score_fission_delayed_dg(
-                i_tally, d_bin, score, score_index, p.filter_matches());
-            }
-            continue;
-          } else {
-            score = 0.;
-            // We need to be careful not to overshoot the number of
-            // delayed groups since this could cause the range of the
-            // rxn.products_ array to be exceeded. Hence, we use the size
-            // of this array and not the MAX_DELAYED_GROUPS constant for
-            // this loop.
-            for (auto d = 1; d < rxn.products_.size(); ++d) {
-              const auto& product = rxn.products_[d];
-              if (product.particle_ != Type::neutron)
-                continue;
-
-              auto yield = nuc.nu(E, ReactionProduct::EmissionMode::delayed, d);
-              auto rate = product.decay_rate_;
-              score += p.neutron_xs(i_nuclide).fission * flux * yield *
-                       atom_density * rate;
-            }
-          }
-        } else {
-          if (tally.delayedgroup_filter_ != C_NONE) {
-            auto i_dg_filt = tally.filters()[tally.delayedgroup_filter_];
-            const DelayedGroupFilter& filt {*dynamic_cast<DelayedGroupFilter*>(
-              model::tally_filters[i_dg_filt].get())};
-            if (p.material() != MATERIAL_VOID) {
-              const Material& material {*model::materials[p.material()]};
-              for (auto i = 0; i < material.nuclide_.size(); ++i) {
-                auto j_nuclide = material.nuclide_[i];
-                auto atom_density = material.atom_density_(i);
-                const auto& nuc {*data::nuclides[j_nuclide]};
-                if (nuc.fissionable_) {
-                  const auto& rxn {*nuc.fission_rx_[0]};
-                  // Tally each delayed group bin individually
-                  for (auto d_bin = 0; d_bin < filt.n_bins(); ++d_bin) {
-                    auto d = filt.groups()[d_bin];
-                    auto yield =
-                      nuc.nu(E, ReactionProduct::EmissionMode::delayed, d);
-                    auto rate = rxn.products_[d].decay_rate_;
-                    score = p.neutron_xs(j_nuclide).fission * yield * flux *
-                            atom_density * rate;
-                    score_fission_delayed_dg(
-                      i_tally, d_bin, score, score_index, p.filter_matches());
-                  }
+        if (tally.delayedgroup_filter_ != C_NONE) {
+          auto i_dg_filt = tally.filters()[tally.delayedgroup_filter_];
+          const DelayedGroupFilter& filt {*dynamic_cast<DelayedGroupFilter*>(
+            model::tally_filters[i_dg_filt].get())};
+          if (p.material() != MATERIAL_VOID) {
+            const Material& material {*model::materials[p.material()]};
+            for (auto i = 0; i < material.nuclide_.size(); ++i) {
+              auto j_nuclide = material.nuclide_[i];
+              auto atom_density = material.atom_density_(i);
+              const auto& nuc {*data::nuclides[j_nuclide]};
+              if (nuc.fissionable_) {
+                const auto& rxn {*nuc.fission_rx_[0]};
+                // Tally each delayed group bin individually
+                for (auto d_bin = 0; d_bin < filt.n_bins(); ++d_bin) {
+                  auto d = filt.groups()[d_bin];
+                  auto yield =
+                    nuc.nu(E, ReactionProduct::EmissionMode::delayed, d);
+                  auto rate = rxn.products_[d].decay_rate_;
+                  score = p.neutron_xs(j_nuclide).fission * yield * flux *
+                          atom_density * rate;
+                  score_fission_delayed_dg(
+                    i_tally, d_bin, score, score_index, p.filter_matches());
                 }
               }
             }
-            continue;
-          } else {
-            score = 0.;
-            if (p.material() != MATERIAL_VOID) {
-              const Material& material {*model::materials[p.material()]};
-              for (auto i = 0; i < material.nuclide_.size(); ++i) {
-                auto j_nuclide = material.nuclide_[i];
-                auto atom_density = material.atom_density_(i);
-                const auto& nuc {*data::nuclides[j_nuclide]};
-                if (nuc.fissionable_) {
-                  const auto& rxn {*nuc.fission_rx_[0]};
-                  // We need to be careful not to overshoot the number of
-                  // delayed groups since this could cause the range of the
-                  // rxn.products_ array to be exceeded. Hence, we use the size
-                  // of this array and not the MAX_DELAYED_GROUPS constant for
-                  // this loop.
-                  for (auto d = 1; d < rxn.products_.size(); ++d) {
-                    const auto& product = rxn.products_[d];
-                    if (product.particle_ != Type::neutron)
-                      continue;
+          }
+          continue;
+        } else {
+          score = 0.;
+          if (p.material() != MATERIAL_VOID) {
+            const Material& material {*model::materials[p.material()]};
+            for (auto i = 0; i < material.nuclide_.size(); ++i) {
+              auto j_nuclide = material.nuclide_[i];
+              auto atom_density = material.atom_density_(i);
+              const auto& nuc {*data::nuclides[j_nuclide]};
+              if (nuc.fissionable_) {
+                const auto& rxn {*nuc.fission_rx_[0]};
+                // We need to be careful not to overshoot the number of
+                // delayed groups since this could cause the range of the
+                // rxn.products_ array to be exceeded. Hence, we use the size
+                // of this array and not the MAX_DELAYED_GROUPS constant for
+                // this loop.
+                for (auto d = 1; d < rxn.products_.size(); ++d) {
+                  const auto& product = rxn.products_[d];
+                  if (product.particle_ != Type::neutron)
+                    continue;
 
-                    auto yield =
-                      nuc.nu(E, ReactionProduct::EmissionMode::delayed, d);
-                    auto rate = product.decay_rate_;
-                    score += p.neutron_xs(j_nuclide).fission * yield *
-                             atom_density * flux * rate;
-                  }
+                  auto yield =
+                    nuc.nu(E, ReactionProduct::EmissionMode::delayed, d);
+                  auto rate = product.decay_rate_;
+                  score += p.neutron_xs(j_nuclide).fission * yield *
+                           atom_density * flux * rate;
                 }
               }
             }
@@ -1171,53 +830,23 @@ void score_general_ce(Particle& p, int i_tally, int start_index,
       score = 0.;
       // Kappa-fission values are determined from the Q-value listed for the
       // fission cross section.
-      if (tally.estimator_ == TallyEstimator::ANALOG) {
-        if (settings::survival_biasing) {
-          // No fission events occur if survival biasing is on -- need to
-          // calculate fraction of absorptions that would have resulted in
-          // fission scaled by the Q-value
-          const auto& nuc {*data::nuclides[p.event_nuclide()]};
-          if (p.neutron_xs(p.event_nuclide()).total > 0 && nuc.fissionable_) {
-            const auto& rxn {*nuc.fission_rx_[0]};
-            score = p.wgt_last() * rxn.q_value_ *
-                    p.neutron_xs(p.event_nuclide()).fission /
-                    p.neutron_xs(p.event_nuclide()).total * flux;
-          }
-        } else {
-          // Skip any non-absorption events
-          if (p.event() == TallyEvent::SCATTER)
-            continue;
-          // All fission events will contribute, so again we can use particle's
-          // weight entering the collision as the estimate for the fission
-          // reaction rate
-          const auto& nuc {*data::nuclides[p.event_nuclide()]};
-          if (p.neutron_xs(p.event_nuclide()).absorption > 0 &&
-              nuc.fissionable_) {
-            const auto& rxn {*nuc.fission_rx_[0]};
-            score = p.wgt_last() * rxn.q_value_ *
-                    p.neutron_xs(p.event_nuclide()).fission /
-                    p.neutron_xs(p.event_nuclide()).absorption * flux;
-          }
+      if (i_nuclide >= 0) {
+        const auto& nuc {*data::nuclides[i_nuclide]};
+        if (nuc.fissionable_) {
+          const auto& rxn {*nuc.fission_rx_[0]};
+          score = rxn.q_value_ * p.neutron_xs(i_nuclide).fission *
+                  atom_density * flux;
         }
-      } else {
-        if (i_nuclide >= 0) {
-          const auto& nuc {*data::nuclides[i_nuclide]};
+      } else if (p.material() != MATERIAL_VOID) {
+        const Material& material {*model::materials[p.material()]};
+        for (auto i = 0; i < material.nuclide_.size(); ++i) {
+          auto j_nuclide = material.nuclide_[i];
+          auto atom_density = material.atom_density_(i);
+          const auto& nuc {*data::nuclides[j_nuclide]};
           if (nuc.fissionable_) {
             const auto& rxn {*nuc.fission_rx_[0]};
-            score = rxn.q_value_ * p.neutron_xs(i_nuclide).fission *
-                    atom_density * flux;
-          }
-        } else if (p.material() != MATERIAL_VOID) {
-          const Material& material {*model::materials[p.material()]};
-          for (auto i = 0; i < material.nuclide_.size(); ++i) {
-            auto j_nuclide = material.nuclide_[i];
-            auto atom_density = material.atom_density_(i);
-            const auto& nuc {*data::nuclides[j_nuclide]};
-            if (nuc.fissionable_) {
-              const auto& rxn {*nuc.fission_rx_[0]};
-              score += rxn.q_value_ * p.neutron_xs(j_nuclide).fission *
-                       atom_density * flux;
-            }
+            score += rxn.q_value_ * p.neutron_xs(j_nuclide).fission *
+                     atom_density * flux;
           }
         }
       }
@@ -1233,27 +862,20 @@ void score_general_ce(Particle& p, int i_tally, int start_index,
       if (p.type() != Type::neutron)
         continue;
 
-      if (tally.estimator_ == TallyEstimator::ANALOG) {
-        // Check if event MT matches
-        if (p.event_mt() != ELASTIC)
-          continue;
-        score = (p.wgt_last() - wgt_absorb) * flux;
+      if (i_nuclide >= 0) {
+        if (p.neutron_xs(i_nuclide).elastic == CACHE_INVALID)
+          data::nuclides[i_nuclide]->calculate_elastic_xs(p);
+        score = p.neutron_xs(i_nuclide).elastic * atom_density * flux;
       } else {
-        if (i_nuclide >= 0) {
-          if (p.neutron_xs(i_nuclide).elastic == CACHE_INVALID)
-            data::nuclides[i_nuclide]->calculate_elastic_xs(p);
-          score = p.neutron_xs(i_nuclide).elastic * atom_density * flux;
-        } else {
-          score = 0.;
-          if (p.material() != MATERIAL_VOID) {
-            const Material& material {*model::materials[p.material()]};
-            for (auto i = 0; i < material.nuclide_.size(); ++i) {
-              auto j_nuclide = material.nuclide_[i];
-              auto atom_density = material.atom_density_(i);
-              if (p.neutron_xs(j_nuclide).elastic == CACHE_INVALID)
-                data::nuclides[j_nuclide]->calculate_elastic_xs(p);
-              score += p.neutron_xs(j_nuclide).elastic * atom_density * flux;
-            }
+        score = 0.;
+        if (p.material() != MATERIAL_VOID) {
+          const Material& material {*model::materials[p.material()]};
+          for (auto i = 0; i < material.nuclide_.size(); ++i) {
+            auto j_nuclide = material.nuclide_[i];
+            auto atom_density = material.atom_density_(i);
+            if (p.neutron_xs(j_nuclide).elastic == CACHE_INVALID)
+              data::nuclides[j_nuclide]->calculate_elastic_xs(p);
+            score += p.neutron_xs(j_nuclide).elastic * atom_density * flux;
           }
         }
       }
@@ -1282,45 +904,27 @@ void score_general_ce(Particle& p, int i_tally, int start_index,
       if (p.type() != Type::neutron)
         continue;
 
-      if (tally.estimator_ == TallyEstimator::ANALOG) {
-        // Check if the event MT matches
-        if (p.event_mt() != score_bin)
-          continue;
-        score = (p.wgt_last() - wgt_absorb) * flux;
+      int m;
+      switch (score_bin) {
+      // clang-format off
+      case N_GAMMA: m = 0; break;
+      case N_P:     m = 1; break;
+      case N_A:     m = 2; break;
+      case N_2N:    m = 3; break;
+      case N_3N:    m = 4; break;
+      case N_4N:    m = 5; break;
+        // clang-format on
+      }
+      if (i_nuclide >= 0) {
+        score = p.neutron_xs(i_nuclide).reaction[m] * atom_density * flux;
       } else {
-        int m;
-        switch (score_bin) {
-        case N_GAMMA:
-          m = 0;
-          break;
-        case N_P:
-          m = 1;
-          break;
-        case N_A:
-          m = 2;
-          break;
-        case N_2N:
-          m = 3;
-          break;
-        case N_3N:
-          m = 4;
-          break;
-        case N_4N:
-          m = 5;
-          break;
-        }
-        if (i_nuclide >= 0) {
-          score = p.neutron_xs(i_nuclide).reaction[m] * atom_density * flux;
-        } else {
-          score = 0.;
-          if (p.material() != MATERIAL_VOID) {
-            const Material& material {*model::materials[p.material()]};
-            for (auto i = 0; i < material.nuclide_.size(); ++i) {
-              auto j_nuclide = material.nuclide_[i];
-              auto atom_density = material.atom_density_(i);
-              score +=
-                p.neutron_xs(j_nuclide).reaction[m] * atom_density * flux;
-            }
+        score = 0.;
+        if (p.material() != MATERIAL_VOID) {
+          const Material& material {*model::materials[p.material()]};
+          for (auto i = 0; i < material.nuclide_.size(); ++i) {
+            auto j_nuclide = material.nuclide_[i];
+            auto atom_density = material.atom_density_(i);
+            score += p.neutron_xs(j_nuclide).reaction[m] * atom_density * flux;
           }
         }
       }
@@ -1333,39 +937,24 @@ void score_general_ce(Particle& p, int i_tally, int start_index,
       if (p.type() != Type::photon)
         continue;
 
-      if (tally.estimator_ == TallyEstimator::ANALOG) {
-        if (score_bin == PHOTOELECTRIC) {
-          // Photoelectric events are assigned an MT value corresponding to the
-          // shell cross section. Also, photons below the energy cutoff are
-          // assumed to have been absorbed via photoelectric absorption
-          if ((p.event_mt() < 534 || p.event_mt() > 572) &&
-              p.event_mt() != REACTION_NONE)
-            continue;
-        } else {
-          if (p.event_mt() != score_bin)
-            continue;
-        }
-        score = p.wgt_last() * flux;
-      } else {
-        if (i_nuclide >= 0) {
-          const auto& micro = p.photon_xs(i_nuclide);
-          double xs = (score_bin == COHERENT) ? micro.coherent
-                                              : (score_bin == INCOHERENT)
-                                                  ? micro.incoherent
+      if (i_nuclide >= 0) {
+        const auto& micro = p.photon_xs(i_nuclide);
+        double xs = (score_bin == COHERENT)
+                      ? micro.coherent
+                      : (score_bin == INCOHERENT) ? micro.incoherent
                                                   : (score_bin == PHOTOELECTRIC)
                                                       ? micro.photoelectric
                                                       : micro.pair_production;
-          score = xs * atom_density * flux;
-        } else {
-          double xs = (score_bin == COHERENT)
-                        ? p.macro_xs().coherent
-                        : (score_bin == INCOHERENT)
-                            ? p.macro_xs().incoherent
-                            : (score_bin == PHOTOELECTRIC)
-                                ? p.macro_xs().photoelectric
-                                : p.macro_xs().pair_production;
-          score = xs * flux;
-        }
+        score = xs * atom_density * flux;
+      } else {
+        double xs = (score_bin == COHERENT)
+                      ? p.macro_xs().coherent
+                      : (score_bin == INCOHERENT)
+                          ? p.macro_xs().incoherent
+                          : (score_bin == PHOTOELECTRIC)
+                              ? p.macro_xs().photoelectric
+                              : p.macro_xs().pair_production;
+        score = xs * flux;
       }
       break;
 
@@ -1397,30 +986,543 @@ void score_general_ce(Particle& p, int i_tally, int start_index,
       if (p.type() != Type::neutron)
         continue;
 
-      if (tally.estimator_ == TallyEstimator::ANALOG) {
-        // Any other score is assumed to be a MT number. Thus, we just need
-        // to check if it matches the MT number of the event
-        if (p.event_mt() != score_bin)
-          continue;
-        score = (p.wgt_last() - wgt_absorb) * flux;
+      // Any other cross section has to be calculated on-the-fly
+      if (score_bin < 2)
+        fatal_error("Invalid score type on tally " + std::to_string(tally.id_));
+      score = 0.;
+      if (i_nuclide >= 0) {
+        score = get_nuclide_xs(p, i_nuclide, score_bin) * atom_density * flux;
+      } else if (p.material() != MATERIAL_VOID) {
+        const Material& material {*model::materials[p.material()]};
+        for (auto i = 0; i < material.nuclide_.size(); ++i) {
+          auto j_nuclide = material.nuclide_[i];
+          auto atom_density = material.atom_density_(i);
+          score +=
+            get_nuclide_xs(p, j_nuclide, score_bin) * atom_density * flux;
+        }
+      }
+    }
+
+    // Add derivative information on score for differential tallies.
+    if (tally.deriv_ != C_NONE)
+      apply_derivative_to_score(
+        p, i_tally, i_nuclide, atom_density, score_bin, score);
+
+// Update tally results
+#pragma omp atomic
+    tally.results_(filter_index, score_index, TallyResult::VALUE) +=
+      score * filter_weight;
+  }
+}
+
+//! Update tally results for continuous-energy tallies with an analog estimator.
+//
+//! For analog tallies, the flux estimate depends on the score type so the flux
+//! argument is really just used for filter weights. The atom_density argument
+//! is not used for analog tallies.
+
+void score_general_ce_analog(Particle& p, int i_tally, int start_index,
+  int filter_index, double filter_weight, int i_nuclide, double atom_density,
+  double flux)
+{
+  Tally& tally {*model::tallies[i_tally]};
+
+  // Get the pre-collision energy of the particle.
+  auto E = p.E_last();
+
+  // Determine how much weight was absorbed due to survival biasing
+  double wgt_absorb = settings::survival_biasing
+                        ? p.wgt_last() *
+                            p.neutron_xs(p.event_nuclide()).absorption /
+                            p.neutron_xs(p.event_nuclide()).total
+                        : 0.0;
+
+  using Type = ParticleType;
+
+  for (auto i = 0; i < tally.scores_.size(); ++i) {
+    auto score_bin = tally.scores_[i];
+    auto score_index = start_index + i;
+    double score = 0.0;
+
+    switch (score_bin) {
+    case SCORE_FLUX:
+      // All events score to a flux bin. We actually use a collision estimator
+      // in place of an analog one since there is no way to count 'events'
+      // exactly for the flux
+      if (p.type() == Type::neutron || p.type() == Type::photon) {
+        score = flux * p.wgt_last() / p.macro_xs().total;
       } else {
-        // Any other cross section has to be calculated on-the-fly
-        if (score_bin < 2)
-          fatal_error(
-            "Invalid score type on tally " + std::to_string(tally.id_));
         score = 0.;
-        if (i_nuclide >= 0) {
-          score = get_nuclide_xs(p, i_nuclide, score_bin) * atom_density * flux;
-        } else if (p.material() != MATERIAL_VOID) {
-          const Material& material {*model::materials[p.material()]};
-          for (auto i = 0; i < material.nuclide_.size(); ++i) {
-            auto j_nuclide = material.nuclide_[i];
-            auto atom_density = material.atom_density_(i);
-            score +=
-              get_nuclide_xs(p, j_nuclide, score_bin) * atom_density * flux;
+      }
+      break;
+
+    case SCORE_TOTAL:
+      // All events will score to the total reaction rate. We can just use
+      // use the weight of the particle entering the collision as the score
+      score = p.wgt_last() * flux;
+      break;
+
+    case SCORE_INVERSE_VELOCITY:
+      if (p.type() != Type::neutron)
+        continue;
+
+      // All events score to an inverse velocity bin. We actually use a
+      // collision estimator in place of an analog one since there is no way
+      // to count 'events' exactly for the inverse velocity
+      score = flux * p.wgt_last() / (p.macro_xs().total * p.speed());
+      break;
+
+    case SCORE_SCATTER:
+      if (p.type() != Type::neutron && p.type() != Type::photon)
+        continue;
+
+      // Skip any event where the particle didn't scatter
+      if (p.event() != TallyEvent::SCATTER)
+        continue;
+      // Since only scattering events make it here, again we can use the
+      // weight entering the collision as the estimator for the reaction rate
+      score = (p.wgt_last() - wgt_absorb) * flux;
+      break;
+
+    case SCORE_NU_SCATTER:
+      if (p.type() != Type::neutron)
+        continue;
+
+      // Only analog estimators are available.
+      // Skip any event where the particle didn't scatter
+      if (p.event() != TallyEvent::SCATTER)
+        continue;
+      // For scattering production, we need to use the pre-collision weight
+      // times the yield as the estimate for the number of neutrons exiting a
+      // reaction with neutrons in the exit channel
+      score = (p.wgt_last() - wgt_absorb) * flux;
+
+      // Don't waste time on very common reactions we know have multiplicities
+      // of one.
+      if (p.event_mt() != ELASTIC && p.event_mt() != N_LEVEL &&
+          !(p.event_mt() >= N_N1 && p.event_mt() <= N_NC)) {
+        // Get yield and apply to score
+        auto m =
+          data::nuclides[p.event_nuclide()]->reaction_index_[p.event_mt()];
+        const auto& rxn {*data::nuclides[p.event_nuclide()]->reactions_[m]};
+        score *= (*rxn.products_[0].yield_)(E);
+      }
+      break;
+
+    case SCORE_ABSORPTION:
+      if (p.type() != Type::neutron && p.type() != Type::photon)
+        continue;
+
+      if (settings::survival_biasing) {
+        // No absorption events actually occur if survival biasing is on --
+        // just use weight absorbed in survival biasing
+        score = wgt_absorb * flux;
+      } else {
+        // Skip any event where the particle wasn't absorbed
+        if (p.event() == TallyEvent::SCATTER)
+          continue;
+        // All fission and absorption events will contribute here, so we
+        // can just use the particle's weight entering the collision
+        score = p.wgt_last() * flux;
+      }
+      break;
+
+    case SCORE_FISSION:
+      if (p.macro_xs().fission == 0)
+        continue;
+      if (settings::survival_biasing) {
+        // No fission events occur if survival biasing is on -- use collision
+        // estimator instead
+        if (p.neutron_xs(p.event_nuclide()).total > 0) {
+          score = p.wgt_last() * p.neutron_xs(p.event_nuclide()).fission /
+                  p.neutron_xs(p.event_nuclide()).total * flux;
+        } else {
+          score = 0.;
+        }
+      } else {
+        // Skip any non-absorption events
+        if (p.event() == TallyEvent::SCATTER)
+          continue;
+        // All fission events will contribute, so again we can use particle's
+        // weight entering the collision as the estimate for the fission
+        // reaction rate
+        score = p.wgt_last() * p.neutron_xs(p.event_nuclide()).fission /
+                p.neutron_xs(p.event_nuclide()).absorption * flux;
+      }
+      break;
+
+    case SCORE_NU_FISSION:
+      if (p.macro_xs().fission == 0)
+        continue;
+      if (settings::survival_biasing || p.fission()) {
+        if (tally.energyout_filter_ != C_NONE) {
+          // Fission has multiple outgoing neutrons so this helper function
+          // is used to handle scoring the multiple filter bins.
+          score_fission_eout(p, i_tally, score_index, score_bin);
+          continue;
+        }
+      }
+      if (settings::survival_biasing) {
+        // No fission events occur if survival biasing is on -- use collision
+        // estimator instead
+        if (p.neutron_xs(p.event_nuclide()).total > 0) {
+          score = p.wgt_last() * p.neutron_xs(p.event_nuclide()).nu_fission /
+                  p.neutron_xs(p.event_nuclide()).total * flux;
+        } else {
+          score = 0.;
+        }
+      } else {
+        // Skip any non-fission events
+        if (!p.fission())
+          continue;
+        // If there is no outgoing energy filter, than we only need to score
+        // to one bin. For the score to be 'analog', we need to score the
+        // number of particles that were banked in the fission bank. Since
+        // this was weighted by 1/keff, we multiply by keff to get the proper
+        // score.
+        score = simulation::keff * p.wgt_bank() * flux;
+      }
+      break;
+
+    case SCORE_PROMPT_NU_FISSION:
+      if (p.macro_xs().fission == 0)
+        continue;
+      if (settings::survival_biasing || p.fission()) {
+        if (tally.energyout_filter_ != C_NONE) {
+          // Fission has multiple outgoing neutrons so this helper function
+          // is used to handle scoring the multiple filter bins.
+          score_fission_eout(p, i_tally, score_index, score_bin);
+          continue;
+        }
+      }
+      if (settings::survival_biasing) {
+        // No fission events occur if survival biasing is on -- need to
+        // calculate fraction of absorptions that would have resulted in
+        // prompt-nu-fission
+        if (p.neutron_xs(p.event_nuclide()).total > 0) {
+          score = p.wgt_last() * p.neutron_xs(p.event_nuclide()).fission *
+                  data::nuclides[p.event_nuclide()]->nu(
+                    E, ReactionProduct::EmissionMode::prompt) /
+                  p.neutron_xs(p.event_nuclide()).total * flux;
+        } else {
+          score = 0.;
+        }
+      } else {
+        // Skip any non-fission events
+        if (!p.fission())
+          continue;
+        // If there is no outgoing energy filter, than we only need to score
+        // to one bin. For the score to be 'analog', we need to score the
+        // number of particles that were banked in the fission bank. Since
+        // this was weighted by 1/keff, we multiply by keff to get the proper
+        // score.
+        auto n_delayed = std::accumulate(
+          p.n_delayed_bank(), p.n_delayed_bank() + MAX_DELAYED_GROUPS, 0);
+        auto prompt_frac = 1. - n_delayed / static_cast<double>(p.n_bank());
+        score = simulation::keff * p.wgt_bank() * prompt_frac * flux;
+      }
+      break;
+
+    case SCORE_DELAYED_NU_FISSION:
+      if (p.macro_xs().fission == 0)
+        continue;
+      if (settings::survival_biasing || p.fission()) {
+        if (tally.energyout_filter_ != C_NONE) {
+          // Fission has multiple outgoing neutrons so this helper function
+          // is used to handle scoring the multiple filter bins.
+          score_fission_eout(p, i_tally, score_index, score_bin);
+          continue;
+        }
+      }
+      if (settings::survival_biasing) {
+        // No fission events occur if survival biasing is on -- need to
+        // calculate fraction of absorptions that would have resulted in
+        // delayed-nu-fission
+        if (p.neutron_xs(p.event_nuclide()).total > 0 &&
+            data::nuclides[p.event_nuclide()]->fissionable_) {
+          if (tally.delayedgroup_filter_ != C_NONE) {
+            auto i_dg_filt = tally.filters()[tally.delayedgroup_filter_];
+            const DelayedGroupFilter& filt {*dynamic_cast<DelayedGroupFilter*>(
+              model::tally_filters[i_dg_filt].get())};
+            // Tally each delayed group bin individually
+            for (auto d_bin = 0; d_bin < filt.n_bins(); ++d_bin) {
+              auto dg = filt.groups()[d_bin];
+              auto yield = data::nuclides[p.event_nuclide()]->nu(
+                E, ReactionProduct::EmissionMode::delayed, dg);
+              score = p.wgt_last() * yield *
+                      p.neutron_xs(p.event_nuclide()).fission /
+                      p.neutron_xs(p.event_nuclide()).total * flux;
+              score_fission_delayed_dg(
+                i_tally, d_bin, score, score_index, p.filter_matches());
+            }
+            continue;
+          } else {
+            // If the delayed group filter is not present, compute the score
+            // by multiplying the absorbed weight by the fraction of the
+            // delayed-nu-fission xs to the absorption xs
+            score = p.wgt_last() * p.neutron_xs(p.event_nuclide()).fission *
+                    data::nuclides[p.event_nuclide()]->nu(
+                      E, ReactionProduct::EmissionMode::delayed) /
+                    p.neutron_xs(p.event_nuclide()).total * flux;
+          }
+        }
+      } else {
+        // Skip any non-fission events
+        if (!p.fission())
+          continue;
+        // If there is no outgoing energy filter, than we only need to score
+        // to one bin. For the score to be 'analog', we need to score the
+        // number of particles that were banked in the fission bank. Since
+        // this was weighted by 1/keff, we multiply by keff to get the proper
+        // score. Loop over the neutrons produced from fission and check which
+        // ones are delayed. If a delayed neutron is encountered, add its
+        // contribution to the fission bank to the score.
+        if (tally.delayedgroup_filter_ != C_NONE) {
+          auto i_dg_filt = tally.filters()[tally.delayedgroup_filter_];
+          const DelayedGroupFilter& filt {*dynamic_cast<DelayedGroupFilter*>(
+            model::tally_filters[i_dg_filt].get())};
+          // Tally each delayed group bin individually
+          for (auto d_bin = 0; d_bin < filt.n_bins(); ++d_bin) {
+            auto d = filt.groups()[d_bin];
+            score = simulation::keff * p.wgt_bank() / p.n_bank() *
+                    p.n_delayed_bank(d - 1) * flux;
+            score_fission_delayed_dg(
+              i_tally, d_bin, score, score_index, p.filter_matches());
+          }
+          continue;
+        } else {
+          // Add the contribution from all delayed groups
+          auto n_delayed = std::accumulate(
+            p.n_delayed_bank(), p.n_delayed_bank() + MAX_DELAYED_GROUPS, 0);
+          score =
+            simulation::keff * p.wgt_bank() / p.n_bank() * n_delayed * flux;
+        }
+      }
+      break;
+
+    case SCORE_DECAY_RATE:
+      if (p.macro_xs().fission == 0)
+        continue;
+      if (settings::survival_biasing) {
+        // No fission events occur if survival biasing is on -- need to
+        // calculate fraction of absorptions that would have resulted in
+        // delayed-nu-fission
+        const auto& nuc {*data::nuclides[p.event_nuclide()]};
+        if (p.neutron_xs(p.event_nuclide()).total > 0 && nuc.fissionable_) {
+          const auto& rxn {*nuc.fission_rx_[0]};
+          if (tally.delayedgroup_filter_ != C_NONE) {
+            auto i_dg_filt = tally.filters()[tally.delayedgroup_filter_];
+            const DelayedGroupFilter& filt {*dynamic_cast<DelayedGroupFilter*>(
+              model::tally_filters[i_dg_filt].get())};
+            // Tally each delayed group bin individually
+            for (auto d_bin = 0; d_bin < filt.n_bins(); ++d_bin) {
+              auto d = filt.groups()[d_bin];
+              auto yield = nuc.nu(E, ReactionProduct::EmissionMode::delayed, d);
+              auto rate = rxn.products_[d].decay_rate_;
+              score = p.wgt_last() * yield *
+                      p.neutron_xs(p.event_nuclide()).fission /
+                      p.neutron_xs(p.event_nuclide()).total * rate * flux;
+              score_fission_delayed_dg(
+                i_tally, d_bin, score, score_index, p.filter_matches());
+            }
+            continue;
+          } else {
+            // If the delayed group filter is not present, compute the score
+            // by multiplying the absorbed weight by the fraction of the
+            // delayed-nu-fission xs to the absorption xs for all delayed
+            // groups
+            score = 0.;
+            // We need to be careful not to overshoot the number of
+            // delayed groups since this could cause the range of the
+            // rxn.products_ array to be exceeded. Hence, we use the size
+            // of this array and not the MAX_DELAYED_GROUPS constant for
+            // this loop.
+            for (auto d = 1; d < rxn.products_.size(); ++d) {
+              const auto& product = rxn.products_[d];
+              if (product.particle_ != Type::neutron)
+                continue;
+
+              auto yield = nuc.nu(E, ReactionProduct::EmissionMode::delayed, d);
+              auto rate = product.decay_rate_;
+              score += rate * p.wgt_last() *
+                       p.neutron_xs(p.event_nuclide()).fission * yield /
+                       p.neutron_xs(p.event_nuclide()).total * flux;
+            }
+          }
+        }
+      } else {
+        // Skip any non-fission events
+        if (!p.fission())
+          continue;
+        // If there is no outgoing energy filter, than we only need to score
+        // to one bin. For the score to be 'analog', we need to score the
+        // number of particles that were banked in the fission bank. Since
+        // this was weighted by 1/keff, we multiply by keff to get the proper
+        // score. Loop over the neutrons produced from fission and check which
+        // ones are delayed. If a delayed neutron is encountered, add its
+        // contribution to the fission bank to the score.
+        score = 0.;
+        for (auto i = 0; i < p.n_bank(); ++i) {
+          const auto& bank = p.nu_bank(i);
+          auto g = bank.delayed_group;
+          if (g != 0) {
+            const auto& nuc {*data::nuclides[p.event_nuclide()]};
+            const auto& rxn {*nuc.fission_rx_[0]};
+            auto rate = rxn.products_[g].decay_rate_;
+            score += simulation::keff * bank.wgt * rate * flux;
+            if (tally.delayedgroup_filter_ != C_NONE) {
+              auto i_dg_filt = tally.filters()[tally.delayedgroup_filter_];
+              const DelayedGroupFilter& filt {
+                *dynamic_cast<DelayedGroupFilter*>(
+                  model::tally_filters[i_dg_filt].get())};
+              // Find the corresponding filter bin and then score
+              for (auto d_bin = 0; d_bin < filt.n_bins(); ++d_bin) {
+                auto d = filt.groups()[d_bin];
+                if (d == g)
+                  score_fission_delayed_dg(
+                    i_tally, d_bin, score, score_index, p.filter_matches());
+              }
+              score = 0.;
+            }
           }
         }
       }
+      break;
+
+    case SCORE_KAPPA_FISSION:
+      if (p.macro_xs().fission == 0.)
+        continue;
+      score = 0.;
+      // Kappa-fission values are determined from the Q-value listed for the
+      // fission cross section.
+      if (settings::survival_biasing) {
+        // No fission events occur if survival biasing is on -- need to
+        // calculate fraction of absorptions that would have resulted in
+        // fission scaled by the Q-value
+        const auto& nuc {*data::nuclides[p.event_nuclide()]};
+        if (p.neutron_xs(p.event_nuclide()).total > 0 && nuc.fissionable_) {
+          const auto& rxn {*nuc.fission_rx_[0]};
+          score = p.wgt_last() * rxn.q_value_ *
+                  p.neutron_xs(p.event_nuclide()).fission /
+                  p.neutron_xs(p.event_nuclide()).total * flux;
+        }
+      } else {
+        // Skip any non-absorption events
+        if (p.event() == TallyEvent::SCATTER)
+          continue;
+        // All fission events will contribute, so again we can use particle's
+        // weight entering the collision as the estimate for the fission
+        // reaction rate
+        const auto& nuc {*data::nuclides[p.event_nuclide()]};
+        if (p.neutron_xs(p.event_nuclide()).absorption > 0 &&
+            nuc.fissionable_) {
+          const auto& rxn {*nuc.fission_rx_[0]};
+          score = p.wgt_last() * rxn.q_value_ *
+                  p.neutron_xs(p.event_nuclide()).fission /
+                  p.neutron_xs(p.event_nuclide()).absorption * flux;
+        }
+      }
+      break;
+
+    case SCORE_EVENTS:
+// Simply count the number of scoring events
+#pragma omp atomic
+      tally.results_(filter_index, score_index, TallyResult::VALUE) += 1.0;
+      continue;
+
+    case ELASTIC:
+      if (p.type() != Type::neutron)
+        continue;
+
+      // Check if event MT matches
+      if (p.event_mt() != ELASTIC)
+        continue;
+      score = (p.wgt_last() - wgt_absorb) * flux;
+      break;
+
+    case SCORE_FISS_Q_PROMPT:
+    case SCORE_FISS_Q_RECOV:
+      if (p.macro_xs().fission == 0.)
+        continue;
+      score =
+        score_fission_q(p, score_bin, tally, flux, i_nuclide, atom_density);
+      break;
+
+    case N_2N:
+    case N_3N:
+    case N_4N:
+    case N_GAMMA:
+    case N_P:
+    case N_A:
+      // This case block only works if cross sections for these reactions have
+      // been precalculated. When they are not, we revert to the default case,
+      // which looks up cross sections
+      if (!simulation::need_depletion_rx)
+        goto default_case;
+
+      if (p.type() != Type::neutron)
+        continue;
+
+      // Check if the event MT matches
+      if (p.event_mt() != score_bin)
+        continue;
+      score = (p.wgt_last() - wgt_absorb) * flux;
+      break;
+
+    case COHERENT:
+    case INCOHERENT:
+    case PHOTOELECTRIC:
+    case PAIR_PROD:
+      if (p.type() != Type::photon)
+        continue;
+
+      if (score_bin == PHOTOELECTRIC) {
+        // Photoelectric events are assigned an MT value corresponding to the
+        // shell cross section. Also, photons below the energy cutoff are
+        // assumed to have been absorbed via photoelectric absorption
+        if ((p.event_mt() < 534 || p.event_mt() > 572) &&
+            p.event_mt() != REACTION_NONE)
+          continue;
+      } else {
+        if (p.event_mt() != score_bin)
+          continue;
+      }
+      score = p.wgt_last() * flux;
+      break;
+
+    case HEATING:
+      if (p.type() == Type::neutron) {
+        score = score_neutron_heating(
+          p, tally, flux, HEATING, i_nuclide, atom_density);
+      } else {
+        // The energy deposited is the difference between the pre-collision and
+        // post-collision energy...
+        score = E - p.E();
+
+        // ...less the energy of any secondary particles since they will be
+        // transported individually later
+        const auto& bank = p.secondary_bank();
+        for (auto it = bank.end() - p.n_bank_second(); it < bank.end(); ++it) {
+          score -= it->E;
+        }
+
+        score *= p.wgt_last();
+      }
+      break;
+
+    default:
+    default_case:
+
+      // The default block is really only meant for redundant neutron reactions
+      // (e.g. 444, 901)
+      if (p.type() != Type::neutron)
+        continue;
+
+      // Any other score is assumed to be a MT number. Thus, we just need
+      // to check if it matches the MT number of the event
+      if (p.event_mt() != score_bin)
+        continue;
+      score = (p.wgt_last() - wgt_absorb) * flux;
     }
 
     // Add derivative information on score for differential tallies.
@@ -2129,8 +2231,8 @@ void score_analog_tally_ce(Particle& p)
         // the event nuclide or the total material.  Note that the atomic
         // density argument for score_general is not used for analog tallies.
         if (i_nuclide == p.event_nuclide() || i_nuclide == -1)
-          score_general_ce(p, i_tally, i * tally.scores_.size(), filter_index,
-            filter_weight, i_nuclide, -1.0, flux);
+          score_general_ce_analog(p, i_tally, i * tally.scores_.size(),
+            filter_index, filter_weight, i_nuclide, -1.0, flux);
       }
     }
 
@@ -2234,8 +2336,8 @@ void score_tracklength_tally(Particle& p, double distance)
 
         // TODO: consider replacing this "if" with pointers or templates
         if (settings::run_CE) {
-          score_general_ce(p, i_tally, i * tally.scores_.size(), filter_index,
-            filter_weight, i_nuclide, atom_density, flux);
+          score_general_ce_nonanalog(p, i_tally, i * tally.scores_.size(),
+            filter_index, filter_weight, i_nuclide, atom_density, flux);
         } else {
           score_general_mg(p, i_tally, i * tally.scores_.size(), filter_index,
             filter_weight, i_nuclide, atom_density, flux);
@@ -2295,8 +2397,8 @@ void score_collision_tally(Particle& p)
 
         // TODO: consider replacing this "if" with pointers or templates
         if (settings::run_CE) {
-          score_general_ce(p, i_tally, i * tally.scores_.size(), filter_index,
-            filter_weight, i_nuclide, atom_density, flux);
+          score_general_ce_nonanalog(p, i_tally, i * tally.scores_.size(),
+            filter_index, filter_weight, i_nuclide, atom_density, flux);
         } else {
           score_general_mg(p, i_tally, i * tally.scores_.size(), filter_index,
             filter_weight, i_nuclide, atom_density, flux);

From f4a8f06c82d49509c16195281f58c659a7eb75c0 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Fri, 25 Feb 2022 13:51:03 +0000
Subject: [PATCH 0024/2654] returning to use latest release of NJOY

---
 Dockerfile | 3 +--
 1 file changed, 1 insertion(+), 2 deletions(-)

diff --git a/Dockerfile b/Dockerfile
index d35c6ddeb..bf0bc81cf 100644
--- a/Dockerfile
+++ b/Dockerfile
@@ -56,7 +56,6 @@ ENV LIBMESH_REPO='https://github.com/libMesh/libmesh'
 ENV LIBMESH_INSTALL_DIR=$HOME/LIBMESH
 
 # NJOY variables
-ENV NJOY_TAG='2016.65'
 ENV NJOY_REPO='https://github.com/njoy/NJOY2016'
 
 # Setup environment variables for Docker image
@@ -80,7 +79,7 @@ RUN pip install --upgrade pip
 
 # Clone and install NJOY2016
 RUN cd $HOME \
-    && git clone --single-branch -b ${NJOY_TAG} --depth 1 ${NJOY_REPO} \
+    && git clone --single-branch --depth 1 ${NJOY_REPO} \
     && cd NJOY2016 \
     && mkdir build \
     && cd build \

From 8b6e49df4738b78df40ee91c9cfc963570fd9738 Mon Sep 17 00:00:00 2001
From: Ethan Peterson <ethan.peterson@mit.edu>
Date: Fri, 25 Feb 2022 10:35:26 -0500
Subject: [PATCH 0025/2654] fixing logic for spherical mesh string repr

---
 openmc/mesh.py | 12 ++++++------
 1 file changed, 6 insertions(+), 6 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 1f17dbae2..6c210ae59 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -960,19 +960,19 @@ class SphericalMesh(MeshBase):
         fmt = '{0: <16}{1}{2}\n'
         string = super().__repr__()
         string += fmt.format('\tDimensions', '=\t', self.n_dimension)
-        r_grid_str = str(self._r_grid) if not self._r_grid else len(self._r_grid)
+        r_grid_str = str(self._r_grid) if self._r_grid is None else len(self._r_grid)
         string += fmt.format('\tN R pnts:', '=\t', r_grid_str)
-        if self._r_grid:
+        if self._r_grid is not None:
             string += fmt.format('\tR Min:', '=\t', self._r_grid[0])
             string += fmt.format('\tR Max:', '=\t', self._r_grid[-1])
-        theta_grid_str = str(self._theta_grid) if not self._theta_grid else len(self._theta_grid)
+        theta_grid_str = str(self._theta_grid) if self._theta_grid is None else len(self._theta_grid)
         string += fmt.format('\tN Theta pnts:', '=\t', theta_grid_str)
-        if self._theta_grid:
+        if self._theta_grid is not None:
             string += fmt.format('\tTheta Min:', '=\t', self._theta_grid[0])
             string += fmt.format('\tTheta Max:', '=\t', self._theta_grid[-1])
-        phi_grid_str = str(self._phi_grid) if not self._phi_grid else len(self._phi_grid)
+        phi_grid_str = str(self._phi_grid) if self._phi_grid is None else len(self._phi_grid)
         string += fmt.format('\tN Phi pnts:', '=\t', phi_grid_str)
-        if self._phi_grid:
+        if self._phi_grid is not None:
             string += fmt.format('\tPhi Min:', '=\t', self._phi_grid[0])
             string += fmt.format('\tPhi Max:', '=\t', self._phi_grid[-1])
         return string

From 57bc5490c91fd03ddc81d150c196c45ed66cbe1c Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Fri, 25 Feb 2022 17:23:43 +0000
Subject: [PATCH 0026/2654] added import test for pymoab

---
 Dockerfile | 1 +
 1 file changed, 1 insertion(+)

diff --git a/Dockerfile b/Dockerfile
index bf0bc81cf..367777b6e 100644
--- a/Dockerfile
+++ b/Dockerfile
@@ -119,6 +119,7 @@ RUN if [ "$build_dagmc" = "on" ]; then \
         && make 2>/dev/null -j${compile_cores} install \
         && cd pymoab && bash install.sh \
         && python setup.py install \
+        && python -c "import pymoab" \
         && rm -rf $HOME/MOAB ; \
         # Clone and install Double-Down
         mkdir -p $HOME/Double_down && cd $HOME/Double_down \

From c2ff25881efda9697ce93105d9173d0e5ca10750 Mon Sep 17 00:00:00 2001
From: Jonathan <mail@jshimwell.com>
Date: Fri, 25 Feb 2022 20:33:10 +0000
Subject: [PATCH 0027/2654] added @shimwell for docker

---
 CODEOWNERS | 3 +++
 1 file changed, 3 insertions(+)

diff --git a/CODEOWNERS b/CODEOWNERS
index a061b7b6e..1b5130e0b 100644
--- a/CODEOWNERS
+++ b/CODEOWNERS
@@ -46,3 +46,6 @@ openmc/lib/plot.py @pshriwise
 
 # Resonance covariance
 openmc/data/resonance_covariance.py @icmeyer
+
+# Docker
+Dockerfile @shimwell

From f10d9ac7b629e984fb6fbc9adfde0217a1dacb50 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 25 Feb 2022 16:56:56 -0600
Subject: [PATCH 0028/2654] Making volume retrieval consistent in Python API

---
 openmc/mesh.py | 52 ++++++++++++++++++++++++++++++++++++++++++++++++--
 1 file changed, 50 insertions(+), 2 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 6c210ae59..9a217497f 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -203,6 +203,22 @@ class RegularMesh(MeshBase):
     def num_mesh_cells(self):
         return np.prod(self._dimension)
 
+    @property
+    def volumes(self):
+        """Return Volumes for every mesh cell
+
+        Returns
+        -------
+        volumes : Iterable of float
+            Volumes
+
+        """
+        return np.full(self.dimension, np.prod(self.width))
+
+    @property
+    def total_volume(self):
+        return np.prod(self.dimension) * np.prod(self.width)
+
     @property
     def indices(self):
         ndim = len(self._dimension)
@@ -575,6 +591,26 @@ class RectilinearMesh(MeshBase):
     def z_grid(self):
         return self._z_grid
 
+    @property
+    def volumes(self):
+        """Return Volumes for every mesh cell
+
+        Returns
+        -------
+        volumes : Iterable of float
+            Volumes
+
+        """
+        V_x = np.diff(self.x_grid)
+        V_y = np.diff(self.y_grid)
+        V_z = np.diff(self.z_grid)
+
+        return np.multiply.outer(np.outer(V_x, V_y), V_z)
+
+    @property
+    def total_volume(self):
+        return np.sum(self.volumes)
+
     @property
     def indices(self):
         nx = len(self.x_grid) - 1
@@ -681,6 +717,7 @@ class RectilinearMesh(MeshBase):
 
         return element
 
+
 class CylindricalMesh(MeshBase):
     """A 3D cylindrical mesh
 
@@ -850,7 +887,8 @@ class CylindricalMesh(MeshBase):
         mesh.z_grid = [float(x) for x in get_text(elem, "z_grid").split()]
         return mesh
 
-    def calc_mesh_volumes(self):
+    @property
+    def volumes(self):
         """Return Volumes for every mesh cell
 
         Returns
@@ -1037,7 +1075,8 @@ class SphericalMesh(MeshBase):
         mesh.phi_grid = [float(x) for x in get_text(elem, "phi_grid").split()]
         return mesh
 
-    def calc_mesh_volumes(self):
+    @property
+    def volumes(self):
         """Return Volumes for every mesh cell
 
         Returns
@@ -1150,6 +1189,15 @@ class UnstructuredMesh(MeshBase):
 
     @property
     def volumes(self):
+        """Return Volumes for every mesh cell if
+        populated by a StatePoint file
+
+        Returns
+        -------
+        volumes : Iterable of float
+            Volumes
+
+        """
         return self._volumes
 
     @volumes.setter

From fb1d2ff00b3670a7c6b07541e34d0f83596c6bfd Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 25 Feb 2022 21:34:35 -0600
Subject: [PATCH 0029/2654] Adding volume check to filter mesh test

---
 tests/regression_tests/filter_mesh/test.py | 24 ++++++++++++++++++++++
 1 file changed, 24 insertions(+)

diff --git a/tests/regression_tests/filter_mesh/test.py b/tests/regression_tests/filter_mesh/test.py
index fc24b1b9b..e949c1a4c 100644
--- a/tests/regression_tests/filter_mesh/test.py
+++ b/tests/regression_tests/filter_mesh/test.py
@@ -46,21 +46,45 @@ def model():
     mesh_3d.dimension = [5, 5, 5]
     mesh_3d.lower_left = [-7.5, -7.5, -7.5]
     mesh_3d.upper_right = [7.5, 7.5, 7.5]
+    dx = dy = dz = 15 / 5
+    reg_mesh_exp_vols = np.full(mesh_3d.dimension, dx*dy*dz)
+    np.testing.assert_equal(mesh_3d.volumes, reg_mesh_exp_vols)
+
 
     recti_mesh = openmc.RectilinearMesh()
     recti_mesh.x_grid = np.linspace(-7.5, 7.5, 18)
     recti_mesh.y_grid = np.linspace(-7.5, 7.5, 18)
     recti_mesh.z_grid = np.logspace(0, np.log10(7.5), 11)
+    dx = dy = 15 / 17
+    dz = np.diff(np.logspace(0, np.log10(7.5), 11))
+    dxdy = np.full(recti_mesh.dimension[:2], dx*dy)
+    recti_mesh_exp_vols = np.multiply.outer(dxdy, dz)
+    np.testing.assert_allclose(recti_mesh.volumes, recti_mesh_exp_vols)
 
     cyl_mesh = openmc.CylindricalMesh()
     cyl_mesh.r_grid = np.linspace(0, 7.5, 18)
     cyl_mesh.phi_grid = np.linspace(0, 2*pi, 19)
     cyl_mesh.z_grid = np.linspace(-7.5, 7.5, 17)
 
+    dr = 0.5 * np.diff(np.linspace(0, 7.5, 18)**2)
+    dp = np.full(cyl_mesh.dimension[1], 2*pi / 18)
+    dz = np.full(cyl_mesh.dimension[2], 15 / 16)
+    drdp = np.outer(dr, dp)
+    cyl_mesh_exp_vols = np.multiply.outer(drdp, dz)
+    np.testing.assert_allclose(cyl_mesh.volumes, cyl_mesh_exp_vols)
+
+
     sph_mesh = openmc.SphericalMesh()
     sph_mesh.r_grid = np.linspace(0, 7.5, 18)
     sph_mesh.theta_grid = np.linspace(0, pi, 9)
     sph_mesh.phi_grid = np.linspace(0, 2*pi, 19)
+    dr = np.diff(np.linspace(0, 7.5, 18)**3) / 3
+    dt = np.diff(-np.cos(np.linspace(0, pi, 9)))
+    dp = np.full(sph_mesh.dimension[2], 2*pi / 18)
+    drdt = np.outer(dr, dt)
+    sph_mesh_exp_vols = np.multiply.outer(drdt, dp)
+    np.testing.assert_allclose(sph_mesh.volumes, sph_mesh_exp_vols)
+
 
     # Create filters
     reg_filters = [

From 8bced043f553585ec79ff64d9af79adf9150011d Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Sat, 26 Feb 2022 08:55:40 -0600
Subject: [PATCH 0030/2654] Adding check for dimensionality of the mesh

---
 openmc/mesh.py | 12 ++++++++++--
 1 file changed, 10 insertions(+), 2 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 9a217497f..0de73bbe9 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -59,6 +59,12 @@ class MeshBase(IDManagerMixin, ABC):
         string += '{0: <16}{1}{2}\n'.format('\tName', '=\t', self._name)
         return string
 
+    def _volume_dim_check(self):
+        if len(self.dimension) != 3 or \
+           any([d == 0 for d in self.dimension]):
+            raise RuntimeError(f'Mesh {self.id} is not 3D. '
+                               'Volumes cannot be provided.')
+
     @classmethod
     def from_hdf5(cls, group):
         """Create mesh from HDF5 group
@@ -213,6 +219,7 @@ class RegularMesh(MeshBase):
             Volumes
 
         """
+        self._volume_dim_check()
         return np.full(self.dimension, np.prod(self.width))
 
     @property
@@ -601,6 +608,7 @@ class RectilinearMesh(MeshBase):
             Volumes
 
         """
+        self._volume_dim_check()
         V_x = np.diff(self.x_grid)
         V_y = np.diff(self.y_grid)
         V_z = np.diff(self.z_grid)
@@ -897,7 +905,7 @@ class CylindricalMesh(MeshBase):
             Volumes
 
         """
-
+        self._volume_dim_check()
         V_r = np.diff(np.asarray(self.r_grid)**2 / 2)
         V_p = np.diff(self.phi_grid)
         V_z = np.diff(self.z_grid)
@@ -1085,7 +1093,7 @@ class SphericalMesh(MeshBase):
             Volumes
 
         """
-
+        self._volume_dim_check()
         V_r = np.diff(np.asarray(self.r_grid)**3 / 3)
         V_t = np.diff(-np.cos(self.theta_grid))
         V_p = np.diff(self.phi_grid)

From cc8f1f3e6bd84e078b50b185f55d3786adb2318a Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Mon, 28 Feb 2022 14:10:04 -0600
Subject: [PATCH 0031/2654] Apply suggestions from @paulromano

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/mesh.py                             | 6 +++---
 tests/regression_tests/filter_mesh/test.py | 3 ---
 2 files changed, 3 insertions(+), 6 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 0de73bbe9..2556e4510 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -215,7 +215,7 @@ class RegularMesh(MeshBase):
 
         Returns
         -------
-        volumes : Iterable of float
+        volumes : numpy.ndarray
             Volumes
 
         """
@@ -604,7 +604,7 @@ class RectilinearMesh(MeshBase):
 
         Returns
         -------
-        volumes : Iterable of float
+        volumes : numpy.ndarray
             Volumes
 
         """
@@ -1202,7 +1202,7 @@ class UnstructuredMesh(MeshBase):
 
         Returns
         -------
-        volumes : Iterable of float
+        volumes : numpy.ndarray
             Volumes
 
         """
diff --git a/tests/regression_tests/filter_mesh/test.py b/tests/regression_tests/filter_mesh/test.py
index e949c1a4c..b047dd252 100644
--- a/tests/regression_tests/filter_mesh/test.py
+++ b/tests/regression_tests/filter_mesh/test.py
@@ -50,7 +50,6 @@ def model():
     reg_mesh_exp_vols = np.full(mesh_3d.dimension, dx*dy*dz)
     np.testing.assert_equal(mesh_3d.volumes, reg_mesh_exp_vols)
 
-
     recti_mesh = openmc.RectilinearMesh()
     recti_mesh.x_grid = np.linspace(-7.5, 7.5, 18)
     recti_mesh.y_grid = np.linspace(-7.5, 7.5, 18)
@@ -73,7 +72,6 @@ def model():
     cyl_mesh_exp_vols = np.multiply.outer(drdp, dz)
     np.testing.assert_allclose(cyl_mesh.volumes, cyl_mesh_exp_vols)
 
-
     sph_mesh = openmc.SphericalMesh()
     sph_mesh.r_grid = np.linspace(0, 7.5, 18)
     sph_mesh.theta_grid = np.linspace(0, pi, 9)
@@ -85,7 +83,6 @@ def model():
     sph_mesh_exp_vols = np.multiply.outer(drdt, dp)
     np.testing.assert_allclose(sph_mesh.volumes, sph_mesh_exp_vols)
 
-
     # Create filters
     reg_filters = [
         openmc.MeshFilter(mesh_1d),

From 17b2f5eb6aa703e083101c0df165ba258d5454bd Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Mon, 28 Feb 2022 16:29:32 -0600
Subject: [PATCH 0032/2654] Making all *_grid attributes of mesh numpy arrays

---
 openmc/mesh.py | 46 +++++++++++++++++++++++-----------------------
 1 file changed, 23 insertions(+), 23 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 2556e4510..938211a46 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -557,12 +557,12 @@ class RectilinearMesh(MeshBase):
         The number of mesh cells in each direction.
     n_dimension : int
         Number of mesh dimensions (always 3 for a RectilinearMesh).
-    x_grid : Iterable of float
-        Mesh boundary points along the x-axis.
-    y_grid : Iterable of float
-        Mesh boundary points along the y-axis.
-    z_grid : Iterable of float
-        Mesh boundary points along the z-axis.
+    x_grid : numpy.ndarray
+        1-D array of mesh boundary points along the x-axis.
+    y_grid : numpy.ndarray
+        1-D array of mesh boundary points along the y-axis.
+    z_grid : numpy.ndarray
+        1-D array of mesh boundary points along the z-axis.
     indices : Iterable of tuple
         An iterable of mesh indices for each mesh element, e.g. [(1, 1, 1),
         (2, 1, 1), ...]
@@ -632,17 +632,17 @@ class RectilinearMesh(MeshBase):
     @x_grid.setter
     def x_grid(self, grid):
         cv.check_type('mesh x_grid', grid, Iterable, Real)
-        self._x_grid = grid
+        self._x_grid = np.asarray(grid)
 
     @y_grid.setter
     def y_grid(self, grid):
         cv.check_type('mesh y_grid', grid, Iterable, Real)
-        self._y_grid = grid
+        self._y_grid = np.asarray(grid)
 
     @z_grid.setter
     def z_grid(self, grid):
         cv.check_type('mesh z_grid', grid, Iterable, Real)
-        self._z_grid = grid
+        self._z_grid = np.asarray(grid)
 
     def __repr__(self):
         fmt = '{0: <16}{1}{2}\n'
@@ -746,14 +746,14 @@ class CylindricalMesh(MeshBase):
         The number of mesh cells in each direction.
     n_dimension : int
         Number of mesh dimensions (always 3 for a CylindricalMesh).
-    r_grid : Iterable of float
-        Mesh boundary points along the r-axis.
+    r_grid : numpy.ndarray
+        1-D array of mesh boundary points along the r-axis.
         Requirement is r >= 0.
-    phi_grid : Iterable of float
-        Mesh boundary points along the phi-axis.
+    phi_grid : numpy.ndarray
+        1-D array of mesh boundary points along the phi-axis.
         The default value is [0, 2π], i.e. the full phi range.
-    z_grid : Iterable of float
-        Mesh boundary points along the z-axis.
+    z_grid : numpy.ndarray
+        1-D array of mesh boundary points along the z-axis.
     indices : Iterable of tuple
         An iterable of mesh indices for each mesh element, e.g. [(1, 1, 1),
         (2, 1, 1), ...]
@@ -802,7 +802,7 @@ class CylindricalMesh(MeshBase):
     @r_grid.setter
     def r_grid(self, grid):
         cv.check_type('mesh r_grid', grid, Iterable, Real)
-        self._r_grid = grid
+        self._r_grid = np.asarray(grid)
 
     @phi_grid.setter
     def phi_grid(self, grid):
@@ -933,14 +933,14 @@ class SphericalMesh(MeshBase):
         The number of mesh cells in each direction.
     n_dimension : int
         Number of mesh dimensions (always 3 for a SphericalMesh).
-    r_grid : Iterable of float
-        Mesh boundary points along the r-axis.
+    r_grid : numpy.ndarray
+        1-D array of mesh boundary points along the r-axis.
         Requirement is r >= 0.
-    theta_grid : Iterable of float
-        Mesh boundary points along the theta-axis in degrees.
+    theta_grid : numpy.ndarray
+        1-D array of mesh boundary points along the theta-axis in degrees.
         The default value is [0, π], i.e. the full theta range.
-    phi_grid : Iterable of float
-        Mesh boundary points along the phi-axis in degrees.
+    phi_grid : numpy.ndarray
+        1-D array of mesh boundary points along the phi-axis in degrees.
         The default value is [0, 2π], i.e. the full phi range.
     indices : Iterable of tuple
         An iterable of mesh indices for each mesh element, e.g. [(1, 1, 1),
@@ -990,7 +990,7 @@ class SphericalMesh(MeshBase):
     @r_grid.setter
     def r_grid(self, grid):
         cv.check_type('mesh r_grid', grid, Iterable, Real)
-        self._r_grid = grid
+        self._r_grid = np.asarray(grid)
 
     @theta_grid.setter
     def theta_grid(self, grid):

From 2bb6ba25af85e4f91cc241a9139d623f98387881 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 1 Mar 2022 14:33:15 -0600
Subject: [PATCH 0033/2654] Remove alive_ data member on ParticleData

---
 include/openmc/particle_data.h |  7 +++----
 src/particle.cpp               | 11 +++++------
 src/physics.cpp                | 13 ++++++-------
 src/physics_common.cpp         |  1 -
 src/physics_mg.cpp             |  2 +-
 src/tallies/tally_scoring.cpp  |  5 ++---
 src/weight_windows.cpp         |  1 -
 7 files changed, 17 insertions(+), 23 deletions(-)

diff --git a/include/openmc/particle_data.h b/include/openmc/particle_data.h
index a1804f7be..ee0dc6dfc 100644
--- a/include/openmc/particle_data.h
+++ b/include/openmc/particle_data.h
@@ -235,7 +235,6 @@ private:
   double mu_;              //!< angle of scatter
   double time_ {0.0};      //!< time in [s]
   double time_last_ {0.0}; //!< previous time in [s]
-  bool alive_ {true};      //!< is particle alive?
 
   // Other physical data
   Position r_last_current_; //!< coordinates of the last collision or
@@ -309,7 +308,8 @@ private:
 
   // Weight window information
   int n_split_ {0}; // Number of times this particle has been split
-  double ww_factor_ {0.0}; // Particle-specific factor for on-the-fly weight window adjustment
+  double ww_factor_ {
+    0.0}; // Particle-specific factor for on-the-fly weight window adjustment
 
 // DagMC state variables
 #ifdef DAGMC
@@ -342,7 +342,6 @@ public:
   const LocalCoord& coord(int i) const { return coord_[i]; }
   const vector<LocalCoord>& coord() const { return coord_; }
 
-
   int& n_coord_last() { return n_coord_last_; }
   const int& n_coord_last() const { return n_coord_last_; }
   int& cell_last(int i) { return cell_last_[i]; }
@@ -364,7 +363,7 @@ public:
   const double& time() const { return time_; }
   double& time_last() { return time_last_; }
   const double& time_last() const { return time_last_; }
-  bool& alive() { return alive_; }
+  bool alive() { return wgt_ > 0.0; }
 
   Position& r_last_current() { return r_last_current_; }
   const Position& r_last_current() const { return r_last_current_; }
diff --git a/src/particle.cpp b/src/particle.cpp
index b3dd72d9a..b622a4d69 100644
--- a/src/particle.cpp
+++ b/src/particle.cpp
@@ -86,7 +86,6 @@ void Particle::from_source(const SourceSite* src)
 {
   // Reset some attributes
   clear();
-  alive() = true;
   surface() = 0;
   cell_born() = C_NONE;
   material() = C_NONE;
@@ -333,7 +332,7 @@ void Particle::event_revive_from_secondary()
   if (n_event() == MAX_EVENTS) {
     warning("Particle " + std::to_string(id()) +
             " underwent maximum number of events.");
-    alive() = false;
+    wgt() = 0.0;
   }
 
   // Check for secondary particles if this particle is dead
@@ -483,9 +482,6 @@ void Particle::cross_surface()
 
 void Particle::cross_vacuum_bc(const Surface& surf)
 {
-  // Kill the particle
-  alive() = false;
-
   // Score any surface current tallies -- note that the particle is moved
   // forward slightly so that if the mesh boundary is on the surface, it is
   // still processed
@@ -501,6 +497,9 @@ void Particle::cross_vacuum_bc(const Surface& surf)
   // Score to global leakage tally
   keff_tally_leakage() += wgt();
 
+  // Kill the particle
+  wgt() = 0.0;
+
   // Display message
   if (settings::verbosity >= 10 || trace()) {
     write_message(1, "    Leaked out of surface {}", surf.id_);
@@ -618,7 +617,7 @@ void Particle::mark_as_lost(const char* message)
   write_restart();
 
   // Increment number of lost particles
-  alive() = false;
+  wgt() = 0.0;
 #pragma omp atomic
   simulation::n_lost_particles += 1;
 
diff --git a/src/physics.cpp b/src/physics.cpp
index edc581c42..13dd063de 100644
--- a/src/physics.cpp
+++ b/src/physics.cpp
@@ -66,7 +66,6 @@ void collision(Particle& p)
   // Kill particle if energy falls below cutoff
   int type = static_cast<int>(p.type());
   if (p.E() < settings::energy_cutoff[type]) {
-    p.alive() = false;
     p.wgt() = 0.0;
   }
 
@@ -272,7 +271,7 @@ void sample_photon_reaction(Particle& p)
   int photon = static_cast<int>(ParticleType::photon);
   if (p.E() < settings::energy_cutoff[photon]) {
     p.E() = 0.0;
-    p.alive() = false;
+    p.wgt() = 0.0;
     return;
   }
 
@@ -397,7 +396,7 @@ void sample_photon_reaction(Particle& p)
         element.atomic_relaxation(i_shell, p);
         p.event() = TallyEvent::ABSORB;
         p.event_mt() = 533 + shell.index_subshell;
-        p.alive() = false;
+        p.wgt() = 0.0;
         p.E() = 0.0;
         return;
       }
@@ -423,7 +422,7 @@ void sample_photon_reaction(Particle& p)
 
     p.event() = TallyEvent::ABSORB;
     p.event_mt() = PAIR_PROD;
-    p.alive() = false;
+    p.wgt() = 0.0;
     p.E() = 0.0;
   }
 }
@@ -438,7 +437,7 @@ void sample_electron_reaction(Particle& p)
   }
 
   p.E() = 0.0;
-  p.alive() = false;
+  p.wgt() = 0.0;
   p.event() = TallyEvent::ABSORB;
 }
 
@@ -459,7 +458,7 @@ void sample_positron_reaction(Particle& p)
   p.create_secondary(p.wgt(), -u, MASS_ELECTRON_EV, ParticleType::photon);
 
   p.E() = 0.0;
-  p.alive() = false;
+  p.wgt() = 0.0;
   p.event() = TallyEvent::ABSORB;
 }
 
@@ -634,7 +633,7 @@ void absorption(Particle& p, int i_nuclide)
                                      p.neutron_xs(i_nuclide).absorption;
       }
 
-      p.alive() = false;
+      p.wgt() = 0.0;
       p.event() = TallyEvent::ABSORB;
       p.event_mt() = N_DISAPPEAR;
     }
diff --git a/src/physics_common.cpp b/src/physics_common.cpp
index 7e65c9bbf..e25ae6b97 100644
--- a/src/physics_common.cpp
+++ b/src/physics_common.cpp
@@ -15,7 +15,6 @@ void russian_roulette(Particle& p, double weight_survive)
     p.wgt() = weight_survive;
   } else {
     p.wgt() = 0.;
-    p.alive() = false;
   }
 }
 
diff --git a/src/physics_mg.cpp b/src/physics_mg.cpp
index 6e89fde5e..ab1fdef02 100644
--- a/src/physics_mg.cpp
+++ b/src/physics_mg.cpp
@@ -226,7 +226,7 @@ void absorption(Particle& p)
     if (p.macro_xs().absorption > prn(p.current_seed()) * p.macro_xs().total) {
       p.keff_tally_absorption() +=
         p.wgt() * p.macro_xs().nu_fission / p.macro_xs().absorption;
-      p.alive() = false;
+      p.wgt() = 0.0;
       p.event() = TallyEvent::ABSORB;
     }
   }
diff --git a/src/tallies/tally_scoring.cpp b/src/tallies/tally_scoring.cpp
index e3104f59a..230a06def 100644
--- a/src/tallies/tally_scoring.cpp
+++ b/src/tallies/tally_scoring.cpp
@@ -2319,8 +2319,7 @@ void score_collision_tally(Particle& p)
 
 void score_surface_tally(Particle& p, const vector<int>& tallies)
 {
-  // No collision, so no weight change when survival biasing
-  double flux = p.wgt();
+  double current = p.wgt_last();
 
   for (auto i_tally : tallies) {
     auto& tally {*model::tallies[i_tally]};
@@ -2341,7 +2340,7 @@ void score_surface_tally(Particle& p, const vector<int>& tallies)
       // Loop over scores.
       // There is only one score type for current tallies so there is no need
       // for a further scoring function.
-      double score = flux * filter_weight;
+      double score = current * filter_weight;
       for (auto score_index = 0; score_index < tally.scores_.size();
            ++score_index) {
 #pragma omp atomic
diff --git a/src/weight_windows.cpp b/src/weight_windows.cpp
index e753fc6ac..94c6c5908 100644
--- a/src/weight_windows.cpp
+++ b/src/weight_windows.cpp
@@ -52,7 +52,6 @@ void apply_weight_windows(Particle& p)
 
   // first check to see if particle should be killed for weight cutoff
   if (p.wgt() < weight_window.weight_cutoff) {
-    p.alive() = false;
     p.wgt() = 0.0;
     return;
   }

From 6bafc9ab92221957744892c995419cdb25a4665a Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Tue, 1 Mar 2022 16:52:21 -0600
Subject: [PATCH 0034/2654] Apply suggestions from @eepeterson

Co-authored-by: Ethan Peterson <ethan.peterson@mit.edu>
---
 openmc/mesh.py | 6 +++---
 1 file changed, 3 insertions(+), 3 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 938211a46..40d56f502 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -750,7 +750,7 @@ class CylindricalMesh(MeshBase):
         1-D array of mesh boundary points along the r-axis.
         Requirement is r >= 0.
     phi_grid : numpy.ndarray
-        1-D array of mesh boundary points along the phi-axis.
+        1-D array of mesh boundary points along the phi-axis in radians.
         The default value is [0, 2π], i.e. the full phi range.
     z_grid : numpy.ndarray
         1-D array of mesh boundary points along the z-axis.
@@ -937,10 +937,10 @@ class SphericalMesh(MeshBase):
         1-D array of mesh boundary points along the r-axis.
         Requirement is r >= 0.
     theta_grid : numpy.ndarray
-        1-D array of mesh boundary points along the theta-axis in degrees.
+        1-D array of mesh boundary points along the theta-axis in radians.
         The default value is [0, π], i.e. the full theta range.
     phi_grid : numpy.ndarray
-        1-D array of mesh boundary points along the phi-axis in degrees.
+        1-D array of mesh boundary points along the phi-axis in radians.
         The default value is [0, 2π], i.e. the full phi range.
     indices : Iterable of tuple
         An iterable of mesh indices for each mesh element, e.g. [(1, 1, 1),

From d2ddc6e7ad165028b41a5d52415c907792b7ef52 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 1 Mar 2022 17:05:17 -0600
Subject: [PATCH 0035/2654] Particle is alive is wgt != 0

---
 include/openmc/particle_data.h | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/include/openmc/particle_data.h b/include/openmc/particle_data.h
index ee0dc6dfc..e32451f3a 100644
--- a/include/openmc/particle_data.h
+++ b/include/openmc/particle_data.h
@@ -363,7 +363,7 @@ public:
   const double& time() const { return time_; }
   double& time_last() { return time_last_; }
   const double& time_last() const { return time_last_; }
-  bool alive() { return wgt_ > 0.0; }
+  bool alive() { return wgt_ != 0.0; }
 
   Position& r_last_current() { return r_last_current_; }
   const Position& r_last_current() const { return r_last_current_; }

From 50a35cf7f3c9ef6c20a910fbfdffc53ce4515e8c Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 2 Mar 2022 15:31:02 -0600
Subject: [PATCH 0036/2654] Make ParticleData::alive() a const method

---
 include/openmc/particle_data.h | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/include/openmc/particle_data.h b/include/openmc/particle_data.h
index e32451f3a..ddf072517 100644
--- a/include/openmc/particle_data.h
+++ b/include/openmc/particle_data.h
@@ -363,7 +363,7 @@ public:
   const double& time() const { return time_; }
   double& time_last() { return time_last_; }
   const double& time_last() const { return time_last_; }
-  bool alive() { return wgt_ != 0.0; }
+  bool alive() const { return wgt_ != 0.0; }
 
   Position& r_last_current() { return r_last_current_; }
   const Position& r_last_current() const { return r_last_current_; }

From 51b6d591052fa14139817f5da1b6887b38c450e5 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Thu, 3 Mar 2022 18:14:17 +0000
Subject: [PATCH 0037/2654] minimal changes to allow mat objects not id strings

---
 openmc/deplete/results.py                    |  2 ++
 openmc/deplete/results_list.py               | 15 ++++++++-------
 tests/unit_tests/test_deplete_activation.py  |  4 ++--
 tests/unit_tests/test_deplete_integrator.py  |  8 ++++++--
 tests/unit_tests/test_deplete_restart.py     |  7 +++++--
 tests/unit_tests/test_deplete_resultslist.py | 15 ++++++++++-----
 6 files changed, 33 insertions(+), 18 deletions(-)

diff --git a/openmc/deplete/results.py b/openmc/deplete/results.py
index cda1864a1..89c6f8874 100644
--- a/openmc/deplete/results.py
+++ b/openmc/deplete/results.py
@@ -86,6 +86,8 @@ class Results:
 
         """
         stage, mat, nuc = pos
+        if isinstance(mat, openmc.Material):
+            mat = str(mat.id)
         if isinstance(mat, str):
             mat = self.mat_to_ind[mat]
         if isinstance(nuc, str):
diff --git a/openmc/deplete/results_list.py b/openmc/deplete/results_list.py
index a9a0e5211..9ffbe6e73 100644
--- a/openmc/deplete/results_list.py
+++ b/openmc/deplete/results_list.py
@@ -58,8 +58,8 @@ class ResultsList(list):
 
         Parameters
         ----------
-        mat : str
-            Material name to evaluate
+        mat : openmc.Material
+            Material object to evaluate
         nuc : str
             Nuclide name to evaluate
         nuc_units : {"atoms", "atom/b-cm", "atom/cm3"}, optional
@@ -84,13 +84,14 @@ class ResultsList(list):
         cv.check_value("nuc_units", nuc_units,
                     {"atoms", "atom/b-cm", "atom/cm3"})
 
+        mat_id = str(mat.id)
         times = np.empty_like(self, dtype=float)
         concentrations = np.empty_like(self, dtype=float)
 
         # Evaluate value in each region
         for i, result in enumerate(self):
             times[i] = result.time[0]
-            concentrations[i] = result[0, mat, nuc]
+            concentrations[i] = result[0, mat_id, nuc]
 
         # Unit conversions
         if time_units == "d":
@@ -102,7 +103,7 @@ class ResultsList(list):
 
         if nuc_units != "atoms":
             # Divide by volume to get density
-            concentrations /= self[0].volume[mat]
+            concentrations /= self[0].volume[mat_id]
             if nuc_units == "atom/b-cm":
                 # 1 barn = 1e-24 cm^2
                 concentrations *= 1e-24
@@ -122,8 +123,8 @@ class ResultsList(list):
 
         Parameters
         ----------
-        mat : str
-            Material name to evaluate
+        mat : openmc.Material
+            Material object to evaluate
         nuc : str
             Nuclide name to evaluate
         rx : str
@@ -143,7 +144,7 @@ class ResultsList(list):
         # Evaluate value in each region
         for i, result in enumerate(self):
             times[i] = result.time[0]
-            rates[i] = result.rates[0].get(mat, nuc, rx) * result[0, mat, nuc]
+            rates[i] = result.rates[0].get(str(mat.id), nuc, rx) * result[0, mat, nuc]
 
         return times, rates
 
diff --git a/tests/unit_tests/test_deplete_activation.py b/tests/unit_tests/test_deplete_activation.py
index 37b29e1ea..5ad560019 100644
--- a/tests/unit_tests/test_deplete_activation.py
+++ b/tests/unit_tests/test_deplete_activation.py
@@ -108,7 +108,7 @@ def test_activation(run_in_tmpdir, model, reaction_rate_mode, reaction_rate_opts
 
     # Get resulting number of atoms
     results = openmc.deplete.ResultsList.from_hdf5('depletion_results.h5')
-    _, atoms = results.get_atoms(str(w.id), "W186")
+    _, atoms = results.get_atoms(w.id, "W186")
 
     assert atoms[0] == pytest.approx(n0)
     assert atoms[1] / atoms[0] == pytest.approx(0.5, rel=tolerance)
@@ -156,7 +156,7 @@ def test_decay(run_in_tmpdir):
 
     # Get resulting number of atoms
     results = openmc.deplete.ResultsList.from_hdf5('depletion_results.h5')
-    _, atoms = results.get_atoms(str(mat.id), "Sr89")
+    _, atoms = results.get_atoms(mat, "Sr89")
 
     # Ensure density goes down by a factor of 2 after each half-life
     assert atoms[1] / atoms[0] == pytest.approx(0.5)
diff --git a/tests/unit_tests/test_deplete_integrator.py b/tests/unit_tests/test_deplete_integrator.py
index a08d8738c..c22f075aa 100644
--- a/tests/unit_tests/test_deplete_integrator.py
+++ b/tests/unit_tests/test_deplete_integrator.py
@@ -14,6 +14,7 @@ import numpy as np
 from uncertainties import ufloat
 import pytest
 
+from openmc import Material
 from openmc.mpi import comm
 from openmc.deplete import (
     ReactionRates, Results, ResultsList, OperatorResult, PredictorIntegrator,
@@ -179,8 +180,11 @@ def test_integrator(run_in_tmpdir, scheme):
     res = ResultsList.from_hdf5(
         operator.output_dir / "depletion_results.h5")
 
-    t1, y1 = res.get_atoms("1", "1")
-    t2, y2 = res.get_atoms("1", "2")
+    mat = Material()
+    mat.id = 1
+
+    t1, y1 = res.get_atoms(mat, "1")
+    t2, y2 = res.get_atoms(mat, "2")
 
     assert (t1 == [0.0, 0.75, 1.5]).all()
     assert y1 == pytest.approx(bundle.atoms_1)
diff --git a/tests/unit_tests/test_deplete_restart.py b/tests/unit_tests/test_deplete_restart.py
index 82ef05ac7..f396a8b8f 100644
--- a/tests/unit_tests/test_deplete_restart.py
+++ b/tests/unit_tests/test_deplete_restart.py
@@ -87,8 +87,11 @@ def test_restart(run_in_tmpdir, scheme):
     results = openmc.deplete.ResultsList.from_hdf5(
         operator.output_dir / "depletion_results.h5")
 
-    _t, y1 = results.get_atoms("1", "1")
-    _t, y2 = results.get_atoms("1", "2")
+    mat = openmc.Material()
+    mat.id = 1
+
+    _t, y1 = results.get_atoms(mat, "1")
+    _t, y2 = results.get_atoms(mat, "2")
 
     assert y1 == pytest.approx(bundle.atoms_1)
     assert y2 == pytest.approx(bundle.atoms_2)
diff --git a/tests/unit_tests/test_deplete_resultslist.py b/tests/unit_tests/test_deplete_resultslist.py
index 5d8fb11e4..96bbcab77 100644
--- a/tests/unit_tests/test_deplete_resultslist.py
+++ b/tests/unit_tests/test_deplete_resultslist.py
@@ -18,7 +18,10 @@ def res():
 
 def test_get_atoms(res):
     """Tests evaluating single nuclide concentration."""
-    t, n = res.get_atoms("1", "Xe135")
+    mat = openmc.Material()
+    mat.id = 1
+
+    t, n = res.get_atoms(mat, "Xe135")
 
     t_ref = np.array([0.0, 1296000.0, 2592000.0, 3888000.0])
     n_ref = np.array(
@@ -30,22 +33,24 @@ def test_get_atoms(res):
     # Check alternate units
     volume = res[0].volume["1"]
 
-    t_days, n_cm3 = res.get_atoms("1", "Xe135", nuc_units="atom/cm3", time_units="d")
+    t_days, n_cm3 = res.get_atoms(mat, "Xe135", nuc_units="atom/cm3", time_units="d")
 
     assert t_days == pytest.approx(t_ref / (60 * 60 * 24))
     assert n_cm3 == pytest.approx(n_ref / volume)
 
-    t_min, n_bcm = res.get_atoms("1", "Xe135", nuc_units="atom/b-cm", time_units="min")
+    t_min, n_bcm = res.get_atoms(mat, "Xe135", nuc_units="atom/b-cm", time_units="min")
     assert n_bcm == pytest.approx(n_cm3 * 1e-24)
     assert t_min == pytest.approx(t_ref / 60)
 
-    t_hour, _n = res.get_atoms("1", "Xe135", time_units="h")
+    t_hour, _n = res.get_atoms(mat, "Xe135", time_units="h")
     assert t_hour == pytest.approx(t_ref / (60 * 60))
 
 
 def test_get_reaction_rate(res):
     """Tests evaluating reaction rate."""
-    t, r = res.get_reaction_rate("1", "Xe135", "(n,gamma)")
+    mat = openmc.Material()
+    mat.id = 1
+    t, r = res.get_reaction_rate(mat, "Xe135", "(n,gamma)")
 
     t_ref = [0.0, 1296000.0, 2592000.0, 3888000.0]
     n_ref = [6.67473282e+08, 3.72442707e+14, 3.61129692e+14, 4.01920099e+14]

From 504d58f04564c79b4b83e40467104e395f3ea9b9 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Thu, 3 Mar 2022 18:18:39 +0000
Subject: [PATCH 0038/2654] passing arg of type material not string

---
 examples/pincell_depletion/restart_depletion.py | 4 ++--
 examples/pincell_depletion/run_depletion.py     | 4 ++--
 2 files changed, 4 insertions(+), 4 deletions(-)

diff --git a/examples/pincell_depletion/restart_depletion.py b/examples/pincell_depletion/restart_depletion.py
index fd0a4a8dd..991120399 100644
--- a/examples/pincell_depletion/restart_depletion.py
+++ b/examples/pincell_depletion/restart_depletion.py
@@ -62,10 +62,10 @@ results = openmc.deplete.ResultsList.from_hdf5("depletion_results.h5")
 time, keff = results.get_eigenvalue()
 
 # Obtain U235 concentration as a function of time
-time, n_U235 = results.get_atoms('1', 'U235')
+time, n_U235 = results.get_atoms(uo2, 'U235')
 
 # Obtain Xe135 capture reaction rate as a function of time
-time, Xe_capture = results.get_reaction_rate('1', 'Xe135', '(n,gamma)')
+time, Xe_capture = results.get_reaction_rate(uo2, 'Xe135', '(n,gamma)')
 
 ###############################################################################
 #                            Generate plots
diff --git a/examples/pincell_depletion/run_depletion.py b/examples/pincell_depletion/run_depletion.py
index 45dfd2a87..75bc3b542 100644
--- a/examples/pincell_depletion/run_depletion.py
+++ b/examples/pincell_depletion/run_depletion.py
@@ -107,10 +107,10 @@ results = openmc.deplete.ResultsList.from_hdf5("depletion_results.h5")
 time, keff = results.get_eigenvalue()
 
 # Obtain U235 concentration as a function of time
-time, n_U235 = results.get_atoms('1', 'U235')
+time, n_U235 = results.get_atoms(uo2, 'U235')
 
 # Obtain Xe135 capture reaction rate as a function of time
-time, Xe_capture = results.get_reaction_rate('1', 'Xe135', '(n,gamma)')
+time, Xe_capture = results.get_reaction_rate(uo2, 'Xe135', '(n,gamma)')
 
 ###############################################################################
 #                            Generate plots

From 130b3a2dc62c55b2c726d12886a897fe0cd95866 Mon Sep 17 00:00:00 2001
From: shimwell <mail@jshimwell.com>
Date: Thu, 3 Mar 2022 19:14:00 +0000
Subject: [PATCH 0039/2654] corrected arg type to material

---
 tests/unit_tests/test_deplete_activation.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/tests/unit_tests/test_deplete_activation.py b/tests/unit_tests/test_deplete_activation.py
index 5ad560019..2f02ec4b8 100644
--- a/tests/unit_tests/test_deplete_activation.py
+++ b/tests/unit_tests/test_deplete_activation.py
@@ -108,7 +108,7 @@ def test_activation(run_in_tmpdir, model, reaction_rate_mode, reaction_rate_opts
 
     # Get resulting number of atoms
     results = openmc.deplete.ResultsList.from_hdf5('depletion_results.h5')
-    _, atoms = results.get_atoms(w.id, "W186")
+    _, atoms = results.get_atoms(w, "W186")
 
     assert atoms[0] == pytest.approx(n0)
     assert atoms[1] / atoms[0] == pytest.approx(0.5, rel=tolerance)

From cf273b35a3b59cd4088364a793025dec0053ce47 Mon Sep 17 00:00:00 2001
From: Bob <burberger@gmail.com>
Date: Thu, 3 Mar 2022 17:20:44 -0800
Subject: [PATCH 0040/2654] Fix package_data specification to include pyx files
 for Cython builds. This fixes building of a standalone distributable python
 package.

---
 setup.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/setup.py b/setup.py
index f2a9929ae..1b2b66a91 100755
--- a/setup.py
+++ b/setup.py
@@ -32,7 +32,7 @@ kwargs = {
     # Data files and librarries
     'package_data': {
         'openmc.lib': ['libopenmc.{}'.format(suffix)],
-        'openmc.data': ['mass16.txt', 'BREMX.DAT', '*.h5'],
+        'openmc.data': ['mass16.txt', 'BREMX.DAT', '*.h5', '*.pyx'],
         'openmc.data.effective_dose': ['*.txt']
     },
 

From aeb7cbd0e218cf53b4a89d26745d6109f866dec2 Mon Sep 17 00:00:00 2001
From: Bob <burberger@gmail.com>
Date: Thu, 3 Mar 2022 23:06:37 -0800
Subject: [PATCH 0041/2654] Use statement in MANIFEST.in instead

---
 MANIFEST.in | 4 ++--
 setup.py    | 4 ++--
 2 files changed, 4 insertions(+), 4 deletions(-)

diff --git a/MANIFEST.in b/MANIFEST.in
index e660a1161..b9f5f21cd 100644
--- a/MANIFEST.in
+++ b/MANIFEST.in
@@ -27,7 +27,7 @@ recursive-include examples *.py
 recursive-include examples *.xml
 recursive-include include *.h
 recursive-include man *.1
-recursive-inlcude openmc *.pyx
+recursive-include openmc *.pyx
 recursive-include openmc *.c
 recursive-include src *.c
 recursive-include src *.cc
@@ -38,7 +38,7 @@ recursive-include src *.rnc
 recursive-include src *.rng
 recursive-include tests *.dat
 recursive-include tests *.h5
-recursive-inlcude tests *.h5m
+recursive-include tests *.h5m
 recursive-include tests *.py
 recursive-include tests *.xml
 recursive-include vendor CMakeLists.txt
diff --git a/setup.py b/setup.py
index 1b2b66a91..b2e3f160a 100755
--- a/setup.py
+++ b/setup.py
@@ -29,10 +29,10 @@ kwargs = {
     'packages': find_packages(exclude=['tests*']),
     'scripts': glob.glob('scripts/openmc-*'),
 
-    # Data files and librarries
+    # Data files and libraries
     'package_data': {
         'openmc.lib': ['libopenmc.{}'.format(suffix)],
-        'openmc.data': ['mass16.txt', 'BREMX.DAT', '*.h5', '*.pyx'],
+        'openmc.data': ['mass16.txt', 'BREMX.DAT', '*.h5'],
         'openmc.data.effective_dose': ['*.txt']
     },
 

From 48f3321e3d6b23cef9e09522b41eb53bd0dc09ae Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 4 Mar 2022 07:25:44 -0600
Subject: [PATCH 0042/2654] Allow meshes with same ID to appear in different
 files

---
 src/mesh.cpp | 30 ++++++++++++++++++++----------
 1 file changed, 20 insertions(+), 10 deletions(-)

diff --git a/src/mesh.cpp b/src/mesh.cpp
index 9310248c3..78e2e8952 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -21,6 +21,7 @@
 
 #include "openmc/capi.h"
 #include "openmc/constants.h"
+#include "openmc/container_util.h"
 #include "openmc/error.h"
 #include "openmc/file_utils.h"
 #include "openmc/hdf5_interface.h"
@@ -97,16 +98,8 @@ inline bool check_intersection_point(double x1, double x0, double y1, double y0,
 
 Mesh::Mesh(pugi::xml_node node)
 {
-  // Copy mesh id
-  if (check_for_node(node, "id")) {
-    id_ = std::stoi(get_node_value(node, "id"));
-
-    // Check to make sure 'id' hasn't been used
-    if (model::mesh_map.find(id_) != model::mesh_map.end()) {
-      fatal_error(
-        "Two or more meshes use the same unique ID: " + std::to_string(id_));
-    }
-  }
+  // Read mesh id
+  id_ = std::stoi(get_node_value(node, "id"));
 }
 
 void Mesh::set_id(int32_t id)
@@ -2568,7 +2561,24 @@ double LibMesh::volume(int bin) const
 
 void read_meshes(pugi::xml_node root)
 {
+  std::unordered_set<int> mesh_ids;
+
   for (auto node : root.children("mesh")) {
+    // Check to make sure multiple meshes in the same file don't share IDs
+    int id = std::stoi(get_node_value(node, "id"));
+    if (contains(mesh_ids, id)) {
+      fatal_error(
+        "Two or more meshes use the same unique ID: " + std::to_string(id));
+    }
+    mesh_ids.insert(id);
+
+    // If we've already read a mesh with the same ID in a *different* file,
+    // assume it is the same here
+    if (model::mesh_map.find(id) != model::mesh_map.end()) {
+      warning(fmt::format("Mesh with ID={} appears in multiple files.", id));
+      continue;
+    }
+
     std::string mesh_type;
     if (check_for_node(node, "type")) {
       mesh_type = get_node_value(node, "type", true, true);

From 093886a4eba866e5b084447ee5993214cc5b6f28 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <drshimwell@gmail.com>
Date: Fri, 4 Mar 2022 14:07:16 +0000
Subject: [PATCH 0043/2654] [skip ci] suggestion from review by @Paulromano

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/deplete/results_list.py | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/openmc/deplete/results_list.py b/openmc/deplete/results_list.py
index 9ffbe6e73..30ade440c 100644
--- a/openmc/deplete/results_list.py
+++ b/openmc/deplete/results_list.py
@@ -84,7 +84,8 @@ class ResultsList(list):
         cv.check_value("nuc_units", nuc_units,
                     {"atoms", "atom/b-cm", "atom/cm3"})
 
-        mat_id = str(mat.id)
+        if isinstance(mat, openmc.Material):
+            mat = mat.id
         times = np.empty_like(self, dtype=float)
         concentrations = np.empty_like(self, dtype=float)
 

From 00ebf5706cc72dc3c2955f99c81458869699877b Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Fri, 4 Mar 2022 14:24:43 +0000
Subject: [PATCH 0044/2654] accepting str or Material types

---
 openmc/deplete/results_list.py | 24 ++++++++++++++++++------
 1 file changed, 18 insertions(+), 6 deletions(-)

diff --git a/openmc/deplete/results_list.py b/openmc/deplete/results_list.py
index 9ffbe6e73..a9e55c177 100644
--- a/openmc/deplete/results_list.py
+++ b/openmc/deplete/results_list.py
@@ -58,8 +58,8 @@ class ResultsList(list):
 
         Parameters
         ----------
-        mat : openmc.Material
-            Material object to evaluate
+        mat : openmc.Material, str
+            Material object or material id to evaluate
         nuc : str
             Nuclide name to evaluate
         nuc_units : {"atoms", "atom/b-cm", "atom/cm3"}, optional
@@ -84,7 +84,12 @@ class ResultsList(list):
         cv.check_value("nuc_units", nuc_units,
                     {"atoms", "atom/b-cm", "atom/cm3"})
 
-        mat_id = str(mat.id)
+        if isinstance(mat, Material):
+            mat_id = str(mat.id)
+        elif isinstance(mat, str):
+            mat_id = mat
+        else:
+            raise TypeError('mat should be of type openmc.Material or str')
         times = np.empty_like(self, dtype=float)
         concentrations = np.empty_like(self, dtype=float)
 
@@ -123,8 +128,8 @@ class ResultsList(list):
 
         Parameters
         ----------
-        mat : openmc.Material
-            Material object to evaluate
+        mat : openmc.Material, str
+            Material object or material id to evaluate
         nuc : str
             Nuclide name to evaluate
         rx : str
@@ -141,10 +146,17 @@ class ResultsList(list):
         times = np.empty_like(self, dtype=float)
         rates = np.empty_like(self, dtype=float)
 
+        if isinstance(mat, Material):
+            mat_id = str(mat.id)
+        elif isinstance(mat, str):
+            mat_id = mat
+        else:
+            raise TypeError('mat should be of type openmc.Material or str')
+
         # Evaluate value in each region
         for i, result in enumerate(self):
             times[i] = result.time[0]
-            rates[i] = result.rates[0].get(str(mat.id), nuc, rx) * result[0, mat, nuc]
+            rates[i] = result.rates[0].get(mat_id, nuc, rx) * result[0, mat, nuc]
 
         return times, rates
 

From 8418eaeedbeac03848780f64a873af9caf1f5290 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 4 Mar 2022 10:13:05 -0600
Subject: [PATCH 0045/2654] Update troubleshooting guide with better
 instructions for geometry debugging

---
 docs/source/usersguide/troubleshoot.rst | 96 +++++++++++++------------
 1 file changed, 52 insertions(+), 44 deletions(-)

diff --git a/docs/source/usersguide/troubleshoot.rst b/docs/source/usersguide/troubleshoot.rst
index 06e5c5704..888158837 100644
--- a/docs/source/usersguide/troubleshoot.rst
+++ b/docs/source/usersguide/troubleshoot.rst
@@ -15,13 +15,15 @@ error you are receiving is among the following options.
 Problems with Simulations
 -------------------------
 
-Segmentation Fault
-******************
+RuntimeError: OpenMC aborted unexpectedly.
+******************************************
 
-A segmentation fault occurs when the program tries to access a variable in
-memory that was outside the memory allocated for the program. The best way to
-debug a segmentation fault is to re-compile OpenMC with debug options turned
-on. Create a new build directory and type the following commands:
+This error usually indicates that OpenMC experienced a segmentation fault. A
+segmentation fault occurs when the program tries to access a variable in memory
+that was outside the memory allocated for the program. The best way to debug a
+segmentation fault is to :ref:`compile OpenMC from source <install_source>` with
+debug options turned on. Create a new build directory and type the following
+commands:
 
 .. code-block:: sh
 
@@ -34,6 +36,28 @@ failed. If after reading the debug output, you are still unsure why the program
 failed, post a message on the `OpenMC Discourse Forum
 <https://openmc.discourse.group/>`_.
 
+.. _troubleshoot_lost_particles:
+
+WARNING: After particle __ crossed surface __ it could not be located in any cell and it did not leak.
+^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
+
+During a simulation, particles can become "lost" if they reach a surface and
+there is no cell defined on the other side of the surface. It is important to
+ensure that 1) proper boundary conditions have been applied to the outer
+surfaces of your model and 2) all space in your model is filled with a cell,
+even regions that are void and have no material assigned to them.
+
+Please see the instructions in :ref:`troubleshoot_geometry` on how to resolve
+issues with lost particles.
+
+ERROR: Maximum number of lost particles has been reached.
+*********************************************************
+
+See the above description regarding :ref:`lost particles
+<troubleshoot_lost_particles>`. When too many particles are lost, the simulation
+will abort altogether. Again, please see the instructions in
+:ref:`troubleshoot_geometry` on how to resolve issues with lost particles.
+
 ERROR: No cross_sections.xml file was specified in settings.xml or in the OPENMC_CROSS_SECTIONS environment variable.
 *********************************************************************************************************************
 
@@ -62,22 +86,33 @@ it is recommended that data be extracted from statepoint files in a context mana
 or that the :meth:`StatePoint.close` method is called before executing a subsequent
 OpenMC run.
 
+.. _troubleshoot_geometry:
+
 Geometry Debugging
 ******************
 
-Overlapping Cells
-^^^^^^^^^^^^^^^^^
+To identify issues in your geometry, it is highly recommended to use the `OpenMC
+Plot Explorer <https://github.com/openmc-dev/plotter/>`_ GUI application. This
+application enables you to interactively explore a model, identify regions that
+may be missing a cell definition, and identify overlapping cells.
 
-For fast run times, normal simulations do not check if the geometry is
-incorrectly defined to have overlapping cells.  This can lead to incorrect
-results that may or may not be obvious when there are errors in the geometry
-input file.  The built-in 2D and 3D plotters will check for cell overlaps at
-the center of every pixel or voxel position they process, however this might
-not be a sufficient check to ensure correctly defined geometry.  For instance,
-if an overlap is of small aspect ratio, the plotting resolution might not be
-high enough to produce any pixels in the overlapping area.
+If you are having issues with lost particles, the following procedure may be
+helpful. If OpenMC reports, for example, that a particle reaching surface 50
+could not be located, look at your geometry.xml to see which cells have a region
+definition that includes surface 50, e.g.:
 
-To reliably validate a geometry input, it is best to run the problem in
+.. code-block:: xml
+
+    <cell id="10" material="5" region="-49 50 -51 52" />
+
+This may indicate that you need to define a cell on the other side of cell 10.
+At this point, using the OpenMC Plot Explorer to locate cell 10 may provide a
+visual clue as to whether there is a missing or overlapping cell near cell 10.
+Working with the unique integer IDs of cells may be cumbersome; if you provide
+names to your cells, these names will show up in the Plot Explorer, which will
+aid geometry debugging.
+
+Another method to check for overlapping cells in a geometry is to run the problem in
 geometry debugging mode with the ``-g``, ``-geometry-debug``, or
 ``--geometry-debug`` command-line options.  This will enable checks for
 overlapping cells at every move of each simulated particle.  Depending on the
@@ -92,33 +127,6 @@ output after a geometry debug run to see how many checks were performed in each
 cell, and then adjust the number of starting particles or starting source
 distributions accordingly to achieve good coverage.
 
-ERROR: After particle __ crossed surface __ it could not be located in any cell and it did not leak.
-^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
-
-This error can arise either if a problem is specified with no boundary
-conditions or if there is an error in the geometry itself. First check to ensure
-that all of the outer surfaces of your geometry have been given vacuum or
-reflective boundary conditions. If proper boundary conditions have been applied
-and you still receive this error, it means that a surface/cell/lattice in your
-geometry has been specified incorrectly or is missing.
-
-The best way to debug this error is to turn on a trace for the particle getting
-lost. After the error message, the code will display what batch, generation, and
-particle number caused the error. In your settings.xml, add a :ref:`trace`
-followed by the batch, generation, and particle number. This will give you
-detailed output every time that particle enters a cell, crosses a boundary, or
-has a collision. For example, if you received this error at cycle 5, generation
-1, particle 4032, you would enter:
-
-.. code-block:: xml
-
-    <trace>5 1 4032</trace>
-
-For large runs it is often advantageous to run only the offending particle by
-using particle restart mode with the ``-r`` command-line option in conjunction
-with the particle restart files that are created when particles are lost with
-this error.
-
 Depletion
 *********
 

From 338abf2fab859c672089d2161707e0439afa5e1b Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 4 Mar 2022 10:34:37 -0600
Subject: [PATCH 0046/2654] Fix broken links, remove section talking about
 MATLAB

---
 docs/source/devguide/workflow.rst         |  4 ++--
 docs/source/methods/cross_sections.rst    |  9 ++++----
 docs/source/methods/neutron_physics.rst   |  7 +++---
 docs/source/methods/tallies.rst           |  2 +-
 docs/source/usersguide/cross_sections.rst |  4 ++--
 docs/source/usersguide/geometry.rst       |  8 +++----
 docs/source/usersguide/install.rst        |  5 +++--
 docs/source/usersguide/processing.rst     | 27 ++++++++---------------
 8 files changed, 29 insertions(+), 37 deletions(-)

diff --git a/docs/source/devguide/workflow.rst b/docs/source/devguide/workflow.rst
index 3bad04cae..6b5ec63cb 100644
--- a/docs/source/devguide/workflow.rst
+++ b/docs/source/devguide/workflow.rst
@@ -119,8 +119,8 @@ pip_. From the root directory of the OpenMC repository, run:
     pip install -e .[test]
 
 This installs the OpenMC Python package in `"editable" mode
-<https://pip.pypa.io/en/stable/reference/pip_install/#editable-installs>`_ so
-that 1) it can be imported from a Python interpreter and 2) any changes made are
+<https://pip.pypa.io/en/stable/cli/pip_install/#editable-installs>`_ so that 1)
+it can be imported from a Python interpreter and 2) any changes made are
 immediately reflected in the installed version (that is, you don't need to keep
 reinstalling it). While the same effect can be achieved using the
 :envvar:`PYTHONPATH` environment variable, this is generally discouraged as it
diff --git a/docs/source/methods/cross_sections.rst b/docs/source/methods/cross_sections.rst
index 2210dfa45..3396d7f25 100644
--- a/docs/source/methods/cross_sections.rst
+++ b/docs/source/methods/cross_sections.rst
@@ -187,9 +187,10 @@ are represented using a multi-group library format specific to the OpenMC code.
 The format is described in the :ref:`mgxs_lib_spec`. The data itself can be
 prepared via traditional paths or directly from a continuous-energy OpenMC
 calculation by use of the Python API as is shown in an `example notebook
-<../examples/mg-mode-part-i.ipynb>`_. This multi-group library consists of
-meta-data (such as the energy group structure) and multiple `xsdata` objects
-which contains the required microscopic or macroscopic multi-group data.
+<https://nbviewer.jupyter.org/github/openmc-dev/openmc-notebooks/blob/main/mg-mode-part-i.ipynb>`_.
+This multi-group library consists of meta-data (such as the energy group
+structure) and multiple `xsdata` objects which contains the required microscopic
+or macroscopic multi-group data.
 
 At a minimum, the library must contain the absorption cross section
 (:math:`\sigma_{a,g}`) and a scattering matrix. If the problem is an eigenvalue
@@ -275,6 +276,6 @@ or even isotropic scattering.
 .. _MCNP: https://mcnp.lanl.gov
 .. _Serpent: http://montecarlo.vtt.fi
 .. _NJOY: https://www.njoy21.io/NJOY21/
-.. _ENDF/B data: https://www.nndc.bnl.gov/endf/b8.0/
+.. _ENDF/B data: https://www.nndc.bnl.gov/endf-b8.0/
 .. _Leppanen: https://doi.org/10.1016/j.anucene.2009.03.019
 .. _algorithms: http://ab-initio.mit.edu/wiki/index.php/Faddeeva_Package
diff --git a/docs/source/methods/neutron_physics.rst b/docs/source/methods/neutron_physics.rst
index e9061eea1..2e9f313d7 100644
--- a/docs/source/methods/neutron_physics.rst
+++ b/docs/source/methods/neutron_physics.rst
@@ -359,7 +359,7 @@ secondary energy and angle sampling.
 For a reaction with secondary products, it is necessary to determine the
 outgoing angle and energy of the products. For any reaction other than elastic
 and level inelastic scattering, the outgoing energy must be determined based on
-tabulated or parameterized data. The `ENDF-6 Format <endf102>`_ specifies a
+tabulated or parameterized data. The `ENDF-6 Format` specifies a
 variety of ways that the secondary energy distribution can be represented. ENDF
 File 5 contains uncorrelated energy distribution whereas ENDF File 6 contains
 correlated energy-angle distributions. The ACE format specifies its own
@@ -1416,8 +1416,7 @@ For incoherent elastic scattering, OpenMC has two methods for calculating the
 cosine of the angle of scattering. The first method uses the Debye-Waller
 integral, :math:`W'`, and the characteristic bound cross section as given
 directly in an ENDF-6 formatted file. In this case, the cosine of the angle of
-scattering can be sampled by inverting equation 7.4 from the `ENDF-6 Format
-Manual <endf102>`_:
+scattering can be sampled by inverting equation 7.4 from the `ENDF-6 Format`_:
 
 .. math::
     :label: incoherent-elastic-mu-exact
@@ -1752,7 +1751,7 @@ types.
 
 .. _PREPRO: https://www-nds.iaea.org/ndspub/endf/prepro/
 
-.. _endf102: https://www.oecd-nea.org/dbdata/data/manual-endf/endf102.pdf
+.. _ENDF-6 Format: https://www.oecd-nea.org/dbdata/data/manual-endf/endf102.pdf
 
 .. _Monte Carlo Sampler: https://permalink.lanl.gov/object/tr?what=info:lanl-repo/lareport/LA-09721-MS
 
diff --git a/docs/source/methods/tallies.rst b/docs/source/methods/tallies.rst
index dc3a63dec..1aae47d6e 100644
--- a/docs/source/methods/tallies.rst
+++ b/docs/source/methods/tallies.rst
@@ -510,6 +510,6 @@ improve the estimate of the percentile.
 
 .. _Cauchy distribution: https://en.wikipedia.org/wiki/Cauchy_distribution
 
-.. _unpublished rational approximation: https://web.archive.org/web/20150926021742/http://home.online.no/~pjacklam/notes/invnorm/
+.. _unpublished rational approximation: https://stackedboxes.org/2017/05/01/acklams-normal-quantile-function/
 
 .. _MC21: http://www.osti.gov/bridge/servlets/purl/903083-HT5p1o/903083.pdf
diff --git a/docs/source/usersguide/cross_sections.rst b/docs/source/usersguide/cross_sections.rst
index 58bf1a293..0cbb581bd 100644
--- a/docs/source/usersguide/cross_sections.rst
+++ b/docs/source/usersguide/cross_sections.rst
@@ -124,7 +124,7 @@ OpenMC.
 .. hint:: The :class:`IncidentNeutron` class allows you to view/modify cross
           sections, secondary angle/energy distributions, probability tables,
           etc. For a more thorough overview of the capabilities of this class,
-          see the `example notebook <../examples/nuclear-data.ipynb>`__.
+          see the `example notebook <https://nbviewer.jupyter.org/github/openmc-dev/openmc-notebooks/blob/main/nuclear-data.ipynb>`_.
 
 Manually Creating a Library from ENDF files
 -------------------------------------------
@@ -259,7 +259,7 @@ For an example of how to create a multi-group library, see the `example notebook
 .. _NNDC: https://www.nndc.bnl.gov/endf
 .. _MCNP: https://mcnp.lanl.gov
 .. _Serpent: http://montecarlo.vtt.fi
-.. _ENDF/B: https://www.nndc.bnl.gov/endf/b7.1/acefiles.html
+.. _ENDF/B: https://www.nndc.bnl.gov/endf-b7.1/acefiles.html
 .. _JEFF: https://www.oecd-nea.org/dbdata/jeff/jeff33/
 .. _TENDL: https://tendl.web.psi.ch/tendl_2017/tendl2017.html
 .. _Seltzer and Berger: https://doi.org/10.1016/0092-640X(86)90014-8
diff --git a/docs/source/usersguide/geometry.rst b/docs/source/usersguide/geometry.rst
index 68ecfce95..2382609a4 100644
--- a/docs/source/usersguide/geometry.rst
+++ b/docs/source/usersguide/geometry.rst
@@ -478,10 +478,10 @@ OpenMC to verify that the model matches one's expectations.
 
 **Note:** DAGMC geometries used in OpenMC are currently required to be clean,
 meaning that all surfaces have been `imprinted and merged
-<https://svalinn.github.io/DAGMC/usersguide/trelis_workflow.html>`_
-successfully and that the model is `watertight
-<https://svalinn.github.io/DAGMC/usersguide/tools.html#make-watertight>`_. Future
-implementations of DAGMC geometry will support small volume overlaps and
+<https://svalinn.github.io/DAGMC/usersguide/cubit_basics.html>`_ successfully
+and that the model is `watertight
+<https://svalinn.github.io/DAGMC/usersguide/tools.html#make-watertight>`_.
+Future implementations of DAGMC geometry will support small volume overlaps and
 un-merged surfaces.
 
 Cell, Surface, and Material IDs
diff --git a/docs/source/usersguide/install.rst b/docs/source/usersguide/install.rst
index 7961b3e38..fb721c7ce 100644
--- a/docs/source/usersguide/install.rst
+++ b/docs/source/usersguide/install.rst
@@ -512,8 +512,9 @@ distributions.
       are used for several optional features in the API.
 
    `pandas <https://pandas.pydata.org/>`_
-      Pandas is used to generate tally DataFrames as demonstrated in
-      an `example notebook <../examples/pandas-dataframes.ipynb>`_.
+      Pandas is used to generate tally DataFrames as demonstrated in an `example
+      notebook
+      <https://nbviewer.jupyter.org/github/openmc-dev/openmc-notebooks/blob/main/pandas-dataframes.ipynb>`_.
 
    `h5py <http://www.h5py.org/>`_
       h5py provides Python bindings to the HDF5 library. Since OpenMC outputs
diff --git a/docs/source/usersguide/processing.rst b/docs/source/usersguide/processing.rst
index e61ba33bf..3103b7b7c 100644
--- a/docs/source/usersguide/processing.rst
+++ b/docs/source/usersguide/processing.rst
@@ -34,30 +34,20 @@ as requested; it is used in many of the provided plotting utilities, OpenMC's
 regression test suite, and can be used in user-created scripts to carry out
 manipulations of the data.
 
-An `example notebook <../examples/post-processing.ipynb>`_ demonstrates how to
-extract data from a statepoint using the Python API.
+An `example notebook`_ demonstrates how to extract data from a statepoint using
+the Python API.
 
 Plotting in 2D
 --------------
 
-The `notebook example <../examples/post-processing.ipynb>`_ also demonstrates
-how to plot a structured mesh tally in two dimensions using the Python API. One
-can also use the :ref:`scripts_plot` script which provides an interactive GUI to
-explore and plot structured mesh tallies for any scores and filter bins.
+The `example notebook`_ also demonstrates how to plot a structured mesh tally in
+two dimensions using the Python API. One can also use the :ref:`scripts_plot`
+script which provides an interactive GUI to explore and plot structured mesh
+tallies for any scores and filter bins.
 
 .. image:: ../_images/plotmeshtally.png
    :width: 400px
 
-Getting Data into MATLAB
-------------------------
-
-There is currently no front-end utility to dump tally data to MATLAB files, but
-the process is straightforward. First extract the data using the Python API via
-``openmc.statepoint`` and then use the `Scipy MATLAB IO routines
-<https://docs.scipy.org/doc/scipy/reference/tutorial/io.html>`_ to save to a MAT
-file. Note that all arrays that are accessible in a statepoint are already in
-NumPy arrays that can be reshaped and dumped to MATLAB in one step.
-
 .. _usersguide_track:
 
 ----------------------------
@@ -101,5 +91,6 @@ For eigenvalue problems, OpenMC will store information on the fission source
 sites in the statepoint file by default. For each source site, the weight,
 position, sampled direction, and sampled energy are stored. To extract this data
 from a statepoint file, the ``openmc.statepoint`` module can be used. An
-`example notebook <../examples/post-processing.ipynb>`_ demontrates how to
-analyze and plot source information.
+`example notebook`_ demontrates how to analyze and plot source information.
+
+.. _example notebook: https://nbviewer.jupyter.org/github/openmc-dev/openmc-notebooks/blob/main/post-processing.ipynb

From fc9e71ede09b20c8b1896f26f12bc07c9903be3f Mon Sep 17 00:00:00 2001
From: Bob <burberger@gmail.com>
Date: Fri, 4 Mar 2022 15:00:28 -0800
Subject: [PATCH 0047/2654] Fix warnings in MANIFEST.in file caused by looking
 for non-existent files in examples and src

---
 MANIFEST.in | 7 -------
 1 file changed, 7 deletions(-)

diff --git a/MANIFEST.in b/MANIFEST.in
index b9f5f21cd..c2789a152 100644
--- a/MANIFEST.in
+++ b/MANIFEST.in
@@ -8,7 +8,6 @@ include schemas.xml
 include pyproject.toml
 include pytest.ini
 include docs/source/_templates/layout.html
-include docs/sphinxext/LICENSE
 global-include *.cmake
 global-include *.cmake.in
 global-include *.rst
@@ -20,8 +19,6 @@ recursive-include docs *.svg
 recursive-include docs *.tex
 recursive-include docs *.txt
 recursive-include docs Makefile
-recursive-include examples *.h5
-recursive-include examples *.png
 recursive-include examples *.cpp
 recursive-include examples *.py
 recursive-include examples *.xml
@@ -29,11 +26,7 @@ recursive-include include *.h
 recursive-include man *.1
 recursive-include openmc *.pyx
 recursive-include openmc *.c
-recursive-include src *.c
-recursive-include src *.cc
 recursive-include src *.cpp
-recursive-include src *.h
-recursive-include src *.hpp
 recursive-include src *.rnc
 recursive-include src *.rng
 recursive-include tests *.dat

From aac4903e74a6087157b08d09b68f5dc475ef8d6d Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Mon, 7 Mar 2022 14:10:21 -0600
Subject: [PATCH 0048/2654] Fix link in neutron_physics.rst

Co-authored-by: Patrick Shriwise <pshriwise@gmail.com>
---
 docs/source/methods/neutron_physics.rst | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/docs/source/methods/neutron_physics.rst b/docs/source/methods/neutron_physics.rst
index 2e9f313d7..bea92f992 100644
--- a/docs/source/methods/neutron_physics.rst
+++ b/docs/source/methods/neutron_physics.rst
@@ -359,7 +359,7 @@ secondary energy and angle sampling.
 For a reaction with secondary products, it is necessary to determine the
 outgoing angle and energy of the products. For any reaction other than elastic
 and level inelastic scattering, the outgoing energy must be determined based on
-tabulated or parameterized data. The `ENDF-6 Format` specifies a
+tabulated or parameterized data. The `ENDF-6 Format`_ specifies a
 variety of ways that the secondary energy distribution can be represented. ENDF
 File 5 contains uncorrelated energy distribution whereas ENDF File 6 contains
 correlated energy-angle distributions. The ACE format specifies its own

From 4ba635f472ee2b7dcab1935c702908440fa2ad64 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <drshimwell@gmail.com>
Date: Mon, 7 Mar 2022 20:15:03 +0000
Subject: [PATCH 0049/2654] Suggestions from PR review by @Paulromano

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 tests/unit_tests/test_deplete_integrator.py  |  8 ++------
 tests/unit_tests/test_deplete_restart.py     |  7 ++-----
 tests/unit_tests/test_deplete_resultslist.py | 12 +++++-------
 3 files changed, 9 insertions(+), 18 deletions(-)

diff --git a/tests/unit_tests/test_deplete_integrator.py b/tests/unit_tests/test_deplete_integrator.py
index c22f075aa..a08d8738c 100644
--- a/tests/unit_tests/test_deplete_integrator.py
+++ b/tests/unit_tests/test_deplete_integrator.py
@@ -14,7 +14,6 @@ import numpy as np
 from uncertainties import ufloat
 import pytest
 
-from openmc import Material
 from openmc.mpi import comm
 from openmc.deplete import (
     ReactionRates, Results, ResultsList, OperatorResult, PredictorIntegrator,
@@ -180,11 +179,8 @@ def test_integrator(run_in_tmpdir, scheme):
     res = ResultsList.from_hdf5(
         operator.output_dir / "depletion_results.h5")
 
-    mat = Material()
-    mat.id = 1
-
-    t1, y1 = res.get_atoms(mat, "1")
-    t2, y2 = res.get_atoms(mat, "2")
+    t1, y1 = res.get_atoms("1", "1")
+    t2, y2 = res.get_atoms("1", "2")
 
     assert (t1 == [0.0, 0.75, 1.5]).all()
     assert y1 == pytest.approx(bundle.atoms_1)
diff --git a/tests/unit_tests/test_deplete_restart.py b/tests/unit_tests/test_deplete_restart.py
index f396a8b8f..82ef05ac7 100644
--- a/tests/unit_tests/test_deplete_restart.py
+++ b/tests/unit_tests/test_deplete_restart.py
@@ -87,11 +87,8 @@ def test_restart(run_in_tmpdir, scheme):
     results = openmc.deplete.ResultsList.from_hdf5(
         operator.output_dir / "depletion_results.h5")
 
-    mat = openmc.Material()
-    mat.id = 1
-
-    _t, y1 = results.get_atoms(mat, "1")
-    _t, y2 = results.get_atoms(mat, "2")
+    _t, y1 = results.get_atoms("1", "1")
+    _t, y2 = results.get_atoms("1", "2")
 
     assert y1 == pytest.approx(bundle.atoms_1)
     assert y2 == pytest.approx(bundle.atoms_2)
diff --git a/tests/unit_tests/test_deplete_resultslist.py b/tests/unit_tests/test_deplete_resultslist.py
index 96bbcab77..bcce45769 100644
--- a/tests/unit_tests/test_deplete_resultslist.py
+++ b/tests/unit_tests/test_deplete_resultslist.py
@@ -21,7 +21,7 @@ def test_get_atoms(res):
     mat = openmc.Material()
     mat.id = 1
 
-    t, n = res.get_atoms(mat, "Xe135")
+    t, n = res.get_atoms("1", "Xe135")
 
     t_ref = np.array([0.0, 1296000.0, 2592000.0, 3888000.0])
     n_ref = np.array(
@@ -33,24 +33,22 @@ def test_get_atoms(res):
     # Check alternate units
     volume = res[0].volume["1"]
 
-    t_days, n_cm3 = res.get_atoms(mat, "Xe135", nuc_units="atom/cm3", time_units="d")
+    t_days, n_cm3 = res.get_atoms("1", "Xe135", nuc_units="atom/cm3", time_units="d")
 
     assert t_days == pytest.approx(t_ref / (60 * 60 * 24))
     assert n_cm3 == pytest.approx(n_ref / volume)
 
-    t_min, n_bcm = res.get_atoms(mat, "Xe135", nuc_units="atom/b-cm", time_units="min")
+    t_min, n_bcm = res.get_atoms("1", "Xe135", nuc_units="atom/b-cm", time_units="min")
     assert n_bcm == pytest.approx(n_cm3 * 1e-24)
     assert t_min == pytest.approx(t_ref / 60)
 
-    t_hour, _n = res.get_atoms(mat, "Xe135", time_units="h")
+    t_hour, _n = res.get_atoms("1", "Xe135", time_units="h")
     assert t_hour == pytest.approx(t_ref / (60 * 60))
 
 
 def test_get_reaction_rate(res):
     """Tests evaluating reaction rate."""
-    mat = openmc.Material()
-    mat.id = 1
-    t, r = res.get_reaction_rate(mat, "Xe135", "(n,gamma)")
+    t, r = res.get_reaction_rate("1", "Xe135", "(n,gamma)")
 
     t_ref = [0.0, 1296000.0, 2592000.0, 3888000.0]
     n_ref = [6.67473282e+08, 3.72442707e+14, 3.61129692e+14, 4.01920099e+14]

From aa5e8ec418f6421790f70c65f3ad5cdf6829a81b Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <drshimwell@gmail.com>
Date: Mon, 7 Mar 2022 20:28:24 +0000
Subject: [PATCH 0050/2654] Suggestions from PR review by @Paulromano

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 tests/unit_tests/test_deplete_resultslist.py | 3 ---
 1 file changed, 3 deletions(-)

diff --git a/tests/unit_tests/test_deplete_resultslist.py b/tests/unit_tests/test_deplete_resultslist.py
index bcce45769..5d8fb11e4 100644
--- a/tests/unit_tests/test_deplete_resultslist.py
+++ b/tests/unit_tests/test_deplete_resultslist.py
@@ -18,9 +18,6 @@ def res():
 
 def test_get_atoms(res):
     """Tests evaluating single nuclide concentration."""
-    mat = openmc.Material()
-    mat.id = 1
-
     t, n = res.get_atoms("1", "Xe135")
 
     t_ref = np.array([0.0, 1296000.0, 2592000.0, 3888000.0])

From 6eb00c6c6f158c7dbf300108d0a5fcee66591b05 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Tue, 8 Mar 2022 13:04:42 +0000
Subject: [PATCH 0051/2654] added typehints to match docstrings

---
 openmc/settings.py | 96 +++++++++++++++++++++++-----------------------
 1 file changed, 49 insertions(+), 47 deletions(-)

diff --git a/openmc/settings.py b/openmc/settings.py
index 9aef9a1fe..e09d13ed9 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -2,6 +2,8 @@ from collections.abc import Iterable, MutableSequence, Mapping
 from enum import Enum
 from pathlib import Path
 from numbers import Real, Integral
+import typing as typing  # imported separately as py3.8 requires typing.Iterable 
+from typing import Optional, Union
 from xml.etree import ElementTree as ET
 from math import ceil
 
@@ -472,51 +474,51 @@ class Settings:
         return self._max_splits
 
     @run_mode.setter
-    def run_mode(self, run_mode):
+    def run_mode(self, run_mode: RunMode):
         cv.check_value('run mode', run_mode, {x.value for x in RunMode})
         for mode in RunMode:
             if mode.value == run_mode:
                 self._run_mode = mode
 
     @batches.setter
-    def batches(self, batches):
+    def batches(self, batches: int):
         cv.check_type('batches', batches, Integral)
         cv.check_greater_than('batches', batches, 0)
         self._batches = batches
 
     @generations_per_batch.setter
-    def generations_per_batch(self, generations_per_batch):
+    def generations_per_batch(self, generations_per_batch: int):
         cv.check_type('generations per patch', generations_per_batch, Integral)
         cv.check_greater_than('generations per batch', generations_per_batch, 0)
         self._generations_per_batch = generations_per_batch
 
     @inactive.setter
-    def inactive(self, inactive):
+    def inactive(self, inactive: int):
         cv.check_type('inactive batches', inactive, Integral)
         cv.check_greater_than('inactive batches', inactive, 0, True)
         self._inactive = inactive
 
     @max_lost_particles.setter
-    def max_lost_particles(self, max_lost_particles):
+    def max_lost_particles(self, max_lost_particles: int):
         cv.check_type('max_lost_particles', max_lost_particles, Integral)
         cv.check_greater_than('max_lost_particles', max_lost_particles, 0)
         self._max_lost_particles = max_lost_particles
 
     @rel_max_lost_particles.setter
-    def rel_max_lost_particles(self, rel_max_lost_particles):
+    def rel_max_lost_particles(self, rel_max_lost_particles: int):
         cv.check_type('rel_max_lost_particles', rel_max_lost_particles, Real)
         cv.check_greater_than('rel_max_lost_particles', rel_max_lost_particles, 0)
         cv.check_less_than('rel_max_lost_particles', rel_max_lost_particles, 1)
         self._rel_max_lost_particles = rel_max_lost_particles
 
     @particles.setter
-    def particles(self, particles):
+    def particles(self, particles: int):
         cv.check_type('particles', particles, Integral)
         cv.check_greater_than('particles', particles, 0)
         self._particles = particles
 
     @keff_trigger.setter
-    def keff_trigger(self, keff_trigger):
+    def keff_trigger(self, keff_trigger: dict):
         if not isinstance(keff_trigger, dict):
             msg = f'Unable to set a trigger on keff from "{keff_trigger}" ' \
                   'which is not a Python dictionary'
@@ -545,13 +547,13 @@ class Settings:
         self._keff_trigger = keff_trigger
 
     @energy_mode.setter
-    def energy_mode(self, energy_mode):
+    def energy_mode(self, energy_mode: str):
         cv.check_value('energy mode', energy_mode,
                     ['continuous-energy', 'multi-group'])
         self._energy_mode = energy_mode
 
     @max_order.setter
-    def max_order(self, max_order):
+    def max_order(self, max_order: Optional[int]):
         if max_order is not None:
             cv.check_type('maximum scattering order', max_order, Integral)
             cv.check_greater_than('maximum scattering order', max_order, 0,
@@ -559,13 +561,13 @@ class Settings:
         self._max_order = max_order
 
     @source.setter
-    def source(self, source):
+    def source(self, source: typing.Iterable[Source]):
         if not isinstance(source, MutableSequence):
             source = [source]
         self._source = cv.CheckedList(Source, 'source distributions', source)
 
     @output.setter
-    def output(self, output):
+    def output(self, output: dict):
         cv.check_type('output', output, Mapping)
         for key, value in output.items():
             cv.check_value('output key', key, ('summary', 'tallies', 'path'))
@@ -576,14 +578,14 @@ class Settings:
         self._output = output
 
     @verbosity.setter
-    def verbosity(self, verbosity):
+    def verbosity(self, verbosity: int):
         cv.check_type('verbosity', verbosity, Integral)
         cv.check_greater_than('verbosity', verbosity, 1, True)
         cv.check_less_than('verbosity', verbosity, 10, True)
         self._verbosity = verbosity
 
     @sourcepoint.setter
-    def sourcepoint(self, sourcepoint):
+    def sourcepoint(self, sourcepoint: dict):
         cv.check_type('sourcepoint options', sourcepoint, Mapping)
         for key, value in sourcepoint.items():
             if key == 'batches':
@@ -602,7 +604,7 @@ class Settings:
         self._sourcepoint = sourcepoint
 
     @statepoint.setter
-    def statepoint(self, statepoint):
+    def statepoint(self, statepoint: dict):
         cv.check_type('statepoint options', statepoint, Mapping)
         for key, value in statepoint.items():
             if key == 'batches':
@@ -615,7 +617,7 @@ class Settings:
         self._statepoint = statepoint
 
     @surf_source_read.setter
-    def surf_source_read(self, surf_source_read):
+    def surf_source_read(self, surf_source_read: dict):
         cv.check_type('surface source reading options', surf_source_read, Mapping)
         for key, value in surf_source_read.items():
             cv.check_value('surface source reading key', key,
@@ -625,7 +627,7 @@ class Settings:
         self._surf_source_read = surf_source_read
 
     @surf_source_write.setter
-    def surf_source_write(self, surf_source_write):
+    def surf_source_write(self, surf_source_write: dict):
         cv.check_type('surface source writing options', surf_source_write, Mapping)
         for key, value in surf_source_write.items():
             cv.check_value('surface source writing key', key,
@@ -644,38 +646,38 @@ class Settings:
         self._surf_source_write = surf_source_write
 
     @confidence_intervals.setter
-    def confidence_intervals(self, confidence_intervals):
+    def confidence_intervals(self, confidence_intervals: bool):
         cv.check_type('confidence interval', confidence_intervals, bool)
         self._confidence_intervals = confidence_intervals
 
     @electron_treatment.setter
-    def electron_treatment(self, electron_treatment):
+    def electron_treatment(self, electron_treatment: str):
         cv.check_value('electron treatment', electron_treatment, ['led', 'ttb'])
         self._electron_treatment = electron_treatment
 
     @photon_transport.setter
-    def photon_transport(self, photon_transport):
+    def photon_transport(self, photon_transport: bool):
         cv.check_type('photon transport', photon_transport, bool)
         self._photon_transport = photon_transport
 
     @ptables.setter
-    def ptables(self, ptables):
+    def ptables(self, ptables: bool):
         cv.check_type('probability tables', ptables, bool)
         self._ptables = ptables
 
     @seed.setter
-    def seed(self, seed):
+    def seed(self, seed: int):
         cv.check_type('random number generator seed', seed, Integral)
         cv.check_greater_than('random number generator seed', seed, 0)
         self._seed = seed
 
     @survival_biasing.setter
-    def survival_biasing(self, survival_biasing):
+    def survival_biasing(self, survival_biasing: bool):
         cv.check_type('survival biasing', survival_biasing, bool)
         self._survival_biasing = survival_biasing
 
     @cutoff.setter
-    def cutoff(self, cutoff):
+    def cutoff(self, cutoff: dict):
         if not isinstance(cutoff, Mapping):
             msg = f'Unable to set cutoff from "{cutoff}" which is not a '\
                   'Python dictionary'
@@ -699,34 +701,34 @@ class Settings:
         self._cutoff = cutoff
 
     @entropy_mesh.setter
-    def entropy_mesh(self, entropy):
+    def entropy_mesh(self, entropy: RegularMesh):
         cv.check_type('entropy mesh', entropy, RegularMesh)
         self._entropy_mesh = entropy
 
     @trigger_active.setter
-    def trigger_active(self, trigger_active):
+    def trigger_active(self, trigger_active: bool):
         cv.check_type('trigger active', trigger_active, bool)
         self._trigger_active = trigger_active
 
     @trigger_max_batches.setter
-    def trigger_max_batches(self, trigger_max_batches):
+    def trigger_max_batches(self, trigger_max_batches: int):
         cv.check_type('trigger maximum batches', trigger_max_batches, Integral)
         cv.check_greater_than('trigger maximum batches', trigger_max_batches, 0)
         self._trigger_max_batches = trigger_max_batches
 
     @trigger_batch_interval.setter
-    def trigger_batch_interval(self, trigger_batch_interval):
+    def trigger_batch_interval(self, trigger_batch_interval: int):
         cv.check_type('trigger batch interval', trigger_batch_interval, Integral)
         cv.check_greater_than('trigger batch interval', trigger_batch_interval, 0)
         self._trigger_batch_interval = trigger_batch_interval
 
     @no_reduce.setter
-    def no_reduce(self, no_reduce):
+    def no_reduce(self, no_reduce: bool):
         cv.check_type('no reduction option', no_reduce, bool)
         self._no_reduce = no_reduce
 
     @tabular_legendre.setter
-    def tabular_legendre(self, tabular_legendre):
+    def tabular_legendre(self, tabular_legendre: dict):
         cv.check_type('tabular_legendre settings', tabular_legendre, Mapping)
         for key, value in tabular_legendre.items():
             cv.check_value('tabular_legendre key', key,
@@ -739,7 +741,7 @@ class Settings:
         self._tabular_legendre = tabular_legendre
 
     @temperature.setter
-    def temperature(self, temperature):
+    def temperature(self, temperature: dict):
 
         cv.check_type('temperature settings', temperature, Mapping)
         for key, value in temperature.items():
@@ -763,7 +765,7 @@ class Settings:
         self._temperature = temperature
 
     @trace.setter
-    def trace(self, trace):
+    def trace(self, trace: Iterable):
         cv.check_type('trace', trace, Iterable, Integral)
         cv.check_length('trace', trace, 3)
         cv.check_greater_than('trace batch', trace[0], 0)
@@ -772,7 +774,7 @@ class Settings:
         self._trace = trace
 
     @track.setter
-    def track(self, track):
+    def track(self, track: Iterable):
         cv.check_type('track', track, Iterable, Integral)
         if len(track) % 3 != 0:
             msg = f'Unable to set the track to "{track}" since its length is ' \
@@ -785,7 +787,7 @@ class Settings:
         self._track = track
 
     @ufs_mesh.setter
-    def ufs_mesh(self, ufs_mesh):
+    def ufs_mesh(self, ufs_mesh: RegularMesh):
         cv.check_type('UFS mesh', ufs_mesh, RegularMesh)
         cv.check_length('UFS mesh dimension', ufs_mesh.dimension, 3)
         cv.check_length('UFS mesh lower-left corner', ufs_mesh.lower_left, 3)
@@ -793,7 +795,7 @@ class Settings:
         self._ufs_mesh = ufs_mesh
 
     @resonance_scattering.setter
-    def resonance_scattering(self, res):
+    def resonance_scattering(self, res: dict):
         cv.check_type('resonance scattering settings', res, Mapping)
         keys = ('enable', 'method', 'energy_min', 'energy_max', 'nuclides')
         for key, value in res.items():
@@ -817,52 +819,52 @@ class Settings:
         self._resonance_scattering = res
 
     @volume_calculations.setter
-    def volume_calculations(self, vol_calcs):
+    def volume_calculations(self, vol_calcs: Union[VolumeCalculation, typing.Iterable[VolumeCalculation]]):
         if not isinstance(vol_calcs, MutableSequence):
             vol_calcs = [vol_calcs]
         self._volume_calculations = cv.CheckedList(
             VolumeCalculation, 'stochastic volume calculations', vol_calcs)
 
     @create_fission_neutrons.setter
-    def create_fission_neutrons(self, create_fission_neutrons):
+    def create_fission_neutrons(self, create_fission_neutrons: bool):
         cv.check_type('Whether create fission neutrons',
                       create_fission_neutrons, bool)
         self._create_fission_neutrons = create_fission_neutrons
 
     @delayed_photon_scaling.setter
-    def delayed_photon_scaling(self, value):
+    def delayed_photon_scaling(self, value: bool):
         cv.check_type('delayed photon scaling', value, bool)
         self._delayed_photon_scaling = value
 
     @event_based.setter
-    def event_based(self, value):
+    def event_based(self, value: bool):
         cv.check_type('event based', value, bool)
         self._event_based = value
 
     @max_particles_in_flight.setter
-    def max_particles_in_flight(self, value):
+    def max_particles_in_flight(self, value: int):
         cv.check_type('max particles in flight', value, Integral)
         cv.check_greater_than('max particles in flight', value, 0)
         self._max_particles_in_flight = value
 
     @material_cell_offsets.setter
-    def material_cell_offsets(self, value):
+    def material_cell_offsets(self, value: bool):
         cv.check_type('material cell offsets', value, bool)
         self._material_cell_offsets = value
 
     @log_grid_bins.setter
-    def log_grid_bins(self, log_grid_bins):
+    def log_grid_bins(self, log_grid_bins: int):
         cv.check_type('log grid bins', log_grid_bins, Real)
         cv.check_greater_than('log grid bins', log_grid_bins, 0)
         self._log_grid_bins = log_grid_bins
 
     @write_initial_source.setter
-    def write_initial_source(self, value):
+    def write_initial_source(self, value: bool):
         cv.check_type('write initial source', value, bool)
         self._write_initial_source = value
 
     @weight_windows.setter
-    def weight_windows(self, value):
+    def weight_windows(self, value: Union[WeightWindows, typing.Iterable[WeightWindows]]):
         if not isinstance(value, MutableSequence):
             value = [value]
         self._weight_windows = cv.CheckedList(WeightWindows, 'weight windows', value)
@@ -873,7 +875,7 @@ class Settings:
         self._weight_windows_on = value
 
     @max_splits.setter
-    def max_splits(self, value):
+    def max_splits(self, value: int):
         cv.check_type('maximum particle splits', value, Integral)
         cv.check_greater_than('max particles in flight', value, 0)
         self._max_splits = value
@@ -1492,7 +1494,7 @@ class Settings:
         if text is not None:
             self.max_splits = int(text)
 
-    def export_to_xml(self, path='settings.xml'):
+    def export_to_xml(self, path: str = 'settings.xml'):
         """Export simulation settings to an XML file.
 
         Parameters
@@ -1563,7 +1565,7 @@ class Settings:
         tree.write(str(p), xml_declaration=True, encoding='utf-8')
 
     @classmethod
-    def from_xml(cls, path='settings.xml'):
+    def from_xml(cls, path: str = 'settings.xml'):
         """Generate settings from XML file
 
         .. versionadded:: 0.13.0

From 1fc44e4f9d871f77a28e40fa8f74be42c1024bac Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 8 Mar 2022 16:34:04 -0600
Subject: [PATCH 0052/2654] Clarify error message for meshes with same ID in
 same file

Co-authored-by: Patrick Shriwise <pshriwise@gmail.com>
---
 src/mesh.cpp | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/src/mesh.cpp b/src/mesh.cpp
index 78e2e8952..de29233fb 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -2568,7 +2568,7 @@ void read_meshes(pugi::xml_node root)
     int id = std::stoi(get_node_value(node, "id"));
     if (contains(mesh_ids, id)) {
       fatal_error(
-        "Two or more meshes use the same unique ID: " + std::to_string(id));
+        fmt::format("Two or more meshes use the same unique ID '{}' in the same input file", id));
     }
     mesh_ids.insert(id);
 

From 8e5dad821072fbb9e35b8ef0a60c51e772981b93 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Wed, 9 Mar 2022 09:45:14 -0600
Subject: [PATCH 0053/2654] fix overwritten variable in
 ace.py::get_libraries_from_xsdata

---
 openmc/data/ace.py | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/openmc/data/ace.py b/openmc/data/ace.py
index 97be6f627..06c581b42 100644
--- a/openmc/data/ace.py
+++ b/openmc/data/ace.py
@@ -573,11 +573,11 @@ def get_libraries_from_xsdata(path):
         List of paths to ACE libraries
     """
     xsdata = Path(path)
-    with open(xsdata, 'r') as xsdata:
+    with open(xsdata, 'r') as xsdata_file:
         # As in get_libraries_from_xsdir, we use a dict for O(1) membership
         # check while retaining insertion order
         libraries = OrderedDict()
-        for line in xsdata:
+        for line in xsdata_file:
             words = line.split()
             if len(words) >= 9:
                 lib = (xsdata.parent / words[8]).resolve()

From 6cbd1ed288411f5ded5ce918cfbb24f4d0932a09 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 9 Mar 2022 17:08:05 -0600
Subject: [PATCH 0054/2654] Add cell instance test with duplicated lattice

---
 tests/unit_tests/test_cell_instance.py | 73 ++++++++++++++++++++++++++
 1 file changed, 73 insertions(+)
 create mode 100644 tests/unit_tests/test_cell_instance.py

diff --git a/tests/unit_tests/test_cell_instance.py b/tests/unit_tests/test_cell_instance.py
new file mode 100644
index 000000000..00424f9c5
--- /dev/null
+++ b/tests/unit_tests/test_cell_instance.py
@@ -0,0 +1,73 @@
+import numpy as np
+import pytest
+
+import openmc
+import openmc.lib
+
+from tests import cdtemp
+
+
+@pytest.fixture(scope='module', autouse=True)
+def double_lattice_model():
+    model = openmc.Model()
+
+    # Create a single material
+    m = openmc.Material()
+    m.add_nuclide('U235', 1.0)
+    m.set_density('g/cm3', 10.0)
+    model.materials.append(m)
+
+    # Create a universe with a single infinite cell
+    c = openmc.Cell(fill=m)
+    u = openmc.Universe(cells=[c])
+
+    # Create a 2x2 lattice filled with above universe
+    lattice = openmc.RectLattice()
+    lattice.lower_left = (0.0, 0.0)
+    lattice.pitch = (1.0, 1.0)
+    lattice.universes = np.full((2, 2), u)
+
+    # Create two cells each filled with the same lattice, one from x=0..2 and
+    # y=0..2 and the other from x=2..4 and y=0..2
+    x0 = openmc.XPlane(0.0, boundary_type='vacuum')
+    x2 = openmc.XPlane(2.0)
+    x4 = openmc.XPlane(4.0, boundary_type='vacuum')
+    y0 = openmc.YPlane(0.0, boundary_type='vacuum')
+    y2 = openmc.YPlane(2.0, boundary_type='vacuum')
+    cell_with_lattice1 = openmc.Cell(fill=lattice, region=+x0 & -x2 & +y0 & -y2)
+    cell_with_lattice2 = openmc.Cell(fill=lattice, region=+x2 & -x4 & +y0 & -y2)
+    cell_with_lattice2.translation = (2., 0., 0.)
+    model.geometry = openmc.Geometry([cell_with_lattice1, cell_with_lattice2])
+
+    # Add necessary settings and export
+    model.settings.batches = 10
+    model.settings.inactive = 0
+    model.settings.particles = 100
+
+    with cdtemp():
+        model.export_to_xml()
+        openmc.lib.init()
+        yield
+        openmc.lib.finalize()
+
+
+# This shows the expected cell instance numbers for each lattice position:
+#      ┌─┬─┬─┬─┐
+#      │2│3│6│7│
+#      ├─┼─┼─┼─┤
+#      │0│1│4│5│
+#      └─┴─┴─┴─┘
+expected_results = [
+    ((0.5, 0.5, 0.0), 0),
+    ((1.5, 0.5, 0.0), 1),
+    ((0.5, 1.5, 0.0), 2),
+    ((1.5, 1.5, 0.0), 3),
+    ((2.5, 0.5, 0.0), 4),
+    ((3.5, 0.5, 0.0), 5),
+    ((2.5, 1.5, 0.0), 6),
+    ((3.5, 1.5, 0.0), 7),
+]
+@pytest.mark.parametrize("r,expected_cell_instance", expected_results)
+def test_cell_instance_multilattice(r, expected_cell_instance):
+    _, cell_instance = openmc.lib.find_cell(r)
+    assert cell_instance == expected_cell_instance

From 34a35d832a1cfe1fec304eace56676265d5b6f3d Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Mon, 7 Mar 2022 22:02:24 -0600
Subject: [PATCH 0055/2654] Fix cell instance counting bug with same lattice in
 multiple cells

---
 src/geometry.cpp     |  1 +
 src/geometry_aux.cpp |  3 ++-
 src/lattice.cpp      | 12 ++++++++++++
 3 files changed, 15 insertions(+), 1 deletion(-)

diff --git a/src/geometry.cpp b/src/geometry.cpp
index acce3fc78..216650ff1 100644
--- a/src/geometry.cpp
+++ b/src/geometry.cpp
@@ -86,6 +86,7 @@ int cell_instance_at_level(const Particle& p, int level)
     if (c_i.type_ == Fill::UNIVERSE) {
       instance += c_i.offset_[c.distribcell_index_];
     } else if (c_i.type_ == Fill::LATTICE) {
+      instance += c_i.offset_[c.distribcell_index_];
       auto& lat {*model::lattices[p.coord(i + 1).lattice]};
       const auto& i_xyz {p.coord(i + 1).lattice_i};
       if (lat.are_valid_indices(i_xyz)) {
diff --git a/src/geometry_aux.cpp b/src/geometry_aux.cpp
index 842822d05..ddce2469b 100644
--- a/src/geometry_aux.cpp
+++ b/src/geometry_aux.cpp
@@ -412,8 +412,9 @@ void prepare_distribcell(const std::vector<int32_t>* user_distribcells)
             search_univ, target_univ_id, univ_count_memo);
 
         } else if (c.type_ == Fill::LATTICE) {
+          c.offset_[map] = offset;
           Lattice& lat = *model::lattices[c.fill_];
-          offset =
+          offset +=
             lat.fill_offset_table(offset, target_univ_id, map, univ_count_memo);
         }
       }
diff --git a/src/lattice.cpp b/src/lattice.cpp
index 3875b2fa7..fa2e2828e 100644
--- a/src/lattice.cpp
+++ b/src/lattice.cpp
@@ -101,6 +101,18 @@ void Lattice::adjust_indices()
 int32_t Lattice::fill_offset_table(int32_t offset, int32_t target_univ_id,
   int map, std::unordered_map<int32_t, int32_t>& univ_count_memo)
 {
+  // If the offsets have already been determined for this "map", don't bother
+  // recalculating all of them and just return the total offset. Note that the
+  // offsets_ array doesn't actually include the offset accounting for the last
+  // universe, so we get the before-last offset for the given map and then
+  // explicitly add the count for the last universe.
+  if (offsets_[map * universes_.size()] != C_NONE) {
+    int last_offset = offsets_[(map + 1) * universes_.size() - 1];
+    int last_univ = universes_.back();
+    return last_offset +
+           count_universe_instances(last_univ, target_univ_id, univ_count_memo);
+  }
+
   for (LatticeIter it = begin(); it != end(); ++it) {
     offsets_[map * universes_.size() + it.indx_] = offset;
     offset += count_universe_instances(*it, target_univ_id, univ_count_memo);

From f85dc9dc9b52f38d151e82cd5bdcb9475a66c250 Mon Sep 17 00:00:00 2001
From: Ethan Peterson <ethan.peterson@mit.edu>
Date: Thu, 10 Mar 2022 13:35:41 -0500
Subject: [PATCH 0056/2654] adding helper method for EnergyFilter creation

---
 openmc/filter.py | 14 ++++++++++++++
 1 file changed, 14 insertions(+)

diff --git a/openmc/filter.py b/openmc/filter.py
index df06d713f..be3d97679 100644
--- a/openmc/filter.py
+++ b/openmc/filter.py
@@ -1324,6 +1324,20 @@ class EnergyFilter(RealFilter):
             cv.check_greater_than('filter value', v0, 0., equality=True)
             cv.check_greater_than('filter value', v1, 0., equality=True)
 
+    @classmethod
+    def from_group_structure(cls, group_structure):
+        """Construct an EnergyFilter instance from a standard group structure.
+
+        Parameters
+        ----------
+        group_structure : str
+            Name of the group structure. Must be a valid key of
+            openmc.mgxs.GROUP_STRUCTURES dictionary.
+
+        """
+
+        return cls(openmc.mgxs.GROUP_STRUCTURES[group_structure.upper()])
+
 
 class EnergyoutFilter(EnergyFilter):
     """Bins tally events based on outgoing particle energy.

From da53fd6e6e19edd86d090559d8714d0b3227d1c6 Mon Sep 17 00:00:00 2001
From: Ethan Peterson <ethan.peterson@mit.edu>
Date: Thu, 10 Mar 2022 15:37:18 -0500
Subject: [PATCH 0057/2654] added unit test

---
 tests/unit_tests/test_filters.py | 6 ++++++
 1 file changed, 6 insertions(+)

diff --git a/tests/unit_tests/test_filters.py b/tests/unit_tests/test_filters.py
index 49526ac67..6b344b827 100644
--- a/tests/unit_tests/test_filters.py
+++ b/tests/unit_tests/test_filters.py
@@ -240,3 +240,9 @@ def test_first_moment(run_in_tmpdir, box_model):
         assert first_score(sph_scat_tally) == scatter
         assert first_score(sph_flux_tally) == approx(flux)
         assert first_score(zernike_tally) == approx(scatter)
+
+
+def test_energy():
+    f = openmc.EnergyFilter.from_group_structure('CCFE-709')
+    assert f.bins.shape == (709, 2)
+    assert len(f.values) == 710

From 698a15d7f94b04563f9207e1e3f06957ca19db79 Mon Sep 17 00:00:00 2001
From: shimwell <mail@jshimwell.com>
Date: Thu, 10 Mar 2022 21:00:53 +0000
Subject: [PATCH 0058/2654] writing files to output folder

---
 src/output.cpp  | 5 ++++-
 src/summary.cpp | 5 ++++-
 2 files changed, 8 insertions(+), 2 deletions(-)

diff --git a/src/output.cpp b/src/output.cpp
index 401ad8338..132f153bf 100644
--- a/src/output.cpp
+++ b/src/output.cpp
@@ -576,9 +576,12 @@ void write_tallies()
   if (model::tallies.empty())
     return;
 
+  // Set filename for tallies_out
+  filename = fmt::format("{}tallies.out", settings::path_output, w);
+
   // Open the tallies.out file.
   std::ofstream tallies_out;
-  tallies_out.open("tallies.out", std::ios::out | std::ios::trunc);
+  tallies_out.open(filename, std::ios::out | std::ios::trunc);
 
   // Loop over each tally.
   for (auto i_tally = 0; i_tally < model::tallies.size(); ++i_tally) {
diff --git a/src/summary.cpp b/src/summary.cpp
index fc81ac7bb..213ce9437 100644
--- a/src/summary.cpp
+++ b/src/summary.cpp
@@ -22,8 +22,11 @@ void write_summary()
   // Display output message
   write_message("Writing summary.h5 file...", 5);
 
+  // Set filename for summary file
+  filename = fmt::format("{}summary.h5", settings::path_output, w);
+
   // Create a new file using default properties.
-  hid_t file = file_open("summary.h5", 'w');
+  hid_t file = file_open(filename, 'w');
 
   write_header(file);
   write_nuclides(file);

From e14de1600abd4ffb67f0a5390d826f1baefaa930 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <drshimwell@gmail.com>
Date: Thu, 10 Mar 2022 21:08:46 +0000
Subject: [PATCH 0059/2654] removing ,w from filename

---
 src/output.cpp  | 2 +-
 src/summary.cpp | 2 +-
 2 files changed, 2 insertions(+), 2 deletions(-)

diff --git a/src/output.cpp b/src/output.cpp
index 132f153bf..e277f4f62 100644
--- a/src/output.cpp
+++ b/src/output.cpp
@@ -577,7 +577,7 @@ void write_tallies()
     return;
 
   // Set filename for tallies_out
-  filename = fmt::format("{}tallies.out", settings::path_output, w);
+  filename = fmt::format("{}tallies.out", settings::path_output);
 
   // Open the tallies.out file.
   std::ofstream tallies_out;
diff --git a/src/summary.cpp b/src/summary.cpp
index 213ce9437..3075f621f 100644
--- a/src/summary.cpp
+++ b/src/summary.cpp
@@ -23,7 +23,7 @@ void write_summary()
   write_message("Writing summary.h5 file...", 5);
 
   // Set filename for summary file
-  filename = fmt::format("{}summary.h5", settings::path_output, w);
+  filename = fmt::format("{}summary.h5", settings::path_output);
 
   // Create a new file using default properties.
   hid_t file = file_open(filename, 'w');

From 1b6a341878f0e46c70ca39f7c7f50a758c301fd8 Mon Sep 17 00:00:00 2001
From: shimwell <mail@jshimwell.com>
Date: Thu, 10 Mar 2022 21:30:41 +0000
Subject: [PATCH 0060/2654] declared filename before use

---
 src/output.cpp  | 1 +
 src/summary.cpp | 1 +
 2 files changed, 2 insertions(+)

diff --git a/src/output.cpp b/src/output.cpp
index e277f4f62..5c6f2b677 100644
--- a/src/output.cpp
+++ b/src/output.cpp
@@ -577,6 +577,7 @@ void write_tallies()
     return;
 
   // Set filename for tallies_out
+  std::string filename;
   filename = fmt::format("{}tallies.out", settings::path_output);
 
   // Open the tallies.out file.
diff --git a/src/summary.cpp b/src/summary.cpp
index 3075f621f..1915fde33 100644
--- a/src/summary.cpp
+++ b/src/summary.cpp
@@ -23,6 +23,7 @@ void write_summary()
   write_message("Writing summary.h5 file...", 5);
 
   // Set filename for summary file
+  std::string filename;
   filename = fmt::format("{}summary.h5", settings::path_output);
 
   // Create a new file using default properties.

From 99cb83c035e12b54ff6c9ab58f34214d1b5ee951 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <drshimwell@gmail.com>
Date: Thu, 10 Mar 2022 22:14:37 +0000
Subject: [PATCH 0061/2654] Suggestions from PR review by @Paulromano

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/settings.py | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/openmc/settings.py b/openmc/settings.py
index e09d13ed9..1f295d99e 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -474,7 +474,7 @@ class Settings:
         return self._max_splits
 
     @run_mode.setter
-    def run_mode(self, run_mode: RunMode):
+    def run_mode(self, run_mode: str):
         cv.check_value('run mode', run_mode, {x.value for x in RunMode})
         for mode in RunMode:
             if mode.value == run_mode:
@@ -774,7 +774,7 @@ class Settings:
         self._trace = trace
 
     @track.setter
-    def track(self, track: Iterable):
+    def track(self, track: typint.Iterable[int]):
         cv.check_type('track', track, Iterable, Integral)
         if len(track) % 3 != 0:
             msg = f'Unable to set the track to "{track}" since its length is ' \

From 4cfc01f5b971561a70d4e9932a5f694f37b32ec9 Mon Sep 17 00:00:00 2001
From: shimwell <mail@jshimwell.com>
Date: Thu, 10 Mar 2022 22:20:25 +0000
Subject: [PATCH 0062/2654] sorted imports improved source and path type hints

---
 openmc/settings.py | 18 ++++++++++--------
 1 file changed, 10 insertions(+), 8 deletions(-)

diff --git a/openmc/settings.py b/openmc/settings.py
index 1f295d99e..a9f0cdb8e 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -1,14 +1,16 @@
-from collections.abc import Iterable, MutableSequence, Mapping
+import os
+import typing as typing  # imported separately as py3.8 requires typing.Iterable
+from collections.abc import Iterable, Mapping, MutableSequence
 from enum import Enum
+from math import ceil
+from numbers import Integral, Real
 from pathlib import Path
-from numbers import Real, Integral
-import typing as typing  # imported separately as py3.8 requires typing.Iterable 
 from typing import Optional, Union
 from xml.etree import ElementTree as ET
-from math import ceil
 
 import openmc.checkvalue as cv
-from . import VolumeCalculation, Source, RegularMesh, WeightWindows
+
+from . import RegularMesh, Source, VolumeCalculation, WeightWindows
 from ._xml import clean_indentation, get_text, reorder_attributes
 
 
@@ -561,7 +563,7 @@ class Settings:
         self._max_order = max_order
 
     @source.setter
-    def source(self, source: typing.Iterable[Source]):
+    def source(self, source: Union[Source, typing.Iterable[Source]]):
         if not isinstance(source, MutableSequence):
             source = [source]
         self._source = cv.CheckedList(Source, 'source distributions', source)
@@ -1494,7 +1496,7 @@ class Settings:
         if text is not None:
             self.max_splits = int(text)
 
-    def export_to_xml(self, path: str = 'settings.xml'):
+    def export_to_xml(self, path: Union[str, os.PathLike] = 'settings.xml'):
         """Export simulation settings to an XML file.
 
         Parameters
@@ -1565,7 +1567,7 @@ class Settings:
         tree.write(str(p), xml_declaration=True, encoding='utf-8')
 
     @classmethod
-    def from_xml(cls, path: str = 'settings.xml'):
+    def from_xml(cls, path: Union[str, os.PathLike] = 'settings.xml'):
         """Generate settings from XML file
 
         .. versionadded:: 0.13.0

From 7657e5ffcf707ec1af624fa03bb55897084760f6 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <drshimwell@gmail.com>
Date: Thu, 10 Mar 2022 22:45:13 +0000
Subject: [PATCH 0063/2654] fixed typo

---
 openmc/settings.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/settings.py b/openmc/settings.py
index a9f0cdb8e..75c04a637 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -776,7 +776,7 @@ class Settings:
         self._trace = trace
 
     @track.setter
-    def track(self, track: typint.Iterable[int]):
+    def track(self, track: typing.Iterable[int]):
         cv.check_type('track', track, Iterable, Integral)
         if len(track) % 3 != 0:
             msg = f'Unable to set the track to "{track}" since its length is ' \

From c8de525c001cd9787b9f875442071ab258408b01 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <drshimwell@gmail.com>
Date: Fri, 11 Mar 2022 15:36:44 +0000
Subject: [PATCH 0064/2654] Suggestions from review by @paulromano

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 src/output.cpp  | 3 +--
 src/summary.cpp | 3 +--
 2 files changed, 2 insertions(+), 4 deletions(-)

diff --git a/src/output.cpp b/src/output.cpp
index 5c6f2b677..58f081f67 100644
--- a/src/output.cpp
+++ b/src/output.cpp
@@ -577,8 +577,7 @@ void write_tallies()
     return;
 
   // Set filename for tallies_out
-  std::string filename;
-  filename = fmt::format("{}tallies.out", settings::path_output);
+  std::string filename = fmt::format("{}tallies.out", settings::path_output);
 
   // Open the tallies.out file.
   std::ofstream tallies_out;
diff --git a/src/summary.cpp b/src/summary.cpp
index 1915fde33..b3ea0254e 100644
--- a/src/summary.cpp
+++ b/src/summary.cpp
@@ -23,8 +23,7 @@ void write_summary()
   write_message("Writing summary.h5 file...", 5);
 
   // Set filename for summary file
-  std::string filename;
-  filename = fmt::format("{}summary.h5", settings::path_output);
+  std::string filename = fmt::format("{}summary.h5", settings::path_output);
 
   // Create a new file using default properties.
   hid_t file = file_open(filename, 'w');

From 7b627cc55f923a26b1e91ad86ba935880cc96365 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 11 Mar 2022 09:51:22 -0600
Subject: [PATCH 0065/2654] Changing attrigute energy_bins to energy_bounds for
 wws

---
 include/openmc/weight_windows.h               |  2 +-
 openmc/weight_windows.py                      | 36 +++++++++----------
 src/weight_windows.cpp                        | 14 ++++----
 .../weightwindows/inputs_true.dat             |  4 +--
 4 files changed, 28 insertions(+), 28 deletions(-)

diff --git a/include/openmc/weight_windows.h b/include/openmc/weight_windows.h
index c2ef29ae8..45c1de919 100644
--- a/include/openmc/weight_windows.h
+++ b/include/openmc/weight_windows.h
@@ -100,7 +100,7 @@ private:
   // Data members
   int32_t id_;                     //!< Unique ID
   ParticleType particle_type_;     //!< Particle type to apply weight windows to
-  vector<double> energy_bins_;     //!< Energy bins [eV]
+  vector<double> energy_bounds_;   //!< Energy boundaries [eV]
   vector<double> lower_ww_;        //!< Lower weight window bounds
   vector<double> upper_ww_;        //!< Upper weight window bounds
   double survival_ratio_ {3.0};    //!< Survival weight ratio
diff --git a/openmc/weight_windows.py b/openmc/weight_windows.py
index e07e8a84f..5e21d5f4b 100644
--- a/openmc/weight_windows.py
+++ b/openmc/weight_windows.py
@@ -40,7 +40,7 @@ class WeightWindows(IDManagerMixin):
         window
     upper_bound_ratio : float
         Ratio of the lower to upper weight window bounds
-    energy_bins : Iterable of Real
+    energy_bounds : Iterable of Real
         A list of values for which each successive pair constitutes a range of
         energies in [eV] for a single bin
     particle_type : {'neutron', 'photon'}
@@ -69,7 +69,7 @@ class WeightWindows(IDManagerMixin):
         Mesh for the weight windows
     particle_type : str
         Particle type the weight windows apply to
-    energy_bins : Iterable of Real
+    energy_bounds : Iterable of Real
         A list of values for which each successive pair constitutes a range of
         energies in [eV] for a single bin
     lower_ww_bounds : Iterable of Real
@@ -98,16 +98,16 @@ class WeightWindows(IDManagerMixin):
     used_ids = set()
 
     def __init__(self, mesh, lower_ww_bounds, upper_ww_bounds=None,
-                 upper_bound_ratio=None, energy_bins=None, particle_type='neutron',
+                 upper_bound_ratio=None, energy_bounds=None, particle_type='neutron',
                  survival_ratio=3, max_lower_bound_ratio=None, max_split=10,
                  weight_cutoff=1.e-38, id=None):
         self.mesh = mesh
         self.id = id
         self.particle_type = particle_type
-        self.energy_bins = energy_bins
+        self.energy_bounds = energy_bounds
         self.lower_ww_bounds = lower_ww_bounds
 
-        cv.check_length('Lower window bounds', self.lower_ww_bounds, len(self.energy_bins))
+        cv.check_length('Lower window bounds', self.lower_ww_bounds, len(self.energy_bounds))
 
         if upper_ww_bounds is not None and upper_bound_ratio:
             raise ValueError("Exactly one of upper_ww_bounds and "
@@ -143,7 +143,7 @@ class WeightWindows(IDManagerMixin):
         string += '{: <16}=\t{}\n'.format('\tID', self._id)
         string += '{: <16}=\t{}\n'.format('\tMesh:', self.mesh)
         string += '{: <16}=\t{}\n'.format('\tParticle Type', self._particle_type)
-        string += '{: <16}=\t{}\n'.format('\tEnergy Bins', self._energy_bins)
+        string += '{: <16}=\t{}\n'.format('\tEnergy Bounds', self._energy_bounds)
         string += '{: <16}=\t{}\n'.format('\tLower WW Bounds', self._lower_ww_bounds)
         string += '{: <16}=\t{}\n'.format('\tUpper WW Bounds', self._upper_ww_bounds)
         string += '{: <16}=\t{}\n'.format('\tSurvival Ratio', self._survival_ratio)
@@ -170,13 +170,13 @@ class WeightWindows(IDManagerMixin):
         self._particle_type = pt
 
     @property
-    def energy_bins(self):
-        return self._energy_bins
+    def energy_bounds(self):
+        return self._energy_bounds
 
-    @energy_bins.setter
-    def energy_bins(self, bins):
-        cv.check_type('Energy bins', bins, Iterable, Real)
-        self._energy_bins = np.array(bins)
+    @energy_bounds.setter
+    def energy_bounds(self, bnds):
+        cv.check_type('Energy bounds', bnds, Iterable, Real)
+        self._energy_bounds = np.array(bnds)
 
     @property
     def lower_ww_bounds(self):
@@ -253,8 +253,8 @@ class WeightWindows(IDManagerMixin):
         subelement = ET.SubElement(element, 'particle_type')
         subelement.text = self.particle_type
 
-        subelement = ET.SubElement(element, 'energy_bins')
-        subelement.text = ' '.join(str(e) for e in self.energy_bins)
+        subelement = ET.SubElement(element, 'energy_bounds')
+        subelement.text = ' '.join(str(e) for e in self.energy_bounds)
 
         subelement = ET.SubElement(element, 'lower_ww_bounds')
         subelement.text = ' '.join(str(b) for b in self.lower_ww_bounds)
@@ -303,7 +303,7 @@ class WeightWindows(IDManagerMixin):
         # Read all other parameters
         lower_ww_bounds = [float(l) for l in get_text(elem, 'lower_ww_bounds').split()]
         upper_ww_bounds = [float(u) for u in get_text(elem, 'upper_ww_bounds').split()]
-        ebins = [float(b) for b in get_text(elem, 'energy_bins').split()]
+        ebnds = [float(b) for b in get_text(elem, 'energy_bounds').split()]
         particle_type = get_text(elem, 'particle_type')
         survival_ratio = float(get_text(elem, 'survival_ratio'))
 
@@ -319,7 +319,7 @@ class WeightWindows(IDManagerMixin):
             mesh=mesh,
             lower_ww_bounds=lower_ww_bounds,
             upper_ww_bounds=upper_ww_bounds,
-            energy_bins=ebins,
+            energy_bounds=ebnds,
             particle_type=particle_type,
             survival_ratio=survival_ratio,
             max_lower_bound_ratio=max_lower_bound_ratio,
@@ -348,7 +348,7 @@ class WeightWindows(IDManagerMixin):
         id = int(group.name.split('/')[-1].lstrip('weight_windows'))
         mesh_id = group['mesh'][()]
         ptype = group['particle_type'][()].decode()
-        ebins = group['energy_bins'][()]
+        ebnds = group['energy_bounds'][()]
         lower_ww_bounds = group['lower_ww_bounds'][()]
         upper_ww_bounds = group['upper_ww_bounds'][()]
         survival_ratio = group['survival_ratio'][()]
@@ -364,7 +364,7 @@ class WeightWindows(IDManagerMixin):
             mesh=meshes[mesh_id],
             lower_ww_bounds=lower_ww_bounds,
             upper_ww_bounds=upper_ww_bounds,
-            energy_bins=ebins,
+            energy_bounds=ebnds,
             particle_type=ptype,
             survival_ratio=survival_ratio,
             max_lower_bound_ratio=max_lower_bound_ratio,
diff --git a/src/weight_windows.cpp b/src/weight_windows.cpp
index e753fc6ac..b8b927194 100644
--- a/src/weight_windows.cpp
+++ b/src/weight_windows.cpp
@@ -112,8 +112,8 @@ void free_memory_weight_windows()
 WeightWindows::WeightWindows(pugi::xml_node node)
 {
   // Make sure required elements are present
-  const vector<std::string> required_elems {
-    "id", "particle_type", "energy_bins", "lower_ww_bounds", "upper_ww_bounds"};
+  const vector<std::string> required_elems {"id", "particle_type",
+    "energy_bounds", "lower_ww_bounds", "upper_ww_bounds"};
   for (const auto& elem : required_elems) {
     if (!check_for_node(node, elem.c_str())) {
       fatal_error(fmt::format("Must specify <{}> for weight windows.", elem));
@@ -133,7 +133,7 @@ WeightWindows::WeightWindows(pugi::xml_node node)
   mesh_idx_ = model::mesh_map.at(mesh_id);
 
   // energy bounds
-  energy_bins_ = get_node_array<double>(node, "energy_bins");
+  energy_bounds_ = get_node_array<double>(node, "energy_bounds");
 
   // read the lower/upper weight bounds
   lower_ww_ = get_node_array<double>(node, "lower_ww_bounds");
@@ -178,7 +178,7 @@ WeightWindows::WeightWindows(pugi::xml_node node)
 
   // num spatial*energy bins must match num weight bins
   int num_spatial_bins = this->mesh().n_bins();
-  int num_energy_bins = energy_bins_.size() - 1;
+  int num_energy_bins = energy_bounds_.size() - 1;
   int num_weight_bins = lower_ww_.size();
   if (num_weight_bins != num_spatial_bins * num_energy_bins) {
     auto err_msg =
@@ -240,12 +240,12 @@ WeightWindow WeightWindows::get_weight_window(const Particle& p) const
   double E = p.E();
 
   // check to make sure energy is in range, expects sorted energy values
-  if (E < energy_bins_.front() || E > energy_bins_.back())
+  if (E < energy_bounds_.front() || E > energy_bounds_.back())
     return {};
 
   // get the mesh bin in energy group
   int energy_bin =
-    lower_bound_index(energy_bins_.begin(), energy_bins_.end(), E);
+    lower_bound_index(energy_bounds_.begin(), energy_bounds_.end(), E);
 
   // indices now points to the correct weight for the given energy
   ww_index += energy_bin * mesh.n_bins();
@@ -267,7 +267,7 @@ void WeightWindows::to_hdf5(hid_t group) const
 
   write_dataset(
     ww_group, "particle_type", openmc::particle_type_to_str(particle_type_));
-  write_dataset(ww_group, "energy_bins", energy_bins_);
+  write_dataset(ww_group, "energy_bounds", energy_bounds_);
   write_dataset(ww_group, "lower_ww_bounds", lower_ww_);
   write_dataset(ww_group, "upper_ww_bounds", upper_ww_);
   write_dataset(ww_group, "survival_ratio", survival_ratio_);
diff --git a/tests/regression_tests/weightwindows/inputs_true.dat b/tests/regression_tests/weightwindows/inputs_true.dat
index 13641bf7a..e6a0ad55f 100644
--- a/tests/regression_tests/weightwindows/inputs_true.dat
+++ b/tests/regression_tests/weightwindows/inputs_true.dat
@@ -47,7 +47,7 @@
   <weight_windows id="1">
     <mesh>2</mesh>
     <particle_type>neutron</particle_type>
-    <energy_bins>0.0 0.5 20000000.0</energy_bins>
+    <energy_bounds>0.0 0.5 20000000.0</energy_bounds>
     <lower_ww_bounds>-1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 7.695031155172816e-14 -1.0 7.476545089278482e-06 -1.0 2.1612150425221703e-06 -1.0 -1.0 -1.0 2.1360401784344975e-18 -1.0 1.3455341306162382e-05 -1.0 3.353295403842037e-05 -1.0 3.0160758454323657e-07 -1.0 1.0262431550731535e-13 -1.0 1.6859219614058024e-19 -1.0 3.853097455417877e-06 -1.0 4.354946981329799e-05 -1.0 7.002861620919232e-08 -1.0 -1.0 -1.0 -1.0 -1.0 1.6205064883026195e-11 -1.0 1.7041669224797384e-09 -1.0 1.8747824667478637e-14 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 5.619835883512353e-14 -1.0 1.951356547084204e-15 -1.0 8.48176145671274e-10 -1.0 -1.0 -1.0 1.4508262073256659e-13 -1.0 4.109066205029878e-05 -1.0 0.00020573181450240786 -1.0 2.124999182004655e-05 -1.0 5.5379154134462336e-08 -1.0 1.5550455959178486e-06 -1.0 0.0007213722022489493 -1.0 0.007673145137236567 -1.0 0.0008175033526488423 -1.0 1.008394964750947e-06 -1.0 6.848642863465585e-07 -1.0 0.0010737081832502356 -1.0 0.007197662162700777 -1.0 0.0007151459162818186 -1.0 2.253382683081525e-06 -1.0 1.3181562352445092e-10 -1.0 1.93847081892941e-05 -1.0 0.00046029617115127556 -1.0 2.5629068330446215e-05 -1.0 5.504813693036933e-12 -1.0 -1.0 -1.0 3.3164825349503764e-16 -1.0 3.937160538176268e-07 -1.0 -1.0 -1.0 -1.0 -1.0 1.5172912057312398e-14 -1.0 6.315154082213375e-07 -1.0 3.855884234344845e-06 -1.0 1.7770136411255912e-05 -1.0 1.6421491993751715e-11 -1.0 5.97653814110781e-06 -1.0 0.001959411999677113 -1.0 0.013330619853379314 -1.0 0.0017950613169359904 -1.0 2.4306375693722205e-06 -1.0 6.922231352729155e-05 -1.0 0.08657573566388353 -1.0 -1.0 -1.0 0.0835648710074336 -1.0 0.00016419031150495913 -1.0 9.03108551826469e-05 -1.0 0.0848872967381878 -1.0 -1.0 -1.0 0.08288806458368345 -1.0 5.6949597066784976e-05 -1.0 8.037131813528501e-07 -1.0 0.0016637126543321873 -1.0 0.01664109232689093 -1.0 0.0018327593437608 -1.0 6.542700644645627e-07 -1.0 -1.0 -1.0 6.655926357459275e-08 -1.0 5.783974359937857e-06 -1.0 2.679340942769232e-06 -1.0 -1.0 -1.0 -1.0 -1.0 2.1040609012865134e-05 -1.0 2.9282097947816224e-05 -1.0 1.284759166582202e-05 -1.0 1.0092905083158804e-11 -1.0 1.3228013765525015e-05 -1.0 0.007136750029575816 -1.0 0.06539005235506369 -1.0 0.0064803314120165335 -1.0 2.6011787393916806e-06 -1.0 8.887234042637684e-05 -1.0 0.5 -1.0 -1.0 -1.0 0.4877856021170283 -1.0 0.00017699858357744463 -1.0 0.0001670700632870335 -1.0 0.4899999304038166 -1.0 -1.0 -1.0 0.48573842213878143 -1.0 0.00021534568699157805 -1.0 7.84289689494925e-06 -1.0 0.0063790654507599135 -1.0 0.06550426960512012 -1.0 0.006639379668946672 -1.0 7.754700849337902e-06 -1.0 2.7207433165796702e-11 -1.0 5.985108617124989e-06 -1.0 3.634644995026692e-05 -1.0 3.932389299316285e-06 -1.0 -1.0 -1.0 -1.0 -1.0 1.271128669411295e-07 -1.0 8.846493399850663e-06 -1.0 2.499931357628383e-07 -1.0 8.533030345699353e-17 -1.0 1.6699254277734109e-06 -1.0 0.0017541380096893788 -1.0 0.015148978428271613 -1.0 0.0016279794552427574 -1.0 2.380955631371226e-06 -1.0 2.1648918040467363e-05 -1.0 0.0833931797381589 -1.0 -1.0 -1.0 0.08285899874014539 -1.0 2.762955748645507e-05 -1.0 5.1161740516205715e-05 -1.0 0.08095280568305474 -1.0 -1.0 -1.0 0.08636569925236791 -1.0 3.452537179033895e-05 -1.0 3.5981031766416143e-06 -1.0 0.001570829313580841 -1.0 0.01621821782442112 -1.0 0.0015447823995470042 -1.0 7.989579285134734e-06 -1.0 -1.0 -1.0 2.594951085377588e-06 -1.0 4.323138781337963e-05 -1.0 6.948292975998466e-07 -1.0 -1.0 -1.0 -1.0 -1.0 2.4469456008493614e-09 -1.0 9.041149893307806e-07 -1.0 2.2060992580622125e-11 -1.0 -1.0 -1.0 1.681305446488884e-11 -1.0 7.091263906557291e-05 -1.0 0.00027464244062887683 -1.0 1.28584557092134e-05 -1.0 2.0295213621716706e-09 -1.0 1.2911827198500372e-08 -1.0 0.0009127050763987511 -1.0 0.007385384405891666 -1.0 0.0010019432401508087 -1.0 1.080711295768551e-05 -1.0 8.020767115181574e-07 -1.0 0.0009252532821720597 -1.0 0.007188410694198128 -1.0 0.0007245451610090619 -1.0 2.5157355790201773e-07 -1.0 1.4825219199133353e-12 -1.0 4.756872959630257e-05 -1.0 0.0002668579837809081 -1.0 2.8226276944532696e-05 -1.0 5.182269672663266e-10 -1.0 -1.0 -1.0 2.936268747135548e-14 -1.0 2.5447281241730366e-07 -1.0 3.89841667138598e-08 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 2.639268952045579e-10 -1.0 3.7051518220083886e-06 -1.0 1.1333627604823673e-09 -1.0 -1.0 -1.0 -1.0 -1.0 1.2296747260635405e-06 -1.0 7.962899789920809e-06 -1.0 8.211982683649991e-09 -1.0 -1.0 -1.0 -1.0 -1.0 2.5639656866250453e-06 -1.0 2.2487617828938326e-05 -1.0 3.2799045883372075e-06 -1.0 4.076762579823379e-17 -1.0 1.5476769237571295e-14 -1.0 1.0305672698745657e-11 -1.0 1.957092814065688e-05 -1.0 3.8523247550378815e-12 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 2.7697233171399416e-13 -1.0 -1.0 -1.0 -1.0 -1.0</lower_ww_bounds>
     <upper_ww_bounds>-10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 7.695031155172816e-13 -10.0 7.476545089278483e-05 -10.0 2.1612150425221703e-05 -10.0 -10.0 -10.0 2.1360401784344976e-17 -10.0 0.00013455341306162382 -10.0 0.00033532954038420373 -10.0 3.0160758454323656e-06 -10.0 1.0262431550731535e-12 -10.0 1.6859219614058023e-18 -10.0 3.853097455417877e-05 -10.0 0.00043549469813297995 -10.0 7.002861620919232e-07 -10.0 -10.0 -10.0 -10.0 -10.0 1.6205064883026195e-10 -10.0 1.7041669224797384e-08 -10.0 1.8747824667478637e-13 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 5.619835883512353e-13 -10.0 1.951356547084204e-14 -10.0 8.48176145671274e-09 -10.0 -10.0 -10.0 1.4508262073256658e-12 -10.0 0.0004109066205029878 -10.0 0.0020573181450240785 -10.0 0.00021249991820046548 -10.0 5.537915413446234e-07 -10.0 1.5550455959178486e-05 -10.0 0.0072137220224894934 -10.0 0.07673145137236567 -10.0 0.008175033526488424 -10.0 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     <survival_ratio>3</survival_ratio>
@@ -63,7 +63,7 @@
   <weight_windows id="2">
     <mesh>2</mesh>
     <particle_type>neutron</particle_type>
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     <survival_ratio>3</survival_ratio>

From 1e61ccb27faf48b93d2184592e321f7f9ff02208 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 11 Mar 2022 10:39:38 -0600
Subject: [PATCH 0066/2654] Add check that ww class can be converted to str
 successfully

---
 tests/unit_tests/weightwindows/test.py | 1 +
 1 file changed, 1 insertion(+)

diff --git a/tests/unit_tests/weightwindows/test.py b/tests/unit_tests/weightwindows/test.py
index aaa0bb523..4f986e064 100644
--- a/tests/unit_tests/weightwindows/test.py
+++ b/tests/unit_tests/weightwindows/test.py
@@ -126,6 +126,7 @@ def test_weightwindows(model):
 
         model.settings.weight_windows = [ww_n, ww_p]
 
+        _ = [str(ww) for ww in model.settings.weight_windows]
 
         # run again with variance reduction on
         model.settings.weight_windows_on = True

From 5ae761796362002c86a7de16259807add18e35b5 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 11 Mar 2022 11:31:25 -0600
Subject: [PATCH 0067/2654] Removing specified length multiplier attribute.
 Updating string representation

---
 openmc/mesh.py | 16 ++++++----------
 1 file changed, 6 insertions(+), 10 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 40d56f502..584ea81ce 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -1137,9 +1137,6 @@ class UnstructuredMesh(MeshBase):
     output : bool
         Indicates whether or not automatic tally output should
         be generated for this mesh
-    specified_length_multiplier: bool
-        Indicates whether a non-unity length multiplier has been
-        applied to this mesh
     volumes : Iterable of float
         Volumes of the unstructured mesh elements
     total_volume : float
@@ -1156,7 +1153,6 @@ class UnstructuredMesh(MeshBase):
         self._centroids = None
         self.library = library
         self._output = True
-        self._specified_length_multiplier = False
         self.length_multiplier = length_multiplier
 
     @property
@@ -1241,17 +1237,17 @@ class UnstructuredMesh(MeshBase):
     @length_multiplier.setter
     def length_multiplier(self, length_multiplier):
         cv.check_type("Unstructured mesh length multiplier",
-                                length_multiplier,
-                                Real)
+                      length_multiplier,
+                      Real)
         self._length_multiplier = length_multiplier
 
-        if (self._length_multiplier != 1.0):
-          self._specified_length_multiplier = True
-
     def __repr__(self):
         string = super().__repr__()
         string += '{: <16}=\t{}\n'.format('\tFilename', self.filename)
         string += '{: <16}=\t{}\n'.format('\tMesh Library', self.mesh_lib)
+        if self.length_multiplier != 1.0:
+            string += '{: <16}=\t{}\n'.format('\tLength multiplier',
+                                              self.length_multiplier)
         return string
 
     def write_data_to_vtk(self, filename, datasets, volume_normalization=True):
@@ -1374,7 +1370,7 @@ class UnstructuredMesh(MeshBase):
         subelement = ET.SubElement(element, "filename")
         subelement.text = self.filename
 
-        if (self._specified_length_multiplier):
+        if self._length_multiplier != 1.0:
           element.set("length_multiplier", str(self.length_multiplier))
 
         return element

From 2909182443dcba5dcf8b23a4293180e189a260db Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 11 Mar 2022 11:38:04 -0600
Subject: [PATCH 0068/2654] Enforcing shape when settings lower/upper ww bounds

---
 openmc/weight_windows.py | 34 +++++++++++++++++++++++++++++-----
 1 file changed, 29 insertions(+), 5 deletions(-)

diff --git a/openmc/weight_windows.py b/openmc/weight_windows.py
index 5e21d5f4b..f8e058f70 100644
--- a/openmc/weight_windows.py
+++ b/openmc/weight_windows.py
@@ -5,7 +5,7 @@ from xml.etree import ElementTree as ET
 import numpy as np
 
 from openmc.filter import _PARTICLES
-from openmc.mesh import MeshBase
+from openmc.mesh import MeshBase, UnstructuredMesh
 import openmc.checkvalue as cv
 
 from ._xml import get_text
@@ -178,14 +178,28 @@ class WeightWindows(IDManagerMixin):
         cv.check_type('Energy bounds', bnds, Iterable, Real)
         self._energy_bounds = np.array(bnds)
 
+    @property
+    def num_energy_bins(self):
+        return self.energy_bounds.size - 1
+
     @property
     def lower_ww_bounds(self):
         return self._lower_ww_bounds
 
     @lower_ww_bounds.setter
     def lower_ww_bounds(self, bounds):
-        cv.check_type('Lower WW bounds', bounds, Iterable, Real)
-        self._lower_ww_bounds = np.array(bounds)
+        cv.check_iterable_type('Lower WW bounds',
+                               bounds,
+                               Real,
+                               min_depth=1,
+                               max_depth=4)
+        # reshape data according to mesh and energy bins
+        bounds = np.asarray(bounds)
+        if isinstance(self.mesh, UnstructuredMesh):
+            bounds.reshape(-1, self.num_energy_bins)
+        else:
+            bounds.reshape(*self.mesh.dimension, self.num_energy_bins)
+        self._lower_ww_bounds = bounds
 
     @property
     def upper_ww_bounds(self):
@@ -193,8 +207,18 @@ class WeightWindows(IDManagerMixin):
 
     @upper_ww_bounds.setter
     def upper_ww_bounds(self, bounds):
-        cv.check_type('Upper WW bounds', bounds, Iterable, Real)
-        self._upper_ww_bounds = np.array(bounds)
+        cv.check_iterable_type('Upper WW bounds',
+                               bounds,
+                               Real,
+                               min_depth=1,
+                               max_depth=4)
+        # reshape data according to mesh and energy bins
+        bounds = np.asarray(bounds)
+        if isinstance(self.mesh, UnstructuredMesh):
+            bounds.reshape(-1, self.num_energy_bins)
+        else:
+            bounds.reshape(*self.mesh.dimension, self.num_energy_bins)
+        self._upper_ww_bounds = bounds
 
     @property
     def survival_ratio(self):

From 88afaac4dac404acc7c6cd6547bfff103f76ac50 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 11 Mar 2022 11:47:58 -0600
Subject: [PATCH 0069/2654] Updating doc strings

---
 openmc/weight_windows.py | 26 +++++++++++++++-----------
 1 file changed, 15 insertions(+), 11 deletions(-)

diff --git a/openmc/weight_windows.py b/openmc/weight_windows.py
index f8e058f70..ad966652e 100644
--- a/openmc/weight_windows.py
+++ b/openmc/weight_windows.py
@@ -50,34 +50,38 @@ class WeightWindows(IDManagerMixin):
         rouletting
     max_lower_bound_ratio : float
         Maximum allowed ratio of a particle's weight to the weight window's
-        lower bound. A factor will be applied to raise the weight window to be lower
-        than the particle's weight by a factor of max_lower_bound_ratio
+        lower bound. A factor will be applied to raise the weight window to be
+        lower than the particle's weight by a factor of max_lower_bound_ratio
         during transport if exceeded.
     max_split : int
         Maximum allowable number of particles when splitting
     weight_cutoff : float
         Threshold below which particles will be terminated
     id : int
-       Unique identifier for the weight window settings. If not
-       specified an identifier will automatically be assigned.
+       Unique identifier for the weight window settings. If not specified an
+       identifier will automatically be assigned.
 
     Attributes
     ----------
     id : int
        Unique identifier for the weight window settings.
     mesh : openmc.MeshBase
-        Mesh for the weight windows
+        Mesh for the weight windows with dimension (ni, nj, nk)
     particle_type : str
         Particle type the weight windows apply to
     energy_bounds : Iterable of Real
         A list of values for which each successive pair constitutes a range of
         energies in [eV] for a single bin
-    lower_ww_bounds : Iterable of Real
-        A list of values for which each value is the lower bound of a weight
-        window
-    upper_ww_bounds : Iterable of Real
-        A list of values for which each value is the upper bound of a weight
-        window
+    num_energy_bins : int
+        Number of energy bins
+    lower_ww_bounds : numpy.ndarray of float
+        An array of values for which each value is the lower bound of a weight
+        window. Shape: (ni, nj, nk, num_energy_bins) for StructuredMesh; (-1,
+        num_energy_bins) for UnstructuredMesh
+    upper_ww_bounds : numpy.ndarray of float
+        An array of values for which each value is the upper bound of a weight
+        window. Shape: (ni, nj, nk, num_energy_bins) for StructuredMesh; (-1,
+        num_energy_bins) for UnstructuredMesh
     survival_ratio : float
         Ratio of the survival weight to the lower weight window bound for
         rouletting

From 4cd9b585f4a12c4309d5fa1b617d6458d7e51808 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 11 Mar 2022 11:54:56 -0600
Subject: [PATCH 0070/2654] Some PEP8 updates

---
 openmc/weight_windows.py | 24 ++++++++++++++++--------
 1 file changed, 16 insertions(+), 8 deletions(-)

diff --git a/openmc/weight_windows.py b/openmc/weight_windows.py
index ad966652e..b96908747 100644
--- a/openmc/weight_windows.py
+++ b/openmc/weight_windows.py
@@ -58,7 +58,7 @@ class WeightWindows(IDManagerMixin):
     weight_cutoff : float
         Threshold below which particles will be terminated
     id : int
-       Unique identifier for the weight window settings. If not specified an
+       Unique identifier for the weight window settings. If not specified, an
        identifier will automatically be assigned.
 
     Attributes
@@ -101,17 +101,25 @@ class WeightWindows(IDManagerMixin):
     next_id = 1
     used_ids = set()
 
-    def __init__(self, mesh, lower_ww_bounds, upper_ww_bounds=None,
-                 upper_bound_ratio=None, energy_bounds=None, particle_type='neutron',
-                 survival_ratio=3, max_lower_bound_ratio=None, max_split=10,
-                 weight_cutoff=1.e-38, id=None):
+    def __init__(self, mesh, lower_ww_bounds,
+                 upper_ww_bounds=None,
+                 upper_bound_ratio=None,
+                 energy_bounds=None,
+                 particle_type='neutron',
+                 survival_ratio=3,
+                 max_lower_bound_ratio=None,
+                 max_split=10,
+                 weight_cutoff=1.e-38,
+                 id=None):
         self.mesh = mesh
         self.id = id
         self.particle_type = particle_type
         self.energy_bounds = energy_bounds
         self.lower_ww_bounds = lower_ww_bounds
 
-        cv.check_length('Lower window bounds', self.lower_ww_bounds, len(self.energy_bounds))
+        cv.check_length('Lower window bounds',
+                        self.lower_ww_bounds,
+                        len(self.energy_bounds))
 
         if upper_ww_bounds is not None and upper_bound_ratio:
             raise ValueError("Exactly one of upper_ww_bounds and "
@@ -130,8 +138,8 @@ class WeightWindows(IDManagerMixin):
             self.upper_ww_bounds = upper_ww_bounds
 
         if len(self.lower_ww_bounds) != len(self.upper_ww_bounds):
-            raise ValueError('Size of the lower and upper weight window bounds '
-                             'do not match')
+            raise ValueError('Size of the lower and upper weight '
+                             'window bounds do not match')
 
         self.survival_ratio = survival_ratio
 

From a76bd56ecd8f606b2b782805721bc52178971ddf Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 11 Mar 2022 11:56:15 -0600
Subject: [PATCH 0071/2654] Adding check that energy bounds are set

---
 openmc/weight_windows.py | 2 ++
 1 file changed, 2 insertions(+)

diff --git a/openmc/weight_windows.py b/openmc/weight_windows.py
index b96908747..36c3932fc 100644
--- a/openmc/weight_windows.py
+++ b/openmc/weight_windows.py
@@ -192,6 +192,8 @@ class WeightWindows(IDManagerMixin):
 
     @property
     def num_energy_bins(self):
+        if self.energy_bounds is None:
+            raise ValueError('Energy bounds are not set')
         return self.energy_bounds.size - 1
 
     @property

From a000921e7c8e87e2085a0f35f1ccd4d7ec572c2a Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 11 Mar 2022 11:58:17 -0600
Subject: [PATCH 0072/2654] Adding comment for clarity

---
 tests/unit_tests/weightwindows/test.py | 1 +
 1 file changed, 1 insertion(+)

diff --git a/tests/unit_tests/weightwindows/test.py b/tests/unit_tests/weightwindows/test.py
index 4f986e064..09055b831 100644
--- a/tests/unit_tests/weightwindows/test.py
+++ b/tests/unit_tests/weightwindows/test.py
@@ -126,6 +126,7 @@ def test_weightwindows(model):
 
         model.settings.weight_windows = [ww_n, ww_p]
 
+        # check that string form of the class can be created
         _ = [str(ww) for ww in model.settings.weight_windows]
 
         # run again with variance reduction on

From 44a5237d44f82b16d41e4ebbd7ebbd7126e1ad4b Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 11 Mar 2022 15:32:39 -0600
Subject: [PATCH 0073/2654] Updating docstrings

---
 openmc/weight_windows.py | 8 ++++----
 1 file changed, 4 insertions(+), 4 deletions(-)

diff --git a/openmc/weight_windows.py b/openmc/weight_windows.py
index 36c3932fc..238678ed7 100644
--- a/openmc/weight_windows.py
+++ b/openmc/weight_windows.py
@@ -76,12 +76,12 @@ class WeightWindows(IDManagerMixin):
         Number of energy bins
     lower_ww_bounds : numpy.ndarray of float
         An array of values for which each value is the lower bound of a weight
-        window. Shape: (ni, nj, nk, num_energy_bins) for StructuredMesh; (-1,
-        num_energy_bins) for UnstructuredMesh
+        window. Shape: (ni, nj, nk, num_energy_bins) for StructuredMesh;
+        (num_elements, num_energy_bins) for UnstructuredMesh
     upper_ww_bounds : numpy.ndarray of float
         An array of values for which each value is the upper bound of a weight
-        window. Shape: (ni, nj, nk, num_energy_bins) for StructuredMesh; (-1,
-        num_energy_bins) for UnstructuredMesh
+        window. Shape: (ni, nj, nk, num_energy_bins) for StructuredMesh;
+        (num_elements, num_energy_bins) for UnstructuredMesh
     survival_ratio : float
         Ratio of the survival weight to the lower weight window bound for
         rouletting

From b3112dc451f7b1d718a1bf44a4cbc7f4d05cee63 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 11 Mar 2022 15:33:39 -0600
Subject: [PATCH 0074/2654] Apply @paulromano suggestions from review

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/weight_windows.py               | 14 +++++++-------
 tests/unit_tests/weightwindows/test.py |  3 ++-
 2 files changed, 9 insertions(+), 8 deletions(-)

diff --git a/openmc/weight_windows.py b/openmc/weight_windows.py
index 238678ed7..c10bb7bf4 100644
--- a/openmc/weight_windows.py
+++ b/openmc/weight_windows.py
@@ -186,9 +186,9 @@ class WeightWindows(IDManagerMixin):
         return self._energy_bounds
 
     @energy_bounds.setter
-    def energy_bounds(self, bnds):
-        cv.check_type('Energy bounds', bnds, Iterable, Real)
-        self._energy_bounds = np.array(bnds)
+    def energy_bounds(self, bounds):
+        cv.check_type('Energy bounds', bounds, Iterable, Real)
+        self._energy_bounds = np.asarray(bounds)
 
     @property
     def num_energy_bins(self):
@@ -341,7 +341,7 @@ class WeightWindows(IDManagerMixin):
         # Read all other parameters
         lower_ww_bounds = [float(l) for l in get_text(elem, 'lower_ww_bounds').split()]
         upper_ww_bounds = [float(u) for u in get_text(elem, 'upper_ww_bounds').split()]
-        ebnds = [float(b) for b in get_text(elem, 'energy_bounds').split()]
+        e_bounds = [float(b) for b in get_text(elem, 'energy_bounds').split()]
         particle_type = get_text(elem, 'particle_type')
         survival_ratio = float(get_text(elem, 'survival_ratio'))
 
@@ -357,7 +357,7 @@ class WeightWindows(IDManagerMixin):
             mesh=mesh,
             lower_ww_bounds=lower_ww_bounds,
             upper_ww_bounds=upper_ww_bounds,
-            energy_bounds=ebnds,
+            energy_bounds=e_bounds,
             particle_type=particle_type,
             survival_ratio=survival_ratio,
             max_lower_bound_ratio=max_lower_bound_ratio,
@@ -386,7 +386,7 @@ class WeightWindows(IDManagerMixin):
         id = int(group.name.split('/')[-1].lstrip('weight_windows'))
         mesh_id = group['mesh'][()]
         ptype = group['particle_type'][()].decode()
-        ebnds = group['energy_bounds'][()]
+        e_bounds = group['energy_bounds'][()]
         lower_ww_bounds = group['lower_ww_bounds'][()]
         upper_ww_bounds = group['upper_ww_bounds'][()]
         survival_ratio = group['survival_ratio'][()]
@@ -402,7 +402,7 @@ class WeightWindows(IDManagerMixin):
             mesh=meshes[mesh_id],
             lower_ww_bounds=lower_ww_bounds,
             upper_ww_bounds=upper_ww_bounds,
-            energy_bounds=ebnds,
+            energy_bounds=e_bounds,
             particle_type=ptype,
             survival_ratio=survival_ratio,
             max_lower_bound_ratio=max_lower_bound_ratio,
diff --git a/tests/unit_tests/weightwindows/test.py b/tests/unit_tests/weightwindows/test.py
index 09055b831..d065ef6d2 100644
--- a/tests/unit_tests/weightwindows/test.py
+++ b/tests/unit_tests/weightwindows/test.py
@@ -127,7 +127,8 @@ def test_weightwindows(model):
         model.settings.weight_windows = [ww_n, ww_p]
 
         # check that string form of the class can be created
-        _ = [str(ww) for ww in model.settings.weight_windows]
+        for ww in model.settings.weight_windows:
+            str(ww)
 
         # run again with variance reduction on
         model.settings.weight_windows_on = True

From 1451e7bfed06c2f3b14b871352ddcfaaeee575d8 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 11 Mar 2022 19:15:48 -0600
Subject: [PATCH 0075/2654] Improve error message if user doesn't set lattice
 universes

---
 openmc/lattice.py                |  8 +++++++-
 tests/unit_tests/test_lattice.py | 16 ++++++++++++++++
 2 files changed, 23 insertions(+), 1 deletion(-)

diff --git a/openmc/lattice.py b/openmc/lattice.py
index 1c311fbb1..b6f1a2774 100644
--- a/openmc/lattice.py
+++ b/openmc/lattice.py
@@ -852,6 +852,10 @@ class RectLattice(Lattice):
         if memo is not None:
             memo.add(self)
 
+        # Make sure universes have been assigned
+        if self.universes is None:
+            raise ValueError(f"Lattice {self.id} does not have universes assigned.")
+
         lattice_subelement = ET.Element("lattice")
         lattice_subelement.set("id", str(self._id))
 
@@ -876,7 +880,7 @@ class RectLattice(Lattice):
         lower_left = ET.SubElement(lattice_subelement, "lower_left")
         lower_left.text = ' '.join(map(str, self._lower_left))
 
-        # Export the Lattice nested Universe IDs - column major for Fortran
+        # Export the Lattice nested Universe IDs
         universe_ids = '\n'
 
         # 3D Lattices
@@ -1448,6 +1452,8 @@ class HexLattice(Lattice):
         center.text = ' '.join(map(str, self._center))
 
         # Export the Lattice nested Universe IDs.
+        if self.universes is None:
+            raise ValueError(f"Lattice {self.id} does not have universes assigned.")
 
         # 3D Lattices
         if self._num_axial is not None:
diff --git a/tests/unit_tests/test_lattice.py b/tests/unit_tests/test_lattice.py
index 31433af7d..28da217b7 100644
--- a/tests/unit_tests/test_lattice.py
+++ b/tests/unit_tests/test_lattice.py
@@ -361,3 +361,19 @@ def test_show_indices():
         assert len(lines) == 4*i - 3
         lines_x = openmc.HexLattice.show_indices(i, 'x').split('\n')
         assert len(lines) == 4*i - 3
+
+
+def test_unset_universes():
+    elem = ET.Element("dummy")
+
+    lattice = openmc.RectLattice()
+    lattice.lower_left = (-1., -1.)
+    lattice.pitch = (1., 1.)
+    with pytest.raises(ValueError):
+        lattice.create_xml_subelement(elem)
+
+    hex_lattice = openmc.HexLattice()
+    hex_lattice.center = (0., 0.)
+    hex_lattice.pitch = (1.,)
+    with pytest.raises(ValueError):
+        hex_lattice.create_xml_subelement(elem)

From e5d1b88ec7d9099aeab19a7ff3f76e1af18aca20 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Wed, 2 Mar 2022 10:12:10 -0600
Subject: [PATCH 0076/2654] Adding support for generating a WeightWindows class
 from a wwinp file.

---
 openmc/weight_windows.py | 160 ++++++++++++++++++++++++++++++++++++++-
 1 file changed, 159 insertions(+), 1 deletion(-)

diff --git a/openmc/weight_windows.py b/openmc/weight_windows.py
index c10bb7bf4..74019a6ac 100644
--- a/openmc/weight_windows.py
+++ b/openmc/weight_windows.py
@@ -5,7 +5,7 @@ from xml.etree import ElementTree as ET
 import numpy as np
 
 from openmc.filter import _PARTICLES
-from openmc.mesh import MeshBase, UnstructuredMesh
+from openmc.mesh import MeshBase, RectilinearMesh, UnstructuredMesh
 import openmc.checkvalue as cv
 
 from ._xml import get_text
@@ -410,3 +410,161 @@ class WeightWindows(IDManagerMixin):
             weight_cutoff=weight_cutoff,
             id=id
         )
+
+    @staticmethod
+    def wwinp(filename):
+        """
+        Returns the next value in the wwinp file.
+
+        filename : str or pathlib.Path
+            Location of the wwinp file
+        """
+        fh = open(filename, 'r')
+
+        # read the first line of the file and
+        # keep only the first four entries
+        while(True):
+            line = next(fh)
+            if line and not line.startswith('c'):
+                break
+
+        values = line.strip().split()[:4]
+        for value in values:
+            yield value
+
+        # the remainder of the file can be read as
+        # sequential values
+        while(True):
+            line = next(fh)
+            # skip empty or commented lines
+            if not line or line.startswith('c'):
+                continue
+            values = line.strip().split()
+            for value in values:
+                yield value
+
+    @classmethod
+    def from_wwinp(cls, filename):
+        """Reads a wwinp file into WeightWindowDomain's
+
+        Parameters
+        ----------
+        path : str
+            Path to the wwinp file.
+
+        Returns
+        -------
+        list of openmc.WeightWindows
+        """
+        # create generator for getting the next parameter from the file
+        wwinp = WeightWindows.wwinp(filename)
+
+        # first parameter, if, of wwinp file is unused
+        next(wwinp)
+
+        # check time parameter, iv
+        if int(float(next(wwinp))) > 1:
+            raise ValueError('Time-dependent weight windows are not yet supported.')
+
+        # number of particles, ni
+        ni = int(float(next(wwinp)))
+
+        # read the mesh type, nr
+        nr = int(float(next(wwinp)))
+
+        if nr != 10:
+            # TODO: read the first entry by default and display a warning
+            raise ValueError('Cylindrical meshes are not currently supported')
+
+        # read the number of energy groups for each particle, ne
+        nes = [int(next(wwinp)) for _ in range(ni)]
+
+        if len(nes) == 1:
+            particles = ['neutron']
+        elif len(nes) == 2:
+            particles = ['neutron', 'photon']
+        else:
+            msg = ('More than two particle types are present. '
+                   'Only neutron and photon weight windows will be read.')
+            raise Warning(msg)
+
+        # read number of fine mesh elements in each coarse
+        # element: nfx, nfy, nfz
+        nfx = int(float(next(wwinp)))
+        nfy = int(float(next(wwinp)))
+        nfz = int(float(next(wwinp)))
+
+        # read the mesh origin: x0, y0, z0
+        llc = tuple(float(next(wwinp)) for _ in range(3))
+
+        # read the number of coarse mesh elements, ncx, ncy, ncz
+        ncx = int(float(next(wwinp)))
+        ncy = int(float(next(wwinp)))
+        ncz = int(float(next(wwinp)))
+
+        # skip the value defining the geometry type, nwg, we already know this
+        next(wwinp)
+
+        def _read_mesh_coords(wwinp, n_coarse_bins):
+            coords = [float(next(wwinp))]
+
+            for _ in range(n_coarse_bins):
+                # TODO: These are setup to read according to the MCNP5 format
+                sx = int(float(next(wwinp))) # number of fine mesh elements in between, sx
+                px = float(next(wwinp))  # value of next coordinate, px
+                qx = next(wwinp)  # this value is unused, qx
+                print(qx)
+
+                # append the fine mesh coordinates for this coarse element
+                coords += list(np.linspace(coords[-1], px, sx + 1))[1:]
+
+            return np.asarray(coords)
+
+        # read the coordinates for each dimension into a rectilinear mesh
+        mesh = RectilinearMesh()
+        mesh.x_grid = _read_mesh_coords(wwinp, ncx)
+        mesh.y_grid = _read_mesh_coords(wwinp, ncy)
+        mesh.z_grid = _read_mesh_coords(wwinp, ncz)
+
+        dims = ('x', 'y', 'z')
+        # check consistency of mesh coordinates
+        mesh_llc = mesh_val = (mesh.x_grid[0], mesh.y_grid[0], mesh.z_grid[0])
+        for dim, header_val, mesh_val in zip(dims, llc, mesh_llc):
+            if header_val != mesh_val:
+                msg = ('The {} corner of the mesh ({}) does not match '
+                       'the value read in block 1 of the wwinp file ({})')
+                raise ValueError(msg.format(dim, mesh_val, header_val))
+
+        mesh_dims = mesh.dimension
+        for dim, header_val, mesh_val in zip(dims, (nfx, nfy, nfz), mesh_dims):
+            if header_val != mesh_val:
+                msg = ('Total number of mesh elements read in the {} '
+                       'direction ({}) is inconsistent with the '
+                       'number read in block 1 of the wwinp file ({})')
+                raise ValueError(msg.format(dim, mesh_val, header_val))
+
+        # total number of fine mesh elements, nft
+        nft = nfx * nfy * nfz
+        # read energy bins and weight window values for each particle
+        wws = []
+        for particle, ne in zip(particles, nes):
+            # read energy
+            e_groups = np.asarray([float(next(wwinp)) for _ in range(ne)])
+
+            # adjust energy from MeV to eV
+            e_groups *= 1E6
+
+            # create an array for weight window lower bounds
+            ww_lb = np.zeros((ne, nft))
+            for e in range(ne):
+                ww_lb[e, :] = [float(next(wwinp)) for _ in range(nft)]
+
+            settings = WeightWindows(id=None,
+                                     mesh=mesh,
+                                     lower_ww_bounds=ww_lb.flatten(),
+                                     upper_bound_ratio=5.0,
+                                     energy_bins=e_groups,
+                                     particle_type=particle)
+            wws.append(settings)
+
+        return wws
\ No newline at end of file

From 2a8df194ca40481a14055df75bf6a757bf15e270 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 4 Mar 2022 10:24:51 -0600
Subject: [PATCH 0077/2654] Using warnings.warn instead of raising a warning

---
 openmc/weight_windows.py | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/openmc/weight_windows.py b/openmc/weight_windows.py
index 74019a6ac..1456e33bd 100644
--- a/openmc/weight_windows.py
+++ b/openmc/weight_windows.py
@@ -1,5 +1,6 @@
 from collections.abc import Iterable
 from numbers import Real, Integral
+import warnings
 
 from xml.etree import ElementTree as ET
 import numpy as np
@@ -486,7 +487,7 @@ class WeightWindows(IDManagerMixin):
         else:
             msg = ('More than two particle types are present. '
                    'Only neutron and photon weight windows will be read.')
-            raise Warning(msg)
+            raise warnings.warn(msg)
 
         # read number of fine mesh elements in each coarse
         # element: nfx, nfy, nfz

From 69dcabc6b5b961b6259638af660ea6daa32b2d65 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 4 Mar 2022 10:57:37 -0600
Subject: [PATCH 0078/2654] Updating variable names to be more readable

---
 openmc/weight_windows.py | 84 +++++++++++++++++++++++-----------------
 1 file changed, 48 insertions(+), 36 deletions(-)

diff --git a/openmc/weight_windows.py b/openmc/weight_windows.py
index 1456e33bd..02bb2afaf 100644
--- a/openmc/weight_windows.py
+++ b/openmc/weight_windows.py
@@ -413,14 +413,14 @@ class WeightWindows(IDManagerMixin):
         )
 
     @staticmethod
-    def wwinp(filename):
+    def wwinp(path):
         """
-        Returns the next value in the wwinp file.
+        Generator that returns the next value in a wwinp file.
 
-        filename : str or pathlib.Path
+        path : str or pathlib.Path
             Location of the wwinp file
         """
-        fh = open(filename, 'r')
+        fh = open(path, 'r')
 
         # read the first line of the file and
         # keep only the first four entries
@@ -445,8 +445,8 @@ class WeightWindows(IDManagerMixin):
                 yield value
 
     @classmethod
-    def from_wwinp(cls, filename):
-        """Reads a wwinp file into WeightWindowDomain's
+    def from_wwinp(cls, path):
+        """Creates WeightWindows classes from a wwinp file
 
         Parameters
         ----------
@@ -458,7 +458,7 @@ class WeightWindows(IDManagerMixin):
         list of openmc.WeightWindows
         """
         # create generator for getting the next parameter from the file
-        wwinp = WeightWindows.wwinp(filename)
+        wwinp = WeightWindows.wwinp(path)
 
         # first parameter, if, of wwinp file is unused
         next(wwinp)
@@ -467,45 +467,57 @@ class WeightWindows(IDManagerMixin):
         if int(float(next(wwinp))) > 1:
             raise ValueError('Time-dependent weight windows are not yet supported.')
 
-        # number of particles, ni
-        ni = int(float(next(wwinp)))
+        # number of particle types, ni
+        n_particle_types = int(float(next(wwinp)))
 
-        # read the mesh type, nr
-        nr = int(float(next(wwinp)))
+        # read an indicator of the mesh type.
+        # this will be 10 if a rectilinear mesh
+        # and 16 for cylindrical or spherical meshes
+        mesh_chars = int(float(next(wwinp)))
 
-        if nr != 10:
+        if mesh_chars != 10:
             # TODO: read the first entry by default and display a warning
-            raise ValueError('Cylindrical meshes are not currently supported')
+            raise ValueError('Cylindrical and Spherical meshes are not currently supported')
 
         # read the number of energy groups for each particle, ne
-        nes = [int(next(wwinp)) for _ in range(ni)]
+        n_egroups = [int(next(wwinp)) for _ in range(n_particle_types)]
 
-        if len(nes) == 1:
+        if len(n_egroups) == 1:
             particles = ['neutron']
-        elif len(nes) == 2:
+        elif len(n_egroups) == 2:
             particles = ['neutron', 'photon']
-        else:
+
+        if len(n_egroups) > 2:
             msg = ('More than two particle types are present. '
                    'Only neutron and photon weight windows will be read.')
-            raise warnings.warn(msg)
+            warnings.warn(msg)
 
-        # read number of fine mesh elements in each coarse
-        # element: nfx, nfy, nfz
-        nfx = int(float(next(wwinp)))
-        nfy = int(float(next(wwinp)))
-        nfz = int(float(next(wwinp)))
+        # read total number of fine mesh elements in each coarse
+        # element (nfx, nfy, nfz)
+        n_fine_x = int(float(next(wwinp)))
+        n_fine_y = int(float(next(wwinp)))
+        n_fine_z = int(float(next(wwinp)))
+        header_mesh_dims = (n_fine_x, n_fine_y, n_fine_z)
 
         # read the mesh origin: x0, y0, z0
         llc = tuple(float(next(wwinp)) for _ in range(3))
 
-        # read the number of coarse mesh elements, ncx, ncy, ncz
-        ncx = int(float(next(wwinp)))
-        ncy = int(float(next(wwinp)))
-        ncz = int(float(next(wwinp)))
+        # read the number of coarse mesh elements (ncx, ncy, ncz)
+        n_coarse_x = int(float(next(wwinp)))
+        n_coarse_y = int(float(next(wwinp)))
+        n_coarse_z = int(float(next(wwinp)))
 
         # skip the value defining the geometry type, nwg, we already know this
-        next(wwinp)
+        # 1 - rectilinear mesh
+        # 2 - cylindrical mesh
+        # 3 - spherical mesh
+        mesh_type = int(float(next(wwinp)))
 
+        if mesh_type != 1:
+            # TODO: support additional mesh types
+            raise ValueError('Cylindrical and Spherical meshes are not currently supported')
+
+        # internal function for parsing mesh coordinates
         def _read_mesh_coords(wwinp, n_coarse_bins):
             coords = [float(next(wwinp))]
 
@@ -523,9 +535,9 @@ class WeightWindows(IDManagerMixin):
 
         # read the coordinates for each dimension into a rectilinear mesh
         mesh = RectilinearMesh()
-        mesh.x_grid = _read_mesh_coords(wwinp, ncx)
-        mesh.y_grid = _read_mesh_coords(wwinp, ncy)
-        mesh.z_grid = _read_mesh_coords(wwinp, ncz)
+        mesh.x_grid = _read_mesh_coords(wwinp, n_coarse_x)
+        mesh.y_grid = _read_mesh_coords(wwinp, n_coarse_y)
+        mesh.z_grid = _read_mesh_coords(wwinp, n_coarse_z)
 
         dims = ('x', 'y', 'z')
         # check consistency of mesh coordinates
@@ -537,7 +549,7 @@ class WeightWindows(IDManagerMixin):
                 raise ValueError(msg.format(dim, mesh_val, header_val))
 
         mesh_dims = mesh.dimension
-        for dim, header_val, mesh_val in zip(dims, (nfx, nfy, nfz), mesh_dims):
+        for dim, header_val, mesh_val in zip(dims, header_mesh_dims, mesh_dims):
             if header_val != mesh_val:
                 msg = ('Total number of mesh elements read in the {} '
                        'direction ({}) is inconsistent with the '
@@ -545,10 +557,10 @@ class WeightWindows(IDManagerMixin):
                 raise ValueError(msg.format(dim, mesh_val, header_val))
 
         # total number of fine mesh elements, nft
-        nft = nfx * nfy * nfz
+        n_elements = n_fine_x * n_fine_y * n_fine_z
         # read energy bins and weight window values for each particle
         wws = []
-        for particle, ne in zip(particles, nes):
+        for particle, ne in zip(particles, n_egroups):
             # read energy
             e_groups = np.asarray([float(next(wwinp)) for _ in range(ne)])
 
@@ -556,9 +568,9 @@ class WeightWindows(IDManagerMixin):
             e_groups *= 1E6
 
             # create an array for weight window lower bounds
-            ww_lb = np.zeros((ne, nft))
+            ww_lb = np.zeros((ne, n_elements))
             for e in range(ne):
-                ww_lb[e, :] = [float(next(wwinp)) for _ in range(nft)]
+                ww_lb[e, :] = [float(next(wwinp)) for _ in range(n_elements)]
 
             settings = WeightWindows(id=None,
                                      mesh=mesh,

From 8a33d739e7300a42cf7999cd79baa50812ef147b Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 4 Mar 2022 10:58:19 -0600
Subject: [PATCH 0079/2654] More small adjustments to comments for clarity.
 Moving to normal method.

---
 openmc/weight_windows.py | 20 ++++++++++----------
 1 file changed, 10 insertions(+), 10 deletions(-)

diff --git a/openmc/weight_windows.py b/openmc/weight_windows.py
index 02bb2afaf..be319fcef 100644
--- a/openmc/weight_windows.py
+++ b/openmc/weight_windows.py
@@ -444,8 +444,7 @@ class WeightWindows(IDManagerMixin):
             for value in values:
                 yield value
 
-    @classmethod
-    def from_wwinp(cls, path):
+    def wws_from_wwinp(self, path):
         """Creates WeightWindows classes from a wwinp file
 
         Parameters
@@ -522,12 +521,12 @@ class WeightWindows(IDManagerMixin):
             coords = [float(next(wwinp))]
 
             for _ in range(n_coarse_bins):
-                # TODO: These are setup to read according to the MCNP5 format
-                sx = int(float(next(wwinp))) # number of fine mesh elements in between, sx
-                px = float(next(wwinp))  # value of next coordinate, px
-                qx = next(wwinp)  # this value is unused, qx
-                print(qx)
-
+                # number of fine mesh elements in this coarse element, sx
+                sx = int(float(next(wwinp)))
+                # value of next coordinate, px
+                px = float(next(wwinp))
+                # fine mesh ratio, qx, is currently unused
+                qx = next(wwinp)
                 # append the fine mesh coordinates for this coarse element
                 coords += list(np.linspace(coords[-1], px, sx + 1))[1:]
 
@@ -548,6 +547,7 @@ class WeightWindows(IDManagerMixin):
                        'the value read in block 1 of the wwinp file ({})')
                 raise ValueError(msg.format(dim, mesh_val, header_val))
 
+        # check totaly number of mesh elements in each direction
         mesh_dims = mesh.dimension
         for dim, header_val, mesh_val in zip(dims, header_mesh_dims, mesh_dims):
             if header_val != mesh_val:
@@ -561,8 +561,8 @@ class WeightWindows(IDManagerMixin):
         # read energy bins and weight window values for each particle
         wws = []
         for particle, ne in zip(particles, n_egroups):
-            # read energy
-            e_groups = np.asarray([float(next(wwinp)) for _ in range(ne)])
+            # read upper energy bounds
+            e_groups = np.asarray([0.0] + [float(next(wwinp)) for _ in range(ne)])
 
             # adjust energy from MeV to eV
             e_groups *= 1E6

From 8fc481e966a8b44a0382e282ddc434e4d5327864 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 4 Mar 2022 14:52:55 -0600
Subject: [PATCH 0080/2654] Making wwinp reader a file-level-function.
 Correcting order of ww vals

---
 openmc/weight_windows.py | 278 ++++++++++++++++++++-------------------
 1 file changed, 141 insertions(+), 137 deletions(-)

diff --git a/openmc/weight_windows.py b/openmc/weight_windows.py
index be319fcef..32acbf500 100644
--- a/openmc/weight_windows.py
+++ b/openmc/weight_windows.py
@@ -412,172 +412,176 @@ class WeightWindows(IDManagerMixin):
             id=id
         )
 
-    @staticmethod
-    def wwinp(path):
-        """
-        Generator that returns the next value in a wwinp file.
+def __wwinp_reader(path):
+    """
+    Generator that returns the next value in a wwinp file.
 
-        path : str or pathlib.Path
-            Location of the wwinp file
-        """
-        fh = open(path, 'r')
+    path : str or pathlib.Path
+        Location of the wwinp file
+    """
+    fh = open(path, 'r')
 
-        # read the first line of the file and
-        # keep only the first four entries
-        while(True):
-            line = next(fh)
-            if line and not line.startswith('c'):
-                break
+    # read the first line of the file and
+    # keep only the first four entries
+    while(True):
+        line = next(fh)
+        if line and not line.startswith('c'):
+            break
 
-        values = line.strip().split()[:4]
+    values = line.strip().split()[:4]
+    for value in values:
+        yield value
+
+    # the remainder of the file can be read as
+    # sequential values
+    while(True):
+        line = next(fh)
+        # skip empty or commented lines
+        if not line or line.startswith('c'):
+            continue
+        values = line.strip().split()
         for value in values:
             yield value
 
-        # the remainder of the file can be read as
-        # sequential values
-        while(True):
-            line = next(fh)
-            # skip empty or commented lines
-            if not line or line.startswith('c'):
-                continue
-            values = line.strip().split()
-            for value in values:
-                yield value
+def wwinp_to_wws(path):
+    """Creates WeightWindows classes from a wwinp file
 
-    def wws_from_wwinp(self, path):
-        """Creates WeightWindows classes from a wwinp file
+    Parameters
+    ----------
+    path : str
+        Path to the wwinp file.
 
-        Parameters
-        ----------
-        path : str
-            Path to the wwinp file.
+    Returns
+    -------
+    list of openmc.WeightWindows
+    """
+    # create generator for getting the next parameter from the file
+    wwinp = __wwinp_reader(path)
 
-        Returns
-        -------
-        list of openmc.WeightWindows
-        """
-        # create generator for getting the next parameter from the file
-        wwinp = WeightWindows.wwinp(path)
+    # first parameter, if, of wwinp file is unused
+    next(wwinp)
 
-        # first parameter, if, of wwinp file is unused
-        next(wwinp)
+    # check time parameter, iv
+    if int(float(next(wwinp))) > 1:
+        raise ValueError('Time-dependent weight windows are not yet supported.')
 
-        # check time parameter, iv
-        if int(float(next(wwinp))) > 1:
-            raise ValueError('Time-dependent weight windows are not yet supported.')
+    # number of particle types, ni
+    n_particle_types = int(float(next(wwinp)))
 
-        # number of particle types, ni
-        n_particle_types = int(float(next(wwinp)))
+    # read an indicator of the mesh type.
+    # this will be 10 if a rectilinear mesh
+    # and 16 for cylindrical or spherical meshes
+    mesh_chars = int(float(next(wwinp)))
 
-        # read an indicator of the mesh type.
-        # this will be 10 if a rectilinear mesh
-        # and 16 for cylindrical or spherical meshes
-        mesh_chars = int(float(next(wwinp)))
+    if mesh_chars != 10:
+        # TODO: read the first entry by default and display a warning
+        raise ValueError('Cylindrical and Spherical meshes are not currently supported')
 
-        if mesh_chars != 10:
-            # TODO: read the first entry by default and display a warning
-            raise ValueError('Cylindrical and Spherical meshes are not currently supported')
+    # read the number of energy groups for each particle, ne
+    n_egroups = [int(next(wwinp)) for _ in range(n_particle_types)]
 
-        # read the number of energy groups for each particle, ne
-        n_egroups = [int(next(wwinp)) for _ in range(n_particle_types)]
+    if len(n_egroups) == 1:
+        particles = ['neutron']
+    elif len(n_egroups) == 2:
+        particles = ['neutron', 'photon']
 
-        if len(n_egroups) == 1:
-            particles = ['neutron']
-        elif len(n_egroups) == 2:
-            particles = ['neutron', 'photon']
+    if len(n_egroups) > 2:
+        msg = ('More than two particle types are present. '
+                'Only neutron and photon weight windows will be read.')
+        warnings.warn(msg)
 
-        if len(n_egroups) > 2:
-            msg = ('More than two particle types are present. '
-                   'Only neutron and photon weight windows will be read.')
-            warnings.warn(msg)
+    # read total number of fine mesh elements in each coarse
+    # element (nfx, nfy, nfz)
+    n_fine_x = int(float(next(wwinp)))
+    n_fine_y = int(float(next(wwinp)))
+    n_fine_z = int(float(next(wwinp)))
+    header_mesh_dims = (n_fine_x, n_fine_y, n_fine_z)
 
-        # read total number of fine mesh elements in each coarse
-        # element (nfx, nfy, nfz)
-        n_fine_x = int(float(next(wwinp)))
-        n_fine_y = int(float(next(wwinp)))
-        n_fine_z = int(float(next(wwinp)))
-        header_mesh_dims = (n_fine_x, n_fine_y, n_fine_z)
+    # read the mesh origin: x0, y0, z0
+    llc = tuple(float(next(wwinp)) for _ in range(3))
 
-        # read the mesh origin: x0, y0, z0
-        llc = tuple(float(next(wwinp)) for _ in range(3))
+    # read the number of coarse mesh elements (ncx, ncy, ncz)
+    n_coarse_x = int(float(next(wwinp)))
+    n_coarse_y = int(float(next(wwinp)))
+    n_coarse_z = int(float(next(wwinp)))
 
-        # read the number of coarse mesh elements (ncx, ncy, ncz)
-        n_coarse_x = int(float(next(wwinp)))
-        n_coarse_y = int(float(next(wwinp)))
-        n_coarse_z = int(float(next(wwinp)))
+    # skip the value defining the geometry type, nwg, we already know this
+    # 1 - rectilinear mesh
+    # 2 - cylindrical mesh
+    # 3 - spherical mesh
+    mesh_type = int(float(next(wwinp)))
 
-        # skip the value defining the geometry type, nwg, we already know this
-        # 1 - rectilinear mesh
-        # 2 - cylindrical mesh
-        # 3 - spherical mesh
-        mesh_type = int(float(next(wwinp)))
+    if mesh_type != 1:
+        # TODO: support additional mesh types
+        raise ValueError('Cylindrical and Spherical meshes are not currently supported')
 
-        if mesh_type != 1:
-            # TODO: support additional mesh types
-            raise ValueError('Cylindrical and Spherical meshes are not currently supported')
+    # internal function for parsing mesh coordinates
+    def _read_mesh_coords(wwinp, n_coarse_bins):
+        coords = [float(next(wwinp))]
 
-        # internal function for parsing mesh coordinates
-        def _read_mesh_coords(wwinp, n_coarse_bins):
-            coords = [float(next(wwinp))]
+        for _ in range(n_coarse_bins):
+            # number of fine mesh elements in this coarse element, sx
+            sx = int(float(next(wwinp)))
+            # value of next coordinate, px
+            px = float(next(wwinp))
+            # fine mesh ratio, qx, is currently unused
+            qx = next(wwinp)
+            # append the fine mesh coordinates for this coarse element
+            coords += list(np.linspace(coords[-1], px, sx + 1))[1:]
 
-            for _ in range(n_coarse_bins):
-                # number of fine mesh elements in this coarse element, sx
-                sx = int(float(next(wwinp)))
-                # value of next coordinate, px
-                px = float(next(wwinp))
-                # fine mesh ratio, qx, is currently unused
-                qx = next(wwinp)
-                # append the fine mesh coordinates for this coarse element
-                coords += list(np.linspace(coords[-1], px, sx + 1))[1:]
+        return np.asarray(coords)
 
-            return np.asarray(coords)
+    # read the coordinates for each dimension into a rectilinear mesh
+    mesh = RectilinearMesh()
+    mesh.x_grid = _read_mesh_coords(wwinp, n_coarse_x)
+    mesh.y_grid = _read_mesh_coords(wwinp, n_coarse_y)
+    mesh.z_grid = _read_mesh_coords(wwinp, n_coarse_z)
 
-        # read the coordinates for each dimension into a rectilinear mesh
-        mesh = RectilinearMesh()
-        mesh.x_grid = _read_mesh_coords(wwinp, n_coarse_x)
-        mesh.y_grid = _read_mesh_coords(wwinp, n_coarse_y)
-        mesh.z_grid = _read_mesh_coords(wwinp, n_coarse_z)
+    dims = ('x', 'y', 'z')
+    # check consistency of mesh coordinates
+    mesh_llc = mesh_val = (mesh.x_grid[0], mesh.y_grid[0], mesh.z_grid[0])
+    for dim, header_val, mesh_val in zip(dims, llc, mesh_llc):
+        if header_val != mesh_val:
+            msg = ('The {} corner of the mesh ({}) does not match '
+                    'the value read in block 1 of the wwinp file ({})')
+            raise ValueError(msg.format(dim, mesh_val, header_val))
 
-        dims = ('x', 'y', 'z')
-        # check consistency of mesh coordinates
-        mesh_llc = mesh_val = (mesh.x_grid[0], mesh.y_grid[0], mesh.z_grid[0])
-        for dim, header_val, mesh_val in zip(dims, llc, mesh_llc):
-            if header_val != mesh_val:
-                msg = ('The {} corner of the mesh ({}) does not match '
-                       'the value read in block 1 of the wwinp file ({})')
-                raise ValueError(msg.format(dim, mesh_val, header_val))
+    # check totaly number of mesh elements in each direction
+    mesh_dims = mesh.dimension
+    for dim, header_val, mesh_val in zip(dims, header_mesh_dims, mesh_dims):
+        if header_val != mesh_val:
+            msg = ('Total number of mesh elements read in the {} '
+                    'direction ({}) is inconsistent with the '
+                    'number read in block 1 of the wwinp file ({})')
+            raise ValueError(msg.format(dim, mesh_val, header_val))
 
-        # check totaly number of mesh elements in each direction
-        mesh_dims = mesh.dimension
-        for dim, header_val, mesh_val in zip(dims, header_mesh_dims, mesh_dims):
-            if header_val != mesh_val:
-                msg = ('Total number of mesh elements read in the {} '
-                       'direction ({}) is inconsistent with the '
-                       'number read in block 1 of the wwinp file ({})')
-                raise ValueError(msg.format(dim, mesh_val, header_val))
+    # total number of fine mesh elements, nft
+    n_elements = n_fine_x * n_fine_y * n_fine_z
+    # read energy bins and weight window values for each particle
+    wws = []
+    for particle, ne in zip(particles, n_egroups):
+        # read upper energy bounds
+        # it is implied that zero is always the first bound in MCNP
+        e_groups = np.asarray([0.0] + [float(next(wwinp)) for _ in range(ne)])
 
-        # total number of fine mesh elements, nft
-        n_elements = n_fine_x * n_fine_y * n_fine_z
-        # read energy bins and weight window values for each particle
-        wws = []
-        for particle, ne in zip(particles, n_egroups):
-            # read upper energy bounds
-            e_groups = np.asarray([0.0] + [float(next(wwinp)) for _ in range(ne)])
+        # adjust energy from MeV to eV
+        e_groups *= 1E6
 
-            # adjust energy from MeV to eV
-            e_groups *= 1E6
+        # create an array for weight window lower bounds
+        ww_lb = np.zeros((ne, n_elements))
+        for e in range(ne):
+            ww_lb[e, :] = [float(next(wwinp)) for _ in range(n_elements)]
 
-            # create an array for weight window lower bounds
-            ww_lb = np.zeros((ne, n_elements))
-            for e in range(ne):
-                ww_lb[e, :] = [float(next(wwinp)) for _ in range(n_elements)]
+        # reorder weight window lower bounds
+        # MCNP ordering - 'zyx', with z changing fastest
+        # OpenMC ordering 'xyz', with x changing fastest
+        ww_lb = np.swapaxes(ww_lb, 1, 3)
+        settings = WeightWindows(id=None,
+                                    mesh=mesh,
+                                    lower_ww_bounds=ww_lb.flatten(),
+                                    upper_bound_ratio=5.0,
+                                    energy_bins=e_groups,
+                                    particle_type=particle)
+        wws.append(settings)
 
-            settings = WeightWindows(id=None,
-                                     mesh=mesh,
-                                     lower_ww_bounds=ww_lb.flatten(),
-                                     upper_bound_ratio=5.0,
-                                     energy_bins=e_groups,
-                                     particle_type=particle)
-            wws.append(settings)
-
-        return wws
\ No newline at end of file
+    return wws
\ No newline at end of file

From 74dd96b21dd2addb12506bb639e7c65a13a444b6 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 4 Mar 2022 16:55:59 -0600
Subject: [PATCH 0081/2654] Adding zero energy bound. Reshaping ww values as an
 extra check on sizing

---
 openmc/weight_windows.py | 18 ++++++++----------
 1 file changed, 8 insertions(+), 10 deletions(-)

diff --git a/openmc/weight_windows.py b/openmc/weight_windows.py
index 32acbf500..e3ea42fa2 100644
--- a/openmc/weight_windows.py
+++ b/openmc/weight_windows.py
@@ -562,25 +562,23 @@ def wwinp_to_wws(path):
     for particle, ne in zip(particles, n_egroups):
         # read upper energy bounds
         # it is implied that zero is always the first bound in MCNP
-        e_groups = np.asarray([0.0] + [float(next(wwinp)) for _ in range(ne)])
-
+        e_bounds = np.asarray([0.0] + [float(next(wwinp)) for _ in range(ne)])
         # adjust energy from MeV to eV
-        e_groups *= 1E6
+        e_bounds *= 1E6
 
         # create an array for weight window lower bounds
-        ww_lb = np.zeros((ne, n_elements))
+        ww_lb = np.zeros((ne, *mesh.dimension))
         for e in range(ne):
-            ww_lb[e, :] = [float(next(wwinp)) for _ in range(n_elements)]
+            # MCNP ordering for weight windows matches that of OpenMC
+            # ('xyz' with x changing fastest)
+            ww_vals = [float(next(wwinp)) for _ in range(n_elements)]
+            ww_lb[e, :] = np.asarray(ww_vals).reshape(mesh.dimension)
 
-        # reorder weight window lower bounds
-        # MCNP ordering - 'zyx', with z changing fastest
-        # OpenMC ordering 'xyz', with x changing fastest
-        ww_lb = np.swapaxes(ww_lb, 1, 3)
         settings = WeightWindows(id=None,
                                     mesh=mesh,
                                     lower_ww_bounds=ww_lb.flatten(),
                                     upper_bound_ratio=5.0,
-                                    energy_bins=e_groups,
+                                    energy_bins=e_bounds,
                                     particle_type=particle)
         wws.append(settings)
 

From 7abb11f7c45aa1cfc13e08838c35bed2826bbfad Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Wed, 9 Mar 2022 23:35:18 -0600
Subject: [PATCH 0082/2654] Adding wwinp test file for neutrons only

Adding wwinp reader test file

Updating tests for more test cases and adding readable labels

Fixes for iteration ordering, shape, and particles read

Updating weight window values of neutron-only file.

Adding neutron-photon and photon-only test files

Updates to wwinp file format. All can be read by MCNP.
---
 openmc/weight_windows.py                      |  31 ++-
 .../weightwindows/test_wwinp_reader.py        | 117 ++++++++
 tests/unit_tests/weightwindows/wwinp_n        | 263 ++++++++++++++++++
 tests/unit_tests/weightwindows/wwinp_np       |  48 ++++
 tests/unit_tests/weightwindows/wwinp_p        |  48 ++++
 5 files changed, 494 insertions(+), 13 deletions(-)
 create mode 100644 tests/unit_tests/weightwindows/test_wwinp_reader.py
 create mode 100644 tests/unit_tests/weightwindows/wwinp_n
 create mode 100644 tests/unit_tests/weightwindows/wwinp_np
 create mode 100644 tests/unit_tests/weightwindows/wwinp_p

diff --git a/openmc/weight_windows.py b/openmc/weight_windows.py
index e3ea42fa2..4dabe2a1f 100644
--- a/openmc/weight_windows.py
+++ b/openmc/weight_windows.py
@@ -480,12 +480,15 @@ def wwinp_to_wws(path):
     # read the number of energy groups for each particle, ne
     n_egroups = [int(next(wwinp)) for _ in range(n_particle_types)]
 
-    if len(n_egroups) == 1:
-        particles = ['neutron']
-    elif len(n_egroups) == 2:
-        particles = ['neutron', 'photon']
+    # order that supported particle types will appear in the file
+    particle_types = ['neutron', 'photon']
 
-    if len(n_egroups) > 2:
+    # add particle to list if at least one energy group is present
+    particles = [p for e, p in zip(n_egroups, particle_types) if e > 0]
+    # truncate list of energy groups if needed
+    n_egroups = [e for e in n_egroups if e > 0]
+
+    if n_particle_types > 2:
         msg = ('More than two particle types are present. '
                 'Only neutron and photon weight windows will be read.')
         warnings.warn(msg)
@@ -546,7 +549,7 @@ def wwinp_to_wws(path):
                     'the value read in block 1 of the wwinp file ({})')
             raise ValueError(msg.format(dim, mesh_val, header_val))
 
-    # check totaly number of mesh elements in each direction
+    # check total number of mesh elements in each direction
     mesh_dims = mesh.dimension
     for dim, header_val, mesh_val in zip(dims, header_mesh_dims, mesh_dims):
         if header_val != mesh_val:
@@ -567,13 +570,15 @@ def wwinp_to_wws(path):
         e_bounds *= 1E6
 
         # create an array for weight window lower bounds
-        ww_lb = np.zeros((ne, *mesh.dimension))
-        for e in range(ne):
-            # MCNP ordering for weight windows matches that of OpenMC
-            # ('xyz' with x changing fastest)
-            ww_vals = [float(next(wwinp)) for _ in range(n_elements)]
-            ww_lb[e, :] = np.asarray(ww_vals).reshape(mesh.dimension)
-
+        ww_lb = np.zeros((*mesh.dimension, ne))
+        for ijk in mesh.indices:
+            idx = tuple([v - 1 for v in ijk] + [slice(None)])
+            ww_lb[idx] = [float(next(wwinp)) for _ in range(ne)]
+        # for e in range(ne):
+        #     # MCNP ordering for weight windows matches that of OpenMC
+        #     # ('xyz' with x changing fastest)
+        #     ww_vals = [float(next(wwinp)) for _ in range(n_elements)]
+        #     ww_lb[e, :] = np.asarray(ww_vals).reshape(mesh.dimension)
         settings = WeightWindows(id=None,
                                     mesh=mesh,
                                     lower_ww_bounds=ww_lb.flatten(),
diff --git a/tests/unit_tests/weightwindows/test_wwinp_reader.py b/tests/unit_tests/weightwindows/test_wwinp_reader.py
new file mode 100644
index 000000000..910c0e912
--- /dev/null
+++ b/tests/unit_tests/weightwindows/test_wwinp_reader.py
@@ -0,0 +1,117 @@
+import numpy as np
+
+import openmc
+import pytest
+
+
+# check that we can successfully read wwinp files with the following contents:
+#
+#  - neutrons on a rectilinear mesh
+#  - neutrons and photons on a rectilinear mesh
+
+# check that the following raises the correct exceptions (for now):
+#
+#  - wwinp file with multiple time steps
+#  - wwinp file with cylindrical or spherical mesh
+
+
+# expected retults - neutron data only
+n_mesh = openmc.RectilinearMesh()
+n_mesh.x_grid = np.asarray([-100.0,
+                            -99.0,
+                            -97.0,
+                            -79.36364,
+                            -61.72727,
+                            -44.09091,
+                            -26.45455,
+                            -8.818182,
+                            8.818182,
+                            26.45455,
+                            44.09091,
+                            61.72727,
+                            79.36364,
+                            97.0,
+                            99.0,
+                            100])
+n_mesh.y_grid = np.asarray([-100.0,
+                            -50.0,
+                            -13.33333,
+                            23.33333,
+                            60.0,
+                            70.0,
+                            80.0,
+                            90.0,
+                            100.0])
+n_mesh.z_grid = np.asarray([-100.0,
+                            -66.66667,
+                            -33.33333,
+                            0.0,
+                            33.33333,
+                            66.66667,
+                            100.0])
+n_e_bounds = np.asarray([0.0,
+                         100000.0,
+                         146780.0])
+
+# expected results - neutron and photon data
+np_mesh = openmc.RectilinearMesh()
+np_mesh.x_grid = np.asarray([-100.0, 100.0])
+# y grid and z grid are the same as the previous mesh
+np_mesh.y_grid = n_mesh.y_grid
+np_mesh.z_grid = n_mesh.z_grid
+
+np_n_e_bounds = np.asarray([0.0, 100000.0, 146780.0, 215440.0])
+np_p_e_bounds = np.asarray([0.0, 1.0E8])
+
+# expected results - photon data only
+p_mesh = openmc.RectilinearMesh()
+# adopts z grid from previous meshes as its x grid
+p_mesh.x_grid = np_mesh.z_grid
+# uses the same y grid
+p_mesh.y_grid = np_mesh.y_grid
+p_mesh.z_grid = np.asarray([-50.0, 50.0])
+
+p_e_bounds = np.asarray([0.0, 100000.0, 146780.0, 215440.0, 316230.0])
+
+expected_results = [('wwinp_n', n_mesh, ('neutron',), (n_e_bounds,)),
+                    ('wwinp_np', np_mesh, ('neutron', 'photon'), (np_n_e_bounds, np_p_e_bounds)),
+                    ('wwinp_p', p_mesh, ('photon',), (p_e_bounds,))]
+
+def id_fn(params):
+    suffix = params[0].split('_')[-1]
+    if suffix == 'n':
+        return 'neutron-only'
+    elif suffix == 'np':
+        return 'neutron-photon'
+    elif suffix == 'p':
+        return 'photon-only'
+
+
+@pytest.mark.parametrize('wwinp_data', expected_results, ids=id_fn)
+def test_wwinp_reader(wwinp_data):
+    wwinp_file, mesh, particle_types, energy_bounds = wwinp_data
+
+    wws = openmc.wwinp_to_wws(wwinp_file)
+
+    for i, ww in enumerate(wws):
+        e_bounds = energy_bounds[i]
+        particle_type = particle_types[i]
+
+        assert ww.particle_type == particle_type
+
+        # check the mesh grid
+        # there will be some very small changes due to the number of digits
+        # provided in the wwinp format and the use of np.linspace to compute
+        # boundaries of the fine mesh intervals
+        np.testing.assert_allclose(mesh.x_grid, ww.mesh.x_grid, rtol=1e-6)
+        np.testing.assert_allclose(mesh.y_grid, ww.mesh.y_grid, rtol=1e-6)
+        np.testing.assert_allclose(mesh.z_grid, ww.mesh.z_grid, rtol=1e-6)
+
+        # check the energy bounds
+        np.testing.assert_array_equal(e_bounds, ww.energy_bins)
+
+        # check the expected weight window values mocked in the file --
+        # a reversed array of the flat index into the numpy array
+        n_wws = np.prod((*mesh.dimension, e_bounds.size - 1))
+        exp_ww_lb = np.linspace(1, n_wws, n_wws)[::-1]
+        np.testing.assert_array_equal(exp_ww_lb, ww.lower_ww_bounds)
diff --git a/tests/unit_tests/weightwindows/wwinp_n b/tests/unit_tests/weightwindows/wwinp_n
new file mode 100644
index 000000000..b9611e945
--- /dev/null
+++ b/tests/unit_tests/weightwindows/wwinp_n
@@ -0,0 +1,263 @@
+         1         1         1        10
+         2
+         15.0          8.0          6.0 -1.00000E+02 -1.00000E+02 -1.00000E+02
+         15.0          8.0          6.0          1.0
+ -1.00000E+02  1.00000E+00 -9.90000E+01  1.00000E+00  1.00000E+00 -9.70000E+01
+  1.00000E+00  1.00000E+00 -7.93636E+01  1.00000E+00  1.00000E+00 -6.17273E+01
+  1.00000E+00  1.00000E+00 -4.40909E+01  1.00000E+00  1.00000E+00 -2.64546E+01
+  1.00000E+00  1.00000E+00 -8.81818E+00  1.00000E+00  1.00000E+00  8.81818E+00
+  1.00000E+00  1.00000E+00  2.64546E+01  1.00000E+00  1.00000E+00  4.40909E+01
+  1.00000E+00  1.00000E+00  6.17273E+01  1.00000E+00  1.00000E+00  7.93636E+01
+  1.00000E+00  1.00000E+00  9.70000E+01  1.00000E+00  1.00000E+00  9.90000E+01
+  1.00000E+00  1.00000E+00  1.00000E+02  1.00000E+00
+ -1.00000E+02  1.00000E+00 -5.00000E+01  1.00000E+00  1.00000E+00 -1.33333E+01
+  1.00000E+00  1.00000E+00  2.33333E+01  1.00000E+00  1.00000E+00  6.00000E+01
+  1.00000E+00  1.00000E+00  7.00000E+01  1.00000E+00  1.00000E+00  8.00000E+01
+  1.00000E+00  1.00000E+00  9.00000E+01  1.00000E+00  1.00000E+00  1.00000E+02
+  1.00000E+00
+ -1.00000E+02  1.00000E+00 -6.66667E+01  1.00000E+00  1.00000E+00 -3.33333E+01
+  1.00000E+00  1.00000E+00  0.00000E+00  1.00000E+00  1.00000E+00  3.33333E+01
+  1.00000E+00  1.00000E+00  6.66667E+01  1.00000E+00  1.00000E+00  1.00000E+02
+  1.00000E+00
+  1.00000E-01  1.46780E-01
+  1.44000E+03  1.43900E+03  1.34400E+03  1.34300E+03  1.24800E+03  1.24700E+03
+  1.15200E+03  1.15100E+03  1.05600E+03  1.05500E+03  9.60000E+02  9.59000E+02
+  8.64000E+02  8.63000E+02  7.68000E+02  7.67000E+02  6.72000E+02  6.71000E+02
+  5.76000E+02  5.75000E+02  4.80000E+02  4.79000E+02  3.84000E+02  3.83000E+02
+  2.88000E+02  2.87000E+02  1.92000E+02  1.91000E+02  9.60000E+01  9.50000E+01
+  1.42800E+03  1.42700E+03  1.33200E+03  1.33100E+03  1.23600E+03  1.23500E+03
+  1.14000E+03  1.13900E+03  1.04400E+03  1.04300E+03  9.48000E+02  9.47000E+02
+  8.52000E+02  8.51000E+02  7.56000E+02  7.55000E+02  6.60000E+02  6.59000E+02
+  5.64000E+02  5.63000E+02  4.68000E+02  4.67000E+02  3.72000E+02  3.71000E+02
+  2.76000E+02  2.75000E+02  1.80000E+02  1.79000E+02  8.40000E+01  8.30000E+01
+  1.41600E+03  1.41500E+03  1.32000E+03  1.31900E+03  1.22400E+03  1.22300E+03
+  1.12800E+03  1.12700E+03  1.03200E+03  1.03100E+03  9.36000E+02  9.35000E+02
+  8.40000E+02  8.39000E+02  7.44000E+02  7.43000E+02  6.48000E+02  6.47000E+02
+  5.52000E+02  5.51000E+02  4.56000E+02  4.55000E+02  3.60000E+02  3.59000E+02
+  2.64000E+02  2.63000E+02  1.68000E+02  1.67000E+02  7.20000E+01  7.10000E+01
+  1.40400E+03  1.40300E+03  1.30800E+03  1.30700E+03  1.21200E+03  1.21100E+03
+  1.11600E+03  1.11500E+03  1.02000E+03  1.01900E+03  9.24000E+02  9.23000E+02
+  8.28000E+02  8.27000E+02  7.32000E+02  7.31000E+02  6.36000E+02  6.35000E+02
+  5.40000E+02  5.39000E+02  4.44000E+02  4.43000E+02  3.48000E+02  3.47000E+02
+  2.52000E+02  2.51000E+02  1.56000E+02  1.55000E+02  6.00000E+01  5.90000E+01
+  1.39200E+03  1.39100E+03  1.29600E+03  1.29500E+03  1.20000E+03  1.19900E+03
+  1.10400E+03  1.10300E+03  1.00800E+03  1.00700E+03  9.12000E+02  9.11000E+02
+  8.16000E+02  8.15000E+02  7.20000E+02  7.19000E+02  6.24000E+02  6.23000E+02
+  5.28000E+02  5.27000E+02  4.32000E+02  4.31000E+02  3.36000E+02  3.35000E+02
+  2.40000E+02  2.39000E+02  1.44000E+02  1.43000E+02  4.80000E+01  4.70000E+01
+  1.38000E+03  1.37900E+03  1.28400E+03  1.28300E+03  1.18800E+03  1.18700E+03
+  1.09200E+03  1.09100E+03  9.96000E+02  9.95000E+02  9.00000E+02  8.99000E+02
+  8.04000E+02  8.03000E+02  7.08000E+02  7.07000E+02  6.12000E+02  6.11000E+02
+  5.16000E+02  5.15000E+02  4.20000E+02  4.19000E+02  3.24000E+02  3.23000E+02
+  2.28000E+02  2.27000E+02  1.32000E+02  1.31000E+02  3.60000E+01  3.50000E+01
+  1.36800E+03  1.36700E+03  1.27200E+03  1.27100E+03  1.17600E+03  1.17500E+03
+  1.08000E+03  1.07900E+03  9.84000E+02  9.83000E+02  8.88000E+02  8.87000E+02
+  7.92000E+02  7.91000E+02  6.96000E+02  6.95000E+02  6.00000E+02  5.99000E+02
+  5.04000E+02  5.03000E+02  4.08000E+02  4.07000E+02  3.12000E+02  3.11000E+02
+  2.16000E+02  2.15000E+02  1.20000E+02  1.19000E+02  2.40000E+01  2.30000E+01
+  1.35600E+03  1.35500E+03  1.26000E+03  1.25900E+03  1.16400E+03  1.16300E+03
+  1.06800E+03  1.06700E+03  9.72000E+02  9.71000E+02  8.76000E+02  8.75000E+02
+  7.80000E+02  7.79000E+02  6.84000E+02  6.83000E+02  5.88000E+02  5.87000E+02
+  4.92000E+02  4.91000E+02  3.96000E+02  3.95000E+02  3.00000E+02  2.99000E+02
+  2.04000E+02  2.03000E+02  1.08000E+02  1.07000E+02  1.20000E+01  1.10000E+01
+  1.43800E+03  1.43700E+03  1.34200E+03  1.34100E+03  1.24600E+03  1.24500E+03
+  1.15000E+03  1.14900E+03  1.05400E+03  1.05300E+03  9.58000E+02  9.57000E+02
+  8.62000E+02  8.61000E+02  7.66000E+02  7.65000E+02  6.70000E+02  6.69000E+02
+  5.74000E+02  5.73000E+02  4.78000E+02  4.77000E+02  3.82000E+02  3.81000E+02
+  2.86000E+02  2.85000E+02  1.90000E+02  1.89000E+02  9.40000E+01  9.30000E+01
+  1.42600E+03  1.42500E+03  1.33000E+03  1.32900E+03  1.23400E+03  1.23300E+03
+  1.13800E+03  1.13700E+03  1.04200E+03  1.04100E+03  9.46000E+02  9.45000E+02
+  8.50000E+02  8.49000E+02  7.54000E+02  7.53000E+02  6.58000E+02  6.57000E+02
+  5.62000E+02  5.61000E+02  4.66000E+02  4.65000E+02  3.70000E+02  3.69000E+02
+  2.74000E+02  2.73000E+02  1.78000E+02  1.77000E+02  8.20000E+01  8.10000E+01
+  1.41400E+03  1.41300E+03  1.31800E+03  1.31700E+03  1.22200E+03  1.22100E+03
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+  8.30000E+02  8.29000E+02  7.34000E+02  7.33000E+02  6.38000E+02  6.37000E+02
+  5.42000E+02  5.41000E+02  4.46000E+02  4.45000E+02  3.50000E+02  3.49000E+02
+  2.54000E+02  2.53000E+02  1.58000E+02  1.57000E+02  6.20000E+01  6.10000E+01
+  1.39400E+03  1.39300E+03  1.29800E+03  1.29700E+03  1.20200E+03  1.20100E+03
+  1.10600E+03  1.10500E+03  1.01000E+03  1.00900E+03  9.14000E+02  9.13000E+02
+  8.18000E+02  8.17000E+02  7.22000E+02  7.21000E+02  6.26000E+02  6.25000E+02
+  5.30000E+02  5.29000E+02  4.34000E+02  4.33000E+02  3.38000E+02  3.37000E+02
+  2.42000E+02  2.41000E+02  1.46000E+02  1.45000E+02  5.00000E+01  4.90000E+01
+  1.38200E+03  1.38100E+03  1.28600E+03  1.28500E+03  1.19000E+03  1.18900E+03
+  1.09400E+03  1.09300E+03  9.98000E+02  9.97000E+02  9.02000E+02  9.01000E+02
+  8.06000E+02  8.05000E+02  7.10000E+02  7.09000E+02  6.14000E+02  6.13000E+02
+  5.18000E+02  5.17000E+02  4.22000E+02  4.21000E+02  3.26000E+02  3.25000E+02
+  2.30000E+02  2.29000E+02  1.34000E+02  1.33000E+02  3.80000E+01  3.70000E+01
+  1.37000E+03  1.36900E+03  1.27400E+03  1.27300E+03  1.17800E+03  1.17700E+03
+  1.08200E+03  1.08100E+03  9.86000E+02  9.85000E+02  8.90000E+02  8.89000E+02
+  7.94000E+02  7.93000E+02  6.98000E+02  6.97000E+02  6.02000E+02  6.01000E+02
+  5.06000E+02  5.05000E+02  4.10000E+02  4.09000E+02  3.14000E+02  3.13000E+02
+  2.18000E+02  2.17000E+02  1.22000E+02  1.21000E+02  2.60000E+01  2.50000E+01
+  1.35800E+03  1.35700E+03  1.26200E+03  1.26100E+03  1.16600E+03  1.16500E+03
+  1.07000E+03  1.06900E+03  9.74000E+02  9.73000E+02  8.78000E+02  8.77000E+02
+  7.82000E+02  7.81000E+02  6.86000E+02  6.85000E+02  5.90000E+02  5.89000E+02
+  4.94000E+02  4.93000E+02  3.98000E+02  3.97000E+02  3.02000E+02  3.01000E+02
+  2.06000E+02  2.05000E+02  1.10000E+02  1.09000E+02  1.40000E+01  1.30000E+01
+  1.34600E+03  1.34500E+03  1.25000E+03  1.24900E+03  1.15400E+03  1.15300E+03
+  1.05800E+03  1.05700E+03  9.62000E+02  9.61000E+02  8.66000E+02  8.65000E+02
+  7.70000E+02  7.69000E+02  6.74000E+02  6.73000E+02  5.78000E+02  5.77000E+02
+  4.82000E+02  4.81000E+02  3.86000E+02  3.85000E+02  2.90000E+02  2.89000E+02
+  1.94000E+02  1.93000E+02  9.80000E+01  9.70000E+01  2.00000E+00  1.00000E+00
+
diff --git a/tests/unit_tests/weightwindows/wwinp_np b/tests/unit_tests/weightwindows/wwinp_np
new file mode 100644
index 000000000..6d77afc3e
--- /dev/null
+++ b/tests/unit_tests/weightwindows/wwinp_np
@@ -0,0 +1,48 @@
+         1         1         2        10
+         3         1
+          1.0          8.0          6.0 -1.00000E+02 -1.00000E+02 -1.00000E+02
+          1.0          8.0          6.0          1.0
+ -1.00000E+02  1.00000E+00  1.00000E+02  1.00000E+00
+ -1.00000E+02  1.00000E+00 -5.00000E+01  1.00000E+00  1.00000E+00 -1.33333E+01
+  1.00000E+00  1.00000E+00  2.33333E+01  1.00000E+00  1.00000E+00  6.00000E+01
+  1.00000E+00  1.00000E+00  7.00000E+01  1.00000E+00  1.00000E+00  8.00000E+01
+  1.00000E+00  1.00000E+00  9.00000E+01  1.00000E+00  1.00000E+00  1.00000E+02
+  1.00000E+00
+ -1.00000E+02  1.00000E+00 -6.66667E+01  1.00000E+00  1.00000E+00 -3.33333E+01
+  1.00000E+00  1.00000E+00  0.00000E+00  1.00000E+00  1.00000E+00  3.33333E+01
+  1.00000E+00  1.00000E+00  6.66667E+01  1.00000E+00  1.00000E+00  1.00000E+02
+  1.00000E+00
+  1.00000E-01  1.46780E-01  2.15440E-01
+  1.44000E+02  1.43000E+02  1.42000E+02  1.26000E+02  1.25000E+02  1.24000E+02
+  1.08000E+02  1.07000E+02  1.06000E+02  9.00000E+01  8.90000E+01  8.80000E+01
+  7.20000E+01  7.10000E+01  7.00000E+01  5.40000E+01  5.30000E+01  5.20000E+01
+  3.60000E+01  3.50000E+01  3.40000E+01  1.80000E+01  1.70000E+01  1.60000E+01
+  1.41000E+02  1.40000E+02  1.39000E+02  1.23000E+02  1.22000E+02  1.21000E+02
+  1.05000E+02  1.04000E+02  1.03000E+02  8.70000E+01  8.60000E+01  8.50000E+01
+  6.90000E+01  6.80000E+01  6.70000E+01  5.10000E+01  5.00000E+01  4.90000E+01
+  3.30000E+01  3.20000E+01  3.10000E+01  1.50000E+01  1.40000E+01  1.30000E+01
+  1.38000E+02  1.37000E+02  1.36000E+02  1.20000E+02  1.19000E+02  1.18000E+02
+  1.02000E+02  1.01000E+02  1.00000E+02  8.40000E+01  8.30000E+01  8.20000E+01
+  6.60000E+01  6.50000E+01  6.40000E+01  4.80000E+01  4.70000E+01  4.60000E+01
+  3.00000E+01  2.90000E+01  2.80000E+01  1.20000E+01  1.10000E+01  1.00000E+01
+  1.35000E+02  1.34000E+02  1.33000E+02  1.17000E+02  1.16000E+02  1.15000E+02
+  9.90000E+01  9.80000E+01  9.70000E+01  8.10000E+01  8.00000E+01  7.90000E+01
+  6.30000E+01  6.20000E+01  6.10000E+01  4.50000E+01  4.40000E+01  4.30000E+01
+  2.70000E+01  2.60000E+01  2.50000E+01  9.00000E+00  8.00000E+00  7.00000E+00
+  1.32000E+02  1.31000E+02  1.30000E+02  1.14000E+02  1.13000E+02  1.12000E+02
+  9.60000E+01  9.50000E+01  9.40000E+01  7.80000E+01  7.70000E+01  7.60000E+01
+  6.00000E+01  5.90000E+01  5.80000E+01  4.20000E+01  4.10000E+01  4.00000E+01
+  2.40000E+01  2.30000E+01  2.20000E+01  6.00000E+00  5.00000E+00  4.00000E+00
+  1.29000E+02  1.28000E+02  1.27000E+02  1.11000E+02  1.10000E+02  1.09000E+02
+  9.30000E+01  9.20000E+01  9.10000E+01  7.50000E+01  7.40000E+01  7.30000E+01
+  5.70000E+01  5.60000E+01  5.50000E+01  3.90000E+01  3.80000E+01  3.70000E+01
+  2.10000E+01  2.00000E+01  1.90000E+01  3.00000E+00  2.00000E+00  1.00000E+00
+  1.00000E+02
+  4.80000E+01  4.20000E+01  3.60000E+01  3.00000E+01  2.40000E+01  1.80000E+01
+  1.20000E+01  6.00000E+00  4.70000E+01  4.10000E+01  3.50000E+01  2.90000E+01
+  2.30000E+01  1.70000E+01  1.10000E+01  5.00000E+00  4.60000E+01  4.00000E+01
+  3.40000E+01  2.80000E+01  2.20000E+01  1.60000E+01  1.00000E+01  4.00000E+00
+  4.50000E+01  3.90000E+01  3.30000E+01  2.70000E+01  2.10000E+01  1.50000E+01
+  9.00000E+00  3.00000E+00  4.40000E+01  3.80000E+01  3.20000E+01  2.60000E+01
+  2.00000E+01  1.40000E+01  8.00000E+00  2.00000E+00  4.30000E+01  3.70000E+01
+  3.10000E+01  2.50000E+01  1.90000E+01  1.30000E+01  7.00000E+00  1.00000E+00
diff --git a/tests/unit_tests/weightwindows/wwinp_p b/tests/unit_tests/weightwindows/wwinp_p
new file mode 100644
index 000000000..95315692f
--- /dev/null
+++ b/tests/unit_tests/weightwindows/wwinp_p
@@ -0,0 +1,48 @@
+         1         1         2        10
+         0         4
+          6.0          8.0          1.0 -1.00000E+02 -1.00000E+02 -5.00000E+01
+          6.0          8.0          1.0          1.0
+ -1.00000E+02  1.00000E+00 -6.66667E+01  1.00000E+00  1.00000E+00 -3.33333E+01
+  1.00000E+00  1.00000E+00  0.00000E+00  1.00000E+00  1.00000E+00  3.33333E+01
+  1.00000E+00  1.00000E+00  6.66667E+01  1.00000E+00  1.00000E+00  1.00000E+02
+  1.00000E+00
+ -1.00000E+02  1.00000E+00 -5.00000E+01  1.00000E+00  1.00000E+00 -1.33333E+01
+  1.00000E+00  1.00000E+00  2.33333E+01  1.00000E+00  1.00000E+00  6.00000E+01
+  1.00000E+00  1.00000E+00  7.00000E+01  1.00000E+00  1.00000E+00  8.00000E+01
+  1.00000E+00  1.00000E+00  9.00000E+01  1.00000E+00  1.00000E+00  1.00000E+02
+  1.00000E+00
+ -5.00000E+01  1.00000E+00  5.00000E+01  1.00000E+00
+  1.00000E-01  1.46780E-01  2.15440E-01  3.16230E-01
+  1.92000E+02  1.91000E+02  1.90000E+02  1.89000E+02  1.60000E+02  1.59000E+02
+  1.58000E+02  1.57000E+02  1.28000E+02  1.27000E+02  1.26000E+02  1.25000E+02
+  9.60000E+01  9.50000E+01  9.40000E+01  9.30000E+01  6.40000E+01  6.30000E+01
+  6.20000E+01  6.10000E+01  3.20000E+01  3.10000E+01  3.00000E+01  2.90000E+01
+  1.88000E+02  1.87000E+02  1.86000E+02  1.85000E+02  1.56000E+02  1.55000E+02
+  1.54000E+02  1.53000E+02  1.24000E+02  1.23000E+02  1.22000E+02  1.21000E+02
+  9.20000E+01  9.10000E+01  9.00000E+01  8.90000E+01  6.00000E+01  5.90000E+01
+  5.80000E+01  5.70000E+01  2.80000E+01  2.70000E+01  2.60000E+01  2.50000E+01
+  1.84000E+02  1.83000E+02  1.82000E+02  1.81000E+02  1.52000E+02  1.51000E+02
+  1.50000E+02  1.49000E+02  1.20000E+02  1.19000E+02  1.18000E+02  1.17000E+02
+  8.80000E+01  8.70000E+01  8.60000E+01  8.50000E+01  5.60000E+01  5.50000E+01
+  5.40000E+01  5.30000E+01  2.40000E+01  2.30000E+01  2.20000E+01  2.10000E+01
+  1.80000E+02  1.79000E+02  1.78000E+02  1.77000E+02  1.48000E+02  1.47000E+02
+  1.46000E+02  1.45000E+02  1.16000E+02  1.15000E+02  1.14000E+02  1.13000E+02
+  8.40000E+01  8.30000E+01  8.20000E+01  8.10000E+01  5.20000E+01  5.10000E+01
+  5.00000E+01  4.90000E+01  2.00000E+01  1.90000E+01  1.80000E+01  1.70000E+01
+  1.76000E+02  1.75000E+02  1.74000E+02  1.73000E+02  1.44000E+02  1.43000E+02
+  1.42000E+02  1.41000E+02  1.12000E+02  1.11000E+02  1.10000E+02  1.09000E+02
+  8.00000E+01  7.90000E+01  7.80000E+01  7.70000E+01  4.80000E+01  4.70000E+01
+  4.60000E+01  4.50000E+01  1.60000E+01  1.50000E+01  1.40000E+01  1.30000E+01
+  1.72000E+02  1.71000E+02  1.70000E+02  1.69000E+02  1.40000E+02  1.39000E+02
+  1.38000E+02  1.37000E+02  1.08000E+02  1.07000E+02  1.06000E+02  1.05000E+02
+  7.60000E+01  7.50000E+01  7.40000E+01  7.30000E+01  4.40000E+01  4.30000E+01
+  4.20000E+01  4.10000E+01  1.20000E+01  1.10000E+01  1.00000E+01  9.00000E+00
+  1.68000E+02  1.67000E+02  1.66000E+02  1.65000E+02  1.36000E+02  1.35000E+02
+  1.34000E+02  1.33000E+02  1.04000E+02  1.03000E+02  1.02000E+02  1.01000E+02
+  7.20000E+01  7.10000E+01  7.00000E+01  6.90000E+01  4.00000E+01  3.90000E+01
+  3.80000E+01  3.70000E+01  8.00000E+00  7.00000E+00  6.00000E+00  5.00000E+00
+  1.64000E+02  1.63000E+02  1.62000E+02  1.61000E+02  1.32000E+02  1.31000E+02
+  1.30000E+02  1.29000E+02  1.00000E+02  9.90000E+01  9.80000E+01  9.70000E+01
+  6.80000E+01  6.70000E+01  6.60000E+01  6.50000E+01  3.60000E+01  3.50000E+01
+  3.40000E+01  3.30000E+01  4.00000E+00  3.00000E+00  2.00000E+00  1.00000E+00
+

From 7b8bc4ae9041c55c97f6295581be6f2a40f984d5 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 10 Mar 2022 15:20:40 -0600
Subject: [PATCH 0083/2654] Updating comments

---
 openmc/weight_windows.py | 23 +++++++++++------------
 1 file changed, 11 insertions(+), 12 deletions(-)

diff --git a/openmc/weight_windows.py b/openmc/weight_windows.py
index 4dabe2a1f..197a01eb7 100644
--- a/openmc/weight_windows.py
+++ b/openmc/weight_windows.py
@@ -570,21 +570,20 @@ def wwinp_to_wws(path):
         e_bounds *= 1E6
 
         # create an array for weight window lower bounds
+        #     # MCNP ordering for weight windows matches that of OpenMC
+        #     # ('xyz' with x changing fastest)
         ww_lb = np.zeros((*mesh.dimension, ne))
         for ijk in mesh.indices:
             idx = tuple([v - 1 for v in ijk] + [slice(None)])
             ww_lb[idx] = [float(next(wwinp)) for _ in range(ne)]
-        # for e in range(ne):
-        #     # MCNP ordering for weight windows matches that of OpenMC
-        #     # ('xyz' with x changing fastest)
-        #     ww_vals = [float(next(wwinp)) for _ in range(n_elements)]
-        #     ww_lb[e, :] = np.asarray(ww_vals).reshape(mesh.dimension)
-        settings = WeightWindows(id=None,
-                                    mesh=mesh,
-                                    lower_ww_bounds=ww_lb.flatten(),
-                                    upper_bound_ratio=5.0,
-                                    energy_bins=e_bounds,
-                                    particle_type=particle)
-        wws.append(settings)
+
+        # create a WeightWindows object and add it to the output list
+        ww = WeightWindows(id=None,
+                           mesh=mesh,
+                           lower_ww_bounds=ww_lb.flatten(),
+                           upper_bound_ratio=5.0,
+                           energy_bins=e_bounds,
+                           particle_type=particle)
+        wws.append(ww)
 
     return wws
\ No newline at end of file

From fe6920afb146d704c29d4695a16381e1d4ca3205 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 11 Mar 2022 09:13:22 -0600
Subject: [PATCH 0084/2654] Updates to mesh boundaries for MCNP compliant
 format in test files

---
 .../weightwindows/test_wwinp_reader.py        | 32 +++++++++----------
 1 file changed, 16 insertions(+), 16 deletions(-)

diff --git a/tests/unit_tests/weightwindows/test_wwinp_reader.py b/tests/unit_tests/weightwindows/test_wwinp_reader.py
index 910c0e912..666c332ec 100644
--- a/tests/unit_tests/weightwindows/test_wwinp_reader.py
+++ b/tests/unit_tests/weightwindows/test_wwinp_reader.py
@@ -20,34 +20,34 @@ n_mesh = openmc.RectilinearMesh()
 n_mesh.x_grid = np.asarray([-100.0,
                             -99.0,
                             -97.0,
-                            -79.36364,
-                            -61.72727,
-                            -44.09091,
-                            -26.45455,
-                            -8.818182,
-                            8.818182,
-                            26.45455,
-                            44.09091,
-                            61.72727,
-                            79.36364,
+                            -79.3636,
+                            -61.7273,
+                            -44.0909,
+                            -26.4546,
+                            -8.81818,
+                            8.81818,
+                            26.4546,
+                            44.0909,
+                            61.7273,
+                            79.3636,
                             97.0,
                             99.0,
                             100])
 n_mesh.y_grid = np.asarray([-100.0,
                             -50.0,
-                            -13.33333,
-                            23.33333,
+                            -13.3333,
+                            23.3333,
                             60.0,
                             70.0,
                             80.0,
                             90.0,
                             100.0])
 n_mesh.z_grid = np.asarray([-100.0,
-                            -66.66667,
-                            -33.33333,
+                            -66.6667,
+                            -33.3333,
                             0.0,
-                            33.33333,
-                            66.66667,
+                            33.3333,
+                            66.6667,
                             100.0])
 n_e_bounds = np.asarray([0.0,
                          100000.0,

From 7ed72b73fa959f0f614d7cf6e6bd9a66dae87ead Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 11 Mar 2022 09:21:23 -0600
Subject: [PATCH 0085/2654] PEP8 updates for test file

---
 .../weightwindows/test_wwinp_reader.py        | 20 +++++++++++--------
 1 file changed, 12 insertions(+), 8 deletions(-)

diff --git a/tests/unit_tests/weightwindows/test_wwinp_reader.py b/tests/unit_tests/weightwindows/test_wwinp_reader.py
index 666c332ec..faf29e60d 100644
--- a/tests/unit_tests/weightwindows/test_wwinp_reader.py
+++ b/tests/unit_tests/weightwindows/test_wwinp_reader.py
@@ -49,9 +49,10 @@ n_mesh.z_grid = np.asarray([-100.0,
                             33.3333,
                             66.6667,
                             100.0])
-n_e_bounds = np.asarray([0.0,
+n_e_bounds = (np.asarray([0.0,
                          100000.0,
-                         146780.0])
+                         146780.0]),)
+n_particles = ('neutron',)
 
 # expected results - neutron and photon data
 np_mesh = openmc.RectilinearMesh()
@@ -60,8 +61,9 @@ np_mesh.x_grid = np.asarray([-100.0, 100.0])
 np_mesh.y_grid = n_mesh.y_grid
 np_mesh.z_grid = n_mesh.z_grid
 
-np_n_e_bounds = np.asarray([0.0, 100000.0, 146780.0, 215440.0])
-np_p_e_bounds = np.asarray([0.0, 1.0E8])
+np_e_bounds = (np.asarray([0.0, 100000.0, 146780.0, 215440.0]),
+               np.asarray([0.0, 1.0E8]))
+np_particles = ('neutron', 'photon')
 
 # expected results - photon data only
 p_mesh = openmc.RectilinearMesh()
@@ -71,11 +73,13 @@ p_mesh.x_grid = np_mesh.z_grid
 p_mesh.y_grid = np_mesh.y_grid
 p_mesh.z_grid = np.asarray([-50.0, 50.0])
 
-p_e_bounds = np.asarray([0.0, 100000.0, 146780.0, 215440.0, 316230.0])
+p_e_bounds = (np.asarray([0.0, 100000.0, 146780.0, 215440.0, 316230.0]),)
+p_particles = ('photon',)
+
+expected_results = [('wwinp_n', n_mesh, n_particles, n_e_bounds),
+                    ('wwinp_np', np_mesh, np_particles, np_e_bounds),
+                    ('wwinp_p', p_mesh, p_particles, p_e_bounds)]
 
-expected_results = [('wwinp_n', n_mesh, ('neutron',), (n_e_bounds,)),
-                    ('wwinp_np', np_mesh, ('neutron', 'photon'), (np_n_e_bounds, np_p_e_bounds)),
-                    ('wwinp_p', p_mesh, ('photon',), (p_e_bounds,))]
 
 def id_fn(params):
     suffix = params[0].split('_')[-1]

From 3301c50d0ee3c5a2ce9dc8c52be8ad83eafe7fae Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 11 Mar 2022 09:23:27 -0600
Subject: [PATCH 0086/2654] PEP8 updates for weight_windows module

---
 openmc/weight_windows.py | 16 +++++++++-------
 1 file changed, 9 insertions(+), 7 deletions(-)

diff --git a/openmc/weight_windows.py b/openmc/weight_windows.py
index 197a01eb7..f878f618b 100644
--- a/openmc/weight_windows.py
+++ b/openmc/weight_windows.py
@@ -463,7 +463,8 @@ def wwinp_to_wws(path):
 
     # check time parameter, iv
     if int(float(next(wwinp))) > 1:
-        raise ValueError('Time-dependent weight windows are not yet supported.')
+        raise ValueError('Time-dependent weight windows '
+                         'are not yet supported.')
 
     # number of particle types, ni
     n_particle_types = int(float(next(wwinp)))
@@ -475,7 +476,8 @@ def wwinp_to_wws(path):
 
     if mesh_chars != 10:
         # TODO: read the first entry by default and display a warning
-        raise ValueError('Cylindrical and Spherical meshes are not currently supported')
+        raise ValueError('Cylindrical and Spherical meshes '
+                         'are not currently supported')
 
     # read the number of energy groups for each particle, ne
     n_egroups = [int(next(wwinp)) for _ in range(n_particle_types)]
@@ -490,7 +492,7 @@ def wwinp_to_wws(path):
 
     if n_particle_types > 2:
         msg = ('More than two particle types are present. '
-                'Only neutron and photon weight windows will be read.')
+               'Only neutron and photon weight windows will be read.')
         warnings.warn(msg)
 
     # read total number of fine mesh elements in each coarse
@@ -546,7 +548,7 @@ def wwinp_to_wws(path):
     for dim, header_val, mesh_val in zip(dims, llc, mesh_llc):
         if header_val != mesh_val:
             msg = ('The {} corner of the mesh ({}) does not match '
-                    'the value read in block 1 of the wwinp file ({})')
+                   'the value read in block 1 of the wwinp file ({})')
             raise ValueError(msg.format(dim, mesh_val, header_val))
 
     # check total number of mesh elements in each direction
@@ -554,8 +556,8 @@ def wwinp_to_wws(path):
     for dim, header_val, mesh_val in zip(dims, header_mesh_dims, mesh_dims):
         if header_val != mesh_val:
             msg = ('Total number of mesh elements read in the {} '
-                    'direction ({}) is inconsistent with the '
-                    'number read in block 1 of the wwinp file ({})')
+                   'direction ({}) is inconsistent with the '
+                   'number read in block 1 of the wwinp file ({})')
             raise ValueError(msg.format(dim, mesh_val, header_val))
 
     # total number of fine mesh elements, nft
@@ -586,4 +588,4 @@ def wwinp_to_wws(path):
                            particle_type=particle)
         wws.append(ww)
 
-    return wws
\ No newline at end of file
+    return wws

From 4a0f32fc234099523eb0c2d425b0f34a4613937f Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 11 Mar 2022 09:28:07 -0600
Subject: [PATCH 0087/2654] Fixing ordering comment

---
 openmc/weight_windows.py | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/openmc/weight_windows.py b/openmc/weight_windows.py
index f878f618b..024637e93 100644
--- a/openmc/weight_windows.py
+++ b/openmc/weight_windows.py
@@ -572,10 +572,10 @@ def wwinp_to_wws(path):
         e_bounds *= 1E6
 
         # create an array for weight window lower bounds
-        #     # MCNP ordering for weight windows matches that of OpenMC
-        #     # ('xyz' with x changing fastest)
         ww_lb = np.zeros((*mesh.dimension, ne))
         for ijk in mesh.indices:
+            # MCNP ordering for weight windows matches that of OpenMC
+            # ('xyz' with x changing fastest)
             idx = tuple([v - 1 for v in ijk] + [slice(None)])
             ww_lb[idx] = [float(next(wwinp)) for _ in range(ne)]
 

From 6ddce789877b62dffb6c5ddd577bfcb5037dc9a3 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 11 Mar 2022 09:42:53 -0600
Subject: [PATCH 0088/2654] Adding test files for time-dependent and
 cylindrical mesh weight windows

---
 tests/unit_tests/weightwindows/wwinp_cyl | 47 ++++++++++++++++++++++++
 tests/unit_tests/weightwindows/wwinp_t   | 47 ++++++++++++++++++++++++
 2 files changed, 94 insertions(+)
 create mode 100644 tests/unit_tests/weightwindows/wwinp_cyl
 create mode 100644 tests/unit_tests/weightwindows/wwinp_t

diff --git a/tests/unit_tests/weightwindows/wwinp_cyl b/tests/unit_tests/weightwindows/wwinp_cyl
new file mode 100644
index 000000000..391e4bcf6
--- /dev/null
+++ b/tests/unit_tests/weightwindows/wwinp_cyl
@@ -0,0 +1,47 @@
+         1         1         2        16
+         0         4
+          6.0          8.0          1.0 -1.00000E+02 -1.00000E+02 -5.00000E+01
+          6.0          8.0          1.0          1.0
+ -1.00000E+02  1.00000E+00 -6.66667E+01  1.00000E+00  1.00000E+00 -3.33333E+01
+  1.00000E+00  1.00000E+00  0.00000E+00  1.00000E+00  1.00000E+00  3.33333E+01
+  1.00000E+00  1.00000E+00  6.66667E+01  1.00000E+00  1.00000E+00  1.00000E+02
+  1.00000E+00
+ -1.00000E+02  1.00000E+00 -5.00000E+01  1.00000E+00  1.00000E+00 -1.33333E+01
+  1.00000E+00  1.00000E+00  2.33333E+01  1.00000E+00  1.00000E+00  6.00000E+01
+  1.00000E+00  1.00000E+00  7.00000E+01  1.00000E+00  1.00000E+00  8.00000E+01
+  1.00000E+00  1.00000E+00  9.00000E+01  1.00000E+00  1.00000E+00  1.00000E+02
+  1.00000E+00
+ -5.00000E+01  1.00000E+00  5.00000E+01  1.00000E+00
+  1.00000E-01  1.46780E-01  2.15440E-01  3.16230E-01
+  1.92000E+02  1.91000E+02  1.90000E+02  1.89000E+02  1.60000E+02  1.59000E+02
+  1.58000E+02  1.57000E+02  1.28000E+02  1.27000E+02  1.26000E+02  1.25000E+02
+  9.60000E+01  9.50000E+01  9.40000E+01  9.30000E+01  6.40000E+01  6.30000E+01
+  6.20000E+01  6.10000E+01  3.20000E+01  3.10000E+01  3.00000E+01  2.90000E+01
+  1.88000E+02  1.87000E+02  1.86000E+02  1.85000E+02  1.56000E+02  1.55000E+02
+  1.54000E+02  1.53000E+02  1.24000E+02  1.23000E+02  1.22000E+02  1.21000E+02
+  9.20000E+01  9.10000E+01  9.00000E+01  8.90000E+01  6.00000E+01  5.90000E+01
+  5.80000E+01  5.70000E+01  2.80000E+01  2.70000E+01  2.60000E+01  2.50000E+01
+  1.84000E+02  1.83000E+02  1.82000E+02  1.81000E+02  1.52000E+02  1.51000E+02
+  1.50000E+02  1.49000E+02  1.20000E+02  1.19000E+02  1.18000E+02  1.17000E+02
+  8.80000E+01  8.70000E+01  8.60000E+01  8.50000E+01  5.60000E+01  5.50000E+01
+  5.40000E+01  5.30000E+01  2.40000E+01  2.30000E+01  2.20000E+01  2.10000E+01
+  1.80000E+02  1.79000E+02  1.78000E+02  1.77000E+02  1.48000E+02  1.47000E+02
+  1.46000E+02  1.45000E+02  1.16000E+02  1.15000E+02  1.14000E+02  1.13000E+02
+  8.40000E+01  8.30000E+01  8.20000E+01  8.10000E+01  5.20000E+01  5.10000E+01
+  5.00000E+01  4.90000E+01  2.00000E+01  1.90000E+01  1.80000E+01  1.70000E+01
+  1.76000E+02  1.75000E+02  1.74000E+02  1.73000E+02  1.44000E+02  1.43000E+02
+  1.42000E+02  1.41000E+02  1.12000E+02  1.11000E+02  1.10000E+02  1.09000E+02
+  8.00000E+01  7.90000E+01  7.80000E+01  7.70000E+01  4.80000E+01  4.70000E+01
+  4.60000E+01  4.50000E+01  1.60000E+01  1.50000E+01  1.40000E+01  1.30000E+01
+  1.72000E+02  1.71000E+02  1.70000E+02  1.69000E+02  1.40000E+02  1.39000E+02
+  1.38000E+02  1.37000E+02  1.08000E+02  1.07000E+02  1.06000E+02  1.05000E+02
+  7.60000E+01  7.50000E+01  7.40000E+01  7.30000E+01  4.40000E+01  4.30000E+01
+  4.20000E+01  4.10000E+01  1.20000E+01  1.10000E+01  1.00000E+01  9.00000E+00
+  1.68000E+02  1.67000E+02  1.66000E+02  1.65000E+02  1.36000E+02  1.35000E+02
+  1.34000E+02  1.33000E+02  1.04000E+02  1.03000E+02  1.02000E+02  1.01000E+02
+  7.20000E+01  7.10000E+01  7.00000E+01  6.90000E+01  4.00000E+01  3.90000E+01
+  3.80000E+01  3.70000E+01  8.00000E+00  7.00000E+00  6.00000E+00  5.00000E+00
+  1.64000E+02  1.63000E+02  1.62000E+02  1.61000E+02  1.32000E+02  1.31000E+02
+  1.30000E+02  1.29000E+02  1.00000E+02  9.90000E+01  9.80000E+01  9.70000E+01
+  6.80000E+01  6.70000E+01  6.60000E+01  6.50000E+01  3.60000E+01  3.50000E+01
+  3.40000E+01  3.30000E+01  4.00000E+00  3.00000E+00  2.00000E+00  1.00000E+00
diff --git a/tests/unit_tests/weightwindows/wwinp_t b/tests/unit_tests/weightwindows/wwinp_t
new file mode 100644
index 000000000..91f7a93ac
--- /dev/null
+++ b/tests/unit_tests/weightwindows/wwinp_t
@@ -0,0 +1,47 @@
+         1         2         2        10
+         0         4
+          6.0          8.0          1.0 -1.00000E+02 -1.00000E+02 -5.00000E+01
+          6.0          8.0          1.0          1.0
+ -1.00000E+02  1.00000E+00 -6.66667E+01  1.00000E+00  1.00000E+00 -3.33333E+01
+  1.00000E+00  1.00000E+00  0.00000E+00  1.00000E+00  1.00000E+00  3.33333E+01
+  1.00000E+00  1.00000E+00  6.66667E+01  1.00000E+00  1.00000E+00  1.00000E+02
+  1.00000E+00
+ -1.00000E+02  1.00000E+00 -5.00000E+01  1.00000E+00  1.00000E+00 -1.33333E+01
+  1.00000E+00  1.00000E+00  2.33333E+01  1.00000E+00  1.00000E+00  6.00000E+01
+  1.00000E+00  1.00000E+00  7.00000E+01  1.00000E+00  1.00000E+00  8.00000E+01
+  1.00000E+00  1.00000E+00  9.00000E+01  1.00000E+00  1.00000E+00  1.00000E+02
+  1.00000E+00
+ -5.00000E+01  1.00000E+00  5.00000E+01  1.00000E+00
+  1.00000E-01  1.46780E-01  2.15440E-01  3.16230E-01
+  1.92000E+02  1.91000E+02  1.90000E+02  1.89000E+02  1.60000E+02  1.59000E+02
+  1.58000E+02  1.57000E+02  1.28000E+02  1.27000E+02  1.26000E+02  1.25000E+02
+  9.60000E+01  9.50000E+01  9.40000E+01  9.30000E+01  6.40000E+01  6.30000E+01
+  6.20000E+01  6.10000E+01  3.20000E+01  3.10000E+01  3.00000E+01  2.90000E+01
+  1.88000E+02  1.87000E+02  1.86000E+02  1.85000E+02  1.56000E+02  1.55000E+02
+  1.54000E+02  1.53000E+02  1.24000E+02  1.23000E+02  1.22000E+02  1.21000E+02
+  9.20000E+01  9.10000E+01  9.00000E+01  8.90000E+01  6.00000E+01  5.90000E+01
+  5.80000E+01  5.70000E+01  2.80000E+01  2.70000E+01  2.60000E+01  2.50000E+01
+  1.84000E+02  1.83000E+02  1.82000E+02  1.81000E+02  1.52000E+02  1.51000E+02
+  1.50000E+02  1.49000E+02  1.20000E+02  1.19000E+02  1.18000E+02  1.17000E+02
+  8.80000E+01  8.70000E+01  8.60000E+01  8.50000E+01  5.60000E+01  5.50000E+01
+  5.40000E+01  5.30000E+01  2.40000E+01  2.30000E+01  2.20000E+01  2.10000E+01
+  1.80000E+02  1.79000E+02  1.78000E+02  1.77000E+02  1.48000E+02  1.47000E+02
+  1.46000E+02  1.45000E+02  1.16000E+02  1.15000E+02  1.14000E+02  1.13000E+02
+  8.40000E+01  8.30000E+01  8.20000E+01  8.10000E+01  5.20000E+01  5.10000E+01
+  5.00000E+01  4.90000E+01  2.00000E+01  1.90000E+01  1.80000E+01  1.70000E+01
+  1.76000E+02  1.75000E+02  1.74000E+02  1.73000E+02  1.44000E+02  1.43000E+02
+  1.42000E+02  1.41000E+02  1.12000E+02  1.11000E+02  1.10000E+02  1.09000E+02
+  8.00000E+01  7.90000E+01  7.80000E+01  7.70000E+01  4.80000E+01  4.70000E+01
+  4.60000E+01  4.50000E+01  1.60000E+01  1.50000E+01  1.40000E+01  1.30000E+01
+  1.72000E+02  1.71000E+02  1.70000E+02  1.69000E+02  1.40000E+02  1.39000E+02
+  1.38000E+02  1.37000E+02  1.08000E+02  1.07000E+02  1.06000E+02  1.05000E+02
+  7.60000E+01  7.50000E+01  7.40000E+01  7.30000E+01  4.40000E+01  4.30000E+01
+  4.20000E+01  4.10000E+01  1.20000E+01  1.10000E+01  1.00000E+01  9.00000E+00
+  1.68000E+02  1.67000E+02  1.66000E+02  1.65000E+02  1.36000E+02  1.35000E+02
+  1.34000E+02  1.33000E+02  1.04000E+02  1.03000E+02  1.02000E+02  1.01000E+02
+  7.20000E+01  7.10000E+01  7.00000E+01  6.90000E+01  4.00000E+01  3.90000E+01
+  3.80000E+01  3.70000E+01  8.00000E+00  7.00000E+00  6.00000E+00  5.00000E+00
+  1.64000E+02  1.63000E+02  1.62000E+02  1.61000E+02  1.32000E+02  1.31000E+02
+  1.30000E+02  1.29000E+02  1.00000E+02  9.90000E+01  9.80000E+01  9.70000E+01
+  6.80000E+01  6.70000E+01  6.60000E+01  6.50000E+01  3.60000E+01  3.50000E+01
+  3.40000E+01  3.30000E+01  4.00000E+00  3.00000E+00  2.00000E+00  1.00000E+00

From d79f2899a84b58341804f4638ad410392dc1ac9d Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 11 Mar 2022 09:43:31 -0600
Subject: [PATCH 0089/2654] Adding tests for time-dependent and non-rectilinear
 mesh wws

---
 openmc/weight_windows.py                      |  7 +++---
 .../weightwindows/test_wwinp_reader.py        | 24 +++++++++++++++++++
 2 files changed, 28 insertions(+), 3 deletions(-)

diff --git a/openmc/weight_windows.py b/openmc/weight_windows.py
index 024637e93..0a5ea6409 100644
--- a/openmc/weight_windows.py
+++ b/openmc/weight_windows.py
@@ -476,8 +476,8 @@ def wwinp_to_wws(path):
 
     if mesh_chars != 10:
         # TODO: read the first entry by default and display a warning
-        raise ValueError('Cylindrical and Spherical meshes '
-                         'are not currently supported')
+        raise NotImplementedError('Cylindrical and Spherical meshes '
+                                  'are not currently supported')
 
     # read the number of energy groups for each particle, ne
     n_egroups = [int(next(wwinp)) for _ in range(n_particle_types)]
@@ -518,7 +518,8 @@ def wwinp_to_wws(path):
 
     if mesh_type != 1:
         # TODO: support additional mesh types
-        raise ValueError('Cylindrical and Spherical meshes are not currently supported')
+        raise NotImplementedError('Cylindrical and Spherical meshes '
+                                  'are not currently supported')
 
     # internal function for parsing mesh coordinates
     def _read_mesh_coords(wwinp, n_coarse_bins):
diff --git a/tests/unit_tests/weightwindows/test_wwinp_reader.py b/tests/unit_tests/weightwindows/test_wwinp_reader.py
index faf29e60d..dde7356bb 100644
--- a/tests/unit_tests/weightwindows/test_wwinp_reader.py
+++ b/tests/unit_tests/weightwindows/test_wwinp_reader.py
@@ -3,6 +3,8 @@ import numpy as np
 import openmc
 import pytest
 
+from openmc.weight_windows import wwinp_to_wws
+
 
 # check that we can successfully read wwinp files with the following contents:
 #
@@ -81,6 +83,7 @@ expected_results = [('wwinp_n', n_mesh, n_particles, n_e_bounds),
                     ('wwinp_p', p_mesh, p_particles, p_e_bounds)]
 
 
+# function for printing readable test labels
 def id_fn(params):
     suffix = params[0].split('_')[-1]
     if suffix == 'n':
@@ -119,3 +122,24 @@ def test_wwinp_reader(wwinp_data):
         n_wws = np.prod((*mesh.dimension, e_bounds.size - 1))
         exp_ww_lb = np.linspace(1, n_wws, n_wws)[::-1]
         np.testing.assert_array_equal(exp_ww_lb, ww.lower_ww_bounds)
+
+
+# check expected failures
+def fail_id_fn(params):
+    suffix = params[0].split('_')[-1]
+    if suffix == 't':
+        return 'time-steps-failure'
+    elif suffix == 'cyl':
+        return 'cyl-mesh-failure'
+
+
+expected_failure_data = (('wwinp_t', ValueError),
+                         ('wwinp_cyl', NotImplementedError))
+
+
+@pytest.mark.parametrize('wwinp_data', expected_failure_data, ids=fail_id_fn)
+def test_wwinp_reader_failures(wwinp_data):
+    filename, expected_failure = wwinp_data
+
+    with pytest.raises(expected_failure):
+        _ = openmc.wwinp_to_wws(filename)

From 1cdd7084fc7383dad22ba636382a4c7830396fdd Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 11 Mar 2022 09:45:16 -0600
Subject: [PATCH 0090/2654] PEP8 updates, correcting comment, removing unused
 var

---
 openmc/weight_windows.py | 5 ++---
 1 file changed, 2 insertions(+), 3 deletions(-)

diff --git a/openmc/weight_windows.py b/openmc/weight_windows.py
index 0a5ea6409..7cb9d1036 100644
--- a/openmc/weight_windows.py
+++ b/openmc/weight_windows.py
@@ -443,6 +443,7 @@ def __wwinp_reader(path):
         for value in values:
             yield value
 
+
 def wwinp_to_wws(path):
     """Creates WeightWindows classes from a wwinp file
 
@@ -530,7 +531,7 @@ def wwinp_to_wws(path):
             sx = int(float(next(wwinp)))
             # value of next coordinate, px
             px = float(next(wwinp))
-            # fine mesh ratio, qx, is currently unused
+            # fine mesh ratio, qx (currently unused)
             qx = next(wwinp)
             # append the fine mesh coordinates for this coarse element
             coords += list(np.linspace(coords[-1], px, sx + 1))[1:]
@@ -561,8 +562,6 @@ def wwinp_to_wws(path):
                    'number read in block 1 of the wwinp file ({})')
             raise ValueError(msg.format(dim, mesh_val, header_val))
 
-    # total number of fine mesh elements, nft
-    n_elements = n_fine_x * n_fine_y * n_fine_z
     # read energy bins and weight window values for each particle
     wws = []
     for particle, ne in zip(particles, n_egroups):

From 87bde4d72c70a6c8019afc467d51af83028581e9 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 11 Mar 2022 14:33:34 -0600
Subject: [PATCH 0091/2654] Using context manager. Improving docstring

---
 openmc/weight_windows.py | 41 ++++++++++++++++++++--------------------
 1 file changed, 21 insertions(+), 20 deletions(-)

diff --git a/openmc/weight_windows.py b/openmc/weight_windows.py
index 7cb9d1036..1a54c1b9b 100644
--- a/openmc/weight_windows.py
+++ b/openmc/weight_windows.py
@@ -419,38 +419,39 @@ def __wwinp_reader(path):
     path : str or pathlib.Path
         Location of the wwinp file
     """
-    fh = open(path, 'r')
 
-    # read the first line of the file and
-    # keep only the first four entries
-    while(True):
-        line = next(fh)
-        if line and not line.startswith('c'):
-            break
+    with open(path, 'r') as fh:
 
-    values = line.strip().split()[:4]
-    for value in values:
-        yield value
+        # read the first line of the file and
+        # keep only the first four entries
+        while True:
+            line = next(fh)
+            if line and not line.startswith('c'):
+                break
 
-    # the remainder of the file can be read as
-    # sequential values
-    while(True):
-        line = next(fh)
-        # skip empty or commented lines
-        if not line or line.startswith('c'):
-            continue
-        values = line.strip().split()
+        values = line.strip().split()[:4]
         for value in values:
             yield value
 
+        # the remainder of the file can be read as
+        # sequential values
+        while True:
+            line = next(fh)
+            # skip empty or commented lines
+            if not line or line.startswith('c'):
+                continue
+            values = line.strip().split()
+            for value in values:
+                yield value
+
 
 def wwinp_to_wws(path):
     """Creates WeightWindows classes from a wwinp file
 
     Parameters
     ----------
-    path : str
-        Path to the wwinp file.
+    path : str or pathlib.Path object
+        Path to the wwinp file
 
     Returns
     -------

From 61bce00f08bec4abc4b27085656b5f947c6ed999 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 11 Mar 2022 14:33:59 -0600
Subject: [PATCH 0092/2654] Adding function to resolve the full path to the
 test data files.

---
 tests/unit_tests/weightwindows/test_wwinp_reader.py | 12 +++++++-----
 1 file changed, 7 insertions(+), 5 deletions(-)

diff --git a/tests/unit_tests/weightwindows/test_wwinp_reader.py b/tests/unit_tests/weightwindows/test_wwinp_reader.py
index dde7356bb..b9de6b329 100644
--- a/tests/unit_tests/weightwindows/test_wwinp_reader.py
+++ b/tests/unit_tests/weightwindows/test_wwinp_reader.py
@@ -1,11 +1,9 @@
 import numpy as np
+from pathlib import Path
 
 import openmc
 import pytest
 
-from openmc.weight_windows import wwinp_to_wws
-
-
 # check that we can successfully read wwinp files with the following contents:
 #
 #  - neutrons on a rectilinear mesh
@@ -93,12 +91,16 @@ def id_fn(params):
     elif suffix == 'p':
         return 'photon-only'
 
+# function to resolve full path to the test data
+def full_path(filename):
+    cwd = Path(__file__).parent.absolute()
+    return cwd / Path(filename)
 
 @pytest.mark.parametrize('wwinp_data', expected_results, ids=id_fn)
 def test_wwinp_reader(wwinp_data):
     wwinp_file, mesh, particle_types, energy_bounds = wwinp_data
 
-    wws = openmc.wwinp_to_wws(wwinp_file)
+    wws = openmc.wwinp_to_wws(full_path(wwinp_file))
 
     for i, ww in enumerate(wws):
         e_bounds = energy_bounds[i]
@@ -142,4 +144,4 @@ def test_wwinp_reader_failures(wwinp_data):
     filename, expected_failure = wwinp_data
 
     with pytest.raises(expected_failure):
-        _ = openmc.wwinp_to_wws(filename)
+        _ = openmc.wwinp_to_wws(full_path(filename))

From 176b1a09a3cc98c8aa4753b4ba33ee7fb67cd8b6 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Tue, 15 Mar 2022 09:59:52 -0500
Subject: [PATCH 0093/2654] Updates to attribute name

---
 openmc/weight_windows.py                            | 2 +-
 tests/unit_tests/weightwindows/test_wwinp_reader.py | 2 +-
 2 files changed, 2 insertions(+), 2 deletions(-)

diff --git a/openmc/weight_windows.py b/openmc/weight_windows.py
index 1a54c1b9b..ca71a9f0f 100644
--- a/openmc/weight_windows.py
+++ b/openmc/weight_windows.py
@@ -585,7 +585,7 @@ def wwinp_to_wws(path):
                            mesh=mesh,
                            lower_ww_bounds=ww_lb.flatten(),
                            upper_bound_ratio=5.0,
-                           energy_bins=e_bounds,
+                           energy_bounds=e_bounds,
                            particle_type=particle)
         wws.append(ww)
 
diff --git a/tests/unit_tests/weightwindows/test_wwinp_reader.py b/tests/unit_tests/weightwindows/test_wwinp_reader.py
index b9de6b329..fdabfe18a 100644
--- a/tests/unit_tests/weightwindows/test_wwinp_reader.py
+++ b/tests/unit_tests/weightwindows/test_wwinp_reader.py
@@ -117,7 +117,7 @@ def test_wwinp_reader(wwinp_data):
         np.testing.assert_allclose(mesh.z_grid, ww.mesh.z_grid, rtol=1e-6)
 
         # check the energy bounds
-        np.testing.assert_array_equal(e_bounds, ww.energy_bins)
+        np.testing.assert_array_equal(e_bounds, ww.energy_bounds)
 
         # check the expected weight window values mocked in the file --
         # a reversed array of the flat index into the numpy array

From 64e039502ecd4593e06db54755520704401a0365 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Tue, 15 Mar 2022 10:04:30 -0500
Subject: [PATCH 0094/2654] PEP8

---
 tests/unit_tests/weightwindows/test_wwinp_reader.py | 2 ++
 1 file changed, 2 insertions(+)

diff --git a/tests/unit_tests/weightwindows/test_wwinp_reader.py b/tests/unit_tests/weightwindows/test_wwinp_reader.py
index fdabfe18a..b890b7f37 100644
--- a/tests/unit_tests/weightwindows/test_wwinp_reader.py
+++ b/tests/unit_tests/weightwindows/test_wwinp_reader.py
@@ -91,11 +91,13 @@ def id_fn(params):
     elif suffix == 'p':
         return 'photon-only'
 
+
 # function to resolve full path to the test data
 def full_path(filename):
     cwd = Path(__file__).parent.absolute()
     return cwd / Path(filename)
 
+
 @pytest.mark.parametrize('wwinp_data', expected_results, ids=id_fn)
 def test_wwinp_reader(wwinp_data):
     wwinp_file, mesh, particle_types, energy_bounds = wwinp_data

From 01117b10ffa027423906cd7bf801b24d3be92ca2 Mon Sep 17 00:00:00 2001
From: Kalin Kiesling <krkiesling@gmail.com>
Date: Tue, 15 Mar 2022 10:43:22 -0500
Subject: [PATCH 0095/2654] use xtensor library on system if it already exists,
 else use vendored submodule

---
 CMakeLists.txt | 15 +++++++++++----
 1 file changed, 11 insertions(+), 4 deletions(-)

diff --git a/CMakeLists.txt b/CMakeLists.txt
index a01d02fb3..1e514e32b 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -71,7 +71,12 @@ if(pugixml_FOUND)
 else()
   message(STATUS "Did not find pugixml, will use submodule instead")
 endif()
-
+find_package(xtensor QUIET NO_SYSTEM_ENVIRONMENT_PATH)
+if(xtensor_FOUND)
+  message(STATUS "Found xtensor: ${xtensor_DIR} (version ${xtensor_VERSION})")
+else()
+  message(STATUS "Did not find xtensor, will use submodule instead")
+endif()
 #===============================================================================
 # libMesh Unstructured Mesh Support
 #===============================================================================
@@ -211,9 +216,11 @@ if (NOT (CMAKE_VERSION VERSION_LESS 3.13))
   cmake_policy(SET CMP0079 NEW)
 endif()
 
-add_subdirectory(vendor/xtl)
-set(xtl_DIR ${CMAKE_CURRENT_BINARY_DIR}/vendor/xtl)
-add_subdirectory(vendor/xtensor)
+if (NOT xtensor_FOUND)
+  add_subdirectory(vendor/xtl)
+  set(xtl_DIR ${CMAKE_CURRENT_BINARY_DIR}/vendor/xtl)
+  add_subdirectory(vendor/xtensor)
+endif()
 
 #===============================================================================
 # GSL header-only library

From 42f95cc0f716b53356368aaca2cb3feb0b678efd Mon Sep 17 00:00:00 2001
From: Kalin Kiesling <krkiesling@gmail.com>
Date: Tue, 15 Mar 2022 10:49:01 -0500
Subject: [PATCH 0096/2654] check for xtl on system

---
 CMakeLists.txt | 10 +++++++++-
 1 file changed, 9 insertions(+), 1 deletion(-)

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 1e514e32b..bcc6fb7db 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -77,6 +77,11 @@ if(xtensor_FOUND)
 else()
   message(STATUS "Did not find xtensor, will use submodule instead")
 endif()
+if(xtl_FOUND)
+  message(STATUS "Found xtl: ${xtl_DIR} (version ${xtl_VERSION})")
+else()
+  message(STATUS "Did not find xtl, will use submodule instead")
+endif()
 #===============================================================================
 # libMesh Unstructured Mesh Support
 #===============================================================================
@@ -216,9 +221,12 @@ if (NOT (CMAKE_VERSION VERSION_LESS 3.13))
   cmake_policy(SET CMP0079 NEW)
 endif()
 
-if (NOT xtensor_FOUND)
+if (NOT xtl_FOUND)
   add_subdirectory(vendor/xtl)
   set(xtl_DIR ${CMAKE_CURRENT_BINARY_DIR}/vendor/xtl)
+endif()
+
+if (NOT xtensor_FOUND)
   add_subdirectory(vendor/xtensor)
 endif()
 

From 7369796425f9051904142deb0dd5cb3b7bc3f3cc Mon Sep 17 00:00:00 2001
From: Kalin Kiesling <krkiesling@gmail.com>
Date: Tue, 15 Mar 2022 11:01:09 -0500
Subject: [PATCH 0097/2654] look for existing gls-lite package

---
 CMakeLists.txt | 17 +++++++++++++----
 1 file changed, 13 insertions(+), 4 deletions(-)

diff --git a/CMakeLists.txt b/CMakeLists.txt
index bcc6fb7db..9cd8395c1 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -77,11 +77,18 @@ if(xtensor_FOUND)
 else()
   message(STATUS "Did not find xtensor, will use submodule instead")
 endif()
+find_package(xtl QUIET NO_SYSTEM_ENVIRONMENT_PATH)
 if(xtl_FOUND)
   message(STATUS "Found xtl: ${xtl_DIR} (version ${xtl_VERSION})")
 else()
   message(STATUS "Did not find xtl, will use submodule instead")
 endif()
+find_package(gsl-lite QUIET NO_SYSTEM_ENVIRONMENT_PATH)
+if(gsl-lite_FOUND)
+  message(STATUS "Found : ${gsl-lite_DIR} (version ${gsl-lite_VERSION})")
+else()
+  message(STATUS "Did not find gsl-lite, will use submodule instead")
+endif()
 #===============================================================================
 # libMesh Unstructured Mesh Support
 #===============================================================================
@@ -234,11 +241,13 @@ endif()
 # GSL header-only library
 #===============================================================================
 
-add_subdirectory(vendor/gsl-lite)
+if (NOT gsl-lite_FOUND)
+  add_subdirectory(vendor/gsl-lite)
 
-# Make sure contract violations throw exceptions
-target_compile_definitions(gsl-lite-v1 INTERFACE GSL_THROW_ON_CONTRACT_VIOLATION)
-target_compile_definitions(gsl-lite-v1 INTERFACE gsl_CONFIG_ALLOWS_NONSTRICT_SPAN_COMPARISON=1)
+  # Make sure contract violations throw exceptions
+  target_compile_definitions(gsl-lite-v1 INTERFACE GSL_THROW_ON_CONTRACT_VIOLATION)
+  target_compile_definitions(gsl-lite-v1 INTERFACE gsl_CONFIG_ALLOWS_NONSTRICT_SPAN_COMPARISON=1)
+endif()
 
 #===============================================================================
 # RPATH information

From 8c972528b3b87544c516a4ca256c86c0841a01a2 Mon Sep 17 00:00:00 2001
From: Kalin Kiesling <krkiesling@gmail.com>
Date: Tue, 15 Mar 2022 11:18:55 -0500
Subject: [PATCH 0098/2654] typo in status message

---
 CMakeLists.txt | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 9cd8395c1..3d588cb84 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -85,7 +85,7 @@ else()
 endif()
 find_package(gsl-lite QUIET NO_SYSTEM_ENVIRONMENT_PATH)
 if(gsl-lite_FOUND)
-  message(STATUS "Found : ${gsl-lite_DIR} (version ${gsl-lite_VERSION})")
+  message(STATUS "Found gsl-lite: ${gsl-lite_DIR} (version ${gsl-lite_VERSION})")
 else()
   message(STATUS "Did not find gsl-lite, will use submodule instead")
 endif()

From 097c53f63419406ab65353c375e4dd19816ec288 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Tue, 15 Mar 2022 18:51:33 -0500
Subject: [PATCH 0099/2654] Changes requested by @paulromano

---
 openmc/weight_windows.py | 9 ++++-----
 1 file changed, 4 insertions(+), 5 deletions(-)

diff --git a/openmc/weight_windows.py b/openmc/weight_windows.py
index ca71a9f0f..443500c84 100644
--- a/openmc/weight_windows.py
+++ b/openmc/weight_windows.py
@@ -412,7 +412,7 @@ class WeightWindows(IDManagerMixin):
             id=id
         )
 
-def __wwinp_reader(path):
+def _wwinp_reader(path):
     """
     Generator that returns the next value in a wwinp file.
 
@@ -458,7 +458,7 @@ def wwinp_to_wws(path):
     list of openmc.WeightWindows
     """
     # create generator for getting the next parameter from the file
-    wwinp = __wwinp_reader(path)
+    wwinp = _wwinp_reader(path)
 
     # first parameter, if, of wwinp file is unused
     next(wwinp)
@@ -493,9 +493,8 @@ def wwinp_to_wws(path):
     n_egroups = [e for e in n_egroups if e > 0]
 
     if n_particle_types > 2:
-        msg = ('More than two particle types are present. '
-               'Only neutron and photon weight windows will be read.')
-        warnings.warn(msg)
+        warnings.warn('More than two particle types are present. '
+                      'Only neutron and photon weight windows will be read.')
 
     # read total number of fine mesh elements in each coarse
     # element (nfx, nfy, nfz)

From def829ad7668fec962314d327b7b200e38e8758d Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Tue, 15 Mar 2022 18:52:11 -0500
Subject: [PATCH 0100/2654] Improvements to test file from suggestions by
 @paulromano

---
 .../weightwindows/test_wwinp_reader.py        | 32 ++++++++-----------
 1 file changed, 13 insertions(+), 19 deletions(-)

diff --git a/tests/unit_tests/weightwindows/test_wwinp_reader.py b/tests/unit_tests/weightwindows/test_wwinp_reader.py
index b890b7f37..c225f12f2 100644
--- a/tests/unit_tests/weightwindows/test_wwinp_reader.py
+++ b/tests/unit_tests/weightwindows/test_wwinp_reader.py
@@ -17,7 +17,7 @@ import pytest
 
 # expected retults - neutron data only
 n_mesh = openmc.RectilinearMesh()
-n_mesh.x_grid = np.asarray([-100.0,
+n_mesh.x_grid = np.array([-100.0,
                             -99.0,
                             -97.0,
                             -79.3636,
@@ -33,7 +33,7 @@ n_mesh.x_grid = np.asarray([-100.0,
                             97.0,
                             99.0,
                             100])
-n_mesh.y_grid = np.asarray([-100.0,
+n_mesh.y_grid = np.array([-100.0,
                             -50.0,
                             -13.3333,
                             23.3333,
@@ -42,27 +42,27 @@ n_mesh.y_grid = np.asarray([-100.0,
                             80.0,
                             90.0,
                             100.0])
-n_mesh.z_grid = np.asarray([-100.0,
+n_mesh.z_grid = np.array([-100.0,
                             -66.6667,
                             -33.3333,
                             0.0,
                             33.3333,
                             66.6667,
                             100.0])
-n_e_bounds = (np.asarray([0.0,
+n_e_bounds = (np.array([0.0,
                          100000.0,
                          146780.0]),)
 n_particles = ('neutron',)
 
 # expected results - neutron and photon data
 np_mesh = openmc.RectilinearMesh()
-np_mesh.x_grid = np.asarray([-100.0, 100.0])
+np_mesh.x_grid = np.array([-100.0, 100.0])
 # y grid and z grid are the same as the previous mesh
 np_mesh.y_grid = n_mesh.y_grid
 np_mesh.z_grid = n_mesh.z_grid
 
-np_e_bounds = (np.asarray([0.0, 100000.0, 146780.0, 215440.0]),
-               np.asarray([0.0, 1.0E8]))
+np_e_bounds = (np.array([0.0, 100000.0, 146780.0, 215440.0]),
+               np.array([0.0, 1.0E8]))
 np_particles = ('neutron', 'photon')
 
 # expected results - photon data only
@@ -71,9 +71,9 @@ p_mesh = openmc.RectilinearMesh()
 p_mesh.x_grid = np_mesh.z_grid
 # uses the same y grid
 p_mesh.y_grid = np_mesh.y_grid
-p_mesh.z_grid = np.asarray([-50.0, 50.0])
+p_mesh.z_grid = np.array([-50.0, 50.0])
 
-p_e_bounds = (np.asarray([0.0, 100000.0, 146780.0, 215440.0, 316230.0]),)
+p_e_bounds = (np.array([0.0, 100000.0, 146780.0, 215440.0, 316230.0]),)
 p_particles = ('photon',)
 
 expected_results = [('wwinp_n', n_mesh, n_particles, n_e_bounds),
@@ -92,17 +92,11 @@ def id_fn(params):
         return 'photon-only'
 
 
-# function to resolve full path to the test data
-def full_path(filename):
-    cwd = Path(__file__).parent.absolute()
-    return cwd / Path(filename)
-
-
 @pytest.mark.parametrize('wwinp_data', expected_results, ids=id_fn)
-def test_wwinp_reader(wwinp_data):
+def test_wwinp_reader(wwinp_data, request):
     wwinp_file, mesh, particle_types, energy_bounds = wwinp_data
 
-    wws = openmc.wwinp_to_wws(full_path(wwinp_file))
+    wws = openmc.wwinp_to_wws(request.node.path.parent / wwinp_file)
 
     for i, ww in enumerate(wws):
         e_bounds = energy_bounds[i]
@@ -142,8 +136,8 @@ expected_failure_data = (('wwinp_t', ValueError),
 
 
 @pytest.mark.parametrize('wwinp_data', expected_failure_data, ids=fail_id_fn)
-def test_wwinp_reader_failures(wwinp_data):
+def test_wwinp_reader_failures(wwinp_data, request):
     filename, expected_failure = wwinp_data
 
     with pytest.raises(expected_failure):
-        _ = openmc.wwinp_to_wws(full_path(filename))
+        _ = openmc.wwinp_to_wws(request.node.path.parent / filename)

From 2eab6fd3351527cd24639df68010f93a984acd8c Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Tue, 15 Mar 2022 18:53:42 -0500
Subject: [PATCH 0101/2654] Apply suggestions from @paulromano

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/weight_windows.py | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/openmc/weight_windows.py b/openmc/weight_windows.py
index 443500c84..734d73d4d 100644
--- a/openmc/weight_windows.py
+++ b/openmc/weight_windows.py
@@ -460,7 +460,7 @@ def wwinp_to_wws(path):
     # create generator for getting the next parameter from the file
     wwinp = _wwinp_reader(path)
 
-    # first parameter, if, of wwinp file is unused
+    # first parameter, 'if' (file type), of wwinp file is unused
     next(wwinp)
 
     # check time parameter, iv
@@ -569,7 +569,7 @@ def wwinp_to_wws(path):
         # it is implied that zero is always the first bound in MCNP
         e_bounds = np.asarray([0.0] + [float(next(wwinp)) for _ in range(ne)])
         # adjust energy from MeV to eV
-        e_bounds *= 1E6
+        e_bounds *= 1e6
 
         # create an array for weight window lower bounds
         ww_lb = np.zeros((*mesh.dimension, ne))

From 22fc5d8e2cdfc7f090cf7593c3336f95a8742df6 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Tue, 15 Mar 2022 18:57:54 -0500
Subject: [PATCH 0102/2654] Adding relevant time bin lines to test file

---
 tests/unit_tests/weightwindows/wwinp_t | 2 ++
 1 file changed, 2 insertions(+)

diff --git a/tests/unit_tests/weightwindows/wwinp_t b/tests/unit_tests/weightwindows/wwinp_t
index 91f7a93ac..f1aa26d6d 100644
--- a/tests/unit_tests/weightwindows/wwinp_t
+++ b/tests/unit_tests/weightwindows/wwinp_t
@@ -1,4 +1,5 @@
          1         2         2        10
+         1         1
          0         4
           6.0          8.0          1.0 -1.00000E+02 -1.00000E+02 -5.00000E+01
           6.0          8.0          1.0          1.0
@@ -11,6 +12,7 @@
   1.00000E+00  1.00000E+00  7.00000E+01  1.00000E+00  1.00000E+00  8.00000E+01
   1.00000E+00  1.00000E+00  9.00000E+01  1.00000E+00  1.00000E+00  1.00000E+02
   1.00000E+00
+  1.00000E+02
  -5.00000E+01  1.00000E+00  5.00000E+01  1.00000E+00
   1.00000E-01  1.46780E-01  2.15440E-01  3.16230E-01
   1.92000E+02  1.91000E+02  1.90000E+02  1.89000E+02  1.60000E+02  1.59000E+02

From 695cae93912805ad30ab9445459fc3c1f2af0e6b Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Tue, 15 Mar 2022 19:07:26 -0500
Subject: [PATCH 0103/2654] Updating wwinp_cyl to meet wwinp spec

---
 tests/unit_tests/weightwindows/wwinp_cyl | 5 +++--
 1 file changed, 3 insertions(+), 2 deletions(-)

diff --git a/tests/unit_tests/weightwindows/wwinp_cyl b/tests/unit_tests/weightwindows/wwinp_cyl
index 391e4bcf6..890844b87 100644
--- a/tests/unit_tests/weightwindows/wwinp_cyl
+++ b/tests/unit_tests/weightwindows/wwinp_cyl
@@ -1,7 +1,8 @@
          1         1         2        16
          0         4
           6.0          8.0          1.0 -1.00000E+02 -1.00000E+02 -5.00000E+01
-          6.0          8.0          1.0          1.0
+          6.0          8.0          1.0 -1.00000E+02 -1.00000E+02  5.00000E+01
+ -1.00000E+02  1.00000E+02 -5.00000E+01          2.0
  -1.00000E+02  1.00000E+00 -6.66667E+01  1.00000E+00  1.00000E+00 -3.33333E+01
   1.00000E+00  1.00000E+00  0.00000E+00  1.00000E+00  1.00000E+00  3.33333E+01
   1.00000E+00  1.00000E+00  6.66667E+01  1.00000E+00  1.00000E+00  1.00000E+02
@@ -11,7 +12,7 @@
   1.00000E+00  1.00000E+00  7.00000E+01  1.00000E+00  1.00000E+00  8.00000E+01
   1.00000E+00  1.00000E+00  9.00000E+01  1.00000E+00  1.00000E+00  1.00000E+02
   1.00000E+00
- -5.00000E+01  1.00000E+00  5.00000E+01  1.00000E+00
+  0.00000E+01  1.00000E+00  3.14159E+00  1.00000E+00
   1.00000E-01  1.46780E-01  2.15440E-01  3.16230E-01
   1.92000E+02  1.91000E+02  1.90000E+02  1.89000E+02  1.60000E+02  1.59000E+02
   1.58000E+02  1.57000E+02  1.28000E+02  1.27000E+02  1.26000E+02  1.25000E+02

From 09d355475af1e9e94463e55d598a6310b5175dbb Mon Sep 17 00:00:00 2001
From: Kalin Kiesling <krkiesling@gmail.com>
Date: Wed, 16 Mar 2022 09:49:14 -0500
Subject: [PATCH 0104/2654] fixed gsl compile error

---
 CMakeLists.txt | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 3d588cb84..38069662a 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -446,7 +446,7 @@ endif()
 # target_link_libraries treats any arguments starting with - but not -l as
 # linker flags. Thus, we can pass both linker flags and libraries together.
 target_link_libraries(libopenmc ${ldflags} ${HDF5_LIBRARIES} ${HDF5_HL_LIBRARIES}
-                      pugixml faddeeva xtensor gsl-lite-v1 fmt::fmt)
+                      pugixml faddeeva xtensor gsl::gsl-lite-v1 fmt::fmt)
 
 if(dagmc)
   target_compile_definitions(libopenmc PRIVATE DAGMC)

From 80517d1d4f36e57d90a5de61f86a3dffa3d82c8e Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Wed, 16 Mar 2022 10:13:44 -0500
Subject: [PATCH 0105/2654] wwinp IO refactor

---
 openmc/weight_windows.py | 121 +++++++++++++++++++++++++++++++++++++++
 1 file changed, 121 insertions(+)

diff --git a/openmc/weight_windows.py b/openmc/weight_windows.py
index 734d73d4d..d6067e63d 100644
--- a/openmc/weight_windows.py
+++ b/openmc/weight_windows.py
@@ -1,4 +1,5 @@
 from collections.abc import Iterable
+import math
 from numbers import Real, Integral
 import warnings
 
@@ -457,6 +458,126 @@ def wwinp_to_wws(path):
     -------
     list of openmc.WeightWindows
     """
+
+    # read wwinp data
+    with open(path) as wwinp:
+        # BLOCK 1
+        header = wwinp.readline().split(None, 4)
+        # read file type, time-dependence, number of
+        # particles, mesh type and problem identifier
+        _if, iv, ni, nr = [int(x) for x in header[:4]]
+        probid = header[4] if len(header) > 4 else ""
+
+        if _if != 1:
+            raise ValueError(f'Found incorrect file type, if: "{_if}"')
+        if iv > 1:
+            # read number of time bins for each particle, 'nt(1...ni)'
+            nt = np.fromstring(wwinp.readline(), sep=' ', dtype=int)
+
+            # raise error if time bins are present for now
+            raise ValueError('Time-dependent weight windows '
+                             'are not yet supported')
+        else:
+            nt = ni * [1]
+
+        # read number of energy bins for each particle, 'ne(1...ni)'
+        ne = np.fromstring(wwinp.readline(), sep=' ', dtype=int)
+
+        # read coarse mesh dimensions and lower left corner
+        mesh_description = np.fromstring(wwinp.readline(), sep=' ')
+        nfx, nfy, nfz = [int(x) for x in mesh_description[:3]]
+        x0, y0, z0 = mesh_description[3:]
+
+        # read cylindrical and spherical mesh data if needed
+        if nr == 16:
+            # read number of coarse bins
+            line_arr = np.fromstring(wwinp.readline(), sep=' ')
+            ncx, ncy, ncz = [int(x) for x in line_arr[:3]]
+            # read polar vector (x1, y1, z1)
+            polar_vec = line_arr[3:] - mesh_llc
+            polar_vec /= np.linalg.norm(polar_vec)
+            line_arr = np.fromstring(wwinp.readline(), sep=' ')
+            # read azimuthal vector (x2, y2, z2)
+            azimuthal_vec = line_arr[:3] - mesh_llc
+            azimuthal_vec /= np.linalg.norm(polar_vec)
+            # read geometry type
+            nwg = int(line_arr[-1])
+        elif nr == 10:
+            # read rectilinear data:
+            # number of coarse mesh bins and mesh type
+            ncx, ncy, ncz, nwg = np.fromstring(wwinp.readline(), sep=' ', dtype=int)
+        else:
+            raise RuntimeError(f'Invalid mesh description (nr) found: {nr}')
+
+        # BLOCK 2
+        # read the x dimension description of the mesh
+        # x0, (qx(i), px(i), sx(i), i...ncx)
+        # y0, (qy(i), py(i), sy(i), i...ncy)
+        # z0, (qz(i), pz(i), sz(i), i...ncz)
+        # deterine number of lines to read (6 entries per line)
+        n_x_lines = math.ceil((1 + 3 * ncx) / 6)
+        x_vals = np.fromstring([wwinp.readline() for _ in range(n_x_lines)], sep=' ').flatten()
+        n_y_lines = math.ceil((1 + 3 * ncy) / 6)
+        y_vals = np.fromstring([wwinp.readline() for _ in range(n_y_lines)], sep=' ').flatten()
+        n_z_lines = math.ceil((1 + 3 * ncz) / 6)
+        z_vals = np.fromstring([wwinp.readline() for _ in range(n_z_lines)], sep=' ').flatten()
+
+        # BLOCK 3 - option A
+        particle_data = []
+        for p in range(ni):
+            if iv > 1:
+                # read time bins
+                n_time_bin_lines = math.ceil(nt[p] / 6)
+                time_bins = np.fromstring([wwinp.readline() for _ in range(n_time_bin_lines)], sep=' ').flatten()
+
+            # read energy bins
+            n_energy_bin_lines = math.ceil(ne[p] / 6)
+            energy_bins = np.np.fromstring([wwinp.readline() for _ in range(n_energy_bin_lines)], sep=' ').flatten()
+
+            # read weight window parameters
+            n_ww_lines = math.ceil((nfx * nfy * nfz) * (nt[p]) * (num_energy_bins[p]) / 6)
+            ww_values = np.fromstring([wwinp.readline() for _ in range(n_ww_lines)], sep=' ').flatten()
+
+            particle_dict = {'time_bins': time_bins,
+                             'energy_bins': energy_bins,
+                             'ww_values': ww_values}
+
+            particle_data.append(particle_dict)
+
+        # BLOCK 3 - option B
+        # read all remaining ww data
+        ww_data = np.fromstring(wwinp.read(), sep=' ')
+
+        start_idx = 0
+        particle_data = []
+        for p in range(ni):
+            if iv > 1:
+                end_idx = start_idx + nt[p]
+                time_bins = ww_data[start_idx:end_idx]
+
+            start_idx += end_idx
+
+            end_idx = start_idx + ne[p]
+            energy_bins = ww_data[start_idx:end_idx]
+
+            end_idx = start_idx + (nfx * nfy * nfz) * nt[p] * ne[p]
+            ww_values = ww_data[start_idx:end_idx]
+            start_idx += end_idx
+
+            particle_dict = {'time_bins': time_bins,
+                             'energy_bins': energy_bins,
+                             'ww_values': ww_values}
+
+            particle_data.append(particle_dict)
+
+
+    # create mesh object here
+
+    for i, data in enumerate(particle_data):
+        pass
+        # create WeightWindow objects here
+
+
     # create generator for getting the next parameter from the file
     wwinp = _wwinp_reader(path)
 

From c3997b3fbd623f2a7aff12673b84e75bd7c10ab0 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Wed, 16 Mar 2022 12:18:21 -0500
Subject: [PATCH 0106/2654] Cleaning up reader

---
 openmc/weight_windows.py | 305 +++++++++++----------------------------
 1 file changed, 84 insertions(+), 221 deletions(-)

diff --git a/openmc/weight_windows.py b/openmc/weight_windows.py
index d6067e63d..c9c9be316 100644
--- a/openmc/weight_windows.py
+++ b/openmc/weight_windows.py
@@ -1,5 +1,6 @@
 from collections.abc import Iterable
 import math
+from multiprocessing.sharedctypes import Value
 from numbers import Real, Integral
 import warnings
 
@@ -119,10 +120,6 @@ class WeightWindows(IDManagerMixin):
         self.energy_bounds = energy_bounds
         self.lower_ww_bounds = lower_ww_bounds
 
-        cv.check_length('Lower window bounds',
-                        self.lower_ww_bounds,
-                        len(self.energy_bounds))
-
         if upper_ww_bounds is not None and upper_bound_ratio:
             raise ValueError("Exactly one of upper_ww_bounds and "
                              "upper_bound_ratio must be present.")
@@ -413,38 +410,6 @@ class WeightWindows(IDManagerMixin):
             id=id
         )
 
-def _wwinp_reader(path):
-    """
-    Generator that returns the next value in a wwinp file.
-
-    path : str or pathlib.Path
-        Location of the wwinp file
-    """
-
-    with open(path, 'r') as fh:
-
-        # read the first line of the file and
-        # keep only the first four entries
-        while True:
-            line = next(fh)
-            if line and not line.startswith('c'):
-                break
-
-        values = line.strip().split()[:4]
-        for value in values:
-            yield value
-
-        # the remainder of the file can be read as
-        # sequential values
-        while True:
-            line = next(fh)
-            # skip empty or commented lines
-            if not line or line.startswith('c'):
-                continue
-            values = line.strip().split()
-            for value in values:
-                yield value
-
 
 def wwinp_to_wws(path):
     """Creates WeightWindows classes from a wwinp file
@@ -459,7 +424,6 @@ def wwinp_to_wws(path):
     list of openmc.WeightWindows
     """
 
-    # read wwinp data
     with open(path) as wwinp:
         # BLOCK 1
         header = wwinp.readline().split(None, 4)
@@ -468,8 +432,10 @@ def wwinp_to_wws(path):
         _if, iv, ni, nr = [int(x) for x in header[:4]]
         probid = header[4] if len(header) > 4 else ""
 
+        # header value checks
         if _if != 1:
-            raise ValueError(f'Found incorrect file type, if: "{_if}"')
+            raise ValueError(f'Found incorrect file type, if: {_if}')
+
         if iv > 1:
             # read number of time bins for each particle, 'nt(1...ni)'
             nt = np.fromstring(wwinp.readline(), sep=' ', dtype=int)
@@ -480,233 +446,130 @@ def wwinp_to_wws(path):
         else:
             nt = ni * [1]
 
+        if nr == 16:
+            raise NotImplementedError('Cylindrical and spherical mesh '
+                                      'types are not yet supported')
+
         # read number of energy bins for each particle, 'ne(1...ni)'
         ne = np.fromstring(wwinp.readline(), sep=' ', dtype=int)
 
         # read coarse mesh dimensions and lower left corner
         mesh_description = np.fromstring(wwinp.readline(), sep=' ')
         nfx, nfy, nfz = [int(x) for x in mesh_description[:3]]
-        x0, y0, z0 = mesh_description[3:]
+        xyz0 = mesh_description[3:]
 
-        # read cylindrical and spherical mesh data if needed
+        # read cylindrical and spherical mesh vectors if present
         if nr == 16:
             # read number of coarse bins
             line_arr = np.fromstring(wwinp.readline(), sep=' ')
             ncx, ncy, ncz = [int(x) for x in line_arr[:3]]
             # read polar vector (x1, y1, z1)
-            polar_vec = line_arr[3:] - mesh_llc
-            polar_vec /= np.linalg.norm(polar_vec)
-            line_arr = np.fromstring(wwinp.readline(), sep=' ')
+            xyz1 = line_arr[3:] - xyz0
+            polar_vec = xyz1 / np.linalg.norm(xyz1)
             # read azimuthal vector (x2, y2, z2)
-            azimuthal_vec = line_arr[:3] - mesh_llc
-            azimuthal_vec /= np.linalg.norm(polar_vec)
+            line_arr = np.fromstring(wwinp.readline(), sep=' ')
+            xyz2 = line_arr[:3] - xyz0
+            azimuthal_vec = xyz2 / np.linalg.norm(xyz2)
             # read geometry type
             nwg = int(line_arr[-1])
         elif nr == 10:
             # read rectilinear data:
             # number of coarse mesh bins and mesh type
-            ncx, ncy, ncz, nwg = np.fromstring(wwinp.readline(), sep=' ', dtype=int)
+            ncx, ncy, ncz, nwg = [int(x) for x in np.fromstring(wwinp.readline(), sep=' ')]
         else:
             raise RuntimeError(f'Invalid mesh description (nr) found: {nr}')
 
-        # BLOCK 2
-        # read the x dimension description of the mesh
-        # x0, (qx(i), px(i), sx(i), i...ncx)
-        # y0, (qy(i), py(i), sy(i), i...ncy)
-        # z0, (qz(i), pz(i), sz(i), i...ncz)
-        # deterine number of lines to read (6 entries per line)
-        n_x_lines = math.ceil((1 + 3 * ncx) / 6)
-        x_vals = np.fromstring([wwinp.readline() for _ in range(n_x_lines)], sep=' ').flatten()
-        n_y_lines = math.ceil((1 + 3 * ncy) / 6)
-        y_vals = np.fromstring([wwinp.readline() for _ in range(n_y_lines)], sep=' ').flatten()
-        n_z_lines = math.ceil((1 + 3 * ncz) / 6)
-        z_vals = np.fromstring([wwinp.readline() for _ in range(n_z_lines)], sep=' ').flatten()
-
-        # BLOCK 3 - option A
-        particle_data = []
-        for p in range(ni):
-            if iv > 1:
-                # read time bins
-                n_time_bin_lines = math.ceil(nt[p] / 6)
-                time_bins = np.fromstring([wwinp.readline() for _ in range(n_time_bin_lines)], sep=' ').flatten()
-
-            # read energy bins
-            n_energy_bin_lines = math.ceil(ne[p] / 6)
-            energy_bins = np.np.fromstring([wwinp.readline() for _ in range(n_energy_bin_lines)], sep=' ').flatten()
-
-            # read weight window parameters
-            n_ww_lines = math.ceil((nfx * nfy * nfz) * (nt[p]) * (num_energy_bins[p]) / 6)
-            ww_values = np.fromstring([wwinp.readline() for _ in range(n_ww_lines)], sep=' ').flatten()
-
-            particle_dict = {'time_bins': time_bins,
-                             'energy_bins': energy_bins,
-                             'ww_values': ww_values}
-
-            particle_data.append(particle_dict)
-
-        # BLOCK 3 - option B
-        # read all remaining ww data
+        # read BLOCK 2 and BLOCK 3 data into a single array
         ww_data = np.fromstring(wwinp.read(), sep=' ')
 
-        start_idx = 0
-        particle_data = []
-        for p in range(ni):
-            if iv > 1:
-                end_idx = start_idx + nt[p]
-                time_bins = ww_data[start_idx:end_idx]
+    # extract mesh data from the ww_data array
+    start_idx = 0
 
-            start_idx += end_idx
+    end_idx = start_idx + 1 + 3 * ncx
+    x_vals = ww_data[start_idx:end_idx]
+    start_idx = end_idx
 
-            end_idx = start_idx + ne[p]
-            energy_bins = ww_data[start_idx:end_idx]
+    end_idx = start_idx + 1 + 3 * ncy
+    y_vals = ww_data[start_idx:end_idx]
+    start_idx = end_idx
 
-            end_idx = start_idx + (nfx * nfy * nfz) * nt[p] * ne[p]
-            ww_values = ww_data[start_idx:end_idx]
-            start_idx += end_idx
+    end_idx = start_idx + 1 + 3 * ncz
+    z_vals = ww_data[start_idx:end_idx]
+    start_idx = end_idx
 
-            particle_dict = {'time_bins': time_bins,
-                             'energy_bins': energy_bins,
-                             'ww_values': ww_values}
+    # mesh consistency checks
+    if nr == 16 and nwg == 1:
+        raise ValueError(f'Mesh description in header ({nr}) '
+                         f'does not match the mesh type ({nwg})')
 
-            particle_data.append(particle_dict)
+    if not (xyz0 == (x_vals[0], y_vals[0], z_vals[0])).all():
+        raise ValueError(f'Mesh origin in the header ({xyz0}) '
+                         f' does not match the origin in the mesh '
+                         f' description ({x_vals[0], y_vals[0], z_vals[0]})')
 
+    # extract weight window values from array
+    particle_types = {0: 'neutron', 1: 'photon'}
+    particle_data = []
+    for p in range(ni):
+        # no information to read for this particle if
+        # either the energy bins or time bins are empty
+        if ne[p] == 0 or nt[p] == 0:
+            continue
 
-    # create mesh object here
+        if iv > 1:
+            # unused for now
+            end_idx = start_idx + nt[p]
+            time_bounds = ww_data[start_idx:end_idx]
+            np.insert(time_bounds, (0,), (0.0,))
+            start_idx = end_idx
 
-    for i, data in enumerate(particle_data):
-        pass
-        # create WeightWindow objects here
+        # read energy boundaries and convert from MeV to eV
+        end_idx = start_idx + ne[p]
+        energy_bounds = 1e6 * np.insert(ww_data[start_idx:end_idx], (0,), (0.0,))
+        start_idx = end_idx
 
+        # read weight window values
+        end_idx = start_idx + (nfx * nfy * nfz) * nt[p] * ne[p]
 
-    # create generator for getting the next parameter from the file
-    wwinp = _wwinp_reader(path)
+        # read values and reshape according to ordering
+        # slowest to fastest: z, y, x, e
+        ww_values = ww_data[start_idx:end_idx].reshape(nfz, nfy, nfx, ne[p])
+        # swap z and x axes for correct shape and (ijk, e) mesh indexing
+        ww_values = np.swapaxes(ww_values, 2, 0)
+        start_idx = end_idx
 
-    # first parameter, 'if' (file type), of wwinp file is unused
-    next(wwinp)
+        # gather particle data in container
+        particle_dict = {'particle': particle_types[p],
+                         'energy_bounds': energy_bounds,
+                         'ww_values': ww_values}
+        particle_data.append(particle_dict)
 
-    # check time parameter, iv
-    if int(float(next(wwinp))) > 1:
-        raise ValueError('Time-dependent weight windows '
-                         'are not yet supported.')
+    # create openmc mesh object
+    grids = []
+    for grid_info in [x_vals, y_vals, z_vals]:
+        # first value is the start of the grid
+        coords = [grid_info[0]]
 
-    # number of particle types, ni
-    n_particle_types = int(float(next(wwinp)))
+        # extend the grid based on the next coarse bin endpoint, px
+        # and the number of fine bines in the coarse bin, sx
+        intervals = grid_info[1:].reshape(-1, 3)
+        for sx, px, qx in intervals:
+            coords += list(np.linspace(coords[-1], px, int(sx + 1)))[1:]
 
-    # read an indicator of the mesh type.
-    # this will be 10 if a rectilinear mesh
-    # and 16 for cylindrical or spherical meshes
-    mesh_chars = int(float(next(wwinp)))
+        grids.append(np.asarray(coords))
 
-    if mesh_chars != 10:
-        # TODO: read the first entry by default and display a warning
-        raise NotImplementedError('Cylindrical and Spherical meshes '
-                                  'are not currently supported')
-
-    # read the number of energy groups for each particle, ne
-    n_egroups = [int(next(wwinp)) for _ in range(n_particle_types)]
-
-    # order that supported particle types will appear in the file
-    particle_types = ['neutron', 'photon']
-
-    # add particle to list if at least one energy group is present
-    particles = [p for e, p in zip(n_egroups, particle_types) if e > 0]
-    # truncate list of energy groups if needed
-    n_egroups = [e for e in n_egroups if e > 0]
-
-    if n_particle_types > 2:
-        warnings.warn('More than two particle types are present. '
-                      'Only neutron and photon weight windows will be read.')
-
-    # read total number of fine mesh elements in each coarse
-    # element (nfx, nfy, nfz)
-    n_fine_x = int(float(next(wwinp)))
-    n_fine_y = int(float(next(wwinp)))
-    n_fine_z = int(float(next(wwinp)))
-    header_mesh_dims = (n_fine_x, n_fine_y, n_fine_z)
-
-    # read the mesh origin: x0, y0, z0
-    llc = tuple(float(next(wwinp)) for _ in range(3))
-
-    # read the number of coarse mesh elements (ncx, ncy, ncz)
-    n_coarse_x = int(float(next(wwinp)))
-    n_coarse_y = int(float(next(wwinp)))
-    n_coarse_z = int(float(next(wwinp)))
-
-    # skip the value defining the geometry type, nwg, we already know this
-    # 1 - rectilinear mesh
-    # 2 - cylindrical mesh
-    # 3 - spherical mesh
-    mesh_type = int(float(next(wwinp)))
-
-    if mesh_type != 1:
-        # TODO: support additional mesh types
-        raise NotImplementedError('Cylindrical and Spherical meshes '
-                                  'are not currently supported')
-
-    # internal function for parsing mesh coordinates
-    def _read_mesh_coords(wwinp, n_coarse_bins):
-        coords = [float(next(wwinp))]
-
-        for _ in range(n_coarse_bins):
-            # number of fine mesh elements in this coarse element, sx
-            sx = int(float(next(wwinp)))
-            # value of next coordinate, px
-            px = float(next(wwinp))
-            # fine mesh ratio, qx (currently unused)
-            qx = next(wwinp)
-            # append the fine mesh coordinates for this coarse element
-            coords += list(np.linspace(coords[-1], px, sx + 1))[1:]
-
-        return np.asarray(coords)
-
-    # read the coordinates for each dimension into a rectilinear mesh
     mesh = RectilinearMesh()
-    mesh.x_grid = _read_mesh_coords(wwinp, n_coarse_x)
-    mesh.y_grid = _read_mesh_coords(wwinp, n_coarse_y)
-    mesh.z_grid = _read_mesh_coords(wwinp, n_coarse_z)
+    mesh.x_grid, mesh.y_grid, mesh.z_grid = grids
 
-    dims = ('x', 'y', 'z')
-    # check consistency of mesh coordinates
-    mesh_llc = mesh_val = (mesh.x_grid[0], mesh.y_grid[0], mesh.z_grid[0])
-    for dim, header_val, mesh_val in zip(dims, llc, mesh_llc):
-        if header_val != mesh_val:
-            msg = ('The {} corner of the mesh ({}) does not match '
-                   'the value read in block 1 of the wwinp file ({})')
-            raise ValueError(msg.format(dim, mesh_val, header_val))
-
-    # check total number of mesh elements in each direction
-    mesh_dims = mesh.dimension
-    for dim, header_val, mesh_val in zip(dims, header_mesh_dims, mesh_dims):
-        if header_val != mesh_val:
-            msg = ('Total number of mesh elements read in the {} '
-                   'direction ({}) is inconsistent with the '
-                   'number read in block 1 of the wwinp file ({})')
-            raise ValueError(msg.format(dim, mesh_val, header_val))
-
-    # read energy bins and weight window values for each particle
+    # create openmc weight window objects
     wws = []
-    for particle, ne in zip(particles, n_egroups):
-        # read upper energy bounds
-        # it is implied that zero is always the first bound in MCNP
-        e_bounds = np.asarray([0.0] + [float(next(wwinp)) for _ in range(ne)])
-        # adjust energy from MeV to eV
-        e_bounds *= 1e6
-
-        # create an array for weight window lower bounds
-        ww_lb = np.zeros((*mesh.dimension, ne))
-        for ijk in mesh.indices:
-            # MCNP ordering for weight windows matches that of OpenMC
-            # ('xyz' with x changing fastest)
-            idx = tuple([v - 1 for v in ijk] + [slice(None)])
-            ww_lb[idx] = [float(next(wwinp)) for _ in range(ne)]
-
-        # create a WeightWindows object and add it to the output list
+    for data in particle_data:
         ww = WeightWindows(id=None,
                            mesh=mesh,
-                           lower_ww_bounds=ww_lb.flatten(),
+                           lower_ww_bounds=data['ww_values'],
                            upper_bound_ratio=5.0,
-                           energy_bounds=e_bounds,
-                           particle_type=particle)
+                           energy_bounds=data['energy_bounds'],
+                           particle_type=data['particle'])
         wws.append(ww)
 
     return wws

From a29134ef430872f6d87ff282bcf67de28f8203b8 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Wed, 16 Mar 2022 12:18:47 -0500
Subject: [PATCH 0107/2654] Test against flat array now that the attribute is
 shaped

---
 tests/unit_tests/weightwindows/test_wwinp_reader.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/tests/unit_tests/weightwindows/test_wwinp_reader.py b/tests/unit_tests/weightwindows/test_wwinp_reader.py
index c225f12f2..9aeaa9f59 100644
--- a/tests/unit_tests/weightwindows/test_wwinp_reader.py
+++ b/tests/unit_tests/weightwindows/test_wwinp_reader.py
@@ -119,7 +119,7 @@ def test_wwinp_reader(wwinp_data, request):
         # a reversed array of the flat index into the numpy array
         n_wws = np.prod((*mesh.dimension, e_bounds.size - 1))
         exp_ww_lb = np.linspace(1, n_wws, n_wws)[::-1]
-        np.testing.assert_array_equal(exp_ww_lb, ww.lower_ww_bounds)
+        np.testing.assert_array_equal(exp_ww_lb, ww.lower_ww_bounds.flatten())
 
 
 # check expected failures

From 5169f4df577a14ad730fda4653bd12447e09908a Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Wed, 16 Mar 2022 12:22:21 -0500
Subject: [PATCH 0108/2654] PEP8 updates

---
 openmc/weight_windows.py | 9 ++++++---
 1 file changed, 6 insertions(+), 3 deletions(-)

diff --git a/openmc/weight_windows.py b/openmc/weight_windows.py
index c9c9be316..df716498c 100644
--- a/openmc/weight_windows.py
+++ b/openmc/weight_windows.py
@@ -475,7 +475,8 @@ def wwinp_to_wws(path):
         elif nr == 10:
             # read rectilinear data:
             # number of coarse mesh bins and mesh type
-            ncx, ncy, ncz, nwg = [int(x) for x in np.fromstring(wwinp.readline(), sep=' ')]
+            ncx, ncy, ncz, nwg = \
+                [int(x) for x in np.fromstring(wwinp.readline(), sep=' ')]
         else:
             raise RuntimeError(f'Invalid mesh description (nr) found: {nr}')
 
@@ -523,9 +524,11 @@ def wwinp_to_wws(path):
             np.insert(time_bounds, (0,), (0.0,))
             start_idx = end_idx
 
-        # read energy boundaries and convert from MeV to eV
+        # read energy boundaries
         end_idx = start_idx + ne[p]
-        energy_bounds = 1e6 * np.insert(ww_data[start_idx:end_idx], (0,), (0.0,))
+        energy_bounds = np.insert(ww_data[start_idx:end_idx], (0,), (0.0,))
+        # convert from MeV to eV
+        energy_bounds *= 1e6
         start_idx = end_idx
 
         # read weight window values

From eaa556c2b61fb449b85ca96ebdbf6bb5fe085fef Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Wed, 16 Mar 2022 12:30:26 -0500
Subject: [PATCH 0109/2654] Removing unused imports

---
 openmc/weight_windows.py | 3 ---
 1 file changed, 3 deletions(-)

diff --git a/openmc/weight_windows.py b/openmc/weight_windows.py
index df716498c..2f2325bf4 100644
--- a/openmc/weight_windows.py
+++ b/openmc/weight_windows.py
@@ -1,8 +1,5 @@
 from collections.abc import Iterable
-import math
-from multiprocessing.sharedctypes import Value
 from numbers import Real, Integral
-import warnings
 
 from xml.etree import ElementTree as ET
 import numpy as np

From 2186df8ed4be28f65cf95ec21ad91063fd79aa56 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Wed, 16 Mar 2022 12:38:18 -0500
Subject: [PATCH 0110/2654] Comment updates

---
 openmc/weight_windows.py | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/openmc/weight_windows.py b/openmc/weight_windows.py
index 2f2325bf4..4ba35bd91 100644
--- a/openmc/weight_windows.py
+++ b/openmc/weight_windows.py
@@ -515,7 +515,7 @@ def wwinp_to_wws(path):
             continue
 
         if iv > 1:
-            # unused for now
+            # time bins are parsed but unused for now
             end_idx = start_idx + nt[p]
             time_bounds = ww_data[start_idx:end_idx]
             np.insert(time_bounds, (0,), (0.0,))
@@ -551,7 +551,7 @@ def wwinp_to_wws(path):
         coords = [grid_info[0]]
 
         # extend the grid based on the next coarse bin endpoint, px
-        # and the number of fine bines in the coarse bin, sx
+        # and the number of fine bins in the coarse bin, sx
         intervals = grid_info[1:].reshape(-1, 3)
         for sx, px, qx in intervals:
             coords += list(np.linspace(coords[-1], px, int(sx + 1)))[1:]

From a7ce3c92ca838620e198edcd01165b2dd3387045 Mon Sep 17 00:00:00 2001
From: Kalin Kiesling <krkiesling@gmail.com>
Date: Wed, 16 Mar 2022 15:44:25 -0500
Subject: [PATCH 0111/2654] fix pugixml linking issue

---
 CMakeLists.txt | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 38069662a..1d60861d3 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -446,7 +446,7 @@ endif()
 # target_link_libraries treats any arguments starting with - but not -l as
 # linker flags. Thus, we can pass both linker flags and libraries together.
 target_link_libraries(libopenmc ${ldflags} ${HDF5_LIBRARIES} ${HDF5_HL_LIBRARIES}
-                      pugixml faddeeva xtensor gsl::gsl-lite-v1 fmt::fmt)
+                      pugixml::pugixml faddeeva xtensor gsl::gsl-lite-v1 fmt::fmt)
 
 if(dagmc)
   target_compile_definitions(libopenmc PRIVATE DAGMC)

From 387f86389d470e798c752bf8f6db5cdeeb6c6780 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Wed, 16 Mar 2022 15:53:00 -0500
Subject: [PATCH 0112/2654] Adding mesh definition checks requested by
 @eepeterson

---
 openmc/weight_windows.py | 54 ++++++++++++++++++++++++----------------
 1 file changed, 32 insertions(+), 22 deletions(-)

diff --git a/openmc/weight_windows.py b/openmc/weight_windows.py
index 4ba35bd91..f4c53470b 100644
--- a/openmc/weight_windows.py
+++ b/openmc/weight_windows.py
@@ -483,16 +483,18 @@ def wwinp_to_wws(path):
     # extract mesh data from the ww_data array
     start_idx = 0
 
+    # first values in the mesh definition arrays are the first
+    # coordinate of the grid
     end_idx = start_idx + 1 + 3 * ncx
-    x_vals = ww_data[start_idx:end_idx]
+    x0, x_vals = ww_data[start_idx], ww_data[start_idx+1:end_idx]
     start_idx = end_idx
 
     end_idx = start_idx + 1 + 3 * ncy
-    y_vals = ww_data[start_idx:end_idx]
+    y0, y_vals = ww_data[start_idx], ww_data[start_idx+1:end_idx]
     start_idx = end_idx
 
     end_idx = start_idx + 1 + 3 * ncz
-    z_vals = ww_data[start_idx:end_idx]
+    z0, z_vals = ww_data[start_idx], ww_data[start_idx+1:end_idx]
     start_idx = end_idx
 
     # mesh consistency checks
@@ -500,10 +502,35 @@ def wwinp_to_wws(path):
         raise ValueError(f'Mesh description in header ({nr}) '
                          f'does not match the mesh type ({nwg})')
 
-    if not (xyz0 == (x_vals[0], y_vals[0], z_vals[0])).all():
+    if not (xyz0 == (x0, y0, z0)).all():
         raise ValueError(f'Mesh origin in the header ({xyz0}) '
                          f' does not match the origin in the mesh '
-                         f' description ({x_vals[0], y_vals[0], z_vals[0]})')
+                         f' description ({x0, y0, z0})')
+
+    # create openmc mesh object
+    grids = []
+    mesh_definition = [(x0, x_vals, nfx), (y0, y_vals, nfy), (z0, z_vals, nfz)]
+    for grid0, grid_vals, n_pnts in mesh_definition:
+        # file spec checks for the mesh definition
+        if not all(grid_vals[2::3] == 1.0):
+            raise ValueError('One or more mesh ratio value, qx, '
+                             'is not equal to one')
+
+        if np.sum(grid_vals[::3]) != n_pnts:
+            raise ValueError('Sum of the fine bin entries, s, does '
+                             'not match the number of fine bins')
+
+        # extend the grid based on the next coarse bin endpoint, px
+        # and the number of fine bins in the coarse bin, sx
+        intervals = grid_vals.reshape(-1, 3)
+        coords = [grid0]
+        for sx, px, qx in intervals:
+            coords += list(np.linspace(coords[-1], px, int(sx + 1)))[1:]
+
+        grids.append(np.array(coords))
+
+    mesh = RectilinearMesh()
+    mesh.x_grid, mesh.y_grid, mesh.z_grid = grids
 
     # extract weight window values from array
     particle_types = {0: 'neutron', 1: 'photon'}
@@ -544,23 +571,6 @@ def wwinp_to_wws(path):
                          'ww_values': ww_values}
         particle_data.append(particle_dict)
 
-    # create openmc mesh object
-    grids = []
-    for grid_info in [x_vals, y_vals, z_vals]:
-        # first value is the start of the grid
-        coords = [grid_info[0]]
-
-        # extend the grid based on the next coarse bin endpoint, px
-        # and the number of fine bins in the coarse bin, sx
-        intervals = grid_info[1:].reshape(-1, 3)
-        for sx, px, qx in intervals:
-            coords += list(np.linspace(coords[-1], px, int(sx + 1)))[1:]
-
-        grids.append(np.asarray(coords))
-
-    mesh = RectilinearMesh()
-    mesh.x_grid, mesh.y_grid, mesh.z_grid = grids
-
     # create openmc weight window objects
     wws = []
     for data in particle_data:

From b0a4871710ad28720dc1b73301844fecf57104a2 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Wed, 16 Mar 2022 22:51:47 -0500
Subject: [PATCH 0113/2654] Apply suggestions from @paulromano

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/weight_windows.py                            | 10 +++++-----
 tests/unit_tests/weightwindows/test_wwinp_reader.py |  2 +-
 2 files changed, 6 insertions(+), 6 deletions(-)

diff --git a/openmc/weight_windows.py b/openmc/weight_windows.py
index f4c53470b..c820f3a41 100644
--- a/openmc/weight_windows.py
+++ b/openmc/weight_windows.py
@@ -452,14 +452,14 @@ def wwinp_to_wws(path):
 
         # read coarse mesh dimensions and lower left corner
         mesh_description = np.fromstring(wwinp.readline(), sep=' ')
-        nfx, nfy, nfz = [int(x) for x in mesh_description[:3]]
+        nfx, nfy, nfz = mesh_description[:3].astype(int)
         xyz0 = mesh_description[3:]
 
         # read cylindrical and spherical mesh vectors if present
         if nr == 16:
             # read number of coarse bins
             line_arr = np.fromstring(wwinp.readline(), sep=' ')
-            ncx, ncy, ncz = [int(x) for x in line_arr[:3]]
+            ncx, ncy, ncz = line_arr[:3].astype(int)
             # read polar vector (x1, y1, z1)
             xyz1 = line_arr[3:] - xyz0
             polar_vec = xyz1 / np.linalg.norm(xyz1)
@@ -502,7 +502,7 @@ def wwinp_to_wws(path):
         raise ValueError(f'Mesh description in header ({nr}) '
                          f'does not match the mesh type ({nwg})')
 
-    if not (xyz0 == (x0, y0, z0)).all():
+    if (xyz0 != (x0, y0, z0)).any():
         raise ValueError(f'Mesh origin in the header ({xyz0}) '
                          f' does not match the origin in the mesh '
                          f' description ({x0, y0, z0})')
@@ -512,11 +512,11 @@ def wwinp_to_wws(path):
     mesh_definition = [(x0, x_vals, nfx), (y0, y_vals, nfy), (z0, z_vals, nfz)]
     for grid0, grid_vals, n_pnts in mesh_definition:
         # file spec checks for the mesh definition
-        if not all(grid_vals[2::3] == 1.0):
+        if (grid_vals[2::3] != 1.0).any():
             raise ValueError('One or more mesh ratio value, qx, '
                              'is not equal to one')
 
-        if np.sum(grid_vals[::3]) != n_pnts:
+        if grid_vals[::3].sum() != n_pnts:
             raise ValueError('Sum of the fine bin entries, s, does '
                              'not match the number of fine bins')
 
diff --git a/tests/unit_tests/weightwindows/test_wwinp_reader.py b/tests/unit_tests/weightwindows/test_wwinp_reader.py
index 9aeaa9f59..434a36753 100644
--- a/tests/unit_tests/weightwindows/test_wwinp_reader.py
+++ b/tests/unit_tests/weightwindows/test_wwinp_reader.py
@@ -1,6 +1,6 @@
-import numpy as np
 from pathlib import Path
 
+import numpy as np
 import openmc
 import pytest
 

From a86c4720954cf34d00a6d6596bb4a9f0a7c03dec Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Wed, 16 Mar 2022 22:56:44 -0500
Subject: [PATCH 0114/2654] Replacing comprehension with numpy call

---
 openmc/weight_windows.py | 20 ++++++--------------
 1 file changed, 6 insertions(+), 14 deletions(-)

diff --git a/openmc/weight_windows.py b/openmc/weight_windows.py
index c820f3a41..499772bcf 100644
--- a/openmc/weight_windows.py
+++ b/openmc/weight_windows.py
@@ -473,7 +473,7 @@ def wwinp_to_wws(path):
             # read rectilinear data:
             # number of coarse mesh bins and mesh type
             ncx, ncy, ncz, nwg = \
-                [int(x) for x in np.fromstring(wwinp.readline(), sep=' ')]
+                np.fromstring(wwinp.readline(), sep=' ').astype(int)
         else:
             raise RuntimeError(f'Invalid mesh description (nr) found: {nr}')
 
@@ -534,7 +534,7 @@ def wwinp_to_wws(path):
 
     # extract weight window values from array
     particle_types = {0: 'neutron', 1: 'photon'}
-    particle_data = []
+    wws = []
     for p in range(ni):
         # no information to read for this particle if
         # either the energy bins or time bins are empty
@@ -565,21 +565,13 @@ def wwinp_to_wws(path):
         ww_values = np.swapaxes(ww_values, 2, 0)
         start_idx = end_idx
 
-        # gather particle data in container
-        particle_dict = {'particle': particle_types[p],
-                         'energy_bounds': energy_bounds,
-                         'ww_values': ww_values}
-        particle_data.append(particle_dict)
-
-    # create openmc weight window objects
-    wws = []
-    for data in particle_data:
+        # create a weight window object
         ww = WeightWindows(id=None,
                            mesh=mesh,
-                           lower_ww_bounds=data['ww_values'],
+                           lower_ww_bounds=ww_values,
                            upper_bound_ratio=5.0,
-                           energy_bounds=data['energy_bounds'],
-                           particle_type=data['particle'])
+                           energy_bounds=energy_bounds,
+                           particle_type=particle_types[p])
         wws.append(ww)
 
     return wws

From faa142c78d590a3bf27d39f816c670bf5244f182 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 17 Mar 2022 09:20:37 -0500
Subject: [PATCH 0115/2654] Apply suggestions from @eepeterson

Co-authored-by: Ethan Peterson <ethan.peterson@mit.edu>
---
 openmc/weight_windows.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/weight_windows.py b/openmc/weight_windows.py
index 499772bcf..f7963628d 100644
--- a/openmc/weight_windows.py
+++ b/openmc/weight_windows.py
@@ -525,7 +525,7 @@ def wwinp_to_wws(path):
         intervals = grid_vals.reshape(-1, 3)
         coords = [grid0]
         for sx, px, qx in intervals:
-            coords += list(np.linspace(coords[-1], px, int(sx + 1)))[1:]
+            coords += np.linspace(coords[-1], px, int(sx + 1)).tolist()[1:]
 
         grids.append(np.array(coords))
 

From 2ab0e23bc6efe37a62d10d9ba1140e608ef1b686 Mon Sep 17 00:00:00 2001
From: Kalin Kiesling <krkiesling@gmail.com>
Date: Thu, 17 Mar 2022 10:10:49 -0500
Subject: [PATCH 0116/2654] Apply suggestions from code review - remove check
 for xtl

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 CMakeLists.txt | 11 +----------
 1 file changed, 1 insertion(+), 10 deletions(-)

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 1d60861d3..151e8e5a9 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -77,12 +77,6 @@ if(xtensor_FOUND)
 else()
   message(STATUS "Did not find xtensor, will use submodule instead")
 endif()
-find_package(xtl QUIET NO_SYSTEM_ENVIRONMENT_PATH)
-if(xtl_FOUND)
-  message(STATUS "Found xtl: ${xtl_DIR} (version ${xtl_VERSION})")
-else()
-  message(STATUS "Did not find xtl, will use submodule instead")
-endif()
 find_package(gsl-lite QUIET NO_SYSTEM_ENVIRONMENT_PATH)
 if(gsl-lite_FOUND)
   message(STATUS "Found gsl-lite: ${gsl-lite_DIR} (version ${gsl-lite_VERSION})")
@@ -228,12 +222,9 @@ if (NOT (CMAKE_VERSION VERSION_LESS 3.13))
   cmake_policy(SET CMP0079 NEW)
 endif()
 
-if (NOT xtl_FOUND)
+if (NOT xtensor_FOUND)
   add_subdirectory(vendor/xtl)
   set(xtl_DIR ${CMAKE_CURRENT_BINARY_DIR}/vendor/xtl)
-endif()
-
-if (NOT xtensor_FOUND)
   add_subdirectory(vendor/xtensor)
 endif()
 

From ad10441659f3592df23a5c13cef048fcc4245fe9 Mon Sep 17 00:00:00 2001
From: Kalin Kiesling <krkiesling@gmail.com>
Date: Thu, 17 Mar 2022 10:18:15 -0500
Subject: [PATCH 0117/2654] different cases for linking pugixml depending on
 version

---
 CMakeLists.txt | 8 +++++++-
 1 file changed, 7 insertions(+), 1 deletion(-)

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 151e8e5a9..21e97f20b 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -437,7 +437,13 @@ endif()
 # target_link_libraries treats any arguments starting with - but not -l as
 # linker flags. Thus, we can pass both linker flags and libraries together.
 target_link_libraries(libopenmc ${ldflags} ${HDF5_LIBRARIES} ${HDF5_HL_LIBRARIES}
-                      pugixml::pugixml faddeeva xtensor gsl::gsl-lite-v1 fmt::fmt)
+                      faddeeva xtensor gsl::gsl-lite-v1 fmt::fmt)
+
+if(TARGET pugixml::pugixml)
+  target_link_libraries(libopenmc pugixml::pugixml)
+else()
+  target_link_libraries(libopenmc pugixml)
+endif()
 
 if(dagmc)
   target_compile_definitions(libopenmc PRIVATE DAGMC)

From b4274724f36df89691e6452877e35139d0a459f2 Mon Sep 17 00:00:00 2001
From: Kalin Kiesling <krkiesling@gmail.com>
Date: Thu, 17 Mar 2022 10:58:49 -0500
Subject: [PATCH 0118/2654] explicitly include xmanipulation header for
 xt::flip

---
 src/plot.cpp | 1 +
 1 file changed, 1 insertion(+)

diff --git a/src/plot.cpp b/src/plot.cpp
index c24a023f2..b012ed131 100644
--- a/src/plot.cpp
+++ b/src/plot.cpp
@@ -6,6 +6,7 @@
 #include <sstream>
 
 #include "xtensor/xview.hpp"
+#include "xtensor/xmanipulation.hpp"
 #include <fmt/core.h>
 #include <fmt/ostream.h>
 #ifdef USE_LIBPNG

From ea551e3312838f73eca5eb3d1cc7b689e37dc279 Mon Sep 17 00:00:00 2001
From: Kalin Kiesling <krkiesling@gmail.com>
Date: Thu, 17 Mar 2022 16:05:47 -0500
Subject: [PATCH 0119/2654] update versions of xtl and xtensor in vectfit ci
 build script to be consistent with vendored versions

---
 tools/ci/gha-install-vectfit.sh | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/tools/ci/gha-install-vectfit.sh b/tools/ci/gha-install-vectfit.sh
index 343942e03..5884c6fac 100755
--- a/tools/ci/gha-install-vectfit.sh
+++ b/tools/ci/gha-install-vectfit.sh
@@ -4,10 +4,10 @@ set -ex
 PYBIND_BRANCH='master'
 PYBIND_REPO='https://github.com/pybind/pybind11'
 
-XTL_BRANCH='0.6.9'
+XTL_BRANCH='0.6.13'
 XTL_REPO='https://github.com/xtensor-stack/xtl'
 
-XTENSOR_BRANCH='0.21.2'
+XTENSOR_BRANCH='0.21.3'
 XTENSOR_REPO='https://github.com/xtensor-stack/xtensor'
 
 XTENSOR_PYTHON_BRANCH='0.24.1'

From cfd6baf5ad4bbdfc6002914cbfbed4e9af16e170 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 17 Mar 2022 21:44:34 -0500
Subject: [PATCH 0120/2654] Apply suggestions from @paulromano

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/weight_windows.py | 3 +--
 1 file changed, 1 insertion(+), 2 deletions(-)

diff --git a/openmc/weight_windows.py b/openmc/weight_windows.py
index f7963628d..cbc807d06 100644
--- a/openmc/weight_windows.py
+++ b/openmc/weight_windows.py
@@ -533,9 +533,8 @@ def wwinp_to_wws(path):
     mesh.x_grid, mesh.y_grid, mesh.z_grid = grids
 
     # extract weight window values from array
-    particle_types = {0: 'neutron', 1: 'photon'}
     wws = []
-    for p in range(ni):
+    for ne_i, nt_i, particle_type in zip(ne, nt, ('neutron', 'photon')):
         # no information to read for this particle if
         # either the energy bins or time bins are empty
         if ne[p] == 0 or nt[p] == 0:

From c53c60fd6196fbdf3f721bd3454794a6cdccc3f6 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 17 Mar 2022 21:47:40 -0500
Subject: [PATCH 0121/2654] Updating variables in loop

---
 openmc/weight_windows.py | 12 ++++++------
 1 file changed, 6 insertions(+), 6 deletions(-)

diff --git a/openmc/weight_windows.py b/openmc/weight_windows.py
index cbc807d06..fbd3c84ac 100644
--- a/openmc/weight_windows.py
+++ b/openmc/weight_windows.py
@@ -537,29 +537,29 @@ def wwinp_to_wws(path):
     for ne_i, nt_i, particle_type in zip(ne, nt, ('neutron', 'photon')):
         # no information to read for this particle if
         # either the energy bins or time bins are empty
-        if ne[p] == 0 or nt[p] == 0:
+        if ne_i == 0 or nt_i == 0:
             continue
 
         if iv > 1:
             # time bins are parsed but unused for now
-            end_idx = start_idx + nt[p]
+            end_idx = start_idx + nt_i
             time_bounds = ww_data[start_idx:end_idx]
             np.insert(time_bounds, (0,), (0.0,))
             start_idx = end_idx
 
         # read energy boundaries
-        end_idx = start_idx + ne[p]
+        end_idx = start_idx + ne_i
         energy_bounds = np.insert(ww_data[start_idx:end_idx], (0,), (0.0,))
         # convert from MeV to eV
         energy_bounds *= 1e6
         start_idx = end_idx
 
         # read weight window values
-        end_idx = start_idx + (nfx * nfy * nfz) * nt[p] * ne[p]
+        end_idx = start_idx + (nfx * nfy * nfz) * nt_i * ne_i
 
         # read values and reshape according to ordering
         # slowest to fastest: z, y, x, e
-        ww_values = ww_data[start_idx:end_idx].reshape(nfz, nfy, nfx, ne[p])
+        ww_values = ww_data[start_idx:end_idx].reshape(nfz, nfy, nfx, ne_i)
         # swap z and x axes for correct shape and (ijk, e) mesh indexing
         ww_values = np.swapaxes(ww_values, 2, 0)
         start_idx = end_idx
@@ -570,7 +570,7 @@ def wwinp_to_wws(path):
                            lower_ww_bounds=ww_values,
                            upper_bound_ratio=5.0,
                            energy_bounds=energy_bounds,
-                           particle_type=particle_types[p])
+                           particle_type=particle_type)
         wws.append(ww)
 
     return wws

From d39642136a4d1f7bff984dbae55d9e9bde270214 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 17 Mar 2022 22:03:10 -0500
Subject: [PATCH 0122/2654] Use macro in CMakeLists.txt to simplify dependency
 finding

---
 CMakeLists.txt | 51 +++++++++++++++++++++-----------------------------
 1 file changed, 21 insertions(+), 30 deletions(-)

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 21e97f20b..81ef0c9d2 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -43,9 +43,23 @@ if(${CMAKE_CXX_COMPILER} MATCHES "(mpi[^/]*|CC)$")
   set(MPI_ENABLED TRUE)
 endif()
 
+#===============================================================================
+# Helper macro for finding a dependency
+#===============================================================================
+
+macro(find_package_write_status pkg)
+  find_package(${pkg} QUIET NO_SYSTEM_ENVIRONMENT_PATH)
+  if(${pkg}_FOUND)
+    message(STATUS "Found ${pkg}: ${${pkg}_DIR} (version ${${pkg}_VERSION})")
+  else()
+    message(STATUS "Did not find ${pkg}, will use submodule instead")
+  endif()
+endmacro()
+
 #===============================================================================
 # DAGMC Geometry Support - need DAGMC/MOAB
 #===============================================================================
+
 if(dagmc)
   find_package(DAGMC REQUIRED PATH_SUFFIXES lib/cmake)
   if (${DAGMC_VERSION} VERSION_LESS 3.2.0)
@@ -54,38 +68,10 @@ if(dagmc)
   endif()
 endif()
 
-#===============================================================================
-# Check for submodules perhaps already on system
-#===============================================================================
-
-# If not found, we just pull appropriate versions from github and build them.
-find_package(fmt QUIET NO_SYSTEM_ENVIRONMENT_PATH)
-if(fmt_FOUND)
-  message(STATUS "Found fmt: ${fmt_DIR} (version ${fmt_VERSION})")
-else()
-  message(STATUS "Did not find fmt, will use submodule instead")
-endif()
-find_package(pugixml QUIET NO_SYSTEM_ENVIRONMENT_PATH)
-if(pugixml_FOUND)
-  message(STATUS "Found pugixml: ${pugixml_DIR}")
-else()
-  message(STATUS "Did not find pugixml, will use submodule instead")
-endif()
-find_package(xtensor QUIET NO_SYSTEM_ENVIRONMENT_PATH)
-if(xtensor_FOUND)
-  message(STATUS "Found xtensor: ${xtensor_DIR} (version ${xtensor_VERSION})")
-else()
-  message(STATUS "Did not find xtensor, will use submodule instead")
-endif()
-find_package(gsl-lite QUIET NO_SYSTEM_ENVIRONMENT_PATH)
-if(gsl-lite_FOUND)
-  message(STATUS "Found gsl-lite: ${gsl-lite_DIR} (version ${gsl-lite_VERSION})")
-else()
-  message(STATUS "Did not find gsl-lite, will use submodule instead")
-endif()
 #===============================================================================
 # libMesh Unstructured Mesh Support
 #===============================================================================
+
 if(libmesh)
   find_package(LIBMESH REQUIRED)
 endif()
@@ -93,6 +79,7 @@ endif()
 #===============================================================================
 # libpng
 #===============================================================================
+
 find_package(PNG)
 
 #===============================================================================
@@ -137,9 +124,9 @@ endif()
 if(NOT MSVC)
 
 if(openmp)
-  # Requires CMake 3.1+
   find_package(OpenMP)
   if(OPENMP_FOUND)
+    # In CMake 3.9+, can use the OpenMP::OpenMP_CXX imported target
     list(APPEND cxxflags ${OpenMP_CXX_FLAGS})
     list(APPEND ldflags ${OpenMP_CXX_FLAGS})
   endif()
@@ -199,6 +186,7 @@ endif()
 # pugixml library
 #===============================================================================
 
+find_package_write_status(pugixml)
 if (NOT pugixml_FOUND)
   add_subdirectory(vendor/pugixml)
   set_target_properties(pugixml PROPERTIES CXX_STANDARD 14 CXX_EXTENSIONS OFF)
@@ -208,6 +196,7 @@ endif()
 # {fmt} library
 #===============================================================================
 
+find_package_write_status(fmt)
 if (NOT fmt_FOUND)
   set(FMT_INSTALL ON CACHE BOOL "Generate the install target.")
   add_subdirectory(vendor/fmt)
@@ -222,6 +211,7 @@ if (NOT (CMAKE_VERSION VERSION_LESS 3.13))
   cmake_policy(SET CMP0079 NEW)
 endif()
 
+find_package_write_status(xtensor)
 if (NOT xtensor_FOUND)
   add_subdirectory(vendor/xtl)
   set(xtl_DIR ${CMAKE_CURRENT_BINARY_DIR}/vendor/xtl)
@@ -232,6 +222,7 @@ endif()
 # GSL header-only library
 #===============================================================================
 
+find_package_write_status(gsl-lite)
 if (NOT gsl-lite_FOUND)
   add_subdirectory(vendor/gsl-lite)
 

From 78885ce17c562a06d41d1374c96147d4965614e0 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 17 Mar 2022 22:26:26 -0500
Subject: [PATCH 0123/2654] Add wwinp_to_wws to documentation

---
 docs/source/pythonapi/base.rst | 3 +--
 openmc/weight_windows.py       | 2 +-
 2 files changed, 2 insertions(+), 3 deletions(-)

diff --git a/docs/source/pythonapi/base.rst b/docs/source/pythonapi/base.rst
index 721f3d113..b471d12a8 100644
--- a/docs/source/pythonapi/base.rst
+++ b/docs/source/pythonapi/base.rst
@@ -27,14 +27,13 @@ Simulation Settings
    openmc.WeightWindows
    openmc.Settings
 
-The following function can be used for generating a source file:
-
 .. autosummary::
    :toctree: generated
    :nosignatures:
    :template: myfunction.rst
 
    openmc.write_source_file
+   openmc.wwinp_to_wws
 
 Material Specification
 ----------------------
diff --git a/openmc/weight_windows.py b/openmc/weight_windows.py
index fbd3c84ac..2e5b7d8e0 100644
--- a/openmc/weight_windows.py
+++ b/openmc/weight_windows.py
@@ -413,7 +413,7 @@ def wwinp_to_wws(path):
 
     Parameters
     ----------
-    path : str or pathlib.Path object
+    path : str or pathlib.Path
         Path to the wwinp file
 
     Returns

From 32da4f2504967c985f074cfe430e4a56fac2b995 Mon Sep 17 00:00:00 2001
From: Kalin Kiesling <krkiesling@gmail.com>
Date: Mon, 21 Mar 2022 14:07:03 -0500
Subject: [PATCH 0124/2654] remove optimize and debug build options because
 they are redudant w/ cmake_build_type

---
 CMakeLists.txt | 15 +++++----------
 1 file changed, 5 insertions(+), 10 deletions(-)

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 81ef0c9d2..a047cc9a6 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -27,12 +27,12 @@ endif()
 
 option(openmp   "Enable shared-memory parallelism with OpenMP"         ON)
 option(profile  "Compile with profiling flags"                         OFF)
-option(debug    "Compile with debug flags"                             OFF)
-option(optimize "Turn on all compiler optimization flags"              OFF)
 option(coverage "Compile with coverage analysis flags"                 OFF)
 option(dagmc    "Enable support for DAGMC (CAD) geometry"              OFF)
 option(libmesh  "Enable support for libMesh unstructured mesh tallies" OFF)
 
+message(STATUS "Build type: ${CMAKE_BUILD_TYPE}")
+
 #===============================================================================
 # MPI for distributed-memory parallelism
 #===============================================================================
@@ -134,18 +134,13 @@ endif()
 
 set(CMAKE_POSITION_INDEPENDENT_CODE ON)
 
-list(APPEND cxxflags -O2)
-if(debug)
-  list(REMOVE_ITEM cxxflags -O2)
-  list(APPEND cxxflags -g -O0)
+if (NOT ${CMAKE_BUILD_TYPE})
+   add_compile_options(-O2)
 endif()
+
 if(profile)
   list(APPEND cxxflags -g -fno-omit-frame-pointer)
 endif()
-if(optimize)
-  list(REMOVE_ITEM cxxflags -O2)
-  list(APPEND cxxflags -O3)
-endif()
 if(coverage)
   list(APPEND cxxflags --coverage)
   list(APPEND ldflags --coverage)

From fcf25b5aba599c372eeeeb44570ddbdd017f63e2 Mon Sep 17 00:00:00 2001
From: Kalin Kiesling <krkiesling@gmail.com>
Date: Mon, 21 Mar 2022 15:39:31 -0500
Subject: [PATCH 0125/2654] set default build configuration to release

---
 CMakeLists.txt | 12 +++++++-----
 1 file changed, 7 insertions(+), 5 deletions(-)

diff --git a/CMakeLists.txt b/CMakeLists.txt
index a047cc9a6..27a8f06ad 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -31,7 +31,13 @@ option(coverage "Compile with coverage analysis flags"                 OFF)
 option(dagmc    "Enable support for DAGMC (CAD) geometry"              OFF)
 option(libmesh  "Enable support for libMesh unstructured mesh tallies" OFF)
 
-message(STATUS "Build type: ${CMAKE_BUILD_TYPE}")
+#===============================================================================
+# Set build configuration to Release if not set
+#===============================================================================
+
+if (NOT CMAKE_BUILD_TYPE)
+    set(CMAKE_BUILD_TYPE Release)
+endif()
 
 #===============================================================================
 # MPI for distributed-memory parallelism
@@ -134,10 +140,6 @@ endif()
 
 set(CMAKE_POSITION_INDEPENDENT_CODE ON)
 
-if (NOT ${CMAKE_BUILD_TYPE})
-   add_compile_options(-O2)
-endif()
-
 if(profile)
   list(APPEND cxxflags -g -fno-omit-frame-pointer)
 endif()

From 0655e7392960758efa2791c80a245620b4590bb1 Mon Sep 17 00:00:00 2001
From: Kalin Kiesling <krkiesling@gmail.com>
Date: Mon, 21 Mar 2022 15:51:19 -0500
Subject: [PATCH 0126/2654] removed debug and optimize options from install
 docs

---
 docs/source/usersguide/install.rst | 12 ++----------
 1 file changed, 2 insertions(+), 10 deletions(-)

diff --git a/docs/source/usersguide/install.rst b/docs/source/usersguide/install.rst
index fb721c7ce..ebcd20eb4 100644
--- a/docs/source/usersguide/install.rst
+++ b/docs/source/usersguide/install.rst
@@ -331,17 +331,9 @@ CMakeLists.txt Options
 
 The following options are available in the CMakeLists.txt file:
 
-debug
-  Enables debugging when compiling. The flags added are dependent on which
-  compiler is used.
-
 profile
   Enables profiling using the GNU profiler, gprof.
 
-optimize
-  Enables high-optimization using compiler-dependent flags. For gcc and
-  Intel C++, this compiles with -O3.
-
 openmp
   Enables shared-memory parallelism using the OpenMP API. The C++ compiler
   being used must support OpenMP. (Default: on)
@@ -360,12 +352,12 @@ coverage
   Compile and link code instrumented for coverage analysis. This is typically
   used in conjunction with gcov_.
 
-To set any of these options (e.g. turning on debug mode), the following form
+To set any of these options (e.g. turning on profiling), the following form
 should be used:
 
 .. code-block:: sh
 
-    cmake -Ddebug=on /path/to/openmc
+    cmake -Dprofile=on /path/to/openmc
 
 .. _gcov: https://gcc.gnu.org/onlinedocs/gcc/Gcov.html
 

From 733604216a161061cd6c7a13e16f2476b6f6e21f Mon Sep 17 00:00:00 2001
From: Kalin Kiesling <krkiesling@gmail.com>
Date: Mon, 21 Mar 2022 15:53:53 -0500
Subject: [PATCH 0127/2654] removed optimize and debug from dockerfile

---
 Dockerfile | 8 --------
 1 file changed, 8 deletions(-)

diff --git a/Dockerfile b/Dockerfile
index 367777b6e..dc7d25f6c 100644
--- a/Dockerfile
+++ b/Dockerfile
@@ -179,8 +179,6 @@ RUN mkdir -p ${HOME}/OpenMC && cd ${HOME}/OpenMC \
     && mkdir build && cd build ; \
     if [ ${build_dagmc} = "on" ] && [ ${build_libmesh} = "on" ]; then \
         cmake ../openmc \
-            -Doptimize=off \
-            -Ddebug=off \
             -DHDF5_PREFER_PARALLEL=on \
             -Ddagmc=on \
             -Dlibmesh=on \
@@ -188,24 +186,18 @@ RUN mkdir -p ${HOME}/OpenMC && cd ${HOME}/OpenMC \
     fi ; \
     if [ ${build_dagmc} = "on" ] && [ ${build_libmesh} = "off" ]; then \
         cmake ../openmc \
-            -Doptimize=off \
-            -Ddebug=off \
             -DHDF5_PREFER_PARALLEL=on \
             -Ddagmc=ON \
             -DCMAKE_PREFIX_PATH=${DAGMC_INSTALL_DIR} ; \
     fi ; \
     if [ ${build_dagmc} = "off" ] && [ ${build_libmesh} = "on" ]; then \
         cmake ../openmc \
-            -Doptimize=off \
-            -Ddebug=off \
             -DHDF5_PREFER_PARALLEL=on \
             -Dlibmesh=on \
             -DCMAKE_PREFIX_PATH=${LIBMESH_INSTALL_DIR} ; \
     fi ; \
     if [ ${build_dagmc} = "off" ] && [ ${build_libmesh} = "off" ]; then \
         cmake ../openmc \
-            -Doptimize=off \
-            -Ddebug=off \
             -DHDF5_PREFER_PARALLEL=on ; \
     fi ; \
     make 2>/dev/null -j${compile_cores} install \

From 643749a0a0c33addbc92bf12db41d09d4a4775e0 Mon Sep 17 00:00:00 2001
From: Kalin Kiesling <krkiesling@gmail.com>
Date: Mon, 21 Mar 2022 15:56:27 -0500
Subject: [PATCH 0128/2654] specify debug with cmake_build_type

---
 tools/ci/gha-install.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/tools/ci/gha-install.py b/tools/ci/gha-install.py
index 9c163c1dc..f22a74410 100644
--- a/tools/ci/gha-install.py
+++ b/tools/ci/gha-install.py
@@ -26,7 +26,7 @@ def install(omp=False, mpi=False, phdf5=False, dagmc=False, libmesh=False):
     os.chdir('build')
 
     # Build in debug mode by default
-    cmake_cmd = ['cmake', '-Ddebug=on']
+    cmake_cmd = ['cmake', '-DCMAKE_BUILD_TYPE=Debug']
 
     # Turn off OpenMP if specified
     if not omp:

From dc18f59d828f1b77a29a9121d1586a482d4954d6 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 22 Mar 2022 06:53:47 -0500
Subject: [PATCH 0129/2654] Allow user to override num processes used for
 depletion

---
 docs/source/pythonapi/deplete.rst | 6 ++++++
 openmc/deplete/pool.py            | 6 +++++-
 2 files changed, 11 insertions(+), 1 deletion(-)

diff --git a/docs/source/pythonapi/deplete.rst b/docs/source/pythonapi/deplete.rst
index d4a0f128f..383268f8b 100644
--- a/docs/source/pythonapi/deplete.rst
+++ b/docs/source/pythonapi/deplete.rst
@@ -166,6 +166,12 @@ with :func:`cram.CRAM48` being the default.
 
    :type: bool
 
+.. data:: pool.NUM_PROCESSES
+
+   Number of worker processes used for depletion calculations, which rely on the
+   :class:`multiprocessing.pool.Pool` class. If set to ``None`` (default), the
+   number returned by :func:`os.cpu_count` is used.
+
 The following classes are used to help the :class:`openmc.deplete.Operator`
 compute quantities like effective fission yields, reaction rates, and
 total system energy.
diff --git a/openmc/deplete/pool.py b/openmc/deplete/pool.py
index 8360ef602..a3d37f79f 100644
--- a/openmc/deplete/pool.py
+++ b/openmc/deplete/pool.py
@@ -10,6 +10,10 @@ from multiprocessing import Pool
 # multiprocessing routines during depletion
 USE_MULTIPROCESSING = True
 
+# Allow user to override the number of worker processes to use for depletion
+# calculations
+NUM_PROCESSES = None
+
 
 def deplete(func, chain, x, rates, dt, matrix_func=None):
     """Deplete materials using given reaction rates for a specified time
@@ -58,7 +62,7 @@ def deplete(func, chain, x, rates, dt, matrix_func=None):
     inputs = zip(matrices, x, repeat(dt))
 
     if USE_MULTIPROCESSING:
-        with Pool() as pool:
+        with Pool(NUM_PROCESSES) as pool:
             x_result = list(pool.starmap(func, inputs))
     else:
         x_result = list(starmap(func, inputs))

From 97bec2838031cf874a5f1fa6175c922dd0384b8b Mon Sep 17 00:00:00 2001
From: Kalin Kiesling <krkiesling@gmail.com>
Date: Tue, 22 Mar 2022 10:02:04 -0500
Subject: [PATCH 0130/2654] set default build with cache variable

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 CMakeLists.txt | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 27a8f06ad..6a0066dc6 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -36,7 +36,7 @@ option(libmesh  "Enable support for libMesh unstructured mesh tallies" OFF)
 #===============================================================================
 
 if (NOT CMAKE_BUILD_TYPE)
-    set(CMAKE_BUILD_TYPE Release)
+    set(CMAKE_BUILD_TYPE RelWithDebInfo CACHE STRING "Choose the type of build" FORCE)
 endif()
 
 #===============================================================================

From d24c1805927254d7964f614c48f8bdb182da7bc3 Mon Sep 17 00:00:00 2001
From: Kalin Kiesling <krkiesling@gmail.com>
Date: Tue, 22 Mar 2022 10:46:34 -0500
Subject: [PATCH 0131/2654] update scripts with new cmake flag names

---
 CMakeLists.txt          | 24 ++++++++++++------------
 Dockerfile              |  8 ++++----
 tools/ci/gha-install.py |  8 ++++----
 3 files changed, 20 insertions(+), 20 deletions(-)

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 6a0066dc6..168309de8 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -25,11 +25,11 @@ endif()
 # Command line options
 #===============================================================================
 
-option(openmp   "Enable shared-memory parallelism with OpenMP"         ON)
-option(profile  "Compile with profiling flags"                         OFF)
-option(coverage "Compile with coverage analysis flags"                 OFF)
-option(dagmc    "Enable support for DAGMC (CAD) geometry"              OFF)
-option(libmesh  "Enable support for libMesh unstructured mesh tallies" OFF)
+option(OPENMC_ENABLE_PROFILE  "Enable shared-memory parallelism with OpenMP"         ON)
+option(OPENMC_ENABLE_COVERAGE "Compile with profiling flags"                         OFF)
+option(OPENMC_USE_OPENMP      "Compile with coverage analysis flags"                 OFF)
+option(OPENMC_USE_DAGMC       "Enable support for DAGMC (CAD) geometry"              OFF)
+option(OPENMC_USE_LIBMESH     "Enable support for libMesh unstructured mesh tallies" OFF)
 
 #===============================================================================
 # Set build configuration to Release if not set
@@ -66,7 +66,7 @@ endmacro()
 # DAGMC Geometry Support - need DAGMC/MOAB
 #===============================================================================
 
-if(dagmc)
+if(OPENMC_USE_DAGMC)
   find_package(DAGMC REQUIRED PATH_SUFFIXES lib/cmake)
   if (${DAGMC_VERSION} VERSION_LESS 3.2.0)
     message(FATAL_ERROR "Discovered DAGMC Version: ${DAGMC_VERSION}. \
@@ -78,7 +78,7 @@ endif()
 # libMesh Unstructured Mesh Support
 #===============================================================================
 
-if(libmesh)
+if(OPENMC_USE_LIBMESH)
   find_package(LIBMESH REQUIRED)
 endif()
 
@@ -129,7 +129,7 @@ endif()
 # Skip for Visual Studio which has its own configurations through GUI
 if(NOT MSVC)
 
-if(openmp)
+if(OPENMC_USE_OPENMP)
   find_package(OpenMP)
   if(OPENMP_FOUND)
     # In CMake 3.9+, can use the OpenMP::OpenMP_CXX imported target
@@ -140,10 +140,10 @@ endif()
 
 set(CMAKE_POSITION_INDEPENDENT_CODE ON)
 
-if(profile)
+if(OPENMC_ENABLE_PROFILE)
   list(APPEND cxxflags -g -fno-omit-frame-pointer)
 endif()
-if(coverage)
+if(OPENMC_ENABLE_COVERAGE)
   list(APPEND cxxflags --coverage)
   list(APPEND ldflags --coverage)
 endif()
@@ -433,12 +433,12 @@ else()
   target_link_libraries(libopenmc pugixml)
 endif()
 
-if(dagmc)
+if(OPENMC_USE_DAGMC)
   target_compile_definitions(libopenmc PRIVATE DAGMC)
   target_link_libraries(libopenmc dagmc-shared uwuw-shared)
 endif()
 
-if(libmesh)
+if(OPENMC_USE_LIBMESH)
   target_compile_definitions(libopenmc PRIVATE LIBMESH)
   target_link_libraries(libopenmc PkgConfig::LIBMESH)
 endif()
diff --git a/Dockerfile b/Dockerfile
index dc7d25f6c..6a9b89009 100644
--- a/Dockerfile
+++ b/Dockerfile
@@ -180,20 +180,20 @@ RUN mkdir -p ${HOME}/OpenMC && cd ${HOME}/OpenMC \
     if [ ${build_dagmc} = "on" ] && [ ${build_libmesh} = "on" ]; then \
         cmake ../openmc \
             -DHDF5_PREFER_PARALLEL=on \
-            -Ddagmc=on \
-            -Dlibmesh=on \
+            -DOPENMC_USE_DAGMC=on \
+            -DOPENMC_USE_LIBMESH=on \
             -DCMAKE_PREFIX_PATH="${DAGMC_INSTALL_DIR};${LIBMESH_INSTALL_DIR}" ; \
     fi ; \
     if [ ${build_dagmc} = "on" ] && [ ${build_libmesh} = "off" ]; then \
         cmake ../openmc \
             -DHDF5_PREFER_PARALLEL=on \
-            -Ddagmc=ON \
+            -DOPENMC_USE_DAGMC=ON \
             -DCMAKE_PREFIX_PATH=${DAGMC_INSTALL_DIR} ; \
     fi ; \
     if [ ${build_dagmc} = "off" ] && [ ${build_libmesh} = "on" ]; then \
         cmake ../openmc \
             -DHDF5_PREFER_PARALLEL=on \
-            -Dlibmesh=on \
+            -DOPENMC_USE_LIBMESH=on \
             -DCMAKE_PREFIX_PATH=${LIBMESH_INSTALL_DIR} ; \
     fi ; \
     if [ ${build_dagmc} = "off" ] && [ ${build_libmesh} = "off" ]; then \
diff --git a/tools/ci/gha-install.py b/tools/ci/gha-install.py
index f22a74410..4cc85671d 100644
--- a/tools/ci/gha-install.py
+++ b/tools/ci/gha-install.py
@@ -30,7 +30,7 @@ def install(omp=False, mpi=False, phdf5=False, dagmc=False, libmesh=False):
 
     # Turn off OpenMP if specified
     if not omp:
-        cmake_cmd.append('-Dopenmp=off')
+        cmake_cmd.append('-DOPENMC_USE_OPENMP=off')
 
     # Use MPI wrappers when building in parallel
     if mpi:
@@ -46,16 +46,16 @@ def install(omp=False, mpi=False, phdf5=False, dagmc=False, libmesh=False):
         cmake_cmd.append('-DHDF5_PREFER_PARALLEL=OFF')
 
     if dagmc:
-        cmake_cmd.append('-Ddagmc=ON')
+        cmake_cmd.append('-DOPENMC_USE_DAGMC=ON')
         cmake_cmd.append('-DCMAKE_PREFIX_PATH=~/DAGMC')
 
     if libmesh:
-        cmake_cmd.append('-Dlibmesh=ON')
+        cmake_cmd.append('-DOPENMC_USE_LIBMESH=ON')
         libmesh_path = os.environ.get('HOME') + '/LIBMESH'
         cmake_cmd.append('-DCMAKE_PREFIX_PATH=' + libmesh_path)
 
     # Build in coverage mode for coverage testing
-    cmake_cmd.append('-Dcoverage=on')
+    cmake_cmd.append('-DOPENMC_ENABLE_COVERAGE=on')
 
     # Build and install
     cmake_cmd.append('..')

From 61ace1ab09ef6d1a2186dda663416c9699aa86b2 Mon Sep 17 00:00:00 2001
From: Kalin Kiesling <krkiesling@gmail.com>
Date: Tue, 22 Mar 2022 10:50:58 -0500
Subject: [PATCH 0132/2654] update documentation with new options names

---
 docs/source/usersguide/install.rst | 16 ++++++++--------
 1 file changed, 8 insertions(+), 8 deletions(-)

diff --git a/docs/source/usersguide/install.rst b/docs/source/usersguide/install.rst
index ebcd20eb4..7aa1fdcff 100644
--- a/docs/source/usersguide/install.rst
+++ b/docs/source/usersguide/install.rst
@@ -331,33 +331,33 @@ CMakeLists.txt Options
 
 The following options are available in the CMakeLists.txt file:
 
-profile
-  Enables profiling using the GNU profiler, gprof.
+OPENMC_ENABLE_PROFILE
+  Enables profiling using the GNU profiler, gprof. (Default: off)
 
-openmp
+OPENMC_USE_OPENMP
   Enables shared-memory parallelism using the OpenMP API. The C++ compiler
   being used must support OpenMP. (Default: on)
 
-dagmc
+OPENMC_USE_DAGMC
   Enables use of CAD-based DAGMC_ geometries and MOAB_ unstructured mesh
   tallies. Please see the note about DAGMC in the optional dependencies list
   for more information on this feature. The installation directory for DAGMC
   should also be defined as `DAGMC_ROOT` in the CMake configuration command.
   (Default: off)
 
-libmesh
+OPENMC_USE_LIBMESH
   Enables the use of unstructured mesh tallies with libMesh_. (Default: off)
 
-coverage
+OPENMC_ENABLE_COVERAGE
   Compile and link code instrumented for coverage analysis. This is typically
-  used in conjunction with gcov_.
+  used in conjunction with gcov_. (Default: off)
 
 To set any of these options (e.g. turning on profiling), the following form
 should be used:
 
 .. code-block:: sh
 
-    cmake -Dprofile=on /path/to/openmc
+    cmake -DOPENMC_ENABLE_PROFILE=on /path/to/openmc
 
 .. _gcov: https://gcc.gnu.org/onlinedocs/gcc/Gcov.html
 

From d118617e292762989a0960f4b0a6cef4dd28d6d2 Mon Sep 17 00:00:00 2001
From: Kalin Kiesling <krkiesling@gmail.com>
Date: Tue, 22 Mar 2022 11:09:25 -0500
Subject: [PATCH 0133/2654] added section on build types to install doc

---
 docs/source/usersguide/install.rst | 21 +++++++++++++++++++++
 1 file changed, 21 insertions(+)

diff --git a/docs/source/usersguide/install.rst b/docs/source/usersguide/install.rst
index 7aa1fdcff..d5b1c7e41 100644
--- a/docs/source/usersguide/install.rst
+++ b/docs/source/usersguide/install.rst
@@ -363,6 +363,27 @@ should be used:
 
 .. _usersguide_compile_mpi:
 
+Specifying the Build Type
++++++++++++++++++++++++++
+
+OpenMC can be configured for debug, release, or release with debug info by setting
+the `CMAKE_BUILD_TYPE` option.
+
+Debug
+  Enable debug compiler flags with no optimization `-O0 -g`.
+
+Release
+  Disable debug and enable optimization `-O3 -DNDEBUG`.
+
+RelWithDebInfo
+  (Default if no type is specified.) Enable optimization and debug `-O2 -g`.
+
+Example of configuring for Debug mode:
+
+.. code-block:: sh
+
+    cmake -DCMAKE_BUILD_TYPE=Debug /path/to/openmc
+
 Compiling with MPI
 ++++++++++++++++++
 

From 62bb9ebf990bf1062d6cf8f9137f535a1cbb0c44 Mon Sep 17 00:00:00 2001
From: Kalin Kiesling <krkiesling@gmail.com>
Date: Tue, 22 Mar 2022 13:23:02 -0500
Subject: [PATCH 0134/2654] corrected install options in cmake config

---
 cmake/OpenMCConfig.cmake.in | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/cmake/OpenMCConfig.cmake.in b/cmake/OpenMCConfig.cmake.in
index b12e95f23..8f7ae7193 100644
--- a/cmake/OpenMCConfig.cmake.in
+++ b/cmake/OpenMCConfig.cmake.in
@@ -5,11 +5,11 @@ find_package(gsl-lite REQUIRED HINTS ${OpenMC_CMAKE_DIR}/../gsl-lite)
 find_package(pugixml REQUIRED HINTS ${OpenMC_CMAKE_DIR}/../pugixml)
 find_package(xtl REQUIRED HINTS ${OpenMC_CMAKE_DIR}/../xtl)
 find_package(xtensor REQUIRED HINTS ${OpenMC_CMAKE_DIR}/../xtensor)
-if(@dagmc@)
+if(@OPENMC_USE_DAGMC@)
   find_package(DAGMC REQUIRED HINTS @DAGMC_DIR@)
 endif()
 
-if(@libmesh@)
+if(@OPENMC_USE_LIBMESH@)
   include(FindPkgConfig)
   list(APPEND CMAKE_PREFIX_PATH @LIBMESH_PREFIX@)
   set(PKG_CONFIG_USE_CMAKE_PREFIX_PATH True)

From 0e79264e7fb9e4e1b0c9fafb7b531c734cd2d493 Mon Sep 17 00:00:00 2001
From: Kalin Kiesling <krkiesling@gmail.com>
Date: Tue, 22 Mar 2022 13:27:40 -0500
Subject: [PATCH 0135/2654] corrected install docs with new dagmc and libmess
 flags

---
 docs/source/usersguide/install.rst | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/docs/source/usersguide/install.rst b/docs/source/usersguide/install.rst
index d5b1c7e41..dcf55948c 100644
--- a/docs/source/usersguide/install.rst
+++ b/docs/source/usersguide/install.rst
@@ -252,7 +252,7 @@ Prerequisites
       In addition to turning this option on, the path to the DAGMC installation
       should be specified as part of the ``CMAKE_PREFIX_PATH`` variable::
 
-          cmake -Ddagmc=on -DCMAKE_PREFIX_PATH=/path/to/dagmc/installation
+          cmake -DOPENMC_USE_DAGMC=on -DCMAKE_PREFIX_PATH=/path/to/dagmc/installation
 
     * libMesh_ mesh library framework for numerical simulations of partial differential equations
 
@@ -263,7 +263,7 @@ Prerequisites
       installation should be specified as part of the ``CMAKE_PREFIX_PATH``
       variable.::
 
-          CXX=mpicxx cmake -Dlibmesh=on -DCMAKE_PREFIX_PATH=/path/to/libmesh/installation
+          CXX=mpicxx cmake -DOPENMC_USE_LIBMESH=on -DCMAKE_PREFIX_PATH=/path/to/libmesh/installation
 
       Note that libMesh is most commonly compiled with MPI support. If that
       is the case, then OpenMC should be compiled with MPI support as well.

From 3f2d85cad331f3db38cef5479b839dc3f5534f03 Mon Sep 17 00:00:00 2001
From: Kalin Kiesling <krkiesling@gmail.com>
Date: Tue, 22 Mar 2022 14:34:26 -0500
Subject: [PATCH 0136/2654] fix order

---
 CMakeLists.txt | 6 +++---
 1 file changed, 3 insertions(+), 3 deletions(-)

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 168309de8..772256f84 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -25,9 +25,9 @@ endif()
 # Command line options
 #===============================================================================
 
-option(OPENMC_ENABLE_PROFILE  "Enable shared-memory parallelism with OpenMP"         ON)
-option(OPENMC_ENABLE_COVERAGE "Compile with profiling flags"                         OFF)
-option(OPENMC_USE_OPENMP      "Compile with coverage analysis flags"                 OFF)
+option(OPENMC_USE_OPENMP      "Enable shared-memory parallelism with OpenMP"         ON)
+option(OPENMC_ENABLE_PROFILE  "Compile with profiling flags"                         OFF)
+option(OPENMC_ENABLE_COVERAGE "Compile with coverage analysis flags"                 OFF)
 option(OPENMC_USE_DAGMC       "Enable support for DAGMC (CAD) geometry"              OFF)
 option(OPENMC_USE_LIBMESH     "Enable support for libMesh unstructured mesh tallies" OFF)
 

From 4f93bf22f566dbfab9cb2713681d57d411c9e31b Mon Sep 17 00:00:00 2001
From: Kalin Kiesling <krkiesling@gmail.com>
Date: Wed, 23 Mar 2022 09:53:50 -0500
Subject: [PATCH 0137/2654] Apply suggestions from code review

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 CMakeLists.txt                     | 3 ++-
 docs/source/usersguide/install.rst | 2 +-
 2 files changed, 3 insertions(+), 2 deletions(-)

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 772256f84..bc9e12c91 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -35,7 +35,8 @@ option(OPENMC_USE_LIBMESH     "Enable support for libMesh unstructured mesh tall
 # Set build configuration to Release if not set
 #===============================================================================
 
-if (NOT CMAKE_BUILD_TYPE)
+if(NOT CMAKE_BUILD_TYPE)
+    message(STATUS "No build type selected, defaulting to RelWithDebInfo")
     set(CMAKE_BUILD_TYPE RelWithDebInfo CACHE STRING "Choose the type of build" FORCE)
 endif()
 
diff --git a/docs/source/usersguide/install.rst b/docs/source/usersguide/install.rst
index dcf55948c..42258b086 100644
--- a/docs/source/usersguide/install.rst
+++ b/docs/source/usersguide/install.rst
@@ -352,7 +352,7 @@ OPENMC_ENABLE_COVERAGE
   Compile and link code instrumented for coverage analysis. This is typically
   used in conjunction with gcov_. (Default: off)
 
-To set any of these options (e.g. turning on profiling), the following form
+To set any of these options (e.g., turning on profiling), the following form
 should be used:
 
 .. code-block:: sh

From 094330ef12a2ff3a3d781204957d3400966a4081 Mon Sep 17 00:00:00 2001
From: Kalin Kiesling <krkiesling@gmail.com>
Date: Wed, 23 Mar 2022 10:49:42 -0500
Subject: [PATCH 0138/2654] code review suggestions

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 CMakeLists.txt | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/CMakeLists.txt b/CMakeLists.txt
index bc9e12c91..ba8a79efa 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -32,7 +32,7 @@ option(OPENMC_USE_DAGMC       "Enable support for DAGMC (CAD) geometry"
 option(OPENMC_USE_LIBMESH     "Enable support for libMesh unstructured mesh tallies" OFF)
 
 #===============================================================================
-# Set build configuration to Release if not set
+# Set a default build configuration if not explicitly specified
 #===============================================================================
 
 if(NOT CMAKE_BUILD_TYPE)

From d74cf4fca765b7de3c09795671ca417a2b8e5809 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Thu, 24 Mar 2022 15:59:36 +0000
Subject: [PATCH 0139/2654] allow ci to be skipped for non code files

---
 .github/workflows/ci.yml | 5 +++++
 1 file changed, 5 insertions(+)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index e65e630b1..6c83cc669 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -5,6 +5,11 @@ on:
   workflow_dispatch:
 
   pull_request:
+    paths-ignore:
+      - 'docs/**'
+      - '**.md'
+      - CODEOWNERS
+      - LICENSE
     branches:
       - develop
       - master

From 67ffa58145ecce01741ba090b30c2b5bb1144e0d Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Thu, 24 Mar 2022 16:05:18 +0000
Subject: [PATCH 0140/2654] added conda badge :snake:

---
 README.md | 1 +
 1 file changed, 1 insertion(+)

diff --git a/README.md b/README.md
index 186c1e5e0..bd7a8479a 100644
--- a/README.md
+++ b/README.md
@@ -5,6 +5,7 @@
 [![Code Coverage](https://coveralls.io/repos/github/openmc-dev/openmc/badge.svg?branch=develop)](https://coveralls.io/github/openmc-dev/openmc?branch=develop)
 [![dockerhub-publish-develop-dagmc](https://github.com/openmc-dev/openmc/workflows/dockerhub-publish-develop-dagmc/badge.svg)](https://github.com/openmc-dev/openmc/actions?query=workflow%3Adockerhub-publish-develop-dagmc)
 [![dockerhub-publish-develop](https://github.com/openmc-dev/openmc/workflows/dockerhub-publish-develop/badge.svg)](https://github.com/openmc-dev/openmc/actions?query=workflow%3Adockerhub-publish-develop)
+[![conda-pacakge](https://anaconda.org/conda-forge/openmc/badges/version.svg)](https://anaconda.org/conda-forge/openmc)
 
 The OpenMC project aims to provide a fully-featured Monte Carlo particle
 transport code based on modern methods. It is a constructive solid geometry,

From 9c683815ac4e6c87a720f77ceb1c453948b00a06 Mon Sep 17 00:00:00 2001
From: Kalin Kiesling <krkiesling@gmail.com>
Date: Thu, 24 Mar 2022 15:04:59 -0500
Subject: [PATCH 0141/2654] moved faddeeva from vendored to external

---
 {vendor/faddeeva => include/openmc/external}/Faddeeva.hh | 0
 {vendor/faddeeva => src/external}/Faddeeva.cc            | 2 +-
 2 files changed, 1 insertion(+), 1 deletion(-)
 rename {vendor/faddeeva => include/openmc/external}/Faddeeva.hh (100%)
 rename {vendor/faddeeva => src/external}/Faddeeva.cc (99%)

diff --git a/vendor/faddeeva/Faddeeva.hh b/include/openmc/external/Faddeeva.hh
similarity index 100%
rename from vendor/faddeeva/Faddeeva.hh
rename to include/openmc/external/Faddeeva.hh
diff --git a/vendor/faddeeva/Faddeeva.cc b/src/external/Faddeeva.cc
similarity index 99%
rename from vendor/faddeeva/Faddeeva.cc
rename to src/external/Faddeeva.cc
index 80e42228c..6a7051e24 100644
--- a/vendor/faddeeva/Faddeeva.cc
+++ b/src/external/Faddeeva.cc
@@ -157,7 +157,7 @@
 
 #ifdef __cplusplus
 
-#  include "Faddeeva.hh"
+#  include "openmc/external/Faddeeva.hh"
 
 #  include <cfloat>
 #  include <cmath>

From 39a4daa20b8a86f5d3a3ab426e7a2fea186232c9 Mon Sep 17 00:00:00 2001
From: Kalin Kiesling <krkiesling@gmail.com>
Date: Thu, 24 Mar 2022 15:07:12 -0500
Subject: [PATCH 0142/2654] don't compile faddeeva separately

---
 CMakeLists.txt | 25 +++++--------------------
 1 file changed, 5 insertions(+), 20 deletions(-)

diff --git a/CMakeLists.txt b/CMakeLists.txt
index ba8a79efa..aa4499043 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -258,18 +258,6 @@ if("${isSystemDir}" STREQUAL "-1")
   set(CMAKE_INSTALL_RPATH "${CMAKE_INSTALL_FULL_LIBDIR}")
 endif()
 
-#===============================================================================
-# faddeeva library
-#===============================================================================
-
-add_library(faddeeva STATIC vendor/faddeeva/Faddeeva.cc)
-target_include_directories(faddeeva
-  PUBLIC
-    $<INSTALL_INTERFACE:include/faddeeva>
-    $<BUILD_INTERFACE:${CMAKE_CURRENT_SOURCE_DIR}/vendor/faddeeva>
-)
-target_compile_options(faddeeva PRIVATE ${cxxflags})
-
 #===============================================================================
 # libopenmc
 #===============================================================================
@@ -372,7 +360,8 @@ list(APPEND libopenmc_SOURCES
 
 # Add bundled external dependencies
 list(APPEND libopenmc_SOURCES
-  src/external/quartic_solver.cpp)
+  src/external/quartic_solver.cpp
+  src/external/Faddeeva.cc)
 
 # For Visual Studio compilers
 if(MSVC)
@@ -426,7 +415,7 @@ endif()
 # target_link_libraries treats any arguments starting with - but not -l as
 # linker flags. Thus, we can pass both linker flags and libraries together.
 target_link_libraries(libopenmc ${ldflags} ${HDF5_LIBRARIES} ${HDF5_HL_LIBRARIES}
-                      faddeeva xtensor gsl::gsl-lite-v1 fmt::fmt)
+                      xtensor gsl::gsl-lite-v1 fmt::fmt)
 
 if(TARGET pugixml::pugixml)
   target_link_libraries(libopenmc pugixml::pugixml)
@@ -460,7 +449,7 @@ target_link_libraries(openmc libopenmc)
 # Ensure C++14 standard is used. Starting with CMake 3.8, another way this could
 # be done is using the cxx_std_14 compiler feature.
 set_target_properties(
-    openmc libopenmc faddeeva
+    openmc libopenmc
     PROPERTIES CXX_STANDARD 14 CXX_EXTENSIONS OFF)
 
 #===============================================================================
@@ -481,7 +470,7 @@ configure_file(cmake/OpenMCConfig.cmake.in "${CMAKE_BINARY_DIR}${CMAKE_FILES_DIR
 configure_file(cmake/OpenMCConfigVersion.cmake.in "${CMAKE_BINARY_DIR}${CMAKE_FILES_DIRECTORY}/OpenMCConfigVersion.cmake" @ONLY)
 
 set(INSTALL_CONFIGDIR ${CMAKE_INSTALL_LIBDIR}/cmake/OpenMC)
-install(TARGETS openmc libopenmc faddeeva
+install(TARGETS openmc libopenmc
   EXPORT openmc-targets
   RUNTIME DESTINATION ${CMAKE_INSTALL_BINDIR}
   LIBRARY DESTINATION ${CMAKE_INSTALL_LIBDIR}
@@ -501,7 +490,3 @@ install(FILES man/man1/openmc.1 DESTINATION ${CMAKE_INSTALL_MANDIR}/man1)
 install(FILES LICENSE DESTINATION "${CMAKE_INSTALL_DOCDIR}" RENAME copyright)
 install(DIRECTORY include/ DESTINATION ${CMAKE_INSTALL_INCLUDEDIR})
 install(FILES "${CMAKE_BINARY_DIR}/include/openmc/version.h" DESTINATION ${CMAKE_INSTALL_INCLUDEDIR}/openmc)
-
-# Copy headers for vendored dependencies (note that all except faddeeva are handled
-# separately since they are managed by CMake)
-install(DIRECTORY vendor/faddeeva DESTINATION ${CMAKE_INSTALL_INCLUDEDIR})

From 7050b825efbde31fa37bab49437b0351b8165271 Mon Sep 17 00:00:00 2001
From: Kalin Kiesling <krkiesling@gmail.com>
Date: Thu, 24 Mar 2022 15:08:32 -0500
Subject: [PATCH 0143/2654] updated fadeeva header location

---
 src/math_functions.cpp | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/src/math_functions.cpp b/src/math_functions.cpp
index 32228bcdd..ba1c6c3db 100644
--- a/src/math_functions.cpp
+++ b/src/math_functions.cpp
@@ -1,6 +1,6 @@
 #include "openmc/math_functions.h"
 
-#include "Faddeeva.hh"
+#include "openmc/external/Faddeeva.hh"
 
 #include "openmc/constants.h"
 #include "openmc/random_lcg.h"

From eeed67c537e6d06e977cd7672403efa46b04af6f Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <drshimwell@gmail.com>
Date: Thu, 24 Mar 2022 22:34:37 +0000
Subject: [PATCH 0144/2654] added extra folders to ignored ci paths

---
 .github/workflows/ci.yml | 2 ++
 1 file changed, 2 insertions(+)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index 6c83cc669..b6ab03830 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -7,6 +7,8 @@ on:
   pull_request:
     paths-ignore:
       - 'docs/**'
+      - 'examples/**'
+      - 'man/**'
       - '**.md'
       - CODEOWNERS
       - LICENSE

From aef22e48a775c72b4e21aacf8109eae7e1f281ea Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <drshimwell@gmail.com>
Date: Fri, 25 Mar 2022 10:16:58 +0000
Subject: [PATCH 0145/2654] adding name space to import

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/settings.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/settings.py b/openmc/settings.py
index 75c04a637..da6ab3c46 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -1,5 +1,5 @@
 import os
-import typing as typing  # imported separately as py3.8 requires typing.Iterable
+import typing  # imported separately as py3.8 requires typing.Iterable
 from collections.abc import Iterable, Mapping, MutableSequence
 from enum import Enum
 from math import ceil

From 350a347cf4f3aa6ee7243c91fd6d51ac20371731 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Fri, 25 Mar 2022 10:30:29 +0000
Subject: [PATCH 0146/2654] partly wrapped long line

---
 openmc/settings.py | 4 +++-
 1 file changed, 3 insertions(+), 1 deletion(-)

diff --git a/openmc/settings.py b/openmc/settings.py
index da6ab3c46..d11a577d1 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -821,7 +821,9 @@ class Settings:
         self._resonance_scattering = res
 
     @volume_calculations.setter
-    def volume_calculations(self, vol_calcs: Union[VolumeCalculation, typing.Iterable[VolumeCalculation]]):
+    def volume_calculations(
+        self, vol_calcs: Union[VolumeCalculation, typing.Iterable[VolumeCalculation]]
+    ):
         if not isinstance(vol_calcs, MutableSequence):
             vol_calcs = [vol_calcs]
         self._volume_calculations = cv.CheckedList(

From 1e6b953b4822e23572d9e92d33121b314ac890f6 Mon Sep 17 00:00:00 2001
From: Kalin Kiesling <krkiesling@gmail.com>
Date: Fri, 25 Mar 2022 11:49:56 -0500
Subject: [PATCH 0147/2654] recursive include cc and hh files

---
 MANIFEST.in | 2 ++
 1 file changed, 2 insertions(+)

diff --git a/MANIFEST.in b/MANIFEST.in
index c2789a152..d59628325 100644
--- a/MANIFEST.in
+++ b/MANIFEST.in
@@ -23,9 +23,11 @@ recursive-include examples *.cpp
 recursive-include examples *.py
 recursive-include examples *.xml
 recursive-include include *.h
+recursive-include include *.hh
 recursive-include man *.1
 recursive-include openmc *.pyx
 recursive-include openmc *.c
+recursive-include src *.cc
 recursive-include src *.cpp
 recursive-include src *.rnc
 recursive-include src *.rng

From f0683a616c5e66db3eceb6f0bb8e4e52de3297d5 Mon Sep 17 00:00:00 2001
From: Kalin Kiesling <krkiesling@gmail.com>
Date: Fri, 25 Mar 2022 11:50:20 -0500
Subject: [PATCH 0148/2654] exclude external files from coverage

---
 .github/workflows/ci.yml | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index e65e630b1..050c8e287 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -120,7 +120,7 @@ jobs:
       - name: after_success
         shell: bash
         run: |
-          cpp-coveralls -i src -i include --exclude-pattern "/usr/*" --dump cpp_cov.json
+          cpp-coveralls -i src -i include -e src/external --exclude-pattern "/usr/*" --dump cpp_cov.json
           coveralls --merge=cpp_cov.json --service=github
 
   finish:

From 924147f9353ef971d5e6acbdde6c7e84a8084b7d Mon Sep 17 00:00:00 2001
From: Kalin Kiesling <krkiesling@gmail.com>
Date: Fri, 25 Mar 2022 14:28:52 -0500
Subject: [PATCH 0149/2654] alias targets

---
 CMakeLists.txt | 3 +++
 1 file changed, 3 insertions(+)

diff --git a/CMakeLists.txt b/CMakeLists.txt
index ba8a79efa..0c2f5cb43 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -386,6 +386,8 @@ else()
   add_library(libopenmc SHARED ${libopenmc_SOURCES})
 endif()
 
+add_library(OpenMC::libopenmc ALIAS libopenmc)
+
 # Avoid vs error lnk1149 :output filename matches input filename
 if(NOT MSVC)
   set_target_properties(libopenmc PROPERTIES OUTPUT_NAME openmc)
@@ -453,6 +455,7 @@ endif()
 # openmc executable
 #===============================================================================
 add_executable(openmc src/main.cpp)
+add_executable(OpenMC::openmc ALIAS openmc)
 target_compile_options(openmc PRIVATE ${cxxflags})
 target_include_directories(openmc PRIVATE ${CMAKE_BINARY_DIR}/include)
 target_link_libraries(openmc libopenmc)

From 5f31e12443960f29a6b90290df642a88b11188ed Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 25 Mar 2022 11:42:59 -0500
Subject: [PATCH 0150/2654] Add test for Region.from_expression case with )(

---
 tests/unit_tests/test_region.py | 4 ++++
 1 file changed, 4 insertions(+)

diff --git a/tests/unit_tests/test_region.py b/tests/unit_tests/test_region.py
index 8b2e06ad1..e75982760 100644
--- a/tests/unit_tests/test_region.py
+++ b/tests/unit_tests/test_region.py
@@ -200,3 +200,7 @@ def test_from_expression(reset):
     assert isinstance(r, openmc.Intersection)
     assert isinstance(r[1], openmc.Union)
     assert r[1][:] == [-s2, +s3]
+
+    # Make sure ")(" is handled correctly
+    r = openmc.Region.from_expression('(-1|2)(2|-3)', surfs)
+    assert str(r) == '((-1 | 2) (2 | -3))'

From f9ba350e1c433f71f73a851f2da2bd220e9af468 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 25 Mar 2022 11:44:01 -0500
Subject: [PATCH 0151/2654] Add fix for Region.from_expression case with )(

---
 openmc/region.py | 12 +++++++++---
 1 file changed, 9 insertions(+), 3 deletions(-)

diff --git a/openmc/region.py b/openmc/region.py
index b252ff4a7..8efee7c4e 100644
--- a/openmc/region.py
+++ b/openmc/region.py
@@ -116,14 +116,20 @@ class Region(ABC):
                     # For everything other than intersection, add the operator
                     # to the list of tokens
                     tokens.append(expression[i])
+
+                    # If two parentheses appear immediately adjacent to one
+                    # another, we need an intersection between them
+                    if expression[i:i+2] == ')(':
+                        tokens.append(' ')
                 else:
                     # Find next non-space character
                     while expression[i+1] == ' ':
                         i += 1
 
-                    # If previous token is a halfspace or right parenthesis and next token
-                    # is not a left parenthese or union operator, that implies that the
-                    # whitespace is to be interpreted as an intersection operator
+                    # If previous token is a halfspace or right parenthesis and
+                    # next token is not a left parenthesis or union operator,
+                    # that implies that the whitespace is to be interpreted as
+                    # an intersection operator
                     if (i_start >= 0 or tokens[-1] == ')') and \
                        expression[i+1] not in ')|':
                         tokens.append(' ')

From 80829aefc7e44e5b36ad70ac5a569054966cf6a7 Mon Sep 17 00:00:00 2001
From: aprilnovak <novak@berkeley.edu>
Date: Tue, 29 Mar 2022 09:01:08 -0500
Subject: [PATCH 0152/2654] Move lost particle reset from finalize() to
 reset(). Refs #2014

---
 src/finalize.cpp | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/src/finalize.cpp b/src/finalize.cpp
index bfcd77dda..5bfe8907c 100644
--- a/src/finalize.cpp
+++ b/src/finalize.cpp
@@ -121,7 +121,6 @@ int openmc_finalize()
   settings::write_initial_source = false;
 
   simulation::keff = 1.0;
-  simulation::n_lost_particles = 0;
   simulation::need_depletion_rx = false;
   simulation::total_gen = 0;
 
@@ -174,6 +173,8 @@ int openmc_reset()
 
   settings::cmfd_run = false;
 
+  simulation::n_lost_particles = 0;
+
   return 0;
 }
 

From f72dbe68e16b72485e0322c611b9409939532d2d Mon Sep 17 00:00:00 2001
From: yardasol <oyardas2@illinois.edu>
Date: Wed, 30 Mar 2022 16:11:34 -0500
Subject: [PATCH 0153/2654] fix output variable type in docstring for
 HexLattice.from_hdf5

---
 openmc/lattice.py | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/openmc/lattice.py b/openmc/lattice.py
index b6f1a2774..464daaf7e 100644
--- a/openmc/lattice.py
+++ b/openmc/lattice.py
@@ -2056,8 +2056,8 @@ class HexLattice(Lattice):
 
         Returns
         -------
-        openmc.RectLattice
-            Rectangular lattice
+        openmc.HexLattice
+            Hexagonal lattice
 
         """
         n_rings = group['n_rings'][()]

From 48dbf1a4c3a83bf7abd0722ab868f532abc6b5bd Mon Sep 17 00:00:00 2001
From: yardasol <oyardas2@illinois.edu>
Date: Wed, 30 Mar 2022 16:18:12 -0500
Subject: [PATCH 0154/2654] fix axis spec in docstring for ZCone

---
 openmc/surface.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/surface.py b/openmc/surface.py
index f2b496f72..926b2fedc 100644
--- a/openmc/surface.py
+++ b/openmc/surface.py
@@ -1968,7 +1968,7 @@ class YCone(QuadricMixin, Surface):
 
 
 class ZCone(QuadricMixin, Surface):
-    """A cone parallel to the x-axis of the form :math:`(x - x_0)^2 + (y - y_0)^2 =
+    """A cone parallel to the z-axis of the form :math:`(x - x_0)^2 + (y - y_0)^2 =
     r^2 (z - z_0)^2`.
 
     Parameters

From a61f3f534bf155143511cd603e770ad66bc1bbd1 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 31 Mar 2022 14:45:59 -0500
Subject: [PATCH 0155/2654] Fix use of cwd in plot_inline and
 Plot.to_ipython_image

---
 openmc/executor.py |  4 ++--
 openmc/plots.py    | 12 ++++++------
 2 files changed, 8 insertions(+), 8 deletions(-)

diff --git a/openmc/executor.py b/openmc/executor.py
index 63653f4d0..357fa64d5 100644
--- a/openmc/executor.py
+++ b/openmc/executor.py
@@ -166,13 +166,13 @@ def plot_inline(plots, openmc_exec='openmc', cwd='.'):
         plots = [plots]
 
     # Create plots.xml
-    openmc.Plots(plots).export_to_xml()
+    openmc.Plots(plots).export_to_xml(cwd)
 
     # Run OpenMC in geometry plotting mode
     plot_geometry(False, openmc_exec, cwd)
 
     if plots is not None:
-        images = [_get_plot_image(p) for p in plots]
+        images = [_get_plot_image(p, cwd) for p in plots]
         display(*images)
 
 
diff --git a/openmc/plots.py b/openmc/plots.py
index 3599a3274..6bce8894c 100644
--- a/openmc/plots.py
+++ b/openmc/plots.py
@@ -164,16 +164,16 @@ _SVG_COLORS = {
 }
 
 
-def _get_plot_image(plot):
+def _get_plot_image(plot, cwd):
     from IPython.display import Image
 
     # Make sure .png file was created
     stem = plot.filename if plot.filename is not None else f'plot_{plot.id}'
-    png_file = f'{stem}.png'
-    if not Path(png_file).exists():
+    png_file = Path(cwd) / f'{stem}.png'
+    if not png_file.exists():
         raise FileNotFoundError(f"Could not find .png image for plot {plot.id}")
 
-    return Image(png_file)
+    return Image(str(png_file))
 
 
 class Plot(IDManagerMixin):
@@ -784,13 +784,13 @@ class Plot(IDManagerMixin):
 
         """
         # Create plots.xml
-        Plots([self]).export_to_xml()
+        Plots([self]).export_to_xml(cwd)
 
         # Run OpenMC in geometry plotting mode
         openmc.plot_geometry(False, openmc_exec, cwd)
 
         # Return produced image
-        return _get_plot_image(self)
+        return _get_plot_image(self, cwd)
 
 
 class Plots(cv.CheckedList):

From 412aa24727291eceb24a190c01bde57c317e2340 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 31 Mar 2022 14:47:14 -0500
Subject: [PATCH 0156/2654] Change Universe.plot to use openmc executable

---
 openmc/universe.py | 130 +++++++++++++++++----------------------------
 1 file changed, 49 insertions(+), 81 deletions(-)

diff --git a/openmc/universe.py b/openmc/universe.py
index a7d7f096c..6604771cb 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -1,9 +1,10 @@
 from abc import ABC, abstractmethod
 from collections import OrderedDict
 from collections.abc import Iterable
-from copy import copy, deepcopy
+from copy import deepcopy
 from numbers import Real
-import random
+from pathlib import Path
+from tempfile import TemporaryDirectory
 from xml.etree import ElementTree as ET
 
 import numpy as np
@@ -267,13 +268,9 @@ class Universe(UniverseBase):
 
     def plot(self, origin=(0., 0., 0.), width=(1., 1.), pixels=(200, 200),
              basis='xy', color_by='cell', colors=None, seed=None,
-             **kwargs):
+             openmc_exec='openmc', **kwargs):
         """Display a slice plot of the universe.
 
-        To display or save the plot, call :func:`matplotlib.pyplot.show` or
-        :func:`matplotlib.pyplot.savefig`. In a Jupyter notebook, enabling the
-        matplotlib inline backend will show the plot inline.
-
         Parameters
         ----------
         origin : Iterable of float
@@ -297,14 +294,14 @@ class Universe(UniverseBase):
                # Make water blue
                water = openmc.Cell(fill=h2o)
                universe.plot(..., colors={water: (0., 0., 1.))
+        seed : int
+            Seed for the random number generator
+        openmc_exec : str
+            Path to OpenMC executable
 
-        seed : hashable object or None
-            Hashable object which is used to seed the random number generator
-            used to select colors. If None, the generator is seeded from the
-            current time.
+            .. versionadded:: 0.13.1
         **kwargs
-            All keyword arguments are passed to
-            :func:`matplotlib.pyplot.imshow`.
+            Keyword arguments passed to :func:`matplotlib.pyplot.imshow`
 
         Returns
         -------
@@ -312,83 +309,54 @@ class Universe(UniverseBase):
             Resulting image
 
         """
+        import matplotlib.image as mpimg
         import matplotlib.pyplot as plt
 
-        # Seed the random number generator
-        if seed is not None:
-            random.seed(seed)
-
-        if colors is None:
-            # Create default dictionary if none supplied
-            colors = {}
-        else:
-            # Convert to RGBA if necessary
-            colors = copy(colors)
-            for obj, color in colors.items():
-                if isinstance(color, str):
-                    if color.lower() not in _SVG_COLORS:
-                        raise ValueError(f"'{color}' is not a valid color.")
-                    colors[obj] = [x/255 for x in
-                                   _SVG_COLORS[color.lower()]] + [1.0]
-                elif len(color) == 3:
-                    colors[obj] = list(color) + [1.0]
-
+        # Determine extents of plot
         if basis == 'xy':
-            x_min = origin[0] - 0.5*width[0]
-            x_max = origin[0] + 0.5*width[0]
-            y_min = origin[1] - 0.5*width[1]
-            y_max = origin[1] + 0.5*width[1]
+            x, y = 0, 1
         elif basis == 'yz':
-            # The x-axis will correspond to physical y and the y-axis will
-            # correspond to physical z
-            x_min = origin[1] - 0.5*width[0]
-            x_max = origin[1] + 0.5*width[0]
-            y_min = origin[2] - 0.5*width[1]
-            y_max = origin[2] + 0.5*width[1]
+            x, y = 1, 2
         elif basis == 'xz':
-            # The y-axis will correspond to physical z
-            x_min = origin[0] - 0.5*width[0]
-            x_max = origin[0] + 0.5*width[0]
-            y_min = origin[2] - 0.5*width[1]
-            y_max = origin[2] + 0.5*width[1]
+            x, y = 0, 2
+        x_min = origin[x] - 0.5*width[0]
+        x_max = origin[x] + 0.5*width[0]
+        y_min = origin[y] - 0.5*width[1]
+        y_max = origin[y] + 0.5*width[1]
 
-        # Determine locations to determine cells at
-        x_coords = np.linspace(x_min, x_max, pixels[0], endpoint=False) + \
-                   0.5*(x_max - x_min)/pixels[0]
-        y_coords = np.linspace(y_max, y_min, pixels[1], endpoint=False) - \
-                   0.5*(y_max - y_min)/pixels[1]
+        with TemporaryDirectory() as tmpdir:
+            model = openmc.Model()
+            model.geometry = openmc.Geometry(self)
+            if seed is not None:
+                model.settings.seed = seed
 
-        # Initialize output image in RGBA format.  Flip the pixels from
-        # traditional (x, y) to (y, x) used in graphics.
-        img = np.zeros((pixels[1], pixels[0], 4))
-        for i, x in enumerate(x_coords):
-            for j, y in enumerate(y_coords):
-                if basis == 'xy':
-                    path = self.find((x, y, origin[2]))
-                elif basis == 'yz':
-                    path = self.find((origin[0], x, y))
-                elif basis == 'xz':
-                    path = self.find((x, origin[1], y))
+            # Create plot object matching passed arguments
+            plot = openmc.Plot()
+            plot.origin = origin
+            plot.width = width
+            plot.pixels = pixels
+            plot.basis = basis
+            plot.color_by = color_by
+            plot.colors = colors
+            model.plots.append(plot)
 
-                if len(path) > 0:
-                    try:
-                        if color_by == 'cell':
-                            obj = path[-1]
-                        elif color_by == 'material':
-                            if path[-1].fill_type == 'material':
-                                obj = path[-1].fill
-                            else:
-                                continue
-                    except AttributeError:
-                        continue
-                    if obj not in colors:
-                        colors[obj] = (random.random(), random.random(),
-                                       random.random(), 1.0)
-                    img[j, i, :] = colors[obj]
+            # Run OpenMC in geometry plotting mode
+            model.plot_geometry(False, cwd=tmpdir, openmc_exec=openmc_exec)
 
-        # Display image
-        return plt.imshow(img, extent=(x_min, x_max, y_min, y_max),
-                          interpolation='nearest', **kwargs)
+            # Read image from file
+            img = mpimg.imread(Path(tmpdir) / f'plot_{plot.id}.png')
+
+            # Create a figure sized such that the size of the axes within
+            # exactly matches the number of pixels specified
+            px = 1/plt.rcParams['figure.dpi']
+            fig, ax = plt.subplots()
+            params = fig.subplotpars
+            width = pixels[0]*px/(params.right - params.left)
+            height = pixels[0]*px/(params.top - params.bottom)
+            fig.set_size_inches(width, height)
+
+            # Plot image and return the axes
+            return ax.imshow(img, extent=(x_min, x_max, y_min, y_max), **kwargs)
 
     def add_cell(self, cell):
         """Add a cell to the universe.

From 0dc6f463ed080cadc1cda9d44b5102ae4ae367de Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 31 Mar 2022 14:47:39 -0500
Subject: [PATCH 0157/2654] Change 'type' to 'from_mode' for decay sublibrary
 continuous spectra. Closes #2017

---
 openmc/data/decay.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/data/decay.py b/openmc/data/decay.py
index a0402b47d..5ca2b235a 100644
--- a/openmc/data/decay.py
+++ b/openmc/data/decay.py
@@ -442,7 +442,7 @@ class Decay(EqualityMixin):
                     # Read continuous spectrum
                     ci = {}
                     params, ci['probability'] = get_tab1_record(file_obj)
-                    ci['type'] = get_decay_modes(params[0])
+                    ci['from_mode'] = get_decay_modes(params[0])
 
                     # Read covariance (Ek, Fk) table
                     LCOV = params[3]

From 226065160a37858fefed3fa3a586dd2541cafe92 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 1 Apr 2022 07:29:36 -0500
Subject: [PATCH 0158/2654] Add ability to specify remove_surfs from
 Model.export_to_xml

---
 openmc/model/model.py | 8 ++++++--
 1 file changed, 6 insertions(+), 2 deletions(-)

diff --git a/openmc/model/model.py b/openmc/model/model.py
index 072c5ae73..3c94548fc 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -395,7 +395,7 @@ class Model:
                 depletion_operator.cleanup_when_done = True
                 depletion_operator.finalize()
 
-    def export_to_xml(self, directory='.'):
+    def export_to_xml(self, directory='.', remove_surfs=False):
         """Export model to XML files.
 
         Parameters
@@ -403,7 +403,11 @@ class Model:
         directory : str
             Directory to write XML files to. If it doesn't exist already, it
             will be created.
+        remove_surfs : bool
+            Whether or not to remove redundant surfaces from the geometry when
+            exporting
 
+            .. versionadded:: 0.13.1
         """
         # Create directory if required
         d = Path(directory)
@@ -411,7 +415,7 @@ class Model:
             d.mkdir(parents=True)
 
         self.settings.export_to_xml(d)
-        self.geometry.export_to_xml(d)
+        self.geometry.export_to_xml(d, remove_surfs=remove_surfs)
 
         # If a materials collection was specified, export it. Otherwise, look
         # for all materials in the geometry and use that to automatically build

From 9350e99061bf8bd08935fef5c88d44272e3e997f Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Fri, 1 Apr 2022 15:54:29 -0500
Subject: [PATCH 0159/2654] added CylinderSector composite surface

---
 openmc/model/surface_composite.py | 89 +++++++++++++++++++++++++++++++
 1 file changed, 89 insertions(+)

diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index 09a3c0170..0151d19e8 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -165,6 +165,95 @@ class RectangularParallelepiped(CompositeSurface):
     def __pos__(self):
         return -self.xmin | +self.xmax | -self.ymin | +self.ymax | -self.zmin | +self.zmax
 
+class CylinderSector(CompositeSurface):
+    """Infinite cylindrical sector composite surface
+
+    This class
+    acts as a proper surface, meaning that unary `+` and `-` operators applied
+    to it will produce a half-space. The negative side is defined to be the
+    region inside of the octogonal prism.
+
+    Parameters
+    ----------
+    center_axis : 2-tuple
+         (x,y), (x,z), or (y,z) coordiante of cylinders' central axes.
+         Defaults to (0,0)
+    r1, r2 : float
+        Inner and outer cylinder radii
+    alpha1, alpha2 : float
+        Angular segmentation in degrees relative to the x-, x-, or y-axis.
+    axis : {'z', 'y', 'x'}
+        Axes of the cylinders
+    **kwargs
+        Keyword arguments passed to underlying plane classes
+
+    Attributes
+    ----------
+    outer : openmc.ZCylinder, openmc.YCylinder, or openmc.XCylinder
+        Outer cylinder surface
+    inner : openmc.ZCylinder, openmc.YCylinder, or openmc.XCylinder
+        Inner cylinder surface
+    plane_1 : openmc.Plane
+        Segment plane corresponding to :attr:`alpha1`
+    plane_2 : openmc.Plane
+        Segmenting plane correspodning to :attr:`alpha2`
+
+    """
+
+    _surface_names = ('outer','inner',
+                      'plane_a', 'plane_b')
+
+    def __init__(self, center, r1, r2, alpha1, alpha2, **kwargs):
+
+        alpha1 = np.pi / 180 * alpha1
+        alpha2 = np.pi / 180 * alpha2
+        # Coords for axis-perpendicular planes
+        p1 = np.array([0,0,1])
+
+        p2_plane1 = np.array([r1 * np.cos(alpha1), -r1 * np.sin(alpha1), 0])
+        p3_plane1 = np.array([r2 * np.cos(alpha1), -r2 * np.sin(alpha1), 0])
+
+        p2_plane2 = np.array([r1 * np.cos(alpha2), r1 * np.sin(alpha2), 0])
+        p3_plane2 = np.array([r2 * np.cos(alpha2), r2 * np.sin(alpha2), 0])
+
+        points = [p1, p2_plane1, p3_plane1, p2_plane2, p3_plane2]
+        if axis == 'x':
+            self.inner = openmc.XCylinder(*center_axis, r=r1, **kwargs)
+            self.outer = openmc.XCylinder(*center_axis, r=r2, **kwargs)
+            coord_map = [2,0,1]
+         elif axis == 'y':
+            self.inner = openmc.YCylinder(*center_axis, r=r1, **kwargs)
+            self.outer = openmc.YCylinder(*center_axis, r=r2, **kwargs)
+            coord_map = [0,2,1]
+         elif axis == 'z':
+            self.inner = openmc.ZCylinder(*center_axis, r=r1, **kwargs)
+            self.outer = openmc.ZCylinder(*center_axis, r=r2, **kwargs)
+            coord_map = [0,1,2]
+
+        calibrated_points = []
+        for p in points:
+            p_temp = []
+            for i in coord_map:
+                p_temp += [p[i]]
+            calibrated_points += [np.array(p_temp)]
+
+        p1, p2_plane1, p3_plane1, p2_plane2, p3_plane2 = calibrated_points
+
+        plane1_params = _plane_from_points(p1, p2_plane1, p3_plane1)
+        plane2_params = _plane_from_points(p1, p2_plane2, p3_plane2)
+
+        self.inner = openmc.ZCylinder(x0=x0, y0=y0, r=r1, **kwargs)
+        self.outer = openmc.ZCylinder(x0=x0, y0=y0, r=r2, **kwargs)
+        self.plane1 = openmc.Plane(*plane1_params, **kwargs)
+        self.plane2 = openmc.Plane(*plane2_params, **kwargs)
+
+
+    def __neg__(self):
+        return -self.outer & +self.inner & -self.plane1 &  +self.plane2
+
+
+    def __pos__(self):
+        return +self.outer | -self.inner | +self.plane1 | -self.plane2
 
 class XConeOneSided(CompositeSurface):
     """One-sided cone parallel the x-axis

From f787057c931cf921cb21a3680b0231ddc2996477 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Fri, 1 Apr 2022 16:13:00 -0500
Subject: [PATCH 0160/2654] Added Octagon composite surface

---
 openmc/model/surface_composite.py | 142 ++++++++++++++++++++++++++++++
 1 file changed, 142 insertions(+)

diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index 09a3c0170..31b6222a8 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -50,6 +50,148 @@ class CompositeSurface(ABC):
     def __neg__(self):
         """Return the negative half-space of the composite surface."""
 
+class Octagon(CompositeSurface):
+    """Infinite octogonal prism composite surface
+
+    An octagonal prism is composed of eight surfaces. The prism is parallel to
+    the x, y, or z axis; two pars of surfaces are perpendicualr to the z and y,
+    x and z, or y and x axes, respectively.
+
+    This class
+    acts as a proper surface, meaning that unary `+` and `-` operators applied
+    to it will produce a half-space. The negative side is defined to be the
+    region inside of the octogonal prism.
+
+    Parameters
+    ----------
+    center : 2-tuple
+        (q1,q2) coordinate for the center of the octagon. (q1,q2) pairs are
+        (x,y), (x,z), or (x,z).
+    r1 : float
+        Half-width of octagon across axis-perpendicualr sides
+    r2 : float
+        Half-width of octagon across off-axis sides
+    axis : {'x', 'y', 'z'}
+        Central axis of ocatgon. Defaults to 'z'
+    **kwargs
+        Keyword arguments passed to underlying cylinder and plane classes
+
+    Attributes
+    ----------
+    top : openmc.ZPlane or openmc.XPlane
+        Top planar surface of octagon
+    bottom : openmc.ZPlane or openmc.XPlane
+        Bottom planar surface of octagon
+    right: openmc.YPlane or openmc.ZPlane
+        Right planaer surface of octagon
+    left: openmc.YPlane or openmc.ZPlane
+        Left planar surface of octagon
+    upper_right : openmc.Plane
+        Upper right planar surface of octagon
+    lower_right : openmc.Plane
+        Lower right planar surface of octagon
+    lower_left : openmc.Plane
+        Lower left planar surface of octagon
+    upper_left : openmc.Plane
+        Upper left planar surface of octagon
+
+    """
+
+    _surface_names = ('top', 'bottom',
+                      'upper_right', 'lower_left',
+                      'right', 'left',
+                      'lower_right', 'upper_left')
+
+    def __init__(self, center, r1, r2, axis='z', **kwargs):
+        self._axis = axis
+        q1c, q2c = center
+
+        # Coords for axis-perpendicular planes
+        ctop = q1c+r1
+        cbottom = q1c-r1
+
+        cright= q2c+r1
+        cleft = q2c-r1
+
+        # Side lengths
+        L_perp_ax1 = (r2 * np.sqrt(2) - r1) * 2
+        L_perp_ax2 = (r1 * np.sqrt(2) - r2) * 2
+
+        # Coords for quadrant planes
+        p1_ur = [L_perp_ax1/2, r1, 0]
+        p2_ur = [r1, L_perp_ax1/2, 0]
+        p3_ur = [r1, L_perp_ax1/2, 1]
+
+        p1_lr = [r1, -L_perp_ax1/2, 0]
+        p2_lr = [L_perp_ax1/2, -r1, 0]
+        p3_lr = [L_perp_ax1/2, -r1, 1]
+
+        points = [p1_ur, p2_ur, p3_ur, p1_lr, p2_lr, p3_lr]
+
+        # Orientation specific variables
+        if axis == 'z':
+            coord_map = [0,1,2]
+            self.top = openmc.YPlane(y0=ctop, **kwargs)
+            self.bottom = openmc.YPlane(y0=cbottom, **kwargs)
+            self.right = openmc.XPlane(x0=cright, **kwargs)
+            self.left = openmc.XPlane(x0=cleft, **kwargs)
+        elif axis == 'y':
+            coord_map = [0,2,1]
+            self.top = openmc.ZPlane(z0=ctop, **kwargs)
+            self.bottom = openmc.ZPlane(z0=cbottom, **kwargs)
+            self.right = openmc.XPlane(x0=cright, **kwargs)
+            self.left = openmc.XPlane(x0=cleft, **kwargs)
+        elif axis == 'x':
+            coord_map = [2,0,1]
+            self.top = openmc.ZPlane(z0=ctop, **kwargs)
+            self.bottom = openmc.ZPlane(z0=cbottom, **kwargs)
+            self.right = openmc.YPlane(y0=cright, **kwargs)
+            self.left = openmc.YPlane(y0=cleft, **kwargs)
+
+        # Put our coordinates in (x,y,z) order
+        calibrated_points = []
+        for p in points:
+            p_temp = []
+            for i in coord_map:
+                p_temp += [p[i]]
+            calibrated_points += [np.array(p_temp)]
+
+        p1_ur, p2_ur, p3_ur, p1_lr, p2_lr, p3_lr = calibrated_points
+
+        upper_right_params = _plane_from_points(p1_ur, p2_ur, p3_ur)
+        lower_right_params = _plane_from_points(p1_lr, p2_lr, p3_lr)
+        lower_left_params = _plane_from_points(-p1_ur, -p2_ur, -p3_ur)
+        upper_left_params = _plane_from_points(-p1_lr, -p2_lr, -p3_lr)
+
+        self.upper_right = openmc.Plane(*tuple(upper_right_params), **kwargs)
+        self.lower_right = openmc.Plane(*tuple(lower_right_params), **kwargs)
+        self.lower_left = openmc.Plane(*tuple(lower_left_params), **kwargs)
+        self.upper_left = openmc.Plane(*tuple(upper_left_params), **kwargs)
+
+
+    def __neg__(self):
+        reg = -self.top & +self.bottom & -self.right & +self.left
+        if self._axis == 'y':
+            reg = reg & -self.upper_right & -self.lower_right & \
+                +self.lower_left & +self.upper_left
+        else:
+            reg = reg & +self.upper_right & +self.lower_right & \
+                -self.lower_left & -self.upper_left
+
+        return reg
+
+
+    def __pos__(self):
+        reg = +self.top | -self.bottom | +self.right | -self.left
+        if self._axis == 'y':
+            reg = reg | +self.upper_right | +self.lower_right | \
+                -self.lower_left | -self.upper_left
+        else:
+            reg = reg | -self.upper_right | -self.lower_right | \
+                +self.lower_left | +self.upper_left
+
+        return reg
+
 
 class RightCircularCylinder(CompositeSurface):
     """Right circular cylinder composite surface

From cbe9cc8c290d675b515fa40507fd4179c74a9b5b Mon Sep 17 00:00:00 2001
From: Joffrey Dorville <joffreydorville@mines.edu>
Date: Fri, 1 Apr 2022 17:31:16 -0600
Subject: [PATCH 0161/2654] Kalbach-Mann slope calculation for ENDF files when
 the projectile is a neutron

---
 openmc/data/kalbach_mann.py                | 528 ++++++++++++++++++++-
 openmc/data/njoy.py                        |  11 +-
 openmc/data/reaction.py                    |  29 +-
 tests/unit_tests/test_data_kalbach_mann.py | 280 +++++++++++
 4 files changed, 834 insertions(+), 14 deletions(-)
 create mode 100644 tests/unit_tests/test_data_kalbach_mann.py

diff --git a/openmc/data/kalbach_mann.py b/openmc/data/kalbach_mann.py
index f4c914d90..11e3acf40 100644
--- a/openmc/data/kalbach_mann.py
+++ b/openmc/data/kalbach_mann.py
@@ -5,6 +5,7 @@ from warnings import warn
 import numpy as np
 
 import openmc.checkvalue as cv
+from openmc.mixin import EqualityMixin
 from openmc.stats import Tabular, Univariate, Discrete, Mixture
 from .function import Tabulated1D, INTERPOLATION_SCHEME
 from .angle_energy import AngleEnergy
@@ -12,6 +13,468 @@ from .data import EV_PER_MEV
 from .endf import get_list_record, get_tab2_record
 
 
+# Kalbach-Mann constants as defined in ENDF-6 manual BNL-203218-2018-INRE,
+# Revision 215, File 6 description for LAW=1 and LANG=2.
+_C1 = 0.04  # [1/MeV]
+_C2 = 1.8E-6  # [1/MeV^3]
+_C3 = 6.7E-7  # [1/MeV^4]
+_ET1 = 130.  # [MeV]
+_ET3 = 41.  # [MeV]
+_M_NEUTRON = 1.
+_M_PROTON = 1.
+_M_DEUTERON = 1.
+_M_TRITON = None
+_M_3HE = None
+_M_ALPHA = 0.
+_SM_NEUTRON = 1/2.
+_SM_PROTON = 1.
+_SM_DEUTERON = 1.
+_SM_TRITON = 1.
+_SM_3HE = 1.
+_SM_ALPHA = 2.
+
+# Kalbach-Mann M coefficients
+_TABULATED_PARTICLE_M = {
+    1: _M_NEUTRON,
+    1001: _M_PROTON,
+    1002: _M_DEUTERON,
+    1003: _M_TRITON,
+    2003: _M_3HE,
+    2004: _M_ALPHA
+}
+
+# Kalbach-Mann m coefficients
+_TABULATED_PARTICLE_SM = {
+    1: _SM_NEUTRON,
+    1001: _SM_PROTON,
+    1002: _SM_DEUTERON,
+    1003: _SM_TRITON,
+    2003: _SM_3HE,
+    2004: _SM_ALPHA
+}
+
+# Breaking energy as defined in ENDF-6 manual BNL-203218-2018-INRE,
+# Revision 215, Appendix H, Table 3.
+_BREAKING_ENERGY_NEUTRON = 0.
+_BREAKING_ENERGY_PROTON = 0.
+_BREAKING_ENERGY_DEUTERON = 2.224566  # [MeV]
+_BREAKING_ENERGY_TRITON = 8.481798  # [MeV]
+_BREAKING_ENERGY_3HE = 7.718043  # [MeV]
+_BREAKING_ENERGY_ALPHA = 28.29566  # [MeV]
+
+_TABULATED_BREAKING_ENERGY = {
+    1: _BREAKING_ENERGY_NEUTRON,
+    1001: _BREAKING_ENERGY_PROTON,
+    1002: _BREAKING_ENERGY_DEUTERON,
+    1003: _BREAKING_ENERGY_TRITON,
+    2003: _BREAKING_ENERGY_3HE,
+    2004: _BREAKING_ENERGY_ALPHA
+}
+
+# Abundant IZA translation in merged library
+_IZA_TRANSLATION = {
+    6000: 6012,
+}
+
+
+class AtomicRepresentation(EqualityMixin):
+    """Atomic representation of an isotope or a particle.
+
+    Parameters
+    ----------
+    z: int
+        Number of protons (atomic number)
+    a: int
+        Number of nucleons (mass number)
+
+    Raises
+    ------
+    IOError:
+        When the number of protons (z) declared is higher than the number
+        of nucleons (a)
+
+    Attributes
+    ----------
+    z: int
+        Number of protons (atomic number)
+    a: int
+        Number of nucleons (mass number)
+    n: int
+        Number of neutrons
+    breaking_energy: float
+        Energy required to break the isotope or particle into their
+        constituent nucleons from tabulated values
+    M: float
+        Kalbach-Mann M coefficient
+    m: float
+        Kalbach-Mann m coefficient
+    iza: int
+        ZA identifier defined as:
+        iza = Z x 1000 + A,
+        where Z is the number of protons and A the number of nucleons
+
+    """
+    def __init__(self, z, a):
+        self._consistency_check(z, a)
+        self._z = z
+        self._a = a
+        self.z = self._z
+        self.a = self._a
+
+    def __add__(self, other):
+        """Adds two AtomicRepresentations.
+
+        """
+        z = self.z + other.z
+        a = self.a + other.a
+        return AtomicRepresentation(z=z, a=a)
+
+    def __sub__(self, other):
+        """Substracts two AtomicRepresentations.
+
+        """
+        z = self.z - other.z
+        a = self.a - other.a
+        return AtomicRepresentation(z=z, a=a)
+
+    @property
+    def a(self):
+        self._consistency_check(self._z, self._a)
+        return self._a
+
+    @property
+    def z(self):
+        self._consistency_check(self._z, self._a)
+        return self._z
+
+    @property
+    def n(self):
+        return self.a - self.z
+
+    @property
+    def breaking_energy(self):
+        breaking_energy = None
+        if self.iza in _TABULATED_BREAKING_ENERGY:
+            breaking_energy = _TABULATED_BREAKING_ENERGY[self.iza]
+        return breaking_energy
+
+    @property
+    def M(self):
+        M = None
+        if self.iza in _TABULATED_PARTICLE_M:
+            M = _TABULATED_PARTICLE_M[self.iza]
+        return M
+
+    @property
+    def m(self):
+        m = None
+        if self.iza in _TABULATED_PARTICLE_SM:
+            m = _TABULATED_PARTICLE_SM[self.iza]
+        return m
+
+    @property
+    def iza(self):
+        iza = self.z * 1000 + self.a
+        return iza
+
+    @a.setter
+    def a(self, an):
+        cv.check_type('a', an, Integral)
+        cv.check_greater_than('a', an, 0, equality=True)
+        self._consistency_check(self._z, an)
+        self._a = an
+
+    @z.setter
+    def z(self, zn):
+        cv.check_type('z', zn, Integral)
+        cv.check_greater_than('z', zn, 0, equality=True)
+        self._consistency_check(zn, self._a)
+        self._z = zn
+
+    @staticmethod
+    def _consistency_check(z, a):
+        """Simple consistency check.
+
+        Parameters
+        ----------
+        z: int
+            Number of protons (atomic number)
+        a: int
+            Number of nucleons (mass number)
+
+        Raises
+        ------
+        IOError:
+            When the number of protons (z) declared is higher than the number
+            of nucleons (a)
+
+        """
+        if z > a:
+            raise IOError(
+                "Number of protons (%i) incompatible with number of "
+                "nucleons (%i)" % (z, a)
+            )
+
+    @classmethod
+    def from_iza(cls, iza):
+        """Instantiates an AtomicRepresentation from a ZA identifier.
+
+        The ZA identifier is defined as:
+        iza = Z x 1000 + A,
+        where Z is the number of protons and A the number of nucleons.
+
+        Parameters
+        ----------
+        iza: int
+            ZA identifier
+
+        Returns
+        -------
+        AtomicRepresentation
+            Atomic representation of the isotope/particle
+
+        """
+        if iza in _IZA_TRANSLATION.keys():
+            iza = _IZA_TRANSLATION[iza]
+
+        z = int(iza/1000)
+        a = np.mod(iza, 1000)
+
+        return cls(z, a)
+
+
+def _calculate_separation_energy(compound, nucleus, particle):
+    """Calculates the separation energy as defined in ENDF-6 manual
+    BNL-203218-2018-INRE, Revision 215, File 6 description for LAW=1
+    and LANG=2. This function can be used for the incident or emitted
+    particle of the following reaction: A + a -> C -> B + b
+
+    Parameters
+    ----------
+    compound: AtomicRepresentation
+        Atomic representation of the compound (C)
+    nucleus: AtomicRepresentation
+        Atomic representation of the nucleus (A or B)
+    particle: AtomicRepresentation
+        Atomic representation of the particle (a or b)
+
+    Returns
+    -------
+    separation_energy: float
+        Separation energy in MeV
+
+    """
+    coef_1 = 15.68 * (compound.a - nucleus.a)
+    coef_2 = 28.07 * ((compound.n - compound.z)**2 / float(compound.a) - \
+        (nucleus.n - nucleus.z)**2 / float(nucleus.a))
+    coef_3 = 18.56 * (compound.a**(2./3.) - nucleus.a**(2./3.))
+    coef_4 = 33.22 * ((compound.n - compound.z)**2 / float(compound.a)**(4./3.) - \
+        (nucleus.n - nucleus.z)**2 / float(nucleus.a)**(4./3.))
+    coef_5 = 0.717 * (compound.z**2 / float(compound.a)**(1./3.) - \
+        nucleus.z**2 / float(nucleus.a)**(1./3.))
+    coef_6 = 1.211 * (compound.z**2 / float(compound.a) - \
+        nucleus.z**2 / float(nucleus.a))
+
+    separation_energy = coef_1 - coef_2 - coef_3 + coef_4 \
+        - coef_5 + coef_6 - particle.breaking_energy
+
+    return separation_energy
+
+
+def _return_entrance_channel_energy(e_p, awr_t, awr_p):
+    """Returns the entrance channel energy as defined in ENDF-6 manual
+    BNL-203218-2018-INRE, Revision 215, File 6 description for LAW=1
+    and LANG=2.
+
+    Parameters
+    ----------
+    e_p: float
+        Energy of the incident projectile in the laboratory system in eV
+    awr_t: float
+        Atomic weight ratio of the target
+    awr_p: float
+        Atomic weight ratio of the projectile
+
+    Returns
+    -------
+    epsilon_p: float
+        Entrance channel energy in eV
+
+    """
+    epsilon_p = e_p * awr_t / (awr_t + awr_p)
+    return epsilon_p
+
+
+def _return_emission_channel_energy(e_e, awr_r, awr_e):
+    """Returns the emission channel energy as defined in ENDF-6 manual
+    BNL-203218-2018-INRE, Revision 215, File 6 description for LAW=1
+    and LANG=2.
+
+    Parameters
+    ----------
+    e_e: float
+        Energy of the emitted particle in the center of mass system in eV
+    awr_r: float
+        Atomic weight ratio of the residual nucleus
+    awr_e: float
+        Atomic weight ratio of the emitted particle
+
+    Returns
+    -------
+    epsilon_e: float
+        Emission channel energy in eV
+
+    """
+    epsilon_e = e_e * (awr_r + awr_e) / awr_r
+    return epsilon_e
+
+
+def _calculate_kalbach_slope(energy_projectile,
+                             energy_emitted,
+                             projectile,
+                             target,
+                             compound,
+                             emitted,
+                             residual):
+    """Calculate the Kalbach slope for projectiles other than photons
+    as defined in ENDF-6 manual BNL-203218-2018-INRE, Revision 215,
+    File 6 description for LAW=1 and LANG=2.
+
+    The entrance and emission channel energies are not calculated with
+    the AWR number, but approximated with the number of mass instead.
+
+    Parameters
+    ----------
+    energy_projectile: float
+        Energy of the projectile in the laboratory system in eV
+    energy_emitted: float
+        Energy of the emitted particle in the center of mass system in eV
+    projectile: AtomicRepresentation
+        Atomic representation of the projectile
+    target: AtomicRepresentation
+        Atomic representation of the target
+    compound: AtomicRepresentation
+        Atomic representation of the compound
+    emitted: AtomicRepresentation
+        Atomic representation of the emitted particle
+    residual: AtomicRepresentation
+        Atomic representation of the residual nucleus
+
+    Returns
+    -------
+    slope: float
+        Kalbach-Mann slope
+
+    """
+    epsilon_a = _return_entrance_channel_energy(
+        energy_projectile,
+        target.a,
+        projectile.a
+    ) / EV_PER_MEV
+    epsilon_b = _return_emission_channel_energy(
+        energy_emitted,
+        residual.a,
+        emitted.a
+    ) / EV_PER_MEV
+
+    s_a = _calculate_separation_energy(compound, target, projectile)
+    s_b = _calculate_separation_energy(compound, residual, emitted)
+
+    e_a = epsilon_a + s_a
+    e_b = epsilon_b + s_b
+
+    r_1 = min(e_a, _ET1)
+    r_3 = min(e_a, _ET3)
+
+    x_1 = r_1 * e_b / e_a
+    x_3 = r_3 * e_b / e_a
+
+    slope = _C1 * x_1 \
+        + _C2 * x_1**3 \
+        + _C3 * projectile.M * emitted.m * x_3**4
+
+    return slope
+
+
+def return_kalbach_slope(energy_projectile,
+                         energy_emitted,
+                         iza_projectile,
+                         iza_emitted,
+                         iza_target):
+    """Returns Kalbach-Mann slope from calculations.
+    
+    The associated reaction is defined as:
+    A + a -> C -> B + b
+
+    Where:
+
+    - A is the targeted nucleus,
+    - a is the projectile,
+    - C is the compound,
+    - B is the residual nucleus,
+    - b is the emitted particle.
+
+    This function uses the concept of ZA identifier defined as:
+    iza = Z x 1000 + A,
+    where Z is the number of protons and A the number of nucleons.
+
+    The Kalbach-Mann slope calculation is done as defined in ENDF-6 manual
+    BNL-203218-2018-INRE, Revision 215, File 6 description for LAW=1 and
+    LANG=2. One exception to this, is that the entrance and emission channel
+    energies are not calculated with the AWR number, but approximated with
+    the number of mass instead.
+
+    Parameters
+    ----------
+    energy_projectile: float
+        Energy of the projectile in the laboratory system in eV
+    energy_emitted: float
+        Energy of the emitted particle in the center of mass system in eV
+    iza_projectile: int
+        ZA identifier of the projectile
+    iza_emitted: int
+        ZA identifier of the emitted particle
+    iza_target: int
+        ZA identifier of the targeted nucleus
+
+    Raises
+    ------
+    NotImplementedError:
+        When the ZA identifier of the projectile is not equal to 1
+        (ie. other than a neutron).
+
+    Returns
+    -------
+    slope: float
+        Kalbach-Mann slope given with the same format as ACE file.
+
+    """
+    # TODO: develop for photons as projectile
+    # TODO: test for other particles than neutron
+    if iza_projectile != 1:
+        raise NotImplementedError(
+            "Developed and tested for neutron projectile only."
+        )
+
+    projectile = AtomicRepresentation.from_iza(iza_projectile)
+    emitted = AtomicRepresentation.from_iza(iza_emitted)
+    target = AtomicRepresentation.from_iza(iza_target)
+    compound = projectile + target
+    residual = compound - emitted
+
+    slope = _calculate_kalbach_slope(
+        energy_projectile,
+        energy_emitted,
+        projectile,
+        target,
+        compound,
+        emitted,
+        residual
+    )
+
+    return float("%7e" % slope)
+
+
 class KalbachMann(AngleEnergy):
     """Kalbach-Mann distribution
 
@@ -319,7 +782,7 @@ class KalbachMann(AngleEnergy):
             n_energy_out = int(ace.xss[idx + 1])
             data = ace.xss[idx + 2:idx + 2 + 5*n_energy_out].copy()
             data.shape = (5, n_energy_out)
-            data[0,:] *= EV_PER_MEV
+            data[0, :] *= EV_PER_MEV
 
             # Create continuous distribution
             eout_continuous = Tabular(data[0][n_discrete_lines:],
@@ -352,13 +815,28 @@ class KalbachMann(AngleEnergy):
         return cls(breakpoints, interpolation, energy, energy_out, km_r, km_a)
 
     @classmethod
-    def from_endf(cls, file_obj):
-        """Generate Kalbach-Mann distribution from an ENDF evaluation
+    def from_endf(cls, file_obj, iza_emitted, iza_target, projectile_mass):
+        """Generate Kalbach-Mann distribution from an ENDF evaluation.
+
+        If the projectile is a neutron, the slope is calculated when it is
+        not given explicitly.
 
         Parameters
         ----------
         file_obj : file-like object
             ENDF file positioned at the start of the Kalbach-Mann distribution
+        iza_emitted : int
+            ZA identifier of the emitted particle
+        iza_target : int
+            ZA identifier of the target
+        projectile_mass: float
+            Mass of the projectile
+
+        Warns
+        -----
+        UserWarning
+            If the mass of the projectile is not equal to 1 (other than
+            a neutron), the slope is not calculated and set to 0 if missing.
 
         Returns
         -------
@@ -374,6 +852,7 @@ class KalbachMann(AngleEnergy):
         energy_out = []
         precompound = []
         slope = []
+        calculated_slope = []
         for i in range(ne):
             items, values = get_list_record(file_obj)
             energy[i] = items[1]
@@ -385,19 +864,46 @@ class KalbachMann(AngleEnergy):
             values.shape = (n_energy_out, n_angle + 2)
 
             # Outgoing energy distribution at the i-th incoming energy
-            eout_i = values[:,0]
-            eout_p_i = values[:,1]
+            eout_i = values[:, 0]
+            eout_p_i = values[:, 1]
             energy_out_i = Tabular(eout_i, eout_p_i, INTERPOLATION_SCHEME[lep])
             energy_out.append(energy_out_i)
 
-            # Precompound and slope factors for Kalbach-Mann
-            r_i = values[:,2]
+            # Precompound factors for Kalbach-Mann
+            r_i = values[:, 2]
+
+            # Slope factors for Kalbach-Mann
             if n_angle == 2:
-                a_i = values[:,3]
+                a_i = values[:, 3]
+                calculated_slope.append(False)
             else:
-                a_i = np.zeros_like(r_i)
+                # Check if the projectile is not a neutron
+                if not np.isclose(projectile_mass, 1.0, atol=1.0e-12, rtol=0.):
+                    warn(
+                        "Kalbach-Mann slope calculation is only available with "
+                        "neutrons as projectile. Slope coefficients are set to 0."
+                    )
+                    a_i = np.zeros_like(r_i)
+                    calculated_slope.append(False)
+
+                else:
+                    # TODO: retrieve IZA of the projectile
+                    iza_projectile = 1
+                    a_i = [return_kalbach_slope(energy_projectile=energy[i],
+                                                energy_emitted=e,
+                                                iza_projectile=iza_projectile,
+                                                iza_emitted=iza_emitted,
+                                                iza_target=iza_target)
+                           for e in eout_i]
+                    calculated_slope.append(True)
+
             precompound.append(Tabulated1D(eout_i, r_i))
             slope.append(Tabulated1D(eout_i, a_i))
 
-        return cls(tab2.breakpoints, tab2.interpolation, energy,
-                   energy_out, precompound, slope)
+        km_distribution = cls(tab2.breakpoints, tab2.interpolation, energy,
+                              energy_out, precompound, slope)
+
+        # List of bool to indicate slope calculation by OpenMC
+        km_distribution._calculated_slope = calculated_slope
+
+        return km_distribution
diff --git a/openmc/data/njoy.py b/openmc/data/njoy.py
index 305edaf4f..fbb26be05 100644
--- a/openmc/data/njoy.py
+++ b/openmc/data/njoy.py
@@ -127,7 +127,7 @@ acer / %%%%%%%%%%%%%%%%%%%%%%%% Write out in ACE format %%%%%%%%%%%%%%%%%%%%%%%%
 1 0 1 .{ext} /
 '{library}: {zsymam} at {temperature}'/
 {mat} {temperature}
-1 1/
+1 1 {ismoothing}/
 /
 """
 
@@ -248,7 +248,8 @@ def make_pendf(filename, pendf='pendf', error=0.001, stdout=False):
 
 def make_ace(filename, temperatures=None, acer=True, xsdir=None,
              output_dir=None, pendf=False, error=0.001, broadr=True,
-             heatr=True, gaspr=True, purr=True, evaluation=None, **kwargs):
+             heatr=True, gaspr=True, purr=True, evaluation=None,
+             smoothing=True, **kwargs):
     """Generate incident neutron ACE file from an ENDF file
 
     File names can be passed to
@@ -298,6 +299,8 @@ def make_ace(filename, temperatures=None, acer=True, xsdir=None,
     evaluation : openmc.data.endf.Evaluation, optional
         If the ENDF file contains multiple material evaluations, this argument
         indicates which evaluation should be used.
+    smoothing : bool, optional
+        If the smoothing option in ACER is on (1) or off (0) in the card 6.
     **kwargs
         Keyword arguments passed to :func:`openmc.data.njoy.run`
 
@@ -380,6 +383,10 @@ def make_ace(filename, temperatures=None, acer=True, xsdir=None,
 
     # acer
     if acer:
+        if smoothing is True:
+            ismoothing = 1
+        else:
+            ismoothing = 0
         nacer_in = nlast
         for i, temperature in enumerate(temperatures):
             # Extend input with an ACER run for each temperature
diff --git a/openmc/data/reaction.py b/openmc/data/reaction.py
index 5e4287f16..42fc576da 100644
--- a/openmc/data/reaction.py
+++ b/openmc/data/reaction.py
@@ -80,6 +80,14 @@ def _get_products(ev, mt):
     mt : int
         The MT value of the reaction to get products for
 
+    Raises
+    ------
+    IOError:
+        When the Kalbach-Mann systematics is used, but the product
+        is not defined in the 'center-of-mass' system. The breakup logic
+        is not implemented which can lead to this error being raised while
+        the definition of the product is correct.
+
     Returns
     -------
     products : list of openmc.data.Product
@@ -141,7 +149,26 @@ def _get_products(ev, mt):
             if lang == 1:
                 p.distribution = [CorrelatedAngleEnergy.from_endf(file_obj)]
             elif lang == 2:
-                p.distribution = [KalbachMann.from_endf(file_obj)]
+                # Products need to be described in the center-of-mass system
+                product_center_of_mass = False
+                if reference_frame == 'center-of-mass':
+                    product_center_of_mass = True
+                elif reference_frame == 'light-heavy':
+                    product_center_of_mass = (awr <= 4.0)
+                # TODO: 'breakup' logic not implemented
+
+                if product_center_of_mass is False:
+                    raise IOError(
+                        "Kalbach-Mann representation must be defined in the "
+                        "'center-of-mass' system"
+                    )
+
+                zat = ev.target["atomic_number"] * 1000 + ev.target["mass_number"]
+                projectile_mass = ev.projectile["mass"]
+                p.distribution = [KalbachMann.from_endf(file_obj,
+                                                        za,
+                                                        zat,
+                                                        projectile_mass)]
 
         elif law == 2:
             # Discrete two-body scattering
diff --git a/tests/unit_tests/test_data_kalbach_mann.py b/tests/unit_tests/test_data_kalbach_mann.py
new file mode 100644
index 000000000..99869808d
--- /dev/null
+++ b/tests/unit_tests/test_data_kalbach_mann.py
@@ -0,0 +1,280 @@
+"""Test of the Kalbach-Mann slope calculation when data are
+retrieved from ENDF files."""
+
+import os
+import pytest
+import numpy as np
+
+from openmc.data import IncidentNeutron
+from openmc.data import AtomicRepresentation
+from openmc.data.kalbach_mann import _BREAKING_ENERGY_TRITON
+from openmc.data.kalbach_mann import _M_TRITON
+from openmc.data.kalbach_mann import _SM_TRITON
+from openmc.data.kalbach_mann import _calculate_separation_energy
+from openmc.data.kalbach_mann import _return_emission_channel_energy
+from openmc.data.kalbach_mann import _return_entrance_channel_energy
+from openmc.data.kalbach_mann import _calculate_kalbach_slope
+from openmc.data import return_kalbach_slope
+from openmc.data import KalbachMann
+
+from . import needs_njoy
+
+
+@pytest.fixture(scope='module')
+def neutron():
+    """Neutron AtomicRepresentation."""
+    return AtomicRepresentation(z=0, a=1)
+
+
+@pytest.fixture(scope='module')
+def triton():
+    """Triton AtomicRepresentation."""
+    return AtomicRepresentation(z=1, a=3)
+
+
+@pytest.fixture(scope='module')
+def b10():
+    """B10 AtomicRepresentation."""
+    return AtomicRepresentation(z=5, a=10)
+
+
+@pytest.fixture(scope='module')
+def c12():
+    """C12 AtomicRepresentation."""
+    return AtomicRepresentation(z=6, a=12)
+
+
+@pytest.fixture(scope='module')
+def c13():
+    """C13 AtomicRepresentation."""
+    return AtomicRepresentation(z=6, a=13)
+
+
+@pytest.fixture(scope='module')
+def na23():
+    """Na23 AtomicRepresentation."""
+    return AtomicRepresentation(z=11, a=23)
+
+
+def test_atomic_representation(neutron, triton, b10, c12, c13, na23):
+    """Test the AtomicRepresentation class."""
+    # Test instanciation from_iza
+    assert b10 == AtomicRepresentation.from_iza(5010)
+
+    # Test instanciation from_iza using IZA translation
+    assert c12 == AtomicRepresentation.from_iza(6000)
+
+    # Test addition
+    assert c13 + b10 == na23
+
+    # Test substraction
+    assert c13 - c12 == neutron
+    assert c13 - b10 == triton
+
+    # Test properties when no information for Kalbach-Mann are given
+    assert c13.a == 13
+    assert c13.z == 6
+    assert c13.n == 7
+    assert c13.breaking_energy is None
+    assert c13.M is None
+    assert c13.m is None
+    assert c13.iza == 6013
+
+    # Test properties when information for Kalbach-Mann are given
+    assert triton.a == 3
+    assert triton.z == 1
+    assert triton.n == 2
+    assert triton.breaking_energy == _BREAKING_ENERGY_TRITON
+    assert triton.M == _M_TRITON
+    assert triton.m == _SM_TRITON
+    assert triton.iza == 1003
+
+    # Test instanciation errors
+    with pytest.raises(IOError):
+        AtomicRepresentation(z=5, a=1)
+    with pytest.raises(ValueError):
+        AtomicRepresentation(z=-1, a=1)
+    with pytest.raises(IOError):
+        AtomicRepresentation(z=5, a=0)
+    with pytest.raises(IOError):
+        AtomicRepresentation(z=5, a=-2)
+    with pytest.raises(OSError):
+        neutron - triton
+
+
+def test__calculate_separation_energy(triton, b10, c13):
+    """Comparison to hand-calculations on a simple example."""
+    assert _calculate_separation_energy(
+        compound=c13,
+        nucleus=b10,
+        particle=triton
+    ) == pytest.approx(18.6880713)
+
+
+def test__return_entrance_channel_energy():
+    """Comparison to hand-calculations on a simple example."""
+    assert _return_entrance_channel_energy(
+        e_p=5.2,
+        awr_t=13.7,
+        awr_p=7.2
+    ) == pytest.approx(3.4086124)
+
+
+def test__return_emission_channel_energy():
+    """Comparison to hand-calculations on a simple example."""
+    assert _return_emission_channel_energy(
+        e_e=6.8,
+        awr_r=49.2,
+        awr_e=5.4
+    ) == pytest.approx(7.5463415)
+
+
+def test__calculate_kalbach_slope(neutron, triton, b10, c12, c13):
+    """Comparison to hand-calculations for n + c12 -> c13 -> triton + b10."""
+    energy_projectile = 10.2  # [eV]
+    energy_emitted = 5.4  # [eV]
+
+    assert _calculate_kalbach_slope(
+        energy_projectile=energy_projectile,
+        energy_emitted=energy_emitted,
+        projectile=neutron,
+        target=c12,
+        compound=c13,
+        emitted=triton,
+        residual=b10
+    ) == pytest.approx(0.8409921475)
+
+
+def test_return_kalbach_slope():
+    """Comparison to hand-calculations for n + c12 -> c13 -> triton + b10."""
+    energy_projectile = 10.2  # [eV]
+    energy_emitted = 5.4  # [eV]
+
+    # Check that NotImplementedError is raised if the projectile is not
+    # a neutron
+    with pytest.raises(NotImplementedError):
+        return_kalbach_slope(
+            energy_projectile=energy_projectile,
+            energy_emitted=energy_emitted,
+            iza_projectile=1000,
+            iza_emitted=1,
+            iza_target=6012
+        )
+
+    assert return_kalbach_slope(
+        energy_projectile=energy_projectile,
+        energy_emitted=energy_emitted,
+        iza_projectile=1,
+        iza_emitted=1003,
+        iza_target=6012
+    ) == pytest.approx(0.8409921475)
+
+
+@pytest.mark.parametrize(
+    "hdf5_filename, endf_type, endf_filename", [
+        ('O16.h5', 'neutrons', 'n-008_O_016.endf'),
+        ('Ca46.h5', 'neutrons', 'n-020_Ca_046.endf'),
+        ('Hg204.h5', 'neutrons', 'n-080_Hg_204.endf')
+    ]
+)
+def test_comparison_slope_hdf5(hdf5_filename, endf_type, endf_filename):
+    """Test the calculation of the Kalbach-Mann slope done by OpenMC
+    by comparing it to HDF5 data. The test is based on the first product
+    of MT=5 (neutron). The isotopes tested have been selected because the
+    corresponding products in ENDF/B-VII.1 are described using MF=6, LAW=1,
+    LANG=2 (ie. Kalbach-Mann systematics) and the slope is not given
+    explicitly.
+
+    If an error occurs during the "validity check", this means that
+    the nuclear data evaluation has evolved and the distribution might
+    no longer be described using Kalbach-Mann systematics. Another
+    isotope needs to be identified and tested.
+
+    Warning: This test is valid as long as ENDF files are not directly
+    used to generate the HDF5 files used in the tests.
+
+    """
+    # HDF5 data
+    hdf5_directory = os.path.dirname(os.environ['OPENMC_CROSS_SECTIONS'])
+    hdf5_path = os.path.join(hdf5_directory, hdf5_filename)
+    hdf5_data = IncidentNeutron.from_hdf5(hdf5_path)
+    hdf5_product = hdf5_data[5].products[0]
+    hdf5_distribution = hdf5_product.distribution[0]
+
+    # ENDF data
+    endf_directory = os.environ['OPENMC_ENDF_DATA']
+    endf_path = os.path.join(endf_directory, endf_type, endf_filename)
+    endf_data = IncidentNeutron.from_endf(endf_path)
+    endf_product = endf_data[5].products[0]
+    endf_distribution = endf_product.distribution[0]
+
+    # Validity check
+    assert isinstance(endf_distribution, KalbachMann)
+    assert isinstance(hdf5_distribution, KalbachMann)
+    assert endf_product.particle == hdf5_product.particle
+    assert len(endf_distribution.slope) == len(hdf5_distribution.slope)
+
+    # Results check
+    for i, hdf5_slope in enumerate(hdf5_distribution.slope):
+
+        assert endf_distribution._calculated_slope[i] is True
+
+        np.testing.assert_array_almost_equal(
+            endf_distribution.slope[i].y,
+            hdf5_slope.y,
+            decimal=6
+        )
+
+
+@needs_njoy
+@pytest.mark.parametrize(
+    "endf_type, endf_filename", [
+        ('neutrons', 'n-008_O_016.endf'),
+        ('neutrons', 'n-020_Ca_046.endf'),
+        ('neutrons', 'n-080_Hg_204.endf')
+    ]
+)
+def test_comparison_slope_njoy(endf_type, endf_filename):
+    """Test the calculation of the Kalbach-Mann slope done by OpenMC
+    by comparing it to an NJOY calculation. The test is based on
+    the first product of MT=5 (neutron). The isotopes tested have
+    been selected because the corresponding products in ENDF/B-VII.1
+    are described using MF=6, LAW=1, LANG=2 (ie. Kalbach-Mann
+    systematics) and the slope is not given explicitly.
+
+    If an error occurs during the "validity check", this means that
+    the nuclear data evaluation has evolved and the distribution might
+    no longer be described using Kalbach-Mann systematics. Another
+    isotope needs to be identified and tested.
+
+    """
+    endf_directory = os.environ['OPENMC_ENDF_DATA']
+    endf_path = os.path.join(endf_directory, endf_type, endf_filename)
+
+    # ENDF data
+    endf_data = IncidentNeutron.from_endf(endf_path)
+    endf_product = endf_data[5].products[0]
+    endf_distribution = endf_product.distribution[0]
+
+    # NJOY data
+    njoy_data = IncidentNeutron.from_njoy(endf_path, heatr=False, gaspr=False,
+                                          purr=False, smoothing=False)
+    njoy_product = njoy_data[5].products[0]
+    njoy_distribution = njoy_product.distribution[0]
+
+    # Validity check
+    assert isinstance(endf_distribution, KalbachMann)
+    assert isinstance(njoy_distribution, KalbachMann)
+    assert endf_product.particle == njoy_product.particle
+    assert len(endf_distribution.slope) == len(njoy_distribution.slope)
+
+    # Results check
+    for i, njoy_slope in enumerate(njoy_distribution.slope):
+
+        assert endf_distribution._calculated_slope[i] is True
+
+        np.testing.assert_array_almost_equal(
+            endf_distribution.slope[i].y,
+            njoy_slope.y,
+            decimal=6
+        )

From 8f564052e5e6f818bd4d2b0e9ea20116c497622c Mon Sep 17 00:00:00 2001
From: Joffrey Dorville <joffreydorville@mines.edu>
Date: Sat, 2 Apr 2022 00:05:32 -0600
Subject: [PATCH 0162/2654] Add the Kalbach-Mann slope documentation

---
 docs/source/pythonapi/data.rst | 2 ++
 1 file changed, 2 insertions(+)

diff --git a/docs/source/pythonapi/data.rst b/docs/source/pythonapi/data.rst
index 95fdfeca9..471be43d8 100644
--- a/docs/source/pythonapi/data.rst
+++ b/docs/source/pythonapi/data.rst
@@ -24,6 +24,7 @@ and product yields.
     FissionProductYields
     WindowedMultipole
     ProbabilityTables
+    AtomicRepresentation
 
 The following classes are used for storing atomic data (incident photon cross
 sections, atomic relaxation):
@@ -68,6 +69,7 @@ Core Functions
     thin
     water_density
     zam
+    return_kalbach_slope
 
 One-dimensional Functions
 -------------------------

From f266740bf0a6a99fc602f8f9384841d837b1b20d Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Mon, 4 Apr 2022 12:27:45 -0500
Subject: [PATCH 0163/2654] added numpy imports, plane helper function

---
 openmc/model/surface_composite.py | 33 ++++++++++++++++++++-----------
 1 file changed, 22 insertions(+), 11 deletions(-)

diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index 31b6222a8..deb8e9846 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -3,7 +3,18 @@ from copy import copy
 
 import openmc
 from openmc.checkvalue import check_greater_than, check_value
+from numpy import sqrt, cross, dot, array
 
+def _plane_from_points(p1, p2, p3):
+    # get plane from points p1, p2, p3
+    n = cross(p2 - p1, p3 - p1)
+    n0 = -p1
+    A = n[0]
+    B = n[1]
+    C = n[2]
+    D = dot(n, n0)
+
+    return [A, B, C, -D]
 
 class CompositeSurface(ABC):
     """Multiple primitive surfaces combined into a composite surface"""
@@ -114,8 +125,8 @@ class Octagon(CompositeSurface):
         cleft = q2c-r1
 
         # Side lengths
-        L_perp_ax1 = (r2 * np.sqrt(2) - r1) * 2
-        L_perp_ax2 = (r1 * np.sqrt(2) - r2) * 2
+        L_perp_ax1 = (r2 * sqrt(2) - r1) * 2
+        L_perp_ax2 = (r1 * sqrt(2) - r2) * 2
 
         # Coords for quadrant planes
         p1_ur = [L_perp_ax1/2, r1, 0]
@@ -154,7 +165,7 @@ class Octagon(CompositeSurface):
             p_temp = []
             for i in coord_map:
                 p_temp += [p[i]]
-            calibrated_points += [np.array(p_temp)]
+            calibrated_points += [array(p_temp)]
 
         p1_ur, p2_ur, p3_ur, p1_lr, p2_lr, p3_lr = calibrated_points
 
@@ -170,27 +181,27 @@ class Octagon(CompositeSurface):
 
 
     def __neg__(self):
-        reg = -self.top & +self.bottom & -self.right & +self.left
+        region1 = -self.top & +self.bottom & -self.right & +self.left
         if self._axis == 'y':
-            reg = reg & -self.upper_right & -self.lower_right & \
+            region2 = -self.upper_right & -self.lower_right & \
                 +self.lower_left & +self.upper_left
         else:
-            reg = reg & +self.upper_right & +self.lower_right & \
+            region2 = +self.upper_right & +self.lower_right & \
                 -self.lower_left & -self.upper_left
 
-        return reg
+        return region1 & region2
 
 
     def __pos__(self):
-        reg = +self.top | -self.bottom | +self.right | -self.left
+        region1 = +self.top | -self.bottom | +self.right | -self.left
         if self._axis == 'y':
-            reg = reg | +self.upper_right | +self.lower_right | \
+            region2 = +self.upper_right | +self.lower_right | \
                 -self.lower_left | -self.upper_left
         else:
-            reg = reg | -self.upper_right | -self.lower_right | \
+            region2 = -self.upper_right | -self.lower_right | \
                 +self.lower_left | +self.upper_left
 
-        return reg
+        return region1 | region2
 
 
 class RightCircularCylinder(CompositeSurface):

From 1648b854a4f91a1efefd203620cfb19abf3e7d68 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Mon, 4 Apr 2022 12:27:58 -0500
Subject: [PATCH 0164/2654] Added unit test for Octagon

---
 tests/unit_tests/test_surface_composite.py | 72 ++++++++++++++++++++++
 1 file changed, 72 insertions(+)

diff --git a/tests/unit_tests/test_surface_composite.py b/tests/unit_tests/test_surface_composite.py
index a1a218311..d3ec10cf4 100644
--- a/tests/unit_tests/test_surface_composite.py
+++ b/tests/unit_tests/test_surface_composite.py
@@ -150,3 +150,75 @@ def test_cone_one_sided(axis, point_pos, point_neg, ll_true):
 
     # Make sure repr works
     repr(s)
+
+
+@pytest.mark.parametrize(
+    "axis, plane_tb, plane_lr, axis_idx", [
+        ("x", "Z", "Y", 0),
+        ("y", "Z", "X", 1),
+        ("z", "Y", "X", 2),
+    ]
+)
+def test_octagon(axis, plane_tb, plane_lr, axis_idx):
+    center = np.array([0.,0.])
+    point_pos = np.array([0.8,0.8])
+    point_neg = np.array([0.7,0.7])
+    r1 = 1.
+    r2 = 1.
+    plane_top_bottom = getattr(openmc, plane_tb + "Plane")
+    plane_left_right = getattr(openmc, plane_lr + "Plane")
+    s = openmc.model.Octagon(center, r1, r2, axis=axis)
+    assert isinstance(s.top, plane_top_bottom)
+    assert isinstance(s.bottom, plane_top_bottom)
+    assert isinstance(s.right, plane_left_right)
+    assert isinstance(s.left, plane_left_right)
+    assert isinstance(s.upper_right, openmc.Plane)
+    assert isinstance(s.lower_right, openmc.Plane)
+    assert isinstance(s.upper_left, openmc.Plane)
+    assert isinstance(s.lower_left, openmc.Plane)
+
+    # Make sure boundary condition propagates
+    s.boundary_type = 'reflective'
+    assert s.boundary_type == 'reflective'
+    assert s.top.boundary_type == 'reflective'
+    assert s.bottom.boundary_type == 'reflective'
+    assert s.right.boundary_type == 'reflective'
+    assert s.left.boundary_type == 'reflective'
+    assert s.upper_right.boundary_type == 'reflective'
+    assert s.lower_right.boundary_type == 'reflective'
+    assert s.lower_left.boundary_type == 'reflective'
+    assert s.upper_left.boundary_type == 'reflective'
+
+    # Check bounding box
+    center = np.insert(center, axis_idx, np.inf)
+    xmax,ymax,zmax = center + r1
+    coord_min = center - r1
+    coord_min[axis_idx] *= -1
+    xmin,ymin,zmin = coord_min
+    ll, ur = (+s).bounding_box
+    assert np.all(np.isinf(ll))
+    assert np.all(np.isinf(ur))
+    ll, ur = (-s).bounding_box
+    assert ur == pytest.approx((xmax, ymax, zmax))
+    assert ll == pytest.approx((xmin, ymin, zmin))
+
+    # __contains__ on associated half-spaces
+    point_pos = np.insert(point_pos, axis_idx, 0)
+    point_neg = np.insert(point_neg, axis_idx, 0)
+    assert point_pos in +s
+    assert point_pos not in -s
+    assert point_neg in -s
+    assert point_neg not in +s
+
+    # translate method
+    t = uniform(-5.0, 5.0)
+    s_t = s.translate((t, t, t))
+    ll_t, ur_t = (-s_t).bounding_box
+    assert ur_t == pytest.approx(ur + t)
+    assert ll_t == pytest.approx(ll + t)
+
+    # Make sure repr works
+    repr(s)
+
+
+

From 020ebb9374f65590b3094fd3eb14fe603f61ce08 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Mon, 4 Apr 2022 12:47:23 -0500
Subject: [PATCH 0165/2654] fix typos in docstring for Octagon

---
 openmc/model/surface_composite.py | 31 +++++++++++++++----------------
 1 file changed, 15 insertions(+), 16 deletions(-)

diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index deb8e9846..be5736794 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -64,38 +64,37 @@ class CompositeSurface(ABC):
 class Octagon(CompositeSurface):
     """Infinite octogonal prism composite surface
 
-    An octagonal prism is composed of eight surfaces. The prism is parallel to
-    the x, y, or z axis; two pars of surfaces are perpendicualr to the z and y,
-    x and z, or y and x axes, respectively.
+    An octagonal prism is composed of eight planar surfaces. The prism is
+    parallel to the x, y, or z axis; two pars of surfaces are perpendicular to
+    the y and z, x and z, or x and y axes, respectively.
 
-    This class
-    acts as a proper surface, meaning that unary `+` and `-` operators applied
-    to it will produce a half-space. The negative side is defined to be the
-    region inside of the octogonal prism.
+    This class acts as a proper surface, meaning that unary `+` and `-`
+    operators applied to it will produce a half-space. The negative side is
+    defined to be the region inside of the octogonal prism.
 
     Parameters
     ----------
-    center : 2-tuple
-        (q1,q2) coordinate for the center of the octagon. (q1,q2) pairs are
-        (x,y), (x,z), or (x,z).
+    center : iterable of float
+        (q1,q2) coordinate for the central axis of the octagon. (q1,q2) pairs
+        are (y,z), (x,z), or (x,y).
     r1 : float
-        Half-width of octagon across axis-perpendicualr sides
+        Half-width of octagon across axis-pendicular sides
     r2 : float
         Half-width of octagon across off-axis sides
     axis : {'x', 'y', 'z'}
-        Central axis of ocatgon. Defaults to 'z'
+        Central axis of octagon. Defaults to 'z'
     **kwargs
         Keyword arguments passed to underlying cylinder and plane classes
 
     Attributes
     ----------
-    top : openmc.ZPlane or openmc.XPlane
+    top : openmc.ZPlane or openmc.YPlane
         Top planar surface of octagon
-    bottom : openmc.ZPlane or openmc.XPlane
+    bottom : openmc.ZPlane or openmc.YPlane
         Bottom planar surface of octagon
-    right: openmc.YPlane or openmc.ZPlane
+    right: openmc.YPlane or openmc.XPlane
         Right planaer surface of octagon
-    left: openmc.YPlane or openmc.ZPlane
+    left: openmc.YPlane or openmc.XPlane
         Left planar surface of octagon
     upper_right : openmc.Plane
         Upper right planar surface of octagon

From 71e76b251e1f9724fab1461d7ff824ff18aaabd2 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Mon, 4 Apr 2022 12:47:44 -0500
Subject: [PATCH 0166/2654] Add reference to Octagon in the Sphinx docs

---
 docs/source/pythonapi/model.rst | 1 +
 1 file changed, 1 insertion(+)

diff --git a/docs/source/pythonapi/model.rst b/docs/source/pythonapi/model.rst
index a6c89be7c..2fc27d40e 100644
--- a/docs/source/pythonapi/model.rst
+++ b/docs/source/pythonapi/model.rst
@@ -30,6 +30,7 @@ Composite Surfaces
    openmc.model.XConeOneSided
    openmc.model.YConeOneSided
    openmc.model.ZConeOneSided
+   openmc.model.Octagon
 
 TRISO Fuel Modeling
 -------------------

From f7d304f7955e47a8d98aa52004225dccee8fa344 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Mon, 4 Apr 2022 13:02:32 -0500
Subject: [PATCH 0167/2654] use existing openmc function instead of custom one
 for plane_from_points

---
 openmc/model/surface_composite.py | 29 +++++++----------------------
 1 file changed, 7 insertions(+), 22 deletions(-)

diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index be5736794..02022fa3c 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -3,18 +3,8 @@ from copy import copy
 
 import openmc
 from openmc.checkvalue import check_greater_than, check_value
-from numpy import sqrt, cross, dot, array
-
-def _plane_from_points(p1, p2, p3):
-    # get plane from points p1, p2, p3
-    n = cross(p2 - p1, p3 - p1)
-    n0 = -p1
-    A = n[0]
-    B = n[1]
-    C = n[2]
-    D = dot(n, n0)
-
-    return [A, B, C, -D]
+import openmc.Plane.from_points as plane_from_points
+from numpy import sqrt
 
 class CompositeSurface(ABC):
     """Multiple primitive surfaces combined into a composite surface"""
@@ -164,19 +154,14 @@ class Octagon(CompositeSurface):
             p_temp = []
             for i in coord_map:
                 p_temp += [p[i]]
-            calibrated_points += [array(p_temp)]
+            calibrated_points += [p_temp]
 
         p1_ur, p2_ur, p3_ur, p1_lr, p2_lr, p3_lr = calibrated_points
 
-        upper_right_params = _plane_from_points(p1_ur, p2_ur, p3_ur)
-        lower_right_params = _plane_from_points(p1_lr, p2_lr, p3_lr)
-        lower_left_params = _plane_from_points(-p1_ur, -p2_ur, -p3_ur)
-        upper_left_params = _plane_from_points(-p1_lr, -p2_lr, -p3_lr)
-
-        self.upper_right = openmc.Plane(*tuple(upper_right_params), **kwargs)
-        self.lower_right = openmc.Plane(*tuple(lower_right_params), **kwargs)
-        self.lower_left = openmc.Plane(*tuple(lower_left_params), **kwargs)
-        self.upper_left = openmc.Plane(*tuple(upper_left_params), **kwargs)
+        self.upper_right = plane_from_points(p1_ur, p2_ur, p3_ur, **kwargs)
+        self.lower_right = plane_from_points(p1_lr, p2_lr, p3_lr, **kwargs)
+        self.lower_left = plane_from_points(-p1_ur, -p2_ur, -p3_ur, **kwargs)
+        self.upper_left = plane_from_points(-p1_lr, -p2_lr, -p3_lr, **kwargs)
 
 
     def __neg__(self):

From ab0fcc7ca4e8ef9241fd41e2746239541f0b3a91 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Mon, 4 Apr 2022 13:03:12 -0500
Subject: [PATCH 0168/2654] put Octagon in alphabetical order

---
 docs/source/pythonapi/model.rst | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/docs/source/pythonapi/model.rst b/docs/source/pythonapi/model.rst
index 2fc27d40e..6c707cbdc 100644
--- a/docs/source/pythonapi/model.rst
+++ b/docs/source/pythonapi/model.rst
@@ -25,12 +25,12 @@ Composite Surfaces
    :nosignatures:
    :template: myclass.rst
 
+   openmc.model.Octagon
    openmc.model.RectangularParallelepiped
    openmc.model.RightCircularCylinder
    openmc.model.XConeOneSided
    openmc.model.YConeOneSided
    openmc.model.ZConeOneSided
-   openmc.model.Octagon
 
 TRISO Fuel Modeling
 -------------------

From f4e96453ab10fa1000dcd8e3969ebee70410e11e Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Mon, 4 Apr 2022 14:24:49 -0500
Subject: [PATCH 0169/2654] changed Octagon to IsogonalOctagon

---
 docs/source/pythonapi/model.rst            |  2 +-
 openmc/model/surface_composite.py          | 41 ++++++++++++++--------
 tests/unit_tests/test_surface_composite.py |  4 +--
 3 files changed, 29 insertions(+), 18 deletions(-)

diff --git a/docs/source/pythonapi/model.rst b/docs/source/pythonapi/model.rst
index 6c707cbdc..145330127 100644
--- a/docs/source/pythonapi/model.rst
+++ b/docs/source/pythonapi/model.rst
@@ -25,7 +25,7 @@ Composite Surfaces
    :nosignatures:
    :template: myclass.rst
 
-   openmc.model.Octagon
+   openmc.model.IsogonalOctagon
    openmc.model.RectangularParallelepiped
    openmc.model.RightCircularCylinder
    openmc.model.XConeOneSided
diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index 02022fa3c..897ff0881 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -3,7 +3,6 @@ from copy import copy
 
 import openmc
 from openmc.checkvalue import check_greater_than, check_value
-import openmc.Plane.from_points as plane_from_points
 from numpy import sqrt
 
 class CompositeSurface(ABC):
@@ -51,12 +50,15 @@ class CompositeSurface(ABC):
     def __neg__(self):
         """Return the negative half-space of the composite surface."""
 
-class Octagon(CompositeSurface):
-    """Infinite octogonal prism composite surface
+class IsogonalOctagon(CompositeSurface):
+    """Infinite isogonal octagon composite surface
 
-    An octagonal prism is composed of eight planar surfaces. The prism is
-    parallel to the x, y, or z axis; two pars of surfaces are perpendicular to
-    the y and z, x and z, or x and y axes, respectively.
+    An isogonal octagon is composed of eight planar surfaces. The prism is
+    parallel to the x, y, or z axis. The remaining two axes (y and z, x and z,
+    or x and y) serve as a basis for constructing the surfaces. Two surfaces
+    are parallel to the first basis axis, two surfaces are parallel
+    to the second basis axis, and the remaining four surfaces intersect both
+    basis axes at 45 degree angles.
 
     This class acts as a proper surface, meaning that unary `+` and `-`
     operators applied to it will produce a half-space. The negative side is
@@ -65,16 +67,18 @@ class Octagon(CompositeSurface):
     Parameters
     ----------
     center : iterable of float
-        (q1,q2) coordinate for the central axis of the octagon. (q1,q2) pairs
-        are (y,z), (x,z), or (x,y).
+        Coordinate for the central axis of the octagon in the
+        (y, z), (x, z), or (x, y) basis.
     r1 : float
-        Half-width of octagon across axis-pendicular sides
+        Half-width of octagon across its basis axis-parallel sides in units
+        of cm
     r2 : float
-        Half-width of octagon across off-axis sides
+        Half-width of octagon across its basis axis intersecting sides in
+        units of cm. Must be less than :math:`\sqrt{2} r_1`.
     axis : {'x', 'y', 'z'}
         Central axis of octagon. Defaults to 'z'
     **kwargs
-        Keyword arguments passed to underlying cylinder and plane classes
+        Keyword arguments passed to underlying plane classes
 
     Attributes
     ----------
@@ -114,6 +118,9 @@ class Octagon(CompositeSurface):
         cleft = q2c-r1
 
         # Side lengths
+        if (r2 > r1 * sqrt(2)):
+            raise ValueError(f'r2 must be less than {sqrt(2) * r1}')
+
         L_perp_ax1 = (r2 * sqrt(2) - r1) * 2
         L_perp_ax2 = (r1 * sqrt(2) - r2) * 2
 
@@ -158,10 +165,14 @@ class Octagon(CompositeSurface):
 
         p1_ur, p2_ur, p3_ur, p1_lr, p2_lr, p3_lr = calibrated_points
 
-        self.upper_right = plane_from_points(p1_ur, p2_ur, p3_ur, **kwargs)
-        self.lower_right = plane_from_points(p1_lr, p2_lr, p3_lr, **kwargs)
-        self.lower_left = plane_from_points(-p1_ur, -p2_ur, -p3_ur, **kwargs)
-        self.upper_left = plane_from_points(-p1_lr, -p2_lr, -p3_lr, **kwargs)
+        self.upper_right = openmc.Plane.from_points(p1_ur, p2_ur, p3_ur,
+                                                    **kwargs)
+        self.lower_right = openmc.Plane.from_points(p1_lr, p2_lr, p3_lr,
+                                                    **kwargs)
+        self.lower_left = openmc.Plane.from_points(-p1_ur, -p2_ur, -p3_ur,
+                                                   **kwargs)
+        self.upper_left = openmc.Plane.from_points(-p1_lr, -p2_lr, -p3_lr,
+                                                   **kwargs)
 
 
     def __neg__(self):
diff --git a/tests/unit_tests/test_surface_composite.py b/tests/unit_tests/test_surface_composite.py
index d3ec10cf4..c2620a92a 100644
--- a/tests/unit_tests/test_surface_composite.py
+++ b/tests/unit_tests/test_surface_composite.py
@@ -159,7 +159,7 @@ def test_cone_one_sided(axis, point_pos, point_neg, ll_true):
         ("z", "Y", "X", 2),
     ]
 )
-def test_octagon(axis, plane_tb, plane_lr, axis_idx):
+def test_isogonal_octagon(axis, plane_tb, plane_lr, axis_idx):
     center = np.array([0.,0.])
     point_pos = np.array([0.8,0.8])
     point_neg = np.array([0.7,0.7])
@@ -167,7 +167,7 @@ def test_octagon(axis, plane_tb, plane_lr, axis_idx):
     r2 = 1.
     plane_top_bottom = getattr(openmc, plane_tb + "Plane")
     plane_left_right = getattr(openmc, plane_lr + "Plane")
-    s = openmc.model.Octagon(center, r1, r2, axis=axis)
+    s = openmc.model.IsogonalOctagon(center, r1, r2, axis=axis)
     assert isinstance(s.top, plane_top_bottom)
     assert isinstance(s.bottom, plane_top_bottom)
     assert isinstance(s.right, plane_left_right)

From 0518bdcb7bb08a80f45829c2396c90ffc2fc059a Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Mon, 4 Apr 2022 14:32:14 -0500
Subject: [PATCH 0170/2654] fix plane point calculation

---
 openmc/model/surface_composite.py | 16 ++++++----------
 1 file changed, 6 insertions(+), 10 deletions(-)

diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index 897ff0881..38b3800fa 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -3,7 +3,7 @@ from copy import copy
 
 import openmc
 from openmc.checkvalue import check_greater_than, check_value
-from numpy import sqrt
+from numpy import sqrt, array
 
 class CompositeSurface(ABC):
     """Multiple primitive surfaces combined into a composite surface"""
@@ -161,18 +161,14 @@ class IsogonalOctagon(CompositeSurface):
             p_temp = []
             for i in coord_map:
                 p_temp += [p[i]]
-            calibrated_points += [p_temp]
+            calibrated_points += [array(p_temp)]
 
         p1_ur, p2_ur, p3_ur, p1_lr, p2_lr, p3_lr = calibrated_points
 
-        self.upper_right = openmc.Plane.from_points(p1_ur, p2_ur, p3_ur,
-                                                    **kwargs)
-        self.lower_right = openmc.Plane.from_points(p1_lr, p2_lr, p3_lr,
-                                                    **kwargs)
-        self.lower_left = openmc.Plane.from_points(-p1_ur, -p2_ur, -p3_ur,
-                                                   **kwargs)
-        self.upper_left = openmc.Plane.from_points(-p1_lr, -p2_lr, -p3_lr,
-                                                   **kwargs)
+        self.upper_right = openmc.Plane.from_points(p1_ur, p2_ur, p3_ur, **kwargs)
+        self.lower_right = openmc.Plane.from_points(p1_lr, p2_lr, p3_lr, **kwargs)
+        self.lower_left = openmc.Plane.from_points(-p1_ur, -p2_ur, -p3_ur,  **kwargs)
+        self.upper_left = openmc.Plane.from_points(-p1_lr, -p2_lr, -p3_lr, **kwargs)
 
 
     def __neg__(self):

From 1cc80135f3158a8c9c51199ab282a546c554bc20 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Mon, 4 Apr 2022 16:21:42 -0500
Subject: [PATCH 0171/2654] consitency changes to CylinderSector

---
 openmc/model/surface_composite.py | 89 ++++++++++++++++---------------
 1 file changed, 46 insertions(+), 43 deletions(-)

diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index 0151d19e8..9b674b494 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -2,6 +2,7 @@ from abc import ABC, abstractmethod
 from copy import copy
 
 import openmc
+from math import sin, cos, sqrt
 from openmc.checkvalue import check_greater_than, check_value
 
 
@@ -168,22 +169,24 @@ class RectangularParallelepiped(CompositeSurface):
 class CylinderSector(CompositeSurface):
     """Infinite cylindrical sector composite surface
 
-    This class
-    acts as a proper surface, meaning that unary `+` and `-` operators applied
-    to it will produce a half-space. The negative side is defined to be the
-    region inside of the octogonal prism.
+    This class acts as a proper surface, meaning that unary `+` and `-`
+    operators applied to it will produce a half-space. The negative
+    side is defined to be the region inside of the cylinder sector.
 
     Parameters
     ----------
-    center_axis : 2-tuple
-         (x,y), (x,z), or (y,z) coordiante of cylinders' central axes.
-         Defaults to (0,0)
+    center : iterable of float
+         Coordinate for central axes of cylinders in the (y, z), (x,z), or
+         (x, y) basis. Defaults to (0,0)
     r1, r2 : float
         Inner and outer cylinder radii
-    alpha1, alpha2 : float
-        Angular segmentation in degrees relative to the x-, x-, or y-axis.
+    theta0 : float
+        Angular offset of the sector in degrees relative to the primary basis
+        axis (+y or +x).
+    theta : float
+        Angular width of the sector in degrees.
     axis : {'z', 'y', 'x'}
-        Axes of the cylinders
+        Central axis of the cylinders. Defaults to z
     **kwargs
         Keyword arguments passed to underlying plane classes
 
@@ -193,67 +196,67 @@ class CylinderSector(CompositeSurface):
         Outer cylinder surface
     inner : openmc.ZCylinder, openmc.YCylinder, or openmc.XCylinder
         Inner cylinder surface
-    plane_1 : openmc.Plane
-        Segment plane corresponding to :attr:`alpha1`
-    plane_2 : openmc.Plane
-        Segmenting plane correspodning to :attr:`alpha2`
+    plane0 : openmc.Plane
+        Plane at angle :math:`\theta_0` relative to the first basis axis
+    plane1 : openmc.Plane
+        Plane at angle :math:`\theta_0 + \theta` relative to the first
+        basis axis.
 
     """
 
     _surface_names = ('outer','inner',
-                      'plane_a', 'plane_b')
+                      'plane0', 'plane1')
 
-    def __init__(self, center, r1, r2, alpha1, alpha2, **kwargs):
+    def __init__(self, center, r1, r2, theta0, theta, axis='z', **kwargs):
+
+        theta0 = np.pi / 180 * theta0
+        theta = np.pi / 180 * theta
+        theta1 = theta0 + theta
 
-        alpha1 = np.pi / 180 * alpha1
-        alpha2 = np.pi / 180 * alpha2
         # Coords for axis-perpendicular planes
-        p1 = np.array([0,0,1])
+        p1 = np.array([0,0])
 
-        p2_plane1 = np.array([r1 * np.cos(alpha1), -r1 * np.sin(alpha1), 0])
-        p3_plane1 = np.array([r2 * np.cos(alpha1), -r2 * np.sin(alpha1), 0])
+        p2_plane0 = np.array([r1 * cos(theta0), r1 * sin(theta0)])
+        p3_plane0 = np.array([r2 * cos(theta0), r2 * sin(theta0)])
 
-        p2_plane2 = np.array([r1 * np.cos(alpha2), r1 * np.sin(alpha2), 0])
-        p3_plane2 = np.array([r2 * np.cos(alpha2), r2 * np.sin(alpha2), 0])
+        p2_plane1 = np.array([r1 * cos(theta1), r1 * sin(theta1)])
+        p3_plane1 = np.array([r2 * cos(theta1), r2 * sin(theta1)])
 
-        points = [p1, p2_plane1, p3_plane1, p2_plane2, p3_plane2]
+        points = [p2_plane0, p3_plane0, p2_plane1, p3_plane1]
         if axis == 'x':
-            self.inner = openmc.XCylinder(*center_axis, r=r1, **kwargs)
-            self.outer = openmc.XCylinder(*center_axis, r=r2, **kwargs)
-            coord_map = [2,0,1]
+            self.inner = openmc.XCylinder(*center, r=r1, **kwargs)
+            self.outer = openmc.XCylinder(*center, r=r2, **kwargs)
+            axis_idx = 0
          elif axis == 'y':
-            self.inner = openmc.YCylinder(*center_axis, r=r1, **kwargs)
-            self.outer = openmc.YCylinder(*center_axis, r=r2, **kwargs)
-            coord_map = [0,2,1]
+            self.inner = openmc.YCylinder(*center, r=r1, **kwargs)
+            self.outer = openmc.YCylinder(*center, r=r2, **kwargs)
+            axis_idx = 1
          elif axis == 'z':
-            self.inner = openmc.ZCylinder(*center_axis, r=r1, **kwargs)
-            self.outer = openmc.ZCylinder(*center_axis, r=r2, **kwargs)
-            coord_map = [0,1,2]
+            self.inner = openmc.ZCylinder(*center, r=r1, **kwargs)
+            self.outer = openmc.ZCylinder(*center, r=r2, **kwargs)
+            axis_idx = 3
 
         calibrated_points = []
         for p in points:
             p_temp = []
             for i in coord_map:
-                p_temp += [p[i]]
-            calibrated_points += [np.array(p_temp)]
+            calibrated_points += [np.insert(p, axis_idx, 0)]
 
-        p1, p2_plane1, p3_plane1, p2_plane2, p3_plane2 = calibrated_points
-
-        plane1_params = _plane_from_points(p1, p2_plane1, p3_plane1)
-        plane2_params = _plane_from_points(p1, p2_plane2, p3_plane2)
+        p2_plane0, p3_plane0, p2_plane1, p3_plane1 = calibrated_points
+        p1 = np.insert(p1, axis_idx, 1)
 
+        self.plane0 = openmc.Plane.from_points(p1, p2_plane0, p3_plane0, **kwargs)
+        self.plane1 = openmc.Plane.from_points(p1, p2_plane1, p3_plane1, **kwargs)
         self.inner = openmc.ZCylinder(x0=x0, y0=y0, r=r1, **kwargs)
         self.outer = openmc.ZCylinder(x0=x0, y0=y0, r=r2, **kwargs)
-        self.plane1 = openmc.Plane(*plane1_params, **kwargs)
-        self.plane2 = openmc.Plane(*plane2_params, **kwargs)
 
 
     def __neg__(self):
-        return -self.outer & +self.inner & -self.plane1 &  +self.plane2
+        return -self.outer & +self.inner & -self.plane0 &  +self.plane1
 
 
     def __pos__(self):
-        return +self.outer | -self.inner | +self.plane1 | -self.plane2
+        return +self.outer | -self.inner | +self.plane0 | -self.plane1
 
 class XConeOneSided(CompositeSurface):
     """One-sided cone parallel the x-axis

From ded546802c13706203ade8b9a08b0c523736c5b9 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Mon, 4 Apr 2022 16:33:12 -0500
Subject: [PATCH 0172/2654] fix import statements; relax the error to a warning

---
 openmc/model/surface_composite.py | 10 ++++++----
 1 file changed, 6 insertions(+), 4 deletions(-)

diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index 38b3800fa..ba26a2157 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -1,9 +1,10 @@
 from abc import ABC, abstractmethod
 from copy import copy
+from math import sqrt
+from numpy import array
 
 import openmc
 from openmc.checkvalue import check_greater_than, check_value
-from numpy import sqrt, array
 
 class CompositeSurface(ABC):
     """Multiple primitive surfaces combined into a composite surface"""
@@ -74,7 +75,7 @@ class IsogonalOctagon(CompositeSurface):
         of cm
     r2 : float
         Half-width of octagon across its basis axis intersecting sides in
-        units of cm. Must be less than :math:`\sqrt{2} r_1`.
+        units of cm. Assumed to be less than :math:`r_1\sqrt{2}`.
     axis : {'x', 'y', 'z'}
         Central axis of octagon. Defaults to 'z'
     **kwargs
@@ -87,7 +88,7 @@ class IsogonalOctagon(CompositeSurface):
     bottom : openmc.ZPlane or openmc.YPlane
         Bottom planar surface of octagon
     right: openmc.YPlane or openmc.XPlane
-        Right planaer surface of octagon
+        Right planar surface of octagon
     left: openmc.YPlane or openmc.XPlane
         Left planar surface of octagon
     upper_right : openmc.Plane
@@ -119,7 +120,8 @@ class IsogonalOctagon(CompositeSurface):
 
         # Side lengths
         if (r2 > r1 * sqrt(2)):
-            raise ValueError(f'r2 must be less than {sqrt(2) * r1}')
+            raise Warning(f'r2 is greater than {sqrt(2) * r1}. Octagon may'
+                          'be erroneous.')
 
         L_perp_ax1 = (r2 * sqrt(2) - r1) * 2
         L_perp_ax2 = (r1 * sqrt(2) - r2) * 2

From e10e2bbcf02165db2a5f324f6a41761f56633724 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Mon, 4 Apr 2022 16:47:06 -0500
Subject: [PATCH 0173/2654] streamline the remapping of coordinates

---
 openmc/model/surface_composite.py | 47 +++++++++++++++----------------
 1 file changed, 23 insertions(+), 24 deletions(-)

diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index 9b674b494..2b55615a1 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -1,8 +1,9 @@
 from abc import ABC, abstractmethod
 from copy import copy
+from math import sqrt, pi, sin, cos
+from numpy import array
 
 import openmc
-from math import sin, cos, sqrt
 from openmc.checkvalue import check_greater_than, check_value
 
 
@@ -209,41 +210,39 @@ class CylinderSector(CompositeSurface):
 
     def __init__(self, center, r1, r2, theta0, theta, axis='z', **kwargs):
 
-        theta0 = np.pi / 180 * theta0
-        theta = np.pi / 180 * theta
+        theta0 = pi / 180 * theta0
+        theta = pi / 180 * theta
         theta1 = theta0 + theta
 
         # Coords for axis-perpendicular planes
-        p1 = np.array([0,0])
+        p1 = array([0.,0.,1.])
 
-        p2_plane0 = np.array([r1 * cos(theta0), r1 * sin(theta0)])
-        p3_plane0 = np.array([r2 * cos(theta0), r2 * sin(theta0)])
+        p2_plane0 = array([r1 * cos(theta0), r1 * sin(theta0), 0.])
+        p3_plane0 = array([r2 * cos(theta0), r2 * sin(theta0), 0.])
 
-        p2_plane1 = np.array([r1 * cos(theta1), r1 * sin(theta1)])
-        p3_plane1 = np.array([r2 * cos(theta1), r2 * sin(theta1)])
+        p2_plane1 = array([r1 * cos(theta1), r1 * sin(theta1), 0.])
+        p3_plane1 = array([r2 * cos(theta1), r2 * sin(theta1), 0.])
 
-        points = [p2_plane0, p3_plane0, p2_plane1, p3_plane1]
-        if axis == 'x':
-            self.inner = openmc.XCylinder(*center, r=r1, **kwargs)
-            self.outer = openmc.XCylinder(*center, r=r2, **kwargs)
-            axis_idx = 0
-         elif axis == 'y':
-            self.inner = openmc.YCylinder(*center, r=r1, **kwargs)
-            self.outer = openmc.YCylinder(*center, r=r2, **kwargs)
-            axis_idx = 1
-         elif axis == 'z':
+        points = [p1, p2_plane0, p3_plane0, p2_plane1, p3_plane1]
+        if axis == 'z':
+            coord_map = [0,1,2]
             self.inner = openmc.ZCylinder(*center, r=r1, **kwargs)
             self.outer = openmc.ZCylinder(*center, r=r2, **kwargs)
-            axis_idx = 3
+
+        elif axis == 'y':
+             coord_map = [0,2,1]
+            self.inner = openmc.YCylinder(*center, r=r1, **kwargs)
+            self.outer = openmc.YCylinder(*center, r=r2, **kwargs)
+        elif axis == 'x':
+            coord_map = [2,0,1]
+            self.inner = openmc.XCylinder(*center, r=r1, **kwargs)
+            self.outer = openmc.XCylinder(*center, r=r2, **kwargs)
 
         calibrated_points = []
         for p in points:
-            p_temp = []
-            for i in coord_map:
-            calibrated_points += [np.insert(p, axis_idx, 0)]
+            calibrated_points += [p[coord_map]]
 
-        p2_plane0, p3_plane0, p2_plane1, p3_plane1 = calibrated_points
-        p1 = np.insert(p1, axis_idx, 1)
+        p1, p2_plane0, p3_plane0, p2_plane1, p3_plane1 = calibrated_points
 
         self.plane0 = openmc.Plane.from_points(p1, p2_plane0, p3_plane0, **kwargs)
         self.plane1 = openmc.Plane.from_points(p1, p2_plane1, p3_plane1, **kwargs)

From 24f4ceb132a44d3cf86adcf05543aeec6fb897ca Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Mon, 4 Apr 2022 17:10:11 -0500
Subject: [PATCH 0174/2654] fix warnings, syntax errors

---
 openmc/model/surface_composite.py | 51 +++++++++++++++++--------------
 1 file changed, 28 insertions(+), 23 deletions(-)

diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index ba26a2157..ac53a6e72 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -4,6 +4,7 @@ from math import sqrt
 from numpy import array
 
 import openmc
+import warnings
 from openmc.checkvalue import check_greater_than, check_value
 
 class CompositeSurface(ABC):
@@ -72,7 +73,7 @@ class IsogonalOctagon(CompositeSurface):
         (y, z), (x, z), or (x, y) basis.
     r1 : float
         Half-width of octagon across its basis axis-parallel sides in units
-        of cm
+        of cm. Assumed to be less than :math:`r_2\sqrt{2}`.
     r2 : float
         Half-width of octagon across its basis axis intersecting sides in
         units of cm. Assumed to be less than :math:`r_1\sqrt{2}`.
@@ -109,31 +110,34 @@ class IsogonalOctagon(CompositeSurface):
 
     def __init__(self, center, r1, r2, axis='z', **kwargs):
         self._axis = axis
-        q1c, q2c = center
+        c1, c2 = center
 
         # Coords for axis-perpendicular planes
-        ctop = q1c+r1
-        cbottom = q1c-r1
+        ctop = c1 + r1
+        cbottom = c1 - r1
 
-        cright= q2c+r1
-        cleft = q2c-r1
+        cright = c2 + r1
+        cleft = c2 - r1
 
         # Side lengths
-        if (r2 > r1 * sqrt(2)):
-            raise Warning(f'r2 is greater than {sqrt(2) * r1}. Octagon may'
-                          'be erroneous.')
+        if r2 > r1 * sqrt(2):
+            warnings.warn(f'r2 is greater than sqrt(2) * r1. Octagon may' + \
+                          ' be erroneous.')
+        if r1 > r2 * sqrt(2):
+            warnings.warn(f'r1 is greater than sqrt(2) * r2. Octagon may' + \
+                          ' be erroneous.')
 
         L_perp_ax1 = (r2 * sqrt(2) - r1) * 2
         L_perp_ax2 = (r1 * sqrt(2) - r2) * 2
 
         # Coords for quadrant planes
-        p1_ur = [L_perp_ax1/2, r1, 0]
-        p2_ur = [r1, L_perp_ax1/2, 0]
-        p3_ur = [r1, L_perp_ax1/2, 1]
+        p1_ur = array([L_perp_ax1/2, r1, 0.])
+        p2_ur = array([r1, L_perp_ax1/2, 0.])
+        p3_ur = array([r1, L_perp_ax1/2, 1.])
 
-        p1_lr = [r1, -L_perp_ax1/2, 0]
-        p2_lr = [L_perp_ax1/2, -r1, 0]
-        p3_lr = [L_perp_ax1/2, -r1, 1]
+        p1_lr = array([r1, -L_perp_ax1/2, 0.])
+        p2_lr = array([L_perp_ax1/2, -r1, 0.])
+        p3_lr = array([L_perp_ax1/2, -r1, 1.])
 
         points = [p1_ur, p2_ur, p3_ur, p1_lr, p2_lr, p3_lr]
 
@@ -160,17 +164,18 @@ class IsogonalOctagon(CompositeSurface):
         # Put our coordinates in (x,y,z) order
         calibrated_points = []
         for p in points:
-            p_temp = []
-            for i in coord_map:
-                p_temp += [p[i]]
-            calibrated_points += [array(p_temp)]
+            calibrated_points += [p[coord_map]]
 
         p1_ur, p2_ur, p3_ur, p1_lr, p2_lr, p3_lr = calibrated_points
 
-        self.upper_right = openmc.Plane.from_points(p1_ur, p2_ur, p3_ur, **kwargs)
-        self.lower_right = openmc.Plane.from_points(p1_lr, p2_lr, p3_lr, **kwargs)
-        self.lower_left = openmc.Plane.from_points(-p1_ur, -p2_ur, -p3_ur,  **kwargs)
-        self.upper_left = openmc.Plane.from_points(-p1_lr, -p2_lr, -p3_lr, **kwargs)
+        self.upper_right = openmc.Plane.from_points(p1_ur, p2_ur, p3_ur,
+                                                    **kwargs)
+        self.lower_right = openmc.Plane.from_points(p1_lr, p2_lr, p3_lr,
+                                                    **kwargs)
+        self.lower_left = openmc.Plane.from_points(-p1_ur, -p2_ur, -p3_ur,
+                                                   **kwargs)
+        self.upper_left = openmc.Plane.from_points(-p1_lr, -p2_lr, -p3_lr,
+                                                   **kwargs)
 
 
     def __neg__(self):

From 41460568a6a743051f90b8fc7b907e74303ca1e0 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Mon, 4 Apr 2022 17:13:39 -0500
Subject: [PATCH 0175/2654] minor syntax fix

---
 openmc/model/surface_composite.py | 1 +
 1 file changed, 1 insertion(+)

diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index 2b55615a1..1635e21b6 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -257,6 +257,7 @@ class CylinderSector(CompositeSurface):
     def __pos__(self):
         return +self.outer | -self.inner | +self.plane0 | -self.plane1
 
+
 class XConeOneSided(CompositeSurface):
     """One-sided cone parallel the x-axis
 

From ae881a126d8239d64ff8b31a67342e121005dafa Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Mon, 4 Apr 2022 18:05:40 -0500
Subject: [PATCH 0176/2654] Added unit test

---
 tests/unit_tests/test_surface_composite.py | 56 ++++++++++++++++++++++
 1 file changed, 56 insertions(+)

diff --git a/tests/unit_tests/test_surface_composite.py b/tests/unit_tests/test_surface_composite.py
index a1a218311..bafff706e 100644
--- a/tests/unit_tests/test_surface_composite.py
+++ b/tests/unit_tests/test_surface_composite.py
@@ -150,3 +150,59 @@ def test_cone_one_sided(axis, point_pos, point_neg, ll_true):
 
     # Make sure repr works
     repr(s)
+
+@pytest.mark.parametrize(
+    "axis, indices", [
+        ("X", [0, 1, 2]),
+        ("Y", [1, 2, 0]),
+        ("Z", [2, 0, 1]),
+    ]
+)
+def test_cylinder_sector(axis, indices):
+    center = [0., 0.]
+    r1, r2 = 0.5, 1.5
+    d = (r2 - r1) / 2
+    theta0 = -60.
+    theta = 120.
+    s = openmc.model.CylinderSector(center, r1, r2, theta0, theta,
+                                    axis=axis.lower())
+    assert isinstance(s.outer_cyl, getattr(openmc, axis + "Cylinder"))
+    assert isinstance(s.inner_cyl, getattr(openmc, axis + "Cylinder"))
+    assert isinstance(s.plane0, openmc.Plane)
+    assert isinstance(s.plane1, openmc.Plane)
+
+    # Make sure boundary condition propagates
+    s.boundary_type = 'reflective'
+    assert s.boundary_type == 'reflective'
+    assert s.outer_cyl.boundary_type == 'reflective'
+    assert s.inner_cyl.boundary_type == 'reflective'
+    assert s.plane0.boundary_type == 'reflective'
+    assert s.plane1.boundary_type == 'reflective'
+
+    # Check bounding box
+    ll, ur = (+s).bounding_box
+    assert np.all(np.isinf(ll))
+    assert np.all(np.isinf(ur))
+    ll, ur = (-s).bounding_box
+    assert ll == pytest.approx(np.roll([-np.inf, -r2, -r2], indices[0]))
+    assert ur == pytest.approx(np.roll([np.inf, r2, r2], indices[0]))
+
+    # __contains__ on associated half-spaces
+    point_pos = np.roll([0, r2 + 1, 0], indices[0])
+    assert point_pos in +s
+    assert point_pos not in -s
+    point_neg = np.roll([0, r1 + d/2, r1 + d/2], indices[0])
+    assert point_neg in -s
+    assert point_neg not in +s
+
+    # translate method
+    t = uniform(-5.0, 5.0)
+    s_t = s.translate((t, t, t))
+    ll_t, ur_t = (-s_t).bounding_box
+    assert ur_t == pytest.approx(ur + t)
+    assert ll_t == pytest.approx(ll + t)
+
+    # Make sure repr works
+    repr(s)
+
+

From 10123bf55a9c74df880f261460381af4092f975c Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Mon, 4 Apr 2022 18:05:54 -0500
Subject: [PATCH 0177/2654] consistency changes

---
 openmc/model/surface_composite.py | 30 +++++++++++++++++-------------
 1 file changed, 17 insertions(+), 13 deletions(-)

diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index 1635e21b6..a7c8d173e 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -205,11 +205,12 @@ class CylinderSector(CompositeSurface):
 
     """
 
-    _surface_names = ('outer','inner',
+    _surface_names = ('outer_cyl','inner_cyl',
                       'plane0', 'plane1')
 
     def __init__(self, center, r1, r2, theta0, theta, axis='z', **kwargs):
 
+        self._axis = axis
         theta0 = pi / 180 * theta0
         theta = pi / 180 * theta
         theta1 = theta0 + theta
@@ -226,17 +227,16 @@ class CylinderSector(CompositeSurface):
         points = [p1, p2_plane0, p3_plane0, p2_plane1, p3_plane1]
         if axis == 'z':
             coord_map = [0,1,2]
-            self.inner = openmc.ZCylinder(*center, r=r1, **kwargs)
-            self.outer = openmc.ZCylinder(*center, r=r2, **kwargs)
-
+            self.inner_cyl = openmc.ZCylinder(*center, r=r1, **kwargs)
+            self.outer_cyl = openmc.ZCylinder(*center, r=r2, **kwargs)
         elif axis == 'y':
-             coord_map = [0,2,1]
-            self.inner = openmc.YCylinder(*center, r=r1, **kwargs)
-            self.outer = openmc.YCylinder(*center, r=r2, **kwargs)
+            coord_map = [0,2,1]
+            self.inner_cyl = openmc.YCylinder(*center, r=r1, **kwargs)
+            self.outer_cyl = openmc.YCylinder(*center, r=r2, **kwargs)
         elif axis == 'x':
             coord_map = [2,0,1]
-            self.inner = openmc.XCylinder(*center, r=r1, **kwargs)
-            self.outer = openmc.XCylinder(*center, r=r2, **kwargs)
+            self.inner_cyl = openmc.XCylinder(*center, r=r1, **kwargs)
+            self.outer_cyl = openmc.XCylinder(*center, r=r2, **kwargs)
 
         calibrated_points = []
         for p in points:
@@ -246,16 +246,20 @@ class CylinderSector(CompositeSurface):
 
         self.plane0 = openmc.Plane.from_points(p1, p2_plane0, p3_plane0, **kwargs)
         self.plane1 = openmc.Plane.from_points(p1, p2_plane1, p3_plane1, **kwargs)
-        self.inner = openmc.ZCylinder(x0=x0, y0=y0, r=r1, **kwargs)
-        self.outer = openmc.ZCylinder(x0=x0, y0=y0, r=r2, **kwargs)
 
 
     def __neg__(self):
-        return -self.outer & +self.inner & -self.plane0 &  +self.plane1
+        if self._axis == 'y':
+            return -self.outer_cyl & +self.inner_cyl & +self.plane0 &  -self.plane1
+        else:
+            return -self.outer_cyl & +self.inner_cyl & -self.plane0 &  +self.plane1
 
 
     def __pos__(self):
-        return +self.outer | -self.inner | +self.plane0 | -self.plane1
+        if self._axis == 'y':
+            return +self.outer_cyl | -self.inner_cyl | -self.plane0 | +self.plane1
+        else:
+            return +self.outer_cyl | -self.inner_cyl | +self.plane0 | -self.plane1
 
 
 class XConeOneSided(CompositeSurface):

From 370625be5532050f8c8ac0f581b9e35f0575ab03 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Mon, 4 Apr 2022 18:06:48 -0500
Subject: [PATCH 0178/2654] Added reference to CylinderSector in the sphinx
 documentation

---
 docs/source/pythonapi/model.rst | 1 +
 1 file changed, 1 insertion(+)

diff --git a/docs/source/pythonapi/model.rst b/docs/source/pythonapi/model.rst
index a6c89be7c..686bc8d1c 100644
--- a/docs/source/pythonapi/model.rst
+++ b/docs/source/pythonapi/model.rst
@@ -25,6 +25,7 @@ Composite Surfaces
    :nosignatures:
    :template: myclass.rst
 
+   openmc.model.CylinderSector
    openmc.model.RectangularParallelepiped
    openmc.model.RightCircularCylinder
    openmc.model.XConeOneSided

From 04d040b4a9df8363660f1f78a4a5012df2ac3383 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Mon, 4 Apr 2022 22:11:51 -0500
Subject: [PATCH 0179/2654] use lat instead of rlat

---
 tests/unit_tests/test_lattice.py | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/tests/unit_tests/test_lattice.py b/tests/unit_tests/test_lattice.py
index 28da217b7..b82c2399d 100644
--- a/tests/unit_tests/test_lattice.py
+++ b/tests/unit_tests/test_lattice.py
@@ -157,11 +157,11 @@ def hlat3(pincell1, pincell2, uo2, water, zr):
 
 def test_get_nuclides(rlat2, rlat3, hlat2, hlat3):
     for lat in (rlat2, hlat2):
-        nucs = rlat2.get_nuclides()
+        nucs = lat.get_nuclides()
         assert sorted(nucs) == ['H1', 'O16', 'U235',
                                 'Zr90', 'Zr91', 'Zr92', 'Zr94', 'Zr96']
     for lat in (rlat3, hlat3):
-        nucs = rlat3.get_nuclides()
+        nucs = lat.get_nuclides()
         assert sorted(nucs) == ['H1', 'H2', 'O16', 'U235',
                                 'Zr90', 'Zr91', 'Zr92', 'Zr94', 'Zr96']
 

From ff67c85587689f15f4685307a2b7aa6f8ddd7ea3 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Mon, 4 Apr 2022 22:13:10 -0500
Subject: [PATCH 0180/2654] use the correct lines variables

---
 tests/unit_tests/test_lattice.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/tests/unit_tests/test_lattice.py b/tests/unit_tests/test_lattice.py
index b82c2399d..99bc284b0 100644
--- a/tests/unit_tests/test_lattice.py
+++ b/tests/unit_tests/test_lattice.py
@@ -360,7 +360,7 @@ def test_show_indices():
         lines = openmc.HexLattice.show_indices(i).split('\n')
         assert len(lines) == 4*i - 3
         lines_x = openmc.HexLattice.show_indices(i, 'x').split('\n')
-        assert len(lines) == 4*i - 3
+        assert len(lines_x) == 4*i - 3
 
 
 def test_unset_universes():

From 4699732faa450c134ff0a960f8995675d531674c Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Tue, 15 Feb 2022 15:36:55 -0600
Subject: [PATCH 0181/2654] Separating the universe classes into their own
 source and header file

---
 CMakeLists.txt            |   1 +
 include/openmc/cell.h     |  62 +----------
 include/openmc/universe.h |  79 ++++++++++++++
 src/cell.cpp              | 207 -----------------------------------
 src/universe.cpp          | 221 ++++++++++++++++++++++++++++++++++++++
 5 files changed, 302 insertions(+), 268 deletions(-)
 create mode 100644 include/openmc/universe.h
 create mode 100644 src/universe.cpp

diff --git a/CMakeLists.txt b/CMakeLists.txt
index e972c4937..788e8c681 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -351,6 +351,7 @@ list(APPEND libopenmc_SOURCES
   src/timer.cpp
   src/thermal.cpp
   src/track_output.cpp
+  src/universe.cpp
   src/urr.cpp
   src/volume_calc.cpp
   src/weight_windows.cpp
diff --git a/include/openmc/cell.h b/include/openmc/cell.h
index afc9a33c5..d975750a1 100644
--- a/include/openmc/cell.h
+++ b/include/openmc/cell.h
@@ -17,6 +17,7 @@
 #include "openmc/neighbor_list.h"
 #include "openmc/position.h"
 #include "openmc/surface.h"
+#include "openmc/universe.h"
 #include "openmc/vector.h"
 
 namespace openmc {
@@ -48,36 +49,8 @@ namespace model {
 extern std::unordered_map<int32_t, int32_t> cell_map;
 extern vector<unique_ptr<Cell>> cells;
 
-extern std::unordered_map<int32_t, int32_t> universe_map;
-extern vector<unique_ptr<Universe>> universes;
 } // namespace model
 
-//==============================================================================
-//! A geometry primitive that fills all space and contains cells.
-//==============================================================================
-
-class Universe {
-public:
-  int32_t id_;            //!< Unique ID
-  vector<int32_t> cells_; //!< Cells within this universe
-
-  //! \brief Write universe information to an HDF5 group.
-  //! \param group_id An HDF5 group id.
-  virtual void to_hdf5(hid_t group_id) const;
-
-  virtual bool find_cell(Particle& p) const;
-
-  BoundingBox bounding_box() const;
-
-  const GeometryType& geom_type() const { return geom_type_; }
-  GeometryType& geom_type() { return geom_type_; }
-
-  unique_ptr<UniversePartitioner> partitioner_;
-
-private:
-  GeometryType geom_type_ = GeometryType::CSG;
-};
-
 //==============================================================================
 //==============================================================================
 
@@ -296,35 +269,6 @@ protected:
     vector<int32_t>::iterator start, const vector<int32_t>& rpn);
 };
 
-//==============================================================================
-//! Speeds up geometry searches by grouping cells in a search tree.
-//
-//! Currently this object only works with universes that are divided up by a
-//! bunch of z-planes.  It could be generalized to other planes, cylinders,
-//! and spheres.
-//==============================================================================
-
-class UniversePartitioner {
-public:
-  explicit UniversePartitioner(const Universe& univ);
-
-  //! Return the list of cells that could contain the given coordinates.
-  const vector<int32_t>& get_cells(Position r, Direction u) const;
-
-private:
-  //! A sorted vector of indices to surfaces that partition the universe
-  vector<int32_t> surfs_;
-
-  //! Vectors listing the indices of the cells that lie within each partition
-  //
-  //! There are n+1 partitions with n surfaces.  `partitions_.front()` gives the
-  //! cells that lie on the negative side of `surfs_.front()`.
-  //! `partitions_.back()` gives the cells that lie on the positive side of
-  //! `surfs_.back()`.  Otherwise, `partitions_[i]` gives cells sandwiched
-  //! between `surfs_[i-1]` and `surfs_[i]`.
-  vector<vector<int32_t>> partitions_;
-};
-
 //==============================================================================
 //! Define an instance of a particular cell
 //==============================================================================
@@ -356,9 +300,5 @@ struct CellInstanceHash {
 
 void read_cells(pugi::xml_node node);
 
-#ifdef DAGMC
-class DAGUniverse;
-#endif
-
 } // namespace openmc
 #endif // OPENMC_CELL_H
diff --git a/include/openmc/universe.h b/include/openmc/universe.h
new file mode 100644
index 000000000..b6ed3e724
--- /dev/null
+++ b/include/openmc/universe.h
@@ -0,0 +1,79 @@
+#ifndef OPENMC_UNIVERSE_H
+#define OPENMC_UNIVERSE_H
+
+#include "openmc/cell.h"
+
+namespace openmc {
+
+#ifdef DAGMC
+class DAGUniverse;
+#endif
+
+class Universe;
+class UniversePartitioner;
+
+namespace model {
+
+extern std::unordered_map<int32_t, int32_t> universe_map;
+extern vector<unique_ptr<Universe>> universes;
+
+} // namespace model
+
+
+//==============================================================================
+//! A geometry primitive that fills all space and contains cells.
+//==============================================================================
+
+class Universe {
+public:
+  int32_t id_;            //!< Unique ID
+  vector<int32_t> cells_; //!< Cells within this universe
+
+  //! \brief Write universe information to an HDF5 group.
+  //! \param group_id An HDF5 group id.
+  virtual void to_hdf5(hid_t group_id) const;
+
+  virtual bool find_cell(Particle& p) const;
+
+  BoundingBox bounding_box() const;
+
+  const GeometryType& geom_type() const { return geom_type_; }
+  GeometryType& geom_type() { return geom_type_; }
+
+  unique_ptr<UniversePartitioner> partitioner_;
+
+private:
+  GeometryType geom_type_ = GeometryType::CSG;
+};
+
+//==============================================================================
+//! Speeds up geometry searches by grouping cells in a search tree.
+//
+//! Currently this object only works with universes that are divided up by a
+//! bunch of z-planes.  It could be generalized to other planes, cylinders,
+//! and spheres.
+//==============================================================================
+
+class UniversePartitioner {
+public:
+  explicit UniversePartitioner(const Universe& univ);
+
+  //! Return the list of cells that could contain the given coordinates.
+  const vector<int32_t>& get_cells(Position r, Direction u) const;
+
+private:
+  //! A sorted vector of indices to surfaces that partition the universe
+  vector<int32_t> surfs_;
+
+  //! Vectors listing the indices of the cells that lie within each partition
+  //
+  //! There are n+1 partitions with n surfaces.  `partitions_.front()` gives the
+  //! cells that lie on the negative side of `surfs_.front()`.
+  //! `partitions_.back()` gives the cells that lie on the positive side of
+  //! `surfs_.back()`.  Otherwise, `partitions_[i]` gives cells sandwiched
+  //! between `surfs_[i-1]` and `surfs_[i]`.
+  vector<vector<int32_t>> partitions_;
+};
+
+} // namespace openmc
+#endif // OPENMC_UNIVERSE_H
\ No newline at end of file
diff --git a/src/cell.cpp b/src/cell.cpp
index 2b6555d12..28be2c2cf 100644
--- a/src/cell.cpp
+++ b/src/cell.cpp
@@ -34,8 +34,6 @@ namespace model {
 std::unordered_map<int32_t, int32_t> cell_map;
 vector<unique_ptr<Cell>> cells;
 
-std::unordered_map<int32_t, int32_t> universe_map;
-vector<unique_ptr<Universe>> universes;
 } // namespace model
 
 //==============================================================================
@@ -186,66 +184,6 @@ vector<int32_t> generate_rpn(int32_t cell_id, vector<int32_t> infix)
   return rpn;
 }
 
-//==============================================================================
-// Universe implementation
-//==============================================================================
-
-void Universe::to_hdf5(hid_t universes_group) const
-{
-  // Create a group for this universe.
-  auto group = create_group(universes_group, fmt::format("universe {}", id_));
-
-  // Write the geometry representation type.
-  write_string(group, "geom_type", "csg", false);
-
-  // Write the contained cells.
-  if (cells_.size() > 0) {
-    vector<int32_t> cell_ids;
-    for (auto i_cell : cells_)
-      cell_ids.push_back(model::cells[i_cell]->id_);
-    write_dataset(group, "cells", cell_ids);
-  }
-
-  close_group(group);
-}
-
-bool Universe::find_cell(Particle& p) const
-{
-  const auto& cells {
-    !partitioner_ ? cells_ : partitioner_->get_cells(p.r_local(), p.u_local())};
-
-  for (auto it = cells.begin(); it != cells.end(); it++) {
-    int32_t i_cell = *it;
-    int32_t i_univ = p.coord(p.n_coord() - 1).universe;
-    if (model::cells[i_cell]->universe_ != i_univ)
-      continue;
-
-    // Check if this cell contains the particle;
-    Position r {p.r_local()};
-    Direction u {p.u_local()};
-    auto surf = p.surface();
-    if (model::cells[i_cell]->contains(r, u, surf)) {
-      p.coord(p.n_coord() - 1).cell = i_cell;
-      return true;
-    }
-  }
-  return false;
-}
-
-BoundingBox Universe::bounding_box() const
-{
-  BoundingBox bbox = {INFTY, -INFTY, INFTY, -INFTY, INFTY, -INFTY};
-  if (cells_.size() == 0) {
-    return {};
-  } else {
-    for (const auto& cell : cells_) {
-      auto& c = model::cells[cell];
-      bbox |= c->bounding_box();
-    }
-  }
-  return bbox;
-}
-
 //==============================================================================
 // Cell implementation
 //==============================================================================
@@ -876,151 +814,6 @@ bool CSGCell::contains_complex(
   }
 }
 
-//==============================================================================
-// UniversePartitioner implementation
-//==============================================================================
-
-UniversePartitioner::UniversePartitioner(const Universe& univ)
-{
-  // Define an ordered set of surface indices that point to z-planes.  Use a
-  // functor to to order the set by the z0_ values of the corresponding planes.
-  struct compare_surfs {
-    bool operator()(const int32_t& i_surf, const int32_t& j_surf) const
-    {
-      const auto* surf = model::surfaces[i_surf].get();
-      const auto* zplane = dynamic_cast<const SurfaceZPlane*>(surf);
-      double zi = zplane->z0_;
-      surf = model::surfaces[j_surf].get();
-      zplane = dynamic_cast<const SurfaceZPlane*>(surf);
-      double zj = zplane->z0_;
-      return zi < zj;
-    }
-  };
-  std::set<int32_t, compare_surfs> surf_set;
-
-  // Find all of the z-planes in this universe.  A set is used here for the
-  // O(log(n)) insertions that will ensure entries are not repeated.
-  for (auto i_cell : univ.cells_) {
-    for (auto token : model::cells[i_cell]->rpn_) {
-      if (token < OP_UNION) {
-        auto i_surf = std::abs(token) - 1;
-        const auto* surf = model::surfaces[i_surf].get();
-        if (const auto* zplane = dynamic_cast<const SurfaceZPlane*>(surf))
-          surf_set.insert(i_surf);
-      }
-    }
-  }
-
-  // Populate the surfs_ vector from the ordered set.
-  surfs_.insert(surfs_.begin(), surf_set.begin(), surf_set.end());
-
-  // Populate the partition lists.
-  partitions_.resize(surfs_.size() + 1);
-  for (auto i_cell : univ.cells_) {
-    // It is difficult to determine the bounds of a complex cell, so add complex
-    // cells to all partitions.
-    if (!model::cells[i_cell]->simple_) {
-      for (auto& p : partitions_)
-        p.push_back(i_cell);
-      continue;
-    }
-
-    // Find the tokens for bounding z-planes.
-    int32_t lower_token = 0, upper_token = 0;
-    double min_z, max_z;
-    for (auto token : model::cells[i_cell]->rpn_) {
-      if (token < OP_UNION) {
-        const auto* surf = model::surfaces[std::abs(token) - 1].get();
-        if (const auto* zplane = dynamic_cast<const SurfaceZPlane*>(surf)) {
-          if (lower_token == 0 || zplane->z0_ < min_z) {
-            lower_token = token;
-            min_z = zplane->z0_;
-          }
-          if (upper_token == 0 || zplane->z0_ > max_z) {
-            upper_token = token;
-            max_z = zplane->z0_;
-          }
-        }
-      }
-    }
-
-    // If there are no bounding z-planes, add this cell to all partitions.
-    if (lower_token == 0) {
-      for (auto& p : partitions_)
-        p.push_back(i_cell);
-      continue;
-    }
-
-    // Find the first partition this cell lies in.  If the lower_token indicates
-    // a negative halfspace, then the cell is unbounded in the lower direction
-    // and it lies in the first partition onward.  Otherwise, it is bounded by
-    // the positive halfspace given by the lower_token.
-    int first_partition = 0;
-    if (lower_token > 0) {
-      for (int i = 0; i < surfs_.size(); ++i) {
-        if (lower_token == surfs_[i] + 1) {
-          first_partition = i + 1;
-          break;
-        }
-      }
-    }
-
-    // Find the last partition this cell lies in.  The logic is analogous to the
-    // logic for first_partition.
-    int last_partition = surfs_.size();
-    if (upper_token < 0) {
-      for (int i = first_partition; i < surfs_.size(); ++i) {
-        if (upper_token == -(surfs_[i] + 1)) {
-          last_partition = i;
-          break;
-        }
-      }
-    }
-
-    // Add the cell to all relevant partitions.
-    for (int i = first_partition; i <= last_partition; ++i) {
-      partitions_[i].push_back(i_cell);
-    }
-  }
-}
-
-const vector<int32_t>& UniversePartitioner::get_cells(
-  Position r, Direction u) const
-{
-  // Perform a binary search for the partition containing the given coordinates.
-  int left = 0;
-  int middle = (surfs_.size() - 1) / 2;
-  int right = surfs_.size() - 1;
-  while (true) {
-    // Check the sense of the coordinates for the current surface.
-    const auto& surf = *model::surfaces[surfs_[middle]];
-    if (surf.sense(r, u)) {
-      // The coordinates lie in the positive halfspace.  Recurse if there are
-      // more surfaces to check.  Otherwise, return the cells on the positive
-      // side of this surface.
-      int right_leaf = right - (right - middle) / 2;
-      if (right_leaf != middle) {
-        left = middle + 1;
-        middle = right_leaf;
-      } else {
-        return partitions_[middle + 1];
-      }
-
-    } else {
-      // The coordinates lie in the negative halfspace.  Recurse if there are
-      // more surfaces to check.  Otherwise, return the cells on the negative
-      // side of this surface.
-      int left_leaf = left + (middle - left) / 2;
-      if (left_leaf != middle) {
-        right = middle - 1;
-        middle = left_leaf;
-      } else {
-        return partitions_[middle];
-      }
-    }
-  }
-}
-
 //==============================================================================
 // Non-method functions
 //==============================================================================
diff --git a/src/universe.cpp b/src/universe.cpp
new file mode 100644
index 000000000..f4b5e7d29
--- /dev/null
+++ b/src/universe.cpp
@@ -0,0 +1,221 @@
+#include "openmc/universe.h"
+
+#include <set>
+
+#include "openmc/hdf5_interface.h"
+
+namespace openmc {
+
+namespace model {
+
+std::unordered_map<int32_t, int32_t> universe_map;
+vector<unique_ptr<Universe>> universes;
+
+} // namespace model
+
+//==============================================================================
+// Universe implementation
+//==============================================================================
+
+void Universe::to_hdf5(hid_t universes_group) const
+{
+  // Create a group for this universe.
+  auto group = create_group(universes_group, fmt::format("universe {}", id_));
+
+  // Write the geometry representation type.
+  write_string(group, "geom_type", "csg", false);
+
+  // Write the contained cells.
+  if (cells_.size() > 0) {
+    vector<int32_t> cell_ids;
+    for (auto i_cell : cells_)
+      cell_ids.push_back(model::cells[i_cell]->id_);
+    write_dataset(group, "cells", cell_ids);
+  }
+
+  close_group(group);
+}
+
+bool Universe::find_cell(Particle& p) const
+{
+  const auto& cells {
+    !partitioner_ ? cells_ : partitioner_->get_cells(p.r_local(), p.u_local())};
+
+  for (auto it = cells.begin(); it != cells.end(); it++) {
+    int32_t i_cell = *it;
+    int32_t i_univ = p.coord(p.n_coord() - 1).universe;
+    if (model::cells[i_cell]->universe_ != i_univ)
+      continue;
+
+    // Check if this cell contains the particle;
+    Position r {p.r_local()};
+    Direction u {p.u_local()};
+    auto surf = p.surface();
+    if (model::cells[i_cell]->contains(r, u, surf)) {
+      p.coord(p.n_coord() - 1).cell = i_cell;
+      return true;
+    }
+  }
+  return false;
+}
+
+BoundingBox Universe::bounding_box() const
+{
+  BoundingBox bbox = {INFTY, -INFTY, INFTY, -INFTY, INFTY, -INFTY};
+  if (cells_.size() == 0) {
+    return {};
+  } else {
+    for (const auto& cell : cells_) {
+      auto& c = model::cells[cell];
+      bbox |= c->bounding_box();
+    }
+  }
+  return bbox;
+}
+
+//==============================================================================
+// UniversePartitioner implementation
+//==============================================================================
+
+UniversePartitioner::UniversePartitioner(const Universe& univ)
+{
+  // Define an ordered set of surface indices that point to z-planes.  Use a
+  // functor to to order the set by the z0_ values of the corresponding planes.
+  struct compare_surfs {
+    bool operator()(const int32_t& i_surf, const int32_t& j_surf) const
+    {
+      const auto* surf = model::surfaces[i_surf].get();
+      const auto* zplane = dynamic_cast<const SurfaceZPlane*>(surf);
+      double zi = zplane->z0_;
+      surf = model::surfaces[j_surf].get();
+      zplane = dynamic_cast<const SurfaceZPlane*>(surf);
+      double zj = zplane->z0_;
+      return zi < zj;
+    }
+  };
+  std::set<int32_t, compare_surfs> surf_set;
+
+  // Find all of the z-planes in this universe.  A set is used here for the
+  // O(log(n)) insertions that will ensure entries are not repeated.
+  for (auto i_cell : univ.cells_) {
+    for (auto token : model::cells[i_cell]->rpn_) {
+      if (token < OP_UNION) {
+        auto i_surf = std::abs(token) - 1;
+        const auto* surf = model::surfaces[i_surf].get();
+        if (const auto* zplane = dynamic_cast<const SurfaceZPlane*>(surf))
+          surf_set.insert(i_surf);
+      }
+    }
+  }
+
+  // Populate the surfs_ vector from the ordered set.
+  surfs_.insert(surfs_.begin(), surf_set.begin(), surf_set.end());
+
+  // Populate the partition lists.
+  partitions_.resize(surfs_.size() + 1);
+  for (auto i_cell : univ.cells_) {
+    // It is difficult to determine the bounds of a complex cell, so add complex
+    // cells to all partitions.
+    if (!model::cells[i_cell]->simple_) {
+      for (auto& p : partitions_)
+        p.push_back(i_cell);
+      continue;
+    }
+
+    // Find the tokens for bounding z-planes.
+    int32_t lower_token = 0, upper_token = 0;
+    double min_z, max_z;
+    for (auto token : model::cells[i_cell]->rpn_) {
+      if (token < OP_UNION) {
+        const auto* surf = model::surfaces[std::abs(token) - 1].get();
+        if (const auto* zplane = dynamic_cast<const SurfaceZPlane*>(surf)) {
+          if (lower_token == 0 || zplane->z0_ < min_z) {
+            lower_token = token;
+            min_z = zplane->z0_;
+          }
+          if (upper_token == 0 || zplane->z0_ > max_z) {
+            upper_token = token;
+            max_z = zplane->z0_;
+          }
+        }
+      }
+    }
+
+    // If there are no bounding z-planes, add this cell to all partitions.
+    if (lower_token == 0) {
+      for (auto& p : partitions_)
+        p.push_back(i_cell);
+      continue;
+    }
+
+    // Find the first partition this cell lies in.  If the lower_token indicates
+    // a negative halfspace, then the cell is unbounded in the lower direction
+    // and it lies in the first partition onward.  Otherwise, it is bounded by
+    // the positive halfspace given by the lower_token.
+    int first_partition = 0;
+    if (lower_token > 0) {
+      for (int i = 0; i < surfs_.size(); ++i) {
+        if (lower_token == surfs_[i] + 1) {
+          first_partition = i + 1;
+          break;
+        }
+      }
+    }
+
+    // Find the last partition this cell lies in.  The logic is analogous to the
+    // logic for first_partition.
+    int last_partition = surfs_.size();
+    if (upper_token < 0) {
+      for (int i = first_partition; i < surfs_.size(); ++i) {
+        if (upper_token == -(surfs_[i] + 1)) {
+          last_partition = i;
+          break;
+        }
+      }
+    }
+
+    // Add the cell to all relevant partitions.
+    for (int i = first_partition; i <= last_partition; ++i) {
+      partitions_[i].push_back(i_cell);
+    }
+  }
+}
+
+const vector<int32_t>& UniversePartitioner::get_cells(
+  Position r, Direction u) const
+{
+  // Perform a binary search for the partition containing the given coordinates.
+  int left = 0;
+  int middle = (surfs_.size() - 1) / 2;
+  int right = surfs_.size() - 1;
+  while (true) {
+    // Check the sense of the coordinates for the current surface.
+    const auto& surf = *model::surfaces[surfs_[middle]];
+    if (surf.sense(r, u)) {
+      // The coordinates lie in the positive halfspace.  Recurse if there are
+      // more surfaces to check.  Otherwise, return the cells on the positive
+      // side of this surface.
+      int right_leaf = right - (right - middle) / 2;
+      if (right_leaf != middle) {
+        left = middle + 1;
+        middle = right_leaf;
+      } else {
+        return partitions_[middle + 1];
+      }
+
+    } else {
+      // The coordinates lie in the negative halfspace.  Recurse if there are
+      // more surfaces to check.  Otherwise, return the cells on the negative
+      // side of this surface.
+      int left_leaf = left + (middle - left) / 2;
+      if (left_leaf != middle) {
+        right = middle - 1;
+        middle = left_leaf;
+      } else {
+        return partitions_[middle];
+      }
+    }
+  }
+}
+
+}
\ No newline at end of file

From b9520580de58cce3d66c925fe741c5479d737aa1 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Tue, 5 Apr 2022 08:55:41 -0500
Subject: [PATCH 0182/2654] Formatting updates

---
 include/openmc/universe.h | 3 +--
 src/universe.cpp          | 2 +-
 2 files changed, 2 insertions(+), 3 deletions(-)

diff --git a/include/openmc/universe.h b/include/openmc/universe.h
index b6ed3e724..b98d2d57f 100644
--- a/include/openmc/universe.h
+++ b/include/openmc/universe.h
@@ -19,7 +19,6 @@ extern vector<unique_ptr<Universe>> universes;
 
 } // namespace model
 
-
 //==============================================================================
 //! A geometry primitive that fills all space and contains cells.
 //==============================================================================
@@ -76,4 +75,4 @@ private:
 };
 
 } // namespace openmc
-#endif // OPENMC_UNIVERSE_H
\ No newline at end of file
+#endif // OPENMC_UNIVERSE_H
diff --git a/src/universe.cpp b/src/universe.cpp
index f4b5e7d29..f3f9cf8e8 100644
--- a/src/universe.cpp
+++ b/src/universe.cpp
@@ -218,4 +218,4 @@ const vector<int32_t>& UniversePartitioner::get_cells(
   }
 }
 
-}
\ No newline at end of file
+} // namespace openmc

From a3ae1c254abcc1e798fcd17072ea2361fb1bdbca Mon Sep 17 00:00:00 2001
From: yardasol <oyardas2@illinois.edu>
Date: Tue, 5 Apr 2022 09:50:41 -0500
Subject: [PATCH 0183/2654] apply @paulromano's suggestions

---
 openmc/model/surface_composite.py          | 38 ++++++++++------------
 tests/unit_tests/test_surface_composite.py |  7 ++--
 2 files changed, 21 insertions(+), 24 deletions(-)

diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index ac53a6e72..7a92a69ef 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -52,6 +52,7 @@ class CompositeSurface(ABC):
     def __neg__(self):
         """Return the negative half-space of the composite surface."""
 
+
 class IsogonalOctagon(CompositeSurface):
     """Infinite isogonal octagon composite surface
 
@@ -143,30 +144,29 @@ class IsogonalOctagon(CompositeSurface):
 
         # Orientation specific variables
         if axis == 'z':
-            coord_map = [0,1,2]
-            self.top = openmc.YPlane(y0=ctop, **kwargs)
-            self.bottom = openmc.YPlane(y0=cbottom, **kwargs)
-            self.right = openmc.XPlane(x0=cright, **kwargs)
-            self.left = openmc.XPlane(x0=cleft, **kwargs)
+            coord_map = [0, 1, 2]
+            self.top = openmc.YPlane(ctop, **kwargs)
+            self.bottom = openmc.YPlane(cbottom, **kwargs)
+            self.right = openmc.XPlane(cright, **kwargs)
+            self.left = openmc.XPlane(cleft, **kwargs)
         elif axis == 'y':
-            coord_map = [0,2,1]
-            self.top = openmc.ZPlane(z0=ctop, **kwargs)
-            self.bottom = openmc.ZPlane(z0=cbottom, **kwargs)
-            self.right = openmc.XPlane(x0=cright, **kwargs)
-            self.left = openmc.XPlane(x0=cleft, **kwargs)
+            coord_map = [0, 2, 1]
+            self.top = openmc.ZPlane(ctop, **kwargs)
+            self.bottom = openmc.ZPlane(cbottom, **kwargs)
+            self.right = openmc.XPlane(cright, **kwargs)
+            self.left = openmc.XPlane(cleft, **kwargs)
         elif axis == 'x':
-            coord_map = [2,0,1]
-            self.top = openmc.ZPlane(z0=ctop, **kwargs)
-            self.bottom = openmc.ZPlane(z0=cbottom, **kwargs)
-            self.right = openmc.YPlane(y0=cright, **kwargs)
-            self.left = openmc.YPlane(y0=cleft, **kwargs)
+            coord_map = [2, 0, 1]
+            self.top = openmc.ZPlane(ctop, **kwargs)
+            self.bottom = openmc.ZPlane(cbottom, **kwargs)
+            self.right = openmc.YPlane(cright, **kwargs)
+            self.left = openmc.YPlane(cleft, **kwargs)
 
         # Put our coordinates in (x,y,z) order
-        calibrated_points = []
         for p in points:
-            calibrated_points += [p[coord_map]]
+            p[:] = p[coord_map]
 
-        p1_ur, p2_ur, p3_ur, p1_lr, p2_lr, p3_lr = calibrated_points
+        #p1_ur, p2_ur, p3_ur, p1_lr, p2_lr, p3_lr = calibrated_points
 
         self.upper_right = openmc.Plane.from_points(p1_ur, p2_ur, p3_ur,
                                                     **kwargs)
@@ -177,7 +177,6 @@ class IsogonalOctagon(CompositeSurface):
         self.upper_left = openmc.Plane.from_points(-p1_lr, -p2_lr, -p3_lr,
                                                    **kwargs)
 
-
     def __neg__(self):
         region1 = -self.top & +self.bottom & -self.right & +self.left
         if self._axis == 'y':
@@ -189,7 +188,6 @@ class IsogonalOctagon(CompositeSurface):
 
         return region1 & region2
 
-
     def __pos__(self):
         region1 = +self.top | -self.bottom | +self.right | -self.left
         if self._axis == 'y':
diff --git a/tests/unit_tests/test_surface_composite.py b/tests/unit_tests/test_surface_composite.py
index c2620a92a..0668e82ac 100644
--- a/tests/unit_tests/test_surface_composite.py
+++ b/tests/unit_tests/test_surface_composite.py
@@ -160,9 +160,9 @@ def test_cone_one_sided(axis, point_pos, point_neg, ll_true):
     ]
 )
 def test_isogonal_octagon(axis, plane_tb, plane_lr, axis_idx):
-    center = np.array([0.,0.])
-    point_pos = np.array([0.8,0.8])
-    point_neg = np.array([0.7,0.7])
+    center = np.array([0., 0.])
+    point_pos = np.array([0.8, 0.8])
+    point_neg = np.array([0.7, 0.7])
     r1 = 1.
     r2 = 1.
     plane_top_bottom = getattr(openmc, plane_tb + "Plane")
@@ -221,4 +221,3 @@ def test_isogonal_octagon(axis, plane_tb, plane_lr, axis_idx):
     repr(s)
 
 
-

From 0a3ac3dea129574fc0d360bf79260de6bafa4977 Mon Sep 17 00:00:00 2001
From: yardasol <oyardas2@illinois.edu>
Date: Tue, 5 Apr 2022 10:11:41 -0500
Subject: [PATCH 0184/2654] switch ordering of coord_map in the y-axis case,
 remove unneeded if-statements, update docstring

---
 openmc/model/surface_composite.py | 46 ++++++++++++-------------------
 1 file changed, 17 insertions(+), 29 deletions(-)

diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index 7a92a69ef..25033ac4b 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -57,7 +57,7 @@ class IsogonalOctagon(CompositeSurface):
     """Infinite isogonal octagon composite surface
 
     An isogonal octagon is composed of eight planar surfaces. The prism is
-    parallel to the x, y, or z axis. The remaining two axes (y and z, x and z,
+    parallel to the x, y, or z axis. The remaining two axes (y and z, z and x,
     or x and y) serve as a basis for constructing the surfaces. Two surfaces
     are parallel to the first basis axis, two surfaces are parallel
     to the second basis axis, and the remaining four surfaces intersect both
@@ -71,7 +71,7 @@ class IsogonalOctagon(CompositeSurface):
     ----------
     center : iterable of float
         Coordinate for the central axis of the octagon in the
-        (y, z), (x, z), or (x, y) basis.
+        (y, z), (z, x), or (x, y) basis.
     r1 : float
         Half-width of octagon across its basis axis-parallel sides in units
         of cm. Assumed to be less than :math:`r_2\sqrt{2}`.
@@ -85,13 +85,13 @@ class IsogonalOctagon(CompositeSurface):
 
     Attributes
     ----------
-    top : openmc.ZPlane or openmc.YPlane
+    top : openmc.ZPlane, openmc.XPlane, or openmc.YPlane
         Top planar surface of octagon
-    bottom : openmc.ZPlane or openmc.YPlane
+    bottom : openmc.ZPlane, openmc.XPlane, or openmc.YPlane
         Bottom planar surface of octagon
-    right: openmc.YPlane or openmc.XPlane
+    right: openmc.YPlane, openmc.ZPlane, or openmc.XPlane
         Right planar surface of octagon
-    left: openmc.YPlane or openmc.XPlane
+    left: openmc.YPlane, openmc.ZPlane, or openmc.XPlane
         Left planar surface of octagon
     upper_right : openmc.Plane
         Upper right planar surface of octagon
@@ -150,11 +150,11 @@ class IsogonalOctagon(CompositeSurface):
             self.right = openmc.XPlane(cright, **kwargs)
             self.left = openmc.XPlane(cleft, **kwargs)
         elif axis == 'y':
-            coord_map = [0, 2, 1]
-            self.top = openmc.ZPlane(ctop, **kwargs)
-            self.bottom = openmc.ZPlane(cbottom, **kwargs)
-            self.right = openmc.XPlane(cright, **kwargs)
-            self.left = openmc.XPlane(cleft, **kwargs)
+            coord_map = [1, 2, 0]
+            self.top = openmc.XPlane(ctop, **kwargs)
+            self.bottom = openmc.XPlane(cbottom, **kwargs)
+            self.right = openmc.ZPlane(cright, **kwargs)
+            self.left = openmc.ZPlane(cleft, **kwargs)
         elif axis == 'x':
             coord_map = [2, 0, 1]
             self.top = openmc.ZPlane(ctop, **kwargs)
@@ -178,26 +178,14 @@ class IsogonalOctagon(CompositeSurface):
                                                    **kwargs)
 
     def __neg__(self):
-        region1 = -self.top & +self.bottom & -self.right & +self.left
-        if self._axis == 'y':
-            region2 = -self.upper_right & -self.lower_right & \
-                +self.lower_left & +self.upper_left
-        else:
-            region2 = +self.upper_right & +self.lower_right & \
-                -self.lower_left & -self.upper_left
-
-        return region1 & region2
+        return -self.top & +self.bottom & -self.right & +self.left & \
+            +self.upper_right & +self.lower_right & -self.lower_left & \
+            -self.upper_left
 
     def __pos__(self):
-        region1 = +self.top | -self.bottom | +self.right | -self.left
-        if self._axis == 'y':
-            region2 = +self.upper_right | +self.lower_right | \
-                -self.lower_left | -self.upper_left
-        else:
-            region2 = -self.upper_right | -self.lower_right | \
-                +self.lower_left | +self.upper_left
-
-        return region1 | region2
+        return +self.top | -self.bottom | +self.right | -self.left | \
+            -self.upper_right | -self.lower_right | +self.lower_left | \
+            +self.upper_left
 
 
 class RightCircularCylinder(CompositeSurface):

From a289cb73977abdbd15b9f50202f78d59ffd24025 Mon Sep 17 00:00:00 2001
From: yardasol <oyardas2@illinois.edu>
Date: Tue, 5 Apr 2022 10:14:50 -0500
Subject: [PATCH 0185/2654] change warnings to exceptions; remove cruft comment

---
 openmc/model/surface_composite.py | 15 ++++++---------
 1 file changed, 6 insertions(+), 9 deletions(-)

diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index 25033ac4b..6ecdd3152 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -4,7 +4,6 @@ from math import sqrt
 from numpy import array
 
 import openmc
-import warnings
 from openmc.checkvalue import check_greater_than, check_value
 
 class CompositeSurface(ABC):
@@ -74,10 +73,10 @@ class IsogonalOctagon(CompositeSurface):
         (y, z), (z, x), or (x, y) basis.
     r1 : float
         Half-width of octagon across its basis axis-parallel sides in units
-        of cm. Assumed to be less than :math:`r_2\sqrt{2}`.
+        of cm. Must be less than :math:`r_2\sqrt{2}`.
     r2 : float
         Half-width of octagon across its basis axis intersecting sides in
-        units of cm. Assumed to be less than :math:`r_1\sqrt{2}`.
+        units of cm. Must be less than than :math:`r_1\sqrt{2}`.
     axis : {'x', 'y', 'z'}
         Central axis of octagon. Defaults to 'z'
     **kwargs
@@ -122,11 +121,11 @@ class IsogonalOctagon(CompositeSurface):
 
         # Side lengths
         if r2 > r1 * sqrt(2):
-            warnings.warn(f'r2 is greater than sqrt(2) * r1. Octagon may' + \
-                          ' be erroneous.')
+            raise ValueError(f'r2 is greater than sqrt(2) * r1. Octagon' + \
+                             ' may be erroneous.')
         if r1 > r2 * sqrt(2):
-            warnings.warn(f'r1 is greater than sqrt(2) * r2. Octagon may' + \
-                          ' be erroneous.')
+            raise ValueError(f'r1 is greater than sqrt(2) * r2. Octagon' + \
+                             ' may be erroneous.')
 
         L_perp_ax1 = (r2 * sqrt(2) - r1) * 2
         L_perp_ax2 = (r1 * sqrt(2) - r2) * 2
@@ -166,8 +165,6 @@ class IsogonalOctagon(CompositeSurface):
         for p in points:
             p[:] = p[coord_map]
 
-        #p1_ur, p2_ur, p3_ur, p1_lr, p2_lr, p3_lr = calibrated_points
-
         self.upper_right = openmc.Plane.from_points(p1_ur, p2_ur, p3_ur,
                                                     **kwargs)
         self.lower_right = openmc.Plane.from_points(p1_lr, p2_lr, p3_lr,

From c1008a0d0fdc250b86b3906b50cdcb06c3643ade Mon Sep 17 00:00:00 2001
From: yardasol <oyardas2@illinois.edu>
Date: Tue, 5 Apr 2022 10:16:11 -0500
Subject: [PATCH 0186/2654] update unit test to match new basis for y case

---
 tests/unit_tests/test_surface_composite.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/tests/unit_tests/test_surface_composite.py b/tests/unit_tests/test_surface_composite.py
index 0668e82ac..3595c59e6 100644
--- a/tests/unit_tests/test_surface_composite.py
+++ b/tests/unit_tests/test_surface_composite.py
@@ -155,7 +155,7 @@ def test_cone_one_sided(axis, point_pos, point_neg, ll_true):
 @pytest.mark.parametrize(
     "axis, plane_tb, plane_lr, axis_idx", [
         ("x", "Z", "Y", 0),
-        ("y", "Z", "X", 1),
+        ("y", "X", "Z", 1),
         ("z", "Y", "X", 2),
     ]
 )

From 5cbf23b48617c444b252bc54229fbdc5cbd7f17c Mon Sep 17 00:00:00 2001
From: yardasol <45364492+yardasol@users.noreply.github.com>
Date: Tue, 5 Apr 2022 10:25:37 -0500
Subject: [PATCH 0187/2654] Remove unneeded attribute

---
 openmc/model/surface_composite.py | 1 -
 1 file changed, 1 deletion(-)

diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index 6ecdd3152..c61d3a3f9 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -109,7 +109,6 @@ class IsogonalOctagon(CompositeSurface):
                       'lower_right', 'upper_left')
 
     def __init__(self, center, r1, r2, axis='z', **kwargs):
-        self._axis = axis
         c1, c2 = center
 
         # Coords for axis-perpendicular planes

From be6afdc3355bfa26ca3c093f3cab01842a14e7ea Mon Sep 17 00:00:00 2001
From: yardasol <oyardas2@illinois.edu>
Date: Tue, 5 Apr 2022 10:31:31 -0500
Subject: [PATCH 0188/2654] optimize implementation

---
 openmc/model/surface_composite.py | 178 ++++++++++++++----------------
 1 file changed, 84 insertions(+), 94 deletions(-)

diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index a7c8d173e..03595ff4b 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -53,6 +53,90 @@ class CompositeSurface(ABC):
         """Return the negative half-space of the composite surface."""
 
 
+class CylinderSector(CompositeSurface):
+    """Infinite cylindrical sector composite surface
+
+    This class acts as a proper surface, meaning that unary `+` and `-`
+    operators applied to it will produce a half-space. The negative
+    side is defined to be the region inside of the cylinder sector.
+
+    Parameters
+    ----------
+    center : iterable of float
+         Coordinate for central axes of cylinders in the (y, z), (z, x), or
+         (x, y) basis. Defaults to (0,0)
+    r1, r2 : float
+        Inner and outer cylinder radii
+    theta0 : float
+        Angular offset of the sector in degrees relative to the primary basis
+        axis (+y, +z, or +x).
+    theta : float
+        Angular width of the sector in degrees.
+    axis : {'z', 'y', 'x'}
+        Central axis of the cylinders. Defaults to z
+    **kwargs
+        Keyword arguments passed to underlying plane classes
+
+    Attributes
+    ----------
+    outer : openmc.ZCylinder, openmc.YCylinder, or openmc.XCylinder
+        Outer cylinder surface
+    inner : openmc.ZCylinder, openmc.YCylinder, or openmc.XCylinder
+        Inner cylinder surface
+    plane0 : openmc.Plane
+        Plane at angle :math:`\theta_0` relative to the first basis axis
+    plane1 : openmc.Plane
+        Plane at angle :math:`\theta_0 + \theta` relative to the first
+        basis axis.
+
+    """
+
+    _surface_names = ('outer_cyl','inner_cyl',
+                      'plane0', 'plane1')
+
+    def __init__(self, center, r1, r2, theta0, theta, axis='z', **kwargs):
+        theta0 = pi / 180 * theta0
+        theta = pi / 180 * theta
+        theta1 = theta0 + theta
+
+        # Coords for axis-perpendicular planes
+        p1 = array([0.,0.,1.])
+
+        p2_plane0 = array([r1 * cos(theta0), r1 * sin(theta0), 0.])
+        p3_plane0 = array([r2 * cos(theta0), r2 * sin(theta0), 0.])
+
+        p2_plane1 = array([r1 * cos(theta1), r1 * sin(theta1), 0.])
+        p3_plane1 = array([r2 * cos(theta1), r2 * sin(theta1), 0.])
+
+        points = [p1, p2_plane0, p3_plane0, p2_plane1, p3_plane1]
+        if axis == 'z':
+            coord_map = [0,1,2]
+            self.inner_cyl = openmc.ZCylinder(*center, r1, **kwargs)
+            self.outer_cyl = openmc.ZCylinder(*center, r2, **kwargs)
+        elif axis == 'y':
+            coord_map = [1,2,0]
+            self.inner_cyl = openmc.YCylinder(*center, r1, **kwargs)
+            self.outer_cyl = openmc.YCylinder(*center, r2, **kwargs)
+        elif axis == 'x':
+            coord_map = [2,0,1]
+            self.inner_cyl = openmc.XCylinder(*center, r1, **kwargs)
+            self.outer_cyl = openmc.XCylinder(*center, r2, **kwargs)
+
+        for p in points:
+            p[:] = p[coord_map]
+
+        self.plane0 = openmc.Plane.from_points(p1, p2_plane0, p3_plane0,
+                                               **kwargs)
+        self.plane1 = openmc.Plane.from_points(p1, p2_plane1, p3_plane1,
+                                               **kwargs)
+
+    def __neg__(self):
+        return -self.outer_cyl & +self.inner_cyl & -self.plane0 &  +self.plane1
+
+    def __pos__(self):
+        return +self.outer_cyl | -self.inner_cyl | +self.plane0 | -self.plane1
+
+
 class RightCircularCylinder(CompositeSurface):
     """Right circular cylinder composite surface
 
@@ -167,100 +251,6 @@ class RectangularParallelepiped(CompositeSurface):
     def __pos__(self):
         return -self.xmin | +self.xmax | -self.ymin | +self.ymax | -self.zmin | +self.zmax
 
-class CylinderSector(CompositeSurface):
-    """Infinite cylindrical sector composite surface
-
-    This class acts as a proper surface, meaning that unary `+` and `-`
-    operators applied to it will produce a half-space. The negative
-    side is defined to be the region inside of the cylinder sector.
-
-    Parameters
-    ----------
-    center : iterable of float
-         Coordinate for central axes of cylinders in the (y, z), (x,z), or
-         (x, y) basis. Defaults to (0,0)
-    r1, r2 : float
-        Inner and outer cylinder radii
-    theta0 : float
-        Angular offset of the sector in degrees relative to the primary basis
-        axis (+y or +x).
-    theta : float
-        Angular width of the sector in degrees.
-    axis : {'z', 'y', 'x'}
-        Central axis of the cylinders. Defaults to z
-    **kwargs
-        Keyword arguments passed to underlying plane classes
-
-    Attributes
-    ----------
-    outer : openmc.ZCylinder, openmc.YCylinder, or openmc.XCylinder
-        Outer cylinder surface
-    inner : openmc.ZCylinder, openmc.YCylinder, or openmc.XCylinder
-        Inner cylinder surface
-    plane0 : openmc.Plane
-        Plane at angle :math:`\theta_0` relative to the first basis axis
-    plane1 : openmc.Plane
-        Plane at angle :math:`\theta_0 + \theta` relative to the first
-        basis axis.
-
-    """
-
-    _surface_names = ('outer_cyl','inner_cyl',
-                      'plane0', 'plane1')
-
-    def __init__(self, center, r1, r2, theta0, theta, axis='z', **kwargs):
-
-        self._axis = axis
-        theta0 = pi / 180 * theta0
-        theta = pi / 180 * theta
-        theta1 = theta0 + theta
-
-        # Coords for axis-perpendicular planes
-        p1 = array([0.,0.,1.])
-
-        p2_plane0 = array([r1 * cos(theta0), r1 * sin(theta0), 0.])
-        p3_plane0 = array([r2 * cos(theta0), r2 * sin(theta0), 0.])
-
-        p2_plane1 = array([r1 * cos(theta1), r1 * sin(theta1), 0.])
-        p3_plane1 = array([r2 * cos(theta1), r2 * sin(theta1), 0.])
-
-        points = [p1, p2_plane0, p3_plane0, p2_plane1, p3_plane1]
-        if axis == 'z':
-            coord_map = [0,1,2]
-            self.inner_cyl = openmc.ZCylinder(*center, r=r1, **kwargs)
-            self.outer_cyl = openmc.ZCylinder(*center, r=r2, **kwargs)
-        elif axis == 'y':
-            coord_map = [0,2,1]
-            self.inner_cyl = openmc.YCylinder(*center, r=r1, **kwargs)
-            self.outer_cyl = openmc.YCylinder(*center, r=r2, **kwargs)
-        elif axis == 'x':
-            coord_map = [2,0,1]
-            self.inner_cyl = openmc.XCylinder(*center, r=r1, **kwargs)
-            self.outer_cyl = openmc.XCylinder(*center, r=r2, **kwargs)
-
-        calibrated_points = []
-        for p in points:
-            calibrated_points += [p[coord_map]]
-
-        p1, p2_plane0, p3_plane0, p2_plane1, p3_plane1 = calibrated_points
-
-        self.plane0 = openmc.Plane.from_points(p1, p2_plane0, p3_plane0, **kwargs)
-        self.plane1 = openmc.Plane.from_points(p1, p2_plane1, p3_plane1, **kwargs)
-
-
-    def __neg__(self):
-        if self._axis == 'y':
-            return -self.outer_cyl & +self.inner_cyl & +self.plane0 &  -self.plane1
-        else:
-            return -self.outer_cyl & +self.inner_cyl & -self.plane0 &  +self.plane1
-
-
-    def __pos__(self):
-        if self._axis == 'y':
-            return +self.outer_cyl | -self.inner_cyl | -self.plane0 | +self.plane1
-        else:
-            return +self.outer_cyl | -self.inner_cyl | +self.plane0 | -self.plane1
-
 
 class XConeOneSided(CompositeSurface):
     """One-sided cone parallel the x-axis

From 01850016c6154841951b9de25ac153c79f845cbc Mon Sep 17 00:00:00 2001
From: Kalin Kiesling <krkiesling@gmail.com>
Date: Tue, 5 Apr 2022 15:32:43 -0500
Subject: [PATCH 0189/2654] use find_package(mpi) instead of relying on
 compilers set

---
 CMakeLists.txt | 24 +++++++++++++++++-------
 1 file changed, 17 insertions(+), 7 deletions(-)

diff --git a/CMakeLists.txt b/CMakeLists.txt
index e972c4937..511ce66b0 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -1,4 +1,4 @@
-cmake_minimum_required(VERSION 3.3 FATAL_ERROR)
+cmake_minimum_required(VERSION 3.10 FATAL_ERROR)
 project(openmc C CXX)
 
 # Set version numbers
@@ -30,6 +30,7 @@ option(OPENMC_ENABLE_PROFILE  "Compile with profiling flags"
 option(OPENMC_ENABLE_COVERAGE "Compile with coverage analysis flags"                 OFF)
 option(OPENMC_USE_DAGMC       "Enable support for DAGMC (CAD) geometry"              OFF)
 option(OPENMC_USE_LIBMESH     "Enable support for libMesh unstructured mesh tallies" OFF)
+option(OPENMC_USE_MPI         "Enable MPI"                                           OFF)
 
 #===============================================================================
 # Set a default build configuration if not explicitly specified
@@ -44,10 +45,9 @@ endif()
 # MPI for distributed-memory parallelism
 #===============================================================================
 
-set(MPI_ENABLED FALSE)
-if(${CMAKE_CXX_COMPILER} MATCHES "(mpi[^/]*|CC)$")
-  message(STATUS "Detected MPI wrapper: ${CMAKE_CXX_COMPILER}")
-  set(MPI_ENABLED TRUE)
+if(OPENMC_USE_MPI)
+  find_package(MPI REQUIRED)
+  include_directories(${MPI_CXX_INCLUDE_DIRS})
 endif()
 
 #===============================================================================
@@ -108,7 +108,7 @@ endif()
 
 find_package(HDF5 REQUIRED COMPONENTS C HL)
 if(HDF5_IS_PARALLEL)
-  if(NOT MPI_ENABLED)
+  if(NOT OPENMC_USE_MPI)
     message(FATAL_ERROR "Parallel HDF5 was detected, but the detected compiler,\
      ${CMAKE_CXX_COMPILER}, does not support MPI. An MPI-capable compiler must \
      be used with parallel HDF5.")
@@ -141,9 +141,15 @@ endif()
 
 set(CMAKE_POSITION_INDEPENDENT_CODE ON)
 
+if(OPENMC_USE_MPI)
+  list(APPEND cxxflags ${MPI_CXX_COMPILE_FLAGS})
+  list(APPEND ldflags  ${MPI_CXX_LINK_FLAGS})
+endif()
+
 if(OPENMC_ENABLE_PROFILE)
   list(APPEND cxxflags -g -fno-omit-frame-pointer)
 endif()
+
 if(OPENMC_ENABLE_COVERAGE)
   list(APPEND cxxflags --coverage)
   list(APPEND ldflags --coverage)
@@ -398,7 +404,7 @@ target_include_directories(libopenmc PRIVATE ${CMAKE_BINARY_DIR}/include)
 if (HDF5_IS_PARALLEL)
   target_compile_definitions(libopenmc PRIVATE -DPHDF5)
 endif()
-if (MPI_ENABLED)
+if (OPENMC_USE_MPI)
   target_compile_definitions(libopenmc PUBLIC -DOPENMC_MPI)
 endif()
 
@@ -440,6 +446,10 @@ if (PNG_FOUND)
   target_link_libraries(libopenmc PNG::PNG)
 endif()
 
+if (OPENMC_USE_MPI)
+  target_link_libraries(libopenmc MPI::MPI_CXX)
+endif()
+
 #===============================================================================
 # openmc executable
 #===============================================================================

From 447e9cf02da322f40478420aab9d65b8450cb09c Mon Sep 17 00:00:00 2001
From: Kalin Kiesling <krkiesling@gmail.com>
Date: Tue, 5 Apr 2022 15:56:10 -0500
Subject: [PATCH 0190/2654] updated ci with new mpi flags

---
 tools/ci/gha-install.py | 2 +-
 tools/ci/gha-install.sh | 1 -
 2 files changed, 1 insertion(+), 2 deletions(-)

diff --git a/tools/ci/gha-install.py b/tools/ci/gha-install.py
index 4cc85671d..4c69ba70b 100644
--- a/tools/ci/gha-install.py
+++ b/tools/ci/gha-install.py
@@ -34,7 +34,7 @@ def install(omp=False, mpi=False, phdf5=False, dagmc=False, libmesh=False):
 
     # Use MPI wrappers when building in parallel
     if mpi:
-        os.environ['CXX'] = 'mpicxx'
+        cmake_cmd.append('-DOPENMC_USE_MPI=on')
 
     # Tell CMake to prefer parallel HDF5 if specified
     if phdf5:
diff --git a/tools/ci/gha-install.sh b/tools/ci/gha-install.sh
index aa40eb90b..52e71b693 100755
--- a/tools/ci/gha-install.sh
+++ b/tools/ci/gha-install.sh
@@ -32,7 +32,6 @@ fi
 if [[ $MPI == 'y' ]]; then
     pip install --no-binary=mpi4py mpi4py
 
-    export CC=mpicc
     export HDF5_MPI=ON
     export HDF5_DIR=/usr/lib/x86_64-linux-gnu/hdf5/mpich
     pip install --no-binary=h5py h5py

From 837ccc73af47e433287e24ec7601d763fb6de001 Mon Sep 17 00:00:00 2001
From: Kalin Kiesling <krkiesling@gmail.com>
Date: Tue, 5 Apr 2022 15:59:09 -0500
Subject: [PATCH 0191/2654] updated documentation with new compile flag for mpi

---
 docs/source/usersguide/install.rst | 13 ++-----------
 1 file changed, 2 insertions(+), 11 deletions(-)

diff --git a/docs/source/usersguide/install.rst b/docs/source/usersguide/install.rst
index 42258b086..d7173e8c0 100644
--- a/docs/source/usersguide/install.rst
+++ b/docs/source/usersguide/install.rst
@@ -387,20 +387,11 @@ Example of configuring for Debug mode:
 Compiling with MPI
 ++++++++++++++++++
 
-To compile with MPI, set the :envvar:`CXX` environment variable to the path to
-the MPI C++ wrapper. For example, in a bash shell:
+To compile with MPI, use the `-DOPENMC_USE_MPI=on` cmake flag. For example, in a bash shell:
 
 .. code-block:: sh
 
-    export CXX=mpicxx
-    cmake /path/to/openmc
-
-Note that in many shells, environment variables can be set for a single command,
-i.e.
-
-.. code-block:: sh
-
-    CXX=mpicxx cmake /path/to/openmc
+    cmake -DOPENMC_USE_MPI=on /path/to/openmc
 
 Selecting HDF5 Installation
 +++++++++++++++++++++++++++

From 40294834939750dd67d48cf1538c4c7700d13f63 Mon Sep 17 00:00:00 2001
From: Kalin Kiesling <krkiesling@gmail.com>
Date: Tue, 5 Apr 2022 15:59:41 -0500
Subject: [PATCH 0192/2654] wording

---
 docs/source/usersguide/install.rst | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/docs/source/usersguide/install.rst b/docs/source/usersguide/install.rst
index d7173e8c0..53c06ab0a 100644
--- a/docs/source/usersguide/install.rst
+++ b/docs/source/usersguide/install.rst
@@ -387,7 +387,7 @@ Example of configuring for Debug mode:
 Compiling with MPI
 ++++++++++++++++++
 
-To compile with MPI, use the `-DOPENMC_USE_MPI=on` cmake flag. For example, in a bash shell:
+To compile with MPI, use the `-DOPENMC_USE_MPI=on` cmake option. For example, in a bash shell:
 
 .. code-block:: sh
 

From 20a18398bffcabf273df6b0f3c9cb2a68926bdd9 Mon Sep 17 00:00:00 2001
From: Kalin Kiesling <krkiesling@gmail.com>
Date: Tue, 5 Apr 2022 16:19:32 -0500
Subject: [PATCH 0193/2654] export cc=mpicc apparently necessary for h5py

---
 tools/ci/gha-install.sh | 1 +
 1 file changed, 1 insertion(+)

diff --git a/tools/ci/gha-install.sh b/tools/ci/gha-install.sh
index 52e71b693..aa40eb90b 100755
--- a/tools/ci/gha-install.sh
+++ b/tools/ci/gha-install.sh
@@ -32,6 +32,7 @@ fi
 if [[ $MPI == 'y' ]]; then
     pip install --no-binary=mpi4py mpi4py
 
+    export CC=mpicc
     export HDF5_MPI=ON
     export HDF5_DIR=/usr/lib/x86_64-linux-gnu/hdf5/mpich
     pip install --no-binary=h5py h5py

From 4f6001d574903fe728afda1f0a7b1fc181056253 Mon Sep 17 00:00:00 2001
From: Kalin Kiesling <krkiesling@gmail.com>
Date: Wed, 6 Apr 2022 09:28:02 -0500
Subject: [PATCH 0194/2654] updated method for setting mpi for regression tests

---
 tests/regression_tests/cpp_driver/test.py | 6 ++++--
 1 file changed, 4 insertions(+), 2 deletions(-)

diff --git a/tests/regression_tests/cpp_driver/test.py b/tests/regression_tests/cpp_driver/test.py
index 0726e4c6e..6870cfe7d 100644
--- a/tests/regression_tests/cpp_driver/test.py
+++ b/tests/regression_tests/cpp_driver/test.py
@@ -33,12 +33,14 @@ def cpp_driver(request):
     os.chdir(str(local_builddir))
 
     if config['mpi']:
-        os.environ['CXX'] = 'mpicxx'
+        mpi_arg = "On"
+    else:
+        mpi_arg = "Off"
 
     try:
         print("Building driver")
         # Run cmake/make to build the shared libary
-        subprocess.run(['cmake', os.path.pardir], check=True)
+        subprocess.run(['cmake', os.path.pardir, '-DOPENMC_USE_MPI=' + mpi_arg], check=True)
         subprocess.run(['make'], check=True)
         os.chdir(os.path.pardir)
 

From 4010b32cffe11e4cf20be99ca9edb7861f49de3a Mon Sep 17 00:00:00 2001
From: Kalin Kiesling <krkiesling@gmail.com>
Date: Wed, 6 Apr 2022 09:32:38 -0500
Subject: [PATCH 0195/2654] update mpi setting in another regression test

---
 tests/regression_tests/external_moab/test.py | 6 ++++--
 1 file changed, 4 insertions(+), 2 deletions(-)

diff --git a/tests/regression_tests/external_moab/test.py b/tests/regression_tests/external_moab/test.py
index caff6b5db..da55c735a 100644
--- a/tests/regression_tests/external_moab/test.py
+++ b/tests/regression_tests/external_moab/test.py
@@ -49,12 +49,14 @@ def cpp_driver(request):
     os.chdir(str(local_builddir))
 
     if config['mpi']:
-        os.environ['CXX'] = 'mpicxx'
+        mpi_arg = "On"
+    else:
+        mpi_arg = "Off"
 
     try:
         print("Building driver")
         # Run cmake/make to build the shared libary
-        subprocess.run(['cmake', os.path.pardir], check=True)
+        subprocess.run(['cmake', os.path.pardir, '-DOPENMC_USE_MPI=' + mpi_arg], check=True)
         subprocess.run(['make'], check=True)
         os.chdir(os.path.pardir)
 

From ac607a83f94e6bca761eb62f635440467bb739c6 Mon Sep 17 00:00:00 2001
From: Kalin Kiesling <krkiesling@gmail.com>
Date: Wed, 6 Apr 2022 09:33:49 -0500
Subject: [PATCH 0196/2654] updated more mpi instances in install documentation

---
 docs/source/usersguide/install.rst | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/docs/source/usersguide/install.rst b/docs/source/usersguide/install.rst
index 53c06ab0a..1cb00ae55 100644
--- a/docs/source/usersguide/install.rst
+++ b/docs/source/usersguide/install.rst
@@ -203,7 +203,7 @@ Prerequisites
       respectively. To link against a parallel HDF5 library, make sure to set
       the HDF5_PREFER_PARALLEL CMake option, e.g.::
 
-          CXX=mpicxx.mpich cmake -DHDF5_PREFER_PARALLEL=on ..
+          cmake -DHDF5_PREFER_PARALLEL=on -DOPENMC_USE_MPI=on ..
 
       Note that the exact package names may vary depending on your particular
       distribution and version.
@@ -263,7 +263,7 @@ Prerequisites
       installation should be specified as part of the ``CMAKE_PREFIX_PATH``
       variable.::
 
-          CXX=mpicxx cmake -DOPENMC_USE_LIBMESH=on -DCMAKE_PREFIX_PATH=/path/to/libmesh/installation
+          cmake -DOPENMC_USE_LIBMESH=on -DOPENMC_USE_MPI=on -DCMAKE_PREFIX_PATH=/path/to/libmesh/installation
 
       Note that libMesh is most commonly compiled with MPI support. If that
       is the case, then OpenMC should be compiled with MPI support as well.

From 0c4488c52e0b6aca1ba6ef319a4055b62741e4aa Mon Sep 17 00:00:00 2001
From: Kalin Kiesling <krkiesling@gmail.com>
Date: Wed, 6 Apr 2022 09:36:31 -0500
Subject: [PATCH 0197/2654] update mpi setting in dockerfile

---
 Dockerfile | 7 +++++--
 1 file changed, 5 insertions(+), 2 deletions(-)

diff --git a/Dockerfile b/Dockerfile
index 6a9b89009..755d9f2a0 100644
--- a/Dockerfile
+++ b/Dockerfile
@@ -59,8 +59,7 @@ ENV LIBMESH_INSTALL_DIR=$HOME/LIBMESH
 ENV NJOY_REPO='https://github.com/njoy/NJOY2016'
 
 # Setup environment variables for Docker image
-ENV CC=/usr/bin/mpicc CXX=/usr/bin/mpicxx \
-    LD_LIBRARY_PATH=${DAGMC_INSTALL_DIR}/lib:$LD_LIBRARY_PATH \
+ENV LD_LIBRARY_PATH=${DAGMC_INSTALL_DIR}/lib:$LD_LIBRARY_PATH \
     OPENMC_CROSS_SECTIONS=/root/nndc_hdf5/cross_sections.xml \
     OPENMC_ENDF_DATA=/root/endf-b-vii.1 \
     DEBIAN_FRONTEND=noninteractive
@@ -179,6 +178,7 @@ RUN mkdir -p ${HOME}/OpenMC && cd ${HOME}/OpenMC \
     && mkdir build && cd build ; \
     if [ ${build_dagmc} = "on" ] && [ ${build_libmesh} = "on" ]; then \
         cmake ../openmc \
+            -DOPENMC_USE_MPI=on \
             -DHDF5_PREFER_PARALLEL=on \
             -DOPENMC_USE_DAGMC=on \
             -DOPENMC_USE_LIBMESH=on \
@@ -186,18 +186,21 @@ RUN mkdir -p ${HOME}/OpenMC && cd ${HOME}/OpenMC \
     fi ; \
     if [ ${build_dagmc} = "on" ] && [ ${build_libmesh} = "off" ]; then \
         cmake ../openmc \
+            -DOPENMC_USE_MPI=on \
             -DHDF5_PREFER_PARALLEL=on \
             -DOPENMC_USE_DAGMC=ON \
             -DCMAKE_PREFIX_PATH=${DAGMC_INSTALL_DIR} ; \
     fi ; \
     if [ ${build_dagmc} = "off" ] && [ ${build_libmesh} = "on" ]; then \
         cmake ../openmc \
+            -DOPENMC_USE_MPI=on \
             -DHDF5_PREFER_PARALLEL=on \
             -DOPENMC_USE_LIBMESH=on \
             -DCMAKE_PREFIX_PATH=${LIBMESH_INSTALL_DIR} ; \
     fi ; \
     if [ ${build_dagmc} = "off" ] && [ ${build_libmesh} = "off" ]; then \
         cmake ../openmc \
+            -DOPENMC_USE_MPI=on \
             -DHDF5_PREFER_PARALLEL=on ; \
     fi ; \
     make 2>/dev/null -j${compile_cores} install \

From eedbfdc2b1e80e60dc524e0d3283c214f19943f1 Mon Sep 17 00:00:00 2001
From: Kalin Kiesling <krkiesling@gmail.com>
Date: Wed, 6 Apr 2022 13:29:34 -0500
Subject: [PATCH 0198/2654] removed unneeded lines

---
 CMakeLists.txt | 6 ------
 1 file changed, 6 deletions(-)

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 511ce66b0..d5018163f 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -47,7 +47,6 @@ endif()
 
 if(OPENMC_USE_MPI)
   find_package(MPI REQUIRED)
-  include_directories(${MPI_CXX_INCLUDE_DIRS})
 endif()
 
 #===============================================================================
@@ -141,11 +140,6 @@ endif()
 
 set(CMAKE_POSITION_INDEPENDENT_CODE ON)
 
-if(OPENMC_USE_MPI)
-  list(APPEND cxxflags ${MPI_CXX_COMPILE_FLAGS})
-  list(APPEND ldflags  ${MPI_CXX_LINK_FLAGS})
-endif()
-
 if(OPENMC_ENABLE_PROFILE)
   list(APPEND cxxflags -g -fno-omit-frame-pointer)
 endif()

From 3bcc45c9bd2f41e571728f8a7d39957d32b61fb1 Mon Sep 17 00:00:00 2001
From: Kalin Kiesling <krkiesling@gmail.com>
Date: Wed, 6 Apr 2022 13:29:48 -0500
Subject: [PATCH 0199/2654] find mpi in cmake config

---
 cmake/OpenMCConfig.cmake.in | 4 ++++
 1 file changed, 4 insertions(+)

diff --git a/cmake/OpenMCConfig.cmake.in b/cmake/OpenMCConfig.cmake.in
index 8f7ae7193..3279e5ba8 100644
--- a/cmake/OpenMCConfig.cmake.in
+++ b/cmake/OpenMCConfig.cmake.in
@@ -21,3 +21,7 @@ find_package(PNG)
 if(NOT TARGET OpenMC::libopenmc)
   include("${OpenMC_CMAKE_DIR}/OpenMCTargets.cmake")
 endif()
+
+if(@OPENMC_USE_MPI@)
+  find_package(MPI REQUIRED)
+endif()

From 3ba511c0566e5e26ab83a2c5c60ea261b3bdaf2e Mon Sep 17 00:00:00 2001
From: Kalin Kiesling <krkiesling@gmail.com>
Date: Wed, 6 Apr 2022 13:41:44 -0500
Subject: [PATCH 0200/2654] update mpi options

---
 docs/source/usersguide/install.rst | 17 ++++++-----------
 1 file changed, 6 insertions(+), 11 deletions(-)

diff --git a/docs/source/usersguide/install.rst b/docs/source/usersguide/install.rst
index 1cb00ae55..9a705b5fa 100644
--- a/docs/source/usersguide/install.rst
+++ b/docs/source/usersguide/install.rst
@@ -352,8 +352,12 @@ OPENMC_ENABLE_COVERAGE
   Compile and link code instrumented for coverage analysis. This is typically
   used in conjunction with gcov_. (Default: off)
 
+OPENMC_USE_MPI
+  Turns on compiling with MPI (default: off). For further information on MPI options,
+  please see the `FindMPI.cmake documentation <https://cmake.org/cmake/help/latest/module/FindMPI.html>`_.
+
 To set any of these options (e.g., turning on profiling), the following form
-should be used:
+should be used:ß
 
 .. code-block:: sh
 
@@ -382,16 +386,7 @@ Example of configuring for Debug mode:
 
 .. code-block:: sh
 
-    cmake -DCMAKE_BUILD_TYPE=Debug /path/to/openmc
-
-Compiling with MPI
-++++++++++++++++++
-
-To compile with MPI, use the `-DOPENMC_USE_MPI=on` cmake option. For example, in a bash shell:
-
-.. code-block:: sh
-
-    cmake -DOPENMC_USE_MPI=on /path/to/openmc
+    cmake -DCMAKE_BUILD_TYPE=Debug /path/to/openmcß
 
 Selecting HDF5 Installation
 +++++++++++++++++++++++++++

From f960553bedc3a82712474d1fa5b07b6f21017ea2 Mon Sep 17 00:00:00 2001
From: Kalin Kiesling <krkiesling@gmail.com>
Date: Wed, 6 Apr 2022 13:53:32 -0500
Subject: [PATCH 0201/2654] mpi_args formatting

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 tests/regression_tests/cpp_driver/test.py    | 2 +-
 tests/regression_tests/external_moab/test.py | 2 +-
 2 files changed, 2 insertions(+), 2 deletions(-)

diff --git a/tests/regression_tests/cpp_driver/test.py b/tests/regression_tests/cpp_driver/test.py
index 6870cfe7d..95912b3f7 100644
--- a/tests/regression_tests/cpp_driver/test.py
+++ b/tests/regression_tests/cpp_driver/test.py
@@ -40,7 +40,7 @@ def cpp_driver(request):
     try:
         print("Building driver")
         # Run cmake/make to build the shared libary
-        subprocess.run(['cmake', os.path.pardir, '-DOPENMC_USE_MPI=' + mpi_arg], check=True)
+        subprocess.run(['cmake', os.path.pardir, f'-DOPENMC_USE_MPI={mpi_arg}'], check=True)
         subprocess.run(['make'], check=True)
         os.chdir(os.path.pardir)
 
diff --git a/tests/regression_tests/external_moab/test.py b/tests/regression_tests/external_moab/test.py
index da55c735a..47e3ef80e 100644
--- a/tests/regression_tests/external_moab/test.py
+++ b/tests/regression_tests/external_moab/test.py
@@ -56,7 +56,7 @@ def cpp_driver(request):
     try:
         print("Building driver")
         # Run cmake/make to build the shared libary
-        subprocess.run(['cmake', os.path.pardir, '-DOPENMC_USE_MPI=' + mpi_arg], check=True)
+        subprocess.run(['cmake', os.path.pardir, f'-DOPENMC_USE_MPI={mpi_arg}'], check=True)
         subprocess.run(['make'], check=True)
         os.chdir(os.path.pardir)
 

From 6208b4077021415249c7bf56d8a01df4108661ae Mon Sep 17 00:00:00 2001
From: Kalin Kiesling <krkiesling@gmail.com>
Date: Wed, 6 Apr 2022 14:09:47 -0500
Subject: [PATCH 0202/2654] fixing a typo because I mix up control and command
 keys on macs still

---
 docs/source/usersguide/install.rst | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/docs/source/usersguide/install.rst b/docs/source/usersguide/install.rst
index 9a705b5fa..3277fc6e4 100644
--- a/docs/source/usersguide/install.rst
+++ b/docs/source/usersguide/install.rst
@@ -386,7 +386,7 @@ Example of configuring for Debug mode:
 
 .. code-block:: sh
 
-    cmake -DCMAKE_BUILD_TYPE=Debug /path/to/openmcß
+    cmake -DCMAKE_BUILD_TYPE=Debug /path/to/openmc
 
 Selecting HDF5 Installation
 +++++++++++++++++++++++++++

From ec4f1b71b54fabf9373e6d8b4e7a0d2add087865 Mon Sep 17 00:00:00 2001
From: Kalin Kiesling <krkiesling@gmail.com>
Date: Wed, 6 Apr 2022 14:14:12 -0500
Subject: [PATCH 0203/2654] fixing a typo because I mix up control and command
 keys on macs still - again

---
 docs/source/usersguide/install.rst | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/docs/source/usersguide/install.rst b/docs/source/usersguide/install.rst
index 3277fc6e4..3e3f7754a 100644
--- a/docs/source/usersguide/install.rst
+++ b/docs/source/usersguide/install.rst
@@ -357,7 +357,7 @@ OPENMC_USE_MPI
   please see the `FindMPI.cmake documentation <https://cmake.org/cmake/help/latest/module/FindMPI.html>`_.
 
 To set any of these options (e.g., turning on profiling), the following form
-should be used:ß
+should be used:
 
 .. code-block:: sh
 

From 60608ade3c89c295eeb97e258be143aaabb4a2fd Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Thu, 7 Apr 2022 10:12:01 -0500
Subject: [PATCH 0204/2654] apply @paulromano's suggestions

---
 openmc/model/surface_composite.py          | 21 ++++++++++-----------
 tests/unit_tests/test_surface_composite.py |  4 ++--
 2 files changed, 12 insertions(+), 13 deletions(-)

diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index c61d3a3f9..aef379d22 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -1,7 +1,7 @@
 from abc import ABC, abstractmethod
 from copy import copy
 from math import sqrt
-from numpy import array
+import numpy as np
 
 import openmc
 from openmc.checkvalue import check_greater_than, check_value
@@ -88,9 +88,9 @@ class IsogonalOctagon(CompositeSurface):
         Top planar surface of octagon
     bottom : openmc.ZPlane, openmc.XPlane, or openmc.YPlane
         Bottom planar surface of octagon
-    right: openmc.YPlane, openmc.ZPlane, or openmc.XPlane
+    right : openmc.YPlane, openmc.ZPlane, or openmc.XPlane
         Right planar surface of octagon
-    left: openmc.YPlane, openmc.ZPlane, or openmc.XPlane
+    left : openmc.YPlane, openmc.ZPlane, or openmc.XPlane
         Left planar surface of octagon
     upper_right : openmc.Plane
         Upper right planar surface of octagon
@@ -126,17 +126,16 @@ class IsogonalOctagon(CompositeSurface):
             raise ValueError(f'r1 is greater than sqrt(2) * r2. Octagon' + \
                              ' may be erroneous.')
 
-        L_perp_ax1 = (r2 * sqrt(2) - r1) * 2
-        L_perp_ax2 = (r1 * sqrt(2) - r2) * 2
+        L_perp_ax1 = (r2 * sqrt(2) - r1)
 
         # Coords for quadrant planes
-        p1_ur = array([L_perp_ax1/2, r1, 0.])
-        p2_ur = array([r1, L_perp_ax1/2, 0.])
-        p3_ur = array([r1, L_perp_ax1/2, 1.])
+        p1_ur = np.array([L_perp_ax1, r1, 0.])
+        p2_ur = np.array([r1, L_perp_ax1, 0.])
+        p3_ur = np.array([r1, L_perp_ax1, 1.])
 
-        p1_lr = array([r1, -L_perp_ax1/2, 0.])
-        p2_lr = array([L_perp_ax1/2, -r1, 0.])
-        p3_lr = array([L_perp_ax1/2, -r1, 1.])
+        p1_lr = np.array([r1, -L_perp_ax1, 0.])
+        p2_lr = np.array([L_perp_ax1, -r1, 0.])
+        p3_lr = np.array([L_perp_ax1, -r1, 1.])
 
         points = [p1_ur, p2_ur, p3_ur, p1_lr, p2_lr, p3_lr]
 
diff --git a/tests/unit_tests/test_surface_composite.py b/tests/unit_tests/test_surface_composite.py
index 3595c59e6..20670efcd 100644
--- a/tests/unit_tests/test_surface_composite.py
+++ b/tests/unit_tests/test_surface_composite.py
@@ -191,10 +191,10 @@ def test_isogonal_octagon(axis, plane_tb, plane_lr, axis_idx):
 
     # Check bounding box
     center = np.insert(center, axis_idx, np.inf)
-    xmax,ymax,zmax = center + r1
+    xmax, ymax, zmax = center + r1
     coord_min = center - r1
     coord_min[axis_idx] *= -1
-    xmin,ymin,zmin = coord_min
+    xmin, ymin, zmin = coord_min
     ll, ur = (+s).bounding_box
     assert np.all(np.isinf(ll))
     assert np.all(np.isinf(ur))

From 018296d463dc8d0da0d34e760181bdca270a4f90 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Thu, 7 Apr 2022 10:16:03 -0500
Subject: [PATCH 0205/2654] added unit test for checking invalud r1,r2 combos

---
 tests/unit_tests/test_surface_composite.py | 6 ++++++
 1 file changed, 6 insertions(+)

diff --git a/tests/unit_tests/test_surface_composite.py b/tests/unit_tests/test_surface_composite.py
index 20670efcd..0b1943137 100644
--- a/tests/unit_tests/test_surface_composite.py
+++ b/tests/unit_tests/test_surface_composite.py
@@ -217,6 +217,12 @@ def test_isogonal_octagon(axis, plane_tb, plane_lr, axis_idx):
     assert ur_t == pytest.approx(ur + t)
     assert ll_t == pytest.approx(ll + t)
 
+    # Check invalid r1, r2 combinations
+    with pytest.raises(ValueError):
+        openmc.model.IsogonalOctagon(center, r1=1.0, r2=10.)
+    with pytest.rasies(ValueError):
+        openmc.model.IsogonalOctagon(center, r1=10., r2=1.)
+
     # Make sure repr works
     repr(s)
 

From 16b894ffd84dd7dd4b7195396f94d4eff21cadf5 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Thu, 7 Apr 2022 10:16:16 -0500
Subject: [PATCH 0206/2654] rename internal variable

---
 openmc/model/surface_composite.py | 14 +++++++-------
 1 file changed, 7 insertions(+), 7 deletions(-)

diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index aef379d22..a34ce98cc 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -126,16 +126,16 @@ class IsogonalOctagon(CompositeSurface):
             raise ValueError(f'r1 is greater than sqrt(2) * r2. Octagon' + \
                              ' may be erroneous.')
 
-        L_perp_ax1 = (r2 * sqrt(2) - r1)
+        L_basis_ax = (r2 * sqrt(2) - r1)
 
         # Coords for quadrant planes
-        p1_ur = np.array([L_perp_ax1, r1, 0.])
-        p2_ur = np.array([r1, L_perp_ax1, 0.])
-        p3_ur = np.array([r1, L_perp_ax1, 1.])
+        p1_ur = np.array([L_basis_ax, r1, 0.])
+        p2_ur = np.array([r1, L_basis_ax, 0.])
+        p3_ur = np.array([r1, L_basis_ax, 1.])
 
-        p1_lr = np.array([r1, -L_perp_ax1, 0.])
-        p2_lr = np.array([L_perp_ax1, -r1, 0.])
-        p3_lr = np.array([L_perp_ax1, -r1, 1.])
+        p1_lr = np.array([r1, -L_basis_ax, 0.])
+        p2_lr = np.array([L_basis_ax, -r1, 0.])
+        p3_lr = np.array([L_basis_ax, -r1, 1.])
 
         points = [p1_ur, p2_ur, p3_ur, p1_lr, p2_lr, p3_lr]
 

From af579895dd5933dc42c07bbd2c025e233c6abd8d Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 7 Apr 2022 10:55:33 -0500
Subject: [PATCH 0207/2654] Refactor K-M slope calculation

---
 openmc/data/kalbach_mann.py                | 317 +++++----------------
 tests/unit_tests/test_data_kalbach_mann.py |  63 +---
 2 files changed, 80 insertions(+), 300 deletions(-)

diff --git a/openmc/data/kalbach_mann.py b/openmc/data/kalbach_mann.py
index 11e3acf40..5c0423f30 100644
--- a/openmc/data/kalbach_mann.py
+++ b/openmc/data/kalbach_mann.py
@@ -13,70 +13,6 @@ from .data import EV_PER_MEV
 from .endf import get_list_record, get_tab2_record
 
 
-# Kalbach-Mann constants as defined in ENDF-6 manual BNL-203218-2018-INRE,
-# Revision 215, File 6 description for LAW=1 and LANG=2.
-_C1 = 0.04  # [1/MeV]
-_C2 = 1.8E-6  # [1/MeV^3]
-_C3 = 6.7E-7  # [1/MeV^4]
-_ET1 = 130.  # [MeV]
-_ET3 = 41.  # [MeV]
-_M_NEUTRON = 1.
-_M_PROTON = 1.
-_M_DEUTERON = 1.
-_M_TRITON = None
-_M_3HE = None
-_M_ALPHA = 0.
-_SM_NEUTRON = 1/2.
-_SM_PROTON = 1.
-_SM_DEUTERON = 1.
-_SM_TRITON = 1.
-_SM_3HE = 1.
-_SM_ALPHA = 2.
-
-# Kalbach-Mann M coefficients
-_TABULATED_PARTICLE_M = {
-    1: _M_NEUTRON,
-    1001: _M_PROTON,
-    1002: _M_DEUTERON,
-    1003: _M_TRITON,
-    2003: _M_3HE,
-    2004: _M_ALPHA
-}
-
-# Kalbach-Mann m coefficients
-_TABULATED_PARTICLE_SM = {
-    1: _SM_NEUTRON,
-    1001: _SM_PROTON,
-    1002: _SM_DEUTERON,
-    1003: _SM_TRITON,
-    2003: _SM_3HE,
-    2004: _SM_ALPHA
-}
-
-# Breaking energy as defined in ENDF-6 manual BNL-203218-2018-INRE,
-# Revision 215, Appendix H, Table 3.
-_BREAKING_ENERGY_NEUTRON = 0.
-_BREAKING_ENERGY_PROTON = 0.
-_BREAKING_ENERGY_DEUTERON = 2.224566  # [MeV]
-_BREAKING_ENERGY_TRITON = 8.481798  # [MeV]
-_BREAKING_ENERGY_3HE = 7.718043  # [MeV]
-_BREAKING_ENERGY_ALPHA = 28.29566  # [MeV]
-
-_TABULATED_BREAKING_ENERGY = {
-    1: _BREAKING_ENERGY_NEUTRON,
-    1001: _BREAKING_ENERGY_PROTON,
-    1002: _BREAKING_ENERGY_DEUTERON,
-    1003: _BREAKING_ENERGY_TRITON,
-    2003: _BREAKING_ENERGY_3HE,
-    2004: _BREAKING_ENERGY_ALPHA
-}
-
-# Abundant IZA translation in merged library
-_IZA_TRANSLATION = {
-    6000: 6012,
-}
-
-
 class AtomicRepresentation(EqualityMixin):
     """Atomic representation of an isotope or a particle.
 
@@ -151,27 +87,6 @@ class AtomicRepresentation(EqualityMixin):
     def n(self):
         return self.a - self.z
 
-    @property
-    def breaking_energy(self):
-        breaking_energy = None
-        if self.iza in _TABULATED_BREAKING_ENERGY:
-            breaking_energy = _TABULATED_BREAKING_ENERGY[self.iza]
-        return breaking_energy
-
-    @property
-    def M(self):
-        M = None
-        if self.iza in _TABULATED_PARTICLE_M:
-            M = _TABULATED_PARTICLE_M[self.iza]
-        return M
-
-    @property
-    def m(self):
-        m = None
-        if self.iza in _TABULATED_PARTICLE_SM:
-            m = _TABULATED_PARTICLE_SM[self.iza]
-        return m
-
     @property
     def iza(self):
         iza = self.z * 1000 + self.a
@@ -234,16 +149,11 @@ class AtomicRepresentation(EqualityMixin):
             Atomic representation of the isotope/particle
 
         """
-        if iza in _IZA_TRANSLATION.keys():
-            iza = _IZA_TRANSLATION[iza]
-
-        z = int(iza/1000)
-        a = np.mod(iza, 1000)
-
+        z, a = divmod(iza, 1000)
         return cls(z, a)
 
 
-def _calculate_separation_energy(compound, nucleus, particle):
+def _separation_energy(compound, nucleus, particle):
     """Calculates the separation energy as defined in ENDF-6 manual
     BNL-203218-2018-INRE, Revision 215, File 6 description for LAW=1
     and LANG=2. This function can be used for the incident or emitted
@@ -251,158 +161,56 @@ def _calculate_separation_energy(compound, nucleus, particle):
 
     Parameters
     ----------
-    compound: AtomicRepresentation
+    compound : AtomicRepresentation
         Atomic representation of the compound (C)
-    nucleus: AtomicRepresentation
+    nucleus : AtomicRepresentation
         Atomic representation of the nucleus (A or B)
-    particle: AtomicRepresentation
+    particle : AtomicRepresentation
         Atomic representation of the particle (a or b)
 
     Returns
     -------
-    separation_energy: float
+    separation_energy : float
         Separation energy in MeV
 
     """
-    coef_1 = 15.68 * (compound.a - nucleus.a)
-    coef_2 = 28.07 * ((compound.n - compound.z)**2 / float(compound.a) - \
-        (nucleus.n - nucleus.z)**2 / float(nucleus.a))
-    coef_3 = 18.56 * (compound.a**(2./3.) - nucleus.a**(2./3.))
-    coef_4 = 33.22 * ((compound.n - compound.z)**2 / float(compound.a)**(4./3.) - \
-        (nucleus.n - nucleus.z)**2 / float(nucleus.a)**(4./3.))
-    coef_5 = 0.717 * (compound.z**2 / float(compound.a)**(1./3.) - \
-        nucleus.z**2 / float(nucleus.a)**(1./3.))
-    coef_6 = 1.211 * (compound.z**2 / float(compound.a) - \
-        nucleus.z**2 / float(nucleus.a))
+    # Determine A, Z, and N for compound and nucleus
+    A_c = compound.a
+    Z_c = compound.z
+    N_c = compound.n
+    A_a = nucleus.a
+    Z_a = nucleus.z
+    N_a = nucleus.n
 
-    separation_energy = coef_1 - coef_2 - coef_3 + coef_4 \
-        - coef_5 + coef_6 - particle.breaking_energy
+    # Determine breakup energy of incident particle (ENDF-6 Formats Manual,
+    # Appendix H, Table 3)
+    iza_to_breaking_energy = {
+        1: 0.0,
+        1001: 0.0,
+        1002: 2.224566,
+        1003: 8.481798,
+        2003: 7.718043,
+        2004: 28.29566
+    }
+    I_b = iza_to_breaking_energy[particle.iza]
 
-    return separation_energy
+    # Eq. 4 in in doi:10.1103/PhysRevC.37.2350 or ENDF-6 Formats Manual section
+    # 6.2.3.2
+    return (
+        15.68 * (A_c - A_a) -
+        28.07 * ((N_c - Z_c)**2 / A_c - (N_a - Z_a)**2 / A_a) -
+        18.56 * (A_c**(2./3.) - A_a**(2./3.)) +
+        33.22 * ((N_c - Z_c)**2 / A_c**(4./3.) - (N_a - Z_a)**2 / A_a**(4./3.)) -
+        0.717 * (Z_c**2 / A_c**(1./3.) - Z_a**2 / A_a**(1./3.)) +
+        1.211 * (Z_c**2 / A_c - Z_a**2 / A_a) -
+        I_b
+    )
 
 
-def _return_entrance_channel_energy(e_p, awr_t, awr_p):
-    """Returns the entrance channel energy as defined in ENDF-6 manual
-    BNL-203218-2018-INRE, Revision 215, File 6 description for LAW=1
-    and LANG=2.
-
-    Parameters
-    ----------
-    e_p: float
-        Energy of the incident projectile in the laboratory system in eV
-    awr_t: float
-        Atomic weight ratio of the target
-    awr_p: float
-        Atomic weight ratio of the projectile
-
-    Returns
-    -------
-    epsilon_p: float
-        Entrance channel energy in eV
-
-    """
-    epsilon_p = e_p * awr_t / (awr_t + awr_p)
-    return epsilon_p
-
-
-def _return_emission_channel_energy(e_e, awr_r, awr_e):
-    """Returns the emission channel energy as defined in ENDF-6 manual
-    BNL-203218-2018-INRE, Revision 215, File 6 description for LAW=1
-    and LANG=2.
-
-    Parameters
-    ----------
-    e_e: float
-        Energy of the emitted particle in the center of mass system in eV
-    awr_r: float
-        Atomic weight ratio of the residual nucleus
-    awr_e: float
-        Atomic weight ratio of the emitted particle
-
-    Returns
-    -------
-    epsilon_e: float
-        Emission channel energy in eV
-
-    """
-    epsilon_e = e_e * (awr_r + awr_e) / awr_r
-    return epsilon_e
-
-
-def _calculate_kalbach_slope(energy_projectile,
-                             energy_emitted,
-                             projectile,
-                             target,
-                             compound,
-                             emitted,
-                             residual):
-    """Calculate the Kalbach slope for projectiles other than photons
-    as defined in ENDF-6 manual BNL-203218-2018-INRE, Revision 215,
-    File 6 description for LAW=1 and LANG=2.
-
-    The entrance and emission channel energies are not calculated with
-    the AWR number, but approximated with the number of mass instead.
-
-    Parameters
-    ----------
-    energy_projectile: float
-        Energy of the projectile in the laboratory system in eV
-    energy_emitted: float
-        Energy of the emitted particle in the center of mass system in eV
-    projectile: AtomicRepresentation
-        Atomic representation of the projectile
-    target: AtomicRepresentation
-        Atomic representation of the target
-    compound: AtomicRepresentation
-        Atomic representation of the compound
-    emitted: AtomicRepresentation
-        Atomic representation of the emitted particle
-    residual: AtomicRepresentation
-        Atomic representation of the residual nucleus
-
-    Returns
-    -------
-    slope: float
-        Kalbach-Mann slope
-
-    """
-    epsilon_a = _return_entrance_channel_energy(
-        energy_projectile,
-        target.a,
-        projectile.a
-    ) / EV_PER_MEV
-    epsilon_b = _return_emission_channel_energy(
-        energy_emitted,
-        residual.a,
-        emitted.a
-    ) / EV_PER_MEV
-
-    s_a = _calculate_separation_energy(compound, target, projectile)
-    s_b = _calculate_separation_energy(compound, residual, emitted)
-
-    e_a = epsilon_a + s_a
-    e_b = epsilon_b + s_b
-
-    r_1 = min(e_a, _ET1)
-    r_3 = min(e_a, _ET3)
-
-    x_1 = r_1 * e_b / e_a
-    x_3 = r_3 * e_b / e_a
-
-    slope = _C1 * x_1 \
-        + _C2 * x_1**3 \
-        + _C3 * projectile.M * emitted.m * x_3**4
-
-    return slope
-
-
-def return_kalbach_slope(energy_projectile,
-                         energy_emitted,
-                         iza_projectile,
-                         iza_emitted,
-                         iza_target):
+def kalbach_slope(energy_projectile, energy_emitted, iza_projectile,
+                  iza_emitted, iza_target):
     """Returns Kalbach-Mann slope from calculations.
-    
+
     The associated reaction is defined as:
     A + a -> C -> B + b
 
@@ -456,21 +264,42 @@ def return_kalbach_slope(energy_projectile,
             "Developed and tested for neutron projectile only."
         )
 
+    # Special handling of elemental carbon
+    if iza_emitted == 6000:
+        iza_emitted = 6012
+    if iza_target == 6000:
+        iza_target = 6012
+
     projectile = AtomicRepresentation.from_iza(iza_projectile)
     emitted = AtomicRepresentation.from_iza(iza_emitted)
     target = AtomicRepresentation.from_iza(iza_target)
     compound = projectile + target
     residual = compound - emitted
 
-    slope = _calculate_kalbach_slope(
-        energy_projectile,
-        energy_emitted,
-        projectile,
-        target,
-        compound,
-        emitted,
-        residual
-    )
+    # Calculate entrance and emission channel energy in MeV, defined in section
+    # 6.2.3.2 in the ENDF-6 Formats Manual
+    epsilon_a = energy_projectile * target.a / (target.a + projectile.a) / EV_PER_MEV
+    epsilon_b = energy_emitted * (residual.a + emitted.a) \
+        / (residual.a * EV_PER_MEV)
+
+    # Calculate separation energies using Eq. 4 in doi:10.1103/PhysRevC.37.2350
+    # or ENDF-6 Formats Manual section 6.2.3.2
+    s_a = _separation_energy(compound, target, projectile)
+    s_b = _separation_energy(compound, residual, emitted)
+
+    # See Eq. 10 in doi:10.1103/PhysRevC.37.2350 or section 6.2.3.2 in the
+    # ENDF-6 Formats Manual
+    iza_to_M = {1: 1.0, 1001: 1.0, 1002: 1.0, 2004: 0.0}
+    iza_to_m = {1: 0.5, 1001: 1.0, 1002: 1.0, 1003: 1.0, 2003: 1.0, 2004: 2.0}
+    M = iza_to_M[projectile.iza]
+    m = iza_to_m[emitted.iza]
+    e_a = epsilon_a + s_a
+    e_b = epsilon_b + s_b
+    r_1 = min(e_a, 130.)
+    r_3 = min(e_a, 41.)
+    x_1 = r_1 * e_b / e_a
+    x_3 = r_3 * e_b / e_a
+    slope = 0.04 * x_1 + 1.8e-6 * x_1**3 + 6.7e-7 * M * m * x_3**4
 
     return float("%7e" % slope)
 
@@ -889,11 +718,11 @@ class KalbachMann(AngleEnergy):
                 else:
                     # TODO: retrieve IZA of the projectile
                     iza_projectile = 1
-                    a_i = [return_kalbach_slope(energy_projectile=energy[i],
-                                                energy_emitted=e,
-                                                iza_projectile=iza_projectile,
-                                                iza_emitted=iza_emitted,
-                                                iza_target=iza_target)
+                    a_i = [kalbach_slope(energy_projectile=energy[i],
+                                         energy_emitted=e,
+                                         iza_projectile=iza_projectile,
+                                         iza_emitted=iza_emitted,
+                                         iza_target=iza_target)
                            for e in eout_i]
                     calculated_slope.append(True)
 
diff --git a/tests/unit_tests/test_data_kalbach_mann.py b/tests/unit_tests/test_data_kalbach_mann.py
index 99869808d..643fffcfc 100644
--- a/tests/unit_tests/test_data_kalbach_mann.py
+++ b/tests/unit_tests/test_data_kalbach_mann.py
@@ -7,14 +7,8 @@ import numpy as np
 
 from openmc.data import IncidentNeutron
 from openmc.data import AtomicRepresentation
-from openmc.data.kalbach_mann import _BREAKING_ENERGY_TRITON
-from openmc.data.kalbach_mann import _M_TRITON
-from openmc.data.kalbach_mann import _SM_TRITON
-from openmc.data.kalbach_mann import _calculate_separation_energy
-from openmc.data.kalbach_mann import _return_emission_channel_energy
-from openmc.data.kalbach_mann import _return_entrance_channel_energy
-from openmc.data.kalbach_mann import _calculate_kalbach_slope
-from openmc.data import return_kalbach_slope
+from openmc.data.kalbach_mann import _separation_energy
+from openmc.data import kalbach_slope
 from openmc.data import KalbachMann
 
 from . import needs_njoy
@@ -61,9 +55,6 @@ def test_atomic_representation(neutron, triton, b10, c12, c13, na23):
     # Test instanciation from_iza
     assert b10 == AtomicRepresentation.from_iza(5010)
 
-    # Test instanciation from_iza using IZA translation
-    assert c12 == AtomicRepresentation.from_iza(6000)
-
     # Test addition
     assert c13 + b10 == na23
 
@@ -75,18 +66,12 @@ def test_atomic_representation(neutron, triton, b10, c12, c13, na23):
     assert c13.a == 13
     assert c13.z == 6
     assert c13.n == 7
-    assert c13.breaking_energy is None
-    assert c13.M is None
-    assert c13.m is None
     assert c13.iza == 6013
 
     # Test properties when information for Kalbach-Mann are given
     assert triton.a == 3
     assert triton.z == 1
     assert triton.n == 2
-    assert triton.breaking_energy == _BREAKING_ENERGY_TRITON
-    assert triton.M == _M_TRITON
-    assert triton.m == _SM_TRITON
     assert triton.iza == 1003
 
     # Test instanciation errors
@@ -102,50 +87,16 @@ def test_atomic_representation(neutron, triton, b10, c12, c13, na23):
         neutron - triton
 
 
-def test__calculate_separation_energy(triton, b10, c13):
+def test_separation_energy(triton, b10, c13):
     """Comparison to hand-calculations on a simple example."""
-    assert _calculate_separation_energy(
+    assert _separation_energy(
         compound=c13,
         nucleus=b10,
         particle=triton
     ) == pytest.approx(18.6880713)
 
 
-def test__return_entrance_channel_energy():
-    """Comparison to hand-calculations on a simple example."""
-    assert _return_entrance_channel_energy(
-        e_p=5.2,
-        awr_t=13.7,
-        awr_p=7.2
-    ) == pytest.approx(3.4086124)
-
-
-def test__return_emission_channel_energy():
-    """Comparison to hand-calculations on a simple example."""
-    assert _return_emission_channel_energy(
-        e_e=6.8,
-        awr_r=49.2,
-        awr_e=5.4
-    ) == pytest.approx(7.5463415)
-
-
-def test__calculate_kalbach_slope(neutron, triton, b10, c12, c13):
-    """Comparison to hand-calculations for n + c12 -> c13 -> triton + b10."""
-    energy_projectile = 10.2  # [eV]
-    energy_emitted = 5.4  # [eV]
-
-    assert _calculate_kalbach_slope(
-        energy_projectile=energy_projectile,
-        energy_emitted=energy_emitted,
-        projectile=neutron,
-        target=c12,
-        compound=c13,
-        emitted=triton,
-        residual=b10
-    ) == pytest.approx(0.8409921475)
-
-
-def test_return_kalbach_slope():
+def test_kalbach_slope():
     """Comparison to hand-calculations for n + c12 -> c13 -> triton + b10."""
     energy_projectile = 10.2  # [eV]
     energy_emitted = 5.4  # [eV]
@@ -153,7 +104,7 @@ def test_return_kalbach_slope():
     # Check that NotImplementedError is raised if the projectile is not
     # a neutron
     with pytest.raises(NotImplementedError):
-        return_kalbach_slope(
+        kalbach_slope(
             energy_projectile=energy_projectile,
             energy_emitted=energy_emitted,
             iza_projectile=1000,
@@ -161,7 +112,7 @@ def test_return_kalbach_slope():
             iza_target=6012
         )
 
-    assert return_kalbach_slope(
+    assert kalbach_slope(
         energy_projectile=energy_projectile,
         energy_emitted=energy_emitted,
         iza_projectile=1,

From e7595c32015e73671a96a3b2cec6ab9b8ca1c491 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 7 Apr 2022 10:58:15 -0500
Subject: [PATCH 0208/2654] Don't throw away precision on K-M slope calculation

---
 openmc/data/kalbach_mann.py                | 4 +---
 tests/unit_tests/test_data_kalbach_mann.py | 4 ++--
 2 files changed, 3 insertions(+), 5 deletions(-)

diff --git a/openmc/data/kalbach_mann.py b/openmc/data/kalbach_mann.py
index 5c0423f30..932deea87 100644
--- a/openmc/data/kalbach_mann.py
+++ b/openmc/data/kalbach_mann.py
@@ -299,9 +299,7 @@ def kalbach_slope(energy_projectile, energy_emitted, iza_projectile,
     r_3 = min(e_a, 41.)
     x_1 = r_1 * e_b / e_a
     x_3 = r_3 * e_b / e_a
-    slope = 0.04 * x_1 + 1.8e-6 * x_1**3 + 6.7e-7 * M * m * x_3**4
-
-    return float("%7e" % slope)
+    return 0.04 * x_1 + 1.8e-6 * x_1**3 + 6.7e-7 * M * m * x_3**4
 
 
 class KalbachMann(AngleEnergy):
diff --git a/tests/unit_tests/test_data_kalbach_mann.py b/tests/unit_tests/test_data_kalbach_mann.py
index 643fffcfc..27890dacd 100644
--- a/tests/unit_tests/test_data_kalbach_mann.py
+++ b/tests/unit_tests/test_data_kalbach_mann.py
@@ -173,7 +173,7 @@ def test_comparison_slope_hdf5(hdf5_filename, endf_type, endf_filename):
         np.testing.assert_array_almost_equal(
             endf_distribution.slope[i].y,
             hdf5_slope.y,
-            decimal=6
+            decimal=5
         )
 
 
@@ -227,5 +227,5 @@ def test_comparison_slope_njoy(endf_type, endf_filename):
         np.testing.assert_array_almost_equal(
             endf_distribution.slope[i].y,
             njoy_slope.y,
-            decimal=6
+            decimal=5
         )

From a8fd1ddf7144b657d7050eba01a4bd4255aed406 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 7 Apr 2022 11:11:51 -0500
Subject: [PATCH 0209/2654] Change iza --> za

---
 openmc/data/kalbach_mann.py                | 119 +++++++++------------
 tests/unit_tests/test_data_kalbach_mann.py |  20 ++--
 2 files changed, 61 insertions(+), 78 deletions(-)

diff --git a/openmc/data/kalbach_mann.py b/openmc/data/kalbach_mann.py
index 932deea87..8d1a5c2e1 100644
--- a/openmc/data/kalbach_mann.py
+++ b/openmc/data/kalbach_mann.py
@@ -18,36 +18,28 @@ class AtomicRepresentation(EqualityMixin):
 
     Parameters
     ----------
-    z: int
+    z : int
         Number of protons (atomic number)
-    a: int
+    a : int
         Number of nucleons (mass number)
 
     Raises
     ------
-    IOError:
+    IOError
         When the number of protons (z) declared is higher than the number
         of nucleons (a)
 
     Attributes
     ----------
-    z: int
+    z : int
         Number of protons (atomic number)
-    a: int
+    a : int
         Number of nucleons (mass number)
-    n: int
+    n : int
         Number of neutrons
-    breaking_energy: float
-        Energy required to break the isotope or particle into their
-        constituent nucleons from tabulated values
-    M: float
-        Kalbach-Mann M coefficient
-    m: float
-        Kalbach-Mann m coefficient
-    iza: int
-        ZA identifier defined as:
-        iza = Z x 1000 + A,
-        where Z is the number of protons and A the number of nucleons
+    za : int
+        ZA identifier, 1000*Z + A, where Z is the atomic number and A the mass
+        number
 
     """
     def __init__(self, z, a):
@@ -88,9 +80,8 @@ class AtomicRepresentation(EqualityMixin):
         return self.a - self.z
 
     @property
-    def iza(self):
-        iza = self.z * 1000 + self.a
-        return iza
+    def za(self):
+        return self.z * 1000 + self.a
 
     @a.setter
     def a(self, an):
@@ -112,9 +103,9 @@ class AtomicRepresentation(EqualityMixin):
 
         Parameters
         ----------
-        z: int
+        z : int
             Number of protons (atomic number)
-        a: int
+        a : int
             Number of nucleons (mass number)
 
         Raises
@@ -131,17 +122,14 @@ class AtomicRepresentation(EqualityMixin):
             )
 
     @classmethod
-    def from_iza(cls, iza):
+    def from_za(cls, za):
         """Instantiates an AtomicRepresentation from a ZA identifier.
 
-        The ZA identifier is defined as:
-        iza = Z x 1000 + A,
-        where Z is the number of protons and A the number of nucleons.
-
         Parameters
         ----------
-        iza: int
-            ZA identifier
+        za : int
+            ZA identifier, 1000*Z + A, where Z is the atomic number and A the
+            mass number
 
         Returns
         -------
@@ -149,7 +137,7 @@ class AtomicRepresentation(EqualityMixin):
             Atomic representation of the isotope/particle
 
         """
-        z, a = divmod(iza, 1000)
+        z, a = divmod(za, 1000)
         return cls(z, a)
 
 
@@ -184,7 +172,7 @@ def _separation_energy(compound, nucleus, particle):
 
     # Determine breakup energy of incident particle (ENDF-6 Formats Manual,
     # Appendix H, Table 3)
-    iza_to_breaking_energy = {
+    za_to_breaking_energy = {
         1: 0.0,
         1001: 0.0,
         1002: 2.224566,
@@ -192,7 +180,7 @@ def _separation_energy(compound, nucleus, particle):
         2003: 7.718043,
         2004: 28.29566
     }
-    I_b = iza_to_breaking_energy[particle.iza]
+    I_b = za_to_breaking_energy[particle.za]
 
     # Eq. 4 in in doi:10.1103/PhysRevC.37.2350 or ENDF-6 Formats Manual section
     # 6.2.3.2
@@ -207,8 +195,8 @@ def _separation_energy(compound, nucleus, particle):
     )
 
 
-def kalbach_slope(energy_projectile, energy_emitted, iza_projectile,
-                  iza_emitted, iza_target):
+def kalbach_slope(energy_projectile, energy_emitted, za_projectile,
+                  za_emitted, za_target):
     """Returns Kalbach-Mann slope from calculations.
 
     The associated reaction is defined as:
@@ -222,10 +210,6 @@ def kalbach_slope(energy_projectile, energy_emitted, iza_projectile,
     - B is the residual nucleus,
     - b is the emitted particle.
 
-    This function uses the concept of ZA identifier defined as:
-    iza = Z x 1000 + A,
-    where Z is the number of protons and A the number of nucleons.
-
     The Kalbach-Mann slope calculation is done as defined in ENDF-6 manual
     BNL-203218-2018-INRE, Revision 215, File 6 description for LAW=1 and
     LANG=2. One exception to this, is that the entrance and emission channel
@@ -234,45 +218,44 @@ def kalbach_slope(energy_projectile, energy_emitted, iza_projectile,
 
     Parameters
     ----------
-    energy_projectile: float
+    energy_projectile : float
         Energy of the projectile in the laboratory system in eV
-    energy_emitted: float
+    energy_emitted : float
         Energy of the emitted particle in the center of mass system in eV
-    iza_projectile: int
+    za_projectile : int
         ZA identifier of the projectile
-    iza_emitted: int
+    za_emitted : int
         ZA identifier of the emitted particle
-    iza_target: int
+    za_target : int
         ZA identifier of the targeted nucleus
 
     Raises
     ------
-    NotImplementedError:
-        When the ZA identifier of the projectile is not equal to 1
-        (ie. other than a neutron).
+    NotImplementedError
+        When the projectile is not a neutron
 
     Returns
     -------
-    slope: float
+    slope : float
         Kalbach-Mann slope given with the same format as ACE file.
 
     """
     # TODO: develop for photons as projectile
     # TODO: test for other particles than neutron
-    if iza_projectile != 1:
+    if za_projectile != 1:
         raise NotImplementedError(
             "Developed and tested for neutron projectile only."
         )
 
     # Special handling of elemental carbon
-    if iza_emitted == 6000:
-        iza_emitted = 6012
-    if iza_target == 6000:
-        iza_target = 6012
+    if za_emitted == 6000:
+        za_emitted = 6012
+    if za_target == 6000:
+        za_target = 6012
 
-    projectile = AtomicRepresentation.from_iza(iza_projectile)
-    emitted = AtomicRepresentation.from_iza(iza_emitted)
-    target = AtomicRepresentation.from_iza(iza_target)
+    projectile = AtomicRepresentation.from_za(za_projectile)
+    emitted = AtomicRepresentation.from_za(za_emitted)
+    target = AtomicRepresentation.from_za(za_target)
     compound = projectile + target
     residual = compound - emitted
 
@@ -289,10 +272,10 @@ def kalbach_slope(energy_projectile, energy_emitted, iza_projectile,
 
     # See Eq. 10 in doi:10.1103/PhysRevC.37.2350 or section 6.2.3.2 in the
     # ENDF-6 Formats Manual
-    iza_to_M = {1: 1.0, 1001: 1.0, 1002: 1.0, 2004: 0.0}
-    iza_to_m = {1: 0.5, 1001: 1.0, 1002: 1.0, 1003: 1.0, 2003: 1.0, 2004: 2.0}
-    M = iza_to_M[projectile.iza]
-    m = iza_to_m[emitted.iza]
+    za_to_M = {1: 1.0, 1001: 1.0, 1002: 1.0, 2004: 0.0}
+    za_to_m = {1: 0.5, 1001: 1.0, 1002: 1.0, 1003: 1.0, 2003: 1.0, 2004: 2.0}
+    M = za_to_M[projectile.za]
+    m = za_to_m[emitted.za]
     e_a = epsilon_a + s_a
     e_b = epsilon_b + s_b
     r_1 = min(e_a, 130.)
@@ -642,7 +625,7 @@ class KalbachMann(AngleEnergy):
         return cls(breakpoints, interpolation, energy, energy_out, km_r, km_a)
 
     @classmethod
-    def from_endf(cls, file_obj, iza_emitted, iza_target, projectile_mass):
+    def from_endf(cls, file_obj, za_emitted, za_target, projectile_mass):
         """Generate Kalbach-Mann distribution from an ENDF evaluation.
 
         If the projectile is a neutron, the slope is calculated when it is
@@ -652,11 +635,11 @@ class KalbachMann(AngleEnergy):
         ----------
         file_obj : file-like object
             ENDF file positioned at the start of the Kalbach-Mann distribution
-        iza_emitted : int
+        za_emitted : int
             ZA identifier of the emitted particle
-        iza_target : int
+        za_target : int
             ZA identifier of the target
-        projectile_mass: float
+        projectile_mass : float
             Mass of the projectile
 
         Warns
@@ -714,13 +697,13 @@ class KalbachMann(AngleEnergy):
                     calculated_slope.append(False)
 
                 else:
-                    # TODO: retrieve IZA of the projectile
-                    iza_projectile = 1
+                    # TODO: retrieve ZA of the projectile
+                    za_projectile = 1
                     a_i = [kalbach_slope(energy_projectile=energy[i],
                                          energy_emitted=e,
-                                         iza_projectile=iza_projectile,
-                                         iza_emitted=iza_emitted,
-                                         iza_target=iza_target)
+                                         za_projectile=za_projectile,
+                                         za_emitted=za_emitted,
+                                         za_target=za_target)
                            for e in eout_i]
                     calculated_slope.append(True)
 
diff --git a/tests/unit_tests/test_data_kalbach_mann.py b/tests/unit_tests/test_data_kalbach_mann.py
index 27890dacd..36282f7c5 100644
--- a/tests/unit_tests/test_data_kalbach_mann.py
+++ b/tests/unit_tests/test_data_kalbach_mann.py
@@ -52,8 +52,8 @@ def na23():
 
 def test_atomic_representation(neutron, triton, b10, c12, c13, na23):
     """Test the AtomicRepresentation class."""
-    # Test instanciation from_iza
-    assert b10 == AtomicRepresentation.from_iza(5010)
+    # Test instantiation from_za
+    assert b10 == AtomicRepresentation.from_za(5010)
 
     # Test addition
     assert c13 + b10 == na23
@@ -66,13 +66,13 @@ def test_atomic_representation(neutron, triton, b10, c12, c13, na23):
     assert c13.a == 13
     assert c13.z == 6
     assert c13.n == 7
-    assert c13.iza == 6013
+    assert c13.za == 6013
 
     # Test properties when information for Kalbach-Mann are given
     assert triton.a == 3
     assert triton.z == 1
     assert triton.n == 2
-    assert triton.iza == 1003
+    assert triton.za == 1003
 
     # Test instanciation errors
     with pytest.raises(IOError):
@@ -107,17 +107,17 @@ def test_kalbach_slope():
         kalbach_slope(
             energy_projectile=energy_projectile,
             energy_emitted=energy_emitted,
-            iza_projectile=1000,
-            iza_emitted=1,
-            iza_target=6012
+            za_projectile=1000,
+            za_emitted=1,
+            za_target=6012
         )
 
     assert kalbach_slope(
         energy_projectile=energy_projectile,
         energy_emitted=energy_emitted,
-        iza_projectile=1,
-        iza_emitted=1003,
-        iza_target=6012
+        za_projectile=1,
+        za_emitted=1003,
+        za_target=6012
     ) == pytest.approx(0.8409921475)
 
 

From aa233c80ddcec7df01c4883c3e54f11465e9a4e3 Mon Sep 17 00:00:00 2001
From: yardasol <45364492+yardasol@users.noreply.github.com>
Date: Thu, 7 Apr 2022 11:15:25 -0500
Subject: [PATCH 0210/2654] fix typo in new unit test

---
 tests/unit_tests/test_surface_composite.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/tests/unit_tests/test_surface_composite.py b/tests/unit_tests/test_surface_composite.py
index 0b1943137..14a7c8d3d 100644
--- a/tests/unit_tests/test_surface_composite.py
+++ b/tests/unit_tests/test_surface_composite.py
@@ -220,7 +220,7 @@ def test_isogonal_octagon(axis, plane_tb, plane_lr, axis_idx):
     # Check invalid r1, r2 combinations
     with pytest.raises(ValueError):
         openmc.model.IsogonalOctagon(center, r1=1.0, r2=10.)
-    with pytest.rasies(ValueError):
+    with pytest.raises(ValueError):
         openmc.model.IsogonalOctagon(center, r1=10., r2=1.)
 
     # Make sure repr works

From e341c20822b2cdadde9960b420ad619fa30eb2c7 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Thu, 7 Apr 2022 11:36:04 -0500
Subject: [PATCH 0211/2654] pep8, consistency changes

---
 openmc/model/surface_composite.py | 20 ++++++++++----------
 1 file changed, 10 insertions(+), 10 deletions(-)

diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index 03595ff4b..7106730a8 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -1,7 +1,7 @@
 from abc import ABC, abstractmethod
 from copy import copy
 from math import sqrt, pi, sin, cos
-from numpy import array
+import numpy as np
 
 import openmc
 from openmc.checkvalue import check_greater_than, check_value
@@ -72,16 +72,16 @@ class CylinderSector(CompositeSurface):
         axis (+y, +z, or +x).
     theta : float
         Angular width of the sector in degrees.
-    axis : {'z', 'y', 'x'}
-        Central axis of the cylinders. Defaults to z
+    axis : {'x', 'y', 'z'}
+        Central axis of the cylinders. Defaults to 'z'.
     **kwargs
-        Keyword arguments passed to underlying plane classes
+        Keyword arguments passed to underlying plane classes.
 
     Attributes
     ----------
-    outer : openmc.ZCylinder, openmc.YCylinder, or openmc.XCylinder
+    outer_cyl : openmc.ZCylinder, openmc.YCylinder, or openmc.XCylinder
         Outer cylinder surface
-    inner : openmc.ZCylinder, openmc.YCylinder, or openmc.XCylinder
+    inner_cyl : openmc.ZCylinder, openmc.YCylinder, or openmc.XCylinder
         Inner cylinder surface
     plane0 : openmc.Plane
         Plane at angle :math:`\theta_0` relative to the first basis axis
@@ -100,7 +100,7 @@ class CylinderSector(CompositeSurface):
         theta1 = theta0 + theta
 
         # Coords for axis-perpendicular planes
-        p1 = array([0.,0.,1.])
+        p1 = array([0., 0., 1.])
 
         p2_plane0 = array([r1 * cos(theta0), r1 * sin(theta0), 0.])
         p3_plane0 = array([r2 * cos(theta0), r2 * sin(theta0), 0.])
@@ -110,15 +110,15 @@ class CylinderSector(CompositeSurface):
 
         points = [p1, p2_plane0, p3_plane0, p2_plane1, p3_plane1]
         if axis == 'z':
-            coord_map = [0,1,2]
+            coord_map = [0, 1, 2]
             self.inner_cyl = openmc.ZCylinder(*center, r1, **kwargs)
             self.outer_cyl = openmc.ZCylinder(*center, r2, **kwargs)
         elif axis == 'y':
-            coord_map = [1,2,0]
+            coord_map = [1, 2, 0]
             self.inner_cyl = openmc.YCylinder(*center, r1, **kwargs)
             self.outer_cyl = openmc.YCylinder(*center, r2, **kwargs)
         elif axis == 'x':
-            coord_map = [2,0,1]
+            coord_map = [2, 0, 1]
             self.inner_cyl = openmc.XCylinder(*center, r1, **kwargs)
             self.outer_cyl = openmc.XCylinder(*center, r2, **kwargs)
 

From 3340673dc58363e68d36c4f293698f48254dfe1a Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Thu, 7 Apr 2022 12:42:56 -0500
Subject: [PATCH 0212/2654] fix array syntax

---
 openmc/model/surface_composite.py | 10 +++++-----
 1 file changed, 5 insertions(+), 5 deletions(-)

diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index 7106730a8..c82200128 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -100,13 +100,13 @@ class CylinderSector(CompositeSurface):
         theta1 = theta0 + theta
 
         # Coords for axis-perpendicular planes
-        p1 = array([0., 0., 1.])
+        p1 = np.array([0., 0., 1.])
 
-        p2_plane0 = array([r1 * cos(theta0), r1 * sin(theta0), 0.])
-        p3_plane0 = array([r2 * cos(theta0), r2 * sin(theta0), 0.])
+        p2_plane0 = np.array([r1 * cos(theta0), r1 * sin(theta0), 0.])
+        p3_plane0 = np.array([r2 * cos(theta0), r2 * sin(theta0), 0.])
 
-        p2_plane1 = array([r1 * cos(theta1), r1 * sin(theta1), 0.])
-        p3_plane1 = array([r2 * cos(theta1), r2 * sin(theta1), 0.])
+        p2_plane1 = np.array([r1 * cos(theta1), r1 * sin(theta1), 0.])
+        p3_plane1 = np.array([r2 * cos(theta1), r2 * sin(theta1), 0.])
 
         points = [p1, p2_plane0, p3_plane0, p2_plane1, p3_plane1]
         if axis == 'z':

From 751d09836c5d0710552073f265694e14c8599a32 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 7 Apr 2022 13:20:56 -0500
Subject: [PATCH 0213/2654] Make 'a' and 'z' properties read-only

---
 openmc/data/kalbach_mann.py                | 52 ++++------------------
 tests/unit_tests/test_data_kalbach_mann.py |  8 ++--
 2 files changed, 13 insertions(+), 47 deletions(-)

diff --git a/openmc/data/kalbach_mann.py b/openmc/data/kalbach_mann.py
index 8d1a5c2e1..4c6b89e41 100644
--- a/openmc/data/kalbach_mann.py
+++ b/openmc/data/kalbach_mann.py
@@ -43,11 +43,17 @@ class AtomicRepresentation(EqualityMixin):
 
     """
     def __init__(self, z, a):
-        self._consistency_check(z, a)
+        # Sanity checks on values
+        cv.check_type('z', z, Integral)
+        cv.check_greater_than('z', z, 0, equality=True)
+        cv.check_type('a', a, Integral)
+        cv.check_greater_than('a', a, 0, equality=True)
+        if z > a:
+            raise ValueError(f"Number of protons ({z}) must be less than or "
+                             f"equal to number of nucleons ({a}).")
+
         self._z = z
         self._a = a
-        self.z = self._z
-        self.a = self._a
 
     def __add__(self, other):
         """Adds two AtomicRepresentations.
@@ -67,12 +73,10 @@ class AtomicRepresentation(EqualityMixin):
 
     @property
     def a(self):
-        self._consistency_check(self._z, self._a)
         return self._a
 
     @property
     def z(self):
-        self._consistency_check(self._z, self._a)
         return self._z
 
     @property
@@ -83,44 +87,6 @@ class AtomicRepresentation(EqualityMixin):
     def za(self):
         return self.z * 1000 + self.a
 
-    @a.setter
-    def a(self, an):
-        cv.check_type('a', an, Integral)
-        cv.check_greater_than('a', an, 0, equality=True)
-        self._consistency_check(self._z, an)
-        self._a = an
-
-    @z.setter
-    def z(self, zn):
-        cv.check_type('z', zn, Integral)
-        cv.check_greater_than('z', zn, 0, equality=True)
-        self._consistency_check(zn, self._a)
-        self._z = zn
-
-    @staticmethod
-    def _consistency_check(z, a):
-        """Simple consistency check.
-
-        Parameters
-        ----------
-        z : int
-            Number of protons (atomic number)
-        a : int
-            Number of nucleons (mass number)
-
-        Raises
-        ------
-        IOError:
-            When the number of protons (z) declared is higher than the number
-            of nucleons (a)
-
-        """
-        if z > a:
-            raise IOError(
-                "Number of protons (%i) incompatible with number of "
-                "nucleons (%i)" % (z, a)
-            )
-
     @classmethod
     def from_za(cls, za):
         """Instantiates an AtomicRepresentation from a ZA identifier.
diff --git a/tests/unit_tests/test_data_kalbach_mann.py b/tests/unit_tests/test_data_kalbach_mann.py
index 36282f7c5..bd540addb 100644
--- a/tests/unit_tests/test_data_kalbach_mann.py
+++ b/tests/unit_tests/test_data_kalbach_mann.py
@@ -75,15 +75,15 @@ def test_atomic_representation(neutron, triton, b10, c12, c13, na23):
     assert triton.za == 1003
 
     # Test instanciation errors
-    with pytest.raises(IOError):
+    with pytest.raises(ValueError):
         AtomicRepresentation(z=5, a=1)
     with pytest.raises(ValueError):
         AtomicRepresentation(z=-1, a=1)
-    with pytest.raises(IOError):
+    with pytest.raises(ValueError):
         AtomicRepresentation(z=5, a=0)
-    with pytest.raises(IOError):
+    with pytest.raises(ValueError):
         AtomicRepresentation(z=5, a=-2)
-    with pytest.raises(OSError):
+    with pytest.raises(ValueError):
         neutron - triton
 
 

From e505032a4f2352d35aeb61e2b820fa2236367784 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 7 Apr 2022 13:23:12 -0500
Subject: [PATCH 0214/2654] Add punctuation on docstrings

---
 openmc/model/model.py | 2 +-
 openmc/universe.py    | 2 +-
 2 files changed, 2 insertions(+), 2 deletions(-)

diff --git a/openmc/model/model.py b/openmc/model/model.py
index 3c94548fc..52c52154e 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -405,7 +405,7 @@ class Model:
             will be created.
         remove_surfs : bool
             Whether or not to remove redundant surfaces from the geometry when
-            exporting
+            exporting.
 
             .. versionadded:: 0.13.1
         """
diff --git a/openmc/universe.py b/openmc/universe.py
index 6604771cb..5b8c2bc8a 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -297,7 +297,7 @@ class Universe(UniverseBase):
         seed : int
             Seed for the random number generator
         openmc_exec : str
-            Path to OpenMC executable
+            Path to OpenMC executable.
 
             .. versionadded:: 0.13.1
         **kwargs

From d08f2afa1c3bbc0cb3019523d07eba69bae60c82 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Thu, 7 Apr 2022 13:32:58 -0500
Subject: [PATCH 0215/2654] docstring typo fixes

---
 openmc/model/surface_composite.py | 10 ++++++----
 1 file changed, 6 insertions(+), 4 deletions(-)

diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index c82200128..ec4143912 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -65,8 +65,10 @@ class CylinderSector(CompositeSurface):
     center : iterable of float
          Coordinate for central axes of cylinders in the (y, z), (z, x), or
          (x, y) basis. Defaults to (0,0)
-    r1, r2 : float
-        Inner and outer cylinder radii
+    r1 : float
+        Inner cylinder radii
+    r2 : float
+        Outer cylinder radii
     theta0 : float
         Angular offset of the sector in degrees relative to the primary basis
         axis (+y, +z, or +x).
@@ -84,9 +86,9 @@ class CylinderSector(CompositeSurface):
     inner_cyl : openmc.ZCylinder, openmc.YCylinder, or openmc.XCylinder
         Inner cylinder surface
     plane0 : openmc.Plane
-        Plane at angle :math:`\theta_0` relative to the first basis axis
+        Plane at angle :math:`\\theta_0` relative to the first basis axis
     plane1 : openmc.Plane
-        Plane at angle :math:`\theta_0 + \theta` relative to the first
+        Plane at angle :math:`\\theta_0 + \\theta` relative to the first
         basis axis.
 
     """

From 8e1880b01cb0039272eb063c9f82a501d3ee8d18 Mon Sep 17 00:00:00 2001
From: yardasol <oyardas2@illinois.edu>
Date: Thu, 7 Apr 2022 19:00:57 -0500
Subject: [PATCH 0216/2654] formatting fixes

---
 openmc/model/surface_composite.py          |  9 ++++-----
 tests/unit_tests/test_surface_composite.py | 10 ++++++----
 2 files changed, 10 insertions(+), 9 deletions(-)

diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index 70cdb33e1..e1696edce 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -58,10 +58,10 @@ class CylinderSector(CompositeSurface):
     This class acts as a proper surface, meaning that unary `+` and `-`
     operators applied to it will produce a half-space. The negative
     side is defined to be the region inside of the cylinder sector.
-     
+
     Parameters
     ----------
-    center : iterable of float   
+    center : iterable of float
        Coordinate for central axes of cylinders in the (y, z), (z, x), or
          (x, y) basis. Defaults to (0,0)
     r1 : float
@@ -136,8 +136,8 @@ class CylinderSector(CompositeSurface):
 
     def __pos__(self):
         return +self.outer_cyl | -self.inner_cyl | +self.plane0 | -self.plane1
-      
-      
+
+
 class IsogonalOctagon(CompositeSurface):
     """Infinite isogonal octagon composite surface
 
@@ -155,7 +155,6 @@ class IsogonalOctagon(CompositeSurface):
     Parameters
     ----------
     center : iterable of float
-
         Coordinate for the central axis of the octagon in the
         (y, z), (z, x), or (x, y) basis.
     r1 : float
diff --git a/tests/unit_tests/test_surface_composite.py b/tests/unit_tests/test_surface_composite.py
index f7dbeca4e..6b9b6c7a5 100644
--- a/tests/unit_tests/test_surface_composite.py
+++ b/tests/unit_tests/test_surface_composite.py
@@ -171,7 +171,7 @@ def test_cylinder_sector(axis, indices):
     assert isinstance(s.inner_cyl, getattr(openmc, axis + "Cylinder"))
     assert isinstance(s.plane0, openmc.Plane)
     assert isinstance(s.plane1, openmc.Plane)
-    
+
     # Make sure boundary condition propagates
     s.boundary_type = 'reflective'
     assert s.boundary_type == 'reflective'
@@ -179,7 +179,7 @@ def test_cylinder_sector(axis, indices):
     assert s.inner_cyl.boundary_type == 'reflective'
     assert s.plane0.boundary_type == 'reflective'
     assert s.plane1.boundary_type == 'reflective'
-    
+
     # Check bounding box
     ll, ur = (+s).bounding_box
     assert np.all(np.isinf(ll))
@@ -237,7 +237,7 @@ def test_isogonal_octagon(axis, plane_tb, plane_lr, axis_idx):
     assert isinstance(s.lower_right, openmc.Plane)
     assert isinstance(s.upper_left, openmc.Plane)
     assert isinstance(s.lower_left, openmc.Plane)
-    
+
     # Make sure boundary condition propagates
     s.boundary_type = 'reflective'
     assert s.boundary_type == 'reflective'
@@ -285,4 +285,6 @@ def test_isogonal_octagon(axis, plane_tb, plane_lr, axis_idx):
         openmc.model.IsogonalOctagon(center, r1=10., r2=1.)
 
     # Make sure repr works
-    repr(s)
\ No newline at end of file
+    repr(s)
+
+

From e53be38712630b684019469cafd25497716ece48 Mon Sep 17 00:00:00 2001
From: yardasol <oyardas2@illinois.edu>
Date: Thu, 7 Apr 2022 19:01:09 -0500
Subject: [PATCH 0217/2654] pep8 fixes

---
 openmc/model/surface_composite.py          | 9 +++++----
 tests/unit_tests/test_surface_composite.py | 5 ++---
 2 files changed, 7 insertions(+), 7 deletions(-)

diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index e1696edce..e3ac7e345 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -6,6 +6,7 @@ import numpy as np
 import openmc
 from openmc.checkvalue import check_greater_than, check_value
 
+
 class CompositeSurface(ABC):
     """Multiple primitive surfaces combined into a composite surface"""
 
@@ -92,7 +93,7 @@ class CylinderSector(CompositeSurface):
 
     """
 
-    _surface_names = ('outer_cyl','inner_cyl',
+    _surface_names = ('outer_cyl', 'inner_cyl',
                       'plane0', 'plane1')
 
     def __init__(self, center, r1, r2, theta0, theta, axis='z', **kwargs):
@@ -132,7 +133,7 @@ class CylinderSector(CompositeSurface):
                                                **kwargs)
 
     def __neg__(self):
-        return -self.outer_cyl & +self.inner_cyl & -self.plane0 &  +self.plane1
+        return -self.outer_cyl & +self.inner_cyl & -self.plane0 & +self.plane1
 
     def __pos__(self):
         return +self.outer_cyl | -self.inner_cyl | +self.plane0 | -self.plane1
@@ -206,10 +207,10 @@ class IsogonalOctagon(CompositeSurface):
 
         # Side lengths
         if r2 > r1 * sqrt(2):
-            raise ValueError(f'r2 is greater than sqrt(2) * r1. Octagon' + \
+            raise ValueError(f'r2 is greater than sqrt(2) * r1. Octagon' +
                              ' may be erroneous.')
         if r1 > r2 * sqrt(2):
-            raise ValueError(f'r1 is greater than sqrt(2) * r2. Octagon' + \
+            raise ValueError(f'r1 is greater than sqrt(2) * r2. Octagon' +
                              ' may be erroneous.')
 
         L_basis_ax = (r2 * sqrt(2) - r1)
diff --git a/tests/unit_tests/test_surface_composite.py b/tests/unit_tests/test_surface_composite.py
index 6b9b6c7a5..7985a2aae 100644
--- a/tests/unit_tests/test_surface_composite.py
+++ b/tests/unit_tests/test_surface_composite.py
@@ -12,7 +12,8 @@ def test_rectangular_parallelepiped():
     ymax = ymin + uniform(0., 5.)
     zmin = uniform(-5., 5.)
     zmax = zmin + uniform(0., 5.)
-    s = openmc.model.RectangularParallelepiped(xmin, xmax, ymin, ymax, zmin, zmax)
+    s = openmc.model.RectangularParallelepiped(
+        xmin, xmax, ymin, ymax, zmin, zmax)
     assert isinstance(s.xmin, openmc.XPlane)
     assert isinstance(s.xmax, openmc.XPlane)
     assert isinstance(s.ymin, openmc.YPlane)
@@ -286,5 +287,3 @@ def test_isogonal_octagon(axis, plane_tb, plane_lr, axis_idx):
 
     # Make sure repr works
     repr(s)
-
-

From 827343c52b69e01263a782c0c4fca7227006f317 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 19 Apr 2022 06:51:02 -0500
Subject: [PATCH 0218/2654] Fix colors assignment in Universe.plot

---
 openmc/universe.py | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/openmc/universe.py b/openmc/universe.py
index 5b8c2bc8a..f3f95aebb 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -337,7 +337,8 @@ class Universe(UniverseBase):
             plot.pixels = pixels
             plot.basis = basis
             plot.color_by = color_by
-            plot.colors = colors
+            if colors is not None:
+                plot.colors = colors
             model.plots.append(plot)
 
             # Run OpenMC in geometry plotting mode

From be61af3c0456826f44b109d45e49846764bff48e Mon Sep 17 00:00:00 2001
From: helen-brooks <helen.brooks@ukaea.uk>
Date: Thu, 7 Apr 2022 15:34:10 +0100
Subject: [PATCH 0219/2654] Refactor dagmc initialisation into a function

---
 include/openmc/dagmc.h |  4 ++
 src/dagmc.cpp          | 92 ++++++++++++++++++++++--------------------
 2 files changed, 53 insertions(+), 43 deletions(-)

diff --git a/include/openmc/dagmc.h b/include/openmc/dagmc.h
index 64bf4d209..887810fd3 100644
--- a/include/openmc/dagmc.h
+++ b/include/openmc/dagmc.h
@@ -22,6 +22,7 @@ void check_dagmc_root_univ();
 #ifdef DAGMC
 
 #include "DagMC.hpp"
+#include "dagmcmetadata.hpp"
 
 #include "openmc/cell.h"
 #include "openmc/particle.h"
@@ -139,10 +140,13 @@ public:
   bool has_graveyard() const { return has_graveyard_; }
 
 private:
+  void init_dagmc();
+
   std::string
     filename_; //!< Name of the DAGMC file used to create this universe
   std::shared_ptr<UWUW>
     uwuw_;                   //!< Pointer to the UWUW instance for this universe
+  std::unique_ptr<dagmcMetaData> dmd_ptr; //! Pointer to DAGMC metadata object
   bool adjust_geometry_ids_; //!< Indicates whether or not to automatically
                              //!< generate new cell and surface IDs for the
                              //!< universe
diff --git a/src/dagmc.cpp b/src/dagmc.cpp
index 9b894d3bb..5b6d17e37 100644
--- a/src/dagmc.cpp
+++ b/src/dagmc.cpp
@@ -12,7 +12,6 @@
 #include "openmc/string_utils.h"
 
 #ifdef DAGMC
-#include "dagmcmetadata.hpp"
 #include "uwuw.hpp"
 #endif
 #include <fmt/core.h>
@@ -89,7 +88,7 @@ DAGUniverse::DAGUniverse(
 void DAGUniverse::initialize()
 {
   geom_type() = GeometryType::DAG;
-
+  
   // determine the next cell id
   int32_t next_cell_id = 0;
   for (const auto& c : model::cells) {
@@ -108,45 +107,10 @@ void DAGUniverse::initialize()
   surf_idx_offset_ = model::surfaces.size();
   next_surf_id++;
 
-  // create a new DAGMC instance
-  dagmc_instance_ = std::make_shared<moab::DagMC>();
-
-  // --- Materials ---
-
-  // read any UWUW materials from the file
-  read_uwuw_materials();
-
-  // check for uwuw material definitions
-  bool using_uwuw = uses_uwuw();
-
-  // notify user if UWUW materials are going to be used
-  if (using_uwuw) {
-    write_message("Found UWUW Materials in the DAGMC geometry file.", 6);
-  }
-
-  // load the DAGMC geometry
-  filename_ = settings::path_input + filename_;
-  if (!file_exists(filename_)) {
-    fatal_error("Geometry DAGMC file '" + filename_ + "' does not exist!");
-  }
-  moab::ErrorCode rval = dagmc_instance_->load_file(filename_.c_str());
-  MB_CHK_ERR_CONT(rval);
-
-  // initialize acceleration data structures
-  rval = dagmc_instance_->init_OBBTree();
-  MB_CHK_ERR_CONT(rval);
-
-  // parse model metadata
-  dagmcMetaData DMD(dagmc_instance_.get(), false, false);
-  DMD.load_property_data();
-
-  std::vector<std::string> keywords {"temp"};
-  std::map<std::string, std::string> dum;
-  std::string delimiters = ":/";
-  rval = dagmc_instance_->parse_properties(keywords, dum, delimiters.c_str());
-  MB_CHK_ERR_CONT(rval);
+  init_dagmc();
 
   // --- Cells (Volumes) ---
+  moab::ErrorCode rval;
 
   // initialize cell objects
   int n_cells = dagmc_instance_->num_entities(3);
@@ -175,7 +139,7 @@ void DAGUniverse::initialize()
     // --- Materials ---
 
     // determine volume material assignment
-    std::string mat_str = DMD.get_volume_property("material", vol_handle);
+    std::string mat_str = dmd_ptr->get_volume_property("material", vol_handle);
 
     if (mat_str.empty()) {
       fatal_error(fmt::format("Volume {} has no material assignment.", c->id_));
@@ -191,9 +155,9 @@ void DAGUniverse::initialize()
     if (mat_str == "void" || mat_str == "vacuum" || mat_str == "graveyard") {
       c->material_.push_back(MATERIAL_VOID);
     } else {
-      if (using_uwuw) {
+      if (uses_uwuw()) {
         // lookup material in uwuw if present
-        std::string uwuw_mat = DMD.volume_material_property_data_eh[vol_handle];
+        std::string uwuw_mat = dmd_ptr->volume_material_property_data_eh[vol_handle];
         if (uwuw_->material_library.count(uwuw_mat) != 0) {
           // Note: material numbers are set by UWUW
           int mat_number = uwuw_->material_library.get_material(uwuw_mat)
@@ -256,7 +220,7 @@ void DAGUniverse::initialize()
                                   : dagmc_instance_->id_by_index(2, i + 1);
 
     // set BCs
-    std::string bc_value = DMD.get_surface_property("boundary", surf_handle);
+    std::string bc_value = dmd_ptr->get_surface_property("boundary", surf_handle);
     to_lower(bc_value);
     if (bc_value.empty() || bc_value == "transmit" ||
         bc_value == "transmission") {
@@ -302,6 +266,48 @@ void DAGUniverse::initialize()
   } // end surface loop
 }
 
+void DAGUniverse::init_dagmc()
+{
+
+  // create a new DAGMC instance
+  dagmc_instance_ = std::make_shared<moab::DagMC>();
+
+  // --- Materials ---
+
+  // read any UWUW materials from the file
+  read_uwuw_materials();
+
+  // check for uwuw material definitions
+  bool using_uwuw = uses_uwuw();
+
+  // notify user if UWUW materials are going to be used
+  if (using_uwuw) {
+    write_message("Found UWUW Materials in the DAGMC geometry file.", 6);
+  }
+
+  // load the DAGMC geometry
+  filename_ = settings::path_input + filename_;
+  if (!file_exists(filename_)) {
+    fatal_error("Geometry DAGMC file '" + filename_ + "' does not exist!");
+  }
+  moab::ErrorCode rval = dagmc_instance_->load_file(filename_.c_str());
+  MB_CHK_ERR_CONT(rval);
+
+  // initialize acceleration data structures
+  rval = dagmc_instance_->init_OBBTree();
+  MB_CHK_ERR_CONT(rval);
+
+  // parse model metadata
+  dmd_ptr = std::make_unique<dagmcMetaData>(dagmc_instance_.get(), false, false);
+  dmd_ptr->load_property_data();
+
+  std::vector<std::string> keywords {"temp"};
+  std::map<std::string, std::string> dum;
+  std::string delimiters = ":/";
+  rval = dagmc_instance_->parse_properties(keywords, dum, delimiters.c_str());
+  MB_CHK_ERR_CONT(rval);
+}
+
 std::string DAGUniverse::dagmc_ids_for_dim(int dim) const
 {
   // generate a vector of ids

From 290e2fba075eac057a0a1c07b00622e3c2e0ef12 Mon Sep 17 00:00:00 2001
From: helen-brooks <helen.brooks@ukaea.uk>
Date: Thu, 7 Apr 2022 16:04:00 +0100
Subject: [PATCH 0220/2654] Refactor initialize of dagmc universe

---
 include/openmc/dagmc.h |   3 +
 src/dagmc.cpp          | 128 ++++++++++++++++++++++-------------------
 2 files changed, 73 insertions(+), 58 deletions(-)

diff --git a/include/openmc/dagmc.h b/include/openmc/dagmc.h
index 887810fd3..8b26b6224 100644
--- a/include/openmc/dagmc.h
+++ b/include/openmc/dagmc.h
@@ -141,6 +141,8 @@ public:
 
 private:
   void init_dagmc();
+  void init_cells();
+  void init_surfaces();
 
   std::string
     filename_; //!< Name of the DAGMC file used to create this universe
@@ -154,6 +156,7 @@ private:
                              //!< generate new material IDs for the universe
   bool has_graveyard_; //!< Indicates if the DAGMC geometry has a "graveyard"
                        //!< volume
+  moab::EntityHandle graveyard; //! MOAB index for graveyard
 };
 
 //==============================================================================
diff --git a/src/dagmc.cpp b/src/dagmc.cpp
index 5b6d17e37..c28b0ec9a 100644
--- a/src/dagmc.cpp
+++ b/src/dagmc.cpp
@@ -88,7 +88,60 @@ DAGUniverse::DAGUniverse(
 void DAGUniverse::initialize()
 {
   geom_type() = GeometryType::DAG;
-  
+
+  init_dagmc();
+
+  init_cells();
+
+  init_surfaces();
+}
+
+void DAGUniverse::init_dagmc()
+{
+
+  // create a new DAGMC instance
+  dagmc_instance_ = std::make_shared<moab::DagMC>();
+
+  // --- Materials ---
+
+  // read any UWUW materials from the file
+  read_uwuw_materials();
+
+  // check for uwuw material definitions
+  bool using_uwuw = uses_uwuw();
+
+  // notify user if UWUW materials are going to be used
+  if (using_uwuw) {
+    write_message("Found UWUW Materials in the DAGMC geometry file.", 6);
+  }
+
+  // load the DAGMC geometry
+  filename_ = settings::path_input + filename_;
+  if (!file_exists(filename_)) {
+    fatal_error("Geometry DAGMC file '" + filename_ + "' does not exist!");
+  }
+  moab::ErrorCode rval = dagmc_instance_->load_file(filename_.c_str());
+  MB_CHK_ERR_CONT(rval);
+
+  // initialize acceleration data structures
+  rval = dagmc_instance_->init_OBBTree();
+  MB_CHK_ERR_CONT(rval);
+
+  // parse model metadata
+  dmd_ptr = std::make_unique<dagmcMetaData>(dagmc_instance_.get(), false, false);
+  dmd_ptr->load_property_data();
+
+  std::vector<std::string> keywords {"temp"};
+  std::map<std::string, std::string> dum;
+  std::string delimiters = ":/";
+  rval = dagmc_instance_->parse_properties(keywords, dum, delimiters.c_str());
+  MB_CHK_ERR_CONT(rval);
+}
+
+void DAGUniverse::init_cells()
+{
+  moab::ErrorCode rval;
+
   // determine the next cell id
   int32_t next_cell_id = 0;
   for (const auto& c : model::cells) {
@@ -98,23 +151,9 @@ void DAGUniverse::initialize()
   cell_idx_offset_ = model::cells.size();
   next_cell_id++;
 
-  // determine the next surface id
-  int32_t next_surf_id = 0;
-  for (const auto& s : model::surfaces) {
-    if (s->id_ > next_surf_id)
-      next_surf_id = s->id_;
-  }
-  surf_idx_offset_ = model::surfaces.size();
-  next_surf_id++;
-
-  init_dagmc();
-
-  // --- Cells (Volumes) ---
-  moab::ErrorCode rval;
-
   // initialize cell objects
   int n_cells = dagmc_instance_->num_entities(3);
-  moab::EntityHandle graveyard = 0;
+  graveyard = 0;
   for (int i = 0; i < n_cells; i++) {
     moab::EntityHandle vol_handle = dagmc_instance_->entity_by_index(3, i + 1);
 
@@ -207,7 +246,20 @@ void DAGUniverse::initialize()
 
   has_graveyard_ = graveyard;
 
-  // --- Surfaces ---
+}
+
+void DAGUniverse::init_surfaces()
+{
+  moab::ErrorCode rval;
+
+  // determine the next surface id
+  int32_t next_surf_id = 0;
+  for (const auto& s : model::surfaces) {
+    if (s->id_ > next_surf_id)
+      next_surf_id = s->id_;
+  }
+  surf_idx_offset_ = model::surfaces.size();
+  next_surf_id++;
 
   // initialize surface objects
   int n_surfaces = dagmc_instance_->num_entities(2);
@@ -264,49 +316,9 @@ void DAGUniverse::initialize()
 
     model::surfaces.emplace_back(std::move(s));
   } // end surface loop
+
 }
 
-void DAGUniverse::init_dagmc()
-{
-
-  // create a new DAGMC instance
-  dagmc_instance_ = std::make_shared<moab::DagMC>();
-
-  // --- Materials ---
-
-  // read any UWUW materials from the file
-  read_uwuw_materials();
-
-  // check for uwuw material definitions
-  bool using_uwuw = uses_uwuw();
-
-  // notify user if UWUW materials are going to be used
-  if (using_uwuw) {
-    write_message("Found UWUW Materials in the DAGMC geometry file.", 6);
-  }
-
-  // load the DAGMC geometry
-  filename_ = settings::path_input + filename_;
-  if (!file_exists(filename_)) {
-    fatal_error("Geometry DAGMC file '" + filename_ + "' does not exist!");
-  }
-  moab::ErrorCode rval = dagmc_instance_->load_file(filename_.c_str());
-  MB_CHK_ERR_CONT(rval);
-
-  // initialize acceleration data structures
-  rval = dagmc_instance_->init_OBBTree();
-  MB_CHK_ERR_CONT(rval);
-
-  // parse model metadata
-  dmd_ptr = std::make_unique<dagmcMetaData>(dagmc_instance_.get(), false, false);
-  dmd_ptr->load_property_data();
-
-  std::vector<std::string> keywords {"temp"};
-  std::map<std::string, std::string> dum;
-  std::string delimiters = ":/";
-  rval = dagmc_instance_->parse_properties(keywords, dum, delimiters.c_str());
-  MB_CHK_ERR_CONT(rval);
-}
 
 std::string DAGUniverse::dagmc_ids_for_dim(int dim) const
 {

From d3b4cb7fd3d40160b0ce6071e9c9bef380552fbc Mon Sep 17 00:00:00 2001
From: helen-brooks <helen.brooks@ukaea.uk>
Date: Fri, 8 Apr 2022 12:13:58 +0100
Subject: [PATCH 0221/2654] More refactoring in DAGUniverse

---
 include/openmc/dagmc.h |  9 +++++----
 src/dagmc.cpp          | 27 ++++++++++++---------------
 2 files changed, 17 insertions(+), 19 deletions(-)

diff --git a/include/openmc/dagmc.h b/include/openmc/dagmc.h
index 8b26b6224..1fcbb04a0 100644
--- a/include/openmc/dagmc.h
+++ b/include/openmc/dagmc.h
@@ -140,9 +140,10 @@ public:
   bool has_graveyard() const { return has_graveyard_; }
 
 private:
-  void init_dagmc();
-  void init_cells();
-  void init_surfaces();
+  void set_id();             //!< Deduce the universe id from model::universes
+  void init_dagmc();         //!< Create and initialise DAGMC pointer
+  void init_cells();         //!< Create cells from DAGMC volumes
+  void init_surfaces();      //!< Create surfaces from DAGMC surfaces
 
   std::string
     filename_; //!< Name of the DAGMC file used to create this universe
@@ -156,7 +157,7 @@ private:
                              //!< generate new material IDs for the universe
   bool has_graveyard_; //!< Indicates if the DAGMC geometry has a "graveyard"
                        //!< volume
-  moab::EntityHandle graveyard; //! MOAB index for graveyard
+  moab::EntityHandle graveyard; //!< MOAB index for graveyard
 };
 
 //==============================================================================
diff --git a/src/dagmc.cpp b/src/dagmc.cpp
index c28b0ec9a..260f58ebb 100644
--- a/src/dagmc.cpp
+++ b/src/dagmc.cpp
@@ -70,6 +70,13 @@ DAGUniverse::DAGUniverse(
   const std::string& filename, bool auto_geom_ids, bool auto_mat_ids)
   : filename_(filename), adjust_geometry_ids_(auto_geom_ids),
     adjust_material_ids_(auto_mat_ids)
+{
+  set_id();
+
+  initialize();
+}
+
+void DAGUniverse::set_id()
 {
   // determine the next universe id
   int32_t next_univ_id = 0;
@@ -81,8 +88,6 @@ DAGUniverse::DAGUniverse(
 
   // set the universe id
   id_ = next_univ_id;
-
-  initialize();
 }
 
 void DAGUniverse::initialize()
@@ -91,6 +96,8 @@ void DAGUniverse::initialize()
 
   init_dagmc();
 
+  read_uwuw_materials();
+
   init_cells();
 
   init_surfaces();
@@ -102,19 +109,6 @@ void DAGUniverse::init_dagmc()
   // create a new DAGMC instance
   dagmc_instance_ = std::make_shared<moab::DagMC>();
 
-  // --- Materials ---
-
-  // read any UWUW materials from the file
-  read_uwuw_materials();
-
-  // check for uwuw material definitions
-  bool using_uwuw = uses_uwuw();
-
-  // notify user if UWUW materials are going to be used
-  if (using_uwuw) {
-    write_message("Found UWUW Materials in the DAGMC geometry file.", 6);
-  }
-
   // load the DAGMC geometry
   filename_ = settings::path_input + filename_;
   if (!file_exists(filename_)) {
@@ -514,6 +508,9 @@ void DAGUniverse::read_uwuw_materials()
   if (mat_lib.size() == 0)
     return;
 
+  // notify user if UWUW materials are going to be used
+  write_message("Found UWUW Materials in the DAGMC geometry file.", 6);
+
   // if we're using automatic IDs, update the UWUW material metadata
   if (adjust_material_ids_) {
     for (auto& mat : uwuw_->material_library) {

From 05577e6a2e174c621145951ff6b737c25ccbda83 Mon Sep 17 00:00:00 2001
From: helen-brooks <helen.brooks@ukaea.uk>
Date: Fri, 8 Apr 2022 14:06:46 +0100
Subject: [PATCH 0222/2654] Add new DAGUniverse constructor from external DAGMC

---
 include/openmc/dagmc.h | 5 +++++
 src/dagmc.cpp          | 8 ++++++++
 2 files changed, 13 insertions(+)

diff --git a/include/openmc/dagmc.h b/include/openmc/dagmc.h
index 1fcbb04a0..959ed7149 100644
--- a/include/openmc/dagmc.h
+++ b/include/openmc/dagmc.h
@@ -88,6 +88,11 @@ public:
   explicit DAGUniverse(const std::string& filename, bool auto_geom_ids = false,
     bool auto_mat_ids = false);
 
+  //! Alternative DAGMC universe constructor for external DAGMC
+  explicit DAGUniverse(std::shared_ptr<moab::DagMC> external_dagmc_ptr,
+                       bool auto_geom_ids = false,
+                       bool auto_mat_ids = false);
+
   //! Initialize the DAGMC accel. data structures, indices, material
   //! assignments, etc.
   void initialize();
diff --git a/src/dagmc.cpp b/src/dagmc.cpp
index 260f58ebb..d3a34ca18 100644
--- a/src/dagmc.cpp
+++ b/src/dagmc.cpp
@@ -76,6 +76,14 @@ DAGUniverse::DAGUniverse(
   initialize();
 }
 
+DAGUniverse::DAGUniverse(std::shared_ptr<moab::DagMC> external_dagmc_ptr,
+                         bool auto_geom_ids, bool auto_mat_ids)
+  : dagmc_instance_(external_dagmc_ptr), filename_(""),
+      adjust_geometry_ids_(auto_geom_ids), adjust_material_ids_(auto_mat_ids)
+{
+  set_id();
+}
+
 void DAGUniverse::set_id()
 {
   // determine the next universe id

From cc6c3ac9e69b82d120dd00cf56f23e87934e4bc5 Mon Sep 17 00:00:00 2001
From: helen-brooks <helen.brooks@ukaea.uk>
Date: Wed, 13 Apr 2022 12:58:33 +0100
Subject: [PATCH 0223/2654] More refactoring of DAGMC universe metadata; allow
 external setting of material temperature and population of universes' cells

---
 include/openmc/cell.h     |  3 +++
 include/openmc/dagmc.h    | 10 +++++++--
 include/openmc/material.h |  3 +++
 src/cell.cpp              | 23 ++++++++++++--------
 src/dagmc.cpp             | 44 +++++++++++++++++++++------------------
 5 files changed, 52 insertions(+), 31 deletions(-)

diff --git a/include/openmc/cell.h b/include/openmc/cell.h
index d975750a1..01f037586 100644
--- a/include/openmc/cell.h
+++ b/include/openmc/cell.h
@@ -300,5 +300,8 @@ struct CellInstanceHash {
 
 void read_cells(pugi::xml_node node);
 
+//!  Add cells to universes
+void populate_universes();
+
 } // namespace openmc
 #endif // OPENMC_CELL_H
diff --git a/include/openmc/dagmc.h b/include/openmc/dagmc.h
index 959ed7149..4b7a6c45d 100644
--- a/include/openmc/dagmc.h
+++ b/include/openmc/dagmc.h
@@ -90,6 +90,7 @@ public:
 
   //! Alternative DAGMC universe constructor for external DAGMC
   explicit DAGUniverse(std::shared_ptr<moab::DagMC> external_dagmc_ptr,
+                       const std::string& filename,
                        bool auto_geom_ids = false,
                        bool auto_mat_ids = false);
 
@@ -97,6 +98,13 @@ public:
   //! assignments, etc.
   void initialize();
 
+  //! When providing an external DAGMC instance, the user will need to call
+  //! these methods manually
+  void init_metadata();      //!< Create and initialise dagmcMetaData pointer
+  void init_uwuw();          //!< Create UWUW pointer
+  void init_cells();         //!< Create cells from DAGMC volumes
+  void init_surfaces();      //!< Create surfaces from DAGMC surfaces
+
   //! Reads UWUW materials and returns an ID map
   void read_uwuw_materials();
   //! Indicates whether or not UWUW materials are present
@@ -147,8 +155,6 @@ public:
 private:
   void set_id();             //!< Deduce the universe id from model::universes
   void init_dagmc();         //!< Create and initialise DAGMC pointer
-  void init_cells();         //!< Create cells from DAGMC volumes
-  void init_surfaces();      //!< Create surfaces from DAGMC surfaces
 
   std::string
     filename_; //!< Name of the DAGMC file used to create this universe
diff --git a/include/openmc/material.h b/include/openmc/material.h
index 709d20573..b251a3ca8 100644
--- a/include/openmc/material.h
+++ b/include/openmc/material.h
@@ -113,6 +113,9 @@ public:
   //! \param[in] units Units of density
   void set_density(double density, gsl::cstring_span units);
 
+  //! Set temperature of the material
+  void set_temperature(double temperature) { temperature_ = temperature; };
+
   //! Get nuclides in material
   //! \return Indices into the global nuclides vector
   gsl::span<const int> nuclides() const
diff --git a/src/cell.cpp b/src/cell.cpp
index 28be2c2cf..f9786ce3e 100644
--- a/src/cell.cpp
+++ b/src/cell.cpp
@@ -846,6 +846,20 @@ void read_cells(pugi::xml_node node)
 
   read_dagmc_universes(node);
 
+  populate_universes();
+
+  // Allocate the cell overlap count if necessary.
+  if (settings::check_overlaps) {
+    model::overlap_check_count.resize(model::cells.size(), 0);
+  }
+
+  if (model::cells.size() == 0) {
+    fatal_error("No cells were found in the geometry.xml file");
+  }
+}
+
+void populate_universes()
+{
   // Populate the Universe vector and map.
   for (int i = 0; i < model::cells.size(); i++) {
     int32_t uid = model::cells[i]->universe_;
@@ -860,15 +874,6 @@ void read_cells(pugi::xml_node node)
     }
   }
   model::universes.shrink_to_fit();
-
-  // Allocate the cell overlap count if necessary.
-  if (settings::check_overlaps) {
-    model::overlap_check_count.resize(model::cells.size(), 0);
-  }
-
-  if (model::cells.size() == 0) {
-    fatal_error("No cells were found in the geometry.xml file");
-  }
 }
 
 //==============================================================================
diff --git a/src/dagmc.cpp b/src/dagmc.cpp
index d3a34ca18..4c72779ce 100644
--- a/src/dagmc.cpp
+++ b/src/dagmc.cpp
@@ -77,8 +77,9 @@ DAGUniverse::DAGUniverse(
 }
 
 DAGUniverse::DAGUniverse(std::shared_ptr<moab::DagMC> external_dagmc_ptr,
+                         const std::string& filename,
                          bool auto_geom_ids, bool auto_mat_ids)
-  : dagmc_instance_(external_dagmc_ptr), filename_(""),
+  : dagmc_instance_(external_dagmc_ptr), filename_(filename),
       adjust_geometry_ids_(auto_geom_ids), adjust_material_ids_(auto_mat_ids)
 {
   set_id();
@@ -104,6 +105,10 @@ void DAGUniverse::initialize()
 
   init_dagmc();
 
+  init_metadata();
+
+  init_uwuw();
+
   read_uwuw_materials();
 
   init_cells();
@@ -128,7 +133,10 @@ void DAGUniverse::init_dagmc()
   // initialize acceleration data structures
   rval = dagmc_instance_->init_OBBTree();
   MB_CHK_ERR_CONT(rval);
+}
 
+void DAGUniverse::init_metadata()
+{
   // parse model metadata
   dmd_ptr = std::make_unique<dagmcMetaData>(dagmc_instance_.get(), false, false);
   dmd_ptr->load_property_data();
@@ -136,6 +144,7 @@ void DAGUniverse::init_dagmc()
   std::vector<std::string> keywords {"temp"};
   std::map<std::string, std::string> dum;
   std::string delimiters = ":/";
+  moab::ErrorCode rval;
   rval = dagmc_instance_->parse_properties(keywords, dum, delimiters.c_str());
   MB_CHK_ERR_CONT(rval);
 }
@@ -502,38 +511,33 @@ void DAGUniverse::legacy_assign_material(
   }
 }
 
+void DAGUniverse::init_uwuw()
+{
+  uwuw_ = std::make_shared<UWUW>(filename_.c_str());
+}
+
 void DAGUniverse::read_uwuw_materials()
 {
-
-  int32_t next_material_id = 0;
-  for (const auto& m : model::materials) {
-    next_material_id = std::max(m->id_, next_material_id);
-  }
-  next_material_id++;
-
-  uwuw_ = std::make_shared<UWUW>(filename_.c_str());
-  const auto& mat_lib = uwuw_->material_library;
-  if (mat_lib.size() == 0)
+  if (!uses_uwuw())
     return;
 
-  // notify user if UWUW materials are going to be used
+  // Notify user if UWUW materials are going to be used
   write_message("Found UWUW Materials in the DAGMC geometry file.", 6);
 
   // if we're using automatic IDs, update the UWUW material metadata
   if (adjust_material_ids_) {
+    int32_t next_material_id = 0;
+    for (const auto& m : model::materials) {
+      next_material_id = std::max(m->id_, next_material_id);
+    }
+    next_material_id++;
+
     for (auto& mat : uwuw_->material_library) {
       mat.second->metadata["mat_number"] = next_material_id++;
     }
   }
 
-  std::stringstream ss;
-  ss << "<?xml version=\"1.0\"?>\n";
-  ss << "<materials>\n";
-  for (auto mat : mat_lib) {
-    ss << mat.second->openmc("atom");
-  }
-  ss << "</materials>";
-  std::string mat_xml_string = ss.str();
+  std::string mat_xml_string = get_uwuw_materials_xml();
 
   // create a pugi XML document from this string
   pugi::xml_document doc;

From fb9c12bd14aff9c0d1b32ec6ab304658cdc382c1 Mon Sep 17 00:00:00 2001
From: helen-brooks <helen.brooks@ukaea.uk>
Date: Thu, 14 Apr 2022 13:08:16 +0100
Subject: [PATCH 0224/2654] Add switch to disable uwuw in DAGUniverse with
 external DAG

---
 include/openmc/dagmc.h | 1 +
 src/dagmc.cpp          | 6 +++++-
 2 files changed, 6 insertions(+), 1 deletion(-)

diff --git a/include/openmc/dagmc.h b/include/openmc/dagmc.h
index 4b7a6c45d..4c4e7f8c4 100644
--- a/include/openmc/dagmc.h
+++ b/include/openmc/dagmc.h
@@ -161,6 +161,7 @@ private:
   std::shared_ptr<UWUW>
     uwuw_;                   //!< Pointer to the UWUW instance for this universe
   std::unique_ptr<dagmcMetaData> dmd_ptr; //! Pointer to DAGMC metadata object
+  bool uwuw_disabled;        //!< Switch to disable UWUW materials
   bool adjust_geometry_ids_; //!< Indicates whether or not to automatically
                              //!< generate new cell and surface IDs for the
                              //!< universe
diff --git a/src/dagmc.cpp b/src/dagmc.cpp
index 4c72779ce..061c04f87 100644
--- a/src/dagmc.cpp
+++ b/src/dagmc.cpp
@@ -83,6 +83,7 @@ DAGUniverse::DAGUniverse(std::shared_ptr<moab::DagMC> external_dagmc_ptr,
       adjust_geometry_ids_(auto_geom_ids), adjust_material_ids_(auto_mat_ids)
 {
   set_id();
+  uwuw_disabled = (filename=="");
 }
 
 void DAGUniverse::set_id()
@@ -102,6 +103,7 @@ void DAGUniverse::set_id()
 void DAGUniverse::initialize()
 {
   geom_type() = GeometryType::DAG;
+  uwuw_disabled = false;
 
   init_dagmc();
 
@@ -424,7 +426,8 @@ void DAGUniverse::to_hdf5(hid_t universes_group) const
 
 bool DAGUniverse::uses_uwuw() const
 {
-  return !uwuw_->material_library.empty();
+  if (uwuw_disabled) return false;
+  else return !uwuw_->material_library.empty();
 }
 
 std::string DAGUniverse::get_uwuw_materials_xml() const
@@ -513,6 +516,7 @@ void DAGUniverse::legacy_assign_material(
 
 void DAGUniverse::init_uwuw()
 {
+  if (uwuw_disabled) return;
   uwuw_ = std::make_shared<UWUW>(filename_.c_str());
 }
 

From 5dd6da91c5ce40894877fc216d664838f77d5c33 Mon Sep 17 00:00:00 2001
From: helen-brooks <helen.brooks@ukaea.uk>
Date: Tue, 19 Apr 2022 15:50:34 +0100
Subject: [PATCH 0225/2654] Only expose methods that are needed externally

---
 include/openmc/dagmc.h | 10 ++--------
 src/dagmc.cpp          | 33 ++++++++++++---------------------
 2 files changed, 14 insertions(+), 29 deletions(-)

diff --git a/include/openmc/dagmc.h b/include/openmc/dagmc.h
index 4c4e7f8c4..2fa0919e5 100644
--- a/include/openmc/dagmc.h
+++ b/include/openmc/dagmc.h
@@ -98,13 +98,6 @@ public:
   //! assignments, etc.
   void initialize();
 
-  //! When providing an external DAGMC instance, the user will need to call
-  //! these methods manually
-  void init_metadata();      //!< Create and initialise dagmcMetaData pointer
-  void init_uwuw();          //!< Create UWUW pointer
-  void init_cells();         //!< Create cells from DAGMC volumes
-  void init_surfaces();      //!< Create surfaces from DAGMC surfaces
-
   //! Reads UWUW materials and returns an ID map
   void read_uwuw_materials();
   //! Indicates whether or not UWUW materials are present
@@ -155,6 +148,8 @@ public:
 private:
   void set_id();             //!< Deduce the universe id from model::universes
   void init_dagmc();         //!< Create and initialise DAGMC pointer
+  void init_metadata();      //!< Create and initialise dagmcMetaData pointer
+  void init_geometry();      //!< Create cells and surfaces from DAGMC entities
 
   std::string
     filename_; //!< Name of the DAGMC file used to create this universe
@@ -169,7 +164,6 @@ private:
                              //!< generate new material IDs for the universe
   bool has_graveyard_; //!< Indicates if the DAGMC geometry has a "graveyard"
                        //!< volume
-  moab::EntityHandle graveyard; //!< MOAB index for graveyard
 };
 
 //==============================================================================
diff --git a/src/dagmc.cpp b/src/dagmc.cpp
index 061c04f87..2d0bab86e 100644
--- a/src/dagmc.cpp
+++ b/src/dagmc.cpp
@@ -83,7 +83,9 @@ DAGUniverse::DAGUniverse(std::shared_ptr<moab::DagMC> external_dagmc_ptr,
       adjust_geometry_ids_(auto_geom_ids), adjust_material_ids_(auto_mat_ids)
 {
   set_id();
-  uwuw_disabled = (filename=="");
+  init_metadata();
+  read_uwuw_materials();
+  init_geometry();
 }
 
 void DAGUniverse::set_id()
@@ -103,19 +105,14 @@ void DAGUniverse::set_id()
 void DAGUniverse::initialize()
 {
   geom_type() = GeometryType::DAG;
-  uwuw_disabled = false;
 
   init_dagmc();
 
   init_metadata();
 
-  init_uwuw();
-
   read_uwuw_materials();
 
-  init_cells();
-
-  init_surfaces();
+  init_geometry();
 }
 
 void DAGUniverse::init_dagmc()
@@ -151,7 +148,7 @@ void DAGUniverse::init_metadata()
   MB_CHK_ERR_CONT(rval);
 }
 
-void DAGUniverse::init_cells()
+void DAGUniverse::init_geometry()
 {
   moab::ErrorCode rval;
 
@@ -166,7 +163,7 @@ void DAGUniverse::init_cells()
 
   // initialize cell objects
   int n_cells = dagmc_instance_->num_entities(3);
-  graveyard = 0;
+  moab::EntityHandle graveyard = 0;
   for (int i = 0; i < n_cells; i++) {
     moab::EntityHandle vol_handle = dagmc_instance_->entity_by_index(3, i + 1);
 
@@ -259,12 +256,6 @@ void DAGUniverse::init_cells()
 
   has_graveyard_ = graveyard;
 
-}
-
-void DAGUniverse::init_surfaces()
-{
-  moab::ErrorCode rval;
-
   // determine the next surface id
   int32_t next_surf_id = 0;
   for (const auto& s : model::surfaces) {
@@ -514,14 +505,14 @@ void DAGUniverse::legacy_assign_material(
   }
 }
 
-void DAGUniverse::init_uwuw()
-{
-  if (uwuw_disabled) return;
-  uwuw_ = std::make_shared<UWUW>(filename_.c_str());
-}
-
 void DAGUniverse::read_uwuw_materials()
 {
+  // If no filename was provided, disable read UWUW materials
+  uwuw_disabled = (filename_=="");
+
+  if (uwuw_disabled) return;
+  uwuw_ = std::make_shared<UWUW>(filename_.c_str());
+
   if (!uses_uwuw())
     return;
 

From 03ee3d6e779247b4afcca88473efc023086ca0b2 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 21 Apr 2022 09:53:50 -0500
Subject: [PATCH 0226/2654] Fix equations in docstrings for a few depletion
 integrations

---
 openmc/deplete/integrators.py | 19 ++++++++++---------
 1 file changed, 10 insertions(+), 9 deletions(-)

diff --git a/openmc/deplete/integrators.py b/openmc/deplete/integrators.py
index 49d1d62d7..c19ef076a 100644
--- a/openmc/deplete/integrators.py
+++ b/openmc/deplete/integrators.py
@@ -124,13 +124,13 @@ class CF4Integrator(Integrator):
 
     .. math::
         \begin{aligned}
-        \mathbf{A}_1 &= h\mathbf{A}(\mathbf{n}_0) \\
-        \hat{\mathbf{n}}_1 &= \exp \left ( \frac{\mathbf{A}_1}{2} \right ) \\
+        \mathbf{A}_1 &= h\mathbf{A}(\mathbf{n}_i) \\
+        \hat{\mathbf{n}}_1 &= \exp \left ( \frac{\mathbf{A}_1}{2} \right ) \mathbf{n}_i \\
         \mathbf{A}_2 &= h\mathbf{A}(\hat{\mathbf{n}}_1) \\
-        \hat{\mathbf{n}}_2 &= \exp \left ( \frac{\mathbf{A}_2}{2} \right ) \\
+        \hat{\mathbf{n}}_2 &= \exp \left ( \frac{\mathbf{A}_2}{2} \right ) \mathbf{n}_i \\
         \mathbf{A}_3 &= h \mathbf{A}(\hat{\mathbf{n}}_2) \\
         \hat{\mathbf{n}}_3 &= \exp \left ( -\frac{\mathbf{A}_1}{2} + \mathbf{A}_3
-            \right ) \\
+            \right ) \hat{\mathbf{n}}_1 \\
         \mathbf{A}_4 &= h\mathbf{A}(\hat{\mathbf{n}}_3) \\
         \mathbf{n}_{i+1} &= \exp \left ( \frac{\mathbf{A}_1}{4} + \frac{\mathbf{A}_2}{6}
             + \frac{\mathbf{A}_3}{6} - \frac{\mathbf{A}_4}{12} \right )
@@ -207,7 +207,8 @@ class CELIIntegrator(Integrator):
 
     .. math::
         \begin{aligned}
-        \mathbf{n}_{i+1}^p &= \exp \left ( h \mathbf{A}(\mathbf{n}_i ) \right ) \\
+        \mathbf{n}_{i+1}^p &= \exp \left ( h \mathbf{A}(\mathbf{n}_i ) \right )
+        \mathbf{n}_i \\
         \mathbf{n}_{i+1} &= \exp \left( \frac{h}{12} \mathbf{A}(\mathbf{n}_i) +
             \frac{5h}{12} \mathbf{A}(\mathbf{n}_{i+1}^p) \right)
         \exp \left( \frac{5h}{12} \mathbf{A}(\mathbf{n}_i) +
@@ -268,12 +269,12 @@ class EPCRK4Integrator(Integrator):
 
     .. math::
         \begin{aligned}
-        \mathbf{A}_1 &= h\mathbf{A}(\mathbf{n}_0) \\
-        \hat{\mathbf{n}}_1 &= \exp \left ( \frac{\mathbf{A}_1}{2} \right ) \\
+        \mathbf{A}_1 &= h\mathbf{A}(\mathbf{n}_i) \\
+        \hat{\mathbf{n}}_1 &= \exp \left ( \frac{\mathbf{A}_1}{2} \right ) \mathbf{n}_i \\
         \mathbf{A}_2 &= h\mathbf{A}(\hat{\mathbf{n}}_1) \\
-        \hat{\mathbf{n}}_2 &= \exp \left ( \frac{\mathbf{A}_2}{2} \right ) \\
+        \hat{\mathbf{n}}_2 &= \exp \left ( \frac{\mathbf{A}_2}{2} \right ) \mathbf{n}_i \\
         \mathbf{A}_3 &= h \mathbf{A}(\hat{\mathbf{n}}_2) \\
-        \hat{\mathbf{n}}_3 &= \exp \left ( \mathbf{A}_3 \right ) \\
+        \hat{\mathbf{n}}_3 &= \exp \left ( \mathbf{A}_3 \right ) \mathbf{n}_i \\
         \mathbf{A}_4 &= h\mathbf{A}(\hat{\mathbf{n}}_3) \\
         \mathbf{n}_{i+1} &= \exp \left ( \frac{\mathbf{A}_1}{6} + \frac{\mathbf{A}_2}{3}
         + \frac{\mathbf{A}_3}{3} + \frac{\mathbf{A}_4}{6} \right ) \mathbf{n}_i.

From 371f4746c20aefb920415669c5239be43d2adc54 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 21 Apr 2022 14:31:40 -0500
Subject: [PATCH 0227/2654] Add minimal output to Integrator.integrate

---
 openmc/deplete/abc.py | 25 ++++++++++++++++++++++---
 1 file changed, 22 insertions(+), 3 deletions(-)

diff --git a/openmc/deplete/abc.py b/openmc/deplete/abc.py
index 3c7a13687..0d1e8ad41 100644
--- a/openmc/deplete/abc.py
+++ b/openmc/deplete/abc.py
@@ -851,7 +851,7 @@ class Integrator(ABC):
         return (self.operator.prev_res[-1].time[-1],
                 len(self.operator.prev_res) - 1)
 
-    def integrate(self, final_step=True):
+    def integrate(self, final_step=True, output=True):
         """Perform the entire depletion process across all steps
 
         Parameters
@@ -861,12 +861,18 @@ class Integrator(ABC):
             of the last timestep.
 
             .. versionadded:: 0.12.1
+        output : bool, optional
+            Indicate whether to display information about progress
 
+            .. versionadded:: 0.13.1
         """
         with self.operator as conc:
             t, self._i_res = self._get_start_data()
 
             for i, (dt, source_rate) in enumerate(self):
+                if output:
+                    print(f"[openmc.deplete] t={t} s, dt={dt} s, source={source_rate}")
+
                 # Solve transport equation (or obtain result from restart)
                 if i > 0 or self.operator.prev_res is None:
                     conc, res = self._get_bos_data_from_operator(i, source_rate, conc)
@@ -892,6 +898,8 @@ class Integrator(ABC):
             # source rate is passed to the transport operator (which knows to
             # just return zero reaction rates without actually doing a transport
             # solve)
+            if output and final_step:
+                print(f"[openmc.deplete] t={t} (final operator evaluation)")
             res_list = [self.operator(conc, source_rate if final_step else 0.0)]
             Results.save(self.operator, [conc], res_list, [t, t],
                          source_rate, self._i_res + len(self), proc_time)
@@ -1004,12 +1012,23 @@ class SIIntegrator(Integrator):
             self.operator.settings.particles //= self.n_steps
         return inherited
 
-    def integrate(self):
-        """Perform the entire depletion process across all steps"""
+    def integrate(self, output=True):
+        """Perform the entire depletion process across all steps
+
+        Parameters
+        ----------
+        output : bool, optional
+            Indicate whether to display information about progress
+
+            .. versionadded:: 0.13.1
+        """
         with self.operator as conc:
             t, self._i_res = self._get_start_data()
 
             for i, (dt, p) in enumerate(self):
+                if output:
+                    print(f"[openmc.deplete] t={t} s, dt={dt} s, source={p}")
+
                 if i == 0:
                     if self.operator.prev_res is None:
                         conc, res = self._get_bos_data_from_operator(i, p, conc)

From d95903783b76e27b9484456ee0a1f02e23b1d6db Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 21 Apr 2022 14:32:29 -0500
Subject: [PATCH 0228/2654] Add get_atom_densities method in AtomNumber class

---
 openmc/deplete/atom_number.py | 63 ++++++++++++++++++++++++-----------
 1 file changed, 44 insertions(+), 19 deletions(-)

diff --git a/openmc/deplete/atom_number.py b/openmc/deplete/atom_number.py
index e4982f872..5430ddc35 100644
--- a/openmc/deplete/atom_number.py
+++ b/openmc/deplete/atom_number.py
@@ -6,6 +6,8 @@ from collections import OrderedDict
 
 import numpy as np
 
+from openmc import Material
+
 
 class AtomNumber:
     """Stores local material compositions (atoms of each nuclide).
@@ -58,6 +60,12 @@ class AtomNumber:
 
         self.number = np.zeros((len(local_mats), len(nuclides)))
 
+    def _get_mat_index(self, mat):
+        """Helper method for getting material index"""
+        if isinstance(mat, Material):
+            mat = str(mat.id)
+        return self.index_mat[mat] if isinstance(mat, str) else mat
+
     def __getitem__(self, pos):
         """Retrieves total atom number from AtomNumber.
 
@@ -75,8 +83,7 @@ class AtomNumber:
         """
 
         mat, nuc = pos
-        if isinstance(mat, str):
-            mat = self.index_mat[mat]
+        mat = self._get_mat_index(mat)
         if isinstance(nuc, str):
             nuc = self.index_nuc[nuc]
 
@@ -96,8 +103,7 @@ class AtomNumber:
 
         """
         mat, nuc = pos
-        if isinstance(mat, str):
-            mat = self.index_mat[mat]
+        mat = self._get_mat_index(mat)
         if isinstance(nuc, str):
             nuc = self.index_nuc[nuc]
 
@@ -121,11 +127,11 @@ class AtomNumber:
                 if ind < self.n_nuc_burn]
 
     def get_atom_density(self, mat, nuc):
-        """Accesses atom density instead of total number.
+        """Return atom density of given material and nuclide
 
         Parameters
         ----------
-        mat : str, int or slice
+        mat : str, int, openmc.Material or slice
             Material index.
         nuc : str, int or slice
             Nuclide index.
@@ -136,19 +142,43 @@ class AtomNumber:
             Density in [atom/cm^3]
 
         """
-        if isinstance(mat, str):
-            mat = self.index_mat[mat]
+        mat = self._get_mat_index(mat)
         if isinstance(nuc, str):
             nuc = self.index_nuc[nuc]
 
         return self[mat, nuc] / self.volume[mat]
 
+    def get_atom_densities(self, mat, units='atom/b-cm'):
+        """Return atom densities for a given material
+
+        Parameters
+        ----------
+        mat : str, int, openmc.Material or slice
+            Material index.
+        units : {"atom/b-cm", "atom/cm3"}, optional
+            Units for the returned concentration. Default is ``"atom/b-cm"``
+
+            .. versionadded:: 0.13.1
+
+        Returns
+        -------
+        dict
+            Dictionary mapping nuclides to atom densities
+
+        """
+        mat = self._get_mat_index(mat)
+        normalization = (1.0e-24 if units == 'atom/b-cm' else 1.0) / self.volume[mat]
+        return {
+            name: normalization * self[mat, nuc]
+            for name, nuc in self.index_nuc.items()
+        }
+
     def set_atom_density(self, mat, nuc, val):
         """Sets atom density instead of total number.
 
         Parameters
         ----------
-        mat : str, int or slice
+        mat : str, int, openmc.Material or slice
             Material index.
         nuc : str, int or slice
             Nuclide index.
@@ -156,8 +186,7 @@ class AtomNumber:
             Array of densities to set in [atom/cm^3]
 
         """
-        if isinstance(mat, str):
-            mat = self.index_mat[mat]
+        mat = self._get_mat_index(mat)
         if isinstance(nuc, str):
             nuc = self.index_nuc[nuc]
 
@@ -168,7 +197,7 @@ class AtomNumber:
 
         Parameters
         ----------
-        mat : str, int or slice
+        mat : str, int, openmc.Material or slice
             Material index.
 
         Returns
@@ -177,9 +206,7 @@ class AtomNumber:
             The slice requested in [atom].
 
         """
-        if isinstance(mat, str):
-            mat = self.index_mat[mat]
-
+        mat = self._get_mat_index(mat)
         return self[mat, :self.n_nuc_burn]
 
     def set_mat_slice(self, mat, val):
@@ -187,15 +214,13 @@ class AtomNumber:
 
         Parameters
         ----------
-        mat : str, int or slice
+        mat : str, int, openmc.Material, or slice
             Material index.
         val : numpy.ndarray
             The slice to set in [atom]
 
         """
-        if isinstance(mat, str):
-            mat = self.index_mat[mat]
-
+        mat = self._get_mat_index(mat)
         self[mat, :self.n_nuc_burn] = val
 
     def set_density(self, total_density):

From 3024d6d55adeeb089af34af9b4cc2b705d11300e Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 21 Apr 2022 14:32:41 -0500
Subject: [PATCH 0229/2654] Add deplete.Nuclide.__repr__ method

---
 openmc/deplete/nuclide.py | 5 +++++
 1 file changed, 5 insertions(+)

diff --git a/openmc/deplete/nuclide.py b/openmc/deplete/nuclide.py
index 992248246..d637edcfa 100644
--- a/openmc/deplete/nuclide.py
+++ b/openmc/deplete/nuclide.py
@@ -123,6 +123,11 @@ class Nuclide:
         # Neutron fission yields, if present
         self._yield_data = None
 
+    def __repr__(self):
+        return "<Nuclide: {} ({} modes, {} reactions)>".format(
+            self.name, self.n_decay_modes, self.n_reaction_paths
+        )
+
     @property
     def n_decay_modes(self):
         return len(self.decay_modes)

From 4cc243b154ea721d6b1df7768104d8d15979f2ff Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 21 Apr 2022 14:33:01 -0500
Subject: [PATCH 0230/2654] Make sure `diff_burnable_mats` updates materials
 appropriately

---
 openmc/deplete/operator.py | 14 +++++++-------
 1 file changed, 7 insertions(+), 7 deletions(-)

diff --git a/openmc/deplete/operator.py b/openmc/deplete/operator.py
index b5e377bed..337e8f8c0 100644
--- a/openmc/deplete/operator.py
+++ b/openmc/deplete/operator.py
@@ -84,11 +84,11 @@ class Operator(TransportOperator):
 
     .. versionchanged:: 0.13.0
         The geometry and settings parameters have been replaced with a
-        model parameter that takes an openmc.Model object
+        model parameter that takes a :class:`~openmc.model.Model` object
 
     Parameters
     ----------
-    model : openmc.Model
+    model : openmc.model.Model
         OpenMC model object
     chain_file : str, optional
         Path to the depletion chain XML file.  Defaults to the file
@@ -163,7 +163,7 @@ class Operator(TransportOperator):
 
     Attributes
     ----------
-    model : openmc.Model
+    model : openmc.model.Model
         OpenMC model object
     geometry : openmc.Geometry
         OpenMC geometry object
@@ -195,8 +195,6 @@ class Operator(TransportOperator):
     prev_res : ResultsList or None
         Results from a previous depletion calculation. ``None`` if no
         results are to be used.
-    diff_burnable_mats : bool
-        Whether to differentiate burnable materials with multiple instances
     cleanup_when_done : bool
         Whether to finalize and clear the shared library memory when the
         depletion operation is complete. Defaults to clearing the library.
@@ -248,7 +246,6 @@ class Operator(TransportOperator):
             )
         self.materials = model.materials
 
-        self.diff_burnable_mats = diff_burnable_mats
         self.cleanup_when_done = True
 
         # Reduce the chain before we create more materials
@@ -262,8 +259,11 @@ class Operator(TransportOperator):
             self.chain = self.chain.reduce(all_isotopes, reduce_chain_level)
 
         # Differentiate burnable materials with multiple instances
-        if self.diff_burnable_mats:
+        if diff_burnable_mats:
             self._differentiate_burnable_mats()
+            self.materials = openmc.Materials(
+                model.geometry.get_all_materials().values()
+            )
 
         # Clear out OpenMC, create task lists, distribute
         openmc.reset_auto_ids()

From e8b9e85084adb8abefd4e17a1324e27cc98183d5 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 21 Apr 2022 14:33:18 -0500
Subject: [PATCH 0231/2654] Flush output from results

---
 src/output.cpp | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/src/output.cpp b/src/output.cpp
index 58f081f67..6565a9e67 100644
--- a/src/output.cpp
+++ b/src/output.cpp
@@ -545,7 +545,7 @@ void print_results()
     fmt::print(" Leakage Fraction           = {:.5f}\n",
       gt(GlobalTally::LEAKAGE, TallyResult::SUM) / n);
   }
-  fmt::print("\n");
+  std::cout << std::endl;
 }
 
 //==============================================================================

From bd707de9200fe1af5ee420aa8b3f0a2356daeca6 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 22 Apr 2022 07:17:10 -0500
Subject: [PATCH 0232/2654] Use f-string in deplete.Nuclide.__repr__

---
 openmc/deplete/nuclide.py | 5 ++---
 1 file changed, 2 insertions(+), 3 deletions(-)

diff --git a/openmc/deplete/nuclide.py b/openmc/deplete/nuclide.py
index d637edcfa..7b6ddd788 100644
--- a/openmc/deplete/nuclide.py
+++ b/openmc/deplete/nuclide.py
@@ -124,9 +124,8 @@ class Nuclide:
         self._yield_data = None
 
     def __repr__(self):
-        return "<Nuclide: {} ({} modes, {} reactions)>".format(
-            self.name, self.n_decay_modes, self.n_reaction_paths
-        )
+        n_modes, n_rx = self.n_decay_modes, self.n_reaction_paths
+        return f"<Nuclide: {self.name} ({n_modes} modes, {n_rx} reactions)>"
 
     @property
     def n_decay_modes(self):

From 2e326732abcb8f9df6c830416eb095396bbef647 Mon Sep 17 00:00:00 2001
From: April Novak <novak@berkeley.edu>
Date: Mon, 25 Apr 2022 12:13:20 -0500
Subject: [PATCH 0233/2654] Allow control of C++ standard. Refs #2039

---
 CMakeLists.txt | 8 +++-----
 1 file changed, 3 insertions(+), 5 deletions(-)

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 5cf5ce6d8..28f917956 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -454,11 +454,9 @@ target_compile_options(openmc PRIVATE ${cxxflags})
 target_include_directories(openmc PRIVATE ${CMAKE_BINARY_DIR}/include)
 target_link_libraries(openmc libopenmc)
 
-# Ensure C++14 standard is used. Starting with CMake 3.8, another way this could
-# be done is using the cxx_std_14 compiler feature.
-set_target_properties(
-    openmc libopenmc
-    PROPERTIES CXX_STANDARD 14 CXX_EXTENSIONS OFF)
+# Ensure C++14 standard is used
+target_compile_features(openmc PUBLIC cxx_std_14)
+target_compile_features(libopenmc PUBLIC cxx_std_14)
 
 #===============================================================================
 # Python package

From 575a678207712e04e940c89f89431da4cc02120a Mon Sep 17 00:00:00 2001
From: April Novak <novak@berkeley.edu>
Date: Tue, 26 Apr 2022 11:06:28 -0500
Subject: [PATCH 0234/2654] Adjust C++ standard for Moab test. Refs #2039

---
 tests/regression_tests/external_moab/test.py | 3 +--
 1 file changed, 1 insertion(+), 2 deletions(-)

diff --git a/tests/regression_tests/external_moab/test.py b/tests/regression_tests/external_moab/test.py
index 47e3ef80e..b9d307239 100644
--- a/tests/regression_tests/external_moab/test.py
+++ b/tests/regression_tests/external_moab/test.py
@@ -37,8 +37,7 @@ def cpp_driver(request):
             add_executable(main main.cpp)
             find_package(OpenMC REQUIRED HINTS {})
             target_link_libraries(main OpenMC::libopenmc)
-            set_target_properties(main PROPERTIES CXX_STANDARD
-            14 CXX_STANDARD_REQUIRED YES CXX_EXTENSIONS NO)
+            target_compile_features(main PUBLIC cxx_std_14)
             set(CMAKE_CXX_FLAGS "-pedantic-errors")
             add_compile_definitions(DAGMC=1)
             """.format(openmc_dir)))

From 3c2f0c03ffdce64c72b51202c089cc804b82df7b Mon Sep 17 00:00:00 2001
From: yardasol <oyardas2@illinois.edu>
Date: Tue, 26 Apr 2022 13:32:14 -0500
Subject: [PATCH 0235/2654] apply feedback from @paulromano: add checks for
 sector bounds; make variables less ambiguous

---
 openmc/model/surface_composite.py          | 59 ++++++++++++----------
 tests/unit_tests/test_surface_composite.py | 20 +++++---
 2 files changed, 45 insertions(+), 34 deletions(-)

diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index e3ac7e345..7a6a50ba4 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -66,16 +66,18 @@ class CylinderSector(CompositeSurface):
        Coordinate for central axes of cylinders in the (y, z), (z, x), or
          (x, y) basis. Defaults to (0,0)
     r1 : float
-        Inner cylinder radii
+        Inner radius of sector. Must be less than r2.
     r2 : float
-        Outer cylinder radii
-    theta0 : float
-        Angular offset of the sector in degrees relative to the primary basis
-        axis (+y, +z, or +x).
-    theta : float
-        Angular width of the sector in degrees.
+        Outer radius of sector. Must be greater than r1.
+    central_angle : float
+        Central angle, :math:`\\theta`, of the sector in degrees. Must be greater
+        that 0 and less than 360.
+    alpha : float
+        Angular offset of the clockwise-most side of the sector in degrees
+        relative to the primary basis axis (+y, +z, or +x).
     axis : {'x', 'y', 'z'}
-        Central axis of the cylinders. Defaults to 'z'.
+        Central axis of the cylinders defining the inner and outer surfaces
+        of the sector. Defaults to 'z'.
     **kwargs
         Keyword arguments passed to underlying plane classes.
 
@@ -85,32 +87,37 @@ class CylinderSector(CompositeSurface):
         Outer cylinder surface
     inner_cyl : openmc.ZCylinder, openmc.YCylinder, or openmc.XCylinder
         Inner cylinder surface
-    plane0 : openmc.Plane
-        Plane at angle :math:`\\theta_0` relative to the first basis axis
     plane1 : openmc.Plane
-        Plane at angle :math:`\\theta_0 + \\theta` relative to the first
+        Plane at angle :math:`\\phi_1 = \\alpha` relative to the first basis axis
+    plane2 : openmc.Plane
+        Plane at angle :math:`\\phi_2 = \\alpha + \\theta` relative to the first
         basis axis.
 
     """
 
-    _surface_names = ('outer_cyl', 'inner_cyl',
-                      'plane0', 'plane1')
+    _surface_names = ('outer_cyl', 'inner_cyl', 'plane1', 'plane2')
 
-    def __init__(self, center, r1, r2, theta0, theta, axis='z', **kwargs):
-        theta0 = pi / 180 * theta0
-        theta = pi / 180 * theta
-        theta1 = theta0 + theta
+    def __init__(self, center, r1, r2, central_angle, alpha, axis='z', **kwargs):
+
+        if r2 <= r1 * sqrt(2):
+            raise ValueError(f'r2 must be greater than r1.')
+
+        if central_angle >= 360. or central_angle <= 0:
+            raise ValueError(f'theta must be less than 360.')
+
+        phi1 = pi / 180 * alpha
+        phi2 = pi / 180 * (alpha + central_angle)
 
         # Coords for axis-perpendicular planes
         p1 = np.array([0., 0., 1.])
 
-        p2_plane0 = np.array([r1 * cos(theta0), r1 * sin(theta0), 0.])
-        p3_plane0 = np.array([r2 * cos(theta0), r2 * sin(theta0), 0.])
+        p2_plane1 = np.array([r1 * cos(phi1), r1 * sin(phi1), 0.])
+        p3_plane1 = np.array([r2 * cos(phi1), r2 * sin(phi1), 0.])
 
-        p2_plane1 = np.array([r1 * cos(theta1), r1 * sin(theta1), 0.])
-        p3_plane1 = np.array([r2 * cos(theta1), r2 * sin(theta1), 0.])
+        p2_plane2 = np.array([r1 * cos(phi2), r1 * sin(phi2), 0.])
+        p3_plane2 = np.array([r2 * cos(phi2), r2 * sin(phi2), 0.])
 
-        points = [p1, p2_plane0, p3_plane0, p2_plane1, p3_plane1]
+        points = [p1, p2_plane1, p3_plane1, p2_plane2, p3_plane2]
         if axis == 'z':
             coord_map = [0, 1, 2]
             self.inner_cyl = openmc.ZCylinder(*center, r1, **kwargs)
@@ -127,16 +134,16 @@ class CylinderSector(CompositeSurface):
         for p in points:
             p[:] = p[coord_map]
 
-        self.plane0 = openmc.Plane.from_points(p1, p2_plane0, p3_plane0,
-                                               **kwargs)
         self.plane1 = openmc.Plane.from_points(p1, p2_plane1, p3_plane1,
                                                **kwargs)
+        self.plane2 = openmc.Plane.from_points(p1, p2_plane2, p3_plane2,
+                                               **kwargs)
 
     def __neg__(self):
-        return -self.outer_cyl & +self.inner_cyl & -self.plane0 & +self.plane1
+        return -self.outer_cyl & +self.inner_cyl & -self.plane1 & +self.plane2
 
     def __pos__(self):
-        return +self.outer_cyl | -self.inner_cyl | +self.plane0 | -self.plane1
+        return +self.outer_cyl | -self.inner_cyl | +self.plane1 | -self.plane2
 
 
 class IsogonalOctagon(CompositeSurface):
diff --git a/tests/unit_tests/test_surface_composite.py b/tests/unit_tests/test_surface_composite.py
index 7985a2aae..00e51e6d9 100644
--- a/tests/unit_tests/test_surface_composite.py
+++ b/tests/unit_tests/test_surface_composite.py
@@ -164,22 +164,22 @@ def test_cylinder_sector(axis, indices):
     center = [0., 0.]
     r1, r2 = 0.5, 1.5
     d = (r2 - r1) / 2
-    theta0 = -60.
-    theta = 120.
-    s = openmc.model.CylinderSector(center, r1, r2, theta0, theta,
+    central_angle = 120.
+    alpha = -60.
+    s = openmc.model.CylinderSector(center, r1, r2, central_angle, alpha,
                                     axis=axis.lower())
     assert isinstance(s.outer_cyl, getattr(openmc, axis + "Cylinder"))
     assert isinstance(s.inner_cyl, getattr(openmc, axis + "Cylinder"))
-    assert isinstance(s.plane0, openmc.Plane)
     assert isinstance(s.plane1, openmc.Plane)
+    assert isinstance(s.plane2, openmc.Plane)
 
     # Make sure boundary condition propagates
     s.boundary_type = 'reflective'
     assert s.boundary_type == 'reflective'
     assert s.outer_cyl.boundary_type == 'reflective'
     assert s.inner_cyl.boundary_type == 'reflective'
-    assert s.plane0.boundary_type == 'reflective'
     assert s.plane1.boundary_type == 'reflective'
+    assert s.plane2.boundary_type == 'reflective'
 
     # Check bounding box
     ll, ur = (+s).bounding_box
@@ -193,7 +193,7 @@ def test_cylinder_sector(axis, indices):
     point_pos = np.roll([0, r2 + 1, 0], indices[0])
     assert point_pos in +s
     assert point_pos not in -s
-    point_neg = np.roll([0, r1 + d/2, r1 + d/2], indices[0])
+    point_neg = np.roll([0, r1 + d, r1 + d], indices[0])
     assert point_neg in -s
     assert point_neg not in +s
 
@@ -206,9 +206,13 @@ def test_cylinder_sector(axis, indices):
 
     # Check invalid r1, r2 combinations
     with pytest.raises(ValueError):
-        openmc.model.IsogonalOctagon(center, r1=1.0, r2=10.)
+        openmc.model.CylinderSector(center, 10., 1., central_angle, alpha)
+
+    # Check invalid sector width
     with pytest.raises(ValueError):
-        openmc.model.IsogonalOctagon(center, r1=10., r2=1.)
+        openmc.model.CylinderSector(center, 1., 10., 360, alpha)
+    with pytest.raises(ValueError):
+        openmc.model.CylinderSector(center, 1., 10., -1, alpha)
 
     # Make sure repr works
     repr(s)

From 020e0bd945ee9ac3a385c6ae02cf25239cbd7dae Mon Sep 17 00:00:00 2001
From: yardasol <oyardas2@illinois.edu>
Date: Tue, 26 Apr 2022 13:33:04 -0500
Subject: [PATCH 0236/2654] minor docstring addition

---
 openmc/model/surface_composite.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index 7a6a50ba4..3b4a1f42f 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -73,7 +73,7 @@ class CylinderSector(CompositeSurface):
         Central angle, :math:`\\theta`, of the sector in degrees. Must be greater
         that 0 and less than 360.
     alpha : float
-        Angular offset of the clockwise-most side of the sector in degrees
+        Angular offset, :math:`\\alpha`, of the clockwise-most side of the sector in degrees
         relative to the primary basis axis (+y, +z, or +x).
     axis : {'x', 'y', 'z'}
         Central axis of the cylinders defining the inner and outer surfaces

From be97beb1c44ed4f46c175454a940a4e15a80f696 Mon Sep 17 00:00:00 2001
From: yardasol <oyardas2@illinois.edu>
Date: Tue, 26 Apr 2022 13:41:50 -0500
Subject: [PATCH 0237/2654] make description of 'first basis axis' consistent'

---
 openmc/model/surface_composite.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index 3b4a1f42f..9a44d1955 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -74,7 +74,7 @@ class CylinderSector(CompositeSurface):
         that 0 and less than 360.
     alpha : float
         Angular offset, :math:`\\alpha`, of the clockwise-most side of the sector in degrees
-        relative to the primary basis axis (+y, +z, or +x).
+        relative to the first basis axis (+y, +z, or +x).
     axis : {'x', 'y', 'z'}
         Central axis of the cylinders defining the inner and outer surfaces
         of the sector. Defaults to 'z'.

From 5abd01d4df7534b7be6aee8723791c6706afdd80 Mon Sep 17 00:00:00 2001
From: yardasol <oyardas2@illinois.edu>
Date: Tue, 26 Apr 2022 13:49:21 -0500
Subject: [PATCH 0238/2654] add description of surfaces

---
 openmc/model/surface_composite.py | 4 ++++
 1 file changed, 4 insertions(+)

diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index 9a44d1955..c39439ed3 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -56,6 +56,10 @@ class CompositeSurface(ABC):
 class CylinderSector(CompositeSurface):
     """Infinite cylindrical sector composite surface
 
+    A cylinder sector is composed of two cylindrical and two planar surfaces.
+    The cylindrical surfaces are concentric, and the planar surfaces intersect
+    the central axis of the cylindrical surfaces.
+
     This class acts as a proper surface, meaning that unary `+` and `-`
     operators applied to it will produce a half-space. The negative
     side is defined to be the region inside of the cylinder sector.

From 09711e9672cbdd50682c20af8575da2db5e8c541 Mon Sep 17 00:00:00 2001
From: yardasol <oyardas2@illinois.edu>
Date: Tue, 26 Apr 2022 14:05:47 -0500
Subject: [PATCH 0239/2654] alpha -> ccw_offset; consistency changes

---
 openmc/model/surface_composite.py          | 25 +++++++++++++++-------
 tests/unit_tests/test_surface_composite.py | 10 ++++-----
 2 files changed, 22 insertions(+), 13 deletions(-)

diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index c39439ed3..5ad87d719 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -74,11 +74,13 @@ class CylinderSector(CompositeSurface):
     r2 : float
         Outer radius of sector. Must be greater than r1.
     central_angle : float
-        Central angle, :math:`\\theta`, of the sector in degrees. Must be greater
-        that 0 and less than 360.
-    alpha : float
-        Angular offset, :math:`\\alpha`, of the clockwise-most side of the sector in degrees
-        relative to the first basis axis (+y, +z, or +x).
+        Central angle, :math:`\\theta`, of the sector in degrees. Must be
+        greater that 0 and less than 360.
+    ccw_offset : float
+        Angular offset, :math:`\\alpha`, in the counter-clockwise direction
+        with respect to the first basis axis (+y, +z, or +x) of the
+        clockwise-most side of the sector in degrees. Note that negative values
+        translate to a clockwise offset.
     axis : {'x', 'y', 'z'}
         Central axis of the cylinders defining the inner and outer surfaces
         of the sector. Defaults to 'z'.
@@ -101,7 +103,14 @@ class CylinderSector(CompositeSurface):
 
     _surface_names = ('outer_cyl', 'inner_cyl', 'plane1', 'plane2')
 
-    def __init__(self, center, r1, r2, central_angle, alpha, axis='z', **kwargs):
+    def __init__(self,
+                 center,
+                 r1,
+                 r2,
+                 central_angle,
+                 ccw_offset,
+                 axis='z',
+                 **kwargs):
 
         if r2 <= r1 * sqrt(2):
             raise ValueError(f'r2 must be greater than r1.')
@@ -109,8 +118,8 @@ class CylinderSector(CompositeSurface):
         if central_angle >= 360. or central_angle <= 0:
             raise ValueError(f'theta must be less than 360.')
 
-        phi1 = pi / 180 * alpha
-        phi2 = pi / 180 * (alpha + central_angle)
+        phi1 = pi / 180 * ccw_offset
+        phi2 = pi / 180 * (ccw_offset + central_angle)
 
         # Coords for axis-perpendicular planes
         p1 = np.array([0., 0., 1.])
diff --git a/tests/unit_tests/test_surface_composite.py b/tests/unit_tests/test_surface_composite.py
index 00e51e6d9..458f11c60 100644
--- a/tests/unit_tests/test_surface_composite.py
+++ b/tests/unit_tests/test_surface_composite.py
@@ -165,8 +165,8 @@ def test_cylinder_sector(axis, indices):
     r1, r2 = 0.5, 1.5
     d = (r2 - r1) / 2
     central_angle = 120.
-    alpha = -60.
-    s = openmc.model.CylinderSector(center, r1, r2, central_angle, alpha,
+    ccw_offset = -60.
+    s = openmc.model.CylinderSector(center, r1, r2, central_angle, ccw_offset,
                                     axis=axis.lower())
     assert isinstance(s.outer_cyl, getattr(openmc, axis + "Cylinder"))
     assert isinstance(s.inner_cyl, getattr(openmc, axis + "Cylinder"))
@@ -206,13 +206,13 @@ def test_cylinder_sector(axis, indices):
 
     # Check invalid r1, r2 combinations
     with pytest.raises(ValueError):
-        openmc.model.CylinderSector(center, 10., 1., central_angle, alpha)
+        openmc.model.CylinderSector(center, 10., 1., central_angle, ccw_offset)
 
     # Check invalid sector width
     with pytest.raises(ValueError):
-        openmc.model.CylinderSector(center, 1., 10., 360, alpha)
+        openmc.model.CylinderSector(center, 1., 10., 360, ccw_offset)
     with pytest.raises(ValueError):
-        openmc.model.CylinderSector(center, 1., 10., -1, alpha)
+        openmc.model.CylinderSector(center, 1., 10., -1, ccw_offset)
 
     # Make sure repr works
     repr(s)

From 3cb3f9e673bca24a95f3c35aab65a415e3ba0905 Mon Sep 17 00:00:00 2001
From: yardasol <oyardas2@illinois.edu>
Date: Tue, 26 Apr 2022 14:26:11 -0500
Subject: [PATCH 0240/2654] clean up run-on sentence for ccw_offset; fix
 formatting in description for center

---
 openmc/model/surface_composite.py | 16 ++++++++--------
 1 file changed, 8 insertions(+), 8 deletions(-)

diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index 5ad87d719..0f62c07ac 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -67,8 +67,8 @@ class CylinderSector(CompositeSurface):
     Parameters
     ----------
     center : iterable of float
-       Coordinate for central axes of cylinders in the (y, z), (z, x), or
-         (x, y) basis. Defaults to (0,0)
+       Coordinate for central axes of cylinders in the (y, z), (z, x), or (x, y)
+       basis. Defaults to (0,0)
     r1 : float
         Inner radius of sector. Must be less than r2.
     r2 : float
@@ -77,13 +77,13 @@ class CylinderSector(CompositeSurface):
         Central angle, :math:`\\theta`, of the sector in degrees. Must be
         greater that 0 and less than 360.
     ccw_offset : float
-        Angular offset, :math:`\\alpha`, in the counter-clockwise direction
-        with respect to the first basis axis (+y, +z, or +x) of the
-        clockwise-most side of the sector in degrees. Note that negative values
-        translate to a clockwise offset.
+        Angular offset, :math:`\\alpha`, of the clockwise-most side of the
+        sector in degrees. The offset is in the counter-clockwise direction
+        with respect to the first basis axis (+y, +z, or +x). Note that
+        negative values translate to an offset in the clockwise direction.
     axis : {'x', 'y', 'z'}
-        Central axis of the cylinders defining the inner and outer surfaces
-        of the sector. Defaults to 'z'.
+        Central axis of the cylinders defining the inner and outer surfaces of
+        the sector. Defaults to 'z'.
     **kwargs
         Keyword arguments passed to underlying plane classes.
 

From fc3809c2df6d5705b5167276a39dd0cd98faf199 Mon Sep 17 00:00:00 2001
From: yardasol <oyardas2@illinois.edu>
Date: Tue, 26 Apr 2022 14:28:08 -0500
Subject: [PATCH 0241/2654] add periods

---
 openmc/model/surface_composite.py | 10 +++++-----
 1 file changed, 5 insertions(+), 5 deletions(-)

diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index 0f62c07ac..af84670cf 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -54,7 +54,7 @@ class CompositeSurface(ABC):
 
 
 class CylinderSector(CompositeSurface):
-    """Infinite cylindrical sector composite surface
+    """Infinite cylindrical sector composite surface.
 
     A cylinder sector is composed of two cylindrical and two planar surfaces.
     The cylindrical surfaces are concentric, and the planar surfaces intersect
@@ -68,7 +68,7 @@ class CylinderSector(CompositeSurface):
     ----------
     center : iterable of float
        Coordinate for central axes of cylinders in the (y, z), (z, x), or (x, y)
-       basis. Defaults to (0,0)
+       basis. Defaults to (0,0).
     r1 : float
         Inner radius of sector. Must be less than r2.
     r2 : float
@@ -90,11 +90,11 @@ class CylinderSector(CompositeSurface):
     Attributes
     ----------
     outer_cyl : openmc.ZCylinder, openmc.YCylinder, or openmc.XCylinder
-        Outer cylinder surface
+        Outer cylinder surface.
     inner_cyl : openmc.ZCylinder, openmc.YCylinder, or openmc.XCylinder
-        Inner cylinder surface
+        Inner cylinder surface.
     plane1 : openmc.Plane
-        Plane at angle :math:`\\phi_1 = \\alpha` relative to the first basis axis
+        Plane at angle :math:`\\phi_1 = \\alpha` relative to the first basis axis.
     plane2 : openmc.Plane
         Plane at angle :math:`\\phi_2 = \\alpha + \\theta` relative to the first
         basis axis.

From f6858279123e7ed413df405f22e0cefb1274462c Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 26 Apr 2022 16:41:49 -0500
Subject: [PATCH 0242/2654] Make AtomicRepresentation private (leading
 underscore)

---
 docs/source/pythonapi/data.rst             |  3 +--
 openmc/data/kalbach_mann.py                | 26 +++++++++++-----------
 tests/unit_tests/test_data_kalbach_mann.py | 25 ++++++++++-----------
 3 files changed, 26 insertions(+), 28 deletions(-)

diff --git a/docs/source/pythonapi/data.rst b/docs/source/pythonapi/data.rst
index 471be43d8..a07fa9bc3 100644
--- a/docs/source/pythonapi/data.rst
+++ b/docs/source/pythonapi/data.rst
@@ -24,7 +24,6 @@ and product yields.
     FissionProductYields
     WindowedMultipole
     ProbabilityTables
-    AtomicRepresentation
 
 The following classes are used for storing atomic data (incident photon cross
 sections, atomic relaxation):
@@ -65,11 +64,11 @@ Core Functions
     dose_coefficients
     gnd_name
     isotopes
+    kalbach_slope
     linearize
     thin
     water_density
     zam
-    return_kalbach_slope
 
 One-dimensional Functions
 -------------------------
diff --git a/openmc/data/kalbach_mann.py b/openmc/data/kalbach_mann.py
index 4c6b89e41..10c002234 100644
--- a/openmc/data/kalbach_mann.py
+++ b/openmc/data/kalbach_mann.py
@@ -13,7 +13,7 @@ from .data import EV_PER_MEV
 from .endf import get_list_record, get_tab2_record
 
 
-class AtomicRepresentation(EqualityMixin):
+class _AtomicRepresentation(EqualityMixin):
     """Atomic representation of an isotope or a particle.
 
     Parameters
@@ -56,20 +56,20 @@ class AtomicRepresentation(EqualityMixin):
         self._a = a
 
     def __add__(self, other):
-        """Adds two AtomicRepresentations.
+        """Adds two _AtomicRepresentations.
 
         """
         z = self.z + other.z
         a = self.a + other.a
-        return AtomicRepresentation(z=z, a=a)
+        return _AtomicRepresentation(z=z, a=a)
 
     def __sub__(self, other):
-        """Substracts two AtomicRepresentations.
+        """Substracts two _AtomicRepresentations.
 
         """
         z = self.z - other.z
         a = self.a - other.a
-        return AtomicRepresentation(z=z, a=a)
+        return _AtomicRepresentation(z=z, a=a)
 
     @property
     def a(self):
@@ -89,7 +89,7 @@ class AtomicRepresentation(EqualityMixin):
 
     @classmethod
     def from_za(cls, za):
-        """Instantiates an AtomicRepresentation from a ZA identifier.
+        """Instantiate an _AtomicRepresentation from a ZA identifier.
 
         Parameters
         ----------
@@ -99,7 +99,7 @@ class AtomicRepresentation(EqualityMixin):
 
         Returns
         -------
-        AtomicRepresentation
+        _AtomicRepresentation
             Atomic representation of the isotope/particle
 
         """
@@ -115,11 +115,11 @@ def _separation_energy(compound, nucleus, particle):
 
     Parameters
     ----------
-    compound : AtomicRepresentation
+    compound : _AtomicRepresentation
         Atomic representation of the compound (C)
-    nucleus : AtomicRepresentation
+    nucleus : _AtomicRepresentation
         Atomic representation of the nucleus (A or B)
-    particle : AtomicRepresentation
+    particle : _AtomicRepresentation
         Atomic representation of the particle (a or b)
 
     Returns
@@ -219,9 +219,9 @@ def kalbach_slope(energy_projectile, energy_emitted, za_projectile,
     if za_target == 6000:
         za_target = 6012
 
-    projectile = AtomicRepresentation.from_za(za_projectile)
-    emitted = AtomicRepresentation.from_za(za_emitted)
-    target = AtomicRepresentation.from_za(za_target)
+    projectile = _AtomicRepresentation.from_za(za_projectile)
+    emitted = _AtomicRepresentation.from_za(za_emitted)
+    target = _AtomicRepresentation.from_za(za_target)
     compound = projectile + target
     residual = compound - emitted
 
diff --git a/tests/unit_tests/test_data_kalbach_mann.py b/tests/unit_tests/test_data_kalbach_mann.py
index bd540addb..2a579b703 100644
--- a/tests/unit_tests/test_data_kalbach_mann.py
+++ b/tests/unit_tests/test_data_kalbach_mann.py
@@ -6,8 +6,7 @@ import pytest
 import numpy as np
 
 from openmc.data import IncidentNeutron
-from openmc.data import AtomicRepresentation
-from openmc.data.kalbach_mann import _separation_energy
+from openmc.data.kalbach_mann import _separation_energy, _AtomicRepresentation
 from openmc.data import kalbach_slope
 from openmc.data import KalbachMann
 
@@ -17,43 +16,43 @@ from . import needs_njoy
 @pytest.fixture(scope='module')
 def neutron():
     """Neutron AtomicRepresentation."""
-    return AtomicRepresentation(z=0, a=1)
+    return _AtomicRepresentation(z=0, a=1)
 
 
 @pytest.fixture(scope='module')
 def triton():
     """Triton AtomicRepresentation."""
-    return AtomicRepresentation(z=1, a=3)
+    return _AtomicRepresentation(z=1, a=3)
 
 
 @pytest.fixture(scope='module')
 def b10():
     """B10 AtomicRepresentation."""
-    return AtomicRepresentation(z=5, a=10)
+    return _AtomicRepresentation(z=5, a=10)
 
 
 @pytest.fixture(scope='module')
 def c12():
     """C12 AtomicRepresentation."""
-    return AtomicRepresentation(z=6, a=12)
+    return _AtomicRepresentation(z=6, a=12)
 
 
 @pytest.fixture(scope='module')
 def c13():
     """C13 AtomicRepresentation."""
-    return AtomicRepresentation(z=6, a=13)
+    return _AtomicRepresentation(z=6, a=13)
 
 
 @pytest.fixture(scope='module')
 def na23():
     """Na23 AtomicRepresentation."""
-    return AtomicRepresentation(z=11, a=23)
+    return _AtomicRepresentation(z=11, a=23)
 
 
 def test_atomic_representation(neutron, triton, b10, c12, c13, na23):
     """Test the AtomicRepresentation class."""
     # Test instantiation from_za
-    assert b10 == AtomicRepresentation.from_za(5010)
+    assert b10 == _AtomicRepresentation.from_za(5010)
 
     # Test addition
     assert c13 + b10 == na23
@@ -76,13 +75,13 @@ def test_atomic_representation(neutron, triton, b10, c12, c13, na23):
 
     # Test instanciation errors
     with pytest.raises(ValueError):
-        AtomicRepresentation(z=5, a=1)
+        _AtomicRepresentation(z=5, a=1)
     with pytest.raises(ValueError):
-        AtomicRepresentation(z=-1, a=1)
+        _AtomicRepresentation(z=-1, a=1)
     with pytest.raises(ValueError):
-        AtomicRepresentation(z=5, a=0)
+        _AtomicRepresentation(z=5, a=0)
     with pytest.raises(ValueError):
-        AtomicRepresentation(z=5, a=-2)
+        _AtomicRepresentation(z=5, a=-2)
     with pytest.raises(ValueError):
         neutron - triton
 

From 7ca7b1c7cffd2c7469fc2c869857f6c14bcc133a Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 26 Apr 2022 16:53:17 -0500
Subject: [PATCH 0243/2654] Fix some docstrings

---
 openmc/data/kalbach_mann.py | 10 +++-------
 1 file changed, 3 insertions(+), 7 deletions(-)

diff --git a/openmc/data/kalbach_mann.py b/openmc/data/kalbach_mann.py
index 10c002234..02403b3cc 100644
--- a/openmc/data/kalbach_mann.py
+++ b/openmc/data/kalbach_mann.py
@@ -25,7 +25,7 @@ class _AtomicRepresentation(EqualityMixin):
 
     Raises
     ------
-    IOError
+    ValueError
         When the number of protons (z) declared is higher than the number
         of nucleons (a)
 
@@ -56,17 +56,13 @@ class _AtomicRepresentation(EqualityMixin):
         self._a = a
 
     def __add__(self, other):
-        """Adds two _AtomicRepresentations.
-
-        """
+        """Add two _AtomicRepresentations"""
         z = self.z + other.z
         a = self.a + other.a
         return _AtomicRepresentation(z=z, a=a)
 
     def __sub__(self, other):
-        """Substracts two _AtomicRepresentations.
-
-        """
+        """Substract two _AtomicRepresentations"""
         z = self.z - other.z
         a = self.a - other.a
         return _AtomicRepresentation(z=z, a=a)

From cdc1bd02179f9df7379225cf80af801ed6d5c679 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 26 Apr 2022 17:00:11 -0500
Subject: [PATCH 0244/2654] Changes in njoy.py

---
 openmc/data/njoy.py | 7 ++-----
 1 file changed, 2 insertions(+), 5 deletions(-)

diff --git a/openmc/data/njoy.py b/openmc/data/njoy.py
index fbb26be05..70351a772 100644
--- a/openmc/data/njoy.py
+++ b/openmc/data/njoy.py
@@ -300,7 +300,7 @@ def make_ace(filename, temperatures=None, acer=True, xsdir=None,
         If the ENDF file contains multiple material evaluations, this argument
         indicates which evaluation should be used.
     smoothing : bool, optional
-        If the smoothing option in ACER is on (1) or off (0) in the card 6.
+        If the smoothing option (ACER card 6) is on (True) or off (False).
     **kwargs
         Keyword arguments passed to :func:`openmc.data.njoy.run`
 
@@ -383,10 +383,7 @@ def make_ace(filename, temperatures=None, acer=True, xsdir=None,
 
     # acer
     if acer:
-        if smoothing is True:
-            ismoothing = 1
-        else:
-            ismoothing = 0
+        ismoothing = int(smoothing)
         nacer_in = nlast
         for i, temperature in enumerate(temperatures):
             # Extend input with an ACER run for each temperature

From f4d0440d4f72e911ee59b82665de88336fef07f0 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 26 Apr 2022 17:07:25 -0500
Subject: [PATCH 0245/2654] Remove KM slope NJOY test, other small changes

---
 tests/unit_tests/test_data_kalbach_mann.py | 80 ++++------------------
 1 file changed, 13 insertions(+), 67 deletions(-)

diff --git a/tests/unit_tests/test_data_kalbach_mann.py b/tests/unit_tests/test_data_kalbach_mann.py
index 2a579b703..931e236bd 100644
--- a/tests/unit_tests/test_data_kalbach_mann.py
+++ b/tests/unit_tests/test_data_kalbach_mann.py
@@ -2,7 +2,9 @@
 retrieved from ENDF files."""
 
 import os
+from pathlib import Path
 import pytest
+
 import numpy as np
 
 from openmc.data import IncidentNeutron
@@ -50,7 +52,7 @@ def na23():
 
 
 def test_atomic_representation(neutron, triton, b10, c12, c13, na23):
-    """Test the AtomicRepresentation class."""
+    """Test the _AtomicRepresentation class."""
     # Test instantiation from_za
     assert b10 == _AtomicRepresentation.from_za(5010)
 
@@ -121,10 +123,10 @@ def test_kalbach_slope():
 
 
 @pytest.mark.parametrize(
-    "hdf5_filename, endf_type, endf_filename", [
-        ('O16.h5', 'neutrons', 'n-008_O_016.endf'),
-        ('Ca46.h5', 'neutrons', 'n-020_Ca_046.endf'),
-        ('Hg204.h5', 'neutrons', 'n-080_Hg_204.endf')
+    "hdf5_filename, endf_filename", [
+        ('O16.h5', 'n-008_O_016.endf'),
+        ('Ca46.h5', 'n-020_Ca_046.endf'),
+        ('Hg204.h5', 'n-080_Hg_204.endf')
     ]
 )
 def test_comparison_slope_hdf5(hdf5_filename, endf_type, endf_filename):
@@ -132,7 +134,7 @@ def test_comparison_slope_hdf5(hdf5_filename, endf_type, endf_filename):
     by comparing it to HDF5 data. The test is based on the first product
     of MT=5 (neutron). The isotopes tested have been selected because the
     corresponding products in ENDF/B-VII.1 are described using MF=6, LAW=1,
-    LANG=2 (ie. Kalbach-Mann systematics) and the slope is not given
+    LANG=2 (i.e., Kalbach-Mann systematics) and the slope is not given
     explicitly.
 
     If an error occurs during the "validity check", this means that
@@ -145,15 +147,14 @@ def test_comparison_slope_hdf5(hdf5_filename, endf_type, endf_filename):
 
     """
     # HDF5 data
-    hdf5_directory = os.path.dirname(os.environ['OPENMC_CROSS_SECTIONS'])
-    hdf5_path = os.path.join(hdf5_directory, hdf5_filename)
-    hdf5_data = IncidentNeutron.from_hdf5(hdf5_path)
+    hdf5_directory = Path(os.environ['OPENMC_CROSS_SECTIONS']).parent
+    hdf5_data = IncidentNeutron.from_hdf5(hdf5_directory / hdf5_filename)
     hdf5_product = hdf5_data[5].products[0]
     hdf5_distribution = hdf5_product.distribution[0]
 
     # ENDF data
-    endf_directory = os.environ['OPENMC_ENDF_DATA']
-    endf_path = os.path.join(endf_directory, endf_type, endf_filename)
+    endf_directory = Path(os.environ['OPENMC_ENDF_DATA'])
+    endf_path = endf_directory / 'neutrons' / endf_filename
     endf_data = IncidentNeutron.from_endf(endf_path)
     endf_product = endf_data[5].products[0]
     endf_distribution = endf_product.distribution[0]
@@ -166,65 +167,10 @@ def test_comparison_slope_hdf5(hdf5_filename, endf_type, endf_filename):
 
     # Results check
     for i, hdf5_slope in enumerate(hdf5_distribution.slope):
-
-        assert endf_distribution._calculated_slope[i] is True
+        assert endf_distribution._calculated_slope[i]
 
         np.testing.assert_array_almost_equal(
             endf_distribution.slope[i].y,
             hdf5_slope.y,
             decimal=5
         )
-
-
-@needs_njoy
-@pytest.mark.parametrize(
-    "endf_type, endf_filename", [
-        ('neutrons', 'n-008_O_016.endf'),
-        ('neutrons', 'n-020_Ca_046.endf'),
-        ('neutrons', 'n-080_Hg_204.endf')
-    ]
-)
-def test_comparison_slope_njoy(endf_type, endf_filename):
-    """Test the calculation of the Kalbach-Mann slope done by OpenMC
-    by comparing it to an NJOY calculation. The test is based on
-    the first product of MT=5 (neutron). The isotopes tested have
-    been selected because the corresponding products in ENDF/B-VII.1
-    are described using MF=6, LAW=1, LANG=2 (ie. Kalbach-Mann
-    systematics) and the slope is not given explicitly.
-
-    If an error occurs during the "validity check", this means that
-    the nuclear data evaluation has evolved and the distribution might
-    no longer be described using Kalbach-Mann systematics. Another
-    isotope needs to be identified and tested.
-
-    """
-    endf_directory = os.environ['OPENMC_ENDF_DATA']
-    endf_path = os.path.join(endf_directory, endf_type, endf_filename)
-
-    # ENDF data
-    endf_data = IncidentNeutron.from_endf(endf_path)
-    endf_product = endf_data[5].products[0]
-    endf_distribution = endf_product.distribution[0]
-
-    # NJOY data
-    njoy_data = IncidentNeutron.from_njoy(endf_path, heatr=False, gaspr=False,
-                                          purr=False, smoothing=False)
-    njoy_product = njoy_data[5].products[0]
-    njoy_distribution = njoy_product.distribution[0]
-
-    # Validity check
-    assert isinstance(endf_distribution, KalbachMann)
-    assert isinstance(njoy_distribution, KalbachMann)
-    assert endf_product.particle == njoy_product.particle
-    assert len(endf_distribution.slope) == len(njoy_distribution.slope)
-
-    # Results check
-    for i, njoy_slope in enumerate(njoy_distribution.slope):
-
-        assert endf_distribution._calculated_slope[i] is True
-
-        np.testing.assert_array_almost_equal(
-            endf_distribution.slope[i].y,
-            njoy_slope.y,
-            decimal=5
-        )

From e5016ac96355eb17d5b7c6c3421444ae5041a8f6 Mon Sep 17 00:00:00 2001
From: shimwell <mail@jshimwell.com>
Date: Wed, 27 Apr 2022 15:48:07 +0100
Subject: [PATCH 0246/2654] added scale 44 group structure

---
 openmc/mgxs/__init__.py | 11 ++++++++++-
 1 file changed, 10 insertions(+), 1 deletion(-)

diff --git a/openmc/mgxs/__init__.py b/openmc/mgxs/__init__.py
index 00b644050..386ae9fa8 100644
--- a/openmc/mgxs/__init__.py
+++ b/openmc/mgxs/__init__.py
@@ -13,10 +13,12 @@ GROUP_STRUCTURES = {}
 - "XMAS-172_" designed for LWR analysis ([SAR1990]_, [SAN2004]_)
 - "SHEM-361_" designed for LWR analysis to eliminate self-shielding calculations
   of thermal resonances ([HFA2005]_, [SAN2007]_, [HEB2008]_)
+- "SCALE-44" designed for criticality analysis ([ZAL1999]_)
 - activation_ energy group structures "VITAMIN-J-42", "VITAMIN-J-175",
   "TRIPOLI-315", "CCFE-709_" and "UKAEA-1102_"
 
 .. _CASMO: https://www.studsvik.com/SharepointFiles/CASMO-5%20Development%20and%20Applications.pdf
+.. _SCALE: https://www-nds.iaea.org/publications/indc/indc-czr-0001.pdf
 .. _XMAS-172: https://www-nds.iaea.org/wimsd/energy.htm
 .. _SHEM-361: https://www.polymtl.ca/merlin/downloads/FP214.pdf
 .. _activation: https://fispact.ukaea.uk/wiki/Keyword:GETXS
@@ -41,6 +43,8 @@ GROUP_STRUCTURES = {}
 .. [HEB2008] Hébert, Alain & Santamarina, Alain. (2008). Refinement of the
    Santamarina-Hfaiedh energy mesh between 22.5 eV and 11.4 keV. International
    Conference on the Physics of Reactors 2008, PHYSOR 08. 2. 929-938.
+.. [ZAL1999] K. Záleský and L. Marková (1999), Assessment of Nuclear Data Needs
+   for Broad-Group SCALE Library Related to VVER Spent Fuel Applications, IAEA.
 """
 
 GROUP_STRUCTURES['CASMO-2'] = np.array([
@@ -67,7 +71,12 @@ GROUP_STRUCTURES['VITAMIN-J-42'] = np.array([
     0.2e6, 0.3e6, 0.4e6, 0.45e6, 0.51e6, 0.512e6, 0.6e6, 0.7e6, 0.8e6, 1.e6,
     1.33e6, 1.34e6, 1.5e6, 1.66e6, 2.e6, 2.5e6, 3.e6, 3.5e6, 4.e6, 4.5e6, 5.e6,
     5.5e6, 6.e6, 6.5e6, 7.e6, 7.5e6, 8.e6, 10.e6, 12.e6, 14.e6, 20.e6, 30.e6,
-    50.e6])
+    50.e6]),
+GROUP_STRUCTURES['SCALE-44'] = np.array([3.e-3, 7.5e-3, 1.e-2, 2.53e-2, 3.e-2,
+    4.e-2, 5e-2, 7.e-2, 1.e-1, 1.5e-1, 2.e-1, 2.25e-1, 2.5e-1, 2.75e-1,
+    3.25e-1, 3.5e-1, 3.75e-1, 4.e-1, 6.25e-1, 1., 1.77, 3., 4.75, 6., 8.1,
+    1.e1, 3.e1, 1.e2, 5.5e2, 3.e3, 1.7e4, 2.5e4, 1.e5, 4.e5, 9.e5, 1.4e6,
+    1.85e6, 2.354e6, 2.479e6, 3.e6, 4.8e6, 6.434e6, 8.1873e6, 2.e7]),
 GROUP_STRUCTURES['CASMO-70'] = np.array([
     0., 5.e-3, 1.e-2, 1.5e-2, 2.e-2, 2.5e-2, 3.e-2, 3.5e-2, 4.2e-2,
     5.e-2, 5.8e-2, 6.7e-2, 8.e-2, 1.e-1, 1.4e-1, 1.8e-1, 2.2e-1,

From 252ddc17b0dac598729483e7a8c17d32940b7c9a Mon Sep 17 00:00:00 2001
From: shimwell <mail@jshimwell.com>
Date: Wed, 27 Apr 2022 17:30:38 +0100
Subject: [PATCH 0247/2654] trailing comma and lower bound fixes

---
 openmc/mgxs/__init__.py | 8 ++++----
 1 file changed, 4 insertions(+), 4 deletions(-)

diff --git a/openmc/mgxs/__init__.py b/openmc/mgxs/__init__.py
index 386ae9fa8..133b4c257 100644
--- a/openmc/mgxs/__init__.py
+++ b/openmc/mgxs/__init__.py
@@ -71,12 +71,12 @@ GROUP_STRUCTURES['VITAMIN-J-42'] = np.array([
     0.2e6, 0.3e6, 0.4e6, 0.45e6, 0.51e6, 0.512e6, 0.6e6, 0.7e6, 0.8e6, 1.e6,
     1.33e6, 1.34e6, 1.5e6, 1.66e6, 2.e6, 2.5e6, 3.e6, 3.5e6, 4.e6, 4.5e6, 5.e6,
     5.5e6, 6.e6, 6.5e6, 7.e6, 7.5e6, 8.e6, 10.e6, 12.e6, 14.e6, 20.e6, 30.e6,
-    50.e6]),
-GROUP_STRUCTURES['SCALE-44'] = np.array([3.e-3, 7.5e-3, 1.e-2, 2.53e-2, 3.e-2,
-    4.e-2, 5e-2, 7.e-2, 1.e-1, 1.5e-1, 2.e-1, 2.25e-1, 2.5e-1, 2.75e-1,
+    50.e6])
+GROUP_STRUCTURES['SCALE-44'] = np.array([1e-5, 3.e-3, 7.5e-3, 1.e-2, 2.53e-2,
+    3.e-2, 4.e-2, 5e-2, 7.e-2, 1.e-1, 1.5e-1, 2.e-1, 2.25e-1, 2.5e-1, 2.75e-1,
     3.25e-1, 3.5e-1, 3.75e-1, 4.e-1, 6.25e-1, 1., 1.77, 3., 4.75, 6., 8.1,
     1.e1, 3.e1, 1.e2, 5.5e2, 3.e3, 1.7e4, 2.5e4, 1.e5, 4.e5, 9.e5, 1.4e6,
-    1.85e6, 2.354e6, 2.479e6, 3.e6, 4.8e6, 6.434e6, 8.1873e6, 2.e7]),
+    1.85e6, 2.354e6, 2.479e6, 3.e6, 4.8e6, 6.434e6, 8.1873e6, 2.e7])
 GROUP_STRUCTURES['CASMO-70'] = np.array([
     0., 5.e-3, 1.e-2, 1.5e-2, 2.e-2, 2.5e-2, 3.e-2, 3.5e-2, 4.2e-2,
     5.e-2, 5.8e-2, 6.7e-2, 8.e-2, 1.e-1, 1.4e-1, 1.8e-1, 2.2e-1,

From 41e18a0893ea6ed96ef43c5da1f5fd6d5033d889 Mon Sep 17 00:00:00 2001
From: Adam Nelson <agnelson@anl.gov>
Date: Wed, 27 Apr 2022 12:29:09 -0500
Subject: [PATCH 0248/2654] Making MGXS.print_xs (and inheriting classes) use
 hdf5_key for the printed reaction type when using print_xs as that is more
 descriptive

---
 openmc/mgxs/mdgxs.py |  4 ++--
 openmc/mgxs/mgxs.py  | 16 ++++++----------
 2 files changed, 8 insertions(+), 12 deletions(-)

diff --git a/openmc/mgxs/mdgxs.py b/openmc/mgxs/mdgxs.py
index 13aa924a1..96c687cec 100644
--- a/openmc/mgxs/mdgxs.py
+++ b/openmc/mgxs/mdgxs.py
@@ -605,7 +605,7 @@ class MDGXS(MGXS):
 
         # Build header for string with type and domain info
         string = 'Multi-Delayed-Group XS\n'
-        string += '{0: <16}=\t{1}\n'.format('\tReaction Type', self.rxn_type)
+        string += '{0: <16}=\t{1}\n'.format('\tReaction Type', self.hdf5_key)
         string += '{0: <16}=\t{1}\n'.format('\tDomain Type', self.domain_type)
         string += '{0: <16}=\t{1}\n'.format('\tDomain ID', self.domain.id)
 
@@ -2477,7 +2477,7 @@ class MatrixMDGXS(MDGXS):
 
         # Build header for string with type and domain info
         string = 'Multi-Delayed-Group XS\n'
-        string += '{0: <16}=\t{1}\n'.format('\tReaction Type', self.rxn_type)
+        string += '{0: <16}=\t{1}\n'.format('\tReaction Type', self.hdf5_key)
         string += '{0: <16}=\t{1}\n'.format('\tDomain Type', self.domain_type)
         string += '{0: <16}=\t{1}\n'.format('\tDomain ID', self.domain.id)
 
diff --git a/openmc/mgxs/mgxs.py b/openmc/mgxs/mgxs.py
index fe8883135..55d401e5e 100644
--- a/openmc/mgxs/mgxs.py
+++ b/openmc/mgxs/mgxs.py
@@ -1725,7 +1725,7 @@ class MGXS:
 
         # Build header for string with type and domain info
         string = 'Multi-Group XS\n'
-        string += '{0: <16}=\t{1}\n'.format('\tReaction Type', self.rxn_type)
+        string += '{0: <16}=\t{1}\n'.format('\tReaction Type', self.hdf5_key)
         string += '{0: <16}=\t{1}\n'.format('\tDomain Type', self.domain_type)
         string += '{0: <16}=\t{1}\n'.format('\tDomain ID', self.domain.id)
 
@@ -2534,7 +2534,7 @@ class MatrixMGXS(MGXS):
 
         # Build header for string with type and domain info
         string = 'Multi-Group XS\n'
-        string += '{0: <16}=\t{1}\n'.format('\tReaction Type', self.rxn_type)
+        string += '{0: <16}=\t{1}\n'.format('\tReaction Type', self.hdf5_key)
         string += '{0: <16}=\t{1}\n'.format('\tDomain Type', self.domain_type)
         string += '{0: <16}=\t{1}\n'.format('\tDomain ID', self.domain.id)
 
@@ -5195,9 +5195,9 @@ class ScatterMatrixXS(MatrixMGXS):
         cv.check_value('xs_type', xs_type, ['macro', 'micro'])
 
         if self.correction != 'P0' and self.scatter_format == SCATTER_LEGENDRE:
-            rxn_type = '{0} (P{1})'.format(self.rxn_type, moment)
+            rxn_type = '{0} (P{1})'.format(self.hdf5_key, moment)
         else:
-            rxn_type = self.rxn_type
+            rxn_type = self.hdf5_key
 
         # Build header for string with type and domain info
         string = 'Multi-Group XS\n'
@@ -5953,10 +5953,6 @@ class Chi(MGXS):
                  num_azimuthal=1):
         super().__init__(domain, domain_type, groups, by_nuclide, name,
                          num_polar, num_azimuthal)
-        if not prompt:
-            self._rxn_type = 'chi'
-        else:
-            self._rxn_type = 'chi-prompt'
         self._estimator = 'analog'
         self._valid_estimators = ['analog']
         self.prompt = prompt
@@ -6031,10 +6027,10 @@ class Chi(MGXS):
         cv.check_type('prompt', prompt, bool)
         self._prompt = prompt
         if not self.prompt:
-            self._rxn_type = 'nu-fission'
+            self._rxn_type = 'chi'
             self._hdf5_key = 'chi'
         else:
-            self._rxn_type = 'prompt-nu-fission'
+            self._rxn_type = 'chi-prompt'
             self._hdf5_key = 'chi-prompt'
 
     def get_homogenized_mgxs(self, other_mgxs):

From 51e5d1ccd2ce7b08953c4bb24314e884345e352d Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Wed, 27 Apr 2022 12:56:39 -0500
Subject: [PATCH 0249/2654] make theta1,theta2 formulation the default; add
 alternate constructor for theta,alpha formulation

---
 openmc/model/surface_composite.py          | 102 ++++++++++++++++-----
 tests/unit_tests/test_surface_composite.py |  36 ++++++--
 2 files changed, 106 insertions(+), 32 deletions(-)

diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index af84670cf..d4b25436d 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -66,26 +66,27 @@ class CylinderSector(CompositeSurface):
 
     Parameters
     ----------
-    center : iterable of float
-       Coordinate for central axes of cylinders in the (y, z), (z, x), or (x, y)
-       basis. Defaults to (0,0).
     r1 : float
         Inner radius of sector. Must be less than r2.
     r2 : float
         Outer radius of sector. Must be greater than r1.
-    central_angle : float
-        Central angle, :math:`\\theta`, of the sector in degrees. Must be
-        greater that 0 and less than 360.
-    ccw_offset : float
-        Angular offset, :math:`\\alpha`, of the clockwise-most side of the
-        sector in degrees. The offset is in the counter-clockwise direction
-        with respect to the first basis axis (+y, +z, or +x). Note that
-        negative values translate to an offset in the clockwise direction.
+    theta1 : float
+        Clockwise-most bound of sector in degrees. Assumed to be in the
+        counterclockwise direction with respect to the first basis axis
+        (+y, +z, or +x). Must be less than :attr:`theta2`.
+    theta2 : float
+        Counterclockwise-most bound of sector in degrees. Assumed to be in the
+        counterclockwise direction with respect to the first basis axis
+        (+y, +z, or +x). Must be greater than :attr:`theta1`.
+    center : iterable of float
+       Coordinate for central axes of cylinders in the (y, z), (z, x), or (x, y)
+       basis. Defaults to (0,0).
+
     axis : {'x', 'y', 'z'}
         Central axis of the cylinders defining the inner and outer surfaces of
         the sector. Defaults to 'z'.
-    **kwargs
-        Keyword arguments passed to underlying plane classes.
+    kwargs : dict
+            Keyword arguments passed to the :class:`Cylinder` and :class:`Plane` constructors.
 
     Attributes
     ----------
@@ -94,32 +95,34 @@ class CylinderSector(CompositeSurface):
     inner_cyl : openmc.ZCylinder, openmc.YCylinder, or openmc.XCylinder
         Inner cylinder surface.
     plane1 : openmc.Plane
-        Plane at angle :math:`\\phi_1 = \\alpha` relative to the first basis axis.
+        Plane at angle :math:`\\theta_1` relative to the first basis axis.
     plane2 : openmc.Plane
-        Plane at angle :math:`\\phi_2 = \\alpha + \\theta` relative to the first
-        basis axis.
+        Plane at angle :math:`\\theta_2` relative to the first basis axis.
 
     """
 
     _surface_names = ('outer_cyl', 'inner_cyl', 'plane1', 'plane2')
 
     def __init__(self,
-                 center,
                  r1,
                  r2,
-                 central_angle,
-                 ccw_offset,
+                 theta1,
+                 theta2,
+                 center=(0.,0.),
                  axis='z',
                  **kwargs):
 
         if r2 <= r1 * sqrt(2):
             raise ValueError(f'r2 must be greater than r1.')
 
-        if central_angle >= 360. or central_angle <= 0:
-            raise ValueError(f'theta must be less than 360.')
+        if theta2 <= theta1:
+            raise ValueError(f'theta2 must be greater than theta1.')
 
-        phi1 = pi / 180 * ccw_offset
-        phi2 = pi / 180 * (ccw_offset + central_angle)
+        self._theta1 = theta1
+        self._theta2 = theta2
+
+        phi1 = pi / 180 * theta1
+        phi2 = pi / 180 * theta2
 
         # Coords for axis-perpendicular planes
         p1 = np.array([0., 0., 1.])
@@ -152,6 +155,59 @@ class CylinderSector(CompositeSurface):
         self.plane2 = openmc.Plane.from_points(p1, p2_plane2, p3_plane2,
                                                **kwargs)
 
+    @classmethod
+    def from_theta_alpha(cls,
+                         r1,
+                         r2,
+                         theta,
+                         alpha,
+                         center = (0.,0.),
+                         axis='z',
+                         **kwargs):
+        """Alternate constructor for :attr:`CylinderSector`. Returns an
+        :attr:`CylinderSector` object based on a central angle :math:`\\theta`
+        and an angular offset :math:`\\alpha`. Note that
+        :math:`\\theta_1 = \\alpha` and :math:`\\theta_2 = \\alpha + \\theta`.
+
+        Parameters
+        ----------
+        r1 : float
+            Inner radius of sector. Must be less than r2.
+        r2 : float
+            Outer radius of sector. Must be greater than r1.
+        theta : float
+            Central angle, :math:`\\theta`, of the sector in degrees. Must be
+            greater that 0 and less than 360.
+        alpha : float
+            Angular offset, :math:`\\alpha`, of sector in degrees.
+            The offset is in the counter-clockwise direction
+            with respect to the first basis axis (+y, +z, or +x). Note that
+            negative values translate to an offset in the clockwise direction.
+        center : iterable of float
+            Coordinate for central axes of cylinders in the (y, z), (z, x), or (x, y)
+            basis. Defaults to (0,0).
+
+        axis : {'x', 'y', 'z'}
+            Central axis of the cylinders defining the inner and outer surfaces of
+            the sector. Defaults to 'z'.
+
+        kwargs : dict
+            Keyword arguments passed to the :class:`Cylinder` and :class:`Plane` constructors.
+
+        Returns
+        -------
+        CylinderSector
+            CylinderSector with the given central angle at the given
+            offset.
+        """
+        if theta >= 360. or theta <= 0:
+            raise ValueError(f'theta must be less than 360 and greater than 0.')
+
+        theta1 = alpha
+        theta2 = alpha + theta
+
+        return cls(r1, r2, theta1, theta2, center=center, axis=axis, **kwargs)
+
     def __neg__(self):
         return -self.outer_cyl & +self.inner_cyl & -self.plane1 & +self.plane2
 
diff --git a/tests/unit_tests/test_surface_composite.py b/tests/unit_tests/test_surface_composite.py
index 458f11c60..d4c180d26 100644
--- a/tests/unit_tests/test_surface_composite.py
+++ b/tests/unit_tests/test_surface_composite.py
@@ -161,12 +161,11 @@ def test_cone_one_sided(axis, point_pos, point_neg, ll_true):
     ]
 )
 def test_cylinder_sector(axis, indices):
-    center = [0., 0.]
     r1, r2 = 0.5, 1.5
     d = (r2 - r1) / 2
-    central_angle = 120.
-    ccw_offset = -60.
-    s = openmc.model.CylinderSector(center, r1, r2, central_angle, ccw_offset,
+    phi1 = -60.
+    phi2 = 60
+    s = openmc.model.CylinderSector(r1, r2, phi1, phi2,
                                     axis=axis.lower())
     assert isinstance(s.outer_cyl, getattr(openmc, axis + "Cylinder"))
     assert isinstance(s.inner_cyl, getattr(openmc, axis + "Cylinder"))
@@ -206,18 +205,37 @@ def test_cylinder_sector(axis, indices):
 
     # Check invalid r1, r2 combinations
     with pytest.raises(ValueError):
-        openmc.model.CylinderSector(center, 10., 1., central_angle, ccw_offset)
+        openmc.model.CylinderSector(r2, r1, phi1, phi2)
 
-    # Check invalid sector width
+    # Check invalid angles
     with pytest.raises(ValueError):
-        openmc.model.CylinderSector(center, 1., 10., 360, ccw_offset)
-    with pytest.raises(ValueError):
-        openmc.model.CylinderSector(center, 1., 10., -1, ccw_offset)
+        openmc.model.CylinderSector(r1, r2, phi2, phi1)
 
     # Make sure repr works
     repr(s)
 
 
+def test_cylinder_sector_from_theta_alpha():
+    r1, r2 = 0.5, 1.5
+    d = (r2 - r1) / 2
+    theta = 120.
+    alpha = -60.
+    s = openmc.model.CylinderSector.from_theta_alpha(r1,
+                                                     r2,
+                                                     theta,
+                                                     alpha)
+
+    # Check that the angles are correct
+    assert s._theta1 == alpha
+    assert s._theta2 == alpha + theta
+
+    # Check invalid sector width
+    with pytest.raises(ValueError):
+        openmc.model.CylinderSector.from_theta_alpha(r1, r2, 360, alpha)
+    with pytest.raises(ValueError):
+        openmc.model.CylinderSector.from_theta_alpha(r1, r2, -1, alpha)
+
+
 @pytest.mark.parametrize(
     "axis, plane_tb, plane_lr, axis_idx", [
         ("x", "Z", "Y", 0),

From deae584408a45dd4ec6fa19fad7fa6e92f87a4c7 Mon Sep 17 00:00:00 2001
From: Adam Nelson <agnelson@anl.gov>
Date: Wed, 27 Apr 2022 12:58:41 -0500
Subject: [PATCH 0250/2654] Renaming MGXS.hdf5_key to MGXS.mgxs_type and adding
 a deprecation warning for MGXS.hdf5_key by using a property which gives the
 warning then uses MGXS.mgxs_type

---
 openmc/mgxs/mdgxs.py |  74 +++++++++++--
 openmc/mgxs/mgxs.py  | 254 +++++++++++++++++++++++++++++++++++--------
 2 files changed, 276 insertions(+), 52 deletions(-)

diff --git a/openmc/mgxs/mdgxs.py b/openmc/mgxs/mdgxs.py
index 96c687cec..c59c8ff5c 100644
--- a/openmc/mgxs/mdgxs.py
+++ b/openmc/mgxs/mdgxs.py
@@ -120,8 +120,16 @@ class MDGXS(MGXS):
         Whether or not a statepoint file has been loaded with tally data
     derived : bool
         Whether or not the MGXS is merged from one or more other MGXS
+    mgxs_type : str
+        The name of this MGXS type, to be used when printing and
+        indexing in an HDF5 data store
+
+        .. versionadded:: 0.14
     hdf5_key : str
-        The key used to index multi-group cross sections in an HDF5 data store
+        The key used to index multi-group cross sections in an HDF5 data store.
+        This will be replaced by mgxs_type in the future.
+
+        .. deprecated:: 0.13.0
 
     """
 
@@ -605,7 +613,7 @@ class MDGXS(MGXS):
 
         # Build header for string with type and domain info
         string = 'Multi-Delayed-Group XS\n'
-        string += '{0: <16}=\t{1}\n'.format('\tReaction Type', self.hdf5_key)
+        string += '{0: <16}=\t{1}\n'.format('\tReaction Type', self.mgxs_type)
         string += '{0: <16}=\t{1}\n'.format('\tDomain Type', self.domain_type)
         string += '{0: <16}=\t{1}\n'.format('\tDomain ID', self.domain.id)
 
@@ -1000,8 +1008,16 @@ class ChiDelayed(MDGXS):
         Whether or not a statepoint file has been loaded with tally data
     derived : bool
         Whether or not the MGXS is merged from one or more other MGXS
+    mgxs_type : str
+        The name of this MGXS type, to be used when printing and
+        indexing in an HDF5 data store
+
+        .. versionadded:: 0.14
     hdf5_key : str
-        The key used to index multi-group cross sections in an HDF5 data store
+        The key used to index multi-group cross sections in an HDF5 data store.
+        This will be replaced by mgxs_type in the future.
+
+        .. deprecated:: 0.13.0
 
     """
 
@@ -1516,8 +1532,16 @@ class DelayedNuFissionXS(MDGXS):
         Whether or not a statepoint file has been loaded with tally data
     derived : bool
         Whether or not the MGXS is merged from one or more other MGXS
+    mgxs_type : str
+        The name of this MGXS type, to be used when printing and
+        indexing in an HDF5 data store
+
+        .. versionadded:: 0.14
     hdf5_key : str
-        The key used to index multi-group cross sections in an HDF5 data store
+        The key used to index multi-group cross sections in an HDF5 data store.
+        This will be replaced by mgxs_type in the future.
+
+        .. deprecated:: 0.13.0
 
     """
 
@@ -1652,8 +1676,16 @@ class Beta(MDGXS):
         Whether or not a statepoint file has been loaded with tally data
     derived : bool
         Whether or not the MGXS is merged from one or more other MGXS
+    mgxs_type : str
+        The name of this MGXS type, to be used when printing and
+        indexing in an HDF5 data store
+
+        .. versionadded:: 0.14
     hdf5_key : str
-        The key used to index multi-group cross sections in an HDF5 data store
+        The key used to index multi-group cross sections in an HDF5 data store.
+        This will be replaced by mgxs_type in the future.
+
+        .. deprecated:: 0.13.0
 
     """
 
@@ -1842,8 +1874,16 @@ class DecayRate(MDGXS):
         Whether or not a statepoint file has been loaded with tally data
     derived : bool
         Whether or not the MGXS is merged from one or more other MGXS
+    mgxs_type : str
+        The name of this MGXS type, to be used when printing and
+        indexing in an HDF5 data store
+
+        .. versionadded:: 0.14
     hdf5_key : str
-        The key used to index multi-group cross sections in an HDF5 data store
+        The key used to index multi-group cross sections in an HDF5 data store.
+        This will be replaced by mgxs_type in the future.
+
+        .. deprecated:: 0.13.0
 
     """
 
@@ -2152,8 +2192,16 @@ class MatrixMDGXS(MDGXS):
         Whether or not a statepoint file has been loaded with tally data
     derived : bool
         Whether or not the MGXS is merged from one or more other MGXS
+    mgxs_type : str
+        The name of this MGXS type, to be used when printing and
+        indexing in an HDF5 data store
+
+        .. versionadded:: 0.14
     hdf5_key : str
-        The key used to index multi-group cross sections in an HDF5 data store
+        The key used to index multi-group cross sections in an HDF5 data store.
+        This will be replaced by mgxs_type in the future.
+
+        .. deprecated:: 0.13.0
 
     """
 
@@ -2477,7 +2525,7 @@ class MatrixMDGXS(MDGXS):
 
         # Build header for string with type and domain info
         string = 'Multi-Delayed-Group XS\n'
-        string += '{0: <16}=\t{1}\n'.format('\tReaction Type', self.hdf5_key)
+        string += '{0: <16}=\t{1}\n'.format('\tReaction Type', self.mgxs_type)
         string += '{0: <16}=\t{1}\n'.format('\tDomain Type', self.domain_type)
         string += '{0: <16}=\t{1}\n'.format('\tDomain ID', self.domain.id)
 
@@ -2748,8 +2796,16 @@ class DelayedNuFissionMatrixXS(MatrixMDGXS):
         Whether or not a statepoint file has been loaded with tally data
     derived : bool
         Whether or not the MGXS is merged from one or more other MGXS
+    mgxs_type : str
+        The name of this MGXS type, to be used when printing and
+        indexing in an HDF5 data store
+
+        .. versionadded:: 0.14
     hdf5_key : str
-        The key used to index multi-group cross sections in an HDF5 data store
+        The key used to index multi-group cross sections in an HDF5 data store.
+        This will be replaced by mgxs_type in the future.
+
+        .. deprecated:: 0.13.0
 
     """
 
diff --git a/openmc/mgxs/mgxs.py b/openmc/mgxs/mgxs.py
index 55d401e5e..ff55b882a 100644
--- a/openmc/mgxs/mgxs.py
+++ b/openmc/mgxs/mgxs.py
@@ -237,8 +237,16 @@ class MGXS:
         Whether or not a statepoint file has been loaded with tally data
     derived : bool
         Whether or not the MGXS is merged from one or more other MGXS
+    mgxs_type : str
+        The name of this MGXS type, to be used when printing and
+        indexing in an HDF5 data store
+
+        .. versionadded:: 0.14
     hdf5_key : str
-        The key used to index multi-group cross sections in an HDF5 data store
+        The key used to index multi-group cross sections in an HDF5 data store.
+        This will be replaced by mgxs_type in the future.
+
+        .. deprecated:: 0.13.0
 
     """
 
@@ -266,7 +274,7 @@ class MGXS:
         self._sparse = False
         self._loaded_sp = False
         self._derived = False
-        self._hdf5_key = None
+        self._mgxs_type = None
         self._valid_estimators = ESTIMATOR_TYPES
 
         self.name = name
@@ -305,7 +313,7 @@ class MGXS:
         clone._sparse = self.sparse
         clone._loaded_sp = self._loaded_sp
         clone._derived = self.derived
-        clone._hdf5_key = self._hdf5_key
+        clone._mgxs_type = self._mgxs_type
 
         clone._tallies = OrderedDict()
         for tally_type, tally in self.tallies.items():
@@ -609,12 +617,20 @@ class MGXS:
         return self._derived
 
     @property
-    def hdf5_key(self):
-        if self._hdf5_key is not None:
-            return self._hdf5_key
+    def mgxs_type(self):
+        if self._mgxs_type is not None:
+            return self._mgxs_type
         else:
             return self._rxn_type
 
+    @property
+    def hdf5_key(self):
+        warnings.warn(
+            f'The {type(self).__name__}.hdf5_key attribute will be removed '
+            f'in the future! Use {type(self).__name__}.mgxs_type instead',
+            DeprecationWarning)
+        return self.mgxs_type
+
     @name.setter
     def name(self, name):
         cv.check_type('name', name, str)
@@ -1725,7 +1741,7 @@ class MGXS:
 
         # Build header for string with type and domain info
         string = 'Multi-Group XS\n'
-        string += '{0: <16}=\t{1}\n'.format('\tReaction Type', self.hdf5_key)
+        string += '{0: <16}=\t{1}\n'.format('\tReaction Type', self.mgxs_type)
         string += '{0: <16}=\t{1}\n'.format('\tDomain Type', self.domain_type)
         string += '{0: <16}=\t{1}\n'.format('\tDomain ID', self.domain.id)
 
@@ -1912,7 +1928,7 @@ class MGXS:
                 subdomain_group = domain_group
 
             # Create a separate HDF5 group for this cross section
-            rxn_group = subdomain_group.require_group(self.hdf5_key)
+            rxn_group = subdomain_group.require_group(self.mgxs_type)
 
             # Create a separate HDF5 group for each nuclide
             for j, nuclide in enumerate(nuclides):
@@ -2238,8 +2254,16 @@ class MatrixMGXS(MGXS):
         Whether or not a statepoint file has been loaded with tally data
     derived : bool
         Whether or not the MGXS is merged from one or more other MGXS
+    mgxs_type : str
+        The name of this MGXS type, to be used when printing and
+        indexing in an HDF5 data store
+
+        .. versionadded:: 0.14
     hdf5_key : str
-        The key used to index multi-group cross sections in an HDF5 data store
+        The key used to index multi-group cross sections in an HDF5 data store.
+        This will be replaced by mgxs_type in the future.
+
+        .. deprecated:: 0.13.0
 
     """
     @property
@@ -2534,7 +2558,7 @@ class MatrixMGXS(MGXS):
 
         # Build header for string with type and domain info
         string = 'Multi-Group XS\n'
-        string += '{0: <16}=\t{1}\n'.format('\tReaction Type', self.hdf5_key)
+        string += '{0: <16}=\t{1}\n'.format('\tReaction Type', self.mgxs_type)
         string += '{0: <16}=\t{1}\n'.format('\tDomain Type', self.domain_type)
         string += '{0: <16}=\t{1}\n'.format('\tDomain ID', self.domain.id)
 
@@ -2732,8 +2756,16 @@ class TotalXS(MGXS):
         Whether or not a statepoint file has been loaded with tally data
     derived : bool
         Whether or not the MGXS is merged from one or more other MGXS
+    mgxs_type : str
+        The name of this MGXS type, to be used when printing and
+        indexing in an HDF5 data store
+
+        .. versionadded:: 0.14
     hdf5_key : str
-        The key used to index multi-group cross sections in an HDF5 data store
+        The key used to index multi-group cross sections in an HDF5 data store.
+        This will be replaced by mgxs_type in the future.
+
+        .. deprecated:: 0.13.0
 
     """
 
@@ -2870,8 +2902,16 @@ class TransportXS(MGXS):
         Whether or not a statepoint file has been loaded with tally data
     derived : bool
         Whether or not the MGXS is merged from one or more other MGXS
+    mgxs_type : str
+        The name of this MGXS type, to be used when printing and
+        indexing in an HDF5 data store
+
+        .. versionadded:: 0.14
     hdf5_key : str
-        The key used to index multi-group cross sections in an HDF5 data store
+        The key used to index multi-group cross sections in an HDF5 data store.
+        This will be replaced by mgxs_type in the future.
+
+        .. deprecated:: 0.13.0
 
     """
 
@@ -3108,8 +3148,16 @@ class DiffusionCoefficient(TransportXS):
         Whether or not a statepoint file has been loaded with tally data
     derived : bool
         Whether or not the MGXS is merged from one or more other MGXS
+    mgxs_type : str
+        The name of this MGXS type, to be used when printing and
+        indexing in an HDF5 data store
+
+        .. versionadded:: 0.14
     hdf5_key : str
-        The key used to index multi-group cross sections in an HDF5 data store
+        The key used to index multi-group cross sections in an HDF5 data store.
+        This will be replaced by mgxs_type in the future.
+
+        .. deprecated:: 0.13.0
 
     """
 
@@ -3291,8 +3339,16 @@ class AbsorptionXS(MGXS):
         Whether or not a statepoint file has been loaded with tally data
     derived : bool
         Whether or not the MGXS is merged from one or more other MGXS
+    mgxs_type : str
+        The name of this MGXS type, to be used when printing and
+        indexing in an HDF5 data store
+
+        .. versionadded:: 0.14
     hdf5_key : str
-        The key used to index multi-group cross sections in an HDF5 data store
+        The key used to index multi-group cross sections in an HDF5 data store.
+        This will be replaced by mgxs_type in the future.
+
+        .. deprecated:: 0.13.0
 
     """
 
@@ -3417,8 +3473,16 @@ class CaptureXS(MGXS):
         Whether or not a statepoint file has been loaded with tally data
     derived : bool
         Whether or not the MGXS is merged from one or more other MGXS
+    mgxs_type : str
+        The name of this MGXS type, to be used when printing and
+        indexing in an HDF5 data store
+
+        .. versionadded:: 0.14
     hdf5_key : str
-        The key used to index multi-group cross sections in an HDF5 data store
+        The key used to index multi-group cross sections in an HDF5 data store.
+        This will be replaced by mgxs_type in the future.
+
+        .. deprecated:: 0.13.0
 
     """
 
@@ -3570,8 +3634,16 @@ class FissionXS(MGXS):
         Whether or not a statepoint file has been loaded with tally data
     derived : bool
         Whether or not the MGXS is merged from one or more other MGXS
+    mgxs_type : str
+        The name of this MGXS type, to be used when printing and
+        indexing in an HDF5 data store
+
+        .. versionadded:: 0.14
     hdf5_key : str
-        The key used to index multi-group cross sections in an HDF5 data store
+        The key used to index multi-group cross sections in an HDF5 data store.
+        This will be replaced by mgxs_type in the future.
+
+        .. deprecated:: 0.13.0
 
     """
 
@@ -3738,8 +3810,16 @@ class KappaFissionXS(MGXS):
         Whether or not a statepoint file has been loaded with tally data
     derived : bool
         Whether or not the MGXS is merged from one or more other MGXS
+    mgxs_type : str
+        The name of this MGXS type, to be used when printing and
+        indexing in an HDF5 data store
+
+        .. versionadded:: 0.14
     hdf5_key : str
-        The key used to index multi-group cross sections in an HDF5 data store
+        The key used to index multi-group cross sections in an HDF5 data store.
+        This will be replaced by mgxs_type in the future.
+
+        .. deprecated:: 0.13.0
 
     """
 
@@ -3869,8 +3949,16 @@ class ScatterXS(MGXS):
         Whether or not a statepoint file has been loaded with tally data
     derived : bool
         Whether or not the MGXS is merged from one or more other MGXS
+    mgxs_type : str
+        The name of this MGXS type, to be used when printing and
+        indexing in an HDF5 data store
+
+        .. versionadded:: 0.14
     hdf5_key : str
-        The key used to index multi-group cross sections in an HDF5 data store
+        The key used to index multi-group cross sections in an HDF5 data store.
+        This will be replaced by mgxs_type in the future.
+
+        .. deprecated:: 0.13.0
 
     """
 
@@ -4013,8 +4101,16 @@ class ArbitraryXS(MGXS):
         Whether or not a statepoint file has been loaded with tally data
     derived : bool
         Whether or not the MGXS is merged from one or more other MGXS
+    mgxs_type : str
+        The name of this MGXS type, to be used when printing and
+        indexing in an HDF5 data store
+
+        .. versionadded:: 0.14
     hdf5_key : str
-        The key used to index multi-group cross sections in an HDF5 data store
+        The key used to index multi-group cross sections in an HDF5 data store.
+        This will be replaced by mgxs_type in the future.
+
+        .. deprecated:: 0.13.0
 
     """
 
@@ -4145,8 +4241,16 @@ class ArbitraryMatrixXS(MatrixMGXS):
         Whether or not a statepoint file has been loaded with tally data
     derived : bool
         Whether or not the MGXS is merged from one or more other MGXS
+    mgxs_type : str
+        The name of this MGXS type, to be used when printing and
+        indexing in an HDF5 data store
+
+        .. versionadded:: 0.14
     hdf5_key : str
-        The key used to index multi-group cross sections in an HDF5 data store
+        The key used to index multi-group cross sections in an HDF5 data store.
+        This will be replaced by mgxs_type in the future.
+
+        .. deprecated:: 0.13.0
 
     """
 
@@ -4347,8 +4451,16 @@ class ScatterMatrixXS(MatrixMGXS):
         Whether or not a statepoint file has been loaded with tally data
     derived : bool
         Whether or not the MGXS is merged from one or more other MGXS
+    mgxs_type : str
+        The name of this MGXS type, to be used when printing and
+        indexing in an HDF5 data store
+
+        .. versionadded:: 0.14
     hdf5_key : str
-        The key used to index multi-group cross sections in an HDF5 data store
+        The key used to index multi-group cross sections in an HDF5 data store.
+        This will be replaced by mgxs_type in the future.
+
+        .. deprecated:: 0.13.0
 
     """
 
@@ -4705,17 +4817,17 @@ class ScatterMatrixXS(MatrixMGXS):
         if self.formulation == 'simple':
             if not nu:
                 self._rxn_type = 'scatter'
-                self._hdf5_key = 'scatter matrix'
+                self._mgxs_type = 'scatter matrix'
             else:
                 self._rxn_type = 'nu-scatter'
-                self._hdf5_key = 'nu-scatter matrix'
+                self._mgxs_type = 'nu-scatter matrix'
         else:
             if not nu:
                 self._rxn_type = 'scatter'
-                self._hdf5_key = 'consistent scatter matrix'
+                self._mgxs_type = 'consistent scatter matrix'
             else:
                 self._rxn_type = 'nu-scatter'
-                self._hdf5_key = 'consistent nu-scatter matrix'
+                self._mgxs_type = 'consistent nu-scatter matrix'
 
     @formulation.setter
     def formulation(self, formulation):
@@ -4725,15 +4837,15 @@ class ScatterMatrixXS(MatrixMGXS):
         if self.formulation == 'simple':
             self._valid_estimators = ['analog']
             if not self.nu:
-                self._hdf5_key = 'scatter matrix'
+                self._mgxs_type = 'scatter matrix'
             else:
-                self._hdf5_key = 'nu-scatter matrix'
+                self._mgxs_type = 'nu-scatter matrix'
         else:
             self._valid_estimators = ['tracklength']
             if not self.nu:
-                self._hdf5_key = 'consistent scatter matrix'
+                self._mgxs_type = 'consistent scatter matrix'
             else:
-                self._hdf5_key = 'consistent nu-scatter matrix'
+                self._mgxs_type = 'consistent nu-scatter matrix'
 
     @correction.setter
     def correction(self, correction):
@@ -5195,9 +5307,9 @@ class ScatterMatrixXS(MatrixMGXS):
         cv.check_value('xs_type', xs_type, ['macro', 'micro'])
 
         if self.correction != 'P0' and self.scatter_format == SCATTER_LEGENDRE:
-            rxn_type = '{0} (P{1})'.format(self.hdf5_key, moment)
+            rxn_type = '{0} (P{1})'.format(self.mgxs_type, moment)
         else:
-            rxn_type = self.hdf5_key
+            rxn_type = self.mgxs_type
 
         # Build header for string with type and domain info
         string = 'Multi-Group XS\n'
@@ -5434,8 +5546,16 @@ class MultiplicityMatrixXS(MatrixMGXS):
         Whether or not a statepoint file has been loaded with tally data
     derived : bool
         Whether or not the MGXS is merged from one or more other MGXS
+    mgxs_type : str
+        The name of this MGXS type, to be used when printing and
+        indexing in an HDF5 data store
+
+        .. versionadded:: 0.14
     hdf5_key : str
-        The key used to index multi-group cross sections in an HDF5 data store
+        The key used to index multi-group cross sections in an HDF5 data store.
+        This will be replaced by mgxs_type in the future.
+
+        .. deprecated:: 0.13.0
 
     """
 
@@ -5607,8 +5727,16 @@ class ScatterProbabilityMatrix(MatrixMGXS):
         Whether or not a statepoint file has been loaded with tally data
     derived : bool
         Whether or not the MGXS is merged from one or more other MGXS
+    mgxs_type : str
+        The name of this MGXS type, to be used when printing and
+        indexing in an HDF5 data store
+
+        .. versionadded:: 0.14
     hdf5_key : str
-        The key used to index multi-group cross sections in an HDF5 data store
+        The key used to index multi-group cross sections in an HDF5 data store.
+        This will be replaced by mgxs_type in the future.
+
+        .. deprecated:: 0.13.0
 
     """
 
@@ -5622,7 +5750,7 @@ class ScatterProbabilityMatrix(MatrixMGXS):
         super().__init__(domain, domain_type, groups, by_nuclide,
                          name, num_polar, num_azimuthal)
         self._rxn_type = 'scatter'
-        self._hdf5_key = 'scatter probability matrix'
+        self._mgxs_type = 'scatter probability matrix'
         self._estimator = 'analog'
         self._valid_estimators = ['analog']
 
@@ -5780,8 +5908,16 @@ class NuFissionMatrixXS(MatrixMGXS):
         Whether or not a statepoint file has been loaded with tally data
     derived : bool
         Whether or not the MGXS is merged from one or more other MGXS
+    mgxs_type : str
+        The name of this MGXS type, to be used when printing and
+        indexing in an HDF5 data store
+
+        .. versionadded:: 0.14
     hdf5_key : str
-        The key used to index multi-group cross sections in an HDF5 data store
+        The key used to index multi-group cross sections in an HDF5 data store.
+        This will be replaced by mgxs_type in the future.
+
+        .. deprecated:: 0.13.0
 
     """
 
@@ -5792,10 +5928,10 @@ class NuFissionMatrixXS(MatrixMGXS):
                          num_polar, num_azimuthal)
         if not prompt:
             self._rxn_type = 'nu-fission'
-            self._hdf5_key = 'nu-fission matrix'
+            self._mgxs_type = 'nu-fission matrix'
         else:
             self._rxn_type = 'prompt-nu-fission'
-            self._hdf5_key = 'prompt-nu-fission matrix'
+            self._mgxs_type = 'prompt-nu-fission matrix'
         self._estimator = 'analog'
         self._valid_estimators = ['analog']
         self.prompt = prompt
@@ -5938,8 +6074,16 @@ class Chi(MGXS):
         Whether or not a statepoint file has been loaded with tally data
     derived : bool
         Whether or not the MGXS is merged from one or more other MGXS
+    mgxs_type : str
+        The name of this MGXS type, to be used when printing and
+        indexing in an HDF5 data store
+
+        .. versionadded:: 0.14
     hdf5_key : str
-        The key used to index multi-group cross sections in an HDF5 data store
+        The key used to index multi-group cross sections in an HDF5 data store.
+        This will be replaced by mgxs_type in the future.
+
+        .. deprecated:: 0.13.0
 
     """
 
@@ -6028,10 +6172,10 @@ class Chi(MGXS):
         self._prompt = prompt
         if not self.prompt:
             self._rxn_type = 'chi'
-            self._hdf5_key = 'chi'
+            self._mgxs_type = 'chi'
         else:
             self._rxn_type = 'chi-prompt'
-            self._hdf5_key = 'chi-prompt'
+            self._mgxs_type = 'chi-prompt'
 
     def get_homogenized_mgxs(self, other_mgxs):
         """Construct a homogenized mgxs with other MGXS objects.
@@ -6461,8 +6605,16 @@ class InverseVelocity(MGXS):
         Whether or not a statepoint file has been loaded with tally data
     derived : bool
         Whether or not the MGXS is merged from one or more other MGXS
+    mgxs_type : str
+        The name of this MGXS type, to be used when printing and
+        indexing in an HDF5 data store
+
+        .. versionadded:: 0.14
     hdf5_key : str
-        The key used to index multi-group cross sections in an HDF5 data store
+        The key used to index multi-group cross sections in an HDF5 data store.
+        This will be replaced by mgxs_type in the future.
+
+        .. deprecated:: 0.13.0
 
     """
 
@@ -6580,8 +6732,16 @@ class MeshSurfaceMGXS(MGXS):
         Whether or not a statepoint file has been loaded with tally data
     derived : bool
         Whether or not the MGXS is merged from one or more other MGXS
+    mgxs_type : str
+        The name of this MGXS type, to be used when printing and
+        indexing in an HDF5 data store
+
+        .. versionadded:: 0.14
     hdf5_key : str
-        The key used to index multi-group cross sections in an HDF5 data store
+        The key used to index multi-group cross sections in an HDF5 data store.
+        This will be replaced by mgxs_type in the future.
+
+        .. deprecated:: 0.13.0
     """
 
     def __init__(self, domain=None, domain_type=None, energy_groups=None,
@@ -6966,8 +7126,16 @@ class Current(MeshSurfaceMGXS):
         Whether or not a statepoint file has been loaded with tally data
     derived : bool
         Whether or not the MGXS is merged from one or more other MGXS
+    mgxs_type : str
+        The name of this MGXS type, to be used when printing and
+        indexing in an HDF5 data store
+
+        .. versionadded:: 0.14
     hdf5_key : str
-        The key used to index multi-group cross sections in an HDF5 data store
+        The key used to index multi-group cross sections in an HDF5 data store.
+        This will be replaced by mgxs_type in the future.
+
+        .. deprecated:: 0.13.0
     """
 
     def __init__(self, domain=None, domain_type=None,

From ee37d8e2bf1aa558584968971e4da888d8a7e13c Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 27 Apr 2022 23:35:54 -0500
Subject: [PATCH 0251/2654] Add time_units argument to
 ResultsList.get_eigenvalue

---
 openmc/deplete/results_list.py               | 47 +++++++++++---------
 tests/unit_tests/test_deplete_resultslist.py |  2 +
 2 files changed, 27 insertions(+), 22 deletions(-)

diff --git a/openmc/deplete/results_list.py b/openmc/deplete/results_list.py
index a9e55c177..3265f22f8 100644
--- a/openmc/deplete/results_list.py
+++ b/openmc/deplete/results_list.py
@@ -14,6 +14,17 @@ from openmc.exceptions import DataError, InvalidArgumentError
 __all__ = ["ResultsList"]
 
 
+def _get_time_as(seconds, units):
+    if units == "d":
+        return seconds / (60 * 60 * 24)
+    elif units == "h":
+        return seconds / (60 * 60)
+    elif units == "min":
+        return seconds / 60
+    else:
+        return seconds
+
+
 class ResultsList(list):
     """A list of openmc.deplete.Results objects
 
@@ -99,13 +110,7 @@ class ResultsList(list):
             concentrations[i] = result[0, mat_id, nuc]
 
         # Unit conversions
-        if time_units == "d":
-            times /= (60 * 60 * 24)
-        elif time_units == "h":
-            times /= (60 * 60)
-        elif time_units == "min":
-            times /= 60
-
+        times = _get_time_as(times, time_units)
         if nuc_units != "atoms":
             # Divide by volume to get density
             concentrations /= self[0].volume[mat_id]
@@ -160,19 +165,26 @@ class ResultsList(list):
 
         return times, rates
 
-    def get_eigenvalue(self):
+    def get_eigenvalue(self, time_units='s'):
         """Evaluates the eigenvalue from a results list.
 
+        Parameters
+        ----------
+        time_units : {"s", "d", "h", "min"}, optional
+            Desired units for the times array
+
         Returns
         -------
         times : numpy.ndarray
-            Array of times in [s]
+            Array of times in specified units
         eigenvalues : numpy.ndarray
             k-eigenvalue at each time. Column 0
             contains the eigenvalue, while column
             1 contains the associated uncertainty
 
         """
+        cv.check_value("time_units", time_units, {"s", "d", "min", "h"})
+
         times = np.empty_like(self, dtype=float)
         eigenvalues = np.empty((len(self), 2), dtype=float)
 
@@ -181,6 +193,8 @@ class ResultsList(list):
             times[i] = result.time[0]
             eigenvalues[i] = result.k[0]
 
+        # Convert time units if necessary
+        times = _get_time_as(times, time_units)
         return times, eigenvalues
 
     def get_depletion_time(self):
@@ -230,7 +244,7 @@ class ResultsList(list):
             1-D vector of time points
 
         """
-        cv.check_type("time_units", time_units, str)
+        cv.check_value("time_units", time_units, {"s", "d", "min", "h"})
 
         times = np.fromiter(
             (r.time[0] for r in self),
@@ -238,18 +252,7 @@ class ResultsList(list):
             count=len(self),
         )
 
-        if time_units == "d":
-            times /= (60 * 60 * 24)
-        elif time_units == "h":
-            times /= (60 * 60)
-        elif time_units == "min":
-            times /= 60
-        elif time_units != "s":
-            raise ValueError(
-                'Unable to set "time_units" to {} since it is not '
-                'in ("s", "d", "min", "h")'.format(time_units)
-            )
-        return times
+        return _get_time_as(times, time_units)
 
     def get_step_where(
         self, time, time_units="d", atol=1e-6, rtol=1e-3
diff --git a/tests/unit_tests/test_deplete_resultslist.py b/tests/unit_tests/test_deplete_resultslist.py
index 5d8fb11e4..96a16cf4d 100644
--- a/tests/unit_tests/test_deplete_resultslist.py
+++ b/tests/unit_tests/test_deplete_resultslist.py
@@ -58,12 +58,14 @@ def test_get_reaction_rate(res):
 def test_get_eigenvalue(res):
     """Tests evaluating eigenvalue."""
     t, k = res.get_eigenvalue()
+    t_min, k = res.get_eigenvalue(time_units='min')
 
     t_ref = [0.0, 1296000.0, 2592000.0, 3888000.0]
     k_ref = [1.21409662, 1.16518654, 1.25357797, 1.22611968]
     u_ref = [0.0278795195, 0.0233141097, 0.0167899218, 0.0246734716]
 
     np.testing.assert_allclose(t, t_ref)
+    np.testing.assert_allclose(t_min * 60, t_ref)
     np.testing.assert_allclose(k[:, 0], k_ref)
     np.testing.assert_allclose(k[:, 1], u_ref)
 

From 94c282670c0eeacf95e965c06e195559c4c7a9d3 Mon Sep 17 00:00:00 2001
From: shimwell <mail@jshimwell.com>
Date: Thu, 28 Apr 2022 15:13:12 +0100
Subject: [PATCH 0252/2654] removed typo in group name

---
 openmc/mgxs/__init__.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/mgxs/__init__.py b/openmc/mgxs/__init__.py
index 133b4c257..938dd8c7a 100644
--- a/openmc/mgxs/__init__.py
+++ b/openmc/mgxs/__init__.py
@@ -154,7 +154,7 @@ GROUP_STRUCTURES['VITAMIN-J-175'] = np.array([
     1.1052e7, 1.1618e7, 1.2214e7, 1.2523e7, 1.2840e7, 1.3499e7,
     1.3840e7, 1.4191e7, 1.4550e7, 1.4918e7, 1.5683e7, 1.6487e7,
     1.6905e7, 1.7332e7, 1.9640e7])
-GROUP_STRUCTURES['TRIPOLI-315,'] = np.array([
+GROUP_STRUCTURES['TRIPOLI-315'] = np.array([
     1.0e-5, 1.1e-4, 3.000e-3, 5.500e-3, 1.000e-2, 1.500e-2, 2.000e-2, 3.000e-2,
     3.200e-2, 3.238e-2, 4.300e-2, 5.900e-2, 7.700e-2, 9.500e-2, 1.000e-1,
     1.150e-1, 1.340e-1, 1.600e-1, 1.890e-1, 2.200e-1, 2.480e-1, 2.825e-1,

From 1d7265de3ea1012bfa935a48ec96384897847b03 Mon Sep 17 00:00:00 2001
From: yardasol <oyardas2@illinois.edu>
Date: Thu, 28 Apr 2022 10:24:31 -0500
Subject: [PATCH 0253/2654] check surface coefficients match between
 CylinderSector objects from different constructors

---
 tests/unit_tests/test_surface_composite.py | 11 ++++++++---
 1 file changed, 8 insertions(+), 3 deletions(-)

diff --git a/tests/unit_tests/test_surface_composite.py b/tests/unit_tests/test_surface_composite.py
index d4c180d26..4d680ae7c 100644
--- a/tests/unit_tests/test_surface_composite.py
+++ b/tests/unit_tests/test_surface_composite.py
@@ -220,14 +220,19 @@ def test_cylinder_sector_from_theta_alpha():
     d = (r2 - r1) / 2
     theta = 120.
     alpha = -60.
-    s = openmc.model.CylinderSector.from_theta_alpha(r1,
+    theta1 = alpha
+    theta2 = alpha + theta
+    s = openmc.model.CylinderSector(r1, r2, theta1, theta2)
+    s_alt = openmc.model.CylinderSector.from_theta_alpha(r1,
                                                      r2,
                                                      theta,
                                                      alpha)
 
     # Check that the angles are correct
-    assert s._theta1 == alpha
-    assert s._theta2 == alpha + theta
+    assert s.plane1.coefficients == s_alt.plane1.coefficients
+    assert s.plane2.coefficients == s_alt.plane2.coefficients
+    assert s.inner_cyl.coefficients == s_alt.inner_cyl.coefficients
+    assert s.outer_cyl.coefficients == s_alt.outer_cyl.coefficients
 
     # Check invalid sector width
     with pytest.raises(ValueError):

From 2cccc1b788d8dfee99b805e05eab089ff895f4f4 Mon Sep 17 00:00:00 2001
From: yardasol <oyardas2@illinois.edu>
Date: Thu, 28 Apr 2022 10:26:58 -0500
Subject: [PATCH 0254/2654] docstring fixes for from_theta_alpha; remove cruft
 attributes

---
 openmc/model/surface_composite.py | 21 ++++++++-------------
 1 file changed, 8 insertions(+), 13 deletions(-)

diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index d4b25436d..590fe13a4 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -112,15 +112,12 @@ class CylinderSector(CompositeSurface):
                  axis='z',
                  **kwargs):
 
-        if r2 <= r1 * sqrt(2):
+        if r2 <= r1:
             raise ValueError(f'r2 must be greater than r1.')
 
         if theta2 <= theta1:
             raise ValueError(f'theta2 must be greater than theta1.')
 
-        self._theta1 = theta1
-        self._theta2 = theta2
-
         phi1 = pi / 180 * theta1
         phi2 = pi / 180 * theta2
 
@@ -164,10 +161,10 @@ class CylinderSector(CompositeSurface):
                          center = (0.,0.),
                          axis='z',
                          **kwargs):
-        """Alternate constructor for :attr:`CylinderSector`. Returns an
-        :attr:`CylinderSector` object based on a central angle :math:`\\theta`
-        and an angular offset :math:`\\alpha`. Note that
-        :math:`\\theta_1 = \\alpha` and :math:`\\theta_2 = \\alpha + \\theta`.
+        r"""Alternate constructor for :class:`CylinderSector`. Returns a
+        :class:`CylinderSector` object based on a central angle :math:`\theta`
+        and an angular offset :math:`\alpha`. Note that
+        :math:`\theta_1 = \alpha` and :math:`\theta_2 = \alpha + \theta`.
 
         Parameters
         ----------
@@ -176,22 +173,20 @@ class CylinderSector(CompositeSurface):
         r2 : float
             Outer radius of sector. Must be greater than r1.
         theta : float
-            Central angle, :math:`\\theta`, of the sector in degrees. Must be
+            Central angle, :math:`\theta`, of the sector in degrees. Must be
             greater that 0 and less than 360.
         alpha : float
-            Angular offset, :math:`\\alpha`, of sector in degrees.
+            Angular offset, :math:`\alpha`, of sector in degrees.
             The offset is in the counter-clockwise direction
             with respect to the first basis axis (+y, +z, or +x). Note that
             negative values translate to an offset in the clockwise direction.
         center : iterable of float
             Coordinate for central axes of cylinders in the (y, z), (z, x), or (x, y)
             basis. Defaults to (0,0).
-
         axis : {'x', 'y', 'z'}
             Central axis of the cylinders defining the inner and outer surfaces of
             the sector. Defaults to 'z'.
-
-        kwargs : dict
+        **kwargs : dict
             Keyword arguments passed to the :class:`Cylinder` and :class:`Plane` constructors.
 
         Returns

From 77b4ec564718e8c876ac1ec4dbc83c9adc2d5921 Mon Sep 17 00:00:00 2001
From: yardasol <oyardas2@illinois.edu>
Date: Thu, 28 Apr 2022 10:30:47 -0500
Subject: [PATCH 0255/2654] pep8 and consistency fixes in docstring

---
 openmc/model/surface_composite.py | 13 +++++++------
 1 file changed, 7 insertions(+), 6 deletions(-)

diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index 590fe13a4..74f64c54a 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -81,12 +81,12 @@ class CylinderSector(CompositeSurface):
     center : iterable of float
        Coordinate for central axes of cylinders in the (y, z), (z, x), or (x, y)
        basis. Defaults to (0,0).
-
     axis : {'x', 'y', 'z'}
         Central axis of the cylinders defining the inner and outer surfaces of
         the sector. Defaults to 'z'.
-    kwargs : dict
-            Keyword arguments passed to the :class:`Cylinder` and :class:`Plane` constructors.
+    **kwargs : dict
+        Keyword arguments passed to the :class:`Cylinder` and
+        :class:`Plane` constructors.
 
     Attributes
     ----------
@@ -184,10 +184,11 @@ class CylinderSector(CompositeSurface):
             Coordinate for central axes of cylinders in the (y, z), (z, x), or (x, y)
             basis. Defaults to (0,0).
         axis : {'x', 'y', 'z'}
-            Central axis of the cylinders defining the inner and outer surfaces of
-            the sector. Defaults to 'z'.
+            Central axis of the cylinders defining the inner and outer surfaces
+            of the sector. Defaults to 'z'.
         **kwargs : dict
-            Keyword arguments passed to the :class:`Cylinder` and :class:`Plane` constructors.
+            Keyword arguments passed to the :class:`Cylinder` and
+            :class:`Plane` constructors.
 
         Returns
         -------

From f8f788352f51b4d454792b4610eee209bc87de9a Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 29 Apr 2022 06:48:55 -0500
Subject: [PATCH 0256/2654] Fix IO format documentation for
 surf_source_read/write

---
 docs/source/io_formats/settings.rst | 23 +++++++++++------------
 1 file changed, 11 insertions(+), 12 deletions(-)

diff --git a/docs/source/io_formats/settings.rst b/docs/source/io_formats/settings.rst
index d1d9e69fa..d2c15c56f 100644
--- a/docs/source/io_formats/settings.rst
+++ b/docs/source/io_formats/settings.rst
@@ -731,27 +731,26 @@ attributes/sub-elements:
 
     *Default*: false
 
----------------------------
-``<surf_src_read>`` Element
----------------------------
+------------------------------
+``<surf_source_read>`` Element
+------------------------------
 
-The ``<surf_src_read>`` element specifies a surface source file for OpenMC to
-read source bank for initializing histories.
-This element has the following attributes/sub-elements:
+The ``<surf_source_read>`` element specifies a surface source file for OpenMC to
+read source bank for initializing histories. This element has the following
+attributes/sub-elements:
 
   :path:
     Absolute or relative path to a surface source file to read in source bank.
 
     *Default*: ``surface_source.h5`` in current working directory
 
-----------------------------
-``<surf_src_write>`` Element
-----------------------------
+-------------------------------
+``<surf_source_write>`` Element
+-------------------------------
 
-The ``<surf_src_write>`` element triggers OpenMC to bank particles crossing
+The ``<surf_source_write>`` element triggers OpenMC to bank particles crossing
 certain surfaces and write out the source bank in a separate file called
-``surface_source.h5``.
-This element has the following attributes/sub-elements:
+``surface_source.h5``. This element has the following attributes/sub-elements:
 
   :surface_ids:
     A list of integers separated by spaces indicating the unique IDs of surfaces

From d76434379af9a56cfe60ad4b49b29982af1e9d6b Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 29 Apr 2022 19:25:01 -0500
Subject: [PATCH 0257/2654] Make sure basis gets set in Plot.from_geometry

---
 openmc/plots.py                | 1 +
 tests/unit_tests/test_plots.py | 1 +
 2 files changed, 2 insertions(+)

diff --git a/openmc/plots.py b/openmc/plots.py
index 6bce8894c..5e9c48413 100644
--- a/openmc/plots.py
+++ b/openmc/plots.py
@@ -512,6 +512,7 @@ class Plot(IDManagerMixin):
         plot.origin = np.insert((lower_left + upper_right)/2,
                                 slice_index, slice_coord)
         plot.width = upper_right - lower_left
+        plot.basis = basis
         return plot
 
     def colorize(self, geometry, seed=1):
diff --git a/tests/unit_tests/test_plots.py b/tests/unit_tests/test_plots.py
index 3288617b0..718f098ba 100644
--- a/tests/unit_tests/test_plots.py
+++ b/tests/unit_tests/test_plots.py
@@ -58,6 +58,7 @@ def test_from_geometry():
         plot = openmc.Plot.from_geometry(geom, basis)
         assert plot.origin == pytest.approx((0., 0., 0.))
         assert plot.width == pytest.approx((width, width))
+        assert plot.basis == basis
 
 
 def test_highlight_domains():

From 45a6b31c8f505092ee88d96ab5363b83529d9a8b Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 28 Apr 2022 15:43:42 -0500
Subject: [PATCH 0258/2654] Change StatePoint.k_combined -> keff,
 ResultsList.get_eigenvalue -> get_keff

---
 docs/source/usersguide/depletion.rst             |  2 +-
 docs/source/usersguide/troubleshoot.rst          |  2 +-
 examples/jezebel/jezebel.py                      |  2 +-
 examples/pincell_depletion/restart_depletion.py  | 14 +++++++-------
 examples/pincell_depletion/run_depletion.py      | 13 ++++++-------
 openmc/deplete/operator.py                       |  4 ++--
 openmc/deplete/results.py                        |  4 ++--
 openmc/deplete/results_list.py                   | 16 +++++++++++-----
 openmc/mgxs/library.py                           |  2 +-
 openmc/search.py                                 |  2 +-
 openmc/statepoint.py                             | 16 +++++++++++++++-
 tests/regression_tests/deplete/test.py           |  8 ++++----
 tests/regression_tests/entropy/test.py           |  2 +-
 tests/regression_tests/mg_convert/test.py        |  2 +-
 .../trigger_statepoint_restart/test.py           |  8 ++++----
 tests/testing_harness.py                         |  2 +-
 tests/unit_tests/test_deplete_resultslist.py     |  8 ++++----
 tests/unit_tests/test_model.py                   |  4 ++--
 tests/unit_tests/test_temp_interp.py             |  2 +-
 tests/unit_tests/test_torus.py                   |  2 +-
 20 files changed, 67 insertions(+), 48 deletions(-)

diff --git a/docs/source/usersguide/depletion.rst b/docs/source/usersguide/depletion.rst
index 6fa2b89c9..78a12c4ca 100644
--- a/docs/source/usersguide/depletion.rst
+++ b/docs/source/usersguide/depletion.rst
@@ -54,7 +54,7 @@ easy retrieval of k-effective, nuclide concentrations, and reaction rates over
 time::
 
     results = openmc.deplete.ResultsList.from_hdf5("depletion_results.h5")
-    time, keff = results.get_eigenvalue()
+    time, keff = results.get_keff()
 
 Note that the coupling between the transport solver and the transmutation solver
 happens in-memory rather than by reading/writing files on disk.
diff --git a/docs/source/usersguide/troubleshoot.rst b/docs/source/usersguide/troubleshoot.rst
index 888158837..b1cd80f3e 100644
--- a/docs/source/usersguide/troubleshoot.rst
+++ b/docs/source/usersguide/troubleshoot.rst
@@ -81,7 +81,7 @@ it is recommended that data be extracted from statepoint files in a context mana
 .. code-block:: python
 
     with openmc.StatePoint('statepoint.10.h5') as sp:
-        k_eff = sp.k_combined
+        k_eff = sp.keff
 
 or that the :meth:`StatePoint.close` method is called before executing a subsequent
 OpenMC run.
diff --git a/examples/jezebel/jezebel.py b/examples/jezebel/jezebel.py
index 5114ac714..83b47a5e9 100644
--- a/examples/jezebel/jezebel.py
+++ b/examples/jezebel/jezebel.py
@@ -29,5 +29,5 @@ openmc.run()
 # Get the resulting k-effective value
 n = settings.batches
 with openmc.StatePoint(f'statepoint.{n}.h5') as sp:
-    keff = sp.k_combined
+    keff = sp.keff
     print(f'Final k-effective = {keff}')
diff --git a/examples/pincell_depletion/restart_depletion.py b/examples/pincell_depletion/restart_depletion.py
index 991120399..72209d2ab 100644
--- a/examples/pincell_depletion/restart_depletion.py
+++ b/examples/pincell_depletion/restart_depletion.py
@@ -59,33 +59,33 @@ integrator.integrate()
 results = openmc.deplete.ResultsList.from_hdf5("depletion_results.h5")
 
 # Obtain K_eff as a function of time
-time, keff = results.get_eigenvalue()
+time, keff = results.get_keff(time_units='d')
 
 # Obtain U235 concentration as a function of time
-time, n_U235 = results.get_atoms(uo2, 'U235')
+uo2 = geometry.get_all_material_cells()[1]
+_, n_U235 = results.get_atoms(uo2, 'U235')
 
 # Obtain Xe135 capture reaction rate as a function of time
-time, Xe_capture = results.get_reaction_rate(uo2, 'Xe135', '(n,gamma)')
+_, Xe_capture = results.get_reaction_rate(uo2, 'Xe135', '(n,gamma)')
 
 ###############################################################################
 #                            Generate plots
 ###############################################################################
 
-days = 24*60*60
 fig, ax = plt.subplots()
-ax.errorbar(time/days, keff[:, 0], keff[:, 1], label="K-effective")
+ax.errorbar(time, keff[:, 0], keff[:, 1], label="K-effective")
 ax.set_xlabel("Time [d]")
 ax.set_ylabel("Keff")
 plt.show()
 
 fig, ax = plt.subplots()
-ax.plot(time/days, n_U235, label="U235")
+ax.plot(time, n_U235, label="U235")
 ax.set_xlabel("Time [d]")
 ax.set_ylabel("U235 atoms")
 plt.show()
 
 fig, ax = plt.subplots()
-ax.plot(time/days, Xe_capture, label="Xe135 capture")
+ax.plot(time, Xe_capture, label="Xe135 capture")
 ax.set_xlabel("Time [d]")
 ax.set_ylabel("Xe135 capture rate")
 plt.show()
diff --git a/examples/pincell_depletion/run_depletion.py b/examples/pincell_depletion/run_depletion.py
index 75bc3b542..53b0614d1 100644
--- a/examples/pincell_depletion/run_depletion.py
+++ b/examples/pincell_depletion/run_depletion.py
@@ -104,33 +104,32 @@ integrator.integrate()
 results = openmc.deplete.ResultsList.from_hdf5("depletion_results.h5")
 
 # Obtain K_eff as a function of time
-time, keff = results.get_eigenvalue()
+time, keff = results.get_keff(time_units='d')
 
 # Obtain U235 concentration as a function of time
-time, n_U235 = results.get_atoms(uo2, 'U235')
+_, n_U235 = results.get_atoms(uo2, 'U235')
 
 # Obtain Xe135 capture reaction rate as a function of time
-time, Xe_capture = results.get_reaction_rate(uo2, 'Xe135', '(n,gamma)')
+_, Xe_capture = results.get_reaction_rate(uo2, 'Xe135', '(n,gamma)')
 
 ###############################################################################
 #                            Generate plots
 ###############################################################################
 
-days = 24*60*60
 fig, ax = plt.subplots()
-ax.errorbar(time/days, keff[:, 0], keff[:, 1], label="K-effective")
+ax.errorbar(time, keff[:, 0], keff[:, 1], label="K-effective")
 ax.set_xlabel("Time [d]")
 ax.set_ylabel("Keff")
 plt.show()
 
 fig, ax = plt.subplots()
-ax.plot(time/days, n_U235, label="U235")
+ax.plot(time, n_U235, label="U235")
 ax.set_xlabel("Time [d]")
 ax.set_ylabel("U235 atoms")
 plt.show()
 
 fig, ax = plt.subplots()
-ax.plot(time/days, Xe_capture, label="Xe135 capture")
+ax.plot(time, Xe_capture, label="Xe135 capture")
 ax.set_xlabel("Time [d]")
 ax.set_ylabel("Xe135 capture rate")
 plt.show()
diff --git a/openmc/deplete/operator.py b/openmc/deplete/operator.py
index 337e8f8c0..1f31a22b6 100644
--- a/openmc/deplete/operator.py
+++ b/openmc/deplete/operator.py
@@ -725,7 +725,7 @@ class Operator(TransportOperator):
         rates.fill(0.0)
 
         # Get k and uncertainty
-        k_combined = ufloat(*openmc.lib.keff())
+        keff = ufloat(*openmc.lib.keff())
 
         # Extract tally bins
         nuclides = self._rate_helper.nuclides
@@ -779,7 +779,7 @@ class Operator(TransportOperator):
         # Store new fission yields on the chain
         self.chain.fission_yields = fission_yields
 
-        return OperatorResult(k_combined, rates)
+        return OperatorResult(keff, rates)
 
     def _get_nuclides_with_data(self, cross_sections):
         """Loads cross_sections.xml file to find nuclides with neutron data"""
diff --git a/openmc/deplete/results.py b/openmc/deplete/results.py
index 89c6f8874..3916fb4d7 100644
--- a/openmc/deplete/results.py
+++ b/openmc/deplete/results.py
@@ -50,7 +50,7 @@ class Results:
         Number of stages in simulation.
     data : numpy.ndarray
         Atom quantity, stored by stage, mat, then by nuclide.
-    proc_time: int
+    proc_time : int
         Average time spent depleting a material across all
         materials and processes
 
@@ -518,4 +518,4 @@ class Results:
 
         for material in materials:
             if material.depletable:
-                material.volume = self.volume[str(material.id)]
\ No newline at end of file
+                material.volume = self.volume[str(material.id)]
diff --git a/openmc/deplete/results_list.py b/openmc/deplete/results_list.py
index 3265f22f8..f2f2be0ab 100644
--- a/openmc/deplete/results_list.py
+++ b/openmc/deplete/results_list.py
@@ -1,6 +1,7 @@
 import numbers
 import bisect
 import math
+from warnings import warn
 
 import h5py
 import numpy as np
@@ -165,7 +166,7 @@ class ResultsList(list):
 
         return times, rates
 
-    def get_eigenvalue(self, time_units='s'):
+    def get_keff(self, time_units='s'):
         """Evaluates the eigenvalue from a results list.
 
         Parameters
@@ -197,14 +198,19 @@ class ResultsList(list):
         times = _get_time_as(times, time_units)
         return times, eigenvalues
 
+    def get_eigenvalue(self, time_units='s'):
+        warn("The get_eigenvalue(...) function has been renamed get_keff and "
+             "will be removed in a future version of OpenMC.", FutureWarning)
+        return self.get_keff(time_units)
+
+
     def get_depletion_time(self):
         """Return an array of the average time to deplete a material
 
         .. note::
-
-            Will have one fewer row than number of other methods,
-            like :meth:`get_eigenvalues`, because no depletion
-            is performed at the final transport stage
+            The return value will have one fewer values than several other
+            methods, such as :meth:`get_keff`, because no depletion is performed
+            at the final transport stage.
 
         Returns
         -------
diff --git a/openmc/mgxs/library.py b/openmc/mgxs/library.py
index 5c7072033..efe8dbe84 100644
--- a/openmc/mgxs/library.py
+++ b/openmc/mgxs/library.py
@@ -593,7 +593,7 @@ class Library:
         self._nuclides = statepoint.summary.nuclides
 
         if statepoint.run_mode == 'eigenvalue':
-            self._keff = statepoint.k_combined.n
+            self._keff = statepoint.keff.n
 
         # Load tallies for each MGXS for each domain and mgxs type
         for domain in self.domains:
diff --git a/openmc/search.py b/openmc/search.py
index ee5dd1f07..9db37da1c 100644
--- a/openmc/search.py
+++ b/openmc/search.py
@@ -53,7 +53,7 @@ def _search_keff(guess, target, model_builder, model_args, print_iterations,
     # Run the model and obtain keff
     sp_filepath = model.run(output=print_output)
     with openmc.StatePoint(sp_filepath) as sp:
-        keff = sp.k_combined
+        keff = sp.keff
 
     # Record the history
     guesses.append(guess)
diff --git a/openmc/statepoint.py b/openmc/statepoint.py
index 894730cbe..630675816 100644
--- a/openmc/statepoint.py
+++ b/openmc/statepoint.py
@@ -63,6 +63,8 @@ class StatePoint:
         datatype has fields 'name', 'sum', 'sum_sq', 'mean', and 'std_dev'.
     k_combined : uncertainties.UFloat
         Combined estimator for k-effective
+
+        .. deprecated:: 0.13.1
     k_col_abs : float
         Cross-product of collision and absorption estimates of k-effective
     k_col_tra : float
@@ -71,6 +73,10 @@ class StatePoint:
         Cross-product of absorption and tracklength estimates of k-effective
     k_generation : numpy.ndarray
         Estimate of k-effective for each batch/generation
+    keff : uncertainties.UFloat
+        Combined estimator for k-effective
+
+        .. versionadded:: 0.13.1
     meshes : dict
         Dictionary whose keys are mesh IDs and whose values are MeshBase objects
     n_batches : int
@@ -260,12 +266,20 @@ class StatePoint:
             return None
 
     @property
-    def k_combined(self):
+    def keff(self):
         if self.run_mode == 'eigenvalue':
             return ufloat(*self._f['k_combined'][()])
         else:
             return None
 
+    @property
+    def k_combined(self):
+        warnings.warn(
+            "The 'k_combined' property has been renamed to 'keff' and will be "
+            "removed in a future version of OpenMC.", FutureWarning
+        )
+        return self.keff
+
     @property
     def k_col_abs(self):
         if self.run_mode == 'eigenvalue':
diff --git a/tests/regression_tests/deplete/test.py b/tests/regression_tests/deplete/test.py
index fccd50493..4f0e738a3 100644
--- a/tests/regression_tests/deplete/test.py
+++ b/tests/regression_tests/deplete/test.py
@@ -115,16 +115,16 @@ def test_full(run_in_tmpdir, problem, multiproc):
 
     # Compare statepoint files with depletion results
 
-    t_test, k_test = res_test.get_eigenvalue()
-    t_ref, k_ref = res_ref.get_eigenvalue()
+    t_test, k_test = res_test.get_keff()
+    t_ref, k_ref = res_ref.get_keff()
     k_state = np.empty_like(k_ref)
 
     n_tallies = np.empty(N + 1, dtype=int)
 
     # Get statepoint files for all BOS points and EOL
     for n in range(N + 1):
-        statepoint = openmc.StatePoint("openmc_simulation_n{}.h5".format(n))
-        k_n = statepoint.k_combined
+        statepoint = openmc.StatePoint(f"openmc_simulation_n{n}.h5")
+        k_n = statepoint.keff
         k_state[n] = [k_n.nominal_value, k_n.std_dev]
         n_tallies[n] = len(statepoint.tallies)
     # Look for exact match pulling from statepoint and depletion_results
diff --git a/tests/regression_tests/entropy/test.py b/tests/regression_tests/entropy/test.py
index 10a11e300..af1fbd56a 100644
--- a/tests/regression_tests/entropy/test.py
+++ b/tests/regression_tests/entropy/test.py
@@ -14,7 +14,7 @@ class EntropyTestHarness(TestHarness):
         with StatePoint(statepoint) as sp:
             # Write out k-combined.
             outstr = 'k-combined:\n'
-            outstr += '{:12.6E} {:12.6E}\n'.format(sp.k_combined.n, sp.k_combined.s)
+            outstr += '{:12.6E} {:12.6E}\n'.format(sp.keff.n, sp.keff.s)
 
             # Write out entropy data.
             outstr += 'entropy:\n'
diff --git a/tests/regression_tests/mg_convert/test.py b/tests/regression_tests/mg_convert/test.py
index f22c15dc0..c6ab485ea 100755
--- a/tests/regression_tests/mg_convert/test.py
+++ b/tests/regression_tests/mg_convert/test.py
@@ -145,7 +145,7 @@ class MGXSTestHarness(PyAPITestHarness):
                 # Write out k-combined.
                 outstr += 'k-combined:\n'
                 form = '{:12.6E} {:12.6E}\n'
-                outstr += form.format(sp.k_combined.n, sp.k_combined.s)
+                outstr += form.format(sp.keff.n, sp.keff.s)
 
         return outstr
 
diff --git a/tests/regression_tests/trigger_statepoint_restart/test.py b/tests/regression_tests/trigger_statepoint_restart/test.py
index 8d4d56192..8144c1d0b 100644
--- a/tests/regression_tests/trigger_statepoint_restart/test.py
+++ b/tests/regression_tests/trigger_statepoint_restart/test.py
@@ -90,7 +90,7 @@ class TriggerStatepointRestartTestHarness(PyAPITestHarness):
             assert spfile
             with openmc.StatePoint(spfile) as sp:
                  sp_batchno_1 = sp.current_batch
-                 k_combined_1 = sp.k_combined
+                 keff_1 = sp.keff
             assert sp_batchno_1 > 5
             print('Last batch no = %d' % sp_batchno_1)
             self._write_inputs(self._get_inputs())
@@ -108,13 +108,13 @@ class TriggerStatepointRestartTestHarness(PyAPITestHarness):
             assert spfile
             with openmc.StatePoint(spfile) as sp:
                  sp_batchno_2 = sp.current_batch
-                 k_combined_2 = sp.k_combined
+                 keff_2 = sp.keff
             assert sp_batchno_2 > 5
             assert sp_batchno_1 == sp_batchno_2, \
                 'Different final batch number after restart'
             # need str() here as uncertainties.ufloat instances are always different
-            assert str(k_combined_1) == str(k_combined_2), \
-                'Different final k_combined after restart'
+            assert str(keff_1) == str(keff_2), \
+                'Different final keff after restart'
             self._write_inputs(self._get_inputs())
             self._compare_inputs()
             self._test_output_created()
diff --git a/tests/testing_harness.py b/tests/testing_harness.py
index ba65ba5a6..9a6db2a2e 100644
--- a/tests/testing_harness.py
+++ b/tests/testing_harness.py
@@ -92,7 +92,7 @@ class TestHarness:
                 # Write out k-combined.
                 outstr += 'k-combined:\n'
                 form = '{0:12.6E} {1:12.6E}\n'
-                outstr += form.format(sp.k_combined.n, sp.k_combined.s)
+                outstr += form.format(sp.keff.n, sp.keff.s)
 
             # Write out tally data.
             for i, tally_ind in enumerate(sp.tallies):
diff --git a/tests/unit_tests/test_deplete_resultslist.py b/tests/unit_tests/test_deplete_resultslist.py
index 96a16cf4d..03e7c3eb0 100644
--- a/tests/unit_tests/test_deplete_resultslist.py
+++ b/tests/unit_tests/test_deplete_resultslist.py
@@ -55,10 +55,10 @@ def test_get_reaction_rate(res):
     np.testing.assert_allclose(r, np.array(n_ref) * xs_ref)
 
 
-def test_get_eigenvalue(res):
-    """Tests evaluating eigenvalue."""
-    t, k = res.get_eigenvalue()
-    t_min, k = res.get_eigenvalue(time_units='min')
+def test_get_keff(res):
+    """Tests evaluating keff."""
+    t, k = res.get_keff()
+    t_min, k = res.get_keff(time_units='min')
 
     t_ref = [0.0, 1296000.0, 2592000.0, 3888000.0]
     k_ref = [1.21409662, 1.16518654, 1.25357797, 1.22611968]
diff --git a/tests/unit_tests/test_model.py b/tests/unit_tests/test_model.py
index ff446a83d..10417b20e 100644
--- a/tests/unit_tests/test_model.py
+++ b/tests/unit_tests/test_model.py
@@ -293,14 +293,14 @@ def test_run(run_in_tmpdir, pin_model_attributes, mpi_intracomm):
     # C API execution modes and ensuring they give the same result.
     sp_path = test_model.run(output=False)
     with openmc.StatePoint(sp_path) as sp:
-        cli_keff = sp.k_combined
+        cli_keff = sp.keff
         cli_flux = sp.get_tally(id=1).get_values(scores=['flux'])[0, 0, 0]
         cli_fiss = sp.get_tally(id=1).get_values(scores=['fission'])[0, 0, 0]
 
     test_model.init_lib(output=False, intracomm=mpi_intracomm)
     sp_path = test_model.run(output=False)
     with openmc.StatePoint(sp_path) as sp:
-        lib_keff = sp.k_combined
+        lib_keff = sp.keff
         lib_flux = sp.get_tally(id=1).get_values(scores=['flux'])[0, 0, 0]
         lib_fiss = sp.get_tally(id=1).get_values(scores=['fission'])[0, 0, 0]
 
diff --git a/tests/unit_tests/test_temp_interp.py b/tests/unit_tests/test_temp_interp.py
index 6cbe2f63f..f87d52961 100644
--- a/tests/unit_tests/test_temp_interp.py
+++ b/tests/unit_tests/test_temp_interp.py
@@ -147,7 +147,7 @@ def test_interpolation(model, method, temperature, fission_expected):
         assert abs(nu_fission_mean - nu*fission_expected) < 3*nu_fission_unc
 
         # Check that k-effective value matches expected
-        k = sp.k_combined
+        k = sp.keff
         if isnan(k.s):
             assert k.n == pytest.approx(nu*fission_expected)
         else:
diff --git a/tests/unit_tests/test_torus.py b/tests/unit_tests/test_torus.py
index a5f49faae..ba92860e7 100644
--- a/tests/unit_tests/test_torus.py
+++ b/tests/unit_tests/test_torus.py
@@ -24,7 +24,7 @@ def get_torus_keff(cls, R, r, center=(0, 0, 0)):
 
     sp_path = model.run()
     with openmc.StatePoint(sp_path) as sp:
-        return sp.k_combined
+        return sp.keff
 
 
 @pytest.mark.parametrize("R,r", [(2.1, 2.0), (3.0, 1.0)])

From 4d3aac7f63d00cdcd69beafe840cd2bd7cda9299 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 29 Apr 2022 07:03:14 -0500
Subject: [PATCH 0259/2654] Change print_output argument in search_for_keff to
 more general run_args

---
 openmc/search.py | 25 +++++++++++++++----------
 1 file changed, 15 insertions(+), 10 deletions(-)

diff --git a/openmc/search.py b/openmc/search.py
index 9db37da1c..7f6b3b5b9 100644
--- a/openmc/search.py
+++ b/openmc/search.py
@@ -12,7 +12,7 @@ _SCALAR_BRACKETED_METHODS = ['brentq', 'brenth', 'ridder', 'bisect']
 
 
 def _search_keff(guess, target, model_builder, model_args, print_iterations,
-                 print_output, guesses, results):
+                 run_args, guesses, results):
     """Function which will actually create our model, run the calculation, and
     obtain the result. This function will be passed to the root finding
     algorithm
@@ -31,8 +31,8 @@ def _search_keff(guess, target, model_builder, model_args, print_iterations,
     print_iterations : bool
         Whether or not to print the guess and the resultant keff during the
         iteration process.
-    print_output : bool
-        Whether or not to print the OpenMC output during the iterations.
+    run_args : dict
+        Keyword arguments to pass to :meth:`openmc.Model.run`.
     guesses : Iterable of Real
         Running list of guesses thus far, to be updated during the execution of
         this function.
@@ -51,7 +51,7 @@ def _search_keff(guess, target, model_builder, model_args, print_iterations,
     model = model_builder(guess, **model_args)
 
     # Run the model and obtain keff
-    sp_filepath = model.run(output=print_output)
+    sp_filepath = model.run(**run_args)
     with openmc.StatePoint(sp_filepath) as sp:
         keff = sp.keff
 
@@ -70,7 +70,7 @@ def _search_keff(guess, target, model_builder, model_args, print_iterations,
 def search_for_keff(model_builder, initial_guess=None, target=1.0,
                     bracket=None, model_args=None, tol=None,
                     bracketed_method='bisect', print_iterations=False,
-                    print_output=False, **kwargs):
+                    run_args=None, **kwargs):
     """Function to perform a keff search by modifying a model parametrized by a
     single independent variable.
 
@@ -102,9 +102,11 @@ def search_for_keff(model_builder, initial_guess=None, target=1.0,
     print_iterations : bool
         Whether or not to print the guess and the result during the iteration
         process. Defaults to False.
-    print_output : bool
-        Whether or not to print the OpenMC output during the iterations.
-        Defaults to False.
+    run_args : dict, optional
+        Keyword arguments to pass to :meth:`openmc.Model.run`. Defaults to no
+        arguments.
+
+        .. versionadded:: 0.13.1
     **kwargs
         All remaining keyword arguments are passed to the root-finding
         method.
@@ -137,7 +139,10 @@ def search_for_keff(model_builder, initial_guess=None, target=1.0,
     cv.check_value('bracketed_method', bracketed_method,
                    _SCALAR_BRACKETED_METHODS)
     cv.check_type('print_iterations', print_iterations, bool)
-    cv.check_type('print_output', print_output, bool)
+    if run_args is None:
+        run_args = {}
+    else:
+        cv.check_type('run_args', run_args, dict)
     cv.check_type('model_builder', model_builder, Callable)
 
     # Run the model builder function once to make sure it provides the correct
@@ -188,7 +193,7 @@ def search_for_keff(model_builder, initial_guess=None, target=1.0,
 
     # Add information to be passed to the searching function
     args['args'] = (target, model_builder, model_args, print_iterations,
-                    print_output, guesses, results)
+                    run_args, guesses, results)
 
     # Create a new dictionary with the arguments from args and kwargs
     args.update(kwargs)

From f9027893dd6a75b3bace2c363d5144436a596ac5 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Mon, 2 May 2022 22:07:56 -0500
Subject: [PATCH 0260/2654] Add test with large major radii (currently
 segfaults)

---
 .../torus/large_major/__init__.py             |  0
 .../torus/large_major/inputs_true.dat         | 37 +++++++++++++++++
 .../torus/large_major/results_true.dat        |  3 ++
 .../torus/large_major/test.py                 | 41 +++++++++++++++++++
 4 files changed, 81 insertions(+)
 create mode 100644 tests/regression_tests/torus/large_major/__init__.py
 create mode 100644 tests/regression_tests/torus/large_major/inputs_true.dat
 create mode 100644 tests/regression_tests/torus/large_major/results_true.dat
 create mode 100644 tests/regression_tests/torus/large_major/test.py

diff --git a/tests/regression_tests/torus/large_major/__init__.py b/tests/regression_tests/torus/large_major/__init__.py
new file mode 100644
index 000000000..e69de29bb
diff --git a/tests/regression_tests/torus/large_major/inputs_true.dat b/tests/regression_tests/torus/large_major/inputs_true.dat
new file mode 100644
index 000000000..ae3f72d0f
--- /dev/null
+++ b/tests/regression_tests/torus/large_major/inputs_true.dat
@@ -0,0 +1,37 @@
+<?xml version='1.0' encoding='utf-8'?>
+<geometry>
+  <cell id="1" material="void" region="-1" universe="1" />
+  <cell id="2" material="1" region="1 -2" universe="1" />
+  <cell id="3" material="2" region="2 -3" universe="1" />
+  <surface coeffs="0.0 0.0 0.0 1000.0 30.0 30.0" id="1" type="z-torus" />
+  <surface coeffs="0.0 0.0 0.0 1000.0 35.0 35.0" id="2" type="z-torus" />
+  <surface boundary="vacuum" coeffs="0.0 0.0 0.0 1000.0 40.0 40.0" id="3" type="z-torus" />
+</geometry>
+<?xml version='1.0' encoding='utf-8'?>
+<materials>
+  <material id="1">
+    <density units="g/cm3" value="1.0" />
+    <nuclide ao="1.0" name="W184" />
+  </material>
+  <material id="2">
+    <density units="g/cm3" value="5.0" />
+    <nuclide ao="1.0" name="Fe56" />
+  </material>
+</materials>
+<?xml version='1.0' encoding='utf-8'?>
+<settings>
+  <run_mode>fixed source</run_mode>
+  <particles>1000</particles>
+  <batches>10</batches>
+  <source strength="1.0">
+    <space type="point">
+      <parameters>-1000.0 0 0</parameters>
+    </space>
+  </source>
+</settings>
+<?xml version='1.0' encoding='utf-8'?>
+<tallies>
+  <tally id="1">
+    <scores>flux</scores>
+  </tally>
+</tallies>
diff --git a/tests/regression_tests/torus/large_major/results_true.dat b/tests/regression_tests/torus/large_major/results_true.dat
new file mode 100644
index 000000000..cb9f54970
--- /dev/null
+++ b/tests/regression_tests/torus/large_major/results_true.dat
@@ -0,0 +1,3 @@
+tally 1:
+9.675396E+02
+9.363406E+04
diff --git a/tests/regression_tests/torus/large_major/test.py b/tests/regression_tests/torus/large_major/test.py
new file mode 100644
index 000000000..256716f4e
--- /dev/null
+++ b/tests/regression_tests/torus/large_major/test.py
@@ -0,0 +1,41 @@
+import openmc
+import pytest
+
+from tests.testing_harness import PyAPITestHarness
+
+
+@pytest.fixture
+def model():
+    model = openmc.Model()
+    tungsten = openmc.Material()
+    tungsten.set_density('g/cm3', 1.0)
+    tungsten.add_nuclide('W184', 1.0)
+    ss = openmc.Material()
+    ss.set_density('g/cm3', 5.0)
+    ss.add_nuclide('Fe56', 1.0)
+    model.materials.extend([tungsten, ss])
+
+    # Create nested torii with very large major radii
+    R = 1000.0
+    vacuum = openmc.ZTorus(a=R, b=30.0, c=30.0)
+    first_wall = openmc.ZTorus(a=R, b=35.0, c=35.0)
+    vessel = openmc.ZTorus(a=R, b=40.0, c=40.0, boundary_type='vacuum')
+    cell1 = openmc.Cell(region=-vacuum)
+    cell2 = openmc.Cell(fill=tungsten, region=+vacuum & -first_wall)
+    cell3 = openmc.Cell(fill=ss, region=+first_wall & -vessel)
+    model.geometry = openmc.Geometry([cell1, cell2, cell3])
+
+    model.settings.run_mode ='fixed source'
+    model.settings.particles = 1000
+    model.settings.batches = 10
+    model.settings.source = openmc.Source(space=openmc.stats.Point((-R, 0, 0,)))
+
+    tally = openmc.Tally()
+    tally.scores = ['flux']
+    model.tallies.append(tally)
+    return model
+
+
+def test_torus_large_major(model):
+    harness = PyAPITestHarness('statepoint.10.h5', model)
+    harness.main()

From 01f26d607143fa1b81cefadeb932d8457f7bab8a Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Mon, 2 May 2022 22:09:06 -0500
Subject: [PATCH 0261/2654] Fix bug with torus distance when particle is
 coincident

---
 src/surface.cpp | 6 ++++--
 1 file changed, 4 insertions(+), 2 deletions(-)

diff --git a/src/surface.cpp b/src/surface.cpp
index dbfa0bf3d..c0b3f0a59 100644
--- a/src/surface.cpp
+++ b/src/surface.cpp
@@ -1026,9 +1026,11 @@ double torus_distance(double x1, double x2, double x3, double u1, double u2,
   double c1p = 2 * four_A2 * (u1 * x1 + u2 * x2);
   double c0p = four_A2 * (x1 * x1 + x2 * x2);
 
-  // Coefficient for equation: a t^4 + b t^3 + c t^2 + d t + e = 0
+  // Coefficient for equation: a t^4 + b t^3 + c t^2 + d t + e = 0. If the point
+  // is coincident, the 'e' coefficient should be zero. Explicitly setting it to
+  // zero helps avoid numerical issues below with root finding.
   double coeff[5];
-  coeff[0] = c0 * c0 - c0p;
+  coeff[0] = coincident ? 0.0 : c0 * c0 - c0p;
   coeff[1] = 2 * c0 * c1 - c1p;
   coeff[2] = c1 * c1 + 2 * c0 * c2 - c2p;
   coeff[3] = 2 * c1 * c2;

From 41ae16c032eb80c632a88505f520528ad6a3a721 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 3 May 2022 17:17:12 -0500
Subject: [PATCH 0262/2654] Allow for use of redundant fission when adjusting
 KERMA in from_njoy

---
 openmc/data/neutron.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/data/neutron.py b/openmc/data/neutron.py
index 47ebfabf8..db78ce27b 100644
--- a/openmc/data/neutron.py
+++ b/openmc/data/neutron.py
@@ -877,7 +877,7 @@ class IncidentNeutron(EqualityMixin):
 
                 if f is not None:
                     # Replace fission KERMA with (EFR + EB)*sigma_f
-                    fission = data.reactions[18].xs[temp]
+                    fission = data[18].xs[temp]
                     kerma_fission = get_file3_xs(ev, 318, E)
                     kerma.y = kerma.y - kerma_fission + (
                         f.fragments(E) + f.betas(E)) * fission(E)

From ef3019a140d7e9b511f7e09bfb029c2b1e1e4015 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 5 Apr 2022 12:49:48 -0500
Subject: [PATCH 0263/2654] Add merge classmethod on openmc.stats.Discrete

---
 openmc/stats/univariate.py     | 31 +++++++++++++++++++++++++++++++
 tests/unit_tests/test_stats.py | 23 +++++++++++++++++++++++
 2 files changed, 54 insertions(+)

diff --git a/openmc/stats/univariate.py b/openmc/stats/univariate.py
index f8e50044f..53b19713b 100644
--- a/openmc/stats/univariate.py
+++ b/openmc/stats/univariate.py
@@ -1,5 +1,7 @@
 from abc import ABC, abstractmethod
+from collections import defaultdict
 from collections.abc import Iterable
+from functools import reduce
 from numbers import Real
 from xml.etree import ElementTree as ET
 
@@ -156,6 +158,35 @@ class Discrete(Univariate):
         p = params[len(params)//2:]
         return cls(x, p)
 
+    @classmethod
+    def merge(cls, dists, probs):
+        """Merge multiple discrete distributions into a single distribution
+
+        Parameters
+        ----------
+        dists : iterable of openmc.stats.Discrete
+            Discrete distributions to combine
+        probs : iterable of float
+            Probability of each distribution
+
+        Returns
+        -------
+        openmc.stats.Discrete
+            Combined discrete distribution
+
+        """
+        # Combine distributions accounting for duplicate x values
+        x_merged = set()
+        p_merged = defaultdict(float)
+        for dist, p_dist in zip(dists, probs):
+            for x, p in zip(dist.x, dist.p):
+                x_merged.add(x)
+                p_merged[x] += p*p_dist
+
+        # Create values and probabilities as arrays
+        x_arr = np.array(sorted(x_merged))
+        p_arr = np.array([p_merged[x] for x in x_arr])
+        return cls(x_arr, p_arr)
 
 class Uniform(Univariate):
     """Distribution with constant probability over a finite interval [a,b]
diff --git a/tests/unit_tests/test_stats.py b/tests/unit_tests/test_stats.py
index bbcb12ff1..51a561bd3 100644
--- a/tests/unit_tests/test_stats.py
+++ b/tests/unit_tests/test_stats.py
@@ -27,6 +27,29 @@ def test_discrete():
     assert len(d2) == 1
 
 
+def test_merge_discrete():
+    x1 = [0.0, 1.0, 10.0]
+    p1 = [0.3, 0.2, 0.5]
+    d1 = openmc.stats.Discrete(x1, p1)
+
+    x2 = [0.5, 1.0, 5.0]
+    p2 = [0.4, 0.5, 0.1]
+    d2 = openmc.stats.Discrete(x2, p2)
+
+    # Merged distribution should have x values sorted and probabilities
+    # appropriately combined. Duplicate x values should appear once.
+    merged = openmc.stats.Discrete.merge([d1, d2], [0.6, 0.4])
+    assert merged.x == pytest.approx([0.0, 0.5, 1.0, 5.0, 10.0])
+    assert merged.p == pytest.approx(
+        [0.6*0.3, 0.4*0.4, 0.6*0.2 + 0.4*0.5, 0.4*0.1, 0.6*0.5])
+
+    # Probabilities add up but are not normalized
+    d1 = openmc.stats.Discrete([3.0], [1.0])
+    triple = openmc.stats.Discrete.merge([d1, d1, d1], [1.0, 2.0, 3.0])
+    assert triple.x == pytest.approx([3.0])
+    assert triple.p == pytest.approx([6.0])
+
+
 def test_uniform():
     a, b = 10.0, 20.0
     d = openmc.stats.Uniform(a, b)

From 6f1f42e5c5965ade345b0b0924cf725ad8d48bae Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 4 May 2022 07:05:10 -0500
Subject: [PATCH 0264/2654] Fix docstring for IsogonalOctagon (missing 'r' for
 raw)

---
 openmc/model/surface_composite.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index 74f64c54a..6271154fb 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -212,7 +212,7 @@ class CylinderSector(CompositeSurface):
 
 
 class IsogonalOctagon(CompositeSurface):
-    """Infinite isogonal octagon composite surface
+    r"""Infinite isogonal octagon composite surface
 
     An isogonal octagon is composed of eight planar surfaces. The prism is
     parallel to the x, y, or z axis. The remaining two axes (y and z, z and x,

From cf665d076fa5d43cd157a70b73b48e7bf3648924 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 4 May 2022 12:34:04 -0500
Subject: [PATCH 0265/2654] Remove unused import in univariate.py

Co-authored-by: Ethan Peterson <ethan.peterson@mit.edu>
---
 openmc/stats/univariate.py | 1 -
 1 file changed, 1 deletion(-)

diff --git a/openmc/stats/univariate.py b/openmc/stats/univariate.py
index 53b19713b..c9f314793 100644
--- a/openmc/stats/univariate.py
+++ b/openmc/stats/univariate.py
@@ -1,7 +1,6 @@
 from abc import ABC, abstractmethod
 from collections import defaultdict
 from collections.abc import Iterable
-from functools import reduce
 from numbers import Real
 from xml.etree import ElementTree as ET
 

From ee5697e8585700771c1e9e05994dfccd13d20df7 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 5 May 2022 22:11:29 -0500
Subject: [PATCH 0266/2654] Add error message if user tries WMP + photon
 transport

---
 src/settings.cpp | 6 ++++++
 1 file changed, 6 insertions(+)

diff --git a/src/settings.cpp b/src/settings.cpp
index 795b164ec..e2bce94d7 100644
--- a/src/settings.cpp
+++ b/src/settings.cpp
@@ -802,6 +802,12 @@ void read_settings_xml()
   }
   if (check_for_node(root, "temperature_multipole")) {
     temperature_multipole = get_node_value_bool(root, "temperature_multipole");
+
+    // Multipole currently doesn't work with photon transport
+    if (temperature_multipole && photon_transport) {
+      fatal_error("Multipole data cannot currently be used in conjunction with "
+                  "photon transport.");
+    }
   }
   if (check_for_node(root, "temperature_range")) {
     auto range = get_node_array<double>(root, "temperature_range");

From 806367c124dcab180cdc056e3ff69c5adaf6bfd1 Mon Sep 17 00:00:00 2001
From: cpf <chris1218@gmx.de>
Date: Fri, 6 May 2022 10:19:16 +0200
Subject: [PATCH 0267/2654] Uniform distribution of cos(theta) in
 SphericalIndependent

---
 src/distribution_spatial.cpp | 10 +++++++---
 1 file changed, 7 insertions(+), 3 deletions(-)

diff --git a/src/distribution_spatial.cpp b/src/distribution_spatial.cpp
index 66430ddff..6a15992e1 100644
--- a/src/distribution_spatial.cpp
+++ b/src/distribution_spatial.cpp
@@ -172,10 +172,14 @@ Position SphericalIndependent::sample(uint64_t* seed) const
 {
   double r = r_->sample(seed);
   double theta = theta_->sample(seed);
+  // To distribute the points uniformly in the sphere, we must ensure that
+  // cos(theta) and not theta is uniformly distributed.
+  // This is done with theta_cos.
+  double theta_cos = std::acos((theta / (0.5 * PI)) - 1);
   double phi = phi_->sample(seed);
-  double x = r * sin(theta) * cos(phi) + origin_.x;
-  double y = r * sin(theta) * sin(phi) + origin_.y;
-  double z = r * cos(theta) + origin_.z;
+  double x = r * sin(theta_cos) * cos(phi) + origin_.x;
+  double y = r * sin(theta_cos) * sin(phi) + origin_.y;
+  double z = r * cos(theta_cos) + origin_.z;
   return {x, y, z};
 }
 

From baf35e74cad2c61ac1b4324f75002e1b63f90dcb Mon Sep 17 00:00:00 2001
From: Adam Nelson <agnelson@anl.gov>
Date: Fri, 6 May 2022 06:29:27 -0500
Subject: [PATCH 0268/2654] Resolved versionadded/deprecated versions per
 @paulromano comments and fixed failing test: missed one legacy _hdf5_key in
 DelayedNuFissionMatrixXS! I guess that shows the new parameter works, so,
 yeah, totally on purpose

---
 openmc/mgxs/mdgxs.py | 30 ++++++++--------
 openmc/mgxs/mgxs.py  | 82 ++++++++++++++++++++++----------------------
 2 files changed, 56 insertions(+), 56 deletions(-)

diff --git a/openmc/mgxs/mdgxs.py b/openmc/mgxs/mdgxs.py
index c59c8ff5c..ca8992212 100644
--- a/openmc/mgxs/mdgxs.py
+++ b/openmc/mgxs/mdgxs.py
@@ -124,12 +124,12 @@ class MDGXS(MGXS):
         The name of this MGXS type, to be used when printing and
         indexing in an HDF5 data store
 
-        .. versionadded:: 0.14
+        .. versionadded:: 0.13.1
     hdf5_key : str
         The key used to index multi-group cross sections in an HDF5 data store.
         This will be replaced by mgxs_type in the future.
 
-        .. deprecated:: 0.13.0
+        .. deprecated:: 0.13.1
 
     """
 
@@ -1012,12 +1012,12 @@ class ChiDelayed(MDGXS):
         The name of this MGXS type, to be used when printing and
         indexing in an HDF5 data store
 
-        .. versionadded:: 0.14
+        .. versionadded:: 0.13.1
     hdf5_key : str
         The key used to index multi-group cross sections in an HDF5 data store.
         This will be replaced by mgxs_type in the future.
 
-        .. deprecated:: 0.13.0
+        .. deprecated:: 0.13.1
 
     """
 
@@ -1536,12 +1536,12 @@ class DelayedNuFissionXS(MDGXS):
         The name of this MGXS type, to be used when printing and
         indexing in an HDF5 data store
 
-        .. versionadded:: 0.14
+        .. versionadded:: 0.13.1
     hdf5_key : str
         The key used to index multi-group cross sections in an HDF5 data store.
         This will be replaced by mgxs_type in the future.
 
-        .. deprecated:: 0.13.0
+        .. deprecated:: 0.13.1
 
     """
 
@@ -1680,12 +1680,12 @@ class Beta(MDGXS):
         The name of this MGXS type, to be used when printing and
         indexing in an HDF5 data store
 
-        .. versionadded:: 0.14
+        .. versionadded:: 0.13.1
     hdf5_key : str
         The key used to index multi-group cross sections in an HDF5 data store.
         This will be replaced by mgxs_type in the future.
 
-        .. deprecated:: 0.13.0
+        .. deprecated:: 0.13.1
 
     """
 
@@ -1878,12 +1878,12 @@ class DecayRate(MDGXS):
         The name of this MGXS type, to be used when printing and
         indexing in an HDF5 data store
 
-        .. versionadded:: 0.14
+        .. versionadded:: 0.13.1
     hdf5_key : str
         The key used to index multi-group cross sections in an HDF5 data store.
         This will be replaced by mgxs_type in the future.
 
-        .. deprecated:: 0.13.0
+        .. deprecated:: 0.13.1
 
     """
 
@@ -2196,12 +2196,12 @@ class MatrixMDGXS(MDGXS):
         The name of this MGXS type, to be used when printing and
         indexing in an HDF5 data store
 
-        .. versionadded:: 0.14
+        .. versionadded:: 0.13.1
     hdf5_key : str
         The key used to index multi-group cross sections in an HDF5 data store.
         This will be replaced by mgxs_type in the future.
 
-        .. deprecated:: 0.13.0
+        .. deprecated:: 0.13.1
 
     """
 
@@ -2800,12 +2800,12 @@ class DelayedNuFissionMatrixXS(MatrixMDGXS):
         The name of this MGXS type, to be used when printing and
         indexing in an HDF5 data store
 
-        .. versionadded:: 0.14
+        .. versionadded:: 0.13.1
     hdf5_key : str
         The key used to index multi-group cross sections in an HDF5 data store.
         This will be replaced by mgxs_type in the future.
 
-        .. deprecated:: 0.13.0
+        .. deprecated:: 0.13.1
 
     """
 
@@ -2815,6 +2815,6 @@ class DelayedNuFissionMatrixXS(MatrixMDGXS):
         super().__init__(domain, domain_type, energy_groups, delayed_groups,
                          by_nuclide, name, num_polar, num_azimuthal)
         self._rxn_type = 'delayed-nu-fission'
-        self._hdf5_key = 'delayed-nu-fission matrix'
+        self._mgxs_type = 'delayed-nu-fission matrix'
         self._estimator = 'analog'
         self._valid_estimators = ['analog']
diff --git a/openmc/mgxs/mgxs.py b/openmc/mgxs/mgxs.py
index ff55b882a..4211e9fb7 100644
--- a/openmc/mgxs/mgxs.py
+++ b/openmc/mgxs/mgxs.py
@@ -241,12 +241,12 @@ class MGXS:
         The name of this MGXS type, to be used when printing and
         indexing in an HDF5 data store
 
-        .. versionadded:: 0.14
+        .. versionadded:: 0.13.1
     hdf5_key : str
         The key used to index multi-group cross sections in an HDF5 data store.
         This will be replaced by mgxs_type in the future.
 
-        .. deprecated:: 0.13.0
+        .. deprecated:: 0.13.1
 
     """
 
@@ -628,7 +628,7 @@ class MGXS:
         warnings.warn(
             f'The {type(self).__name__}.hdf5_key attribute will be removed '
             f'in the future! Use {type(self).__name__}.mgxs_type instead',
-            DeprecationWarning)
+            FutureWarning)
         return self.mgxs_type
 
     @name.setter
@@ -2258,12 +2258,12 @@ class MatrixMGXS(MGXS):
         The name of this MGXS type, to be used when printing and
         indexing in an HDF5 data store
 
-        .. versionadded:: 0.14
+        .. versionadded:: 0.13.1
     hdf5_key : str
         The key used to index multi-group cross sections in an HDF5 data store.
         This will be replaced by mgxs_type in the future.
 
-        .. deprecated:: 0.13.0
+        .. deprecated:: 0.13.1
 
     """
     @property
@@ -2760,12 +2760,12 @@ class TotalXS(MGXS):
         The name of this MGXS type, to be used when printing and
         indexing in an HDF5 data store
 
-        .. versionadded:: 0.14
+        .. versionadded:: 0.13.1
     hdf5_key : str
         The key used to index multi-group cross sections in an HDF5 data store.
         This will be replaced by mgxs_type in the future.
 
-        .. deprecated:: 0.13.0
+        .. deprecated:: 0.13.1
 
     """
 
@@ -2906,12 +2906,12 @@ class TransportXS(MGXS):
         The name of this MGXS type, to be used when printing and
         indexing in an HDF5 data store
 
-        .. versionadded:: 0.14
+        .. versionadded:: 0.13.1
     hdf5_key : str
         The key used to index multi-group cross sections in an HDF5 data store.
         This will be replaced by mgxs_type in the future.
 
-        .. deprecated:: 0.13.0
+        .. deprecated:: 0.13.1
 
     """
 
@@ -3152,12 +3152,12 @@ class DiffusionCoefficient(TransportXS):
         The name of this MGXS type, to be used when printing and
         indexing in an HDF5 data store
 
-        .. versionadded:: 0.14
+        .. versionadded:: 0.13.1
     hdf5_key : str
         The key used to index multi-group cross sections in an HDF5 data store.
         This will be replaced by mgxs_type in the future.
 
-        .. deprecated:: 0.13.0
+        .. deprecated:: 0.13.1
 
     """
 
@@ -3343,12 +3343,12 @@ class AbsorptionXS(MGXS):
         The name of this MGXS type, to be used when printing and
         indexing in an HDF5 data store
 
-        .. versionadded:: 0.14
+        .. versionadded:: 0.13.1
     hdf5_key : str
         The key used to index multi-group cross sections in an HDF5 data store.
         This will be replaced by mgxs_type in the future.
 
-        .. deprecated:: 0.13.0
+        .. deprecated:: 0.13.1
 
     """
 
@@ -3477,12 +3477,12 @@ class CaptureXS(MGXS):
         The name of this MGXS type, to be used when printing and
         indexing in an HDF5 data store
 
-        .. versionadded:: 0.14
+        .. versionadded:: 0.13.1
     hdf5_key : str
         The key used to index multi-group cross sections in an HDF5 data store.
         This will be replaced by mgxs_type in the future.
 
-        .. deprecated:: 0.13.0
+        .. deprecated:: 0.13.1
 
     """
 
@@ -3638,12 +3638,12 @@ class FissionXS(MGXS):
         The name of this MGXS type, to be used when printing and
         indexing in an HDF5 data store
 
-        .. versionadded:: 0.14
+        .. versionadded:: 0.13.1
     hdf5_key : str
         The key used to index multi-group cross sections in an HDF5 data store.
         This will be replaced by mgxs_type in the future.
 
-        .. deprecated:: 0.13.0
+        .. deprecated:: 0.13.1
 
     """
 
@@ -3814,12 +3814,12 @@ class KappaFissionXS(MGXS):
         The name of this MGXS type, to be used when printing and
         indexing in an HDF5 data store
 
-        .. versionadded:: 0.14
+        .. versionadded:: 0.13.1
     hdf5_key : str
         The key used to index multi-group cross sections in an HDF5 data store.
         This will be replaced by mgxs_type in the future.
 
-        .. deprecated:: 0.13.0
+        .. deprecated:: 0.13.1
 
     """
 
@@ -3953,12 +3953,12 @@ class ScatterXS(MGXS):
         The name of this MGXS type, to be used when printing and
         indexing in an HDF5 data store
 
-        .. versionadded:: 0.14
+        .. versionadded:: 0.13.1
     hdf5_key : str
         The key used to index multi-group cross sections in an HDF5 data store.
         This will be replaced by mgxs_type in the future.
 
-        .. deprecated:: 0.13.0
+        .. deprecated:: 0.13.1
 
     """
 
@@ -4105,12 +4105,12 @@ class ArbitraryXS(MGXS):
         The name of this MGXS type, to be used when printing and
         indexing in an HDF5 data store
 
-        .. versionadded:: 0.14
+        .. versionadded:: 0.13.1
     hdf5_key : str
         The key used to index multi-group cross sections in an HDF5 data store.
         This will be replaced by mgxs_type in the future.
 
-        .. deprecated:: 0.13.0
+        .. deprecated:: 0.13.1
 
     """
 
@@ -4245,12 +4245,12 @@ class ArbitraryMatrixXS(MatrixMGXS):
         The name of this MGXS type, to be used when printing and
         indexing in an HDF5 data store
 
-        .. versionadded:: 0.14
+        .. versionadded:: 0.13.1
     hdf5_key : str
         The key used to index multi-group cross sections in an HDF5 data store.
         This will be replaced by mgxs_type in the future.
 
-        .. deprecated:: 0.13.0
+        .. deprecated:: 0.13.1
 
     """
 
@@ -4455,12 +4455,12 @@ class ScatterMatrixXS(MatrixMGXS):
         The name of this MGXS type, to be used when printing and
         indexing in an HDF5 data store
 
-        .. versionadded:: 0.14
+        .. versionadded:: 0.13.1
     hdf5_key : str
         The key used to index multi-group cross sections in an HDF5 data store.
         This will be replaced by mgxs_type in the future.
 
-        .. deprecated:: 0.13.0
+        .. deprecated:: 0.13.1
 
     """
 
@@ -5550,12 +5550,12 @@ class MultiplicityMatrixXS(MatrixMGXS):
         The name of this MGXS type, to be used when printing and
         indexing in an HDF5 data store
 
-        .. versionadded:: 0.14
+        .. versionadded:: 0.13.1
     hdf5_key : str
         The key used to index multi-group cross sections in an HDF5 data store.
         This will be replaced by mgxs_type in the future.
 
-        .. deprecated:: 0.13.0
+        .. deprecated:: 0.13.1
 
     """
 
@@ -5731,12 +5731,12 @@ class ScatterProbabilityMatrix(MatrixMGXS):
         The name of this MGXS type, to be used when printing and
         indexing in an HDF5 data store
 
-        .. versionadded:: 0.14
+        .. versionadded:: 0.13.1
     hdf5_key : str
         The key used to index multi-group cross sections in an HDF5 data store.
         This will be replaced by mgxs_type in the future.
 
-        .. deprecated:: 0.13.0
+        .. deprecated:: 0.13.1
 
     """
 
@@ -5912,12 +5912,12 @@ class NuFissionMatrixXS(MatrixMGXS):
         The name of this MGXS type, to be used when printing and
         indexing in an HDF5 data store
 
-        .. versionadded:: 0.14
+        .. versionadded:: 0.13.1
     hdf5_key : str
         The key used to index multi-group cross sections in an HDF5 data store.
         This will be replaced by mgxs_type in the future.
 
-        .. deprecated:: 0.13.0
+        .. deprecated:: 0.13.1
 
     """
 
@@ -6078,12 +6078,12 @@ class Chi(MGXS):
         The name of this MGXS type, to be used when printing and
         indexing in an HDF5 data store
 
-        .. versionadded:: 0.14
+        .. versionadded:: 0.13.1
     hdf5_key : str
         The key used to index multi-group cross sections in an HDF5 data store.
         This will be replaced by mgxs_type in the future.
 
-        .. deprecated:: 0.13.0
+        .. deprecated:: 0.13.1
 
     """
 
@@ -6609,12 +6609,12 @@ class InverseVelocity(MGXS):
         The name of this MGXS type, to be used when printing and
         indexing in an HDF5 data store
 
-        .. versionadded:: 0.14
+        .. versionadded:: 0.13.1
     hdf5_key : str
         The key used to index multi-group cross sections in an HDF5 data store.
         This will be replaced by mgxs_type in the future.
 
-        .. deprecated:: 0.13.0
+        .. deprecated:: 0.13.1
 
     """
 
@@ -6736,12 +6736,12 @@ class MeshSurfaceMGXS(MGXS):
         The name of this MGXS type, to be used when printing and
         indexing in an HDF5 data store
 
-        .. versionadded:: 0.14
+        .. versionadded:: 0.13.1
     hdf5_key : str
         The key used to index multi-group cross sections in an HDF5 data store.
         This will be replaced by mgxs_type in the future.
 
-        .. deprecated:: 0.13.0
+        .. deprecated:: 0.13.1
     """
 
     def __init__(self, domain=None, domain_type=None, energy_groups=None,
@@ -7130,12 +7130,12 @@ class Current(MeshSurfaceMGXS):
         The name of this MGXS type, to be used when printing and
         indexing in an HDF5 data store
 
-        .. versionadded:: 0.14
+        .. versionadded:: 0.13.1
     hdf5_key : str
         The key used to index multi-group cross sections in an HDF5 data store.
         This will be replaced by mgxs_type in the future.
 
-        .. deprecated:: 0.13.0
+        .. deprecated:: 0.13.1
     """
 
     def __init__(self, domain=None, domain_type=None,

From 9888d9163bbb4f1f4acedc22de284c8afd7fa9b0 Mon Sep 17 00:00:00 2001
From: Hunter Belanger <hunter.belanger@gmail.com>
Date: Sat, 7 May 2022 11:57:32 +0200
Subject: [PATCH 0269/2654] Places configured version.h in source dir, for
 building with FetchContent

---
 .gitignore     | 1 +
 CMakeLists.txt | 3 +--
 2 files changed, 2 insertions(+), 2 deletions(-)

diff --git a/.gitignore b/.gitignore
index 88e59895d..b4ed5552f 100644
--- a/.gitignore
+++ b/.gitignore
@@ -51,6 +51,7 @@ src/CMakeFiles/
 src/bin/
 src/cmake_install.cmake
 src/install_manifest.txt
+include/openmc/version.h
 
 # Nuclear data
 scripts/nndc
diff --git a/CMakeLists.txt b/CMakeLists.txt
index 28f917956..0e5063c39 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -6,7 +6,7 @@ set(OPENMC_VERSION_MAJOR 0)
 set(OPENMC_VERSION_MINOR 13)
 set(OPENMC_VERSION_RELEASE 1)
 set(OPENMC_VERSION ${OPENMC_VERSION_MAJOR}.${OPENMC_VERSION_MINOR}.${OPENMC_VERSION_RELEASE})
-configure_file(include/openmc/version.h.in "${CMAKE_BINARY_DIR}/include/openmc/version.h" @ONLY)
+configure_file(include/openmc/version.h.in "${CMAKE_CURRENT_SOURCE_DIR}/include/openmc/version.h" @ONLY)
 
 # Setup output directories
 set(CMAKE_ARCHIVE_OUTPUT_DIRECTORY ${CMAKE_BINARY_DIR}/lib)
@@ -495,4 +495,3 @@ install(FILES
 install(FILES man/man1/openmc.1 DESTINATION ${CMAKE_INSTALL_MANDIR}/man1)
 install(FILES LICENSE DESTINATION "${CMAKE_INSTALL_DOCDIR}" RENAME copyright)
 install(DIRECTORY include/ DESTINATION ${CMAKE_INSTALL_INCLUDEDIR})
-install(FILES "${CMAKE_BINARY_DIR}/include/openmc/version.h" DESTINATION ${CMAKE_INSTALL_INCLUDEDIR}/openmc)

From 21930fa795fc443ccaf0d3f034cda314926a692f Mon Sep 17 00:00:00 2001
From: Adam Nelson <agnelson@anl.gov>
Date: Mon, 9 May 2022 10:22:28 -0500
Subject: [PATCH 0270/2654] Removing hdf5_key, and thus not keeping it as a
 deprecated interface to mgxs_type

---
 openmc/mgxs/mdgxs.py |  35 --------------
 openmc/mgxs/mgxs.py  | 108 -------------------------------------------
 2 files changed, 143 deletions(-)

diff --git a/openmc/mgxs/mdgxs.py b/openmc/mgxs/mdgxs.py
index ca8992212..287a2961d 100644
--- a/openmc/mgxs/mdgxs.py
+++ b/openmc/mgxs/mdgxs.py
@@ -125,11 +125,6 @@ class MDGXS(MGXS):
         indexing in an HDF5 data store
 
         .. versionadded:: 0.13.1
-    hdf5_key : str
-        The key used to index multi-group cross sections in an HDF5 data store.
-        This will be replaced by mgxs_type in the future.
-
-        .. deprecated:: 0.13.1
 
     """
 
@@ -1013,11 +1008,6 @@ class ChiDelayed(MDGXS):
         indexing in an HDF5 data store
 
         .. versionadded:: 0.13.1
-    hdf5_key : str
-        The key used to index multi-group cross sections in an HDF5 data store.
-        This will be replaced by mgxs_type in the future.
-
-        .. deprecated:: 0.13.1
 
     """
 
@@ -1537,11 +1527,6 @@ class DelayedNuFissionXS(MDGXS):
         indexing in an HDF5 data store
 
         .. versionadded:: 0.13.1
-    hdf5_key : str
-        The key used to index multi-group cross sections in an HDF5 data store.
-        This will be replaced by mgxs_type in the future.
-
-        .. deprecated:: 0.13.1
 
     """
 
@@ -1681,11 +1666,6 @@ class Beta(MDGXS):
         indexing in an HDF5 data store
 
         .. versionadded:: 0.13.1
-    hdf5_key : str
-        The key used to index multi-group cross sections in an HDF5 data store.
-        This will be replaced by mgxs_type in the future.
-
-        .. deprecated:: 0.13.1
 
     """
 
@@ -1879,11 +1859,6 @@ class DecayRate(MDGXS):
         indexing in an HDF5 data store
 
         .. versionadded:: 0.13.1
-    hdf5_key : str
-        The key used to index multi-group cross sections in an HDF5 data store.
-        This will be replaced by mgxs_type in the future.
-
-        .. deprecated:: 0.13.1
 
     """
 
@@ -2197,11 +2172,6 @@ class MatrixMDGXS(MDGXS):
         indexing in an HDF5 data store
 
         .. versionadded:: 0.13.1
-    hdf5_key : str
-        The key used to index multi-group cross sections in an HDF5 data store.
-        This will be replaced by mgxs_type in the future.
-
-        .. deprecated:: 0.13.1
 
     """
 
@@ -2801,11 +2771,6 @@ class DelayedNuFissionMatrixXS(MatrixMDGXS):
         indexing in an HDF5 data store
 
         .. versionadded:: 0.13.1
-    hdf5_key : str
-        The key used to index multi-group cross sections in an HDF5 data store.
-        This will be replaced by mgxs_type in the future.
-
-        .. deprecated:: 0.13.1
 
     """
 
diff --git a/openmc/mgxs/mgxs.py b/openmc/mgxs/mgxs.py
index 4211e9fb7..453c1d099 100644
--- a/openmc/mgxs/mgxs.py
+++ b/openmc/mgxs/mgxs.py
@@ -242,11 +242,6 @@ class MGXS:
         indexing in an HDF5 data store
 
         .. versionadded:: 0.13.1
-    hdf5_key : str
-        The key used to index multi-group cross sections in an HDF5 data store.
-        This will be replaced by mgxs_type in the future.
-
-        .. deprecated:: 0.13.1
 
     """
 
@@ -623,14 +618,6 @@ class MGXS:
         else:
             return self._rxn_type
 
-    @property
-    def hdf5_key(self):
-        warnings.warn(
-            f'The {type(self).__name__}.hdf5_key attribute will be removed '
-            f'in the future! Use {type(self).__name__}.mgxs_type instead',
-            FutureWarning)
-        return self.mgxs_type
-
     @name.setter
     def name(self, name):
         cv.check_type('name', name, str)
@@ -2259,11 +2246,6 @@ class MatrixMGXS(MGXS):
         indexing in an HDF5 data store
 
         .. versionadded:: 0.13.1
-    hdf5_key : str
-        The key used to index multi-group cross sections in an HDF5 data store.
-        This will be replaced by mgxs_type in the future.
-
-        .. deprecated:: 0.13.1
 
     """
     @property
@@ -2761,11 +2743,6 @@ class TotalXS(MGXS):
         indexing in an HDF5 data store
 
         .. versionadded:: 0.13.1
-    hdf5_key : str
-        The key used to index multi-group cross sections in an HDF5 data store.
-        This will be replaced by mgxs_type in the future.
-
-        .. deprecated:: 0.13.1
 
     """
 
@@ -2907,11 +2884,6 @@ class TransportXS(MGXS):
         indexing in an HDF5 data store
 
         .. versionadded:: 0.13.1
-    hdf5_key : str
-        The key used to index multi-group cross sections in an HDF5 data store.
-        This will be replaced by mgxs_type in the future.
-
-        .. deprecated:: 0.13.1
 
     """
 
@@ -3153,11 +3125,6 @@ class DiffusionCoefficient(TransportXS):
         indexing in an HDF5 data store
 
         .. versionadded:: 0.13.1
-    hdf5_key : str
-        The key used to index multi-group cross sections in an HDF5 data store.
-        This will be replaced by mgxs_type in the future.
-
-        .. deprecated:: 0.13.1
 
     """
 
@@ -3344,11 +3311,6 @@ class AbsorptionXS(MGXS):
         indexing in an HDF5 data store
 
         .. versionadded:: 0.13.1
-    hdf5_key : str
-        The key used to index multi-group cross sections in an HDF5 data store.
-        This will be replaced by mgxs_type in the future.
-
-        .. deprecated:: 0.13.1
 
     """
 
@@ -3478,11 +3440,6 @@ class CaptureXS(MGXS):
         indexing in an HDF5 data store
 
         .. versionadded:: 0.13.1
-    hdf5_key : str
-        The key used to index multi-group cross sections in an HDF5 data store.
-        This will be replaced by mgxs_type in the future.
-
-        .. deprecated:: 0.13.1
 
     """
 
@@ -3639,11 +3596,6 @@ class FissionXS(MGXS):
         indexing in an HDF5 data store
 
         .. versionadded:: 0.13.1
-    hdf5_key : str
-        The key used to index multi-group cross sections in an HDF5 data store.
-        This will be replaced by mgxs_type in the future.
-
-        .. deprecated:: 0.13.1
 
     """
 
@@ -3815,11 +3767,6 @@ class KappaFissionXS(MGXS):
         indexing in an HDF5 data store
 
         .. versionadded:: 0.13.1
-    hdf5_key : str
-        The key used to index multi-group cross sections in an HDF5 data store.
-        This will be replaced by mgxs_type in the future.
-
-        .. deprecated:: 0.13.1
 
     """
 
@@ -3954,11 +3901,6 @@ class ScatterXS(MGXS):
         indexing in an HDF5 data store
 
         .. versionadded:: 0.13.1
-    hdf5_key : str
-        The key used to index multi-group cross sections in an HDF5 data store.
-        This will be replaced by mgxs_type in the future.
-
-        .. deprecated:: 0.13.1
 
     """
 
@@ -4106,11 +4048,6 @@ class ArbitraryXS(MGXS):
         indexing in an HDF5 data store
 
         .. versionadded:: 0.13.1
-    hdf5_key : str
-        The key used to index multi-group cross sections in an HDF5 data store.
-        This will be replaced by mgxs_type in the future.
-
-        .. deprecated:: 0.13.1
 
     """
 
@@ -4246,11 +4183,6 @@ class ArbitraryMatrixXS(MatrixMGXS):
         indexing in an HDF5 data store
 
         .. versionadded:: 0.13.1
-    hdf5_key : str
-        The key used to index multi-group cross sections in an HDF5 data store.
-        This will be replaced by mgxs_type in the future.
-
-        .. deprecated:: 0.13.1
 
     """
 
@@ -4456,11 +4388,6 @@ class ScatterMatrixXS(MatrixMGXS):
         indexing in an HDF5 data store
 
         .. versionadded:: 0.13.1
-    hdf5_key : str
-        The key used to index multi-group cross sections in an HDF5 data store.
-        This will be replaced by mgxs_type in the future.
-
-        .. deprecated:: 0.13.1
 
     """
 
@@ -5551,11 +5478,6 @@ class MultiplicityMatrixXS(MatrixMGXS):
         indexing in an HDF5 data store
 
         .. versionadded:: 0.13.1
-    hdf5_key : str
-        The key used to index multi-group cross sections in an HDF5 data store.
-        This will be replaced by mgxs_type in the future.
-
-        .. deprecated:: 0.13.1
 
     """
 
@@ -5732,11 +5654,6 @@ class ScatterProbabilityMatrix(MatrixMGXS):
         indexing in an HDF5 data store
 
         .. versionadded:: 0.13.1
-    hdf5_key : str
-        The key used to index multi-group cross sections in an HDF5 data store.
-        This will be replaced by mgxs_type in the future.
-
-        .. deprecated:: 0.13.1
 
     """
 
@@ -5913,11 +5830,6 @@ class NuFissionMatrixXS(MatrixMGXS):
         indexing in an HDF5 data store
 
         .. versionadded:: 0.13.1
-    hdf5_key : str
-        The key used to index multi-group cross sections in an HDF5 data store.
-        This will be replaced by mgxs_type in the future.
-
-        .. deprecated:: 0.13.1
 
     """
 
@@ -6079,11 +5991,6 @@ class Chi(MGXS):
         indexing in an HDF5 data store
 
         .. versionadded:: 0.13.1
-    hdf5_key : str
-        The key used to index multi-group cross sections in an HDF5 data store.
-        This will be replaced by mgxs_type in the future.
-
-        .. deprecated:: 0.13.1
 
     """
 
@@ -6610,11 +6517,6 @@ class InverseVelocity(MGXS):
         indexing in an HDF5 data store
 
         .. versionadded:: 0.13.1
-    hdf5_key : str
-        The key used to index multi-group cross sections in an HDF5 data store.
-        This will be replaced by mgxs_type in the future.
-
-        .. deprecated:: 0.13.1
 
     """
 
@@ -6737,11 +6639,6 @@ class MeshSurfaceMGXS(MGXS):
         indexing in an HDF5 data store
 
         .. versionadded:: 0.13.1
-    hdf5_key : str
-        The key used to index multi-group cross sections in an HDF5 data store.
-        This will be replaced by mgxs_type in the future.
-
-        .. deprecated:: 0.13.1
     """
 
     def __init__(self, domain=None, domain_type=None, energy_groups=None,
@@ -7131,11 +7028,6 @@ class Current(MeshSurfaceMGXS):
         indexing in an HDF5 data store
 
         .. versionadded:: 0.13.1
-    hdf5_key : str
-        The key used to index multi-group cross sections in an HDF5 data store.
-        This will be replaced by mgxs_type in the future.
-
-        .. deprecated:: 0.13.1
     """
 
     def __init__(self, domain=None, domain_type=None,

From 021215a2b9fc9194cf42dc152e7ca6246fac3c87 Mon Sep 17 00:00:00 2001
From: cpf <chris1218@gmx.de>
Date: Mon, 9 May 2022 20:03:28 +0200
Subject: [PATCH 0271/2654] included paulromanos suggestions

---
 docs/source/io_formats/settings.rst |  7 ++++---
 openmc/stats/multivariate.py        | 24 ++++++++++++------------
 src/distribution_spatial.cpp        | 25 +++++++++++--------------
 3 files changed, 27 insertions(+), 29 deletions(-)

diff --git a/docs/source/io_formats/settings.rst b/docs/source/io_formats/settings.rst
index d2c15c56f..a5cf36ece 100644
--- a/docs/source/io_formats/settings.rst
+++ b/docs/source/io_formats/settings.rst
@@ -490,9 +490,10 @@ attributes/sub-elements:
       independent distributions of r-, phi-, and z-coordinates where phi is the
       azimuthal angle and the origin for the cylindrical coordinate system is
       specified by origin. A "spherical" spatial distribution specifies
-      independent distributions of r-, theta-, and phi-coordinates where theta
-      is the angle with respect to the z-axis, phi is the azimuthal angle, and
-      the sphere is centered on the coordinate (x0,y0,z0).
+      independent distributions of r-, cos_theta-, and phi-coordinates where
+      cos_theta is the cosinus of the angle with respect to the z-axis, phi is
+      the azimuthal angle, and the sphere is centered on the coordinate
+      (x0,y0,z0).
 
       *Default*: None
 
diff --git a/openmc/stats/multivariate.py b/openmc/stats/multivariate.py
index 8635bcd71..c1de22bb6 100644
--- a/openmc/stats/multivariate.py
+++ b/openmc/stats/multivariate.py
@@ -399,9 +399,9 @@ class SphericalIndependent(Spatial):
     ----------
     r : openmc.stats.Univariate
         Distribution of r-coordinates in the local reference frame
-    theta : openmc.stats.Univariate
-        Distribution of theta-coordinates (angle relative to the z-axis) in the
-        local reference frame
+    cos_theta : openmc.stats.Univariate
+        Distribution of the cosinus of the theta-coordinates (angle relative to
+        the z-axis) in the local reference frame
     phi : openmc.stats.Univariate
         Distribution of phi-coordinates (azimuthal angle) in the local
         reference frame
@@ -411,9 +411,9 @@ class SphericalIndependent(Spatial):
 
     """
 
-    def __init__(self, r, theta, phi, origin=(0.0, 0.0, 0.0)):
+    def __init__(self, r, cos_theta, phi, origin=(0.0, 0.0, 0.0)):
         self.r = r
-        self.theta = theta
+        self.cos_theta = cos_theta
         self.phi = phi
         self.origin = origin
 
@@ -422,8 +422,8 @@ class SphericalIndependent(Spatial):
         return self._r
 
     @property
-    def theta(self):
-        return self._theta
+    def cos_theta(self):
+        return self._cos_theta
 
     @property
     def phi(self):
@@ -438,10 +438,10 @@ class SphericalIndependent(Spatial):
         cv.check_type('r coordinate', r, Univariate)
         self._r = r
 
-    @theta.setter
-    def theta(self, theta):
-        cv.check_type('theta coordinate', theta, Univariate)
-        self._theta = theta
+    @cos_theta.setter
+    def cos_theta(self, cos_theta):
+        cv.check_type('cos_theta coordinate', cos_theta, Univariate)
+        self._cos_theta = cos_theta
 
     @phi.setter
     def phi(self, phi):
@@ -466,7 +466,7 @@ class SphericalIndependent(Spatial):
         element = ET.Element('space')
         element.set('type', 'spherical')
         element.append(self.r.to_xml_element('r'))
-        element.append(self.theta.to_xml_element('theta'))
+        element.append(self.cos_theta.to_xml_element('cos_theta'))
         element.append(self.phi.to_xml_element('phi'))
         element.set("origin", ' '.join(map(str, self.origin)))
         return element
diff --git a/src/distribution_spatial.cpp b/src/distribution_spatial.cpp
index 6a15992e1..2542842c3 100644
--- a/src/distribution_spatial.cpp
+++ b/src/distribution_spatial.cpp
@@ -132,15 +132,15 @@ SphericalIndependent::SphericalIndependent(pugi::xml_node node)
     r_ = make_unique<Discrete>(x, p, 1);
   }
 
-  // Read distribution for theta-coordinate
-  if (check_for_node(node, "theta")) {
-    pugi::xml_node node_dist = node.child("theta");
-    theta_ = distribution_from_xml(node_dist);
+  // Read distribution for cos_theta-coordinate
+  if (check_for_node(node, "cos_theta")) {
+    pugi::xml_node node_dist = node.child("cos_theta");
+    cos_theta_ = distribution_from_xml(node_dist);
   } else {
-    // If no distribution was specified, default to a single point at theta=0
+    // If no distribution was specified, default to a single point at cos_theta=0
     double x[] {0.0};
     double p[] {1.0};
-    theta_ = make_unique<Discrete>(x, p, 1);
+    cos_theta_ = make_unique<Discrete>(x, p, 1);
   }
 
   // Read distribution for phi-coordinate
@@ -171,15 +171,12 @@ SphericalIndependent::SphericalIndependent(pugi::xml_node node)
 Position SphericalIndependent::sample(uint64_t* seed) const
 {
   double r = r_->sample(seed);
-  double theta = theta_->sample(seed);
-  // To distribute the points uniformly in the sphere, we must ensure that
-  // cos(theta) and not theta is uniformly distributed.
-  // This is done with theta_cos.
-  double theta_cos = std::acos((theta / (0.5 * PI)) - 1);
+  double cos_theta = cos_theta_->sample(seed);
   double phi = phi_->sample(seed);
-  double x = r * sin(theta_cos) * cos(phi) + origin_.x;
-  double y = r * sin(theta_cos) * sin(phi) + origin_.y;
-  double z = r * cos(theta_cos) + origin_.z;
+  // sin(theta) by sin**2 + cos**2 = 1
+  double x = r * std::pow(1 - std::pow(cos_theta, 2.0), 0.5) * cos(phi) + origin_.x;
+  double y = r * std::pow(1 - std::pow(cos_theta, 2.0), 0.5) * sin(phi) + origin_.y;
+  double z = r * cos_theta + origin_.z;
   return {x, y, z};
 }
 

From b9b119bc736b3802ff947bc39f79e9ca37978d50 Mon Sep 17 00:00:00 2001
From: cpf <chris1218@gmx.de>
Date: Mon, 9 May 2022 20:09:28 +0200
Subject: [PATCH 0272/2654] changed theta to cos_theta in .h file

---
 include/openmc/distribution_spatial.h | 12 ++++++------
 1 file changed, 6 insertions(+), 6 deletions(-)

diff --git a/include/openmc/distribution_spatial.h b/include/openmc/distribution_spatial.h
index 9cceee184..5e426b878 100644
--- a/include/openmc/distribution_spatial.h
+++ b/include/openmc/distribution_spatial.h
@@ -70,7 +70,7 @@ private:
 };
 
 //==============================================================================
-//! Distribution of points specified by spherical coordinates r,theta,phi
+//! Distribution of points specified by spherical coordinates r,cos_theta,phi
 //==============================================================================
 
 class SphericalIndependent : public SpatialDistribution {
@@ -83,15 +83,15 @@ public:
   Position sample(uint64_t* seed) const;
 
   Distribution* r() const { return r_.get(); }
-  Distribution* theta() const { return theta_.get(); }
+  Distribution* cos_theta() const { return cos_theta_.get(); }
   Distribution* phi() const { return phi_.get(); }
   Position origin() const { return origin_; }
 
 private:
-  UPtrDist r_;      //!< Distribution of r coordinates
-  UPtrDist theta_;  //!< Distribution of theta coordinates
-  UPtrDist phi_;    //!< Distribution of phi coordinates
-  Position origin_; //!< Cartesian coordinates of the sphere center
+  UPtrDist r_;         //!< Distribution of r coordinates
+  UPtrDist cos_theta_; //!< Distribution of cos_theta coordinates
+  UPtrDist phi_;       //!< Distribution of phi coordinates
+  Position origin_;    //!< Cartesian coordinates of the sphere center
 };
 
 //==============================================================================

From 31648dd1a28cc7d4c7859dc35c6be509ef795487 Mon Sep 17 00:00:00 2001
From: cpf <chris1218@gmx.de>
Date: Mon, 9 May 2022 20:23:18 +0200
Subject: [PATCH 0273/2654] some more theta -> cos_theta

---
 openmc/stats/multivariate.py | 14 +++++++-------
 1 file changed, 7 insertions(+), 7 deletions(-)

diff --git a/openmc/stats/multivariate.py b/openmc/stats/multivariate.py
index c1de22bb6..53ff06ad9 100644
--- a/openmc/stats/multivariate.py
+++ b/openmc/stats/multivariate.py
@@ -375,8 +375,8 @@ class SphericalIndependent(Spatial):
     r"""Spatial distribution represented in spherical coordinates.
 
     This distribution allows one to specify coordinates whose :math:`r`,
-    :math:`\theta`, and :math:`\phi` components are sampled independently from
-    one another and centered on the coordinates (x0, y0, z0).
+    :math:`\cos_theta`, and :math:`\phi` components are sampled independently
+    from one another and centered on the coordinates (x0, y0, z0).
 
     .. versionadded: 0.12
 
@@ -385,9 +385,9 @@ class SphericalIndependent(Spatial):
     r : openmc.stats.Univariate
         Distribution of r-coordinates in a reference frame specified by
         the origin parameter
-    theta : openmc.stats.Univariate
-        Distribution of theta-coordinates (angle relative to the z-axis) in a
-        reference frame specified by the origin parameter
+    cos_theta : openmc.stats.Univariate
+        Distribution of the cosinus of the theta-coordinates (angle relative to
+        the z-axis) in a reference frame specified by the origin parameter
     phi : openmc.stats.Univariate
         Distribution of phi-coordinates (azimuthal angle) in a reference frame
         specified by the origin parameter
@@ -487,10 +487,10 @@ class SphericalIndependent(Spatial):
 
         """
         r = Univariate.from_xml_element(elem.find('r'))
-        theta = Univariate.from_xml_element(elem.find('theta'))
+        cos_theta = Univariate.from_xml_element(elem.find('cos_theta'))
         phi = Univariate.from_xml_element(elem.find('phi'))
         origin = [float(x) for x in elem.get('origin').split()]
-        return cls(r, theta, phi, origin=origin)
+        return cls(r, cos_theta, phi, origin=origin)
 
 
 class CylindricalIndependent(Spatial):

From 198eb76cab1e25a5a50c026cec9e520fd7ebead9 Mon Sep 17 00:00:00 2001
From: Hunter Belanger <hunter.belanger@gmail.com>
Date: Mon, 9 May 2022 21:20:08 +0200
Subject: [PATCH 0274/2654] Revert "Places configured version.h in source dir,
 for building with FetchContent"

This reverts commit 9888d9163bbb4f1f4acedc22de284c8afd7fa9b0.
---
 .gitignore     | 1 -
 CMakeLists.txt | 3 ++-
 2 files changed, 2 insertions(+), 2 deletions(-)

diff --git a/.gitignore b/.gitignore
index b4ed5552f..88e59895d 100644
--- a/.gitignore
+++ b/.gitignore
@@ -51,7 +51,6 @@ src/CMakeFiles/
 src/bin/
 src/cmake_install.cmake
 src/install_manifest.txt
-include/openmc/version.h
 
 # Nuclear data
 scripts/nndc
diff --git a/CMakeLists.txt b/CMakeLists.txt
index 0e5063c39..28f917956 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -6,7 +6,7 @@ set(OPENMC_VERSION_MAJOR 0)
 set(OPENMC_VERSION_MINOR 13)
 set(OPENMC_VERSION_RELEASE 1)
 set(OPENMC_VERSION ${OPENMC_VERSION_MAJOR}.${OPENMC_VERSION_MINOR}.${OPENMC_VERSION_RELEASE})
-configure_file(include/openmc/version.h.in "${CMAKE_CURRENT_SOURCE_DIR}/include/openmc/version.h" @ONLY)
+configure_file(include/openmc/version.h.in "${CMAKE_BINARY_DIR}/include/openmc/version.h" @ONLY)
 
 # Setup output directories
 set(CMAKE_ARCHIVE_OUTPUT_DIRECTORY ${CMAKE_BINARY_DIR}/lib)
@@ -495,3 +495,4 @@ install(FILES
 install(FILES man/man1/openmc.1 DESTINATION ${CMAKE_INSTALL_MANDIR}/man1)
 install(FILES LICENSE DESTINATION "${CMAKE_INSTALL_DOCDIR}" RENAME copyright)
 install(DIRECTORY include/ DESTINATION ${CMAKE_INSTALL_INCLUDEDIR})
+install(FILES "${CMAKE_BINARY_DIR}/include/openmc/version.h" DESTINATION ${CMAKE_INSTALL_INCLUDEDIR}/openmc)

From bd3fe3a893fa91eabc8ff1e0f0990228697248f3 Mon Sep 17 00:00:00 2001
From: Hunter Belanger <hunter.belanger@gmail.com>
Date: Mon, 9 May 2022 21:22:19 +0200
Subject: [PATCH 0275/2654] Makes modification to build includes suggested by
 @paulromano

---
 CMakeLists.txt | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 28f917956..3f0d4807a 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -394,7 +394,8 @@ target_include_directories(libopenmc
 target_compile_options(libopenmc PRIVATE ${cxxflags})
 
 # Add include directory for configured version file
-target_include_directories(libopenmc PRIVATE ${CMAKE_BINARY_DIR}/include)
+target_include_directories(libopenmc
+  PUBLIC $<BUILD_INTERFACE:${CMAKE_BINARY_DIR}/include>)
 
 if (HDF5_IS_PARALLEL)
   target_compile_definitions(libopenmc PRIVATE -DPHDF5)

From df30923a338561f3e8e5bcea6893f352b508c7b5 Mon Sep 17 00:00:00 2001
From: Hunter Belanger <hunter.belanger@gmail.com>
Date: Mon, 9 May 2022 21:47:06 +0200
Subject: [PATCH 0276/2654] Adds include guards to version.h.in

---
 include/openmc/version.h.in | 5 +++++
 1 file changed, 5 insertions(+)

diff --git a/include/openmc/version.h.in b/include/openmc/version.h.in
index 2933746e2..e1c2b0541 100644
--- a/include/openmc/version.h.in
+++ b/include/openmc/version.h.in
@@ -1,3 +1,6 @@
+#ifndef OPENMC_VERSION_H
+#define OPENMC_VERSION_H
+
 #include "openmc/array.h"
 
 namespace openmc {
@@ -12,3 +15,5 @@ constexpr std::array<int, 3> VERSION {VERSION_MAJOR, VERSION_MINOR, VERSION_RELE
 // clang-format on
 
 } // namespace openmc
+
+#endif // OPENMC_VERSION_H

From 8ec37d80d22d4d8ea1fc25caa29c96086397cf46 Mon Sep 17 00:00:00 2001
From: Christopher Fichtlscherer
 <29277544+cfichtlscherer@users.noreply.github.com>
Date: Tue, 10 May 2022 09:17:01 +0200
Subject: [PATCH 0277/2654] Update docs/source/io_formats/settings.rst

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 docs/source/io_formats/settings.rst | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/docs/source/io_formats/settings.rst b/docs/source/io_formats/settings.rst
index a5cf36ece..1a8f63716 100644
--- a/docs/source/io_formats/settings.rst
+++ b/docs/source/io_formats/settings.rst
@@ -491,7 +491,7 @@ attributes/sub-elements:
       azimuthal angle and the origin for the cylindrical coordinate system is
       specified by origin. A "spherical" spatial distribution specifies
       independent distributions of r-, cos_theta-, and phi-coordinates where
-      cos_theta is the cosinus of the angle with respect to the z-axis, phi is
+      cos_theta is the cosine of the angle with respect to the z-axis, phi is
       the azimuthal angle, and the sphere is centered on the coordinate
       (x0,y0,z0).
 

From 6ba42d2cc436d6ee285c1a2a12fcf12971bbbbb4 Mon Sep 17 00:00:00 2001
From: Christopher Fichtlscherer
 <29277544+cfichtlscherer@users.noreply.github.com>
Date: Tue, 10 May 2022 09:17:23 +0200
Subject: [PATCH 0278/2654] Update openmc/stats/multivariate.py

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/stats/multivariate.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/stats/multivariate.py b/openmc/stats/multivariate.py
index 53ff06ad9..e0de89a56 100644
--- a/openmc/stats/multivariate.py
+++ b/openmc/stats/multivariate.py
@@ -386,7 +386,7 @@ class SphericalIndependent(Spatial):
         Distribution of r-coordinates in a reference frame specified by
         the origin parameter
     cos_theta : openmc.stats.Univariate
-        Distribution of the cosinus of the theta-coordinates (angle relative to
+        Distribution of the cosine of the theta-coordinates (angle relative to
         the z-axis) in a reference frame specified by the origin parameter
     phi : openmc.stats.Univariate
         Distribution of phi-coordinates (azimuthal angle) in a reference frame

From 06d85de2c32ff8581e41e9251d022242ed217025 Mon Sep 17 00:00:00 2001
From: Christopher Fichtlscherer
 <29277544+cfichtlscherer@users.noreply.github.com>
Date: Tue, 10 May 2022 09:17:34 +0200
Subject: [PATCH 0279/2654] Update openmc/stats/multivariate.py

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/stats/multivariate.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/stats/multivariate.py b/openmc/stats/multivariate.py
index e0de89a56..42cbc74c6 100644
--- a/openmc/stats/multivariate.py
+++ b/openmc/stats/multivariate.py
@@ -375,7 +375,7 @@ class SphericalIndependent(Spatial):
     r"""Spatial distribution represented in spherical coordinates.
 
     This distribution allows one to specify coordinates whose :math:`r`,
-    :math:`\cos_theta`, and :math:`\phi` components are sampled independently
+    :math:`\theta`, and :math:`\phi` components are sampled independently
     from one another and centered on the coordinates (x0, y0, z0).
 
     .. versionadded: 0.12

From 31ebeb13275868c085e599eac4d22a0afe4826aa Mon Sep 17 00:00:00 2001
From: Christopher Fichtlscherer
 <29277544+cfichtlscherer@users.noreply.github.com>
Date: Tue, 10 May 2022 09:17:40 +0200
Subject: [PATCH 0280/2654] Update openmc/stats/multivariate.py

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/stats/multivariate.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/stats/multivariate.py b/openmc/stats/multivariate.py
index 42cbc74c6..6c41bfbbd 100644
--- a/openmc/stats/multivariate.py
+++ b/openmc/stats/multivariate.py
@@ -400,7 +400,7 @@ class SphericalIndependent(Spatial):
     r : openmc.stats.Univariate
         Distribution of r-coordinates in the local reference frame
     cos_theta : openmc.stats.Univariate
-        Distribution of the cosinus of the theta-coordinates (angle relative to
+        Distribution of the cosine of the theta-coordinates (angle relative to
         the z-axis) in the local reference frame
     phi : openmc.stats.Univariate
         Distribution of phi-coordinates (azimuthal angle) in the local

From 9073aa5f72998ea40e137ccaa3a236f789866662 Mon Sep 17 00:00:00 2001
From: Christopher Fichtlscherer
 <29277544+cfichtlscherer@users.noreply.github.com>
Date: Tue, 10 May 2022 09:17:50 +0200
Subject: [PATCH 0281/2654] Update src/distribution_spatial.cpp

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 src/distribution_spatial.cpp | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/src/distribution_spatial.cpp b/src/distribution_spatial.cpp
index 2542842c3..a06f84d80 100644
--- a/src/distribution_spatial.cpp
+++ b/src/distribution_spatial.cpp
@@ -174,8 +174,8 @@ Position SphericalIndependent::sample(uint64_t* seed) const
   double cos_theta = cos_theta_->sample(seed);
   double phi = phi_->sample(seed);
   // sin(theta) by sin**2 + cos**2 = 1
-  double x = r * std::pow(1 - std::pow(cos_theta, 2.0), 0.5) * cos(phi) + origin_.x;
-  double y = r * std::pow(1 - std::pow(cos_theta, 2.0), 0.5) * sin(phi) + origin_.y;
+  double x = r * std::sqrt(1 - cos_theta * cos_theta) * cos(phi) + origin_.x;
+  double y = r * std::sqrt(1 - cos_theta * cos_theta) * sin(phi) + origin_.y;
   double z = r * cos_theta + origin_.z;
   return {x, y, z};
 }

From a8f1d476620fbf0ffec62ab33d6c50f6c3ea9829 Mon Sep 17 00:00:00 2001
From: cpf <chris1218@gmx.de>
Date: Tue, 10 May 2022 15:40:37 +0200
Subject: [PATCH 0282/2654] added a spherical source as a helping class

---
 openmc/stats/multivariate.py | 139 ++++++++++++++++++++++++++++++++++-
 1 file changed, 136 insertions(+), 3 deletions(-)

diff --git a/openmc/stats/multivariate.py b/openmc/stats/multivariate.py
index 6c41bfbbd..22b1a8bba 100644
--- a/openmc/stats/multivariate.py
+++ b/openmc/stats/multivariate.py
@@ -208,7 +208,6 @@ class Monodirectional(UnitSphere):
 
     """
 
-
     def __init__(self, reference_uvw=[1., 0., 0.]):
         super().__init__(reference_uvw)
 
@@ -272,6 +271,8 @@ class Spatial(ABC):
             return SphericalIndependent.from_xml_element(elem)
         elif distribution == 'box' or distribution == 'fission':
             return Box.from_xml_element(elem)
+        elif distribution == 'sphericalshell':
+            return SphericalShell.from_xml_element(elem)
         elif distribution == 'point':
             return Point.from_xml_element(elem)
 
@@ -375,7 +376,7 @@ class SphericalIndependent(Spatial):
     r"""Spatial distribution represented in spherical coordinates.
 
     This distribution allows one to specify coordinates whose :math:`r`,
-    :math:`\theta`, and :math:`\phi` components are sampled independently
+    :math:`\cos_theta`, and :math:`\phi` components are sampled independently
     from one another and centered on the coordinates (x0, y0, z0).
 
     .. versionadded: 0.12
@@ -640,7 +641,6 @@ class Box(Spatial):
 
     """
 
-
     def __init__(self, lower_left, upper_right, only_fissionable=False):
         self.lower_left = lower_left
         self.upper_right = upper_right
@@ -779,3 +779,136 @@ class Point(Spatial):
         """
         xyz = [float(x) for x in get_text(elem, 'parameters').split()]
         return cls(xyz)
+
+
+class SphericalShell(Spatial):
+    r"""Spatial distribution for points in a spherical shell.
+
+    This distribution is a helper that creates points uniformly distributed in
+    a spherical shell using the class SphericalIndependent.
+
+    It allows one to sample points independly in a spherical shell, specified
+    by (r1, r2), (theta1, theta2), (phi1, phi2) centered on the coordinates
+    (x0, y0, z0).
+
+    .. versionadded: 0.13
+
+    Parameters
+    ----------
+    radii : Iterable of float
+        Inner radius r1 and outer radius r2 of the spherical shell.
+    thetas : Iterable of float
+        Start theta1 and end theta2 of the theta-coordinates (angle relative to
+        the z-axis) in a reference frame specified by the origin parameter
+    phis : Iterable of float
+        Start phi1 and end phi2 of the phi-coordinates (azimuthal angle) in a
+        reference frame specified by the origin parameter
+    origin: Iterable of float, optional
+        coordinates (x0, y0, z0) of the center of the spherical reference frame
+        for the source. Defaults to (0.0, 0.0, 0.0)
+
+    Attributes
+    ----------
+    radii : Iterable of float
+        Inner radius r1 and outer radius r2 of the spherical shell.
+    thetas : Iterable of float
+        Start theta1 and end theta2 of the theta-coordinates (angle relative to
+        the z-axis) in a reference frame specified by the origin parameter
+    phis : Iterable of float
+        Start phi1 and end phi2 of the phi-coordinates (azimuthal angle) in a
+        reference frame specified by the origin parameter
+    origin: Iterable of float, optional
+        coordinates (x0, y0, z0) of the center of the spherical reference frame
+        for the source. Defaults to (0.0, 0.0, 0.0)
+
+    """
+
+    def __init__(self, radii, thetas, phis, origin=(0.0, 0.0, 0.0)):
+        self.radii = radii
+        self.thetas = thetas
+        self.phis = phis
+        self.origin = origin
+
+    @property
+    def radii(self):
+        return self._radii
+
+    @property
+    def thetas(self):
+        return self._thetas
+
+    @property
+    def phis(self):
+        return self._phis
+
+    @property
+    def origin(self):
+        return self._origin
+
+    @radii.setter
+    def radii(self, radii):
+        cv.check_type('radii values', radii, Iterable, Real)
+        self._radii = radii
+
+    @thetas.setter
+    def thetas(self, thetas):
+        cv.check_type('thetas values', thetas, Iterable, Real)
+        self._thetas = thetas
+
+    @phis.setter
+    def phis(self, phis):
+        cv.check_type('phis values', phis, Iterable, Real)
+        self._phis = phis
+
+    @origin.setter
+    def origin(self, origin):
+        cv.check_type('origin coordinates', origin, Iterable, Real)
+        origin = np.asarray(origin)
+        self._origin = origin
+
+    def to_xml_element(self):
+        """Return XML representation of the spatial distribution
+
+        Returns
+        -------
+        element : xml.etree.ElementTree.Element
+            XML element containing spatial distribution data
+
+        """
+        element = ET.Element('space')
+        element.set('type', 'spherical')
+        sub_element_radii = ET.SubElement(element, 'r')
+        # the 2.0 is necessary to define the radius in the power law
+        sub_element_radii.set('parameters', ' '.join(map(str, self.radii))+' 2.0')
+        sub_element_radii.set('type', 'powerlaw')
+        sub_element_thetas = ET.SubElement(element, 'cos_theta')
+        # the sphericalIndependent class takes the arccos of theta
+        cos_thetas = np.cos(self.thetas)
+        sub_element_thetas.set('parameters', ' '.join(map(str, cos_thetas)))
+        sub_element_thetas.set('type', 'uniform')
+        sub_element_phis = ET.SubElement(element, 'phi')
+        sub_element_phis.set('parameters', ' '.join(map(str, self.phis)))
+        sub_element_phis.set('type', 'uniform')
+        element.set('origin', ' '.join(map(str, self.origin)))
+        return element
+
+    @classmethod
+    def from_xml_element(cls, elem):
+        """Generate spatial distribution from an XML element
+
+        Parameters
+        ----------
+        elem : xml.etree.ElementTree.Element
+            XML element
+
+        Returns
+        -------
+        openmc.stats.SphericalIndependent
+            Spatial distribution generated from XML element
+
+        """
+        r = Univariate.from_xml_element(elem.find('r'))
+        cos_theta = Univariate.from_xml_element(elem.find('cos_theta'))
+        phi = Univariate.from_xml_element(elem.find('phi'))
+        origin = [float(x) for x in elem.get('origin').split()]
+        return cls(r, cos_theta, phi, origin=origin)

From 178adb084319827c09e7ceac76368a1da829adc1 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 11 May 2022 14:47:07 -0500
Subject: [PATCH 0283/2654] Consistency check in Discrete.merge method

---
 openmc/stats/univariate.py | 3 +++
 1 file changed, 3 insertions(+)

diff --git a/openmc/stats/univariate.py b/openmc/stats/univariate.py
index c9f314793..e4a9b8f92 100644
--- a/openmc/stats/univariate.py
+++ b/openmc/stats/univariate.py
@@ -174,6 +174,9 @@ class Discrete(Univariate):
             Combined discrete distribution
 
         """
+        if len(dists) != len(probs):
+            raise ValueError("Number of distributions and probabilities must match.")
+
         # Combine distributions accounting for duplicate x values
         x_merged = set()
         p_merged = defaultdict(float)

From fc454abcd1a98dd796623f16dc6d32b4fce7aa63 Mon Sep 17 00:00:00 2001
From: Kalin Kiesling <kkiesling@anl.gov>
Date: Thu, 12 May 2022 13:18:53 -0500
Subject: [PATCH 0284/2654] updated conda install to specify using mamba
 instead

---
 docs/source/quickinstall.rst | 26 +++++++++++++++++++-------
 1 file changed, 19 insertions(+), 7 deletions(-)

diff --git a/docs/source/quickinstall.rst b/docs/source/quickinstall.rst
index e3138a53b..f3225191e 100644
--- a/docs/source/quickinstall.rst
+++ b/docs/source/quickinstall.rst
@@ -8,13 +8,15 @@ This quick install guide outlines the basic steps needed to install OpenMC on
 your computer. For more detailed instructions on configuring and installing
 OpenMC, see :ref:`usersguide_install` in the User's Manual.
 
-----------------------------------------
-Installing on Linux/Mac with conda-forge
-----------------------------------------
+--------------------------------------------------
+Installing on Linux/Mac with Mamba and conda-forge
+--------------------------------------------------
 
-`Conda <https://conda.io/en/latest/>`_ is an open source package management
-system and environment management system for installing multiple versions of
-software packages and their dependencies and switching easily between them. If
+`Conda <https://conda.io/en/latest/>`_ and `Mamba <https://mamba.readthedocs.io/en/latest/>`_
+are an open source package management systems and environments management
+system for installing multiple versions of software packages and their
+dependencies and switching easily between them.
+All conda packages can be installed with  If
 you have `conda` installed on your system, OpenMC can be installed via the
 `conda-forge` channel. First, add the `conda-forge` channel with:
 
@@ -22,6 +24,12 @@ you have `conda` installed on your system, OpenMC can be installed via the
 
     conda config --add channels conda-forge
 
+Then install `mamba`, which will later be used to install OpenMC in the conda environment.
+
+.. code-block:: sh
+
+    conda install mamba
+
 To list the versions of OpenMC that are available on the `conda-forge` channel,
 in your terminal window or an Anaconda Prompt run:
 
@@ -33,7 +41,7 @@ OpenMC can then be installed with:
 
 .. code-block:: sh
 
-    conda create -n openmc-env openmc
+    mamba create -n openmc-env openmc
 
 This will install OpenMC in a conda environment called `openmc-env`. To activate
 the environment, run:
@@ -42,6 +50,10 @@ the environment, run:
 
     conda activate openmc-env
 
+.. note:: If you are already familiar with conda for package management,
+          please note that OpenMC is currently only supported to be installed
+          with `mamba` and not `conda` (ie, `conda install openmc` may not work).
+
 -------------------------------------------
 Installing on Linux/Mac/Windows with Docker
 -------------------------------------------

From ea74bf0e4ae30819299fcaa9e6ea08fdd83d3683 Mon Sep 17 00:00:00 2001
From: Kalin Kiesling <kkiesling@anl.gov>
Date: Thu, 12 May 2022 13:20:40 -0500
Subject: [PATCH 0285/2654] typo

---
 docs/source/quickinstall.rst | 5 ++---
 1 file changed, 2 insertions(+), 3 deletions(-)

diff --git a/docs/source/quickinstall.rst b/docs/source/quickinstall.rst
index f3225191e..cd848d395 100644
--- a/docs/source/quickinstall.rst
+++ b/docs/source/quickinstall.rst
@@ -15,9 +15,8 @@ Installing on Linux/Mac with Mamba and conda-forge
 `Conda <https://conda.io/en/latest/>`_ and `Mamba <https://mamba.readthedocs.io/en/latest/>`_
 are an open source package management systems and environments management
 system for installing multiple versions of software packages and their
-dependencies and switching easily between them.
-All conda packages can be installed with  If
-you have `conda` installed on your system, OpenMC can be installed via the
+dependencies and switching easily between them. If you have `conda` installed
+on your system, OpenMC can be installed via the
 `conda-forge` channel. First, add the `conda-forge` channel with:
 
 .. code-block:: sh

From d8dc09e3153a860523134b566a3a1ec728948fc2 Mon Sep 17 00:00:00 2001
From: Kalin Kiesling <kkiesling@anl.gov>
Date: Thu, 12 May 2022 13:29:00 -0500
Subject: [PATCH 0286/2654] mamba create -n opemnc actually still uses conda
 install, so updated to make it two different steps to avoid failure

---
 docs/source/quickinstall.rst | 18 ++++++++++--------
 1 file changed, 10 insertions(+), 8 deletions(-)

diff --git a/docs/source/quickinstall.rst b/docs/source/quickinstall.rst
index cd848d395..57ff2b479 100644
--- a/docs/source/quickinstall.rst
+++ b/docs/source/quickinstall.rst
@@ -34,20 +34,22 @@ in your terminal window or an Anaconda Prompt run:
 
 .. code-block:: sh
 
-    conda search openmc
+    mamba search openmc
+
+First create and activate a new conda enviroment called `openmc-env` in which to install OpenMC.
+
+.. code-block:: sh
+
+    conda create -n openmc-env
+    conda activate openmc-env
 
 OpenMC can then be installed with:
 
 .. code-block:: sh
 
-    mamba create -n openmc-env openmc
+    mamba install openmc
 
-This will install OpenMC in a conda environment called `openmc-env`. To activate
-the environment, run:
-
-.. code-block:: sh
-
-    conda activate openmc-env
+You are now in a conda environment called `openmc-env` that has OpenMC installed.
 
 .. note:: If you are already familiar with conda for package management,
           please note that OpenMC is currently only supported to be installed

From 0ba342c88475300998542266f66476e49f420321 Mon Sep 17 00:00:00 2001
From: cpf <chris1218@gmx.de>
Date: Fri, 13 May 2022 21:14:44 +0200
Subject: [PATCH 0287/2654] Define function spherical_uniform instead of class
 SphericalIndependent

---
 openmc/stats/multivariate.py | 121 +++--------------------------------
 1 file changed, 10 insertions(+), 111 deletions(-)

diff --git a/openmc/stats/multivariate.py b/openmc/stats/multivariate.py
index 22b1a8bba..67337f2d6 100644
--- a/openmc/stats/multivariate.py
+++ b/openmc/stats/multivariate.py
@@ -8,7 +8,7 @@ import numpy as np
 
 import openmc.checkvalue as cv
 from .._xml import get_text
-from .univariate import Univariate, Uniform
+from .univariate import Univariate, Uniform, PowerLaw
 
 
 class UnitSphere(ABC):
@@ -271,8 +271,6 @@ class Spatial(ABC):
             return SphericalIndependent.from_xml_element(elem)
         elif distribution == 'box' or distribution == 'fission':
             return Box.from_xml_element(elem)
-        elif distribution == 'sphericalshell':
-            return SphericalShell.from_xml_element(elem)
         elif distribution == 'point':
             return Point.from_xml_element(elem)
 
@@ -781,11 +779,11 @@ class Point(Spatial):
         return cls(xyz)
 
 
-class SphericalShell(Spatial):
-    r"""Spatial distribution for points in a spherical shell.
-
-    This distribution is a helper that creates points uniformly distributed in
-    a spherical shell using the class SphericalIndependent.
+def spherical_uniform(r_outer, r_inner=0.0, thetas=(0., pi), phis=(0., 2*pi),
+                      origin=(0., 0., 0.)):
+    r"""
+    This function is a helper that makes it easier to create points uniformly
+    distributed in a spherical shell using the class SphericalIndependent.
 
     It allows one to sample points independly in a spherical shell, specified
     by (r1, r2), (theta1, theta2), (phi1, phi2) centered on the coordinates
@@ -806,109 +804,10 @@ class SphericalShell(Spatial):
     origin: Iterable of float, optional
         coordinates (x0, y0, z0) of the center of the spherical reference frame
         for the source. Defaults to (0.0, 0.0, 0.0)
-
-    Attributes
-    ----------
-    radii : Iterable of float
-        Inner radius r1 and outer radius r2 of the spherical shell.
-    thetas : Iterable of float
-        Start theta1 and end theta2 of the theta-coordinates (angle relative to
-        the z-axis) in a reference frame specified by the origin parameter
-    phis : Iterable of float
-        Start phi1 and end phi2 of the phi-coordinates (azimuthal angle) in a
-        reference frame specified by the origin parameter
-    origin: Iterable of float, optional
-        coordinates (x0, y0, z0) of the center of the spherical reference frame
-        for the source. Defaults to (0.0, 0.0, 0.0)
-
     """
 
-    def __init__(self, radii, thetas, phis, origin=(0.0, 0.0, 0.0)):
-        self.radii = radii
-        self.thetas = thetas
-        self.phis = phis
-        self.origin = origin
+    r_dist = PowerLaw(r_inner, r_outer, 2)
+    cos_thetas_dist = Uniform(np.cos(thetas[0]), np.cos(thetas[1]))
+    phis_dist = Uniform(phis[0], phis[1])
 
-    @property
-    def radii(self):
-        return self._radii
-
-    @property
-    def thetas(self):
-        return self._thetas
-
-    @property
-    def phis(self):
-        return self._phis
-
-    @property
-    def origin(self):
-        return self._origin
-
-    @radii.setter
-    def radii(self, radii):
-        cv.check_type('radii values', radii, Iterable, Real)
-        self._radii = radii
-
-    @thetas.setter
-    def thetas(self, thetas):
-        cv.check_type('thetas values', thetas, Iterable, Real)
-        self._thetas = thetas
-
-    @phis.setter
-    def phis(self, phis):
-        cv.check_type('phis values', phis, Iterable, Real)
-        self._phis = phis
-
-    @origin.setter
-    def origin(self, origin):
-        cv.check_type('origin coordinates', origin, Iterable, Real)
-        origin = np.asarray(origin)
-        self._origin = origin
-
-    def to_xml_element(self):
-        """Return XML representation of the spatial distribution
-
-        Returns
-        -------
-        element : xml.etree.ElementTree.Element
-            XML element containing spatial distribution data
-
-        """
-        element = ET.Element('space')
-        element.set('type', 'spherical')
-        sub_element_radii = ET.SubElement(element, 'r')
-        # the 2.0 is necessary to define the radius in the power law
-        sub_element_radii.set('parameters', ' '.join(map(str, self.radii))+' 2.0')
-        sub_element_radii.set('type', 'powerlaw')
-        sub_element_thetas = ET.SubElement(element, 'cos_theta')
-        # the sphericalIndependent class takes the arccos of theta
-        cos_thetas = np.cos(self.thetas)
-        sub_element_thetas.set('parameters', ' '.join(map(str, cos_thetas)))
-        sub_element_thetas.set('type', 'uniform')
-        sub_element_phis = ET.SubElement(element, 'phi')
-        sub_element_phis.set('parameters', ' '.join(map(str, self.phis)))
-        sub_element_phis.set('type', 'uniform')
-        element.set('origin', ' '.join(map(str, self.origin)))
-        return element
-
-    @classmethod
-    def from_xml_element(cls, elem):
-        """Generate spatial distribution from an XML element
-
-        Parameters
-        ----------
-        elem : xml.etree.ElementTree.Element
-            XML element
-
-        Returns
-        -------
-        openmc.stats.SphericalIndependent
-            Spatial distribution generated from XML element
-
-        """
-        r = Univariate.from_xml_element(elem.find('r'))
-        cos_theta = Univariate.from_xml_element(elem.find('cos_theta'))
-        phi = Univariate.from_xml_element(elem.find('phi'))
-        origin = [float(x) for x in elem.get('origin').split()]
-        return cls(r, cos_theta, phi, origin=origin)
+    return SphericalIndependent(r_dist, cos_thetas_dist, phis_dist, origin)

From 0def5bf655944af815ce6c73af22be5cffd10997 Mon Sep 17 00:00:00 2001
From: Christopher Fichtlscherer
 <29277544+cfichtlscherer@users.noreply.github.com>
Date: Sat, 14 May 2022 09:08:54 +0200
Subject: [PATCH 0288/2654] Update openmc/stats/multivariate.py

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/stats/multivariate.py | 12 +++++-------
 1 file changed, 5 insertions(+), 7 deletions(-)

diff --git a/openmc/stats/multivariate.py b/openmc/stats/multivariate.py
index 67337f2d6..1649d45a1 100644
--- a/openmc/stats/multivariate.py
+++ b/openmc/stats/multivariate.py
@@ -781,15 +781,13 @@ class Point(Spatial):
 
 def spherical_uniform(r_outer, r_inner=0.0, thetas=(0., pi), phis=(0., 2*pi),
                       origin=(0., 0., 0.)):
-    r"""
-    This function is a helper that makes it easier to create points uniformly
-    distributed in a spherical shell using the class SphericalIndependent.
+    """Return a uniform spatial distribution over a spherical shell.
 
-    It allows one to sample points independly in a spherical shell, specified
-    by (r1, r2), (theta1, theta2), (phi1, phi2) centered on the coordinates
-    (x0, y0, z0).
+    This function provides a uniform spatial distribution over a spherical
+    shell between `r_inner` and `r_outer`. Optionally, the range of angles
+    can be restricted by the `thetas` and `phis` arguments.
 
-    .. versionadded: 0.13
+    .. versionadded: 0.13.1
 
     Parameters
     ----------

From 7bcad5e7b6948c841cb155190698a4449efff447 Mon Sep 17 00:00:00 2001
From: Christopher Fichtlscherer
 <29277544+cfichtlscherer@users.noreply.github.com>
Date: Sat, 14 May 2022 09:09:21 +0200
Subject: [PATCH 0289/2654] Update openmc/stats/multivariate.py

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/stats/multivariate.py | 29 ++++++++++++++++++-----------
 1 file changed, 18 insertions(+), 11 deletions(-)

diff --git a/openmc/stats/multivariate.py b/openmc/stats/multivariate.py
index 1649d45a1..bbd11a15e 100644
--- a/openmc/stats/multivariate.py
+++ b/openmc/stats/multivariate.py
@@ -791,17 +791,24 @@ def spherical_uniform(r_outer, r_inner=0.0, thetas=(0., pi), phis=(0., 2*pi),
 
     Parameters
     ----------
-    radii : Iterable of float
-        Inner radius r1 and outer radius r2 of the spherical shell.
-    thetas : Iterable of float
-        Start theta1 and end theta2 of the theta-coordinates (angle relative to
-        the z-axis) in a reference frame specified by the origin parameter
-    phis : Iterable of float
-        Start phi1 and end phi2 of the phi-coordinates (azimuthal angle) in a
-        reference frame specified by the origin parameter
-    origin: Iterable of float, optional
-        coordinates (x0, y0, z0) of the center of the spherical reference frame
-        for the source. Defaults to (0.0, 0.0, 0.0)
+    r_outer : float
+        Outer radius of the spherical shell in [cm]
+    r_inner : float, optional
+        Inner radius of the spherical shell in [cm]
+    thetas : iterable of float, optional
+        Starting and ending theta coordinates (angle relative to
+        the z-axis) in radius in a reference frame centered at `origin`
+    phis : iterable of float, optional
+        Starting and ending phi coordinates (azimuthal angle) in
+        radians in a reference frame centered at `origin`
+    origin: iterable of float, optional
+        Coordinates (x0, y0, z0) of the center of the spherical
+        reference frame for the distribution.
+
+    Returns
+    -------
+    openmc.stats.SphericalIndependent
+        Uniform distribution over the spherical shell
     """
 
     r_dist = PowerLaw(r_inner, r_outer, 2)

From 6806f73bd43d36bb6cb378de69d90b6eef8c828c Mon Sep 17 00:00:00 2001
From: cpf <chris1218@gmx.de>
Date: Sat, 14 May 2022 09:12:07 +0200
Subject: [PATCH 0290/2654] missing import

---
 openmc/stats/multivariate.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/stats/multivariate.py b/openmc/stats/multivariate.py
index bbd11a15e..56f682056 100644
--- a/openmc/stats/multivariate.py
+++ b/openmc/stats/multivariate.py
@@ -1,6 +1,6 @@
 from abc import ABC, abstractmethod
 from collections.abc import Iterable
-from math import pi
+from math import pi, cos
 from numbers import Real
 from xml.etree import ElementTree as ET
 

From dba3a0be2f128792bcd20936e67f52c819b32389 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Sat, 14 May 2022 18:44:57 -0500
Subject: [PATCH 0291/2654] Err msg for missing DAGMC file

---
 src/dagmc.cpp | 3 +++
 1 file changed, 3 insertions(+)

diff --git a/src/dagmc.cpp b/src/dagmc.cpp
index 9b894d3bb..8131c9929 100644
--- a/src/dagmc.cpp
+++ b/src/dagmc.cpp
@@ -50,6 +50,9 @@ DAGUniverse::DAGUniverse(pugi::xml_node node)
 
   if (check_for_node(node, "filename")) {
     filename_ = get_node_value(node, "filename");
+    if (!file_exists(filename_)) {
+      fatal_error(fmt::format("DAGMC file '{}' could not be found", filename_));
+    }
   } else {
     fatal_error("Must specify a file for the DAGMC universe");
   }

From 8b62ee36350a9ed5c813a1583c0382ae28f3758e Mon Sep 17 00:00:00 2001
From: Christopher Fichtlscherer
 <29277544+cfichtlscherer@users.noreply.github.com>
Date: Mon, 16 May 2022 14:38:46 +0200
Subject: [PATCH 0292/2654] Update openmc/stats/multivariate.py

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/stats/multivariate.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/stats/multivariate.py b/openmc/stats/multivariate.py
index 56f682056..228bdf9ea 100644
--- a/openmc/stats/multivariate.py
+++ b/openmc/stats/multivariate.py
@@ -812,7 +812,7 @@ def spherical_uniform(r_outer, r_inner=0.0, thetas=(0., pi), phis=(0., 2*pi),
     """
 
     r_dist = PowerLaw(r_inner, r_outer, 2)
-    cos_thetas_dist = Uniform(np.cos(thetas[0]), np.cos(thetas[1]))
+    cos_thetas_dist = Uniform(cos(thetas[1]), cos(thetas[0]))
     phis_dist = Uniform(phis[0], phis[1])
 
     return SphericalIndependent(r_dist, cos_thetas_dist, phis_dist, origin)

From 44d591ff48ffe3cde7a758290a396c4ba741e7c4 Mon Sep 17 00:00:00 2001
From: Christopher Fichtlscherer
 <29277544+cfichtlscherer@users.noreply.github.com>
Date: Mon, 16 May 2022 14:39:28 +0200
Subject: [PATCH 0293/2654] Update openmc/stats/multivariate.py

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/stats/multivariate.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/stats/multivariate.py b/openmc/stats/multivariate.py
index 228bdf9ea..98c76ea67 100644
--- a/openmc/stats/multivariate.py
+++ b/openmc/stats/multivariate.py
@@ -374,7 +374,7 @@ class SphericalIndependent(Spatial):
     r"""Spatial distribution represented in spherical coordinates.
 
     This distribution allows one to specify coordinates whose :math:`r`,
-    :math:`\cos_theta`, and :math:`\phi` components are sampled independently
+    :math:`\theta`, and :math:`\phi` components are sampled independently
     from one another and centered on the coordinates (x0, y0, z0).
 
     .. versionadded: 0.12

From 4efb74317951f13571867d97f9171dbe3a59ebab Mon Sep 17 00:00:00 2001
From: Kalin Kiesling <kkiesling@anl.gov>
Date: Mon, 16 May 2022 11:29:14 -0500
Subject: [PATCH 0294/2654] reorder mamba install instructions

---
 docs/source/quickinstall.rst | 24 +++++++++++-------------
 1 file changed, 11 insertions(+), 13 deletions(-)

diff --git a/docs/source/quickinstall.rst b/docs/source/quickinstall.rst
index 57ff2b479..db2d464b3 100644
--- a/docs/source/quickinstall.rst
+++ b/docs/source/quickinstall.rst
@@ -17,13 +17,22 @@ are an open source package management systems and environments management
 system for installing multiple versions of software packages and their
 dependencies and switching easily between them. If you have `conda` installed
 on your system, OpenMC can be installed via the
-`conda-forge` channel. First, add the `conda-forge` channel with:
+`conda-forge` channel.
+
+First, add the `conda-forge` channel with:
 
 .. code-block:: sh
 
     conda config --add channels conda-forge
 
-Then install `mamba`, which will later be used to install OpenMC in the conda environment.
+Then create and activate a new conda enviroment called `openmc-env` in which to install OpenMC.
+
+.. code-block:: sh
+
+    conda create -n openmc-env
+    conda activate openmc-env
+
+Then install `mamba`, which will be used to install OpenMC.
 
 .. code-block:: sh
 
@@ -36,13 +45,6 @@ in your terminal window or an Anaconda Prompt run:
 
     mamba search openmc
 
-First create and activate a new conda enviroment called `openmc-env` in which to install OpenMC.
-
-.. code-block:: sh
-
-    conda create -n openmc-env
-    conda activate openmc-env
-
 OpenMC can then be installed with:
 
 .. code-block:: sh
@@ -51,10 +53,6 @@ OpenMC can then be installed with:
 
 You are now in a conda environment called `openmc-env` that has OpenMC installed.
 
-.. note:: If you are already familiar with conda for package management,
-          please note that OpenMC is currently only supported to be installed
-          with `mamba` and not `conda` (ie, `conda install openmc` may not work).
-
 -------------------------------------------
 Installing on Linux/Mac/Windows with Docker
 -------------------------------------------

From 3a44e1fce9bff829d759865c1f79c0e5a435f086 Mon Sep 17 00:00:00 2001
From: Kalin Kiesling <kkiesling@anl.gov>
Date: Mon, 16 May 2022 11:39:40 -0500
Subject: [PATCH 0295/2654] more details on mamba vs conda

---
 docs/source/quickinstall.rst | 20 +++++++++++++-------
 1 file changed, 13 insertions(+), 7 deletions(-)

diff --git a/docs/source/quickinstall.rst b/docs/source/quickinstall.rst
index db2d464b3..81a442f47 100644
--- a/docs/source/quickinstall.rst
+++ b/docs/source/quickinstall.rst
@@ -12,12 +12,17 @@ OpenMC, see :ref:`usersguide_install` in the User's Manual.
 Installing on Linux/Mac with Mamba and conda-forge
 --------------------------------------------------
 
-`Conda <https://conda.io/en/latest/>`_ and `Mamba <https://mamba.readthedocs.io/en/latest/>`_
-are an open source package management systems and environments management
-system for installing multiple versions of software packages and their
-dependencies and switching easily between them. If you have `conda` installed
-on your system, OpenMC can be installed via the
-`conda-forge` channel.
+`Conda <https://conda.io/en/latest/>`_ is an open source package management
+systems and environments management system for installing multiple versions of
+software packages and their dependencies and switching easily between them.
+`Mamba <https://mamba.readthedocs.io/en/latest/>`_ is a cross-platform package
+manager and is compatible with `conda` packages.
+OpenMC can be installed in a `conda` environment with `mamba`.
+First, `conda` should be installed with one of the following installers:
+`Miniconda <https://docs.conda.io/en/latest/miniconda.html>`_,
+`Anaconda <https://www.anaconda.com/>`_, or `Miniforge <https://github.com/conda-forge/miniforge>`_.
+Once you have `conda` installed on your system, OpenMC can be installed via the
+`conda-forge` channel with `mamba`.
 
 First, add the `conda-forge` channel with:
 
@@ -25,7 +30,8 @@ First, add the `conda-forge` channel with:
 
     conda config --add channels conda-forge
 
-Then create and activate a new conda enviroment called `openmc-env` in which to install OpenMC.
+Then create and activate a new conda enviroment called `openmc-env` in
+which to install OpenMC.
 
 .. code-block:: sh
 

From 2b779091daabc71a982727fb9d482f5611588ae0 Mon Sep 17 00:00:00 2001
From: Kalin Kiesling <kkiesling@anl.gov>
Date: Mon, 16 May 2022 11:41:03 -0500
Subject: [PATCH 0296/2654] update same info in install.rst

---
 docs/source/usersguide/install.rst | 49 ++++++++++++++++++++----------
 1 file changed, 33 insertions(+), 16 deletions(-)

diff --git a/docs/source/usersguide/install.rst b/docs/source/usersguide/install.rst
index 3e3f7754a..d05c00bb3 100644
--- a/docs/source/usersguide/install.rst
+++ b/docs/source/usersguide/install.rst
@@ -8,39 +8,56 @@ Installation and Configuration
 
 .. _install_conda:
 
-----------------------------------------
-Installing on Linux/Mac with conda-forge
-----------------------------------------
+--------------------------------------------------
+Installing on Linux/Mac with Mamba and conda-forge
+--------------------------------------------------
 
-Conda_ is an open source package management system and environment management
-system for installing multiple versions of software packages and their
-dependencies and switching easily between them. If you have `conda` installed on
-your system, OpenMC can be installed via the `conda-forge` channel. First, add
-the `conda-forge` channel with:
+`Conda <https://conda.io/en/latest/>`_ is an open source package management
+systems and environments management system for installing multiple versions of
+software packages and their dependencies and switching easily between them.
+`Mamba <https://mamba.readthedocs.io/en/latest/>`_ is a cross-platform package
+manager and is compatible with `conda` packages.
+OpenMC can be installed in a `conda` environment with `mamba`.
+First, `conda` should be installed with one of the following installers:
+`Miniconda <https://docs.conda.io/en/latest/miniconda.html>`_,
+`Anaconda <https://www.anaconda.com/>`_, or `Miniforge <https://github.com/conda-forge/miniforge>`_.
+Once you have `conda` installed on your system, OpenMC can be installed via the
+`conda-forge` channel with `mamba`.
+
+First, add the `conda-forge` channel with:
 
 .. code-block:: sh
 
     conda config --add channels conda-forge
 
+Then create and activate a new conda enviroment called `openmc-env` in
+which to install OpenMC.
+
+.. code-block:: sh
+
+    conda create -n openmc-env
+    conda activate openmc-env
+
+Then install `mamba`, which will be used to install OpenMC.
+
+.. code-block:: sh
+
+    conda install mamba
+
 To list the versions of OpenMC that are available on the `conda-forge` channel,
 in your terminal window or an Anaconda Prompt run:
 
 .. code-block:: sh
 
-    conda search openmc
+    mamba search openmc
 
 OpenMC can then be installed with:
 
 .. code-block:: sh
 
-    conda create -n openmc-env openmc
+    mamba install openmc
 
-This will install OpenMC in a conda environment called `openmc-env`. To activate
-the environment, run:
-
-.. code-block:: sh
-
-    conda activate openmc-env
+You are now in a conda environment called `openmc-env` that has OpenMC installed.
 
 -------------------------------------------
 Installing on Linux/Mac/Windows with Docker

From a6bd42ee8ebaf4d317da79c5e7770c99f5db58b4 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 12 May 2022 12:45:20 -0500
Subject: [PATCH 0297/2654] Expand Particle::tracks_ to include full state

---
 include/openmc/particle_data.h | 21 ++++++++++++++++++++-
 src/particle_data.cpp          | 18 ++++++++++++++++++
 src/track_output.cpp           |  8 ++++----
 3 files changed, 42 insertions(+), 5 deletions(-)

diff --git a/include/openmc/particle_data.h b/include/openmc/particle_data.h
index ddf072517..8c1f4deab 100644
--- a/include/openmc/particle_data.h
+++ b/include/openmc/particle_data.h
@@ -56,6 +56,18 @@ struct SourceSite {
   int64_t progeny_id;
 };
 
+//! State of a particle used for particle track files
+struct TrackState {
+  Position r;
+  Direction u;
+  double E;
+  double time {0.0};
+  double wgt {1.0};
+  int cell_id;
+  int material_id {-1};
+  ParticleType particle;
+};
+
 //! Saved ("banked") state of a particle, for nu-fission tallying
 struct NuBank {
   double E;          //!< particle energy
@@ -290,7 +302,7 @@ private:
 
   vector<FilterMatch> filter_matches_; // tally filter matches
 
-  vector<vector<Position>> tracks_; // tracks for outputting to file
+  vector<vector<TrackState>> tracks_; // tracks for outputting to file
 
   vector<NuBank> nu_bank_; // bank of most recently fissioned particles
 
@@ -342,6 +354,9 @@ public:
   const LocalCoord& coord(int i) const { return coord_[i]; }
   const vector<LocalCoord>& coord() const { return coord_; }
 
+  LocalCoord& lowest_coord() { return coord_[n_coord_ - 1]; }
+  const LocalCoord& lowest_coord() const { return coord_[n_coord_ - 1]; }
+
   int& n_coord_last() { return n_coord_last_; }
   const int& n_coord_last() const { return n_coord_last_; }
   int& cell_last(int i) { return cell_last_[i]; }
@@ -357,6 +372,7 @@ public:
   const int& g_last() const { return g_last_; }
 
   double& wgt() { return wgt_; }
+  double wgt() const { return wgt_; }
   double& mu() { return mu_; }
   const double& mu() const { return mu_; }
   double& time() { return time_; }
@@ -479,6 +495,9 @@ public:
     n_coord_ = 1;
   }
 
+  //! Get track information based on particle's current state
+  TrackState get_track_state() const;
+
   void zero_delayed_bank()
   {
     for (int& n : n_delayed_bank_) {
diff --git a/src/particle_data.cpp b/src/particle_data.cpp
index 701e6cbc0..be34fbc9b 100644
--- a/src/particle_data.cpp
+++ b/src/particle_data.cpp
@@ -1,6 +1,8 @@
 #include "openmc/particle_data.h"
 
+#include "openmc/cell.h"
 #include "openmc/geometry.h"
+#include "openmc/material.h"
 #include "openmc/nuclide.h"
 #include "openmc/photon.h"
 #include "openmc/settings.h"
@@ -53,4 +55,20 @@ ParticleData::ParticleData()
   photon_xs_.resize(data::elements.size());
 }
 
+TrackState ParticleData::get_track_state() const
+{
+  TrackState state;
+  state.r = this->r();
+  state.u = this->u();
+  state.E = this->E();
+  state.time = this->time();
+  state.wgt = this->wgt();
+  state.cell_id = model::cells[this->lowest_coord().cell]->id_;
+  if (this->material() != MATERIAL_VOID) {
+    state.material_id = model::materials[material()]->id_;
+  }
+  state.particle = this->type();
+  return state;
+}
+
 } // namespace openmc
diff --git a/src/track_output.cpp b/src/track_output.cpp
index 065c2d465..7d4dff124 100644
--- a/src/track_output.cpp
+++ b/src/track_output.cpp
@@ -30,7 +30,7 @@ void add_particle_track(Particle& p)
 
 void write_particle_track(Particle& p)
 {
-  p.tracks().back().push_back(p.r());
+  p.tracks().back().push_back(p.get_track_state());
 }
 
 void finalize_particle_track(Particle& p)
@@ -57,9 +57,9 @@ void finalize_particle_track(Particle& p)
       size_t n = t.size();
       xt::xtensor<double, 2> data({n, 3});
       for (int j = 0; j < n; ++j) {
-        data(j, 0) = t[j].x;
-        data(j, 1) = t[j].y;
-        data(j, 2) = t[j].z;
+        data(j, 0) = t[j].r.x;
+        data(j, 1) = t[j].r.y;
+        data(j, 2) = t[j].r.z;
       }
       std::string name = fmt::format("coordinates_{}", i);
       write_dataset(file_id, name.c_str(), data);

From 8b270dd59b465e88f41f75a7f9864c23e8f72353 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 12 May 2022 17:17:20 -0500
Subject: [PATCH 0298/2654] Change track file format to include all information

---
 scripts/openmc-track-to-vtk                 | 24 +++-----
 src/track_output.cpp                        | 65 ++++++++++++++++-----
 tests/regression_tests/track_output/test.py |  1 -
 3 files changed, 58 insertions(+), 32 deletions(-)

diff --git a/scripts/openmc-track-to-vtk b/scripts/openmc-track-to-vtk
index 3c781d19e..d1b2f828a 100755
--- a/scripts/openmc-track-to-vtk
+++ b/scripts/openmc-track-to-vtk
@@ -4,9 +4,7 @@
 
 """
 
-import os
 import argparse
-import struct
 
 import h5py
 import vtk
@@ -38,28 +36,24 @@ def main():
     # Initialize data arrays and offset.
     points = vtk.vtkPoints()
     cells = vtk.vtkCellArray()
-    point_offset = 0
     for fname in args.input:
         # Write coordinate values to points array.
         track = h5py.File(fname)
-        n_particles = track.attrs['n_particles']
-        n_coords = track.attrs['n_coords']
-        coords = []
-        for i in range(n_particles):
-            coords.append(track['coordinates_' + str(i + 1)][()])
-            for j in range(n_coords[i]):
-                points.InsertNextPoint(coords[i][j,:])
+        offsets = track.attrs['offsets']
+        for start, end in zip(offsets[:-1], offsets[1:]):
+            tracks = track['tracks'][start:end]
+            for arr in tracks:
+                points.InsertNextPoint(arr['r'])
 
-        for i in range(n_particles):
+        for start, end in zip(offsets[:-1], offsets[1:]):
             # Create VTK line and assign points to line.
             line = vtk.vtkPolyLine()
-            line.GetPointIds().SetNumberOfIds(n_coords[i])
-            for j in range(n_coords[i]):
-                line.GetPointIds().SetId(j, point_offset + j)
+            line.GetPointIds().SetNumberOfIds(end - start)
+            for j in range(end - start):
+                line.GetPointIds().SetId(j, start + j)
 
             # Add line to cell array
             cells.InsertNextCell(line)
-            point_offset += n_coords[i]
 
     data = vtk.vtkPolyData()
     data.SetPoints(points)
diff --git a/src/track_output.cpp b/src/track_output.cpp
index 7d4dff124..3d04a73ba 100644
--- a/src/track_output.cpp
+++ b/src/track_output.cpp
@@ -33,6 +33,31 @@ void write_particle_track(Particle& p)
   p.tracks().back().push_back(p.get_track_state());
 }
 
+hid_t trackstate_type()
+{
+  // Create compound type for Position
+  hid_t postype = H5Tcreate(H5T_COMPOUND, sizeof(struct Position));
+  H5Tinsert(postype, "x", HOFFSET(Position, x), H5T_NATIVE_DOUBLE);
+  H5Tinsert(postype, "y", HOFFSET(Position, y), H5T_NATIVE_DOUBLE);
+  H5Tinsert(postype, "z", HOFFSET(Position, z), H5T_NATIVE_DOUBLE);
+
+  // Create compound type for TrackState
+  hid_t tracktype = H5Tcreate(H5T_COMPOUND, sizeof(struct TrackState));
+  H5Tinsert(tracktype, "r", HOFFSET(TrackState, r), postype);
+  H5Tinsert(tracktype, "u", HOFFSET(TrackState, u), postype);
+  H5Tinsert(tracktype, "E", HOFFSET(TrackState, E), H5T_NATIVE_DOUBLE);
+  H5Tinsert(tracktype, "time", HOFFSET(TrackState, time), H5T_NATIVE_DOUBLE);
+  H5Tinsert(tracktype, "wgt", HOFFSET(TrackState, wgt), H5T_NATIVE_DOUBLE);
+  H5Tinsert(tracktype, "cell_id", HOFFSET(TrackState, cell_id), H5T_NATIVE_INT);
+  H5Tinsert(
+    tracktype, "material_id", HOFFSET(TrackState, material_id), H5T_NATIVE_INT);
+  H5Tinsert(
+    tracktype, "particle", HOFFSET(TrackState, particle), H5T_NATIVE_INT);
+
+  H5Tclose(postype);
+  return tracktype;
+}
+
 void finalize_particle_track(Particle& p)
 {
   std::string filename =
@@ -40,10 +65,15 @@ void finalize_particle_track(Particle& p)
       simulation::current_batch, simulation::current_gen, p.id());
 
   // Determine number of coordinates for each particle
-  vector<int> n_coords;
-  for (auto& coords : p.tracks()) {
-    n_coords.push_back(coords.size());
+  vector<int> offsets;
+  vector<TrackState> tracks;
+  int offset = 0;
+  for (auto& track_i : p.tracks()) {
+    offsets.push_back(offset);
+    offset += track_i.size();
+    tracks.insert(tracks.end(), track_i.begin(), track_i.end());
   }
+  offsets.push_back(offset);
 
 #pragma omp critical(FinalizeParticleTrack)
   {
@@ -51,19 +81,22 @@ void finalize_particle_track(Particle& p)
     write_attribute(file_id, "filetype", "track");
     write_attribute(file_id, "version", VERSION_TRACK);
     write_attribute(file_id, "n_particles", p.tracks().size());
-    write_attribute(file_id, "n_coords", n_coords);
-    for (auto i = 1; i <= p.tracks().size(); ++i) {
-      const auto& t {p.tracks()[i - 1]};
-      size_t n = t.size();
-      xt::xtensor<double, 2> data({n, 3});
-      for (int j = 0; j < n; ++j) {
-        data(j, 0) = t[j].r.x;
-        data(j, 1) = t[j].r.y;
-        data(j, 2) = t[j].r.z;
-      }
-      std::string name = fmt::format("coordinates_{}", i);
-      write_dataset(file_id, name.c_str(), data);
-    }
+    write_attribute(file_id, "offsets", offsets);
+
+    // Create HDF5 datatype for TrackState
+    hid_t track_type = trackstate_type();
+
+    // Write array of TrackState to file
+    hsize_t dims[] {static_cast<hsize_t>(tracks.size())};
+    hid_t dspace = H5Screate_simple(1, dims, nullptr);
+    hid_t dset = H5Dcreate(file_id, "tracks", track_type, dspace, H5P_DEFAULT,
+      H5P_DEFAULT, H5P_DEFAULT);
+    H5Dwrite(dset, track_type, H5S_ALL, H5S_ALL, H5P_DEFAULT, tracks.data());
+
+    // Free resources
+    H5Dclose(dset);
+    H5Sclose(dspace);
+    H5Tclose(track_type);
     file_close(file_id);
   }
 
diff --git a/tests/regression_tests/track_output/test.py b/tests/regression_tests/track_output/test.py
index a5300a4ae..1501d3fd6 100644
--- a/tests/regression_tests/track_output/test.py
+++ b/tests/regression_tests/track_output/test.py
@@ -1,7 +1,6 @@
 import glob
 import os
 from subprocess import call
-import shutil
 
 import pytest
 

From 452a24c8ce78aea4f4d02e55a92bb2930b524960 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 13 May 2022 07:17:15 -0500
Subject: [PATCH 0299/2654] Fix writing final position of each particle to
 track file

---
 src/particle.cpp | 6 +++++-
 1 file changed, 5 insertions(+), 1 deletion(-)

diff --git a/src/particle.cpp b/src/particle.cpp
index b622a4d69..78139079e 100644
--- a/src/particle.cpp
+++ b/src/particle.cpp
@@ -337,6 +337,11 @@ void Particle::event_revive_from_secondary()
 
   // Check for secondary particles if this particle is dead
   if (!alive()) {
+    // Write final position for this particle
+    if (write_track()) {
+      write_particle_track(*this);
+    }
+
     // If no secondary particles, break out of event loop
     if (secondary_bank().empty())
       return;
@@ -359,7 +364,6 @@ void Particle::event_death()
 
   // Finish particle track output.
   if (write_track()) {
-    write_particle_track(*this);
     finalize_particle_track(*this);
   }
 

From b32d4b5ed3b82b25d5f86cb22b0aaf079ae35f10 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 13 May 2022 07:18:34 -0500
Subject: [PATCH 0300/2654] Write particle types separately for track files

---
 include/openmc/particle_data.h |  7 ++++++-
 src/particle_data.cpp          |  1 -
 src/track_output.cpp           | 12 +++++++-----
 3 files changed, 13 insertions(+), 7 deletions(-)

diff --git a/include/openmc/particle_data.h b/include/openmc/particle_data.h
index 8c1f4deab..3e6c8515c 100644
--- a/include/openmc/particle_data.h
+++ b/include/openmc/particle_data.h
@@ -65,7 +65,12 @@ struct TrackState {
   double wgt {1.0};
   int cell_id;
   int material_id {-1};
+};
+
+//! Full history of a single particle's track states
+struct TrackStateHistory {
   ParticleType particle;
+  std::vector<TrackState> states;
 };
 
 //! Saved ("banked") state of a particle, for nu-fission tallying
@@ -302,7 +307,7 @@ private:
 
   vector<FilterMatch> filter_matches_; // tally filter matches
 
-  vector<vector<TrackState>> tracks_; // tracks for outputting to file
+  vector<TrackStateHistory> tracks_; // tracks for outputting to file
 
   vector<NuBank> nu_bank_; // bank of most recently fissioned particles
 
diff --git a/src/particle_data.cpp b/src/particle_data.cpp
index be34fbc9b..4206d9cd9 100644
--- a/src/particle_data.cpp
+++ b/src/particle_data.cpp
@@ -67,7 +67,6 @@ TrackState ParticleData::get_track_state() const
   if (this->material() != MATERIAL_VOID) {
     state.material_id = model::materials[material()]->id_;
   }
-  state.particle = this->type();
   return state;
 }
 
diff --git a/src/track_output.cpp b/src/track_output.cpp
index 3d04a73ba..5a7aff834 100644
--- a/src/track_output.cpp
+++ b/src/track_output.cpp
@@ -26,11 +26,12 @@ namespace openmc {
 void add_particle_track(Particle& p)
 {
   p.tracks().emplace_back();
+  p.tracks().back().particle = p.type();
 }
 
 void write_particle_track(Particle& p)
 {
-  p.tracks().back().push_back(p.get_track_state());
+  p.tracks().back().states.push_back(p.get_track_state());
 }
 
 hid_t trackstate_type()
@@ -51,8 +52,6 @@ hid_t trackstate_type()
   H5Tinsert(tracktype, "cell_id", HOFFSET(TrackState, cell_id), H5T_NATIVE_INT);
   H5Tinsert(
     tracktype, "material_id", HOFFSET(TrackState, material_id), H5T_NATIVE_INT);
-  H5Tinsert(
-    tracktype, "particle", HOFFSET(TrackState, particle), H5T_NATIVE_INT);
 
   H5Tclose(postype);
   return tracktype;
@@ -66,12 +65,14 @@ void finalize_particle_track(Particle& p)
 
   // Determine number of coordinates for each particle
   vector<int> offsets;
+  vector<int> particles;
   vector<TrackState> tracks;
   int offset = 0;
   for (auto& track_i : p.tracks()) {
     offsets.push_back(offset);
-    offset += track_i.size();
-    tracks.insert(tracks.end(), track_i.begin(), track_i.end());
+    particles.push_back(static_cast<int>(track_i.particle));
+    offset += track_i.states.size();
+    tracks.insert(tracks.end(), track_i.states.begin(), track_i.states.end());
   }
   offsets.push_back(offset);
 
@@ -82,6 +83,7 @@ void finalize_particle_track(Particle& p)
     write_attribute(file_id, "version", VERSION_TRACK);
     write_attribute(file_id, "n_particles", p.tracks().size());
     write_attribute(file_id, "offsets", offsets);
+    write_attribute(file_id, "particles", particles);
 
     // Create HDF5 datatype for TrackState
     hid_t track_type = trackstate_type();

From 2e9560a72c8a606cc1199aca4232780358169629 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 13 May 2022 12:04:20 -0500
Subject: [PATCH 0301/2654] Add TrackFile Python class for parsing track files

---
 docs/source/pythonapi/base.rst |  1 +
 openmc/__init__.py             |  1 +
 openmc/source.py               |  4 ++
 openmc/trackfile.py            | 72 ++++++++++++++++++++++++++++++++++
 4 files changed, 78 insertions(+)
 create mode 100644 openmc/trackfile.py

diff --git a/docs/source/pythonapi/base.rst b/docs/source/pythonapi/base.rst
index b471d12a8..fdd89b844 100644
--- a/docs/source/pythonapi/base.rst
+++ b/docs/source/pythonapi/base.rst
@@ -187,6 +187,7 @@ Post-processing
    openmc.Particle
    openmc.StatePoint
    openmc.Summary
+   openmc.TrackFile
 
 The following classes and functions are used for functional expansion reconstruction.
 
diff --git a/openmc/__init__.py b/openmc/__init__.py
index 0a11fbf53..91af25a5f 100644
--- a/openmc/__init__.py
+++ b/openmc/__init__.py
@@ -30,6 +30,7 @@ from openmc.mixin import *
 from openmc.plotter import *
 from openmc.search import *
 from openmc.polynomial import *
+from openmc.trackfile import *
 from . import examples
 
 # Import a few names from the model module
diff --git a/openmc/source.py b/openmc/source.py
index 1abe01f65..572333e37 100644
--- a/openmc/source.py
+++ b/openmc/source.py
@@ -298,6 +298,10 @@ class SourceParticle:
         self.surf_id = surf_id
         self.particle = particle
 
+    def __repr__(self):
+        name = self.particle.name.lower()
+        return f'<SourceParticle: {name} at E={self.E:.3e} eV>'
+
     def to_tuple(self):
         """Return source particle attributes as a tuple
 
diff --git a/openmc/trackfile.py b/openmc/trackfile.py
new file mode 100644
index 000000000..ab2b81a54
--- /dev/null
+++ b/openmc/trackfile.py
@@ -0,0 +1,72 @@
+from collections import namedtuple
+
+import h5py
+
+from .source import SourceParticle, ParticleType
+
+
+TrackHistory = namedtuple('TrackHistory', ['particle', 'states'])
+
+
+class TrackFile:
+    """Particle track output
+
+    Parameters
+    ----------
+    filepath : str or pathlib.Path
+        Path of file to load
+
+    Attributes
+    ----------
+    sources : list
+        List of :class:`SourceParticle` representing each primary/secondary
+        particle
+    tracks : list
+        List of tuples containing (particle type, array of track states)
+
+    """
+
+    def __init__(self, filepath):
+        # Read data from track file
+        with h5py.File(filepath, 'r') as fh:
+            offsets = fh.attrs['offsets']
+            tracks = fh['tracks'][()]
+            particles = fh.attrs['particles']
+
+        # Construct list of track histories
+        tracks_list = []
+        for particle, start, end in zip(particles, offsets[:-1], offsets[1:]):
+            ptype = ParticleType(particle)
+            tracks_list.append(TrackHistory(ptype, tracks[start:end]))
+        self.tracks = tracks_list
+
+    def __repr__(self):
+        return f'<TrackFile: {len(self.tracks)} particles>'
+
+    def plot(self):
+        """Produce a 3D plot of particle tracks"""
+        import matplotlib.pyplot as plt
+        fig = plt.figure()
+        ax = plt.axes(projection='3d')
+        for _, states in self.tracks:
+            r = states['r']
+            ax.plot3D(r['x'], r['y'], r['z'])
+        ax.set_xlabel('x [cm]')
+        ax.set_ylabel('y [cm]')
+        ax.set_zlabel('z [cm]')
+        plt.show()
+
+    @property
+    def sources(self):
+        sources = []
+        for track_history in self.tracks:
+            particle_type = ParticleType(track_history.particle)
+            state = track_history.states[0]
+            sources.append(
+                SourceParticle(
+                    r=state['r'], u=state['u'], E=state['E'],
+                    time=state['time'], wgt=state['wgt'],
+                    particle=particle_type
+                )
+            )
+        return sources

From 365aa0b0eb187210666c1f946d4cbbd89b3f0289 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 17 May 2022 07:33:55 -0400
Subject: [PATCH 0302/2654] Write all tracks to a single file

---
 docs/source/pythonapi/base.rst |  1 +
 include/openmc/track_output.h  | 17 +++++++++
 openmc/trackfile.py            | 65 ++++++++++++++++++++++++---------
 scripts/openmc-track-to-vtk    | 33 ++++++++---------
 src/simulation.cpp             | 10 ++++++
 src/track_output.cpp           | 66 +++++++++++++++++++---------------
 6 files changed, 130 insertions(+), 62 deletions(-)

diff --git a/docs/source/pythonapi/base.rst b/docs/source/pythonapi/base.rst
index fdd89b844..a54d2ff35 100644
--- a/docs/source/pythonapi/base.rst
+++ b/docs/source/pythonapi/base.rst
@@ -187,6 +187,7 @@ Post-processing
    openmc.Particle
    openmc.StatePoint
    openmc.Summary
+   openmc.Track
    openmc.TrackFile
 
 The following classes and functions are used for functional expansion reconstruction.
diff --git a/include/openmc/track_output.h b/include/openmc/track_output.h
index fc65a2eaa..c4641af2b 100644
--- a/include/openmc/track_output.h
+++ b/include/openmc/track_output.h
@@ -9,8 +9,25 @@ namespace openmc {
 // Non-member functions
 //==============================================================================
 
+//! Open HDF5 track file for writing and create track datatype
+void open_track_file();
+
+//! Close HDF5 resources for track file
+void close_track_file();
+
+//! Create a new track state history for a primary/secondary particle
+//
+//! \param[in] p  Current particle
 void add_particle_track(Particle& p);
+
+//! Store particle's current state
+//
+//! \param[in] p  Current particle
 void write_particle_track(Particle& p);
+
+//! Write full particle state history to HDF5 track file
+//
+//! \param[in] p  Current particle
 void finalize_particle_track(Particle& p);
 
 } // namespace openmc
diff --git a/openmc/trackfile.py b/openmc/trackfile.py
index ab2b81a54..4eaa72f4d 100644
--- a/openmc/trackfile.py
+++ b/openmc/trackfile.py
@@ -5,50 +5,57 @@ import h5py
 from .source import SourceParticle, ParticleType
 
 
-TrackHistory = namedtuple('TrackHistory', ['particle', 'states'])
+ParticleTrack = namedtuple('ParticleTrack', ['particle', 'states'])
 
 
-class TrackFile:
-    """Particle track output
+def _identifier(dset_name):
+    """Return (batch, gen, particle) tuple given dataset name"""
+    _, batch, gen, particle = dset_name.split('_')
+    return (int(batch), int(gen), int(particle))
+
+
+class Track:
+    """Tracks resulting from a single source particle
 
     Parameters
     ----------
-    filepath : str or pathlib.Path
-        Path of file to load
+    dset : h5py.Dataset
+        Dataset to read track data from
 
     Attributes
     ----------
+    identifier : tuple
+        Tuple of (batch, generation, particle number)
+    particles : list
+        List of tuples containing (particle type, array of track states)
     sources : list
         List of :class:`SourceParticle` representing each primary/secondary
         particle
-    tracks : list
-        List of tuples containing (particle type, array of track states)
 
     """
 
-    def __init__(self, filepath):
-        # Read data from track file
-        with h5py.File(filepath, 'r') as fh:
-            offsets = fh.attrs['offsets']
-            tracks = fh['tracks'][()]
-            particles = fh.attrs['particles']
+    def __init__(self, dset):
+        tracks = dset[()]
+        offsets = dset.attrs['offsets']
+        particles = dset.attrs['particles']
+        self.identifier = _identifier(dset.name)
 
         # Construct list of track histories
         tracks_list = []
         for particle, start, end in zip(particles, offsets[:-1], offsets[1:]):
             ptype = ParticleType(particle)
-            tracks_list.append(TrackHistory(ptype, tracks[start:end]))
-        self.tracks = tracks_list
+            tracks_list.append(ParticleTrack(ptype, tracks[start:end]))
+        self.particles = tracks_list
 
     def __repr__(self):
-        return f'<TrackFile: {len(self.tracks)} particles>'
+        return f'<Track {self.identifier}: {len(self.particles)} particles>'
 
     def plot(self):
         """Produce a 3D plot of particle tracks"""
         import matplotlib.pyplot as plt
         fig = plt.figure()
         ax = plt.axes(projection='3d')
-        for _, states in self.tracks:
+        for _, states in self.particles:
             r = states['r']
             ax.plot3D(r['x'], r['y'], r['z'])
         ax.set_xlabel('x [cm]')
@@ -70,3 +77,27 @@ class TrackFile:
                 )
             )
         return sources
+
+
+class TrackFile(list):
+    """Collection of particle tracks
+
+    Parameters
+    ----------
+    filepath : str or pathlib.Path
+        Path of file to load
+
+    Attributes
+    ----------
+    tracks : list
+        List of :class:`Track` objects
+
+    """
+
+    def __init__(self, filepath):
+        # Read data from track file
+        with h5py.File(filepath, 'r') as fh:
+
+            for dset_name in sorted(fh, key=_identifier):
+                dset = fh[dset_name]
+                self.append(Track(dset))
diff --git a/scripts/openmc-track-to-vtk b/scripts/openmc-track-to-vtk
index d1b2f828a..7959ad35d 100755
--- a/scripts/openmc-track-to-vtk
+++ b/scripts/openmc-track-to-vtk
@@ -6,14 +6,14 @@
 
 import argparse
 
-import h5py
+import openmc
 import vtk
 
 
 def _parse_args():
     # Create argument parser.
     parser = argparse.ArgumentParser(
-        description='Convert particle track file to a .pvtp file.')
+        description='Convert particle track file(s) to a .pvtp file.')
     parser.add_argument('input', metavar='IN', type=str, nargs='+',
                         help='Input particle track data filename(s).')
     parser.add_argument('-o', '--out', metavar='OUT', type=str, dest='out',
@@ -36,24 +36,25 @@ def main():
     # Initialize data arrays and offset.
     points = vtk.vtkPoints()
     cells = vtk.vtkCellArray()
+    point_offset = 0
     for fname in args.input:
         # Write coordinate values to points array.
-        track = h5py.File(fname)
-        offsets = track.attrs['offsets']
-        for start, end in zip(offsets[:-1], offsets[1:]):
-            tracks = track['tracks'][start:end]
-            for arr in tracks:
-                points.InsertNextPoint(arr['r'])
+        track_file = openmc.TrackFile(fname)
+        for track in track_file:
+            for particle in track.particles:
+                for state in particle.states:
+                    points.InsertNextPoint(state['r'])
 
-        for start, end in zip(offsets[:-1], offsets[1:]):
-            # Create VTK line and assign points to line.
-            line = vtk.vtkPolyLine()
-            line.GetPointIds().SetNumberOfIds(end - start)
-            for j in range(end - start):
-                line.GetPointIds().SetId(j, start + j)
+                # Create VTK line and assign points to line.
+                n = particle.states.size
+                line = vtk.vtkPolyLine()
+                line.GetPointIds().SetNumberOfIds(n)
+                for i in range(n):
+                    line.GetPointIds().SetId(i, point_offset + i)
+                point_offset += n
 
-            # Add line to cell array
-            cells.InsertNextCell(line)
+                # Add line to cell array
+                cells.InsertNextCell(line)
 
     data = vtk.vtkPolyData()
     data.SetPoints(points)
diff --git a/src/simulation.cpp b/src/simulation.cpp
index b7f5b58f1..728de8a85 100644
--- a/src/simulation.cpp
+++ b/src/simulation.cpp
@@ -82,6 +82,11 @@ int openmc_simulation_init()
   // Allocate source, fission and surface source banks.
   allocate_banks();
 
+  // Create track file if needed
+  if (!settings::track_identifiers.empty() || settings::write_all_tracks) {
+    open_track_file();
+  }
+
   // If doing an event-based simulation, intialize the particle buffer
   // and event queues
   if (settings::event_based) {
@@ -152,6 +157,11 @@ int openmc_simulation_finalize()
     mat->mat_nuclide_index_.clear();
   }
 
+  // Close track file if open
+  if (!settings::track_identifiers.empty() || settings::write_all_tracks) {
+    close_track_file();
+  }
+
   // Increment total number of generations
   simulation::total_gen += simulation::current_batch * settings::gen_per_batch;
 
diff --git a/src/track_output.cpp b/src/track_output.cpp
index 5a7aff834..c75468b1f 100644
--- a/src/track_output.cpp
+++ b/src/track_output.cpp
@@ -9,6 +9,7 @@
 
 #include "xtensor/xtensor.hpp"
 #include <fmt/core.h>
+#include <hdf5.h>
 
 #include <cstddef> // for size_t
 #include <string>
@@ -19,6 +20,9 @@ namespace openmc {
 // Global variables
 //==============================================================================
 
+hid_t track_file;  //! HDF5 identifier for track file
+hid_t track_dtype; //! HDF5 identifier for track datatype
+
 //==============================================================================
 // Non-member functions
 //==============================================================================
@@ -34,8 +38,14 @@ void write_particle_track(Particle& p)
   p.tracks().back().states.push_back(p.get_track_state());
 }
 
-hid_t trackstate_type()
+void open_track_file()
 {
+  // Open file and write filetype/version
+  std::string filename = fmt::format("{}tracks.h5", settings::path_output);
+  track_file = file_open(filename, 'w');
+  write_attribute(track_file, "filetype", "track");
+  write_attribute(track_file, "version", VERSION_TRACK);
+
   // Create compound type for Position
   hid_t postype = H5Tcreate(H5T_COMPOUND, sizeof(struct Position));
   H5Tinsert(postype, "x", HOFFSET(Position, x), H5T_NATIVE_DOUBLE);
@@ -43,26 +53,27 @@ hid_t trackstate_type()
   H5Tinsert(postype, "z", HOFFSET(Position, z), H5T_NATIVE_DOUBLE);
 
   // Create compound type for TrackState
-  hid_t tracktype = H5Tcreate(H5T_COMPOUND, sizeof(struct TrackState));
-  H5Tinsert(tracktype, "r", HOFFSET(TrackState, r), postype);
-  H5Tinsert(tracktype, "u", HOFFSET(TrackState, u), postype);
-  H5Tinsert(tracktype, "E", HOFFSET(TrackState, E), H5T_NATIVE_DOUBLE);
-  H5Tinsert(tracktype, "time", HOFFSET(TrackState, time), H5T_NATIVE_DOUBLE);
-  H5Tinsert(tracktype, "wgt", HOFFSET(TrackState, wgt), H5T_NATIVE_DOUBLE);
-  H5Tinsert(tracktype, "cell_id", HOFFSET(TrackState, cell_id), H5T_NATIVE_INT);
+  track_dtype = H5Tcreate(H5T_COMPOUND, sizeof(struct TrackState));
+  H5Tinsert(track_dtype, "r", HOFFSET(TrackState, r), postype);
+  H5Tinsert(track_dtype, "u", HOFFSET(TrackState, u), postype);
+  H5Tinsert(track_dtype, "E", HOFFSET(TrackState, E), H5T_NATIVE_DOUBLE);
+  H5Tinsert(track_dtype, "time", HOFFSET(TrackState, time), H5T_NATIVE_DOUBLE);
+  H5Tinsert(track_dtype, "wgt", HOFFSET(TrackState, wgt), H5T_NATIVE_DOUBLE);
   H5Tinsert(
-    tracktype, "material_id", HOFFSET(TrackState, material_id), H5T_NATIVE_INT);
-
+    track_dtype, "cell_id", HOFFSET(TrackState, cell_id), H5T_NATIVE_INT);
+  H5Tinsert(track_dtype, "material_id", HOFFSET(TrackState, material_id),
+    H5T_NATIVE_INT);
   H5Tclose(postype);
-  return tracktype;
+}
+
+void close_track_file()
+{
+  H5Tclose(track_dtype);
+  file_close(track_file);
 }
 
 void finalize_particle_track(Particle& p)
 {
-  std::string filename =
-    fmt::format("{}track_{}_{}_{}.h5", settings::path_output,
-      simulation::current_batch, simulation::current_gen, p.id());
-
   // Determine number of coordinates for each particle
   vector<int> offsets;
   vector<int> particles;
@@ -78,28 +89,25 @@ void finalize_particle_track(Particle& p)
 
 #pragma omp critical(FinalizeParticleTrack)
   {
-    hid_t file_id = file_open(filename, 'w');
-    write_attribute(file_id, "filetype", "track");
-    write_attribute(file_id, "version", VERSION_TRACK);
-    write_attribute(file_id, "n_particles", p.tracks().size());
-    write_attribute(file_id, "offsets", offsets);
-    write_attribute(file_id, "particles", particles);
-
-    // Create HDF5 datatype for TrackState
-    hid_t track_type = trackstate_type();
+    // Create name for dataset
+    std::string dset_name = fmt::format("track_{}_{}_{}",
+      simulation::current_batch, simulation::current_gen, p.id());
 
     // Write array of TrackState to file
     hsize_t dims[] {static_cast<hsize_t>(tracks.size())};
     hid_t dspace = H5Screate_simple(1, dims, nullptr);
-    hid_t dset = H5Dcreate(file_id, "tracks", track_type, dspace, H5P_DEFAULT,
-      H5P_DEFAULT, H5P_DEFAULT);
-    H5Dwrite(dset, track_type, H5S_ALL, H5S_ALL, H5P_DEFAULT, tracks.data());
+    hid_t dset = H5Dcreate(track_file, dset_name.c_str(), track_dtype, dspace,
+      H5P_DEFAULT, H5P_DEFAULT, H5P_DEFAULT);
+    H5Dwrite(dset, track_dtype, H5S_ALL, H5S_ALL, H5P_DEFAULT, tracks.data());
+
+    // Write attributes
+    write_attribute(dset, "n_particles", p.tracks().size());
+    write_attribute(dset, "offsets", offsets);
+    write_attribute(dset, "particles", particles);
 
     // Free resources
     H5Dclose(dset);
     H5Sclose(dspace);
-    H5Tclose(track_type);
-    file_close(file_id);
   }
 
   // Clear particle tracks

From b7415162793f5d502ea57562cd8830a00b2f3b6c Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 17 May 2022 07:50:36 -0400
Subject: [PATCH 0303/2654] Add plot method for TrackFile

---
 openmc/trackfile.py | 39 +++++++++++++++++++++++++++++++--------
 1 file changed, 31 insertions(+), 8 deletions(-)

diff --git a/openmc/trackfile.py b/openmc/trackfile.py
index 4eaa72f4d..38b777cf6 100644
--- a/openmc/trackfile.py
+++ b/openmc/trackfile.py
@@ -50,18 +50,33 @@ class Track:
     def __repr__(self):
         return f'<Track {self.identifier}: {len(self.particles)} particles>'
 
-    def plot(self):
-        """Produce a 3D plot of particle tracks"""
+    def plot(self, axes=None):
+        """Produce a 3D plot of particle tracks
+
+        Parameters
+        ----------
+        axes : matplotlib.pyplot.Axes, optional
+            Axes for plot
+        """
         import matplotlib.pyplot as plt
-        fig = plt.figure()
-        ax = plt.axes(projection='3d')
+
+        # Setup axes is one wasn't passed
+        if axes is None:
+            fig = plt.figure()
+            ax = plt.axes(projection='3d')
+            ax.set_xlabel('x [cm]')
+            ax.set_ylabel('y [cm]')
+            ax.set_zlabel('z [cm]')
+        else:
+            ax = axes
+
+        # Plot each particle track
         for _, states in self.particles:
             r = states['r']
             ax.plot3D(r['x'], r['y'], r['z'])
-        ax.set_xlabel('x [cm]')
-        ax.set_ylabel('y [cm]')
-        ax.set_zlabel('z [cm]')
-        plt.show()
+
+        if axes is None:
+            plt.show()
 
     @property
     def sources(self):
@@ -101,3 +116,11 @@ class TrackFile(list):
             for dset_name in sorted(fh, key=_identifier):
                 dset = fh[dset_name]
                 self.append(Track(dset))
+
+    def plot(self):
+        import matplotlib.pyplot as plt
+        fig = plt.figure()
+        ax = plt.axes(projection='3d')
+        for track in self:
+            track.plot(ax)
+        plt.show()

From b786ad4c9ffe1fd9e5a5f7e967477261ebd318a0 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 18 May 2022 09:33:57 -0400
Subject: [PATCH 0304/2654] Write separate track files for multiple MPI ranks

---
 docs/source/usersguide/scripts.rst | 11 +++++++++
 scripts/openmc-track-combine       | 37 ++++++++++++++++++++++++++++++
 src/track_output.cpp               | 13 ++++++++++-
 3 files changed, 60 insertions(+), 1 deletion(-)
 create mode 100755 scripts/openmc-track-combine

diff --git a/docs/source/usersguide/scripts.rst b/docs/source/usersguide/scripts.rst
index 963e91cf2..f38e1fd16 100644
--- a/docs/source/usersguide/scripts.rst
+++ b/docs/source/usersguide/scripts.rst
@@ -114,6 +114,17 @@ tallies. The path to the statepoint file can be provided as an optional arugment
 
 .. _scripts_track:
 
+------------------------
+``openmc-track-combine``
+------------------------
+
+This script combines multiple HDF5 :ref:`particle track files
+<usersguide_track>` into a single HDF5 particle track file. The filenames of the
+particle track files should be given as posititional arguments. The output
+filename can also be changed with the ``-o`` flag:
+
+-o OUT, --out OUT    Output HDF5 particle track file
+
 -----------------------
 ``openmc-track-to-vtk``
 -----------------------
diff --git a/scripts/openmc-track-combine b/scripts/openmc-track-combine
new file mode 100755
index 000000000..4bd2fb082
--- /dev/null
+++ b/scripts/openmc-track-combine
@@ -0,0 +1,37 @@
+#!/usr/bin/env python3
+
+"""Combine multiple HDF5 particle track files.
+
+"""
+
+import argparse
+
+import h5py
+
+
+def main():
+    # Parse command-line arguments
+    parser = argparse.ArgumentParser(
+        description='Combine particle track files into a single .h5 file.')
+    parser.add_argument('input', metavar='IN', nargs='+',
+                        help='Input HDF5 particle track filename(s).')
+    parser.add_argument('-o', '--out', metavar='OUT', default='tracks.h5',
+                        help='Output HDF5 particle track file.')
+
+    args = parser.parse_args()
+
+    with h5py.File(args.out, 'w') as h5_out:
+        for i, fname in enumerate(args.input):
+            with h5py.File(fname, 'r') as h5_in:
+                # Copy file attributes for first file
+                if i == 0:
+                    h5_out.attrs['filetype'] = h5_in.attrs['filetype']
+                    h5_out.attrs['version'] = h5_in.attrs['version']
+
+                # Copy each 'track_*' dataset from input file
+                for dset in h5_in:
+                    h5_in.copy(dset, h5_out)
+
+
+if __name__ == '__main__':
+    main()
diff --git a/src/track_output.cpp b/src/track_output.cpp
index c75468b1f..a5d4e6c2f 100644
--- a/src/track_output.cpp
+++ b/src/track_output.cpp
@@ -2,6 +2,7 @@
 
 #include "openmc/constants.h"
 #include "openmc/hdf5_interface.h"
+#include "openmc/message_passing.h"
 #include "openmc/position.h"
 #include "openmc/settings.h"
 #include "openmc/simulation.h"
@@ -40,8 +41,18 @@ void write_particle_track(Particle& p)
 
 void open_track_file()
 {
-  // Open file and write filetype/version
+  // Open file and write filetype/version -- when MPI is enabled and there is
+  // more than one rank, each rank writes its own file
+#ifdef OPENMC_MPI
+  std::string filename;
+  if (mpi::n_procs > 1) {
+    filename = fmt::format("{}tracks_p{}.h5", settings::path_output, mpi::rank);
+  } else {
+    filename = fmt::format("{}tracks.h5", settings::path_output);
+  }
+#else
   std::string filename = fmt::format("{}tracks.h5", settings::path_output);
+#endif
   track_file = file_open(filename, 'w');
   write_attribute(track_file, "filetype", "track");
   write_attribute(track_file, "version", VERSION_TRACK);

From 93e7471132f70b18e18ffd3f2bac9c1aadadd081 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 19 May 2022 12:54:44 -0400
Subject: [PATCH 0305/2654] Update io_formats documentation for track files
 (and file version)

---
 docs/source/io_formats/track.rst | 23 ++++++++++++++++-------
 include/openmc/constants.h       |  2 +-
 openmc/trackfile.py              |  6 ++++++
 3 files changed, 23 insertions(+), 8 deletions(-)

diff --git a/docs/source/io_formats/track.rst b/docs/source/io_formats/track.rst
index c617cd73e..113f0cf14 100644
--- a/docs/source/io_formats/track.rst
+++ b/docs/source/io_formats/track.rst
@@ -4,18 +4,27 @@
 Track File Format
 =================
 
-The current revision of the particle track file format is 2.0.
+The current revision of the particle track file format is 3.0.
 
 **/**
 
 :Attributes: - **filetype** (*char[]*) -- String indicating the type of file.
              - **version** (*int[2]*) -- Major and minor version of the track
                file format.
-             - **n_particles** (*int*) -- Number of particles for which tracks
-               are recorded.
-             - **n_coords** (*int[]*) -- Number of coordinates for each
-               particle.
 
 :Datasets:
-           - **coordinates_<i>** (*double[][3]*) -- (x,y,z) coordinates for the
-             *i*-th particle.
+           - **track_<b>_<g>_<p>** (Compound type) -- Particle track information
+             for source particle in batch *b*, generation *g*, and particle
+             number *p*. particle. The compound type has fields ``r``, ``u``,
+             ``E``, ``time``, ``wgt``, ``cell_id``, and ``material_id``, which
+             represent the position (each coordinate in [cm]), direction, energy
+             in [eV], time in [s], weight, cell ID, and material ID,
+             respectively.
+
+             :Attributes: - **n_particles** (*int*) -- Number of
+                            primary/secondary particles for the source history.
+                          - **offsets** (*int[]*) Offset into the array for each
+                            primary/secondary particle.
+                          - **particles** (*int[]*) -- Particle type for each
+                            primary/secondary particle (0=neutron, 1=photon,
+                            2=electron, 3=positron).
diff --git a/include/openmc/constants.h b/include/openmc/constants.h
index 8427c2d55..73f96ff95 100644
--- a/include/openmc/constants.h
+++ b/include/openmc/constants.h
@@ -26,7 +26,7 @@ constexpr int HDF5_VERSION[] {3, 0};
 // Version numbers for binary files
 constexpr array<int, 2> VERSION_STATEPOINT {17, 0};
 constexpr array<int, 2> VERSION_PARTICLE_RESTART {2, 0};
-constexpr array<int, 2> VERSION_TRACK {2, 0};
+constexpr array<int, 2> VERSION_TRACK {3, 0};
 constexpr array<int, 2> VERSION_SUMMARY {6, 0};
 constexpr array<int, 2> VERSION_VOLUME {1, 0};
 constexpr array<int, 2> VERSION_VOXEL {2, 0};
diff --git a/openmc/trackfile.py b/openmc/trackfile.py
index 38b777cf6..51527818c 100644
--- a/openmc/trackfile.py
+++ b/openmc/trackfile.py
@@ -2,11 +2,14 @@ from collections import namedtuple
 
 import h5py
 
+from .checkvalue import check_filetype_version
 from .source import SourceParticle, ParticleType
 
 
 ParticleTrack = namedtuple('ParticleTrack', ['particle', 'states'])
 
+_VERSION_TRACK = 3
+
 
 def _identifier(dset_name):
     """Return (batch, gen, particle) tuple given dataset name"""
@@ -112,12 +115,15 @@ class TrackFile(list):
     def __init__(self, filepath):
         # Read data from track file
         with h5py.File(filepath, 'r') as fh:
+            # Check filetype and version
+            check_filetype_version(fh, 'track', _VERSION_TRACK)
 
             for dset_name in sorted(fh, key=_identifier):
                 dset = fh[dset_name]
                 self.append(Track(dset))
 
     def plot(self):
+        """Produce a 3D plot of particle tracks"""
         import matplotlib.pyplot as plt
         fig = plt.figure()
         ax = plt.axes(projection='3d')

From 8d9b34df861d107a5938b786a0256459ea1c67a0 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 19 May 2022 13:08:29 -0400
Subject: [PATCH 0306/2654] Fix track_output regression test to work with MPI

---
 tests/regression_tests/track_output/test.py | 16 ++++++++++------
 1 file changed, 10 insertions(+), 6 deletions(-)

diff --git a/tests/regression_tests/track_output/test.py b/tests/regression_tests/track_output/test.py
index 1501d3fd6..6fe2b52cc 100644
--- a/tests/regression_tests/track_output/test.py
+++ b/tests/regression_tests/track_output/test.py
@@ -1,10 +1,11 @@
 import glob
 import os
+from pathlib import Path
 from subprocess import call
 
 import pytest
 
-from tests.testing_harness import TestHarness
+from tests.testing_harness import TestHarness, config
 
 
 class TrackTestHarness(TestHarness):
@@ -12,17 +13,20 @@ class TrackTestHarness(TestHarness):
         """Make sure statepoint.* and track* have been created."""
         TestHarness._test_output_created(self)
 
-        outputs = glob.glob('track_1_1_*.h5')
-        assert len(outputs) == 2, 'Expected two track files.'
+        if config['mpi'] and int(config['mpi_np']) > 1:
+            outputs = Path.cwd().glob('tracks_p*.h5')
+            assert len(list(outputs)) == int(config['mpi_np'])
+        else:
+            assert Path('tracks.h5').is_file()
 
     def _get_results(self):
         """Digest info in the statepoint and return as a string."""
         # Run the track-to-vtk conversion script.
         call(['../../../scripts/openmc-track-to-vtk', '-o', 'poly'] +
-             glob.glob('track_1_1_*.h5'))
+             glob.glob('tracks*.h5'))
 
         # Make sure the vtk file was created then return it's contents.
-        assert os.path.isfile('poly.pvtp'), 'poly.pvtp file not found.'
+        assert Path('poly.pvtp').is_file(), 'poly.pvtp file not found.'
 
         with open('poly.pvtp', 'r') as fin:
             outstr = fin.read()
@@ -31,7 +35,7 @@ class TrackTestHarness(TestHarness):
 
     def _cleanup(self):
         TestHarness._cleanup(self)
-        output = glob.glob('track*') + glob.glob('poly*')
+        output = glob.glob('tracks*') + glob.glob('poly*')
         for f in output:
             if os.path.exists(f):
                 os.remove(f)

From e2de81045f54bed2db815e613c31b6aa41945f44 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 19 May 2022 13:27:02 -0400
Subject: [PATCH 0307/2654] Update track_output regression test

---
 .../track_output/results_true.dat             | 183 +++++++++++++++++-
 .../track_output/settings.xml                 |   3 +-
 tests/regression_tests/track_output/test.py   |  21 +-
 3 files changed, 189 insertions(+), 18 deletions(-)

diff --git a/tests/regression_tests/track_output/results_true.dat b/tests/regression_tests/track_output/results_true.dat
index 1d0ca8039..981625bf7 100644
--- a/tests/regression_tests/track_output/results_true.dat
+++ b/tests/regression_tests/track_output/results_true.dat
@@ -1,9 +1,174 @@
-<?xml version="1.0"?>
-<VTKFile type="PPolyData" version="0.1" byte_order="LittleEndian" header_type="UInt32" compressor="vtkZLibDataCompressor">
-  <PPolyData GhostLevel="0">
-    <PPoints>
-      <PDataArray type="Float32" Name="Points" NumberOfComponents="3"/>
-    </PPoints>
-    <Piece Source="poly_0.vtp"/>
-  </PPolyData>
-</VTKFile>
+[ParticleTrack(particle=<ParticleType.NEUTRON: 0>, states=array([((-9.663085e-01, -6.616522e-01, -9.863690e-01), (-7.513921e-01, 4.140970e-01, 5.137447e-01), 5.293873e+06, 0.000000e+00, 1.000000e+00, 23, 1),
+       ((-1.281491e+00, -4.879529e-01, -7.708709e-01), (-7.513921e-01, 4.140970e-01, 5.137447e-01), 5.293873e+06, 1.323629e-10, 1.000000e+00, 22, 3),
+       ((-1.368452e+00, -4.400285e-01, -7.114141e-01), (-7.513921e-01, 4.140970e-01, 5.137447e-01), 5.293873e+06, 1.688824e-10, 1.000000e+00, 21, 2),
+       ((-2.150539e+00, -9.015151e-03, -1.766823e-01), (-7.513921e-01, 4.140970e-01, 5.137447e-01), 5.293873e+06, 4.973246e-10, 1.000000e+00, 22, 3),
+       ((-2.237499e+00, 3.890922e-02, -1.172255e-01), (-7.513921e-01, 4.140970e-01, 5.137447e-01), 5.293873e+06, 5.338441e-10, 1.000000e+00, 23, 1),
+       ((-2.453640e+00, 1.580257e-01, 3.055504e-02), (-7.513921e-01, 4.140970e-01, 5.137447e-01), 5.293873e+06, 6.246136e-10, 1.000000e+00, 23, 1),
+       ((-2.767485e+00, 3.309877e-01, 2.451383e-01), (-7.513921e-01, 4.140970e-01, 5.137447e-01), 5.293873e+06, 7.564146e-10, 1.000000e+00, 22, 3),
+       ((-2.825099e+00, 3.627392e-01, 2.845305e-01), (-6.842434e-01, 3.658561e-01, 6.308409e-01), 5.292729e+06, 7.806100e-10, 1.000000e+00, 22, 3),
+       ((-3.274427e+00, 6.029890e-01, 6.987901e-01), (-6.842434e-01, 3.658561e-01, 6.308409e-01), 5.292729e+06, 9.878481e-10, 1.000000e+00, 23, 1),
+       ((-3.676327e+00, 8.178800e-01, 1.069324e+00), (-6.842434e-01, 3.658561e-01, 6.308409e-01), 5.292729e+06, 1.173212e-09, 1.000000e+00, 23, 1),
+       ((-4.089400e+00, 1.038745e+00, 1.450158e+00), (-6.842434e-01, 3.658561e-01, 6.308409e-01), 5.292729e+06, 1.363728e-09, 1.000000e+00, 23, 1),
+       ((-4.456639e+00, 1.235102e+00, 1.788735e+00), (-6.842434e-01, 3.658561e-01, 6.308409e-01), 5.292729e+06, 1.533105e-09, 1.000000e+00, 22, 3),
+       ((-4.536974e+00, 1.278056e+00, 1.862800e+00), (-6.842434e-01, 3.658561e-01, 6.308409e-01), 5.292729e+06, 1.570157e-09, 1.000000e+00, 21, 2),
+       ((-5.410401e+00, 1.745067e+00, 2.668060e+00), (-6.842434e-01, 3.658561e-01, 6.308409e-01), 5.292729e+06, 1.972998e-09, 1.000000e+00, 22, 3),
+       ((-5.490736e+00, 1.788021e+00, 2.742125e+00), (-6.842434e-01, 3.658561e-01, 6.308409e-01), 5.292729e+06, 2.010050e-09, 1.000000e+00, 23, 1),
+       ((-5.576301e+00, 1.833771e+00, 2.821012e+00), (-2.881377e-01, 1.217316e-01, -9.498200e-01), 4.458753e+06, 2.049514e-09, 1.000000e+00, 23, 1),
+       ((-5.725160e+00, 1.896661e+00, 2.330311e+00), (-2.881377e-01, 1.217316e-01, -9.498200e-01), 4.458753e+06, 2.227030e-09, 1.000000e+00, 23, 1),
+       ((-6.116514e+00, 2.061999e+00, 1.040248e+00), (-2.881377e-01, 1.217316e-01, -9.498200e-01), 4.458753e+06, 2.693724e-09, 1.000000e+00, 22, 3),
+       ((-6.534762e+00, 2.238699e+00, -3.384686e-01), (-2.881377e-01, 1.217316e-01, -9.498200e-01), 4.458753e+06, 3.192489e-09, 1.000000e+00, 23, 1),
+       ((-7.043525e+00, 2.453640e+00, -2.015560e+00), (-2.881377e-01, 1.217316e-01, -9.498200e-01), 4.458753e+06, 3.799195e-09, 1.000000e+00, 23, 1),
+       ((-7.360920e+00, 2.587732e+00, -3.061825e+00), (-2.881377e-01, 1.217316e-01, -9.498200e-01), 4.458753e+06, 4.177692e-09, 1.000000e+00, 11, 1),
+       ((-8.996680e+00, 3.278803e+00, -8.453960e+00), (-2.881377e-01, 1.217316e-01, -9.498200e-01), 4.458753e+06, 6.128354e-09, 1.000000e+00, 23, 1),
+       ((-9.220205e+00, 3.373238e+00, -9.190791e+00), (-2.881377e-01, 1.217316e-01, -9.498200e-01), 4.458753e+06, 6.394910e-09, 1.000000e+00, 22, 3),
+       ((-9.320244e+00, 3.415502e+00, -9.520561e+00), (-2.881377e-01, 1.217316e-01, -9.498200e-01), 4.458753e+06, 6.514208e-09, 1.000000e+00, 21, 2),
+       ((-1.005591e+01, 3.726304e+00, -1.194562e+01), (-2.881377e-01, 1.217316e-01, -9.498200e-01), 4.458753e+06, 7.391498e-09, 1.000000e+00, 22, 3),
+       ((-1.015595e+01, 3.768569e+00, -1.227539e+01), (-2.881377e-01, 1.217316e-01, -9.498200e-01), 4.458753e+06, 7.510796e-09, 1.000000e+00, 23, 1),
+       ((-1.062054e+01, 3.964848e+00, -1.380687e+01), (-5.395885e-01, 2.109921e-01, -8.150623e-01), 4.068754e+06, 8.064826e-09, 1.000000e+00, 23, 1),
+       ((-1.063244e+01, 3.969501e+00, -1.382484e+01), (-5.395885e-01, 2.109921e-01, -8.150623e-01), 4.068754e+06, 8.072756e-09, 1.000000e+00, 23, 1),
+       ((-1.093907e+01, 4.089400e+00, -1.428802e+01), (-5.395885e-01, 2.109921e-01, -8.150623e-01), 4.068754e+06, 8.277097e-09, 1.000000e+00, 23, 1),
+       ((-1.108410e+01, 4.146112e+00, -1.450710e+01), (4.855193e-01, 3.316053e-01, -8.088937e-01), 8.856868e+05, 8.373750e-09, 1.000000e+00, 23, 1),
+       ((-1.080173e+01, 4.338973e+00, -1.497755e+01), (2.818553e-01, 5.419536e-02, -9.579251e-01), 7.653670e+05, 8.820862e-09, 1.000000e+00, 23, 1),
+       ((-1.063244e+01, 4.371524e+00, -1.555290e+01), (2.818553e-01, 5.419536e-02, -9.579251e-01), 7.653670e+05, 9.317522e-09, 1.000000e+00, 23, 1),
+       ((-1.041266e+01, 4.413783e+00, -1.629984e+01), (2.686183e-01, -3.269476e-01, -9.060626e-01), 6.562001e+05, 9.962308e-09, 1.000000e+00, 23, 1),
+       ((-1.016754e+01, 4.115428e+00, -1.712667e+01), (-6.340850e-01, -7.142137e-01, -2.963697e-01), 7.155058e+04, 1.077718e-08, 1.000000e+00, 23, 1),
+       ((-1.019064e+01, 4.089400e+00, -1.713747e+01), (-6.340850e-01, -7.142137e-01, -2.963697e-01), 7.155058e+04, 1.087569e-08, 1.000000e+00, 23, 1),
+       ((-1.024915e+01, 4.023496e+00, -1.716481e+01), (1.827568e-01, -7.452255e-01, -6.412791e-01), 2.628504e+04, 1.112511e-08, 1.000000e+00, 23, 1),
+       ((-1.018199e+01, 3.749638e+00, -1.740047e+01), (1.827568e-01, -7.452255e-01, -6.412791e-01), 2.628504e+04, 1.276389e-08, 1.000000e+00, 22, 3),
+       ((-1.015866e+01, 3.654498e+00, -1.748234e+01), (1.827568e-01, -7.452255e-01, -6.412791e-01), 2.628504e+04, 1.333321e-08, 1.000000e+00, 21, 2),
+       ((-1.009978e+01, 3.414404e+00, -1.768895e+01), (1.735861e-01, -9.678731e-01, 1.819053e-01), 2.620416e+04, 1.476994e-08, 1.000000e+00, 21, 2),
+       ((-9.994809e+00, 2.829099e+00, -1.757894e+01), (4.635724e-01, 5.558106e-01, 6.900545e-01), 2.214649e+04, 1.747088e-08, 1.000000e+00, 21, 2),
+       ((-9.553365e+00, 3.358379e+00, -1.692183e+01), (-5.990363e-01, 3.483710e-01, -7.209668e-01), 1.813617e+04, 2.209726e-08, 1.000000e+00, 21, 2),
+       ((-1.011854e+01, 3.687059e+00, -1.760205e+01), (-5.990363e-01, 3.483710e-01, -7.209668e-01), 1.813617e+04, 2.716243e-08, 1.000000e+00, 22, 3),
+       ((-1.020058e+01, 3.734765e+00, -1.770077e+01), (-5.990363e-01, 3.483710e-01, -7.209668e-01), 1.813617e+04, 2.789760e-08, 1.000000e+00, 23, 1),
+       ((-1.063244e+01, 3.985917e+00, -1.822054e+01), (-5.990363e-01, 3.483710e-01, -7.209668e-01), 1.813617e+04, 3.176800e-08, 1.000000e+00, 23, 1),
+       ((-1.081038e+01, 4.089400e+00, -1.843470e+01), (-5.990363e-01, 3.483710e-01, -7.209668e-01), 1.813617e+04, 3.336273e-08, 1.000000e+00, 23, 1),
+       ((-1.081564e+01, 4.092455e+00, -1.844103e+01), (-6.690877e-01, 6.718700e-01, -3.176671e-01), 1.355236e+04, 3.340982e-08, 1.000000e+00, 23, 1),
+       ((-1.096190e+01, 4.239327e+00, -1.851047e+01), (-5.904492e-01, 8.058629e-01, 4.421237e-02), 1.153343e+04, 3.476743e-08, 1.000000e+00, 23, 1),
+       ((-1.109457e+01, 4.420404e+00, -1.850054e+01), (-5.904492e-01, 8.058629e-01, 4.421237e-02), 1.153343e+04, 3.628014e-08, 1.000000e+00, 22, 3),
+       ((-1.113484e+01, 4.475368e+00, -1.849752e+01), (-3.382310e-01, -9.403895e-01, -3.560132e-02), 1.114105e+04, 3.673931e-08, 1.000000e+00, 22, 3),
+       ((-1.117187e+01, 4.372425e+00, -1.850142e+01), (-3.382310e-01, -9.403895e-01, -3.560132e-02), 1.114105e+04, 3.748914e-08, 1.000000e+00, 23, 1),
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+       ((-2.940196e+00, -1.610203e+00, 4.208760e+00), (-7.727102e-01, 4.333905e-01, -4.637797e-01), 6.395532e+03, 2.339483e-08, 1.000000e+00, 21, 2),
+       ((-3.600602e+00, -1.239800e+00, 3.812386e+00), (-7.727102e-01, 4.333905e-01, -4.637797e-01), 6.395532e+03, 3.112139e-08, 1.000000e+00, 22, 3),
+       ((-3.682067e+00, -1.194109e+00, 3.763490e+00), (-7.727102e-01, 4.333905e-01, -4.637797e-01), 6.395532e+03, 3.207450e-08, 1.000000e+00, 23, 1),
+       ((-4.089400e+00, -9.656478e-01, 3.519009e+00), (-7.727102e-01, 4.333905e-01, -4.637797e-01), 6.395532e+03, 3.684019e-08, 1.000000e+00, 23, 1),
+       ((-4.185927e+00, -9.115084e-01, 3.461074e+00), (4.334152e-01, -1.576729e-02, -9.010564e-01), 2.532713e+01, 3.796953e-08, 1.000000e+00, 23, 1),
+       ((-4.089400e+00, -9.150200e-01, 3.260397e+00), (4.334152e-01, -1.576729e-02, -9.010564e-01), 2.532713e+01, 6.996444e-08, 1.000000e+00, 23, 1),
+       ((-3.920090e+00, -9.211794e-01, 2.908406e+00), (9.094673e-01, -3.659267e-01, -1.974002e-01), 9.547085e+00, 1.260840e-07, 1.000000e+00, 23, 1),
+       ((-3.729948e+00, -9.976834e-01, 2.867135e+00), (-2.916959e-01, -6.494657e-01, -7.022164e-01), 8.590591e+00, 1.750036e-07, 1.000000e+00, 23, 1),
+       ((-3.744933e+00, -1.031047e+00, 2.831062e+00), (-2.916959e-01, -6.494657e-01, -7.022164e-01), 8.590591e+00, 1.876753e-07, 0.000000e+00, 23, 1)],
+      dtype=[('r', [('x', '<f8'), ('y', '<f8'), ('z', '<f8')]), ('u', [('x', '<f8'), ('y', '<f8'), ('z', '<f8')]), ('E', '<f8'), ('time', '<f8'), ('wgt', '<f8'), ('cell_id', '<i4'), ('material_id', '<i4')]))]
+[ParticleTrack(particle=<ParticleType.NEUTRON: 0>, states=array([((-9.896300e-01, -6.241550e-01, 7.890184e-01), (-4.012123e-01, 9.073327e-01, 1.256028e-01), 4.434429e+05, 0.000000e+00, 1.000000e+00, 23, 1),
+       ((-1.124354e+00, -3.194804e-01, 8.311948e-01), (-4.012123e-01, 9.073327e-01, 1.256028e-01), 4.434429e+05, 3.646971e-10, 1.000000e+00, 22, 3),
+       ((-1.169278e+00, -2.178843e-01, 8.452588e-01), (-4.012123e-01, 9.073327e-01, 1.256028e-01), 4.434429e+05, 4.863081e-10, 1.000000e+00, 21, 2),
+       ((-1.200617e+00, -1.470127e-01, 8.550696e-01), (4.985110e-01, -3.420076e-01, -7.965661e-01), 4.374324e+05, 5.711419e-10, 1.000000e+00, 21, 2),
+       ((-1.153218e+00, -1.795315e-01, 7.793306e-01), (4.985110e-01, -3.420076e-01, -7.965661e-01), 4.374324e+05, 6.751152e-10, 1.000000e+00, 22, 3),
+       ((-1.078639e+00, -2.306964e-01, 6.601629e-01), (4.985110e-01, -3.420076e-01, -7.965661e-01), 4.374324e+05, 8.387067e-10, 1.000000e+00, 23, 1),
+       ((-8.498389e-01, -3.876669e-01, 2.945646e-01), (1.295621e-01, -9.522956e-01, 2.763092e-01), 1.185198e+04, 1.340594e-09, 1.000000e+00, 23, 1),
+       ((-8.178800e-01, -6.225680e-01, 3.627213e-01), (1.295621e-01, -9.522956e-01, 2.763092e-01), 1.185198e+04, 2.978729e-09, 1.000000e+00, 11, 1),
+       ((-7.913073e-01, -8.178800e-01, 4.193912e-01), (1.295621e-01, -9.522956e-01, 2.763092e-01), 1.185198e+04, 4.340781e-09, 1.000000e+00, 23, 1),
+       ((-5.687582e-01, -2.453640e+00, 8.940079e-01), (1.295621e-01, -9.522956e-01, 2.763092e-01), 1.185198e+04, 1.574812e-08, 1.000000e+00, 23, 1),
+       ((-5.396956e-01, -2.667253e+00, 9.559878e-01), (8.346010e-01, -1.159281e-01, 5.385183e-01), 1.587581e+03, 1.723779e-08, 1.000000e+00, 23, 1),
+       ((-2.229408e-01, -2.711251e+00, 1.160371e+00), (8.346010e-01, -1.159281e-01, 5.385183e-01), 1.587581e+03, 2.412440e-08, 1.000000e+00, 22, 3),
+       ((3.672002e-01, -2.793223e+00, 1.541154e+00), (8.346010e-01, -1.159281e-01, 5.385183e-01), 1.587581e+03, 3.695471e-08, 1.000000e+00, 23, 1),
+       ((8.178800e-01, -2.855823e+00, 1.831950e+00), (8.346010e-01, -1.159281e-01, 5.385183e-01), 1.587581e+03, 4.675299e-08, 1.000000e+00, 23, 1),
+       ((8.973133e-01, -2.866857e+00, 1.883204e+00), (8.867277e-01, -4.590349e-01, 5.478139e-02), 1.077251e+03, 4.847996e-08, 1.000000e+00, 23, 1),
+       ((1.109695e+00, -2.976801e+00, 1.896325e+00), (8.867277e-01, -4.590349e-01, 5.478139e-02), 1.077251e+03, 5.375585e-08, 1.000000e+00, 22, 3),
+       ((1.188016e+00, -3.017346e+00, 1.901163e+00), (8.867277e-01, -4.590349e-01, 5.478139e-02), 1.077251e+03, 5.570149e-08, 1.000000e+00, 21, 2),
+       ((2.101785e+00, -3.490379e+00, 1.957615e+00), (8.867277e-01, -4.590349e-01, 5.478139e-02), 1.077251e+03, 7.840096e-08, 1.000000e+00, 22, 3),
+       ((2.180107e+00, -3.530924e+00, 1.962454e+00), (8.867277e-01, -4.590349e-01, 5.478139e-02), 1.077251e+03, 8.034660e-08, 1.000000e+00, 23, 1),
+       ((2.331655e+00, -3.609377e+00, 1.971817e+00), (5.352328e-01, -1.825854e-01, 8.247353e-01), 3.972292e+02, 8.411129e-08, 1.000000e+00, 23, 1),
+       ((2.453640e+00, -3.650990e+00, 2.159783e+00), (5.352328e-01, -1.825854e-01, 8.247353e-01), 3.972292e+02, 9.237876e-08, 1.000000e+00, 11, 1),
+       ((3.052522e+00, -3.855288e+00, 3.082595e+00), (-6.240259e-01, 3.743550e-01, 6.858936e-01), 7.908847e+00, 1.329675e-07, 1.000000e+00, 11, 1),
+       ((2.955791e+00, -3.797259e+00, 3.188916e+00), (-8.018916e-01, -4.124485e-01, 4.322686e-01), 3.121121e+00, 1.728180e-07, 1.000000e+00, 11, 1),
+       ((2.937908e+00, -3.806457e+00, 3.198556e+00), (-4.476221e-02, -9.803939e-01, -1.918959e-01), 1.564715e+00, 1.819446e-07, 1.000000e+00, 11, 1),
+       ((2.924989e+00, -4.089400e+00, 3.143175e+00), (-4.476221e-02, -9.803939e-01, -1.918959e-01), 1.564715e+00, 3.487493e-07, 1.000000e+00, 23, 1),
+       ((2.922113e+00, -4.152398e+00, 3.130844e+00), (-4.476221e-02, -9.803939e-01, -1.918959e-01), 1.564715e+00, 3.858887e-07, 0.000000e+00, 23, 1)],
+      dtype=[('r', [('x', '<f8'), ('y', '<f8'), ('z', '<f8')]), ('u', [('x', '<f8'), ('y', '<f8'), ('z', '<f8')]), ('E', '<f8'), ('time', '<f8'), ('wgt', '<f8'), ('cell_id', '<i4'), ('material_id', '<i4')]))]
diff --git a/tests/regression_tests/track_output/settings.xml b/tests/regression_tests/track_output/settings.xml
index 299ee72c5..8c5829483 100644
--- a/tests/regression_tests/track_output/settings.xml
+++ b/tests/regression_tests/track_output/settings.xml
@@ -16,7 +16,8 @@
 
   <track>
     1 1 1
-    1 1 2
+    1 1 30
+    1 1 60
   </track>
 
 </settings>
diff --git a/tests/regression_tests/track_output/test.py b/tests/regression_tests/track_output/test.py
index 6fe2b52cc..06c7e15f5 100644
--- a/tests/regression_tests/track_output/test.py
+++ b/tests/regression_tests/track_output/test.py
@@ -3,6 +3,8 @@ import os
 from pathlib import Path
 from subprocess import call
 
+import numpy as np
+import openmc
 import pytest
 
 from tests.testing_harness import TestHarness, config
@@ -20,16 +22,19 @@ class TrackTestHarness(TestHarness):
             assert Path('tracks.h5').is_file()
 
     def _get_results(self):
-        """Digest info in the statepoint and return as a string."""
-        # Run the track-to-vtk conversion script.
-        call(['../../../scripts/openmc-track-to-vtk', '-o', 'poly'] +
-             glob.glob('tracks*.h5'))
+        """Get data from track file and return as a string."""
 
-        # Make sure the vtk file was created then return it's contents.
-        assert Path('poly.pvtp').is_file(), 'poly.pvtp file not found.'
+        # For MPI mode, combine track files
+        if config['mpi']:
+            call(['../../../scripts/openmc-track-combine', '-o', 'tracks.h5'] +
+                 glob.glob('tracks_p*.h5'))
 
-        with open('poly.pvtp', 'r') as fin:
-            outstr = fin.read()
+        # Get string of track file information
+        outstr = ''
+        tracks = openmc.TrackFile('tracks.h5')
+        for track in tracks:
+            with np.printoptions(formatter={'float_kind': '{:.6e}'.format}):
+                outstr += str(track.particles) + '\n'
 
         return outstr
 

From 8ecfdf079675cb694e524614536740ee04387f55 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 19 May 2022 14:15:37 -0500
Subject: [PATCH 0308/2654] Update Settings.track to be list of 3-tuple

---
 openmc/settings.py                | 25 +++++++++++++------------
 openmc/trackfile.py               |  6 +++---
 tests/unit_tests/test_settings.py |  4 ++--
 3 files changed, 18 insertions(+), 17 deletions(-)

diff --git a/openmc/settings.py b/openmc/settings.py
index d11a577d1..8d8e2eba9 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -2,6 +2,7 @@ import os
 import typing  # imported separately as py3.8 requires typing.Iterable
 from collections.abc import Iterable, Mapping, MutableSequence
 from enum import Enum
+import itertools
 from math import ceil
 from numbers import Integral, Real
 from pathlib import Path
@@ -187,7 +188,7 @@ class Settings:
         integers: the batch number, generation number, and particle number
     track : tuple or list
         Specify particles for which track files should be written. Each particle
-        is identified by a triplet with the batch number, generation number, and
+        is identified by a tuple with the batch number, generation number, and
         particle number.
     trigger_active : bool
         Indicate whether tally triggers are used
@@ -776,16 +777,15 @@ class Settings:
         self._trace = trace
 
     @track.setter
-    def track(self, track: typing.Iterable[int]):
-        cv.check_type('track', track, Iterable, Integral)
-        if len(track) % 3 != 0:
-            msg = f'Unable to set the track to "{track}" since its length is ' \
-                  'not a multiple of 3'
-            raise ValueError(msg)
-        for t in zip(track[::3], track[1::3], track[2::3]):
+    def track(self, track: typing.Iterable[typing.Iterable[int]]):
+        cv.check_type('track', track, Iterable)
+        for t in track:
+            if len(t) != 3:
+                msg = f'Unable to set the track to "{t}" since its length is not 3'
+                raise ValueError(msg)
             cv.check_greater_than('track batch', t[0], 0)
-            cv.check_greater_than('track generation', t[0], 0)
-            cv.check_greater_than('track particle', t[0], 0)
+            cv.check_greater_than('track generation', t[1], 0)
+            cv.check_greater_than('track particle', t[2], 0)
         self._track = track
 
     @ufs_mesh.setter
@@ -1110,7 +1110,7 @@ class Settings:
     def _create_track_subelement(self, root):
         if self._track is not None:
             element = ET.SubElement(root, "track")
-            element.text = ' '.join(map(str, self._track))
+            element.text = ' '.join(map(str, itertools.chain(*self._track)))
 
     def _create_ufs_mesh_subelement(self, root):
         if self.ufs_mesh is not None:
@@ -1424,7 +1424,8 @@ class Settings:
     def _track_from_xml_element(self, root):
         text = get_text(root, 'track')
         if text is not None:
-            self.track = [int(x) for x in text.split()]
+            values = [int(x) for x in text.split()]
+            self.track = list(zip(values[::3], values[1::3], values[2::3]))
 
     def _ufs_mesh_from_xml_element(self, root):
         text = get_text(root, 'ufs_mesh')
diff --git a/openmc/trackfile.py b/openmc/trackfile.py
index 51527818c..8c2d02cd1 100644
--- a/openmc/trackfile.py
+++ b/openmc/trackfile.py
@@ -84,9 +84,9 @@ class Track:
     @property
     def sources(self):
         sources = []
-        for track_history in self.tracks:
-            particle_type = ParticleType(track_history.particle)
-            state = track_history.states[0]
+        for particle_track in self.particles:
+            particle_type = ParticleType(particle_track.particle)
+            state = particle_track.states[0]
             sources.append(
                 SourceParticle(
                     r=state['r'], u=state['u'], E=state['E'],
diff --git a/tests/unit_tests/test_settings.py b/tests/unit_tests/test_settings.py
index e2c7259e7..72b930b29 100644
--- a/tests/unit_tests/test_settings.py
+++ b/tests/unit_tests/test_settings.py
@@ -42,7 +42,7 @@ def test_export_to_xml(run_in_tmpdir):
     s.temperature = {'default': 293.6, 'method': 'interpolation',
                      'multipole': True, 'range': (200., 1000.)}
     s.trace = (10, 1, 20)
-    s.track = [1, 1, 1, 2, 1, 1]
+    s.track = [(1, 1, 1), (2, 1, 1)]
     s.ufs_mesh = mesh
     s.resonance_scattering = {'enable': True, 'method': 'rvs',
                               'energy_min': 1.0, 'energy_max': 1000.0,
@@ -99,7 +99,7 @@ def test_export_to_xml(run_in_tmpdir):
     assert s.temperature == {'default': 293.6, 'method': 'interpolation',
                              'multipole': True, 'range': [200., 1000.]}
     assert s.trace == [10, 1, 20]
-    assert s.track == [1, 1, 1, 2, 1, 1]
+    assert s.track == [(1, 1, 1), (2, 1, 1)]
     assert isinstance(s.ufs_mesh, openmc.RegularMesh)
     assert s.ufs_mesh.lower_left == [-10., -10., -10.]
     assert s.ufs_mesh.upper_right == [10., 10., 10.]

From 583d864f08c820c5a31d6095e540e01b605c2a62 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 19 May 2022 17:10:27 -0500
Subject: [PATCH 0309/2654] Put track file combining logic in TrackFile.combine
 staticmethod

---
 openmc/trackfile.py          | 24 ++++++++++++++++++++++++
 scripts/openmc-track-combine | 19 +++----------------
 2 files changed, 27 insertions(+), 16 deletions(-)

diff --git a/openmc/trackfile.py b/openmc/trackfile.py
index 8c2d02cd1..64ed5b707 100644
--- a/openmc/trackfile.py
+++ b/openmc/trackfile.py
@@ -130,3 +130,27 @@ class TrackFile(list):
         for track in self:
             track.plot(ax)
         plt.show()
+
+    @staticmethod
+    def combine(track_files, path='tracks.h5'):
+        """Combine multiple track files into a single track file
+
+        Parameters
+        ----------
+        track_files : list of path-like
+            Paths to track files to combine
+        path : path-like
+            Path of combined track file to create
+
+        """
+        with h5py.File(path, 'w') as h5_out:
+            for i, fname in enumerate(track_files):
+                with h5py.File(fname, 'r') as h5_in:
+                    # Copy file attributes for first file
+                    if i == 0:
+                        h5_out.attrs['filetype'] = h5_in.attrs['filetype']
+                        h5_out.attrs['version'] = h5_in.attrs['version']
+
+                    # Copy each 'track_*' dataset from input file
+                    for dset in h5_in:
+                        h5_in.copy(dset, h5_out)
diff --git a/scripts/openmc-track-combine b/scripts/openmc-track-combine
index 4bd2fb082..155fe9b54 100755
--- a/scripts/openmc-track-combine
+++ b/scripts/openmc-track-combine
@@ -1,12 +1,10 @@
 #!/usr/bin/env python3
 
-"""Combine multiple HDF5 particle track files.
-
-"""
+"""Combine multiple HDF5 particle track files."""
 
 import argparse
 
-import h5py
+import openmc
 
 
 def main():
@@ -19,18 +17,7 @@ def main():
                         help='Output HDF5 particle track file.')
 
     args = parser.parse_args()
-
-    with h5py.File(args.out, 'w') as h5_out:
-        for i, fname in enumerate(args.input):
-            with h5py.File(fname, 'r') as h5_in:
-                # Copy file attributes for first file
-                if i == 0:
-                    h5_out.attrs['filetype'] = h5_in.attrs['filetype']
-                    h5_out.attrs['version'] = h5_in.attrs['version']
-
-                # Copy each 'track_*' dataset from input file
-                for dset in h5_in:
-                    h5_in.copy(dset, h5_out)
+    openmc.TrackFile.combine(args.input, args.out)
 
 
 if __name__ == '__main__':

From 4f1e8f46f51aa3435e109bae85556b15c924138b Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 19 May 2022 17:27:47 -0500
Subject: [PATCH 0310/2654] Add unit tests for TrackFile class

---
 tests/unit_tests/test_tracks.py | 81 +++++++++++++++++++++++++++++++++
 1 file changed, 81 insertions(+)
 create mode 100644 tests/unit_tests/test_tracks.py

diff --git a/tests/unit_tests/test_tracks.py b/tests/unit_tests/test_tracks.py
new file mode 100644
index 000000000..a8b406c9c
--- /dev/null
+++ b/tests/unit_tests/test_tracks.py
@@ -0,0 +1,81 @@
+from pathlib import Path
+
+import numpy as np
+import openmc
+import pytest
+
+from tests.testing_harness import config
+
+
+@pytest.fixture
+def sphere_model():
+    mat = openmc.Material()
+    mat.add_nuclide('Zr90', 1.0)
+    mat.set_density('g/cm3', 1.0)
+
+    model = openmc.Model()
+    sph = openmc.Sphere(r=25.0, boundary_type='vacuum')
+    cell = openmc.Cell(fill=mat, region=-sph)
+    model.geometry = openmc.Geometry([cell])
+
+    model.settings.run_mode = 'fixed source'
+    model.settings.batches = 1
+    model.settings.particles = 100
+    model.settings.track = [(1, 1, 1), (1, 1, 10), (1, 1, 75)]
+
+    return model
+
+
+def test_tracks(sphere_model, run_in_tmpdir):
+    # If running in MPI mode, setup proper keyword arguments for run()
+    kwargs = {'openmc_exec': config['exe']}
+    if config['mpi']:
+        kwargs['mpi_args'] = [config['mpiexec'], '-n', config['mpi_np']]
+    sphere_model.run(**kwargs)
+
+    if config['mpi'] and int(config['mpi_np']) > 1:
+        # With MPI, we need to combine track files
+        track_files = Path.cwd().glob('tracks_p*.h5')
+        openmc.TrackFile.combine(track_files, 'tracks.h5')
+    else:
+        track_file = Path('tracks.h5')
+        assert track_file.is_file()
+
+    # Open track file and make sure we have correct number of tracks
+    tracks = openmc.TrackFile('tracks.h5')
+    assert len(tracks) == len(sphere_model.settings.track)
+
+    for track, identifier in zip(tracks, sphere_model.settings.track):
+        # Check attributes on Track object
+        assert isinstance(track, openmc.Track)
+        assert track.identifier == identifier
+        assert isinstance(track.particles, list)
+        assert len(track.particles) == 1
+
+        # Check attributes on ParticleTrack object
+        particle_track = track.particles[0]
+        assert isinstance(particle_track, openmc.ParticleTrack)
+        assert particle_track.particle == openmc.ParticleType.NEUTRON
+        assert isinstance(particle_track.states, np.ndarray)
+
+        # Sanity checks on actual data
+        for state in particle_track.states:
+            assert np.linalg.norm([*state['r']]) <= 25.0001
+            assert np.linalg.norm([*state['u']]) == pytest.approx(1.0)
+            assert 0.0 <= state['E'] <= 20.0e6
+            assert state['time'] >= 0.0
+            assert 0.0 <= state['wgt'] <= 1.0
+            assert state['cell_id'] == 1
+            assert state['material_id'] == 1
+
+        # Checks on 'sources' property
+        sources = track.sources
+        assert len(sources) == 1
+        x = sources[0]
+        state = particle_track.states[0]
+        assert x.r == (*state['r'],)
+        assert x.u == (*state['u'],)
+        assert x.E == state['E']
+        assert x.time == state['time']
+        assert x.wgt == state['wgt']
+        assert x.particle == particle_track.particle

From e34bf445f06fd724ca03aa69cd647b16a0ed4743 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 20 May 2022 07:25:10 -0500
Subject: [PATCH 0311/2654] Add max_tracks setting (maximum number of tracks
 per process)

---
 include/openmc/settings.h         |  1 +
 include/openmc/track_output.h     |  6 ++++++
 openmc/settings.py                | 29 +++++++++++++++++++++++++++-
 src/finalize.cpp                  |  1 +
 src/settings.cpp                  |  5 +++++
 src/simulation.cpp                | 13 +------------
 src/track_output.cpp              | 32 +++++++++++++++++++++++++++++--
 tests/unit_tests/test_settings.py |  2 ++
 tests/unit_tests/test_tracks.py   | 29 ++++++++++++++++++++++++----
 9 files changed, 99 insertions(+), 19 deletions(-)

diff --git a/include/openmc/settings.h b/include/openmc/settings.h
index 50be80a50..1e061b235 100644
--- a/include/openmc/settings.h
+++ b/include/openmc/settings.h
@@ -88,6 +88,7 @@ extern int max_order;         //!< Maximum Legendre order for multigroup data
 extern int n_log_bins;        //!< number of bins for logarithmic energy grid
 extern int n_batches;         //!< number of (inactive+active) batches
 extern int n_max_batches;     //!< Maximum number of batches
+extern int max_tracks; //!< Maximum number of particle tracks written to file
 extern ResScatMethod res_scat_method; //!< resonance upscattering method
 extern double res_scat_energy_min; //!< Min energy in [eV] for res. upscattering
 extern double res_scat_energy_max; //!< Max energy in [eV] for res. upscattering
diff --git a/include/openmc/track_output.h b/include/openmc/track_output.h
index c4641af2b..2380fe440 100644
--- a/include/openmc/track_output.h
+++ b/include/openmc/track_output.h
@@ -15,6 +15,12 @@ void open_track_file();
 //! Close HDF5 resources for track file
 void close_track_file();
 
+//! Determine whether a given particle should collect/write track information
+//
+//! \param[in] p  Current particle
+//! \return Whether to collect/write track information
+bool check_track_criteria(const Particle& p);
+
 //! Create a new track state history for a primary/secondary particle
 //
 //! \param[in] p  Current particle
diff --git a/openmc/settings.py b/openmc/settings.py
index 8d8e2eba9..641e68524 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -105,6 +105,10 @@ class Settings:
         Maximum number of times a particle can split during a history
 
         .. versionadded:: 0.13
+    max_tracks : int
+        Maximum number of tracks written to a track file (per MPI process).
+
+        .. versionadded:: 0.13.1
     no_reduce : bool
         Indicate that all user-defined and global tallies should not be reduced
         across processes in a parallel calculation.
@@ -291,6 +295,7 @@ class Settings:
         self._weight_windows = cv.CheckedList(WeightWindows, 'weight windows')
         self._weight_windows_on = None
         self._max_splits = None
+        self._max_tracks = None
 
     @property
     def run_mode(self):
@@ -476,6 +481,10 @@ class Settings:
     def max_splits(self):
         return self._max_splits
 
+    @property
+    def max_tracks(self):
+        return self._max_tracks
+
     @run_mode.setter
     def run_mode(self, run_mode: str):
         cv.check_value('run mode', run_mode, {x.value for x in RunMode})
@@ -881,9 +890,15 @@ class Settings:
     @max_splits.setter
     def max_splits(self, value: int):
         cv.check_type('maximum particle splits', value, Integral)
-        cv.check_greater_than('max particles in flight', value, 0)
+        cv.check_greater_than('max particle splits', value, 0)
         self._max_splits = value
 
+    @max_tracks.setter
+    def max_tracks(self, value: int):
+        cv.check_type('maximum particle tracks', value, Integral)
+        cv.check_greater_than('maximum particle tracks', value, 0, True)
+        self._max_tracks = value
+
     def _create_run_mode_subelement(self, root):
         elem = ET.SubElement(root, "run_mode")
         elem.text = self._run_mode.value
@@ -1196,6 +1211,11 @@ class Settings:
             elem = ET.SubElement(root, "max_splits")
             elem.text = str(self._max_splits)
 
+    def _create_max_tracks_subelement(self, root):
+        if self._max_tracks is not None:
+            elem = ET.SubElement(root, "max_tracks")
+            elem.text = str(self._max_tracks)
+
     def _eigenvalue_from_xml_element(self, root):
         elem = root.find('eigenvalue')
         if elem is not None:
@@ -1499,6 +1519,11 @@ class Settings:
         if text is not None:
             self.max_splits = int(text)
 
+    def _max_tracks_from_xml_element(self, root):
+        text = get_text(root, 'max_tracks')
+        if text is not None:
+            self.max_tracks = int(text)
+
     def export_to_xml(self, path: Union[str, os.PathLike] = 'settings.xml'):
         """Export simulation settings to an XML file.
 
@@ -1555,6 +1580,7 @@ class Settings:
         self._create_write_initial_source_subelement(root_element)
         self._create_weight_windows_subelement(root_element)
         self._create_max_splits_subelement(root_element)
+        self._create_max_tracks_subelement(root_element)
 
         # Clean the indentation in the file to be user-readable
         clean_indentation(root_element)
@@ -1634,6 +1660,7 @@ class Settings:
         settings._write_initial_source_from_xml_element(root)
         settings._weight_windows_from_xml_element(root)
         settings._max_splits_from_xml_element(root)
+        settings._max_tracks_from_xml_element(root)
 
         # TODO: Get volume calculations
 
diff --git a/src/finalize.cpp b/src/finalize.cpp
index 5bfe8907c..812483368 100644
--- a/src/finalize.cpp
+++ b/src/finalize.cpp
@@ -85,6 +85,7 @@ int openmc_finalize()
   settings::material_cell_offsets = true;
   settings::max_particles_in_flight = 100000;
   settings::max_splits = 1000;
+  settings::max_tracks = std::numeric_limits<int>::max();
   settings::n_inactive = 0;
   settings::n_particles = -1;
   settings::output_summary = true;
diff --git a/src/settings.cpp b/src/settings.cpp
index e2bce94d7..ecc1787c3 100644
--- a/src/settings.cpp
+++ b/src/settings.cpp
@@ -95,6 +95,7 @@ int n_log_bins {8000};
 int n_batches;
 int n_max_batches;
 int max_splits {1000};
+int max_tracks {std::numeric_limits<int>::max()};
 ResScatMethod res_scat_method {ResScatMethod::rvs};
 double res_scat_energy_min {0.01};
 double res_scat_energy_max {1000.0};
@@ -877,6 +878,10 @@ void read_settings_xml()
   if (check_for_node(root, "max_splits")) {
     settings::max_splits = std::stoi(get_node_value(root, "max_splits"));
   }
+
+  if (check_for_node(root, "max_tracks")) {
+    settings::max_tracks = std::stoi(get_node_value(root, "max_tracks"));
+  }
 }
 
 void free_memory_settings()
diff --git a/src/simulation.cpp b/src/simulation.cpp
index 728de8a85..b70535c33 100644
--- a/src/simulation.cpp
+++ b/src/simulation.cpp
@@ -517,18 +517,7 @@ void initialize_history(Particle& p, int64_t index_source)
     p.trace() = true;
 
   // Set particle track.
-  p.write_track() = false;
-  if (settings::write_all_tracks) {
-    p.write_track() = true;
-  } else if (settings::track_identifiers.size() > 0) {
-    for (const auto& t : settings::track_identifiers) {
-      if (simulation::current_batch == t[0] &&
-          simulation::current_gen == t[1] && p.id() == t[2]) {
-        p.write_track() = true;
-        break;
-      }
-    }
-  }
+  p.write_track() = check_track_criteria(p);
 
   // Display message if high verbosity or trace is on
   if (settings::verbosity >= 9 || p.trace()) {
diff --git a/src/track_output.cpp b/src/track_output.cpp
index a5d4e6c2f..f74920bbe 100644
--- a/src/track_output.cpp
+++ b/src/track_output.cpp
@@ -21,8 +21,9 @@ namespace openmc {
 // Global variables
 //==============================================================================
 
-hid_t track_file;  //! HDF5 identifier for track file
-hid_t track_dtype; //! HDF5 identifier for track datatype
+hid_t track_file;     //! HDF5 identifier for track file
+hid_t track_dtype;    //! HDF5 identifier for track datatype
+int n_tracks_written; //! Number of tracks written
 
 //==============================================================================
 // Non-member functions
@@ -81,6 +82,33 @@ void close_track_file()
 {
   H5Tclose(track_dtype);
   file_close(track_file);
+
+  // Reset number of tracks written
+  n_tracks_written = 0;
+}
+
+bool check_track_criteria(const Particle& p)
+{
+  if (settings::write_all_tracks) {
+    // Increment number of tracks written and get previous value
+    int n;
+#pragma omp atomic capture
+    n = n_tracks_written++;
+
+    // Indicate that track should be written for this particle
+    return n < settings::max_tracks;
+  }
+
+  // Check for match from explicit track identifiers
+  if (settings::track_identifiers.size() > 0) {
+    for (const auto& t : settings::track_identifiers) {
+      if (simulation::current_batch == t[0] &&
+          simulation::current_gen == t[1] && p.id() == t[2]) {
+        return true;
+      }
+    }
+  }
+  return false;
 }
 
 void finalize_particle_track(Particle& p)
diff --git a/tests/unit_tests/test_settings.py b/tests/unit_tests/test_settings.py
index 72b930b29..b21c036fa 100644
--- a/tests/unit_tests/test_settings.py
+++ b/tests/unit_tests/test_settings.py
@@ -14,6 +14,7 @@ def test_export_to_xml(run_in_tmpdir):
     s.keff_trigger = {'type': 'std_dev', 'threshold': 0.001}
     s.energy_mode = 'continuous-energy'
     s.max_order = 5
+    s.max_tracks = 1234
     s.source = openmc.Source(space=openmc.stats.Point())
     s.output = {'summary': True, 'tallies': False, 'path': 'here'}
     s.verbosity = 7
@@ -71,6 +72,7 @@ def test_export_to_xml(run_in_tmpdir):
     assert s.keff_trigger == {'type': 'std_dev', 'threshold': 0.001}
     assert s.energy_mode == 'continuous-energy'
     assert s.max_order == 5
+    assert s.max_tracks == 1234
     assert isinstance(s.source[0], openmc.Source)
     assert isinstance(s.source[0].space, openmc.stats.Point)
     assert s.output == {'summary': True, 'tallies': False, 'path': 'here'}
diff --git a/tests/unit_tests/test_tracks.py b/tests/unit_tests/test_tracks.py
index a8b406c9c..b82ea8459 100644
--- a/tests/unit_tests/test_tracks.py
+++ b/tests/unit_tests/test_tracks.py
@@ -21,17 +21,16 @@ def sphere_model():
     model.settings.run_mode = 'fixed source'
     model.settings.batches = 1
     model.settings.particles = 100
-    model.settings.track = [(1, 1, 1), (1, 1, 10), (1, 1, 75)]
 
     return model
 
 
-def test_tracks(sphere_model, run_in_tmpdir):
+def generate_track_file(model, **kwargs):
     # If running in MPI mode, setup proper keyword arguments for run()
-    kwargs = {'openmc_exec': config['exe']}
+    kwargs.setdefault('openmc_exec', config['exe'])
     if config['mpi']:
         kwargs['mpi_args'] = [config['mpiexec'], '-n', config['mpi_np']]
-    sphere_model.run(**kwargs)
+    model.run(**kwargs)
 
     if config['mpi'] and int(config['mpi_np']) > 1:
         # With MPI, we need to combine track files
@@ -41,6 +40,14 @@ def test_tracks(sphere_model, run_in_tmpdir):
         track_file = Path('tracks.h5')
         assert track_file.is_file()
 
+
+def test_tracks(sphere_model, run_in_tmpdir):
+    # Set track identifiers
+    sphere_model.settings.track = [(1, 1, 1), (1, 1, 10), (1, 1, 75)]
+
+    # Run OpenMC to generate tracks.h5 file
+    generate_track_file(sphere_model)
+
     # Open track file and make sure we have correct number of tracks
     tracks = openmc.TrackFile('tracks.h5')
     assert len(tracks) == len(sphere_model.settings.track)
@@ -79,3 +86,17 @@ def test_tracks(sphere_model, run_in_tmpdir):
         assert x.time == state['time']
         assert x.wgt == state['wgt']
         assert x.particle == particle_track.particle
+
+
+def test_max_tracks(sphere_model, run_in_tmpdir):
+    # Set maximum number of tracks per process to write
+    sphere_model.settings.max_tracks = expected_num_tracks = 10
+    if config['mpi']:
+        expected_num_tracks *= int(config['mpi_np'])
+
+    # Run OpenMC to generate tracks.h5 file
+    generate_track_file(sphere_model, tracks=True)
+
+    # Open track file and make sure we have correct number of tracks
+    tracks = openmc.TrackFile('tracks.h5')
+    assert len(tracks) == expected_num_tracks

From e056180f7335a1734072c618a8635adb9fc6920e Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 20 May 2022 10:41:38 -0500
Subject: [PATCH 0312/2654] Add doc section on particle track files to user's
 guide

---
 docs/source/pythonapi/base.rst      |  1 +
 docs/source/usersguide/settings.rst | 76 ++++++++++++++++++++++++++++-
 openmc/trackfile.py                 | 24 ++++++---
 3 files changed, 94 insertions(+), 7 deletions(-)

diff --git a/docs/source/pythonapi/base.rst b/docs/source/pythonapi/base.rst
index a54d2ff35..bc4325ae5 100644
--- a/docs/source/pythonapi/base.rst
+++ b/docs/source/pythonapi/base.rst
@@ -185,6 +185,7 @@ Post-processing
    :template: myclass.rst
 
    openmc.Particle
+   openmc.ParticleTrack
    openmc.StatePoint
    openmc.Summary
    openmc.Track
diff --git a/docs/source/usersguide/settings.rst b/docs/source/usersguide/settings.rst
index dabad32bd..9802a93e3 100644
--- a/docs/source/usersguide/settings.rst
+++ b/docs/source/usersguide/settings.rst
@@ -514,4 +514,78 @@ As an example, to write a statepoint file every five batches::
   settings.batches = n
   settings.statepoint = {'batches': range(5, n + 5, 5)}
 
-.. _NIST ESTAR database: https://physics.nist.gov/PhysRefData/Star/Text/ESTAR.html
+Particle Track Files
+--------------------
+
+OpenMC can generate a particle track file that contains track information
+(position, direction, energy, time, weight, cell ID, and material ID) for each
+state along a particle's history. There are two ways to indicate which particles
+and/or how many particles should have their tracks written. First, you can
+identify specific source particles by their batch, generation, and particle ID
+numbers::
+
+  settings.tracks = [
+    (1, 1, 50),
+    (2, 1, 30),
+    (5, 1, 75)
+  ]
+
+In this example, track information would be written for the 50th particle in the
+1st generation of batch 1, the 30th particle in the first generation of batch 2,
+and the 75th particle in the 1st generation of batch 5. Unless you are using
+more than one generation per batch (see :ref:`usersguide_particles`), the
+generation number should be 1. Alternatively, you can run OpenMC in a mode where
+track information is written for *all* particles, up to a user-specified limit::
+
+  openmc.run(tracks=True)
+
+In this case, you can control the maximum number of source particles for which
+tracks will be written as follows::
+
+  settings.max_tracks = 1000
+
+Particle track information is written to the ``tracks.h5`` file, which can be
+analyzed using the :class:`~openmc.TrackFile` class::
+
+  >>> tracks = openmc.TrackFile('tracks.h5')
+  >>> tracks
+  [<Track (1, 1, 50): 151 particles>,
+   <Track (2, 1, 30): 191 particles>,
+   <Track (5, 1, 75): 81 particles>]
+
+Each :class:`~openmc.Track` object stores a list of track information for every
+primary/secondary particle. In the above example, the first source particle
+produced 150 secondary particles for a total of 151 particles. Information for
+each primary/secondary particle can be accessed using the
+:attr:`~openmc.Track.particles` attribute::
+
+  >>> first_track = tracks[0]
+  >>> len(first_track.particles)
+  151
+  >>> photon = first_track.particles[10]
+  ParticleTrack(particle=<ParticleType.PHOTON: 1>, states=array([...]))
+
+The :class:`~openmc.ParticleTrack` class is a named tuple indicating the particle
+type and then a NumPy array of the "states". The states array is a compound type
+with a field for each physical quantity (position, direction, energy, time,
+weight, cell ID, and material ID). For example, to get the position for the
+above particle track::
+
+  >>> photon.states['r']
+  array([(-11.92987939, -12.28467295, 0.67837495),
+         (-11.95213726, -12.2682    , 0.68783964),
+         (-12.2682    , -12.03428339, 0.82223855),
+         (-12.5913778 , -11.79510096, 0.95966298),
+         (-12.6622572 , -11.74264344, 0.98980293),
+         (-12.6907775 , -11.7215357 , 1.00193058)],
+        dtype=[('x', '<f8'), ('y', '<f8'), ('z', '<f8')])
+
+The full list of fields is as follows:
+
+  :r: Position (each direction in [cm])
+  :u: Direction
+  :E: Energy in [eV]
+  :time: Time in [s]
+  :wgt: Weight
+  :cell_id: Cell ID
+  :material_id: Material ID
diff --git a/openmc/trackfile.py b/openmc/trackfile.py
index 64ed5b707..94e9aeb75 100644
--- a/openmc/trackfile.py
+++ b/openmc/trackfile.py
@@ -7,6 +7,20 @@ from .source import SourceParticle, ParticleType
 
 
 ParticleTrack = namedtuple('ParticleTrack', ['particle', 'states'])
+ParticleTrack.__doc__ = """\
+Particle track information
+
+Parameters
+----------
+particle : openmc.ParticleType
+    Type of the particle
+states : numpy.ndarray
+    Structured array containing each state of the particle. The structured array
+    contains the following fields: ``r`` (position; each direction in [cm]),
+    ``u`` (direction), ``E`` (energy in [eV]), ``time`` (time in [s]), ``wgt``
+    (weight), ``cell_id`` (cell ID) , and ``material_id`` (material ID).
+
+"""
 
 _VERSION_TRACK = 3
 
@@ -58,7 +72,7 @@ class Track:
 
         Parameters
         ----------
-        axes : matplotlib.pyplot.Axes, optional
+        axes : matplotlib.axes.Axes, optional
             Axes for plot
         """
         import matplotlib.pyplot as plt
@@ -100,16 +114,14 @@ class Track:
 class TrackFile(list):
     """Collection of particle tracks
 
+    This class behaves like a list and can be indexed using the normal subscript
+    notation. Each element in the list is a :class:`openmc.Track` object.
+
     Parameters
     ----------
     filepath : str or pathlib.Path
         Path of file to load
 
-    Attributes
-    ----------
-    tracks : list
-        List of :class:`Track` objects
-
     """
 
     def __init__(self, filepath):

From fb5597a88f453ed5726033e4f12edb8432717b24 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 20 May 2022 12:59:50 -0500
Subject: [PATCH 0313/2654] Mention multiple track files when run with MPI in
 documentation

---
 docs/source/usersguide/scripts.rst  |  4 +++-
 docs/source/usersguide/settings.rst | 10 ++++++++++
 2 files changed, 13 insertions(+), 1 deletion(-)

diff --git a/docs/source/usersguide/scripts.rst b/docs/source/usersguide/scripts.rst
index f38e1fd16..50d51a5b3 100644
--- a/docs/source/usersguide/scripts.rst
+++ b/docs/source/usersguide/scripts.rst
@@ -112,7 +112,7 @@ otherwise.
 tallies. The path to the statepoint file can be provided as an optional arugment
 (if omitted, a file dialog will be presented).
 
-.. _scripts_track:
+.. _scripts_track_combine:
 
 ------------------------
 ``openmc-track-combine``
@@ -125,6 +125,8 @@ filename can also be changed with the ``-o`` flag:
 
 -o OUT, --out OUT    Output HDF5 particle track file
 
+.. _scripts_track:
+
 -----------------------
 ``openmc-track-to-vtk``
 -----------------------
diff --git a/docs/source/usersguide/settings.rst b/docs/source/usersguide/settings.rst
index 9802a93e3..db06d8a0e 100644
--- a/docs/source/usersguide/settings.rst
+++ b/docs/source/usersguide/settings.rst
@@ -589,3 +589,13 @@ The full list of fields is as follows:
   :wgt: Weight
   :cell_id: Cell ID
   :material_id: Material ID
+
+.. note:: If you are using an MPI-enabled install of OpenMC and run a simulation
+          with more than one process, a separate track file will be written for
+          each MPI process with the filename ``tracks_p#.h5`` where # is the
+          rank of the corresponding process. Multiple track files can be
+          combined with the :ref:`scripts_track_combine` script:
+
+          .. code-block:: sh
+
+            openmc-track-combine tracks_p*.h5 --out tracks.h5

From c73a4d2e158214477f1100751bcfef0da5ae6089 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 20 May 2022 13:01:09 -0500
Subject: [PATCH 0314/2654] Make sure track file unit test uses reproducible
 cell/material IDs

---
 tests/unit_tests/test_tracks.py | 1 +
 1 file changed, 1 insertion(+)

diff --git a/tests/unit_tests/test_tracks.py b/tests/unit_tests/test_tracks.py
index b82ea8459..11febea26 100644
--- a/tests/unit_tests/test_tracks.py
+++ b/tests/unit_tests/test_tracks.py
@@ -9,6 +9,7 @@ from tests.testing_harness import config
 
 @pytest.fixture
 def sphere_model():
+    openmc.reset_auto_ids()
     mat = openmc.Material()
     mat.add_nuclide('Zr90', 1.0)
     mat.set_density('g/cm3', 1.0)

From 2e0472d57c6731b61ec20cf828c075f8c03b8f19 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Mon, 23 May 2022 12:28:28 -0500
Subject: [PATCH 0315/2654] Respond to @shimwell comments on #2071

---
 docs/source/io_formats/track.rst              |  12 +-
 include/openmc/particle_data.h                |  14 +-
 openmc/settings.py                            |   3 +
 openmc/source.py                              |   2 +-
 openmc/trackfile.py                           |  23 ++-
 .../track_output/results_true.dat             | 147 ++++++++++++++----
 .../track_output/settings.xml                 |   2 +-
 tests/unit_tests/test_tracks.py               |  20 ++-
 8 files changed, 174 insertions(+), 49 deletions(-)

diff --git a/docs/source/io_formats/track.rst b/docs/source/io_formats/track.rst
index 113f0cf14..59947ef22 100644
--- a/docs/source/io_formats/track.rst
+++ b/docs/source/io_formats/track.rst
@@ -19,12 +19,18 @@ The current revision of the particle track file format is 3.0.
              ``E``, ``time``, ``wgt``, ``cell_id``, and ``material_id``, which
              represent the position (each coordinate in [cm]), direction, energy
              in [eV], time in [s], weight, cell ID, and material ID,
-             respectively.
+             respectively. When the particle is present in a cell with no
+             material assigned, the material ID is given as -1. Note that this
+             array contains information for one or more primary/secondary
+             particles originating. The starting index for each
+             primary/secondary particle is given by the ``offsets`` attribute.
 
              :Attributes: - **n_particles** (*int*) -- Number of
                             primary/secondary particles for the source history.
-                          - **offsets** (*int[]*) Offset into the array for each
-                            primary/secondary particle.
+                          - **offsets** (*int[]*) Offset (starting index) into
+                            the array for each primary/secondary particle. The
+                            last offset should match the total size of the
+                            array.
                           - **particles** (*int[]*) -- Particle type for each
                             primary/secondary particle (0=neutron, 1=photon,
                             2=electron, 3=positron).
diff --git a/include/openmc/particle_data.h b/include/openmc/particle_data.h
index 3e6c8515c..434d58c23 100644
--- a/include/openmc/particle_data.h
+++ b/include/openmc/particle_data.h
@@ -58,13 +58,13 @@ struct SourceSite {
 
 //! State of a particle used for particle track files
 struct TrackState {
-  Position r;
-  Direction u;
-  double E;
-  double time {0.0};
-  double wgt {1.0};
-  int cell_id;
-  int material_id {-1};
+  Position r;           //!< Position in [cm]
+  Direction u;          //!< Direction
+  double E;             //!< Energy in [eV]
+  double time {0.0};    //!< Time in [s]
+  double wgt {1.0};     //!< Weight
+  int cell_id;          //!< Cell ID
+  int material_id {-1}; //!< Material ID (default value indicates void)
 };
 
 //! Full history of a single particle's track states
diff --git a/openmc/settings.py b/openmc/settings.py
index 641e68524..2d8121659 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -795,6 +795,9 @@ class Settings:
             cv.check_greater_than('track batch', t[0], 0)
             cv.check_greater_than('track generation', t[1], 0)
             cv.check_greater_than('track particle', t[2], 0)
+            cv.check_type('track batch', t[0], Integral)
+            cv.check_type('track generation', t[1], Integral)
+            cv.check_type('track particle', t[2], Integral)
         self._track = track
 
     @ufs_mesh.setter
diff --git a/openmc/source.py b/openmc/source.py
index 572333e37..bd4c28ba4 100644
--- a/openmc/source.py
+++ b/openmc/source.py
@@ -300,7 +300,7 @@ class SourceParticle:
 
     def __repr__(self):
         name = self.particle.name.lower()
-        return f'<SourceParticle: {name} at E={self.E:.3e} eV>'
+        return f'<SourceParticle: {name} at E={self.E:.6e} eV>'
 
     def to_tuple(self):
         """Return source particle attributes as a tuple
diff --git a/openmc/trackfile.py b/openmc/trackfile.py
index 94e9aeb75..6c94b6a04 100644
--- a/openmc/trackfile.py
+++ b/openmc/trackfile.py
@@ -74,6 +74,12 @@ class Track:
         ----------
         axes : matplotlib.axes.Axes, optional
             Axes for plot
+
+        Returns
+        -------
+        axes : matplotlib.axes.Axes
+            Axes for plot
+
         """
         import matplotlib.pyplot as plt
 
@@ -92,8 +98,7 @@ class Track:
             r = states['r']
             ax.plot3D(r['x'], r['y'], r['z'])
 
-        if axes is None:
-            plt.show()
+        return ax
 
     @property
     def sources(self):
@@ -135,13 +140,23 @@ class TrackFile(list):
                 self.append(Track(dset))
 
     def plot(self):
-        """Produce a 3D plot of particle tracks"""
+        """Produce a 3D plot of particle tracks
+
+        Returns
+        -------
+        matplotlib.axes.Axes
+            Axes for plot
+
+        """
         import matplotlib.pyplot as plt
         fig = plt.figure()
         ax = plt.axes(projection='3d')
+        ax.set_xlabel('x [cm]')
+        ax.set_ylabel('y [cm]')
+        ax.set_zlabel('z [cm]')
         for track in self:
             track.plot(ax)
-        plt.show()
+        return ax
 
     @staticmethod
     def combine(track_files, path='tracks.h5'):
diff --git a/tests/regression_tests/track_output/results_true.dat b/tests/regression_tests/track_output/results_true.dat
index 981625bf7..ee8913019 100644
--- a/tests/regression_tests/track_output/results_true.dat
+++ b/tests/regression_tests/track_output/results_true.dat
@@ -145,30 +145,125 @@
        ((-3.729948e+00, -9.976834e-01, 2.867135e+00), (-2.916959e-01, -6.494657e-01, -7.022164e-01), 8.590591e+00, 1.750036e-07, 1.000000e+00, 23, 1),
        ((-3.744933e+00, -1.031047e+00, 2.831062e+00), (-2.916959e-01, -6.494657e-01, -7.022164e-01), 8.590591e+00, 1.876753e-07, 0.000000e+00, 23, 1)],
       dtype=[('r', [('x', '<f8'), ('y', '<f8'), ('z', '<f8')]), ('u', [('x', '<f8'), ('y', '<f8'), ('z', '<f8')]), ('E', '<f8'), ('time', '<f8'), ('wgt', '<f8'), ('cell_id', '<i4'), ('material_id', '<i4')]))]
-[ParticleTrack(particle=<ParticleType.NEUTRON: 0>, states=array([((-9.896300e-01, -6.241550e-01, 7.890184e-01), (-4.012123e-01, 9.073327e-01, 1.256028e-01), 4.434429e+05, 0.000000e+00, 1.000000e+00, 23, 1),
-       ((-1.124354e+00, -3.194804e-01, 8.311948e-01), (-4.012123e-01, 9.073327e-01, 1.256028e-01), 4.434429e+05, 3.646971e-10, 1.000000e+00, 22, 3),
-       ((-1.169278e+00, -2.178843e-01, 8.452588e-01), (-4.012123e-01, 9.073327e-01, 1.256028e-01), 4.434429e+05, 4.863081e-10, 1.000000e+00, 21, 2),
-       ((-1.200617e+00, -1.470127e-01, 8.550696e-01), (4.985110e-01, -3.420076e-01, -7.965661e-01), 4.374324e+05, 5.711419e-10, 1.000000e+00, 21, 2),
-       ((-1.153218e+00, -1.795315e-01, 7.793306e-01), (4.985110e-01, -3.420076e-01, -7.965661e-01), 4.374324e+05, 6.751152e-10, 1.000000e+00, 22, 3),
-       ((-1.078639e+00, -2.306964e-01, 6.601629e-01), (4.985110e-01, -3.420076e-01, -7.965661e-01), 4.374324e+05, 8.387067e-10, 1.000000e+00, 23, 1),
-       ((-8.498389e-01, -3.876669e-01, 2.945646e-01), (1.295621e-01, -9.522956e-01, 2.763092e-01), 1.185198e+04, 1.340594e-09, 1.000000e+00, 23, 1),
-       ((-8.178800e-01, -6.225680e-01, 3.627213e-01), (1.295621e-01, -9.522956e-01, 2.763092e-01), 1.185198e+04, 2.978729e-09, 1.000000e+00, 11, 1),
-       ((-7.913073e-01, -8.178800e-01, 4.193912e-01), (1.295621e-01, -9.522956e-01, 2.763092e-01), 1.185198e+04, 4.340781e-09, 1.000000e+00, 23, 1),
-       ((-5.687582e-01, -2.453640e+00, 8.940079e-01), (1.295621e-01, -9.522956e-01, 2.763092e-01), 1.185198e+04, 1.574812e-08, 1.000000e+00, 23, 1),
-       ((-5.396956e-01, -2.667253e+00, 9.559878e-01), (8.346010e-01, -1.159281e-01, 5.385183e-01), 1.587581e+03, 1.723779e-08, 1.000000e+00, 23, 1),
-       ((-2.229408e-01, -2.711251e+00, 1.160371e+00), (8.346010e-01, -1.159281e-01, 5.385183e-01), 1.587581e+03, 2.412440e-08, 1.000000e+00, 22, 3),
-       ((3.672002e-01, -2.793223e+00, 1.541154e+00), (8.346010e-01, -1.159281e-01, 5.385183e-01), 1.587581e+03, 3.695471e-08, 1.000000e+00, 23, 1),
-       ((8.178800e-01, -2.855823e+00, 1.831950e+00), (8.346010e-01, -1.159281e-01, 5.385183e-01), 1.587581e+03, 4.675299e-08, 1.000000e+00, 23, 1),
-       ((8.973133e-01, -2.866857e+00, 1.883204e+00), (8.867277e-01, -4.590349e-01, 5.478139e-02), 1.077251e+03, 4.847996e-08, 1.000000e+00, 23, 1),
-       ((1.109695e+00, -2.976801e+00, 1.896325e+00), (8.867277e-01, -4.590349e-01, 5.478139e-02), 1.077251e+03, 5.375585e-08, 1.000000e+00, 22, 3),
-       ((1.188016e+00, -3.017346e+00, 1.901163e+00), (8.867277e-01, -4.590349e-01, 5.478139e-02), 1.077251e+03, 5.570149e-08, 1.000000e+00, 21, 2),
-       ((2.101785e+00, -3.490379e+00, 1.957615e+00), (8.867277e-01, -4.590349e-01, 5.478139e-02), 1.077251e+03, 7.840096e-08, 1.000000e+00, 22, 3),
-       ((2.180107e+00, -3.530924e+00, 1.962454e+00), (8.867277e-01, -4.590349e-01, 5.478139e-02), 1.077251e+03, 8.034660e-08, 1.000000e+00, 23, 1),
-       ((2.331655e+00, -3.609377e+00, 1.971817e+00), (5.352328e-01, -1.825854e-01, 8.247353e-01), 3.972292e+02, 8.411129e-08, 1.000000e+00, 23, 1),
-       ((2.453640e+00, -3.650990e+00, 2.159783e+00), (5.352328e-01, -1.825854e-01, 8.247353e-01), 3.972292e+02, 9.237876e-08, 1.000000e+00, 11, 1),
-       ((3.052522e+00, -3.855288e+00, 3.082595e+00), (-6.240259e-01, 3.743550e-01, 6.858936e-01), 7.908847e+00, 1.329675e-07, 1.000000e+00, 11, 1),
-       ((2.955791e+00, -3.797259e+00, 3.188916e+00), (-8.018916e-01, -4.124485e-01, 4.322686e-01), 3.121121e+00, 1.728180e-07, 1.000000e+00, 11, 1),
-       ((2.937908e+00, -3.806457e+00, 3.198556e+00), (-4.476221e-02, -9.803939e-01, -1.918959e-01), 1.564715e+00, 1.819446e-07, 1.000000e+00, 11, 1),
-       ((2.924989e+00, -4.089400e+00, 3.143175e+00), (-4.476221e-02, -9.803939e-01, -1.918959e-01), 1.564715e+00, 3.487493e-07, 1.000000e+00, 23, 1),
-       ((2.922113e+00, -4.152398e+00, 3.130844e+00), (-4.476221e-02, -9.803939e-01, -1.918959e-01), 1.564715e+00, 3.858887e-07, 0.000000e+00, 23, 1)],
+[ParticleTrack(particle=<ParticleType.NEUTRON: 0>, states=array([((6.474155e+00, -5.192870e+00, 5.413003e+00), (-3.042035e-02, -9.914979e-01, 1.265170e-01), 2.052226e+06, 4.450859e-05, 1.000000e+00, 21, 2),
+       ((6.467293e+00, -5.416535e+00, 5.441544e+00), (-3.042035e-02, -9.914979e-01, 1.265170e-01), 2.052226e+06, 4.450870e-05, 1.000000e+00, 22, 3),
+       ((6.464574e+00, -5.505149e+00, 5.452851e+00), (-3.042035e-02, -9.914979e-01, 1.265170e-01), 2.052226e+06, 4.450874e-05, 1.000000e+00, 23, 1),
+       ((6.461877e+00, -5.593034e+00, 5.464065e+00), (6.364108e-01, -7.713322e-01, 5.284745e-03), 1.141417e+06, 4.450879e-05, 1.000000e+00, 23, 1),
+       ((6.570892e+00, -5.725160e+00, 5.464970e+00), (6.364108e-01, -7.713322e-01, 5.284745e-03), 1.141417e+06, 4.450891e-05, 1.000000e+00, 32, 1),
+       ((6.821003e+00, -6.028296e+00, 5.467047e+00), (6.364108e-01, -7.713322e-01, 5.284745e-03), 1.141417e+06, 4.450917e-05, 1.000000e+00, 31, 4),
+       ((7.101210e+00, -6.367908e+00, 5.469374e+00), (6.364108e-01, -7.713322e-01, 5.284745e-03), 1.141417e+06, 4.450947e-05, 1.000000e+00, 32, 1),
+       ((7.360920e+00, -6.682677e+00, 5.471531e+00), (6.364108e-01, -7.713322e-01, 5.284745e-03), 1.141417e+06, 4.450975e-05, 1.000000e+00, 23, 1),
+       ((7.833926e+00, -7.255962e+00, 5.475459e+00), (9.404210e-01, 3.383106e-01, -3.397550e-02), 1.289848e+05, 4.451025e-05, 1.000000e+00, 23, 1),
+       ((8.142528e+00, -7.144944e+00, 5.464309e+00), (9.404210e-01, 3.383106e-01, -3.397550e-02), 1.289848e+05, 4.451091e-05, 1.000000e+00, 22, 3),
+       ((8.590199e+00, -6.983897e+00, 5.448136e+00), (9.404210e-01, 3.383106e-01, -3.397550e-02), 1.289848e+05, 4.451187e-05, 1.000000e+00, 23, 1),
+       ((8.682515e+00, -6.950687e+00, 5.444801e+00), (6.997233e-01, 7.142820e-01, 1.373092e-02), 1.043159e+05, 4.451207e-05, 1.000000e+00, 23, 1),
+       ((8.996680e+00, -6.629985e+00, 5.450966e+00), (6.997233e-01, 7.142820e-01, 1.373092e-02), 1.043159e+05, 4.451307e-05, 1.000000e+00, 23, 1),
+       ((9.231138e+00, -6.390649e+00, 5.455567e+00), (6.997233e-01, 7.142820e-01, 1.373092e-02), 1.043159e+05, 4.451382e-05, 1.000000e+00, 22, 3),
+       ((9.650189e+00, -5.962879e+00, 5.463790e+00), (6.997233e-01, 7.142820e-01, 1.373092e-02), 1.043159e+05, 4.451516e-05, 1.000000e+00, 23, 1),
+       ((9.721007e+00, -5.890588e+00, 5.465180e+00), (6.565855e-01, -1.880518e-01, -7.304327e-01), 1.036285e+04, 4.451539e-05, 1.000000e+00, 23, 1),
+       ((9.939012e+00, -5.953026e+00, 5.222655e+00), (6.565855e-01, -1.880518e-01, -7.304327e-01), 1.036285e+04, 4.451775e-05, 1.000000e+00, 22, 3),
+       ((1.002133e+01, -5.976602e+00, 5.131083e+00), (6.565855e-01, -1.880518e-01, -7.304327e-01), 1.036285e+04, 4.451864e-05, 1.000000e+00, 23, 1),
+       ((1.020258e+01, -6.028514e+00, 4.929446e+00), (8.848761e-01, -4.005580e-02, -4.641012e-01), 8.908873e+03, 4.452060e-05, 1.000000e+00, 23, 1),
+       ((1.063244e+01, -6.047973e+00, 4.703991e+00), (8.848761e-01, -4.005580e-02, -4.641012e-01), 8.908873e+03, 4.452432e-05, 1.000000e+00, 23, 1),
+       ((1.084241e+01, -6.057477e+00, 4.593868e+00), (9.066652e-01, -6.565865e-02, 4.167099e-01), 3.324374e+03, 4.452614e-05, 1.000000e+00, 23, 1),
+       ((1.107130e+01, -6.074053e+00, 4.699070e+00), (9.066652e-01, -6.565865e-02, 4.167099e-01), 3.324374e+03, 4.452930e-05, 1.000000e+00, 22, 3),
+       ((1.121611e+01, -6.084540e+00, 4.765623e+00), (9.066652e-01, -6.565865e-02, 4.167099e-01), 3.324374e+03, 4.453130e-05, 1.000000e+00, 21, 2),
+       ((1.174815e+01, -6.123069e+00, 5.010155e+00), (9.066652e-01, -6.565865e-02, 4.167099e-01), 3.324374e+03, 4.453866e-05, 1.000000e+00, 22, 3),
+       ((1.189296e+01, -6.133556e+00, 5.076709e+00), (9.066652e-01, -6.565865e-02, 4.167099e-01), 3.324374e+03, 4.454067e-05, 1.000000e+00, 23, 1),
+       ((1.221698e+01, -6.157021e+00, 5.225634e+00), (5.263177e-01, -7.048209e-01, -4.756229e-01), 3.449618e+02, 4.454515e-05, 1.000000e+00, 23, 1),
+       ((1.226820e+01, -6.225607e+00, 5.179351e+00), (5.263177e-01, -7.048209e-01, -4.756229e-01), 3.449618e+02, 4.454893e-05, 1.000000e+00, 23, 1),
+       ((1.230378e+01, -6.273253e+00, 5.147199e+00), (9.203567e-01, -2.667811e-01, -2.859569e-01), 2.269067e+02, 4.455157e-05, 1.000000e+00, 23, 1),
+       ((1.237909e+01, -6.295083e+00, 5.123800e+00), (8.444192e-01, -5.115818e-01, 1.588717e-01), 1.686474e+02, 4.455549e-05, 1.000000e+00, 23, 1),
+       ((1.250758e+01, -6.372926e+00, 5.147974e+00), (8.444192e-01, -5.115818e-01, 1.588717e-01), 1.686474e+02, 4.456396e-05, 1.000000e+00, 22, 3),
+       ((1.258603e+01, -6.420455e+00, 5.162734e+00), (8.444192e-01, -5.115818e-01, 1.588717e-01), 1.686474e+02, 4.456914e-05, 1.000000e+00, 21, 2),
+       ((1.264082e+01, -6.453648e+00, 5.173042e+00), (3.837750e-01, -8.931658e-01, -2.344604e-01), 1.632815e+02, 4.457275e-05, 1.000000e+00, 21, 2),
+       ((1.288240e+01, -7.015898e+00, 5.025449e+00), (3.837750e-01, -8.931658e-01, -2.344604e-01), 1.632815e+02, 4.460837e-05, 1.000000e+00, 22, 3),
+       ((1.292943e+01, -7.125332e+00, 4.996722e+00), (3.837750e-01, -8.931658e-01, -2.344604e-01), 1.632815e+02, 4.461530e-05, 1.000000e+00, 23, 1),
+       ((1.303065e+01, -7.360920e+00, 4.934879e+00), (3.837750e-01, -8.931658e-01, -2.344604e-01), 1.632815e+02, 4.463022e-05, 1.000000e+00, 23, 1),
+       ((1.309295e+01, -7.505897e+00, 4.896822e+00), (3.189366e-01, -9.220512e-01, 2.193195e-01), 1.303968e+02, 4.463941e-05, 1.000000e+00, 23, 1),
+       ((1.311741e+01, -7.576618e+00, 4.913644e+00), (3.189366e-01, -9.220512e-01, 2.193195e-01), 1.303968e+02, 4.464426e-05, 1.000000e+00, 22, 3),
+       ((1.314895e+01, -7.667795e+00, 4.935331e+00), (3.189366e-01, -9.220512e-01, 2.193195e-01), 1.303968e+02, 4.465052e-05, 1.000000e+00, 21, 2),
+       ((1.345125e+01, -8.541749e+00, 5.143210e+00), (3.189366e-01, -9.220512e-01, 2.193195e-01), 1.303968e+02, 4.471053e-05, 1.000000e+00, 22, 3),
+       ((1.348278e+01, -8.632925e+00, 5.164897e+00), (3.189366e-01, -9.220512e-01, 2.193195e-01), 1.303968e+02, 4.471679e-05, 1.000000e+00, 23, 1),
+       ((1.356121e+01, -8.859646e+00, 5.218825e+00), (3.469373e-01, -8.669828e-01, 3.577365e-01), 1.276458e+02, 4.473236e-05, 1.000000e+00, 23, 1),
+       ((1.361604e+01, -8.996680e+00, 5.275368e+00), (3.469373e-01, -8.669828e-01, 3.577365e-01), 1.276458e+02, 4.474248e-05, 1.000000e+00, 23, 1),
+       ((1.390396e+01, -9.716172e+00, 5.572247e+00), (3.469373e-01, -8.669828e-01, 3.577365e-01), 1.276458e+02, 4.479558e-05, 1.000000e+00, 23, 1),
+       ((1.399742e+01, -9.949713e+00, 5.668611e+00), (-5.897476e-01, -6.217559e-01, 5.153807e-01), 3.643244e+01, 4.481282e-05, 1.000000e+00, 23, 1),
+       ((1.390396e+01, -1.004824e+01, 5.750282e+00), (-5.897476e-01, -6.217559e-01, 5.153807e-01), 3.643244e+01, 4.483180e-05, 1.000000e+00, 23, 1),
+       ((1.334984e+01, -1.063244e+01, 6.234531e+00), (-5.897476e-01, -6.217559e-01, 5.153807e-01), 3.643244e+01, 4.494435e-05, 1.000000e+00, 23, 1),
+       ((1.317711e+01, -1.081455e+01, 6.385480e+00), (-4.211158e-01, -4.515418e-01, 7.866203e-01), 3.302717e+01, 4.497943e-05, 1.000000e+00, 23, 1),
+       ((1.316679e+01, -1.082561e+01, 6.404749e+00), (-5.182259e-01, 3.860612e-01, 7.631505e-01), 1.437084e+01, 4.498251e-05, 1.000000e+00, 23, 1),
+       ((1.292206e+01, -1.064329e+01, 6.765147e+00), (-8.169098e-01, 1.482852e-01, 5.573777e-01), 1.219816e+01, 4.507257e-05, 1.000000e+00, 23, 1),
+       ((1.286229e+01, -1.063244e+01, 6.805923e+00), (-8.169098e-01, 1.482852e-01, 5.573777e-01), 1.219816e+01, 4.508772e-05, 1.000000e+00, 23, 1),
+       ((1.284917e+01, -1.063006e+01, 6.814880e+00), (-5.213758e-01, -3.360250e-01, 7.843816e-01), 8.052778e+00, 4.509105e-05, 1.000000e+00, 23, 1),
+       ((1.284547e+01, -1.063244e+01, 6.820442e+00), (-5.213758e-01, -3.360250e-01, 7.843816e-01), 8.052778e+00, 4.509285e-05, 1.000000e+00, 23, 1),
+       ((1.249929e+01, -1.085555e+01, 7.341246e+00), (-1.520079e-01, -3.513652e-01, 9.238161e-01), 7.069024e+00, 4.526201e-05, 1.000000e+00, 23, 1),
+       ((1.240103e+01, -1.108268e+01, 7.938428e+00), (-7.405967e-01, -3.230926e-01, 5.891754e-01), 4.460475e+00, 4.543779e-05, 1.000000e+00, 23, 1),
+       ((1.229354e+01, -1.112958e+01, 8.023945e+00), (-6.892797e-01, 5.508903e-01, 4.705458e-01), 2.006774e+00, 4.548748e-05, 1.000000e+00, 23, 1),
+       ((1.226820e+01, -1.110933e+01, 8.041241e+00), (-6.892797e-01, 5.508903e-01, 4.705458e-01), 2.006774e+00, 4.550624e-05, 1.000000e+00, 23, 1),
+       ((1.198501e+01, -1.088299e+01, 8.234567e+00), (-7.677533e-01, 4.569444e-01, 4.491733e-01), 1.935517e+00, 4.571593e-05, 1.000000e+00, 23, 1),
+       ((1.156403e+01, -1.063244e+01, 8.480859e+00), (-7.677533e-01, 4.569444e-01, 4.491733e-01), 1.935517e+00, 4.600087e-05, 1.000000e+00, 23, 1),
+       ((1.150264e+01, -1.059590e+01, 8.516776e+00), (-7.780064e-01, -9.937785e-02, 6.203467e-01), 1.893413e+00, 4.604243e-05, 1.000000e+00, 23, 1),
+       ((1.121659e+01, -1.063244e+01, 8.744860e+00), (-7.780064e-01, -9.937785e-02, 6.203467e-01), 1.893413e+00, 4.623561e-05, 1.000000e+00, 23, 1),
+       ((1.063244e+01, -1.070706e+01, 9.210632e+00), (-7.780064e-01, -9.937785e-02, 6.203467e-01), 1.893413e+00, 4.663011e-05, 1.000000e+00, 23, 1),
+       ((1.035391e+01, -1.074263e+01, 9.432717e+00), (-4.847677e-01, -8.685325e-01, -1.032060e-01), 5.647686e-01, 4.681821e-05, 1.000000e+00, 23, 1),
+       ((1.031409e+01, -1.081397e+01, 9.424239e+00), (-4.227592e-01, -9.022601e-01, -8.486053e-02), 5.651902e-01, 4.689723e-05, 1.000000e+00, 23, 1),
+       ((1.028497e+01, -1.087614e+01, 9.418392e+00), (1.549579e-01, -4.270887e-01, 8.908329e-01), 5.395517e-01, 4.696349e-05, 1.000000e+00, 23, 1),
+       ((1.034128e+01, -1.103135e+01, 9.742126e+00), (5.631544e-01, 4.925564e-01, 6.635098e-01), 2.637257e-01, 4.732118e-05, 1.000000e+00, 23, 1),
+       ((1.044415e+01, -1.094137e+01, 9.863334e+00), (-1.034377e-01, 7.912271e-01, 6.027108e-01), 1.474934e-01, 4.757836e-05, 1.000000e+00, 23, 1),
+       ((1.043959e+01, -1.090643e+01, 9.889950e+00), (1.163182e-01, 9.160889e-01, -3.837331e-01), 1.522434e-01, 4.766149e-05, 1.000000e+00, 23, 1),
+       ((1.045733e+01, -1.076664e+01, 9.831395e+00), (-8.136862e-01, 9.805444e-02, -5.729748e-01), 3.341488e-02, 4.794423e-05, 1.000000e+00, 23, 1),
+       ((1.044231e+01, -1.076483e+01, 9.820815e+00), (-8.437241e-01, 5.222731e-01, -1.239373e-01), 3.874838e-02, 4.801727e-05, 1.000000e+00, 23, 1),
+       ((1.028725e+01, -1.066884e+01, 9.798037e+00), (-8.066297e-01, 3.960430e-01, -4.387465e-01), 3.989754e-02, 4.869227e-05, 1.000000e+00, 23, 1),
+       ((1.021310e+01, -1.063244e+01, 9.757708e+00), (-8.066297e-01, 3.960430e-01, -4.387465e-01), 3.989754e-02, 4.902498e-05, 1.000000e+00, 23, 1),
+       ((1.012717e+01, -1.059025e+01, 9.710967e+00), (-4.762033e-01, 8.377852e-01, -2.671075e-01), 3.271721e-02, 4.941058e-05, 1.000000e+00, 23, 1),
+       ((1.001043e+01, -1.038486e+01, 9.645483e+00), (-4.762033e-01, 8.377852e-01, -2.671075e-01), 3.271721e-02, 5.039049e-05, 1.000000e+00, 22, 3),
+       ((9.971285e+00, -1.031600e+01, 9.623530e+00), (5.437395e-01, -6.104117e-01, -5.759730e-01), 2.765456e-02, 5.071901e-05, 1.000000e+00, 22, 3),
+       ((1.002723e+01, -1.037881e+01, 9.564267e+00), (5.437395e-01, -6.104117e-01, -5.759730e-01), 2.765456e-02, 5.116633e-05, 1.000000e+00, 23, 1),
+       ((1.025152e+01, -1.063060e+01, 9.326683e+00), (-8.159392e-01, -4.792697e-03, 5.781179e-01), 2.920905e-02, 5.295966e-05, 1.000000e+00, 23, 1),
+       ((1.000779e+01, -1.063203e+01, 9.499373e+00), (-6.486477e-01, -4.621598e-01, -6.047020e-01), 2.383638e-02, 5.422329e-05, 1.000000e+00, 23, 1),
+       ((1.000721e+01, -1.063244e+01, 9.498835e+00), (-6.486477e-01, -4.621598e-01, -6.047020e-01), 2.383638e-02, 5.422746e-05, 1.000000e+00, 23, 1),
+       ((9.852478e+00, -1.074269e+01, 9.354584e+00), (-6.686452e-01, -2.988396e-01, 6.808880e-01), 2.993224e-02, 5.534454e-05, 1.000000e+00, 23, 1),
+       ((9.765042e+00, -1.078177e+01, 9.443621e+00), (7.712484e-01, -5.215773e-01, 3.648739e-01), 3.590785e-02, 5.589099e-05, 1.000000e+00, 23, 1),
+       ((9.798992e+00, -1.080472e+01, 9.459682e+00), (-4.563170e-01, 8.081811e-01, -3.723144e-01), 2.674168e-02, 5.605894e-05, 1.000000e+00, 23, 1),
+       ((9.792857e+00, -1.079386e+01, 9.454677e+00), (-9.080336e-01, 4.172659e-01, 3.693418e-02), 9.753404e-03, 5.611838e-05, 1.000000e+00, 23, 1),
+       ((9.653805e+00, -1.072996e+01, 9.460332e+00), (-3.727950e-01, 2.889342e-01, -8.817828e-01), 1.781716e-02, 5.723944e-05, 1.000000e+00, 23, 1),
+       ((9.628677e+00, -1.071048e+01, 9.400895e+00), (-6.406523e-01, 7.657269e-01, -5.680598e-02), 1.764425e-02, 5.760453e-05, 1.000000e+00, 23, 1),
+       ((9.563380e+00, -1.063244e+01, 9.395105e+00), (-6.406523e-01, 7.657269e-01, -5.680598e-02), 1.764425e-02, 5.815928e-05, 1.000000e+00, 23, 1),
+       ((9.411305e+00, -1.045068e+01, 9.381621e+00), (3.205568e-01, -1.311309e-02, -9.471385e-01), 2.153422e-02, 5.945128e-05, 1.000000e+00, 23, 1),
+       ((9.860026e+00, -1.046903e+01, 8.055798e+00), (6.278124e-01, 1.023095e-01, -7.716115e-01), 2.013742e-02, 6.634788e-05, 1.000000e+00, 23, 1),
+       ((1.007604e+01, -1.043383e+01, 7.790303e+00), (6.790346e-01, 5.167838e-01, 5.213891e-01), 1.340865e-02, 6.810089e-05, 1.000000e+00, 23, 1),
+       ((1.008869e+01, -1.042421e+01, 7.800011e+00), (2.792456e-01, 1.367953e-01, 9.504257e-01), 8.576635e-03, 6.821715e-05, 1.000000e+00, 23, 1),
+       ((1.017046e+01, -1.038415e+01, 8.078330e+00), (-9.462370e-01, 3.185163e-01, 5.641780e-02), 1.119274e-01, 7.050324e-05, 1.000000e+00, 23, 1),
+       ((1.008276e+01, -1.035463e+01, 8.083559e+00), (-9.462370e-01, 3.185163e-01, 5.641780e-02), 1.119274e-01, 7.070353e-05, 1.000000e+00, 22, 3),
+       ((9.952201e+00, -1.031068e+01, 8.091343e+00), (-9.462370e-01, 3.185163e-01, 5.641780e-02), 1.119274e-01, 7.100170e-05, 1.000000e+00, 21, 2),
+       ((9.404929e+00, -1.012646e+01, 8.123973e+00), (-9.462370e-01, 3.185163e-01, 5.641780e-02), 1.119274e-01, 7.225157e-05, 1.000000e+00, 22, 3),
+       ((9.274369e+00, -1.008251e+01, 8.131758e+00), (-9.462370e-01, 3.185163e-01, 5.641780e-02), 1.119274e-01, 7.254974e-05, 1.000000e+00, 23, 1),
+       ((9.126730e+00, -1.003281e+01, 8.140560e+00), (-8.389978e-01, -2.248732e-01, 4.954945e-01), 1.164832e-01, 7.288692e-05, 1.000000e+00, 23, 1),
+       ((8.996680e+00, -1.006767e+01, 8.217365e+00), (-8.389978e-01, -2.248732e-01, 4.954945e-01), 1.164832e-01, 7.321528e-05, 1.000000e+00, 23, 1),
+       ((8.694758e+00, -1.014859e+01, 8.395674e+00), (5.156148e-01, 7.316558e-01, 4.458937e-01), 1.391972e-01, 7.397758e-05, 1.000000e+00, 23, 1),
+       ((8.996680e+00, -9.720167e+00, 8.656770e+00), (5.156148e-01, 7.316558e-01, 4.458937e-01), 1.391972e-01, 7.511228e-05, 1.000000e+00, 23, 1),
+       ((9.263031e+00, -9.342216e+00, 8.887105e+00), (5.734531e-01, -5.017666e-01, 6.475970e-01), 9.798082e-02, 7.611330e-05, 1.000000e+00, 23, 1),
+       ((9.334809e+00, -9.405021e+00, 8.968164e+00), (5.419546e-03, -7.721039e-01, -6.354732e-01), 1.234091e-01, 7.640240e-05, 1.000000e+00, 23, 1),
+       ((9.335117e+00, -9.448857e+00, 8.932084e+00), (5.419546e-03, -7.721039e-01, -6.354732e-01), 1.234091e-01, 7.651925e-05, 1.000000e+00, 22, 3),
+       ((9.336345e+00, -9.623801e+00, 8.788098e+00), (5.419546e-03, -7.721039e-01, -6.354732e-01), 1.234091e-01, 7.698556e-05, 1.000000e+00, 21, 2),
+       ((9.339070e+00, -1.001201e+01, 8.468584e+00), (5.419546e-03, -7.721039e-01, -6.354732e-01), 1.234091e-01, 7.802034e-05, 1.000000e+00, 22, 3),
+       ((9.340298e+00, -1.018696e+01, 8.324598e+00), (5.419546e-03, -7.721039e-01, -6.354732e-01), 1.234091e-01, 7.848665e-05, 1.000000e+00, 23, 1),
+       ((9.343193e+00, -1.059945e+01, 7.985097e+00), (1.798796e-01, 3.522536e-02, -9.830577e-01), 1.283272e-01, 7.958616e-05, 1.000000e+00, 23, 1),
+       ((9.397753e+00, -1.058877e+01, 7.686922e+00), (6.459563e-01, 7.279465e-03, -7.633397e-01), 1.319449e-01, 8.019832e-05, 1.000000e+00, 23, 1),
+       ((9.462343e+00, -1.058804e+01, 7.610595e+00), (-5.748716e-01, 5.760301e-01, -5.811299e-01), 8.880732e-02, 8.039733e-05, 1.000000e+00, 23, 1),
+       ((9.287877e+00, -1.041322e+01, 7.434230e+00), (-4.932135e-03, 1.668926e-01, 9.859627e-01), 3.503028e-02, 8.113361e-05, 1.000000e+00, 23, 1),
+       ((9.286930e+00, -1.038117e+01, 7.623600e+00), (-9.325544e-02, -9.933000e-01, -6.825369e-02), 3.173764e-02, 8.187553e-05, 1.000000e+00, 23, 1),
+       ((9.283901e+00, -1.041342e+01, 7.621384e+00), (-4.235208e-01, -5.129112e-01, 7.466942e-01), 4.258127e-02, 8.200731e-05, 1.000000e+00, 23, 1),
+       ((9.264517e+00, -1.043690e+01, 7.655560e+00), (-7.165846e-01, 3.926265e-01, 5.764988e-01), 4.485063e-02, 8.216767e-05, 1.000000e+00, 23, 1),
+       ((9.256348e+00, -1.043242e+01, 7.662132e+00), (1.703748e-01, -9.175599e-01, -3.592441e-01), 3.521226e-02, 8.220659e-05, 1.000000e+00, 23, 1),
+       ((9.284015e+00, -1.058143e+01, 7.603793e+00), (3.963415e-01, -8.051509e-01, 4.411865e-01), 2.970280e-02, 8.283227e-05, 1.000000e+00, 23, 1),
+       ((9.309126e+00, -1.063244e+01, 7.631745e+00), (3.963415e-01, -8.051509e-01, 4.411865e-01), 2.970280e-02, 8.309804e-05, 1.000000e+00, 23, 1),
+       ((9.317824e+00, -1.065011e+01, 7.641427e+00), (7.190682e-01, 8.976507e-02, -6.891177e-01), 2.867417e-02, 8.319011e-05, 1.000000e+00, 23, 1),
+       ((9.459378e+00, -1.063244e+01, 7.505770e+00), (7.190682e-01, 8.976507e-02, -6.891177e-01), 2.867417e-02, 8.403060e-05, 1.000000e+00, 23, 1),
+       ((9.492454e+00, -1.062831e+01, 7.474071e+00), (4.092619e-03, -9.482095e-01, -3.176193e-01), 4.656141e-02, 8.422700e-05, 1.000000e+00, 23, 1),
+       ((9.492472e+00, -1.063244e+01, 7.472688e+00), (4.092619e-03, -9.482095e-01, -3.176193e-01), 4.656141e-02, 8.424159e-05, 1.000000e+00, 23, 1),
+       ((9.492761e+00, -1.069927e+01, 7.450302e+00), (9.457151e-01, -1.928731e-01, 2.615777e-01), 4.542312e-02, 8.447773e-05, 1.000000e+00, 23, 1),
+       ((9.890524e+00, -1.078039e+01, 7.560320e+00), (7.849118e-01, -1.237812e-01, -6.071175e-01), 5.609444e-02, 8.590450e-05, 1.000000e+00, 23, 1),
+       ((1.004645e+01, -1.080498e+01, 7.439717e+00), (7.849118e-01, -1.237812e-01, -6.071175e-01), 5.609444e-02, 8.651090e-05, 0.000000e+00, 23, 1)],
       dtype=[('r', [('x', '<f8'), ('y', '<f8'), ('z', '<f8')]), ('u', [('x', '<f8'), ('y', '<f8'), ('z', '<f8')]), ('E', '<f8'), ('time', '<f8'), ('wgt', '<f8'), ('cell_id', '<i4'), ('material_id', '<i4')]))]
diff --git a/tests/regression_tests/track_output/settings.xml b/tests/regression_tests/track_output/settings.xml
index 8c5829483..dcfa118c8 100644
--- a/tests/regression_tests/track_output/settings.xml
+++ b/tests/regression_tests/track_output/settings.xml
@@ -17,7 +17,7 @@
   <track>
     1 1 1
     1 1 30
-    1 1 60
+    2 1 60
   </track>
 
 </settings>
diff --git a/tests/unit_tests/test_tracks.py b/tests/unit_tests/test_tracks.py
index 11febea26..fa3640f34 100644
--- a/tests/unit_tests/test_tracks.py
+++ b/tests/unit_tests/test_tracks.py
@@ -20,8 +20,8 @@ def sphere_model():
     model.geometry = openmc.Geometry([cell])
 
     model.settings.run_mode = 'fixed source'
-    model.settings.batches = 1
-    model.settings.particles = 100
+    model.settings.batches = 2
+    model.settings.particles = 50
 
     return model
 
@@ -42,9 +42,13 @@ def generate_track_file(model, **kwargs):
         assert track_file.is_file()
 
 
-def test_tracks(sphere_model, run_in_tmpdir):
+@pytest.mark.parametrize("particle", ["neutron", "photon"])
+def test_tracks(sphere_model, particle, run_in_tmpdir):
     # Set track identifiers
-    sphere_model.settings.track = [(1, 1, 1), (1, 1, 10), (1, 1, 75)]
+    sphere_model.settings.track = [(1, 1, 1), (1, 1, 10), (2, 1, 15)]
+
+    # Set source particle
+    sphere_model.settings.source = openmc.Source(particle=particle)
 
     # Run OpenMC to generate tracks.h5 file
     generate_track_file(sphere_model)
@@ -58,12 +62,14 @@ def test_tracks(sphere_model, run_in_tmpdir):
         assert isinstance(track, openmc.Track)
         assert track.identifier == identifier
         assert isinstance(track.particles, list)
-        assert len(track.particles) == 1
+        if particle == 'neutron':
+            assert len(track.particles) == 1
 
         # Check attributes on ParticleTrack object
         particle_track = track.particles[0]
         assert isinstance(particle_track, openmc.ParticleTrack)
-        assert particle_track.particle == openmc.ParticleType.NEUTRON
+
+        assert particle_track.particle.name.lower() == particle
         assert isinstance(particle_track.states, np.ndarray)
 
         # Sanity checks on actual data
@@ -78,7 +84,7 @@ def test_tracks(sphere_model, run_in_tmpdir):
 
         # Checks on 'sources' property
         sources = track.sources
-        assert len(sources) == 1
+        assert len(sources) == len(track.particles)
         x = sources[0]
         state = particle_track.states[0]
         assert x.r == (*state['r'],)

From 6865b03d35e54a3e9a3704584ee467494d6156b0 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Mon, 23 May 2022 12:33:12 -0500
Subject: [PATCH 0316/2654] Disabled GNU extensions for openmc, libopenmc CMake
 targets

---
 CMakeLists.txt | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 3f0d4807a..3cf72db20 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -455,9 +455,10 @@ target_compile_options(openmc PRIVATE ${cxxflags})
 target_include_directories(openmc PRIVATE ${CMAKE_BINARY_DIR}/include)
 target_link_libraries(openmc libopenmc)
 
-# Ensure C++14 standard is used
+# Ensure C++14 standard is used and turn off GNU extensions
 target_compile_features(openmc PUBLIC cxx_std_14)
 target_compile_features(libopenmc PUBLIC cxx_std_14)
+set_target_properties(openmc libopenmc PROPERTIES CXX_EXTENSIONS OFF)
 
 #===============================================================================
 # Python package

From d20064945cad54e2b9e3c27844046ccd8cf14ae5 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 24 May 2022 07:11:37 -0500
Subject: [PATCH 0317/2654] Read in color specification in
 Plot.from_xml_element

---
 openmc/plots.py                | 32 +++++++++++++++++++-------------
 tests/unit_tests/test_plots.py |  2 ++
 2 files changed, 21 insertions(+), 13 deletions(-)

diff --git a/openmc/plots.py b/openmc/plots.py
index 5e9c48413..a1933cb5c 100644
--- a/openmc/plots.py
+++ b/openmc/plots.py
@@ -213,8 +213,8 @@ class Plot(IDManagerMixin):
         The basis directions for the plot
     background : Iterable of int or str
         Color of the background
-    mask_components : Iterable of openmc.Cell or openmc.Material
-        The cells or materials to plot
+    mask_components : Iterable of openmc.Cell or openmc.Material or int
+        The cells or materials (or corresponding IDs) to mask
     mask_background : Iterable of int or str
         Color to apply to all cells/materials not listed in mask_components
     show_overlaps : bool
@@ -222,8 +222,10 @@ class Plot(IDManagerMixin):
     overlap_color : Iterable of int or str
         Color to apply to overlapping regions
     colors : dict
-        Dictionary indicating that certain cells/materials (keys) should be
-        displayed with a particular color.
+        Dictionary indicating that certain cells/materials should be
+        displayed with a particular color. The keys can be of type
+        :class:`~openmc.Cell`, :class:`~openmc.Material`, or int (ID for a
+        cell/material).
     level : int
         Universe depth to plot at
     meshlines : dict
@@ -373,14 +375,15 @@ class Plot(IDManagerMixin):
     def colors(self, colors):
         cv.check_type('plot colors', colors, Mapping)
         for key, value in colors.items():
-            cv.check_type('plot color key', key, (openmc.Cell, openmc.Material))
+            cv.check_type('plot color key', key,
+                          (openmc.Cell, openmc.Material, Integral))
             self._check_color('plot color value', value)
         self._colors = colors
 
     @mask_components.setter
     def mask_components(self, mask_components):
         cv.check_type('plot mask components', mask_components, Iterable,
-                      (openmc.Cell, openmc.Material))
+                      (openmc.Cell, openmc.Material, Integral))
         self._mask_components = mask_components
 
     @mask_background.setter
@@ -634,11 +637,15 @@ class Plot(IDManagerMixin):
                 color = _SVG_COLORS[color.lower()]
             subelement.text = ' '.join(str(x) for x in color)
 
+        # Helper function to handle either int or Cell/Material
+        def get_id(domain):
+            return getattr(domain, 'id', domain)
+
         if self._colors:
             for domain, color in sorted(self._colors.items(),
-                                        key=lambda x: x[0].id):
+                                        key=lambda x: get_id(x[0])):
                 subelement = ET.SubElement(element, "color")
-                subelement.set("id", str(domain.id))
+                subelement.set("id", str(get_id(domain)))
                 if isinstance(color, str):
                     color = _SVG_COLORS[color.lower()]
                 subelement.set("rgb", ' '.join(str(x) for x in color))
@@ -646,7 +653,7 @@ class Plot(IDManagerMixin):
         if self._mask_components is not None:
             subelement = ET.SubElement(element, "mask")
             subelement.set("components", ' '.join(
-                str(d.id) for d in self._mask_components))
+                str(get_id(d)) for d in self._mask_components))
             color = self._mask_background
             if color is not None:
                 if isinstance(color, str):
@@ -720,15 +727,14 @@ class Plot(IDManagerMixin):
         # Set plot colors
         colors = {}
         for color_elem in elem.findall("color"):
-            uid = color_elem.get("id")
+            uid = int(color_elem.get("id"))
             colors[uid] = tuple([int(x) for x in color_elem.get("rgb").split()])
-        # TODO: set colors (needs geometry information)
+        plot.colors = colors
 
         # Set masking information
         mask_elem = elem.find("mask")
         if mask_elem is not None:
-            mask_components = [int(x) for x in mask_elem.get("components").split()]
-            # TODO: set mask components (needs geometry information)
+            plot.mask_components = [int(x) for x in mask_elem.get("components").split()]
             background = mask_elem.get("background")
             if background is not None:
                 plot.mask_background = tuple([int(x) for x in background.split()])
diff --git a/tests/unit_tests/test_plots.py b/tests/unit_tests/test_plots.py
index 718f098ba..f61b52604 100644
--- a/tests/unit_tests/test_plots.py
+++ b/tests/unit_tests/test_plots.py
@@ -92,6 +92,7 @@ def test_xml_element(myplot):
 def test_plots(run_in_tmpdir):
     p1 = openmc.Plot(name='plot1')
     p1.origin = (5., 5., 5.)
+    p1.colors = {10: (255, 100, 0)}
     p2 = openmc.Plot(name='plot2')
     p2.origin = (-3., -3., -3.)
     plots = openmc.Plots([p1, p2])
@@ -107,4 +108,5 @@ def test_plots(run_in_tmpdir):
     new_plots = openmc.Plots.from_xml()
     assert len(plots)
     assert plots[0].origin == p1.origin
+    assert plots[0].colors == p1.colors
     assert plots[1].origin == p2.origin

From 321de2a4d106d50ff712b22e35e71e47e6dae5ef Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 24 May 2022 09:09:51 -0500
Subject: [PATCH 0318/2654] Fix reading rotation matrix from XML

---
 openmc/cell.py                |  5 ++++-
 tests/unit_tests/test_cell.py | 17 +++++++++++++++++
 2 files changed, 21 insertions(+), 1 deletion(-)

diff --git a/openmc/cell.py b/openmc/cell.py
index feba18da5..103a34fe6 100644
--- a/openmc/cell.py
+++ b/openmc/cell.py
@@ -690,7 +690,10 @@ class Cell(IDManagerMixin):
         for key in ('temperature', 'rotation', 'translation'):
             value = get_text(elem, key)
             if value is not None:
-                setattr(c, key, [float(x) for x in value.split()])
+                values = [float(x) for x in value.split()]
+                if key == 'rotation' and len(values) == 9:
+                    values = np.array(values).reshape(3, 3)
+                setattr(c, key, values)
 
         # Add this cell to appropriate universe
         univ_id = int(get_text(elem, 'universe', 0))
diff --git a/tests/unit_tests/test_cell.py b/tests/unit_tests/test_cell.py
index 9234e7e4b..faecf0b63 100644
--- a/tests/unit_tests/test_cell.py
+++ b/tests/unit_tests/test_cell.py
@@ -297,3 +297,20 @@ def test_to_xml_element(cell_with_lattice):
     elem = c.create_xml_subelement(root)
     assert elem.get('region') == str(c.region)
     assert elem.get('temperature') == str(c.temperature)
+
+
+@pytest.mark.parametrize("rotation", [
+    (90, 45, 0),
+    [[1.0, 0.0, 0.0], [0.0, 0.0, 1.0], [0.0, -1.0, 0.0]]
+])
+def test_rotation_from_xml(rotation):
+    # Make sure rotation attribute (matrix) round trips through XML correctly
+    s = openmc.ZCylinder(r=10.0)
+    cell = openmc.Cell(region=-s)
+    cell.rotation = rotation
+    root = ET.Element('geometry')
+    elem = cell.create_xml_subelement(root)
+    new_cell = openmc.Cell.from_xml_element(
+        elem, {s.id: s}, {'void': None}, openmc.Universe
+    )
+    np.testing.assert_allclose(new_cell.rotation, cell.rotation)

From 773749c2b67447dc31f0ded6a2e26f9f15daf707 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 24 May 2022 10:57:09 -0500
Subject: [PATCH 0319/2654] Mention units in surface docstrings

---
 openmc/surface.py | 204 +++++++++++++++++++++++-----------------------
 1 file changed, 102 insertions(+), 102 deletions(-)

diff --git a/openmc/surface.py b/openmc/surface.py
index 926b2fedc..b3bcebb11 100644
--- a/openmc/surface.py
+++ b/openmc/surface.py
@@ -760,7 +760,7 @@ class XPlane(PlaneMixin, Surface):
     Parameters
     ----------
     x0 : float, optional
-        Location of the plane. Defaults to 0.
+        Location of the plane in [cm]. Defaults to 0.
     boundary_type : {'transmission, 'vacuum', 'reflective', 'periodic', 'white'}, optional
         Boundary condition that defines the behavior for particles hitting the
         surface. Defaults to transmissive boundary condition where particles
@@ -775,7 +775,7 @@ class XPlane(PlaneMixin, Surface):
     Attributes
     ----------
     x0 : float
-        Location of the plane
+        Location of the plane in [cm]
     boundary_type : {'transmission, 'vacuum', 'reflective', 'periodic', 'white'}
         Boundary condition that defines the behavior for particles hitting the
         surface.
@@ -819,7 +819,7 @@ class YPlane(PlaneMixin, Surface):
     Parameters
     ----------
     y0 : float, optional
-        Location of the plane
+        Location of the plane in [cm]
     boundary_type : {'transmission, 'vacuum', 'reflective', 'periodic', 'white'}, optional
         Boundary condition that defines the behavior for particles hitting the
         surface. Defaults to transmissive boundary condition where particles
@@ -834,7 +834,7 @@ class YPlane(PlaneMixin, Surface):
     Attributes
     ----------
     y0 : float
-        Location of the plane
+        Location of the plane in [cm]
     boundary_type : {'transmission, 'vacuum', 'reflective', 'periodic', 'white'}
         Boundary condition that defines the behavior for particles hitting the
         surface.
@@ -878,7 +878,7 @@ class ZPlane(PlaneMixin, Surface):
     Parameters
     ----------
     z0 : float, optional
-        Location of the plane. Defaults to 0.
+        Location of the plane in [cm]. Defaults to 0.
     boundary_type : {'transmission, 'vacuum', 'reflective', 'periodic', 'white'}, optional
         Boundary condition that defines the behavior for particles hitting the
         surface. Defaults to transmissive boundary condition where particles
@@ -893,7 +893,7 @@ class ZPlane(PlaneMixin, Surface):
     Attributes
     ----------
     z0 : float
-        Location of the plane
+        Location of the plane in [cm]
     boundary_type : {'transmission, 'vacuum', 'reflective', 'periodic', 'white'}
         Boundary condition that defines the behavior for particles hitting the
         surface.
@@ -991,8 +991,8 @@ class QuadricMixin:
         Parameters
         ----------
         point : 3-tuple of float
-            The Cartesian coordinates, :math:`(x',y',z')`, at which the surface
-            equation should be evaluated.
+            The Cartesian coordinates, :math:`(x',y',z')`, in [cm] at which the
+            surface equation should be evaluated.
 
         Returns
         -------
@@ -1106,13 +1106,13 @@ class Cylinder(QuadricMixin, Surface):
     Parameters
     ----------
     x0 : float, optional
-        x-coordinate for the origin of the Cylinder. Defaults to 0
+        x-coordinate for the origin of the Cylinder in [cm]. Defaults to 0
     y0 : float, optional
-        y-coordinate for the origin of the Cylinder. Defaults to 0
+        y-coordinate for the origin of the Cylinder in [cm]. Defaults to 0
     z0 : float, optional
-        z-coordinate for the origin of the Cylinder. Defaults to 0
+        z-coordinate for the origin of the Cylinder in [cm]. Defaults to 0
     r : float, optional
-        Radius of the cylinder. Defaults to 1.
+        Radius of the cylinder in [cm]. Defaults to 1.
     dx : float, optional
         x-component of the vector representing the axis of the cylinder.
         Defaults to 0.
@@ -1136,13 +1136,13 @@ class Cylinder(QuadricMixin, Surface):
     Attributes
     ----------
     x0 : float
-        x-coordinate for the origin of the Cylinder
+        x-coordinate for the origin of the Cylinder in [cm]
     y0 : float
-        y-coordinate for the origin of the Cylinder
+        y-coordinate for the origin of the Cylinder in [cm]
     z0 : float
-        z-coordinate for the origin of the Cylinder
+        z-coordinate for the origin of the Cylinder in [cm]
     r : float
-        Radius of the cylinder
+        Radius of the cylinder in [cm]
     dx : float
         x-component of the vector representing the axis of the cylinder
     dy : float
@@ -1243,7 +1243,7 @@ class Cylinder(QuadricMixin, Surface):
         p1, p2 : 3-tuples
             Points that pass through the plane, p1 will be used as (x0, y0, z0)
         r : float, optional
-            Radius of the cylinder. Defaults to 1.
+            Radius of the cylinder in [cm]. Defaults to 1.
         kwargs : dict
             Keyword arguments passed to the :class:`Cylinder` constructor
 
@@ -1288,11 +1288,11 @@ class XCylinder(QuadricMixin, Surface):
     Parameters
     ----------
     y0 : float, optional
-        y-coordinate for the origin of the Cylinder. Defaults to 0
+        y-coordinate for the origin of the Cylinder in [cm]. Defaults to 0
     z0 : float, optional
-        z-coordinate for the origin of the Cylinder. Defaults to 0
+        z-coordinate for the origin of the Cylinder in [cm]. Defaults to 0
     r : float, optional
-        Radius of the cylinder. Defaults to 1.
+        Radius of the cylinder in [cm]. Defaults to 1.
     boundary_type : {'transmission, 'vacuum', 'reflective', 'white'}, optional
         Boundary condition that defines the behavior for particles hitting the
         surface. Defaults to transmissive boundary condition where particles
@@ -1307,11 +1307,11 @@ class XCylinder(QuadricMixin, Surface):
     Attributes
     ----------
     y0 : float
-        y-coordinate for the origin of the Cylinder
+        y-coordinate for the origin of the Cylinder in [cm]
     z0 : float
-        z-coordinate for the origin of the Cylinder
+        z-coordinate for the origin of the Cylinder in [cm]
     r : float
-        Radius of the cylinder
+        Radius of the cylinder in [cm]
     boundary_type : {'transmission, 'vacuum', 'reflective', 'white'}
         Boundary condition that defines the behavior for particles hitting the
         surface.
@@ -1379,11 +1379,11 @@ class YCylinder(QuadricMixin, Surface):
     Parameters
     ----------
     x0 : float, optional
-        x-coordinate for the origin of the Cylinder. Defaults to 0
+        x-coordinate for the origin of the Cylinder in [cm]. Defaults to 0
     z0 : float, optional
-        z-coordinate for the origin of the Cylinder. Defaults to 0
+        z-coordinate for the origin of the Cylinder in [cm]. Defaults to 0
     r : float, optional
-        Radius of the cylinder. Defaults to 1.
+        Radius of the cylinder in [cm]. Defaults to 1.
     boundary_type : {'transmission, 'vacuum', 'reflective', 'white'}, optional
         Boundary condition that defines the behavior for particles hitting the
         surface. Defaults to transmissive boundary condition where particles
@@ -1398,11 +1398,11 @@ class YCylinder(QuadricMixin, Surface):
     Attributes
     ----------
     x0 : float
-        x-coordinate for the origin of the Cylinder
+        x-coordinate for the origin of the Cylinder in [cm]
     z0 : float
-        z-coordinate for the origin of the Cylinder
+        z-coordinate for the origin of the Cylinder in [cm]
     r : float
-        Radius of the cylinder
+        Radius of the cylinder in [cm]
     boundary_type : {'transmission, 'vacuum', 'reflective', 'white'}
         Boundary condition that defines the behavior for particles hitting the
         surface.
@@ -1470,11 +1470,11 @@ class ZCylinder(QuadricMixin, Surface):
     Parameters
     ----------
     x0 : float, optional
-        x-coordinate for the origin of the Cylinder. Defaults to 0
+        x-coordinate for the origin of the Cylinder in [cm]. Defaults to 0
     y0 : float, optional
-        y-coordinate for the origin of the Cylinder. Defaults to 0
+        y-coordinate for the origin of the Cylinder in [cm]. Defaults to 0
     r : float, optional
-        Radius of the cylinder. Defaults to 1.
+        Radius of the cylinder in [cm]. Defaults to 1.
     boundary_type : {'transmission, 'vacuum', 'reflective', 'white'}, optional
         Boundary condition that defines the behavior for particles hitting the
         surface. Defaults to transmissive boundary condition where particles
@@ -1489,11 +1489,11 @@ class ZCylinder(QuadricMixin, Surface):
     Attributes
     ----------
     x0 : float
-        x-coordinate for the origin of the Cylinder
+        x-coordinate for the origin of the Cylinder in [cm]
     y0 : float
-        y-coordinate for the origin of the Cylinder
+        y-coordinate for the origin of the Cylinder in [cm]
     r : float
-        Radius of the cylinder
+        Radius of the cylinder in [cm]
     boundary_type : {'transmission, 'vacuum', 'reflective', 'white'}
         Boundary condition that defines the behavior for particles hitting the
         surface.
@@ -1560,13 +1560,13 @@ class Sphere(QuadricMixin, Surface):
     Parameters
     ----------
     x0 : float, optional
-        x-coordinate of the center of the sphere. Defaults to 0.
+        x-coordinate of the center of the sphere in [cm]. Defaults to 0.
     y0 : float, optional
-        y-coordinate of the center of the sphere. Defaults to 0.
+        y-coordinate of the center of the sphere in [cm]. Defaults to 0.
     z0 : float, optional
-        z-coordinate of the center of the sphere. Defaults to 0.
+        z-coordinate of the center of the sphere in [cm]. Defaults to 0.
     r : float, optional
-        Radius of the sphere. Defaults to 1.
+        Radius of the sphere in [cm]. Defaults to 1.
     boundary_type : {'transmission, 'vacuum', 'reflective', 'white'}, optional
         Boundary condition that defines the behavior for particles hitting the
         surface. Defaults to transmissive boundary condition where particles
@@ -1580,13 +1580,13 @@ class Sphere(QuadricMixin, Surface):
     Attributes
     ----------
     x0 : float
-        x-coordinate of the center of the sphere
+        x-coordinate of the center of the sphere in [cm]
     y0 : float
-        y-coordinate of the center of the sphere
+        y-coordinate of the center of the sphere in [cm]
     z0 : float
-        z-coordinate of the center of the sphere
+        z-coordinate of the center of the sphere in [cm]
     r : float
-        Radius of the sphere
+        Radius of the sphere in [cm]
     boundary_type : {'transmission, 'vacuum', 'reflective', 'white'}
         Boundary condition that defines the behavior for particles hitting the
         surface.
@@ -1653,11 +1653,11 @@ class Cone(QuadricMixin, Surface):
     Parameters
     ----------
     x0 : float, optional
-        x-coordinate of the apex. Defaults to 0.
+        x-coordinate of the apex in [cm]. Defaults to 0.
     y0 : float, optional
-        y-coordinate of the apex. Defaults to 0.
+        y-coordinate of the apex in [cm]. Defaults to 0.
     z0 : float, optional
-        z-coordinate of the apex. Defaults to 0.
+        z-coordinate of the apex in [cm]. Defaults to 0.
     r2 : float, optional
         Parameter related to the aperature. Defaults to 1.
     dx : float, optional
@@ -1682,11 +1682,11 @@ class Cone(QuadricMixin, Surface):
     Attributes
     ----------
     x0 : float
-        x-coordinate of the apex
+        x-coordinate of the apex in [cm]
     y0 : float
-        y-coordinate of the apex
+        y-coordinate of the apex in [cm]
     z0 : float
-        z-coordinate of the apex
+        z-coordinate of the apex in [cm]
     r2 : float
         Parameter related to the aperature
     dx : float
@@ -1796,11 +1796,11 @@ class XCone(QuadricMixin, Surface):
     Parameters
     ----------
     x0 : float, optional
-        x-coordinate of the apex. Defaults to 0.
+        x-coordinate of the apex in [cm]. Defaults to 0.
     y0 : float, optional
-        y-coordinate of the apex. Defaults to 0.
+        y-coordinate of the apex in [cm]. Defaults to 0.
     z0 : float, optional
-        z-coordinate of the apex. Defaults to 0.
+        z-coordinate of the apex in [cm]. Defaults to 0.
     r2 : float, optional
         Parameter related to the aperature. Defaults to 1.
     boundary_type : {'transmission, 'vacuum', 'reflective', 'white'}, optional
@@ -1816,11 +1816,11 @@ class XCone(QuadricMixin, Surface):
     Attributes
     ----------
     x0 : float
-        x-coordinate of the apex
+        x-coordinate of the apex in [cm]
     y0 : float
-        y-coordinate of the apex
+        y-coordinate of the apex in [cm]
     z0 : float
-        z-coordinate of the apex
+        z-coordinate of the apex in [cm]
     r2 : float
         Parameter related to the aperature
     boundary_type : {'transmission, 'vacuum', 'reflective', 'white'}
@@ -1885,11 +1885,11 @@ class YCone(QuadricMixin, Surface):
     Parameters
     ----------
     x0 : float, optional
-        x-coordinate of the apex. Defaults to 0.
+        x-coordinate of the apex in [cm]. Defaults to 0.
     y0 : float, optional
-        y-coordinate of the apex. Defaults to 0.
+        y-coordinate of the apex in [cm]. Defaults to 0.
     z0 : float, optional
-        z-coordinate of the apex. Defaults to 0.
+        z-coordinate of the apex in [cm]. Defaults to 0.
     r2 : float, optional
         Parameter related to the aperature. Defaults to 1.
     boundary_type : {'transmission, 'vacuum', 'reflective', 'white'}, optional
@@ -1905,11 +1905,11 @@ class YCone(QuadricMixin, Surface):
     Attributes
     ----------
     x0 : float
-        x-coordinate of the apex
+        x-coordinate of the apex in [cm]
     y0 : float
-        y-coordinate of the apex
+        y-coordinate of the apex in [cm]
     z0 : float
-        z-coordinate of the apex
+        z-coordinate of the apex in [cm]
     r2 : float
         Parameter related to the aperature
     boundary_type : {'transmission, 'vacuum', 'reflective', 'white'}
@@ -1974,11 +1974,11 @@ class ZCone(QuadricMixin, Surface):
     Parameters
     ----------
     x0 : float, optional
-        x-coordinate of the apex. Defaults to 0.
+        x-coordinate of the apex in [cm]. Defaults to 0.
     y0 : float, optional
-        y-coordinate of the apex. Defaults to 0.
+        y-coordinate of the apex in [cm]. Defaults to 0.
     z0 : float, optional
-        z-coordinate of the apex. Defaults to 0.
+        z-coordinate of the apex in [cm]. Defaults to 0.
     r2 : float, optional
         Parameter related to the aperature. Defaults to 1.
     boundary_type : {'transmission, 'vacuum', 'reflective', 'white'}, optional
@@ -1994,11 +1994,11 @@ class ZCone(QuadricMixin, Surface):
     Attributes
     ----------
     x0 : float
-        x-coordinate of the apex
+        x-coordinate of the apex in [cm]
     y0 : float
-        y-coordinate of the apex
+        y-coordinate of the apex in [cm]
     z0 : float
-        z-coordinate of the apex
+        z-coordinate of the apex in [cm]
     r2 : float
         Parameter related to the aperature
     boundary_type : {'transmission, 'vacuum', 'reflective', 'white'}
@@ -2198,34 +2198,34 @@ class XTorus(TorusMixin, Surface):
     Parameters
     ----------
     x0 : float
-        x-coordinate of the center of the axis of revolution
+        x-coordinate of the center of the axis of revolution in [cm]
     y0 : float
-        y-coordinate of the center of the axis of revolution
+        y-coordinate of the center of the axis of revolution in [cm]
     z0 : float
-        z-coordinate of the center of the axis of revolution
+        z-coordinate of the center of the axis of revolution in [cm]
     a : float
-        Major radius of the torus
+        Major radius of the torus in [cm]
     b : float
-        Minor radius of the torus (parallel to axis of revolution)
+        Minor radius of the torus in [cm] (parallel to axis of revolution)
     c : float
-        Minor radius of the torus (perpendicular to axis of revolution)
+        Minor radius of the torus in [cm] (perpendicular to axis of revolution)
     kwargs : dict
         Keyword arguments passed to the :class:`Surface` constructor
 
     Attributes
     ----------
     x0 : float
-        x-coordinate of the center of the axis of revolution
+        x-coordinate of the center of the axis of revolution in [cm]
     y0 : float
-        y-coordinate of the center of the axis of revolution
+        y-coordinate of the center of the axis of revolution in [cm]
     z0 : float
-        z-coordinate of the center of the axis of revolution
+        z-coordinate of the center of the axis of revolution in [cm]
     a : float
-        Major radius of the torus
+        Major radius of the torus in [cm]
     b : float
-        Minor radius of the torus (parallel to axis of revolution)
+        Minor radius of the torus in [cm] (parallel to axis of revolution)
     c : float
-        Minor radius of the torus (perpendicular to axis of revolution)
+        Minor radius of the torus in [cm] (perpendicular to axis of revolution)
     boundary_type : {'transmission, 'vacuum', 'reflective', 'white'}
         Boundary condition that defines the behavior for particles hitting the
         surface.
@@ -2269,32 +2269,32 @@ class YTorus(TorusMixin, Surface):
     Parameters
     ----------
     x0 : float
-        x-coordinate of the center of the axis of revolution
+        x-coordinate of the center of the axis of revolution in [cm]
     y0 : float
-        y-coordinate of the center of the axis of revolution
+        y-coordinate of the center of the axis of revolution in [cm]
     z0 : float
-        z-coordinate of the center of the axis of revolution
+        z-coordinate of the center of the axis of revolution in [cm]
     a : float
-        Major radius of the torus
+        Major radius of the torus in [cm]
     b : float
-        Minor radius of the torus (parallel to axis of revolution)
+        Minor radius of the torus in [cm] (parallel to axis of revolution)
     c : float
-        Minor radius of the torus (perpendicular to axis of revolution)
+        Minor radius of the torus in [cm] (perpendicular to axis of revolution)
     kwargs : dict
         Keyword arguments passed to the :class:`Surface` constructor
 
     Attributes
     ----------
     x0 : float
-        x-coordinate of the center of the axis of revolution
+        x-coordinate of the center of the axis of revolution in [cm]
     y0 : float
-        y-coordinate of the center of the axis of revolution
+        y-coordinate of the center of the axis of revolution in [cm]
     z0 : float
-        z-coordinate of the center of the axis of revolution
+        z-coordinate of the center of the axis of revolution in [cm]
     a : float
-        Major radius of the torus
+        Major radius of the torus in [cm]
     b : float
-        Minor radius of the torus (parallel to axis of revolution)
+        Minor radius of the torus in [cm] (parallel to axis of revolution)
     c : float
         Minor radius of the torus (perpendicular to axis of revolution)
     boundary_type : {'transmission, 'vacuum', 'reflective', 'white'}
@@ -2340,34 +2340,34 @@ class ZTorus(TorusMixin, Surface):
     Parameters
     ----------
     x0 : float
-        x-coordinate of the center of the axis of revolution
+        x-coordinate of the center of the axis of revolution in [cm]
     y0 : float
-        y-coordinate of the center of the axis of revolution
+        y-coordinate of the center of the axis of revolution in [cm]
     z0 : float
-        z-coordinate of the center of the axis of revolution
+        z-coordinate of the center of the axis of revolution in [cm]
     a : float
-        Major radius of the torus
+        Major radius of the torus in [cm]
     b : float
-        Minor radius of the torus (parallel to axis of revolution)
+        Minor radius of the torus in [cm] (parallel to axis of revolution)
     c : float
-        Minor radius of the torus (perpendicular to axis of revolution)
+        Minor radius of the torus in [cm] (perpendicular to axis of revolution)
     kwargs : dict
         Keyword arguments passed to the :class:`Surface` constructor
 
     Attributes
     ----------
     x0 : float
-        x-coordinate of the center of the axis of revolution
+        x-coordinate of the center of the axis of revolution in [cm]
     y0 : float
-        y-coordinate of the center of the axis of revolution
+        y-coordinate of the center of the axis of revolution in [cm]
     z0 : float
-        z-coordinate of the center of the axis of revolution
+        z-coordinate of the center of the axis of revolution in [cm]
     a : float
-        Major radius of the torus
+        Major radius of the torus in [cm]
     b : float
-        Minor radius of the torus (parallel to axis of revolution)
+        Minor radius of the torus in [cm] (parallel to axis of revolution)
     c : float
-        Minor radius of the torus (perpendicular to axis of revolution)
+        Minor radius of the torus in [cm] (perpendicular to axis of revolution)
     boundary_type : {'transmission, 'vacuum', 'reflective', 'white'}
         Boundary condition that defines the behavior for particles hitting the
         surface.

From 66051251c00ebef8a873feab0bf3192b1724152e Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 24 May 2022 11:01:10 -0500
Subject: [PATCH 0320/2654] Fix method links in Material docstring

---
 openmc/material.py | 6 +++---
 1 file changed, 3 insertions(+), 3 deletions(-)

diff --git a/openmc/material.py b/openmc/material.py
index e5c3f8e4b..de1b2187b 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -29,9 +29,9 @@ class Material(IDManagerMixin):
 
     To create a material, one should create an instance of this class, add
     nuclides or elements with :meth:`Material.add_nuclide` or
-    `Material.add_element`, respectively, and set the total material density
-    with `Material.set_density()`. The material can then be assigned to a cell
-    using the :attr:`Cell.fill` attribute.
+    :meth:`Material.add_element`, respectively, and set the total material
+    density with :meth:`Material.set_density()`. The material can then be
+    assigned to a cell using the :attr:`Cell.fill` attribute.
 
     Parameters
     ----------

From 90126846f44d4d90aee0eb487af4f27e497a5174 Mon Sep 17 00:00:00 2001
From: Ethan Peterson <ethan.peterson@mit.edu>
Date: Wed, 16 Mar 2022 13:30:54 -0400
Subject: [PATCH 0321/2654] adding centroids and meshgrid methods

---
 openmc/mesh.py | 160 +++++++++++++++++++++++++++++++++++++++++++++++++
 1 file changed, 160 insertions(+)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 584ea81ce..76a527357 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -244,6 +244,70 @@ class RegularMesh(MeshBase):
             nx, = self.dimension
             return ((x,) for x in range(1, nx + 1))
 
+    @property
+    def meshgrid(self):
+        """Return coordinates of mesh vertices
+
+        Returns
+        -------
+        coordinates : numpy.ndarray or tuple of numpy.ndarray
+            Returns a numpy.ndarray for each dimension representing the mesh
+            vertex coordinates. Each array has an identical shape equal to
+            (nx + 1, ny + 1, nz + 1) where nx, ny, nz = dimension.
+
+        """
+        ndim = len(self._dimension)
+        if ndim == 3:
+            x0, y0, z0 = self.lower_left
+            x1, y1, z1 = self.upper_right
+            nx, ny, nz = self.dimension
+            xarr = np.linspace(x0, x1, nx + 1)
+            yarr = np.linspace(y0, y1, ny + 1)
+            zarr = np.linspace(z0, z1, nz + 1)
+            return np.meshgrid(xarr, yarr, zarr, indexing='ij')
+        elif ndim == 2:
+            x0, y0 = self.lower_left
+            x1, y1 = self.upper_right
+            nx, ny = self.dimension
+            xarr = np.linspace(x0, x1, nx + 1)
+            yarr = np.linspace(y0, y1, ny + 1)
+            return np.meshgrid(xarr, yarr, indexing='ij')
+        else:
+            nx, = self.dimension
+            x0, = self.lower_left
+            x1, = self.upper_right
+            return np.linspace(x0, x1, nx + 1)
+
+    @property
+    def centroids(self):
+        """Return coordinates of mesh element centroids
+
+        Returns
+        -------
+        coordinates : numpy.ndarray or tuple of numpy.ndarray
+            Returns a numpy.ndarray for each dimension representing the mesh
+            element centroid coordinates. Each array has an identical shape
+            equal to (nx, ny, nz) where nx, ny, nz = n_dimension.
+
+        """
+        ndim = len(self._dimension)
+        meshgrid = self.meshgrid
+        if ndim == 3:
+            xarr, yarr, zarr = meshgrid
+            xc = (xarr[:-1, :-1, :-1] + xarr[1:, 1:, 1:]) / 2
+            yc = (yarr[:-1, :-1, :-1] + yarr[1:, 1:, 1:]) / 2
+            zc = (zarr[:-1, :-1, :-1] + zarr[1:, 1:, 1:]) / 2
+            return xc, yc, zc
+        elif ndim == 2:
+            xarr, yarr = meshgrid
+            xc = (xarr[:-1, :-1] + xarr[1:, 1:]) / 2
+            yc = (yarr[:-1, :-1] + yarr[1:, 1:]) / 2
+            return xc, yc
+        else:
+            xarr = meshgrid
+            xc = (xarr[:-1] + xarr[1:]) / 2
+            return xc
+
     @dimension.setter
     def dimension(self, dimension):
         cv.check_type('mesh dimension', dimension, Iterable, Integral)
@@ -629,6 +693,38 @@ class RectilinearMesh(MeshBase):
                 for y in range(1, ny + 1)
                 for x in range(1, nx + 1))
 
+    @property
+    def meshgrid(self):
+        """Return coordinates of mesh vertices
+
+        Returns
+        -------
+        coordinates : 3-tuple of numpy.ndarray
+            Returns a numpy.ndarray for each dimension representing the mesh
+            vertex coordinates. Each array has an identical shape equal to
+            (nx + 1, ny + 1, nz + 1) where nx, ny, nz = dimension.
+
+        """
+        return np.meshgrid(self.x_grid, self.y_grid, self.z_grid, indexing='ij')
+
+    @property
+    def centroids(self):
+        """Return coordinates of mesh element centroids
+
+        Returns
+        -------
+        coordinates : 3-tuple of numpy.ndarray
+            Returns a numpy.ndarray for each dimension representing the mesh
+            element centroid coordinates. Each array has an identical shape
+            equal to (nx, ny, nz) where nx, ny, nz = n_dimension.
+
+        """
+        xx, yy, zz = self.meshgrid
+        xc = (xx[:-1, :-1, :-1] + xx[1:, 1:, 1:]) / 2
+        yc = (yy[:-1, :-1, :-1] + yy[1:, 1:, 1:]) / 2
+        zc = (zz[:-1, :-1, :-1] + zz[1:, 1:, 1:]) / 2
+        return xc, yc, zc
+
     @x_grid.setter
     def x_grid(self, grid):
         cv.check_type('mesh x_grid', grid, Iterable, Real)
@@ -799,6 +895,38 @@ class CylindricalMesh(MeshBase):
                 for p in range(1, np + 1)
                 for r in range(1, nr + 1))
 
+    @property
+    def meshgrid(self):
+        """Return coordinates of mesh vertices
+
+        Returns
+        -------
+        coordinates : 3-tuple of numpy.ndarray
+            Returns a numpy.ndarray for each dimension representing the mesh
+            vertex coordinates. Each array has an identical shape equal to
+            (nr + 1, nphi + 1, nz + 1) where nr, nphi, nz = dimension.
+
+        """
+        return np.meshgrid(self.r_grid, self.phi_grid, self.z_grid, indexing='ij')
+
+    @property
+    def centroids(self):
+        """Return coordinates of mesh element centroids
+
+        Returns
+        -------
+        coordinates : 3-tuple of numpy.ndarray
+            Returns a numpy.ndarray for each dimension representing the mesh
+            element centroid coordinates. Each array has an identical shape
+            equal to (nx, nphi, nz) where nx, nphi, nz = n_dimension.
+
+        """
+        rr, pp, zz = self.meshgrid
+        rc = (rr[:-1, :-1, :-1] + rr[1:, 1:, 1:]) / 2
+        pc = (pp[:-1, :-1, :-1] + pp[1:, 1:, 1:]) / 2
+        zc = (zz[:-1, :-1, :-1] + zz[1:, 1:, 1:]) / 2
+        return rc, pc, zc
+
     @r_grid.setter
     def r_grid(self, grid):
         cv.check_type('mesh r_grid', grid, Iterable, Real)
@@ -987,6 +1115,38 @@ class SphericalMesh(MeshBase):
                 for t in range(1, nt + 1)
                 for r in range(1, nr + 1))
 
+    @property
+    def meshgrid(self):
+        """Return coordinates of mesh vertices
+
+        Returns
+        -------
+        coordinates : 3-tuple of numpy.ndarray
+            Returns a numpy.ndarray for each dimension representing the mesh
+            vertex coordinates. Each array has an identical shape equal to
+            (nr + 1, ntheta + 1, nphi + 1) where nr, ntheta, nphi = dimension.
+
+        """
+        return np.meshgrid(self.r_grid, self.phi_grid, self.z_grid, indexing='ij')
+
+    @property
+    def centroids(self):
+        """Return coordinates of mesh element centroids
+
+        Returns
+        -------
+        coordinates : 3-tuple of numpy.ndarray
+            Returns a numpy.ndarray for each dimension representing the mesh
+            element centroid coordinates. Each array has an identical shape
+            equal to (nx, ntheta, nphi) where nx, ntheta, nphi = n_dimension.
+
+        """
+        rr, tt, pp = self.meshgrid
+        rc = (rr[:-1, :-1, :-1] + rr[1:, 1:, 1:]) / 2
+        tc = (tt[:-1, :-1, :-1] + tt[1:, 1:, 1:]) / 2
+        pc = (pp[:-1, :-1, :-1] + pp[1:, 1:, 1:]) / 2
+        return rc, tc, pc
+
     @r_grid.setter
     def r_grid(self, grid):
         cv.check_type('mesh r_grid', grid, Iterable, Real)

From a93751ce7bcc5589a1dfa1c187c50f9ce6451c42 Mon Sep 17 00:00:00 2001
From: Ethan Peterson <ethan.peterson@mit.edu>
Date: Thu, 17 Mar 2022 10:39:22 -0400
Subject: [PATCH 0322/2654] changing meshgrid to vertices

---
 openmc/mesh.py | 85 ++++++++++++++++++++++++++------------------------
 1 file changed, 44 insertions(+), 41 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 76a527357..056dd34ac 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -245,15 +245,16 @@ class RegularMesh(MeshBase):
             return ((x,) for x in range(1, nx + 1))
 
     @property
-    def meshgrid(self):
+    def vertices(self):
         """Return coordinates of mesh vertices
 
         Returns
         -------
-        coordinates : numpy.ndarray or tuple of numpy.ndarray
-            Returns a numpy.ndarray for each dimension representing the mesh
-            vertex coordinates. Each array has an identical shape equal to
-            (nx + 1, ny + 1, nz + 1) where nx, ny, nz = dimension.
+        vertices : numpy.ndarray
+            Returns a numpy.ndarray representing the coordinates of mesh
+            vertices with a shape equal to (nx + 1, ny + 1, nz + 1, 3)
+            where nx, ny, nz = dimension in 3D. For 2D the shape is
+            (nx + 1, ny + 1, 2), and for 1D the shape is (nx,).
 
         """
         ndim = len(self._dimension)
@@ -264,14 +265,16 @@ class RegularMesh(MeshBase):
             xarr = np.linspace(x0, x1, nx + 1)
             yarr = np.linspace(y0, y1, ny + 1)
             zarr = np.linspace(z0, z1, nz + 1)
-            return np.meshgrid(xarr, yarr, zarr, indexing='ij')
+            xx, yy, zz = np.meshgrid(xarr, yarr, zarr, indexing='ij')
+            return np.stack((xx, yy, zz), axis=-1)
         elif ndim == 2:
             x0, y0 = self.lower_left
             x1, y1 = self.upper_right
             nx, ny = self.dimension
             xarr = np.linspace(x0, x1, nx + 1)
             yarr = np.linspace(y0, y1, ny + 1)
-            return np.meshgrid(xarr, yarr, indexing='ij')
+            xx, yy = np.meshgrid(xarr, yarr, indexing='ij')
+            return np.stack((xx, yy), axis=-1)
         else:
             nx, = self.dimension
             x0, = self.lower_left
@@ -291,22 +294,13 @@ class RegularMesh(MeshBase):
 
         """
         ndim = len(self._dimension)
-        meshgrid = self.meshgrid
+        vertices = self.vertices
         if ndim == 3:
-            xarr, yarr, zarr = meshgrid
-            xc = (xarr[:-1, :-1, :-1] + xarr[1:, 1:, 1:]) / 2
-            yc = (yarr[:-1, :-1, :-1] + yarr[1:, 1:, 1:]) / 2
-            zc = (zarr[:-1, :-1, :-1] + zarr[1:, 1:, 1:]) / 2
-            return xc, yc, zc
+            return (vertices[:-1, :-1, :-1, :] + vertices[1:, 1:, 1:, :]) / 2
         elif ndim == 2:
-            xarr, yarr = meshgrid
-            xc = (xarr[:-1, :-1] + xarr[1:, 1:]) / 2
-            yc = (yarr[:-1, :-1] + yarr[1:, 1:]) / 2
-            return xc, yc
+            return (vertices[:-1, :-1, :] + vertices[1:, 1:, :]) / 2
         else:
-            xarr = meshgrid
-            xc = (xarr[:-1] + xarr[1:]) / 2
-            return xc
+            return (vertices[:-1] + vertices[1:]) / 2
 
     @dimension.setter
     def dimension(self, dimension):
@@ -694,18 +688,19 @@ class RectilinearMesh(MeshBase):
                 for x in range(1, nx + 1))
 
     @property
-    def meshgrid(self):
+    def vertices(self):
         """Return coordinates of mesh vertices
 
         Returns
         -------
-        coordinates : 3-tuple of numpy.ndarray
-            Returns a numpy.ndarray for each dimension representing the mesh
-            vertex coordinates. Each array has an identical shape equal to
-            (nx + 1, ny + 1, nz + 1) where nx, ny, nz = dimension.
+        vertices : numpy.ndarray
+            Returns a numpy.ndarray representing the coordinates of mesh
+            vertices with a shape equal to (nx + 1, ny + 1, nz + 1, 3)
+            where nx, ny, nz = dimension.
 
         """
-        return np.meshgrid(self.x_grid, self.y_grid, self.z_grid, indexing='ij')
+        xx, yy, zz = np.meshgrid(self.x_grid, self.y_grid, self.z_grid, indexing='ij')
+        return np.stack((xx, yy, zz), axis=-1)
 
     @property
     def centroids(self):
@@ -719,7 +714,7 @@ class RectilinearMesh(MeshBase):
             equal to (nx, ny, nz) where nx, ny, nz = n_dimension.
 
         """
-        xx, yy, zz = self.meshgrid
+        xx, yy, zz = self.vertices
         xc = (xx[:-1, :-1, :-1] + xx[1:, 1:, 1:]) / 2
         yc = (yy[:-1, :-1, :-1] + yy[1:, 1:, 1:]) / 2
         zc = (zz[:-1, :-1, :-1] + zz[1:, 1:, 1:]) / 2
@@ -885,6 +880,10 @@ class CylindricalMesh(MeshBase):
     def z_grid(self):
         return self._z_grid
 
+    @property
+    def grids(self):
+        return (self.r_grid, self.phi_grid, self.z_grid)
+
     @property
     def indices(self):
         nr, np, nz = self.dimension
@@ -896,18 +895,18 @@ class CylindricalMesh(MeshBase):
                 for r in range(1, nr + 1))
 
     @property
-    def meshgrid(self):
+    def vertices(self):
         """Return coordinates of mesh vertices
 
         Returns
         -------
-        coordinates : 3-tuple of numpy.ndarray
-            Returns a numpy.ndarray for each dimension representing the mesh
-            vertex coordinates. Each array has an identical shape equal to
-            (nr + 1, nphi + 1, nz + 1) where nr, nphi, nz = dimension.
+        vertices : numpy.ndarray
+            Returns a numpy.ndarray representing the coordinates of mesh
+            vertices with a shape equal to (nr + 1, nphi + 1, nz + 1, 3)
+            where nr, nphi, nz = dimension.
 
         """
-        return np.meshgrid(self.r_grid, self.phi_grid, self.z_grid, indexing='ij')
+        return np.stack(np.meshgrid(*self.grids, indexing='ij'), axis=-1)
 
     @property
     def centroids(self):
@@ -921,7 +920,7 @@ class CylindricalMesh(MeshBase):
             equal to (nx, nphi, nz) where nx, nphi, nz = n_dimension.
 
         """
-        rr, pp, zz = self.meshgrid
+        rr, pp, zz = self.vertices
         rc = (rr[:-1, :-1, :-1] + rr[1:, 1:, 1:]) / 2
         pc = (pp[:-1, :-1, :-1] + pp[1:, 1:, 1:]) / 2
         zc = (zz[:-1, :-1, :-1] + zz[1:, 1:, 1:]) / 2
@@ -1116,18 +1115,22 @@ class SphericalMesh(MeshBase):
                 for r in range(1, nr + 1))
 
     @property
-    def meshgrid(self):
+    def vertices(self):
         """Return coordinates of mesh vertices
 
         Returns
         -------
-        coordinates : 3-tuple of numpy.ndarray
-            Returns a numpy.ndarray for each dimension representing the mesh
-            vertex coordinates. Each array has an identical shape equal to
-            (nr + 1, ntheta + 1, nphi + 1) where nr, ntheta, nphi = dimension.
+        vertices : numpy.ndarray
+            Returns a numpy.ndarray representing the coordinates of mesh
+            vertices with a shape equal to (nr + 1, ntheta + 1, nphi + 1, 3)
+            where nr, ntheta, nphi = dimension.
 
         """
-        return np.meshgrid(self.r_grid, self.phi_grid, self.z_grid, indexing='ij')
+        rr, tt, pp = np.meshgrid(self.r_grid,
+                                 self.theta_grid,
+                                 self.phi_grid,
+                                 indexing='ij')
+        return np.stack((rr, tt, pp), axis=-1)
 
     @property
     def centroids(self):
@@ -1141,7 +1144,7 @@ class SphericalMesh(MeshBase):
             equal to (nx, ntheta, nphi) where nx, ntheta, nphi = n_dimension.
 
         """
-        rr, tt, pp = self.meshgrid
+        rr, tt, pp = self.vertices
         rc = (rr[:-1, :-1, :-1] + rr[1:, 1:, 1:]) / 2
         tc = (tt[:-1, :-1, :-1] + tt[1:, 1:, 1:]) / 2
         pc = (pp[:-1, :-1, :-1] + pp[1:, 1:, 1:]) / 2

From 6167ae84dc57e3263cca79233a7b886ffae83849 Mon Sep 17 00:00:00 2001
From: Ethan Peterson <ethan.peterson@mit.edu>
Date: Thu, 17 Mar 2022 13:55:29 -0400
Subject: [PATCH 0323/2654] trying to define a clearer interface

---
 openmc/mesh.py | 198 +++++++++++++++----------------------------------
 1 file changed, 58 insertions(+), 140 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 056dd34ac..d81afb725 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -45,6 +45,51 @@ class MeshBase(IDManagerMixin, ABC):
     def name(self):
         return self._name
 
+    @property
+    @abstractmethod
+    def dimension(self):
+        pass
+
+    @property
+    @abstractmethod
+    def n_dimension(self):
+        pass
+
+    @property
+    @abstractmethod
+    def _grids(self):
+        pass
+
+    @property
+    def vertices(self):
+        """Return coordinates of mesh vertices.
+
+        Returns
+        -------
+        vertices : numpy.ndarray
+            Returns a numpy.ndarray representing the coordinates of the mesh
+            vertices with a shape equal to (dim1 + 1, ..., dimn + 1, ndim).
+
+        """
+        return np.stack(np.meshgrid(*self._grids, indexing='ij'), axis=-1)
+
+    @property
+    def centroids(self):
+        """Return coordinates of mesh element centroids.
+
+        Returns
+        -------
+        centroids : numpy.ndarray
+            Returns a numpy.ndarray representing the mesh element centroid
+            coordinates with a shape equal to (dim1, ..., dimn, ndim).
+
+        """
+        ndim = len(self.dimension)
+        vertices = self.vertices
+        s0 = (slice(0, -1),)*ndim + (slice(None),)
+        s1 = (slice(1, None),)*ndim + (slice(None),)
+        return (vertices[s0] + vertices[s1]) / 2
+
     @name.setter
     def name(self, name):
         if name is not None:
@@ -245,18 +290,7 @@ class RegularMesh(MeshBase):
             return ((x,) for x in range(1, nx + 1))
 
     @property
-    def vertices(self):
-        """Return coordinates of mesh vertices
-
-        Returns
-        -------
-        vertices : numpy.ndarray
-            Returns a numpy.ndarray representing the coordinates of mesh
-            vertices with a shape equal to (nx + 1, ny + 1, nz + 1, 3)
-            where nx, ny, nz = dimension in 3D. For 2D the shape is
-            (nx + 1, ny + 1, 2), and for 1D the shape is (nx,).
-
-        """
+    def _grids(self):
         ndim = len(self._dimension)
         if ndim == 3:
             x0, y0, z0 = self.lower_left
@@ -265,42 +299,19 @@ class RegularMesh(MeshBase):
             xarr = np.linspace(x0, x1, nx + 1)
             yarr = np.linspace(y0, y1, ny + 1)
             zarr = np.linspace(z0, z1, nz + 1)
-            xx, yy, zz = np.meshgrid(xarr, yarr, zarr, indexing='ij')
-            return np.stack((xx, yy, zz), axis=-1)
+            return (xarr, yarr, zarr)
         elif ndim == 2:
             x0, y0 = self.lower_left
             x1, y1 = self.upper_right
             nx, ny = self.dimension
             xarr = np.linspace(x0, x1, nx + 1)
             yarr = np.linspace(y0, y1, ny + 1)
-            xx, yy = np.meshgrid(xarr, yarr, indexing='ij')
-            return np.stack((xx, yy), axis=-1)
+            return (xarr, yarr)
         else:
             nx, = self.dimension
             x0, = self.lower_left
             x1, = self.upper_right
-            return np.linspace(x0, x1, nx + 1)
-
-    @property
-    def centroids(self):
-        """Return coordinates of mesh element centroids
-
-        Returns
-        -------
-        coordinates : numpy.ndarray or tuple of numpy.ndarray
-            Returns a numpy.ndarray for each dimension representing the mesh
-            element centroid coordinates. Each array has an identical shape
-            equal to (nx, ny, nz) where nx, ny, nz = n_dimension.
-
-        """
-        ndim = len(self._dimension)
-        vertices = self.vertices
-        if ndim == 3:
-            return (vertices[:-1, :-1, :-1, :] + vertices[1:, 1:, 1:, :]) / 2
-        elif ndim == 2:
-            return (vertices[:-1, :-1, :] + vertices[1:, 1:, :]) / 2
-        else:
-            return (vertices[:-1] + vertices[1:]) / 2
+            return (np.linspace(x0, x1, nx + 1),)
 
     @dimension.setter
     def dimension(self, dimension):
@@ -656,6 +667,10 @@ class RectilinearMesh(MeshBase):
     def z_grid(self):
         return self._z_grid
 
+    @property
+    def _grids(self):
+        return (self.x_grid, self.y_grid, self.z_grid)
+
     @property
     def volumes(self):
         """Return Volumes for every mesh cell
@@ -687,39 +702,6 @@ class RectilinearMesh(MeshBase):
                 for y in range(1, ny + 1)
                 for x in range(1, nx + 1))
 
-    @property
-    def vertices(self):
-        """Return coordinates of mesh vertices
-
-        Returns
-        -------
-        vertices : numpy.ndarray
-            Returns a numpy.ndarray representing the coordinates of mesh
-            vertices with a shape equal to (nx + 1, ny + 1, nz + 1, 3)
-            where nx, ny, nz = dimension.
-
-        """
-        xx, yy, zz = np.meshgrid(self.x_grid, self.y_grid, self.z_grid, indexing='ij')
-        return np.stack((xx, yy, zz), axis=-1)
-
-    @property
-    def centroids(self):
-        """Return coordinates of mesh element centroids
-
-        Returns
-        -------
-        coordinates : 3-tuple of numpy.ndarray
-            Returns a numpy.ndarray for each dimension representing the mesh
-            element centroid coordinates. Each array has an identical shape
-            equal to (nx, ny, nz) where nx, ny, nz = n_dimension.
-
-        """
-        xx, yy, zz = self.vertices
-        xc = (xx[:-1, :-1, :-1] + xx[1:, 1:, 1:]) / 2
-        yc = (yy[:-1, :-1, :-1] + yy[1:, 1:, 1:]) / 2
-        zc = (zz[:-1, :-1, :-1] + zz[1:, 1:, 1:]) / 2
-        return xc, yc, zc
-
     @x_grid.setter
     def x_grid(self, grid):
         cv.check_type('mesh x_grid', grid, Iterable, Real)
@@ -881,7 +863,7 @@ class CylindricalMesh(MeshBase):
         return self._z_grid
 
     @property
-    def grids(self):
+    def _grids(self):
         return (self.r_grid, self.phi_grid, self.z_grid)
 
     @property
@@ -894,38 +876,6 @@ class CylindricalMesh(MeshBase):
                 for p in range(1, np + 1)
                 for r in range(1, nr + 1))
 
-    @property
-    def vertices(self):
-        """Return coordinates of mesh vertices
-
-        Returns
-        -------
-        vertices : numpy.ndarray
-            Returns a numpy.ndarray representing the coordinates of mesh
-            vertices with a shape equal to (nr + 1, nphi + 1, nz + 1, 3)
-            where nr, nphi, nz = dimension.
-
-        """
-        return np.stack(np.meshgrid(*self.grids, indexing='ij'), axis=-1)
-
-    @property
-    def centroids(self):
-        """Return coordinates of mesh element centroids
-
-        Returns
-        -------
-        coordinates : 3-tuple of numpy.ndarray
-            Returns a numpy.ndarray for each dimension representing the mesh
-            element centroid coordinates. Each array has an identical shape
-            equal to (nx, nphi, nz) where nx, nphi, nz = n_dimension.
-
-        """
-        rr, pp, zz = self.vertices
-        rc = (rr[:-1, :-1, :-1] + rr[1:, 1:, 1:]) / 2
-        pc = (pp[:-1, :-1, :-1] + pp[1:, 1:, 1:]) / 2
-        zc = (zz[:-1, :-1, :-1] + zz[1:, 1:, 1:]) / 2
-        return rc, pc, zc
-
     @r_grid.setter
     def r_grid(self, grid):
         cv.check_type('mesh r_grid', grid, Iterable, Real)
@@ -1104,6 +1054,10 @@ class SphericalMesh(MeshBase):
     def phi_grid(self):
         return self._phi_grid
 
+    @property
+    def _grids(self):
+        return (self.r_grid, self.theta_grid, self.phi_grid)
+
     @property
     def indices(self):
         nr, nt, np = self.dimension
@@ -1114,42 +1068,6 @@ class SphericalMesh(MeshBase):
                 for t in range(1, nt + 1)
                 for r in range(1, nr + 1))
 
-    @property
-    def vertices(self):
-        """Return coordinates of mesh vertices
-
-        Returns
-        -------
-        vertices : numpy.ndarray
-            Returns a numpy.ndarray representing the coordinates of mesh
-            vertices with a shape equal to (nr + 1, ntheta + 1, nphi + 1, 3)
-            where nr, ntheta, nphi = dimension.
-
-        """
-        rr, tt, pp = np.meshgrid(self.r_grid,
-                                 self.theta_grid,
-                                 self.phi_grid,
-                                 indexing='ij')
-        return np.stack((rr, tt, pp), axis=-1)
-
-    @property
-    def centroids(self):
-        """Return coordinates of mesh element centroids
-
-        Returns
-        -------
-        coordinates : 3-tuple of numpy.ndarray
-            Returns a numpy.ndarray for each dimension representing the mesh
-            element centroid coordinates. Each array has an identical shape
-            equal to (nx, ntheta, nphi) where nx, ntheta, nphi = n_dimension.
-
-        """
-        rr, tt, pp = self.vertices
-        rc = (rr[:-1, :-1, :-1] + rr[1:, 1:, 1:]) / 2
-        tc = (tt[:-1, :-1, :-1] + tt[1:, 1:, 1:]) / 2
-        pc = (pp[:-1, :-1, :-1] + pp[1:, 1:, 1:]) / 2
-        return rc, tc, pc
-
     @r_grid.setter
     def r_grid(self, grid):
         cv.check_type('mesh r_grid', grid, Iterable, Real)

From b5ed2b985f5142f985a04c152d707bb13d3f3f7b Mon Sep 17 00:00:00 2001
From: Ethan Peterson <ethan.peterson@mit.edu>
Date: Wed, 4 May 2022 13:47:40 -0400
Subject: [PATCH 0324/2654] cleaning up a few syntax things

---
 openmc/mesh.py | 27 +++++++++++++++++++++------
 1 file changed, 21 insertions(+), 6 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index d81afb725..c6fa7bb99 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -1,4 +1,4 @@
-from abc import ABC
+from abc import ABC, abstractmethod
 from collections.abc import Iterable
 from math import pi
 from numbers import Real, Integral
@@ -61,6 +61,7 @@ class MeshBase(IDManagerMixin, ABC):
         pass
 
     @property
+    @abstractmethod
     def vertices(self):
         """Return coordinates of mesh vertices.
 
@@ -74,6 +75,7 @@ class MeshBase(IDManagerMixin, ABC):
         return np.stack(np.meshgrid(*self._grids, indexing='ij'), axis=-1)
 
     @property
+    @abstractmethod
     def centroids(self):
         """Return coordinates of mesh element centroids.
 
@@ -84,7 +86,7 @@ class MeshBase(IDManagerMixin, ABC):
             coordinates with a shape equal to (dim1, ..., dimn, ndim).
 
         """
-        ndim = len(self.dimension)
+        ndim = self.n_dimension
         vertices = self.vertices
         s0 = (slice(0, -1),)*ndim + (slice(None),)
         s1 = (slice(1, None),)*ndim + (slice(None),)
@@ -105,7 +107,7 @@ class MeshBase(IDManagerMixin, ABC):
         return string
 
     def _volume_dim_check(self):
-        if len(self.dimension) != 3 or \
+        if self.n_dimension != 3 or \
            any([d == 0 for d in self.dimension]):
             raise RuntimeError(f'Mesh {self.id} is not 3D. '
                                'Volumes cannot be provided.')
@@ -509,7 +511,7 @@ class RegularMesh(MeshBase):
         for entry in bc:
             cv.check_value('bc', entry, _BOUNDARY_TYPES)
 
-        n_dim = len(self.dimension)
+        n_dim = self.n_dimension
 
         # Build the cell which will contain the lattice
         xplanes = [openmc.XPlane(self.lower_left[0], boundary_type=bc[0]),
@@ -1227,7 +1229,7 @@ class UnstructuredMesh(MeshBase):
         (1.0, 1.0, 1.0), ...]
     """
     def __init__(self, filename, library, mesh_id=None, name='',
-                        length_multiplier=1.0):
+                 length_multiplier=1.0):
         super().__init__(mesh_id, name)
         self.filename = filename
         self._volumes = None
@@ -1322,6 +1324,19 @@ class UnstructuredMesh(MeshBase):
                       Real)
         self._length_multiplier = length_multiplier
 
+    @property
+    def dimension(self):
+        return self.n_elements
+
+    @property
+    def n_dimension(self):
+        return 3
+
+    @property
+    def vertices(self):
+        raise NotImplementedError("Vertices for UnstructuredMesh objects are "
+                                  "not yet available")
+
     def __repr__(self):
         string = super().__repr__()
         string += '{: <16}=\t{}\n'.format('\tFilename', self.filename)
@@ -1452,7 +1467,7 @@ class UnstructuredMesh(MeshBase):
         subelement.text = self.filename
 
         if self._length_multiplier != 1.0:
-          element.set("length_multiplier", str(self.length_multiplier))
+            element.set("length_multiplier", str(self.length_multiplier))
 
         return element
 

From 606d9bf03eb967064e0c0235b486f4cca479c896 Mon Sep 17 00:00:00 2001
From: Ethan Peterson <ethan.peterson@mit.edu>
Date: Wed, 4 May 2022 14:04:15 -0400
Subject: [PATCH 0325/2654] fixed abstractmethod error

---
 openmc/mesh.py | 2 --
 1 file changed, 2 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index c6fa7bb99..491419778 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -61,7 +61,6 @@ class MeshBase(IDManagerMixin, ABC):
         pass
 
     @property
-    @abstractmethod
     def vertices(self):
         """Return coordinates of mesh vertices.
 
@@ -75,7 +74,6 @@ class MeshBase(IDManagerMixin, ABC):
         return np.stack(np.meshgrid(*self._grids, indexing='ij'), axis=-1)
 
     @property
-    @abstractmethod
     def centroids(self):
         """Return coordinates of mesh element centroids.
 

From 45cb513b15cc1ec3c4fb80104dfaca3853b53ac0 Mon Sep 17 00:00:00 2001
From: Ethan Peterson <ethan.peterson@mit.edu>
Date: Tue, 24 May 2022 16:08:42 -0400
Subject: [PATCH 0326/2654] adding ABC for structured mesh

---
 openmc/mesh.py | 116 +++++++++++++++++++++++++++++--------------------
 1 file changed, 70 insertions(+), 46 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 491419778..3ae5ee43d 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -45,51 +45,6 @@ class MeshBase(IDManagerMixin, ABC):
     def name(self):
         return self._name
 
-    @property
-    @abstractmethod
-    def dimension(self):
-        pass
-
-    @property
-    @abstractmethod
-    def n_dimension(self):
-        pass
-
-    @property
-    @abstractmethod
-    def _grids(self):
-        pass
-
-    @property
-    def vertices(self):
-        """Return coordinates of mesh vertices.
-
-        Returns
-        -------
-        vertices : numpy.ndarray
-            Returns a numpy.ndarray representing the coordinates of the mesh
-            vertices with a shape equal to (dim1 + 1, ..., dimn + 1, ndim).
-
-        """
-        return np.stack(np.meshgrid(*self._grids, indexing='ij'), axis=-1)
-
-    @property
-    def centroids(self):
-        """Return coordinates of mesh element centroids.
-
-        Returns
-        -------
-        centroids : numpy.ndarray
-            Returns a numpy.ndarray representing the mesh element centroid
-            coordinates with a shape equal to (dim1, ..., dimn, ndim).
-
-        """
-        ndim = self.n_dimension
-        vertices = self.vertices
-        s0 = (slice(0, -1),)*ndim + (slice(None),)
-        s1 = (slice(1, None),)*ndim + (slice(None),)
-        return (vertices[s0] + vertices[s1]) / 2
-
     @name.setter
     def name(self, name):
         if name is not None:
@@ -171,7 +126,76 @@ class MeshBase(IDManagerMixin, ABC):
             raise ValueError(f'Unrecognized mesh type "{mesh_type}" found.')
 
 
-class RegularMesh(MeshBase):
+class StructuredMesh(ABC):
+    """A mixin for structured mesh functionality
+
+    Parameters
+    ----------
+    mesh_id : int
+        Unique identifier for the mesh
+    name : str
+        Name of the mesh
+
+    Attributes
+    ----------
+    id : int
+        Unique identifier for the mesh
+    name : str
+        Name of the mesh
+
+    """
+
+    def __init__(self, **kwargs):
+        super().__init__(**kwargs)
+
+    @property
+    @abstractmethod
+    def dimension(self):
+        pass
+
+    @property
+    @abstractmethod
+    def n_dimension(self):
+        pass
+
+    @property
+    @abstractmethod
+    def _grids(self):
+        pass
+
+    @property
+    def vertices(self):
+        """Return coordinates of mesh vertices.
+
+        Returns
+        -------
+        vertices : numpy.ndarray
+            Returns a numpy.ndarray representing the coordinates of the mesh
+            vertices with a shape equal to (dim1 + 1, ..., dimn + 1, ndim).
+
+        """
+        return np.stack(np.meshgrid(*self._grids, indexing='ij'), axis=-1)
+
+    @property
+    def centroids(self):
+        """Return coordinates of mesh element centroids.
+
+        Returns
+        -------
+        centroids : numpy.ndarray
+            Returns a numpy.ndarray representing the mesh element centroid
+            coordinates with a shape equal to (dim1, ..., dimn, ndim).
+
+        """
+        ndim = self.n_dimension
+        vertices = self.vertices
+        s0 = (slice(0, -1),)*ndim + (slice(None),)
+        s1 = (slice(1, None),)*ndim + (slice(None),)
+        return (vertices[s0] + vertices[s1]) / 2
+
+
+
+class RegularMesh(StructuredMesh, MeshBase):
     """A regular Cartesian mesh in one, two, or three dimensions
 
     Parameters

From 86e44c4e4a60db49365b8958128fcabd7cc8ba12 Mon Sep 17 00:00:00 2001
From: helen-brooks <helen.brooks@ukaea.uk>
Date: Wed, 20 Apr 2022 10:55:15 +0100
Subject: [PATCH 0327/2654] Add regression test for new DAGUniverse constructor

---
 .../dagmc/external/__init__.py                |   0
 .../regression_tests/dagmc/external/dagmc.h5m |   1 +
 .../dagmc/external/inputs_true.dat            |  39 ++++++
 .../regression_tests/dagmc/external/main.cpp  |  80 +++++++++++
 .../dagmc/external/results_true.dat           |   5 +
 tests/regression_tests/dagmc/external/test.py | 127 ++++++++++++++++++
 6 files changed, 252 insertions(+)
 create mode 100644 tests/regression_tests/dagmc/external/__init__.py
 create mode 120000 tests/regression_tests/dagmc/external/dagmc.h5m
 create mode 100644 tests/regression_tests/dagmc/external/inputs_true.dat
 create mode 100644 tests/regression_tests/dagmc/external/main.cpp
 create mode 100644 tests/regression_tests/dagmc/external/results_true.dat
 create mode 100644 tests/regression_tests/dagmc/external/test.py

diff --git a/tests/regression_tests/dagmc/external/__init__.py b/tests/regression_tests/dagmc/external/__init__.py
new file mode 100644
index 000000000..e69de29bb
diff --git a/tests/regression_tests/dagmc/external/dagmc.h5m b/tests/regression_tests/dagmc/external/dagmc.h5m
new file mode 120000
index 000000000..92c41719c
--- /dev/null
+++ b/tests/regression_tests/dagmc/external/dagmc.h5m
@@ -0,0 +1 @@
+../legacy/dagmc.h5m
\ No newline at end of file
diff --git a/tests/regression_tests/dagmc/external/inputs_true.dat b/tests/regression_tests/dagmc/external/inputs_true.dat
new file mode 100644
index 000000000..2f5641046
--- /dev/null
+++ b/tests/regression_tests/dagmc/external/inputs_true.dat
@@ -0,0 +1,39 @@
+<?xml version='1.0' encoding='utf-8'?>
+<geometry>
+  <dagmc_universe filename="dagmc.h5m" id="1" />
+</geometry>
+<?xml version='1.0' encoding='utf-8'?>
+<materials>
+  <material depletable="true" id="40" name="no-void fuel">
+    <density units="g/cc" value="11" />
+    <nuclide ao="1.0" name="U235" />
+  </material>
+  <material id="41" name="water">
+    <density units="g/cc" value="1.0" />
+    <nuclide ao="2.0" name="H1" />
+    <nuclide ao="1.0" name="O16" />
+    <sab name="c_H_in_H2O" />
+  </material>
+</materials>
+<?xml version='1.0' encoding='utf-8'?>
+<settings>
+  <run_mode>eigenvalue</run_mode>
+  <particles>100</particles>
+  <batches>5</batches>
+  <inactive>0</inactive>
+  <source strength="1.0">
+    <space type="box">
+      <parameters>-4 -4 -4 4 4 4</parameters>
+    </space>
+  </source>
+</settings>
+<?xml version='1.0' encoding='utf-8'?>
+<tallies>
+  <filter id="1" type="cell">
+    <bins>1</bins>
+  </filter>
+  <tally id="1">
+    <filters>1</filters>
+    <scores>total</scores>
+  </tally>
+</tallies>
diff --git a/tests/regression_tests/dagmc/external/main.cpp b/tests/regression_tests/dagmc/external/main.cpp
new file mode 100644
index 000000000..87b1fcc8c
--- /dev/null
+++ b/tests/regression_tests/dagmc/external/main.cpp
@@ -0,0 +1,80 @@
+#include "openmc/capi.h"
+#include "openmc/cross_sections.h"
+#include "openmc/dagmc.h"
+#include "openmc/error.h"
+#include "openmc/geometry.h"
+#include "openmc/geometry_aux.h"
+#include "openmc/nuclide.h"
+#include <iostream>
+
+int main(int argc, char* argv[])
+{
+  using namespace openmc;
+  int openmc_err;
+
+  // Initialise OpenMC
+  openmc_err = openmc_init(argc, argv, nullptr);
+  if (openmc_err == -1) {
+    // This happens for the -h and -v flags
+    return EXIT_SUCCESS;
+  } else if (openmc_err) {
+    fatal_error(openmc_err_msg);
+  }
+
+  // Create DAGMC ptr
+  std::string filename = "dagmc.h5m";
+  std::shared_ptr<moab::DagMC> dag_ptr = std::make_shared<moab::DagMC>();
+  moab::ErrorCode rval = dag_ptr->load_file(filename.c_str());
+  if (rval != moab::MB_SUCCESS) {
+    fatal_error("Failed to load file");
+  }
+
+  // Initialize acceleration data structures
+  rval = dag_ptr->init_OBBTree();
+  if (rval != moab::MB_SUCCESS) {
+    fatal_error("Failed to initialise OBB tree");
+  }
+
+  // Get rid of existing geometry
+  std::unordered_map<std::string, int> nuclide_map_copy =
+    openmc::data::nuclide_map;
+  openmc::data::nuclides.clear();
+  openmc::data::nuclide_map = nuclide_map_copy;
+  openmc::model::surfaces.clear();
+  openmc::model::surface_map.clear();
+  openmc::model::cells.clear();
+  openmc::model::cell_map.clear();
+  openmc::model::universes.clear();
+  openmc::model::universe_map.clear();
+
+  // Create new DAGMC universe
+  openmc::model::universes.push_back(
+    std::make_unique<openmc::DAGUniverse>(dag_ptr, ""));
+  model::universe_map[model::universes.back()->id_] =
+    model::universes.size() - 1;
+
+  // Add cells to universes
+  openmc::populate_universes();
+
+  // Set root universe
+  openmc::model::root_universe = openmc::find_root_universe();
+  openmc::check_dagmc_root_univ();
+
+  // Final geometry setup and assign temperatures
+  openmc::finalize_geometry();
+
+  // Finalize cross sections having assigned temperatures
+  openmc::finalize_cross_sections();
+
+  // Run OpenMC
+  openmc_err = openmc_run();
+  if (openmc_err)
+    fatal_error(openmc_err_msg);
+
+  // Deallocate memory
+  openmc_err = openmc_finalize();
+  if (openmc_err)
+    fatal_error(openmc_err_msg);
+
+  return EXIT_SUCCESS;
+}
diff --git a/tests/regression_tests/dagmc/external/results_true.dat b/tests/regression_tests/dagmc/external/results_true.dat
new file mode 100644
index 000000000..e5127c827
--- /dev/null
+++ b/tests/regression_tests/dagmc/external/results_true.dat
@@ -0,0 +1,5 @@
+k-combined:
+8.426936E-01 5.715847E-02
+tally 1:
+8.093843E+00
+1.328829E+01
diff --git a/tests/regression_tests/dagmc/external/test.py b/tests/regression_tests/dagmc/external/test.py
new file mode 100644
index 000000000..c31d81440
--- /dev/null
+++ b/tests/regression_tests/dagmc/external/test.py
@@ -0,0 +1,127 @@
+from pathlib import Path
+import os
+import shutil
+import subprocess
+from subprocess import CalledProcessError
+import textwrap
+import glob
+from itertools import product
+
+import openmc
+import openmc.lib
+import numpy as np
+import pytest
+
+from tests.regression_tests import config
+from tests.testing_harness import PyAPITestHarness
+
+pytestmark = pytest.mark.skipif(
+    not openmc.lib._dagmc_enabled(),
+    reason="DAGMC is not enabled.")
+
+TETS_PER_VOXEL = 12
+
+# Test that an external DAGMC instance can be passed in through the C API
+
+@pytest.fixture
+def cpp_driver(request):
+    """Compile the external source"""
+
+    # Get build directory and write CMakeLists.txt file
+    openmc_dir = Path(str(request.config.rootdir)) / 'build'
+    with open('CMakeLists.txt', 'w') as f:
+        f.write(textwrap.dedent("""
+            cmake_minimum_required(VERSION 3.3 FATAL_ERROR)
+            project(openmc_cpp_driver CXX)
+            add_executable(main main.cpp)
+            find_package(OpenMC REQUIRED HINTS {})
+            target_link_libraries(main OpenMC::libopenmc)
+            set_target_properties(main PROPERTIES CXX_STANDARD
+            14 CXX_STANDARD_REQUIRED YES CXX_EXTENSIONS NO)
+            set(CMAKE_CXX_FLAGS "-pedantic-errors")
+            add_compile_definitions(DAGMC=1)
+            """.format(openmc_dir)))
+
+    # Create temporary build directory and change to there
+    local_builddir = Path('build')
+    local_builddir.mkdir(exist_ok=True)
+    os.chdir(str(local_builddir))
+
+    if config['mpi']:
+        os.environ['CXX'] = 'mpicxx'
+
+    try:
+        print("Building driver")
+        # Run cmake/make to build the shared libary
+        subprocess.run(['cmake', os.path.pardir], check=True)
+        subprocess.run(['make'], check=True)
+        os.chdir(os.path.pardir)
+
+        yield "./build/main"
+
+    finally:
+        # Remove local build directory when test is complete
+        shutil.rmtree('build')
+        os.remove('CMakeLists.txt')
+
+@pytest.fixture    
+def model():
+    model = openmc.model.Model()
+
+    # Settings
+    model.settings.batches = 5
+    model.settings.inactive = 0
+    model.settings.particles = 100
+    source_box = openmc.stats.Box([-4, -4, -4],
+                                  [ 4,  4,  4])
+    source = openmc.Source(space=source_box)
+    model.settings.source = source
+    #model.settings.dagmc = True
+
+    # Geometry
+    dag_univ = openmc.DAGMCUniverse("dagmc.h5m")
+    model.geometry = openmc.Geometry(dag_univ)
+
+    # Tallies
+    tally = openmc.Tally()
+    tally.scores = ['total']
+    tally.filters = [openmc.CellFilter(1)]
+    model.tallies = [tally]
+
+    # Materials
+    u235 = openmc.Material(name="no-void fuel")
+    u235.add_nuclide('U235', 1.0, 'ao')
+    u235.set_density('g/cc', 11)
+    u235.id = 40
+    water = openmc.Material(name="water")
+    water.add_nuclide('H1', 2.0, 'ao')
+    water.add_nuclide('O16', 1.0, 'ao')
+    water.set_density('g/cc', 1.0)
+    water.add_s_alpha_beta('c_H_in_H2O')
+    water.id = 41
+    mats = openmc.Materials([u235, water])
+    model.materials = mats
+
+    return model
+    
+class ExternalDAGMCTest(PyAPITestHarness):
+    def __init__(self, executable, statepoint_name, model):
+        super().__init__(statepoint_name, model)
+        self.executable = executable
+
+    def _run_openmc(self):
+        if config['update']:
+            # Generate the results file with internal python API
+            openmc.run(openmc_exec=config['exe'], event_based=config['event'])
+        elif config['mpi']:
+            mpi_args = [config['mpiexec'], '-n', config['mpi_np']]
+            openmc.run(openmc_exec=self.executable,
+                       mpi_args=mpi_args,
+                       event_based=config['event'])
+        else:
+            openmc.run(openmc_exec=self.executable,
+                       event_based=config['event'])
+
+def test_external_dagmc(cpp_driver, model):
+    harness = ExternalDAGMCTest(cpp_driver,'statepoint.5.h5',model)
+    harness.main()

From c35b710a1560857fe24c0ec5418f8aef1c1152f5 Mon Sep 17 00:00:00 2001
From: helen-brooks <helen.brooks@ukaea.uk>
Date: Wed, 20 Apr 2022 14:35:51 +0100
Subject: [PATCH 0328/2654] Update external dagmc regression test to include an
 update of material temperatures

---
 tests/regression_tests/dagmc/external/inputs_true.dat | 1 +
 tests/regression_tests/dagmc/external/main.cpp        | 9 +++++++++
 tests/regression_tests/dagmc/external/test.py         | 6 +++---
 3 files changed, 13 insertions(+), 3 deletions(-)

diff --git a/tests/regression_tests/dagmc/external/inputs_true.dat b/tests/regression_tests/dagmc/external/inputs_true.dat
index 2f5641046..dd75bbdbd 100644
--- a/tests/regression_tests/dagmc/external/inputs_true.dat
+++ b/tests/regression_tests/dagmc/external/inputs_true.dat
@@ -26,6 +26,7 @@
       <parameters>-4 -4 -4 4 4 4</parameters>
     </space>
   </source>
+  <temperature_default>293</temperature_default>
 </settings>
 <?xml version='1.0' encoding='utf-8'?>
 <tallies>
diff --git a/tests/regression_tests/dagmc/external/main.cpp b/tests/regression_tests/dagmc/external/main.cpp
index 87b1fcc8c..6d9c97f59 100644
--- a/tests/regression_tests/dagmc/external/main.cpp
+++ b/tests/regression_tests/dagmc/external/main.cpp
@@ -4,6 +4,7 @@
 #include "openmc/error.h"
 #include "openmc/geometry.h"
 #include "openmc/geometry_aux.h"
+#include "openmc/material.h"
 #include "openmc/nuclide.h"
 #include <iostream>
 
@@ -66,6 +67,14 @@ int main(int argc, char* argv[])
   // Finalize cross sections having assigned temperatures
   openmc::finalize_cross_sections();
 
+  // Check that we correctly assigned cell temperatures with non-void fill
+  for (auto& cell_ptr : openmc::model::cells) {
+    if (cell_ptr->material_.front() != openmc::C_NONE &&
+        cell_ptr->temperature() != 300) {
+      fatal_error("Failed to set cell temperature");
+    }
+  }
+
   // Run OpenMC
   openmc_err = openmc_run();
   if (openmc_err)
diff --git a/tests/regression_tests/dagmc/external/test.py b/tests/regression_tests/dagmc/external/test.py
index c31d81440..a9fa9e3ee 100644
--- a/tests/regression_tests/dagmc/external/test.py
+++ b/tests/regression_tests/dagmc/external/test.py
@@ -64,7 +64,7 @@ def cpp_driver(request):
         shutil.rmtree('build')
         os.remove('CMakeLists.txt')
 
-@pytest.fixture    
+@pytest.fixture
 def model():
     model = openmc.model.Model()
 
@@ -76,7 +76,7 @@ def model():
                                   [ 4,  4,  4])
     source = openmc.Source(space=source_box)
     model.settings.source = source
-    #model.settings.dagmc = True
+    model.settings.temperature['default'] = 293
 
     # Geometry
     dag_univ = openmc.DAGMCUniverse("dagmc.h5m")
@@ -103,7 +103,7 @@ def model():
     model.materials = mats
 
     return model
-    
+
 class ExternalDAGMCTest(PyAPITestHarness):
     def __init__(self, executable, statepoint_name, model):
         super().__init__(statepoint_name, model)

From 751e92f63b79e3c2027be4e31469337c3192e336 Mon Sep 17 00:00:00 2001
From: helen-brooks <helen.brooks@ukaea.uk>
Date: Wed, 20 Apr 2022 15:48:39 +0100
Subject: [PATCH 0329/2654] Run clang-format

---
 include/openmc/dagmc.h | 17 ++++++++---------
 src/dagmc.cpp          | 27 +++++++++++++++------------
 2 files changed, 23 insertions(+), 21 deletions(-)

diff --git a/include/openmc/dagmc.h b/include/openmc/dagmc.h
index 2fa0919e5..f50133105 100644
--- a/include/openmc/dagmc.h
+++ b/include/openmc/dagmc.h
@@ -90,9 +90,8 @@ public:
 
   //! Alternative DAGMC universe constructor for external DAGMC
   explicit DAGUniverse(std::shared_ptr<moab::DagMC> external_dagmc_ptr,
-                       const std::string& filename,
-                       bool auto_geom_ids = false,
-                       bool auto_mat_ids = false);
+    const std::string& filename, bool auto_geom_ids = false,
+    bool auto_mat_ids = false);
 
   //! Initialize the DAGMC accel. data structures, indices, material
   //! assignments, etc.
@@ -146,17 +145,17 @@ public:
   bool has_graveyard() const { return has_graveyard_; }
 
 private:
-  void set_id();             //!< Deduce the universe id from model::universes
-  void init_dagmc();         //!< Create and initialise DAGMC pointer
-  void init_metadata();      //!< Create and initialise dagmcMetaData pointer
-  void init_geometry();      //!< Create cells and surfaces from DAGMC entities
+  void set_id();        //!< Deduce the universe id from model::universes
+  void init_dagmc();    //!< Create and initialise DAGMC pointer
+  void init_metadata(); //!< Create and initialise dagmcMetaData pointer
+  void init_geometry(); //!< Create cells and surfaces from DAGMC entities
 
   std::string
     filename_; //!< Name of the DAGMC file used to create this universe
   std::shared_ptr<UWUW>
-    uwuw_;                   //!< Pointer to the UWUW instance for this universe
+    uwuw_; //!< Pointer to the UWUW instance for this universe
   std::unique_ptr<dagmcMetaData> dmd_ptr; //! Pointer to DAGMC metadata object
-  bool uwuw_disabled;        //!< Switch to disable UWUW materials
+  bool uwuw_disabled;                     //!< Switch to disable UWUW materials
   bool adjust_geometry_ids_; //!< Indicates whether or not to automatically
                              //!< generate new cell and surface IDs for the
                              //!< universe
diff --git a/src/dagmc.cpp b/src/dagmc.cpp
index 2d0bab86e..2154db363 100644
--- a/src/dagmc.cpp
+++ b/src/dagmc.cpp
@@ -77,10 +77,9 @@ DAGUniverse::DAGUniverse(
 }
 
 DAGUniverse::DAGUniverse(std::shared_ptr<moab::DagMC> external_dagmc_ptr,
-                         const std::string& filename,
-                         bool auto_geom_ids, bool auto_mat_ids)
+  const std::string& filename, bool auto_geom_ids, bool auto_mat_ids)
   : dagmc_instance_(external_dagmc_ptr), filename_(filename),
-      adjust_geometry_ids_(auto_geom_ids), adjust_material_ids_(auto_mat_ids)
+    adjust_geometry_ids_(auto_geom_ids), adjust_material_ids_(auto_mat_ids)
 {
   set_id();
   init_metadata();
@@ -137,7 +136,8 @@ void DAGUniverse::init_dagmc()
 void DAGUniverse::init_metadata()
 {
   // parse model metadata
-  dmd_ptr = std::make_unique<dagmcMetaData>(dagmc_instance_.get(), false, false);
+  dmd_ptr =
+    std::make_unique<dagmcMetaData>(dagmc_instance_.get(), false, false);
   dmd_ptr->load_property_data();
 
   std::vector<std::string> keywords {"temp"};
@@ -206,7 +206,8 @@ void DAGUniverse::init_geometry()
     } else {
       if (uses_uwuw()) {
         // lookup material in uwuw if present
-        std::string uwuw_mat = dmd_ptr->volume_material_property_data_eh[vol_handle];
+        std::string uwuw_mat =
+          dmd_ptr->volume_material_property_data_eh[vol_handle];
         if (uwuw_->material_library.count(uwuw_mat) != 0) {
           // Note: material numbers are set by UWUW
           int mat_number = uwuw_->material_library.get_material(uwuw_mat)
@@ -276,7 +277,8 @@ void DAGUniverse::init_geometry()
                                   : dagmc_instance_->id_by_index(2, i + 1);
 
     // set BCs
-    std::string bc_value = dmd_ptr->get_surface_property("boundary", surf_handle);
+    std::string bc_value =
+      dmd_ptr->get_surface_property("boundary", surf_handle);
     to_lower(bc_value);
     if (bc_value.empty() || bc_value == "transmit" ||
         bc_value == "transmission") {
@@ -320,10 +322,8 @@ void DAGUniverse::init_geometry()
 
     model::surfaces.emplace_back(std::move(s));
   } // end surface loop
-
 }
 
-
 std::string DAGUniverse::dagmc_ids_for_dim(int dim) const
 {
   // generate a vector of ids
@@ -417,8 +417,10 @@ void DAGUniverse::to_hdf5(hid_t universes_group) const
 
 bool DAGUniverse::uses_uwuw() const
 {
-  if (uwuw_disabled) return false;
-  else return !uwuw_->material_library.empty();
+  if (uwuw_disabled)
+    return false;
+  else
+    return !uwuw_->material_library.empty();
 }
 
 std::string DAGUniverse::get_uwuw_materials_xml() const
@@ -508,9 +510,10 @@ void DAGUniverse::legacy_assign_material(
 void DAGUniverse::read_uwuw_materials()
 {
   // If no filename was provided, disable read UWUW materials
-  uwuw_disabled = (filename_=="");
+  uwuw_disabled = (filename_ == "");
 
-  if (uwuw_disabled) return;
+  if (uwuw_disabled)
+    return;
   uwuw_ = std::make_shared<UWUW>(filename_.c_str());
 
   if (!uses_uwuw())

From 116c7c33c070ce27156efefaf01aff7a9e405390 Mon Sep 17 00:00:00 2001
From: helen-brooks <67463845+helen-brooks@users.noreply.github.com>
Date: Wed, 25 May 2022 09:39:34 +0100
Subject: [PATCH 0330/2654] Apply suggestions from paulromano review

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 tests/regression_tests/dagmc/external/test.py | 19 +++++--------------
 1 file changed, 5 insertions(+), 14 deletions(-)

diff --git a/tests/regression_tests/dagmc/external/test.py b/tests/regression_tests/dagmc/external/test.py
index a9fa9e3ee..938e262ff 100644
--- a/tests/regression_tests/dagmc/external/test.py
+++ b/tests/regression_tests/dagmc/external/test.py
@@ -2,14 +2,10 @@ from pathlib import Path
 import os
 import shutil
 import subprocess
-from subprocess import CalledProcessError
 import textwrap
-import glob
-from itertools import product
 
 import openmc
 import openmc.lib
-import numpy as np
 import pytest
 
 from tests.regression_tests import config
@@ -19,8 +15,6 @@ pytestmark = pytest.mark.skipif(
     not openmc.lib._dagmc_enabled(),
     reason="DAGMC is not enabled.")
 
-TETS_PER_VOXEL = 12
-
 # Test that an external DAGMC instance can be passed in through the C API
 
 @pytest.fixture
@@ -36,8 +30,7 @@ def cpp_driver(request):
             add_executable(main main.cpp)
             find_package(OpenMC REQUIRED HINTS {})
             target_link_libraries(main OpenMC::libopenmc)
-            set_target_properties(main PROPERTIES CXX_STANDARD
-            14 CXX_STANDARD_REQUIRED YES CXX_EXTENSIONS NO)
+            target_compile_features(main PUBLIC cxx_std_14)
             set(CMAKE_CXX_FLAGS "-pedantic-errors")
             add_compile_definitions(DAGMC=1)
             """.format(openmc_dir)))
@@ -45,15 +38,13 @@ def cpp_driver(request):
     # Create temporary build directory and change to there
     local_builddir = Path('build')
     local_builddir.mkdir(exist_ok=True)
-    os.chdir(str(local_builddir))
+    os.chdir(local_builddir)
 
-    if config['mpi']:
-        os.environ['CXX'] = 'mpicxx'
+    mpi_arg = "On" if config['mpi'] else "Off"
 
     try:
-        print("Building driver")
         # Run cmake/make to build the shared libary
-        subprocess.run(['cmake', os.path.pardir], check=True)
+        subprocess.run(['cmake', os.path.pardir, f'-DOPENMC_USE_MPI={mpi_arg}'], check=True)
         subprocess.run(['make'], check=True)
         os.chdir(os.path.pardir)
 
@@ -123,5 +114,5 @@ class ExternalDAGMCTest(PyAPITestHarness):
                        event_based=config['event'])
 
 def test_external_dagmc(cpp_driver, model):
-    harness = ExternalDAGMCTest(cpp_driver,'statepoint.5.h5',model)
+    harness = ExternalDAGMCTest(cpp_driver, 'statepoint.5.h5', model)
     harness.main()

From d9498216dd12c26c5f873453aa4efdb9408e9fe9 Mon Sep 17 00:00:00 2001
From: helen-brooks <67463845+helen-brooks@users.noreply.github.com>
Date: Wed, 25 May 2022 10:36:40 +0100
Subject: [PATCH 0331/2654] Apply minor changes from pshriwise code review

Co-authored-by: Patrick Shriwise <pshriwise@gmail.com>
---
 include/openmc/dagmc.h | 2 +-
 src/dagmc.cpp          | 5 ++---
 2 files changed, 3 insertions(+), 4 deletions(-)

diff --git a/include/openmc/dagmc.h b/include/openmc/dagmc.h
index f50133105..0a74928b8 100644
--- a/include/openmc/dagmc.h
+++ b/include/openmc/dagmc.h
@@ -88,7 +88,7 @@ public:
   explicit DAGUniverse(const std::string& filename, bool auto_geom_ids = false,
     bool auto_mat_ids = false);
 
-  //! Alternative DAGMC universe constructor for external DAGMC
+  //! Alternative DAGMC universe constructor for external DAGMC instance
   explicit DAGUniverse(std::shared_ptr<moab::DagMC> external_dagmc_ptr,
     const std::string& filename, bool auto_geom_ids = false,
     bool auto_mat_ids = false);
diff --git a/src/dagmc.cpp b/src/dagmc.cpp
index 2154db363..887669031 100644
--- a/src/dagmc.cpp
+++ b/src/dagmc.cpp
@@ -72,13 +72,12 @@ DAGUniverse::DAGUniverse(
     adjust_material_ids_(auto_mat_ids)
 {
   set_id();
-
   initialize();
 }
 
-DAGUniverse::DAGUniverse(std::shared_ptr<moab::DagMC> external_dagmc_ptr,
+DAGUniverse::DAGUniverse(std::shared_ptr<moab::DagMC> dagmc_ptr,
   const std::string& filename, bool auto_geom_ids, bool auto_mat_ids)
-  : dagmc_instance_(external_dagmc_ptr), filename_(filename),
+  : dagmc_instance_(dagmc_ptr), filename_(filename),
     adjust_geometry_ids_(auto_geom_ids), adjust_material_ids_(auto_mat_ids)
 {
   set_id();

From 8bf7de39ca64eadca38d2a6769e552307e8868d1 Mon Sep 17 00:00:00 2001
From: helen-brooks <helen.brooks@ukaea.uk>
Date: Wed, 25 May 2022 10:47:37 +0100
Subject: [PATCH 0332/2654] Add empty string default argument for external
 DAGMC Universe constructor

---
 include/openmc/dagmc.h                         | 2 +-
 tests/regression_tests/dagmc/external/main.cpp | 2 +-
 2 files changed, 2 insertions(+), 2 deletions(-)

diff --git a/include/openmc/dagmc.h b/include/openmc/dagmc.h
index 0a74928b8..5bf264b43 100644
--- a/include/openmc/dagmc.h
+++ b/include/openmc/dagmc.h
@@ -90,7 +90,7 @@ public:
 
   //! Alternative DAGMC universe constructor for external DAGMC instance
   explicit DAGUniverse(std::shared_ptr<moab::DagMC> external_dagmc_ptr,
-    const std::string& filename, bool auto_geom_ids = false,
+    const std::string& filename = "", bool auto_geom_ids = false,
     bool auto_mat_ids = false);
 
   //! Initialize the DAGMC accel. data structures, indices, material
diff --git a/tests/regression_tests/dagmc/external/main.cpp b/tests/regression_tests/dagmc/external/main.cpp
index 6d9c97f59..9f5c1ceeb 100644
--- a/tests/regression_tests/dagmc/external/main.cpp
+++ b/tests/regression_tests/dagmc/external/main.cpp
@@ -50,7 +50,7 @@ int main(int argc, char* argv[])
 
   // Create new DAGMC universe
   openmc::model::universes.push_back(
-    std::make_unique<openmc::DAGUniverse>(dag_ptr, ""));
+    std::make_unique<openmc::DAGUniverse>(dag_ptr));
   model::universe_map[model::universes.back()->id_] =
     model::universes.size() - 1;
 

From 4d52218178fc8310e9da2891fda662649254de4c Mon Sep 17 00:00:00 2001
From: helen-brooks <helen.brooks@ukaea.uk>
Date: Wed, 25 May 2022 13:17:14 +0100
Subject: [PATCH 0333/2654] Remove redundant uwuw_disabled boolean member in
 DAGUniverse

---
 include/openmc/dagmc.h |  1 -
 src/dagmc.cpp          | 12 ++++--------
 2 files changed, 4 insertions(+), 9 deletions(-)

diff --git a/include/openmc/dagmc.h b/include/openmc/dagmc.h
index 5bf264b43..993076347 100644
--- a/include/openmc/dagmc.h
+++ b/include/openmc/dagmc.h
@@ -155,7 +155,6 @@ private:
   std::shared_ptr<UWUW>
     uwuw_; //!< Pointer to the UWUW instance for this universe
   std::unique_ptr<dagmcMetaData> dmd_ptr; //! Pointer to DAGMC metadata object
-  bool uwuw_disabled;                     //!< Switch to disable UWUW materials
   bool adjust_geometry_ids_; //!< Indicates whether or not to automatically
                              //!< generate new cell and surface IDs for the
                              //!< universe
diff --git a/src/dagmc.cpp b/src/dagmc.cpp
index 887669031..bb88f6488 100644
--- a/src/dagmc.cpp
+++ b/src/dagmc.cpp
@@ -416,10 +416,7 @@ void DAGUniverse::to_hdf5(hid_t universes_group) const
 
 bool DAGUniverse::uses_uwuw() const
 {
-  if (uwuw_disabled)
-    return false;
-  else
-    return !uwuw_->material_library.empty();
+  return uwuw_ && !uwuw_->material_library.empty();
 }
 
 std::string DAGUniverse::get_uwuw_materials_xml() const
@@ -508,11 +505,10 @@ void DAGUniverse::legacy_assign_material(
 
 void DAGUniverse::read_uwuw_materials()
 {
-  // If no filename was provided, disable read UWUW materials
-  uwuw_disabled = (filename_ == "");
-
-  if (uwuw_disabled)
+  // If no filename was provided, don't read UWUW materials
+  if (filename_ == "")
     return;
+
   uwuw_ = std::make_shared<UWUW>(filename_.c_str());
 
   if (!uses_uwuw())

From 687d43b0ab6e3e3ddfe867767c210f0a1cfb38a7 Mon Sep 17 00:00:00 2001
From: Patrick Myers <pmyers@anl.gov>
Date: Wed, 25 May 2022 09:06:53 -0500
Subject: [PATCH 0334/2654] added external xtensor within PhotonInteraction for
 all shell photoelectric xs to utilize contiguous memory in calculate_xs

---
 include/openmc/photon.h |  2 +-
 src/photon.cpp          | 26 +++++++++++---------------
 src/physics.cpp         |  6 +++---
 3 files changed, 15 insertions(+), 19 deletions(-)

diff --git a/include/openmc/photon.h b/include/openmc/photon.h
index e8ec82d10..50ee228c4 100644
--- a/include/openmc/photon.h
+++ b/include/openmc/photon.h
@@ -36,7 +36,6 @@ public:
   int threshold;
   double n_electrons;
   double binding_energy;
-  xt::xtensor<double, 1> cross_section;
   vector<Transition> transitions;
 };
 
@@ -82,6 +81,7 @@ public:
 
   // Photoionization and atomic relaxation data
   vector<ElectronSubshell> shells_;
+  xt::xtensor<double, 2> cross_sections_;
 
   // Compton profile data
   xt::xtensor<double, 2> profile_pdf_;
diff --git a/src/photon.cpp b/src/photon.cpp
index b0cd8aa87..3f9ff6dbf 100644
--- a/src/photon.cpp
+++ b/src/photon.cpp
@@ -16,6 +16,9 @@
 #include "xtensor/xbuilder.hpp"
 #include "xtensor/xoperation.hpp"
 #include "xtensor/xview.hpp"
+#include "xtensor/xmath.hpp"
+#include "xtensor/xslice.hpp"
+#include "xtensor/xtensor_forward.hpp"
 
 #include <cmath>
 #include <fmt/core.h>
@@ -125,6 +128,7 @@ PhotonInteraction::PhotonInteraction(hid_t group)
   }
 
   shells_.resize(n_shell);
+  cross_sections_.resize({energy_.size(), n_shell});
 
   // Create mapping from designator to index
   std::unordered_map<int, int> shell_map;
@@ -155,13 +159,14 @@ PhotonInteraction::PhotonInteraction(hid_t group)
     read_attribute(tgroup, "num_electrons", shell.n_electrons);
 
     // Read subshell cross section
+    xt::xtensor<double, 1> xs;
     dset = open_dataset(tgroup, "xs");
     read_attribute(dset, "threshold_idx", shell.threshold);
     close_dataset(dset);
-    read_dataset(tgroup, "xs", shell.cross_section);
+    read_dataset(tgroup, "xs", xs);
 
-    auto& xs = shell.cross_section;
-    xs = xt::where(xs > 0.0, xt::log(xs), -500.0);
+    auto cross_section = xt::view(cross_sections_, xt::range(shell.threshold, shell.threshold + xs.size()), i);
+    cross_section = xt::where(xs > 0.0, xt::log(xs), -500.0);
 
     if (object_exists(tgroup, "transitions")) {
       // Determine dimensions of transitions
@@ -565,19 +570,10 @@ void PhotonInteraction::calculate_xs(Particle& p) const
     incoherent_(i_grid) + f * (incoherent_(i_grid + 1) - incoherent_(i_grid)));
 
   // Calculate microscopic photoelectric cross section
-  xs.photoelectric = 0.0;
-  for (const auto& shell : shells_) {
-    // Check threshold of reaction
-    int i_start = shell.threshold;
-    if (i_grid < i_start)
-      continue;
+  const auto& xs_upper = xt::row(cross_sections_, i_grid);
+  const auto& xs_lower = xt::row(cross_sections_, i_grid + 1);
 
-    // Evaluation subshell photoionization cross section
-    xs.photoelectric +=
-      std::exp(shell.cross_section(i_grid - i_start) +
-               f * (shell.cross_section(i_grid + 1 - i_start) -
-                     shell.cross_section(i_grid - i_start)));
-  }
+  xs.photoelectric = xt::sum(xt::exp(xs_upper + f * (xs_upper - xs_lower)))[0];
 
   // Calculate microscopic pair production cross section
   xs.pair_production = std::exp(
diff --git a/src/physics.cpp b/src/physics.cpp
index 13dd063de..38d74dbed 100644
--- a/src/physics.cpp
+++ b/src/physics.cpp
@@ -358,9 +358,9 @@ void sample_photon_reaction(Particle& p)
         continue;
 
       // Evaluation subshell photoionization cross section
-      double xs = std::exp(shell.cross_section(i_grid - i_start) +
-                           f * (shell.cross_section(i_grid + 1 - i_start) -
-                                 shell.cross_section(i_grid - i_start)));
+      double xs = std::exp(element.cross_sections_(i_grid - i_start) +
+                           f * (element.cross_sections_(i_grid + 1 - i_start) -
+                                 element.cross_sections_(i_grid - i_start)));
 
       prob += xs;
       if (prob > cutoff) {

From 82a7ccb16db4c11641f80d86fecfbe46a007b0d4 Mon Sep 17 00:00:00 2001
From: helen-brooks <helen.brooks@ukaea.uk>
Date: Wed, 25 May 2022 15:10:50 +0100
Subject: [PATCH 0335/2654] Something weird happened during rebase - add back
 some lines which got removed

---
 tests/regression_tests/dagmc/external/main.cpp | 5 +++++
 1 file changed, 5 insertions(+)

diff --git a/tests/regression_tests/dagmc/external/main.cpp b/tests/regression_tests/dagmc/external/main.cpp
index 9f5c1ceeb..42f7d97c9 100644
--- a/tests/regression_tests/dagmc/external/main.cpp
+++ b/tests/regression_tests/dagmc/external/main.cpp
@@ -48,6 +48,11 @@ int main(int argc, char* argv[])
   openmc::model::universes.clear();
   openmc::model::universe_map.clear();
 
+  // Update materials (emulate an external program)
+  for (auto& mat_ptr : openmc::model::materials) {
+    mat_ptr->set_temperature(300);
+  }
+
   // Create new DAGMC universe
   openmc::model::universes.push_back(
     std::make_unique<openmc::DAGUniverse>(dag_ptr));

From 6df0286b2e20e39b4eff8d93b262821086a9304f Mon Sep 17 00:00:00 2001
From: Patrick Myers <pmyers@anl.gov>
Date: Wed, 25 May 2022 09:14:10 -0500
Subject: [PATCH 0336/2654] added clang-format

---
 src/photon.cpp | 7 ++++---
 1 file changed, 4 insertions(+), 3 deletions(-)

diff --git a/src/photon.cpp b/src/photon.cpp
index 3f9ff6dbf..1be515a62 100644
--- a/src/photon.cpp
+++ b/src/photon.cpp
@@ -14,11 +14,11 @@
 #include "openmc/settings.h"
 
 #include "xtensor/xbuilder.hpp"
-#include "xtensor/xoperation.hpp"
-#include "xtensor/xview.hpp"
 #include "xtensor/xmath.hpp"
+#include "xtensor/xoperation.hpp"
 #include "xtensor/xslice.hpp"
 #include "xtensor/xtensor_forward.hpp"
+#include "xtensor/xview.hpp"
 
 #include <cmath>
 #include <fmt/core.h>
@@ -165,7 +165,8 @@ PhotonInteraction::PhotonInteraction(hid_t group)
     close_dataset(dset);
     read_dataset(tgroup, "xs", xs);
 
-    auto cross_section = xt::view(cross_sections_, xt::range(shell.threshold, shell.threshold + xs.size()), i);
+    auto cross_section = xt::view(cross_sections_,
+      xt::range(shell.threshold, shell.threshold + xs.size()), i);
     cross_section = xt::where(xs > 0.0, xt::log(xs), -500.0);
 
     if (object_exists(tgroup, "transitions")) {

From f1f215bdbb6c1fb0fee53b78878ab565cd8f335e Mon Sep 17 00:00:00 2001
From: cpf <chris1218@gmx.de>
Date: Wed, 25 May 2022 16:39:42 +0200
Subject: [PATCH 0337/2654] change theta to cos_theta in regression test

---
 tests/regression_tests/source/test.py | 10 +++++-----
 1 file changed, 5 insertions(+), 5 deletions(-)

diff --git a/tests/regression_tests/source/test.py b/tests/regression_tests/source/test.py
index 31debde47..e6a5bcf70 100644
--- a/tests/regression_tests/source/test.py
+++ b/tests/regression_tests/source/test.py
@@ -1,4 +1,4 @@
-from math import pi
+from math import pi, cos
 
 import numpy as np
 import openmc
@@ -32,19 +32,19 @@ class SourceTestHarness(PyAPITestHarness):
         r_dist = openmc.stats.Uniform(2., 3.)
         r_dist1 = openmc.stats.PowerLaw(2., 3., 1.)
         r_dist2 = openmc.stats.PowerLaw(2., 3., 2.)
-        theta_dist = openmc.stats.Discrete([pi/4, pi/2, 3*pi/4],
-                                           [0.3, 0.4, 0.3])
+        cos_theta_dist = openmc.stats.Discrete([cos(pi/4), 0.0, cos(3*pi/4)],
+                                               [0.3, 0.4, 0.3])
         phi_dist = openmc.stats.Uniform(0.0, 2*pi)
         spatial1 = openmc.stats.CartesianIndependent(x_dist, y_dist, z_dist)
         spatial2 = openmc.stats.Box([-4., -4., -4.], [4., 4., 4.])
         spatial3 = openmc.stats.Point([1.2, -2.3, 0.781])
-        spatial4 = openmc.stats.SphericalIndependent(r_dist, theta_dist,
+        spatial4 = openmc.stats.SphericalIndependent(r_dist, cos_theta_dist,
                                                      phi_dist, 
                                                      origin=(1., 1., 0.))
         spatial5 = openmc.stats.CylindricalIndependent(r_dist, phi_dist, 
                                                        z_dist,
                                                        origin=(1., 1., 0.))
-        spatial6 = openmc.stats.SphericalIndependent(r_dist2, theta_dist,
+        spatial6 = openmc.stats.SphericalIndependent(r_dist2, cos_theta_dist,
                                                      phi_dist, 
                                                      origin=(1., 1., 0.))
         spatial7 = openmc.stats.CylindricalIndependent(r_dist1, phi_dist, 

From 86ec0658c57a84019f0ef1c59f53671a2836a60e Mon Sep 17 00:00:00 2001
From: cpf <chris1218@gmx.de>
Date: Wed, 25 May 2022 17:30:13 +0200
Subject: [PATCH 0338/2654] test spherical_uniform

---
 tests/unit_tests/test_source.py | 19 ++++++++++++++++++-
 1 file changed, 18 insertions(+), 1 deletion(-)

diff --git a/tests/unit_tests/test_source.py b/tests/unit_tests/test_source.py
index d4d17a3da..f186437e4 100644
--- a/tests/unit_tests/test_source.py
+++ b/tests/unit_tests/test_source.py
@@ -1,6 +1,6 @@
 import openmc
 import openmc.stats
-
+from math import pi, cos
 
 def test_source():
     space = openmc.stats.Point()
@@ -26,6 +26,22 @@ def test_source():
     assert src.strength == 1.0
 
 
+def test_spherical_uniform():
+    r_outer = 2.0
+    r_inner = 1.0
+    thetas = (0.0, pi/2)
+    phis = (0.0, pi)
+    origin = (0.0, 1.0, 2.0)
+
+    sph_indep_function = openmc.stats.spherical_uniform(r_outer,
+                                                        r_inner,
+                                                        thetas,
+                                                        phis,
+                                                        origin)
+
+    assert isinstance(sph_indep_function, openmc.stats.SphericalIndependent) 
+    
+
 def test_source_file():
     filename = 'source.h5'
     src = openmc.Source(filename=filename)
@@ -35,6 +51,7 @@ def test_source_file():
     assert 'strength' in elem.attrib
     assert 'file' in elem.attrib
 
+
 def test_source_dlopen():
     library = './libsource.so'
     src = openmc.Source(library=library)

From ccda2d3af374e9fc30e79b86da3dc15628196bbc Mon Sep 17 00:00:00 2001
From: cpf <chris1218@gmx.de>
Date: Wed, 25 May 2022 17:32:34 +0200
Subject: [PATCH 0339/2654] removed import cos

---
 tests/unit_tests/test_source.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/tests/unit_tests/test_source.py b/tests/unit_tests/test_source.py
index f186437e4..dbcf49efc 100644
--- a/tests/unit_tests/test_source.py
+++ b/tests/unit_tests/test_source.py
@@ -1,6 +1,6 @@
 import openmc
 import openmc.stats
-from math import pi, cos
+from math import pi
 
 def test_source():
     space = openmc.stats.Point()

From 84a4eb57fbb39938b09a5d91cdcbbd7b08bc8ad8 Mon Sep 17 00:00:00 2001
From: Kalin Kiesling <krkiesling@gmail.com>
Date: Wed, 25 May 2022 13:35:00 -0500
Subject: [PATCH 0340/2654] Update docs/source/quickinstall.rst

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 docs/source/quickinstall.rst | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/docs/source/quickinstall.rst b/docs/source/quickinstall.rst
index 81a442f47..480db5be6 100644
--- a/docs/source/quickinstall.rst
+++ b/docs/source/quickinstall.rst
@@ -13,7 +13,7 @@ Installing on Linux/Mac with Mamba and conda-forge
 --------------------------------------------------
 
 `Conda <https://conda.io/en/latest/>`_ is an open source package management
-systems and environments management system for installing multiple versions of
+system and environments management system for installing multiple versions of
 software packages and their dependencies and switching easily between them.
 `Mamba <https://mamba.readthedocs.io/en/latest/>`_ is a cross-platform package
 manager and is compatible with `conda` packages.

From 22bc340f9d42591fcdfa0b900dd159766217d2ae Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 25 May 2022 14:52:44 -0500
Subject: [PATCH 0341/2654] Rename Track.particles --> Track.particle_tracks

---
 openmc/trackfile.py                           |  29 +-
 .../track_output/results_true.dat             | 535 +++++++++---------
 tests/regression_tests/track_output/test.py   |   3 +-
 tests/unit_tests/test_tracks.py               |   8 +-
 4 files changed, 295 insertions(+), 280 deletions(-)

diff --git a/openmc/trackfile.py b/openmc/trackfile.py
index 6c94b6a04..16cb84c92 100644
--- a/openmc/trackfile.py
+++ b/openmc/trackfile.py
@@ -1,4 +1,5 @@
 from collections import namedtuple
+from collections.abc import Sequence
 
 import h5py
 
@@ -21,6 +22,11 @@ states : numpy.ndarray
     (weight), ``cell_id`` (cell ID) , and ``material_id`` (material ID).
 
 """
+def _particle_track_repr(self):
+    name = self.particle.name.lower()
+    return f"<ParticleTrack: {name}, {len(self.states)} states>"
+ParticleTrack.__repr__ = _particle_track_repr
+
 
 _VERSION_TRACK = 3
 
@@ -31,9 +37,14 @@ def _identifier(dset_name):
     return (int(batch), int(gen), int(particle))
 
 
-class Track:
+class Track(Sequence):
     """Tracks resulting from a single source particle
 
+    This class stores information for all tracks resulting from a primary source
+    particle and any secondary particles that it created. The track for each
+    primary/secondary particle is stored in the :attr:`particle_tracks`
+    attribute.
+
     Parameters
     ----------
     dset : h5py.Dataset
@@ -43,7 +54,7 @@ class Track:
     ----------
     identifier : tuple
         Tuple of (batch, generation, particle number)
-    particles : list
+    particle_tracks : list
         List of tuples containing (particle type, array of track states)
     sources : list
         List of :class:`SourceParticle` representing each primary/secondary
@@ -62,10 +73,16 @@ class Track:
         for particle, start, end in zip(particles, offsets[:-1], offsets[1:]):
             ptype = ParticleType(particle)
             tracks_list.append(ParticleTrack(ptype, tracks[start:end]))
-        self.particles = tracks_list
+        self.particle_tracks = tracks_list
 
     def __repr__(self):
-        return f'<Track {self.identifier}: {len(self.particles)} particles>'
+        return f'<Track {self.identifier}: {len(self.particle_tracks)} particles>'
+
+    def __getitem__(self, index):
+        return self.particle_tracks[index]
+
+    def __len__(self):
+        return len(self.particle_tracks)
 
     def plot(self, axes=None):
         """Produce a 3D plot of particle tracks
@@ -94,7 +111,7 @@ class Track:
             ax = axes
 
         # Plot each particle track
-        for _, states in self.particles:
+        for _, states in self:
             r = states['r']
             ax.plot3D(r['x'], r['y'], r['z'])
 
@@ -103,7 +120,7 @@ class Track:
     @property
     def sources(self):
         sources = []
-        for particle_track in self.particles:
+        for particle_track in self:
             particle_type = ParticleType(particle_track.particle)
             state = particle_track.states[0]
             sources.append(
diff --git a/tests/regression_tests/track_output/results_true.dat b/tests/regression_tests/track_output/results_true.dat
index ee8913019..d36aee6ed 100644
--- a/tests/regression_tests/track_output/results_true.dat
+++ b/tests/regression_tests/track_output/results_true.dat
@@ -1,269 +1,266 @@
-[ParticleTrack(particle=<ParticleType.NEUTRON: 0>, states=array([((-9.663085e-01, -6.616522e-01, -9.863690e-01), (-7.513921e-01, 4.140970e-01, 5.137447e-01), 5.293873e+06, 0.000000e+00, 1.000000e+00, 23, 1),
-       ((-1.281491e+00, -4.879529e-01, -7.708709e-01), (-7.513921e-01, 4.140970e-01, 5.137447e-01), 5.293873e+06, 1.323629e-10, 1.000000e+00, 22, 3),
-       ((-1.368452e+00, -4.400285e-01, -7.114141e-01), (-7.513921e-01, 4.140970e-01, 5.137447e-01), 5.293873e+06, 1.688824e-10, 1.000000e+00, 21, 2),
-       ((-2.150539e+00, -9.015151e-03, -1.766823e-01), (-7.513921e-01, 4.140970e-01, 5.137447e-01), 5.293873e+06, 4.973246e-10, 1.000000e+00, 22, 3),
-       ((-2.237499e+00, 3.890922e-02, -1.172255e-01), (-7.513921e-01, 4.140970e-01, 5.137447e-01), 5.293873e+06, 5.338441e-10, 1.000000e+00, 23, 1),
-       ((-2.453640e+00, 1.580257e-01, 3.055504e-02), (-7.513921e-01, 4.140970e-01, 5.137447e-01), 5.293873e+06, 6.246136e-10, 1.000000e+00, 23, 1),
-       ((-2.767485e+00, 3.309877e-01, 2.451383e-01), (-7.513921e-01, 4.140970e-01, 5.137447e-01), 5.293873e+06, 7.564146e-10, 1.000000e+00, 22, 3),
-       ((-2.825099e+00, 3.627392e-01, 2.845305e-01), (-6.842434e-01, 3.658561e-01, 6.308409e-01), 5.292729e+06, 7.806100e-10, 1.000000e+00, 22, 3),
-       ((-3.274427e+00, 6.029890e-01, 6.987901e-01), (-6.842434e-01, 3.658561e-01, 6.308409e-01), 5.292729e+06, 9.878481e-10, 1.000000e+00, 23, 1),
-       ((-3.676327e+00, 8.178800e-01, 1.069324e+00), (-6.842434e-01, 3.658561e-01, 6.308409e-01), 5.292729e+06, 1.173212e-09, 1.000000e+00, 23, 1),
-       ((-4.089400e+00, 1.038745e+00, 1.450158e+00), (-6.842434e-01, 3.658561e-01, 6.308409e-01), 5.292729e+06, 1.363728e-09, 1.000000e+00, 23, 1),
-       ((-4.456639e+00, 1.235102e+00, 1.788735e+00), (-6.842434e-01, 3.658561e-01, 6.308409e-01), 5.292729e+06, 1.533105e-09, 1.000000e+00, 22, 3),
-       ((-4.536974e+00, 1.278056e+00, 1.862800e+00), (-6.842434e-01, 3.658561e-01, 6.308409e-01), 5.292729e+06, 1.570157e-09, 1.000000e+00, 21, 2),
-       ((-5.410401e+00, 1.745067e+00, 2.668060e+00), (-6.842434e-01, 3.658561e-01, 6.308409e-01), 5.292729e+06, 1.972998e-09, 1.000000e+00, 22, 3),
-       ((-5.490736e+00, 1.788021e+00, 2.742125e+00), (-6.842434e-01, 3.658561e-01, 6.308409e-01), 5.292729e+06, 2.010050e-09, 1.000000e+00, 23, 1),
-       ((-5.576301e+00, 1.833771e+00, 2.821012e+00), (-2.881377e-01, 1.217316e-01, -9.498200e-01), 4.458753e+06, 2.049514e-09, 1.000000e+00, 23, 1),
-       ((-5.725160e+00, 1.896661e+00, 2.330311e+00), (-2.881377e-01, 1.217316e-01, -9.498200e-01), 4.458753e+06, 2.227030e-09, 1.000000e+00, 23, 1),
-       ((-6.116514e+00, 2.061999e+00, 1.040248e+00), (-2.881377e-01, 1.217316e-01, -9.498200e-01), 4.458753e+06, 2.693724e-09, 1.000000e+00, 22, 3),
-       ((-6.534762e+00, 2.238699e+00, -3.384686e-01), (-2.881377e-01, 1.217316e-01, -9.498200e-01), 4.458753e+06, 3.192489e-09, 1.000000e+00, 23, 1),
-       ((-7.043525e+00, 2.453640e+00, -2.015560e+00), (-2.881377e-01, 1.217316e-01, -9.498200e-01), 4.458753e+06, 3.799195e-09, 1.000000e+00, 23, 1),
-       ((-7.360920e+00, 2.587732e+00, -3.061825e+00), (-2.881377e-01, 1.217316e-01, -9.498200e-01), 4.458753e+06, 4.177692e-09, 1.000000e+00, 11, 1),
-       ((-8.996680e+00, 3.278803e+00, -8.453960e+00), (-2.881377e-01, 1.217316e-01, -9.498200e-01), 4.458753e+06, 6.128354e-09, 1.000000e+00, 23, 1),
-       ((-9.220205e+00, 3.373238e+00, -9.190791e+00), (-2.881377e-01, 1.217316e-01, -9.498200e-01), 4.458753e+06, 6.394910e-09, 1.000000e+00, 22, 3),
-       ((-9.320244e+00, 3.415502e+00, -9.520561e+00), (-2.881377e-01, 1.217316e-01, -9.498200e-01), 4.458753e+06, 6.514208e-09, 1.000000e+00, 21, 2),
-       ((-1.005591e+01, 3.726304e+00, -1.194562e+01), (-2.881377e-01, 1.217316e-01, -9.498200e-01), 4.458753e+06, 7.391498e-09, 1.000000e+00, 22, 3),
-       ((-1.015595e+01, 3.768569e+00, -1.227539e+01), (-2.881377e-01, 1.217316e-01, -9.498200e-01), 4.458753e+06, 7.510796e-09, 1.000000e+00, 23, 1),
-       ((-1.062054e+01, 3.964848e+00, -1.380687e+01), (-5.395885e-01, 2.109921e-01, -8.150623e-01), 4.068754e+06, 8.064826e-09, 1.000000e+00, 23, 1),
-       ((-1.063244e+01, 3.969501e+00, -1.382484e+01), (-5.395885e-01, 2.109921e-01, -8.150623e-01), 4.068754e+06, 8.072756e-09, 1.000000e+00, 23, 1),
-       ((-1.093907e+01, 4.089400e+00, -1.428802e+01), (-5.395885e-01, 2.109921e-01, -8.150623e-01), 4.068754e+06, 8.277097e-09, 1.000000e+00, 23, 1),
-       ((-1.108410e+01, 4.146112e+00, -1.450710e+01), (4.855193e-01, 3.316053e-01, -8.088937e-01), 8.856868e+05, 8.373750e-09, 1.000000e+00, 23, 1),
-       ((-1.080173e+01, 4.338973e+00, -1.497755e+01), (2.818553e-01, 5.419536e-02, -9.579251e-01), 7.653670e+05, 8.820862e-09, 1.000000e+00, 23, 1),
-       ((-1.063244e+01, 4.371524e+00, -1.555290e+01), (2.818553e-01, 5.419536e-02, -9.579251e-01), 7.653670e+05, 9.317522e-09, 1.000000e+00, 23, 1),
-       ((-1.041266e+01, 4.413783e+00, -1.629984e+01), (2.686183e-01, -3.269476e-01, -9.060626e-01), 6.562001e+05, 9.962308e-09, 1.000000e+00, 23, 1),
-       ((-1.016754e+01, 4.115428e+00, -1.712667e+01), (-6.340850e-01, -7.142137e-01, -2.963697e-01), 7.155058e+04, 1.077718e-08, 1.000000e+00, 23, 1),
-       ((-1.019064e+01, 4.089400e+00, -1.713747e+01), (-6.340850e-01, -7.142137e-01, -2.963697e-01), 7.155058e+04, 1.087569e-08, 1.000000e+00, 23, 1),
-       ((-1.024915e+01, 4.023496e+00, -1.716481e+01), (1.827568e-01, -7.452255e-01, -6.412791e-01), 2.628504e+04, 1.112511e-08, 1.000000e+00, 23, 1),
-       ((-1.018199e+01, 3.749638e+00, -1.740047e+01), (1.827568e-01, -7.452255e-01, -6.412791e-01), 2.628504e+04, 1.276389e-08, 1.000000e+00, 22, 3),
-       ((-1.015866e+01, 3.654498e+00, -1.748234e+01), (1.827568e-01, -7.452255e-01, -6.412791e-01), 2.628504e+04, 1.333321e-08, 1.000000e+00, 21, 2),
-       ((-1.009978e+01, 3.414404e+00, -1.768895e+01), (1.735861e-01, -9.678731e-01, 1.819053e-01), 2.620416e+04, 1.476994e-08, 1.000000e+00, 21, 2),
-       ((-9.994809e+00, 2.829099e+00, -1.757894e+01), (4.635724e-01, 5.558106e-01, 6.900545e-01), 2.214649e+04, 1.747088e-08, 1.000000e+00, 21, 2),
-       ((-9.553365e+00, 3.358379e+00, -1.692183e+01), (-5.990363e-01, 3.483710e-01, -7.209668e-01), 1.813617e+04, 2.209726e-08, 1.000000e+00, 21, 2),
-       ((-1.011854e+01, 3.687059e+00, -1.760205e+01), (-5.990363e-01, 3.483710e-01, -7.209668e-01), 1.813617e+04, 2.716243e-08, 1.000000e+00, 22, 3),
-       ((-1.020058e+01, 3.734765e+00, -1.770077e+01), (-5.990363e-01, 3.483710e-01, -7.209668e-01), 1.813617e+04, 2.789760e-08, 1.000000e+00, 23, 1),
-       ((-1.063244e+01, 3.985917e+00, -1.822054e+01), (-5.990363e-01, 3.483710e-01, -7.209668e-01), 1.813617e+04, 3.176800e-08, 1.000000e+00, 23, 1),
-       ((-1.081038e+01, 4.089400e+00, -1.843470e+01), (-5.990363e-01, 3.483710e-01, -7.209668e-01), 1.813617e+04, 3.336273e-08, 1.000000e+00, 23, 1),
-       ((-1.081564e+01, 4.092455e+00, -1.844103e+01), (-6.690877e-01, 6.718700e-01, -3.176671e-01), 1.355236e+04, 3.340982e-08, 1.000000e+00, 23, 1),
-       ((-1.096190e+01, 4.239327e+00, -1.851047e+01), (-5.904492e-01, 8.058629e-01, 4.421237e-02), 1.153343e+04, 3.476743e-08, 1.000000e+00, 23, 1),
-       ((-1.109457e+01, 4.420404e+00, -1.850054e+01), (-5.904492e-01, 8.058629e-01, 4.421237e-02), 1.153343e+04, 3.628014e-08, 1.000000e+00, 22, 3),
-       ((-1.113484e+01, 4.475368e+00, -1.849752e+01), (-3.382310e-01, -9.403895e-01, -3.560132e-02), 1.114105e+04, 3.673931e-08, 1.000000e+00, 22, 3),
-       ((-1.117187e+01, 4.372425e+00, -1.850142e+01), (-3.382310e-01, -9.403895e-01, -3.560132e-02), 1.114105e+04, 3.748914e-08, 1.000000e+00, 23, 1),
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+ ((1.007604e+01, -1.043383e+01, 7.790303e+00), (6.790346e-01, 5.167838e-01, 5.213891e-01), 1.340865e-02, 6.810089e-05, 1.000000e+00, 23, 1)
+ ((1.008869e+01, -1.042421e+01, 7.800011e+00), (2.792456e-01, 1.367953e-01, 9.504257e-01), 8.576635e-03, 6.821715e-05, 1.000000e+00, 23, 1)
+ ((1.017046e+01, -1.038415e+01, 8.078330e+00), (-9.462370e-01, 3.185163e-01, 5.641780e-02), 1.119274e-01, 7.050324e-05, 1.000000e+00, 23, 1)
+ ((1.008276e+01, -1.035463e+01, 8.083559e+00), (-9.462370e-01, 3.185163e-01, 5.641780e-02), 1.119274e-01, 7.070353e-05, 1.000000e+00, 22, 3)
+ ((9.952201e+00, -1.031068e+01, 8.091343e+00), (-9.462370e-01, 3.185163e-01, 5.641780e-02), 1.119274e-01, 7.100170e-05, 1.000000e+00, 21, 2)
+ ((9.404929e+00, -1.012646e+01, 8.123973e+00), (-9.462370e-01, 3.185163e-01, 5.641780e-02), 1.119274e-01, 7.225157e-05, 1.000000e+00, 22, 3)
+ ((9.274369e+00, -1.008251e+01, 8.131758e+00), (-9.462370e-01, 3.185163e-01, 5.641780e-02), 1.119274e-01, 7.254974e-05, 1.000000e+00, 23, 1)
+ ((9.126730e+00, -1.003281e+01, 8.140560e+00), (-8.389978e-01, -2.248732e-01, 4.954945e-01), 1.164832e-01, 7.288692e-05, 1.000000e+00, 23, 1)
+ ((8.996680e+00, -1.006767e+01, 8.217365e+00), (-8.389978e-01, -2.248732e-01, 4.954945e-01), 1.164832e-01, 7.321528e-05, 1.000000e+00, 23, 1)
+ ((8.694758e+00, -1.014859e+01, 8.395674e+00), (5.156148e-01, 7.316558e-01, 4.458937e-01), 1.391972e-01, 7.397758e-05, 1.000000e+00, 23, 1)
+ ((8.996680e+00, -9.720167e+00, 8.656770e+00), (5.156148e-01, 7.316558e-01, 4.458937e-01), 1.391972e-01, 7.511228e-05, 1.000000e+00, 23, 1)
+ ((9.263031e+00, -9.342216e+00, 8.887105e+00), (5.734531e-01, -5.017666e-01, 6.475970e-01), 9.798082e-02, 7.611330e-05, 1.000000e+00, 23, 1)
+ ((9.334809e+00, -9.405021e+00, 8.968164e+00), (5.419546e-03, -7.721039e-01, -6.354732e-01), 1.234091e-01, 7.640240e-05, 1.000000e+00, 23, 1)
+ ((9.335117e+00, -9.448857e+00, 8.932084e+00), (5.419546e-03, -7.721039e-01, -6.354732e-01), 1.234091e-01, 7.651925e-05, 1.000000e+00, 22, 3)
+ ((9.336345e+00, -9.623801e+00, 8.788098e+00), (5.419546e-03, -7.721039e-01, -6.354732e-01), 1.234091e-01, 7.698556e-05, 1.000000e+00, 21, 2)
+ ((9.339070e+00, -1.001201e+01, 8.468584e+00), (5.419546e-03, -7.721039e-01, -6.354732e-01), 1.234091e-01, 7.802034e-05, 1.000000e+00, 22, 3)
+ ((9.340298e+00, -1.018696e+01, 8.324598e+00), (5.419546e-03, -7.721039e-01, -6.354732e-01), 1.234091e-01, 7.848665e-05, 1.000000e+00, 23, 1)
+ ((9.343193e+00, -1.059945e+01, 7.985097e+00), (1.798796e-01, 3.522536e-02, -9.830577e-01), 1.283272e-01, 7.958616e-05, 1.000000e+00, 23, 1)
+ ((9.397753e+00, -1.058877e+01, 7.686922e+00), (6.459563e-01, 7.279465e-03, -7.633397e-01), 1.319449e-01, 8.019832e-05, 1.000000e+00, 23, 1)
+ ((9.462343e+00, -1.058804e+01, 7.610595e+00), (-5.748716e-01, 5.760301e-01, -5.811299e-01), 8.880732e-02, 8.039733e-05, 1.000000e+00, 23, 1)
+ ((9.287877e+00, -1.041322e+01, 7.434230e+00), (-4.932135e-03, 1.668926e-01, 9.859627e-01), 3.503028e-02, 8.113361e-05, 1.000000e+00, 23, 1)
+ ((9.286930e+00, -1.038117e+01, 7.623600e+00), (-9.325544e-02, -9.933000e-01, -6.825369e-02), 3.173764e-02, 8.187553e-05, 1.000000e+00, 23, 1)
+ ((9.283901e+00, -1.041342e+01, 7.621384e+00), (-4.235208e-01, -5.129112e-01, 7.466942e-01), 4.258127e-02, 8.200731e-05, 1.000000e+00, 23, 1)
+ ((9.264517e+00, -1.043690e+01, 7.655560e+00), (-7.165846e-01, 3.926265e-01, 5.764988e-01), 4.485063e-02, 8.216767e-05, 1.000000e+00, 23, 1)
+ ((9.256348e+00, -1.043242e+01, 7.662132e+00), (1.703748e-01, -9.175599e-01, -3.592441e-01), 3.521226e-02, 8.220659e-05, 1.000000e+00, 23, 1)
+ ((9.284015e+00, -1.058143e+01, 7.603793e+00), (3.963415e-01, -8.051509e-01, 4.411865e-01), 2.970280e-02, 8.283227e-05, 1.000000e+00, 23, 1)
+ ((9.309126e+00, -1.063244e+01, 7.631745e+00), (3.963415e-01, -8.051509e-01, 4.411865e-01), 2.970280e-02, 8.309804e-05, 1.000000e+00, 23, 1)
+ ((9.317824e+00, -1.065011e+01, 7.641427e+00), (7.190682e-01, 8.976507e-02, -6.891177e-01), 2.867417e-02, 8.319011e-05, 1.000000e+00, 23, 1)
+ ((9.459378e+00, -1.063244e+01, 7.505770e+00), (7.190682e-01, 8.976507e-02, -6.891177e-01), 2.867417e-02, 8.403060e-05, 1.000000e+00, 23, 1)
+ ((9.492454e+00, -1.062831e+01, 7.474071e+00), (4.092619e-03, -9.482095e-01, -3.176193e-01), 4.656141e-02, 8.422700e-05, 1.000000e+00, 23, 1)
+ ((9.492472e+00, -1.063244e+01, 7.472688e+00), (4.092619e-03, -9.482095e-01, -3.176193e-01), 4.656141e-02, 8.424159e-05, 1.000000e+00, 23, 1)
+ ((9.492761e+00, -1.069927e+01, 7.450302e+00), (9.457151e-01, -1.928731e-01, 2.615777e-01), 4.542312e-02, 8.447773e-05, 1.000000e+00, 23, 1)
+ ((9.890524e+00, -1.078039e+01, 7.560320e+00), (7.849118e-01, -1.237812e-01, -6.071175e-01), 5.609444e-02, 8.590450e-05, 1.000000e+00, 23, 1)
+ ((1.004645e+01, -1.080498e+01, 7.439717e+00), (7.849118e-01, -1.237812e-01, -6.071175e-01), 5.609444e-02, 8.651090e-05, 0.000000e+00, 23, 1)]
diff --git a/tests/regression_tests/track_output/test.py b/tests/regression_tests/track_output/test.py
index 06c7e15f5..49dfcefe3 100644
--- a/tests/regression_tests/track_output/test.py
+++ b/tests/regression_tests/track_output/test.py
@@ -34,7 +34,8 @@ class TrackTestHarness(TestHarness):
         tracks = openmc.TrackFile('tracks.h5')
         for track in tracks:
             with np.printoptions(formatter={'float_kind': '{:.6e}'.format}):
-                outstr += str(track.particles) + '\n'
+                for ptrack in track:
+                    outstr += f"{ptrack.particle} {ptrack.states}\n"
 
         return outstr
 
diff --git a/tests/unit_tests/test_tracks.py b/tests/unit_tests/test_tracks.py
index fa3640f34..8365ae054 100644
--- a/tests/unit_tests/test_tracks.py
+++ b/tests/unit_tests/test_tracks.py
@@ -61,12 +61,12 @@ def test_tracks(sphere_model, particle, run_in_tmpdir):
         # Check attributes on Track object
         assert isinstance(track, openmc.Track)
         assert track.identifier == identifier
-        assert isinstance(track.particles, list)
+        assert isinstance(track.particle_tracks, list)
         if particle == 'neutron':
-            assert len(track.particles) == 1
+            assert len(track.particle_tracks) == 1
 
         # Check attributes on ParticleTrack object
-        particle_track = track.particles[0]
+        particle_track = track.particle_tracks[0]
         assert isinstance(particle_track, openmc.ParticleTrack)
 
         assert particle_track.particle.name.lower() == particle
@@ -84,7 +84,7 @@ def test_tracks(sphere_model, particle, run_in_tmpdir):
 
         # Checks on 'sources' property
         sources = track.sources
-        assert len(sources) == len(track.particles)
+        assert len(sources) == len(track.particle_tracks)
         x = sources[0]
         state = particle_track.states[0]
         assert x.r == (*state['r'],)

From fc60a533c13ab9ea2e98bc8bd8120c9fc730c001 Mon Sep 17 00:00:00 2001
From: cpf <chris1218@gmx.de>
Date: Wed, 25 May 2022 22:39:17 +0200
Subject: [PATCH 0342/2654] changed theta cos_theta

---
 tests/regression_tests/source/inputs_true.dat | 12 ++++++------
 1 file changed, 6 insertions(+), 6 deletions(-)

diff --git a/tests/regression_tests/source/inputs_true.dat b/tests/regression_tests/source/inputs_true.dat
index 131d20ac1..c9c9c4277 100644
--- a/tests/regression_tests/source/inputs_true.dat
+++ b/tests/regression_tests/source/inputs_true.dat
@@ -53,9 +53,9 @@
   <source strength="0.1">
     <space origin="1.0 1.0 0.0" type="spherical">
       <r parameters="2.0 3.0" type="uniform" />
-      <theta type="discrete">
-        <parameters>0.7853981633974483 1.5707963267948966 2.356194490192345 0.3 0.4 0.3</parameters>
-      </theta>
+      <cos_theta type="discrete">
+        <parameters>0.7071067811865476 0.0 -0.7071067811865475 0.3 0.4 0.3</parameters>
+      </cos_theta>
       <phi parameters="0.0 6.283185307179586" type="uniform" />
     </space>
     <angle type="isotropic" />
@@ -102,9 +102,9 @@
   <source strength="0.1">
     <space origin="1.0 1.0 0.0" type="spherical">
       <r parameters="2.0 3.0 2.0" type="powerlaw" />
-      <theta type="discrete">
-        <parameters>0.7853981633974483 1.5707963267948966 2.356194490192345 0.3 0.4 0.3</parameters>
-      </theta>
+      <cos_theta type="discrete">
+        <parameters>0.7071067811865476 0.0 -0.7071067811865475 0.3 0.4 0.3</parameters>
+      </cos_theta>
       <phi parameters="0.0 6.283185307179586" type="uniform" />
     </space>
     <angle type="isotropic" />

From 7b0862c4dcbcfcb1e4a08e6d70aa088e9df89ca1 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 25 May 2022 16:47:25 -0500
Subject: [PATCH 0343/2654] Add filter method to TrackFile and Track classes

---
 openmc/trackfile.py             | 83 +++++++++++++++++++++++++++++++++
 tests/unit_tests/test_tracks.py | 32 +++++++++++++
 2 files changed, 115 insertions(+)

diff --git a/openmc/trackfile.py b/openmc/trackfile.py
index 16cb84c92..179371260 100644
--- a/openmc/trackfile.py
+++ b/openmc/trackfile.py
@@ -84,6 +84,62 @@ class Track(Sequence):
     def __len__(self):
         return len(self.particle_tracks)
 
+    def filter(self, particle=None, state_filter=None):
+        """Filter particle tracks by given criteria
+
+        Parameters
+        ----------
+        particle : {'neutron', 'photon', 'electron', 'positron'}
+            Matching particle type
+        state_filter : function
+            Function that takes a state (structured datatype) and returns a bool
+            depending on some criteria.
+
+        Returns
+        -------
+        list
+            List of :class:`openmc.ParticleTrack` objects
+
+        Examples
+        --------
+        Get all particle tracks for photons:
+
+        >>> track.filter(particle='photon')
+
+        Get all particle tracks that entered cell with ID=15:
+
+        >>> track.filter(state_filter=lambda s: s['cell_id'] == 15)
+
+        Get all particle tracks in entered material with ID=2:
+
+        >>> track.filter(state_filter=lambda s: s['material_id'] == 2)
+
+        See Also
+        --------
+        openmc.ParticleTrack
+
+        """
+        matching = []
+        for t in self:
+            # Check for matching particle
+            if particle is not None:
+                if t.particle.name.lower() != particle:
+                    continue
+
+            # Apply arbitrary state filter
+            match = True
+            if state_filter is not None:
+                for state in t.states:
+                    if state_filter(state):
+                        break
+                else:
+                    match = False
+
+            if match:
+                matching.append(t)
+
+        return matching
+
     def plot(self, axes=None):
         """Produce a 3D plot of particle tracks
 
@@ -156,6 +212,33 @@ class TrackFile(list):
                 dset = fh[dset_name]
                 self.append(Track(dset))
 
+    def filter(self, particle=None, state_filter=None):
+        """Filter tracks by given criteria
+
+        Parameters
+        ----------
+        particle : {'neutron', 'photon', 'electron', 'positron'}
+            Matching particle type
+        state_filter : function
+            Function that takes a state (structured datatype) and returns a bool
+            depending on some criteria.
+
+        Returns
+        -------
+        list
+            List of :class:`openmc.Track` objects
+
+        See Also
+        --------
+        openmc.Track.filter
+
+        """
+        matching = []
+        for track in self:
+            if track.filter(particle, state_filter):
+                matching.append(track)
+        return matching
+
     def plot(self):
         """Produce a 3D plot of particle tracks
 
diff --git a/tests/unit_tests/test_tracks.py b/tests/unit_tests/test_tracks.py
index 8365ae054..4c820724d 100644
--- a/tests/unit_tests/test_tracks.py
+++ b/tests/unit_tests/test_tracks.py
@@ -107,3 +107,35 @@ def test_max_tracks(sphere_model, run_in_tmpdir):
     # Open track file and make sure we have correct number of tracks
     tracks = openmc.TrackFile('tracks.h5')
     assert len(tracks) == expected_num_tracks
+
+
+def test_filter(sphere_model, run_in_tmpdir):
+    # Set maximum number of tracks per process to write
+    sphere_model.settings.max_tracks = 25
+    sphere_model.settings.photon_transport = True
+
+    # Run OpenMC to generate tracks.h5 file
+    generate_track_file(sphere_model, tracks=True)
+
+    tracks = openmc.TrackFile('tracks.h5')
+    for track in tracks:
+        # Test filtering by particle
+        matches = track.filter(particle='photon')
+        for x in matches:
+            assert x.particle == openmc.ParticleType.PHOTON
+
+        # Test general state filter
+        matches = track.filter(state_filter=lambda s: s['cell_id'] == 1)
+        assert matches == track.particle_tracks
+        matches = track.filter(state_filter=lambda s: s['cell_id'] == 2)
+        assert matches == []
+        matches = track.filter(state_filter=lambda s: s['E'] < 0.0)
+        assert matches == []
+
+    # Test filter method on TrackFile
+    matches = tracks.filter(particle='neutron')
+    assert matches == tracks
+    matches = tracks.filter(state_filter=lambda s: s['E'] > 0.0)
+    assert matches == tracks
+    matches = tracks.filter(particle='bunnytron')
+    assert matches == []

From 2e54c31915ceb05ade36575f87f9a51f4a982343 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 25 May 2022 16:58:20 -0500
Subject: [PATCH 0344/2654] Rename TrackFile --> Tracks

---
 docs/source/pythonapi/base.rst              |  2 +-
 docs/source/usersguide/settings.rst         | 30 ++++++++++++---------
 openmc/trackfile.py                         |  4 +--
 scripts/openmc-track-combine                |  2 +-
 scripts/openmc-track-to-vtk                 |  2 +-
 tests/regression_tests/track_output/test.py |  2 +-
 tests/unit_tests/test_tracks.py             | 10 +++----
 7 files changed, 29 insertions(+), 23 deletions(-)

diff --git a/docs/source/pythonapi/base.rst b/docs/source/pythonapi/base.rst
index bc4325ae5..076b02722 100644
--- a/docs/source/pythonapi/base.rst
+++ b/docs/source/pythonapi/base.rst
@@ -189,7 +189,7 @@ Post-processing
    openmc.StatePoint
    openmc.Summary
    openmc.Track
-   openmc.TrackFile
+   openmc.Tracks
 
 The following classes and functions are used for functional expansion reconstruction.
 
diff --git a/docs/source/usersguide/settings.rst b/docs/source/usersguide/settings.rst
index db06d8a0e..d1242f70c 100644
--- a/docs/source/usersguide/settings.rst
+++ b/docs/source/usersguide/settings.rst
@@ -545,9 +545,9 @@ tracks will be written as follows::
   settings.max_tracks = 1000
 
 Particle track information is written to the ``tracks.h5`` file, which can be
-analyzed using the :class:`~openmc.TrackFile` class::
+analyzed using the :class:`~openmc.Tracks` class::
 
-  >>> tracks = openmc.TrackFile('tracks.h5')
+  >>> tracks = openmc.Tracks('tracks.h5')
   >>> tracks
   [<Track (1, 1, 50): 151 particles>,
    <Track (2, 1, 30): 191 particles>,
@@ -557,19 +557,25 @@ Each :class:`~openmc.Track` object stores a list of track information for every
 primary/secondary particle. In the above example, the first source particle
 produced 150 secondary particles for a total of 151 particles. Information for
 each primary/secondary particle can be accessed using the
-:attr:`~openmc.Track.particles` attribute::
+:attr:`~openmc.Track.particle_tracks` attribute::
 
   >>> first_track = tracks[0]
-  >>> len(first_track.particles)
-  151
-  >>> photon = first_track.particles[10]
-  ParticleTrack(particle=<ParticleType.PHOTON: 1>, states=array([...]))
+  >>> first_track.particle_tracks
+  [<ParticleTrack: neutron, 120 states>,
+   <ParticleTrack: photon, 6 states>,
+   <ParticleTrack: electron, 2 states>,
+   <ParticleTrack: electron, 2 states>,
+   <ParticleTrack: electron, 2 states>,
+   ...
+   <ParticleTrack: electron, 2 states>,
+   <ParticleTrack: electron, 2 states>]
+  >>> photon = first_track.particle_tracks[1]
 
-The :class:`~openmc.ParticleTrack` class is a named tuple indicating the particle
-type and then a NumPy array of the "states". The states array is a compound type
-with a field for each physical quantity (position, direction, energy, time,
-weight, cell ID, and material ID). For example, to get the position for the
-above particle track::
+The :class:`~openmc.ParticleTrack` class is a named tuple indicating the
+particle type and then a NumPy array of the "states". The states array is a
+compound type with a field for each physical quantity (position, direction,
+energy, time, weight, cell ID, and material ID). For example, to get the
+position for the above particle track::
 
   >>> photon.states['r']
   array([(-11.92987939, -12.28467295, 0.67837495),
diff --git a/openmc/trackfile.py b/openmc/trackfile.py
index 179371260..b3bf2e904 100644
--- a/openmc/trackfile.py
+++ b/openmc/trackfile.py
@@ -189,7 +189,7 @@ class Track(Sequence):
         return sources
 
 
-class TrackFile(list):
+class Tracks(list):
     """Collection of particle tracks
 
     This class behaves like a list and can be indexed using the normal subscript
@@ -202,7 +202,7 @@ class TrackFile(list):
 
     """
 
-    def __init__(self, filepath):
+    def __init__(self, filepath='tracks.h5'):
         # Read data from track file
         with h5py.File(filepath, 'r') as fh:
             # Check filetype and version
diff --git a/scripts/openmc-track-combine b/scripts/openmc-track-combine
index 155fe9b54..f69f2151c 100755
--- a/scripts/openmc-track-combine
+++ b/scripts/openmc-track-combine
@@ -17,7 +17,7 @@ def main():
                         help='Output HDF5 particle track file.')
 
     args = parser.parse_args()
-    openmc.TrackFile.combine(args.input, args.out)
+    openmc.Tracks.combine(args.input, args.out)
 
 
 if __name__ == '__main__':
diff --git a/scripts/openmc-track-to-vtk b/scripts/openmc-track-to-vtk
index 7959ad35d..2624ad239 100755
--- a/scripts/openmc-track-to-vtk
+++ b/scripts/openmc-track-to-vtk
@@ -39,7 +39,7 @@ def main():
     point_offset = 0
     for fname in args.input:
         # Write coordinate values to points array.
-        track_file = openmc.TrackFile(fname)
+        track_file = openmc.Tracks(fname)
         for track in track_file:
             for particle in track.particles:
                 for state in particle.states:
diff --git a/tests/regression_tests/track_output/test.py b/tests/regression_tests/track_output/test.py
index 49dfcefe3..62526117d 100644
--- a/tests/regression_tests/track_output/test.py
+++ b/tests/regression_tests/track_output/test.py
@@ -31,7 +31,7 @@ class TrackTestHarness(TestHarness):
 
         # Get string of track file information
         outstr = ''
-        tracks = openmc.TrackFile('tracks.h5')
+        tracks = openmc.Tracks('tracks.h5')
         for track in tracks:
             with np.printoptions(formatter={'float_kind': '{:.6e}'.format}):
                 for ptrack in track:
diff --git a/tests/unit_tests/test_tracks.py b/tests/unit_tests/test_tracks.py
index 4c820724d..bf54e700f 100644
--- a/tests/unit_tests/test_tracks.py
+++ b/tests/unit_tests/test_tracks.py
@@ -36,7 +36,7 @@ def generate_track_file(model, **kwargs):
     if config['mpi'] and int(config['mpi_np']) > 1:
         # With MPI, we need to combine track files
         track_files = Path.cwd().glob('tracks_p*.h5')
-        openmc.TrackFile.combine(track_files, 'tracks.h5')
+        openmc.Tracks.combine(track_files, 'tracks.h5')
     else:
         track_file = Path('tracks.h5')
         assert track_file.is_file()
@@ -54,7 +54,7 @@ def test_tracks(sphere_model, particle, run_in_tmpdir):
     generate_track_file(sphere_model)
 
     # Open track file and make sure we have correct number of tracks
-    tracks = openmc.TrackFile('tracks.h5')
+    tracks = openmc.Tracks('tracks.h5')
     assert len(tracks) == len(sphere_model.settings.track)
 
     for track, identifier in zip(tracks, sphere_model.settings.track):
@@ -105,7 +105,7 @@ def test_max_tracks(sphere_model, run_in_tmpdir):
     generate_track_file(sphere_model, tracks=True)
 
     # Open track file and make sure we have correct number of tracks
-    tracks = openmc.TrackFile('tracks.h5')
+    tracks = openmc.Tracks('tracks.h5')
     assert len(tracks) == expected_num_tracks
 
 
@@ -117,7 +117,7 @@ def test_filter(sphere_model, run_in_tmpdir):
     # Run OpenMC to generate tracks.h5 file
     generate_track_file(sphere_model, tracks=True)
 
-    tracks = openmc.TrackFile('tracks.h5')
+    tracks = openmc.Tracks('tracks.h5')
     for track in tracks:
         # Test filtering by particle
         matches = track.filter(particle='photon')
@@ -132,7 +132,7 @@ def test_filter(sphere_model, run_in_tmpdir):
         matches = track.filter(state_filter=lambda s: s['E'] < 0.0)
         assert matches == []
 
-    # Test filter method on TrackFile
+    # Test filter method on Tracks
     matches = tracks.filter(particle='neutron')
     assert matches == tracks
     matches = tracks.filter(state_filter=lambda s: s['E'] > 0.0)

From c2a0599b23da1bcc6f607935d3286af6514cc454 Mon Sep 17 00:00:00 2001
From: cpf <chris1218@gmx.de>
Date: Thu, 26 May 2022 00:07:36 +0200
Subject: [PATCH 0345/2654] update criticality by different distribution

---
 tests/regression_tests/source/results_true.dat | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/tests/regression_tests/source/results_true.dat b/tests/regression_tests/source/results_true.dat
index 62eaf6eff..bfc387065 100644
--- a/tests/regression_tests/source/results_true.dat
+++ b/tests/regression_tests/source/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-2.865754E-01 6.762423E-03
+2.865449E-01 6.769564E-03

From 53d7c848ea1d43d37b55f0f2b8d61338dbe30e2e Mon Sep 17 00:00:00 2001
From: cpf <chris1218@gmx.de>
Date: Thu, 26 May 2022 00:17:03 +0200
Subject: [PATCH 0346/2654] use of testing cross sections

---
 tests/regression_tests/source/results_true.dat | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/tests/regression_tests/source/results_true.dat b/tests/regression_tests/source/results_true.dat
index bfc387065..62eaf6eff 100644
--- a/tests/regression_tests/source/results_true.dat
+++ b/tests/regression_tests/source/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-2.865449E-01 6.769564E-03
+2.865754E-01 6.762423E-03

From ae849c584287657534b97dcca074ae7d5e5b7c51 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 25 May 2022 22:12:44 -0500
Subject: [PATCH 0347/2654] Have filter methods return new Track/Tracks objects

---
 docs/source/usersguide/settings.rst | 13 +++++++++++++
 openmc/trackfile.py                 | 17 ++++++++++++-----
 tests/unit_tests/test_tracks.py     |  8 +++++---
 3 files changed, 30 insertions(+), 8 deletions(-)

diff --git a/docs/source/usersguide/settings.rst b/docs/source/usersguide/settings.rst
index d1242f70c..f73967ad9 100644
--- a/docs/source/usersguide/settings.rst
+++ b/docs/source/usersguide/settings.rst
@@ -596,6 +596,19 @@ The full list of fields is as follows:
   :cell_id: Cell ID
   :material_id: Material ID
 
+Both the :class:`~openmc.Tracks` and :class:`~openmc.Track` classes have a
+``filter`` method that allows you to get a subset of tracks that meet a given
+criteria. For example, to get all tracks that involved a photon::
+
+  >>> tracks.filter(particle='photon')
+  [<Track (1, 1, 50): 151 particles>,
+   <Track (2, 1, 30): 191 particles>,
+   <Track (5, 1, 75): 81 particles>]
+
+The :meth:`openmc.Tracks.filter` method returns a new :class:`~openmc.Tracks`
+instance, whereas the :meth:`openmc.Track.filter` method returns a new
+:class:`~openmc.Track` instance.
+
 .. note:: If you are using an MPI-enabled install of OpenMC and run a simulation
           with more than one process, a separate track file will be written for
           each MPI process with the filename ``tracks_p#.h5`` where # is the
diff --git a/openmc/trackfile.py b/openmc/trackfile.py
index b3bf2e904..b8b479cc6 100644
--- a/openmc/trackfile.py
+++ b/openmc/trackfile.py
@@ -97,8 +97,8 @@ class Track(Sequence):
 
         Returns
         -------
-        list
-            List of :class:`openmc.ParticleTrack` objects
+        Track
+            New instance with only matching :class:`openmc.ParticleTrack` objects
 
         Examples
         --------
@@ -138,7 +138,11 @@ class Track(Sequence):
             if match:
                 matching.append(t)
 
-        return matching
+        # Return new Track instance with only matching particle tracks
+        track = type(self).__new__(type(self))
+        track.identifier = self.identifier
+        track.particle_tracks = matching
+        return track
 
     def plot(self, axes=None):
         """Produce a 3D plot of particle tracks
@@ -225,7 +229,7 @@ class Tracks(list):
 
         Returns
         -------
-        list
+        Tracks
             List of :class:`openmc.Track` objects
 
         See Also
@@ -233,7 +237,10 @@ class Tracks(list):
         openmc.Track.filter
 
         """
-        matching = []
+        # Create a new Tracks instance but avoid call to __init__
+        matching = type(self).__new__(type(self))
+
+        # Append matching Track objects
         for track in self:
             if track.filter(particle, state_filter):
                 matching.append(track)
diff --git a/tests/unit_tests/test_tracks.py b/tests/unit_tests/test_tracks.py
index bf54e700f..e18015d81 100644
--- a/tests/unit_tests/test_tracks.py
+++ b/tests/unit_tests/test_tracks.py
@@ -126,14 +126,16 @@ def test_filter(sphere_model, run_in_tmpdir):
 
         # Test general state filter
         matches = track.filter(state_filter=lambda s: s['cell_id'] == 1)
-        assert matches == track.particle_tracks
+        assert isinstance(matches, openmc.Track)
+        assert matches.particle_tracks == track.particle_tracks
         matches = track.filter(state_filter=lambda s: s['cell_id'] == 2)
-        assert matches == []
+        assert matches.particle_tracks == []
         matches = track.filter(state_filter=lambda s: s['E'] < 0.0)
-        assert matches == []
+        assert matches.particle_tracks == []
 
     # Test filter method on Tracks
     matches = tracks.filter(particle='neutron')
+    assert isinstance(matches, openmc.Tracks)
     assert matches == tracks
     matches = tracks.filter(state_filter=lambda s: s['E'] > 0.0)
     assert matches == tracks

From 4a13b39224a9bc0e294c87c3738665a2e71e0d67 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 25 May 2022 22:13:20 -0500
Subject: [PATCH 0348/2654] Rename trackfile.py --> tracks.py

---
 openmc/__init__.py                 | 2 +-
 openmc/{trackfile.py => tracks.py} | 0
 2 files changed, 1 insertion(+), 1 deletion(-)
 rename openmc/{trackfile.py => tracks.py} (100%)

diff --git a/openmc/__init__.py b/openmc/__init__.py
index 91af25a5f..e63e9e4d1 100644
--- a/openmc/__init__.py
+++ b/openmc/__init__.py
@@ -30,7 +30,7 @@ from openmc.mixin import *
 from openmc.plotter import *
 from openmc.search import *
 from openmc.polynomial import *
-from openmc.trackfile import *
+from openmc.tracks import *
 from . import examples
 
 # Import a few names from the model module
diff --git a/openmc/trackfile.py b/openmc/tracks.py
similarity index 100%
rename from openmc/trackfile.py
rename to openmc/tracks.py

From 9704aa0ed48e1838465de4a7b926d98f64e48b09 Mon Sep 17 00:00:00 2001
From: cpf <chris1218@gmx.de>
Date: Thu, 26 May 2022 14:20:12 +0200
Subject: [PATCH 0349/2654] change theta cos_theta in test unstructured_mesh

---
 tests/regression_tests/unstructured_mesh/test.py | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/tests/regression_tests/unstructured_mesh/test.py b/tests/regression_tests/unstructured_mesh/test.py
index c921a7848..daebe7948 100644
--- a/tests/regression_tests/unstructured_mesh/test.py
+++ b/tests/regression_tests/unstructured_mesh/test.py
@@ -228,10 +228,10 @@ def test_unstructured_mesh(test_opts):
 
     # source setup
     r = openmc.stats.Uniform(a=0.0, b=0.0)
-    theta = openmc.stats.Discrete(x=[0.0], p=[1.0])
+    cos_theta = openmc.stats.Discrete(x=[1.0], p=[1.0])
     phi = openmc.stats.Discrete(x=[0.0], p=[1.0])
 
-    space = openmc.stats.SphericalIndependent(r, theta, phi)
+    space = openmc.stats.SphericalIndependent(r, cos_theta, phi)
     energy = openmc.stats.Discrete(x=[15.e+06], p=[1.0])
     source = openmc.Source(space=space, energy=energy)
     settings.source = source

From be006abf1767e8053954300a96c5af92e8766dba Mon Sep 17 00:00:00 2001
From: cpf <chris1218@gmx.de>
Date: Thu, 26 May 2022 16:13:37 +0200
Subject: [PATCH 0350/2654] change input_true in unstructured_mesh

---
 tests/regression_tests/unstructured_mesh/inputs_true0.dat  | 6 +++---
 tests/regression_tests/unstructured_mesh/inputs_true1.dat  | 6 +++---
 tests/regression_tests/unstructured_mesh/inputs_true10.dat | 6 +++---
 tests/regression_tests/unstructured_mesh/inputs_true11.dat | 6 +++---
 tests/regression_tests/unstructured_mesh/inputs_true12.dat | 6 +++---
 tests/regression_tests/unstructured_mesh/inputs_true13.dat | 6 +++---
 tests/regression_tests/unstructured_mesh/inputs_true14.dat | 6 +++---
 tests/regression_tests/unstructured_mesh/inputs_true15.dat | 6 +++---
 tests/regression_tests/unstructured_mesh/inputs_true2.dat  | 6 +++---
 tests/regression_tests/unstructured_mesh/inputs_true3.dat  | 6 +++---
 tests/regression_tests/unstructured_mesh/inputs_true4.dat  | 6 +++---
 tests/regression_tests/unstructured_mesh/inputs_true5.dat  | 6 +++---
 tests/regression_tests/unstructured_mesh/inputs_true6.dat  | 6 +++---
 tests/regression_tests/unstructured_mesh/inputs_true7.dat  | 6 +++---
 tests/regression_tests/unstructured_mesh/inputs_true8.dat  | 6 +++---
 tests/regression_tests/unstructured_mesh/inputs_true9.dat  | 6 +++---
 16 files changed, 48 insertions(+), 48 deletions(-)

diff --git a/tests/regression_tests/unstructured_mesh/inputs_true0.dat b/tests/regression_tests/unstructured_mesh/inputs_true0.dat
index 7411e9b94..1ed60d507 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true0.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true0.dat
@@ -50,9 +50,9 @@
   <source strength="1.0">
     <space origin="0.0 0.0 0.0" type="spherical">
       <r parameters="0.0 0.0" type="uniform" />
-      <theta type="discrete">
-        <parameters>0.0 1.0</parameters>
-      </theta>
+      <cos_theta type="discrete">
+        <parameters>1.0 1.0</parameters>
+      </cos_theta>
       <phi type="discrete">
         <parameters>0.0 1.0</parameters>
       </phi>
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true1.dat b/tests/regression_tests/unstructured_mesh/inputs_true1.dat
index e85aab119..67dde56a9 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true1.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true1.dat
@@ -50,9 +50,9 @@
   <source strength="1.0">
     <space origin="0.0 0.0 0.0" type="spherical">
       <r parameters="0.0 0.0" type="uniform" />
-      <theta type="discrete">
-        <parameters>0.0 1.0</parameters>
-      </theta>
+      <cos_theta type="discrete">
+        <parameters>1.0 1.0</parameters>
+      </cos_theta>
       <phi type="discrete">
         <parameters>0.0 1.0</parameters>
       </phi>
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true10.dat b/tests/regression_tests/unstructured_mesh/inputs_true10.dat
index 628e5e7bc..9ca47a356 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true10.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true10.dat
@@ -50,9 +50,9 @@
   <source strength="1.0">
     <space origin="0.0 0.0 0.0" type="spherical">
       <r parameters="0.0 0.0" type="uniform" />
-      <theta type="discrete">
-        <parameters>0.0 1.0</parameters>
-      </theta>
+      <cos_theta type="discrete">
+        <parameters>1.0 1.0</parameters>
+      </cos_theta>
       <phi type="discrete">
         <parameters>0.0 1.0</parameters>
       </phi>
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true11.dat b/tests/regression_tests/unstructured_mesh/inputs_true11.dat
index 1c0a579e5..683e1fade 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true11.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true11.dat
@@ -50,9 +50,9 @@
   <source strength="1.0">
     <space origin="0.0 0.0 0.0" type="spherical">
       <r parameters="0.0 0.0" type="uniform" />
-      <theta type="discrete">
-        <parameters>0.0 1.0</parameters>
-      </theta>
+      <cos_theta type="discrete">
+        <parameters>1.0 1.0</parameters>
+      </cos_theta>
       <phi type="discrete">
         <parameters>0.0 1.0</parameters>
       </phi>
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true12.dat b/tests/regression_tests/unstructured_mesh/inputs_true12.dat
index a75344435..8ce9f3cf2 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true12.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true12.dat
@@ -50,9 +50,9 @@
   <source strength="1.0">
     <space origin="0.0 0.0 0.0" type="spherical">
       <r parameters="0.0 0.0" type="uniform" />
-      <theta type="discrete">
-        <parameters>0.0 1.0</parameters>
-      </theta>
+      <cos_theta type="discrete">
+        <parameters>1.0 1.0</parameters>
+      </cos_theta>
       <phi type="discrete">
         <parameters>0.0 1.0</parameters>
       </phi>
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true13.dat b/tests/regression_tests/unstructured_mesh/inputs_true13.dat
index c62c3c911..bca0bee4c 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true13.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true13.dat
@@ -50,9 +50,9 @@
   <source strength="1.0">
     <space origin="0.0 0.0 0.0" type="spherical">
       <r parameters="0.0 0.0" type="uniform" />
-      <theta type="discrete">
-        <parameters>0.0 1.0</parameters>
-      </theta>
+      <cos_theta type="discrete">
+        <parameters>1.0 1.0</parameters>
+      </cos_theta>
       <phi type="discrete">
         <parameters>0.0 1.0</parameters>
       </phi>
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true14.dat b/tests/regression_tests/unstructured_mesh/inputs_true14.dat
index b7ac4c048..226331ba8 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true14.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true14.dat
@@ -50,9 +50,9 @@
   <source strength="1.0">
     <space origin="0.0 0.0 0.0" type="spherical">
       <r parameters="0.0 0.0" type="uniform" />
-      <theta type="discrete">
-        <parameters>0.0 1.0</parameters>
-      </theta>
+      <cos_theta type="discrete">
+        <parameters>1.0 1.0</parameters>
+      </cos_theta>
       <phi type="discrete">
         <parameters>0.0 1.0</parameters>
       </phi>
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true15.dat b/tests/regression_tests/unstructured_mesh/inputs_true15.dat
index 1d96efc7d..a6a084165 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true15.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true15.dat
@@ -50,9 +50,9 @@
   <source strength="1.0">
     <space origin="0.0 0.0 0.0" type="spherical">
       <r parameters="0.0 0.0" type="uniform" />
-      <theta type="discrete">
-        <parameters>0.0 1.0</parameters>
-      </theta>
+      <cos_theta type="discrete">
+        <parameters>1.0 1.0</parameters>
+      </cos_theta>
       <phi type="discrete">
         <parameters>0.0 1.0</parameters>
       </phi>
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true2.dat b/tests/regression_tests/unstructured_mesh/inputs_true2.dat
index a2a2d4a27..4b442c757 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true2.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true2.dat
@@ -50,9 +50,9 @@
   <source strength="1.0">
     <space origin="0.0 0.0 0.0" type="spherical">
       <r parameters="0.0 0.0" type="uniform" />
-      <theta type="discrete">
-        <parameters>0.0 1.0</parameters>
-      </theta>
+      <cos_theta type="discrete">
+        <parameters>1.0 1.0</parameters>
+      </cos_theta>
       <phi type="discrete">
         <parameters>0.0 1.0</parameters>
       </phi>
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true3.dat b/tests/regression_tests/unstructured_mesh/inputs_true3.dat
index c96f90201..52e53498e 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true3.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true3.dat
@@ -50,9 +50,9 @@
   <source strength="1.0">
     <space origin="0.0 0.0 0.0" type="spherical">
       <r parameters="0.0 0.0" type="uniform" />
-      <theta type="discrete">
-        <parameters>0.0 1.0</parameters>
-      </theta>
+      <cos_theta type="discrete">
+        <parameters>1.0 1.0</parameters>
+      </cos_theta>
       <phi type="discrete">
         <parameters>0.0 1.0</parameters>
       </phi>
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true4.dat b/tests/regression_tests/unstructured_mesh/inputs_true4.dat
index a39452da7..995a1828f 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true4.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true4.dat
@@ -50,9 +50,9 @@
   <source strength="1.0">
     <space origin="0.0 0.0 0.0" type="spherical">
       <r parameters="0.0 0.0" type="uniform" />
-      <theta type="discrete">
-        <parameters>0.0 1.0</parameters>
-      </theta>
+      <cos_theta type="discrete">
+        <parameters>1.0 1.0</parameters>
+      </cos_theta>
       <phi type="discrete">
         <parameters>0.0 1.0</parameters>
       </phi>
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true5.dat b/tests/regression_tests/unstructured_mesh/inputs_true5.dat
index 288b7d1fc..60229e5e5 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true5.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true5.dat
@@ -50,9 +50,9 @@
   <source strength="1.0">
     <space origin="0.0 0.0 0.0" type="spherical">
       <r parameters="0.0 0.0" type="uniform" />
-      <theta type="discrete">
-        <parameters>0.0 1.0</parameters>
-      </theta>
+      <cos_theta type="discrete">
+        <parameters>1.0 1.0</parameters>
+      </cos_theta>
       <phi type="discrete">
         <parameters>0.0 1.0</parameters>
       </phi>
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true6.dat b/tests/regression_tests/unstructured_mesh/inputs_true6.dat
index 883e6cbf4..7a9257cb7 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true6.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true6.dat
@@ -50,9 +50,9 @@
   <source strength="1.0">
     <space origin="0.0 0.0 0.0" type="spherical">
       <r parameters="0.0 0.0" type="uniform" />
-      <theta type="discrete">
-        <parameters>0.0 1.0</parameters>
-      </theta>
+      <cos_theta type="discrete">
+        <parameters>1.0 1.0</parameters>
+      </cos_theta>
       <phi type="discrete">
         <parameters>0.0 1.0</parameters>
       </phi>
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true7.dat b/tests/regression_tests/unstructured_mesh/inputs_true7.dat
index 267966e3c..52802febf 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true7.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true7.dat
@@ -50,9 +50,9 @@
   <source strength="1.0">
     <space origin="0.0 0.0 0.0" type="spherical">
       <r parameters="0.0 0.0" type="uniform" />
-      <theta type="discrete">
-        <parameters>0.0 1.0</parameters>
-      </theta>
+      <cos_theta type="discrete">
+        <parameters>1.0 1.0</parameters>
+      </cos_theta>
       <phi type="discrete">
         <parameters>0.0 1.0</parameters>
       </phi>
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true8.dat b/tests/regression_tests/unstructured_mesh/inputs_true8.dat
index 9a7ad5711..e484c95a2 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true8.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true8.dat
@@ -50,9 +50,9 @@
   <source strength="1.0">
     <space origin="0.0 0.0 0.0" type="spherical">
       <r parameters="0.0 0.0" type="uniform" />
-      <theta type="discrete">
-        <parameters>0.0 1.0</parameters>
-      </theta>
+      <cos_theta type="discrete">
+        <parameters>1.0 1.0</parameters>
+      </cos_theta>
       <phi type="discrete">
         <parameters>0.0 1.0</parameters>
       </phi>
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true9.dat b/tests/regression_tests/unstructured_mesh/inputs_true9.dat
index 8aedad237..5e83d71bd 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true9.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true9.dat
@@ -50,9 +50,9 @@
   <source strength="1.0">
     <space origin="0.0 0.0 0.0" type="spherical">
       <r parameters="0.0 0.0" type="uniform" />
-      <theta type="discrete">
-        <parameters>0.0 1.0</parameters>
-      </theta>
+      <cos_theta type="discrete">
+        <parameters>1.0 1.0</parameters>
+      </cos_theta>
       <phi type="discrete">
         <parameters>0.0 1.0</parameters>
       </phi>

From cc338c98d5a9d7ce707eb57aaacb6a681dfdd9b0 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 26 May 2022 09:42:03 -0500
Subject: [PATCH 0351/2654] Add mask_components in Plots -> XML round trip unit
 test

---
 tests/unit_tests/test_plots.py | 2 ++
 1 file changed, 2 insertions(+)

diff --git a/tests/unit_tests/test_plots.py b/tests/unit_tests/test_plots.py
index f61b52604..2db396cd5 100644
--- a/tests/unit_tests/test_plots.py
+++ b/tests/unit_tests/test_plots.py
@@ -93,6 +93,7 @@ def test_plots(run_in_tmpdir):
     p1 = openmc.Plot(name='plot1')
     p1.origin = (5., 5., 5.)
     p1.colors = {10: (255, 100, 0)}
+    p1.mask_components = [2, 4, 6]
     p2 = openmc.Plot(name='plot2')
     p2.origin = (-3., -3., -3.)
     plots = openmc.Plots([p1, p2])
@@ -109,4 +110,5 @@ def test_plots(run_in_tmpdir):
     assert len(plots)
     assert plots[0].origin == p1.origin
     assert plots[0].colors == p1.colors
+    assert plots[0].mask_components == p1.mask_components
     assert plots[1].origin == p2.origin

From 67d54491275baf9d3d5a8c8701e5e3fb266ed1f6 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 12 May 2022 10:19:02 -0500
Subject: [PATCH 0352/2654] After exhaustive find cell search following surface
 crossing, set surface on particle

---
 src/particle.cpp | 4 ++++
 1 file changed, 4 insertions(+)

diff --git a/src/particle.cpp b/src/particle.cpp
index b622a4d69..8738fac2b 100644
--- a/src/particle.cpp
+++ b/src/particle.cpp
@@ -455,6 +455,7 @@ void Particle::cross_surface()
   // COULDN'T FIND PARTICLE IN NEIGHBORING CELLS, SEARCH ALL CELLS
 
   // Remove lower coordinate levels and assignment of surface
+  auto surface_index = surface();
   surface() = 0;
   n_coord() = 1;
   bool found = exhaustive_find_cell(*this);
@@ -478,6 +479,9 @@ void Particle::cross_surface()
       return;
     }
   }
+
+  // Reassign surface to avoid tracking errors
+  surface() = surface_index;
 }
 
 void Particle::cross_vacuum_bc(const Surface& surf)

From 256078ef10399836eb1579b0221822be7882f85c Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 26 May 2022 10:01:15 -0500
Subject: [PATCH 0353/2654] Don't initially reset surface when doing exhaustive
 find cell search

---
 src/particle.cpp | 8 ++------
 1 file changed, 2 insertions(+), 6 deletions(-)

diff --git a/src/particle.cpp b/src/particle.cpp
index 8738fac2b..972ef2575 100644
--- a/src/particle.cpp
+++ b/src/particle.cpp
@@ -454,9 +454,7 @@ void Particle::cross_surface()
   // ==========================================================================
   // COULDN'T FIND PARTICLE IN NEIGHBORING CELLS, SEARCH ALL CELLS
 
-  // Remove lower coordinate levels and assignment of surface
-  auto surface_index = surface();
-  surface() = 0;
+  // Remove lower coordinate levels
   n_coord() = 1;
   bool found = exhaustive_find_cell(*this);
 
@@ -466,6 +464,7 @@ void Particle::cross_surface()
     // the particle is really traveling tangent to a surface, if we move it
     // forward a tiny bit it should fix the problem.
 
+    surface() = 0;
     n_coord() = 1;
     r() += TINY_BIT * u();
 
@@ -479,9 +478,6 @@ void Particle::cross_surface()
       return;
     }
   }
-
-  // Reassign surface to avoid tracking errors
-  surface() = surface_index;
 }
 
 void Particle::cross_vacuum_bc(const Surface& surf)

From e1d91bb4c624034e7c8c28a7e41a88b16129e0ce Mon Sep 17 00:00:00 2001
From: Ethan Peterson <ethan.peterson@mit.edu>
Date: Thu, 26 May 2022 12:59:31 -0400
Subject: [PATCH 0354/2654] Update openmc/mesh.py

Co-authored-by: Patrick Shriwise <pshriwise@gmail.com>
---
 openmc/mesh.py | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 3ae5ee43d..d812f27ac 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -145,8 +145,8 @@ class StructuredMesh(ABC):
 
     """
 
-    def __init__(self, **kwargs):
-        super().__init__(**kwargs)
+    def __init__(self, *args, **kwargs):
+        super().__init__(*args, **kwargs)
 
     @property
     @abstractmethod

From 33ded6d2d324eb03f1531bea9d5a97a65d5e36b2 Mon Sep 17 00:00:00 2001
From: helen-brooks <helen.brooks@ukaea.uk>
Date: Fri, 27 May 2022 09:09:55 +0100
Subject: [PATCH 0355/2654] Additional comments in test

---
 tests/regression_tests/dagmc/external/test.py | 10 ++++++++++
 1 file changed, 10 insertions(+)

diff --git a/tests/regression_tests/dagmc/external/test.py b/tests/regression_tests/dagmc/external/test.py
index 938e262ff..2671f9a84 100644
--- a/tests/regression_tests/dagmc/external/test.py
+++ b/tests/regression_tests/dagmc/external/test.py
@@ -101,15 +101,25 @@ class ExternalDAGMCTest(PyAPITestHarness):
         self.executable = executable
 
     def _run_openmc(self):
+    """
+    Just test if results generated with the external C++ API are
+    self-consistent with the internal python API.
+    We generate the "truth" results with the python API but
+    the main test produces the results file by running the
+    executable compiled from main.cpp. This future-proofs
+    the test - we only care that the two routes are equivalent.
+    """
         if config['update']:
             # Generate the results file with internal python API
             openmc.run(openmc_exec=config['exe'], event_based=config['event'])
         elif config['mpi']:
             mpi_args = [config['mpiexec'], '-n', config['mpi_np']]
+            # Run main cpp executable with MPI
             openmc.run(openmc_exec=self.executable,
                        mpi_args=mpi_args,
                        event_based=config['event'])
         else:
+            # Run main cpp executable
             openmc.run(openmc_exec=self.executable,
                        event_based=config['event'])
 

From 88eb73688486c03c5960369bac2c911e543f581a Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 27 May 2022 06:55:55 -0500
Subject: [PATCH 0356/2654] Respond to @pshriwise comment on #2074

---
 openmc/plots.py | 5 +++--
 1 file changed, 3 insertions(+), 2 deletions(-)

diff --git a/openmc/plots.py b/openmc/plots.py
index a1933cb5c..b22ee9125 100644
--- a/openmc/plots.py
+++ b/openmc/plots.py
@@ -637,9 +637,10 @@ class Plot(IDManagerMixin):
                 color = _SVG_COLORS[color.lower()]
             subelement.text = ' '.join(str(x) for x in color)
 
-        # Helper function to handle either int or Cell/Material
+        # Helper function that returns the domain ID given either a
+        # Cell/Material object or the domain ID itself
         def get_id(domain):
-            return getattr(domain, 'id', domain)
+            return domain if isinstance(domain, Integral) else domain.id
 
         if self._colors:
             for domain, color in sorted(self._colors.items(),

From bfa4b575b62b3f6be6e51ebc763384b53a0fb163 Mon Sep 17 00:00:00 2001
From: helen-brooks <helen.brooks@ukaea.uk>
Date: Tue, 31 May 2022 09:14:51 +0100
Subject: [PATCH 0357/2654] Forgot the indent on docstring

---
 tests/regression_tests/dagmc/external/test.py | 16 ++++++++--------
 1 file changed, 8 insertions(+), 8 deletions(-)

diff --git a/tests/regression_tests/dagmc/external/test.py b/tests/regression_tests/dagmc/external/test.py
index 2671f9a84..93123ae1e 100644
--- a/tests/regression_tests/dagmc/external/test.py
+++ b/tests/regression_tests/dagmc/external/test.py
@@ -101,14 +101,14 @@ class ExternalDAGMCTest(PyAPITestHarness):
         self.executable = executable
 
     def _run_openmc(self):
-    """
-    Just test if results generated with the external C++ API are
-    self-consistent with the internal python API.
-    We generate the "truth" results with the python API but
-    the main test produces the results file by running the
-    executable compiled from main.cpp. This future-proofs
-    the test - we only care that the two routes are equivalent.
-    """
+        """
+        Just test if results generated with the external C++ API are
+        self-consistent with the internal python API.
+        We generate the "truth" results with the python API but
+        the main test produces the results file by running the
+        executable compiled from main.cpp. This future-proofs
+        the test - we only care that the two routes are equivalent.
+        """
         if config['update']:
             # Generate the results file with internal python API
             openmc.run(openmc_exec=config['exe'], event_based=config['event'])

From 8fdbbd2c43ce639c8d7ef9cff3c1b2ebd0f89695 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 31 May 2022 07:32:29 -0500
Subject: [PATCH 0358/2654] Set default max_tracks to 1000

---
 docs/source/usersguide/scripts.rst | 2 +-
 man/man1/openmc.1                  | 2 +-
 src/finalize.cpp                   | 2 +-
 src/output.cpp                     | 3 ++-
 src/settings.cpp                   | 2 +-
 5 files changed, 6 insertions(+), 5 deletions(-)

diff --git a/docs/source/usersguide/scripts.rst b/docs/source/usersguide/scripts.rst
index 50d51a5b3..f2ba81605 100644
--- a/docs/source/usersguide/scripts.rst
+++ b/docs/source/usersguide/scripts.rst
@@ -47,7 +47,7 @@ flags:
 -r, --restart file     Restart a previous run from a state point or a particle
                        restart file
 -s, --threads N        Run with *N* OpenMP threads
--t, --track            Write tracks for all particles
+-t, --track            Write tracks for all particles (up to max_tracks)
 -v, --version          Show version information
 -h, --help             Show help message
 
diff --git a/man/man1/openmc.1 b/man/man1/openmc.1
index 460dbd358..6310750a2 100644
--- a/man/man1/openmc.1
+++ b/man/man1/openmc.1
@@ -34,7 +34,7 @@ Restart a previous run from a state point or a particle restart file named
 Use \fIN\fP OpenMP threads.
 .TP
 .B "\-t\fR, \fP\-\-track"
-Write tracks for all particles.
+Write tracks for all particles (up to max_tracks).
 .TP
 .B "\-v\fR, \fP\-\-version"
 Show version information.
diff --git a/src/finalize.cpp b/src/finalize.cpp
index 812483368..0c2c62310 100644
--- a/src/finalize.cpp
+++ b/src/finalize.cpp
@@ -85,7 +85,7 @@ int openmc_finalize()
   settings::material_cell_offsets = true;
   settings::max_particles_in_flight = 100000;
   settings::max_splits = 1000;
-  settings::max_tracks = std::numeric_limits<int>::max();
+  settings::max_tracks = 1000;
   settings::n_inactive = 0;
   settings::n_particles = -1;
   settings::output_summary = true;
diff --git a/src/output.cpp b/src/output.cpp
index 6565a9e67..ece475de0 100644
--- a/src/output.cpp
+++ b/src/output.cpp
@@ -318,7 +318,8 @@ void print_usage()
       "  -r, --restart          Restart a previous run from a state point\n"
       "                         or a particle restart file\n"
       "  -s, --threads          Number of OpenMP threads\n"
-      "  -t, --track            Write tracks for all particles\n"
+      "  -t, --track            Write tracks for all particles (up to "
+      "max_tracks)\n"
       "  -e, --event            Run using event-based parallelism\n"
       "  -v, --version          Show version information\n"
       "  -h, --help             Show this message\n");
diff --git a/src/settings.cpp b/src/settings.cpp
index ecc1787c3..eb0d4936c 100644
--- a/src/settings.cpp
+++ b/src/settings.cpp
@@ -95,7 +95,7 @@ int n_log_bins {8000};
 int n_batches;
 int n_max_batches;
 int max_splits {1000};
-int max_tracks {std::numeric_limits<int>::max()};
+int max_tracks {1000};
 ResScatMethod res_scat_method {ResScatMethod::rvs};
 double res_scat_energy_min {0.01};
 double res_scat_energy_max {1000.0};

From fbfdf8227c607d231d6a18570374b059bf83ac16 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 31 May 2022 07:32:49 -0500
Subject: [PATCH 0359/2654] Fix loop in openmc-track-to-vtk

---
 scripts/openmc-track-to-vtk | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/scripts/openmc-track-to-vtk b/scripts/openmc-track-to-vtk
index 2624ad239..3b3507974 100755
--- a/scripts/openmc-track-to-vtk
+++ b/scripts/openmc-track-to-vtk
@@ -41,7 +41,7 @@ def main():
         # Write coordinate values to points array.
         track_file = openmc.Tracks(fname)
         for track in track_file:
-            for particle in track.particles:
+            for particle in track:
                 for state in particle.states:
                     points.InsertNextPoint(state['r'])
 

From bf6e26600914320b0a5c2a4eb766d8faa01cbec8 Mon Sep 17 00:00:00 2001
From: Ethan Peterson <ethan.peterson@mit.edu>
Date: Tue, 31 May 2022 10:34:19 -0400
Subject: [PATCH 0360/2654] changed to single inheritance

---
 openmc/mesh.py | 13 ++++++-------
 1 file changed, 6 insertions(+), 7 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index d812f27ac..7f7b07879 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -126,8 +126,8 @@ class MeshBase(IDManagerMixin, ABC):
             raise ValueError(f'Unrecognized mesh type "{mesh_type}" found.')
 
 
-class StructuredMesh(ABC):
-    """A mixin for structured mesh functionality
+class StructuredMesh(MeshBase):
+    """A base class for structured mesh functionality
 
     Parameters
     ----------
@@ -194,8 +194,7 @@ class StructuredMesh(ABC):
         return (vertices[s0] + vertices[s1]) / 2
 
 
-
-class RegularMesh(StructuredMesh, MeshBase):
+class RegularMesh(StructuredMesh):
     """A regular Cartesian mesh in one, two, or three dimensions
 
     Parameters
@@ -630,7 +629,7 @@ def Mesh(*args, **kwargs):
     return RegularMesh(*args, **kwargs)
 
 
-class RectilinearMesh(MeshBase):
+class RectilinearMesh(StructuredMesh):
     """A 3D rectilinear Cartesian mesh
 
     Parameters
@@ -823,7 +822,7 @@ class RectilinearMesh(MeshBase):
         return element
 
 
-class CylindricalMesh(MeshBase):
+class CylindricalMesh(StructuredMesh):
     """A 3D cylindrical mesh
 
     Parameters
@@ -1014,7 +1013,7 @@ class CylindricalMesh(MeshBase):
         return np.multiply.outer(np.outer(V_r, V_p), V_z)
 
 
-class SphericalMesh(MeshBase):
+class SphericalMesh(StructuredMesh):
     """A 3D spherical mesh
 
     Parameters

From 6c07553b8953b5082a3f179d0d73b58f96e80851 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 31 May 2022 17:08:40 -0500
Subject: [PATCH 0361/2654] Add cell instance to particle track file (thanks
 @pshriwise for suggestion)

---
 docs/source/io_formats/track.rst              |  17 +-
 docs/source/usersguide/settings.rst           |   1 +
 include/openmc/particle_data.h                |   1 +
 openmc/tracks.py                              |   3 +-
 src/particle_data.cpp                         |   1 +
 src/track_output.cpp                          |   2 +
 .../track_output/results_true.dat             | 532 +++++++++---------
 7 files changed, 282 insertions(+), 275 deletions(-)

diff --git a/docs/source/io_formats/track.rst b/docs/source/io_formats/track.rst
index 59947ef22..a97d75e58 100644
--- a/docs/source/io_formats/track.rst
+++ b/docs/source/io_formats/track.rst
@@ -16,14 +16,15 @@ The current revision of the particle track file format is 3.0.
            - **track_<b>_<g>_<p>** (Compound type) -- Particle track information
              for source particle in batch *b*, generation *g*, and particle
              number *p*. particle. The compound type has fields ``r``, ``u``,
-             ``E``, ``time``, ``wgt``, ``cell_id``, and ``material_id``, which
-             represent the position (each coordinate in [cm]), direction, energy
-             in [eV], time in [s], weight, cell ID, and material ID,
-             respectively. When the particle is present in a cell with no
-             material assigned, the material ID is given as -1. Note that this
-             array contains information for one or more primary/secondary
-             particles originating. The starting index for each
-             primary/secondary particle is given by the ``offsets`` attribute.
+             ``E``, ``time``, ``wgt``, ``cell_id``, ``cell_instance``, and
+             ``material_id``, which represent the position (each coordinate in
+             [cm]), direction, energy in [eV], time in [s], weight, cell ID,
+             cell instance, and material ID, respectively. When the particle is
+             present in a cell with no material assigned, the material ID is
+             given as -1. Note that this array contains information for one or
+             more primary/secondary particles originating. The starting index
+             for each primary/secondary particle is given by the ``offsets``
+             attribute.
 
              :Attributes: - **n_particles** (*int*) -- Number of
                             primary/secondary particles for the source history.
diff --git a/docs/source/usersguide/settings.rst b/docs/source/usersguide/settings.rst
index f73967ad9..336982ac6 100644
--- a/docs/source/usersguide/settings.rst
+++ b/docs/source/usersguide/settings.rst
@@ -594,6 +594,7 @@ The full list of fields is as follows:
   :time: Time in [s]
   :wgt: Weight
   :cell_id: Cell ID
+  :cell_instance: Cell instance
   :material_id: Material ID
 
 Both the :class:`~openmc.Tracks` and :class:`~openmc.Track` classes have a
diff --git a/include/openmc/particle_data.h b/include/openmc/particle_data.h
index 434d58c23..d3d00571a 100644
--- a/include/openmc/particle_data.h
+++ b/include/openmc/particle_data.h
@@ -64,6 +64,7 @@ struct TrackState {
   double time {0.0};    //!< Time in [s]
   double wgt {1.0};     //!< Weight
   int cell_id;          //!< Cell ID
+  int cell_instance;    //!< Cell instance
   int material_id {-1}; //!< Material ID (default value indicates void)
 };
 
diff --git a/openmc/tracks.py b/openmc/tracks.py
index b8b479cc6..e9097e8ee 100644
--- a/openmc/tracks.py
+++ b/openmc/tracks.py
@@ -19,7 +19,8 @@ states : numpy.ndarray
     Structured array containing each state of the particle. The structured array
     contains the following fields: ``r`` (position; each direction in [cm]),
     ``u`` (direction), ``E`` (energy in [eV]), ``time`` (time in [s]), ``wgt``
-    (weight), ``cell_id`` (cell ID) , and ``material_id`` (material ID).
+    (weight), ``cell_id`` (cell ID) , ``cell_instance`` (cell instance), and
+    ``material_id`` (material ID).
 
 """
 def _particle_track_repr(self):
diff --git a/src/particle_data.cpp b/src/particle_data.cpp
index 4206d9cd9..a2be72084 100644
--- a/src/particle_data.cpp
+++ b/src/particle_data.cpp
@@ -64,6 +64,7 @@ TrackState ParticleData::get_track_state() const
   state.time = this->time();
   state.wgt = this->wgt();
   state.cell_id = model::cells[this->lowest_coord().cell]->id_;
+  state.cell_instance = this->cell_instance();
   if (this->material() != MATERIAL_VOID) {
     state.material_id = model::materials[material()]->id_;
   }
diff --git a/src/track_output.cpp b/src/track_output.cpp
index f74920bbe..5c1436de7 100644
--- a/src/track_output.cpp
+++ b/src/track_output.cpp
@@ -73,6 +73,8 @@ void open_track_file()
   H5Tinsert(track_dtype, "wgt", HOFFSET(TrackState, wgt), H5T_NATIVE_DOUBLE);
   H5Tinsert(
     track_dtype, "cell_id", HOFFSET(TrackState, cell_id), H5T_NATIVE_INT);
+  H5Tinsert(track_dtype, "cell_instance", HOFFSET(TrackState, cell_instance),
+    H5T_NATIVE_INT);
   H5Tinsert(track_dtype, "material_id", HOFFSET(TrackState, material_id),
     H5T_NATIVE_INT);
   H5Tclose(postype);
diff --git a/tests/regression_tests/track_output/results_true.dat b/tests/regression_tests/track_output/results_true.dat
index d36aee6ed..756226d10 100644
--- a/tests/regression_tests/track_output/results_true.dat
+++ b/tests/regression_tests/track_output/results_true.dat
@@ -1,266 +1,266 @@
-ParticleType.NEUTRON [((-9.663085e-01, -6.616522e-01, -9.863690e-01), (-7.513921e-01, 4.140970e-01, 5.137447e-01), 5.293873e+06, 0.000000e+00, 1.000000e+00, 23, 1)
- ((-1.281491e+00, -4.879529e-01, -7.708709e-01), (-7.513921e-01, 4.140970e-01, 5.137447e-01), 5.293873e+06, 1.323629e-10, 1.000000e+00, 22, 3)
- ((-1.368452e+00, -4.400285e-01, -7.114141e-01), (-7.513921e-01, 4.140970e-01, 5.137447e-01), 5.293873e+06, 1.688824e-10, 1.000000e+00, 21, 2)
- ((-2.150539e+00, -9.015151e-03, -1.766823e-01), (-7.513921e-01, 4.140970e-01, 5.137447e-01), 5.293873e+06, 4.973246e-10, 1.000000e+00, 22, 3)
- ((-2.237499e+00, 3.890922e-02, -1.172255e-01), (-7.513921e-01, 4.140970e-01, 5.137447e-01), 5.293873e+06, 5.338441e-10, 1.000000e+00, 23, 1)
- ((-2.453640e+00, 1.580257e-01, 3.055504e-02), (-7.513921e-01, 4.140970e-01, 5.137447e-01), 5.293873e+06, 6.246136e-10, 1.000000e+00, 23, 1)
- ((-2.767485e+00, 3.309877e-01, 2.451383e-01), (-7.513921e-01, 4.140970e-01, 5.137447e-01), 5.293873e+06, 7.564146e-10, 1.000000e+00, 22, 3)
- ((-2.825099e+00, 3.627392e-01, 2.845305e-01), (-6.842434e-01, 3.658561e-01, 6.308409e-01), 5.292729e+06, 7.806100e-10, 1.000000e+00, 22, 3)
- ((-3.274427e+00, 6.029890e-01, 6.987901e-01), (-6.842434e-01, 3.658561e-01, 6.308409e-01), 5.292729e+06, 9.878481e-10, 1.000000e+00, 23, 1)
- ((-3.676327e+00, 8.178800e-01, 1.069324e+00), (-6.842434e-01, 3.658561e-01, 6.308409e-01), 5.292729e+06, 1.173212e-09, 1.000000e+00, 23, 1)
- ((-4.089400e+00, 1.038745e+00, 1.450158e+00), (-6.842434e-01, 3.658561e-01, 6.308409e-01), 5.292729e+06, 1.363728e-09, 1.000000e+00, 23, 1)
- ((-4.456639e+00, 1.235102e+00, 1.788735e+00), (-6.842434e-01, 3.658561e-01, 6.308409e-01), 5.292729e+06, 1.533105e-09, 1.000000e+00, 22, 3)
- ((-4.536974e+00, 1.278056e+00, 1.862800e+00), (-6.842434e-01, 3.658561e-01, 6.308409e-01), 5.292729e+06, 1.570157e-09, 1.000000e+00, 21, 2)
- ((-5.410401e+00, 1.745067e+00, 2.668060e+00), (-6.842434e-01, 3.658561e-01, 6.308409e-01), 5.292729e+06, 1.972998e-09, 1.000000e+00, 22, 3)
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+ ((1.229354e+01, -1.112958e+01, 8.023945e+00), (-6.892797e-01, 5.508903e-01, 4.705458e-01), 2.006774e+00, 4.548748e-05, 1.000000e+00, 23, 2522, 1)
+ ((1.226820e+01, -1.110933e+01, 8.041241e+00), (-6.892797e-01, 5.508903e-01, 4.705458e-01), 2.006774e+00, 4.550624e-05, 1.000000e+00, 23, 2314, 1)
+ ((1.198501e+01, -1.088299e+01, 8.234567e+00), (-7.677533e-01, 4.569444e-01, 4.491733e-01), 1.935517e+00, 4.571593e-05, 1.000000e+00, 23, 2314, 1)
+ ((1.156403e+01, -1.063244e+01, 8.480859e+00), (-7.677533e-01, 4.569444e-01, 4.491733e-01), 1.935517e+00, 4.600087e-05, 1.000000e+00, 23, 2329, 1)
+ ((1.150264e+01, -1.059590e+01, 8.516776e+00), (-7.780064e-01, -9.937785e-02, 6.203467e-01), 1.893413e+00, 4.604243e-05, 1.000000e+00, 23, 2329, 1)
+ ((1.121659e+01, -1.063244e+01, 8.744860e+00), (-7.780064e-01, -9.937785e-02, 6.203467e-01), 1.893413e+00, 4.623561e-05, 1.000000e+00, 23, 2314, 1)
+ ((1.063244e+01, -1.070706e+01, 9.210632e+00), (-7.780064e-01, -9.937785e-02, 6.203467e-01), 1.893413e+00, 4.663011e-05, 1.000000e+00, 23, 2313, 1)
+ ((1.035391e+01, -1.074263e+01, 9.432717e+00), (-4.847677e-01, -8.685325e-01, -1.032060e-01), 5.647686e-01, 4.681821e-05, 1.000000e+00, 23, 2313, 1)
+ ((1.031409e+01, -1.081397e+01, 9.424239e+00), (-4.227592e-01, -9.022601e-01, -8.486053e-02), 5.651902e-01, 4.689723e-05, 1.000000e+00, 23, 2313, 1)
+ ((1.028497e+01, -1.087614e+01, 9.418392e+00), (1.549579e-01, -4.270887e-01, 8.908329e-01), 5.395517e-01, 4.696349e-05, 1.000000e+00, 23, 2313, 1)
+ ((1.034128e+01, -1.103135e+01, 9.742126e+00), (5.631544e-01, 4.925564e-01, 6.635098e-01), 2.637257e-01, 4.732118e-05, 1.000000e+00, 23, 2313, 1)
+ ((1.044415e+01, -1.094137e+01, 9.863334e+00), (-1.034377e-01, 7.912271e-01, 6.027108e-01), 1.474934e-01, 4.757836e-05, 1.000000e+00, 23, 2313, 1)
+ ((1.043959e+01, -1.090643e+01, 9.889950e+00), (1.163182e-01, 9.160889e-01, -3.837331e-01), 1.522434e-01, 4.766149e-05, 1.000000e+00, 23, 2313, 1)
+ ((1.045733e+01, -1.076664e+01, 9.831395e+00), (-8.136862e-01, 9.805444e-02, -5.729748e-01), 3.341488e-02, 4.794423e-05, 1.000000e+00, 23, 2313, 1)
+ ((1.044231e+01, -1.076483e+01, 9.820815e+00), (-8.437241e-01, 5.222731e-01, -1.239373e-01), 3.874838e-02, 4.801727e-05, 1.000000e+00, 23, 2313, 1)
+ ((1.028725e+01, -1.066884e+01, 9.798037e+00), (-8.066297e-01, 3.960430e-01, -4.387465e-01), 3.989754e-02, 4.869227e-05, 1.000000e+00, 23, 2313, 1)
+ ((1.021310e+01, -1.063244e+01, 9.757708e+00), (-8.066297e-01, 3.960430e-01, -4.387465e-01), 3.989754e-02, 4.902498e-05, 1.000000e+00, 23, 2328, 1)
+ ((1.012717e+01, -1.059025e+01, 9.710967e+00), (-4.762033e-01, 8.377852e-01, -2.671075e-01), 3.271721e-02, 4.941058e-05, 1.000000e+00, 23, 2328, 1)
+ ((1.001043e+01, -1.038486e+01, 9.645483e+00), (-4.762033e-01, 8.377852e-01, -2.671075e-01), 3.271721e-02, 5.039049e-05, 1.000000e+00, 22, 2328, 3)
+ ((9.971285e+00, -1.031600e+01, 9.623530e+00), (5.437395e-01, -6.104117e-01, -5.759730e-01), 2.765456e-02, 5.071901e-05, 1.000000e+00, 22, 2328, 3)
+ ((1.002723e+01, -1.037881e+01, 9.564267e+00), (5.437395e-01, -6.104117e-01, -5.759730e-01), 2.765456e-02, 5.116633e-05, 1.000000e+00, 23, 2328, 1)
+ ((1.025152e+01, -1.063060e+01, 9.326683e+00), (-8.159392e-01, -4.792697e-03, 5.781179e-01), 2.920905e-02, 5.295966e-05, 1.000000e+00, 23, 2328, 1)
+ ((1.000779e+01, -1.063203e+01, 9.499373e+00), (-6.486477e-01, -4.621598e-01, -6.047020e-01), 2.383638e-02, 5.422329e-05, 1.000000e+00, 23, 2328, 1)
+ ((1.000721e+01, -1.063244e+01, 9.498835e+00), (-6.486477e-01, -4.621598e-01, -6.047020e-01), 2.383638e-02, 5.422746e-05, 1.000000e+00, 23, 2313, 1)
+ ((9.852478e+00, -1.074269e+01, 9.354584e+00), (-6.686452e-01, -2.988396e-01, 6.808880e-01), 2.993224e-02, 5.534454e-05, 1.000000e+00, 23, 2313, 1)
+ ((9.765042e+00, -1.078177e+01, 9.443621e+00), (7.712484e-01, -5.215773e-01, 3.648739e-01), 3.590785e-02, 5.589099e-05, 1.000000e+00, 23, 2313, 1)
+ ((9.798992e+00, -1.080472e+01, 9.459682e+00), (-4.563170e-01, 8.081811e-01, -3.723144e-01), 2.674168e-02, 5.605894e-05, 1.000000e+00, 23, 2313, 1)
+ ((9.792857e+00, -1.079386e+01, 9.454677e+00), (-9.080336e-01, 4.172659e-01, 3.693418e-02), 9.753404e-03, 5.611838e-05, 1.000000e+00, 23, 2313, 1)
+ ((9.653805e+00, -1.072996e+01, 9.460332e+00), (-3.727950e-01, 2.889342e-01, -8.817828e-01), 1.781716e-02, 5.723944e-05, 1.000000e+00, 23, 2313, 1)
+ ((9.628677e+00, -1.071048e+01, 9.400895e+00), (-6.406523e-01, 7.657269e-01, -5.680598e-02), 1.764425e-02, 5.760453e-05, 1.000000e+00, 23, 2313, 1)
+ ((9.563380e+00, -1.063244e+01, 9.395105e+00), (-6.406523e-01, 7.657269e-01, -5.680598e-02), 1.764425e-02, 5.815928e-05, 1.000000e+00, 23, 2328, 1)
+ ((9.411305e+00, -1.045068e+01, 9.381621e+00), (3.205568e-01, -1.311309e-02, -9.471385e-01), 2.153422e-02, 5.945128e-05, 1.000000e+00, 23, 2328, 1)
+ ((9.860026e+00, -1.046903e+01, 8.055798e+00), (6.278124e-01, 1.023095e-01, -7.716115e-01), 2.013742e-02, 6.634788e-05, 1.000000e+00, 23, 2328, 1)
+ ((1.007604e+01, -1.043383e+01, 7.790303e+00), (6.790346e-01, 5.167838e-01, 5.213891e-01), 1.340865e-02, 6.810089e-05, 1.000000e+00, 23, 2328, 1)
+ ((1.008869e+01, -1.042421e+01, 7.800011e+00), (2.792456e-01, 1.367953e-01, 9.504257e-01), 8.576635e-03, 6.821715e-05, 1.000000e+00, 23, 2328, 1)
+ ((1.017046e+01, -1.038415e+01, 8.078330e+00), (-9.462370e-01, 3.185163e-01, 5.641780e-02), 1.119274e-01, 7.050324e-05, 1.000000e+00, 23, 2328, 1)
+ ((1.008276e+01, -1.035463e+01, 8.083559e+00), (-9.462370e-01, 3.185163e-01, 5.641780e-02), 1.119274e-01, 7.070353e-05, 1.000000e+00, 22, 2328, 3)
+ ((9.952201e+00, -1.031068e+01, 8.091343e+00), (-9.462370e-01, 3.185163e-01, 5.641780e-02), 1.119274e-01, 7.100170e-05, 1.000000e+00, 21, 2328, 2)
+ ((9.404929e+00, -1.012646e+01, 8.123973e+00), (-9.462370e-01, 3.185163e-01, 5.641780e-02), 1.119274e-01, 7.225157e-05, 1.000000e+00, 22, 2328, 3)
+ ((9.274369e+00, -1.008251e+01, 8.131758e+00), (-9.462370e-01, 3.185163e-01, 5.641780e-02), 1.119274e-01, 7.254974e-05, 1.000000e+00, 23, 2328, 1)
+ ((9.126730e+00, -1.003281e+01, 8.140560e+00), (-8.389978e-01, -2.248732e-01, 4.954945e-01), 1.164832e-01, 7.288692e-05, 1.000000e+00, 23, 2328, 1)
+ ((8.996680e+00, -1.006767e+01, 8.217365e+00), (-8.389978e-01, -2.248732e-01, 4.954945e-01), 1.164832e-01, 7.321528e-05, 1.000000e+00, 23, 2327, 1)
+ ((8.694758e+00, -1.014859e+01, 8.395674e+00), (5.156148e-01, 7.316558e-01, 4.458937e-01), 1.391972e-01, 7.397758e-05, 1.000000e+00, 23, 2327, 1)
+ ((8.996680e+00, -9.720167e+00, 8.656770e+00), (5.156148e-01, 7.316558e-01, 4.458937e-01), 1.391972e-01, 7.511228e-05, 1.000000e+00, 23, 2328, 1)
+ ((9.263031e+00, -9.342216e+00, 8.887105e+00), (5.734531e-01, -5.017666e-01, 6.475970e-01), 9.798082e-02, 7.611330e-05, 1.000000e+00, 23, 2328, 1)
+ ((9.334809e+00, -9.405021e+00, 8.968164e+00), (5.419546e-03, -7.721039e-01, -6.354732e-01), 1.234091e-01, 7.640240e-05, 1.000000e+00, 23, 2328, 1)
+ ((9.335117e+00, -9.448857e+00, 8.932084e+00), (5.419546e-03, -7.721039e-01, -6.354732e-01), 1.234091e-01, 7.651925e-05, 1.000000e+00, 22, 2328, 3)
+ ((9.336345e+00, -9.623801e+00, 8.788098e+00), (5.419546e-03, -7.721039e-01, -6.354732e-01), 1.234091e-01, 7.698556e-05, 1.000000e+00, 21, 2328, 2)
+ ((9.339070e+00, -1.001201e+01, 8.468584e+00), (5.419546e-03, -7.721039e-01, -6.354732e-01), 1.234091e-01, 7.802034e-05, 1.000000e+00, 22, 2328, 3)
+ ((9.340298e+00, -1.018696e+01, 8.324598e+00), (5.419546e-03, -7.721039e-01, -6.354732e-01), 1.234091e-01, 7.848665e-05, 1.000000e+00, 23, 2328, 1)
+ ((9.343193e+00, -1.059945e+01, 7.985097e+00), (1.798796e-01, 3.522536e-02, -9.830577e-01), 1.283272e-01, 7.958616e-05, 1.000000e+00, 23, 2328, 1)
+ ((9.397753e+00, -1.058877e+01, 7.686922e+00), (6.459563e-01, 7.279465e-03, -7.633397e-01), 1.319449e-01, 8.019832e-05, 1.000000e+00, 23, 2328, 1)
+ ((9.462343e+00, -1.058804e+01, 7.610595e+00), (-5.748716e-01, 5.760301e-01, -5.811299e-01), 8.880732e-02, 8.039733e-05, 1.000000e+00, 23, 2328, 1)
+ ((9.287877e+00, -1.041322e+01, 7.434230e+00), (-4.932135e-03, 1.668926e-01, 9.859627e-01), 3.503028e-02, 8.113361e-05, 1.000000e+00, 23, 2328, 1)
+ ((9.286930e+00, -1.038117e+01, 7.623600e+00), (-9.325544e-02, -9.933000e-01, -6.825369e-02), 3.173764e-02, 8.187553e-05, 1.000000e+00, 23, 2328, 1)
+ ((9.283901e+00, -1.041342e+01, 7.621384e+00), (-4.235208e-01, -5.129112e-01, 7.466942e-01), 4.258127e-02, 8.200731e-05, 1.000000e+00, 23, 2328, 1)
+ ((9.264517e+00, -1.043690e+01, 7.655560e+00), (-7.165846e-01, 3.926265e-01, 5.764988e-01), 4.485063e-02, 8.216767e-05, 1.000000e+00, 23, 2328, 1)
+ ((9.256348e+00, -1.043242e+01, 7.662132e+00), (1.703748e-01, -9.175599e-01, -3.592441e-01), 3.521226e-02, 8.220659e-05, 1.000000e+00, 23, 2328, 1)
+ ((9.284015e+00, -1.058143e+01, 7.603793e+00), (3.963415e-01, -8.051509e-01, 4.411865e-01), 2.970280e-02, 8.283227e-05, 1.000000e+00, 23, 2328, 1)
+ ((9.309126e+00, -1.063244e+01, 7.631745e+00), (3.963415e-01, -8.051509e-01, 4.411865e-01), 2.970280e-02, 8.309804e-05, 1.000000e+00, 23, 2313, 1)
+ ((9.317824e+00, -1.065011e+01, 7.641427e+00), (7.190682e-01, 8.976507e-02, -6.891177e-01), 2.867417e-02, 8.319011e-05, 1.000000e+00, 23, 2313, 1)
+ ((9.459378e+00, -1.063244e+01, 7.505770e+00), (7.190682e-01, 8.976507e-02, -6.891177e-01), 2.867417e-02, 8.403060e-05, 1.000000e+00, 23, 2328, 1)
+ ((9.492454e+00, -1.062831e+01, 7.474071e+00), (4.092619e-03, -9.482095e-01, -3.176193e-01), 4.656141e-02, 8.422700e-05, 1.000000e+00, 23, 2328, 1)
+ ((9.492472e+00, -1.063244e+01, 7.472688e+00), (4.092619e-03, -9.482095e-01, -3.176193e-01), 4.656141e-02, 8.424159e-05, 1.000000e+00, 23, 2313, 1)
+ ((9.492761e+00, -1.069927e+01, 7.450302e+00), (9.457151e-01, -1.928731e-01, 2.615777e-01), 4.542312e-02, 8.447773e-05, 1.000000e+00, 23, 2313, 1)
+ ((9.890524e+00, -1.078039e+01, 7.560320e+00), (7.849118e-01, -1.237812e-01, -6.071175e-01), 5.609444e-02, 8.590450e-05, 1.000000e+00, 23, 2313, 1)
+ ((1.004645e+01, -1.080498e+01, 7.439717e+00), (7.849118e-01, -1.237812e-01, -6.071175e-01), 5.609444e-02, 8.651090e-05, 0.000000e+00, 23, 2313, 1)]

From ce035884ac28e7c450d9ee2d1e182d2794d73508 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 2 Jun 2022 15:48:53 -0500
Subject: [PATCH 0362/2654] Add test for heating by nuclide

---
 tests/unit_tests/test_heating_by_nuclide.py | 57 +++++++++++++++++++++
 1 file changed, 57 insertions(+)
 create mode 100644 tests/unit_tests/test_heating_by_nuclide.py

diff --git a/tests/unit_tests/test_heating_by_nuclide.py b/tests/unit_tests/test_heating_by_nuclide.py
new file mode 100644
index 000000000..b34d7dd94
--- /dev/null
+++ b/tests/unit_tests/test_heating_by_nuclide.py
@@ -0,0 +1,57 @@
+import openmc
+import pytest
+
+from tests.testing_harness import config
+
+
+@pytest.fixture
+def model():
+    # Create simple sphere model
+    model = openmc.Model()
+    mat = openmc.Material()
+    mat.add_nuclide('U235', 1.0)
+    mat.add_nuclide('H1', 1.0)
+    mat.set_density('g/cm3', 5.0)
+    sph = openmc.Sphere(r=10.0, boundary_type='vacuum')
+    cell = openmc.Cell(fill=mat, region=-sph)
+    model.geometry = openmc.Geometry([cell])
+    model.settings.particles = 1000
+    model.settings.inactive = 0
+    model.settings.batches = 5
+    model.settings.photon_transport = True
+
+    # Add two tallies, one with heating by nuclide and one with total heating
+    particle_filter = openmc.ParticleFilter(['neutron', 'photon'])
+    heating_by_nuclide = openmc.Tally()
+    heating_by_nuclide.filters = [particle_filter]
+    heating_by_nuclide.nuclides = ['U235', 'H1']
+    heating_by_nuclide.scores = ['heating']
+
+    heating_total = openmc.Tally()
+    heating_total.filters = [particle_filter]
+    heating_total.scores = ['heating']
+    model.tallies.extend([heating_by_nuclide, heating_total])
+
+    return model
+
+
+def test_heating_by_nuclide(model, run_in_tmpdir):
+    # If running in MPI mode, setup proper keyword arguments for run()
+    kwargs = {'openmc_exec': config['exe']}
+    if config['mpi']:
+        kwargs['mpi_args'] = [config['mpiexec'], '-n', config['mpi_np']]
+    sp_path = model.run(**kwargs)
+
+    # Get tallies from resulting statepoint
+    with openmc.StatePoint(sp_path) as sp:
+        heating_by_nuclide = sp.tallies[model.tallies[0].id]
+        heating_total = sp.tallies[model.tallies[1].id]
+
+    for particle in heating_by_nuclide.filters[0].bins:
+        # Get slice of each tally corresponding to a single particle
+        kwargs = {'filters': [openmc.ParticleFilter], 'filter_bins': [(particle,)]}
+        particle_slice_by_nuclide = heating_by_nuclide.get_values(**kwargs)
+        particle_slice_total = heating_total.get_values(**kwargs)
+
+        # Summing over nuclides should equal total
+        assert particle_slice_by_nuclide.sum() == pytest.approx(particle_slice_total.sum())

From daf7bc4955d5d52dd426dd6caa88e324dc37eb82 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 2 Jun 2022 14:48:16 -0500
Subject: [PATCH 0363/2654] Break up photon heating by nuclide

---
 src/tallies/tally_scoring.cpp | 25 +++++++++++++++----------
 1 file changed, 15 insertions(+), 10 deletions(-)

diff --git a/src/tallies/tally_scoring.cpp b/src/tallies/tally_scoring.cpp
index c9930ee39..7decf58a4 100644
--- a/src/tallies/tally_scoring.cpp
+++ b/src/tallies/tally_scoring.cpp
@@ -963,18 +963,23 @@ void score_general_ce_nonanalog(Particle& p, int i_tally, int start_index,
         score = score_neutron_heating(
           p, tally, flux, HEATING, i_nuclide, atom_density);
       } else {
-        // The energy deposited is the difference between the pre-collision and
-        // post-collision energy...
-        score = E - p.E();
+        if (i_nuclide < 0 || i_nuclide == p.event_nuclide()) {
+          // The energy deposited is the difference between the pre-collision
+          // and post-collision energy...
+          score = E - p.E();
 
-        // ...less the energy of any secondary particles since they will be
-        // transported individually later
-        const auto& bank = p.secondary_bank();
-        for (auto it = bank.end() - p.n_bank_second(); it < bank.end(); ++it) {
-          score -= it->E;
+          // ...less the energy of any secondary particles since they will be
+          // transported individually later
+          const auto& bank = p.secondary_bank();
+          for (auto it = bank.end() - p.n_bank_second(); it < bank.end();
+               ++it) {
+            score -= it->E;
+          }
+
+          score *= p.wgt_last();
+        } else {
+          score = 0.0;
         }
-
-        score *= p.wgt_last();
       }
       break;
 

From 12d78288037cc6dd130d389d1e909cd97c97d3f7 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 2 Jun 2022 17:18:15 -0500
Subject: [PATCH 0364/2654] Update photon_production regression test result

---
 src/tallies/tally_scoring.cpp                             | 2 +-
 tests/regression_tests/photon_production/results_true.dat | 8 ++++----
 2 files changed, 5 insertions(+), 5 deletions(-)

diff --git a/src/tallies/tally_scoring.cpp b/src/tallies/tally_scoring.cpp
index 7decf58a4..68eb344af 100644
--- a/src/tallies/tally_scoring.cpp
+++ b/src/tallies/tally_scoring.cpp
@@ -963,7 +963,7 @@ void score_general_ce_nonanalog(Particle& p, int i_tally, int start_index,
         score = score_neutron_heating(
           p, tally, flux, HEATING, i_nuclide, atom_density);
       } else {
-        if (i_nuclide < 0 || i_nuclide == p.event_nuclide()) {
+        if (i_nuclide == -1 || i_nuclide == p.event_nuclide()) {
           // The energy deposited is the difference between the pre-collision
           // and post-collision energy...
           score = E - p.E();
diff --git a/tests/regression_tests/photon_production/results_true.dat b/tests/regression_tests/photon_production/results_true.dat
index 03fb80b81..398deeed8 100644
--- a/tests/regression_tests/photon_production/results_true.dat
+++ b/tests/regression_tests/photon_production/results_true.dat
@@ -67,8 +67,8 @@ tally 3:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-1.764573E+05
-3.113718E+10
+0.000000E+00
+0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -79,8 +79,8 @@ tally 3:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-7.691658E+03
-5.916160E+07
+0.000000E+00
+0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00

From 0b77cc7edc6ec1d83a45e10a4beb2ebbf0aba34b Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 28 Apr 2022 17:11:21 -0500
Subject: [PATCH 0365/2654] Allow normal instantiation of ResultsList (instead
 of from_hdf5)

---
 docs/source/usersguide/depletion.rst          |  2 +-
 .../pincell_depletion/restart_depletion.py    |  4 +--
 examples/pincell_depletion/run_depletion.py   |  2 +-
 openmc/deplete/abc.py                         |  2 +-
 openmc/deplete/results.py                     |  7 +++-
 openmc/deplete/results_list.py                | 36 ++++++++++++-------
 tests/regression_tests/deplete/test.py        |  6 ++--
 tests/unit_tests/test_deplete_activation.py   |  4 +--
 tests/unit_tests/test_deplete_integrator.py   |  5 ++-
 tests/unit_tests/test_deplete_restart.py      | 10 +++---
 tests/unit_tests/test_deplete_resultslist.py  |  2 +-
 tests/unit_tests/test_transfer_volumes.py     |  2 +-
 12 files changed, 48 insertions(+), 34 deletions(-)

diff --git a/docs/source/usersguide/depletion.rst b/docs/source/usersguide/depletion.rst
index 78a12c4ca..e3f4017f2 100644
--- a/docs/source/usersguide/depletion.rst
+++ b/docs/source/usersguide/depletion.rst
@@ -53,7 +53,7 @@ The coupled transport-depletion problem is executed, and once it is done a
 easy retrieval of k-effective, nuclide concentrations, and reaction rates over
 time::
 
-    results = openmc.deplete.ResultsList.from_hdf5("depletion_results.h5")
+    results = openmc.deplete.ResultsList("depletion_results.h5")
     time, keff = results.get_keff()
 
 Note that the coupling between the transport solver and the transmutation solver
diff --git a/examples/pincell_depletion/restart_depletion.py b/examples/pincell_depletion/restart_depletion.py
index 72209d2ab..45bb4343d 100644
--- a/examples/pincell_depletion/restart_depletion.py
+++ b/examples/pincell_depletion/restart_depletion.py
@@ -12,7 +12,7 @@ with openmc.StatePoint(statepoint) as sp:
     geometry = sp.summary.geometry
 
 # Load previous depletion results
-previous_results = openmc.deplete.ResultsList.from_hdf5("depletion_results.h5")
+previous_results = openmc.deplete.ResultsList("depletion_results.h5")
 
 ###############################################################################
 #                      Transport calculation settings
@@ -56,7 +56,7 @@ integrator.integrate()
 ###############################################################################
 
 # Open results file
-results = openmc.deplete.ResultsList.from_hdf5("depletion_results.h5")
+results = openmc.deplete.ResultsList("depletion_results.h5")
 
 # Obtain K_eff as a function of time
 time, keff = results.get_keff(time_units='d')
diff --git a/examples/pincell_depletion/run_depletion.py b/examples/pincell_depletion/run_depletion.py
index 53b0614d1..727039a29 100644
--- a/examples/pincell_depletion/run_depletion.py
+++ b/examples/pincell_depletion/run_depletion.py
@@ -101,7 +101,7 @@ integrator.integrate()
 ###############################################################################
 
 # Open results file
-results = openmc.deplete.ResultsList.from_hdf5("depletion_results.h5")
+results = openmc.deplete.ResultsList("depletion_results.h5")
 
 # Obtain K_eff as a function of time
 time, keff = results.get_keff(time_units='d')
diff --git a/openmc/deplete/abc.py b/openmc/deplete/abc.py
index 0d1e8ad41..7c3fc42f7 100644
--- a/openmc/deplete/abc.py
+++ b/openmc/deplete/abc.py
@@ -842,7 +842,7 @@ class Integrator(ABC):
         k = ufloat(res.k[0, 0], res.k[0, 1])
 
         # Scale reaction rates by ratio of source rates
-        rates *= source_rate / res.source_rate[0]
+        rates *= source_rate / res.source_rate
         return bos_conc, OperatorResult(k, rates)
 
     def _get_start_data(self):
diff --git a/openmc/deplete/results.py b/openmc/deplete/results.py
index 3916fb4d7..9ff07b049 100644
--- a/openmc/deplete/results.py
+++ b/openmc/deplete/results.py
@@ -69,6 +69,11 @@ class Results:
 
         self.data = None
 
+    def __repr__(self):
+        t = self.time[0]
+        dt = self.time[1] - self.time[0]
+        return f"<Results: t={t}, dt={dt}, source={self.source_rate}>"
+
     def __getitem__(self, pos):
         """Retrieves an item from results.
 
@@ -406,7 +411,7 @@ class Results:
         results.data = number_dset[step, :, :, :]
         results.k = eigenvalues_dset[step, :]
         results.time = time_dset[step, :]
-        results.source_rate = source_rate_dset[step, :]
+        results.source_rate = source_rate_dset[step, 0]
 
         if "depletion time" in handle:
             proc_time_dset = handle["/depletion time"]
diff --git a/openmc/deplete/results_list.py b/openmc/deplete/results_list.py
index f2f2be0ab..843e3aec6 100644
--- a/openmc/deplete/results_list.py
+++ b/openmc/deplete/results_list.py
@@ -29,9 +29,24 @@ def _get_time_as(seconds, units):
 class ResultsList(list):
     """A list of openmc.deplete.Results objects
 
-    It is recommended to use :meth:`from_hdf5` over
-    direct creation.
+    Parameters
+    ----------
+    filename : str
+        Path to depletion result file
+
     """
+    def __init__(self, filename):
+        with h5py.File(str(filename), "r") as fh:
+            cv.check_filetype_version(fh, 'depletion results', VERSION_RESULTS[0])
+            data = []
+
+            # Get number of results stored
+            n = fh["number"][...].shape[0]
+
+            for i in range(n):
+                data.append(Results.from_hdf5(fh, i))
+        super().__init__(data)
+
 
     @classmethod
     def from_hdf5(cls, filename):
@@ -46,17 +61,14 @@ class ResultsList(list):
         -------
         new : ResultsList
             New instance of depletion results
+
         """
-        with h5py.File(str(filename), "r") as fh:
-            cv.check_filetype_version(fh, 'depletion results', VERSION_RESULTS[0])
-            new = cls()
-
-            # Get number of results stored
-            n = fh["number"][...].shape[0]
-
-            for i in range(n):
-                new.append(Results.from_hdf5(fh, i))
-        return new
+        warn(
+            "The from_hdf5(...) method is no longer necessary and will be removed "
+            "in a future version of OpenMC. Use ResultsList(...) instead.",
+            FutureWarning
+        )
+        return cls(filename)
 
     def get_atoms(self, mat, nuc, nuc_units="atoms", time_units="s"):
         """Get number of nuclides over time from a single material
diff --git a/tests/regression_tests/deplete/test.py b/tests/regression_tests/deplete/test.py
index 4f0e738a3..91f18667e 100644
--- a/tests/regression_tests/deplete/test.py
+++ b/tests/regression_tests/deplete/test.py
@@ -77,8 +77,8 @@ def test_full(run_in_tmpdir, problem, multiproc):
         return
 
     # Load the reference/test results
-    res_test = openmc.deplete.ResultsList.from_hdf5(path_test)
-    res_ref = openmc.deplete.ResultsList.from_hdf5(path_reference)
+    res_test = openmc.deplete.ResultsList(path_test)
+    res_ref = openmc.deplete.ResultsList(path_reference)
 
     # Assert same mats
     for mat in res_ref[0].mat_to_ind:
@@ -139,7 +139,7 @@ def test_depletion_results_to_material(run_in_tmpdir, problem):
     """Checks openmc.Materials objects can be created from depletion results"""
     # Load the reference/test results
     path_reference = Path(__file__).with_name('test_reference.h5')
-    res_ref = openmc.deplete.ResultsList.from_hdf5(path_reference)
+    res_ref = openmc.deplete.ResultsList(path_reference)
 
     # Firstly need to export materials.xml file for the initial simulation state
     geometry, lower_left, upper_right = problem
diff --git a/tests/unit_tests/test_deplete_activation.py b/tests/unit_tests/test_deplete_activation.py
index 2f02ec4b8..2c3e0c053 100644
--- a/tests/unit_tests/test_deplete_activation.py
+++ b/tests/unit_tests/test_deplete_activation.py
@@ -107,7 +107,7 @@ def test_activation(run_in_tmpdir, model, reaction_rate_mode, reaction_rate_opts
     integrator.integrate()
 
     # Get resulting number of atoms
-    results = openmc.deplete.ResultsList.from_hdf5('depletion_results.h5')
+    results = openmc.deplete.ResultsList('depletion_results.h5')
     _, atoms = results.get_atoms(w, "W186")
 
     assert atoms[0] == pytest.approx(n0)
@@ -155,7 +155,7 @@ def test_decay(run_in_tmpdir):
     integrator.integrate()
 
     # Get resulting number of atoms
-    results = openmc.deplete.ResultsList.from_hdf5('depletion_results.h5')
+    results = openmc.deplete.ResultsList('depletion_results.h5')
     _, atoms = results.get_atoms(mat, "Sr89")
 
     # Ensure density goes down by a factor of 2 after each half-life
diff --git a/tests/unit_tests/test_deplete_integrator.py b/tests/unit_tests/test_deplete_integrator.py
index a08d8738c..9c53ad7e2 100644
--- a/tests/unit_tests/test_deplete_integrator.py
+++ b/tests/unit_tests/test_deplete_integrator.py
@@ -103,7 +103,7 @@ def test_results_save(run_in_tmpdir):
     Results.save(op, x2, op_result2, t2, 0, 1)
 
     # Load the files
-    res = ResultsList.from_hdf5("depletion_results.h5")
+    res = ResultsList("depletion_results.h5")
 
     for i in range(stages):
         for mat_i, mat in enumerate(burn_list):
@@ -176,8 +176,7 @@ def test_integrator(run_in_tmpdir, scheme):
 
     # get expected results
 
-    res = ResultsList.from_hdf5(
-        operator.output_dir / "depletion_results.h5")
+    res = ResultsList(operator.output_dir / "depletion_results.h5")
 
     t1, y1 = res.get_atoms("1", "1")
     t2, y2 = res.get_atoms("1", "2")
diff --git a/tests/unit_tests/test_deplete_restart.py b/tests/unit_tests/test_deplete_restart.py
index 82ef05ac7..2bfcfea7d 100644
--- a/tests/unit_tests/test_deplete_restart.py
+++ b/tests/unit_tests/test_deplete_restart.py
@@ -24,8 +24,7 @@ def test_restart_predictor_cecm(run_in_tmpdir):
     openmc.deplete.PredictorIntegrator(op, dt, power).integrate()
 
     # Load the files
-    prev_res = openmc.deplete.ResultsList.from_hdf5(
-        op.output_dir / "depletion_results.h5")
+    prev_res = openmc.deplete.ResultsList(op.output_dir / "depletion_results.h5")
 
     # Re-create depletion operator and load previous results
     op = dummy_operator.DummyOperator(prev_res)
@@ -51,8 +50,7 @@ def test_restart_cecm_predictor(run_in_tmpdir):
     cecm.integrate()
 
     # Load the files
-    prev_res = openmc.deplete.ResultsList.from_hdf5(
-        op.output_dir / "depletion_results.h5")
+    prev_res = openmc.deplete.ResultsList(op.output_dir / "depletion_results.h5")
 
     # Re-create depletion operator and load previous results
     op = dummy_operator.DummyOperator(prev_res)
@@ -75,7 +73,7 @@ def test_restart(run_in_tmpdir, scheme):
     bundle.solver(operator, [0.75], 1.0).integrate()
 
     # restart
-    prev_res = openmc.deplete.ResultsList.from_hdf5(
+    prev_res = openmc.deplete.ResultsList(
         operator.output_dir / "depletion_results.h5")
     operator = dummy_operator.DummyOperator(prev_res)
 
@@ -84,7 +82,7 @@ def test_restart(run_in_tmpdir, scheme):
 
     # compare results
 
-    results = openmc.deplete.ResultsList.from_hdf5(
+    results = openmc.deplete.ResultsList(
         operator.output_dir / "depletion_results.h5")
 
     _t, y1 = results.get_atoms("1", "1")
diff --git a/tests/unit_tests/test_deplete_resultslist.py b/tests/unit_tests/test_deplete_resultslist.py
index 03e7c3eb0..2554d2188 100644
--- a/tests/unit_tests/test_deplete_resultslist.py
+++ b/tests/unit_tests/test_deplete_resultslist.py
@@ -13,7 +13,7 @@ def res():
     """Load the reference results"""
     filename = (Path(__file__).parents[1] / 'regression_tests' / 'deplete'
                 / 'test_reference.h5')
-    return openmc.deplete.ResultsList.from_hdf5(filename)
+    return openmc.deplete.ResultsList(filename)
 
 
 def test_get_atoms(res):
diff --git a/tests/unit_tests/test_transfer_volumes.py b/tests/unit_tests/test_transfer_volumes.py
index e1f3c1053..50e222b95 100644
--- a/tests/unit_tests/test_transfer_volumes.py
+++ b/tests/unit_tests/test_transfer_volumes.py
@@ -19,7 +19,7 @@ def test_transfer_volumes(run_in_tmpdir):
     PredictorIntegrator(op, dt, power).integrate()
 
     # Load the files
-    res = openmc.deplete.ResultsList.from_hdf5(op.output_dir / "depletion_results.h5")
+    res = openmc.deplete.ResultsList(op.output_dir / "depletion_results.h5")
 
     # Create a dictionary of volumes to transfer
     res[0].volume['1'] = 1.5

From aacf3c4938f2ce04ec9b75794f4a73f6bb162442 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 28 Apr 2022 17:18:00 -0500
Subject: [PATCH 0366/2654] Rename deplete.Results -> deplete.StepResult

---
 docs/source/pythonapi/deplete.rst            |  2 +-
 openmc/deplete/abc.py                        | 10 +++++-----
 openmc/deplete/results.py                    | 14 +++++++-------
 openmc/deplete/results_list.py               | 12 ++++++++----
 tests/unit_tests/test_deplete_integrator.py  |  6 +++---
 tests/unit_tests/test_deplete_resultslist.py |  2 +-
 6 files changed, 25 insertions(+), 21 deletions(-)

diff --git a/docs/source/pythonapi/deplete.rst b/docs/source/pythonapi/deplete.rst
index 383268f8b..41be2d88a 100644
--- a/docs/source/pythonapi/deplete.rst
+++ b/docs/source/pythonapi/deplete.rst
@@ -133,8 +133,8 @@ data, such as number densities and reaction rates for each material.
    AtomNumber
    OperatorResult
    ReactionRates
-   Results
    ResultsList
+   StepResult
 
 The following class and functions are used to solve the depletion equations,
 with :func:`cram.CRAM48` being the default.
diff --git a/openmc/deplete/abc.py b/openmc/deplete/abc.py
index 7c3fc42f7..7d6e33924 100644
--- a/openmc/deplete/abc.py
+++ b/openmc/deplete/abc.py
@@ -22,7 +22,7 @@ from uncertainties import ufloat
 from openmc.lib import MaterialFilter, Tally
 from openmc.checkvalue import check_type, check_greater_than
 from openmc.mpi import comm
-from .results import Results
+from .results import StepResult
 from .chain import Chain
 from .results_list import ResultsList
 from .pool import deplete
@@ -889,7 +889,7 @@ class Integrator(ABC):
                 # Remove actual EOS concentration for next step
                 conc = conc_list.pop()
 
-                Results.save(self.operator, conc_list, res_list, [t, t + dt],
+                StepResult.save(self.operator, conc_list, res_list, [t, t + dt],
                              source_rate, self._i_res + i, proc_time)
 
                 t += dt
@@ -901,7 +901,7 @@ class Integrator(ABC):
             if output and final_step:
                 print(f"[openmc.deplete] t={t} (final operator evaluation)")
             res_list = [self.operator(conc, source_rate if final_step else 0.0)]
-            Results.save(self.operator, [conc], res_list, [t, t],
+            StepResult.save(self.operator, [conc], res_list, [t, t],
                          source_rate, self._i_res + len(self), proc_time)
             self.operator.write_bos_data(len(self) + self._i_res)
 
@@ -1048,13 +1048,13 @@ class SIIntegrator(Integrator):
                 # Remove actual EOS concentration for next step
                 conc = conc_list.pop()
 
-                Results.save(self.operator, conc_list, res_list, [t, t + dt],
+                StepResult.save(self.operator, conc_list, res_list, [t, t + dt],
                              p, self._i_res + i, proc_time)
 
                 t += dt
 
             # No final simulation for SIE, use last iteration results
-            Results.save(self.operator, [conc], [res_list[-1]], [t, t],
+            StepResult.save(self.operator, [conc], [res_list[-1]], [t, t],
                          p, self._i_res + len(self), proc_time)
             self.operator.write_bos_data(self._i_res + len(self))
 
diff --git a/openmc/deplete/results.py b/openmc/deplete/results.py
index 9ff07b049..bfd165481 100644
--- a/openmc/deplete/results.py
+++ b/openmc/deplete/results.py
@@ -16,10 +16,10 @@ from .reaction_rates import ReactionRates
 VERSION_RESULTS = (1, 1)
 
 
-__all__ = ["Results"]
+__all__ = ["StepResult"]
 
 
-class Results:
+class StepResult:
     """Output of a depletion run
 
     Attributes
@@ -72,7 +72,7 @@ class Results:
     def __repr__(self):
         t = self.time[0]
         dt = self.time[1] - self.time[0]
-        return f"<Results: t={t}, dt={dt}, source={self.source_rate}>"
+        return f"<StepResult: t={t}, dt={dt}, source={self.source_rate}>"
 
     def __getitem__(self, pos):
         """Retrieves an item from results.
@@ -139,7 +139,7 @@ class Results:
         return self.data.shape[0]
 
     def allocate(self, volume, nuc_list, burn_list, full_burn_list, stages):
-        """Allocates memory of Results.
+        """Allocate memory for depletion step data
 
         Parameters
         ----------
@@ -177,10 +177,10 @@ class Results:
 
         Returns
         -------
-        Results
+        StepResult
             New results object
         """
-        new = Results()
+        new = StepResult()
         new.volume = {lm: self.volume[lm] for lm in local_materials}
         new.mat_to_ind = {mat: idx for (idx, mat) in enumerate(local_materials)}
 
@@ -485,7 +485,7 @@ class Results:
         stages = len(x)
 
         # Create results
-        results = Results()
+        results = StepResult()
         results.allocate(vol_dict, nuc_list, burn_list, full_burn_list, stages)
 
         n_mat = len(burn_list)
diff --git a/openmc/deplete/results_list.py b/openmc/deplete/results_list.py
index 843e3aec6..97170f226 100644
--- a/openmc/deplete/results_list.py
+++ b/openmc/deplete/results_list.py
@@ -6,7 +6,7 @@ from warnings import warn
 import h5py
 import numpy as np
 
-from .results import Results, VERSION_RESULTS
+from .results import StepResult, VERSION_RESULTS
 import openmc.checkvalue as cv
 from openmc.data.library import DataLibrary
 from openmc.material import Material, Materials
@@ -27,7 +27,11 @@ def _get_time_as(seconds, units):
 
 
 class ResultsList(list):
-    """A list of openmc.deplete.Results objects
+    """Results from a depletion simulation
+
+    The :class:`ResultsList` class acts as a list that stores the results from
+    each depletion step and provides extra methods for interrogating these
+    results.
 
     Parameters
     ----------
@@ -44,7 +48,7 @@ class ResultsList(list):
             n = fh["number"][...].shape[0]
 
             for i in range(n):
-                data.append(Results.from_hdf5(fh, i))
+                data.append(StepResult.from_hdf5(fh, i))
         super().__init__(data)
 
 
@@ -59,7 +63,7 @@ class ResultsList(list):
 
         Returns
         -------
-        new : ResultsList
+        ResultsList
             New instance of depletion results
 
         """
diff --git a/tests/unit_tests/test_deplete_integrator.py b/tests/unit_tests/test_deplete_integrator.py
index 9c53ad7e2..4348b8c34 100644
--- a/tests/unit_tests/test_deplete_integrator.py
+++ b/tests/unit_tests/test_deplete_integrator.py
@@ -16,7 +16,7 @@ import pytest
 
 from openmc.mpi import comm
 from openmc.deplete import (
-    ReactionRates, Results, ResultsList, OperatorResult, PredictorIntegrator,
+    ReactionRates, StepResult, ResultsList, OperatorResult, PredictorIntegrator,
     CECMIntegrator, CF4Integrator, CELIIntegrator, EPCRK4Integrator,
     LEQIIntegrator, SICELIIntegrator, SILEQIIntegrator, cram)
 
@@ -99,8 +99,8 @@ def test_results_save(run_in_tmpdir):
                   for k, rates in zip(eigvl1, rate1)]
     op_result2 = [OperatorResult(ufloat(*k), rates)
                   for k, rates in zip(eigvl2, rate2)]
-    Results.save(op, x1, op_result1, t1, 0, 0)
-    Results.save(op, x2, op_result2, t2, 0, 1)
+    StepResult.save(op, x1, op_result1, t1, 0, 0)
+    StepResult.save(op, x2, op_result2, t2, 0, 1)
 
     # Load the files
     res = ResultsList("depletion_results.h5")
diff --git a/tests/unit_tests/test_deplete_resultslist.py b/tests/unit_tests/test_deplete_resultslist.py
index 2554d2188..2a2669920 100644
--- a/tests/unit_tests/test_deplete_resultslist.py
+++ b/tests/unit_tests/test_deplete_resultslist.py
@@ -87,7 +87,7 @@ def test_get_steps(unit):
         conversion_to_seconds = 1
 
     for ix in range(times.size):
-        res = openmc.deplete.Results()
+        res = openmc.deplete.StepResult()
         res.time = times[ix:ix + 1] * conversion_to_seconds
         results.append(res)
 

From 8bfb1889b972ed31ab48da6b5c88810c8ddc38c2 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 28 Apr 2022 17:20:55 -0500
Subject: [PATCH 0367/2654] Rename deplete.ResultsList -> deplete.Results

---
 docs/source/pythonapi/deplete.rst               |  2 +-
 docs/source/usersguide/depletion.rst            |  4 ++--
 examples/pincell_depletion/restart_depletion.py |  4 ++--
 examples/pincell_depletion/run_depletion.py     |  2 +-
 openmc/deplete/abc.py                           |  8 ++++----
 openmc/deplete/operator.py                      | 12 ++++++------
 openmc/deplete/results_list.py                  | 10 +++++-----
 tests/regression_tests/deplete/test.py          |  6 +++---
 tests/unit_tests/test_deplete_activation.py     |  4 ++--
 tests/unit_tests/test_deplete_integrator.py     |  6 +++---
 tests/unit_tests/test_deplete_restart.py        |  8 ++++----
 tests/unit_tests/test_deplete_resultslist.py    |  8 ++++----
 tests/unit_tests/test_transfer_volumes.py       |  4 ++--
 13 files changed, 39 insertions(+), 39 deletions(-)

diff --git a/docs/source/pythonapi/deplete.rst b/docs/source/pythonapi/deplete.rst
index 41be2d88a..9f7d8c447 100644
--- a/docs/source/pythonapi/deplete.rst
+++ b/docs/source/pythonapi/deplete.rst
@@ -133,7 +133,7 @@ data, such as number densities and reaction rates for each material.
    AtomNumber
    OperatorResult
    ReactionRates
-   ResultsList
+   Results
    StepResult
 
 The following class and functions are used to solve the depletion equations,
diff --git a/docs/source/usersguide/depletion.rst b/docs/source/usersguide/depletion.rst
index e3f4017f2..57619611f 100644
--- a/docs/source/usersguide/depletion.rst
+++ b/docs/source/usersguide/depletion.rst
@@ -49,11 +49,11 @@ one of these functions along with the timesteps and power level::
 
 The coupled transport-depletion problem is executed, and once it is done a
 ``depletion_results.h5`` file is written. The results can be analyzed using the
-:class:`openmc.deplete.ResultsList` class. This class has methods that allow for
+:class:`openmc.deplete.Results` class. This class has methods that allow for
 easy retrieval of k-effective, nuclide concentrations, and reaction rates over
 time::
 
-    results = openmc.deplete.ResultsList("depletion_results.h5")
+    results = openmc.deplete.Results("depletion_results.h5")
     time, keff = results.get_keff()
 
 Note that the coupling between the transport solver and the transmutation solver
diff --git a/examples/pincell_depletion/restart_depletion.py b/examples/pincell_depletion/restart_depletion.py
index 45bb4343d..95bbb9954 100644
--- a/examples/pincell_depletion/restart_depletion.py
+++ b/examples/pincell_depletion/restart_depletion.py
@@ -12,7 +12,7 @@ with openmc.StatePoint(statepoint) as sp:
     geometry = sp.summary.geometry
 
 # Load previous depletion results
-previous_results = openmc.deplete.ResultsList("depletion_results.h5")
+previous_results = openmc.deplete.Results("depletion_results.h5")
 
 ###############################################################################
 #                      Transport calculation settings
@@ -56,7 +56,7 @@ integrator.integrate()
 ###############################################################################
 
 # Open results file
-results = openmc.deplete.ResultsList("depletion_results.h5")
+results = openmc.deplete.Results("depletion_results.h5")
 
 # Obtain K_eff as a function of time
 time, keff = results.get_keff(time_units='d')
diff --git a/examples/pincell_depletion/run_depletion.py b/examples/pincell_depletion/run_depletion.py
index 727039a29..ae069334e 100644
--- a/examples/pincell_depletion/run_depletion.py
+++ b/examples/pincell_depletion/run_depletion.py
@@ -101,7 +101,7 @@ integrator.integrate()
 ###############################################################################
 
 # Open results file
-results = openmc.deplete.ResultsList("depletion_results.h5")
+results = openmc.deplete.Results("depletion_results.h5")
 
 # Obtain K_eff as a function of time
 time, keff = results.get_keff(time_units='d')
diff --git a/openmc/deplete/abc.py b/openmc/deplete/abc.py
index 7d6e33924..9ba70af37 100644
--- a/openmc/deplete/abc.py
+++ b/openmc/deplete/abc.py
@@ -24,7 +24,7 @@ from openmc.checkvalue import check_type, check_greater_than
 from openmc.mpi import comm
 from .results import StepResult
 from .chain import Chain
-from .results_list import ResultsList
+from .results_list import Results
 from .pool import deplete
 
 
@@ -79,7 +79,7 @@ class TransportOperator(ABC):
         in initial condition to ensure they exist in the decay chain.
         Only done for nuclides with reaction rates.
         Defaults to 1.0e3.
-    prev_results : ResultsList, optional
+    prev_results : Results, optional
         Results from a previous depletion calculation.
 
     Attributes
@@ -88,7 +88,7 @@ class TransportOperator(ABC):
         Initial atom density [atoms/cm^3] to add for nuclides that are zero
         in initial condition to ensure they exist in the decay chain.
         Only done for nuclides with reaction rates.
-    prev_res : ResultsList or None
+    prev_res : Results or None
         Results from a previous depletion calculation. ``None`` if no
         results are to be used.
     """
@@ -102,7 +102,7 @@ class TransportOperator(ABC):
         if prev_results is None:
             self.prev_res = None
         else:
-            check_type("previous results", prev_results, ResultsList)
+            check_type("previous results", prev_results, Results)
             self.prev_res = prev_results
 
     @property
diff --git a/openmc/deplete/operator.py b/openmc/deplete/operator.py
index 1f31a22b6..da9588b87 100644
--- a/openmc/deplete/operator.py
+++ b/openmc/deplete/operator.py
@@ -25,7 +25,7 @@ from .abc import TransportOperator, OperatorResult
 from .atom_number import AtomNumber
 from .chain import _find_chain_file
 from .reaction_rates import ReactionRates
-from .results_list import ResultsList
+from .results_list import Results
 from .helpers import (
     DirectReactionRateHelper, ChainFissionHelper, ConstantFissionYieldHelper,
     FissionYieldCutoffHelper, AveragedFissionYieldHelper, EnergyScoreHelper,
@@ -94,7 +94,7 @@ class Operator(TransportOperator):
         Path to the depletion chain XML file.  Defaults to the file
         listed under ``depletion_chain`` in
         :envvar:`OPENMC_CROSS_SECTIONS` environment variable.
-    prev_results : ResultsList, optional
+    prev_results : Results, optional
         Results from a previous depletion calculation. If this argument is
         specified, the depletion calculation will start from the latest state
         in the previous results.
@@ -192,7 +192,7 @@ class Operator(TransportOperator):
         Initial heavy metal inventory [g]
     local_mats : list of str
         All burnable material IDs being managed by a single process
-    prev_res : ResultsList or None
+    prev_res : Results or None
         Results from a previous depletion calculation. ``None`` if no
         results are to be used.
     cleanup_when_done : bool
@@ -284,7 +284,7 @@ class Operator(TransportOperator):
             if comm.size == 1:
                 self.prev_res = prev_results
             else:
-                self.prev_res = ResultsList()
+                self.prev_res = Results()
                 mat_indexes = _distribute(range(len(self.burnable_mats)))
                 for res_obj in prev_results:
                     new_res = res_obj.distribute(self.local_mats, mat_indexes)
@@ -494,7 +494,7 @@ class Operator(TransportOperator):
             Volumes for the above materials in [cm^3]
         nuclides : list of str
             Nuclides to be used in the simulation.
-        prev_res : ResultsList, optional
+        prev_res : Results, optional
             Results from a previous depletion calculation
 
         """
@@ -543,7 +543,7 @@ class Operator(TransportOperator):
         ----------
         mat : openmc.Material
             The material to read from
-        prev_res : ResultsList
+        prev_res : Results
             Results from a previous depletion calculation
 
         """
diff --git a/openmc/deplete/results_list.py b/openmc/deplete/results_list.py
index 97170f226..fb45792f6 100644
--- a/openmc/deplete/results_list.py
+++ b/openmc/deplete/results_list.py
@@ -12,7 +12,7 @@ from openmc.data.library import DataLibrary
 from openmc.material import Material, Materials
 from openmc.exceptions import DataError, InvalidArgumentError
 
-__all__ = ["ResultsList"]
+__all__ = ["Results"]
 
 
 def _get_time_as(seconds, units):
@@ -26,10 +26,10 @@ def _get_time_as(seconds, units):
         return seconds
 
 
-class ResultsList(list):
+class Results(list):
     """Results from a depletion simulation
 
-    The :class:`ResultsList` class acts as a list that stores the results from
+    The :class:`Results` class acts as a list that stores the results from
     each depletion step and provides extra methods for interrogating these
     results.
 
@@ -63,13 +63,13 @@ class ResultsList(list):
 
         Returns
         -------
-        ResultsList
+        Results
             New instance of depletion results
 
         """
         warn(
             "The from_hdf5(...) method is no longer necessary and will be removed "
-            "in a future version of OpenMC. Use ResultsList(...) instead.",
+            "in a future version of OpenMC. Use Results(...) instead.",
             FutureWarning
         )
         return cls(filename)
diff --git a/tests/regression_tests/deplete/test.py b/tests/regression_tests/deplete/test.py
index 91f18667e..6c431fb33 100644
--- a/tests/regression_tests/deplete/test.py
+++ b/tests/regression_tests/deplete/test.py
@@ -77,8 +77,8 @@ def test_full(run_in_tmpdir, problem, multiproc):
         return
 
     # Load the reference/test results
-    res_test = openmc.deplete.ResultsList(path_test)
-    res_ref = openmc.deplete.ResultsList(path_reference)
+    res_test = openmc.deplete.Results(path_test)
+    res_ref = openmc.deplete.Results(path_reference)
 
     # Assert same mats
     for mat in res_ref[0].mat_to_ind:
@@ -139,7 +139,7 @@ def test_depletion_results_to_material(run_in_tmpdir, problem):
     """Checks openmc.Materials objects can be created from depletion results"""
     # Load the reference/test results
     path_reference = Path(__file__).with_name('test_reference.h5')
-    res_ref = openmc.deplete.ResultsList(path_reference)
+    res_ref = openmc.deplete.Results(path_reference)
 
     # Firstly need to export materials.xml file for the initial simulation state
     geometry, lower_left, upper_right = problem
diff --git a/tests/unit_tests/test_deplete_activation.py b/tests/unit_tests/test_deplete_activation.py
index 2c3e0c053..0b82a5fbc 100644
--- a/tests/unit_tests/test_deplete_activation.py
+++ b/tests/unit_tests/test_deplete_activation.py
@@ -107,7 +107,7 @@ def test_activation(run_in_tmpdir, model, reaction_rate_mode, reaction_rate_opts
     integrator.integrate()
 
     # Get resulting number of atoms
-    results = openmc.deplete.ResultsList('depletion_results.h5')
+    results = openmc.deplete.Results('depletion_results.h5')
     _, atoms = results.get_atoms(w, "W186")
 
     assert atoms[0] == pytest.approx(n0)
@@ -155,7 +155,7 @@ def test_decay(run_in_tmpdir):
     integrator.integrate()
 
     # Get resulting number of atoms
-    results = openmc.deplete.ResultsList('depletion_results.h5')
+    results = openmc.deplete.Results('depletion_results.h5')
     _, atoms = results.get_atoms(mat, "Sr89")
 
     # Ensure density goes down by a factor of 2 after each half-life
diff --git a/tests/unit_tests/test_deplete_integrator.py b/tests/unit_tests/test_deplete_integrator.py
index 4348b8c34..cb6374152 100644
--- a/tests/unit_tests/test_deplete_integrator.py
+++ b/tests/unit_tests/test_deplete_integrator.py
@@ -16,7 +16,7 @@ import pytest
 
 from openmc.mpi import comm
 from openmc.deplete import (
-    ReactionRates, StepResult, ResultsList, OperatorResult, PredictorIntegrator,
+    ReactionRates, StepResult, Results, OperatorResult, PredictorIntegrator,
     CECMIntegrator, CF4Integrator, CELIIntegrator, EPCRK4Integrator,
     LEQIIntegrator, SICELIIntegrator, SILEQIIntegrator, cram)
 
@@ -103,7 +103,7 @@ def test_results_save(run_in_tmpdir):
     StepResult.save(op, x2, op_result2, t2, 0, 1)
 
     # Load the files
-    res = ResultsList("depletion_results.h5")
+    res = Results("depletion_results.h5")
 
     for i in range(stages):
         for mat_i, mat in enumerate(burn_list):
@@ -176,7 +176,7 @@ def test_integrator(run_in_tmpdir, scheme):
 
     # get expected results
 
-    res = ResultsList(operator.output_dir / "depletion_results.h5")
+    res = Results(operator.output_dir / "depletion_results.h5")
 
     t1, y1 = res.get_atoms("1", "1")
     t2, y2 = res.get_atoms("1", "2")
diff --git a/tests/unit_tests/test_deplete_restart.py b/tests/unit_tests/test_deplete_restart.py
index 2bfcfea7d..e8bfc062a 100644
--- a/tests/unit_tests/test_deplete_restart.py
+++ b/tests/unit_tests/test_deplete_restart.py
@@ -24,7 +24,7 @@ def test_restart_predictor_cecm(run_in_tmpdir):
     openmc.deplete.PredictorIntegrator(op, dt, power).integrate()
 
     # Load the files
-    prev_res = openmc.deplete.ResultsList(op.output_dir / "depletion_results.h5")
+    prev_res = openmc.deplete.Results(op.output_dir / "depletion_results.h5")
 
     # Re-create depletion operator and load previous results
     op = dummy_operator.DummyOperator(prev_res)
@@ -50,7 +50,7 @@ def test_restart_cecm_predictor(run_in_tmpdir):
     cecm.integrate()
 
     # Load the files
-    prev_res = openmc.deplete.ResultsList(op.output_dir / "depletion_results.h5")
+    prev_res = openmc.deplete.Results(op.output_dir / "depletion_results.h5")
 
     # Re-create depletion operator and load previous results
     op = dummy_operator.DummyOperator(prev_res)
@@ -73,7 +73,7 @@ def test_restart(run_in_tmpdir, scheme):
     bundle.solver(operator, [0.75], 1.0).integrate()
 
     # restart
-    prev_res = openmc.deplete.ResultsList(
+    prev_res = openmc.deplete.Results(
         operator.output_dir / "depletion_results.h5")
     operator = dummy_operator.DummyOperator(prev_res)
 
@@ -82,7 +82,7 @@ def test_restart(run_in_tmpdir, scheme):
 
     # compare results
 
-    results = openmc.deplete.ResultsList(
+    results = openmc.deplete.Results(
         operator.output_dir / "depletion_results.h5")
 
     _t, y1 = results.get_atoms("1", "1")
diff --git a/tests/unit_tests/test_deplete_resultslist.py b/tests/unit_tests/test_deplete_resultslist.py
index 2a2669920..6ce15601f 100644
--- a/tests/unit_tests/test_deplete_resultslist.py
+++ b/tests/unit_tests/test_deplete_resultslist.py
@@ -1,4 +1,4 @@
-"""Tests the ResultsList class"""
+"""Tests the Results class"""
 
 from pathlib import Path
 from math import inf
@@ -13,7 +13,7 @@ def res():
     """Load the reference results"""
     filename = (Path(__file__).parents[1] / 'regression_tests' / 'deplete'
                 / 'test_reference.h5')
-    return openmc.deplete.ResultsList(filename)
+    return openmc.deplete.Results(filename)
 
 
 def test_get_atoms(res):
@@ -72,9 +72,9 @@ def test_get_keff(res):
 
 @pytest.mark.parametrize("unit", ("s", "d", "min", "h"))
 def test_get_steps(unit):
-    # Make a ResultsList full of near-empty Result instances
+    # Make a Results full of near-empty Result instances
     # Just fill out a time schedule
-    results = openmc.deplete.ResultsList()
+    results = openmc.deplete.Results()
     # Time in units of unit
     times = np.linspace(0, 100, num=5)
     if unit == "d":
diff --git a/tests/unit_tests/test_transfer_volumes.py b/tests/unit_tests/test_transfer_volumes.py
index 50e222b95..b768bc88a 100644
--- a/tests/unit_tests/test_transfer_volumes.py
+++ b/tests/unit_tests/test_transfer_volumes.py
@@ -2,7 +2,7 @@
 
 from pytest import approx
 import openmc
-from openmc.deplete import PredictorIntegrator, ResultsList
+from openmc.deplete import PredictorIntegrator, Results
 
 from tests import dummy_operator
 
@@ -19,7 +19,7 @@ def test_transfer_volumes(run_in_tmpdir):
     PredictorIntegrator(op, dt, power).integrate()
 
     # Load the files
-    res = openmc.deplete.ResultsList(op.output_dir / "depletion_results.h5")
+    res = openmc.deplete.Results(op.output_dir / "depletion_results.h5")
 
     # Create a dictionary of volumes to transfer
     res[0].volume['1'] = 1.5

From bd7b33c636628cd4826dd4507fc01a9fc628896d Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 28 Apr 2022 17:23:37 -0500
Subject: [PATCH 0368/2654] Rename results.py stepresult.py

---
 openmc/deplete/__init__.py                   | 2 +-
 openmc/deplete/abc.py                        | 2 +-
 openmc/deplete/results_list.py               | 2 +-
 openmc/deplete/{results.py => stepresult.py} | 0
 4 files changed, 3 insertions(+), 3 deletions(-)
 rename openmc/deplete/{results.py => stepresult.py} (100%)

diff --git a/openmc/deplete/__init__.py b/openmc/deplete/__init__.py
index b8c1cdfff..e15a368de 100644
--- a/openmc/deplete/__init__.py
+++ b/openmc/deplete/__init__.py
@@ -10,7 +10,7 @@ from .chain import *
 from .operator import *
 from .reaction_rates import *
 from .atom_number import *
-from .results import *
+from .stepresult import *
 from .results_list import *
 from .integrators import *
 from . import abc
diff --git a/openmc/deplete/abc.py b/openmc/deplete/abc.py
index 9ba70af37..3d8d08c76 100644
--- a/openmc/deplete/abc.py
+++ b/openmc/deplete/abc.py
@@ -22,7 +22,7 @@ from uncertainties import ufloat
 from openmc.lib import MaterialFilter, Tally
 from openmc.checkvalue import check_type, check_greater_than
 from openmc.mpi import comm
-from .results import StepResult
+from .stepresult import StepResult
 from .chain import Chain
 from .results_list import Results
 from .pool import deplete
diff --git a/openmc/deplete/results_list.py b/openmc/deplete/results_list.py
index fb45792f6..952fb37f7 100644
--- a/openmc/deplete/results_list.py
+++ b/openmc/deplete/results_list.py
@@ -6,7 +6,7 @@ from warnings import warn
 import h5py
 import numpy as np
 
-from .results import StepResult, VERSION_RESULTS
+from .stepresult import StepResult, VERSION_RESULTS
 import openmc.checkvalue as cv
 from openmc.data.library import DataLibrary
 from openmc.material import Material, Materials
diff --git a/openmc/deplete/results.py b/openmc/deplete/stepresult.py
similarity index 100%
rename from openmc/deplete/results.py
rename to openmc/deplete/stepresult.py

From 5421bf0b1f0a3186aa033be915d5d120c5b084cf Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 28 Apr 2022 17:25:10 -0500
Subject: [PATCH 0369/2654] Rename results_list.py -> results.py

---
 openmc/deplete/__init__.py                     | 2 +-
 openmc/deplete/abc.py                          | 2 +-
 openmc/deplete/operator.py                     | 2 +-
 openmc/deplete/{results_list.py => results.py} | 0
 4 files changed, 3 insertions(+), 3 deletions(-)
 rename openmc/deplete/{results_list.py => results.py} (100%)

diff --git a/openmc/deplete/__init__.py b/openmc/deplete/__init__.py
index e15a368de..5891555a2 100644
--- a/openmc/deplete/__init__.py
+++ b/openmc/deplete/__init__.py
@@ -11,7 +11,7 @@ from .operator import *
 from .reaction_rates import *
 from .atom_number import *
 from .stepresult import *
-from .results_list import *
+from .results import *
 from .integrators import *
 from . import abc
 from . import cram
diff --git a/openmc/deplete/abc.py b/openmc/deplete/abc.py
index 3d8d08c76..df30579e5 100644
--- a/openmc/deplete/abc.py
+++ b/openmc/deplete/abc.py
@@ -24,7 +24,7 @@ from openmc.checkvalue import check_type, check_greater_than
 from openmc.mpi import comm
 from .stepresult import StepResult
 from .chain import Chain
-from .results_list import Results
+from .results import Results
 from .pool import deplete
 
 
diff --git a/openmc/deplete/operator.py b/openmc/deplete/operator.py
index da9588b87..327c762e0 100644
--- a/openmc/deplete/operator.py
+++ b/openmc/deplete/operator.py
@@ -25,7 +25,7 @@ from .abc import TransportOperator, OperatorResult
 from .atom_number import AtomNumber
 from .chain import _find_chain_file
 from .reaction_rates import ReactionRates
-from .results_list import Results
+from .results import Results
 from .helpers import (
     DirectReactionRateHelper, ChainFissionHelper, ConstantFissionYieldHelper,
     FissionYieldCutoffHelper, AveragedFissionYieldHelper, EnergyScoreHelper,
diff --git a/openmc/deplete/results_list.py b/openmc/deplete/results.py
similarity index 100%
rename from openmc/deplete/results_list.py
rename to openmc/deplete/results.py

From 8a4fd95b9bea56d83a9ded8467cb2da41be66605 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Mon, 2 May 2022 12:27:28 -0500
Subject: [PATCH 0370/2654] Retain ResultsList name for backwards compatibility

---
 openmc/deplete/results.py | 12 ++++++++----
 1 file changed, 8 insertions(+), 4 deletions(-)

diff --git a/openmc/deplete/results.py b/openmc/deplete/results.py
index 952fb37f7..fd6d72fba 100644
--- a/openmc/deplete/results.py
+++ b/openmc/deplete/results.py
@@ -10,9 +10,9 @@ from .stepresult import StepResult, VERSION_RESULTS
 import openmc.checkvalue as cv
 from openmc.data.library import DataLibrary
 from openmc.material import Material, Materials
-from openmc.exceptions import DataError, InvalidArgumentError
+from openmc.exceptions import DataError
 
-__all__ = ["Results"]
+__all__ = ["Results", "ResultsList"]
 
 
 def _get_time_as(seconds, units):
@@ -68,8 +68,8 @@ class Results(list):
 
         """
         warn(
-            "The from_hdf5(...) method is no longer necessary and will be removed "
-            "in a future version of OpenMC. Use Results(...) instead.",
+            "The ResultsList.from_hdf5(...) method is no longer necessary and will "
+            "be removed in a future version of OpenMC. Use Results(...) instead.",
             FutureWarning
         )
         return cls(filename)
@@ -410,3 +410,7 @@ class Results(list):
                         mat.add_nuclide(nuc, atoms_per_barn_cm)
 
         return mat_file
+
+
+# Retain deprecated name for the time being
+ResultsList = Results

From 355ecd374751c5d773d5d97278c7d88e6cabf5f4 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 5 May 2022 22:05:33 -0500
Subject: [PATCH 0371/2654] Allow deplete.Results() to be instantiated empty

---
 openmc/deplete/results.py | 17 +++++++++--------
 1 file changed, 9 insertions(+), 8 deletions(-)

diff --git a/openmc/deplete/results.py b/openmc/deplete/results.py
index fd6d72fba..514c04820 100644
--- a/openmc/deplete/results.py
+++ b/openmc/deplete/results.py
@@ -39,16 +39,17 @@ class Results(list):
         Path to depletion result file
 
     """
-    def __init__(self, filename):
-        with h5py.File(str(filename), "r") as fh:
-            cv.check_filetype_version(fh, 'depletion results', VERSION_RESULTS[0])
-            data = []
+    def __init__(self, filename=None):
+        data = []
+        if filename is not None:
+            with h5py.File(str(filename), "r") as fh:
+                cv.check_filetype_version(fh, 'depletion results', VERSION_RESULTS[0])
 
-            # Get number of results stored
-            n = fh["number"][...].shape[0]
+                # Get number of results stored
+                n = fh["number"][...].shape[0]
 
-            for i in range(n):
-                data.append(StepResult.from_hdf5(fh, i))
+                for i in range(n):
+                    data.append(StepResult.from_hdf5(fh, i))
         super().__init__(data)
 
 

From bc1ab31746518ab420f01695ab91da4390134cd4 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 3 Jun 2022 09:09:52 -0500
Subject: [PATCH 0372/2654] Raise exception if timestep in [MWd/kg] is given
 with zero power

---
 openmc/deplete/abc.py        | 3 +++
 openmc/deplete/stepresult.py | 2 +-
 2 files changed, 4 insertions(+), 1 deletion(-)

diff --git a/openmc/deplete/abc.py b/openmc/deplete/abc.py
index df30579e5..457c51a8a 100644
--- a/openmc/deplete/abc.py
+++ b/openmc/deplete/abc.py
@@ -719,6 +719,9 @@ class Integrator(ABC):
             elif unit.lower() == 'mwd/kg':
                 watt_days_per_kg = 1e6*timestep
                 kilograms = 1e-3*operator.heavy_metal
+                if rate == 0.0:
+                    raise ValueError("Cannot specify a timestep in [MWd/kg] when"
+                                     " the power is zero.")
                 days = watt_days_per_kg * kilograms / rate
                 seconds.append(days*_SECONDS_PER_DAY)
             else:
diff --git a/openmc/deplete/stepresult.py b/openmc/deplete/stepresult.py
index bfd165481..6f30e934d 100644
--- a/openmc/deplete/stepresult.py
+++ b/openmc/deplete/stepresult.py
@@ -20,7 +20,7 @@ __all__ = ["StepResult"]
 
 
 class StepResult:
-    """Output of a depletion run
+    """Result of a single depletion timestep
 
     Attributes
     ----------

From 7484618c7c93d3bb75fe6decc0104e3201129ad6 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Tue, 5 Apr 2022 13:01:03 -0500
Subject: [PATCH 0373/2654] Adding sample methods to univariate distribution
 classes

---
 openmc/stats/univariate.py | 123 +++++++++++++++++++++++++++++++++++++
 1 file changed, 123 insertions(+)

diff --git a/openmc/stats/univariate.py b/openmc/stats/univariate.py
index e4a9b8f92..ea8c9f943 100644
--- a/openmc/stats/univariate.py
+++ b/openmc/stats/univariate.py
@@ -60,6 +60,10 @@ class Univariate(EqualityMixin, ABC):
         elif distribution == 'mixture':
             return Mixture.from_xml_element(elem)
 
+    @abstractmethod
+    def sample(p, seed=None):
+        pass
+
 
 class Discrete(Univariate):
     """Distribution characterized by a probability mass function.
@@ -115,6 +119,26 @@ class Discrete(Univariate):
             cv.check_greater_than('discrete probability', pk, 0.0, True)
         self._p = p
 
+    def sample(self, n_samples=1, seed=None):
+        np.random.seed(seed)
+
+        if len(self.x) == 1:
+            return np.full((n_samples), self.x[0])
+
+        out = np.zeros((n_samples,))
+        for i, xi in enumerate(np.random.rand(n_samples)):
+            c = 0.0
+            for j, prob in enumerate(self.p):
+                c += prob
+                if (xi < c):
+                    out[i] = self.x[j]
+                    break
+        return out
+
+    def normalize(self):
+        norm = sum(self.p)
+        self.p = [val / norm for val in self.p]
+
     def to_xml_element(self, element_name):
         """Return XML representation of the discrete distribution
 
@@ -240,6 +264,10 @@ class Uniform(Univariate):
         t.c = [0., 1.]
         return t
 
+    def sample(self, n_samples=1, seed=None):
+        np.random.seed(seed)
+        return np.random.uniform(self.a, self.b, n_samples)
+
     def to_xml_element(self, element_name):
         """Return XML representation of the uniform distribution
 
@@ -341,6 +369,14 @@ class PowerLaw(Univariate):
         cv.check_type('power law exponent', n, Real)
         self._n = n
 
+    def sample(self, n_samples=1, seed=None):
+        np.random.seed(seed)
+        xi = np.random.rand(n_samples)
+        pwr = self.n + 1
+        offset = self.a**pwr
+        span = self.b**pwr - offset
+        return np.power(offset + xi * span, (1/pwr))
+
     def to_xml_element(self, element_name):
         """Return XML representation of the power law distribution
 
@@ -414,6 +450,16 @@ class Maxwell(Univariate):
         cv.check_greater_than('Maxwell temperature', theta, 0.0)
         self._theta = theta
 
+    def sample(self, n_samples=1, seed=None):
+        np.random.seed(seed)
+        self.sample_maxwell(self.theta, n_samples)
+
+    @staticmethod
+    def sample_maxwell(t, n_samples):
+        r1, r2, r3 = np.random.rand(3, n_samples)
+        c = np.power(np.cos(0.5 * np.pi * r3), 2)
+        return t * (np.log(r1) + np.log(r2) * c)
+
     def to_xml_element(self, element_name):
         """Return XML representation of the Maxwellian distribution
 
@@ -502,6 +548,13 @@ class Watt(Univariate):
         cv.check_greater_than('Watt b', b, 0.0)
         self._b = b
 
+    def sample(self, n_samples=1, seed=None):
+        np.random.seed(seed)
+        w = Maxwell.sample_maxwell(self.a, n_samples)
+        u = np.random.uniform(-1., 1., n_samples)
+        aab = self.a * self.a * self.b
+        return w + 0.25*aab + u * np.sqrt(aab*w)
+
     def to_xml_element(self, element_name):
         """Return XML representation of the Watt distribution
 
@@ -588,6 +641,10 @@ class Normal(Univariate):
         cv.check_greater_than('Normal std_dev', std_dev, 0.0)
         self._std_dev = std_dev
 
+    def sample(self, n_samples=1, seed=None):
+        np.random.seed(seed)
+        return np.random.normal(self.mean_value, self.std_dev, n_samples)
+
     def to_xml_element(self, element_name):
         """Return XML representation of the Normal distribution
 
@@ -694,6 +751,12 @@ class Muir(Univariate):
         cv.check_greater_than('Muir kt', kt, 0.0)
         self._kt = kt
 
+    def sample(self, n_samples=1, seed=None):
+        # https://permalink.lanl.gov/object/tr?what=info:lanl-repo/lareport/LA-05411-MS
+        np.random.seed(seed)
+        sigma = np.sqrt(4.*self.e0*self.kt/self.m_rat)
+        return np.random.normal(self.e0, sigma, n_samples)
+
     def to_xml_element(self, element_name):
         """Return XML representation of the Watt distribution
 
@@ -803,6 +866,63 @@ class Tabular(Univariate):
         cv.check_value('interpolation', interpolation, _INTERPOLATION_SCHEMES)
         self._interpolation = interpolation
 
+    def cdf(self):
+        if self.interpolation not in ('histogram', 'linear-linear'):
+            raise NotImplementedError('Can only generate CDFs for tabular '
+                                      'distributions using histogram or '
+                                      'linear-linear interpolation')
+        c = np.zeros_like((len(self.x),))
+        if self.interpolation == 'histogram':
+            c[1:] = self.p * np.diff(self.x)
+        elif self.interpolation == 'linear-linear':
+            c[1:] = 0.5 * np.diff(self.p) * np.diff(self.x)
+        return np.cumsum(c)
+
+    def sample(self, n_samples=1, seed=None):
+        np.random.seed(seed)
+        xi = np.random.rand(n_samples)
+        cdf = self.cdf()
+
+        # get CDF bins that are above the
+        # sampled values
+        c_i = np.full(n_samples, cdf[0])
+        cdf_idx = np.zeros_like(n_samples)
+        for i, val in enumerate(cdf):
+            mask = xi > val
+            c_i[mask] = val
+            cdf_idx[mask] = i
+
+        # get table values at each index where
+        # the random number is less than the next cdf
+        # entry
+        x_i = np.array([self.x[i] for i in cdf_idx])
+        p_i = np.array([self.p[i] for i in cdf_idx])
+
+        if self.interpolation == 'histogram':
+            # mask where probability
+            pos_mask = p_i > 0.0
+            p_i[pos_mask] = x_i[pos_mask] + (xi[pos_mask] - c_i[pos_mask]) \
+                           / p_i[pos_mask]
+            neg_mask = not pos_mask
+            p_i[neg_mask] = x_i[neg_mask]
+            return p_i
+        elif self.interpolation == 'linear-linear':
+            # get variable and probability values for the
+            # next entry
+            x_i1 = np.array([self.x[i+1] for i in cdf_idx])
+            p_i1 = np.array([self.p[i+1] for i in cdf_idx])
+            # compute slope between entries
+            m = (p_i1 - p_i) / (x_i1 - x_i)
+            # set values for zero slope
+            zero = m == 0.0
+            m[zero] = x_i[zero] + (xi[zero] - c_i[zero]) / p_i[zero]
+            # set values for non-zero slope
+            non_zero = not zero
+            quad = np.pow(p_i[non_zero]**2) + 2. * m[non_zero] * (xi[non_zero] - c_i[non_zero])
+            quad[quad < 0.0] = 0.0
+            m[non_zero] = x_i[non_zero] +  (np.sqrt(quad) - p_i) / m[non_zero]
+            return m
+
     def to_xml_element(self, element_name):
         """Return XML representation of the tabular distribution
 
@@ -890,6 +1010,9 @@ class Legendre(Univariate):
     def coefficients(self, coefficients):
         self._coefficients = np.asarray(coefficients)
 
+    def sample(self, n_samples=1, seed=None):
+        raise NotImplementedError
+
     def to_xml_element(self, element_name):
         raise NotImplementedError
 

From e856c6a27065eb9b2b64dd480f1200020937e276 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Tue, 5 Apr 2022 13:24:18 -0500
Subject: [PATCH 0374/2654] Correction to maxwell dist sampling

---
 openmc/stats/univariate.py | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/openmc/stats/univariate.py b/openmc/stats/univariate.py
index ea8c9f943..72a5568aa 100644
--- a/openmc/stats/univariate.py
+++ b/openmc/stats/univariate.py
@@ -452,13 +452,13 @@ class Maxwell(Univariate):
 
     def sample(self, n_samples=1, seed=None):
         np.random.seed(seed)
-        self.sample_maxwell(self.theta, n_samples)
+        return self.sample_maxwell(self.theta, n_samples)
 
     @staticmethod
     def sample_maxwell(t, n_samples):
         r1, r2, r3 = np.random.rand(3, n_samples)
         c = np.power(np.cos(0.5 * np.pi * r3), 2)
-        return t * (np.log(r1) + np.log(r2) * c)
+        return -t * (np.log(r1) + np.log(r2) * c)
 
     def to_xml_element(self, element_name):
         """Return XML representation of the Maxwellian distribution

From 136ff45cc56a4a552eea93b35aeaf792e9fad0e7 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Tue, 5 Apr 2022 13:52:50 -0500
Subject: [PATCH 0375/2654] Adding docstrings. Corrections to Tabular sampling

---
 openmc/stats/univariate.py | 34 +++++++++++++++++++++++++---------
 1 file changed, 25 insertions(+), 9 deletions(-)

diff --git a/openmc/stats/univariate.py b/openmc/stats/univariate.py
index 72a5568aa..3d99f8b8c 100644
--- a/openmc/stats/univariate.py
+++ b/openmc/stats/univariate.py
@@ -61,7 +61,21 @@ class Univariate(EqualityMixin, ABC):
             return Mixture.from_xml_element(elem)
 
     @abstractmethod
-    def sample(p, seed=None):
+    def sample(n_samples=1, seed=None):
+        """Sample the univariate distribution
+
+        Parameters
+        ----------
+        n_samples : int
+            Number of sampled values to generate
+        seed : int or None
+            Initial random number seed.
+
+        Returns
+        -------
+        numpy.ndarray
+            A 1-D array of sampled values
+        """
         pass
 
 
@@ -867,15 +881,17 @@ class Tabular(Univariate):
         self._interpolation = interpolation
 
     def cdf(self):
-        if self.interpolation not in ('histogram', 'linear-linear'):
+        if not self.interpolation in ('histogram', 'linear-linear'):
             raise NotImplementedError('Can only generate CDFs for tabular '
                                       'distributions using histogram or '
                                       'linear-linear interpolation')
-        c = np.zeros_like((len(self.x),))
+        c = np.zeros_like(self.x)
+        x = np.asarray(self.x)
+        p = np.asarray(self.p)
         if self.interpolation == 'histogram':
-            c[1:] = self.p * np.diff(self.x)
+            c[1:] = p * np.diff(x)
         elif self.interpolation == 'linear-linear':
-            c[1:] = 0.5 * np.diff(self.p) * np.diff(self.x)
+            c[1:] = 0.5 * (p[0:-1] + p[1:]) * np.diff(x)
         return np.cumsum(c)
 
     def sample(self, n_samples=1, seed=None):
@@ -886,7 +902,7 @@ class Tabular(Univariate):
         # get CDF bins that are above the
         # sampled values
         c_i = np.full(n_samples, cdf[0])
-        cdf_idx = np.zeros_like(n_samples)
+        cdf_idx = np.zeros((n_samples,), dtype=int)
         for i, val in enumerate(cdf):
             mask = xi > val
             c_i[mask] = val
@@ -903,7 +919,7 @@ class Tabular(Univariate):
             pos_mask = p_i > 0.0
             p_i[pos_mask] = x_i[pos_mask] + (xi[pos_mask] - c_i[pos_mask]) \
                            / p_i[pos_mask]
-            neg_mask = not pos_mask
+            neg_mask = np.invert(pos_mask)
             p_i[neg_mask] = x_i[neg_mask]
             return p_i
         elif self.interpolation == 'linear-linear':
@@ -917,8 +933,8 @@ class Tabular(Univariate):
             zero = m == 0.0
             m[zero] = x_i[zero] + (xi[zero] - c_i[zero]) / p_i[zero]
             # set values for non-zero slope
-            non_zero = not zero
-            quad = np.pow(p_i[non_zero]**2) + 2. * m[non_zero] * (xi[non_zero] - c_i[non_zero])
+            non_zero = np.invert(zero)
+            quad = np.power(p_i[non_zero], 2) + 2. * m[non_zero] * (xi[non_zero] - c_i[non_zero])
             quad[quad < 0.0] = 0.0
             m[non_zero] = x_i[non_zero] +  (np.sqrt(quad) - p_i) / m[non_zero]
             return m

From 17be0257a0ec05994ff6d2a2fea8edcd15b5dfc7 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Tue, 5 Apr 2022 14:05:35 -0500
Subject: [PATCH 0376/2654] Correction to histogram cdf method

---
 openmc/stats/univariate.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/stats/univariate.py b/openmc/stats/univariate.py
index 3d99f8b8c..7fc479e63 100644
--- a/openmc/stats/univariate.py
+++ b/openmc/stats/univariate.py
@@ -889,7 +889,7 @@ class Tabular(Univariate):
         x = np.asarray(self.x)
         p = np.asarray(self.p)
         if self.interpolation == 'histogram':
-            c[1:] = p * np.diff(x)
+            c[1:] = p[:-1] * np.diff(x)
         elif self.interpolation == 'linear-linear':
             c[1:] = 0.5 * (p[0:-1] + p[1:]) * np.diff(x)
         return np.cumsum(c)

From 8070ccaf52abb93eca2e3ee99784284d5b730a26 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Tue, 5 Apr 2022 15:32:38 -0500
Subject: [PATCH 0377/2654] Adding sampling for Mixture. Improving performance
 of Discrete sampling

---
 openmc/stats/univariate.py | 36 ++++++++++++++++++++++++++++--------
 1 file changed, 28 insertions(+), 8 deletions(-)

diff --git a/openmc/stats/univariate.py b/openmc/stats/univariate.py
index 7fc479e63..0e6b4ae61 100644
--- a/openmc/stats/univariate.py
+++ b/openmc/stats/univariate.py
@@ -133,20 +133,19 @@ class Discrete(Univariate):
             cv.check_greater_than('discrete probability', pk, 0.0, True)
         self._p = p
 
+    def cdf(self):
+        return np.insert(np.cumsum(self.p), 0, 0.0)
+
     def sample(self, n_samples=1, seed=None):
         np.random.seed(seed)
 
         if len(self.x) == 1:
             return np.full((n_samples), self.x[0])
 
-        out = np.zeros((n_samples,))
-        for i, xi in enumerate(np.random.rand(n_samples)):
-            c = 0.0
-            for j, prob in enumerate(self.p):
-                c += prob
-                if (xi < c):
-                    out[i] = self.x[j]
-                    break
+        xi = np.random.rand(n_samples)
+        out = np.zeros_like(xi)
+        for i, c in enumerate(self.cdf()[:-1]):
+            out[xi >= c] = self.x[i]
         return out
 
     def normalize(self):
@@ -1086,6 +1085,27 @@ class Mixture(Univariate):
                       Iterable, Univariate)
         self._distribution = distribution
 
+    def cdf(self):
+        return np.insert(np.cumsum(self.probability), 0, 0.0)
+
+    def sample(self, n_samples=1, seed=None):
+        np.random.seed(seed)
+        xi = np.random.rand(n_samples)
+        idx = np.zeros_like(xi, dtype=int)
+        for i, c in enumerate(self.cdf()[:-1]):
+            idx[xi >= c] = i
+
+        out = np.zeros_like(xi)
+        for i in np.unique(idx):
+            n_dist_samples = np.count_nonzero(idx == i)
+            samples = self.distribution[i].sample(n_dist_samples)
+            out[idx == i] = samples
+        return out
+
+    def normalize(self):
+        norm = sum(self.probability)
+        self.probability = [val / norm for val in self.probability]
+
     def to_xml_element(self, element_name):
         """Return XML representation of the mixture distribution
 

From 2f22474aea252d2bdff2fecd5ef7e17aa31bba8f Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Wed, 6 Apr 2022 10:32:39 -0500
Subject: [PATCH 0378/2654] Adding simple test for normal distribution

---
 tests/unit_tests/test_stats.py | 14 ++++++++++++++
 1 file changed, 14 insertions(+)

diff --git a/tests/unit_tests/test_stats.py b/tests/unit_tests/test_stats.py
index 51a561bd3..7bf67c1fa 100644
--- a/tests/unit_tests/test_stats.py
+++ b/tests/unit_tests/test_stats.py
@@ -65,6 +65,7 @@ def test_uniform():
     assert t.p == [1/(b-a), 1/(b-a)]
     assert t.interpolation == 'histogram'
 
+
 def test_powerlaw():
     a, b, n = 10.0, 20.0, 2.0
     d = openmc.stats.PowerLaw(a, b, n)
@@ -76,6 +77,7 @@ def test_powerlaw():
     assert d.n == n
     assert len(d) == 3
 
+
 def test_maxwell():
     theta = 1.2895e6
     d = openmc.stats.Maxwell(theta)
@@ -264,6 +266,18 @@ def test_normal():
     assert d.std_dev == pytest.approx(std_dev)
     assert len(d) == 2
 
+    # sample normal distribution
+    n_samples = 10000
+    samples = d.sample(n_samples, seed=100)
+    samples = np.abs(samples - mean)
+    within_1_sigma = np.count_nonzero(samples < std_dev)
+    assert within_1_sigma / n_samples >= 0.68
+    within_2_sigma = np.count_nonzero(samples < 2*std_dev)
+    assert within_2_sigma / n_samples >= 0.95
+    within_3_sigma = np.count_nonzero(samples < 3*std_dev)
+    assert within_3_sigma / n_samples >= 0.99
+
+
 def test_muir():
     mean = 10.0
     mass = 5.0

From 2c74dcf336f135a11649391616bb9741aa139ee3 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Wed, 6 Apr 2022 10:35:46 -0500
Subject: [PATCH 0379/2654] Adding similar test for Muir distribution

---
 openmc/stats/univariate.py     |  7 +++++--
 tests/unit_tests/test_stats.py | 11 +++++++++++
 2 files changed, 16 insertions(+), 2 deletions(-)

diff --git a/openmc/stats/univariate.py b/openmc/stats/univariate.py
index 0e6b4ae61..4f2fbf66c 100644
--- a/openmc/stats/univariate.py
+++ b/openmc/stats/univariate.py
@@ -764,11 +764,14 @@ class Muir(Univariate):
         cv.check_greater_than('Muir kt', kt, 0.0)
         self._kt = kt
 
+    @property
+    def std_dev(self):
+        return np.sqrt(4.*self.e0*self.kt/self.m_rat)
+
     def sample(self, n_samples=1, seed=None):
         # https://permalink.lanl.gov/object/tr?what=info:lanl-repo/lareport/LA-05411-MS
         np.random.seed(seed)
-        sigma = np.sqrt(4.*self.e0*self.kt/self.m_rat)
-        return np.random.normal(self.e0, sigma, n_samples)
+        return np.random.normal(self.e0, self.std_dev, n_samples)
 
     def to_xml_element(self, element_name):
         """Return XML representation of the Watt distribution
diff --git a/tests/unit_tests/test_stats.py b/tests/unit_tests/test_stats.py
index 7bf67c1fa..532936e42 100644
--- a/tests/unit_tests/test_stats.py
+++ b/tests/unit_tests/test_stats.py
@@ -292,3 +292,14 @@ def test_muir():
     assert d.m_rat == pytest.approx(mass)
     assert d.kt == pytest.approx(temp)
     assert len(d) == 3
+
+    # sample normal distribution
+    n_samples = 10000
+    samples = d.sample(n_samples, seed=100)
+    samples = np.abs(samples - mean)
+    within_1_sigma = np.count_nonzero(samples < d.std_dev)
+    assert within_1_sigma / n_samples >= 0.68
+    within_2_sigma = np.count_nonzero(samples < 2*d.std_dev)
+    assert within_2_sigma / n_samples >= 0.95
+    within_3_sigma = np.count_nonzero(samples < 3*d.std_dev)
+    assert within_3_sigma / n_samples >= 0.99

From 12b8a0802f7579ca1da24a7d2a0ba6bebdad6b3f Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 2 Jun 2022 23:42:06 -0500
Subject: [PATCH 0380/2654] Updating masks and adding some comments for clarity

---
 openmc/stats/univariate.py | 20 ++++++++++++++------
 1 file changed, 14 insertions(+), 6 deletions(-)

diff --git a/openmc/stats/univariate.py b/openmc/stats/univariate.py
index 4f2fbf66c..120dc62b6 100644
--- a/openmc/stats/univariate.py
+++ b/openmc/stats/univariate.py
@@ -897,6 +897,10 @@ class Tabular(Univariate):
         return np.cumsum(c)
 
     def sample(self, n_samples=1, seed=None):
+        if not self.interpolation in ('histogram', 'linear-linear'):
+            raise NotImplementedError('Can only sample tabular distributions '
+                                      'using histogram or '
+                                      'linear-linear interpolation')
         np.random.seed(seed)
         xi = np.random.rand(n_samples)
         cdf = self.cdf()
@@ -905,7 +909,7 @@ class Tabular(Univariate):
         # sampled values
         c_i = np.full(n_samples, cdf[0])
         cdf_idx = np.zeros((n_samples,), dtype=int)
-        for i, val in enumerate(cdf):
+        for i, val in enumerate(cdf[:-1]):
             mask = xi > val
             c_i[mask] = val
             cdf_idx[mask] = i
@@ -916,13 +920,17 @@ class Tabular(Univariate):
         x_i = np.array([self.x[i] for i in cdf_idx])
         p_i = np.array([self.p[i] for i in cdf_idx])
 
+        # TODO: check that probability doesn't exceed the last value
+
         if self.interpolation == 'histogram':
-            # mask where probability
+            # mask where probability is greater than zero
             pos_mask = p_i > 0.0
+            # probabilities greater than zero are set proportional to the
+            # position of the random numebers in relation to the cdf value
             p_i[pos_mask] = x_i[pos_mask] + (xi[pos_mask] - c_i[pos_mask]) \
                            / p_i[pos_mask]
-            neg_mask = np.invert(pos_mask)
-            p_i[neg_mask] = x_i[neg_mask]
+            # probabilities smaller than zero are set to the random number value
+            p_i[~pos_mask] = x_i[~pos_mask]
             return p_i
         elif self.interpolation == 'linear-linear':
             # get variable and probability values for the
@@ -935,10 +943,10 @@ class Tabular(Univariate):
             zero = m == 0.0
             m[zero] = x_i[zero] + (xi[zero] - c_i[zero]) / p_i[zero]
             # set values for non-zero slope
-            non_zero = np.invert(zero)
+            non_zero = ~zero
             quad = np.power(p_i[non_zero], 2) + 2. * m[non_zero] * (xi[non_zero] - c_i[non_zero])
             quad[quad < 0.0] = 0.0
-            m[non_zero] = x_i[non_zero] +  (np.sqrt(quad) - p_i) / m[non_zero]
+            m[non_zero] = x_i[non_zero] +  (np.sqrt(quad) - p_i[non_zero]) / m[non_zero]
             return m
 
     def to_xml_element(self, element_name):

From 94c91cc6593fa6f61816e06b169dd6c82995bb19 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 2 Jun 2022 23:42:24 -0500
Subject: [PATCH 0381/2654] Adding more mean value tests for sampling
 distributions

---
 tests/unit_tests/test_stats.py | 84 +++++++++++++++++++++++++++++++++-
 1 file changed, 83 insertions(+), 1 deletion(-)

diff --git a/tests/unit_tests/test_stats.py b/tests/unit_tests/test_stats.py
index 532936e42..a3b5cfafb 100644
--- a/tests/unit_tests/test_stats.py
+++ b/tests/unit_tests/test_stats.py
@@ -253,6 +253,88 @@ def test_point():
     d = openmc.stats.Point.from_xml_element(elem)
     assert d.xyz == pytest.approx(p)
 
+
+def test_discrete():
+
+    vals = np.array([1.0, 2.0, 3.0])
+    probs = np.array([0.1, 0.7, 0.2])
+
+    exp_mean = (vals * probs).sum()
+
+    d = openmc.stats.Discrete(vals, probs)
+
+    # sample discrete distribution
+    n_samples = 1_000_000
+    samples = d.sample(n_samples, seed=100)
+    # check that the mean of the samples is close to the true mean
+    assert samples.mean() == pytest.approx(exp_mean, rel=1e-02)
+
+
+def test_uniform():
+
+    lower = 1.1
+    upper = 23.3
+
+    exp_mean = 0.5 * (lower + upper)
+
+    d = openmc.stats.Uniform(lower, upper)
+
+    # sample the uniform distribution
+    n_samples = 1_000_000
+    samples = d.sample(n_samples, seed=100)
+    assert samples.mean() == pytest.approx(exp_mean, rel=1e-02)
+
+
+def test_power_law():
+
+    lower = 0.0
+    upper = 1.0
+    exponent = 2.0
+
+    d = openmc.stats.PowerLaw(lower, upper, exponent)
+
+    exp_mean = (exponent + 1) / (exponent + 2)
+
+    # sample power law distribution
+    n_samples = 1_000_000
+    samples = d.sample(n_samples, seed=100)
+    assert samples.mean() == pytest.approx(exp_mean, rel=1e-02)
+
+
+def test_maxwell():
+    theta = 1000
+
+    exp_mean = 0
+
+    d = openmc.stats.Maxwell(theta)
+
+    exp_mean = 3/2 * theta
+
+    # sample maxwell distribution
+    n_samples = 1_000_000
+    samples = d.sample(n_samples, seed=100)
+    assert samples.mean() == pytest.approx(exp_mean, rel=1e-02)
+
+def test_watt():
+
+    a = 10
+    b = 20
+
+    d = openmc.stats.Watt(a, b)
+
+    # mean value form adapted from
+    # "Prompt-fission-neutron average energy for 238U(n, f ) from
+    # threshold to 200 MeV" Ethvignot et. al.
+    # https://doi.org/10.1016/j.physletb.2003.09.048
+    exp_mean = 3/2 * a + a**2 * b / 4
+
+    # sample Watt distribution
+    n_samples = 100_000
+    samples = d.sample(n_samples, seed=100)
+    assert samples.mean() == pytest.approx(exp_mean, rel=1e-02)
+
+
+
 def test_normal():
     mean = 10.0
     std_dev = 2.0
@@ -293,7 +375,7 @@ def test_muir():
     assert d.kt == pytest.approx(temp)
     assert len(d) == 3
 
-    # sample normal distribution
+    # sample muir distribution
     n_samples = 10000
     samples = d.sample(n_samples, seed=100)
     samples = np.abs(samples - mean)

From e0d82e48782fc02cdf84481dbf91f775427607fe Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 8 Jun 2022 06:37:07 -0500
Subject: [PATCH 0382/2654] Use utf-8 encoding when reading dose coefficient
 files (thanks Fabricio Gatti)

---
 openmc/data/effective_dose/dose.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/data/effective_dose/dose.py b/openmc/data/effective_dose/dose.py
index 6ceb2c09e..eb8fe9f35 100644
--- a/openmc/data/effective_dose/dose.py
+++ b/openmc/data/effective_dose/dose.py
@@ -23,7 +23,7 @@ def _load_dose_icrp116():
     """Load effective dose tables from text files"""
     for particle, filename in _FILES:
         path = Path(__file__).parent / filename
-        data = np.loadtxt(path, skiprows=3)
+        data = np.loadtxt(path, skiprows=3, encoding='utf-8')
         data[:, 0] *= 1e6   # Change energies to eV
         _DOSE_ICRP116[particle] = data
 

From e030b748360c833f63fe38a760f89b3ce03e396e Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Wed, 8 Jun 2022 17:28:33 +0100
Subject: [PATCH 0383/2654] add get_activity

---
 openmc/data/data.py | 3565 +++++++++++++++++++++++++++++++++++++++++++
 openmc/material.py  |   16 +
 2 files changed, 3581 insertions(+)

diff --git a/openmc/data/data.py b/openmc/data/data.py
index a1d0ee1dc..48a98dedd 100644
--- a/openmc/data/data.py
+++ b/openmc/data/data.py
@@ -177,6 +177,3571 @@ ATOMIC_SYMBOL = {0: 'n', 1: 'H', 2: 'He', 3: 'Li', 4: 'Be', 5: 'B', 6: 'C',
                  118: 'Og'}
 ATOMIC_NUMBER = {value: key for key, value in ATOMIC_SYMBOL.items()}
 
+# Half life values are from ENDF/B VII.1 and have units of seconds
+HALF_LIFE = {
+    "H3": 388789600.0,
+    "H4": 9.90652e-23,
+    "H5": 7.99473e-23,
+    "H6": 2.84812e-22,
+    "H7": 2.3e-23,
+    "He5": 7.595e-22,
+    "He6": 0.8067,
+    "He7": 3.038e-21,
+    "He8": 0.1191,
+    "He9": 7e-21,
+    "He10": 1.519e-21,
+    "Li4": 7.55721e-23,
+    "Li5": 3.06868e-22,
+    "Li8": 0.838,
+    "Li9": 0.1783,
+    "Li10": 2e-21,
+    "Li11": 0.00859,
+    "Li12": 1e-08,
+    "Be5": 1e-09,
+    "Be6": 4.95326e-21,
+    "Be8": 8.18132e-17,
+    "Be10": 47652000000000.0,
+    "Be11": 13.81,
+    "Be12": 0.0213,
+    "Be13": 2.7e-21,
+    "Be14": 0.00435,
+    "Be15": 2e-07,
+    "Be16": 2e-07,
+    "B6": 1e-09,
+    "B7": 3.255e-22,
+    "B8": 0.77,
+    "B9": 8.43888e-19,
+    "B12": 0.0202,
+    "B13": 0.01736,
+    "B14": 0.0125,
+    "B15": 0.00993,
+    "B16": 1.9e-10,
+    "B17": 0.00508,
+    "B18": 2.6e-08,
+    "B19": 0.00292,
+    "C8": 1.9813e-21,
+    "C9": 0.1265,
+    "C10": 19.29,
+    "C11": 1223.1,
+    "C14": 179878000000.0,
+    "C15": 2.449,
+    "C16": 0.747,
+    "C17": 0.193,
+    "C18": 0.092,
+    "C19": 0.049,
+    "C20": 0.0145,
+    "C21": 3e-08,
+    "C22": 0.0062,
+    "N10": 2e-22,
+    "N11": 3.12742e-22,
+    "N12": 0.011,
+    "N13": 597.9,
+    "N16": 7.13,
+    "N17": 4.171,
+    "N18": 0.624,
+    "N19": 0.271,
+    "N20": 0.13,
+    "N21": 0.085,
+    "N22": 0.024,
+    "N23": 0.0145,
+    "N24": 5.2e-08,
+    "N25": 2.6e-07,
+    "O12": 1.13925e-21,
+    "O13": 0.00858,
+    "O14": 70.606,
+    "O15": 122.24,
+    "O19": 26.88,
+    "O20": 13.51,
+    "O21": 3.42,
+    "O22": 2.25,
+    "O23": 0.0905,
+    "O24": 0.065,
+    "O25": 5e-08,
+    "O26": 4e-08,
+    "O27": 2.6e-07,
+    "O28": 1e-07,
+    "F14": 5.0007e-22,
+    "F15": 4.557e-22,
+    "F16": 1.13925e-20,
+    "F17": 64.49,
+    "F18": 6586.2,
+    "F20": 11.163,
+    "F21": 4.158,
+    "F22": 4.23,
+    "F23": 2.23,
+    "F24": 0.39,
+    "F25": 0.05,
+    "F26": 0.0096,
+    "F27": 0.005,
+    "F28": 4e-08,
+    "F29": 0.0025,
+    "F30": 2.6e-07,
+    "F31": 2.5e-07,
+    "Ne16": 3.73524e-21,
+    "Ne17": 0.1092,
+    "Ne18": 1.672,
+    "Ne19": 17.22,
+    "Ne23": 37.24,
+    "Ne24": 202.8,
+    "Ne25": 0.602,
+    "Ne26": 0.197,
+    "Ne27": 0.032,
+    "Ne28": 0.0189,
+    "Ne29": 0.0148,
+    "Ne30": 0.0073,
+    "Ne31": 0.0034,
+    "Ne32": 0.0035,
+    "Ne33": 1.8e-07,
+    "Ne34": 6e-08,
+    "Na18": 1.3e-21,
+    "Na19": 4e-08,
+    "Na20": 0.4479,
+    "Na21": 22.49,
+    "Na22": 82134970.0,
+    "Na24": 53989.2,
+    "Na24_m1": 0.02018,
+    "Na25": 59.1,
+    "Na26": 1.077,
+    "Na27": 0.301,
+    "Na28": 0.0305,
+    "Na29": 0.0449,
+    "Na30": 0.048,
+    "Na31": 0.017,
+    "Na32": 0.0132,
+    "Na33": 0.008,
+    "Na34": 0.0055,
+    "Na35": 0.0015,
+    "Na36": 1.8e-07,
+    "Na37": 6e-08,
+    "Mg19": 4e-12,
+    "Mg20": 0.0908,
+    "Mg21": 0.122,
+    "Mg22": 3.8755,
+    "Mg23": 11.317,
+    "Mg27": 567.48,
+    "Mg28": 75294.0,
+    "Mg29": 1.3,
+    "Mg30": 0.335,
+    "Mg31": 0.232,
+    "Mg32": 0.086,
+    "Mg33": 0.0905,
+    "Mg34": 0.02,
+    "Mg35": 0.07,
+    "Mg36": 0.0039,
+    "Mg37": 2.6e-07,
+    "Mg38": 2.6e-07,
+    "Mg39": 1.8e-07,
+    "Mg40": 1.7e-07,
+    "Al21": 3.5e-08,
+    "Al22": 0.059,
+    "Al23": 0.47,
+    "Al24": 2.053,
+    "Al24_m1": 0.13,
+    "Al25": 7.183,
+    "Al26": 22626800000000.0,
+    "Al26_m1": 6.3452,
+    "Al28": 134.484,
+    "Al29": 393.6,
+    "Al30": 3.62,
+    "Al31": 0.644,
+    "Al32": 0.033,
+    "Al33": 0.0417,
+    "Al34": 0.042,
+    "Al35": 0.0386,
+    "Al36": 0.09,
+    "Al37": 0.0107,
+    "Al38": 0.0076,
+    "Al39": 7.6e-06,
+    "Al40": 2.6e-07,
+    "Al41": 2.6e-07,
+    "Al42": 1.7e-07,
+    "Si22": 0.029,
+    "Si23": 0.0423,
+    "Si24": 0.14,
+    "Si25": 0.22,
+    "Si26": 2.234,
+    "Si27": 4.16,
+    "Si31": 9438.0,
+    "Si32": 4828310000.0,
+    "Si33": 6.11,
+    "Si34": 2.77,
+    "Si35": 0.78,
+    "Si36": 0.45,
+    "Si37": 0.09,
+    "Si38": 1e-06,
+    "Si39": 0.0475,
+    "Si40": 0.033,
+    "Si41": 0.02,
+    "Si42": 0.0125,
+    "Si43": 6e-08,
+    "Si44": 3.6e-07,
+    "P24": 0.0074,
+    "P25": 3e-08,
+    "P26": 0.0437,
+    "P27": 0.26,
+    "P28": 0.2703,
+    "P29": 4.142,
+    "P30": 149.88,
+    "P32": 1232323.0,
+    "P33": 2189376.0,
+    "P34": 12.43,
+    "P35": 47.3,
+    "P36": 5.6,
+    "P37": 2.31,
+    "P38": 0.64,
+    "P39": 0.28,
+    "P40": 0.125,
+    "P41": 0.1,
+    "P42": 0.0485,
+    "P43": 0.0365,
+    "P44": 0.0185,
+    "P45": 2e-07,
+    "P46": 2e-07,
+    "S26": 0.01,
+    "S27": 0.0155,
+    "S28": 0.125,
+    "S29": 0.187,
+    "S30": 1.178,
+    "S31": 2.572,
+    "S35": 7560864.0,
+    "S37": 303.0,
+    "S38": 10218.0,
+    "S39": 11.5,
+    "S40": 8.8,
+    "S41": 1.99,
+    "S42": 1.013,
+    "S43": 0.28,
+    "S44": 0.1,
+    "S45": 0.068,
+    "S46": 0.05,
+    "S48": 2e-07,
+    "S49": 2e-07,
+    "Cl28": 0.0017,
+    "Cl29": 2e-08,
+    "Cl30": 3e-08,
+    "Cl31": 0.15,
+    "Cl32": 0.298,
+    "Cl33": 2.511,
+    "Cl34": 1.5264,
+    "Cl34_m1": 1920.0,
+    "Cl36": 9498840000000.0,
+    "Cl38": 2233.8,
+    "Cl38_m1": 0.715,
+    "Cl39": 3336.0,
+    "Cl40": 81.0,
+    "Cl41": 38.4,
+    "Cl42": 6.8,
+    "Cl43": 3.13,
+    "Cl44": 0.56,
+    "Cl45": 0.413,
+    "Cl46": 0.232,
+    "Cl47": 0.101,
+    "Cl48": 2e-07,
+    "Cl49": 1.7e-07,
+    "Cl50": 0.02,
+    "Cl51": 2e-07,
+    "Ar30": 2e-08,
+    "Ar31": 0.0151,
+    "Ar32": 0.098,
+    "Ar33": 0.173,
+    "Ar34": 0.8445,
+    "Ar35": 1.775,
+    "Ar37": 3027456.0,
+    "Ar39": 8488990000.0,
+    "Ar41": 6576.6,
+    "Ar42": 1038250000.0,
+    "Ar43": 322.2,
+    "Ar44": 712.2,
+    "Ar45": 21.48,
+    "Ar46": 8.4,
+    "Ar47": 1.23,
+    "Ar48": 0.475,
+    "Ar49": 0.17,
+    "Ar50": 0.085,
+    "Ar51": 2e-07,
+    "Ar52": 0.01,
+    "Ar53": 0.003,
+    "K32": 0.0033,
+    "K33": 2.5e-08,
+    "K34": 2.5e-08,
+    "K35": 0.178,
+    "K36": 0.342,
+    "K37": 1.226,
+    "K38": 458.16,
+    "K38_m1": 0.924,
+    "K40": 3.93839e16,
+    "K42": 44496.0,
+    "K43": 80280.0,
+    "K44": 1327.8,
+    "K45": 1068.6,
+    "K46": 105.0,
+    "K47": 17.5,
+    "K48": 6.8,
+    "K49": 1.26,
+    "K50": 0.472,
+    "K51": 0.365,
+    "K52": 0.105,
+    "K53": 0.03,
+    "K54": 0.01,
+    "K55": 0.003,
+    "Ca34": 3.5e-08,
+    "Ca35": 0.0257,
+    "Ca36": 0.102,
+    "Ca37": 0.1811,
+    "Ca38": 0.44,
+    "Ca39": 0.8596,
+    "Ca41": 3218880000000.0,
+    "Ca45": 14049500.0,
+    "Ca47": 391910.4,
+    "Ca48": 7.25824e26,
+    "Ca49": 523.08,
+    "Ca50": 13.9,
+    "Ca51": 10.0,
+    "Ca52": 4.6,
+    "Ca53": 0.09,
+    "Ca54": 0.086,
+    "Ca55": 0.022,
+    "Ca56": 0.01,
+    "Ca57": 0.005,
+    "Sc36": 0.0088,
+    "Sc37": 0.056,
+    "Sc38": 0.0423,
+    "Sc39": 3e-07,
+    "Sc40": 0.1823,
+    "Sc41": 0.5963,
+    "Sc42": 0.6808,
+    "Sc42_m1": 62.0,
+    "Sc43": 14007.6,
+    "Sc44": 14292.0,
+    "Sc44_m1": 210996.0,
+    "Sc45_m1": 0.318,
+    "Sc46": 7239456.0,
+    "Sc46_m1": 18.75,
+    "Sc47": 289370.9,
+    "Sc48": 157212.0,
+    "Sc49": 3430.8,
+    "Sc50": 102.5,
+    "Sc50_m1": 0.35,
+    "Sc51": 12.4,
+    "Sc52": 8.2,
+    "Sc53": 3.0,
+    "Sc54": 0.36,
+    "Sc55": 0.105,
+    "Sc56": 0.06,
+    "Sc57": 0.013,
+    "Sc58": 0.012,
+    "Sc59": 0.01,
+    "Sc60": 0.003,
+    "Ti38": 1.2e-07,
+    "Ti39": 0.032,
+    "Ti40": 0.0533,
+    "Ti41": 0.0804,
+    "Ti42": 0.199,
+    "Ti43": 0.509,
+    "Ti44": 1893460000.0,
+    "Ti45": 11088.0,
+    "Ti51": 345.6,
+    "Ti52": 102.0,
+    "Ti53": 32.7,
+    "Ti54": 1.5,
+    "Ti55": 1.3,
+    "Ti56": 0.2,
+    "Ti57": 0.06,
+    "Ti58": 0.059,
+    "Ti59": 0.03,
+    "Ti60": 0.022,
+    "Ti61": 3e-07,
+    "Ti62": 0.01,
+    "Ti63": 0.003,
+    "V40": 0.0077,
+    "V41": 0.0244,
+    "V42": 5.5e-08,
+    "V43": 0.8,
+    "V44": 0.111,
+    "V44_m1": 0.15,
+    "V45": 0.547,
+    "V46": 0.4225,
+    "V46_m1": 0.00102,
+    "V47": 1956.0,
+    "V48": 1380110.0,
+    "V49": 28512000.0,
+    "V50": 4.41806e24,
+    "V52": 224.58,
+    "V53": 92.58,
+    "V54": 49.8,
+    "V55": 6.54,
+    "V56": 0.216,
+    "V57": 0.35,
+    "V58": 0.185,
+    "V59": 0.075,
+    "V60": 0.068,
+    "V61": 0.047,
+    "V62": 1.5e-07,
+    "V63": 0.017,
+    "V64": 0.019,
+    "V65": 0.01,
+    "Cr42": 0.014,
+    "Cr43": 0.0216,
+    "Cr44": 0.0535,
+    "Cr45": 0.0609,
+    "Cr46": 0.26,
+    "Cr47": 0.5,
+    "Cr48": 77616.0,
+    "Cr49": 2538.0,
+    "Cr51": 2393366.0,
+    "Cr55": 209.82,
+    "Cr56": 356.4,
+    "Cr57": 21.1,
+    "Cr58": 7.0,
+    "Cr59": 0.46,
+    "Cr60": 0.49,
+    "Cr61": 0.27,
+    "Cr62": 0.19,
+    "Cr63": 0.129,
+    "Cr64": 0.043,
+    "Cr65": 0.027,
+    "Cr66": 0.01,
+    "Cr67": 0.05,
+    "Mn44": 1.05e-07,
+    "Mn45": 7e-08,
+    "Mn46": 0.0345,
+    "Mn47": 0.1,
+    "Mn48": 0.1581,
+    "Mn49": 0.382,
+    "Mn50": 0.28319,
+    "Mn50_m1": 105.0,
+    "Mn51": 2772.0,
+    "Mn52": 483062.4,
+    "Mn52_m1": 1266.0,
+    "Mn53": 116763000000000.0,
+    "Mn54": 26961120.0,
+    "Mn56": 9284.04,
+    "Mn57": 85.4,
+    "Mn58": 3.0,
+    "Mn58_m1": 65.4,
+    "Mn59": 4.59,
+    "Mn60": 51.0,
+    "Mn60_m1": 1.77,
+    "Mn61": 0.67,
+    "Mn62": 0.671,
+    "Mn62_m1": 0.092,
+    "Mn63": 0.29,
+    "Mn64": 0.09,
+    "Mn65": 0.092,
+    "Mn66": 0.064,
+    "Mn67": 0.047,
+    "Mn68": 0.028,
+    "Mn69": 0.014,
+    "Fe45": 0.00203,
+    "Fe46": 0.013,
+    "Fe47": 0.0219,
+    "Fe48": 0.044,
+    "Fe49": 0.0647,
+    "Fe50": 0.155,
+    "Fe51": 0.305,
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+    "Lr262": 14400.0,
+    "Lr263": 18000.0,
+    "Rf253": 5.15e-05,
+    "Rf254": 2.3e-05,
+    "Rf255": 1.68,
+    "Rf256": 0.0064,
+    "Rf257": 4.7,
+    "Rf257_m1": 3.9,
+    "Rf258": 0.012,
+    "Rf259": 3.2,
+    "Rf260": 0.021,
+    "Rf261": 65.0,
+    "Rf261_m1": 81.0,
+    "Rf262": 2.3,
+    "Rf263": 600.0,
+    "Rf264": 3600.0,
+    "Rf265": 1.0,
+    "Db255": 1.7,
+    "Db256": 1.7,
+    "Db257": 1.52,
+    "Db257_m1": 0.78,
+    "Db258": 4.0,
+    "Db258_m1": 20.0,
+    "Db259": 0.51,
+    "Db260": 1.52,
+    "Db261": 1.8,
+    "Db262": 35.0,
+    "Db263": 28.5,
+    "Db264": 180.0,
+    "Db265": 900.0,
+    "Sg258": 0.0032,
+    "Sg259": 0.555,
+    "Sg260": 0.0036,
+    "Sg261": 0.23,
+    "Sg262": 0.0079,
+    "Sg263": 1.0,
+    "Sg263_m1": 0.12,
+    "Sg264": 0.045,
+    "Sg265": 8.0,
+    "Sg266": 25.0,
+    "Sg269": 50.0,
+    "Bh260": 0.0003,
+    "Bh261": 0.013,
+    "Bh262": 0.102,
+    "Bh262_m1": 0.022,
+    "Bh263": 0.0002,
+    "Bh264": 0.66,
+    "Bh265": 1.1,
+    "Bh266": 5.4,
+    "Bh267": 21.0,
+    "Bh269": 50.0,
+    "Hs263": 0.00355,
+    "Hs264": 0.0008,
+    "Hs265": 0.00205,
+    "Hs265_m1": 0.0003,
+    "Hs266": 0.00265,
+    "Hs267": 0.0545,
+    "Hs268": 1.2,
+    "Hs269": 12.9,
+    "Hs273": 50.0,
+    "Mt265": 120.0,
+    "Mt266": 0.0018,
+    "Mt266_m1": 0.0017,
+    "Mt267": 0.01,
+    "Mt268": 0.0225,
+    "Mt269": 0.05,
+    "Mt270": 0.00605,
+    "Mt271": 5.0,
+    "Mt273": 20.0,
+    "Ds267": 2.8e-06,
+    "Ds268": 0.0001,
+    "Ds269": 0.000268,
+    "Ds270": 0.00015,
+    "Ds270_m1": 0.009,
+    "Ds271": 0.001705,
+    "Ds271_m1": 0.0865,
+    "Ds272": 1.0,
+    "Ds273": 0.000225,
+    "Ds279_m1": 0.19,
+    "Rg272": 0.0041,
+}
+
+
 # Values here are from the Committee on Data for Science and Technology
 # (CODATA) 2018 recommendation (https://physics.nist.gov/cuu/Constants/).
 
diff --git a/openmc/material.py b/openmc/material.py
index e5c3f8e4b..5952162f6 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -3,6 +3,7 @@ from collections.abc import Iterable
 from copy import deepcopy
 from numbers import Real
 from pathlib import Path
+import math
 import re
 import warnings
 from xml.etree import ElementTree as ET
@@ -705,6 +706,21 @@ class Material(IDManagerMixin):
     def make_isotropic_in_lab(self):
         self.isotropic = [x.name for x in self._nuclides]
 
+
+    def get_activity(self):
+        """Returns the total activity of the material in Becquerels."""
+
+        atoms_per_barn_cm2 = self.get_nuclide_atom_densities()
+        total_activity = 0
+        for key, value in atoms_per_barn_cm2.items():
+            if key in openmc.data.HALF_LIFE.keys():
+                atoms = value[1] * self.volume * 1e24
+                activity = 0.693 * atoms / openmc.data.HALF_LIFE[key]
+                print('activity', activity)
+                total_activity += activity
+
+        return total_activity
+
     def get_elements(self):
         """Returns all elements in the material
 

From 5bf60560afa3f7036a928395fd26bded949bfffb Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Wed, 8 Jun 2022 17:31:30 +0100
Subject: [PATCH 0384/2654] removed import math

---
 openmc/material.py | 1 -
 1 file changed, 1 deletion(-)

diff --git a/openmc/material.py b/openmc/material.py
index 5952162f6..fc1fd1646 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -3,7 +3,6 @@ from collections.abc import Iterable
 from copy import deepcopy
 from numbers import Real
 from pathlib import Path
-import math
 import re
 import warnings
 from xml.etree import ElementTree as ET

From 47e242551d23a2285e3353b8a91b1efd91c66740 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Wed, 8 Jun 2022 17:34:10 +0100
Subject: [PATCH 0385/2654] using math to get ln(2)

---
 openmc/material.py | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/openmc/material.py b/openmc/material.py
index fc1fd1646..b62ba4142 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -3,6 +3,7 @@ from collections.abc import Iterable
 from copy import deepcopy
 from numbers import Real
 from pathlib import Path
+import math
 import re
 import warnings
 from xml.etree import ElementTree as ET
@@ -714,7 +715,7 @@ class Material(IDManagerMixin):
         for key, value in atoms_per_barn_cm2.items():
             if key in openmc.data.HALF_LIFE.keys():
                 atoms = value[1] * self.volume * 1e24
-                activity = 0.693 * atoms / openmc.data.HALF_LIFE[key]
+                activity = math.log(2) * atoms / openmc.data.HALF_LIFE[key]
                 print('activity', activity)
                 total_activity += activity
 

From a4661fdca84807af15e19f125f4db30bcbeaca98 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <drshimwell@gmail.com>
Date: Wed, 8 Jun 2022 17:39:40 +0100
Subject: [PATCH 0386/2654] [skip ci] removed print statement

---
 openmc/material.py | 1 -
 1 file changed, 1 deletion(-)

diff --git a/openmc/material.py b/openmc/material.py
index b62ba4142..a9f5afac8 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -716,7 +716,6 @@ class Material(IDManagerMixin):
             if key in openmc.data.HALF_LIFE.keys():
                 atoms = value[1] * self.volume * 1e24
                 activity = math.log(2) * atoms / openmc.data.HALF_LIFE[key]
-                print('activity', activity)
                 total_activity += activity
 
         return total_activity

From 9dc84fdb1859c73886b1f7596f30d3f6b9fa2cc9 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 9 Jun 2022 01:17:46 -0500
Subject: [PATCH 0387/2654] Always normalize distributions when sampling.
 Adding normalization method for tabular.

---
 openmc/stats/univariate.py | 16 ++++++++++++----
 1 file changed, 12 insertions(+), 4 deletions(-)

diff --git a/openmc/stats/univariate.py b/openmc/stats/univariate.py
index 120dc62b6..df1a72150 100644
--- a/openmc/stats/univariate.py
+++ b/openmc/stats/univariate.py
@@ -890,12 +890,17 @@ class Tabular(Univariate):
         c = np.zeros_like(self.x)
         x = np.asarray(self.x)
         p = np.asarray(self.p)
+
         if self.interpolation == 'histogram':
             c[1:] = p[:-1] * np.diff(x)
         elif self.interpolation == 'linear-linear':
             c[1:] = 0.5 * (p[0:-1] + p[1:]) * np.diff(x)
+
         return np.cumsum(c)
 
+    def normalize(self):
+        self.p = self.p / self.cdf().max()
+
     def sample(self, n_samples=1, seed=None):
         if not self.interpolation in ('histogram', 'linear-linear'):
             raise NotImplementedError('Can only sample tabular distributions '
@@ -904,6 +909,9 @@ class Tabular(Univariate):
         np.random.seed(seed)
         xi = np.random.rand(n_samples)
         cdf = self.cdf()
+        cdf /= cdf.max()
+        # always use normalized probabilities when sampling
+        p = self.p / cdf.max()
 
         # get CDF bins that are above the
         # sampled values
@@ -918,7 +926,7 @@ class Tabular(Univariate):
         # the random number is less than the next cdf
         # entry
         x_i = np.array([self.x[i] for i in cdf_idx])
-        p_i = np.array([self.p[i] for i in cdf_idx])
+        p_i = np.array([p[i] for i in cdf_idx])
 
         # TODO: check that probability doesn't exceed the last value
 
@@ -936,7 +944,7 @@ class Tabular(Univariate):
             # get variable and probability values for the
             # next entry
             x_i1 = np.array([self.x[i+1] for i in cdf_idx])
-            p_i1 = np.array([self.p[i+1] for i in cdf_idx])
+            p_i1 = np.array([p[i+1] for i in cdf_idx])
             # compute slope between entries
             m = (p_i1 - p_i) / (x_i1 - x_i)
             # set values for zero slope
@@ -944,9 +952,9 @@ class Tabular(Univariate):
             m[zero] = x_i[zero] + (xi[zero] - c_i[zero]) / p_i[zero]
             # set values for non-zero slope
             non_zero = ~zero
-            quad = np.power(p_i[non_zero], 2) + 2. * m[non_zero] * (xi[non_zero] - c_i[non_zero])
+            quad = np.power(p_i[non_zero], 2) + 2.0 * m[non_zero] * (xi[non_zero] - c_i[non_zero])
             quad[quad < 0.0] = 0.0
-            m[non_zero] = x_i[non_zero] +  (np.sqrt(quad) - p_i[non_zero]) / m[non_zero]
+            m[non_zero] = x_i[non_zero] + (np.sqrt(quad) - p_i[non_zero]) / m[non_zero]
             return m
 
     def to_xml_element(self, element_name):

From 85b6566fd74c9c082ee943dd8d64a8138a119259 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 9 Jun 2022 01:18:17 -0500
Subject: [PATCH 0388/2654] Updating tabular means. Removing re-defined
 functions

---
 tests/unit_tests/test_stats.py | 174 +++++++++++++++++----------------
 1 file changed, 88 insertions(+), 86 deletions(-)

diff --git a/tests/unit_tests/test_stats.py b/tests/unit_tests/test_stats.py
index a3b5cfafb..f847970c0 100644
--- a/tests/unit_tests/test_stats.py
+++ b/tests/unit_tests/test_stats.py
@@ -26,6 +26,20 @@ def test_discrete():
     assert d2.p == [1.0]
     assert len(d2) == 1
 
+    vals = np.array([1.0, 2.0, 3.0])
+    probs = np.array([0.1, 0.7, 0.2])
+
+    exp_mean = (vals * probs).sum()
+
+    d3 = openmc.stats.Discrete(vals, probs)
+
+    # sample discrete distribution
+    n_samples = 1_000_000
+    samples = d3.sample(n_samples, seed=100)
+    # check that the mean of the samples is close to the true mean
+    assert samples.mean() == pytest.approx(exp_mean, rel=1e-02)
+
+
 
 def test_merge_discrete():
     x1 = [0.0, 1.0, 10.0]
@@ -65,9 +79,14 @@ def test_uniform():
     assert t.p == [1/(b-a), 1/(b-a)]
     assert t.interpolation == 'histogram'
 
+    exp_mean = 0.5 * (a + b)
+    n_samples = 1_000_000
+    samples = d.sample(n_samples, seed=100)
+    assert samples.mean() == pytest.approx(exp_mean, rel=1e-02)
+
 
 def test_powerlaw():
-    a, b, n = 10.0, 20.0, 2.0
+    a, b, n = 10.0, 100.0, 2.0
     d = openmc.stats.PowerLaw(a, b, n)
     elem = d.to_xml_element('distribution')
 
@@ -77,6 +96,13 @@ def test_powerlaw():
     assert d.n == n
     assert len(d) == 3
 
+    exp_mean = 100.0 * (n+1) / (n+2)
+
+    # sample power law distribution
+    n_samples = 1_000_000
+    samples = d.sample(n_samples, seed=100)
+    assert samples.mean() == pytest.approx(exp_mean, rel=1e-02)
+
 
 def test_maxwell():
     theta = 1.2895e6
@@ -87,6 +113,14 @@ def test_maxwell():
     assert d.theta == theta
     assert len(d) == 1
 
+    exp_mean = 3/2 * theta
+
+    # sample maxwell distribution
+    n_samples = 1_000_000
+    samples = d.sample(n_samples, seed=100)
+    assert samples.mean() == pytest.approx(exp_mean, rel=1e-02)
+
+
 
 def test_watt():
     a, b = 0.965e6, 2.29e-6
@@ -98,19 +132,68 @@ def test_watt():
     assert d.b == b
     assert len(d) == 2
 
+    d = openmc.stats.Watt(a, b)
+
+    # mean value form adapted from
+    # "Prompt-fission-neutron average energy for 238U(n, f ) from
+    # threshold to 200 MeV" Ethvignot et. al.
+    # https://doi.org/10.1016/j.physletb.2003.09.048
+    exp_mean = 3/2 * a + a**2 * b / 4
+
+    # sample Watt distribution
+    n_samples = 1_000_000
+    samples = d.sample(n_samples, seed=100)
+    assert samples.mean() == pytest.approx(exp_mean, rel=1e-03)
+
 
 def test_tabular():
-    x = [0.0, 5.0, 7.0]
-    p = [0.1, 0.2, 0.05]
+    x = np.array([0.0, 5.0, 7.0])
+    p = np.array([0.1, 0.2, 0.05])
     d = openmc.stats.Tabular(x, p, 'linear-linear')
     elem = d.to_xml_element('distribution')
 
     d = openmc.stats.Tabular.from_xml_element(elem)
-    assert d.x == x
-    assert d.p == p
+    assert all(d.x == x)
+    assert all(d.p == p)
     assert d.interpolation == 'linear-linear'
     assert len(d) == len(x)
 
+    # test linear-lienar sampling
+    d = openmc.stats.Tabular(x, p)
+
+    # compute the expected value (mean) of the
+    # piecewise pdf
+    mean = 0.0
+    d.normalize()
+    for i in range(1, len(x)):
+        y_min = d.p[i-1]
+        y_max = d.p[i]
+        x_min = d.x[i-1]
+        x_max = d.x[i]
+
+        m = (y_max - y_min) / (x_max - x_min)
+
+        exp_val = (1./3.) * m * (x_max**3 - x_min**3)
+        exp_val += 0.5 * m * x_min * (x_min**2 - x_max**2)
+        exp_val += 0.5 * y_min * (x_max**2 - x_min**2)
+
+        mean += exp_val
+
+    n_samples = 100_000
+    samples = d.sample(n_samples, seed=100)
+    assert samples.mean() == pytest.approx(mean, rel=1e-03)
+
+    # test histogram sampling
+    d = openmc.stats.Tabular(x, p, interpolation='histogram')
+    d.normalize()
+
+    mean = 0.5 * (x[:-1] + x[1:])
+    mean *= np.diff(d.cdf())
+    mean = sum(mean)
+
+    samples = d.sample(n_samples, seed=100)
+    assert samples.mean() == pytest.approx(mean, rel=1e-03)
+
 
 def test_legendre():
     # Pu239 elastic scattering at 100 keV
@@ -254,87 +337,6 @@ def test_point():
     assert d.xyz == pytest.approx(p)
 
 
-def test_discrete():
-
-    vals = np.array([1.0, 2.0, 3.0])
-    probs = np.array([0.1, 0.7, 0.2])
-
-    exp_mean = (vals * probs).sum()
-
-    d = openmc.stats.Discrete(vals, probs)
-
-    # sample discrete distribution
-    n_samples = 1_000_000
-    samples = d.sample(n_samples, seed=100)
-    # check that the mean of the samples is close to the true mean
-    assert samples.mean() == pytest.approx(exp_mean, rel=1e-02)
-
-
-def test_uniform():
-
-    lower = 1.1
-    upper = 23.3
-
-    exp_mean = 0.5 * (lower + upper)
-
-    d = openmc.stats.Uniform(lower, upper)
-
-    # sample the uniform distribution
-    n_samples = 1_000_000
-    samples = d.sample(n_samples, seed=100)
-    assert samples.mean() == pytest.approx(exp_mean, rel=1e-02)
-
-
-def test_power_law():
-
-    lower = 0.0
-    upper = 1.0
-    exponent = 2.0
-
-    d = openmc.stats.PowerLaw(lower, upper, exponent)
-
-    exp_mean = (exponent + 1) / (exponent + 2)
-
-    # sample power law distribution
-    n_samples = 1_000_000
-    samples = d.sample(n_samples, seed=100)
-    assert samples.mean() == pytest.approx(exp_mean, rel=1e-02)
-
-
-def test_maxwell():
-    theta = 1000
-
-    exp_mean = 0
-
-    d = openmc.stats.Maxwell(theta)
-
-    exp_mean = 3/2 * theta
-
-    # sample maxwell distribution
-    n_samples = 1_000_000
-    samples = d.sample(n_samples, seed=100)
-    assert samples.mean() == pytest.approx(exp_mean, rel=1e-02)
-
-def test_watt():
-
-    a = 10
-    b = 20
-
-    d = openmc.stats.Watt(a, b)
-
-    # mean value form adapted from
-    # "Prompt-fission-neutron average energy for 238U(n, f ) from
-    # threshold to 200 MeV" Ethvignot et. al.
-    # https://doi.org/10.1016/j.physletb.2003.09.048
-    exp_mean = 3/2 * a + a**2 * b / 4
-
-    # sample Watt distribution
-    n_samples = 100_000
-    samples = d.sample(n_samples, seed=100)
-    assert samples.mean() == pytest.approx(exp_mean, rel=1e-02)
-
-
-
 def test_normal():
     mean = 10.0
     std_dev = 2.0

From 1e83df9dc1d6709cfcb181fb818f6e7e28bb85d0 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 9 Jun 2022 01:20:30 -0500
Subject: [PATCH 0389/2654] Removing re-defined distribution

---
 tests/unit_tests/test_stats.py | 2 --
 1 file changed, 2 deletions(-)

diff --git a/tests/unit_tests/test_stats.py b/tests/unit_tests/test_stats.py
index f847970c0..8e38a7b48 100644
--- a/tests/unit_tests/test_stats.py
+++ b/tests/unit_tests/test_stats.py
@@ -132,8 +132,6 @@ def test_watt():
     assert d.b == b
     assert len(d) == 2
 
-    d = openmc.stats.Watt(a, b)
-
     # mean value form adapted from
     # "Prompt-fission-neutron average energy for 238U(n, f ) from
     # threshold to 200 MeV" Ethvignot et. al.

From e1fd9959bc3aeb9d69005d5e5e971d11b441850f Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 9 Jun 2022 08:00:17 -0500
Subject: [PATCH 0390/2654] A little cleanup

---
 openmc/stats/univariate.py | 6 +++---
 1 file changed, 3 insertions(+), 3 deletions(-)

diff --git a/openmc/stats/univariate.py b/openmc/stats/univariate.py
index df1a72150..d733b6193 100644
--- a/openmc/stats/univariate.py
+++ b/openmc/stats/univariate.py
@@ -566,7 +566,7 @@ class Watt(Univariate):
         w = Maxwell.sample_maxwell(self.a, n_samples)
         u = np.random.uniform(-1., 1., n_samples)
         aab = self.a * self.a * self.b
-        return w + 0.25*aab + u * np.sqrt(aab*w)
+        return w + 0.25*aab + u*np.sqrt(aab*w)
 
     def to_xml_element(self, element_name):
         """Return XML representation of the Watt distribution
@@ -769,7 +769,7 @@ class Muir(Univariate):
         return np.sqrt(4.*self.e0*self.kt/self.m_rat)
 
     def sample(self, n_samples=1, seed=None):
-        # https://permalink.lanl.gov/object/tr?what=info:lanl-repo/lareport/LA-05411-MS
+        # Based on LANL report LA-05411-MS
         np.random.seed(seed)
         return np.random.normal(self.e0, self.std_dev, n_samples)
 
@@ -899,7 +899,7 @@ class Tabular(Univariate):
         return np.cumsum(c)
 
     def normalize(self):
-        self.p = self.p / self.cdf().max()
+        self.p = np.asarray(self.p) / self.cdf().max()
 
     def sample(self, n_samples=1, seed=None):
         if not self.interpolation in ('histogram', 'linear-linear'):

From 1234e0b17c4443b5602eda59125945fab610412b Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Thu, 9 Jun 2022 14:59:28 +0100
Subject: [PATCH 0391/2654] review suggestions from @PaulRomano

---
 openmc/data/data.py               | 3602 +----------------------------
 openmc/data/half_life.json        | 3563 ++++++++++++++++++++++++++++
 openmc/material.py                |   36 +-
 tests/unit_tests/test_material.py |   18 +
 4 files changed, 3636 insertions(+), 3583 deletions(-)
 create mode 100644 openmc/data/half_life.json

diff --git a/openmc/data/data.py b/openmc/data/data.py
index 48a98dedd..65702f7a5 100644
--- a/openmc/data/data.py
+++ b/openmc/data/data.py
@@ -1,10 +1,10 @@
 import itertools
-from math import sqrt
+import json
 import os
 import re
+from math import sqrt
 from warnings import warn
 
-
 # Isotopic abundances from Meija J, Coplen T B, et al, "Isotopic compositions
 # of the elements 2013 (IUPAC Technical Report)", Pure. Appl. Chem. 88 (3),
 # pp. 293-306 (2013). The "representative isotopic abundance" values from
@@ -177,3571 +177,6 @@ ATOMIC_SYMBOL = {0: 'n', 1: 'H', 2: 'He', 3: 'Li', 4: 'Be', 5: 'B', 6: 'C',
                  118: 'Og'}
 ATOMIC_NUMBER = {value: key for key, value in ATOMIC_SYMBOL.items()}
 
-# Half life values are from ENDF/B VII.1 and have units of seconds
-HALF_LIFE = {
-    "H3": 388789600.0,
-    "H4": 9.90652e-23,
-    "H5": 7.99473e-23,
-    "H6": 2.84812e-22,
-    "H7": 2.3e-23,
-    "He5": 7.595e-22,
-    "He6": 0.8067,
-    "He7": 3.038e-21,
-    "He8": 0.1191,
-    "He9": 7e-21,
-    "He10": 1.519e-21,
-    "Li4": 7.55721e-23,
-    "Li5": 3.06868e-22,
-    "Li8": 0.838,
-    "Li9": 0.1783,
-    "Li10": 2e-21,
-    "Li11": 0.00859,
-    "Li12": 1e-08,
-    "Be5": 1e-09,
-    "Be6": 4.95326e-21,
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-    "Rn226": 444.0,
-    "Rn227": 20.8,
-    "Rn228": 65.0,
-    "Fr199": 0.015,
-    "Fr200": 0.049,
-    "Fr201": 0.069,
-    "Fr202": 0.3,
-    "Fr202_m1": 0.29,
-    "Fr203": 0.55,
-    "Fr204": 1.7,
-    "Fr204_m1": 2.6,
-    "Fr204_m2": 1.0,
-    "Fr205": 3.8,
-    "Fr206": 16.0,
-    "Fr206_m1": 16.0,
-    "Fr206_m2": 0.7,
-    "Fr207": 14.8,
-    "Fr208": 59.1,
-    "Fr209": 50.0,
-    "Fr210": 190.8,
-    "Fr211": 186.0,
-    "Fr212": 1200.0,
-    "Fr213": 34.82,
-    "Fr214": 0.005,
-    "Fr214_m1": 0.00335,
-    "Fr215": 8.6e-08,
-    "Fr216": 7e-07,
-    "Fr217": 1.9e-05,
-    "Fr218": 0.001,
-    "Fr218_m1": 0.022,
-    "Fr219": 0.02,
-    "Fr220": 27.4,
-    "Fr221": 294.0,
-    "Fr222": 852.0,
-    "Fr223": 1320.0,
-    "Fr224": 199.8,
-    "Fr225": 237.0,
-    "Fr226": 49.0,
-    "Fr227": 148.2,
-    "Fr228": 38.0,
-    "Fr229": 50.2,
-    "Fr230": 19.1,
-    "Fr231": 17.6,
-    "Fr232": 5.5,
-    "Ra202": 0.0275,
-    "Ra203": 0.031,
-    "Ra203_m1": 0.025,
-    "Ra204": 0.0605,
-    "Ra205": 0.22,
-    "Ra205_m1": 0.18,
-    "Ra206": 0.24,
-    "Ra207": 1.3,
-    "Ra207_m1": 0.055,
-    "Ra208": 1.3,
-    "Ra209": 4.6,
-    "Ra210": 3.7,
-    "Ra211": 13.0,
-    "Ra212": 13.0,
-    "Ra213": 163.8,
-    "Ra213_m1": 0.0021,
-    "Ra214": 2.46,
-    "Ra215": 0.00155,
-    "Ra216": 1.82e-07,
-    "Ra217": 1.6e-06,
-    "Ra218": 2.52e-05,
-    "Ra219": 0.01,
-    "Ra220": 0.018,
-    "Ra221": 28.0,
-    "Ra222": 36.17,
-    "Ra223": 987552.0,
-    "Ra224": 316224.0,
-    "Ra225": 1287360.0,
-    "Ra226": 50492200000.0,
-    "Ra227": 2532.0,
-    "Ra228": 181456200.0,
-    "Ra229": 240.0,
-    "Ra230": 5580.0,
-    "Ra231": 103.0,
-    "Ra232": 252.0,
-    "Ra233": 30.0,
-    "Ra234": 30.0,
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-    "Ac206_m1": 0.0395,
-    "Ac207": 0.027,
-    "Ac208": 0.095,
-    "Ac208_m1": 0.025,
-    "Ac209": 0.098,
-    "Ac210": 0.35,
-    "Ac211": 0.21,
-    "Ac212": 0.93,
-    "Ac213": 0.8,
-    "Ac214": 8.2,
-    "Ac215": 0.17,
-    "Ac216": 0.00044,
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-    "Ac218": 1.08e-06,
-    "Ac219": 1.18e-05,
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-    "Ac221": 0.052,
-    "Ac222": 5.0,
-    "Ac222_m1": 63.0,
-    "Ac223": 126.0,
-    "Ac224": 10008.0,
-    "Ac225": 864000.0,
-    "Ac226": 105732.0,
-    "Ac227": 687072100.0,
-    "Ac228": 22140.0,
-    "Ac229": 3762.0,
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-    "Ac231": 450.0,
-    "Ac232": 119.0,
-    "Ac233": 145.0,
-    "Ac234": 44.0,
-    "Ac235": 60.0,
-    "Ac236": 120.0,
-    "Th209": 0.0065,
-    "Th210": 0.016,
-    "Th211": 0.05,
-    "Th212": 0.035,
-    "Th213": 0.14,
-    "Th214": 0.1,
-    "Th215": 1.2,
-    "Th216": 0.026,
-    "Th217": 0.000251,
-    "Th218": 1.17e-07,
-    "Th219": 1.05e-06,
-    "Th220": 9.7e-06,
-    "Th221": 0.00173,
-    "Th222": 0.002237,
-    "Th223": 0.6,
-    "Th224": 1.05,
-    "Th225": 523.2,
-    "Th226": 1834.2,
-    "Th227": 1613952.0,
-    "Th228": 60338130.0,
-    "Th229": 231633000000.0,
-    "Th230": 2378810000000.0,
-    "Th231": 91872.0,
-    "Th232": 4.43384e17,
-    "Th233": 1338.0,
-    "Th234": 2082240.0,
-    "Th235": 426.0,
-    "Th236": 2238.0,
-    "Th237": 282.0,
-    "Th238": 564.0,
-    "Pa212": 0.0051,
-    "Pa213": 0.0053,
-    "Pa214": 0.017,
-    "Pa215": 0.014,
-    "Pa216": 0.16,
-    "Pa217": 0.0036,
-    "Pa217_m1": 0.0012,
-    "Pa218": 0.000113,
-    "Pa219": 5.3e-08,
-    "Pa220": 7.8e-07,
-    "Pa221": 5.9e-06,
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-    "Pa224": 0.79,
-    "Pa225": 1.7,
-    "Pa226": 108.0,
-    "Pa227": 2298.0,
-    "Pa228": 79200.0,
-    "Pa229": 129600.0,
-    "Pa230": 1503360.0,
-    "Pa231": 1033830000000.0,
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-    "Pa233": 2330640.0,
-    "Pa234": 24120.0,
-    "Pa234_m1": 69.54,
-    "Pa235": 1466.4,
-    "Pa236": 546.0,
-    "Pa237": 522.0,
-    "Pa238": 136.2,
-    "Pa239": 6480.0,
-    "Pa240": 120.0,
-    "U217": 0.0235,
-    "U218": 0.000545,
-    "U219": 4.2e-05,
-    "U220": 6e-08,
-    "U222": 1.3e-06,
-    "U223": 1.8e-05,
-    "U224": 0.0009,
-    "U225": 0.084,
-    "U226": 0.35,
-    "U227": 66.0,
-    "U228": 546.0,
-    "U229": 3480.0,
-    "U230": 1797120.0,
-    "U231": 362880.0,
-    "U232": 2174319000.0,
-    "U233": 5023970000000.0,
-    "U234": 7747390000000.0,
-    "U235": 2.22102e16,
-    "U235_m1": 1560.0,
-    "U236": 739079000000000.0,
-    "U237": 583200.0,
-    "U238": 1.40999e17,
-    "U239": 1407.0,
-    "U240": 50760.0,
-    "U241": 300.0,
-    "U242": 1008.0,
-    "Np225": 2e-06,
-    "Np226": 0.035,
-    "Np227": 0.51,
-    "Np228": 61.4,
-    "Np229": 240.0,
-    "Np230": 276.0,
-    "Np231": 2928.0,
-    "Np232": 882.0,
-    "Np233": 2172.0,
-    "Np234": 380160.0,
-    "Np235": 34231680.0,
-    "Np236": 4828310000000.0,
-    "Np236_m1": 81000.0,
-    "Np237": 67659500000000.0,
-    "Np238": 182908.8,
-    "Np239": 203558.4,
-    "Np240": 3714.0,
-    "Np240_m1": 433.2,
-    "Np241": 834.0,
-    "Np242": 132.0,
-    "Np242_m1": 330.0,
-    "Np243": 111.0,
-    "Np244": 137.4,
-    "Pu228": 1.85,
-    "Pu229": 112.0,
-    "Pu230": 102.0,
-    "Pu231": 516.0,
-    "Pu232": 2028.0,
-    "Pu233": 1254.0,
-    "Pu234": 31680.0,
-    "Pu235": 1518.0,
-    "Pu236": 90191620.0,
-    "Pu237": 3943296.0,
-    "Pu237_m1": 0.18,
-    "Pu238": 2767602000.0,
-    "Pu239": 760854000000.0,
-    "Pu240": 207049000000.0,
-    "Pu241": 450958100.0,
-    "Pu242": 11786800000000.0,
-    "Pu243": 17841.6,
-    "Pu244": 2559320000000000.0,
-    "Pu245": 37800.0,
-    "Pu246": 936576.0,
-    "Pu247": 196128.0,
-    "Am231": 10.0,
-    "Am232": 79.0,
-    "Am233": 192.0,
-    "Am234": 139.2,
-    "Am235": 618.0,
-    "Am236": 216.0,
-    "Am237": 4416.0,
-    "Am238": 5880.0,
-    "Am239": 42840.0,
-    "Am240": 182880.0,
-    "Am241": 13651800000.0,
-    "Am242": 57672.0,
-    "Am242_m1": 4449622000.0,
-    "Am242_m2": 0.014,
-    "Am243": 232580000000.0,
-    "Am244": 36360.0,
-    "Am244_m1": 1560.0,
-    "Am245": 7380.0,
-    "Am246": 2340.0,
-    "Am246_m1": 1500.0,
-    "Am247": 1380.0,
-    "Am248": 600.0,
-    "Am249": 120.0,
-    "Cm233": 17.7,
-    "Cm234": 51.0,
-    "Cm235": 300.0,
-    "Cm236": 1900.0,
-    "Cm237": 1200.0,
-    "Cm238": 8640.0,
-    "Cm239": 10440.0,
-    "Cm240": 2332800.0,
-    "Cm241": 2833920.0,
-    "Cm242": 14078020.0,
-    "Cm243": 918326200.0,
-    "Cm244": 571508100.0,
-    "Cm244_m1": 5e-07,
-    "Cm245": 268240000000.0,
-    "Cm246": 150214000000.0,
-    "Cm247": 492299000000000.0,
-    "Cm248": 10982000000000.0,
-    "Cm249": 3849.0,
-    "Cm250": 261928000000.0,
-    "Cm251": 1008.0,
-    "Bk235": 20.0,
-    "Bk237": 60.0,
-    "Bk238": 144.0,
-    "Bk240": 288.0,
-    "Bk241": 276.0,
-    "Bk242": 420.0,
-    "Bk243": 16200.0,
-    "Bk244": 15660.0,
-    "Bk245": 426816.0,
-    "Bk246": 155520.0,
-    "Bk247": 43549500000.0,
-    "Bk248": 283824000.0,
-    "Bk248_m1": 85320.0,
-    "Bk249": 27648000.0,
-    "Bk250": 11563.2,
-    "Bk251": 3336.0,
-    "Bk253": 600.0,
-    "Bk254": 120.0,
-    "Cf237": 2.1,
-    "Cf238": 0.021,
-    "Cf239": 51.5,
-    "Cf240": 57.6,
-    "Cf241": 226.8,
-    "Cf242": 222.0,
-    "Cf243": 642.0,
-    "Cf244": 1164.0,
-    "Cf245": 2700.0,
-    "Cf246": 128520.0,
-    "Cf247": 11196.0,
-    "Cf248": 28814400.0,
-    "Cf249": 11076700000.0,
-    "Cf250": 412773400.0,
-    "Cf251": 28338700000.0,
-    "Cf252": 83468070.0,
-    "Cf253": 1538784.0,
-    "Cf254": 5227200.0,
-    "Cf255": 5100.0,
-    "Cf256": 738.0,
-    "Es240": 1.0,
-    "Es241": 8.5,
-    "Es242": 13.5,
-    "Es243": 21.0,
-    "Es244": 37.0,
-    "Es245": 66.0,
-    "Es246": 462.0,
-    "Es247": 273.0,
-    "Es247_m1": 54000000.0,
-    "Es248": 1620.0,
-    "Es249": 6132.0,
-    "Es250": 30960.0,
-    "Es250_m1": 7992.0,
-    "Es251": 118800.0,
-    "Es252": 40754880.0,
-    "Es253": 1768608.0,
-    "Es254": 23820480.0,
-    "Es254_m1": 141479.9,
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-    "Es256": 1524.0,
-    "Es256_m1": 27360.0,
-    "Es257": 665280.0,
-    "Es258": 180.0,
-    "Fm242": 0.0008,
-    "Fm243": 0.2,
-    "Fm244": 0.0033,
-    "Fm245": 4.2,
-    "Fm246": 1.1,
-    "Fm247": 29.0,
-    "Fm248": 36.0,
-    "Fm249": 156.0,
-    "Fm250": 1800.0,
-    "Fm250_m1": 1.8,
-    "Fm251": 19080.0,
-    "Fm252": 91404.0,
-    "Fm253": 259200.0,
-    "Fm254": 11664.0,
-    "Fm255": 72252.0,
-    "Fm256": 9456.0,
-    "Fm257": 8683200.0,
-    "Fm258": 0.00037,
-    "Fm259": 1.5,
-    "Fm260": 0.004,
-    "Md245": 0.0009,
-    "Md245_m1": 0.39,
-    "Md246": 0.9,
-    "Md247": 1.12,
-    "Md247_m1": 0.26,
-    "Md248": 7.0,
-    "Md249": 24.0,
-    "Md249_m1": 1.9,
-    "Md250": 27.5,
-    "Md251": 240.0,
-    "Md252": 138.0,
-    "Md253": 630.0,
-    "Md254": 1680.0,
-    "Md254_m1": 1680.0,
-    "Md255": 1620.0,
-    "Md256": 4620.0,
-    "Md257": 19872.0,
-    "Md258": 4449600.0,
-    "Md258_m1": 3420.0,
-    "Md259": 5760.0,
-    "Md260": 2747520.0,
-    "Md261": 2400.0,
-    "No250": 4.35e-06,
-    "No251": 0.8,
-    "No251_m1": 1.02,
-    "No252": 2.44,
-    "No253": 97.2,
-    "No254": 51.0,
-    "No254_m1": 0.28,
-    "No255": 186.0,
-    "No256": 2.91,
-    "No257": 25.0,
-    "No258": 0.0012,
-    "No259": 3480.0,
-    "No260": 0.106,
-    "No261": 160000.0,
-    "No262": 0.005,
-    "Lr251": 1.341,
-    "Lr252": 0.38,
-    "Lr253": 0.575,
-    "Lr253_m1": 1.535,
-    "Lr254": 13.0,
-    "Lr255": 22.0,
-    "Lr255_m1": 2.53,
-    "Lr256": 27.0,
-    "Lr257": 0.646,
-    "Lr258": 4.1,
-    "Lr259": 6.2,
-    "Lr260": 180.0,
-    "Lr261": 2340.0,
-    "Lr262": 14400.0,
-    "Lr263": 18000.0,
-    "Rf253": 5.15e-05,
-    "Rf254": 2.3e-05,
-    "Rf255": 1.68,
-    "Rf256": 0.0064,
-    "Rf257": 4.7,
-    "Rf257_m1": 3.9,
-    "Rf258": 0.012,
-    "Rf259": 3.2,
-    "Rf260": 0.021,
-    "Rf261": 65.0,
-    "Rf261_m1": 81.0,
-    "Rf262": 2.3,
-    "Rf263": 600.0,
-    "Rf264": 3600.0,
-    "Rf265": 1.0,
-    "Db255": 1.7,
-    "Db256": 1.7,
-    "Db257": 1.52,
-    "Db257_m1": 0.78,
-    "Db258": 4.0,
-    "Db258_m1": 20.0,
-    "Db259": 0.51,
-    "Db260": 1.52,
-    "Db261": 1.8,
-    "Db262": 35.0,
-    "Db263": 28.5,
-    "Db264": 180.0,
-    "Db265": 900.0,
-    "Sg258": 0.0032,
-    "Sg259": 0.555,
-    "Sg260": 0.0036,
-    "Sg261": 0.23,
-    "Sg262": 0.0079,
-    "Sg263": 1.0,
-    "Sg263_m1": 0.12,
-    "Sg264": 0.045,
-    "Sg265": 8.0,
-    "Sg266": 25.0,
-    "Sg269": 50.0,
-    "Bh260": 0.0003,
-    "Bh261": 0.013,
-    "Bh262": 0.102,
-    "Bh262_m1": 0.022,
-    "Bh263": 0.0002,
-    "Bh264": 0.66,
-    "Bh265": 1.1,
-    "Bh266": 5.4,
-    "Bh267": 21.0,
-    "Bh269": 50.0,
-    "Hs263": 0.00355,
-    "Hs264": 0.0008,
-    "Hs265": 0.00205,
-    "Hs265_m1": 0.0003,
-    "Hs266": 0.00265,
-    "Hs267": 0.0545,
-    "Hs268": 1.2,
-    "Hs269": 12.9,
-    "Hs273": 50.0,
-    "Mt265": 120.0,
-    "Mt266": 0.0018,
-    "Mt266_m1": 0.0017,
-    "Mt267": 0.01,
-    "Mt268": 0.0225,
-    "Mt269": 0.05,
-    "Mt270": 0.00605,
-    "Mt271": 5.0,
-    "Mt273": 20.0,
-    "Ds267": 2.8e-06,
-    "Ds268": 0.0001,
-    "Ds269": 0.000268,
-    "Ds270": 0.00015,
-    "Ds270_m1": 0.009,
-    "Ds271": 0.001705,
-    "Ds271_m1": 0.0865,
-    "Ds272": 1.0,
-    "Ds273": 0.000225,
-    "Ds279_m1": 0.19,
-    "Rg272": 0.0041,
-}
-
-
 # Values here are from the Committee on Data for Science and Technology
 # (CODATA) 2018 recommendation (https://physics.nist.gov/cuu/Constants/).
 
@@ -3764,6 +199,9 @@ _ATOMIC_MASS = {}
 # Regex for GND nuclide names (used in zam function)
 _GND_NAME_RE = re.compile(r'([A-Zn][a-z]*)(\d+)((?:_[em]\d+)?)')
 
+# Used in half_life function as a cache
+_HALF_LIFE = {}
+
 
 def atomic_mass(isotope):
     """Return atomic mass of isotope in atomic mass units.
@@ -3838,6 +276,36 @@ def atomic_weight(element):
                          .format(element))
 
 
+def half_life(isotope):
+    """Return half-life of isotope in seconds. Returns None if isotope is stable
+
+    Half-life values are from `ENDF/B VIII.0 Decay Reaction Sublibrary
+    <https://www.nndc.bnl.gov/endf-b8.0/download.html>`_.
+
+    Parameters
+    ----------
+    isotope : str
+        Name of isotope, e.g., 'Pu239'
+
+    Returns
+    -------
+    float
+        Half-life of isotope in [seconds]
+
+    """
+    global _HALF_LIFE
+    if not _HALF_LIFE:
+        print('reading json file')
+        # Load data from AME2016 file
+        half_life_filename = os.path.join(os.path.dirname(__file__), 'half_life.json')
+        with open(half_life_filename, 'r') as f:
+            _HALF_LIFE = json.load(f)
+
+    if isotope.title() not in _HALF_LIFE.keys():
+        return None
+
+    return _HALF_LIFE[isotope.title()]
+
 def water_density(temperature, pressure=0.1013):
     """Return the density of liquid water at a given temperature and pressure.
 
diff --git a/openmc/data/half_life.json b/openmc/data/half_life.json
new file mode 100644
index 000000000..bb67da75d
--- /dev/null
+++ b/openmc/data/half_life.json
@@ -0,0 +1,3563 @@
+{
+    "H3": 388789600.0,
+    "H4": 9.90652e-23,
+    "H5": 7.99473e-23,
+    "H6": 2.84812e-22,
+    "H7": 2.3e-23,
+    "He5": 7.595e-22,
+    "He6": 0.8067,
+    "He7": 3.038e-21,
+    "He8": 0.1191,
+    "He9": 7e-21,
+    "He10": 1.519e-21,
+    "Li4": 7.55721e-23,
+    "Li5": 3.06868e-22,
+    "Li8": 0.838,
+    "Li9": 0.1783,
+    "Li10": 2e-21,
+    "Li11": 0.00859,
+    "Li12": 1e-08,
+    "Be5": 1e-09,
+    "Be6": 4.95326e-21,
+    "Be7": 4598208.0,
+    "Be8": 8.18132e-17,
+    "Be10": 47652000000000.0,
+    "Be11": 13.81,
+    "Be12": 0.0213,
+    "Be13": 2.7e-21,
+    "Be14": 0.00435,
+    "Be15": 2e-07,
+    "Be16": 2e-07,
+    "B6": 1e-09,
+    "B7": 3.255e-22,
+    "B8": 0.77,
+    "B9": 8.43888e-19,
+    "B12": 0.0202,
+    "B13": 0.01736,
+    "B14": 0.0125,
+    "B15": 0.00993,
+    "B16": 1.9e-10,
+    "B17": 0.00508,
+    "B18": 2.6e-08,
+    "B19": 0.00292,
+    "C8": 1.9813e-21,
+    "C9": 0.1265,
+    "C10": 19.29,
+    "C11": 1223.1,
+    "C14": 179878000000.0,
+    "C15": 2.449,
+    "C16": 0.747,
+    "C17": 0.193,
+    "C18": 0.092,
+    "C19": 0.049,
+    "C20": 0.0145,
+    "C21": 3e-08,
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+    "Fr225": 237.0,
+    "Fr226": 49.0,
+    "Fr227": 148.2,
+    "Fr228": 38.0,
+    "Fr229": 50.2,
+    "Fr230": 19.1,
+    "Fr231": 17.6,
+    "Fr232": 5.5,
+    "Ra202": 0.0275,
+    "Ra203": 0.031,
+    "Ra203_m1": 0.025,
+    "Ra204": 0.0605,
+    "Ra205": 0.22,
+    "Ra205_m1": 0.18,
+    "Ra206": 0.24,
+    "Ra207": 1.3,
+    "Ra207_m1": 0.055,
+    "Ra208": 1.3,
+    "Ra209": 4.6,
+    "Ra210": 3.7,
+    "Ra211": 13.0,
+    "Ra212": 13.0,
+    "Ra213": 163.8,
+    "Ra213_m1": 0.0021,
+    "Ra214": 2.46,
+    "Ra215": 0.00155,
+    "Ra216": 1.82e-07,
+    "Ra217": 1.6e-06,
+    "Ra218": 2.52e-05,
+    "Ra219": 0.01,
+    "Ra220": 0.018,
+    "Ra221": 28.0,
+    "Ra222": 36.17,
+    "Ra223": 987552.0,
+    "Ra224": 316224.0,
+    "Ra225": 1287360.0,
+    "Ra226": 50492200000.0,
+    "Ra227": 2532.0,
+    "Ra228": 181456200.0,
+    "Ra229": 240.0,
+    "Ra230": 5580.0,
+    "Ra231": 103.0,
+    "Ra232": 252.0,
+    "Ra233": 30.0,
+    "Ra234": 30.0,
+    "Ac206": 0.024,
+    "Ac206_m1": 0.0395,
+    "Ac207": 0.027,
+    "Ac208": 0.095,
+    "Ac208_m1": 0.025,
+    "Ac209": 0.098,
+    "Ac210": 0.35,
+    "Ac211": 0.21,
+    "Ac212": 0.93,
+    "Ac213": 0.8,
+    "Ac214": 8.2,
+    "Ac215": 0.17,
+    "Ac216": 0.00044,
+    "Ac216_m1": 0.000441,
+    "Ac217": 6.9e-08,
+    "Ac218": 1.08e-06,
+    "Ac219": 1.18e-05,
+    "Ac220": 0.0264,
+    "Ac221": 0.052,
+    "Ac222": 5.0,
+    "Ac222_m1": 63.0,
+    "Ac223": 126.0,
+    "Ac224": 10008.0,
+    "Ac225": 864000.0,
+    "Ac226": 105732.0,
+    "Ac227": 687072100.0,
+    "Ac228": 22140.0,
+    "Ac229": 3762.0,
+    "Ac230": 122.0,
+    "Ac231": 450.0,
+    "Ac232": 119.0,
+    "Ac233": 145.0,
+    "Ac234": 44.0,
+    "Ac235": 60.0,
+    "Ac236": 120.0,
+    "Th209": 0.0065,
+    "Th210": 0.016,
+    "Th211": 0.05,
+    "Th212": 0.035,
+    "Th213": 0.14,
+    "Th214": 0.1,
+    "Th215": 1.2,
+    "Th216": 0.026,
+    "Th217": 0.000251,
+    "Th218": 1.17e-07,
+    "Th219": 1.05e-06,
+    "Th220": 9.7e-06,
+    "Th221": 0.00173,
+    "Th222": 0.002237,
+    "Th223": 0.6,
+    "Th224": 1.05,
+    "Th225": 523.2,
+    "Th226": 1834.2,
+    "Th227": 1613952.0,
+    "Th228": 60338130.0,
+    "Th229": 231633000000.0,
+    "Th230": 2378810000000.0,
+    "Th231": 91872.0,
+    "Th232": 4.43384e17,
+    "Th233": 1338.0,
+    "Th234": 2082240.0,
+    "Th235": 426.0,
+    "Th236": 2238.0,
+    "Th237": 282.0,
+    "Th238": 564.0,
+    "Pa212": 0.0051,
+    "Pa213": 0.0053,
+    "Pa214": 0.017,
+    "Pa215": 0.014,
+    "Pa216": 0.16,
+    "Pa217": 0.0036,
+    "Pa217_m1": 0.0012,
+    "Pa218": 0.000113,
+    "Pa219": 5.3e-08,
+    "Pa220": 7.8e-07,
+    "Pa221": 5.9e-06,
+    "Pa222": 0.0033,
+    "Pa223": 0.0051,
+    "Pa224": 0.79,
+    "Pa225": 1.7,
+    "Pa226": 108.0,
+    "Pa227": 2298.0,
+    "Pa228": 79200.0,
+    "Pa229": 129600.0,
+    "Pa230": 1503360.0,
+    "Pa231": 1033830000000.0,
+    "Pa232": 114048.0,
+    "Pa233": 2330640.0,
+    "Pa234": 24120.0,
+    "Pa234_m1": 69.54,
+    "Pa235": 1466.4,
+    "Pa236": 546.0,
+    "Pa237": 522.0,
+    "Pa238": 136.2,
+    "Pa239": 6480.0,
+    "Pa240": 120.0,
+    "U217": 0.0235,
+    "U218": 0.000545,
+    "U219": 4.2e-05,
+    "U220": 6e-08,
+    "U222": 1.3e-06,
+    "U223": 1.8e-05,
+    "U224": 0.0009,
+    "U225": 0.084,
+    "U226": 0.35,
+    "U227": 66.0,
+    "U228": 546.0,
+    "U229": 3480.0,
+    "U230": 1797120.0,
+    "U231": 362880.0,
+    "U232": 2174319000.0,
+    "U233": 5023970000000.0,
+    "U234": 7747390000000.0,
+    "U235": 2.22102e16,
+    "U235_m1": 1560.0,
+    "U236": 739079000000000.0,
+    "U237": 583200.0,
+    "U238": 1.40999e17,
+    "U239": 1407.0,
+    "U240": 50760.0,
+    "U241": 300.0,
+    "U242": 1008.0,
+    "Np225": 2e-06,
+    "Np226": 0.035,
+    "Np227": 0.51,
+    "Np228": 61.4,
+    "Np229": 240.0,
+    "Np230": 276.0,
+    "Np231": 2928.0,
+    "Np232": 882.0,
+    "Np233": 2172.0,
+    "Np234": 380160.0,
+    "Np235": 34231680.0,
+    "Np236": 4828310000000.0,
+    "Np236_m1": 81000.0,
+    "Np237": 67659500000000.0,
+    "Np238": 182908.8,
+    "Np239": 203558.4,
+    "Np240": 3714.0,
+    "Np240_m1": 433.2,
+    "Np241": 834.0,
+    "Np242": 132.0,
+    "Np242_m1": 330.0,
+    "Np243": 111.0,
+    "Np244": 137.4,
+    "Pu228": 1.85,
+    "Pu229": 112.0,
+    "Pu230": 102.0,
+    "Pu231": 516.0,
+    "Pu232": 2028.0,
+    "Pu233": 1254.0,
+    "Pu234": 31680.0,
+    "Pu235": 1518.0,
+    "Pu236": 90191620.0,
+    "Pu237": 3943296.0,
+    "Pu237_m1": 0.18,
+    "Pu238": 2767602000.0,
+    "Pu239": 760854000000.0,
+    "Pu240": 207049000000.0,
+    "Pu241": 450958100.0,
+    "Pu242": 11786800000000.0,
+    "Pu243": 17841.6,
+    "Pu244": 2559320000000000.0,
+    "Pu245": 37800.0,
+    "Pu246": 936576.0,
+    "Pu247": 196128.0,
+    "Am231": 10.0,
+    "Am232": 79.0,
+    "Am233": 192.0,
+    "Am234": 139.2,
+    "Am235": 618.0,
+    "Am236": 216.0,
+    "Am237": 4416.0,
+    "Am238": 5880.0,
+    "Am239": 42840.0,
+    "Am240": 182880.0,
+    "Am241": 13651800000.0,
+    "Am242": 57672.0,
+    "Am242_m1": 4449622000.0,
+    "Am242_m2": 0.014,
+    "Am243": 232580000000.0,
+    "Am244": 36360.0,
+    "Am244_m1": 1560.0,
+    "Am245": 7380.0,
+    "Am246": 2340.0,
+    "Am246_m1": 1500.0,
+    "Am247": 1380.0,
+    "Am248": 600.0,
+    "Am249": 120.0,
+    "Cm233": 17.7,
+    "Cm234": 51.0,
+    "Cm235": 300.0,
+    "Cm236": 1900.0,
+    "Cm237": 1200.0,
+    "Cm238": 8640.0,
+    "Cm239": 10440.0,
+    "Cm240": 2332800.0,
+    "Cm241": 2833920.0,
+    "Cm242": 14078020.0,
+    "Cm243": 918326200.0,
+    "Cm244": 571508100.0,
+    "Cm244_m1": 5e-07,
+    "Cm245": 268240000000.0,
+    "Cm246": 150214000000.0,
+    "Cm247": 492299000000000.0,
+    "Cm248": 10982000000000.0,
+    "Cm249": 3849.0,
+    "Cm250": 261928000000.0,
+    "Cm251": 1008.0,
+    "Bk235": 20.0,
+    "Bk237": 60.0,
+    "Bk238": 144.0,
+    "Bk240": 288.0,
+    "Bk241": 276.0,
+    "Bk242": 420.0,
+    "Bk243": 16200.0,
+    "Bk244": 15660.0,
+    "Bk245": 426816.0,
+    "Bk246": 155520.0,
+    "Bk247": 43549500000.0,
+    "Bk248": 283824000.0,
+    "Bk248_m1": 85320.0,
+    "Bk249": 27648000.0,
+    "Bk250": 11563.2,
+    "Bk251": 3336.0,
+    "Bk253": 600.0,
+    "Bk254": 120.0,
+    "Cf237": 2.1,
+    "Cf238": 0.021,
+    "Cf239": 51.5,
+    "Cf240": 57.6,
+    "Cf241": 226.8,
+    "Cf242": 222.0,
+    "Cf243": 642.0,
+    "Cf244": 1164.0,
+    "Cf245": 2700.0,
+    "Cf246": 128520.0,
+    "Cf247": 11196.0,
+    "Cf248": 28814400.0,
+    "Cf249": 11076700000.0,
+    "Cf250": 412773400.0,
+    "Cf251": 28338700000.0,
+    "Cf252": 83468070.0,
+    "Cf253": 1538784.0,
+    "Cf254": 5227200.0,
+    "Cf255": 5100.0,
+    "Cf256": 738.0,
+    "Es240": 1.0,
+    "Es241": 8.5,
+    "Es242": 13.5,
+    "Es243": 21.0,
+    "Es244": 37.0,
+    "Es245": 66.0,
+    "Es246": 462.0,
+    "Es247": 273.0,
+    "Es247_m1": 54000000.0,
+    "Es248": 1620.0,
+    "Es249": 6132.0,
+    "Es250": 30960.0,
+    "Es250_m1": 7992.0,
+    "Es251": 118800.0,
+    "Es252": 40754880.0,
+    "Es253": 1768608.0,
+    "Es254": 23820480.0,
+    "Es254_m1": 141479.9,
+    "Es255": 3438720.0,
+    "Es256": 1524.0,
+    "Es256_m1": 27360.0,
+    "Es257": 665280.0,
+    "Es258": 180.0,
+    "Fm242": 0.0008,
+    "Fm243": 0.2,
+    "Fm244": 0.0033,
+    "Fm245": 4.2,
+    "Fm246": 1.1,
+    "Fm247": 29.0,
+    "Fm248": 36.0,
+    "Fm249": 156.0,
+    "Fm250": 1800.0,
+    "Fm250_m1": 1.8,
+    "Fm251": 19080.0,
+    "Fm252": 91404.0,
+    "Fm253": 259200.0,
+    "Fm254": 11664.0,
+    "Fm255": 72252.0,
+    "Fm256": 9456.0,
+    "Fm257": 8683200.0,
+    "Fm258": 0.00037,
+    "Fm259": 1.5,
+    "Fm260": 0.004,
+    "Md245": 0.0009,
+    "Md245_m1": 0.39,
+    "Md246": 0.9,
+    "Md247": 1.12,
+    "Md247_m1": 0.26,
+    "Md248": 7.0,
+    "Md249": 24.0,
+    "Md249_m1": 1.9,
+    "Md250": 27.5,
+    "Md251": 240.0,
+    "Md252": 138.0,
+    "Md253": 630.0,
+    "Md254": 1680.0,
+    "Md254_m1": 1680.0,
+    "Md255": 1620.0,
+    "Md256": 4620.0,
+    "Md257": 19872.0,
+    "Md258": 4449600.0,
+    "Md258_m1": 3420.0,
+    "Md259": 5760.0,
+    "Md260": 2747520.0,
+    "Md261": 2400.0,
+    "No250": 4.35e-06,
+    "No251": 0.8,
+    "No251_m1": 1.02,
+    "No252": 2.44,
+    "No253": 97.2,
+    "No254": 51.0,
+    "No254_m1": 0.28,
+    "No255": 186.0,
+    "No256": 2.91,
+    "No257": 25.0,
+    "No258": 0.0012,
+    "No259": 3480.0,
+    "No260": 0.106,
+    "No261": 160000.0,
+    "No262": 0.005,
+    "Lr251": 1.341,
+    "Lr252": 0.38,
+    "Lr253": 0.575,
+    "Lr253_m1": 1.535,
+    "Lr254": 13.0,
+    "Lr255": 22.0,
+    "Lr255_m1": 2.53,
+    "Lr256": 27.0,
+    "Lr257": 0.646,
+    "Lr258": 4.1,
+    "Lr259": 6.2,
+    "Lr260": 180.0,
+    "Lr261": 2340.0,
+    "Lr262": 14400.0,
+    "Lr263": 18000.0,
+    "Rf253": 5.15e-05,
+    "Rf254": 2.3e-05,
+    "Rf255": 1.68,
+    "Rf256": 0.0064,
+    "Rf257": 4.7,
+    "Rf257_m1": 3.9,
+    "Rf258": 0.012,
+    "Rf259": 3.2,
+    "Rf260": 0.021,
+    "Rf261": 65.0,
+    "Rf261_m1": 81.0,
+    "Rf262": 2.3,
+    "Rf263": 600.0,
+    "Rf264": 3600.0,
+    "Rf265": 1.0,
+    "Db255": 1.7,
+    "Db256": 1.7,
+    "Db257": 1.52,
+    "Db257_m1": 0.78,
+    "Db258": 4.0,
+    "Db258_m1": 20.0,
+    "Db259": 0.51,
+    "Db260": 1.52,
+    "Db261": 1.8,
+    "Db262": 35.0,
+    "Db263": 28.5,
+    "Db264": 180.0,
+    "Db265": 900.0,
+    "Sg258": 0.0032,
+    "Sg259": 0.555,
+    "Sg260": 0.0036,
+    "Sg261": 0.23,
+    "Sg262": 0.0079,
+    "Sg263": 1.0,
+    "Sg263_m1": 0.12,
+    "Sg264": 0.045,
+    "Sg265": 8.0,
+    "Sg266": 25.0,
+    "Sg269": 50.0,
+    "Bh260": 0.0003,
+    "Bh261": 0.013,
+    "Bh262": 0.102,
+    "Bh262_m1": 0.022,
+    "Bh263": 0.0002,
+    "Bh264": 0.66,
+    "Bh265": 1.1,
+    "Bh266": 5.4,
+    "Bh267": 21.0,
+    "Bh269": 50.0,
+    "Hs263": 0.00355,
+    "Hs264": 0.0008,
+    "Hs265": 0.00205,
+    "Hs265_m1": 0.0003,
+    "Hs266": 0.00265,
+    "Hs267": 0.0545,
+    "Hs268": 1.2,
+    "Hs269": 12.9,
+    "Hs273": 50.0,
+    "Mt265": 120.0,
+    "Mt266": 0.0018,
+    "Mt266_m1": 0.0017,
+    "Mt267": 0.01,
+    "Mt268": 0.0225,
+    "Mt269": 0.05,
+    "Mt270": 0.00605,
+    "Mt271": 5.0,
+    "Mt273": 20.0,
+    "Ds267": 2.8e-06,
+    "Ds268": 0.0001,
+    "Ds269": 0.000268,
+    "Ds270": 0.00015,
+    "Ds270_m1": 0.009,
+    "Ds271": 0.001705,
+    "Ds271_m1": 0.0865,
+    "Ds272": 1.0,
+    "Ds273": 0.000225,
+    "Ds279_m1": 0.19,
+    "Rg272": 0.0041
+}
diff --git a/openmc/material.py b/openmc/material.py
index a9f5afac8..9706ffe78 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -30,9 +30,9 @@ class Material(IDManagerMixin):
 
     To create a material, one should create an instance of this class, add
     nuclides or elements with :meth:`Material.add_nuclide` or
-    `Material.add_element`, respectively, and set the total material density
-    with `Material.set_density()`. The material can then be assigned to a cell
-    using the :attr:`Cell.fill` attribute.
+    :meth:`Material.add_element`, respectively, and set the total material
+    density with :meth:`Material.set_density()`. The material can then be
+    assigned to a cell using the :attr:`Cell.fill` attribute.
 
     Parameters
     ----------
@@ -142,6 +142,23 @@ class Material(IDManagerMixin):
 
         return string
 
+
+    @property
+    def activity(self):
+        """Returns the total activity of the material in Becquerels."""
+
+        atoms_per_barn_cm2 = self.get_nuclide_atom_densities()
+        total_activity = 0
+        for key, value in atoms_per_barn_cm2.items():
+            half_life = openmc.data.half_life(key)
+            print('half_life', half_life)
+            if half_life:
+                atoms = value[1] * self.volume * 1e24
+                activity = math.log(2) * atoms / half_life
+                total_activity += activity
+
+        return total_activity
+
     @property
     def name(self):
         return self._name
@@ -707,19 +724,6 @@ class Material(IDManagerMixin):
         self.isotropic = [x.name for x in self._nuclides]
 
 
-    def get_activity(self):
-        """Returns the total activity of the material in Becquerels."""
-
-        atoms_per_barn_cm2 = self.get_nuclide_atom_densities()
-        total_activity = 0
-        for key, value in atoms_per_barn_cm2.items():
-            if key in openmc.data.HALF_LIFE.keys():
-                atoms = value[1] * self.volume * 1e24
-                activity = math.log(2) * atoms / openmc.data.HALF_LIFE[key]
-                total_activity += activity
-
-        return total_activity
-
     def get_elements(self):
         """Returns all elements in the material
 
diff --git a/tests/unit_tests/test_material.py b/tests/unit_tests/test_material.py
index 02e53a28d..baef3f9ef 100644
--- a/tests/unit_tests/test_material.py
+++ b/tests/unit_tests/test_material.py
@@ -404,3 +404,21 @@ def test_mix_materials():
     assert m3.density == pytest.approx(dens3)
     assert m4.density == pytest.approx(dens4)
     assert m5.density == pytest.approx(dens5)
+
+
+def test_activity_of_stable():
+    """Creates a material with stable isotopes to checks the activity is 0"""
+    m1 = openmc.Material()
+    m1.add_element("Fe", 1)
+    m1.set_density('g/cm3', 1)
+    m1.volume = 1
+    assert m1.activity == 0
+
+
+def test_activity_of_tritium():
+    """Checks that 1g of tritium has the correct activity"""
+    m1 = openmc.Material()
+    m1.add_nuclide("H3", 1)
+    m1.set_density('g/cm3', 1)
+    m1.volume = 1
+    assert pytest.approx(m1.activity) == 3.559778e14 

From e5e1daf23fcf0f332ac2e79542dff36424d863e0 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <drshimwell@gmail.com>
Date: Thu, 9 Jun 2022 15:02:10 +0100
Subject: [PATCH 0392/2654] [skip ci] removed diagnostic prints

---
 openmc/data/data.py               | 1 -
 openmc/material.py                | 2 --
 tests/unit_tests/test_material.py | 1 +
 3 files changed, 1 insertion(+), 3 deletions(-)

diff --git a/openmc/data/data.py b/openmc/data/data.py
index 65702f7a5..5aadfac87 100644
--- a/openmc/data/data.py
+++ b/openmc/data/data.py
@@ -295,7 +295,6 @@ def half_life(isotope):
     """
     global _HALF_LIFE
     if not _HALF_LIFE:
-        print('reading json file')
         # Load data from AME2016 file
         half_life_filename = os.path.join(os.path.dirname(__file__), 'half_life.json')
         with open(half_life_filename, 'r') as f:
diff --git a/openmc/material.py b/openmc/material.py
index 9706ffe78..e49696706 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -151,7 +151,6 @@ class Material(IDManagerMixin):
         total_activity = 0
         for key, value in atoms_per_barn_cm2.items():
             half_life = openmc.data.half_life(key)
-            print('half_life', half_life)
             if half_life:
                 atoms = value[1] * self.volume * 1e24
                 activity = math.log(2) * atoms / half_life
@@ -723,7 +722,6 @@ class Material(IDManagerMixin):
     def make_isotropic_in_lab(self):
         self.isotropic = [x.name for x in self._nuclides]
 
-
     def get_elements(self):
         """Returns all elements in the material
 
diff --git a/tests/unit_tests/test_material.py b/tests/unit_tests/test_material.py
index baef3f9ef..c5d3276a0 100644
--- a/tests/unit_tests/test_material.py
+++ b/tests/unit_tests/test_material.py
@@ -422,3 +422,4 @@ def test_activity_of_tritium():
     m1.set_density('g/cm3', 1)
     m1.volume = 1
     assert pytest.approx(m1.activity) == 3.559778e14 
+

From 61db44f40e33d132d895974852c448beeacc6770 Mon Sep 17 00:00:00 2001
From: myerspat <myerspat@umich.edu>
Date: Thu, 9 Jun 2022 09:52:50 -0500
Subject: [PATCH 0393/2654] Xtensor for photoelectric cross sections matches
 the flux spectrum for uranium of the previous iteration of OpenMC

---
 src/photon.cpp  | 15 +++++++++------
 src/physics.cpp | 22 +++++++++++-----------
 2 files changed, 20 insertions(+), 17 deletions(-)

diff --git a/src/photon.cpp b/src/photon.cpp
index 1be515a62..bb715cdea 100644
--- a/src/photon.cpp
+++ b/src/photon.cpp
@@ -128,7 +128,7 @@ PhotonInteraction::PhotonInteraction(hid_t group)
   }
 
   shells_.resize(n_shell);
-  cross_sections_.resize({energy_.size(), n_shell});
+  cross_sections_ = xt::zeros<double>({energy_.size(), n_shell});
 
   // Create mapping from designator to index
   std::unordered_map<int, int> shell_map;
@@ -166,8 +166,8 @@ PhotonInteraction::PhotonInteraction(hid_t group)
     read_dataset(tgroup, "xs", xs);
 
     auto cross_section = xt::view(cross_sections_,
-      xt::range(shell.threshold, shell.threshold + xs.size()), i);
-    cross_section = xt::where(xs > 0.0, xt::log(xs), -500.0);
+      xt::range(shell.threshold, xt::placeholders::_), i);
+    cross_section = xt::where(xs > 0, xt::log(xs), 0);
 
     if (object_exists(tgroup, "transitions")) {
       // Determine dimensions of transitions
@@ -571,10 +571,13 @@ void PhotonInteraction::calculate_xs(Particle& p) const
     incoherent_(i_grid) + f * (incoherent_(i_grid + 1) - incoherent_(i_grid)));
 
   // Calculate microscopic photoelectric cross section
-  const auto& xs_upper = xt::row(cross_sections_, i_grid);
-  const auto& xs_lower = xt::row(cross_sections_, i_grid + 1);
+  xs.photoelectric = 0.0;
+  const auto& xs_lower = xt::row(cross_sections_, i_grid);
+  const auto& xs_upper = xt::row(cross_sections_, i_grid + 1);
 
-  xs.photoelectric = xt::sum(xt::exp(xs_upper + f * (xs_upper - xs_lower)))[0];
+  for (int i = 0; i < xs_upper.size(); ++i)
+    if (xs_lower(i) != 0)
+      xs.photoelectric += std::exp(xs_lower(i) + f * (xs_upper(i) - xs_lower(i)));
 
   // Calculate microscopic pair production cross section
   xs.pair_production = std::exp(
diff --git a/src/physics.cpp b/src/physics.cpp
index 38d74dbed..26b3a3520 100644
--- a/src/physics.cpp
+++ b/src/physics.cpp
@@ -29,6 +29,7 @@
 
 #include <algorithm> // for max, min, max_element
 #include <cmath>     // for sqrt, exp, log, abs, copysign
+#include <xtensor/xview.hpp>
 
 namespace openmc {
 
@@ -344,25 +345,24 @@ void sample_photon_reaction(Particle& p)
 
   // Photoelectric effect
   double prob_after = prob + micro.photoelectric;
+  int i_grid = micro.index_grid;
+  double f = micro.interp_factor;
+  const auto& xs_lower = xt::row(element.cross_sections_, i_grid);
+  const auto& xs_upper = xt::row(element.cross_sections_, i_grid + 1);
+
   if (prob_after > cutoff) {
     for (int i_shell = 0; i_shell < element.shells_.size(); ++i_shell) {
       const auto& shell {element.shells_[i_shell]};
 
-      // Get grid index and interpolation factor
-      int i_grid = micro.index_grid;
-      double f = micro.interp_factor;
-
       // Check threshold of reaction
-      int i_start = shell.threshold;
-      if (i_grid < i_start)
+      if (xs_lower(i_shell) == 0)
         continue;
 
-      // Evaluation subshell photoionization cross section
-      double xs = std::exp(element.cross_sections_(i_grid - i_start) +
-                           f * (element.cross_sections_(i_grid + 1 - i_start) -
-                                 element.cross_sections_(i_grid - i_start)));
+      //  Evaluation subshell photoionization cross section
+      prob += std::exp(xs_lower(i_shell) +
+                       f * (xs_upper(i_shell) -
+                             xs_lower(i_shell)));
 
-      prob += xs;
       if (prob > cutoff) {
         double E_electron = p.E() - shell.binding_energy;
 

From 70b1706460166ff6d0a05744ad804ef9fd0671ef Mon Sep 17 00:00:00 2001
From: myerspat <myerspat@umich.edu>
Date: Thu, 9 Jun 2022 10:39:46 -0500
Subject: [PATCH 0394/2654] Moved initialized variables into if statement

---
 src/physics.cpp | 10 ++++++----
 1 file changed, 6 insertions(+), 4 deletions(-)

diff --git a/src/physics.cpp b/src/physics.cpp
index 26b3a3520..0df8e63c0 100644
--- a/src/physics.cpp
+++ b/src/physics.cpp
@@ -345,12 +345,14 @@ void sample_photon_reaction(Particle& p)
 
   // Photoelectric effect
   double prob_after = prob + micro.photoelectric;
-  int i_grid = micro.index_grid;
-  double f = micro.interp_factor;
-  const auto& xs_lower = xt::row(element.cross_sections_, i_grid);
-  const auto& xs_upper = xt::row(element.cross_sections_, i_grid + 1);
 
   if (prob_after > cutoff) {
+
+    int i_grid = micro.index_grid;
+    double f = micro.interp_factor;
+    const auto& xs_lower = xt::row(element.cross_sections_, i_grid);
+    const auto& xs_upper = xt::row(element.cross_sections_, i_grid + 1);
+
     for (int i_shell = 0; i_shell < element.shells_.size(); ++i_shell) {
       const auto& shell {element.shells_[i_shell]};
 

From 0e38755a0e7642d9dc4877ca1f5fa8082793c9be Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 9 Jun 2022 08:51:29 -0500
Subject: [PATCH 0395/2654] Region expression: ensure halfspace followed by (
 results in implicit & operator

---
 openmc/region.py                | 5 +++++
 tests/unit_tests/test_region.py | 4 ++++
 2 files changed, 9 insertions(+)

diff --git a/openmc/region.py b/openmc/region.py
index 8efee7c4e..56926187d 100644
--- a/openmc/region.py
+++ b/openmc/region.py
@@ -106,6 +106,11 @@ class Region(ABC):
                 # If special character appears immediately after a non-operator,
                 # create a token with the appropriate half-space
                 if i_start >= 0:
+                    # When an opening parenthesis appears after a non-operator,
+                    # there's an implicit intersection operator between them
+                    if expression[i] == '(':
+                        tokens.append(' ')
+
                     j = int(expression[i_start:i])
                     if j < 0:
                         tokens.append(-surfaces[abs(j)])
diff --git a/tests/unit_tests/test_region.py b/tests/unit_tests/test_region.py
index e75982760..8537e3b80 100644
--- a/tests/unit_tests/test_region.py
+++ b/tests/unit_tests/test_region.py
@@ -204,3 +204,7 @@ def test_from_expression(reset):
     # Make sure ")(" is handled correctly
     r = openmc.Region.from_expression('(-1|2)(2|-3)', surfs)
     assert str(r) == '((-1 | 2) (2 | -3))'
+
+    # Opening parenthesis immediately after halfspace
+    r = openmc.Region.from_expression('1(2|-3)', surfs)
+    assert str(r) == '(1 (2 | -3))'

From aba235e0b46a33cd6dbbb388d52a27f56e149cba Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 10 Jun 2022 08:50:52 -0500
Subject: [PATCH 0396/2654] Update tests/unit_tests/test_stats.py

Co-authored-by: Jonathan Shimwell <drshimwell@gmail.com>
---
 tests/unit_tests/test_stats.py | 5 +++++
 1 file changed, 5 insertions(+)

diff --git a/tests/unit_tests/test_stats.py b/tests/unit_tests/test_stats.py
index 8e38a7b48..c2578ea8b 100644
--- a/tests/unit_tests/test_stats.py
+++ b/tests/unit_tests/test_stats.py
@@ -120,6 +120,11 @@ def test_maxwell():
     samples = d.sample(n_samples, seed=100)
     assert samples.mean() == pytest.approx(exp_mean, rel=1e-02)
 
+    # A second sample with a different seed
+    samples_2 = d.sample(n_samples, seed=200)
+    assert samples_2.mean() == pytest.approx(exp_mean, rel=1e-02)
+    assert samples_2.mean() != samples.mean()
+
 
 
 def test_watt():

From 2f440125d9eab99cc2b5eebf6b3f456a01720d23 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 10 Jun 2022 09:02:26 -0500
Subject: [PATCH 0397/2654] Fix error in documentation (thanks
 @andrewmholcomb). Closes #2082

---
 docs/source/methods/neutron_physics.rst | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/docs/source/methods/neutron_physics.rst b/docs/source/methods/neutron_physics.rst
index bea92f992..f1b0a5bde 100644
--- a/docs/source/methods/neutron_physics.rst
+++ b/docs/source/methods/neutron_physics.rst
@@ -1403,7 +1403,7 @@ given analytically by
 .. math::
     :label: coherent-elastic-angle
 
-    \mu = 1 - \frac{E_i}{E}
+    \mu = 1 - \frac{2E_i}{E}
 
 where :math:`E_i` is the energy of the Bragg edge that scattered the neutron.
 

From 98a7d5eabc972a986a64307bc709dda7ecadaf3d Mon Sep 17 00:00:00 2001
From: myerspat <myerspat@umich.edu>
Date: Fri, 10 Jun 2022 11:57:35 -0500
Subject: [PATCH 0398/2654] added clang format

---
 src/photon.cpp  | 7 ++++---
 src/physics.cpp | 5 ++---
 2 files changed, 6 insertions(+), 6 deletions(-)

diff --git a/src/photon.cpp b/src/photon.cpp
index bb715cdea..85bd435c9 100644
--- a/src/photon.cpp
+++ b/src/photon.cpp
@@ -165,8 +165,8 @@ PhotonInteraction::PhotonInteraction(hid_t group)
     close_dataset(dset);
     read_dataset(tgroup, "xs", xs);
 
-    auto cross_section = xt::view(cross_sections_,
-      xt::range(shell.threshold, xt::placeholders::_), i);
+    auto cross_section = xt::view(
+      cross_sections_, xt::range(shell.threshold, xt::placeholders::_), i);
     cross_section = xt::where(xs > 0, xt::log(xs), 0);
 
     if (object_exists(tgroup, "transitions")) {
@@ -577,7 +577,8 @@ void PhotonInteraction::calculate_xs(Particle& p) const
 
   for (int i = 0; i < xs_upper.size(); ++i)
     if (xs_lower(i) != 0)
-      xs.photoelectric += std::exp(xs_lower(i) + f * (xs_upper(i) - xs_lower(i)));
+      xs.photoelectric +=
+        std::exp(xs_lower(i) + f * (xs_upper(i) - xs_lower(i)));
 
   // Calculate microscopic pair production cross section
   xs.pair_production = std::exp(
diff --git a/src/physics.cpp b/src/physics.cpp
index 0df8e63c0..cc712affd 100644
--- a/src/physics.cpp
+++ b/src/physics.cpp
@@ -361,9 +361,8 @@ void sample_photon_reaction(Particle& p)
         continue;
 
       //  Evaluation subshell photoionization cross section
-      prob += std::exp(xs_lower(i_shell) +
-                       f * (xs_upper(i_shell) -
-                             xs_lower(i_shell)));
+      prob += std::exp(
+        xs_lower(i_shell) + f * (xs_upper(i_shell) - xs_lower(i_shell)));
 
       if (prob > cutoff) {
         double E_electron = p.E() - shell.binding_energy;

From 382867db7feed2cd10223afe8397659edca1695b Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Mon, 13 Jun 2022 12:32:09 -0500
Subject: [PATCH 0399/2654] Address @drewejohnson comments on #2077

---
 openmc/deplete/results.py    | 11 +++++------
 openmc/deplete/stepresult.py |  5 +++--
 2 files changed, 8 insertions(+), 8 deletions(-)

diff --git a/openmc/deplete/results.py b/openmc/deplete/results.py
index 514c04820..c238002fe 100644
--- a/openmc/deplete/results.py
+++ b/openmc/deplete/results.py
@@ -81,9 +81,9 @@ class Results(list):
         .. note::
             Initial values for some isotopes that do not appear in
             initial concentrations may be non-zero, depending on the
-            value of :class:`openmc.deplete.Operator` ``dilute_initial``.
-            The :class:`openmc.deplete.Operator` adds isotopes according
-            to this setting, which can be set to zero.
+            value of the :attr:`openmc.deplete.Operator.dilute_initial`
+            attribute. The :class:`openmc.deplete.Operator` class adds isotopes
+            according to this setting, which can be set to zero.
 
         Parameters
         ----------
@@ -186,6 +186,8 @@ class Results(list):
     def get_keff(self, time_units='s'):
         """Evaluates the eigenvalue from a results list.
 
+        .. versionadded:: 0.13.1
+
         Parameters
         ----------
         time_units : {"s", "d", "h", "min"}, optional
@@ -220,7 +222,6 @@ class Results(list):
              "will be removed in a future version of OpenMC.", FutureWarning)
         return self.get_keff(time_units)
 
-
     def get_depletion_time(self):
         """Return an array of the average time to deplete a material
 
@@ -252,7 +253,6 @@ class Results(list):
     def get_times(self, time_units="d") -> np.ndarray:
         """Return the points in time that define the depletion schedule
 
-
         .. versionadded:: 0.12.1
 
         Parameters
@@ -290,7 +290,6 @@ class Results(list):
         Passing ``atol=math.inf`` and ``rtol=math.inf`` will return
         the closest index to the requested point.
 
-
         .. versionadded:: 0.12.1
 
         Parameters
diff --git a/openmc/deplete/stepresult.py b/openmc/deplete/stepresult.py
index 6f30e934d..6e2373c45 100644
--- a/openmc/deplete/stepresult.py
+++ b/openmc/deplete/stepresult.py
@@ -1,6 +1,7 @@
-"""The results module.
+"""The stepresult module.
 
-Contains results generation and saving capabilities.
+Contains capabilities for generating and saving results of a single depletion
+timestep.
 """
 
 from collections import OrderedDict

From 9a86f7bb413995c66dc6824dd241c46b934477ba Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Tue, 14 Jun 2022 12:29:20 -0500
Subject: [PATCH 0400/2654] move TalliedFissionYieldHelper from abc.py to
 helpers.py

---
 openmc/deplete/abc.py     |  96 +-----------------------------------
 openmc/deplete/helpers.py | 100 ++++++++++++++++++++++++++++++++++++--
 2 files changed, 98 insertions(+), 98 deletions(-)

diff --git a/openmc/deplete/abc.py b/openmc/deplete/abc.py
index 457c51a8a..a4f80e3d6 100644
--- a/openmc/deplete/abc.py
+++ b/openmc/deplete/abc.py
@@ -19,7 +19,6 @@ from warnings import warn
 from numpy import nonzero, empty, asarray
 from uncertainties import ufloat
 
-from openmc.lib import MaterialFilter, Tally
 from openmc.checkvalue import check_type, check_greater_than
 from openmc.mpi import comm
 from .stepresult import StepResult
@@ -30,7 +29,7 @@ from .pool import deplete
 
 __all__ = [
     "OperatorResult", "TransportOperator", "ReactionRateHelper",
-    "NormalizationHelper", "FissionYieldHelper", "TalliedFissionYieldHelper",
+    "NormalizationHelper", "FissionYieldHelper",
     "Integrator", "SIIntegrator", "DepSystemSolver", "add_params"]
 
 
@@ -480,99 +479,6 @@ class FissionYieldHelper(ABC):
         return cls(operator.chain.nuclides, **kwargs)
 
 
-class TalliedFissionYieldHelper(FissionYieldHelper):
-    """Abstract class for computing fission yields with tallies
-
-    Generates a basic fission rate tally in all burnable materials with
-    :meth:`generate_tallies`, and set nuclides to be tallied with
-    :meth:`update_tally_nuclides`. Subclasses will need to implement
-    :meth:`unpack` and :meth:`weighted_yields`.
-
-    Parameters
-    ----------
-    chain_nuclides : iterable of openmc.deplete.Nuclide
-        Nuclides tracked in the depletion chain. Not necessary
-        that all have yield data.
-
-    Attributes
-    ----------
-    constant_yields : dict of str to :class:`openmc.deplete.FissionYield`
-        Fission yields for all nuclides that only have one set of
-        fission yield data. Can be accessed as ``{parent: {product: yield}}``
-    results : None or numpy.ndarray
-        Tally results shaped in a manner useful to this helper.
-    """
-
-    _upper_energy = 20.0e6  # upper energy for tallies
-
-    def __init__(self, chain_nuclides):
-        super().__init__(chain_nuclides)
-        self._local_indexes = None
-        self._fission_rate_tally = None
-        self._tally_nucs = []
-        self.results = None
-
-    def generate_tallies(self, materials, mat_indexes):
-        """Construct the fission rate tally
-
-        Parameters
-        ----------
-        materials : iterable of :class:`openmc.lib.Material`
-            Materials to be used in :class:`openmc.lib.MaterialFilter`
-        mat_indexes : iterable of int
-            Indices of tallied materials that will have their fission
-            yields computed by this helper. Necessary as the
-            :class:`openmc.deplete.Operator` that uses this helper
-            may only burn a subset of all materials when running
-            in parallel mode.
-        """
-        self._local_indexes = asarray(mat_indexes)
-
-        # Tally group-wise fission reaction rates
-        self._fission_rate_tally = Tally()
-        self._fission_rate_tally.writable = False
-        self._fission_rate_tally.scores = ['fission']
-        self._fission_rate_tally.filters = [MaterialFilter(materials)]
-
-    def update_tally_nuclides(self, nuclides):
-        """Tally nuclides with non-zero density and multiple yields
-
-        Must be run after :meth:`generate_tallies`.
-
-        Parameters
-        ----------
-        nuclides : iterable of str
-            Potential nuclides to be tallied, such as those with
-            non-zero density at this stage.
-
-        Returns
-        -------
-        nuclides : list of str
-            Union of input nuclides and those that have multiple sets
-            of yield data.  Sorted by nuclide name
-
-        Raises
-        ------
-        AttributeError
-            If tallies not generated
-        """
-        assert self._fission_rate_tally is not None, (
-                "Run generate_tallies first")
-        overlap = set(self._chain_nuclides).intersection(set(nuclides))
-        nuclides = sorted(overlap)
-        self._tally_nucs = [self._chain_nuclides[n] for n in nuclides]
-        self._fission_rate_tally.nuclides = nuclides
-        return nuclides
-
-    @abstractmethod
-    def unpack(self):
-        """Unpack tallies after a transport run.
-
-        Abstract because each subclass will need to arrange its
-        tally data.
-        """
-
-
 def add_params(cls):
     cls.__doc__ += cls._params
     return cls
diff --git a/openmc/deplete/helpers.py b/openmc/deplete/helpers.py
index f22382923..33bd182d7 100644
--- a/openmc/deplete/helpers.py
+++ b/openmc/deplete/helpers.py
@@ -2,6 +2,7 @@
 Class for normalizing fission energy deposition
 """
 import bisect
+from abc import abstractmethod
 from collections import defaultdict
 from copy import deepcopy
 from itertools import product
@@ -17,14 +18,107 @@ from openmc.lib import (
     Tally, MaterialFilter, EnergyFilter, EnergyFunctionFilter)
 import openmc.lib
 from .abc import (
-    ReactionRateHelper, NormalizationHelper, FissionYieldHelper,
-    TalliedFissionYieldHelper)
+    ReactionRateHelper, NormalizationHelper, FissionYieldHelper)
 
 __all__ = (
     "DirectReactionRateHelper", "ChainFissionHelper", "EnergyScoreHelper"
-    "SourceRateHelper", "ConstantFissionYieldHelper", "FissionYieldCutoffHelper",
+    "SourceRateHelper", "TalliedFissionYieldHelper",
+    "ConstantFissionYieldHelper", "FissionYieldCutoffHelper",
     "AveragedFissionYieldHelper", "FluxCollapseHelper")
 
+class TalliedFissionYieldHelper(FissionYieldHelper):
+    """Abstract class for computing fission yields with tallies
+
+    Generates a basic fission rate tally in all burnable materials with
+    :meth:`generate_tallies`, and set nuclides to be tallied with
+    :meth:`update_tally_nuclides`. Subclasses will need to implement
+    :meth:`unpack` and :meth:`weighted_yields`.
+
+    Parameters
+    ----------
+    chain_nuclides : iterable of openmc.deplete.Nuclide
+        Nuclides tracked in the depletion chain. Not necessary
+        that all have yield data.
+
+    Attributes
+    ----------
+    constant_yields : dict of str to :class:`openmc.deplete.FissionYield`
+        Fission yields for all nuclides that only have one set of
+        fission yield data. Can be accessed as ``{parent: {product: yield}}``
+    results : None or numpy.ndarray
+        Tally results shaped in a manner useful to this helper.
+    """
+
+    _upper_energy = 20.0e6  # upper energy for tallies
+
+    def __init__(self, chain_nuclides):
+        super().__init__(chain_nuclides)
+        self._local_indexes = None
+        self._fission_rate_tally = None
+        self._tally_nucs = []
+        self.results = None
+
+    def generate_tallies(self, materials, mat_indexes):
+        """Construct the fission rate tally
+
+        Parameters
+        ----------
+        materials : iterable of :class:`openmc.lib.Material`
+            Materials to be used in :class:`openmc.lib.MaterialFilter`
+        mat_indexes : iterable of int
+            Indices of tallied materials that will have their fission
+            yields computed by this helper. Necessary as the
+            :class:`openmc.deplete.Operator` that uses this helper
+            may only burn a subset of all materials when running
+            in parallel mode.
+        """
+        self._local_indexes = asarray(mat_indexes)
+
+        # Tally group-wise fission reaction rates
+        self._fission_rate_tally = Tally()
+        self._fission_rate_tally.writable = False
+        self._fission_rate_tally.scores = ['fission']
+        self._fission_rate_tally.filters = [MaterialFilter(materials)]
+
+    def update_tally_nuclides(self, nuclides):
+        """Tally nuclides with non-zero density and multiple yields
+
+        Must be run after :meth:`generate_tallies`.
+
+        Parameters
+        ----------
+        nuclides : iterable of str
+            Potential nuclides to be tallied, such as those with
+            non-zero density at this stage.
+
+        Returns
+        -------
+        nuclides : list of str
+            Union of input nuclides and those that have multiple sets
+            of yield data.  Sorted by nuclide name
+
+        Raises
+        ------
+        AttributeError
+            If tallies not generated
+        """
+        assert self._fission_rate_tally is not None, (
+                "Run generate_tallies first")
+        overlap = set(self._chain_nuclides).intersection(set(nuclides))
+        nuclides = sorted(overlap)
+        self._tally_nucs = [self._chain_nuclides[n] for n in nuclides]
+        self._fission_rate_tally.nuclides = nuclides
+        return nuclides
+
+    @abstractmethod
+    def unpack(self):
+        """Unpack tallies after a transport run.
+
+        Abstract because each subclass will need to arrange its
+        tally data.
+        """
+
+
 # -------------------------------------
 # Helpers for generating reaction rates
 # -------------------------------------

From 8b95bd4ee0fa0ca6e5f054ac5918c3c56da42f4f Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 17 Jun 2022 13:24:36 -0500
Subject: [PATCH 0401/2654] Write material id in DAGMC lost particle message

---
 src/dagmc.cpp | 6 +++++-
 1 file changed, 5 insertions(+), 1 deletion(-)

diff --git a/src/dagmc.cpp b/src/dagmc.cpp
index e780d2e77..0368dbfa7 100644
--- a/src/dagmc.cpp
+++ b/src/dagmc.cpp
@@ -596,8 +596,12 @@ std::pair<double, int32_t> DAGCell::distance(
     dist = INFINITY;
     if (!dagmc_ptr_->is_implicit_complement(vol) ||
         model::universe_map[dag_univ->id_] == model::root_universe) {
+      int32_t material_id = p->material() == MATERIAL_VOID
+                              ? -1
+                              : model::materials[p->material()]->id();
       p->mark_as_lost(
-        fmt::format("No intersection found with DAGMC cell {}", id_));
+        fmt::format("No intersection found with DAGMC cell {}, material {}",
+          id_, material_id));
     }
   }
 

From 1f05c3b016119426b2fe98c8870fda1b2d4f6289 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Sun, 19 Jun 2022 00:59:05 -0500
Subject: [PATCH 0402/2654] Updating marked as lost message for clarity

---
 src/dagmc.cpp | 6 +++---
 1 file changed, 3 insertions(+), 3 deletions(-)

diff --git a/src/dagmc.cpp b/src/dagmc.cpp
index 0368dbfa7..8ce5aabda 100644
--- a/src/dagmc.cpp
+++ b/src/dagmc.cpp
@@ -596,9 +596,9 @@ std::pair<double, int32_t> DAGCell::distance(
     dist = INFINITY;
     if (!dagmc_ptr_->is_implicit_complement(vol) ||
         model::universe_map[dag_univ->id_] == model::root_universe) {
-      int32_t material_id = p->material() == MATERIAL_VOID
-                              ? -1
-                              : model::materials[p->material()]->id();
+      std::string material_id = p->material() == MATERIAL_VOID
+                              ? "-1 (VOID)"
+                              : std::to_string(model::materials[p->material()]->id());
       p->mark_as_lost(
         fmt::format("No intersection found with DAGMC cell {}, material {}",
           id_, material_id));

From 0c3d30e6d1ebf373c7d79de1aeacfce88504609e Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Sun, 19 Jun 2022 09:31:38 -0500
Subject: [PATCH 0403/2654] Update openmc/stats/univariate.py

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/stats/univariate.py | 9 +--------
 1 file changed, 1 insertion(+), 8 deletions(-)

diff --git a/openmc/stats/univariate.py b/openmc/stats/univariate.py
index d733b6193..e4c53c559 100644
--- a/openmc/stats/univariate.py
+++ b/openmc/stats/univariate.py
@@ -139,14 +139,7 @@ class Discrete(Univariate):
     def sample(self, n_samples=1, seed=None):
         np.random.seed(seed)
 
-        if len(self.x) == 1:
-            return np.full((n_samples), self.x[0])
-
-        xi = np.random.rand(n_samples)
-        out = np.zeros_like(xi)
-        for i, c in enumerate(self.cdf()[:-1]):
-            out[xi >= c] = self.x[i]
-        return out
+        return np.random.choice(self.x, n_samples, p=self.p)
 
     def normalize(self):
         norm = sum(self.p)

From f52865854ba41746d58b6621215bb5c223c896f2 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Sun, 19 Jun 2022 09:39:53 -0500
Subject: [PATCH 0404/2654] Apply suggestions from @paulromano

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/stats/univariate.py     | 18 +++++++++---------
 tests/unit_tests/test_stats.py |  2 +-
 2 files changed, 10 insertions(+), 10 deletions(-)

diff --git a/openmc/stats/univariate.py b/openmc/stats/univariate.py
index e4c53c559..6875f4e4f 100644
--- a/openmc/stats/univariate.py
+++ b/openmc/stats/univariate.py
@@ -381,7 +381,7 @@ class PowerLaw(Univariate):
         pwr = self.n + 1
         offset = self.a**pwr
         span = self.b**pwr - offset
-        return np.power(offset + xi * span, (1/pwr))
+        return np.power(offset + xi * span, 1/pwr)
 
     def to_xml_element(self, element_name):
         """Return XML representation of the power law distribution
@@ -463,8 +463,8 @@ class Maxwell(Univariate):
     @staticmethod
     def sample_maxwell(t, n_samples):
         r1, r2, r3 = np.random.rand(3, n_samples)
-        c = np.power(np.cos(0.5 * np.pi * r3), 2)
-        return -t * (np.log(r1) + np.log(r2) * c)
+        c = np.cos(0.5 * np.pi * r3)
+        return -t * (np.log(r1) + np.log(r2) * c * c)
 
     def to_xml_element(self, element_name):
         """Return XML representation of the Maxwellian distribution
@@ -887,7 +887,7 @@ class Tabular(Univariate):
         if self.interpolation == 'histogram':
             c[1:] = p[:-1] * np.diff(x)
         elif self.interpolation == 'linear-linear':
-            c[1:] = 0.5 * (p[0:-1] + p[1:]) * np.diff(x)
+            c[1:] = 0.5 * (p[:-1] + p[1:]) * np.diff(x)
 
         return np.cumsum(c)
 
@@ -909,7 +909,7 @@ class Tabular(Univariate):
         # get CDF bins that are above the
         # sampled values
         c_i = np.full(n_samples, cdf[0])
-        cdf_idx = np.zeros((n_samples,), dtype=int)
+        cdf_idx = np.zeros(n_samples, dtype=int)
         for i, val in enumerate(cdf[:-1]):
             mask = xi > val
             c_i[mask] = val
@@ -918,8 +918,8 @@ class Tabular(Univariate):
         # get table values at each index where
         # the random number is less than the next cdf
         # entry
-        x_i = np.array([self.x[i] for i in cdf_idx])
-        p_i = np.array([p[i] for i in cdf_idx])
+        x_i = self.x[cdf_idx]
+        p_i = self.p[cdf_idx]
 
         # TODO: check that probability doesn't exceed the last value
 
@@ -936,8 +936,8 @@ class Tabular(Univariate):
         elif self.interpolation == 'linear-linear':
             # get variable and probability values for the
             # next entry
-            x_i1 = np.array([self.x[i+1] for i in cdf_idx])
-            p_i1 = np.array([p[i+1] for i in cdf_idx])
+            x_i1 = self.x[cdf_idx + 1]
+            p_i1 = self.p[cdf_idx + 1]
             # compute slope between entries
             m = (p_i1 - p_i) / (x_i1 - x_i)
             # set values for zero slope
diff --git a/tests/unit_tests/test_stats.py b/tests/unit_tests/test_stats.py
index c2578ea8b..f62f2157b 100644
--- a/tests/unit_tests/test_stats.py
+++ b/tests/unit_tests/test_stats.py
@@ -161,7 +161,7 @@ def test_tabular():
     assert d.interpolation == 'linear-linear'
     assert len(d) == len(x)
 
-    # test linear-lienar sampling
+    # test linear-linear sampling
     d = openmc.stats.Tabular(x, p)
 
     # compute the expected value (mean) of the

From f46402fd87f33daf2da4050010973bd00b6c5bae Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Sun, 19 Jun 2022 09:36:31 -0500
Subject: [PATCH 0405/2654] Adding docstrings to normalize methods

---
 openmc/stats/univariate.py | 3 +++
 1 file changed, 3 insertions(+)

diff --git a/openmc/stats/univariate.py b/openmc/stats/univariate.py
index 6875f4e4f..bbac4c030 100644
--- a/openmc/stats/univariate.py
+++ b/openmc/stats/univariate.py
@@ -142,6 +142,7 @@ class Discrete(Univariate):
         return np.random.choice(self.x, n_samples, p=self.p)
 
     def normalize(self):
+        """Normalize the probabilities stored on the distribution"""
         norm = sum(self.p)
         self.p = [val / norm for val in self.p]
 
@@ -892,6 +893,7 @@ class Tabular(Univariate):
         return np.cumsum(c)
 
     def normalize(self):
+        """Normalize the probabilities stored on the distribution"""
         self.p = np.asarray(self.p) / self.cdf().max()
 
     def sample(self, n_samples=1, seed=None):
@@ -1115,6 +1117,7 @@ class Mixture(Univariate):
         return out
 
     def normalize(self):
+        """Normalize the probabilities stored on the distribution"""
         norm = sum(self.probability)
         self.probability = [val / norm for val in self.probability]
 

From 862189985b42253cebe12bcd6fc2888c954f6c09 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Sun, 19 Jun 2022 09:51:45 -0500
Subject: [PATCH 0406/2654] Check that output values do not exceed values in
 tabulated dist

---
 openmc/stats/univariate.py | 11 +++++++----
 1 file changed, 7 insertions(+), 4 deletions(-)

diff --git a/openmc/stats/univariate.py b/openmc/stats/univariate.py
index bbac4c030..630bb665b 100644
--- a/openmc/stats/univariate.py
+++ b/openmc/stats/univariate.py
@@ -923,8 +923,6 @@ class Tabular(Univariate):
         x_i = self.x[cdf_idx]
         p_i = self.p[cdf_idx]
 
-        # TODO: check that probability doesn't exceed the last value
-
         if self.interpolation == 'histogram':
             # mask where probability is greater than zero
             pos_mask = p_i > 0.0
@@ -934,7 +932,9 @@ class Tabular(Univariate):
                            / p_i[pos_mask]
             # probabilities smaller than zero are set to the random number value
             p_i[~pos_mask] = x_i[~pos_mask]
-            return p_i
+
+            samples_out = p_i
+
         elif self.interpolation == 'linear-linear':
             # get variable and probability values for the
             # next entry
@@ -950,7 +950,10 @@ class Tabular(Univariate):
             quad = np.power(p_i[non_zero], 2) + 2.0 * m[non_zero] * (xi[non_zero] - c_i[non_zero])
             quad[quad < 0.0] = 0.0
             m[non_zero] = x_i[non_zero] + (np.sqrt(quad) - p_i[non_zero]) / m[non_zero]
-            return m
+            samples_out = m
+
+        assert all(samples_out < self.x[-1])
+        return samples_out
 
     def to_xml_element(self, element_name):
         """Return XML representation of the tabular distribution

From 967fc9f88bd7b22373505253eec7d5d6af3f7a4a Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Sun, 19 Jun 2022 10:00:27 -0500
Subject: [PATCH 0407/2654] Adding a 'mean' method to tabular dist

---
 openmc/stats/univariate.py     | 30 +++++++++++++++++++++++++++++-
 tests/unit_tests/test_stats.py | 27 ++-------------------------
 2 files changed, 31 insertions(+), 26 deletions(-)

diff --git a/openmc/stats/univariate.py b/openmc/stats/univariate.py
index 630bb665b..ae89cb79f 100644
--- a/openmc/stats/univariate.py
+++ b/openmc/stats/univariate.py
@@ -138,7 +138,6 @@ class Discrete(Univariate):
 
     def sample(self, n_samples=1, seed=None):
         np.random.seed(seed)
-
         return np.random.choice(self.x, n_samples, p=self.p)
 
     def normalize(self):
@@ -892,6 +891,35 @@ class Tabular(Univariate):
 
         return np.cumsum(c)
 
+    def mean(self):
+        """Compute the mean of the tabular distribution"""
+        if not self.interpolation in ('histogram', 'linear-linear'):
+            raise NotImplementedError('Can only compute mean for tabular '
+                                      'distributions using histogram '
+                                      'or linear-linear interpolation.')
+        if self.interpolation == 'linear-linear':
+            mean = 0.0
+            self.normalize()
+            for i in range(1, len(self.x)):
+                y_min = self.p[i-1]
+                y_max = self.p[i]
+                x_min = self.x[i-1]
+                x_max = self.x[i]
+
+                m = (y_max - y_min) / (x_max - x_min)
+
+                exp_val = (1./3.) * m * (x_max**3 - x_min**3)
+                exp_val += 0.5 * m * x_min * (x_min**2 - x_max**2)
+                exp_val += 0.5 * y_min * (x_max**2 - x_min**2)
+                mean += exp_val
+
+        elif self.interpolation == 'histogram':
+            mean = 0.5 * (self.x[:-1] + self.x[1:])
+            mean *= np.diff(self.cdf())
+            mean = sum(mean)
+
+        return mean
+
     def normalize(self):
         """Normalize the probabilities stored on the distribution"""
         self.p = np.asarray(self.p) / self.cdf().max()
diff --git a/tests/unit_tests/test_stats.py b/tests/unit_tests/test_stats.py
index f62f2157b..f789a0dca 100644
--- a/tests/unit_tests/test_stats.py
+++ b/tests/unit_tests/test_stats.py
@@ -40,7 +40,6 @@ def test_discrete():
     assert samples.mean() == pytest.approx(exp_mean, rel=1e-02)
 
 
-
 def test_merge_discrete():
     x1 = [0.0, 1.0, 10.0]
     p1 = [0.3, 0.2, 0.5]
@@ -164,38 +163,16 @@ def test_tabular():
     # test linear-linear sampling
     d = openmc.stats.Tabular(x, p)
 
-    # compute the expected value (mean) of the
-    # piecewise pdf
-    mean = 0.0
-    d.normalize()
-    for i in range(1, len(x)):
-        y_min = d.p[i-1]
-        y_max = d.p[i]
-        x_min = d.x[i-1]
-        x_max = d.x[i]
-
-        m = (y_max - y_min) / (x_max - x_min)
-
-        exp_val = (1./3.) * m * (x_max**3 - x_min**3)
-        exp_val += 0.5 * m * x_min * (x_min**2 - x_max**2)
-        exp_val += 0.5 * y_min * (x_max**2 - x_min**2)
-
-        mean += exp_val
-
     n_samples = 100_000
     samples = d.sample(n_samples, seed=100)
-    assert samples.mean() == pytest.approx(mean, rel=1e-03)
+    assert samples.mean() == pytest.approx(d.mean(), rel=1e-03)
 
     # test histogram sampling
     d = openmc.stats.Tabular(x, p, interpolation='histogram')
     d.normalize()
 
-    mean = 0.5 * (x[:-1] + x[1:])
-    mean *= np.diff(d.cdf())
-    mean = sum(mean)
-
     samples = d.sample(n_samples, seed=100)
-    assert samples.mean() == pytest.approx(mean, rel=1e-03)
+    assert samples.mean() == pytest.approx(d.mean(), rel=1e-03)
 
 
 def test_legendre():

From f92ea393f23a602ef56227e057091fd4a6f811d3 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Mon, 20 Jun 2022 06:39:55 -0500
Subject: [PATCH 0408/2654] Using np.random.choice in Mixture class

---
 openmc/stats/univariate.py | 7 ++-----
 1 file changed, 2 insertions(+), 5 deletions(-)

diff --git a/openmc/stats/univariate.py b/openmc/stats/univariate.py
index ae89cb79f..5528bdb30 100644
--- a/openmc/stats/univariate.py
+++ b/openmc/stats/univariate.py
@@ -1135,12 +1135,9 @@ class Mixture(Univariate):
 
     def sample(self, n_samples=1, seed=None):
         np.random.seed(seed)
-        xi = np.random.rand(n_samples)
-        idx = np.zeros_like(xi, dtype=int)
-        for i, c in enumerate(self.cdf()[:-1]):
-            idx[xi >= c] = i
+        idx = np.random.choice(self.distribution, n_samples, p=self.probability)
 
-        out = np.zeros_like(xi)
+        out = np.zeros_like(idx)
         for i in np.unique(idx):
             n_dist_samples = np.count_nonzero(idx == i)
             samples = self.distribution[i].sample(n_dist_samples)

From acd6c567c3e44b3cdee15278728f0d1f8e8918ea Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <drshimwell@gmail.com>
Date: Tue, 21 Jun 2022 14:19:45 +0000
Subject: [PATCH 0409/2654] added test for remove eleemnt

---
 tests/unit_tests/test_material.py | 11 +++++++++++
 1 file changed, 11 insertions(+)

diff --git a/tests/unit_tests/test_material.py b/tests/unit_tests/test_material.py
index 02e53a28d..3a976da99 100644
--- a/tests/unit_tests/test_material.py
+++ b/tests/unit_tests/test_material.py
@@ -38,6 +38,17 @@ def test_remove_nuclide():
     assert m.nuclides[1].percent == 2.0
 
 
+def test_remove_elements():
+    """Test removing elements."""
+    m = openmc.Material()
+    for elem, percent in [('Li', 1.0), ('Be', 1.0)]:
+        m.add_element(elem, percent)
+    m.remove_nuclide('Li')
+    assert len(m.nuclides) == 1
+    assert m.nuclides == ['Be9']
+    assert m.nuclides[0].percent == 1.0
+
+
 def test_elements():
     """Test adding elements."""
     m = openmc.Material()

From 8fe6c8244cd4e3988d39558d3069b2770099d395 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 21 Jun 2022 14:58:39 -0500
Subject: [PATCH 0410/2654] Set CMP0128 to NEW for recent versions of CMake

---
 CMakeLists.txt | 11 ++++++++---
 1 file changed, 8 insertions(+), 3 deletions(-)

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 3cf72db20..85dcd7084 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -17,10 +17,15 @@ set(CMAKE_RUNTIME_OUTPUT_DIRECTORY ${CMAKE_BINARY_DIR}/bin)
 set(CMAKE_MODULE_PATH ${CMAKE_CURRENT_SOURCE_DIR}/cmake/Modules)
 
 # Allow user to specify <project>_ROOT variables
-if (NOT (CMAKE_VERSION VERSION_LESS 3.12))
+if (CMAKE_VERSION VERSION_GREATER_EQUAL 3.12)
   cmake_policy(SET CMP0074 NEW)
 endif()
 
+# Enable correct usage of CXX_EXTENSIONS
+if (CMAKE_VERSION VERSION_GREATER_EQUAL 3.22)
+  cmake_policy(SET CMP0128 NEW)
+endif()
+
 #===============================================================================
 # Command line options
 #===============================================================================
@@ -118,7 +123,7 @@ endif()
 # Version 1.12 of HDF5 deprecates the H5Oget_info_by_idx() interface.
 # Thus, we give these flags to allow usage of the old interface in newer
 # versions of HDF5.
-if(NOT (${HDF5_VERSION} VERSION_LESS 1.12.0))
+if(${HDF5_VERSION} VERSION_GREATER_EQUAL 1.12.0)
   list(APPEND cxxflags -DH5Oget_info_by_idx_vers=1 -DH5O_info_t_vers=1)
 endif()
 
@@ -205,7 +210,7 @@ endif()
 #===============================================================================
 
 # CMake 3.13+ will complain about policy CMP0079 unless it is set explicitly
-if (NOT (CMAKE_VERSION VERSION_LESS 3.13))
+if (CMAKE_VERSION VERSION_GREATER_EQUAL 3.13)
   cmake_policy(SET CMP0079 NEW)
 endif()
 

From 7bbc778fd7bb56dcb98eb787c14f711cae78711f Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <drshimwell@gmail.com>
Date: Tue, 21 Jun 2022 23:27:44 +0100
Subject: [PATCH 0411/2654] [skip ci] review suggestions from @paulromano

---
 openmc/data/data.py | 1 +
 1 file changed, 1 insertion(+)

diff --git a/openmc/data/data.py b/openmc/data/data.py
index 5aadfac87..914c6c622 100644
--- a/openmc/data/data.py
+++ b/openmc/data/data.py
@@ -2,6 +2,7 @@ import itertools
 import json
 import os
 import re
+from pathlib import Path
 from math import sqrt
 from warnings import warn
 

From 87dafd1e3167a814f4e5b148e82242817cbf02e1 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <drshimwell@gmail.com>
Date: Tue, 21 Jun 2022 23:14:49 +0000
Subject: [PATCH 0412/2654] review comments from @paulromano

---
 docs/source/pythonapi/data.rst | 1 +
 openmc/material.py             | 5 +++--
 setup.py                       | 2 +-
 3 files changed, 5 insertions(+), 3 deletions(-)

diff --git a/docs/source/pythonapi/data.rst b/docs/source/pythonapi/data.rst
index 95fdfeca9..6f5c006c2 100644
--- a/docs/source/pythonapi/data.rst
+++ b/docs/source/pythonapi/data.rst
@@ -63,6 +63,7 @@ Core Functions
     atomic_weight
     dose_coefficients
     gnd_name
+    half_life
     isotopes
     linearize
     thin
diff --git a/openmc/material.py b/openmc/material.py
index e49696706..70cfa7ade 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -152,9 +152,10 @@ class Material(IDManagerMixin):
         for key, value in atoms_per_barn_cm2.items():
             half_life = openmc.data.half_life(key)
             if half_life:
-                atoms = value[1] * self.volume * 1e24
-                activity = math.log(2) * atoms / half_life
+                atoms = value[1] * self.volume
+                activity = atoms / half_life
                 total_activity += activity
+        total_activity = math.log(2) * total_activity * 1e24
 
         return total_activity
 
diff --git a/setup.py b/setup.py
index b2e3f160a..477f29dec 100755
--- a/setup.py
+++ b/setup.py
@@ -32,7 +32,7 @@ kwargs = {
     # Data files and libraries
     'package_data': {
         'openmc.lib': ['libopenmc.{}'.format(suffix)],
-        'openmc.data': ['mass16.txt', 'BREMX.DAT', '*.h5'],
+        'openmc.data': ['mass16.txt', 'BREMX.DAT', 'half_life.json', '*.h5'],
         'openmc.data.effective_dose': ['*.txt']
     },
 

From e76bd84368d09c29252bedfbb22f631e60646b2b Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Tue, 21 Jun 2022 18:16:34 -0500
Subject: [PATCH 0413/2654] setup and initial structure for FluxSpectraOperator
 class

---
 openmc/deplete/flux_operator.py | 281 ++++++++++++++++++++++++++++++++
 1 file changed, 281 insertions(+)
 create mode 100644 openmc/deplete/flux_operator.py

diff --git a/openmc/deplete/flux_operator.py b/openmc/deplete/flux_operator.py
new file mode 100644
index 000000000..17b43dcfd
--- /dev/null
+++ b/openmc/deplete/flux_operator.py
@@ -0,0 +1,281 @@
+"""Pure depletion operator
+
+This module implements a pure depletion operator that uses user provided fluxes
+and one-group cross sections.
+
+"""
+
+
+import copy
+from collections import OrderedDict
+import os
+from warnings import warn
+
+import numpy as np
+from uncertainties import ufloat
+
+import openmc
+from openmc.checkvalue import check_value
+from openmc.data import DataLibrary
+from openmc.exceptions import DataError
+from openmc.mpi import comm
+from .operator import Operator, _distribute, _find_cross_sections
+from .abc import TransportOperator, OperatorResult
+from .atom_number import AtomNumber
+from .chain import _find_chain_file
+from .reaction_rates import ReactionRates
+from .results import Results
+
+
+
+class FluxSpectraDepletionOperator(TransportOperator, Operator):
+    """Depletion operator that uses a user provided flux spectrum to
+    calculate reaction rates. The flux provided must match the type of cross
+    section library in use (contunuous flux for continuous energy library,
+    multi-group flux for multi-group library)
+
+    Instances of this class can be used to perform depletion using one group
+    cross sections and constant flux. Normally, a user needn't call methods of
+    this class directly. Instead, an instance of this class is passed to an
+    integrator class, such as :class:`openmc.deplete.CECMIntegrator`
+
+    Parameters
+    ----------
+    model : openmc.model.Model
+       OpenMC Model object. Must contain geometry and materials information.
+    flux_spectra : ???
+        Unnormalized flux spectrum.
+    chain_file : str
+        Path to the depletion chain XML file.
+    fission_q : dict, optional
+        Dictionary of nuclides and their fission Q values [eV]. If not given,
+        values will be pulled from the ``chain_file``.
+    dilute_initial : float, optional
+        Initial atom density [atoms/cm^3] to add for nuclides that are zero
+        in initial condition to ensure they exist in the decay chain.
+        Only done for nuclides with reaction rates.
+        Defaults to 1.0e3.
+    prev_results : Results, optional
+        Results from a previous depletion calculation.
+    reduce_chain : bool, optional
+        If True, use :meth:`openmc.deplete.Chain.reduce` to reduce the
+        depletion chain up to ``reduce_chain_level``. Default is False.
+    reduce_chain_level : int, optional
+        Depth of the search when reducing the depletion chain. Only used
+        if ``reduce_chain`` evaluates to true. The default value of
+        ``None`` implies no limit on the depth.
+
+
+    Attributes
+    ----------
+    dilute_initial : float
+        Initial atom density [atoms/cm^3] to add for nuclides that are zero
+        in initial condition to ensure they exist in the decay chain.
+        Only done for nuclides with reaction rates.
+    prev_res : Results or None
+        Results from a previous depletion calculation. ``None`` if no
+        results are to be used.
+    """
+
+    def __init__(self, model, flux_spectra, chain_file, fission_q=None, dilute_initial=1.0e3,
+                 prev_results=None, reduce_chain=False, reduce_chain_level=None):
+
+        # Determine cross sections / depletion chain
+        # TODO : add support for mg cross sections to _find_cross_sections
+        cross_sections = _find_cross_sections(model)
+        if chain_file is None:
+            chain_file = _find_chain_file(cross_sections)
+
+        TransportOperator.__init__(chain_file, fission_q, dilute_initial, prev_results)
+        self.round_number = False
+        self.geometry = model.geometry
+
+        # determine set of materials in the model
+        if not model.materials:
+            model.materials = openmc.Materials(
+                model.geometry.get_all_materials().values()
+            )
+        self.materials = model.materials
+        self.flux_spectra = flux_spectra
+
+        # Reduce the chain before we create more materials
+        if reduce_chain:
+            all_isotopes = set()
+            for material in self.materials:
+                if not material.depletable:
+                    continue
+                for name, _dens_percent, _dens_type in material.nuclides:
+                    all_isotopes.add(name)
+            self.chain = self.chain.reduce(all_isotopes, reduce_chain_level)
+
+        # Clear out OpenMC, create task lists, distribute
+        self.burnable_mats, volume, nuclides = Operator._get_burnable_mats()
+        self.local_mats = _distribute(self.burnable_mats)
+
+        # Generate map from local materials => material index
+        self._mat_index_map = {
+            lm: self.burnable_mats.index(lm) for lm in self.local_mats}
+
+        # TODO: add support for loading previous results
+
+        # Determine which nuclides have incident neutron data
+        # TODO : add support for mg cross sections to Operator._get_nuclides_with_data
+        self.nuclides_with_data = Operator._get_nuclides_with_data(mg_cross_sections)
+
+        # Select nuclides with data that are also in the chain
+        self._burnable_nucs = [nuc.name for nuc in self.chain.nuclides
+                               if nuc.name in self.nuclides_with_data]
+
+        # Extract number densities from the geometry / previous depletion run
+        Operator._extract_number(self.local_mats, volume, nuclides, self.prev_res)
+
+        # Create reaction rates array
+        self.reaction_rates = ReactionRates(
+            self.local_mats, self._burnable_nucs, self.chain.reactions)
+
+        # TODO : set up rate, yield, and normalization helper objects
+
+
+    def __call__(self, vec, source_rate):
+        """Runs a simulation.
+
+        Parameters
+        ----------
+        vec : list of numpy.ndarray
+            Total atoms to be used in function.
+        source_rate : float
+            Power in [W] or source rate in [neutron/sec]
+
+        Returns
+        -------
+        openmc.deplete.OperatorResult
+            Eigenvalue and reaction rates resulting from transport operator
+
+        """
+
+
+
+        # Update the number densities regardless of the source rate
+        self.number.set_density(vec)
+        self._update_materials()
+
+        # Update tally nuclides data in preparation for transport solve
+        nuclides = Operator._get_tally_nuclides()
+        self._rate_helper.nuclides = nuclides
+        self._normalization_helper.nuclides = nuclides
+        self._yield_helper.update_tally_nuclides(nuclides)
+
+
+
+        rates = self.reaction_rates
+        rates.fill(0.0)
+
+        # Get k and uncertainty
+        # TODO : add functionality to get this from the transport solver
+
+        # Form fast map
+        nuc_ind = [rates.index_nuc[nuc] for nuc in nuclides]
+        react_ind = [rates.index_rx[react] for react in self.chain.reactions]
+
+        # Create arrays to store fission Q values, reaction rates, and nuclide
+        # numbers, zeroed out in material iteration
+        number = np.empty(rates.n_nuc)
+
+        # Extract results
+        for i, mat in enumerate(self.local_mats):
+            # Get tally index
+            mat_index = self._mat_index_map[mat]
+
+            # TODO : add machinery to multiply
+            # each cross section by the corresponding flux
+
+            ...
+
+
+        # TODO: add flow control to determine if we need to scale
+        # the reaction rates
+        # Scale reaction rates to obtain units of reactions/sec
+        rates *= self._normalization_helper.factor(source_rate)
+
+        # Store new fission yields on the chain
+        self.chain.fission_yields = fission_yields
+
+        return OperatorResult(keff, rates)
+
+
+    def initial_condition(self):
+        """Performs final setup and returns initial condition.
+
+        Returns
+        -------
+        list of numpy.ndarray
+            Total density for initial conditions.
+        """
+
+        # TODO : implement these functions so they can store the
+        # cross section data
+        materials = [openmc.lib.materials[int(i)]
+                     for i in self.burnable_mats]
+        self._rate_helper.generate_tallies(materials, self.chain.reactions)
+        self._normalization_helper.prepare(
+            self.chain.nuclides, self.reaction_rates.index_nuc)
+        # Tell fission yield helper what materials this process is
+        # responsible for
+        self._yield_helper.generate_tallies(
+            materials, tuple(sorted(self._mat_index_map.values())))
+
+
+        # Return number density vector
+        return list(self.number.get_mat_slice(np.s_[:]))
+
+
+
+    def write_bos_data(self, step):
+        """Document beginning of step data for a given step
+
+        Called at the beginning of a depletion step and at
+        the final point in the simulation.
+
+        Parameters
+        ----------
+        step : int
+            Current depletion step including restarts
+        """
+        ...
+
+
+    def _update_materials(self):
+        """Updates material compositions in OpenMC on all processes."""
+
+        for rank in range(comm.size):
+            number_i = comm.bcast(self.number, root=rank)
+
+            for mat in number_i.materials:
+                nuclides = []
+                densities = []
+                for nuc in number_i.nuclides:
+                    if nuc in self.nuclides_with_data:
+                        val = 1.0e-24 * number_i.get_atom_density(mat, nuc)
+
+                        # If nuclide is zero, do not add to the problem.
+                        if val > 0.0:
+                            if self.round_number:
+                                val_magnitude = np.floor(np.log10(val))
+                                val_scaled = val / 10**val_magnitude
+                                val_round = round(val_scaled, 8)
+
+                                val = val_round * 10**val_magnitude
+
+                            nuclides.append(nuc)
+                            densities.append(val)
+                        else:
+                            # Only output warnings if values are significantly
+                            # negative. CRAM does not guarantee positive values.
+                            if val < -1.0e-21:
+                                print("WARNING: nuclide ", nuc, " in material ", mat,
+                                      " is negative (density = ", val, " at/barn-cm)")
+                            number_i[mat, nuc] = 0.0
+
+
+                #TODO Update densities on the Python side, otherwise the
+                # summary.h5 file contains densities at the first time step

From 53b5cce209a9777368da90a53e29b7658b40295c Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <drshimwell@gmail.com>
Date: Wed, 22 Jun 2022 08:01:07 +0100
Subject: [PATCH 0414/2654] Applying missed suggestions

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/data/data.py | 13 ++++++-------
 openmc/material.py  |  4 ++--
 2 files changed, 8 insertions(+), 9 deletions(-)

diff --git a/openmc/data/data.py b/openmc/data/data.py
index 914c6c622..d50afecc2 100644
--- a/openmc/data/data.py
+++ b/openmc/data/data.py
@@ -278,9 +278,9 @@ def atomic_weight(element):
 
 
 def half_life(isotope):
-    """Return half-life of isotope in seconds. Returns None if isotope is stable
+    """Return half-life of isotope in seconds or None if isotope is stable
 
-    Half-life values are from `ENDF/B VIII.0 Decay Reaction Sublibrary
+    Half-life values are from the `ENDF/B-VIII.0 decay sublibrary
     <https://www.nndc.bnl.gov/endf-b8.0/download.html>`_.
 
     Parameters
@@ -291,15 +291,14 @@ def half_life(isotope):
     Returns
     -------
     float
-        Half-life of isotope in [seconds]
+        Half-life of isotope in [s]
 
     """
     global _HALF_LIFE
     if not _HALF_LIFE:
-        # Load data from AME2016 file
-        half_life_filename = os.path.join(os.path.dirname(__file__), 'half_life.json')
-        with open(half_life_filename, 'r') as f:
-            _HALF_LIFE = json.load(f)
+        # Load ENDF/B-VIII.0 data from JSON file
+        half_life_path = Path(__file__).with_name('half_life.json')
+        _HALF_LIFE = json.load(half_life_path.read_text())
 
     if isotope.title() not in _HALF_LIFE.keys():
         return None
diff --git a/openmc/material.py b/openmc/material.py
index 70cfa7ade..95fd7aaf7 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -147,9 +147,9 @@ class Material(IDManagerMixin):
     def activity(self):
         """Returns the total activity of the material in Becquerels."""
 
-        atoms_per_barn_cm2 = self.get_nuclide_atom_densities()
+        atoms_per_barn_cm = self.get_nuclide_atom_densities()
         total_activity = 0
-        for key, value in atoms_per_barn_cm2.items():
+        for key, value in atoms_per_barn_cm.items():
             half_life = openmc.data.half_life(key)
             if half_life:
                 atoms = value[1] * self.volume

From 9b36424e1632aa69716f8f07a51fc8c68d6ad3bf Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Wed, 22 Jun 2022 08:19:00 +0100
Subject: [PATCH 0415/2654] added remove element to material

---
 openmc/material.py                | 17 +++++++++++++++++
 tests/unit_tests/test_material.py |  2 +-
 2 files changed, 18 insertions(+), 1 deletion(-)

diff --git a/openmc/material.py b/openmc/material.py
index de1b2187b..188ec2d47 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -407,6 +407,23 @@ class Material(IDManagerMixin):
             if nuclide == nuc.name:
                 self.nuclides.remove(nuc)
 
+    def remove_element(self, element):
+        """Remove an element from the material
+
+        Parameters
+        ----------
+        element : str
+            Element to remove
+
+        """
+        cv.check_type('element', element, str)
+
+        # If the Material contains the element, delete it
+        for nuc in reversed(self.nuclides):
+            element_name = re.split(r'(\d+)', nuc)
+            if nuc == element_name:
+                self.nuclides.remove(nuc)
+
     def add_macroscopic(self, macroscopic):
         """Add a macroscopic to the material.  This will also set the
         density of the material to 1.0, unless it has been otherwise set,
diff --git a/tests/unit_tests/test_material.py b/tests/unit_tests/test_material.py
index 3a976da99..dda75c88b 100644
--- a/tests/unit_tests/test_material.py
+++ b/tests/unit_tests/test_material.py
@@ -43,7 +43,7 @@ def test_remove_elements():
     m = openmc.Material()
     for elem, percent in [('Li', 1.0), ('Be', 1.0)]:
         m.add_element(elem, percent)
-    m.remove_nuclide('Li')
+    m.remove_element('Li')
     assert len(m.nuclides) == 1
     assert m.nuclides == ['Be9']
     assert m.nuclides[0].percent == 1.0

From 839c0fe81b1b65d205429f79dab317b3251b606a Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Wed, 22 Jun 2022 08:32:37 +0100
Subject: [PATCH 0416/2654] refined remove element

---
 openmc/material.py                | 5 +++--
 tests/unit_tests/test_material.py | 2 +-
 2 files changed, 4 insertions(+), 3 deletions(-)

diff --git a/openmc/material.py b/openmc/material.py
index 188ec2d47..d8fd1859f 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -420,8 +420,9 @@ class Material(IDManagerMixin):
 
         # If the Material contains the element, delete it
         for nuc in reversed(self.nuclides):
-            element_name = re.split(r'(\d+)', nuc)
-            if nuc == element_name:
+            element_name = re.split(r'(\d+)', nuc.name)[0]
+            print(element_name, element)
+            if element_name == element:
                 self.nuclides.remove(nuc)
 
     def add_macroscopic(self, macroscopic):
diff --git a/tests/unit_tests/test_material.py b/tests/unit_tests/test_material.py
index dda75c88b..bfa40bb21 100644
--- a/tests/unit_tests/test_material.py
+++ b/tests/unit_tests/test_material.py
@@ -45,7 +45,7 @@ def test_remove_elements():
         m.add_element(elem, percent)
     m.remove_element('Li')
     assert len(m.nuclides) == 1
-    assert m.nuclides == ['Be9']
+    assert m.nuclides[0].name == 'Be9'
     assert m.nuclides[0].percent == 1.0
 
 

From 649f4a28f260574725d9ae847a22d59ad42b69e3 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <drshimwell@gmail.com>
Date: Wed, 22 Jun 2022 14:21:02 +0200
Subject: [PATCH 0417/2654] Apply suggestions from code review

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/data/data.py | 7 ++-----
 openmc/material.py  | 6 ++----
 2 files changed, 4 insertions(+), 9 deletions(-)

diff --git a/openmc/data/data.py b/openmc/data/data.py
index d50afecc2..108b3c63a 100644
--- a/openmc/data/data.py
+++ b/openmc/data/data.py
@@ -298,12 +298,9 @@ def half_life(isotope):
     if not _HALF_LIFE:
         # Load ENDF/B-VIII.0 data from JSON file
         half_life_path = Path(__file__).with_name('half_life.json')
-        _HALF_LIFE = json.load(half_life_path.read_text())
+        _HALF_LIFE = json.loads(half_life_path.read_text())
 
-    if isotope.title() not in _HALF_LIFE.keys():
-        return None
-
-    return _HALF_LIFE[isotope.title()]
+    return _HALF_LIFE.get(isotope.title())
 
 def water_density(temperature, pressure=0.1013):
     """Return the density of liquid water at a given temperature and pressure.
diff --git a/openmc/material.py b/openmc/material.py
index 95fd7aaf7..47f39b990 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -152,10 +152,8 @@ class Material(IDManagerMixin):
         for key, value in atoms_per_barn_cm.items():
             half_life = openmc.data.half_life(key)
             if half_life:
-                atoms = value[1] * self.volume
-                activity = atoms / half_life
-                total_activity += activity
-        total_activity = math.log(2) * total_activity * 1e24
+                total_activity += value[1] / half_life
+        total_activity *= math.log(2) * 1e24 * self.volume
 
         return total_activity
 

From a003c5850a9dba44355c1af50ce5661ec74d742f Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Wed, 22 Jun 2022 14:59:21 +0100
Subject: [PATCH 0418/2654] added type hints to match doc strings

---
 openmc/material.py | 69 ++++++++++++++++++++++++++--------------------
 1 file changed, 39 insertions(+), 30 deletions(-)

diff --git a/openmc/material.py b/openmc/material.py
index de1b2187b..31e674611 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -3,8 +3,11 @@ from collections.abc import Iterable
 from copy import deepcopy
 from numbers import Real
 from pathlib import Path
+import os
 import re
+import typing  # imported separately as py3.8 requires typing.Iterable
 import warnings
+from typing import Optional, Union
 from xml.etree import ElementTree as ET
 
 import numpy as np
@@ -206,7 +209,7 @@ class Material(IDManagerMixin):
         return self._volume
 
     @name.setter
-    def name(self, name):
+    def name(self, name: Optional[str]):
         if name is not None:
             cv.check_type(f'name for Material ID="{self._id}"',
                           name, str)
@@ -215,25 +218,25 @@ class Material(IDManagerMixin):
             self._name = ''
 
     @temperature.setter
-    def temperature(self, temperature):
+    def temperature(self, temperature: Optional[Real]):
         cv.check_type(f'Temperature for Material ID="{self._id}"',
                       temperature, (Real, type(None)))
         self._temperature = temperature
 
     @depletable.setter
-    def depletable(self, depletable):
+    def depletable(self, depletable: bool):
         cv.check_type(f'Depletable flag for Material ID="{self._id}"',
                       depletable, bool)
         self._depletable = depletable
 
     @volume.setter
-    def volume(self, volume):
+    def volume(self, volume: Real):
         if volume is not None:
             cv.check_type('material volume', volume, Real)
         self._volume = volume
 
     @isotropic.setter
-    def isotropic(self, isotropic):
+    def isotropic(self, isotropic: typing.Iterable[str]):
         cv.check_iterable_type('Isotropic scattering nuclides', isotropic,
                                str)
         self._isotropic = list(isotropic)
@@ -251,7 +254,7 @@ class Material(IDManagerMixin):
         return density*self.volume
 
     @classmethod
-    def from_hdf5(cls, group):
+    def from_hdf5(cls, group: str):
         """Create material from HDF5 group
 
         Parameters
@@ -305,7 +308,7 @@ class Material(IDManagerMixin):
 
         return material
 
-    def add_volume_information(self, volume_calc):
+    def add_volume_information(self, volume_calc: openmc.VolumeCalculation):
         """Add volume information to a material.
 
         Parameters
@@ -325,7 +328,7 @@ class Material(IDManagerMixin):
             raise ValueError('No volume information found for material ID={}.'
                 .format(self.id))
 
-    def set_density(self, units, density=None):
+    def set_density(self, units: str, density:Optional[float]=None):
         """Set the density of the material
 
         Parameters
@@ -357,7 +360,7 @@ class Material(IDManagerMixin):
                           density, Real)
             self._density = density
 
-    def add_nuclide(self, nuclide, percent, percent_type='ao'):
+    def add_nuclide(self, nuclide: str, percent: float, percent_type: str='ao'):
         """Add a nuclide to the material
 
         Parameters
@@ -391,7 +394,7 @@ class Material(IDManagerMixin):
 
         self._nuclides.append(NuclideTuple(nuclide, percent, percent_type))
 
-    def remove_nuclide(self, nuclide):
+    def remove_nuclide(self, nuclide: str):
         """Remove a nuclide from the material
 
         Parameters
@@ -407,7 +410,7 @@ class Material(IDManagerMixin):
             if nuclide == nuc.name:
                 self.nuclides.remove(nuc)
 
-    def add_macroscopic(self, macroscopic):
+    def add_macroscopic(self, macroscopic: str):
         """Add a macroscopic to the material.  This will also set the
         density of the material to 1.0, unless it has been otherwise set,
         as a default for Macroscopic cross sections.
@@ -449,7 +452,7 @@ class Material(IDManagerMixin):
         if self._density is None:
             self.set_density('macro', 1.0)
 
-    def remove_macroscopic(self, macroscopic):
+    def remove_macroscopic(self, macroscopic: str):
         """Remove a macroscopic from the material
 
         Parameters
@@ -468,8 +471,10 @@ class Material(IDManagerMixin):
         if macroscopic == self._macroscopic:
             self._macroscopic = None
 
-    def add_element(self, element, percent, percent_type='ao', enrichment=None,
-                    enrichment_target=None, enrichment_type=None):
+    def add_element(self, element: str, percent: float, percent_type: str='ao',
+                   enrichment: Optional[float]=None,
+                   enrichment_target: Optional[str]=None,
+                   enrichment_type: Optional[str]=None):
         """Add a natural element to the material
 
         Parameters
@@ -574,8 +579,10 @@ class Material(IDManagerMixin):
                                       enrichment_type):
             self.add_nuclide(*nuclide)
 
-    def add_elements_from_formula(self, formula, percent_type='ao', enrichment=None,
-                                  enrichment_target=None, enrichment_type=None):
+    def add_elements_from_formula(self, formula: str, percent_type: str='ao',
+                                  enrichment: Optional[float]=None,
+                                  enrichment_target: Optional[float]=None,
+                                  enrichment_type: Optional[str]=None):
         """Add a elements from a chemical formula to the material.
 
         .. versionadded:: 0.12
@@ -672,7 +679,7 @@ class Material(IDManagerMixin):
             else:
                 self.add_element(element, percent, percent_type)
 
-    def add_s_alpha_beta(self, name, fraction=1.0):
+    def add_s_alpha_beta(self, name: str, fraction: float=1.0):
         r"""Add an :math:`S(\alpha,\beta)` table to the material
 
         Parameters
@@ -821,7 +828,7 @@ class Material(IDManagerMixin):
 
         return nuclides
 
-    def get_mass_density(self, nuclide=None):
+    def get_mass_density(self, nuclide: Optional[str]=None):
         """Return mass density of one or all nuclides
 
         Parameters
@@ -844,7 +851,7 @@ class Material(IDManagerMixin):
                 mass_density += density_i
         return mass_density
 
-    def get_mass(self, nuclide=None):
+    def get_mass(self, nuclide: Optional[str]=None):
         """Return mass of one or all nuclides.
 
         Note that this method requires that the :attr:`Material.volume` has
@@ -866,7 +873,7 @@ class Material(IDManagerMixin):
             raise ValueError("Volume must be set in order to determine mass.")
         return self.volume*self.get_mass_density(nuclide)
 
-    def clone(self, memo=None):
+    def clone(self, memo: Optional[dict]=None):
         """Create a copy of this material with a new unique ID.
 
         Parameters
@@ -905,7 +912,7 @@ class Material(IDManagerMixin):
 
         return memo[self]
 
-    def _get_nuclide_xml(self, nuclide):
+    def _get_nuclide_xml(self, nuclide: str):
         xml_element = ET.Element("nuclide")
         xml_element.set("name", nuclide.name)
 
@@ -916,13 +923,13 @@ class Material(IDManagerMixin):
 
         return xml_element
 
-    def _get_macroscopic_xml(self, macroscopic):
+    def _get_macroscopic_xml(self, macroscopic: str):
         xml_element = ET.Element("macroscopic")
         xml_element.set("name", macroscopic)
 
         return xml_element
 
-    def _get_nuclides_xml(self, nuclides):
+    def _get_nuclides_xml(self, nuclides: typing.Iterable[str]):
         xml_elements = []
         for nuclide in nuclides:
             xml_elements.append(self._get_nuclide_xml(nuclide))
@@ -989,7 +996,9 @@ class Material(IDManagerMixin):
         return element
 
     @classmethod
-    def mix_materials(cls, materials, fracs, percent_type='ao', name=None):
+    def mix_materials(cls, materials: typing.Iterable[openmc.Material],
+                      fracs: typing.Iterable[float], percent_type: str='ao',
+                      name: Optional[str]=None):
         """Mix materials together based on atom, weight, or volume fractions
 
         .. versionadded:: 0.12
@@ -1087,7 +1096,7 @@ class Material(IDManagerMixin):
         return new_mat
 
     @classmethod
-    def from_xml_element(cls, elem):
+    def from_xml_element(cls, elem: ET.Element):
         """Generate material from an XML element
 
         Parameters
@@ -1190,7 +1199,7 @@ class Materials(cv.CheckedList):
         if cross_sections is not None:
             self._cross_sections = Path(cross_sections)
 
-    def append(self, material):
+    def append(self, material: openmc.Material):
         """Append material to collection
 
         Parameters
@@ -1201,7 +1210,7 @@ class Materials(cv.CheckedList):
         """
         super().append(material)
 
-    def insert(self, index, material):
+    def insert(self, index: int, material: openmc.Material):
         """Insert material before index
 
         Parameters
@@ -1218,7 +1227,7 @@ class Materials(cv.CheckedList):
         for material in self:
             material.make_isotropic_in_lab()
 
-    def export_to_xml(self, path='materials.xml'):
+    def export_to_xml(self, path: Union[str, os.PathLike]='materials.xml'):
         """Export material collection to an XML file.
 
         Parameters
@@ -1265,12 +1274,12 @@ class Materials(cv.CheckedList):
             fh.write('</materials>\n')
 
     @classmethod
-    def from_xml(cls, path='materials.xml'):
+    def from_xml(cls, path: Union[str, os.PathLike]='materials.xml'):
         """Generate materials collection from XML file
 
         Parameters
         ----------
-        path : str, optional
+        path : str
             Path to materials XML file
 
         Returns

From c2018c41fdc87d069e00cbe4e87cc07b87d8fc52 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <drshimwell@gmail.com>
Date: Wed, 22 Jun 2022 22:45:37 +0200
Subject: [PATCH 0419/2654] More efficient regex usage

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/material.py | 3 +--
 1 file changed, 1 insertion(+), 2 deletions(-)

diff --git a/openmc/material.py b/openmc/material.py
index d8fd1859f..7e142f09a 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -420,8 +420,7 @@ class Material(IDManagerMixin):
 
         # If the Material contains the element, delete it
         for nuc in reversed(self.nuclides):
-            element_name = re.split(r'(\d+)', nuc.name)[0]
-            print(element_name, element)
+            element_name = re.split(r'\d+', nuc.name)[0]
             if element_name == element:
                 self.nuclides.remove(nuc)
 

From debc085cf692cb4f2a8a9585d0acfe4a7b06bfb9 Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erkn@fysik.dtu.dk>
Date: Wed, 22 Jun 2022 22:50:07 +0200
Subject: [PATCH 0420/2654] add placeholder skeleton for MCPL-input

---
 include/openmc/source.h | 19 +++++++++++++++++++
 src/source.cpp          | 21 +++++++++++++++++++++
 2 files changed, 40 insertions(+)

diff --git a/include/openmc/source.h b/include/openmc/source.h
index 18fddc689..cadbfe93b 100644
--- a/include/openmc/source.h
+++ b/include/openmc/source.h
@@ -100,6 +100,25 @@ private:
   vector<SourceSite> sites_; //!< Source sites from a file
 };
 
+//==============================================================================
+// MCPL-file input source
+//==============================================================================
+class MCPLFileSource : public Source {
+public:
+  // Constructors, destructors
+  MCPLFileSource(std::string path);
+  ~MCPLFileSource();
+
+  // Defer implementation to custom source library
+  SourceSite sample(uint64_t* seed) const override
+
+private:
+  vector <SourceSite> sites_; //!<source sites from an MCPL-file
+};
+
+
+
+
 //==============================================================================
 //! Wrapper for custom sources that manages opening/closing shared library
 //==============================================================================
diff --git a/src/source.cpp b/src/source.cpp
index 11ede5fc4..cd8b5e574 100644
--- a/src/source.cpp
+++ b/src/source.cpp
@@ -332,6 +332,27 @@ CustomSourceWrapper::~CustomSourceWrapper()
 #endif
 }
 
+//===========================================================================
+// Read an MCPL-file
+//===========================================================================
+MCPLFileSource::MCPLFileSource(std::string path)
+{
+  // Check if source file exists
+  if (!file_exists(path)) {
+    fatal_error(fmt::format("Source file '{}' does not exist.", path));
+  }
+   
+  // Read the source from a binary file instead of sampling from some
+  // assumed source distribution
+  write_message(6, "Reading source file from {}...", path);
+
+  // Open the mcpl file
+  id_t file_id = mcpl_open(path.c_str)
+  
+
+}
+
+
 //==============================================================================
 // Non-member functions
 //==============================================================================

From bebf729ad0872b48504243326e06c3a0dd587790 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Wed, 22 Jun 2022 22:41:01 +0100
Subject: [PATCH 0421/2654] removed circular import types

---
 openmc/material.py | 17 ++++++++---------
 1 file changed, 8 insertions(+), 9 deletions(-)

diff --git a/openmc/material.py b/openmc/material.py
index 31e674611..78655007f 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -308,7 +308,7 @@ class Material(IDManagerMixin):
 
         return material
 
-    def add_volume_information(self, volume_calc: openmc.VolumeCalculation):
+    def add_volume_information(self, volume_calc):
         """Add volume information to a material.
 
         Parameters
@@ -472,9 +472,9 @@ class Material(IDManagerMixin):
             self._macroscopic = None
 
     def add_element(self, element: str, percent: float, percent_type: str='ao',
-                   enrichment: Optional[float]=None,
-                   enrichment_target: Optional[str]=None,
-                   enrichment_type: Optional[str]=None):
+                    enrichment: Optional[float]=None,
+                    enrichment_target: Optional[str]=None,
+                    enrichment_type: Optional[str]=None):
         """Add a natural element to the material
 
         Parameters
@@ -996,9 +996,8 @@ class Material(IDManagerMixin):
         return element
 
     @classmethod
-    def mix_materials(cls, materials: typing.Iterable[openmc.Material],
-                      fracs: typing.Iterable[float], percent_type: str='ao',
-                      name: Optional[str]=None):
+    def mix_materials(cls, materials, fracs: typing.Iterable[float],
+                      percent_type: str='ao', name: Optional[str]=None):
         """Mix materials together based on atom, weight, or volume fractions
 
         .. versionadded:: 0.12
@@ -1199,7 +1198,7 @@ class Materials(cv.CheckedList):
         if cross_sections is not None:
             self._cross_sections = Path(cross_sections)
 
-    def append(self, material: openmc.Material):
+    def append(self, material):
         """Append material to collection
 
         Parameters
@@ -1210,7 +1209,7 @@ class Materials(cv.CheckedList):
         """
         super().append(material)
 
-    def insert(self, index: int, material: openmc.Material):
+    def insert(self, index: int, material):
         """Insert material before index
 
         Parameters

From 270ef8346ceadf03c1724db355f4ec06768e1f07 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Wed, 22 Jun 2022 23:18:14 +0100
Subject: [PATCH 0422/2654] added metastable activity test

---
 tests/unit_tests/test_material.py | 8 ++++++++
 1 file changed, 8 insertions(+)

diff --git a/tests/unit_tests/test_material.py b/tests/unit_tests/test_material.py
index c5d3276a0..c56c350b0 100644
--- a/tests/unit_tests/test_material.py
+++ b/tests/unit_tests/test_material.py
@@ -423,3 +423,11 @@ def test_activity_of_tritium():
     m1.volume = 1
     assert pytest.approx(m1.activity) == 3.559778e14 
 
+
+def test_activity_of_metastable():
+    """Checks that 1 mol of a Tc99_m1 nuclides has the correct activity"""
+    m1 = openmc.Material()
+    m1.add_nuclide("Tc99_m1", 1)
+    m1.set_density('g/cm3', 1)
+    m1.volume = 98.9
+    assert pytest.approx(m1.activity, rel=0.001) == 1.93e19

From 344c2a46404cdc74a114efd2f78fb8bc86dc46e2 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Wed, 22 Jun 2022 23:27:41 +0100
Subject: [PATCH 0423/2654] lower case nucs in half-life

---
 openmc/data/data.py        |    2 +-
 openmc/data/half_life.json | 7122 ++++++++++++++++++------------------
 2 files changed, 3562 insertions(+), 3562 deletions(-)

diff --git a/openmc/data/data.py b/openmc/data/data.py
index 108b3c63a..3a3cf5826 100644
--- a/openmc/data/data.py
+++ b/openmc/data/data.py
@@ -300,7 +300,7 @@ def half_life(isotope):
         half_life_path = Path(__file__).with_name('half_life.json')
         _HALF_LIFE = json.loads(half_life_path.read_text())
 
-    return _HALF_LIFE.get(isotope.title())
+    return _HALF_LIFE.get(isotope.lower())
 
 def water_density(temperature, pressure=0.1013):
     """Return the density of liquid water at a given temperature and pressure.
diff --git a/openmc/data/half_life.json b/openmc/data/half_life.json
index bb67da75d..4f670918b 100644
--- a/openmc/data/half_life.json
+++ b/openmc/data/half_life.json
@@ -1,3563 +1,3563 @@
 {
-    "H3": 388789600.0,
-    "H4": 9.90652e-23,
-    "H5": 7.99473e-23,
-    "H6": 2.84812e-22,
-    "H7": 2.3e-23,
-    "He5": 7.595e-22,
-    "He6": 0.8067,
-    "He7": 3.038e-21,
-    "He8": 0.1191,
-    "He9": 7e-21,
-    "He10": 1.519e-21,
-    "Li4": 7.55721e-23,
-    "Li5": 3.06868e-22,
-    "Li8": 0.838,
-    "Li9": 0.1783,
-    "Li10": 2e-21,
-    "Li11": 0.00859,
-    "Li12": 1e-08,
-    "Be5": 1e-09,
-    "Be6": 4.95326e-21,
-    "Be7": 4598208.0,
-    "Be8": 8.18132e-17,
-    "Be10": 47652000000000.0,
-    "Be11": 13.81,
-    "Be12": 0.0213,
-    "Be13": 2.7e-21,
-    "Be14": 0.00435,
-    "Be15": 2e-07,
-    "Be16": 2e-07,
-    "B6": 1e-09,
-    "B7": 3.255e-22,
-    "B8": 0.77,
-    "B9": 8.43888e-19,
-    "B12": 0.0202,
-    "B13": 0.01736,
-    "B14": 0.0125,
-    "B15": 0.00993,
-    "B16": 1.9e-10,
-    "B17": 0.00508,
-    "B18": 2.6e-08,
-    "B19": 0.00292,
-    "C8": 1.9813e-21,
-    "C9": 0.1265,
-    "C10": 19.29,
-    "C11": 1223.1,
-    "C14": 179878000000.0,
-    "C15": 2.449,
-    "C16": 0.747,
-    "C17": 0.193,
-    "C18": 0.092,
-    "C19": 0.049,
-    "C20": 0.0145,
-    "C21": 3e-08,
-    "C22": 0.0062,
-    "N10": 2e-22,
-    "N11": 3.12742e-22,
-    "N12": 0.011,
-    "N13": 597.9,
-    "N16": 7.13,
-    "N17": 4.171,
-    "N18": 0.624,
-    "N19": 0.271,
-    "N20": 0.13,
-    "N21": 0.085,
-    "N22": 0.024,
-    "N23": 0.0145,
-    "N24": 5.2e-08,
-    "N25": 2.6e-07,
-    "O12": 1.13925e-21,
-    "O13": 0.00858,
-    "O14": 70.606,
-    "O15": 122.24,
-    "O19": 26.88,
-    "O20": 13.51,
-    "O21": 3.42,
-    "O22": 2.25,
-    "O23": 0.0905,
-    "O24": 0.065,
-    "O25": 5e-08,
-    "O26": 4e-08,
-    "O27": 2.6e-07,
-    "O28": 1e-07,
-    "F14": 5.0007e-22,
-    "F15": 4.557e-22,
-    "F16": 1.13925e-20,
-    "F17": 64.49,
-    "F18": 6586.2,
-    "F20": 11.163,
-    "F21": 4.158,
-    "F22": 4.23,
-    "F23": 2.23,
-    "F24": 0.39,
-    "F25": 0.05,
-    "F26": 0.0096,
-    "F27": 0.005,
-    "F28": 4e-08,
-    "F29": 0.0025,
-    "F30": 2.6e-07,
-    "F31": 2.5e-07,
-    "Ne16": 3.73524e-21,
-    "Ne17": 0.1092,
-    "Ne18": 1.672,
-    "Ne19": 17.22,
-    "Ne23": 37.24,
-    "Ne24": 202.8,
-    "Ne25": 0.602,
-    "Ne26": 0.197,
-    "Ne27": 0.032,
-    "Ne28": 0.0189,
-    "Ne29": 0.0148,
-    "Ne30": 0.0073,
-    "Ne31": 0.0034,
-    "Ne32": 0.0035,
-    "Ne33": 1.8e-07,
-    "Ne34": 6e-08,
-    "Na18": 1.3e-21,
-    "Na19": 4e-08,
-    "Na20": 0.4479,
-    "Na21": 22.49,
-    "Na22": 82134970.0,
-    "Na24": 53989.2,
-    "Na24_m1": 0.02018,
-    "Na25": 59.1,
-    "Na26": 1.077,
-    "Na27": 0.301,
-    "Na28": 0.0305,
-    "Na29": 0.0449,
-    "Na30": 0.048,
-    "Na31": 0.017,
-    "Na32": 0.0132,
-    "Na33": 0.008,
-    "Na34": 0.0055,
-    "Na35": 0.0015,
-    "Na36": 1.8e-07,
-    "Na37": 6e-08,
-    "Mg19": 4e-12,
-    "Mg20": 0.0908,
-    "Mg21": 0.122,
-    "Mg22": 3.8755,
-    "Mg23": 11.317,
-    "Mg27": 567.48,
-    "Mg28": 75294.0,
-    "Mg29": 1.3,
-    "Mg30": 0.335,
-    "Mg31": 0.232,
-    "Mg32": 0.086,
-    "Mg33": 0.0905,
-    "Mg34": 0.02,
-    "Mg35": 0.07,
-    "Mg36": 0.0039,
-    "Mg37": 2.6e-07,
-    "Mg38": 2.6e-07,
-    "Mg39": 1.8e-07,
-    "Mg40": 1.7e-07,
-    "Al21": 3.5e-08,
-    "Al22": 0.059,
-    "Al23": 0.47,
-    "Al24": 2.053,
-    "Al24_m1": 0.13,
-    "Al25": 7.183,
-    "Al26": 22626800000000.0,
-    "Al26_m1": 6.3452,
-    "Al28": 134.484,
-    "Al29": 393.6,
-    "Al30": 3.62,
-    "Al31": 0.644,
-    "Al32": 0.033,
-    "Al33": 0.0417,
-    "Al34": 0.042,
-    "Al35": 0.0386,
-    "Al36": 0.09,
-    "Al37": 0.0107,
-    "Al38": 0.0076,
-    "Al39": 7.6e-06,
-    "Al40": 2.6e-07,
-    "Al41": 2.6e-07,
-    "Al42": 1.7e-07,
-    "Si22": 0.029,
-    "Si23": 0.0423,
-    "Si24": 0.14,
-    "Si25": 0.22,
-    "Si26": 2.234,
-    "Si27": 4.16,
-    "Si31": 9438.0,
-    "Si32": 4828310000.0,
-    "Si33": 6.11,
-    "Si34": 2.77,
-    "Si35": 0.78,
-    "Si36": 0.45,
-    "Si37": 0.09,
-    "Si38": 1e-06,
-    "Si39": 0.0475,
-    "Si40": 0.033,
-    "Si41": 0.02,
-    "Si42": 0.0125,
-    "Si43": 6e-08,
-    "Si44": 3.6e-07,
-    "P24": 0.0074,
-    "P25": 3e-08,
-    "P26": 0.0437,
-    "P27": 0.26,
-    "P28": 0.2703,
-    "P29": 4.142,
-    "P30": 149.88,
-    "P32": 1232323.0,
-    "P33": 2189376.0,
-    "P34": 12.43,
-    "P35": 47.3,
-    "P36": 5.6,
-    "P37": 2.31,
-    "P38": 0.64,
-    "P39": 0.28,
-    "P40": 0.125,
-    "P41": 0.1,
-    "P42": 0.0485,
-    "P43": 0.0365,
-    "P44": 0.0185,
-    "P45": 2e-07,
-    "P46": 2e-07,
-    "S26": 0.01,
-    "S27": 0.0155,
-    "S28": 0.125,
-    "S29": 0.187,
-    "S30": 1.178,
-    "S31": 2.572,
-    "S35": 7560864.0,
-    "S37": 303.0,
-    "S38": 10218.0,
-    "S39": 11.5,
-    "S40": 8.8,
-    "S41": 1.99,
-    "S42": 1.013,
-    "S43": 0.28,
-    "S44": 0.1,
-    "S45": 0.068,
-    "S46": 0.05,
-    "S48": 2e-07,
-    "S49": 2e-07,
-    "Cl28": 0.0017,
-    "Cl29": 2e-08,
-    "Cl30": 3e-08,
-    "Cl31": 0.15,
-    "Cl32": 0.298,
-    "Cl33": 2.511,
-    "Cl34": 1.5264,
-    "Cl34_m1": 1920.0,
-    "Cl36": 9498840000000.0,
-    "Cl38": 2233.8,
-    "Cl38_m1": 0.715,
-    "Cl39": 3336.0,
-    "Cl40": 81.0,
-    "Cl41": 38.4,
-    "Cl42": 6.8,
-    "Cl43": 3.13,
-    "Cl44": 0.56,
-    "Cl45": 0.413,
-    "Cl46": 0.232,
-    "Cl47": 0.101,
-    "Cl48": 2e-07,
-    "Cl49": 1.7e-07,
-    "Cl50": 0.02,
-    "Cl51": 2e-07,
-    "Ar30": 2e-08,
-    "Ar31": 0.0151,
-    "Ar32": 0.098,
-    "Ar33": 0.173,
-    "Ar34": 0.8445,
-    "Ar35": 1.775,
-    "Ar37": 3027456.0,
-    "Ar39": 8488990000.0,
-    "Ar41": 6576.6,
-    "Ar42": 1038250000.0,
-    "Ar43": 322.2,
-    "Ar44": 712.2,
-    "Ar45": 21.48,
-    "Ar46": 8.4,
-    "Ar47": 1.23,
-    "Ar48": 0.475,
-    "Ar49": 0.17,
-    "Ar50": 0.085,
-    "Ar51": 2e-07,
-    "Ar52": 0.01,
-    "Ar53": 0.003,
-    "K32": 0.0033,
-    "K33": 2.5e-08,
-    "K34": 2.5e-08,
-    "K35": 0.178,
-    "K36": 0.342,
-    "K37": 1.226,
-    "K38": 458.16,
-    "K38_m1": 0.924,
-    "K40": 3.93839e16,
-    "K42": 44496.0,
-    "K43": 80280.0,
-    "K44": 1327.8,
-    "K45": 1068.6,
-    "K46": 105.0,
-    "K47": 17.5,
-    "K48": 6.8,
-    "K49": 1.26,
-    "K50": 0.472,
-    "K51": 0.365,
-    "K52": 0.105,
-    "K53": 0.03,
-    "K54": 0.01,
-    "K55": 0.003,
-    "Ca34": 3.5e-08,
-    "Ca35": 0.0257,
-    "Ca36": 0.102,
-    "Ca37": 0.1811,
-    "Ca38": 0.44,
-    "Ca39": 0.8596,
-    "Ca41": 3218880000000.0,
-    "Ca45": 14049500.0,
-    "Ca47": 391910.4,
-    "Ca48": 7.25824e26,
-    "Ca49": 523.08,
-    "Ca50": 13.9,
-    "Ca51": 10.0,
-    "Ca52": 4.6,
-    "Ca53": 0.09,
-    "Ca54": 0.086,
-    "Ca55": 0.022,
-    "Ca56": 0.01,
-    "Ca57": 0.005,
-    "Sc36": 0.0088,
-    "Sc37": 0.056,
-    "Sc38": 0.0423,
-    "Sc39": 3e-07,
-    "Sc40": 0.1823,
-    "Sc41": 0.5963,
-    "Sc42": 0.6808,
-    "Sc42_m1": 62.0,
-    "Sc43": 14007.6,
-    "Sc44": 14292.0,
-    "Sc44_m1": 210996.0,
-    "Sc45_m1": 0.318,
-    "Sc46": 7239456.0,
-    "Sc46_m1": 18.75,
-    "Sc47": 289370.9,
-    "Sc48": 157212.0,
-    "Sc49": 3430.8,
-    "Sc50": 102.5,
-    "Sc50_m1": 0.35,
-    "Sc51": 12.4,
-    "Sc52": 8.2,
-    "Sc53": 3.0,
-    "Sc54": 0.36,
-    "Sc55": 0.105,
-    "Sc56": 0.06,
-    "Sc57": 0.013,
-    "Sc58": 0.012,
-    "Sc59": 0.01,
-    "Sc60": 0.003,
-    "Ti38": 1.2e-07,
-    "Ti39": 0.032,
-    "Ti40": 0.0533,
-    "Ti41": 0.0804,
-    "Ti42": 0.199,
-    "Ti43": 0.509,
-    "Ti44": 1893460000.0,
-    "Ti45": 11088.0,
-    "Ti51": 345.6,
-    "Ti52": 102.0,
-    "Ti53": 32.7,
-    "Ti54": 1.5,
-    "Ti55": 1.3,
-    "Ti56": 0.2,
-    "Ti57": 0.06,
-    "Ti58": 0.059,
-    "Ti59": 0.03,
-    "Ti60": 0.022,
-    "Ti61": 3e-07,
-    "Ti62": 0.01,
-    "Ti63": 0.003,
-    "V40": 0.0077,
-    "V41": 0.0244,
-    "V42": 5.5e-08,
-    "V43": 0.8,
-    "V44": 0.111,
-    "V44_m1": 0.15,
-    "V45": 0.547,
-    "V46": 0.4225,
-    "V46_m1": 0.00102,
-    "V47": 1956.0,
-    "V48": 1380110.0,
-    "V49": 28512000.0,
-    "V50": 4.41806e24,
-    "V52": 224.58,
-    "V53": 92.58,
-    "V54": 49.8,
-    "V55": 6.54,
-    "V56": 0.216,
-    "V57": 0.35,
-    "V58": 0.185,
-    "V59": 0.075,
-    "V60": 0.068,
-    "V61": 0.047,
-    "V62": 1.5e-07,
-    "V63": 0.017,
-    "V64": 0.019,
-    "V65": 0.01,
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From 9c132bfbf02a80ecafd7dbd9d5f2b5701690d7e2 Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erkn@fysik.dtu.dk>
Date: Thu, 23 Jun 2022 11:34:53 +0200
Subject: [PATCH 0424/2654] include mcpl header

---
 src/source.cpp | 4 ++++
 1 file changed, 4 insertions(+)

diff --git a/src/source.cpp b/src/source.cpp
index cd8b5e574..5e26fa0a8 100644
--- a/src/source.cpp
+++ b/src/source.cpp
@@ -31,6 +31,10 @@
 #include "openmc/state_point.h"
 #include "openmc/xml_interface.h"
 
+#ifdef HAS_MCPL
+#include <mcpl.h>
+#endif
+
 namespace openmc {
 
 //==============================================================================

From 5d74af4bf766ab732d320081be47b9c4f78303fe Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erkn@fysik.dtu.dk>
Date: Thu, 23 Jun 2022 11:35:46 +0200
Subject: [PATCH 0425/2654] declarations of MCPL-internals

---
 include/openmc/source.h | 13 +++++++++++--
 1 file changed, 11 insertions(+), 2 deletions(-)

diff --git a/include/openmc/source.h b/include/openmc/source.h
index cadbfe93b..69dd47eae 100644
--- a/include/openmc/source.h
+++ b/include/openmc/source.h
@@ -109,11 +109,20 @@ public:
   MCPLFileSource(std::string path);
   ~MCPLFileSource();
 
-  // Defer implementation to custom source library
-  SourceSite sample(uint64_t* seed) const override
+  // Properties
+  ParticleType particle_type() const { return particle_; }
+
+  //! Sample from the external source distribution
+  //! \param[inout] seed Pseudorandom seed pointer
+  //! \return Site read from MCPL-file
+  SourceSite sample(uint64_t* seed) const override;
 
 private:
+  ParticleType particle_ {ParticleType::neutron}; //!< Type of particle emitted
   vector <SourceSite> sites_; //!<source sites from an MCPL-file
+  mcpl_file_t mcpl_file;
+
+  uint64_t read_particles;
 };
 
 

From c66c37fd1307055bbcc4a707602ac19fe5c4d835 Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erkn@fysik.dtu.dk>
Date: Thu, 23 Jun 2022 11:37:05 +0200
Subject: [PATCH 0426/2654] internals of sample and constructor

---
 src/source.cpp | 51 ++++++++++++++++++++++++++++++++++++++++++++++----
 1 file changed, 47 insertions(+), 4 deletions(-)

diff --git a/src/source.cpp b/src/source.cpp
index 5e26fa0a8..231f355fc 100644
--- a/src/source.cpp
+++ b/src/source.cpp
@@ -337,7 +337,7 @@ CustomSourceWrapper::~CustomSourceWrapper()
 }
 
 //===========================================================================
-// Read an MCPL-file
+// Read particles from an MCPL-file
 //===========================================================================
 MCPLFileSource::MCPLFileSource(std::string path)
 {
@@ -348,12 +348,55 @@ MCPLFileSource::MCPLFileSource(std::string path)
    
   // Read the source from a binary file instead of sampling from some
   // assumed source distribution
-  write_message(6, "Reading source file from {}...", path);
+  write_message(6, "Reading mcpl source file from {}",path);
 
   // Open the mcpl file
-  id_t file_id = mcpl_open(path.c_str)
-  
+  mcpl_file = mcpl_open(path.c_str);
 
+  //do checks on the mcpl_file to see if particles are many enough.
+  // should model this on the example source shown in the docs.
+  uint64_t nparticles=mcpl_hdr_nparticles(mcpl_file);
+
+}
+
+MCPLFileSource::~MCPLFilsSource(){
+  mcpl_close_file(mcpl_file);
+}
+
+SourceSite MCPLFileSource::sample(uint64_t *seed){
+  SourceSite omc_particle;
+  mcpl_particle *mcpl_particle;
+  //extract particle from mcpl-file
+  mcpl_particle=mcpl_reazd(mcplfile);
+  // check if it is  a neutron or a photon. otherwise skip
+  while ( mcpl_particle->pdgcode!=2112 && mcpl_particle->pdgcode!=22 )
+  {
+    mcpl_particle(mcpl_read(mcplfile);
+    //check for file exhaustion
+  }
+
+  if(mcpl_particle->pdgcode=2112) {
+    omc_particle_=ParticleType::neutron;
+  } else {
+    omc_particle_=Particletype::photon;
+  }
+
+  //particle is good, convert to openmc-formalism
+  omc_particle.r.x=mcpl_particle.x;
+  omc_particle.r.y=mcpl_particle.y;
+  omc_particle.r.z=mcpl_particle.z;
+
+  omc_particle.u.x=mcpl_particle->direction[0];
+  omc_particle.u.y=mcpl_particle->direction[1];
+  omc_particle.u.z=mcpl_particle->direction[2];
+
+  //mcpl stores particles in MeV
+  omc_particle.E=mcpl_particle->ekin*1e6;
+
+  omc_particle.t=mcpl_particle->time*1e-3;
+  omc_particle.wgt=mcpl_particle->weight;
+  omc_particle.delayed_group=0;
+  return omc_particle;
 }
 
 

From 3e61076715b9a15285b2d731127b968c600d7812 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Sat, 25 Jun 2022 14:38:19 +0200
Subject: [PATCH 0427/2654] Changing check for Tabular to use std. dev.

---
 tests/unit_tests/test_stats.py | 16 ++++++++++++++--
 1 file changed, 14 insertions(+), 2 deletions(-)

diff --git a/tests/unit_tests/test_stats.py b/tests/unit_tests/test_stats.py
index f789a0dca..87d811881 100644
--- a/tests/unit_tests/test_stats.py
+++ b/tests/unit_tests/test_stats.py
@@ -165,14 +165,26 @@ def test_tabular():
 
     n_samples = 100_000
     samples = d.sample(n_samples, seed=100)
-    assert samples.mean() == pytest.approx(d.mean(), rel=1e-03)
+    diff = np.abs(samples - d.mean())
+    # within_1_sigma = np.count_nonzero(diff < samples.std())
+    # assert within_1_sigma / n_samples >= 0.68
+    within_2_sigma = np.count_nonzero(diff < 2*samples.std())
+    assert within_2_sigma / n_samples >= 0.95
+    within_3_sigma = np.count_nonzero(diff < 3*samples.std())
+    assert within_3_sigma / n_samples >= 0.99
 
     # test histogram sampling
     d = openmc.stats.Tabular(x, p, interpolation='histogram')
     d.normalize()
 
     samples = d.sample(n_samples, seed=100)
-    assert samples.mean() == pytest.approx(d.mean(), rel=1e-03)
+    diff = np.abs(samples - d.mean())
+    # within_1_sigma = np.count_nonzero(diff < samples.std())
+    # assert within_1_sigma / n_samples >= 0.68
+    within_2_sigma = np.count_nonzero(diff < 2*samples.std())
+    assert within_2_sigma / n_samples >= 0.95
+    within_3_sigma = np.count_nonzero(diff < 3*samples.std())
+    assert within_3_sigma / n_samples >= 0.99
 
 
 def test_legendre():

From e9eaf2edef09fe4cec82810d8669e6437d512a4d Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Sun, 26 Jun 2022 01:10:53 -0400
Subject: [PATCH 0428/2654] Using std. dev. of sampled mean for comparison

---
 tests/unit_tests/test_stats.py | 33 +++++++++++++++++++++++++--------
 1 file changed, 25 insertions(+), 8 deletions(-)

diff --git a/tests/unit_tests/test_stats.py b/tests/unit_tests/test_stats.py
index 87d811881..b57f9578a 100644
--- a/tests/unit_tests/test_stats.py
+++ b/tests/unit_tests/test_stats.py
@@ -36,8 +36,10 @@ def test_discrete():
     # sample discrete distribution
     n_samples = 1_000_000
     samples = d3.sample(n_samples, seed=100)
-    # check that the mean of the samples is close to the true mean
-    assert samples.mean() == pytest.approx(exp_mean, rel=1e-02)
+    # check that the mean of the samples is within 3 std. dev.
+    # of the expected mean
+    std_dev = samples.std() / np.sqrt(n_samples)
+    assert np.abs(exp_mean - samples.mean()) < 3*std_dev
 
 
 def test_merge_discrete():
@@ -81,7 +83,10 @@ def test_uniform():
     exp_mean = 0.5 * (a + b)
     n_samples = 1_000_000
     samples = d.sample(n_samples, seed=100)
-    assert samples.mean() == pytest.approx(exp_mean, rel=1e-02)
+    # check that the mean of the samples is within 3 std. dev.
+    # of the expected mean
+    std_dev = samples.std() / np.sqrt(n_samples)
+    assert np.abs(exp_mean - samples.mean()) < 3*std_dev
 
 
 def test_powerlaw():
@@ -100,7 +105,10 @@ def test_powerlaw():
     # sample power law distribution
     n_samples = 1_000_000
     samples = d.sample(n_samples, seed=100)
-    assert samples.mean() == pytest.approx(exp_mean, rel=1e-02)
+    # check that the mean of the samples is within 3 std. dev.
+    # of the expected mean
+    std_dev = samples.std() / np.sqrt(n_samples)
+    assert np.abs(exp_mean - samples.mean()) < 3*std_dev
 
 
 def test_maxwell():
@@ -117,13 +125,19 @@ def test_maxwell():
     # sample maxwell distribution
     n_samples = 1_000_000
     samples = d.sample(n_samples, seed=100)
-    assert samples.mean() == pytest.approx(exp_mean, rel=1e-02)
+    # check that the mean of the samples is within 3 std. dev.
+    # of the expected mean
+    std_dev = samples.std() / np.sqrt(n_samples)
+    assert np.abs(exp_mean - samples.mean()) < 3*std_dev
 
     # A second sample with a different seed
     samples_2 = d.sample(n_samples, seed=200)
-    assert samples_2.mean() == pytest.approx(exp_mean, rel=1e-02)
-    assert samples_2.mean() != samples.mean()
+    # check that the mean of the samples is within 3 std. dev.
+    # of the expected mean
+    std_dev = samples_2.std() / np.sqrt(n_samples)
+    assert np.abs(exp_mean - samples_2.mean()) < 3*std_dev
 
+    assert samples_2.mean() != samples.mean()
 
 
 def test_watt():
@@ -145,7 +159,10 @@ def test_watt():
     # sample Watt distribution
     n_samples = 1_000_000
     samples = d.sample(n_samples, seed=100)
-    assert samples.mean() == pytest.approx(exp_mean, rel=1e-03)
+    # check that the mean of the samples is within 3 std. dev.
+    # of the expected mean
+    std_dev = samples.std() / np.sqrt(n_samples)
+    assert np.abs(exp_mean - samples.mean()) < 3*std_dev
 
 
 def test_tabular():

From 491798b24dc13dc839ef7e421c453aeff450929b Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Mon, 27 Jun 2022 09:59:11 -0500
Subject: [PATCH 0429/2654] remove model parameter, replace with nuclides
 parameter

We will be passing a data structure that already contains nuclide and
cross section information to this class, so we will not need all the
capabilities of an openmc Model.
---
 openmc/deplete/flux_operator.py | 16 ++++------------
 1 file changed, 4 insertions(+), 12 deletions(-)

diff --git a/openmc/deplete/flux_operator.py b/openmc/deplete/flux_operator.py
index 17b43dcfd..dbc7eaa2a 100644
--- a/openmc/deplete/flux_operator.py
+++ b/openmc/deplete/flux_operator.py
@@ -41,10 +41,10 @@ class FluxSpectraDepletionOperator(TransportOperator, Operator):
 
     Parameters
     ----------
-    model : openmc.model.Model
-       OpenMC Model object. Must contain geometry and materials information.
+    nuclides : pandas.DataFrame
+        DataFrame contaning nuclide concentration as well as cross section data.
     flux_spectra : ???
-        Unnormalized flux spectrum.
+        Flux spectrum
     chain_file : str
         Path to the depletion chain XML file.
     fission_q : dict, optional
@@ -77,25 +77,17 @@ class FluxSpectraDepletionOperator(TransportOperator, Operator):
         results are to be used.
     """
 
-    def __init__(self, model, flux_spectra, chain_file, fission_q=None, dilute_initial=1.0e3,
+    def __init__(self, nuclides, flux_spectra, chain_file, fission_q=None, dilute_initial=1.0e3,
                  prev_results=None, reduce_chain=False, reduce_chain_level=None):
 
         # Determine cross sections / depletion chain
         # TODO : add support for mg cross sections to _find_cross_sections
-        cross_sections = _find_cross_sections(model)
         if chain_file is None:
             chain_file = _find_chain_file(cross_sections)
 
         TransportOperator.__init__(chain_file, fission_q, dilute_initial, prev_results)
         self.round_number = False
-        self.geometry = model.geometry
 
-        # determine set of materials in the model
-        if not model.materials:
-            model.materials = openmc.Materials(
-                model.geometry.get_all_materials().values()
-            )
-        self.materials = model.materials
         self.flux_spectra = flux_spectra
 
         # Reduce the chain before we create more materials

From 498deeea28d1d927599cb860f8717c7aba5cf76c Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Mon, 27 Jun 2022 10:11:50 -0500
Subject: [PATCH 0430/2654] modify block reducing depletion chain This change
 modifies the block to handle information stored in the nuclides parameter

---
 openmc/deplete/flux_operator.py | 16 ++++++++--------
 1 file changed, 8 insertions(+), 8 deletions(-)

diff --git a/openmc/deplete/flux_operator.py b/openmc/deplete/flux_operator.py
index dbc7eaa2a..d8688aa60 100644
--- a/openmc/deplete/flux_operator.py
+++ b/openmc/deplete/flux_operator.py
@@ -80,6 +80,9 @@ class FluxSpectraDepletionOperator(TransportOperator, Operator):
     def __init__(self, nuclides, flux_spectra, chain_file, fission_q=None, dilute_initial=1.0e3,
                  prev_results=None, reduce_chain=False, reduce_chain_level=None):
 
+
+        # TODO : validate nuclides parameter
+
         # Determine cross sections / depletion chain
         # TODO : add support for mg cross sections to _find_cross_sections
         if chain_file is None:
@@ -90,15 +93,12 @@ class FluxSpectraDepletionOperator(TransportOperator, Operator):
 
         self.flux_spectra = flux_spectra
 
-        # Reduce the chain before we create more materials
+        # Reduce the chain
         if reduce_chain:
-            all_isotopes = set()
-            for material in self.materials:
-                if not material.depletable:
-                    continue
-                for name, _dens_percent, _dens_type in material.nuclides:
-                    all_isotopes.add(name)
-            self.chain = self.chain.reduce(all_isotopes, reduce_chain_level)
+            all_nuclides = set()
+            for nuclide_name in nuclides.index:
+                all_isotopes.add(nuclide_name)
+            self.chain = self.chain.reduce(all_nuclides, reduce_chain_level)
 
         # Clear out OpenMC, create task lists, distribute
         self.burnable_mats, volume, nuclides = Operator._get_burnable_mats()

From 200ea764aced25a48f6e47b241236eb9744a2231 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Mon, 27 Jun 2022 10:40:43 -0500
Subject: [PATCH 0431/2654] make FluxSpectraDepletionOperator not a subclass of
 Operator

---
 openmc/deplete/flux_operator.py | 14 ++++++--------
 1 file changed, 6 insertions(+), 8 deletions(-)

diff --git a/openmc/deplete/flux_operator.py b/openmc/deplete/flux_operator.py
index d8688aa60..8981a5d01 100644
--- a/openmc/deplete/flux_operator.py
+++ b/openmc/deplete/flux_operator.py
@@ -19,7 +19,6 @@ from openmc.checkvalue import check_value
 from openmc.data import DataLibrary
 from openmc.exceptions import DataError
 from openmc.mpi import comm
-from .operator import Operator, _distribute, _find_cross_sections
 from .abc import TransportOperator, OperatorResult
 from .atom_number import AtomNumber
 from .chain import _find_chain_file
@@ -28,7 +27,7 @@ from .results import Results
 
 
 
-class FluxSpectraDepletionOperator(TransportOperator, Operator):
+class FluxSpectraDepletionOperator(TransportOperator):
     """Depletion operator that uses a user provided flux spectrum to
     calculate reaction rates. The flux provided must match the type of cross
     section library in use (contunuous flux for continuous energy library,
@@ -101,7 +100,7 @@ class FluxSpectraDepletionOperator(TransportOperator, Operator):
             self.chain = self.chain.reduce(all_nuclides, reduce_chain_level)
 
         # Clear out OpenMC, create task lists, distribute
-        self.burnable_mats, volume, nuclides = Operator._get_burnable_mats()
+        self.burnable_mats, volume, nuclides = self.get_burnable_mats()
         self.local_mats = _distribute(self.burnable_mats)
 
         # Generate map from local materials => material index
@@ -110,16 +109,15 @@ class FluxSpectraDepletionOperator(TransportOperator, Operator):
 
         # TODO: add support for loading previous results
 
-        # Determine which nuclides have incident neutron data
-        # TODO : add support for mg cross sections to Operator._get_nuclides_with_data
-        self.nuclides_with_data = Operator._get_nuclides_with_data(mg_cross_sections)
+        # TODO : Determine which nuclides have incident neutron data
+        self.nuclides_with_data = self._get_nuclides_with_data()
 
         # Select nuclides with data that are also in the chain
         self._burnable_nucs = [nuc.name for nuc in self.chain.nuclides
                                if nuc.name in self.nuclides_with_data]
 
         # Extract number densities from the geometry / previous depletion run
-        Operator._extract_number(self.local_mats, volume, nuclides, self.prev_res)
+        self._extract_number(self.local_mats, volume, nuclides, self.prev_res)
 
         # Create reaction rates array
         self.reaction_rates = ReactionRates(
@@ -152,7 +150,7 @@ class FluxSpectraDepletionOperator(TransportOperator, Operator):
         self._update_materials()
 
         # Update tally nuclides data in preparation for transport solve
-        nuclides = Operator._get_tally_nuclides()
+        nuclides = self.._get_tally_nuclides()
         self._rate_helper.nuclides = nuclides
         self._normalization_helper.nuclides = nuclides
         self._yield_helper.update_tally_nuclides(nuclides)

From fa6fd9384e07385bced4ca1b8bfa498600ebb496 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Mon, 27 Jun 2022 10:45:50 -0500
Subject: [PATCH 0432/2654] make nuclude concentrations and nuclide cross
 section data parameters separate

---
 openmc/deplete/flux_operator.py | 18 ++++++++----------
 1 file changed, 8 insertions(+), 10 deletions(-)

diff --git a/openmc/deplete/flux_operator.py b/openmc/deplete/flux_operator.py
index 8981a5d01..78ef8b8c4 100644
--- a/openmc/deplete/flux_operator.py
+++ b/openmc/deplete/flux_operator.py
@@ -40,8 +40,11 @@ class FluxSpectraDepletionOperator(TransportOperator):
 
     Parameters
     ----------
-    nuclides : pandas.DataFrame
-        DataFrame contaning nuclide concentration as well as cross section data.
+    nuclides : dict of str to float
+        Dictionary with nuclides names as keys and concentration as values.
+    micro_xs : pandas.DataFrame
+        DataFrame with nuclides names as index and microscopic cross section
+        data in the columns.
     flux_spectra : ???
         Flux spectrum
     chain_file : str
@@ -76,16 +79,11 @@ class FluxSpectraDepletionOperator(TransportOperator):
         results are to be used.
     """
 
-    def __init__(self, nuclides, flux_spectra, chain_file, fission_q=None, dilute_initial=1.0e3,
+    def __init__(self, nuclides, micro_xs, flux_spectra, chain_file, fission_q=None, dilute_initial=1.0e3,
                  prev_results=None, reduce_chain=False, reduce_chain_level=None):
 
 
-        # TODO : validate nuclides parameter
-
-        # Determine cross sections / depletion chain
-        # TODO : add support for mg cross sections to _find_cross_sections
-        if chain_file is None:
-            chain_file = _find_chain_file(cross_sections)
+        # TODO : validate nuclides and micro-xs parameters
 
         TransportOperator.__init__(chain_file, fission_q, dilute_initial, prev_results)
         self.round_number = False
@@ -95,7 +93,7 @@ class FluxSpectraDepletionOperator(TransportOperator):
         # Reduce the chain
         if reduce_chain:
             all_nuclides = set()
-            for nuclide_name in nuclides.index:
+            for nuclide_name in nuclides.keys():
                 all_isotopes.add(nuclide_name)
             self.chain = self.chain.reduce(all_nuclides, reduce_chain_level)
 

From 194c846bd72c6a722635104d9401ef1277161168 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Mon, 27 Jun 2022 11:10:06 -0500
Subject: [PATCH 0433/2654] remove local_mats attribute

---
 openmc/deplete/flux_operator.py | 13 ++++---------
 1 file changed, 4 insertions(+), 9 deletions(-)

diff --git a/openmc/deplete/flux_operator.py b/openmc/deplete/flux_operator.py
index 78ef8b8c4..0e74eb824 100644
--- a/openmc/deplete/flux_operator.py
+++ b/openmc/deplete/flux_operator.py
@@ -98,12 +98,7 @@ class FluxSpectraDepletionOperator(TransportOperator):
             self.chain = self.chain.reduce(all_nuclides, reduce_chain_level)
 
         # Clear out OpenMC, create task lists, distribute
-        self.burnable_mats, volume, nuclides = self.get_burnable_mats()
-        self.local_mats = _distribute(self.burnable_mats)
-
-        # Generate map from local materials => material index
-        self._mat_index_map = {
-            lm: self.burnable_mats.index(lm) for lm in self.local_mats}
+        #self.burnable_mats, volume, nuclides = self.get_burnable_mats()
 
         # TODO: add support for loading previous results
 
@@ -115,11 +110,11 @@ class FluxSpectraDepletionOperator(TransportOperator):
                                if nuc.name in self.nuclides_with_data]
 
         # Extract number densities from the geometry / previous depletion run
-        self._extract_number(self.local_mats, volume, nuclides, self.prev_res)
+        self._extract_number('0', volume, nuclides, self.prev_res)
 
         # Create reaction rates array
         self.reaction_rates = ReactionRates(
-            self.local_mats, self._burnable_nucs, self.chain.reactions)
+            '0', self._burnable_nucs, self.chain.reactions)
 
         # TODO : set up rate, yield, and normalization helper objects
 
@@ -170,7 +165,7 @@ class FluxSpectraDepletionOperator(TransportOperator):
         number = np.empty(rates.n_nuc)
 
         # Extract results
-        for i, mat in enumerate(self.local_mats):
+        for i, mat in enumerate(...):
             # Get tally index
             mat_index = self._mat_index_map[mat]
 

From 9096b1e0f020c6cda8b20a9ae972f159f6e77105 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Mon, 27 Jun 2022 11:22:36 -0500
Subject: [PATCH 0434/2654] remove looping over materials in the _call_ method

---
 openmc/deplete/flux_operator.py | 15 ++++++++++-----
 1 file changed, 10 insertions(+), 5 deletions(-)

diff --git a/openmc/deplete/flux_operator.py b/openmc/deplete/flux_operator.py
index 0e74eb824..0dd87a32a 100644
--- a/openmc/deplete/flux_operator.py
+++ b/openmc/deplete/flux_operator.py
@@ -110,7 +110,7 @@ class FluxSpectraDepletionOperator(TransportOperator):
                                if nuc.name in self.nuclides_with_data]
 
         # Extract number densities from the geometry / previous depletion run
-        self._extract_number('0', volume, nuclides, self.prev_res)
+        self._extract_number('0', volume, list(nuclides.keys()), self.prev_res)
 
         # Create reaction rates array
         self.reaction_rates = ReactionRates(
@@ -164,10 +164,15 @@ class FluxSpectraDepletionOperator(TransportOperator):
         # numbers, zeroed out in material iteration
         number = np.empty(rates.n_nuc)
 
-        # Extract results
-        for i, mat in enumerate(...):
-            # Get tally index
-            mat_index = self._mat_index_map[mat]
+        # Zero out reaction rates and nuclide numbers
+         number.fill(0.0)
+
+        # Get new number densities
+        for nuc, i_nuc_results in zip(nuclides, nuc_ind):
+            number[i_nuc_results] = self.number['0', nuc]
+
+
+
 
             # TODO : add machinery to multiply
             # each cross section by the corresponding flux

From 1e631991303c74202b945f328f2a93339ab30eef Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Mon, 27 Jun 2022 11:31:18 -0500
Subject: [PATCH 0435/2654] add ConstantFissionYieldHelper

---
 openmc/deplete/flux_operator.py | 18 +++++++++++++-----
 1 file changed, 13 insertions(+), 5 deletions(-)

diff --git a/openmc/deplete/flux_operator.py b/openmc/deplete/flux_operator.py
index 0dd87a32a..593a1ccff 100644
--- a/openmc/deplete/flux_operator.py
+++ b/openmc/deplete/flux_operator.py
@@ -24,6 +24,9 @@ from .atom_number import AtomNumber
 from .chain import _find_chain_file
 from .reaction_rates import ReactionRates
 from .results import Results
+from .helpers import (
+    DirectReactionRateHelper, ChainFissionHelper, ConstantFissionYieldHelper)
+
 
 
 
@@ -116,7 +119,12 @@ class FluxSpectraDepletionOperator(TransportOperator):
         self.reaction_rates = ReactionRates(
             '0', self._burnable_nucs, self.chain.reactions)
 
-        # TODO : set up rate, yield, and normalization helper objects
+        # Select and create fission yield helper
+        fission_helper = ConstantFissionYieldHelper
+        fission_yield_opts = (
+            {} if fission_yield_opts is None else fission_yield_opts)
+        self._yield_helper = fission_helper.from_operator(
+            self, **fission_yield_opts)
 
 
     def __call__(self, vec, source_rate):
@@ -143,13 +151,12 @@ class FluxSpectraDepletionOperator(TransportOperator):
         self._update_materials()
 
         # Update tally nuclides data in preparation for transport solve
-        nuclides = self.._get_tally_nuclides()
+        nuclides = self._get_tally_nuclides()
         self._rate_helper.nuclides = nuclides
         self._normalization_helper.nuclides = nuclides
         self._yield_helper.update_tally_nuclides(nuclides)
 
 
-
         rates = self.reaction_rates
         rates.fill(0.0)
 
@@ -165,13 +172,14 @@ class FluxSpectraDepletionOperator(TransportOperator):
         number = np.empty(rates.n_nuc)
 
         # Zero out reaction rates and nuclide numbers
-         number.fill(0.0)
+        number.fill(0.0)
 
         # Get new number densities
         for nuc, i_nuc_results in zip(nuclides, nuc_ind):
             number[i_nuc_results] = self.number['0', nuc]
 
-
+        # Compute fission yields for this material
+        fission_yields.append(self._yield_helper.weighted_yields(i))
 
 
             # TODO : add machinery to multiply

From b9f75d961b534eb463a0f99655a1e6ad2889287f Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Mon, 27 Jun 2022 11:48:50 -0500
Subject: [PATCH 0436/2654] clean up __call__ method

---
 openmc/deplete/flux_operator.py | 91 +++++++++++++++++++++++++--------
 1 file changed, 69 insertions(+), 22 deletions(-)

diff --git a/openmc/deplete/flux_operator.py b/openmc/deplete/flux_operator.py
index 593a1ccff..f7a29b5b8 100644
--- a/openmc/deplete/flux_operator.py
+++ b/openmc/deplete/flux_operator.py
@@ -25,7 +25,8 @@ from .chain import _find_chain_file
 from .reaction_rates import ReactionRates
 from .results import Results
 from .helpers import (
-    DirectReactionRateHelper, ChainFissionHelper, ConstantFissionYieldHelper)
+    FluxReactionRateHelper, ChainFissionHelper, SourceRateHelper,
+    ConstantFissionYieldHelper)
 
 
 
@@ -150,27 +151,35 @@ class FluxSpectraDepletionOperator(TransportOperator):
         self.number.set_density(vec)
         self._update_materials()
 
-        # Update tally nuclides data in preparation for transport solve
-        nuclides = self._get_tally_nuclides()
+        # Update nuclides data in preparation for transport solve
+        nuclides = self._get_reaction_nuclides()
         self._rate_helper.nuclides = nuclides
-        self._normalization_helper.nuclides = nuclides
         self._yield_helper.update_tally_nuclides(nuclides)
 
-
         rates = self.reaction_rates
         rates.fill(0.0)
 
         # Get k and uncertainty
         # TODO : add functionality to get this from the transport solver
+        keff = ...
 
         # Form fast map
         nuc_ind = [rates.index_nuc[nuc] for nuc in nuclides]
         react_ind = [rates.index_rx[react] for react in self.chain.reactions]
 
+        # Keep track of energy produced from all reactions in eV per source
+        # particle
+        self._normalization_helper.reset()
+
+        # Store fission yield dictionaries
+        fission_yields = []
+
         # Create arrays to store fission Q values, reaction rates, and nuclide
         # numbers, zeroed out in material iteration
         number = np.empty(rates.n_nuc)
 
+        fission_ind = rates.index_rx.get("fission")
+
         # Zero out reaction rates and nuclide numbers
         number.fill(0.0)
 
@@ -178,18 +187,20 @@ class FluxSpectraDepletionOperator(TransportOperator):
         for nuc, i_nuc_results in zip(nuclides, nuc_ind):
             number[i_nuc_results] = self.number['0', nuc]
 
+        # TODO : implement rate helper for flux and xs inputs
+        reaction_rates = self._rate_helper.get_material_rates(
+                0, nuc_ind, react_ind)
+
         # Compute fission yields for this material
-        fission_yields.append(self._yield_helper.weighted_yields(i))
+        fission_yields.append(self._yield_helper.weighted_yields(0))
 
+        # Accumulate energy from fission
+        if fission_ind is not None:
+            self._normalization_helper.update(reaction_rates[:, fission_ind])
 
-            # TODO : add machinery to multiply
-            # each cross section by the corresponding flux
+        # Divide by total number and store
+        rates[0] = self._rate_helper.divide_by_adens(number)
 
-            ...
-
-
-        # TODO: add flow control to determine if we need to scale
-        # the reaction rates
         # Scale reaction rates to obtain units of reactions/sec
         rates *= self._normalization_helper.factor(source_rate)
 
@@ -210,16 +221,7 @@ class FluxSpectraDepletionOperator(TransportOperator):
 
         # TODO : implement these functions so they can store the
         # cross section data
-        materials = [openmc.lib.materials[int(i)]
-                     for i in self.burnable_mats]
         self._rate_helper.generate_tallies(materials, self.chain.reactions)
-        self._normalization_helper.prepare(
-            self.chain.nuclides, self.reaction_rates.index_nuc)
-        # Tell fission yield helper what materials this process is
-        # responsible for
-        self._yield_helper.generate_tallies(
-            materials, tuple(sorted(self._mat_index_map.values())))
-
 
         # Return number density vector
         return list(self.number.get_mat_slice(np.s_[:]))
@@ -275,3 +277,48 @@ class FluxSpectraDepletionOperator(TransportOperator):
 
                 #TODO Update densities on the Python side, otherwise the
                 # summary.h5 file contains densities at the first time step
+
+    def _get_reaction_nuclides(self):
+        """Determine nuclides that should be tallied for reaction rates.
+
+        This method returns a list of all nuclides that have neutron data and
+        are listed in the depletion chain. Technically, we should tally nuclides
+        that may not appear in the depletion chain because we still need to get
+        the fission reaction rate for these nuclides in order to normalize
+        power, but that is left as a future exercise.
+
+        Returns
+        -------
+        list of str
+            Tally nuclides
+
+        """
+        nuc_set = set()
+
+        # Create the set of all nuclides in the decay chain in materials marked
+        # for burning in which the number density is greater than zero.
+        for nuc in self.number.nuclides:
+            if nuc in self.nuclides_with_data:
+                if np.sum(self.number[:, nuc]) > 0.0:
+                    nuc_set.add(nuc)
+
+        # Communicate which nuclides have nonzeros to rank 0
+        if comm.rank == 0:
+            for i in range(1, comm.size):
+                nuc_newset = comm.recv(source=i, tag=i)
+                nuc_set |= nuc_newset
+        else:
+            comm.send(nuc_set, dest=0, tag=comm.rank)
+
+        if comm.rank == 0:
+            # Sort nuclides in the same order as self.number
+            nuc_list = [nuc for nuc in self.number.nuclides
+                        if nuc in nuc_set]
+        else:
+            nuc_list = None
+
+        # Store list of tally nuclides on each process
+        nuc_list = comm.bcast(nuc_list)
+        return [nuc for nuc in nuc_list if nuc in self.chain]
+
+

From 28a7b587aa9bb03b38ca22c40c5d8f965c9a3d4d Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Mon, 27 Jun 2022 15:15:29 -0500
Subject: [PATCH 0437/2654] refine __call__; remove/disable _rate_helper
 attribute; add _normalization_helper, _yield_helper attributes

---
 openmc/deplete/flux_operator.py | 37 ++++++++++++++++++++-------------
 1 file changed, 23 insertions(+), 14 deletions(-)

diff --git a/openmc/deplete/flux_operator.py b/openmc/deplete/flux_operator.py
index f7a29b5b8..02ef64cf0 100644
--- a/openmc/deplete/flux_operator.py
+++ b/openmc/deplete/flux_operator.py
@@ -89,7 +89,7 @@ class FluxSpectraDepletionOperator(TransportOperator):
 
         # TODO : validate nuclides and micro-xs parameters
 
-        TransportOperator.__init__(chain_file, fission_q, dilute_initial, prev_results)
+        super.__init__(chain_file, fission_q, dilute_initial, prev_results)
         self.round_number = False
 
         self.flux_spectra = flux_spectra
@@ -120,6 +120,12 @@ class FluxSpectraDepletionOperator(TransportOperator):
         self.reaction_rates = ReactionRates(
             '0', self._burnable_nucs, self.chain.reactions)
 
+        # Initialize normalization helper
+        if normalization_mode == "fission-q":
+            self._normalization_helper = ChainFissionHelper()
+        else:
+            self._normalization_helper = SourceRateHelper()
+
         # Select and create fission yield helper
         fission_helper = ConstantFissionYieldHelper
         fission_yield_opts = (
@@ -145,15 +151,12 @@ class FluxSpectraDepletionOperator(TransportOperator):
 
         """
 
-
-
         # Update the number densities regardless of the source rate
         self.number.set_density(vec)
         self._update_materials()
 
         # Update nuclides data in preparation for transport solve
         nuclides = self._get_reaction_nuclides()
-        self._rate_helper.nuclides = nuclides
         self._yield_helper.update_tally_nuclides(nuclides)
 
         rates = self.reaction_rates
@@ -185,24 +188,31 @@ class FluxSpectraDepletionOperator(TransportOperator):
 
         # Get new number densities
         for nuc, i_nuc_results in zip(nuclides, nuc_ind):
-            number[i_nuc_results] = self.number['0', nuc]
+            number[i_nuc_results] = self.number[0, nuc]
 
-        # TODO : implement rate helper for flux and xs inputs
-        reaction_rates = self._rate_helper.get_material_rates(
-                0, nuc_ind, react_ind)
+        # Store microscopic cross sections in rates array
+        for nuc in nuclides:
+            for rxn in self.chain.reactions:
+                rates.set('0', nuc, rxn, self.micro_xs[rxn].loc[nuc])
+
+        # Get reaction rate in reactions/sec
+        rates *= self.flux_spectra
 
         # Compute fission yields for this material
         fission_yields.append(self._yield_helper.weighted_yields(0))
 
         # Accumulate energy from fission
         if fission_ind is not None:
-            self._normalization_helper.update(reaction_rates[:, fission_ind])
+            self._normalization_helper.update(rxn_rates[:, fission_ind])
 
+        ## These don't seem relevant so I'm commenting them out for now
+        ## will delete if they are indeed not useful
         # Divide by total number and store
-        rates[0] = self._rate_helper.divide_by_adens(number)
+        #rates[0] = self._rate_helper.divide_by_adens(number)
 
         # Scale reaction rates to obtain units of reactions/sec
-        rates *= self._normalization_helper.factor(source_rate)
+        #rates *= self._normalization_helper.factor(source_rate)
+        ##
 
         # Store new fission yields on the chain
         self.chain.fission_yields = fission_yields
@@ -219,9 +229,8 @@ class FluxSpectraDepletionOperator(TransportOperator):
             Total density for initial conditions.
         """
 
-        # TODO : implement these functions so they can store the
-        # cross section data
-        self._rate_helper.generate_tallies(materials, self.chain.reactions)
+        self._normalization_helper.prepare(
+            self.chain.nuclides, self.reaction_rates.index_nuc)
 
         # Return number density vector
         return list(self.number.get_mat_slice(np.s_[:]))

From b85da509885338b7976859d2e8ada7ed2ea15263 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Mon, 27 Jun 2022 15:53:48 -0500
Subject: [PATCH 0438/2654] add basic type verification for nuclides, micro_xs
 parameters; comment out _normalization_helper attribute

---
 openmc/deplete/flux_operator.py | 31 ++++++++++++++++---------------
 1 file changed, 16 insertions(+), 15 deletions(-)

diff --git a/openmc/deplete/flux_operator.py b/openmc/deplete/flux_operator.py
index 02ef64cf0..e3bc6a5f3 100644
--- a/openmc/deplete/flux_operator.py
+++ b/openmc/deplete/flux_operator.py
@@ -12,6 +12,7 @@ import os
 from warnings import warn
 
 import numpy as np
+import pandas as pd
 from uncertainties import ufloat
 
 import openmc
@@ -49,8 +50,8 @@ class FluxSpectraDepletionOperator(TransportOperator):
     micro_xs : pandas.DataFrame
         DataFrame with nuclides names as index and microscopic cross section
         data in the columns.
-    flux_spectra : ???
-        Flux spectrum
+    flux_spectra : float
+        Flux spectrum [n cm^-2 s^-1]
     chain_file : str
         Path to the depletion chain XML file.
     fission_q : dict, optional
@@ -85,13 +86,8 @@ class FluxSpectraDepletionOperator(TransportOperator):
 
     def __init__(self, nuclides, micro_xs, flux_spectra, chain_file, fission_q=None, dilute_initial=1.0e3,
                  prev_results=None, reduce_chain=False, reduce_chain_level=None):
-
-
-        # TODO : validate nuclides and micro-xs parameters
-
         super.__init__(chain_file, fission_q, dilute_initial, prev_results)
         self.round_number = False
-
         self.flux_spectra = flux_spectra
 
         # Reduce the chain
@@ -101,6 +97,10 @@ class FluxSpectraDepletionOperator(TransportOperator):
                 all_isotopes.add(nuclide_name)
             self.chain = self.chain.reduce(all_nuclides, reduce_chain_level)
 
+        # Validate nuclides and micro-xs parameters
+        check_value('nuclides', nuclides, dict, str)
+        check_type('micro_xs', micro_xs, pd.DataFrame)
+
         # Clear out OpenMC, create task lists, distribute
         #self.burnable_mats, volume, nuclides = self.get_burnable_mats()
 
@@ -113,6 +113,7 @@ class FluxSpectraDepletionOperator(TransportOperator):
         self._burnable_nucs = [nuc.name for nuc in self.chain.nuclides
                                if nuc.name in self.nuclides_with_data]
 
+        # TODO : implement _extract_number
         # Extract number densities from the geometry / previous depletion run
         self._extract_number('0', volume, list(nuclides.keys()), self.prev_res)
 
@@ -121,10 +122,10 @@ class FluxSpectraDepletionOperator(TransportOperator):
             '0', self._burnable_nucs, self.chain.reactions)
 
         # Initialize normalization helper
-        if normalization_mode == "fission-q":
-            self._normalization_helper = ChainFissionHelper()
-        else:
-            self._normalization_helper = SourceRateHelper()
+        #if normalization_mode == "fission-q":
+        #    self._normalization_helper = ChainFissionHelper()
+        #else:
+        #    self._normalization_helper = SourceRateHelper()
 
         # Select and create fission yield helper
         fission_helper = ConstantFissionYieldHelper
@@ -202,8 +203,8 @@ class FluxSpectraDepletionOperator(TransportOperator):
         fission_yields.append(self._yield_helper.weighted_yields(0))
 
         # Accumulate energy from fission
-        if fission_ind is not None:
-            self._normalization_helper.update(rxn_rates[:, fission_ind])
+        #if fission_ind is not None:
+        #    self._normalization_helper.update(rxn_rates[:, fission_ind])
 
         ## These don't seem relevant so I'm commenting them out for now
         ## will delete if they are indeed not useful
@@ -229,8 +230,8 @@ class FluxSpectraDepletionOperator(TransportOperator):
             Total density for initial conditions.
         """
 
-        self._normalization_helper.prepare(
-            self.chain.nuclides, self.reaction_rates.index_nuc)
+        #self._normalization_helper.prepare(
+        #    self.chain.nuclides, self.reaction_rates.index_nuc)
 
         # Return number density vector
         return list(self.number.get_mat_slice(np.s_[:]))

From 909b96f31e90a8a8ce40e890b3f4e73ee516466b Mon Sep 17 00:00:00 2001
From: erkn <erik@vonbrun.org>
Date: Mon, 27 Jun 2022 23:25:35 +0200
Subject: [PATCH 0439/2654] (wip): skeleton for input only test

---
 .../regression_tests/source_mcpl_file/test.py | 52 +++++++++++++++++++
 1 file changed, 52 insertions(+)
 create mode 100644 tests/regression_tests/source_mcpl_file/test.py

diff --git a/tests/regression_tests/source_mcpl_file/test.py b/tests/regression_tests/source_mcpl_file/test.py
new file mode 100644
index 000000000..5a6a87d87
--- /dev/null
+++ b/tests/regression_tests/source_mcpl_file/test.py
@@ -0,0 +1,52 @@
+import pathlib as pl
+import os
+import shutil
+import subprocess
+import textwrap
+
+import openmc
+import pytest
+
+from tests.testing_harness import TestHarness
+
+def model():
+  subprocess.run(['gcc','-o gen_dummt_mcpl.out','-lm','-lmcpl','gen_dummy_mcpl.c'] )
+  subprocess.run(['./gen_dummy_mcpl.out'])
+    
+class SourceMCPLFileTestHarness(TestHarness):
+  def execute_test(self):
+    """Run OpenMC with the appropriate arguments and check the outputs."""
+    try:
+      self._create_input()
+      self._run_openmc()
+      self._test_output_created()
+      results = self._get_results()
+      self._write_results(results)
+      self._compare_results()
+    finally:
+      self._cleanup()
+
+  def update_results(self):
+    """Update the results_true using the current version of OpenMC."""
+    try:
+      self._create_input()
+      self._run_openmc()
+      self._test_output_created()
+      results = self._get_results()
+      self._write_results(results)
+      self._overwrite_results()
+    finally:
+      self._cleanup()
+
+  def _test_output_created(self):
+    """Check that the output files were created"""
+    stat        epoint = glob.glob(os.path.join(os.getcwd(), self._sp_name))
+    assert len(statepoint) == 1, 'Either multiple or no statepoint files ' \
+      'exist.'
+    assert statepoint[0].endswith('h5'), \
+      'statepoint file does not end with h5.'
+
+def test_mcpl_source_file():
+  harness = SourceMCPLFileTestHarness('statepoint.10.h5')
+  harness.main()
+  

From 3c30dbba5b643e8464eb9b45a8667e08bf6ad44b Mon Sep 17 00:00:00 2001
From: erkn <erik@vonbrun.org>
Date: Mon, 27 Jun 2022 23:26:01 +0200
Subject: [PATCH 0440/2654] c-prog to generate a dummy mcpl

---
 .../source_mcpl_file/gen_dummy_mcpl.c         | 97 +++++++++++++++++++
 1 file changed, 97 insertions(+)
 create mode 100644 tests/regression_tests/source_mcpl_file/gen_dummy_mcpl.c

diff --git a/tests/regression_tests/source_mcpl_file/gen_dummy_mcpl.c b/tests/regression_tests/source_mcpl_file/gen_dummy_mcpl.c
new file mode 100644
index 000000000..7b5a933f1
--- /dev/null
+++ b/tests/regression_tests/source_mcpl_file/gen_dummy_mcpl.c
@@ -0,0 +1,97 @@
+#include <mcpl.h>
+#include <stdio.h>
+#include <stdlib.h>
+#include <math.h>
+
+const int batches=10;
+const int particles=10000;
+
+double rand01(){
+  double r=rand()/((double) RAND_MAX);
+  return r;
+}
+
+
+int main(int argc, char **argv){
+  char outfilename[128];
+  snprintf(outfilename,127,"source.%d.mcpl",batches);
+
+  /*generate an mcpl_header_of sorts*/
+  mcpl_outfile_t outfile=mcpl_create_outfile(outfilename);
+  mcpl_particle_t *particle, Particle;
+
+  char line[256];
+  snprintf(line,255,"gen_dummy_mcpl.c");
+  mcpl_hdr_set_srcname(outfile,line);
+  mcpl_enable_universal_pdgcode(outfile,2112);/*all particles are neutrons*/
+  snprintf(line,255,"Dummy MCPL-file for testing OpenMC mcpl input");
+  mcpl_hdr_add_comment(outfile,line);
+
+  /*also add the instrument file and the command line as blobs*/
+  FILE *fp;
+  if( (fp=fopen("gen_dummy_mcpl.c","rb"))!=NULL){
+    unsigned char *buffer;
+    int size,status;
+    /*find the file size by seeking to end, "tell" the position, and then go back again*/
+    fseek(fp, 0L, SEEK_END);
+    size = ftell(fp); // get current file pointer
+    fseek(fp, 0L, SEEK_SET); // seek back to beginning of file
+    if ( size && (buffer=malloc(size))!=NULL){
+      if (size!=(fread(buffer,1,size,fp))){
+        fprintf(stderr,"Warning: c source generator file not read cleanly\n");
+      }
+      mcpl_hdr_add_data(outfile, "mcpl_point_source_file_generator", size, buffer);
+      free(buffer);
+    }
+    fclose(fp);
+  } else {
+    fprintf(stderr,"Warning: could not open c source generator file, hence not embedded.\n");
+  }
+
+
+  /*the main particle loop*/
+  particle=&Particle;
+  int i;
+  for (i=0;i<batches*particles; i++){
+    if(i%particles==0){
+      printf("batch number %d\n",i/particles);
+    }
+    /*generate a point source - i.e. x,y,z are 0*/
+    particle->position[0]=0;
+    particle->position[1]=0;
+    particle->position[2]=0;
+    
+    /*generate a random direction on unit sphere*/
+    double nrm=2.0;
+    double vx,vy,vz;
+    int iter=0;
+    do {
+      if(iter>100){
+        printf("warning: exceeed max random vector attempts: at loop %d -> %g   %d\n",i,nrm,iter);
+      }
+      vx=rand01()*2.0-1.0;
+      vy=rand01()*2.0-1.0;
+      vz=rand01()*2.0-1.0;
+      nrm=(vx*vx + vy*vy + vz*vz);
+      iter++;
+    } while (nrm>1.0);
+    vx/=sqrt(nrm);
+    vy/=sqrt(nrm);
+    vz/=sqrt(nrm);
+    particle->direction[0]=vx;
+    particle->direction[1]=vy;
+    particle->direction[2]=vz;
+
+    /*generate the kinetic energy (in MeV) of the particle*/ 
+    particle->ekin=1e-3;
+ 
+    /*set time=0*/
+    particle->time=0;
+    /*set weight*/
+    particle->weight=1;
+
+    particle->userflags=0;
+    mcpl_add_particle(outfile,particle);
+  }
+  mcpl_closeandgzip_outfile(outfile);
+}

From d8902a603e7d66550c7ee4b3d0f782edf7594a12 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Mon, 27 Jun 2022 16:26:01 -0500
Subject: [PATCH 0441/2654] add volume parameter; add attributes to docstring;
 implement _get_all_depletion_nuclides, _get_nuclides_with_data

---
 openmc/deplete/flux_operator.py | 75 ++++++++++++++++++++++++++++++---
 1 file changed, 69 insertions(+), 6 deletions(-)

diff --git a/openmc/deplete/flux_operator.py b/openmc/deplete/flux_operator.py
index e3bc6a5f3..c12cfe084 100644
--- a/openmc/deplete/flux_operator.py
+++ b/openmc/deplete/flux_operator.py
@@ -45,6 +45,8 @@ class FluxSpectraDepletionOperator(TransportOperator):
 
     Parameters
     ----------
+    volume : float
+        Volume of the material being depleted in cm^3
     nuclides : dict of str to float
         Dictionary with nuclides names as keys and concentration as values.
     micro_xs : pandas.DataFrame
@@ -82,9 +84,22 @@ class FluxSpectraDepletionOperator(TransportOperator):
     prev_res : Results or None
         Results from a previous depletion calculation. ``None`` if no
         results are to be used.
+    number : openmc.deplete.AtomNumber
+        Total number of atoms in simulation.
+    nuclides_with_data : set of str
+        A set listing all unique nuclides available from cross_sections.xml.
+    chain : openmc.deplete.Chain
+        The depletion chain information necessary to form matrices and tallies.
+    reaction_rates : openmc.deplete.ReactionRates
+        Reaction rates from the last operator step.
+    heavy_metal : float
+        Initial heavy metal inventory [g]
+    prev_res : Results or None
+        Results from a previous depletion calculation. ``None`` if no
+        results are to be used.
     """
 
-    def __init__(self, nuclides, micro_xs, flux_spectra, chain_file, fission_q=None, dilute_initial=1.0e3,
+    def __init__(self, volume, nuclides, micro_xs, flux_spectra, chain_file, fission_q=None, dilute_initial=1.0e3,
                  prev_results=None, reduce_chain=False, reduce_chain_level=None):
         super.__init__(chain_file, fission_q, dilute_initial, prev_results)
         self.round_number = False
@@ -101,12 +116,13 @@ class FluxSpectraDepletionOperator(TransportOperator):
         check_value('nuclides', nuclides, dict, str)
         check_type('micro_xs', micro_xs, pd.DataFrame)
 
-        # Clear out OpenMC, create task lists, distribute
-        #self.burnable_mats, volume, nuclides = self.get_burnable_mats()
+        self._micro_xs = micro_xs
+
+        nuclides = self._get_all_depletion_nuclides(volume, nuclides)
 
         # TODO: add support for loading previous results
 
-        # TODO : Determine which nuclides have incident neutron data
+        # Determine which nuclides have cross section data
         self.nuclides_with_data = self._get_nuclides_with_data()
 
         # Select nuclides with data that are also in the chain
@@ -115,7 +131,7 @@ class FluxSpectraDepletionOperator(TransportOperator):
 
         # TODO : implement _extract_number
         # Extract number densities from the geometry / previous depletion run
-        self._extract_number('0', volume, list(nuclides.keys()), self.prev_res)
+        self._extract_number('0', volume, nuclides, self.prev_res)
 
         # Create reaction rates array
         self.reaction_rates = ReactionRates(
@@ -194,7 +210,7 @@ class FluxSpectraDepletionOperator(TransportOperator):
         # Store microscopic cross sections in rates array
         for nuc in nuclides:
             for rxn in self.chain.reactions:
-                rates.set('0', nuc, rxn, self.micro_xs[rxn].loc[nuc])
+                rates.set('0', nuc, rxn, self._micro_xs[rxn].loc[nuc])
 
         # Get reaction rate in reactions/sec
         rates *= self.flux_spectra
@@ -331,4 +347,51 @@ class FluxSpectraDepletionOperator(TransportOperator):
         nuc_list = comm.bcast(nuc_list)
         return [nuc for nuc in nuc_list if nuc in self.chain]
 
+    def _get_all_depletion_nuclides(self, volume, nuclides):
+        """Determine nuclides that will show up in simulation
+
+        Parameters
+        ----------
+        volume : float
+            Volume of material in cm^3
+
+        Returns
+        -------
+        nuclides : list of str
+            Nuclides in order of how they'll appear in the simulation.
+
+        """
+
+        model_nuclides = set()
+
+        self.heavy_metal = 0.0
+
+        bu_mat = openmc.Material()
+        bu_mat.volume = volume
+        for n, conc in nuclides:
+            bu_mat.add_nuclides(n,conc)
+            model_nuclides.add(n)
+
+        self.heavy_metal = bu_mat.fissionable_mass
+
+        # Sort the sets
+        model_nuclides = sorted(model_nuclides)
+
+        # Construct a global nuclide dictionary, burned first
+        nuclides = list(self.chain.nuclide_dict)
+        for nuc in model_nuclides:
+            if nuc not in nuclides:
+                nuclides.append(nuc)
+
+        return nuclides
+
+    def _get_nuclides_with_data(self):
+        """Finds nuclides with cross section data"""
+        nuclides = set()
+        for name in self._micro_xs.index:
+            if name not in nuclides:
+                nuclides.add(name)
+
+        return nuclides
+
 

From 13c9fdccf031c11abe809e6a67f993c120e762e1 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Mon, 27 Jun 2022 16:59:04 -0500
Subject: [PATCH 0442/2654] Add comments

---
 openmc/deplete/flux_operator.py | 3 +++
 1 file changed, 3 insertions(+)

diff --git a/openmc/deplete/flux_operator.py b/openmc/deplete/flux_operator.py
index c12cfe084..d1be3f608 100644
--- a/openmc/deplete/flux_operator.py
+++ b/openmc/deplete/flux_operator.py
@@ -170,9 +170,12 @@ class FluxSpectraDepletionOperator(TransportOperator):
 
         # Update the number densities regardless of the source rate
         self.number.set_density(vec)
+        ## TODO : make sure this function works w the current structure.
         self._update_materials()
 
         # Update nuclides data in preparation for transport solve
+
+        ## TODO : make sure this function works w the current structure.
         nuclides = self._get_reaction_nuclides()
         self._yield_helper.update_tally_nuclides(nuclides)
 

From a4f98b489c161ed4b7ac26cca4e945d535ccaba3 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Mon, 23 May 2022 14:20:01 -0500
Subject: [PATCH 0443/2654] Change values in dict returned by
 Material.get_nuclide_atom_densities

---
 openmc/cell.py                              |  8 ++++----
 openmc/deplete/operator.py                  | 15 +++++++--------
 openmc/material.py                          | 20 ++++++++++++--------
 openmc/plotter.py                           | 12 ++++--------
 tests/unit_tests/test_deplete_activation.py |  2 +-
 tests/unit_tests/test_material.py           | 15 +++++++--------
 tests/unit_tests/test_model.py              | 18 ++++++++----------
 7 files changed, 43 insertions(+), 47 deletions(-)

diff --git a/openmc/cell.py b/openmc/cell.py
index 103a34fe6..4b419e1c6 100644
--- a/openmc/cell.py
+++ b/openmc/cell.py
@@ -214,8 +214,8 @@ class Cell(IDManagerMixin):
                 self._atoms = self._fill.get_nuclide_atom_densities()
 
                 # Convert to total number of atoms
-                for key, nuclide in self._atoms.items():
-                    atom = nuclide[1] * self._volume * 1.0e+24
+                for key, atom_per_bcm in self._atoms.items():
+                    atom = atom_per_bcm * self._volume * 1.0e+24
                     self._atoms[key] = atom
 
             elif self.fill_type == 'distribmat':
@@ -224,12 +224,12 @@ class Cell(IDManagerMixin):
                 partial_volume = self.volume / len(self.fill)
                 self._atoms = OrderedDict()
                 for mat in self.fill:
-                    for key, nuclide in mat.get_nuclide_atom_densities().items():
+                    for key, atom_per_bcm in mat.get_nuclide_atom_densities().items():
                         # To account for overlap of nuclides between distribmat
                         # we need to append new atoms to any existing value
                         # hence it is necessary to ask for default.
                         atom = self._atoms.setdefault(key, 0)
-                        atom += nuclide[1] * partial_volume * 1.0e+24
+                        atom += atom_per_bcm * partial_volume * 1.0e+24
                         self._atoms[key] = atom
 
             else:
diff --git a/openmc/deplete/operator.py b/openmc/deplete/operator.py
index 327c762e0..7ef874e87 100644
--- a/openmc/deplete/operator.py
+++ b/openmc/deplete/operator.py
@@ -528,9 +528,9 @@ class Operator(TransportOperator):
         """
         mat_id = str(mat.id)
 
-        for nuclide, density in mat.get_nuclide_atom_densities().values():
-            number = density * 1.0e24
-            self.number.set_atom_density(mat_id, nuclide, number)
+        for nuclide, atom_per_bcm in mat.get_nuclide_atom_densities().items():
+            atom_per_cc = atom_per_bcm * 1.0e24
+            self.number.set_atom_density(mat_id, nuclide, atom_per_cc)
 
     def _set_number_from_results(self, mat, prev_res):
         """Extracts material nuclides and number densities.
@@ -556,16 +556,15 @@ class Operator(TransportOperator):
         # Merge lists of nuclides, with the same order for every calculation
         geom_nuc_densities.update(depl_nuc)
 
-        for nuclide in geom_nuc_densities.keys():
+        for nuclide, atom_per_bcm in geom_nuc_densities.items():
             if nuclide in depl_nuc:
                 concentration = prev_res.get_atoms(mat_id, nuclide)[1][-1]
                 volume = prev_res[-1].volume[mat_id]
-                number = concentration / volume
+                atom_per_cc = concentration / volume
             else:
-                density = geom_nuc_densities[nuclide][1]
-                number = density * 1.0e24
+                atom_per_cc = atom_per_bcm * 1.0e24
 
-            self.number.set_atom_density(mat_id, nuclide, number)
+            self.number.set_atom_density(mat_id, nuclide, atom_per_cc)
 
     def initial_condition(self):
         """Performs final setup and returns initial condition.
diff --git a/openmc/material.py b/openmc/material.py
index 3c2a98ffd..073dab712 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -259,10 +259,10 @@ class Material(IDManagerMixin):
         if self.volume is None:
             raise ValueError("Volume must be set in order to determine mass.")
         density = 0.0
-        for nuc, atoms_per_cc in self.get_nuclide_atom_densities().values():
+        for nuc, atoms_per_bcm in self.get_nuclide_atom_densities().items():
             Z = openmc.data.zam(nuc)[0]
             if Z >= 90:
-                density += 1e24 * atoms_per_cc * openmc.data.atomic_mass(nuc) \
+                density += 1e24 * atoms_per_bcm * openmc.data.atomic_mass(nuc) \
                            / openmc.data.AVOGADRO
         return density*self.volume
 
@@ -786,11 +786,15 @@ class Material(IDManagerMixin):
         """Returns all nuclides in the material and their atomic densities in
         units of atom/b-cm
 
+        .. versionchanged:: 0.13.1
+            The values in the dictionary were changed from a tuple containing
+            the nuclide name and the density to just the density.
+
         Returns
         -------
         nuclides : dict
-            Dictionary whose keys are nuclide names and values are tuples of
-            (nuclide, density in atom/b-cm)
+            Dictionary whose keys are nuclide names and values are densities in
+            [atom/b-cm]
 
         """
 
@@ -850,7 +854,7 @@ class Material(IDManagerMixin):
 
         nuclides = OrderedDict()
         for n, nuc in enumerate(nucs):
-            nuclides[nuc] = (nuc, nuc_densities[n])
+            nuclides[nuc] = nuc_densities[n]
 
         return nuclides
 
@@ -870,9 +874,9 @@ class Material(IDManagerMixin):
 
         """
         mass_density = 0.0
-        for nuc, atoms_per_cc in self.get_nuclide_atom_densities().values():
+        for nuc, atoms_per_bcm in self.get_nuclide_atom_densities().items():
             if nuclide is None or nuclide == nuc:
-                density_i = 1e24 * atoms_per_cc * openmc.data.atomic_mass(nuc) \
+                density_i = 1e24 * atoms_per_bcm * openmc.data.atomic_mass(nuc) \
                             / openmc.data.AVOGADRO
                 mass_density += density_i
         return mass_density
@@ -1092,7 +1096,7 @@ class Material(IDManagerMixin):
         nuclides_per_cc = defaultdict(float)
         mass_per_cc = defaultdict(float)
         for mat, wgt in zip(materials, wgts):
-            for nuc, atoms_per_bcm in mat.get_nuclide_atom_densities().values():
+            for nuc, atoms_per_bcm in mat.get_nuclide_atom_densities().items():
                 nuc_per_cc = wgt*1.e24*atoms_per_bcm
                 nuclides_per_cc[nuc] += nuc_per_cc
                 mass_per_cc[nuc] += nuc_per_cc*openmc.data.atomic_mass(nuc) / \
diff --git a/openmc/plotter.py b/openmc/plotter.py
index 92acaf5bb..16760868e 100644
--- a/openmc/plotter.py
+++ b/openmc/plotter.py
@@ -542,15 +542,11 @@ def _calculate_cexs_elem_mat(this, types, temperature=294.,
 
     if isinstance(this, openmc.Material):
         # Expand elements in to nuclides with atomic densities
-        nuclides = this.get_nuclide_atom_densities()
-        # For ease of processing split out the nuclide and its fraction
-        nuc_fractions = {nuclide[1][0]: nuclide[1][1]
-                         for nuclide in nuclides.items()}
+        nuc_fractions = this.get_nuclide_atom_densities()
         # Create a dict of [nuclide name] = nuclide object to carry forward
         # with a common nuclides format between openmc.Material and
         # openmc.Element objects
-        nuclides = {nuclide[1][0]: nuclide[1][0]
-                    for nuclide in nuclides.items()}
+        nuclides = {nuclide: nuclide for nuclide in nuc_fractions}
     else:
         # Expand elements in to nuclides with atomic densities
         nuclides = this.expand(1., 'ao', enrichment=enrichment,
@@ -885,13 +881,13 @@ def _calculate_mgxs_elem_mat(this, types, library, orders=None,
         # Check to see if we have nuclides/elements or a macroscopic object
         if this._macroscopic is not None:
             # We have macroscopics
-            nuclides = {this._macroscopic: (this._macroscopic, this.density)}
+            nuclides = {this._macroscopic: this.density}
         else:
             # Expand elements in to nuclides with atomic densities
             nuclides = this.get_nuclide_atom_densities()
 
         # For ease of processing split out nuc and nuc_density
-        nuc_fraction = [nuclide[1][1] for nuclide in nuclides.items()]
+        nuc_fraction = list(nuclides.values())
     else:
         T = temperature
         # Expand elements in to nuclides with atomic densities
diff --git a/tests/unit_tests/test_deplete_activation.py b/tests/unit_tests/test_deplete_activation.py
index 0b82a5fbc..cb3b86b9c 100644
--- a/tests/unit_tests/test_deplete_activation.py
+++ b/tests/unit_tests/test_deplete_activation.py
@@ -92,7 +92,7 @@ def test_activation(run_in_tmpdir, model, reaction_rate_mode, reaction_rate_opts
 
     w = model.geometry.get_materials_by_name('tungsten')[0]
     atom_densities = w.get_nuclide_atom_densities()
-    atom_per_cc = 1e24 * atom_densities['W186'][1]  # Density in atom/cm^3
+    atom_per_cc = 1e24 * atom_densities['W186']  # Density in atom/cm^3
     n0 = atom_per_cc * w.volume  # Absolute number of atoms
 
     # Pick a random irradiation time and then determine necessary source rate to
diff --git a/tests/unit_tests/test_material.py b/tests/unit_tests/test_material.py
index c15a4b9e5..374b5a3d8 100644
--- a/tests/unit_tests/test_material.py
+++ b/tests/unit_tests/test_material.py
@@ -100,7 +100,7 @@ def test_add_elements_by_formula():
     m.add_elements_from_formula('Li4SiO4')
     # checking the ratio of elements is 4:1:4 for Li:Si:O
     elem = defaultdict(float)
-    for nuclide, adens in m.get_nuclide_atom_densities().values():
+    for nuclide, adens in m.get_nuclide_atom_densities().items():
         if nuclide.startswith("Li"):
             elem["Li"] += adens
         if nuclide.startswith("Si"):
@@ -117,7 +117,7 @@ def test_add_elements_by_formula():
                 'O16': 0.443386, 'O17': 0.000168}
     nuc_dens = m.get_nuclide_atom_densities()
     for nuclide in ref_dens:
-        assert nuc_dens[nuclide][1] == pytest.approx(ref_dens[nuclide], 1e-2)
+        assert nuc_dens[nuclide] == pytest.approx(ref_dens[nuclide], 1e-2)
 
     # testing the correct nuclides are added to the Material when enriched
     m = openmc.Material()
@@ -129,7 +129,7 @@ def test_add_elements_by_formula():
                 'O16': 0.443386, 'O17': 0.000168}
     nuc_dens = m.get_nuclide_atom_densities()
     for nuclide in ref_dens:
-        assert nuc_dens[nuclide][1] == pytest.approx(ref_dens[nuclide], 1e-2)
+        assert nuc_dens[nuclide] == pytest.approx(ref_dens[nuclide], 1e-2)
 
     # testing the use of brackets
     m = openmc.Material()
@@ -137,7 +137,7 @@ def test_add_elements_by_formula():
 
     # checking the ratio of elements is 2:2:6 for Mg:N:O
     elem = defaultdict(float)
-    for nuclide, adens in m.get_nuclide_atom_densities().values():
+    for nuclide, adens in m.get_nuclide_atom_densities().items():
         if nuclide.startswith("Mg"):
             elem["Mg"] += adens
         if nuclide.startswith("N"):
@@ -155,7 +155,7 @@ def test_add_elements_by_formula():
                 'O16': 0.599772, 'O17': 0.000227}
     nuc_dens = m.get_nuclide_atom_densities()
     for nuclide in ref_dens:
-        assert nuc_dens[nuclide][1] == pytest.approx(ref_dens[nuclide], 1e-2)
+        assert nuc_dens[nuclide] == pytest.approx(ref_dens[nuclide], 1e-2)
 
     # testing non integer multiplier results in a value error
     m = openmc.Material()
@@ -289,8 +289,7 @@ def test_get_nuclide_densities(uo2):
 
 
 def test_get_nuclide_atom_densities(uo2):
-    nucs = uo2.get_nuclide_atom_densities()
-    for nuc, density in nucs.values():
+    for nuc, density in uo2.get_nuclide_atom_densities().items():
         assert nuc in ('U235', 'O16')
         assert density > 0
 
@@ -341,7 +340,7 @@ def test_borated_water():
                 'O16':2.4672e-02}
     nuc_dens = m.get_nuclide_atom_densities()
     for nuclide in ref_dens:
-        assert nuc_dens[nuclide][1] == pytest.approx(ref_dens[nuclide], 1e-2)
+        assert nuc_dens[nuclide] == pytest.approx(ref_dens[nuclide], 1e-2)
     assert m.id == 50
 
     # Test the Celsius conversion.
diff --git a/tests/unit_tests/test_model.py b/tests/unit_tests/test_model.py
index 10417b20e..9b05ed2a5 100644
--- a/tests/unit_tests/test_model.py
+++ b/tests/unit_tests/test_model.py
@@ -391,16 +391,14 @@ def test_py_lib_attributes(run_in_tmpdir, pin_model_attributes, mpi_intracomm):
     assert openmc.lib.materials[1].get_density('atom/b-cm') == \
         pytest.approx(0.06891296988603757, abs=1e-13)
     mat_a_dens = np.sum(
-        [v[1] for v in test_model.materials[0].
-            get_nuclide_atom_densities().values()])
+        list(test_model.materials[0].get_nuclide_atom_densities().values()))
     assert mat_a_dens == pytest.approx(0.06891296988603757, abs=1e-8)
     # Change the density
     test_model.update_densities(['UO2'], 2.)
     assert openmc.lib.materials[1].get_density('atom/b-cm') == \
         pytest.approx(2., abs=1e-13)
     mat_a_dens = np.sum(
-        [v[1] for v in test_model.materials[0].
-            get_nuclide_atom_densities().values()])
+        list(test_model.materials[0].get_nuclide_atom_densities().values()))
     assert mat_a_dens == pytest.approx(2., abs=1e-8)
 
     # Now lets do the cell temperature updates.
@@ -441,7 +439,7 @@ def test_deplete(run_in_tmpdir, pin_model_attributes, mpi_intracomm):
     test_model = openmc.Model(geom, mats, settings, tals, plots)
 
     initial_mat = mats[0].clone()
-    initial_u = initial_mat.get_nuclide_atom_densities()['U235'][1]
+    initial_u = initial_mat.get_nuclide_atom_densities()['U235']
 
     # Note that the chain file includes only U-235 fission to a stable Xe136 w/
     # a yield of 100%. Thus all the U235 we lose becomes Xe136
@@ -453,8 +451,8 @@ def test_deplete(run_in_tmpdir, pin_model_attributes, mpi_intracomm):
                        operator_kwargs=op_kwargs,
                        power=1., output=False)
     # Get the new Xe136 and U235 atom densities
-    after_xe = mats[0].get_nuclide_atom_densities()['Xe136'][1]
-    after_u = mats[0].get_nuclide_atom_densities()['U235'][1]
+    after_xe = mats[0].get_nuclide_atom_densities()['Xe136']
+    after_u = mats[0].get_nuclide_atom_densities()['U235']
     assert after_xe + after_u == pytest.approx(initial_u, abs=1e-15)
     assert test_model.is_initialized is False
 
@@ -462,7 +460,7 @@ def test_deplete(run_in_tmpdir, pin_model_attributes, mpi_intracomm):
     mats[0].nuclides.clear()
     densities = initial_mat.get_nuclide_atom_densities()
     tot_density = 0.
-    for nuc, density in densities.values():
+    for nuc, density in densities.items():
         mats[0].add_nuclide(nuc, density)
         tot_density += density
     mats[0].set_density('atom/b-cm', tot_density)
@@ -473,8 +471,8 @@ def test_deplete(run_in_tmpdir, pin_model_attributes, mpi_intracomm):
                        operator_kwargs=op_kwargs,
                        power=1., output=False)
     # Get the new Xe136 and U235 atom densities
-    after_lib_xe = mats[0].get_nuclide_atom_densities()['Xe136'][1]
-    after_lib_u = mats[0].get_nuclide_atom_densities()['U235'][1]
+    after_lib_xe = mats[0].get_nuclide_atom_densities()['Xe136']
+    after_lib_u = mats[0].get_nuclide_atom_densities()['U235']
     assert after_lib_xe + after_lib_u == pytest.approx(initial_u, abs=1e-15)
     assert test_model.is_initialized is True
 

From 7fcc20472690c49cf2b0508b099dc440b6249dc4 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Mon, 23 May 2022 14:43:34 -0500
Subject: [PATCH 0444/2654] Implement Material.get_nuclide_atoms method

---
 openmc/material.py                | 19 +++++++++++++++++++
 tests/unit_tests/test_material.py | 10 ++++++++++
 2 files changed, 29 insertions(+)

diff --git a/openmc/material.py b/openmc/material.py
index 073dab712..ea42d64b1 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -858,6 +858,25 @@ class Material(IDManagerMixin):
 
         return nuclides
 
+    def get_nuclide_atoms(self):
+        """Return number of atoms of each nuclide in the material
+
+        .. versionadded:: 0.13.1
+
+        Returns
+        -------
+        dict
+            Dictionary whose keys are nuclide names and values are number of
+            atoms present in the material.
+
+        """
+        if self.volume is None:
+            raise ValueError("Volume must be set in order to determine atoms.")
+        atoms = {}
+        for nuclide, atom_per_bcm in self.get_nuclide_atom_densities().items():
+            atoms[nuclide] = 1.0e24 * atom_per_bcm * self.volume
+        return atoms
+
     def get_mass_density(self, nuclide=None):
         """Return mass density of one or all nuclides
 
diff --git a/tests/unit_tests/test_material.py b/tests/unit_tests/test_material.py
index 374b5a3d8..fd0e4f624 100644
--- a/tests/unit_tests/test_material.py
+++ b/tests/unit_tests/test_material.py
@@ -294,6 +294,16 @@ def test_get_nuclide_atom_densities(uo2):
         assert density > 0
 
 
+def test_get_nuclide_atoms():
+    mat = openmc.Material()
+    mat.add_nuclide('Li6', 1.0)
+    mat.set_density('atom/cm3', 3.26e20)
+    mat.volume = 100.0
+
+    atoms = mat.get_nuclide_atoms()
+    assert atoms['Li6'] == pytest.approx(mat.density * mat.volume)
+
+
 def test_mass():
     m = openmc.Material()
     m.add_nuclide('Zr90', 1.0, 'wo')

From 19494cccd022cdf9ee9c0c8e6461bea494d95e69 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 24 May 2022 12:47:36 -0500
Subject: [PATCH 0445/2654] Add check in Decay.decay_constant for erroneous
 half-life

---
 openmc/data/decay.py | 9 ++++-----
 1 file changed, 4 insertions(+), 5 deletions(-)

diff --git a/openmc/data/decay.py b/openmc/data/decay.py
index 5ca2b235a..51a594bc8 100644
--- a/openmc/data/decay.py
+++ b/openmc/data/decay.py
@@ -465,11 +465,10 @@ class Decay(EqualityMixin):
 
     @property
     def decay_constant(self):
-        if hasattr(self.half_life, 'n'):
-            return log(2.)/self.half_life
-        else:
-            mu, sigma = self.half_life
-            return ufloat(log(2.)/mu, log(2.)/mu**2*sigma)
+        if self.half_life.n == 0.0:
+            name = self.nuclide['name']
+            raise ValueError(f"{name} is listed as unstable but has a zero half-life.")
+        return log(2.)/self.half_life
 
     @property
     def decay_energy(self):

From 3c20b1e415e89b1b2b2b8e4953710f0b6851fb62 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 28 Jun 2022 08:00:16 -0500
Subject: [PATCH 0446/2654] Fix use of get_nuclide_atom_densities in
 Material.activity property

---
 openmc/material.py | 5 ++++-
 1 file changed, 4 insertions(+), 1 deletion(-)

diff --git a/openmc/material.py b/openmc/material.py
index ea42d64b1..1341746dc 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -86,6 +86,9 @@ class Material(IDManagerMixin):
     fissionable_mass : float
         Mass of fissionable nuclides in the material in [g]. Requires that the
         :attr:`volume` attribute is set.
+    activity : float
+        Activity of the material in [Bq]. Requires that the :attr:`volume`
+        attribute is set.
 
     """
 
@@ -152,7 +155,7 @@ class Material(IDManagerMixin):
         for key, value in atoms_per_barn_cm.items():
             half_life = openmc.data.half_life(key)
             if half_life:
-                total_activity += value[1] / half_life
+                total_activity += value / half_life
         total_activity *= math.log(2) * 1e24 * self.volume
 
         return total_activity

From fc615451d04c358d0f32bb72837fc52992fb39b0 Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Tue, 28 Jun 2022 15:54:49 +0200
Subject: [PATCH 0447/2654] added method to Tally

---
 openmc/tallies.py | 86 +++++++++++++++++++++++++++++++++++++++++++++++
 1 file changed, 86 insertions(+)

diff --git a/openmc/tallies.py b/openmc/tallies.py
index d0355f14e..f559c392c 100644
--- a/openmc/tallies.py
+++ b/openmc/tallies.py
@@ -8,6 +8,8 @@ from pathlib import Path
 from xml.etree import ElementTree as ET
 
 import h5py
+import vtk
+import vtk.util.numpy_support as nps
 import numpy as np
 import pandas as pd
 import scipy.sparse as sps
@@ -457,6 +459,54 @@ class Tally(IDManagerMixin):
                 self._std_dev = np.reshape(self._std_dev.toarray(), self.shape)
             self._sparse = False
 
+    def write_to_vtk(self, filename):
+        mesh = None
+        for f in self.filters:
+            if isinstance(f, openmc.MeshFilter):
+                if isinstance(f.mesh, (openmc.RegularMesh, openmc.CylindricalMesh)):
+                    mesh = f.mesh
+                    break
+
+        if not mesh:
+            raise ValueError(
+                "write_to_vtk only works with openmc.RegularMesh, openmc.CylindricalMesh"
+            )
+
+        if isinstance(mesh, openmc.RegularMesh):
+            vtk_grid = voxels_to_vtk(
+                x_vals=np.linspace(
+                    mesh.lower_left[0],
+                    mesh.upper_right[0],
+                    num=mesh.dimension[0] + 1,
+                ),
+                y_vals=np.linspace(
+                    mesh.lower_left[1],
+                    mesh.upper_right[1],
+                    num=mesh.dimension[1] + 1,
+                ),
+                z_vals=np.linspace(
+                    mesh.lower_left[2],
+                    mesh.upper_right[2],
+                    num=mesh.dimension[2] + 1,
+                ),
+                mean=self.mean,
+                std_dev=self.std_dev,
+                cylindrical=False,
+            )
+        elif isinstance(mesh, openmc.CylindricalMesh):
+            vtk_grid = voxels_to_vtk(
+                x_vals=mesh.r_grid,
+                y_vals=mesh.phi_grid,
+                z_vals=mesh.z_grid,
+                mean=self.mean,
+                std_dev=self.std_dev,
+                cylindrical=True,
+            )
+        writer = vtk.vtkStructuredGridWriter()
+        writer.SetFileName(filename)
+        writer.SetInputData(vtk_grid)
+        writer.Write()
+
     def remove_score(self, score):
         """Remove a score from the tally
 
@@ -3229,3 +3279,39 @@ class Tallies(cv.CheckedList):
             tallies.append(tally)
 
         return cls(tallies)
+
+
+def voxels_to_vtk(x_vals, y_vals, z_vals, mean, std_dev, cylindrical=True):
+    vtk_box = vtk.vtkStructuredGrid()
+
+    vtk_box.SetDimensions(len(x_vals), len(y_vals), len(z_vals))
+
+    # points
+    points = np.array([[x, y, z] for z in z_vals for y in y_vals for x in x_vals])
+    if cylindrical:
+        points_cartesian = np.copy(points)
+        r = points[:, 0]
+        phi = points[:, 1]
+        z = points[:, 2]
+        points_cartesian[:, 0] = r * np.cos(phi)
+        points_cartesian[:, 1] = r * np.sin(phi)
+        points_cartesian[:, 2] = z
+
+    vtkPts = vtk.vtkPoints()
+    vtkPts.SetData(nps.numpy_to_vtk(points, deep=True))
+
+    vtk_box.SetPoints(vtkPts)
+
+    # # data
+    mean_array = vtk.vtkDoubleArray()
+    mean_array.SetName("mean")
+    mean_array.SetArray(mean, mean.size, True)
+
+    std_dev_array = vtk.vtkDoubleArray()
+    std_dev_array.SetName("std_dev")
+    std_dev_array.SetArray(std_dev, std_dev.size, True)
+
+    vtk_box.GetCellData().AddArray(mean_array)
+    vtk_box.GetCellData().AddArray(std_dev_array)
+
+    return vtk_box

From e870ab2040e6d2a9894eb99e413a5174f83ae546 Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Tue, 28 Jun 2022 16:00:54 +0200
Subject: [PATCH 0448/2654] added RectilinearMesh

---
 openmc/tallies.py | 13 +++++++++++--
 1 file changed, 11 insertions(+), 2 deletions(-)

diff --git a/openmc/tallies.py b/openmc/tallies.py
index f559c392c..20e6e3996 100644
--- a/openmc/tallies.py
+++ b/openmc/tallies.py
@@ -463,13 +463,13 @@ class Tally(IDManagerMixin):
         mesh = None
         for f in self.filters:
             if isinstance(f, openmc.MeshFilter):
-                if isinstance(f.mesh, (openmc.RegularMesh, openmc.CylindricalMesh)):
+                if isinstance(f.mesh, (openmc.RegularMesh, openmc.RectilinearMesh, openmc.CylindricalMesh)):
                     mesh = f.mesh
                     break
 
         if not mesh:
             raise ValueError(
-                "write_to_vtk only works with openmc.RegularMesh, openmc.CylindricalMesh"
+                "write_to_vtk only works with openmc.RegularMesh, openmc.RectilinearMesh, openmc.CylindricalMesh"
             )
 
         if isinstance(mesh, openmc.RegularMesh):
@@ -493,6 +493,15 @@ class Tally(IDManagerMixin):
                 std_dev=self.std_dev,
                 cylindrical=False,
             )
+        if isinstance(mesh, openmc.RectilinearMesh):
+            vtk_grid = voxels_to_vtk(
+                x_vals=mesh.x_grid,
+                y_vals=mesh.y_grid,
+                z_vals=mesh.z_grid,
+                mean=self.mean,
+                std_dev=self.std_dev,
+                cylindrical=False,
+            )
         elif isinstance(mesh, openmc.CylindricalMesh):
             vtk_grid = voxels_to_vtk(
                 x_vals=mesh.r_grid,

From 06c5d3ec584c9ef9a62b08c561945b34e2e6b4e9 Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Tue, 28 Jun 2022 16:04:33 +0200
Subject: [PATCH 0449/2654] added comments

---
 openmc/tallies.py | 27 +++++++++++++--------------
 1 file changed, 13 insertions(+), 14 deletions(-)

diff --git a/openmc/tallies.py b/openmc/tallies.py
index 20e6e3996..6797253e1 100644
--- a/openmc/tallies.py
+++ b/openmc/tallies.py
@@ -460,6 +460,7 @@ class Tally(IDManagerMixin):
             self._sparse = False
 
     def write_to_vtk(self, filename):
+        # check that tally has a MeshFilter
         mesh = None
         for f in self.filters:
             if isinstance(f, openmc.MeshFilter):
@@ -511,6 +512,8 @@ class Tally(IDManagerMixin):
                 std_dev=self.std_dev,
                 cylindrical=True,
             )
+        
+        # write the .vtk file
         writer = vtk.vtkStructuredGridWriter()
         writer.SetFileName(filename)
         writer.SetInputData(vtk_grid)
@@ -3291,36 +3294,32 @@ class Tallies(cv.CheckedList):
 
 
 def voxels_to_vtk(x_vals, y_vals, z_vals, mean, std_dev, cylindrical=True):
-    vtk_box = vtk.vtkStructuredGrid()
+    vtk_grid = vtk.vtkStructuredGrid()
 
-    vtk_box.SetDimensions(len(x_vals), len(y_vals), len(z_vals))
+    vtk_grid.SetDimensions(len(x_vals), len(y_vals), len(z_vals))
 
-    # points
+    # create points
     points = np.array([[x, y, z] for z in z_vals for y in y_vals for x in x_vals])
-    if cylindrical:
+    if cylindrical:  # transform points to cartesian coordinates
         points_cartesian = np.copy(points)
-        r = points[:, 0]
-        phi = points[:, 1]
-        z = points[:, 2]
+        r, phi, z = points[:, 0], points[:, 1], points[:, 2]
         points_cartesian[:, 0] = r * np.cos(phi)
         points_cartesian[:, 1] = r * np.sin(phi)
         points_cartesian[:, 2] = z
 
     vtkPts = vtk.vtkPoints()
     vtkPts.SetData(nps.numpy_to_vtk(points, deep=True))
+    vtk_grid.SetPoints(vtkPts)
 
-    vtk_box.SetPoints(vtkPts)
-
-    # # data
+    # add mean and std dev data
     mean_array = vtk.vtkDoubleArray()
     mean_array.SetName("mean")
     mean_array.SetArray(mean, mean.size, True)
+    vtk_grid.GetCellData().AddArray(mean_array)
 
     std_dev_array = vtk.vtkDoubleArray()
     std_dev_array.SetName("std_dev")
     std_dev_array.SetArray(std_dev, std_dev.size, True)
+    vtk_grid.GetCellData().AddArray(std_dev_array)
 
-    vtk_box.GetCellData().AddArray(mean_array)
-    vtk_box.GetCellData().AddArray(std_dev_array)
-
-    return vtk_box
+    return vtk_grid

From 30b06fa2910a51ac04a249170bff27d54cb3f26a Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Tue, 28 Jun 2022 16:08:36 +0200
Subject: [PATCH 0450/2654] docstrings

---
 openmc/tallies.py | 25 ++++++++++++++++++++++++-
 1 file changed, 24 insertions(+), 1 deletion(-)

diff --git a/openmc/tallies.py b/openmc/tallies.py
index 6797253e1..77f0b8cd3 100644
--- a/openmc/tallies.py
+++ b/openmc/tallies.py
@@ -460,6 +460,15 @@ class Tally(IDManagerMixin):
             self._sparse = False
 
     def write_to_vtk(self, filename):
+        """Writes the tally to a vtk file
+
+        Args:
+            filename (str): the filename (must end with .vtk)
+
+        Raises:
+            ValueError: if no MeshFilter with appropriate mesh was found 
+                (SphericalMesh not supported)
+        """
         # check that tally has a MeshFilter
         mesh = None
         for f in self.filters:
@@ -512,7 +521,7 @@ class Tally(IDManagerMixin):
                 std_dev=self.std_dev,
                 cylindrical=True,
             )
-        
+
         # write the .vtk file
         writer = vtk.vtkStructuredGridWriter()
         writer.SetFileName(filename)
@@ -3294,6 +3303,20 @@ class Tallies(cv.CheckedList):
 
 
 def voxels_to_vtk(x_vals, y_vals, z_vals, mean, std_dev, cylindrical=True):
+    """Creates a vtk object from a list of X, Y, Z values and mean/std_dev data.
+
+    Args:
+        x_vals (list): X values.
+        y_vals (list): Y values.
+        z_vals (list): Z values.
+        mean (np.array): the tally mean.
+        std_dev (np.array): the tally standard deviation.
+        cylindrical (bool, optional): If set to True, cylindrical coordinates
+            (r, phi, z) are assumed. Defaults to True.
+
+    Returns:
+        vtkStructuredGrid: a vtk object containing tally data on the appropriate grid
+    """
     vtk_grid = vtk.vtkStructuredGrid()
 
     vtk_grid.SetDimensions(len(x_vals), len(y_vals), len(z_vals))

From 06c6bcd7d269aa3b3317c8d64f9cf4318170468c Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Tue, 28 Jun 2022 16:09:32 +0200
Subject: [PATCH 0451/2654] added TODO

---
 openmc/tallies.py | 3 +++
 1 file changed, 3 insertions(+)

diff --git a/openmc/tallies.py b/openmc/tallies.py
index 77f0b8cd3..c0f410524 100644
--- a/openmc/tallies.py
+++ b/openmc/tallies.py
@@ -3317,6 +3317,9 @@ def voxels_to_vtk(x_vals, y_vals, z_vals, mean, std_dev, cylindrical=True):
     Returns:
         vtkStructuredGrid: a vtk object containing tally data on the appropriate grid
     """
+
+    # TODO: should this be a method of Tally?
+
     vtk_grid = vtk.vtkStructuredGrid()
 
     vtk_grid.SetDimensions(len(x_vals), len(y_vals), len(z_vals))

From 877a62c0af072e14c3b62991f21a6648352dc8bb Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Tue, 28 Jun 2022 16:43:42 +0200
Subject: [PATCH 0452/2654] fixed cylindrical

---
 openmc/tallies.py | 1 +
 1 file changed, 1 insertion(+)

diff --git a/openmc/tallies.py b/openmc/tallies.py
index c0f410524..2e31e8ee2 100644
--- a/openmc/tallies.py
+++ b/openmc/tallies.py
@@ -3332,6 +3332,7 @@ def voxels_to_vtk(x_vals, y_vals, z_vals, mean, std_dev, cylindrical=True):
         points_cartesian[:, 0] = r * np.cos(phi)
         points_cartesian[:, 1] = r * np.sin(phi)
         points_cartesian[:, 2] = z
+        points = points_cartesian
 
     vtkPts = vtk.vtkPoints()
     vtkPts.SetData(nps.numpy_to_vtk(points, deep=True))

From 1eb8670f2b93cbbb42912dd7903c1d1ae18b1d33 Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Tue, 28 Jun 2022 16:46:10 +0200
Subject: [PATCH 0453/2654] mean and std_dev are np.zeros if None (for testing
 without running a sim)

---
 openmc/tallies.py | 12 ++++++++++++
 1 file changed, 12 insertions(+)

diff --git a/openmc/tallies.py b/openmc/tallies.py
index 2e31e8ee2..75c7ea8f3 100644
--- a/openmc/tallies.py
+++ b/openmc/tallies.py
@@ -3341,11 +3341,23 @@ def voxels_to_vtk(x_vals, y_vals, z_vals, mean, std_dev, cylindrical=True):
     # add mean and std dev data
     mean_array = vtk.vtkDoubleArray()
     mean_array.SetName("mean")
+    if mean is None:
+        mean = np.zeros(
+            (len(x_vals) - 1)
+            * (len(y_vals) - 1)
+            * (len(z_vals) - 1)
+        )
     mean_array.SetArray(mean, mean.size, True)
     vtk_grid.GetCellData().AddArray(mean_array)
 
     std_dev_array = vtk.vtkDoubleArray()
     std_dev_array.SetName("std_dev")
+    if std_dev is None:
+        std_dev = np.zeros(
+            (len(x_vals) - 1)
+            * (len(y_vals) - 1)
+            * (len(z_vals) - 1)
+        )
     std_dev_array.SetArray(std_dev, std_dev.size, True)
     vtk_grid.GetCellData().AddArray(std_dev_array)
 

From 3d0b404b7a99388296dda50d087d267bf3c6f917 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Tue, 28 Jun 2022 16:06:17 +0100
Subject: [PATCH 0454/2654] added multi stages option

---
 Dockerfile | 6 +++++-
 1 file changed, 5 insertions(+), 1 deletion(-)

diff --git a/Dockerfile b/Dockerfile
index 755d9f2a0..152590161 100644
--- a/Dockerfile
+++ b/Dockerfile
@@ -15,7 +15,7 @@
 
 # sudo docker run image_name:tag_name or ID with no tag sudo docker run ID number
 
-FROM debian:bullseye-slim
+FROM debian:bullseye-slim AS dependencies
 
 # By default this Dockerfile builds OpenMC without DAGMC and LIBMESH support
 ARG build_dagmc=off
@@ -172,6 +172,8 @@ RUN if [ "$build_libmesh" = "on" ]; then \
         && rm -rf ${LIBMESH_INSTALL_DIR}/build ${LIBMESH_INSTALL_DIR}/libmesh ; \
     fi
 
+FROM dependencies as build
+
 # clone and install openmc
 RUN mkdir -p ${HOME}/OpenMC && cd ${HOME}/OpenMC \
     && git clone --shallow-submodules --recurse-submodules --single-branch -b ${openmc_branch} --depth=1 ${OPENMC_REPO} \
@@ -207,5 +209,7 @@ RUN mkdir -p ${HOME}/OpenMC && cd ${HOME}/OpenMC \
     && cd ../openmc && pip install .[test,depletion-mpi] \
     && python -c "import openmc"
 
+FROM build as release
+
 # Download cross sections (NNDC and WMP) and ENDF data needed by test suite
 RUN ${HOME}/OpenMC/openmc/tools/ci/download-xs.sh

From 419351bb260f837386bcd5c6e798405638820e17 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Tue, 28 Jun 2022 16:14:52 +0100
Subject: [PATCH 0455/2654] uppercase AS

---
 Dockerfile | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/Dockerfile b/Dockerfile
index 152590161..341390c9a 100644
--- a/Dockerfile
+++ b/Dockerfile
@@ -172,7 +172,7 @@ RUN if [ "$build_libmesh" = "on" ]; then \
         && rm -rf ${LIBMESH_INSTALL_DIR}/build ${LIBMESH_INSTALL_DIR}/libmesh ; \
     fi
 
-FROM dependencies as build
+FROM dependencies AS build
 
 # clone and install openmc
 RUN mkdir -p ${HOME}/OpenMC && cd ${HOME}/OpenMC \
@@ -209,7 +209,7 @@ RUN mkdir -p ${HOME}/OpenMC && cd ${HOME}/OpenMC \
     && cd ../openmc && pip install .[test,depletion-mpi] \
     && python -c "import openmc"
 
-FROM build as release
+FROM build AS release
 
 # Download cross sections (NNDC and WMP) and ENDF data needed by test suite
 RUN ${HOME}/OpenMC/openmc/tools/ci/download-xs.sh

From 782d987fc836494166ffb66ab9e9f81888666582 Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?R=C3=A9mi=20Delaporte-Mathurin?=
 <40028739+RemDelaporteMathurin@users.noreply.github.com>
Date: Tue, 28 Jun 2022 20:18:52 +0200
Subject: [PATCH 0456/2654] Optional vtk import

Co-authored-by: Jonathan Shimwell <drshimwell@gmail.com>
---
 openmc/tallies.py | 8 ++++++--
 1 file changed, 6 insertions(+), 2 deletions(-)

diff --git a/openmc/tallies.py b/openmc/tallies.py
index 75c7ea8f3..b795fc83a 100644
--- a/openmc/tallies.py
+++ b/openmc/tallies.py
@@ -8,8 +8,6 @@ from pathlib import Path
 from xml.etree import ElementTree as ET
 
 import h5py
-import vtk
-import vtk.util.numpy_support as nps
 import numpy as np
 import pandas as pd
 import scipy.sparse as sps
@@ -470,6 +468,12 @@ class Tally(IDManagerMixin):
                 (SphericalMesh not supported)
         """
         # check that tally has a MeshFilter
+        try:
+            import vtk
+            import vtk.util.numpy_support as nps
+        except ImportError:
+            msg = 'Python package vtk was not found, please install vtk to use Tally.write_to_vtk.'
+            raise ImportError(msg)
         mesh = None
         for f in self.filters:
             if isinstance(f, openmc.MeshFilter):

From a0f8b9937d85bae835f8a1e2d3a379d650e4585c Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Tue, 28 Jun 2022 14:37:42 -0500
Subject: [PATCH 0457/2654] add keff handling; add comments from review with
 paul; add density to rxn rate calculation to get right units

---
 openmc/deplete/flux_operator.py | 98 ++++++++++++++++++++++++---------
 1 file changed, 73 insertions(+), 25 deletions(-)

diff --git a/openmc/deplete/flux_operator.py b/openmc/deplete/flux_operator.py
index d1be3f608..cd06894f6 100644
--- a/openmc/deplete/flux_operator.py
+++ b/openmc/deplete/flux_operator.py
@@ -33,10 +33,8 @@ from .helpers import (
 
 
 class FluxSpectraDepletionOperator(TransportOperator):
-    """Depletion operator that uses a user provided flux spectrum to
-    calculate reaction rates. The flux provided must match the type of cross
-    section library in use (contunuous flux for continuous energy library,
-    multi-group flux for multi-group library)
+    """Depletion operator that uses a user provided flux spectrum and one-group
+    cross sections calculate reaction rates.
 
     Instances of this class can be used to perform depletion using one group
     cross sections and constant flux. Normally, a user needn't call methods of
@@ -49,6 +47,7 @@ class FluxSpectraDepletionOperator(TransportOperator):
         Volume of the material being depleted in cm^3
     nuclides : dict of str to float
         Dictionary with nuclides names as keys and concentration as values.
+        Nuclide concentration is assumed to be in [units?]
     micro_xs : pandas.DataFrame
         DataFrame with nuclides names as index and microscopic cross section
         data in the columns.
@@ -56,6 +55,9 @@ class FluxSpectraDepletionOperator(TransportOperator):
         Flux spectrum [n cm^-2 s^-1]
     chain_file : str
         Path to the depletion chain XML file.
+    keff : 2-tuple of float, optional
+       keff eigenvalue and uncertainty from transport calculation.
+       Defualt is None.
     fission_q : dict, optional
         Dictionary of nuclides and their fission Q values [eV]. If not given,
         values will be pulled from the ``chain_file``.
@@ -99,7 +101,7 @@ class FluxSpectraDepletionOperator(TransportOperator):
         results are to be used.
     """
 
-    def __init__(self, volume, nuclides, micro_xs, flux_spectra, chain_file, fission_q=None, dilute_initial=1.0e3,
+    def __init__(self, volume, nuclides, micro_xs, flux_spectra, chain_file, keff=None, fission_q=None, dilute_initial=1.0e3,
                  prev_results=None, reduce_chain=False, reduce_chain_level=None):
         super.__init__(chain_file, fission_q, dilute_initial, prev_results)
         self.round_number = False
@@ -117,6 +119,7 @@ class FluxSpectraDepletionOperator(TransportOperator):
         check_type('micro_xs', micro_xs, pd.DataFrame)
 
         self._micro_xs = micro_xs
+        self._keff = keff
 
         nuclides = self._get_all_depletion_nuclides(volume, nuclides)
 
@@ -131,18 +134,13 @@ class FluxSpectraDepletionOperator(TransportOperator):
 
         # TODO : implement _extract_number
         # Extract number densities from the geometry / previous depletion run
+        #!!! consider removing this and just using the nuclides dict...
         self._extract_number('0', volume, nuclides, self.prev_res)
 
         # Create reaction rates array
         self.reaction_rates = ReactionRates(
             '0', self._burnable_nucs, self.chain.reactions)
 
-        # Initialize normalization helper
-        #if normalization_mode == "fission-q":
-        #    self._normalization_helper = ChainFissionHelper()
-        #else:
-        #    self._normalization_helper = SourceRateHelper()
-
         # Select and create fission yield helper
         fission_helper = ConstantFissionYieldHelper
         fission_yield_opts = (
@@ -169,6 +167,7 @@ class FluxSpectraDepletionOperator(TransportOperator):
         """
 
         # Update the number densities regardless of the source rate
+        #!!! See previous excamation point comment
         self.number.set_density(vec)
         ## TODO : make sure this function works w the current structure.
         self._update_materials()
@@ -176,24 +175,18 @@ class FluxSpectraDepletionOperator(TransportOperator):
         # Update nuclides data in preparation for transport solve
 
         ## TODO : make sure this function works w the current structure.
+        # this nuclides varibale is all the nuclides that will show up via depletion
+        # that have xs data
         nuclides = self._get_reaction_nuclides()
         self._yield_helper.update_tally_nuclides(nuclides)
 
         rates = self.reaction_rates
         rates.fill(0.0)
 
-        # Get k and uncertainty
-        # TODO : add functionality to get this from the transport solver
-        keff = ...
-
         # Form fast map
         nuc_ind = [rates.index_nuc[nuc] for nuc in nuclides]
         react_ind = [rates.index_rx[react] for react in self.chain.reactions]
 
-        # Keep track of energy produced from all reactions in eV per source
-        # particle
-        self._normalization_helper.reset()
-
         # Store fission yield dictionaries
         fission_yields = []
 
@@ -210,10 +203,11 @@ class FluxSpectraDepletionOperator(TransportOperator):
         for nuc, i_nuc_results in zip(nuclides, nuc_ind):
             number[i_nuc_results] = self.number[0, nuc]
 
-        # Store microscopic cross sections in rates array
+        # Calculate macroscopic cross sections and store them in rates array
         for nuc in nuclides:
+            density = number.get_atom_density('0', nuc)
             for rxn in self.chain.reactions:
-                rates.set('0', nuc, rxn, self._micro_xs[rxn].loc[nuc])
+                rates.set('0', nuc, rxn, self._micro_xs[rxn].loc[nuc] * density)
 
         # Get reaction rate in reactions/sec
         rates *= self.flux_spectra
@@ -225,10 +219,15 @@ class FluxSpectraDepletionOperator(TransportOperator):
         #if fission_ind is not None:
         #    self._normalization_helper.update(rxn_rates[:, fission_ind])
 
-        ## These don't seem relevant so I'm commenting them out for now
-        ## will delete if they are indeed not useful
         # Divide by total number and store
-        #rates[0] = self._rate_helper.divide_by_adens(number)
+        # the reason we do this is bc in the equation, we multiply the depletion matrix
+        # by the nuclide vector. Since what we want is the depletion matrix, we need to
+        # divide the reaction rates by the number of atoms to get the right units.
+        mask = nonzero(number)
+        results = rates[0]
+        for col in range(results.shape[1]):
+            results[mask, col] /= number[mask]
+        rates[0] = results
 
         # Scale reaction rates to obtain units of reactions/sec
         #rates *= self._normalization_helper.factor(source_rate)
@@ -237,7 +236,7 @@ class FluxSpectraDepletionOperator(TransportOperator):
         # Store new fission yields on the chain
         self.chain.fission_yields = fission_yields
 
-        return OperatorResult(keff, rates)
+        return OperatorResult(self._keff, rates)
 
 
     def initial_condition(self):
@@ -397,4 +396,53 @@ class FluxSpectraDepletionOperator(TransportOperator):
 
         return nuclides
 
+    def _extract_number(self, local_mats, volume, nuclides, prev_res=None):
+        """Construct AtomNumber using geometry
+
+        Parameters
+        ----------
+        local_mats : list of str
+            Material IDs to be managed by this process
+        volume : OrderedDict of str to float
+            Volumes for the above materials in [cm^3]
+        nuclides : list of str
+            Nuclides to be used in the simulation.
+        prev_res : Results, optional
+            Results from a previous depletion calculation
+
+        """
+        self.number = AtomNumber(local_mats, nuclides, volume, len(self.chain))
+
+        if self.dilute_initial != 0.0:
+            for nuc in self._burnable_nucs:
+                self.number.set_atom_density(np.s_[:], nuc, self.dilute_initial)
+
+        # Now extract and store the number densities
+        # From the geometry if no previous depletion results
+        if prev_res is None:
+            for mat in self.materials:
+                if str(mat.id) in local_mats:
+                    self._set_number_from_mat(mat)
+
+        # Else from previous depletion results
+        else:
+            for mat in self.materials:
+                if str(mat.id) in local_mats:
+                    self._set_number_from_results(mat, prev_res)
+
+    def _set_number_from_mat(self, mat):
+        """Extracts material and number densities from openmc.Material
+
+        Parameters
+        ----------
+        mat : openmc.Material
+            The material to read from
+
+        """
+        mat_id = str(mat.id)
+
+        for nuclide, density in mat.get_nuclide_atom_densities().values():
+            number = density * 1.0e24
+            self.number.set_atom_density(mat_id, nuclide, number)
+
 

From 760ef42ce174ff421fafc85d2bdfa000d69bd2f1 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Tue, 28 Jun 2022 16:02:06 -0500
Subject: [PATCH 0458/2654] consistency and bug fixes

- import check_type instead of check_value
- remove unused classed from .helpers import statement
- add unit spec to nuclides parameter
- remove volume parameter from _get_all_depletion_nuclides
- fix input sytax for ReactionRate object
- add get_results_info function (to be implemented)
- impement _extract_number function
---
 openmc/deplete/flux_operator.py | 88 ++++++++++++++++-----------------
 1 file changed, 43 insertions(+), 45 deletions(-)

diff --git a/openmc/deplete/flux_operator.py b/openmc/deplete/flux_operator.py
index cd06894f6..84248c6fb 100644
--- a/openmc/deplete/flux_operator.py
+++ b/openmc/deplete/flux_operator.py
@@ -16,7 +16,7 @@ import pandas as pd
 from uncertainties import ufloat
 
 import openmc
-from openmc.checkvalue import check_value
+from openmc.checkvalue import check_type
 from openmc.data import DataLibrary
 from openmc.exceptions import DataError
 from openmc.mpi import comm
@@ -25,9 +25,7 @@ from .atom_number import AtomNumber
 from .chain import _find_chain_file
 from .reaction_rates import ReactionRates
 from .results import Results
-from .helpers import (
-    FluxReactionRateHelper, ChainFissionHelper, SourceRateHelper,
-    ConstantFissionYieldHelper)
+from .helpers import ConstantFissionYieldHelper
 
 
 
@@ -47,7 +45,7 @@ class FluxSpectraDepletionOperator(TransportOperator):
         Volume of the material being depleted in cm^3
     nuclides : dict of str to float
         Dictionary with nuclides names as keys and concentration as values.
-        Nuclide concentration is assumed to be in [units?]
+        Nuclide concentration is assumed to be in [at/cm^3]
     micro_xs : pandas.DataFrame
         DataFrame with nuclides names as index and microscopic cross section
         data in the columns.
@@ -102,10 +100,11 @@ class FluxSpectraDepletionOperator(TransportOperator):
     """
 
     def __init__(self, volume, nuclides, micro_xs, flux_spectra, chain_file, keff=None, fission_q=None, dilute_initial=1.0e3,
-                 prev_results=None, reduce_chain=False, reduce_chain_level=None):
-        super.__init__(chain_file, fission_q, dilute_initial, prev_results)
+                 prev_results=None, reduce_chain=False, reduce_chain_level=None, fission_yield_opts=None):
+        super().__init__(chain_file, fission_q, dilute_initial, prev_results)
         self.round_number = False
         self.flux_spectra = flux_spectra
+        self._init_nuclides = nuclides
 
         # Reduce the chain
         if reduce_chain:
@@ -115,13 +114,13 @@ class FluxSpectraDepletionOperator(TransportOperator):
             self.chain = self.chain.reduce(all_nuclides, reduce_chain_level)
 
         # Validate nuclides and micro-xs parameters
-        check_value('nuclides', nuclides, dict, str)
+        check_type('nuclides', nuclides, dict, str)
         check_type('micro_xs', micro_xs, pd.DataFrame)
 
         self._micro_xs = micro_xs
         self._keff = keff
 
-        nuclides = self._get_all_depletion_nuclides(volume, nuclides)
+        nuclides = self._get_all_depletion_nuclides(nuclides)
 
         # TODO: add support for loading previous results
 
@@ -135,11 +134,11 @@ class FluxSpectraDepletionOperator(TransportOperator):
         # TODO : implement _extract_number
         # Extract number densities from the geometry / previous depletion run
         #!!! consider removing this and just using the nuclides dict...
-        self._extract_number('0', volume, nuclides, self.prev_res)
+        self._extract_number(['0'], {'0': volume}, nuclides, self.prev_res)
 
         # Create reaction rates array
         self.reaction_rates = ReactionRates(
-            '0', self._burnable_nucs, self.chain.reactions)
+            ['0'], self._burnable_nucs, self.chain.reactions)
 
         # Select and create fission yield helper
         fission_helper = ConstantFissionYieldHelper
@@ -269,6 +268,23 @@ class FluxSpectraDepletionOperator(TransportOperator):
         """
         ...
 
+    def get_results_info(self):
+        """Returns volume list, cell lists, and nuc lists.
+
+        Returns
+        -------
+        volume : dict of str to float
+            Volumes corresponding to materials in burn_list
+        nuc_list : list of str
+            A list of all nuclide names. Used for sorting the simulation.
+        burn_list : list of int
+            A list of all cell IDs to be burned.  Used for sorting the
+            simulation.
+        full_burn_list : list of int
+            All burnable materials in the geometry.
+        """
+
+
 
     def _update_materials(self):
         """Updates material compositions in OpenMC on all processes."""
@@ -349,13 +365,14 @@ class FluxSpectraDepletionOperator(TransportOperator):
         nuc_list = comm.bcast(nuc_list)
         return [nuc for nuc in nuc_list if nuc in self.chain]
 
-    def _get_all_depletion_nuclides(self, volume, nuclides):
+    def _get_all_depletion_nuclides(self, nuclides):
         """Determine nuclides that will show up in simulation
 
         Parameters
         ----------
-        volume : float
-            Volume of material in cm^3
+        nuclides : dict
+            dict whose keys are nuclide symbols as strings,
+            and whose values are nuclide concentrations in at/cm^3
 
         Returns
         -------
@@ -366,15 +383,14 @@ class FluxSpectraDepletionOperator(TransportOperator):
 
         model_nuclides = set()
 
-        self.heavy_metal = 0.0
+        #self.heavy_metal = 0.0
 
-        bu_mat = openmc.Material()
-        bu_mat.volume = volume
-        for n, conc in nuclides:
-            bu_mat.add_nuclides(n,conc)
+        #bu_mat = openmc.Material()
+        #bu_mat.volume = volume
+        for n in nuclides:
             model_nuclides.add(n)
 
-        self.heavy_metal = bu_mat.fissionable_mass
+        #self.heavy_metal = bu_mat.fissionable_mass
 
         # Sort the sets
         model_nuclides = sorted(model_nuclides)
@@ -391,8 +407,7 @@ class FluxSpectraDepletionOperator(TransportOperator):
         """Finds nuclides with cross section data"""
         nuclides = set()
         for name in self._micro_xs.index:
-            if name not in nuclides:
-                nuclides.add(name)
+            nuclides.add(name)
 
         return nuclides
 
@@ -420,29 +435,12 @@ class FluxSpectraDepletionOperator(TransportOperator):
         # Now extract and store the number densities
         # From the geometry if no previous depletion results
         if prev_res is None:
-            for mat in self.materials:
-                if str(mat.id) in local_mats:
-                    self._set_number_from_mat(mat)
+            for nuclide in nuclides:
+                if nuclide in self._init_nuclides:
+                    self.number.set_atom_density('0', nuclide, self._init_nuclides[nuclide])
+                elif nuclide not in self._burnable_nucs:
+                    self.number.set_atom_density('0', nuclide, 0)
 
         # Else from previous depletion results
         else:
-            for mat in self.materials:
-                if str(mat.id) in local_mats:
-                    self._set_number_from_results(mat, prev_res)
-
-    def _set_number_from_mat(self, mat):
-        """Extracts material and number densities from openmc.Material
-
-        Parameters
-        ----------
-        mat : openmc.Material
-            The material to read from
-
-        """
-        mat_id = str(mat.id)
-
-        for nuclide, density in mat.get_nuclide_atom_densities().values():
-            number = density * 1.0e24
-            self.number.set_atom_density(mat_id, nuclide, number)
-
-
+           raise RuntimeError("Loading from previous results not yet supported")

From 22a29af6dc4283b5781a3802f6eff46f2d8357a8 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Tue, 28 Jun 2022 16:11:20 -0500
Subject: [PATCH 0459/2654] implement get_results_info function

---
 openmc/deplete/flux_operator.py | 11 +++++++++++
 1 file changed, 11 insertions(+)

diff --git a/openmc/deplete/flux_operator.py b/openmc/deplete/flux_operator.py
index 84248c6fb..c4ceacc5a 100644
--- a/openmc/deplete/flux_operator.py
+++ b/openmc/deplete/flux_operator.py
@@ -105,6 +105,7 @@ class FluxSpectraDepletionOperator(TransportOperator):
         self.round_number = False
         self.flux_spectra = flux_spectra
         self._init_nuclides = nuclides
+        self._volume = volume
 
         # Reduce the chain
         if reduce_chain:
@@ -268,6 +269,7 @@ class FluxSpectraDepletionOperator(TransportOperator):
         """
         ...
 
+
     def get_results_info(self):
         """Returns volume list, cell lists, and nuc lists.
 
@@ -283,7 +285,16 @@ class FluxSpectraDepletionOperator(TransportOperator):
         full_burn_list : list of int
             All burnable materials in the geometry.
         """
+        nuc_list = self.number.burnable_nuclides
+        burn_list = ['0']
 
+        volume = {'0': self._volume}
+
+        # Combine volume dictionaries across processes
+        volume_list = comm.allgather(volume)
+        volume = {k: v for d in volume_list for k, v in d.items()}
+
+        return volume, nuc_list, burn_list, burn_list
 
 
     def _update_materials(self):

From 992d4c16611044f9554ddcd4ff86ad2a0d1a8a91 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Tue, 28 Jun 2022 16:11:43 -0500
Subject: [PATCH 0460/2654] add flux_operator to the __init__ module

---
 openmc/deplete/__init__.py | 1 +
 1 file changed, 1 insertion(+)

diff --git a/openmc/deplete/__init__.py b/openmc/deplete/__init__.py
index 5891555a2..753167741 100644
--- a/openmc/deplete/__init__.py
+++ b/openmc/deplete/__init__.py
@@ -8,6 +8,7 @@ A depletion front-end tool.
 from .nuclide import *
 from .chain import *
 from .operator import *
+from .flux_operator import *
 from .reaction_rates import *
 from .atom_number import *
 from .stepresult import *

From e170914e39dffe51da10693f8436f237f3a1ad01 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Tue, 28 Jun 2022 21:03:41 -0500
Subject: [PATCH 0461/2654] variable name and algorithm improvements

- grammatical fixes in docstring for nuclide parameter
- remove unnecessary for loop in the reduce_chain block
- rename _get_all_depletion_nuclides to _get_all_nuclides_in_simulation
- change output of the above to an attribute, _all_nuclides
- change output of _get_reaction_nuclides to rxn_nuclides in __call__
- pass on creating statepoints
- make loop in _get_reaction_nuclides more efficient
- remove unnecessary loop in _get_nuclides_with_data
---
 openmc/deplete/flux_operator.py | 113 ++++++++++++++------------------
 1 file changed, 50 insertions(+), 63 deletions(-)

diff --git a/openmc/deplete/flux_operator.py b/openmc/deplete/flux_operator.py
index c4ceacc5a..48e9fda33 100644
--- a/openmc/deplete/flux_operator.py
+++ b/openmc/deplete/flux_operator.py
@@ -28,8 +28,6 @@ from .results import Results
 from .helpers import ConstantFissionYieldHelper
 
 
-
-
 class FluxSpectraDepletionOperator(TransportOperator):
     """Depletion operator that uses a user provided flux spectrum and one-group
     cross sections calculate reaction rates.
@@ -44,11 +42,11 @@ class FluxSpectraDepletionOperator(TransportOperator):
     volume : float
         Volume of the material being depleted in cm^3
     nuclides : dict of str to float
-        Dictionary with nuclides names as keys and concentration as values.
-        Nuclide concentration is assumed to be in [at/cm^3]
+        Dictionary with nuclide names as keys and nuclide concentrations as
+        values. Nuclide concentration units are [at/cm^3].
     micro_xs : pandas.DataFrame
         DataFrame with nuclides names as index and microscopic cross section
-        data in the columns.
+        data in the columns. Cross section units are [cm^-2].
     flux_spectra : float
         Flux spectrum [n cm^-2 s^-1]
     chain_file : str
@@ -99,20 +97,28 @@ class FluxSpectraDepletionOperator(TransportOperator):
         results are to be used.
     """
 
-    def __init__(self, volume, nuclides, micro_xs, flux_spectra, chain_file, keff=None, fission_q=None, dilute_initial=1.0e3,
-                 prev_results=None, reduce_chain=False, reduce_chain_level=None, fission_yield_opts=None):
+    def __init__(self,
+                 volume,
+                 nuclides,
+                 micro_xs,
+                 flux_spectra,
+                 chain_file,
+                 keff=None,
+                 fission_q=None,
+                 dilute_initial=1.0e3,
+                 prev_results=None,
+                 reduce_chain=False,
+                 reduce_chain_level=None,
+                 fission_yield_opts=None):
         super().__init__(chain_file, fission_q, dilute_initial, prev_results)
-        self.round_number = False
         self.flux_spectra = flux_spectra
         self._init_nuclides = nuclides
         self._volume = volume
 
-        # Reduce the chain
+        # Reduce the chain to only those nuclides present
         if reduce_chain:
-            all_nuclides = set()
-            for nuclide_name in nuclides.keys():
-                all_isotopes.add(nuclide_name)
-            self.chain = self.chain.reduce(all_nuclides, reduce_chain_level)
+            init_nuc_names = set(nuclides.keys())
+            self.chain = self.chain.reduce(init_nuc_names, reduce_chain_level)
 
         # Validate nuclides and micro-xs parameters
         check_type('nuclides', nuclides, dict, str)
@@ -121,21 +127,24 @@ class FluxSpectraDepletionOperator(TransportOperator):
         self._micro_xs = micro_xs
         self._keff = keff
 
-        nuclides = self._get_all_depletion_nuclides(nuclides)
+        self._all_nuclides = self._get_all_nuclides_in_simulation()
 
         # TODO: add support for loading previous results
 
         # Determine which nuclides have cross section data
+        # This nuclides variables contains every nuclides
+        # for which there is an entry in the micro_xs parameter
         self.nuclides_with_data = self._get_nuclides_with_data()
 
         # Select nuclides with data that are also in the chain
         self._burnable_nucs = [nuc.name for nuc in self.chain.nuclides
                                if nuc.name in self.nuclides_with_data]
 
-        # TODO : implement _extract_number
         # Extract number densities from the geometry / previous depletion run
-        #!!! consider removing this and just using the nuclides dict...
-        self._extract_number(['0'], {'0': volume}, nuclides, self.prev_res)
+        self._extract_number(['0'],
+                             {'0': volume},
+                             self._all_nuclides,
+                             self.prev_res)
 
         # Create reaction rates array
         self.reaction_rates = ReactionRates(
@@ -167,7 +176,6 @@ class FluxSpectraDepletionOperator(TransportOperator):
         """
 
         # Update the number densities regardless of the source rate
-        #!!! See previous excamation point comment
         self.number.set_density(vec)
         ## TODO : make sure this function works w the current structure.
         self._update_materials()
@@ -175,16 +183,15 @@ class FluxSpectraDepletionOperator(TransportOperator):
         # Update nuclides data in preparation for transport solve
 
         ## TODO : make sure this function works w the current structure.
-        # this nuclides varibale is all the nuclides that will show up via depletion
+        # this nuclides varibale contains all the nuclides that will show up via depletion
         # that have xs data
-        nuclides = self._get_reaction_nuclides()
-        self._yield_helper.update_tally_nuclides(nuclides)
+        rxn_nuclides = self._get_reaction_nuclides()
 
         rates = self.reaction_rates
         rates.fill(0.0)
 
         # Form fast map
-        nuc_ind = [rates.index_nuc[nuc] for nuc in nuclides]
+        nuc_ind = [rates.index_nuc[nuc] for nuc in rxn_nuclides]
         react_ind = [rates.index_rx[react] for react in self.chain.reactions]
 
         # Store fission yield dictionaries
@@ -267,7 +274,7 @@ class FluxSpectraDepletionOperator(TransportOperator):
         step : int
             Current depletion step including restarts
         """
-        ...
+        pass
 
 
     def get_results_info(self):
@@ -334,10 +341,10 @@ class FluxSpectraDepletionOperator(TransportOperator):
                 # summary.h5 file contains densities at the first time step
 
     def _get_reaction_nuclides(self):
-        """Determine nuclides that should be tallied for reaction rates.
+        """Determine nuclides that should have reation rates
 
         This method returns a list of all nuclides that have neutron data and
-        are listed in the depletion chain. Technically, we should tally nuclides
+        are listed in the depletion chain. Technically, we should list nuclides
         that may not appear in the depletion chain because we still need to get
         the fission reaction rate for these nuclides in order to normalize
         power, but that is left as a future exercise.
@@ -345,17 +352,15 @@ class FluxSpectraDepletionOperator(TransportOperator):
         Returns
         -------
         list of str
-            Tally nuclides
+            nuclides with reaction rates
 
         """
-        nuc_set = set()
-
         # Create the set of all nuclides in the decay chain in materials marked
         # for burning in which the number density is greater than zero.
-        for nuc in self.number.nuclides:
-            if nuc in self.nuclides_with_data:
-                if np.sum(self.number[:, nuc]) > 0.0:
-                    nuc_set.add(nuc)
+        nuc_set = set(self._all_nuclides).intersection(self.nuclides_with_data)
+        for nuc in nuc_set:
+            if not np.sum(self.number[:, nuc]) > 0.0:
+                nuc_set.remove(nuc)
 
         # Communicate which nuclides have nonzeros to rank 0
         if comm.rank == 0:
@@ -376,51 +381,33 @@ class FluxSpectraDepletionOperator(TransportOperator):
         nuc_list = comm.bcast(nuc_list)
         return [nuc for nuc in nuc_list if nuc in self.chain]
 
-    def _get_all_depletion_nuclides(self, nuclides):
-        """Determine nuclides that will show up in simulation
-
-        Parameters
-        ----------
-        nuclides : dict
-            dict whose keys are nuclide symbols as strings,
-            and whose values are nuclide concentrations in at/cm^3
+    def _get_all_nuclides_in_simulation(self):
+        """Determine nuclides that will show up in simulation.
+        This is the union of the nuclides provided by the user and
+        the nuclides present in the depletion chain.
 
         Returns
         -------
-        nuclides : list of str
+        all_nuclides : list of str
             Nuclides in order of how they'll appear in the simulation.
 
         """
 
-        model_nuclides = set()
-
-        #self.heavy_metal = 0.0
-
-        #bu_mat = openmc.Material()
-        #bu_mat.volume = volume
-        for n in nuclides:
-            model_nuclides.add(n)
-
-        #self.heavy_metal = bu_mat.fissionable_mass
-
-        # Sort the sets
-        model_nuclides = sorted(model_nuclides)
+        init_nuclides = sorted(self._init_nuclides.keys())
 
         # Construct a global nuclide dictionary, burned first
-        nuclides = list(self.chain.nuclide_dict)
-        for nuc in model_nuclides:
-            if nuc not in nuclides:
-                nuclides.append(nuc)
+        all_nuclides = list(self.chain.nuclide_dict)
+        for nuc in init_nuclides:
+            if nuc not in all_nuclides:
+                all_nuclides.append(nuc)
 
-        return nuclides
+        return all_nuclides
 
     def _get_nuclides_with_data(self):
         """Finds nuclides with cross section data"""
-        nuclides = set()
-        for name in self._micro_xs.index:
-            nuclides.add(name)
+        nuclides_with_data = set(self._micro_xs.index)
 
-        return nuclides
+        return nuclides_with_data
 
     def _extract_number(self, local_mats, volume, nuclides, prev_res=None):
         """Construct AtomNumber using geometry

From 7723ea492c12e17c2a8e2bef8f301386410b15a3 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 28 Jun 2022 09:45:38 -0500
Subject: [PATCH 0462/2654] Add Material.get_nuclide_activity method and
 decay_constant function

---
 docs/source/pythonapi/data.rst     |  1 +
 openmc/data/data.py                | 35 ++++++++++++++++++++++++++++--
 openmc/material.py                 | 30 +++++++++++++++----------
 tests/unit_tests/test_data_misc.py | 13 ++++++++++-
 4 files changed, 64 insertions(+), 15 deletions(-)

diff --git a/docs/source/pythonapi/data.rst b/docs/source/pythonapi/data.rst
index 6f5c006c2..287738774 100644
--- a/docs/source/pythonapi/data.rst
+++ b/docs/source/pythonapi/data.rst
@@ -61,6 +61,7 @@ Core Functions
 
     atomic_mass
     atomic_weight
+    decay_constant
     dose_coefficients
     gnd_name
     half_life
diff --git a/openmc/data/data.py b/openmc/data/data.py
index 3a3cf5826..71b93293e 100644
--- a/openmc/data/data.py
+++ b/openmc/data/data.py
@@ -3,7 +3,7 @@ import json
 import os
 import re
 from pathlib import Path
-from math import sqrt
+from math import sqrt, log
 from warnings import warn
 
 # Isotopic abundances from Meija J, Coplen T B, et al, "Isotopic compositions
@@ -202,7 +202,7 @@ _GND_NAME_RE = re.compile(r'([A-Zn][a-z]*)(\d+)((?:_[em]\d+)?)')
 
 # Used in half_life function as a cache
 _HALF_LIFE = {}
-
+_LOG_TWO = log(2.0)
 
 def atomic_mass(isotope):
     """Return atomic mass of isotope in atomic mass units.
@@ -283,6 +283,8 @@ def half_life(isotope):
     Half-life values are from the `ENDF/B-VIII.0 decay sublibrary
     <https://www.nndc.bnl.gov/endf-b8.0/download.html>`_.
 
+    .. versionadded:: 0.13.1
+
     Parameters
     ----------
     isotope : str
@@ -302,6 +304,35 @@ def half_life(isotope):
 
     return _HALF_LIFE.get(isotope.lower())
 
+
+def decay_constant(isotope):
+    """Return decay constant of isotope in [s^-1]
+
+    Decay constants are based on half-life values from the
+    :func:`~openmc.data.half_life` function. When the isotope is stable, a decay
+    constant of zero is returned.
+
+    .. versionadded:: 0.13.1
+
+    Parameters
+    ----------
+    isotope : str
+        Name of isotope, e.g., 'Pu239'
+
+    Returns
+    -------
+    float
+        Decay constant of isotope in [s^-1]
+
+    See also
+    --------
+    openmc.data.half_life
+
+    """
+    t = half_life(isotope)
+    return _LOG_TWO / t if t else 0.0
+
+
 def water_density(temperature, pressure=0.1013):
     """Return the density of liquid water at a given temperature and pressure.
 
diff --git a/openmc/material.py b/openmc/material.py
index 1341746dc..e8285de7c 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -3,7 +3,6 @@ from collections.abc import Iterable
 from copy import deepcopy
 from numbers import Real
 from pathlib import Path
-import math
 import re
 import warnings
 from xml.etree import ElementTree as ET
@@ -145,20 +144,10 @@ class Material(IDManagerMixin):
 
         return string
 
-
     @property
     def activity(self):
         """Returns the total activity of the material in Becquerels."""
-
-        atoms_per_barn_cm = self.get_nuclide_atom_densities()
-        total_activity = 0
-        for key, value in atoms_per_barn_cm.items():
-            half_life = openmc.data.half_life(key)
-            if half_life:
-                total_activity += value / half_life
-        total_activity *= math.log(2) * 1e24 * self.volume
-
-        return total_activity
+        return sum(self.get_nuclide_activity().values())
 
     @property
     def name(self):
@@ -861,6 +850,23 @@ class Material(IDManagerMixin):
 
         return nuclides
 
+    def get_nuclide_activity(self):
+        """Return activity in [Bq] for each nuclide in the material
+
+        .. versionadded:: 0.13.1
+
+        Returns
+        -------
+        dict
+            Dictionary whose keys are nuclide names and values are activity in
+            [Bq].
+        """
+        activity = {}
+        for nuclide, atoms in self.get_nuclide_atoms().items():
+            inv_seconds = openmc.data.decay_constant(nuclide)
+            activity[nuclide] = inv_seconds * atoms
+        return activity
+
     def get_nuclide_atoms(self):
         """Return number of atoms of each nuclide in the material
 
diff --git a/tests/unit_tests/test_data_misc.py b/tests/unit_tests/test_data_misc.py
index 6a81fb1e0..c3f7e3cff 100644
--- a/tests/unit_tests/test_data_misc.py
+++ b/tests/unit_tests/test_data_misc.py
@@ -1,6 +1,6 @@
 #!/usr/bin/env python
 
-from collections.abc import Mapping
+from math import log
 import os
 from pathlib import Path
 
@@ -126,3 +126,14 @@ def test_zam():
     assert openmc.data.zam('Am242_m10') == (95, 242, 10)
     with pytest.raises(ValueError):
         openmc.data.zam('garbage')
+
+
+def test_half_life():
+    assert openmc.data.half_life('H2') is None
+    assert openmc.data.half_life('U235') == pytest.approx(2.22102e16)
+    assert openmc.data.half_life('Am242') == pytest.approx(57672.0)
+    assert openmc.data.half_life('Am242_m1') == pytest.approx(4449622000.0)
+    assert openmc.data.decay_constant('H2') == 0.0
+    assert openmc.data.decay_constant('U235') == pytest.approx(log(2.0)/2.22102e16)
+    assert openmc.data.decay_constant('Am242') == pytest.approx(log(2.0)/57672.0)
+    assert openmc.data.decay_constant('Am242_m1') == pytest.approx(log(2.0)/4449622000.0)

From 6eaab920eeaddac452ad07e25015357c3658f139 Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Wed, 29 Jun 2022 08:18:10 +0200
Subject: [PATCH 0463/2654] better error catching

---
 openmc/tallies.py | 7 +++++--
 1 file changed, 5 insertions(+), 2 deletions(-)

diff --git a/openmc/tallies.py b/openmc/tallies.py
index b795fc83a..faa7c3efe 100644
--- a/openmc/tallies.py
+++ b/openmc/tallies.py
@@ -471,9 +471,12 @@ class Tally(IDManagerMixin):
         try:
             import vtk
             import vtk.util.numpy_support as nps
-        except ImportError:
+        except ModuleNotFoundError:
             msg = 'Python package vtk was not found, please install vtk to use Tally.write_to_vtk.'
-            raise ImportError(msg)
+            raise ModuleNotFoundError(msg)
+        except ImportError as err:
+            raise err
+
         mesh = None
         for f in self.filters:
             if isinstance(f, openmc.MeshFilter):

From fb40ba894addb3ab87226e80e631aaa6288dafa6 Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Wed, 29 Jun 2022 08:18:22 +0200
Subject: [PATCH 0464/2654] moved comment statement

---
 openmc/tallies.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/tallies.py b/openmc/tallies.py
index faa7c3efe..bec0ddc6f 100644
--- a/openmc/tallies.py
+++ b/openmc/tallies.py
@@ -467,7 +467,6 @@ class Tally(IDManagerMixin):
             ValueError: if no MeshFilter with appropriate mesh was found 
                 (SphericalMesh not supported)
         """
-        # check that tally has a MeshFilter
         try:
             import vtk
             import vtk.util.numpy_support as nps
@@ -477,6 +476,7 @@ class Tally(IDManagerMixin):
         except ImportError as err:
             raise err
 
+        # check that tally has a MeshFilter
         mesh = None
         for f in self.filters:
             if isinstance(f, openmc.MeshFilter):

From dacd3b75b855d8f28da8f7eedea4e6508c20fd80 Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Wed, 29 Jun 2022 08:20:25 +0200
Subject: [PATCH 0465/2654] moved import to voxels_to_vtk

---
 openmc/tallies.py | 18 ++++++++----------
 1 file changed, 8 insertions(+), 10 deletions(-)

diff --git a/openmc/tallies.py b/openmc/tallies.py
index bec0ddc6f..fbf2962b9 100644
--- a/openmc/tallies.py
+++ b/openmc/tallies.py
@@ -467,15 +467,6 @@ class Tally(IDManagerMixin):
             ValueError: if no MeshFilter with appropriate mesh was found 
                 (SphericalMesh not supported)
         """
-        try:
-            import vtk
-            import vtk.util.numpy_support as nps
-        except ModuleNotFoundError:
-            msg = 'Python package vtk was not found, please install vtk to use Tally.write_to_vtk.'
-            raise ModuleNotFoundError(msg)
-        except ImportError as err:
-            raise err
-
         # check that tally has a MeshFilter
         mesh = None
         for f in self.filters:
@@ -3324,7 +3315,14 @@ def voxels_to_vtk(x_vals, y_vals, z_vals, mean, std_dev, cylindrical=True):
     Returns:
         vtkStructuredGrid: a vtk object containing tally data on the appropriate grid
     """
-
+    try:
+        import vtk
+        import vtk.util.numpy_support as nps
+    except ModuleNotFoundError:
+        msg = 'Python package vtk was not found, please install vtk to use Tally.write_to_vtk.'
+        raise ModuleNotFoundError(msg)
+    except ImportError as err:
+        raise err
     # TODO: should this be a method of Tally?
 
     vtk_grid = vtk.vtkStructuredGrid()

From 9ec0a0a3df1a90783e1b0e60701f972275ffd17e Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Wed, 29 Jun 2022 08:42:32 +0200
Subject: [PATCH 0466/2654] refactoring

---
 openmc/tallies.py | 105 +++++++++++++++++++++++-----------------------
 1 file changed, 53 insertions(+), 52 deletions(-)

diff --git a/openmc/tallies.py b/openmc/tallies.py
index fbf2962b9..a25d535e5 100644
--- a/openmc/tallies.py
+++ b/openmc/tallies.py
@@ -464,61 +464,29 @@ class Tally(IDManagerMixin):
             filename (str): the filename (must end with .vtk)
 
         Raises:
-            ValueError: if no MeshFilter with appropriate mesh was found 
-                (SphericalMesh not supported)
+            ValueError: if no MeshFilter was found
         """
+        try:
+            import vtk
+        except ModuleNotFoundError:
+            msg = 'Python package vtk was not found, please install vtk to use Tally.write_to_vtk.'
+            raise ModuleNotFoundError(msg)
+        except ImportError as err:
+            raise err
+
         # check that tally has a MeshFilter
         mesh = None
         for f in self.filters:
             if isinstance(f, openmc.MeshFilter):
-                if isinstance(f.mesh, (openmc.RegularMesh, openmc.RectilinearMesh, openmc.CylindricalMesh)):
-                    mesh = f.mesh
-                    break
+                mesh = f.mesh
+                break
 
         if not mesh:
             raise ValueError(
-                "write_to_vtk only works with openmc.RegularMesh, openmc.RectilinearMesh, openmc.CylindricalMesh"
+                "write_to_vtk requires a MeshFilter in the tally filters"
             )
 
-        if isinstance(mesh, openmc.RegularMesh):
-            vtk_grid = voxels_to_vtk(
-                x_vals=np.linspace(
-                    mesh.lower_left[0],
-                    mesh.upper_right[0],
-                    num=mesh.dimension[0] + 1,
-                ),
-                y_vals=np.linspace(
-                    mesh.lower_left[1],
-                    mesh.upper_right[1],
-                    num=mesh.dimension[1] + 1,
-                ),
-                z_vals=np.linspace(
-                    mesh.lower_left[2],
-                    mesh.upper_right[2],
-                    num=mesh.dimension[2] + 1,
-                ),
-                mean=self.mean,
-                std_dev=self.std_dev,
-                cylindrical=False,
-            )
-        if isinstance(mesh, openmc.RectilinearMesh):
-            vtk_grid = voxels_to_vtk(
-                x_vals=mesh.x_grid,
-                y_vals=mesh.y_grid,
-                z_vals=mesh.z_grid,
-                mean=self.mean,
-                std_dev=self.std_dev,
-                cylindrical=False,
-            )
-        elif isinstance(mesh, openmc.CylindricalMesh):
-            vtk_grid = voxels_to_vtk(
-                x_vals=mesh.r_grid,
-                y_vals=mesh.phi_grid,
-                z_vals=mesh.z_grid,
-                mean=self.mean,
-                std_dev=self.std_dev,
-                cylindrical=True,
-            )
+        vtk_grid = voxels_to_vtk(mesh, self.mean, self.std_dev)
 
         # write the .vtk file
         writer = vtk.vtkStructuredGridWriter()
@@ -3300,20 +3268,20 @@ class Tallies(cv.CheckedList):
         return cls(tallies)
 
 
-def voxels_to_vtk(x_vals, y_vals, z_vals, mean, std_dev, cylindrical=True):
+def voxels_to_vtk(mesh, mean, std_dev):
     """Creates a vtk object from a list of X, Y, Z values and mean/std_dev data.
 
     Args:
-        x_vals (list): X values.
-        y_vals (list): Y values.
-        z_vals (list): Z values.
+        mesh (openmc.StructuredMesh): The tallied mesh (SphericalMesh is not yet supported).
         mean (np.array): the tally mean.
         std_dev (np.array): the tally standard deviation.
-        cylindrical (bool, optional): If set to True, cylindrical coordinates
-            (r, phi, z) are assumed. Defaults to True.
 
     Returns:
         vtkStructuredGrid: a vtk object containing tally data on the appropriate grid
+
+    Raises:
+        ValueError: if mesh is not openmc.RegularMesh, openmc.RectilinearMesh or
+            openmc.CylindricalMesh
     """
     try:
         import vtk
@@ -3325,13 +3293,46 @@ def voxels_to_vtk(x_vals, y_vals, z_vals, mean, std_dev, cylindrical=True):
         raise err
     # TODO: should this be a method of Tally?
 
+    system_of_coordinates = "cartesian"
+
+    if isinstance(mesh, openmc.RegularMesh):
+        print('coucou')
+        x_vals = np.linspace(
+            mesh.lower_left[0],
+            mesh.upper_right[0],
+            num=mesh.dimension[0] + 1,
+        )
+        y_vals = np.linspace(
+            mesh.lower_left[1],
+            mesh.upper_right[1],
+            num=mesh.dimension[1] + 1,
+        )
+        z_vals = np.linspace(
+            mesh.lower_left[2],
+            mesh.upper_right[2],
+            num=mesh.dimension[2] + 1,
+        )
+    elif isinstance(mesh, openmc.RectilinearMesh):
+        x_vals = mesh.x_grid
+        y_vals = mesh.y_grid
+        z_vals = mesh.z_grid
+    elif isinstance(mesh, openmc.CylindricalMesh):
+        x_vals = mesh.r_grid
+        y_vals = mesh.phi_grid
+        z_vals = mesh.z_grid
+        system_of_coordinates = "cylindrical"
+    else:
+        print(type(mesh))
+        raise ValueError(
+                "voxels_to_vtk only works with openmc.RegularMesh, openmc.RectilinearMesh, openmc.CylindricalMesh"
+            )
     vtk_grid = vtk.vtkStructuredGrid()
 
     vtk_grid.SetDimensions(len(x_vals), len(y_vals), len(z_vals))
 
     # create points
     points = np.array([[x, y, z] for z in z_vals for y in y_vals for x in x_vals])
-    if cylindrical:  # transform points to cartesian coordinates
+    if system_of_coordinates == "cylindrical":  # transform points to cartesian coordinates
         points_cartesian = np.copy(points)
         r, phi, z = points[:, 0], points[:, 1], points[:, 2]
         points_cartesian[:, 0] = r * np.cos(phi)

From 11cee75e46ebc7e9756d81dbfae3452ff824cc10 Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Wed, 29 Jun 2022 09:12:28 +0200
Subject: [PATCH 0467/2654] put write_to_vtk method at the end

---
 openmc/tallies.py | 74 +++++++++++++++++++++++------------------------
 1 file changed, 37 insertions(+), 37 deletions(-)

diff --git a/openmc/tallies.py b/openmc/tallies.py
index a25d535e5..198f5581b 100644
--- a/openmc/tallies.py
+++ b/openmc/tallies.py
@@ -457,43 +457,6 @@ class Tally(IDManagerMixin):
                 self._std_dev = np.reshape(self._std_dev.toarray(), self.shape)
             self._sparse = False
 
-    def write_to_vtk(self, filename):
-        """Writes the tally to a vtk file
-
-        Args:
-            filename (str): the filename (must end with .vtk)
-
-        Raises:
-            ValueError: if no MeshFilter was found
-        """
-        try:
-            import vtk
-        except ModuleNotFoundError:
-            msg = 'Python package vtk was not found, please install vtk to use Tally.write_to_vtk.'
-            raise ModuleNotFoundError(msg)
-        except ImportError as err:
-            raise err
-
-        # check that tally has a MeshFilter
-        mesh = None
-        for f in self.filters:
-            if isinstance(f, openmc.MeshFilter):
-                mesh = f.mesh
-                break
-
-        if not mesh:
-            raise ValueError(
-                "write_to_vtk requires a MeshFilter in the tally filters"
-            )
-
-        vtk_grid = voxels_to_vtk(mesh, self.mean, self.std_dev)
-
-        # write the .vtk file
-        writer = vtk.vtkStructuredGridWriter()
-        writer.SetFileName(filename)
-        writer.SetInputData(vtk_grid)
-        writer.Write()
-
     def remove_score(self, score):
         """Remove a score from the tally
 
@@ -3050,6 +3013,43 @@ class Tally(IDManagerMixin):
         new_tally.sparse = self.sparse
         return new_tally
 
+    def write_to_vtk(self, filename):
+        """Writes the tally to a vtk file
+
+        Args:
+            filename (str): the filename (must end with .vtk)
+
+        Raises:
+            ValueError: if no MeshFilter was found
+        """
+        try:
+            import vtk
+        except ModuleNotFoundError:
+            msg = 'Python package vtk was not found, please install vtk to use Tally.write_to_vtk.'
+            raise ModuleNotFoundError(msg)
+        except ImportError as err:
+            raise err
+
+        # check that tally has a MeshFilter
+        mesh = None
+        for f in self.filters:
+            if isinstance(f, openmc.MeshFilter):
+                mesh = f.mesh
+                break
+
+        if not mesh:
+            raise ValueError(
+                "write_to_vtk requires a MeshFilter in the tally filters"
+            )
+
+        vtk_grid = voxels_to_vtk(mesh, self.mean, self.std_dev)
+
+        # write the .vtk file
+        writer = vtk.vtkStructuredGridWriter()
+        writer.SetFileName(filename)
+        writer.SetInputData(vtk_grid)
+        writer.Write()
+
 
 class Tallies(cv.CheckedList):
     """Collection of Tallies used for an OpenMC simulation.

From bff8bc4b459030448749e587fb0fde2cf53d48f9 Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Wed, 29 Jun 2022 09:16:40 +0200
Subject: [PATCH 0468/2654] added tests

---
 tests/unit_tests/test_tallies.py | 62 ++++++++++++++++++++++++++++++++
 1 file changed, 62 insertions(+)

diff --git a/tests/unit_tests/test_tallies.py b/tests/unit_tests/test_tallies.py
index aeeb0612d..b6fc6cc47 100644
--- a/tests/unit_tests/test_tallies.py
+++ b/tests/unit_tests/test_tallies.py
@@ -1,4 +1,8 @@
 import numpy as np
+import pytest
+import vtk
+from os.path import exists
+
 import openmc
 
 
@@ -38,3 +42,61 @@ def test_xml_roundtrip(run_in_tmpdir):
     assert new_tally.triggers[0].trigger_type == tally.triggers[0].trigger_type
     assert new_tally.triggers[0].threshold == tally.triggers[0].threshold
     assert new_tally.triggers[0].scores == tally.triggers[0].scores
+
+
+cylinder_mesh = openmc.CylindricalMesh()
+cylinder_mesh.r_grid = np.linspace(1, 2, num=30)
+cylinder_mesh.phi_grid = np.linspace(0, np.pi / 2, num=50)
+cylinder_mesh.z_grid = np.linspace(0, 1, num=30)
+
+regular_mesh = openmc.RegularMesh()
+regular_mesh.lower_left = [0, 0, 0]
+regular_mesh.upper_right = [1, 1, 1]
+regular_mesh.dimension = [10, 5, 6]
+
+rectilinear_mesh = openmc.RectilinearMesh()
+rectilinear_mesh.x_grid = np.linspace(0, 1)
+rectilinear_mesh.y_grid = np.linspace(0, 1)
+rectilinear_mesh.z_grid = np.linspace(0, 1)
+
+
+@pytest.mark.parametrize("mesh", [cylinder_mesh, regular_mesh, rectilinear_mesh])
+def test_voxels_to_vtk(mesh):
+    vtk_grid = openmc.voxels_to_vtk(mesh, mean=None, std_dev=None)
+    assert isinstance(vtk_grid, vtk.vtkStructuredGrid)
+
+
+@pytest.mark.parametrize("mesh", [cylinder_mesh, regular_mesh, rectilinear_mesh])
+def test_write_to_vtk(mesh, tmpdir):
+    # build
+    tally = openmc.Tally()
+    tally.filters = [openmc.MeshFilter(mesh)]
+    filename = tmpdir / "out.vtk"
+    # run
+    tally.write_to_vtk(filename)
+    # test
+    assert exists(filename)
+
+
+def test_write_to_vtk_raises_error_when_no_meshfilter():
+    # build
+    tally = openmc.Tally()
+
+    # test
+    expected_err_msg = "write_to_vtk requires a MeshFilter in the tally filters"
+    with pytest.raises(ValueError, match=expected_err_msg):
+        tally.write_to_vtk("out.vtk")
+
+
+def test_voxel_to_vtk_raises_error_with_wrong_mesh():
+    # build
+    tally = openmc.Tally()
+    spherical_mesh = openmc.SphericalMesh()
+    spherical_mesh.r_grid = np.linspace(1, 2)
+    spherical_mesh.phi_grid = np.linspace(1, 2)
+    spherical_mesh.theta_grid = np.linspace(1, 2)
+    tally.filters = [openmc.MeshFilter(spherical_mesh)]
+    # test
+    expected_err_msg = "voxels_to_vtk only works with openmc.RegularMesh, openmc.RectilinearMesh, openmc.CylindricalMesh"
+    with pytest.raises(ValueError, match=expected_err_msg):
+        tally.write_to_vtk("out.vtk")
\ No newline at end of file

From b61ec91d781caf8e7ca593a98c76d916a8efa94e Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Wed, 29 Jun 2022 09:50:28 +0200
Subject: [PATCH 0469/2654] removed print statement

---
 openmc/tallies.py | 1 -
 1 file changed, 1 deletion(-)

diff --git a/openmc/tallies.py b/openmc/tallies.py
index 198f5581b..88f747249 100644
--- a/openmc/tallies.py
+++ b/openmc/tallies.py
@@ -3296,7 +3296,6 @@ def voxels_to_vtk(mesh, mean, std_dev):
     system_of_coordinates = "cartesian"
 
     if isinstance(mesh, openmc.RegularMesh):
-        print('coucou')
         x_vals = np.linspace(
             mesh.lower_left[0],
             mesh.upper_right[0],

From cac84d6e1f76b69d28da8674fcf81011170cf446 Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Wed, 29 Jun 2022 09:50:42 +0200
Subject: [PATCH 0470/2654] removd print statement

---
 openmc/tallies.py | 1 -
 1 file changed, 1 deletion(-)

diff --git a/openmc/tallies.py b/openmc/tallies.py
index 88f747249..020d4a3d9 100644
--- a/openmc/tallies.py
+++ b/openmc/tallies.py
@@ -3321,7 +3321,6 @@ def voxels_to_vtk(mesh, mean, std_dev):
         z_vals = mesh.z_grid
         system_of_coordinates = "cylindrical"
     else:
-        print(type(mesh))
         raise ValueError(
                 "voxels_to_vtk only works with openmc.RegularMesh, openmc.RectilinearMesh, openmc.CylindricalMesh"
             )

From 7be28ef156a96fb4c525130d9c52e6966cf43539 Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Wed, 29 Jun 2022 11:08:58 +0200
Subject: [PATCH 0471/2654] added vtk_grid to meshes

---
 openmc/mesh.py | 99 ++++++++++++++++++++++++++++++++++++++++++++++++++
 1 file changed, 99 insertions(+)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 7f7b07879..dbdfb10b0 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -621,7 +621,45 @@ class RegularMesh(StructuredMesh):
         root_cell.fill = lattice
 
         return root_cell, cells
+    
+    def vtk_grid(self, filename=None):
+        import vtk
+        from vtk.util import numpy_support as nps
 
+        x_vals = np.linspace(
+            self.lower_left[0],
+            self.upper_right[0],
+            num=self.dimension[0] + 1,
+        )
+        y_vals = np.linspace(
+            self.lower_left[1],
+            self.upper_right[1],
+            num=self.dimension[1] + 1,
+        )
+        z_vals = np.linspace(
+            self.lower_left[2],
+            self.upper_right[2],
+            num=self.dimension[2] + 1,
+        )
+        vtk_grid = vtk.vtkStructuredGrid()
+
+        vtk_grid.SetDimensions(len(x_vals), len(y_vals), len(z_vals))
+
+        # create points
+        pts_cartesian = np.array([[x, y, z] for z in z_vals for y in y_vals for x in x_vals])
+
+        vtkPts = vtk.vtkPoints()
+        vtkPts.SetData(nps.numpy_to_vtk(pts_cartesian, deep=True))
+        vtk_grid.SetPoints(vtkPts)
+
+        if filename:
+            # write the .vtk file
+            writer = vtk.vtkStructuredGridWriter()
+            writer.SetFileName(filename)
+            writer.SetInputData(vtk_grid)
+            writer.Write()
+
+        return vtk_grid
 
 def Mesh(*args, **kwargs):
     warnings.warn("Mesh has been renamed RegularMesh. Future versions of "
@@ -821,6 +859,33 @@ class RectilinearMesh(StructuredMesh):
 
         return element
 
+    def vtk_grid(self, filename=None):
+        import vtk
+        from vtk.util import numpy_support as nps
+
+        x_vals = self.x_grid
+        y_vals = self.y_grid
+        z_vals = self.z_grid
+        vtk_grid = vtk.vtkStructuredGrid()
+
+        vtk_grid.SetDimensions(len(x_vals), len(y_vals), len(z_vals))
+
+        # create points
+        pts_cartesian = np.array([[x, y, z] for z in z_vals for y in y_vals for x in x_vals])
+
+        vtkPts = vtk.vtkPoints()
+        vtkPts.SetData(nps.numpy_to_vtk(pts_cartesian, deep=True))
+        vtk_grid.SetPoints(vtkPts)
+
+        if filename:
+            # write the .vtk file
+            writer = vtk.vtkStructuredGridWriter()
+            writer.SetFileName(filename)
+            writer.SetInputData(vtk_grid)
+            writer.Write()
+
+        return vtk_grid
+
 
 class CylindricalMesh(StructuredMesh):
     """A 3D cylindrical mesh
@@ -1012,6 +1077,37 @@ class CylindricalMesh(StructuredMesh):
 
         return np.multiply.outer(np.outer(V_r, V_p), V_z)
 
+    def vtk_grid(self, filename=None):
+        import vtk
+        from vtk.util import numpy_support as nps
+
+        r_vals = self.r_grid
+        phi_vals = self.phi_grid
+        z_vals = self.z_grid
+        vtk_grid = vtk.vtkStructuredGrid()
+
+        vtk_grid.SetDimensions(len(r_vals), len(phi_vals), len(z_vals))
+
+        # create points
+        pts_cylindrical = np.array([[r, phi, z] for z in z_vals for phi in phi_vals for r in r_vals])
+        pts_cartesian = np.copy(pts_cylindrical)
+        r, phi, z = pts_cylindrical[:, 0], pts_cylindrical[:, 1], pts_cylindrical[:, 2]
+        pts_cartesian[:, 0] = r * np.cos(phi)
+        pts_cartesian[:, 1] = r * np.sin(phi)
+        pts_cartesian[:, 2] = z
+
+        vtkPts = vtk.vtkPoints()
+        vtkPts.SetData(nps.numpy_to_vtk(pts_cartesian, deep=True))
+        vtk_grid.SetPoints(vtkPts)
+
+        if filename:
+            # write the .vtk file
+            writer = vtk.vtkStructuredGridWriter()
+            writer.SetFileName(filename)
+            writer.SetInputData(vtk_grid)
+            writer.Write()
+
+        return vtk_grid
 
 class SphericalMesh(StructuredMesh):
     """A 3D spherical mesh
@@ -1204,6 +1300,9 @@ class SphericalMesh(StructuredMesh):
 
         return np.multiply.outer(np.outer(V_r, V_t), V_p)
 
+    def vtk_grid(self, filename=None):
+        raise NotImplementedError("vtk_grid not implemented for SphericalMesh")
+
 
 class UnstructuredMesh(MeshBase):
     """A 3D unstructured mesh

From 4ab6617bc4fe681bff68bce6dd4b22bf57a821d9 Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Wed, 29 Jun 2022 11:09:18 +0200
Subject: [PATCH 0472/2654] write_to_vtk makes use of mesh.vtk_grid()

---
 openmc/tallies.py | 113 +++++-----------------------------------------
 1 file changed, 12 insertions(+), 101 deletions(-)

diff --git a/openmc/tallies.py b/openmc/tallies.py
index 020d4a3d9..e67365df6 100644
--- a/openmc/tallies.py
+++ b/openmc/tallies.py
@@ -3042,7 +3042,18 @@ class Tally(IDManagerMixin):
                 "write_to_vtk requires a MeshFilter in the tally filters"
             )
 
-        vtk_grid = voxels_to_vtk(mesh, self.mean, self.std_dev)
+        vtk_grid = mesh.vtk_grid()
+
+        # add mean and std dev data
+        mean_array = vtk.vtkDoubleArray()
+        mean_array.SetName("mean")
+        mean_array.SetArray(self.mean, self.mean.size, True)
+        vtk_grid.GetCellData().AddArray(mean_array)
+
+        std_dev_array = vtk.vtkDoubleArray()
+        std_dev_array.SetName("std_dev")
+        std_dev_array.SetArray(self.std_dev, self.std_dev.size, True)
+        vtk_grid.GetCellData().AddArray(std_dev_array)
 
         # write the .vtk file
         writer = vtk.vtkStructuredGridWriter()
@@ -3266,103 +3277,3 @@ class Tallies(cv.CheckedList):
             tallies.append(tally)
 
         return cls(tallies)
-
-
-def voxels_to_vtk(mesh, mean, std_dev):
-    """Creates a vtk object from a list of X, Y, Z values and mean/std_dev data.
-
-    Args:
-        mesh (openmc.StructuredMesh): The tallied mesh (SphericalMesh is not yet supported).
-        mean (np.array): the tally mean.
-        std_dev (np.array): the tally standard deviation.
-
-    Returns:
-        vtkStructuredGrid: a vtk object containing tally data on the appropriate grid
-
-    Raises:
-        ValueError: if mesh is not openmc.RegularMesh, openmc.RectilinearMesh or
-            openmc.CylindricalMesh
-    """
-    try:
-        import vtk
-        import vtk.util.numpy_support as nps
-    except ModuleNotFoundError:
-        msg = 'Python package vtk was not found, please install vtk to use Tally.write_to_vtk.'
-        raise ModuleNotFoundError(msg)
-    except ImportError as err:
-        raise err
-    # TODO: should this be a method of Tally?
-
-    system_of_coordinates = "cartesian"
-
-    if isinstance(mesh, openmc.RegularMesh):
-        x_vals = np.linspace(
-            mesh.lower_left[0],
-            mesh.upper_right[0],
-            num=mesh.dimension[0] + 1,
-        )
-        y_vals = np.linspace(
-            mesh.lower_left[1],
-            mesh.upper_right[1],
-            num=mesh.dimension[1] + 1,
-        )
-        z_vals = np.linspace(
-            mesh.lower_left[2],
-            mesh.upper_right[2],
-            num=mesh.dimension[2] + 1,
-        )
-    elif isinstance(mesh, openmc.RectilinearMesh):
-        x_vals = mesh.x_grid
-        y_vals = mesh.y_grid
-        z_vals = mesh.z_grid
-    elif isinstance(mesh, openmc.CylindricalMesh):
-        x_vals = mesh.r_grid
-        y_vals = mesh.phi_grid
-        z_vals = mesh.z_grid
-        system_of_coordinates = "cylindrical"
-    else:
-        raise ValueError(
-                "voxels_to_vtk only works with openmc.RegularMesh, openmc.RectilinearMesh, openmc.CylindricalMesh"
-            )
-    vtk_grid = vtk.vtkStructuredGrid()
-
-    vtk_grid.SetDimensions(len(x_vals), len(y_vals), len(z_vals))
-
-    # create points
-    points = np.array([[x, y, z] for z in z_vals for y in y_vals for x in x_vals])
-    if system_of_coordinates == "cylindrical":  # transform points to cartesian coordinates
-        points_cartesian = np.copy(points)
-        r, phi, z = points[:, 0], points[:, 1], points[:, 2]
-        points_cartesian[:, 0] = r * np.cos(phi)
-        points_cartesian[:, 1] = r * np.sin(phi)
-        points_cartesian[:, 2] = z
-        points = points_cartesian
-
-    vtkPts = vtk.vtkPoints()
-    vtkPts.SetData(nps.numpy_to_vtk(points, deep=True))
-    vtk_grid.SetPoints(vtkPts)
-
-    # add mean and std dev data
-    mean_array = vtk.vtkDoubleArray()
-    mean_array.SetName("mean")
-    if mean is None:
-        mean = np.zeros(
-            (len(x_vals) - 1)
-            * (len(y_vals) - 1)
-            * (len(z_vals) - 1)
-        )
-    mean_array.SetArray(mean, mean.size, True)
-    vtk_grid.GetCellData().AddArray(mean_array)
-
-    std_dev_array = vtk.vtkDoubleArray()
-    std_dev_array.SetName("std_dev")
-    if std_dev is None:
-        std_dev = np.zeros(
-            (len(x_vals) - 1)
-            * (len(y_vals) - 1)
-            * (len(z_vals) - 1)
-        )
-    std_dev_array.SetArray(std_dev, std_dev.size, True)
-    vtk_grid.GetCellData().AddArray(std_dev_array)
-
-    return vtk_grid

From 8958b74da73e47757147ab80b22b325926291142 Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Wed, 29 Jun 2022 11:09:32 +0200
Subject: [PATCH 0473/2654] adapted tests

---
 tests/unit_tests/test_tallies.py | 29 ++++++++++++++++++++---------
 1 file changed, 20 insertions(+), 9 deletions(-)

diff --git a/tests/unit_tests/test_tallies.py b/tests/unit_tests/test_tallies.py
index b6fc6cc47..e49596f6d 100644
--- a/tests/unit_tests/test_tallies.py
+++ b/tests/unit_tests/test_tallies.py
@@ -43,6 +43,23 @@ def test_xml_roundtrip(run_in_tmpdir):
     assert new_tally.triggers[0].threshold == tally.triggers[0].threshold
     assert new_tally.triggers[0].scores == tally.triggers[0].scores
 
+def run_dummy_sim(tally):
+    mat = openmc.Material()
+    mat.add_nuclide('Zr90', 1.0)
+    mat.set_density('g/cm3', 1.0)
+
+    model = openmc.Model()
+    sph = openmc.Sphere(r=25.0, boundary_type='vacuum')
+    cell = openmc.Cell(fill=mat, region=-sph)
+    model.geometry = openmc.Geometry([cell])
+
+    model.settings.run_mode = 'fixed source'
+    model.settings.batches = 2
+    model.settings.particles = 50
+
+    model.tallies = openmc.Tallies([tally])
+
+    model.run()
 
 cylinder_mesh = openmc.CylindricalMesh()
 cylinder_mesh.r_grid = np.linspace(1, 2, num=30)
@@ -59,19 +76,13 @@ rectilinear_mesh.x_grid = np.linspace(0, 1)
 rectilinear_mesh.y_grid = np.linspace(0, 1)
 rectilinear_mesh.z_grid = np.linspace(0, 1)
 
-
-@pytest.mark.parametrize("mesh", [cylinder_mesh, regular_mesh, rectilinear_mesh])
-def test_voxels_to_vtk(mesh):
-    vtk_grid = openmc.voxels_to_vtk(mesh, mean=None, std_dev=None)
-    assert isinstance(vtk_grid, vtk.vtkStructuredGrid)
-
-
 @pytest.mark.parametrize("mesh", [cylinder_mesh, regular_mesh, rectilinear_mesh])
 def test_write_to_vtk(mesh, tmpdir):
     # build
     tally = openmc.Tally()
     tally.filters = [openmc.MeshFilter(mesh)]
     filename = tmpdir / "out.vtk"
+    run_dummy_sim(tally)
     # run
     tally.write_to_vtk(filename)
     # test
@@ -97,6 +108,6 @@ def test_voxel_to_vtk_raises_error_with_wrong_mesh():
     spherical_mesh.theta_grid = np.linspace(1, 2)
     tally.filters = [openmc.MeshFilter(spherical_mesh)]
     # test
-    expected_err_msg = "voxels_to_vtk only works with openmc.RegularMesh, openmc.RectilinearMesh, openmc.CylindricalMesh"
-    with pytest.raises(ValueError, match=expected_err_msg):
+    expected_err_msg = "vtk_grid not implemented for SphericalMesh"
+    with pytest.raises(NotImplementedError, match=expected_err_msg):
         tally.write_to_vtk("out.vtk")
\ No newline at end of file

From 2a78c06cf512e579eaeef007a63a2c90da9cb4ed Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Wed, 29 Jun 2022 11:21:45 +0200
Subject: [PATCH 0474/2654] added docstrings

---
 openmc/mesh.py | 37 +++++++++++++++++++++++++++++++++++++
 1 file changed, 37 insertions(+)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index dbdfb10b0..f6e395328 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -623,6 +623,15 @@ class RegularMesh(StructuredMesh):
         return root_cell, cells
     
     def vtk_grid(self, filename=None):
+        """Creates a VTK object of the mesh
+
+        Args:
+            filename (str, optional): Name of the vtk file to write =
+                (must end with .vtk). Defaults to None.
+
+        Returns:
+            vtk.vtkStructuredGrid: the VTK object
+        """
         import vtk
         from vtk.util import numpy_support as nps
 
@@ -860,6 +869,15 @@ class RectilinearMesh(StructuredMesh):
         return element
 
     def vtk_grid(self, filename=None):
+        """Creates a VTK object of the mesh
+
+        Args:
+            filename (str, optional): Name of the vtk file to write =
+                (must end with .vtk). Defaults to None.
+
+        Returns:
+            vtk.vtkStructuredGrid: the VTK object
+        """
         import vtk
         from vtk.util import numpy_support as nps
 
@@ -1078,6 +1096,15 @@ class CylindricalMesh(StructuredMesh):
         return np.multiply.outer(np.outer(V_r, V_p), V_z)
 
     def vtk_grid(self, filename=None):
+        """Creates a VTK object of the mesh
+
+        Args:
+            filename (str, optional): Name of the vtk file to write =
+                (must end with .vtk). Defaults to None.
+
+        Returns:
+            vtk.vtkStructuredGrid: the VTK object
+        """
         import vtk
         from vtk.util import numpy_support as nps
 
@@ -1301,6 +1328,16 @@ class SphericalMesh(StructuredMesh):
         return np.multiply.outer(np.outer(V_r, V_t), V_p)
 
     def vtk_grid(self, filename=None):
+        """Creates a VTK object of the mesh
+
+        Args:
+            filename (str, optional): Name of the vtk file to write =
+                (must end with .vtk). Defaults to None.
+
+        Returns:
+            vtk.vtkStructuredGrid: the VTK object
+        """
+        # FIXME
         raise NotImplementedError("vtk_grid not implemented for SphericalMesh")
 
 

From 913bc99564b97490d90152aa68ed9a65838bdc3e Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Wed, 29 Jun 2022 11:33:17 +0200
Subject: [PATCH 0475/2654] minor refactore

---
 openmc/mesh.py | 7 ++-----
 1 file changed, 2 insertions(+), 5 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index f6e395328..d89a980ac 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -1108,15 +1108,12 @@ class CylindricalMesh(StructuredMesh):
         import vtk
         from vtk.util import numpy_support as nps
 
-        r_vals = self.r_grid
-        phi_vals = self.phi_grid
-        z_vals = self.z_grid
         vtk_grid = vtk.vtkStructuredGrid()
 
-        vtk_grid.SetDimensions(len(r_vals), len(phi_vals), len(z_vals))
+        vtk_grid.SetDimensions(len(self.r_grid), len(self.phi_grid), len(self.z_grid))
 
         # create points
-        pts_cylindrical = np.array([[r, phi, z] for z in z_vals for phi in phi_vals for r in r_vals])
+        pts_cylindrical = np.array([[r, phi, z] for z in self.z_grid for phi in self.phi_grid for r in self.r_grid])
         pts_cartesian = np.copy(pts_cylindrical)
         r, phi, z = pts_cylindrical[:, 0], pts_cylindrical[:, 1], pts_cylindrical[:, 2]
         pts_cartesian[:, 0] = r * np.cos(phi)

From aeb66509098b597a5cd53fca88d5e21096c691a0 Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Wed, 29 Jun 2022 11:54:52 +0200
Subject: [PATCH 0476/2654] implemented spherical grid

---
 openmc/mesh.py | 29 +++++++++++++++++++++++++++--
 1 file changed, 27 insertions(+), 2 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index d89a980ac..260ed5f43 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -1334,8 +1334,33 @@ class SphericalMesh(StructuredMesh):
         Returns:
             vtk.vtkStructuredGrid: the VTK object
         """
-        # FIXME
-        raise NotImplementedError("vtk_grid not implemented for SphericalMesh")
+        import vtk
+        from vtk.util import numpy_support as nps
+
+        vtk_grid = vtk.vtkStructuredGrid()
+
+        vtk_grid.SetDimensions(len(self.r_grid), len(self.theta_grid), len(self.phi_grid))
+
+        # create points
+        pts_cylindrical = np.array([[r, theta, phi] for phi in self.phi_grid for theta in self.theta_grid for r in self.r_grid])
+        pts_cartesian = np.copy(pts_cylindrical)
+        r, theta, phi = pts_cylindrical[:, 0], pts_cylindrical[:, 1], pts_cylindrical[:, 2]
+        pts_cartesian[:, 0] = r * np.sin(phi) * np.cos(theta)
+        pts_cartesian[:, 1] = r * np.sin(phi) * np.sin(theta)
+        pts_cartesian[:, 2] = r * np.cos(phi)
+
+        vtkPts = vtk.vtkPoints()
+        vtkPts.SetData(nps.numpy_to_vtk(pts_cartesian, deep=True))
+        vtk_grid.SetPoints(vtkPts)
+
+        if filename:
+            # write the .vtk file
+            writer = vtk.vtkStructuredGridWriter()
+            writer.SetFileName(filename)
+            writer.SetInputData(vtk_grid)
+            writer.Write()
+
+        return vtk_grid
 
 
 class UnstructuredMesh(MeshBase):

From 7de718a85c1ceaa0a6c485184829357d0f5c6372 Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Wed, 29 Jun 2022 11:56:32 +0200
Subject: [PATCH 0477/2654] adapted tests

---
 tests/unit_tests/test_tallies.py | 21 ++++++---------------
 1 file changed, 6 insertions(+), 15 deletions(-)

diff --git a/tests/unit_tests/test_tallies.py b/tests/unit_tests/test_tallies.py
index e49596f6d..e3f9a486d 100644
--- a/tests/unit_tests/test_tallies.py
+++ b/tests/unit_tests/test_tallies.py
@@ -76,7 +76,12 @@ rectilinear_mesh.x_grid = np.linspace(0, 1)
 rectilinear_mesh.y_grid = np.linspace(0, 1)
 rectilinear_mesh.z_grid = np.linspace(0, 1)
 
-@pytest.mark.parametrize("mesh", [cylinder_mesh, regular_mesh, rectilinear_mesh])
+spherical_mesh = openmc.SphericalMesh()
+spherical_mesh.r_grid = np.linspace(1, 2)
+spherical_mesh.phi_grid = np.linspace(1, 2)
+spherical_mesh.theta_grid = np.linspace(1, 2)
+
+@pytest.mark.parametrize("mesh", [cylinder_mesh, regular_mesh, rectilinear_mesh, spherical_mesh])
 def test_write_to_vtk(mesh, tmpdir):
     # build
     tally = openmc.Tally()
@@ -97,17 +102,3 @@ def test_write_to_vtk_raises_error_when_no_meshfilter():
     expected_err_msg = "write_to_vtk requires a MeshFilter in the tally filters"
     with pytest.raises(ValueError, match=expected_err_msg):
         tally.write_to_vtk("out.vtk")
-
-
-def test_voxel_to_vtk_raises_error_with_wrong_mesh():
-    # build
-    tally = openmc.Tally()
-    spherical_mesh = openmc.SphericalMesh()
-    spherical_mesh.r_grid = np.linspace(1, 2)
-    spherical_mesh.phi_grid = np.linspace(1, 2)
-    spherical_mesh.theta_grid = np.linspace(1, 2)
-    tally.filters = [openmc.MeshFilter(spherical_mesh)]
-    # test
-    expected_err_msg = "vtk_grid not implemented for SphericalMesh"
-    with pytest.raises(NotImplementedError, match=expected_err_msg):
-        tally.write_to_vtk("out.vtk")
\ No newline at end of file

From 0f23bf2109505f1ebb2de692552f096b25a5e93b Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Wed, 29 Jun 2022 12:21:59 +0200
Subject: [PATCH 0478/2654] write_data_to_vtk SphericalMesh

---
 openmc/mesh.py | 41 ++++++++++++++++++++++++++++++++++-------
 1 file changed, 34 insertions(+), 7 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 260ed5f43..c780827ea 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -1324,7 +1324,7 @@ class SphericalMesh(StructuredMesh):
 
         return np.multiply.outer(np.outer(V_r, V_t), V_p)
 
-    def vtk_grid(self, filename=None):
+    def write_data_to_vtk(self, filename, datasets, volume_normalization=True):
         """Creates a VTK object of the mesh
 
         Args:
@@ -1337,6 +1337,19 @@ class SphericalMesh(StructuredMesh):
         import vtk
         from vtk.util import numpy_support as nps
 
+        if self.volumes is None and volume_normalization:
+            raise RuntimeError("No volume data is present on this "
+                               "unstructured mesh. Please load the "
+                               " mesh information from a statepoint file.")
+
+        # check that the data sets are appropriately sized
+        for label, dataset in datasets.items():
+            if isinstance(dataset, np.ndarray):
+                assert dataset.size == self.dimension[0] * self.dimension[1]* self.dimension[2]
+            else:
+                assert len(dataset) == self.dimension[0] * self.dimension[1]* self.dimension[2]
+            cv.check_type('label', label, str)
+
         vtk_grid = vtk.vtkStructuredGrid()
 
         vtk_grid.SetDimensions(len(self.r_grid), len(self.theta_grid), len(self.phi_grid))
@@ -1353,12 +1366,26 @@ class SphericalMesh(StructuredMesh):
         vtkPts.SetData(nps.numpy_to_vtk(pts_cartesian, deep=True))
         vtk_grid.SetPoints(vtkPts)
 
-        if filename:
-            # write the .vtk file
-            writer = vtk.vtkStructuredGridWriter()
-            writer.SetFileName(filename)
-            writer.SetInputData(vtk_grid)
-            writer.Write()
+        # create VTK arrays for each of
+        # the data sets
+        for label, dataset in datasets.items():
+            dataset = np.asarray(dataset).flatten()
+
+            if volume_normalization:
+                dataset /= self.volumes.flatten()
+
+            dataset_array = vtk.vtkDoubleArray()
+            dataset_array.SetName(label)
+            dataset_array.SetArray(nps.numpy_to_vtk(dataset),
+                           dataset.size,
+                           True)
+            vtk_grid.GetCellData().AddArray(dataset_array)
+
+        # write the .vtk file
+        writer = vtk.vtkStructuredGridWriter()
+        writer.SetFileName(filename)
+        writer.SetInputData(vtk_grid)
+        writer.Write()
 
         return vtk_grid
 

From 15cc2a0804d3fa146bf6e337f4987ae634490513 Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Wed, 29 Jun 2022 12:23:55 +0200
Subject: [PATCH 0479/2654] fixed variable name

---
 openmc/mesh.py | 6 +++---
 1 file changed, 3 insertions(+), 3 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index c780827ea..3dbc170d6 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -1355,9 +1355,9 @@ class SphericalMesh(StructuredMesh):
         vtk_grid.SetDimensions(len(self.r_grid), len(self.theta_grid), len(self.phi_grid))
 
         # create points
-        pts_cylindrical = np.array([[r, theta, phi] for phi in self.phi_grid for theta in self.theta_grid for r in self.r_grid])
-        pts_cartesian = np.copy(pts_cylindrical)
-        r, theta, phi = pts_cylindrical[:, 0], pts_cylindrical[:, 1], pts_cylindrical[:, 2]
+        pts_spherical = np.array([[r, theta, phi] for phi in self.phi_grid for theta in self.theta_grid for r in self.r_grid])
+        pts_cartesian = np.copy(pts_spherical)
+        r, theta, phi = pts_spherical[:, 0], pts_spherical[:, 1], pts_spherical[:, 2]
         pts_cartesian[:, 0] = r * np.sin(phi) * np.cos(theta)
         pts_cartesian[:, 1] = r * np.sin(phi) * np.sin(theta)
         pts_cartesian[:, 2] = r * np.cos(phi)

From 3b1d1756e4716e5e70f58a3142dc7efaed2d7913 Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Wed, 29 Jun 2022 12:26:29 +0200
Subject: [PATCH 0480/2654] write_data_to_vtk CylindricalMesh

---
 openmc/mesh.py | 41 ++++++++++++++++++++++++++++++++++-------
 1 file changed, 34 insertions(+), 7 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 3dbc170d6..029d714f0 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -1095,7 +1095,7 @@ class CylindricalMesh(StructuredMesh):
 
         return np.multiply.outer(np.outer(V_r, V_p), V_z)
 
-    def vtk_grid(self, filename=None):
+    def write_data_to_vtk(self, filename, datasets, volume_normalization=True):
         """Creates a VTK object of the mesh
 
         Args:
@@ -1108,6 +1108,19 @@ class CylindricalMesh(StructuredMesh):
         import vtk
         from vtk.util import numpy_support as nps
 
+        if self.volumes is None and volume_normalization:
+            raise RuntimeError("No volume data is present on this "
+                               "unstructured mesh. Please load the "
+                               " mesh information from a statepoint file.")
+
+        # check that the data sets are appropriately sized
+        for label, dataset in datasets.items():
+            if isinstance(dataset, np.ndarray):
+                assert dataset.size == self.dimension[0] * self.dimension[1]* self.dimension[2]
+            else:
+                assert len(dataset) == self.dimension[0] * self.dimension[1]* self.dimension[2]
+            cv.check_type('label', label, str)
+
         vtk_grid = vtk.vtkStructuredGrid()
 
         vtk_grid.SetDimensions(len(self.r_grid), len(self.phi_grid), len(self.z_grid))
@@ -1124,12 +1137,26 @@ class CylindricalMesh(StructuredMesh):
         vtkPts.SetData(nps.numpy_to_vtk(pts_cartesian, deep=True))
         vtk_grid.SetPoints(vtkPts)
 
-        if filename:
-            # write the .vtk file
-            writer = vtk.vtkStructuredGridWriter()
-            writer.SetFileName(filename)
-            writer.SetInputData(vtk_grid)
-            writer.Write()
+        # create VTK arrays for each of
+        # the data sets
+        for label, dataset in datasets.items():
+            dataset = np.asarray(dataset).flatten()
+
+            if volume_normalization:
+                dataset /= self.volumes.flatten()
+
+            dataset_array = vtk.vtkDoubleArray()
+            dataset_array.SetName(label)
+            dataset_array.SetArray(nps.numpy_to_vtk(dataset),
+                           dataset.size,
+                           True)
+            vtk_grid.GetCellData().AddArray(dataset_array)
+
+
+        writer = vtk.vtkStructuredGridWriter()
+        writer.SetFileName(filename)
+        writer.SetInputData(vtk_grid)
+        writer.Write()
 
         return vtk_grid
 

From 722b572dc314ba3dc5802da57a43e0d124323556 Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Wed, 29 Jun 2022 12:31:35 +0200
Subject: [PATCH 0481/2654] write_data_to_vtk RegularMesh

---
 openmc/mesh.py | 41 ++++++++++++++++++++++++++++++++++-------
 1 file changed, 34 insertions(+), 7 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 029d714f0..179e9a171 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -622,7 +622,7 @@ class RegularMesh(StructuredMesh):
 
         return root_cell, cells
     
-    def vtk_grid(self, filename=None):
+    def write_data_to_vtk(self, filename, datasets, volume_normalization=True):
         """Creates a VTK object of the mesh
 
         Args:
@@ -635,6 +635,19 @@ class RegularMesh(StructuredMesh):
         import vtk
         from vtk.util import numpy_support as nps
 
+        if self.volumes is None and volume_normalization:
+            raise RuntimeError("No volume data is present on this "
+                               "unstructured mesh. Please load the "
+                               " mesh information from a statepoint file.")
+
+        # check that the data sets are appropriately sized
+        for label, dataset in datasets.items():
+            if isinstance(dataset, np.ndarray):
+                assert dataset.size == self.dimension[0] * self.dimension[1] * self.dimension[2]
+            else:
+                assert len(dataset) == self.dimension[0] * self.dimension[1] * self.dimension[2]
+            cv.check_type('label', label, str)
+
         x_vals = np.linspace(
             self.lower_left[0],
             self.upper_right[0],
@@ -661,12 +674,26 @@ class RegularMesh(StructuredMesh):
         vtkPts.SetData(nps.numpy_to_vtk(pts_cartesian, deep=True))
         vtk_grid.SetPoints(vtkPts)
 
-        if filename:
-            # write the .vtk file
-            writer = vtk.vtkStructuredGridWriter()
-            writer.SetFileName(filename)
-            writer.SetInputData(vtk_grid)
-            writer.Write()
+        # create VTK arrays for each of
+        # the data sets
+        for label, dataset in datasets.items():
+            dataset = np.asarray(dataset).flatten()
+
+            if volume_normalization:
+                dataset /= self.volumes.flatten()
+
+            dataset_array = vtk.vtkDoubleArray()
+            dataset_array.SetName(label)
+            dataset_array.SetArray(nps.numpy_to_vtk(dataset),
+                           dataset.size,
+                           True)
+            vtk_grid.GetCellData().AddArray(dataset_array)
+
+        # write the .vtk file
+        writer = vtk.vtkStructuredGridWriter()
+        writer.SetFileName(filename)
+        writer.SetInputData(vtk_grid)
+        writer.Write()
 
         return vtk_grid
 

From 5ecac76b6960f635f375fd48f3cb567733073d3f Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Wed, 29 Jun 2022 12:34:05 +0200
Subject: [PATCH 0482/2654] write_data_to_vtk rectilinear mesh

---
 openmc/mesh.py | 41 ++++++++++++++++++++++++++++++++++-------
 1 file changed, 34 insertions(+), 7 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 179e9a171..db2e1593c 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -895,7 +895,7 @@ class RectilinearMesh(StructuredMesh):
 
         return element
 
-    def vtk_grid(self, filename=None):
+    def write_data_to_vtk(self, filename, datasets, volume_normalization=True):
         """Creates a VTK object of the mesh
 
         Args:
@@ -908,6 +908,19 @@ class RectilinearMesh(StructuredMesh):
         import vtk
         from vtk.util import numpy_support as nps
 
+        if self.volumes is None and volume_normalization:
+            raise RuntimeError("No volume data is present on this "
+                               "unstructured mesh. Please load the "
+                               " mesh information from a statepoint file.")
+
+        # check that the data sets are appropriately sized
+        for label, dataset in datasets.items():
+            if isinstance(dataset, np.ndarray):
+                assert dataset.size == self.dimension[0] * self.dimension[1]* self.dimension[2]
+            else:
+                assert len(dataset) == self.dimension[0] * self.dimension[1]* self.dimension[2]
+            cv.check_type('label', label, str)
+
         x_vals = self.x_grid
         y_vals = self.y_grid
         z_vals = self.z_grid
@@ -922,12 +935,26 @@ class RectilinearMesh(StructuredMesh):
         vtkPts.SetData(nps.numpy_to_vtk(pts_cartesian, deep=True))
         vtk_grid.SetPoints(vtkPts)
 
-        if filename:
-            # write the .vtk file
-            writer = vtk.vtkStructuredGridWriter()
-            writer.SetFileName(filename)
-            writer.SetInputData(vtk_grid)
-            writer.Write()
+        # create VTK arrays for each of
+        # the data sets
+        for label, dataset in datasets.items():
+            dataset = np.asarray(dataset).flatten()
+
+            if volume_normalization:
+                dataset /= self.volumes.flatten()
+
+            dataset_array = vtk.vtkDoubleArray()
+            dataset_array.SetName(label)
+            dataset_array.SetArray(nps.numpy_to_vtk(dataset),
+                           dataset.size,
+                           True)
+            vtk_grid.GetCellData().AddArray(dataset_array)
+
+        # write the .vtk file
+        writer = vtk.vtkStructuredGridWriter()
+        writer.SetFileName(filename)
+        writer.SetInputData(vtk_grid)
+        writer.Write()
 
         return vtk_grid
 

From 3233ffc759708b6df7a12c8234404897fa329e51 Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Wed, 29 Jun 2022 12:34:58 +0200
Subject: [PATCH 0483/2654] removed Tally.write_to_vtk

---
 openmc/tallies.py | 48 -----------------------------------------------
 1 file changed, 48 deletions(-)

diff --git a/openmc/tallies.py b/openmc/tallies.py
index e67365df6..d0355f14e 100644
--- a/openmc/tallies.py
+++ b/openmc/tallies.py
@@ -3013,54 +3013,6 @@ class Tally(IDManagerMixin):
         new_tally.sparse = self.sparse
         return new_tally
 
-    def write_to_vtk(self, filename):
-        """Writes the tally to a vtk file
-
-        Args:
-            filename (str): the filename (must end with .vtk)
-
-        Raises:
-            ValueError: if no MeshFilter was found
-        """
-        try:
-            import vtk
-        except ModuleNotFoundError:
-            msg = 'Python package vtk was not found, please install vtk to use Tally.write_to_vtk.'
-            raise ModuleNotFoundError(msg)
-        except ImportError as err:
-            raise err
-
-        # check that tally has a MeshFilter
-        mesh = None
-        for f in self.filters:
-            if isinstance(f, openmc.MeshFilter):
-                mesh = f.mesh
-                break
-
-        if not mesh:
-            raise ValueError(
-                "write_to_vtk requires a MeshFilter in the tally filters"
-            )
-
-        vtk_grid = mesh.vtk_grid()
-
-        # add mean and std dev data
-        mean_array = vtk.vtkDoubleArray()
-        mean_array.SetName("mean")
-        mean_array.SetArray(self.mean, self.mean.size, True)
-        vtk_grid.GetCellData().AddArray(mean_array)
-
-        std_dev_array = vtk.vtkDoubleArray()
-        std_dev_array.SetName("std_dev")
-        std_dev_array.SetArray(self.std_dev, self.std_dev.size, True)
-        vtk_grid.GetCellData().AddArray(std_dev_array)
-
-        # write the .vtk file
-        writer = vtk.vtkStructuredGridWriter()
-        writer.SetFileName(filename)
-        writer.SetInputData(vtk_grid)
-        writer.Write()
-
 
 class Tallies(cv.CheckedList):
     """Collection of Tallies used for an OpenMC simulation.

From c58465214b96f7245979f792f4bf98201551e560 Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Wed, 29 Jun 2022 13:01:47 +0200
Subject: [PATCH 0484/2654] removed tally tests

---
 tests/unit_tests/test_tallies.py | 63 --------------------------------
 1 file changed, 63 deletions(-)

diff --git a/tests/unit_tests/test_tallies.py b/tests/unit_tests/test_tallies.py
index e3f9a486d..bfff741a9 100644
--- a/tests/unit_tests/test_tallies.py
+++ b/tests/unit_tests/test_tallies.py
@@ -1,7 +1,4 @@
 import numpy as np
-import pytest
-import vtk
-from os.path import exists
 
 import openmc
 
@@ -42,63 +39,3 @@ def test_xml_roundtrip(run_in_tmpdir):
     assert new_tally.triggers[0].trigger_type == tally.triggers[0].trigger_type
     assert new_tally.triggers[0].threshold == tally.triggers[0].threshold
     assert new_tally.triggers[0].scores == tally.triggers[0].scores
-
-def run_dummy_sim(tally):
-    mat = openmc.Material()
-    mat.add_nuclide('Zr90', 1.0)
-    mat.set_density('g/cm3', 1.0)
-
-    model = openmc.Model()
-    sph = openmc.Sphere(r=25.0, boundary_type='vacuum')
-    cell = openmc.Cell(fill=mat, region=-sph)
-    model.geometry = openmc.Geometry([cell])
-
-    model.settings.run_mode = 'fixed source'
-    model.settings.batches = 2
-    model.settings.particles = 50
-
-    model.tallies = openmc.Tallies([tally])
-
-    model.run()
-
-cylinder_mesh = openmc.CylindricalMesh()
-cylinder_mesh.r_grid = np.linspace(1, 2, num=30)
-cylinder_mesh.phi_grid = np.linspace(0, np.pi / 2, num=50)
-cylinder_mesh.z_grid = np.linspace(0, 1, num=30)
-
-regular_mesh = openmc.RegularMesh()
-regular_mesh.lower_left = [0, 0, 0]
-regular_mesh.upper_right = [1, 1, 1]
-regular_mesh.dimension = [10, 5, 6]
-
-rectilinear_mesh = openmc.RectilinearMesh()
-rectilinear_mesh.x_grid = np.linspace(0, 1)
-rectilinear_mesh.y_grid = np.linspace(0, 1)
-rectilinear_mesh.z_grid = np.linspace(0, 1)
-
-spherical_mesh = openmc.SphericalMesh()
-spherical_mesh.r_grid = np.linspace(1, 2)
-spherical_mesh.phi_grid = np.linspace(1, 2)
-spherical_mesh.theta_grid = np.linspace(1, 2)
-
-@pytest.mark.parametrize("mesh", [cylinder_mesh, regular_mesh, rectilinear_mesh, spherical_mesh])
-def test_write_to_vtk(mesh, tmpdir):
-    # build
-    tally = openmc.Tally()
-    tally.filters = [openmc.MeshFilter(mesh)]
-    filename = tmpdir / "out.vtk"
-    run_dummy_sim(tally)
-    # run
-    tally.write_to_vtk(filename)
-    # test
-    assert exists(filename)
-
-
-def test_write_to_vtk_raises_error_when_no_meshfilter():
-    # build
-    tally = openmc.Tally()
-
-    # test
-    expected_err_msg = "write_to_vtk requires a MeshFilter in the tally filters"
-    with pytest.raises(ValueError, match=expected_err_msg):
-        tally.write_to_vtk("out.vtk")

From 15b98ea541fd27f6e02b5939bd482155cf44b56b Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Wed, 29 Jun 2022 13:02:12 +0200
Subject: [PATCH 0485/2654] added a test to meshes

---
 tests/unit_tests/test_mesh_to_vtk.py | 35 ++++++++++++++++++++++++++++
 1 file changed, 35 insertions(+)
 create mode 100644 tests/unit_tests/test_mesh_to_vtk.py

diff --git a/tests/unit_tests/test_mesh_to_vtk.py b/tests/unit_tests/test_mesh_to_vtk.py
new file mode 100644
index 000000000..b5c8ca60a
--- /dev/null
+++ b/tests/unit_tests/test_mesh_to_vtk.py
@@ -0,0 +1,35 @@
+import numpy as np
+from os.path import exists
+import pytest
+
+import openmc
+
+
+regular_mesh = openmc.RegularMesh()
+regular_mesh.lower_left = (0, 0, 0)
+regular_mesh.upper_right = (1, 1, 1)
+regular_mesh.dimension = [30, 20, 10]
+
+rectilinear_mesh = openmc.RectilinearMesh()
+rectilinear_mesh.x_grid = np.linspace(1, 2, num=30)
+rectilinear_mesh.y_grid = np.linspace(1, 2, num=30)
+rectilinear_mesh.z_grid = np.linspace(1, 2, num=30)
+
+cylinder_mesh = openmc.CylindricalMesh()
+cylinder_mesh.r_grid = np.linspace(1, 2, num=30)
+cylinder_mesh.phi_grid = np.linspace(0, np.pi, num=50)
+cylinder_mesh.z_grid = np.linspace(0, 1, num=30)
+
+spherical_mesh = openmc.SphericalMesh()
+spherical_mesh.r_grid = np.linspace(1, 2, num=30)
+spherical_mesh.phi_grid = np.linspace(0, np.pi, num=50)
+spherical_mesh.theta_grid = np.linspace(0, np.pi / 2, num=30)
+
+@pytest.mark.parametrize("mesh", [cylinder_mesh, regular_mesh, rectilinear_mesh, spherical_mesh])
+def test_write_data_to_vtk(mesh, tmpdir):
+    filename = tmpdir / "out.vtk"
+
+    data = np.random.random(mesh.dimension[0]*mesh.dimension[1]*mesh.dimension[2])
+
+    mesh.write_data_to_vtk(filename=filename, datasets={"label": data})
+    assert exists(filename)
\ No newline at end of file

From 5174145c1ec9daacac8cfcd33e4b9212d9889fa1 Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Wed, 29 Jun 2022 13:21:36 +0200
Subject: [PATCH 0486/2654] added checks to test

---
 tests/unit_tests/test_mesh_to_vtk.py | 27 +++++++++++++++++++++++++--
 1 file changed, 25 insertions(+), 2 deletions(-)

diff --git a/tests/unit_tests/test_mesh_to_vtk.py b/tests/unit_tests/test_mesh_to_vtk.py
index b5c8ca60a..e487b3668 100644
--- a/tests/unit_tests/test_mesh_to_vtk.py
+++ b/tests/unit_tests/test_mesh_to_vtk.py
@@ -1,6 +1,8 @@
 import numpy as np
 from os.path import exists
 import pytest
+import vtk
+from vtk.util import numpy_support as nps
 
 import openmc
 
@@ -27,9 +29,30 @@ spherical_mesh.theta_grid = np.linspace(0, np.pi / 2, num=30)
 
 @pytest.mark.parametrize("mesh", [cylinder_mesh, regular_mesh, rectilinear_mesh, spherical_mesh])
 def test_write_data_to_vtk(mesh, tmpdir):
+    # BUILD
     filename = tmpdir / "out.vtk"
 
     data = np.random.random(mesh.dimension[0]*mesh.dimension[1]*mesh.dimension[2])
 
-    mesh.write_data_to_vtk(filename=filename, datasets={"label": data})
-    assert exists(filename)
\ No newline at end of file
+    # RUN
+    mesh.write_data_to_vtk(filename=filename, datasets={"label1": data, "label2": data})
+
+    # TEST
+    assert exists(filename)
+
+    # read file
+    reader = vtk.vtkStructuredGridReader()
+    reader.SetFileName(filename)
+    reader.Update()
+
+    # check name of datasets
+    vtk_grid = reader.GetOutput()
+    array1 = vtk_grid.GetCellData().GetArray(0)
+    array2 = vtk_grid.GetCellData().GetArray(1)
+
+    assert array1.GetName() == "label1"
+    assert array2.GetName() == "label2"
+
+    # check size of datasets
+    assert nps.vtk_to_numpy(array1).size == data.size
+    assert nps.vtk_to_numpy(array2).size == data.size
\ No newline at end of file

From 5603e328b8650e874b2cf0235bba6fe792850129 Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Wed, 29 Jun 2022 13:24:44 +0200
Subject: [PATCH 0487/2654] docstrings

---
 openmc/mesh.py | 48 ++++++++++++++++++++++++++++++++++++++++--------
 1 file changed, 40 insertions(+), 8 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index db2e1593c..1372c5196 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -626,8 +626,16 @@ class RegularMesh(StructuredMesh):
         """Creates a VTK object of the mesh
 
         Args:
-            filename (str, optional): Name of the vtk file to write =
-                (must end with .vtk). Defaults to None.
+            filename (str): Name of the VTK file to write.
+            datasets (dict): Dictionary whose keys are the data labels
+                and values are the data sets.
+            volume_normalization (bool, optional): Whether or not to
+                normalize the data by the volume of the mesh elements.
+                Defaults to True.
+
+        Raises:
+            RuntimeError: when no volume data is found and volume_normalisation
+                is required
 
         Returns:
             vtk.vtkStructuredGrid: the VTK object
@@ -899,8 +907,16 @@ class RectilinearMesh(StructuredMesh):
         """Creates a VTK object of the mesh
 
         Args:
-            filename (str, optional): Name of the vtk file to write =
-                (must end with .vtk). Defaults to None.
+            filename (str): Name of the VTK file to write.
+            datasets (dict): Dictionary whose keys are the data labels
+                and values are the data sets.
+            volume_normalization (bool, optional): Whether or not to
+                normalize the data by the volume of the mesh elements.
+                Defaults to True.
+
+        Raises:
+            RuntimeError: when no volume data is found and volume_normalisation
+                is required
 
         Returns:
             vtk.vtkStructuredGrid: the VTK object
@@ -1153,8 +1169,16 @@ class CylindricalMesh(StructuredMesh):
         """Creates a VTK object of the mesh
 
         Args:
-            filename (str, optional): Name of the vtk file to write =
-                (must end with .vtk). Defaults to None.
+            filename (str): Name of the VTK file to write.
+            datasets (dict): Dictionary whose keys are the data labels
+                and values are the data sets.
+            volume_normalization (bool, optional): Whether or not to
+                normalize the data by the volume of the mesh elements.
+                Defaults to True.
+
+        Raises:
+            RuntimeError: when no volume data is found and volume_normalisation
+                is required
 
         Returns:
             vtk.vtkStructuredGrid: the VTK object
@@ -1409,8 +1433,16 @@ class SphericalMesh(StructuredMesh):
         """Creates a VTK object of the mesh
 
         Args:
-            filename (str, optional): Name of the vtk file to write =
-                (must end with .vtk). Defaults to None.
+            filename (str): Name of the VTK file to write.
+            datasets (dict): Dictionary whose keys are the data labels
+                and values are the data sets.
+            volume_normalization (bool, optional): Whether or not to
+                normalize the data by the volume of the mesh elements.
+                Defaults to True.
+
+        Raises:
+            RuntimeError: when no volume data is found and volume_normalisation
+                is required
 
         Returns:
             vtk.vtkStructuredGrid: the VTK object

From c77eb6097d6584820256ad497520273669299f9a Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Wed, 29 Jun 2022 14:18:31 +0200
Subject: [PATCH 0488/2654] removed check volume for structured meshes

---
 openmc/mesh.py | 36 ------------------------------------
 1 file changed, 36 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 1372c5196..a63834941 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -633,21 +633,12 @@ class RegularMesh(StructuredMesh):
                 normalize the data by the volume of the mesh elements.
                 Defaults to True.
 
-        Raises:
-            RuntimeError: when no volume data is found and volume_normalisation
-                is required
-
         Returns:
             vtk.vtkStructuredGrid: the VTK object
         """
         import vtk
         from vtk.util import numpy_support as nps
 
-        if self.volumes is None and volume_normalization:
-            raise RuntimeError("No volume data is present on this "
-                               "unstructured mesh. Please load the "
-                               " mesh information from a statepoint file.")
-
         # check that the data sets are appropriately sized
         for label, dataset in datasets.items():
             if isinstance(dataset, np.ndarray):
@@ -914,21 +905,12 @@ class RectilinearMesh(StructuredMesh):
                 normalize the data by the volume of the mesh elements.
                 Defaults to True.
 
-        Raises:
-            RuntimeError: when no volume data is found and volume_normalisation
-                is required
-
         Returns:
             vtk.vtkStructuredGrid: the VTK object
         """
         import vtk
         from vtk.util import numpy_support as nps
 
-        if self.volumes is None and volume_normalization:
-            raise RuntimeError("No volume data is present on this "
-                               "unstructured mesh. Please load the "
-                               " mesh information from a statepoint file.")
-
         # check that the data sets are appropriately sized
         for label, dataset in datasets.items():
             if isinstance(dataset, np.ndarray):
@@ -1176,21 +1158,12 @@ class CylindricalMesh(StructuredMesh):
                 normalize the data by the volume of the mesh elements.
                 Defaults to True.
 
-        Raises:
-            RuntimeError: when no volume data is found and volume_normalisation
-                is required
-
         Returns:
             vtk.vtkStructuredGrid: the VTK object
         """
         import vtk
         from vtk.util import numpy_support as nps
 
-        if self.volumes is None and volume_normalization:
-            raise RuntimeError("No volume data is present on this "
-                               "unstructured mesh. Please load the "
-                               " mesh information from a statepoint file.")
-
         # check that the data sets are appropriately sized
         for label, dataset in datasets.items():
             if isinstance(dataset, np.ndarray):
@@ -1440,21 +1413,12 @@ class SphericalMesh(StructuredMesh):
                 normalize the data by the volume of the mesh elements.
                 Defaults to True.
 
-        Raises:
-            RuntimeError: when no volume data is found and volume_normalisation
-                is required
-
         Returns:
             vtk.vtkStructuredGrid: the VTK object
         """
         import vtk
         from vtk.util import numpy_support as nps
 
-        if self.volumes is None and volume_normalization:
-            raise RuntimeError("No volume data is present on this "
-                               "unstructured mesh. Please load the "
-                               " mesh information from a statepoint file.")
-
         # check that the data sets are appropriately sized
         for label, dataset in datasets.items():
             if isinstance(dataset, np.ndarray):

From 1a7c0791bf92e46475343323d7ac0b939bcb9a5a Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Wed, 29 Jun 2022 14:19:12 +0200
Subject: [PATCH 0489/2654] z is unchanged

---
 openmc/mesh.py | 3 +--
 1 file changed, 1 insertion(+), 2 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index a63834941..1ccb6e86e 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -1179,10 +1179,9 @@ class CylindricalMesh(StructuredMesh):
         # create points
         pts_cylindrical = np.array([[r, phi, z] for z in self.z_grid for phi in self.phi_grid for r in self.r_grid])
         pts_cartesian = np.copy(pts_cylindrical)
-        r, phi, z = pts_cylindrical[:, 0], pts_cylindrical[:, 1], pts_cylindrical[:, 2]
+        r, phi = pts_cylindrical[:, 0], pts_cylindrical[:, 1]
         pts_cartesian[:, 0] = r * np.cos(phi)
         pts_cartesian[:, 1] = r * np.sin(phi)
-        pts_cartesian[:, 2] = z
 
         vtkPts = vtk.vtkPoints()
         vtkPts.SetData(nps.numpy_to_vtk(pts_cartesian, deep=True))

From 9867a4340abbbd2fa093acb1fd04ed1745ab6513 Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?R=C3=A9mi=20Delaporte-Mathurin?=
 <40028739+RemDelaporteMathurin@users.noreply.github.com>
Date: Wed, 29 Jun 2022 14:19:56 +0200
Subject: [PATCH 0490/2654] [skip ci] use .num_mesh_cells

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 tests/unit_tests/test_mesh_to_vtk.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/tests/unit_tests/test_mesh_to_vtk.py b/tests/unit_tests/test_mesh_to_vtk.py
index e487b3668..b57235edd 100644
--- a/tests/unit_tests/test_mesh_to_vtk.py
+++ b/tests/unit_tests/test_mesh_to_vtk.py
@@ -32,7 +32,7 @@ def test_write_data_to_vtk(mesh, tmpdir):
     # BUILD
     filename = tmpdir / "out.vtk"
 
-    data = np.random.random(mesh.dimension[0]*mesh.dimension[1]*mesh.dimension[2])
+    data = np.random.random(mesh.num_mesh_cells)
 
     # RUN
     mesh.write_data_to_vtk(filename=filename, datasets={"label1": data, "label2": data})

From 7e074fe354fc60887c8c4d6540c28e1a6a338ebc Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?R=C3=A9mi=20Delaporte-Mathurin?=
 <40028739+RemDelaporteMathurin@users.noreply.github.com>
Date: Wed, 29 Jun 2022 14:20:17 +0200
Subject: [PATCH 0491/2654] [skip ci] str(filename)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/mesh.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 1372c5196..e024710b4 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -699,7 +699,7 @@ class RegularMesh(StructuredMesh):
 
         # write the .vtk file
         writer = vtk.vtkStructuredGridWriter()
-        writer.SetFileName(filename)
+        writer.SetFileName(str(filename))
         writer.SetInputData(vtk_grid)
         writer.Write()
 

From 1155ffb739d8a80e5520c1013596864874a57cf5 Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Wed, 29 Jun 2022 14:21:15 +0200
Subject: [PATCH 0492/2654] added pathlib import

---
 tests/unit_tests/test_mesh_to_vtk.py | 1 +
 1 file changed, 1 insertion(+)

diff --git a/tests/unit_tests/test_mesh_to_vtk.py b/tests/unit_tests/test_mesh_to_vtk.py
index e487b3668..cfb0407ca 100644
--- a/tests/unit_tests/test_mesh_to_vtk.py
+++ b/tests/unit_tests/test_mesh_to_vtk.py
@@ -1,5 +1,6 @@
 import numpy as np
 from os.path import exists
+from pathlib import Path
 import pytest
 import vtk
 from vtk.util import numpy_support as nps

From aeeb078344023ebb47ec7238b763c89a541a05fa Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?R=C3=A9mi=20Delaporte-Mathurin?=
 <40028739+RemDelaporteMathurin@users.noreply.github.com>
Date: Wed, 29 Jun 2022 14:22:01 +0200
Subject: [PATCH 0493/2654] [skip ci] pathlib instead of os

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 tests/unit_tests/test_mesh_to_vtk.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/tests/unit_tests/test_mesh_to_vtk.py b/tests/unit_tests/test_mesh_to_vtk.py
index b57235edd..3b7ccf9fa 100644
--- a/tests/unit_tests/test_mesh_to_vtk.py
+++ b/tests/unit_tests/test_mesh_to_vtk.py
@@ -30,7 +30,7 @@ spherical_mesh.theta_grid = np.linspace(0, np.pi / 2, num=30)
 @pytest.mark.parametrize("mesh", [cylinder_mesh, regular_mesh, rectilinear_mesh, spherical_mesh])
 def test_write_data_to_vtk(mesh, tmpdir):
     # BUILD
-    filename = tmpdir / "out.vtk"
+    filename = Path(tmpdir) / "out.vtk"
 
     data = np.random.random(mesh.num_mesh_cells)
 

From f99e93b5839f4166972fa8e83d93de6eccb5b619 Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?R=C3=A9mi=20Delaporte-Mathurin?=
 <40028739+RemDelaporteMathurin@users.noreply.github.com>
Date: Wed, 29 Jun 2022 14:22:26 +0200
Subject: [PATCH 0494/2654] [skip ci] is_file() instead of exists()

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 tests/unit_tests/test_mesh_to_vtk.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/tests/unit_tests/test_mesh_to_vtk.py b/tests/unit_tests/test_mesh_to_vtk.py
index 3b7ccf9fa..31fbd4c88 100644
--- a/tests/unit_tests/test_mesh_to_vtk.py
+++ b/tests/unit_tests/test_mesh_to_vtk.py
@@ -38,7 +38,7 @@ def test_write_data_to_vtk(mesh, tmpdir):
     mesh.write_data_to_vtk(filename=filename, datasets={"label1": data, "label2": data})
 
     # TEST
-    assert exists(filename)
+    assert filename.is_file()
 
     # read file
     reader = vtk.vtkStructuredGridReader()

From 1266e433c8bd3f525e6b1ea9bafef174238be09c Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Wed, 29 Jun 2022 14:23:06 +0200
Subject: [PATCH 0495/2654] removed unused import

---
 tests/unit_tests/test_mesh_to_vtk.py | 1 -
 1 file changed, 1 deletion(-)

diff --git a/tests/unit_tests/test_mesh_to_vtk.py b/tests/unit_tests/test_mesh_to_vtk.py
index 572834f84..5da62cdef 100644
--- a/tests/unit_tests/test_mesh_to_vtk.py
+++ b/tests/unit_tests/test_mesh_to_vtk.py
@@ -1,5 +1,4 @@
 import numpy as np
-from os.path import exists
 from pathlib import Path
 import pytest
 import vtk

From 58ccb82cf50a5ba76e622f96969ba4db6752a885 Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Wed, 29 Jun 2022 14:26:27 +0200
Subject: [PATCH 0496/2654] back to .dimension

---
 tests/unit_tests/test_mesh_to_vtk.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/tests/unit_tests/test_mesh_to_vtk.py b/tests/unit_tests/test_mesh_to_vtk.py
index 5da62cdef..451c869c2 100644
--- a/tests/unit_tests/test_mesh_to_vtk.py
+++ b/tests/unit_tests/test_mesh_to_vtk.py
@@ -32,7 +32,7 @@ def test_write_data_to_vtk(mesh, tmpdir):
     # BUILD
     filename = Path(tmpdir) / "out.vtk"
 
-    data = np.random.random(mesh.num_mesh_cells)
+    data = np.random.random(mesh.dimension[0]*mesh.dimension[1]*mesh.dimension[2])
 
     # RUN
     mesh.write_data_to_vtk(filename=filename, datasets={"label1": data, "label2": data})

From 890c3ad0d58fa59532dc143e56c0100e4540fd0d Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Wed, 29 Jun 2022 14:26:46 +0200
Subject: [PATCH 0497/2654] pytest.importorskip

---
 tests/unit_tests/test_mesh_to_vtk.py | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/tests/unit_tests/test_mesh_to_vtk.py b/tests/unit_tests/test_mesh_to_vtk.py
index 451c869c2..f651f5acb 100644
--- a/tests/unit_tests/test_mesh_to_vtk.py
+++ b/tests/unit_tests/test_mesh_to_vtk.py
@@ -1,7 +1,8 @@
 import numpy as np
 from pathlib import Path
 import pytest
-import vtk
+
+vtk = pytest.importorskip("vtk")
 from vtk.util import numpy_support as nps
 
 import openmc

From 48a0d15b1aa6bbbfa2f3b3c85252a9d05c923028 Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Wed, 29 Jun 2022 14:36:54 +0200
Subject: [PATCH 0498/2654] added error raise + new test

---
 openmc/mesh.py                       | 53 ++++++++++++++++++++++------
 tests/unit_tests/test_mesh_to_vtk.py | 17 ++++++++-
 2 files changed, 59 insertions(+), 11 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index b883a4a09..ada69887a 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -635,16 +635,22 @@ class RegularMesh(StructuredMesh):
 
         Returns:
             vtk.vtkStructuredGrid: the VTK object
+        
+        Raises:
+            RuntimeError: when the size of a dataset doesn't match the number of cells 
         """
         import vtk
         from vtk.util import numpy_support as nps
 
         # check that the data sets are appropriately sized
+        errmsg = "The size of the dataset {} should be equal to the number of cells"
         for label, dataset in datasets.items():
             if isinstance(dataset, np.ndarray):
-                assert dataset.size == self.dimension[0] * self.dimension[1] * self.dimension[2]
+                if not dataset.size == self.dimension[0] * self.dimension[1]* self.dimension[2]:
+                    raise RuntimeError(errmsg.format(label))
             else:
-                assert len(dataset) == self.dimension[0] * self.dimension[1] * self.dimension[2]
+                if len(dataset) == self.dimension[0] * self.dimension[1]* self.dimension[2]:
+                    raise RuntimeError(errmsg.format(label))
             cv.check_type('label', label, str)
 
         x_vals = np.linspace(
@@ -907,16 +913,22 @@ class RectilinearMesh(StructuredMesh):
 
         Returns:
             vtk.vtkStructuredGrid: the VTK object
+
+        Raises:
+            RuntimeError: when the size of a dataset doesn't match the number of cells 
         """
         import vtk
         from vtk.util import numpy_support as nps
 
         # check that the data sets are appropriately sized
+        errmsg = "The size of the dataset {} should be equal to the number of cells"
         for label, dataset in datasets.items():
             if isinstance(dataset, np.ndarray):
-                assert dataset.size == self.dimension[0] * self.dimension[1]* self.dimension[2]
+                if not dataset.size == self.dimension[0] * self.dimension[1]* self.dimension[2]:
+                    raise RuntimeError(errmsg.format(label))
             else:
-                assert len(dataset) == self.dimension[0] * self.dimension[1]* self.dimension[2]
+                if len(dataset) == self.dimension[0] * self.dimension[1]* self.dimension[2]:
+                    raise RuntimeError(errmsg.format(label))
             cv.check_type('label', label, str)
 
         x_vals = self.x_grid
@@ -1160,16 +1172,22 @@ class CylindricalMesh(StructuredMesh):
 
         Returns:
             vtk.vtkStructuredGrid: the VTK object
+
+        Raises:
+            RuntimeError: when the size of a dataset doesn't match the number of cells 
         """
         import vtk
         from vtk.util import numpy_support as nps
 
         # check that the data sets are appropriately sized
+        errmsg = "The size of the dataset {} should be equal to the number of cells"
         for label, dataset in datasets.items():
             if isinstance(dataset, np.ndarray):
-                assert dataset.size == self.dimension[0] * self.dimension[1]* self.dimension[2]
+                if not dataset.size == self.dimension[0] * self.dimension[1]* self.dimension[2]:
+                    raise RuntimeError(errmsg.format(label))
             else:
-                assert len(dataset) == self.dimension[0] * self.dimension[1]* self.dimension[2]
+                if len(dataset) == self.dimension[0] * self.dimension[1]* self.dimension[2]:
+                    raise RuntimeError(errmsg.format(label))
             cv.check_type('label', label, str)
 
         vtk_grid = vtk.vtkStructuredGrid()
@@ -1414,16 +1432,23 @@ class SphericalMesh(StructuredMesh):
 
         Returns:
             vtk.vtkStructuredGrid: the VTK object
+
+        Raises:
+            RuntimeError: when the size of a dataset doesn't match the number of cells 
         """
         import vtk
         from vtk.util import numpy_support as nps
 
         # check that the data sets are appropriately sized
+        errmsg = "The size of the dataset {} should be equal to the number of cells"
         for label, dataset in datasets.items():
             if isinstance(dataset, np.ndarray):
-                assert dataset.size == self.dimension[0] * self.dimension[1]* self.dimension[2]
+                if not dataset.size == self.dimension[0] * self.dimension[1]* self.dimension[2]:
+                    raise RuntimeError(errmsg.format(label))
             else:
-                assert len(dataset) == self.dimension[0] * self.dimension[1]* self.dimension[2]
+                if len(dataset) == self.dimension[0] * self.dimension[1]* self.dimension[2]:
+                    raise RuntimeError(errmsg.format(label))
+
             cv.check_type('label', label, str)
 
         vtk_grid = vtk.vtkStructuredGrid()
@@ -1642,6 +1667,11 @@ class UnstructuredMesh(MeshBase):
         volume_normalization : bool
             Whether or not to normalize the data by the
             volume of the mesh elements
+
+        Raises
+        ------
+            RuntimeError
+                when the size of a dataset doesn't match the number of cells 
         """
 
         import vtk
@@ -1658,11 +1688,14 @@ class UnstructuredMesh(MeshBase):
                                " mesh information from a statepoint file.")
 
         # check that the data sets are appropriately sized
+        errmsg = "The size of the dataset {} should be equal to the number of cells"
         for label, dataset in datasets.items():
             if isinstance(dataset, np.ndarray):
-                assert dataset.size == self.n_elements
+                if not dataset.size == self.dimension[0] * self.dimension[1]* self.dimension[2]:
+                    raise RuntimeError(errmsg.format(label))
             else:
-                assert len(dataset) == self.n_elements
+                if len(dataset) == self.dimension[0] * self.dimension[1]* self.dimension[2]:
+                    raise RuntimeError(errmsg.format(label))
             cv.check_type('label', label, str)
 
         # create data arrays for the cells/points
diff --git a/tests/unit_tests/test_mesh_to_vtk.py b/tests/unit_tests/test_mesh_to_vtk.py
index f651f5acb..9022feecd 100644
--- a/tests/unit_tests/test_mesh_to_vtk.py
+++ b/tests/unit_tests/test_mesh_to_vtk.py
@@ -56,4 +56,19 @@ def test_write_data_to_vtk(mesh, tmpdir):
 
     # check size of datasets
     assert nps.vtk_to_numpy(array1).size == data.size
-    assert nps.vtk_to_numpy(array2).size == data.size
\ No newline at end of file
+    assert nps.vtk_to_numpy(array2).size == data.size
+
+@pytest.mark.parametrize("mesh", [cylinder_mesh, regular_mesh, rectilinear_mesh, spherical_mesh])
+def test_write_data_to_vtk_size_mismatch(mesh):
+    """Checks that an error is raised when the size of the dataset
+    doesn't match the mesh number of cells
+
+    Args:
+        mesh (openmc.StructuredMesh): the mesh to test
+    """
+    right_size = mesh.dimension[0]*mesh.dimension[1]*mesh.dimension[2]
+    data = np.random.random(right_size + 1)
+
+    expected_error_msg = "The size of the dataset label should be equal to the number of cells"
+    with pytest.raises(RuntimeError, match=expected_error_msg):
+        mesh.write_data_to_vtk(filename="out.vtk", datasets={"label": data})
\ No newline at end of file

From 8857b769324f299ad410926b2542c7b7a24a895f Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Wed, 29 Jun 2022 14:50:28 +0200
Subject: [PATCH 0499/2654] refactored by adding
 StructuredMesh.write_data_to_vtk()

---
 openmc/mesh.py | 260 +++++++++++++------------------------------------
 1 file changed, 70 insertions(+), 190 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index ada69887a..5083b215c 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -193,6 +193,51 @@ class StructuredMesh(MeshBase):
         s1 = (slice(1, None),)*ndim + (slice(None),)
         return (vertices[s0] + vertices[s1]) / 2
 
+    def write_data_to_vtk(self, points, filename, datasets, volume_normalization=True):
+        import vtk
+        from vtk.util import numpy_support as nps
+
+        # check that the data sets are appropriately sized
+        errmsg = "The size of the dataset {} should be equal to the number of cells"
+        for label, dataset in datasets.items():
+            if isinstance(dataset, np.ndarray):
+                if not dataset.size == self.dimension[0] * self.dimension[1]* self.dimension[2]:
+                    raise RuntimeError(errmsg.format(label))
+            else:
+                if len(dataset) == self.dimension[0] * self.dimension[1]* self.dimension[2]:
+                    raise RuntimeError(errmsg.format(label))
+            cv.check_type('label', label, str)
+
+        vtk_grid = vtk.vtkStructuredGrid()
+
+        vtk_grid.SetDimensions(*self.dimension)
+
+        vtkPts = vtk.vtkPoints()
+        vtkPts.SetData(nps.numpy_to_vtk(points, deep=True))
+        vtk_grid.SetPoints(vtkPts)
+
+        # create VTK arrays for each of
+        # the data sets
+        for label, dataset in datasets.items():
+            dataset = np.asarray(dataset).flatten()
+
+            if volume_normalization:
+                dataset /= self.volumes.flatten()
+
+            dataset_array = vtk.vtkDoubleArray()
+            dataset_array.SetName(label)
+            dataset_array.SetArray(nps.numpy_to_vtk(dataset),
+                           dataset.size,
+                           True)
+            vtk_grid.GetCellData().AddArray(dataset_array)
+
+        # write the .vtk file
+        writer = vtk.vtkStructuredGridWriter()
+        writer.SetFileName(str(filename))
+        writer.SetInputData(vtk_grid)
+        writer.Write()
+
+        return vtk_grid
 
 class RegularMesh(StructuredMesh):
     """A regular Cartesian mesh in one, two, or three dimensions
@@ -635,23 +680,7 @@ class RegularMesh(StructuredMesh):
 
         Returns:
             vtk.vtkStructuredGrid: the VTK object
-        
-        Raises:
-            RuntimeError: when the size of a dataset doesn't match the number of cells 
         """
-        import vtk
-        from vtk.util import numpy_support as nps
-
-        # check that the data sets are appropriately sized
-        errmsg = "The size of the dataset {} should be equal to the number of cells"
-        for label, dataset in datasets.items():
-            if isinstance(dataset, np.ndarray):
-                if not dataset.size == self.dimension[0] * self.dimension[1]* self.dimension[2]:
-                    raise RuntimeError(errmsg.format(label))
-            else:
-                if len(dataset) == self.dimension[0] * self.dimension[1]* self.dimension[2]:
-                    raise RuntimeError(errmsg.format(label))
-            cv.check_type('label', label, str)
 
         x_vals = np.linspace(
             self.lower_left[0],
@@ -668,39 +697,16 @@ class RegularMesh(StructuredMesh):
             self.upper_right[2],
             num=self.dimension[2] + 1,
         )
-        vtk_grid = vtk.vtkStructuredGrid()
-
-        vtk_grid.SetDimensions(len(x_vals), len(y_vals), len(z_vals))
 
         # create points
         pts_cartesian = np.array([[x, y, z] for z in z_vals for y in y_vals for x in x_vals])
 
-        vtkPts = vtk.vtkPoints()
-        vtkPts.SetData(nps.numpy_to_vtk(pts_cartesian, deep=True))
-        vtk_grid.SetPoints(vtkPts)
-
-        # create VTK arrays for each of
-        # the data sets
-        for label, dataset in datasets.items():
-            dataset = np.asarray(dataset).flatten()
-
-            if volume_normalization:
-                dataset /= self.volumes.flatten()
-
-            dataset_array = vtk.vtkDoubleArray()
-            dataset_array.SetName(label)
-            dataset_array.SetArray(nps.numpy_to_vtk(dataset),
-                           dataset.size,
-                           True)
-            vtk_grid.GetCellData().AddArray(dataset_array)
-
-        # write the .vtk file
-        writer = vtk.vtkStructuredGridWriter()
-        writer.SetFileName(str(filename))
-        writer.SetInputData(vtk_grid)
-        writer.Write()
-
-        return vtk_grid
+        return super().write_data_to_vtk(
+            points=pts_cartesian,
+            filename=filename,
+            datasets=datasets,
+            volume_normalization=volume_normalization
+        )
 
 def Mesh(*args, **kwargs):
     warnings.warn("Mesh has been renamed RegularMesh. Future versions of "
@@ -913,60 +919,16 @@ class RectilinearMesh(StructuredMesh):
 
         Returns:
             vtk.vtkStructuredGrid: the VTK object
-
-        Raises:
-            RuntimeError: when the size of a dataset doesn't match the number of cells 
         """
-        import vtk
-        from vtk.util import numpy_support as nps
-
-        # check that the data sets are appropriately sized
-        errmsg = "The size of the dataset {} should be equal to the number of cells"
-        for label, dataset in datasets.items():
-            if isinstance(dataset, np.ndarray):
-                if not dataset.size == self.dimension[0] * self.dimension[1]* self.dimension[2]:
-                    raise RuntimeError(errmsg.format(label))
-            else:
-                if len(dataset) == self.dimension[0] * self.dimension[1]* self.dimension[2]:
-                    raise RuntimeError(errmsg.format(label))
-            cv.check_type('label', label, str)
-
-        x_vals = self.x_grid
-        y_vals = self.y_grid
-        z_vals = self.z_grid
-        vtk_grid = vtk.vtkStructuredGrid()
-
-        vtk_grid.SetDimensions(len(x_vals), len(y_vals), len(z_vals))
-
         # create points
-        pts_cartesian = np.array([[x, y, z] for z in z_vals for y in y_vals for x in x_vals])
+        pts_cartesian = np.array([[x, y, z] for z in self.z_grid for y in self.y_grid for x in self.x_grid])
 
-        vtkPts = vtk.vtkPoints()
-        vtkPts.SetData(nps.numpy_to_vtk(pts_cartesian, deep=True))
-        vtk_grid.SetPoints(vtkPts)
-
-        # create VTK arrays for each of
-        # the data sets
-        for label, dataset in datasets.items():
-            dataset = np.asarray(dataset).flatten()
-
-            if volume_normalization:
-                dataset /= self.volumes.flatten()
-
-            dataset_array = vtk.vtkDoubleArray()
-            dataset_array.SetName(label)
-            dataset_array.SetArray(nps.numpy_to_vtk(dataset),
-                           dataset.size,
-                           True)
-            vtk_grid.GetCellData().AddArray(dataset_array)
-
-        # write the .vtk file
-        writer = vtk.vtkStructuredGridWriter()
-        writer.SetFileName(filename)
-        writer.SetInputData(vtk_grid)
-        writer.Write()
-
-        return vtk_grid
+        return super().write_data_to_vtk(
+            points=pts_cartesian,
+            filename=filename,
+            datasets=datasets,
+            volume_normalization=volume_normalization
+        )
 
 
 class CylindricalMesh(StructuredMesh):
@@ -1172,28 +1134,7 @@ class CylindricalMesh(StructuredMesh):
 
         Returns:
             vtk.vtkStructuredGrid: the VTK object
-
-        Raises:
-            RuntimeError: when the size of a dataset doesn't match the number of cells 
         """
-        import vtk
-        from vtk.util import numpy_support as nps
-
-        # check that the data sets are appropriately sized
-        errmsg = "The size of the dataset {} should be equal to the number of cells"
-        for label, dataset in datasets.items():
-            if isinstance(dataset, np.ndarray):
-                if not dataset.size == self.dimension[0] * self.dimension[1]* self.dimension[2]:
-                    raise RuntimeError(errmsg.format(label))
-            else:
-                if len(dataset) == self.dimension[0] * self.dimension[1]* self.dimension[2]:
-                    raise RuntimeError(errmsg.format(label))
-            cv.check_type('label', label, str)
-
-        vtk_grid = vtk.vtkStructuredGrid()
-
-        vtk_grid.SetDimensions(len(self.r_grid), len(self.phi_grid), len(self.z_grid))
-
         # create points
         pts_cylindrical = np.array([[r, phi, z] for z in self.z_grid for phi in self.phi_grid for r in self.r_grid])
         pts_cartesian = np.copy(pts_cylindrical)
@@ -1201,32 +1142,12 @@ class CylindricalMesh(StructuredMesh):
         pts_cartesian[:, 0] = r * np.cos(phi)
         pts_cartesian[:, 1] = r * np.sin(phi)
 
-        vtkPts = vtk.vtkPoints()
-        vtkPts.SetData(nps.numpy_to_vtk(pts_cartesian, deep=True))
-        vtk_grid.SetPoints(vtkPts)
-
-        # create VTK arrays for each of
-        # the data sets
-        for label, dataset in datasets.items():
-            dataset = np.asarray(dataset).flatten()
-
-            if volume_normalization:
-                dataset /= self.volumes.flatten()
-
-            dataset_array = vtk.vtkDoubleArray()
-            dataset_array.SetName(label)
-            dataset_array.SetArray(nps.numpy_to_vtk(dataset),
-                           dataset.size,
-                           True)
-            vtk_grid.GetCellData().AddArray(dataset_array)
-
-
-        writer = vtk.vtkStructuredGridWriter()
-        writer.SetFileName(filename)
-        writer.SetInputData(vtk_grid)
-        writer.Write()
-
-        return vtk_grid
+        return super().write_data_to_vtk(
+            points=pts_cartesian,
+            filename=filename,
+            datasets=datasets,
+            volume_normalization=volume_normalization
+        )
 
 class SphericalMesh(StructuredMesh):
     """A 3D spherical mesh
@@ -1432,28 +1353,7 @@ class SphericalMesh(StructuredMesh):
 
         Returns:
             vtk.vtkStructuredGrid: the VTK object
-
-        Raises:
-            RuntimeError: when the size of a dataset doesn't match the number of cells 
         """
-        import vtk
-        from vtk.util import numpy_support as nps
-
-        # check that the data sets are appropriately sized
-        errmsg = "The size of the dataset {} should be equal to the number of cells"
-        for label, dataset in datasets.items():
-            if isinstance(dataset, np.ndarray):
-                if not dataset.size == self.dimension[0] * self.dimension[1]* self.dimension[2]:
-                    raise RuntimeError(errmsg.format(label))
-            else:
-                if len(dataset) == self.dimension[0] * self.dimension[1]* self.dimension[2]:
-                    raise RuntimeError(errmsg.format(label))
-
-            cv.check_type('label', label, str)
-
-        vtk_grid = vtk.vtkStructuredGrid()
-
-        vtk_grid.SetDimensions(len(self.r_grid), len(self.theta_grid), len(self.phi_grid))
 
         # create points
         pts_spherical = np.array([[r, theta, phi] for phi in self.phi_grid for theta in self.theta_grid for r in self.r_grid])
@@ -1463,32 +1363,12 @@ class SphericalMesh(StructuredMesh):
         pts_cartesian[:, 1] = r * np.sin(phi) * np.sin(theta)
         pts_cartesian[:, 2] = r * np.cos(phi)
 
-        vtkPts = vtk.vtkPoints()
-        vtkPts.SetData(nps.numpy_to_vtk(pts_cartesian, deep=True))
-        vtk_grid.SetPoints(vtkPts)
-
-        # create VTK arrays for each of
-        # the data sets
-        for label, dataset in datasets.items():
-            dataset = np.asarray(dataset).flatten()
-
-            if volume_normalization:
-                dataset /= self.volumes.flatten()
-
-            dataset_array = vtk.vtkDoubleArray()
-            dataset_array.SetName(label)
-            dataset_array.SetArray(nps.numpy_to_vtk(dataset),
-                           dataset.size,
-                           True)
-            vtk_grid.GetCellData().AddArray(dataset_array)
-
-        # write the .vtk file
-        writer = vtk.vtkStructuredGridWriter()
-        writer.SetFileName(filename)
-        writer.SetInputData(vtk_grid)
-        writer.Write()
-
-        return vtk_grid
+        return super().write_data_to_vtk(
+            points=pts_cartesian,
+            filename=filename,
+            datasets=datasets,
+            volume_normalization=volume_normalization
+        )
 
 
 class UnstructuredMesh(MeshBase):

From 0c4de41f5076acbd93efaad6cdb970e26c890964 Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Wed, 29 Jun 2022 14:56:27 +0200
Subject: [PATCH 0500/2654] docstrings

---
 openmc/mesh.py | 18 ++++++++++++++++++
 1 file changed, 18 insertions(+)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 5083b215c..449edb8d6 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -194,6 +194,24 @@ class StructuredMesh(MeshBase):
         return (vertices[s0] + vertices[s1]) / 2
 
     def write_data_to_vtk(self, points, filename, datasets, volume_normalization=True):
+        """Creates a VTK object of the mesh
+
+        Args:
+            points (list or np.array): List of (X,Y,Y) tuples.
+            filename (str): Name of the VTK file to write.
+            datasets (dict): Dictionary whose keys are the data labels
+                and values are the data sets.
+            volume_normalization (bool, optional): Whether or not to
+                normalize the data by the volume of the mesh elements.
+                Defaults to True.
+
+        Raises:
+            RuntimeError: when the size of a dataset doesn't match the number of cells
+
+        Returns:
+            vtk.vtkStructuredGrid: the VTK object
+        """
+
         import vtk
         from vtk.util import numpy_support as nps
 

From ad73f03a0d712311b0d5ef80f0456d2c35b61dbe Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Wed, 29 Jun 2022 15:02:20 +0200
Subject: [PATCH 0501/2654] converted docstrings to numpy style

---
 openmc/mesh.py | 129 +++++++++++++++++++++++++++++++------------------
 1 file changed, 81 insertions(+), 48 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 449edb8d6..aa338f97e 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -196,20 +196,29 @@ class StructuredMesh(MeshBase):
     def write_data_to_vtk(self, points, filename, datasets, volume_normalization=True):
         """Creates a VTK object of the mesh
 
-        Args:
-            points (list or np.array): List of (X,Y,Y) tuples.
-            filename (str): Name of the VTK file to write.
-            datasets (dict): Dictionary whose keys are the data labels
-                and values are the data sets.
-            volume_normalization (bool, optional): Whether or not to
-                normalize the data by the volume of the mesh elements.
-                Defaults to True.
+        Parameters
+        ----------
+        points : list or np.array
+            List of (X,Y,Y) tuples.
+        filename : str
+            Name of the VTK file to write.
+        datasets : dict
+            Dictionary whose keys are the data labels
+            and values are the data sets.
+        volume_normalization : bool, optional
+            Whether or not to normalize the data by
+            the volume of the mesh elements.
+            Defaults to True.
 
-        Raises:
-            RuntimeError: when the size of a dataset doesn't match the number of cells
+        Raises
+        ------
+        RuntimeError
+            When the size of a dataset doesn't match the number of cells
 
-        Returns:
-            vtk.vtkStructuredGrid: the VTK object
+        Returns
+        -------
+        vtk.vtkStructuredGrid
+            the VTK object
         """
 
         import vtk
@@ -688,16 +697,22 @@ class RegularMesh(StructuredMesh):
     def write_data_to_vtk(self, filename, datasets, volume_normalization=True):
         """Creates a VTK object of the mesh
 
-        Args:
-            filename (str): Name of the VTK file to write.
-            datasets (dict): Dictionary whose keys are the data labels
-                and values are the data sets.
-            volume_normalization (bool, optional): Whether or not to
-                normalize the data by the volume of the mesh elements.
-                Defaults to True.
+        Parameters
+        ----------
+        filename : str
+            Name of the VTK file to write.
+        datasets : dict
+            Dictionary whose keys are the data labels
+            and values are the data sets.
+        volume_normalization : bool, optional
+            Whether or not to normalize the data by
+            the volume of the mesh elements.
+            Defaults to True.
 
-        Returns:
-            vtk.vtkStructuredGrid: the VTK object
+        Returns
+        -------
+        vtk.vtkStructuredGrid
+            the VTK object
         """
 
         x_vals = np.linspace(
@@ -927,16 +942,22 @@ class RectilinearMesh(StructuredMesh):
     def write_data_to_vtk(self, filename, datasets, volume_normalization=True):
         """Creates a VTK object of the mesh
 
-        Args:
-            filename (str): Name of the VTK file to write.
-            datasets (dict): Dictionary whose keys are the data labels
-                and values are the data sets.
-            volume_normalization (bool, optional): Whether or not to
-                normalize the data by the volume of the mesh elements.
-                Defaults to True.
+        Parameters
+        ----------
+        filename : str
+            Name of the VTK file to write.
+        datasets : dict
+            Dictionary whose keys are the data labels
+            and values are the data sets.
+        volume_normalization : bool, optional
+            Whether or not to normalize the data by
+            the volume of the mesh elements.
+            Defaults to True.
 
-        Returns:
-            vtk.vtkStructuredGrid: the VTK object
+        Returns
+        -------
+        vtk.vtkStructuredGrid
+            the VTK object
         """
         # create points
         pts_cartesian = np.array([[x, y, z] for z in self.z_grid for y in self.y_grid for x in self.x_grid])
@@ -1142,16 +1163,22 @@ class CylindricalMesh(StructuredMesh):
     def write_data_to_vtk(self, filename, datasets, volume_normalization=True):
         """Creates a VTK object of the mesh
 
-        Args:
-            filename (str): Name of the VTK file to write.
-            datasets (dict): Dictionary whose keys are the data labels
-                and values are the data sets.
-            volume_normalization (bool, optional): Whether or not to
-                normalize the data by the volume of the mesh elements.
-                Defaults to True.
+        Parameters
+        ----------
+        filename : str
+            Name of the VTK file to write.
+        datasets : dict
+            Dictionary whose keys are the data labels
+            and values are the data sets.
+        volume_normalization : bool, optional
+            Whether or not to normalize the data by
+            the volume of the mesh elements.
+            Defaults to True.
 
-        Returns:
-            vtk.vtkStructuredGrid: the VTK object
+        Returns
+        -------
+        vtk.vtkStructuredGrid
+            the VTK object
         """
         # create points
         pts_cylindrical = np.array([[r, phi, z] for z in self.z_grid for phi in self.phi_grid for r in self.r_grid])
@@ -1361,16 +1388,22 @@ class SphericalMesh(StructuredMesh):
     def write_data_to_vtk(self, filename, datasets, volume_normalization=True):
         """Creates a VTK object of the mesh
 
-        Args:
-            filename (str): Name of the VTK file to write.
-            datasets (dict): Dictionary whose keys are the data labels
-                and values are the data sets.
-            volume_normalization (bool, optional): Whether or not to
-                normalize the data by the volume of the mesh elements.
-                Defaults to True.
+        Parameters
+        ----------
+        filename : str
+            Name of the VTK file to write.
+        datasets : dict
+            Dictionary whose keys are the data labels
+            and values are the data sets.
+        volume_normalization : bool, optional
+            Whether or not to normalize the data by
+            the volume of the mesh elements.
+            Defaults to True.
 
-        Returns:
-            vtk.vtkStructuredGrid: the VTK object
+        Returns
+        -------
+        vtk.vtkStructuredGrid
+            the VTK object
         """
 
         # create points

From a2299063f5b4061a2eb2cd762004439fadbab57c Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Wed, 29 Jun 2022 15:02:52 +0200
Subject: [PATCH 0502/2654] converted docstrings to numpy style

---
 tests/unit_tests/test_mesh_to_vtk.py | 6 ++++--
 1 file changed, 4 insertions(+), 2 deletions(-)

diff --git a/tests/unit_tests/test_mesh_to_vtk.py b/tests/unit_tests/test_mesh_to_vtk.py
index 9022feecd..9247540a0 100644
--- a/tests/unit_tests/test_mesh_to_vtk.py
+++ b/tests/unit_tests/test_mesh_to_vtk.py
@@ -63,8 +63,10 @@ def test_write_data_to_vtk_size_mismatch(mesh):
     """Checks that an error is raised when the size of the dataset
     doesn't match the mesh number of cells
 
-    Args:
-        mesh (openmc.StructuredMesh): the mesh to test
+    Parameters
+    ----------
+    mesh : openmc.StructuredMesh
+        The mesh to test
     """
     right_size = mesh.dimension[0]*mesh.dimension[1]*mesh.dimension[2]
     data = np.random.random(right_size + 1)

From d80bf7bdb596a7169f0e28d42b363d1886c43448 Mon Sep 17 00:00:00 2001
From: Patrick Myers <90068356+myerspat@users.noreply.github.com>
Date: Wed, 29 Jun 2022 09:25:59 -0500
Subject: [PATCH 0503/2654] Added comments explaining reasoning for 2D xtensor
 xs in photon.h

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 include/openmc/photon.h | 4 +++-
 1 file changed, 3 insertions(+), 1 deletion(-)

diff --git a/include/openmc/photon.h b/include/openmc/photon.h
index 50ee228c4..09fb3ba01 100644
--- a/include/openmc/photon.h
+++ b/include/openmc/photon.h
@@ -79,7 +79,9 @@ public:
   Tabulated1D coherent_anomalous_real_;
   Tabulated1D coherent_anomalous_imag_;
 
-  // Photoionization and atomic relaxation data
+  // Photoionization and atomic relaxation data. Subshell cross sections are
+  // stored separately to improve memory access pattern when calculating the
+  // total cross section
   vector<ElectronSubshell> shells_;
   xt::xtensor<double, 2> cross_sections_;
 

From 2c5a845897aeb973448f31cea2d9256754262e3e Mon Sep 17 00:00:00 2001
From: Patrick Myers <90068356+myerspat@users.noreply.github.com>
Date: Wed, 29 Jun 2022 09:26:36 -0500
Subject: [PATCH 0504/2654] Removed an include from photon.cpp

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 src/photon.cpp | 1 -
 1 file changed, 1 deletion(-)

diff --git a/src/photon.cpp b/src/photon.cpp
index 85bd435c9..a127ac2fe 100644
--- a/src/photon.cpp
+++ b/src/photon.cpp
@@ -17,7 +17,6 @@
 #include "xtensor/xmath.hpp"
 #include "xtensor/xoperation.hpp"
 #include "xtensor/xslice.hpp"
-#include "xtensor/xtensor_forward.hpp"
 #include "xtensor/xview.hpp"
 
 #include <cmath>

From c38ed4d8759704e829454abfc12dfa2189dd4bf1 Mon Sep 17 00:00:00 2001
From: myerspat <myerspat@umich.edu>
Date: Wed, 29 Jun 2022 09:37:18 -0500
Subject: [PATCH 0505/2654] used placeholders namespace and added comment about
 variables initialized

---
 src/photon.cpp  | 6 ++++--
 src/physics.cpp | 3 ++-
 2 files changed, 6 insertions(+), 3 deletions(-)

diff --git a/src/photon.cpp b/src/photon.cpp
index a127ac2fe..2f9bc5e3d 100644
--- a/src/photon.cpp
+++ b/src/photon.cpp
@@ -46,6 +46,8 @@ vector<unique_ptr<PhotonInteraction>> elements;
 
 PhotonInteraction::PhotonInteraction(hid_t group)
 {
+  using namespace xt::placeholders;
+
   // Set index of element in global vector
   index_ = data::elements.size();
 
@@ -164,8 +166,8 @@ PhotonInteraction::PhotonInteraction(hid_t group)
     close_dataset(dset);
     read_dataset(tgroup, "xs", xs);
 
-    auto cross_section = xt::view(
-      cross_sections_, xt::range(shell.threshold, xt::placeholders::_), i);
+    auto cross_section =
+      xt::view(cross_sections_, xt::range(shell.threshold, _), i);
     cross_section = xt::where(xs > 0, xt::log(xs), 0);
 
     if (object_exists(tgroup, "transitions")) {
diff --git a/src/physics.cpp b/src/physics.cpp
index cc712affd..bcdcf7ecf 100644
--- a/src/physics.cpp
+++ b/src/physics.cpp
@@ -347,7 +347,8 @@ void sample_photon_reaction(Particle& p)
   double prob_after = prob + micro.photoelectric;
 
   if (prob_after > cutoff) {
-
+    // Get grid index, interpolation factor, and bounding subshell
+    // cross sections
     int i_grid = micro.index_grid;
     double f = micro.interp_factor;
     const auto& xs_lower = xt::row(element.cross_sections_, i_grid);

From 7cba2ad03012658481c6edbc04f070892e90dd3f Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?R=C3=A9mi=20Delaporte-Mathurin?=
 <40028739+RemDelaporteMathurin@users.noreply.github.com>
Date: Wed, 29 Jun 2022 18:46:10 +0200
Subject: [PATCH 0506/2654] [skip ci] X Y Y typo

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/mesh.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index aa338f97e..90f4c55a9 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -199,7 +199,7 @@ class StructuredMesh(MeshBase):
         Parameters
         ----------
         points : list or np.array
-            List of (X,Y,Y) tuples.
+            List of (X,Y,Z) tuples.
         filename : str
             Name of the VTK file to write.
         datasets : dict

From 5180ab3f8a6031cfbcd708c04e7fd23f8936085a Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?R=C3=A9mi=20Delaporte-Mathurin?=
 <40028739+RemDelaporteMathurin@users.noreply.github.com>
Date: Wed, 29 Jun 2022 18:46:43 +0200
Subject: [PATCH 0507/2654] [skip ci] removed default value

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/mesh.py | 1 -
 1 file changed, 1 deletion(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 90f4c55a9..73a49bfc1 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -208,7 +208,6 @@ class StructuredMesh(MeshBase):
         volume_normalization : bool, optional
             Whether or not to normalize the data by
             the volume of the mesh elements.
-            Defaults to True.
 
         Raises
         ------

From 94ef0c40abe6f4a208aaaccad36c17ff486dd9b9 Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?R=C3=A9mi=20Delaporte-Mathurin?=
 <40028739+RemDelaporteMathurin@users.noreply.github.com>
Date: Wed, 29 Jun 2022 18:47:24 +0200
Subject: [PATCH 0508/2654] [skip ci] refactore upperright and lowerleft

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/mesh.py | 19 ++++---------------
 1 file changed, 4 insertions(+), 15 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 73a49bfc1..7155b0ba0 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -714,21 +714,10 @@ class RegularMesh(StructuredMesh):
             the VTK object
         """
 
-        x_vals = np.linspace(
-            self.lower_left[0],
-            self.upper_right[0],
-            num=self.dimension[0] + 1,
-        )
-        y_vals = np.linspace(
-            self.lower_left[1],
-            self.upper_right[1],
-            num=self.dimension[1] + 1,
-        )
-        z_vals = np.linspace(
-            self.lower_left[2],
-            self.upper_right[2],
-            num=self.dimension[2] + 1,
-        )
+        ll, ur = self.lower_left, self.upper_right
+        x_vals = np.linspace(ll[0], ur[0], num=self.dimension[0] + 1)
+        y_vals = np.linspace(ll[1], ur[1], num=self.dimension[1] + 1)
+        z_vals = np.linspace(ll[2], ur[2], num=self.dimension[2] + 1)
 
         # create points
         pts_cartesian = np.array([[x, y, z] for z in z_vals for y in y_vals for x in x_vals])

From 96c89f138daa97f78cb996449a32a88ca58754ff Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Wed, 29 Jun 2022 19:01:39 +0200
Subject: [PATCH 0509/2654] multiple lines

---
 openmc/mesh.py | 18 ++++++++++++++++--
 1 file changed, 16 insertions(+), 2 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 7155b0ba0..209002e42 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -1169,7 +1169,14 @@ class CylindricalMesh(StructuredMesh):
             the VTK object
         """
         # create points
-        pts_cylindrical = np.array([[r, phi, z] for z in self.z_grid for phi in self.phi_grid for r in self.r_grid])
+        pts_cylindrical = np.array(
+            [
+                [r, phi, z]
+                for z in self.z_grid
+                for phi in self.phi_grid
+                for r in self.r_grid
+            ]
+        )
         pts_cartesian = np.copy(pts_cylindrical)
         r, phi = pts_cylindrical[:, 0], pts_cylindrical[:, 1]
         pts_cartesian[:, 0] = r * np.cos(phi)
@@ -1395,7 +1402,14 @@ class SphericalMesh(StructuredMesh):
         """
 
         # create points
-        pts_spherical = np.array([[r, theta, phi] for phi in self.phi_grid for theta in self.theta_grid for r in self.r_grid])
+        pts_spherical = np.array(
+            [
+                [r, theta, phi]
+                for phi in self.phi_grid
+                for theta in self.theta_grid
+                for r in self.r_grid
+            ]
+        )
         pts_cartesian = np.copy(pts_spherical)
         r, theta, phi = pts_spherical[:, 0], pts_spherical[:, 1], pts_spherical[:, 2]
         pts_cartesian[:, 0] = r * np.sin(phi) * np.cos(theta)

From fabe3e607c92891ec740aefa632eba010428eef2 Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Wed, 29 Jun 2022 19:02:25 +0200
Subject: [PATCH 0510/2654] pathlib

---
 openmc/mesh.py | 10 +++++-----
 1 file changed, 5 insertions(+), 5 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 209002e42..2a53c8a91 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -698,7 +698,7 @@ class RegularMesh(StructuredMesh):
 
         Parameters
         ----------
-        filename : str
+        filename : str or pathlib.Path
             Name of the VTK file to write.
         datasets : dict
             Dictionary whose keys are the data labels
@@ -932,7 +932,7 @@ class RectilinearMesh(StructuredMesh):
 
         Parameters
         ----------
-        filename : str
+        filename : str or pathlib.Path
             Name of the VTK file to write.
         datasets : dict
             Dictionary whose keys are the data labels
@@ -1153,7 +1153,7 @@ class CylindricalMesh(StructuredMesh):
 
         Parameters
         ----------
-        filename : str
+        filename : str or pathlib.Path
             Name of the VTK file to write.
         datasets : dict
             Dictionary whose keys are the data labels
@@ -1385,7 +1385,7 @@ class SphericalMesh(StructuredMesh):
 
         Parameters
         ----------
-        filename : str
+        filename : str or pathlib.Path
             Name of the VTK file to write.
         datasets : dict
             Dictionary whose keys are the data labels
@@ -1592,7 +1592,7 @@ class UnstructuredMesh(MeshBase):
 
         Parameters
         ----------
-        filename : str
+        filename : str or pathlib.Path
             Name of the VTK file to write.
         datasets : dict
             Dictionary whose keys are the data labels

From 1ea6734a7fab225103ae857329ab587b5093c886 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Wed, 29 Jun 2022 13:16:22 -0500
Subject: [PATCH 0511/2654] remove cruft comments, clean up docstrings

---
 openmc/deplete/flux_operator.py | 38 ++++++++++-----------------------
 1 file changed, 11 insertions(+), 27 deletions(-)

diff --git a/openmc/deplete/flux_operator.py b/openmc/deplete/flux_operator.py
index 48e9fda33..be23a2dba 100644
--- a/openmc/deplete/flux_operator.py
+++ b/openmc/deplete/flux_operator.py
@@ -29,8 +29,8 @@ from .helpers import ConstantFissionYieldHelper
 
 
 class FluxSpectraDepletionOperator(TransportOperator):
-    """Depletion operator that uses a user provided flux spectrum and one-group
-    cross sections calculate reaction rates.
+    """Depletion operator that uses a user-provided flux spectrum and one-group
+    cross sections to calculate reaction rates.
 
     Instances of this class can be used to perform depletion using one group
     cross sections and constant flux. Normally, a user needn't call methods of
@@ -90,8 +90,6 @@ class FluxSpectraDepletionOperator(TransportOperator):
         The depletion chain information necessary to form matrices and tallies.
     reaction_rates : openmc.deplete.ReactionRates
         Reaction rates from the last operator step.
-    heavy_metal : float
-        Initial heavy metal inventory [g]
     prev_res : Results or None
         Results from a previous depletion calculation. ``None`` if no
         results are to be used.
@@ -159,7 +157,7 @@ class FluxSpectraDepletionOperator(TransportOperator):
 
 
     def __call__(self, vec, source_rate):
-        """Runs a simulation.
+        """Obtain the reaction rates
 
         Parameters
         ----------
@@ -177,14 +175,9 @@ class FluxSpectraDepletionOperator(TransportOperator):
 
         # Update the number densities regardless of the source rate
         self.number.set_density(vec)
-        ## TODO : make sure this function works w the current structure.
         self._update_materials()
 
-        # Update nuclides data in preparation for transport solve
-
-        ## TODO : make sure this function works w the current structure.
-        # this nuclides varibale contains all the nuclides that will show up via depletion
-        # that have xs data
+        # Get all nuclides for which we will calculate reaction rates
         rxn_nuclides = self._get_reaction_nuclides()
 
         rates = self.reaction_rates
@@ -222,13 +215,10 @@ class FluxSpectraDepletionOperator(TransportOperator):
         # Compute fission yields for this material
         fission_yields.append(self._yield_helper.weighted_yields(0))
 
-        # Accumulate energy from fission
-        #if fission_ind is not None:
-        #    self._normalization_helper.update(rxn_rates[:, fission_ind])
-
-        # Divide by total number and store
-        # the reason we do this is bc in the equation, we multiply the depletion matrix
-        # by the nuclide vector. Since what we want is the depletion matrix, we need to
+        # Divide by total number of atoms and store
+        # the reason we do this is based on the mathematical equation;
+        # in the equation, we multiply the depletion matrix by the nuclide
+        # vector. Since what we want is the depletion matrix, we need to
         # divide the reaction rates by the number of atoms to get the right units.
         mask = nonzero(number)
         results = rates[0]
@@ -236,10 +226,6 @@ class FluxSpectraDepletionOperator(TransportOperator):
             results[mask, col] /= number[mask]
         rates[0] = results
 
-        # Scale reaction rates to obtain units of reactions/sec
-        #rates *= self._normalization_helper.factor(source_rate)
-        ##
-
         # Store new fission yields on the chain
         self.chain.fission_yields = fission_yields
 
@@ -255,9 +241,6 @@ class FluxSpectraDepletionOperator(TransportOperator):
             Total density for initial conditions.
         """
 
-        #self._normalization_helper.prepare(
-        #    self.chain.nuclides, self.reaction_rates.index_nuc)
-
         # Return number density vector
         return list(self.number.get_mat_slice(np.s_[:]))
 
@@ -274,6 +257,7 @@ class FluxSpectraDepletionOperator(TransportOperator):
         step : int
             Current depletion step including restarts
         """
+        # Since we aren't running a transport simulation, we simply pass
         pass
 
 
@@ -341,7 +325,7 @@ class FluxSpectraDepletionOperator(TransportOperator):
                 # summary.h5 file contains densities at the first time step
 
     def _get_reaction_nuclides(self):
-        """Determine nuclides that should have reation rates
+        """Determine nuclides that should have reaction rates
 
         This method returns a list of all nuclides that have neutron data and
         are listed in the depletion chain. Technically, we should list nuclides
@@ -382,7 +366,7 @@ class FluxSpectraDepletionOperator(TransportOperator):
         return [nuc for nuc in nuc_list if nuc in self.chain]
 
     def _get_all_nuclides_in_simulation(self):
-        """Determine nuclides that will show up in simulation.
+        """Determine nuclides that will show up in the simulation.
         This is the union of the nuclides provided by the user and
         the nuclides present in the depletion chain.
 

From 50acd579cbfec9817c731665d8b427638f8921a9 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Wed, 29 Jun 2022 14:18:07 -0500
Subject: [PATCH 0512/2654] added convenience functions for creating the
 mirco_xs parameter

---
 openmc/deplete/flux_operator.py | 71 ++++++++++++++++++++++++++++++++-
 1 file changed, 70 insertions(+), 1 deletion(-)

diff --git a/openmc/deplete/flux_operator.py b/openmc/deplete/flux_operator.py
index be23a2dba..b74403b69 100644
--- a/openmc/deplete/flux_operator.py
+++ b/openmc/deplete/flux_operator.py
@@ -22,7 +22,7 @@ from openmc.exceptions import DataError
 from openmc.mpi import comm
 from .abc import TransportOperator, OperatorResult
 from .atom_number import AtomNumber
-from .chain import _find_chain_file
+from .chain import _find_chain_file, REACTIONS
 from .reaction_rates import ReactionRates
 from .results import Results
 from .helpers import ConstantFissionYieldHelper
@@ -288,6 +288,75 @@ class FluxSpectraDepletionOperator(TransportOperator):
         return volume, nuc_list, burn_list, burn_list
 
 
+    @staticmethod
+    def create_micro_xs_from_data_array(nuclides, reactions, data, units='barn'):
+        """
+        Creates a ``micro_xs`` parameter from a dictionary.
+
+        Parameters
+        ----------
+        nuclides : list of str
+            List of nuclide symbols for that have data for at least one
+            reaction.
+        reactions : list of str
+            List of reactions. All reactions must match those in ``chain.REACTONS``
+        data : ndarray of floats
+            Array containing one-group microscopic cross section information for each
+            nuclide and reaction.
+        units : {'barn', 'cm^2'}, optional
+            Units for microscopic cross section data. Defaults to ``barn``.
+
+        Returns
+        -------
+        micro_xs : pandas.DataFrame
+            A DataFrame object correctly formatted for use in ``FluxOperator``
+        """
+
+        # Validate inputs
+        try:
+            assert data.shape == (len(nuclides), len(reactions))
+        except AssertionError:
+            raise SyntaxError('Nuclides list of length {len(nuclides)} and
+                              reactions array of length {len(reactions)} do not
+                              match dimensions of data array of shape {data.shape}')
+
+        check_iterable_type('nuclides', nuclides, str)
+        check_iterable_type('reactions', reactions, str)
+        check_type('data', data, float, expected_iter_type=np.array)
+        check_value('reactions', reactions, chain.REACTIONS)
+
+        if units == 'barn':
+            data /= 1e24
+
+        return pd.DataFrame(index=nuclides, columns=reactions, data=data)
+
+
+    @staticmethod
+    def create_micro_xs_from_csv(csv_file, units='barn'):
+        """
+        Create the ``micro_xs`` parameter from a ``.csv`` file.
+
+        Parameters
+        ----------
+        csv_file : str
+            Relative path to csv-file containing microscopic cross section
+            data.
+        units : {'barn', 'cm^2'}, optional
+            Units for microscopic cross section data. Defaults to ``barn``.
+
+        Returns
+        -------
+        micro_xs : pandas.DataFrame
+            A DataFrame object correctly formatted for use in ``FluxOperator``
+
+        """
+        micro_xs = pd.DataFrame.read_csv(csv_file)
+        if units == 'barn':
+            micro_xs /= 1e24
+
+        return micro_xs
+
+
     def _update_materials(self):
         """Updates material compositions in OpenMC on all processes."""
 

From ecc38a1ae4ba2adc194bd0a0c61a3d088b56b242 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Wed, 29 Jun 2022 14:47:30 -0500
Subject: [PATCH 0513/2654] fix multi-line error message

---
 openmc/deplete/flux_operator.py | 6 +++---
 1 file changed, 3 insertions(+), 3 deletions(-)

diff --git a/openmc/deplete/flux_operator.py b/openmc/deplete/flux_operator.py
index b74403b69..ab6fbe565 100644
--- a/openmc/deplete/flux_operator.py
+++ b/openmc/deplete/flux_operator.py
@@ -316,9 +316,9 @@ class FluxSpectraDepletionOperator(TransportOperator):
         try:
             assert data.shape == (len(nuclides), len(reactions))
         except AssertionError:
-            raise SyntaxError('Nuclides list of length {len(nuclides)} and
-                              reactions array of length {len(reactions)} do not
-                              match dimensions of data array of shape {data.shape}')
+            raise SyntaxError('Nuclides list of length {len(nuclides)} and'
+                              'reactions array of length {len(reactions)} do not'
+                              'match dimensions of data array of shape {data.shape}')
 
         check_iterable_type('nuclides', nuclides, str)
         check_iterable_type('reactions', reactions, str)

From 5fec7a2355819039007e509d4cc365dfcf6ac928 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Wed, 29 Jun 2022 15:05:22 -0500
Subject: [PATCH 0514/2654] pep8 fixes

---
 openmc/deplete/flux_operator.py | 53 +++++++++++++++++++--------------
 1 file changed, 31 insertions(+), 22 deletions(-)

diff --git a/openmc/deplete/flux_operator.py b/openmc/deplete/flux_operator.py
index ab6fbe565..3ca046cf2 100644
--- a/openmc/deplete/flux_operator.py
+++ b/openmc/deplete/flux_operator.py
@@ -155,7 +155,6 @@ class FluxSpectraDepletionOperator(TransportOperator):
         self._yield_helper = fission_helper.from_operator(
             self, **fission_yield_opts)
 
-
     def __call__(self, vec, source_rate):
         """Obtain the reaction rates
 
@@ -207,7 +206,12 @@ class FluxSpectraDepletionOperator(TransportOperator):
         for nuc in nuclides:
             density = number.get_atom_density('0', nuc)
             for rxn in self.chain.reactions:
-                rates.set('0', nuc, rxn, self._micro_xs[rxn].loc[nuc] * density)
+                rates.set(
+                    '0',
+                    nuc,
+                    rxn,
+                    self._micro_xs[rxn].loc[nuc] *
+                    density)
 
         # Get reaction rate in reactions/sec
         rates *= self.flux_spectra
@@ -219,7 +223,8 @@ class FluxSpectraDepletionOperator(TransportOperator):
         # the reason we do this is based on the mathematical equation;
         # in the equation, we multiply the depletion matrix by the nuclide
         # vector. Since what we want is the depletion matrix, we need to
-        # divide the reaction rates by the number of atoms to get the right units.
+        # divide the reaction rates by the number of atoms to get the right
+        # units.
         mask = nonzero(number)
         results = rates[0]
         for col in range(results.shape[1]):
@@ -231,7 +236,6 @@ class FluxSpectraDepletionOperator(TransportOperator):
 
         return OperatorResult(self._keff, rates)
 
-
     def initial_condition(self):
         """Performs final setup and returns initial condition.
 
@@ -244,8 +248,6 @@ class FluxSpectraDepletionOperator(TransportOperator):
         # Return number density vector
         return list(self.number.get_mat_slice(np.s_[:]))
 
-
-
     def write_bos_data(self, step):
         """Document beginning of step data for a given step
 
@@ -260,7 +262,6 @@ class FluxSpectraDepletionOperator(TransportOperator):
         # Since we aren't running a transport simulation, we simply pass
         pass
 
-
     def get_results_info(self):
         """Returns volume list, cell lists, and nuc lists.
 
@@ -287,9 +288,9 @@ class FluxSpectraDepletionOperator(TransportOperator):
 
         return volume, nuc_list, burn_list, burn_list
 
-
     @staticmethod
-    def create_micro_xs_from_data_array(nuclides, reactions, data, units='barn'):
+    def create_micro_xs_from_data_array(
+            nuclides, reactions, data, units='barn'):
         """
         Creates a ``micro_xs`` parameter from a dictionary.
 
@@ -316,9 +317,10 @@ class FluxSpectraDepletionOperator(TransportOperator):
         try:
             assert data.shape == (len(nuclides), len(reactions))
         except AssertionError:
-            raise SyntaxError('Nuclides list of length {len(nuclides)} and'
-                              'reactions array of length {len(reactions)} do not'
-                              'match dimensions of data array of shape {data.shape}')
+            raise SyntaxError(
+                'Nuclides list of length {len(nuclides)} and'
+                'reactions array of length {len(reactions)} do not'
+                'match dimensions of data array of shape {data.shape}')
 
         check_iterable_type('nuclides', nuclides, str)
         check_iterable_type('reactions', reactions, str)
@@ -330,7 +332,6 @@ class FluxSpectraDepletionOperator(TransportOperator):
 
         return pd.DataFrame(index=nuclides, columns=reactions, data=data)
 
-
     @staticmethod
     def create_micro_xs_from_csv(csv_file, units='barn'):
         """
@@ -356,7 +357,6 @@ class FluxSpectraDepletionOperator(TransportOperator):
 
         return micro_xs
 
-
     def _update_materials(self):
         """Updates material compositions in OpenMC on all processes."""
 
@@ -383,14 +383,20 @@ class FluxSpectraDepletionOperator(TransportOperator):
                             densities.append(val)
                         else:
                             # Only output warnings if values are significantly
-                            # negative. CRAM does not guarantee positive values.
+                            # negative. CRAM does not guarantee positive
+                            # values.
                             if val < -1.0e-21:
-                                print("WARNING: nuclide ", nuc, " in material ", mat,
-                                      " is negative (density = ", val, " at/barn-cm)")
+                                print(
+                                    "WARNING: nuclide ",
+                                    nuc,
+                                    " in material ",
+                                    mat,
+                                    " is negative (density = ",
+                                    val,
+                                    " at/barn-cm)")
                             number_i[mat, nuc] = 0.0
 
-
-                #TODO Update densities on the Python side, otherwise the
+                # TODO Update densities on the Python side, otherwise the
                 # summary.h5 file contains densities at the first time step
 
     def _get_reaction_nuclides(self):
@@ -481,17 +487,20 @@ class FluxSpectraDepletionOperator(TransportOperator):
 
         if self.dilute_initial != 0.0:
             for nuc in self._burnable_nucs:
-                self.number.set_atom_density(np.s_[:], nuc, self.dilute_initial)
+                self.number.set_atom_density(
+                    np.s_[:], nuc, self.dilute_initial)
 
         # Now extract and store the number densities
         # From the geometry if no previous depletion results
         if prev_res is None:
             for nuclide in nuclides:
                 if nuclide in self._init_nuclides:
-                    self.number.set_atom_density('0', nuclide, self._init_nuclides[nuclide])
+                    self.number.set_atom_density(
+                        '0', nuclide, self._init_nuclides[nuclide])
                 elif nuclide not in self._burnable_nucs:
                     self.number.set_atom_density('0', nuclide, 0)
 
         # Else from previous depletion results
         else:
-           raise RuntimeError("Loading from previous results not yet supported")
+            raise RuntimeError(
+                "Loading from previous results not yet supported")

From 0b0265cb592685d8e6daec688229996d7b7e9f5a Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Fri, 1 Jul 2022 11:37:16 +0200
Subject: [PATCH 0515/2654] adapted tests

---
 tests/unit_tests/test_mesh_to_vtk.py | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/tests/unit_tests/test_mesh_to_vtk.py b/tests/unit_tests/test_mesh_to_vtk.py
index 9247540a0..26a393b41 100644
--- a/tests/unit_tests/test_mesh_to_vtk.py
+++ b/tests/unit_tests/test_mesh_to_vtk.py
@@ -33,7 +33,7 @@ def test_write_data_to_vtk(mesh, tmpdir):
     # BUILD
     filename = Path(tmpdir) / "out.vtk"
 
-    data = np.random.random(mesh.dimension[0]*mesh.dimension[1]*mesh.dimension[2])
+    data = np.random.random(mesh.num_mesh_cells)
 
     # RUN
     mesh.write_data_to_vtk(filename=filename, datasets={"label1": data, "label2": data})
@@ -68,7 +68,7 @@ def test_write_data_to_vtk_size_mismatch(mesh):
     mesh : openmc.StructuredMesh
         The mesh to test
     """
-    right_size = mesh.dimension[0]*mesh.dimension[1]*mesh.dimension[2]
+    right_size = mesh.num_mesh_cells
     data = np.random.random(right_size + 1)
 
     expected_error_msg = "The size of the dataset label should be equal to the number of cells"

From 9c892f04dbd36bc423a0560b72bb2da3a1b2a21a Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Fri, 1 Jul 2022 09:42:35 +0000
Subject: [PATCH 0516/2654] added num_mesh_cells property to StructuredMesh

---
 openmc/mesh.py | 5 +++++
 1 file changed, 5 insertions(+)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 2a53c8a91..925a63aee 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -193,6 +193,10 @@ class StructuredMesh(MeshBase):
         s1 = (slice(1, None),)*ndim + (slice(None),)
         return (vertices[s0] + vertices[s1]) / 2
 
+    @property
+    def num_mesh_cells(self):
+        return np.prod(self.dimension)
+
     def write_data_to_vtk(self, points, filename, datasets, volume_normalization=True):
         """Creates a VTK object of the mesh
 
@@ -1547,6 +1551,7 @@ class UnstructuredMesh(MeshBase):
                                "been loaded from a statepoint file.")
         return len(self._centroids)
 
+
     @centroids.setter
     def centroids(self, centroids):
         cv.check_type("Unstructured mesh centroids", centroids,

From 52d59a4c1a924039ca6eb790a1786fe85fce7574 Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Fri, 1 Jul 2022 09:43:44 +0000
Subject: [PATCH 0517/2654] minor refactoring

---
 openmc/mesh.py | 4 ----
 1 file changed, 4 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 925a63aee..d5a460baa 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -348,10 +348,6 @@ class RegularMesh(StructuredMesh):
                 dims =  self._dimension
                 return [(u - l) / d for u, l, d in zip(us, ls, dims)]
 
-    @property
-    def num_mesh_cells(self):
-        return np.prod(self._dimension)
-
     @property
     def volumes(self):
         """Return Volumes for every mesh cell

From bc797c4df83b906bebe454cd1c9d7a17bd52c49c Mon Sep 17 00:00:00 2001
From: erkn <erik@vonbrun.org>
Date: Tue, 5 Jul 2022 01:30:07 +0200
Subject: [PATCH 0518/2654] don't zip the output-file

---
 .../source_mcpl_file/gen_dummy_mcpl.c                | 12 ++++++------
 1 file changed, 6 insertions(+), 6 deletions(-)

diff --git a/tests/regression_tests/source_mcpl_file/gen_dummy_mcpl.c b/tests/regression_tests/source_mcpl_file/gen_dummy_mcpl.c
index 7b5a933f1..f35a07fc4 100644
--- a/tests/regression_tests/source_mcpl_file/gen_dummy_mcpl.c
+++ b/tests/regression_tests/source_mcpl_file/gen_dummy_mcpl.c
@@ -54,20 +54,20 @@ int main(int argc, char **argv){
   int i;
   for (i=0;i<batches*particles; i++){
     if(i%particles==0){
-      printf("batch number %d\n",i/particles);
+      printf("MCPL_test: generating batch number %d\n",i/particles);
     }
     /*generate a point source - i.e. x,y,z are 0*/
     particle->position[0]=0;
     particle->position[1]=0;
     particle->position[2]=0;
-    
+
     /*generate a random direction on unit sphere*/
     double nrm=2.0;
     double vx,vy,vz;
     int iter=0;
     do {
       if(iter>100){
-        printf("warning: exceeed max random vector attempts: at loop %d -> %g   %d\n",i,nrm,iter);
+        printf("Warning: Exceeded max random vector attempts: at loop %d -> %g   %d\n",i,nrm,iter);
       }
       vx=rand01()*2.0-1.0;
       vy=rand01()*2.0-1.0;
@@ -82,9 +82,9 @@ int main(int argc, char **argv){
     particle->direction[1]=vy;
     particle->direction[2]=vz;
 
-    /*generate the kinetic energy (in MeV) of the particle*/ 
+    /*generate the kinetic energy (in MeV) of the particle*/
     particle->ekin=1e-3;
- 
+
     /*set time=0*/
     particle->time=0;
     /*set weight*/
@@ -93,5 +93,5 @@ int main(int argc, char **argv){
     particle->userflags=0;
     mcpl_add_particle(outfile,particle);
   }
-  mcpl_closeandgzip_outfile(outfile);
+  mcpl_close_outfile(outfile);
 }

From 80e69b2e0856d5af025087283964fd5a03e20339 Mon Sep 17 00:00:00 2001
From: erkn <erik@vonbrun.org>
Date: Tue, 5 Jul 2022 01:53:14 +0200
Subject: [PATCH 0519/2654] now compiles fine if mcpl is indeed installed

---
 .../regression_tests/source_mcpl_file/test.py | 21 ++++++++++++-------
 1 file changed, 14 insertions(+), 7 deletions(-)

diff --git a/tests/regression_tests/source_mcpl_file/test.py b/tests/regression_tests/source_mcpl_file/test.py
index 5a6a87d87..0adf67f1a 100644
--- a/tests/regression_tests/source_mcpl_file/test.py
+++ b/tests/regression_tests/source_mcpl_file/test.py
@@ -3,16 +3,13 @@ import os
 import shutil
 import subprocess
 import textwrap
-
+import glob
 import openmc
 import pytest
 
 from tests.testing_harness import TestHarness
 
-def model():
-  subprocess.run(['gcc','-o gen_dummt_mcpl.out','-lm','-lmcpl','gen_dummy_mcpl.c'] )
-  subprocess.run(['./gen_dummy_mcpl.out'])
-    
+
 class SourceMCPLFileTestHarness(TestHarness):
   def execute_test(self):
     """Run OpenMC with the appropriate arguments and check the outputs."""
@@ -26,6 +23,10 @@ class SourceMCPLFileTestHarness(TestHarness):
     finally:
       self._cleanup()
 
+  def _create_input(self):
+    subprocess.run(['gcc','-o','gen_dummy_mcpl.out','gen_dummy_mcpl.c','-lm','-lmcpl'])
+    subprocess.run(['./gen_dummy_mcpl.out'])
+
   def update_results(self):
     """Update the results_true using the current version of OpenMC."""
     try:
@@ -40,13 +41,19 @@ class SourceMCPLFileTestHarness(TestHarness):
 
   def _test_output_created(self):
     """Check that the output files were created"""
-    stat        epoint = glob.glob(os.path.join(os.getcwd(), self._sp_name))
+    statepoint = glob.glob(os.path.join(os.getcwd(), self._sp_name))
     assert len(statepoint) == 1, 'Either multiple or no statepoint files ' \
       'exist.'
     assert statepoint[0].endswith('h5'), \
       'statepoint file does not end with h5.'
 
+  def _cleanup(self):
+    super()._cleanup()
+    source_mcpl=glob.glob(os.path.join(os.getcwd(),'source*.mcpl'))
+    for f in source_mcpl:
+      if (os.path.exists(f)):
+        os.remove(f)
+
 def test_mcpl_source_file():
   harness = SourceMCPLFileTestHarness('statepoint.10.h5')
   harness.main()
-  

From 9d3573d89052e08894d3e671d2bdde3e7a828869 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Tue, 5 Jul 2022 16:30:55 -0500
Subject: [PATCH 0520/2654] unit tests for FluxDepleteOperator

- fix value checking syntax in static methods
- add convenicece function to D.R.Y.
- initial unit tests
- add csv file for toy 1g cross sections
---
 openmc/deplete/flux_operator.py               | 34 ++++++---
 tests/micro_xs_simple.csv                     | 13 ++++
 .../unit_tests/test_flux_deplete_operator.py  | 73 +++++++++++++++++++
 3 files changed, 110 insertions(+), 10 deletions(-)
 create mode 100644 tests/micro_xs_simple.csv
 create mode 100644 tests/unit_tests/test_flux_deplete_operator.py

diff --git a/openmc/deplete/flux_operator.py b/openmc/deplete/flux_operator.py
index 3ca046cf2..37100ac5b 100644
--- a/openmc/deplete/flux_operator.py
+++ b/openmc/deplete/flux_operator.py
@@ -16,7 +16,7 @@ import pandas as pd
 from uncertainties import ufloat
 
 import openmc
-from openmc.checkvalue import check_type
+from openmc.checkvalue import check_type, check_value, check_iterable_type
 from openmc.data import DataLibrary
 from openmc.exceptions import DataError
 from openmc.mpi import comm
@@ -27,8 +27,19 @@ from .reaction_rates import ReactionRates
 from .results import Results
 from .helpers import ConstantFissionYieldHelper
 
+valid_rxns = list(REACTIONS.keys())
+valid_rxns += ['fission']
 
-class FluxSpectraDepletionOperator(TransportOperator):
+# Convenience function for the micro_xs static methods
+def _validate_micro_xs_inputs(nuclides, reactions, data):
+    check_iterable_type('nuclides', nuclides, str)
+    check_iterable_type('reactions', reactions, str)
+    check_type('data', data, np.ndarray, expected_iter_type=float)
+    [check_value('reactions', reaction, valid_rxns) for reaction in reactions]
+
+
+
+class FluxDepletionOperator(TransportOperator):
     """Depletion operator that uses a user-provided flux spectrum and one-group
     cross sections to calculate reaction rates.
 
@@ -318,15 +329,13 @@ class FluxSpectraDepletionOperator(TransportOperator):
             assert data.shape == (len(nuclides), len(reactions))
         except AssertionError:
             raise SyntaxError(
-                'Nuclides list of length {len(nuclides)} and'
-                'reactions array of length {len(reactions)} do not'
-                'match dimensions of data array of shape {data.shape}')
+                f'Nuclides list of length {len(nuclides)} and '
+                f'reactions array of length {len(reactions)} do not '
+                f'match dimensions of data array of shape {data.shape}')
 
-        check_iterable_type('nuclides', nuclides, str)
-        check_iterable_type('reactions', reactions, str)
-        check_type('data', data, float, expected_iter_type=np.array)
-        check_value('reactions', reactions, chain.REACTIONS)
+        _validate_micro_xs_inputs(nuclides, reactions, data)
 
+        # Convert to cm^2
         if units == 'barn':
             data /= 1e24
 
@@ -351,7 +360,12 @@ class FluxSpectraDepletionOperator(TransportOperator):
             A DataFrame object correctly formatted for use in ``FluxOperator``
 
         """
-        micro_xs = pd.DataFrame.read_csv(csv_file)
+        micro_xs = pd.read_csv(csv_file, index_col=0)
+
+        _validate_micro_xs_inputs(list(micro_xs.index),
+                                  list(micro_xs.columns),
+                                  micro_xs.to_numpy())
+
         if units == 'barn':
             micro_xs /= 1e24
 
diff --git a/tests/micro_xs_simple.csv b/tests/micro_xs_simple.csv
new file mode 100644
index 000000000..40142f543
--- /dev/null
+++ b/tests/micro_xs_simple.csv
@@ -0,0 +1,13 @@
+,fission,"(n,gamma)"
+U234,0.1,0.0
+U235,0.1,0.0
+U238,0.9,0.0
+U236,0.4,0.0
+O16,0.0,0.0
+O17,0.0,0.0
+I135,0.0,0.1
+Xe135,0.0,0.9
+Xe136,0.0,0.0
+Cs135,0.0,0.0
+Gd157,0.0,0.1
+Gd156,0.0,0.1
diff --git a/tests/unit_tests/test_flux_deplete_operator.py b/tests/unit_tests/test_flux_deplete_operator.py
new file mode 100644
index 000000000..a2b150493
--- /dev/null
+++ b/tests/unit_tests/test_flux_deplete_operator.py
@@ -0,0 +1,73 @@
+"""Basic unit tests for openmc.deplete.FluxDepletionOperator instantiation
+
+Modifies and resets environment variable OPENMC_CROSS_SECTIONS
+to a custom file with new depletion_chain node
+"""
+
+from pathlib import Path
+
+import pytest
+from openmc.deplete.flux_operator import FluxDepletionOperator
+import pandas as pd
+import numpy as np
+
+FLUX_SPECTRA = 5e16
+CHAIN_PATH = Path(__file__).parents[1] / "chain_simple.xml"
+ONE_GROUP_XS = Path(__file__).parents[1] / "micro_xs_simple.csv"
+
+
+def test_create_micro_xs_from_data_array():
+    nuclides = [
+        'U234',
+        'U235',
+        'U238',
+        'U236',
+        'O16',
+        'O17',
+        'I135',
+        'Xe135',
+        'Xe136',
+        'Cs135',
+        'Gd157',
+        'Gd156']
+    reactions = ['fission', '(n,gamma)']
+    # These values are placeholders and are not at all
+    # physically meaningful.
+    data = np.array([[0.1, 0.],
+                     [0.1, 0.],
+                     [0.9, 0.],
+                     [0.4, 0.],
+                     [0., 0.],
+                     [0., 0.],
+                     [0., 0.1],
+                     [0., 0.9],
+                     [0., 0.],
+                     [0., 0.],
+                     [0., 0.1],
+                     [0., 0.1]])
+
+    FluxDepletionOperator.create_micro_xs_from_data_array(
+        nuclides, reactions, data)
+    with pytest.raises(SyntaxError, match=r'Nuclides list of length \d* and '
+                       r'reactions array of length \d* do not '
+                       r'match dimensions of data array of shape \(\d*\,d*\)'):
+        FluxDepletionOperator.create_micro_xs_from_data_array(
+            nuclides, reactions, data[:, 0])
+
+
+def test_create_micro_xs_from_csv():
+    FluxDepletionOperator.create_micro_xs_from_csv(ONE_GROUP_XS)
+
+
+def test_operator_init():
+    """The test uses a temporary dummy chain. This file will be removed
+    at the end of the test, and only contains a depletion_chain node."""
+    nuclides = {'U234': 8.922411359424315e+18,
+                'U235': 9.98240191860822e+20,
+                'U238': 2.2192386373095893e+22,
+                'U236': 4.5724195495061115e+18,
+                'O16': 4.639065406771322e+22,
+                'O17': 1.7588724018066158e+19}
+    micro_xs = FluxDepletionOperator.create_micro_xs_from_csv(ONE_GROUP_XS)
+    my_flux_operator = FluxDepletionOperator(
+        1, nuclides, micro_xs, FLUX_SPECTRA, CHAIN_PATH)

From 1d81b553de628889c6f0004ad4e5cb8f9975d57d Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Thu, 7 Jul 2022 14:30:48 -0500
Subject: [PATCH 0521/2654] allow None-valued keff in stepresult.py

---
 openmc/deplete/stepresult.py | 8 +++++++-
 1 file changed, 7 insertions(+), 1 deletion(-)

diff --git a/openmc/deplete/stepresult.py b/openmc/deplete/stepresult.py
index 6e2373c45..80a664c6f 100644
--- a/openmc/deplete/stepresult.py
+++ b/openmc/deplete/stepresult.py
@@ -495,7 +495,13 @@ class StepResult:
             for mat_i in range(n_mat):
                 results[i, mat_i, :] = x[i][mat_i]
 
-        results.k = [(r.k.nominal_value, r.k.std_dev) for r in op_results]
+        ks = []
+        for r in op_results:
+            if isinstance(r.k, type(None)):
+                ks += [(None, None)]
+            else:
+                ks += [(r.k.nominal_value, r.k.std_dev)]
+        results.k = ks
         results.rates = [r.rates for r in op_results]
         results.time = t
         results.source_rate = source_rate

From 516c117533818ca25d33ea72e39f61efbefa64f5 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Thu, 7 Jul 2022 14:31:59 -0500
Subject: [PATCH 0522/2654] Add type checking for keff; typo fixes in
 flux_operator.py

---
 openmc/deplete/flux_operator.py | 17 +++++++++++++----
 1 file changed, 13 insertions(+), 4 deletions(-)

diff --git a/openmc/deplete/flux_operator.py b/openmc/deplete/flux_operator.py
index 37100ac5b..1da7cf9f9 100644
--- a/openmc/deplete/flux_operator.py
+++ b/openmc/deplete/flux_operator.py
@@ -90,6 +90,9 @@ class FluxDepletionOperator(TransportOperator):
         Initial atom density [atoms/cm^3] to add for nuclides that are zero
         in initial condition to ensure they exist in the decay chain.
         Only done for nuclides with reaction rates.
+    round_number : bool
+        Whether or not to round output to OpenMC to 8 digits.
+        Useful in testing, as OpenMC is incredibly sensitive to exact values.
     prev_res : Results or None
         Results from a previous depletion calculation. ``None`` if no
         results are to be used.
@@ -120,6 +123,7 @@ class FluxDepletionOperator(TransportOperator):
                  reduce_chain_level=None,
                  fission_yield_opts=None):
         super().__init__(chain_file, fission_q, dilute_initial, prev_results)
+        self.round_number = False
         self.flux_spectra = flux_spectra
         self._init_nuclides = nuclides
         self._volume = volume
@@ -134,6 +138,10 @@ class FluxDepletionOperator(TransportOperator):
         check_type('micro_xs', micro_xs, pd.DataFrame)
 
         self._micro_xs = micro_xs
+        if not isinstance(keff, type(None)):
+            check_type('keff', keff, tuple, float)
+            keff = ufloat(keff)
+
         self._keff = keff
 
         self._all_nuclides = self._get_all_nuclides_in_simulation()
@@ -210,12 +218,13 @@ class FluxDepletionOperator(TransportOperator):
         number.fill(0.0)
 
         # Get new number densities
-        for nuc, i_nuc_results in zip(nuclides, nuc_ind):
+        for nuc, i_nuc_results in zip(rxn_nuclides, nuc_ind):
             number[i_nuc_results] = self.number[0, nuc]
 
+
         # Calculate macroscopic cross sections and store them in rates array
-        for nuc in nuclides:
-            density = number.get_atom_density('0', nuc)
+        for nuc in rxn_nuclides:
+            density = self.number.get_atom_density('0', nuc)
             for rxn in self.chain.reactions:
                 rates.set(
                     '0',
@@ -236,7 +245,7 @@ class FluxDepletionOperator(TransportOperator):
         # vector. Since what we want is the depletion matrix, we need to
         # divide the reaction rates by the number of atoms to get the right
         # units.
-        mask = nonzero(number)
+        mask = np.nonzero(number)
         results = rates[0]
         for col in range(results.shape[1]):
             results[mask, col] /= number[mask]

From 596359339894f01f5be56bc2f28715d129d3dbbd Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Thu, 7 Jul 2022 15:12:38 -0500
Subject: [PATCH 0523/2654] created regression test for FluxDepleteOperator

- new data file: tests/micro_xs_simple.csv
- created regression test based on pincell example
- moved old depletion regression test to new folder:
  tests/regression_tests/deplete/transport_deplete
---
 tests/micro_xs_simple.csv                     |  20 ++--
 .../deplete/no_transport_deplete/test.py      | 106 ++++++++++++++++++
 .../deplete/test_reference.h5                 | Bin 166224 -> 0 bytes
 .../example_geometry.py                       |   0
 .../last_step_reference_materials.xml         |   0
 .../deplete/{ => transport_deplete}/test.py   |   2 +-
 6 files changed, 114 insertions(+), 14 deletions(-)
 create mode 100644 tests/regression_tests/deplete/no_transport_deplete/test.py
 delete mode 100644 tests/regression_tests/deplete/test_reference.h5
 rename tests/regression_tests/deplete/{ => transport_deplete}/example_geometry.py (100%)
 rename tests/regression_tests/deplete/{ => transport_deplete}/last_step_reference_materials.xml (100%)
 rename tests/regression_tests/deplete/{ => transport_deplete}/test.py (98%)

diff --git a/tests/micro_xs_simple.csv b/tests/micro_xs_simple.csv
index 40142f543..bc43600ba 100644
--- a/tests/micro_xs_simple.csv
+++ b/tests/micro_xs_simple.csv
@@ -1,13 +1,7 @@
-,fission,"(n,gamma)"
-U234,0.1,0.0
-U235,0.1,0.0
-U238,0.9,0.0
-U236,0.4,0.0
-O16,0.0,0.0
-O17,0.0,0.0
-I135,0.0,0.1
-Xe135,0.0,0.9
-Xe136,0.0,0.0
-Cs135,0.0,0.0
-Gd157,0.0,0.1
-Gd156,0.0,0.1
+nuclide,"(n,gamma)",fission
+U234,23.518634203050645,0.49531930067650976
+U235,10.621118186344665,49.10955932965905
+U238,0.8652742788116043,0.10579281644765708
+U236,9.095623870006154,0.32315392339237936
+O16,0.0029535689693132015,0.0
+O17,0.05980775766572907,0.0
diff --git a/tests/regression_tests/deplete/no_transport_deplete/test.py b/tests/regression_tests/deplete/no_transport_deplete/test.py
new file mode 100644
index 000000000..3fb2bf7f2
--- /dev/null
+++ b/tests/regression_tests/deplete/no_transport_deplete/test.py
@@ -0,0 +1,106 @@
+""" Full system test suite. """
+
+from math import floor
+import shutil
+from pathlib import Path
+
+from difflib import unified_diff
+import numpy as np
+import pytest
+import openmc
+from openmc.data import JOULE_PER_EV
+import openmc.deplete
+from openmc.deplete import FluxDepletionOperator
+
+
+from tests.regression_tests import config
+
+
+@pytest.fixture(scope="module")
+def vol_nuc():
+    fuel = openmc.Material(name="uo2")
+    fuel.add_element("U", 1, percent_type="ao", enrichment=4.25)
+    fuel.add_element("O", 2)
+    fuel.set_density("g/cc", 10.4)
+
+    fuel.volume = np.pi * 0.42 ** 2
+
+    nuclides = {}
+    for nuc, t in fuel.get_nuclide_atom_densities().items():
+        nuclides[nuc] = t[1] * 1e24
+
+    # Load geometry from example
+    return (fuel.volume, nuclides)
+
+
+@pytest.mark.parametrize("multiproc", [True, False])
+def test_full(run_in_tmpdir, vol_nuc, multiproc):
+    """Full system test suite.
+
+    Runs an OpenMC depletion calculation and verifies
+    that the outputs match a reference file. Sensitive to changes in
+    OpenMC.
+
+    """
+
+    # Create operator
+    micro_xs_file = Path(__file__).parents[3] / 'micro_xs_simple.csv'
+    micro_xs = FluxDepletionOperator.create_micro_xs_from_csv(micro_xs_file)
+    chain_file = Path(__file__).parents[3] / 'chain_simple.xml'
+    flux = 1164719970082145.0 # flux from pincell example
+    op = FluxDepletionOperator(vol_nuc[0], vol_nuc[1], micro_xs, flux, chain_file, dilute_initial=0.0)
+
+    # Power and timesteps
+    dt = [30] # single step
+    power = 174 # W/cm
+
+    # Perform simulation using the predictor algorithm
+    openmc.deplete.pool.USE_MULTIPROCESSING = multiproc
+    openmc.deplete.PredictorIntegrator(op, dt, power, timestep_units='d').integrate()
+
+    # Get path to test and reference results
+    path_test = op.output_dir / 'depletion_results.h5'
+    path_reference = Path(__file__).with_name('test_reference.h5')
+
+    # If updating results, do so and return
+    if config['update']:
+        shutil.copyfile(str(path_test), str(path_reference))
+        return
+
+    # Load the reference/test results
+    res_test = openmc.deplete.Results(path_test)
+    res_ref = openmc.deplete.Results(path_reference)
+
+    # Assert same mats
+    for mat in res_ref[0].mat_to_ind:
+        assert mat in res_test[0].mat_to_ind, \
+            "Material {} not in new results.".format(mat)
+    for nuc in res_ref[0].nuc_to_ind:
+        assert nuc in res_test[0].nuc_to_ind, \
+            "Nuclide {} not in new results.".format(nuc)
+
+    for mat in res_test[0].mat_to_ind:
+        assert mat in res_ref[0].mat_to_ind, \
+            "Material {} not in old results.".format(mat)
+    for nuc in res_test[0].nuc_to_ind:
+        assert nuc in res_ref[0].nuc_to_ind, \
+            "Nuclide {} not in old results.".format(nuc)
+
+    tol = 1.0e-6
+    for mat in res_test[0].mat_to_ind:
+        for nuc in res_test[0].nuc_to_ind:
+            _, y_test = res_test.get_atoms(mat, nuc)
+            _, y_old = res_ref.get_atoms(mat, nuc)
+
+            # Test each point
+            correct = True
+            for i, ref in enumerate(y_old):
+                if ref != y_test[i]:
+                    if ref != 0.0:
+                        correct = np.abs(y_test[i] - ref) / ref <= tol
+                    else:
+                        correct = False
+
+            assert correct, "Discrepancy in mat {} and nuc {}\n{}\n{}".format(
+                mat, nuc, y_old, y_test)
+
diff --git a/tests/regression_tests/deplete/test_reference.h5 b/tests/regression_tests/deplete/test_reference.h5
deleted file mode 100644
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diff --git a/tests/regression_tests/deplete/example_geometry.py b/tests/regression_tests/deplete/transport_deplete/example_geometry.py
similarity index 100%
rename from tests/regression_tests/deplete/example_geometry.py
rename to tests/regression_tests/deplete/transport_deplete/example_geometry.py
diff --git a/tests/regression_tests/deplete/last_step_reference_materials.xml b/tests/regression_tests/deplete/transport_deplete/last_step_reference_materials.xml
similarity index 100%
rename from tests/regression_tests/deplete/last_step_reference_materials.xml
rename to tests/regression_tests/deplete/transport_deplete/last_step_reference_materials.xml
diff --git a/tests/regression_tests/deplete/test.py b/tests/regression_tests/deplete/transport_deplete/test.py
similarity index 98%
rename from tests/regression_tests/deplete/test.py
rename to tests/regression_tests/deplete/transport_deplete/test.py
index 6c431fb33..caf292936 100644
--- a/tests/regression_tests/deplete/test.py
+++ b/tests/regression_tests/deplete/transport_deplete/test.py
@@ -52,7 +52,7 @@ def test_full(run_in_tmpdir, problem, multiproc):
     model = openmc.Model(geometry=geometry, settings=settings)
 
     # Create operator
-    chain_file = Path(__file__).parents[2] / 'chain_simple.xml'
+    chain_file = Path(__file__).parents[3] / 'chain_simple.xml'
     op = openmc.deplete.Operator(model, chain_file)
     op.round_number = True
 

From b02dcbd42846f0ed0bf51df806bc583b3c355e2d Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Thu, 7 Jul 2022 15:26:26 -0500
Subject: [PATCH 0524/2654] update docstring for no-transport depletion test

---
 .../regression_tests/deplete/no_transport_deplete/test.py  | 7 +++----
 1 file changed, 3 insertions(+), 4 deletions(-)

diff --git a/tests/regression_tests/deplete/no_transport_deplete/test.py b/tests/regression_tests/deplete/no_transport_deplete/test.py
index 3fb2bf7f2..51402dd60 100644
--- a/tests/regression_tests/deplete/no_transport_deplete/test.py
+++ b/tests/regression_tests/deplete/no_transport_deplete/test.py
@@ -35,11 +35,10 @@ def vol_nuc():
 
 @pytest.mark.parametrize("multiproc", [True, False])
 def test_full(run_in_tmpdir, vol_nuc, multiproc):
-    """Full system test suite.
+    """Transport free system test suite.
 
-    Runs an OpenMC depletion calculation and verifies
-    that the outputs match a reference file. Sensitive to changes in
-    OpenMC.
+    Runs an OpenMC transport-free depletion calculation and verifies
+    that the outputs match a reference file.
 
     """
 

From bbec47e1e5fb2c1911b2efaaddce80f2eb2e19ff Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Thu, 7 Jul 2022 15:29:05 -0500
Subject: [PATCH 0525/2654] move the depelteion regression tests to their own
 directories to avoid collection error

---
 .../no_transport_deplete => deplete_no_transport}/test.py     | 4 ++--
 .../example_geometry.py                                       | 0
 .../last_step_reference_materials.xml                         | 0
 .../transport_deplete => deplete_with_transport}/test.py      | 2 +-
 4 files changed, 3 insertions(+), 3 deletions(-)
 rename tests/regression_tests/{deplete/no_transport_deplete => deplete_no_transport}/test.py (96%)
 rename tests/regression_tests/{deplete/transport_deplete => deplete_with_transport}/example_geometry.py (100%)
 rename tests/regression_tests/{deplete/transport_deplete => deplete_with_transport}/last_step_reference_materials.xml (100%)
 rename tests/regression_tests/{deplete/transport_deplete => deplete_with_transport}/test.py (98%)

diff --git a/tests/regression_tests/deplete/no_transport_deplete/test.py b/tests/regression_tests/deplete_no_transport/test.py
similarity index 96%
rename from tests/regression_tests/deplete/no_transport_deplete/test.py
rename to tests/regression_tests/deplete_no_transport/test.py
index 51402dd60..98ce0facd 100644
--- a/tests/regression_tests/deplete/no_transport_deplete/test.py
+++ b/tests/regression_tests/deplete_no_transport/test.py
@@ -43,9 +43,9 @@ def test_full(run_in_tmpdir, vol_nuc, multiproc):
     """
 
     # Create operator
-    micro_xs_file = Path(__file__).parents[3] / 'micro_xs_simple.csv'
+    micro_xs_file = Path(__file__).parents[2] / 'micro_xs_simple.csv'
     micro_xs = FluxDepletionOperator.create_micro_xs_from_csv(micro_xs_file)
-    chain_file = Path(__file__).parents[3] / 'chain_simple.xml'
+    chain_file = Path(__file__).parents[2] / 'chain_simple.xml'
     flux = 1164719970082145.0 # flux from pincell example
     op = FluxDepletionOperator(vol_nuc[0], vol_nuc[1], micro_xs, flux, chain_file, dilute_initial=0.0)
 
diff --git a/tests/regression_tests/deplete/transport_deplete/example_geometry.py b/tests/regression_tests/deplete_with_transport/example_geometry.py
similarity index 100%
rename from tests/regression_tests/deplete/transport_deplete/example_geometry.py
rename to tests/regression_tests/deplete_with_transport/example_geometry.py
diff --git a/tests/regression_tests/deplete/transport_deplete/last_step_reference_materials.xml b/tests/regression_tests/deplete_with_transport/last_step_reference_materials.xml
similarity index 100%
rename from tests/regression_tests/deplete/transport_deplete/last_step_reference_materials.xml
rename to tests/regression_tests/deplete_with_transport/last_step_reference_materials.xml
diff --git a/tests/regression_tests/deplete/transport_deplete/test.py b/tests/regression_tests/deplete_with_transport/test.py
similarity index 98%
rename from tests/regression_tests/deplete/transport_deplete/test.py
rename to tests/regression_tests/deplete_with_transport/test.py
index caf292936..6c431fb33 100644
--- a/tests/regression_tests/deplete/transport_deplete/test.py
+++ b/tests/regression_tests/deplete_with_transport/test.py
@@ -52,7 +52,7 @@ def test_full(run_in_tmpdir, problem, multiproc):
     model = openmc.Model(geometry=geometry, settings=settings)
 
     # Create operator
-    chain_file = Path(__file__).parents[3] / 'chain_simple.xml'
+    chain_file = Path(__file__).parents[2] / 'chain_simple.xml'
     op = openmc.deplete.Operator(model, chain_file)
     op.round_number = True
 

From 2053b6cf1ded5f53b9e5f38ef9e9daa0b3140dc6 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Thu, 7 Jul 2022 16:00:47 -0500
Subject: [PATCH 0526/2654] update docstrings and comments in no transport
 regression test

---
 tests/regression_tests/deplete_no_transport/test.py | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/tests/regression_tests/deplete_no_transport/test.py b/tests/regression_tests/deplete_no_transport/test.py
index 98ce0facd..3641edf58 100644
--- a/tests/regression_tests/deplete_no_transport/test.py
+++ b/tests/regression_tests/deplete_no_transport/test.py
@@ -1,4 +1,4 @@
-""" Full system test suite. """
+""" Transport-free depletion test suite """
 
 from math import floor
 import shutil
@@ -34,7 +34,7 @@ def vol_nuc():
 
 
 @pytest.mark.parametrize("multiproc", [True, False])
-def test_full(run_in_tmpdir, vol_nuc, multiproc):
+def test_no_transport(run_in_tmpdir, vol_nuc, multiproc):
     """Transport free system test suite.
 
     Runs an OpenMC transport-free depletion calculation and verifies

From ff044e7b1346f65b83a5b0902bea78f96da25bd3 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Thu, 7 Jul 2022 16:01:28 -0500
Subject: [PATCH 0527/2654] added __init__.py files to deplete regression test
 modules

---
 tests/regression_tests/deplete_no_transport/__init__.py   | 0
 tests/regression_tests/deplete_with_transport/__init__.py | 0
 2 files changed, 0 insertions(+), 0 deletions(-)
 create mode 100644 tests/regression_tests/deplete_no_transport/__init__.py
 create mode 100644 tests/regression_tests/deplete_with_transport/__init__.py

diff --git a/tests/regression_tests/deplete_no_transport/__init__.py b/tests/regression_tests/deplete_no_transport/__init__.py
new file mode 100644
index 000000000..e69de29bb
diff --git a/tests/regression_tests/deplete_with_transport/__init__.py b/tests/regression_tests/deplete_with_transport/__init__.py
new file mode 100644
index 000000000..e69de29bb

From 3e5f47b0be136a3b29b9b029dfe0f993d29a748b Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Thu, 7 Jul 2022 16:22:30 -0500
Subject: [PATCH 0528/2654] Added references to the new class in the docs

---
 docs/source/pythonapi/deplete.rst    | 10 +++---
 docs/source/usersguide/depletion.rst | 51 +++++++++++++++++++++++-----
 2 files changed, 48 insertions(+), 13 deletions(-)

diff --git a/docs/source/pythonapi/deplete.rst b/docs/source/pythonapi/deplete.rst
index 9f7d8c447..151e728d5 100644
--- a/docs/source/pythonapi/deplete.rst
+++ b/docs/source/pythonapi/deplete.rst
@@ -40,18 +40,18 @@ transport-depletion coupling algorithms <http://hdl.handle.net/1721.1/113721>`_.
     SICELIIntegrator
     SILEQIIntegrator
 
-Each of these classes expects a "transport operator" to be passed. An operator
-specific to OpenMC is available using the following class:
-
+Each of these classes expects a "transport operator" to be passed.
 .. autosummary::
    :toctree: generated
    :nosignatures:
    :template: mycallable.rst
 
    Operator
+   FluxDepletionOperator
 
-The :class:`Operator` must also have some knowledge of how nuclides transmute
-and decay. This is handled by the :class:`Chain`.
+The :class:`Operator` and :class:`FluxDepletionOperator` classes must also have
+some knowledge of how nuclides transmute and decay. This is handled by the 
+:class:`Chain`.
 
 Minimal Example
 ---------------
diff --git a/docs/source/usersguide/depletion.rst b/docs/source/usersguide/depletion.rst
index 57619611f..f4f0ac869 100644
--- a/docs/source/usersguide/depletion.rst
+++ b/docs/source/usersguide/depletion.rst
@@ -19,14 +19,13 @@ transmutation equations and the method used for advancing time. At present, the
 :class:`openmc.deplete.Operator` (which uses the OpenMC transport solver), but
 in principle additional operator classes based on other transport codes could be
 implemented and no changes to the depletion solver itself would be needed. The
-operator class requires a :class:`openmc.Geometry` instance and a
-:class:`openmc.Settings` instance::
+operator class requires a :class:`openmc.model.Model` instance containing 
+material, geometry, and settings information::
 
-    geom = openmc.Geometry()
-    settings = openmc.Settings()
+    model = openmc.model.Model()
     ...
 
-    op = openmc.deplete.Operator(geom, settings)
+    op = openmc.deplete.Operator(model)
 
 Any material that contains a fissionable nuclide is depleted by default, but
 this can behavior can be changed with the :attr:`Material.depletable` attribute.
@@ -81,7 +80,7 @@ When constructing the :class:`~openmc.deplete.Operator`, you should indicate
 that normalization of tally results will be done based on the source rate rather
 than a power or power density::
 
-    op = openmc.deplete.Operator(geometry, settings, normalization_mode='source-rate')
+    op = openmc.deplete.Operator(model, normalization_mode='source-rate')
 
 Finally, when creating a depletion integrator, use the ``source_rates`` argument::
 
@@ -127,7 +126,7 @@ A more complete way to model the energy deposition is to use the modified
 heating reactions described in :ref:`methods_heating`.  These values can be used
 to normalize reaction rates instead of using the fission reaction rates with::
 
-    op = openmc.deplete.Operator(geometry, settings, "chain.xml",
+    op = openmc.deplete.Operator(model, "chain.xml",
         normalization_mode="energy-deposition")
 
 These modified heating libraries can be generated by running the latest version
@@ -160,7 +159,7 @@ the next transport step.
 This can be countered by instructing the operator to treat repeated instances
 of the same material as a unique material definition with::
 
-    op = openmc.deplete.Operator(geometry, settings, chain_file,
+    op = openmc.deplete.Operator(model, chain_file,
         diff_burnable_mats=True)
 
 For our example problem, this would deplete fuel on the outer region of the
@@ -177,3 +176,39 @@ across all material instances.
     This will increase the total memory usage and run time due to an increased
     number of tallies and material definitions.
 
+Transport-independent depletion
+-------------------------------
+
+.. note::
+   
+   This is a brand-new feature and is under heavy development. API changes are
+   possible and likely in the near future.
+
+OpenMC also supports transport-independent depletion calculations using the
+:class:`FluxDepletionOperator` class. Rather than taking a
+:class:`openmc.model.Model` object, this class accepts a volume,
+a dictionary of nuclide concentrations, a flux spectra, and one-group
+microscopic cross sections as a pandas dataframe. The class includes
+helper functions to constructe the dataframe from a csv file or from
+data arrays::
+
+    ...
+    micro_xs = FluxDepletionOperator.create_micro_xs_from_csv(micro_xs_path)
+    nuclides = {'U234':8.92e18,
+                'U235':9.98e20,
+                'U238':2.22e22,
+                'U236':4.57e18,
+                'O16':4.64e22,
+                'O17':1.76e19}
+    volume = 0.5 
+    flux = 1.16e15
+
+    op = FluxDepletionOperator(volume, nuclides, micro_xs, flux. chain_file)
+
+
+A user can then define an integrator class as they would for a coupled
+transport-depletion calculation and follow the steps from there.
+present in the depletion chain.
+
+.. note:: Ideally, one-group cross section data should be available for every reaction
+   in the depletion chain.

From c91a6d65d880666565414c3b43776d9cf65be3d3 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Thu, 7 Jul 2022 16:35:51 -0500
Subject: [PATCH 0529/2654] make import of example_geometry relative to fix
 pytest error

---
 tests/regression_tests/deplete_with_transport/test.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/tests/regression_tests/deplete_with_transport/test.py b/tests/regression_tests/deplete_with_transport/test.py
index 6c431fb33..0c2a4cd97 100644
--- a/tests/regression_tests/deplete_with_transport/test.py
+++ b/tests/regression_tests/deplete_with_transport/test.py
@@ -12,7 +12,7 @@ from openmc.data import JOULE_PER_EV
 import openmc.deplete
 
 from tests.regression_tests import config
-from example_geometry import generate_problem
+from .example_geometry import generate_problem
 
 
 @pytest.fixture(scope="module")

From c67f889d99aa2dadbcf8016ac9c4733145a910ae Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Thu, 7 Jul 2022 16:44:09 -0500
Subject: [PATCH 0530/2654] typo fix in depete api page

---
 docs/source/pythonapi/deplete.rst | 1 +
 1 file changed, 1 insertion(+)

diff --git a/docs/source/pythonapi/deplete.rst b/docs/source/pythonapi/deplete.rst
index 151e728d5..32b449a13 100644
--- a/docs/source/pythonapi/deplete.rst
+++ b/docs/source/pythonapi/deplete.rst
@@ -41,6 +41,7 @@ transport-depletion coupling algorithms <http://hdl.handle.net/1721.1/113721>`_.
     SILEQIIntegrator
 
 Each of these classes expects a "transport operator" to be passed.
+
 .. autosummary::
    :toctree: generated
    :nosignatures:

From 1c9a5be73835bb00805b8d194dc69a5474e03ff0 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Thu, 7 Jul 2022 17:44:59 -0500
Subject: [PATCH 0531/2654] add test_reference.h5 files

---
 .../deplete_no_transport/test_reference.h5     | Bin 0 -> 35688 bytes
 .../deplete_with_transport/test_reference.h5   | Bin 0 -> 166224 bytes
 2 files changed, 0 insertions(+), 0 deletions(-)
 create mode 100644 tests/regression_tests/deplete_no_transport/test_reference.h5
 create mode 100644 tests/regression_tests/deplete_with_transport/test_reference.h5

diff --git a/tests/regression_tests/deplete_no_transport/test_reference.h5 b/tests/regression_tests/deplete_no_transport/test_reference.h5
new file mode 100644
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literal 0
HcmV?d00001


From af3d4606651023f909c184ec2a1b152faed1186d Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Thu, 7 Jul 2022 20:35:09 -0500
Subject: [PATCH 0532/2654] test suite typo fixes

---
 tests/regression_tests/deplete_no_transport/test.py | 4 ++--
 tests/unit_tests/test_deplete_resultslist.py        | 2 +-
 2 files changed, 3 insertions(+), 3 deletions(-)

diff --git a/tests/regression_tests/deplete_no_transport/test.py b/tests/regression_tests/deplete_no_transport/test.py
index 3641edf58..1133a039c 100644
--- a/tests/regression_tests/deplete_no_transport/test.py
+++ b/tests/regression_tests/deplete_no_transport/test.py
@@ -26,8 +26,8 @@ def vol_nuc():
     fuel.volume = np.pi * 0.42 ** 2
 
     nuclides = {}
-    for nuc, t in fuel.get_nuclide_atom_densities().items():
-        nuclides[nuc] = t[1] * 1e24
+    for nuc, dens in fuel.get_nuclide_atom_densities().items():
+        nuclides[nuc] = dens * 1e24
 
     # Load geometry from example
     return (fuel.volume, nuclides)
diff --git a/tests/unit_tests/test_deplete_resultslist.py b/tests/unit_tests/test_deplete_resultslist.py
index 6ce15601f..9d81c4a15 100644
--- a/tests/unit_tests/test_deplete_resultslist.py
+++ b/tests/unit_tests/test_deplete_resultslist.py
@@ -11,7 +11,7 @@ import openmc.deplete
 @pytest.fixture
 def res():
     """Load the reference results"""
-    filename = (Path(__file__).parents[1] / 'regression_tests' / 'deplete'
+    filename = (Path(__file__).parents[1] / 'regression_tests' / 'deplete_with_transport'
                 / 'test_reference.h5')
     return openmc.deplete.Results(filename)
 

From a95d02dd91c9ac51d16843f04c503df4ed9d4261 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 7 Jul 2022 22:29:56 -0500
Subject: [PATCH 0533/2654] Update version pins of sphinx and sphinx_rtd_theme

---
 docs/requirements-rtd.txt | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/docs/requirements-rtd.txt b/docs/requirements-rtd.txt
index c3d1c0372..9591d482f 100644
--- a/docs/requirements-rtd.txt
+++ b/docs/requirements-rtd.txt
@@ -1,4 +1,5 @@
-sphinx==4.3.0
+sphinx==5.0.2
+sphinx_rtd_theme==1.0.0
 sphinx-numfig
 jupyter
 sphinxcontrib-katex

From ff15c98b67dc231de6e4e22f70de1892f6ec7746 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 8 Jul 2022 08:05:51 -0500
Subject: [PATCH 0534/2654] Add test checking that collision/tracklength
 estimators agree for sph/cyl mesh

---
 tests/unit_tests/test_filter_mesh.py | 109 +++++++++++++++++++++++++++
 1 file changed, 109 insertions(+)
 create mode 100644 tests/unit_tests/test_filter_mesh.py

diff --git a/tests/unit_tests/test_filter_mesh.py b/tests/unit_tests/test_filter_mesh.py
new file mode 100644
index 000000000..265642360
--- /dev/null
+++ b/tests/unit_tests/test_filter_mesh.py
@@ -0,0 +1,109 @@
+import numpy as np
+import openmc
+from uncertainties import unumpy
+
+
+def test_spherical_mesh_estimators(run_in_tmpdir):
+    """Test that collision/tracklength estimators agree for SphericalMesh"""
+
+    mat = openmc.Material()
+    mat.add_nuclide('U235', 1.0)
+    mat.set_density('g/cm3', 10.0)
+
+    sphere = openmc.Sphere(r=10.0, boundary_type='vacuum')
+    cell = openmc.Cell(fill=mat, region=-sphere)
+    model = openmc.Model()
+    model.geometry = openmc.Geometry([cell])
+    model.settings.particles = 1_000
+    model.settings.inactive = 10
+    model.settings.batches = 20
+
+    sph_mesh = openmc.SphericalMesh()
+    sph_mesh.r_grid = np.linspace(0.0, 5.0**3, 20)**(1/3)
+    tally1 = openmc.Tally()
+    tally1.filters = [openmc.MeshFilter(sph_mesh)]
+    tally1.scores = ['flux']
+    tally1.estimator = 'collision'
+
+    sph_mesh = openmc.SphericalMesh()
+    sph_mesh.r_grid = np.linspace(0.0, 5.0**3, 20)**(1/3)
+    tally2 = openmc.Tally()
+    tally2.filters = [openmc.MeshFilter(sph_mesh)]
+    tally2.scores = ['flux']
+    tally2.estimator = 'tracklength'
+
+    model.tallies = openmc.Tallies([tally1, tally2])
+
+    # Run OpenMC
+    sp_filename = model.run()
+
+    # Get radial flux distribution
+    with openmc.StatePoint(sp_filename) as sp:
+        flux_collision = sp.tallies[tally1.id].mean.ravel()
+        flux_collision_unc = sp.tallies[tally1.id].std_dev.ravel()
+        flux_tracklength = sp.tallies[tally2.id].mean.ravel()
+        flux_tracklength_unc = sp.tallies[tally2.id].std_dev.ravel()
+
+    # Construct arrays with uncertainties
+    collision = unumpy.uarray(flux_collision, flux_collision_unc)
+    tracklength = unumpy.uarray(flux_tracklength, flux_tracklength_unc)
+    delta = collision - tracklength
+
+    # Check that difference is within uncertainty
+    diff = unumpy.nominal_values(delta)
+    std_dev = unumpy.std_devs(delta)
+    assert np.all(diff < 3*std_dev)
+
+
+def test_cylindrical_mesh_estimators(run_in_tmpdir):
+    """Test that collision/tracklength estimators agree for CylindricalMesh"""
+
+    mat = openmc.Material()
+    mat.add_nuclide('U235', 1.0)
+    mat.set_density('g/cm3', 10.0)
+
+    cyl = openmc.model.RightCircularCylinder((0., 0., -5.), 10., 10.0, boundary_type='vacuum')
+    cell = openmc.Cell(fill=mat, region=-cyl)
+    model = openmc.Model()
+    model.geometry = openmc.Geometry([cell])
+    model.settings.particles = 1_000
+    model.settings.inactive = 10
+    model.settings.batches = 20
+
+    cyl_mesh = openmc.CylindricalMesh()
+    cyl_mesh.r_grid = np.linspace(0.0, 5.0**3, 20)**(1/3)
+    cyl_mesh.z_grid = [-5., 5.]
+    tally1 = openmc.Tally()
+    tally1.filters = [openmc.MeshFilter(cyl_mesh)]
+    tally1.scores = ['flux']
+    tally1.estimator = 'collision'
+
+    cyl_mesh = openmc.CylindricalMesh()
+    cyl_mesh.r_grid = np.linspace(0.0, 5.0**3, 20)**(1/3)
+    cyl_mesh.z_grid = [-5., 5.]
+    tally2 = openmc.Tally()
+    tally2.filters = [openmc.MeshFilter(cyl_mesh)]
+    tally2.scores = ['flux']
+    tally2.estimator = 'tracklength'
+
+    model.tallies = openmc.Tallies([tally1, tally2])
+
+    # Run OpenMC
+    sp_filename = model.run()
+
+    # Get radial flux distribution
+    with openmc.StatePoint(sp_filename) as sp:
+        flux_collision = sp.tallies[tally1.id].mean.ravel()
+        flux_collision_unc = sp.tallies[tally1.id].std_dev.ravel()
+        flux_tracklength = sp.tallies[tally2.id].mean.ravel()
+        flux_tracklength_unc = sp.tallies[tally2.id].std_dev.ravel()
+
+    # Construct arrays with uncertainties
+    collision = unumpy.uarray(flux_collision, flux_collision_unc)
+    tracklength = unumpy.uarray(flux_tracklength, flux_tracklength_unc)
+    delta = collision - tracklength
+
+    # Check that difference is within uncertainty
+    diff = unumpy.nominal_values(delta)
+    std_dev = unumpy.std_devs(delta)
+    assert np.all(diff < 3*std_dev)

From 620aaec5ee46400f5bde6bc63906deedf031f56d Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 8 Jul 2022 08:09:16 -0500
Subject: [PATCH 0535/2654] Fix indexing bug in SphericalMesh and
 CylindricalMesh

---
 src/mesh.cpp                                       | 14 ++++++--------
 .../regression_tests/filter_mesh/results_true.dat  |  2 +-
 2 files changed, 7 insertions(+), 9 deletions(-)

diff --git a/src/mesh.cpp b/src/mesh.cpp
index de29233fb..e8f79aa37 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -379,7 +379,7 @@ void StructuredMesh::raytrace_mesh(
   // TODO: when c++-17 is available, use "if constexpr ()" to compile-time
   // enable/disable tally calls for now, T template type needs to provide both
   // surface and track methods, which might be empty. modern optimizing
-  // compilers will (hopefully) eleminate the complete code (including
+  // compilers will (hopefully) eliminate the complete code (including
   // calculation of parameters) but for the future: be explicit
 
   // Compute the length of the entire track.
@@ -957,7 +957,7 @@ double CylindricalMesh::find_r_crossing(
   const Position& r, const Direction& u, double l, int shell) const
 {
 
-  if ((shell < 0) || (shell >= shape_[0]))
+  if ((shell < 0) || (shell > shape_[0]))
     return INFTY;
 
   // solve r.x^2 + r.y^2 == r0^2
@@ -1190,7 +1190,7 @@ StructuredMesh::MeshIndex SphericalMesh::get_indices(
 double SphericalMesh::find_r_crossing(
   const Position& r, const Direction& u, double l, int shell) const
 {
-  if ((shell < 0) || (shell >= shape_[0]))
+  if ((shell < 0) || (shell > shape_[0]))
     return INFTY;
 
   // solve |r+s*u| = r0
@@ -1312,20 +1312,17 @@ StructuredMesh::MeshDistance SphericalMesh::distance_to_grid_boundary(
 {
 
   if (i == 0) {
-
     return std::min(
       MeshDistance(ijk[i] + 1, true, find_r_crossing(r0, u, l, ijk[i])),
       MeshDistance(ijk[i] - 1, false, find_r_crossing(r0, u, l, ijk[i] - 1)));
 
   } else if (i == 1) {
-
     return std::min(MeshDistance(sanitize_theta(ijk[i] + 1), true,
                       find_theta_crossing(r0, u, l, ijk[i])),
       MeshDistance(sanitize_theta(ijk[i] - 1), false,
         find_theta_crossing(r0, u, l, ijk[i] - 1)));
 
   } else {
-
     return std::min(MeshDistance(sanitize_phi(ijk[i] + 1), true,
                       find_phi_crossing(r0, u, l, ijk[i])),
       MeshDistance(sanitize_phi(ijk[i] - 1), false,
@@ -2567,8 +2564,9 @@ void read_meshes(pugi::xml_node root)
     // Check to make sure multiple meshes in the same file don't share IDs
     int id = std::stoi(get_node_value(node, "id"));
     if (contains(mesh_ids, id)) {
-      fatal_error(
-        fmt::format("Two or more meshes use the same unique ID '{}' in the same input file", id));
+      fatal_error(fmt::format(
+        "Two or more meshes use the same unique ID '{}' in the same input file",
+        id));
     }
     mesh_ids.insert(id);
 
diff --git a/tests/regression_tests/filter_mesh/results_true.dat b/tests/regression_tests/filter_mesh/results_true.dat
index 97735130e..ef52af2c7 100644
--- a/tests/regression_tests/filter_mesh/results_true.dat
+++ b/tests/regression_tests/filter_mesh/results_true.dat
@@ -1 +1 @@
-6e02d01fc115c54e4c60477a9f963149bc83c82e6a7bdb2d29125b131546150c59de5ac3aae5b9469b89b343ecf2574f6c949b918ccb43231e8666ee2b7c1b7c
\ No newline at end of file
+70243ebdb882e4367bf821667a9f4d41dea03eaf8b27d734e014a13e14922b5158cd47b0a7edf3733d4e23ca6a5ab06457220c9138b7e9720acf547f2eaa06e2
\ No newline at end of file

From 6d352aa55c8fab8bf427bceeb165c6b870d94e53 Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erkn@fysik.dtu.dk>
Date: Wed, 22 Jun 2022 22:50:07 +0200
Subject: [PATCH 0536/2654] add placeholder skeleton for MCPL-input

---
 include/openmc/source.h | 19 +++++++++++++++++++
 src/source.cpp          | 21 +++++++++++++++++++++
 2 files changed, 40 insertions(+)

diff --git a/include/openmc/source.h b/include/openmc/source.h
index 18fddc689..cadbfe93b 100644
--- a/include/openmc/source.h
+++ b/include/openmc/source.h
@@ -100,6 +100,25 @@ private:
   vector<SourceSite> sites_; //!< Source sites from a file
 };
 
+//==============================================================================
+// MCPL-file input source
+//==============================================================================
+class MCPLFileSource : public Source {
+public:
+  // Constructors, destructors
+  MCPLFileSource(std::string path);
+  ~MCPLFileSource();
+
+  // Defer implementation to custom source library
+  SourceSite sample(uint64_t* seed) const override
+
+private:
+  vector <SourceSite> sites_; //!<source sites from an MCPL-file
+};
+
+
+
+
 //==============================================================================
 //! Wrapper for custom sources that manages opening/closing shared library
 //==============================================================================
diff --git a/src/source.cpp b/src/source.cpp
index 11ede5fc4..cd8b5e574 100644
--- a/src/source.cpp
+++ b/src/source.cpp
@@ -332,6 +332,27 @@ CustomSourceWrapper::~CustomSourceWrapper()
 #endif
 }
 
+//===========================================================================
+// Read an MCPL-file
+//===========================================================================
+MCPLFileSource::MCPLFileSource(std::string path)
+{
+  // Check if source file exists
+  if (!file_exists(path)) {
+    fatal_error(fmt::format("Source file '{}' does not exist.", path));
+  }
+   
+  // Read the source from a binary file instead of sampling from some
+  // assumed source distribution
+  write_message(6, "Reading source file from {}...", path);
+
+  // Open the mcpl file
+  id_t file_id = mcpl_open(path.c_str)
+  
+
+}
+
+
 //==============================================================================
 // Non-member functions
 //==============================================================================

From 601d219c6de7031704557e498d3e755ae45daa87 Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erkn@fysik.dtu.dk>
Date: Thu, 23 Jun 2022 11:34:53 +0200
Subject: [PATCH 0537/2654] include mcpl header

---
 src/source.cpp | 4 ++++
 1 file changed, 4 insertions(+)

diff --git a/src/source.cpp b/src/source.cpp
index cd8b5e574..5e26fa0a8 100644
--- a/src/source.cpp
+++ b/src/source.cpp
@@ -31,6 +31,10 @@
 #include "openmc/state_point.h"
 #include "openmc/xml_interface.h"
 
+#ifdef HAS_MCPL
+#include <mcpl.h>
+#endif
+
 namespace openmc {
 
 //==============================================================================

From c43989af9c222b20413ee3b892feaf20919b8707 Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erkn@fysik.dtu.dk>
Date: Thu, 23 Jun 2022 11:35:46 +0200
Subject: [PATCH 0538/2654] declarations of MCPL-internals

---
 include/openmc/source.h | 13 +++++++++++--
 1 file changed, 11 insertions(+), 2 deletions(-)

diff --git a/include/openmc/source.h b/include/openmc/source.h
index cadbfe93b..69dd47eae 100644
--- a/include/openmc/source.h
+++ b/include/openmc/source.h
@@ -109,11 +109,20 @@ public:
   MCPLFileSource(std::string path);
   ~MCPLFileSource();
 
-  // Defer implementation to custom source library
-  SourceSite sample(uint64_t* seed) const override
+  // Properties
+  ParticleType particle_type() const { return particle_; }
+
+  //! Sample from the external source distribution
+  //! \param[inout] seed Pseudorandom seed pointer
+  //! \return Site read from MCPL-file
+  SourceSite sample(uint64_t* seed) const override;
 
 private:
+  ParticleType particle_ {ParticleType::neutron}; //!< Type of particle emitted
   vector <SourceSite> sites_; //!<source sites from an MCPL-file
+  mcpl_file_t mcpl_file;
+
+  uint64_t read_particles;
 };
 
 

From 106ab6118ffe11dfc9012a6b27a7fe671a74975f Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erkn@fysik.dtu.dk>
Date: Thu, 23 Jun 2022 11:37:05 +0200
Subject: [PATCH 0539/2654] internals of sample and constructor

---
 src/source.cpp | 51 ++++++++++++++++++++++++++++++++++++++++++++++----
 1 file changed, 47 insertions(+), 4 deletions(-)

diff --git a/src/source.cpp b/src/source.cpp
index 5e26fa0a8..231f355fc 100644
--- a/src/source.cpp
+++ b/src/source.cpp
@@ -337,7 +337,7 @@ CustomSourceWrapper::~CustomSourceWrapper()
 }
 
 //===========================================================================
-// Read an MCPL-file
+// Read particles from an MCPL-file
 //===========================================================================
 MCPLFileSource::MCPLFileSource(std::string path)
 {
@@ -348,12 +348,55 @@ MCPLFileSource::MCPLFileSource(std::string path)
    
   // Read the source from a binary file instead of sampling from some
   // assumed source distribution
-  write_message(6, "Reading source file from {}...", path);
+  write_message(6, "Reading mcpl source file from {}",path);
 
   // Open the mcpl file
-  id_t file_id = mcpl_open(path.c_str)
-  
+  mcpl_file = mcpl_open(path.c_str);
 
+  //do checks on the mcpl_file to see if particles are many enough.
+  // should model this on the example source shown in the docs.
+  uint64_t nparticles=mcpl_hdr_nparticles(mcpl_file);
+
+}
+
+MCPLFileSource::~MCPLFilsSource(){
+  mcpl_close_file(mcpl_file);
+}
+
+SourceSite MCPLFileSource::sample(uint64_t *seed){
+  SourceSite omc_particle;
+  mcpl_particle *mcpl_particle;
+  //extract particle from mcpl-file
+  mcpl_particle=mcpl_reazd(mcplfile);
+  // check if it is  a neutron or a photon. otherwise skip
+  while ( mcpl_particle->pdgcode!=2112 && mcpl_particle->pdgcode!=22 )
+  {
+    mcpl_particle(mcpl_read(mcplfile);
+    //check for file exhaustion
+  }
+
+  if(mcpl_particle->pdgcode=2112) {
+    omc_particle_=ParticleType::neutron;
+  } else {
+    omc_particle_=Particletype::photon;
+  }
+
+  //particle is good, convert to openmc-formalism
+  omc_particle.r.x=mcpl_particle.x;
+  omc_particle.r.y=mcpl_particle.y;
+  omc_particle.r.z=mcpl_particle.z;
+
+  omc_particle.u.x=mcpl_particle->direction[0];
+  omc_particle.u.y=mcpl_particle->direction[1];
+  omc_particle.u.z=mcpl_particle->direction[2];
+
+  //mcpl stores particles in MeV
+  omc_particle.E=mcpl_particle->ekin*1e6;
+
+  omc_particle.t=mcpl_particle->time*1e-3;
+  omc_particle.wgt=mcpl_particle->weight;
+  omc_particle.delayed_group=0;
+  return omc_particle;
 }
 
 

From 103c6ffa0330ab1313489a27b2d9504cfb30f7ba Mon Sep 17 00:00:00 2001
From: erkn <erik@vonbrun.org>
Date: Mon, 27 Jun 2022 23:25:35 +0200
Subject: [PATCH 0540/2654] (wip): skeleton for input only test

---
 .../regression_tests/source_mcpl_file/test.py | 52 +++++++++++++++++++
 1 file changed, 52 insertions(+)
 create mode 100644 tests/regression_tests/source_mcpl_file/test.py

diff --git a/tests/regression_tests/source_mcpl_file/test.py b/tests/regression_tests/source_mcpl_file/test.py
new file mode 100644
index 000000000..5a6a87d87
--- /dev/null
+++ b/tests/regression_tests/source_mcpl_file/test.py
@@ -0,0 +1,52 @@
+import pathlib as pl
+import os
+import shutil
+import subprocess
+import textwrap
+
+import openmc
+import pytest
+
+from tests.testing_harness import TestHarness
+
+def model():
+  subprocess.run(['gcc','-o gen_dummt_mcpl.out','-lm','-lmcpl','gen_dummy_mcpl.c'] )
+  subprocess.run(['./gen_dummy_mcpl.out'])
+    
+class SourceMCPLFileTestHarness(TestHarness):
+  def execute_test(self):
+    """Run OpenMC with the appropriate arguments and check the outputs."""
+    try:
+      self._create_input()
+      self._run_openmc()
+      self._test_output_created()
+      results = self._get_results()
+      self._write_results(results)
+      self._compare_results()
+    finally:
+      self._cleanup()
+
+  def update_results(self):
+    """Update the results_true using the current version of OpenMC."""
+    try:
+      self._create_input()
+      self._run_openmc()
+      self._test_output_created()
+      results = self._get_results()
+      self._write_results(results)
+      self._overwrite_results()
+    finally:
+      self._cleanup()
+
+  def _test_output_created(self):
+    """Check that the output files were created"""
+    stat        epoint = glob.glob(os.path.join(os.getcwd(), self._sp_name))
+    assert len(statepoint) == 1, 'Either multiple or no statepoint files ' \
+      'exist.'
+    assert statepoint[0].endswith('h5'), \
+      'statepoint file does not end with h5.'
+
+def test_mcpl_source_file():
+  harness = SourceMCPLFileTestHarness('statepoint.10.h5')
+  harness.main()
+  

From 73fb335350bb3b6ed0199e9c3cc4ee19d73b163e Mon Sep 17 00:00:00 2001
From: erkn <erik@vonbrun.org>
Date: Mon, 27 Jun 2022 23:26:01 +0200
Subject: [PATCH 0541/2654] c-prog to generate a dummy mcpl

---
 .../source_mcpl_file/gen_dummy_mcpl.c         | 97 +++++++++++++++++++
 1 file changed, 97 insertions(+)
 create mode 100644 tests/regression_tests/source_mcpl_file/gen_dummy_mcpl.c

diff --git a/tests/regression_tests/source_mcpl_file/gen_dummy_mcpl.c b/tests/regression_tests/source_mcpl_file/gen_dummy_mcpl.c
new file mode 100644
index 000000000..7b5a933f1
--- /dev/null
+++ b/tests/regression_tests/source_mcpl_file/gen_dummy_mcpl.c
@@ -0,0 +1,97 @@
+#include <mcpl.h>
+#include <stdio.h>
+#include <stdlib.h>
+#include <math.h>
+
+const int batches=10;
+const int particles=10000;
+
+double rand01(){
+  double r=rand()/((double) RAND_MAX);
+  return r;
+}
+
+
+int main(int argc, char **argv){
+  char outfilename[128];
+  snprintf(outfilename,127,"source.%d.mcpl",batches);
+
+  /*generate an mcpl_header_of sorts*/
+  mcpl_outfile_t outfile=mcpl_create_outfile(outfilename);
+  mcpl_particle_t *particle, Particle;
+
+  char line[256];
+  snprintf(line,255,"gen_dummy_mcpl.c");
+  mcpl_hdr_set_srcname(outfile,line);
+  mcpl_enable_universal_pdgcode(outfile,2112);/*all particles are neutrons*/
+  snprintf(line,255,"Dummy MCPL-file for testing OpenMC mcpl input");
+  mcpl_hdr_add_comment(outfile,line);
+
+  /*also add the instrument file and the command line as blobs*/
+  FILE *fp;
+  if( (fp=fopen("gen_dummy_mcpl.c","rb"))!=NULL){
+    unsigned char *buffer;
+    int size,status;
+    /*find the file size by seeking to end, "tell" the position, and then go back again*/
+    fseek(fp, 0L, SEEK_END);
+    size = ftell(fp); // get current file pointer
+    fseek(fp, 0L, SEEK_SET); // seek back to beginning of file
+    if ( size && (buffer=malloc(size))!=NULL){
+      if (size!=(fread(buffer,1,size,fp))){
+        fprintf(stderr,"Warning: c source generator file not read cleanly\n");
+      }
+      mcpl_hdr_add_data(outfile, "mcpl_point_source_file_generator", size, buffer);
+      free(buffer);
+    }
+    fclose(fp);
+  } else {
+    fprintf(stderr,"Warning: could not open c source generator file, hence not embedded.\n");
+  }
+
+
+  /*the main particle loop*/
+  particle=&Particle;
+  int i;
+  for (i=0;i<batches*particles; i++){
+    if(i%particles==0){
+      printf("batch number %d\n",i/particles);
+    }
+    /*generate a point source - i.e. x,y,z are 0*/
+    particle->position[0]=0;
+    particle->position[1]=0;
+    particle->position[2]=0;
+    
+    /*generate a random direction on unit sphere*/
+    double nrm=2.0;
+    double vx,vy,vz;
+    int iter=0;
+    do {
+      if(iter>100){
+        printf("warning: exceeed max random vector attempts: at loop %d -> %g   %d\n",i,nrm,iter);
+      }
+      vx=rand01()*2.0-1.0;
+      vy=rand01()*2.0-1.0;
+      vz=rand01()*2.0-1.0;
+      nrm=(vx*vx + vy*vy + vz*vz);
+      iter++;
+    } while (nrm>1.0);
+    vx/=sqrt(nrm);
+    vy/=sqrt(nrm);
+    vz/=sqrt(nrm);
+    particle->direction[0]=vx;
+    particle->direction[1]=vy;
+    particle->direction[2]=vz;
+
+    /*generate the kinetic energy (in MeV) of the particle*/ 
+    particle->ekin=1e-3;
+ 
+    /*set time=0*/
+    particle->time=0;
+    /*set weight*/
+    particle->weight=1;
+
+    particle->userflags=0;
+    mcpl_add_particle(outfile,particle);
+  }
+  mcpl_closeandgzip_outfile(outfile);
+}

From c6c876d835fe2177426ee64f4ae8dc15d5e616f2 Mon Sep 17 00:00:00 2001
From: erkn <erik@vonbrun.org>
Date: Tue, 5 Jul 2022 01:30:07 +0200
Subject: [PATCH 0542/2654] don't zip the output-file

---
 .../source_mcpl_file/gen_dummy_mcpl.c                | 12 ++++++------
 1 file changed, 6 insertions(+), 6 deletions(-)

diff --git a/tests/regression_tests/source_mcpl_file/gen_dummy_mcpl.c b/tests/regression_tests/source_mcpl_file/gen_dummy_mcpl.c
index 7b5a933f1..f35a07fc4 100644
--- a/tests/regression_tests/source_mcpl_file/gen_dummy_mcpl.c
+++ b/tests/regression_tests/source_mcpl_file/gen_dummy_mcpl.c
@@ -54,20 +54,20 @@ int main(int argc, char **argv){
   int i;
   for (i=0;i<batches*particles; i++){
     if(i%particles==0){
-      printf("batch number %d\n",i/particles);
+      printf("MCPL_test: generating batch number %d\n",i/particles);
     }
     /*generate a point source - i.e. x,y,z are 0*/
     particle->position[0]=0;
     particle->position[1]=0;
     particle->position[2]=0;
-    
+
     /*generate a random direction on unit sphere*/
     double nrm=2.0;
     double vx,vy,vz;
     int iter=0;
     do {
       if(iter>100){
-        printf("warning: exceeed max random vector attempts: at loop %d -> %g   %d\n",i,nrm,iter);
+        printf("Warning: Exceeded max random vector attempts: at loop %d -> %g   %d\n",i,nrm,iter);
       }
       vx=rand01()*2.0-1.0;
       vy=rand01()*2.0-1.0;
@@ -82,9 +82,9 @@ int main(int argc, char **argv){
     particle->direction[1]=vy;
     particle->direction[2]=vz;
 
-    /*generate the kinetic energy (in MeV) of the particle*/ 
+    /*generate the kinetic energy (in MeV) of the particle*/
     particle->ekin=1e-3;
- 
+
     /*set time=0*/
     particle->time=0;
     /*set weight*/
@@ -93,5 +93,5 @@ int main(int argc, char **argv){
     particle->userflags=0;
     mcpl_add_particle(outfile,particle);
   }
-  mcpl_closeandgzip_outfile(outfile);
+  mcpl_close_outfile(outfile);
 }

From 8719a539f9f8c9134ded079b2eec64c6cdf3aa82 Mon Sep 17 00:00:00 2001
From: erkn <erik@vonbrun.org>
Date: Tue, 5 Jul 2022 01:53:14 +0200
Subject: [PATCH 0543/2654] now compiles fine if mcpl is indeed installed

---
 .../regression_tests/source_mcpl_file/test.py | 21 ++++++++++++-------
 1 file changed, 14 insertions(+), 7 deletions(-)

diff --git a/tests/regression_tests/source_mcpl_file/test.py b/tests/regression_tests/source_mcpl_file/test.py
index 5a6a87d87..0adf67f1a 100644
--- a/tests/regression_tests/source_mcpl_file/test.py
+++ b/tests/regression_tests/source_mcpl_file/test.py
@@ -3,16 +3,13 @@ import os
 import shutil
 import subprocess
 import textwrap
-
+import glob
 import openmc
 import pytest
 
 from tests.testing_harness import TestHarness
 
-def model():
-  subprocess.run(['gcc','-o gen_dummt_mcpl.out','-lm','-lmcpl','gen_dummy_mcpl.c'] )
-  subprocess.run(['./gen_dummy_mcpl.out'])
-    
+
 class SourceMCPLFileTestHarness(TestHarness):
   def execute_test(self):
     """Run OpenMC with the appropriate arguments and check the outputs."""
@@ -26,6 +23,10 @@ class SourceMCPLFileTestHarness(TestHarness):
     finally:
       self._cleanup()
 
+  def _create_input(self):
+    subprocess.run(['gcc','-o','gen_dummy_mcpl.out','gen_dummy_mcpl.c','-lm','-lmcpl'])
+    subprocess.run(['./gen_dummy_mcpl.out'])
+
   def update_results(self):
     """Update the results_true using the current version of OpenMC."""
     try:
@@ -40,13 +41,19 @@ class SourceMCPLFileTestHarness(TestHarness):
 
   def _test_output_created(self):
     """Check that the output files were created"""
-    stat        epoint = glob.glob(os.path.join(os.getcwd(), self._sp_name))
+    statepoint = glob.glob(os.path.join(os.getcwd(), self._sp_name))
     assert len(statepoint) == 1, 'Either multiple or no statepoint files ' \
       'exist.'
     assert statepoint[0].endswith('h5'), \
       'statepoint file does not end with h5.'
 
+  def _cleanup(self):
+    super()._cleanup()
+    source_mcpl=glob.glob(os.path.join(os.getcwd(),'source*.mcpl'))
+    for f in source_mcpl:
+      if (os.path.exists(f)):
+        os.remove(f)
+
 def test_mcpl_source_file():
   harness = SourceMCPLFileTestHarness('statepoint.10.h5')
   harness.main()
-  

From 7e890037051dad5760ea5f010165017b864f389f Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <drshimwell@gmail.com>
Date: Fri, 8 Jul 2022 23:44:32 +0100
Subject: [PATCH 0544/2654] [skip ci] Apply suggestions from code review by
 @paulromano

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/material.py | 35 +++++++++++++++++------------------
 1 file changed, 17 insertions(+), 18 deletions(-)

diff --git a/openmc/material.py b/openmc/material.py
index 352959fe9..3592a35e6 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -3,7 +3,6 @@ from collections.abc import Iterable
 from copy import deepcopy
 from numbers import Real
 from pathlib import Path
-
 import os
 import math
 import re
@@ -345,7 +344,7 @@ class Material(IDManagerMixin):
             raise ValueError('No volume information found for material ID={}.'
                 .format(self.id))
 
-    def set_density(self, units: str, density:Optional[float]=None):
+    def set_density(self, units: str, density: Optional[float] = None):
         """Set the density of the material
 
         Parameters
@@ -377,7 +376,7 @@ class Material(IDManagerMixin):
                           density, Real)
             self._density = density
 
-    def add_nuclide(self, nuclide: str, percent: float, percent_type: str='ao'):
+    def add_nuclide(self, nuclide: str, percent: float, percent_type: str = 'ao'):
         """Add a nuclide to the material
 
         Parameters
@@ -505,10 +504,10 @@ class Material(IDManagerMixin):
         if macroscopic == self._macroscopic:
             self._macroscopic = None
 
-    def add_element(self, element: str, percent: float, percent_type: str='ao',
-                    enrichment: Optional[float]=None,
-                    enrichment_target: Optional[str]=None,
-                    enrichment_type: Optional[str]=None):
+    def add_element(self, element: str, percent: float, percent_type: str = 'ao',
+                    enrichment: Optional[float] = None,
+                    enrichment_target: Optional[str] = None,
+                    enrichment_type: Optional[str] = None):
         """Add a natural element to the material
 
         Parameters
@@ -613,10 +612,10 @@ class Material(IDManagerMixin):
                                       enrichment_type):
             self.add_nuclide(*nuclide)
 
-    def add_elements_from_formula(self, formula: str, percent_type: str='ao',
-                                  enrichment: Optional[float]=None,
-                                  enrichment_target: Optional[float]=None,
-                                  enrichment_type: Optional[str]=None):
+    def add_elements_from_formula(self, formula: str, percent_type: str = 'ao',
+                                  enrichment: Optional[float] = None,
+                                  enrichment_target: Optional[str] = None,
+                                  enrichment_type: Optional[str] = None):
         """Add a elements from a chemical formula to the material.
 
         .. versionadded:: 0.12
@@ -713,7 +712,7 @@ class Material(IDManagerMixin):
             else:
                 self.add_element(element, percent, percent_type)
 
-    def add_s_alpha_beta(self, name: str, fraction: float=1.0):
+    def add_s_alpha_beta(self, name: str, fraction: float = 1.0):
         r"""Add an :math:`S(\alpha,\beta)` table to the material
 
         Parameters
@@ -862,7 +861,7 @@ class Material(IDManagerMixin):
 
         return nuclides
 
-    def get_mass_density(self, nuclide: Optional[str]=None):
+    def get_mass_density(self, nuclide: Optional[str] = None):
         """Return mass density of one or all nuclides
 
         Parameters
@@ -885,7 +884,7 @@ class Material(IDManagerMixin):
                 mass_density += density_i
         return mass_density
 
-    def get_mass(self, nuclide: Optional[str]=None):
+    def get_mass(self, nuclide: Optional[str] = None):
         """Return mass of one or all nuclides.
 
         Note that this method requires that the :attr:`Material.volume` has
@@ -907,7 +906,7 @@ class Material(IDManagerMixin):
             raise ValueError("Volume must be set in order to determine mass.")
         return self.volume*self.get_mass_density(nuclide)
 
-    def clone(self, memo: Optional[dict]=None):
+    def clone(self, memo: Optional[dict] = None):
         """Create a copy of this material with a new unique ID.
 
         Parameters
@@ -1031,7 +1030,7 @@ class Material(IDManagerMixin):
 
     @classmethod
     def mix_materials(cls, materials, fracs: typing.Iterable[float],
-                      percent_type: str='ao', name: Optional[str]=None):
+                      percent_type: str = 'ao', name: Optional[str] = None):
         """Mix materials together based on atom, weight, or volume fractions
 
         .. versionadded:: 0.12
@@ -1260,7 +1259,7 @@ class Materials(cv.CheckedList):
         for material in self:
             material.make_isotropic_in_lab()
 
-    def export_to_xml(self, path: Union[str, os.PathLike]='materials.xml'):
+    def export_to_xml(self, path: Union[str, os.PathLike] = 'materials.xml'):
         """Export material collection to an XML file.
 
         Parameters
@@ -1307,7 +1306,7 @@ class Materials(cv.CheckedList):
             fh.write('</materials>\n')
 
     @classmethod
-    def from_xml(cls, path: Union[str, os.PathLike]='materials.xml'):
+    def from_xml(cls, path: Union[str, os.PathLike] = 'materials.xml'):
         """Generate materials collection from XML file
 
         Parameters

From 69cb024882bd1d711c88370504833931a365424d Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <drshimwell@gmail.com>
Date: Fri, 8 Jul 2022 23:52:27 +0100
Subject: [PATCH 0545/2654] Adding type hint h5py.Group

---
 openmc/material.py | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/openmc/material.py b/openmc/material.py
index 3592a35e6..dcb33ff29 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -11,6 +11,7 @@ import warnings
 from typing import Optional, Union
 from xml.etree import ElementTree as ET
 
+import h5py
 import numpy as np
 
 import openmc
@@ -270,7 +271,7 @@ class Material(IDManagerMixin):
         return density*self.volume
 
     @classmethod
-    def from_hdf5(cls, group: str):
+    def from_hdf5(cls, group: h5py.Group):
         """Create material from HDF5 group
 
         Parameters

From 0d1c346b5a12d2a452450b435a80cf4a2fbbe608 Mon Sep 17 00:00:00 2001
From: erkn <erik@vonbrun.org>
Date: Sat, 9 Jul 2022 16:31:00 +0200
Subject: [PATCH 0546/2654] fix misprints

---
 src/source.cpp | 8 ++++----
 1 file changed, 4 insertions(+), 4 deletions(-)

diff --git a/src/source.cpp b/src/source.cpp
index 231f355fc..37e580b18 100644
--- a/src/source.cpp
+++ b/src/source.cpp
@@ -345,7 +345,7 @@ MCPLFileSource::MCPLFileSource(std::string path)
   if (!file_exists(path)) {
     fatal_error(fmt::format("Source file '{}' does not exist.", path));
   }
-   
+
   // Read the source from a binary file instead of sampling from some
   // assumed source distribution
   write_message(6, "Reading mcpl source file from {}",path);
@@ -367,7 +367,7 @@ SourceSite MCPLFileSource::sample(uint64_t *seed){
   SourceSite omc_particle;
   mcpl_particle *mcpl_particle;
   //extract particle from mcpl-file
-  mcpl_particle=mcpl_reazd(mcplfile);
+  mcpl_particle=mcpl_read(mcplfile);
   // check if it is  a neutron or a photon. otherwise skip
   while ( mcpl_particle->pdgcode!=2112 && mcpl_particle->pdgcode!=22 )
   {
@@ -375,9 +375,9 @@ SourceSite MCPLFileSource::sample(uint64_t *seed){
     //check for file exhaustion
   }
 
-  if(mcpl_particle->pdgcode=2112) {
+  if(mcpl_particle->pdgcode==2112) {
     omc_particle_=ParticleType::neutron;
-  } else {
+  } else if (mcpl_particle->pdgcode==22){
     omc_particle_=Particletype::photon;
   }
 

From 7a6c69fbd5daefcca4b612affdbac6ecd46e9d32 Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erik.knudsen@copenhagenatomics.com>
Date: Mon, 11 Jul 2022 09:49:29 +0200
Subject: [PATCH 0547/2654] fix misprints

---
 src/source.cpp | 10 +++++-----
 1 file changed, 5 insertions(+), 5 deletions(-)

diff --git a/src/source.cpp b/src/source.cpp
index 231f355fc..9ec1ff798 100644
--- a/src/source.cpp
+++ b/src/source.cpp
@@ -367,7 +367,7 @@ SourceSite MCPLFileSource::sample(uint64_t *seed){
   SourceSite omc_particle;
   mcpl_particle *mcpl_particle;
   //extract particle from mcpl-file
-  mcpl_particle=mcpl_reazd(mcplfile);
+  mcpl_particle=mcpl_read(mcplfile);
   // check if it is  a neutron or a photon. otherwise skip
   while ( mcpl_particle->pdgcode!=2112 && mcpl_particle->pdgcode!=22 )
   {
@@ -375,9 +375,9 @@ SourceSite MCPLFileSource::sample(uint64_t *seed){
     //check for file exhaustion
   }
 
-  if(mcpl_particle->pdgcode=2112) {
+  if(mcpl_particle->pdgcode==2112) {
     omc_particle_=ParticleType::neutron;
-  } else {
+  } else if (mcpl_particle->pdgcode==22){
     omc_particle_=Particletype::photon;
   }
 
@@ -390,9 +390,9 @@ SourceSite MCPLFileSource::sample(uint64_t *seed){
   omc_particle.u.y=mcpl_particle->direction[1];
   omc_particle.u.z=mcpl_particle->direction[2];
 
-  //mcpl stores particles in MeV
+  //mcpl stores kinetic energy in MeV
   omc_particle.E=mcpl_particle->ekin*1e6;
-
+  //mcpl stores time in ms
   omc_particle.t=mcpl_particle->time*1e-3;
   omc_particle.wgt=mcpl_particle->weight;
   omc_particle.delayed_group=0;

From 0fe895e195c8bfe916910f3219fcff6eec643d75 Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Mon, 11 Jul 2022 12:29:10 +0000
Subject: [PATCH 0548/2654] Fixed number of dimensions in vtk file

---
 openmc/mesh.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index d5a460baa..1fe5429d0 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -240,7 +240,7 @@ class StructuredMesh(MeshBase):
 
         vtk_grid = vtk.vtkStructuredGrid()
 
-        vtk_grid.SetDimensions(*self.dimension)
+        vtk_grid.SetDimensions(*[dim + 1 for dim in self.dimension])
 
         vtkPts = vtk.vtkPoints()
         vtkPts.SetData(nps.numpy_to_vtk(points, deep=True))

From ef452850bee91c7dc0d5a6ba2272c64e69ded873 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Mon, 11 Jul 2022 10:28:06 -0500
Subject: [PATCH 0549/2654] Don't skip CI for non-code files (reverting changes
 from #2010)

---
 .github/workflows/ci.yml | 7 -------
 1 file changed, 7 deletions(-)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index 670b76cd9..050c8e287 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -5,13 +5,6 @@ on:
   workflow_dispatch:
 
   pull_request:
-    paths-ignore:
-      - 'docs/**'
-      - 'examples/**'
-      - 'man/**'
-      - '**.md'
-      - CODEOWNERS
-      - LICENSE
     branches:
       - develop
       - master

From 34746926d349d0e04134893aa987c49d9508e121 Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erik.knudsen@copenhagenatomics.com>
Date: Tue, 12 Jul 2022 13:48:55 +0200
Subject: [PATCH 0550/2654] add necessary xmls

---
 tests/regression_tests/source_mcpl_file/geometry.xml  | 8 ++++++++
 tests/regression_tests/source_mcpl_file/materials.xml | 9 +++++++++
 2 files changed, 17 insertions(+)
 create mode 100644 tests/regression_tests/source_mcpl_file/geometry.xml
 create mode 100644 tests/regression_tests/source_mcpl_file/materials.xml

diff --git a/tests/regression_tests/source_mcpl_file/geometry.xml b/tests/regression_tests/source_mcpl_file/geometry.xml
new file mode 100644
index 000000000..bc56030e1
--- /dev/null
+++ b/tests/regression_tests/source_mcpl_file/geometry.xml
@@ -0,0 +1,8 @@
+<?xml version="1.0"?>
+<geometry>
+
+  <!-- Sphere with radius 10 -->
+  <surface id="1" type="sphere" coeffs="0 0 0 10" boundary="vacuum"/>
+  <cell id="1" material="1" region="-1" />
+    
+</geometry>
diff --git a/tests/regression_tests/source_mcpl_file/materials.xml b/tests/regression_tests/source_mcpl_file/materials.xml
new file mode 100644
index 000000000..2472a7471
--- /dev/null
+++ b/tests/regression_tests/source_mcpl_file/materials.xml
@@ -0,0 +1,9 @@
+<?xml version="1.0"?>
+<materials>
+
+  <material id="1">
+    <density value="4.5" units="g/cc" />
+    <nuclide name="U235" ao="1.0" />
+  </material>
+
+</materials>

From 25cfc328d04c930a8d75ba41eb46ed7e26c64cae Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erik.knudsen@copenhagenatomics.com>
Date: Tue, 12 Jul 2022 13:49:56 +0200
Subject: [PATCH 0551/2654] set seed to make test deteministic

---
 tests/regression_tests/source_mcpl_file/gen_dummy_mcpl.c | 1 +
 1 file changed, 1 insertion(+)

diff --git a/tests/regression_tests/source_mcpl_file/gen_dummy_mcpl.c b/tests/regression_tests/source_mcpl_file/gen_dummy_mcpl.c
index f35a07fc4..61eea95c6 100644
--- a/tests/regression_tests/source_mcpl_file/gen_dummy_mcpl.c
+++ b/tests/regression_tests/source_mcpl_file/gen_dummy_mcpl.c
@@ -52,6 +52,7 @@ int main(int argc, char **argv){
   /*the main particle loop*/
   particle=&Particle;
   int i;
+  srand(1234);
   for (i=0;i<batches*particles; i++){
     if(i%particles==0){
       printf("MCPL_test: generating batch number %d\n",i/particles);

From 49aec9c3870abe1fd2167181961c18e3a83dfdf6 Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erik.knudsen@copenhagenatomics.com>
Date: Tue, 12 Jul 2022 13:50:35 +0200
Subject: [PATCH 0552/2654] test target result

---
 tests/regression_tests/source_mcpl_file/results_true.dat | 2 ++
 1 file changed, 2 insertions(+)
 create mode 100644 tests/regression_tests/source_mcpl_file/results_true.dat

diff --git a/tests/regression_tests/source_mcpl_file/results_true.dat b/tests/regression_tests/source_mcpl_file/results_true.dat
new file mode 100644
index 000000000..f2209006a
--- /dev/null
+++ b/tests/regression_tests/source_mcpl_file/results_true.dat
@@ -0,0 +1,2 @@
+k-combined:
+3.017557E-01 3.398770E-03

From b0bb63cb3508d0dff59fd950a60dc35db2188b19 Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erik.knudsen@copenhagenatomics.com>
Date: Tue, 12 Jul 2022 13:50:53 +0200
Subject: [PATCH 0553/2654] yet another necessary file

---
 tests/regression_tests/source_mcpl_file/settings.xml | 11 +++++++++++
 1 file changed, 11 insertions(+)
 create mode 100644 tests/regression_tests/source_mcpl_file/settings.xml

diff --git a/tests/regression_tests/source_mcpl_file/settings.xml b/tests/regression_tests/source_mcpl_file/settings.xml
new file mode 100644
index 000000000..8b1510e0c
--- /dev/null
+++ b/tests/regression_tests/source_mcpl_file/settings.xml
@@ -0,0 +1,11 @@
+<?xml version="1.0"?>
+<settings>
+  <eigenvalue>
+    <batches>10</batches>
+    <inactive>5</inactive>
+    <particles>1000</particles>
+  </eigenvalue>
+  <source>
+    <mcpl>source.10.mcpl</mcpl>
+  </source>
+</settings>

From e480b5c851c542e53ff6e83236994f23c2bfdba3 Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erik.knudsen@copenhagenatomics.com>
Date: Tue, 12 Jul 2022 14:40:01 +0200
Subject: [PATCH 0554/2654] add a check that the test input got created as
 intended

---
 tests/regression_tests/source_mcpl_file/test.py | 12 +++++++++++-
 1 file changed, 11 insertions(+), 1 deletion(-)

diff --git a/tests/regression_tests/source_mcpl_file/test.py b/tests/regression_tests/source_mcpl_file/test.py
index 0adf67f1a..922ddddd3 100644
--- a/tests/regression_tests/source_mcpl_file/test.py
+++ b/tests/regression_tests/source_mcpl_file/test.py
@@ -15,6 +15,7 @@ class SourceMCPLFileTestHarness(TestHarness):
     """Run OpenMC with the appropriate arguments and check the outputs."""
     try:
       self._create_input()
+      self._test_input_created()
       self._run_openmc()
       self._test_output_created()
       results = self._get_results()
@@ -31,6 +32,7 @@ class SourceMCPLFileTestHarness(TestHarness):
     """Update the results_true using the current version of OpenMC."""
     try:
       self._create_input()
+      self._test_input_created()
       self._run_openmc()
       self._test_output_created()
       results = self._get_results()
@@ -39,6 +41,14 @@ class SourceMCPLFileTestHarness(TestHarness):
     finally:
       self._cleanup()
 
+  def _test_input_created(self):
+    """Check that the input mcpl.file was generated as it should"""
+    mcplfile=glob.glob(os.path.join(os.getcwd(),'source.10.mcpl'))
+    assert len(mcplfile) == 1, 'Either multiple or no mcpl files ' \
+      'exist.'
+    assert mcplfile[0].endswith('mcpl'), \
+      'output file does not end with mcpl.'
+
   def _test_output_created(self):
     """Check that the output files were created"""
     statepoint = glob.glob(os.path.join(os.getcwd(), self._sp_name))
@@ -55,5 +65,5 @@ class SourceMCPLFileTestHarness(TestHarness):
         os.remove(f)
 
 def test_mcpl_source_file():
-  harness = SourceMCPLFileTestHarness('statepoint.10.h5')
+  harness = SourceMCPLFileTestHarness('source.10.mcpl')
   harness.main()

From 6c78d129c3db8b09b0e8b21cb3a4965460127666 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Tue, 12 Jul 2022 15:49:40 +0100
Subject: [PATCH 0555/2654] added bbox by @pshriwise

---
 openmc/universe.py | 13 +++++++++++++
 1 file changed, 13 insertions(+)

diff --git a/openmc/universe.py b/openmc/universe.py
index f3f95aebb..bb1554de8 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -7,6 +7,7 @@ from pathlib import Path
 from tempfile import TemporaryDirectory
 from xml.etree import ElementTree as ET
 
+import h5py
 import numpy as np
 
 import openmc
@@ -630,6 +631,9 @@ class DAGMCUniverse(UniverseBase):
     auto_mat_ids : bool
         Set IDs automatically on initialization (True)  or report overlaps
         in ID space between OpenMC and UWUW materials (False)
+    bounding_box : 2-tuple of numpy.array
+        Lower-left and upper-right coordinates of an axis-aligned bounding box
+        of the universe.
     """
 
     def __init__(self,
@@ -650,6 +654,15 @@ class DAGMCUniverse(UniverseBase):
         string += '{: <16}=\t{}\n'.format('\tFile', self.filename)
         return string
 
+    @property
+    def bounding_box(self):
+        dagmc_file = h5py.File(self.filename)
+        coords = dagmc_file['tstt']['nodes']['coordinates'][()]
+        lower_left_corner = coords.min(axis=0)
+        upper_right_corner = coords.max(axis=0)
+        bounding_box = (lower_left_corner, upper_right_corner)
+        return bounding_box
+
     @property
     def filename(self):
         return self._filename

From 48a3484c39ebd5737e1ced1a576160b0efb78c69 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Tue, 12 Jul 2022 16:36:43 +0100
Subject: [PATCH 0556/2654] context manager review suggestion from @pshriwise

---
 openmc/universe.py | 12 ++++++------
 1 file changed, 6 insertions(+), 6 deletions(-)

diff --git a/openmc/universe.py b/openmc/universe.py
index bb1554de8..e7be46822 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -656,12 +656,12 @@ class DAGMCUniverse(UniverseBase):
 
     @property
     def bounding_box(self):
-        dagmc_file = h5py.File(self.filename)
-        coords = dagmc_file['tstt']['nodes']['coordinates'][()]
-        lower_left_corner = coords.min(axis=0)
-        upper_right_corner = coords.max(axis=0)
-        bounding_box = (lower_left_corner, upper_right_corner)
-        return bounding_box
+        with h5py.File(self.filename) as dagmc_file:
+            coords = dagmc_file['tstt']['nodes']['coordinates'][()]
+            lower_left_corner = coords.min(axis=0)
+            upper_right_corner = coords.max(axis=0)
+            bounding_box = (lower_left_corner, upper_right_corner)
+            return bounding_box
 
     @property
     def filename(self):

From 8b06863b37ff3a258080a33058ceb9311f15dea3 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Tue, 12 Jul 2022 16:52:02 +0100
Subject: [PATCH 0557/2654] added dagmc bounding box test

---
 tests/regression_tests/dagmc/universes/test.py | 5 +++++
 1 file changed, 5 insertions(+)

diff --git a/tests/regression_tests/dagmc/universes/test.py b/tests/regression_tests/dagmc/universes/test.py
index 01963986c..6726b4b44 100644
--- a/tests/regression_tests/dagmc/universes/test.py
+++ b/tests/regression_tests/dagmc/universes/test.py
@@ -46,6 +46,11 @@ class DAGMCUniverseTest(PyAPITestHarness):
         # create the DAGMC universe
         pincell_univ = openmc.DAGMCUniverse(filename='dagmc.h5m', auto_geom_ids=True)
 
+        # checks that the bounding box is calculated correctly
+        bounding_box = pincell_univ.bounding_box
+        assert bounding_box[0].tolist() == [-25., -25., -25.]
+        assert bounding_box[1].tolist() == [25., 25., 25.]
+
         # create a 2 x 2 lattice using the DAGMC pincell
         pitch = np.asarray((24.0, 24.0))
         lattice = openmc.RectLattice()

From 5f8e1ff9d99f7dea76c097cf91f78344c9e3633d Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Tue, 12 Jul 2022 11:44:12 -0500
Subject: [PATCH 0558/2654] Address paulromano's comments - various syntax
 adjustments and cleanups - remove unneeded import statements - add more
 information to new section in user's guide - typo fixes - remove
 dilute_initial - move _validate_micro_xs_inputs back into the class as a
 static method - update tests to reflect changes

---
 docs/source/usersguide/depletion.rst          | 34 ++++----
 openmc/deplete/flux_operator.py               | 74 ++++++-----------
 openmc/deplete/helpers.py                     | 79 +++++++++++++++++++
 .../unit_tests/test_flux_deplete_operator.py  |  2 +-
 4 files changed, 123 insertions(+), 66 deletions(-)

diff --git a/docs/source/usersguide/depletion.rst b/docs/source/usersguide/depletion.rst
index f4f0ac869..fe3f12dc4 100644
--- a/docs/source/usersguide/depletion.rst
+++ b/docs/source/usersguide/depletion.rst
@@ -181,25 +181,25 @@ Transport-independent depletion
 
 .. note::
    
-   This is a brand-new feature and is under heavy development. API changes are
+   This feature is still under heavy development. API changes are
    possible and likely in the near future.
 
-OpenMC also supports transport-independent depletion calculations using the
-:class:`FluxDepletionOperator` class. Rather than taking a
-:class:`openmc.model.Model` object, this class accepts a volume,
+OpenMC supports running depletion calculations independent of the OpenMC
+transport solver using the :class:`FluxDepletionOperator` class. Rather than 
+taking a :class:`openmc.model.Model` object, this class accepts a volume,
 a dictionary of nuclide concentrations, a flux spectra, and one-group
-microscopic cross sections as a pandas dataframe. The class includes
-helper functions to constructe the dataframe from a csv file or from
+microscopic cross sections as a :class:`pandas.DataFrame`. The class includes
+helper functions to construct the dataframe from a csv file or from
 data arrays::
 
     ...
     micro_xs = FluxDepletionOperator.create_micro_xs_from_csv(micro_xs_path)
-    nuclides = {'U234':8.92e18,
-                'U235':9.98e20,
-                'U238':2.22e22,
-                'U236':4.57e18,
-                'O16':4.64e22,
-                'O17':1.76e19}
+    nuclides = {'U234': 8.92e18,
+                'U235': 9.98e20,
+                'U238': 2.22e22,
+                'U236': 4.57e18,
+                'O16': 4.64e22,
+                'O17': 1.76e19}
     volume = 0.5 
     flux = 1.16e15
 
@@ -207,8 +207,10 @@ data arrays::
 
 
 A user can then define an integrator class as they would for a coupled
-transport-depletion calculation and follow the steps from there.
-present in the depletion chain.
+transport-depletion calculation and follow the same steps from there.
 
-.. note:: Ideally, one-group cross section data should be available for every reaction
-   in the depletion chain.
+.. note:: Ideally, one-group cross section data should be available for every
+   reaction in the depletion chain. If a nuclide that has a reaction 
+   associated with it in the depletion chain is present in the `nuclides` 
+   parameter but not the cross section data, that reaction will not be
+   simulated.
diff --git a/openmc/deplete/flux_operator.py b/openmc/deplete/flux_operator.py
index 1da7cf9f9..562967e6c 100644
--- a/openmc/deplete/flux_operator.py
+++ b/openmc/deplete/flux_operator.py
@@ -6,36 +6,22 @@ and one-group cross sections.
 """
 
 
-import copy
-from collections import OrderedDict
-import os
 from warnings import warn
 
 import numpy as np
 import pandas as pd
 from uncertainties import ufloat
 
-import openmc
 from openmc.checkvalue import check_type, check_value, check_iterable_type
-from openmc.data import DataLibrary
-from openmc.exceptions import DataError
 from openmc.mpi import comm
 from .abc import TransportOperator, OperatorResult
 from .atom_number import AtomNumber
-from .chain import _find_chain_file, REACTIONS
+from .chain import REACTIONS
 from .reaction_rates import ReactionRates
-from .results import Results
 from .helpers import ConstantFissionYieldHelper
 
-valid_rxns = list(REACTIONS.keys())
-valid_rxns += ['fission']
-
-# Convenience function for the micro_xs static methods
-def _validate_micro_xs_inputs(nuclides, reactions, data):
-    check_iterable_type('nuclides', nuclides, str)
-    check_iterable_type('reactions', reactions, str)
-    check_type('data', data, np.ndarray, expected_iter_type=float)
-    [check_value('reactions', reaction, valid_rxns) for reaction in reactions]
+valid_rxns = list(REACTIONS)
+valid_rxns.append('fission')
 
 
 
@@ -51,10 +37,10 @@ class FluxDepletionOperator(TransportOperator):
     Parameters
     ----------
     volume : float
-        Volume of the material being depleted in cm^3
+        Volume of the material being depleted in [cm^3]
     nuclides : dict of str to float
         Dictionary with nuclide names as keys and nuclide concentrations as
-        values. Nuclide concentration units are [at/cm^3].
+        values. Nuclide concentration units are [atom/cm^3].
     micro_xs : pandas.DataFrame
         DataFrame with nuclides names as index and microscopic cross section
         data in the columns. Cross section units are [cm^-2].
@@ -64,15 +50,10 @@ class FluxDepletionOperator(TransportOperator):
         Path to the depletion chain XML file.
     keff : 2-tuple of float, optional
        keff eigenvalue and uncertainty from transport calculation.
-       Defualt is None.
+       Default is None.
     fission_q : dict, optional
         Dictionary of nuclides and their fission Q values [eV]. If not given,
         values will be pulled from the ``chain_file``.
-    dilute_initial : float, optional
-        Initial atom density [atoms/cm^3] to add for nuclides that are zero
-        in initial condition to ensure they exist in the decay chain.
-        Only done for nuclides with reaction rates.
-        Defaults to 1.0e3.
     prev_results : Results, optional
         Results from a previous depletion calculation.
     reduce_chain : bool, optional
@@ -86,10 +67,6 @@ class FluxDepletionOperator(TransportOperator):
 
     Attributes
     ----------
-    dilute_initial : float
-        Initial atom density [atoms/cm^3] to add for nuclides that are zero
-        in initial condition to ensure they exist in the decay chain.
-        Only done for nuclides with reaction rates.
     round_number : bool
         Whether or not to round output to OpenMC to 8 digits.
         Useful in testing, as OpenMC is incredibly sensitive to exact values.
@@ -117,12 +94,11 @@ class FluxDepletionOperator(TransportOperator):
                  chain_file,
                  keff=None,
                  fission_q=None,
-                 dilute_initial=1.0e3,
                  prev_results=None,
                  reduce_chain=False,
                  reduce_chain_level=None,
                  fission_yield_opts=None):
-        super().__init__(chain_file, fission_q, dilute_initial, prev_results)
+        super().__init__(chain_file, fission_q, 0.0, prev_results)
         self.round_number = False
         self.flux_spectra = flux_spectra
         self._init_nuclides = nuclides
@@ -138,7 +114,7 @@ class FluxDepletionOperator(TransportOperator):
         check_type('micro_xs', micro_xs, pd.DataFrame)
 
         self._micro_xs = micro_xs
-        if not isinstance(keff, type(None)):
+        if keff is not None:
             check_type('keff', keff, tuple, float)
             keff = ufloat(keff)
 
@@ -221,7 +197,6 @@ class FluxDepletionOperator(TransportOperator):
         for nuc, i_nuc_results in zip(rxn_nuclides, nuc_ind):
             number[i_nuc_results] = self.number[0, nuc]
 
-
         # Calculate macroscopic cross sections and store them in rates array
         for nuc in rxn_nuclides:
             density = self.number.get_atom_density('0', nuc)
@@ -230,8 +205,7 @@ class FluxDepletionOperator(TransportOperator):
                     '0',
                     nuc,
                     rxn,
-                    self._micro_xs[rxn].loc[nuc] *
-                    density)
+                    self._micro_xs[rxn, rxn] * density)
 
         # Get reaction rate in reactions/sec
         rates *= self.flux_spectra
@@ -334,15 +308,13 @@ class FluxDepletionOperator(TransportOperator):
         """
 
         # Validate inputs
-        try:
-            assert data.shape == (len(nuclides), len(reactions))
-        except AssertionError:
-            raise SyntaxError(
+        if data.shape != (len(nuclides), len(reactions)):
+            raise ValueError(
                 f'Nuclides list of length {len(nuclides)} and '
                 f'reactions array of length {len(reactions)} do not '
                 f'match dimensions of data array of shape {data.shape}')
 
-        _validate_micro_xs_inputs(nuclides, reactions, data)
+        FluxDepletionOperator._validate_micro_xs_inputs(nuclides, reactions, data)
 
         # Convert to cm^2
         if units == 'barn':
@@ -371,7 +343,7 @@ class FluxDepletionOperator(TransportOperator):
         """
         micro_xs = pd.read_csv(csv_file, index_col=0)
 
-        _validate_micro_xs_inputs(list(micro_xs.index),
+        FluxDepletionOperator._validate_micro_xs_inputs(list(micro_xs.index),
                                   list(micro_xs.columns),
                                   micro_xs.to_numpy())
 
@@ -380,6 +352,16 @@ class FluxDepletionOperator(TransportOperator):
 
         return micro_xs
 
+    # Convenience function for the micro_xs static methods
+    @staticmethod
+    def _validate_micro_xs_inputs(nuclides, reactions, data):
+        check_iterable_type('nuclides', nuclides, str)
+        check_iterable_type('reactions', reactions, str)
+        check_type('data', data, np.ndarray, expected_iter_type=float)
+        for reaction in reactions:
+            check_value('reactions', reaction, valid_rxns)
+
+
     def _update_materials(self):
         """Updates material compositions in OpenMC on all processes."""
 
@@ -464,7 +446,7 @@ class FluxDepletionOperator(TransportOperator):
         return [nuc for nuc in nuc_list if nuc in self.chain]
 
     def _get_all_nuclides_in_simulation(self):
-        """Determine nuclides that will show up in the simulation.
+        """Determine nuclides that will show up in the depletion matrix.
         This is the union of the nuclides provided by the user and
         the nuclides present in the depletion chain.
 
@@ -487,9 +469,8 @@ class FluxDepletionOperator(TransportOperator):
 
     def _get_nuclides_with_data(self):
         """Finds nuclides with cross section data"""
-        nuclides_with_data = set(self._micro_xs.index)
+        return set(self._micro_xs.index)
 
-        return nuclides_with_data
 
     def _extract_number(self, local_mats, volume, nuclides, prev_res=None):
         """Construct AtomNumber using geometry
@@ -508,11 +489,6 @@ class FluxDepletionOperator(TransportOperator):
         """
         self.number = AtomNumber(local_mats, nuclides, volume, len(self.chain))
 
-        if self.dilute_initial != 0.0:
-            for nuc in self._burnable_nucs:
-                self.number.set_atom_density(
-                    np.s_[:], nuc, self.dilute_initial)
-
         # Now extract and store the number densities
         # From the geometry if no previous depletion results
         if prev_res is None:
diff --git a/openmc/deplete/helpers.py b/openmc/deplete/helpers.py
index 33bd182d7..5adb43998 100644
--- a/openmc/deplete/helpers.py
+++ b/openmc/deplete/helpers.py
@@ -2,6 +2,7 @@
 Class for normalizing fission energy deposition
 """
 import bisect
+import pandas as pd
 from abc import abstractmethod
 from collections import defaultdict
 from copy import deepcopy
@@ -124,6 +125,84 @@ class TalliedFissionYieldHelper(FissionYieldHelper):
 # -------------------------------------
 
 
+class FluxReactionRateHelper(ReactionRateHelper):
+    """Class for generating one-group reaction rates with flux and
+    one-group cross sections.
+
+    This class does not generate tallies, and instead stores cross sections
+    for each nuclides and transmutation reaction relevant for a depletion
+    calculation.
+
+    Parameters
+    ----------
+    n_nucs : int
+        Number of burnable nuclides tracked by :class:`openmc.deplete.Operator`
+    n_react : int
+        Number of reactions tracked by :class:`openmc.deplete.Operator`
+
+    Attributes
+    ----------
+    flux :
+
+    xs :
+
+
+    """
+    def __init__(self, n_nuc, n_react):
+        super().__init__(n_nuc, n_react)
+        self._flux = None
+        self._micro_xs = None
+
+    def generate_tallies(self, materials, scores):
+        """Unused in this case"""
+
+
+    @property
+    def flux(self):
+        """Flux in n cm^-2 s^-1"""
+        return self._flux
+
+    @flux.setter
+    def flux(self, flux):
+        check_type("flux", flux, float)
+        self._flux = flux
+
+    @property
+    def micro_xs(self):
+        """DataFrame of microscopic cross sections with requested reaction
+        for all nuclides"""
+        return self._micro_xs
+
+    @micro_xs.setter
+    def micro_xs(self, micro_xs):
+        # TODO : validate micro_xs
+        self._micro_xs = micro_xs
+
+    def get_material_rates(self, mat_id, nuc_index, react_index):
+        """Return 2D array of [nuclide, reaction] reaction rates
+
+        Parameters
+        ----------
+        mat_id : int
+            Unique ID for the requested material
+        nuc_index : list of str
+            Ordering of desired nuclides
+        react_index : list of str
+            Ordering of reactions
+        """
+        self._results_cache.fill(0.0)
+        full_tally_res = self._rate_tally.mean[mat_id]
+        for i_tally, (i_nuc, i_react) in enumerate(
+                product(nuc_index, react_index)):
+            self._results_cache[i_nuc, i_react] = full_tally_res[i_tally]
+
+        return self._results_cache
+
+
+
+
+
+
 class DirectReactionRateHelper(ReactionRateHelper):
     """Class for generating one-group reaction rates with direct tallies
 
diff --git a/tests/unit_tests/test_flux_deplete_operator.py b/tests/unit_tests/test_flux_deplete_operator.py
index a2b150493..99c4e7c8a 100644
--- a/tests/unit_tests/test_flux_deplete_operator.py
+++ b/tests/unit_tests/test_flux_deplete_operator.py
@@ -48,7 +48,7 @@ def test_create_micro_xs_from_data_array():
 
     FluxDepletionOperator.create_micro_xs_from_data_array(
         nuclides, reactions, data)
-    with pytest.raises(SyntaxError, match=r'Nuclides list of length \d* and '
+    with pytest.raises(ValueError, match=r'Nuclides list of length \d* and '
                        r'reactions array of length \d* do not '
                        r'match dimensions of data array of shape \(\d*\,d*\)'):
         FluxDepletionOperator.create_micro_xs_from_data_array(

From 8e4ce676ff56359cf962e016d0c8c3e5013319d5 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 12 Jul 2022 13:50:48 -0500
Subject: [PATCH 0559/2654] Make sure weight window lower/upper bounds are
 flattened before writing to XML

---
 openmc/weight_windows.py | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/openmc/weight_windows.py b/openmc/weight_windows.py
index 2e5b7d8e0..257a17e9a 100644
--- a/openmc/weight_windows.py
+++ b/openmc/weight_windows.py
@@ -291,10 +291,10 @@ class WeightWindows(IDManagerMixin):
         subelement.text = ' '.join(str(e) for e in self.energy_bounds)
 
         subelement = ET.SubElement(element, 'lower_ww_bounds')
-        subelement.text = ' '.join(str(b) for b in self.lower_ww_bounds)
+        subelement.text = ' '.join(str(b) for b in self.lower_ww_bounds.ravel())
 
         subelement = ET.SubElement(element, 'upper_ww_bounds')
-        subelement.text = ' '.join(str(b) for b in self.upper_ww_bounds)
+        subelement.text = ' '.join(str(b) for b in self.upper_ww_bounds.ravel())
 
         subelement = ET.SubElement(element, 'survival_ratio')
         subelement.text = str(self.survival_ratio)

From 4784be1fc96d5b688681bedf22c752a55b719b0a Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <drshimwell@gmail.com>
Date: Tue, 12 Jul 2022 21:03:24 +0100
Subject: [PATCH 0560/2654] review line removal from @paulromano

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/universe.py | 3 +--
 1 file changed, 1 insertion(+), 2 deletions(-)

diff --git a/openmc/universe.py b/openmc/universe.py
index e7be46822..b65263ef9 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -660,8 +660,7 @@ class DAGMCUniverse(UniverseBase):
             coords = dagmc_file['tstt']['nodes']['coordinates'][()]
             lower_left_corner = coords.min(axis=0)
             upper_right_corner = coords.max(axis=0)
-            bounding_box = (lower_left_corner, upper_right_corner)
-            return bounding_box
+            return (lower_left_corner, upper_right_corner)
 
     @property
     def filename(self):

From 5b4453c3a9a15a6f0b1e47c61f40194ef1bd4db0 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Tue, 12 Jul 2022 15:39:29 -0500
Subject: [PATCH 0561/2654] remove dilute_inital from regression test

---
 tests/regression_tests/deplete_no_transport/test.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/tests/regression_tests/deplete_no_transport/test.py b/tests/regression_tests/deplete_no_transport/test.py
index 1133a039c..cdc8c057c 100644
--- a/tests/regression_tests/deplete_no_transport/test.py
+++ b/tests/regression_tests/deplete_no_transport/test.py
@@ -47,7 +47,7 @@ def test_no_transport(run_in_tmpdir, vol_nuc, multiproc):
     micro_xs = FluxDepletionOperator.create_micro_xs_from_csv(micro_xs_file)
     chain_file = Path(__file__).parents[2] / 'chain_simple.xml'
     flux = 1164719970082145.0 # flux from pincell example
-    op = FluxDepletionOperator(vol_nuc[0], vol_nuc[1], micro_xs, flux, chain_file, dilute_initial=0.0)
+    op = FluxDepletionOperator(vol_nuc[0], vol_nuc[1], micro_xs, flux, chain_file)
 
     # Power and timesteps
     dt = [30] # single step

From 39b008df26a449c737caa41238725eb4ed47fd04 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Tue, 12 Jul 2022 16:07:59 -0500
Subject: [PATCH 0562/2654] Remove __enter__, __exit__ methods from
 TransportOperator This commit removes the context manager for switching
 directories from the TransportOperator class, and moves this functionality to
 a module-level function, change_directory.

---
 openmc/deplete/abc.py | 45 +++++++++++++++++++++++++++++--------------
 1 file changed, 31 insertions(+), 14 deletions(-)

diff --git a/openmc/deplete/abc.py b/openmc/deplete/abc.py
index a4f80e3d6..a7cde4afa 100644
--- a/openmc/deplete/abc.py
+++ b/openmc/deplete/abc.py
@@ -10,6 +10,7 @@ from collections.abc import Iterable, Callable
 from copy import deepcopy
 from inspect import signature
 from numbers import Real, Integral
+from contextlib import contextmanager
 import os
 from pathlib import Path
 import sys
@@ -56,6 +57,23 @@ except AttributeError:
     # Can't set __doc__ on properties on Python 3.4
     pass
 
+@contextmanager
+def change_directory(output_dir):
+    """
+    Helper function for managing the current directory.
+
+    Parameters
+    ----------
+    output_dir : pathlib.Path
+        Directory to switch to.
+    """
+    _orig_dir  = os.getcwd()
+    try:
+        output_dir.mkdir(exist_ok=True)
+        os.chdir(output_dir)
+        yield
+    finally:
+        os.chdir(_orig_dir)
 
 class TransportOperator(ABC):
     """Abstract class defining a transport operator
@@ -87,9 +105,14 @@ class TransportOperator(ABC):
         Initial atom density [atoms/cm^3] to add for nuclides that are zero
         in initial condition to ensure they exist in the decay chain.
         Only done for nuclides with reaction rates.
+    output_dir : pathlib.Path
+        Path to output directory to save results.
     prev_res : Results or None
         Results from a previous depletion calculation. ``None`` if no
         results are to be used.
+    chain : openmc.deplete.Chain
+        The depletion chain information necessary to form matrices and tallies.
+
     """
     def __init__(self, chain_file, fission_q=None, dilute_initial=1.0e3,
                  prev_results=None):
@@ -133,18 +156,6 @@ class TransportOperator(ABC):
 
         """
 
-    def __enter__(self):
-        # Save current directory and move to specific output directory
-        self._orig_dir = os.getcwd()
-        self.output_dir.mkdir(exist_ok=True)
-        os.chdir(self.output_dir)
-
-        return self.initial_condition()
-
-    def __exit__(self, exc_type, exc_value, traceback):
-        self.finalize()
-        os.chdir(self._orig_dir)
-
     @property
     def output_dir(self):
         return self._output_dir
@@ -775,7 +786,8 @@ class Integrator(ABC):
 
             .. versionadded:: 0.13.1
         """
-        with self.operator as conc:
+        with change_directory(self.operator.output_dir):
+            conc = self.operator.initial_condition()
             t, self._i_res = self._get_start_data()
 
             for i, (dt, source_rate) in enumerate(self):
@@ -814,6 +826,8 @@ class Integrator(ABC):
                          source_rate, self._i_res + len(self), proc_time)
             self.operator.write_bos_data(len(self) + self._i_res)
 
+        self.operator.finalize()
+
 
 @add_params
 class SIIntegrator(Integrator):
@@ -931,7 +945,8 @@ class SIIntegrator(Integrator):
 
             .. versionadded:: 0.13.1
         """
-        with self.operator as conc:
+        with change_directory(self.operator.output_dir):
+            conc = self.operator.initial_condition()
             t, self._i_res = self._get_start_data()
 
             for i, (dt, p) in enumerate(self):
@@ -967,6 +982,8 @@ class SIIntegrator(Integrator):
                          p, self._i_res + len(self), proc_time)
             self.operator.write_bos_data(self._i_res + len(self))
 
+        self.operator.finalize()
+
 
 class DepSystemSolver(ABC):
     r"""Abstract class for solving depletion equations

From f5db4e3afb41ff1b56639ccf157e0256b0b5a19f Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Tue, 12 Jul 2022 18:30:29 -0500
Subject: [PATCH 0563/2654] move reuasble code to new parent class; 1st pass

- new class OpenMCOperator to contain shared bits of code between the
  currently existing Operator class and the as-of-yet to be created
  FluxDepletionOperator class
- Operator is now a subclass of OpenMCOperator
- move _distribute method to OpenMCOperator
- move _get_burnable_mats, _extract_number, _set_number_from_mat,
  _set_number_from_results to OpenMCOperator
- split initial condition into openmc.lib dependent and non-dependent
  parts; dependent part goes to Operator, non-dependent part goes to
  OpenMCOperator
- move _update_materials to OpenMCOperator
- move _get_tally_nuclides to OpenMCOperator
- rename _unpack_tallies_and_normalize to _calculate_reaction_rates;
  move to OpenMCOperator
- move get_results_info to OpenMCOperator
---
 openmc/deplete/__init__.py        |   1 +
 openmc/deplete/openmc_operator.py | 522 ++++++++++++++++++++++++++++++
 openmc/deplete/operator.py        | 331 +------------------
 3 files changed, 535 insertions(+), 319 deletions(-)
 create mode 100644 openmc/deplete/openmc_operator.py

diff --git a/openmc/deplete/__init__.py b/openmc/deplete/__init__.py
index 5891555a2..95264308c 100644
--- a/openmc/deplete/__init__.py
+++ b/openmc/deplete/__init__.py
@@ -7,6 +7,7 @@ A depletion front-end tool.
 
 from .nuclide import *
 from .chain import *
+from .openmc_operator import *
 from .operator import *
 from .reaction_rates import *
 from .atom_number import *
diff --git a/openmc/deplete/openmc_operator.py b/openmc/deplete/openmc_operator.py
new file mode 100644
index 000000000..303a5208f
--- /dev/null
+++ b/openmc/deplete/openmc_operator.py
@@ -0,0 +1,522 @@
+"""OpenMC transport operator
+
+This module implements a transport operator for OpenMC so that it can be used by
+depletion integrators. The implementation makes use of the Python bindings to
+OpenMC's C API so that reading tally results and updating material number
+densities is all done in-memory instead of through the filesystem.
+
+"""
+
+import copy
+from abc import abstractmethod
+from collections import OrderedDict
+import os
+from warnings import warn
+
+import numpy as np
+
+import openmc
+from openmc.exceptions import DataError
+from openmc.mpi import comm
+from .abc import TransportOperator, OperatorResult
+from .atom_number import AtomNumber
+from .reaction_rates import ReactionRates
+from .results import Results
+from .helpers import (
+    DirectReactionRateHelper, ChainFissionHelper, ConstantFissionYieldHelper,
+    FissionYieldCutoffHelper, AveragedFissionYieldHelper, EnergyScoreHelper,
+    SourceRateHelper, FluxCollapseHelper)
+
+
+__all__ = ["OpenMCOperator", "OperatorResult"]
+
+
+def _distribute(items):
+    """Distribute items across MPI communicator
+
+    Parameters
+    ----------
+    items : list
+        List of items of distribute
+
+    Returns
+    -------
+    list
+        Items assigned to process that called
+
+    """
+    min_size, extra = divmod(len(items), comm.size)
+    j = 0
+    for i in range(comm.size):
+        chunk_size = min_size + int(i < extra)
+        if comm.rank == i:
+            return items[j:j + chunk_size]
+        j += chunk_size
+
+class OpenMCOperator(TransportOperator):
+    """OpenMC transport operator for depletion.
+
+    Instances of this class can be used to perform depletion using OpenMC as the
+    transport operator. Normally, a user needn't call methods of this class
+    directly. Instead, an instance of this class is passed to an integrator
+    class, such as :class:`openmc.deplete.CECMIntegrator`.
+
+    .. versionchanged:: 0.13.0
+        The geometry and settings parameters have been replaced with a
+        model parameter that takes a :class:`~openmc.model.Model` object
+
+    Parameters
+    ----------
+    chain_file : str, optional
+        Path to the depletion chain XML file.  Defaults to the file
+        listed under ``depletion_chain`` in
+        :envvar:`OPENMC_CROSS_SECTIONS` environment variable.
+    prev_results : Results, optional
+        Results from a previous depletion calculation. If this argument is
+        specified, the depletion calculation will start from the latest state
+        in the previous results.
+    fission_q : dict, optional
+        Dictionary of nuclides and their fission Q values [eV]. If not given,
+        values will be pulled from the ``chain_file``. Only applicable
+        if ``"normalization_mode" == "fission-q"``
+    dilute_initial : float, optional
+        Initial atom density [atoms/cm^3] to add for nuclides that are zero
+        in initial condition to ensure they exist in the decay chain.
+        Only done for nuclides with reaction rates.
+        Defaults to 1.0e3.
+
+    Attributes
+    ----------
+    model : openmc.model.Model
+        OpenMC model object
+    geometry : openmc.Geometry
+        OpenMC geometry object
+    settings : openmc.Settings
+        OpenMC settings object
+    dilute_initial : float
+        Initial atom density [atoms/cm^3] to add for nuclides that
+        are zero in initial condition to ensure they exist in the decay
+        chain. Only done for nuclides with reaction rates.
+    output_dir : pathlib.Path
+        Path to output directory to save results.
+    round_number : bool
+        Whether or not to round output to OpenMC to 8 digits.
+        Useful in testing, as OpenMC is incredibly sensitive to exact values.
+    number : openmc.deplete.AtomNumber
+        Total number of atoms in simulation.
+    nuclides_with_data : set of str
+        A set listing all unique nuclides available from cross_sections.xml.
+    chain : openmc.deplete.Chain
+        The depletion chain information necessary to form matrices and tallies.
+    reaction_rates : openmc.deplete.ReactionRates
+        Reaction rates from the last operator step.
+    burnable_mats : list of str
+        All burnable material IDs
+    heavy_metal : float
+        Initial heavy metal inventory [g]
+    local_mats : list of str
+        All burnable material IDs being managed by a single process
+    prev_res : Results or None
+        Results from a previous depletion calculation. ``None`` if no
+        results are to be used.
+    cleanup_when_done : bool
+        Whether to finalize and clear the shared library memory when the
+        depletion operation is complete. Defaults to clearing the library.
+    """
+
+    ## modify
+    def __init__(self, chain_file=None, fission_q=None, dilute_initial=0.0, prev_results=None):
+
+        super().__init__(chain_file, fission_q, dilute_initial, prev_results)
+
+    ## clear, but we must keep the method
+    def __call__(self, vec, source_rate):
+        """Runs a simulation.
+
+        Simulation will abort under the following circumstances:
+
+            1) No energy is computed using OpenMC tallies.
+
+        Parameters
+        ----------
+        vec : list of numpy.ndarray
+            Total atoms to be used in function.
+        source_rate : float
+            Power in [W] or source rate in [neutron/sec]
+
+        Returns
+        -------
+        openmc.deplete.OperatorResult
+            Eigenvalue and reaction rates resulting from transport operator
+
+        """
+
+    ## clear, but must keep the method
+    def write_bos_data(step):
+        """Write a state-point file with beginning of step data
+
+        Parameters
+        ----------
+        step : int
+            Current depletion step including restarts
+        """
+        pass
+
+    ## keep
+    def _get_burnable_mats(self):
+        """Determine depletable materials, volumes, and nuclides
+
+        Returns
+        -------
+        burnable_mats : list of str
+            List of burnable material IDs
+        volume : OrderedDict of str to float
+            Volume of each material in [cm^3]
+        nuclides : list of str
+            Nuclides in order of how they'll appear in the simulation.
+
+        """
+
+        burnable_mats = set()
+        model_nuclides = set()
+        volume = OrderedDict()
+
+        self.heavy_metal = 0.0
+
+        # Iterate once through the geometry to get dictionaries
+        for mat in self.materials:
+            for nuclide in mat.get_nuclides():
+                model_nuclides.add(nuclide)
+            if mat.depletable:
+                burnable_mats.add(str(mat.id))
+                if mat.volume is None:
+                    raise RuntimeError("Volume not specified for depletable "
+                                       "material with ID={}.".format(mat.id))
+                volume[str(mat.id)] = mat.volume
+                self.heavy_metal += mat.fissionable_mass
+
+        # Make sure there are burnable materials
+        if not burnable_mats:
+            raise RuntimeError(
+                "No depletable materials were found in the model.")
+
+        # Sort the sets
+        burnable_mats = sorted(burnable_mats, key=int)
+        model_nuclides = sorted(model_nuclides)
+
+        # Construct a global nuclide dictionary, burned first
+        nuclides = list(self.chain.nuclide_dict)
+        for nuc in model_nuclides:
+            if nuc not in nuclides:
+                nuclides.append(nuc)
+
+        return burnable_mats, volume, nuclides
+
+    ## keep
+    def _extract_number(self, local_mats, volume, nuclides, prev_res=None):
+        """Construct AtomNumber using geometry
+
+        Parameters
+        ----------
+        local_mats : list of str
+            Material IDs to be managed by this process
+        volume : OrderedDict of str to float
+            Volumes for the above materials in [cm^3]
+        nuclides : list of str
+            Nuclides to be used in the simulation.
+        prev_res : Results, optional
+            Results from a previous depletion calculation
+
+        """
+        self.number = AtomNumber(local_mats, nuclides, volume, len(self.chain))
+
+        if self.dilute_initial != 0.0:
+            for nuc in self._burnable_nucs:
+                self.number.set_atom_density(np.s_[:], nuc, self.dilute_initial)
+
+        # Now extract and store the number densities
+        # From the geometry if no previous depletion results
+        if prev_res is None:
+            for mat in self.materials:
+                if str(mat.id) in local_mats:
+                    self._set_number_from_mat(mat)
+
+        # Else from previous depletion results
+        else:
+            for mat in self.materials:
+                if str(mat.id) in local_mats:
+                    self._set_number_from_results(mat, prev_res)
+
+    def _set_number_from_mat(self, mat):
+        """Extracts material and number densities from openmc.Material
+
+        Parameters
+        ----------
+        mat : openmc.Material
+            The material to read from
+
+        """
+        mat_id = str(mat.id)
+
+        for nuclide, atom_per_bcm in mat.get_nuclide_atom_densities().items():
+            atom_per_cc = atom_per_bcm * 1.0e24
+            self.number.set_atom_density(mat_id, nuclide, atom_per_cc)
+
+    def _set_number_from_results(self, mat, prev_res):
+        """Extracts material nuclides and number densities.
+
+        If the nuclide concentration's evolution is tracked, the densities come
+        from depletion results. Else, densities are extracted from the geometry
+        in the summary.
+
+        Parameters
+        ----------
+        mat : openmc.Material
+            The material to read from
+        prev_res : Results
+            Results from a previous depletion calculation
+
+        """
+        mat_id = str(mat.id)
+
+        # Get nuclide lists from geometry and depletion results
+        depl_nuc = prev_res[-1].nuc_to_ind
+        geom_nuc_densities = mat.get_nuclide_atom_densities()
+
+        # Merge lists of nuclides, with the same order for every calculation
+        geom_nuc_densities.update(depl_nuc)
+
+        for nuclide, atom_per_bcm in geom_nuc_densities.items():
+            if nuclide in depl_nuc:
+                concentration = prev_res.get_atoms(mat_id, nuclide)[1][-1]
+                volume = prev_res[-1].volume[mat_id]
+                atom_per_cc = concentration / volume
+            else:
+                atom_per_cc = atom_per_bcm * 1.0e24
+
+            self.number.set_atom_density(mat_id, nuclide, atom_per_cc)
+
+    ## keep, will need to modify
+    def initial_condition(self, materials):
+        """Performs final setup and returns initial condition.
+
+        Parameters
+        ----------
+        materials : ???
+
+        Returns
+        -------
+        list of numpy.ndarray
+            Total density for initial conditions.
+        """
+
+        self._rate_helper.generate_tallies(materials, self.chain.reactions)
+        self._normalization_helper.prepare(
+            self.chain.nuclides, self.reaction_rates.index_nuc)
+        # Tell fission yield helper what materials this process is
+        # responsible for
+        self._yield_helper.generate_tallies(
+            materials, tuple(sorted(self._mat_index_map.values())))
+
+        # Return number density vector
+        return list(self.number.get_mat_slice(np.s_[:]))
+
+    ## keep? there is a non-removable part of this
+    ## that needs the openmc c executable
+    def _update_materials(self):
+        """Updates material compositions in OpenMC on all processes."""
+
+        for rank in range(comm.size):
+            number_i = comm.bcast(self.number, root=rank)
+
+            for mat in number_i.materials:
+                nuclides = []
+                densities = []
+                for nuc in number_i.nuclides:
+                    if nuc in self.nuclides_with_data:
+                        val = 1.0e-24 * number_i.get_atom_density(mat, nuc)
+
+                        # If nuclide is zero, do not add to the problem.
+                        if val > 0.0:
+                            if self.round_number:
+                                val_magnitude = np.floor(np.log10(val))
+                                val_scaled = val / 10**val_magnitude
+                                val_round = round(val_scaled, 8)
+
+                                val = val_round * 10**val_magnitude
+
+                            nuclides.append(nuc)
+                            densities.append(val)
+                        else:
+                            # Only output warnings if values are significantly
+                            # negative. CRAM does not guarantee positive values.
+                            if val < -1.0e-21:
+                                print("WARNING: nuclide ", nuc, " in material ", mat,
+                                      " is negative (density = ", val, " at/barn-cm)")
+                            number_i[mat, nuc] = 0.0
+
+                # Update densities on C API side
+                mat_internal = openmc.lib.materials[int(mat)]
+                mat_internal.set_densities(nuclides, densities)
+
+                #TODO Update densities on the Python side, otherwise the
+                # summary.h5 file contains densities at the first time step
+
+    ## keep, but rename and modify docstring
+    ## get_tally_nuclides
+    def _get_tally_nuclides(self):
+        """Determine nuclides that should be tallied for reaction rates.
+
+        This method returns a list of all nuclides that have neutron data and
+        are listed in the depletion chain. Technically, we should tally nuclides
+        that may not appear in the depletion chain because we still need to get
+        the fission reaction rate for these nuclides in order to normalize
+        power, but that is left as a future exercise.
+
+        Returns
+        -------
+        list of str
+            Tally nuclides
+
+        """
+        nuc_set = set()
+
+        # Create the set of all nuclides in the decay chain in materials marked
+        # for burning in which the number density is greater than zero.
+        for nuc in self.number.nuclides:
+            if nuc in self.nuclides_with_data:
+                if np.sum(self.number[:, nuc]) > 0.0:
+                    nuc_set.add(nuc)
+
+        # Communicate which nuclides have nonzeros to rank 0
+        if comm.rank == 0:
+            for i in range(1, comm.size):
+                nuc_newset = comm.recv(source=i, tag=i)
+                nuc_set |= nuc_newset
+        else:
+            comm.send(nuc_set, dest=0, tag=comm.rank)
+
+        if comm.rank == 0:
+            # Sort nuclides in the same order as self.number
+            nuc_list = [nuc for nuc in self.number.nuclides
+                        if nuc in nuc_set]
+        else:
+            nuc_list = None
+
+        # Store list of tally nuclides on each process
+        nuc_list = comm.bcast(nuc_list)
+        return [nuc for nuc in nuc_list if nuc in self.chain]
+
+    ## modify
+    ## the tally-specific methods
+    ## for the normalization and fission helper classes
+    ## will already work with the current implementation.
+    ## For transport-less depletion, we'll need to write
+    ## a new ReactionRateHelper
+    def _calculate_reaction_rates(self, source_rate):
+        """Unpack tallies from OpenMC and return an operator result
+
+        This method uses OpenMC's C API bindings to determine the k-effective
+        value and reaction rates from the simulation. The reaction rates are
+        normalized by a helper class depending on the method being used.
+
+        Parameters
+        ----------
+        source_rate : float
+            Power in [W] or source rate in [neutron/sec]
+
+        Returns
+        -------
+        rates : openmc.deplete.ReactionRates
+            Reaction rates for nuclides
+
+        """
+        rates = self.reaction_rates
+        rates.fill(0.0)
+
+        # Extract tally bins
+        nuclides = self._rate_helper.nuclides
+
+        # Form fast map
+        nuc_ind = [rates.index_nuc[nuc] for nuc in nuclides]
+        react_ind = [rates.index_rx[react] for react in self.chain.reactions]
+
+        # Keep track of energy produced from all reactions in eV per source
+        # particle
+        self._normalization_helper.reset()
+        self._yield_helper.unpack()
+
+        # Store fission yield dictionaries
+        fission_yields = []
+
+        # Create arrays to store fission Q values, reaction rates, and nuclide
+        # numbers, zeroed out in material iteration
+        number = np.empty(rates.n_nuc)
+
+        fission_ind = rates.index_rx.get("fission")
+
+        # Extract results
+        for i, mat in enumerate(self.local_mats):
+            # Get tally index
+            mat_index = self._mat_index_map[mat]
+
+            # Zero out reaction rates and nuclide numbers
+            number.fill(0.0)
+
+            # Get new number densities
+            for nuc, i_nuc_results in zip(nuclides, nuc_ind):
+                number[i_nuc_results] = self.number[mat, nuc]
+
+            tally_rates = self._rate_helper.get_material_rates(
+                mat_index, nuc_ind, react_ind)
+
+            # Compute fission yields for this material
+            fission_yields.append(self._yield_helper.weighted_yields(i))
+
+            # Accumulate energy from fission
+            if fission_ind is not None:
+                self._normalization_helper.update(tally_rates[:, fission_ind])
+
+            # Divide by total number and store
+            rates[i] = self._rate_helper.divide_by_adens(number)
+
+        # Scale reaction rates to obtain units of reactions/sec
+        rates *= self._normalization_helper.factor(source_rate)
+
+        # Store new fission yields on the chain
+        self.chain.fission_yields = fission_yields
+
+        return rates
+
+    @abstractmethod
+    def _get_nuclides_with_data(self):
+        """Find nuclides with cross section data"""
+
+    ## Keep
+    def get_results_info(self):
+        """Returns volume list, material lists, and nuc lists.
+
+        Returns
+        -------
+        volume : dict of str float
+            Volumes corresponding to materials in full_burn_dict
+        nuc_list : list of str
+            A list of all nuclide names. Used for sorting the simulation.
+        burn_list : list of int
+            A list of all material IDs to be burned.  Used for sorting the simulation.
+        full_burn_list : list
+            List of all burnable material IDs
+
+        """
+        nuc_list = self.number.burnable_nuclides
+        burn_list = self.local_mats
+
+        volume = {}
+        for i, mat in enumerate(burn_list):
+            volume[mat] = self.number.volume[i]
+
+        # Combine volume dictionaries across processes
+        volume_list = comm.allgather(volume)
+        volume = {k: v for d in volume_list for k, v in d.items()}
+
+        return volume, nuc_list, burn_list, self.burnable_mats
diff --git a/openmc/deplete/operator.py b/openmc/deplete/operator.py
index 7ef874e87..665de1999 100644
--- a/openmc/deplete/operator.py
+++ b/openmc/deplete/operator.py
@@ -24,6 +24,7 @@ from openmc.mpi import comm
 from .abc import TransportOperator, OperatorResult
 from .atom_number import AtomNumber
 from .chain import _find_chain_file
+from .openmc_operator import OpenMCOperator, _distribute
 from .reaction_rates import ReactionRates
 from .results import Results
 from .helpers import (
@@ -34,30 +35,6 @@ from .helpers import (
 
 __all__ = ["Operator", "OperatorResult"]
 
-
-def _distribute(items):
-    """Distribute items across MPI communicator
-
-    Parameters
-    ----------
-    items : list
-        List of items of distribute
-
-    Returns
-    -------
-    list
-        Items assigned to process that called
-
-    """
-    min_size, extra = divmod(len(items), comm.size)
-    j = 0
-    for i in range(comm.size):
-        chunk_size = min_size + int(i < extra)
-        if comm.rank == i:
-            return items[j:j + chunk_size]
-        j += chunk_size
-
-
 def _find_cross_sections(model):
     """Determine cross sections to use for depletion"""
     if model.materials and model.materials.cross_sections is not None:
@@ -74,7 +51,7 @@ def _find_cross_sections(model):
     return cross_sections
 
 
-class Operator(TransportOperator):
+class Operator(OpenMCOperator):
     """OpenMC transport operator for depletion.
 
     Instances of this class can be used to perform depletion using OpenMC as the
@@ -267,7 +244,7 @@ class Operator(TransportOperator):
 
         # Clear out OpenMC, create task lists, distribute
         openmc.reset_auto_ids()
-        self.burnable_mats, volume, nuclides = self._get_burnable_mats()
+        self.burnable_mats, volume, nuclides = super()._get_burnable_mats()
         self.local_mats = _distribute(self.burnable_mats)
 
         # Generate map from local materials => material index
@@ -298,7 +275,7 @@ class Operator(TransportOperator):
                                if nuc.name in self.nuclides_with_data]
 
         # Extract number densities from the geometry / previous depletion run
-        self._extract_number(self.local_mats, volume, nuclides, self.prev_res)
+        super()._extract_number(self.local_mats, volume, nuclides, self.prev_res)
 
         # Create reaction rates array
         self.reaction_rates = ReactionRates(
@@ -380,7 +357,7 @@ class Operator(TransportOperator):
         openmc.reset_auto_ids()
 
         # Update tally nuclides data in preparation for transport solve
-        nuclides = self._get_tally_nuclides()
+        nuclides = super()._get_tally_nuclides()
         self._rate_helper.nuclides = nuclides
         self._normalization_helper.nuclides = nuclides
         self._yield_helper.update_tally_nuclides(nuclides)
@@ -390,7 +367,12 @@ class Operator(TransportOperator):
         openmc.lib.reset_timers()
 
         # Extract results
-        op_result = self._unpack_tallies_and_normalize(source_rate)
+        rates = self._calculate_reaction_rates(source_rate)
+
+        # Get k and uncertainty
+        keff = ufloat(*openmc.lib.keff())
+
+        op_result = OperatorResult(keff, rates)
 
         return copy.deepcopy(op_result)
 
@@ -434,138 +416,6 @@ class Operator(TransportOperator):
                     cell.fill = [mat.clone()
                                  for i in range(cell.num_instances)]
 
-    def _get_burnable_mats(self):
-        """Determine depletable materials, volumes, and nuclides
-
-        Returns
-        -------
-        burnable_mats : list of str
-            List of burnable material IDs
-        volume : OrderedDict of str to float
-            Volume of each material in [cm^3]
-        nuclides : list of str
-            Nuclides in order of how they'll appear in the simulation.
-
-        """
-
-        burnable_mats = set()
-        model_nuclides = set()
-        volume = OrderedDict()
-
-        self.heavy_metal = 0.0
-
-        # Iterate once through the geometry to get dictionaries
-        for mat in self.materials:
-            for nuclide in mat.get_nuclides():
-                model_nuclides.add(nuclide)
-            if mat.depletable:
-                burnable_mats.add(str(mat.id))
-                if mat.volume is None:
-                    raise RuntimeError("Volume not specified for depletable "
-                                       "material with ID={}.".format(mat.id))
-                volume[str(mat.id)] = mat.volume
-                self.heavy_metal += mat.fissionable_mass
-
-        # Make sure there are burnable materials
-        if not burnable_mats:
-            raise RuntimeError(
-                "No depletable materials were found in the model.")
-
-        # Sort the sets
-        burnable_mats = sorted(burnable_mats, key=int)
-        model_nuclides = sorted(model_nuclides)
-
-        # Construct a global nuclide dictionary, burned first
-        nuclides = list(self.chain.nuclide_dict)
-        for nuc in model_nuclides:
-            if nuc not in nuclides:
-                nuclides.append(nuc)
-
-        return burnable_mats, volume, nuclides
-
-    def _extract_number(self, local_mats, volume, nuclides, prev_res=None):
-        """Construct AtomNumber using geometry
-
-        Parameters
-        ----------
-        local_mats : list of str
-            Material IDs to be managed by this process
-        volume : OrderedDict of str to float
-            Volumes for the above materials in [cm^3]
-        nuclides : list of str
-            Nuclides to be used in the simulation.
-        prev_res : Results, optional
-            Results from a previous depletion calculation
-
-        """
-        self.number = AtomNumber(local_mats, nuclides, volume, len(self.chain))
-
-        if self.dilute_initial != 0.0:
-            for nuc in self._burnable_nucs:
-                self.number.set_atom_density(np.s_[:], nuc, self.dilute_initial)
-
-        # Now extract and store the number densities
-        # From the geometry if no previous depletion results
-        if prev_res is None:
-            for mat in self.materials:
-                if str(mat.id) in local_mats:
-                    self._set_number_from_mat(mat)
-
-        # Else from previous depletion results
-        else:
-            for mat in self.materials:
-                if str(mat.id) in local_mats:
-                    self._set_number_from_results(mat, prev_res)
-
-    def _set_number_from_mat(self, mat):
-        """Extracts material and number densities from openmc.Material
-
-        Parameters
-        ----------
-        mat : openmc.Material
-            The material to read from
-
-        """
-        mat_id = str(mat.id)
-
-        for nuclide, atom_per_bcm in mat.get_nuclide_atom_densities().items():
-            atom_per_cc = atom_per_bcm * 1.0e24
-            self.number.set_atom_density(mat_id, nuclide, atom_per_cc)
-
-    def _set_number_from_results(self, mat, prev_res):
-        """Extracts material nuclides and number densities.
-
-        If the nuclide concentration's evolution is tracked, the densities come
-        from depletion results. Else, densities are extracted from the geometry
-        in the summary.
-
-        Parameters
-        ----------
-        mat : openmc.Material
-            The material to read from
-        prev_res : Results
-            Results from a previous depletion calculation
-
-        """
-        mat_id = str(mat.id)
-
-        # Get nuclide lists from geometry and depletion results
-        depl_nuc = prev_res[-1].nuc_to_ind
-        geom_nuc_densities = mat.get_nuclide_atom_densities()
-
-        # Merge lists of nuclides, with the same order for every calculation
-        geom_nuc_densities.update(depl_nuc)
-
-        for nuclide, atom_per_bcm in geom_nuc_densities.items():
-            if nuclide in depl_nuc:
-                concentration = prev_res.get_atoms(mat_id, nuclide)[1][-1]
-                volume = prev_res[-1].volume[mat_id]
-                atom_per_cc = concentration / volume
-            else:
-                atom_per_cc = atom_per_bcm * 1.0e24
-
-            self.number.set_atom_density(mat_id, nuclide, atom_per_cc)
-
     def initial_condition(self):
         """Performs final setup and returns initial condition.
 
@@ -589,16 +439,8 @@ class Operator(TransportOperator):
         # Generate tallies in memory
         materials = [openmc.lib.materials[int(i)]
                      for i in self.burnable_mats]
-        self._rate_helper.generate_tallies(materials, self.chain.reactions)
-        self._normalization_helper.prepare(
-            self.chain.nuclides, self.reaction_rates.index_nuc)
-        # Tell fission yield helper what materials this process is
-        # responsible for
-        self._yield_helper.generate_tallies(
-            materials, tuple(sorted(self._mat_index_map.values())))
 
-        # Return number density vector
-        return list(self.number.get_mat_slice(np.s_[:]))
+        return super().initial_condition(materials)
 
     def finalize(self):
         """Finalize a depletion simulation and release resources."""
@@ -659,127 +501,6 @@ class Operator(TransportOperator):
 
         self.materials.export_to_xml()
 
-    def _get_tally_nuclides(self):
-        """Determine nuclides that should be tallied for reaction rates.
-
-        This method returns a list of all nuclides that have neutron data and
-        are listed in the depletion chain. Technically, we should tally nuclides
-        that may not appear in the depletion chain because we still need to get
-        the fission reaction rate for these nuclides in order to normalize
-        power, but that is left as a future exercise.
-
-        Returns
-        -------
-        list of str
-            Tally nuclides
-
-        """
-        nuc_set = set()
-
-        # Create the set of all nuclides in the decay chain in materials marked
-        # for burning in which the number density is greater than zero.
-        for nuc in self.number.nuclides:
-            if nuc in self.nuclides_with_data:
-                if np.sum(self.number[:, nuc]) > 0.0:
-                    nuc_set.add(nuc)
-
-        # Communicate which nuclides have nonzeros to rank 0
-        if comm.rank == 0:
-            for i in range(1, comm.size):
-                nuc_newset = comm.recv(source=i, tag=i)
-                nuc_set |= nuc_newset
-        else:
-            comm.send(nuc_set, dest=0, tag=comm.rank)
-
-        if comm.rank == 0:
-            # Sort nuclides in the same order as self.number
-            nuc_list = [nuc for nuc in self.number.nuclides
-                        if nuc in nuc_set]
-        else:
-            nuc_list = None
-
-        # Store list of tally nuclides on each process
-        nuc_list = comm.bcast(nuc_list)
-        return [nuc for nuc in nuc_list if nuc in self.chain]
-
-    def _unpack_tallies_and_normalize(self, source_rate):
-        """Unpack tallies from OpenMC and return an operator result
-
-        This method uses OpenMC's C API bindings to determine the k-effective
-        value and reaction rates from the simulation. The reaction rates are
-        normalized by a helper class depending on the method being used.
-
-        Parameters
-        ----------
-        source_rate : float
-            Power in [W] or source rate in [neutron/sec]
-
-        Returns
-        -------
-        openmc.deplete.OperatorResult
-            Eigenvalue and reaction rates resulting from transport operator
-
-        """
-        rates = self.reaction_rates
-        rates.fill(0.0)
-
-        # Get k and uncertainty
-        keff = ufloat(*openmc.lib.keff())
-
-        # Extract tally bins
-        nuclides = self._rate_helper.nuclides
-
-        # Form fast map
-        nuc_ind = [rates.index_nuc[nuc] for nuc in nuclides]
-        react_ind = [rates.index_rx[react] for react in self.chain.reactions]
-
-        # Keep track of energy produced from all reactions in eV per source
-        # particle
-        self._normalization_helper.reset()
-        self._yield_helper.unpack()
-
-        # Store fission yield dictionaries
-        fission_yields = []
-
-        # Create arrays to store fission Q values, reaction rates, and nuclide
-        # numbers, zeroed out in material iteration
-        number = np.empty(rates.n_nuc)
-
-        fission_ind = rates.index_rx.get("fission")
-
-        # Extract results
-        for i, mat in enumerate(self.local_mats):
-            # Get tally index
-            mat_index = self._mat_index_map[mat]
-
-            # Zero out reaction rates and nuclide numbers
-            number.fill(0.0)
-
-            # Get new number densities
-            for nuc, i_nuc_results in zip(nuclides, nuc_ind):
-                number[i_nuc_results] = self.number[mat, nuc]
-
-            tally_rates = self._rate_helper.get_material_rates(
-                mat_index, nuc_ind, react_ind)
-
-            # Compute fission yields for this material
-            fission_yields.append(self._yield_helper.weighted_yields(i))
-
-            # Accumulate energy from fission
-            if fission_ind is not None:
-                self._normalization_helper.update(tally_rates[:, fission_ind])
-
-            # Divide by total number and store
-            rates[i] = self._rate_helper.divide_by_adens(number)
-
-        # Scale reaction rates to obtain units of reactions/sec
-        rates *= self._normalization_helper.factor(source_rate)
-
-        # Store new fission yields on the chain
-        self.chain.fission_yields = fission_yields
-
-        return OperatorResult(keff, rates)
-
     def _get_nuclides_with_data(self, cross_sections):
         """Loads cross_sections.xml file to find nuclides with neutron data"""
         nuclides = set()
@@ -792,31 +513,3 @@ class Operator(TransportOperator):
                     nuclides.add(name)
 
         return nuclides
-
-    def get_results_info(self):
-        """Returns volume list, material lists, and nuc lists.
-
-        Returns
-        -------
-        volume : dict of str float
-            Volumes corresponding to materials in full_burn_dict
-        nuc_list : list of str
-            A list of all nuclide names. Used for sorting the simulation.
-        burn_list : list of int
-            A list of all material IDs to be burned.  Used for sorting the simulation.
-        full_burn_list : list
-            List of all burnable material IDs
-
-        """
-        nuc_list = self.number.burnable_nuclides
-        burn_list = self.local_mats
-
-        volume = {}
-        for i, mat in enumerate(burn_list):
-            volume[mat] = self.number.volume[i]
-
-        # Combine volume dictionaries across processes
-        volume_list = comm.allgather(volume)
-        volume = {k: v for d in volume_list for k, v in d.items()}
-
-        return volume, nuc_list, burn_list, self.burnable_mats

From 8c9bb761e5d3838a33822f7fa283acab106cc736 Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erik.knudsen@copenhagenatomics.com>
Date: Wed, 13 Jul 2022 10:25:55 +0200
Subject: [PATCH 0564/2654] fix bugs and finalize interface to MCPL

---
 include/openmc/source.h | 22 +++++++------
 src/source.cpp          | 73 +++++++++++++++++++++++++----------------
 2 files changed, 57 insertions(+), 38 deletions(-)

diff --git a/include/openmc/source.h b/include/openmc/source.h
index 69dd47eae..4d7ec104a 100644
--- a/include/openmc/source.h
+++ b/include/openmc/source.h
@@ -12,6 +12,10 @@
 #include "openmc/particle.h"
 #include "openmc/vector.h"
 
+#ifdef OPENMC_MCPL
+#include <mcpl.h>
+#endif
+
 namespace openmc {
 
 //==============================================================================
@@ -100,6 +104,7 @@ private:
   vector<SourceSite> sites_; //!< Source sites from a file
 };
 
+#ifdef OPENMC_MCPL
 //==============================================================================
 // MCPL-file input source
 //==============================================================================
@@ -109,24 +114,21 @@ public:
   MCPLFileSource(std::string path);
   ~MCPLFileSource();
 
-  // Properties
-  ParticleType particle_type() const { return particle_; }
-
+  // Methods
   //! Sample from the external source distribution
   //! \param[inout] seed Pseudorandom seed pointer
   //! \return Site read from MCPL-file
-  SourceSite sample(uint64_t* seed) const override;
+  SourceSite sample(uint64_t* seed) const;
 
 private:
-  ParticleType particle_ {ParticleType::neutron}; //!< Type of particle emitted
+  SourceSite read_single_particle() const;
+  void read_source_bank(vector<SourceSite> &sites_);
+
   vector <SourceSite> sites_; //!<source sites from an MCPL-file
   mcpl_file_t mcpl_file;
-
-  uint64_t read_particles;
+  uint64_t n_sites;
 };
-
-
-
+#endif
 
 //==============================================================================
 //! Wrapper for custom sources that manages opening/closing shared library
diff --git a/src/source.cpp b/src/source.cpp
index 9ec1ff798..da761fc44 100644
--- a/src/source.cpp
+++ b/src/source.cpp
@@ -31,7 +31,7 @@
 #include "openmc/state_point.h"
 #include "openmc/xml_interface.h"
 
-#ifdef HAS_MCPL
+#ifdef OPENMC_MCPL
 #include <mcpl.h>
 #endif
 
@@ -336,6 +336,7 @@ CustomSourceWrapper::~CustomSourceWrapper()
 #endif
 }
 
+#ifdef OPENMC_MCPL
 //===========================================================================
 // Read particles from an MCPL-file
 //===========================================================================
@@ -351,54 +352,70 @@ MCPLFileSource::MCPLFileSource(std::string path)
   write_message(6, "Reading mcpl source file from {}",path);
 
   // Open the mcpl file
-  mcpl_file = mcpl_open(path.c_str);
+  mcpl_file = mcpl_open_file(path.c_str());
 
   //do checks on the mcpl_file to see if particles are many enough.
   // should model this on the example source shown in the docs.
-  uint64_t nparticles=mcpl_hdr_nparticles(mcpl_file);
+  n_sites=mcpl_hdr_nparticles(mcpl_file);
 
+  read_source_bank(sites_);
 }
 
-MCPLFileSource::~MCPLFilsSource(){
+MCPLFileSource::~MCPLFileSource(){
   mcpl_close_file(mcpl_file);
 }
 
-SourceSite MCPLFileSource::sample(uint64_t *seed){
-  SourceSite omc_particle;
-  mcpl_particle *mcpl_particle;
+SourceSite MCPLFileSource::sample(uint64_t* seed) const
+{
+  size_t i_site = sites_.size() * prn(seed);
+  return sites_[i_site];
+}
+
+void MCPLFileSource::read_source_bank(vector<SourceSite> &sites_)
+{
+  sites_.resize(n_sites);
+  for (int i=0;i<n_sites;i++){
+    sites_[i]=read_single_particle();
+  }
+}
+
+SourceSite MCPLFileSource::read_single_particle() const
+{
+  SourceSite omc_particle_;
+  const mcpl_particle_t *mcpl_particle;
   //extract particle from mcpl-file
-  mcpl_particle=mcpl_read(mcplfile);
-  // check if it is  a neutron or a photon. otherwise skip
-  while ( mcpl_particle->pdgcode!=2112 && mcpl_particle->pdgcode!=22 )
-  {
-    mcpl_particle(mcpl_read(mcplfile);
-    //check for file exhaustion
+  mcpl_particle=mcpl_read(mcpl_file);
+  // check if it is a neutron or a photon. otherwise skip
+  while ( mcpl_particle->pdgcode!=2112 && mcpl_particle->pdgcode!=22 ) {
+    mcpl_particle=mcpl_read(mcpl_file);
+    //should check for file exhaustion This could happen if particles are other than
+    //neutrons or photons
   }
 
   if(mcpl_particle->pdgcode==2112) {
-    omc_particle_=ParticleType::neutron;
-  } else if (mcpl_particle->pdgcode==22){
-    omc_particle_=Particletype::photon;
+    omc_particle_.particle=ParticleType::neutron;
+  } else if (mcpl_particle->pdgcode==22) {
+    omc_particle_.particle=ParticleType::photon;
   }
 
   //particle is good, convert to openmc-formalism
-  omc_particle.r.x=mcpl_particle.x;
-  omc_particle.r.y=mcpl_particle.y;
-  omc_particle.r.z=mcpl_particle.z;
+  omc_particle_.r.x=mcpl_particle->position[0];
+  omc_particle_.r.y=mcpl_particle->position[1];
+  omc_particle_.r.z=mcpl_particle->position[2];
 
-  omc_particle.u.x=mcpl_particle->direction[0];
-  omc_particle.u.y=mcpl_particle->direction[1];
-  omc_particle.u.z=mcpl_particle->direction[2];
+  omc_particle_.u.x=mcpl_particle->direction[0];
+  omc_particle_.u.y=mcpl_particle->direction[1];
+  omc_particle_.u.z=mcpl_particle->direction[2];
 
   //mcpl stores kinetic energy in MeV
-  omc_particle.E=mcpl_particle->ekin*1e6;
+  omc_particle_.E=mcpl_particle->ekin*1e6;
   //mcpl stores time in ms
-  omc_particle.t=mcpl_particle->time*1e-3;
-  omc_particle.wgt=mcpl_particle->weight;
-  omc_particle.delayed_group=0;
-  return omc_particle;
+  omc_particle_.time=mcpl_particle->time*1e-3;
+  omc_particle_.wgt=mcpl_particle->weight;
+  omc_particle_.delayed_group=0;
+  return omc_particle_;
 }
-
+#endif //OPENMC_MCPL
 
 //==============================================================================
 // Non-member functions

From 915d69fb3d217cf705158dba680b8f02a99208c7 Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erik.knudsen@copenhagenatomics.com>
Date: Wed, 13 Jul 2022 10:26:24 +0200
Subject: [PATCH 0565/2654] add an option to turn on mcpl-support

---
 CMakeLists.txt | 9 +++++++++
 1 file changed, 9 insertions(+)

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 85dcd7084..6af9643cd 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -36,6 +36,7 @@ option(OPENMC_ENABLE_COVERAGE "Compile with coverage analysis flags"
 option(OPENMC_USE_DAGMC       "Enable support for DAGMC (CAD) geometry"              OFF)
 option(OPENMC_USE_LIBMESH     "Enable support for libMesh unstructured mesh tallies" OFF)
 option(OPENMC_USE_MPI         "Enable MPI"                                           OFF)
+option(OPENMC_USE_MCPL        "Enable MPCPL"                                         OFF)
 
 #===============================================================================
 # Set a default build configuration if not explicitly specified
@@ -154,6 +155,10 @@ if(OPENMC_ENABLE_COVERAGE)
   list(APPEND ldflags --coverage)
 endif()
 
+if(OPENMC_USE_MCPL)
+  list(APPEND ldflags -lmcpl)
+endif()
+
 # Show flags being used
 message(STATUS "OpenMC C++ flags: ${cxxflags}")
 message(STATUS "OpenMC Linker flags: ${ldflags}")
@@ -408,6 +413,10 @@ endif()
 if (OPENMC_USE_MPI)
   target_compile_definitions(libopenmc PUBLIC -DOPENMC_MPI)
 endif()
+if(OPENMC_USE_MCPL)
+  target_compile_definitions(libopenmc PUBLIC -DOPENMC_MCPL)
+endif()
+
 
 # Set git SHA1 hash as a compile definition
 if(GIT_FOUND)

From b140eeb7cb4c7a1ee76172cd21c32c2e9951a24b Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erik.knudsen@copenhagenatomics.com>
Date: Wed, 13 Jul 2022 10:27:18 +0200
Subject: [PATCH 0566/2654] add a source type to the settings interface

---
 src/settings.cpp | 3 +++
 1 file changed, 3 insertions(+)

diff --git a/src/settings.cpp b/src/settings.cpp
index eb0d4936c..12e0a8050 100644
--- a/src/settings.cpp
+++ b/src/settings.cpp
@@ -430,6 +430,9 @@ void read_settings_xml()
     if (check_for_node(node, "file")) {
       auto path = get_node_value(node, "file", false, true);
       model::external_sources.push_back(make_unique<FileSource>(path));
+    } else if (check_for_node(node, "mcpl")) {
+      auto path = get_node_value(node, "mcpl", false, true);
+      model::external_sources.push_back(make_unique<MCPLFileSource>(path));
     } else if (check_for_node(node, "library")) {
       // Get shared library path and parameters
       auto path = get_node_value(node, "library", false, true);

From cd163ef0b91fb4acc30630528b0728d8bab3098e Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erik.knudsen@copenhagenatomics.com>
Date: Wed, 13 Jul 2022 12:13:10 +0200
Subject: [PATCH 0567/2654] only add mcpl-support if OPENMC_MCPL is defined

---
 src/settings.cpp | 2 ++
 1 file changed, 2 insertions(+)

diff --git a/src/settings.cpp b/src/settings.cpp
index 12e0a8050..d419cab06 100644
--- a/src/settings.cpp
+++ b/src/settings.cpp
@@ -430,9 +430,11 @@ void read_settings_xml()
     if (check_for_node(node, "file")) {
       auto path = get_node_value(node, "file", false, true);
       model::external_sources.push_back(make_unique<FileSource>(path));
+#ifdef OPENMC_MCPL
     } else if (check_for_node(node, "mcpl")) {
       auto path = get_node_value(node, "mcpl", false, true);
       model::external_sources.push_back(make_unique<MCPLFileSource>(path));
+#endif
     } else if (check_for_node(node, "library")) {
       // Get shared library path and parameters
       auto path = get_node_value(node, "library", false, true);

From a79233b3ec85f59647fb800da7db0973ce9365e8 Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erik.knudsen@copenhagenatomics.com>
Date: Wed, 13 Jul 2022 14:13:33 +0200
Subject: [PATCH 0568/2654] needed to avoid name clashes with other tests

---
 tests/regression_tests/source_mcpl_file/__init__.py | 0
 1 file changed, 0 insertions(+), 0 deletions(-)
 create mode 100644 tests/regression_tests/source_mcpl_file/__init__.py

diff --git a/tests/regression_tests/source_mcpl_file/__init__.py b/tests/regression_tests/source_mcpl_file/__init__.py
new file mode 100644
index 000000000..e69de29bb

From 1e849fe16239883531c1bb27ce80d826f4583dad Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 13 Jul 2022 11:09:35 -0500
Subject: [PATCH 0569/2654] Apply @JoffreyDorville suggestions from code review

Co-authored-by: Joffrey Dorville <54550047+JoffreyDorville@users.noreply.github.com>
---
 openmc/data/kalbach_mann.py                | 6 +++---
 tests/unit_tests/test_data_kalbach_mann.py | 4 ++--
 2 files changed, 5 insertions(+), 5 deletions(-)

diff --git a/openmc/data/kalbach_mann.py b/openmc/data/kalbach_mann.py
index 02403b3cc..a036da694 100644
--- a/openmc/data/kalbach_mann.py
+++ b/openmc/data/kalbach_mann.py
@@ -133,7 +133,7 @@ def _separation_energy(compound, nucleus, particle):
     N_a = nucleus.n
 
     # Determine breakup energy of incident particle (ENDF-6 Formats Manual,
-    # Appendix H, Table 3)
+    # Appendix H, Table 3) in MeV
     za_to_breaking_energy = {
         1: 0.0,
         1001: 0.0,
@@ -142,7 +142,7 @@ def _separation_energy(compound, nucleus, particle):
         2003: 7.718043,
         2004: 28.29566
     }
-    I_b = za_to_breaking_energy[particle.za]
+    I_a = za_to_breaking_energy[particle.za]
 
     # Eq. 4 in in doi:10.1103/PhysRevC.37.2350 or ENDF-6 Formats Manual section
     # 6.2.3.2
@@ -153,7 +153,7 @@ def _separation_energy(compound, nucleus, particle):
         33.22 * ((N_c - Z_c)**2 / A_c**(4./3.) - (N_a - Z_a)**2 / A_a**(4./3.)) -
         0.717 * (Z_c**2 / A_c**(1./3.) - Z_a**2 / A_a**(1./3.)) +
         1.211 * (Z_c**2 / A_c - Z_a**2 / A_a) -
-        I_b
+        I_a
     )
 
 
diff --git a/tests/unit_tests/test_data_kalbach_mann.py b/tests/unit_tests/test_data_kalbach_mann.py
index 931e236bd..3b837af7d 100644
--- a/tests/unit_tests/test_data_kalbach_mann.py
+++ b/tests/unit_tests/test_data_kalbach_mann.py
@@ -75,7 +75,7 @@ def test_atomic_representation(neutron, triton, b10, c12, c13, na23):
     assert triton.n == 2
     assert triton.za == 1003
 
-    # Test instanciation errors
+    # Test instantiation errors
     with pytest.raises(ValueError):
         _AtomicRepresentation(z=5, a=1)
     with pytest.raises(ValueError):
@@ -129,7 +129,7 @@ def test_kalbach_slope():
         ('Hg204.h5', 'n-080_Hg_204.endf')
     ]
 )
-def test_comparison_slope_hdf5(hdf5_filename, endf_type, endf_filename):
+def test_comparison_slope_hdf5(hdf5_filename, endf_filename):
     """Test the calculation of the Kalbach-Mann slope done by OpenMC
     by comparing it to HDF5 data. The test is based on the first product
     of MT=5 (neutron). The isotopes tested have been selected because the

From cd60109a77dd7a3e6a492ef734684af272fb5cce Mon Sep 17 00:00:00 2001
From: shimwell <mail@jshimwell.com>
Date: Wed, 13 Jul 2022 19:14:14 +0100
Subject: [PATCH 0570/2654] added bounding_region

---
 openmc/universe.py                            | 43 +++++++++++++++++++
 .../regression_tests/dagmc/universes/test.py  | 14 ++++++
 2 files changed, 57 insertions(+)

diff --git a/openmc/universe.py b/openmc/universe.py
index b65263ef9..2fd931506 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -713,6 +713,49 @@ class DAGMCUniverse(UniverseBase):
         dagmc_element.set('filename', self.filename)
         xml_element.append(dagmc_element)
 
+    def bounding_region(self, bounded_type='box', boundary_type='vacuum'):
+        """Creates a either a spherical or box shaped bounding region around
+        the DAGMC geometry.
+        Parameters
+        ----------
+        bounded_type : str
+            The type of bounding surface(s) to use when constructing the region.
+            Options include a single spherical surface (sphere) or a rectangle
+            made from siz planes (box).
+        boundary_type : str
+            Boundary condition that defines the behavior for particles hitting
+            the surface. Defaults to vacuum boundary condition. Passed into
+        Returns
+        -------
+        openmc.Region
+            Region instance
+        """
+
+        bounding_box = self.bounding_box
+
+        if bounded_type == 'sphere':
+            import math
+            bounding_box_center = (bounding_box[0] + bounding_box[1])/2
+            radius = math.dist(bounding_box[0], bounding_box[1])
+            bounding_surface = openmc.Sphere(x0=bounding_box_center[0], y0=bounding_box_center[1], z0=bounding_box_center[2], r=radius)
+
+            return -bounding_surface
+
+        if bounded_type == 'box':
+            # defines plane surfaces for all six faces of the bounding box
+            lower_x = openmc.XPlane(bounding_box[0][0], boundary_type=boundary_type)
+            upper_x = openmc.XPlane(bounding_box[1][0], boundary_type=boundary_type)
+            lower_y = openmc.YPlane(bounding_box[0][1], boundary_type=boundary_type)
+            upper_y = openmc.YPlane(bounding_box[1][1], boundary_type=boundary_type)
+            lower_z = openmc.ZPlane(bounding_box[0][2], boundary_type=boundary_type)
+            upper_z = openmc.ZPlane(bounding_box[1][2], boundary_type=boundary_type)
+
+            return +lower_x & -upper_x & +lower_y & -upper_y & +lower_z & -upper_z
+
+    def bounded_universe(self, **kwargs):
+        bounding_cell = openmc.Cell(fill=self, region=self.bounding_region(**kwargs))
+        return openmc.Universe(cells=[bounding_cell])
+
     @classmethod
     def from_hdf5(cls, group):
         """Create DAGMC universe from HDF5 group
diff --git a/tests/regression_tests/dagmc/universes/test.py b/tests/regression_tests/dagmc/universes/test.py
index 6726b4b44..f6964857d 100644
--- a/tests/regression_tests/dagmc/universes/test.py
+++ b/tests/regression_tests/dagmc/universes/test.py
@@ -51,6 +51,20 @@ class DAGMCUniverseTest(PyAPITestHarness):
         assert bounding_box[0].tolist() == [-25., -25., -25.]
         assert bounding_box[1].tolist() == [25., 25., 25.]
 
+        # checks that the bounding region is six surfaces each with a vacuum boundary type
+        b_region = pincell_univ.bounding_region(bounded_type='box', boundary_type='vacuum')
+        assert isinstance(b_region, openmc.Region)
+        assert len(b_region.get_surfaces()) == 6
+        for surface in list(b_region.get_surfaces().values()):
+            assert surface.boundary_type == 'vacuum'
+
+        # checks that the bounding region is a single surface with a reflective boundary type
+        b_region = pincell_univ.bounding_region(bounded_type='sphere', boundary_type='reflective')
+        assert isinstance(b_region, openmc.Region)
+        assert len(b_region.get_surfaces()) == 1
+        for surface in list(b_region.get_surfaces().values()):
+            assert surface.boundary_type == 'reflective'
+
         # create a 2 x 2 lattice using the DAGMC pincell
         pitch = np.asarray((24.0, 24.0))
         lattice = openmc.RectLattice()

From eff690fd90032abd0d4a5e68f5babcc38c476de1 Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erik.knudsen@copenhagenatomics.com>
Date: Wed, 13 Jul 2022 20:55:53 +0200
Subject: [PATCH 0571/2654] fail without tripping the entire test-process

---
 tests/regression_tests/source_mcpl_file/test.py | 8 ++------
 1 file changed, 2 insertions(+), 6 deletions(-)

diff --git a/tests/regression_tests/source_mcpl_file/test.py b/tests/regression_tests/source_mcpl_file/test.py
index 922ddddd3..f55a76904 100644
--- a/tests/regression_tests/source_mcpl_file/test.py
+++ b/tests/regression_tests/source_mcpl_file/test.py
@@ -1,11 +1,6 @@
-import pathlib as pl
 import os
-import shutil
 import subprocess
-import textwrap
 import glob
-import openmc
-import pytest
 
 from tests.testing_harness import TestHarness
 
@@ -25,7 +20,8 @@ class SourceMCPLFileTestHarness(TestHarness):
       self._cleanup()
 
   def _create_input(self):
-    subprocess.run(['gcc','-o','gen_dummy_mcpl.out','gen_dummy_mcpl.c','-lm','-lmcpl'])
+    compiled=subprocess.run(['gcc','-o','gen_dummy_mcpl.out','gen_dummy_mcpl.c','-lm','-lmcpl'])
+    assert compiled==0, 'Could not compile mcpl-file generator code'
     subprocess.run(['./gen_dummy_mcpl.out'])
 
   def update_results(self):

From 5d5a2d6fa5fa3c3f6f0fada60115f1e3e7add984 Mon Sep 17 00:00:00 2001
From: Olek <45364492+yardasol@users.noreply.github.com>
Date: Wed, 13 Jul 2022 15:55:15 -0500
Subject: [PATCH 0572/2654] _orig_dir -> orig_dir

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/deplete/abc.py | 5 +++--
 1 file changed, 3 insertions(+), 2 deletions(-)

diff --git a/openmc/deplete/abc.py b/openmc/deplete/abc.py
index a7cde4afa..8bbe126df 100644
--- a/openmc/deplete/abc.py
+++ b/openmc/deplete/abc.py
@@ -67,13 +67,14 @@ def change_directory(output_dir):
     output_dir : pathlib.Path
         Directory to switch to.
     """
-    _orig_dir  = os.getcwd()
+    orig_dir  = os.getcwd()
     try:
         output_dir.mkdir(exist_ok=True)
         os.chdir(output_dir)
         yield
     finally:
-        os.chdir(_orig_dir)
+        os.chdir(orig_dir)
+
 
 class TransportOperator(ABC):
     """Abstract class defining a transport operator

From 8f1db414589f11bbc0511c1ba81064a33d638cf9 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Wed, 13 Jul 2022 15:55:48 -0500
Subject: [PATCH 0573/2654] overhaul FluxTimexXSHelper class

---
 openmc/deplete/helpers.py | 42 +++++++++++++++++++++++++--------------
 1 file changed, 27 insertions(+), 15 deletions(-)

diff --git a/openmc/deplete/helpers.py b/openmc/deplete/helpers.py
index 5adb43998..67a88fa16 100644
--- a/openmc/deplete/helpers.py
+++ b/openmc/deplete/helpers.py
@@ -25,7 +25,7 @@ __all__ = (
     "DirectReactionRateHelper", "ChainFissionHelper", "EnergyScoreHelper"
     "SourceRateHelper", "TalliedFissionYieldHelper",
     "ConstantFissionYieldHelper", "FissionYieldCutoffHelper",
-    "AveragedFissionYieldHelper", "FluxCollapseHelper")
+    "AveragedFissionYieldHelper", "FluxCollapseHelper", "FluxTimesXSHelper")
 
 class TalliedFissionYieldHelper(FissionYieldHelper):
     """Abstract class for computing fission yields with tallies
@@ -125,16 +125,21 @@ class TalliedFissionYieldHelper(FissionYieldHelper):
 # -------------------------------------
 
 
-class FluxReactionRateHelper(ReactionRateHelper):
+class FluxTimesXSHelper(ReactionRateHelper):
     """Class for generating one-group reaction rates with flux and
     one-group cross sections.
 
     This class does not generate tallies, and instead stores cross sections
-    for each nuclides and transmutation reaction relevant for a depletion
-    calculation.
+    for each nuclide and transmutation reaction relevant for a depletion
+    calculation. The reaction rate is calculated by multiplying the flux by the
+    cross sections.
 
     Parameters
     ----------
+    flux : float
+        Neutron flux
+    micro_xs : pandas.DataFrame
+        Microscopic cross-section data
     n_nucs : int
         Number of burnable nuclides tracked by :class:`openmc.deplete.Operator`
     n_react : int
@@ -142,16 +147,22 @@ class FluxReactionRateHelper(ReactionRateHelper):
 
     Attributes
     ----------
-    flux :
-
-    xs :
-
+    nuc_ind_map : dict of int to str
+        Dictionary mapping the nuclide index to nuclide name
+    rxn_ind_map : dict of int to str
+        Dictionary mapping reaction index to reaction name
+    number : AtomNumber
+        AtomNumber object. Needed to convert the microscopic cross-sections
+        to macroscopic cross sections.
 
     """
-    def __init__(self, n_nuc, n_react):
+    def __init__(self, flux, micro_xs, n_nuc, n_react):
         super().__init__(n_nuc, n_react)
-        self._flux = None
-        self._micro_xs = None
+        self._flux = flux
+        self._micro_xs = micro_xs
+        self.nuc_ind_map = None
+        self.rxn_ind_map = None
+        self.number = None
 
     def generate_tallies(self, materials, scores):
         """Unused in this case"""
@@ -191,10 +202,11 @@ class FluxReactionRateHelper(ReactionRateHelper):
             Ordering of reactions
         """
         self._results_cache.fill(0.0)
-        full_tally_res = self._rate_tally.mean[mat_id]
-        for i_tally, (i_nuc, i_react) in enumerate(
-                product(nuc_index, react_index)):
-            self._results_cache[i_nuc, i_react] = full_tally_res[i_tally]
+        for i, (i_nuc, i_react) in enumerate(product(nuc_index, react_index)):
+            nuc = self.nuc_ind_map[i_nuc]
+            rxn = self.rxn_ind_map[i_react]
+            density = self.number.get_atom_density(mat_id, nuc)
+            self._results_cache[i_nuc, i_react] = self._micro_xs[rxn][nuc] * density
 
         return self._results_cache
 

From a1aa66c1fda8b103d1c8cb094911fc0d913e1c6b Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Wed, 13 Jul 2022 15:56:29 -0500
Subject: [PATCH 0574/2654] make FluxDepletionOperator work with multiple
 materials; update regression test

---
 openmc/deplete/flux_operator.py               | 330 +++++++++++++-----
 .../deplete_no_transport/test_reference.h5    | Bin 35688 -> 35688 bytes
 2 files changed, 243 insertions(+), 87 deletions(-)

diff --git a/openmc/deplete/flux_operator.py b/openmc/deplete/flux_operator.py
index 562967e6c..5e23ec203 100644
--- a/openmc/deplete/flux_operator.py
+++ b/openmc/deplete/flux_operator.py
@@ -5,25 +5,44 @@ and one-group cross sections.
 
 """
 
-
+import copy
+from collections import OrderedDict
 from warnings import warn
 
 import numpy as np
 import pandas as pd
 from uncertainties import ufloat
 
+import openmc
 from openmc.checkvalue import check_type, check_value, check_iterable_type
 from openmc.mpi import comm
 from .abc import TransportOperator, OperatorResult
 from .atom_number import AtomNumber
 from .chain import REACTIONS
 from .reaction_rates import ReactionRates
-from .helpers import ConstantFissionYieldHelper
+from .helpers import ConstantFissionYieldHelper, SourceRateHelper, FluxTimesXSHelper
 
 valid_rxns = list(REACTIONS)
 valid_rxns.append('fission')
 
-
+def _distribute(items):
+    """Distribute items across MPI communicator
+    Parameters
+    ----------
+    items : list
+        List of items of distribute
+    Returns
+    -------
+    list
+        Items assigned to process that called
+    """
+    min_size, extra = divmod(len(items), comm.size)
+    j = 0
+    for i in range(comm.size):
+        chunk_size = min_size + int(i < extra)
+        if comm.rank == i:
+            return items[j:j + chunk_size]
+        j += chunk_size
 
 class FluxDepletionOperator(TransportOperator):
     """Depletion operator that uses a user-provided flux spectrum and one-group
@@ -98,57 +117,76 @@ class FluxDepletionOperator(TransportOperator):
                  reduce_chain=False,
                  reduce_chain_level=None,
                  fission_yield_opts=None):
-        super().__init__(chain_file, fission_q, 0.0, prev_results)
-        self.round_number = False
-        self.flux_spectra = flux_spectra
-        self._init_nuclides = nuclides
-        self._volume = volume
-
-        # Reduce the chain to only those nuclides present
-        if reduce_chain:
-            init_nuc_names = set(nuclides.keys())
-            self.chain = self.chain.reduce(init_nuc_names, reduce_chain_level)
-
         # Validate nuclides and micro-xs parameters
         check_type('nuclides', nuclides, dict, str)
         check_type('micro_xs', micro_xs, pd.DataFrame)
 
-        self._micro_xs = micro_xs
+        self.cross_sections = micro_xs
         if keff is not None:
             check_type('keff', keff, tuple, float)
             keff = ufloat(keff)
 
         self._keff = keff
+        self.flux_spectra = flux_spectra
+        materials = self._consolidate_nuclides_to_material(nuclides, volume)
 
-        self._all_nuclides = self._get_all_nuclides_in_simulation()
+        diff_burnable_mats=False
+        # super().__init__(materials, diff_burnable_mats, chain_file, fission_q, dilute_initial, prev_results, helper_class_kwargs)
 
-        # TODO: add support for loading previous results
+
+        ## this part goes to OpenMCOperator
+        super().__init__(chain_file, fission_q, 0.0, prev_results)
+        self.round_number = False
+        self.materials = materials
+
+        # Reduce the chain to only those nuclides present
+        if reduce_chain:
+            init_nuclides = set()
+            for material in self.materials:
+                if not material.depletable:
+                    continue
+                for name, _dens_percent, _dens_type in material.nuclides:
+                    init_nuclides.add(name)
+
+            self.chain = self.chain.reduce(init_nuclides, reduce_chain_level)
+
+        if diff_burnable_mats:
+            ## to implement
+            self._differentiate_burnable_mats()
 
         # Determine which nuclides have cross section data
         # This nuclides variables contains every nuclides
         # for which there is an entry in the micro_xs parameter
-        self.nuclides_with_data = self._get_nuclides_with_data()
+        openmc.reset_auto_ids()
+        self.burnable_mats, volumes, all_nuclides = self._get_burnable_mats()
+        self._all_nuclides = all_nuclides
+        self.local_mats = _distribute(self.burnable_mats)
+
+        self._mat_index_map = {
+            lm: self.burnable_mats.index(lm) for lm in self.local_mats}
+
+        if self.prev_res is not None:
+            ## will be an abstract function for OpenMCOperator
+            self._load_previous_results()
+
+
+        self.nuclides_with_data = self._get_nuclides_with_data(self.cross_sections)
 
         # Select nuclides with data that are also in the chain
         self._burnable_nucs = [nuc.name for nuc in self.chain.nuclides
                                if nuc.name in self.nuclides_with_data]
 
         # Extract number densities from the geometry / previous depletion run
-        self._extract_number(['0'],
-                             {'0': volume},
-                             self._all_nuclides,
+        self._extract_number(self.local_mats,
+                             volumes,
+                             all_nuclides,
                              self.prev_res)
 
         # Create reaction rates array
         self.reaction_rates = ReactionRates(
-            ['0'], self._burnable_nucs, self.chain.reactions)
+            self.local_mats, self._burnable_nucs, self.chain.reactions)
 
-        # Select and create fission yield helper
-        fission_helper = ConstantFissionYieldHelper
-        fission_yield_opts = (
-            {} if fission_yield_opts is None else fission_yield_opts)
-        self._yield_helper = fission_helper.from_operator(
-            self, **fission_yield_opts)
+        self._get_helper_classes(None, fission_yield_opts)
 
     def __call__(self, vec, source_rate):
         """Obtain the reaction rates
@@ -173,14 +211,31 @@ class FluxDepletionOperator(TransportOperator):
 
         # Get all nuclides for which we will calculate reaction rates
         rxn_nuclides = self._get_reaction_nuclides()
+        self._rate_helper.nuclides = rxn_nuclides
+        self._normalization_helper.nuclides = rxn_nuclides
+        self._yield_helper.update_tally_nuclides(rxn_nuclides)
+
+        # Use the flux spectra as a "source rate"
+        rates = self._calculate_reaction_rates(self.flux_spectra)
+        keff = self._keff
+
+        op_result = OperatorResult(keff, rates)
+        return copy.deepcopy(op_result)
+
+    def _calculate_reaction_rates(self, source_rate):
 
         rates = self.reaction_rates
         rates.fill(0.0)
 
+        rxn_nuclides = self._rate_helper.nuclides
+
         # Form fast map
         nuc_ind = [rates.index_nuc[nuc] for nuc in rxn_nuclides]
         react_ind = [rates.index_rx[react] for react in self.chain.reactions]
 
+        self._normalization_helper.reset()
+        self._yield_helper.unpack()
+
         # Store fission yield dictionaries
         fission_yields = []
 
@@ -190,45 +245,55 @@ class FluxDepletionOperator(TransportOperator):
 
         fission_ind = rates.index_rx.get("fission")
 
-        # Zero out reaction rates and nuclide numbers
-        number.fill(0.0)
+        for i, mat in enumerate(self.local_mats):
+            mat_index = self._mat_index_map[mat]
 
-        # Get new number densities
-        for nuc, i_nuc_results in zip(rxn_nuclides, nuc_ind):
-            number[i_nuc_results] = self.number[0, nuc]
+            # Zero out reaction rates and nuclide numbers
+            number.fill(0.0)
 
-        # Calculate macroscopic cross sections and store them in rates array
-        for nuc in rxn_nuclides:
-            density = self.number.get_atom_density('0', nuc)
-            for rxn in self.chain.reactions:
-                rates.set(
-                    '0',
-                    nuc,
-                    rxn,
-                    self._micro_xs[rxn, rxn] * density)
+            # Get new number densities
+            for nuc, i_nuc_results in zip(rxn_nuclides, nuc_ind):
+                number[i_nuc_results] = self.number[mat, nuc]
 
+            # Calculate macroscopic cross sections and store them in rates array
+            rxn_rates = self._rate_helper.get_material_rates(
+                mat_index, nuc_ind, react_ind)
+
+            ## replace
+            #for nuc in rxn_nuclides:
+            #    density = self.number.get_atom_density(i, nuc)
+            #    for rxn in self.chain.reactions:
+            #        rates.set(
+            #            i,
+            #            nuc,
+            #            rxn,
+            #            self.cross_sections[rxn, nuc] * density)
+
+                    # Compute fission yields for this material
+            fission_yields.append(self._yield_helper.weighted_yields(i))
+
+            # Accumulate energy from fission
+            if fission_ind is not None:
+                self._normalization_helper.update(rxn_rates[:, fission_ind])
+
+            # Divide by total number of atoms and store
+            # the reason we do this is based on the mathematical equation;
+            # in the equation, we multiply the depletion matrix by the nuclide
+            # vector. Since what we want is the depletion matrix, we need to
+            # divide the reaction rates by the number of atoms to get the right
+            # units.
+            rates[i] = self._rate_helper.divide_by_adens(number)
+
+        rates *= self._normalization_helper.factor(source_rate)
+        ##replace
         # Get reaction rate in reactions/sec
-        rates *= self.flux_spectra
+        #rates *= self.flux_spectra
 
-        # Compute fission yields for this material
-        fission_yields.append(self._yield_helper.weighted_yields(0))
-
-        # Divide by total number of atoms and store
-        # the reason we do this is based on the mathematical equation;
-        # in the equation, we multiply the depletion matrix by the nuclide
-        # vector. Since what we want is the depletion matrix, we need to
-        # divide the reaction rates by the number of atoms to get the right
-        # units.
-        mask = np.nonzero(number)
-        results = rates[0]
-        for col in range(results.shape[1]):
-            results[mask, col] /= number[mask]
-        rates[0] = results
 
         # Store new fission yields on the chain
         self.chain.fission_yields = fission_yields
 
-        return OperatorResult(self._keff, rates)
+        return rates
 
     def initial_condition(self):
         """Performs final setup and returns initial condition.
@@ -272,9 +337,11 @@ class FluxDepletionOperator(TransportOperator):
             All burnable materials in the geometry.
         """
         nuc_list = self.number.burnable_nuclides
-        burn_list = ['0']
+        burn_list = self.local_mats
 
-        volume = {'0': self._volume}
+        volume = {}
+        for i, mat in enumerate(burn_list):
+            volume[mat] = self.number.volume[i]
 
         # Combine volume dictionaries across processes
         volume_list = comm.allgather(volume)
@@ -404,6 +471,54 @@ class FluxDepletionOperator(TransportOperator):
                 # TODO Update densities on the Python side, otherwise the
                 # summary.h5 file contains densities at the first time step
 
+    def _consolidate_nuclides_to_material(self, nuclides, volume):
+        """Puts nuclide list into an openmc.Materials object.
+
+        """
+        openmc.reset_auto_ids()
+        mat = openmc.Material()
+        for nuc, conc in nuclides.items():
+            mat.add_nuclide(nuc, conc / 1e24) #convert to at/b-cm
+
+        mat.volume = volume
+        mat.depleteable = True
+
+        return openmc.Materials([mat])
+
+    def _get_helper_classes(self, reaction_rate_opts, fission_yield_opts):
+        """Get helper classes for calculating reation rates and fission yields"""
+        rates = self.reaction_rates
+        # Get classes to assit working with tallies
+        nuc_ind_map = {ind: nuc for nuc, ind in rates.index_nuc.items()}
+        rxn_ind_map = {ind: rxn for rxn, ind in rates.index_rx.items()}
+
+
+        self._rate_helper = FluxTimesXSHelper(self.flux_spectra, self.cross_sections, self.reaction_rates.n_nuc, self.reaction_rates.n_react)
+
+        self._rate_helper.nuc_ind_map = nuc_ind_map
+        self._rate_helper.rxn_ind_map = rxn_ind_map
+        # We'll need to find a way to update number as time goes on.
+        # perhaps in this classes version of _update_materials()?
+        self._rate_helper.number = self.number
+
+        self._normalization_helper = SourceRateHelper()
+
+        # Select and create fission yield helper
+        fission_helper = ConstantFissionYieldHelper
+        fission_yield_opts = (
+            {} if fission_yield_opts is None else fission_yield_opts)
+        self._yield_helper = fission_helper.from_operator(
+            self, **fission_yield_opts)
+
+
+    def _load_previous_results():
+        """Load in results from a previous depletion calculation."""
+        pass
+
+    def _differentiate_burnable_materials():
+        """Assign distribmats for each burnable material"""
+        pass
+
     def _get_reaction_nuclides(self):
         """Determine nuclides that should have reaction rates
 
@@ -421,10 +536,12 @@ class FluxDepletionOperator(TransportOperator):
         """
         # Create the set of all nuclides in the decay chain in materials marked
         # for burning in which the number density is greater than zero.
-        nuc_set = set(self._all_nuclides).intersection(self.nuclides_with_data)
-        for nuc in nuc_set:
-            if not np.sum(self.number[:, nuc]) > 0.0:
-                nuc_set.remove(nuc)
+        nuc_set = set()
+
+        for nuc in self.number.nuclides:
+            if nuc in self.nuclides_with_data:
+                if np.sum(self.number[:,nuc]) > 0.0:
+                    nuc_set.add(nuc)
 
         # Communicate which nuclides have nonzeros to rank 0
         if comm.rank == 0:
@@ -445,31 +562,57 @@ class FluxDepletionOperator(TransportOperator):
         nuc_list = comm.bcast(nuc_list)
         return [nuc for nuc in nuc_list if nuc in self.chain]
 
-    def _get_all_nuclides_in_simulation(self):
-        """Determine nuclides that will show up in the depletion matrix.
-        This is the union of the nuclides provided by the user and
-        the nuclides present in the depletion chain.
-
+    def _get_burnable_mats(self):
+        """Determine depletable materials, volumes, and nuclides
         Returns
         -------
-        all_nuclides : list of str
+        burnable_mats : list of str
+            List of burnable material IDs
+        volume : OrderedDict of str to float
+            Volume of each material in [cm^3]
+        nuclides : list of str
             Nuclides in order of how they'll appear in the simulation.
-
         """
 
-        init_nuclides = sorted(self._init_nuclides.keys())
+        burnable_mats = set()
+        model_nuclides = set()
+        volume = OrderedDict()
+
+        self.heavy_metal = 0.0
+
+        # Iterate once through the geometry to get dictionaries
+        for mat in self.materials:
+            for nuclide in mat.get_nuclides():
+                model_nuclides.add(nuclide)
+            if mat.depletable:
+                burnable_mats.add(str(mat.id))
+                if mat.volume is None:
+                    raise RuntimeError("Volume not specified for depletable "
+                                       "material with ID={}.".format(mat.id))
+                volume[str(mat.id)] = mat.volume
+                self.heavy_metal += mat.fissionable_mass
+
+        # Make sure there are burnable materials
+        if not burnable_mats:
+            raise RuntimeError(
+                "No depletable materials were found in the model.")
+
+        # Sort the sets
+        burnable_mats = sorted(burnable_mats, key=int)
+        model_nuclides = sorted(model_nuclides)
 
         # Construct a global nuclide dictionary, burned first
-        all_nuclides = list(self.chain.nuclide_dict)
-        for nuc in init_nuclides:
-            if nuc not in all_nuclides:
-                all_nuclides.append(nuc)
+        nuclides = list(self.chain.nuclide_dict)
+        for nuc in model_nuclides:
+            if nuc not in nuclides:
+                nuclides.append(nuc)
 
-        return all_nuclides
+        return burnable_mats, volume, nuclides
 
-    def _get_nuclides_with_data(self):
-        """Finds nuclides with cross section data"""
-        return set(self._micro_xs.index)
+    def _get_nuclides_with_data(self, cross_sections):
+        """Finds nuclides with cross section data
+        """
+        return set(cross_sections.index)
 
 
     def _extract_number(self, local_mats, volume, nuclides, prev_res=None):
@@ -489,17 +632,30 @@ class FluxDepletionOperator(TransportOperator):
         """
         self.number = AtomNumber(local_mats, nuclides, volume, len(self.chain))
 
+        if self.dilute_initial != 0.0:
+            for nuc in self._burnable_nucs:
+                self.number.set_atom_density(np.s_[:], nuc, self.dilute_initial)
+
         # Now extract and store the number densities
         # From the geometry if no previous depletion results
         if prev_res is None:
-            for nuclide in nuclides:
-                if nuclide in self._init_nuclides:
-                    self.number.set_atom_density(
-                        '0', nuclide, self._init_nuclides[nuclide])
-                elif nuclide not in self._burnable_nucs:
-                    self.number.set_atom_density('0', nuclide, 0)
-
+            for mat in self.materials:
+                if str(mat.id) in local_mats:
+                    self._set_number_from_mat(mat)
         # Else from previous depletion results
         else:
             raise RuntimeError(
                 "Loading from previous results not yet supported")
+
+    def _set_number_from_mat(self, mat):
+        """Extracts material and number densities from openmc.Material
+        Parameters
+        ----------
+        mat : openmc.Material
+            The material to read from
+        """
+        mat_id = str(mat.id)
+
+        for nuclide, atom_per_bcm in mat.get_nuclide_atom_densities().items():
+            atom_per_cc = atom_per_bcm * 1.0e24
+            self.number.set_atom_density(mat_id, nuclide, atom_per_cc)
diff --git a/tests/regression_tests/deplete_no_transport/test_reference.h5 b/tests/regression_tests/deplete_no_transport/test_reference.h5
index e4fbf5029d56bd9169e688fb477bc7e6c0688d9e..55675f9d082cd29b63a028131888b31f384f5418 100644
GIT binary patch
delta 77
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j7(O39_LDJ-8<V7p7z2!_xRbw%Q2{rT5sOm<jHkFi9hD)X

delta 77
zcmV-T0J8t+mICOO0<c&H0Wh;!1`mWGIKF8~a^ev_`ul|i`1e;nL|!EK(X@L$V(=~H
j7(O39^^-A+8<V7p7y~Q=wUfV!Q2{uU5sOm<ECaPa2qqtt


From 35ddf8b23c85e969b41e47caba65fa91099626a2 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Wed, 13 Jul 2022 17:17:26 -0500
Subject: [PATCH 0575/2654] move reusable code to new parent class; 2nd pass;
 some minor docstring edits

---
 openmc/deplete/openmc_operator.py | 167 +++++++++++++----------------
 openmc/deplete/operator.py        | 168 +++++++++++++-----------------
 2 files changed, 143 insertions(+), 192 deletions(-)

diff --git a/openmc/deplete/openmc_operator.py b/openmc/deplete/openmc_operator.py
index 303a5208f..a2296d88a 100644
--- a/openmc/deplete/openmc_operator.py
+++ b/openmc/deplete/openmc_operator.py
@@ -1,9 +1,6 @@
 """OpenMC transport operator
 
-This module implements a transport operator for OpenMC so that it can be used by
-depletion integrators. The implementation makes use of the Python bindings to
-OpenMC's C API so that reading tally results and updating material number
-densities is all done in-memory instead of through the filesystem.
+This module implements functions used by both OpenMC transport operators as well as pure depletion operators.
 
 """
 
@@ -11,9 +8,9 @@ import copy
 from abc import abstractmethod
 from collections import OrderedDict
 import os
-from warnings import warn
 
 import numpy as np
+from uncertainties import ufloat
 
 import openmc
 from openmc.exceptions import DataError
@@ -22,10 +19,6 @@ from .abc import TransportOperator, OperatorResult
 from .atom_number import AtomNumber
 from .reaction_rates import ReactionRates
 from .results import Results
-from .helpers import (
-    DirectReactionRateHelper, ChainFissionHelper, ConstantFissionYieldHelper,
-    FissionYieldCutoffHelper, AveragedFissionYieldHelper, EnergyScoreHelper,
-    SourceRateHelper, FluxCollapseHelper)
 
 
 __all__ = ["OpenMCOperator", "OperatorResult"]
@@ -124,45 +117,61 @@ class OpenMCOperator(TransportOperator):
         depletion operation is complete. Defaults to clearing the library.
     """
 
-    ## modify
-    def __init__(self, chain_file=None, fission_q=None, dilute_initial=0.0, prev_results=None):
+    def __init__(self, materials=None, cross_sections=None, chain_file=None, prev_results=None, diff_burnable_mats=False, normalization_mode=None, fission_q=None, dilute_initial=0.0, fission_yield_mode=None, fission_yield_opts=None,
+                 reaction_rate_mode=None, reaction_rate_opts=None,
+                 reduce_chain=False, reduce_chain_level=None):
 
         super().__init__(chain_file, fission_q, dilute_initial, prev_results)
+        self.round_number=False
+        self.materials = materials
+        self.cross_sections = cross_sections
 
-    ## clear, but we must keep the method
-    def __call__(self, vec, source_rate):
-        """Runs a simulation.
+        # Reduce the chain to only those nuclides present
+        if reduce_chain:
+            init_nuclides = set()
+            for material in self.materials:
+                if not material.depletable:
+                    continue
+                for name, _dens_percent, _dens_type in material.nuclides:
+                    init_nuclides.add(name)
 
-        Simulation will abort under the following circumstances:
+            self.chain = self.chain.reduce(init_nuclides, reduce_chain_level)
 
-            1) No energy is computed using OpenMC tallies.
+        if diff_burnable_mats:
+            self._differentiate_burnable_mats()
 
-        Parameters
-        ----------
-        vec : list of numpy.ndarray
-            Total atoms to be used in function.
-        source_rate : float
-            Power in [W] or source rate in [neutron/sec]
+        # Determine which nuclides have cross section data
+        # This nuclides variables contains every nuclides
+        # for which there is an entry in the micro_xs parameter
+        openmc.reset_auto_ids()
+        self.burnable_mats, volumes, all_nuclides = self._get_burnable_mats()
+        self.local_mats = _distribute(self.burnable_mats)
 
-        Returns
-        -------
-        openmc.deplete.OperatorResult
-            Eigenvalue and reaction rates resulting from transport operator
+        self._mat_index_map = {
+            lm: self.burnable_mats.index(lm) for lm in self.local_mats}
 
-        """
+        if self.prev_res is not None:
+            self._load_previous_results()
 
-    ## clear, but must keep the method
-    def write_bos_data(step):
-        """Write a state-point file with beginning of step data
 
-        Parameters
-        ----------
-        step : int
-            Current depletion step including restarts
-        """
-        pass
+        self.nuclides_with_data = self._get_nuclides_with_data(self.cross_sections)
+
+        # Select nuclides with data that are also in the chain
+        self._burnable_nucs = [nuc.name for nuc in self.chain.nuclides
+                               if nuc.name in self.nuclides_with_data]
+
+        # Extract number densities from the geometry / previous depletion run
+        self._extract_number(self.local_mats,
+                             volumes,
+                             all_nuclides,
+                             self.prev_res)
+
+        # Create reaction rates array
+        self.reaction_rates = ReactionRates(
+            self.local_mats, self._burnable_nucs, self.chain.reactions)
+
+        self._get_helper_classes(reaction_rate_mode, reaction_rate_opts, normalization_mode, fission_yield_mode, fission_yield_opts)
 
-    ## keep
     def _get_burnable_mats(self):
         """Determine depletable materials, volumes, and nuclides
 
@@ -212,8 +221,7 @@ class OpenMCOperator(TransportOperator):
 
         return burnable_mats, volume, nuclides
 
-    ## keep
-    def _extract_number(self, local_mats, volume, nuclides, prev_res=None):
+    def _extract_number(self, local_mats, volume, all_nuclides, prev_res=None):
         """Construct AtomNumber using geometry
 
         Parameters
@@ -222,13 +230,13 @@ class OpenMCOperator(TransportOperator):
             Material IDs to be managed by this process
         volume : OrderedDict of str to float
             Volumes for the above materials in [cm^3]
-        nuclides : list of str
+        all_nuclides : list of str
             Nuclides to be used in the simulation.
         prev_res : Results, optional
             Results from a previous depletion calculation
 
         """
-        self.number = AtomNumber(local_mats, nuclides, volume, len(self.chain))
+        self.number = AtomNumber(local_mats, all_nuclides, volume, len(self.chain))
 
         if self.dilute_initial != 0.0:
             for nuc in self._burnable_nucs:
@@ -296,7 +304,6 @@ class OpenMCOperator(TransportOperator):
 
             self.number.set_atom_density(mat_id, nuclide, atom_per_cc)
 
-    ## keep, will need to modify
     def initial_condition(self, materials):
         """Performs final setup and returns initial condition.
 
@@ -321,50 +328,11 @@ class OpenMCOperator(TransportOperator):
         # Return number density vector
         return list(self.number.get_mat_slice(np.s_[:]))
 
-    ## keep? there is a non-removable part of this
-    ## that needs the openmc c executable
+    @abstractmethod
     def _update_materials(self):
         """Updates material compositions in OpenMC on all processes."""
 
-        for rank in range(comm.size):
-            number_i = comm.bcast(self.number, root=rank)
-
-            for mat in number_i.materials:
-                nuclides = []
-                densities = []
-                for nuc in number_i.nuclides:
-                    if nuc in self.nuclides_with_data:
-                        val = 1.0e-24 * number_i.get_atom_density(mat, nuc)
-
-                        # If nuclide is zero, do not add to the problem.
-                        if val > 0.0:
-                            if self.round_number:
-                                val_magnitude = np.floor(np.log10(val))
-                                val_scaled = val / 10**val_magnitude
-                                val_round = round(val_scaled, 8)
-
-                                val = val_round * 10**val_magnitude
-
-                            nuclides.append(nuc)
-                            densities.append(val)
-                        else:
-                            # Only output warnings if values are significantly
-                            # negative. CRAM does not guarantee positive values.
-                            if val < -1.0e-21:
-                                print("WARNING: nuclide ", nuc, " in material ", mat,
-                                      " is negative (density = ", val, " at/barn-cm)")
-                            number_i[mat, nuc] = 0.0
-
-                # Update densities on C API side
-                mat_internal = openmc.lib.materials[int(mat)]
-                mat_internal.set_densities(nuclides, densities)
-
-                #TODO Update densities on the Python side, otherwise the
-                # summary.h5 file contains densities at the first time step
-
-    ## keep, but rename and modify docstring
-    ## get_tally_nuclides
-    def _get_tally_nuclides(self):
+    def _get_reaction_nuclides(self):
         """Determine nuclides that should be tallied for reaction rates.
 
         This method returns a list of all nuclides that have neutron data and
@@ -407,12 +375,6 @@ class OpenMCOperator(TransportOperator):
         nuc_list = comm.bcast(nuc_list)
         return [nuc for nuc in nuc_list if nuc in self.chain]
 
-    ## modify
-    ## the tally-specific methods
-    ## for the normalization and fission helper classes
-    ## will already work with the current implementation.
-    ## For transport-less depletion, we'll need to write
-    ## a new ReactionRateHelper
     def _calculate_reaction_rates(self, source_rate):
         """Unpack tallies from OpenMC and return an operator result
 
@@ -434,11 +396,11 @@ class OpenMCOperator(TransportOperator):
         rates = self.reaction_rates
         rates.fill(0.0)
 
-        # Extract tally bins
-        nuclides = self._rate_helper.nuclides
+        # Extract reaction nuclides
+        rxn_nuclides = self._rate_helper.nuclides
 
         # Form fast map
-        nuc_ind = [rates.index_nuc[nuc] for nuc in nuclides]
+        nuc_ind = [rates.index_nuc[nuc] for nuc in rxn_nuclides]
         react_ind = [rates.index_rx[react] for react in self.chain.reactions]
 
         # Keep track of energy produced from all reactions in eV per source
@@ -464,7 +426,7 @@ class OpenMCOperator(TransportOperator):
             number.fill(0.0)
 
             # Get new number densities
-            for nuc, i_nuc_results in zip(nuclides, nuc_ind):
+            for nuc, i_nuc_results in zip(rxn_nuclides, nuc_ind):
                 number[i_nuc_results] = self.number[mat, nuc]
 
             tally_rates = self._rate_helper.get_material_rates(
@@ -488,11 +450,26 @@ class OpenMCOperator(TransportOperator):
 
         return rates
 
+
     @abstractmethod
-    def _get_nuclides_with_data(self):
+    def _get_helper_classes(self, reaction_rate_mode, reaction_rate_opts, normalization_mode, fission_yield_mode, fission_yield_opts):
+        """Create the ``_rate_helper``, ``normalization_helper``, and
+        ``_yield_helper`` attributes"""
+
+    @abstractmethod
+    def _load_previous_results(self):
+        """Load reuslts from a previous depletion simulation"""
+
+    @abstractmethod
+    def _get_nuclides_with_data(self, cross_sections):
         """Find nuclides with cross section data"""
 
-    ## Keep
+    @abstractmethod
+    def _differentiate_burnable_mats(self):
+        """Assign distribmats for each burnable material
+
+        """
+
     def get_results_info(self):
         """Returns volume list, material lists, and nuc lists.
 
diff --git a/openmc/deplete/operator.py b/openmc/deplete/operator.py
index 665de1999..2770494ba 100644
--- a/openmc/deplete/operator.py
+++ b/openmc/deplete/operator.py
@@ -210,8 +210,6 @@ class Operator(OpenMCOperator):
             if fission_q is not None:
                 warn("Fission Q dictionary will not be used")
                 fission_q = None
-        super().__init__(chain_file, fission_q, dilute_initial, prev_results)
-        self.round_number = False
         self.model = model
         self.settings = model.settings
         self.geometry = model.geometry
@@ -221,103 +219,15 @@ class Operator(OpenMCOperator):
             model.materials = openmc.Materials(
                 model.geometry.get_all_materials().values()
             )
-        self.materials = model.materials
 
         self.cleanup_when_done = True
 
-        # Reduce the chain before we create more materials
-        if reduce_chain:
-            all_isotopes = set()
-            for material in self.materials:
-                if not material.depletable:
-                    continue
-                for name, _dens_percent, _dens_type in material.nuclides:
-                    all_isotopes.add(name)
-            self.chain = self.chain.reduce(all_isotopes, reduce_chain_level)
-
-        # Differentiate burnable materials with multiple instances
-        if diff_burnable_mats:
-            self._differentiate_burnable_mats()
-            self.materials = openmc.Materials(
-                model.geometry.get_all_materials().values()
-            )
-
-        # Clear out OpenMC, create task lists, distribute
-        openmc.reset_auto_ids()
-        self.burnable_mats, volume, nuclides = super()._get_burnable_mats()
-        self.local_mats = _distribute(self.burnable_mats)
-
-        # Generate map from local materials => material index
-        self._mat_index_map = {
-            lm: self.burnable_mats.index(lm) for lm in self.local_mats}
-
-        if self.prev_res is not None:
-            # Reload volumes into geometry
-            prev_results[-1].transfer_volumes(self.model)
-
-            # Store previous results in operator
-            # Distribute reaction rates according to those tracked
-            # on this process
-            if comm.size == 1:
-                self.prev_res = prev_results
-            else:
-                self.prev_res = Results()
-                mat_indexes = _distribute(range(len(self.burnable_mats)))
-                for res_obj in prev_results:
-                    new_res = res_obj.distribute(self.local_mats, mat_indexes)
-                    self.prev_res.append(new_res)
-
-        # Determine which nuclides have incident neutron data
-        self.nuclides_with_data = self._get_nuclides_with_data(cross_sections)
-
-        # Select nuclides with data that are also in the chain
-        self._burnable_nucs = [nuc.name for nuc in self.chain.nuclides
-                               if nuc.name in self.nuclides_with_data]
-
-        # Extract number densities from the geometry / previous depletion run
-        super()._extract_number(self.local_mats, volume, nuclides, self.prev_res)
-
-        # Create reaction rates array
-        self.reaction_rates = ReactionRates(
-            self.local_mats, self._burnable_nucs, self.chain.reactions)
-
-        # Get classes to assist working with tallies
-        if reaction_rate_mode == "direct":
-            self._rate_helper = DirectReactionRateHelper(
-                self.reaction_rates.n_nuc, self.reaction_rates.n_react)
-        elif reaction_rate_mode == "flux":
-            if reaction_rate_opts is None:
-                reaction_rate_opts = {}
-
-            # Ensure energy group boundaries were specified
-            if 'energies' not in reaction_rate_opts:
-                raise ValueError(
-                    "Energy group boundaries must be specified in the "
-                    "reaction_rate_opts argument when reaction_rate_mode is"
-                    "set to 'flux'.")
-
-            self._rate_helper = FluxCollapseHelper(
-                self.reaction_rates.n_nuc,
-                self.reaction_rates.n_react,
-                **reaction_rate_opts
-            )
-        else:
-            raise ValueError("Invalid reaction rate mode.")
-
-        if normalization_mode == "fission-q":
-            self._normalization_helper = ChainFissionHelper()
-        elif normalization_mode == "energy-deposition":
-            score = "heating" if self.settings.photon_transport else "heating-local"
-            self._normalization_helper = EnergyScoreHelper(score)
-        else:
-            self._normalization_helper = SourceRateHelper()
-
-        # Select and create fission yield helper
-        fission_helper = self._fission_helpers[fission_yield_mode]
-        fission_yield_opts = (
-            {} if fission_yield_opts is None else fission_yield_opts)
-        self._yield_helper = fission_helper.from_operator(
-            self, **fission_yield_opts)
+        super().__init__(model.materials, cross_sections, chain_file, prev_results,
+                 diff_burnable_mats, normalization_mode,
+                 fission_q, dilute_initial,
+                 fission_yield_mode, fission_yield_opts,
+                 reaction_rate_mode, reaction_rate_opts,
+                 reduce_chain, reduce_chain_level)
 
     def __call__(self, vec, source_rate):
         """Runs a simulation.
@@ -357,11 +267,12 @@ class Operator(OpenMCOperator):
         openmc.reset_auto_ids()
 
         # Update tally nuclides data in preparation for transport solve
-        nuclides = super()._get_tally_nuclides()
+        nuclides = self._get_reaction_nuclides()
         self._rate_helper.nuclides = nuclides
         self._normalization_helper.nuclides = nuclides
         self._yield_helper.update_tally_nuclides(nuclides)
 
+
         # Run OpenMC
         openmc.lib.run()
         openmc.lib.reset_timers()
@@ -416,6 +327,10 @@ class Operator(OpenMCOperator):
                     cell.fill = [mat.clone()
                                  for i in range(cell.num_instances)]
 
+        self.materials = openmc.Materials(
+                model.geometry.get_all_materials().values()
+            )
+
     def initial_condition(self):
         """Performs final setup and returns initial condition.
 
@@ -513,3 +428,62 @@ class Operator(OpenMCOperator):
                     nuclides.add(name)
 
         return nuclides
+
+    def _load_previous_results(self):
+        """Load reuslts from a previous depletion simulation"""
+        # Reload volumes into geometry
+        prev_results[-1].transfer_volumes(self.model)
+
+        # Store previous results in operator
+        # Distribute reaction rates according to those tracked
+        # on this process
+        if comm.size == 1:
+            self.prev_res = prev_results
+        else:
+            self.prev_res = Results()
+            mat_indexes = _distribute(range(len(self.burnable_mats)))
+            for res_obj in prev_results:
+                new_res = res_obj.distribute(self.local_mats, mat_indexes)
+                self.prev_res.append(new_res)
+
+    def _get_helper_classes(self, reaction_rate_mode, reaction_rate_opts, normalization_mode, fission_yield_mode, fission_yield_opts):
+        """Create the ``_rate_helper``, ``normalization_helper``, and
+        ``_yield_helper`` attributes"""
+        # Get classes to assist working with tallies
+        if reaction_rate_mode == "direct":
+            self._rate_helper = DirectReactionRateHelper(
+                self.reaction_rates.n_nuc, self.reaction_rates.n_react)
+        elif reaction_rate_mode == "flux":
+            if reaction_rate_opts is None:
+                reaction_rate_opts = {}
+
+            # Ensure energy group boundaries were specified
+            if 'energies' not in reaction_rate_opts:
+                raise ValueError(
+                    "Energy group boundaries must be specified in the "
+                    "reaction_rate_opts argument when reaction_rate_mode is"
+                    "set to 'flux'.")
+
+            self._rate_helper = FluxCollapseHelper(
+                self.reaction_rates.n_nuc,
+                self.reaction_rates.n_react,
+                **reaction_rate_opts
+            )
+        else:
+            raise ValueError("Invalid reaction rate mode.")
+
+        if normalization_mode == "fission-q":
+            self._normalization_helper = ChainFissionHelper()
+        elif normalization_mode == "energy-deposition":
+            score = "heating" if self.settings.photon_transport else "heating-local"
+            self._normalization_helper = EnergyScoreHelper(score)
+        else:
+            self._normalization_helper = SourceRateHelper()
+
+        # Select and create fission yield helper
+        fission_helper = self._fission_helpers[fission_yield_mode]
+        fission_yield_opts = (
+            {} if fission_yield_opts is None else fission_yield_opts)
+        self._yield_helper = fission_helper.from_operator(
+            self, **fission_yield_opts)
+

From 227c4e330fa2a339afa9cb3e5fb5f536683f3689 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Thu, 14 Jul 2022 09:36:17 +0100
Subject: [PATCH 0576/2654] improved doc strings added checks

---
 openmc/universe.py | 13 ++++++++++++-
 1 file changed, 12 insertions(+), 1 deletion(-)

diff --git a/openmc/universe.py b/openmc/universe.py
index 2fd931506..06807bab3 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -12,9 +12,12 @@ import numpy as np
 
 import openmc
 import openmc.checkvalue as cv
+
 from ._xml import get_text
+from .checkvalue import check_type, check_value
 from .mixin import IDManagerMixin
 from .plots import _SVG_COLORS
+from .surface import _BOUNDARY_TYPES
 
 
 class UniverseBase(ABC, IDManagerMixin):
@@ -724,13 +727,17 @@ class DAGMCUniverse(UniverseBase):
             made from siz planes (box).
         boundary_type : str
             Boundary condition that defines the behavior for particles hitting
-            the surface. Defaults to vacuum boundary condition. Passed into
+            the surface. Defaults to vacuum boundary condition. Passed into the
+            surface construction.
         Returns
         -------
         openmc.Region
             Region instance
         """
 
+        check_type('boundary type', boundary_type, str)
+        check_value('boundary type', boundary_type, _BOUNDARY_TYPES)
+
         bounding_box = self.bounding_box
 
         if bounded_type == 'sphere':
@@ -753,6 +760,10 @@ class DAGMCUniverse(UniverseBase):
             return +lower_x & -upper_x & +lower_y & -upper_y & +lower_z & -upper_z
 
     def bounded_universe(self, **kwargs):
+        """Returns an openmc.Universe filled with the DAGMCUniverse and bounded
+        with a cell. Defaults to a box cell with a vacuum surface. kwargs are
+        passed directly to DAGMCUniverse.bounding_region()"""
+
         bounding_cell = openmc.Cell(fill=self, region=self.bounding_region(**kwargs))
         return openmc.Universe(cells=[bounding_cell])
 

From 28e203c8286acd83ccd97ce23d4c8e19b4ceb559 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <drshimwell@gmail.com>
Date: Thu, 14 Jul 2022 15:10:27 +0100
Subject: [PATCH 0577/2654] typos fixed in review by @pshriwise

Co-authored-by: Patrick Shriwise <pshriwise@gmail.com>
---
 openmc/universe.py | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/openmc/universe.py b/openmc/universe.py
index 06807bab3..7ecf489ce 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -724,7 +724,7 @@ class DAGMCUniverse(UniverseBase):
         bounded_type : str
             The type of bounding surface(s) to use when constructing the region.
             Options include a single spherical surface (sphere) or a rectangle
-            made from siz planes (box).
+            made from six planes (box).
         boundary_type : str
             Boundary condition that defines the behavior for particles hitting
             the surface. Defaults to vacuum boundary condition. Passed into the
@@ -760,7 +760,7 @@ class DAGMCUniverse(UniverseBase):
             return +lower_x & -upper_x & +lower_y & -upper_y & +lower_z & -upper_z
 
     def bounded_universe(self, **kwargs):
-        """Returns an openmc.Universe filled with the DAGMCUniverse and bounded
+        """Returns an openmc.Universe filled with this DAGMCUniverse and bounded
         with a cell. Defaults to a box cell with a vacuum surface. kwargs are
         passed directly to DAGMCUniverse.bounding_region()"""
 

From 839b862d5645be785fd1f79dc6c3ba3f19e39b9e Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Thu, 14 Jul 2022 15:15:04 +0100
Subject: [PATCH 0578/2654] added type value check for bounded type

---
 openmc/universe.py | 2 ++
 1 file changed, 2 insertions(+)

diff --git a/openmc/universe.py b/openmc/universe.py
index 7ecf489ce..e46d4d027 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -737,6 +737,8 @@ class DAGMCUniverse(UniverseBase):
 
         check_type('boundary type', boundary_type, str)
         check_value('boundary type', boundary_type, _BOUNDARY_TYPES)
+        check_type('bounded type', bounded_type, str)
+        check_value('bounded type', bounded_type, ('box', 'sphere'))
 
         bounding_box = self.bounding_box
 

From 4c62517b1aa4cbc4b1c742c97e39473551be4682 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Thu, 14 Jul 2022 16:50:33 +0100
Subject: [PATCH 0579/2654] added test to check bounded_universe is usable in
 model (should fail)

---
 tests/regression_tests/dagmc/universes/test.py | 7 +++++++
 1 file changed, 7 insertions(+)

diff --git a/tests/regression_tests/dagmc/universes/test.py b/tests/regression_tests/dagmc/universes/test.py
index f6964857d..7abd80ef7 100644
--- a/tests/regression_tests/dagmc/universes/test.py
+++ b/tests/regression_tests/dagmc/universes/test.py
@@ -46,6 +46,13 @@ class DAGMCUniverseTest(PyAPITestHarness):
         # create the DAGMC universe
         pincell_univ = openmc.DAGMCUniverse(filename='dagmc.h5m', auto_geom_ids=True)
 
+        # creates another DAGMC universe, this time with within a bounded cell
+        bound_pincell_cell = openmc.DAGMCUniverse(filename='dagmc.h5m').bounded_universe()
+        # uses the bound_dag_cell as the root argument to test the type checks in openmc.Geometry
+        bound_pincell_geometry = openmc.Geometry(root=[bound_pincell_cell])
+        # assigns the bound_dag_geometry to the model to test the type checks in model.Geometry setter
+        model.Geometry = bound_pincell_geometry
+
         # checks that the bounding box is calculated correctly
         bounding_box = pincell_univ.bounding_box
         assert bounding_box[0].tolist() == [-25., -25., -25.]

From 3d091a6cfbdb24242886e7a8d076852b8b085d4d Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Thu, 14 Jul 2022 16:51:22 +0100
Subject: [PATCH 0580/2654] returning Cell instead of Universe

---
 openmc/universe.py | 14 ++++++++++----
 1 file changed, 10 insertions(+), 4 deletions(-)

diff --git a/openmc/universe.py b/openmc/universe.py
index e46d4d027..9931724fb 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -762,12 +762,18 @@ class DAGMCUniverse(UniverseBase):
             return +lower_x & -upper_x & +lower_y & -upper_y & +lower_z & -upper_z
 
     def bounded_universe(self, **kwargs):
-        """Returns an openmc.Universe filled with this DAGMCUniverse and bounded
-        with a cell. Defaults to a box cell with a vacuum surface. kwargs are
-        passed directly to DAGMCUniverse.bounding_region()"""
+        """Returns an openmc.Cell that bounds the DAGMCUniverse and is filled
+        with the DAGMCUniverse. Defaults to a box cell with a vacuum surface.
+        kwargs are passed directly to DAGMCUniverse.bounding_region()
+
+        Returns
+        -------
+        openmc.Cell
+            cell filled with the DAGMCUniverse
+        """
 
         bounding_cell = openmc.Cell(fill=self, region=self.bounding_region(**kwargs))
-        return openmc.Universe(cells=[bounding_cell])
+        return bounding_cell
 
     @classmethod
     def from_hdf5(cls, group):

From c3e60da1b9f2c04545200e8d5f16360304c166ca Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Thu, 14 Jul 2022 16:55:26 +0100
Subject: [PATCH 0581/2654] testing and returing openmc.Universe

---
 openmc/universe.py                             | 12 ++++++------
 tests/regression_tests/dagmc/universes/test.py |  4 ++--
 2 files changed, 8 insertions(+), 8 deletions(-)

diff --git a/openmc/universe.py b/openmc/universe.py
index 9931724fb..811b27b31 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -762,18 +762,18 @@ class DAGMCUniverse(UniverseBase):
             return +lower_x & -upper_x & +lower_y & -upper_y & +lower_z & -upper_z
 
     def bounded_universe(self, **kwargs):
-        """Returns an openmc.Cell that bounds the DAGMCUniverse and is filled
-        with the DAGMCUniverse. Defaults to a box cell with a vacuum surface.
-        kwargs are passed directly to DAGMCUniverse.bounding_region()
+        """Returns an openmc.Universe filled with this DAGMCUniverse and bounded
+        with a cell. Defaults to a box cell with a vacuum surface. kwargs are
+        passed directly to DAGMCUniverse.bounding_region()
 
         Returns
         -------
-        openmc.Cell
-            cell filled with the DAGMCUniverse
+        openmc.Universe
+            Universe instance
         """
 
         bounding_cell = openmc.Cell(fill=self, region=self.bounding_region(**kwargs))
-        return bounding_cell
+        return openmc.Universe(cells=[bounding_cell])
 
     @classmethod
     def from_hdf5(cls, group):
diff --git a/tests/regression_tests/dagmc/universes/test.py b/tests/regression_tests/dagmc/universes/test.py
index 7abd80ef7..f2eb3882f 100644
--- a/tests/regression_tests/dagmc/universes/test.py
+++ b/tests/regression_tests/dagmc/universes/test.py
@@ -47,9 +47,9 @@ class DAGMCUniverseTest(PyAPITestHarness):
         pincell_univ = openmc.DAGMCUniverse(filename='dagmc.h5m', auto_geom_ids=True)
 
         # creates another DAGMC universe, this time with within a bounded cell
-        bound_pincell_cell = openmc.DAGMCUniverse(filename='dagmc.h5m').bounded_universe()
+        bound_pincell_universe = openmc.DAGMCUniverse(filename='dagmc.h5m').bounded_universe()
         # uses the bound_dag_cell as the root argument to test the type checks in openmc.Geometry
-        bound_pincell_geometry = openmc.Geometry(root=[bound_pincell_cell])
+        bound_pincell_geometry = openmc.Geometry(root=bound_pincell_universe)
         # assigns the bound_dag_geometry to the model to test the type checks in model.Geometry setter
         model.Geometry = bound_pincell_geometry
 

From 34e4a5efd12b8adc21ae9c3bb83fc073fc95df71 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Thu, 14 Jul 2022 18:06:07 +0100
Subject: [PATCH 0582/2654] setting auto_geom_ids to true for bounded universe

---
 openmc/universe.py | 15 ++++++++++++---
 1 file changed, 12 insertions(+), 3 deletions(-)

diff --git a/openmc/universe.py b/openmc/universe.py
index 811b27b31..989b50c73 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -761,10 +761,18 @@ class DAGMCUniverse(UniverseBase):
 
             return +lower_x & -upper_x & +lower_y & -upper_y & +lower_z & -upper_z
 
-    def bounded_universe(self, **kwargs):
+    def bounded_universe(self, auto_geom_ids=True, **kwargs):
         """Returns an openmc.Universe filled with this DAGMCUniverse and bounded
-        with a cell. Defaults to a box cell with a vacuum surface. kwargs are
-        passed directly to DAGMCUniverse.bounding_region()
+        with a cell. Defaults to a box cell with a vacuum surface however this
+        can be changed using the kwargs which are passed directly to
+        DAGMCUniverse.bounding_region().
+
+        Parameters
+        ----------
+        auto_geom_ids : bool
+            Set IDs automatically on initialization (True) or report overlaps
+            in ID space between CSG and DAGMC (False). Defaults to True to avoid
+            overlapping ID numbers between the CSG and DAGMC geometry ID numbers
 
         Returns
         -------
@@ -772,6 +780,7 @@ class DAGMCUniverse(UniverseBase):
             Universe instance
         """
 
+        self.auto_geom_ids = auto_geom_ids
         bounding_cell = openmc.Cell(fill=self, region=self.bounding_region(**kwargs))
         return openmc.Universe(cells=[bounding_cell])
 

From 6ff164131c12db9c9b7c3d79a93095593e29c9d9 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Thu, 14 Jul 2022 12:53:41 -0500
Subject: [PATCH 0583/2654] clean up docstrings, function ordering

---
 openmc/deplete/openmc_operator.py | 141 +++++++++----
 openmc/deplete/operator.py        | 332 +++++++++++++++---------------
 2 files changed, 264 insertions(+), 209 deletions(-)

diff --git a/openmc/deplete/openmc_operator.py b/openmc/deplete/openmc_operator.py
index a2296d88a..0a64c6fee 100644
--- a/openmc/deplete/openmc_operator.py
+++ b/openmc/deplete/openmc_operator.py
@@ -7,7 +7,6 @@ This module implements functions used by both OpenMC transport operators as well
 import copy
 from abc import abstractmethod
 from collections import OrderedDict
-import os
 
 import numpy as np
 from uncertainties import ufloat
@@ -18,8 +17,6 @@ from openmc.mpi import comm
 from .abc import TransportOperator, OperatorResult
 from .atom_number import AtomNumber
 from .reaction_rates import ReactionRates
-from .results import Results
-
 
 __all__ = ["OpenMCOperator", "OperatorResult"]
 
@@ -47,16 +44,11 @@ def _distribute(items):
         j += chunk_size
 
 class OpenMCOperator(TransportOperator):
-    """OpenMC transport operator for depletion.
+    """Abstrct class holding OpenMC-specific functions for running
+    depletion calculations.
 
-    Instances of this class can be used to perform depletion using OpenMC as the
-    transport operator. Normally, a user needn't call methods of this class
-    directly. Instead, an instance of this class is passed to an integrator
-    class, such as :class:`openmc.deplete.CECMIntegrator`.
-
-    .. versionchanged:: 0.13.0
-        The geometry and settings parameters have been replaced with a
-        model parameter that takes a :class:`~openmc.model.Model` object
+    Specific classes for running couples transport-depleton calculations or
+    depletion-only calculations are implemented as subclasses of OpenMCOperator
 
     Parameters
     ----------
@@ -68,6 +60,12 @@ class OpenMCOperator(TransportOperator):
         Results from a previous depletion calculation. If this argument is
         specified, the depletion calculation will start from the latest state
         in the previous results.
+    diff_burnable_mats : bool, optional
+        Whether to differentiate burnable materials with multiple instances.
+        Volumes are divided equally from the original material volume.
+        Default: False.
+    normalization_mode : str
+        Indicate how reaction rates should be normalized.
     fission_q : dict, optional
         Dictionary of nuclides and their fission Q values [eV]. If not given,
         values will be pulled from the ``chain_file``. Only applicable
@@ -77,6 +75,30 @@ class OpenMCOperator(TransportOperator):
         in initial condition to ensure they exist in the decay chain.
         Only done for nuclides with reaction rates.
         Defaults to 1.0e3.
+    fission_yield_mode : str
+        Key indicating what fission product yield scheme to use.
+    fission_yield_opts : dict of str to option, optional
+        Optional arguments to pass to the helper determined by
+        ``fission_yield_mode``. Will be passed directly on to the
+        helper. Passing a value of None will use the defaults for
+        the associated helper.
+    reaction_rate_mode : str, optional
+        Indicate how one-group reaction rates should be calculated.
+    reaction_rate_opts : dict, optional
+        Keyword arguments that are passed to the reaction rate helper class.
+    reduce_chain : bool, optional
+        If True, use :meth:`openmc.deplete.Chain.reduce` to reduce the
+        depletion chain up to ``reduce_chain_level``. Default is False.
+
+        .. versionadded:: 0.12
+    reduce_chain_level : int, optional
+        Depth of the search when reducing the depletion chain. Only used
+        if ``reduce_chain`` evaluates to true. The default value of
+        ``None`` implies no limit on the depth.
+
+        .. versionadded:: 0.12
+
+
 
     Attributes
     ----------
@@ -112,9 +134,6 @@ class OpenMCOperator(TransportOperator):
     prev_res : Results or None
         Results from a previous depletion calculation. ``None`` if no
         results are to be used.
-    cleanup_when_done : bool
-        Whether to finalize and clear the shared library memory when the
-        depletion operation is complete. Defaults to clearing the library.
     """
 
     def __init__(self, materials=None, cross_sections=None, chain_file=None, prev_results=None, diff_burnable_mats=False, normalization_mode=None, fission_q=None, dilute_initial=0.0, fission_yield_mode=None, fission_yield_opts=None,
@@ -170,7 +189,11 @@ class OpenMCOperator(TransportOperator):
         self.reaction_rates = ReactionRates(
             self.local_mats, self._burnable_nucs, self.chain.reactions)
 
-        self._get_helper_classes(reaction_rate_mode, reaction_rate_opts, normalization_mode, fission_yield_mode, fission_yield_opts)
+        self._get_helper_classes(reaction_rate_mode, normalization_mode, fission_yield_mode, reaction_rate_opts, fission_yield_opts)
+
+    @abstractmethod
+    def _differentiate_burnable_mats(self):
+        """Assign distribmats for each burnable material"""
 
     def _get_burnable_mats(self):
         """Determine depletable materials, volumes, and nuclides
@@ -221,6 +244,15 @@ class OpenMCOperator(TransportOperator):
 
         return burnable_mats, volume, nuclides
 
+
+    @abstractmethod
+    def _load_previous_results(self):
+        """Load reuslts from a previous depletion simulation"""
+
+    @abstractmethod
+    def _get_nuclides_with_data(self, cross_sections):
+        """Find nuclides with cross section data"""
+
     def _extract_number(self, local_mats, volume, all_nuclides, prev_res=None):
         """Construct AtomNumber using geometry
 
@@ -304,12 +336,37 @@ class OpenMCOperator(TransportOperator):
 
             self.number.set_atom_density(mat_id, nuclide, atom_per_cc)
 
+    @abstractmethod
+    def _get_helper_classes(self, reaction_rate_mode, normalization_mode, fission_yield_mode, reaction_rate_opts, fission_yield_opts):
+        """Create the ``_rate_helper``, ``_normalization_helper``, and
+        ``_yield_helper`` objects.
+
+        Parameters
+        ----------
+        reaction_rate_mode : str
+            Indicates the subclass of :class:`ReactionRateHelper` to
+            instantiate.
+        normalization_mode : str
+            Indicates the subclass of :class:`NormalizationHelper` to
+            instatiate.
+        fission_yield_mode : str
+            Indicates the subclass of :class:`FissionYieldHelper` to instatiate.
+        reaction_rate_opts : dict
+            Keyword arguments that are passed to the :class:`ReactionRateHelper`
+            subclass.
+        fission_yield_opts : dict
+            Keyword arguments that are passed to the :class:`FissionYieldHelper`
+            subclass.
+
+        """
+
     def initial_condition(self, materials):
         """Performs final setup and returns initial condition.
 
         Parameters
         ----------
-        materials : ???
+        materials : list of str
+            list of material IDs
 
         Returns
         -------
@@ -328,6 +385,22 @@ class OpenMCOperator(TransportOperator):
         # Return number density vector
         return list(self.number.get_mat_slice(np.s_[:]))
 
+    def _update_materials_and_nuclides(self, vec):
+        """Update the number density, material compositions, and nuclide
+        lists in helper objects"""
+        # Update the number densities regardless of the source rate
+        self.number.set_density(vec)
+        self._update_materials()
+
+        # Prevent OpenMC from complaining about re-creating tallies
+        openmc.reset_auto_ids()
+
+        # Update tally nuclides data in preparation for transport solve
+        nuclides = self._get_reaction_nuclides()
+        self._rate_helper.nuclides = nuclides
+        self._normalization_helper.nuclides = nuclides
+        self._yield_helper.update_tally_nuclides(nuclides)
+
     @abstractmethod
     def _update_materials(self):
         """Updates material compositions in OpenMC on all processes."""
@@ -335,16 +408,16 @@ class OpenMCOperator(TransportOperator):
     def _get_reaction_nuclides(self):
         """Determine nuclides that should be tallied for reaction rates.
 
-        This method returns a list of all nuclides that have neutron data and
-        are listed in the depletion chain. Technically, we should tally nuclides
-        that may not appear in the depletion chain because we still need to get
-        the fission reaction rate for these nuclides in order to normalize
-        power, but that is left as a future exercise.
+        This method returns a list of all nuclides that have cross section data
+        and are listed in the depletion chain. Technically, we should count
+        nuclides that may not appear in the depletion chain because we still
+        need to get the fission reaction rate for these nuclides in order to
+        normalize power, but that is left as a future exercise.
 
         Returns
         -------
         list of str
-            Tally nuclides
+            Nuclides with reaction rates
 
         """
         nuc_set = set()
@@ -371,7 +444,7 @@ class OpenMCOperator(TransportOperator):
         else:
             nuc_list = None
 
-        # Store list of tally nuclides on each process
+        # Store list of nuclides on each process
         nuc_list = comm.bcast(nuc_list)
         return [nuc for nuc in nuc_list if nuc in self.chain]
 
@@ -450,26 +523,6 @@ class OpenMCOperator(TransportOperator):
 
         return rates
 
-
-    @abstractmethod
-    def _get_helper_classes(self, reaction_rate_mode, reaction_rate_opts, normalization_mode, fission_yield_mode, fission_yield_opts):
-        """Create the ``_rate_helper``, ``normalization_helper``, and
-        ``_yield_helper`` attributes"""
-
-    @abstractmethod
-    def _load_previous_results(self):
-        """Load reuslts from a previous depletion simulation"""
-
-    @abstractmethod
-    def _get_nuclides_with_data(self, cross_sections):
-        """Find nuclides with cross section data"""
-
-    @abstractmethod
-    def _differentiate_burnable_mats(self):
-        """Assign distribmats for each burnable material
-
-        """
-
     def get_results_info(self):
         """Returns volume list, material lists, and nuc lists.
 
diff --git a/openmc/deplete/operator.py b/openmc/deplete/operator.py
index 2770494ba..30563623c 100644
--- a/openmc/deplete/operator.py
+++ b/openmc/deplete/operator.py
@@ -8,7 +8,6 @@ densities is all done in-memory instead of through the filesystem.
 """
 
 import copy
-from collections import OrderedDict
 import os
 from warnings import warn
 
@@ -21,11 +20,9 @@ from openmc.data import DataLibrary
 from openmc.exceptions import DataError
 import openmc.lib
 from openmc.mpi import comm
-from .abc import TransportOperator, OperatorResult
-from .atom_number import AtomNumber
+from .abc import OperatorResult
 from .chain import _find_chain_file
 from .openmc_operator import OpenMCOperator, _distribute
-from .reaction_rates import ReactionRates
 from .results import Results
 from .helpers import (
     DirectReactionRateHelper, ChainFissionHelper, ConstantFissionYieldHelper,
@@ -229,81 +226,8 @@ class Operator(OpenMCOperator):
                  reaction_rate_mode, reaction_rate_opts,
                  reduce_chain, reduce_chain_level)
 
-    def __call__(self, vec, source_rate):
-        """Runs a simulation.
-
-        Simulation will abort under the following circumstances:
-
-            1) No energy is computed using OpenMC tallies.
-
-        Parameters
-        ----------
-        vec : list of numpy.ndarray
-            Total atoms to be used in function.
-        source_rate : float
-            Power in [W] or source rate in [neutron/sec]
-
-        Returns
-        -------
-        openmc.deplete.OperatorResult
-            Eigenvalue and reaction rates resulting from transport operator
-
-        """
-        # Reset results in OpenMC
-        openmc.lib.reset()
-
-        # Update the number densities regardless of the source rate
-        self.number.set_density(vec)
-        self._update_materials()
-
-        # If the source rate is zero, return zero reaction rates without running
-        # a transport solve
-        if source_rate == 0.0:
-            rates = self.reaction_rates.copy()
-            rates.fill(0.0)
-            return OperatorResult(ufloat(0.0, 0.0), rates)
-
-        # Prevent OpenMC from complaining about re-creating tallies
-        openmc.reset_auto_ids()
-
-        # Update tally nuclides data in preparation for transport solve
-        nuclides = self._get_reaction_nuclides()
-        self._rate_helper.nuclides = nuclides
-        self._normalization_helper.nuclides = nuclides
-        self._yield_helper.update_tally_nuclides(nuclides)
-
-
-        # Run OpenMC
-        openmc.lib.run()
-        openmc.lib.reset_timers()
-
-        # Extract results
-        rates = self._calculate_reaction_rates(source_rate)
-
-        # Get k and uncertainty
-        keff = ufloat(*openmc.lib.keff())
-
-        op_result = OperatorResult(keff, rates)
-
-        return copy.deepcopy(op_result)
-
-    @staticmethod
-    def write_bos_data(step):
-        """Write a state-point file with beginning of step data
-
-        Parameters
-        ----------
-        step : int
-            Current depletion step including restarts
-        """
-        openmc.lib.statepoint_write(
-            "openmc_simulation_n{}.h5".format(step),
-            write_source=False)
-
     def _differentiate_burnable_mats(self):
-        """Assign distribmats for each burnable material
-
-        """
+        """Assign distribmats for each burnable material"""
 
         # Count the number of instances for each cell and material
         self.geometry.determine_paths(instances_only=True)
@@ -331,6 +255,97 @@ class Operator(OpenMCOperator):
                 model.geometry.get_all_materials().values()
             )
 
+    def _load_previous_results(self):
+        """Load results from a previous depletion simulation"""
+        # Reload volumes into geometry
+        prev_results[-1].transfer_volumes(self.model)
+
+        # Store previous results in operator
+        # Distribute reaction rates according to those tracked
+        # on this process
+        if comm.size == 1:
+            self.prev_res = prev_results
+        else:
+            self.prev_res = Results()
+            mat_indexes = _distribute(range(len(self.burnable_mats)))
+            for res_obj in prev_results:
+                new_res = res_obj.distribute(self.local_mats, mat_indexes)
+                self.prev_res.append(new_res)
+
+    def _get_nuclides_with_data(self, cross_sections):
+        """Loads cross_sections.xml file to find nuclides with neutron data"""
+        nuclides = set()
+        data_lib = DataLibrary.from_xml(cross_sections)
+        for library in data_lib.libraries:
+            if library['type'] != 'neutron':
+                continue
+            for name in library['materials']:
+                if name not in nuclides:
+                    nuclides.add(name)
+
+        return nuclides
+
+    def _get_helper_classes(self, reaction_rate_mode, normalization_mode, fission_yield_mode,
+                            reaction_rate_opts, fission_yield_opts):
+        """Create the ``_rate_helper``, ``_normalization_helper``, and
+        ``_yield_helper`` objects.
+
+        Parameters
+        ----------
+        reaction_rate_mode : str
+            Indicates the subclass of :class:`ReactionRateHelper` to
+            instantiate.
+        normalization_mode : str
+            Indicates the subclass of :class:`NormalizationHelper` to
+            instatiate.
+        fission_yield_mode : str
+            Indicates the subclass of :class:`FissionYieldHelper` to instatiate.
+        reaction_rate_opts : dict
+            Keyword arguments that are passed to the :class:`ReactionRateHelper`
+            subclass.
+        fission_yield_opts : dict
+            Keyword arguments that are passed to the :class:`FissionYieldHelper`
+            subclass.
+
+        """
+        # Get classes to assist working with tallies
+        if reaction_rate_mode == "direct":
+            self._rate_helper = DirectReactionRateHelper(
+                self.reaction_rates.n_nuc, self.reaction_rates.n_react)
+        elif reaction_rate_mode == "flux":
+            if reaction_rate_opts is None:
+                reaction_rate_opts = {}
+
+            # Ensure energy group boundaries were specified
+            if 'energies' not in reaction_rate_opts:
+                raise ValueError(
+                    "Energy group boundaries must be specified in the "
+                    "reaction_rate_opts argument when reaction_rate_mode is"
+                    "set to 'flux'.")
+
+            self._rate_helper = FluxCollapseHelper(
+                self.reaction_rates.n_nuc,
+                self.reaction_rates.n_react,
+                **reaction_rate_opts
+            )
+        else:
+            raise ValueError("Invalid reaction rate mode.")
+
+        if normalization_mode == "fission-q":
+            self._normalization_helper = ChainFissionHelper()
+        elif normalization_mode == "energy-deposition":
+            score = "heating" if self.settings.photon_transport else "heating-local"
+            self._normalization_helper = EnergyScoreHelper(score)
+        else:
+            self._normalization_helper = SourceRateHelper()
+
+        # Select and create fission yield helper
+        fission_helper = self._fission_helpers[fission_yield_mode]
+        fission_yield_opts = (
+            {} if fission_yield_opts is None else fission_yield_opts)
+        self._yield_helper = fission_helper.from_operator(
+            self, **fission_yield_opts)
+
     def initial_condition(self):
         """Performs final setup and returns initial condition.
 
@@ -357,10 +372,66 @@ class Operator(OpenMCOperator):
 
         return super().initial_condition(materials)
 
-    def finalize(self):
-        """Finalize a depletion simulation and release resources."""
-        if self.cleanup_when_done:
-            openmc.lib.finalize()
+    def _generate_materials_xml(self):
+        """Creates materials.xml from self.number.
+
+        Due to uncertainty with how MPI interacts with OpenMC API, this
+        constructs the XML manually.  The long term goal is to do this
+        through direct memory writing.
+
+        """
+        # Sort nuclides according to order in AtomNumber object
+        nuclides = list(self.number.nuclides)
+        for mat in self.materials:
+            mat._nuclides.sort(key=lambda x: nuclides.index(x[0]))
+
+        self.materials.export_to_xml()
+
+    def __call__(self, vec, source_rate):
+        """Runs a simulation.
+
+        Simulation will abort under the following circumstances:
+
+            1) No energy is computed using OpenMC tallies.
+
+        Parameters
+        ----------
+        vec : list of numpy.ndarray
+            Total atoms to be used in function.
+        source_rate : float
+            Power in [W] or source rate in [neutron/sec]
+
+        Returns
+        -------
+        openmc.deplete.OperatorResult
+            Eigenvalue and reaction rates resulting from transport operator
+
+        """
+        # Reset results in OpenMC
+        openmc.lib.reset()
+
+        self._update_materials_and_nuclides(vec)
+
+        # If the source rate is zero, return zero reaction rates without running
+        # a transport solve
+        if source_rate == 0.0:
+            rates = self.reaction_rates.copy()
+            rates.fill(0.0)
+            return OperatorResult(ufloat(0.0, 0.0), rates)
+
+        # Run OpenMC
+        openmc.lib.run()
+        openmc.lib.reset_timers()
+
+        # Extract results
+        rates = self._calculate_reaction_rates(source_rate)
+
+        # Get k and uncertainty
+        keff = ufloat(*openmc.lib.keff())
+
+        op_result = OperatorResult(keff, rates)
+
+        return copy.deepcopy(op_result)
 
     def _update_materials(self):
         """Updates material compositions in OpenMC on all processes."""
@@ -401,89 +472,20 @@ class Operator(OpenMCOperator):
                 #TODO Update densities on the Python side, otherwise the
                 # summary.h5 file contains densities at the first time step
 
-    def _generate_materials_xml(self):
-        """Creates materials.xml from self.number.
-
-        Due to uncertainty with how MPI interacts with OpenMC API, this
-        constructs the XML manually.  The long term goal is to do this
-        through direct memory writing.
+    @staticmethod
+    def write_bos_data(step):
+        """Write a state-point file with beginning of step data
 
+        Parameters
+        ----------
+        step : int
+            Current depletion step including restarts
         """
-        # Sort nuclides according to order in AtomNumber object
-        nuclides = list(self.number.nuclides)
-        for mat in self.materials:
-            mat._nuclides.sort(key=lambda x: nuclides.index(x[0]))
-
-        self.materials.export_to_xml()
-
-    def _get_nuclides_with_data(self, cross_sections):
-        """Loads cross_sections.xml file to find nuclides with neutron data"""
-        nuclides = set()
-        data_lib = DataLibrary.from_xml(cross_sections)
-        for library in data_lib.libraries:
-            if library['type'] != 'neutron':
-                continue
-            for name in library['materials']:
-                if name not in nuclides:
-                    nuclides.add(name)
-
-        return nuclides
-
-    def _load_previous_results(self):
-        """Load reuslts from a previous depletion simulation"""
-        # Reload volumes into geometry
-        prev_results[-1].transfer_volumes(self.model)
-
-        # Store previous results in operator
-        # Distribute reaction rates according to those tracked
-        # on this process
-        if comm.size == 1:
-            self.prev_res = prev_results
-        else:
-            self.prev_res = Results()
-            mat_indexes = _distribute(range(len(self.burnable_mats)))
-            for res_obj in prev_results:
-                new_res = res_obj.distribute(self.local_mats, mat_indexes)
-                self.prev_res.append(new_res)
-
-    def _get_helper_classes(self, reaction_rate_mode, reaction_rate_opts, normalization_mode, fission_yield_mode, fission_yield_opts):
-        """Create the ``_rate_helper``, ``normalization_helper``, and
-        ``_yield_helper`` attributes"""
-        # Get classes to assist working with tallies
-        if reaction_rate_mode == "direct":
-            self._rate_helper = DirectReactionRateHelper(
-                self.reaction_rates.n_nuc, self.reaction_rates.n_react)
-        elif reaction_rate_mode == "flux":
-            if reaction_rate_opts is None:
-                reaction_rate_opts = {}
-
-            # Ensure energy group boundaries were specified
-            if 'energies' not in reaction_rate_opts:
-                raise ValueError(
-                    "Energy group boundaries must be specified in the "
-                    "reaction_rate_opts argument when reaction_rate_mode is"
-                    "set to 'flux'.")
-
-            self._rate_helper = FluxCollapseHelper(
-                self.reaction_rates.n_nuc,
-                self.reaction_rates.n_react,
-                **reaction_rate_opts
-            )
-        else:
-            raise ValueError("Invalid reaction rate mode.")
-
-        if normalization_mode == "fission-q":
-            self._normalization_helper = ChainFissionHelper()
-        elif normalization_mode == "energy-deposition":
-            score = "heating" if self.settings.photon_transport else "heating-local"
-            self._normalization_helper = EnergyScoreHelper(score)
-        else:
-            self._normalization_helper = SourceRateHelper()
-
-        # Select and create fission yield helper
-        fission_helper = self._fission_helpers[fission_yield_mode]
-        fission_yield_opts = (
-            {} if fission_yield_opts is None else fission_yield_opts)
-        self._yield_helper = fission_helper.from_operator(
-            self, **fission_yield_opts)
+        openmc.lib.statepoint_write(
+            "openmc_simulation_n{}.h5".format(step),
+            write_source=False)
 
+    def finalize(self):
+        """Finalize a depletion simulation and release resources."""
+        if self.cleanup_when_done:
+            openmc.lib.finalize()

From 0a05f9dcb4320ae0c7dbd88547ca2bf9b35b68f5 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Thu, 14 Jul 2022 12:54:51 -0500
Subject: [PATCH 0584/2654] pep8 fixes

---
 openmc/deplete/openmc_operator.py | 49 ++++++++++++++++++++++-------
 openmc/deplete/operator.py        | 52 ++++++++++++++++++++++---------
 2 files changed, 75 insertions(+), 26 deletions(-)

diff --git a/openmc/deplete/openmc_operator.py b/openmc/deplete/openmc_operator.py
index 0a64c6fee..2f1b93294 100644
--- a/openmc/deplete/openmc_operator.py
+++ b/openmc/deplete/openmc_operator.py
@@ -43,6 +43,7 @@ def _distribute(items):
             return items[j:j + chunk_size]
         j += chunk_size
 
+
 class OpenMCOperator(TransportOperator):
     """Abstrct class holding OpenMC-specific functions for running
     depletion calculations.
@@ -136,12 +137,25 @@ class OpenMCOperator(TransportOperator):
         results are to be used.
     """
 
-    def __init__(self, materials=None, cross_sections=None, chain_file=None, prev_results=None, diff_burnable_mats=False, normalization_mode=None, fission_q=None, dilute_initial=0.0, fission_yield_mode=None, fission_yield_opts=None,
-                 reaction_rate_mode=None, reaction_rate_opts=None,
-                 reduce_chain=False, reduce_chain_level=None):
+    def __init__(
+            self,
+            materials=None,
+            cross_sections=None,
+            chain_file=None,
+            prev_results=None,
+            diff_burnable_mats=False,
+            normalization_mode=None,
+            fission_q=None,
+            dilute_initial=0.0,
+            fission_yield_mode=None,
+            fission_yield_opts=None,
+            reaction_rate_mode=None,
+            reaction_rate_opts=None,
+            reduce_chain=False,
+            reduce_chain_level=None):
 
         super().__init__(chain_file, fission_q, dilute_initial, prev_results)
-        self.round_number=False
+        self.round_number = False
         self.materials = materials
         self.cross_sections = cross_sections
 
@@ -172,8 +186,8 @@ class OpenMCOperator(TransportOperator):
         if self.prev_res is not None:
             self._load_previous_results()
 
-
-        self.nuclides_with_data = self._get_nuclides_with_data(self.cross_sections)
+        self.nuclides_with_data = self._get_nuclides_with_data(
+            self.cross_sections)
 
         # Select nuclides with data that are also in the chain
         self._burnable_nucs = [nuc.name for nuc in self.chain.nuclides
@@ -189,7 +203,12 @@ class OpenMCOperator(TransportOperator):
         self.reaction_rates = ReactionRates(
             self.local_mats, self._burnable_nucs, self.chain.reactions)
 
-        self._get_helper_classes(reaction_rate_mode, normalization_mode, fission_yield_mode, reaction_rate_opts, fission_yield_opts)
+        self._get_helper_classes(
+            reaction_rate_mode,
+            normalization_mode,
+            fission_yield_mode,
+            reaction_rate_opts,
+            fission_yield_opts)
 
     @abstractmethod
     def _differentiate_burnable_mats(self):
@@ -244,7 +263,6 @@ class OpenMCOperator(TransportOperator):
 
         return burnable_mats, volume, nuclides
 
-
     @abstractmethod
     def _load_previous_results(self):
         """Load reuslts from a previous depletion simulation"""
@@ -268,11 +286,14 @@ class OpenMCOperator(TransportOperator):
             Results from a previous depletion calculation
 
         """
-        self.number = AtomNumber(local_mats, all_nuclides, volume, len(self.chain))
+        self.number = AtomNumber(
+            local_mats, all_nuclides, volume, len(
+                self.chain))
 
         if self.dilute_initial != 0.0:
             for nuc in self._burnable_nucs:
-                self.number.set_atom_density(np.s_[:], nuc, self.dilute_initial)
+                self.number.set_atom_density(
+                    np.s_[:], nuc, self.dilute_initial)
 
         # Now extract and store the number densities
         # From the geometry if no previous depletion results
@@ -337,7 +358,13 @@ class OpenMCOperator(TransportOperator):
             self.number.set_atom_density(mat_id, nuclide, atom_per_cc)
 
     @abstractmethod
-    def _get_helper_classes(self, reaction_rate_mode, normalization_mode, fission_yield_mode, reaction_rate_opts, fission_yield_opts):
+    def _get_helper_classes(
+            self,
+            reaction_rate_mode,
+            normalization_mode,
+            fission_yield_mode,
+            reaction_rate_opts,
+            fission_yield_opts):
         """Create the ``_rate_helper``, ``_normalization_helper``, and
         ``_yield_helper`` objects.
 
diff --git a/openmc/deplete/operator.py b/openmc/deplete/operator.py
index 30563623c..7149cddad 100644
--- a/openmc/deplete/operator.py
+++ b/openmc/deplete/operator.py
@@ -32,6 +32,7 @@ from .helpers import (
 
 __all__ = ["Operator", "OperatorResult"]
 
+
 def _find_cross_sections(model):
     """Determine cross sections to use for depletion"""
     if model.materials and model.materials.cross_sections is not None:
@@ -219,12 +220,21 @@ class Operator(OpenMCOperator):
 
         self.cleanup_when_done = True
 
-        super().__init__(model.materials, cross_sections, chain_file, prev_results,
-                 diff_burnable_mats, normalization_mode,
-                 fission_q, dilute_initial,
-                 fission_yield_mode, fission_yield_opts,
-                 reaction_rate_mode, reaction_rate_opts,
-                 reduce_chain, reduce_chain_level)
+        super().__init__(
+            model.materials,
+            cross_sections,
+            chain_file,
+            prev_results,
+            diff_burnable_mats,
+            normalization_mode,
+            fission_q,
+            dilute_initial,
+            fission_yield_mode,
+            fission_yield_opts,
+            reaction_rate_mode,
+            reaction_rate_opts,
+            reduce_chain,
+            reduce_chain_level)
 
     def _differentiate_burnable_mats(self):
         """Assign distribmats for each burnable material"""
@@ -240,7 +250,7 @@ class Operator(OpenMCOperator):
         for mat in distribmats:
             if mat.volume is None:
                 raise RuntimeError("Volume not specified for depletable "
-                                    "material with ID={}.".format(mat.id))
+                                   "material with ID={}.".format(mat.id))
             mat.volume /= mat.num_instances
 
         if distribmats:
@@ -252,8 +262,8 @@ class Operator(OpenMCOperator):
                                  for i in range(cell.num_instances)]
 
         self.materials = openmc.Materials(
-                model.geometry.get_all_materials().values()
-            )
+            model.geometry.get_all_materials().values()
+        )
 
     def _load_previous_results(self):
         """Load results from a previous depletion simulation"""
@@ -285,8 +295,13 @@ class Operator(OpenMCOperator):
 
         return nuclides
 
-    def _get_helper_classes(self, reaction_rate_mode, normalization_mode, fission_yield_mode,
-                            reaction_rate_opts, fission_yield_opts):
+    def _get_helper_classes(
+            self,
+            reaction_rate_mode,
+            normalization_mode,
+            fission_yield_mode,
+            reaction_rate_opts,
+            fission_yield_opts):
         """Create the ``_rate_helper``, ``_normalization_helper``, and
         ``_yield_helper`` objects.
 
@@ -459,17 +474,24 @@ class Operator(OpenMCOperator):
                             densities.append(val)
                         else:
                             # Only output warnings if values are significantly
-                            # negative. CRAM does not guarantee positive values.
+                            # negative. CRAM does not guarantee positive
+                            # values.
                             if val < -1.0e-21:
-                                print("WARNING: nuclide ", nuc, " in material ", mat,
-                                      " is negative (density = ", val, " at/barn-cm)")
+                                print(
+                                    "WARNING: nuclide ",
+                                    nuc,
+                                    " in material ",
+                                    mat,
+                                    " is negative (density = ",
+                                    val,
+                                    " at/barn-cm)")
                             number_i[mat, nuc] = 0.0
 
                 # Update densities on C API side
                 mat_internal = openmc.lib.materials[int(mat)]
                 mat_internal.set_densities(nuclides, densities)
 
-                #TODO Update densities on the Python side, otherwise the
+                # TODO Update densities on the Python side, otherwise the
                 # summary.h5 file contains densities at the first time step
 
     @staticmethod

From 39472e286c34f01e1379c457beacf9dc84cd3abc Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Thu, 14 Jul 2022 12:56:19 -0500
Subject: [PATCH 0585/2654] add OpenMCOperator to docs, fix referecne to
 TalliedFissionYieldHelper

---
 docs/source/pythonapi/deplete.rst | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/docs/source/pythonapi/deplete.rst b/docs/source/pythonapi/deplete.rst
index 9f7d8c447..11062cd87 100644
--- a/docs/source/pythonapi/deplete.rst
+++ b/docs/source/pythonapi/deplete.rst
@@ -204,6 +204,7 @@ prior to depleting materials
    :template: mycallable.rst
 
    abc.TransportOperator
+   openmc_operator.OpenMCOperator
 
 The following classes are abstract classes used to pass information from
 OpenMC simulations back on to the :class:`abc.TransportOperator`
@@ -216,7 +217,7 @@ OpenMC simulations back on to the :class:`abc.TransportOperator`
    abc.NormalizationHelper
    abc.FissionYieldHelper
    abc.ReactionRateHelper
-   abc.TalliedFissionYieldHelper
+   helpers.TalliedFissionYieldHelper
 
 Custom integrators or depletion solvers can be developed by subclassing from
 the following abstract base classes:

From 47344ca5cb18441e59910c734e2a7c5a88f6e7d1 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Thu, 14 Jul 2022 14:22:33 -0500
Subject: [PATCH 0586/2654] spell checker typo fixes

---
 openmc/deplete/openmc_operator.py | 8 ++++----
 openmc/deplete/operator.py        | 2 +-
 2 files changed, 5 insertions(+), 5 deletions(-)

diff --git a/openmc/deplete/openmc_operator.py b/openmc/deplete/openmc_operator.py
index 2f1b93294..6b7ff2920 100644
--- a/openmc/deplete/openmc_operator.py
+++ b/openmc/deplete/openmc_operator.py
@@ -45,10 +45,10 @@ def _distribute(items):
 
 
 class OpenMCOperator(TransportOperator):
-    """Abstrct class holding OpenMC-specific functions for running
+    """Abstract class holding OpenMC-specific functions for running
     depletion calculations.
 
-    Specific classes for running couples transport-depleton calculations or
+    Specific classes for running coupled transport-depletion calculations or
     depletion-only calculations are implemented as subclasses of OpenMCOperator
 
     Parameters
@@ -265,7 +265,7 @@ class OpenMCOperator(TransportOperator):
 
     @abstractmethod
     def _load_previous_results(self):
-        """Load reuslts from a previous depletion simulation"""
+        """Load results from a previous depletion simulation"""
 
     @abstractmethod
     def _get_nuclides_with_data(self, cross_sections):
@@ -375,7 +375,7 @@ class OpenMCOperator(TransportOperator):
             instantiate.
         normalization_mode : str
             Indicates the subclass of :class:`NormalizationHelper` to
-            instatiate.
+            instantiate.
         fission_yield_mode : str
             Indicates the subclass of :class:`FissionYieldHelper` to instatiate.
         reaction_rate_opts : dict
diff --git a/openmc/deplete/operator.py b/openmc/deplete/operator.py
index 7149cddad..a86eb182f 100644
--- a/openmc/deplete/operator.py
+++ b/openmc/deplete/operator.py
@@ -314,7 +314,7 @@ class Operator(OpenMCOperator):
             Indicates the subclass of :class:`NormalizationHelper` to
             instatiate.
         fission_yield_mode : str
-            Indicates the subclass of :class:`FissionYieldHelper` to instatiate.
+            Indicates the subclass of :class:`FissionYieldHelper` to instantiate.
         reaction_rate_opts : dict
             Keyword arguments that are passed to the :class:`ReactionRateHelper`
             subclass.

From 7b041114209c6073793ad8c33d87db7e07afda6b Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Thu, 14 Jul 2022 14:23:11 -0500
Subject: [PATCH 0587/2654] add small blurb about OpenMCOperator; move
 TalliedFissionYieldHelper to different section

---
 docs/source/pythonapi/deplete.rst | 13 +++++++++++--
 1 file changed, 11 insertions(+), 2 deletions(-)

diff --git a/docs/source/pythonapi/deplete.rst b/docs/source/pythonapi/deplete.rst
index 11062cd87..d09a665d8 100644
--- a/docs/source/pythonapi/deplete.rst
+++ b/docs/source/pythonapi/deplete.rst
@@ -188,6 +188,7 @@ total system energy.
    helpers.EnergyScoreHelper
    helpers.FissionYieldCutoffHelper
    helpers.FluxCollapseHelper
+   helpers.TalliedFissionYieldHelper
 
 Abstract Base Classes
 ---------------------
@@ -204,7 +205,16 @@ prior to depleting materials
    :template: mycallable.rst
 
    abc.TransportOperator
-   openmc_operator.OpenMCOperator
+
+Methods common to OpenMC-specific implementations are stored in :class:`openmc_operator.OpenMCOperator`
+
+.. autosummary::
+   :toctree: generated
+   :nosignatures:
+   :template: mycallable.rst
+
+   abc.TransportOperator
+
 
 The following classes are abstract classes used to pass information from
 OpenMC simulations back on to the :class:`abc.TransportOperator`
@@ -217,7 +227,6 @@ OpenMC simulations back on to the :class:`abc.TransportOperator`
    abc.NormalizationHelper
    abc.FissionYieldHelper
    abc.ReactionRateHelper
-   helpers.TalliedFissionYieldHelper
 
 Custom integrators or depletion solvers can be developed by subclassing from
 the following abstract base classes:

From 80fbcdcdf380e583c346d140f0fa8724b526cfa9 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Thu, 14 Jul 2022 15:14:35 -0500
Subject: [PATCH 0588/2654] move intermediate classes to their own section in
 the api docs

---
 docs/source/pythonapi/deplete.rst | 38 +++++++++++++++++++++++--------
 1 file changed, 28 insertions(+), 10 deletions(-)

diff --git a/docs/source/pythonapi/deplete.rst b/docs/source/pythonapi/deplete.rst
index d09a665d8..e275f38f2 100644
--- a/docs/source/pythonapi/deplete.rst
+++ b/docs/source/pythonapi/deplete.rst
@@ -188,8 +188,36 @@ total system energy.
    helpers.EnergyScoreHelper
    helpers.FissionYieldCutoffHelper
    helpers.FluxCollapseHelper
+
+
+Intermediate Classes
+--------------------
+
+Specific implementations of abstract base classes may utilize some of
+the same methods and data structures. These methods and data are stored 
+in intermediate classes.
+
+Methods common to tally-based implementation of :class:`FissionYieldHelper`
+are stored in :class:`helpers.TalliedFissionYieldHelper`
+
+.. autosummary::
+   :toctree: generated
+   :nosignatures:
+   :template: myclass.rst
+
    helpers.TalliedFissionYieldHelper
 
+Methods common to OpenMC-specific implementations of :class:`TransportOperator`
+are stored in :class:`openmc_operator.OpenMCOperator`
+
+.. autosummary::
+   :toctree: generated
+   :nosignatures:
+   :template: mycallable.rst
+
+   openmc_operator.OpenMCOperator
+
+
 Abstract Base Classes
 ---------------------
 
@@ -206,16 +234,6 @@ prior to depleting materials
 
    abc.TransportOperator
 
-Methods common to OpenMC-specific implementations are stored in :class:`openmc_operator.OpenMCOperator`
-
-.. autosummary::
-   :toctree: generated
-   :nosignatures:
-   :template: mycallable.rst
-
-   abc.TransportOperator
-
-
 The following classes are abstract classes used to pass information from
 OpenMC simulations back on to the :class:`abc.TransportOperator`
 

From 86caa75df49e63f4091ec6ac4423c8fe1dbc97a6 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Thu, 14 Jul 2022 16:30:36 -0500
Subject: [PATCH 0589/2654] Add an alternate constructor using an openmc Model
 instance

---
 openmc/deplete/flux_operator.py | 9 ++++++++-
 1 file changed, 8 insertions(+), 1 deletion(-)

diff --git a/openmc/deplete/flux_operator.py b/openmc/deplete/flux_operator.py
index 5e23ec203..014770551 100644
--- a/openmc/deplete/flux_operator.py
+++ b/openmc/deplete/flux_operator.py
@@ -105,6 +105,13 @@ class FluxDepletionOperator(TransportOperator):
         results are to be used.
     """
 
+    # Alternate constructor using a full-fledges Model object
+    #def __init__(self, model, micro_xs, ...):
+    #    ...
+    #    mode.materials = openmc.Materials(model.geometry.get_all_materials().values())
+    #    super().__init__(model.materials, ...)
+
+
     def __init__(self,
                  volume,
                  nuclides,
@@ -131,7 +138,7 @@ class FluxDepletionOperator(TransportOperator):
         materials = self._consolidate_nuclides_to_material(nuclides, volume)
 
         diff_burnable_mats=False
-        # super().__init__(materials, diff_burnable_mats, chain_file, fission_q, dilute_initial, prev_results, helper_class_kwargs)
+        # super().__init__(materials, cross_sections, diff_burnable_mats, chain_file, fission_q, dilute_initial, prev_results, helper_class_kwargs)
 
 
         ## this part goes to OpenMCOperator

From 8bf4465b27ac32b2e1a7d152e93276620541d39d Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Thu, 14 Jul 2022 16:50:05 -0500
Subject: [PATCH 0590/2654] docstring updates

---
 openmc/deplete/openmc_operator.py | 49 +++++++++++++++++++++----------
 openmc/deplete/operator.py        | 25 ++++++++++++++--
 2 files changed, 56 insertions(+), 18 deletions(-)

diff --git a/openmc/deplete/openmc_operator.py b/openmc/deplete/openmc_operator.py
index 6b7ff2920..047a7f967 100644
--- a/openmc/deplete/openmc_operator.py
+++ b/openmc/deplete/openmc_operator.py
@@ -53,6 +53,11 @@ class OpenMCOperator(TransportOperator):
 
     Parameters
     ----------
+    materials : openmc.Materials
+        List of all materials in the model
+    cross_sections : str or pandas.DataFrame
+        Path to continuous energy cross section library, or object containing
+        one-group cross-sections.
     chain_file : str, optional
         Path to the depletion chain XML file.  Defaults to the file
         listed under ``depletion_chain`` in
@@ -68,9 +73,7 @@ class OpenMCOperator(TransportOperator):
     normalization_mode : str
         Indicate how reaction rates should be normalized.
     fission_q : dict, optional
-        Dictionary of nuclides and their fission Q values [eV]. If not given,
-        values will be pulled from the ``chain_file``. Only applicable
-        if ``"normalization_mode" == "fission-q"``
+        Dictionary of nuclides and their fission Q values [eV].
     dilute_initial : float, optional
         Initial atom density [atoms/cm^3] to add for nuclides that are zero
         in initial condition to ensure they exist in the decay chain.
@@ -90,25 +93,16 @@ class OpenMCOperator(TransportOperator):
     reduce_chain : bool, optional
         If True, use :meth:`openmc.deplete.Chain.reduce` to reduce the
         depletion chain up to ``reduce_chain_level``. Default is False.
-
-        .. versionadded:: 0.12
     reduce_chain_level : int, optional
         Depth of the search when reducing the depletion chain. Only used
         if ``reduce_chain`` evaluates to true. The default value of
         ``None`` implies no limit on the depth.
 
-        .. versionadded:: 0.12
-
-
 
     Attributes
     ----------
-    model : openmc.model.Model
-        OpenMC model object
-    geometry : openmc.Geometry
-        OpenMC geometry object
-    settings : openmc.Settings
-        OpenMC settings object
+    materials : openmc.Materials
+        All materials present in the model
     dilute_initial : float
         Initial atom density [atoms/cm^3] to add for nuclides that
         are zero in initial condition to ensure they exist in the decay
@@ -135,6 +129,7 @@ class OpenMCOperator(TransportOperator):
     prev_res : Results or None
         Results from a previous depletion calculation. ``None`` if no
         results are to be used.
+
     """
 
     def __init__(
@@ -269,7 +264,20 @@ class OpenMCOperator(TransportOperator):
 
     @abstractmethod
     def _get_nuclides_with_data(self, cross_sections):
-        """Find nuclides with cross section data"""
+        """Find nuclides with cross section data
+
+        Parameters
+        ----------
+        cross_sections : str or pandas.DataFrame
+            Path to continuous energy cross section library, or object
+            containing one-group cross-sections.
+
+        Returns
+        -------
+        nuclides : set of str
+            Set of nuclide names that have cross secton data
+
+        """
 
     def _extract_number(self, local_mats, volume, all_nuclides, prev_res=None):
         """Construct AtomNumber using geometry
@@ -399,6 +407,7 @@ class OpenMCOperator(TransportOperator):
         -------
         list of numpy.ndarray
             Total density for initial conditions.
+
         """
 
         self._rate_helper.generate_tallies(materials, self.chain.reactions)
@@ -414,7 +423,15 @@ class OpenMCOperator(TransportOperator):
 
     def _update_materials_and_nuclides(self, vec):
         """Update the number density, material compositions, and nuclide
-        lists in helper objects"""
+        lists in helper objects
+
+        Parameters
+        ----------
+        vec : list of numpy.ndarray
+            Total atoms.
+
+        """
+
         # Update the number densities regardless of the source rate
         self.number.set_density(vec)
         self._update_materials()
diff --git a/openmc/deplete/operator.py b/openmc/deplete/operator.py
index a86eb182f..d8b84f5a0 100644
--- a/openmc/deplete/operator.py
+++ b/openmc/deplete/operator.py
@@ -34,7 +34,14 @@ __all__ = ["Operator", "OperatorResult"]
 
 
 def _find_cross_sections(model):
-    """Determine cross sections to use for depletion"""
+    """Determine cross sections to use for depletion
+
+    Parameters
+    ----------
+    model : openmc.model.Model
+        Reactor model
+
+    """
     if model.materials and model.materials.cross_sections is not None:
         # Prefer info from Model class if available
         return model.materials.cross_sections
@@ -283,7 +290,19 @@ class Operator(OpenMCOperator):
                 self.prev_res.append(new_res)
 
     def _get_nuclides_with_data(self, cross_sections):
-        """Loads cross_sections.xml file to find nuclides with neutron data"""
+        """Loads cross_sections.xml file to find nuclides with neutron data
+
+        Parameters
+        ----------
+        cross_sections : str
+            Path to cross_sections.xml file
+
+        Returns
+        -------
+        nuclides : set of str
+            Set of nuclide names that have cross secton data
+
+        """
         nuclides = set()
         data_lib = DataLibrary.from_xml(cross_sections)
         for library in data_lib.libraries:
@@ -368,6 +387,7 @@ class Operator(OpenMCOperator):
         -------
         list of numpy.ndarray
             Total density for initial conditions.
+
         """
 
         # Create XML files
@@ -502,6 +522,7 @@ class Operator(OpenMCOperator):
         ----------
         step : int
             Current depletion step including restarts
+
         """
         openmc.lib.statepoint_write(
             "openmc_simulation_n{}.h5".format(step),

From a5f15aec57334c7160642395149812e296a059a3 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Thu, 14 Jul 2022 17:55:18 -0500
Subject: [PATCH 0591/2654] rearrange functions; move FluxTimesXSHelper to be
 inner class of FluxDepletionOperator We move FluxTimesXSHelper to be an inner
 class of FluxDepletionOperator so we can avoid needing to copy the number and
 cross_sections attributes.

---
 openmc/deplete/flux_operator.py | 580 ++++++++++++++++++--------------
 openmc/deplete/helpers.py       |  93 +----
 2 files changed, 330 insertions(+), 343 deletions(-)

diff --git a/openmc/deplete/flux_operator.py b/openmc/deplete/flux_operator.py
index 014770551..eaa59cbde 100644
--- a/openmc/deplete/flux_operator.py
+++ b/openmc/deplete/flux_operator.py
@@ -8,6 +8,7 @@ and one-group cross sections.
 import copy
 from collections import OrderedDict
 from warnings import warn
+from itertools import product
 
 import numpy as np
 import pandas as pd
@@ -16,15 +17,16 @@ from uncertainties import ufloat
 import openmc
 from openmc.checkvalue import check_type, check_value, check_iterable_type
 from openmc.mpi import comm
-from .abc import TransportOperator, OperatorResult
+from .abc import TransportOperator, ReactionRateHelper, OperatorResult
 from .atom_number import AtomNumber
 from .chain import REACTIONS
 from .reaction_rates import ReactionRates
-from .helpers import ConstantFissionYieldHelper, SourceRateHelper, FluxTimesXSHelper
+from .helpers import ConstantFissionYieldHelper, SourceRateHelper
 
 valid_rxns = list(REACTIONS)
 valid_rxns.append('fission')
 
+## delete
 def _distribute(items):
     """Distribute items across MPI communicator
     Parameters
@@ -138,10 +140,23 @@ class FluxDepletionOperator(TransportOperator):
         materials = self._consolidate_nuclides_to_material(nuclides, volume)
 
         diff_burnable_mats=False
-        # super().__init__(materials, cross_sections, diff_burnable_mats, chain_file, fission_q, dilute_initial, prev_results, helper_class_kwargs)
+        #super().__init__(
+        #    materials,
+        #    cross_sections,
+        #    chain_file,
+        #    prev_results,
+        #    diff_burnable_mats,
+        #    normalization_mode,
+        #    None,
+        #    0.0,
+        #    None,
+        #    fission_yield_opts,
+        #    None,
+        #    None,
+        #    reduce_chain,
+        #    reduce_chain_level)
 
-
-        ## this part goes to OpenMCOperator
+        ##delete till end of function
         super().__init__(chain_file, fission_q, 0.0, prev_results)
         self.round_number = False
         self.materials = materials
@@ -195,6 +210,219 @@ class FluxDepletionOperator(TransportOperator):
 
         self._get_helper_classes(None, fission_yield_opts)
 
+    def _consolidate_nuclides_to_material(self, nuclides, volume):
+        """Puts nuclide list into an openmc.Materials object.
+
+        """
+        openmc.reset_auto_ids()
+        mat = openmc.Material()
+        for nuc, conc in nuclides.items():
+            mat.add_nuclide(nuc, conc / 1e24) #convert to at/b-cm
+
+        mat.volume = volume
+        mat.depleteable = True
+
+        return openmc.Materials([mat])
+
+    def _differentiate_burnable_materials():
+        """Assign distribmats for each burnable material"""
+        pass
+
+    ##delete
+    def _get_burnable_mats(self):
+        """Determine depletable materials, volumes, and nuclides
+        Returns
+        -------
+        burnable_mats : list of str
+            List of burnable material IDs
+        volume : OrderedDict of str to float
+            Volume of each material in [cm^3]
+        nuclides : list of str
+            Nuclides in order of how they'll appear in the simulation.
+        """
+
+        burnable_mats = set()
+        model_nuclides = set()
+        volume = OrderedDict()
+
+        self.heavy_metal = 0.0
+
+        # Iterate once through the geometry to get dictionaries
+        for mat in self.materials:
+            for nuclide in mat.get_nuclides():
+                model_nuclides.add(nuclide)
+            if mat.depletable:
+                burnable_mats.add(str(mat.id))
+                if mat.volume is None:
+                    raise RuntimeError("Volume not specified for depletable "
+                                       "material with ID={}.".format(mat.id))
+                volume[str(mat.id)] = mat.volume
+                self.heavy_metal += mat.fissionable_mass
+
+        # Make sure there are burnable materials
+        if not burnable_mats:
+            raise RuntimeError(
+                "No depletable materials were found in the model.")
+
+        # Sort the sets
+        burnable_mats = sorted(burnable_mats, key=int)
+        model_nuclides = sorted(model_nuclides)
+
+        # Construct a global nuclide dictionary, burned first
+        nuclides = list(self.chain.nuclide_dict)
+        for nuc in model_nuclides:
+            if nuc not in nuclides:
+                nuclides.append(nuc)
+
+        return burnable_mats, volume, nuclides
+
+    def _load_previous_results():
+        """Load in results from a previous depletion calculation."""
+        pass
+
+    def _get_nuclides_with_data(self, cross_sections):
+        """Finds nuclides with cross section data
+        """
+        return set(cross_sections.index)
+
+    ##delete
+    def _extract_number(self, local_mats, volume, nuclides, prev_res=None):
+        """Construct AtomNumber using geometry
+
+        Parameters
+        ----------
+        local_mats : list of str
+            Material IDs to be managed by this process
+        volume : OrderedDict of str to float
+            Volumes for the above materials in [cm^3]
+        nuclides : list of str
+            Nuclides to be used in the simulation.
+        prev_res : Results, optional
+            Results from a previous depletion calculation
+
+        """
+        self.number = AtomNumber(local_mats, nuclides, volume, len(self.chain))
+
+        if self.dilute_initial != 0.0:
+            for nuc in self._burnable_nucs:
+                self.number.set_atom_density(np.s_[:], nuc, self.dilute_initial)
+
+        # Now extract and store the number densities
+        # From the geometry if no previous depletion results
+        if prev_res is None:
+            for mat in self.materials:
+                if str(mat.id) in local_mats:
+                    self._set_number_from_mat(mat)
+        # Else from previous depletion results
+        else:
+            raise RuntimeError(
+                "Loading from previous results not yet supported")
+
+    ##delete
+    def _set_number_from_mat(self, mat):
+        """Extracts material and number densities from openmc.Material
+        Parameters
+        ----------
+        mat : openmc.Material
+            The material to read from
+        """
+        mat_id = str(mat.id)
+
+        for nuclide, atom_per_bcm in mat.get_nuclide_atom_densities().items():
+            atom_per_cc = atom_per_bcm * 1.0e24
+            self.number.set_atom_density(mat_id, nuclide, atom_per_cc)
+
+    class FluxTimesXSHelper(ReactionRateHelper):
+        """Class for generating one-group reaction rates with flux and
+        one-group cross sections.
+
+        This class does not generate tallies, and instead stores cross sections
+        for each nuclide and transmutation reaction relevant for a depletion
+        calculation. The reaction rate is calculated by multiplying the flux by the
+        cross sections.
+
+        Parameters
+        ----------
+        outer : openmc.deplete.FluxDepletionOperator
+            Reference to the object encapsulate FluxTimesXSHelper.
+            We pass this so we don't have to duplicate the ``number`` object.
+        n_nucs : int
+            Number of burnable nuclides tracked by :class:`openmc.deplete.Operator`
+        n_react : int
+            Number of reactions tracked by :class:`openmc.deplete.Operator`
+
+        Attributes
+        ----------
+        nuc_ind_map : dict of int to str
+            Dictionary mapping the nuclide index to nuclide name
+        rxn_ind_map : dict of int to str
+            Dictionary mapping reaction index to reaction name
+
+        """
+        def __init__(self, n_nuc, n_react, outer):
+            super().__init__(n_nuc, n_react)
+            self.outer = outer
+            self.nuc_ind_map = None
+            self.rxn_ind_map = None
+
+        def generate_tallies(self, materials, scores):
+            """Unused in this case"""
+
+        def get_material_rates(self, mat_id, nuc_index, react_index):
+            """Return 2D array of [nuclide, reaction] reaction rates
+
+            Parameters
+            ----------
+            mat_id : int
+                Unique ID for the requested material
+            nuc_index : list of str
+                Ordering of desired nuclides
+            react_index : list of str
+                Ordering of reactions
+            """
+            self._results_cache.fill(0.0)
+            for i, (i_nuc, i_react) in enumerate(product(nuc_index, react_index)):
+                nuc = self.nuc_ind_map[i_nuc]
+                rxn = self.rxn_ind_map[i_react]
+                density = self.outer.number.get_atom_density(mat_id, nuc)
+                self._results_cache[i_nuc, i_react] = self.outer.cross_sections[rxn][nuc] * density
+
+            return self._results_cache
+
+    def _get_helper_classes(self, reaction_rate_opts, fission_yield_opts):
+        """Get helper classes for calculating reation rates and fission yields"""
+        rates = self.reaction_rates
+        # Get classes to assit working with tallies
+        nuc_ind_map = {ind: nuc for nuc, ind in rates.index_nuc.items()}
+        rxn_ind_map = {ind: rxn for rxn, ind in rates.index_rx.items()}
+
+        self._rate_helper = self.FluxTimesXSHelper(self.reaction_rates.n_nuc, self.reaction_rates.n_react, self)
+        self._rate_helper.nuc_ind_map = nuc_ind_map
+        self._rate_helper.rxn_ind_map = rxn_ind_map
+
+        self._normalization_helper = SourceRateHelper()
+
+        # Select and create fission yield helper
+        fission_helper = ConstantFissionYieldHelper
+        fission_yield_opts = (
+            {} if fission_yield_opts is None else fission_yield_opts)
+        self._yield_helper = fission_helper.from_operator(
+            self, **fission_yield_opts)
+
+    def initial_condition(self):
+        """Performs final setup and returns initial condition.
+
+        Returns
+        -------
+        list of numpy.ndarray
+            Total density for initial conditions.
+        """
+
+        # Return number density vector
+        #return super().initial_condition()
+        ##delete
+        return list(self.number.get_mat_slice(np.s_[:]))
+
     def __call__(self, vec, source_rate):
         """Obtain the reaction rates
 
@@ -212,6 +440,17 @@ class FluxDepletionOperator(TransportOperator):
 
         """
 
+        self._update_materials_and_nuclides(vec)
+
+        # Use the flux spectra as a "source rate"
+        rates = self._calculate_reaction_rates(self.flux_spectra)
+        keff = self._keff
+
+        op_result = OperatorResult(keff, rates)
+        return copy.deepcopy(op_result)
+
+    ##delete
+    def _update_materials_and_nuclides(self, vec):
         # Update the number densities regardless of the source rate
         self.number.set_density(vec)
         self._update_materials()
@@ -222,13 +461,92 @@ class FluxDepletionOperator(TransportOperator):
         self._normalization_helper.nuclides = rxn_nuclides
         self._yield_helper.update_tally_nuclides(rxn_nuclides)
 
-        # Use the flux spectra as a "source rate"
-        rates = self._calculate_reaction_rates(self.flux_spectra)
-        keff = self._keff
+    def _update_materials(self):
+        """Updates material compositions in OpenMC on all processes."""
 
-        op_result = OperatorResult(keff, rates)
-        return copy.deepcopy(op_result)
+        for rank in range(comm.size):
+            number_i = comm.bcast(self.number, root=rank)
 
+            for mat in number_i.materials:
+                nuclides = []
+                densities = []
+                for nuc in number_i.nuclides:
+                    if nuc in self.nuclides_with_data:
+                        val = 1.0e-24 * number_i.get_atom_density(mat, nuc)
+
+                        # If nuclide is zero, do not add to the problem.
+                        if val > 0.0:
+                            if self.round_number:
+                                val_magnitude = np.floor(np.log10(val))
+                                val_scaled = val / 10**val_magnitude
+                                val_round = round(val_scaled, 8)
+
+                                val = val_round * 10**val_magnitude
+
+                            nuclides.append(nuc)
+                            densities.append(val)
+                        else:
+                            # Only output warnings if values are significantly
+                            # negative. CRAM does not guarantee positive
+                            # values.
+                            if val < -1.0e-21:
+                                print(
+                                    "WARNING: nuclide ",
+                                    nuc,
+                                    " in material ",
+                                    mat,
+                                    " is negative (density = ",
+                                    val,
+                                    " at/barn-cm)")
+                            number_i[mat, nuc] = 0.0
+
+                # TODO Update densities on the Python side, otherwise the
+                # summary.h5 file contains densities at the first time step
+    ##delete
+    def _get_reaction_nuclides(self):
+        """Determine nuclides that should have reaction rates
+
+        This method returns a list of all nuclides that have neutron data and
+        are listed in the depletion chain. Technically, we should list nuclides
+        that may not appear in the depletion chain because we still need to get
+        the fission reaction rate for these nuclides in order to normalize
+        power, but that is left as a future exercise.
+
+        Returns
+        -------
+        list of str
+            nuclides with reaction rates
+
+        """
+        # Create the set of all nuclides in the decay chain in materials marked
+        # for burning in which the number density is greater than zero.
+        nuc_set = set()
+
+        for nuc in self.number.nuclides:
+            if nuc in self.nuclides_with_data:
+                if np.sum(self.number[:,nuc]) > 0.0:
+                    nuc_set.add(nuc)
+
+        # Communicate which nuclides have nonzeros to rank 0
+        if comm.rank == 0:
+            for i in range(1, comm.size):
+                nuc_newset = comm.recv(source=i, tag=i)
+                nuc_set |= nuc_newset
+        else:
+            comm.send(nuc_set, dest=0, tag=comm.rank)
+
+        if comm.rank == 0:
+            # Sort nuclides in the same order as self.number
+            nuc_list = [nuc for nuc in self.number.nuclides
+                        if nuc in nuc_set]
+        else:
+            nuc_list = None
+
+        # Store list of tally nuclides on each process
+        nuc_list = comm.bcast(nuc_list)
+        return [nuc for nuc in nuc_list if nuc in self.chain]
+
+    ##delete
     def _calculate_reaction_rates(self, source_rate):
 
         rates = self.reaction_rates
@@ -302,18 +620,6 @@ class FluxDepletionOperator(TransportOperator):
 
         return rates
 
-    def initial_condition(self):
-        """Performs final setup and returns initial condition.
-
-        Returns
-        -------
-        list of numpy.ndarray
-            Total density for initial conditions.
-        """
-
-        # Return number density vector
-        return list(self.number.get_mat_slice(np.s_[:]))
-
     def write_bos_data(self, step):
         """Document beginning of step data for a given step
 
@@ -328,6 +634,7 @@ class FluxDepletionOperator(TransportOperator):
         # Since we aren't running a transport simulation, we simply pass
         pass
 
+    ##delete
     def get_results_info(self):
         """Returns volume list, cell lists, and nuc lists.
 
@@ -436,233 +743,4 @@ class FluxDepletionOperator(TransportOperator):
             check_value('reactions', reaction, valid_rxns)
 
 
-    def _update_materials(self):
-        """Updates material compositions in OpenMC on all processes."""
 
-        for rank in range(comm.size):
-            number_i = comm.bcast(self.number, root=rank)
-
-            for mat in number_i.materials:
-                nuclides = []
-                densities = []
-                for nuc in number_i.nuclides:
-                    if nuc in self.nuclides_with_data:
-                        val = 1.0e-24 * number_i.get_atom_density(mat, nuc)
-
-                        # If nuclide is zero, do not add to the problem.
-                        if val > 0.0:
-                            if self.round_number:
-                                val_magnitude = np.floor(np.log10(val))
-                                val_scaled = val / 10**val_magnitude
-                                val_round = round(val_scaled, 8)
-
-                                val = val_round * 10**val_magnitude
-
-                            nuclides.append(nuc)
-                            densities.append(val)
-                        else:
-                            # Only output warnings if values are significantly
-                            # negative. CRAM does not guarantee positive
-                            # values.
-                            if val < -1.0e-21:
-                                print(
-                                    "WARNING: nuclide ",
-                                    nuc,
-                                    " in material ",
-                                    mat,
-                                    " is negative (density = ",
-                                    val,
-                                    " at/barn-cm)")
-                            number_i[mat, nuc] = 0.0
-
-                # TODO Update densities on the Python side, otherwise the
-                # summary.h5 file contains densities at the first time step
-
-    def _consolidate_nuclides_to_material(self, nuclides, volume):
-        """Puts nuclide list into an openmc.Materials object.
-
-        """
-        openmc.reset_auto_ids()
-        mat = openmc.Material()
-        for nuc, conc in nuclides.items():
-            mat.add_nuclide(nuc, conc / 1e24) #convert to at/b-cm
-
-        mat.volume = volume
-        mat.depleteable = True
-
-        return openmc.Materials([mat])
-
-    def _get_helper_classes(self, reaction_rate_opts, fission_yield_opts):
-        """Get helper classes for calculating reation rates and fission yields"""
-        rates = self.reaction_rates
-        # Get classes to assit working with tallies
-        nuc_ind_map = {ind: nuc for nuc, ind in rates.index_nuc.items()}
-        rxn_ind_map = {ind: rxn for rxn, ind in rates.index_rx.items()}
-
-
-        self._rate_helper = FluxTimesXSHelper(self.flux_spectra, self.cross_sections, self.reaction_rates.n_nuc, self.reaction_rates.n_react)
-
-        self._rate_helper.nuc_ind_map = nuc_ind_map
-        self._rate_helper.rxn_ind_map = rxn_ind_map
-        # We'll need to find a way to update number as time goes on.
-        # perhaps in this classes version of _update_materials()?
-        self._rate_helper.number = self.number
-
-        self._normalization_helper = SourceRateHelper()
-
-        # Select and create fission yield helper
-        fission_helper = ConstantFissionYieldHelper
-        fission_yield_opts = (
-            {} if fission_yield_opts is None else fission_yield_opts)
-        self._yield_helper = fission_helper.from_operator(
-            self, **fission_yield_opts)
-
-
-    def _load_previous_results():
-        """Load in results from a previous depletion calculation."""
-        pass
-
-    def _differentiate_burnable_materials():
-        """Assign distribmats for each burnable material"""
-        pass
-
-    def _get_reaction_nuclides(self):
-        """Determine nuclides that should have reaction rates
-
-        This method returns a list of all nuclides that have neutron data and
-        are listed in the depletion chain. Technically, we should list nuclides
-        that may not appear in the depletion chain because we still need to get
-        the fission reaction rate for these nuclides in order to normalize
-        power, but that is left as a future exercise.
-
-        Returns
-        -------
-        list of str
-            nuclides with reaction rates
-
-        """
-        # Create the set of all nuclides in the decay chain in materials marked
-        # for burning in which the number density is greater than zero.
-        nuc_set = set()
-
-        for nuc in self.number.nuclides:
-            if nuc in self.nuclides_with_data:
-                if np.sum(self.number[:,nuc]) > 0.0:
-                    nuc_set.add(nuc)
-
-        # Communicate which nuclides have nonzeros to rank 0
-        if comm.rank == 0:
-            for i in range(1, comm.size):
-                nuc_newset = comm.recv(source=i, tag=i)
-                nuc_set |= nuc_newset
-        else:
-            comm.send(nuc_set, dest=0, tag=comm.rank)
-
-        if comm.rank == 0:
-            # Sort nuclides in the same order as self.number
-            nuc_list = [nuc for nuc in self.number.nuclides
-                        if nuc in nuc_set]
-        else:
-            nuc_list = None
-
-        # Store list of tally nuclides on each process
-        nuc_list = comm.bcast(nuc_list)
-        return [nuc for nuc in nuc_list if nuc in self.chain]
-
-    def _get_burnable_mats(self):
-        """Determine depletable materials, volumes, and nuclides
-        Returns
-        -------
-        burnable_mats : list of str
-            List of burnable material IDs
-        volume : OrderedDict of str to float
-            Volume of each material in [cm^3]
-        nuclides : list of str
-            Nuclides in order of how they'll appear in the simulation.
-        """
-
-        burnable_mats = set()
-        model_nuclides = set()
-        volume = OrderedDict()
-
-        self.heavy_metal = 0.0
-
-        # Iterate once through the geometry to get dictionaries
-        for mat in self.materials:
-            for nuclide in mat.get_nuclides():
-                model_nuclides.add(nuclide)
-            if mat.depletable:
-                burnable_mats.add(str(mat.id))
-                if mat.volume is None:
-                    raise RuntimeError("Volume not specified for depletable "
-                                       "material with ID={}.".format(mat.id))
-                volume[str(mat.id)] = mat.volume
-                self.heavy_metal += mat.fissionable_mass
-
-        # Make sure there are burnable materials
-        if not burnable_mats:
-            raise RuntimeError(
-                "No depletable materials were found in the model.")
-
-        # Sort the sets
-        burnable_mats = sorted(burnable_mats, key=int)
-        model_nuclides = sorted(model_nuclides)
-
-        # Construct a global nuclide dictionary, burned first
-        nuclides = list(self.chain.nuclide_dict)
-        for nuc in model_nuclides:
-            if nuc not in nuclides:
-                nuclides.append(nuc)
-
-        return burnable_mats, volume, nuclides
-
-    def _get_nuclides_with_data(self, cross_sections):
-        """Finds nuclides with cross section data
-        """
-        return set(cross_sections.index)
-
-
-    def _extract_number(self, local_mats, volume, nuclides, prev_res=None):
-        """Construct AtomNumber using geometry
-
-        Parameters
-        ----------
-        local_mats : list of str
-            Material IDs to be managed by this process
-        volume : OrderedDict of str to float
-            Volumes for the above materials in [cm^3]
-        nuclides : list of str
-            Nuclides to be used in the simulation.
-        prev_res : Results, optional
-            Results from a previous depletion calculation
-
-        """
-        self.number = AtomNumber(local_mats, nuclides, volume, len(self.chain))
-
-        if self.dilute_initial != 0.0:
-            for nuc in self._burnable_nucs:
-                self.number.set_atom_density(np.s_[:], nuc, self.dilute_initial)
-
-        # Now extract and store the number densities
-        # From the geometry if no previous depletion results
-        if prev_res is None:
-            for mat in self.materials:
-                if str(mat.id) in local_mats:
-                    self._set_number_from_mat(mat)
-        # Else from previous depletion results
-        else:
-            raise RuntimeError(
-                "Loading from previous results not yet supported")
-
-    def _set_number_from_mat(self, mat):
-        """Extracts material and number densities from openmc.Material
-        Parameters
-        ----------
-        mat : openmc.Material
-            The material to read from
-        """
-        mat_id = str(mat.id)
-
-        for nuclide, atom_per_bcm in mat.get_nuclide_atom_densities().items():
-            atom_per_cc = atom_per_bcm * 1.0e24
-            self.number.set_atom_density(mat_id, nuclide, atom_per_cc)
diff --git a/openmc/deplete/helpers.py b/openmc/deplete/helpers.py
index 67a88fa16..33bd182d7 100644
--- a/openmc/deplete/helpers.py
+++ b/openmc/deplete/helpers.py
@@ -2,7 +2,6 @@
 Class for normalizing fission energy deposition
 """
 import bisect
-import pandas as pd
 from abc import abstractmethod
 from collections import defaultdict
 from copy import deepcopy
@@ -25,7 +24,7 @@ __all__ = (
     "DirectReactionRateHelper", "ChainFissionHelper", "EnergyScoreHelper"
     "SourceRateHelper", "TalliedFissionYieldHelper",
     "ConstantFissionYieldHelper", "FissionYieldCutoffHelper",
-    "AveragedFissionYieldHelper", "FluxCollapseHelper", "FluxTimesXSHelper")
+    "AveragedFissionYieldHelper", "FluxCollapseHelper")
 
 class TalliedFissionYieldHelper(FissionYieldHelper):
     """Abstract class for computing fission yields with tallies
@@ -125,96 +124,6 @@ class TalliedFissionYieldHelper(FissionYieldHelper):
 # -------------------------------------
 
 
-class FluxTimesXSHelper(ReactionRateHelper):
-    """Class for generating one-group reaction rates with flux and
-    one-group cross sections.
-
-    This class does not generate tallies, and instead stores cross sections
-    for each nuclide and transmutation reaction relevant for a depletion
-    calculation. The reaction rate is calculated by multiplying the flux by the
-    cross sections.
-
-    Parameters
-    ----------
-    flux : float
-        Neutron flux
-    micro_xs : pandas.DataFrame
-        Microscopic cross-section data
-    n_nucs : int
-        Number of burnable nuclides tracked by :class:`openmc.deplete.Operator`
-    n_react : int
-        Number of reactions tracked by :class:`openmc.deplete.Operator`
-
-    Attributes
-    ----------
-    nuc_ind_map : dict of int to str
-        Dictionary mapping the nuclide index to nuclide name
-    rxn_ind_map : dict of int to str
-        Dictionary mapping reaction index to reaction name
-    number : AtomNumber
-        AtomNumber object. Needed to convert the microscopic cross-sections
-        to macroscopic cross sections.
-
-    """
-    def __init__(self, flux, micro_xs, n_nuc, n_react):
-        super().__init__(n_nuc, n_react)
-        self._flux = flux
-        self._micro_xs = micro_xs
-        self.nuc_ind_map = None
-        self.rxn_ind_map = None
-        self.number = None
-
-    def generate_tallies(self, materials, scores):
-        """Unused in this case"""
-
-
-    @property
-    def flux(self):
-        """Flux in n cm^-2 s^-1"""
-        return self._flux
-
-    @flux.setter
-    def flux(self, flux):
-        check_type("flux", flux, float)
-        self._flux = flux
-
-    @property
-    def micro_xs(self):
-        """DataFrame of microscopic cross sections with requested reaction
-        for all nuclides"""
-        return self._micro_xs
-
-    @micro_xs.setter
-    def micro_xs(self, micro_xs):
-        # TODO : validate micro_xs
-        self._micro_xs = micro_xs
-
-    def get_material_rates(self, mat_id, nuc_index, react_index):
-        """Return 2D array of [nuclide, reaction] reaction rates
-
-        Parameters
-        ----------
-        mat_id : int
-            Unique ID for the requested material
-        nuc_index : list of str
-            Ordering of desired nuclides
-        react_index : list of str
-            Ordering of reactions
-        """
-        self._results_cache.fill(0.0)
-        for i, (i_nuc, i_react) in enumerate(product(nuc_index, react_index)):
-            nuc = self.nuc_ind_map[i_nuc]
-            rxn = self.rxn_ind_map[i_react]
-            density = self.number.get_atom_density(mat_id, nuc)
-            self._results_cache[i_nuc, i_react] = self._micro_xs[rxn][nuc] * density
-
-        return self._results_cache
-
-
-
-
-
-
 class DirectReactionRateHelper(ReactionRateHelper):
     """Class for generating one-group reaction rates with direct tallies
 

From 4d321bc98babefd1496150eb49b2406fa8325071 Mon Sep 17 00:00:00 2001
From: aprilnovak <novak@berkeley.edu>
Date: Mon, 22 Nov 2021 15:20:01 -0600
Subject: [PATCH 0592/2654] Replace centroid() with vertex_average(). Refs
 #1914

---
 cmake/Modules/FindLIBMESH.cmake | 4 ++--
 cmake/OpenMCConfig.cmake.in     | 2 +-
 src/mesh.cpp                    | 2 +-
 tools/ci/gha-install-libmesh.sh | 2 +-
 4 files changed, 5 insertions(+), 5 deletions(-)

diff --git a/cmake/Modules/FindLIBMESH.cmake b/cmake/Modules/FindLIBMESH.cmake
index 82d806343..df5b5b9d8 100644
--- a/cmake/Modules/FindLIBMESH.cmake
+++ b/cmake/Modules/FindLIBMESH.cmake
@@ -17,5 +17,5 @@ endif()
 include(FindPkgConfig)
 set(ENV{PKG_CONFIG_PATH} "$ENV{PKG_CONFIG_PATH}:${LIBMESH_PC}")
 set(PKG_CONFIG_USE_CMAKE_PREFIX_PATH True)
-pkg_check_modules(LIBMESH REQUIRED ${LIBMESH_PC_FILE}>=1.6.0 IMPORTED_TARGET)
-pkg_get_variable(LIBMESH_PREFIX ${LIBMESH_PC_FILE} prefix)
\ No newline at end of file
+pkg_check_modules(LIBMESH REQUIRED ${LIBMESH_PC_FILE}>=1.7.0 IMPORTED_TARGET)
+pkg_get_variable(LIBMESH_PREFIX ${LIBMESH_PC_FILE} prefix)
diff --git a/cmake/OpenMCConfig.cmake.in b/cmake/OpenMCConfig.cmake.in
index 3279e5ba8..d0e2beb82 100644
--- a/cmake/OpenMCConfig.cmake.in
+++ b/cmake/OpenMCConfig.cmake.in
@@ -13,7 +13,7 @@ if(@OPENMC_USE_LIBMESH@)
   include(FindPkgConfig)
   list(APPEND CMAKE_PREFIX_PATH @LIBMESH_PREFIX@)
   set(PKG_CONFIG_USE_CMAKE_PREFIX_PATH True)
-  pkg_check_modules(LIBMESH REQUIRED @LIBMESH_PC_FILE@>=1.6.0 IMPORTED_TARGET)
+  pkg_check_modules(LIBMESH REQUIRED @LIBMESH_PC_FILE@>=1.7.0 IMPORTED_TARGET)
 endif()
 
 find_package(PNG)
diff --git a/src/mesh.cpp b/src/mesh.cpp
index de29233fb..664036885 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -2393,7 +2393,7 @@ void LibMesh::initialize()
 Position LibMesh::centroid(int bin) const
 {
   const auto& elem = this->get_element_from_bin(bin);
-  auto centroid = elem.centroid();
+  auto centroid = elem.vertex_average();
   return {centroid(0), centroid(1), centroid(2)};
 }
 
diff --git a/tools/ci/gha-install-libmesh.sh b/tools/ci/gha-install-libmesh.sh
index 132963820..d592616ed 100755
--- a/tools/ci/gha-install-libmesh.sh
+++ b/tools/ci/gha-install-libmesh.sh
@@ -5,7 +5,7 @@ set -ex
 # libMESH install
 pushd $HOME
 mkdir LIBMESH && cd LIBMESH
-git clone https://github.com/libmesh/libmesh -b v1.6.0 --recurse-submodules
+git clone https://github.com/libmesh/libmesh -b v1.7.0 --recurse-submodules
 mkdir build && cd build
 export METHODS="opt"
 

From 953b35e742d4526b4bf4c5429d876f21506ec5c3 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 15 Jul 2022 07:21:08 -0500
Subject: [PATCH 0593/2654] Add openmc_sample_external_source function and
 Python binding

---
 openmc/lib/core.py | 39 ++++++++++++++++++++++++++++++++++++++-
 openmc/lib/math.py | 11 +++++------
 src/source.cpp     | 10 ++++++++++
 3 files changed, 53 insertions(+), 7 deletions(-)

diff --git a/openmc/lib/core.py b/openmc/lib/core.py
index de5f4adf2..3f4a301cd 100644
--- a/openmc/lib/core.py
+++ b/openmc/lib/core.py
@@ -1,8 +1,10 @@
 from contextlib import contextmanager
 from ctypes import (c_bool, c_int, c_int32, c_int64, c_double, c_char_p,
-                    c_char, POINTER, Structure, c_void_p, create_string_buffer)
+                    c_char, POINTER, Structure, c_void_p, create_string_buffer,
+                    c_uint64)
 import sys
 import os
+from random import getrandbits
 
 import numpy as np
 from numpy.ctypeslib import as_array
@@ -10,6 +12,7 @@ from numpy.ctypeslib import as_array
 from . import _dll
 from .error import _error_handler
 import openmc.lib
+import openmc
 
 
 class _SourceSite(Structure):
@@ -95,6 +98,9 @@ _dll.openmc_global_bounding_box.argtypes = [POINTER(c_double),
                                             POINTER(c_double)]
 _dll.openmc_global_bounding_box.restype = c_int
 _dll.openmc_global_bounding_box.errcheck = _error_handler
+_dll.openmc_sample_external_source.argtypes = [POINTER(c_uint64), POINTER(_SourceSite)]
+_dll.openmc_sample_external_source.restype = c_int
+_dll.openmc_sample_external_source.errcheck = _error_handler
 
 
 def global_bounding_box():
@@ -415,6 +421,37 @@ def run(output=True):
         _dll.openmc_run()
 
 
+def sample_external_source(prn_seed=None):
+    """Sample external source
+
+    .. versionadded:: 0.13.1
+
+    Parameters
+    ----------
+    prn_seed : int
+        PRNG seed; if None, one will be generated randomly
+
+    Returns
+    -------
+    openmc.SourceParticle
+        Sampled source particle
+
+    """
+    if prn_seed is None:
+        prn_seed = getrandbits(63)
+
+    # Call into C API to sample source
+    site = _SourceSite()
+    _dll.openmc_sample_external_source(c_uint64(prn_seed), site)
+
+    # Convert to SourceParticle and return
+    return openmc.SourceParticle(
+        r=site.r, u=site.u, E=site.E, time=site.time, wgt=site.wgt,
+        delayed_group=site.delayed_group, surf_id=site.surf_id,
+        particle=openmc.ParticleType(site.particle)
+    )
+
+
 def simulation_init():
     """Initialize simulation"""
     _dll.openmc_simulation_init()
diff --git a/openmc/lib/math.py b/openmc/lib/math.py
index bdb09b2d1..d70c20a9f 100644
--- a/openmc/lib/math.py
+++ b/openmc/lib/math.py
@@ -1,12 +1,11 @@
 from ctypes import c_int, c_double, POINTER, c_uint64
+from random import getrandbits
 
 import numpy as np
 from numpy.ctypeslib import ndpointer
 
 from . import _dll
 
-from random import getrandbits
-
 
 _dll.t_percentile.restype = c_double
 _dll.t_percentile.argtypes = [c_double, c_int]
@@ -240,10 +239,10 @@ def maxwell_spectrum(T, prn_seed=None):
         Sampled outgoing energy
 
     """
-    
+
     if prn_seed is None:
         prn_seed = getrandbits(63)
-	
+
     return _dll.maxwell_spectrum(T, c_uint64(prn_seed))
 
 
@@ -265,7 +264,7 @@ def watt_spectrum(a, b, prn_seed=None):
         Sampled outgoing energy
 
     """
-    
+
     if prn_seed is None:
         prn_seed = getrandbits(63)
 
@@ -290,7 +289,7 @@ def normal_variate(mean_value, std_dev, prn_seed=None):
         Sampled outgoing normally distributed value
 
     """
-    
+
     if prn_seed is None:
         prn_seed = getrandbits(63)
 
diff --git a/src/source.cpp b/src/source.cpp
index 11ede5fc4..8b634ec45 100644
--- a/src/source.cpp
+++ b/src/source.cpp
@@ -399,4 +399,14 @@ void free_memory_source()
   model::external_sources.clear();
 }
 
+//==============================================================================
+// C API
+//==============================================================================
+
+extern "C" int openmc_sample_external_source(uint64_t* seed, SourceSite* site)
+{
+  *site = sample_external_source(seed);
+  return 0;
+}
+
 } // namespace openmc

From 1ba696741412b17ac676cc2a0b4a78c606906d35 Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erik.knudsen@copenhagenatomics.com>
Date: Fri, 15 Jul 2022 21:35:59 +0200
Subject: [PATCH 0594/2654] fix typo

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 CMakeLists.txt | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 6af9643cd..be56f1c12 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -36,7 +36,7 @@ option(OPENMC_ENABLE_COVERAGE "Compile with coverage analysis flags"
 option(OPENMC_USE_DAGMC       "Enable support for DAGMC (CAD) geometry"              OFF)
 option(OPENMC_USE_LIBMESH     "Enable support for libMesh unstructured mesh tallies" OFF)
 option(OPENMC_USE_MPI         "Enable MPI"                                           OFF)
-option(OPENMC_USE_MCPL        "Enable MPCPL"                                         OFF)
+option(OPENMC_USE_MCPL        "Enable MCPL"                                          OFF)
 
 #===============================================================================
 # Set a default build configuration if not explicitly specified

From b1267f05448d80bce3069779f03de68749c44297 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 15 Jul 2022 13:23:07 -0500
Subject: [PATCH 0595/2654] Allow openmc_sample_external_source to produce
 multiple samples

---
 docs/source/pythonapi/capi.rst |  1 +
 include/openmc/capi.h          |  1 +
 openmc/lib/core.py             | 33 ++++++++++++++++++++-------------
 src/source.cpp                 | 13 +++++++++++--
 4 files changed, 33 insertions(+), 15 deletions(-)

diff --git a/docs/source/pythonapi/capi.rst b/docs/source/pythonapi/capi.rst
index 03be25abf..882e3c71b 100644
--- a/docs/source/pythonapi/capi.rst
+++ b/docs/source/pythonapi/capi.rst
@@ -29,6 +29,7 @@ Functions
    reset
    run
    run_in_memory
+   sample_external_source
    simulation_init
    simulation_finalize
    source_bank
diff --git a/include/openmc/capi.h b/include/openmc/capi.h
index 0929a11f7..69d3ff1f6 100644
--- a/include/openmc/capi.h
+++ b/include/openmc/capi.h
@@ -121,6 +121,7 @@ int openmc_regular_mesh_set_params(int32_t index, int n, const double* ll,
 int openmc_reset();
 int openmc_reset_timers();
 int openmc_run();
+int openmc_sample_external_source(size_t n, uint64_t* seed, void* sites);
 void openmc_set_seed(int64_t new_seed);
 int openmc_set_n_batches(
   int32_t n_batches, bool set_max_batches, bool add_statepoint_batch);
diff --git a/openmc/lib/core.py b/openmc/lib/core.py
index 3f4a301cd..3a437a295 100644
--- a/openmc/lib/core.py
+++ b/openmc/lib/core.py
@@ -1,7 +1,7 @@
 from contextlib import contextmanager
 from ctypes import (c_bool, c_int, c_int32, c_int64, c_double, c_char_p,
                     c_char, POINTER, Structure, c_void_p, create_string_buffer,
-                    c_uint64)
+                    c_uint64, c_size_t)
 import sys
 import os
 from random import getrandbits
@@ -98,7 +98,7 @@ _dll.openmc_global_bounding_box.argtypes = [POINTER(c_double),
                                             POINTER(c_double)]
 _dll.openmc_global_bounding_box.restype = c_int
 _dll.openmc_global_bounding_box.errcheck = _error_handler
-_dll.openmc_sample_external_source.argtypes = [POINTER(c_uint64), POINTER(_SourceSite)]
+_dll.openmc_sample_external_source.argtypes = [c_size_t, POINTER(c_uint64), POINTER(_SourceSite)]
 _dll.openmc_sample_external_source.restype = c_int
 _dll.openmc_sample_external_source.errcheck = _error_handler
 
@@ -421,35 +421,42 @@ def run(output=True):
         _dll.openmc_run()
 
 
-def sample_external_source(prn_seed=None):
+def sample_external_source(n_samples=1, prn_seed=None):
     """Sample external source
 
     .. versionadded:: 0.13.1
 
     Parameters
     ----------
+    n_samples : int
+        Number of samples
     prn_seed : int
         PRNG seed; if None, one will be generated randomly
 
     Returns
     -------
-    openmc.SourceParticle
-        Sampled source particle
+    list of openmc.SourceParticle
+        List of samples source particles
 
     """
+    if n_samples <= 0:
+        raise ValueError("Number of samples must be positive")
     if prn_seed is None:
         prn_seed = getrandbits(63)
 
     # Call into C API to sample source
-    site = _SourceSite()
-    _dll.openmc_sample_external_source(c_uint64(prn_seed), site)
+    sites_array = (_SourceSite * n_samples)()
+    _dll.openmc_sample_external_source(c_size_t(n_samples), c_uint64(prn_seed), sites_array)
 
-    # Convert to SourceParticle and return
-    return openmc.SourceParticle(
-        r=site.r, u=site.u, E=site.E, time=site.time, wgt=site.wgt,
-        delayed_group=site.delayed_group, surf_id=site.surf_id,
-        particle=openmc.ParticleType(site.particle)
-    )
+    # Convert to list of SourceParticle and return
+    return [
+        openmc.SourceParticle(
+            r=site.r, u=site.u, E=site.E, time=site.time, wgt=site.wgt,
+            delayed_group=site.delayed_group, surf_id=site.surf_id,
+            particle=openmc.ParticleType(site.particle)
+        )
+        for site in sites_array
+    ]
 
 
 def simulation_init():
diff --git a/src/source.cpp b/src/source.cpp
index 8b634ec45..3716720df 100644
--- a/src/source.cpp
+++ b/src/source.cpp
@@ -403,9 +403,18 @@ void free_memory_source()
 // C API
 //==============================================================================
 
-extern "C" int openmc_sample_external_source(uint64_t* seed, SourceSite* site)
+extern "C" int openmc_sample_external_source(
+  size_t n, uint64_t* seed, void* sites)
 {
-  *site = sample_external_source(seed);
+  if (!sites || !seed) {
+    set_errmsg("Received null pointer.");
+    return OPENMC_E_INVALID_ARGUMENT;
+  }
+
+  auto sites_array = static_cast<SourceSite*>(sites);
+  for (size_t i = 0; i < n; ++i) {
+    sites_array[i] = sample_external_source(seed);
+  }
   return 0;
 }
 

From ba5f6f58fad0b28a2c69d4cc63d7dff0ac069067 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 15 Jul 2022 19:57:58 -0500
Subject: [PATCH 0596/2654] Add test for openmc.lib.sample_external_source

---
 tests/unit_tests/test_lib.py | 41 ++++++++++++++++++++++++++++++++++++
 1 file changed, 41 insertions(+)

diff --git a/tests/unit_tests/test_lib.py b/tests/unit_tests/test_lib.py
index a0f18f851..f1f84bff2 100644
--- a/tests/unit_tests/test_lib.py
+++ b/tests/unit_tests/test_lib.py
@@ -807,3 +807,44 @@ def test_cell_rotation(pincell_model_w_univ, mpi_intracomm):
     cell.rotation = (180., 0., 0.)
     assert cell.rotation == pytest.approx([180., 0., 0.])
     openmc.lib.finalize()
+
+
+def test_sample_external_source(run_in_tmpdir, mpi_intracomm):
+    # Define a simple model and export
+    mat = openmc.Material()
+    mat.add_nuclide('U235', 1.0e-2)
+    sph = openmc.Sphere(r=100.0, boundary_type='vacuum')
+    cell = openmc.Cell(fill=mat, region=-sph)
+    model = openmc.Model()
+    model.geometry = openmc.Geometry([cell])
+    model.settings.source = openmc.Source(
+        space=openmc.stats.Box([-5., -5., -5.], [5., 5., 5.]),
+        angle=openmc.stats.Monodirectional((0., 0., 1.)),
+        energy=openmc.stats.Discrete([1.0e5], [1.0])
+    )
+    model.settings.particles = 1000
+    model.settings.batches = 10
+    model.export_to_xml()
+
+    # Sample some particles and make sure they match specified source
+    openmc.lib.init()
+    particles = openmc.lib.sample_external_source(10, prn_seed=3)
+    for p in particles:
+        assert -5. < p.r[0] < 5.
+        assert -5. < p.r[1] < 5.
+        assert -5. < p.r[2] < 5.
+        assert p.u[0] == 0.0
+        assert p.u[1] == 0.0
+        assert p.u[2] == 1.0
+        assert p.E == 1.0e5
+
+    # Using the same seed should produce the same particles
+    other_particles = openmc.lib.sample_external_source(10, prn_seed=3)
+    for p1, p2 in zip(particles, other_particles):
+        assert p1.r == p2.r
+        assert p1.u == p2.u
+        assert p1.E == p2.E
+        assert p1.time == p2.time
+        assert p1.wgt == p2.wgt
+
+    openmc.lib.finalize()

From 38df4f6928cdef6ef92196b92e79565d1e42c078 Mon Sep 17 00:00:00 2001
From: Richard Morrison <rich@richmorrison.com>
Date: Sun, 17 Jul 2022 20:54:02 +0100
Subject: [PATCH 0597/2654] Fixed std::cout sync bug in output.cpp

---
 src/output.cpp | 8 ++++----
 1 file changed, 4 insertions(+), 4 deletions(-)

diff --git a/src/output.cpp b/src/output.cpp
index ece475de0..0bd9693a8 100644
--- a/src/output.cpp
+++ b/src/output.cpp
@@ -93,7 +93,7 @@ void title()
   // Write number of OpenMP threads
   fmt::print("  OpenMP Threads | {}\n", omp_get_max_threads());
 #endif
-  std::cout << std::endl;
+  fmt::print("\n");
 }
 
 //==============================================================================
@@ -133,7 +133,7 @@ void header(const char* msg, int level)
 
   // Print header based on verbosity level.
   if (settings::verbosity >= level)
-    std::cout << '\n' << out << "\n" << std::endl;
+    fmt::print("\n{}\n\n", out);
 }
 
 //==============================================================================
@@ -379,7 +379,7 @@ void print_generation()
   if (n > 1) {
     fmt::print("   {:8.5f} +/-{:8.5f}", simulation::keff, simulation::keff_std);
   }
-  std::cout << std::endl;
+  fmt::print("\n");
 }
 
 //==============================================================================
@@ -546,7 +546,7 @@ void print_results()
     fmt::print(" Leakage Fraction           = {:.5f}\n",
       gt(GlobalTally::LEAKAGE, TallyResult::SUM) / n);
   }
-  std::cout << std::endl;
+  fmt::print("\n");
 }
 
 //==============================================================================

From a42ce82396ed3f3e40718894a3208b3b3bbfc6a3 Mon Sep 17 00:00:00 2001
From: Richard Morrison <rich@richmorrison.com>
Date: Sun, 17 Jul 2022 21:11:17 +0100
Subject: [PATCH 0598/2654] ARG & ENV scoping fix in Dockerfile

---
 Dockerfile | 17 +++++++++++++----
 1 file changed, 13 insertions(+), 4 deletions(-)

diff --git a/Dockerfile b/Dockerfile
index 341390c9a..c83460f35 100644
--- a/Dockerfile
+++ b/Dockerfile
@@ -27,10 +27,6 @@ ARG compile_cores=1
 # Set default value of HOME to /root
 ENV HOME=/root
 
-# OpenMC variables
-ARG openmc_branch=master
-ENV OPENMC_REPO='https://github.com/openmc-dev/openmc'
-
 # Embree variables
 ENV EMBREE_TAG='v3.12.2'
 ENV EMBREE_REPO='https://github.com/embree/embree'
@@ -174,6 +170,17 @@ RUN if [ "$build_libmesh" = "on" ]; then \
 
 FROM dependencies AS build
 
+ENV HOME=/root
+
+ARG openmc_branch=master
+ENV OPENMC_REPO='https://github.com/openmc-dev/openmc'
+
+ARG build_dagmc
+ARG build_libmesh
+
+ENV DAGMC_INSTALL_DIR=$HOME/DAGMC/
+ENV LIBMESH_INSTALL_DIR=$HOME/LIBMESH
+
 # clone and install openmc
 RUN mkdir -p ${HOME}/OpenMC && cd ${HOME}/OpenMC \
     && git clone --shallow-submodules --recurse-submodules --single-branch -b ${openmc_branch} --depth=1 ${OPENMC_REPO} \
@@ -211,5 +218,7 @@ RUN mkdir -p ${HOME}/OpenMC && cd ${HOME}/OpenMC \
 
 FROM build AS release
 
+ENV HOME=/root
+
 # Download cross sections (NNDC and WMP) and ENDF data needed by test suite
 RUN ${HOME}/OpenMC/openmc/tools/ci/download-xs.sh

From d8425d2669b71efbda64a3fbdaf645cf8468e291 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Mon, 18 Jul 2022 06:48:51 -0500
Subject: [PATCH 0599/2654] Apply @shimwell suggestions from code review

Co-authored-by: Jonathan Shimwell <drshimwell@gmail.com>
---
 tests/unit_tests/test_lib.py | 2 ++
 1 file changed, 2 insertions(+)

diff --git a/tests/unit_tests/test_lib.py b/tests/unit_tests/test_lib.py
index f1f84bff2..b57242983 100644
--- a/tests/unit_tests/test_lib.py
+++ b/tests/unit_tests/test_lib.py
@@ -829,6 +829,7 @@ def test_sample_external_source(run_in_tmpdir, mpi_intracomm):
     # Sample some particles and make sure they match specified source
     openmc.lib.init()
     particles = openmc.lib.sample_external_source(10, prn_seed=3)
+    assert len(particles) == 10
     for p in particles:
         assert -5. < p.r[0] < 5.
         assert -5. < p.r[1] < 5.
@@ -840,6 +841,7 @@ def test_sample_external_source(run_in_tmpdir, mpi_intracomm):
 
     # Using the same seed should produce the same particles
     other_particles = openmc.lib.sample_external_source(10, prn_seed=3)
+    assert len(other_particles) == 10
     for p1, p2 in zip(particles, other_particles):
         assert p1.r == p2.r
         assert p1.u == p2.u

From 476fdd1bf7169ac08d17cc529ae9fe1f8bbabcc8 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Mon, 18 Jul 2022 06:49:14 -0500
Subject: [PATCH 0600/2654] Improve description of prn_seed argument in
 openmc.lib functions

---
 openmc/lib/core.py |  3 ++-
 openmc/lib/math.py | 12 ++++++++----
 2 files changed, 10 insertions(+), 5 deletions(-)

diff --git a/openmc/lib/core.py b/openmc/lib/core.py
index 3a437a295..479e414ae 100644
--- a/openmc/lib/core.py
+++ b/openmc/lib/core.py
@@ -431,7 +431,8 @@ def sample_external_source(n_samples=1, prn_seed=None):
     n_samples : int
         Number of samples
     prn_seed : int
-        PRNG seed; if None, one will be generated randomly
+        Pseudorandom number generator (PRNG) seed; if None, one will be
+        generated randomly.
 
     Returns
     -------
diff --git a/openmc/lib/math.py b/openmc/lib/math.py
index d70c20a9f..0f61450bf 100644
--- a/openmc/lib/math.py
+++ b/openmc/lib/math.py
@@ -199,7 +199,8 @@ def rotate_angle(uvw0, mu, phi, prn_seed=None):
     phi : float
         Azimuthal angle; if None, one will be sampled uniformly
     prn_seed : int
-        PRNG seed; if None, one will be generated randomly
+        Pseudorandom number generator (PRNG) seed; if None, one will be
+        generated randomly.
 
     Returns
     -------
@@ -231,7 +232,8 @@ def maxwell_spectrum(T, prn_seed=None):
     T : float
         Spectrum parameter
     prn_seed : int
-        PRNG seed; if None, one will be generated randomly
+        Pseudorandom number generator (PRNG) seed; if None, one will be
+        generated randomly.
 
     Returns
     -------
@@ -256,7 +258,8 @@ def watt_spectrum(a, b, prn_seed=None):
     b : float
         Spectrum parameter b
     prn_seed : int
-        PRNG seed; if None, one will be generated randomly
+        Pseudorandom number generator (PRNG) seed; if None, one will be
+        generated randomly.
 
     Returns
     -------
@@ -281,7 +284,8 @@ def normal_variate(mean_value, std_dev, prn_seed=None):
     std_dev : float
         Standard deviation of the normal distribution
     prn_seed : int
-        PRNG seed; if None, one will be generated randomly
+        Pseudorandom number generator (PRNG) seed; if None, one will be
+        generated randomly.
 
     Returns
     -------

From dc7851dda262980943eb5d0c4461862248a6809e Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Mon, 18 Jul 2022 15:30:52 -0500
Subject: [PATCH 0601/2654] Apply @pshriwise suggestions from code review

Co-authored-by: Patrick Shriwise <pshriwise@gmail.com>
---
 openmc/weight_windows.py | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/openmc/weight_windows.py b/openmc/weight_windows.py
index 257a17e9a..c5b7a00b6 100644
--- a/openmc/weight_windows.py
+++ b/openmc/weight_windows.py
@@ -291,10 +291,10 @@ class WeightWindows(IDManagerMixin):
         subelement.text = ' '.join(str(e) for e in self.energy_bounds)
 
         subelement = ET.SubElement(element, 'lower_ww_bounds')
-        subelement.text = ' '.join(str(b) for b in self.lower_ww_bounds.ravel())
+        subelement.text = ' '.join(str(b) for b in self.lower_ww_bounds.ravel('F'))
 
         subelement = ET.SubElement(element, 'upper_ww_bounds')
-        subelement.text = ' '.join(str(b) for b in self.upper_ww_bounds.ravel())
+        subelement.text = ' '.join(str(b) for b in self.upper_ww_bounds.ravel('F'))
 
         subelement = ET.SubElement(element, 'survival_ratio')
         subelement.text = str(self.survival_ratio)

From fbb15496db978693cb5df9e963d69853b6f1ee9f Mon Sep 17 00:00:00 2001
From: shimwell <mail@jshimwell.com>
Date: Mon, 18 Jul 2022 21:33:37 +0100
Subject: [PATCH 0602/2654] boundary_type review suggestion from @pshriwise

---
 openmc/universe.py | 8 +++++++-
 1 file changed, 7 insertions(+), 1 deletion(-)

diff --git a/openmc/universe.py b/openmc/universe.py
index 989b50c73..959717b6a 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -746,7 +746,13 @@ class DAGMCUniverse(UniverseBase):
             import math
             bounding_box_center = (bounding_box[0] + bounding_box[1])/2
             radius = math.dist(bounding_box[0], bounding_box[1])
-            bounding_surface = openmc.Sphere(x0=bounding_box_center[0], y0=bounding_box_center[1], z0=bounding_box_center[2], r=radius)
+            bounding_surface = openmc.Sphere(
+                x0=bounding_box_center[0],
+                y0=bounding_box_center[1],
+                z0=bounding_box_center[2],
+                boundary_type=boundary_type,
+                r=radius,
+            )
 
             return -bounding_surface
 

From ae4556adda4112565f99e1c5b9153a143a322a41 Mon Sep 17 00:00:00 2001
From: Richard Morrison <rich@richmorrison.com>
Date: Mon, 18 Jul 2022 23:51:14 +0100
Subject: [PATCH 0603/2654] flushing stdout

---
 src/output.cpp | 5 +++++
 1 file changed, 5 insertions(+)

diff --git a/src/output.cpp b/src/output.cpp
index 0bd9693a8..56fea4db9 100644
--- a/src/output.cpp
+++ b/src/output.cpp
@@ -2,6 +2,7 @@
 
 #include <algorithm> // for transform, max
 #include <cstring>   // for strlen
+#include <cstdio>    // for stdout
 #include <ctime>     // for time, localtime
 #include <fstream>
 #include <iomanip> // for setw, setprecision, put_time
@@ -94,6 +95,7 @@ void title()
   fmt::print("  OpenMP Threads | {}\n", omp_get_max_threads());
 #endif
   fmt::print("\n");
+  std::fflush(stdout);
 }
 
 //==============================================================================
@@ -134,6 +136,7 @@ void header(const char* msg, int level)
   // Print header based on verbosity level.
   if (settings::verbosity >= level)
     fmt::print("\n{}\n\n", out);
+    std::fflush(stdout);
 }
 
 //==============================================================================
@@ -380,6 +383,7 @@ void print_generation()
     fmt::print("   {:8.5f} +/-{:8.5f}", simulation::keff, simulation::keff_std);
   }
   fmt::print("\n");
+  std::fflush(stdout);
 }
 
 //==============================================================================
@@ -547,6 +551,7 @@ void print_results()
       gt(GlobalTally::LEAKAGE, TallyResult::SUM) / n);
   }
   fmt::print("\n");
+  std::fflush(stdout);
 }
 
 //==============================================================================

From e72f97c4ed25e9b7c271bdd4f106afc89a4dd2ae Mon Sep 17 00:00:00 2001
From: Richard Morrison <rich@richmorrison.com>
Date: Tue, 19 Jul 2022 00:04:28 +0100
Subject: [PATCH 0604/2654] Dockerfile ARGS to global scope

---
 Dockerfile | 13 ++++++-------
 1 file changed, 6 insertions(+), 7 deletions(-)

diff --git a/Dockerfile b/Dockerfile
index c83460f35..158fed43d 100644
--- a/Dockerfile
+++ b/Dockerfile
@@ -15,14 +15,16 @@
 
 # sudo docker run image_name:tag_name or ID with no tag sudo docker run ID number
 
-FROM debian:bullseye-slim AS dependencies
+
+# global ARG as these ARGS are used in multiple stages
+# By default one core is used to compile
+ARG compile_cores=1
 
 # By default this Dockerfile builds OpenMC without DAGMC and LIBMESH support
 ARG build_dagmc=off
 ARG build_libmesh=off
 
-# By default one core is used to compile
-ARG compile_cores=1
+FROM debian:bullseye-slim AS dependencies
 
 # Set default value of HOME to /root
 ENV HOME=/root
@@ -56,7 +58,6 @@ ENV NJOY_REPO='https://github.com/njoy/NJOY2016'
 
 # Setup environment variables for Docker image
 ENV LD_LIBRARY_PATH=${DAGMC_INSTALL_DIR}/lib:$LD_LIBRARY_PATH \
-    OPENMC_CROSS_SECTIONS=/root/nndc_hdf5/cross_sections.xml \
     OPENMC_ENDF_DATA=/root/endf-b-vii.1 \
     DEBIAN_FRONTEND=noninteractive
 
@@ -175,9 +176,6 @@ ENV HOME=/root
 ARG openmc_branch=master
 ENV OPENMC_REPO='https://github.com/openmc-dev/openmc'
 
-ARG build_dagmc
-ARG build_libmesh
-
 ENV DAGMC_INSTALL_DIR=$HOME/DAGMC/
 ENV LIBMESH_INSTALL_DIR=$HOME/LIBMESH
 
@@ -219,6 +217,7 @@ RUN mkdir -p ${HOME}/OpenMC && cd ${HOME}/OpenMC \
 FROM build AS release
 
 ENV HOME=/root
+ENV OPENMC_CROSS_SECTIONS=/root/nndc_hdf5/cross_sections.xml
 
 # Download cross sections (NNDC and WMP) and ENDF data needed by test suite
 RUN ${HOME}/OpenMC/openmc/tools/ci/download-xs.sh

From c8fb5eb2bdbacfc53d4280030ecae99cf25f0157 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Tue, 19 Jul 2022 11:43:28 +0100
Subject: [PATCH 0605/2654] updated comparison input

---
 .../dagmc/universes/inputs_true.dat              | 16 ++++++++--------
 1 file changed, 8 insertions(+), 8 deletions(-)

diff --git a/tests/regression_tests/dagmc/universes/inputs_true.dat b/tests/regression_tests/dagmc/universes/inputs_true.dat
index 4443f9a35..1a5ca7486 100644
--- a/tests/regression_tests/dagmc/universes/inputs_true.dat
+++ b/tests/regression_tests/dagmc/universes/inputs_true.dat
@@ -1,8 +1,8 @@
 <?xml version='1.0' encoding='utf-8'?>
 <geometry>
-  <cell fill="10" id="13" region="9 -10 11 -12 13 -14" universe="11" />
+  <cell fill="12" id="14" region="22 -23 24 -25 26 -27" universe="13" />
   <dagmc_universe auto_geom_ids="true" filename="dagmc.h5m" id="9" />
-  <lattice id="10">
+  <lattice id="12">
     <pitch>24.0 24.0</pitch>
     <dimension>2 2</dimension>
     <lower_left>-24.0 -24.0</lower_left>
@@ -10,12 +10,12 @@
 9 9 
 9 9 </universes>
   </lattice>
-  <surface boundary="reflective" coeffs="-24.0" id="9" name="left" type="x-plane" />
-  <surface boundary="reflective" coeffs="24.0" id="10" name="right" type="x-plane" />
-  <surface boundary="reflective" coeffs="-24.0" id="11" name="front" type="y-plane" />
-  <surface boundary="reflective" coeffs="24.0" id="12" name="back" type="y-plane" />
-  <surface boundary="reflective" coeffs="-10.0" id="13" name="bottom" type="z-plane" />
-  <surface boundary="reflective" coeffs="10.0" id="14" name="top" type="z-plane" />
+  <surface boundary="reflective" coeffs="-24.0" id="22" name="left" type="x-plane" />
+  <surface boundary="reflective" coeffs="24.0" id="23" name="right" type="x-plane" />
+  <surface boundary="reflective" coeffs="-24.0" id="24" name="front" type="y-plane" />
+  <surface boundary="reflective" coeffs="24.0" id="25" name="back" type="y-plane" />
+  <surface boundary="reflective" coeffs="-10.0" id="26" name="bottom" type="z-plane" />
+  <surface boundary="reflective" coeffs="10.0" id="27" name="top" type="z-plane" />
 </geometry>
 <?xml version='1.0' encoding='utf-8'?>
 <materials>

From efa92ad865d7abee86bd21524164433d96957185 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Tue, 19 Jul 2022 10:05:47 -0500
Subject: [PATCH 0606/2654] Address pauromano's comments

---
 openmc/deplete/openmc_operator.py | 3 ---
 openmc/deplete/operator.py        | 9 ++++-----
 2 files changed, 4 insertions(+), 8 deletions(-)

diff --git a/openmc/deplete/openmc_operator.py b/openmc/deplete/openmc_operator.py
index 047a7f967..e057b3467 100644
--- a/openmc/deplete/openmc_operator.py
+++ b/openmc/deplete/openmc_operator.py
@@ -4,15 +4,12 @@ This module implements functions used by both OpenMC transport operators as well
 
 """
 
-import copy
 from abc import abstractmethod
 from collections import OrderedDict
 
 import numpy as np
-from uncertainties import ufloat
 
 import openmc
-from openmc.exceptions import DataError
 from openmc.mpi import comm
 from .abc import TransportOperator, OperatorResult
 from .atom_number import AtomNumber
diff --git a/openmc/deplete/operator.py b/openmc/deplete/operator.py
index d8b84f5a0..b3c0756b8 100644
--- a/openmc/deplete/operator.py
+++ b/openmc/deplete/operator.py
@@ -269,20 +269,19 @@ class Operator(OpenMCOperator):
                                  for i in range(cell.num_instances)]
 
         self.materials = openmc.Materials(
-            model.geometry.get_all_materials().values()
+            self.model.geometry.get_all_materials().values()
         )
 
     def _load_previous_results(self):
         """Load results from a previous depletion simulation"""
         # Reload volumes into geometry
-        prev_results[-1].transfer_volumes(self.model)
+        self.prev_res[-1].transfer_volumes(self.model)
 
         # Store previous results in operator
         # Distribute reaction rates according to those tracked
         # on this process
-        if comm.size == 1:
-            self.prev_res = prev_results
-        else:
+        if comm.size != 1:
+            prev_results = self.prev_res
             self.prev_res = Results()
             mat_indexes = _distribute(range(len(self.burnable_mats)))
             for res_obj in prev_results:

From 3aad43a3baca31897a2b66bbcc9e3c69a73df688 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Tue, 19 Jul 2022 11:25:45 -0500
Subject: [PATCH 0607/2654] remove unneeded parameters from OpenMCOperator

---
 openmc/deplete/flux_operator.py   | 369 ++----------------------------
 openmc/deplete/openmc_operator.py |  36 +--
 openmc/deplete/operator.py        |  28 ++-
 3 files changed, 43 insertions(+), 390 deletions(-)

diff --git a/openmc/deplete/flux_operator.py b/openmc/deplete/flux_operator.py
index eaa59cbde..9483c324c 100644
--- a/openmc/deplete/flux_operator.py
+++ b/openmc/deplete/flux_operator.py
@@ -20,33 +20,14 @@ from openmc.mpi import comm
 from .abc import TransportOperator, ReactionRateHelper, OperatorResult
 from .atom_number import AtomNumber
 from .chain import REACTIONS
+from .openmc_operator import OpenMCOperator
 from .reaction_rates import ReactionRates
 from .helpers import ConstantFissionYieldHelper, SourceRateHelper
 
 valid_rxns = list(REACTIONS)
 valid_rxns.append('fission')
 
-## delete
-def _distribute(items):
-    """Distribute items across MPI communicator
-    Parameters
-    ----------
-    items : list
-        List of items of distribute
-    Returns
-    -------
-    list
-        Items assigned to process that called
-    """
-    min_size, extra = divmod(len(items), comm.size)
-    j = 0
-    for i in range(comm.size):
-        chunk_size = min_size + int(i < extra)
-        if comm.rank == i:
-            return items[j:j + chunk_size]
-        j += chunk_size
-
-class FluxDepletionOperator(TransportOperator):
+class FluxDepletionOperator(OpenMCOperator):
     """Depletion operator that uses a user-provided flux spectrum and one-group
     cross sections to calculate reaction rates.
 
@@ -130,7 +111,7 @@ class FluxDepletionOperator(TransportOperator):
         check_type('nuclides', nuclides, dict, str)
         check_type('micro_xs', micro_xs, pd.DataFrame)
 
-        self.cross_sections = micro_xs
+        cross_sections = micro_xs
         if keff is not None:
             check_type('keff', keff, tuple, float)
             keff = ufloat(keff)
@@ -140,75 +121,20 @@ class FluxDepletionOperator(TransportOperator):
         materials = self._consolidate_nuclides_to_material(nuclides, volume)
 
         diff_burnable_mats=False
-        #super().__init__(
-        #    materials,
-        #    cross_sections,
-        #    chain_file,
-        #    prev_results,
-        #    diff_burnable_mats,
-        #    normalization_mode,
-        #    None,
-        #    0.0,
-        #    None,
-        #    fission_yield_opts,
-        #    None,
-        #    None,
-        #    reduce_chain,
-        #    reduce_chain_level)
+        helper_kwargs = dict()
+        helper_kwargs['fission_yield_opts'] = fission_yield_opts
 
-        ##delete till end of function
-        super().__init__(chain_file, fission_q, 0.0, prev_results)
-        self.round_number = False
-        self.materials = materials
-
-        # Reduce the chain to only those nuclides present
-        if reduce_chain:
-            init_nuclides = set()
-            for material in self.materials:
-                if not material.depletable:
-                    continue
-                for name, _dens_percent, _dens_type in material.nuclides:
-                    init_nuclides.add(name)
-
-            self.chain = self.chain.reduce(init_nuclides, reduce_chain_level)
-
-        if diff_burnable_mats:
-            ## to implement
-            self._differentiate_burnable_mats()
-
-        # Determine which nuclides have cross section data
-        # This nuclides variables contains every nuclides
-        # for which there is an entry in the micro_xs parameter
-        openmc.reset_auto_ids()
-        self.burnable_mats, volumes, all_nuclides = self._get_burnable_mats()
-        self._all_nuclides = all_nuclides
-        self.local_mats = _distribute(self.burnable_mats)
-
-        self._mat_index_map = {
-            lm: self.burnable_mats.index(lm) for lm in self.local_mats}
-
-        if self.prev_res is not None:
-            ## will be an abstract function for OpenMCOperator
-            self._load_previous_results()
-
-
-        self.nuclides_with_data = self._get_nuclides_with_data(self.cross_sections)
-
-        # Select nuclides with data that are also in the chain
-        self._burnable_nucs = [nuc.name for nuc in self.chain.nuclides
-                               if nuc.name in self.nuclides_with_data]
-
-        # Extract number densities from the geometry / previous depletion run
-        self._extract_number(self.local_mats,
-                             volumes,
-                             all_nuclides,
-                             self.prev_res)
-
-        # Create reaction rates array
-        self.reaction_rates = ReactionRates(
-            self.local_mats, self._burnable_nucs, self.chain.reactions)
-
-        self._get_helper_classes(None, fission_yield_opts)
+        super().__init__(
+            materials,
+            cross_sections,
+            chain_file,
+            prev_results,
+            diff_burnable_mats,
+            fission_q,
+            0.0,
+            helper_kwargs,
+            reduce_chain,
+            reduce_chain_level)
 
     def _consolidate_nuclides_to_material(self, nuclides, volume):
         """Puts nuclide list into an openmc.Materials object.
@@ -224,58 +150,10 @@ class FluxDepletionOperator(TransportOperator):
 
         return openmc.Materials([mat])
 
-    def _differentiate_burnable_materials():
+    def _differentiate_burnable_mats():
         """Assign distribmats for each burnable material"""
         pass
 
-    ##delete
-    def _get_burnable_mats(self):
-        """Determine depletable materials, volumes, and nuclides
-        Returns
-        -------
-        burnable_mats : list of str
-            List of burnable material IDs
-        volume : OrderedDict of str to float
-            Volume of each material in [cm^3]
-        nuclides : list of str
-            Nuclides in order of how they'll appear in the simulation.
-        """
-
-        burnable_mats = set()
-        model_nuclides = set()
-        volume = OrderedDict()
-
-        self.heavy_metal = 0.0
-
-        # Iterate once through the geometry to get dictionaries
-        for mat in self.materials:
-            for nuclide in mat.get_nuclides():
-                model_nuclides.add(nuclide)
-            if mat.depletable:
-                burnable_mats.add(str(mat.id))
-                if mat.volume is None:
-                    raise RuntimeError("Volume not specified for depletable "
-                                       "material with ID={}.".format(mat.id))
-                volume[str(mat.id)] = mat.volume
-                self.heavy_metal += mat.fissionable_mass
-
-        # Make sure there are burnable materials
-        if not burnable_mats:
-            raise RuntimeError(
-                "No depletable materials were found in the model.")
-
-        # Sort the sets
-        burnable_mats = sorted(burnable_mats, key=int)
-        model_nuclides = sorted(model_nuclides)
-
-        # Construct a global nuclide dictionary, burned first
-        nuclides = list(self.chain.nuclide_dict)
-        for nuc in model_nuclides:
-            if nuc not in nuclides:
-                nuclides.append(nuc)
-
-        return burnable_mats, volume, nuclides
-
     def _load_previous_results():
         """Load in results from a previous depletion calculation."""
         pass
@@ -285,53 +163,6 @@ class FluxDepletionOperator(TransportOperator):
         """
         return set(cross_sections.index)
 
-    ##delete
-    def _extract_number(self, local_mats, volume, nuclides, prev_res=None):
-        """Construct AtomNumber using geometry
-
-        Parameters
-        ----------
-        local_mats : list of str
-            Material IDs to be managed by this process
-        volume : OrderedDict of str to float
-            Volumes for the above materials in [cm^3]
-        nuclides : list of str
-            Nuclides to be used in the simulation.
-        prev_res : Results, optional
-            Results from a previous depletion calculation
-
-        """
-        self.number = AtomNumber(local_mats, nuclides, volume, len(self.chain))
-
-        if self.dilute_initial != 0.0:
-            for nuc in self._burnable_nucs:
-                self.number.set_atom_density(np.s_[:], nuc, self.dilute_initial)
-
-        # Now extract and store the number densities
-        # From the geometry if no previous depletion results
-        if prev_res is None:
-            for mat in self.materials:
-                if str(mat.id) in local_mats:
-                    self._set_number_from_mat(mat)
-        # Else from previous depletion results
-        else:
-            raise RuntimeError(
-                "Loading from previous results not yet supported")
-
-    ##delete
-    def _set_number_from_mat(self, mat):
-        """Extracts material and number densities from openmc.Material
-        Parameters
-        ----------
-        mat : openmc.Material
-            The material to read from
-        """
-        mat_id = str(mat.id)
-
-        for nuclide, atom_per_bcm in mat.get_nuclide_atom_densities().items():
-            atom_per_cc = atom_per_bcm * 1.0e24
-            self.number.set_atom_density(mat_id, nuclide, atom_per_cc)
-
     class FluxTimesXSHelper(ReactionRateHelper):
         """Class for generating one-group reaction rates with flux and
         one-group cross sections.
@@ -389,8 +220,11 @@ class FluxDepletionOperator(TransportOperator):
 
             return self._results_cache
 
-    def _get_helper_classes(self, reaction_rate_opts, fission_yield_opts):
+    def _get_helper_classes(self, helper_kwargs):
         """Get helper classes for calculating reation rates and fission yields"""
+
+        fission_yield_opts = helper_kwargs['fission_yield_opts']
+
         rates = self.reaction_rates
         # Get classes to assit working with tallies
         nuc_ind_map = {ind: nuc for nuc, ind in rates.index_nuc.items()}
@@ -419,9 +253,7 @@ class FluxDepletionOperator(TransportOperator):
         """
 
         # Return number density vector
-        #return super().initial_condition()
-        ##delete
-        return list(self.number.get_mat_slice(np.s_[:]))
+        return super().initial_condition(self.materials)
 
     def __call__(self, vec, source_rate):
         """Obtain the reaction rates
@@ -449,18 +281,6 @@ class FluxDepletionOperator(TransportOperator):
         op_result = OperatorResult(keff, rates)
         return copy.deepcopy(op_result)
 
-    ##delete
-    def _update_materials_and_nuclides(self, vec):
-        # Update the number densities regardless of the source rate
-        self.number.set_density(vec)
-        self._update_materials()
-
-        # Get all nuclides for which we will calculate reaction rates
-        rxn_nuclides = self._get_reaction_nuclides()
-        self._rate_helper.nuclides = rxn_nuclides
-        self._normalization_helper.nuclides = rxn_nuclides
-        self._yield_helper.update_tally_nuclides(rxn_nuclides)
-
     def _update_materials(self):
         """Updates material compositions in OpenMC on all processes."""
 
@@ -502,123 +322,6 @@ class FluxDepletionOperator(TransportOperator):
 
                 # TODO Update densities on the Python side, otherwise the
                 # summary.h5 file contains densities at the first time step
-    ##delete
-    def _get_reaction_nuclides(self):
-        """Determine nuclides that should have reaction rates
-
-        This method returns a list of all nuclides that have neutron data and
-        are listed in the depletion chain. Technically, we should list nuclides
-        that may not appear in the depletion chain because we still need to get
-        the fission reaction rate for these nuclides in order to normalize
-        power, but that is left as a future exercise.
-
-        Returns
-        -------
-        list of str
-            nuclides with reaction rates
-
-        """
-        # Create the set of all nuclides in the decay chain in materials marked
-        # for burning in which the number density is greater than zero.
-        nuc_set = set()
-
-        for nuc in self.number.nuclides:
-            if nuc in self.nuclides_with_data:
-                if np.sum(self.number[:,nuc]) > 0.0:
-                    nuc_set.add(nuc)
-
-        # Communicate which nuclides have nonzeros to rank 0
-        if comm.rank == 0:
-            for i in range(1, comm.size):
-                nuc_newset = comm.recv(source=i, tag=i)
-                nuc_set |= nuc_newset
-        else:
-            comm.send(nuc_set, dest=0, tag=comm.rank)
-
-        if comm.rank == 0:
-            # Sort nuclides in the same order as self.number
-            nuc_list = [nuc for nuc in self.number.nuclides
-                        if nuc in nuc_set]
-        else:
-            nuc_list = None
-
-        # Store list of tally nuclides on each process
-        nuc_list = comm.bcast(nuc_list)
-        return [nuc for nuc in nuc_list if nuc in self.chain]
-
-    ##delete
-    def _calculate_reaction_rates(self, source_rate):
-
-        rates = self.reaction_rates
-        rates.fill(0.0)
-
-        rxn_nuclides = self._rate_helper.nuclides
-
-        # Form fast map
-        nuc_ind = [rates.index_nuc[nuc] for nuc in rxn_nuclides]
-        react_ind = [rates.index_rx[react] for react in self.chain.reactions]
-
-        self._normalization_helper.reset()
-        self._yield_helper.unpack()
-
-        # Store fission yield dictionaries
-        fission_yields = []
-
-        # Create arrays to store fission Q values, reaction rates, and nuclide
-        # numbers, zeroed out in material iteration
-        number = np.empty(rates.n_nuc)
-
-        fission_ind = rates.index_rx.get("fission")
-
-        for i, mat in enumerate(self.local_mats):
-            mat_index = self._mat_index_map[mat]
-
-            # Zero out reaction rates and nuclide numbers
-            number.fill(0.0)
-
-            # Get new number densities
-            for nuc, i_nuc_results in zip(rxn_nuclides, nuc_ind):
-                number[i_nuc_results] = self.number[mat, nuc]
-
-            # Calculate macroscopic cross sections and store them in rates array
-            rxn_rates = self._rate_helper.get_material_rates(
-                mat_index, nuc_ind, react_ind)
-
-            ## replace
-            #for nuc in rxn_nuclides:
-            #    density = self.number.get_atom_density(i, nuc)
-            #    for rxn in self.chain.reactions:
-            #        rates.set(
-            #            i,
-            #            nuc,
-            #            rxn,
-            #            self.cross_sections[rxn, nuc] * density)
-
-                    # Compute fission yields for this material
-            fission_yields.append(self._yield_helper.weighted_yields(i))
-
-            # Accumulate energy from fission
-            if fission_ind is not None:
-                self._normalization_helper.update(rxn_rates[:, fission_ind])
-
-            # Divide by total number of atoms and store
-            # the reason we do this is based on the mathematical equation;
-            # in the equation, we multiply the depletion matrix by the nuclide
-            # vector. Since what we want is the depletion matrix, we need to
-            # divide the reaction rates by the number of atoms to get the right
-            # units.
-            rates[i] = self._rate_helper.divide_by_adens(number)
-
-        rates *= self._normalization_helper.factor(source_rate)
-        ##replace
-        # Get reaction rate in reactions/sec
-        #rates *= self.flux_spectra
-
-
-        # Store new fission yields on the chain
-        self.chain.fission_yields = fission_yields
-
-        return rates
 
     def write_bos_data(self, step):
         """Document beginning of step data for a given step
@@ -634,34 +337,6 @@ class FluxDepletionOperator(TransportOperator):
         # Since we aren't running a transport simulation, we simply pass
         pass
 
-    ##delete
-    def get_results_info(self):
-        """Returns volume list, cell lists, and nuc lists.
-
-        Returns
-        -------
-        volume : dict of str to float
-            Volumes corresponding to materials in burn_list
-        nuc_list : list of str
-            A list of all nuclide names. Used for sorting the simulation.
-        burn_list : list of int
-            A list of all cell IDs to be burned.  Used for sorting the
-            simulation.
-        full_burn_list : list of int
-            All burnable materials in the geometry.
-        """
-        nuc_list = self.number.burnable_nuclides
-        burn_list = self.local_mats
-
-        volume = {}
-        for i, mat in enumerate(burn_list):
-            volume[mat] = self.number.volume[i]
-
-        # Combine volume dictionaries across processes
-        volume_list = comm.allgather(volume)
-        volume = {k: v for d in volume_list for k, v in d.items()}
-
-        return volume, nuc_list, burn_list, burn_list
 
     @staticmethod
     def create_micro_xs_from_data_array(
diff --git a/openmc/deplete/openmc_operator.py b/openmc/deplete/openmc_operator.py
index e057b3467..536f67c4b 100644
--- a/openmc/deplete/openmc_operator.py
+++ b/openmc/deplete/openmc_operator.py
@@ -67,8 +67,6 @@ class OpenMCOperator(TransportOperator):
         Whether to differentiate burnable materials with multiple instances.
         Volumes are divided equally from the original material volume.
         Default: False.
-    normalization_mode : str
-        Indicate how reaction rates should be normalized.
     fission_q : dict, optional
         Dictionary of nuclides and their fission Q values [eV].
     dilute_initial : float, optional
@@ -76,17 +74,8 @@ class OpenMCOperator(TransportOperator):
         in initial condition to ensure they exist in the decay chain.
         Only done for nuclides with reaction rates.
         Defaults to 1.0e3.
-    fission_yield_mode : str
-        Key indicating what fission product yield scheme to use.
-    fission_yield_opts : dict of str to option, optional
-        Optional arguments to pass to the helper determined by
-        ``fission_yield_mode``. Will be passed directly on to the
-        helper. Passing a value of None will use the defaults for
-        the associated helper.
-    reaction_rate_mode : str, optional
-        Indicate how one-group reaction rates should be calculated.
-    reaction_rate_opts : dict, optional
-        Keyword arguments that are passed to the reaction rate helper class.
+    helper_kwargs : dict
+        Arguments for helper classes
     reduce_chain : bool, optional
         If True, use :meth:`openmc.deplete.Chain.reduce` to reduce the
         depletion chain up to ``reduce_chain_level``. Default is False.
@@ -136,13 +125,9 @@ class OpenMCOperator(TransportOperator):
             chain_file=None,
             prev_results=None,
             diff_burnable_mats=False,
-            normalization_mode=None,
             fission_q=None,
             dilute_initial=0.0,
-            fission_yield_mode=None,
-            fission_yield_opts=None,
-            reaction_rate_mode=None,
-            reaction_rate_opts=None,
+            helper_kwargs=None,
             reduce_chain=False,
             reduce_chain_level=None):
 
@@ -195,12 +180,7 @@ class OpenMCOperator(TransportOperator):
         self.reaction_rates = ReactionRates(
             self.local_mats, self._burnable_nucs, self.chain.reactions)
 
-        self._get_helper_classes(
-            reaction_rate_mode,
-            normalization_mode,
-            fission_yield_mode,
-            reaction_rate_opts,
-            fission_yield_opts)
+        self._get_helper_classes(helper_kwargs)
 
     @abstractmethod
     def _differentiate_burnable_mats(self):
@@ -363,13 +343,7 @@ class OpenMCOperator(TransportOperator):
             self.number.set_atom_density(mat_id, nuclide, atom_per_cc)
 
     @abstractmethod
-    def _get_helper_classes(
-            self,
-            reaction_rate_mode,
-            normalization_mode,
-            fission_yield_mode,
-            reaction_rate_opts,
-            fission_yield_opts):
+    def _get_helper_classes(self, helper_kwargs):
         """Create the ``_rate_helper``, ``_normalization_helper``, and
         ``_yield_helper`` objects.
 
diff --git a/openmc/deplete/operator.py b/openmc/deplete/operator.py
index b3c0756b8..c5538712d 100644
--- a/openmc/deplete/operator.py
+++ b/openmc/deplete/operator.py
@@ -227,19 +227,22 @@ class Operator(OpenMCOperator):
 
         self.cleanup_when_done = True
 
+        helper_kwargs = dict()
+        helper_kwargs['reaction_rate_mode'] = reaction_rate_mode
+        helper_kwargs['normalization_mode'] = normalization_mode
+        helper_kwargs['fission_yield_mode'] = fission_yield_mode
+        helper_kwargs['reaction_rate_opts'] = reaction_rate_opts
+        helper_kwargs['fission_yield_opts'] = fission_yield_opts
+
         super().__init__(
             model.materials,
             cross_sections,
             chain_file,
             prev_results,
             diff_burnable_mats,
-            normalization_mode,
             fission_q,
             dilute_initial,
-            fission_yield_mode,
-            fission_yield_opts,
-            reaction_rate_mode,
-            reaction_rate_opts,
+            helper_kwargs,
             reduce_chain,
             reduce_chain_level)
 
@@ -313,18 +316,13 @@ class Operator(OpenMCOperator):
 
         return nuclides
 
-    def _get_helper_classes(
-            self,
-            reaction_rate_mode,
-            normalization_mode,
-            fission_yield_mode,
-            reaction_rate_opts,
-            fission_yield_opts):
+    def _get_helper_classes(self, helper_kwargs):
         """Create the ``_rate_helper``, ``_normalization_helper``, and
         ``_yield_helper`` objects.
 
         Parameters
         ----------
+        **kwargs : ...
         reaction_rate_mode : str
             Indicates the subclass of :class:`ReactionRateHelper` to
             instantiate.
@@ -341,6 +339,12 @@ class Operator(OpenMCOperator):
             subclass.
 
         """
+        reaction_rate_mode = helper_kwargs['reaction_rate_mode']
+        normalization_mode = helper_kwargs['normalization_mode']
+        fission_yield_mode = helper_kwargs['fission_yield_mode']
+        reaction_rate_opts = helper_kwargs['reaction_rate_opts']
+        fission_yield_opts = helper_kwargs['fission_yield_opts']
+
         # Get classes to assist working with tallies
         if reaction_rate_mode == "direct":
             self._rate_helper = DirectReactionRateHelper(

From 3817750bff837c8c47b58c0e141ea57be5881df2 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Tue, 19 Jul 2022 12:20:22 -0500
Subject: [PATCH 0608/2654] fix Operator syntax in UG Chapter 8 example

---
 docs/source/usersguide/depletion.rst | 7 +++++--
 1 file changed, 5 insertions(+), 2 deletions(-)

diff --git a/docs/source/usersguide/depletion.rst b/docs/source/usersguide/depletion.rst
index fe3f12dc4..07a7c9645 100644
--- a/docs/source/usersguide/depletion.rst
+++ b/docs/source/usersguide/depletion.rst
@@ -112,13 +112,16 @@ should be, including indirect components. Some examples are provided below::
     # use a dictionary of fission_q values
     fission_q = {"U235": 202e+6}  # energy in eV
 
+    # create a Model object
+    model  = openmc.model.Model(geometry, settings)
+
     # create a modified chain and write it to a new file
     chain = openmc.deplete.Chain.from_xml("chain.xml", fission_q)
     chain.export_to_xml("chain_mod_q.xml")
-    op = openmc.deplete.Operator(geometry, setting, "chain_mod_q.xml")
+    op = openmc.deplete.Operator(model, "chain_mod_q.xml")
 
     # alternatively, pass the modified fission Q directly to the operator
-    op = openmc.deplete.Operator(geometry, setting, "chain.xml",
+    op = openmc.deplete.Operator(model, "chain.xml",
         fission_q=fission_q)
 
 

From 7e671d4e57918ef396fdf2a02cdc6008351a90f3 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Tue, 19 Jul 2022 12:33:56 -0500
Subject: [PATCH 0609/2654] Change defualt constructor to accept a Materials
 object The classmethod, from_nuclides, retains the volume-nuclide constructor

---
 docs/source/usersguide/depletion.rst          | 24 +++---
 openmc/deplete/flux_operator.py               | 79 ++++++++++++++-----
 .../deplete_no_transport/test.py              |  2 +-
 .../unit_tests/test_flux_deplete_operator.py  |  2 +-
 4 files changed, 76 insertions(+), 31 deletions(-)

diff --git a/docs/source/usersguide/depletion.rst b/docs/source/usersguide/depletion.rst
index 07a7c9645..c58a147a2 100644
--- a/docs/source/usersguide/depletion.rst
+++ b/docs/source/usersguide/depletion.rst
@@ -188,15 +188,22 @@ Transport-independent depletion
    possible and likely in the near future.
 
 OpenMC supports running depletion calculations independent of the OpenMC
-transport solver using the :class:`FluxDepletionOperator` class. Rather than 
-taking a :class:`openmc.model.Model` object, this class accepts a volume,
-a dictionary of nuclide concentrations, a flux spectra, and one-group
-microscopic cross sections as a :class:`pandas.DataFrame`. The class includes
-helper functions to construct the dataframe from a csv file or from
-data arrays::
+transport solver using the :class:`FluxDepletionOperator` class. This class
+has two ways to initalize it; the default constructor accepts an 
+:class:`openmc.Materials` object, a flux spectra, and one-group microscopic 
+cross sections as a :class:`pandas.Dataframe`, while the `from_nuclides` 
+method accepts a volume and dictionary of nuclide concentrations in place of
+the :class:`openmc.Materials` object in addition to the other parameters.
+The class includes helper functions to construct the dataframe from a csv file
+or from data arrays::
 
     ...
+    # load in the microscopic cross sections
     micro_xs = FluxDepletionOperator.create_micro_xs_from_csv(micro_xs_path)
+    flux = 1.16e15
+    op = FluxDepletionOperator(materials, micro_xs, flux, chain_file)
+
+    # alternate construtor
     nuclides = {'U234': 8.92e18,
                 'U235': 9.98e20,
                 'U238': 2.22e22,
@@ -204,10 +211,7 @@ data arrays::
                 'O16': 4.64e22,
                 'O17': 1.76e19}
     volume = 0.5 
-    flux = 1.16e15
-
-    op = FluxDepletionOperator(volume, nuclides, micro_xs, flux. chain_file)
-
+    op = FluxDepletionOperator.from_nuclide_dict(volume, nuclides, micro_xs, flux, chain_file)
 
 A user can then define an integrator class as they would for a coupled
 transport-depletion calculation and follow the same steps from there.
diff --git a/openmc/deplete/flux_operator.py b/openmc/deplete/flux_operator.py
index 9483c324c..b52ebd159 100644
--- a/openmc/deplete/flux_operator.py
+++ b/openmc/deplete/flux_operator.py
@@ -38,11 +38,8 @@ class FluxDepletionOperator(OpenMCOperator):
 
     Parameters
     ----------
-    volume : float
-        Volume of the material being depleted in [cm^3]
-    nuclides : dict of str to float
-        Dictionary with nuclide names as keys and nuclide concentrations as
-        values. Nuclide concentration units are [atom/cm^3].
+    materials : openmc.Materials
+        Materials to deplete.
     micro_xs : pandas.DataFrame
         DataFrame with nuclides names as index and microscopic cross section
         data in the columns. Cross section units are [cm^-2].
@@ -88,16 +85,62 @@ class FluxDepletionOperator(OpenMCOperator):
         results are to be used.
     """
 
-    # Alternate constructor using a full-fledges Model object
-    #def __init__(self, model, micro_xs, ...):
-    #    ...
-    #    mode.materials = openmc.Materials(model.geometry.get_all_materials().values())
-    #    super().__init__(model.materials, ...)
+    @classmethod
+    def from_nuclides(cls, volume, nuclides, micro_xs,
+                 flux_spectra,
+                 chain_file,
+                 keff=None,
+                 fission_q=None,
+                 prev_results=None,
+                 reduce_chain=False,
+                 reduce_chain_level=None,
+                 fission_yield_opts=None):
+        """
+        Alternate constructor from a dictionary of nuclide concentrations
 
+        volume : float
+            Volume of the material being depleted in [cm^3]
+        nuclides : dict of str to float
+            Dictionary with nuclide names as keys and nuclide concentrations as
+            values. Nuclide concentration units are [atom/cm^3].
+        micro_xs : pandas.DataFrame
+            DataFrame with nuclides names as index and microscopic cross section
+            data in the columns. Cross section units are [cm^-2].
+        flux_spectra : float
+            Flux spectrum [n cm^-2 s^-1]
+        chain_file : str
+            Path to the depletion chain XML file.
+        keff : 2-tuple of float, optional
+           keff eigenvalue and uncertainty from transport calculation.
+           Default is None.
+        fission_q : dict, optional
+            Dictionary of nuclides and their fission Q values [eV]. If not given,
+            values will be pulled from the ``chain_file``.
+        prev_results : Results, optional
+            Results from a previous depletion calculation.
+        reduce_chain : bool, optional
+            If True, use :meth:`openmc.deplete.Chain.reduce` to reduce the
+            depletion chain up to ``reduce_chain_level``. Default is False.
+        reduce_chain_level : int, optional
+            Depth of the search when reducing the depletion chain. Only used
+            if ``reduce_chain`` evaluates to true. The default value of
+            ``None`` implies no limit on the depth.
+        """
+        check_type('nuclides', nuclides, dict, str)
+        materials = cls._consolidate_nuclides_to_material(nuclides, volume)
+        return cls(materials,
+                     micro_xs,
+                     flux_spectra,
+                     chain_file,
+                     keff,
+                     fission_q,
+                     prev_results,
+                     reduce_chain,
+                     reduce_chain_level,
+                     fission_yield_opts)
 
     def __init__(self,
-                 volume,
-                 nuclides,
+                 materials,
                  micro_xs,
                  flux_spectra,
                  chain_file,
@@ -107,18 +150,15 @@ class FluxDepletionOperator(OpenMCOperator):
                  reduce_chain=False,
                  reduce_chain_level=None,
                  fission_yield_opts=None):
-        # Validate nuclides and micro-xs parameters
-        check_type('nuclides', nuclides, dict, str)
+        # Validate micro-xs parameters
+        check_type('materials', materials, openmc.Materials)
         check_type('micro_xs', micro_xs, pd.DataFrame)
-
-        cross_sections = micro_xs
         if keff is not None:
             check_type('keff', keff, tuple, float)
             keff = ufloat(keff)
 
         self._keff = keff
         self.flux_spectra = flux_spectra
-        materials = self._consolidate_nuclides_to_material(nuclides, volume)
 
         diff_burnable_mats=False
         helper_kwargs = dict()
@@ -126,7 +166,7 @@ class FluxDepletionOperator(OpenMCOperator):
 
         super().__init__(
             materials,
-            cross_sections,
+            micro_xs,
             chain_file,
             prev_results,
             diff_burnable_mats,
@@ -136,7 +176,8 @@ class FluxDepletionOperator(OpenMCOperator):
             reduce_chain,
             reduce_chain_level)
 
-    def _consolidate_nuclides_to_material(self, nuclides, volume):
+    @staticmethod
+    def _consolidate_nuclides_to_material(nuclides, volume):
         """Puts nuclide list into an openmc.Materials object.
 
         """
diff --git a/tests/regression_tests/deplete_no_transport/test.py b/tests/regression_tests/deplete_no_transport/test.py
index cdc8c057c..d326a17c1 100644
--- a/tests/regression_tests/deplete_no_transport/test.py
+++ b/tests/regression_tests/deplete_no_transport/test.py
@@ -47,7 +47,7 @@ def test_no_transport(run_in_tmpdir, vol_nuc, multiproc):
     micro_xs = FluxDepletionOperator.create_micro_xs_from_csv(micro_xs_file)
     chain_file = Path(__file__).parents[2] / 'chain_simple.xml'
     flux = 1164719970082145.0 # flux from pincell example
-    op = FluxDepletionOperator(vol_nuc[0], vol_nuc[1], micro_xs, flux, chain_file)
+    op = FluxDepletionOperator.from_nuclides(vol_nuc[0], vol_nuc[1], micro_xs, flux, chain_file)
 
     # Power and timesteps
     dt = [30] # single step
diff --git a/tests/unit_tests/test_flux_deplete_operator.py b/tests/unit_tests/test_flux_deplete_operator.py
index 99c4e7c8a..315e22cdc 100644
--- a/tests/unit_tests/test_flux_deplete_operator.py
+++ b/tests/unit_tests/test_flux_deplete_operator.py
@@ -69,5 +69,5 @@ def test_operator_init():
                 'O16': 4.639065406771322e+22,
                 'O17': 1.7588724018066158e+19}
     micro_xs = FluxDepletionOperator.create_micro_xs_from_csv(ONE_GROUP_XS)
-    my_flux_operator = FluxDepletionOperator(
+    nuclide_flux_operator = FluxDepletionOperator.from_nuclides(
         1, nuclides, micro_xs, FLUX_SPECTRA, CHAIN_PATH)

From 030e14a799fc3f6000b7377b9cebb2b22a70d186 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Tue, 19 Jul 2022 12:55:05 -0500
Subject: [PATCH 0610/2654] update name of function in example

---
 docs/source/usersguide/depletion.rst | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/docs/source/usersguide/depletion.rst b/docs/source/usersguide/depletion.rst
index c58a147a2..8b960f01f 100644
--- a/docs/source/usersguide/depletion.rst
+++ b/docs/source/usersguide/depletion.rst
@@ -211,7 +211,7 @@ or from data arrays::
                 'O16': 4.64e22,
                 'O17': 1.76e19}
     volume = 0.5 
-    op = FluxDepletionOperator.from_nuclide_dict(volume, nuclides, micro_xs, flux, chain_file)
+    op = FluxDepletionOperator.from_nuclides(volume, nuclides, micro_xs, flux, chain_file)
 
 A user can then define an integrator class as they would for a coupled
 transport-depletion calculation and follow the same steps from there.

From eefb4020afe5eb59cdcb2a64dc104226a883e88d Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Tue, 19 Jul 2022 12:56:12 -0500
Subject: [PATCH 0611/2654] pep8 fixes

---
 openmc/deplete/flux_operator.py               | 60 ++++++++++---------
 .../deplete_no_transport/test.py              | 13 ++--
 2 files changed, 38 insertions(+), 35 deletions(-)

diff --git a/openmc/deplete/flux_operator.py b/openmc/deplete/flux_operator.py
index b52ebd159..f63e72405 100644
--- a/openmc/deplete/flux_operator.py
+++ b/openmc/deplete/flux_operator.py
@@ -27,6 +27,7 @@ from .helpers import ConstantFissionYieldHelper, SourceRateHelper
 valid_rxns = list(REACTIONS)
 valid_rxns.append('fission')
 
+
 class FluxDepletionOperator(OpenMCOperator):
     """Depletion operator that uses a user-provided flux spectrum and one-group
     cross sections to calculate reaction rates.
@@ -87,14 +88,14 @@ class FluxDepletionOperator(OpenMCOperator):
 
     @classmethod
     def from_nuclides(cls, volume, nuclides, micro_xs,
-                 flux_spectra,
-                 chain_file,
-                 keff=None,
-                 fission_q=None,
-                 prev_results=None,
-                 reduce_chain=False,
-                 reduce_chain_level=None,
-                 fission_yield_opts=None):
+                      flux_spectra,
+                      chain_file,
+                      keff=None,
+                      fission_q=None,
+                      prev_results=None,
+                      reduce_chain=False,
+                      reduce_chain_level=None,
+                      fission_yield_opts=None):
         """
         Alternate constructor from a dictionary of nuclide concentrations
 
@@ -129,15 +130,15 @@ class FluxDepletionOperator(OpenMCOperator):
         check_type('nuclides', nuclides, dict, str)
         materials = cls._consolidate_nuclides_to_material(nuclides, volume)
         return cls(materials,
-                     micro_xs,
-                     flux_spectra,
-                     chain_file,
-                     keff,
-                     fission_q,
-                     prev_results,
-                     reduce_chain,
-                     reduce_chain_level,
-                     fission_yield_opts)
+                   micro_xs,
+                   flux_spectra,
+                   chain_file,
+                   keff,
+                   fission_q,
+                   prev_results,
+                   reduce_chain,
+                   reduce_chain_level,
+                   fission_yield_opts)
 
     def __init__(self,
                  materials,
@@ -160,7 +161,7 @@ class FluxDepletionOperator(OpenMCOperator):
         self._keff = keff
         self.flux_spectra = flux_spectra
 
-        diff_burnable_mats=False
+        diff_burnable_mats = False
         helper_kwargs = dict()
         helper_kwargs['fission_yield_opts'] = fission_yield_opts
 
@@ -184,7 +185,7 @@ class FluxDepletionOperator(OpenMCOperator):
         openmc.reset_auto_ids()
         mat = openmc.Material()
         for nuc, conc in nuclides.items():
-            mat.add_nuclide(nuc, conc / 1e24) #convert to at/b-cm
+            mat.add_nuclide(nuc, conc / 1e24)  # convert to at/b-cm
 
         mat.volume = volume
         mat.depleteable = True
@@ -231,6 +232,7 @@ class FluxDepletionOperator(OpenMCOperator):
             Dictionary mapping reaction index to reaction name
 
         """
+
         def __init__(self, n_nuc, n_react, outer):
             super().__init__(n_nuc, n_react)
             self.outer = outer
@@ -253,11 +255,13 @@ class FluxDepletionOperator(OpenMCOperator):
                 Ordering of reactions
             """
             self._results_cache.fill(0.0)
-            for i, (i_nuc, i_react) in enumerate(product(nuc_index, react_index)):
+            for i, (i_nuc, i_react) in enumerate(
+                    product(nuc_index, react_index)):
                 nuc = self.nuc_ind_map[i_nuc]
                 rxn = self.rxn_ind_map[i_react]
                 density = self.outer.number.get_atom_density(mat_id, nuc)
-                self._results_cache[i_nuc, i_react] = self.outer.cross_sections[rxn][nuc] * density
+                self._results_cache[i_nuc,
+                                    i_react] = self.outer.cross_sections[rxn][nuc] * density
 
             return self._results_cache
 
@@ -271,7 +275,8 @@ class FluxDepletionOperator(OpenMCOperator):
         nuc_ind_map = {ind: nuc for nuc, ind in rates.index_nuc.items()}
         rxn_ind_map = {ind: rxn for rxn, ind in rates.index_rx.items()}
 
-        self._rate_helper = self.FluxTimesXSHelper(self.reaction_rates.n_nuc, self.reaction_rates.n_react, self)
+        self._rate_helper = self.FluxTimesXSHelper(
+            self.reaction_rates.n_nuc, self.reaction_rates.n_react, self)
         self._rate_helper.nuc_ind_map = nuc_ind_map
         self._rate_helper.rxn_ind_map = rxn_ind_map
 
@@ -378,7 +383,6 @@ class FluxDepletionOperator(OpenMCOperator):
         # Since we aren't running a transport simulation, we simply pass
         pass
 
-
     @staticmethod
     def create_micro_xs_from_data_array(
             nuclides, reactions, data, units='barn'):
@@ -411,7 +415,8 @@ class FluxDepletionOperator(OpenMCOperator):
                 f'reactions array of length {len(reactions)} do not '
                 f'match dimensions of data array of shape {data.shape}')
 
-        FluxDepletionOperator._validate_micro_xs_inputs(nuclides, reactions, data)
+        FluxDepletionOperator._validate_micro_xs_inputs(
+            nuclides, reactions, data)
 
         # Convert to cm^2
         if units == 'barn':
@@ -441,8 +446,8 @@ class FluxDepletionOperator(OpenMCOperator):
         micro_xs = pd.read_csv(csv_file, index_col=0)
 
         FluxDepletionOperator._validate_micro_xs_inputs(list(micro_xs.index),
-                                  list(micro_xs.columns),
-                                  micro_xs.to_numpy())
+                                                        list(micro_xs.columns),
+                                                        micro_xs.to_numpy())
 
         if units == 'barn':
             micro_xs /= 1e24
@@ -457,6 +462,3 @@ class FluxDepletionOperator(OpenMCOperator):
         check_type('data', data, np.ndarray, expected_iter_type=float)
         for reaction in reactions:
             check_value('reactions', reaction, valid_rxns)
-
-
-
diff --git a/tests/regression_tests/deplete_no_transport/test.py b/tests/regression_tests/deplete_no_transport/test.py
index d326a17c1..f82a342cf 100644
--- a/tests/regression_tests/deplete_no_transport/test.py
+++ b/tests/regression_tests/deplete_no_transport/test.py
@@ -46,16 +46,18 @@ def test_no_transport(run_in_tmpdir, vol_nuc, multiproc):
     micro_xs_file = Path(__file__).parents[2] / 'micro_xs_simple.csv'
     micro_xs = FluxDepletionOperator.create_micro_xs_from_csv(micro_xs_file)
     chain_file = Path(__file__).parents[2] / 'chain_simple.xml'
-    flux = 1164719970082145.0 # flux from pincell example
-    op = FluxDepletionOperator.from_nuclides(vol_nuc[0], vol_nuc[1], micro_xs, flux, chain_file)
+    flux = 1164719970082145.0  # flux from pincell example
+    op = FluxDepletionOperator.from_nuclides(
+        vol_nuc[0], vol_nuc[1], micro_xs, flux, chain_file)
 
     # Power and timesteps
-    dt = [30] # single step
-    power = 174 # W/cm
+    dt = [30]  # single step
+    power = 174  # W/cm
 
     # Perform simulation using the predictor algorithm
     openmc.deplete.pool.USE_MULTIPROCESSING = multiproc
-    openmc.deplete.PredictorIntegrator(op, dt, power, timestep_units='d').integrate()
+    openmc.deplete.PredictorIntegrator(
+        op, dt, power, timestep_units='d').integrate()
 
     # Get path to test and reference results
     path_test = op.output_dir / 'depletion_results.h5'
@@ -102,4 +104,3 @@ def test_no_transport(run_in_tmpdir, vol_nuc, multiproc):
 
             assert correct, "Discrepancy in mat {} and nuc {}\n{}\n{}".format(
                 mat, nuc, y_old, y_test)
-

From b144f1a0fae08d0069d3bdbb1f24d71e6cff78a5 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Wed, 20 Jul 2022 13:22:01 +0100
Subject: [PATCH 0612/2654] added return types to openmc.Settings

---
 openmc/settings.py | 94 +++++++++++++++++++++++-----------------------
 1 file changed, 47 insertions(+), 47 deletions(-)

diff --git a/openmc/settings.py b/openmc/settings.py
index 2d8121659..83a08fd77 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -298,191 +298,191 @@ class Settings:
         self._max_tracks = None
 
     @property
-    def run_mode(self):
+    def run_mode(self) -> str:
         return self._run_mode.value
 
     @property
-    def batches(self):
+    def batches(self) -> int:
         return self._batches
 
     @property
-    def generations_per_batch(self):
+    def generations_per_batch(self) -> int:
         return self._generations_per_batch
 
     @property
-    def inactive(self):
+    def inactive(self) -> int:
         return self._inactive
 
     @property
-    def max_lost_particles(self):
+    def max_lost_particles(self) -> int:
         return self._max_lost_particles
 
     @property
-    def rel_max_lost_particles(self):
+    def rel_max_lost_particles(self) -> int:
         return self._rel_max_lost_particles
 
     @property
-    def particles(self):
+    def particles(self) -> int:
         return self._particles
 
     @property
-    def keff_trigger(self):
+    def keff_trigger(self) -> dict:
         return self._keff_trigger
 
     @property
-    def energy_mode(self):
+    def energy_mode(self) -> str:
         return self._energy_mode
 
     @property
-    def max_order(self):
+    def max_order(self) -> int:
         return self._max_order
 
     @property
-    def source(self):
+    def source(self) -> Union[Source, typing.Iterable[Source]]:
         return self._source
 
     @property
-    def confidence_intervals(self):
+    def confidence_intervals(self) -> bool:
         return self._confidence_intervals
 
     @property
-    def electron_treatment(self):
+    def electron_treatment(self) -> str:
         return self._electron_treatment
 
     @property
-    def ptables(self):
+    def ptables(self) -> bool:
         return self._ptables
 
     @property
-    def photon_transport(self):
+    def photon_transport(self) -> bool:
         return self._photon_transport
 
     @property
-    def seed(self):
+    def seed(self) -> int:
         return self._seed
 
     @property
-    def survival_biasing(self):
+    def survival_biasing(self) -> bool:
         return self._survival_biasing
 
     @property
-    def entropy_mesh(self):
+    def entropy_mesh(self) -> RegularMesh:
         return self._entropy_mesh
 
     @property
-    def trigger_active(self):
+    def trigger_active(self) -> bool:
         return self._trigger_active
 
     @property
-    def trigger_max_batches(self):
+    def trigger_max_batches(self) -> int:
         return self._trigger_max_batches
 
     @property
-    def trigger_batch_interval(self):
+    def trigger_batch_interval(self) -> int:
         return self._trigger_batch_interval
 
     @property
-    def output(self):
+    def output(self) -> dict:
         return self._output
 
     @property
-    def sourcepoint(self):
+    def sourcepoint(self) -> dict:
         return self._sourcepoint
 
     @property
-    def statepoint(self):
+    def statepoint(self) -> dict:
         return self._statepoint
 
     @property
-    def surf_source_read(self):
+    def surf_source_read(self) -> dict:
         return self._surf_source_read
 
     @property
-    def surf_source_write(self):
+    def surf_source_write(self) -> dict:
         return self._surf_source_write
 
     @property
-    def no_reduce(self):
+    def no_reduce(self) -> bool:
         return self._no_reduce
 
     @property
-    def verbosity(self):
+    def verbosity(self) -> int:
         return self._verbosity
 
     @property
-    def tabular_legendre(self):
+    def tabular_legendre(self) -> dict:
         return self._tabular_legendre
 
     @property
-    def temperature(self):
+    def temperature(self) -> dict:
         return self._temperature
 
     @property
-    def trace(self):
+    def trace(self) -> typing.Iterable:
         return self._trace
 
     @property
-    def track(self):
+    def track(self) -> typing.Iterable[int]:
         return self._track
 
     @property
-    def cutoff(self):
+    def cutoff(self) -> dict:
         return self._cutoff
 
     @property
-    def ufs_mesh(self):
+    def ufs_mesh(self) -> RegularMesh:
         return self._ufs_mesh
 
     @property
-    def resonance_scattering(self):
+    def resonance_scattering(self) -> dict:
         return self._resonance_scattering
 
     @property
-    def volume_calculations(self):
+    def volume_calculations(self) -> Union[VolumeCalculation, typing.Iterable[VolumeCalculation]]:
         return self._volume_calculations
 
     @property
-    def create_fission_neutrons(self):
+    def create_fission_neutrons(self) -> bool:
         return self._create_fission_neutrons
 
     @property
-    def delayed_photon_scaling(self):
+    def delayed_photon_scaling(self) -> bool:
         return self._delayed_photon_scaling
 
     @property
-    def material_cell_offsets(self):
+    def material_cell_offsets(self) -> bool:
         return self._material_cell_offsets
 
     @property
-    def log_grid_bins(self):
+    def log_grid_bins(self) -> int:
         return self._log_grid_bins
 
     @property
-    def event_based(self):
+    def event_based(self) -> bool:
         return self._event_based
 
     @property
-    def max_particles_in_flight(self):
+    def max_particles_in_flight(self) -> int:
         return self._max_particles_in_flight
 
     @property
-    def write_initial_source(self):
+    def write_initial_source(self) -> bool:
         return self._write_initial_source
 
     @property
-    def weight_windows(self):
+    def weight_windows(self) -> Union[WeightWindows, typing.Iterable[WeightWindows]]:
         return self._weight_windows
 
     @property
-    def weight_windows_on(self):
+    def weight_windows_on(self) -> bool:
         return self._weight_windows_on
 
     @property
-    def max_splits(self):
+    def max_splits(self) -> int:
         return self._max_splits
 
     @property
-    def max_tracks(self):
+    def max_tracks(self) -> int:
         return self._max_tracks
 
     @run_mode.setter

From 61ad9c977c52df40e012a9818098dbce04974040 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Wed, 20 Jul 2022 11:04:39 -0500
Subject: [PATCH 0613/2654] fix Minimal example syntax

---
 docs/source/pythonapi/deplete.rst | 6 ++++--
 1 file changed, 4 insertions(+), 2 deletions(-)

diff --git a/docs/source/pythonapi/deplete.rst b/docs/source/pythonapi/deplete.rst
index 1f4321642..cb9adfaaf 100644
--- a/docs/source/pythonapi/deplete.rst
+++ b/docs/source/pythonapi/deplete.rst
@@ -40,7 +40,8 @@ transport-depletion coupling algorithms <http://hdl.handle.net/1721.1/113721>`_.
     SICELIIntegrator
     SILEQIIntegrator
 
-Each of these classes expects a "transport operator" to be passed.
+Each of these classes expects a "transport operator" to be passed. Operators
+specific to OpenMC are available using the following classes:
 
 .. autosummary::
    :toctree: generated
@@ -65,11 +66,12 @@ A minimal example for performing depletion would be:
     >>> import openmc.deplete
     >>> geometry = openmc.Geometry.from_xml()
     >>> settings = openmc.Settings.from_xml()
+    >>> model = openmc.model.Model(geometry, settings)
 
     # Representation of a depletion chain
     >>> chain_file = "chain_casl.xml"
     >>> operator = openmc.deplete.Operator(
-    ...     geometry, settings, chain_file)
+    ...     model, chain_file)
 
     # Set up 5 time steps of one day each
     >>> dt = [24 * 60 * 60] * 5

From 66206f8b147075e00af37ab0fe867e1a0ada055e Mon Sep 17 00:00:00 2001
From: Richard Morrison <rich@richmorrison.com>
Date: Wed, 20 Jul 2022 20:31:12 +0100
Subject: [PATCH 0614/2654] ARG reference, use mpicxx

---
 Dockerfile | 7 +++++++
 1 file changed, 7 insertions(+)

diff --git a/Dockerfile b/Dockerfile
index 158fed43d..70bccc041 100644
--- a/Dockerfile
+++ b/Dockerfile
@@ -176,6 +176,9 @@ ENV HOME=/root
 ARG openmc_branch=master
 ENV OPENMC_REPO='https://github.com/openmc-dev/openmc'
 
+ARG build_dagmc
+ARG build_libmesh
+
 ENV DAGMC_INSTALL_DIR=$HOME/DAGMC/
 ENV LIBMESH_INSTALL_DIR=$HOME/LIBMESH
 
@@ -185,6 +188,7 @@ RUN mkdir -p ${HOME}/OpenMC && cd ${HOME}/OpenMC \
     && mkdir build && cd build ; \
     if [ ${build_dagmc} = "on" ] && [ ${build_libmesh} = "on" ]; then \
         cmake ../openmc \
+            -DCMAKE_CXX_COMPILER=mpicxx \
             -DOPENMC_USE_MPI=on \
             -DHDF5_PREFER_PARALLEL=on \
             -DOPENMC_USE_DAGMC=on \
@@ -193,6 +197,7 @@ RUN mkdir -p ${HOME}/OpenMC && cd ${HOME}/OpenMC \
     fi ; \
     if [ ${build_dagmc} = "on" ] && [ ${build_libmesh} = "off" ]; then \
         cmake ../openmc \
+            -DCMAKE_CXX_COMPILER=mpicxx \
             -DOPENMC_USE_MPI=on \
             -DHDF5_PREFER_PARALLEL=on \
             -DOPENMC_USE_DAGMC=ON \
@@ -200,6 +205,7 @@ RUN mkdir -p ${HOME}/OpenMC && cd ${HOME}/OpenMC \
     fi ; \
     if [ ${build_dagmc} = "off" ] && [ ${build_libmesh} = "on" ]; then \
         cmake ../openmc \
+            -DCMAKE_CXX_COMPILER=mpicxx \
             -DOPENMC_USE_MPI=on \
             -DHDF5_PREFER_PARALLEL=on \
             -DOPENMC_USE_LIBMESH=on \
@@ -207,6 +213,7 @@ RUN mkdir -p ${HOME}/OpenMC && cd ${HOME}/OpenMC \
     fi ; \
     if [ ${build_dagmc} = "off" ] && [ ${build_libmesh} = "off" ]; then \
         cmake ../openmc \
+            -DCMAKE_CXX_COMPILER=mpicxx \
             -DOPENMC_USE_MPI=on \
             -DHDF5_PREFER_PARALLEL=on ; \
     fi ; \

From 56b593d0b5632592260807f84288564968046f66 Mon Sep 17 00:00:00 2001
From: Richard Morrison <rich@richmorrison.com>
Date: Wed, 20 Jul 2022 20:40:17 +0100
Subject: [PATCH 0615/2654] compile_cores ARG included in build stages

---
 Dockerfile | 5 +++++
 1 file changed, 5 insertions(+)

diff --git a/Dockerfile b/Dockerfile
index 70bccc041..d408b9de5 100644
--- a/Dockerfile
+++ b/Dockerfile
@@ -26,6 +26,10 @@ ARG build_libmesh=off
 
 FROM debian:bullseye-slim AS dependencies
 
+ARG compile_cores
+ARG build_dagmc
+ARG build_libmesh
+
 # Set default value of HOME to /root
 ENV HOME=/root
 
@@ -176,6 +180,7 @@ ENV HOME=/root
 ARG openmc_branch=master
 ENV OPENMC_REPO='https://github.com/openmc-dev/openmc'
 
+ARG compile_cores
 ARG build_dagmc
 ARG build_libmesh
 

From 4df20f2d6c796cb76af8d8b9eaef73ff272ea60b Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 20 Jul 2022 22:32:03 -0500
Subject: [PATCH 0616/2654] Account for neutron wave number in SLBW competitve
 rho. Closes #907

---
 openmc/data/reconstruct.pyx | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/openmc/data/reconstruct.pyx b/openmc/data/reconstruct.pyx
index f63a155b1..cd0bbc38b 100644
--- a/openmc/data/reconstruct.pyx
+++ b/openmc/data/reconstruct.pyx
@@ -299,8 +299,8 @@ def reconstruct_slbw(slbw, double E):
         # Determine shift and penetration at modified energy
         if slbw._competitive[i]:
             Ex = E + slbw.q_value[l]*(A + 1)/A
-            rhoc = slbw.channel_radius[l](Ex)
-            rhochat = slbw.scattering_radius[l](Ex)
+            rhoc = k*slbw.channel_radius[l](Ex)
+            rhochat = k*slbw.scattering_radius[l](Ex)
             P_c, S_c = penetration_shift(l, rhoc)
             if Ex < 0:
                 P_c = 0

From a27d0e079fe1d69f227e21d55b2d72e8e3e176f5 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 20 Jul 2022 22:43:20 -0500
Subject: [PATCH 0617/2654] Allow inplace argument on Region.translate

---
 openmc/region.py                | 13 ++++++++-----
 openmc/surface.py               | 19 +++++++++----------
 tests/unit_tests/test_region.py | 14 ++++++++++++++
 3 files changed, 31 insertions(+), 15 deletions(-)

diff --git a/openmc/region.py b/openmc/region.py
index 56926187d..4e74a08ad 100644
--- a/openmc/region.py
+++ b/openmc/region.py
@@ -259,13 +259,16 @@ class Region(ABC):
         clone[:] = [n.clone(memo) for n in self]
         return clone
 
-    def translate(self, vector, memo=None):
+    def translate(self, vector, inplace=False, memo=None):
         """Translate region in given direction
 
         Parameters
         ----------
         vector : iterable of float
             Direction in which region should be translated
+        inplace : bool
+            Whether or not to return a region based on new surfaces or one based
+            on the original surfaces that have been modified.
         memo : dict or None
             Dictionary used for memoization. This parameter is used internally
             and should not be specified by the user.
@@ -279,7 +282,7 @@ class Region(ABC):
 
         if memo is None:
             memo = {}
-        return type(self)(n.translate(vector, memo) for n in self)
+        return type(self)(n.translate(vector, inplace, memo) for n in self)
 
     def rotate(self, rotation, pivot=(0., 0., 0.), order='xyz', inplace=False,
                memo=None):
@@ -308,7 +311,7 @@ class Region(ABC):
             :math:`\psi` about z. This corresponds to an x-y-z extrinsic
             rotation as well as a z-y'-x'' intrinsic rotation using Tait-Bryan
             angles :math:`(\phi, \theta, \psi)`.
-        inplace : boolean
+        inplace : bool
             Whether or not to return a new instance of Surface or to modify the
             coefficients of this Surface in place. Defaults to False.
         memo : dict or None
@@ -622,10 +625,10 @@ class Complement(Region):
         clone.node = self.node.clone(memo)
         return clone
 
-    def translate(self, vector, memo=None):
+    def translate(self, vector, inplace=False, memo=None):
         if memo is None:
             memo = {}
-        return type(self)(self.node.translate(vector, memo))
+        return type(self)(self.node.translate(vector, inplace, memo))
 
     def rotate(self, rotation, pivot=(0., 0., 0.), order='xyz', inplace=False,
                memo=None):
diff --git a/openmc/surface.py b/openmc/surface.py
index b3bcebb11..2996897a4 100644
--- a/openmc/surface.py
+++ b/openmc/surface.py
@@ -336,9 +336,9 @@ class Surface(IDManagerMixin, ABC):
         ----------
         vector : iterable of float
             Direction in which surface should be translated
-        inplace : boolean
+        inplace : bool
             Whether or not to return a new instance of this Surface or to
-            modify the coefficients of this Surface. Defaults to False
+            modify the coefficients of this Surface.
 
         Returns
         -------
@@ -374,7 +374,7 @@ class Surface(IDManagerMixin, ABC):
             :math:`\psi` about z. This corresponds to an x-y-z extrinsic
             rotation as well as a z-y'-x'' intrinsic rotation using Tait-Bryan
             angles :math:`(\phi, \theta, \psi)`.
-        inplace : boolean
+        inplace : bool
             Whether or not to return a new instance of Surface or to modify the
             coefficients of this Surface in place. Defaults to False.
 
@@ -568,9 +568,9 @@ class PlaneMixin:
         ----------
         vector : iterable of float
             Direction in which surface should be translated
-        inplace : boolean
+        inplace : bool
             Whether or not to return a new instance of a Plane or to modify the
-            coefficients of this plane. Defaults to False
+            coefficients of this plane.
 
         Returns
         -------
@@ -1012,9 +1012,8 @@ class QuadricMixin:
         ----------
         vector : iterable of float
             Direction in which surface should be translated
-        inplace : boolean
+        inplace : bool
             Whether to return a clone of the Surface or the Surface itself.
-            Defaults to False
 
         Returns
         -------
@@ -2563,7 +2562,7 @@ class Halfspace(Region):
         clone.surface = self.surface.clone(memo)
         return clone
 
-    def translate(self, vector, memo=None):
+    def translate(self, vector, inplace=False, memo=None):
         """Translate half-space in given direction
 
         Parameters
@@ -2585,7 +2584,7 @@ class Halfspace(Region):
         # If translated surface not in memo, add it
         key = (self.surface, tuple(vector))
         if key not in memo:
-            memo[key] = self.surface.translate(vector)
+            memo[key] = self.surface.translate(vector, inplace)
 
         # Return translated half-space
         return type(self)(memo[key], self.side)
@@ -2617,7 +2616,7 @@ class Halfspace(Region):
             :math:`\psi` about z. This corresponds to an x-y-z extrinsic
             rotation as well as a z-y'-x'' intrinsic rotation using Tait-Bryan
             angles :math:`(\phi, \theta, \psi)`.
-        inplace : boolean
+        inplace : bool
             Whether or not to return a new instance of Surface or to modify the
             coefficients of this Surface in place. Defaults to False.
         memo : dict or None
diff --git a/tests/unit_tests/test_region.py b/tests/unit_tests/test_region.py
index 8537e3b80..086ce6401 100644
--- a/tests/unit_tests/test_region.py
+++ b/tests/unit_tests/test_region.py
@@ -208,3 +208,17 @@ def test_from_expression(reset):
     # Opening parenthesis immediately after halfspace
     r = openmc.Region.from_expression('1(2|-3)', surfs)
     assert str(r) == '(1 (2 | -3))'
+
+
+def test_translate_inplace():
+    sph = openmc.Sphere()
+    x = openmc.XPlane()
+    region = -sph & +x
+
+    # Translating a region should produce new surfaces
+    region2 = region.translate((0.5, -6.7, 3.9), inplace=False)
+    assert str(region) != str(region2)
+
+    # Translating a region in-place should *not* produce new surfaces
+    region3 = region.translate((0.5, -6.7, 3.9), inplace=True)
+    assert str(region) == str(region3)

From 8bf727022f18d87878d3837b663d33bae0aa4b7b Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <drshimwell@gmail.com>
Date: Thu, 21 Jul 2022 09:12:08 +0100
Subject: [PATCH 0618/2654] return types corrections by @paulromano

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/settings.py | 10 +++++-----
 1 file changed, 5 insertions(+), 5 deletions(-)

diff --git a/openmc/settings.py b/openmc/settings.py
index 83a08fd77..5b5c265f6 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -318,7 +318,7 @@ class Settings:
         return self._max_lost_particles
 
     @property
-    def rel_max_lost_particles(self) -> int:
+    def rel_max_lost_particles(self) -> float:
         return self._rel_max_lost_particles
 
     @property
@@ -338,7 +338,7 @@ class Settings:
         return self._max_order
 
     @property
-    def source(self) -> Union[Source, typing.Iterable[Source]]:
+    def source(self) -> typing.List[Source]:
         return self._source
 
     @property
@@ -422,7 +422,7 @@ class Settings:
         return self._trace
 
     @property
-    def track(self) -> typing.Iterable[int]:
+    def track(self) -> typing.Iterable[typing.Iterable[int]]:
         return self._track
 
     @property
@@ -438,7 +438,7 @@ class Settings:
         return self._resonance_scattering
 
     @property
-    def volume_calculations(self) -> Union[VolumeCalculation, typing.Iterable[VolumeCalculation]]:
+    def volume_calculations(self) -> typing.List[VolumeCalculation]:
         return self._volume_calculations
 
     @property
@@ -470,7 +470,7 @@ class Settings:
         return self._write_initial_source
 
     @property
-    def weight_windows(self) -> Union[WeightWindows, typing.Iterable[WeightWindows]]:
+    def weight_windows(self) -> typing.List[WeightWindows]:
         return self._weight_windows
 
     @property

From 035b0df3d85e22693d8206cc662efdee1b7557e7 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Thu, 21 Jul 2022 09:14:15 +0100
Subject: [PATCH 0619/2654] corrected rel_max_lost_particles type

---
 openmc/settings.py | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/openmc/settings.py b/openmc/settings.py
index 5b5c265f6..47c61e6ae 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -75,7 +75,7 @@ class Settings:
         Maximum number of lost particles
 
         .. versionadded:: 0.12
-    rel_max_lost_particles : int
+    rel_max_lost_particles : float
         Maximum number of lost particles, relative to the total number of particles
 
         .. versionadded:: 0.12
@@ -517,7 +517,7 @@ class Settings:
         self._max_lost_particles = max_lost_particles
 
     @rel_max_lost_particles.setter
-    def rel_max_lost_particles(self, rel_max_lost_particles: int):
+    def rel_max_lost_particles(self, rel_max_lost_particles: float):
         cv.check_type('rel_max_lost_particles', rel_max_lost_particles, Real)
         cv.check_greater_than('rel_max_lost_particles', rel_max_lost_particles, 0)
         cv.check_less_than('rel_max_lost_particles', rel_max_lost_particles, 1)

From ada2493a6b901aba7e404da2ca90f14ea9c166f6 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Thu, 21 Jul 2022 12:05:31 +0100
Subject: [PATCH 0620/2654] changed auto_geom_ids approach

---
 openmc/universe.py | 10 +---------
 src/dagmc.cpp      |  4 +++-
 2 files changed, 4 insertions(+), 10 deletions(-)

diff --git a/openmc/universe.py b/openmc/universe.py
index 959717b6a..5bcbfde46 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -767,26 +767,18 @@ class DAGMCUniverse(UniverseBase):
 
             return +lower_x & -upper_x & +lower_y & -upper_y & +lower_z & -upper_z
 
-    def bounded_universe(self, auto_geom_ids=True, **kwargs):
+    def bounded_universe(self, **kwargs):
         """Returns an openmc.Universe filled with this DAGMCUniverse and bounded
         with a cell. Defaults to a box cell with a vacuum surface however this
         can be changed using the kwargs which are passed directly to
         DAGMCUniverse.bounding_region().
 
-        Parameters
-        ----------
-        auto_geom_ids : bool
-            Set IDs automatically on initialization (True) or report overlaps
-            in ID space between CSG and DAGMC (False). Defaults to True to avoid
-            overlapping ID numbers between the CSG and DAGMC geometry ID numbers
-
         Returns
         -------
         openmc.Universe
             Universe instance
         """
 
-        self.auto_geom_ids = auto_geom_ids
         bounding_cell = openmc.Cell(fill=self, region=self.bounding_region(**kwargs))
         return openmc.Universe(cells=[bounding_cell])
 
diff --git a/src/dagmc.cpp b/src/dagmc.cpp
index 8ce5aabda..c9a6e6ad2 100644
--- a/src/dagmc.cpp
+++ b/src/dagmc.cpp
@@ -183,7 +183,9 @@ void DAGUniverse::init_geometry()
     } else {
       warning(fmt::format("DAGMC Cell IDs: {}", dagmc_ids_for_dim(3)));
       fatal_error(fmt::format("Cell ID {} exists in both DAGMC Universe {} "
-                              "and the CSG geometry.",
+                              "and the CSG geometry. Setting auto_geom_ids
+                              to True when initiating the DAGMC Universe may
+                              resolve this issue",
         c->id_, this->id_));
     }
 

From 0256fe90d47a642ace88b5c6168fde50f832920b Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <drshimwell@gmail.com>
Date: Thu, 21 Jul 2022 16:11:57 +0100
Subject: [PATCH 0621/2654] corrected end of line

---
 src/dagmc.cpp | 6 +++---
 1 file changed, 3 insertions(+), 3 deletions(-)

diff --git a/src/dagmc.cpp b/src/dagmc.cpp
index c9a6e6ad2..dc3bc2b2c 100644
--- a/src/dagmc.cpp
+++ b/src/dagmc.cpp
@@ -183,9 +183,9 @@ void DAGUniverse::init_geometry()
     } else {
       warning(fmt::format("DAGMC Cell IDs: {}", dagmc_ids_for_dim(3)));
       fatal_error(fmt::format("Cell ID {} exists in both DAGMC Universe {} "
-                              "and the CSG geometry. Setting auto_geom_ids
-                              to True when initiating the DAGMC Universe may
-                              resolve this issue",
+                              "and the CSG geometry. Setting auto_geom_ids "
+                              "to True when initiating the DAGMC Universe may "
+                              "resolve this issue",
         c->id_, this->id_));
     }
 

From 06f34b9f232256c0968b1a3ab10132754018bef9 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Thu, 21 Jul 2022 11:00:45 -0500
Subject: [PATCH 0622/2654] address most of paulromano's comments

---
 docs/source/usersguide/depletion.rst          |   8 +-
 openmc/deplete/flux_operator.py               | 234 +++++++++---------
 openmc/deplete/openmc_operator.py             |  46 ++--
 openmc/deplete/operator.py                    |  58 ++---
 .../unit_tests/test_flux_deplete_operator.py  |   2 +-
 5 files changed, 159 insertions(+), 189 deletions(-)

diff --git a/docs/source/usersguide/depletion.rst b/docs/source/usersguide/depletion.rst
index 8b960f01f..4ce495623 100644
--- a/docs/source/usersguide/depletion.rst
+++ b/docs/source/usersguide/depletion.rst
@@ -113,7 +113,7 @@ should be, including indirect components. Some examples are provided below::
     fission_q = {"U235": 202e+6}  # energy in eV
 
     # create a Model object
-    model  = openmc.model.Model(geometry, settings)
+    model  = openmc.Model(geometry, settings)
 
     # create a modified chain and write it to a new file
     chain = openmc.deplete.Chain.from_xml("chain.xml", fission_q)
@@ -180,7 +180,7 @@ across all material instances.
     number of tallies and material definitions.
 
 Transport-independent depletion
--------------------------------
+===============================
 
 .. note::
    
@@ -188,10 +188,10 @@ Transport-independent depletion
    possible and likely in the near future.
 
 OpenMC supports running depletion calculations independent of the OpenMC
-transport solver using the :class:`FluxDepletionOperator` class. This class
+transport solver using the :class:`~openmc.deplete.FluxDepletionOperator` class. This class
 has two ways to initalize it; the default constructor accepts an 
 :class:`openmc.Materials` object, a flux spectra, and one-group microscopic 
-cross sections as a :class:`pandas.Dataframe`, while the `from_nuclides` 
+cross sections as a :class:`pandas.DataFrame`, while the `from_nuclides` 
 method accepts a volume and dictionary of nuclide concentrations in place of
 the :class:`openmc.Materials` object in addition to the other parameters.
 The class includes helper functions to construct the dataframe from a csv file
diff --git a/openmc/deplete/flux_operator.py b/openmc/deplete/flux_operator.py
index f63e72405..cfcec242a 100644
--- a/openmc/deplete/flux_operator.py
+++ b/openmc/deplete/flux_operator.py
@@ -1,6 +1,6 @@
 """Pure depletion operator
 
-This module implements a pure depletion operator that uses user provided fluxes
+This module implements a pure depletion operator that uses user- provided fluxes
 and one-group cross sections.
 
 """
@@ -17,25 +17,23 @@ from uncertainties import ufloat
 import openmc
 from openmc.checkvalue import check_type, check_value, check_iterable_type
 from openmc.mpi import comm
-from .abc import TransportOperator, ReactionRateHelper, OperatorResult
-from .atom_number import AtomNumber
+from .abc import ReactionRateHelper, OperatorResult
 from .chain import REACTIONS
 from .openmc_operator import OpenMCOperator
-from .reaction_rates import ReactionRates
 from .helpers import ConstantFissionYieldHelper, SourceRateHelper
 
-valid_rxns = list(REACTIONS)
-valid_rxns.append('fission')
+_valid_rxns = list(REACTIONS)
+_valid_rxns.append('fission')
 
 
 class FluxDepletionOperator(OpenMCOperator):
-    """Depletion operator that uses a user-provided flux spectrum and one-group
+    """Depletion operator that uses a user-provided flux and one-group
     cross sections to calculate reaction rates.
 
-    Instances of this class can be used to perform depletion using one group
+    Instances of this class can be used to perform depletion using one-group
     cross sections and constant flux. Normally, a user needn't call methods of
     this class directly. Instead, an instance of this class is passed to an
-    integrator class, such as :class:`openmc.deplete.CECMIntegrator`
+    integrator class, such as :class:`openmc.deplete.CECMIntegrator`.
 
     Parameters
     ----------
@@ -44,8 +42,8 @@ class FluxDepletionOperator(OpenMCOperator):
     micro_xs : pandas.DataFrame
         DataFrame with nuclides names as index and microscopic cross section
         data in the columns. Cross section units are [cm^-2].
-    flux_spectra : float
-        Flux spectrum [n cm^-2 s^-1]
+    flux : float
+        Neutron flux [n cm^-2 s^-1]
     chain_file : str
         Path to the depletion chain XML file.
     keff : 2-tuple of float, optional
@@ -63,16 +61,27 @@ class FluxDepletionOperator(OpenMCOperator):
         Depth of the search when reducing the depletion chain. Only used
         if ``reduce_chain`` evaluates to true. The default value of
         ``None`` implies no limit on the depth.
+    fission_yield_opts : dict of str to option, optional
+        Optional arguments to pass to the `FissionYieldHelper`. Will be
+        passed directly on to the helper. Passing a value of None will use
+        the defaults for the associated helper.
 
 
     Attributes
     ----------
+    materials : openmc.Materials
+        All materials present in the model
+    cross_sections : pandas.DataFrame
+        Object containing one-group cross-sections.
+    dilute_initial : float
+        Initial atom density [atoms/cm^3] to add for nuclides that
+        are zero in initial condition to ensure they exist in the decay
+        chain. Only done for nuclides with reaction rates.
+    output_dir : pathlib.Path
+        Path to output directory to save results.
     round_number : bool
         Whether or not to round output to OpenMC to 8 digits.
         Useful in testing, as OpenMC is incredibly sensitive to exact values.
-    prev_res : Results or None
-        Results from a previous depletion calculation. ``None`` if no
-        results are to be used.
     number : openmc.deplete.AtomNumber
         Total number of atoms in simulation.
     nuclides_with_data : set of str
@@ -81,14 +90,55 @@ class FluxDepletionOperator(OpenMCOperator):
         The depletion chain information necessary to form matrices and tallies.
     reaction_rates : openmc.deplete.ReactionRates
         Reaction rates from the last operator step.
+    burnable_mats : list of str
+        All burnable material IDs
+    heavy_metal : float
+        Initial heavy metal inventory [g]
+    local_mats : list of str
+        All burnable material IDs being managed by a single process
     prev_res : Results or None
         Results from a previous depletion calculation. ``None`` if no
         results are to be used.
-    """
+
+       """
+
+    def __init__(self,
+                 materials,
+                 micro_xs,
+                 flux,
+                 chain_file,
+                 keff=None,
+                 fission_q=None,
+                 prev_results=None,
+                 reduce_chain=False,
+                 reduce_chain_level=None,
+                 fission_yield_opts=None):
+        # Validate micro-xs parameters
+        check_type('materials', materials, openmc.Materials)
+        check_type('micro_xs', micro_xs, pd.DataFrame)
+        if keff is not None:
+            check_type('keff', keff, tuple, float)
+            keff = ufloat(*keff)
+
+        self._keff = keff
+        self.flux = flux
+
+        helper_kwargs = dict()
+        helper_kwargs = {'fission_yield_opts': fission_yield_opts}
+
+        super().__init__(
+            materials,
+            micro_xs,
+            chain_file,
+            prev_results,
+            fission_q=fission_q,
+            helper_kwargs=helper_kwargs,
+            reduce_chain=reduce_chain,
+            reduce_chain_level=reduce_chain_level)
 
     @classmethod
     def from_nuclides(cls, volume, nuclides, micro_xs,
-                      flux_spectra,
+                      flux,
                       chain_file,
                       keff=None,
                       fission_q=None,
@@ -107,8 +157,8 @@ class FluxDepletionOperator(OpenMCOperator):
         micro_xs : pandas.DataFrame
             DataFrame with nuclides names as index and microscopic cross section
             data in the columns. Cross section units are [cm^-2].
-        flux_spectra : float
-            Flux spectrum [n cm^-2 s^-1]
+        flux : float
+            Neutron flux [n cm^-2 s^-1]
         chain_file : str
             Path to the depletion chain XML file.
         keff : 2-tuple of float, optional
@@ -126,12 +176,17 @@ class FluxDepletionOperator(OpenMCOperator):
             Depth of the search when reducing the depletion chain. Only used
             if ``reduce_chain`` evaluates to true. The default value of
             ``None`` implies no limit on the depth.
+        fission_yield_opts : dict of str to option, optional
+            Optional arguments to pass to the `FissionYieldHelper`. Will be
+            passed directly on to the helper. Passing a value of None will use
+            the defaults for the associated helper.
+
         """
         check_type('nuclides', nuclides, dict, str)
         materials = cls._consolidate_nuclides_to_material(nuclides, volume)
         return cls(materials,
                    micro_xs,
-                   flux_spectra,
+                   flux,
                    chain_file,
                    keff,
                    fission_q,
@@ -140,42 +195,6 @@ class FluxDepletionOperator(OpenMCOperator):
                    reduce_chain_level,
                    fission_yield_opts)
 
-    def __init__(self,
-                 materials,
-                 micro_xs,
-                 flux_spectra,
-                 chain_file,
-                 keff=None,
-                 fission_q=None,
-                 prev_results=None,
-                 reduce_chain=False,
-                 reduce_chain_level=None,
-                 fission_yield_opts=None):
-        # Validate micro-xs parameters
-        check_type('materials', materials, openmc.Materials)
-        check_type('micro_xs', micro_xs, pd.DataFrame)
-        if keff is not None:
-            check_type('keff', keff, tuple, float)
-            keff = ufloat(keff)
-
-        self._keff = keff
-        self.flux_spectra = flux_spectra
-
-        diff_burnable_mats = False
-        helper_kwargs = dict()
-        helper_kwargs['fission_yield_opts'] = fission_yield_opts
-
-        super().__init__(
-            materials,
-            micro_xs,
-            chain_file,
-            prev_results,
-            diff_burnable_mats,
-            fission_q,
-            0.0,
-            helper_kwargs,
-            reduce_chain,
-            reduce_chain_level)
 
     @staticmethod
     def _consolidate_nuclides_to_material(nuclides, volume):
@@ -185,27 +204,18 @@ class FluxDepletionOperator(OpenMCOperator):
         openmc.reset_auto_ids()
         mat = openmc.Material()
         for nuc, conc in nuclides.items():
-            mat.add_nuclide(nuc, conc / 1e24)  # convert to at/b-cm
+            mat.add_nuclide(nuc, conc * 1e-24)  # convert to at/b-cm
 
         mat.volume = volume
-        mat.depleteable = True
+        mat.depletable = True
 
         return openmc.Materials([mat])
 
-    def _differentiate_burnable_mats():
-        """Assign distribmats for each burnable material"""
-        pass
-
-    def _load_previous_results():
-        """Load in results from a previous depletion calculation."""
-        pass
-
     def _get_nuclides_with_data(self, cross_sections):
-        """Finds nuclides with cross section data
-        """
+        """Finds nuclides with cross section data"""
         return set(cross_sections.index)
 
-    class FluxTimesXSHelper(ReactionRateHelper):
+    class _FluxDepletionRateHelper(ReactionRateHelper):
         """Class for generating one-group reaction rates with flux and
         one-group cross sections.
 
@@ -216,13 +226,14 @@ class FluxDepletionOperator(OpenMCOperator):
 
         Parameters
         ----------
-        outer : openmc.deplete.FluxDepletionOperator
-            Reference to the object encapsulate FluxTimesXSHelper.
-            We pass this so we don't have to duplicate the ``number`` object.
         n_nucs : int
             Number of burnable nuclides tracked by :class:`openmc.deplete.Operator`
         n_react : int
             Number of reactions tracked by :class:`openmc.deplete.Operator`
+        op : openmc.deplete.FluxDepletionOperator
+            Reference to the object encapsulate _FluxDepletionRateHelper.
+            We pass this so we don't have to duplicate the ``number`` object.
+
 
         Attributes
         ----------
@@ -233,14 +244,17 @@ class FluxDepletionOperator(OpenMCOperator):
 
         """
 
-        def __init__(self, n_nuc, n_react, outer):
+        def __init__(self, n_nuc, n_react, op, nuc_ind_map. rxn_ind_map)
             super().__init__(n_nuc, n_react)
-            self.outer = outer
-            self.nuc_ind_map = None
-            self.rxn_ind_map = None
+            self._op = op
+            rates = self.reaction_rates
+            # Get classes to assit working with tallies
+            self.nuc_ind_map = {ind: nuc for nuc, ind in rates.index_nuc.items()}
+            self.rxn_ind_map = {ind: rxn for rxn, ind in rates.index_rx.items()}
 
         def generate_tallies(self, materials, scores):
             """Unused in this case"""
+            pass
 
         def get_material_rates(self, mat_id, nuc_index, react_index):
             """Return 2D array of [nuclide, reaction] reaction rates
@@ -255,37 +269,35 @@ class FluxDepletionOperator(OpenMCOperator):
                 Ordering of reactions
             """
             self._results_cache.fill(0.0)
-            for i, (i_nuc, i_react) in enumerate(
-                    product(nuc_index, react_index)):
+            for i_nuc, i_react in product(nuc_index, react_index):
                 nuc = self.nuc_ind_map[i_nuc]
                 rxn = self.rxn_ind_map[i_react]
-                density = self.outer.number.get_atom_density(mat_id, nuc)
+                density = self._op.number.get_atom_density(mat_id, nuc)
                 self._results_cache[i_nuc,
-                                    i_react] = self.outer.cross_sections[rxn][nuc] * density
+                                    i_react] = self._op.cross_sections[rxn][nuc] * density
 
             return self._results_cache
 
     def _get_helper_classes(self, helper_kwargs):
-        """Get helper classes for calculating reation rates and fission yields"""
+        """Get helper classes for calculating reation rates and fission yields
 
-        fission_yield_opts = helper_kwargs['fission_yield_opts']
+        Parameters
+        ----------
+        helper_kwargs : dict
+            Keyword arguments for helper classes
 
-        rates = self.reaction_rates
-        # Get classes to assit working with tallies
-        nuc_ind_map = {ind: nuc for nuc, ind in rates.index_nuc.items()}
-        rxn_ind_map = {ind: rxn for rxn, ind in rates.index_rx.items()}
 
-        self._rate_helper = self.FluxTimesXSHelper(
+        """
+
+        fission_yield_opts = helper_kwargs.get('fission_yield_opts', {})
+
+        self._rate_helper = self._FluxDepletionRateHelper(
             self.reaction_rates.n_nuc, self.reaction_rates.n_react, self)
-        self._rate_helper.nuc_ind_map = nuc_ind_map
-        self._rate_helper.rxn_ind_map = rxn_ind_map
 
         self._normalization_helper = SourceRateHelper()
 
         # Select and create fission yield helper
         fission_helper = ConstantFissionYieldHelper
-        fission_yield_opts = (
-            {} if fission_yield_opts is None else fission_yield_opts)
         self._yield_helper = fission_helper.from_operator(
             self, **fission_yield_opts)
 
@@ -320,8 +332,8 @@ class FluxDepletionOperator(OpenMCOperator):
 
         self._update_materials_and_nuclides(vec)
 
-        # Use the flux spectra as a "source rate"
-        rates = self._calculate_reaction_rates(self.flux_spectra)
+        # Use the flux as a "source rate"
+        rates = self._calculate_reaction_rates(self.flux)
         keff = self._keff
 
         op_result = OperatorResult(keff, rates)
@@ -356,36 +368,14 @@ class FluxDepletionOperator(OpenMCOperator):
                             # negative. CRAM does not guarantee positive
                             # values.
                             if val < -1.0e-21:
-                                print(
-                                    "WARNING: nuclide ",
-                                    nuc,
-                                    " in material ",
-                                    mat,
-                                    " is negative (density = ",
-                                    val,
-                                    " at/barn-cm)")
+                                print(f'WARNING: nuclide {nuc} in material'
+                                      f'{mat} is negative (density = {val}'
+
+                                      ' at/barn-cm)')
                             number_i[mat, nuc] = 0.0
 
-                # TODO Update densities on the Python side, otherwise the
-                # summary.h5 file contains densities at the first time step
-
-    def write_bos_data(self, step):
-        """Document beginning of step data for a given step
-
-        Called at the beginning of a depletion step and at
-        the final point in the simulation.
-
-        Parameters
-        ----------
-        step : int
-            Current depletion step including restarts
-        """
-        # Since we aren't running a transport simulation, we simply pass
-        pass
-
     @staticmethod
-    def create_micro_xs_from_data_array(
-            nuclides, reactions, data, units='barn'):
+    def create_micro_xs_from_data_array(nuclides, reactions, data, units='barn'):
         """
         Creates a ``micro_xs`` parameter from a dictionary.
 
@@ -420,7 +410,7 @@ class FluxDepletionOperator(OpenMCOperator):
 
         # Convert to cm^2
         if units == 'barn':
-            data /= 1e24
+            data *= 1e-24
 
         return pd.DataFrame(index=nuclides, columns=reactions, data=data)
 
@@ -450,7 +440,7 @@ class FluxDepletionOperator(OpenMCOperator):
                                                         micro_xs.to_numpy())
 
         if units == 'barn':
-            micro_xs /= 1e24
+            micro_xs *= 1e-24
 
         return micro_xs
 
@@ -461,4 +451,4 @@ class FluxDepletionOperator(OpenMCOperator):
         check_iterable_type('reactions', reactions, str)
         check_type('data', data, np.ndarray, expected_iter_type=float)
         for reaction in reactions:
-            check_value('reactions', reaction, valid_rxns)
+            check_value('reactions', reaction, _valid_rxns)
diff --git a/openmc/deplete/openmc_operator.py b/openmc/deplete/openmc_operator.py
index 536f67c4b..0ea1f093c 100644
--- a/openmc/deplete/openmc_operator.py
+++ b/openmc/deplete/openmc_operator.py
@@ -66,16 +66,14 @@ class OpenMCOperator(TransportOperator):
     diff_burnable_mats : bool, optional
         Whether to differentiate burnable materials with multiple instances.
         Volumes are divided equally from the original material volume.
-        Default: False.
     fission_q : dict, optional
         Dictionary of nuclides and their fission Q values [eV].
     dilute_initial : float, optional
         Initial atom density [atoms/cm^3] to add for nuclides that are zero
         in initial condition to ensure they exist in the decay chain.
         Only done for nuclides with reaction rates.
-        Defaults to 1.0e3.
     helper_kwargs : dict
-        Arguments for helper classes
+        Keyword arguments for helper classes
     reduce_chain : bool, optional
         If True, use :meth:`openmc.deplete.Chain.reduce` to reduce the
         depletion chain up to ``reduce_chain_level``. Default is False.
@@ -89,6 +87,10 @@ class OpenMCOperator(TransportOperator):
     ----------
     materials : openmc.Materials
         All materials present in the model
+    cross_sections : str or pandas.DataFrame
+            Path to continuous energy cross section library, or object
+            containing one-group cross-sections.
+
     dilute_initial : float
         Initial atom density [atoms/cm^3] to add for nuclides that
         are zero in initial condition to ensure they exist in the decay
@@ -182,9 +184,9 @@ class OpenMCOperator(TransportOperator):
 
         self._get_helper_classes(helper_kwargs)
 
-    @abstractmethod
     def _differentiate_burnable_mats(self):
         """Assign distribmats for each burnable material"""
+        pass
 
     def _get_burnable_mats(self):
         """Determine depletable materials, volumes, and nuclides
@@ -235,9 +237,9 @@ class OpenMCOperator(TransportOperator):
 
         return burnable_mats, volume, nuclides
 
-    @abstractmethod
     def _load_previous_results(self):
         """Load results from a previous depletion simulation"""
+        pass
 
     @abstractmethod
     def _get_nuclides_with_data(self, cross_sections):
@@ -271,9 +273,7 @@ class OpenMCOperator(TransportOperator):
             Results from a previous depletion calculation
 
         """
-        self.number = AtomNumber(
-            local_mats, all_nuclides, volume, len(
-                self.chain))
+        self.number = AtomNumber(local_mats, all_nuclides, volume, len(self.chain))
 
         if self.dilute_initial != 0.0:
             for nuc in self._burnable_nucs:
@@ -349,20 +349,8 @@ class OpenMCOperator(TransportOperator):
 
         Parameters
         ----------
-        reaction_rate_mode : str
-            Indicates the subclass of :class:`ReactionRateHelper` to
-            instantiate.
-        normalization_mode : str
-            Indicates the subclass of :class:`NormalizationHelper` to
-            instantiate.
-        fission_yield_mode : str
-            Indicates the subclass of :class:`FissionYieldHelper` to instatiate.
-        reaction_rate_opts : dict
-            Keyword arguments that are passed to the :class:`ReactionRateHelper`
-            subclass.
-        fission_yield_opts : dict
-            Keyword arguments that are passed to the :class:`FissionYieldHelper`
-            subclass.
+        helper_kwargs : dict
+            Keyword arguments for helper classes
 
         """
 
@@ -420,6 +408,20 @@ class OpenMCOperator(TransportOperator):
     def _update_materials(self):
         """Updates material compositions in OpenMC on all processes."""
 
+    def write_bos_data(self, step):
+        """Document beginning of step data for a given step
+
+        Called at the beginning of a depletion step and at
+        the final point in the simulation.
+
+        Parameters
+        ----------
+        step : int
+            Current depletion step including restarts
+        """
+        # Since we aren't running a transport simulation, we simply pass
+        pass
+
     def _get_reaction_nuclides(self):
         """Determine nuclides that should be tallied for reaction rates.
 
diff --git a/openmc/deplete/operator.py b/openmc/deplete/operator.py
index c5538712d..9b083ffe9 100644
--- a/openmc/deplete/operator.py
+++ b/openmc/deplete/operator.py
@@ -83,7 +83,6 @@ class Operator(OpenMCOperator):
     diff_burnable_mats : bool, optional
         Whether to differentiate burnable materials with multiple instances.
         Volumes are divided equally from the original material volume.
-        Default: False.
     normalization_mode : {"energy-deposition", "fission-q", "source-rate"}
         Indicate how tally results should be normalized. ``"energy-deposition"``
         computes the total energy deposited in the system and uses the ratio of
@@ -99,7 +98,6 @@ class Operator(OpenMCOperator):
         Initial atom density [atoms/cm^3] to add for nuclides that are zero
         in initial condition to ensure they exist in the decay chain.
         Only done for nuclides with reaction rates.
-        Defaults to 1.0e3.
     fission_yield_mode : {"constant", "cutoff", "average"}
         Key indicating what fission product yield scheme to use. The
         key determines what fission energy helper is used:
@@ -228,11 +226,13 @@ class Operator(OpenMCOperator):
         self.cleanup_when_done = True
 
         helper_kwargs = dict()
-        helper_kwargs['reaction_rate_mode'] = reaction_rate_mode
-        helper_kwargs['normalization_mode'] = normalization_mode
-        helper_kwargs['fission_yield_mode'] = fission_yield_mode
-        helper_kwargs['reaction_rate_opts'] = reaction_rate_opts
-        helper_kwargs['fission_yield_opts'] = fission_yield_opts
+        helper_kwargs = {
+            'reaction_rate_mode': reaction_rate_mode,
+            'normalization_mode': normalization_mode,
+            'fission_yield_mode': fission_yield_mode,
+            'reaction_rate_opts': reaction_rate_opts,
+            'fission_yield_opts': fission_yield_opts
+        }
 
         super().__init__(
             model.materials,
@@ -322,37 +322,21 @@ class Operator(OpenMCOperator):
 
         Parameters
         ----------
-        **kwargs : ...
-        reaction_rate_mode : str
-            Indicates the subclass of :class:`ReactionRateHelper` to
-            instantiate.
-        normalization_mode : str
-            Indicates the subclass of :class:`NormalizationHelper` to
-            instatiate.
-        fission_yield_mode : str
-            Indicates the subclass of :class:`FissionYieldHelper` to instantiate.
-        reaction_rate_opts : dict
-            Keyword arguments that are passed to the :class:`ReactionRateHelper`
-            subclass.
-        fission_yield_opts : dict
-            Keyword arguments that are passed to the :class:`FissionYieldHelper`
-            subclass.
+        helper_kwargs : dict
+            Keyword arguments for helper classes
 
         """
         reaction_rate_mode = helper_kwargs['reaction_rate_mode']
         normalization_mode = helper_kwargs['normalization_mode']
         fission_yield_mode = helper_kwargs['fission_yield_mode']
-        reaction_rate_opts = helper_kwargs['reaction_rate_opts']
-        fission_yield_opts = helper_kwargs['fission_yield_opts']
+        reaction_rate_opts = helper_kwargs.get('reaction_rate_opts', {})
+        fission_yield_opts = helper_kwargs.get('fission_yield_opts', {})
 
         # Get classes to assist working with tallies
         if reaction_rate_mode == "direct":
             self._rate_helper = DirectReactionRateHelper(
                 self.reaction_rates.n_nuc, self.reaction_rates.n_react)
         elif reaction_rate_mode == "flux":
-            if reaction_rate_opts is None:
-                reaction_rate_opts = {}
-
             # Ensure energy group boundaries were specified
             if 'energies' not in reaction_rate_opts:
                 raise ValueError(
@@ -378,8 +362,6 @@ class Operator(OpenMCOperator):
 
         # Select and create fission yield helper
         fission_helper = self._fission_helpers[fission_yield_mode]
-        fission_yield_opts = (
-            {} if fission_yield_opts is None else fission_yield_opts)
         self._yield_helper = fission_helper.from_operator(
             self, **fission_yield_opts)
 
@@ -405,8 +387,7 @@ class Operator(OpenMCOperator):
             openmc.lib.init(intracomm=comm)
 
         # Generate tallies in memory
-        materials = [openmc.lib.materials[int(i)]
-                     for i in self.burnable_mats]
+        materials = [openmc.lib.materials[int(i)] for i in self.burnable_mats]
 
         return super().initial_condition(materials)
 
@@ -500,15 +481,12 @@ class Operator(OpenMCOperator):
                             # negative. CRAM does not guarantee positive
                             # values.
                             if val < -1.0e-21:
-                                print(
-                                    "WARNING: nuclide ",
-                                    nuc,
-                                    " in material ",
-                                    mat,
-                                    " is negative (density = ",
-                                    val,
-                                    " at/barn-cm)")
-                            number_i[mat, nuc] = 0.0
+                                print(f'WARNING: nuclide {nuc} in material'
+                                      f'{mat} is negative (density = {val}'
+
+                                      ' at/barn-cm)')
+
+                                number_i[mat, nuc] = 0.0
 
                 # Update densities on C API side
                 mat_internal = openmc.lib.materials[int(mat)]
diff --git a/tests/unit_tests/test_flux_deplete_operator.py b/tests/unit_tests/test_flux_deplete_operator.py
index 315e22cdc..3ae098490 100644
--- a/tests/unit_tests/test_flux_deplete_operator.py
+++ b/tests/unit_tests/test_flux_deplete_operator.py
@@ -11,7 +11,7 @@ from openmc.deplete.flux_operator import FluxDepletionOperator
 import pandas as pd
 import numpy as np
 
-FLUX_SPECTRA = 5e16
+FLUX = 5e16
 CHAIN_PATH = Path(__file__).parents[1] / "chain_simple.xml"
 ONE_GROUP_XS = Path(__file__).parents[1] / "micro_xs_simple.csv"
 

From 0984b29f67099e876ae97435ba1fa85d7e86d06a Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Thu, 21 Jul 2022 12:14:47 -0500
Subject: [PATCH 0623/2654] add machinery to do constant-power depletion with
 FluxDepletionOperator

---
 openmc/deplete/abc.py             | 10 +++-
 openmc/deplete/atom_number.py     | 17 ++++++
 openmc/deplete/flux_operator.py   | 86 +++++++++++++++++++++++++++----
 openmc/deplete/helpers.py         |  4 +-
 openmc/deplete/openmc_operator.py |  2 +-
 5 files changed, 104 insertions(+), 15 deletions(-)

diff --git a/openmc/deplete/abc.py b/openmc/deplete/abc.py
index 8bbe126df..c00c80399 100644
--- a/openmc/deplete/abc.py
+++ b/openmc/deplete/abc.py
@@ -329,7 +329,7 @@ class NormalizationHelper(ABC):
             `fission_rates` for :meth:`update`.
         """
 
-    def update(self, fission_rates):
+    def update(self, fission_rates, mat_index=None):
         """Update the normalization based on fission rates (only used for
         energy-based normalization)
 
@@ -339,6 +339,8 @@ class NormalizationHelper(ABC):
             fission reaction rate for each isotope in the specified
             material. Should be ordered corresponding to initial
             ``rate_index`` used in :meth:`prepare`
+        mat_index : int
+            Material index
         """
 
     @property
@@ -523,6 +525,8 @@ class Integrator(ABC):
         Power density of the reactor in [W/gHM]. It is multiplied by
         initial heavy metal inventory to get total power if ``power``
         is not speficied.
+    flux : float or iterable of float, optional
+        Neutron flux in [neur/s-cm^2] for each interval in :attr: `timesteps`
     source_rates : float or iterable of float, optional
         Source rate in [neutron/sec] for each interval in :attr:`timesteps`
 
@@ -597,8 +601,10 @@ class Integrator(ABC):
                 source_rates = power_density * operator.heavy_metal
             else:
                 source_rates = [p*operator.heavy_metal for p in power_density]
+        elif flux is not None:
+            source_rates = flux
         elif source_rates is None:
-            raise ValueError("Either power, power_density, or source_rates must be set")
+            raise ValueError("Either power, power_density, flux, or source_rates must be set")
 
         if not isinstance(source_rates, Iterable):
             # Ensure that rate is single value if that is the case
diff --git a/openmc/deplete/atom_number.py b/openmc/deplete/atom_number.py
index 5430ddc35..78ceecca6 100644
--- a/openmc/deplete/atom_number.py
+++ b/openmc/deplete/atom_number.py
@@ -126,6 +126,23 @@ class AtomNumber:
         return [nuc for nuc, ind in self.index_nuc.items()
                 if ind < self.n_nuc_burn]
 
+    def get_mat_volume(self, mat):
+        """Return material volume
+
+        Parameters
+        ----------
+        mat : str, int, openmc.Material, or slice
+            Material index.
+
+        Returns
+        -------
+        float
+            Material volume in [cm^3]
+
+        """
+        mat = self._get_mat_index(mat)
+        return self.volume[mat]
+
     def get_atom_density(self, mat, nuc):
         """Return atom density of given material and nuclide
 
diff --git a/openmc/deplete/flux_operator.py b/openmc/deplete/flux_operator.py
index cfcec242a..9ff0dee5d 100644
--- a/openmc/deplete/flux_operator.py
+++ b/openmc/deplete/flux_operator.py
@@ -54,6 +54,15 @@ class FluxDepletionOperator(OpenMCOperator):
         values will be pulled from the ``chain_file``.
     prev_results : Results, optional
         Results from a previous depletion calculation.
+    normalization_mode : {"constant-power", "constant-flux"}
+        Indicate how reaction rates should be calculated.
+        ``"constant-power"`` uses the fission Q values from the depletion chain to
+        compute the flux based on the power. ``"constant-flux"`` uses the value stored in `_normalization_helper` as the flux.
+    fission_q : dict, optional
+        Dictionary of nuclides and their fission Q values [eV]. If not given,
+        values will be pulled from the ``chain_file``. Only applicable
+        if ``"normalization_mode" == "constant-power"``.
+
     reduce_chain : bool, optional
         If True, use :meth:`openmc.deplete.Chain.reduce` to reduce the
         depletion chain up to ``reduce_chain_level``. Default is False.
@@ -108,6 +117,7 @@ class FluxDepletionOperator(OpenMCOperator):
                  flux,
                  chain_file,
                  keff=None,
+                 normalization_mode = 'constant-flux',
                  fission_q=None,
                  prev_results=None,
                  reduce_chain=False,
@@ -124,7 +134,8 @@ class FluxDepletionOperator(OpenMCOperator):
         self.flux = flux
 
         helper_kwargs = dict()
-        helper_kwargs = {'fission_yield_opts': fission_yield_opts}
+        helper_kwargs = {'normalization_mode': normalization_mode,
+                         'fission_yield_opts': fission_yield_opts}
 
         super().__init__(
             materials,
@@ -152,7 +163,7 @@ class FluxDepletionOperator(OpenMCOperator):
         volume : float
             Volume of the material being depleted in [cm^3]
         nuclides : dict of str to float
-            Dictionary with nuclide names as keys and nuclide concentrations as
+            ,Dictionary with nuclide names as keys and nuclide concentrations as
             values. Nuclide concentration units are [atom/cm^3].
         micro_xs : pandas.DataFrame
             DataFrame with nuclides names as index and microscopic cross section
@@ -164,9 +175,15 @@ class FluxDepletionOperator(OpenMCOperator):
         keff : 2-tuple of float, optional
            keff eigenvalue and uncertainty from transport calculation.
            Default is None.
+        normalization_mode : {"constant-power", "constant-flux"}
+            Indicate how reaction rates should be calculated.
+            ``"constant-power"`` uses the fission Q values from the depletion
+            chain to compute the flux based on the power. ``"constant-flux"``
+            uses the value stored in `_normalization_helper` as the flux.
         fission_q : dict, optional
-            Dictionary of nuclides and their fission Q values [eV]. If not given,
-            values will be pulled from the ``chain_file``.
+            Dictionary of nuclides and their fission Q values [eV]. If not
+            given, values will be pulled from the ``chain_file``. Only
+            applicable if ``"normalization_mode" == "constant-power"``.
         prev_results : Results, optional
             Results from a previous depletion calculation.
         reduce_chain : bool, optional
@@ -215,6 +232,49 @@ class FluxDepletionOperator(OpenMCOperator):
         """Finds nuclides with cross section data"""
         return set(cross_sections.index)
 
+    class _FluxDepletionNormalizationHelper(ChainFissionHelper):
+        """Class for calculating one-group flux
+        based on a power.
+
+        flux = Power / X, where X = volume * sum_i(Q_i * fission_micro_xs_i * density_i)
+
+        Parameters
+        ----------
+        op : openmc.deplete.FluxDepletionOperator
+            Reference to the object encapsulate _FluxDepletionNormalizationHelper.
+            We pass this so we don't have to duplicate the ``number`` object.
+
+        """
+
+        def __init__(self, op):
+            self._op = op
+            rates = self.reaction_rates
+            self.nuc_ind_map = {ind: nuc for nuc, ind in rates.index_nuc.items()}
+            super().__init__()
+
+        def update(self, fission_rates, mat_index=None):
+        """Update 'energy' produced with fission rates in a material. What this
+        actually calculates is the quantity X.
+
+        Parameters
+        ----------
+        fission_rates : numpy.ndarray
+            fission reaction rate for each isotope in the specified
+            material. Should be ordered corresponding to initial
+            ``rate_index`` used in :meth:`prepare`
+        mat_index : int
+            Material index
+
+        """
+            volume = self._op.number.get_mat_volume(mat_index)
+            densities = np.empty(shape(fission_rates))
+            for i_nuc in nuc_ind_map:
+                nuc = self.nuc_ind_map[i_nuc]
+                densities[i_nuc] = self._op.number.get_atom_density(mat_index, nuc)
+            fission_rates = fission_rates * volume * densities
+
+            super.update(fission_rates)
+
     class _FluxDepletionRateHelper(ReactionRateHelper):
         """Class for generating one-group reaction rates with flux and
         one-group cross sections.
@@ -246,11 +306,11 @@ class FluxDepletionOperator(OpenMCOperator):
 
         def __init__(self, n_nuc, n_react, op, nuc_ind_map. rxn_ind_map)
             super().__init__(n_nuc, n_react)
-            self._op = op
-            rates = self.reaction_rates
-            # Get classes to assit working with tallies
+            rates = op.reaction_rates
+
             self.nuc_ind_map = {ind: nuc for nuc, ind in rates.index_nuc.items()}
             self.rxn_ind_map = {ind: rxn for rxn, ind in rates.index_rx.items()}
+            self._op = op
 
         def generate_tallies(self, materials, scores):
             """Unused in this case"""
@@ -269,12 +329,14 @@ class FluxDepletionOperator(OpenMCOperator):
                 Ordering of reactions
             """
             self._results_cache.fill(0.0)
+
+            volume = self._op.number.get_mat_volume(mat_id)
             for i_nuc, i_react in product(nuc_index, react_index):
                 nuc = self.nuc_ind_map[i_nuc]
                 rxn = self.rxn_ind_map[i_react]
                 density = self._op.number.get_atom_density(mat_id, nuc)
                 self._results_cache[i_nuc,
-                                    i_react] = self._op.cross_sections[rxn][nuc] * density
+                                    i_react] = self._op.cross_sections[rxn][nuc] * density * volume
 
             return self._results_cache
 
@@ -286,15 +348,17 @@ class FluxDepletionOperator(OpenMCOperator):
         helper_kwargs : dict
             Keyword arguments for helper classes
 
-
         """
 
+        normalization_mode = helper_kwargs['normalization_mode']
         fission_yield_opts = helper_kwargs.get('fission_yield_opts', {})
 
         self._rate_helper = self._FluxDepletionRateHelper(
             self.reaction_rates.n_nuc, self.reaction_rates.n_react, self)
-
-        self._normalization_helper = SourceRateHelper()
+        if normalization_mode == "constant-power":
+            self._normalization_helper = self.FluxDepletionNormalizationHelper()
+        else:
+            self._normalization_helper = SourceRateHelper()
 
         # Select and create fission yield helper
         fission_helper = ConstantFissionYieldHelper
diff --git a/openmc/deplete/helpers.py b/openmc/deplete/helpers.py
index 33bd182d7..0aaa3b08a 100644
--- a/openmc/deplete/helpers.py
+++ b/openmc/deplete/helpers.py
@@ -423,7 +423,7 @@ class ChainFissionHelper(EnergyNormalizationHelper):
 
         self._fission_q_vector = fission_qs
 
-    def update(self, fission_rates):
+    def update(self, fission_rates, mat_index=None):
         """Update energy produced with fission rates in a material
 
         Parameters
@@ -432,6 +432,8 @@ class ChainFissionHelper(EnergyNormalizationHelper):
             fission reaction rate for each isotope in the specified
             material. Should be ordered corresponding to initial
             ``rate_index`` used in :meth:`prepare`
+        mat_index : int
+            Unused
         """
         self._energy += dot(fission_rates, self._fission_q_vector)
 
diff --git a/openmc/deplete/openmc_operator.py b/openmc/deplete/openmc_operator.py
index 0ea1f093c..aafa1adf9 100644
--- a/openmc/deplete/openmc_operator.py
+++ b/openmc/deplete/openmc_operator.py
@@ -527,7 +527,7 @@ class OpenMCOperator(TransportOperator):
 
             # Accumulate energy from fission
             if fission_ind is not None:
-                self._normalization_helper.update(tally_rates[:, fission_ind])
+                self._normalization_helper.update(tally_rates[:, fission_ind], mat_index=mat_index)
 
             # Divide by total number and store
             rates[i] = self._rate_helper.divide_by_adens(number)

From 2f43656f34305fe8bca3390d22d91c37ce3f2bc0 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Thu, 21 Jul 2022 12:27:36 -0500
Subject: [PATCH 0624/2654] update user guide

---
 docs/source/usersguide/depletion.rst | 18 ++++++++++++++----
 1 file changed, 14 insertions(+), 4 deletions(-)

diff --git a/docs/source/usersguide/depletion.rst b/docs/source/usersguide/depletion.rst
index 4ce495623..4be554b3c 100644
--- a/docs/source/usersguide/depletion.rst
+++ b/docs/source/usersguide/depletion.rst
@@ -188,9 +188,19 @@ Transport-independent depletion
    possible and likely in the near future.
 
 OpenMC supports running depletion calculations independent of the OpenMC
-transport solver using the :class:`~openmc.deplete.FluxDepletionOperator` class. This class
-has two ways to initalize it; the default constructor accepts an 
-:class:`openmc.Materials` object, a flux spectra, and one-group microscopic 
+transport solver using the :class:`~openmc.deplete.FluxDepletionOperator` class.
+This class supports both constant-flux and constant-power depletion.
+
+.. important::
+
+   Make sure you set the correct parameter in the :class:`openmc.abc.Integrator` class. Use the ``flux`` parameter when ``normalization_mode == constant-flux``, and use ``power`` or ``power_density`` when ``normalization_mode == constant-power``.
+
+.. warning::
+
+   The accuracy of results when using ``constant-power`` is entirely dependent on your depletion chain. Make sure it has sufficient data to resolve the dynamics of your particular scenario. 
+
+This class has two ways to initalize it; the default constructor accepts an 
+:class:`openmc.Materials` object and one-group microscopic 
 cross sections as a :class:`pandas.DataFrame`, while the `from_nuclides` 
 method accepts a volume and dictionary of nuclide concentrations in place of
 the :class:`openmc.Materials` object in addition to the other parameters.
@@ -201,7 +211,7 @@ or from data arrays::
     # load in the microscopic cross sections
     micro_xs = FluxDepletionOperator.create_micro_xs_from_csv(micro_xs_path)
     flux = 1.16e15
-    op = FluxDepletionOperator(materials, micro_xs, flux, chain_file)
+    op = FluxDepletionOperator(materials, micro_xs, chain_file)
 
     # alternate construtor
     nuclides = {'U234': 8.92e18,

From 8adefaad71240557974e413af1d597ac6e65878a Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Thu, 21 Jul 2022 12:32:09 -0500
Subject: [PATCH 0625/2654] use source_rate in __call__

---
 openmc/deplete/flux_operator.py | 15 +++------------
 1 file changed, 3 insertions(+), 12 deletions(-)

diff --git a/openmc/deplete/flux_operator.py b/openmc/deplete/flux_operator.py
index 9ff0dee5d..1774eb000 100644
--- a/openmc/deplete/flux_operator.py
+++ b/openmc/deplete/flux_operator.py
@@ -27,11 +27,11 @@ _valid_rxns.append('fission')
 
 
 class FluxDepletionOperator(OpenMCOperator):
-    """Depletion operator that uses a user-provided flux and one-group
+    """Depletion operator that uses one-group
     cross sections to calculate reaction rates.
 
     Instances of this class can be used to perform depletion using one-group
-    cross sections and constant flux. Normally, a user needn't call methods of
+    cross sections and constant flux or constant power. Normally, a user needn't call methods of
     this class directly. Instead, an instance of this class is passed to an
     integrator class, such as :class:`openmc.deplete.CECMIntegrator`.
 
@@ -42,8 +42,6 @@ class FluxDepletionOperator(OpenMCOperator):
     micro_xs : pandas.DataFrame
         DataFrame with nuclides names as index and microscopic cross section
         data in the columns. Cross section units are [cm^-2].
-    flux : float
-        Neutron flux [n cm^-2 s^-1]
     chain_file : str
         Path to the depletion chain XML file.
     keff : 2-tuple of float, optional
@@ -114,7 +112,6 @@ class FluxDepletionOperator(OpenMCOperator):
     def __init__(self,
                  materials,
                  micro_xs,
-                 flux,
                  chain_file,
                  keff=None,
                  normalization_mode = 'constant-flux',
@@ -131,7 +128,6 @@ class FluxDepletionOperator(OpenMCOperator):
             keff = ufloat(*keff)
 
         self._keff = keff
-        self.flux = flux
 
         helper_kwargs = dict()
         helper_kwargs = {'normalization_mode': normalization_mode,
@@ -149,7 +145,6 @@ class FluxDepletionOperator(OpenMCOperator):
 
     @classmethod
     def from_nuclides(cls, volume, nuclides, micro_xs,
-                      flux,
                       chain_file,
                       keff=None,
                       fission_q=None,
@@ -168,8 +163,6 @@ class FluxDepletionOperator(OpenMCOperator):
         micro_xs : pandas.DataFrame
             DataFrame with nuclides names as index and microscopic cross section
             data in the columns. Cross section units are [cm^-2].
-        flux : float
-            Neutron flux [n cm^-2 s^-1]
         chain_file : str
             Path to the depletion chain XML file.
         keff : 2-tuple of float, optional
@@ -203,7 +196,6 @@ class FluxDepletionOperator(OpenMCOperator):
         materials = cls._consolidate_nuclides_to_material(nuclides, volume)
         return cls(materials,
                    micro_xs,
-                   flux,
                    chain_file,
                    keff,
                    fission_q,
@@ -396,8 +388,7 @@ class FluxDepletionOperator(OpenMCOperator):
 
         self._update_materials_and_nuclides(vec)
 
-        # Use the flux as a "source rate"
-        rates = self._calculate_reaction_rates(self.flux)
+        rates = self._calculate_reaction_rates(source_rate)
         keff = self._keff
 
         op_result = OperatorResult(keff, rates)

From d024a3e00842a6535d8d0711a4131e4bee1ee841 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 13 Oct 2021 07:26:43 -0500
Subject: [PATCH 0626/2654] Implementation of C++ Sum1D function

---
 include/openmc/endf.h | 20 ++++++++++++++++++++
 src/endf.cpp          | 26 ++++++++++++++++++++++++++
 2 files changed, 46 insertions(+)

diff --git a/include/openmc/endf.h b/include/openmc/endf.h
index 7beb8e452..e580874b4 100644
--- a/include/openmc/endf.h
+++ b/include/openmc/endf.h
@@ -126,6 +126,26 @@ private:
     debye_waller_; //!< Debye-Waller integral divided by atomic mass in [eV^-1]
 };
 
+//==============================================================================
+//! Sum of multiple 1D functions
+//==============================================================================
+
+class Sum1D : public Function1D {
+public:
+  // Constructors
+  explicit Sum1D(hid_t group);
+
+  //! Evaluate each function and sum results
+  //! \param[in] x independent variable
+  //! \return Function evaluated at x
+  double operator()(double E) const override;
+
+  const unique_ptr<Function1D>& functions(int i) const { return functions_[i]; }
+
+private:
+  vector<unique_ptr<Function1D>> functions_; //!< individual functions
+};
+
 //! Read 1D function from HDF5 dataset
 //! \param[in] group HDF5 group containing dataset
 //! \param[in] name Name of dataset
diff --git a/src/endf.cpp b/src/endf.cpp
index b42c8641d..60db3efa4 100644
--- a/src/endf.cpp
+++ b/src/endf.cpp
@@ -271,4 +271,30 @@ double IncoherentElasticXS::operator()(double E) const
   return bound_xs_ / 2.0 * ((1 - std::exp(-4.0 * E * W)) / (2.0 * E * W));
 }
 
+//==============================================================================
+// Sum1D implementation
+//==============================================================================
+
+Sum1D::Sum1D(hid_t group)
+{
+  // Get number of functions
+  int n;
+  read_attribute(group, "n", n);
+
+  // Get each function
+  for (int i = 0; i < n; ++i) {
+    auto dset_name = fmt::format("func_{}", i + 1);
+    functions_.push_back(read_function(group, dset_name.c_str()));
+  }
+}
+
+double Sum1D::operator()(double x) const
+{
+  double result = 0.0;
+  for (auto& func : functions_) {
+    result += (*func)(x);
+  }
+  return result;
+}
+
 } // namespace openmc

From 8bb2002d8f8bebd58f11d84d88fc88df20552e8d Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 13 Oct 2021 07:27:56 -0500
Subject: [PATCH 0627/2654] Add open_object, close_object functions in HDF5
 interface

---
 include/openmc/hdf5_interface.h |  2 ++
 src/endf.cpp                    | 16 ++++++++--------
 src/hdf5_interface.cpp          | 12 ++++++++++++
 3 files changed, 22 insertions(+), 8 deletions(-)

diff --git a/include/openmc/hdf5_interface.h b/include/openmc/hdf5_interface.h
index e9d9b4f96..0092c08f8 100644
--- a/include/openmc/hdf5_interface.h
+++ b/include/openmc/hdf5_interface.h
@@ -61,6 +61,8 @@ void ensure_exists(hid_t obj_id, const char* name, bool attribute = false);
 vector<std::string> group_names(hid_t group_id);
 vector<hsize_t> object_shape(hid_t obj_id);
 std::string object_name(hid_t obj_id);
+hid_t open_object(hid_t group_id, const std::string& name);
+void close_object(hid_t obj_id);
 
 //==============================================================================
 // Fortran compatibility functions
diff --git a/src/endf.cpp b/src/endf.cpp
index 60db3efa4..3ccfdbd21 100644
--- a/src/endf.cpp
+++ b/src/endf.cpp
@@ -90,23 +90,23 @@ bool is_inelastic_scatter(int mt)
 
 unique_ptr<Function1D> read_function(hid_t group, const char* name)
 {
-  hid_t dset = open_dataset(group, name);
+  hid_t obj_id = open_object(group, name);
   std::string func_type;
-  read_attribute(dset, "type", func_type);
+  read_attribute(obj_id, "type", func_type);
   unique_ptr<Function1D> func;
   if (func_type == "Tabulated1D") {
-    func = make_unique<Tabulated1D>(dset);
+    func = make_unique<Tabulated1D>(obj_id);
   } else if (func_type == "Polynomial") {
-    func = make_unique<Polynomial>(dset);
+    func = make_unique<Polynomial>(obj_id);
   } else if (func_type == "CoherentElastic") {
-    func = make_unique<CoherentElasticXS>(dset);
+    func = make_unique<CoherentElasticXS>(obj_id);
   } else if (func_type == "IncoherentElastic") {
-    func = make_unique<IncoherentElasticXS>(dset);
+    func = make_unique<IncoherentElasticXS>(obj_id);
   } else {
     throw std::runtime_error {"Unknown function type " + func_type +
-                              " for dataset " + object_name(dset)};
+                              " for dataset " + object_name(obj_id)};
   }
-  close_dataset(dset);
+  close_object(obj_id);
   return func;
 }
 
diff --git a/src/hdf5_interface.cpp b/src/hdf5_interface.cpp
index d53ad3879..27b750b93 100644
--- a/src/hdf5_interface.cpp
+++ b/src/hdf5_interface.cpp
@@ -118,6 +118,12 @@ void close_group(hid_t group_id)
     fatal_error("Failed to close group");
 }
 
+void close_object(hid_t obj_id)
+{
+  if (H5Oclose(obj_id) < 0)
+    fatal_error("Failed to close object");
+}
+
 int dataset_ndims(hid_t dset)
 {
   hid_t dspace = H5Dget_space(dset);
@@ -394,6 +400,12 @@ hid_t open_group(hid_t group_id, const char* name)
   return H5Gopen(group_id, name, H5P_DEFAULT);
 }
 
+hid_t open_object(hid_t group_id, const std::string& name)
+{
+  ensure_exists(group_id, name.c_str());
+  return H5Oopen(group_id, name.c_str(), H5P_DEFAULT);
+}
+
 void read_attr(hid_t obj_id, const char* name, hid_t mem_type_id, void* buffer)
 {
   hid_t attr = H5Aopen(obj_id, name, H5P_DEFAULT);

From ce077567aeb621a3b3954150bdbbca702d5da321 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Thu, 21 Jul 2022 14:08:53 -0500
Subject: [PATCH 0628/2654] bugfix in operator.py

---
 openmc/deplete/operator.py | 5 +++++
 1 file changed, 5 insertions(+)

diff --git a/openmc/deplete/operator.py b/openmc/deplete/operator.py
index 9b083ffe9..61573832c 100644
--- a/openmc/deplete/operator.py
+++ b/openmc/deplete/operator.py
@@ -337,6 +337,9 @@ class Operator(OpenMCOperator):
             self._rate_helper = DirectReactionRateHelper(
                 self.reaction_rates.n_nuc, self.reaction_rates.n_react)
         elif reaction_rate_mode == "flux":
+            if reaction_rate_opts is None:
+                reaction_rate_opts = {}
+
             # Ensure energy group boundaries were specified
             if 'energies' not in reaction_rate_opts:
                 raise ValueError(
@@ -362,6 +365,8 @@ class Operator(OpenMCOperator):
 
         # Select and create fission yield helper
         fission_helper = self._fission_helpers[fission_yield_mode]
+        if fission_yield_opts is None:
+            fission_yield_opts = {}
         self._yield_helper = fission_helper.from_operator(
             self, **fission_yield_opts)
 

From 4667cee8b874b9e265482027bf13bf39ac37f786 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Thu, 21 Jul 2022 16:49:19 -0500
Subject: [PATCH 0629/2654] Added helper function to generate one-group cross
 sections

---
 openmc/deplete/flux_operator.py | 106 ++++++++++++++++++++++++++------
 1 file changed, 88 insertions(+), 18 deletions(-)

diff --git a/openmc/deplete/flux_operator.py b/openmc/deplete/flux_operator.py
index 1774eb000..8b4999f23 100644
--- a/openmc/deplete/flux_operator.py
+++ b/openmc/deplete/flux_operator.py
@@ -17,10 +17,11 @@ from uncertainties import ufloat
 import openmc
 from openmc.checkvalue import check_type, check_value, check_iterable_type
 from openmc.mpi import comm
+from openmc.mgxs import EnergyGroups, ArbitraryXS, FissionXS
 from .abc import ReactionRateHelper, OperatorResult
 from .chain import REACTIONS
 from .openmc_operator import OpenMCOperator
-from .helpers import ConstantFissionYieldHelper, SourceRateHelper
+from .helpers import ChainFissionHelper, ConstantFissionYieldHelper, SourceRateHelper
 
 _valid_rxns = list(REACTIONS)
 _valid_rxns.append('fission')
@@ -147,6 +148,7 @@ class FluxDepletionOperator(OpenMCOperator):
     def from_nuclides(cls, volume, nuclides, micro_xs,
                       chain_file,
                       keff=None,
+                      normalization_mode='constant-flux',
                       fission_q=None,
                       prev_results=None,
                       reduce_chain=False,
@@ -197,12 +199,13 @@ class FluxDepletionOperator(OpenMCOperator):
         return cls(materials,
                    micro_xs,
                    chain_file,
-                   keff,
-                   fission_q,
-                   prev_results,
-                   reduce_chain,
-                   reduce_chain_level,
-                   fission_yield_opts)
+                   keff=keff,
+                   normalization_mode=normalization_mode,
+                   fission_q=fission_q,
+                   prev_results=prev_results,
+                   reduce_chain=reduce_chain,
+                   reduce_chain_level=reduce_chain_level,
+                   fission_yield_opts=fission_yield_opts)
 
 
     @staticmethod
@@ -245,17 +248,17 @@ class FluxDepletionOperator(OpenMCOperator):
             super().__init__()
 
         def update(self, fission_rates, mat_index=None):
-        """Update 'energy' produced with fission rates in a material. What this
-        actually calculates is the quantity X.
+            """Update 'energy' produced with fission rates in a material. What
+            this actually calculates is the quantity X.
 
-        Parameters
-        ----------
-        fission_rates : numpy.ndarray
-            fission reaction rate for each isotope in the specified
-            material. Should be ordered corresponding to initial
-            ``rate_index`` used in :meth:`prepare`
-        mat_index : int
-            Material index
+            Parameters
+            ----------
+            fission_rates : numpy.ndarray
+                fission reaction rate for each isotope in the specified
+                material. Should be ordered corresponding to initial
+                ``rate_index`` used in :meth:`prepare`
+            mat_index : int
+                Material index
 
         """
             volume = self._op.number.get_mat_volume(mat_index)
@@ -296,7 +299,7 @@ class FluxDepletionOperator(OpenMCOperator):
 
         """
 
-        def __init__(self, n_nuc, n_react, op, nuc_ind_map. rxn_ind_map)
+        def __init__(self, n_nuc, n_react, op):
             super().__init__(n_nuc, n_react)
             rates = op.reaction_rates
 
@@ -354,6 +357,8 @@ class FluxDepletionOperator(OpenMCOperator):
 
         # Select and create fission yield helper
         fission_helper = ConstantFissionYieldHelper
+        if fission_yield_opts is None:
+            fission_yield_opts = {}
         self._yield_helper = fission_helper.from_operator(
             self, **fission_yield_opts)
 
@@ -507,3 +512,68 @@ class FluxDepletionOperator(OpenMCOperator):
         check_type('data', data, np.ndarray, expected_iter_type=float)
         for reaction in reactions:
             check_value('reactions', reaction, _valid_rxns)
+
+
+    @staticmethod
+    def generate_1g_cross_sections(model, reaction_domain, reactions=['(n,gamma)', '(n,2n)', '(n,p)', '(n,a)', '(n,3n)', '(n,4n)', 'fission'],  energy_bounds=(0, 20e6), write_to_csv=True, filename='micro_xs.csv'):
+        """Helper function to generate a one-group cross-section dataframe
+        using OpenMC. Note that the ``openmc`` C executable must be compiled.
+
+        Parameters
+        ----------
+        model : openmc.model.Model
+            OpenMC model object. Must contain geometry, materials, and settings.
+        reaction_domain : openmc.Material or openmc.Cell or openmc.Universe or openmc.RegularMesh
+            Domain in which to tally reaction rates.
+        reactions : list of str, optional
+            Reaction names to tally
+        energy_bound : 2-tuple of float, optional
+            Bounds for the energy group.
+        write_to_csv : bool, optional
+            Option to write the DataFrame to a `.csv` file. If `False`,
+            returns the dataframe object.
+        filename : str
+            Name for csv file. Only applicable if ``write_to_csv == True``
+
+        Returns
+        -------
+        None or pandas.DataFrame
+
+        """
+        groups = EnergyGroups()
+        groups.group_edges = np.array(list(energy_bounds))
+
+        # Set up the reaction tallies
+        tallies = openmc.Tallies()
+        xs = dict()
+        for rxn in reactions:
+            if rxn == 'fission':
+                xs[rxn] = FissionXS(domain=reaction_domain, groups=groups, by_nuclide=True)
+            else:
+                xs[rxn] = ArbitraryXS(rxn, domain=reaction_domain, groups=groups, by_nuclide=True)
+            tallies += xs[rxn].tallies.values()
+
+        model.tallies = tallies
+        statepoint_path = model.run()
+
+        sp = openmc.StatePoint(statepoint_path)
+
+        for rxn in xs:
+            xs[rxn].load_from_statepoint(sp)
+
+        sp.close()
+
+        # Build the DataFrame
+        micro_xs = pd.DataFrame()
+        for rxn in xs:
+            df = xs[rxn].get_pandas_dataframe(xs_type='micro')
+            df.index = df['nuclide']
+            df.drop(['nuclide', xs[rxn].domain_type, 'group in', 'std. dev.'], axis=1, inplace=True)
+            df.rename({'mean':rxn}, axis=1, inplace=True)
+            micro_xs = pd.concat([micro_xs, df], axis=1)
+
+        if write_to_csv:
+            micro_xs.to_csv(filename)
+            return None
+        else:
+            return micro_xs

From ef238b4a4fd3034c5bf6be3238b58322bc9fb8e9 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Thu, 21 Jul 2022 16:50:29 -0500
Subject: [PATCH 0630/2654] test_flux_deplete_operator.py ->
 test_deplete_flux_operator.py

---
 ...est_flux_deplete_operator.py => test_deplete_flux_operator.py} | 0
 1 file changed, 0 insertions(+), 0 deletions(-)
 rename tests/unit_tests/{test_flux_deplete_operator.py => test_deplete_flux_operator.py} (100%)

diff --git a/tests/unit_tests/test_flux_deplete_operator.py b/tests/unit_tests/test_deplete_flux_operator.py
similarity index 100%
rename from tests/unit_tests/test_flux_deplete_operator.py
rename to tests/unit_tests/test_deplete_flux_operator.py

From 34598609b805f8bc6566c654c57b587c36fee069 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Thu, 21 Jul 2022 17:24:16 -0500
Subject: [PATCH 0631/2654] add flux parameter to Integrator.__init__ signature

---
 openmc/deplete/abc.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/deplete/abc.py b/openmc/deplete/abc.py
index c00c80399..c9e0d566b 100644
--- a/openmc/deplete/abc.py
+++ b/openmc/deplete/abc.py
@@ -579,7 +579,7 @@ class Integrator(ABC):
     """
 
     def __init__(self, operator, timesteps, power=None, power_density=None,
-                 source_rates=None, timestep_units='s', solver="cram48"):
+                 flux=None, source_rates=None, timestep_units='s', solver="cram48"):
         # Check number of stages previously used
         if operator.prev_res is not None:
             res = operator.prev_res[-1]

From 61b1d82544fc95ce30a40f25eceffac7e17e3b07 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Thu, 21 Jul 2022 17:25:05 -0500
Subject: [PATCH 0632/2654] update test suite

---
 .../deplete_no_transport/test.py              |  20 ++++++++++++------
 ...nce.h5 => test_reference_constant_flux.h5} | Bin 35688 -> 35688 bytes
 .../test_reference_constant_power.h5          | Bin 0 -> 35688 bytes
 .../unit_tests/test_deplete_flux_operator.py  |   5 +++--
 4 files changed, 17 insertions(+), 8 deletions(-)
 rename tests/regression_tests/deplete_no_transport/{test_reference.h5 => test_reference_constant_flux.h5} (99%)
 create mode 100644 tests/regression_tests/deplete_no_transport/test_reference_constant_power.h5

diff --git a/tests/regression_tests/deplete_no_transport/test.py b/tests/regression_tests/deplete_no_transport/test.py
index f82a342cf..3a9fbe135 100644
--- a/tests/regression_tests/deplete_no_transport/test.py
+++ b/tests/regression_tests/deplete_no_transport/test.py
@@ -33,8 +33,12 @@ def vol_nuc():
     return (fuel.volume, nuclides)
 
 
-@pytest.mark.parametrize("multiproc", [True, False])
-def test_no_transport(run_in_tmpdir, vol_nuc, multiproc):
+@pytest.mark.parametrize("multiproc, normalization_mode, power, flux", [
+    (True, 'constant-flux', None, 1164719970082145.0),
+    (False, 'constant-flux', None, 1164719970082145.0),
+    (True, 'constant-power', 174, None),
+    (False, 'constant-power', 174, None)])
+def test_no_transport_constant_flux(run_in_tmpdir, vol_nuc, multiproc):
     """Transport free system test suite.
 
     Runs an OpenMC transport-free depletion calculation and verifies
@@ -46,22 +50,26 @@ def test_no_transport(run_in_tmpdir, vol_nuc, multiproc):
     micro_xs_file = Path(__file__).parents[2] / 'micro_xs_simple.csv'
     micro_xs = FluxDepletionOperator.create_micro_xs_from_csv(micro_xs_file)
     chain_file = Path(__file__).parents[2] / 'chain_simple.xml'
-    flux = 1164719970082145.0  # flux from pincell example
     op = FluxDepletionOperator.from_nuclides(
-        vol_nuc[0], vol_nuc[1], micro_xs, flux, chain_file)
+        vol_nuc[0], vol_nuc[1], micro_xs, chain_file, normalization_mode=normalization_mode)
 
     # Power and timesteps
     dt = [30]  # single step
+    flux = 1164719970082145.0  # n/cm^2-s, flux from pincell example
     power = 174  # W/cm
 
     # Perform simulation using the predictor algorithm
     openmc.deplete.pool.USE_MULTIPROCESSING = multiproc
     openmc.deplete.PredictorIntegrator(
-        op, dt, power, timestep_units='d').integrate()
+        op, dt, power=power, flux=flux, timestep_units='d').integrate()
 
     # Get path to test and reference results
     path_test = op.output_dir / 'depletion_results.h5'
-    path_reference = Path(__file__).with_name('test_reference.h5')
+    if flux is None:
+        ref_path = 'test_reference_constant_flux.h5'
+    else:
+        ref_path = 'test_reference_constant_power.h5'
+    path_reference = Path(__file__).with_name(ref_path)
 
     # If updating results, do so and return
     if config['update']:
diff --git a/tests/regression_tests/deplete_no_transport/test_reference.h5 b/tests/regression_tests/deplete_no_transport/test_reference_constant_flux.h5
similarity index 99%
rename from tests/regression_tests/deplete_no_transport/test_reference.h5
rename to tests/regression_tests/deplete_no_transport/test_reference_constant_flux.h5
index 55675f9d082cd29b63a028131888b31f384f5418..1f4319b3e576dbb6ad692f8452e74c69e21c574d 100644
GIT binary patch
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diff --git a/tests/regression_tests/deplete_no_transport/test_reference_constant_power.h5 b/tests/regression_tests/deplete_no_transport/test_reference_constant_power.h5
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diff --git a/tests/unit_tests/test_deplete_flux_operator.py b/tests/unit_tests/test_deplete_flux_operator.py
index 3ae098490..b7a225398 100644
--- a/tests/unit_tests/test_deplete_flux_operator.py
+++ b/tests/unit_tests/test_deplete_flux_operator.py
@@ -11,7 +11,6 @@ from openmc.deplete.flux_operator import FluxDepletionOperator
 import pandas as pd
 import numpy as np
 
-FLUX = 5e16
 CHAIN_PATH = Path(__file__).parents[1] / "chain_simple.xml"
 ONE_GROUP_XS = Path(__file__).parents[1] / "micro_xs_simple.csv"
 
@@ -62,6 +61,7 @@ def test_create_micro_xs_from_csv():
 def test_operator_init():
     """The test uses a temporary dummy chain. This file will be removed
     at the end of the test, and only contains a depletion_chain node."""
+    volume = 1
     nuclides = {'U234': 8.922411359424315e+18,
                 'U235': 9.98240191860822e+20,
                 'U238': 2.2192386373095893e+22,
@@ -70,4 +70,5 @@ def test_operator_init():
                 'O17': 1.7588724018066158e+19}
     micro_xs = FluxDepletionOperator.create_micro_xs_from_csv(ONE_GROUP_XS)
     nuclide_flux_operator = FluxDepletionOperator.from_nuclides(
-        1, nuclides, micro_xs, FLUX_SPECTRA, CHAIN_PATH)
+        volume, nuclides, micro_xs, CHAIN_PATH)
+    nuclide_flux_operator = FluxDepletionOperator(materials, micro_xs, CHAIN_PATH)

From f4aefa9db63f54ea97a7e9f4587260a2de80baf4 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Thu, 21 Jul 2022 17:27:08 -0500
Subject: [PATCH 0633/2654] added function to help users create one-group cross
 sections; typo and bug fixes

---
 openmc/deplete/flux_operator.py | 12 ++++++------
 1 file changed, 6 insertions(+), 6 deletions(-)

diff --git a/openmc/deplete/flux_operator.py b/openmc/deplete/flux_operator.py
index 8b4999f23..615fa090d 100644
--- a/openmc/deplete/flux_operator.py
+++ b/openmc/deplete/flux_operator.py
@@ -242,9 +242,9 @@ class FluxDepletionOperator(OpenMCOperator):
         """
 
         def __init__(self, op):
-            self._op = op
-            rates = self.reaction_rates
+            rates = op.reaction_rates
             self.nuc_ind_map = {ind: nuc for nuc, ind in rates.index_nuc.items()}
+            self._op = op
             super().__init__()
 
         def update(self, fission_rates, mat_index=None):
@@ -262,13 +262,13 @@ class FluxDepletionOperator(OpenMCOperator):
 
         """
             volume = self._op.number.get_mat_volume(mat_index)
-            densities = np.empty(shape(fission_rates))
-            for i_nuc in nuc_ind_map:
+            densities = np.empty(np.shape(fission_rates))
+            for i_nuc in self.nuc_ind_map:
                 nuc = self.nuc_ind_map[i_nuc]
                 densities[i_nuc] = self._op.number.get_atom_density(mat_index, nuc)
             fission_rates = fission_rates * volume * densities
 
-            super.update(fission_rates)
+            super().update(fission_rates)
 
     class _FluxDepletionRateHelper(ReactionRateHelper):
         """Class for generating one-group reaction rates with flux and
@@ -351,7 +351,7 @@ class FluxDepletionOperator(OpenMCOperator):
         self._rate_helper = self._FluxDepletionRateHelper(
             self.reaction_rates.n_nuc, self.reaction_rates.n_react, self)
         if normalization_mode == "constant-power":
-            self._normalization_helper = self.FluxDepletionNormalizationHelper()
+            self._normalization_helper = self._FluxDepletionNormalizationHelper(self)
         else:
             self._normalization_helper = SourceRateHelper()
 

From cc871495268c71127396d12f02175928f6a6e877 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Thu, 21 Jul 2022 17:39:26 -0500
Subject: [PATCH 0634/2654] Add function to load previous results

---
 openmc/deplete/flux_operator.py | 21 +++++++++++++++++----
 1 file changed, 17 insertions(+), 4 deletions(-)

diff --git a/openmc/deplete/flux_operator.py b/openmc/deplete/flux_operator.py
index 615fa090d..55888b233 100644
--- a/openmc/deplete/flux_operator.py
+++ b/openmc/deplete/flux_operator.py
@@ -48,9 +48,6 @@ class FluxDepletionOperator(OpenMCOperator):
     keff : 2-tuple of float, optional
        keff eigenvalue and uncertainty from transport calculation.
        Default is None.
-    fission_q : dict, optional
-        Dictionary of nuclides and their fission Q values [eV]. If not given,
-        values will be pulled from the ``chain_file``.
     prev_results : Results, optional
         Results from a previous depletion calculation.
     normalization_mode : {"constant-power", "constant-flux"}
@@ -61,7 +58,6 @@ class FluxDepletionOperator(OpenMCOperator):
         Dictionary of nuclides and their fission Q values [eV]. If not given,
         values will be pulled from the ``chain_file``. Only applicable
         if ``"normalization_mode" == "constant-power"``.
-
     reduce_chain : bool, optional
         If True, use :meth:`openmc.deplete.Chain.reduce` to reduce the
         depletion chain up to ``reduce_chain_level``. Default is False.
@@ -223,6 +219,23 @@ class FluxDepletionOperator(OpenMCOperator):
 
         return openmc.Materials([mat])
 
+    def _load_previous_results(self):
+        """Load results from a previous depletion simulation"""
+        # Reload volumes into geometry
+        self.prev_res[-1].transfer_volumes(self.materials)
+
+        # Store previous results in operator
+        # Distribute reaction rates according to those tracked
+        # on this process
+        if comm.size != 1:
+            prev_results = self.prev_res
+            self.prev_res = Results()
+            mat_indexes = _distribute(range(len(self.burnable_mats)))
+            for res_obj in prev_results:
+                new_res = res_obj.distribute(self.local_mats, mat_indexes)
+                self.prev_res.append(new_res)
+
+
     def _get_nuclides_with_data(self, cross_sections):
         """Finds nuclides with cross section data"""
         return set(cross_sections.index)

From 657a94b0c10bb137dfa6bd58274ac363c726d536 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Thu, 21 Jul 2022 17:43:37 -0500
Subject: [PATCH 0635/2654] clean up docs for micro_xs helper functions

---
 openmc/deplete/flux_operator.py | 10 ++++++----
 1 file changed, 6 insertions(+), 4 deletions(-)

diff --git a/openmc/deplete/flux_operator.py b/openmc/deplete/flux_operator.py
index 55888b233..974255753 100644
--- a/openmc/deplete/flux_operator.py
+++ b/openmc/deplete/flux_operator.py
@@ -463,12 +463,13 @@ class FluxDepletionOperator(OpenMCOperator):
             Array containing one-group microscopic cross section information for each
             nuclide and reaction.
         units : {'barn', 'cm^2'}, optional
-            Units for microscopic cross section data. Defaults to ``barn``.
+            Units of cross section values in ``data`` array. Defaults to ``barn``.
 
         Returns
         -------
         micro_xs : pandas.DataFrame
-            A DataFrame object correctly formatted for use in ``FluxOperator``
+            A DataFrame object correctly formatted for use in ``FluxOperator``.
+            Cross section data is in [cm^2]
         """
 
         # Validate inputs
@@ -498,12 +499,13 @@ class FluxDepletionOperator(OpenMCOperator):
             Relative path to csv-file containing microscopic cross section
             data.
         units : {'barn', 'cm^2'}, optional
-            Units for microscopic cross section data. Defaults to ``barn``.
+            Units of cross section values in the ``.csv`` file array. Defaults to ``barn``.
 
         Returns
         -------
         micro_xs : pandas.DataFrame
-            A DataFrame object correctly formatted for use in ``FluxOperator``
+            A DataFrame object correctly formatted for use in ``FluxOperator``.
+            Cross section data is in [cm^2]
 
         """
         micro_xs = pd.read_csv(csv_file, index_col=0)

From 018ed9f58a0c98525f981a18bc04a873ea965988 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Thu, 21 Jul 2022 17:47:50 -0500
Subject: [PATCH 0636/2654] add flux parameter to SII integrator

---
 openmc/deplete/abc.py | 10 ++++++----
 1 file changed, 6 insertions(+), 4 deletions(-)

diff --git a/openmc/deplete/abc.py b/openmc/deplete/abc.py
index c9e0d566b..24859151f 100644
--- a/openmc/deplete/abc.py
+++ b/openmc/deplete/abc.py
@@ -526,9 +526,9 @@ class Integrator(ABC):
         initial heavy metal inventory to get total power if ``power``
         is not speficied.
     flux : float or iterable of float, optional
-        Neutron flux in [neur/s-cm^2] for each interval in :attr: `timesteps`
+        neutron flux in [neut/s-cm^2] for each interval in :attr:`timesteps`
     source_rates : float or iterable of float, optional
-        Source rate in [neutron/sec] for each interval in :attr:`timesteps`
+        source rate in [neutron/sec] for each interval in :attr:`timesteps`
 
         .. versionadded:: 0.12.1
     timestep_units : {'s', 'min', 'h', 'd', 'MWd/kg'}
@@ -866,6 +866,8 @@ class SIIntegrator(Integrator):
         Power density of the reactor in [W/gHM]. It is multiplied by
         initial heavy metal inventory to get total power if ``power``
         is not speficied.
+    flux : float or iterable of float, optional
+        neutron flux in [neut/s-cm^2] for each interval in :attr:`timesteps`
     source_rates : float or iterable of float, optional
         Source rate in [neutron/sec] for each interval in :attr:`timesteps`
 
@@ -922,12 +924,12 @@ class SIIntegrator(Integrator):
     """
 
     def __init__(self, operator, timesteps, power=None, power_density=None,
-                 source_rates=None, timestep_units='s', n_steps=10,
+                 flux=None, source_rates=None, timestep_units='s', n_steps=10,
                  solver="cram48"):
         check_type("n_steps", n_steps, Integral)
         check_greater_than("n_steps", n_steps, 0)
         super().__init__(
-            operator, timesteps, power, power_density, source_rates,
+            operator, timesteps, power, power_density, flux, source_rates,
             timestep_units=timestep_units, solver=solver)
         self.n_steps = n_steps
 

From 18cc291c9db8845781b66bfa0ee234ad0adf0497 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Thu, 21 Jul 2022 17:52:18 -0500
Subject: [PATCH 0637/2654] formatting adjustment in usersguide

---
 docs/source/usersguide/depletion.rst | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/docs/source/usersguide/depletion.rst b/docs/source/usersguide/depletion.rst
index 4be554b3c..e95e098c4 100644
--- a/docs/source/usersguide/depletion.rst
+++ b/docs/source/usersguide/depletion.rst
@@ -199,9 +199,9 @@ This class supports both constant-flux and constant-power depletion.
 
    The accuracy of results when using ``constant-power`` is entirely dependent on your depletion chain. Make sure it has sufficient data to resolve the dynamics of your particular scenario. 
 
-This class has two ways to initalize it; the default constructor accepts an 
+This class has two ways to initalize it: the default constructor accepts an 
 :class:`openmc.Materials` object and one-group microscopic 
-cross sections as a :class:`pandas.DataFrame`, while the `from_nuclides` 
+cross sections as a :class:`pandas.DataFrame`, while the ``from_nuclides``
 method accepts a volume and dictionary of nuclide concentrations in place of
 the :class:`openmc.Materials` object in addition to the other parameters.
 The class includes helper functions to construct the dataframe from a csv file

From 5d004230f47018f4a4612aa6182833f5811b0075 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Thu, 21 Jul 2022 19:15:52 -0500
Subject: [PATCH 0638/2654] added refernce libraries for each case

---
 .../test_reference_constant_flux.h5           | Bin 35688 -> 35688 bytes
 .../test_reference_constant_power.h5          | Bin 35688 -> 35688 bytes
 2 files changed, 0 insertions(+), 0 deletions(-)

diff --git a/tests/regression_tests/deplete_no_transport/test_reference_constant_flux.h5 b/tests/regression_tests/deplete_no_transport/test_reference_constant_flux.h5
index 1f4319b3e576dbb6ad692f8452e74c69e21c574d..ff75648b8a3f02225665861a54d03d3acc53ee32 100644
GIT binary patch
delta 22
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diff --git a/tests/regression_tests/deplete_no_transport/test_reference_constant_power.h5 b/tests/regression_tests/deplete_no_transport/test_reference_constant_power.h5
index 2c04addfbf4a1be16e5144fed5caad5ea1a57f06..c6e1a40808c135aafe1065b2cc95357c3fede0a2 100644
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From 8ec8826ed8a2b150e89e10720bd33699f063f389 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Thu, 21 Jul 2022 19:19:51 -0500
Subject: [PATCH 0639/2654] fix regression test

---
 .../deplete_no_transport/test.py              | 49 ++++++++++---------
 1 file changed, 25 insertions(+), 24 deletions(-)

diff --git a/tests/regression_tests/deplete_no_transport/test.py b/tests/regression_tests/deplete_no_transport/test.py
index 3a9fbe135..9ae0f84f4 100644
--- a/tests/regression_tests/deplete_no_transport/test.py
+++ b/tests/regression_tests/deplete_no_transport/test.py
@@ -17,46 +17,52 @@ from tests.regression_tests import config
 
 
 @pytest.fixture(scope="module")
-def vol_nuc():
+def fuel():
     fuel = openmc.Material(name="uo2")
     fuel.add_element("U", 1, percent_type="ao", enrichment=4.25)
     fuel.add_element("O", 2)
     fuel.set_density("g/cc", 10.4)
+    fuel.depletable=True
 
     fuel.volume = np.pi * 0.42 ** 2
 
-    nuclides = {}
-    for nuc, dens in fuel.get_nuclide_atom_densities().items():
-        nuclides[nuc] = dens * 1e24
-
-    # Load geometry from example
-    return (fuel.volume, nuclides)
+    return fuel
 
 
-@pytest.mark.parametrize("multiproc, normalization_mode, power, flux", [
-    (True, 'constant-flux', None, 1164719970082145.0),
-    (False, 'constant-flux', None, 1164719970082145.0),
-    (True, 'constant-power', 174, None),
-    (False, 'constant-power', 174, None)])
-def test_no_transport_constant_flux(run_in_tmpdir, vol_nuc, multiproc):
+@pytest.mark.parametrize("multiproc, from_nuclides, normalization_mode, power, flux", [
+    (True, True,'constant-flux', None, 1164719970082145.0),
+    (False, True, 'constant-flux', None, 1164719970082145.0),
+    (True, True, 'constant-power', 174, None),
+    (False, True, 'constant-power', 174, None),
+    (True, False,'constant-flux', None, 1164719970082145.0),
+    (False, False, 'constant-flux', None, 1164719970082145.0),
+    (True, False, 'constant-power', 174, None),
+    (False, False, 'constant-power', 174, None)])
+def test_no_transport_from_nuclides(run_in_tmpdir, fuel, multiproc, from_nuclides, normalization_mode, power, flux):
     """Transport free system test suite.
 
     Runs an OpenMC transport-free depletion calculation and verifies
     that the outputs match a reference file.
 
     """
-
     # Create operator
     micro_xs_file = Path(__file__).parents[2] / 'micro_xs_simple.csv'
     micro_xs = FluxDepletionOperator.create_micro_xs_from_csv(micro_xs_file)
     chain_file = Path(__file__).parents[2] / 'chain_simple.xml'
-    op = FluxDepletionOperator.from_nuclides(
-        vol_nuc[0], vol_nuc[1], micro_xs, chain_file, normalization_mode=normalization_mode)
+
+    if from_nuclides:
+        nuclides = {}
+        for nuc, dens in fuel.get_nuclide_atom_densities().items():
+            nuclides[nuc] = dens * 1e24
+
+        op = FluxDepletionOperator.from_nuclides(
+            fuel.volume, nuclides, micro_xs, chain_file, normalization_mode=normalization_mode)
+
+    else:
+        op = FluxDepletionOperator(openmc.Materials([fuel]), micro_xs, chain_file, normalization_mode=normalization_mode)
 
     # Power and timesteps
     dt = [30]  # single step
-    flux = 1164719970082145.0  # n/cm^2-s, flux from pincell example
-    power = 174  # W/cm
 
     # Perform simulation using the predictor algorithm
     openmc.deplete.pool.USE_MULTIPROCESSING = multiproc
@@ -65,17 +71,12 @@ def test_no_transport_constant_flux(run_in_tmpdir, vol_nuc, multiproc):
 
     # Get path to test and reference results
     path_test = op.output_dir / 'depletion_results.h5'
-    if flux is None:
+    if flux is not None:
         ref_path = 'test_reference_constant_flux.h5'
     else:
         ref_path = 'test_reference_constant_power.h5'
     path_reference = Path(__file__).with_name(ref_path)
 
-    # If updating results, do so and return
-    if config['update']:
-        shutil.copyfile(str(path_test), str(path_reference))
-        return
-
     # Load the reference/test results
     res_test = openmc.deplete.Results(path_test)
     res_ref = openmc.deplete.Results(path_reference)

From 8102226e7055d5391910e406fcda4460d9544ecb Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Thu, 21 Jul 2022 20:27:52 -0500
Subject: [PATCH 0640/2654] fix unit test

---
 tests/unit_tests/test_deplete_flux_operator.py | 9 +++++++++
 1 file changed, 9 insertions(+)

diff --git a/tests/unit_tests/test_deplete_flux_operator.py b/tests/unit_tests/test_deplete_flux_operator.py
index b7a225398..9019d123d 100644
--- a/tests/unit_tests/test_deplete_flux_operator.py
+++ b/tests/unit_tests/test_deplete_flux_operator.py
@@ -8,6 +8,7 @@ from pathlib import Path
 
 import pytest
 from openmc.deplete.flux_operator import FluxDepletionOperator
+from openmc import Material, Materials
 import pandas as pd
 import numpy as np
 
@@ -71,4 +72,12 @@ def test_operator_init():
     micro_xs = FluxDepletionOperator.create_micro_xs_from_csv(ONE_GROUP_XS)
     nuclide_flux_operator = FluxDepletionOperator.from_nuclides(
         volume, nuclides, micro_xs, CHAIN_PATH)
+
+    fuel = Material(name="uo2")
+    fuel.add_element("U", 1, percent_type="ao", enrichment=4.25)
+    fuel.add_element("O", 2)
+    fuel.set_density("g/cc", 10.4)
+    fuel.depletable=True
+    fuel.volume = 1
+    materials = Materials([fuel])
     nuclide_flux_operator = FluxDepletionOperator(materials, micro_xs, CHAIN_PATH)

From 8cc815d4f2ebf56460f0f0f6f9195bf46afc968a Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 21 Jul 2022 22:24:17 -0500
Subject: [PATCH 0641/2654] Add numpy arrays to a list so they persist to the
 time of the VTK write

---
 openmc/mesh.py | 6 ++++--
 1 file changed, 4 insertions(+), 2 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 1fe5429d0..d08213f77 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -248,8 +248,10 @@ class StructuredMesh(MeshBase):
 
         # create VTK arrays for each of
         # the data sets
+        datasets_out = []
         for label, dataset in datasets.items():
             dataset = np.asarray(dataset).flatten()
+            datasets_out.append(dataset)
 
             if volume_normalization:
                 dataset /= self.volumes.flatten()
@@ -692,7 +694,7 @@ class RegularMesh(StructuredMesh):
         root_cell.fill = lattice
 
         return root_cell, cells
-    
+
     def write_data_to_vtk(self, filename, datasets, volume_normalization=True):
         """Creates a VTK object of the mesh
 
@@ -1605,7 +1607,7 @@ class UnstructuredMesh(MeshBase):
         Raises
         ------
             RuntimeError
-                when the size of a dataset doesn't match the number of cells 
+                when the size of a dataset doesn't match the number of cells
         """
 
         import vtk

From ff5490e3ba432209a95cb75ce07d21b167f90efd Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <drshimwell@gmail.com>
Date: Fri, 22 Jul 2022 08:01:28 +0100
Subject: [PATCH 0642/2654] User able to set bounding cell id

---
 openmc/universe.py | 10 ++++++++--
 1 file changed, 8 insertions(+), 2 deletions(-)

diff --git a/openmc/universe.py b/openmc/universe.py
index 5bcbfde46..fe41674d5 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -767,19 +767,25 @@ class DAGMCUniverse(UniverseBase):
 
             return +lower_x & -upper_x & +lower_y & -upper_y & +lower_z & -upper_z
 
-    def bounded_universe(self, **kwargs):
+    def bounded_universe(self, bounding_cell_id=10000, **kwargs):
         """Returns an openmc.Universe filled with this DAGMCUniverse and bounded
         with a cell. Defaults to a box cell with a vacuum surface however this
         can be changed using the kwargs which are passed directly to
         DAGMCUniverse.bounding_region().
 
+        Parameters
+        ----------
+        bounding_cell_id : int
+            The cell ID number to use for the bounding cell, defaults to 1000 to reduce
+            the chance of overlapping ID numbers with the DAGMC geometry.
+
         Returns
         -------
         openmc.Universe
             Universe instance
         """
 
-        bounding_cell = openmc.Cell(fill=self, region=self.bounding_region(**kwargs))
+        bounding_cell = openmc.Cell(fill=self, id=bounding_cell_id, region=self.bounding_region(**kwargs))
         return openmc.Universe(cells=[bounding_cell])
 
     @classmethod

From f0cda31e73311a2673bc7fb0dac698f396cf2933 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <drshimwell@gmail.com>
Date: Fri, 22 Jul 2022 10:45:15 +0100
Subject: [PATCH 0643/2654] corrected arg name

---
 openmc/universe.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/universe.py b/openmc/universe.py
index fe41674d5..78f75bbfc 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -785,7 +785,7 @@ class DAGMCUniverse(UniverseBase):
             Universe instance
         """
 
-        bounding_cell = openmc.Cell(fill=self, id=bounding_cell_id, region=self.bounding_region(**kwargs))
+        bounding_cell = openmc.Cell(fill=self, cell_id =bounding_cell_id, region=self.bounding_region(**kwargs))
         return openmc.Universe(cells=[bounding_cell])
 
     @classmethod

From e453901c84e57eca983a52124e7dc903b06dfb00 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 13 Oct 2021 07:28:35 -0500
Subject: [PATCH 0644/2654] Implement to/from_hdf5 methods for Python Sum class

---
 openmc/data/function.py | 39 +++++++++++++++++++++++++++++++++++++++
 src/endf.cpp            |  2 ++
 2 files changed, 41 insertions(+)

diff --git a/openmc/data/function.py b/openmc/data/function.py
index b5aa2117d..7a73987df 100644
--- a/openmc/data/function.py
+++ b/openmc/data/function.py
@@ -578,6 +578,45 @@ class Sum(EqualityMixin):
         cv.check_type('functions', functions, Iterable, Callable)
         self._functions = functions
 
+    def to_hdf5(self, group, name='xy'):
+        """Write sum of functions to an HDF5 group
+
+        Parameters
+        ----------
+        group : h5py.Group
+            HDF5 group to write to
+        name : str
+            Name of the dataset to create
+
+        """
+        sum_group = group.create_group(name)
+        sum_group.attrs['type'] = np.string_(type(self).__name__)
+        sum_group.attrs['n'] = len(self.functions)
+        for i, f in enumerate(self.functions):
+            f.to_hdf5(sum_group, f'func_{i+1}')
+
+    @classmethod
+    def from_hdf5(cls, group):
+        """Generate sum of functions from an HDF5 group
+
+        Parameters
+        ----------
+        group : h5py.Group
+            Group to read from
+
+        Returns
+        -------
+        openmc.data.Sum
+            Functions read from the group
+
+        """
+        n = group.attrs['n']
+        functions = [
+            Function1D.from_hdf5(group[f'func_{i+1}'])
+            for i in range(n)
+        ]
+        return cls(functions)
+
 
 class Regions1D(EqualityMixin):
     r"""Piecewise composition of multiple functions.
diff --git a/src/endf.cpp b/src/endf.cpp
index 3ccfdbd21..c0c1d2e7e 100644
--- a/src/endf.cpp
+++ b/src/endf.cpp
@@ -102,6 +102,8 @@ unique_ptr<Function1D> read_function(hid_t group, const char* name)
     func = make_unique<CoherentElasticXS>(obj_id);
   } else if (func_type == "IncoherentElastic") {
     func = make_unique<IncoherentElasticXS>(obj_id);
+  } else if (func_type == "Sum") {
+    func = make_unique<Sum1D>(obj_id);
   } else {
     throw std::runtime_error {"Unknown function type " + func_type +
                               " for dataset " + object_name(obj_id)};

From 70c16d4b04a60606742f6b1c6825bfd04adcad6d Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 13 Oct 2021 07:30:56 -0500
Subject: [PATCH 0645/2654] Implement mixed coherent/incoheret thermal elastic

---
 include/openmc/secondary_thermal.h  | 28 +++++++++
 openmc/data/angle_energy.py         |  2 +
 openmc/data/thermal.py              | 91 ++++++++++++++++++++---------
 openmc/data/thermal_angle_energy.py | 57 ++++++++++++++++++
 src/secondary_thermal.cpp           | 35 +++++++++++
 src/thermal.cpp                     | 25 +++++---
 6 files changed, 203 insertions(+), 35 deletions(-)

diff --git a/include/openmc/secondary_thermal.h b/include/openmc/secondary_thermal.h
index 84ed68f51..81de5c451 100644
--- a/include/openmc/secondary_thermal.h
+++ b/include/openmc/secondary_thermal.h
@@ -150,6 +150,34 @@ private:
                                        //!< each incident energy
 };
 
+//==============================================================================
+//! Mixed coherent/incoherent elastic angle-energy distribution
+//==============================================================================
+
+class MixedElasticAE : public AngleEnergy {
+public:
+  //! Construct from HDF5 file
+  //
+  //! \param[in] group  HDF5 group
+  explicit MixedElasticAE(
+    hid_t group, const CoherentElasticXS& coh_xs, const Tabulated1D& incoh_xs);
+
+  //! Sample distribution for an angle and energy
+  //! \param[in] E_in Incoming energy in [eV]
+  //! \param[out] E_out Outgoing energy in [eV]
+  //! \param[out] mu Outgoing cosine with respect to current direction
+  //! \param[inout] seed Pseudorandom number seed pointer
+  void sample(
+    double E_in, double& E_out, double& mu, uint64_t* seed) const override;
+
+private:
+  CoherentElasticAE coherent_dist_;         //!< Coherent distribution
+  unique_ptr<AngleEnergy> incoherent_dist_; //!< Incoherent distribution
+
+  const CoherentElasticXS& coherent_xs_; //!< Ref. to coherent XS
+  const Tabulated1D& incoherent_xs_;     //!< Ref. to incoherent XS
+};
+
 } // namespace openmc
 
 #endif // OPENMC_SECONDARY_THERMAL_H
diff --git a/openmc/data/angle_energy.py b/openmc/data/angle_energy.py
index 6009dc748..b8fde5478 100644
--- a/openmc/data/angle_energy.py
+++ b/openmc/data/angle_energy.py
@@ -44,6 +44,8 @@ class AngleEnergy(EqualityMixin, ABC):
             return openmc.data.IncoherentInelasticAEDiscrete.from_hdf5(group)
         elif dist_type == 'incoherent_inelastic':
             return openmc.data.IncoherentInelasticAE.from_hdf5(group)
+        elif dist_type == 'mixed_elastic':
+            return openmc.data.MixedElasticAE.from_hdf5(group)
 
     @staticmethod
     def from_ace(ace, location_dist, location_start, rx=None):
diff --git a/openmc/data/thermal.py b/openmc/data/thermal.py
index 4e0a30b64..6cf5a4e9e 100644
--- a/openmc/data/thermal.py
+++ b/openmc/data/thermal.py
@@ -19,12 +19,12 @@ from . import HDF5_VERSION, HDF5_VERSION_MAJOR, endf
 from .data import K_BOLTZMANN, ATOMIC_SYMBOL, EV_PER_MEV, isotopes
 from .ace import Table, get_table, Library
 from .angle_energy import AngleEnergy
-from .function import Tabulated1D, Function1D
+from .function import Tabulated1D, Function1D, Sum
 from .njoy import make_ace_thermal
 from .thermal_angle_energy import (CoherentElasticAE, IncoherentElasticAE,
                                    IncoherentElasticAEDiscrete,
                                    IncoherentInelasticAEDiscrete,
-                                   IncoherentInelasticAE)
+                                   IncoherentInelasticAE, MixedElasticAE)
 
 
 _THERMAL_NAMES = {
@@ -694,29 +694,53 @@ class ThermalScattering(EqualityMixin):
 
         # Incoherent/coherent elastic scattering cross section
         idx = ace.jxs[4]
-        n_mu = ace.nxs[6] + 1
         if idx != 0:
-            n_energy = int(ace.xss[idx])
-            energy = ace.xss[idx + 1: idx + 1 + n_energy]*EV_PER_MEV
-            P = ace.xss[idx + 1 + n_energy: idx + 1 + 2 * n_energy]
-
-            if ace.nxs[5] == 4:
+            if ace.nxs[5] in (4, 5):
                 # Coherent elastic
-                xs = CoherentElastic(energy, P*EV_PER_MEV)
-                distribution = CoherentElasticAE(xs)
+                n_energy = int(ace.xss[idx])
+                energy = ace.xss[idx + 1: idx + 1 + n_energy]*EV_PER_MEV
+                P = ace.xss[idx + 1 + n_energy: idx + 1 + 2 * n_energy]
+                coherent_xs = CoherentElastic(energy, P*EV_PER_MEV)
+                coherent_dist = CoherentElasticAE(xs)
 
                 # Coherent elastic shouldn't have angular distributions listed
+                n_mu = ace.nxs[6] + 1
                 assert n_mu == 0
-            else:
-                # Incoherent elastic
-                xs = Tabulated1D(energy, P)
+
+            if ace.nxs[5] in (3, 5):
+                # Incoherent elastic scattering -- first determine if both
+                # incoherent and coherent are present (mixed)
+                mixed = (ace.nxs[5] == 5)
+
+                # Get cross section values
+                idx = ace.jxs[7] if mixed else ace.jxs[4]
+                n_energy = int(ace.xss[idx])
+                energy = ace.xss[idx + 1: idx + 1 + n_energy]*EV_PER_MEV
+                values = ace.xss[idx + 1 + n_energy: idx + 1 + 2 * n_energy]
+
+                incoherent_xs = Tabulated1D(energy, values)
 
                 # Angular distribution
+                n_mu = (ace.nxs[8] if mixed else ace.nxs[6]) + 1
                 assert n_mu > 0
-                idx = ace.jxs[6]
+                idx = ace.jxs[9] if mixed else ace.jxs[6]
                 mu_out = ace.xss[idx:idx + n_energy * n_mu]
                 mu_out.shape = (n_energy, n_mu)
-                distribution = IncoherentElasticAEDiscrete(mu_out)
+                incoherent_dist = IncoherentElasticAEDiscrete(mu_out)
+
+            if ace.nxs[5] == 3:
+                xs = incoherent_xs
+                dist = incoherent_dist
+            elif ace.nxs[5] == 4:
+                xs = coherent_xs
+                dist = coherent_dist
+            else:
+                # Create mixed cross section -- note that coherent must come
+                # first due to assumption on C++ side
+                xs = Sum([coherent_xs, incoherent_xs])
+
+                # Create mixed distribution
+                distribution = MixedElasticAE(coherent_dist, incoherent_dist)
 
             table.elastic = ThermalScatteringReaction({T: xs}, {T: distribution})
 
@@ -802,7 +826,7 @@ class ThermalScattering(EqualityMixin):
                     # Replace ACE data with ENDF data
                     rx, rx_endf = data.elastic, data_endf.elastic
                     for t in temperatures:
-                        if isinstance(rx_endf.xs[t], IncoherentElastic):
+                        if isinstance(rx_endf.xs[t], (IncoherentElastic, Sum)):
                             rx.xs[t] = rx_endf.xs[t]
                             rx.distribution[t] = rx_endf.distribution[t]
 
@@ -832,20 +856,14 @@ class ThermalScattering(EqualityMixin):
         # Read coherent/incoherent elastic data
         elastic = None
         if (7, 2) in ev.section:
-            xs = {}
-            distribution = {}
-
-            file_obj = StringIO(ev.section[7, 2])
-            lhtr = endf.get_head_record(file_obj)[2]
-            if lhtr == 1:
-                # coherent elastic
-
+            # Define helper functions to avoid duplication
+            def get_coherent_elastic(file_obj):
                 # Get structure factor at first temperature
                 params, S = endf.get_tab1_record(file_obj)
                 strT = _temperature_str(params[0])
                 n_temps = params[2]
                 bragg_edges = S.x
-                xs[strT] = CoherentElastic(bragg_edges, S.y)
+                xs = {strT: CoherentElastic(bragg_edges, S.y)}
                 distribution = {strT: CoherentElasticAE(xs[strT])}
 
                 # Get structure factor for subsequent temperatures
@@ -854,15 +872,34 @@ class ThermalScattering(EqualityMixin):
                     strT = _temperature_str(params[0])
                     xs[strT] = CoherentElastic(bragg_edges, S)
                     distribution[strT] = CoherentElasticAE(xs[strT])
+                return xs, distribution
 
-            elif lhtr == 2:
-                # incoherent elastic
+            def get_incoherent_elastic(file_obj):
                 params, W = endf.get_tab1_record(file_obj)
                 bound_xs = params[0]
+                xs = {}
+                distribution = {}
                 for T, debye_waller in zip(W.x, W.y):
                     strT = _temperature_str(T)
                     xs[strT] = IncoherentElastic(bound_xs, debye_waller)
                     distribution[strT] = IncoherentElasticAE(debye_waller)
+                return xs, distribution
+
+            file_obj = StringIO(ev.section[7, 2])
+            lhtr = endf.get_head_record(file_obj)[2]
+            if lhtr == 1:
+                # coherent elastic
+                xs, distribution = get_coherent_elastic(file_obj)
+            elif lhtr == 2:
+                # incoherent elastic
+                xs, distribution = get_incoherent_elastic(file_obj)
+            elif lhtr == 3:
+                # mixed coherent / incoherent elastic
+                xs_c, dist_c = get_coherent_elastic(file_obj)
+                xs_i, dist_i = get_incoherent_elastic(file_obj)
+                assert sorted(xs_c) == sorted(xs_i)
+                xs = {T: Sum([xs_c[T], xs_i[T]]) for T in xs_c}
+                distribution = {T: MixedElasticAE(dist_c[T], dist_i[T]) for T in dist_c}
 
             elastic = ThermalScatteringReaction(xs, distribution)
 
diff --git a/openmc/data/thermal_angle_energy.py b/openmc/data/thermal_angle_energy.py
index 05393e7bb..6ef874600 100644
--- a/openmc/data/thermal_angle_energy.py
+++ b/openmc/data/thermal_angle_energy.py
@@ -210,3 +210,60 @@ class IncoherentInelasticAEDiscrete(AngleEnergy):
 
 class IncoherentInelasticAE(CorrelatedAngleEnergy):
     _name = 'incoherent_inelastic'
+
+
+class MixedElasticAE(AngleEnergy):
+    """Secondary distribution for mixed coherent/incoherent thermal elastic
+
+    Parameters
+    ----------
+    coherent : AngleEnergy
+        Secondary distribution for coherent elastic scattering
+    incoherent : AngleEnergy
+        Secondary distribution for incoherent elastic scattering
+
+    Attributes
+    ----------
+    coherent : AngleEnergy
+        Secondary distribution for coherent elastic scattering
+    incoherent : AngleEnergy
+        Secondary distribution for incoherent elastic scattering
+
+    """
+    def __init__(self, coherent, incoherent):
+        self.coherent = coherent
+        self.incoherent = incoherent
+
+    def to_hdf5(self, group):
+        """Write mixed elastic distribution to an HDF5 group
+
+        Parameters
+        ----------
+        group : h5py.Group
+            HDF5 group to write to
+
+        """
+        group.attrs['type'] = np.string_('mixed_elastic')
+        coherent_group = group.create_group('coherent')
+        self.coherent.to_hdf5(coherent_group)
+        incoherent_group = group.create_group('incoherent')
+        self.incoherent.to_hdf5(incoherent_group)
+
+    @classmethod
+    def from_hdf5(cls, group):
+        """Generate mixed thermal elastic distribution from HDF5 data
+
+        Parameters
+        ----------
+        group : h5py.Group
+            HDF5 group to read from
+
+        Returns
+        -------
+        openmc.data.MixedElasticAE
+            Mixed thermal elastic distribution
+
+        """
+        coherent = AngleEnergy.from_hdf5(group['coherent'])
+        incoherent = AngleEnergy.from_hdf5(group['incoherent'])
+        return cls(coherent, incoherent)
diff --git a/src/secondary_thermal.cpp b/src/secondary_thermal.cpp
index 3677f6ed3..e5e8274da 100644
--- a/src/secondary_thermal.cpp
+++ b/src/secondary_thermal.cpp
@@ -332,4 +332,39 @@ void IncoherentInelasticAE::sample(
   mu += std::min(mu - mu_left, mu_right - mu) * (prn(seed) - 0.5);
 }
 
+//==============================================================================
+// MixedElasticAE implementation
+//==============================================================================
+
+MixedElasticAE::MixedElasticAE(
+  hid_t group, const CoherentElasticXS& coh_xs, const Tabulated1D& incoh_xs)
+  : coherent_dist_(coh_xs), coherent_xs_(coh_xs), incoherent_xs_(incoh_xs)
+{
+  // Read incoherent elastic distribution
+  hid_t incoherent_group = open_group(group, "incoherent");
+  std::string temp;
+  read_attribute(incoherent_group, "type", temp);
+  if (temp == "incoherent_elastic") {
+    incoherent_dist_ = make_unique<IncoherentElasticAE>(incoherent_group);
+  } else if (temp == "incoherent_elastic_discrete") {
+    incoherent_dist_ =
+      make_unique<IncoherentElasticAEDiscrete>(incoherent_group, incoh_xs.x());
+  }
+  close_group(incoherent_group);
+}
+
+void MixedElasticAE::sample(
+  double E_in, double& E_out, double& mu, uint64_t* seed) const
+{
+  // Evaluate coherent and incoherent elastic cross sections
+  double xs_coh = coherent_xs_(E_in);
+  double xs_incoh = incoherent_xs_(E_in);
+
+  if (prn(seed) * (xs_coh + xs_incoh) < xs_coh) {
+    coherent_dist_.sample(E_in, E_out, mu, seed);
+  } else {
+    incoherent_dist_->sample(E_in, E_out, mu, seed);
+  }
+}
+
 } // namespace openmc
diff --git a/src/thermal.cpp b/src/thermal.cpp
index 1101d5485..303786915 100644
--- a/src/thermal.cpp
+++ b/src/thermal.cpp
@@ -210,14 +210,23 @@ ThermalData::ThermalData(hid_t group)
     if (temp == "coherent_elastic") {
       auto xs = dynamic_cast<CoherentElasticXS*>(elastic_.xs.get());
       elastic_.distribution = make_unique<CoherentElasticAE>(*xs);
-    } else {
-      if (temp == "incoherent_elastic") {
-        elastic_.distribution = make_unique<IncoherentElasticAE>(dgroup);
-      } else if (temp == "incoherent_elastic_discrete") {
-        auto xs = dynamic_cast<Tabulated1D*>(elastic_.xs.get());
-        elastic_.distribution =
-          make_unique<IncoherentElasticAEDiscrete>(dgroup, xs->x());
-      }
+    } else if (temp == "incoherent_elastic") {
+      elastic_.distribution = make_unique<IncoherentElasticAE>(dgroup);
+    } else if (temp == "incoherent_elastic_discrete") {
+      auto xs = dynamic_cast<Tabulated1D*>(elastic_.xs.get());
+      elastic_.distribution =
+        make_unique<IncoherentElasticAEDiscrete>(dgroup, xs->x());
+    } else if (temp == "mixed_elastic") {
+      // Get coherent/incoherent cross sections
+      auto mixed_xs = dynamic_cast<Sum1D*>(elastic_.xs.get());
+      const auto& coh_xs =
+        dynamic_cast<const CoherentElasticXS*>(mixed_xs->functions(0).get());
+      const auto& incoh_xs =
+        dynamic_cast<const Tabulated1D*>(mixed_xs->functions(1).get());
+
+      // Create mixed elastic distribution
+      elastic_.distribution =
+        make_unique<MixedElasticAE>(dgroup, *coh_xs, *incoh_xs);
     }
 
     close_group(elastic_group);

From edf023adb9d48b5b8078ad3ca4886b0176457902 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 19 Oct 2021 17:05:49 -0500
Subject: [PATCH 0646/2654] Fix HDF5 export of mixed elastic distribution

---
 openmc/data/thermal_angle_energy.py | 11 ++++++++---
 1 file changed, 8 insertions(+), 3 deletions(-)

diff --git a/openmc/data/thermal_angle_energy.py b/openmc/data/thermal_angle_energy.py
index 6ef874600..d7dfe92f9 100644
--- a/openmc/data/thermal_angle_energy.py
+++ b/openmc/data/thermal_angle_energy.py
@@ -33,17 +33,22 @@ class CoherentElasticAE(AngleEnergy):
     def __init__(self, coherent_xs):
         self.coherent_xs = coherent_xs
 
-    def to_hdf5(self, group):
+    def to_hdf5(self, group, xs_group=None):
         """Write coherent elastic distribution to an HDF5 group
 
         Parameters
         ----------
         group : h5py.Group
             HDF5 group to write to
+        xs_group : h5py.Group, optional
+            Group containing 'xs' dataset
 
         """
         group.attrs['type'] = np.string_('coherent_elastic')
-        group['coherent_xs'] = group.parent['xs']
+        if xs_group is not None:
+            group['coherent_xs'] = xs_group['xs']
+        else:
+            group['coherent_xs'] = group.parent['xs']
 
 
 class IncoherentElasticAE(AngleEnergy):
@@ -245,7 +250,7 @@ class MixedElasticAE(AngleEnergy):
         """
         group.attrs['type'] = np.string_('mixed_elastic')
         coherent_group = group.create_group('coherent')
-        self.coherent.to_hdf5(coherent_group)
+        self.coherent.to_hdf5(coherent_group, group.parent)
         incoherent_group = group.create_group('incoherent')
         self.incoherent.to_hdf5(incoherent_group)
 

From 4e611f59b9ac60839fa0224a91be929572f0dbc3 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 20 Oct 2021 06:53:20 -0500
Subject: [PATCH 0647/2654] Make incoherent XS polymorphic in MixedElasticAE

---
 include/openmc/secondary_thermal.h | 4 ++--
 src/secondary_thermal.cpp          | 5 +++--
 src/thermal.cpp                    | 3 +--
 3 files changed, 6 insertions(+), 6 deletions(-)

diff --git a/include/openmc/secondary_thermal.h b/include/openmc/secondary_thermal.h
index 81de5c451..5b18902af 100644
--- a/include/openmc/secondary_thermal.h
+++ b/include/openmc/secondary_thermal.h
@@ -160,7 +160,7 @@ public:
   //
   //! \param[in] group  HDF5 group
   explicit MixedElasticAE(
-    hid_t group, const CoherentElasticXS& coh_xs, const Tabulated1D& incoh_xs);
+    hid_t group, const CoherentElasticXS& coh_xs, const Function1D& incoh_xs);
 
   //! Sample distribution for an angle and energy
   //! \param[in] E_in Incoming energy in [eV]
@@ -175,7 +175,7 @@ private:
   unique_ptr<AngleEnergy> incoherent_dist_; //!< Incoherent distribution
 
   const CoherentElasticXS& coherent_xs_; //!< Ref. to coherent XS
-  const Tabulated1D& incoherent_xs_;     //!< Ref. to incoherent XS
+  const Function1D& incoherent_xs_;      //!< Polymorphic ref. to incoherent XS
 };
 
 } // namespace openmc
diff --git a/src/secondary_thermal.cpp b/src/secondary_thermal.cpp
index e5e8274da..0b8e1ab42 100644
--- a/src/secondary_thermal.cpp
+++ b/src/secondary_thermal.cpp
@@ -337,7 +337,7 @@ void IncoherentInelasticAE::sample(
 //==============================================================================
 
 MixedElasticAE::MixedElasticAE(
-  hid_t group, const CoherentElasticXS& coh_xs, const Tabulated1D& incoh_xs)
+  hid_t group, const CoherentElasticXS& coh_xs, const Function1D& incoh_xs)
   : coherent_dist_(coh_xs), coherent_xs_(coh_xs), incoherent_xs_(incoh_xs)
 {
   // Read incoherent elastic distribution
@@ -347,8 +347,9 @@ MixedElasticAE::MixedElasticAE(
   if (temp == "incoherent_elastic") {
     incoherent_dist_ = make_unique<IncoherentElasticAE>(incoherent_group);
   } else if (temp == "incoherent_elastic_discrete") {
+    auto xs = dynamic_cast<const Tabulated1D*>(&incoh_xs);
     incoherent_dist_ =
-      make_unique<IncoherentElasticAEDiscrete>(incoherent_group, incoh_xs.x());
+      make_unique<IncoherentElasticAEDiscrete>(incoherent_group, xs->x());
   }
   close_group(incoherent_group);
 }
diff --git a/src/thermal.cpp b/src/thermal.cpp
index 303786915..1a9592d0a 100644
--- a/src/thermal.cpp
+++ b/src/thermal.cpp
@@ -221,8 +221,7 @@ ThermalData::ThermalData(hid_t group)
       auto mixed_xs = dynamic_cast<Sum1D*>(elastic_.xs.get());
       const auto& coh_xs =
         dynamic_cast<const CoherentElasticXS*>(mixed_xs->functions(0).get());
-      const auto& incoh_xs =
-        dynamic_cast<const Tabulated1D*>(mixed_xs->functions(1).get());
+      const auto& incoh_xs = mixed_xs->functions(1).get();
 
       // Create mixed elastic distribution
       elastic_.distribution =

From e8294d52a0162b484a0961195dc330ef58b5f051 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 21 Jul 2022 14:37:34 -0500
Subject: [PATCH 0648/2654] Update documentation for mixed thermal elastic

---
 docs/source/io_formats/nuclear_data.rst | 23 +++++++++++++++++++++++
 docs/source/pythonapi/data.rst          |  1 +
 openmc/data/function.py                 |  4 ++++
 openmc/data/thermal_angle_energy.py     |  5 +++++
 4 files changed, 33 insertions(+)

diff --git a/docs/source/io_formats/nuclear_data.rst b/docs/source/io_formats/nuclear_data.rst
index ef61604cb..8174108e1 100644
--- a/docs/source/io_formats/nuclear_data.rst
+++ b/docs/source/io_formats/nuclear_data.rst
@@ -339,6 +339,16 @@ Incoherent elastic scattering
               [eV\ :math:`^{-1}`].
 :Attributes: - **type** (*char[]*) -- 'IncoherentElastic'
 
+Sum of functions
+----------------
+
+:Object type: Group
+:Attributes: - **type** (*char[]*) -- "Sum"
+             - **n** (*int*) -- Number of functions
+:Datasets:
+           - ***func_<i>** (:ref:`function <1d_functions>`) -- Dataset for the
+             i-th function (indexing starts at 1)
+
 .. _angle_energy:
 
 --------------------------
@@ -501,6 +511,19 @@ equiprobable bins.
            - **skewed** (*int8_t*) -- Whether discrete angles are equi-probable
              (0) or have a skewed distribution (1).
 
+Mixed Elastic
+-------------
+
+This angle-energy distribution is used when an evaluation specifies both
+coherent and incoherent elastic thermal neutron scattering.
+
+:Object type: Group
+:Attributes: - **type** (*char[]*) -- "mixed_elastic"
+:Groups: - **coherent** -- Distribution for coherent elastic scattering. The
+           format is given in :ref:`angle_energy`.
+         - **incoherent** -- Distribution for incoherent elastic scattering.
+           The format is given in :ref:`angle_energy`.
+
 .. _energy_distribution:
 
 --------------------
diff --git a/docs/source/pythonapi/data.rst b/docs/source/pythonapi/data.rst
index 287738774..c74769be6 100644
--- a/docs/source/pythonapi/data.rst
+++ b/docs/source/pythonapi/data.rst
@@ -116,6 +116,7 @@ Angle-Energy Distributions
     IncoherentElasticAE
     IncoherentElasticAEDiscrete
     IncoherentInelasticAEDiscrete
+    MixedElasticAE
 
 Resonance Data
 --------------
diff --git a/openmc/data/function.py b/openmc/data/function.py
index 7a73987df..751f6cdb5 100644
--- a/openmc/data/function.py
+++ b/openmc/data/function.py
@@ -581,6 +581,8 @@ class Sum(EqualityMixin):
     def to_hdf5(self, group, name='xy'):
         """Write sum of functions to an HDF5 group
 
+        .. versionadded:: 0.13.1
+
         Parameters
         ----------
         group : h5py.Group
@@ -599,6 +601,8 @@ class Sum(EqualityMixin):
     def from_hdf5(cls, group):
         """Generate sum of functions from an HDF5 group
 
+        .. versionadded:: 0.13.1
+
         Parameters
         ----------
         group : h5py.Group
diff --git a/openmc/data/thermal_angle_energy.py b/openmc/data/thermal_angle_energy.py
index d7dfe92f9..b7ca349f1 100644
--- a/openmc/data/thermal_angle_energy.py
+++ b/openmc/data/thermal_angle_energy.py
@@ -36,6 +36,9 @@ class CoherentElasticAE(AngleEnergy):
     def to_hdf5(self, group, xs_group=None):
         """Write coherent elastic distribution to an HDF5 group
 
+        .. versionchanged:: 0.13.1
+            The *xs_group* argument was added.
+
         Parameters
         ----------
         group : h5py.Group
@@ -220,6 +223,8 @@ class IncoherentInelasticAE(CorrelatedAngleEnergy):
 class MixedElasticAE(AngleEnergy):
     """Secondary distribution for mixed coherent/incoherent thermal elastic
 
+    .. versionadded:: 0.13.1
+
     Parameters
     ----------
     coherent : AngleEnergy

From 0f03710e367094db1a822f00db7a1e857ea89dcc Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 21 Jul 2022 16:09:49 -0500
Subject: [PATCH 0649/2654] Fix hdf5 write/read for coherent and mixed elastic

---
 openmc/data/function.py             |  2 +-
 openmc/data/thermal.py              |  2 +-
 openmc/data/thermal_angle_energy.py | 35 ++++++++++++++++++++---------
 3 files changed, 26 insertions(+), 13 deletions(-)

diff --git a/openmc/data/function.py b/openmc/data/function.py
index 751f6cdb5..b0390d19c 100644
--- a/openmc/data/function.py
+++ b/openmc/data/function.py
@@ -544,7 +544,7 @@ class Combination(EqualityMixin):
         self._operations = operations
 
 
-class Sum(EqualityMixin):
+class Sum(Function1D):
     """Sum of multiple functions.
 
     This class allows you to create a callable object which represents the sum
diff --git a/openmc/data/thermal.py b/openmc/data/thermal.py
index 6cf5a4e9e..3d5f2df64 100644
--- a/openmc/data/thermal.py
+++ b/openmc/data/thermal.py
@@ -701,7 +701,7 @@ class ThermalScattering(EqualityMixin):
                 energy = ace.xss[idx + 1: idx + 1 + n_energy]*EV_PER_MEV
                 P = ace.xss[idx + 1 + n_energy: idx + 1 + 2 * n_energy]
                 coherent_xs = CoherentElastic(energy, P*EV_PER_MEV)
-                coherent_dist = CoherentElasticAE(xs)
+                coherent_dist = CoherentElasticAE(coherent_xs)
 
                 # Coherent elastic shouldn't have angular distributions listed
                 n_mu = ace.nxs[6] + 1
diff --git a/openmc/data/thermal_angle_energy.py b/openmc/data/thermal_angle_energy.py
index b7ca349f1..1f37863ea 100644
--- a/openmc/data/thermal_angle_energy.py
+++ b/openmc/data/thermal_angle_energy.py
@@ -2,6 +2,7 @@ import numpy as np
 
 from .angle_energy import AngleEnergy
 from .correlated import CorrelatedAngleEnergy
+import openmc.data
 
 
 class CoherentElasticAE(AngleEnergy):
@@ -33,25 +34,37 @@ class CoherentElasticAE(AngleEnergy):
     def __init__(self, coherent_xs):
         self.coherent_xs = coherent_xs
 
-    def to_hdf5(self, group, xs_group=None):
+    def to_hdf5(self, group):
         """Write coherent elastic distribution to an HDF5 group
 
-        .. versionchanged:: 0.13.1
-            The *xs_group* argument was added.
-
         Parameters
         ----------
         group : h5py.Group
             HDF5 group to write to
-        xs_group : h5py.Group, optional
-            Group containing 'xs' dataset
 
         """
         group.attrs['type'] = np.string_('coherent_elastic')
-        if xs_group is not None:
-            group['coherent_xs'] = xs_group['xs']
-        else:
-            group['coherent_xs'] = group.parent['xs']
+        self.coherent_xs.to_hdf5(group, 'coherent_xs')
+
+    @classmethod
+    def from_hdf5(cls, group):
+        """Generate coherent elastic distribution from HDF5 data
+
+        .. versionadded:: 0.13.1
+
+        Parameters
+        ----------
+        group : h5py.Group
+            HDF5 group to read from
+
+        Returns
+        -------
+        openmc.data.CoherentElasticAE
+            Coherent elastic distribution
+
+        """
+        coherent_xs = openmc.data.CoherentElastic.from_hdf5(group['coherent_xs'])
+        return cls(coherent_xs)
 
 
 class IncoherentElasticAE(AngleEnergy):
@@ -255,7 +268,7 @@ class MixedElasticAE(AngleEnergy):
         """
         group.attrs['type'] = np.string_('mixed_elastic')
         coherent_group = group.create_group('coherent')
-        self.coherent.to_hdf5(coherent_group, group.parent)
+        self.coherent.to_hdf5(coherent_group)
         incoherent_group = group.create_group('incoherent')
         self.incoherent.to_hdf5(incoherent_group)
 

From 425dba5d25f6a3d737838f9cb408dd57bf45c24e Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 22 Jul 2022 07:46:34 -0500
Subject: [PATCH 0650/2654] Add test for mixed elastic thermal scattering

---
 openmc/mixin.py                       |   7 +-
 tests/unit_tests/test_data_thermal.py | 105 ++++++++++++++++++++++++++
 2 files changed, 110 insertions(+), 2 deletions(-)

diff --git a/openmc/mixin.py b/openmc/mixin.py
index 516162464..31c26ec76 100644
--- a/openmc/mixin.py
+++ b/openmc/mixin.py
@@ -14,8 +14,11 @@ class EqualityMixin:
     def __eq__(self, other):
         if isinstance(other, type(self)):
             for key, value in self.__dict__.items():
-                if not np.array_equal(value, other.__dict__.get(key)):
-                    return False
+                if isinstance(value, np.ndarray):
+                    if not np.array_equal(value, other.__dict__.get(key)):
+                        return False
+                else:
+                    return value == other.__dict__.get(key)
         else:
             return False
 
diff --git a/tests/unit_tests/test_data_thermal.py b/tests/unit_tests/test_data_thermal.py
index dc4d24628..61ae61b24 100644
--- a/tests/unit_tests/test_data_thermal.py
+++ b/tests/unit_tests/test_data_thermal.py
@@ -262,3 +262,108 @@ def test_get_thermal_name():
 
         # Names that don't remotely match anything
         assert f('boogie_monster') == 'c_boogie_monster'
+
+
+@pytest.fixture
+def fake_mixed_elastic():
+    fake_tsl = openmc.data.ThermalScattering("c_D_in_7LiD", 1.9968, 4.9, [0.0253])
+    fake_tsl.nuclides = ['H2']
+
+    # Create elastic reaction
+    bragg_edges = [0.00370672, 0.00494229, 0.00988458, 0.01359131, 0.01482688,
+                   0.01976918, 0.02347589, 0.02471147, 0.02965376, 0.03336048,
+                   0.03953834, 0.04324506, 0.04448063, 0.04942292, 0.05312964,
+                   0.05436522, 0.05930751, 0.06301423, 0.0642498 , 0.06919209,
+                   0.07289881, 0.07907667, 0.08278339, 0.08401896, 0.08896126,
+                   0.09266798, 0.09390355, 0.09884584, 0.1025526 , 0.1037882 ,
+                   0.1087305 , 0.1124372 , 0.1186151 , 0.1223218 , 0.1235574 ,
+                   0.1284997 , 0.1322064 , 0.133442  , 0.142091  , 0.1433266 ,
+                   0.1482688 , 0.1519756 , 0.1581534 , 0.1618601 , 0.1630957 ,
+                   0.168038  , 0.1717447 , 0.1729803 , 0.1779226 , 0.1816293 ,
+                   0.1828649 , 0.1878072 , 0.1915139 , 0.1976918 , 0.2026341 ,
+                   0.2075763 , 0.2125186 , 0.2174609 , 0.2224032 , 0.2273455 ,
+                   0.2421724 , 0.2471147 , 0.252057  , 0.2569993 , 0.2619415 ,
+                   0.2668838 , 0.2767684 , 0.2817107 , 0.2915953 , 0.3064222 ,
+                   0.3261913 , 0.366965]
+    factors = [0.00375735, 0.01386287, 0.02595574, 0.02992438, 0.03549502,
+               0.03855745, 0.04058831, 0.04986305, 0.05703106, 0.05855471,
+               0.06078031, 0.06212291, 0.06656602, 0.06930339, 0.0697072 ,
+               0.07201456, 0.07263853, 0.07313129, 0.07465531, 0.07714482,
+               0.07759976, 0.077809  , 0.07790282, 0.07927957, 0.08013058,
+               0.08026637, 0.08073475, 0.08112202, 0.08123039, 0.08187171,
+               0.08213756, 0.08218236, 0.08236572, 0.08240729, 0.08259795,
+               0.08297893, 0.08300455, 0.08314566, 0.08315611, 0.08337715,
+               0.08350026, 0.08350663, 0.08352815, 0.08353776, 0.0836098 ,
+               0.08367017, 0.08367361, 0.0837242 , 0.08375069, 0.08375227,
+               0.08377006, 0.08381488, 0.08381644, 0.08382698, 0.08386266,
+               0.08387756, 0.08388445, 0.08388974, 0.08390341, 0.08391088,
+               0.08391695, 0.08392361, 0.08392684, 0.08392818, 0.08393161,
+               0.08393546, 0.08393685, 0.08393801, 0.08393976, 0.08394167,
+               0.08394288, 0.08394398]
+    coherent_xs = openmc.data.CoherentElastic(bragg_edges, factors)
+    incoherent_xs = openmc.data.Tabulated1D([0.00370672, 0.00370672], [0.00370672, 0.00370672])
+    elastic_xs = {'294K': openmc.data.Sum((coherent_xs, incoherent_xs))}
+    coherent_dist = openmc.data.CoherentElasticAE(coherent_xs)
+    incoherent_dist = openmc.data.IncoherentElasticAEDiscrete([
+        [-0.6, -0.18, 0.18, 0.6], [-0.6, -0.18, 0.18, 0.6]
+    ])
+    elastic_dist = {'294K': openmc.data.MixedElasticAE(coherent_dist, incoherent_dist)}
+    fake_tsl.elastic = openmc.data.ThermalScatteringReaction(elastic_xs, elastic_dist)
+
+    # Create inelastic reaction
+    inelastic_xs = {'294K': openmc.data.Tabulated1D([1.0e-5, 4.9], [13.4, 3.35])}
+    breakpoints = [3]
+    interpolation = [2]
+    energy = [1.0e-5, 4.3e-2, 4.9]
+    energy_out = [
+        openmc.data.Tabular([0.0002, 0.067, 0.146, 0.366], [0.25, 0.25, 0.25, 0.25]),
+        openmc.data.Tabular([0.0001, 0.009, 0.137, 0.277], [0.25, 0.25, 0.25, 0.25]),
+        openmc.data.Tabular([0.0579, 4.555, 4.803, 4.874], [0.25, 0.25, 0.25, 0.25]),
+    ]
+    for eout in energy_out:
+        eout.normalize()
+        eout.c = eout.cdf()
+    discrete = openmc.stats.Discrete([-0.9, -0.6, -0.3, -0.1, 0.1, 0.3, 0.6, 0.9], [1/8]*8)
+    discrete.c = discrete.cdf()[1:]
+    mu = [[discrete]*4]*3
+    inelastic_dist = {'294K': openmc.data.IncoherentInelasticAE(
+        breakpoints, interpolation, energy, energy_out, mu)}
+    inelastic = openmc.data.ThermalScatteringReaction(inelastic_xs, inelastic_dist)
+    fake_tsl.inelastic = inelastic
+
+    return fake_tsl
+
+
+def test_mixed_elastic(fake_mixed_elastic, run_in_tmpdir):
+    # Write data to HDF5 and then read back
+    original = fake_mixed_elastic
+    original.export_to_hdf5('c_D_in_7LiD.h5')
+    copy = openmc.data.ThermalScattering.from_hdf5('c_D_in_7LiD.h5')
+
+    # Make sure data did not change as a result of HDF5 writing/reading
+    assert original == copy
+
+    # Create modified cross_sections.xml file that includes the above data
+    xs = openmc.data.DataLibrary.from_xml()
+    xs.register_file('c_D_in_7LiD.h5')
+    xs.export_to_xml('cross_sections_mixed.xml')
+
+    # Create a minimal model that includes the new data and run it
+    mat = openmc.Material()
+    mat.add_nuclide('H2', 1.0)
+    mat.add_nuclide('Li7', 1.0)
+    mat.set_density('g/cm3', 1.0)
+    mat.add_s_alpha_beta('c_D_in_7LiD')
+    sph = openmc.Sphere(r=10.0, boundary_type="vacuum")
+    cell = openmc.Cell(fill=mat, region=-sph)
+    model = openmc.Model()
+    model.geometry = openmc.Geometry([cell])
+    model.materials = openmc.Materials([mat])
+    model.materials.cross_sections = "cross_sections_mixed.xml"
+    model.settings.particles = 1000
+    model.settings.batches = 10
+    model.settings.run_mode = 'fixed source'
+    model.settings.source = openmc.Source(
+        energy=openmc.stats.Discrete([3.0], [1.0])  # 3 eV source
+    )
+    model.run()

From 3b33fb830624d8c0e7959e6326214f52ae988eb0 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 22 Jul 2022 07:55:22 -0500
Subject: [PATCH 0651/2654] Adding comment as suggested by @paulromano

---
 openmc/mesh.py | 4 ++++
 1 file changed, 4 insertions(+)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index d08213f77..4af701892 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -248,6 +248,10 @@ class StructuredMesh(MeshBase):
 
         # create VTK arrays for each of
         # the data sets
+
+        # maintain a list of the datasets as added
+        # to the VTK arrays to ensure they persist
+        # in memory until the file is written
         datasets_out = []
         for label, dataset in datasets.items():
             dataset = np.asarray(dataset).flatten()

From 443c2ac4c99c06866798ca14b2944d8d50e0141a Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 24 May 2022 11:59:30 -0500
Subject: [PATCH 0652/2654] Add integral method on Discrete, Tabular, and
 Mixture classes

---
 openmc/stats/univariate.py | 39 ++++++++++++++++++++++++++++++++++++++
 1 file changed, 39 insertions(+)

diff --git a/openmc/stats/univariate.py b/openmc/stats/univariate.py
index 5528bdb30..733b7eaa6 100644
--- a/openmc/stats/univariate.py
+++ b/openmc/stats/univariate.py
@@ -220,6 +220,16 @@ class Discrete(Univariate):
         p_arr = np.array([p_merged[x] for x in x_arr])
         return cls(x_arr, p_arr)
 
+    def integral(self):
+        """Return integral of distribution
+
+        Returns
+        -------
+        float
+            Integral of discrete distribution
+        """
+        return np.sum(self.p)
+
 class Uniform(Univariate):
     """Distribution with constant probability over a finite interval [a,b]
 
@@ -1027,6 +1037,22 @@ class Tabular(Univariate):
         p = params[len(params)//2:]
         return cls(x, p, interpolation)
 
+    def integral(self):
+        """Return integral of distribution
+
+        Returns
+        -------
+        float
+            Integral of tabular distrbution
+        """
+        if self.interpolation == 'histogram':
+            return np.sum(np.diff(self.x) * self.p[:-1])
+        elif self.interpolation == 'linear-linear':
+            return np.trapz(self.p, self.x)
+        else:
+            raise NotImplementedError(
+                f'integral() not supported for {self.inteprolation} interpolation')
+
 
 class Legendre(Univariate):
     r"""Probability density given by a Legendre polynomial expansion
@@ -1199,3 +1225,16 @@ class Mixture(Univariate):
             distribution.append(Univariate.from_xml_element(pair.find("dist")))
 
         return cls(probability, distribution)
+
+    def integral(self):
+        """Return integral of the distribution
+
+        Returns
+        -------
+        float
+            Integral of the distribution
+        """
+        return sum([
+            p*dist.integral()
+            for p, dist in zip(self.probability, self.distribution)
+        ])

From c4a9b2c8b13592e2e761985eef3f2eef3dc092f0 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 5 Apr 2022 11:34:09 -0500
Subject: [PATCH 0653/2654] Get gamma and xray decay sources as distributions

---
 openmc/data/decay.py | 42 ++++++++++++++++++++++++++++++++++++++++++
 1 file changed, 42 insertions(+)

diff --git a/openmc/data/decay.py b/openmc/data/decay.py
index 51a594bc8..2855a9434 100644
--- a/openmc/data/decay.py
+++ b/openmc/data/decay.py
@@ -9,7 +9,9 @@ from uncertainties import ufloat, UFloat
 
 import openmc.checkvalue as cv
 from openmc.mixin import EqualityMixin
+from openmc.stats import Discrete, Tabular
 from .data import ATOMIC_SYMBOL, ATOMIC_NUMBER
+from .function import INTERPOLATION_SCHEME
 from .endf import Evaluation, get_head_record, get_list_record, get_tab1_record
 
 
@@ -495,3 +497,43 @@ class Decay(EqualityMixin):
 
         """
         return cls(ev_or_filename)
+
+    def get_sources(self):
+        sources = {}
+        name = self.nuclide['name']
+        for particle, spectra in self.spectra.items():
+            # Only handle gammas for now
+            if particle not in ('gamma', 'xray'):
+                continue
+
+            # Create distribution for discrete
+            distributions = []
+            if spectra['continuous_flag'] in ('discrete', 'both'):
+                energies = []
+                intensities = []
+                for discrete_data in spectra['discrete']:
+                    energies.append(discrete_data['energy'].n)
+                    intensities.append(discrete_data['intensity'].n)
+                energies = np.array(energies)
+                intensities = np.array(intensities)
+                dist_discrete = Discrete(energies, intensities)  # <-- not normalized yet
+                dist_discrete._normalization = spectra['discrete_normalization'].n
+                distributions.append(dist_discrete)
+
+            # Create distribution for continuous
+            if spectra['continuous_flag'] in ('continuous', 'both'):
+                f = spectra['continuous']['probability']
+                if len(f.interpolation) > 1:
+                    raise NotImplementedError("Multiple interpolation regions: {name}, {particle}")
+                interpolation = INTERPOLATION_SCHEME[f.interpolation[0]]
+                if interpolation not in ('histogram', 'linear-linear'):
+                    raise NotImplementedError("Continuous spectra with {interpolation} interpolation ({name}, {particle}) not supported")
+
+                dist_continuous = Tabular(f.x, f.y, interpolation)
+                dist_continuous._intensity = spectra['continuous_normalization'].n
+                distributions.append(dist_continuous)
+
+            # Combine distribution for discrete and continuous
+            sources[particle] = distributions
+
+        return sources

From b7596245f2af6c5484c9bb73e323e39ee6fb2de9 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 5 Apr 2022 12:50:22 -0500
Subject: [PATCH 0654/2654] Combined decay distributions

---
 openmc/data/decay.py | 46 +++++++++++++++++++++++++++++++++++++-------
 1 file changed, 39 insertions(+), 7 deletions(-)

diff --git a/openmc/data/decay.py b/openmc/data/decay.py
index 2855a9434..5de07f465 100644
--- a/openmc/data/decay.py
+++ b/openmc/data/decay.py
@@ -9,7 +9,7 @@ from uncertainties import ufloat, UFloat
 
 import openmc.checkvalue as cv
 from openmc.mixin import EqualityMixin
-from openmc.stats import Discrete, Tabular
+from openmc.stats import Discrete, Tabular, Mixture
 from .data import ATOMIC_SYMBOL, ATOMIC_NUMBER
 from .function import INTERPOLATION_SCHEME
 from .endf import Evaluation, get_head_record, get_list_record, get_tab1_record
@@ -499,15 +499,27 @@ class Decay(EqualityMixin):
         return cls(ev_or_filename)
 
     def get_sources(self):
+        """Get radioactive decay source distributions
+
+        Returns
+        -------
+        sources : dict
+            Dictionary mapping particle types (e.g., 'photon') to instances of
+            :class:`openmc.stats.Univariate`
+
+        """
         sources = {}
         name = self.nuclide['name']
         for particle, spectra in self.spectra.items():
             # Only handle gammas for now
             if particle not in ('gamma', 'xray'):
                 continue
+            # TODO: Set particle type based on 'particle' above
+            particle_type = 'photon'
+            if particle_type not in sources:
+                sources[particle_type] = []
 
             # Create distribution for discrete
-            distributions = []
             if spectra['continuous_flag'] in ('discrete', 'both'):
                 energies = []
                 intensities = []
@@ -516,9 +528,10 @@ class Decay(EqualityMixin):
                     intensities.append(discrete_data['intensity'].n)
                 energies = np.array(energies)
                 intensities = np.array(intensities)
+                intensities *= spectra['discrete_normalization'].n
                 dist_discrete = Discrete(energies, intensities)  # <-- not normalized yet
-                dist_discrete._normalization = spectra['discrete_normalization'].n
-                distributions.append(dist_discrete)
+                dist_discrete._intensity = intensities.sum()
+                sources[particle_type].append(dist_discrete)
 
             # Create distribution for continuous
             if spectra['continuous_flag'] in ('continuous', 'both'):
@@ -531,9 +544,28 @@ class Decay(EqualityMixin):
 
                 dist_continuous = Tabular(f.x, f.y, interpolation)
                 dist_continuous._intensity = spectra['continuous_normalization'].n
-                distributions.append(dist_continuous)
+                sources[particle_type].append(dist_continuous)
 
-            # Combine distribution for discrete and continuous
-            sources[particle] = distributions
+        # Combine discrete distributions
+        for dist_list in sources.values():
+            # Get list of discrete distributions
+            discrete_index = [i for i, d in enumerate(dist_list) if isinstance(d, Discrete)]
+            dist_discrete = [dist_list[i] for i in discrete_index]
 
+            if len(dist_discrete) > 1:
+                # Create combined discrete distribution
+                probs = [1.0] * len(dist_discrete)
+                combined_dist = Discrete.merge(dist_discrete, probs)
+                combined_dist._intensity = np.sum(combined_dist.p)
+
+                for idx in reversed(discrete_index):
+                    dist_list.pop(idx)
+                dist_list.append(combined_dist)
+
+            # Combine discrete and continuous if present
+            if len(dist_list) > 1:
+                probs = [d._intensity for d in dist_list]
+                dist_list[:] = Mixture(probs, dist_list.copy())
+
+        sources = {k: (v[0] if v else None) for k, v in sources.items()}
         return sources

From 1b2b5e169c7dcf9d504ed505edc76f96ee25e87d Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Mon, 23 May 2022 14:44:08 -0500
Subject: [PATCH 0655/2654] Map radiation type to particle type properly in
 Decay.get_sources

---
 openmc/data/decay.py | 20 +++++++++++++++-----
 1 file changed, 15 insertions(+), 5 deletions(-)

diff --git a/openmc/data/decay.py b/openmc/data/decay.py
index 5de07f465..142be35e4 100644
--- a/openmc/data/decay.py
+++ b/openmc/data/decay.py
@@ -511,11 +511,21 @@ class Decay(EqualityMixin):
         sources = {}
         name = self.nuclide['name']
         for particle, spectra in self.spectra.items():
-            # Only handle gammas for now
-            if particle not in ('gamma', 'xray'):
-                continue
-            # TODO: Set particle type based on 'particle' above
-            particle_type = 'photon'
+            # Set particle type based on 'particle' above
+            particle_type = {
+                'gamma': 'photon',
+                'beta-': 'electron',
+                'ec/beta+': 'positron',
+                'alpha': 'alpha',
+                'n': 'neutron',
+                'sf': 'fragment',
+                'p': 'proton',
+                'e-': 'electron',
+                'xray': 'photon',
+                'anti-neutrino': 'anti-neutrino',
+                'neutrino': 'neutrino',
+            }[particle]
+
             if particle_type not in sources:
                 sources[particle_type] = []
 

From 6388c8f994b6587cd2d0de1e3aea2d6c3b514ec6 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 24 May 2022 12:02:31 -0500
Subject: [PATCH 0656/2654] Separate out a function for combine_distributions

---
 openmc/data/decay.py | 73 +++++++++++++++++++++++++++++++++-----------
 1 file changed, 55 insertions(+), 18 deletions(-)

diff --git a/openmc/data/decay.py b/openmc/data/decay.py
index 142be35e4..edf9c1c0b 100644
--- a/openmc/data/decay.py
+++ b/openmc/data/decay.py
@@ -1,4 +1,5 @@
 from collections.abc import Iterable
+from copy import deepcopy
 from io import StringIO
 from math import log
 import re
@@ -552,30 +553,66 @@ class Decay(EqualityMixin):
                 if interpolation not in ('histogram', 'linear-linear'):
                     raise NotImplementedError("Continuous spectra with {interpolation} interpolation ({name}, {particle}) not supported")
 
+                # TODO: work normalization into tabular itself
                 dist_continuous = Tabular(f.x, f.y, interpolation)
                 dist_continuous._intensity = spectra['continuous_normalization'].n
                 sources[particle_type].append(dist_continuous)
 
         # Combine discrete distributions
-        for dist_list in sources.values():
-            # Get list of discrete distributions
-            discrete_index = [i for i, d in enumerate(dist_list) if isinstance(d, Discrete)]
-            dist_discrete = [dist_list[i] for i in discrete_index]
+        merged_sources = {}
+        for particle_type, dist_list in sources.items():
+            merged_sources[particle_type] = combine_distributions(
+                dist_list, [1.0]*len(dist_list))
 
-            if len(dist_discrete) > 1:
-                # Create combined discrete distribution
-                probs = [1.0] * len(dist_discrete)
-                combined_dist = Discrete.merge(dist_discrete, probs)
-                combined_dist._intensity = np.sum(combined_dist.p)
+        return merged_sources
 
-                for idx in reversed(discrete_index):
-                    dist_list.pop(idx)
-                dist_list.append(combined_dist)
 
-            # Combine discrete and continuous if present
-            if len(dist_list) > 1:
-                probs = [d._intensity for d in dist_list]
-                dist_list[:] = Mixture(probs, dist_list.copy())
+def combine_distributions(dists, probs):
+    """Combine distributions with specified probabilities
 
-        sources = {k: (v[0] if v else None) for k, v in sources.items()}
-        return sources
+    This function can be used to combine multiple instances of
+    :class:`~openmc.stats.Discrete` and `~openmc.stats.Tabular` into a single
+    distribution. Multiple discrete distributions are merged into a single
+    distribution and the remainder of the distributions are put into a
+    :class:`~openmc.stats.Mixture` distribution.
+
+    Parameters
+    ----------
+    dists : iterable of openmc.stats.Univariate
+        Distributions to combine
+    probs : iterable of float
+        Probability (or intensity) of each distribution
+
+    """
+    # Get copy of distribution list so as not to modify the argument
+    dist_list = deepcopy(dists)
+
+    # Get list of discrete/continuous distribution indices
+    discrete_index = [i for i, d in enumerate(dist_list) if isinstance(d, Discrete)]
+    cont_index = [i for i, d in enumerate(dist_list) if isinstance(d, Tabular)]
+
+    # Apply probabilites to continuous distributions
+    for i in cont_index:
+        dist = dist_list[i]
+        dist.p *= probs[i]
+        dist._intensity *= probs[i]
+
+    if discrete_index:
+        # Create combined discrete distribution
+        dist_discrete = [dist_list[i] for i in discrete_index]
+        discrete_probs = [probs[i] for i in discrete_index]
+        combined_dist = Discrete.merge(dist_discrete, discrete_probs)
+        combined_dist._intensity = np.sum(combined_dist.p)
+
+        # Replace multiple discrete distributions with merged
+        for idx in reversed(discrete_index):
+            dist_list.pop(idx)
+        dist_list.append(combined_dist)
+
+    # Combine discrete and continuous if present
+    if len(dist_list) > 1:
+        probs = [d._intensity for d in dist_list]
+        dist_list[:] = [Mixture(probs, dist_list.copy())]
+        dist_list[0]._intensity = sum(probs)
+
+    return dist_list[0]

From d4989ae64226f0e11d75220277bfb13e3bdb538f Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 24 May 2022 12:48:06 -0500
Subject: [PATCH 0657/2654] Use integral() methods instead of _intensity hidden
 attribute

---
 openmc/data/decay.py | 19 ++++++++-----------
 1 file changed, 8 insertions(+), 11 deletions(-)

diff --git a/openmc/data/decay.py b/openmc/data/decay.py
index edf9c1c0b..874981e2b 100644
--- a/openmc/data/decay.py
+++ b/openmc/data/decay.py
@@ -511,6 +511,7 @@ class Decay(EqualityMixin):
         """
         sources = {}
         name = self.nuclide['name']
+        decay_constant = self.decay_constant.n
         for particle, spectra in self.spectra.items():
             # Set particle type based on 'particle' above
             particle_type = {
@@ -538,10 +539,9 @@ class Decay(EqualityMixin):
                     energies.append(discrete_data['energy'].n)
                     intensities.append(discrete_data['intensity'].n)
                 energies = np.array(energies)
-                intensities = np.array(intensities)
-                intensities *= spectra['discrete_normalization'].n
-                dist_discrete = Discrete(energies, intensities)  # <-- not normalized yet
-                dist_discrete._intensity = intensities.sum()
+                intensity = spectra['discrete_normalization'].n
+                rates = decay_constant * intensity * np.array(intensities)
+                dist_discrete = Discrete(energies, rates)
                 sources[particle_type].append(dist_discrete)
 
             # Create distribution for continuous
@@ -553,9 +553,9 @@ class Decay(EqualityMixin):
                 if interpolation not in ('histogram', 'linear-linear'):
                     raise NotImplementedError("Continuous spectra with {interpolation} interpolation ({name}, {particle}) not supported")
 
-                # TODO: work normalization into tabular itself
-                dist_continuous = Tabular(f.x, f.y, interpolation)
-                dist_continuous._intensity = spectra['continuous_normalization'].n
+                intensity = spectra['continuous_normalization'].n
+                rates = decay_constant * intensity * f.y
+                dist_continuous = Tabular(f.x, rates, interpolation)
                 sources[particle_type].append(dist_continuous)
 
         # Combine discrete distributions
@@ -595,14 +595,12 @@ def combine_distributions(dists, probs):
     for i in cont_index:
         dist = dist_list[i]
         dist.p *= probs[i]
-        dist._intensity *= probs[i]
 
     if discrete_index:
         # Create combined discrete distribution
         dist_discrete = [dist_list[i] for i in discrete_index]
         discrete_probs = [probs[i] for i in discrete_index]
         combined_dist = Discrete.merge(dist_discrete, discrete_probs)
-        combined_dist._intensity = np.sum(combined_dist.p)
 
         # Replace multiple discrete distributions with merged
         for idx in reversed(discrete_index):
@@ -611,8 +609,7 @@ def combine_distributions(dists, probs):
 
     # Combine discrete and continuous if present
     if len(dist_list) > 1:
-        probs = [d._intensity for d in dist_list]
+        probs = [d.integral() for d in dist_list]
         dist_list[:] = [Mixture(probs, dist_list.copy())]
-        dist_list[0]._intensity = sum(probs)
 
     return dist_list[0]

From 7c779f73f8aa70c43283e4bbed2404ece2b2ab3a Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Mon, 18 Jul 2022 07:18:23 -0500
Subject: [PATCH 0658/2654] Move combine_distributions to univariate.py

---
 docs/source/pythonapi/data.rst |  1 +
 openmc/data/decay.py           | 49 +---------------------------------
 openmc/stats/univariate.py     | 49 ++++++++++++++++++++++++++++++++++
 3 files changed, 51 insertions(+), 48 deletions(-)

diff --git a/docs/source/pythonapi/data.rst b/docs/source/pythonapi/data.rst
index 287738774..6f56938b8 100644
--- a/docs/source/pythonapi/data.rst
+++ b/docs/source/pythonapi/data.rst
@@ -61,6 +61,7 @@ Core Functions
 
     atomic_mass
     atomic_weight
+    combine_distributions
     decay_constant
     dose_coefficients
     gnd_name
diff --git a/openmc/data/decay.py b/openmc/data/decay.py
index 874981e2b..f358dadf7 100644
--- a/openmc/data/decay.py
+++ b/openmc/data/decay.py
@@ -1,5 +1,4 @@
 from collections.abc import Iterable
-from copy import deepcopy
 from io import StringIO
 from math import log
 import re
@@ -10,7 +9,7 @@ from uncertainties import ufloat, UFloat
 
 import openmc.checkvalue as cv
 from openmc.mixin import EqualityMixin
-from openmc.stats import Discrete, Tabular, Mixture
+from openmc.stats import Discrete, Tabular, combine_distributions
 from .data import ATOMIC_SYMBOL, ATOMIC_NUMBER
 from .function import INTERPOLATION_SCHEME
 from .endf import Evaluation, get_head_record, get_list_record, get_tab1_record
@@ -567,49 +566,3 @@ class Decay(EqualityMixin):
         return merged_sources
 
 
-def combine_distributions(dists, probs):
-    """Combine distributions with specified probabilities
-
-    This function can be used to combine multiple instances of
-    :class:`~openmc.stats.Discrete` and `~openmc.stats.Tabular` into a single
-    distribution. Multiple discrete distributions are merged into a single
-    distribution and the remainder of the distributions are put into a
-    :class:`~openmc.stats.Mixture` distribution.
-
-    Parameters
-    ----------
-    dists : iterable of openmc.stats.Univariate
-        Distributions to combine
-    probs : iterable of float
-        Probability (or intensity) of each distribution
-
-    """
-    # Get copy of distribution list so as not to modify the argument
-    dist_list = deepcopy(dists)
-
-    # Get list of discrete/continuous distribution indices
-    discrete_index = [i for i, d in enumerate(dist_list) if isinstance(d, Discrete)]
-    cont_index = [i for i, d in enumerate(dist_list) if isinstance(d, Tabular)]
-
-    # Apply probabilites to continuous distributions
-    for i in cont_index:
-        dist = dist_list[i]
-        dist.p *= probs[i]
-
-    if discrete_index:
-        # Create combined discrete distribution
-        dist_discrete = [dist_list[i] for i in discrete_index]
-        discrete_probs = [probs[i] for i in discrete_index]
-        combined_dist = Discrete.merge(dist_discrete, discrete_probs)
-
-        # Replace multiple discrete distributions with merged
-        for idx in reversed(discrete_index):
-            dist_list.pop(idx)
-        dist_list.append(combined_dist)
-
-    # Combine discrete and continuous if present
-    if len(dist_list) > 1:
-        probs = [d.integral() for d in dist_list]
-        dist_list[:] = [Mixture(probs, dist_list.copy())]
-
-    return dist_list[0]
diff --git a/openmc/stats/univariate.py b/openmc/stats/univariate.py
index 733b7eaa6..f571377bf 100644
--- a/openmc/stats/univariate.py
+++ b/openmc/stats/univariate.py
@@ -1,6 +1,7 @@
 from abc import ABC, abstractmethod
 from collections import defaultdict
 from collections.abc import Iterable
+from copy import deepcopy
 from numbers import Real
 from xml.etree import ElementTree as ET
 
@@ -1238,3 +1239,51 @@ class Mixture(Univariate):
             p*dist.integral()
             for p, dist in zip(self.probability, self.distribution)
         ])
+
+
+def combine_distributions(dists, probs):
+    """Combine distributions with specified probabilities
+
+    This function can be used to combine multiple instances of
+    :class:`~openmc.stats.Discrete` and `~openmc.stats.Tabular` into a single
+    distribution. Multiple discrete distributions are merged into a single
+    distribution and the remainder of the distributions are put into a
+    :class:`~openmc.stats.Mixture` distribution.
+
+    Parameters
+    ----------
+    dists : iterable of openmc.stats.Univariate
+        Distributions to combine
+    probs : iterable of float
+        Probability (or intensity) of each distribution
+
+    """
+    # Get copy of distribution list so as not to modify the argument
+    dist_list = deepcopy(dists)
+
+    # Get list of discrete/continuous distribution indices
+    discrete_index = [i for i, d in enumerate(dist_list) if isinstance(d, Discrete)]
+    cont_index = [i for i, d in enumerate(dist_list) if isinstance(d, Tabular)]
+
+    # Apply probabilites to continuous distributions
+    for i in cont_index:
+        dist = dist_list[i]
+        dist.p *= probs[i]
+
+    if discrete_index:
+        # Create combined discrete distribution
+        dist_discrete = [dist_list[i] for i in discrete_index]
+        discrete_probs = [probs[i] for i in discrete_index]
+        combined_dist = Discrete.merge(dist_discrete, discrete_probs)
+
+        # Replace multiple discrete distributions with merged
+        for idx in reversed(discrete_index):
+            dist_list.pop(idx)
+        dist_list.append(combined_dist)
+
+    # Combine discrete and continuous if present
+    if len(dist_list) > 1:
+        probs = [d.integral() for d in dist_list]
+        dist_list[:] = [Mixture(probs, dist_list.copy())]
+
+    return dist_list[0]

From 5a9662aa9fbe0743a10a0f778910475dc9507a3a Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Mon, 18 Jul 2022 10:54:58 -0500
Subject: [PATCH 0659/2654] Add test for combine_distributions, use np.array in
 Discrete/Tabular setters

---
 openmc/stats/univariate.py     | 22 +++++++++----------
 tests/unit_tests/test_stats.py | 39 ++++++++++++++++++++++++++++++----
 2 files changed, 46 insertions(+), 15 deletions(-)

diff --git a/openmc/stats/univariate.py b/openmc/stats/univariate.py
index f571377bf..e11c9b50e 100644
--- a/openmc/stats/univariate.py
+++ b/openmc/stats/univariate.py
@@ -96,9 +96,9 @@ class Discrete(Univariate):
 
     Attributes
     ----------
-    x : Iterable of float
+    x : numpy.ndarray
         Values of the random variable
-    p : Iterable of float
+    p : numpy.ndarray
         Discrete probability for each value
 
     """
@@ -123,7 +123,7 @@ class Discrete(Univariate):
         if isinstance(x, Real):
             x = [x]
         cv.check_type('discrete values', x, Iterable, Real)
-        self._x = x
+        self._x = np.array(x, dtype=float)
 
     @p.setter
     def p(self, p):
@@ -132,7 +132,7 @@ class Discrete(Univariate):
         cv.check_type('discrete probabilities', p, Iterable, Real)
         for pk in p:
             cv.check_greater_than('discrete probability', pk, 0.0, True)
-        self._p = p
+        self._p = np.array(p, dtype=float)
 
     def cdf(self):
         return np.insert(np.cumsum(self.p), 0, 0.0)
@@ -836,9 +836,9 @@ class Tabular(Univariate):
 
     Attributes
     ----------
-    x : Iterable of float
+    x : numpy.ndarray
         Tabulated values of the random variable
-    p : Iterable of float
+    p : numpy.ndarray
         Tabulated probabilities
     interpolation : {'histogram', 'linear-linear', 'linear-log', 'log-linear', 'log-log'}, optional
         Indicate whether the density function is constant between tabulated
@@ -871,7 +871,7 @@ class Tabular(Univariate):
     @x.setter
     def x(self, x):
         cv.check_type('tabulated values', x, Iterable, Real)
-        self._x = x
+        self._x = np.array(x, dtype=float)
 
     @p.setter
     def p(self, p):
@@ -879,7 +879,7 @@ class Tabular(Univariate):
         if not self._ignore_negative:
             for pk in p:
                 cv.check_greater_than('tabulated probability', pk, 0.0, True)
-        self._p = p
+        self._p = np.array(p, dtype=float)
 
     @interpolation.setter
     def interpolation(self, interpolation):
@@ -892,8 +892,8 @@ class Tabular(Univariate):
                                       'distributions using histogram or '
                                       'linear-linear interpolation')
         c = np.zeros_like(self.x)
-        x = np.asarray(self.x)
-        p = np.asarray(self.p)
+        x = self.x
+        p = self.p
 
         if self.interpolation == 'histogram':
             c[1:] = p[:-1] * np.diff(x)
@@ -933,7 +933,7 @@ class Tabular(Univariate):
 
     def normalize(self):
         """Normalize the probabilities stored on the distribution"""
-        self.p = np.asarray(self.p) / self.cdf().max()
+        self.p /= self.cdf().max()
 
     def sample(self, n_samples=1, seed=None):
         if not self.interpolation in ('histogram', 'linear-linear'):
diff --git a/tests/unit_tests/test_stats.py b/tests/unit_tests/test_stats.py
index b57f9578a..404cecd13 100644
--- a/tests/unit_tests/test_stats.py
+++ b/tests/unit_tests/test_stats.py
@@ -13,8 +13,8 @@ def test_discrete():
     elem = d.to_xml_element('distribution')
 
     d = openmc.stats.Discrete.from_xml_element(elem)
-    assert d.x == x
-    assert d.p == p
+    np.testing.assert_array_equal(d.x, x)
+    np.testing.assert_array_equal(d.p, p)
     assert len(d) == len(x)
 
     d = openmc.stats.Univariate.from_xml_element(elem)
@@ -76,8 +76,8 @@ def test_uniform():
     assert len(d) == 2
 
     t = d.to_tabular()
-    assert t.x == [a, b]
-    assert t.p == [1/(b-a), 1/(b-a)]
+    np.testing.assert_array_equal(t.x, [a, b])
+    np.testing.assert_array_equal(t.p, [1/(b-a), 1/(b-a)])
     assert t.interpolation == 'histogram'
 
     exp_mean = 0.5 * (a + b)
@@ -396,3 +396,34 @@ def test_muir():
     assert within_2_sigma / n_samples >= 0.95
     within_3_sigma = np.count_nonzero(samples < 3*d.std_dev)
     assert within_3_sigma / n_samples >= 0.99
+
+
+def test_combine_distributions():
+    # Combine two discrete (same data as in test_merge_discrete)
+    x1 = [0.0, 1.0, 10.0]
+    p1 = [0.3, 0.2, 0.5]
+    d1 = openmc.stats.Discrete(x1, p1)
+    x2 = [0.5, 1.0, 5.0]
+    p2 = [0.4, 0.5, 0.1]
+    d2 = openmc.stats.Discrete(x2, p2)
+
+    # Merged distribution should have x values sorted and probabilities
+    # appropriately combined. Duplicate x values should appear once.
+    merged = openmc.stats.combine_distributions([d1, d2], [0.6, 0.4])
+    assert isinstance(merged, openmc.stats.Discrete)
+    assert merged.x == pytest.approx([0.0, 0.5, 1.0, 5.0, 10.0])
+    assert merged.p == pytest.approx(
+        [0.6*0.3, 0.4*0.4, 0.6*0.2 + 0.4*0.5, 0.4*0.1, 0.6*0.5])
+
+    # Probabilities add up but are not normalized
+    d1 = openmc.stats.Discrete([3.0], [1.0])
+    triple = openmc.stats.combine_distributions([d1, d1, d1], [1.0, 2.0, 3.0])
+    assert triple.x == pytest.approx([3.0])
+    assert triple.p == pytest.approx([6.0])
+
+    # Combine discrete and tabular
+    t1 = openmc.stats.Tabular(x2, p2)
+    mixed = openmc.stats.combine_distributions([d1, t1], [0.5, 0.5])
+    assert isinstance(mixed, openmc.stats.Mixture)
+    assert len(mixed.distribution) == 2
+    assert len(mixed.probability) == 2

From a68a3ede6a6fc85d0b8ac6eacd7b139fbbe6278e Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Mon, 18 Jul 2022 13:30:31 -0500
Subject: [PATCH 0660/2654] Change get_sources() -> sources property and add
 test

---
 openmc/data/decay.py                | 27 ++++++++++++----------
 openmc/stats/univariate.py          |  8 +++++++
 tests/unit_tests/test_data_decay.py | 35 +++++++++++++++++++++++++++++
 3 files changed, 58 insertions(+), 12 deletions(-)

diff --git a/openmc/data/decay.py b/openmc/data/decay.py
index f358dadf7..96c3f562a 100644
--- a/openmc/data/decay.py
+++ b/openmc/data/decay.py
@@ -316,6 +316,12 @@ class Decay(EqualityMixin):
         'excited_state', 'mass', 'stable', 'spin', and 'parity'.
     spectra : dict
         Resulting radiation spectra for each radiation type.
+    sources : dict
+        Radioactive decay source distributions represented as a dictionary
+        mapping particle types (e.g., 'photon') to instances of
+        :class:`openmc.stats.Univariate`.
+
+        .. versionadded:: 0.13.1
 
     """
     def __init__(self, ev_or_filename):
@@ -498,16 +504,14 @@ class Decay(EqualityMixin):
         """
         return cls(ev_or_filename)
 
-    def get_sources(self):
-        """Get radioactive decay source distributions
+    @property
+    def sources(self):
+        """Radioactive decay source distributions"""
+        # If property has been computed already, return it
+        # TODO: Replace with functools.cached_property when support is Python 3.9+
+        if self._sources is not None:
+            return self._sources
 
-        Returns
-        -------
-        sources : dict
-            Dictionary mapping particle types (e.g., 'photon') to instances of
-            :class:`openmc.stats.Univariate`
-
-        """
         sources = {}
         name = self.nuclide['name']
         decay_constant = self.decay_constant.n
@@ -563,6 +567,5 @@ class Decay(EqualityMixin):
             merged_sources[particle_type] = combine_distributions(
                 dist_list, [1.0]*len(dist_list))
 
-        return merged_sources
-
-
+        self._sources = merged_sources
+        return self._sources
diff --git a/openmc/stats/univariate.py b/openmc/stats/univariate.py
index e11c9b50e..66c6e5f06 100644
--- a/openmc/stats/univariate.py
+++ b/openmc/stats/univariate.py
@@ -224,6 +224,8 @@ class Discrete(Univariate):
     def integral(self):
         """Return integral of distribution
 
+        .. versionadded:: 0.13.1
+
         Returns
         -------
         float
@@ -1041,6 +1043,8 @@ class Tabular(Univariate):
     def integral(self):
         """Return integral of distribution
 
+        .. versionadded: 0.13.1
+
         Returns
         -------
         float
@@ -1230,6 +1234,8 @@ class Mixture(Univariate):
     def integral(self):
         """Return integral of the distribution
 
+        .. versionadded:: 0.13.1
+
         Returns
         -------
         float
@@ -1250,6 +1256,8 @@ def combine_distributions(dists, probs):
     distribution and the remainder of the distributions are put into a
     :class:`~openmc.stats.Mixture` distribution.
 
+    .. versionadded:: 0.13.1
+
     Parameters
     ----------
     dists : iterable of openmc.stats.Univariate
diff --git a/tests/unit_tests/test_data_decay.py b/tests/unit_tests/test_data_decay.py
index 06b8e6bed..f0bda1bd9 100644
--- a/tests/unit_tests/test_data_decay.py
+++ b/tests/unit_tests/test_data_decay.py
@@ -23,6 +23,14 @@ def nb90():
     return openmc.data.Decay.from_endf(filename)
 
 
+@pytest.fixture(scope='module')
+def ba137m():
+    """Ba137_m1 decay data."""
+    endf_data = os.environ['OPENMC_ENDF_DATA']
+    filename = os.path.join(endf_data, 'decay', 'dec-056_Ba_137m1.endf')
+    return openmc.data.Decay.from_endf(filename)
+
+
 @pytest.fixture(scope='module')
 def u235_yields():
     """U235 fission product yield data."""
@@ -48,6 +56,7 @@ def test_nb90_halflife(nb90):
     ufloat_close(nb90.decay_constant, log(2.)/nb90.half_life)
     ufloat_close(nb90.decay_energy, ufloat(2265527.5, 25159.400474401213))
 
+
 def test_nb90_nuclide(nb90):
     assert nb90.nuclide['atomic_number'] == 41
     assert nb90.nuclide['mass_number'] == 90
@@ -91,3 +100,29 @@ def test_fpy(u235_yields):
     assert len(u235_yields.independent) == 3
     thermal = u235_yields.independent[0]
     ufloat_close(thermal['I135'], ufloat(0.0292737, 0.000819663))
+
+
+def test_sources(ba137m, nb90):
+    # Running .sources twice should give same objects
+    sources = ba137m.sources
+    sources2 = ba137m.sources
+    for key in sources:
+        assert sources[key] is sources2[key]
+
+    # Each source should be a univariate distribution
+    for dist in sources.values():
+        assert isinstance(dist, openmc.stats.Univariate)
+
+    # Check for presence of 662 keV gamma ray in decay of Ba137m
+    gamma_source = ba137m.sources['photon']
+    assert isinstance(gamma_source, openmc.stats.Discrete)
+    b = np.isclose(gamma_source.x, 661657.)
+    assert np.count_nonzero(b) == 1
+
+    # Check value of decay/s/atom
+    idx = np.flatnonzero(b)[0]
+    assert gamma_source.p[idx] == pytest.approx(0.004069614)
+
+    # Nb90 decays by β+ and should emit positrons, electrons, and photons
+    sources = nb90.sources
+    assert len(set(sources.keys()) ^ {'positron', 'electron', 'photon'}) == 0

From 3e5afd21eb67512c05111ad49e848b52f85dc981 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 22 Jul 2022 16:42:24 -0500
Subject: [PATCH 0661/2654] Add missing definition of _sources in
 Decay.__init__

---
 openmc/data/decay.py | 1 +
 1 file changed, 1 insertion(+)

diff --git a/openmc/data/decay.py b/openmc/data/decay.py
index 96c3f562a..2c2505bf5 100644
--- a/openmc/data/decay.py
+++ b/openmc/data/decay.py
@@ -337,6 +337,7 @@ class Decay(EqualityMixin):
         self.modes = []
         self.spectra = {}
         self.average_energies = {}
+        self._sources = None
 
         # Get head record
         items = get_head_record(file_obj)

From 717115938df14c8561da1052dd2e849bdc26b4bb Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Mon, 25 Jul 2022 16:25:29 +0100
Subject: [PATCH 0662/2654] updating fill id to match

---
 tests/regression_tests/dagmc/universes/inputs_true.dat | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/tests/regression_tests/dagmc/universes/inputs_true.dat b/tests/regression_tests/dagmc/universes/inputs_true.dat
index 1a5ca7486..2165a78b6 100644
--- a/tests/regression_tests/dagmc/universes/inputs_true.dat
+++ b/tests/regression_tests/dagmc/universes/inputs_true.dat
@@ -1,6 +1,6 @@
 <?xml version='1.0' encoding='utf-8'?>
 <geometry>
-  <cell fill="12" id="14" region="22 -23 24 -25 26 -27" universe="13" />
+  <cell fill="12" id="13" region="22 -23 24 -25 26 -27" universe="13" />
   <dagmc_universe auto_geom_ids="true" filename="dagmc.h5m" id="9" />
   <lattice id="12">
     <pitch>24.0 24.0</pitch>

From 29a741a441269d511b824e106b0b29a63493333a Mon Sep 17 00:00:00 2001
From: myerspat <myerspat@umich.edu>
Date: Mon, 25 Jul 2022 11:58:16 -0500
Subject: [PATCH 0663/2654] added infix evaluation and removed conversion of
 infix to postfix

---
 src/cell.cpp | 79 +++++++++++++++++++++++++---------------------------
 1 file changed, 38 insertions(+), 41 deletions(-)

diff --git a/src/cell.cpp b/src/cell.cpp
index f9786ce3e..2e26e2c17 100644
--- a/src/cell.cpp
+++ b/src/cell.cpp
@@ -515,7 +515,8 @@ CSGCell::CSGCell(pugi::xml_node cell_node)
   }
 
   // Convert the infix region spec to RPN.
-  rpn_ = generate_rpn(id_, region_);
+  //rpn_ = generate_rpn(id_, region_);
+  rpn_ = region_;
 
   // Check if this is a simple cell.
   simple_ = true;
@@ -768,50 +769,46 @@ bool CSGCell::contains_simple(Position r, Direction u, int32_t on_surface) const
 bool CSGCell::contains_complex(
   Position r, Direction u, int32_t on_surface) const
 {
-  // Make a stack of booleans.  We don't know how big it needs to be, but we do
-  // know that rpn.size() is an upper-bound.
-  vector<bool> stack(rpn_.size());
-  int i_stack = -1;
+  bool in_cell = true;
+  bool negate = false;
+  int paren_depth = 0;
+  int negate_depth = 0;
 
   for (int32_t token : rpn_) {
-    // If the token is a binary operator (intersection/union), apply it to
-    // the last two items on the stack. If the token is a unary operator
-    // (complement), apply it to the last item on the stack.
-    if (token == OP_UNION) {
-      stack[i_stack - 1] = stack[i_stack - 1] || stack[i_stack];
-      i_stack--;
-    } else if (token == OP_INTERSECTION) {
-      stack[i_stack - 1] = stack[i_stack - 1] && stack[i_stack];
-      i_stack--;
-    } else if (token == OP_COMPLEMENT) {
-      stack[i_stack] = !stack[i_stack];
-    } else {
-      // If the token is not an operator, evaluate the sense of particle with
-      // respect to the surface and see if the token matches the sense. If the
-      // particle's surface attribute is set and matches the token, that
-      // overrides the determination based on sense().
-      i_stack++;
-      if (token == on_surface) {
-        stack[i_stack] = true;
-      } else if (-token == on_surface) {
-        stack[i_stack] = false;
-      } else {
-        // Note the off-by-one indexing
-        bool sense = model::surfaces[abs(token) - 1]->sense(r, u);
-        stack[i_stack] = (sense == (token > 0));
-      }
-    }
-  }
+     if (token < OP_UNION && in_cell == true) {
+       if (token == on_surface) {
+         in_cell = true;
+       } else if (-token == on_surface) {
+         in_cell = false;
+       } else {
+         // Note the off-by-one
+         bool sense = model::surfaces[abs(token) - 1]->sense(r, u);
+         in_cell = (sense == (token > 0));
+       }
+     } else if (token == OP_UNION) {
+       if (in_cell == false) {
+         in_cell = true;
+       } else if (paren_depth == 0) {
+         break;
+       }
+     } else if (token == OP_RIGHT_PAREN) {
+       paren_depth--;
+     } else if (token == OP_LEFT_PAREN) {
+       paren_depth++;
+     } else if (token == OP_COMPLEMENT) {
+       negate = true;
+       negate_depth = paren_depth;
+       continue;
+     } else if (paren_depth == 0) {
+       break;
+     }
 
-  if (i_stack == 0) {
-    // The one remaining bool on the stack indicates whether the particle is
-    // in the cell.
-    return stack[i_stack];
-  } else {
-    // This case occurs if there is no region specification since i_stack will
-    // still be -1.
-    return true;
+      if (negate == true && negate_depth == paren_depth) {
+        in_cell = !in_cell;
+        negate = false;
+      }
   }
+  return in_cell;
 }
 
 //==============================================================================

From b93ab95ba14e7af55442cc9d9ec154e1d34b48ed Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Tue, 31 May 2022 08:33:43 -0500
Subject: [PATCH 0664/2654] Adding more mesh interrogation options for the
 libmesh

Finishing methods for connectivity and coordinates.

Writing vertices and connectivity to statepoint file

Loading vertices and connectivity from statepoint. Correcting string repr

Correcting connectivity length

Adding method to write the mesh elements to VTK with data applied.

Updating hdf5 output to include element types

Adding support for hex elements when writing unstructured meshes to VTK

Adding simple check for VTK writing if the module is present

Removing centroids from the statepoint file and Python UM class

Updating test check for vtk

Adding warning for skipped elements. Correcting element type

Adding warning for skipped elements.

Using an enum to indicate element types for readability

Updating to element types on the Python side as well

Handling integer data applied to VTK files.

Doc updates for Python API UM class

Incrementing statepoint version number

Refactor of unstructured mesh tests to extract model

Updating inputs for floating point surface coefficients

Adding test for hexes and refactoring comparison funcs

Updating reference mesh files

Adding reference file for the hexes test case

Passing test for hex mesh

Adding inputs for the hexes test case.

Adding hex test meshes.

Skipping hex mesh test if not built with libmesh

Adding small VTK write tests for unstructured mesh.

Allowing file path to be a pathlib path.

Adding skips if libmesh or dagmc not enabled

Adding a few comments to test file

Changing where conversion to str happens for mesh filename. Setting output to false.

Removing VTK check from unstructured mesh regression test

Removnig VTK test files for regression test -- too large

Adding __init__.py file for pytest
---
 include/openmc/constants.h                    |   2 +-
 include/openmc/mesh.h                         |  39 +++
 openmc/mesh.py                                | 239 +++++++++-----
 openmc/statepoint.py                          |   2 +-
 src/mesh.cpp                                  | 134 +++++++-
 .../unstructured_mesh/inputs_true.dat         |  91 ++++++
 .../unstructured_mesh/inputs_true0.dat        |  12 +-
 .../unstructured_mesh/inputs_true1.dat        |  12 +-
 .../unstructured_mesh/inputs_true10.dat       |  12 +-
 .../unstructured_mesh/inputs_true11.dat       |  12 +-
 .../unstructured_mesh/inputs_true12.dat       |  12 +-
 .../unstructured_mesh/inputs_true13.dat       |  12 +-
 .../unstructured_mesh/inputs_true14.dat       |  12 +-
 .../unstructured_mesh/inputs_true15.dat       |  12 +-
 .../unstructured_mesh/inputs_true2.dat        |  12 +-
 .../unstructured_mesh/inputs_true3.dat        |  12 +-
 .../unstructured_mesh/inputs_true8.dat        |  12 +-
 .../unstructured_mesh/inputs_true9.dat        |  12 +-
 .../unstructured_mesh/test.py                 | 213 ++++++++-----
 .../unstructured_mesh/test_mesh_hexes.e       |   1 +
 .../unstructured_mesh/test_mesh_hexes.exo     | Bin 0 -> 79668 bytes
 tests/unit_tests/mesh_to_vtk/__init__.py      |   0
 tests/unit_tests/mesh_to_vtk/hexes.exo        | Bin 0 -> 4700 bytes
 .../mesh_to_vtk/libmesh_hexes_ref.vtk         |  76 +++++
 .../mesh_to_vtk/libmesh_tets_ref.vtk          | 292 ++++++++++++++++++
 .../unit_tests/mesh_to_vtk/moab_tets_ref.vtk  |   1 +
 tests/unit_tests/mesh_to_vtk/test.py          |  70 +++++
 tests/unit_tests/mesh_to_vtk/tets.exo         | Bin 0 -> 7708 bytes
 tests/unit_tests/mesh_to_vtk/umesh.vtk        | 292 ++++++++++++++++++
 29 files changed, 1344 insertions(+), 252 deletions(-)
 create mode 100644 tests/regression_tests/unstructured_mesh/inputs_true.dat
 create mode 120000 tests/regression_tests/unstructured_mesh/test_mesh_hexes.e
 create mode 100644 tests/regression_tests/unstructured_mesh/test_mesh_hexes.exo
 create mode 100644 tests/unit_tests/mesh_to_vtk/__init__.py
 create mode 100644 tests/unit_tests/mesh_to_vtk/hexes.exo
 create mode 100644 tests/unit_tests/mesh_to_vtk/libmesh_hexes_ref.vtk
 create mode 100644 tests/unit_tests/mesh_to_vtk/libmesh_tets_ref.vtk
 create mode 120000 tests/unit_tests/mesh_to_vtk/moab_tets_ref.vtk
 create mode 100644 tests/unit_tests/mesh_to_vtk/test.py
 create mode 100644 tests/unit_tests/mesh_to_vtk/tets.exo
 create mode 100644 tests/unit_tests/mesh_to_vtk/umesh.vtk

diff --git a/include/openmc/constants.h b/include/openmc/constants.h
index 73f96ff95..a7362ea9e 100644
--- a/include/openmc/constants.h
+++ b/include/openmc/constants.h
@@ -24,7 +24,7 @@ using double_4dvec = vector<vector<vector<vector<double>>>>;
 constexpr int HDF5_VERSION[] {3, 0};
 
 // Version numbers for binary files
-constexpr array<int, 2> VERSION_STATEPOINT {17, 0};
+constexpr array<int, 2> VERSION_STATEPOINT {18, 0};
 constexpr array<int, 2> VERSION_PARTICLE_RESTART {2, 0};
 constexpr array<int, 2> VERSION_TRACK {3, 0};
 constexpr array<int, 2> VERSION_SUMMARY {6, 0};
diff --git a/include/openmc/mesh.h b/include/openmc/mesh.h
index 21c58862d..1ff20dc11 100644
--- a/include/openmc/mesh.h
+++ b/include/openmc/mesh.h
@@ -36,6 +36,12 @@
 
 namespace openmc {
 
+//==============================================================================
+// Constants
+//==============================================================================
+
+enum class ElementType { UNSUPPORTED=-1, LINEAR_TET, LINEAR_HEX };
+
 //==============================================================================
 // Global variables
 //==============================================================================
@@ -485,6 +491,23 @@ public:
   //! \return The centroid of the bin
   virtual Position centroid(int bin) const = 0;
 
+  //! Get the number of vertices in the mesh
+  //
+  //! \return Number of vertices
+  virtual int n_vertices() const = 0;
+
+  //! Retrieve a vertex of the mesh
+  //
+  //! \param[in] vertex ID
+  //! \return vertex coordinates
+  virtual Position vertex(int id) const = 0;
+
+  //! Retrieve connectivity of a mesh element
+  //
+  //! \param[in] element ID
+  //! \return element connectivity as IDs of the vertices
+  virtual std::vector<int> connectivity(int id) const = 0;
+
   //! Get the volume of a mesh bin
   //
   //! \param[in] bin Bin to return the volume for
@@ -557,6 +580,12 @@ public:
 
   Position centroid(int bin) const override;
 
+  int n_vertices() const override;
+
+  Position vertex(int id) const override;
+
+  std::vector<int> connectivity(int id) const override;
+
   double volume(int bin) const override;
 
 private:
@@ -621,6 +650,9 @@ private:
   //! \return MOAB EntityHandle of tet
   moab::EntityHandle get_ent_handle_from_bin(int bin) const;
 
+  //! Get a vertex index into the global range from a handle
+  int get_vert_idx_from_handle(moab::EntityHandle vert) const;
+
   //! Get the bin for a given mesh cell index
   //
   //! \param[in] idx Index of the mesh cell.
@@ -655,6 +687,7 @@ private:
 
   // Data members
   moab::Range ehs_; //!< Range of tetrahedra EntityHandle's in the mesh
+  moab::Range verts_; //!< Range of vertex EntityHandle's in the mesh
   moab::EntityHandle tetset_;      //!< EntitySet containing all tetrahedra
   moab::EntityHandle kdtree_root_; //!< Root of the MOAB KDTree
   std::shared_ptr<moab::Interface> mbi_;    //!< MOAB instance
@@ -701,6 +734,12 @@ public:
 
   Position centroid(int bin) const override;
 
+  int n_vertices() const override;
+
+  Position vertex(int id) const override;
+
+  std::vector<int> connectivity(int id) const override;
+
   double volume(int bin) const override;
 
 private:
diff --git a/openmc/mesh.py b/openmc/mesh.py
index 4af701892..601d0ac94 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -2,6 +2,7 @@ from abc import ABC, abstractmethod
 from collections.abc import Iterable
 from math import pi
 from numbers import Real, Integral
+from pathlib import Path
 import warnings
 from xml.etree import ElementTree as ET
 
@@ -1440,7 +1441,7 @@ class UnstructuredMesh(MeshBase):
 
     Parameters
     ----------
-    filename : str
+    filename : str or pathlib.Path
         Location of the unstructured mesh file
     library : {'moab', 'libmesh'}
         Mesh library used for the unstructured mesh tally
@@ -1468,20 +1469,41 @@ class UnstructuredMesh(MeshBase):
         be generated for this mesh
     volumes : Iterable of float
         Volumes of the unstructured mesh elements
+    centroids : np.narray (3, n_elements)
+        Centroids of the mesh elements
+
+    vertices : np.ndarray (3,)
+        Coordinates of the mesh vertices
+
+        .. versionadded:: 0.13
+
+    connectivity : np.ndarray (8, n_elements)
+        Connectivity of the elements
+
+        .. versionadded:: 0.13
+
+    element_types : Iterable of integers
+        Mesh element types
+
+        .. versionadded:: 0.13
     total_volume : float
         Volume of the unstructured mesh in total
-    centroids : Iterable of tuple
-        An iterable of element centroid coordinates, e.g. [(0.0, 0.0, 0.0),
-        (1.0, 1.0, 1.0), ...]
     """
+
+    _UNSUPPORTED_ELEM = -1
+    _LINEAR_TET = 0
+    _LINEAR_HEX = 1
+
     def __init__(self, filename, library, mesh_id=None, name='',
                  length_multiplier=1.0):
         super().__init__(mesh_id, name)
         self.filename = filename
         self._volumes = None
-        self._centroids = None
+        self._n_elements = None
+        self._conectivity = None
+        self._vertices = None
         self.library = library
-        self._output = True
+        self._output = False
         self.length_multiplier = length_multiplier
 
     @property
@@ -1490,7 +1512,7 @@ class UnstructuredMesh(MeshBase):
 
     @filename.setter
     def filename(self, filename):
-        cv.check_type('Unstructured Mesh filename', filename, str)
+        cv.check_type('Unstructured Mesh filename', filename, (str, Path))
         self._filename = filename
 
     @property
@@ -1546,12 +1568,33 @@ class UnstructuredMesh(MeshBase):
     def centroids(self):
         return self._centroids
 
+    @property
+    def vertices(self):
+        return self._vertices
+
+    @property
+    def connectivity(self):
+        return self._connectivity
+
+    @property
+    def element_types(self):
+        return self._element_types
+
+    @property
+    def centroids(self):
+        return np.array([self.centroid(i) for i in range(self.n_elements)])
+
     @property
     def n_elements(self):
-        if self._centroids is None:
+        if self._n_elements is None:
             raise RuntimeError("No information about this mesh has "
                                "been loaded from a statepoint file.")
-        return len(self._centroids)
+        return self._n_elements
+
+    @n_elements.setter
+    def n_elements(self, val):
+        cv.check_type('Number of elements', val, Integral)
+        self._n_elements = val
 
 
     @centroids.setter
@@ -1579,23 +1622,27 @@ class UnstructuredMesh(MeshBase):
     def n_dimension(self):
         return 3
 
-    @property
-    def vertices(self):
-        raise NotImplementedError("Vertices for UnstructuredMesh objects are "
-                                  "not yet available")
-
     def __repr__(self):
         string = super().__repr__()
         string += '{: <16}=\t{}\n'.format('\tFilename', self.filename)
-        string += '{: <16}=\t{}\n'.format('\tMesh Library', self.mesh_lib)
+        string += '{: <16}=\t{}\n'.format('\tMesh Library', self.library)
         if self.length_multiplier != 1.0:
             string += '{: <16}=\t{}\n'.format('\tLength multiplier',
                                               self.length_multiplier)
         return string
 
-    def write_data_to_vtk(self, filename, datasets, volume_normalization=True):
-        """Map data to the unstructured mesh element centroids
-           to create a VTK point-cloud dataset.
+    def centroid(self, bin):
+        """Return the vertex averaged centroid of an element
+        """
+        conn = self.connectivity[bin]
+        coords = self.vertices[conn]
+        return coords.mean(axis=0)
+
+    def write_vtk_mesh(self, **kwargs):
+        """Map data to unstructured VTK mesh elements.
+
+        .. deprecated:: 0.13
+          Use :func:`UnstructuredMesh.write_data_to_vtk` instead.
 
         Parameters
         ----------
@@ -1607,83 +1654,105 @@ class UnstructuredMesh(MeshBase):
         volume_normalization : bool
             Whether or not to normalize the data by the
             volume of the mesh elements
-
-        Raises
-        ------
-            RuntimeError
-                when the size of a dataset doesn't match the number of cells
         """
+        warnings.warn(
+            "The 'UnstructuredMesh.write_vtk_mesh' method has been renamed "
+            "to 'write_data_to_vtk' and will be removed in a future version "
+            " of OpenMC.", FutureWarning
+        )
+        self.write_data_to_vtk(**kwargs)
 
+    def write_data_to_vtk(self, filename=None, datasets=None, volume_normalization=True):
+        """Map data to unstructured VTK mesh elements.
+
+        Parameters
+        ----------
+        filename : str or pathlib.Path
+            Name of the VTK file to write
+        datasets : dict
+            Dictionary whose keys are the data labels
+            and values are numpy appropriately sized arrays
+            of the data
+        volume_normalization : bool
+            Whether or not to normalize the data by the
+            volume of the mesh elements
+        """
         import vtk
-        from vtk.util import numpy_support as vtk_npsup
+        from vtk.util import numpy_support as nps
 
-        if self.centroids is None:
-            raise RuntimeError("No centroid information is present on this "
-                               "unstructured mesh. Please load this "
-                               "information from a relevant statepoint file.")
+        if self.connectivity is None or self.vertices is None:
+            raise RuntimeError('This mesh has not been '
+                               'loaded from a statepoint file.')
 
-        if self.volumes is None and volume_normalization:
-            raise RuntimeError("No volume data is present on this "
-                               "unstructured mesh. Please load the "
-                               " mesh information from a statepoint file.")
+        if filename is None:
+            filename = f'mesh_{self.id}.vtk'
 
-        # check that the data sets are appropriately sized
-        errmsg = "The size of the dataset {} should be equal to the number of cells"
-        for label, dataset in datasets.items():
-            if isinstance(dataset, np.ndarray):
-                if not dataset.size == self.dimension[0] * self.dimension[1]* self.dimension[2]:
-                    raise RuntimeError(errmsg.format(label))
+        writer = vtk.vtkUnstructuredGridWriter()
+
+        writer.SetFileName(str(filename))
+
+        grid = vtk.vtkUnstructuredGrid()
+
+        vtk_pnts = vtk.vtkPoints()
+        vtk_pnts.SetData(nps.numpy_to_vtk(self.vertices))
+        grid.SetPoints(vtk_pnts)
+
+        n_skipped = 0
+        elems = []
+        for elem_type, conn in zip(self.element_types, self.connectivity):
+            if elem_type == self._LINEAR_TET:
+                elem = vtk.vtkTetra()
+            elif elem_type == self._LINEAR_HEX:
+                elem = vtk.vtkHexahedron()
+            elif elem_type == self._UNSUPPORTED_ELEM:
+                n_skipped += 1
             else:
-                if len(dataset) == self.dimension[0] * self.dimension[1]* self.dimension[2]:
-                    raise RuntimeError(errmsg.format(label))
-            cv.check_type('label', label, str)
+                raise RuntimeError(f'Invalid element type {elem_type} found')
+            for i, c in enumerate(conn):
+                if c == -1:
+                    break
+                elem.GetPointIds().SetId(i, c)
+            elems.append(elem)
 
-        # create data arrays for the cells/points
-        cell_dim = 1
-        vertices = vtk.vtkCellArray()
-        points = vtk.vtkPoints()
+        if n_skipped > 0:
+            warnings.warn(f'{n_skipped} elements were not written because '
+                          'they are not of type linear tet/hex')
 
-        for centroid in self.centroids:
-            # create a point for each centroid
-            point_id = points.InsertNextPoint(centroid * self.length_multiplier)
-            # create a cell of type "Vertex" for each point
-            cell_id = vertices.InsertNextCell(cell_dim, (point_id,))
+        for elem in elems:
+            grid.InsertNextCell(elem.GetCellType(), elem.GetPointIds())
 
-        # create a VTK data object
-        poly_data = vtk.vtkPolyData()
-        poly_data.SetPoints(points)
-        poly_data.SetVerts(vertices)
-
-        # strange VTK nuance:
-        # data must be held in some container
-        # until the vtk file is written
-        data_holder = []
-
-        # create VTK arrays for each of
-        # the data sets
-        for label, dataset in datasets.items():
-            dataset = np.asarray(dataset).flatten()
+        # check that datasets are the correct size
+        if datasets is not None:
+            for name, data in datasets.items():
+                if data.shape != (self.dimension,):
+                    raise ValueError(f'Cannot apply dataset {name} with '
+                                     f'shape {data.shape} to mesh {self.id} '
+                                     f'with dimensions {self.dimension}')
 
             if volume_normalization:
-                dataset /= self.volumes.flatten()
+                for name, data in datasets.items():
+                    if np.issubdtype(data.dtype, np.integer):
+                        warnings.warn(f'Integer data set {name} will '
+                                      'not be volume-normalized.')
+                        continue
+                    data /= self.volumes
 
-            array = vtk.vtkDoubleArray()
-            array.SetName(label)
-            array.SetNumberOfComponents(1)
-            array.SetArray(vtk_npsup.numpy_to_vtk(dataset),
-                           dataset.size,
-                           True)
+            # add data to the mesh
+            for name, data in datasets.items():
+                arr = vtk.vtkDoubleArray()
+                arr.SetName(name)
+                arr.SetNumberOfTuples(data.size)
 
-            data_holder.append(dataset)
-            poly_data.GetPointData().AddArray(array)
+                for i in range(data.size):
+                    arr.SetTuple1(i, data.flat[i])
+                grid.GetCellData().AddArray(arr)
 
-        # set filename
-        if not filename.endswith(".vtk"):
-            filename += ".vtk"
+        if vtk.VTK_MAJOR_VERSION == 5:
+            grid.update()
+            writer.SetInput(grid)
+        else:
+            writer.SetInputData(grid)
 
-        writer = vtk.vtkGenericDataObjectWriter()
-        writer.SetFileName(filename)
-        writer.SetInputData(poly_data)
         writer.Write()
 
     @classmethod
@@ -1694,10 +1763,14 @@ class UnstructuredMesh(MeshBase):
 
         mesh = cls(filename, library, mesh_id=mesh_id)
         vol_data = group['volumes'][()]
-        centroids = group['centroids'][()]
         mesh.volumes = np.reshape(vol_data, (vol_data.shape[0],))
-        mesh.centroids = np.reshape(centroids, (vol_data.shape[0], 3))
-        mesh.size = mesh.volumes.size
+        mesh.n_elements = mesh.volumes.size
+
+        vertices = group['vertices'][()]
+        mesh._vertices = vertices.reshape((-1, 3))
+        connectvity = group['connectivity'][()]
+        mesh._connectivity = connectvity.reshape((-1, 8))
+        mesh._element_types = group['element_types'][()]
 
         if 'length_multiplier' in group:
             mesh.length_multiplier = group['length_multiplier'][()]
@@ -1719,7 +1792,7 @@ class UnstructuredMesh(MeshBase):
         element.set("type", "unstructured")
         element.set("library", self._library)
         subelement = ET.SubElement(element, "filename")
-        subelement.text = self.filename
+        subelement.text = str(self.filename)
 
         if self._length_multiplier != 1.0:
             element.set("length_multiplier", str(self.length_multiplier))
diff --git a/openmc/statepoint.py b/openmc/statepoint.py
index 630675816..138c0c718 100644
--- a/openmc/statepoint.py
+++ b/openmc/statepoint.py
@@ -11,7 +11,7 @@ from uncertainties import ufloat
 import openmc
 import openmc.checkvalue as cv
 
-_VERSION_STATEPOINT = 17
+_VERSION_STATEPOINT = 18
 
 
 class StatePoint:
diff --git a/src/mesh.cpp b/src/mesh.cpp
index e8f79aa37..e701f954e 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -220,21 +220,56 @@ void UnstructuredMesh::to_hdf5(hid_t group) const
   write_dataset(mesh_group, "type", mesh_type);
   write_dataset(mesh_group, "filename", filename_);
   write_dataset(mesh_group, "library", this->library());
-  // write volume of each element
-  vector<double> tet_vols;
-  xt::xtensor<double, 2> centroids({static_cast<size_t>(this->n_bins()), 3});
-  for (int i = 0; i < this->n_bins(); i++) {
-    tet_vols.emplace_back(this->volume(i));
-    auto c = this->centroid(i);
-    xt::view(centroids, i, xt::all()) = xt::xarray<double>({c.x, c.y, c.z});
-  }
-
-  write_dataset(mesh_group, "volumes", tet_vols);
-  write_dataset(mesh_group, "centroids", centroids);
 
   if (specified_length_multiplier_)
     write_dataset(mesh_group, "length_multiplier", length_multiplier_);
 
+  // write vertex coordinates
+  xt::xtensor<double, 2> vertices({static_cast<size_t>(this->n_vertices()), 3});
+  for (int i = 0; i < this->n_vertices(); i++) {
+    auto v = this->vertex(i);
+    xt::view(vertices, i, xt::all()) = xt::xarray<double>({v.x, v.y, v.z});
+  }
+  write_dataset(mesh_group, "vertices", vertices);
+
+  int num_elem_skipped = 0;
+
+  // write element types and connectivity
+  vector<double> volumes;
+  xt::xtensor<int, 2> connectivity ({static_cast<size_t>(this->n_bins()), 8});
+  xt::xtensor<int, 2> elem_types ({static_cast<size_t>(this->n_bins()), 1});
+  for (int i = 0; i < this->n_bins(); i++) {
+    auto conn = this->connectivity(i);
+
+    volumes.emplace_back(this->volume(i));
+
+    // write linear tet element
+    if (conn.size() == 4) {
+      xt::view(elem_types, i, xt::all()) = static_cast<int>(ElementType::LINEAR_TET);
+      xt::view(connectivity, i, xt::all()) = xt::xarray<int>({conn[0], conn[1], conn[2], conn[3],
+                                                              -1, -1, -1, -1});
+    // write linear hex element
+    } else if (conn.size() == 8) {
+      xt::view(elem_types, i, xt::all()) = static_cast<int>(ElementType::LINEAR_HEX);
+      xt::view(connectivity, i, xt::all()) = xt::xarray<int>({conn[0], conn[1], conn[2], conn[3],
+                                                              conn[4], conn[5], conn[6], conn[7]});
+    } else {
+      num_elem_skipped++;
+      xt::view(elem_types, i, xt::all()) = static_cast<int>(ElementType::UNSUPPORTED);
+      xt::view(connectivity, i, xt::all()) = xt::xarray<int>({-1, -1, -1, -1, -1, -1, -1, -1});
+    }
+  }
+
+  // warn users that some elements were skipped
+  if (num_elem_skipped > 0) {
+    warning(fmt::format("The connectivity of {} elements on mesh {} were not written "
+                        "because they are not of type linear tet/hex.", num_elem_skipped, this->id_));
+  }
+
+  write_dataset(mesh_group, "volumes", volumes);
+  write_dataset(mesh_group, "connectivity", connectivity);
+  write_dataset(mesh_group, "element_types", elem_types);
+
   close_group(mesh_group);
 }
 
@@ -1775,6 +1810,14 @@ void MOABMesh::initialize()
             filename_);
   }
 
+  // set member range of vertices
+  int vertex_dim = 0;
+  rval = mbi_->get_entities_by_dimension(0, vertex_dim, verts_);
+  if (rval != moab::MB_SUCCESS) {
+    fatal_error("Failed to get all vertex handles");
+  }
+
+
   // make an entity set for all tetrahedra
   // this is used for convenience later in output
   rval = mbi_->create_meshset(moab::MESHSET_SET, tetset_);
@@ -2124,6 +2167,14 @@ std::pair<vector<double>, vector<double>> MOABMesh::plot(
   return {};
 }
 
+int MOABMesh::get_vert_idx_from_handle(moab::EntityHandle vert) const {
+  int idx = vert - verts_[0];
+  if (idx >= n_vertices()) {
+    fatal_error(fmt::format("Invalid vertex idx {} (# vertices {})", idx, n_vertices()));
+  }
+  return idx;
+}
+
 int MOABMesh::get_bin_from_ent_handle(moab::EntityHandle eh) const
 {
   int bin = eh - ehs_[0];
@@ -2191,6 +2242,46 @@ Position MOABMesh::centroid(int bin) const
   return {centroid[0], centroid[1], centroid[2]};
 }
 
+int MOABMesh::n_vertices() const {
+  return verts_.size();
+}
+
+Position MOABMesh::vertex(int id) const {
+
+  moab::ErrorCode rval;
+
+  moab::EntityHandle vert = verts_[id];
+
+  moab::CartVect coords;
+  rval = mbi_->get_coords(&vert, 1, coords.array());
+  if (rval != moab::MB_SUCCESS) {
+    fatal_error("Failed to get the coordinates of a vertex.");
+  }
+
+  return {coords[0], coords[1], coords[2]};
+}
+
+std::vector<int> MOABMesh::connectivity(int bin) const {
+  moab::ErrorCode rval;
+
+  auto tet = get_ent_handle_from_bin(bin);
+
+  // look up the tet connectivity
+  vector<moab::EntityHandle> conn;
+  rval = mbi_->get_connectivity(&tet, 1, conn);
+  if (rval != moab::MB_SUCCESS) {
+    fatal_error("Failed to get connectivity of a mesh element.");
+    return {};
+  }
+
+  std::vector<int> verts(4);
+  for (int i = 0; i < verts.size(); i++) {
+    verts[i] = get_vert_idx_from_handle(conn[i]);
+  }
+
+  return verts;
+}
+
 std::pair<moab::Tag, moab::Tag> MOABMesh::get_score_tags(
   std::string score) const
 {
@@ -2394,6 +2485,27 @@ Position LibMesh::centroid(int bin) const
   return {centroid(0), centroid(1), centroid(2)};
 }
 
+int LibMesh::n_vertices() const
+{
+  return m_->n_nodes();
+}
+
+Position LibMesh::vertex(int vertex_id) const
+{
+  const auto node_ref = m_->node_ref(vertex_id);
+  return {node_ref(0), node_ref(1), node_ref(2)};
+}
+
+std::vector<int> LibMesh::connectivity(int elem_id) const
+{
+  std::vector<int> conn;
+  const auto* elem_ptr = m_->elem_ptr(elem_id);
+  for (int i = 0; i < elem_ptr->n_nodes(); i++) {
+    conn.push_back(elem_ptr->node_id(i));
+  }
+  return conn;
+}
+
 std::string LibMesh::library() const
 {
   return mesh_lib_type;
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true.dat b/tests/regression_tests/unstructured_mesh/inputs_true.dat
new file mode 100644
index 000000000..e556782ad
--- /dev/null
+++ b/tests/regression_tests/unstructured_mesh/inputs_true.dat
@@ -0,0 +1,91 @@
+<?xml version='1.0' encoding='utf-8'?>
+<geometry>
+  <cell id="1" material="1" name="fuel" region="1 -2 3 -4 5 -6" universe="1" />
+  <cell id="2" material="2" name="clad" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1" />
+  <cell id="3" material="3" name="water" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1" />
+  <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane" />
+  <surface coeffs="5.0" id="2" name="maximum x" type="x-plane" />
+  <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane" />
+  <surface coeffs="5.0" id="4" name="maximum y" type="y-plane" />
+  <surface coeffs="-5.0" id="5" name="minimum z" type="z-plane" />
+  <surface coeffs="5.0" id="6" name="maximum z" type="z-plane" />
+  <surface coeffs="-6.0" id="7" name="minimum x" type="x-plane" />
+  <surface coeffs="6.0" id="8" name="maximum x" type="x-plane" />
+  <surface coeffs="-6.0" id="9" name="minimum y" type="y-plane" />
+  <surface coeffs="6.0" id="10" name="maximum y" type="y-plane" />
+  <surface coeffs="-6.0" id="11" name="minimum z" type="z-plane" />
+  <surface coeffs="6.0" id="12" name="maximum z" type="z-plane" />
+  <surface boundary="vacuum" coeffs="-10.0" id="13" name="minimum x" type="x-plane" />
+  <surface boundary="vacuum" coeffs="10.0" id="14" name="maximum x" type="x-plane" />
+  <surface boundary="vacuum" coeffs="-10.0" id="15" name="minimum y" type="y-plane" />
+  <surface boundary="vacuum" coeffs="10.0" id="16" name="maximum y" type="y-plane" />
+  <surface boundary="vacuum" coeffs="-10.0" id="17" name="minimum z" type="z-plane" />
+  <surface boundary="vacuum" coeffs="10.0" id="18" name="maximum z" type="z-plane" />
+</geometry>
+<?xml version='1.0' encoding='utf-8'?>
+<materials>
+  <material depletable="true" id="1" name="fuel">
+    <density units="g/cc" value="4.5" />
+    <nuclide ao="1.0" name="U235" />
+  </material>
+  <material id="2" name="zircaloy">
+    <density units="g/cc" value="5.77" />
+    <nuclide ao="0.5145" name="Zr90" />
+    <nuclide ao="0.1122" name="Zr91" />
+    <nuclide ao="0.1715" name="Zr92" />
+    <nuclide ao="0.1738" name="Zr94" />
+    <nuclide ao="0.028" name="Zr96" />
+  </material>
+  <material id="3" name="water">
+    <density units="atom/b-cm" value="0.07416" />
+    <nuclide ao="2.0" name="H1" />
+    <nuclide ao="1.0" name="O16" />
+  </material>
+</materials>
+<?xml version='1.0' encoding='utf-8'?>
+<settings>
+  <run_mode>fixed source</run_mode>
+  <particles>1000</particles>
+  <batches>10</batches>
+  <source strength="1.0">
+    <space origin="0.0 0.0 0.0" type="spherical">
+      <r parameters="0.0 0.0" type="uniform" />
+      <cos_theta type="discrete">
+        <parameters>1.0 1.0</parameters>
+      </cos_theta>
+      <phi type="discrete">
+        <parameters>0.0 1.0</parameters>
+      </phi>
+    </space>
+    <energy type="discrete">
+      <parameters>15000000.0 1.0</parameters>
+    </energy>
+  </source>
+</settings>
+<?xml version='1.0' encoding='utf-8'?>
+<tallies>
+  <mesh id="1">
+    <dimension>10 10 10</dimension>
+    <lower_left>-10.0 -10.0 -10.0</lower_left>
+    <upper_right>10.0 10.0 10.0</upper_right>
+  </mesh>
+  <mesh id="2" library="libmesh" type="unstructured">
+    <filename>test_mesh_hexes.e</filename>
+  </mesh>
+  <filter id="1" type="mesh">
+    <bins>1</bins>
+  </filter>
+  <filter id="2" type="mesh">
+    <bins>2</bins>
+  </filter>
+  <tally id="1" name="regular mesh tally">
+    <filters>1</filters>
+    <scores>flux</scores>
+    <estimator>collision</estimator>
+  </tally>
+  <tally id="2" name="unstructured mesh tally">
+    <filters>2</filters>
+    <scores>flux</scores>
+    <estimator>collision</estimator>
+  </tally>
+</tallies>
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true0.dat b/tests/regression_tests/unstructured_mesh/inputs_true0.dat
index 1ed60d507..2e2594cde 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true0.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true0.dat
@@ -15,12 +15,12 @@
   <surface coeffs="6.0" id="10" name="maximum y" type="y-plane" />
   <surface coeffs="-6.0" id="11" name="minimum z" type="z-plane" />
   <surface coeffs="6.0" id="12" name="maximum z" type="z-plane" />
-  <surface boundary="vacuum" coeffs="-15" id="13" name="minimum x" type="x-plane" />
-  <surface boundary="vacuum" coeffs="15" id="14" name="maximum x" type="x-plane" />
-  <surface boundary="vacuum" coeffs="-15" id="15" name="minimum y" type="y-plane" />
-  <surface boundary="vacuum" coeffs="15" id="16" name="maximum y" type="y-plane" />
-  <surface boundary="vacuum" coeffs="-15" id="17" name="minimum z" type="z-plane" />
-  <surface boundary="vacuum" coeffs="15" id="18" name="maximum z" type="z-plane" />
+  <surface boundary="vacuum" coeffs="-15.0" id="13" name="minimum x" type="x-plane" />
+  <surface boundary="vacuum" coeffs="15.0" id="14" name="maximum x" type="x-plane" />
+  <surface boundary="vacuum" coeffs="-15.0" id="15" name="minimum y" type="y-plane" />
+  <surface boundary="vacuum" coeffs="15.0" id="16" name="maximum y" type="y-plane" />
+  <surface boundary="vacuum" coeffs="-15.0" id="17" name="minimum z" type="z-plane" />
+  <surface boundary="vacuum" coeffs="15.0" id="18" name="maximum z" type="z-plane" />
 </geometry>
 <?xml version='1.0' encoding='utf-8'?>
 <materials>
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true1.dat b/tests/regression_tests/unstructured_mesh/inputs_true1.dat
index 67dde56a9..84a3b186b 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true1.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true1.dat
@@ -15,12 +15,12 @@
   <surface coeffs="6.0" id="10" name="maximum y" type="y-plane" />
   <surface coeffs="-6.0" id="11" name="minimum z" type="z-plane" />
   <surface coeffs="6.0" id="12" name="maximum z" type="z-plane" />
-  <surface boundary="vacuum" coeffs="-15" id="13" name="minimum x" type="x-plane" />
-  <surface boundary="vacuum" coeffs="15" id="14" name="maximum x" type="x-plane" />
-  <surface boundary="vacuum" coeffs="-15" id="15" name="minimum y" type="y-plane" />
-  <surface boundary="vacuum" coeffs="15" id="16" name="maximum y" type="y-plane" />
-  <surface boundary="vacuum" coeffs="-15" id="17" name="minimum z" type="z-plane" />
-  <surface boundary="vacuum" coeffs="15" id="18" name="maximum z" type="z-plane" />
+  <surface boundary="vacuum" coeffs="-15.0" id="13" name="minimum x" type="x-plane" />
+  <surface boundary="vacuum" coeffs="15.0" id="14" name="maximum x" type="x-plane" />
+  <surface boundary="vacuum" coeffs="-15.0" id="15" name="minimum y" type="y-plane" />
+  <surface boundary="vacuum" coeffs="15.0" id="16" name="maximum y" type="y-plane" />
+  <surface boundary="vacuum" coeffs="-15.0" id="17" name="minimum z" type="z-plane" />
+  <surface boundary="vacuum" coeffs="15.0" id="18" name="maximum z" type="z-plane" />
 </geometry>
 <?xml version='1.0' encoding='utf-8'?>
 <materials>
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true10.dat b/tests/regression_tests/unstructured_mesh/inputs_true10.dat
index 9ca47a356..e9272a333 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true10.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true10.dat
@@ -15,12 +15,12 @@
   <surface coeffs="6.0" id="10" name="maximum y" type="y-plane" />
   <surface coeffs="-6.0" id="11" name="minimum z" type="z-plane" />
   <surface coeffs="6.0" id="12" name="maximum z" type="z-plane" />
-  <surface boundary="vacuum" coeffs="-10" id="13" name="minimum x" type="x-plane" />
-  <surface boundary="vacuum" coeffs="10" id="14" name="maximum x" type="x-plane" />
-  <surface boundary="vacuum" coeffs="-10" id="15" name="minimum y" type="y-plane" />
-  <surface boundary="vacuum" coeffs="10" id="16" name="maximum y" type="y-plane" />
-  <surface boundary="vacuum" coeffs="-10" id="17" name="minimum z" type="z-plane" />
-  <surface boundary="vacuum" coeffs="10" id="18" name="maximum z" type="z-plane" />
+  <surface boundary="vacuum" coeffs="-10.0" id="13" name="minimum x" type="x-plane" />
+  <surface boundary="vacuum" coeffs="10.0" id="14" name="maximum x" type="x-plane" />
+  <surface boundary="vacuum" coeffs="-10.0" id="15" name="minimum y" type="y-plane" />
+  <surface boundary="vacuum" coeffs="10.0" id="16" name="maximum y" type="y-plane" />
+  <surface boundary="vacuum" coeffs="-10.0" id="17" name="minimum z" type="z-plane" />
+  <surface boundary="vacuum" coeffs="10.0" id="18" name="maximum z" type="z-plane" />
 </geometry>
 <?xml version='1.0' encoding='utf-8'?>
 <materials>
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true11.dat b/tests/regression_tests/unstructured_mesh/inputs_true11.dat
index 683e1fade..0b89d280c 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true11.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true11.dat
@@ -15,12 +15,12 @@
   <surface coeffs="6.0" id="10" name="maximum y" type="y-plane" />
   <surface coeffs="-6.0" id="11" name="minimum z" type="z-plane" />
   <surface coeffs="6.0" id="12" name="maximum z" type="z-plane" />
-  <surface boundary="vacuum" coeffs="-10" id="13" name="minimum x" type="x-plane" />
-  <surface boundary="vacuum" coeffs="10" id="14" name="maximum x" type="x-plane" />
-  <surface boundary="vacuum" coeffs="-10" id="15" name="minimum y" type="y-plane" />
-  <surface boundary="vacuum" coeffs="10" id="16" name="maximum y" type="y-plane" />
-  <surface boundary="vacuum" coeffs="-10" id="17" name="minimum z" type="z-plane" />
-  <surface boundary="vacuum" coeffs="10" id="18" name="maximum z" type="z-plane" />
+  <surface boundary="vacuum" coeffs="-10.0" id="13" name="minimum x" type="x-plane" />
+  <surface boundary="vacuum" coeffs="10.0" id="14" name="maximum x" type="x-plane" />
+  <surface boundary="vacuum" coeffs="-10.0" id="15" name="minimum y" type="y-plane" />
+  <surface boundary="vacuum" coeffs="10.0" id="16" name="maximum y" type="y-plane" />
+  <surface boundary="vacuum" coeffs="-10.0" id="17" name="minimum z" type="z-plane" />
+  <surface boundary="vacuum" coeffs="10.0" id="18" name="maximum z" type="z-plane" />
 </geometry>
 <?xml version='1.0' encoding='utf-8'?>
 <materials>
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true12.dat b/tests/regression_tests/unstructured_mesh/inputs_true12.dat
index 8ce9f3cf2..b3673a254 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true12.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true12.dat
@@ -15,12 +15,12 @@
   <surface coeffs="6.0" id="10" name="maximum y" type="y-plane" />
   <surface coeffs="-6.0" id="11" name="minimum z" type="z-plane" />
   <surface coeffs="6.0" id="12" name="maximum z" type="z-plane" />
-  <surface boundary="vacuum" coeffs="-15" id="13" name="minimum x" type="x-plane" />
-  <surface boundary="vacuum" coeffs="15" id="14" name="maximum x" type="x-plane" />
-  <surface boundary="vacuum" coeffs="-15" id="15" name="minimum y" type="y-plane" />
-  <surface boundary="vacuum" coeffs="15" id="16" name="maximum y" type="y-plane" />
-  <surface boundary="vacuum" coeffs="-15" id="17" name="minimum z" type="z-plane" />
-  <surface boundary="vacuum" coeffs="15" id="18" name="maximum z" type="z-plane" />
+  <surface boundary="vacuum" coeffs="-15.0" id="13" name="minimum x" type="x-plane" />
+  <surface boundary="vacuum" coeffs="15.0" id="14" name="maximum x" type="x-plane" />
+  <surface boundary="vacuum" coeffs="-15.0" id="15" name="minimum y" type="y-plane" />
+  <surface boundary="vacuum" coeffs="15.0" id="16" name="maximum y" type="y-plane" />
+  <surface boundary="vacuum" coeffs="-15.0" id="17" name="minimum z" type="z-plane" />
+  <surface boundary="vacuum" coeffs="15.0" id="18" name="maximum z" type="z-plane" />
 </geometry>
 <?xml version='1.0' encoding='utf-8'?>
 <materials>
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true13.dat b/tests/regression_tests/unstructured_mesh/inputs_true13.dat
index bca0bee4c..c466396b6 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true13.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true13.dat
@@ -15,12 +15,12 @@
   <surface coeffs="6.0" id="10" name="maximum y" type="y-plane" />
   <surface coeffs="-6.0" id="11" name="minimum z" type="z-plane" />
   <surface coeffs="6.0" id="12" name="maximum z" type="z-plane" />
-  <surface boundary="vacuum" coeffs="-15" id="13" name="minimum x" type="x-plane" />
-  <surface boundary="vacuum" coeffs="15" id="14" name="maximum x" type="x-plane" />
-  <surface boundary="vacuum" coeffs="-15" id="15" name="minimum y" type="y-plane" />
-  <surface boundary="vacuum" coeffs="15" id="16" name="maximum y" type="y-plane" />
-  <surface boundary="vacuum" coeffs="-15" id="17" name="minimum z" type="z-plane" />
-  <surface boundary="vacuum" coeffs="15" id="18" name="maximum z" type="z-plane" />
+  <surface boundary="vacuum" coeffs="-15.0" id="13" name="minimum x" type="x-plane" />
+  <surface boundary="vacuum" coeffs="15.0" id="14" name="maximum x" type="x-plane" />
+  <surface boundary="vacuum" coeffs="-15.0" id="15" name="minimum y" type="y-plane" />
+  <surface boundary="vacuum" coeffs="15.0" id="16" name="maximum y" type="y-plane" />
+  <surface boundary="vacuum" coeffs="-15.0" id="17" name="minimum z" type="z-plane" />
+  <surface boundary="vacuum" coeffs="15.0" id="18" name="maximum z" type="z-plane" />
 </geometry>
 <?xml version='1.0' encoding='utf-8'?>
 <materials>
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true14.dat b/tests/regression_tests/unstructured_mesh/inputs_true14.dat
index 226331ba8..8c6a5120a 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true14.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true14.dat
@@ -15,12 +15,12 @@
   <surface coeffs="6.0" id="10" name="maximum y" type="y-plane" />
   <surface coeffs="-6.0" id="11" name="minimum z" type="z-plane" />
   <surface coeffs="6.0" id="12" name="maximum z" type="z-plane" />
-  <surface boundary="vacuum" coeffs="-10" id="13" name="minimum x" type="x-plane" />
-  <surface boundary="vacuum" coeffs="10" id="14" name="maximum x" type="x-plane" />
-  <surface boundary="vacuum" coeffs="-10" id="15" name="minimum y" type="y-plane" />
-  <surface boundary="vacuum" coeffs="10" id="16" name="maximum y" type="y-plane" />
-  <surface boundary="vacuum" coeffs="-10" id="17" name="minimum z" type="z-plane" />
-  <surface boundary="vacuum" coeffs="10" id="18" name="maximum z" type="z-plane" />
+  <surface boundary="vacuum" coeffs="-10.0" id="13" name="minimum x" type="x-plane" />
+  <surface boundary="vacuum" coeffs="10.0" id="14" name="maximum x" type="x-plane" />
+  <surface boundary="vacuum" coeffs="-10.0" id="15" name="minimum y" type="y-plane" />
+  <surface boundary="vacuum" coeffs="10.0" id="16" name="maximum y" type="y-plane" />
+  <surface boundary="vacuum" coeffs="-10.0" id="17" name="minimum z" type="z-plane" />
+  <surface boundary="vacuum" coeffs="10.0" id="18" name="maximum z" type="z-plane" />
 </geometry>
 <?xml version='1.0' encoding='utf-8'?>
 <materials>
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true15.dat b/tests/regression_tests/unstructured_mesh/inputs_true15.dat
index a6a084165..1b9abbd83 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true15.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true15.dat
@@ -15,12 +15,12 @@
   <surface coeffs="6.0" id="10" name="maximum y" type="y-plane" />
   <surface coeffs="-6.0" id="11" name="minimum z" type="z-plane" />
   <surface coeffs="6.0" id="12" name="maximum z" type="z-plane" />
-  <surface boundary="vacuum" coeffs="-10" id="13" name="minimum x" type="x-plane" />
-  <surface boundary="vacuum" coeffs="10" id="14" name="maximum x" type="x-plane" />
-  <surface boundary="vacuum" coeffs="-10" id="15" name="minimum y" type="y-plane" />
-  <surface boundary="vacuum" coeffs="10" id="16" name="maximum y" type="y-plane" />
-  <surface boundary="vacuum" coeffs="-10" id="17" name="minimum z" type="z-plane" />
-  <surface boundary="vacuum" coeffs="10" id="18" name="maximum z" type="z-plane" />
+  <surface boundary="vacuum" coeffs="-10.0" id="13" name="minimum x" type="x-plane" />
+  <surface boundary="vacuum" coeffs="10.0" id="14" name="maximum x" type="x-plane" />
+  <surface boundary="vacuum" coeffs="-10.0" id="15" name="minimum y" type="y-plane" />
+  <surface boundary="vacuum" coeffs="10.0" id="16" name="maximum y" type="y-plane" />
+  <surface boundary="vacuum" coeffs="-10.0" id="17" name="minimum z" type="z-plane" />
+  <surface boundary="vacuum" coeffs="10.0" id="18" name="maximum z" type="z-plane" />
 </geometry>
 <?xml version='1.0' encoding='utf-8'?>
 <materials>
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true2.dat b/tests/regression_tests/unstructured_mesh/inputs_true2.dat
index 4b442c757..7136d485a 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true2.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true2.dat
@@ -15,12 +15,12 @@
   <surface coeffs="6.0" id="10" name="maximum y" type="y-plane" />
   <surface coeffs="-6.0" id="11" name="minimum z" type="z-plane" />
   <surface coeffs="6.0" id="12" name="maximum z" type="z-plane" />
-  <surface boundary="vacuum" coeffs="-10" id="13" name="minimum x" type="x-plane" />
-  <surface boundary="vacuum" coeffs="10" id="14" name="maximum x" type="x-plane" />
-  <surface boundary="vacuum" coeffs="-10" id="15" name="minimum y" type="y-plane" />
-  <surface boundary="vacuum" coeffs="10" id="16" name="maximum y" type="y-plane" />
-  <surface boundary="vacuum" coeffs="-10" id="17" name="minimum z" type="z-plane" />
-  <surface boundary="vacuum" coeffs="10" id="18" name="maximum z" type="z-plane" />
+  <surface boundary="vacuum" coeffs="-10.0" id="13" name="minimum x" type="x-plane" />
+  <surface boundary="vacuum" coeffs="10.0" id="14" name="maximum x" type="x-plane" />
+  <surface boundary="vacuum" coeffs="-10.0" id="15" name="minimum y" type="y-plane" />
+  <surface boundary="vacuum" coeffs="10.0" id="16" name="maximum y" type="y-plane" />
+  <surface boundary="vacuum" coeffs="-10.0" id="17" name="minimum z" type="z-plane" />
+  <surface boundary="vacuum" coeffs="10.0" id="18" name="maximum z" type="z-plane" />
 </geometry>
 <?xml version='1.0' encoding='utf-8'?>
 <materials>
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true3.dat b/tests/regression_tests/unstructured_mesh/inputs_true3.dat
index 52e53498e..23900a060 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true3.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true3.dat
@@ -15,12 +15,12 @@
   <surface coeffs="6.0" id="10" name="maximum y" type="y-plane" />
   <surface coeffs="-6.0" id="11" name="minimum z" type="z-plane" />
   <surface coeffs="6.0" id="12" name="maximum z" type="z-plane" />
-  <surface boundary="vacuum" coeffs="-10" id="13" name="minimum x" type="x-plane" />
-  <surface boundary="vacuum" coeffs="10" id="14" name="maximum x" type="x-plane" />
-  <surface boundary="vacuum" coeffs="-10" id="15" name="minimum y" type="y-plane" />
-  <surface boundary="vacuum" coeffs="10" id="16" name="maximum y" type="y-plane" />
-  <surface boundary="vacuum" coeffs="-10" id="17" name="minimum z" type="z-plane" />
-  <surface boundary="vacuum" coeffs="10" id="18" name="maximum z" type="z-plane" />
+  <surface boundary="vacuum" coeffs="-10.0" id="13" name="minimum x" type="x-plane" />
+  <surface boundary="vacuum" coeffs="10.0" id="14" name="maximum x" type="x-plane" />
+  <surface boundary="vacuum" coeffs="-10.0" id="15" name="minimum y" type="y-plane" />
+  <surface boundary="vacuum" coeffs="10.0" id="16" name="maximum y" type="y-plane" />
+  <surface boundary="vacuum" coeffs="-10.0" id="17" name="minimum z" type="z-plane" />
+  <surface boundary="vacuum" coeffs="10.0" id="18" name="maximum z" type="z-plane" />
 </geometry>
 <?xml version='1.0' encoding='utf-8'?>
 <materials>
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true8.dat b/tests/regression_tests/unstructured_mesh/inputs_true8.dat
index e484c95a2..a0cbbcae7 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true8.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true8.dat
@@ -15,12 +15,12 @@
   <surface coeffs="6.0" id="10" name="maximum y" type="y-plane" />
   <surface coeffs="-6.0" id="11" name="minimum z" type="z-plane" />
   <surface coeffs="6.0" id="12" name="maximum z" type="z-plane" />
-  <surface boundary="vacuum" coeffs="-15" id="13" name="minimum x" type="x-plane" />
-  <surface boundary="vacuum" coeffs="15" id="14" name="maximum x" type="x-plane" />
-  <surface boundary="vacuum" coeffs="-15" id="15" name="minimum y" type="y-plane" />
-  <surface boundary="vacuum" coeffs="15" id="16" name="maximum y" type="y-plane" />
-  <surface boundary="vacuum" coeffs="-15" id="17" name="minimum z" type="z-plane" />
-  <surface boundary="vacuum" coeffs="15" id="18" name="maximum z" type="z-plane" />
+  <surface boundary="vacuum" coeffs="-15.0" id="13" name="minimum x" type="x-plane" />
+  <surface boundary="vacuum" coeffs="15.0" id="14" name="maximum x" type="x-plane" />
+  <surface boundary="vacuum" coeffs="-15.0" id="15" name="minimum y" type="y-plane" />
+  <surface boundary="vacuum" coeffs="15.0" id="16" name="maximum y" type="y-plane" />
+  <surface boundary="vacuum" coeffs="-15.0" id="17" name="minimum z" type="z-plane" />
+  <surface boundary="vacuum" coeffs="15.0" id="18" name="maximum z" type="z-plane" />
 </geometry>
 <?xml version='1.0' encoding='utf-8'?>
 <materials>
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true9.dat b/tests/regression_tests/unstructured_mesh/inputs_true9.dat
index 5e83d71bd..930bd8579 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true9.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true9.dat
@@ -15,12 +15,12 @@
   <surface coeffs="6.0" id="10" name="maximum y" type="y-plane" />
   <surface coeffs="-6.0" id="11" name="minimum z" type="z-plane" />
   <surface coeffs="6.0" id="12" name="maximum z" type="z-plane" />
-  <surface boundary="vacuum" coeffs="-15" id="13" name="minimum x" type="x-plane" />
-  <surface boundary="vacuum" coeffs="15" id="14" name="maximum x" type="x-plane" />
-  <surface boundary="vacuum" coeffs="-15" id="15" name="minimum y" type="y-plane" />
-  <surface boundary="vacuum" coeffs="15" id="16" name="maximum y" type="y-plane" />
-  <surface boundary="vacuum" coeffs="-15" id="17" name="minimum z" type="z-plane" />
-  <surface boundary="vacuum" coeffs="15" id="18" name="maximum z" type="z-plane" />
+  <surface boundary="vacuum" coeffs="-15.0" id="13" name="minimum x" type="x-plane" />
+  <surface boundary="vacuum" coeffs="15.0" id="14" name="maximum x" type="x-plane" />
+  <surface boundary="vacuum" coeffs="-15.0" id="15" name="minimum y" type="y-plane" />
+  <surface boundary="vacuum" coeffs="15.0" id="16" name="maximum y" type="y-plane" />
+  <surface boundary="vacuum" coeffs="-15.0" id="17" name="minimum z" type="z-plane" />
+  <surface boundary="vacuum" coeffs="15.0" id="18" name="maximum z" type="z-plane" />
 </geometry>
 <?xml version='1.0' encoding='utf-8'?>
 <materials>
diff --git a/tests/regression_tests/unstructured_mesh/test.py b/tests/regression_tests/unstructured_mesh/test.py
index daebe7948..090a47599 100644
--- a/tests/regression_tests/unstructured_mesh/test.py
+++ b/tests/regression_tests/unstructured_mesh/test.py
@@ -1,6 +1,8 @@
+import filecmp
 import glob
 from itertools import product
 import os
+import warnings
 
 import openmc
 import openmc.lib
@@ -9,15 +11,29 @@ import numpy as np
 import pytest
 from tests.testing_harness import PyAPITestHarness
 
-TETS_PER_VOXEL = 12
-
 
 class UnstructuredMeshTest(PyAPITestHarness):
 
-    def __init__(self, statepoint_name, model, inputs_true, holes):
+    ELEM_PER_VOXEL = 12
+
+    def __init__(self,
+                 statepoint_name,
+                 model,
+                 inputs_true='inputs_true.dat',
+                 holes=False,
+                 scale_factor=10.0):
 
         super().__init__(statepoint_name, model, inputs_true)
         self.holes = holes # holes in the test mesh
+        self.scale_bounding_cell(scale_factor)
+
+    def scale_bounding_cell(self, scale_factor):
+        geometry = self._model.geometry
+        for surface in geometry.get_all_surfaces().values():
+            if surface.boundary_type != 'vacuum':
+                continue
+            for coeff in surface._coefficients:
+                surface._coefficients[coeff] *= scale_factor
 
     def _compare_results(self):
         with openmc.StatePoint(self._sp_name) as sp:
@@ -28,32 +44,27 @@ class UnstructuredMeshTest(PyAPITestHarness):
                     flt = tally.find_filter(openmc.MeshFilter)
 
                     if isinstance(flt.mesh, openmc.RegularMesh):
-                        reg_mesh_data, reg_mesh_std_dev = self.get_mesh_tally_data(tally)
+                        reg_mesh_data = self.get_mesh_tally_data(tally)
                         if self.holes:
                             reg_mesh_data = np.delete(reg_mesh_data, self.holes)
-                            reg_mesh_std_dev = np.delete(reg_mesh_std_dev, self.holes)
                     else:
                         umesh_tally = tally
-                        unstructured_data, unstructured_std_dev = self.get_mesh_tally_data(tally, True)
+                        unstructured_data = self.get_mesh_tally_data(tally, True)
 
-            # we expect these results to be the same to within at least ten
-            # decimal places
-            decimals = 10 if umesh_tally.estimator == 'collision' else 8
-            np.testing.assert_array_almost_equal(unstructured_data,
-                                                 reg_mesh_data,
-                                                 decimals)
+        # we expect these results to be the same to within at least ten
+        # decimal places
+        decimals = 10 if umesh_tally.estimator == 'collision' else 8
+        np.testing.assert_array_almost_equal(np.sort(unstructured_data),
+                                            np.sort(reg_mesh_data),
+                                            decimals)
 
-    @staticmethod
-    def get_mesh_tally_data(tally, structured=False):
+    def get_mesh_tally_data(self, tally, structured=False):
         data = tally.get_reshaped_data(value='mean')
-        std_dev = tally.get_reshaped_data(value='std_dev')
         if structured:
-           data.shape = (data.size // TETS_PER_VOXEL, TETS_PER_VOXEL)
-           std_dev.shape = (std_dev.size // TETS_PER_VOXEL, TETS_PER_VOXEL)
+           data = data.reshape((-1, self.ELEM_PER_VOXEL))
         else:
             data.shape = (data.size, 1)
-            std_dev.shape = (std_dev.size, 1)
-        return np.sum(data, axis=1), np.sum(std_dev, axis=1)
+        return np.sum(data, axis=1)
 
     def _cleanup(self):
         super()._cleanup()
@@ -64,35 +75,11 @@ class UnstructuredMeshTest(PyAPITestHarness):
                 os.remove(f)
 
 
-param_values = (['libmesh', 'moab'], # mesh libraries
-                ['collision', 'tracklength'], # estimators
-                [True, False], # geometry outside of the mesh
-                [(333, 90, 77), None]) # location of holes in the mesh
-test_cases = []
-for i, (lib, estimator, ext_geom, holes) in enumerate(product(*param_values)):
-    test_cases.append({'library' : lib,
-                       'estimator' : estimator,
-                       'external_geom' : ext_geom,
-                       'holes' : holes,
-                       'inputs_true' : 'inputs_true{}.dat'.format(i)})
-
-
-@pytest.mark.parametrize("test_opts", test_cases)
-def test_unstructured_mesh(test_opts):
-
+@pytest.fixture
+def model():
     openmc.reset_auto_ids()
 
-    # skip the test if the library is not enabled
-    if test_opts['library'] == 'moab' and not openmc.lib._dagmc_enabled():
-        pytest.skip("DAGMC (and MOAB) mesh not enbaled in this build.")
-
-    if test_opts['library'] == 'libmesh' and not openmc.lib._libmesh_enabled():
-        pytest.skip("LibMesh is not enabled in this build.")
-
-    # skip the tracklength test for libmesh
-    if test_opts['library'] == 'libmesh' and \
-       test_opts['estimator'] == 'tracklength':
-       pytest.skip("Tracklength tallies are not supported using libmesh.")
+    model = openmc.Model()
 
     ### Materials ###
     materials = openmc.Materials()
@@ -113,7 +100,7 @@ def test_unstructured_mesh(test_opts):
     water_mat.set_density("atom/b-cm", 0.07416)
     materials.append(water_mat)
 
-    materials.export_to_xml()
+    model.materials = materials
 
     ### Geometry ###
     fuel_min_x = openmc.XPlane(-5.0, name="minimum x")
@@ -149,29 +136,26 @@ def test_unstructured_mesh(test_opts):
                          +clad_min_z & -clad_max_z)
     clad_cell.fill = zirc_mat
 
-    if test_opts['external_geom']:
-        bounds = (15, 15, 15)
-    else:
-        bounds = (10, 10, 10)
-
-    water_min_x = openmc.XPlane(x0=-bounds[0],
+    # set bounding cell dimension to one
+    # this will be updated later according to the test case parameters
+    water_min_x = openmc.XPlane(x0=-1.0,
                                 name="minimum x",
                                 boundary_type='vacuum')
-    water_max_x = openmc.XPlane(x0=bounds[0],
+    water_max_x = openmc.XPlane(x0=1.0,
                                 name="maximum x",
                                 boundary_type='vacuum')
 
-    water_min_y = openmc.YPlane(y0=-bounds[1],
+    water_min_y = openmc.YPlane(y0=-1.0,
                                 name="minimum y",
                                 boundary_type='vacuum')
-    water_max_y = openmc.YPlane(y0=bounds[1],
+    water_max_y = openmc.YPlane(y0=1.0,
                                 name="maximum y",
                                 boundary_type='vacuum')
 
-    water_min_z = openmc.ZPlane(z0=-bounds[2],
+    water_min_z = openmc.ZPlane(z0=-1.0,
                                 name="minimum z",
                                 boundary_type='vacuum')
-    water_max_z = openmc.ZPlane(z0=bounds[2],
+    water_max_z = openmc.ZPlane(z0=1.0,
                                 name="maximum z",
                                 boundary_type='vacuum')
 
@@ -185,9 +169,9 @@ def test_unstructured_mesh(test_opts):
     water_cell.fill = water_mat
 
     # create a containing universe
-    geometry = openmc.Geometry([fuel_cell, clad_cell, water_cell])
+    model.geometry = openmc.Geometry([fuel_cell, clad_cell, water_cell])
 
-    ### Tallies ###
+    ### Reference Tally ###
 
     # create meshes and mesh filters
     regular_mesh = openmc.RegularMesh()
@@ -196,29 +180,11 @@ def test_unstructured_mesh(test_opts):
     regular_mesh.upper_right = (10.0, 10.0, 10.0)
 
     regular_mesh_filter = openmc.MeshFilter(mesh=regular_mesh)
-
-    if test_opts['holes']:
-        mesh_filename = "test_mesh_tets_w_holes.e"
-    else:
-        mesh_filename = "test_mesh_tets.e"
-
-    uscd_mesh = openmc.UnstructuredMesh(mesh_filename, test_opts['library'])
-    uscd_filter = openmc.MeshFilter(mesh=uscd_mesh)
-
-    # create tallies
-    tallies = openmc.Tallies()
-
     regular_mesh_tally = openmc.Tally(name="regular mesh tally")
     regular_mesh_tally.filters = [regular_mesh_filter]
     regular_mesh_tally.scores = ['flux']
-    regular_mesh_tally.estimator = test_opts['estimator']
-    tallies.append(regular_mesh_tally)
 
-    uscd_tally = openmc.Tally(name="unstructured mesh tally")
-    uscd_tally.filters = [uscd_filter]
-    uscd_tally.scores = ['flux']
-    uscd_tally.estimator = test_opts['estimator']
-    tallies.append(uscd_tally)
+    model.tallies = openmc.Tallies([regular_mesh_tally])
 
     ### Settings ###
     settings = openmc.Settings()
@@ -236,13 +202,92 @@ def test_unstructured_mesh(test_opts):
     source = openmc.Source(space=space, energy=energy)
     settings.source = source
 
-    model = openmc.model.Model(geometry=geometry,
-                               materials=materials,
-                               tallies=tallies,
-                               settings=settings)
+    model.settings = settings
+
+    return model
+
+
+param_values = (['libmesh', 'moab'], # mesh libraries
+                ['collision', 'tracklength'], # estimators
+                [True, False], # geometry outside of the mesh
+                [(333, 90, 77), None]) # location of holes in the mesh
+test_cases = []
+for i, (lib, estimator, ext_geom, holes) in enumerate(product(*param_values)):
+    test_cases.append({'library' : lib,
+                       'estimator' : estimator,
+                       'external_geom' : ext_geom,
+                       'holes' : holes,
+                       'inputs_true' : 'inputs_true{}.dat'.format(i)})
+
+
+@pytest.mark.parametrize("test_opts", test_cases)
+def test_unstructured_mesh_tets(model, test_opts):
+    # skip the test if the library is not enabled
+    if test_opts['library'] == 'moab' and not openmc.lib._dagmc_enabled():
+        pytest.skip("DAGMC (and MOAB) mesh not enbaled in this build.")
+
+    if test_opts['library'] == 'libmesh' and not openmc.lib._libmesh_enabled():
+        pytest.skip("LibMesh is not enabled in this build.")
+
+    # skip the tracklength test for libmesh
+    if test_opts['library'] == 'libmesh' and \
+       test_opts['estimator'] == 'tracklength':
+       pytest.skip("Tracklength tallies are not supported using libmesh.")
+
+    if test_opts['holes']:
+        mesh_filename = "test_mesh_tets_w_holes.e"
+    else:
+        mesh_filename = "test_mesh_tets.e"
+
+    # add reference mesh tally
+    regular_mesh_tally = model.tallies[0]
+    regular_mesh_tally.estimator = test_opts['estimator']
+
+    # add analagous unstructured mesh tally
+    uscd_mesh = openmc.UnstructuredMesh(mesh_filename, test_opts['library'])
+    uscd_filter = openmc.MeshFilter(mesh=uscd_mesh)
+
+    # create tallies
+    uscd_tally = openmc.Tally(name="unstructured mesh tally")
+    uscd_tally.filters = [uscd_filter]
+    uscd_tally.scores = ['flux']
+    uscd_tally.estimator = test_opts['estimator']
+    model.tallies.append(uscd_tally)
+
+    # modify model geometry according to test opts
+    if test_opts['external_geom']:
+        scale_factor = 15.0
+    else:
+        scale_factor = 10.0
 
     harness = UnstructuredMeshTest('statepoint.10.h5',
                                    model,
                                    test_opts['inputs_true'],
-                                   test_opts['holes'])
+                                   test_opts['holes'],
+                                   scale_factor)
     harness.main()
+
+
+@pytest.mark.skipif(not openmc.lib._libmesh_enabled(),
+                    reason='LibMesh is not enabled in this build.')
+def test_unstructured_mesh_hexes(model):
+    regular_mesh_tally = model.tallies[0]
+    regular_mesh_tally.estimator = 'collision'
+
+    # add analagous unstructured mesh tally
+    uscd_mesh = openmc.UnstructuredMesh('test_mesh_hexes.e', 'libmesh')
+    uscd_filter = openmc.MeshFilter(mesh=uscd_mesh)
+
+    # create tallies
+    uscd_tally = openmc.Tally(name="unstructured mesh tally")
+    uscd_tally.filters = [uscd_filter]
+    uscd_tally.scores = ['flux']
+    uscd_tally.estimator = 'collision'
+    model.tallies.append(uscd_tally)
+
+    harness = UnstructuredMeshTest('statepoint.10.h5',
+                                   model)
+    harness.ELEM_PER_VOXEL = 1
+
+    harness.main()
+
diff --git a/tests/regression_tests/unstructured_mesh/test_mesh_hexes.e b/tests/regression_tests/unstructured_mesh/test_mesh_hexes.e
new file mode 120000
index 000000000..421bf6a89
--- /dev/null
+++ b/tests/regression_tests/unstructured_mesh/test_mesh_hexes.e
@@ -0,0 +1 @@
+test_mesh_hexes.exo
\ No newline at end of file
diff --git a/tests/regression_tests/unstructured_mesh/test_mesh_hexes.exo b/tests/regression_tests/unstructured_mesh/test_mesh_hexes.exo
new file mode 100644
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diff --git a/tests/unit_tests/mesh_to_vtk/__init__.py b/tests/unit_tests/mesh_to_vtk/__init__.py
new file mode 100644
index 000000000..e69de29bb
diff --git a/tests/unit_tests/mesh_to_vtk/hexes.exo b/tests/unit_tests/mesh_to_vtk/hexes.exo
new file mode 100644
index 0000000000000000000000000000000000000000..c16138e900e6af27c219b4942a79167172f24629
GIT binary patch
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diff --git a/tests/unit_tests/mesh_to_vtk/libmesh_hexes_ref.vtk b/tests/unit_tests/mesh_to_vtk/libmesh_hexes_ref.vtk
new file mode 100644
index 000000000..041d7065d
--- /dev/null
+++ b/tests/unit_tests/mesh_to_vtk/libmesh_hexes_ref.vtk
@@ -0,0 +1,76 @@
+# vtk DataFile Version 5.1
+vtk output
+ASCII
+DATASET UNSTRUCTURED_GRID
+POINTS 54 double
+-1 -1 2.5 -1 -1 1.5 -1 0 1.5 
+-1 0 2.5 0 -1 2.5 0 -1 1.5 
+0 0 1.5 0 0 2.5 -1 -1 0.5 
+-1 0 0.5 0 -1 0.5 0 0 0.5 
+-1 -1 -0.5 -1 0 -0.5 0 -1 -0.5 
+0 0 -0.5 -1 -1 -1.5 -1 0 -1.5 
+0 -1 -1.5 0 0 -1.5 -1 -1 -2.5 
+-1 0 -2.5 0 -1 -2.5 0 0 -2.5 
+-1 1 1.5 -1 1 2.5 0 1 1.5 
+0 1 2.5 -1 1 0.5 0 1 0.5 
+-1 1 -0.5 0 1 -0.5 -1 1 -1.5 
+0 1 -1.5 -1 1 -2.5 0 1 -2.5 
+1 -1 2.5 1 -1 1.5 1 0 1.5 
+1 0 2.5 1 -1 0.5 1 0 0.5 
+1 -1 -0.5 1 0 -0.5 1 -1 -1.5 
+1 0 -1.5 1 -1 -2.5 1 0 -2.5 
+1 1 1.5 1 1 2.5 1 1 0.5 
+1 1 -0.5 1 1 -1.5 1 1 -2.5 
+
+CELLS 21 160
+OFFSETS vtktypeint64
+0 8 16 24 32 40 48 56 64 
+72 80 88 96 104 112 120 128 136 
+144 152 160 
+CONNECTIVITY vtktypeint64
+0 1 2 3 4 5 6 7 1 
+8 9 2 5 10 11 6 8 12 
+13 9 10 14 15 11 12 16 17 
+13 14 18 19 15 16 20 21 17 
+18 22 23 19 3 2 24 25 7 
+6 26 27 2 9 28 24 6 11 
+29 26 9 13 30 28 11 15 31 
+29 13 17 32 30 15 19 33 31 
+17 21 34 32 19 23 35 33 4 
+5 6 7 36 37 38 39 5 10 
+11 6 37 40 41 38 10 14 15 
+11 40 42 43 41 14 18 19 15 
+42 44 45 43 18 22 23 19 44 
+46 47 45 7 6 26 27 39 38 
+48 49 6 11 29 26 38 41 50 
+48 11 15 31 29 41 43 51 50 
+15 19 33 31 43 45 52 51 19 
+23 35 33 45 47 53 52 
+CELL_TYPES 20
+12
+12
+12
+12
+12
+12
+12
+12
+12
+12
+12
+12
+12
+12
+12
+12
+12
+12
+12
+12
+
+CELL_DATA 20
+FIELD FieldData 1
+ids 1 20 double
+0 1 2 3 4 5 6 7 8 
+9 10 11 12 13 14 15 16 17 
+18 19 
diff --git a/tests/unit_tests/mesh_to_vtk/libmesh_tets_ref.vtk b/tests/unit_tests/mesh_to_vtk/libmesh_tets_ref.vtk
new file mode 100644
index 000000000..90f226121
--- /dev/null
+++ b/tests/unit_tests/mesh_to_vtk/libmesh_tets_ref.vtk
@@ -0,0 +1,292 @@
+# vtk DataFile Version 5.1
+vtk output
+ASCII
+DATASET UNSTRUCTURED_GRID
+POINTS 58 double
+-0.02593964576 -1 -1.1195739536 -0.40239958217 -0.40962166746 -1.9256035383 -1 0.02593964576 -1.1195739536 
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+-0.40005770996 -0.36909660956 1.8768871762 -0.4896743493 0.49451064621 1.952829049 -1 1 1.5 
+0.02608137991 1 1.121521147 -1 1 0.5 -0.038567136385 0.14628887118 0.55111724874 
+-1 0.02608137991 1.121521147 0 -1 -2.5 0.37543954218 -0.36967061971 -1.8691105401 
+1 -1 -2.5 0.074337770194 -0.074337770194 -2.5 1 0 -2.5 
+0.4135797166 0.38351746262 -1.9274856063 1 -1 -1.5 -1 0 -2.5 
+-1 -1 -1.5 -1 -1 -2.5 -1 0 2.5 
+-1 1 2.5 0 1 2.5 0.46519182209 0.49356920409 1.95286052 
+0 -1 2.5 -1 -1 1.5 -1 -1 2.5 
+1 -1 2.5 1 -1 1.5 1 0 2.5 
+1 1 2.5 1 1 1.5 0 1 -2.5 
+-1 1 -2.5 1 -1 -0.5 1 1 -0.5 
+0.038669824604 1 0.0046021677516 -1 -1 0.5 -0.038669824604 -1 0.0046021677516 
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diff --git a/tests/unit_tests/mesh_to_vtk/moab_tets_ref.vtk b/tests/unit_tests/mesh_to_vtk/moab_tets_ref.vtk
new file mode 120000
index 000000000..91e356480
--- /dev/null
+++ b/tests/unit_tests/mesh_to_vtk/moab_tets_ref.vtk
@@ -0,0 +1 @@
+libmesh_tets_ref.vtk
\ No newline at end of file
diff --git a/tests/unit_tests/mesh_to_vtk/test.py b/tests/unit_tests/mesh_to_vtk/test.py
new file mode 100644
index 000000000..4ac875002
--- /dev/null
+++ b/tests/unit_tests/mesh_to_vtk/test.py
@@ -0,0 +1,70 @@
+import filecmp
+from itertools import product
+from pathlib import Path
+
+import numpy as np
+
+import openmc
+import openmc.lib
+import pytest
+
+pytest.importorskip('vtk')
+
+
+def ids_func(param):
+    return f"{param['library']}_{param['elem_type']}"
+
+test_params = (['libmesh', 'moab'],
+               ['tets', 'hexes'])
+
+test_cases = []
+for library, elem_type in product(*test_params):
+    test_case = {'library' : library,
+                 'elem_type' : elem_type}
+    test_cases.append(test_case)
+
+@pytest.mark.parametrize("test_opts", test_cases, ids=ids_func)
+def test_unstructured_mesh_to_vtk(run_in_tmpdir, request, test_opts):
+
+    if test_opts['library'] == 'moab' and test_opts['elem_type'] == 'hexes':
+        pytest.skip('Hexes are not supported with MOAB')
+
+    if test_opts['library'] == 'libmesh' and not openmc.lib._libmesh_enabled():
+        pytest.skip('LibMesh is not enabled in this build.')
+
+    if test_opts['library'] == 'moab' and not openmc.lib._dagmc_enabled():
+        pytest.skip('DAGMC (and MOAB) mesh not enabled in this build.')
+
+    # pull in a simple model -- just need to create the statepoint file
+    openmc.reset_auto_ids()
+    model = openmc.examples.pwr_pin_cell()
+
+    if test_opts['elem_type'] == 'tets':
+        filename = Path('tets.exo')
+    else:
+        filename = Path('hexes.exo')
+
+    # create a basic tally using the unstructured mesh
+    umesh = openmc.UnstructuredMesh(request.node.path.parent / filename,
+                                    test_opts['library'])
+    umesh.output = False
+    mesh_filter = openmc.MeshFilter(umesh)
+    tally = openmc.Tally()
+    tally.filters = [mesh_filter]
+    tally.scores = ['flux']
+    tally.estimator = 'collision'
+    model.tallies = openmc.Tallies([tally])
+    sp_file = model.run()
+
+    # check VTK output after reading mesh from statepoint file
+    with openmc.StatePoint(sp_file) as sp:
+        umesh = sp.meshes[umesh.id]
+
+    test_data = {'ids' : np.arange(umesh.n_elements)}
+    umesh.write_data_to_vtk('umesh.vtk',
+                            datasets=test_data,
+                            volume_normalization=False)
+
+    # compare file content with reference file
+    ref_file = Path(f"{test_opts['library']}_{test_opts['elem_type']}_ref.vtk")
+    assert filecmp.cmp('umesh.vtk', request.node.path.parent / ref_file)
\ No newline at end of file
diff --git a/tests/unit_tests/mesh_to_vtk/tets.exo b/tests/unit_tests/mesh_to_vtk/tets.exo
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diff --git a/tests/unit_tests/mesh_to_vtk/umesh.vtk b/tests/unit_tests/mesh_to_vtk/umesh.vtk
new file mode 100644
index 000000000..90f226121
--- /dev/null
+++ b/tests/unit_tests/mesh_to_vtk/umesh.vtk
@@ -0,0 +1,292 @@
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+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+
+CELL_DATA 154
+FIELD FieldData 1
+ids 1 154 double
+0 1 2 3 4 5 6 7 8 
+9 10 11 12 13 14 15 16 17 
+18 19 20 21 22 23 24 25 26 
+27 28 29 30 31 32 33 34 35 
+36 37 38 39 40 41 42 43 44 
+45 46 47 48 49 50 51 52 53 
+54 55 56 57 58 59 60 61 62 
+63 64 65 66 67 68 69 70 71 
+72 73 74 75 76 77 78 79 80 
+81 82 83 84 85 86 87 88 89 
+90 91 92 93 94 95 96 97 98 
+99 100 101 102 103 104 105 106 107 
+108 109 110 111 112 113 114 115 116 
+117 118 119 120 121 122 123 124 125 
+126 127 128 129 130 131 132 133 134 
+135 136 137 138 139 140 141 142 143 
+144 145 146 147 148 149 150 151 152 
+153 

From 46e98156ac105926d3c2f0b158fc12da51f3e807 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Mon, 18 Jul 2022 16:49:44 -0500
Subject: [PATCH 0665/2654] Adding notice about MOAB meshes

---
 src/state_point.cpp | 10 +++++++---
 1 file changed, 7 insertions(+), 3 deletions(-)

diff --git a/src/state_point.cpp b/src/state_point.cpp
index 9ea045915..a2d8b8881 100644
--- a/src/state_point.cpp
+++ b/src/state_point.cpp
@@ -812,12 +812,18 @@ void write_unstructured_mesh_results()
       auto umesh =
         dynamic_cast<UnstructuredMesh*>(model::meshes[mesh_idx].get());
 
+
       if (!umesh)
         continue;
 
       if (!umesh->output_)
         continue;
 
+      if (umesh->library() == "moab" && !mpi::master) {
+        warning(fmt::format("Output for a MOAB mesh (mesh {}) was requested but will not be written. Please use the Python API to generated the desired VTK tetrahedral mesh.", umesh->id_));
+        continue;
+      }
+
       // if this tally has more than one filter, print
       // warning and skip writing the mesh
       if (tally->filters().size() > 1) {
@@ -889,12 +895,10 @@ void write_unstructured_mesh_results()
       std::string filename = fmt::format("tally_{0}.{1:0{2}}", tally->id_,
         simulation::current_batch, batch_width);
 
-      if (umesh->library() == "moab" && !mpi::master)
-        continue;
-
       // Write the unstructured mesh and data to file
       umesh->write(filename);
 
+      // remove score data added for this mesh write
       umesh->remove_scores();
     }
   }

From 2f8d2fe003a7713672e8b61be16da453ddab882a Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Wed, 20 Jul 2022 09:33:14 -0500
Subject: [PATCH 0666/2654] Empty commit attempting to fix CI.


From 782c2411906041c8db1c01bb65b3ad1c6692d1af Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 21 Jul 2022 05:38:58 -0500
Subject: [PATCH 0667/2654] Always continue, but only write warning on mpi
 master rank

---
 src/state_point.cpp | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/src/state_point.cpp b/src/state_point.cpp
index a2d8b8881..b4200ffe2 100644
--- a/src/state_point.cpp
+++ b/src/state_point.cpp
@@ -819,7 +819,8 @@ void write_unstructured_mesh_results()
       if (!umesh->output_)
         continue;
 
-      if (umesh->library() == "moab" && !mpi::master) {
+      if (umesh->library() == "moab") {
+        if (mpi::master)
         warning(fmt::format("Output for a MOAB mesh (mesh {}) was requested but will not be written. Please use the Python API to generated the desired VTK tetrahedral mesh.", umesh->id_));
         continue;
       }

From f4bb731687acfe003080e9614c117795d69c71aa Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 21 Jul 2022 22:29:51 -0500
Subject: [PATCH 0668/2654] Keep outgoing datasets in a list until VTK file is
 written

---
 openmc/mesh.py | 2 ++
 1 file changed, 2 insertions(+)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 601d0ac94..d88f6e363 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -1722,6 +1722,7 @@ class UnstructuredMesh(MeshBase):
             grid.InsertNextCell(elem.GetCellType(), elem.GetPointIds())
 
         # check that datasets are the correct size
+        datasets_out = []
         if datasets is not None:
             for name, data in datasets.items():
                 if data.shape != (self.dimension,):
@@ -1739,6 +1740,7 @@ class UnstructuredMesh(MeshBase):
 
             # add data to the mesh
             for name, data in datasets.items():
+                datasets_out.append(data)
                 arr = vtk.vtkDoubleArray()
                 arr.SetName(name)
                 arr.SetNumberOfTuples(data.size)

From 0118067e2f7cc1fd37f50591f998b2f97ce897ae Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Mon, 25 Jul 2022 16:00:50 -0500
Subject: [PATCH 0669/2654] Fix for IncoherentElasticAE.from_hdf5

---
 openmc/data/thermal_angle_energy.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/data/thermal_angle_energy.py b/openmc/data/thermal_angle_energy.py
index 1f37863ea..17a560092 100644
--- a/openmc/data/thermal_angle_energy.py
+++ b/openmc/data/thermal_angle_energy.py
@@ -122,7 +122,7 @@ class IncoherentElasticAE(AngleEnergy):
             Incoherent elastic distribution
 
         """
-        return cls(group['debye_waller'])
+        return cls(group['debye_waller'][()])
 
 
 class IncoherentElasticAEDiscrete(AngleEnergy):

From 91000f3ea0dac86e4129c22b75937bec85f64e75 Mon Sep 17 00:00:00 2001
From: lewisgross1296 <ligross@wisc.edu>
Date: Fri, 1 Jul 2022 16:51:39 -0500
Subject: [PATCH 0670/2654] refactored mesh.cpp to allow mesh pointer or
 filename and reduced copied code

---
 include/openmc/mesh.h |  9 ++++++---
 src/mesh.cpp          | 27 ++++++++++++++++++++-------
 2 files changed, 26 insertions(+), 10 deletions(-)

diff --git a/include/openmc/mesh.h b/include/openmc/mesh.h
index 21c58862d..4d5ebc46e 100644
--- a/include/openmc/mesh.h
+++ b/include/openmc/mesh.h
@@ -53,7 +53,7 @@ extern vector<unique_ptr<Mesh>> meshes;
 
 #ifdef LIBMESH
 namespace settings {
-// used when creating new libMesh::Mesh instances
+// used when creating new libMesh::MeshBase instances
 extern unique_ptr<libMesh::LibMeshInit> libmesh_init;
 extern const libMesh::Parallel::Communicator* libmesh_comm;
 } // namespace settings
@@ -671,7 +671,8 @@ class LibMesh : public UnstructuredMesh {
 public:
   // Constructors
   LibMesh(pugi::xml_node node);
-  LibMesh(const std::string& filename, double length_multiplier = 1.0);
+  LibMesh(const std::string & filename, double length_multiplier = 1.0);
+  LibMesh(libMesh::MeshBase & input_mesh, double length_multiplier = 1.0);
 
   static const std::string mesh_lib_type;
 
@@ -705,6 +706,7 @@ public:
 
 private:
   void initialize() override;
+  void set_mesh_pointer_from_filename(const std::string& filename);
 
   // Methods
 
@@ -715,7 +717,8 @@ private:
   int get_bin_from_element(const libMesh::Elem* elem) const;
 
   // Data members
-  unique_ptr<libMesh::Mesh> m_; //!< pointer to the libMesh mesh instance
+  unique_ptr<libMesh::MeshBase> unique_m_; //!< pointer to the libMesh MeshBase instance, only used if mesh is created inside OpenMC
+  libMesh::MeshBase * m_; //!< pointer to libMesh MeshBase instance
   vector<unique_ptr<libMesh::PointLocatorBase>>
     pl_; //!< per-thread point locators
   unique_ptr<libMesh::EquationSystems>
diff --git a/src/mesh.cpp b/src/mesh.cpp
index e8f79aa37..68675b969 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -2327,13 +2327,31 @@ LibMesh::LibMesh(pugi::xml_node node) : UnstructuredMesh(node)
   initialize();
 }
 
-LibMesh::LibMesh(const std::string& filename, double length_multiplier)
+// create the mesh from a pointer to a libMesh Mesh
+LibMesh::LibMesh(libMesh::MeshBase & input_mesh, double length_multiplier)
 {
-  filename_ = filename;
+  m_ = &input_mesh;
   set_length_multiplier(length_multiplier);
   initialize();
 }
 
+// create the mesh from an input file
+LibMesh::LibMesh(const std::string& filename, double length_multiplier)
+{
+  set_mesh_pointer_from_filename(filename);
+  set_length_multiplier(length_multiplier);
+  initialize();
+}
+
+void LibMesh::set_mesh_pointer_from_filename(const std::string& filename)
+{
+  filename_ = filename;
+  unique_m_ = make_unique<libMesh::Mesh>(*settings::libmesh_comm, n_dimension_);
+  m_ = unique_m_.get();
+  m_->read(filename_);
+}
+
+// intialize from mesh file
 void LibMesh::initialize()
 {
   if (!settings::libmesh_comm) {
@@ -2344,15 +2362,10 @@ void LibMesh::initialize()
   // assuming that unstructured meshes used in OpenMC are 3D
   n_dimension_ = 3;
 
-  m_ = make_unique<libMesh::Mesh>(*settings::libmesh_comm, n_dimension_);
-  m_->read(filename_);
-
   if (specified_length_multiplier_) {
     libMesh::MeshTools::Modification::scale(*m_, length_multiplier_);
   }
 
-  m_->prepare_for_use();
-
   // ensure that the loaded mesh is 3 dimensional
   if (m_->mesh_dimension() != n_dimension_) {
     fatal_error(fmt::format("Mesh file {} specified for use in an unstructured "

From 23646c3c7cf8beec9de07a02ea8a9caa38bf7086 Mon Sep 17 00:00:00 2001
From: David Andrs <andrsd@gmail.com>
Date: Sat, 23 Jul 2022 08:56:12 -0600
Subject: [PATCH 0671/2654] Allow OpenMC to compile against fmt v9

---
 include/openmc/position.h | 11 +++++++++++
 1 file changed, 11 insertions(+)

diff --git a/include/openmc/position.h b/include/openmc/position.h
index 5ab0774f4..4fde420cc 100644
--- a/include/openmc/position.h
+++ b/include/openmc/position.h
@@ -5,6 +5,7 @@
 #include <iostream>
 #include <stdexcept> // for out_of_range
 
+#include "fmt/format.h"
 #include "openmc/array.h"
 #include "openmc/vector.h"
 
@@ -210,4 +211,14 @@ using Direction = Position;
 
 } // namespace openmc
 
+template<>
+struct fmt::formatter<openmc::Position> : formatter<std::string> {
+  template<typename FormatContext>
+  auto format(const openmc::Position& pos, FormatContext& ctx)
+  {
+    return fmt::formatter<std::string>::format(
+      fmt::format("({}, {}, {})", pos.x, pos.y, pos.z), ctx);
+  }
+};
+
 #endif // OPENMC_POSITION_H

From 7fc9d20a3011d6aec405f6c22669da365502de1e Mon Sep 17 00:00:00 2001
From: lewisgross1296 <ligross@wisc.edu>
Date: Tue, 26 Jul 2022 12:20:19 -0500
Subject: [PATCH 0672/2654] added back accidentally deleted line

---
 src/mesh.cpp | 2 ++
 1 file changed, 2 insertions(+)

diff --git a/src/mesh.cpp b/src/mesh.cpp
index 68675b969..e4ede6a04 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -2366,6 +2366,8 @@ void LibMesh::initialize()
     libMesh::MeshTools::Modification::scale(*m_, length_multiplier_);
   }
 
+  m_->prepare_for_use()
+
   // ensure that the loaded mesh is 3 dimensional
   if (m_->mesh_dimension() != n_dimension_) {
     fatal_error(fmt::format("Mesh file {} specified for use in an unstructured "

From deda82d6319e628d4ca549e741730a6c1821386e Mon Sep 17 00:00:00 2001
From: lewisgross1296 <ligross@wisc.edu>
Date: Tue, 26 Jul 2022 12:20:47 -0500
Subject: [PATCH 0673/2654]  added clarification to comment

---
 include/openmc/mesh.h | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/include/openmc/mesh.h b/include/openmc/mesh.h
index 4d5ebc46e..ce512c767 100644
--- a/include/openmc/mesh.h
+++ b/include/openmc/mesh.h
@@ -718,7 +718,7 @@ private:
 
   // Data members
   unique_ptr<libMesh::MeshBase> unique_m_; //!< pointer to the libMesh MeshBase instance, only used if mesh is created inside OpenMC
-  libMesh::MeshBase * m_; //!< pointer to libMesh MeshBase instance
+  libMesh::MeshBase * m_; //!< pointer to libMesh MeshBase instance, always set during intialization
   vector<unique_ptr<libMesh::PointLocatorBase>>
     pl_; //!< per-thread point locators
   unique_ptr<libMesh::EquationSystems>

From 6a9be64d7112ebb65cb671076385c564c9462747 Mon Sep 17 00:00:00 2001
From: lewisgross1296 <ligross@wisc.edu>
Date: Tue, 26 Jul 2022 12:22:59 -0500
Subject: [PATCH 0674/2654] left off semicolon

---
 src/mesh.cpp | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/src/mesh.cpp b/src/mesh.cpp
index e4ede6a04..44580d81b 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -2366,7 +2366,7 @@ void LibMesh::initialize()
     libMesh::MeshTools::Modification::scale(*m_, length_multiplier_);
   }
 
-  m_->prepare_for_use()
+  m_->prepare_for_use();
 
   // ensure that the loaded mesh is 3 dimensional
   if (m_->mesh_dimension() != n_dimension_) {

From fd8a8207082522a7a454931c49453ee5f0c833e9 Mon Sep 17 00:00:00 2001
From: lewisgross1296 <ligross@wisc.edu>
Date: Tue, 26 Jul 2022 12:40:13 -0500
Subject: [PATCH 0675/2654] added public mesh_ptr() accessor. moved
 m->prepare_for_use() to filename constructor since it only happens there. for
 consistency, added theh length_multiplier scale modification to constructors

---
 include/openmc/mesh.h |  2 ++
 src/mesh.cpp          | 18 ++++++++++++------
 2 files changed, 14 insertions(+), 6 deletions(-)

diff --git a/include/openmc/mesh.h b/include/openmc/mesh.h
index ce512c767..cd2e56bb0 100644
--- a/include/openmc/mesh.h
+++ b/include/openmc/mesh.h
@@ -704,6 +704,8 @@ public:
 
   double volume(int bin) const override;
 
+  libMesh::MeshBase * mesh_ptr() const;
+
 private:
   void initialize() override;
   void set_mesh_pointer_from_filename(const std::string& filename);
diff --git a/src/mesh.cpp b/src/mesh.cpp
index 44580d81b..5c2c8ea25 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -2332,6 +2332,9 @@ LibMesh::LibMesh(libMesh::MeshBase & input_mesh, double length_multiplier)
 {
   m_ = &input_mesh;
   set_length_multiplier(length_multiplier);
+  if (specified_length_multiplier_) {
+    libMesh::MeshTools::Modification::scale(*m_, length_multiplier_);
+  }
   initialize();
 }
 
@@ -2340,6 +2343,10 @@ LibMesh::LibMesh(const std::string& filename, double length_multiplier)
 {
   set_mesh_pointer_from_filename(filename);
   set_length_multiplier(length_multiplier);
+  if (specified_length_multiplier_) {
+    libMesh::MeshTools::Modification::scale(*m_, length_multiplier_);
+  }
+  m_->prepare_for_use();
   initialize();
 }
 
@@ -2362,12 +2369,6 @@ void LibMesh::initialize()
   // assuming that unstructured meshes used in OpenMC are 3D
   n_dimension_ = 3;
 
-  if (specified_length_multiplier_) {
-    libMesh::MeshTools::Modification::scale(*m_, length_multiplier_);
-  }
-
-  m_->prepare_for_use();
-
   // ensure that the loaded mesh is 3 dimensional
   if (m_->mesh_dimension() != n_dimension_) {
     fatal_error(fmt::format("Mesh file {} specified for use in an unstructured "
@@ -2565,6 +2566,11 @@ double LibMesh::volume(int bin) const
   return m_->elem_ref(bin).volume();
 }
 
+libMesh::MeshBase * mesh_ptr() const
+{
+  return m_;
+}
+
 #endif // LIBMESH
 
 //==============================================================================

From 045bc34ec4353ed0ff94448198e61027a26efe66 Mon Sep 17 00:00:00 2001
From: lewisgross1296 <ligross@wisc.edu>
Date: Tue, 26 Jul 2022 12:59:43 -0500
Subject: [PATCH 0676/2654] moved accessor to one liner in header

---
 include/openmc/mesh.h | 4 ++--
 src/mesh.cpp          | 5 -----
 2 files changed, 2 insertions(+), 7 deletions(-)

diff --git a/include/openmc/mesh.h b/include/openmc/mesh.h
index cd2e56bb0..6d2c2f029 100644
--- a/include/openmc/mesh.h
+++ b/include/openmc/mesh.h
@@ -704,7 +704,7 @@ public:
 
   double volume(int bin) const override;
 
-  libMesh::MeshBase * mesh_ptr() const;
+  libMesh::MeshBase* mesh_ptr() const { return m_; };
 
 private:
   void initialize() override;
@@ -720,7 +720,7 @@ private:
 
   // Data members
   unique_ptr<libMesh::MeshBase> unique_m_; //!< pointer to the libMesh MeshBase instance, only used if mesh is created inside OpenMC
-  libMesh::MeshBase * m_; //!< pointer to libMesh MeshBase instance, always set during intialization
+  libMesh::MeshBase* m_; //!< pointer to libMesh MeshBase instance, always set during intialization
   vector<unique_ptr<libMesh::PointLocatorBase>>
     pl_; //!< per-thread point locators
   unique_ptr<libMesh::EquationSystems>
diff --git a/src/mesh.cpp b/src/mesh.cpp
index 5c2c8ea25..d849e5d55 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -2566,11 +2566,6 @@ double LibMesh::volume(int bin) const
   return m_->elem_ref(bin).volume();
 }
 
-libMesh::MeshBase * mesh_ptr() const
-{
-  return m_;
-}
-
 #endif // LIBMESH
 
 //==============================================================================

From e4a10c8d05cb587a40a1711fed6cd55c4ddc756c Mon Sep 17 00:00:00 2001
From: myerspat <myerspat@umich.edu>
Date: Tue, 26 Jul 2022 16:38:54 -0500
Subject: [PATCH 0677/2654] Added new algorithm for complex cell finding using
 infix

---
 src/cell.cpp | 120 +++++++++++++++++++++++++--------------------------
 1 file changed, 60 insertions(+), 60 deletions(-)

diff --git a/src/cell.cpp b/src/cell.cpp
index 2e26e2c17..578fb024d 100644
--- a/src/cell.cpp
+++ b/src/cell.cpp
@@ -514,14 +514,16 @@ CSGCell::CSGCell(pugi::xml_node cell_node)
     }
   }
 
-  // Convert the infix region spec to RPN.
-  //rpn_ = generate_rpn(id_, region_);
+  // Convert the infix region spec to infix with no complements 
+  // using De Morgan's law.
+  // TODO: Convert rpn to something that makes sense
   rpn_ = region_;
+  remove_complement_ops(rpn_);
 
   // Check if this is a simple cell.
   simple_ = true;
   for (int32_t token : rpn_) {
-    if ((token == OP_COMPLEMENT) || (token == OP_UNION)) {
+    if (token == OP_UNION) {
       simple_ = false;
       break;
     }
@@ -529,16 +531,11 @@ CSGCell::CSGCell(pugi::xml_node cell_node)
 
   // If this cell is simple, remove all the superfluous operator tokens.
   if (simple_) {
-    size_t i0 = 0;
-    size_t i1 = 0;
-    while (i1 < rpn_.size()) {
-      if (rpn_[i1] < OP_UNION) {
-        rpn_[i0] = rpn_[i1];
-        ++i0;
+    for (auto it = rpn_.begin(); it != rpn_.end(); it++) {
+      if (*it == OP_INTERSECTION || *it > OP_COMPLEMENT) {
+        rpn_.erase(it);
       }
-      ++i1;
     }
-    rpn_.resize(i0);
   }
   rpn_.shrink_to_fit();
 
@@ -648,7 +645,7 @@ BoundingBox CSGCell::bounding_box_simple() const
 void CSGCell::apply_demorgan(
   vector<int32_t>::iterator start, vector<int32_t>::iterator stop)
 {
-  while (start < stop) {
+  do {
     if (*start < OP_UNION) {
       *start *= -1;
     } else if (*start == OP_UNION) {
@@ -657,16 +654,16 @@ void CSGCell::apply_demorgan(
       *start = OP_UNION;
     }
     start++;
-  }
+  } while (start < stop);
 }
 
 vector<int32_t>::iterator CSGCell::find_left_parenthesis(
-  vector<int32_t>::iterator start, const vector<int32_t>& rpn)
+  vector<int32_t>::iterator start, const vector<int32_t>& infix)
 {
   // start search at zero
   int parenthesis_level = 0;
   auto it = start;
-  while (it != rpn.begin()) {
+  while (it != infix.begin()) {
     // look at two tokens at a time
     int32_t one = *it;
     int32_t two = *(it - 1);
@@ -693,21 +690,25 @@ vector<int32_t>::iterator CSGCell::find_left_parenthesis(
   return it;
 }
 
-void CSGCell::remove_complement_ops(vector<int32_t>& rpn)
+void CSGCell::remove_complement_ops(vector<int32_t>& infix)
 {
-  auto it = std::find(rpn.begin(), rpn.end(), OP_COMPLEMENT);
-  while (it != rpn.end()) {
-    // find the opening parenthesis (if any)
-    auto left = find_left_parenthesis(it, rpn);
-    vector<int32_t> tmp(left, it + 1);
+  auto it = std::find(infix.begin(), infix.end(), OP_COMPLEMENT);
+  while (it != infix.end()) {
+    // Erase complement
+    infix.erase(it);
+
+    // Define stop given left parenthesis or not
+    auto stop = it;
+    if (*it == OP_LEFT_PAREN) {
+      stop = std::find(infix.begin(), infix.end(), OP_RIGHT_PAREN);
+      it++;
+    }
 
     // apply DeMorgan's law to any surfaces/operators between these
     // positions in the RPN
-    apply_demorgan(left, it);
-    // remove complement operator
-    rpn.erase(it);
+    apply_demorgan(it, stop);
     // update iterator position
-    it = std::find(rpn.begin(), rpn.end(), OP_COMPLEMENT);
+    it = std::find(infix.begin(), infix.end(), OP_COMPLEMENT);
   }
 }
 
@@ -770,43 +771,42 @@ bool CSGCell::contains_complex(
   Position r, Direction u, int32_t on_surface) const
 {
   bool in_cell = true;
-  bool negate = false;
-  int paren_depth = 0;
-  int negate_depth = 0;
+  
+  // For each token
+  for (auto it = rpn_.begin(); it != rpn_.end(); it++) {
+    int32_t token = *it;
 
-  for (int32_t token : rpn_) {
-     if (token < OP_UNION && in_cell == true) {
-       if (token == on_surface) {
-         in_cell = true;
-       } else if (-token == on_surface) {
-         in_cell = false;
-       } else {
-         // Note the off-by-one
-         bool sense = model::surfaces[abs(token) - 1]->sense(r, u);
-         in_cell = (sense == (token > 0));
-       }
-     } else if (token == OP_UNION) {
-       if (in_cell == false) {
-         in_cell = true;
-       } else if (paren_depth == 0) {
-         break;
-       }
-     } else if (token == OP_RIGHT_PAREN) {
-       paren_depth--;
-     } else if (token == OP_LEFT_PAREN) {
-       paren_depth++;
-     } else if (token == OP_COMPLEMENT) {
-       negate = true;
-       negate_depth = paren_depth;
-       continue;
-     } else if (paren_depth == 0) {
-       break;
-     }
-
-      if (negate == true && negate_depth == paren_depth) {
-        in_cell = !in_cell;
-        negate = false;
+    // If the token is a surface evaluate the sense
+    // If the token is a union or intersection check to 
+    // short circuit
+    if (token < OP_UNION) {
+      if (token == on_surface) {
+        in_cell = true;
+      } else if (-token == on_surface) {
+        in_cell = false;
+      } else {
+        // Note the off-by-one indexing
+        bool sense = model::surfaces[abs(token) - 1]->sense(r, u);
+        in_cell = (sense == (token > 0));
       }
+    } else if ((token == OP_UNION && in_cell == true) ||
+               (token == OP_INTERSECTION && in_cell == false)) {
+      // While the iterator is within the bounds of the vector
+      do {
+        // Get next token
+        it++;
+        int32_t next_token = *it;
+
+        // If the next token is a left parenthesis skip until
+        // the next right parenthesis, if the token is a right 
+        // parenthesis leave short circuiting
+        if (next_token == OP_LEFT_PAREN) {
+          it = std::find(it, rpn_.end(), OP_RIGHT_PAREN);
+        } else if (next_token == OP_RIGHT_PAREN) {
+          break;
+        }
+      } while (it < rpn_.end() - 1);
+    }
   }
   return in_cell;
 }

From 5161da8031ce97d2c5b19a98614d9d5fc2a52f27 Mon Sep 17 00:00:00 2001
From: lewisgross1296 <ligross@wisc.edu>
Date: Tue, 26 Jul 2022 16:39:54 -0500
Subject: [PATCH 0678/2654] retrireve filename and length_multiplier from XML
 file and call methods similar to filename case for XML constructor

---
 include/openmc/mesh.h | 2 +-
 src/mesh.cpp          | 8 ++++++++
 2 files changed, 9 insertions(+), 1 deletion(-)

diff --git a/include/openmc/mesh.h b/include/openmc/mesh.h
index 6d2c2f029..0ace6dfea 100644
--- a/include/openmc/mesh.h
+++ b/include/openmc/mesh.h
@@ -7,13 +7,13 @@
 #include <unordered_map>
 
 #include "hdf5.h"
-#include "pugixml.hpp"
 #include "xtensor/xtensor.hpp"
 
 #include "openmc/memory.h" // for unique_ptr
 #include "openmc/particle.h"
 #include "openmc/position.h"
 #include "openmc/vector.h"
+#include "openmc/xml_interface.h"
 
 #ifdef DAGMC
 #include "moab/AdaptiveKDTree.hpp"
diff --git a/src/mesh.cpp b/src/mesh.cpp
index d849e5d55..771d6f81f 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -2324,6 +2324,14 @@ const std::string LibMesh::mesh_lib_type = "libmesh";
 
 LibMesh::LibMesh(pugi::xml_node node) : UnstructuredMesh(node)
 {
+  std::string& filename = node.get_node_value(node, "filename");
+  double length_multiplier = std::stod(node.get_node_value(node, "length_multiplier"));
+  set_mesh_pointer_from_filename(filename);
+  set_length_multiplier(length_multiplier);
+  if (specified_length_multiplier_) {
+    libMesh::MeshTools::Modification::scale(*m_, length_multiplier_);
+  }
+  m_->prepare_for_use();
   initialize();
 }
 

From 3c2d79a24198b87a1ed4a6473c920c02da773374 Mon Sep 17 00:00:00 2001
From: lewisgross1296 <ligross@wisc.edu>
Date: Tue, 26 Jul 2022 17:01:50 -0500
Subject: [PATCH 0679/2654] added back in header (despite redundancy) due to
 use in mesh files

---
 include/openmc/mesh.h | 1 +
 1 file changed, 1 insertion(+)

diff --git a/include/openmc/mesh.h b/include/openmc/mesh.h
index 0ace6dfea..13138a739 100644
--- a/include/openmc/mesh.h
+++ b/include/openmc/mesh.h
@@ -8,6 +8,7 @@
 
 #include "hdf5.h"
 #include "xtensor/xtensor.hpp"
+#include "pugixml.hpp"
 
 #include "openmc/memory.h" // for unique_ptr
 #include "openmc/particle.h"

From 5f1f0827aed488f1fde8876fcf28961c2ebd7d31 Mon Sep 17 00:00:00 2001
From: lewisgross1296 <ligross@wisc.edu>
Date: Tue, 26 Jul 2022 17:55:43 -0500
Subject: [PATCH 0680/2654] not supposed to call method on node object, other
 places use it from no object. following those examples

---
 src/mesh.cpp | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/src/mesh.cpp b/src/mesh.cpp
index 771d6f81f..e2c1e50ec 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -2324,8 +2324,8 @@ const std::string LibMesh::mesh_lib_type = "libmesh";
 
 LibMesh::LibMesh(pugi::xml_node node) : UnstructuredMesh(node)
 {
-  std::string& filename = node.get_node_value(node, "filename");
-  double length_multiplier = std::stod(node.get_node_value(node, "length_multiplier"));
+  std::string& filename = get_node_value(node, "filename");
+  double length_multiplier = std::stod(get_node_value(node, "length_multiplier"));
   set_mesh_pointer_from_filename(filename);
   set_length_multiplier(length_multiplier);
   if (specified_length_multiplier_) {

From 35c3ef9e2dbfccfe212267a02a6a72a2a1849821 Mon Sep 17 00:00:00 2001
From: lewisgross1296 <ligross@wisc.edu>
Date: Tue, 26 Jul 2022 18:18:26 -0500
Subject: [PATCH 0681/2654] filenanme shouldn't be a reference since the RHS
 initializes with a non-const rvalue, causing an error

---
 src/mesh.cpp | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/src/mesh.cpp b/src/mesh.cpp
index e2c1e50ec..ca19a02b6 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -2324,7 +2324,7 @@ const std::string LibMesh::mesh_lib_type = "libmesh";
 
 LibMesh::LibMesh(pugi::xml_node node) : UnstructuredMesh(node)
 {
-  std::string& filename = get_node_value(node, "filename");
+  std::string filename = get_node_value(node, "filename");
   double length_multiplier = std::stod(get_node_value(node, "length_multiplier"));
   set_mesh_pointer_from_filename(filename);
   set_length_multiplier(length_multiplier);

From 1e4371549c6a3478a79d064933c2f8edd451e528 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Wed, 27 Jul 2022 09:41:56 -0500
Subject: [PATCH 0682/2654] Returning unstructured mesh dimension as a tuple.
 Improving error message format

---
 openmc/mesh.py | 8 ++++----
 1 file changed, 4 insertions(+), 4 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index d88f6e363..9c837fd8e 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -1616,7 +1616,7 @@ class UnstructuredMesh(MeshBase):
 
     @property
     def dimension(self):
-        return self.n_elements
+        return (self.n_elements,)
 
     @property
     def n_dimension(self):
@@ -1725,15 +1725,15 @@ class UnstructuredMesh(MeshBase):
         datasets_out = []
         if datasets is not None:
             for name, data in datasets.items():
-                if data.shape != (self.dimension,):
-                    raise ValueError(f'Cannot apply dataset {name} with '
+                if data.shape != self.dimension:
+                    raise ValueError(f'Cannot apply dataset "{name}" with '
                                      f'shape {data.shape} to mesh {self.id} '
                                      f'with dimensions {self.dimension}')
 
             if volume_normalization:
                 for name, data in datasets.items():
                     if np.issubdtype(data.dtype, np.integer):
-                        warnings.warn(f'Integer data set {name} will '
+                        warnings.warn(f'Integer data set "{name}" will '
                                       'not be volume-normalized.')
                         continue
                     data /= self.volumes

From 67d01417b7c3092d7333702971da357b9d3c4e33 Mon Sep 17 00:00:00 2001
From: myerspat <myerspat@umich.edu>
Date: Wed, 27 Jul 2022 11:18:02 -0500
Subject: [PATCH 0683/2654] Fixed errors due to iterators

---
 src/cell.cpp | 6 +++---
 1 file changed, 3 insertions(+), 3 deletions(-)

diff --git a/src/cell.cpp b/src/cell.cpp
index 578fb024d..edd4da84d 100644
--- a/src/cell.cpp
+++ b/src/cell.cpp
@@ -700,7 +700,7 @@ void CSGCell::remove_complement_ops(vector<int32_t>& infix)
     // Define stop given left parenthesis or not
     auto stop = it;
     if (*it == OP_LEFT_PAREN) {
-      stop = std::find(infix.begin(), infix.end(), OP_RIGHT_PAREN);
+      stop = std::find(it, infix.end(), OP_RIGHT_PAREN);
       it++;
     }
 
@@ -708,7 +708,7 @@ void CSGCell::remove_complement_ops(vector<int32_t>& infix)
     // positions in the RPN
     apply_demorgan(it, stop);
     // update iterator position
-    it = std::find(infix.begin(), infix.end(), OP_COMPLEMENT);
+    it = std::find(it, infix.end(), OP_COMPLEMENT);
   }
 }
 
@@ -801,7 +801,7 @@ bool CSGCell::contains_complex(
         // the next right parenthesis, if the token is a right 
         // parenthesis leave short circuiting
         if (next_token == OP_LEFT_PAREN) {
-          it = std::find(it, rpn_.end(), OP_RIGHT_PAREN);
+          it = std::find(it, rpn_.end() - 1, OP_RIGHT_PAREN);
         } else if (next_token == OP_RIGHT_PAREN) {
           break;
         }

From 7dfb35a39a553bcb7abe06447a2d8e0a2ff6dc46 Mon Sep 17 00:00:00 2001
From: myerspat <myerspat@umich.edu>
Date: Wed, 27 Jul 2022 12:15:46 -0500
Subject: [PATCH 0684/2654] removed rpn_ and changed to only region_

---
 include/openmc/cell.h |  2 --
 src/cell.cpp          | 32 ++++++++++++++------------------
 src/geometry_aux.cpp  |  2 +-
 src/universe.cpp      |  4 ++--
 4 files changed, 17 insertions(+), 23 deletions(-)

diff --git a/include/openmc/cell.h b/include/openmc/cell.h
index 01f037586..887901707 100644
--- a/include/openmc/cell.h
+++ b/include/openmc/cell.h
@@ -202,8 +202,6 @@ public:
 
   //! Definition of spatial region as Boolean expression of half-spaces
   vector<std::int32_t> region_;
-  //! Reverse Polish notation for region expression
-  vector<std::int32_t> rpn_;
   bool simple_; //!< Does the region contain only intersections?
 
   //! \brief Neighboring cells in the same universe.
diff --git a/src/cell.cpp b/src/cell.cpp
index edd4da84d..943722f35 100644
--- a/src/cell.cpp
+++ b/src/cell.cpp
@@ -497,8 +497,10 @@ CSGCell::CSGCell(pugi::xml_node cell_node)
     region_spec = get_node_value(cell_node, "region");
   }
 
-  // Get a tokenized representation of the region specification.
+  // Get a tokenized representation of the region specification
+  // and apply De Morgan's laws to remove complements.
   region_ = tokenize(region_spec);
+  remove_complement_ops(region_);
   region_.shrink_to_fit();
 
   // Convert user IDs to surface indices.
@@ -514,15 +516,9 @@ CSGCell::CSGCell(pugi::xml_node cell_node)
     }
   }
 
-  // Convert the infix region spec to infix with no complements 
-  // using De Morgan's law.
-  // TODO: Convert rpn to something that makes sense
-  rpn_ = region_;
-  remove_complement_ops(rpn_);
-
   // Check if this is a simple cell.
   simple_ = true;
-  for (int32_t token : rpn_) {
+  for (int32_t token : region_) {
     if (token == OP_UNION) {
       simple_ = false;
       break;
@@ -531,13 +527,13 @@ CSGCell::CSGCell(pugi::xml_node cell_node)
 
   // If this cell is simple, remove all the superfluous operator tokens.
   if (simple_) {
-    for (auto it = rpn_.begin(); it != rpn_.end(); it++) {
+    for (auto it = region_.begin(); it != region_.end(); it++) {
       if (*it == OP_INTERSECTION || *it > OP_COMPLEMENT) {
-        rpn_.erase(it);
+        region_.erase(it);
       }
     }
   }
-  rpn_.shrink_to_fit();
+  region_.shrink_to_fit();
 
   // Read the translation vector.
   if (check_for_node(cell_node, "translation")) {
@@ -581,7 +577,7 @@ std::pair<double, int32_t> CSGCell::distance(
   double min_dist {INFTY};
   int32_t i_surf {std::numeric_limits<int32_t>::max()};
 
-  for (int32_t token : rpn_) {
+  for (int32_t token : region_) {
     // Ignore this token if it corresponds to an operator rather than a region.
     if (token >= OP_UNION)
       continue;
@@ -636,7 +632,7 @@ void CSGCell::to_hdf5_inner(hid_t group_id) const
 BoundingBox CSGCell::bounding_box_simple() const
 {
   BoundingBox bbox;
-  for (int32_t token : rpn_) {
+  for (int32_t token : region_) {
     bbox &= model::surfaces[abs(token) - 1]->bounding_box(token > 0);
   }
   return bbox;
@@ -739,14 +735,14 @@ BoundingBox CSGCell::bounding_box_complex(vector<int32_t> rpn)
 
 BoundingBox CSGCell::bounding_box() const
 {
-  return simple_ ? bounding_box_simple() : bounding_box_complex(rpn_);
+  return simple_ ? bounding_box_simple() : bounding_box_complex(region_);
 }
 
 //==============================================================================
 
 bool CSGCell::contains_simple(Position r, Direction u, int32_t on_surface) const
 {
-  for (int32_t token : rpn_) {
+  for (int32_t token : region_) {
     // Assume that no tokens are operators. Evaluate the sense of particle with
     // respect to the surface and see if the token matches the sense. If the
     // particle's surface attribute is set and matches the token, that
@@ -773,7 +769,7 @@ bool CSGCell::contains_complex(
   bool in_cell = true;
   
   // For each token
-  for (auto it = rpn_.begin(); it != rpn_.end(); it++) {
+  for (auto it = region_.begin(); it != region_.end(); it++) {
     int32_t token = *it;
 
     // If the token is a surface evaluate the sense
@@ -801,11 +797,11 @@ bool CSGCell::contains_complex(
         // the next right parenthesis, if the token is a right 
         // parenthesis leave short circuiting
         if (next_token == OP_LEFT_PAREN) {
-          it = std::find(it, rpn_.end() - 1, OP_RIGHT_PAREN);
+          it = std::find(it, region_.end() - 1, OP_RIGHT_PAREN);
         } else if (next_token == OP_RIGHT_PAREN) {
           break;
         }
-      } while (it < rpn_.end() - 1);
+      } while (it < region_.end() - 1);
     }
   }
   return in_cell;
diff --git a/src/geometry_aux.cpp b/src/geometry_aux.cpp
index ddce2469b..c3458d469 100644
--- a/src/geometry_aux.cpp
+++ b/src/geometry_aux.cpp
@@ -154,7 +154,7 @@ void partition_universes()
       // Collect the set of surfaces in this universe.
       std::unordered_set<int32_t> surf_inds;
       for (auto i_cell : univ->cells_) {
-        for (auto token : model::cells[i_cell]->rpn_) {
+        for (auto token : model::cells[i_cell]->region_) {
           if (token < OP_UNION)
             surf_inds.insert(std::abs(token) - 1);
         }
diff --git a/src/universe.cpp b/src/universe.cpp
index f3f9cf8e8..873d03bb7 100644
--- a/src/universe.cpp
+++ b/src/universe.cpp
@@ -98,7 +98,7 @@ UniversePartitioner::UniversePartitioner(const Universe& univ)
   // Find all of the z-planes in this universe.  A set is used here for the
   // O(log(n)) insertions that will ensure entries are not repeated.
   for (auto i_cell : univ.cells_) {
-    for (auto token : model::cells[i_cell]->rpn_) {
+    for (auto token : model::cells[i_cell]->region_) {
       if (token < OP_UNION) {
         auto i_surf = std::abs(token) - 1;
         const auto* surf = model::surfaces[i_surf].get();
@@ -125,7 +125,7 @@ UniversePartitioner::UniversePartitioner(const Universe& univ)
     // Find the tokens for bounding z-planes.
     int32_t lower_token = 0, upper_token = 0;
     double min_z, max_z;
-    for (auto token : model::cells[i_cell]->rpn_) {
+    for (auto token : model::cells[i_cell]->region_) {
       if (token < OP_UNION) {
         const auto* surf = model::surfaces[std::abs(token) - 1].get();
         if (const auto* zplane = dynamic_cast<const SurfaceZPlane*>(surf)) {

From 3010c5e9ad27cff6c4f3a54e8d202f0ef796ef5e Mon Sep 17 00:00:00 2001
From: lewisgross1296 <ligross@wisc.edu>
Date: Wed, 27 Jul 2022 12:48:30 -0500
Subject: [PATCH 0685/2654] moved m->prepare_for_use() back to initialize, but
 only occurs if unique_m exists. XML constructor can access member variables
 from UnstucturedMesh constructor

---
 src/mesh.cpp | 26 +++++++++++---------------
 1 file changed, 11 insertions(+), 15 deletions(-)

diff --git a/src/mesh.cpp b/src/mesh.cpp
index ca19a02b6..8e9d4bcec 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -2324,14 +2324,8 @@ const std::string LibMesh::mesh_lib_type = "libmesh";
 
 LibMesh::LibMesh(pugi::xml_node node) : UnstructuredMesh(node)
 {
-  std::string filename = get_node_value(node, "filename");
-  double length_multiplier = std::stod(get_node_value(node, "length_multiplier"));
-  set_mesh_pointer_from_filename(filename);
-  set_length_multiplier(length_multiplier);
-  if (specified_length_multiplier_) {
-    libMesh::MeshTools::Modification::scale(*m_, length_multiplier_);
-  }
-  m_->prepare_for_use();
+  set_mesh_pointer_from_filename(filename_);
+  set_length_multiplier(length_multiplier_);
   initialize();
 }
 
@@ -2340,9 +2334,6 @@ LibMesh::LibMesh(libMesh::MeshBase & input_mesh, double length_multiplier)
 {
   m_ = &input_mesh;
   set_length_multiplier(length_multiplier);
-  if (specified_length_multiplier_) {
-    libMesh::MeshTools::Modification::scale(*m_, length_multiplier_);
-  }
   initialize();
 }
 
@@ -2351,10 +2342,6 @@ LibMesh::LibMesh(const std::string& filename, double length_multiplier)
 {
   set_mesh_pointer_from_filename(filename);
   set_length_multiplier(length_multiplier);
-  if (specified_length_multiplier_) {
-    libMesh::MeshTools::Modification::scale(*m_, length_multiplier_);
-  }
-  m_->prepare_for_use();
   initialize();
 }
 
@@ -2377,6 +2364,15 @@ void LibMesh::initialize()
   // assuming that unstructured meshes used in OpenMC are 3D
   n_dimension_ = 3;
 
+  if (specified_length_multiplier_) {
+    libMesh::MeshTools::Modification::scale(*m_, length_multiplier_);
+  }
+  // if OpenMC is managing the libMesh::MeshBase instance, prepare the mesh.
+  // Otherwise assume that it is prepared by it's owning application
+  if (unique_m_) {
+    m_->prepare_for_use();
+  }
+
   // ensure that the loaded mesh is 3 dimensional
   if (m_->mesh_dimension() != n_dimension_) {
     fatal_error(fmt::format("Mesh file {} specified for use in an unstructured "

From 7c215543ebe7f3090683096b93047082b325179a Mon Sep 17 00:00:00 2001
From: lewisgross1296 <ligross@wisc.edu>
Date: Wed, 27 Jul 2022 12:53:19 -0500
Subject: [PATCH 0686/2654] added comment to XML constructor. initialized
 unique_m_ to nullptr to help some compilers

---
 include/openmc/mesh.h | 2 +-
 src/mesh.cpp          | 1 +
 2 files changed, 2 insertions(+), 1 deletion(-)

diff --git a/include/openmc/mesh.h b/include/openmc/mesh.h
index 13138a739..02bd3bc5a 100644
--- a/include/openmc/mesh.h
+++ b/include/openmc/mesh.h
@@ -720,7 +720,7 @@ private:
   int get_bin_from_element(const libMesh::Elem* elem) const;
 
   // Data members
-  unique_ptr<libMesh::MeshBase> unique_m_; //!< pointer to the libMesh MeshBase instance, only used if mesh is created inside OpenMC
+  unique_ptr<libMesh::MeshBase> unique_m_ = nullptr; //!< pointer to the libMesh MeshBase instance, only used if mesh is created inside OpenMC
   libMesh::MeshBase* m_; //!< pointer to libMesh MeshBase instance, always set during intialization
   vector<unique_ptr<libMesh::PointLocatorBase>>
     pl_; //!< per-thread point locators
diff --git a/src/mesh.cpp b/src/mesh.cpp
index 8e9d4bcec..dfa443b7f 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -2324,6 +2324,7 @@ const std::string LibMesh::mesh_lib_type = "libmesh";
 
 LibMesh::LibMesh(pugi::xml_node node) : UnstructuredMesh(node)
 {
+  // filename_ and length_multiplier_ will already be set by the UnstructuredMesh constructor
   set_mesh_pointer_from_filename(filename_);
   set_length_multiplier(length_multiplier_);
   initialize();

From b3d0f20a0010dd930e4f403848d72164f32b294e Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Wed, 27 Jul 2022 13:15:10 -0500
Subject: [PATCH 0687/2654] added add_nuclides method

---
 openmc/material.py                | 14 ++++++++++++++
 tests/unit_tests/test_material.py | 28 +++++++++++++++++++++++++++-
 2 files changed, 41 insertions(+), 1 deletion(-)

diff --git a/openmc/material.py b/openmc/material.py
index a837b1f17..cd181539c 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -403,6 +403,20 @@ class Material(IDManagerMixin):
 
         self._nuclides.append(NuclideTuple(nuclide, percent, percent_type))
 
+    def add_nuclides(self, nuclides: dict):
+        """ Add multiple nuclides to a material
+
+        Parameters
+        ----------
+        nuclides : dict of str to tuple
+            Dictionary mapping nuclide names to a tuple containing their
+            atom or weight percent.
+
+        """
+
+        for nuclide, (percent, percent_type) in nuclides.items():
+                self.add_nuclide(nuclide, percent, percent_type)
+
     def remove_nuclide(self, nuclide: str):
         """Remove a nuclide from the material
 
diff --git a/tests/unit_tests/test_material.py b/tests/unit_tests/test_material.py
index fd0e4f624..8dde30485 100644
--- a/tests/unit_tests/test_material.py
+++ b/tests/unit_tests/test_material.py
@@ -25,6 +25,32 @@ def test_add_nuclide():
     with pytest.raises(ValueError):
         m.add_nuclide('H1', 1.0, 'oa')
 
+def test_add_nuclides():
+    """Test adding multipe nuclides at once"""
+    m = openmc.Material()
+    nuclides = {'H1': (2.0, 'ao'),
+                'O16': (1.0, 'wo')}
+    m.add_nuclides(nuclides)
+
+    # wt-%
+    m = openmc.Material()
+    nuclides = {'H1': (2.0, 'wo'),
+                'O16': (1.0, 'wo')}
+    m.add_nuclides(nuclides)
+
+    # mixed
+    m = openmc.Material()
+    nuclides = {'H1': (2.0, 'ao'),
+                'O16': (1.0, 'wo')}
+    m.add_nuclides(nuclides)
+
+    with pytest.raises(TypeError):
+        m.add_nuclides({'H1': ('1.0', 'ao')})
+    with pytest.raises(TypeError):
+        m.add_nuclides({1.0: ('H1', 'wo')})
+    with pytest.raises(ValueError):
+        m.add_nuclides({'H1': (1.0, 'oa')})
+
 
 def test_remove_nuclide():
     """Test removing nuclides."""
@@ -441,7 +467,7 @@ def test_activity_of_tritium():
     m1.add_nuclide("H3", 1)
     m1.set_density('g/cm3', 1)
     m1.volume = 1
-    assert pytest.approx(m1.activity) == 3.559778e14 
+    assert pytest.approx(m1.activity) == 3.559778e14
 
 
 def test_activity_of_metastable():

From 4818a296d4893a809baf5f3b171413dcdd3ff7ee Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Wed, 27 Jul 2022 12:27:16 -0500
Subject: [PATCH 0688/2654] Made changes from paulromano's 2nd round of
 comments - Syntax improvements and fixes - removed `flux` parameter from
 Integrator - Moved generate_1g_cross_sections to a top level function in  
 flux_operator.py - changed normalization modes: constant-flux -> source-rate;
   constant-power -> fission-q - fixed regression tests (fission-q reference
 solution was bad before,   but is now much more reasonable and comparable to
 the source-rate   reference solution) - added `nuc_units` parameter to the
 `from_nuclides` method. - docstring fixes - RST doc fixes - spelling fixes

---
 docs/source/usersguide/depletion.rst          |  16 +-
 openmc/deplete/abc.py                         |  26 +-
 openmc/deplete/flux_operator.py               | 247 +++++++++---------
 openmc/deplete/helpers.py                     |   8 +-
 openmc/deplete/integrators.py                 |   2 +-
 openmc/deplete/openmc_operator.py             |   5 +-
 openmc/deplete/operator.py                    |  16 +-
 .../deplete_no_transport/test.py              |  31 ++-
 ...t_power.h5 => test_reference_fission_q.h5} | Bin 35688 -> 35688 bytes
 ..._flux.h5 => test_reference_source_rate.h5} | Bin
 .../unit_tests/test_deplete_flux_operator.py  |   2 +-
 11 files changed, 178 insertions(+), 175 deletions(-)
 rename tests/regression_tests/deplete_no_transport/{test_reference_constant_power.h5 => test_reference_fission_q.h5} (99%)
 rename tests/regression_tests/deplete_no_transport/{test_reference_constant_flux.h5 => test_reference_source_rate.h5} (100%)

diff --git a/docs/source/usersguide/depletion.rst b/docs/source/usersguide/depletion.rst
index e95e098c4..cfb373e13 100644
--- a/docs/source/usersguide/depletion.rst
+++ b/docs/source/usersguide/depletion.rst
@@ -19,10 +19,10 @@ transmutation equations and the method used for advancing time. At present, the
 :class:`openmc.deplete.Operator` (which uses the OpenMC transport solver), but
 in principle additional operator classes based on other transport codes could be
 implemented and no changes to the depletion solver itself would be needed. The
-operator class requires a :class:`openmc.model.Model` instance containing 
+operator class requires a :class:`~openmc.Model` instance containing 
 material, geometry, and settings information::
 
-    model = openmc.model.Model()
+    model = openmc.Model()
     ...
 
     op = openmc.deplete.Operator(model)
@@ -189,17 +189,18 @@ Transport-independent depletion
 
 OpenMC supports running depletion calculations independent of the OpenMC
 transport solver using the :class:`~openmc.deplete.FluxDepletionOperator` class.
-This class supports both constant-flux and constant-power depletion.
+This class supports both constant-flux (``source-rate`` normalization) and 
+constant-power depletion (``fission-q`` normalization).
 
 .. important::
 
-   Make sure you set the correct parameter in the :class:`openmc.abc.Integrator` class. Use the ``flux`` parameter when ``normalization_mode == constant-flux``, and use ``power`` or ``power_density`` when ``normalization_mode == constant-power``.
+   Make sure you set the correct parameter in the :class:`openmc.abc.Integrator` class. Use the ``source_rates`` parameter when ``normalization_mode == source-rate``, and use ``power`` or ``power_density`` when ``normalization_mode == fission-q``.
 
 .. warning::
 
-   The accuracy of results when using ``constant-power`` is entirely dependent on your depletion chain. Make sure it has sufficient data to resolve the dynamics of your particular scenario. 
+   The accuracy of results when using ``fission-q`` is entirely dependent on your depletion chain. Make sure it has sufficient data to resolve the dynamics of your particular scenario. 
 
-This class has two ways to initalize it: the default constructor accepts an 
+This class has two ways to initialize it: the default constructor accepts an 
 :class:`openmc.Materials` object and one-group microscopic 
 cross sections as a :class:`pandas.DataFrame`, while the ``from_nuclides``
 method accepts a volume and dictionary of nuclide concentrations in place of
@@ -221,7 +222,8 @@ or from data arrays::
                 'O16': 4.64e22,
                 'O17': 1.76e19}
     volume = 0.5 
-    op = FluxDepletionOperator.from_nuclides(volume, nuclides, micro_xs, flux, chain_file)
+    op = FluxDepletionOperator.from_nuclides(volume, nuclides, 'atom/cm3',
+                                             micro_xs, flux, chain_file)
 
 A user can then define an integrator class as they would for a coupled
 transport-depletion calculation and follow the same steps from there.
diff --git a/openmc/deplete/abc.py b/openmc/deplete/abc.py
index 24859151f..90a353d93 100644
--- a/openmc/deplete/abc.py
+++ b/openmc/deplete/abc.py
@@ -524,11 +524,10 @@ class Integrator(ABC):
     power_density : float or iterable of float, optional
         Power density of the reactor in [W/gHM]. It is multiplied by
         initial heavy metal inventory to get total power if ``power``
-        is not speficied.
-    flux : float or iterable of float, optional
-        neutron flux in [neut/s-cm^2] for each interval in :attr:`timesteps`
+        is not specified.
     source_rates : float or iterable of float, optional
-        source rate in [neutron/sec] for each interval in :attr:`timesteps`
+        Source rate in [neutron/sec] or neutron flux in [neut/s-cm^2] for each
+        interval in :attr:`timesteps`
 
         .. versionadded:: 0.12.1
     timestep_units : {'s', 'min', 'h', 'd', 'MWd/kg'}
@@ -579,7 +578,7 @@ class Integrator(ABC):
     """
 
     def __init__(self, operator, timesteps, power=None, power_density=None,
-                 flux=None, source_rates=None, timestep_units='s', solver="cram48"):
+                 source_rates=None, timestep_units='s', solver="cram48"):
         # Check number of stages previously used
         if operator.prev_res is not None:
             res = operator.prev_res[-1]
@@ -601,10 +600,8 @@ class Integrator(ABC):
                 source_rates = power_density * operator.heavy_metal
             else:
                 source_rates = [p*operator.heavy_metal for p in power_density]
-        elif flux is not None:
-            source_rates = flux
         elif source_rates is None:
-            raise ValueError("Either power, power_density, flux, or source_rates must be set")
+            raise ValueError("Either power, power_density, source_rates must be set")
 
         if not isinstance(source_rates, Iterable):
             # Ensure that rate is single value if that is the case
@@ -865,11 +862,10 @@ class SIIntegrator(Integrator):
     power_density : float or iterable of float, optional
         Power density of the reactor in [W/gHM]. It is multiplied by
         initial heavy metal inventory to get total power if ``power``
-        is not speficied.
-    flux : float or iterable of float, optional
-        neutron flux in [neut/s-cm^2] for each interval in :attr:`timesteps`
+        is not specified.
     source_rates : float or iterable of float, optional
-        Source rate in [neutron/sec] for each interval in :attr:`timesteps`
+        Source rate in [neutron/sec] or neutron flux in [neut/s-cm^2] for each
+        interval in :attr:`timesteps`
 
         .. versionadded:: 0.12.1
     timestep_units : {'s', 'min', 'h', 'd', 'MWd/kg'}
@@ -924,12 +920,12 @@ class SIIntegrator(Integrator):
     """
 
     def __init__(self, operator, timesteps, power=None, power_density=None,
-                 flux=None, source_rates=None, timestep_units='s', n_steps=10,
+                 source_rates=None, timestep_units='s', n_steps=10,
                  solver="cram48"):
         check_type("n_steps", n_steps, Integral)
         check_greater_than("n_steps", n_steps, 0)
         super().__init__(
-            operator, timesteps, power, power_density, flux, source_rates,
+            operator, timesteps, power, power_density, source_rates,
             timestep_units=timestep_units, solver=solver)
         self.n_steps = n_steps
 
@@ -1014,7 +1010,7 @@ class DepSystemSolver(ABC):
         Parameters
         ----------
         A : scipy.sparse.csr_matrix
-            Sparse transmutation matrix ``A[j, i]`` desribing rates at
+            Sparse transmutation matrix ``A[j, i]`` describing rates at
             which isotope ``i`` transmutes to isotope ``j``
         n0 : numpy.ndarray
             Initial compositions, typically given in number of atoms in some
diff --git a/openmc/deplete/flux_operator.py b/openmc/deplete/flux_operator.py
index 974255753..410552671 100644
--- a/openmc/deplete/flux_operator.py
+++ b/openmc/deplete/flux_operator.py
@@ -1,7 +1,7 @@
 """Pure depletion operator
 
-This module implements a pure depletion operator that uses user- provided fluxes
-and one-group cross sections.
+This module implements a pure depletion operator that user-provided one-group
+cross sections.
 
 """
 
@@ -20,12 +20,84 @@ from openmc.mpi import comm
 from openmc.mgxs import EnergyGroups, ArbitraryXS, FissionXS
 from .abc import ReactionRateHelper, OperatorResult
 from .chain import REACTIONS
-from .openmc_operator import OpenMCOperator
+from .openmc_operator import OpenMCOperator, _distribute
+from .results import Results
 from .helpers import ChainFissionHelper, ConstantFissionYieldHelper, SourceRateHelper
 
 _valid_rxns = list(REACTIONS)
 _valid_rxns.append('fission')
 
+def generate_1g_cross_sections(model,
+                               reaction_domain,
+                               reactions=['(n,gamma)',
+                                          '(n,2n)',
+                                          '(n,p)',
+                                          '(n,a)',
+                                          '(n,3n)',
+                                          '(n,4n)',
+                                          'fission'],
+                               energy_bounds=(0, 20e6),
+                               write_to_csv=False,
+                               filename='micro_xs.csv'):
+    """Helper function to generate a one-group cross-section dataframe  using
+    OpenMC. Note that the ``openmc`` executable must be compiled.
+
+    Parameters
+    ----------
+    model : openmc.model.Model
+        OpenMC model object. Must contain geometry, materials, and settings.
+    reaction_domain : openmc.Material or openmc.Cell or openmc.Universe or openmc.RegularMesh
+        Domain in which to tally reaction rates.
+    reactions : list of str, optional
+        Reaction names to tally
+    energy_bound : 2-tuple of float, optional
+        Bounds for the energy group.
+    write_to_csv : bool, optional
+        Option to write the DataFrame to a `.csv` file.
+    filename : str
+        Name for csv file. Only applicable if ``write_to_csv == True``
+
+    Returns
+    -------
+    None or pandas.DataFrame
+
+    """
+    groups = EnergyGroups(energy_bounds)
+
+    # Set up the reaction tallies
+    original_tallies = model.tallies
+    tallies = openmc.Tallies()
+    xs = {}
+    for rxn in reactions:
+        if rxn == 'fission':
+            xs[rxn] = FissionXS(domain=reaction_domain, groups=groups, by_nuclide=True)
+        else:
+            xs[rxn] = ArbitraryXS(rxn, domain=reaction_domain, groups=groups, by_nuclide=True)
+        tallies += xs[rxn].tallies.values()
+
+    model.tallies = tallies
+    statepoint_path = model.run()
+
+    # Revert to the original tallies
+    model.tallies = old_tallies
+
+    with openmc.StatePoint(statepoint_path) as sp:
+        for rxn in xs:
+            xs[rxn].load_from_statepoint(sp)
+
+    # Build the DataFrame
+    micro_xs = pd.DataFrame()
+    for rxn in xs:
+        df = xs[rxn].get_pandas_dataframe(xs_type='micro')
+        df.index = df['nuclide']
+        df.drop(['nuclide', xs[rxn].domain_type, 'group in', 'std. dev.'], axis=1, inplace=True)
+        df.rename({'mean':rxn}, axis=1, inplace=True)
+        micro_xs = pd.concat([micro_xs, df], axis=1)
+
+    if write_to_csv:
+        micro_xs.to_csv(filename)
+
+    return micro_xs
 
 class FluxDepletionOperator(OpenMCOperator):
     """Depletion operator that uses one-group
@@ -50,14 +122,16 @@ class FluxDepletionOperator(OpenMCOperator):
        Default is None.
     prev_results : Results, optional
         Results from a previous depletion calculation.
-    normalization_mode : {"constant-power", "constant-flux"}
+    normalization_mode : {"fission-q", "source-rate"}
         Indicate how reaction rates should be calculated.
-        ``"constant-power"`` uses the fission Q values from the depletion chain to
-        compute the flux based on the power. ``"constant-flux"`` uses the value stored in `_normalization_helper` as the flux.
+        ``"fission-q"`` uses the fission Q values from the depletion chain to
+        compute the flux based on the power. ``"source-rate"`` uses a the
+        source rate (assumed to be neutron flux) to calculate the
+        reaction rates.
     fission_q : dict, optional
         Dictionary of nuclides and their fission Q values [eV]. If not given,
         values will be pulled from the ``chain_file``. Only applicable
-        if ``"normalization_mode" == "constant-power"``.
+        if ``"normalization_mode" == "fission-q"``.
     reduce_chain : bool, optional
         If True, use :meth:`openmc.deplete.Chain.reduce` to reduce the
         depletion chain up to ``reduce_chain_level``. Default is False.
@@ -104,14 +178,14 @@ class FluxDepletionOperator(OpenMCOperator):
         Results from a previous depletion calculation. ``None`` if no
         results are to be used.
 
-       """
+    """
 
     def __init__(self,
                  materials,
                  micro_xs,
                  chain_file,
                  keff=None,
-                 normalization_mode = 'constant-flux',
+                 normalization_mode='source-rate',
                  fission_q=None,
                  prev_results=None,
                  reduce_chain=False,
@@ -126,7 +200,8 @@ class FluxDepletionOperator(OpenMCOperator):
 
         self._keff = keff
 
-        helper_kwargs = dict()
+        if fission_yield_opts is None:
+            fission_yield_opts = {}
         helper_kwargs = {'normalization_mode': normalization_mode,
                          'fission_yield_opts': fission_yield_opts}
 
@@ -141,10 +216,11 @@ class FluxDepletionOperator(OpenMCOperator):
             reduce_chain_level=reduce_chain_level)
 
     @classmethod
-    def from_nuclides(cls, volume, nuclides, micro_xs,
+    def from_nuclides(cls, volume, nuclides, nuc_units,
+                      micro_xs,
                       chain_file,
                       keff=None,
-                      normalization_mode='constant-flux',
+                      normalization_mode='source-rate',
                       fission_q=None,
                       prev_results=None,
                       reduce_chain=False,
@@ -156,8 +232,10 @@ class FluxDepletionOperator(OpenMCOperator):
         volume : float
             Volume of the material being depleted in [cm^3]
         nuclides : dict of str to float
-            ,Dictionary with nuclide names as keys and nuclide concentrations as
-            values. Nuclide concentration units are [atom/cm^3].
+            Dictionary with nuclide names as keys and nuclide concentrations as
+            values.
+        nuc_units : {'atom/cm3', 'atom/b-cm'}
+            Units for nuclide concentration.
         micro_xs : pandas.DataFrame
             DataFrame with nuclides names as index and microscopic cross section
             data in the columns. Cross section units are [cm^-2].
@@ -166,15 +244,16 @@ class FluxDepletionOperator(OpenMCOperator):
         keff : 2-tuple of float, optional
            keff eigenvalue and uncertainty from transport calculation.
            Default is None.
-        normalization_mode : {"constant-power", "constant-flux"}
+        normalization_mode : {"fission-q", "source-rate"}
             Indicate how reaction rates should be calculated.
-            ``"constant-power"`` uses the fission Q values from the depletion
-            chain to compute the flux based on the power. ``"constant-flux"``
-            uses the value stored in `_normalization_helper` as the flux.
+            ``"fission-q"`` uses the fission Q values from the depletion
+            chain to compute the flux based on the power. ``"source-rate"`` uses
+            the source rate (assumed to be neutron flux) to calculate the
+            reaction rates.
         fission_q : dict, optional
             Dictionary of nuclides and their fission Q values [eV]. If not
             given, values will be pulled from the ``chain_file``. Only
-            applicable if ``"normalization_mode" == "constant-power"``.
+            applicable if ``"normalization_mode" == "fission-q"``.
         prev_results : Results, optional
             Results from a previous depletion calculation.
         reduce_chain : bool, optional
@@ -191,7 +270,7 @@ class FluxDepletionOperator(OpenMCOperator):
 
         """
         check_type('nuclides', nuclides, dict, str)
-        materials = cls._consolidate_nuclides_to_material(nuclides, volume)
+        materials = cls._consolidate_nuclides_to_material(nuclides, nuc_units, volume)
         return cls(materials,
                    micro_xs,
                    chain_file,
@@ -205,14 +284,20 @@ class FluxDepletionOperator(OpenMCOperator):
 
 
     @staticmethod
-    def _consolidate_nuclides_to_material(nuclides, volume):
+    def _consolidate_nuclides_to_material(nuclides, nuc_units, volume):
         """Puts nuclide list into an openmc.Materials object.
 
         """
         openmc.reset_auto_ids()
         mat = openmc.Material()
-        for nuc, conc in nuclides.items():
-            mat.add_nuclide(nuc, conc * 1e-24)  # convert to at/b-cm
+        if nuc_units == 'atom/b-cm':
+            for nuc, conc in nuclides.items():
+                mat.add_nuclide(nuc, conc)
+        elif nuc_units == 'atom/cm3':
+            for nuc, conc in nuclides.items():
+                mat.add_nuclide(nuc, conc * 1e-24)  # convert to at/b-cm
+        else:
+            raise ValueError(f"Unit '{nuc_units}' is invalid.")
 
         mat.volume = volume
         mat.depletable = True
@@ -273,13 +358,12 @@ class FluxDepletionOperator(OpenMCOperator):
             mat_index : int
                 Material index
 
-        """
+            """
             volume = self._op.number.get_mat_volume(mat_index)
-            densities = np.empty(np.shape(fission_rates))
-            for i_nuc in self.nuc_ind_map:
-                nuc = self.nuc_ind_map[i_nuc]
+            densities = np.empty_like(fission_rates)
+            for i_nuc, nuc in self.nuc_ind_map.items():
                 densities[i_nuc] = self._op.number.get_atom_density(mat_index, nuc)
-            fission_rates = fission_rates * volume * densities
+            fission_rates *= volume * densities
 
             super().update(fission_rates)
 
@@ -294,10 +378,6 @@ class FluxDepletionOperator(OpenMCOperator):
 
         Parameters
         ----------
-        n_nucs : int
-            Number of burnable nuclides tracked by :class:`openmc.deplete.Operator`
-        n_react : int
-            Number of reactions tracked by :class:`openmc.deplete.Operator`
         op : openmc.deplete.FluxDepletionOperator
             Reference to the object encapsulate _FluxDepletionRateHelper.
             We pass this so we don't have to duplicate the ``number`` object.
@@ -312,9 +392,9 @@ class FluxDepletionOperator(OpenMCOperator):
 
         """
 
-        def __init__(self, n_nuc, n_react, op):
-            super().__init__(n_nuc, n_react)
+        def __init__(self, op):
             rates = op.reaction_rates
+            super().__init__(rates.n_nuc, rates.n_react)
 
             self.nuc_ind_map = {ind: nuc for nuc, ind in rates.index_nuc.items()}
             self.rxn_ind_map = {ind: rxn for rxn, ind in rates.index_rx.items()}
@@ -349,7 +429,7 @@ class FluxDepletionOperator(OpenMCOperator):
             return self._results_cache
 
     def _get_helper_classes(self, helper_kwargs):
-        """Get helper classes for calculating reation rates and fission yields
+        """Get helper classes for calculating reaction rates and fission yields
 
         Parameters
         ----------
@@ -359,19 +439,16 @@ class FluxDepletionOperator(OpenMCOperator):
         """
 
         normalization_mode = helper_kwargs['normalization_mode']
-        fission_yield_opts = helper_kwargs.get('fission_yield_opts', {})
+        fission_yield_opts = helper_kwargs['fission_yield_opts']
 
-        self._rate_helper = self._FluxDepletionRateHelper(
-            self.reaction_rates.n_nuc, self.reaction_rates.n_react, self)
-        if normalization_mode == "constant-power":
+        self._rate_helper = self._FluxDepletionRateHelper(self)
+        if normalization_mode == "fission-q":
             self._normalization_helper = self._FluxDepletionNormalizationHelper(self)
         else:
             self._normalization_helper = SourceRateHelper()
 
         # Select and create fission yield helper
         fission_helper = ConstantFissionYieldHelper
-        if fission_yield_opts is None:
-            fission_yield_opts = {}
         self._yield_helper = fission_helper.from_operator(
             self, **fission_yield_opts)
 
@@ -395,7 +472,7 @@ class FluxDepletionOperator(OpenMCOperator):
         vec : list of numpy.ndarray
             Total atoms to be used in function.
         source_rate : float
-            Power in [W] or source rate in [neutron/sec]
+            Power in [W] or flux in [neut/s-cm^2]
 
         Returns
         -------
@@ -444,11 +521,11 @@ class FluxDepletionOperator(OpenMCOperator):
                                 print(f'WARNING: nuclide {nuc} in material'
                                       f'{mat} is negative (density = {val}'
 
-                                      ' at/barn-cm)')
+                                      ' atom/b-cm)')
                             number_i[mat, nuc] = 0.0
 
     @staticmethod
-    def create_micro_xs_from_data_array(nuclides, reactions, data, units='barn'):
+    def create_micro_xs_from_data_array(nuclides, reactions, data):
         """
         Creates a ``micro_xs`` parameter from a dictionary.
 
@@ -458,12 +535,10 @@ class FluxDepletionOperator(OpenMCOperator):
             List of nuclide symbols for that have data for at least one
             reaction.
         reactions : list of str
-            List of reactions. All reactions must match those in ``chain.REACTONS``
+            List of reactions. All reactions must match those in ``chain.REACTIONS``
         data : ndarray of floats
-            Array containing one-group microscopic cross section information for each
-            nuclide and reaction.
-        units : {'barn', 'cm^2'}, optional
-            Units of cross section values in ``data`` array. Defaults to ``barn``.
+            Array containing one-group microscopic cross section values, in
+            [barn], for each nuclide and reaction.
 
         Returns
         -------
@@ -483,8 +558,7 @@ class FluxDepletionOperator(OpenMCOperator):
             nuclides, reactions, data)
 
         # Convert to cm^2
-        if units == 'barn':
-            data *= 1e-24
+        data *= 1e-24
 
         return pd.DataFrame(index=nuclides, columns=reactions, data=data)
 
@@ -497,9 +571,7 @@ class FluxDepletionOperator(OpenMCOperator):
         ----------
         csv_file : str
             Relative path to csv-file containing microscopic cross section
-            data.
-        units : {'barn', 'cm^2'}, optional
-            Units of cross section values in the ``.csv`` file array. Defaults to ``barn``.
+            data. Cross section values should be in [barn].
 
         Returns
         -------
@@ -514,8 +586,7 @@ class FluxDepletionOperator(OpenMCOperator):
                                                         list(micro_xs.columns),
                                                         micro_xs.to_numpy())
 
-        if units == 'barn':
-            micro_xs *= 1e-24
+        micro_xs *= 1e-24
 
         return micro_xs
 
@@ -528,67 +599,3 @@ class FluxDepletionOperator(OpenMCOperator):
         for reaction in reactions:
             check_value('reactions', reaction, _valid_rxns)
 
-
-    @staticmethod
-    def generate_1g_cross_sections(model, reaction_domain, reactions=['(n,gamma)', '(n,2n)', '(n,p)', '(n,a)', '(n,3n)', '(n,4n)', 'fission'],  energy_bounds=(0, 20e6), write_to_csv=True, filename='micro_xs.csv'):
-        """Helper function to generate a one-group cross-section dataframe
-        using OpenMC. Note that the ``openmc`` C executable must be compiled.
-
-        Parameters
-        ----------
-        model : openmc.model.Model
-            OpenMC model object. Must contain geometry, materials, and settings.
-        reaction_domain : openmc.Material or openmc.Cell or openmc.Universe or openmc.RegularMesh
-            Domain in which to tally reaction rates.
-        reactions : list of str, optional
-            Reaction names to tally
-        energy_bound : 2-tuple of float, optional
-            Bounds for the energy group.
-        write_to_csv : bool, optional
-            Option to write the DataFrame to a `.csv` file. If `False`,
-            returns the dataframe object.
-        filename : str
-            Name for csv file. Only applicable if ``write_to_csv == True``
-
-        Returns
-        -------
-        None or pandas.DataFrame
-
-        """
-        groups = EnergyGroups()
-        groups.group_edges = np.array(list(energy_bounds))
-
-        # Set up the reaction tallies
-        tallies = openmc.Tallies()
-        xs = dict()
-        for rxn in reactions:
-            if rxn == 'fission':
-                xs[rxn] = FissionXS(domain=reaction_domain, groups=groups, by_nuclide=True)
-            else:
-                xs[rxn] = ArbitraryXS(rxn, domain=reaction_domain, groups=groups, by_nuclide=True)
-            tallies += xs[rxn].tallies.values()
-
-        model.tallies = tallies
-        statepoint_path = model.run()
-
-        sp = openmc.StatePoint(statepoint_path)
-
-        for rxn in xs:
-            xs[rxn].load_from_statepoint(sp)
-
-        sp.close()
-
-        # Build the DataFrame
-        micro_xs = pd.DataFrame()
-        for rxn in xs:
-            df = xs[rxn].get_pandas_dataframe(xs_type='micro')
-            df.index = df['nuclide']
-            df.drop(['nuclide', xs[rxn].domain_type, 'group in', 'std. dev.'], axis=1, inplace=True)
-            df.rename({'mean':rxn}, axis=1, inplace=True)
-            micro_xs = pd.concat([micro_xs, df], axis=1)
-
-        if write_to_csv:
-            micro_xs.to_csv(filename)
-            return None
-        else:
-            return micro_xs
diff --git a/openmc/deplete/helpers.py b/openmc/deplete/helpers.py
index 0aaa3b08a..7b863b69a 100644
--- a/openmc/deplete/helpers.py
+++ b/openmc/deplete/helpers.py
@@ -612,7 +612,7 @@ class FissionYieldCutoffHelper(TalliedFissionYieldHelper):
         Default: 0.0253 [eV]
     fast_energy : float, optional
         Energy of yield data corresponding to fast yields.
-        Default: 500 [kev]
+        Default: 500 [KeV]
 
     Attributes
     ----------
@@ -634,7 +634,7 @@ class FissionYieldCutoffHelper(TalliedFissionYieldHelper):
         Array of fission rate fractions with shape
         ``(n_mats, 2, n_nucs)``. ``results[:, 0]``
         corresponds to the fraction of all fissions
-        that occured below ``cutoff``. The number
+        that occurred below ``cutoff``. The number
         of materials in the first axis corresponds
         to the number of materials burned by the
         :class:`openmc.deplete.Operator`
@@ -790,7 +790,7 @@ class FissionYieldCutoffHelper(TalliedFissionYieldHelper):
 class AveragedFissionYieldHelper(TalliedFissionYieldHelper):
     r"""Class that computes fission yields based on average fission energy
 
-    Computes average energy at which fission events occured with
+    Computes average energy at which fission events occurred with
 
     .. math::
 
@@ -908,7 +908,7 @@ class AveragedFissionYieldHelper(TalliedFissionYieldHelper):
         Use the computed average energy of fission
         events to determine fission yields. If average
         energy is between two sets of yields, linearly
-        interpolate bewteen the two.
+        interpolate between the two.
         Otherwise take the closet set of yields.
 
         Parameters
diff --git a/openmc/deplete/integrators.py b/openmc/deplete/integrators.py
index c19ef076a..74a3cebdb 100644
--- a/openmc/deplete/integrators.py
+++ b/openmc/deplete/integrators.py
@@ -103,7 +103,7 @@ class CECMIntegrator(Integrator):
         op_results : list of openmc.deplete.OperatorResult
             Eigenvalue and reaction rates from transport simulations
         """
-        # deplete across first half of inteval
+        # deplete across first half of interval
         time0, x_middle = self._timed_deplete(conc, rates, dt / 2)
         res_middle = self.operator(x_middle, source_rate)
 
diff --git a/openmc/deplete/openmc_operator.py b/openmc/deplete/openmc_operator.py
index aafa1adf9..7c0bb6678 100644
--- a/openmc/deplete/openmc_operator.py
+++ b/openmc/deplete/openmc_operator.py
@@ -90,7 +90,6 @@ class OpenMCOperator(TransportOperator):
     cross_sections : str or pandas.DataFrame
             Path to continuous energy cross section library, or object
             containing one-group cross-sections.
-
     dilute_initial : float
         Initial atom density [atoms/cm^3] to add for nuclides that
         are zero in initial condition to ensure they exist in the decay
@@ -527,7 +526,9 @@ class OpenMCOperator(TransportOperator):
 
             # Accumulate energy from fission
             if fission_ind is not None:
-                self._normalization_helper.update(tally_rates[:, fission_ind], mat_index=mat_index)
+                self._normalization_helper.update(
+                    tally_rates[:, fission_ind],
+                    mat_index=mat_index)
 
             # Divide by total number and store
             rates[i] = self._rate_helper.divide_by_adens(number)
diff --git a/openmc/deplete/operator.py b/openmc/deplete/operator.py
index 61573832c..db4e80b19 100644
--- a/openmc/deplete/operator.py
+++ b/openmc/deplete/operator.py
@@ -225,7 +225,10 @@ class Operator(OpenMCOperator):
 
         self.cleanup_when_done = True
 
-        helper_kwargs = dict()
+        if reaction_rate_opts is None:
+                reaction_rate_opts = {}
+        if fission_yield_opts is None:
+            fission_yield_opts = {}
         helper_kwargs = {
             'reaction_rate_mode': reaction_rate_mode,
             'normalization_mode': normalization_mode,
@@ -329,17 +332,14 @@ class Operator(OpenMCOperator):
         reaction_rate_mode = helper_kwargs['reaction_rate_mode']
         normalization_mode = helper_kwargs['normalization_mode']
         fission_yield_mode = helper_kwargs['fission_yield_mode']
-        reaction_rate_opts = helper_kwargs.get('reaction_rate_opts', {})
-        fission_yield_opts = helper_kwargs.get('fission_yield_opts', {})
+        reaction_rate_opts = helper_kwargs['reaction_rate_opts']
+        fission_yield_opts = helper_kwargs['fission_yield_opts']
 
         # Get classes to assist working with tallies
         if reaction_rate_mode == "direct":
             self._rate_helper = DirectReactionRateHelper(
                 self.reaction_rates.n_nuc, self.reaction_rates.n_react)
         elif reaction_rate_mode == "flux":
-            if reaction_rate_opts is None:
-                reaction_rate_opts = {}
-
             # Ensure energy group boundaries were specified
             if 'energies' not in reaction_rate_opts:
                 raise ValueError(
@@ -365,8 +365,6 @@ class Operator(OpenMCOperator):
 
         # Select and create fission yield helper
         fission_helper = self._fission_helpers[fission_yield_mode]
-        if fission_yield_opts is None:
-            fission_yield_opts = {}
         self._yield_helper = fission_helper.from_operator(
             self, **fission_yield_opts)
 
@@ -489,7 +487,7 @@ class Operator(OpenMCOperator):
                                 print(f'WARNING: nuclide {nuc} in material'
                                       f'{mat} is negative (density = {val}'
 
-                                      ' at/barn-cm)')
+                                      ' atom/b-cm)')
 
                                 number_i[mat, nuc] = 0.0
 
diff --git a/tests/regression_tests/deplete_no_transport/test.py b/tests/regression_tests/deplete_no_transport/test.py
index 9ae0f84f4..38d4aaf2e 100644
--- a/tests/regression_tests/deplete_no_transport/test.py
+++ b/tests/regression_tests/deplete_no_transport/test.py
@@ -3,8 +3,8 @@
 from math import floor
 import shutil
 from pathlib import Path
-
 from difflib import unified_diff
+
 import numpy as np
 import pytest
 import openmc
@@ -12,7 +12,6 @@ from openmc.data import JOULE_PER_EV
 import openmc.deplete
 from openmc.deplete import FluxDepletionOperator
 
-
 from tests.regression_tests import config
 
 
@@ -22,7 +21,7 @@ def fuel():
     fuel.add_element("U", 1, percent_type="ao", enrichment=4.25)
     fuel.add_element("O", 2)
     fuel.set_density("g/cc", 10.4)
-    fuel.depletable=True
+    fuel.depletable = True
 
     fuel.volume = np.pi * 0.42 ** 2
 
@@ -30,14 +29,14 @@ def fuel():
 
 
 @pytest.mark.parametrize("multiproc, from_nuclides, normalization_mode, power, flux", [
-    (True, True,'constant-flux', None, 1164719970082145.0),
-    (False, True, 'constant-flux', None, 1164719970082145.0),
-    (True, True, 'constant-power', 174, None),
-    (False, True, 'constant-power', 174, None),
-    (True, False,'constant-flux', None, 1164719970082145.0),
-    (False, False, 'constant-flux', None, 1164719970082145.0),
-    (True, False, 'constant-power', 174, None),
-    (False, False, 'constant-power', 174, None)])
+    (True, True,'source-rate', None, 1164719970082145.0),
+    (False, True, 'source-rate', None, 1164719970082145.0),
+    (True, True, 'fission-q', 174, None),
+    (False, True, 'fission-q', 174, None),
+    (True, False,'source-rate', None, 1164719970082145.0),
+    (False, False, 'source-rate', None, 1164719970082145.0),
+    (True, False, 'fission-q', 174, None),
+    (False, False, 'fission-q', 174, None)])
 def test_no_transport_from_nuclides(run_in_tmpdir, fuel, multiproc, from_nuclides, normalization_mode, power, flux):
     """Transport free system test suite.
 
@@ -53,10 +52,10 @@ def test_no_transport_from_nuclides(run_in_tmpdir, fuel, multiproc, from_nuclide
     if from_nuclides:
         nuclides = {}
         for nuc, dens in fuel.get_nuclide_atom_densities().items():
-            nuclides[nuc] = dens * 1e24
+            nuclides[nuc] = dens
 
         op = FluxDepletionOperator.from_nuclides(
-            fuel.volume, nuclides, micro_xs, chain_file, normalization_mode=normalization_mode)
+            fuel.volume, nuclides,'atom/b-cm', micro_xs, chain_file, normalization_mode=normalization_mode)
 
     else:
         op = FluxDepletionOperator(openmc.Materials([fuel]), micro_xs, chain_file, normalization_mode=normalization_mode)
@@ -67,14 +66,14 @@ def test_no_transport_from_nuclides(run_in_tmpdir, fuel, multiproc, from_nuclide
     # Perform simulation using the predictor algorithm
     openmc.deplete.pool.USE_MULTIPROCESSING = multiproc
     openmc.deplete.PredictorIntegrator(
-        op, dt, power=power, flux=flux, timestep_units='d').integrate()
+        op, dt, power=power, source_rates=flux, timestep_units='d').integrate()
 
     # Get path to test and reference results
     path_test = op.output_dir / 'depletion_results.h5'
     if flux is not None:
-        ref_path = 'test_reference_constant_flux.h5'
+        ref_path = 'test_reference_source_rate.h5'
     else:
-        ref_path = 'test_reference_constant_power.h5'
+        ref_path = 'test_reference_fission_q.h5'
     path_reference = Path(__file__).with_name(ref_path)
 
     # Load the reference/test results
diff --git a/tests/regression_tests/deplete_no_transport/test_reference_constant_power.h5 b/tests/regression_tests/deplete_no_transport/test_reference_fission_q.h5
similarity index 99%
rename from tests/regression_tests/deplete_no_transport/test_reference_constant_power.h5
rename to tests/regression_tests/deplete_no_transport/test_reference_fission_q.h5
index c6e1a40808c135aafe1065b2cc95357c3fede0a2..6c1b3de849e1a8792b9ce9398c7e2e41ae410b5e 100644
GIT binary patch
delta 195
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zC_}0qIZXkuH$zBTm13<Y(L=d#zv~~JJwyp>17m5@ghV(jJx%GE)j5EL0c^iFUp>2-
xffA~M!#OE`I{yLRG(K~X!@6#6i8<jT|K5!+@I3$k0F#r75tB@d7zCi6v_C4$R?GkZ

delta 195
zcmaDcjp@ZSrVSZg8c&#=j@TTiu?!9U^^wcvu%-7SjUQ^R&nzP>bXv~IbXv-<inyve
zA;NO<gf5->2A#e3j8DX_-aLQBZdIMygbzjc?Tl_5w39Y6vgdQWX@7{t%6>_Ql5>{M
zM!Sp4@}-uy9=5xcmArDD`bFoxhwbgm|Ju522o5;9;A)GD>qK^oDIr%a??D|92z7uv
b)B(Xz2gpDjz`(#Td2*NFWS?#c7LYpt(gRg~

diff --git a/tests/regression_tests/deplete_no_transport/test_reference_constant_flux.h5 b/tests/regression_tests/deplete_no_transport/test_reference_source_rate.h5
similarity index 100%
rename from tests/regression_tests/deplete_no_transport/test_reference_constant_flux.h5
rename to tests/regression_tests/deplete_no_transport/test_reference_source_rate.h5
diff --git a/tests/unit_tests/test_deplete_flux_operator.py b/tests/unit_tests/test_deplete_flux_operator.py
index 9019d123d..8f17538ed 100644
--- a/tests/unit_tests/test_deplete_flux_operator.py
+++ b/tests/unit_tests/test_deplete_flux_operator.py
@@ -71,7 +71,7 @@ def test_operator_init():
                 'O17': 1.7588724018066158e+19}
     micro_xs = FluxDepletionOperator.create_micro_xs_from_csv(ONE_GROUP_XS)
     nuclide_flux_operator = FluxDepletionOperator.from_nuclides(
-        volume, nuclides, micro_xs, CHAIN_PATH)
+        volume, nuclides, 'atom/cm3', micro_xs, CHAIN_PATH)
 
     fuel = Material(name="uo2")
     fuel.add_element("U", 1, percent_type="ao", enrichment=4.25)

From 9ae0c6bd55e045681b1cef213fd6081f9b694534 Mon Sep 17 00:00:00 2001
From: Olek <45364492+yardasol@users.noreply.github.com>
Date: Thu, 28 Jul 2022 08:50:48 -0500
Subject: [PATCH 0689/2654] add `add_elements`

Co-authored-by: Jonathan Shimwell <drshimwell@gmail.com>
---
 openmc/material.py | 12 ++++++++++++
 1 file changed, 12 insertions(+)

diff --git a/openmc/material.py b/openmc/material.py
index cd181539c..40b495883 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -417,6 +417,18 @@ class Material(IDManagerMixin):
         for nuclide, (percent, percent_type) in nuclides.items():
                 self.add_nuclide(nuclide, percent, percent_type)
 
+    def add_elements(self, elements: dict):
+        """ Add multiple elements to a material
+
+        Parameters
+        ----------
+        elements : dict of str to tuple
+            Dictionary mapping element names to a tuple containing their
+            atom or weight percent.
+        """
+
+        for element, (percent, percent_type) in elements.items():
+                self.add_element(element, percent, percent_type)
     def remove_nuclide(self, nuclide: str):
         """Remove a nuclide from the material
 

From 3374ec12f5a305e83b4d853208bd1912be03c6b5 Mon Sep 17 00:00:00 2001
From: Lewis Gross <43077972+lewisgross1296@users.noreply.github.com>
Date: Thu, 28 Jul 2022 09:39:56 -0500
Subject: [PATCH 0690/2654] Update src/mesh.cpp

grammar

Co-authored-by: Patrick Shriwise <pshriwise@gmail.com>
---
 src/mesh.cpp | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/src/mesh.cpp b/src/mesh.cpp
index dfa443b7f..a8d57eef1 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -2369,7 +2369,7 @@ void LibMesh::initialize()
     libMesh::MeshTools::Modification::scale(*m_, length_multiplier_);
   }
   // if OpenMC is managing the libMesh::MeshBase instance, prepare the mesh.
-  // Otherwise assume that it is prepared by it's owning application
+  // Otherwise assume that it is prepared by its owning application
   if (unique_m_) {
     m_->prepare_for_use();
   }

From 623658870d3a51320465aabed254acd64c7671f6 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Thu, 28 Jul 2022 10:58:08 -0500
Subject: [PATCH 0691/2654] merged add_nuclides and add_elements into one
 function

---
 openmc/material.py                | 45 ++++++++++++++----------
 tests/unit_tests/test_material.py | 57 +++++++++++++++++--------------
 2 files changed, 59 insertions(+), 43 deletions(-)

diff --git a/openmc/material.py b/openmc/material.py
index 40b495883..1463c7fa1 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -403,32 +403,41 @@ class Material(IDManagerMixin):
 
         self._nuclides.append(NuclideTuple(nuclide, percent, percent_type))
 
-    def add_nuclides(self, nuclides: dict):
-        """ Add multiple nuclides to a material
+    def add_elements_or_nuclides(self, components: dict):
+        """ Add multiple elements or nuclides to a material
 
         Parameters
         ----------
-        nuclides : dict of str to tuple
-            Dictionary mapping nuclide names to a tuple containing their
-            atom or weight percent.
+        components : dict of str to tuple
+            Dictionary mapping element or nuclide names to a tuple containing
+            their atom or weight percent, as well as any other arguments.
+
+        Examples
+        --------
+        >> mat = openmc.Material()
+        >> components  = {'Li': (1.0, {'enrichment': 60.0, 'enrichment_target': 'Li7'}),
+                          'Fl': 1.0,
+                          'Be6': (0.5, 'wo')}
+        >> mat.add_elements_or_nuclides(components)
 
         """
 
-        for nuclide, (percent, percent_type) in nuclides.items():
-                self.add_nuclide(nuclide, percent, percent_type)
+        for component, args in components.items():
+            cv.check_type('component', component, str)
+            percent_type = 'ao'
+            if isinstance(args, float):
+                args = (args,)
 
-    def add_elements(self, elements: dict):
-        """ Add multiple elements to a material
+            ## check if nuclide
+            if str.isdigit(component[-1]):
+                self.add_nuclide(component, *args)
+            else: # is element
+                kwargs = {}
+                if isinstance(args[-1], dict):
+                    kwargs = args[-1]
+                    args = args[:-1]
+                self.add_element(component, *args, **kwargs)
 
-        Parameters
-        ----------
-        elements : dict of str to tuple
-            Dictionary mapping element names to a tuple containing their
-            atom or weight percent.
-        """
-
-        for element, (percent, percent_type) in elements.items():
-                self.add_element(element, percent, percent_type)
     def remove_nuclide(self, nuclide: str):
         """Remove a nuclide from the material
 
diff --git a/tests/unit_tests/test_material.py b/tests/unit_tests/test_material.py
index 8dde30485..69ca87f2e 100644
--- a/tests/unit_tests/test_material.py
+++ b/tests/unit_tests/test_material.py
@@ -25,31 +25,39 @@ def test_add_nuclide():
     with pytest.raises(ValueError):
         m.add_nuclide('H1', 1.0, 'oa')
 
-def test_add_nuclides():
-    """Test adding multipe nuclides at once"""
+def test_add_elements_or_nuclides():
+    """Test adding multipe elements or nuclides at once"""
     m = openmc.Material()
-    nuclides = {'H1': (2.0, 'ao'),
-                'O16': (1.0, 'wo')}
-    m.add_nuclides(nuclides)
-
-    # wt-%
-    m = openmc.Material()
-    nuclides = {'H1': (2.0, 'wo'),
-                'O16': (1.0, 'wo')}
-    m.add_nuclides(nuclides)
-
-    # mixed
-    m = openmc.Material()
-    nuclides = {'H1': (2.0, 'ao'),
-                'O16': (1.0, 'wo')}
-    m.add_nuclides(nuclides)
-
-    with pytest.raises(TypeError):
-        m.add_nuclides({'H1': ('1.0', 'ao')})
-    with pytest.raises(TypeError):
-        m.add_nuclides({1.0: ('H1', 'wo')})
+    components = {'H1': 2.0,
+                'O16': (1.0, 'wo'),
+                'Zr': 1.0,
+                'O': (1.0, 'wo'),
+                'U': (1.0, {'enrichment': 4.5}),
+                'Li': (1.0, 'ao', {'enrichment': 60.0, 'enrichment_target': 'Li7'}),
+                'H': (1.0, 'ao', {'enrichment': 50.0, 'enrichment_target': 'H2', 'enrichment_type': 'wo'})}
+    m.add_elements_or_nuclides(components)
     with pytest.raises(ValueError):
-        m.add_nuclides({'H1': (1.0, 'oa')})
+        m.add_elements_or_nuclides({'U': (1.0, 'ao', {'enrichment': 100.0})})
+    with pytest.raises(ValueError):
+        m.add_elements_or_nuclides({'Pu': (1.0, 'ao', {'enrichment': 3.0})})
+    with pytest.raises(ValueError):
+        m.add_elements_or_nuclides({'U': (1.0, 'ao', {'enrichment': 70.0, 'enrichment_target': 'U235'})})
+    with pytest.raises(ValueError):
+        m.add_elements_or_nuclides({'He': (1.0, 'ao', {'enrichment': 17.0, 'enrichment_target': 'He6'})})
+    with pytest.raises(ValueError):
+        m.add_elements_or_nuclides({'li': (1.0, 'ao')})  # should fail as 1st char is lowercase
+    with pytest.raises(ValueError):
+        m.add_elements_or_nuclides({'LI': (1.0, 'ao')})  # should fail as 2nd char is uppercase
+    with pytest.raises(ValueError):
+        m.add_elements_or_nuclides({'Xx': (1.0, 'ao')})  # should fail as Xx is not an element
+    with pytest.raises(ValueError):
+        m.add_elements_or_nuclides({'n': (1.0, 'ao')})  # check to avoid n for neutron being accepted
+    with pytest.raises(TypeError):
+        m.add_elements_or_nuclides({'H1': ('1.0', 'ao')})
+    with pytest.raises(TypeError):
+        m.add_elements_or_nuclides({1.0: ('H1', 'wo')})
+    with pytest.raises(ValueError):
+        m.add_elements_or_nuclides({'H1': (1.0, 'oa')})
 
 
 def test_remove_nuclide():
@@ -75,7 +83,7 @@ def test_remove_elements():
     assert m.nuclides[0].percent == 1.0
 
 
-def test_elements():
+def test_add_element():
     """Test adding elements."""
     m = openmc.Material()
     m.add_element('Zr', 1.0)
@@ -100,7 +108,6 @@ def test_elements():
     with pytest.raises(ValueError):
         m.add_element('n', 1.0)  # check to avoid n for neutron being accepted
 
-
 def test_elements_by_name():
     """Test adding elements by name"""
     m = openmc.Material()

From 8a5df89ea5c899579deaa806f151519db2472aef Mon Sep 17 00:00:00 2001
From: myerspat <myerspat@umich.edu>
Date: Thu, 28 Jul 2022 12:22:28 -0500
Subject: [PATCH 0692/2654] enforced precedence if intersections proceed unions
 without parenthesis

---
 include/openmc/cell.h |   2 +
 src/cell.cpp          | 135 +++++++++++++++++++++++++++++++++---------
 src/geometry_aux.cpp  |   2 +-
 src/universe.cpp      |   4 +-
 4 files changed, 111 insertions(+), 32 deletions(-)

diff --git a/include/openmc/cell.h b/include/openmc/cell.h
index 887901707..e812fc88f 100644
--- a/include/openmc/cell.h
+++ b/include/openmc/cell.h
@@ -202,6 +202,8 @@ public:
 
   //! Definition of spatial region as Boolean expression of half-spaces
   vector<std::int32_t> region_;
+  //! Revised infix notation with no complements
+  vector<std::int32_t> region_no_complements_;
   bool simple_; //!< Does the region contain only intersections?
 
   //! \brief Neighboring cells in the same universe.
diff --git a/src/cell.cpp b/src/cell.cpp
index 943722f35..633cf1bc0 100644
--- a/src/cell.cpp
+++ b/src/cell.cpp
@@ -107,6 +107,66 @@ vector<int32_t> tokenize(const std::string region_spec)
   return tokens;
 }
 
+
+//==============================================================================
+//! Add precedence for infix cell finding so intersections have higher 
+//! precedence than unions using parenthesis.
+//==============================================================================
+
+std::vector<int32_t>::iterator
+add_parenthesis(std::vector<int32_t>::iterator start,
+                std::vector<int32_t> &infix) {
+  // Add left parenthesis
+  start = infix.insert(start, OP_LEFT_PAREN);
+  start = start + 2;
+
+  // Initialize return iterator
+  std::vector<int32_t>::iterator return_iterator = infix.end() - 1;
+
+  // Add right parenthesis
+  // While the start iterator is within the bounds of infix
+  while (start < infix.end()) {
+    start++;
+
+    // If we find a union or right parenthesis not wrapped by
+    // left and right parenthesis then place a right parenthesis,
+    // If we find a wrapped region return an iterator pointing to
+    // that wrapped region and continue looking to place a 
+    // right parenthesis
+    if (*start == OP_UNION || *start == OP_RIGHT_PAREN) {
+      start = infix.insert(start, OP_RIGHT_PAREN);
+      return start - 1;
+
+    } else if (*start == OP_LEFT_PAREN) {
+      return_iterator = start;
+      start = std::find(start, infix.end(), OP_RIGHT_PAREN);
+    }
+  }
+
+  // If we get here a right parenthesis hasn't been placed,
+  // return iterator
+  infix.push_back(OP_RIGHT_PAREN);
+  return return_iterator;
+}
+
+void add_precedence(std::vector<int32_t> &infix) {
+  int32_t current_op = 0;
+
+  for (auto it = infix.begin(); it != infix.end(); it++) {
+    int32_t token = *it;
+
+    if (token == OP_UNION && current_op == 0) {
+      current_op = OP_UNION;
+
+    } else if (current_op == OP_UNION && token == OP_INTERSECTION) {
+      it = add_parenthesis(it - 1, infix);
+
+    } else if (token > OP_COMPLEMENT) {
+      current_op = 0;
+    }
+  }
+}
+
 //==============================================================================
 //! Convert infix region specification to Reverse Polish Notation (RPN)
 //!
@@ -498,9 +558,7 @@ CSGCell::CSGCell(pugi::xml_node cell_node)
   }
 
   // Get a tokenized representation of the region specification
-  // and apply De Morgan's laws to remove complements.
   region_ = tokenize(region_spec);
-  remove_complement_ops(region_);
   region_.shrink_to_fit();
 
   // Convert user IDs to surface indices.
@@ -516,9 +574,13 @@ CSGCell::CSGCell(pugi::xml_node cell_node)
     }
   }
 
+  // Remove complement operators using De Morgan's law
+  region_no_complements_ = region_;
+  remove_complement_ops(region_no_complements_);
+
   // Check if this is a simple cell.
   simple_ = true;
-  for (int32_t token : region_) {
+  for (int32_t token : region_no_complements_) {
     if (token == OP_UNION) {
       simple_ = false;
       break;
@@ -527,13 +589,17 @@ CSGCell::CSGCell(pugi::xml_node cell_node)
 
   // If this cell is simple, remove all the superfluous operator tokens.
   if (simple_) {
-    for (auto it = region_.begin(); it != region_.end(); it++) {
+    for (auto it = region_no_complements_.begin();
+         it != region_no_complements_.end(); it++) {
       if (*it == OP_INTERSECTION || *it > OP_COMPLEMENT) {
-        region_.erase(it);
+        region_no_complements_.erase(it);
       }
     }
+  } else {
+    // Ensure intersections have precedence over unions
+    add_precedence(region_no_complements_);
   }
-  region_.shrink_to_fit();
+  region_no_complements_.shrink_to_fit();
 
   // Read the translation vector.
   if (check_for_node(cell_node, "translation")) {
@@ -577,7 +643,7 @@ std::pair<double, int32_t> CSGCell::distance(
   double min_dist {INFTY};
   int32_t i_surf {std::numeric_limits<int32_t>::max()};
 
-  for (int32_t token : region_) {
+  for (int32_t token : region_no_complements_) {
     // Ignore this token if it corresponds to an operator rather than a region.
     if (token >= OP_UNION)
       continue;
@@ -632,7 +698,7 @@ void CSGCell::to_hdf5_inner(hid_t group_id) const
 BoundingBox CSGCell::bounding_box_simple() const
 {
   BoundingBox bbox;
-  for (int32_t token : region_) {
+  for (int32_t token : region_no_complements_) {
     bbox &= model::surfaces[abs(token) - 1]->bounding_box(token > 0);
   }
   return bbox;
@@ -735,14 +801,15 @@ BoundingBox CSGCell::bounding_box_complex(vector<int32_t> rpn)
 
 BoundingBox CSGCell::bounding_box() const
 {
-  return simple_ ? bounding_box_simple() : bounding_box_complex(region_);
+  return simple_ ? bounding_box_simple()
+                 : bounding_box_complex(region_no_complements_);
 }
 
 //==============================================================================
 
 bool CSGCell::contains_simple(Position r, Direction u, int32_t on_surface) const
 {
-  for (int32_t token : region_) {
+  for (int32_t token : region_no_complements_) {
     // Assume that no tokens are operators. Evaluate the sense of particle with
     // respect to the surface and see if the token matches the sense. If the
     // particle's surface attribute is set and matches the token, that
@@ -767,13 +834,14 @@ bool CSGCell::contains_complex(
   Position r, Direction u, int32_t on_surface) const
 {
   bool in_cell = true;
-  
+
   // For each token
-  for (auto it = region_.begin(); it != region_.end(); it++) {
+  for (auto it = region_no_complements_.begin();
+       it != region_no_complements_.end(); it++) {
     int32_t token = *it;
 
     // If the token is a surface evaluate the sense
-    // If the token is a union or intersection check to 
+    // If the token is a union or intersection check to
     // short circuit
     if (token < OP_UNION) {
       if (token == on_surface) {
@@ -794,14 +862,21 @@ bool CSGCell::contains_complex(
         int32_t next_token = *it;
 
         // If the next token is a left parenthesis skip until
-        // the next right parenthesis, if the token is a right 
-        // parenthesis leave short circuiting
-        if (next_token == OP_LEFT_PAREN) {
-          it = std::find(it, region_.end() - 1, OP_RIGHT_PAREN);
-        } else if (next_token == OP_RIGHT_PAREN) {
-          break;
+        // the next right parenthesis, if the token is a right
+        // parenthesis leave short circuiting, if we go from 
+        // intersections to union operators without parenthesis
+        // break shortc circuiting one behind the union
+        if (next_token >= OP_UNION) {
+          if (next_token == OP_LEFT_PAREN) {
+            it = std::find(it, region_no_complements_.end() - 1, OP_RIGHT_PAREN);
+          } else if (token == OP_RIGHT_PAREN) {
+            break;
+          } else if (token - next_token == 1) {
+            it--;
+            break;
+          } 
         }
-      } while (it < region_.end() - 1);
+      } while (it < region_no_complements_.end() - 1);
     }
   }
   return in_cell;
@@ -1108,7 +1183,8 @@ struct ParentCellStack {
 };
 
 vector<ParentCell> Cell::find_parent_cells(
-  int32_t instance, const Position& r) const {
+  int32_t instance, const Position& r) const
+{
 
   // create a temporary particle
   Particle dummy_particle {};
@@ -1118,8 +1194,8 @@ vector<ParentCell> Cell::find_parent_cells(
   return find_parent_cells(instance, dummy_particle);
 }
 
-vector<ParentCell> Cell::find_parent_cells(
-  int32_t instance, Particle& p) const {
+vector<ParentCell> Cell::find_parent_cells(int32_t instance, Particle& p) const
+{
   // look up the particle's location
   exhaustive_find_cell(p);
   const auto& coords = p.coord();
@@ -1130,7 +1206,8 @@ vector<ParentCell> Cell::find_parent_cells(
   for (auto it = coords.begin(); it != coords.end(); it++) {
     const auto& coord = *it;
     const auto& cell = model::cells[coord.cell];
-    // if the cell at this level matches the current cell, stop adding to the stack
+    // if the cell at this level matches the current cell, stop adding to the
+    // stack
     if (coord.cell == model::cell_map[this->id_]) {
       cell_found = true;
       break;
@@ -1141,7 +1218,8 @@ vector<ParentCell> Cell::find_parent_cells(
     int lattice_idx = C_NONE;
     if (cell->type_ == Fill::LATTICE) {
       const auto& next_coord = *(it + 1);
-      lattice_idx = model::lattices[next_coord.lattice]->get_flat_index(next_coord.lattice_i);
+      lattice_idx = model::lattices[next_coord.lattice]->get_flat_index(
+        next_coord.lattice_i);
     }
     stack.push(coord.universe, {coord.cell, lattice_idx});
   }
@@ -1149,7 +1227,8 @@ vector<ParentCell> Cell::find_parent_cells(
   // if this loop finished because the cell was found and
   // the instance matches the one requested in the call
   // we have the correct path and can return the stack
-  if (cell_found && stack.compute_instance(this->distribcell_index_) == instance) {
+  if (cell_found &&
+      stack.compute_instance(this->distribcell_index_) == instance) {
     return stack.parent_cells();
   }
 
@@ -1157,9 +1236,7 @@ vector<ParentCell> Cell::find_parent_cells(
   return exhaustive_find_parent_cells(instance);
 }
 
-
-vector<ParentCell> Cell::exhaustive_find_parent_cells(
-  int32_t instance) const
+vector<ParentCell> Cell::exhaustive_find_parent_cells(int32_t instance) const
 {
   ParentCellStack stack;
   // start with this cell's universe
diff --git a/src/geometry_aux.cpp b/src/geometry_aux.cpp
index c3458d469..881af15b7 100644
--- a/src/geometry_aux.cpp
+++ b/src/geometry_aux.cpp
@@ -154,7 +154,7 @@ void partition_universes()
       // Collect the set of surfaces in this universe.
       std::unordered_set<int32_t> surf_inds;
       for (auto i_cell : univ->cells_) {
-        for (auto token : model::cells[i_cell]->region_) {
+        for (auto token : model::cells[i_cell]->region_no_complements_) {
           if (token < OP_UNION)
             surf_inds.insert(std::abs(token) - 1);
         }
diff --git a/src/universe.cpp b/src/universe.cpp
index 873d03bb7..dc6f751c2 100644
--- a/src/universe.cpp
+++ b/src/universe.cpp
@@ -98,7 +98,7 @@ UniversePartitioner::UniversePartitioner(const Universe& univ)
   // Find all of the z-planes in this universe.  A set is used here for the
   // O(log(n)) insertions that will ensure entries are not repeated.
   for (auto i_cell : univ.cells_) {
-    for (auto token : model::cells[i_cell]->region_) {
+    for (auto token : model::cells[i_cell]->region_no_complements_) {
       if (token < OP_UNION) {
         auto i_surf = std::abs(token) - 1;
         const auto* surf = model::surfaces[i_surf].get();
@@ -125,7 +125,7 @@ UniversePartitioner::UniversePartitioner(const Universe& univ)
     // Find the tokens for bounding z-planes.
     int32_t lower_token = 0, upper_token = 0;
     double min_z, max_z;
-    for (auto token : model::cells[i_cell]->region_) {
+    for (auto token : model::cells[i_cell]->region_no_complements_) {
       if (token < OP_UNION) {
         const auto* surf = model::surfaces[std::abs(token) - 1].get();
         if (const auto* zplane = dynamic_cast<const SurfaceZPlane*>(surf)) {

From 9317724a5ba3ff2b6a8ea15eb34a1e3628828c41 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Thu, 28 Jul 2022 16:03:42 -0500
Subject: [PATCH 0693/2654] fix examples formatting

---
 openmc/material.py | 10 +++++-----
 1 file changed, 5 insertions(+), 5 deletions(-)

diff --git a/openmc/material.py b/openmc/material.py
index 1463c7fa1..8fee0585c 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -414,11 +414,11 @@ class Material(IDManagerMixin):
 
         Examples
         --------
-        >> mat = openmc.Material()
-        >> components  = {'Li': (1.0, {'enrichment': 60.0, 'enrichment_target': 'Li7'}),
-                          'Fl': 1.0,
-                          'Be6': (0.5, 'wo')}
-        >> mat.add_elements_or_nuclides(components)
+        >>> mat = openmc.Material()
+        >>> components  = {'Li': (1.0, {'enrichment': 60.0, 'enrichment_target': 'Li7'}),
+        >>>               'Fl': 1.0,
+        >>>               'Be6': (0.5, 'wo')}
+        >>> mat.add_elements_or_nuclides(components)
 
         """
 

From 6351b49ea2acf13f90914ef756c6fbf89a296d0a Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Thu, 28 Jul 2022 16:06:19 -0500
Subject: [PATCH 0694/2654] add reference to add_elements_or_nuclides in the
 docstring for Material

---
 openmc/material.py | 4 +++-
 1 file changed, 3 insertions(+), 1 deletion(-)

diff --git a/openmc/material.py b/openmc/material.py
index 8fee0585c..14bec12f3 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -34,7 +34,9 @@ class Material(IDManagerMixin):
     To create a material, one should create an instance of this class, add
     nuclides or elements with :meth:`Material.add_nuclide` or
     :meth:`Material.add_element`, respectively, and set the total material
-    density with :meth:`Material.set_density()`. The material can then be
+    density with :meth:`Material.set_density()`. Alternatively, you can
+    use :meth:`Material.add_elements_or_nuclides()` to pass a dictionary
+    containing all the component information. The material can then be
     assigned to a cell using the :attr:`Cell.fill` attribute.
 
     Parameters

From b2fed3c3cec856b85f7fb75aa8f4a20e1e974a84 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 28 Jul 2022 17:06:13 -0500
Subject: [PATCH 0695/2654] Fix bugs in Discrete, Tabular, and Mixture sample
 methods

---
 openmc/stats/univariate.py | 17 ++++++++++-------
 1 file changed, 10 insertions(+), 7 deletions(-)

diff --git a/openmc/stats/univariate.py b/openmc/stats/univariate.py
index 66c6e5f06..c19f45365 100644
--- a/openmc/stats/univariate.py
+++ b/openmc/stats/univariate.py
@@ -139,7 +139,8 @@ class Discrete(Univariate):
 
     def sample(self, n_samples=1, seed=None):
         np.random.seed(seed)
-        return np.random.choice(self.x, n_samples, p=self.p)
+        p = self.p / self.p.sum()
+        return np.random.choice(self.x, n_samples, p=p)
 
     def normalize(self):
         """Normalize the probabilities stored on the distribution"""
@@ -944,10 +945,11 @@ class Tabular(Univariate):
                                       'linear-linear interpolation')
         np.random.seed(seed)
         xi = np.random.rand(n_samples)
-        cdf = self.cdf()
-        cdf /= cdf.max()
+
         # always use normalized probabilities when sampling
+        cdf = self.cdf()
         p = self.p / cdf.max()
+        cdf /= cdf.max()
 
         # get CDF bins that are above the
         # sampled values
@@ -962,7 +964,7 @@ class Tabular(Univariate):
         # the random number is less than the next cdf
         # entry
         x_i = self.x[cdf_idx]
-        p_i = self.p[cdf_idx]
+        p_i = p[cdf_idx]
 
         if self.interpolation == 'histogram':
             # mask where probability is greater than zero
@@ -980,7 +982,7 @@ class Tabular(Univariate):
             # get variable and probability values for the
             # next entry
             x_i1 = self.x[cdf_idx + 1]
-            p_i1 = self.p[cdf_idx + 1]
+            p_i1 = p[cdf_idx + 1]
             # compute slope between entries
             m = (p_i1 - p_i) / (x_i1 - x_i)
             # set values for zero slope
@@ -1166,9 +1168,10 @@ class Mixture(Univariate):
 
     def sample(self, n_samples=1, seed=None):
         np.random.seed(seed)
-        idx = np.random.choice(self.distribution, n_samples, p=self.probability)
+        idx = np.random.choice(range(len(self.distribution)),
+                               n_samples, p=self.probability)
 
-        out = np.zeros_like(idx)
+        out = np.empty_like(idx, dtype=float)
         for i in np.unique(idx):
             n_dist_samples = np.count_nonzero(idx == i)
             samples = self.distribution[i].sample(n_dist_samples)

From cc7aa092be7b7a9eed9c9ddd85a9e1edb0a1f14b Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 28 Jul 2022 17:07:06 -0500
Subject: [PATCH 0696/2654] Address @eepeterson comments on #2135

---
 openmc/stats/univariate.py     |  8 ++--
 tests/unit_tests/test_stats.py | 69 ++++++++++++++++++++--------------
 2 files changed, 44 insertions(+), 33 deletions(-)

diff --git a/openmc/stats/univariate.py b/openmc/stats/univariate.py
index c19f45365..58b7c6172 100644
--- a/openmc/stats/univariate.py
+++ b/openmc/stats/univariate.py
@@ -1254,10 +1254,10 @@ def combine_distributions(dists, probs):
     """Combine distributions with specified probabilities
 
     This function can be used to combine multiple instances of
-    :class:`~openmc.stats.Discrete` and `~openmc.stats.Tabular` into a single
-    distribution. Multiple discrete distributions are merged into a single
-    distribution and the remainder of the distributions are put into a
-    :class:`~openmc.stats.Mixture` distribution.
+    :class:`~openmc.stats.Discrete` and `~openmc.stats.Tabular`. Multiple
+    discrete distributions are merged into a single distribution and the
+    remainder of the distributions are put into a :class:`~openmc.stats.Mixture`
+    distribution.
 
     .. versionadded:: 0.13.1
 
diff --git a/tests/unit_tests/test_stats.py b/tests/unit_tests/test_stats.py
index 404cecd13..1cfcf00c3 100644
--- a/tests/unit_tests/test_stats.py
+++ b/tests/unit_tests/test_stats.py
@@ -6,6 +6,12 @@ import openmc
 import openmc.stats
 
 
+def assert_sample_mean(samples, expected_mean):
+    std_dev = samples.std() / np.sqrt(samples.size)
+    assert np.abs(expected_mean - samples.mean()) < 3*std_dev
+
+
+
 def test_discrete():
     x = [0.0, 1.0, 10.0]
     p = [0.3, 0.2, 0.5]
@@ -33,13 +39,11 @@ def test_discrete():
 
     d3 = openmc.stats.Discrete(vals, probs)
 
-    # sample discrete distribution
+    # sample discrete distribution and check that the mean of the samples is
+    # within 3 std. dev. of the expected mean
     n_samples = 1_000_000
     samples = d3.sample(n_samples, seed=100)
-    # check that the mean of the samples is within 3 std. dev.
-    # of the expected mean
-    std_dev = samples.std() / np.sqrt(n_samples)
-    assert np.abs(exp_mean - samples.mean()) < 3*std_dev
+    assert_sample_mean(samples, exp_mean)
 
 
 def test_merge_discrete():
@@ -80,13 +84,12 @@ def test_uniform():
     np.testing.assert_array_equal(t.p, [1/(b-a), 1/(b-a)])
     assert t.interpolation == 'histogram'
 
+    # Sample distribution and check that the mean of the samples is within 3
+    # std. dev. of the expected mean
     exp_mean = 0.5 * (a + b)
     n_samples = 1_000_000
     samples = d.sample(n_samples, seed=100)
-    # check that the mean of the samples is within 3 std. dev.
-    # of the expected mean
-    std_dev = samples.std() / np.sqrt(n_samples)
-    assert np.abs(exp_mean - samples.mean()) < 3*std_dev
+    assert_sample_mean(samples, exp_mean)
 
 
 def test_powerlaw():
@@ -102,13 +105,11 @@ def test_powerlaw():
 
     exp_mean = 100.0 * (n+1) / (n+2)
 
-    # sample power law distribution
+    # sample power law distribution and check that the mean of the samples is
+    # within 3 std. dev. of the expected mean
     n_samples = 1_000_000
     samples = d.sample(n_samples, seed=100)
-    # check that the mean of the samples is within 3 std. dev.
-    # of the expected mean
-    std_dev = samples.std() / np.sqrt(n_samples)
-    assert np.abs(exp_mean - samples.mean()) < 3*std_dev
+    assert_sample_mean(samples, exp_mean)
 
 
 def test_maxwell():
@@ -122,21 +123,15 @@ def test_maxwell():
 
     exp_mean = 3/2 * theta
 
-    # sample maxwell distribution
+    # sample maxwell distribution and check that the mean of the samples is
+    # within 3 std. dev. of the expected mean
     n_samples = 1_000_000
     samples = d.sample(n_samples, seed=100)
-    # check that the mean of the samples is within 3 std. dev.
-    # of the expected mean
-    std_dev = samples.std() / np.sqrt(n_samples)
-    assert np.abs(exp_mean - samples.mean()) < 3*std_dev
+    assert_sample_mean(samples, exp_mean)
 
     # A second sample with a different seed
     samples_2 = d.sample(n_samples, seed=200)
-    # check that the mean of the samples is within 3 std. dev.
-    # of the expected mean
-    std_dev = samples_2.std() / np.sqrt(n_samples)
-    assert np.abs(exp_mean - samples_2.mean()) < 3*std_dev
-
+    assert_sample_mean(samples_2, exp_mean)
     assert samples_2.mean() != samples.mean()
 
 
@@ -156,13 +151,11 @@ def test_watt():
     # https://doi.org/10.1016/j.physletb.2003.09.048
     exp_mean = 3/2 * a + a**2 * b / 4
 
-    # sample Watt distribution
+    # sample Watt distribution and check that the mean of the samples is within
+    # 3 std. dev. of the expected mean
     n_samples = 1_000_000
     samples = d.sample(n_samples, seed=100)
-    # check that the mean of the samples is within 3 std. dev.
-    # of the expected mean
-    std_dev = samples.std() / np.sqrt(n_samples)
-    assert np.abs(exp_mean - samples.mean()) < 3*std_dev
+    assert_sample_mean(samples, exp_mean)
 
 
 def test_tabular():
@@ -228,6 +221,11 @@ def test_mixture():
     assert mix.distribution == [d1, d2]
     assert len(mix) == 4
 
+    # Sample and make sure sample mean is close to expected mean
+    n_samples = 1_000_000
+    samples = mix.sample(n_samples)
+    assert_sample_mean(samples, (2.5 + 5.0)/2)
+
     elem = mix.to_xml_element('distribution')
 
     d = openmc.stats.Mixture.from_xml_element(elem)
@@ -427,3 +425,16 @@ def test_combine_distributions():
     assert isinstance(mixed, openmc.stats.Mixture)
     assert len(mixed.distribution) == 2
     assert len(mixed.probability) == 2
+
+    # Combine 1 discrete and 2 tabular -- the tabular distributions should
+    # combine to produce a uniform distribution with mean 0.5. The combined
+    # distribution should have a mean of 0.25.
+    t1 = openmc.stats.Tabular([0., 1.], [2.0, 0.0])
+    t2 = openmc.stats.Tabular([0., 1.], [0.0, 2.0])
+    d1 = openmc.stats.Discrete([0.0], [1.0])
+    combined = openmc.stats.combine_distributions([t1, t2, d1], [0.25, 0.25, 0.5])
+
+    # Sample the combined distribution and make sure the sample mean is within
+    # uncertainty of the expected value
+    samples = combined.sample(10)
+    assert_sample_mean(samples, 0.25)

From 3e827530baef93dabcfa99a7141bba4db9997660 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Thu, 28 Jul 2022 15:55:07 -0500
Subject: [PATCH 0697/2654] make changes from @paulromano's 3rd review - syntax
 fixes and adjustments - change name of FluxDepletionOperator to
 IndependentOperator - flux_operator.py -> independent_operator.py - new
 class, MicroXS, for creating (for now) one-group microscopic   cross section
 DataFrames. This class takes the functionality that was   previously in
 static functions in IndependentOperator - Associated changes to the test
 suite and online docs

---
 docs/source/pythonapi/deplete.rst             |   5 +-
 docs/source/usersguide/depletion.rst          |  64 +++--
 openmc/deplete/__init__.py                    |   3 +-
 openmc/deplete/abc.py                         |   4 +-
 ...ux_operator.py => independent_operator.py} | 234 +++---------------
 openmc/deplete/microxs.py                     | 178 +++++++++++++
 openmc/deplete/openmc_operator.py             |   8 +-
 openmc/deplete/operator.py                    |   4 +-
 .../deplete_no_transport/test.py              |  18 +-
 tests/regression_tests/microxs/__init.py__    |   0
 tests/regression_tests/microxs/test.py        |  52 ++++
 .../microxs/test_reference.csv                |   7 +
 .../unit_tests/test_deplete_flux_operator.py  |  83 -------
 .../test_deplete_independent_operator.py      |  36 +++
 tests/unit_tests/test_deplete_microxs.py      |  60 +++++
 15 files changed, 437 insertions(+), 319 deletions(-)
 rename openmc/deplete/{flux_operator.py => independent_operator.py} (67%)
 create mode 100644 openmc/deplete/microxs.py
 create mode 100644 tests/regression_tests/microxs/__init.py__
 create mode 100644 tests/regression_tests/microxs/test.py
 create mode 100644 tests/regression_tests/microxs/test_reference.csv
 delete mode 100644 tests/unit_tests/test_deplete_flux_operator.py
 create mode 100644 tests/unit_tests/test_deplete_independent_operator.py
 create mode 100644 tests/unit_tests/test_deplete_microxs.py

diff --git a/docs/source/pythonapi/deplete.rst b/docs/source/pythonapi/deplete.rst
index cb9adfaaf..246cea59f 100644
--- a/docs/source/pythonapi/deplete.rst
+++ b/docs/source/pythonapi/deplete.rst
@@ -49,9 +49,9 @@ specific to OpenMC are available using the following classes:
    :template: mycallable.rst
 
    Operator
-   FluxDepletionOperator
+   IndependentOperator
 
-The :class:`Operator` and :class:`FluxDepletionOperator` classes must also have
+The :class:`Operator` and :class:`IndependentOperator` classes must also have
 some knowledge of how nuclides transmute and decay. This is handled by the 
 :class:`Chain`.
 
@@ -134,6 +134,7 @@ data, such as number densities and reaction rates for each material.
    :template: myclass.rst
 
    AtomNumber
+   MicroXS
    OperatorResult
    ReactionRates
    Results
diff --git a/docs/source/usersguide/depletion.rst b/docs/source/usersguide/depletion.rst
index cfb373e13..0bc2a5af9 100644
--- a/docs/source/usersguide/depletion.rst
+++ b/docs/source/usersguide/depletion.rst
@@ -97,7 +97,7 @@ Energy Deposition
 -----------------
 
 The default energy deposition mode, ``"fission-q"``, instructs the
-:class:`openmc.deplete.Operator` to normalize reaction rates using the product
+:class:`~openmc.deplete.Operator` to normalize reaction rates using the product
 of fission reaction rates and fission Q values taken from the depletion chain.
 This approach does not consider indirect contributions to energy deposition,
 such as neutron heating and energy from secondary photons. In doing this, the
@@ -113,7 +113,7 @@ should be, including indirect components. Some examples are provided below::
     fission_q = {"U235": 202e+6}  # energy in eV
 
     # create a Model object
-    model  = openmc.Model(geometry, settings)
+    model = openmc.Model(geometry, settings)
 
     # create a modified chain and write it to a new file
     chain = openmc.deplete.Chain.from_xml("chain.xml", fission_q)
@@ -133,7 +133,7 @@ to normalize reaction rates instead of using the fission reaction rates with::
         normalization_mode="energy-deposition")
 
 These modified heating libraries can be generated by running the latest version
-of :meth:`openmc.data.IncidentNeutron.from_njoy`, and will eventually be bundled
+of :meth:`openmc.data.IncidentNeutron.from_njoy()`, and will eventually be bundled
 into the distributed libraries.
 
 Local Spectra and Repeated Materials
@@ -188,31 +188,57 @@ Transport-independent depletion
    possible and likely in the near future.
 
 OpenMC supports running depletion calculations independent of the OpenMC
-transport solver using the :class:`~openmc.deplete.FluxDepletionOperator` class.
+transport solver using the :class:`~openmc.deplete.IndependentOperator` class.
 This class supports both constant-flux (``source-rate`` normalization) and 
 constant-power depletion (``fission-q`` normalization).
 
 .. important::
 
-   Make sure you set the correct parameter in the :class:`openmc.abc.Integrator` class. Use the ``source_rates`` parameter when ``normalization_mode == source-rate``, and use ``power`` or ``power_density`` when ``normalization_mode == fission-q``.
+   Make sure you set the correct parameter in the :class:`openmc.abc.Integrator`
+   class. Use the ``source_rates`` parameter when
+   ``normalization_mode == source-rate``, and use ``power`` or ``power_density``
+   when ``normalization_mode == fission-q``.
 
 .. warning::
 
-   The accuracy of results when using ``fission-q`` is entirely dependent on your depletion chain. Make sure it has sufficient data to resolve the dynamics of your particular scenario. 
+   The accuracy of results when using ``fission-q`` is entirely dependent on
+   your depletion chain. Make sure it has sufficient data to resolve the
+   dynamics of your particular scenario. 
 
-This class has two ways to initialize it: the default constructor accepts an 
-:class:`openmc.Materials` object and one-group microscopic 
-cross sections as a :class:`pandas.DataFrame`, while the ``from_nuclides``
-method accepts a volume and dictionary of nuclide concentrations in place of
-the :class:`openmc.Materials` object in addition to the other parameters.
-The class includes helper functions to construct the dataframe from a csv file
-or from data arrays::
+:class:`~openmc.deplete.IndependentOperator` class uses one-group microscopic cross sections to calculate reaction
+rates. Users can generate one-group microscopic cross sections using the 
+:class:`~openmc.deplete.MicroXS` class::
+
+    import openmc
+    from openmc.deplete import MicroXS
+
+    model = openmc.Model.from_xml()
+
+    micro_xs = MicroXS.from_model(model, model.materials[0])
+
+    micro_xs.to_csv(micro_xs_path)
+
+:class:`~openmc.deplete.MicroXS` also includes functions to read in cross
+section data directly from a ``.csv`` file or from data arrays::
+
+    micro_xs = MicroXS.from_csv(micro_xs_path)
+
+    nuclides = ['U234', 'U235', 'U238']
+    reactions = ['fission', '(n,gamma)']
+    data = np.array([[0.1, 0.2],
+                     [0.3, 0.4],
+                     [0.01, 0.5]])
+    micro_xs = MicroXS.from_array(nuclides, reactions, data)
+
+:class:`~openmc.deplete.IndependentOperator` has two ways to initialize it:
+the default constructor accepts an :class:`openmc.Materials` object and
+one-group microscopic cross sections as a :class:`~openmc.deplete.MicroXS`
+object, while the :meth:`~openmc.deplete.IndependentOperator.from_nuclides` 
+method accepts a volume and dictionary of nuclide concentrations in place of the
+:class:`openmc.Materials` object in addition to the other parameters::
 
-    ...
     # load in the microscopic cross sections
-    micro_xs = FluxDepletionOperator.create_micro_xs_from_csv(micro_xs_path)
-    flux = 1.16e15
-    op = FluxDepletionOperator(materials, micro_xs, chain_file)
+    op = IndependentOperator(materials, micro_xs, chain_file)
 
     # alternate construtor
     nuclides = {'U234': 8.92e18,
@@ -222,8 +248,8 @@ or from data arrays::
                 'O16': 4.64e22,
                 'O17': 1.76e19}
     volume = 0.5 
-    op = FluxDepletionOperator.from_nuclides(volume, nuclides, 'atom/cm3',
-                                             micro_xs, flux, chain_file)
+    op = IndependentOperator.from_nuclides(volume, nuclides, micro_xs,
+                                           chain_file, nuc_units='atom/cm3')
 
 A user can then define an integrator class as they would for a coupled
 transport-depletion calculation and follow the same steps from there.
diff --git a/openmc/deplete/__init__.py b/openmc/deplete/__init__.py
index deddf1100..12e4abe87 100644
--- a/openmc/deplete/__init__.py
+++ b/openmc/deplete/__init__.py
@@ -9,7 +9,8 @@ from .nuclide import *
 from .chain import *
 from .openmc_operator import *
 from .operator import *
-from .flux_operator import *
+from .independent_operator import *
+from .microxs import *
 from .reaction_rates import *
 from .atom_number import *
 from .stepresult import *
diff --git a/openmc/deplete/abc.py b/openmc/deplete/abc.py
index 90a353d93..cdbd1361a 100644
--- a/openmc/deplete/abc.py
+++ b/openmc/deplete/abc.py
@@ -526,7 +526,7 @@ class Integrator(ABC):
         initial heavy metal inventory to get total power if ``power``
         is not specified.
     source_rates : float or iterable of float, optional
-        Source rate in [neutron/sec] or neutron flux in [neut/s-cm^2] for each
+        Source rate in [neutron/sec] or neutron flux in [neut/cm^2-s] for each
         interval in :attr:`timesteps`
 
         .. versionadded:: 0.12.1
@@ -864,7 +864,7 @@ class SIIntegrator(Integrator):
         initial heavy metal inventory to get total power if ``power``
         is not specified.
     source_rates : float or iterable of float, optional
-        Source rate in [neutron/sec] or neutron flux in [neut/s-cm^2] for each
+        Source rate in [neutron/sec] or neutron flux in [neutron/s-cm^2] for each
         interval in :attr:`timesteps`
 
         .. versionadded:: 0.12.1
diff --git a/openmc/deplete/flux_operator.py b/openmc/deplete/independent_operator.py
similarity index 67%
rename from openmc/deplete/flux_operator.py
rename to openmc/deplete/independent_operator.py
index 410552671..98ef6656d 100644
--- a/openmc/deplete/flux_operator.py
+++ b/openmc/deplete/independent_operator.py
@@ -1,7 +1,7 @@
-"""Pure depletion operator
+"""Independent depletion operator
 
-This module implements a pure depletion operator that user-provided one-group
-cross sections.
+This module implements a depletion operator that runs independently of any
+transport solver by using user-provided one-group cross sections.
 
 """
 
@@ -11,110 +11,33 @@ from warnings import warn
 from itertools import product
 
 import numpy as np
-import pandas as pd
 from uncertainties import ufloat
 
 import openmc
-from openmc.checkvalue import check_type, check_value, check_iterable_type
+from openmc.checkvalue import check_type
 from openmc.mpi import comm
-from openmc.mgxs import EnergyGroups, ArbitraryXS, FissionXS
 from .abc import ReactionRateHelper, OperatorResult
-from .chain import REACTIONS
 from .openmc_operator import OpenMCOperator, _distribute
+from .microxs import MicroXS
 from .results import Results
 from .helpers import ChainFissionHelper, ConstantFissionYieldHelper, SourceRateHelper
 
-_valid_rxns = list(REACTIONS)
-_valid_rxns.append('fission')
-
-def generate_1g_cross_sections(model,
-                               reaction_domain,
-                               reactions=['(n,gamma)',
-                                          '(n,2n)',
-                                          '(n,p)',
-                                          '(n,a)',
-                                          '(n,3n)',
-                                          '(n,4n)',
-                                          'fission'],
-                               energy_bounds=(0, 20e6),
-                               write_to_csv=False,
-                               filename='micro_xs.csv'):
-    """Helper function to generate a one-group cross-section dataframe  using
-    OpenMC. Note that the ``openmc`` executable must be compiled.
-
-    Parameters
-    ----------
-    model : openmc.model.Model
-        OpenMC model object. Must contain geometry, materials, and settings.
-    reaction_domain : openmc.Material or openmc.Cell or openmc.Universe or openmc.RegularMesh
-        Domain in which to tally reaction rates.
-    reactions : list of str, optional
-        Reaction names to tally
-    energy_bound : 2-tuple of float, optional
-        Bounds for the energy group.
-    write_to_csv : bool, optional
-        Option to write the DataFrame to a `.csv` file.
-    filename : str
-        Name for csv file. Only applicable if ``write_to_csv == True``
-
-    Returns
-    -------
-    None or pandas.DataFrame
-
-    """
-    groups = EnergyGroups(energy_bounds)
-
-    # Set up the reaction tallies
-    original_tallies = model.tallies
-    tallies = openmc.Tallies()
-    xs = {}
-    for rxn in reactions:
-        if rxn == 'fission':
-            xs[rxn] = FissionXS(domain=reaction_domain, groups=groups, by_nuclide=True)
-        else:
-            xs[rxn] = ArbitraryXS(rxn, domain=reaction_domain, groups=groups, by_nuclide=True)
-        tallies += xs[rxn].tallies.values()
-
-    model.tallies = tallies
-    statepoint_path = model.run()
-
-    # Revert to the original tallies
-    model.tallies = old_tallies
-
-    with openmc.StatePoint(statepoint_path) as sp:
-        for rxn in xs:
-            xs[rxn].load_from_statepoint(sp)
-
-    # Build the DataFrame
-    micro_xs = pd.DataFrame()
-    for rxn in xs:
-        df = xs[rxn].get_pandas_dataframe(xs_type='micro')
-        df.index = df['nuclide']
-        df.drop(['nuclide', xs[rxn].domain_type, 'group in', 'std. dev.'], axis=1, inplace=True)
-        df.rename({'mean':rxn}, axis=1, inplace=True)
-        micro_xs = pd.concat([micro_xs, df], axis=1)
-
-    if write_to_csv:
-        micro_xs.to_csv(filename)
-
-    return micro_xs
-
-class FluxDepletionOperator(OpenMCOperator):
-    """Depletion operator that uses one-group
-    cross sections to calculate reaction rates.
+class IndependentOperator(OpenMCOperator):
+    """Depletion operator that uses one-group cross sections to calculate
+    reaction rates.
 
     Instances of this class can be used to perform depletion using one-group
-    cross sections and constant flux or constant power. Normally, a user needn't call methods of
-    this class directly. Instead, an instance of this class is passed to an
-    integrator class, such as :class:`openmc.deplete.CECMIntegrator`.
+    cross sections and constant flux or constant power. Normally, a user needn't
+    call methods of this class directly. Instead, an instance of this class is
+    passed to an integrator class, such as
+    :class:`openmc.deplete.CECMIntegrator`.
 
     Parameters
     ----------
     materials : openmc.Materials
         Materials to deplete.
-    micro_xs : pandas.DataFrame
-        DataFrame with nuclides names as index and microscopic cross section
-        data in the columns. Cross section units are [cm^-2].
+    micro_xs : MicroXS
+        One-group microscopic cross sections in [b] .
     chain_file : str
         Path to the depletion chain XML file.
     keff : 2-tuple of float, optional
@@ -134,23 +57,23 @@ class FluxDepletionOperator(OpenMCOperator):
         if ``"normalization_mode" == "fission-q"``.
     reduce_chain : bool, optional
         If True, use :meth:`openmc.deplete.Chain.reduce` to reduce the
-        depletion chain up to ``reduce_chain_level``. Default is False.
+        depletion chain up to ``reduce_chain_level``.
     reduce_chain_level : int, optional
         Depth of the search when reducing the depletion chain. Only used
         if ``reduce_chain`` evaluates to true. The default value of
         ``None`` implies no limit on the depth.
     fission_yield_opts : dict of str to option, optional
-        Optional arguments to pass to the `FissionYieldHelper`. Will be
+        Optional arguments to pass to the
+        :class:`openmc.deplete.helpers.FissionYieldHelper` object. Will be
         passed directly on to the helper. Passing a value of None will use
         the defaults for the associated helper.
 
-
     Attributes
     ----------
     materials : openmc.Materials
         All materials present in the model
-    cross_sections : pandas.DataFrame
-        Object containing one-group cross-sections.
+    cross_sections : MicroXS
+        Object containing one-group cross-sections in [cm^2].
     dilute_initial : float
         Initial atom density [atoms/cm^3] to add for nuclides that
         are zero in initial condition to ensure they exist in the decay
@@ -193,7 +116,7 @@ class FluxDepletionOperator(OpenMCOperator):
                  fission_yield_opts=None):
         # Validate micro-xs parameters
         check_type('materials', materials, openmc.Materials)
-        check_type('micro_xs', micro_xs, pd.DataFrame)
+        check_type('micro_xs', micro_xs, MicroXS)
         if keff is not None:
             check_type('keff', keff, tuple, float)
             keff = ufloat(*keff)
@@ -205,9 +128,11 @@ class FluxDepletionOperator(OpenMCOperator):
         helper_kwargs = {'normalization_mode': normalization_mode,
                          'fission_yield_opts': fission_yield_opts}
 
+        cross_sections = micro_xs * 1e-24
+        cross_sections._units = 'cm^2'
         super().__init__(
             materials,
-            micro_xs,
+            cross_sections,
             chain_file,
             prev_results,
             fission_q=fission_q,
@@ -216,9 +141,10 @@ class FluxDepletionOperator(OpenMCOperator):
             reduce_chain_level=reduce_chain_level)
 
     @classmethod
-    def from_nuclides(cls, volume, nuclides, nuc_units,
+    def from_nuclides(cls, volume, nuclides,
                       micro_xs,
                       chain_file,
+                      nuc_units='atom/b-cm',
                       keff=None,
                       normalization_mode='source-rate',
                       fission_q=None,
@@ -234,13 +160,12 @@ class FluxDepletionOperator(OpenMCOperator):
         nuclides : dict of str to float
             Dictionary with nuclide names as keys and nuclide concentrations as
             values.
-        nuc_units : {'atom/cm3', 'atom/b-cm'}
-            Units for nuclide concentration.
-        micro_xs : pandas.DataFrame
-            DataFrame with nuclides names as index and microscopic cross section
-            data in the columns. Cross section units are [cm^-2].
+        micro_xs : MicroXS
+            One-group microscopic cross sections.
         chain_file : str
             Path to the depletion chain XML file.
+        nuc_units : {'atom/cm3', 'atom/b-cm'}
+            Units for nuclide concentration.
         keff : 2-tuple of float, optional
            keff eigenvalue and uncertainty from transport calculation.
            Default is None.
@@ -325,17 +250,16 @@ class FluxDepletionOperator(OpenMCOperator):
         """Finds nuclides with cross section data"""
         return set(cross_sections.index)
 
-    class _FluxDepletionNormalizationHelper(ChainFissionHelper):
-        """Class for calculating one-group flux
-        based on a power.
+    class _IndependentNormalizationHelper(ChainFissionHelper):
+        """Class for calculating one-group flux based on a power.
 
         flux = Power / X, where X = volume * sum_i(Q_i * fission_micro_xs_i * density_i)
 
         Parameters
         ----------
-        op : openmc.deplete.FluxDepletionOperator
-            Reference to the object encapsulate _FluxDepletionNormalizationHelper.
-            We pass this so we don't have to duplicate the ``number`` object.
+        op : openmc.deplete.IndependentOperator
+            Reference to the object encapsulating _IndependentNormalizationHelper.
+            We pass this so we don't have to duplicate :attr:`IndependentOperator.number`.
 
         """
 
@@ -367,7 +291,7 @@ class FluxDepletionOperator(OpenMCOperator):
 
             super().update(fission_rates)
 
-    class _FluxDepletionRateHelper(ReactionRateHelper):
+    class _IndependentRateHelper(ReactionRateHelper):
         """Class for generating one-group reaction rates with flux and
         one-group cross sections.
 
@@ -378,9 +302,9 @@ class FluxDepletionOperator(OpenMCOperator):
 
         Parameters
         ----------
-        op : openmc.deplete.FluxDepletionOperator
-            Reference to the object encapsulate _FluxDepletionRateHelper.
-            We pass this so we don't have to duplicate the ``number`` object.
+        op : openmc.deplete.IndependentOperator
+            Reference to the object encapsulate _IndependentRateHelper.
+            We pass this so we don't have to duplicate the :attr:`IndependentOperator.number` object.
 
 
         Attributes
@@ -441,9 +365,9 @@ class FluxDepletionOperator(OpenMCOperator):
         normalization_mode = helper_kwargs['normalization_mode']
         fission_yield_opts = helper_kwargs['fission_yield_opts']
 
-        self._rate_helper = self._FluxDepletionRateHelper(self)
+        self._rate_helper = self._IndependentRateHelper(self)
         if normalization_mode == "fission-q":
-            self._normalization_helper = self._FluxDepletionNormalizationHelper(self)
+            self._normalization_helper = self._IndependentNormalizationHelper(self)
         else:
             self._normalization_helper = SourceRateHelper()
 
@@ -472,7 +396,7 @@ class FluxDepletionOperator(OpenMCOperator):
         vec : list of numpy.ndarray
             Total atoms to be used in function.
         source_rate : float
-            Power in [W] or flux in [neut/s-cm^2]
+            Power in [W] or flux in [neutron/cm^2-s]
 
         Returns
         -------
@@ -523,79 +447,3 @@ class FluxDepletionOperator(OpenMCOperator):
 
                                       ' atom/b-cm)')
                             number_i[mat, nuc] = 0.0
-
-    @staticmethod
-    def create_micro_xs_from_data_array(nuclides, reactions, data):
-        """
-        Creates a ``micro_xs`` parameter from a dictionary.
-
-        Parameters
-        ----------
-        nuclides : list of str
-            List of nuclide symbols for that have data for at least one
-            reaction.
-        reactions : list of str
-            List of reactions. All reactions must match those in ``chain.REACTIONS``
-        data : ndarray of floats
-            Array containing one-group microscopic cross section values, in
-            [barn], for each nuclide and reaction.
-
-        Returns
-        -------
-        micro_xs : pandas.DataFrame
-            A DataFrame object correctly formatted for use in ``FluxOperator``.
-            Cross section data is in [cm^2]
-        """
-
-        # Validate inputs
-        if data.shape != (len(nuclides), len(reactions)):
-            raise ValueError(
-                f'Nuclides list of length {len(nuclides)} and '
-                f'reactions array of length {len(reactions)} do not '
-                f'match dimensions of data array of shape {data.shape}')
-
-        FluxDepletionOperator._validate_micro_xs_inputs(
-            nuclides, reactions, data)
-
-        # Convert to cm^2
-        data *= 1e-24
-
-        return pd.DataFrame(index=nuclides, columns=reactions, data=data)
-
-    @staticmethod
-    def create_micro_xs_from_csv(csv_file, units='barn'):
-        """
-        Create the ``micro_xs`` parameter from a ``.csv`` file.
-
-        Parameters
-        ----------
-        csv_file : str
-            Relative path to csv-file containing microscopic cross section
-            data. Cross section values should be in [barn].
-
-        Returns
-        -------
-        micro_xs : pandas.DataFrame
-            A DataFrame object correctly formatted for use in ``FluxOperator``.
-            Cross section data is in [cm^2]
-
-        """
-        micro_xs = pd.read_csv(csv_file, index_col=0)
-
-        FluxDepletionOperator._validate_micro_xs_inputs(list(micro_xs.index),
-                                                        list(micro_xs.columns),
-                                                        micro_xs.to_numpy())
-
-        micro_xs *= 1e-24
-
-        return micro_xs
-
-    # Convenience function for the micro_xs static methods
-    @staticmethod
-    def _validate_micro_xs_inputs(nuclides, reactions, data):
-        check_iterable_type('nuclides', nuclides, str)
-        check_iterable_type('reactions', reactions, str)
-        check_type('data', data, np.ndarray, expected_iter_type=float)
-        for reaction in reactions:
-            check_value('reactions', reaction, _valid_rxns)
-
diff --git a/openmc/deplete/microxs.py b/openmc/deplete/microxs.py
new file mode 100644
index 000000000..6abf8836f
--- /dev/null
+++ b/openmc/deplete/microxs.py
@@ -0,0 +1,178 @@
+"""MicroXS module
+
+A pandas.DataFrame storing microscopic cross section data with
+nuclides names as row indices and reaction names as column indices.
+"""
+
+import tempfile
+from pathlib import Path
+from os import chdir
+
+from pandas import DataFrame, read_csv, concat
+from numpy import ndarray
+
+from openmc.checkvalue import check_type, check_value, check_iterable_type
+from openmc.mgxs import EnergyGroups, ArbitraryXS, FissionXS
+from openmc import Tallies, StatePoint
+
+from .chain import REACTIONS
+
+_valid_rxns = list(REACTIONS)
+_valid_rxns.append('fission')
+
+
+class MicroXS(DataFrame):
+    """Stores microscopic cross section data for use in
+    independent depletion.
+    """
+
+    @classmethod
+    def from_model(cls,
+                   model,
+                   reaction_domain,
+                   reactions=['(n,gamma)',
+                              '(n,2n)',
+                              '(n,p)',
+                              '(n,a)',
+                              '(n,3n)',
+                              '(n,4n)',
+                              'fission'],
+                   energy_bounds=(0, 20e6)):
+        """Generate a one-group cross-section dataframe using
+        OpenMC. Note that the ``openmc`` executable must be compiled.
+
+        Parameters
+        ----------
+        model : openmc.Model
+            OpenMC model object. Must contain geometry, materials, and settings.
+        reaction_domain : openmc.Material or openmc.Cell or openmc.Universe or openmc.RegularMesh
+            Domain in which to tally reaction rates.
+        reactions : list of str, optional
+            Reaction names to tally
+        energy_bound : 2-tuple of float, optional
+            Bounds for the energy group.
+
+        Returns
+        -------
+        MicroXS, cross section data in [b]
+
+        """
+        groups = EnergyGroups(energy_bounds)
+
+        # Set up the reaction tallies
+        original_tallies = model.tallies
+        tallies = Tallies()
+        xs = {}
+        for rxn in reactions:
+            if rxn == 'fission':
+                xs[rxn] = FissionXS(domain=reaction_domain, groups=groups, by_nuclide=True)
+            else:
+                xs[rxn] = ArbitraryXS(rxn, domain=reaction_domain, groups=groups, by_nuclide=True)
+            tallies += xs[rxn].tallies.values()
+
+        model.tallies = tallies
+
+        # create temporary run
+        original_dir = Path.cwd()
+        temp_dir = tempfile.TemporaryDirectory()
+        chdir(tempfile.gettempdir())
+        statepoint_path = model.run()
+        chdir(original_dir)
+
+        with StatePoint(statepoint_path) as sp:
+            for rxn in xs:
+                xs[rxn].load_from_statepoint(sp)
+
+        # Build the DataFrame
+        micro_xs = cls()
+        for rxn in xs:
+            df = xs[rxn].get_pandas_dataframe(xs_type='micro')
+            df.index = df['nuclide']
+            df.drop(['nuclide', xs[rxn].domain_type, 'group in', 'std. dev.'], axis=1, inplace=True)
+            df.rename({'mean':rxn}, axis=1, inplace=True)
+            micro_xs = concat([micro_xs, df], axis=1)
+
+        micro_xs._units = 'b'
+
+        # Revert to the original tallies
+        model.tallies = original_tallies
+
+        return micro_xs
+
+    @classmethod
+    def from_array(cls, nuclides, reactions, data, units='b'):
+        """
+        Creates a ``MicroXS`` object from arrays.
+
+        Parameters
+        ----------
+        nuclides : list of str
+            List of nuclide symbols for that have data for at least one
+            reaction.
+        reactions : list of str
+            List of reactions. All reactions must match those in
+            :data:`openmc.deplete.chain.REACTIONS`
+        data : ndarray of floats
+            Array containing one-group microscopic cross section values for
+            each nuclide and reaction
+        units : {'b', 'cm^2'}
+            Units of the cross section values in ``data``
+
+        Returns
+        -------
+        MicroXS
+        """
+
+        # Validate inputs
+        if data.shape != (len(nuclides), len(reactions)):
+            raise ValueError(
+                f'Nuclides list of length {len(nuclides)} and '
+                f'reactions array of length {len(reactions)} do not '
+                f'match dimensions of data array of shape {data.shape}')
+
+        cls._validate_micro_xs_inputs(
+            nuclides, reactions, data)
+        micro_xs = cls(index=nuclides, columns=reactions, data=data)
+        micro_xs._units = units
+
+        return micro_xs
+
+    @classmethod
+    def from_csv(cls, csv_file, units='b', **kwargs):
+        """
+        Load a ``MicroXS`` object from a ``.csv`` file.
+
+        Parameters
+        ----------
+        csv_file : str
+            Relative path to csv-file containing microscopic cross section
+            data.
+        units : {'b', 'cm^2'}
+            Units of the cross section values in the ``.csv`` file
+        **kwargs : dict
+            Keyword arguments to pass to :func:`pandas.read_csv()`.
+
+        Returns
+        -------
+        MicroXS
+
+        """
+        if 'float_precision' not in kwargs:
+            kwargs['float_precision'] = 'round_trip'
+
+        micro_xs = cls(read_csv(csv_file, index_col=0, **kwargs))
+
+        cls._validate_micro_xs_inputs(list(micro_xs.index),
+                                      list(micro_xs.columns),
+                                      micro_xs.to_numpy())
+        micro_xs._units = units
+
+        return micro_xs
+
+    @staticmethod
+    def _validate_micro_xs_inputs(nuclides, reactions, data):
+        check_iterable_type('nuclides', nuclides, str)
+        check_iterable_type('reactions', reactions, str)
+        check_type('data', data, ndarray, expected_iter_type=float)
+        for reaction in reactions:
+            check_value('reactions', reaction, _valid_rxns)
diff --git a/openmc/deplete/openmc_operator.py b/openmc/deplete/openmc_operator.py
index 7c0bb6678..7235ab9bf 100644
--- a/openmc/deplete/openmc_operator.py
+++ b/openmc/deplete/openmc_operator.py
@@ -1,6 +1,6 @@
 """OpenMC transport operator
 
-This module implements functions used by both OpenMC transport operators as well as pure depletion operators.
+This module implements functions shared by both OpenMC transport operators as well as indepenedent depletion operators.
 
 """
 
@@ -75,8 +75,8 @@ class OpenMCOperator(TransportOperator):
     helper_kwargs : dict
         Keyword arguments for helper classes
     reduce_chain : bool, optional
-        If True, use :meth:`openmc.deplete.Chain.reduce` to reduce the
-        depletion chain up to ``reduce_chain_level``. Default is False.
+        If True, use :meth:`openmc.deplete.Chain.reduce()` to reduce the
+        depletion chain up to ``reduce_chain_level``.
     reduce_chain_level : int, optional
         Depth of the search when reducing the depletion chain. Only used
         if ``reduce_chain`` evaluates to true. The default value of
@@ -87,7 +87,7 @@ class OpenMCOperator(TransportOperator):
     ----------
     materials : openmc.Materials
         All materials present in the model
-    cross_sections : str or pandas.DataFrame
+    cross_sections : str or MicroXS
             Path to continuous energy cross section library, or object
             containing one-group cross-sections.
     dilute_initial : float
diff --git a/openmc/deplete/operator.py b/openmc/deplete/operator.py
index db4e80b19..53a1db3e9 100644
--- a/openmc/deplete/operator.py
+++ b/openmc/deplete/operator.py
@@ -131,7 +131,7 @@ class Operator(OpenMCOperator):
         .. versionadded:: 0.12.1
     reduce_chain : bool, optional
         If True, use :meth:`openmc.deplete.Chain.reduce` to reduce the
-        depletion chain up to ``reduce_chain_level``. Default is False.
+        depletion chain up to ``reduce_chain_level``.
 
         .. versionadded:: 0.12
     reduce_chain_level : int, optional
@@ -226,7 +226,7 @@ class Operator(OpenMCOperator):
         self.cleanup_when_done = True
 
         if reaction_rate_opts is None:
-                reaction_rate_opts = {}
+            reaction_rate_opts = {}
         if fission_yield_opts is None:
             fission_yield_opts = {}
         helper_kwargs = {
diff --git a/tests/regression_tests/deplete_no_transport/test.py b/tests/regression_tests/deplete_no_transport/test.py
index 38d4aaf2e..95b842537 100644
--- a/tests/regression_tests/deplete_no_transport/test.py
+++ b/tests/regression_tests/deplete_no_transport/test.py
@@ -1,19 +1,12 @@
 """ Transport-free depletion test suite """
 
-from math import floor
-import shutil
 from pathlib import Path
-from difflib import unified_diff
 
 import numpy as np
 import pytest
 import openmc
-from openmc.data import JOULE_PER_EV
 import openmc.deplete
-from openmc.deplete import FluxDepletionOperator
-
-from tests.regression_tests import config
-
+from openmc.deplete import IndependentOperator, MicroXS
 
 @pytest.fixture(scope="module")
 def fuel():
@@ -27,7 +20,6 @@ def fuel():
 
     return fuel
 
-
 @pytest.mark.parametrize("multiproc, from_nuclides, normalization_mode, power, flux", [
     (True, True,'source-rate', None, 1164719970082145.0),
     (False, True, 'source-rate', None, 1164719970082145.0),
@@ -46,7 +38,7 @@ def test_no_transport_from_nuclides(run_in_tmpdir, fuel, multiproc, from_nuclide
     """
     # Create operator
     micro_xs_file = Path(__file__).parents[2] / 'micro_xs_simple.csv'
-    micro_xs = FluxDepletionOperator.create_micro_xs_from_csv(micro_xs_file)
+    micro_xs = MicroXS.from_csv(micro_xs_file)
     chain_file = Path(__file__).parents[2] / 'chain_simple.xml'
 
     if from_nuclides:
@@ -54,11 +46,11 @@ def test_no_transport_from_nuclides(run_in_tmpdir, fuel, multiproc, from_nuclide
         for nuc, dens in fuel.get_nuclide_atom_densities().items():
             nuclides[nuc] = dens
 
-        op = FluxDepletionOperator.from_nuclides(
-            fuel.volume, nuclides,'atom/b-cm', micro_xs, chain_file, normalization_mode=normalization_mode)
+        op = IndependentOperator.from_nuclides(
+            fuel.volume, nuclides, micro_xs, chain_file, normalization_mode=normalization_mode)
 
     else:
-        op = FluxDepletionOperator(openmc.Materials([fuel]), micro_xs, chain_file, normalization_mode=normalization_mode)
+        op = IndependentOperator(openmc.Materials([fuel]), micro_xs, chain_file, normalization_mode=normalization_mode)
 
     # Power and timesteps
     dt = [30]  # single step
diff --git a/tests/regression_tests/microxs/__init.py__ b/tests/regression_tests/microxs/__init.py__
new file mode 100644
index 000000000..e69de29bb
diff --git a/tests/regression_tests/microxs/test.py b/tests/regression_tests/microxs/test.py
new file mode 100644
index 000000000..bebe1c302
--- /dev/null
+++ b/tests/regression_tests/microxs/test.py
@@ -0,0 +1,52 @@
+"""Test one-group cross section generation"""
+import numpy as np
+import pytest
+import openmc
+
+from openmc.deplete import MicroXS
+
+@pytest.fixture(scope="module")
+def model():
+    fuel = openmc.Material(name="uo2")
+    fuel.add_element("U", 1, percent_type="ao", enrichment=4.25)
+    fuel.add_element("O", 2)
+    fuel.set_density("g/cc", 10.4)
+
+    clad = openmc.Material(name="clad")
+    clad.add_element("Zr", 1)
+    clad.set_density("g/cc", 6)
+
+    water = openmc.Material(name="water")
+    water.add_element("O", 1)
+    water.add_element("H", 2)
+    water.set_density("g/cc", 1.0)
+    water.add_s_alpha_beta("c_H_in_H2O")
+
+    radii = [0.42, 0.45]
+    fuel.volume = np.pi * radii[0] ** 2
+    clad.volume = np.pi * (radii[1]**2 - radii[0]**2)
+    water.volume = 1.24**2 - (np.pi * radii[1]**2)
+
+    materials = openmc.Materials([fuel, clad, water])
+
+    pin_surfaces = [openmc.ZCylinder(r=r) for r in radii]
+    pin_univ = openmc.model.pin(pin_surfaces, materials)
+    bound_box = openmc.rectangular_prism(1.24, 1.24, boundary_type="reflective")
+    root_cell = openmc.Cell(fill=pin_univ, region=bound_box)
+    geometry = openmc.Geometry([root_cell])
+
+    settings = openmc.Settings()
+    settings.particles = 1000
+    settings.inactive = 10
+    settings.batches = 50
+
+    return openmc.Model(geometry, materials, settings)
+
+
+def test_from_model(model):
+    ref_xs = MicroXS.from_csv('test_reference.csv')
+    test_xs = MicroXS.from_model(model, model.materials[0])
+
+    assert ref_xs._units == test_xs._units
+    np.testing.assert_allclose(test_xs, ref_xs, rtol=1e-11)
+
diff --git a/tests/regression_tests/microxs/test_reference.csv b/tests/regression_tests/microxs/test_reference.csv
new file mode 100644
index 000000000..0c47409b0
--- /dev/null
+++ b/tests/regression_tests/microxs/test_reference.csv
@@ -0,0 +1,7 @@
+nuclide,"(n,gamma)","(n,2n)","(n,p)","(n,a)","(n,3n)","(n,4n)",fission
+U234,23.518634203050674,0.0008255330840536984,0.0,0.0,9.404554397521455e-07,0.0,0.49531930067650964
+U235,10.621118186344795,0.004359401013759254,0.0,0.0,7.2974901306692395e-06,0.0,49.10955932965902
+U238,0.8652742788116055,0.005661917442209096,0.0,0.0,4.92273921631416e-05,0.0,0.10579281644765708
+U236,9.095623870006163,0.0024373322002926834,0.0,0.0,1.966889146690413e-05,0.0,0.3231539233923791
+O16,7.511380881289377e-05,0.0,1.3764104470470622e-05,0.002862620940027927,0.0,0.0,0.0
+O17,0.00041221042693945085,1.9826700699084533e-05,7.764409141772239e-06,0.05938517754333328,0.0,0.0,0.0
diff --git a/tests/unit_tests/test_deplete_flux_operator.py b/tests/unit_tests/test_deplete_flux_operator.py
deleted file mode 100644
index 8f17538ed..000000000
--- a/tests/unit_tests/test_deplete_flux_operator.py
+++ /dev/null
@@ -1,83 +0,0 @@
-"""Basic unit tests for openmc.deplete.FluxDepletionOperator instantiation
-
-Modifies and resets environment variable OPENMC_CROSS_SECTIONS
-to a custom file with new depletion_chain node
-"""
-
-from pathlib import Path
-
-import pytest
-from openmc.deplete.flux_operator import FluxDepletionOperator
-from openmc import Material, Materials
-import pandas as pd
-import numpy as np
-
-CHAIN_PATH = Path(__file__).parents[1] / "chain_simple.xml"
-ONE_GROUP_XS = Path(__file__).parents[1] / "micro_xs_simple.csv"
-
-
-def test_create_micro_xs_from_data_array():
-    nuclides = [
-        'U234',
-        'U235',
-        'U238',
-        'U236',
-        'O16',
-        'O17',
-        'I135',
-        'Xe135',
-        'Xe136',
-        'Cs135',
-        'Gd157',
-        'Gd156']
-    reactions = ['fission', '(n,gamma)']
-    # These values are placeholders and are not at all
-    # physically meaningful.
-    data = np.array([[0.1, 0.],
-                     [0.1, 0.],
-                     [0.9, 0.],
-                     [0.4, 0.],
-                     [0., 0.],
-                     [0., 0.],
-                     [0., 0.1],
-                     [0., 0.9],
-                     [0., 0.],
-                     [0., 0.],
-                     [0., 0.1],
-                     [0., 0.1]])
-
-    FluxDepletionOperator.create_micro_xs_from_data_array(
-        nuclides, reactions, data)
-    with pytest.raises(ValueError, match=r'Nuclides list of length \d* and '
-                       r'reactions array of length \d* do not '
-                       r'match dimensions of data array of shape \(\d*\,d*\)'):
-        FluxDepletionOperator.create_micro_xs_from_data_array(
-            nuclides, reactions, data[:, 0])
-
-
-def test_create_micro_xs_from_csv():
-    FluxDepletionOperator.create_micro_xs_from_csv(ONE_GROUP_XS)
-
-
-def test_operator_init():
-    """The test uses a temporary dummy chain. This file will be removed
-    at the end of the test, and only contains a depletion_chain node."""
-    volume = 1
-    nuclides = {'U234': 8.922411359424315e+18,
-                'U235': 9.98240191860822e+20,
-                'U238': 2.2192386373095893e+22,
-                'U236': 4.5724195495061115e+18,
-                'O16': 4.639065406771322e+22,
-                'O17': 1.7588724018066158e+19}
-    micro_xs = FluxDepletionOperator.create_micro_xs_from_csv(ONE_GROUP_XS)
-    nuclide_flux_operator = FluxDepletionOperator.from_nuclides(
-        volume, nuclides, 'atom/cm3', micro_xs, CHAIN_PATH)
-
-    fuel = Material(name="uo2")
-    fuel.add_element("U", 1, percent_type="ao", enrichment=4.25)
-    fuel.add_element("O", 2)
-    fuel.set_density("g/cc", 10.4)
-    fuel.depletable=True
-    fuel.volume = 1
-    materials = Materials([fuel])
-    nuclide_flux_operator = FluxDepletionOperator(materials, micro_xs, CHAIN_PATH)
diff --git a/tests/unit_tests/test_deplete_independent_operator.py b/tests/unit_tests/test_deplete_independent_operator.py
new file mode 100644
index 000000000..f6cc7e200
--- /dev/null
+++ b/tests/unit_tests/test_deplete_independent_operator.py
@@ -0,0 +1,36 @@
+"""Basic unit tests for openmc.deplete.IndependentOperator instantiation
+
+"""
+
+from pathlib import Path
+
+import pytest
+from openmc.deplete import IndependentOperator, MicroXS
+from openmc import Material, Materials
+import numpy as np
+
+CHAIN_PATH = Path(__file__).parents[1] / "chain_simple.xml"
+ONE_GROUP_XS = Path(__file__).parents[1] / "micro_xs_simple.csv"
+
+def test_operator_init():
+    """The test uses a temporary dummy chain. This file will be removed
+    at the end of the test, and only contains a depletion_chain node."""
+    volume = 1
+    nuclides = {'U234': 8.922411359424315e+18,
+                'U235': 9.98240191860822e+20,
+                'U238': 2.2192386373095893e+22,
+                'U236': 4.5724195495061115e+18,
+                'O16': 4.639065406771322e+22,
+                'O17': 1.7588724018066158e+19}
+    micro_xs = MicroXS.from_csv(ONE_GROUP_XS)
+    IndependentOperator.from_nuclides(
+        volume, nuclides, micro_xs, CHAIN_PATH, nuc_units='atom/cm3')
+
+    fuel = Material(name="uo2")
+    fuel.add_element("U", 1, percent_type="ao", enrichment=4.25)
+    fuel.add_element("O", 2)
+    fuel.set_density("g/cc", 10.4)
+    fuel.depletable=True
+    fuel.volume = 1
+    materials = Materials([fuel])
+    IndependentOperator(materials, micro_xs, CHAIN_PATH)
diff --git a/tests/unit_tests/test_deplete_microxs.py b/tests/unit_tests/test_deplete_microxs.py
new file mode 100644
index 000000000..17d9cb38f
--- /dev/null
+++ b/tests/unit_tests/test_deplete_microxs.py
@@ -0,0 +1,60 @@
+"""Basic unit tests for openmc.deplete.IndependentOperator instantiation
+
+Modifies and resets environment variable OPENMC_CROSS_SECTIONS
+to a custom file with new depletion_chain node
+"""
+
+from os import remove
+from pathlib import Path
+
+import pytest
+from openmc.deplete import MicroXS
+import numpy as np
+
+ONE_GROUP_XS = Path(__file__).parents[1] / "micro_xs_simple.csv"
+
+
+def test_from_array():
+    nuclides = [
+        'U234',
+        'U235',
+        'U238',
+        'U236',
+        'O16',
+        'O17',
+        'I135',
+        'Xe135',
+        'Xe136',
+        'Cs135',
+        'Gd157',
+        'Gd156']
+    reactions = ['fission', '(n,gamma)']
+    # These values are placeholders and are not at all
+    # physically meaningful.
+    data = np.array([[0.1, 0.],
+                     [0.1, 0.],
+                     [0.9, 0.],
+                     [0.4, 0.],
+                     [0., 0.],
+                     [0., 0.],
+                     [0., 0.1],
+                     [0., 0.9],
+                     [0., 0.],
+                     [0., 0.],
+                     [0., 0.1],
+                     [0., 0.1]])
+
+    MicroXS.from_array(nuclides, reactions, data)
+    with pytest.raises(ValueError, match=r'Nuclides list of length \d* and '
+                       r'reactions array of length \d* do not '
+                       r'match dimensions of data array of shape \(\d*\,d*\)'):
+        MicroXS.from_array(nuclides, reactions, data[:, 0])
+
+def test_csv():
+    ref_xs = MicroXS.from_csv(ONE_GROUP_XS)
+    ref_xs.to_csv('temp_xs.csv')
+    temp_xs = MicroXS.from_csv('temp_xs.csv')
+    assert ref_xs._units == temp_xs._units
+    assert np.all(ref_xs == temp_xs)
+    remove('temp_xs.csv')
+

From 25ab9d28ce0c45f886639681aa9233eb1a2dfac1 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 29 Jul 2022 00:47:27 +0100
Subject: [PATCH 0698/2654] Apply suggestions from @paulromano

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/mesh.py                       |  6 +++---
 src/state_point.cpp                  |  1 -
 tests/unit_tests/mesh_to_vtk/test.py | 11 +++++------
 3 files changed, 8 insertions(+), 10 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 9c837fd8e..211c4075d 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -1485,7 +1485,7 @@ class UnstructuredMesh(MeshBase):
     element_types : Iterable of integers
         Mesh element types
 
-        .. versionadded:: 0.13
+        .. versionadded:: 0.13.1
     total_volume : float
         Volume of the unstructured mesh in total
     """
@@ -1770,8 +1770,8 @@ class UnstructuredMesh(MeshBase):
 
         vertices = group['vertices'][()]
         mesh._vertices = vertices.reshape((-1, 3))
-        connectvity = group['connectivity'][()]
-        mesh._connectivity = connectvity.reshape((-1, 8))
+        connectivity = group['connectivity'][()]
+        mesh._connectivity = connectivity.reshape((-1, 8))
         mesh._element_types = group['element_types'][()]
 
         if 'length_multiplier' in group:
diff --git a/src/state_point.cpp b/src/state_point.cpp
index b4200ffe2..11c93447d 100644
--- a/src/state_point.cpp
+++ b/src/state_point.cpp
@@ -812,7 +812,6 @@ void write_unstructured_mesh_results()
       auto umesh =
         dynamic_cast<UnstructuredMesh*>(model::meshes[mesh_idx].get());
 
-
       if (!umesh)
         continue;
 
diff --git a/tests/unit_tests/mesh_to_vtk/test.py b/tests/unit_tests/mesh_to_vtk/test.py
index 4ac875002..d9f050226 100644
--- a/tests/unit_tests/mesh_to_vtk/test.py
+++ b/tests/unit_tests/mesh_to_vtk/test.py
@@ -17,11 +17,10 @@ def ids_func(param):
 test_params = (['libmesh', 'moab'],
                ['tets', 'hexes'])
 
-test_cases = []
-for library, elem_type in product(*test_params):
-    test_case = {'library' : library,
-                 'elem_type' : elem_type}
-    test_cases.append(test_case)
+test_cases = [
+    {'library' : library, 'elem_type' : elem_type}
+    for library, elem_type in product(*test_params)
+]
 
 @pytest.mark.parametrize("test_opts", test_cases, ids=ids_func)
 def test_unstructured_mesh_to_vtk(run_in_tmpdir, request, test_opts):
@@ -60,7 +59,7 @@ def test_unstructured_mesh_to_vtk(run_in_tmpdir, request, test_opts):
     with openmc.StatePoint(sp_file) as sp:
         umesh = sp.meshes[umesh.id]
 
-    test_data = {'ids' : np.arange(umesh.n_elements)}
+    test_data = {'ids': np.arange(umesh.n_elements)}
     umesh.write_data_to_vtk('umesh.vtk',
                             datasets=test_data,
                             volume_normalization=False)

From 4564607eff50e69c77071e52ff71242d1d0a6083 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 28 Jul 2022 18:48:11 -0500
Subject: [PATCH 0699/2654] Addressing comments from @paulromano

---
 docs/source/io_formats/statepoint.rst |  6 ++++--
 openmc/mesh.py                        | 19 +++++++++++++------
 src/mesh.cpp                          |  2 +-
 3 files changed, 18 insertions(+), 9 deletions(-)

diff --git a/docs/source/io_formats/statepoint.rst b/docs/source/io_formats/statepoint.rst
index f96d7181d..26dbd9c2e 100644
--- a/docs/source/io_formats/statepoint.rst
+++ b/docs/source/io_formats/statepoint.rst
@@ -80,8 +80,10 @@ The current version of the statepoint file format is 17.0.
              dimension.
            - **Unstructured Mesh Only:**
               - **volumes** (*double[]*) -- Volume of each mesh cell.
-              - **centroids** (*double[]*) -- Location of the mesh cell
-                centroids.
+              - **vertices** (*double[]*) -- Location of the mesh vertices.
+              - **connectivity** (*int[]*) -- Connectivity array for the mesh
+                cells.
+              - **element_types** (*int[]*) -- Mesh element types.
 
 **/tallies/filters/**
 
diff --git a/openmc/mesh.py b/openmc/mesh.py
index 211c4075d..f2aced9f8 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -1477,7 +1477,7 @@ class UnstructuredMesh(MeshBase):
 
         .. versionadded:: 0.13
 
-    connectivity : np.ndarray (8, n_elements)
+    connectivity : np.ndarray (n_elements, 8)
         Connectivity of the elements
 
         .. versionadded:: 0.13
@@ -1633,6 +1633,17 @@ class UnstructuredMesh(MeshBase):
 
     def centroid(self, bin):
         """Return the vertex averaged centroid of an element
+
+        Parameters
+        ----------
+        bin : int
+            Bin ID for the returned centroid 
+        
+        Returns
+        -------
+        numpy.ndarray
+            x, y, z values of the element centroid
+
         """
         conn = self.connectivity[bin]
         coords = self.vertices[conn]
@@ -1749,11 +1760,7 @@ class UnstructuredMesh(MeshBase):
                     arr.SetTuple1(i, data.flat[i])
                 grid.GetCellData().AddArray(arr)
 
-        if vtk.VTK_MAJOR_VERSION == 5:
-            grid.update()
-            writer.SetInput(grid)
-        else:
-            writer.SetInputData(grid)
+        writer.SetInputData(grid)
 
         writer.Write()
 
diff --git a/src/mesh.cpp b/src/mesh.cpp
index e701f954e..df5c7f2b3 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -256,7 +256,7 @@ void UnstructuredMesh::to_hdf5(hid_t group) const
     } else {
       num_elem_skipped++;
       xt::view(elem_types, i, xt::all()) = static_cast<int>(ElementType::UNSUPPORTED);
-      xt::view(connectivity, i, xt::all()) = xt::xarray<int>({-1, -1, -1, -1, -1, -1, -1, -1});
+      xt::view(connectivity, i, xt::all()) = -1;
     }
   }
 

From 8e747cc8747410326da04fbd4fcebc587a4a0081 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 29 Jul 2022 00:51:25 +0100
Subject: [PATCH 0700/2654] Apply suggestion from @paulromano

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/mesh.py | 18 ++++++++----------
 1 file changed, 8 insertions(+), 10 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 211c4075d..d7ea4bc11 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -1469,19 +1469,17 @@ class UnstructuredMesh(MeshBase):
         be generated for this mesh
     volumes : Iterable of float
         Volumes of the unstructured mesh elements
-    centroids : np.narray (3, n_elements)
-        Centroids of the mesh elements
+    centroids : numpy.ndarray
+        Centroids of the mesh elements with array shape (3, n_elements)
 
-    vertices : np.ndarray (3,)
-        Coordinates of the mesh vertices
+    vertices : numpy.ndarray
+        Coordinates of the mesh vertices with array shape (3, n_elements)
 
-        .. versionadded:: 0.13
-
-    connectivity : np.ndarray (8, n_elements)
-        Connectivity of the elements
-
-        .. versionadded:: 0.13
+        .. versionadded:: 0.13.1
+    connectivity : numpy.ndarray 
+        Connectivity of the elements with array shape (8, n_elements)
 
+        .. versionadded:: 0.13.1
     element_types : Iterable of integers
         Mesh element types
 

From 044c28d6519b76ef72d8c4b79f48f0faeff78fd7 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 28 Jul 2022 18:50:21 -0500
Subject: [PATCH 0701/2654] Applying clang-format

---
 src/mesh.cpp        | 8 ++++++--
 src/state_point.cpp | 3 ++-
 2 files changed, 8 insertions(+), 3 deletions(-)

diff --git a/src/mesh.cpp b/src/mesh.cpp
index df5c7f2b3..aa35f3064 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -262,8 +262,12 @@ void UnstructuredMesh::to_hdf5(hid_t group) const
 
   // warn users that some elements were skipped
   if (num_elem_skipped > 0) {
-    warning(fmt::format("The connectivity of {} elements on mesh {} were not written "
-                        "because they are not of type linear tet/hex.", num_elem_skipped, this->id_));
+    warning(fmt::format(
+      "The connectivity of {} elements
+      on mesh {} were not written
+      "
+      "because they are not of type linear tet/hex.",
+      num_elem_skipped, this->id_));
   }
 
   write_dataset(mesh_group, "volumes", volumes);
diff --git a/src/state_point.cpp b/src/state_point.cpp
index 11c93447d..3b217a658 100644
--- a/src/state_point.cpp
+++ b/src/state_point.cpp
@@ -820,7 +820,8 @@ void write_unstructured_mesh_results()
 
       if (umesh->library() == "moab") {
         if (mpi::master)
-        warning(fmt::format("Output for a MOAB mesh (mesh {}) was requested but will not be written. Please use the Python API to generated the desired VTK tetrahedral mesh.", umesh->id_));
+        warning(fmt::format("Output for a MOAB mesh (mesh {}) was 
+        requested but will not be written. Please use the Python API to generated the desired VTK tetrahedral mesh.", umesh->id_));
         continue;
       }
 

From 2edd390d30d98c64282268034a469e0e607b0df3 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 28 Jul 2022 18:56:19 -0500
Subject: [PATCH 0702/2654] Newline at end of test file

---
 tests/unit_tests/mesh_to_vtk/test.py | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/tests/unit_tests/mesh_to_vtk/test.py b/tests/unit_tests/mesh_to_vtk/test.py
index d9f050226..c433913ee 100644
--- a/tests/unit_tests/mesh_to_vtk/test.py
+++ b/tests/unit_tests/mesh_to_vtk/test.py
@@ -66,4 +66,5 @@ def test_unstructured_mesh_to_vtk(run_in_tmpdir, request, test_opts):
 
     # compare file content with reference file
     ref_file = Path(f"{test_opts['library']}_{test_opts['elem_type']}_ref.vtk")
-    assert filecmp.cmp('umesh.vtk', request.node.path.parent / ref_file)
\ No newline at end of file
+    assert filecmp.cmp('umesh.vtk', request.node.path.parent / ref_file)
+    
\ No newline at end of file

From d5e963220601df0739449172cd249b24cf66c538 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 28 Jul 2022 19:19:39 -0500
Subject: [PATCH 0703/2654] Updating statepoint doc a bit

---
 docs/source/io_formats/statepoint.rst | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/docs/source/io_formats/statepoint.rst b/docs/source/io_formats/statepoint.rst
index 26dbd9c2e..28a6849fd 100644
--- a/docs/source/io_formats/statepoint.rst
+++ b/docs/source/io_formats/statepoint.rst
@@ -80,7 +80,7 @@ The current version of the statepoint file format is 17.0.
              dimension.
            - **Unstructured Mesh Only:**
               - **volumes** (*double[]*) -- Volume of each mesh cell.
-              - **vertices** (*double[]*) -- Location of the mesh vertices.
+              - **vertices** (*double[]*) -- x, y, z values of the mesh vertices.
               - **connectivity** (*int[]*) -- Connectivity array for the mesh
                 cells.
               - **element_types** (*int[]*) -- Mesh element types.

From bdf6de5e516bc18a38f786cb09981905c74379fd Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 28 Jul 2022 19:21:17 -0500
Subject: [PATCH 0704/2654] EOL for test

---
 tests/unit_tests/mesh_to_vtk/test.py | 1 -
 1 file changed, 1 deletion(-)

diff --git a/tests/unit_tests/mesh_to_vtk/test.py b/tests/unit_tests/mesh_to_vtk/test.py
index c433913ee..5f6cd6a41 100644
--- a/tests/unit_tests/mesh_to_vtk/test.py
+++ b/tests/unit_tests/mesh_to_vtk/test.py
@@ -67,4 +67,3 @@ def test_unstructured_mesh_to_vtk(run_in_tmpdir, request, test_opts):
     # compare file content with reference file
     ref_file = Path(f"{test_opts['library']}_{test_opts['elem_type']}_ref.vtk")
     assert filecmp.cmp('umesh.vtk', request.node.path.parent / ref_file)
-    
\ No newline at end of file

From 7b083c7b0ce68b1a615ef3df521f6d253a1c20bc Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 29 Jul 2022 02:03:03 -0500
Subject: [PATCH 0705/2654] Fixing output message syntax

---
 src/mesh.cpp        | 8 +++-----
 src/state_point.cpp | 7 +++++--
 2 files changed, 8 insertions(+), 7 deletions(-)

diff --git a/src/mesh.cpp b/src/mesh.cpp
index aa35f3064..a8ee8e73f 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -262,11 +262,9 @@ void UnstructuredMesh::to_hdf5(hid_t group) const
 
   // warn users that some elements were skipped
   if (num_elem_skipped > 0) {
-    warning(fmt::format(
-      "The connectivity of {} elements
-      on mesh {} were not written
-      "
-      "because they are not of type linear tet/hex.",
+    warning(fmt::format("The connectivity of {} elements "
+                        "on mesh {} were not written "
+                        "because they are not of type linear tet/hex.",
       num_elem_skipped, this->id_));
   }
 
diff --git a/src/state_point.cpp b/src/state_point.cpp
index 3b217a658..648d1a249 100644
--- a/src/state_point.cpp
+++ b/src/state_point.cpp
@@ -820,8 +820,11 @@ void write_unstructured_mesh_results()
 
       if (umesh->library() == "moab") {
         if (mpi::master)
-        warning(fmt::format("Output for a MOAB mesh (mesh {}) was 
-        requested but will not be written. Please use the Python API to generated the desired VTK tetrahedral mesh.", umesh->id_));
+          warning(fmt::format(
+            "Output for a MOAB mesh (mesh {}) was "
+            "requested but will not be written. Please use the Python "
+            "API to generated the desired VTK tetrahedral mesh.",
+            umesh->id_));
         continue;
       }
 

From 9413e4699899dd9d19c6b583c67bcbfee2c86ea3 Mon Sep 17 00:00:00 2001
From: myerspat <myerspat@umich.edu>
Date: Fri, 29 Jul 2022 11:15:53 -0500
Subject: [PATCH 0706/2654] changed break conditions for short ciruciting

---
 src/cell.cpp | 34 +++++++++++++++-------------------
 1 file changed, 15 insertions(+), 19 deletions(-)

diff --git a/src/cell.cpp b/src/cell.cpp
index 633cf1bc0..f2e4444d4 100644
--- a/src/cell.cpp
+++ b/src/cell.cpp
@@ -107,15 +107,14 @@ vector<int32_t> tokenize(const std::string region_spec)
   return tokens;
 }
 
-
 //==============================================================================
-//! Add precedence for infix cell finding so intersections have higher 
+//! Add precedence for infix cell finding so intersections have higher
 //! precedence than unions using parenthesis.
 //==============================================================================
 
-std::vector<int32_t>::iterator
-add_parenthesis(std::vector<int32_t>::iterator start,
-                std::vector<int32_t> &infix) {
+std::vector<int32_t>::iterator add_parenthesis(
+  std::vector<int32_t>::iterator start, std::vector<int32_t>& infix)
+{
   // Add left parenthesis
   start = infix.insert(start, OP_LEFT_PAREN);
   start = start + 2;
@@ -131,7 +130,7 @@ add_parenthesis(std::vector<int32_t>::iterator start,
     // If we find a union or right parenthesis not wrapped by
     // left and right parenthesis then place a right parenthesis,
     // If we find a wrapped region return an iterator pointing to
-    // that wrapped region and continue looking to place a 
+    // that wrapped region and continue looking to place a
     // right parenthesis
     if (*start == OP_UNION || *start == OP_RIGHT_PAREN) {
       start = infix.insert(start, OP_RIGHT_PAREN);
@@ -149,7 +148,8 @@ add_parenthesis(std::vector<int32_t>::iterator start,
   return return_iterator;
 }
 
-void add_precedence(std::vector<int32_t> &infix) {
+void add_precedence(std::vector<int32_t>& infix)
+{
   int32_t current_op = 0;
 
   for (auto it = infix.begin(); it != infix.end(); it++) {
@@ -861,20 +861,16 @@ bool CSGCell::contains_complex(
         it++;
         int32_t next_token = *it;
 
-        // If the next token is a left parenthesis skip until
-        // the next right parenthesis, if the token is a right
-        // parenthesis leave short circuiting, if we go from 
-        // intersections to union operators without parenthesis
-        // break shortc circuiting one behind the union
-        if (next_token >= OP_UNION) {
+        // If the next token is an operator and is not the same as the one that
+        // started the short circuiting, check if it is a left parenthesis to
+        // skip a section or break
+        if (next_token >= OP_UNION && token != next_token) {
           if (next_token == OP_LEFT_PAREN) {
-            it = std::find(it, region_no_complements_.end() - 1, OP_RIGHT_PAREN);
-          } else if (token == OP_RIGHT_PAREN) {
+            it =
+              std::find(it, region_no_complements_.end() - 1, OP_RIGHT_PAREN);
+          } else {
             break;
-          } else if (token - next_token == 1) {
-            it--;
-            break;
-          } 
+          }
         }
       } while (it < region_no_complements_.end() - 1);
     }

From d7904f7a137196b582b47b2e2d1b24f183ec7dd0 Mon Sep 17 00:00:00 2001
From: myerspat <myerspat@umich.edu>
Date: Fri, 29 Jul 2022 13:29:21 -0500
Subject: [PATCH 0707/2654] now can handle multiple depths of parenthesis

---
 src/cell.cpp | 13 +++++++++++--
 1 file changed, 11 insertions(+), 2 deletions(-)

diff --git a/src/cell.cpp b/src/cell.cpp
index f2e4444d4..fc19c1c49 100644
--- a/src/cell.cpp
+++ b/src/cell.cpp
@@ -866,8 +866,17 @@ bool CSGCell::contains_complex(
         // skip a section or break
         if (next_token >= OP_UNION && token != next_token) {
           if (next_token == OP_LEFT_PAREN) {
-            it =
-              std::find(it, region_no_complements_.end() - 1, OP_RIGHT_PAREN);
+            int depth = 1;
+            while (depth > 0) {
+              it++;
+              if (*it > OP_COMPLEMENT) {
+                if (*it == OP_RIGHT_PAREN) {
+                  depth--;
+                } else {
+                  depth++;
+                }
+              }
+            }
           } else {
             break;
           }

From 5bd2a14a2cd021594b52fe90a9475e145f1838a5 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 29 Jul 2022 15:30:35 -0500
Subject: [PATCH 0708/2654] Adding missing datasets to the statepoint docs

---
 docs/source/io_formats/statepoint.rst | 4 ++++
 1 file changed, 4 insertions(+)

diff --git a/docs/source/io_formats/statepoint.rst b/docs/source/io_formats/statepoint.rst
index 28a6849fd..c1598f2c3 100644
--- a/docs/source/io_formats/statepoint.rst
+++ b/docs/source/io_formats/statepoint.rst
@@ -79,6 +79,10 @@ The current version of the statepoint file format is 17.0.
            - **width** (*double[]*) -- Width of each mesh cell in each
              dimension.
            - **Unstructured Mesh Only:**
+              - **filename** (*char[]*) -- Name of the mesh file.
+              - **library** (*char[]*) -- Mesh library used to represent the 
+                                          mesh ("moab" or "libmesh").
+              - **length_multiplier** (*double*) Scaling factor applied to the mesh.
               - **volumes** (*double[]*) -- Volume of each mesh cell.
               - **vertices** (*double[]*) -- x, y, z values of the mesh vertices.
               - **connectivity** (*int[]*) -- Connectivity array for the mesh

From 647863c7ace4c6c5736ae75ba04c82b258897b41 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 29 Jul 2022 15:33:29 -0500
Subject: [PATCH 0709/2654] Removing centroids setter

---
 openmc/mesh.py | 7 -------
 1 file changed, 7 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 2b405bf6a..bb559a383 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -1594,13 +1594,6 @@ class UnstructuredMesh(MeshBase):
         cv.check_type('Number of elements', val, Integral)
         self._n_elements = val
 
-
-    @centroids.setter
-    def centroids(self, centroids):
-        cv.check_type("Unstructured mesh centroids", centroids,
-                      Iterable, Real)
-        self._centroids = centroids
-
     @property
     def length_multiplier(self):
         return self._length_multiplier

From a3e2fcdcca22184f87ecf8ebbdddecf770360057 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 29 Jul 2022 15:34:23 -0500
Subject: [PATCH 0710/2654] Correcting dimensions of attributes in um
 docstrings

---
 openmc/mesh.py | 6 +++---
 1 file changed, 3 insertions(+), 3 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index bb559a383..daff4dedc 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -1470,14 +1470,14 @@ class UnstructuredMesh(MeshBase):
     volumes : Iterable of float
         Volumes of the unstructured mesh elements
     centroids : numpy.ndarray
-        Centroids of the mesh elements with array shape (3, n_elements)
+        Centroids of the mesh elements with array shape (n_elements, 3)
 
     vertices : numpy.ndarray
-        Coordinates of the mesh vertices with array shape (3, n_elements)
+        Coordinates of the mesh vertices with array shape (n_elements, 3)
 
         .. versionadded:: 0.13.1
     connectivity : numpy.ndarray 
-        Connectivity of the elements with array shape (8, n_elements)
+        Connectivity of the elements with array shape (n_elements, 8)
 
         .. versionadded:: 0.13.1
     element_types : Iterable of integers

From effc35b8eed3c33c63a56fdead9120143f5551ed Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Fri, 29 Jul 2022 18:21:06 -0500
Subject: [PATCH 0711/2654] add_elements_or_nuclides -> add_components -
 changed the assumptions the function makes about the 'components'   parameter
 - added 'percent_type' parameter - passed changes to unit test

---
 openmc/material.py                | 48 ++++++++++++++++++-----------
 tests/unit_tests/test_material.py | 50 +++++++++++++++++++------------
 2 files changed, 62 insertions(+), 36 deletions(-)

diff --git a/openmc/material.py b/openmc/material.py
index 14bec12f3..9ba7360ff 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -35,7 +35,7 @@ class Material(IDManagerMixin):
     nuclides or elements with :meth:`Material.add_nuclide` or
     :meth:`Material.add_element`, respectively, and set the total material
     density with :meth:`Material.set_density()`. Alternatively, you can
-    use :meth:`Material.add_elements_or_nuclides()` to pass a dictionary
+    use :meth:`Material.add_components()` to pass a dictionary
     containing all the component information. The material can then be
     assigned to a cell using the :attr:`Cell.fill` attribute.
 
@@ -405,41 +405,55 @@ class Material(IDManagerMixin):
 
         self._nuclides.append(NuclideTuple(nuclide, percent, percent_type))
 
-    def add_elements_or_nuclides(self, components: dict):
+    def add_components(self, components: dict, percent_type: str = 'ao'):
         """ Add multiple elements or nuclides to a material
 
         Parameters
         ----------
-        components : dict of str to tuple
-            Dictionary mapping element or nuclide names to a tuple containing
-            their atom or weight percent, as well as any other arguments.
+        components : dict of str to float or dict
+            Dictionary mapping element or nuclide names to their atom or weight
+            percent. To specify enrichment of an element, the entry of
+            ``components`` for that element must instead be a dictionary
+            containing the keyword arguments as well as a value for
+            ``'percent'``
+        percent_type : {'ao', 'wo'}
+            'ao' for atom percent and 'wo' for weight percent
 
         Examples
         --------
         >>> mat = openmc.Material()
-        >>> components  = {'Li': (1.0, {'enrichment': 60.0, 'enrichment_target': 'Li7'}),
-        >>>               'Fl': 1.0,
-        >>>               'Be6': (0.5, 'wo')}
-        >>> mat.add_elements_or_nuclides(components)
+        >>> components  = {'Li': {'percent': 1.0,
+        >>>                       'enrichment': 60.0,
+        >>>                       'enrichment_target': 'Li7'},
+        >>>                'Fl': 1.0,
+        >>>                'Be6': 0.5}
+        >>> mat.add_components(components)
 
         """
 
-        for component, args in components.items():
+        for component, params in components.items():
             cv.check_type('component', component, str)
-            percent_type = 'ao'
-            if isinstance(args, float):
-                args = (args,)
+            if isinstance(params, float):
+                params = {'percent': params}
+
+            else:
+                cv.check_type('params', params, dict)
+                if 'percent' not in params:
+                    raise ValueError("An entry in the dictionary does not have "
+                                     "a required key: 'percent'")
+
+            percent = params.pop('percent')
+            args = (percent, percent_type)
 
             ## check if nuclide
             if str.isdigit(component[-1]):
                 self.add_nuclide(component, *args)
             else: # is element
-                kwargs = {}
-                if isinstance(args[-1], dict):
-                    kwargs = args[-1]
-                    args = args[:-1]
+                kwargs = params
                 self.add_element(component, *args, **kwargs)
 
+            params['percent'] = percent
+
     def remove_nuclide(self, nuclide: str):
         """Remove a nuclide from the material
 
diff --git a/tests/unit_tests/test_material.py b/tests/unit_tests/test_material.py
index 69ca87f2e..2c5cc2874 100644
--- a/tests/unit_tests/test_material.py
+++ b/tests/unit_tests/test_material.py
@@ -25,39 +25,51 @@ def test_add_nuclide():
     with pytest.raises(ValueError):
         m.add_nuclide('H1', 1.0, 'oa')
 
-def test_add_elements_or_nuclides():
+def test_add_components():
     """Test adding multipe elements or nuclides at once"""
     m = openmc.Material()
     components = {'H1': 2.0,
-                'O16': (1.0, 'wo'),
-                'Zr': 1.0,
-                'O': (1.0, 'wo'),
-                'U': (1.0, {'enrichment': 4.5}),
-                'Li': (1.0, 'ao', {'enrichment': 60.0, 'enrichment_target': 'Li7'}),
-                'H': (1.0, 'ao', {'enrichment': 50.0, 'enrichment_target': 'H2', 'enrichment_type': 'wo'})}
-    m.add_elements_or_nuclides(components)
+                  'O16': 1.0,
+                  'Zr': 1.0,
+                  'O': 1.0,
+                  'U': {'percent': 1.0,
+                        'enrichment': 4.5},
+                  'Li': {'percent': 1.0,
+                         'enrichment': 60.0,
+                         'enrichment_target': 'Li7'},
+                  'H': {'percent': 1.0,
+                        'enrichment': 50.0,
+                        'enrichment_target': 'H2',
+                        'enrichment_type': 'wo'}}
+    m.add_components(components)
     with pytest.raises(ValueError):
-        m.add_elements_or_nuclides({'U': (1.0, 'ao', {'enrichment': 100.0})})
+        m.add_components({'U': {'percent': 1.0,
+                                'enrichment': 100.0}})
     with pytest.raises(ValueError):
-        m.add_elements_or_nuclides({'Pu': (1.0, 'ao', {'enrichment': 3.0})})
+        m.add_components({'Pu': {'percent': 1.0,
+                                 'enrichment': 3.0}})
     with pytest.raises(ValueError):
-        m.add_elements_or_nuclides({'U': (1.0, 'ao', {'enrichment': 70.0, 'enrichment_target': 'U235'})})
+        m.add_components({'U': {'percent': 1.0,
+                                'enrichment': 70.0,
+                                'enrichment_target':'U235'}})
     with pytest.raises(ValueError):
-        m.add_elements_or_nuclides({'He': (1.0, 'ao', {'enrichment': 17.0, 'enrichment_target': 'He6'})})
+        m.add_components({'He': {'percent': 1.0,
+                                 'enrichment': 17.0,
+                                 'enrichment_target': 'He6'}})
     with pytest.raises(ValueError):
-        m.add_elements_or_nuclides({'li': (1.0, 'ao')})  # should fail as 1st char is lowercase
+        m.add_components({'li': 1.0})  # should fail as 1st char is lowercase
     with pytest.raises(ValueError):
-        m.add_elements_or_nuclides({'LI': (1.0, 'ao')})  # should fail as 2nd char is uppercase
+        m.add_components({'LI': 1.0})  # should fail as 2nd char is uppercase
     with pytest.raises(ValueError):
-        m.add_elements_or_nuclides({'Xx': (1.0, 'ao')})  # should fail as Xx is not an element
+        m.add_components({'Xx': 1.0})  # should fail as Xx is not an element
     with pytest.raises(ValueError):
-        m.add_elements_or_nuclides({'n': (1.0, 'ao')})  # check to avoid n for neutron being accepted
+        m.add_components({'n': 1.0})  # check to avoid n for neutron being accepted
     with pytest.raises(TypeError):
-        m.add_elements_or_nuclides({'H1': ('1.0', 'ao')})
+        m.add_components({'H1': '1.0'})
     with pytest.raises(TypeError):
-        m.add_elements_or_nuclides({1.0: ('H1', 'wo')})
+        m.add_components({1.0: 'H1'}, percent_type = 'wo')
     with pytest.raises(ValueError):
-        m.add_elements_or_nuclides({'H1': (1.0, 'oa')})
+        m.add_components({'H1': 1.0}, percent_type = 'oa')
 
 
 def test_remove_nuclide():

From ea1e2d02c42465413341eb841f9ab5e3fa559260 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Fri, 29 Jul 2022 22:59:47 -0500
Subject: [PATCH 0712/2654] Adjust docpages to accomodate new
 transport-independent depletion scheme.

---
 docs/source/methods/depletion.rst    |  81 ++++----
 docs/source/pythonapi/deplete.rst    |  27 +--
 docs/source/usersguide/depletion.rst | 284 ++++++++++++++++++---------
 3 files changed, 248 insertions(+), 144 deletions(-)

diff --git a/docs/source/methods/depletion.rst b/docs/source/methods/depletion.rst
index dce1f2503..0e06b3a50 100644
--- a/docs/source/methods/depletion.rst
+++ b/docs/source/methods/depletion.rst
@@ -103,16 +103,16 @@ integrate over the entire timestep.
 Our aim here is not to exhaustively describe all integration methods but rather
 to give a few examples that elucidate the main considerations one must take into
 account when choosing a method. Generally, there is a tradeoff between the
-accuracy of the method and its computational expense. The expense is driven
-almost entirely by the time to compute a transport solution, i.e., to evaluate
-:math:`\mathbf{A}` for a given :math:`\mathbf{n}`. Thus, the cost of a method
-scales with the number of :math:`\mathbf{A}` evaluations that are performed per
-timestep. On the other hand, methods that require more evaluations generally
-achieve higher accuracy. The predictor method only requires one evaluation and
-its error converges as :math:`\mathcal{O}(h)`. The CE/CM method requires two
-evaluations and is thus twice as expensive as the predictor method, but achieves
-an error of :math:`\mathcal{O}(h^2)`. An exhaustive description of time
-integration methods and their merits can be found in the `thesis of Colin Josey
+accuracy of the method and its computational expense. In the case of
+transport-coupled depletion, the expense is driven almost entirely by the time
+to compute a transport solution, i.e., to evaluate :math:`\mathbf{A}` for a
+given :math:`\mathbf{n}`. Thus, the cost of a method scales with the number of
+:math:`\mathbf{A}` evaluations that are performed per timestep. On the other
+hand, methods that require more evaluations generally achieve higher accuracy. The predictor method only requires one evaluation and its error converges as
+:math:`\mathcal{O}(h)`. The CE/CM method requires two evaluations and is thus
+twice as expensive as the predictor method, but achieves an error of
+:math:`\mathcal{O}(h^2)`. An exhaustive description of time integration methods
+and their merits can be found in the `thesis of Colin Josey
 <http://dspace.mit.edu/handle/1721.1/7582>`_.
 
 OpenMC does not rely on a single time integration method but rather has several
@@ -169,12 +169,14 @@ Data Considerations
 
 In principle, solving Eq. :eq:`depletion-matrix` using CRAM is fairly simple:
 just construct the burnup matrix at various times and solve a set of sparse
-linear systems. However, constructing the burnup matrix itself involves not only
-solving the transport equation to estimate transmutation reaction rates but also
-a series of choices about what data to include. In OpenMC, the burnup matrix is
-constructed based on data inside of a *depletion chain* file, which includes
-fundamental data gathered from ENDF incident neutron, decay, and fission product
-yield sublibraries. For each nuclide, this file includes:
+linear systems. However, constructing the burnup matrix itself involves not
+only solving the transport equation to estimate transmutation reaction rates
+(in the case of transport-coupled depletion) or to obtain microscopic cross
+sections (in the case of transport-independent depletion), but also a series of
+choices about what data to include. In OpenMC, the burnup matrix is constructed
+based on data inside of a *depletion chain* file, which includes fundamental
+data gathered from ENDF incident neutron, decay, and fission product yield
+sublibraries. For each nuclide, this file includes:
 
 - What transmutation reactions are possible, their Q values, and their products;
 - If a nuclide is not stable, what decay modes are possible, their branching
@@ -185,9 +187,12 @@ yield sublibraries. For each nuclide, this file includes:
 Transmutation Reactions
 -----------------------
 
-OpenMC will setup tallies in a problem based on what transmutation reactions are
-available in a depletion chain file, so any arbitrary number of transmutation
-reactions can be tracked. The pregenerated chain files that are available on
+In transport-coupled depletion, OpenMC will setup tallies in a problem based on
+what transmutation reactions are available in a depletion chain file, so any
+arbitrary number of transmutation reactions can be tracked. In
+transport-independent depletion, OpenMC will calculate reaction rates for every
+reaction that is present in both the available cross sections and the depletion
+chain file. The pregenerated chain files that are available on
 https://openmc.org include the following transmutation reactions: fission, (n,\
 :math:`\gamma`\ ), (n,2n), (n,3n), (n,4n), (n,p), and (n,\ :math:`\alpha`\ ).
 
@@ -202,11 +207,12 @@ accurately model the branching of the capture reaction in Am241. This is
 complicated by the fact that the branching ratio may depend on the incident
 neutron energy causing capture.
 
-OpenMC does not currently allow energy-dependent capture branching ratios.
-However, the depletion chain file does allow a transmutation reaction to be
-listed multiple times with different branching ratios resulting in different
-products. Spectrum-averaged capture branching ratios have been computed in LWR
-and SFR spectra and are available at https://openmc.org/depletion-chains.
+OpenMC's transport solver does not currently allow energy-dependent capture
+branching ratios. However, the depletion chain file does allow a transmutation
+reaction to be listed multiple times with different branching ratios resulting
+in different products. Spectrum-averaged capture branching ratios have been
+computed in LWR and SFR spectra and are available at
+https://openmc.org/depletion-chains.
 
 Fission Product Yields
 ----------------------
@@ -217,26 +223,31 @@ energies. It is an open question as to what the best way to handle this energy
 dependence is. OpenMC includes three methods for treating the energy dependence
 of FPY:
 
-1. Use FPY data corresponding to a specified energy.
+1. Use FPY data corresponding to a specified energy. This is used by default in
+   both transport-coupled and transport-independent depletion.
 2. Tally fission rates above and below a specified cutoff energy. Assume that
    all fissions below the cutoff energy correspond to thermal FPY data and all
-   fission above the cutoff energy correspond to fast FPY data.
+   fission above the cutoff energy correspond to fast FPY data. Only applicable
+   to transport-coupled depletion.
 3. Compute the average energy at which fission events occur and use an effective
    FPY by linearly interpolating between FPY provided at neighboring energies.
+   Only applicable to transport-coupled depletion
 
-The method can be selected through the ``fission_yield_mode`` argument to the
-:class:`openmc.deplete.Operator` constructor.
+The method for transport-coupled depletion can be selected through the
+``fission_yield_mode`` argument to the :class:`openmc.deplete.Operator`
+constructor.
 
 Power Normalization
 -------------------
 
-The reaction rates provided OpenMC are given in units of reactions per source
-particle. For depletion, it is necessary to compute an absolute reaction rate in
-reactions per second. To do so, the reaction rates are normalized based on a
-specified power. A complete description of how this normalization can be
-performed is described in :ref:`usersguide_tally_normalization`. Here, we simply
-note that the main depletion class, :class:`openmc.deplete.Operator`, allows the
-user to choose one of two methods for estimating the heating rate, including:
+In transport-coupled depletion, the reaction rates provided OpenMC are given in
+units of reactions per source particle. For depletion, it is necessary to
+compute an absolute reaction rate in reactions per second. To do so, the
+reaction rates are normalized based on a specified power. A complete
+description of how this normalization can be performed is described in
+:ref:`usersguide_tally_normalization`. Here, we simply note that the main
+depletion class, :class:`openmc.deplete.Operator`, allows the user to choose
+one of two methods for estimating the heating rate, including:
 
 1. Using fixed Q values from a depletion chain file (useful for comparisons to
    other codes that use fixed Q values), or
diff --git a/docs/source/pythonapi/deplete.rst b/docs/source/pythonapi/deplete.rst
index 246cea59f..cc36a17c7 100644
--- a/docs/source/pythonapi/deplete.rst
+++ b/docs/source/pythonapi/deplete.rst
@@ -12,19 +12,20 @@ Primary API
 The two primary requirements to perform depletion with :mod:`openmc.deplete`
 are:
 
-    1) A transport operator
+    1) A reaction rate operator
     2) A time-integration scheme
 
-The former is responsible for executing a transport code, like OpenMC,
-and retaining important information required for depletion. The most common examples
-are reaction rates and power normalization data. The latter is responsible for
-projecting reaction rates and compositions forward in calendar time across
-some step size :math:`\Delta t`, and obtaining new compositions given a power
-or power density. The :class:`Operator` is provided to handle communicating with
-OpenMC. Several classes are provided that implement different time-integration
-algorithms for depletion calculations, which are described in detail in Colin
-Josey's thesis, `Development and analysis of high order neutron
-transport-depletion coupling algorithms <http://hdl.handle.net/1721.1/113721>`_.
+The former is responsible for obtaining transmuation reaction rates. The latter
+is responsible for projecting reaction rates and compositions forward in
+calendar time across some step size :math:`\Delta t`, and obtaining new
+compositions given a power or power density. The :class:`Operator` class is
+provided to obtain reaction rates via tallies through OpenMC's transport
+solver, and the :class:`IndependentOperator` class is provided to obtain
+reaction rates from cross-section data. Several classes are provided that
+implement different time-integration algorithms for depletion calculations,
+which are described in detail in Colin Josey's thesis, `Development and
+analysis of high order neutron transport-depletion coupling algorithms
+<http://hdl.handle.net/1721.1/113721>`_.
 
 .. autosummary::
     :toctree: generated
@@ -40,8 +41,8 @@ transport-depletion coupling algorithms <http://hdl.handle.net/1721.1/113721>`_.
     SICELIIntegrator
     SILEQIIntegrator
 
-Each of these classes expects a "transport operator" to be passed. Operators
-specific to OpenMC are available using the following classes:
+Each of these classes expects a "reaction rate operator" to be passed. Operators
+provided by OpenMC are available using the following classes:
 
 .. autosummary::
    :toctree: generated
diff --git a/docs/source/usersguide/depletion.rst b/docs/source/usersguide/depletion.rst
index 0bc2a5af9..7409c6610 100644
--- a/docs/source/usersguide/depletion.rst
+++ b/docs/source/usersguide/depletion.rst
@@ -4,23 +4,55 @@
 Depletion and Transmutation
 ===========================
 
-OpenMC supports coupled depletion, or burnup, calculations through the
-:mod:`openmc.deplete` Python module. OpenMC solves the transport equation to
-obtain transmutation reaction rates, and then the reaction rates are used to
-solve a set of transmutation equations that determine the evolution of nuclide
-densities within a material. The nuclide densities predicted as some future time
-are then used to determine updated reaction rates, and the process is repeated
-for as many timesteps as are requested.
+OpenMC supports transport-coupled and transport-independent depletion, or
+burnup, calculations through the :mod:`openmc.deplete` Python module. OpenMC
+uses transmutation reaction rates to solve a set of transmutation equations
+that determine the evolution of nuclide densities within a material. The
+nuclide densities predicted as some future time are then used to determine
+updated reaction rates, and the process is repeated for as many timesteps as
+are requested.
 
-The depletion module is designed such that the flux/reaction rate solution (the
-transport "operator") is completely isolated from the solution of the
-transmutation equations and the method used for advancing time. At present, the
-:mod:`openmc.deplete` module offers a single transport operator,
-:class:`openmc.deplete.Operator` (which uses the OpenMC transport solver), but
-in principle additional operator classes based on other transport codes could be
-implemented and no changes to the depletion solver itself would be needed. The
-operator class requires a :class:`~openmc.Model` instance containing 
-material, geometry, and settings information::
+The depletion module is designed such that the reaction rate solution (the
+"operator") is completely isolated from the solution of the transmutation
+equations and the method used for advancing time. 
+
+:mod:`openmc.deplete` supports multiple time-integration methods for determining
+material compositions over time. Each method appears as a different class.
+For example, :class:`openmc.deplete.CECMIntegrator` runs a depletion calculation
+using the CE/CM algorithm (deplete over a timestep using the middle-of-step
+reaction rates). An instance of :class:`~openmc.deplete.abc.TransportOperator`
+is passed to one of these functions along with the timesteps and power level::
+
+    power = 1200.0e6  # watts
+    timesteps = [10.0, 10.0, 10.0]  # days
+    openmc.deplete.CECMIntegrator(op, timesteps, power, timestep_units='d').integrate()
+
+The depletion problem is executed, and once it is done a
+``depletion_results.h5`` file is written. The results can be analyzed using the
+:class:`openmc.deplete.Results` class. This class has methods that allow for
+easy retrieval of k-effective, nuclide concentrations, and reaction rates over
+time::
+
+    results = openmc.deplete.Results("depletion_results.h5")
+    time, keff = results.get_keff()
+
+Note that the coupling between the reaction rate solver and the transmutation
+solver happens in-memory rather than by reading/writing files on disk. OpenMC has two categories of
+operators for obtaining transmutation reaction rates. 
+
+.. _coupled-depletion:
+
+Transport-coupled depletion
+===========================
+
+This category of operator solves the transport equation to obtain transmutation
+reaction rates. At present, the :mod:`openmc.deplete` module offers a single
+transport-coupled operator, :class:`openmc.deplete.Operator` (which uses the
+OpenMC transport solver), but in principle additional transport-coupled operator
+classes based on other transport codes could be implemented and no changes to
+the depletion solver itself would be needed. The
+:class:`openmc.deplete.Operator` class requires a :class:`~openmc.Model`
+instance containing material, geometry, and settings information::
 
     model = openmc.Model()
     ...
@@ -30,36 +62,14 @@ material, geometry, and settings information::
 Any material that contains a fissionable nuclide is depleted by default, but
 this can behavior can be changed with the :attr:`Material.depletable` attribute.
 
-.. important:: The volume must be specified for each material that is depleted by
-               setting the :attr:`Material.volume` attribute. This is necessary
-               in order to calculate the proper normalization of tally results
-               based on the source rate.
-
-:mod:`openmc.deplete` supports multiple time-integration methods for determining
-material compositions over time. Each method appears as a different class.
-For example, :class:`openmc.deplete.CECMIntegrator` runs a depletion calculation
-using the CE/CM algorithm (deplete over a timestep using the middle-of-step
-reaction rates). An instance of :class:`openmc.deplete.Operator` is passed to
-one of these functions along with the timesteps and power level::
-
-    power = 1200.0e6  # watts
-    timesteps = [10.0, 10.0, 10.0]  # days
-    openmc.deplete.CECMIntegrator(op, timesteps, power, timestep_units='d').integrate()
-
-The coupled transport-depletion problem is executed, and once it is done a
-``depletion_results.h5`` file is written. The results can be analyzed using the
-:class:`openmc.deplete.Results` class. This class has methods that allow for
-easy retrieval of k-effective, nuclide concentrations, and reaction rates over
-time::
-
-    results = openmc.deplete.Results("depletion_results.h5")
-    time, keff = results.get_keff()
-
-Note that the coupling between the transport solver and the transmutation solver
-happens in-memory rather than by reading/writing files on disk.
+.. important::
+   
+   The volume must be specified for each material that is depleted by setting
+   the :attr:`Material.volume` attribute. This is necessary in order to
+   calculate the proper normalization of tally results based on the source rate.
 
 Fixed-Source Transmutation
-==========================
+--------------------------
 
 When the ``power`` or ``power_density`` argument is used for one of the
 Integrator classes, it is assumed that OpenMC is running in k-eigenvalue mode,
@@ -91,10 +101,12 @@ timestep in the calculation. A zero source rate for a given timestep will result
 in a decay-only step, where all reaction rates are zero.
 
 Caveats
-=======
+-------
+
+.. _energy-deposition:
 
 Energy Deposition
------------------
+~~~~~~~~~~~~~~~~~
 
 The default energy deposition mode, ``"fission-q"``, instructs the
 :class:`~openmc.deplete.Operator` to normalize reaction rates using the product
@@ -126,7 +138,7 @@ should be, including indirect components. Some examples are provided below::
 
 
 A more complete way to model the energy deposition is to use the modified
-heating reactions described in :ref:`methods_heating`.  These values can be used
+heating reactions described in :ref:`methods_heating`. These values can be used
 to normalize reaction rates instead of using the fission reaction rates with::
 
     op = openmc.deplete.Operator(model, "chain.xml",
@@ -137,7 +149,7 @@ of :meth:`openmc.data.IncidentNeutron.from_njoy()`, and will eventually be bundl
 into the distributed libraries.
 
 Local Spectra and Repeated Materials
-------------------------------------
+~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
 
 It is not uncommon to explicitly create a single burnable material across many
 locations. From a pure transport perspective, there is nothing wrong with
@@ -184,42 +196,81 @@ Transport-independent depletion
 
 .. note::
    
-   This feature is still under heavy development. API changes are
-   possible and likely in the near future.
+   This feature is still under heavy development and has yet to be verifed
+   code-to-code . API changes and feature additions are possible and likely in
+   the near future.
 
-OpenMC supports running depletion calculations independent of the OpenMC
-transport solver using the :class:`~openmc.deplete.IndependentOperator` class.
-This class supports both constant-flux (``source-rate`` normalization) and 
-constant-power depletion (``fission-q`` normalization).
+This category of operator uses pre-calculated one-group microscopic cross
+sections to obtain transmutation reaction rates. OpenMC provides the
+:class:`~openmc.deplete.IndependentOperator` for this method of calculation.
+While the one-group microscopic cross sections can be calculated using a
+transport solver, :class:`~openmc.deplete.IndependentOperator` is not directly
+coupled to any transport solver. The
+:class:`~openmc.deplete.IndependentOperator` class requires a
+:class:`openmc.Materials` object, a :class:`~openmc.deplete.MicroXS` object,
+and a path to a depletion chain file::
 
-.. important::
+    # load in the microscopic cross sections
+    materials = openmc.Materials()
+    ...
 
-   Make sure you set the correct parameter in the :class:`openmc.abc.Integrator`
-   class. Use the ``source_rates`` parameter when
-   ``normalization_mode == source-rate``, and use ``power`` or ``power_density``
-   when ``normalization_mode == fission-q``.
+    micro_xs = openmc.deplete.MicroXS()
+    ...
 
-.. warning::
+    op = IndependentOperator(materials, micro_xs, chain_file)
 
-   The accuracy of results when using ``fission-q`` is entirely dependent on
-   your depletion chain. Make sure it has sufficient data to resolve the
-   dynamics of your particular scenario. 
+.. note::
 
-:class:`~openmc.deplete.IndependentOperator` class uses one-group microscopic cross sections to calculate reaction
-rates. Users can generate one-group microscopic cross sections using the 
+   The same statements from :ref:`coupled-depletion` about which
+   materials are depleted and the requirement for depletable materials to have
+   a specified volume also apply here.
+
+An alternate constructor,
+:meth:`~openmc.deplete.IndependentOperator.from_nuclides`, accepts a volume and
+dictionary of nuclide concentrations in place of the :class:`openmc.Materials`
+object::
+
+    nuclides = {'U234': 8.92e18,
+                'U235': 9.98e20,
+                'U238': 2.22e22,
+                'U236': 4.57e18,
+                'O16': 4.64e22,
+                'O17': 1.76e19}
+    volume = 0.5 
+    op = openmc.deplete.IndependentOperator.from_nuclides(volume,
+                                                          nuclides,
+                                                          micro_xs,
+                                                          chain_file,
+                                                          nuc_units='atom/cm3')
+
+A user can then define an integrator class as they would for a coupled
+transport-depletion calculation and follow the same steps from there.
+
+.. note::
+
+   Ideally, one-group cross section data should be available for every
+   reaction in the depletion chain. If a nuclide that has a reaction 
+   associated with it in the depletion chain is present in the `nuclides` 
+   parameter but not the cross section data, that reaction will not be
+   simulated.
+
+Generating Microscopic Cross Sections
+-------------------------------------
+
+Users can generate the one-group microscopic cross sections needed by
+:class:`~openmc.deplete.IndependentOperator` using the
 :class:`~openmc.deplete.MicroXS` class::
 
     import openmc
-    from openmc.deplete import MicroXS
 
     model = openmc.Model.from_xml()
 
-    micro_xs = MicroXS.from_model(model, model.materials[0])
+    micro_xs = openmc.deplete.MicroXS.from_model(model, model.materials[0])
 
-    micro_xs.to_csv(micro_xs_path)
-
-:class:`~openmc.deplete.MicroXS` also includes functions to read in cross
-section data directly from a ``.csv`` file or from data arrays::
+The :meth:`~openmc.deplete.MicroXS.from_model()` method will produce a
+:class:`~openmc.deplete.MicroXS` object with microscopic cross section data in
+units of ``b``, which is what :class:`~openmc.deplete.IndependentOperator`
+expects the units to be. The :class:`~openmc.deplete.MicroXS` class also includes functions to read in cross section data directly from a ``.csv`` file or from data arrays::
 
     micro_xs = MicroXS.from_csv(micro_xs_path)
 
@@ -230,32 +281,73 @@ section data directly from a ``.csv`` file or from data arrays::
                      [0.01, 0.5]])
     micro_xs = MicroXS.from_array(nuclides, reactions, data)
 
-:class:`~openmc.deplete.IndependentOperator` has two ways to initialize it:
-the default constructor accepts an :class:`openmc.Materials` object and
-one-group microscopic cross sections as a :class:`~openmc.deplete.MicroXS`
-object, while the :meth:`~openmc.deplete.IndependentOperator.from_nuclides` 
-method accepts a volume and dictionary of nuclide concentrations in place of the
-:class:`openmc.Materials` object in addition to the other parameters::
+.. important ::
 
-    # load in the microscopic cross sections
-    op = IndependentOperator(materials, micro_xs, chain_file)
+   Both :meth:`~openmc.deplete.MicroXS.from_csv()` and
+   :meth:`~openmc.deplete.MicroXS.from_array()` assume the cross section values 
+   provided are in barns by defualt, but have no way of verifying this. Make
+   sure your cross sections are in the correct units before passing to a
+   :class:`~openmc.deplete.IndependentOperator` object.
 
-    # alternate construtor
-    nuclides = {'U234': 8.92e18,
-                'U235': 9.98e20,
-                'U238': 2.22e22,
-                'U236': 4.57e18,
-                'O16': 4.64e22,
-                'O17': 1.76e19}
-    volume = 0.5 
-    op = IndependentOperator.from_nuclides(volume, nuclides, micro_xs,
-                                           chain_file, nuc_units='atom/cm3')
+Caveats
+-------
 
-A user can then define an integrator class as they would for a coupled
-transport-depletion calculation and follow the same steps from there.
+Reaction Rate Normalization
+~~~~~~~~~~~~~~~~~~~~~~~~~~~
 
-.. note:: Ideally, one-group cross section data should be available for every
-   reaction in the depletion chain. If a nuclide that has a reaction 
-   associated with it in the depletion chain is present in the `nuclides` 
-   parameter but not the cross section data, that reaction will not be
-   simulated.
+The :class:`~openmc.deplete.IndependentOperator` class supports two methods for
+normalizing reaction rates:
+
+.. important::
+
+   Make sure you set the correct parameter in the :class:`openmc.abc.Integrator`
+   class. Use the ``source_rates`` parameter when
+   ``normalization_mode == source-rate``, and use ``power`` or ``power_density``
+   when ``normalization_mode == fission-q``.
+
+1. ``soure-rate`` normalization, which assumes the ``source-rate`` provided by
+   the time integrator is a flux, and obtains the reaction rates by multiplying
+   the cross-sections by the ``source-rate``.
+2. ``fission-q`` normalization, which assumes the ``source-rate`` provided by
+   the time integrator is a power, and obtains the reaction rates by computing a
+   value for the flux based on this power. The general equation for the flux is 
+
+   .. math::
+
+      \phi = \frac{P}{V \cdot \sum_i (Q_i \cdot \Sigma^f_i \cdot \rho_i)}
+
+   where :math:`\sum_i` is the sum over all nuclides :math:`i`. This equation
+   makes the same assumptions and issues as discussed in
+   :ref:`energy-deposition`. Unfortunately, the proposed solution in that
+   section does not apply here since we are decoupled from transport code.
+   However, there is a method to converge to a more accurate value for flux by
+   using substeps during time integration.
+   `This paper <https://doi.org/10.1016/j.anucene.2016.05.031>`_ provides a
+   good discussion of this method. Hopefully such a method will be implemented
+   in OpenMC in the near future.
+
+.. warning::
+
+   The accuracy of results when using ``fission-q`` is entirely dependent on
+   your depletion chain. Make sure it has sufficient data to resolve the
+   dynamics of your particular scenario. 
+
+Multiple Materials
+~~~~~~~~~~~~~~~~~~
+
+Running a depletion simulation with multiple materials using the
+``source-rate`` normalization method treats each material as completely
+separate with respect to reaction rates. This can be useful for running many
+different cases of a particular scenario. However, running a depletion
+simulation with multiple materials using the ``fission-q`` normalization method
+treats each material as part of the same "reactor" due to how ``fission-q``
+normalization conglomerates energy values from each material to a single value.
+This behavior may change in the future.
+
+Time integration
+~~~~~~~~~~~~~~~~
+
+The one-group microscopic cross sections passed to
+:class:`openmc.deplete.IndependentOperator` are fixed values for the entire
+depletion simulation. This implicit assumption may produce inaccurate results
+for certain scenarios.

From 511464b53b590549b053b386ac336b47ad3ca1a6 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Sat, 30 Jul 2022 15:39:47 -0500
Subject: [PATCH 0713/2654] adjust top-level module descriptions

---
 openmc/deplete/abc.py                  |  9 ++++-----
 openmc/deplete/helpers.py              |  2 +-
 openmc/deplete/independent_operator.py |  2 +-
 openmc/deplete/operator.py             | 10 +++++-----
 4 files changed, 11 insertions(+), 12 deletions(-)

diff --git a/openmc/deplete/abc.py b/openmc/deplete/abc.py
index cdbd1361a..5cb3b254a 100644
--- a/openmc/deplete/abc.py
+++ b/openmc/deplete/abc.py
@@ -1,7 +1,6 @@
-"""function module.
+"""abc module.
 
-This module contains the Operator class, which is then passed to an integrator
-to run a full depletion simulation.
+This module contains Abstract Base Classes for implementing operator, integrator, depletion system solver, and operator helper classes
 """
 
 from abc import ABC, abstractmethod
@@ -864,8 +863,8 @@ class SIIntegrator(Integrator):
         initial heavy metal inventory to get total power if ``power``
         is not specified.
     source_rates : float or iterable of float, optional
-        Source rate in [neutron/sec] or neutron flux in [neutron/s-cm^2] for each
-        interval in :attr:`timesteps`
+        Source rate in [neutron/sec] or neutron flux in [neutron/s-cm^2] for
+        each interval in :attr:`timesteps`
 
         .. versionadded:: 0.12.1
     timestep_units : {'s', 'min', 'h', 'd', 'MWd/kg'}
diff --git a/openmc/deplete/helpers.py b/openmc/deplete/helpers.py
index 7b863b69a..4fcde4f6b 100644
--- a/openmc/deplete/helpers.py
+++ b/openmc/deplete/helpers.py
@@ -1,5 +1,5 @@
 """
-Class for normalizing fission energy deposition
+Classes for collecting and calculating quantities for reaction rate operators
 """
 import bisect
 from abc import abstractmethod
diff --git a/openmc/deplete/independent_operator.py b/openmc/deplete/independent_operator.py
index 98ef6656d..a7eb54f57 100644
--- a/openmc/deplete/independent_operator.py
+++ b/openmc/deplete/independent_operator.py
@@ -1,4 +1,4 @@
-"""Independent depletion operator
+"""Transport-independent operator for depletion.
 
 This module implements a depletion operator that runs independently of any
 transport solver by using user-provided one-group cross sections.
diff --git a/openmc/deplete/operator.py b/openmc/deplete/operator.py
index 53a1db3e9..2f8dcfba2 100644
--- a/openmc/deplete/operator.py
+++ b/openmc/deplete/operator.py
@@ -1,9 +1,9 @@
-"""OpenMC transport operator
+"""Transport-coupled operator for depletion.
 
-This module implements a transport operator for OpenMC so that it can be used by
-depletion integrators. The implementation makes use of the Python bindings to
-OpenMC's C API so that reading tally results and updating material number
-densities is all done in-memory instead of through the filesystem.
+This module implements an operator coupled to OpenMC's transport sovler so that
+it can be used by depletion integrators. The implementation makes use of the Python bindings to OpenMC's C API so that reading tally results and updating
+material number densities is all done in-memory instead of through the
+filesystem.
 
 """
 

From 773757246bbbd6a680a6bc1648c1ae7d2cbc88ed Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Sat, 30 Jul 2022 16:46:31 -0500
Subject: [PATCH 0714/2654] Operator->CoupledOperator - update references in
 docstrings and docpages - minor adjustments to related docs in deplete module
 files - retain backwards compatiblity by exporint Operator alias

---
 docs/source/methods/depletion.rst    |  8 ++---
 docs/source/pythonapi/deplete.rst    | 16 +++++-----
 docs/source/usersguide/depletion.rst | 43 +++++++++++++-------------
 openmc/deplete/abc.py                | 46 +++++++++++++++-------------
 openmc/deplete/chain.py              |  3 +-
 openmc/deplete/helpers.py            | 25 ++++++++-------
 openmc/deplete/operator.py           | 27 ++++++++--------
 openmc/deplete/results.py            | 10 +++---
 8 files changed, 96 insertions(+), 82 deletions(-)

diff --git a/docs/source/methods/depletion.rst b/docs/source/methods/depletion.rst
index 0e06b3a50..66ee50397 100644
--- a/docs/source/methods/depletion.rst
+++ b/docs/source/methods/depletion.rst
@@ -234,7 +234,7 @@ of FPY:
    Only applicable to transport-coupled depletion
 
 The method for transport-coupled depletion can be selected through the
-``fission_yield_mode`` argument to the :class:`openmc.deplete.Operator`
+``fission_yield_mode`` argument to the :class:`openmc.deplete.CoupledOperator`
 constructor.
 
 Power Normalization
@@ -246,8 +246,8 @@ compute an absolute reaction rate in reactions per second. To do so, the
 reaction rates are normalized based on a specified power. A complete
 description of how this normalization can be performed is described in
 :ref:`usersguide_tally_normalization`. Here, we simply note that the main
-depletion class, :class:`openmc.deplete.Operator`, allows the user to choose
-one of two methods for estimating the heating rate, including:
+depletion class, :class:`openmc.deplete.CoupledOperator`, allows the user to
+choose one of two methods for estimating the heating rate, including:
 
 1. Using fixed Q values from a depletion chain file (useful for comparisons to
    other codes that use fixed Q values), or
@@ -255,4 +255,4 @@ one of two methods for estimating the heating rate, including:
    energy-dependent estimate of the true heating rate.
 
 The method for normalization can be chosen through the ``normalization_mode``
-argument to the :class:`openmc.deplete.Operator` class.
+argument to the :class:`openmc.deplete.CoupledOperator` class.
diff --git a/docs/source/pythonapi/deplete.rst b/docs/source/pythonapi/deplete.rst
index cc36a17c7..bc07ed1b0 100644
--- a/docs/source/pythonapi/deplete.rst
+++ b/docs/source/pythonapi/deplete.rst
@@ -18,8 +18,8 @@ are:
 The former is responsible for obtaining transmuation reaction rates. The latter
 is responsible for projecting reaction rates and compositions forward in
 calendar time across some step size :math:`\Delta t`, and obtaining new
-compositions given a power or power density. The :class:`Operator` class is
-provided to obtain reaction rates via tallies through OpenMC's transport
+compositions given a power or power density. The :class:`CoupledOperator` class
+is provided to obtain reaction rates via tallies through OpenMC's transport
 solver, and the :class:`IndependentOperator` class is provided to obtain
 reaction rates from cross-section data. Several classes are provided that
 implement different time-integration algorithms for depletion calculations,
@@ -49,11 +49,11 @@ provided by OpenMC are available using the following classes:
    :nosignatures:
    :template: mycallable.rst
 
-   Operator
+   CoupledOperator
    IndependentOperator
 
-The :class:`Operator` and :class:`IndependentOperator` classes must also have
-some knowledge of how nuclides transmute and decay. This is handled by the 
+The :class:`CoupledOperator` and :class:`IndependentOperator` classes must also
+have some knowledge of how nuclides transmute and decay. This is handled by the 
 :class:`Chain`.
 
 Minimal Example
@@ -71,7 +71,7 @@ A minimal example for performing depletion would be:
 
     # Representation of a depletion chain
     >>> chain_file = "chain_casl.xml"
-    >>> operator = openmc.deplete.Operator(
+    >>> operator = openmc.deplete.CoupledOperator(
     ...     model, chain_file)
 
     # Set up 5 time steps of one day each
@@ -177,7 +177,7 @@ with :func:`cram.CRAM48` being the default.
    :class:`multiprocessing.pool.Pool` class. If set to ``None`` (default), the
    number returned by :func:`os.cpu_count` is used.
 
-The following classes are used to help the :class:`openmc.deplete.Operator`
+The following classes are used to help the :class:`openmc.deplete.CoupledOperator`
 compute quantities like effective fission yields, reaction rates, and
 total system energy.
 
@@ -194,6 +194,8 @@ total system energy.
    helpers.FissionYieldCutoffHelper
    helpers.FluxCollapseHelper
 
+The :class:`openmc.deplete.IndependentOperator` uses inner class subclassed from
+those listed to perform similar calculations.
 
 Intermediate Classes
 --------------------
diff --git a/docs/source/usersguide/depletion.rst b/docs/source/usersguide/depletion.rst
index 7409c6610..990031c40 100644
--- a/docs/source/usersguide/depletion.rst
+++ b/docs/source/usersguide/depletion.rst
@@ -47,17 +47,17 @@ Transport-coupled depletion
 
 This category of operator solves the transport equation to obtain transmutation
 reaction rates. At present, the :mod:`openmc.deplete` module offers a single
-transport-coupled operator, :class:`openmc.deplete.Operator` (which uses the
-OpenMC transport solver), but in principle additional transport-coupled operator
-classes based on other transport codes could be implemented and no changes to
-the depletion solver itself would be needed. The
-:class:`openmc.deplete.Operator` class requires a :class:`~openmc.Model`
+transport-coupled operator, :class:`openmc.deplete.CoupledOperator` (which uses
+the OpenMC transport solver), but in principle additional transport-coupled
+operator classes based on other transport codes could be implemented and no
+changes to the depletion solver itself would be needed. The
+:class:`openmc.deplete.CoupledOperator` class requires a :class:`~openmc.Model`
 instance containing material, geometry, and settings information::
 
     model = openmc.Model()
     ...
 
-    op = openmc.deplete.Operator(model)
+    op = openmc.deplete.CoupledOperator(model)
 
 Any material that contains a fissionable nuclide is depleted by default, but
 this can behavior can be changed with the :attr:`Material.depletable` attribute.
@@ -86,11 +86,11 @@ using the :attr:`Material.depletable` attribute::
     mat = openmc.Material()
     mat.depletable = True
 
-When constructing the :class:`~openmc.deplete.Operator`, you should indicate
-that normalization of tally results will be done based on the source rate rather
-than a power or power density::
+When constructing the :class:`~openmc.deplete.CoupledOperator`, you should
+indicate that normalization of tally results will be done based on the source
+rate rather than a power or power density::
 
-    op = openmc.deplete.Operator(model, normalization_mode='source-rate')
+    op = openmc.deplete.CoupledOperator(model, normalization_mode='source-rate')
 
 Finally, when creating a depletion integrator, use the ``source_rates`` argument::
 
@@ -109,13 +109,14 @@ Energy Deposition
 ~~~~~~~~~~~~~~~~~
 
 The default energy deposition mode, ``"fission-q"``, instructs the
-:class:`~openmc.deplete.Operator` to normalize reaction rates using the product
-of fission reaction rates and fission Q values taken from the depletion chain.
-This approach does not consider indirect contributions to energy deposition,
-such as neutron heating and energy from secondary photons. In doing this, the
-energy deposited during a transport calculation will be lower than expected.
-This causes the reaction rates to be over-adjusted to hit the user-specific
-power, or power density, leading to an over-depletion of burnable materials.
+:class:`~openmc.deplete.CoupledOperator` to normalize reaction rates using the
+product of fission reaction rates and fission Q values taken from the depletion
+chain. This approach does not consider indirect contributions to energy
+deposition, such as neutron heating and energy from secondary photons. In doing
+this, the energy deposited during a transport calculation will be lower than
+expected. This causes the reaction rates to be over-adjusted to hit the
+user-specific power, or power density, leading to an over-depletion of burnable
+materials.
 
 There are some remedies. First, the fission Q values can be directly set in a
 variety of ways. This requires knowing what the total fission energy release
@@ -130,10 +131,10 @@ should be, including indirect components. Some examples are provided below::
     # create a modified chain and write it to a new file
     chain = openmc.deplete.Chain.from_xml("chain.xml", fission_q)
     chain.export_to_xml("chain_mod_q.xml")
-    op = openmc.deplete.Operator(model, "chain_mod_q.xml")
+    op = openmc.deplete.CoupledOperator(model, "chain_mod_q.xml")
 
     # alternatively, pass the modified fission Q directly to the operator
-    op = openmc.deplete.Operator(model, "chain.xml",
+    op = openmc.deplete.CoupledOperator(model, "chain.xml",
         fission_q=fission_q)
 
 
@@ -141,7 +142,7 @@ A more complete way to model the energy deposition is to use the modified
 heating reactions described in :ref:`methods_heating`. These values can be used
 to normalize reaction rates instead of using the fission reaction rates with::
 
-    op = openmc.deplete.Operator(model, "chain.xml",
+    op = openmc.deplete.CoupledOperator(model, "chain.xml",
         normalization_mode="energy-deposition")
 
 These modified heating libraries can be generated by running the latest version
@@ -174,7 +175,7 @@ the next transport step.
 This can be countered by instructing the operator to treat repeated instances
 of the same material as a unique material definition with::
 
-    op = openmc.deplete.Operator(model, chain_file,
+    op = openmc.deplete.CoupledOperator(model, chain_file,
         diff_burnable_mats=True)
 
 For our example problem, this would deplete fuel on the outer region of the
diff --git a/openmc/deplete/abc.py b/openmc/deplete/abc.py
index 5cb3b254a..dd1fd5b04 100644
--- a/openmc/deplete/abc.py
+++ b/openmc/deplete/abc.py
@@ -82,7 +82,8 @@ class TransportOperator(ABC):
     operator that takes a vector of material compositions and returns an
     eigenvalue and reaction rates. This abstract class sets the requirements
     for such a transport operator. Users should instantiate
-    :class:`openmc.deplete.Operator` rather than this class.
+    :class:`openmc.deplete.CoupledOperator` or
+    :class:`openmc.deplete.IndependentOperator` rather than this class.
 
     Parameters
     ----------
@@ -220,9 +221,11 @@ class ReactionRateHelper(ABC):
     Parameters
     ----------
     n_nucs : int
-        Number of burnable nuclides tracked by :class:`openmc.deplete.Operator`
+        Number of burnable nuclides tracked by
+        :class:`openmc.deplete.abc.TransportOperator`
     n_react : int
-        Number of reactions tracked by :class:`openmc.deplete.Operator`
+        Number of reactions tracked by
+        :class:`openmc.deplete.abc.TransportOperator`
 
     Attributes
     ----------
@@ -291,9 +294,9 @@ class NormalizationHelper(ABC):
     """Abstract class for obtaining normalization factor on tallies
 
     This helper class determines how reaction rates calculated by an instance of
-    :class:`openmc.deplete.Operator` should be normalized for the purpose of
-    constructing a burnup matrix. Based on the method chosen, the power or
-    source rate provided by the user, and reaction rates from a
+    :class:`openmc.deplete.abc.TransportOperator` should be normalized for the
+    purpose of constructing a burnup matrix. Based on the method chosen, the
+    power or source rate provided by the user, and reaction rates from a
     :class:`ReactionRateHelper`, this class will scale reaction rates to the
     correct values.
 
@@ -301,7 +304,7 @@ class NormalizationHelper(ABC):
     ----------
     nuclides : list of str
         All nuclides with desired reaction rates. Ordered to be
-        consistent with :class:`openmc.deplete.Operator`
+        consistent with :class:`openmc.deplete.abc.TransportOperator`
 
     """
 
@@ -315,9 +318,9 @@ class NormalizationHelper(ABC):
     def prepare(self, chain_nucs, rate_index):
         """Perform work needed to obtain energy produced
 
-        This method is called prior to the transport simulations
-        in :meth:`openmc.deplete.Operator.initial_condition`. Only used for
-        energy-based normalization.
+        This method is called prior to calculating the reaction rates
+        in :meth:`openmc.deplete.abc.TransportOperator.initial_condition`. Only
+        used for energy-based normalization.
 
         Parameters
         ----------
@@ -430,7 +433,7 @@ class FissionYieldHelper(ABC):
     def unpack():
         """Unpack tally data prior to compute fission yields.
 
-        Called after a :meth:`openmc.deplete.Operator.__call__`
+        Called after a :meth:`openmc.deplete.abc.TransportOperator.__call__`
         routine during the normalization of reaction rates.
 
         Not necessary for all subclasses to implement, unless tallies
@@ -451,7 +454,7 @@ class FissionYieldHelper(ABC):
         mat_indexes : iterable of int
             Indices of tallied materials that will have their fission
             yields computed by this helper. Necessary as the
-            :class:`openmc.deplete.Operator` that uses this helper
+            :class:`openmc.deplete.CoupledOperator` that uses this helper
             may only burn a subset of all materials when running
             in parallel mode.
         """
@@ -463,14 +466,15 @@ class FissionYieldHelper(ABC):
         ----------
         nuclides : iterable of str
             Nuclides with non-zero densities from the
-            :class:`openmc.deplete.Operator`
+            :class:`openmc.deplete.abc.TransportOperator`
 
         Returns
         -------
         nuclides : list of str
-            Union of nuclides that the :class:`openmc.deplete.Operator`
-            says have non-zero densities at this stage and those that
-            have yield data. Sorted by nuclide name
+            Union of nuclides that the
+            :class:`openmc.deplete.abc.TransportOperator` says have non-zero
+            densities at this stage and those that have yield data. Sorted by
+            nuclide name
 
         """
         return sorted(self._chain_set & set(nuclides))
@@ -484,7 +488,7 @@ class FissionYieldHelper(ABC):
 
         Parameters
         ----------
-        operator : openmc.deplete.TransportOperator
+        operator : openmc.deplete.abc.TransportOperator
             Operator with a depletion chain
         kwargs: optional
             Additional keyword arguments to be used in constuction
@@ -505,7 +509,7 @@ class Integrator(ABC):
     _params = r"""
     Parameters
     ----------
-    operator : openmc.deplete.TransportOperator
+    operator : openmc.deplete.abc.TransportOperator
         Operator to perform transport simulations
     timesteps : iterable of float or iterable of tuple
         Array of timesteps. Note that values are not cumulative. The units are
@@ -548,7 +552,7 @@ class Integrator(ABC):
 
     Attributes
     ----------
-    operator : openmc.deplete.TransportOperator
+    operator : openmc.deplete.abc.TransportOperator
         Operator to perform transport simulations
     chain : openmc.deplete.Chain
         Depletion chain
@@ -843,7 +847,7 @@ class SIIntegrator(Integrator):
     _params = r"""
     Parameters
     ----------
-    operator : openmc.deplete.TransportOperator
+    operator : openmc.deplete.abc.TransportOperator
         The operator object to simulate on.
     timesteps : iterable of float or iterable of tuple
         Array of timesteps. Note that values are not cumulative. The units are
@@ -889,7 +893,7 @@ class SIIntegrator(Integrator):
 
     Attributes
     ----------
-    operator : openmc.deplete.TransportOperator
+    operator : openmc.deplete.abc.TransportOperator
         Operator to perform transport simulations
     chain : openmc.deplete.Chain
         Depletion chain
diff --git a/openmc/deplete/chain.py b/openmc/deplete/chain.py
index 0c1c34cf7..d63bc6bfb 100644
--- a/openmc/deplete/chain.py
+++ b/openmc/deplete/chain.py
@@ -264,7 +264,8 @@ class Chain:
     requires a list of ENDF incident neutron, decay, and neutron fission product
     yield sublibrary files. The depletion chain used during a depletion
     simulation is indicated by either an argument to
-    :class:`openmc.deplete.Operator` or through the
+    :class:`openmc.deplete.CoupledOperator` or
+    :class:`openmc.deplete.IndependentOperator`, or through the
     ``depletion_chain`` item in the :envvar:`OPENMC_CROSS_SECTIONS`
     environment variable.
 
diff --git a/openmc/deplete/helpers.py b/openmc/deplete/helpers.py
index 4fcde4f6b..262e61b35 100644
--- a/openmc/deplete/helpers.py
+++ b/openmc/deplete/helpers.py
@@ -68,7 +68,7 @@ class TalliedFissionYieldHelper(FissionYieldHelper):
         mat_indexes : iterable of int
             Indices of tallied materials that will have their fission
             yields computed by this helper. Necessary as the
-            :class:`openmc.deplete.Operator` that uses this helper
+            :class:`openmc.deplete.CoupledOperator` that uses this helper
             may only burn a subset of all materials when running
             in parallel mode.
         """
@@ -133,9 +133,11 @@ class DirectReactionRateHelper(ReactionRateHelper):
     Parameters
     ----------
     n_nucs : int
-        Number of burnable nuclides tracked by :class:`openmc.deplete.Operator`
+        Number of burnable nuclides tracked by
+        :class:`openmc.deplete.CoupledOperator`
     n_react : int
-        Number of reactions tracked by :class:`openmc.deplete.Operator`
+        Number of reactions tracked by an instance of
+        :class:`openmc.deplete.CoupledOperator`
 
     Attributes
     ----------
@@ -217,9 +219,10 @@ class FluxCollapseHelper(ReactionRateHelper):
     Parameters
     ----------
     n_nucs : int
-        Number of burnable nuclides tracked by :class:`openmc.deplete.Operator`
+        Number of burnable nuclides tracked by
+        :class:`openmc.deplete.CoupledOperator`
     n_react : int
-        Number of reactions tracked by :class:`openmc.deplete.Operator`
+        Number of reactions tracked by :class:`openmc.deplete.CoupledOperator`
     energies : iterable of float
         Energy group boundaries for flux spectrum in [eV]
     reactions : iterable of str
@@ -385,7 +388,7 @@ class ChainFissionHelper(EnergyNormalizationHelper):
     ----------
     nuclides : list of str
         All nuclides with desired reaction rates. Ordered to be
-        consistent with :class:`openmc.deplete.Operator`
+        consistent with :class:`openmc.deplete.CoupledOperator`
     energy : float
         Total energy [J/s/source neutron] produced in a transport simulation.
         Updated in the material iteration with :meth:`update`.
@@ -637,7 +640,7 @@ class FissionYieldCutoffHelper(TalliedFissionYieldHelper):
         that occurred below ``cutoff``. The number
         of materials in the first axis corresponds
         to the number of materials burned by the
-        :class:`openmc.deplete.Operator`
+        :class:`openmc.deplete.CoupledOperator`
     """
 
     def __init__(self, chain_nuclides, n_bmats, cutoff=112.0,
@@ -694,7 +697,7 @@ class FissionYieldCutoffHelper(TalliedFissionYieldHelper):
 
         Parameters
         ----------
-        operator : openmc.deplete.Operator
+        operator : openmc.deplete.CoupledOperator
             Operator with a chain and burnable materials
         kwargs:
             Additional keyword arguments to be used in construction
@@ -720,7 +723,7 @@ class FissionYieldCutoffHelper(TalliedFissionYieldHelper):
         mat_indexes : iterable of int
             Indices of tallied materials that will have their fission
             yields computed by this helper. Necessary as the
-            :class:`openmc.deplete.Operator` that uses this helper
+            :class:`openmc.deplete.CoupledOperator` that uses this helper
             may only burn a subset of all materials when running
             in parallel mode.
         """
@@ -845,7 +848,7 @@ class AveragedFissionYieldHelper(TalliedFissionYieldHelper):
         mat_indexes : iterable of int
             Indices of tallied materials that will have their fission
             yields computed by this helper. Necessary as the
-            :class:`openmc.deplete.Operator` that uses this helper
+            :class:`openmc.deplete.CoupledOperator` that uses this helper
             may only burn a subset of all materials when running
             in parallel mode.
         """
@@ -958,7 +961,7 @@ class AveragedFissionYieldHelper(TalliedFissionYieldHelper):
 
         Parameters
         ----------
-        operator : openmc.deplete.TransportOperator
+        operator : openmc.deplete.CoupledOperator
             Operator with a depletion chain
         kwargs :
             Additional keyword arguments to be used in construction
diff --git a/openmc/deplete/operator.py b/openmc/deplete/operator.py
index 2f8dcfba2..8bf031453 100644
--- a/openmc/deplete/operator.py
+++ b/openmc/deplete/operator.py
@@ -30,7 +30,7 @@ from .helpers import (
     SourceRateHelper, FluxCollapseHelper)
 
 
-__all__ = ["Operator", "OperatorResult"]
+__all__ = ["CoupledOperator", "Operator", "OperatorResult"]
 
 
 def _find_cross_sections(model):
@@ -56,13 +56,13 @@ def _find_cross_sections(model):
     return cross_sections
 
 
-class Operator(OpenMCOperator):
-    """OpenMC transport operator for depletion.
+class CoupledOperator(OpenMCOperator):
+    """Transport-coupled operator for depletion.
 
-    Instances of this class can be used to perform depletion using OpenMC as the
-    transport operator. Normally, a user needn't call methods of this class
-    directly. Instead, an instance of this class is passed to an integrator
-    class, such as :class:`openmc.deplete.CECMIntegrator`.
+    Instances of this class can be used to perform transport-coupled depletion
+    using OpenMC's transport solver. Normally, a user needn't call methods of
+    this class directly. Instead, an instance of this class is passed to an
+    integrator class, such as :class:`openmc.deplete.CECMIntegrator`.
 
     .. versionchanged:: 0.13.0
         The geometry and settings parameters have been replaced with a
@@ -193,11 +193,11 @@ class Operator(OpenMCOperator):
                  reduce_chain=False, reduce_chain_level=None):
         # check for old call to constructor
         if isinstance(model, openmc.Geometry):
-            msg = "As of version 0.13.0 openmc.deplete.Operator requires an " \
-                "openmc.Model object rather than the openmc.Geometry and " \
-                "openmc.Settings parameters. Please use the geometry and " \
-                "settings objects passed here to create a model with which " \
-                "to generate the depletion Operator."
+            msg = "As of version 0.13.0 openmc.deplete.CoupledOperator " \
+                "requires an openmc.Model object rather than the " \
+                "openmc.Geometry and openmc.Settings parameters. Please use " \
+                "the geometry and settings objects passed here to create a " \
+                " model with which to generate the depletion Operator."
             raise TypeError(msg)
 
         # Determine cross sections / depletion chain
@@ -516,3 +516,6 @@ class Operator(OpenMCOperator):
         """Finalize a depletion simulation and release resources."""
         if self.cleanup_when_done:
             openmc.lib.finalize()
+
+# Retain deprecated name for the time being
+Operator = CoupledOperator
diff --git a/openmc/deplete/results.py b/openmc/deplete/results.py
index c238002fe..1c5535601 100644
--- a/openmc/deplete/results.py
+++ b/openmc/deplete/results.py
@@ -81,9 +81,9 @@ class Results(list):
         .. note::
             Initial values for some isotopes that do not appear in
             initial concentrations may be non-zero, depending on the
-            value of the :attr:`openmc.deplete.Operator.dilute_initial`
-            attribute. The :class:`openmc.deplete.Operator` class adds isotopes
-            according to this setting, which can be set to zero.
+            value of the :attr:`openmc.deplete.CoupledOperator.dilute_initial`
+            attribute. The :class:`openmc.deplete.CoupledOperator` class adds
+            isotopes according to this setting, which can be set to zero.
 
         Parameters
         ----------
@@ -145,8 +145,8 @@ class Results(list):
 
             Initial values for some isotopes that do not appear in
             initial concentrations may be non-zero, depending on the
-            value of :class:`openmc.deplete.Operator` ``dilute_initial``
-            The :class:`openmc.deplete.Operator` adds isotopes according
+            value of :class:`openmc.deplete.CoupledOperator` ``dilute_initial``
+            The :class:`openmc.deplete.CoupledOperator` adds isotopes according
             to this setting, which can be set to zero.
 
         Parameters

From 467ae6b9fbe2e043510b0fb9587def567bd07dcd Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Sat, 30 Jul 2022 16:55:36 -0500
Subject: [PATCH 0715/2654] operator.py -> coupled_operator.py

---
 openmc/deplete/__init__.py                          | 2 +-
 openmc/deplete/{operator.py => coupled_operator.py} | 7 +++++++
 2 files changed, 8 insertions(+), 1 deletion(-)
 rename openmc/deplete/{operator.py => coupled_operator.py} (98%)

diff --git a/openmc/deplete/__init__.py b/openmc/deplete/__init__.py
index 12e4abe87..329ee8b52 100644
--- a/openmc/deplete/__init__.py
+++ b/openmc/deplete/__init__.py
@@ -8,7 +8,7 @@ A depletion front-end tool.
 from .nuclide import *
 from .chain import *
 from .openmc_operator import *
-from .operator import *
+from .coupled_operator import *
 from .independent_operator import *
 from .microxs import *
 from .reaction_rates import *
diff --git a/openmc/deplete/operator.py b/openmc/deplete/coupled_operator.py
similarity index 98%
rename from openmc/deplete/operator.py
rename to openmc/deplete/coupled_operator.py
index 8bf031453..35b63e9cf 100644
--- a/openmc/deplete/operator.py
+++ b/openmc/deplete/coupled_operator.py
@@ -191,6 +191,13 @@ class CoupledOperator(OpenMCOperator):
                  fission_yield_mode="constant", fission_yield_opts=None,
                  reaction_rate_mode="direct", reaction_rate_opts=None,
                  reduce_chain=False, reduce_chain_level=None):
+        # warn of name change
+        warn(
+            "The Operator(...) class has been renamed and will "
+            "be removed in a future version of OpenMC. Use "
+            "CoupledOperator(...) instead.",
+            FutureWarning
+        )
         # check for old call to constructor
         if isinstance(model, openmc.Geometry):
             msg = "As of version 0.13.0 openmc.deplete.CoupledOperator " \

From 3e81a86915881b952dbe26449c0101cc9c1104f5 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Sat, 30 Jul 2022 18:37:51 -0500
Subject: [PATCH 0716/2654] TransportOperator->DepletionOperator

---
 docs/source/pythonapi/deplete.rst         | 42 +++++++++++----------
 docs/source/usersguide/depletion.rst      |  8 ++--
 openmc/deplete/abc.py                     | 46 +++++++++++------------
 openmc/deplete/coupled_operator.py        |  7 ++--
 openmc/deplete/helpers.py                 |  2 +-
 openmc/deplete/independent_operator.py    |  9 +++--
 openmc/deplete/openmc_operator.py         | 11 +++---
 openmc/deplete/stepresult.py              |  2 +-
 tests/dummy_operator.py                   |  4 +-
 tests/unit_tests/test_deplete_operator.py |  4 +-
 10 files changed, 70 insertions(+), 65 deletions(-)

diff --git a/docs/source/pythonapi/deplete.rst b/docs/source/pythonapi/deplete.rst
index bc07ed1b0..9419244fe 100644
--- a/docs/source/pythonapi/deplete.rst
+++ b/docs/source/pythonapi/deplete.rst
@@ -12,20 +12,20 @@ Primary API
 The two primary requirements to perform depletion with :mod:`openmc.deplete`
 are:
 
-    1) A reaction rate operator
+    1) A depletion operator
     2) A time-integration scheme
 
-The former is responsible for obtaining transmuation reaction rates. The latter
-is responsible for projecting reaction rates and compositions forward in
-calendar time across some step size :math:`\Delta t`, and obtaining new
-compositions given a power or power density. The :class:`CoupledOperator` class
-is provided to obtain reaction rates via tallies through OpenMC's transport
-solver, and the :class:`IndependentOperator` class is provided to obtain
-reaction rates from cross-section data. Several classes are provided that
-implement different time-integration algorithms for depletion calculations,
-which are described in detail in Colin Josey's thesis, `Development and
-analysis of high order neutron transport-depletion coupling algorithms
-<http://hdl.handle.net/1721.1/113721>`_.
+The former is responsible for calcuating retaining important information required for depletion. The most common examples are reaction rates and power
+normalization data. The latter is responsible for projecting reaction rates and
+compositions forward in calendar time across some step size :math:`\Delta t`,
+and obtaining new compositions given a power or power density. The
+:class:`CoupledOperator` class is provided to obtain reaction rates via tallies
+through OpenMC's transport solver, and the :class:`IndependentOperator` class is
+provided to obtain reaction rates from cross-section data. Several classes are
+provided that implement different time-integration algorithms for depletion
+calculations, which are described in detail in Colin Josey's thesis,
+`Development and analysis of high order neutron transport-depletion coupling
+algorithms <http://hdl.handle.net/1721.1/113721>`_.
 
 .. autosummary::
     :toctree: generated
@@ -41,8 +41,8 @@ analysis of high order neutron transport-depletion coupling algorithms
     SICELIIntegrator
     SILEQIIntegrator
 
-Each of these classes expects a "reaction rate operator" to be passed. Operators
-provided by OpenMC are available using the following classes:
+Each of these classes expects a "depletion operator" to be passed. OpenMC
+provides The following classes implementing depletion operators:
 
 .. autosummary::
    :toctree: generated
@@ -214,7 +214,7 @@ are stored in :class:`helpers.TalliedFissionYieldHelper`
 
    helpers.TalliedFissionYieldHelper
 
-Methods common to OpenMC-specific implementations of :class:`TransportOperator`
+Methods common to OpenMC-specific implementations of :class:`DepletionOperator`
 are stored in :class:`openmc_operator.OpenMCOperator`
 
 .. autosummary::
@@ -230,19 +230,21 @@ Abstract Base Classes
 
 A good starting point for extending capabilities in :mod:`openmc.deplete` is
 to examine the following abstract base classes. Custom classes can
-inherit from :class:`abc.TransportOperator` to implement alternative
-schemes for collecting reaction rates and other data from a transport code
-prior to depleting materials
+inherit from :class:`abc.DepletionOperator` to implement alternative
+schemes for collecting reaction rates and other data prior to depleting
+materials
 
 .. autosummary::
    :toctree: generated
    :nosignatures:
    :template: mycallable.rst
 
-   abc.TransportOperator
+   abc.DepletionOperator
 
 The following classes are abstract classes used to pass information from
-OpenMC simulations back on to the :class:`abc.TransportOperator`
+transport simulations (in the case of transport-coupled depletion) or to
+simply calculate these quantities directly (in the case of
+transport-independent depletion) back on to the :class:`abc.DepletionOperator`
 
 .. autosummary::
    :toctree: generated
diff --git a/docs/source/usersguide/depletion.rst b/docs/source/usersguide/depletion.rst
index 990031c40..cc59efa6c 100644
--- a/docs/source/usersguide/depletion.rst
+++ b/docs/source/usersguide/depletion.rst
@@ -13,14 +13,14 @@ updated reaction rates, and the process is repeated for as many timesteps as
 are requested.
 
 The depletion module is designed such that the reaction rate solution (the
-"operator") is completely isolated from the solution of the transmutation
+depletion "operator") is completely isolated from the solution of the transmutation
 equations and the method used for advancing time. 
 
 :mod:`openmc.deplete` supports multiple time-integration methods for determining
 material compositions over time. Each method appears as a different class.
 For example, :class:`openmc.deplete.CECMIntegrator` runs a depletion calculation
 using the CE/CM algorithm (deplete over a timestep using the middle-of-step
-reaction rates). An instance of :class:`~openmc.deplete.abc.TransportOperator`
+reaction rates). An instance of :class:`~openmc.deplete.abc.DepletionOperator`
 is passed to one of these functions along with the timesteps and power level::
 
     power = 1200.0e6  # watts
@@ -37,8 +37,8 @@ time::
     time, keff = results.get_keff()
 
 Note that the coupling between the reaction rate solver and the transmutation
-solver happens in-memory rather than by reading/writing files on disk. OpenMC has two categories of
-operators for obtaining transmutation reaction rates. 
+solver happens in-memory rather than by reading/writing files on disk. OpenMC has two categories of depletion operators for obtaining transmutation reaction
+rates. 
 
 .. _coupled-depletion:
 
diff --git a/openmc/deplete/abc.py b/openmc/deplete/abc.py
index dd1fd5b04..e874479c0 100644
--- a/openmc/deplete/abc.py
+++ b/openmc/deplete/abc.py
@@ -28,8 +28,8 @@ from .pool import deplete
 
 
 __all__ = [
-    "OperatorResult", "TransportOperator", "ReactionRateHelper",
-    "NormalizationHelper", "FissionYieldHelper",
+    "OperatorResult", "DepletionOperator",
+    "ReactionRateHelper", "NormalizationHelper", "FissionYieldHelper",
     "Integrator", "SIIntegrator", "DepSystemSolver", "add_params"]
 
 
@@ -75,13 +75,13 @@ def change_directory(output_dir):
         os.chdir(orig_dir)
 
 
-class TransportOperator(ABC):
-    """Abstract class defining a transport operator
+class DepletionOperator(ABC):
+    """Abstract class defining a depletion operator
 
-    Each depletion integrator is written to work with a generic transport
+    Each depletion integrator is written to work with a generic depletion
     operator that takes a vector of material compositions and returns an
     eigenvalue and reaction rates. This abstract class sets the requirements
-    for such a transport operator. Users should instantiate
+    for such a depletion operator. Users should instantiate
     :class:`openmc.deplete.CoupledOperator` or
     :class:`openmc.deplete.IndependentOperator` rather than this class.
 
@@ -222,10 +222,10 @@ class ReactionRateHelper(ABC):
     ----------
     n_nucs : int
         Number of burnable nuclides tracked by
-        :class:`openmc.deplete.abc.TransportOperator`
+        :class:`openmc.deplete.abc.DepletionOperator`
     n_react : int
         Number of reactions tracked by
-        :class:`openmc.deplete.abc.TransportOperator`
+        :class:`openmc.deplete.abc.DepletionOperator`
 
     Attributes
     ----------
@@ -294,7 +294,7 @@ class NormalizationHelper(ABC):
     """Abstract class for obtaining normalization factor on tallies
 
     This helper class determines how reaction rates calculated by an instance of
-    :class:`openmc.deplete.abc.TransportOperator` should be normalized for the
+    :class:`openmc.deplete.abc.DepletionOperator` should be normalized for the
     purpose of constructing a burnup matrix. Based on the method chosen, the
     power or source rate provided by the user, and reaction rates from a
     :class:`ReactionRateHelper`, this class will scale reaction rates to the
@@ -304,7 +304,7 @@ class NormalizationHelper(ABC):
     ----------
     nuclides : list of str
         All nuclides with desired reaction rates. Ordered to be
-        consistent with :class:`openmc.deplete.abc.TransportOperator`
+        consistent with :class:`openmc.deplete.abc.DepletionOperator`
 
     """
 
@@ -319,7 +319,7 @@ class NormalizationHelper(ABC):
         """Perform work needed to obtain energy produced
 
         This method is called prior to calculating the reaction rates
-        in :meth:`openmc.deplete.abc.TransportOperator.initial_condition`. Only
+        in :meth:`openmc.deplete.abc.DepletionOperator.initial_condition`. Only
         used for energy-based normalization.
 
         Parameters
@@ -433,7 +433,7 @@ class FissionYieldHelper(ABC):
     def unpack():
         """Unpack tally data prior to compute fission yields.
 
-        Called after a :meth:`openmc.deplete.abc.TransportOperator.__call__`
+        Called after a :meth:`openmc.deplete.abc.DepletionOperator.__call__`
         routine during the normalization of reaction rates.
 
         Not necessary for all subclasses to implement, unless tallies
@@ -466,13 +466,13 @@ class FissionYieldHelper(ABC):
         ----------
         nuclides : iterable of str
             Nuclides with non-zero densities from the
-            :class:`openmc.deplete.abc.TransportOperator`
+            :class:`openmc.deplete.abc.DepletionOperator`
 
         Returns
         -------
         nuclides : list of str
             Union of nuclides that the
-            :class:`openmc.deplete.abc.TransportOperator` says have non-zero
+            :class:`openmc.deplete.abc.DepletionOperator` says have non-zero
             densities at this stage and those that have yield data. Sorted by
             nuclide name
 
@@ -488,7 +488,7 @@ class FissionYieldHelper(ABC):
 
         Parameters
         ----------
-        operator : openmc.deplete.abc.TransportOperator
+        operator : openmc.deplete.abc.DepletionOperator
             Operator with a depletion chain
         kwargs: optional
             Additional keyword arguments to be used in constuction
@@ -509,8 +509,8 @@ class Integrator(ABC):
     _params = r"""
     Parameters
     ----------
-    operator : openmc.deplete.abc.TransportOperator
-        Operator to perform transport simulations
+    operator : openmc.deplete.abc.DepletionOperator
+        Operator that calculates reaction rates
     timesteps : iterable of float or iterable of tuple
         Array of timesteps. Note that values are not cumulative. The units are
         specified by the `timestep_units` argument when `timesteps` is an
@@ -552,8 +552,8 @@ class Integrator(ABC):
 
     Attributes
     ----------
-    operator : openmc.deplete.abc.TransportOperator
-        Operator to perform transport simulations
+    operator : openmc.deplete.abc.DepletionOperator
+        Operator that calculates reaction rates
     chain : openmc.deplete.Chain
         Depletion chain
     timesteps : iterable of float
@@ -847,8 +847,8 @@ class SIIntegrator(Integrator):
     _params = r"""
     Parameters
     ----------
-    operator : openmc.deplete.abc.TransportOperator
-        The operator object to simulate on.
+    operator : openmc.deplete.abc.DepletionOperator
+        Operator that calculates reaction rates
     timesteps : iterable of float or iterable of tuple
         Array of timesteps. Note that values are not cumulative. The units are
         specified by the `timestep_units` argument when `timesteps` is an
@@ -893,8 +893,8 @@ class SIIntegrator(Integrator):
 
     Attributes
     ----------
-    operator : openmc.deplete.abc.TransportOperator
-        Operator to perform transport simulations
+    operator : openmc.deplete.abc.DepletionOperator
+        Operator that calculates reaction rates
     chain : openmc.deplete.Chain
         Depletion chain
     timesteps : iterable of float
diff --git a/openmc/deplete/coupled_operator.py b/openmc/deplete/coupled_operator.py
index 35b63e9cf..39e46c882 100644
--- a/openmc/deplete/coupled_operator.py
+++ b/openmc/deplete/coupled_operator.py
@@ -1,7 +1,8 @@
 """Transport-coupled operator for depletion.
 
-This module implements an operator coupled to OpenMC's transport sovler so that
-it can be used by depletion integrators. The implementation makes use of the Python bindings to OpenMC's C API so that reading tally results and updating
+This module implements a depletion operator coupled to OpenMC's transport solver
+so that it can be used by depletion integrators. The implementation makes use of
+the Python bindings to OpenMC's C API so that reading tally results and updating
 material number densities is all done in-memory instead of through the
 filesystem.
 
@@ -57,7 +58,7 @@ def _find_cross_sections(model):
 
 
 class CoupledOperator(OpenMCOperator):
-    """Transport-coupled operator for depletion.
+    """Transport-coupled depletion operator.
 
     Instances of this class can be used to perform transport-coupled depletion
     using OpenMC's transport solver. Normally, a user needn't call methods of
diff --git a/openmc/deplete/helpers.py b/openmc/deplete/helpers.py
index 262e61b35..77f3da201 100644
--- a/openmc/deplete/helpers.py
+++ b/openmc/deplete/helpers.py
@@ -557,7 +557,7 @@ class ConstantFissionYieldHelper(FissionYieldHelper):
 
         Parameters
         ----------
-        operator : openmc.deplete.TransportOperator
+        operator : openmc.deplete.abc.DepletionOperator
             operator with a depletion chain
         kwargs:
             Additional keyword arguments to be used in construction
diff --git a/openmc/deplete/independent_operator.py b/openmc/deplete/independent_operator.py
index a7eb54f57..631117403 100644
--- a/openmc/deplete/independent_operator.py
+++ b/openmc/deplete/independent_operator.py
@@ -1,4 +1,4 @@
-"""Transport-independent operator for depletion.
+"""Transport-independent depletion operator.
 
 This module implements a depletion operator that runs independently of any
 transport solver by using user-provided one-group cross sections.
@@ -23,8 +23,8 @@ from .results import Results
 from .helpers import ChainFissionHelper, ConstantFissionYieldHelper, SourceRateHelper
 
 class IndependentOperator(OpenMCOperator):
-    """Depletion operator that uses one-group cross sections to calculate
-    reaction rates.
+    """Transport-independent depletion operator that uses one-group cross
+    sections to calculate reaction rates.
 
     Instances of this class can be used to perform depletion using one-group
     cross sections and constant flux or constant power. Normally, a user needn't
@@ -189,7 +189,8 @@ class IndependentOperator(OpenMCOperator):
             if ``reduce_chain`` evaluates to true. The default value of
             ``None`` implies no limit on the depth.
         fission_yield_opts : dict of str to option, optional
-            Optional arguments to pass to the `FissionYieldHelper`. Will be
+            Optional arguments to pass to the
+            :class:`openmc.deplete.helpers.FissionYieldHelper` class. Will be
             passed directly on to the helper. Passing a value of None will use
             the defaults for the associated helper.
 
diff --git a/openmc/deplete/openmc_operator.py b/openmc/deplete/openmc_operator.py
index 7235ab9bf..bcf73a010 100644
--- a/openmc/deplete/openmc_operator.py
+++ b/openmc/deplete/openmc_operator.py
@@ -1,6 +1,7 @@
 """OpenMC transport operator
 
-This module implements functions shared by both OpenMC transport operators as well as indepenedent depletion operators.
+This module implements functions shared by both OpenMC transport-coupled and
+transport-independent depletion operators.
 
 """
 
@@ -11,7 +12,7 @@ import numpy as np
 
 import openmc
 from openmc.mpi import comm
-from .abc import TransportOperator, OperatorResult
+from .abc import DepletionOperator, OperatorResult
 from .atom_number import AtomNumber
 from .reaction_rates import ReactionRates
 
@@ -41,12 +42,12 @@ def _distribute(items):
         j += chunk_size
 
 
-class OpenMCOperator(TransportOperator):
+class OpenMCOperator(DepletionOperator):
     """Abstract class holding OpenMC-specific functions for running
     depletion calculations.
 
-    Specific classes for running coupled transport-depletion calculations or
-    depletion-only calculations are implemented as subclasses of OpenMCOperator
+    Specific classes for running transport-coupled or transport-independent
+    depletion calculations are implemented as subclasses of OpenMCOperator.
 
     Parameters
     ----------
diff --git a/openmc/deplete/stepresult.py b/openmc/deplete/stepresult.py
index 80a664c6f..3082cf304 100644
--- a/openmc/deplete/stepresult.py
+++ b/openmc/deplete/stepresult.py
@@ -462,7 +462,7 @@ class StepResult:
 
         Parameters
         ----------
-        op : openmc.deplete.TransportOperator
+        op : openmc.deplete.abc.DepletionOperator
             The operator used to generate these results.
         x : list of list of numpy.array
             The prior x vectors.  Indexed [i][cell] using the above equation.
diff --git a/tests/dummy_operator.py b/tests/dummy_operator.py
index 1bb00129d..c54269cc0 100644
--- a/tests/dummy_operator.py
+++ b/tests/dummy_operator.py
@@ -6,7 +6,7 @@ import scipy.sparse as sp
 from uncertainties import ufloat
 
 from openmc.deplete.reaction_rates import ReactionRates
-from openmc.deplete.abc import TransportOperator, OperatorResult
+from openmc.deplete.abc import DepletionOperator, OperatorResult
 from openmc.deplete import (
     CECMIntegrator, PredictorIntegrator, CELIIntegrator, LEQIIntegrator,
     EPCRK4Integrator, CF4Integrator, SICELIIntegrator, SILEQIIntegrator
@@ -117,7 +117,7 @@ class TestChain:
         return sp.csr_matrix(np.array([[a11, a12], [a21, a22]]))
 
 
-class DummyOperator(TransportOperator):
+class DummyOperator(DepletionOperator):
     """This is a dummy operator class with no statistical uncertainty.
 
     y_1' = sin(y_2) y_1 + cos(y_1) y_2
diff --git a/tests/unit_tests/test_deplete_operator.py b/tests/unit_tests/test_deplete_operator.py
index 5fe8715ac..1910112b8 100644
--- a/tests/unit_tests/test_deplete_operator.py
+++ b/tests/unit_tests/test_deplete_operator.py
@@ -7,7 +7,7 @@ to a custom file with new depletion_chain node
 from pathlib import Path
 
 import pytest
-from openmc.deplete.abc import TransportOperator
+from openmc.deplete.abc import DepletionOperator
 from openmc.deplete.chain import Chain, _find_chain_file
 
 BARE_XS_FILE = "bare_cross_sections.xml"
@@ -32,7 +32,7 @@ def bare_xs(run_in_tmpdir):
     yield BARE_XS_FILE
 
 
-class BareDepleteOperator(TransportOperator):
+class BareDepleteOperator(DepletionOperator):
     """Very basic class for testing the initialization."""
 
     @staticmethod

From 0dd8f70939d8103e11b205b559c2e71a254e4f22 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Mon, 1 Aug 2022 09:22:10 -0500
Subject: [PATCH 0717/2654] add paulromano's 2nd round of suggestions

---
 openmc/material.py | 11 +++++------
 1 file changed, 5 insertions(+), 6 deletions(-)

diff --git a/openmc/material.py b/openmc/material.py
index 9ba7360ff..6c2641680 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -408,6 +408,8 @@ class Material(IDManagerMixin):
     def add_components(self, components: dict, percent_type: str = 'ao'):
         """ Add multiple elements or nuclides to a material
 
+        .. versionadded:: 0.13.1
+
         Parameters
         ----------
         components : dict of str to float or dict
@@ -442,17 +444,14 @@ class Material(IDManagerMixin):
                     raise ValueError("An entry in the dictionary does not have "
                                      "a required key: 'percent'")
 
-            percent = params.pop('percent')
-            args = (percent, percent_type)
+            params['percent_type'] = percent_type
 
             ## check if nuclide
             if str.isdigit(component[-1]):
-                self.add_nuclide(component, *args)
+                self.add_nuclide(component, **params)
             else: # is element
                 kwargs = params
-                self.add_element(component, *args, **kwargs)
-
-            params['percent'] = percent
+                self.add_element(component, **params)
 
     def remove_nuclide(self, nuclide: str):
         """Remove a nuclide from the material

From eac4092362545db994f0653eaea134afcf864dbf Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Mon, 1 Aug 2022 09:35:30 -0500
Subject: [PATCH 0718/2654] address @paulromano's fourth round of comments

- syntax fixes
- remove `units` argument from MicroXS.from_csv and MicroXS.from_array
- make Operator warning display only when users call Operator
---
 openmc/deplete/abc.py              |  4 ++--
 openmc/deplete/coupled_operator.py | 18 ++++++++++--------
 openmc/deplete/microxs.py          | 29 ++++++++++++-----------------
 3 files changed, 24 insertions(+), 27 deletions(-)

diff --git a/openmc/deplete/abc.py b/openmc/deplete/abc.py
index e874479c0..8439fab34 100644
--- a/openmc/deplete/abc.py
+++ b/openmc/deplete/abc.py
@@ -529,8 +529,8 @@ class Integrator(ABC):
         initial heavy metal inventory to get total power if ``power``
         is not specified.
     source_rates : float or iterable of float, optional
-        Source rate in [neutron/sec] or neutron flux in [neut/cm^2-s] for each
-        interval in :attr:`timesteps`
+        Source rate in [neutron/sec] or neutron flux in [neutron/s-cm^2] for
+        each interval in :attr:`timesteps`
 
         .. versionadded:: 0.12.1
     timestep_units : {'s', 'min', 'h', 'd', 'MWd/kg'}
diff --git a/openmc/deplete/coupled_operator.py b/openmc/deplete/coupled_operator.py
index 39e46c882..2e457f4d7 100644
--- a/openmc/deplete/coupled_operator.py
+++ b/openmc/deplete/coupled_operator.py
@@ -192,13 +192,7 @@ class CoupledOperator(OpenMCOperator):
                  fission_yield_mode="constant", fission_yield_opts=None,
                  reaction_rate_mode="direct", reaction_rate_opts=None,
                  reduce_chain=False, reduce_chain_level=None):
-        # warn of name change
-        warn(
-            "The Operator(...) class has been renamed and will "
-            "be removed in a future version of OpenMC. Use "
-            "CoupledOperator(...) instead.",
-            FutureWarning
-        )
+        
         # check for old call to constructor
         if isinstance(model, openmc.Geometry):
             msg = "As of version 0.13.0 openmc.deplete.CoupledOperator " \
@@ -526,4 +520,12 @@ class CoupledOperator(OpenMCOperator):
             openmc.lib.finalize()
 
 # Retain deprecated name for the time being
-Operator = CoupledOperator
+def Operator(**args, **kwargs):
+    # warn of name change
+    warn(
+        "The Operator(...) class has been renamed and will "
+        "be removed in a future version of OpenMC. Use "
+        "CoupledOperator(...) instead.",
+        FutureWarning
+    )
+    return CoupledOperator(*args, **kwargs)
diff --git a/openmc/deplete/microxs.py b/openmc/deplete/microxs.py
index 6abf8836f..68255d18a 100644
--- a/openmc/deplete/microxs.py
+++ b/openmc/deplete/microxs.py
@@ -6,7 +6,6 @@ nuclides names as row indices and reaction names as column indices.
 
 import tempfile
 from pathlib import Path
-from os import chdir
 
 from pandas import DataFrame, read_csv, concat
 from numpy import ndarray
@@ -54,7 +53,8 @@ class MicroXS(DataFrame):
 
         Returns
         -------
-        MicroXS, cross section data in [b]
+        MicroXS
+            Cross section data in [b]
 
         """
         groups = EnergyGroups(energy_bounds)
@@ -73,15 +73,12 @@ class MicroXS(DataFrame):
         model.tallies = tallies
 
         # create temporary run
-        original_dir = Path.cwd()
-        temp_dir = tempfile.TemporaryDirectory()
-        chdir(tempfile.gettempdir())
-        statepoint_path = model.run()
-        chdir(original_dir)
+        with tempfile.TemporaryDirectory() as temp_dir:
+            statepoint_path = model.run(cwd=temp_dir)
 
-        with StatePoint(statepoint_path) as sp:
-            for rxn in xs:
-                xs[rxn].load_from_statepoint(sp)
+            with StatePoint(statepoint_path) as sp:
+                for rxn in xs:
+                    xs[rxn].load_from_statepoint(sp)
 
         # Build the DataFrame
         micro_xs = cls()
@@ -89,7 +86,7 @@ class MicroXS(DataFrame):
             df = xs[rxn].get_pandas_dataframe(xs_type='micro')
             df.index = df['nuclide']
             df.drop(['nuclide', xs[rxn].domain_type, 'group in', 'std. dev.'], axis=1, inplace=True)
-            df.rename({'mean':rxn}, axis=1, inplace=True)
+            df.rename({'mean': rxn}, axis=1, inplace=True)
             micro_xs = concat([micro_xs, df], axis=1)
 
         micro_xs._units = 'b'
@@ -100,7 +97,7 @@ class MicroXS(DataFrame):
         return micro_xs
 
     @classmethod
-    def from_array(cls, nuclides, reactions, data, units='b'):
+    def from_array(cls, nuclides, reactions, data):
         """
         Creates a ``MicroXS`` object from arrays.
 
@@ -115,8 +112,6 @@ class MicroXS(DataFrame):
         data : ndarray of floats
             Array containing one-group microscopic cross section values for
             each nuclide and reaction
-        units : {'b', 'cm^2'}
-            Units of the cross section values in ``data``
 
         Returns
         -------
@@ -133,12 +128,12 @@ class MicroXS(DataFrame):
         cls._validate_micro_xs_inputs(
             nuclides, reactions, data)
         micro_xs = cls(index=nuclides, columns=reactions, data=data)
-        micro_xs._units = units
+        micro_xs._units = 'b'
 
         return micro_xs
 
     @classmethod
-    def from_csv(cls, csv_file, units='b', **kwargs):
+    def from_csv(cls, csv_file, **kwargs):
         """
         Load a ``MicroXS`` object from a ``.csv`` file.
 
@@ -165,7 +160,7 @@ class MicroXS(DataFrame):
         cls._validate_micro_xs_inputs(list(micro_xs.index),
                                       list(micro_xs.columns),
                                       micro_xs.to_numpy())
-        micro_xs._units = units
+        micro_xs._units = 'b'
 
         return micro_xs
 

From 51b1350f4a413f4c7a533d3f45a9ae2f3801d316 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Mon, 1 Aug 2022 09:49:20 -0500
Subject: [PATCH 0719/2654] add basic unit test for initalizing CoupledOperator

---
 .../test_deplete_coupled_operator.py          | 55 +++++++++++++++++++
 1 file changed, 55 insertions(+)
 create mode 100644 tests/unit_tests/test_deplete_coupled_operator.py

diff --git a/tests/unit_tests/test_deplete_coupled_operator.py b/tests/unit_tests/test_deplete_coupled_operator.py
new file mode 100644
index 000000000..6de0342b0
--- /dev/null
+++ b/tests/unit_tests/test_deplete_coupled_operator.py
@@ -0,0 +1,55 @@
+"""Basic unit tests for openmc.deplete.CoupledOperator instantiation
+
+"""
+
+from pathlib import Path
+
+import pytest
+from openmc.deplete import CoupledOperator
+import openmc
+import numpy as np
+
+CHAIN_PATH = Path(__file__).parents[1] / "chain_simple.xml"
+
+@pytest.fixture(scope="module")
+def model():
+    fuel = openmc.Material(name="uo2")
+    fuel.add_element("U", 1, percent_type="ao", enrichment=4.25)
+    fuel.add_element("O", 2)
+    fuel.set_density("g/cc", 10.4)
+
+    clad = openmc.Material(name="clad")
+    clad.add_element("Zr", 1)
+    clad.set_density("g/cc", 6)
+
+    water = openmc.Material(name="water")
+    water.add_element("O", 1)
+    water.add_element("H", 2)
+    water.set_density("g/cc", 1.0)
+    water.add_s_alpha_beta("c_H_in_H2O")
+
+    radii = [0.42, 0.45]
+    fuel.volume = np.pi * radii[0] ** 2
+    clad.volume = np.pi * (radii[1]**2 - radii[0]**2)
+    water.volume = 1.24**2 - (np.pi * radii[1]**2)
+
+    materials = openmc.Materials([fuel, clad, water])
+
+    pin_surfaces = [openmc.ZCylinder(r=r) for r in radii]
+    pin_univ = openmc.model.pin(pin_surfaces, materials)
+    bound_box = openmc.rectangular_prism(1.24, 1.24, boundary_type="reflective")
+    root_cell = openmc.Cell(fill=pin_univ, region=bound_box)
+    geometry = openmc.Geometry([root_cell])
+
+    settings = openmc.Settings()
+    settings.particles = 1000
+    settings.inactive = 10
+    settings.batches = 50
+
+    return openmc.Model(geometry, materials, settings)
+
+def test_operator_init(model):
+    """The test uses a temporary dummy chain. This file will be removed
+    at the end of the test, and only contains a depletion_chain node."""
+
+    CoupledOperator(model, CHAIN_PATH)

From 2f985a808609319ea763944285293b60c11dd6f3 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Mon, 1 Aug 2022 09:58:52 -0500
Subject: [PATCH 0720/2654] syntax fix in CoupledOperator

---
 openmc/deplete/coupled_operator.py | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/openmc/deplete/coupled_operator.py b/openmc/deplete/coupled_operator.py
index 2e457f4d7..448952b62 100644
--- a/openmc/deplete/coupled_operator.py
+++ b/openmc/deplete/coupled_operator.py
@@ -192,7 +192,7 @@ class CoupledOperator(OpenMCOperator):
                  fission_yield_mode="constant", fission_yield_opts=None,
                  reaction_rate_mode="direct", reaction_rate_opts=None,
                  reduce_chain=False, reduce_chain_level=None):
-        
+
         # check for old call to constructor
         if isinstance(model, openmc.Geometry):
             msg = "As of version 0.13.0 openmc.deplete.CoupledOperator " \
@@ -520,7 +520,7 @@ class CoupledOperator(OpenMCOperator):
             openmc.lib.finalize()
 
 # Retain deprecated name for the time being
-def Operator(**args, **kwargs):
+def Operator(*args, **kwargs):
     # warn of name change
     warn(
         "The Operator(...) class has been renamed and will "

From 4bab1b5611a929ec7a0166711dd61f64c1f62735 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Mon, 1 Aug 2022 12:09:21 -0500
Subject: [PATCH 0721/2654] remove  attribute from MicroXS; specify xs values
 to be in barns

---
 openmc/deplete/independent_operator.py   |  1 -
 openmc/deplete/microxs.py                | 10 +++-------
 tests/unit_tests/test_deplete_microxs.py |  1 -
 3 files changed, 3 insertions(+), 9 deletions(-)

diff --git a/openmc/deplete/independent_operator.py b/openmc/deplete/independent_operator.py
index 631117403..cd5a4d454 100644
--- a/openmc/deplete/independent_operator.py
+++ b/openmc/deplete/independent_operator.py
@@ -129,7 +129,6 @@ class IndependentOperator(OpenMCOperator):
                          'fission_yield_opts': fission_yield_opts}
 
         cross_sections = micro_xs * 1e-24
-        cross_sections._units = 'cm^2'
         super().__init__(
             materials,
             cross_sections,
diff --git a/openmc/deplete/microxs.py b/openmc/deplete/microxs.py
index 68255d18a..aef3c26c2 100644
--- a/openmc/deplete/microxs.py
+++ b/openmc/deplete/microxs.py
@@ -111,7 +111,8 @@ class MicroXS(DataFrame):
             :data:`openmc.deplete.chain.REACTIONS`
         data : ndarray of floats
             Array containing one-group microscopic cross section values for
-            each nuclide and reaction
+            each nuclide and reaction. Cross section values are assumed to be
+            in [b].
 
         Returns
         -------
@@ -128,7 +129,6 @@ class MicroXS(DataFrame):
         cls._validate_micro_xs_inputs(
             nuclides, reactions, data)
         micro_xs = cls(index=nuclides, columns=reactions, data=data)
-        micro_xs._units = 'b'
 
         return micro_xs
 
@@ -141,9 +141,7 @@ class MicroXS(DataFrame):
         ----------
         csv_file : str
             Relative path to csv-file containing microscopic cross section
-            data.
-        units : {'b', 'cm^2'}
-            Units of the cross section values in the ``.csv`` file
+            data. Cross section values are assumed to be in [b]
         **kwargs : dict
             Keyword arguments to pass to :func:`pandas.read_csv()`.
 
@@ -160,8 +158,6 @@ class MicroXS(DataFrame):
         cls._validate_micro_xs_inputs(list(micro_xs.index),
                                       list(micro_xs.columns),
                                       micro_xs.to_numpy())
-        micro_xs._units = 'b'
-
         return micro_xs
 
     @staticmethod
diff --git a/tests/unit_tests/test_deplete_microxs.py b/tests/unit_tests/test_deplete_microxs.py
index 17d9cb38f..557082eda 100644
--- a/tests/unit_tests/test_deplete_microxs.py
+++ b/tests/unit_tests/test_deplete_microxs.py
@@ -54,7 +54,6 @@ def test_csv():
     ref_xs = MicroXS.from_csv(ONE_GROUP_XS)
     ref_xs.to_csv('temp_xs.csv')
     temp_xs = MicroXS.from_csv('temp_xs.csv')
-    assert ref_xs._units == temp_xs._units
     assert np.all(ref_xs == temp_xs)
     remove('temp_xs.csv')
 

From 78e4e0aedf43082409be060eee9a559525f76669 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Mon, 1 Aug 2022 12:20:46 -0500
Subject: [PATCH 0722/2654] doc adjustments from @paulromano's comments

---
 docs/source/methods/depletion.rst    |  2 +-
 docs/source/pythonapi/deplete.rst    |  6 +++---
 docs/source/usersguide/depletion.rst | 21 ++++++++++-----------
 3 files changed, 14 insertions(+), 15 deletions(-)

diff --git a/docs/source/methods/depletion.rst b/docs/source/methods/depletion.rst
index 66ee50397..308a62e19 100644
--- a/docs/source/methods/depletion.rst
+++ b/docs/source/methods/depletion.rst
@@ -231,7 +231,7 @@ of FPY:
    to transport-coupled depletion.
 3. Compute the average energy at which fission events occur and use an effective
    FPY by linearly interpolating between FPY provided at neighboring energies.
-   Only applicable to transport-coupled depletion
+   Only applicable to transport-coupled depletion.
 
 The method for transport-coupled depletion can be selected through the
 ``fission_yield_mode`` argument to the :class:`openmc.deplete.CoupledOperator`
diff --git a/docs/source/pythonapi/deplete.rst b/docs/source/pythonapi/deplete.rst
index 9419244fe..a57ec915d 100644
--- a/docs/source/pythonapi/deplete.rst
+++ b/docs/source/pythonapi/deplete.rst
@@ -15,7 +15,7 @@ are:
     1) A depletion operator
     2) A time-integration scheme
 
-The former is responsible for calcuating retaining important information required for depletion. The most common examples are reaction rates and power
+The former is responsible for calcuating and retaining important information required for depletion. The most common examples are reaction rates and power
 normalization data. The latter is responsible for projecting reaction rates and
 compositions forward in calendar time across some step size :math:`\Delta t`,
 and obtaining new compositions given a power or power density. The
@@ -194,8 +194,8 @@ total system energy.
    helpers.FissionYieldCutoffHelper
    helpers.FluxCollapseHelper
 
-The :class:`openmc.deplete.IndependentOperator` uses inner class subclassed from
-those listed to perform similar calculations.
+The :class:`openmc.deplete.IndependentOperator` uses inner classes subclassed 
+from those listed above to perform similar calculations.
 
 Intermediate Classes
 --------------------
diff --git a/docs/source/usersguide/depletion.rst b/docs/source/usersguide/depletion.rst
index cc59efa6c..5052f7263 100644
--- a/docs/source/usersguide/depletion.rst
+++ b/docs/source/usersguide/depletion.rst
@@ -8,7 +8,7 @@ OpenMC supports transport-coupled and transport-independent depletion, or
 burnup, calculations through the :mod:`openmc.deplete` Python module. OpenMC
 uses transmutation reaction rates to solve a set of transmutation equations
 that determine the evolution of nuclide densities within a material. The
-nuclide densities predicted as some future time are then used to determine
+nuclide densities predicted at some future time are then used to determine
 updated reaction rates, and the process is repeated for as many timesteps as
 are requested.
 
@@ -197,8 +197,8 @@ Transport-independent depletion
 
 .. note::
    
-   This feature is still under heavy development and has yet to be verifed
-   code-to-code . API changes and feature additions are possible and likely in
+   This feature is still under heavy development and has yet to be rigorously 
+   verified. API changes and feature additions are possible and likely in
    the near future.
 
 This category of operator uses pre-calculated one-group microscopic cross
@@ -282,7 +282,7 @@ expects the units to be. The :class:`~openmc.deplete.MicroXS` class also include
                      [0.01, 0.5]])
     micro_xs = MicroXS.from_array(nuclides, reactions, data)
 
-.. important ::
+.. important::
 
    Both :meth:`~openmc.deplete.MicroXS.from_csv()` and
    :meth:`~openmc.deplete.MicroXS.from_array()` assume the cross section values 
@@ -306,12 +306,12 @@ normalizing reaction rates:
    ``normalization_mode == source-rate``, and use ``power`` or ``power_density``
    when ``normalization_mode == fission-q``.
 
-1. ``soure-rate`` normalization, which assumes the ``source-rate`` provided by
+1. ``source-rate`` normalization, which assumes the ``source_rate`` provided by
    the time integrator is a flux, and obtains the reaction rates by multiplying
    the cross-sections by the ``source-rate``.
-2. ``fission-q`` normalization, which assumes the ``source-rate`` provided by
-   the time integrator is a power, and obtains the reaction rates by computing a
-   value for the flux based on this power. The general equation for the flux is 
+2. ``fission-q`` normalization, which uses the ``power`` or ``power_density``
+   provided by the time integrator to obtain reaction rates by computing a value
+   for the flux based on this power. The general equation for the flux is 
 
    .. math::
 
@@ -324,8 +324,7 @@ normalizing reaction rates:
    However, there is a method to converge to a more accurate value for flux by
    using substeps during time integration.
    `This paper <https://doi.org/10.1016/j.anucene.2016.05.031>`_ provides a
-   good discussion of this method. Hopefully such a method will be implemented
-   in OpenMC in the near future.
+   good discussion of this method. 
 
 .. warning::
 
@@ -342,7 +341,7 @@ separate with respect to reaction rates. This can be useful for running many
 different cases of a particular scenario. However, running a depletion
 simulation with multiple materials using the ``fission-q`` normalization method
 treats each material as part of the same "reactor" due to how ``fission-q``
-normalization conglomerates energy values from each material to a single value.
+normalization accumulates energy values from each material to a single value.
 This behavior may change in the future.
 
 Time integration

From 89d79310bb527d4e6cc171693f4584c513643aee Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Mon, 1 Aug 2022 12:44:28 -0500
Subject: [PATCH 0723/2654] revert DepletionOperator to TransportOperator; doc
 updates

---
 docs/source/pythonapi/deplete.rst         | 14 ++++----
 docs/source/usersguide/depletion.rst      |  8 ++---
 openmc/deplete/abc.py                     | 42 +++++++++++------------
 openmc/deplete/coupled_operator.py        |  8 ++---
 openmc/deplete/helpers.py                 |  2 +-
 openmc/deplete/independent_operator.py    |  6 ++--
 openmc/deplete/openmc_operator.py         |  6 ++--
 openmc/deplete/stepresult.py              |  2 +-
 tests/dummy_operator.py                   |  4 +--
 tests/unit_tests/test_deplete_operator.py |  4 +--
 10 files changed, 48 insertions(+), 48 deletions(-)

diff --git a/docs/source/pythonapi/deplete.rst b/docs/source/pythonapi/deplete.rst
index a57ec915d..020251bd2 100644
--- a/docs/source/pythonapi/deplete.rst
+++ b/docs/source/pythonapi/deplete.rst
@@ -12,7 +12,7 @@ Primary API
 The two primary requirements to perform depletion with :mod:`openmc.deplete`
 are:
 
-    1) A depletion operator
+    1) A transpor operator
     2) A time-integration scheme
 
 The former is responsible for calcuating and retaining important information required for depletion. The most common examples are reaction rates and power
@@ -41,8 +41,8 @@ algorithms <http://hdl.handle.net/1721.1/113721>`_.
     SICELIIntegrator
     SILEQIIntegrator
 
-Each of these classes expects a "depletion operator" to be passed. OpenMC
-provides The following classes implementing depletion operators:
+Each of these classes expects a "transport operator" to be passed. OpenMC
+provides The following classes implementing transpor operators:
 
 .. autosummary::
    :toctree: generated
@@ -214,7 +214,7 @@ are stored in :class:`helpers.TalliedFissionYieldHelper`
 
    helpers.TalliedFissionYieldHelper
 
-Methods common to OpenMC-specific implementations of :class:`DepletionOperator`
+Methods common to OpenMC-specific implementations of :class:`TransportOperator`
 are stored in :class:`openmc_operator.OpenMCOperator`
 
 .. autosummary::
@@ -230,7 +230,7 @@ Abstract Base Classes
 
 A good starting point for extending capabilities in :mod:`openmc.deplete` is
 to examine the following abstract base classes. Custom classes can
-inherit from :class:`abc.DepletionOperator` to implement alternative
+inherit from :class:`abc.TransportOperator` to implement alternative
 schemes for collecting reaction rates and other data prior to depleting
 materials
 
@@ -239,12 +239,12 @@ materials
    :nosignatures:
    :template: mycallable.rst
 
-   abc.DepletionOperator
+   abc.TransportOperator
 
 The following classes are abstract classes used to pass information from
 transport simulations (in the case of transport-coupled depletion) or to
 simply calculate these quantities directly (in the case of
-transport-independent depletion) back on to the :class:`abc.DepletionOperator`
+transport-independent depletion) back on to the :class:`abc.TransportOperator`
 
 .. autosummary::
    :toctree: generated
diff --git a/docs/source/usersguide/depletion.rst b/docs/source/usersguide/depletion.rst
index 5052f7263..d39ebb83e 100644
--- a/docs/source/usersguide/depletion.rst
+++ b/docs/source/usersguide/depletion.rst
@@ -13,14 +13,14 @@ updated reaction rates, and the process is repeated for as many timesteps as
 are requested.
 
 The depletion module is designed such that the reaction rate solution (the
-depletion "operator") is completely isolated from the solution of the transmutation
-equations and the method used for advancing time. 
+transport "operator") is completely isolated from the solution of the
+transmutation equations and the method used for advancing time. 
 
 :mod:`openmc.deplete` supports multiple time-integration methods for determining
 material compositions over time. Each method appears as a different class.
 For example, :class:`openmc.deplete.CECMIntegrator` runs a depletion calculation
 using the CE/CM algorithm (deplete over a timestep using the middle-of-step
-reaction rates). An instance of :class:`~openmc.deplete.abc.DepletionOperator`
+reaction rates). An instance of :class:`~openmc.deplete.abc.TransportOperator`
 is passed to one of these functions along with the timesteps and power level::
 
     power = 1200.0e6  # watts
@@ -37,7 +37,7 @@ time::
     time, keff = results.get_keff()
 
 Note that the coupling between the reaction rate solver and the transmutation
-solver happens in-memory rather than by reading/writing files on disk. OpenMC has two categories of depletion operators for obtaining transmutation reaction
+solver happens in-memory rather than by reading/writing files on disk. OpenMC has two categories of transport operators for obtaining transmutation reaction
 rates. 
 
 .. _coupled-depletion:
diff --git a/openmc/deplete/abc.py b/openmc/deplete/abc.py
index 8439fab34..8cf0eceb2 100644
--- a/openmc/deplete/abc.py
+++ b/openmc/deplete/abc.py
@@ -28,7 +28,7 @@ from .pool import deplete
 
 
 __all__ = [
-    "OperatorResult", "DepletionOperator",
+    "OperatorResult", "TransportOperator",
     "ReactionRateHelper", "NormalizationHelper", "FissionYieldHelper",
     "Integrator", "SIIntegrator", "DepSystemSolver", "add_params"]
 
@@ -75,13 +75,13 @@ def change_directory(output_dir):
         os.chdir(orig_dir)
 
 
-class DepletionOperator(ABC):
-    """Abstract class defining a depletion operator
+class TransportOperator(ABC):
+    """Abstract class defining a transport operator
 
     Each depletion integrator is written to work with a generic depletion
     operator that takes a vector of material compositions and returns an
     eigenvalue and reaction rates. This abstract class sets the requirements
-    for such a depletion operator. Users should instantiate
+    for such a transport operator. Users should instantiate
     :class:`openmc.deplete.CoupledOperator` or
     :class:`openmc.deplete.IndependentOperator` rather than this class.
 
@@ -222,10 +222,10 @@ class ReactionRateHelper(ABC):
     ----------
     n_nucs : int
         Number of burnable nuclides tracked by
-        :class:`openmc.deplete.abc.DepletionOperator`
+        :class:`openmc.deplete.abc.TransportOperator`
     n_react : int
         Number of reactions tracked by
-        :class:`openmc.deplete.abc.DepletionOperator`
+        :class:`openmc.deplete.abc.TransportOperator`
 
     Attributes
     ----------
@@ -294,7 +294,7 @@ class NormalizationHelper(ABC):
     """Abstract class for obtaining normalization factor on tallies
 
     This helper class determines how reaction rates calculated by an instance of
-    :class:`openmc.deplete.abc.DepletionOperator` should be normalized for the
+    :class:`openmc.deplete.abc.TransportOperator` should be normalized for the
     purpose of constructing a burnup matrix. Based on the method chosen, the
     power or source rate provided by the user, and reaction rates from a
     :class:`ReactionRateHelper`, this class will scale reaction rates to the
@@ -304,7 +304,7 @@ class NormalizationHelper(ABC):
     ----------
     nuclides : list of str
         All nuclides with desired reaction rates. Ordered to be
-        consistent with :class:`openmc.deplete.abc.DepletionOperator`
+        consistent with :class:`openmc.deplete.abc.TransportOperator`
 
     """
 
@@ -319,7 +319,7 @@ class NormalizationHelper(ABC):
         """Perform work needed to obtain energy produced
 
         This method is called prior to calculating the reaction rates
-        in :meth:`openmc.deplete.abc.DepletionOperator.initial_condition`. Only
+        in :meth:`openmc.deplete.abc.TransportOperator.initial_condition`. Only
         used for energy-based normalization.
 
         Parameters
@@ -433,7 +433,7 @@ class FissionYieldHelper(ABC):
     def unpack():
         """Unpack tally data prior to compute fission yields.
 
-        Called after a :meth:`openmc.deplete.abc.DepletionOperator.__call__`
+        Called after a :meth:`openmc.deplete.abc.TransportOperator.__call__`
         routine during the normalization of reaction rates.
 
         Not necessary for all subclasses to implement, unless tallies
@@ -466,13 +466,13 @@ class FissionYieldHelper(ABC):
         ----------
         nuclides : iterable of str
             Nuclides with non-zero densities from the
-            :class:`openmc.deplete.abc.DepletionOperator`
+            :class:`openmc.deplete.abc.TransportOperator`
 
         Returns
         -------
         nuclides : list of str
             Union of nuclides that the
-            :class:`openmc.deplete.abc.DepletionOperator` says have non-zero
+            :class:`openmc.deplete.abc.TransportOperator` says have non-zero
             densities at this stage and those that have yield data. Sorted by
             nuclide name
 
@@ -488,7 +488,7 @@ class FissionYieldHelper(ABC):
 
         Parameters
         ----------
-        operator : openmc.deplete.abc.DepletionOperator
+        operator : openmc.deplete.abc.TransportOperator
             Operator with a depletion chain
         kwargs: optional
             Additional keyword arguments to be used in constuction
@@ -509,8 +509,8 @@ class Integrator(ABC):
     _params = r"""
     Parameters
     ----------
-    operator : openmc.deplete.abc.DepletionOperator
-        Operator that calculates reaction rates
+    operator : openmc.deplete.abc.TransportOperator
+        Operator to perform transport simulations
     timesteps : iterable of float or iterable of tuple
         Array of timesteps. Note that values are not cumulative. The units are
         specified by the `timestep_units` argument when `timesteps` is an
@@ -552,8 +552,8 @@ class Integrator(ABC):
 
     Attributes
     ----------
-    operator : openmc.deplete.abc.DepletionOperator
-        Operator that calculates reaction rates
+    operator : openmc.deplete.abc.TransportOperator
+        Operator to perform transport simulations
     chain : openmc.deplete.Chain
         Depletion chain
     timesteps : iterable of float
@@ -847,8 +847,8 @@ class SIIntegrator(Integrator):
     _params = r"""
     Parameters
     ----------
-    operator : openmc.deplete.abc.DepletionOperator
-        Operator that calculates reaction rates
+    operator : openmc.deplete.abc.TransportOperator
+        Operator to perform transport simulations
     timesteps : iterable of float or iterable of tuple
         Array of timesteps. Note that values are not cumulative. The units are
         specified by the `timestep_units` argument when `timesteps` is an
@@ -893,8 +893,8 @@ class SIIntegrator(Integrator):
 
     Attributes
     ----------
-    operator : openmc.deplete.abc.DepletionOperator
-        Operator that calculates reaction rates
+    operator : openmc.deplete.abc.TransportOperator
+        Operator to perform transport simulations
     chain : openmc.deplete.Chain
         Depletion chain
     timesteps : iterable of float
diff --git a/openmc/deplete/coupled_operator.py b/openmc/deplete/coupled_operator.py
index 448952b62..d5bb5b4bd 100644
--- a/openmc/deplete/coupled_operator.py
+++ b/openmc/deplete/coupled_operator.py
@@ -1,6 +1,6 @@
-"""Transport-coupled operator for depletion.
+"""Transport-coupled transport operator for depletion.
 
-This module implements a depletion operator coupled to OpenMC's transport solver
+This module implements a transport operator coupled to OpenMC's transport solver
 so that it can be used by depletion integrators. The implementation makes use of
 the Python bindings to OpenMC's C API so that reading tally results and updating
 material number densities is all done in-memory instead of through the
@@ -58,7 +58,7 @@ def _find_cross_sections(model):
 
 
 class CoupledOperator(OpenMCOperator):
-    """Transport-coupled depletion operator.
+    """Transport-coupled transport operator.
 
     Instances of this class can be used to perform transport-coupled depletion
     using OpenMC's transport solver. Normally, a user needn't call methods of
@@ -199,7 +199,7 @@ class CoupledOperator(OpenMCOperator):
                 "requires an openmc.Model object rather than the " \
                 "openmc.Geometry and openmc.Settings parameters. Please use " \
                 "the geometry and settings objects passed here to create a " \
-                " model with which to generate the depletion Operator."
+                " model with which to generate the transport Operator."
             raise TypeError(msg)
 
         # Determine cross sections / depletion chain
diff --git a/openmc/deplete/helpers.py b/openmc/deplete/helpers.py
index 77f3da201..7b2d370ce 100644
--- a/openmc/deplete/helpers.py
+++ b/openmc/deplete/helpers.py
@@ -557,7 +557,7 @@ class ConstantFissionYieldHelper(FissionYieldHelper):
 
         Parameters
         ----------
-        operator : openmc.deplete.abc.DepletionOperator
+        operator : openmc.deplete.abc.TransportOperator
             operator with a depletion chain
         kwargs:
             Additional keyword arguments to be used in construction
diff --git a/openmc/deplete/independent_operator.py b/openmc/deplete/independent_operator.py
index cd5a4d454..d2a9f04d0 100644
--- a/openmc/deplete/independent_operator.py
+++ b/openmc/deplete/independent_operator.py
@@ -1,6 +1,6 @@
-"""Transport-independent depletion operator.
+"""Transport-independent transport operator for depletion.
 
-This module implements a depletion operator that runs independently of any
+This module implements a transport operator that runs independently of any
 transport solver by using user-provided one-group cross sections.
 
 """
@@ -23,7 +23,7 @@ from .results import Results
 from .helpers import ChainFissionHelper, ConstantFissionYieldHelper, SourceRateHelper
 
 class IndependentOperator(OpenMCOperator):
-    """Transport-independent depletion operator that uses one-group cross
+    """Transport-independent transport operator that uses one-group cross
     sections to calculate reaction rates.
 
     Instances of this class can be used to perform depletion using one-group
diff --git a/openmc/deplete/openmc_operator.py b/openmc/deplete/openmc_operator.py
index bcf73a010..6e6f8dd8d 100644
--- a/openmc/deplete/openmc_operator.py
+++ b/openmc/deplete/openmc_operator.py
@@ -1,7 +1,7 @@
 """OpenMC transport operator
 
 This module implements functions shared by both OpenMC transport-coupled and
-transport-independent depletion operators.
+transport-independent transport operators.
 
 """
 
@@ -12,7 +12,7 @@ import numpy as np
 
 import openmc
 from openmc.mpi import comm
-from .abc import DepletionOperator, OperatorResult
+from .abc import TransportOperator, OperatorResult
 from .atom_number import AtomNumber
 from .reaction_rates import ReactionRates
 
@@ -42,7 +42,7 @@ def _distribute(items):
         j += chunk_size
 
 
-class OpenMCOperator(DepletionOperator):
+class OpenMCOperator(TransportOperator):
     """Abstract class holding OpenMC-specific functions for running
     depletion calculations.
 
diff --git a/openmc/deplete/stepresult.py b/openmc/deplete/stepresult.py
index 3082cf304..c54f9edcf 100644
--- a/openmc/deplete/stepresult.py
+++ b/openmc/deplete/stepresult.py
@@ -462,7 +462,7 @@ class StepResult:
 
         Parameters
         ----------
-        op : openmc.deplete.abc.DepletionOperator
+        op : openmc.deplete.abc.TransportOperator
             The operator used to generate these results.
         x : list of list of numpy.array
             The prior x vectors.  Indexed [i][cell] using the above equation.
diff --git a/tests/dummy_operator.py b/tests/dummy_operator.py
index c54269cc0..1bb00129d 100644
--- a/tests/dummy_operator.py
+++ b/tests/dummy_operator.py
@@ -6,7 +6,7 @@ import scipy.sparse as sp
 from uncertainties import ufloat
 
 from openmc.deplete.reaction_rates import ReactionRates
-from openmc.deplete.abc import DepletionOperator, OperatorResult
+from openmc.deplete.abc import TransportOperator, OperatorResult
 from openmc.deplete import (
     CECMIntegrator, PredictorIntegrator, CELIIntegrator, LEQIIntegrator,
     EPCRK4Integrator, CF4Integrator, SICELIIntegrator, SILEQIIntegrator
@@ -117,7 +117,7 @@ class TestChain:
         return sp.csr_matrix(np.array([[a11, a12], [a21, a22]]))
 
 
-class DummyOperator(DepletionOperator):
+class DummyOperator(TransportOperator):
     """This is a dummy operator class with no statistical uncertainty.
 
     y_1' = sin(y_2) y_1 + cos(y_1) y_2
diff --git a/tests/unit_tests/test_deplete_operator.py b/tests/unit_tests/test_deplete_operator.py
index 1910112b8..5fe8715ac 100644
--- a/tests/unit_tests/test_deplete_operator.py
+++ b/tests/unit_tests/test_deplete_operator.py
@@ -7,7 +7,7 @@ to a custom file with new depletion_chain node
 from pathlib import Path
 
 import pytest
-from openmc.deplete.abc import DepletionOperator
+from openmc.deplete.abc import TransportOperator
 from openmc.deplete.chain import Chain, _find_chain_file
 
 BARE_XS_FILE = "bare_cross_sections.xml"
@@ -32,7 +32,7 @@ def bare_xs(run_in_tmpdir):
     yield BARE_XS_FILE
 
 
-class BareDepleteOperator(DepletionOperator):
+class BareDepleteOperator(TransportOperator):
     """Very basic class for testing the initialization."""
 
     @staticmethod

From 1c6fb99947ab1c451749e3c9be75398a59af6b6d Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Mon, 1 Aug 2022 13:36:51 -0500
Subject: [PATCH 0724/2654] fix regression test microxs

---
 tests/regression_tests/microxs/test.py | 2 --
 1 file changed, 2 deletions(-)

diff --git a/tests/regression_tests/microxs/test.py b/tests/regression_tests/microxs/test.py
index bebe1c302..89fdfcaeb 100644
--- a/tests/regression_tests/microxs/test.py
+++ b/tests/regression_tests/microxs/test.py
@@ -47,6 +47,4 @@ def test_from_model(model):
     ref_xs = MicroXS.from_csv('test_reference.csv')
     test_xs = MicroXS.from_model(model, model.materials[0])
 
-    assert ref_xs._units == test_xs._units
     np.testing.assert_allclose(test_xs, ref_xs, rtol=1e-11)
-

From 064426a05fdac019917d613eb2805fb80f5fb5ad Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Tue, 2 Aug 2022 13:17:33 +0100
Subject: [PATCH 0725/2654] added specific_activity

---
 openmc/material.py                | 25 +++++++++++++++++++++++++
 tests/unit_tests/test_material.py | 18 ++++++++++++++++++
 2 files changed, 43 insertions(+)

diff --git a/openmc/material.py b/openmc/material.py
index 6c2641680..61015f5b0 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -94,6 +94,9 @@ class Material(IDManagerMixin):
     activity : float
         Activity of the material in [Bq]. Requires that the :attr:`volume`
         attribute is set.
+    specific_activity : float
+        Activity of the material per unit mass in [Bq/kg]. Requires that the
+        :attr:`volume` and :attr:`density` attributes are set.
 
     """
 
@@ -155,6 +158,11 @@ class Material(IDManagerMixin):
         """Returns the total activity of the material in Becquerels."""
         return sum(self.get_nuclide_activity().values())
 
+    @property
+    def specific_activity(self):
+        """Returns the total specific activity of the material in Becquerels per gram."""
+        return sum(self.get_nuclide_specific_activity().values())
+
     @property
     def name(self):
         return self._name
@@ -925,6 +933,23 @@ class Material(IDManagerMixin):
             activity[nuclide] = inv_seconds * atoms
         return activity
 
+    def get_nuclide_specific_activity(self):
+        """Return specific activity in [Bq/g] for each nuclide in the material
+
+        .. versionadded:: 0.13.1
+
+        Returns
+        -------
+        dict
+            Dictionary whose keys are nuclide names and values are specific
+            activity in [Bq/g].
+        """
+        activity = {}
+        for nuclide, atoms in self.get_nuclide_atoms().items():
+            inv_seconds = openmc.data.decay_constant(nuclide)
+            activity[nuclide] = (inv_seconds * atoms) / self.get_mass()
+        return activity
+
     def get_nuclide_atoms(self):
         """Return number of atoms of each nuclide in the material
 
diff --git a/tests/unit_tests/test_material.py b/tests/unit_tests/test_material.py
index 2c5cc2874..d70161f48 100644
--- a/tests/unit_tests/test_material.py
+++ b/tests/unit_tests/test_material.py
@@ -496,3 +496,21 @@ def test_activity_of_metastable():
     m1.set_density('g/cm3', 1)
     m1.volume = 98.9
     assert pytest.approx(m1.activity, rel=0.001) == 1.93e19
+
+
+def test_specific_activity_of_tritium():
+    """Checks that specific activity stays the same for all volumes and
+    densities while activity changes proportionally to mass"""
+    m1 = openmc.Material()
+    m1.add_nuclide("H3", 1)
+    m1.set_density('g/cm3', 1)
+    m1.volume = 1
+    # activity and specific_activity are initially the same as we have 1g
+    assert pytest.approx(m1.specific_activity) == 3.559778e14
+    assert pytest.approx(m1.activity) == 3.559778e14
+    m1.set_density('g/cm3', 2)
+    assert pytest.approx(m1.specific_activity) == 3.559778e14
+    assert pytest.approx(m1.activity) == 3.559778e14*2
+    m1.volume = 3
+    assert pytest.approx(m1.specific_activity) == 3.559778e14
+    assert pytest.approx(m1.activity) == 3.559778e14*2*3

From 6865264abdca31302384bbd80d8eabfacdd3fe5b Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Tue, 2 Aug 2022 15:43:21 +0100
Subject: [PATCH 0726/2654] added option for year as time units

---
 openmc/deplete/results.py                    | 16 +++++++++-------
 tests/unit_tests/test_deplete_resultslist.py |  6 ++++--
 2 files changed, 13 insertions(+), 9 deletions(-)

diff --git a/openmc/deplete/results.py b/openmc/deplete/results.py
index c238002fe..f56aee3ce 100644
--- a/openmc/deplete/results.py
+++ b/openmc/deplete/results.py
@@ -16,6 +16,8 @@ __all__ = ["Results", "ResultsList"]
 
 
 def _get_time_as(seconds, units):
+    if units == "y":
+        return seconds / (60 * 60 * 24 * 365.25)  # 365.25 due to the leap year
     if units == "d":
         return seconds / (60 * 60 * 24)
     elif units == "h":
@@ -95,7 +97,7 @@ class Results(list):
             Units for the returned concentration. Default is ``"atoms"``
 
             .. versionadded:: 0.12
-        time_units : {"s", "min", "h", "d"}, optional
+        time_units : {"s", "min", "h", "d", "y"}, optional
             Units for the returned time array. Default is ``"s"`` to
             return the value in seconds.
 
@@ -109,7 +111,7 @@ class Results(list):
             Concentration of specified nuclide in units of ``nuc_units``
 
         """
-        cv.check_value("time_units", time_units, {"s", "d", "min", "h"})
+        cv.check_value("time_units", time_units, {"s", "d", "min", "h", "y"})
         cv.check_value("nuc_units", nuc_units,
                     {"atoms", "atom/b-cm", "atom/cm3"})
 
@@ -190,7 +192,7 @@ class Results(list):
 
         Parameters
         ----------
-        time_units : {"s", "d", "h", "min"}, optional
+        time_units : {"s", "d", "min", "h", "y"}, optional
             Desired units for the times array
 
         Returns
@@ -203,7 +205,7 @@ class Results(list):
             1 contains the associated uncertainty
 
         """
-        cv.check_value("time_units", time_units, {"s", "d", "min", "h"})
+        cv.check_value("time_units", time_units, {"s", "d", "min", "h", "y"})
 
         times = np.empty_like(self, dtype=float)
         eigenvalues = np.empty((len(self), 2), dtype=float)
@@ -257,7 +259,7 @@ class Results(list):
 
         Parameters
         ----------
-        time_units : {"s", "d", "h", "min"}, optional
+        time_units : {"s", "d", "min", "h", "y"}, optional
             Return the vector in these units. Default is to
             convert to days
 
@@ -267,7 +269,7 @@ class Results(list):
             1-D vector of time points
 
         """
-        cv.check_value("time_units", time_units, {"s", "d", "min", "h"})
+        cv.check_value("time_units", time_units, {"s", "d", "min", "h", "y"})
 
         times = np.fromiter(
             (r.time[0] for r in self),
@@ -296,7 +298,7 @@ class Results(list):
         ----------
         time : float
             Desired point in time
-        time_units : {"s", "d", "min", "h"}, optional
+        time_units : {"s", "d", "min", "h", "y"}, optional
             Units on ``time``. Default: days
         atol : float, optional
             Absolute tolerance (in ``time_units``) if ``time`` is not
diff --git a/tests/unit_tests/test_deplete_resultslist.py b/tests/unit_tests/test_deplete_resultslist.py
index 6ce15601f..86bf4ebc5 100644
--- a/tests/unit_tests/test_deplete_resultslist.py
+++ b/tests/unit_tests/test_deplete_resultslist.py
@@ -70,14 +70,16 @@ def test_get_keff(res):
     np.testing.assert_allclose(k[:, 1], u_ref)
 
 
-@pytest.mark.parametrize("unit", ("s", "d", "min", "h"))
+@pytest.mark.parametrize("unit", ("s", "d", "min", "h", "y"))
 def test_get_steps(unit):
     # Make a Results full of near-empty Result instances
     # Just fill out a time schedule
     results = openmc.deplete.Results()
     # Time in units of unit
     times = np.linspace(0, 100, num=5)
-    if unit == "d":
+    if unit == "y":
+        conversion_to_seconds = 60 * 60 * 24 * 365.25
+    elif unit == "d":
         conversion_to_seconds = 60 * 60 * 24
     elif unit == "h":
         conversion_to_seconds = 60 * 60

From 98c287b83a692beac38eb1617f3f7315a6fa8a20 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Tue, 2 Aug 2022 17:24:48 +0100
Subject: [PATCH 0727/2654] volume not needed when finding specific activity

---
 openmc/material.py                |  4 ++--
 tests/unit_tests/test_material.py | 21 ++++++++-------------
 2 files changed, 10 insertions(+), 15 deletions(-)

diff --git a/openmc/material.py b/openmc/material.py
index 61015f5b0..57f9a6f86 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -945,9 +945,9 @@ class Material(IDManagerMixin):
             activity in [Bq/g].
         """
         activity = {}
-        for nuclide, atoms in self.get_nuclide_atoms().items():
+        for nuclide, atoms in self.get_nuclide_atom_densities().items():
             inv_seconds = openmc.data.decay_constant(nuclide)
-            activity[nuclide] = (inv_seconds * atoms) / self.get_mass()
+            activity[nuclide] = (inv_seconds * atoms * 1.0e24) / self.density
         return activity
 
     def get_nuclide_atoms(self):
diff --git a/tests/unit_tests/test_material.py b/tests/unit_tests/test_material.py
index d70161f48..c959ba276 100644
--- a/tests/unit_tests/test_material.py
+++ b/tests/unit_tests/test_material.py
@@ -481,12 +481,16 @@ def test_activity_of_stable():
 
 
 def test_activity_of_tritium():
-    """Checks that 1g of tritium has the correct activity"""
+    """Checks that 1g of tritium has the correct activity activity scaling"""
     m1 = openmc.Material()
     m1.add_nuclide("H3", 1)
     m1.set_density('g/cm3', 1)
     m1.volume = 1
     assert pytest.approx(m1.activity) == 3.559778e14
+    m1.set_density('g/cm3', 2)
+    assert pytest.approx(m1.activity) == 3.559778e14*2
+    m1.volume = 3
+    assert pytest.approx(m1.activity) == 3.559778e14*2*3
 
 
 def test_activity_of_metastable():
@@ -499,18 +503,9 @@ def test_activity_of_metastable():
 
 
 def test_specific_activity_of_tritium():
-    """Checks that specific activity stays the same for all volumes and
-    densities while activity changes proportionally to mass"""
+    """Checks that specific activity of tritium is correct"""
     m1 = openmc.Material()
     m1.add_nuclide("H3", 1)
     m1.set_density('g/cm3', 1)
-    m1.volume = 1
-    # activity and specific_activity are initially the same as we have 1g
-    assert pytest.approx(m1.specific_activity) == 3.559778e14
-    assert pytest.approx(m1.activity) == 3.559778e14
-    m1.set_density('g/cm3', 2)
-    assert pytest.approx(m1.specific_activity) == 3.559778e14
-    assert pytest.approx(m1.activity) == 3.559778e14*2
-    m1.volume = 3
-    assert pytest.approx(m1.specific_activity) == 3.559778e14
-    assert pytest.approx(m1.activity) == 3.559778e14*2*3
+    assert m1.specific_activity == 355978108155965.9
+    assert m1.get_nuclide_specific_activity() == {"H3": 355978108155965.9}
\ No newline at end of file

From 742311fd1bb37b884a633d3464f56504448a6ef5 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <drshimwell@gmail.com>
Date: Tue, 2 Aug 2022 17:37:17 +0100
Subject: [PATCH 0728/2654] [skip ci] fixed typo

---
 tests/unit_tests/test_material.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/tests/unit_tests/test_material.py b/tests/unit_tests/test_material.py
index c959ba276..fd9f325f2 100644
--- a/tests/unit_tests/test_material.py
+++ b/tests/unit_tests/test_material.py
@@ -481,7 +481,7 @@ def test_activity_of_stable():
 
 
 def test_activity_of_tritium():
-    """Checks that 1g of tritium has the correct activity activity scaling"""
+    """Checks that 1g of tritium has the correct activity scaling"""
     m1 = openmc.Material()
     m1.add_nuclide("H3", 1)
     m1.set_density('g/cm3', 1)

From 4a06d14b156b2e0d666f5f5faa293e9bc1356c33 Mon Sep 17 00:00:00 2001
From: Olek <45364492+yardasol@users.noreply.github.com>
Date: Tue, 2 Aug 2022 12:28:00 -0500
Subject: [PATCH 0729/2654] Apply suggestions from code review

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 docs/source/methods/depletion.rst    |  3 ++-
 docs/source/pythonapi/deplete.rst    |  5 +++--
 docs/source/usersguide/depletion.rst | 13 ++++++++-----
 openmc/deplete/abc.py                |  4 ++--
 openmc/deplete/helpers.py            |  1 -
 openmc/deplete/microxs.py            |  2 --
 6 files changed, 15 insertions(+), 13 deletions(-)

diff --git a/docs/source/methods/depletion.rst b/docs/source/methods/depletion.rst
index 308a62e19..1b131bed5 100644
--- a/docs/source/methods/depletion.rst
+++ b/docs/source/methods/depletion.rst
@@ -108,7 +108,8 @@ transport-coupled depletion, the expense is driven almost entirely by the time
 to compute a transport solution, i.e., to evaluate :math:`\mathbf{A}` for a
 given :math:`\mathbf{n}`. Thus, the cost of a method scales with the number of
 :math:`\mathbf{A}` evaluations that are performed per timestep. On the other
-hand, methods that require more evaluations generally achieve higher accuracy. The predictor method only requires one evaluation and its error converges as
+hand, methods that require more evaluations generally achieve higher accuracy.
+The predictor method only requires one evaluation and its error converges as
 :math:`\mathcal{O}(h)`. The CE/CM method requires two evaluations and is thus
 twice as expensive as the predictor method, but achieves an error of
 :math:`\mathcal{O}(h^2)`. An exhaustive description of time integration methods
diff --git a/docs/source/pythonapi/deplete.rst b/docs/source/pythonapi/deplete.rst
index 020251bd2..0b7faceb7 100644
--- a/docs/source/pythonapi/deplete.rst
+++ b/docs/source/pythonapi/deplete.rst
@@ -12,10 +12,11 @@ Primary API
 The two primary requirements to perform depletion with :mod:`openmc.deplete`
 are:
 
-    1) A transpor operator
+    1) A transport operator
     2) A time-integration scheme
 
-The former is responsible for calcuating and retaining important information required for depletion. The most common examples are reaction rates and power
+The former is responsible for calculating and retaining important information
+required for depletion. The most common examples are reaction rates and power
 normalization data. The latter is responsible for projecting reaction rates and
 compositions forward in calendar time across some step size :math:`\Delta t`,
 and obtaining new compositions given a power or power density. The
diff --git a/docs/source/usersguide/depletion.rst b/docs/source/usersguide/depletion.rst
index d39ebb83e..29bbcd1ed 100644
--- a/docs/source/usersguide/depletion.rst
+++ b/docs/source/usersguide/depletion.rst
@@ -37,7 +37,8 @@ time::
     time, keff = results.get_keff()
 
 Note that the coupling between the reaction rate solver and the transmutation
-solver happens in-memory rather than by reading/writing files on disk. OpenMC has two categories of transport operators for obtaining transmutation reaction
+solver happens in-memory rather than by reading/writing files on disk. OpenMC
+has two categories of transport operators for obtaining transmutation reaction
 rates. 
 
 .. _coupled-depletion:
@@ -195,7 +196,7 @@ across all material instances.
 Transport-independent depletion
 ===============================
 
-.. note::
+.. warning::
    
    This feature is still under heavy development and has yet to be rigorously 
    verified. API changes and feature additions are possible and likely in
@@ -218,7 +219,7 @@ and a path to a depletion chain file::
     micro_xs = openmc.deplete.MicroXS()
     ...
 
-    op = IndependentOperator(materials, micro_xs, chain_file)
+    op = openmc.deplete.IndependentOperator(materials, micro_xs, chain_file)
 
 .. note::
 
@@ -270,8 +271,10 @@ Users can generate the one-group microscopic cross sections needed by
 
 The :meth:`~openmc.deplete.MicroXS.from_model()` method will produce a
 :class:`~openmc.deplete.MicroXS` object with microscopic cross section data in
-units of ``b``, which is what :class:`~openmc.deplete.IndependentOperator`
-expects the units to be. The :class:`~openmc.deplete.MicroXS` class also includes functions to read in cross section data directly from a ``.csv`` file or from data arrays::
+units of barns, which is what :class:`~openmc.deplete.IndependentOperator`
+expects the units to be. The :class:`~openmc.deplete.MicroXS` class also
+includes functions to read in cross section data directly from a ``.csv`` file
+or from data arrays::
 
     micro_xs = MicroXS.from_csv(micro_xs_path)
 
diff --git a/openmc/deplete/abc.py b/openmc/deplete/abc.py
index 8cf0eceb2..e3587f052 100644
--- a/openmc/deplete/abc.py
+++ b/openmc/deplete/abc.py
@@ -78,7 +78,7 @@ def change_directory(output_dir):
 class TransportOperator(ABC):
     """Abstract class defining a transport operator
 
-    Each depletion integrator is written to work with a generic depletion
+    Each depletion integrator is written to work with a generic transport
     operator that takes a vector of material compositions and returns an
     eigenvalue and reaction rates. This abstract class sets the requirements
     for such a transport operator. Users should instantiate
@@ -604,7 +604,7 @@ class Integrator(ABC):
             else:
                 source_rates = [p*operator.heavy_metal for p in power_density]
         elif source_rates is None:
-            raise ValueError("Either power, power_density, source_rates must be set")
+            raise ValueError("Either power, power_density, or source_rates must be set")
 
         if not isinstance(source_rates, Iterable):
             # Ensure that rate is single value if that is the case
diff --git a/openmc/deplete/helpers.py b/openmc/deplete/helpers.py
index 7b2d370ce..1e382576e 100644
--- a/openmc/deplete/helpers.py
+++ b/openmc/deplete/helpers.py
@@ -615,7 +615,6 @@ class FissionYieldCutoffHelper(TalliedFissionYieldHelper):
         Default: 0.0253 [eV]
     fast_energy : float, optional
         Energy of yield data corresponding to fast yields.
-        Default: 500 [KeV]
 
     Attributes
     ----------
diff --git a/openmc/deplete/microxs.py b/openmc/deplete/microxs.py
index aef3c26c2..89ad5e03c 100644
--- a/openmc/deplete/microxs.py
+++ b/openmc/deplete/microxs.py
@@ -89,8 +89,6 @@ class MicroXS(DataFrame):
             df.rename({'mean': rxn}, axis=1, inplace=True)
             micro_xs = concat([micro_xs, df], axis=1)
 
-        micro_xs._units = 'b'
-
         # Revert to the original tallies
         model.tallies = original_tallies
 

From aa278ada262e88e6c470d44477c704010ccb9832 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <drshimwell@gmail.com>
Date: Tue, 2 Aug 2022 20:13:14 +0100
Subject: [PATCH 0730/2654] [skip ci] @paulromano review suggestion change "y"
 to "a"

---
 openmc/deplete/results.py                    | 16 ++++++++--------
 tests/unit_tests/test_deplete_resultslist.py |  2 +-
 2 files changed, 9 insertions(+), 9 deletions(-)

diff --git a/openmc/deplete/results.py b/openmc/deplete/results.py
index f56aee3ce..6feac89b6 100644
--- a/openmc/deplete/results.py
+++ b/openmc/deplete/results.py
@@ -16,7 +16,7 @@ __all__ = ["Results", "ResultsList"]
 
 
 def _get_time_as(seconds, units):
-    if units == "y":
+    if units == "a":
         return seconds / (60 * 60 * 24 * 365.25)  # 365.25 due to the leap year
     if units == "d":
         return seconds / (60 * 60 * 24)
@@ -97,7 +97,7 @@ class Results(list):
             Units for the returned concentration. Default is ``"atoms"``
 
             .. versionadded:: 0.12
-        time_units : {"s", "min", "h", "d", "y"}, optional
+        time_units : {"s", "min", "h", "d", "a"}, optional
             Units for the returned time array. Default is ``"s"`` to
             return the value in seconds.
 
@@ -111,7 +111,7 @@ class Results(list):
             Concentration of specified nuclide in units of ``nuc_units``
 
         """
-        cv.check_value("time_units", time_units, {"s", "d", "min", "h", "y"})
+        cv.check_value("time_units", time_units, {"s", "d", "min", "h", "a"})
         cv.check_value("nuc_units", nuc_units,
                     {"atoms", "atom/b-cm", "atom/cm3"})
 
@@ -192,7 +192,7 @@ class Results(list):
 
         Parameters
         ----------
-        time_units : {"s", "d", "min", "h", "y"}, optional
+        time_units : {"s", "d", "min", "h", "a"}, optional
             Desired units for the times array
 
         Returns
@@ -205,7 +205,7 @@ class Results(list):
             1 contains the associated uncertainty
 
         """
-        cv.check_value("time_units", time_units, {"s", "d", "min", "h", "y"})
+        cv.check_value("time_units", time_units, {"s", "d", "min", "h", "a"})
 
         times = np.empty_like(self, dtype=float)
         eigenvalues = np.empty((len(self), 2), dtype=float)
@@ -259,7 +259,7 @@ class Results(list):
 
         Parameters
         ----------
-        time_units : {"s", "d", "min", "h", "y"}, optional
+        time_units : {"s", "d", "min", "h", "a"}, optional
             Return the vector in these units. Default is to
             convert to days
 
@@ -269,7 +269,7 @@ class Results(list):
             1-D vector of time points
 
         """
-        cv.check_value("time_units", time_units, {"s", "d", "min", "h", "y"})
+        cv.check_value("time_units", time_units, {"s", "d", "min", "h", "a"})
 
         times = np.fromiter(
             (r.time[0] for r in self),
@@ -298,7 +298,7 @@ class Results(list):
         ----------
         time : float
             Desired point in time
-        time_units : {"s", "d", "min", "h", "y"}, optional
+        time_units : {"s", "d", "min", "h", "a"}, optional
             Units on ``time``. Default: days
         atol : float, optional
             Absolute tolerance (in ``time_units``) if ``time`` is not
diff --git a/tests/unit_tests/test_deplete_resultslist.py b/tests/unit_tests/test_deplete_resultslist.py
index 86bf4ebc5..175f75b21 100644
--- a/tests/unit_tests/test_deplete_resultslist.py
+++ b/tests/unit_tests/test_deplete_resultslist.py
@@ -70,7 +70,7 @@ def test_get_keff(res):
     np.testing.assert_allclose(k[:, 1], u_ref)
 
 
-@pytest.mark.parametrize("unit", ("s", "d", "min", "h", "y"))
+@pytest.mark.parametrize("unit", ("s", "d", "min", "h", "a"))
 def test_get_steps(unit):
     # Make a Results full of near-empty Result instances
     # Just fill out a time schedule

From 3c22a405fee0ebed2600a5ccacb1bd8f73939e7e Mon Sep 17 00:00:00 2001
From: shimwell <mail@jshimwell.com>
Date: Tue, 2 Aug 2022 20:29:19 +0100
Subject: [PATCH 0731/2654] added doc strings for time_units

---
 openmc/deplete/results.py                    | 23 ++++++++++++++++----
 tests/unit_tests/test_deplete_resultslist.py |  2 +-
 2 files changed, 20 insertions(+), 5 deletions(-)

diff --git a/openmc/deplete/results.py b/openmc/deplete/results.py
index 6feac89b6..017c9c668 100644
--- a/openmc/deplete/results.py
+++ b/openmc/deplete/results.py
@@ -16,6 +16,17 @@ __all__ = ["Results", "ResultsList"]
 
 
 def _get_time_as(seconds, units):
+    """Converts the time in seconds to time in different units
+
+    Parameters
+    ----------
+    seconds : float
+        The time to convert expressed in seconds
+    units : {"s", "min", "h", "d", "a"}
+        The units to convert time into. Available options are seconds ``"s"``,
+        minutes ``"min"``, hours ``"hours"`` days ``"d"``, years ``"a"``
+
+    """
     if units == "a":
         return seconds / (60 * 60 * 24 * 365.25)  # 365.25 due to the leap year
     if units == "d":
@@ -99,7 +110,8 @@ class Results(list):
             .. versionadded:: 0.12
         time_units : {"s", "min", "h", "d", "a"}, optional
             Units for the returned time array. Default is ``"s"`` to
-            return the value in seconds.
+            return the value in seconds. Other options are minutes ``"min"``,
+            hours ``"hours"``, days ``"d"``, years ``"a"``
 
             .. versionadded:: 0.12
 
@@ -193,7 +205,8 @@ class Results(list):
         Parameters
         ----------
         time_units : {"s", "d", "min", "h", "a"}, optional
-            Desired units for the times array
+            Desired units for the times array. Options are seconds ``"s"``
+            minutes ``"min"``, hours ``"hours"``, days ``"d"``, years ``"a"``
 
         Returns
         -------
@@ -261,7 +274,8 @@ class Results(list):
         ----------
         time_units : {"s", "d", "min", "h", "a"}, optional
             Return the vector in these units. Default is to
-            convert to days
+            convert to days ``"d"``. Other options are seconds ``"s"``, minutes
+            ``"min"``, hours ``"hours"``, years ``"a"`` 
 
         Returns
         -------
@@ -299,7 +313,8 @@ class Results(list):
         time : float
             Desired point in time
         time_units : {"s", "d", "min", "h", "a"}, optional
-            Units on ``time``. Default: days
+            Units on ``time``. Default: days ``"d"``. Other options are seconds
+            ``"s"``, minutes ``"min"``, hours ``"hours"`` and years ``"a"``
         atol : float, optional
             Absolute tolerance (in ``time_units``) if ``time`` is not
             found.
diff --git a/tests/unit_tests/test_deplete_resultslist.py b/tests/unit_tests/test_deplete_resultslist.py
index 175f75b21..4d8808c2f 100644
--- a/tests/unit_tests/test_deplete_resultslist.py
+++ b/tests/unit_tests/test_deplete_resultslist.py
@@ -77,7 +77,7 @@ def test_get_steps(unit):
     results = openmc.deplete.Results()
     # Time in units of unit
     times = np.linspace(0, 100, num=5)
-    if unit == "y":
+    if unit == "a":
         conversion_to_seconds = 60 * 60 * 24 * 365.25
     elif unit == "d":
         conversion_to_seconds = 60 * 60 * 24

From ea926ef84a2b5c89a661c04f957269aecfc3f6bd Mon Sep 17 00:00:00 2001
From: shimwell <mail@jshimwell.com>
Date: Tue, 2 Aug 2022 20:36:42 +0100
Subject: [PATCH 0732/2654] specified that year is Julian in docstring

---
 openmc/deplete/results.py | 8 ++++++--
 1 file changed, 6 insertions(+), 2 deletions(-)

diff --git a/openmc/deplete/results.py b/openmc/deplete/results.py
index 017c9c668..9d4913300 100644
--- a/openmc/deplete/results.py
+++ b/openmc/deplete/results.py
@@ -111,7 +111,8 @@ class Results(list):
         time_units : {"s", "min", "h", "d", "a"}, optional
             Units for the returned time array. Default is ``"s"`` to
             return the value in seconds. Other options are minutes ``"min"``,
-            hours ``"hours"``, days ``"d"``, years ``"a"``
+            hours ``"hours"``, days ``"d"``, years ``"a"`` (Julian year 365.25
+            days).
 
             .. versionadded:: 0.12
 
@@ -207,6 +208,7 @@ class Results(list):
         time_units : {"s", "d", "min", "h", "a"}, optional
             Desired units for the times array. Options are seconds ``"s"``
             minutes ``"min"``, hours ``"hours"``, days ``"d"``, years ``"a"``
+            (Julian year 365.25 days).
 
         Returns
         -------
@@ -275,7 +277,8 @@ class Results(list):
         time_units : {"s", "d", "min", "h", "a"}, optional
             Return the vector in these units. Default is to
             convert to days ``"d"``. Other options are seconds ``"s"``, minutes
-            ``"min"``, hours ``"hours"``, years ``"a"`` 
+            ``"min"``, hours ``"hours"``, years ``"a"`` (Julian year 365.25
+            days).
 
         Returns
         -------
@@ -315,6 +318,7 @@ class Results(list):
         time_units : {"s", "d", "min", "h", "a"}, optional
             Units on ``time``. Default: days ``"d"``. Other options are seconds
             ``"s"``, minutes ``"min"``, hours ``"hours"`` and years ``"a"``
+            (Julian year 365.25 days)
         atol : float, optional
             Absolute tolerance (in ``time_units``) if ``time`` is not
             found.

From 8965dd1e66f53db42f607e165c504ba354d65c64 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 2 Aug 2022 22:11:37 -0500
Subject: [PATCH 0733/2654] Check for macroscopic data in materials when
 running Universe.plot

---
 openmc/universe.py | 7 +++++++
 1 file changed, 7 insertions(+)

diff --git a/openmc/universe.py b/openmc/universe.py
index 78f75bbfc..7dee19313 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -334,6 +334,13 @@ class Universe(UniverseBase):
             if seed is not None:
                 model.settings.seed = seed
 
+            # Determine whether any materials contains macroscopic data and if
+            # so, set energy mode accordingly
+            for mat in self.get_all_materials().values():
+                if mat._macroscopic is not None:
+                    model.settings.energy_mode = 'multi-group'
+                    break
+
             # Create plot object matching passed arguments
             plot = openmc.Plot()
             plot.origin = origin

From 17482d4fbe6a61aafb5369693549ef86bd04ec93 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 3 Aug 2022 06:45:38 -0500
Subject: [PATCH 0734/2654] Change ordering of halfspaces for
 RectangularParallelepiped -/+

---
 openmc/model/surface_composite.py            | 4 ++--
 tests/regression_tests/torus/inputs_true.dat | 2 +-
 2 files changed, 3 insertions(+), 3 deletions(-)

diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index 6271154fb..51019b0d8 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -451,10 +451,10 @@ class RectangularParallelepiped(CompositeSurface):
         self.zmax = openmc.ZPlane(z0=zmax, **kwargs)
 
     def __neg__(self):
-        return +self.xmin & -self.xmax & +self.ymin & -self.ymax & +self.zmin & -self.zmax
+        return -self.xmax & +self.xmin & -self.ymax & +self.ymin & -self.zmax & +self.zmin
 
     def __pos__(self):
-        return -self.xmin | +self.xmax | -self.ymin | +self.ymax | -self.zmin | +self.zmax
+        return +self.xmax | -self.xmin | +self.ymax | -self.ymin | +self.zmax | -self.zmin
 
 
 class XConeOneSided(CompositeSurface):
diff --git a/tests/regression_tests/torus/inputs_true.dat b/tests/regression_tests/torus/inputs_true.dat
index 0045d7e46..0ccbda400 100644
--- a/tests/regression_tests/torus/inputs_true.dat
+++ b/tests/regression_tests/torus/inputs_true.dat
@@ -3,7 +3,7 @@
   <cell id="1" material="1" region="-2" universe="1" />
   <cell id="2" material="1" region="-3" universe="1" />
   <cell id="3" material="1" region="-1" universe="1" />
-  <cell id="4" material="2" region="4 -5 6 -7 8 -9 2 3 1" universe="1" />
+  <cell id="4" material="2" region="-5 4 -7 6 -9 8 2 3 1" universe="1" />
   <surface coeffs="0.0 0.0 0.0 3 1.5 1" id="1" type="z-torus" />
   <surface coeffs="6 0.0 0.0 3 1.5 1" id="2" type="x-torus" />
   <surface coeffs="6 0.0 0.0 6 1 0.75" id="3" type="y-torus" />

From aa5526aab6e8ea75af389cf63daf9a43f4fff196 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <drshimwell@gmail.com>
Date: Wed, 3 Aug 2022 13:49:30 +0100
Subject: [PATCH 0735/2654] Review suggestions from @paulromano

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/deplete/results.py | 17 +++++++----------
 1 file changed, 7 insertions(+), 10 deletions(-)

diff --git a/openmc/deplete/results.py b/openmc/deplete/results.py
index 9d4913300..7e1c6431e 100644
--- a/openmc/deplete/results.py
+++ b/openmc/deplete/results.py
@@ -24,7 +24,7 @@ def _get_time_as(seconds, units):
         The time to convert expressed in seconds
     units : {"s", "min", "h", "d", "a"}
         The units to convert time into. Available options are seconds ``"s"``,
-        minutes ``"min"``, hours ``"hours"`` days ``"d"``, years ``"a"``
+        minutes ``"min"``, hours ``"h"`` days ``"d"``, Julian years ``"a"``
 
     """
     if units == "a":
@@ -111,8 +111,7 @@ class Results(list):
         time_units : {"s", "min", "h", "d", "a"}, optional
             Units for the returned time array. Default is ``"s"`` to
             return the value in seconds. Other options are minutes ``"min"``,
-            hours ``"hours"``, days ``"d"``, years ``"a"`` (Julian year 365.25
-            days).
+            hours ``"h"``, days ``"d"``, and Julian years ``"a"``.
 
             .. versionadded:: 0.12
 
@@ -206,9 +205,9 @@ class Results(list):
         Parameters
         ----------
         time_units : {"s", "d", "min", "h", "a"}, optional
-            Desired units for the times array. Options are seconds ``"s"``
-            minutes ``"min"``, hours ``"hours"``, days ``"d"``, years ``"a"``
-            (Julian year 365.25 days).
+            Desired units for the times array. Options are seconds ``"s"``,
+            minutes ``"min"``, hours ``"h"``, days ``"d"``, and Julian years
+            ``"a"``.
 
         Returns
         -------
@@ -277,8 +276,7 @@ class Results(list):
         time_units : {"s", "d", "min", "h", "a"}, optional
             Return the vector in these units. Default is to
             convert to days ``"d"``. Other options are seconds ``"s"``, minutes
-            ``"min"``, hours ``"hours"``, years ``"a"`` (Julian year 365.25
-            days).
+            ``"min"``, hours ``"h"``, days ``"d"``, and Julian years ``"a"``.
 
         Returns
         -------
@@ -317,8 +315,7 @@ class Results(list):
             Desired point in time
         time_units : {"s", "d", "min", "h", "a"}, optional
             Units on ``time``. Default: days ``"d"``. Other options are seconds
-            ``"s"``, minutes ``"min"``, hours ``"hours"`` and years ``"a"``
-            (Julian year 365.25 days)
+            ``"s"``, minutes ``"min"``, hours ``"h"`` and Julian years ``"a"``.
         atol : float, optional
             Absolute tolerance (in ``time_units``) if ``time`` is not
             found.

From b32d121e22db8385e4a4dd7258328a4f30792074 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 20 Jul 2022 23:03:40 -0500
Subject: [PATCH 0736/2654] Use add_params decorator to cut down on repeated
 docstrings for MGXS classes

---
 openmc/mgxs/mgxs.py | 962 +++-----------------------------------------
 1 file changed, 52 insertions(+), 910 deletions(-)

diff --git a/openmc/mgxs/mgxs.py b/openmc/mgxs/mgxs.py
index 453c1d099..387a98ea5 100644
--- a/openmc/mgxs/mgxs.py
+++ b/openmc/mgxs/mgxs.py
@@ -147,6 +147,11 @@ def _df_column_convert_to_bin(df, current_name, new_name, values_to_bin,
     df.rename(columns={current_name: new_name}, inplace=True)
 
 
+def add_params(cls):
+    cls.__doc__ += cls._params
+    return cls
+
+@add_params
 class MGXS:
     """An abstract multi-group cross section for some energy group structure
     within some spatial domain.
@@ -157,6 +162,9 @@ class MGXS:
 
     .. note:: Users should instantiate the subclasses of this abstract class.
 
+    """
+
+    _params = """
     Parameters
     ----------
     domain : openmc.Material or openmc.Cell or openmc.Universe or openmc.RegularMesh
@@ -2148,6 +2156,7 @@ class MGXS:
         return 'cm^-1' if xs_type == 'macro' else 'barns'
 
 
+@add_params
 class MatrixMGXS(MGXS):
     """An abstract multi-group cross section for some energy group structure
     within some spatial domain. This class is specifically intended for
@@ -2161,92 +2170,6 @@ class MatrixMGXS(MGXS):
 
     .. note:: Users should instantiate the subclasses of this abstract class.
 
-    Parameters
-    ----------
-    domain : openmc.Material or openmc.Cell or openmc.Universe or openmc.RegularMesh
-        The domain for spatial homogenization
-    domain_type : {'material', 'cell', 'distribcell', 'universe', 'mesh'}
-        The domain type for spatial homogenization
-    energy_groups : openmc.mgxs.EnergyGroups
-        The energy group structure for energy condensation
-    by_nuclide : bool
-        If true, computes cross sections for each nuclide in domain
-    name : str, optional
-        Name of the multi-group cross section. Used as a label to identify
-        tallies in OpenMC 'tallies.xml' file.
-    num_polar : Integral, optional
-        Number of equi-width polar angle bins for angle discretization;
-        defaults to one bin
-    num_azimuthal : Integral, optional
-        Number of equi-width azimuthal angle bins for angle discretization;
-        defaults to one bin
-
-    Attributes
-    ----------
-    name : str, optional
-        Name of the multi-group cross section
-    rxn_type : str
-        Reaction type (e.g., 'total', 'nu-fission', etc.)
-    by_nuclide : bool
-        If true, computes cross sections for each nuclide in domain
-    domain : openmc.Material or openmc.Cell or openmc.Universe or openmc.RegularMesh
-        Domain for spatial homogenization
-    domain_type : {'material', 'cell', 'distribcell', 'universe', 'mesh'}
-        Domain type for spatial homogenization
-    energy_groups : openmc.mgxs.EnergyGroups
-        Energy group structure for energy condensation
-    num_polar : Integral
-        Number of equi-width polar angle bins for angle discretization
-    num_azimuthal : Integral
-        Number of equi-width azimuthal angle bins for angle discretization
-    tally_trigger : openmc.Trigger
-        An (optional) tally precision trigger given to each tally used to
-        compute the cross section
-    scores : list of str
-        The scores in each tally used to compute the multi-group cross section
-    filters : list of openmc.Filter
-        The filters in each tally used to compute the multi-group cross section
-    tally_keys : list of str
-        The keys into the tallies dictionary for each tally used to compute
-        the multi-group cross section
-    estimator : {'tracklength', 'collision', 'analog'}
-        The tally estimator used to compute the multi-group cross section
-    tallies : collections.OrderedDict
-        OpenMC tallies needed to compute the multi-group cross section
-    rxn_rate_tally : openmc.Tally
-        Derived tally for the reaction rate tally used in the numerator to
-        compute the multi-group cross section. This attribute is None
-        unless the multi-group cross section has been computed.
-    xs_tally : openmc.Tally
-        Derived tally for the multi-group cross section. This attribute
-        is None unless the multi-group cross section has been computed.
-    num_subdomains : int
-        The number of subdomains is unity for 'material', 'cell' and 'universe'
-        domain types. This is equal to the number of cell instances
-        for 'distribcell' domain types (it is equal to unity prior to loading
-        tally data from a statepoint file) and the number of mesh cells for
-        'mesh' domain types.
-    num_nuclides : int
-        The number of nuclides for which the multi-group cross section is
-        being tracked. This is unity if the by_nuclide attribute is False.
-    nuclides : Iterable of str or 'sum'
-        The optional user-specified nuclides for which to compute cross
-        sections (e.g., 'U238', 'O16'). If by_nuclide is True but nuclides
-        are not specified by the user, all nuclides in the spatial domain
-        are included. This attribute is 'sum' if by_nuclide is false.
-    sparse : bool
-        Whether or not the MGXS' tallies use SciPy's LIL sparse matrix format
-        for compressed data storage
-    loaded_sp : bool
-        Whether or not a statepoint file has been loaded with tally data
-    derived : bool
-        Whether or not the MGXS is merged from one or more other MGXS
-    mgxs_type : str
-        The name of this MGXS type, to be used when printing and
-        indexing in an HDF5 data store
-
-        .. versionadded:: 0.13.1
-
     """
     @property
     def _dont_squeeze(self):
@@ -2631,6 +2554,7 @@ class MatrixMGXS(MGXS):
         print(string)
 
 
+@add_params
 class TotalXS(MGXS):
     r"""A total multi-group cross section.
 
@@ -2657,98 +2581,11 @@ class TotalXS(MGXS):
        \sigma_t (r, E) \psi (r, E, \Omega)}{\int_{r \in V} dr \int_{4\pi}
        d\Omega \int_{E_g}^{E_{g-1}} dE \; \psi (r, E, \Omega)}.
 
-    Parameters
-    ----------
-    domain : openmc.Material or openmc.Cell or openmc.Universe or openmc.RegularMesh
-        The domain for spatial homogenization
-    domain_type : {'material', 'cell', 'distribcell', 'universe', 'mesh'}
-        The domain type for spatial homogenization
-    groups : openmc.mgxs.EnergyGroups
-        The energy group structure for energy condensation
-    by_nuclide : bool
-        If true, computes cross sections for each nuclide in domain
-    name : str, optional
-        Name of the multi-group cross section. Used as a label to identify
-        tallies in OpenMC 'tallies.xml' file.
-    num_polar : Integral, optional
-        Number of equi-width polar angle bins for angle discretization;
-        defaults to one bin
-    num_azimuthal : Integral, optional
-        Number of equi-width azimuthal angle bins for angle discretization;
-        defaults to one bin
-
-    Attributes
-    ----------
-    name : str, optional
-        Name of the multi-group cross section
-    rxn_type : str
-        Reaction type (e.g., 'total', 'nu-fission', etc.)
-    by_nuclide : bool
-        If true, computes cross sections for each nuclide in domain
-    domain : openmc.Material or openmc.Cell or openmc.Universe or openmc.RegularMesh
-        Domain for spatial homogenization
-    domain_type : {'material', 'cell', 'distribcell', 'universe', 'mesh'}
-        Domain type for spatial homogenization
-    energy_groups : openmc.mgxs.EnergyGroups
-        Energy group structure for energy condensation
-    num_polar : Integral
-        Number of equi-width polar angle bins for angle discretization
-    num_azimuthal : Integral
-        Number of equi-width azimuthal angle bins for angle discretization
-    tally_trigger : openmc.Trigger
-        An (optional) tally precision trigger given to each tally used to
-        compute the cross section
-    scores : list of str
-        The scores in each tally used to compute the multi-group cross section
-    filters : list of openmc.Filter
-        The filters in each tally used to compute the multi-group cross section
-    tally_keys : list of str
-        The keys into the tallies dictionary for each tally used to compute
-        the multi-group cross section
-    estimator : {'tracklength', 'collision', 'analog'}
-        The tally estimator used to compute the multi-group cross section
-    tallies : collections.OrderedDict
-        OpenMC tallies needed to compute the multi-group cross section. The keys
-        are strings listed in the :attr:`TotalXS.tally_keys` property and values
-        are instances of :class:`openmc.Tally`.
-    rxn_rate_tally : openmc.Tally
-        Derived tally for the reaction rate tally used in the numerator to
-        compute the multi-group cross section. This attribute is None
-        unless the multi-group cross section has been computed.
-    xs_tally : openmc.Tally
-        Derived tally for the multi-group cross section. This attribute
-        is None unless the multi-group cross section has been computed.
-    num_subdomains : int
-        The number of subdomains is unity for 'material', 'cell' and 'universe'
-        domain types. This is equal to the number of cell instances
-        for 'distribcell' domain types (it is equal to unity prior to loading
-        tally data from a statepoint file).
-    num_nuclides : int
-        The number of nuclides for which the multi-group cross section is
-        being tracked. This is unity if the by_nuclide attribute is False.
-    nuclides : Iterable of str or 'sum'
-        The optional user-specified nuclides for which to compute cross
-        sections (e.g., 'U238', 'O16'). If by_nuclide is True but nuclides
-        are not specified by the user, all nuclides in the spatial domain
-        are included. This attribute is 'sum' if by_nuclide is false.
-    sparse : bool
-        Whether or not the MGXS' tallies use SciPy's LIL sparse matrix format
-        for compressed data storage
-    loaded_sp : bool
-        Whether or not a statepoint file has been loaded with tally data
-    derived : bool
-        Whether or not the MGXS is merged from one or more other MGXS
-    mgxs_type : str
-        The name of this MGXS type, to be used when printing and
-        indexing in an HDF5 data store
-
-        .. versionadded:: 0.13.1
-
     """
 
-    def __init__(self, domain=None, domain_type=None, groups=None,
+    def __init__(self, domain=None, domain_type=None, energy_groups=None,
                  by_nuclide=False, name='', num_polar=1, num_azimuthal=1):
-        super().__init__(domain, domain_type, groups, by_nuclide, name,
+        super().__init__(domain, domain_type, energy_groups, by_nuclide, name,
                          num_polar, num_azimuthal)
         self._rxn_type = 'total'
 
@@ -2887,9 +2724,9 @@ class TransportXS(MGXS):
 
     """
 
-    def __init__(self, domain=None, domain_type=None, groups=None, nu=False,
+    def __init__(self, domain=None, domain_type=None, energy_groups=None, nu=False,
                  by_nuclide=False, name='', num_polar=1, num_azimuthal=1):
-        super().__init__(domain, domain_type, groups, by_nuclide, name,
+        super().__init__(domain, domain_type, energy_groups, by_nuclide, name,
                          num_polar, num_azimuthal)
 
         # Use tracklength estimators for the total MGXS term, and
@@ -3128,9 +2965,9 @@ class DiffusionCoefficient(TransportXS):
 
     """
 
-    def __init__(self, domain=None, domain_type=None, groups=None, nu=False,
+    def __init__(self, domain=None, domain_type=None, energy_groups=None, nu=False,
                  by_nuclide=False, name='', num_polar=1, num_azimuthal=1):
-        super(DiffusionCoefficient, self).__init__(domain, domain_type, groups,
+        super(DiffusionCoefficient, self).__init__(domain, domain_type, energy_groups,
                                                    nu, by_nuclide, name,
                                                    num_polar, num_azimuthal)
         if not nu:
@@ -3194,6 +3031,7 @@ class DiffusionCoefficient(TransportXS):
 
         return self._xs_tally
 
+@add_params
 class AbsorptionXS(MGXS):
     r"""An absorption multi-group cross section.
 
@@ -3224,103 +3062,16 @@ class AbsorptionXS(MGXS):
        \sigma_a (r, E) \psi (r, E, \Omega)}{\int_{r \in V} dr \int_{4\pi}
        d\Omega \int_{E_g}^{E_{g-1}} dE \; \psi (r, E, \Omega)}.
 
-    Parameters
-    ----------
-    domain : openmc.Material or openmc.Cell or openmc.Universe or openmc.RegularMesh
-        The domain for spatial homogenization
-    domain_type : {'material', 'cell', 'distribcell', 'universe', 'mesh'}
-        The domain type for spatial homogenization
-    groups : openmc.mgxs.EnergyGroups
-        The energy group structure for energy condensation
-    by_nuclide : bool
-        If true, computes cross sections for each nuclide in domain
-    name : str, optional
-        Name of the multi-group cross section. Used as a label to identify
-        tallies in OpenMC 'tallies.xml' file.
-    num_polar : Integral, optional
-        Number of equi-width polar angle bins for angle discretization;
-        defaults to one bin
-    num_azimuthal : Integral, optional
-        Number of equi-width azimuthal angle bins for angle discretization;
-        defaults to one bin
-
-    Attributes
-    ----------
-    name : str, optional
-        Name of the multi-group cross section
-    rxn_type : str
-        Reaction type (e.g., 'total', 'nu-fission', etc.)
-    by_nuclide : bool
-        If true, computes cross sections for each nuclide in domain
-    domain : openmc.Material or openmc.Cell or openmc.Universe or openmc.RegularMesh
-        Domain for spatial homogenization
-    domain_type : {'material', 'cell', 'distribcell', 'universe', 'mesh'}
-        Domain type for spatial homogenization
-    energy_groups : openmc.mgxs.EnergyGroups
-        Energy group structure for energy condensation
-    num_polar : Integral
-        Number of equi-width polar angle bins for angle discretization
-    num_azimuthal : Integral
-        Number of equi-width azimuthal angle bins for angle discretization
-    tally_trigger : openmc.Trigger
-        An (optional) tally precision trigger given to each tally used to
-        compute the cross section
-    scores : list of str
-        The scores in each tally used to compute the multi-group cross section
-    filters : list of openmc.Filter
-        The filters in each tally used to compute the multi-group cross section
-    tally_keys : list of str
-        The keys into the tallies dictionary for each tally used to compute
-        the multi-group cross section
-    estimator : {'tracklength', 'collision', 'analog'}
-        The tally estimator used to compute the multi-group cross section
-    tallies : collections.OrderedDict
-        OpenMC tallies needed to compute the multi-group cross section. The keys
-        are strings listed in the :attr:`AbsorptionXS.tally_keys` property and
-        values are instances of :class:`openmc.Tally`.
-    rxn_rate_tally : openmc.Tally
-        Derived tally for the reaction rate tally used in the numerator to
-        compute the multi-group cross section. This attribute is None
-        unless the multi-group cross section has been computed.
-    xs_tally : openmc.Tally
-        Derived tally for the multi-group cross section. This attribute
-        is None unless the multi-group cross section has been computed.
-    num_subdomains : int
-        The number of subdomains is unity for 'material', 'cell' and 'universe'
-        domain types. This is equal to the number of cell instances
-        for 'distribcell' domain types (it is equal to unity prior to loading
-        tally data from a statepoint file) and the number of mesh cells for
-        'mesh' domain types.
-    num_nuclides : int
-        The number of nuclides for which the multi-group cross section is
-        being tracked. This is unity if the by_nuclide attribute is False.
-    nuclides : Iterable of str or 'sum'
-        The optional user-specified nuclides for which to compute cross
-        sections (e.g., 'U238', 'O16'). If by_nuclide is True but nuclides
-        are not specified by the user, all nuclides in the spatial domain
-        are included. This attribute is 'sum' if by_nuclide is false.
-    sparse : bool
-        Whether or not the MGXS' tallies use SciPy's LIL sparse matrix format
-        for compressed data storage
-    loaded_sp : bool
-        Whether or not a statepoint file has been loaded with tally data
-    derived : bool
-        Whether or not the MGXS is merged from one or more other MGXS
-    mgxs_type : str
-        The name of this MGXS type, to be used when printing and
-        indexing in an HDF5 data store
-
-        .. versionadded:: 0.13.1
-
     """
 
-    def __init__(self, domain=None, domain_type=None, groups=None,
+    def __init__(self, domain=None, domain_type=None, energy_groups=None,
                  by_nuclide=False, name='', num_polar=1, num_azimuthal=1):
-        super().__init__(domain, domain_type, groups, by_nuclide, name,
+        super().__init__(domain, domain_type, energy_groups, by_nuclide, name,
                          num_polar, num_azimuthal)
         self._rxn_type = 'absorption'
 
 
+@add_params
 class CaptureXS(MGXS):
     r"""A capture multi-group cross section.
 
@@ -3354,98 +3105,11 @@ class CaptureXS(MGXS):
        \Omega) \right ]}{\int_{r \in V} dr \int_{4\pi} d\Omega
        \int_{E_g}^{E_{g-1}} dE \; \psi (r, E, \Omega)}.
 
-    Parameters
-    ----------
-    domain : openmc.Material or openmc.Cell or openmc.Universe or openmc.RegularMesh
-        The domain for spatial homogenization
-    domain_type : {'material', 'cell', 'distribcell', 'universe', 'mesh'}
-        The domain type for spatial homogenization
-    groups : openmc.mgxs.EnergyGroups
-        The energy group structure for energy condensation
-    by_nuclide : bool
-        If true, computes cross sections for each nuclide in domain
-    name : str, optional
-        Name of the multi-group cross section. Used as a label to identify
-        tallies in OpenMC 'tallies.xml' file.
-    num_polar : Integral, optional
-        Number of equi-width polar angle bins for angle discretization;
-        defaults to one bin
-    num_azimuthal : Integral, optional
-        Number of equi-width azimuthal angle bins for angle discretization;
-        defaults to one bin
-
-    Attributes
-    ----------
-    name : str, optional
-        Name of the multi-group cross section
-    rxn_type : str
-        Reaction type (e.g., 'total', 'nu-fission', etc.)
-    by_nuclide : bool
-        If true, computes cross sections for each nuclide in domain
-    domain : openmc.Material or openmc.Cell or openmc.Universe or openmc.RegularMesh
-        Domain for spatial homogenization
-    domain_type : {'material', 'cell', 'distribcell', 'universe', 'mesh'}
-        Domain type for spatial homogenization
-    energy_groups : openmc.mgxs.EnergyGroups
-        Energy group structure for energy condensation
-    num_polar : Integral
-        Number of equi-width polar angle bins for angle discretization
-    num_azimuthal : Integral
-        Number of equi-width azimuthal angle bins for angle discretization
-    tally_trigger : openmc.Trigger
-        An (optional) tally precision trigger given to each tally used to
-        compute the cross section
-    scores : list of str
-        The scores in each tally used to compute the multi-group cross section
-    filters : list of openmc.Filter
-        The filters in each tally used to compute the multi-group cross section
-    tally_keys : list of str
-        The keys into the tallies dictionary for each tally used to compute
-        the multi-group cross section
-    estimator : {'tracklength', 'collision', 'analog'}
-        The tally estimator used to compute the multi-group cross section
-    tallies : collections.OrderedDict
-        OpenMC tallies needed to compute the multi-group cross section. The keys
-        are strings listed in the :attr:`CaptureXS.tally_keys` property and
-        values are instances of :class:`openmc.Tally`.
-    rxn_rate_tally : openmc.Tally
-        Derived tally for the reaction rate tally used in the numerator to
-        compute the multi-group cross section. This attribute is None
-        unless the multi-group cross section has been computed.
-    xs_tally : openmc.Tally
-        Derived tally for the multi-group cross section. This attribute
-        is None unless the multi-group cross section has been computed.
-    num_subdomains : int
-        The number of subdomains is unity for 'material', 'cell' and 'universe'
-        domain types. This is equal to the number of cell instances
-        for 'distribcell' domain types (it is equal to unity prior to loading
-        tally data from a statepoint file).
-    num_nuclides : int
-        The number of nuclides for which the multi-group cross section is
-        being tracked. This is unity if the by_nuclide attribute is False.
-    nuclides : Iterable of str or 'sum'
-        The optional user-specified nuclides for which to compute cross
-        sections (e.g., 'U238', 'O16'). If by_nuclide is True but nuclides
-        are not specified by the user, all nuclides in the spatial domain
-        are included. This attribute is 'sum' if by_nuclide is false.
-    sparse : bool
-        Whether or not the MGXS' tallies use SciPy's LIL sparse matrix format
-        for compressed data storage
-    loaded_sp : bool
-        Whether or not a statepoint file has been loaded with tally data
-    derived : bool
-        Whether or not the MGXS is merged from one or more other MGXS
-    mgxs_type : str
-        The name of this MGXS type, to be used when printing and
-        indexing in an HDF5 data store
-
-        .. versionadded:: 0.13.1
-
     """
 
-    def __init__(self, domain=None, domain_type=None, groups=None,
+    def __init__(self, domain=None, domain_type=None, energy_groups=None,
                  by_nuclide=False, name='', num_polar=1, num_azimuthal=1):
-        super().__init__(domain, domain_type, groups, by_nuclide, name,
+        super().__init__(domain, domain_type, energy_groups, by_nuclide, name,
                          num_polar, num_azimuthal)
         self._rxn_type = 'capture'
 
@@ -3599,10 +3263,10 @@ class FissionXS(MGXS):
 
     """
 
-    def __init__(self, domain=None, domain_type=None, groups=None, nu=False,
+    def __init__(self, domain=None, domain_type=None, energy_groups=None, nu=False,
                  prompt=False, by_nuclide=False, name='', num_polar=1,
                  num_azimuthal=1):
-        super().__init__(domain, domain_type, groups, by_nuclide, name,
+        super().__init__(domain, domain_type, energy_groups, by_nuclide, name,
                          num_polar, num_azimuthal)
         self._nu = False
         self._prompt = False
@@ -3648,6 +3312,7 @@ class FissionXS(MGXS):
             self._rxn_type = 'prompt-nu-fission'
 
 
+@add_params
 class KappaFissionXS(MGXS):
     r"""A recoverable fission energy production rate multi-group cross section.
 
@@ -3681,98 +3346,11 @@ class KappaFissionXS(MGXS):
        \kappa\sigma_f (r, E) \psi (r, E, \Omega)}{\int_{r \in V} dr \int_{4\pi}
        d\Omega \int_{E_g}^{E_{g-1}} dE \; \psi (r, E, \Omega)}.
 
-    Parameters
-    ----------
-    domain : openmc.Material or openmc.Cell or openmc.Universe or openmc.RegularMesh
-        The domain for spatial homogenization
-    domain_type : {'material', 'cell', 'distribcell', 'universe', 'mesh'}
-        The domain type for spatial homogenization
-    groups : openmc.mgxs.EnergyGroups
-        The energy group structure for energy condensation
-    by_nuclide : bool
-        If true, computes cross sections for each nuclide in domain
-    name : str, optional
-        Name of the multi-group cross section. Used as a label to identify
-        tallies in OpenMC 'tallies.xml' file.
-    num_polar : Integral, optional
-        Number of equi-width polar angle bins for angle discretization;
-        defaults to one bin
-    num_azimuthal : Integral, optional
-        Number of equi-width azimuthal angle bins for angle discretization;
-        defaults to one bin
-
-    Attributes
-    ----------
-    name : str, optional
-        Name of the multi-group cross section
-    rxn_type : str
-        Reaction type (e.g., 'total', 'nu-fission', etc.)
-    by_nuclide : bool
-        If true, computes cross sections for each nuclide in domain
-    domain : openmc.Material or openmc.Cell or openmc.Universe or openmc.RegularMesh
-        Domain for spatial homogenization
-    domain_type : {'material', 'cell', 'distribcell', 'universe', 'mesh'}
-        Domain type for spatial homogenization
-    energy_groups : openmc.mgxs.EnergyGroups
-        Energy group structure for energy condensation
-    num_polar : Integral
-        Number of equi-width polar angle bins for angle discretization
-    num_azimuthal : Integral
-        Number of equi-width azimuthal angle bins for angle discretization
-    tally_trigger : openmc.Trigger
-        An (optional) tally precision trigger given to each tally used to
-        compute the cross section
-    scores : list of str
-        The scores in each tally used to compute the multi-group cross section
-    filters : list of openmc.Filter
-        The filters in each tally used to compute the multi-group cross section
-    tally_keys : list of str
-        The keys into the tallies dictionary for each tally used to compute
-        the multi-group cross section
-    estimator : {'tracklength', 'collision', 'analog'}
-        The tally estimator used to compute the multi-group cross section
-    tallies : collections.OrderedDict
-        OpenMC tallies needed to compute the multi-group cross section. The keys
-        are strings listed in the :attr:`KappaFissionXS.tally_keys` property and
-        values are instances of :class:`openmc.Tally`.
-    rxn_rate_tally : openmc.Tally
-        Derived tally for the reaction rate tally used in the numerator to
-        compute the multi-group cross section. This attribute is None
-        unless the multi-group cross section has been computed.
-    xs_tally : openmc.Tally
-        Derived tally for the multi-group cross section. This attribute
-        is None unless the multi-group cross section has been computed.
-    num_subdomains : int
-        The number of subdomains is unity for 'material', 'cell' and 'universe'
-        domain types. This is equal to the number of cell instances
-        for 'distribcell' domain types (it is equal to unity prior to loading
-        tally data from a statepoint file).
-    num_nuclides : int
-        The number of nuclides for which the multi-group cross section is
-        being tracked. This is unity if the by_nuclide attribute is False.
-    nuclides : Iterable of str or 'sum'
-        The optional user-specified nuclides for which to compute cross
-        sections (e.g., 'U238', 'O16'). If by_nuclide is True but nuclides
-        are not specified by the user, all nuclides in the spatial domain
-        are included. This attribute is 'sum' if by_nuclide is false.
-    sparse : bool
-        Whether or not the MGXS' tallies use SciPy's LIL sparse matrix format
-        for compressed data storage
-    loaded_sp : bool
-        Whether or not a statepoint file has been loaded with tally data
-    derived : bool
-        Whether or not the MGXS is merged from one or more other MGXS
-    mgxs_type : str
-        The name of this MGXS type, to be used when printing and
-        indexing in an HDF5 data store
-
-        .. versionadded:: 0.13.1
-
     """
 
-    def __init__(self, domain=None, domain_type=None, groups=None,
+    def __init__(self, domain=None, domain_type=None, energy_groups=None,
                  by_nuclide=False, name='', num_polar=1, num_azimuthal=1):
-        super().__init__(domain, domain_type, groups, by_nuclide, name,
+        super().__init__(domain, domain_type, energy_groups, by_nuclide, name,
                          num_polar, num_azimuthal)
         self._rxn_type = 'kappa-fission'
 
@@ -3904,10 +3482,10 @@ class ScatterXS(MGXS):
 
     """
 
-    def __init__(self, domain=None, domain_type=None, groups=None,
+    def __init__(self, domain=None, domain_type=None, energy_groups=None,
                  by_nuclide=False, name='', num_polar=1,
                  num_azimuthal=1, nu=False):
-        super().__init__(domain, domain_type, groups, by_nuclide, name,
+        super().__init__(domain, domain_type, energy_groups, by_nuclide, name,
                          num_polar, num_azimuthal)
         self.nu = nu
 
@@ -3932,6 +3510,7 @@ class ScatterXS(MGXS):
             self._valid_estimators = ['analog']
 
 
+@add_params
 class ArbitraryXS(MGXS):
     r"""A multi-group cross section for an arbitrary reaction type.
 
@@ -3960,105 +3539,17 @@ class ArbitraryXS(MGXS):
 
     where :math:`\sigma_X` is the requested reaction type of interest.
 
-    Parameters
-    ----------
-    rxn_type : str
-        Reaction type (e.g., '(n,2n)', '(n,Xt)', etc.)
-    domain : openmc.Material or openmc.Cell or openmc.Universe or openmc.RegularMesh
-        The domain for spatial homogenization
-    domain_type : {'material', 'cell', 'distribcell', 'universe', 'mesh'}
-        The domain type for spatial homogenization
-    groups : openmc.mgxs.EnergyGroups
-        The energy group structure for energy condensation
-    by_nuclide : bool
-        If true, computes cross sections for each nuclide in domain
-    name : str, optional
-        Name of the multi-group cross section. Used as a label to identify
-        tallies in OpenMC 'tallies.xml' file.
-    num_polar : Integral, optional
-        Number of equi-width polar angle bins for angle discretization;
-        defaults to one bin
-    num_azimuthal : Integral, optional
-        Number of equi-width azimuthal angle bins for angle discretization;
-        defaults to one bin
-
-    Attributes
-    ----------
-    name : str, optional
-        Name of the multi-group cross section
-    rxn_type : str
-        Reaction type (e.g., '(n,2n)', '(n,Xt)', etc.)
-    by_nuclide : bool
-        If true, computes cross sections for each nuclide in domain
-    domain : openmc.Material or openmc.Cell or openmc.Universe or openmc.RegularMesh
-        Domain for spatial homogenization
-    domain_type : {'material', 'cell', 'distribcell', 'universe', 'mesh'}
-        Domain type for spatial homogenization
-    energy_groups : openmc.mgxs.EnergyGroups
-        Energy group structure for energy condensation
-    num_polar : Integral
-        Number of equi-width polar angle bins for angle discretization
-    num_azimuthal : Integral
-        Number of equi-width azimuthal angle bins for angle discretization
-    tally_trigger : openmc.Trigger
-        An (optional) tally precision trigger given to each tally used to
-        compute the cross section
-    scores : list of str
-        The scores in each tally used to compute the multi-group cross section
-    filters : list of openmc.Filter
-        The filters in each tally used to compute the multi-group cross section
-    tally_keys : list of str
-        The keys into the tallies dictionary for each tally used to compute
-        the multi-group cross section
-    estimator : {'tracklength', 'collision', 'analog'}
-        The tally estimator used to compute the multi-group cross section
-    tallies : collections.OrderedDict
-        OpenMC tallies needed to compute the multi-group cross section. The keys
-        are strings listed in the :attr:`TotalXS.tally_keys` property and values
-        are instances of :class:`openmc.Tally`.
-    rxn_rate_tally : openmc.Tally
-        Derived tally for the reaction rate tally used in the numerator to
-        compute the multi-group cross section. This attribute is None
-        unless the multi-group cross section has been computed.
-    xs_tally : openmc.Tally
-        Derived tally for the multi-group cross section. This attribute
-        is None unless the multi-group cross section has been computed.
-    num_subdomains : int
-        The number of subdomains is unity for 'material', 'cell' and 'universe'
-        domain types. This is equal to the number of cell instances
-        for 'distribcell' domain types (it is equal to unity prior to loading
-        tally data from a statepoint file).
-    num_nuclides : int
-        The number of nuclides for which the multi-group cross section is
-        being tracked. This is unity if the by_nuclide attribute is False.
-    nuclides : Iterable of str or 'sum'
-        The optional user-specified nuclides for which to compute cross
-        sections (e.g., 'U238', 'O16'). If by_nuclide is True but nuclides
-        are not specified by the user, all nuclides in the spatial domain
-        are included. This attribute is 'sum' if by_nuclide is false.
-    sparse : bool
-        Whether or not the MGXS' tallies use SciPy's LIL sparse matrix format
-        for compressed data storage
-    loaded_sp : bool
-        Whether or not a statepoint file has been loaded with tally data
-    derived : bool
-        Whether or not the MGXS is merged from one or more other MGXS
-    mgxs_type : str
-        The name of this MGXS type, to be used when printing and
-        indexing in an HDF5 data store
-
-        .. versionadded:: 0.13.1
-
     """
 
-    def __init__(self, rxn_type, domain=None, domain_type=None, groups=None,
+    def __init__(self, rxn_type, domain=None, domain_type=None, energy_groups=None,
                  by_nuclide=False, name='', num_polar=1, num_azimuthal=1):
         cv.check_value("rxn_type", rxn_type, ARBITRARY_VECTOR_TYPES)
-        super().__init__(domain, domain_type, groups, by_nuclide, name,
+        super().__init__(domain, domain_type, energy_groups, by_nuclide, name,
                          num_polar, num_azimuthal)
         self._rxn_type = rxn_type
 
 
+@add_params
 class ArbitraryMatrixXS(MatrixMGXS):
     r"""A multi-group matrix cross section for an arbitrary reaction type.
 
@@ -4094,103 +3585,13 @@ class ArbitraryMatrixXS(MatrixMGXS):
 
     where :math:`\sigma_X` is the requested reaction type of interest.
 
-    Parameters
-    ----------
-    rxn_type : str
-        Reaction type (e.g., '(n,2n)', '(n,nta)', etc.). Valid names have
-        neutrons as a product.
-    domain : openmc.Material or openmc.Cell or openmc.Universe or openmc.RegularMesh
-        The domain for spatial homogenization
-    domain_type : {'material', 'cell', 'distribcell', 'universe', 'mesh'}
-        The domain type for spatial homogenization
-    groups : openmc.mgxs.EnergyGroups
-        The energy group structure for energy condensation
-    by_nuclide : bool
-        If true, computes cross sections for each nuclide in domain
-    name : str, optional
-        Name of the multi-group cross section. Used as a label to identify
-        tallies in OpenMC 'tallies.xml' file.
-    num_polar : Integral, optional
-        Number of equi-width polar angle bins for angle discretization;
-        defaults to one bin
-    num_azimuthal : Integral, optional
-        Number of equi-width azimuthal angle bins for angle discretization;
-        defaults to one bin
-
-    Attributes
-    ----------
-    name : str, optional
-        Name of the multi-group cross section
-    rxn_type : str
-        Reaction type (e.g., 'total', 'nu-fission', etc.)
-    by_nuclide : bool
-        If true, computes cross sections for each nuclide in domain
-    domain : openmc.Material or openmc.Cell or openmc.Universe or openmc.RegularMesh
-        Domain for spatial homogenization
-    domain_type : {'material', 'cell', 'distribcell', 'universe', 'mesh'}
-        Domain type for spatial homogenization
-    energy_groups : openmc.mgxs.EnergyGroups
-        Energy group structure for energy condensation
-    num_polar : Integral
-        Number of equi-width polar angle bins for angle discretization
-    num_azimuthal : Integral
-        Number of equi-width azimuthal angle bins for angle discretization
-    tally_trigger : openmc.Trigger
-        An (optional) tally precision trigger given to each tally used to
-        compute the cross section
-    scores : list of str
-        The scores in each tally used to compute the multi-group cross section
-    filters : list of openmc.Filter
-        The filters in each tally used to compute the multi-group cross section
-    tally_keys : list of str
-        The keys into the tallies dictionary for each tally used to compute
-        the multi-group cross section
-    estimator : 'analog'
-        The tally estimator used to compute the multi-group cross section
-    tallies : collections.OrderedDict
-        OpenMC tallies needed to compute the multi-group cross section. The keys
-        are strings listed in the :attr:`NuFissionMatrixXS.tally_keys`
-        property and values are instances of :class:`openmc.Tally`.
-    rxn_rate_tally : openmc.Tally
-        Derived tally for the reaction rate tally used in the numerator to
-        compute the multi-group cross section. This attribute is None
-        unless the multi-group cross section has been computed.
-    xs_tally : openmc.Tally
-        Derived tally for the multi-group cross section. This attribute
-        is None unless the multi-group cross section has been computed.
-    num_subdomains : int
-        The number of subdomains is unity for 'material', 'cell' and 'universe'
-        domain types. This is equal to the number of cell instances
-        for 'distribcell' domain types (it is equal to unity prior to loading
-        tally data from a statepoint file).
-    num_nuclides : int
-        The number of nuclides for which the multi-group cross section is
-        being tracked. This is unity if the by_nuclide attribute is False.
-    nuclides : Iterable of str or 'sum'
-        The optional user-specified nuclides for which to compute cross
-        sections (e.g., 'U238', 'O16'). If by_nuclide is True but nuclides
-        are not specified by the user, all nuclides in the spatial domain
-        are included. This attribute is 'sum' if by_nuclide is false.
-    sparse : bool
-        Whether or not the MGXS' tallies use SciPy's LIL sparse matrix format
-        for compressed data storage
-    loaded_sp : bool
-        Whether or not a statepoint file has been loaded with tally data
-    derived : bool
-        Whether or not the MGXS is merged from one or more other MGXS
-    mgxs_type : str
-        The name of this MGXS type, to be used when printing and
-        indexing in an HDF5 data store
-
-        .. versionadded:: 0.13.1
-
     """
 
-    def __init__(self, rxn_type, domain=None, domain_type=None, groups=None,
+    def __init__(self, rxn_type, domain=None, domain_type=None, energy_groups=None,
                  by_nuclide=False, name='', num_polar=1,
                  num_azimuthal=1):
         cv.check_value("rxn_type", rxn_type, ARBITRARY_MATRIX_TYPES)
-        super().__init__(domain, domain_type, groups, by_nuclide, name,
+        super().__init__(domain, domain_type, energy_groups, by_nuclide, name,
                          num_polar, num_azimuthal)
         self._rxn_type = rxn_type.split(" ")[0]
         self._estimator = 'analog'
@@ -4391,10 +3792,10 @@ class ScatterMatrixXS(MatrixMGXS):
 
     """
 
-    def __init__(self, domain=None, domain_type=None, groups=None,
+    def __init__(self, domain=None, domain_type=None, energy_groups=None,
                  by_nuclide=False, name='', num_polar=1,
                  num_azimuthal=1, nu=False):
-        super().__init__(domain, domain_type, groups, by_nuclide, name,
+        super().__init__(domain, domain_type, energy_groups, by_nuclide, name,
                          num_polar, num_azimuthal)
         self._formulation = 'simple'
         self._correction = 'P0'
@@ -5352,6 +4753,7 @@ class ScatterMatrixXS(MatrixMGXS):
         print(string)
 
 
+@add_params
 class MultiplicityMatrixXS(MatrixMGXS):
     r"""The scattering multiplicity matrix.
 
@@ -5392,93 +4794,6 @@ class MultiplicityMatrixXS(MatrixMGXS):
 
     where :math:`\upsilon_i` is the multiplicity for the :math:`i`-th reaction.
 
-    Parameters
-    ----------
-    domain : openmc.Material or openmc.Cell or openmc.Universe or openmc.RegularMesh
-        The domain for spatial homogenization
-    domain_type : {'material', 'cell', 'distribcell', 'universe', 'mesh'}
-        The domain type for spatial homogenization
-    groups : openmc.mgxs.EnergyGroups
-        The energy group structure for energy condensation
-    by_nuclide : bool
-        If true, computes cross sections for each nuclide in domain
-    name : str, optional
-        Name of the multi-group cross section. Used as a label to identify
-        tallies in OpenMC 'tallies.xml' file.
-    num_polar : Integral, optional
-        Number of equi-width polar angle bins for angle discretization;
-        defaults to one bin
-    num_azimuthal : Integral, optional
-        Number of equi-width azimuthal angle bins for angle discretization;
-        defaults to one bin
-
-    Attributes
-    ----------
-    name : str, optional
-        Name of the multi-group cross section
-    rxn_type : str
-        Reaction type (e.g., 'total', 'nu-fission', etc.)
-    by_nuclide : bool
-        If true, computes cross sections for each nuclide in domain
-    domain : openmc.Material or openmc.Cell or openmc.Universe or openmc.RegularMesh
-        Domain for spatial homogenization
-    domain_type : {'material', 'cell', 'distribcell', 'universe', 'mesh'}
-        Domain type for spatial homogenization
-    energy_groups : openmc.mgxs.EnergyGroups
-        Energy group structure for energy condensation
-    num_polar : Integral
-        Number of equi-width polar angle bins for angle discretization
-    num_azimuthal : Integral
-        Number of equi-width azimuthal angle bins for angle discretization
-    tally_trigger : openmc.Trigger
-        An (optional) tally precision trigger given to each tally used to
-        compute the cross section
-    scores : list of str
-        The scores in each tally used to compute the multi-group cross section
-    filters : list of openmc.Filter
-        The filters in each tally used to compute the multi-group cross section
-    tally_keys : list of str
-        The keys into the tallies dictionary for each tally used to compute
-        the multi-group cross section
-    estimator : 'analog'
-        The tally estimator used to compute the multi-group cross section
-    tallies : collections.OrderedDict
-        OpenMC tallies needed to compute the multi-group cross section. The keys
-        are strings listed in the :attr:`MultiplicityMatrixXS.tally_keys`
-        property and values are instances of :class:`openmc.Tally`.
-    rxn_rate_tally : openmc.Tally
-        Derived tally for the reaction rate tally used in the numerator to
-        compute the multi-group cross section. This attribute is None
-        unless the multi-group cross section has been computed.
-    xs_tally : openmc.Tally
-        Derived tally for the multi-group cross section. This attribute
-        is None unless the multi-group cross section has been computed.
-    num_subdomains : int
-        The number of subdomains is unity for 'material', 'cell' and 'universe'
-        domain types. This is equal to the number of cell instances
-        for 'distribcell' domain types (it is equal to unity prior to loading
-        tally data from a statepoint file).
-    num_nuclides : int
-        The number of nuclides for which the multi-group cross section is
-        being tracked. This is unity if the by_nuclide attribute is False.
-    nuclides : Iterable of str or 'sum'
-        The optional user-specified nuclides for which to compute cross
-        sections (e.g., 'U238', 'O16'). If by_nuclide is True but nuclides
-        are not specified by the user, all nuclides in the spatial domain
-        are included. This attribute is 'sum' if by_nuclide is false.
-    sparse : bool
-        Whether or not the MGXS' tallies use SciPy's LIL sparse matrix format
-        for compressed data storage
-    loaded_sp : bool
-        Whether or not a statepoint file has been loaded with tally data
-    derived : bool
-        Whether or not the MGXS is merged from one or more other MGXS
-    mgxs_type : str
-        The name of this MGXS type, to be used when printing and
-        indexing in an HDF5 data store
-
-        .. versionadded:: 0.13.1
-
     """
 
     # Store whether or not the number density should be removed for microscopic
@@ -5487,9 +4802,9 @@ class MultiplicityMatrixXS(MatrixMGXS):
     # for microscopic data
     _divide_by_density = False
 
-    def __init__(self, domain=None, domain_type=None, groups=None,
+    def __init__(self, domain=None, domain_type=None, energy_groups=None,
                  by_nuclide=False, name='', num_polar=1, num_azimuthal=1):
-        super().__init__(domain, domain_type, groups, by_nuclide, name,
+        super().__init__(domain, domain_type, energy_groups, by_nuclide, name,
                          num_polar, num_azimuthal)
         self._rxn_type = 'multiplicity matrix'
         self._estimator = 'analog'
@@ -5530,6 +4845,7 @@ class MultiplicityMatrixXS(MatrixMGXS):
         return self._xs_tally
 
 
+@add_params
 class ScatterProbabilityMatrix(MatrixMGXS):
     r"""The group-to-group scattering probability matrix.
 
@@ -5568,93 +4884,6 @@ class ScatterProbabilityMatrix(MatrixMGXS):
        \sigma_{s,g'} \phi \rangle}
        \end{aligned}
 
-    Parameters
-    ----------
-    domain : openmc.Material or openmc.Cell or openmc.Universe or openmc.RegularMesh
-        The domain for spatial homogenization
-    domain_type : {'material', 'cell', 'distribcell', 'universe', 'mesh'}
-        The domain type for spatial homogenization
-    groups : openmc.mgxs.EnergyGroups
-        The energy group structure for energy condensation
-    by_nuclide : bool
-        If true, computes cross sections for each nuclide in domain
-    name : str, optional
-        Name of the multi-group cross section. Used as a label to identify
-        tallies in OpenMC 'tallies.xml' file.
-    num_polar : Integral, optional
-        Number of equi-width polar angle bins for angle discretization;
-        defaults to one bin
-    num_azimuthal : Integral, optional
-        Number of equi-width azimuthal angle bins for angle discretization;
-        defaults to one bin
-
-    Attributes
-    ----------
-    name : str, optional
-        Name of the multi-group cross section
-    rxn_type : str
-        Reaction type (e.g., 'total', 'nu-fission', etc.)
-    by_nuclide : bool
-        If true, computes cross sections for each nuclide in domain
-    domain : openmc.Material or openmc.Cell or openmc.Universe or openmc.RegularMesh
-        Domain for spatial homogenization
-    domain_type : {'material', 'cell', 'distribcell', 'universe', 'mesh'}
-        Domain type for spatial homogenization
-    energy_groups : openmc.mgxs.EnergyGroups
-        Energy group structure for energy condensation
-    num_polar : Integral
-        Number of equi-width polar angle bins for angle discretization
-    num_azimuthal : Integral
-        Number of equi-width azimuthal angle bins for angle discretization
-    tally_trigger : openmc.Trigger
-        An (optional) tally precision trigger given to each tally used to
-        compute the cross section
-    scores : list of str
-        The scores in each tally used to compute the multi-group cross section
-    filters : list of openmc.Filter
-        The filters in each tally used to compute the multi-group cross section
-    tally_keys : list of str
-        The keys into the tallies dictionary for each tally used to compute
-        the multi-group cross section
-    estimator : 'analog'
-        The tally estimator used to compute the multi-group cross section
-    tallies : collections.OrderedDict
-        OpenMC tallies needed to compute the multi-group cross section. The keys
-        are strings listed in the :attr:`ScatterProbabilityMatrix.tally_keys`
-        property and values are instances of :class:`openmc.Tally`.
-    rxn_rate_tally : openmc.Tally
-        Derived tally for the reaction rate tally used in the numerator to
-        compute the multi-group cross section. This attribute is None
-        unless the multi-group cross section has been computed.
-    xs_tally : openmc.Tally
-        Derived tally for the multi-group cross section. This attribute
-        is None unless the multi-group cross section has been computed.
-    num_subdomains : int
-        The number of subdomains is unity for 'material', 'cell' and 'universe'
-        domain types. This is equal to the number of cell instances
-        for 'distribcell' domain types (it is equal to unity prior to loading
-        tally data from a statepoint file).
-    num_nuclides : int
-        The number of nuclides for which the multi-group cross section is
-        being tracked. This is unity if the by_nuclide attribute is False.
-    nuclides : Iterable of str or 'sum'
-        The optional user-specified nuclides for which to compute cross
-        sections (e.g., 'U238', 'O16'). If by_nuclide is True but nuclides
-        are not specified by the user, all nuclides in the spatial domain
-        are included. This attribute is 'sum' if by_nuclide is false.
-    sparse : bool
-        Whether or not the MGXS' tallies use SciPy's LIL sparse matrix format
-        for compressed data storage
-    loaded_sp : bool
-        Whether or not a statepoint file has been loaded with tally data
-    derived : bool
-        Whether or not the MGXS is merged from one or more other MGXS
-    mgxs_type : str
-        The name of this MGXS type, to be used when printing and
-        indexing in an HDF5 data store
-
-        .. versionadded:: 0.13.1
-
     """
 
     # Store whether or not the number density should be removed for microscopic
@@ -5662,9 +4891,9 @@ class ScatterProbabilityMatrix(MatrixMGXS):
     # to 1.0, this density division is not necessary
     _divide_by_density = False
 
-    def __init__(self, domain=None, domain_type=None, groups=None,
+    def __init__(self, domain=None, domain_type=None, energy_groups=None,
                  by_nuclide=False, name='', num_polar=1, num_azimuthal=1):
-        super().__init__(domain, domain_type, groups, by_nuclide,
+        super().__init__(domain, domain_type, energy_groups, by_nuclide,
                          name, num_polar, num_azimuthal)
         self._rxn_type = 'scatter'
         self._mgxs_type = 'scatter probability matrix'
@@ -5833,10 +5062,10 @@ class NuFissionMatrixXS(MatrixMGXS):
 
     """
 
-    def __init__(self, domain=None, domain_type=None, groups=None,
+    def __init__(self, domain=None, domain_type=None, energy_groups=None,
                  by_nuclide=False, name='', num_polar=1,
                  num_azimuthal=1, prompt=False):
-        super().__init__(domain, domain_type, groups, by_nuclide, name,
+        super().__init__(domain, domain_type, energy_groups, by_nuclide, name,
                          num_polar, num_azimuthal)
         if not prompt:
             self._rxn_type = 'nu-fission'
@@ -5999,10 +5228,10 @@ class Chi(MGXS):
     # data should not be divided by the number density
     _divide_by_density = False
 
-    def __init__(self, domain=None, domain_type=None, groups=None,
+    def __init__(self, domain=None, domain_type=None, energy_groups=None,
                  prompt=False, by_nuclide=False, name='', num_polar=1,
                  num_azimuthal=1):
-        super().__init__(domain, domain_type, groups, by_nuclide, name,
+        super().__init__(domain, domain_type, energy_groups, by_nuclide, name,
                          num_polar, num_azimuthal)
         self._estimator = 'analog'
         self._valid_estimators = ['analog']
@@ -6401,6 +5630,7 @@ class Chi(MGXS):
         return '%'
 
 
+@add_params
 class InverseVelocity(MGXS):
     r"""An inverse velocity multi-group cross section.
 
@@ -6430,94 +5660,6 @@ class InverseVelocity(MGXS):
        \frac{\psi (r, E, \Omega)}{v (r, E)}}{\int_{r \in V} dr \int_{4\pi}
        d\Omega \int_{E_g}^{E_{g-1}} dE \; \psi (r, E, \Omega)}
 
-    Parameters
-    ----------
-    domain : openmc.Material or openmc.Cell or openmc.Universe or openmc.RegularMesh
-        The domain for spatial homogenization
-    domain_type : {'material', 'cell', 'distribcell', 'universe', 'mesh'}
-        The domain type for spatial homogenization
-    groups : openmc.mgxs.EnergyGroups
-        The energy group structure for energy condensation
-    by_nuclide : bool
-        If true, computes cross sections for each nuclide in domain
-    name : str, optional
-        Name of the multi-group cross section. Used as a label to identify
-        tallies in OpenMC 'tallies.xml' file.
-    num_polar : Integral, optional
-        Number of equi-width polar angle bins for angle discretization;
-        defaults to one bin
-    num_azimuthal : Integral, optional
-        Number of equi-width azimuthal angle bins for angle discretization;
-        defaults to one bin
-
-    Attributes
-    ----------
-    name : str, optional
-        Name of the multi-group cross section
-    rxn_type : str
-        Reaction type (e.g., 'total', 'nu-fission', etc.)
-    by_nuclide : bool
-        If true, computes cross sections for each nuclide in domain
-    domain : openmc.Material or openmc.Cell or openmc.Universe or openmc.RegularMesh
-        Domain for spatial homogenization
-    domain_type : {'material', 'cell', 'distribcell', 'universe', 'mesh'}
-        Domain type for spatial homogenization
-    energy_groups : openmc.mgxs.EnergyGroups
-        Energy group structure for energy condensation
-    num_polar : Integral
-        Number of equi-width polar angle bins for angle discretization
-    num_azimuthal : Integral
-        Number of equi-width azimuthal angle bins for angle discretization
-    tally_trigger : openmc.Trigger
-        An (optional) tally precision trigger given to each tally used to
-        compute the cross section
-    scores : list of str
-        The scores in each tally used to compute the multi-group cross section
-    filters : list of openmc.Filter
-        The filters in each tally used to compute the multi-group cross section
-    tally_keys : list of str
-        The keys into the tallies dictionary for each tally used to compute
-        the multi-group cross section
-    estimator : {'tracklength', 'collision', 'analog'}
-        The tally estimator used to compute the multi-group cross section
-    tallies : collections.OrderedDict
-        OpenMC tallies needed to compute the multi-group cross section. The keys
-        are strings listed in the :attr:`InverseVelocity.tally_keys` property
-        and values are instances of :class:`openmc.Tally`.
-    rxn_rate_tally : openmc.Tally
-        Derived tally for the reaction rate tally used in the numerator to
-        compute the multi-group cross section. This attribute is None
-        unless the multi-group cross section has been computed.
-    xs_tally : openmc.Tally
-        Derived tally for the multi-group cross section. This attribute
-        is None unless the multi-group cross section has been computed.
-    num_subdomains : int
-        The number of subdomains is unity for 'material', 'cell' and 'universe'
-        domain types. This is equal to the number of cell instances
-        for 'distribcell' domain types (it is equal to unity prior to loading
-        tally data from a statepoint file) and the number of mesh cells for
-        'mesh' domain types.
-    num_nuclides : int
-        The number of nuclides for which the multi-group cross section is
-        being tracked. This is unity if the by_nuclide attribute is False.
-    nuclides : Iterable of str or 'sum'
-        The optional user-specified nuclides for which to compute cross
-        sections (e.g., 'U238', 'O16'). If by_nuclide is True but nuclides
-        are not specified by the user, all nuclides in the spatial domain
-        are included. This attribute is 'sum' if by_nuclide is false.
-    sparse : bool
-        Whether or not the MGXS' tallies use SciPy's LIL sparse matrix format
-        for compressed data storage
-    loaded_sp : bool
-        Whether or not a statepoint file has been loaded with tally data
-    derived : bool
-        Whether or not the MGXS is merged from one or more other MGXS
-    mgxs_type : str
-        The name of this MGXS type, to be used when printing and
-        indexing in an HDF5 data store
-
-        .. versionadded:: 0.13.1
-
     """
 
     # Store whether or not the number density should be removed for microscopic
@@ -6526,9 +5668,9 @@ class InverseVelocity(MGXS):
     # values
     _divide_by_density = False
 
-    def __init__(self, domain=None, domain_type=None, groups=None,
+    def __init__(self, domain=None, domain_type=None, energy_groups=None,
                  by_nuclide=False, name='', num_polar=1, num_azimuthal=1):
-        super().__init__(domain, domain_type, groups, by_nuclide, name,
+        super().__init__(domain, domain_type, energy_groups, by_nuclide, name,
                          num_polar, num_azimuthal)
         self._rxn_type = 'inverse-velocity'
 
@@ -7031,7 +6173,7 @@ class Current(MeshSurfaceMGXS):
     """
 
     def __init__(self, domain=None, domain_type=None,
-                 groups=None, by_nuclide=False, name=''):
+                 energy_groups=None, by_nuclide=False, name=''):
         super(Current, self).__init__(domain, domain_type,
-                                      groups, by_nuclide, name)
+                                      energy_groups, by_nuclide, name)
         self._rxn_type = 'current'

From 54ac2042fbdb1b741447d138b6045a7420149763 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 21 Jul 2022 07:07:25 -0500
Subject: [PATCH 0737/2654] Add ReducedAbsorptionXS class for MGXS (absorption
 - n2n - 2*n3n - 3*n4n)

---
 docs/source/pythonapi/mgxs.rst                |    1 +
 openmc/mgxs/mgxs.py                           |   61 +
 .../mgxs_library_condense/inputs_true.dat     |  358 ++--
 .../mgxs_library_condense/results_true.dat    |    6 +
 .../mgxs_library_distribcell/inputs_true.dat  |  316 ++--
 .../mgxs_library_distribcell/results_true.dat |    2 +
 .../mgxs_library_hdf5/inputs_true.dat         |  358 ++--
 .../mgxs_library_hdf5/results_true.dat        |    3 +
 .../mgxs_library_mesh/inputs_true.dat         |  316 ++--
 .../mgxs_library_mesh/results_true.dat        |    6 +
 .../mgxs_library_no_nuclides/inputs_true.dat  | 1632 +++++++++--------
 .../mgxs_library_no_nuclides/results_true.dat |   12 +
 .../mgxs_library_nuclides/inputs_true.dat     | 1476 ++++++++-------
 .../mgxs_library_nuclides/results_true.dat    |    2 +-
 14 files changed, 2470 insertions(+), 2079 deletions(-)

diff --git a/docs/source/pythonapi/mgxs.rst b/docs/source/pythonapi/mgxs.rst
index bf5a84599..392914b36 100644
--- a/docs/source/pythonapi/mgxs.rst
+++ b/docs/source/pythonapi/mgxs.rst
@@ -41,6 +41,7 @@ Multi-group Cross Sections
     openmc.mgxs.KappaFissionXS
     openmc.mgxs.MultiplicityMatrixXS
     openmc.mgxs.NuFissionMatrixXS
+    openmc.mgxs.ReducedAbsorptionXS
     openmc.mgxs.ScatterXS
     openmc.mgxs.ScatterMatrixXS
     openmc.mgxs.ScatterProbabilityMatrix
diff --git a/openmc/mgxs/mgxs.py b/openmc/mgxs/mgxs.py
index 387a98ea5..75a33eed7 100644
--- a/openmc/mgxs/mgxs.py
+++ b/openmc/mgxs/mgxs.py
@@ -20,6 +20,7 @@ MGXS_TYPES = (
     'transport',
     'nu-transport',
     'absorption',
+    'reduced absorption',
     'capture',
     'fission',
     'nu-fission',
@@ -772,6 +773,8 @@ class MGXS:
             mgxs = TransportXS(domain, domain_type, energy_groups, nu=True)
         elif mgxs_type == 'absorption':
             mgxs = AbsorptionXS(domain, domain_type, energy_groups)
+        elif mgxs_type == 'reduced absorption':
+            mgxs = ReducedAbsorptionXS(domain, domain_type, energy_groups)
         elif mgxs_type == 'capture':
             mgxs = CaptureXS(domain, domain_type, energy_groups)
         elif mgxs_type == 'fission':
@@ -824,6 +827,8 @@ class MGXS:
         elif mgxs_type in ARBITRARY_MATRIX_TYPES:
             mgxs = ArbitraryMatrixXS(mgxs_type, domain, domain_type,
                                      energy_groups)
+        else:
+            raise ValueError(f"Unknown MGXS type: {mgxs_type}")
 
         mgxs.by_nuclide = by_nuclide
         mgxs.name = name
@@ -3071,6 +3076,62 @@ class AbsorptionXS(MGXS):
         self._rxn_type = 'absorption'
 
 
+@add_params
+class ReducedAbsorptionXS(MGXS):
+    r"""A reduced absorpiton multi-group cross section.
+
+    The reduced absorption reaction rate is defined as the difference between
+    absorption and the produced of neutrons due to (n,xn) reactions.
+
+    This class can be used for both OpenMC input generation and tally data
+    post-processing to compute spatially-homogenized and energy-integrated
+    multi-group capture cross sections for multi-group neutronics calculations.
+    At a minimum, one needs to set the :attr:`CaptureXS.energy_groups` and
+    :attr:`CaptureXS.domain` properties. Tallies for the flux and appropriate
+    reaction rates over the specified domain are generated automatically via the
+    :attr:`CaptureXS.tallies` property, which can then be appended to a
+    :class:`openmc.Tallies` instance.
+
+    For post-processing, the :meth:`MGXS.load_from_statepoint` will pull in the
+    necessary data to compute multi-group cross sections from a
+    :class:`openmc.StatePoint` instance. The derived multi-group cross section
+    can then be obtained from the :attr:`CaptureXS.xs_tally` property.
+
+    For a spatial domain :math:`V` and energy group :math:`[E_g,E_{g-1}]`, the
+    reduced absorption cross section is calculated as:
+
+    .. math::
+
+       \frac{\int_{r \in V} dr \int_{4\pi} d\Omega \int_{E_g}^{E_{g-1}} dE \;
+       \left(\sigma_a (r, E) - \sigma_{n,2n}(r,E) - 2\sigma_{n,3n}(r,E) -
+       3\sigma_{n,4n}(r,E) \right) \psi (r, E, \Omega)}{\int_{r \in V} dr
+       \int_{4\pi} d\Omega \int_{E_g}^{E_{g-1}} dE \; \psi (r, E, \Omega)}.
+
+    """
+
+    def __init__(self, domain=None, domain_type=None, energy_groups=None,
+                 by_nuclide=False, name='', num_polar=1, num_azimuthal=1):
+        super().__init__(domain, domain_type, energy_groups, by_nuclide, name,
+                         num_polar, num_azimuthal)
+        self._rxn_type = 'reduced absorption'
+
+    @property
+    def scores(self):
+        return ['flux', 'absorption', '(n,2n)', '(n,3n)', '(n,4n)']
+
+    @property
+    def rxn_rate_tally(self):
+        if self._rxn_rate_tally is None:
+            self._rxn_rate_tally = (
+                self.tallies['absorption']
+                - self.tallies['(n,2n)']
+                - 2*self.tallies['(n,3n)']
+                - 3*self.tallies['(n,4n)']
+            )
+            self._rxn_rate_tally.sparse = self.sparse
+        return self._rxn_rate_tally
+
+
 @add_params
 class CaptureXS(MGXS):
     r"""A capture multi-group cross section.
diff --git a/tests/regression_tests/mgxs_library_condense/inputs_true.dat b/tests/regression_tests/mgxs_library_condense/inputs_true.dat
index 9661cd46b..cac18ffcd 100644
--- a/tests/regression_tests/mgxs_library_condense/inputs_true.dat
+++ b/tests/regression_tests/mgxs_library_condense/inputs_true.dat
@@ -67,16 +67,16 @@
   <filter id="6" type="legendre">
     <order>1</order>
   </filter>
-  <filter id="28" type="legendre">
+  <filter id="30" type="legendre">
     <order>3</order>
   </filter>
-  <filter id="52" type="energy">
+  <filter id="54" type="energy">
     <bins>0.0 20000000.0</bins>
   </filter>
-  <filter id="66" type="meshsurface">
+  <filter id="68" type="meshsurface">
     <bins>1</bins>
   </filter>
-  <filter id="77" type="delayedgroup">
+  <filter id="79" type="delayedgroup">
     <bins>1 2 3 4 5 6</bins>
   </filter>
   <tally id="1">
@@ -166,19 +166,19 @@
   <tally id="15">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>fission</scores>
+    <scores>(n,2n)</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="16">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>flux</scores>
+    <scores>(n,3n)</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="17">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>fission</scores>
+    <scores>(n,4n)</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="18">
@@ -190,207 +190,207 @@
   <tally id="19">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>nu-fission</scores>
+    <scores>absorption</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="20">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>flux</scores>
+    <scores>fission</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="21">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>kappa-fission</scores>
+    <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="22">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>flux</scores>
+    <scores>fission</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="23">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>scatter</scores>
+    <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="24">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
+    <scores>nu-fission</scores>
+    <estimator>tracklength</estimator>
   </tally>
   <tally id="25">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
   </tally>
   <tally id="26">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
+    <scores>kappa-fission</scores>
+    <estimator>tracklength</estimator>
   </tally>
   <tally id="27">
-    <filters>1 2 5 28</filters>
+    <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
   </tally>
   <tally id="28">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>scatter</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="29">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="29">
-    <filters>1 2 5 28</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
   <tally id="30">
-    <filters>1 2 5</filters>
+    <filters>1 2</filters>
     <nuclides>total</nuclides>
     <scores>nu-scatter</scores>
     <estimator>analog</estimator>
   </tally>
   <tally id="31">
-    <filters>1 2 5</filters>
+    <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>scatter</scores>
+    <scores>flux</scores>
     <estimator>analog</estimator>
   </tally>
   <tally id="32">
-    <filters>1 2</filters>
+    <filters>1 2 5 30</filters>
     <nuclides>total</nuclides>
-    <scores>flux</scores>
+    <scores>scatter</scores>
     <estimator>analog</estimator>
   </tally>
   <tally id="33">
-    <filters>1 2 5</filters>
+    <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>nu-fission</scores>
+    <scores>flux</scores>
     <estimator>analog</estimator>
   </tally>
   <tally id="34">
-    <filters>1 2 5</filters>
+    <filters>1 2 5 30</filters>
     <nuclides>total</nuclides>
-    <scores>scatter</scores>
+    <scores>nu-scatter</scores>
     <estimator>analog</estimator>
   </tally>
   <tally id="35">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="36">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="37">
-    <filters>1 2 5 28</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="38">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="39">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="40">
-    <filters>1 2 5 28</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="41">
     <filters>1 2 5</filters>
     <nuclides>total</nuclides>
     <scores>nu-scatter</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="42">
-    <filters>1 52</filters>
+  <tally id="36">
+    <filters>1 2 5</filters>
+    <nuclides>total</nuclides>
+    <scores>scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="37">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="38">
+    <filters>1 2 5</filters>
     <nuclides>total</nuclides>
     <scores>nu-fission</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="43">
-    <filters>1 5</filters>
+  <tally id="39">
+    <filters>1 2 5</filters>
     <nuclides>total</nuclides>
-    <scores>nu-fission</scores>
+    <scores>scatter</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="44">
-    <filters>1 52</filters>
-    <nuclides>total</nuclides>
-    <scores>prompt-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="45">
-    <filters>1 5</filters>
-    <nuclides>total</nuclides>
-    <scores>prompt-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="46">
+  <tally id="40">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
+  <tally id="41">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>scatter</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="42">
+    <filters>1 2 5 30</filters>
+    <nuclides>total</nuclides>
+    <scores>scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="43">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="44">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>scatter</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="45">
+    <filters>1 2 5 30</filters>
+    <nuclides>total</nuclides>
+    <scores>scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="46">
+    <filters>1 2 5</filters>
+    <nuclides>total</nuclides>
+    <scores>nu-scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
   <tally id="47">
+    <filters>1 54</filters>
+    <nuclides>total</nuclides>
+    <scores>nu-fission</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="48">
+    <filters>1 5</filters>
+    <nuclides>total</nuclides>
+    <scores>nu-fission</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="49">
+    <filters>1 54</filters>
+    <nuclides>total</nuclides>
+    <scores>prompt-nu-fission</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="50">
+    <filters>1 5</filters>
+    <nuclides>total</nuclides>
+    <scores>prompt-nu-fission</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="51">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="52">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
     <scores>inverse-velocity</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="48">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="49">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>prompt-nu-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="50">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="51">
-    <filters>1 2 5</filters>
-    <nuclides>total</nuclides>
-    <scores>prompt-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="52">
-    <filters>66 2</filters>
-    <nuclides>total</nuclides>
-    <scores>current</scores>
-    <estimator>analog</estimator>
-  </tally>
   <tally id="53">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
@@ -400,7 +400,7 @@
   <tally id="54">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>total</scores>
+    <scores>prompt-nu-fission</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="55">
@@ -410,91 +410,121 @@
     <estimator>analog</estimator>
   </tally>
   <tally id="56">
-    <filters>1 5 6</filters>
+    <filters>1 2 5</filters>
     <nuclides>total</nuclides>
-    <scores>scatter</scores>
+    <scores>prompt-nu-fission</scores>
     <estimator>analog</estimator>
   </tally>
   <tally id="57">
-    <filters>1 2</filters>
+    <filters>68 2</filters>
     <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
+    <scores>current</scores>
+    <estimator>analog</estimator>
   </tally>
   <tally id="58">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>total</scores>
+    <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="59">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>total</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="60">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="60">
+  <tally id="61">
+    <filters>1 5 6</filters>
+    <nuclides>total</nuclides>
+    <scores>scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="62">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="63">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>total</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="64">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="65">
     <filters>1 5 6</filters>
     <nuclides>total</nuclides>
     <scores>nu-scatter</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="61">
+  <tally id="66">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="62">
-    <filters>1 77 2</filters>
-    <nuclides>total</nuclides>
-    <scores>delayed-nu-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="63">
-    <filters>1 77 52</filters>
-    <nuclides>total</nuclides>
-    <scores>delayed-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="64">
-    <filters>1 77 5</filters>
-    <nuclides>total</nuclides>
-    <scores>delayed-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="65">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="66">
-    <filters>1 77 2</filters>
-    <nuclides>total</nuclides>
-    <scores>delayed-nu-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
   <tally id="67">
-    <filters>1 77</filters>
+    <filters>1 79 2</filters>
     <nuclides>total</nuclides>
     <scores>delayed-nu-fission</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="68">
-    <filters>1 77</filters>
+    <filters>1 79 54</filters>
+    <nuclides>total</nuclides>
+    <scores>delayed-nu-fission</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="69">
+    <filters>1 79 5</filters>
+    <nuclides>total</nuclides>
+    <scores>delayed-nu-fission</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="70">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>nu-fission</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="71">
+    <filters>1 79 2</filters>
+    <nuclides>total</nuclides>
+    <scores>delayed-nu-fission</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="72">
+    <filters>1 79</filters>
+    <nuclides>total</nuclides>
+    <scores>delayed-nu-fission</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="73">
+    <filters>1 79</filters>
     <nuclides>total</nuclides>
     <scores>decay-rate</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="69">
+  <tally id="74">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="70">
-    <filters>1 77 2 5</filters>
+  <tally id="75">
+    <filters>1 79 2 5</filters>
     <nuclides>total</nuclides>
     <scores>delayed-nu-fission</scores>
     <estimator>analog</estimator>
diff --git a/tests/regression_tests/mgxs_library_condense/results_true.dat b/tests/regression_tests/mgxs_library_condense/results_true.dat
index 508984e54..e0b47a78b 100644
--- a/tests/regression_tests/mgxs_library_condense/results_true.dat
+++ b/tests/regression_tests/mgxs_library_condense/results_true.dat
@@ -24,6 +24,12 @@
 3      2  2  1        1   total  0.022046  0.001594
   mesh 1       group in nuclide      mean std. dev.
        x  y  z                                     
+0      1  1  1        1   total  0.021489  0.001396
+2      1  2  1        1   total  0.020837  0.001436
+1      2  1  1        1   total  0.021454  0.001983
+3      2  2  1        1   total  0.022036  0.001594
+  mesh 1       group in nuclide      mean std. dev.
+       x  y  z                                     
 0      1  1  1        1   total  0.011598  0.001508
 2      1  2  1        1   total  0.010856  0.001613
 1      2  1  1        1   total  0.011622  0.002259
diff --git a/tests/regression_tests/mgxs_library_distribcell/inputs_true.dat b/tests/regression_tests/mgxs_library_distribcell/inputs_true.dat
index 602e04abe..bd6abbb7c 100644
--- a/tests/regression_tests/mgxs_library_distribcell/inputs_true.dat
+++ b/tests/regression_tests/mgxs_library_distribcell/inputs_true.dat
@@ -89,10 +89,10 @@
   <filter id="6" type="legendre">
     <order>1</order>
   </filter>
-  <filter id="28" type="legendre">
+  <filter id="30" type="legendre">
     <order>3</order>
   </filter>
-  <filter id="73" type="delayedgroup">
+  <filter id="75" type="delayedgroup">
     <bins>1 2 3 4 5 6</bins>
   </filter>
   <tally id="1">
@@ -182,19 +182,19 @@
   <tally id="15">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>fission</scores>
+    <scores>(n,2n)</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="16">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>flux</scores>
+    <scores>(n,3n)</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="17">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>fission</scores>
+    <scores>(n,4n)</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="18">
@@ -206,305 +206,335 @@
   <tally id="19">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>nu-fission</scores>
+    <scores>absorption</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="20">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>flux</scores>
+    <scores>fission</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="21">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>kappa-fission</scores>
+    <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="22">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>flux</scores>
+    <scores>fission</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="23">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>scatter</scores>
+    <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="24">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
+    <scores>nu-fission</scores>
+    <estimator>tracklength</estimator>
   </tally>
   <tally id="25">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
   </tally>
   <tally id="26">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
+    <scores>kappa-fission</scores>
+    <estimator>tracklength</estimator>
   </tally>
   <tally id="27">
-    <filters>1 2 5 28</filters>
+    <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
   </tally>
   <tally id="28">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>scatter</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="29">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="29">
-    <filters>1 2 5 28</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
   <tally id="30">
-    <filters>1 2 5</filters>
+    <filters>1 2</filters>
     <nuclides>total</nuclides>
     <scores>nu-scatter</scores>
     <estimator>analog</estimator>
   </tally>
   <tally id="31">
-    <filters>1 2 5</filters>
+    <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>scatter</scores>
+    <scores>flux</scores>
     <estimator>analog</estimator>
   </tally>
   <tally id="32">
-    <filters>1 2</filters>
+    <filters>1 2 5 30</filters>
     <nuclides>total</nuclides>
-    <scores>flux</scores>
+    <scores>scatter</scores>
     <estimator>analog</estimator>
   </tally>
   <tally id="33">
-    <filters>1 2 5</filters>
+    <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>nu-fission</scores>
+    <scores>flux</scores>
     <estimator>analog</estimator>
   </tally>
   <tally id="34">
-    <filters>1 2 5</filters>
+    <filters>1 2 5 30</filters>
     <nuclides>total</nuclides>
-    <scores>scatter</scores>
+    <scores>nu-scatter</scores>
     <estimator>analog</estimator>
   </tally>
   <tally id="35">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="36">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="37">
-    <filters>1 2 5 28</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="38">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="39">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="40">
-    <filters>1 2 5 28</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="41">
     <filters>1 2 5</filters>
     <nuclides>total</nuclides>
     <scores>nu-scatter</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="42">
+  <tally id="36">
+    <filters>1 2 5</filters>
+    <nuclides>total</nuclides>
+    <scores>scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="37">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="38">
+    <filters>1 2 5</filters>
+    <nuclides>total</nuclides>
     <scores>nu-fission</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="43">
-    <filters>1 5</filters>
+  <tally id="39">
+    <filters>1 2 5</filters>
     <nuclides>total</nuclides>
-    <scores>nu-fission</scores>
+    <scores>scatter</scores>
     <estimator>analog</estimator>
   </tally>
+  <tally id="40">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="41">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>scatter</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="42">
+    <filters>1 2 5 30</filters>
+    <nuclides>total</nuclides>
+    <scores>scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="43">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
   <tally id="44">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>prompt-nu-fission</scores>
-    <estimator>analog</estimator>
+    <scores>scatter</scores>
+    <estimator>tracklength</estimator>
   </tally>
   <tally id="45">
-    <filters>1 5</filters>
+    <filters>1 2 5 30</filters>
     <nuclides>total</nuclides>
-    <scores>prompt-nu-fission</scores>
+    <scores>scatter</scores>
     <estimator>analog</estimator>
   </tally>
   <tally id="46">
-    <filters>1 2</filters>
+    <filters>1 2 5</filters>
     <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
+    <scores>nu-scatter</scores>
+    <estimator>analog</estimator>
   </tally>
   <tally id="47">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>inverse-velocity</scores>
-    <estimator>tracklength</estimator>
+    <scores>nu-fission</scores>
+    <estimator>analog</estimator>
   </tally>
   <tally id="48">
-    <filters>1 2</filters>
+    <filters>1 5</filters>
     <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
+    <scores>nu-fission</scores>
+    <estimator>analog</estimator>
   </tally>
   <tally id="49">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
     <scores>prompt-nu-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="50">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="51">
-    <filters>1 2 5</filters>
+  <tally id="50">
+    <filters>1 5</filters>
     <nuclides>total</nuclides>
     <scores>prompt-nu-fission</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="52">
+  <tally id="51">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
+  <tally id="52">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>inverse-velocity</scores>
+    <estimator>tracklength</estimator>
+  </tally>
   <tally id="53">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>total</scores>
+    <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="54">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
+    <scores>prompt-nu-fission</scores>
+    <estimator>tracklength</estimator>
   </tally>
   <tally id="55">
-    <filters>1 5 6</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="56">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
-    <estimator>tracklength</estimator>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="56">
+    <filters>1 2 5</filters>
+    <nuclides>total</nuclides>
+    <scores>prompt-nu-fission</scores>
+    <estimator>analog</estimator>
   </tally>
   <tally id="57">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>total</scores>
+    <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="58">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>total</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="59">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="59">
+  <tally id="60">
+    <filters>1 5 6</filters>
+    <nuclides>total</nuclides>
+    <scores>scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="61">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="62">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>total</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="63">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="64">
     <filters>1 5 6</filters>
     <nuclides>total</nuclides>
     <scores>nu-scatter</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="60">
+  <tally id="65">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="61">
-    <filters>1 73 2</filters>
-    <nuclides>total</nuclides>
-    <scores>delayed-nu-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="62">
-    <filters>1 73 2</filters>
-    <nuclides>total</nuclides>
-    <scores>delayed-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="63">
-    <filters>1 73 5</filters>
-    <nuclides>total</nuclides>
-    <scores>delayed-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="64">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="65">
-    <filters>1 73 2</filters>
-    <nuclides>total</nuclides>
-    <scores>delayed-nu-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
   <tally id="66">
-    <filters>1 73</filters>
+    <filters>1 75 2</filters>
     <nuclides>total</nuclides>
     <scores>delayed-nu-fission</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="67">
-    <filters>1 73</filters>
+    <filters>1 75 2</filters>
+    <nuclides>total</nuclides>
+    <scores>delayed-nu-fission</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="68">
+    <filters>1 75 5</filters>
+    <nuclides>total</nuclides>
+    <scores>delayed-nu-fission</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="69">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>nu-fission</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="70">
+    <filters>1 75 2</filters>
+    <nuclides>total</nuclides>
+    <scores>delayed-nu-fission</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="71">
+    <filters>1 75</filters>
+    <nuclides>total</nuclides>
+    <scores>delayed-nu-fission</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="72">
+    <filters>1 75</filters>
     <nuclides>total</nuclides>
     <scores>decay-rate</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="68">
+  <tally id="73">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="69">
-    <filters>1 73 2 5</filters>
+  <tally id="74">
+    <filters>1 75 2 5</filters>
     <nuclides>total</nuclides>
     <scores>delayed-nu-fission</scores>
     <estimator>analog</estimator>
diff --git a/tests/regression_tests/mgxs_library_distribcell/results_true.dat b/tests/regression_tests/mgxs_library_distribcell/results_true.dat
index e6e4b99e4..3d362c1bd 100644
--- a/tests/regression_tests/mgxs_library_distribcell/results_true.dat
+++ b/tests/regression_tests/mgxs_library_distribcell/results_true.dat
@@ -7,6 +7,8 @@
                                                                                                                                                                                                                                                                                                                                                                                                  sum(distribcell)  group in nuclide     mean  std. dev.
 0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1   total  0.06484   0.002514
                                                                                                                                                                                                                                                                                                                                                                                                  sum(distribcell)  group in nuclide      mean  std. dev.
+0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1   total  0.064761   0.002514
+                                                                                                                                                                                                                                                                                                                                                                                                 sum(distribcell)  group in nuclide      mean  std. dev.
 0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1   total  0.028638   0.002713
                                                                                                                                                                                                                                                                                                                                                                                                  sum(distribcell)  group in nuclide      mean  std. dev.
 0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1   total  0.036203   0.001449
diff --git a/tests/regression_tests/mgxs_library_hdf5/inputs_true.dat b/tests/regression_tests/mgxs_library_hdf5/inputs_true.dat
index 9661cd46b..cac18ffcd 100644
--- a/tests/regression_tests/mgxs_library_hdf5/inputs_true.dat
+++ b/tests/regression_tests/mgxs_library_hdf5/inputs_true.dat
@@ -67,16 +67,16 @@
   <filter id="6" type="legendre">
     <order>1</order>
   </filter>
-  <filter id="28" type="legendre">
+  <filter id="30" type="legendre">
     <order>3</order>
   </filter>
-  <filter id="52" type="energy">
+  <filter id="54" type="energy">
     <bins>0.0 20000000.0</bins>
   </filter>
-  <filter id="66" type="meshsurface">
+  <filter id="68" type="meshsurface">
     <bins>1</bins>
   </filter>
-  <filter id="77" type="delayedgroup">
+  <filter id="79" type="delayedgroup">
     <bins>1 2 3 4 5 6</bins>
   </filter>
   <tally id="1">
@@ -166,19 +166,19 @@
   <tally id="15">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>fission</scores>
+    <scores>(n,2n)</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="16">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>flux</scores>
+    <scores>(n,3n)</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="17">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>fission</scores>
+    <scores>(n,4n)</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="18">
@@ -190,207 +190,207 @@
   <tally id="19">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>nu-fission</scores>
+    <scores>absorption</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="20">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>flux</scores>
+    <scores>fission</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="21">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>kappa-fission</scores>
+    <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="22">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>flux</scores>
+    <scores>fission</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="23">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>scatter</scores>
+    <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="24">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
+    <scores>nu-fission</scores>
+    <estimator>tracklength</estimator>
   </tally>
   <tally id="25">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
   </tally>
   <tally id="26">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
+    <scores>kappa-fission</scores>
+    <estimator>tracklength</estimator>
   </tally>
   <tally id="27">
-    <filters>1 2 5 28</filters>
+    <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
   </tally>
   <tally id="28">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>scatter</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="29">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="29">
-    <filters>1 2 5 28</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
   <tally id="30">
-    <filters>1 2 5</filters>
+    <filters>1 2</filters>
     <nuclides>total</nuclides>
     <scores>nu-scatter</scores>
     <estimator>analog</estimator>
   </tally>
   <tally id="31">
-    <filters>1 2 5</filters>
+    <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>scatter</scores>
+    <scores>flux</scores>
     <estimator>analog</estimator>
   </tally>
   <tally id="32">
-    <filters>1 2</filters>
+    <filters>1 2 5 30</filters>
     <nuclides>total</nuclides>
-    <scores>flux</scores>
+    <scores>scatter</scores>
     <estimator>analog</estimator>
   </tally>
   <tally id="33">
-    <filters>1 2 5</filters>
+    <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>nu-fission</scores>
+    <scores>flux</scores>
     <estimator>analog</estimator>
   </tally>
   <tally id="34">
-    <filters>1 2 5</filters>
+    <filters>1 2 5 30</filters>
     <nuclides>total</nuclides>
-    <scores>scatter</scores>
+    <scores>nu-scatter</scores>
     <estimator>analog</estimator>
   </tally>
   <tally id="35">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="36">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="37">
-    <filters>1 2 5 28</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="38">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="39">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="40">
-    <filters>1 2 5 28</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="41">
     <filters>1 2 5</filters>
     <nuclides>total</nuclides>
     <scores>nu-scatter</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="42">
-    <filters>1 52</filters>
+  <tally id="36">
+    <filters>1 2 5</filters>
+    <nuclides>total</nuclides>
+    <scores>scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="37">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="38">
+    <filters>1 2 5</filters>
     <nuclides>total</nuclides>
     <scores>nu-fission</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="43">
-    <filters>1 5</filters>
+  <tally id="39">
+    <filters>1 2 5</filters>
     <nuclides>total</nuclides>
-    <scores>nu-fission</scores>
+    <scores>scatter</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="44">
-    <filters>1 52</filters>
-    <nuclides>total</nuclides>
-    <scores>prompt-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="45">
-    <filters>1 5</filters>
-    <nuclides>total</nuclides>
-    <scores>prompt-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="46">
+  <tally id="40">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
+  <tally id="41">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>scatter</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="42">
+    <filters>1 2 5 30</filters>
+    <nuclides>total</nuclides>
+    <scores>scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="43">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="44">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>scatter</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="45">
+    <filters>1 2 5 30</filters>
+    <nuclides>total</nuclides>
+    <scores>scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="46">
+    <filters>1 2 5</filters>
+    <nuclides>total</nuclides>
+    <scores>nu-scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
   <tally id="47">
+    <filters>1 54</filters>
+    <nuclides>total</nuclides>
+    <scores>nu-fission</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="48">
+    <filters>1 5</filters>
+    <nuclides>total</nuclides>
+    <scores>nu-fission</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="49">
+    <filters>1 54</filters>
+    <nuclides>total</nuclides>
+    <scores>prompt-nu-fission</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="50">
+    <filters>1 5</filters>
+    <nuclides>total</nuclides>
+    <scores>prompt-nu-fission</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="51">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="52">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
     <scores>inverse-velocity</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="48">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="49">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>prompt-nu-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="50">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="51">
-    <filters>1 2 5</filters>
-    <nuclides>total</nuclides>
-    <scores>prompt-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="52">
-    <filters>66 2</filters>
-    <nuclides>total</nuclides>
-    <scores>current</scores>
-    <estimator>analog</estimator>
-  </tally>
   <tally id="53">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
@@ -400,7 +400,7 @@
   <tally id="54">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>total</scores>
+    <scores>prompt-nu-fission</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="55">
@@ -410,91 +410,121 @@
     <estimator>analog</estimator>
   </tally>
   <tally id="56">
-    <filters>1 5 6</filters>
+    <filters>1 2 5</filters>
     <nuclides>total</nuclides>
-    <scores>scatter</scores>
+    <scores>prompt-nu-fission</scores>
     <estimator>analog</estimator>
   </tally>
   <tally id="57">
-    <filters>1 2</filters>
+    <filters>68 2</filters>
     <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
+    <scores>current</scores>
+    <estimator>analog</estimator>
   </tally>
   <tally id="58">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>total</scores>
+    <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="59">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>total</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="60">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="60">
+  <tally id="61">
+    <filters>1 5 6</filters>
+    <nuclides>total</nuclides>
+    <scores>scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="62">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="63">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>total</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="64">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="65">
     <filters>1 5 6</filters>
     <nuclides>total</nuclides>
     <scores>nu-scatter</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="61">
+  <tally id="66">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="62">
-    <filters>1 77 2</filters>
-    <nuclides>total</nuclides>
-    <scores>delayed-nu-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="63">
-    <filters>1 77 52</filters>
-    <nuclides>total</nuclides>
-    <scores>delayed-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="64">
-    <filters>1 77 5</filters>
-    <nuclides>total</nuclides>
-    <scores>delayed-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="65">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="66">
-    <filters>1 77 2</filters>
-    <nuclides>total</nuclides>
-    <scores>delayed-nu-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
   <tally id="67">
-    <filters>1 77</filters>
+    <filters>1 79 2</filters>
     <nuclides>total</nuclides>
     <scores>delayed-nu-fission</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="68">
-    <filters>1 77</filters>
+    <filters>1 79 54</filters>
+    <nuclides>total</nuclides>
+    <scores>delayed-nu-fission</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="69">
+    <filters>1 79 5</filters>
+    <nuclides>total</nuclides>
+    <scores>delayed-nu-fission</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="70">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>nu-fission</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="71">
+    <filters>1 79 2</filters>
+    <nuclides>total</nuclides>
+    <scores>delayed-nu-fission</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="72">
+    <filters>1 79</filters>
+    <nuclides>total</nuclides>
+    <scores>delayed-nu-fission</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="73">
+    <filters>1 79</filters>
     <nuclides>total</nuclides>
     <scores>decay-rate</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="69">
+  <tally id="74">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="70">
-    <filters>1 77 2 5</filters>
+  <tally id="75">
+    <filters>1 79 2 5</filters>
     <nuclides>total</nuclides>
     <scores>delayed-nu-fission</scores>
     <estimator>analog</estimator>
diff --git a/tests/regression_tests/mgxs_library_hdf5/results_true.dat b/tests/regression_tests/mgxs_library_hdf5/results_true.dat
index 6da73ec9b..b075939f2 100644
--- a/tests/regression_tests/mgxs_library_hdf5/results_true.dat
+++ b/tests/regression_tests/mgxs_library_hdf5/results_true.dat
@@ -10,6 +10,9 @@ domain=1 type=nu-transport
 domain=1 type=absorption
 [9.18204614e-03 9.50890834e-02]
 [1.02291781e-03 9.51211716e-03]
+domain=1 type=reduced absorption
+[9.15806809e-03 9.50890834e-02]
+[1.02286279e-03 9.51211716e-03]
 domain=1 type=capture
 [6.76780024e-03 4.04282690e-02]
 [1.01848835e-03 8.89313901e-03]
diff --git a/tests/regression_tests/mgxs_library_mesh/inputs_true.dat b/tests/regression_tests/mgxs_library_mesh/inputs_true.dat
index 5cac8ecf4..ac2ff0c81 100644
--- a/tests/regression_tests/mgxs_library_mesh/inputs_true.dat
+++ b/tests/regression_tests/mgxs_library_mesh/inputs_true.dat
@@ -50,13 +50,13 @@
   <filter id="6" type="legendre">
     <order>1</order>
   </filter>
-  <filter id="28" type="legendre">
+  <filter id="30" type="legendre">
     <order>3</order>
   </filter>
-  <filter id="66" type="meshsurface">
+  <filter id="68" type="meshsurface">
     <bins>1</bins>
   </filter>
-  <filter id="77" type="delayedgroup">
+  <filter id="79" type="delayedgroup">
     <bins>1 2 3 4 5 6</bins>
   </filter>
   <tally id="1">
@@ -146,19 +146,19 @@
   <tally id="15">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>fission</scores>
+    <scores>(n,2n)</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="16">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>flux</scores>
+    <scores>(n,3n)</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="17">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>fission</scores>
+    <scores>(n,4n)</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="18">
@@ -170,206 +170,206 @@
   <tally id="19">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>nu-fission</scores>
+    <scores>absorption</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="20">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>flux</scores>
+    <scores>fission</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="21">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>kappa-fission</scores>
+    <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="22">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>flux</scores>
+    <scores>fission</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="23">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>scatter</scores>
+    <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="24">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
+    <scores>nu-fission</scores>
+    <estimator>tracklength</estimator>
   </tally>
   <tally id="25">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
   </tally>
   <tally id="26">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
+    <scores>kappa-fission</scores>
+    <estimator>tracklength</estimator>
   </tally>
   <tally id="27">
-    <filters>1 2 5 28</filters>
+    <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
   </tally>
   <tally id="28">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>scatter</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="29">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="29">
-    <filters>1 2 5 28</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
   <tally id="30">
-    <filters>1 2 5</filters>
+    <filters>1 2</filters>
     <nuclides>total</nuclides>
     <scores>nu-scatter</scores>
     <estimator>analog</estimator>
   </tally>
   <tally id="31">
-    <filters>1 2 5</filters>
+    <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>scatter</scores>
+    <scores>flux</scores>
     <estimator>analog</estimator>
   </tally>
   <tally id="32">
-    <filters>1 2</filters>
+    <filters>1 2 5 30</filters>
     <nuclides>total</nuclides>
-    <scores>flux</scores>
+    <scores>scatter</scores>
     <estimator>analog</estimator>
   </tally>
   <tally id="33">
-    <filters>1 2 5</filters>
+    <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>nu-fission</scores>
+    <scores>flux</scores>
     <estimator>analog</estimator>
   </tally>
   <tally id="34">
-    <filters>1 2 5</filters>
+    <filters>1 2 5 30</filters>
     <nuclides>total</nuclides>
-    <scores>scatter</scores>
+    <scores>nu-scatter</scores>
     <estimator>analog</estimator>
   </tally>
   <tally id="35">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="36">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="37">
-    <filters>1 2 5 28</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="38">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="39">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="40">
-    <filters>1 2 5 28</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="41">
     <filters>1 2 5</filters>
     <nuclides>total</nuclides>
     <scores>nu-scatter</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="42">
+  <tally id="36">
+    <filters>1 2 5</filters>
+    <nuclides>total</nuclides>
+    <scores>scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="37">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="38">
+    <filters>1 2 5</filters>
+    <nuclides>total</nuclides>
     <scores>nu-fission</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="43">
-    <filters>1 5</filters>
+  <tally id="39">
+    <filters>1 2 5</filters>
     <nuclides>total</nuclides>
-    <scores>nu-fission</scores>
+    <scores>scatter</scores>
     <estimator>analog</estimator>
   </tally>
+  <tally id="40">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="41">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>scatter</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="42">
+    <filters>1 2 5 30</filters>
+    <nuclides>total</nuclides>
+    <scores>scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="43">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
   <tally id="44">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>prompt-nu-fission</scores>
-    <estimator>analog</estimator>
+    <scores>scatter</scores>
+    <estimator>tracklength</estimator>
   </tally>
   <tally id="45">
-    <filters>1 5</filters>
+    <filters>1 2 5 30</filters>
     <nuclides>total</nuclides>
-    <scores>prompt-nu-fission</scores>
+    <scores>scatter</scores>
     <estimator>analog</estimator>
   </tally>
   <tally id="46">
-    <filters>1 2</filters>
+    <filters>1 2 5</filters>
     <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
+    <scores>nu-scatter</scores>
+    <estimator>analog</estimator>
   </tally>
   <tally id="47">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>inverse-velocity</scores>
-    <estimator>tracklength</estimator>
+    <scores>nu-fission</scores>
+    <estimator>analog</estimator>
   </tally>
   <tally id="48">
-    <filters>1 2</filters>
+    <filters>1 5</filters>
     <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
+    <scores>nu-fission</scores>
+    <estimator>analog</estimator>
   </tally>
   <tally id="49">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
     <scores>prompt-nu-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="50">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="51">
-    <filters>1 2 5</filters>
+  <tally id="50">
+    <filters>1 5</filters>
     <nuclides>total</nuclides>
     <scores>prompt-nu-fission</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="52">
-    <filters>66 2</filters>
+  <tally id="51">
+    <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>current</scores>
-    <estimator>analog</estimator>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="52">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>inverse-velocity</scores>
+    <estimator>tracklength</estimator>
   </tally>
   <tally id="53">
     <filters>1 2</filters>
@@ -380,7 +380,7 @@
   <tally id="54">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>total</scores>
+    <scores>prompt-nu-fission</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="55">
@@ -390,91 +390,121 @@
     <estimator>analog</estimator>
   </tally>
   <tally id="56">
-    <filters>1 5 6</filters>
+    <filters>1 2 5</filters>
     <nuclides>total</nuclides>
-    <scores>scatter</scores>
+    <scores>prompt-nu-fission</scores>
     <estimator>analog</estimator>
   </tally>
   <tally id="57">
-    <filters>1 2</filters>
+    <filters>68 2</filters>
     <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
+    <scores>current</scores>
+    <estimator>analog</estimator>
   </tally>
   <tally id="58">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>total</scores>
+    <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="59">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>total</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="60">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="60">
+  <tally id="61">
+    <filters>1 5 6</filters>
+    <nuclides>total</nuclides>
+    <scores>scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="62">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="63">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>total</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="64">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="65">
     <filters>1 5 6</filters>
     <nuclides>total</nuclides>
     <scores>nu-scatter</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="61">
+  <tally id="66">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="62">
-    <filters>1 77 2</filters>
-    <nuclides>total</nuclides>
-    <scores>delayed-nu-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="63">
-    <filters>1 77 2</filters>
-    <nuclides>total</nuclides>
-    <scores>delayed-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="64">
-    <filters>1 77 5</filters>
-    <nuclides>total</nuclides>
-    <scores>delayed-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="65">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="66">
-    <filters>1 77 2</filters>
-    <nuclides>total</nuclides>
-    <scores>delayed-nu-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
   <tally id="67">
-    <filters>1 77</filters>
+    <filters>1 79 2</filters>
     <nuclides>total</nuclides>
     <scores>delayed-nu-fission</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="68">
-    <filters>1 77</filters>
+    <filters>1 79 2</filters>
+    <nuclides>total</nuclides>
+    <scores>delayed-nu-fission</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="69">
+    <filters>1 79 5</filters>
+    <nuclides>total</nuclides>
+    <scores>delayed-nu-fission</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="70">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>nu-fission</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="71">
+    <filters>1 79 2</filters>
+    <nuclides>total</nuclides>
+    <scores>delayed-nu-fission</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="72">
+    <filters>1 79</filters>
+    <nuclides>total</nuclides>
+    <scores>delayed-nu-fission</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="73">
+    <filters>1 79</filters>
     <nuclides>total</nuclides>
     <scores>decay-rate</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="69">
+  <tally id="74">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="70">
-    <filters>1 77 2 5</filters>
+  <tally id="75">
+    <filters>1 79 2 5</filters>
     <nuclides>total</nuclides>
     <scores>delayed-nu-fission</scores>
     <estimator>analog</estimator>
diff --git a/tests/regression_tests/mgxs_library_mesh/results_true.dat b/tests/regression_tests/mgxs_library_mesh/results_true.dat
index 7a6b4abe7..390b5c453 100644
--- a/tests/regression_tests/mgxs_library_mesh/results_true.dat
+++ b/tests/regression_tests/mgxs_library_mesh/results_true.dat
@@ -24,6 +24,12 @@
 3      2  2  1        1   total  0.013286  0.000621
   mesh 1       group in nuclide      mean std. dev.
        x  y  z                                     
+0      1  1  1        1   total  0.012881  0.000835
+2      1  2  1        1   total  0.013282  0.000552
+1      2  1  1        1   total  0.013896  0.000714
+3      2  2  1        1   total  0.013180  0.000621
+  mesh 1       group in nuclide      mean std. dev.
+       x  y  z                                     
 0      1  1  1        1   total  0.001231  0.000979
 2      1  2  1        1   total  0.001332  0.000691
 1      2  1  1        1   total  0.001346  0.000770
diff --git a/tests/regression_tests/mgxs_library_no_nuclides/inputs_true.dat b/tests/regression_tests/mgxs_library_no_nuclides/inputs_true.dat
index 0d9dbf821..59cbddec4 100644
--- a/tests/regression_tests/mgxs_library_no_nuclides/inputs_true.dat
+++ b/tests/regression_tests/mgxs_library_no_nuclides/inputs_true.dat
@@ -62,19 +62,19 @@
   <filter id="6" type="legendre">
     <order>1</order>
   </filter>
-  <filter id="28" type="legendre">
+  <filter id="30" type="legendre">
     <order>3</order>
   </filter>
-  <filter id="52" type="energy">
+  <filter id="54" type="energy">
     <bins>0.0 20000000.0</bins>
   </filter>
-  <filter id="106" type="delayedgroup">
+  <filter id="108" type="delayedgroup">
     <bins>1 2 3 4 5 6</bins>
   </filter>
-  <filter id="120" type="material">
+  <filter id="122" type="material">
     <bins>2</bins>
   </filter>
-  <filter id="239" type="material">
+  <filter id="243" type="material">
     <bins>3</bins>
   </filter>
   <tally id="1">
@@ -164,19 +164,19 @@
   <tally id="15">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>fission</scores>
+    <scores>(n,2n)</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="16">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>flux</scores>
+    <scores>(n,3n)</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="17">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>fission</scores>
+    <scores>(n,4n)</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="18">
@@ -188,1673 +188,1763 @@
   <tally id="19">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>nu-fission</scores>
+    <scores>absorption</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="20">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>flux</scores>
+    <scores>fission</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="21">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>kappa-fission</scores>
+    <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="22">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>flux</scores>
+    <scores>fission</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="23">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>scatter</scores>
+    <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="24">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
+    <scores>nu-fission</scores>
+    <estimator>tracklength</estimator>
   </tally>
   <tally id="25">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
   </tally>
   <tally id="26">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
+    <scores>kappa-fission</scores>
+    <estimator>tracklength</estimator>
   </tally>
   <tally id="27">
-    <filters>1 2 5 28</filters>
+    <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
   </tally>
   <tally id="28">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>scatter</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="29">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="29">
-    <filters>1 2 5 28</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
   <tally id="30">
-    <filters>1 2 5</filters>
+    <filters>1 2</filters>
     <nuclides>total</nuclides>
     <scores>nu-scatter</scores>
     <estimator>analog</estimator>
   </tally>
   <tally id="31">
-    <filters>1 2 5</filters>
+    <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>scatter</scores>
+    <scores>flux</scores>
     <estimator>analog</estimator>
   </tally>
   <tally id="32">
-    <filters>1 2</filters>
+    <filters>1 2 5 30</filters>
     <nuclides>total</nuclides>
-    <scores>flux</scores>
+    <scores>scatter</scores>
     <estimator>analog</estimator>
   </tally>
   <tally id="33">
-    <filters>1 2 5</filters>
+    <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>nu-fission</scores>
+    <scores>flux</scores>
     <estimator>analog</estimator>
   </tally>
   <tally id="34">
-    <filters>1 2 5</filters>
+    <filters>1 2 5 30</filters>
     <nuclides>total</nuclides>
-    <scores>scatter</scores>
+    <scores>nu-scatter</scores>
     <estimator>analog</estimator>
   </tally>
   <tally id="35">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="36">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="37">
-    <filters>1 2 5 28</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="38">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="39">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="40">
-    <filters>1 2 5 28</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="41">
     <filters>1 2 5</filters>
     <nuclides>total</nuclides>
     <scores>nu-scatter</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="42">
-    <filters>1 52</filters>
+  <tally id="36">
+    <filters>1 2 5</filters>
+    <nuclides>total</nuclides>
+    <scores>scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="37">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="38">
+    <filters>1 2 5</filters>
     <nuclides>total</nuclides>
     <scores>nu-fission</scores>
     <estimator>analog</estimator>
   </tally>
+  <tally id="39">
+    <filters>1 2 5</filters>
+    <nuclides>total</nuclides>
+    <scores>scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="40">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="41">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>scatter</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="42">
+    <filters>1 2 5 30</filters>
+    <nuclides>total</nuclides>
+    <scores>scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
   <tally id="43">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="44">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>scatter</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="45">
+    <filters>1 2 5 30</filters>
+    <nuclides>total</nuclides>
+    <scores>scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="46">
+    <filters>1 2 5</filters>
+    <nuclides>total</nuclides>
+    <scores>nu-scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="47">
+    <filters>1 54</filters>
+    <nuclides>total</nuclides>
+    <scores>nu-fission</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="48">
     <filters>1 5</filters>
     <nuclides>total</nuclides>
     <scores>nu-fission</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="44">
-    <filters>1 52</filters>
+  <tally id="49">
+    <filters>1 54</filters>
     <nuclides>total</nuclides>
     <scores>prompt-nu-fission</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="45">
+  <tally id="50">
     <filters>1 5</filters>
     <nuclides>total</nuclides>
     <scores>prompt-nu-fission</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="46">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="47">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>inverse-velocity</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="48">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="49">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>prompt-nu-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="50">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
   <tally id="51">
-    <filters>1 2 5</filters>
+    <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>prompt-nu-fission</scores>
-    <estimator>analog</estimator>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
   </tally>
   <tally id="52">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>flux</scores>
+    <scores>inverse-velocity</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="53">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>total</scores>
+    <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="54">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
+    <scores>prompt-nu-fission</scores>
+    <estimator>tracklength</estimator>
   </tally>
   <tally id="55">
-    <filters>1 5 6</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="56">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
-    <estimator>tracklength</estimator>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="56">
+    <filters>1 2 5</filters>
+    <nuclides>total</nuclides>
+    <scores>prompt-nu-fission</scores>
+    <estimator>analog</estimator>
   </tally>
   <tally id="57">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>total</scores>
+    <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="58">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
+    <scores>total</scores>
+    <estimator>tracklength</estimator>
   </tally>
   <tally id="59">
-    <filters>1 5 6</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="60">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
-    <estimator>tracklength</estimator>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="60">
+    <filters>1 5 6</filters>
+    <nuclides>total</nuclides>
+    <scores>scatter</scores>
+    <estimator>analog</estimator>
   </tally>
   <tally id="61">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>(n,elastic)</scores>
+    <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="62">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>flux</scores>
+    <scores>total</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="63">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>(n,level)</scores>
-    <estimator>tracklength</estimator>
+    <scores>flux</scores>
+    <estimator>analog</estimator>
   </tally>
   <tally id="64">
-    <filters>1 2</filters>
+    <filters>1 5 6</filters>
     <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
+    <scores>nu-scatter</scores>
+    <estimator>analog</estimator>
   </tally>
   <tally id="65">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>(n,2n)</scores>
+    <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="66">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>flux</scores>
+    <scores>(n,elastic)</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="67">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>(n,na)</scores>
+    <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="68">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>flux</scores>
+    <scores>(n,level)</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="69">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>(n,nc)</scores>
+    <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="70">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>flux</scores>
+    <scores>(n,2n)</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="71">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>(n,gamma)</scores>
+    <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="72">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>flux</scores>
+    <scores>(n,na)</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="73">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>(n,a)</scores>
+    <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="74">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>flux</scores>
+    <scores>(n,nc)</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="75">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>(n,Xa)</scores>
+    <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="76">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>flux</scores>
+    <scores>(n,gamma)</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="77">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>heating</scores>
+    <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="78">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>flux</scores>
+    <scores>(n,a)</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="79">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>damage-energy</scores>
+    <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="80">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>flux</scores>
+    <scores>(n,Xa)</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="81">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>(n,n1)</scores>
+    <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="82">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>flux</scores>
+    <scores>heating</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="83">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
-    <scores>(n,a0)</scores>
+    <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="84">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>damage-energy</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="85">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="86">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>(n,n1)</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="87">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="88">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>(n,a0)</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="89">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="85">
+  <tally id="90">
     <filters>1 2 5</filters>
     <nuclides>total</nuclides>
     <scores>(n,nc)</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="86">
+  <tally id="91">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="87">
+  <tally id="92">
     <filters>1 2 5</filters>
     <nuclides>total</nuclides>
     <scores>(n,n1)</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="88">
+  <tally id="93">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="89">
+  <tally id="94">
     <filters>1 2 5</filters>
     <nuclides>total</nuclides>
     <scores>(n,2n)</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="90">
+  <tally id="95">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="91">
-    <filters>1 106 2</filters>
-    <nuclides>total</nuclides>
-    <scores>delayed-nu-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="92">
-    <filters>1 106 52</filters>
-    <nuclides>total</nuclides>
-    <scores>delayed-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="93">
-    <filters>1 106 5</filters>
-    <nuclides>total</nuclides>
-    <scores>delayed-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="94">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="95">
-    <filters>1 106 2</filters>
-    <nuclides>total</nuclides>
-    <scores>delayed-nu-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
   <tally id="96">
-    <filters>1 106</filters>
+    <filters>1 108 2</filters>
     <nuclides>total</nuclides>
     <scores>delayed-nu-fission</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="97">
-    <filters>1 106</filters>
+    <filters>1 108 54</filters>
+    <nuclides>total</nuclides>
+    <scores>delayed-nu-fission</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="98">
+    <filters>1 108 5</filters>
+    <nuclides>total</nuclides>
+    <scores>delayed-nu-fission</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="99">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>nu-fission</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="100">
+    <filters>1 108 2</filters>
+    <nuclides>total</nuclides>
+    <scores>delayed-nu-fission</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="101">
+    <filters>1 108</filters>
+    <nuclides>total</nuclides>
+    <scores>delayed-nu-fission</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="102">
+    <filters>1 108</filters>
     <nuclides>total</nuclides>
     <scores>decay-rate</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="98">
+  <tally id="103">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="99">
-    <filters>1 106 2 5</filters>
+  <tally id="104">
+    <filters>1 108 2 5</filters>
     <nuclides>total</nuclides>
     <scores>delayed-nu-fission</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="100">
-    <filters>120 2</filters>
+  <tally id="105">
+    <filters>122 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="101">
-    <filters>120 2</filters>
+  <tally id="106">
+    <filters>122 2</filters>
     <nuclides>total</nuclides>
     <scores>total</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="102">
-    <filters>120 2</filters>
+  <tally id="107">
+    <filters>122 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="103">
-    <filters>120 2</filters>
+  <tally id="108">
+    <filters>122 2</filters>
     <nuclides>total</nuclides>
     <scores>total</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="104">
-    <filters>120 2</filters>
+  <tally id="109">
+    <filters>122 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="105">
-    <filters>120 5 6</filters>
+  <tally id="110">
+    <filters>122 5 6</filters>
     <nuclides>total</nuclides>
     <scores>scatter</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="106">
-    <filters>120 2</filters>
+  <tally id="111">
+    <filters>122 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="107">
-    <filters>120 2</filters>
+  <tally id="112">
+    <filters>122 2</filters>
     <nuclides>total</nuclides>
     <scores>total</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="108">
-    <filters>120 2</filters>
+  <tally id="113">
+    <filters>122 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="109">
-    <filters>120 5 6</filters>
+  <tally id="114">
+    <filters>122 5 6</filters>
     <nuclides>total</nuclides>
     <scores>nu-scatter</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="110">
-    <filters>120 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="111">
-    <filters>120 2</filters>
-    <nuclides>total</nuclides>
-    <scores>absorption</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="112">
-    <filters>120 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="113">
-    <filters>120 2</filters>
-    <nuclides>total</nuclides>
-    <scores>absorption</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="114">
-    <filters>120 2</filters>
-    <nuclides>total</nuclides>
-    <scores>fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
   <tally id="115">
-    <filters>120 2</filters>
+    <filters>122 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="116">
-    <filters>120 2</filters>
+    <filters>122 2</filters>
     <nuclides>total</nuclides>
-    <scores>fission</scores>
+    <scores>absorption</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="117">
-    <filters>120 2</filters>
+    <filters>122 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="118">
-    <filters>120 2</filters>
+    <filters>122 2</filters>
     <nuclides>total</nuclides>
-    <scores>nu-fission</scores>
+    <scores>absorption</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="119">
-    <filters>120 2</filters>
+    <filters>122 2</filters>
+    <nuclides>total</nuclides>
+    <scores>(n,2n)</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="120">
+    <filters>122 2</filters>
+    <nuclides>total</nuclides>
+    <scores>(n,3n)</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="121">
+    <filters>122 2</filters>
+    <nuclides>total</nuclides>
+    <scores>(n,4n)</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="122">
+    <filters>122 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="120">
-    <filters>120 2</filters>
+  <tally id="123">
+    <filters>122 2</filters>
+    <nuclides>total</nuclides>
+    <scores>absorption</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="124">
+    <filters>122 2</filters>
+    <nuclides>total</nuclides>
+    <scores>fission</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="125">
+    <filters>122 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="126">
+    <filters>122 2</filters>
+    <nuclides>total</nuclides>
+    <scores>fission</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="127">
+    <filters>122 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="128">
+    <filters>122 2</filters>
+    <nuclides>total</nuclides>
+    <scores>nu-fission</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="129">
+    <filters>122 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="130">
+    <filters>122 2</filters>
     <nuclides>total</nuclides>
     <scores>kappa-fission</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="121">
-    <filters>120 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="122">
-    <filters>120 2</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="123">
-    <filters>120 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="124">
-    <filters>120 2</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="125">
-    <filters>120 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="126">
-    <filters>120 2 5 28</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="127">
-    <filters>120 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="128">
-    <filters>120 2 5 28</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="129">
-    <filters>120 2 5</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="130">
-    <filters>120 2 5</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
   <tally id="131">
-    <filters>120 2</filters>
+    <filters>122 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
-    <estimator>analog</estimator>
+    <estimator>tracklength</estimator>
   </tally>
   <tally id="132">
-    <filters>120 2 5</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="133">
-    <filters>120 2 5</filters>
+    <filters>122 2</filters>
     <nuclides>total</nuclides>
     <scores>scatter</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="133">
+    <filters>122 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
     <estimator>analog</estimator>
   </tally>
   <tally id="134">
-    <filters>120 2</filters>
+    <filters>122 2</filters>
     <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
+    <scores>nu-scatter</scores>
+    <estimator>analog</estimator>
   </tally>
   <tally id="135">
-    <filters>120 2</filters>
+    <filters>122 2</filters>
     <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>tracklength</estimator>
+    <scores>flux</scores>
+    <estimator>analog</estimator>
   </tally>
   <tally id="136">
-    <filters>120 2 5 28</filters>
+    <filters>122 2 5 30</filters>
     <nuclides>total</nuclides>
     <scores>scatter</scores>
     <estimator>analog</estimator>
   </tally>
   <tally id="137">
-    <filters>120 2</filters>
+    <filters>122 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="138">
-    <filters>120 2</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="139">
-    <filters>120 2 5 28</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="140">
-    <filters>120 2 5</filters>
+  <tally id="138">
+    <filters>122 2 5 30</filters>
     <nuclides>total</nuclides>
     <scores>nu-scatter</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="141">
-    <filters>120 52</filters>
+  <tally id="139">
+    <filters>122 2 5</filters>
     <nuclides>total</nuclides>
-    <scores>nu-fission</scores>
+    <scores>nu-scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="140">
+    <filters>122 2 5</filters>
+    <nuclides>total</nuclides>
+    <scores>scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="141">
+    <filters>122 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
     <estimator>analog</estimator>
   </tally>
   <tally id="142">
-    <filters>120 5</filters>
+    <filters>122 2 5</filters>
     <nuclides>total</nuclides>
     <scores>nu-fission</scores>
     <estimator>analog</estimator>
   </tally>
   <tally id="143">
-    <filters>120 52</filters>
+    <filters>122 2 5</filters>
     <nuclides>total</nuclides>
-    <scores>prompt-nu-fission</scores>
+    <scores>scatter</scores>
     <estimator>analog</estimator>
   </tally>
   <tally id="144">
-    <filters>120 5</filters>
-    <nuclides>total</nuclides>
-    <scores>prompt-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="145">
-    <filters>120 2</filters>
+    <filters>122 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="146">
-    <filters>120 2</filters>
+  <tally id="145">
+    <filters>122 2</filters>
     <nuclides>total</nuclides>
-    <scores>inverse-velocity</scores>
+    <scores>scatter</scores>
     <estimator>tracklength</estimator>
   </tally>
+  <tally id="146">
+    <filters>122 2 5 30</filters>
+    <nuclides>total</nuclides>
+    <scores>scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
   <tally id="147">
-    <filters>120 2</filters>
+    <filters>122 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="148">
-    <filters>120 2</filters>
+    <filters>122 2</filters>
     <nuclides>total</nuclides>
-    <scores>prompt-nu-fission</scores>
+    <scores>scatter</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="149">
-    <filters>120 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="150">
-    <filters>120 2 5</filters>
-    <nuclides>total</nuclides>
-    <scores>prompt-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="151">
-    <filters>120 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="152">
-    <filters>120 2</filters>
-    <nuclides>total</nuclides>
-    <scores>total</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="153">
-    <filters>120 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="154">
-    <filters>120 5 6</filters>
+    <filters>122 2 5 30</filters>
     <nuclides>total</nuclides>
     <scores>scatter</scores>
     <estimator>analog</estimator>
   </tally>
+  <tally id="150">
+    <filters>122 2 5</filters>
+    <nuclides>total</nuclides>
+    <scores>nu-scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="151">
+    <filters>122 54</filters>
+    <nuclides>total</nuclides>
+    <scores>nu-fission</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="152">
+    <filters>122 5</filters>
+    <nuclides>total</nuclides>
+    <scores>nu-fission</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="153">
+    <filters>122 54</filters>
+    <nuclides>total</nuclides>
+    <scores>prompt-nu-fission</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="154">
+    <filters>122 5</filters>
+    <nuclides>total</nuclides>
+    <scores>prompt-nu-fission</scores>
+    <estimator>analog</estimator>
+  </tally>
   <tally id="155">
-    <filters>120 2</filters>
+    <filters>122 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="156">
-    <filters>120 2</filters>
+    <filters>122 2</filters>
     <nuclides>total</nuclides>
-    <scores>total</scores>
+    <scores>inverse-velocity</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="157">
-    <filters>120 2</filters>
+    <filters>122 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
-    <estimator>analog</estimator>
+    <estimator>tracklength</estimator>
   </tally>
   <tally id="158">
-    <filters>120 5 6</filters>
+    <filters>122 2</filters>
     <nuclides>total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
+    <scores>prompt-nu-fission</scores>
+    <estimator>tracklength</estimator>
   </tally>
   <tally id="159">
-    <filters>120 2</filters>
+    <filters>122 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
-    <estimator>tracklength</estimator>
+    <estimator>analog</estimator>
   </tally>
   <tally id="160">
-    <filters>120 2</filters>
+    <filters>122 2 5</filters>
     <nuclides>total</nuclides>
-    <scores>(n,elastic)</scores>
-    <estimator>tracklength</estimator>
+    <scores>prompt-nu-fission</scores>
+    <estimator>analog</estimator>
   </tally>
   <tally id="161">
-    <filters>120 2</filters>
+    <filters>122 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="162">
-    <filters>120 2</filters>
+    <filters>122 2</filters>
     <nuclides>total</nuclides>
-    <scores>(n,level)</scores>
+    <scores>total</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="163">
-    <filters>120 2</filters>
+    <filters>122 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
-    <estimator>tracklength</estimator>
+    <estimator>analog</estimator>
   </tally>
   <tally id="164">
-    <filters>120 2</filters>
+    <filters>122 5 6</filters>
     <nuclides>total</nuclides>
-    <scores>(n,2n)</scores>
-    <estimator>tracklength</estimator>
+    <scores>scatter</scores>
+    <estimator>analog</estimator>
   </tally>
   <tally id="165">
-    <filters>120 2</filters>
+    <filters>122 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="166">
-    <filters>120 2</filters>
+    <filters>122 2</filters>
     <nuclides>total</nuclides>
-    <scores>(n,na)</scores>
+    <scores>total</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="167">
-    <filters>120 2</filters>
+    <filters>122 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
-    <estimator>tracklength</estimator>
+    <estimator>analog</estimator>
   </tally>
   <tally id="168">
-    <filters>120 2</filters>
+    <filters>122 5 6</filters>
     <nuclides>total</nuclides>
-    <scores>(n,nc)</scores>
-    <estimator>tracklength</estimator>
+    <scores>nu-scatter</scores>
+    <estimator>analog</estimator>
   </tally>
   <tally id="169">
-    <filters>120 2</filters>
+    <filters>122 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="170">
-    <filters>120 2</filters>
+    <filters>122 2</filters>
     <nuclides>total</nuclides>
-    <scores>(n,gamma)</scores>
+    <scores>(n,elastic)</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="171">
-    <filters>120 2</filters>
+    <filters>122 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="172">
-    <filters>120 2</filters>
+    <filters>122 2</filters>
     <nuclides>total</nuclides>
-    <scores>(n,a)</scores>
+    <scores>(n,level)</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="173">
-    <filters>120 2</filters>
+    <filters>122 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="174">
-    <filters>120 2</filters>
+    <filters>122 2</filters>
     <nuclides>total</nuclides>
-    <scores>(n,Xa)</scores>
+    <scores>(n,2n)</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="175">
-    <filters>120 2</filters>
+    <filters>122 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="176">
-    <filters>120 2</filters>
+    <filters>122 2</filters>
     <nuclides>total</nuclides>
-    <scores>heating</scores>
+    <scores>(n,na)</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="177">
-    <filters>120 2</filters>
+    <filters>122 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="178">
-    <filters>120 2</filters>
+    <filters>122 2</filters>
     <nuclides>total</nuclides>
-    <scores>damage-energy</scores>
+    <scores>(n,nc)</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="179">
-    <filters>120 2</filters>
+    <filters>122 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="180">
-    <filters>120 2</filters>
+    <filters>122 2</filters>
     <nuclides>total</nuclides>
-    <scores>(n,n1)</scores>
+    <scores>(n,gamma)</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="181">
-    <filters>120 2</filters>
+    <filters>122 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="182">
-    <filters>120 2</filters>
+    <filters>122 2</filters>
     <nuclides>total</nuclides>
-    <scores>(n,a0)</scores>
+    <scores>(n,a)</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="183">
-    <filters>120 2</filters>
+    <filters>122 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
-    <estimator>analog</estimator>
+    <estimator>tracklength</estimator>
   </tally>
   <tally id="184">
-    <filters>120 2 5</filters>
+    <filters>122 2</filters>
     <nuclides>total</nuclides>
-    <scores>(n,nc)</scores>
-    <estimator>analog</estimator>
+    <scores>(n,Xa)</scores>
+    <estimator>tracklength</estimator>
   </tally>
   <tally id="185">
-    <filters>120 2</filters>
+    <filters>122 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
-    <estimator>analog</estimator>
+    <estimator>tracklength</estimator>
   </tally>
   <tally id="186">
-    <filters>120 2 5</filters>
+    <filters>122 2</filters>
     <nuclides>total</nuclides>
-    <scores>(n,n1)</scores>
-    <estimator>analog</estimator>
+    <scores>heating</scores>
+    <estimator>tracklength</estimator>
   </tally>
   <tally id="187">
-    <filters>120 2</filters>
+    <filters>122 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
-    <estimator>analog</estimator>
+    <estimator>tracklength</estimator>
   </tally>
   <tally id="188">
-    <filters>120 2 5</filters>
+    <filters>122 2</filters>
     <nuclides>total</nuclides>
-    <scores>(n,2n)</scores>
-    <estimator>analog</estimator>
+    <scores>damage-energy</scores>
+    <estimator>tracklength</estimator>
   </tally>
   <tally id="189">
-    <filters>120 2</filters>
+    <filters>122 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="190">
-    <filters>120 106 2</filters>
+    <filters>122 2</filters>
     <nuclides>total</nuclides>
-    <scores>delayed-nu-fission</scores>
+    <scores>(n,n1)</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="191">
-    <filters>120 106 52</filters>
+    <filters>122 2</filters>
     <nuclides>total</nuclides>
-    <scores>delayed-nu-fission</scores>
-    <estimator>analog</estimator>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
   </tally>
   <tally id="192">
-    <filters>120 106 5</filters>
+    <filters>122 2</filters>
     <nuclides>total</nuclides>
-    <scores>delayed-nu-fission</scores>
-    <estimator>analog</estimator>
+    <scores>(n,a0)</scores>
+    <estimator>tracklength</estimator>
   </tally>
   <tally id="193">
-    <filters>120 2</filters>
+    <filters>122 2</filters>
     <nuclides>total</nuclides>
-    <scores>nu-fission</scores>
-    <estimator>tracklength</estimator>
+    <scores>flux</scores>
+    <estimator>analog</estimator>
   </tally>
   <tally id="194">
-    <filters>120 106 2</filters>
+    <filters>122 2 5</filters>
     <nuclides>total</nuclides>
-    <scores>delayed-nu-fission</scores>
-    <estimator>tracklength</estimator>
+    <scores>(n,nc)</scores>
+    <estimator>analog</estimator>
   </tally>
   <tally id="195">
-    <filters>120 106</filters>
+    <filters>122 2</filters>
     <nuclides>total</nuclides>
-    <scores>delayed-nu-fission</scores>
-    <estimator>tracklength</estimator>
+    <scores>flux</scores>
+    <estimator>analog</estimator>
   </tally>
   <tally id="196">
-    <filters>120 106</filters>
+    <filters>122 2 5</filters>
     <nuclides>total</nuclides>
-    <scores>decay-rate</scores>
-    <estimator>tracklength</estimator>
+    <scores>(n,n1)</scores>
+    <estimator>analog</estimator>
   </tally>
   <tally id="197">
-    <filters>120 2</filters>
+    <filters>122 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>analog</estimator>
   </tally>
   <tally id="198">
-    <filters>120 106 2 5</filters>
+    <filters>122 2 5</filters>
     <nuclides>total</nuclides>
-    <scores>delayed-nu-fission</scores>
+    <scores>(n,2n)</scores>
     <estimator>analog</estimator>
   </tally>
   <tally id="199">
-    <filters>239 2</filters>
+    <filters>122 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="200">
-    <filters>239 2</filters>
+    <filters>122 108 2</filters>
     <nuclides>total</nuclides>
-    <scores>total</scores>
+    <scores>delayed-nu-fission</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="201">
-    <filters>239 2</filters>
+    <filters>122 108 54</filters>
     <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
+    <scores>delayed-nu-fission</scores>
+    <estimator>analog</estimator>
   </tally>
   <tally id="202">
-    <filters>239 2</filters>
+    <filters>122 108 5</filters>
     <nuclides>total</nuclides>
-    <scores>total</scores>
-    <estimator>tracklength</estimator>
+    <scores>delayed-nu-fission</scores>
+    <estimator>analog</estimator>
   </tally>
   <tally id="203">
-    <filters>239 2</filters>
+    <filters>122 2</filters>
     <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
+    <scores>nu-fission</scores>
+    <estimator>tracklength</estimator>
   </tally>
   <tally id="204">
-    <filters>239 5 6</filters>
+    <filters>122 108 2</filters>
     <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
+    <scores>delayed-nu-fission</scores>
+    <estimator>tracklength</estimator>
   </tally>
   <tally id="205">
-    <filters>239 2</filters>
+    <filters>122 108</filters>
     <nuclides>total</nuclides>
-    <scores>flux</scores>
+    <scores>delayed-nu-fission</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="206">
-    <filters>239 2</filters>
+    <filters>122 108</filters>
     <nuclides>total</nuclides>
-    <scores>total</scores>
+    <scores>decay-rate</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="207">
-    <filters>239 2</filters>
+    <filters>122 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>analog</estimator>
   </tally>
   <tally id="208">
-    <filters>239 5 6</filters>
+    <filters>122 108 2 5</filters>
     <nuclides>total</nuclides>
-    <scores>nu-scatter</scores>
+    <scores>delayed-nu-fission</scores>
     <estimator>analog</estimator>
   </tally>
   <tally id="209">
-    <filters>239 2</filters>
+    <filters>243 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="210">
-    <filters>239 2</filters>
+    <filters>243 2</filters>
     <nuclides>total</nuclides>
-    <scores>absorption</scores>
+    <scores>total</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="211">
-    <filters>239 2</filters>
+    <filters>243 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="212">
-    <filters>239 2</filters>
+    <filters>243 2</filters>
+    <nuclides>total</nuclides>
+    <scores>total</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="213">
+    <filters>243 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="214">
+    <filters>243 5 6</filters>
+    <nuclides>total</nuclides>
+    <scores>scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="215">
+    <filters>243 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="216">
+    <filters>243 2</filters>
+    <nuclides>total</nuclides>
+    <scores>total</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="217">
+    <filters>243 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="218">
+    <filters>243 5 6</filters>
+    <nuclides>total</nuclides>
+    <scores>nu-scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="219">
+    <filters>243 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="220">
+    <filters>243 2</filters>
     <nuclides>total</nuclides>
     <scores>absorption</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="213">
-    <filters>239 2</filters>
-    <nuclides>total</nuclides>
-    <scores>fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="214">
-    <filters>239 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="215">
-    <filters>239 2</filters>
-    <nuclides>total</nuclides>
-    <scores>fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="216">
-    <filters>239 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="217">
-    <filters>239 2</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="218">
-    <filters>239 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="219">
-    <filters>239 2</filters>
-    <nuclides>total</nuclides>
-    <scores>kappa-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="220">
-    <filters>239 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
   <tally id="221">
-    <filters>239 2</filters>
+    <filters>243 2</filters>
     <nuclides>total</nuclides>
-    <scores>scatter</scores>
+    <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="222">
-    <filters>239 2</filters>
+    <filters>243 2</filters>
     <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
+    <scores>absorption</scores>
+    <estimator>tracklength</estimator>
   </tally>
   <tally id="223">
-    <filters>239 2</filters>
+    <filters>243 2</filters>
     <nuclides>total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
+    <scores>(n,2n)</scores>
+    <estimator>tracklength</estimator>
   </tally>
   <tally id="224">
-    <filters>239 2</filters>
+    <filters>243 2</filters>
     <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
+    <scores>(n,3n)</scores>
+    <estimator>tracklength</estimator>
   </tally>
   <tally id="225">
-    <filters>239 2 5 28</filters>
+    <filters>243 2</filters>
     <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
+    <scores>(n,4n)</scores>
+    <estimator>tracklength</estimator>
   </tally>
   <tally id="226">
-    <filters>239 2</filters>
+    <filters>243 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
-    <estimator>analog</estimator>
+    <estimator>tracklength</estimator>
   </tally>
   <tally id="227">
-    <filters>239 2 5 28</filters>
+    <filters>243 2</filters>
     <nuclides>total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
+    <scores>absorption</scores>
+    <estimator>tracklength</estimator>
   </tally>
   <tally id="228">
-    <filters>239 2 5</filters>
+    <filters>243 2</filters>
     <nuclides>total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
+    <scores>fission</scores>
+    <estimator>tracklength</estimator>
   </tally>
   <tally id="229">
-    <filters>239 2 5</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="230">
-    <filters>239 2</filters>
+    <filters>243 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
-    <estimator>analog</estimator>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="230">
+    <filters>243 2</filters>
+    <nuclides>total</nuclides>
+    <scores>fission</scores>
+    <estimator>tracklength</estimator>
   </tally>
   <tally id="231">
-    <filters>239 2 5</filters>
+    <filters>243 2</filters>
     <nuclides>total</nuclides>
-    <scores>nu-fission</scores>
-    <estimator>analog</estimator>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
   </tally>
   <tally id="232">
-    <filters>239 2 5</filters>
+    <filters>243 2</filters>
     <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
+    <scores>nu-fission</scores>
+    <estimator>tracklength</estimator>
   </tally>
   <tally id="233">
-    <filters>239 2</filters>
+    <filters>243 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="234">
-    <filters>239 2</filters>
+    <filters>243 2</filters>
     <nuclides>total</nuclides>
-    <scores>scatter</scores>
+    <scores>kappa-fission</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="235">
-    <filters>239 2 5 28</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="236">
-    <filters>239 2</filters>
+    <filters>243 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="237">
-    <filters>239 2</filters>
+  <tally id="236">
+    <filters>243 2</filters>
     <nuclides>total</nuclides>
     <scores>scatter</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="238">
-    <filters>239 2 5 28</filters>
+  <tally id="237">
+    <filters>243 2</filters>
     <nuclides>total</nuclides>
-    <scores>scatter</scores>
+    <scores>flux</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="239">
-    <filters>239 2 5</filters>
+  <tally id="238">
+    <filters>243 2</filters>
     <nuclides>total</nuclides>
     <scores>nu-scatter</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="240">
-    <filters>239 52</filters>
+  <tally id="239">
+    <filters>243 2</filters>
     <nuclides>total</nuclides>
-    <scores>nu-fission</scores>
+    <scores>flux</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="240">
+    <filters>243 2 5 30</filters>
+    <nuclides>total</nuclides>
+    <scores>scatter</scores>
     <estimator>analog</estimator>
   </tally>
   <tally id="241">
-    <filters>239 5</filters>
+    <filters>243 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="242">
+    <filters>243 2 5 30</filters>
+    <nuclides>total</nuclides>
+    <scores>nu-scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="243">
+    <filters>243 2 5</filters>
+    <nuclides>total</nuclides>
+    <scores>nu-scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="244">
+    <filters>243 2 5</filters>
+    <nuclides>total</nuclides>
+    <scores>scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="245">
+    <filters>243 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="246">
+    <filters>243 2 5</filters>
     <nuclides>total</nuclides>
     <scores>nu-fission</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="242">
-    <filters>239 52</filters>
-    <nuclides>total</nuclides>
-    <scores>prompt-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="243">
-    <filters>239 5</filters>
-    <nuclides>total</nuclides>
-    <scores>prompt-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="244">
-    <filters>239 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="245">
-    <filters>239 2</filters>
-    <nuclides>total</nuclides>
-    <scores>inverse-velocity</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="246">
-    <filters>239 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
   <tally id="247">
-    <filters>239 2</filters>
+    <filters>243 2 5</filters>
     <nuclides>total</nuclides>
-    <scores>prompt-nu-fission</scores>
-    <estimator>tracklength</estimator>
+    <scores>scatter</scores>
+    <estimator>analog</estimator>
   </tally>
   <tally id="248">
-    <filters>239 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="249">
-    <filters>239 2 5</filters>
-    <nuclides>total</nuclides>
-    <scores>prompt-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="250">
-    <filters>239 2</filters>
+    <filters>243 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="251">
-    <filters>239 2</filters>
+  <tally id="249">
+    <filters>243 2</filters>
     <nuclides>total</nuclides>
-    <scores>total</scores>
+    <scores>scatter</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="250">
+    <filters>243 2 5 30</filters>
+    <nuclides>total</nuclides>
+    <scores>scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="251">
+    <filters>243 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="252">
-    <filters>239 2</filters>
+    <filters>243 2</filters>
     <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
+    <scores>scatter</scores>
+    <estimator>tracklength</estimator>
   </tally>
   <tally id="253">
-    <filters>239 5 6</filters>
+    <filters>243 2 5 30</filters>
     <nuclides>total</nuclides>
     <scores>scatter</scores>
     <estimator>analog</estimator>
   </tally>
   <tally id="254">
-    <filters>239 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="255">
-    <filters>239 2</filters>
-    <nuclides>total</nuclides>
-    <scores>total</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="256">
-    <filters>239 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="257">
-    <filters>239 5 6</filters>
+    <filters>243 2 5</filters>
     <nuclides>total</nuclides>
     <scores>nu-scatter</scores>
     <estimator>analog</estimator>
   </tally>
+  <tally id="255">
+    <filters>243 54</filters>
+    <nuclides>total</nuclides>
+    <scores>nu-fission</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="256">
+    <filters>243 5</filters>
+    <nuclides>total</nuclides>
+    <scores>nu-fission</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="257">
+    <filters>243 54</filters>
+    <nuclides>total</nuclides>
+    <scores>prompt-nu-fission</scores>
+    <estimator>analog</estimator>
+  </tally>
   <tally id="258">
-    <filters>239 2</filters>
+    <filters>243 5</filters>
+    <nuclides>total</nuclides>
+    <scores>prompt-nu-fission</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="259">
+    <filters>243 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="259">
-    <filters>239 2</filters>
+  <tally id="260">
+    <filters>243 2</filters>
+    <nuclides>total</nuclides>
+    <scores>inverse-velocity</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="261">
+    <filters>243 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="262">
+    <filters>243 2</filters>
+    <nuclides>total</nuclides>
+    <scores>prompt-nu-fission</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="263">
+    <filters>243 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="264">
+    <filters>243 2 5</filters>
+    <nuclides>total</nuclides>
+    <scores>prompt-nu-fission</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="265">
+    <filters>243 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="266">
+    <filters>243 2</filters>
+    <nuclides>total</nuclides>
+    <scores>total</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="267">
+    <filters>243 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="268">
+    <filters>243 5 6</filters>
+    <nuclides>total</nuclides>
+    <scores>scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="269">
+    <filters>243 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="270">
+    <filters>243 2</filters>
+    <nuclides>total</nuclides>
+    <scores>total</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="271">
+    <filters>243 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="272">
+    <filters>243 5 6</filters>
+    <nuclides>total</nuclides>
+    <scores>nu-scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="273">
+    <filters>243 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="274">
+    <filters>243 2</filters>
     <nuclides>total</nuclides>
     <scores>(n,elastic)</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="260">
-    <filters>239 2</filters>
+  <tally id="275">
+    <filters>243 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="261">
-    <filters>239 2</filters>
+  <tally id="276">
+    <filters>243 2</filters>
     <nuclides>total</nuclides>
     <scores>(n,level)</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="262">
-    <filters>239 2</filters>
+  <tally id="277">
+    <filters>243 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="263">
-    <filters>239 2</filters>
+  <tally id="278">
+    <filters>243 2</filters>
     <nuclides>total</nuclides>
     <scores>(n,2n)</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="264">
-    <filters>239 2</filters>
+  <tally id="279">
+    <filters>243 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="265">
-    <filters>239 2</filters>
+  <tally id="280">
+    <filters>243 2</filters>
     <nuclides>total</nuclides>
     <scores>(n,na)</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="266">
-    <filters>239 2</filters>
+  <tally id="281">
+    <filters>243 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="267">
-    <filters>239 2</filters>
+  <tally id="282">
+    <filters>243 2</filters>
     <nuclides>total</nuclides>
     <scores>(n,nc)</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="268">
-    <filters>239 2</filters>
+  <tally id="283">
+    <filters>243 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="269">
-    <filters>239 2</filters>
+  <tally id="284">
+    <filters>243 2</filters>
     <nuclides>total</nuclides>
     <scores>(n,gamma)</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="270">
-    <filters>239 2</filters>
+  <tally id="285">
+    <filters>243 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="271">
-    <filters>239 2</filters>
+  <tally id="286">
+    <filters>243 2</filters>
     <nuclides>total</nuclides>
     <scores>(n,a)</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="272">
-    <filters>239 2</filters>
+  <tally id="287">
+    <filters>243 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="273">
-    <filters>239 2</filters>
+  <tally id="288">
+    <filters>243 2</filters>
     <nuclides>total</nuclides>
     <scores>(n,Xa)</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="274">
-    <filters>239 2</filters>
+  <tally id="289">
+    <filters>243 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="275">
-    <filters>239 2</filters>
+  <tally id="290">
+    <filters>243 2</filters>
     <nuclides>total</nuclides>
     <scores>heating</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="276">
-    <filters>239 2</filters>
+  <tally id="291">
+    <filters>243 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="277">
-    <filters>239 2</filters>
+  <tally id="292">
+    <filters>243 2</filters>
     <nuclides>total</nuclides>
     <scores>damage-energy</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="278">
-    <filters>239 2</filters>
+  <tally id="293">
+    <filters>243 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="279">
-    <filters>239 2</filters>
+  <tally id="294">
+    <filters>243 2</filters>
     <nuclides>total</nuclides>
     <scores>(n,n1)</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="280">
-    <filters>239 2</filters>
+  <tally id="295">
+    <filters>243 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="281">
-    <filters>239 2</filters>
+  <tally id="296">
+    <filters>243 2</filters>
     <nuclides>total</nuclides>
     <scores>(n,a0)</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="282">
-    <filters>239 2</filters>
+  <tally id="297">
+    <filters>243 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="283">
-    <filters>239 2 5</filters>
+  <tally id="298">
+    <filters>243 2 5</filters>
     <nuclides>total</nuclides>
     <scores>(n,nc)</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="284">
-    <filters>239 2</filters>
+  <tally id="299">
+    <filters>243 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="285">
-    <filters>239 2 5</filters>
+  <tally id="300">
+    <filters>243 2 5</filters>
     <nuclides>total</nuclides>
     <scores>(n,n1)</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="286">
-    <filters>239 2</filters>
+  <tally id="301">
+    <filters>243 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="287">
-    <filters>239 2 5</filters>
+  <tally id="302">
+    <filters>243 2 5</filters>
     <nuclides>total</nuclides>
     <scores>(n,2n)</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="288">
-    <filters>239 2</filters>
+  <tally id="303">
+    <filters>243 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="289">
-    <filters>239 106 2</filters>
+  <tally id="304">
+    <filters>243 108 2</filters>
     <nuclides>total</nuclides>
     <scores>delayed-nu-fission</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="290">
-    <filters>239 106 52</filters>
+  <tally id="305">
+    <filters>243 108 54</filters>
     <nuclides>total</nuclides>
     <scores>delayed-nu-fission</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="291">
-    <filters>239 106 5</filters>
+  <tally id="306">
+    <filters>243 108 5</filters>
     <nuclides>total</nuclides>
     <scores>delayed-nu-fission</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="292">
-    <filters>239 2</filters>
+  <tally id="307">
+    <filters>243 2</filters>
     <nuclides>total</nuclides>
     <scores>nu-fission</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="293">
-    <filters>239 106 2</filters>
+  <tally id="308">
+    <filters>243 108 2</filters>
     <nuclides>total</nuclides>
     <scores>delayed-nu-fission</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="294">
-    <filters>239 106</filters>
+  <tally id="309">
+    <filters>243 108</filters>
     <nuclides>total</nuclides>
     <scores>delayed-nu-fission</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="295">
-    <filters>239 106</filters>
+  <tally id="310">
+    <filters>243 108</filters>
     <nuclides>total</nuclides>
     <scores>decay-rate</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="296">
-    <filters>239 2</filters>
+  <tally id="311">
+    <filters>243 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="297">
-    <filters>239 106 2 5</filters>
+  <tally id="312">
+    <filters>243 108 2 5</filters>
     <nuclides>total</nuclides>
     <scores>delayed-nu-fission</scores>
     <estimator>analog</estimator>
diff --git a/tests/regression_tests/mgxs_library_no_nuclides/results_true.dat b/tests/regression_tests/mgxs_library_no_nuclides/results_true.dat
index 32ae7f4cf..dfbd183d4 100644
--- a/tests/regression_tests/mgxs_library_no_nuclides/results_true.dat
+++ b/tests/regression_tests/mgxs_library_no_nuclides/results_true.dat
@@ -14,6 +14,10 @@ absorption
    material  group in nuclide      mean  std. dev.
 1         1         1   total  0.027335   0.002038
 0         1         2   total  0.263007   0.029616
+reduced absorption
+   material  group in nuclide      mean  std. dev.
+1         1         1   total  0.027278   0.002038
+0         1         2   total  0.263007   0.029616
 capture
    material  group in nuclide      mean  std. dev.
 1         1         1   total  0.019722   0.001980
@@ -316,6 +320,10 @@ absorption
    material  group in nuclide      mean  std. dev.
 1         2         1   total  0.001395   0.000129
 0         2         2   total  0.005202   0.000498
+reduced absorption
+   material  group in nuclide      mean  std. dev.
+1         2         1   total  0.001390   0.000129
+0         2         2   total  0.005202   0.000498
 capture
    material  group in nuclide      mean  std. dev.
 1         2         1   total  0.001395   0.000129
@@ -618,6 +626,10 @@ absorption
    material  group in nuclide      mean  std. dev.
 1         3         1   total  0.000715   0.000032
 0         3         2   total  0.031290   0.001882
+reduced absorption
+   material  group in nuclide      mean  std. dev.
+1         3         1   total  0.000715   0.000032
+0         3         2   total  0.031290   0.001882
 capture
    material  group in nuclide      mean  std. dev.
 1         3         1   total  0.000715   0.000032
diff --git a/tests/regression_tests/mgxs_library_nuclides/inputs_true.dat b/tests/regression_tests/mgxs_library_nuclides/inputs_true.dat
index f29a41f3d..e45fe389e 100644
--- a/tests/regression_tests/mgxs_library_nuclides/inputs_true.dat
+++ b/tests/regression_tests/mgxs_library_nuclides/inputs_true.dat
@@ -62,16 +62,16 @@
   <filter id="6" type="legendre">
     <order>1</order>
   </filter>
-  <filter id="28" type="legendre">
+  <filter id="30" type="legendre">
     <order>3</order>
   </filter>
-  <filter id="52" type="energy">
+  <filter id="54" type="energy">
     <bins>0.0 20000000.0</bins>
   </filter>
-  <filter id="104" type="material">
+  <filter id="106" type="material">
     <bins>2</bins>
   </filter>
-  <filter id="207" type="material">
+  <filter id="211" type="material">
     <bins>3</bins>
   </filter>
   <tally id="1">
@@ -161,19 +161,19 @@
   <tally id="15">
     <filters>1 2</filters>
     <nuclides>U234 U235 U238 O16</nuclides>
-    <scores>fission</scores>
+    <scores>(n,2n)</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="16">
     <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
+    <nuclides>U234 U235 U238 O16</nuclides>
+    <scores>(n,3n)</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="17">
     <filters>1 2</filters>
     <nuclides>U234 U235 U238 O16</nuclides>
-    <scores>fission</scores>
+    <scores>(n,4n)</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="18">
@@ -185,1493 +185,1583 @@
   <tally id="19">
     <filters>1 2</filters>
     <nuclides>U234 U235 U238 O16</nuclides>
-    <scores>nu-fission</scores>
+    <scores>absorption</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="20">
+    <filters>1 2</filters>
+    <nuclides>U234 U235 U238 O16</nuclides>
+    <scores>fission</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="21">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="21">
+  <tally id="22">
+    <filters>1 2</filters>
+    <nuclides>U234 U235 U238 O16</nuclides>
+    <scores>fission</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="23">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="24">
+    <filters>1 2</filters>
+    <nuclides>U234 U235 U238 O16</nuclides>
+    <scores>nu-fission</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="25">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="26">
     <filters>1 2</filters>
     <nuclides>U234 U235 U238 O16</nuclides>
     <scores>kappa-fission</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="22">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="23">
-    <filters>1 2</filters>
-    <nuclides>U234 U235 U238 O16</nuclides>
-    <scores>scatter</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="24">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="25">
-    <filters>1 2</filters>
-    <nuclides>U234 U235 U238 O16</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="26">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
   <tally id="27">
-    <filters>1 2 5 28</filters>
-    <nuclides>U234 U235 U238 O16</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
   </tally>
   <tally id="28">
+    <filters>1 2</filters>
+    <nuclides>U234 U235 U238 O16</nuclides>
+    <scores>scatter</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="29">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="29">
-    <filters>1 2 5 28</filters>
-    <nuclides>U234 U235 U238 O16</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
   <tally id="30">
-    <filters>1 2 5</filters>
+    <filters>1 2</filters>
     <nuclides>U234 U235 U238 O16</nuclides>
     <scores>nu-scatter</scores>
     <estimator>analog</estimator>
   </tally>
   <tally id="31">
-    <filters>1 2 5</filters>
-    <nuclides>U234 U235 U238 O16</nuclides>
-    <scores>scatter</scores>
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
     <estimator>analog</estimator>
   </tally>
   <tally id="32">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
+    <filters>1 2 5 30</filters>
+    <nuclides>U234 U235 U238 O16</nuclides>
+    <scores>scatter</scores>
     <estimator>analog</estimator>
   </tally>
   <tally id="33">
-    <filters>1 2 5</filters>
-    <nuclides>U234 U235 U238 O16</nuclides>
-    <scores>nu-fission</scores>
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
     <estimator>analog</estimator>
   </tally>
   <tally id="34">
-    <filters>1 2 5</filters>
+    <filters>1 2 5 30</filters>
     <nuclides>U234 U235 U238 O16</nuclides>
-    <scores>scatter</scores>
+    <scores>nu-scatter</scores>
     <estimator>analog</estimator>
   </tally>
   <tally id="35">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="36">
-    <filters>1 2</filters>
-    <nuclides>U234 U235 U238 O16</nuclides>
-    <scores>scatter</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="37">
-    <filters>1 2 5 28</filters>
-    <nuclides>U234 U235 U238 O16</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="38">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="39">
-    <filters>1 2</filters>
-    <nuclides>U234 U235 U238 O16</nuclides>
-    <scores>scatter</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="40">
-    <filters>1 2 5 28</filters>
-    <nuclides>U234 U235 U238 O16</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="41">
     <filters>1 2 5</filters>
     <nuclides>U234 U235 U238 O16</nuclides>
     <scores>nu-scatter</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="42">
-    <filters>1 52</filters>
+  <tally id="36">
+    <filters>1 2 5</filters>
+    <nuclides>U234 U235 U238 O16</nuclides>
+    <scores>scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="37">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="38">
+    <filters>1 2 5</filters>
     <nuclides>U234 U235 U238 O16</nuclides>
     <scores>nu-fission</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="43">
-    <filters>1 5</filters>
+  <tally id="39">
+    <filters>1 2 5</filters>
     <nuclides>U234 U235 U238 O16</nuclides>
-    <scores>nu-fission</scores>
+    <scores>scatter</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="44">
-    <filters>1 52</filters>
-    <nuclides>U234 U235 U238 O16</nuclides>
-    <scores>prompt-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="45">
-    <filters>1 5</filters>
-    <nuclides>U234 U235 U238 O16</nuclides>
-    <scores>prompt-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="46">
+  <tally id="40">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
+  <tally id="41">
+    <filters>1 2</filters>
+    <nuclides>U234 U235 U238 O16</nuclides>
+    <scores>scatter</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="42">
+    <filters>1 2 5 30</filters>
+    <nuclides>U234 U235 U238 O16</nuclides>
+    <scores>scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="43">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="44">
+    <filters>1 2</filters>
+    <nuclides>U234 U235 U238 O16</nuclides>
+    <scores>scatter</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="45">
+    <filters>1 2 5 30</filters>
+    <nuclides>U234 U235 U238 O16</nuclides>
+    <scores>scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="46">
+    <filters>1 2 5</filters>
+    <nuclides>U234 U235 U238 O16</nuclides>
+    <scores>nu-scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
   <tally id="47">
+    <filters>1 54</filters>
+    <nuclides>U234 U235 U238 O16</nuclides>
+    <scores>nu-fission</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="48">
+    <filters>1 5</filters>
+    <nuclides>U234 U235 U238 O16</nuclides>
+    <scores>nu-fission</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="49">
+    <filters>1 54</filters>
+    <nuclides>U234 U235 U238 O16</nuclides>
+    <scores>prompt-nu-fission</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="50">
+    <filters>1 5</filters>
+    <nuclides>U234 U235 U238 O16</nuclides>
+    <scores>prompt-nu-fission</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="51">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="52">
     <filters>1 2</filters>
     <nuclides>U234 U235 U238 O16</nuclides>
     <scores>inverse-velocity</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="48">
+  <tally id="53">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="49">
+  <tally id="54">
     <filters>1 2</filters>
     <nuclides>U234 U235 U238 O16</nuclides>
     <scores>prompt-nu-fission</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="50">
+  <tally id="55">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="51">
+  <tally id="56">
     <filters>1 2 5</filters>
     <nuclides>U234 U235 U238 O16</nuclides>
     <scores>prompt-nu-fission</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="52">
+  <tally id="57">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="53">
+  <tally id="58">
     <filters>1 2</filters>
     <nuclides>U234 U235 U238 O16</nuclides>
     <scores>total</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="54">
+  <tally id="59">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="55">
+  <tally id="60">
     <filters>1 5 6</filters>
     <nuclides>U234 U235 U238 O16</nuclides>
     <scores>scatter</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="56">
+  <tally id="61">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="57">
+  <tally id="62">
     <filters>1 2</filters>
     <nuclides>U234 U235 U238 O16</nuclides>
     <scores>total</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="58">
+  <tally id="63">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="59">
+  <tally id="64">
     <filters>1 5 6</filters>
     <nuclides>U234 U235 U238 O16</nuclides>
     <scores>nu-scatter</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="60">
+  <tally id="65">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="61">
+  <tally id="66">
     <filters>1 2</filters>
     <nuclides>U234 U235 U238 O16</nuclides>
     <scores>(n,elastic)</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="62">
+  <tally id="67">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="63">
+  <tally id="68">
     <filters>1 2</filters>
     <nuclides>U234 U235 U238 O16</nuclides>
     <scores>(n,level)</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="64">
+  <tally id="69">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="65">
+  <tally id="70">
     <filters>1 2</filters>
     <nuclides>U234 U235 U238 O16</nuclides>
     <scores>(n,2n)</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="66">
+  <tally id="71">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="67">
+  <tally id="72">
     <filters>1 2</filters>
     <nuclides>U234 U235 U238 O16</nuclides>
     <scores>(n,na)</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="68">
+  <tally id="73">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="69">
+  <tally id="74">
     <filters>1 2</filters>
     <nuclides>U234 U235 U238 O16</nuclides>
     <scores>(n,nc)</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="70">
+  <tally id="75">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="71">
+  <tally id="76">
     <filters>1 2</filters>
     <nuclides>U234 U235 U238 O16</nuclides>
     <scores>(n,gamma)</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="72">
+  <tally id="77">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="73">
+  <tally id="78">
     <filters>1 2</filters>
     <nuclides>U234 U235 U238 O16</nuclides>
     <scores>(n,a)</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="74">
+  <tally id="79">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="75">
+  <tally id="80">
     <filters>1 2</filters>
     <nuclides>U234 U235 U238 O16</nuclides>
     <scores>(n,Xa)</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="76">
+  <tally id="81">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="77">
+  <tally id="82">
     <filters>1 2</filters>
     <nuclides>U234 U235 U238 O16</nuclides>
     <scores>heating</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="78">
+  <tally id="83">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="79">
+  <tally id="84">
     <filters>1 2</filters>
     <nuclides>U234 U235 U238 O16</nuclides>
     <scores>damage-energy</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="80">
+  <tally id="85">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="81">
+  <tally id="86">
     <filters>1 2</filters>
     <nuclides>U234 U235 U238 O16</nuclides>
     <scores>(n,n1)</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="82">
+  <tally id="87">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="83">
+  <tally id="88">
     <filters>1 2</filters>
     <nuclides>U234 U235 U238 O16</nuclides>
     <scores>(n,a0)</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="84">
+  <tally id="89">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="85">
+  <tally id="90">
     <filters>1 2 5</filters>
     <nuclides>U234 U235 U238 O16</nuclides>
     <scores>(n,nc)</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="86">
+  <tally id="91">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="87">
+  <tally id="92">
     <filters>1 2 5</filters>
     <nuclides>U234 U235 U238 O16</nuclides>
     <scores>(n,n1)</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="88">
+  <tally id="93">
     <filters>1 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="89">
+  <tally id="94">
     <filters>1 2 5</filters>
     <nuclides>U234 U235 U238 O16</nuclides>
     <scores>(n,2n)</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="90">
-    <filters>104 2</filters>
+  <tally id="95">
+    <filters>106 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="91">
-    <filters>104 2</filters>
+  <tally id="96">
+    <filters>106 2</filters>
     <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
     <scores>total</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="92">
-    <filters>104 2</filters>
+  <tally id="97">
+    <filters>106 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="93">
-    <filters>104 2</filters>
+  <tally id="98">
+    <filters>106 2</filters>
     <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
     <scores>total</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="94">
-    <filters>104 2</filters>
+  <tally id="99">
+    <filters>106 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="95">
-    <filters>104 5 6</filters>
+  <tally id="100">
+    <filters>106 5 6</filters>
     <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
     <scores>scatter</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="96">
-    <filters>104 2</filters>
+  <tally id="101">
+    <filters>106 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="97">
-    <filters>104 2</filters>
+  <tally id="102">
+    <filters>106 2</filters>
     <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
     <scores>total</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="98">
-    <filters>104 2</filters>
+  <tally id="103">
+    <filters>106 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="99">
-    <filters>104 5 6</filters>
+  <tally id="104">
+    <filters>106 5 6</filters>
     <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
     <scores>nu-scatter</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="100">
-    <filters>104 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="101">
-    <filters>104 2</filters>
-    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>absorption</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="102">
-    <filters>104 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="103">
-    <filters>104 2</filters>
-    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>absorption</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="104">
-    <filters>104 2</filters>
-    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
   <tally id="105">
-    <filters>104 2</filters>
+    <filters>106 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="106">
-    <filters>104 2</filters>
+    <filters>106 2</filters>
     <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>fission</scores>
+    <scores>absorption</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="107">
-    <filters>104 2</filters>
+    <filters>106 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="108">
-    <filters>104 2</filters>
+    <filters>106 2</filters>
     <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>nu-fission</scores>
+    <scores>absorption</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="109">
-    <filters>104 2</filters>
+    <filters>106 2</filters>
+    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
+    <scores>(n,2n)</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="110">
+    <filters>106 2</filters>
+    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
+    <scores>(n,3n)</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="111">
+    <filters>106 2</filters>
+    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
+    <scores>(n,4n)</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="112">
+    <filters>106 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="110">
-    <filters>104 2</filters>
+  <tally id="113">
+    <filters>106 2</filters>
+    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
+    <scores>absorption</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="114">
+    <filters>106 2</filters>
+    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
+    <scores>fission</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="115">
+    <filters>106 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="116">
+    <filters>106 2</filters>
+    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
+    <scores>fission</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="117">
+    <filters>106 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="118">
+    <filters>106 2</filters>
+    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
+    <scores>nu-fission</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="119">
+    <filters>106 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="120">
+    <filters>106 2</filters>
     <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
     <scores>kappa-fission</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="111">
-    <filters>104 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="112">
-    <filters>104 2</filters>
-    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>scatter</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="113">
-    <filters>104 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="114">
-    <filters>104 2</filters>
-    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="115">
-    <filters>104 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="116">
-    <filters>104 2 5 28</filters>
-    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="117">
-    <filters>104 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="118">
-    <filters>104 2 5 28</filters>
-    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="119">
-    <filters>104 2 5</filters>
-    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="120">
-    <filters>104 2 5</filters>
-    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
   <tally id="121">
-    <filters>104 2</filters>
+    <filters>106 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
-    <estimator>analog</estimator>
+    <estimator>tracklength</estimator>
   </tally>
   <tally id="122">
-    <filters>104 2 5</filters>
-    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="123">
-    <filters>104 2 5</filters>
+    <filters>106 2</filters>
     <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
     <scores>scatter</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="123">
+    <filters>106 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
     <estimator>analog</estimator>
   </tally>
   <tally id="124">
-    <filters>104 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
+    <filters>106 2</filters>
+    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
+    <scores>nu-scatter</scores>
+    <estimator>analog</estimator>
   </tally>
   <tally id="125">
-    <filters>104 2</filters>
-    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>scatter</scores>
-    <estimator>tracklength</estimator>
+    <filters>106 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>analog</estimator>
   </tally>
   <tally id="126">
-    <filters>104 2 5 28</filters>
+    <filters>106 2 5 30</filters>
     <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
     <scores>scatter</scores>
     <estimator>analog</estimator>
   </tally>
   <tally id="127">
-    <filters>104 2</filters>
+    <filters>106 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="128">
-    <filters>104 2</filters>
-    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>scatter</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="129">
-    <filters>104 2 5 28</filters>
-    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>scatter</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="130">
-    <filters>104 2 5</filters>
+  <tally id="128">
+    <filters>106 2 5 30</filters>
     <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
     <scores>nu-scatter</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="131">
-    <filters>104 52</filters>
+  <tally id="129">
+    <filters>106 2 5</filters>
     <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>nu-fission</scores>
+    <scores>nu-scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="130">
+    <filters>106 2 5</filters>
+    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
+    <scores>scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="131">
+    <filters>106 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
     <estimator>analog</estimator>
   </tally>
   <tally id="132">
-    <filters>104 5</filters>
+    <filters>106 2 5</filters>
     <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
     <scores>nu-fission</scores>
     <estimator>analog</estimator>
   </tally>
   <tally id="133">
-    <filters>104 52</filters>
+    <filters>106 2 5</filters>
     <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>prompt-nu-fission</scores>
+    <scores>scatter</scores>
     <estimator>analog</estimator>
   </tally>
   <tally id="134">
-    <filters>104 5</filters>
-    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>prompt-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="135">
-    <filters>104 2</filters>
+    <filters>106 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="136">
-    <filters>104 2</filters>
+  <tally id="135">
+    <filters>106 2</filters>
     <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>inverse-velocity</scores>
+    <scores>scatter</scores>
     <estimator>tracklength</estimator>
   </tally>
+  <tally id="136">
+    <filters>106 2 5 30</filters>
+    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
+    <scores>scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
   <tally id="137">
-    <filters>104 2</filters>
+    <filters>106 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="138">
-    <filters>104 2</filters>
+    <filters>106 2</filters>
     <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>prompt-nu-fission</scores>
+    <scores>scatter</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="139">
-    <filters>104 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="140">
-    <filters>104 2 5</filters>
-    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>prompt-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="141">
-    <filters>104 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="142">
-    <filters>104 2</filters>
-    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>total</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="143">
-    <filters>104 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="144">
-    <filters>104 5 6</filters>
+    <filters>106 2 5 30</filters>
     <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
     <scores>scatter</scores>
     <estimator>analog</estimator>
   </tally>
+  <tally id="140">
+    <filters>106 2 5</filters>
+    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
+    <scores>nu-scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="141">
+    <filters>106 54</filters>
+    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
+    <scores>nu-fission</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="142">
+    <filters>106 5</filters>
+    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
+    <scores>nu-fission</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="143">
+    <filters>106 54</filters>
+    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
+    <scores>prompt-nu-fission</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="144">
+    <filters>106 5</filters>
+    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
+    <scores>prompt-nu-fission</scores>
+    <estimator>analog</estimator>
+  </tally>
   <tally id="145">
-    <filters>104 2</filters>
+    <filters>106 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="146">
-    <filters>104 2</filters>
+    <filters>106 2</filters>
     <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>total</scores>
+    <scores>inverse-velocity</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="147">
-    <filters>104 2</filters>
+    <filters>106 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
-    <estimator>analog</estimator>
+    <estimator>tracklength</estimator>
   </tally>
   <tally id="148">
-    <filters>104 5 6</filters>
+    <filters>106 2</filters>
     <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
+    <scores>prompt-nu-fission</scores>
+    <estimator>tracklength</estimator>
   </tally>
   <tally id="149">
-    <filters>104 2</filters>
+    <filters>106 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
-    <estimator>tracklength</estimator>
+    <estimator>analog</estimator>
   </tally>
   <tally id="150">
-    <filters>104 2</filters>
+    <filters>106 2 5</filters>
     <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>(n,elastic)</scores>
-    <estimator>tracklength</estimator>
+    <scores>prompt-nu-fission</scores>
+    <estimator>analog</estimator>
   </tally>
   <tally id="151">
-    <filters>104 2</filters>
+    <filters>106 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="152">
-    <filters>104 2</filters>
+    <filters>106 2</filters>
     <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>(n,level)</scores>
+    <scores>total</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="153">
-    <filters>104 2</filters>
+    <filters>106 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
-    <estimator>tracklength</estimator>
+    <estimator>analog</estimator>
   </tally>
   <tally id="154">
-    <filters>104 2</filters>
+    <filters>106 5 6</filters>
     <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>(n,2n)</scores>
-    <estimator>tracklength</estimator>
+    <scores>scatter</scores>
+    <estimator>analog</estimator>
   </tally>
   <tally id="155">
-    <filters>104 2</filters>
+    <filters>106 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="156">
-    <filters>104 2</filters>
+    <filters>106 2</filters>
     <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>(n,na)</scores>
+    <scores>total</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="157">
-    <filters>104 2</filters>
+    <filters>106 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
-    <estimator>tracklength</estimator>
+    <estimator>analog</estimator>
   </tally>
   <tally id="158">
-    <filters>104 2</filters>
+    <filters>106 5 6</filters>
     <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>(n,nc)</scores>
-    <estimator>tracklength</estimator>
+    <scores>nu-scatter</scores>
+    <estimator>analog</estimator>
   </tally>
   <tally id="159">
-    <filters>104 2</filters>
+    <filters>106 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="160">
-    <filters>104 2</filters>
+    <filters>106 2</filters>
     <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>(n,gamma)</scores>
+    <scores>(n,elastic)</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="161">
-    <filters>104 2</filters>
+    <filters>106 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="162">
-    <filters>104 2</filters>
+    <filters>106 2</filters>
     <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>(n,a)</scores>
+    <scores>(n,level)</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="163">
-    <filters>104 2</filters>
+    <filters>106 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="164">
-    <filters>104 2</filters>
+    <filters>106 2</filters>
     <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>(n,Xa)</scores>
+    <scores>(n,2n)</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="165">
-    <filters>104 2</filters>
+    <filters>106 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="166">
-    <filters>104 2</filters>
+    <filters>106 2</filters>
     <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>heating</scores>
+    <scores>(n,na)</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="167">
-    <filters>104 2</filters>
+    <filters>106 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="168">
-    <filters>104 2</filters>
+    <filters>106 2</filters>
     <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>damage-energy</scores>
+    <scores>(n,nc)</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="169">
-    <filters>104 2</filters>
+    <filters>106 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="170">
-    <filters>104 2</filters>
+    <filters>106 2</filters>
     <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>(n,n1)</scores>
+    <scores>(n,gamma)</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="171">
-    <filters>104 2</filters>
+    <filters>106 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="172">
-    <filters>104 2</filters>
+    <filters>106 2</filters>
     <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>(n,a0)</scores>
+    <scores>(n,a)</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="173">
-    <filters>104 2</filters>
+    <filters>106 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
-    <estimator>analog</estimator>
+    <estimator>tracklength</estimator>
   </tally>
   <tally id="174">
-    <filters>104 2 5</filters>
+    <filters>106 2</filters>
     <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>(n,nc)</scores>
-    <estimator>analog</estimator>
+    <scores>(n,Xa)</scores>
+    <estimator>tracklength</estimator>
   </tally>
   <tally id="175">
-    <filters>104 2</filters>
+    <filters>106 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
-    <estimator>analog</estimator>
+    <estimator>tracklength</estimator>
   </tally>
   <tally id="176">
-    <filters>104 2 5</filters>
+    <filters>106 2</filters>
     <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>(n,n1)</scores>
-    <estimator>analog</estimator>
+    <scores>heating</scores>
+    <estimator>tracklength</estimator>
   </tally>
   <tally id="177">
-    <filters>104 2</filters>
+    <filters>106 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
-    <estimator>analog</estimator>
+    <estimator>tracklength</estimator>
   </tally>
   <tally id="178">
-    <filters>104 2 5</filters>
+    <filters>106 2</filters>
     <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>(n,2n)</scores>
-    <estimator>analog</estimator>
+    <scores>damage-energy</scores>
+    <estimator>tracklength</estimator>
   </tally>
   <tally id="179">
-    <filters>207 2</filters>
+    <filters>106 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="180">
-    <filters>207 2</filters>
-    <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>total</scores>
+    <filters>106 2</filters>
+    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
+    <scores>(n,n1)</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="181">
-    <filters>207 2</filters>
+    <filters>106 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="182">
-    <filters>207 2</filters>
-    <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>total</scores>
+    <filters>106 2</filters>
+    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
+    <scores>(n,a0)</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="183">
-    <filters>207 2</filters>
+    <filters>106 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>analog</estimator>
   </tally>
   <tally id="184">
-    <filters>207 5 6</filters>
-    <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>scatter</scores>
+    <filters>106 2 5</filters>
+    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
+    <scores>(n,nc)</scores>
     <estimator>analog</estimator>
   </tally>
   <tally id="185">
-    <filters>207 2</filters>
+    <filters>106 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
-    <estimator>tracklength</estimator>
+    <estimator>analog</estimator>
   </tally>
   <tally id="186">
-    <filters>207 2</filters>
-    <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>total</scores>
-    <estimator>tracklength</estimator>
+    <filters>106 2 5</filters>
+    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
+    <scores>(n,n1)</scores>
+    <estimator>analog</estimator>
   </tally>
   <tally id="187">
-    <filters>207 2</filters>
+    <filters>106 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>analog</estimator>
   </tally>
   <tally id="188">
-    <filters>207 5 6</filters>
-    <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>nu-scatter</scores>
+    <filters>106 2 5</filters>
+    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
+    <scores>(n,2n)</scores>
     <estimator>analog</estimator>
   </tally>
   <tally id="189">
-    <filters>207 2</filters>
+    <filters>211 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="190">
-    <filters>207 2</filters>
+    <filters>211 2</filters>
     <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>absorption</scores>
+    <scores>total</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="191">
-    <filters>207 2</filters>
+    <filters>211 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="192">
-    <filters>207 2</filters>
+    <filters>211 2</filters>
+    <nuclides>H1 O16 B10 B11</nuclides>
+    <scores>total</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="193">
+    <filters>211 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="194">
+    <filters>211 5 6</filters>
+    <nuclides>H1 O16 B10 B11</nuclides>
+    <scores>scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="195">
+    <filters>211 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="196">
+    <filters>211 2</filters>
+    <nuclides>H1 O16 B10 B11</nuclides>
+    <scores>total</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="197">
+    <filters>211 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="198">
+    <filters>211 5 6</filters>
+    <nuclides>H1 O16 B10 B11</nuclides>
+    <scores>nu-scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="199">
+    <filters>211 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="200">
+    <filters>211 2</filters>
     <nuclides>H1 O16 B10 B11</nuclides>
     <scores>absorption</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="193">
-    <filters>207 2</filters>
-    <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="194">
-    <filters>207 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="195">
-    <filters>207 2</filters>
-    <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="196">
-    <filters>207 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="197">
-    <filters>207 2</filters>
-    <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>nu-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="198">
-    <filters>207 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="199">
-    <filters>207 2</filters>
-    <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>kappa-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="200">
-    <filters>207 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
   <tally id="201">
-    <filters>207 2</filters>
-    <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>scatter</scores>
+    <filters>211 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="202">
-    <filters>207 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
+    <filters>211 2</filters>
+    <nuclides>H1 O16 B10 B11</nuclides>
+    <scores>absorption</scores>
+    <estimator>tracklength</estimator>
   </tally>
   <tally id="203">
-    <filters>207 2</filters>
+    <filters>211 2</filters>
     <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
+    <scores>(n,2n)</scores>
+    <estimator>tracklength</estimator>
   </tally>
   <tally id="204">
-    <filters>207 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
+    <filters>211 2</filters>
+    <nuclides>H1 O16 B10 B11</nuclides>
+    <scores>(n,3n)</scores>
+    <estimator>tracklength</estimator>
   </tally>
   <tally id="205">
-    <filters>207 2 5 28</filters>
+    <filters>211 2</filters>
     <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
+    <scores>(n,4n)</scores>
+    <estimator>tracklength</estimator>
   </tally>
   <tally id="206">
-    <filters>207 2</filters>
+    <filters>211 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
-    <estimator>analog</estimator>
+    <estimator>tracklength</estimator>
   </tally>
   <tally id="207">
-    <filters>207 2 5 28</filters>
+    <filters>211 2</filters>
     <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
+    <scores>absorption</scores>
+    <estimator>tracklength</estimator>
   </tally>
   <tally id="208">
-    <filters>207 2 5</filters>
+    <filters>211 2</filters>
     <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
+    <scores>fission</scores>
+    <estimator>tracklength</estimator>
   </tally>
   <tally id="209">
-    <filters>207 2 5</filters>
-    <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="210">
-    <filters>207 2</filters>
+    <filters>211 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
-    <estimator>analog</estimator>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="210">
+    <filters>211 2</filters>
+    <nuclides>H1 O16 B10 B11</nuclides>
+    <scores>fission</scores>
+    <estimator>tracklength</estimator>
   </tally>
   <tally id="211">
-    <filters>207 2 5</filters>
-    <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>nu-fission</scores>
-    <estimator>analog</estimator>
+    <filters>211 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
   </tally>
   <tally id="212">
-    <filters>207 2 5</filters>
+    <filters>211 2</filters>
     <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
+    <scores>nu-fission</scores>
+    <estimator>tracklength</estimator>
   </tally>
   <tally id="213">
-    <filters>207 2</filters>
+    <filters>211 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="214">
-    <filters>207 2</filters>
+    <filters>211 2</filters>
     <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>scatter</scores>
+    <scores>kappa-fission</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="215">
-    <filters>207 2 5 28</filters>
-    <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="216">
-    <filters>207 2</filters>
+    <filters>211 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="217">
-    <filters>207 2</filters>
+  <tally id="216">
+    <filters>211 2</filters>
     <nuclides>H1 O16 B10 B11</nuclides>
     <scores>scatter</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="218">
-    <filters>207 2 5 28</filters>
-    <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>scatter</scores>
+  <tally id="217">
+    <filters>211 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="219">
-    <filters>207 2 5</filters>
+  <tally id="218">
+    <filters>211 2</filters>
     <nuclides>H1 O16 B10 B11</nuclides>
     <scores>nu-scatter</scores>
     <estimator>analog</estimator>
   </tally>
+  <tally id="219">
+    <filters>211 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>analog</estimator>
+  </tally>
   <tally id="220">
-    <filters>207 52</filters>
+    <filters>211 2 5 30</filters>
     <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>nu-fission</scores>
+    <scores>scatter</scores>
     <estimator>analog</estimator>
   </tally>
   <tally id="221">
-    <filters>207 5</filters>
+    <filters>211 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="222">
+    <filters>211 2 5 30</filters>
+    <nuclides>H1 O16 B10 B11</nuclides>
+    <scores>nu-scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="223">
+    <filters>211 2 5</filters>
+    <nuclides>H1 O16 B10 B11</nuclides>
+    <scores>nu-scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="224">
+    <filters>211 2 5</filters>
+    <nuclides>H1 O16 B10 B11</nuclides>
+    <scores>scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="225">
+    <filters>211 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="226">
+    <filters>211 2 5</filters>
     <nuclides>H1 O16 B10 B11</nuclides>
     <scores>nu-fission</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="222">
-    <filters>207 52</filters>
-    <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>prompt-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="223">
-    <filters>207 5</filters>
-    <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>prompt-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="224">
-    <filters>207 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="225">
-    <filters>207 2</filters>
-    <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>inverse-velocity</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="226">
-    <filters>207 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
   <tally id="227">
-    <filters>207 2</filters>
+    <filters>211 2 5</filters>
     <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>prompt-nu-fission</scores>
-    <estimator>tracklength</estimator>
+    <scores>scatter</scores>
+    <estimator>analog</estimator>
   </tally>
   <tally id="228">
-    <filters>207 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="229">
-    <filters>207 2 5</filters>
-    <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>prompt-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="230">
-    <filters>207 2</filters>
+    <filters>211 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="231">
-    <filters>207 2</filters>
+  <tally id="229">
+    <filters>211 2</filters>
     <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>total</scores>
+    <scores>scatter</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="230">
+    <filters>211 2 5 30</filters>
+    <nuclides>H1 O16 B10 B11</nuclides>
+    <scores>scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="231">
+    <filters>211 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
   <tally id="232">
-    <filters>207 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
+    <filters>211 2</filters>
+    <nuclides>H1 O16 B10 B11</nuclides>
+    <scores>scatter</scores>
+    <estimator>tracklength</estimator>
   </tally>
   <tally id="233">
-    <filters>207 5 6</filters>
+    <filters>211 2 5 30</filters>
     <nuclides>H1 O16 B10 B11</nuclides>
     <scores>scatter</scores>
     <estimator>analog</estimator>
   </tally>
   <tally id="234">
-    <filters>207 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="235">
-    <filters>207 2</filters>
-    <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>total</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="236">
-    <filters>207 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="237">
-    <filters>207 5 6</filters>
+    <filters>211 2 5</filters>
     <nuclides>H1 O16 B10 B11</nuclides>
     <scores>nu-scatter</scores>
     <estimator>analog</estimator>
   </tally>
+  <tally id="235">
+    <filters>211 54</filters>
+    <nuclides>H1 O16 B10 B11</nuclides>
+    <scores>nu-fission</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="236">
+    <filters>211 5</filters>
+    <nuclides>H1 O16 B10 B11</nuclides>
+    <scores>nu-fission</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="237">
+    <filters>211 54</filters>
+    <nuclides>H1 O16 B10 B11</nuclides>
+    <scores>prompt-nu-fission</scores>
+    <estimator>analog</estimator>
+  </tally>
   <tally id="238">
-    <filters>207 2</filters>
+    <filters>211 5</filters>
+    <nuclides>H1 O16 B10 B11</nuclides>
+    <scores>prompt-nu-fission</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="239">
+    <filters>211 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="239">
-    <filters>207 2</filters>
+  <tally id="240">
+    <filters>211 2</filters>
+    <nuclides>H1 O16 B10 B11</nuclides>
+    <scores>inverse-velocity</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="241">
+    <filters>211 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="242">
+    <filters>211 2</filters>
+    <nuclides>H1 O16 B10 B11</nuclides>
+    <scores>prompt-nu-fission</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="243">
+    <filters>211 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="244">
+    <filters>211 2 5</filters>
+    <nuclides>H1 O16 B10 B11</nuclides>
+    <scores>prompt-nu-fission</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="245">
+    <filters>211 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="246">
+    <filters>211 2</filters>
+    <nuclides>H1 O16 B10 B11</nuclides>
+    <scores>total</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="247">
+    <filters>211 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="248">
+    <filters>211 5 6</filters>
+    <nuclides>H1 O16 B10 B11</nuclides>
+    <scores>scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="249">
+    <filters>211 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="250">
+    <filters>211 2</filters>
+    <nuclides>H1 O16 B10 B11</nuclides>
+    <scores>total</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="251">
+    <filters>211 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="252">
+    <filters>211 5 6</filters>
+    <nuclides>H1 O16 B10 B11</nuclides>
+    <scores>nu-scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="253">
+    <filters>211 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="254">
+    <filters>211 2</filters>
     <nuclides>H1 O16 B10 B11</nuclides>
     <scores>(n,elastic)</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="240">
-    <filters>207 2</filters>
+  <tally id="255">
+    <filters>211 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="241">
-    <filters>207 2</filters>
+  <tally id="256">
+    <filters>211 2</filters>
     <nuclides>H1 O16 B10 B11</nuclides>
     <scores>(n,level)</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="242">
-    <filters>207 2</filters>
+  <tally id="257">
+    <filters>211 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="243">
-    <filters>207 2</filters>
+  <tally id="258">
+    <filters>211 2</filters>
     <nuclides>H1 O16 B10 B11</nuclides>
     <scores>(n,2n)</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="244">
-    <filters>207 2</filters>
+  <tally id="259">
+    <filters>211 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="245">
-    <filters>207 2</filters>
+  <tally id="260">
+    <filters>211 2</filters>
     <nuclides>H1 O16 B10 B11</nuclides>
     <scores>(n,na)</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="246">
-    <filters>207 2</filters>
+  <tally id="261">
+    <filters>211 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="247">
-    <filters>207 2</filters>
+  <tally id="262">
+    <filters>211 2</filters>
     <nuclides>H1 O16 B10 B11</nuclides>
     <scores>(n,nc)</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="248">
-    <filters>207 2</filters>
+  <tally id="263">
+    <filters>211 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="249">
-    <filters>207 2</filters>
+  <tally id="264">
+    <filters>211 2</filters>
     <nuclides>H1 O16 B10 B11</nuclides>
     <scores>(n,gamma)</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="250">
-    <filters>207 2</filters>
+  <tally id="265">
+    <filters>211 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="251">
-    <filters>207 2</filters>
+  <tally id="266">
+    <filters>211 2</filters>
     <nuclides>H1 O16 B10 B11</nuclides>
     <scores>(n,a)</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="252">
-    <filters>207 2</filters>
+  <tally id="267">
+    <filters>211 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="253">
-    <filters>207 2</filters>
+  <tally id="268">
+    <filters>211 2</filters>
     <nuclides>H1 O16 B10 B11</nuclides>
     <scores>(n,Xa)</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="254">
-    <filters>207 2</filters>
+  <tally id="269">
+    <filters>211 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="255">
-    <filters>207 2</filters>
+  <tally id="270">
+    <filters>211 2</filters>
     <nuclides>H1 O16 B10 B11</nuclides>
     <scores>heating</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="256">
-    <filters>207 2</filters>
+  <tally id="271">
+    <filters>211 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="257">
-    <filters>207 2</filters>
+  <tally id="272">
+    <filters>211 2</filters>
     <nuclides>H1 O16 B10 B11</nuclides>
     <scores>damage-energy</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="258">
-    <filters>207 2</filters>
+  <tally id="273">
+    <filters>211 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="259">
-    <filters>207 2</filters>
+  <tally id="274">
+    <filters>211 2</filters>
     <nuclides>H1 O16 B10 B11</nuclides>
     <scores>(n,n1)</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="260">
-    <filters>207 2</filters>
+  <tally id="275">
+    <filters>211 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="261">
-    <filters>207 2</filters>
+  <tally id="276">
+    <filters>211 2</filters>
     <nuclides>H1 O16 B10 B11</nuclides>
     <scores>(n,a0)</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="262">
-    <filters>207 2</filters>
+  <tally id="277">
+    <filters>211 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="263">
-    <filters>207 2 5</filters>
+  <tally id="278">
+    <filters>211 2 5</filters>
     <nuclides>H1 O16 B10 B11</nuclides>
     <scores>(n,nc)</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="264">
-    <filters>207 2</filters>
+  <tally id="279">
+    <filters>211 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="265">
-    <filters>207 2 5</filters>
+  <tally id="280">
+    <filters>211 2 5</filters>
     <nuclides>H1 O16 B10 B11</nuclides>
     <scores>(n,n1)</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="266">
-    <filters>207 2</filters>
+  <tally id="281">
+    <filters>211 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="267">
-    <filters>207 2 5</filters>
+  <tally id="282">
+    <filters>211 2 5</filters>
     <nuclides>H1 O16 B10 B11</nuclides>
     <scores>(n,2n)</scores>
     <estimator>analog</estimator>
diff --git a/tests/regression_tests/mgxs_library_nuclides/results_true.dat b/tests/regression_tests/mgxs_library_nuclides/results_true.dat
index c0084547b..7825aba3f 100644
--- a/tests/regression_tests/mgxs_library_nuclides/results_true.dat
+++ b/tests/regression_tests/mgxs_library_nuclides/results_true.dat
@@ -1 +1 @@
-d36f8abb1131212063470d622dbedeae31602da71006389421bd5dba712c94fe96acbc8ded833cb237687fb1071c1a6c3e0ec67b18ce7cf0f7720451b86d993a
\ No newline at end of file
+93ad567f1b36461a68d4ead0ff5cfa4a2003b05cf5241a232544545001a94a33fc7b99f21af277ea3a24861d38aac3a9ac36c8b1706c4b3b33caec589df2c90c
\ No newline at end of file

From 65624df58da7a2cf63cc4dcc6299ef0add974e15 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Wed, 3 Aug 2022 12:30:02 -0500
Subject: [PATCH 0738/2654] add chain_file, dilute_initial parameters to
 MicroXS.from_model

---
 docs/source/usersguide/depletion.rst          |   6 +-
 openmc/deplete/microxs.py                     |  84 +++++++++++++++---
 tests/micro_xs_simple.csv                     |  18 ++--
 .../test_reference_fission_q.h5               | Bin 35688 -> 36312 bytes
 .../test_reference_source_rate.h5             | Bin 35688 -> 36312 bytes
 tests/regression_tests/microxs/test.py        |   8 +-
 .../microxs/test_reference.csv                |  20 +++--
 7 files changed, 107 insertions(+), 29 deletions(-)

diff --git a/docs/source/usersguide/depletion.rst b/docs/source/usersguide/depletion.rst
index 29bbcd1ed..821ff338b 100644
--- a/docs/source/usersguide/depletion.rst
+++ b/docs/source/usersguide/depletion.rst
@@ -216,7 +216,7 @@ and a path to a depletion chain file::
     materials = openmc.Materials()
     ...
 
-    micro_xs = openmc.deplete.MicroXS()
+    micro_xs = openmc.deplete.MicroXS
     ...
 
     op = openmc.deplete.IndependentOperator(materials, micro_xs, chain_file)
@@ -267,7 +267,9 @@ Users can generate the one-group microscopic cross sections needed by
 
     model = openmc.Model.from_xml()
 
-    micro_xs = openmc.deplete.MicroXS.from_model(model, model.materials[0])
+    micro_xs = openmc.deplete.MicroXS.from_model(model,
+                                                 model.materials[0],
+                                                 chain_file)
 
 The :meth:`~openmc.deplete.MicroXS.from_model()` method will produce a
 :class:`~openmc.deplete.MicroXS` object with microscopic cross section data in
diff --git a/openmc/deplete/microxs.py b/openmc/deplete/microxs.py
index 89ad5e03c..09de090bf 100644
--- a/openmc/deplete/microxs.py
+++ b/openmc/deplete/microxs.py
@@ -8,13 +8,16 @@ import tempfile
 from pathlib import Path
 
 from pandas import DataFrame, read_csv, concat
-from numpy import ndarray
+import numpy as np
 
 from openmc.checkvalue import check_type, check_value, check_iterable_type
 from openmc.mgxs import EnergyGroups, ArbitraryXS, FissionXS
-from openmc import Tallies, StatePoint
+from openmc.data import DataLibrary
+from openmc import Tallies, StatePoint, Materials
 
-from .chain import REACTIONS
+
+from .chain import Chain, REACTIONS
+from .coupled_operator import _find_cross_sections
 
 _valid_rxns = list(REACTIONS)
 _valid_rxns.append('fission')
@@ -29,13 +32,8 @@ class MicroXS(DataFrame):
     def from_model(cls,
                    model,
                    reaction_domain,
-                   reactions=['(n,gamma)',
-                              '(n,2n)',
-                              '(n,p)',
-                              '(n,a)',
-                              '(n,3n)',
-                              '(n,4n)',
-                              'fission'],
+                   chain_file,
+                   dilute_initial=1.0e3,
                    energy_bounds=(0, 20e6)):
         """Generate a one-group cross-section dataframe using
         OpenMC. Note that the ``openmc`` executable must be compiled.
@@ -46,6 +44,14 @@ class MicroXS(DataFrame):
             OpenMC model object. Must contain geometry, materials, and settings.
         reaction_domain : openmc.Material or openmc.Cell or openmc.Universe or openmc.RegularMesh
             Domain in which to tally reaction rates.
+        chain_file : str
+            Path to the depletion chain XML file that will be used in depletion
+            simulation. Used to determine cross sections for materials not
+            present in the inital composition.
+        dilute_initial : float
+            Initial atom density [atoms/cm^3] to add for nuclides that
+            are zero in initial condition to ensure they exist in the cross
+            section data. Only done for nuclides with reaction rates.
         reactions : list of str, optional
             Reaction names to tally
         energy_bound : 2-tuple of float, optional
@@ -63,6 +69,12 @@ class MicroXS(DataFrame):
         original_tallies = model.tallies
         tallies = Tallies()
         xs = {}
+        reactions, diluted_materials = cls._add_dilute_nuclides(chain_file,
+                                                                model,
+                                                                dilute_initial)
+        diluted_materials.export_to_xml('diluted_materials.xml')
+        model.materials = diluted_materials
+
         for rxn in reactions:
             if rxn == 'fission':
                 xs[rxn] = FissionXS(domain=reaction_domain, groups=groups, by_nuclide=True)
@@ -94,6 +106,56 @@ class MicroXS(DataFrame):
 
         return micro_xs
 
+    @classmethod
+    def _add_dilute_nuclides(cls, chain_file, model, dilute_initial):
+        chain = Chain.from_xml(chain_file)
+        reactions = chain.reactions
+        cross_sections = _find_cross_sections(model)
+        nuclides_with_data = cls._get_nuclides_with_data(cross_sections)
+        burnable_nucs = [nuc.name for nuc in chain.nuclides
+                               if nuc.name in nuclides_with_data]
+        diluted_materials = Materials()
+        for material in model.materials:
+            if material.depletable:
+                nuc_densities = material.get_nuclide_atom_densities()
+                dilute_density = 1.E-24 * dilute_initial
+                material.set_density('sum')
+                for nuc, density in nuc_densities.items():
+                    material.remove_nuclide(nuc)
+                    material.add_nuclide(nuc, density)
+                for burn_nuc in burnable_nucs:
+                    if burn_nuc not in nuc_densities:
+                        material.add_nuclide(burn_nuc,
+                                             dilute_density)
+            diluted_materials.append(material)
+        return reactions, diluted_materials
+
+    @staticmethod
+    def _get_nuclides_with_data(cross_sections):
+        """Loads cross_sections.xml file to find nuclides with neutron data
+
+        Parameters
+        ----------
+        cross_sections : str
+            Path to cross_sections.xml file
+
+        Returns
+        -------
+        nuclides : set of str
+            Set of nuclide names that have cross secton data
+
+        """
+        nuclides = set()
+        data_lib = DataLibrary.from_xml(cross_sections)
+        for library in data_lib.libraries:
+            if library['type'] != 'neutron':
+                continue
+            for name in library['materials']:
+                if name not in nuclides:
+                    nuclides.add(name)
+
+        return nuclides
+
     @classmethod
     def from_array(cls, nuclides, reactions, data):
         """
@@ -162,6 +224,6 @@ class MicroXS(DataFrame):
     def _validate_micro_xs_inputs(nuclides, reactions, data):
         check_iterable_type('nuclides', nuclides, str)
         check_iterable_type('reactions', reactions, str)
-        check_type('data', data, ndarray, expected_iter_type=float)
+        check_type('data', data, np.ndarray, expected_iter_type=float)
         for reaction in reactions:
             check_value('reactions', reaction, _valid_rxns)
diff --git a/tests/micro_xs_simple.csv b/tests/micro_xs_simple.csv
index bc43600ba..787ce74c3 100644
--- a/tests/micro_xs_simple.csv
+++ b/tests/micro_xs_simple.csv
@@ -1,7 +1,13 @@
 nuclide,"(n,gamma)",fission
-U234,23.518634203050645,0.49531930067650976
-U235,10.621118186344665,49.10955932965905
-U238,0.8652742788116043,0.10579281644765708
-U236,9.095623870006154,0.32315392339237936
-O16,0.0029535689693132015,0.0
-O17,0.05980775766572907,0.0
+U234,22.231989822002465,0.49620744663749855
+U235,10.479008971197121,48.41787337164604
+U238,0.8673334105437324,0.10467880588762352
+U236,8.65171044607122,0.31948392400019293
+O16,7.497851000107524e-05,0.0
+O17,0.0004079227797153371,0.0
+I135,6.842395323713927,0.0
+Xe135,227463.86426990604,0.0
+Xe136,0.02317896034753588,0.0
+Cs135,2.1721665580713623,0.0
+Gd157,12786.09939237018,0.0
+Gd156,3.4006085445846983,0.0
diff --git a/tests/regression_tests/deplete_no_transport/test_reference_fission_q.h5 b/tests/regression_tests/deplete_no_transport/test_reference_fission_q.h5
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diff --git a/tests/regression_tests/deplete_no_transport/test_reference_source_rate.h5 b/tests/regression_tests/deplete_no_transport/test_reference_source_rate.h5
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zKKr6u)2^wp?f1Sjx1n6{aWrt{LEmp>J#&FuTtuF-*5-TmKlA<ifAg8)u~F`h(v1HC
DX+Va)

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zQ%_WMagcL`VA{t)!DoWJz~ii&Ahd;$TMuMhM0L1fb=L?;yUE$C?AZh-x?$CPLN0J1
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z{Pyb=(eruR+U3bUG4t6{{Db&&Vzl+*ckLZ(qJOr$ZS-D$_;_@9<@dXn!~d6FqUpzJ
X`lt2u#emio+?X}PHy`p_Ds}t|vOiXw

diff --git a/tests/regression_tests/microxs/test.py b/tests/regression_tests/microxs/test.py
index 89fdfcaeb..dbfe3357b 100644
--- a/tests/regression_tests/microxs/test.py
+++ b/tests/regression_tests/microxs/test.py
@@ -1,10 +1,14 @@
 """Test one-group cross section generation"""
+from pathlib import Path
+
 import numpy as np
 import pytest
 import openmc
 
 from openmc.deplete import MicroXS
 
+CHAIN_FILE = Path(__file__).parents[2] / "chain_simple.xml"
+
 @pytest.fixture(scope="module")
 def model():
     fuel = openmc.Material(name="uo2")
@@ -24,8 +28,6 @@ def model():
 
     radii = [0.42, 0.45]
     fuel.volume = np.pi * radii[0] ** 2
-    clad.volume = np.pi * (radii[1]**2 - radii[0]**2)
-    water.volume = 1.24**2 - (np.pi * radii[1]**2)
 
     materials = openmc.Materials([fuel, clad, water])
 
@@ -45,6 +47,6 @@ def model():
 
 def test_from_model(model):
     ref_xs = MicroXS.from_csv('test_reference.csv')
-    test_xs = MicroXS.from_model(model, model.materials[0])
+    test_xs = MicroXS.from_model(model, model.materials[0], CHAIN_FILE)
 
     np.testing.assert_allclose(test_xs, ref_xs, rtol=1e-11)
diff --git a/tests/regression_tests/microxs/test_reference.csv b/tests/regression_tests/microxs/test_reference.csv
index 0c47409b0..787ce74c3 100644
--- a/tests/regression_tests/microxs/test_reference.csv
+++ b/tests/regression_tests/microxs/test_reference.csv
@@ -1,7 +1,13 @@
-nuclide,"(n,gamma)","(n,2n)","(n,p)","(n,a)","(n,3n)","(n,4n)",fission
-U234,23.518634203050674,0.0008255330840536984,0.0,0.0,9.404554397521455e-07,0.0,0.49531930067650964
-U235,10.621118186344795,0.004359401013759254,0.0,0.0,7.2974901306692395e-06,0.0,49.10955932965902
-U238,0.8652742788116055,0.005661917442209096,0.0,0.0,4.92273921631416e-05,0.0,0.10579281644765708
-U236,9.095623870006163,0.0024373322002926834,0.0,0.0,1.966889146690413e-05,0.0,0.3231539233923791
-O16,7.511380881289377e-05,0.0,1.3764104470470622e-05,0.002862620940027927,0.0,0.0,0.0
-O17,0.00041221042693945085,1.9826700699084533e-05,7.764409141772239e-06,0.05938517754333328,0.0,0.0,0.0
+nuclide,"(n,gamma)",fission
+U234,22.231989822002465,0.49620744663749855
+U235,10.479008971197121,48.41787337164604
+U238,0.8673334105437324,0.10467880588762352
+U236,8.65171044607122,0.31948392400019293
+O16,7.497851000107524e-05,0.0
+O17,0.0004079227797153371,0.0
+I135,6.842395323713927,0.0
+Xe135,227463.86426990604,0.0
+Xe136,0.02317896034753588,0.0
+Cs135,2.1721665580713623,0.0
+Gd157,12786.09939237018,0.0
+Gd156,3.4006085445846983,0.0

From cbb0ee9964b081d8a4686fceaa265a550036d693 Mon Sep 17 00:00:00 2001
From: Olek <45364492+yardasol@users.noreply.github.com>
Date: Wed, 3 Aug 2022 16:45:25 -0500
Subject: [PATCH 0739/2654] Apply suggestions from code review

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/deplete/microxs.py | 5 ++---
 1 file changed, 2 insertions(+), 3 deletions(-)

diff --git a/openmc/deplete/microxs.py b/openmc/deplete/microxs.py
index 09de090bf..75058fce0 100644
--- a/openmc/deplete/microxs.py
+++ b/openmc/deplete/microxs.py
@@ -72,7 +72,6 @@ class MicroXS(DataFrame):
         reactions, diluted_materials = cls._add_dilute_nuclides(chain_file,
                                                                 model,
                                                                 dilute_initial)
-        diluted_materials.export_to_xml('diluted_materials.xml')
         model.materials = diluted_materials
 
         for rxn in reactions:
@@ -113,12 +112,12 @@ class MicroXS(DataFrame):
         cross_sections = _find_cross_sections(model)
         nuclides_with_data = cls._get_nuclides_with_data(cross_sections)
         burnable_nucs = [nuc.name for nuc in chain.nuclides
-                               if nuc.name in nuclides_with_data]
+                         if nuc.name in nuclides_with_data]
         diluted_materials = Materials()
         for material in model.materials:
             if material.depletable:
                 nuc_densities = material.get_nuclide_atom_densities()
-                dilute_density = 1.E-24 * dilute_initial
+                dilute_density = 1.e-24 * dilute_initial
                 material.set_density('sum')
                 for nuc, density in nuc_densities.items():
                     material.remove_nuclide(nuc)

From 98c707ea07736578a7f4080f2bbbbcab3df3b7a6 Mon Sep 17 00:00:00 2001
From: shimwell <mail@jshimwell.com>
Date: Wed, 3 Aug 2022 22:46:50 +0100
Subject: [PATCH 0740/2654] refactor activities to single method

---
 openmc/material.py                | 87 ++++++++++++++++---------------
 tests/unit_tests/test_material.py | 25 ++++++---
 2 files changed, 61 insertions(+), 51 deletions(-)

diff --git a/openmc/material.py b/openmc/material.py
index 57f9a6f86..05b69287d 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -91,13 +91,6 @@ class Material(IDManagerMixin):
     fissionable_mass : float
         Mass of fissionable nuclides in the material in [g]. Requires that the
         :attr:`volume` attribute is set.
-    activity : float
-        Activity of the material in [Bq]. Requires that the :attr:`volume`
-        attribute is set.
-    specific_activity : float
-        Activity of the material per unit mass in [Bq/kg]. Requires that the
-        :attr:`volume` and :attr:`density` attributes are set.
-
     """
 
     next_id = 1
@@ -153,16 +146,6 @@ class Material(IDManagerMixin):
 
         return string
 
-    @property
-    def activity(self):
-        """Returns the total activity of the material in Becquerels."""
-        return sum(self.get_nuclide_activity().values())
-
-    @property
-    def specific_activity(self):
-        """Returns the total specific activity of the material in Becquerels per gram."""
-        return sum(self.get_nuclide_specific_activity().values())
-
     @property
     def name(self):
         return self._name
@@ -916,39 +899,57 @@ class Material(IDManagerMixin):
 
         return nuclides
 
-    def get_nuclide_activity(self):
-        """Return activity in [Bq] for each nuclide in the material
+    def get_activity(self, normalization: str = 'total', by_nuclide: bool = False):
+        """Returns the activity of the material or for each nuclide in the
+        material in units of [Bq], [Bq/g] or [Bq/cc].
 
         .. versionadded:: 0.13.1
 
-        Returns
-        -------
-        dict
-            Dictionary whose keys are nuclide names and values are activity in
-            [Bq].
-        """
-        activity = {}
-        for nuclide, atoms in self.get_nuclide_atoms().items():
-            inv_seconds = openmc.data.decay_constant(nuclide)
-            activity[nuclide] = inv_seconds * atoms
-        return activity
-
-    def get_nuclide_specific_activity(self):
-        """Return specific activity in [Bq/g] for each nuclide in the material
-
-        .. versionadded:: 0.13.1
+        Parameters
+        ----------
+        normalization : {'total', 'mass', 'volume'}
+            Specifies the type of activity to return, 'total' will return the
+            material activity in [Bq], 'mass' returns the materials specific
+            activity in [Bq/g] and 'volume' returns the activity in [Bq/cc].
+        by_nuclide : bool
+            Specifies if the activity should be returned for the material as a
+            whole or per nuclide.
 
         Returns
         -------
-        dict
-            Dictionary whose keys are nuclide names and values are specific
-            activity in [Bq/g].
+
+        Union[dict, float]
+            If by_nuclide is True then a dictionary whose keys are nuclide 
+            names and values are activity is returned. Otherwise the activity
+            of the material is returned as a float.
         """
-        activity = {}
-        for nuclide, atoms in self.get_nuclide_atom_densities().items():
-            inv_seconds = openmc.data.decay_constant(nuclide)
-            activity[nuclide] = (inv_seconds * atoms * 1.0e24) / self.density
-        return activity
+
+        cv.check_value('normalization', normalization, {'total', 'mass', 'volume'})
+        cv.check_type('by_nuclide', by_nuclide, bool)
+        
+        if normalization=='total':
+            activity = {}
+            for nuclide, atoms in self.get_nuclide_atoms().items():
+                inv_seconds = openmc.data.decay_constant(nuclide)
+                activity[nuclide] = inv_seconds * atoms
+
+        elif normalization=='mass':
+            activity = {}
+            for nuclide, atoms in self.get_nuclide_atom_densities().items():
+                inv_seconds = openmc.data.decay_constant(nuclide)
+                activity[nuclide] = (inv_seconds * atoms * 1.0e24) / self.density
+        # normalization must be volume by this stage so else can be used
+        else:
+            activity = {}
+            for nuclide, atoms in self.get_nuclide_atom_densities().items():
+                inv_seconds = openmc.data.decay_constant(nuclide)
+                activity[nuclide] = (inv_seconds * atoms * 1.0e24) / self.volume
+
+        if by_nuclide:
+            return activity
+        else:
+            return sum(activity.values())
+
 
     def get_nuclide_atoms(self):
         """Return number of atoms of each nuclide in the material
diff --git a/tests/unit_tests/test_material.py b/tests/unit_tests/test_material.py
index fd9f325f2..763325ac9 100644
--- a/tests/unit_tests/test_material.py
+++ b/tests/unit_tests/test_material.py
@@ -477,7 +477,7 @@ def test_activity_of_stable():
     m1.add_element("Fe", 1)
     m1.set_density('g/cm3', 1)
     m1.volume = 1
-    assert m1.activity == 0
+    assert m1.get_activity() == 0
 
 
 def test_activity_of_tritium():
@@ -486,11 +486,11 @@ def test_activity_of_tritium():
     m1.add_nuclide("H3", 1)
     m1.set_density('g/cm3', 1)
     m1.volume = 1
-    assert pytest.approx(m1.activity) == 3.559778e14
+    assert pytest.approx(m1.get_activity()) == 3.559778e14
     m1.set_density('g/cm3', 2)
-    assert pytest.approx(m1.activity) == 3.559778e14*2
+    assert pytest.approx(m1.get_activity()) == 3.559778e14*2
     m1.volume = 3
-    assert pytest.approx(m1.activity) == 3.559778e14*2*3
+    assert pytest.approx(m1.get_activity()) == 3.559778e14*2*3
 
 
 def test_activity_of_metastable():
@@ -499,13 +499,22 @@ def test_activity_of_metastable():
     m1.add_nuclide("Tc99_m1", 1)
     m1.set_density('g/cm3', 1)
     m1.volume = 98.9
-    assert pytest.approx(m1.activity, rel=0.001) == 1.93e19
+    assert pytest.approx(m1.get_activity(), rel=0.001) == 1.93e19
 
 
 def test_specific_activity_of_tritium():
-    """Checks that specific activity of tritium is correct"""
+    """Checks that specific and volumetric activity of tritium are correct"""
     m1 = openmc.Material()
     m1.add_nuclide("H3", 1)
     m1.set_density('g/cm3', 1)
-    assert m1.specific_activity == 355978108155965.9
-    assert m1.get_nuclide_specific_activity() == {"H3": 355978108155965.9}
\ No newline at end of file
+    assert m1.get_activity(normalization='mass') == 355978108155965.9  # [Bq/g]
+    assert m1.get_activity(normalization='mass', by_nuclide=True) == {
+        "H3": 355978108155965.9  # [Bq/g]
+    }
+    # volume is required to calculate total and volumetric activity
+    m1.volume = 10.
+    assert m1.get_activity(normalization='total') == 355978108155965.9*10. # [Bq]
+    assert m1.get_activity(normalization='volume') == 355978108155965.9/10. # [Bq/cc]
+    assert m1.get_activity(normalization='volume', by_nuclide=True) == {
+        "H3": 355978108155965.9/10. # [Bq/cc]
+    }

From 15f66ed50af45b140cceb7d20070d8e9968a3a20 Mon Sep 17 00:00:00 2001
From: Olek <45364492+yardasol@users.noreply.github.com>
Date: Wed, 3 Aug 2022 17:46:26 -0500
Subject: [PATCH 0741/2654] Minor styling fix in `Material.py`

change `E` to `e` for scientific notation.
---
 openmc/material.py | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/openmc/material.py b/openmc/material.py
index 6c2641680..913d53d9d 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -861,7 +861,7 @@ class Material(IDManagerMixin):
         elif self.density_units == 'atom/b-cm':
             density = self.density
         elif self.density_units == 'atom/cm3' or self.density_units == 'atom/cc':
-            density = 1.E-24 * self.density
+            density = 1.e-24 * self.density
 
         # For ease of processing split out nuc, nuc_density,
         # and nuc_density_type into separate arrays
@@ -897,7 +897,7 @@ class Material(IDManagerMixin):
 
         # Convert the mass density to an atom density
         if not density_in_atom:
-            density = -density / self.average_molar_mass * 1.E-24 \
+            density = -density / self.average_molar_mass * 1.e-24 \
                       * openmc.data.AVOGADRO
 
         nuc_densities = density * nuc_densities

From c900e4784e68b3ea833e3b60fe80d3cc345f33eb Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <drshimwell@gmail.com>
Date: Thu, 4 Aug 2022 07:55:35 +0100
Subject: [PATCH 0742/2654] Corrections to activity calcs

Co-authored-by: Ethan Peterson <ethan.peterson@mit.edu>
---
 openmc/material.py | 24 ++++++++----------------
 1 file changed, 8 insertions(+), 16 deletions(-)

diff --git a/openmc/material.py b/openmc/material.py
index 05b69287d..48684ed67 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -927,23 +927,15 @@ class Material(IDManagerMixin):
         cv.check_value('normalization', normalization, {'total', 'mass', 'volume'})
         cv.check_type('by_nuclide', by_nuclide, bool)
         
-        if normalization=='total':
-            activity = {}
-            for nuclide, atoms in self.get_nuclide_atoms().items():
-                inv_seconds = openmc.data.decay_constant(nuclide)
-                activity[nuclide] = inv_seconds * atoms
-
-        elif normalization=='mass':
-            activity = {}
-            for nuclide, atoms in self.get_nuclide_atom_densities().items():
-                inv_seconds = openmc.data.decay_constant(nuclide)
-                activity[nuclide] = (inv_seconds * atoms * 1.0e24) / self.density
-        # normalization must be volume by this stage so else can be used
+        if normalization == 'total':
+            multiplier = self.volume
         else:
-            activity = {}
-            for nuclide, atoms in self.get_nuclide_atom_densities().items():
-                inv_seconds = openmc.data.decay_constant(nuclide)
-                activity[nuclide] = (inv_seconds * atoms * 1.0e24) / self.volume
+            multiplier = 1 if normalization == 'volume' else 1.0 / self.get_mass_density()
+            
+        activity = {}
+        for nuclide, atoms_per_bcm in self.get_nuclide_atom_densities().items():
+            inv_seconds = openmc.data.decay_constant(nuclide)
+            activity[nuclide] = inv_seconds * 1e24 * atoms_per_bcm * multiplier
 
         if by_nuclide:
             return activity

From e4d54d49a8f92aa5b90bfd2b814b6bcc751c3541 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Thu, 4 Aug 2022 09:39:14 +0100
Subject: [PATCH 0743/2654] moved volume lower

---
 tests/unit_tests/test_material.py | 14 +++++++-------
 1 file changed, 7 insertions(+), 7 deletions(-)

diff --git a/tests/unit_tests/test_material.py b/tests/unit_tests/test_material.py
index 763325ac9..24887d8a6 100644
--- a/tests/unit_tests/test_material.py
+++ b/tests/unit_tests/test_material.py
@@ -507,14 +507,14 @@ def test_specific_activity_of_tritium():
     m1 = openmc.Material()
     m1.add_nuclide("H3", 1)
     m1.set_density('g/cm3', 1)
-    assert m1.get_activity(normalization='mass') == 355978108155965.9  # [Bq/g]
+    assert m1.get_activity(normalization='mass') == 355978108155966.0  # [Bq/g]
     assert m1.get_activity(normalization='mass', by_nuclide=True) == {
-        "H3": 355978108155965.9  # [Bq/g]
+        "H3": 355978108155966.0  # [Bq/g]
     }
-    # volume is required to calculate total and volumetric activity
-    m1.volume = 10.
-    assert m1.get_activity(normalization='total') == 355978108155965.9*10. # [Bq]
-    assert m1.get_activity(normalization='volume') == 355978108155965.9/10. # [Bq/cc]
+    assert m1.get_activity(normalization='volume') == 355978108155965.94 # [Bq/cc]
     assert m1.get_activity(normalization='volume', by_nuclide=True) == {
-        "H3": 355978108155965.9/10. # [Bq/cc]
+        "H3": 355978108155965.94 # [Bq/cc]
     }
+    # volume is required to calculate total activity
+    m1.volume = 10.
+    assert m1.get_activity(normalization='total') == 3559781081559659.5 # [Bq]

From 13c83a1c005eab8e2ea38cdce46c2f798cee59d1 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 4 Aug 2022 08:54:20 -0500
Subject: [PATCH 0744/2654] Bump up number of samples in
 test_combine_distributions

---
 tests/unit_tests/test_stats.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/tests/unit_tests/test_stats.py b/tests/unit_tests/test_stats.py
index 1cfcf00c3..b8bb94f37 100644
--- a/tests/unit_tests/test_stats.py
+++ b/tests/unit_tests/test_stats.py
@@ -436,5 +436,5 @@ def test_combine_distributions():
 
     # Sample the combined distribution and make sure the sample mean is within
     # uncertainty of the expected value
-    samples = combined.sample(10)
+    samples = combined.sample(1000)
     assert_sample_mean(samples, 0.25)

From c036403c984067946542e97cbdbe488687b6b706 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <drshimwell@gmail.com>
Date: Thu, 4 Aug 2022 14:55:45 +0100
Subject: [PATCH 0745/2654] simpler if else statement for normalization

Co-authored-by: Patrick Shriwise <pshriwise@gmail.com>
---
 openmc/material.py | 6 ++++--
 1 file changed, 4 insertions(+), 2 deletions(-)

diff --git a/openmc/material.py b/openmc/material.py
index 48684ed67..965c9d5c8 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -929,8 +929,10 @@ class Material(IDManagerMixin):
         
         if normalization == 'total':
             multiplier = self.volume
-        else:
-            multiplier = 1 if normalization == 'volume' else 1.0 / self.get_mass_density()
+        elif normalization == 'volume':
+            multiplier = 1
+        elif normalization == 'mass':
+            multiplier = 1.0 / self.get_mass_density()
             
         activity = {}
         for nuclide, atoms_per_bcm in self.get_nuclide_atom_densities().items():

From 8164f309e9d61479fd65759da46c6e8b22715eef Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Thu, 4 Aug 2022 15:37:01 +0100
Subject: [PATCH 0746/2654] added pre volume attribute tests for stable nuclide

---
 tests/unit_tests/test_material.py | 13 ++++++++-----
 1 file changed, 8 insertions(+), 5 deletions(-)

diff --git a/tests/unit_tests/test_material.py b/tests/unit_tests/test_material.py
index 24887d8a6..ddb1bfcf2 100644
--- a/tests/unit_tests/test_material.py
+++ b/tests/unit_tests/test_material.py
@@ -471,16 +471,19 @@ def test_mix_materials():
     assert m5.density == pytest.approx(dens5)
 
 
-def test_activity_of_stable():
+def test_get_activity_of_stable_nuclides():
     """Creates a material with stable isotopes to checks the activity is 0"""
     m1 = openmc.Material()
     m1.add_element("Fe", 1)
-    m1.set_density('g/cm3', 1)
+    m1.set_density('g/cm3', 1.5)
+    # activity in Bq/cc and Bq/g should not require volume setting
+    assert m1.get_activity(normalization='volume') == 0
+    assert m1.get_activity(normalization='mass') == 0
     m1.volume = 1
     assert m1.get_activity() == 0
 
 
-def test_activity_of_tritium():
+def test_get_activity_of_tritium():
     """Checks that 1g of tritium has the correct activity scaling"""
     m1 = openmc.Material()
     m1.add_nuclide("H3", 1)
@@ -493,7 +496,7 @@ def test_activity_of_tritium():
     assert pytest.approx(m1.get_activity()) == 3.559778e14*2*3
 
 
-def test_activity_of_metastable():
+def test_get_activity_of_metastable():
     """Checks that 1 mol of a Tc99_m1 nuclides has the correct activity"""
     m1 = openmc.Material()
     m1.add_nuclide("Tc99_m1", 1)
@@ -502,7 +505,7 @@ def test_activity_of_metastable():
     assert pytest.approx(m1.get_activity(), rel=0.001) == 1.93e19
 
 
-def test_specific_activity_of_tritium():
+def test_get_activity_of_tritium_nuclides():
     """Checks that specific and volumetric activity of tritium are correct"""
     m1 = openmc.Material()
     m1.add_nuclide("H3", 1)

From a30f9b88fd79400c8bbc65de3902d3ddce8e838d Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Thu, 4 Aug 2022 15:49:11 +0100
Subject: [PATCH 0747/2654] combined activity unit tests as suggested
 @eepeterson

---
 tests/unit_tests/test_material.py | 67 +++++++++++++++----------------
 1 file changed, 32 insertions(+), 35 deletions(-)

diff --git a/tests/unit_tests/test_material.py b/tests/unit_tests/test_material.py
index ddb1bfcf2..432cf3a03 100644
--- a/tests/unit_tests/test_material.py
+++ b/tests/unit_tests/test_material.py
@@ -471,10 +471,13 @@ def test_mix_materials():
     assert m5.density == pytest.approx(dens5)
 
 
-def test_get_activity_of_stable_nuclides():
-    """Creates a material with stable isotopes to checks the activity is 0"""
+def test_get_activity():
+    """Tests the activity of stable, metastable and active materials"""
+
+    # Creates a material with stable isotopes to checks the activity is 0
     m1 = openmc.Material()
-    m1.add_element("Fe", 1)
+    m1.add_element("Fe", 0.7)
+    m1.add_element("Li", 0.3)
     m1.set_density('g/cm3', 1.5)
     # activity in Bq/cc and Bq/g should not require volume setting
     assert m1.get_activity(normalization='volume') == 0
@@ -482,42 +485,36 @@ def test_get_activity_of_stable_nuclides():
     m1.volume = 1
     assert m1.get_activity() == 0
 
+    # Checks that 1g of tritium has the correct activity scaling
+    m2 = openmc.Material()
+    m2.add_nuclide("H3", 1)
+    m2.set_density('g/cm3', 1)
+    m2.volume = 1
+    assert pytest.approx(m2.get_activity()) == 3.559778e14
+    m2.set_density('g/cm3', 2)
+    assert pytest.approx(m2.get_activity()) == 3.559778e14*2
+    m2.volume = 3
+    assert pytest.approx(m2.get_activity()) == 3.559778e14*2*3
 
-def test_get_activity_of_tritium():
-    """Checks that 1g of tritium has the correct activity scaling"""
-    m1 = openmc.Material()
-    m1.add_nuclide("H3", 1)
-    m1.set_density('g/cm3', 1)
-    m1.volume = 1
-    assert pytest.approx(m1.get_activity()) == 3.559778e14
-    m1.set_density('g/cm3', 2)
-    assert pytest.approx(m1.get_activity()) == 3.559778e14*2
-    m1.volume = 3
-    assert pytest.approx(m1.get_activity()) == 3.559778e14*2*3
+    # Checks that 1 mol of a metastable nuclides has the correct activity
+    m3 = openmc.Material()
+    m3.add_nuclide("Tc99_m1", 1)
+    m3.set_density('g/cm3', 1)
+    m3.volume = 98.9
+    assert pytest.approx(m3.get_activity(), rel=0.001) == 1.93e19
 
-
-def test_get_activity_of_metastable():
-    """Checks that 1 mol of a Tc99_m1 nuclides has the correct activity"""
-    m1 = openmc.Material()
-    m1.add_nuclide("Tc99_m1", 1)
-    m1.set_density('g/cm3', 1)
-    m1.volume = 98.9
-    assert pytest.approx(m1.get_activity(), rel=0.001) == 1.93e19
-
-
-def test_get_activity_of_tritium_nuclides():
-    """Checks that specific and volumetric activity of tritium are correct"""
-    m1 = openmc.Material()
-    m1.add_nuclide("H3", 1)
-    m1.set_density('g/cm3', 1)
-    assert m1.get_activity(normalization='mass') == 355978108155966.0  # [Bq/g]
-    assert m1.get_activity(normalization='mass', by_nuclide=True) == {
+    # Checks that specific and volumetric activity of tritium are correct
+    m4 = openmc.Material()
+    m4.add_nuclide("H3", 1)
+    m4.set_density('g/cm3', 1)
+    assert m4.get_activity(normalization='mass') == 355978108155966.0  # [Bq/g]
+    assert m4.get_activity(normalization='mass', by_nuclide=True) == {
         "H3": 355978108155966.0  # [Bq/g]
     }
-    assert m1.get_activity(normalization='volume') == 355978108155965.94 # [Bq/cc]
-    assert m1.get_activity(normalization='volume', by_nuclide=True) == {
+    assert m4.get_activity(normalization='volume') == 355978108155965.94 # [Bq/cc]
+    assert m4.get_activity(normalization='volume', by_nuclide=True) == {
         "H3": 355978108155965.94 # [Bq/cc]
     }
     # volume is required to calculate total activity
-    m1.volume = 10.
-    assert m1.get_activity(normalization='total') == 3559781081559659.5 # [Bq]
+    m4.volume = 10.
+    assert m4.get_activity(normalization='total') == 3559781081559659.5 # [Bq]

From 152a149488ddc9fae4612b828ca49f9cd27cb181 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <drshimwell@gmail.com>
Date: Thu, 4 Aug 2022 16:15:12 +0100
Subject: [PATCH 0748/2654] density set to 1.5 to test different activities
 scaling

Co-authored-by: Ethan Peterson <ethan.peterson@mit.edu>
---
 tests/unit_tests/test_material.py | 14 +++++++-------
 1 file changed, 7 insertions(+), 7 deletions(-)

diff --git a/tests/unit_tests/test_material.py b/tests/unit_tests/test_material.py
index 432cf3a03..5f567304b 100644
--- a/tests/unit_tests/test_material.py
+++ b/tests/unit_tests/test_material.py
@@ -474,7 +474,7 @@ def test_mix_materials():
 def test_get_activity():
     """Tests the activity of stable, metastable and active materials"""
 
-    # Creates a material with stable isotopes to checks the activity is 0
+    # Creates a material with stable isotopes to check the activity is 0
     m1 = openmc.Material()
     m1.add_element("Fe", 0.7)
     m1.add_element("Li", 0.3)
@@ -506,15 +506,15 @@ def test_get_activity():
     # Checks that specific and volumetric activity of tritium are correct
     m4 = openmc.Material()
     m4.add_nuclide("H3", 1)
-    m4.set_density('g/cm3', 1)
-    assert m4.get_activity(normalization='mass') == 355978108155966.0  # [Bq/g]
+    m4.set_density('g/cm3', 1.5)
+    assert m4.get_activity(normalization='mass') == 355978108155966.0*2/3  # [Bq/g]
     assert m4.get_activity(normalization='mass', by_nuclide=True) == {
-        "H3": 355978108155966.0  # [Bq/g]
+        "H3": 355978108155966.0*2/3  # [Bq/g]
     }
-    assert m4.get_activity(normalization='volume') == 355978108155965.94 # [Bq/cc]
+    assert m4.get_activity(normalization='volume') == 355978108155965.94*3/2 # [Bq/cc]
     assert m4.get_activity(normalization='volume', by_nuclide=True) == {
-        "H3": 355978108155965.94 # [Bq/cc]
+        "H3": 355978108155965.94*3/2 # [Bq/cc]
     }
     # volume is required to calculate total activity
     m4.volume = 10.
-    assert m4.get_activity(normalization='total') == 3559781081559659.5 # [Bq]
+    assert m4.get_activity(normalization='total') == 355978108155965.94*3/2*10 # [Bq]

From c3921b735fa7bc4ea4fc923467f542bf472a2427 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Wed, 3 Aug 2022 17:43:48 -0500
Subject: [PATCH 0749/2654] Changes from @paulromano's 6th round of comments -
 add more detail to `MicroXS` example in User's Guide - Cleanup the
 `from_model` method - Reduce repeated code between `MicroXS` and
 `CoupledOperator`

---
 docs/source/usersguide/depletion.rst |  4 +-
 openmc/deplete/coupled_operator.py   | 35 ++++++++++-----
 openmc/deplete/microxs.py            | 67 +++++++++++++++-------------
 3 files changed, 62 insertions(+), 44 deletions(-)

diff --git a/docs/source/usersguide/depletion.rst b/docs/source/usersguide/depletion.rst
index 821ff338b..29c8114d9 100644
--- a/docs/source/usersguide/depletion.rst
+++ b/docs/source/usersguide/depletion.rst
@@ -216,9 +216,7 @@ and a path to a depletion chain file::
     materials = openmc.Materials()
     ...
 
-    micro_xs = openmc.deplete.MicroXS
-    ...
-
+    micro_xs = openmc.deplete.MicroXS.from_csv(micro_xs_path)
     op = openmc.deplete.IndependentOperator(materials, micro_xs, chain_file)
 
 .. note::
diff --git a/openmc/deplete/coupled_operator.py b/openmc/deplete/coupled_operator.py
index d5bb5b4bd..eba90f60d 100644
--- a/openmc/deplete/coupled_operator.py
+++ b/openmc/deplete/coupled_operator.py
@@ -56,6 +56,30 @@ def _find_cross_sections(model):
         )
     return cross_sections
 
+def _get_nuclides_with_data(cross_sections):
+    """Loads cross_sections.xml file to find nuclides with neutron data
+
+    Parameters
+    ----------
+    cross_sections : str
+        Path to cross_sections.xml file
+
+    Returns
+    -------
+    nuclides : set of str
+        Set of nuclide names that have cross secton data
+
+    """
+    nuclides = set()
+    data_lib = DataLibrary.from_xml(cross_sections)
+    for library in data_lib.libraries:
+        if library['type'] != 'neutron':
+            continue
+        for name in library['materials']:
+            if name not in nuclides:
+                nuclides.add(name)
+
+    return nuclides
 
 class CoupledOperator(OpenMCOperator):
     """Transport-coupled transport operator.
@@ -310,16 +334,7 @@ class CoupledOperator(OpenMCOperator):
             Set of nuclide names that have cross secton data
 
         """
-        nuclides = set()
-        data_lib = DataLibrary.from_xml(cross_sections)
-        for library in data_lib.libraries:
-            if library['type'] != 'neutron':
-                continue
-            for name in library['materials']:
-                if name not in nuclides:
-                    nuclides.add(name)
-
-        return nuclides
+        return _get_nuclides_with_data(cross_sections)
 
     def _get_helper_classes(self, helper_kwargs):
         """Create the ``_rate_helper``, ``_normalization_helper``, and
diff --git a/openmc/deplete/microxs.py b/openmc/deplete/microxs.py
index 75058fce0..32e0518ff 100644
--- a/openmc/deplete/microxs.py
+++ b/openmc/deplete/microxs.py
@@ -6,6 +6,7 @@ nuclides names as row indices and reaction names as column indices.
 
 import tempfile
 from pathlib import Path
+from copy import deepcopy
 
 from pandas import DataFrame, read_csv, concat
 import numpy as np
@@ -13,11 +14,11 @@ import numpy as np
 from openmc.checkvalue import check_type, check_value, check_iterable_type
 from openmc.mgxs import EnergyGroups, ArbitraryXS, FissionXS
 from openmc.data import DataLibrary
-from openmc import Tallies, StatePoint, Materials
+from openmc import Tallies, StatePoint, Materials, Material
 
 
 from .chain import Chain, REACTIONS
-from .coupled_operator import _find_cross_sections
+from .coupled_operator import _find_cross_sections, _get_nuclides_with_data
 
 _valid_rxns = list(REACTIONS)
 _valid_rxns.append('fission')
@@ -67,6 +68,7 @@ class MicroXS(DataFrame):
 
         # Set up the reaction tallies
         original_tallies = model.tallies
+        original_materials = deepcopy(model.materials)
         tallies = Tallies()
         xs = {}
         reactions, diluted_materials = cls._add_dilute_nuclides(chain_file,
@@ -100,17 +102,45 @@ class MicroXS(DataFrame):
             df.rename({'mean': rxn}, axis=1, inplace=True)
             micro_xs = concat([micro_xs, df], axis=1)
 
-        # Revert to the original tallies
+        # Revert to the original tallies and materials
         model.tallies = original_tallies
+        model.materials = original_materials
 
         return micro_xs
 
     @classmethod
     def _add_dilute_nuclides(cls, chain_file, model, dilute_initial):
+        """
+        Add nuclides not present in burnable materials that have neutron data
+        and are present in the depletion chain to those materials. This allows
+        us to tally those specific nuclides for reactions to create one-group
+        cross sections.
+
+        Parameters
+        ----------
+        chain_file : str
+            Path to the depletion chain XML file that will be used in depletion
+            simulation. Used to determine cross sections for materials not
+            present in the inital composition.
+        model : openmc.Model
+            Model object
+        dilute_initial : float
+            Initial atom density [atoms/cm^3] to add for nuclides that
+            are zero in initial condition to ensure they exist in the cross
+            section data. Only done for nuclides with reaction rates.
+
+        Returns
+        -------
+        reactions : list of str
+            List of reaction names
+        diluted_materials : openmc.Materials
+            :class:`openmc.Materials` object with nuclides added to burnable
+            materials.
+        """
         chain = Chain.from_xml(chain_file)
         reactions = chain.reactions
         cross_sections = _find_cross_sections(model)
-        nuclides_with_data = cls._get_nuclides_with_data(cross_sections)
+        nuclides_with_data = _get_nuclides_with_data(cross_sections)
         burnable_nucs = [nuc.name for nuc in chain.nuclides
                          if nuc.name in nuclides_with_data]
         diluted_materials = Materials()
@@ -125,36 +155,11 @@ class MicroXS(DataFrame):
                 for burn_nuc in burnable_nucs:
                     if burn_nuc not in nuc_densities:
                         material.add_nuclide(burn_nuc,
-                                             dilute_density)
+                                                     dilute_density)
             diluted_materials.append(material)
+
         return reactions, diluted_materials
 
-    @staticmethod
-    def _get_nuclides_with_data(cross_sections):
-        """Loads cross_sections.xml file to find nuclides with neutron data
-
-        Parameters
-        ----------
-        cross_sections : str
-            Path to cross_sections.xml file
-
-        Returns
-        -------
-        nuclides : set of str
-            Set of nuclide names that have cross secton data
-
-        """
-        nuclides = set()
-        data_lib = DataLibrary.from_xml(cross_sections)
-        for library in data_lib.libraries:
-            if library['type'] != 'neutron':
-                continue
-            for name in library['materials']:
-                if name not in nuclides:
-                    nuclides.add(name)
-
-        return nuclides
-
     @classmethod
     def from_array(cls, nuclides, reactions, data):
         """

From d5a8e29b7c526a252bf611dcba6978640554c09d Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Thu, 4 Aug 2022 12:12:52 -0500
Subject: [PATCH 0750/2654] fix IndependentOperator._load_prev_results()

---
 openmc/deplete/independent_operator.py | 5 ++++-
 1 file changed, 4 insertions(+), 1 deletion(-)

diff --git a/openmc/deplete/independent_operator.py b/openmc/deplete/independent_operator.py
index d2a9f04d0..b7956205a 100644
--- a/openmc/deplete/independent_operator.py
+++ b/openmc/deplete/independent_operator.py
@@ -232,7 +232,10 @@ class IndependentOperator(OpenMCOperator):
     def _load_previous_results(self):
         """Load results from a previous depletion simulation"""
         # Reload volumes into geometry
-        self.prev_res[-1].transfer_volumes(self.materials)
+        model = openmc.Model(materials=self.materials)
+        self.prev_res[-1].transfer_volumes(model)
+        self.materials = model.materials
+
 
         # Store previous results in operator
         # Distribute reaction rates according to those tracked

From 3ef15da62f4a24cab65c330acabcd34593270cf5 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Thu, 4 Aug 2022 12:13:07 -0500
Subject: [PATCH 0751/2654] fix MicroXS.from_model()

---
 openmc/deplete/microxs.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/deplete/microxs.py b/openmc/deplete/microxs.py
index 32e0518ff..29ddc7268 100644
--- a/openmc/deplete/microxs.py
+++ b/openmc/deplete/microxs.py
@@ -106,7 +106,7 @@ class MicroXS(DataFrame):
         model.tallies = original_tallies
         model.materials = original_materials
 
-        return micro_xs
+        return cls(micro_xs)
 
     @classmethod
     def _add_dilute_nuclides(cls, chain_file, model, dilute_initial):

From fc3d94b781b26e9ad4a885b77f847d329040f856 Mon Sep 17 00:00:00 2001
From: Joffrey Dorville <joffreydorville@mines.edu>
Date: Thu, 4 Aug 2022 11:24:46 -0600
Subject: [PATCH 0752/2654] Apply @paulromano suggestions

---
 openmc/data/njoy.py     | 4 ++--
 openmc/data/reaction.py | 2 +-
 2 files changed, 3 insertions(+), 3 deletions(-)

diff --git a/openmc/data/njoy.py b/openmc/data/njoy.py
index 70351a772..d8ecaae18 100644
--- a/openmc/data/njoy.py
+++ b/openmc/data/njoy.py
@@ -127,7 +127,7 @@ acer / %%%%%%%%%%%%%%%%%%%%%%%% Write out in ACE format %%%%%%%%%%%%%%%%%%%%%%%%
 1 0 1 .{ext} /
 '{library}: {zsymam} at {temperature}'/
 {mat} {temperature}
-1 1 {ismoothing}/
+1 1 {ismooth}/
 /
 """
 
@@ -383,7 +383,7 @@ def make_ace(filename, temperatures=None, acer=True, xsdir=None,
 
     # acer
     if acer:
-        ismoothing = int(smoothing)
+        ismooth = int(smoothing)
         nacer_in = nlast
         for i, temperature in enumerate(temperatures):
             # Extend input with an ACER run for each temperature
diff --git a/openmc/data/reaction.py b/openmc/data/reaction.py
index 42fc576da..a2431cf1c 100644
--- a/openmc/data/reaction.py
+++ b/openmc/data/reaction.py
@@ -82,7 +82,7 @@ def _get_products(ev, mt):
 
     Raises
     ------
-    IOError:
+    IOError
         When the Kalbach-Mann systematics is used, but the product
         is not defined in the 'center-of-mass' system. The breakup logic
         is not implemented which can lead to this error being raised while

From bce3cc0da42651c01c7a63506f70b784769fff53 Mon Sep 17 00:00:00 2001
From: myerspat <myerspat@umich.edu>
Date: Thu, 4 Aug 2022 15:46:10 -0400
Subject: [PATCH 0753/2654] Added rpn back for bounding box

---
 include/openmc/cell.h |  1 +
 src/cell.cpp          | 22 +++++++++++++++-------
 2 files changed, 16 insertions(+), 7 deletions(-)

diff --git a/include/openmc/cell.h b/include/openmc/cell.h
index e812fc88f..4d07b2619 100644
--- a/include/openmc/cell.h
+++ b/include/openmc/cell.h
@@ -204,6 +204,7 @@ public:
   vector<std::int32_t> region_;
   //! Revised infix notation with no complements
   vector<std::int32_t> region_no_complements_;
+  vector<std::int32_t> rpn_;
   bool simple_; //!< Does the region contain only intersections?
 
   //! \brief Neighboring cells in the same universe.
diff --git a/src/cell.cpp b/src/cell.cpp
index fc19c1c49..c89e437ac 100644
--- a/src/cell.cpp
+++ b/src/cell.cpp
@@ -138,7 +138,17 @@ std::vector<int32_t>::iterator add_parenthesis(
 
     } else if (*start == OP_LEFT_PAREN) {
       return_iterator = start;
-      start = std::find(start, infix.end(), OP_RIGHT_PAREN);
+      int depth = 1;
+      do {
+        start++;
+        if (*start > OP_COMPLEMENT) {
+          if (*start == OP_RIGHT_PAREN) {
+            depth--;
+          } else {
+            depth++;
+          }
+        }
+      } while (depth > 0);
     }
   }
 
@@ -598,6 +608,7 @@ CSGCell::CSGCell(pugi::xml_node cell_node)
   } else {
     // Ensure intersections have precedence over unions
     add_precedence(region_no_complements_);
+    rpn_ = generate_rpn(id_, region_no_complements_);
   }
   region_no_complements_.shrink_to_fit();
 
@@ -776,9 +787,6 @@ void CSGCell::remove_complement_ops(vector<int32_t>& infix)
 
 BoundingBox CSGCell::bounding_box_complex(vector<int32_t> rpn)
 {
-  // remove complements by adjusting surface signs and operators
-  remove_complement_ops(rpn);
-
   vector<BoundingBox> stack(rpn.size());
   int i_stack = -1;
 
@@ -802,7 +810,7 @@ BoundingBox CSGCell::bounding_box_complex(vector<int32_t> rpn)
 BoundingBox CSGCell::bounding_box() const
 {
   return simple_ ? bounding_box_simple()
-                 : bounding_box_complex(region_no_complements_);
+                 : bounding_box_complex(rpn_);
 }
 
 //==============================================================================
@@ -867,7 +875,7 @@ bool CSGCell::contains_complex(
         if (next_token >= OP_UNION && token != next_token) {
           if (next_token == OP_LEFT_PAREN) {
             int depth = 1;
-            while (depth > 0) {
+            do {
               it++;
               if (*it > OP_COMPLEMENT) {
                 if (*it == OP_RIGHT_PAREN) {
@@ -876,7 +884,7 @@ bool CSGCell::contains_complex(
                   depth++;
                 }
               }
-            }
+            } while (depth > 0);
           } else {
             break;
           }

From 39eaf9d88752f97ad21170c6b393358f24d4961c Mon Sep 17 00:00:00 2001
From: Ethan Peterson <ethan.peterson@mit.edu>
Date: Thu, 4 Aug 2022 16:50:18 -0400
Subject: [PATCH 0754/2654] Apply suggestions from code review

Co-authored-by: Jonathan Shimwell <drshimwell@gmail.com>
---
 openmc/material.py                |  2 +-
 tests/unit_tests/test_material.py | 14 +++++++-------
 2 files changed, 8 insertions(+), 8 deletions(-)

diff --git a/openmc/material.py b/openmc/material.py
index 965c9d5c8..ed1b83977 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -899,7 +899,7 @@ class Material(IDManagerMixin):
 
         return nuclides
 
-    def get_activity(self, normalization: str = 'total', by_nuclide: bool = False):
+    def get_activity(self, normalization: str = 'volume', by_nuclide: bool = False):
         """Returns the activity of the material or for each nuclide in the
         material in units of [Bq], [Bq/g] or [Bq/cc].
 
diff --git a/tests/unit_tests/test_material.py b/tests/unit_tests/test_material.py
index 5f567304b..eadad5006 100644
--- a/tests/unit_tests/test_material.py
+++ b/tests/unit_tests/test_material.py
@@ -483,33 +483,33 @@ def test_get_activity():
     assert m1.get_activity(normalization='volume') == 0
     assert m1.get_activity(normalization='mass') == 0
     m1.volume = 1
-    assert m1.get_activity() == 0
+    assert m1.get_activity(normalization='total') == 0
 
     # Checks that 1g of tritium has the correct activity scaling
     m2 = openmc.Material()
     m2.add_nuclide("H3", 1)
     m2.set_density('g/cm3', 1)
     m2.volume = 1
-    assert pytest.approx(m2.get_activity()) == 3.559778e14
+    assert pytest.approx(m2.get_activity(normalization='total')) == 3.559778e14
     m2.set_density('g/cm3', 2)
-    assert pytest.approx(m2.get_activity()) == 3.559778e14*2
+    assert pytest.approx(m2.get_activity(normalization='total')) == 3.559778e14*2
     m2.volume = 3
-    assert pytest.approx(m2.get_activity()) == 3.559778e14*2*3
+    assert pytest.approx(m2.get_activity(normalization='total')) == 3.559778e14*2*3
 
     # Checks that 1 mol of a metastable nuclides has the correct activity
     m3 = openmc.Material()
     m3.add_nuclide("Tc99_m1", 1)
     m3.set_density('g/cm3', 1)
     m3.volume = 98.9
-    assert pytest.approx(m3.get_activity(), rel=0.001) == 1.93e19
+    assert pytest.approx(m3.get_activity(normalization='total'), rel=0.001) == 1.93e19
 
     # Checks that specific and volumetric activity of tritium are correct
     m4 = openmc.Material()
     m4.add_nuclide("H3", 1)
     m4.set_density('g/cm3', 1.5)
-    assert m4.get_activity(normalization='mass') == 355978108155966.0*2/3  # [Bq/g]
+    assert m4.get_activity(normalization='mass') == 355978108155965.94  # [Bq/g]
     assert m4.get_activity(normalization='mass', by_nuclide=True) == {
-        "H3": 355978108155966.0*2/3  # [Bq/g]
+        "H3": 355978108155965.94  # [Bq/g]
     }
     assert m4.get_activity(normalization='volume') == 355978108155965.94*3/2 # [Bq/cc]
     assert m4.get_activity(normalization='volume', by_nuclide=True) == {

From c75524cfa0288103ec37e1538ff30472f5a83b9d Mon Sep 17 00:00:00 2001
From: Olek <45364492+yardasol@users.noreply.github.com>
Date: Thu, 4 Aug 2022 16:11:11 -0500
Subject: [PATCH 0755/2654] simplify `from_model`

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/deplete/microxs.py | 13 +++++--------
 1 file changed, 5 insertions(+), 8 deletions(-)

diff --git a/openmc/deplete/microxs.py b/openmc/deplete/microxs.py
index 29ddc7268..c4094970f 100644
--- a/openmc/deplete/microxs.py
+++ b/openmc/deplete/microxs.py
@@ -94,19 +94,16 @@ class MicroXS(DataFrame):
                     xs[rxn].load_from_statepoint(sp)
 
         # Build the DataFrame
-        micro_xs = cls()
-        for rxn in xs:
-            df = xs[rxn].get_pandas_dataframe(xs_type='micro')
-            df.index = df['nuclide']
-            df.drop(['nuclide', xs[rxn].domain_type, 'group in', 'std. dev.'], axis=1, inplace=True)
-            df.rename({'mean': rxn}, axis=1, inplace=True)
-            micro_xs = concat([micro_xs, df], axis=1)
+        series = {}
+        for rx in xs:
+            df = xs[rx].get_pandas_dataframe(xs_type='micro')
+            series[rx] = df.set_index('nuclide')['mean']
 
         # Revert to the original tallies and materials
         model.tallies = original_tallies
         model.materials = original_materials
 
-        return cls(micro_xs)
+        return cls(series)
 
     @classmethod
     def _add_dilute_nuclides(cls, chain_file, model, dilute_initial):

From 75d82a7df72dc1a1e40d7983d4537f412fca703f Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <drshimwell@gmail.com>
Date: Thu, 4 Aug 2022 23:43:42 +0100
Subject: [PATCH 0756/2654] reverting to pytest.approx

Co-authored-by: Ethan Peterson <ethan.peterson@mit.edu>
---
 tests/unit_tests/test_material.py | 13 +++++--------
 1 file changed, 5 insertions(+), 8 deletions(-)

diff --git a/tests/unit_tests/test_material.py b/tests/unit_tests/test_material.py
index eadad5006..dbc67fcc2 100644
--- a/tests/unit_tests/test_material.py
+++ b/tests/unit_tests/test_material.py
@@ -507,14 +507,11 @@ def test_get_activity():
     m4 = openmc.Material()
     m4.add_nuclide("H3", 1)
     m4.set_density('g/cm3', 1.5)
-    assert m4.get_activity(normalization='mass') == 355978108155965.94  # [Bq/g]
-    assert m4.get_activity(normalization='mass', by_nuclide=True) == {
-        "H3": 355978108155965.94  # [Bq/g]
-    }
-    assert m4.get_activity(normalization='volume') == 355978108155965.94*3/2 # [Bq/cc]
-    assert m4.get_activity(normalization='volume', by_nuclide=True) == {
-        "H3": 355978108155965.94*3/2 # [Bq/cc]
+    assert pytest.approx(m4.get_activity(normalization='mass')) == 355978108155965.94  # [Bq/g]
+    assert pytest.approx(m4.get_activity(normalization='mass', by_nuclide=True)["H3"]) == 355978108155965.94  # [Bq/g]
+    assert pytest.approx(m4.get_activity(normalization='volume')) == 355978108155965.94*3/2 # [Bq/cc]
+    assert pytest.approx(m4.get_activity(normalization='volume', by_nuclide=True)["H3"]) == 355978108155965.94*3/2 # [Bq/cc]
     }
     # volume is required to calculate total activity
     m4.volume = 10.
-    assert m4.get_activity(normalization='total') == 355978108155965.94*3/2*10 # [Bq]
+    assert pytest.approx(m4.get_activity(normalization='total')) == 355978108155965.94*3/2*10 # [Bq]

From 496dda717ce055024993053d9a42af47a961c955 Mon Sep 17 00:00:00 2001
From: shimwell <mail@jshimwell.com>
Date: Thu, 4 Aug 2022 23:59:51 +0100
Subject: [PATCH 0757/2654] removed missing bracket

---
 tests/unit_tests/test_material.py | 1 -
 1 file changed, 1 deletion(-)

diff --git a/tests/unit_tests/test_material.py b/tests/unit_tests/test_material.py
index dbc67fcc2..7e9121608 100644
--- a/tests/unit_tests/test_material.py
+++ b/tests/unit_tests/test_material.py
@@ -511,7 +511,6 @@ def test_get_activity():
     assert pytest.approx(m4.get_activity(normalization='mass', by_nuclide=True)["H3"]) == 355978108155965.94  # [Bq/g]
     assert pytest.approx(m4.get_activity(normalization='volume')) == 355978108155965.94*3/2 # [Bq/cc]
     assert pytest.approx(m4.get_activity(normalization='volume', by_nuclide=True)["H3"]) == 355978108155965.94*3/2 # [Bq/cc]
-    }
     # volume is required to calculate total activity
     m4.volume = 10.
     assert pytest.approx(m4.get_activity(normalization='total')) == 355978108155965.94*3/2*10 # [Bq]

From a3c15fb07fcf51fec6fdeaa7faa665960b53c796 Mon Sep 17 00:00:00 2001
From: myerspat <myerspat@umich.edu>
Date: Fri, 5 Aug 2022 17:01:09 -0400
Subject: [PATCH 0758/2654] Proper parenthesis handling for De Morgans

---
 src/cell.cpp | 12 +++++++++++-
 1 file changed, 11 insertions(+), 1 deletion(-)

diff --git a/src/cell.cpp b/src/cell.cpp
index c89e437ac..12fb9f674 100644
--- a/src/cell.cpp
+++ b/src/cell.cpp
@@ -773,7 +773,17 @@ void CSGCell::remove_complement_ops(vector<int32_t>& infix)
     // Define stop given left parenthesis or not
     auto stop = it;
     if (*it == OP_LEFT_PAREN) {
-      stop = std::find(it, infix.end(), OP_RIGHT_PAREN);
+      int depth = 1;
+      do {
+        stop++;
+        if (*stop > OP_COMPLEMENT) {
+          if (*stop == OP_RIGHT_PAREN) {
+            depth--;
+          } else {
+            depth++;
+          }
+        }
+      } while (depth > 0);
       it++;
     }
 

From c943128587e846d1e477ba9b37cdfa49d05d18df Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 25 Mar 2022 13:25:55 -0500
Subject: [PATCH 0759/2654] Add pytest request path to location of cleanup
 files in cpp driver test

---
 tests/regression_tests/cpp_driver/test.py | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/tests/regression_tests/cpp_driver/test.py b/tests/regression_tests/cpp_driver/test.py
index 95912b3f7..e8b1c62ac 100644
--- a/tests/regression_tests/cpp_driver/test.py
+++ b/tests/regression_tests/cpp_driver/test.py
@@ -48,8 +48,8 @@ def cpp_driver(request):
 
     finally:
         # Remove local build directory when test is complete
-        shutil.rmtree('build')
-        os.remove('CMakeLists.txt')
+        shutil.rmtree(request.node.path.parent / 'build')
+        os.remove(request.node.path.parent / 'CMakeLists.txt')
 
 
 @pytest.fixture

From d3535a521e06958f5d9f16c00c5238f60f825300 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Mon, 11 Apr 2022 12:23:23 -0500
Subject: [PATCH 0760/2654] Add Python pickle files to ignore

---
 .gitignore | 1 +
 1 file changed, 1 insertion(+)

diff --git a/.gitignore b/.gitignore
index 88e59895d..3b2a24a4d 100644
--- a/.gitignore
+++ b/.gitignore
@@ -3,6 +3,7 @@
 *.o
 *.log
 *.out
+*.pkl
 
 # Compiler python objects
 *.pyc

From 75548aade800bcab72a865bcc2f1ca4f75fcec37 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Mon, 8 Aug 2022 13:34:20 +0100
Subject: [PATCH 0761/2654] added bin_log_width to energyfilter

---
 openmc/filter.py | 7 +++++++
 1 file changed, 7 insertions(+)

diff --git a/openmc/filter.py b/openmc/filter.py
index be3d97679..7fe454865 100644
--- a/openmc/filter.py
+++ b/openmc/filter.py
@@ -1324,6 +1324,13 @@ class EnergyFilter(RealFilter):
             cv.check_greater_than('filter value', v0, 0., equality=True)
             cv.check_greater_than('filter value', v1, 0., equality=True)
 
+    def bin_log_width(self):
+        """Returns the base 10 log width of energy bins which is useful when
+        plotting the normalized flux"""
+        bin_edges = np.unique(self.bins)
+        log_width = np.log10(bin_edges[1:]/bin_edges[:-1])
+        return log_width
+
     @classmethod
     def from_group_structure(cls, group_structure):
         """Construct an EnergyFilter instance from a standard group structure.

From 98f5da737f7607cc82d7d8b51fa76ff697c0f579 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Sat, 6 Aug 2022 06:20:11 -0500
Subject: [PATCH 0762/2654] rm space

---
 openmc/universe.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/universe.py b/openmc/universe.py
index 78f75bbfc..4e9cd91f3 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -785,7 +785,7 @@ class DAGMCUniverse(UniverseBase):
             Universe instance
         """
 
-        bounding_cell = openmc.Cell(fill=self, cell_id =bounding_cell_id, region=self.bounding_region(**kwargs))
+        bounding_cell = openmc.Cell(fill=self, cell_id=bounding_cell_id, region=self.bounding_region(**kwargs))
         return openmc.Universe(cells=[bounding_cell])
 
     @classmethod

From bb764b960a1a6f745f9eaed7aea2f65fa6eb6b72 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Mon, 8 Aug 2022 13:52:50 +0100
Subject: [PATCH 0763/2654] added return type to bin width method

---
 openmc/filter.py | 10 ++++++++--
 1 file changed, 8 insertions(+), 2 deletions(-)

diff --git a/openmc/filter.py b/openmc/filter.py
index 7fe454865..2e6c22c3a 100644
--- a/openmc/filter.py
+++ b/openmc/filter.py
@@ -1325,8 +1325,14 @@ class EnergyFilter(RealFilter):
             cv.check_greater_than('filter value', v1, 0., equality=True)
 
     def bin_log_width(self):
-        """Returns the base 10 log width of energy bins which is useful when
-        plotting the normalized flux"""
+        """Calculates the base 10 log width of energy bins which is useful when
+        plotting the normalized flux.
+
+        Returns
+        -------
+        numpy.array
+            Array of bin widths
+        """
         bin_edges = np.unique(self.bins)
         log_width = np.log10(bin_edges[1:]/bin_edges[:-1])
         return log_width

From a94fb43418e15fccf522c2ee1f1271e268c5cba9 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Mon, 8 Aug 2022 14:00:25 +0100
Subject: [PATCH 0764/2654] review comments from @paulromano

---
 openmc/material.py | 24 +++++++++++-------------
 1 file changed, 11 insertions(+), 13 deletions(-)

diff --git a/openmc/material.py b/openmc/material.py
index ed1b83977..c194a8229 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -899,18 +899,17 @@ class Material(IDManagerMixin):
 
         return nuclides
 
-    def get_activity(self, normalization: str = 'volume', by_nuclide: bool = False):
+    def get_activity(self, units: str = 'Bq/cm3', by_nuclide: bool = False):
         """Returns the activity of the material or for each nuclide in the
-        material in units of [Bq], [Bq/g] or [Bq/cc].
+        material in units of [Bq], [Bq/g] or [Bq/cm3].
 
         .. versionadded:: 0.13.1
 
         Parameters
         ----------
-        normalization : {'total', 'mass', 'volume'}
-            Specifies the type of activity to return, 'total' will return the
-            material activity in [Bq], 'mass' returns the materials specific
-            activity in [Bq/g] and 'volume' returns the activity in [Bq/cc].
+        units : {'Bq', 'Bq/g', 'Bq/cm3'}
+            Specifies the type of activity to return, options include total
+            activity [Bq], specific [Bq/g] or volumetric activity [Bq/cm3].
         by_nuclide : bool
             Specifies if the activity should be returned for the material as a
             whole or per nuclide.
@@ -924,16 +923,16 @@ class Material(IDManagerMixin):
             of the material is returned as a float.
         """
 
-        cv.check_value('normalization', normalization, {'total', 'mass', 'volume'})
+        cv.check_value('units', units, {'Bq', 'Bq/g', 'Bq/cm3'})
         cv.check_type('by_nuclide', by_nuclide, bool)
-        
-        if normalization == 'total':
+
+        if units == 'Bq':
             multiplier = self.volume
-        elif normalization == 'volume':
+        elif units == 'Bq/g':
             multiplier = 1
-        elif normalization == 'mass':
+        elif units == 'Bq/cm3':
             multiplier = 1.0 / self.get_mass_density()
-            
+
         activity = {}
         for nuclide, atoms_per_bcm in self.get_nuclide_atom_densities().items():
             inv_seconds = openmc.data.decay_constant(nuclide)
@@ -944,7 +943,6 @@ class Material(IDManagerMixin):
         else:
             return sum(activity.values())
 
-
     def get_nuclide_atoms(self):
         """Return number of atoms of each nuclide in the material
 

From 63b517aebc775fc4c060c18868895960c95100ae Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <drshimwell@gmail.com>
Date: Mon, 8 Aug 2022 14:52:35 +0100
Subject: [PATCH 0765/2654] updated tests to use units args by @eepeterson

Co-authored-by: Ethan Peterson <ethan.peterson@mit.edu>
---
 openmc/material.py                |  3 ++-
 tests/unit_tests/test_material.py | 24 ++++++++++++------------
 2 files changed, 14 insertions(+), 13 deletions(-)

diff --git a/openmc/material.py b/openmc/material.py
index c194a8229..724b88ab4 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -910,9 +910,10 @@ class Material(IDManagerMixin):
         units : {'Bq', 'Bq/g', 'Bq/cm3'}
             Specifies the type of activity to return, options include total
             activity [Bq], specific [Bq/g] or volumetric activity [Bq/cm3].
+            Default is volumetric activity [Bq/cm3].
         by_nuclide : bool
             Specifies if the activity should be returned for the material as a
-            whole or per nuclide.
+            whole or per nuclide. Default is False.
 
         Returns
         -------
diff --git a/tests/unit_tests/test_material.py b/tests/unit_tests/test_material.py
index 7e9121608..451c5308a 100644
--- a/tests/unit_tests/test_material.py
+++ b/tests/unit_tests/test_material.py
@@ -480,37 +480,37 @@ def test_get_activity():
     m1.add_element("Li", 0.3)
     m1.set_density('g/cm3', 1.5)
     # activity in Bq/cc and Bq/g should not require volume setting
-    assert m1.get_activity(normalization='volume') == 0
-    assert m1.get_activity(normalization='mass') == 0
+    assert m1.get_activity(units='Bq/cm3') == 0
+    assert m1.get_activity(units='Bq/g') == 0
     m1.volume = 1
-    assert m1.get_activity(normalization='total') == 0
+    assert m1.get_activity(units='Bq') == 0
 
     # Checks that 1g of tritium has the correct activity scaling
     m2 = openmc.Material()
     m2.add_nuclide("H3", 1)
     m2.set_density('g/cm3', 1)
     m2.volume = 1
-    assert pytest.approx(m2.get_activity(normalization='total')) == 3.559778e14
+    assert pytest.approx(m2.get_activity(units='Bq')) == 3.559778e14
     m2.set_density('g/cm3', 2)
-    assert pytest.approx(m2.get_activity(normalization='total')) == 3.559778e14*2
+    assert pytest.approx(m2.get_activity(units='Bq')) == 3.559778e14*2
     m2.volume = 3
-    assert pytest.approx(m2.get_activity(normalization='total')) == 3.559778e14*2*3
+    assert pytest.approx(m2.get_activity(units='Bq')) == 3.559778e14*2*3
 
     # Checks that 1 mol of a metastable nuclides has the correct activity
     m3 = openmc.Material()
     m3.add_nuclide("Tc99_m1", 1)
     m3.set_density('g/cm3', 1)
     m3.volume = 98.9
-    assert pytest.approx(m3.get_activity(normalization='total'), rel=0.001) == 1.93e19
+    assert pytest.approx(m3.get_activity(units='Bq'), rel=0.001) == 1.93e19
 
     # Checks that specific and volumetric activity of tritium are correct
     m4 = openmc.Material()
     m4.add_nuclide("H3", 1)
     m4.set_density('g/cm3', 1.5)
-    assert pytest.approx(m4.get_activity(normalization='mass')) == 355978108155965.94  # [Bq/g]
-    assert pytest.approx(m4.get_activity(normalization='mass', by_nuclide=True)["H3"]) == 355978108155965.94  # [Bq/g]
-    assert pytest.approx(m4.get_activity(normalization='volume')) == 355978108155965.94*3/2 # [Bq/cc]
-    assert pytest.approx(m4.get_activity(normalization='volume', by_nuclide=True)["H3"]) == 355978108155965.94*3/2 # [Bq/cc]
+    assert pytest.approx(m4.get_activity(units='Bq/g')) == 355978108155965.94  # [Bq/g]
+    assert pytest.approx(m4.get_activity(units='Bq/g', by_nuclide=True)["H3"]) == 355978108155965.94  # [Bq/g]
+    assert pytest.approx(m4.get_activity(units='Bq/cm3')) == 355978108155965.94*3/2 # [Bq/cc]
+    assert pytest.approx(m4.get_activity(units='Bq/cm3', by_nuclide=True)["H3"]) == 355978108155965.94*3/2 # [Bq/cc]
     # volume is required to calculate total activity
     m4.volume = 10.
-    assert pytest.approx(m4.get_activity(normalization='total')) == 355978108155965.94*3/2*10 # [Bq]
+    assert pytest.approx(m4.get_activity(units='Bq')) == 355978108155965.94*3/2*10 # [Bq]

From 18bf88bab068ed7eae14220cdf494cf4886c0940 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Mon, 8 Aug 2022 10:22:46 -0500
Subject: [PATCH 0766/2654] Fix typos in mgxs.py spotted by @mkreher13

---
 openmc/mgxs/mgxs.py | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/openmc/mgxs/mgxs.py b/openmc/mgxs/mgxs.py
index 75a33eed7..f9798c24a 100644
--- a/openmc/mgxs/mgxs.py
+++ b/openmc/mgxs/mgxs.py
@@ -3078,10 +3078,10 @@ class AbsorptionXS(MGXS):
 
 @add_params
 class ReducedAbsorptionXS(MGXS):
-    r"""A reduced absorpiton multi-group cross section.
+    r"""A reduced absorption multi-group cross section.
 
     The reduced absorption reaction rate is defined as the difference between
-    absorption and the produced of neutrons due to (n,xn) reactions.
+    absorption and the production of neutrons due to (n,xn) reactions.
 
     This class can be used for both OpenMC input generation and tally data
     post-processing to compute spatially-homogenized and energy-integrated

From 3271c08d22d60b21546bbb948cd967a46b2023cd Mon Sep 17 00:00:00 2001
From: Ethan Peterson <ethan.peterson@mit.edu>
Date: Mon, 8 Aug 2022 11:34:10 -0400
Subject: [PATCH 0767/2654] Apply suggestions from @paulromano code review

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/material.py | 6 +-----
 1 file changed, 1 insertion(+), 5 deletions(-)

diff --git a/openmc/material.py b/openmc/material.py
index 724b88ab4..c89109bfa 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -917,7 +917,6 @@ class Material(IDManagerMixin):
 
         Returns
         -------
-
         Union[dict, float]
             If by_nuclide is True then a dictionary whose keys are nuclide 
             names and values are activity is returned. Otherwise the activity
@@ -939,10 +938,7 @@ class Material(IDManagerMixin):
             inv_seconds = openmc.data.decay_constant(nuclide)
             activity[nuclide] = inv_seconds * 1e24 * atoms_per_bcm * multiplier
 
-        if by_nuclide:
-            return activity
-        else:
-            return sum(activity.values())
+        return activity if by_nuclide else sum(activity.values())
 
     def get_nuclide_atoms(self):
         """Return number of atoms of each nuclide in the material

From 77c3c82c7a00b86930db4c690d8c7b78e8b65010 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Mon, 8 Aug 2022 17:52:49 +0100
Subject: [PATCH 0768/2654] renamed method to bin_lethargy

---
 openmc/filter.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/filter.py b/openmc/filter.py
index 2e6c22c3a..0d68ff8d9 100644
--- a/openmc/filter.py
+++ b/openmc/filter.py
@@ -1324,7 +1324,7 @@ class EnergyFilter(RealFilter):
             cv.check_greater_than('filter value', v0, 0., equality=True)
             cv.check_greater_than('filter value', v1, 0., equality=True)
 
-    def bin_log_width(self):
+    def bin_lethargy(self):
         """Calculates the base 10 log width of energy bins which is useful when
         plotting the normalized flux.
 

From 0ba14b2cf08297e1cf190aac3f939e43fa286001 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Mon, 8 Aug 2022 12:20:11 -0500
Subject: [PATCH 0769/2654] Fix use of energy groups in MicroXS.from_model

---
 openmc/deplete/microxs.py | 16 +++++++++-------
 1 file changed, 9 insertions(+), 7 deletions(-)

diff --git a/openmc/deplete/microxs.py b/openmc/deplete/microxs.py
index c4094970f..982d0a55f 100644
--- a/openmc/deplete/microxs.py
+++ b/openmc/deplete/microxs.py
@@ -76,12 +76,14 @@ class MicroXS(DataFrame):
                                                                 dilute_initial)
         model.materials = diluted_materials
 
-        for rxn in reactions:
-            if rxn == 'fission':
-                xs[rxn] = FissionXS(domain=reaction_domain, groups=groups, by_nuclide=True)
+        for rx in reactions:
+            if rx == 'fission':
+                xs[rx] = FissionXS(domain=reaction_domain,
+                                   energy_groups=groups, by_nuclide=True)
             else:
-                xs[rxn] = ArbitraryXS(rxn, domain=reaction_domain, groups=groups, by_nuclide=True)
-            tallies += xs[rxn].tallies.values()
+                xs[rx] = ArbitraryXS(rx, domain=reaction_domain,
+                                     energy_groups=groups, by_nuclide=True)
+            tallies += xs[rx].tallies.values()
 
         model.tallies = tallies
 
@@ -90,8 +92,8 @@ class MicroXS(DataFrame):
             statepoint_path = model.run(cwd=temp_dir)
 
             with StatePoint(statepoint_path) as sp:
-                for rxn in xs:
-                    xs[rxn].load_from_statepoint(sp)
+                for rx in xs:
+                    xs[rx].load_from_statepoint(sp)
 
         # Build the DataFrame
         series = {}

From 5d5bc53a15ea3e77744285564d4aac26f0c0c731 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <drshimwell@gmail.com>
Date: Mon, 8 Aug 2022 20:46:57 +0100
Subject: [PATCH 0770/2654] Fixing the activity tests @eepeterson

Co-authored-by: Ethan Peterson <ethan.peterson@mit.edu>
---
 openmc/material.py | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/openmc/material.py b/openmc/material.py
index c89109bfa..54ff0b512 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -928,9 +928,9 @@ class Material(IDManagerMixin):
 
         if units == 'Bq':
             multiplier = self.volume
-        elif units == 'Bq/g':
-            multiplier = 1
         elif units == 'Bq/cm3':
+            multiplier = 1
+        elif units == 'Bq/g':
             multiplier = 1.0 / self.get_mass_density()
 
         activity = {}

From 7ba45aaa35a839be0dfe1be622d8b499f56a1419 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <drshimwell@gmail.com>
Date: Mon, 8 Aug 2022 22:21:37 +0100
Subject: [PATCH 0771/2654] [skip ci] review comments from @paulromano

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/filter.py | 7 +++----
 1 file changed, 3 insertions(+), 4 deletions(-)

diff --git a/openmc/filter.py b/openmc/filter.py
index 0d68ff8d9..d7ab3f27e 100644
--- a/openmc/filter.py
+++ b/openmc/filter.py
@@ -1324,7 +1324,8 @@ class EnergyFilter(RealFilter):
             cv.check_greater_than('filter value', v0, 0., equality=True)
             cv.check_greater_than('filter value', v1, 0., equality=True)
 
-    def bin_lethargy(self):
+    @property
+    def lethargy_bin_width(self):
         """Calculates the base 10 log width of energy bins which is useful when
         plotting the normalized flux.
 
@@ -1333,9 +1334,7 @@ class EnergyFilter(RealFilter):
         numpy.array
             Array of bin widths
         """
-        bin_edges = np.unique(self.bins)
-        log_width = np.log10(bin_edges[1:]/bin_edges[:-1])
-        return log_width
+        return np.log10(self.bins[:, 1]/self.bins[:, 0])
 
     @classmethod
     def from_group_structure(cls, group_structure):

From 8c72e4b7b0b8ecbb05ff085e8c859575dd764a00 Mon Sep 17 00:00:00 2001
From: shimwell <mail@jshimwell.com>
Date: Mon, 8 Aug 2022 22:57:32 +0100
Subject: [PATCH 0772/2654] added lethargy_bin_width test

---
 tests/unit_tests/test_filters.py | 9 ++++++++-
 1 file changed, 8 insertions(+), 1 deletion(-)

diff --git a/tests/unit_tests/test_filters.py b/tests/unit_tests/test_filters.py
index 6b344b827..f50a57fa5 100644
--- a/tests/unit_tests/test_filters.py
+++ b/tests/unit_tests/test_filters.py
@@ -1,3 +1,4 @@
+import math
 import numpy as np
 import openmc
 from pytest import fixture, approx
@@ -241,8 +242,14 @@ def test_first_moment(run_in_tmpdir, box_model):
         assert first_score(sph_flux_tally) == approx(flux)
         assert first_score(zernike_tally) == approx(scatter)
 
-
 def test_energy():
     f = openmc.EnergyFilter.from_group_structure('CCFE-709')
     assert f.bins.shape == (709, 2)
     assert len(f.values) == 710
+
+def test_lethargy_bin_width():
+    f = openmc.EnergyFilter.from_group_structure('VITAMIN-J-175')
+    assert len(f.lethargy_bin_width) == 175
+    energy_bins = openmc.mgxs.GROUP_STRUCTURES['VITAMIN-J-175'] 
+    assert f.lethargy_bin_width[0] == math.log10(energy_bins[1]/energy_bins[0])
+    assert f.lethargy_bin_width[-1] == math.log10(energy_bins[-1]/energy_bins[-2])

From 380cfc150b449ef56debb5261caa010a52c42bdd Mon Sep 17 00:00:00 2001
From: erkn <erik@vonbrun.org>
Date: Tue, 9 Aug 2022 08:12:19 +0200
Subject: [PATCH 0773/2654] refactor MCPL file read part of FileSource

A new constructor is added to FileSource that reads from
a given MCPL-file.
---
 include/openmc/source.h |  30 +---------
 src/settings.cpp        |   2 +-
 src/source.cpp          | 128 +++++++++++++++-------------------------
 3 files changed, 52 insertions(+), 108 deletions(-)

diff --git a/include/openmc/source.h b/include/openmc/source.h
index 4d7ec104a..5c2dae931 100644
--- a/include/openmc/source.h
+++ b/include/openmc/source.h
@@ -96,7 +96,9 @@ class FileSource : public Source {
 public:
   // Constructors
   explicit FileSource(std::string path);
-
+#ifdef OPENMC_MCPL
+  explicit FileSource(mcpl_file_t mcpl_file);
+#endif
   // Methods
   SourceSite sample(uint64_t* seed) const override;
 
@@ -104,32 +106,6 @@ private:
   vector<SourceSite> sites_; //!< Source sites from a file
 };
 
-#ifdef OPENMC_MCPL
-//==============================================================================
-// MCPL-file input source
-//==============================================================================
-class MCPLFileSource : public Source {
-public:
-  // Constructors, destructors
-  MCPLFileSource(std::string path);
-  ~MCPLFileSource();
-
-  // Methods
-  //! Sample from the external source distribution
-  //! \param[inout] seed Pseudorandom seed pointer
-  //! \return Site read from MCPL-file
-  SourceSite sample(uint64_t* seed) const;
-
-private:
-  SourceSite read_single_particle() const;
-  void read_source_bank(vector<SourceSite> &sites_);
-
-  vector <SourceSite> sites_; //!<source sites from an MCPL-file
-  mcpl_file_t mcpl_file;
-  uint64_t n_sites;
-};
-#endif
-
 //==============================================================================
 //! Wrapper for custom sources that manages opening/closing shared library
 //==============================================================================
diff --git a/src/settings.cpp b/src/settings.cpp
index d419cab06..11dd96e02 100644
--- a/src/settings.cpp
+++ b/src/settings.cpp
@@ -433,7 +433,7 @@ void read_settings_xml()
 #ifdef OPENMC_MCPL
     } else if (check_for_node(node, "mcpl")) {
       auto path = get_node_value(node, "mcpl", false, true);
-      model::external_sources.push_back(make_unique<MCPLFileSource>(path));
+      model::external_sources.push_back(make_unique<FileSource>(mcpl_open_file(path.c_str())));
 #endif
     } else if (check_for_node(node, "library")) {
       // Get shared library path and parameters
diff --git a/src/source.cpp b/src/source.cpp
index 82978f103..49e51c4b1 100644
--- a/src/source.cpp
+++ b/src/source.cpp
@@ -277,6 +277,54 @@ FileSource::FileSource(std::string path)
   file_close(file_id);
 }
 
+#ifdef OPENMC_MCPL
+FileSource::FileSource(mcpl_file_t mcpl_file)
+{
+  //do checks on the mcpl_file to see if particles are many enough.
+  // should model this on the example source shown in the docs.
+  size_t n_sites=mcpl_hdr_nparticles(mcpl_file);
+
+  sites_.resize(n_sites);
+  for (int i=0;i<n_sites;i++){
+    SourceSite site_;
+
+    const mcpl_particle_t *mcpl_particle;
+    //extract particle from mcpl-file
+    mcpl_particle=mcpl_read(mcpl_file);
+    // check if it is a neutron or a photon. otherwise skip
+    while ( mcpl_particle->pdgcode!=2112 && mcpl_particle->pdgcode!=22 ) {
+      mcpl_particle=mcpl_read(mcpl_file);
+      //should check for file exhaustion This could happen if particles are other than
+      //neutrons or photons
+    }
+
+    if(mcpl_particle->pdgcode==2112) {
+      site_.particle=ParticleType::neutron;
+    } else if (mcpl_particle->pdgcode==22) {
+      site_.particle=ParticleType::photon;
+    }
+
+    //particle is good, convert to openmc-formalism
+    site_.r.x=mcpl_particle->position[0];
+    site_.r.y=mcpl_particle->position[1];
+    site_.r.z=mcpl_particle->position[2];
+
+    site_.u.x=mcpl_particle->direction[0];
+    site_.u.y=mcpl_particle->direction[1];
+    site_.u.z=mcpl_particle->direction[2];
+
+    //mcpl stores kinetic energy in MeV
+    site_.E=mcpl_particle->ekin*1e6;
+    //mcpl stores time in ms
+    site_.time=mcpl_particle->time*1e-3;
+    site_.wgt=mcpl_particle->weight;
+    site_.delayed_group=0;
+    sites_[i]=site_;
+  }
+  mcpl_close_file(mcpl_file);
+}
+#endif //OPENMC_MCPL
+
 SourceSite FileSource::sample(uint64_t* seed) const
 {
   size_t i_site = sites_.size() * prn(seed);
@@ -336,86 +384,6 @@ CustomSourceWrapper::~CustomSourceWrapper()
 #endif
 }
 
-#ifdef OPENMC_MCPL
-//===========================================================================
-// Read particles from an MCPL-file
-//===========================================================================
-MCPLFileSource::MCPLFileSource(std::string path)
-{
-  // Check if source file exists
-  if (!file_exists(path)) {
-    fatal_error(fmt::format("Source file '{}' does not exist.", path));
-  }
-
-  // Read the source from a binary file instead of sampling from some
-  // assumed source distribution
-  write_message(6, "Reading mcpl source file from {}",path);
-
-  // Open the mcpl file
-  mcpl_file = mcpl_open_file(path.c_str());
-
-  //do checks on the mcpl_file to see if particles are many enough.
-  // should model this on the example source shown in the docs.
-  n_sites=mcpl_hdr_nparticles(mcpl_file);
-
-  read_source_bank(sites_);
-}
-
-MCPLFileSource::~MCPLFileSource(){
-  mcpl_close_file(mcpl_file);
-}
-
-SourceSite MCPLFileSource::sample(uint64_t* seed) const
-{
-  size_t i_site = sites_.size() * prn(seed);
-  return sites_[i_site];
-}
-
-void MCPLFileSource::read_source_bank(vector<SourceSite> &sites_)
-{
-  sites_.resize(n_sites);
-  for (int i=0;i<n_sites;i++){
-    sites_[i]=read_single_particle();
-  }
-}
-
-SourceSite MCPLFileSource::read_single_particle() const
-{
-  SourceSite omc_particle_;
-  const mcpl_particle_t *mcpl_particle;
-  //extract particle from mcpl-file
-  mcpl_particle=mcpl_read(mcpl_file);
-  // check if it is a neutron or a photon. otherwise skip
-  while ( mcpl_particle->pdgcode!=2112 && mcpl_particle->pdgcode!=22 ) {
-    mcpl_particle=mcpl_read(mcpl_file);
-    //should check for file exhaustion This could happen if particles are other than
-    //neutrons or photons
-  }
-
-  if(mcpl_particle->pdgcode==2112) {
-    omc_particle_.particle=ParticleType::neutron;
-  } else if (mcpl_particle->pdgcode==22) {
-    omc_particle_.particle=ParticleType::photon;
-  }
-
-  //particle is good, convert to openmc-formalism
-  omc_particle_.r.x=mcpl_particle->position[0];
-  omc_particle_.r.y=mcpl_particle->position[1];
-  omc_particle_.r.z=mcpl_particle->position[2];
-
-  omc_particle_.u.x=mcpl_particle->direction[0];
-  omc_particle_.u.y=mcpl_particle->direction[1];
-  omc_particle_.u.z=mcpl_particle->direction[2];
-
-  //mcpl stores kinetic energy in MeV
-  omc_particle_.E=mcpl_particle->ekin*1e6;
-  //mcpl stores time in ms
-  omc_particle_.time=mcpl_particle->time*1e-3;
-  omc_particle_.wgt=mcpl_particle->weight;
-  omc_particle_.delayed_group=0;
-  return omc_particle_;
-}
-#endif //OPENMC_MCPL
 
 //==============================================================================
 // Non-member functions

From 7004ff5467e48939c73a4fd74569d29b2a77527f Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Tue, 9 Aug 2022 12:40:45 +0100
Subject: [PATCH 0774/2654] [skip ci] pep8 def spaces

---
 tests/unit_tests/test_filters.py | 2 ++
 1 file changed, 2 insertions(+)

diff --git a/tests/unit_tests/test_filters.py b/tests/unit_tests/test_filters.py
index f50a57fa5..ec051d9fd 100644
--- a/tests/unit_tests/test_filters.py
+++ b/tests/unit_tests/test_filters.py
@@ -242,11 +242,13 @@ def test_first_moment(run_in_tmpdir, box_model):
         assert first_score(sph_flux_tally) == approx(flux)
         assert first_score(zernike_tally) == approx(scatter)
 
+
 def test_energy():
     f = openmc.EnergyFilter.from_group_structure('CCFE-709')
     assert f.bins.shape == (709, 2)
     assert len(f.values) == 710
 
+
 def test_lethargy_bin_width():
     f = openmc.EnergyFilter.from_group_structure('VITAMIN-J-175')
     assert len(f.lethargy_bin_width) == 175

From bdd9468540360e3ca24f1a9e68032517669d61b6 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Tue, 9 Aug 2022 17:19:49 -0500
Subject: [PATCH 0775/2654] Fix reaction rate normalization in
 IndependentOperator The _IndependentNormalizationHelper was unneeded.
 Additionally, need to have a dilute_inital parameter to get good first-step
 results.

---
 openmc/deplete/independent_operator.py | 55 ++++++--------------------
 1 file changed, 13 insertions(+), 42 deletions(-)

diff --git a/openmc/deplete/independent_operator.py b/openmc/deplete/independent_operator.py
index b7956205a..422965fb8 100644
--- a/openmc/deplete/independent_operator.py
+++ b/openmc/deplete/independent_operator.py
@@ -55,6 +55,10 @@ class IndependentOperator(OpenMCOperator):
         Dictionary of nuclides and their fission Q values [eV]. If not given,
         values will be pulled from the ``chain_file``. Only applicable
         if ``"normalization_mode" == "fission-q"``.
+    dilute_initial : float, optional
+        Initial atom density [atoms/cm^3] to add for nuclides that are zero
+        in initial condition to ensure they exist in the decay chain.
+        Only done for nuclides with reaction rates.
     reduce_chain : bool, optional
         If True, use :meth:`openmc.deplete.Chain.reduce` to reduce the
         depletion chain up to ``reduce_chain_level``.
@@ -110,6 +114,7 @@ class IndependentOperator(OpenMCOperator):
                  keff=None,
                  normalization_mode='source-rate',
                  fission_q=None,
+                 dilute_initial=1.0e3,
                  prev_results=None,
                  reduce_chain=False,
                  reduce_chain_level=None,
@@ -135,6 +140,7 @@ class IndependentOperator(OpenMCOperator):
             chain_file,
             prev_results,
             fission_q=fission_q,
+            dilute_initial=dilute_initial,
             helper_kwargs=helper_kwargs,
             reduce_chain=reduce_chain,
             reduce_chain_level=reduce_chain_level)
@@ -147,6 +153,7 @@ class IndependentOperator(OpenMCOperator):
                       keff=None,
                       normalization_mode='source-rate',
                       fission_q=None,
+                      dilute_initial=1.0e3,
                       prev_results=None,
                       reduce_chain=False,
                       reduce_chain_level=None,
@@ -178,6 +185,10 @@ class IndependentOperator(OpenMCOperator):
             Dictionary of nuclides and their fission Q values [eV]. If not
             given, values will be pulled from the ``chain_file``. Only
             applicable if ``"normalization_mode" == "fission-q"``.
+        dilute_initial : float
+            Initial atom density [atoms/cm^3] to add for nuclides that
+            are zero in initial condition to ensure they exist in the decay
+            chain. Only done for nuclides with reaction rates.
         prev_results : Results, optional
             Results from a previous depletion calculation.
         reduce_chain : bool, optional
@@ -202,6 +213,7 @@ class IndependentOperator(OpenMCOperator):
                    keff=keff,
                    normalization_mode=normalization_mode,
                    fission_q=fission_q,
+                   dilute_initial=dilute_initial,
                    prev_results=prev_results,
                    reduce_chain=reduce_chain,
                    reduce_chain_level=reduce_chain_level,
@@ -253,47 +265,6 @@ class IndependentOperator(OpenMCOperator):
         """Finds nuclides with cross section data"""
         return set(cross_sections.index)
 
-    class _IndependentNormalizationHelper(ChainFissionHelper):
-        """Class for calculating one-group flux based on a power.
-
-        flux = Power / X, where X = volume * sum_i(Q_i * fission_micro_xs_i * density_i)
-
-        Parameters
-        ----------
-        op : openmc.deplete.IndependentOperator
-            Reference to the object encapsulating _IndependentNormalizationHelper.
-            We pass this so we don't have to duplicate :attr:`IndependentOperator.number`.
-
-        """
-
-        def __init__(self, op):
-            rates = op.reaction_rates
-            self.nuc_ind_map = {ind: nuc for nuc, ind in rates.index_nuc.items()}
-            self._op = op
-            super().__init__()
-
-        def update(self, fission_rates, mat_index=None):
-            """Update 'energy' produced with fission rates in a material. What
-            this actually calculates is the quantity X.
-
-            Parameters
-            ----------
-            fission_rates : numpy.ndarray
-                fission reaction rate for each isotope in the specified
-                material. Should be ordered corresponding to initial
-                ``rate_index`` used in :meth:`prepare`
-            mat_index : int
-                Material index
-
-            """
-            volume = self._op.number.get_mat_volume(mat_index)
-            densities = np.empty_like(fission_rates)
-            for i_nuc, nuc in self.nuc_ind_map.items():
-                densities[i_nuc] = self._op.number.get_atom_density(mat_index, nuc)
-            fission_rates *= volume * densities
-
-            super().update(fission_rates)
-
     class _IndependentRateHelper(ReactionRateHelper):
         """Class for generating one-group reaction rates with flux and
         one-group cross sections.
@@ -370,7 +341,7 @@ class IndependentOperator(OpenMCOperator):
 
         self._rate_helper = self._IndependentRateHelper(self)
         if normalization_mode == "fission-q":
-            self._normalization_helper = self._IndependentNormalizationHelper(self)
+            self._normalization_helper = ChainFissionHelper()
         else:
             self._normalization_helper = SourceRateHelper()
 

From b5b0ca5ce01bc3139b1481c48874f898655201f0 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Tue, 9 Aug 2022 19:54:40 -0500
Subject: [PATCH 0776/2654] make fission-q default normalization mode

---
 openmc/deplete/independent_operator.py | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/openmc/deplete/independent_operator.py b/openmc/deplete/independent_operator.py
index 422965fb8..d84dcb16f 100644
--- a/openmc/deplete/independent_operator.py
+++ b/openmc/deplete/independent_operator.py
@@ -112,7 +112,7 @@ class IndependentOperator(OpenMCOperator):
                  micro_xs,
                  chain_file,
                  keff=None,
-                 normalization_mode='source-rate',
+                 normalization_mode='fission-q',
                  fission_q=None,
                  dilute_initial=1.0e3,
                  prev_results=None,
@@ -151,7 +151,7 @@ class IndependentOperator(OpenMCOperator):
                       chain_file,
                       nuc_units='atom/b-cm',
                       keff=None,
-                      normalization_mode='source-rate',
+                      normalization_mode='fission-q',
                       fission_q=None,
                       dilute_initial=1.0e3,
                       prev_results=None,

From 6048593ad31e7890eb3882e018a25538483a4db9 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Tue, 9 Aug 2022 21:51:33 -0500
Subject: [PATCH 0777/2654] update and expand deplete_no_transport test

---
 tests/micro_xs_simple.csv                     |  20 +--
 .../deplete_no_transport/test.py              | 155 +++++++++++++++---
 .../test_reference_coupled_days.h5            | Bin 0 -> 36312 bytes
 .../test_reference_coupled_hours.h5           | Bin 0 -> 36312 bytes
 .../test_reference_coupled_minutes.h5         | Bin 0 -> 36312 bytes
 .../test_reference_coupled_months.h5          | Bin 0 -> 36312 bytes
 .../test_reference_fission_q.h5               | Bin 36312 -> 36312 bytes
 .../test_reference_source_rate.h5             | Bin 36312 -> 36312 bytes
 8 files changed, 144 insertions(+), 31 deletions(-)
 create mode 100644 tests/regression_tests/deplete_no_transport/test_reference_coupled_days.h5
 create mode 100644 tests/regression_tests/deplete_no_transport/test_reference_coupled_hours.h5
 create mode 100644 tests/regression_tests/deplete_no_transport/test_reference_coupled_minutes.h5
 create mode 100644 tests/regression_tests/deplete_no_transport/test_reference_coupled_months.h5

diff --git a/tests/micro_xs_simple.csv b/tests/micro_xs_simple.csv
index 787ce74c3..71981c718 100644
--- a/tests/micro_xs_simple.csv
+++ b/tests/micro_xs_simple.csv
@@ -1,13 +1,13 @@
 nuclide,"(n,gamma)",fission
-U234,22.231989822002465,0.49620744663749855
-U235,10.479008971197121,48.41787337164604
-U238,0.8673334105437324,0.10467880588762352
-U236,8.65171044607122,0.31948392400019293
-O16,7.497851000107524e-05,0.0
-O17,0.0004079227797153371,0.0
-I135,6.842395323713927,0.0
-Xe135,227463.86426990604,0.0
-Xe136,0.02317896034753588,0.0
+U234,22.231989822002454,0.4962074466374984
+U235,10.479008971197121,48.41787337164606
+U238,0.8673334105437321,0.1046788058876236
+U236,8.651710446071224,0.31948392400019293
+O16,7.497851000107522e-05,0.0
+O17,0.0004079227797153372,0.0
+I135,6.842395323713929,0.0
+Xe135,227463.8642699061,0.0
+Xe136,0.023178960347535887,0.0
 Cs135,2.1721665580713623,0.0
-Gd157,12786.09939237018,0.0
+Gd157,12786.099392370175,0.0
 Gd156,3.4006085445846983,0.0
diff --git a/tests/regression_tests/deplete_no_transport/test.py b/tests/regression_tests/deplete_no_transport/test.py
index 95b842537..bf4a4b132 100644
--- a/tests/regression_tests/deplete_no_transport/test.py
+++ b/tests/regression_tests/deplete_no_transport/test.py
@@ -20,6 +20,17 @@ def fuel():
 
     return fuel
 
+@pytest.fixture(scope="module")
+def micro_xs():
+    micro_xs_file = Path(__file__).parents[2] / 'micro_xs_simple.csv'
+    micro_xs = MicroXS.from_csv(micro_xs_file)
+
+    return micro_xs
+
+@pytest.fixture(scope="module")
+def chain_file():
+    return Path(__file__).parents[2] / 'chain_simple.xml'
+
 @pytest.mark.parametrize("multiproc, from_nuclides, normalization_mode, power, flux", [
     (True, True,'source-rate', None, 1164719970082145.0),
     (False, True, 'source-rate', None, 1164719970082145.0),
@@ -29,7 +40,15 @@ def fuel():
     (False, False, 'source-rate', None, 1164719970082145.0),
     (True, False, 'fission-q', 174, None),
     (False, False, 'fission-q', 174, None)])
-def test_no_transport_from_nuclides(run_in_tmpdir, fuel, multiproc, from_nuclides, normalization_mode, power, flux):
+def test_against_self(run_in_tmpdir,
+                      fuel,
+                      micro_xs,
+                      chain_file,
+                      multiproc,
+                      from_nuclides,
+                      normalization_mode,
+                      power,
+                      flux):
     """Transport free system test suite.
 
     Runs an OpenMC transport-free depletion calculation and verifies
@@ -37,28 +56,22 @@ def test_no_transport_from_nuclides(run_in_tmpdir, fuel, multiproc, from_nuclide
 
     """
     # Create operator
-    micro_xs_file = Path(__file__).parents[2] / 'micro_xs_simple.csv'
-    micro_xs = MicroXS.from_csv(micro_xs_file)
-    chain_file = Path(__file__).parents[2] / 'chain_simple.xml'
-
-    if from_nuclides:
-        nuclides = {}
-        for nuc, dens in fuel.get_nuclide_atom_densities().items():
-            nuclides[nuc] = dens
-
-        op = IndependentOperator.from_nuclides(
-            fuel.volume, nuclides, micro_xs, chain_file, normalization_mode=normalization_mode)
-
-    else:
-        op = IndependentOperator(openmc.Materials([fuel]), micro_xs, chain_file, normalization_mode=normalization_mode)
+    op = _create_operator(from_nuclides,
+                          fuel,
+                          micro_xs,
+                          chain_file,
+                          normalization_mode)
 
     # Power and timesteps
-    dt = [30]  # single step
+    dt = [360]  # single step
 
     # Perform simulation using the predictor algorithm
     openmc.deplete.pool.USE_MULTIPROCESSING = multiproc
-    openmc.deplete.PredictorIntegrator(
-        op, dt, power=power, source_rates=flux, timestep_units='d').integrate()
+    openmc.deplete.PredictorIntegrator(op,
+                                       dt,
+                                       power=power,
+                                       source_rates=flux,
+                                       timestep_units='s').integrate()
 
     # Get path to test and reference results
     path_test = op.output_dir / 'depletion_results.h5'
@@ -73,9 +86,86 @@ def test_no_transport_from_nuclides(run_in_tmpdir, fuel, multiproc, from_nuclide
     res_ref = openmc.deplete.Results(path_reference)
 
     # Assert same mats
+    _assert_same_mats(res_test, res_ref)
+
+    tol = 1.0e-14
+    _assert_atoms_equal(res_test, res_ref, tol)
+    _assert_reaction_rates_equal(res_test, res_ref, tol)
+
+@pytest.mark.parametrize("multiproc, dt, time_units, time_type, atom_tol, rx_tol ", [
+    (True, 360, 's', 'minutes', 2.0e-3, 3.0e-2),
+    (False, 360, 's', 'minutes', 2.0e-3, 3.0e-2),
+    (True, 4, 'h', 'hours', 2.0e-3, 6.0e-2),
+    (False,4, 'h', 'hours', 2.0e-3, 6.0e-2),
+    (True, 5, 'd', 'days', 2.0e-3, 5.0e-2),
+    (False,5, 'd', 'days', 2.0e-3, 5.0e-2),
+    (True, 100, 'd', 'months', 4.0e-3, 9.0e-2),
+    (False, 100, 'd', 'months', 4.0e-3, 9.0e-2)])
+def test_against_coupled(run_in_tmpdir,
+                         fuel,
+                         micro_xs,
+                         chain_file,
+                         multiproc,
+                         dt,
+                         time_units,
+                         time_type,
+                         atom_tol,
+                         rx_tol):
+    # Create operator
+    op = _create_operator(False, fuel, micro_xs, chain_file, 'fission-q')
+
+    # Power and timesteps
+    dt = [dt]  # single step
+
+    # Perform simulation using the predictor algorithm
+    openmc.deplete.pool.USE_MULTIPROCESSING = multiproc
+    openmc.deplete.PredictorIntegrator(
+        op, dt, power=174, timestep_units=time_units).integrate()
+
+    # Get path to test and reference results
+    path_test = op.output_dir / 'depletion_results.h5'
+
+    ref_path = f'test_reference_coupled_{time_type}.h5'
+    path_reference = Path(__file__).with_name(ref_path)
+
+    # Load the reference/test results
+    res_test = openmc.deplete.Results(path_test)
+    res_ref = openmc.deplete.Results(path_reference)
+
+    # Assert same mats
+    _assert_same_mats(res_test, res_ref)
+
+    _assert_atoms_equal(res_test, res_ref, atom_tol)
+    _assert_reaction_rates_equal(res_test, res_ref, rx_tol)
+
+def _create_operator(from_nuclides,
+                     fuel,
+                     micro_xs,
+                     chain_file,
+                     normalization_mode):
+    if from_nuclides:
+        nuclides = {}
+        for nuc, dens in fuel.get_nuclide_atom_densities().items():
+            nuclides[nuc] = dens
+
+        op = IndependentOperator.from_nuclides(fuel.volume,
+                                               nuclides,
+                                               micro_xs,
+                                               chain_file,
+                                               normalization_mode=normalization_mode)
+
+    else:
+        op = IndependentOperator(openmc.Materials([fuel]),
+                                 micro_xs,
+                                 chain_file,
+                                 normalization_mode=normalization_mode)
+
+    return op
+
+def _assert_same_mats(res_ref, res_test):
     for mat in res_ref[0].mat_to_ind:
-        assert mat in res_test[0].mat_to_ind, \
-            "Material {} not in new results.".format(mat)
+            assert mat in res_test[0].mat_to_ind, \
+                "Material {} not in new results.".format(mat)
     for nuc in res_ref[0].nuc_to_ind:
         assert nuc in res_test[0].nuc_to_ind, \
             "Nuclide {} not in new results.".format(nuc)
@@ -87,7 +177,7 @@ def test_no_transport_from_nuclides(run_in_tmpdir, fuel, multiproc, from_nuclide
         assert nuc in res_ref[0].nuc_to_ind, \
             "Nuclide {} not in old results.".format(nuc)
 
-    tol = 1.0e-6
+def _assert_atoms_equal(res_ref, res_test, tol):
     for mat in res_test[0].mat_to_ind:
         for nuc in res_test[0].nuc_to_ind:
             _, y_test = res_test.get_atoms(mat, nuc)
@@ -104,3 +194,26 @@ def test_no_transport_from_nuclides(run_in_tmpdir, fuel, multiproc, from_nuclide
 
             assert correct, "Discrepancy in mat {} and nuc {}\n{}\n{}".format(
                 mat, nuc, y_old, y_test)
+
+def _assert_reaction_rates_equal(res_ref, res_test, tol):
+    for reactions in res_test[0].rates:
+        for mat in reactions.index_mat:
+            for nuc in reactions.index_nuc:
+                for rx in reactions.index_rx:
+                    y_test = res_test.get_reaction_rate(mat, nuc, rx)[1] / \
+                        res_test.get_atoms(mat, nuc)[1]
+                    y_old = res_ref.get_reaction_rate(mat, nuc, rx)[1] / \
+                        res_ref.get_atoms(mat, nuc)[1]
+
+                    # Test each point
+                    correct = True
+                    for i, ref in enumerate(y_old):
+                        if ref != y_test[i]:
+                            if ref != 0.0:
+                                correct = np.abs(y_test[i] - ref) / ref <= tol
+                            else:
+                                if y_test[i] != 0.0:
+                                    correct = False
+
+                    assert correct, "Discrepancy in mat {}, nuc {}, and rx {}\n{}\n{}".format(
+                        mat, nuc, rx, y_old, y_test)
diff --git a/tests/regression_tests/deplete_no_transport/test_reference_coupled_days.h5 b/tests/regression_tests/deplete_no_transport/test_reference_coupled_days.h5
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diff --git a/tests/regression_tests/deplete_no_transport/test_reference_coupled_hours.h5 b/tests/regression_tests/deplete_no_transport/test_reference_coupled_hours.h5
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diff --git a/tests/regression_tests/deplete_no_transport/test_reference_coupled_minutes.h5 b/tests/regression_tests/deplete_no_transport/test_reference_coupled_minutes.h5
new file mode 100644
index 0000000000000000000000000000000000000000..1e22bf2b7177fab3c6a55d5aad6cc435b3f02f37
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diff --git a/tests/regression_tests/deplete_no_transport/test_reference_coupled_months.h5 b/tests/regression_tests/deplete_no_transport/test_reference_coupled_months.h5
new file mode 100644
index 0000000000000000000000000000000000000000..43b45cb370c43d2d05000e6cb2dfa1b764d0d5b7
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diff --git a/tests/regression_tests/deplete_no_transport/test_reference_fission_q.h5 b/tests/regression_tests/deplete_no_transport/test_reference_fission_q.h5
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GIT binary patch
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diff --git a/tests/regression_tests/deplete_no_transport/test_reference_source_rate.h5 b/tests/regression_tests/deplete_no_transport/test_reference_source_rate.h5
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pF^2XaJ}Zb=Fxjw2o^jUX$X<E4>m$)z{}zkurDZ_Q2AP1(`2bQpfkOZQ


From 672293a310425f975665ba95b6757b3d32a9fd68 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Tue, 9 Aug 2022 23:04:53 -0500
Subject: [PATCH 0778/2654] doc fixes

---
 docs/source/pythonapi/deplete.rst    | 4 ++--
 docs/source/usersguide/depletion.rst | 3 ++-
 openmc/deplete/microxs.py            | 4 ++--
 3 files changed, 6 insertions(+), 5 deletions(-)

diff --git a/docs/source/pythonapi/deplete.rst b/docs/source/pythonapi/deplete.rst
index 0b7faceb7..4154e35df 100644
--- a/docs/source/pythonapi/deplete.rst
+++ b/docs/source/pythonapi/deplete.rst
@@ -43,7 +43,7 @@ algorithms <http://hdl.handle.net/1721.1/113721>`_.
     SILEQIIntegrator
 
 Each of these classes expects a "transport operator" to be passed. OpenMC
-provides The following classes implementing transpor operators:
+provides The following classes implement transport operators:
 
 .. autosummary::
    :toctree: generated
@@ -55,7 +55,7 @@ provides The following classes implementing transpor operators:
 
 The :class:`CoupledOperator` and :class:`IndependentOperator` classes must also
 have some knowledge of how nuclides transmute and decay. This is handled by the 
-:class:`Chain`.
+:class:`Chain` class.
 
 Minimal Example
 ---------------
diff --git a/docs/source/usersguide/depletion.rst b/docs/source/usersguide/depletion.rst
index 29c8114d9..6c3117095 100644
--- a/docs/source/usersguide/depletion.rst
+++ b/docs/source/usersguide/depletion.rst
@@ -21,7 +21,8 @@ material compositions over time. Each method appears as a different class.
 For example, :class:`openmc.deplete.CECMIntegrator` runs a depletion calculation
 using the CE/CM algorithm (deplete over a timestep using the middle-of-step
 reaction rates). An instance of :class:`~openmc.deplete.abc.TransportOperator`
-is passed to one of these functions along with the timesteps and power level::
+is passed to one of these Integrator classes along with the timesteps and power
+level::
 
     power = 1200.0e6  # watts
     timesteps = [10.0, 10.0, 10.0]  # days
diff --git a/openmc/deplete/microxs.py b/openmc/deplete/microxs.py
index 982d0a55f..71e476c2c 100644
--- a/openmc/deplete/microxs.py
+++ b/openmc/deplete/microxs.py
@@ -1,7 +1,7 @@
 """MicroXS module
 
 A pandas.DataFrame storing microscopic cross section data with
-nuclides names as row indices and reaction names as column indices.
+nuclide names as row indices and reaction names as column indices.
 """
 
 import tempfile
@@ -26,7 +26,7 @@ _valid_rxns.append('fission')
 
 class MicroXS(DataFrame):
     """Stores microscopic cross section data for use in
-    independent depletion.
+    transport-independent depletion.
     """
 
     @classmethod

From 527d97916d870662664979c855b66b5139637ead Mon Sep 17 00:00:00 2001
From: Ethan Peterson <ethan.peterson@mit.edu>
Date: Tue, 9 Aug 2022 12:55:41 -0400
Subject: [PATCH 0779/2654] allow settings properties to be set through
 constructor

---
 openmc/settings.py | 5 ++++-
 1 file changed, 4 insertions(+), 1 deletion(-)

diff --git a/openmc/settings.py b/openmc/settings.py
index 47c61e6ae..73b690605 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -222,7 +222,7 @@ class Settings:
         Indicate whether to write the initial source distribution to file
     """
 
-    def __init__(self):
+    def __init__(self, **kwargs):
         self._run_mode = RunMode.EIGENVALUE
         self._batches = None
         self._generations_per_batch = None
@@ -297,6 +297,9 @@ class Settings:
         self._max_splits = None
         self._max_tracks = None
 
+        for key, value in kwargs.items():
+            setattr(self, key, value)
+
     @property
     def run_mode(self) -> str:
         return self._run_mode.value

From 1af84f94de57916cf277e7505bea8d9579ebc750 Mon Sep 17 00:00:00 2001
From: Ethan Peterson <ethan.peterson@mit.edu>
Date: Wed, 10 Aug 2022 08:27:17 -0400
Subject: [PATCH 0780/2654] added docstring info and test

---
 openmc/settings.py                | 172 ++++++++++++++++++++++++++++++
 tests/unit_tests/test_settings.py |   5 +-
 2 files changed, 173 insertions(+), 4 deletions(-)

diff --git a/openmc/settings.py b/openmc/settings.py
index 73b690605..4a796c34f 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -29,6 +29,178 @@ _RES_SCAT_METHODS = ['dbrc', 'rvs']
 class Settings:
     """Settings used for an OpenMC simulation.
 
+    Parameters
+    ----------
+    batches : int, optional
+        Number of batches to simulate
+    confidence_intervals : bool, optional
+        If True, uncertainties on tally results will be reported as the
+        half-width of the 95% two-sided confidence interval. If False,
+        uncertainties on tally results will be reported as the sample standard
+        deviation.
+    create_fission_neutrons : bool, optional
+        Indicate whether fission neutrons should be created or not.
+    cutoff : dict, optional
+        Dictionary defining weight cutoff and energy cutoff. The dictionary may
+        have six keys, 'weight', 'weight_avg', 'energy_neutron', 'energy_photon',
+        'energy_electron', and 'energy_positron'. Value for 'weight'
+        should be a float indicating weight cutoff below which particle undergo
+        Russian roulette. Value for 'weight_avg' should be a float indicating
+        weight assigned to particles that are not killed after Russian
+        roulette. Value of energy should be a float indicating energy in eV
+        below which particle type will be killed.
+    delayed_photon_scaling : bool, optional
+        Indicate whether to scale the fission photon yield by (EGP + EGD)/EGP
+        where EGP is the energy release of prompt photons and EGD is the energy
+        release of delayed photons.
+    electron_treatment : {'led', 'ttb'}, optional
+        Whether to deposit all energy from electrons locally ('led') or create
+        secondary bremsstrahlung photons ('ttb').
+    energy_mode : {'continuous-energy', 'multi-group'}, optional
+        Set whether the calculation should be continuous-energy or multi-group.
+    entropy_mesh : openmc.RegularMesh, optional
+        Mesh to be used to calculate Shannon entropy. If the mesh dimensions are
+        not specified, OpenMC assigns a mesh such that 20 source sites per mesh
+        cell are to be expected on average.
+    event_based : bool, optional
+        Indicate whether to use event-based parallelism instead of the default
+        history-based parallelism.
+    generations_per_batch : int, optional
+        Number of generations per batch
+    max_lost_particles : int, optional
+        Maximum number of lost particles
+    rel_max_lost_particles : float, optional
+        Maximum number of lost particles, relative to the total number of particles
+    inactive : int, optional
+        Number of inactive batches
+    keff_trigger : dict, optional
+        Dictionary defining a trigger on eigenvalue. The dictionary must have
+        two keys, 'type' and 'threshold'. Acceptable values corresponding to
+        type are 'variance', 'std_dev', and 'rel_err'. The threshold value
+        should be a float indicating the variance, standard deviation, or
+        relative error used.
+    log_grid_bins : int, optional
+        Number of bins for logarithmic energy grid search
+    material_cell_offsets : bool, optional
+        Generate an "offset table" for material cells by default. These tables
+        are necessary when a particular instance of a cell needs to be tallied.
+    max_particles_in_flight : int, optional
+        Number of neutrons to run concurrently when using event-based
+        parallelism.
+    max_order : None or int, optional
+        Maximum scattering order to apply globally when in multi-group mode.
+    max_splits : int, optional
+        Maximum number of times a particle can split during a history
+    max_tracks : int, optional
+        Maximum number of tracks written to a track file (per MPI process).
+    no_reduce : bool, optional
+        Indicate that all user-defined and global tallies should not be reduced
+        across processes in a parallel calculation.
+    output : dict, optional
+        Dictionary indicating what files to output. Acceptable keys are:
+
+        :path: String indicating a directory where output files should be
+               written
+        :summary: Whether the 'summary.h5' file should be written (bool)
+        :tallies: Whether the 'tallies.out' file should be written (bool)
+    particles : int, optional
+        Number of particles per generation
+    photon_transport : bool, optional
+        Whether to use photon transport.
+    ptables : bool, optional
+        Determine whether probability tables are used.
+    resonance_scattering : dict, optional
+        Settings for resonance elastic scattering. Accepted keys are 'enable'
+        (bool), 'method' (str), 'energy_min' (float), 'energy_max' (float), and
+        'nuclides' (list). The 'method' can be set to 'dbrc' (Doppler broadening
+        rejection correction) or 'rvs' (relative velocity sampling). If not
+        specified, 'rvs' is the default method. The 'energy_min' and
+        'energy_max' values indicate the minimum and maximum energies above and
+        below which the resonance elastic scattering method is to be
+        applied. The 'nuclides' list indicates what nuclides the method should
+        be applied to. In its absence, the method will be applied to all
+        nuclides with 0 K elastic scattering data present.
+    run_mode : {'eigenvalue', 'fixed source', 'plot', 'volume', 'particle restart'}, optional
+        The type of calculation to perform (default is 'eigenvalue')
+    seed : int, optional
+        Seed for the linear congruential pseudorandom number generator
+    source : Iterable of openmc.Source, optional
+        Distribution of source sites in space, angle, and energy
+    sourcepoint : dict, optional
+        Options for writing source points. Acceptable keys are:
+
+        :batches: list of batches at which to write source
+        :overwrite: bool indicating whether to overwrite
+        :separate: bool indicating whether the source should be written as a
+                   separate file
+        :write: bool indicating whether or not to write the source
+    statepoint : dict, optional
+        Options for writing state points. Acceptable keys are:
+
+        :batches: list of batches at which to write source
+    surf_source_read : dict, optional
+        Options for reading surface source points. Acceptable keys are:
+
+        :path: Path to surface source file (str).
+    surf_source_write : dict, optional
+        Options for writing surface source points. Acceptable keys are:
+
+        :surface_ids: List of surface ids at which crossing particles are to be
+                   banked (int)
+        :max_particles: Maximum number of particles to be banked on
+                   surfaces per process (int)
+    survival_biasing : bool, optional
+        Indicate whether survival biasing is to be used
+    tabular_legendre : dict, optional
+        Determines if a multi-group scattering moment kernel expanded via
+        Legendre polynomials is to be converted to a tabular distribution or
+        not. Accepted keys are 'enable' and 'num_points'. The value for
+        'enable' is a bool stating whether the conversion to tabular is
+        performed; the value for 'num_points' sets the number of points to use
+        in the tabular distribution, should 'enable' be True.
+    temperature : dict, optional
+        Defines a default temperature and method for treating intermediate
+        temperatures at which nuclear data doesn't exist. Accepted keys are
+        'default', 'method', 'range', 'tolerance', and 'multipole'. The value
+        for 'default' should be a float representing the default temperature in
+        Kelvin. The value for 'method' should be 'nearest' or 'interpolation'.
+        If the method is 'nearest', 'tolerance' indicates a range of temperature
+        within which cross sections may be used. The value for 'range' should be
+        a pair a minimum and maximum temperatures which are used to indicate
+        that cross sections be loaded at all temperatures within the
+        range. 'multipole' is a boolean indicating whether or not the windowed
+        multipole method should be used to evaluate resolved resonance cross
+        sections.
+    trace : tuple or list, optional
+        Show detailed information about a single particle, indicated by three
+        integers: the batch number, generation number, and particle number
+    track : tuple or list, optional
+        Specify particles for which track files should be written. Each particle
+        is identified by a tuple with the batch number, generation number, and
+        particle number.
+    trigger_active : bool, optional
+        Indicate whether tally triggers are used
+    trigger_batch_interval : int, optional
+        Number of batches in between convergence checks
+    trigger_max_batches : int, optional
+        Maximum number of batches simulated. If this is set, the number of
+        batches specified via ``batches`` is interpreted as the minimum number
+        of batches
+    ufs_mesh : openmc.RegularMesh, optional
+        Mesh to be used for redistributing source sites via the uniform fission
+        site (UFS) method.
+    verbosity : int, optional
+        Verbosity during simulation between 1 and 10. Verbosity levels are
+        described in :ref:`verbosity`.
+    volume_calculations : VolumeCalculation or iterable of VolumeCalculation, optional
+        Stochastic volume calculation specifications
+    weight_windows : WeightWindows iterable of WeightWindows, optional
+        Weight windows to use for variance reduction
+    weight_windows_on : bool, optional
+        Whether weight windows are enabled
+    write_initial_source : bool, optional
+        Indicate whether to write the initial source distribution to file
+
     Attributes
     ----------
     batches : int
diff --git a/tests/unit_tests/test_settings.py b/tests/unit_tests/test_settings.py
index b21c036fa..7678711a4 100644
--- a/tests/unit_tests/test_settings.py
+++ b/tests/unit_tests/test_settings.py
@@ -3,9 +3,7 @@ import openmc.stats
 
 
 def test_export_to_xml(run_in_tmpdir):
-    s = openmc.Settings()
-    s.run_mode = 'fixed source'
-    s.batches = 1000
+    s = openmc.Settings(run_mode='fixed source', batches=1000, seed=17)
     s.generations_per_batch = 10
     s.inactive = 100
     s.particles = 1000000
@@ -25,7 +23,6 @@ def test_export_to_xml(run_in_tmpdir):
     s.surf_source_write = {'surface_ids': [2], 'max_particles': 200}
     s.confidence_intervals = True
     s.ptables = True
-    s.seed = 17
     s.survival_biasing = True
     s.cutoff = {'weight': 0.25, 'weight_avg': 0.5, 'energy_neutron': 1.0e-5,
                 'energy_photon': 1000.0, 'energy_electron': 1.0e-5,

From 36ecaf9bd6a7fa4e51281881921f3506020a5f38 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Wed, 10 Aug 2022 09:19:08 -0500
Subject: [PATCH 0781/2654] Adding ability to specify starting ID for surfaces
 of the DAGMC bounding region

---
 openmc/universe.py                            | 45 ++++++++++++-------
 .../dagmc/universes/inputs_true.dat           | 14 +++---
 .../regression_tests/dagmc/universes/test.py  |  5 ++-
 3 files changed, 39 insertions(+), 25 deletions(-)

diff --git a/openmc/universe.py b/openmc/universe.py
index 3ef9e6650..aef4d660b 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -2,7 +2,7 @@ from abc import ABC, abstractmethod
 from collections import OrderedDict
 from collections.abc import Iterable
 from copy import deepcopy
-from numbers import Real
+from numbers import Integral, Real
 from pathlib import Path
 from tempfile import TemporaryDirectory
 from xml.etree import ElementTree as ET
@@ -723,7 +723,7 @@ class DAGMCUniverse(UniverseBase):
         dagmc_element.set('filename', self.filename)
         xml_element.append(dagmc_element)
 
-    def bounding_region(self, bounded_type='box', boundary_type='vacuum'):
+    def bounding_region(self, bounded_type='box', boundary_type='vacuum', starting_id=10000):
         """Creates a either a spherical or box shaped bounding region around
         the DAGMC geometry.
         Parameters
@@ -736,6 +736,10 @@ class DAGMCUniverse(UniverseBase):
             Boundary condition that defines the behavior for particles hitting
             the surface. Defaults to vacuum boundary condition. Passed into the
             surface construction.
+        starting_id : int
+            Starting ID of the surface(s) used in the region. For bounded_type
+            'box', the next 5 IDs will also be used. Defaults to 10000 to reduce
+            the chance of an overlap of surface IDs with the DAGMC geometry.
         Returns
         -------
         openmc.Region
@@ -744,19 +748,21 @@ class DAGMCUniverse(UniverseBase):
 
         check_type('boundary type', boundary_type, str)
         check_value('boundary type', boundary_type, _BOUNDARY_TYPES)
+        check_type('starting surface id', starting_id, Integral)
         check_type('bounded type', bounded_type, str)
         check_value('bounded type', bounded_type, ('box', 'sphere'))
 
-        bounding_box = self.bounding_box
+        bbox = self.bounding_box
 
         if bounded_type == 'sphere':
             import math
-            bounding_box_center = (bounding_box[0] + bounding_box[1])/2
-            radius = math.dist(bounding_box[0], bounding_box[1])
+            bbox_center = (bbox[0] + bbox[1])/2
+            radius = math.dist(bbox[0], bbox[1])
             bounding_surface = openmc.Sphere(
-                x0=bounding_box_center[0],
-                y0=bounding_box_center[1],
-                z0=bounding_box_center[2],
+                surface_id=starting_id,
+                x0=bbox_center[0],
+                y0=bbox_center[1],
+                z0=bbox_center[2],
                 boundary_type=boundary_type,
                 r=radius,
             )
@@ -764,15 +770,21 @@ class DAGMCUniverse(UniverseBase):
             return -bounding_surface
 
         if bounded_type == 'box':
+            surf_ids = [starting_id+i for i in range(6)]
             # defines plane surfaces for all six faces of the bounding box
-            lower_x = openmc.XPlane(bounding_box[0][0], boundary_type=boundary_type)
-            upper_x = openmc.XPlane(bounding_box[1][0], boundary_type=boundary_type)
-            lower_y = openmc.YPlane(bounding_box[0][1], boundary_type=boundary_type)
-            upper_y = openmc.YPlane(bounding_box[1][1], boundary_type=boundary_type)
-            lower_z = openmc.ZPlane(bounding_box[0][2], boundary_type=boundary_type)
-            upper_z = openmc.ZPlane(bounding_box[1][2], boundary_type=boundary_type)
+            lower_x = openmc.XPlane(bbox[0][0], surface_id=surf_ids[0])
+            upper_x = openmc.XPlane(bbox[1][0], surface_id=surf_ids[1])
+            lower_y = openmc.YPlane(bbox[0][1], surface_id=surf_ids[2])
+            upper_y = openmc.YPlane(bbox[1][1], surface_id=surf_ids[3])
+            lower_z = openmc.ZPlane(bbox[0][2], surface_id=surf_ids[4])
+            upper_z = openmc.ZPlane(bbox[1][2], surface_id=surf_ids[5])
 
-            return +lower_x & -upper_x & +lower_y & -upper_y & +lower_z & -upper_z
+            region = +lower_x & -upper_x & +lower_y & -upper_y & +lower_z & -upper_z
+
+            for surface in region.get_surfaces().values():
+                surface.boundary_type = boundary_type
+
+            return region
 
     def bounded_universe(self, bounding_cell_id=10000, **kwargs):
         """Returns an openmc.Universe filled with this DAGMCUniverse and bounded
@@ -783,7 +795,7 @@ class DAGMCUniverse(UniverseBase):
         Parameters
         ----------
         bounding_cell_id : int
-            The cell ID number to use for the bounding cell, defaults to 1000 to reduce
+            The cell ID number to use for the bounding cell, defaults to 10000 to reduce
             the chance of overlapping ID numbers with the DAGMC geometry.
 
         Returns
@@ -791,7 +803,6 @@ class DAGMCUniverse(UniverseBase):
         openmc.Universe
             Universe instance
         """
-
         bounding_cell = openmc.Cell(fill=self, cell_id=bounding_cell_id, region=self.bounding_region(**kwargs))
         return openmc.Universe(cells=[bounding_cell])
 
diff --git a/tests/regression_tests/dagmc/universes/inputs_true.dat b/tests/regression_tests/dagmc/universes/inputs_true.dat
index 2165a78b6..ea6ad519b 100644
--- a/tests/regression_tests/dagmc/universes/inputs_true.dat
+++ b/tests/regression_tests/dagmc/universes/inputs_true.dat
@@ -1,6 +1,6 @@
 <?xml version='1.0' encoding='utf-8'?>
 <geometry>
-  <cell fill="12" id="13" region="22 -23 24 -25 26 -27" universe="13" />
+  <cell fill="12" id="13" region="9 -10 11 -12 13 -14" universe="13" />
   <dagmc_universe auto_geom_ids="true" filename="dagmc.h5m" id="9" />
   <lattice id="12">
     <pitch>24.0 24.0</pitch>
@@ -10,12 +10,12 @@
 9 9 
 9 9 </universes>
   </lattice>
-  <surface boundary="reflective" coeffs="-24.0" id="22" name="left" type="x-plane" />
-  <surface boundary="reflective" coeffs="24.0" id="23" name="right" type="x-plane" />
-  <surface boundary="reflective" coeffs="-24.0" id="24" name="front" type="y-plane" />
-  <surface boundary="reflective" coeffs="24.0" id="25" name="back" type="y-plane" />
-  <surface boundary="reflective" coeffs="-10.0" id="26" name="bottom" type="z-plane" />
-  <surface boundary="reflective" coeffs="10.0" id="27" name="top" type="z-plane" />
+  <surface boundary="reflective" coeffs="-24.0" id="9" name="left" type="x-plane" />
+  <surface boundary="reflective" coeffs="24.0" id="10" name="right" type="x-plane" />
+  <surface boundary="reflective" coeffs="-24.0" id="11" name="front" type="y-plane" />
+  <surface boundary="reflective" coeffs="24.0" id="12" name="back" type="y-plane" />
+  <surface boundary="reflective" coeffs="-10.0" id="13" name="bottom" type="z-plane" />
+  <surface boundary="reflective" coeffs="10.0" id="14" name="top" type="z-plane" />
 </geometry>
 <?xml version='1.0' encoding='utf-8'?>
 <materials>
diff --git a/tests/regression_tests/dagmc/universes/test.py b/tests/regression_tests/dagmc/universes/test.py
index f2eb3882f..67c8f962d 100644
--- a/tests/regression_tests/dagmc/universes/test.py
+++ b/tests/regression_tests/dagmc/universes/test.py
@@ -62,8 +62,10 @@ class DAGMCUniverseTest(PyAPITestHarness):
         b_region = pincell_univ.bounding_region(bounded_type='box', boundary_type='vacuum')
         assert isinstance(b_region, openmc.Region)
         assert len(b_region.get_surfaces()) == 6
-        for surface in list(b_region.get_surfaces().values()):
+        starting_id = 10000
+        for i, surface in enumerate(b_region.get_surfaces().values()):
             assert surface.boundary_type == 'vacuum'
+            assert surface.id == 10000 + i
 
         # checks that the bounding region is a single surface with a reflective boundary type
         b_region = pincell_univ.bounding_region(bounded_type='sphere', boundary_type='reflective')
@@ -71,6 +73,7 @@ class DAGMCUniverseTest(PyAPITestHarness):
         assert len(b_region.get_surfaces()) == 1
         for surface in list(b_region.get_surfaces().values()):
             assert surface.boundary_type == 'reflective'
+            assert surface.id == 10000
 
         # create a 2 x 2 lattice using the DAGMC pincell
         pitch = np.asarray((24.0, 24.0))

From 5861ba53226e3ae269ee67397307fbf8213f664c Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Wed, 10 Aug 2022 16:43:34 +0100
Subject: [PATCH 0782/2654] minor typo fix

---
 src/dagmc.cpp | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/src/dagmc.cpp b/src/dagmc.cpp
index dc3bc2b2c..0e04869fd 100644
--- a/src/dagmc.cpp
+++ b/src/dagmc.cpp
@@ -745,7 +745,7 @@ namespace openmc {
 void read_dagmc_universes(pugi::xml_node node)
 {
   if (check_for_node(node, "dagmc_universe")) {
-    fatal_error("DAGMC Universes are present but OpenMC was not configured"
+    fatal_error("DAGMC Universes are present but OpenMC was not configured "
                 "with DAGMC");
   }
 };

From 6bd4a7134134abd1bbf1078d48147dca29d67694 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Wed, 10 Aug 2022 10:56:22 -0500
Subject: [PATCH 0783/2654] add clarifying comment to _IndependentRateHelper

---
 openmc/deplete/independent_operator.py | 6 ++++--
 1 file changed, 4 insertions(+), 2 deletions(-)

diff --git a/openmc/deplete/independent_operator.py b/openmc/deplete/independent_operator.py
index d84dcb16f..a2d89e441 100644
--- a/openmc/deplete/independent_operator.py
+++ b/openmc/deplete/independent_operator.py
@@ -321,8 +321,10 @@ class IndependentOperator(OpenMCOperator):
                 nuc = self.nuc_ind_map[i_nuc]
                 rxn = self.rxn_ind_map[i_react]
                 density = self._op.number.get_atom_density(mat_id, nuc)
-                self._results_cache[i_nuc,
-                                    i_react] = self._op.cross_sections[rxn][nuc] * density * volume
+
+                # Sigma^j_i * V = sigma^j_i * rho * V
+                self._results_cache[i_nuc,i_react] = \
+                    self._op.cross_sections[rxn][nuc] * density * volume
 
             return self._results_cache
 

From 2144ec271fa3625c74c90881d9c5e5589fe77db6 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Wed, 10 Aug 2022 10:57:23 -0500
Subject: [PATCH 0784/2654] fix flux equation in depletion userguide

---
 docs/source/usersguide/depletion.rst | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/docs/source/usersguide/depletion.rst b/docs/source/usersguide/depletion.rst
index 6c3117095..ee0d09b8d 100644
--- a/docs/source/usersguide/depletion.rst
+++ b/docs/source/usersguide/depletion.rst
@@ -319,7 +319,7 @@ normalizing reaction rates:
 
    .. math::
 
-      \phi = \frac{P}{V \cdot \sum_i (Q_i \cdot \Sigma^f_i \cdot \rho_i)}
+      \phi = \frac{P}{V \cdot \sum_i (Q_i \cdot \sigma^f_i \cdot \rho_i)}
 
    where :math:`\sum_i` is the sum over all nuclides :math:`i`. This equation
    makes the same assumptions and issues as discussed in

From d23541f5ed523d0a5a7f268c238435fb7c9c2487 Mon Sep 17 00:00:00 2001
From: Ethan Peterson <ethan.peterson@mit.edu>
Date: Wed, 10 Aug 2022 13:00:35 -0400
Subject: [PATCH 0785/2654] simplify docstring

---
 openmc/settings.py | 171 +--------------------------------------------
 1 file changed, 2 insertions(+), 169 deletions(-)

diff --git a/openmc/settings.py b/openmc/settings.py
index 4a796c34f..4372e679f 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -31,175 +31,8 @@ class Settings:
 
     Parameters
     ----------
-    batches : int, optional
-        Number of batches to simulate
-    confidence_intervals : bool, optional
-        If True, uncertainties on tally results will be reported as the
-        half-width of the 95% two-sided confidence interval. If False,
-        uncertainties on tally results will be reported as the sample standard
-        deviation.
-    create_fission_neutrons : bool, optional
-        Indicate whether fission neutrons should be created or not.
-    cutoff : dict, optional
-        Dictionary defining weight cutoff and energy cutoff. The dictionary may
-        have six keys, 'weight', 'weight_avg', 'energy_neutron', 'energy_photon',
-        'energy_electron', and 'energy_positron'. Value for 'weight'
-        should be a float indicating weight cutoff below which particle undergo
-        Russian roulette. Value for 'weight_avg' should be a float indicating
-        weight assigned to particles that are not killed after Russian
-        roulette. Value of energy should be a float indicating energy in eV
-        below which particle type will be killed.
-    delayed_photon_scaling : bool, optional
-        Indicate whether to scale the fission photon yield by (EGP + EGD)/EGP
-        where EGP is the energy release of prompt photons and EGD is the energy
-        release of delayed photons.
-    electron_treatment : {'led', 'ttb'}, optional
-        Whether to deposit all energy from electrons locally ('led') or create
-        secondary bremsstrahlung photons ('ttb').
-    energy_mode : {'continuous-energy', 'multi-group'}, optional
-        Set whether the calculation should be continuous-energy or multi-group.
-    entropy_mesh : openmc.RegularMesh, optional
-        Mesh to be used to calculate Shannon entropy. If the mesh dimensions are
-        not specified, OpenMC assigns a mesh such that 20 source sites per mesh
-        cell are to be expected on average.
-    event_based : bool, optional
-        Indicate whether to use event-based parallelism instead of the default
-        history-based parallelism.
-    generations_per_batch : int, optional
-        Number of generations per batch
-    max_lost_particles : int, optional
-        Maximum number of lost particles
-    rel_max_lost_particles : float, optional
-        Maximum number of lost particles, relative to the total number of particles
-    inactive : int, optional
-        Number of inactive batches
-    keff_trigger : dict, optional
-        Dictionary defining a trigger on eigenvalue. The dictionary must have
-        two keys, 'type' and 'threshold'. Acceptable values corresponding to
-        type are 'variance', 'std_dev', and 'rel_err'. The threshold value
-        should be a float indicating the variance, standard deviation, or
-        relative error used.
-    log_grid_bins : int, optional
-        Number of bins for logarithmic energy grid search
-    material_cell_offsets : bool, optional
-        Generate an "offset table" for material cells by default. These tables
-        are necessary when a particular instance of a cell needs to be tallied.
-    max_particles_in_flight : int, optional
-        Number of neutrons to run concurrently when using event-based
-        parallelism.
-    max_order : None or int, optional
-        Maximum scattering order to apply globally when in multi-group mode.
-    max_splits : int, optional
-        Maximum number of times a particle can split during a history
-    max_tracks : int, optional
-        Maximum number of tracks written to a track file (per MPI process).
-    no_reduce : bool, optional
-        Indicate that all user-defined and global tallies should not be reduced
-        across processes in a parallel calculation.
-    output : dict, optional
-        Dictionary indicating what files to output. Acceptable keys are:
-
-        :path: String indicating a directory where output files should be
-               written
-        :summary: Whether the 'summary.h5' file should be written (bool)
-        :tallies: Whether the 'tallies.out' file should be written (bool)
-    particles : int, optional
-        Number of particles per generation
-    photon_transport : bool, optional
-        Whether to use photon transport.
-    ptables : bool, optional
-        Determine whether probability tables are used.
-    resonance_scattering : dict, optional
-        Settings for resonance elastic scattering. Accepted keys are 'enable'
-        (bool), 'method' (str), 'energy_min' (float), 'energy_max' (float), and
-        'nuclides' (list). The 'method' can be set to 'dbrc' (Doppler broadening
-        rejection correction) or 'rvs' (relative velocity sampling). If not
-        specified, 'rvs' is the default method. The 'energy_min' and
-        'energy_max' values indicate the minimum and maximum energies above and
-        below which the resonance elastic scattering method is to be
-        applied. The 'nuclides' list indicates what nuclides the method should
-        be applied to. In its absence, the method will be applied to all
-        nuclides with 0 K elastic scattering data present.
-    run_mode : {'eigenvalue', 'fixed source', 'plot', 'volume', 'particle restart'}, optional
-        The type of calculation to perform (default is 'eigenvalue')
-    seed : int, optional
-        Seed for the linear congruential pseudorandom number generator
-    source : Iterable of openmc.Source, optional
-        Distribution of source sites in space, angle, and energy
-    sourcepoint : dict, optional
-        Options for writing source points. Acceptable keys are:
-
-        :batches: list of batches at which to write source
-        :overwrite: bool indicating whether to overwrite
-        :separate: bool indicating whether the source should be written as a
-                   separate file
-        :write: bool indicating whether or not to write the source
-    statepoint : dict, optional
-        Options for writing state points. Acceptable keys are:
-
-        :batches: list of batches at which to write source
-    surf_source_read : dict, optional
-        Options for reading surface source points. Acceptable keys are:
-
-        :path: Path to surface source file (str).
-    surf_source_write : dict, optional
-        Options for writing surface source points. Acceptable keys are:
-
-        :surface_ids: List of surface ids at which crossing particles are to be
-                   banked (int)
-        :max_particles: Maximum number of particles to be banked on
-                   surfaces per process (int)
-    survival_biasing : bool, optional
-        Indicate whether survival biasing is to be used
-    tabular_legendre : dict, optional
-        Determines if a multi-group scattering moment kernel expanded via
-        Legendre polynomials is to be converted to a tabular distribution or
-        not. Accepted keys are 'enable' and 'num_points'. The value for
-        'enable' is a bool stating whether the conversion to tabular is
-        performed; the value for 'num_points' sets the number of points to use
-        in the tabular distribution, should 'enable' be True.
-    temperature : dict, optional
-        Defines a default temperature and method for treating intermediate
-        temperatures at which nuclear data doesn't exist. Accepted keys are
-        'default', 'method', 'range', 'tolerance', and 'multipole'. The value
-        for 'default' should be a float representing the default temperature in
-        Kelvin. The value for 'method' should be 'nearest' or 'interpolation'.
-        If the method is 'nearest', 'tolerance' indicates a range of temperature
-        within which cross sections may be used. The value for 'range' should be
-        a pair a minimum and maximum temperatures which are used to indicate
-        that cross sections be loaded at all temperatures within the
-        range. 'multipole' is a boolean indicating whether or not the windowed
-        multipole method should be used to evaluate resolved resonance cross
-        sections.
-    trace : tuple or list, optional
-        Show detailed information about a single particle, indicated by three
-        integers: the batch number, generation number, and particle number
-    track : tuple or list, optional
-        Specify particles for which track files should be written. Each particle
-        is identified by a tuple with the batch number, generation number, and
-        particle number.
-    trigger_active : bool, optional
-        Indicate whether tally triggers are used
-    trigger_batch_interval : int, optional
-        Number of batches in between convergence checks
-    trigger_max_batches : int, optional
-        Maximum number of batches simulated. If this is set, the number of
-        batches specified via ``batches`` is interpreted as the minimum number
-        of batches
-    ufs_mesh : openmc.RegularMesh, optional
-        Mesh to be used for redistributing source sites via the uniform fission
-        site (UFS) method.
-    verbosity : int, optional
-        Verbosity during simulation between 1 and 10. Verbosity levels are
-        described in :ref:`verbosity`.
-    volume_calculations : VolumeCalculation or iterable of VolumeCalculation, optional
-        Stochastic volume calculation specifications
-    weight_windows : WeightWindows iterable of WeightWindows, optional
-        Weight windows to use for variance reduction
-    weight_windows_on : bool, optional
-        Whether weight windows are enabled
-    write_initial_source : bool, optional
-        Indicate whether to write the initial source distribution to file
+    **kwargs : dict, optional
+        Any keyword arguments are used to set attributes on the instance.
 
     Attributes
     ----------

From dcbaa59cdbd83322881878377901f8f303d60a6b Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Wed, 10 Aug 2022 13:30:22 -0500
Subject: [PATCH 0786/2654] Using numpy rather than impoting math

---
 openmc/universe.py | 3 +--
 1 file changed, 1 insertion(+), 2 deletions(-)

diff --git a/openmc/universe.py b/openmc/universe.py
index aef4d660b..58b880280 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -755,9 +755,8 @@ class DAGMCUniverse(UniverseBase):
         bbox = self.bounding_box
 
         if bounded_type == 'sphere':
-            import math
             bbox_center = (bbox[0] + bbox[1])/2
-            radius = math.dist(bbox[0], bbox[1])
+            radius = np.linalg.norm(np.asarray(bbox))
             bounding_surface = openmc.Sphere(
                 surface_id=starting_id,
                 x0=bbox_center[0],

From 8140ff492c5a25b6908f4f1178e2677c436cb592 Mon Sep 17 00:00:00 2001
From: lewisgross1296 <ligross@wisc.edu>
Date: Wed, 10 Aug 2022 14:23:26 -0500
Subject: [PATCH 0787/2654] added some commenting and the extern
 remove_tally_from_tallies function

---
 include/openmc/tallies/tally.h |  4 ++--
 src/tallies/tally.cpp          | 11 +++++++++++
 2 files changed, 13 insertions(+), 2 deletions(-)

diff --git a/include/openmc/tallies/tally.h b/include/openmc/tallies/tally.h
index 73618a3da..46284dea2 100644
--- a/include/openmc/tallies/tally.h
+++ b/include/openmc/tallies/tally.h
@@ -47,9 +47,9 @@ public:
 
   void set_nuclides(const vector<std::string>& nuclides);
 
-  const vector<int32_t>& filters() const { return filters_; }
+  const vector<int32_t>& filters() const { return filters_; } // returns vector of inidices corresponding to the tally this is called on
 
-  int32_t filters(int i) const { return filters_[i]; }
+  int32_t filters(int i) const { return filters_[i]; } // i corresponds to the index of the filter for this tally
 
   void set_filters(gsl::span<Filter*> filters);
 
diff --git a/src/tallies/tally.cpp b/src/tallies/tally.cpp
index c0fedd973..82b526b4e 100644
--- a/src/tallies/tally.cpp
+++ b/src/tallies/tally.cpp
@@ -46,6 +46,8 @@ namespace openmc {
 //==============================================================================
 
 namespace model {
+// map: key (tally ID) to value (tally index)
+// index coresponds to the tally ID's posiition in the tallies vector
 std::unordered_map<int, int> tally_map;
 vector<unique_ptr<Tally>> tallies;
 vector<int> active_tallies;
@@ -1271,4 +1273,13 @@ extern "C" size_t tallies_size()
   return model::tallies.size();
 }
 
+// given a tally ID, remove it from the tallies vector
+extern "C" void remove_tally_from_tallies(int32_t id)
+{
+  // query map for index corersponding to the given id
+  int index = model::tally_map[id];
+  // delete the tally
+  model::tallies.erase(index);
+}
+
 } // namespace openmc

From b93642ff74253033cc16693f6a1c61537b207b7b Mon Sep 17 00:00:00 2001
From: Olek <45364492+yardasol@users.noreply.github.com>
Date: Wed, 10 Aug 2022 14:32:42 -0500
Subject: [PATCH 0788/2654] fix density variable

---
 docs/source/usersguide/depletion.rst | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/docs/source/usersguide/depletion.rst b/docs/source/usersguide/depletion.rst
index ee0d09b8d..229e90a4c 100644
--- a/docs/source/usersguide/depletion.rst
+++ b/docs/source/usersguide/depletion.rst
@@ -319,7 +319,7 @@ normalizing reaction rates:
 
    .. math::
 
-      \phi = \frac{P}{V \cdot \sum_i (Q_i \cdot \sigma^f_i \cdot \rho_i)}
+      \phi = \frac{P}{V \cdot \sum_i (Q_i \cdot \sigma^f_i \cdot \n_i)}
 
    where :math:`\sum_i` is the sum over all nuclides :math:`i`. This equation
    makes the same assumptions and issues as discussed in

From 9d146a3e0f657a7d02c231a13cdff65b025b0ded Mon Sep 17 00:00:00 2001
From: lewisgross1296 <ligross@wisc.edu>
Date: Wed, 10 Aug 2022 15:44:00 -0500
Subject: [PATCH 0789/2654] added openmc_remove_tally_from_tallies to C++ API
 in tally.py

---
 openmc/lib/tally.py | 3 +++
 1 file changed, 3 insertions(+)

diff --git a/openmc/lib/tally.py b/openmc/lib/tally.py
index df28cb5dc..d839d6ddc 100644
--- a/openmc/lib/tally.py
+++ b/openmc/lib/tally.py
@@ -87,6 +87,9 @@ _dll.openmc_tally_set_type.errcheck = _error_handler
 _dll.openmc_tally_set_writable.argtypes = [c_int32, c_bool]
 _dll.openmc_tally_set_writable.restype = c_int
 _dll.openmc_tally_set_writable.errcheck = _error_handler
+_dll.openmc_remove_tally_from_tallies.argtypes = [c_int32]
+_dll.openmc_remove_tally_from_tallies.restype = None
+_dll.openmc_remove_tally_from_tallies.errcheck = _error_handler
 _dll.tallies_size.restype = c_size_t
 
 

From 8969b9b4e9fe99ac0926e2e67586b0573f2519c4 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Wed, 10 Aug 2022 15:53:40 -0500
Subject: [PATCH 0790/2654] remove unneeded parameter from update

---
 openmc/deplete/abc.py             | 4 +---
 openmc/deplete/helpers.py         | 4 +---
 openmc/deplete/openmc_operator.py | 4 ++--
 3 files changed, 4 insertions(+), 8 deletions(-)

diff --git a/openmc/deplete/abc.py b/openmc/deplete/abc.py
index e3587f052..3e2c37ece 100644
--- a/openmc/deplete/abc.py
+++ b/openmc/deplete/abc.py
@@ -331,7 +331,7 @@ class NormalizationHelper(ABC):
             `fission_rates` for :meth:`update`.
         """
 
-    def update(self, fission_rates, mat_index=None):
+    def update(self, fission_rates):
         """Update the normalization based on fission rates (only used for
         energy-based normalization)
 
@@ -341,8 +341,6 @@ class NormalizationHelper(ABC):
             fission reaction rate for each isotope in the specified
             material. Should be ordered corresponding to initial
             ``rate_index`` used in :meth:`prepare`
-        mat_index : int
-            Material index
         """
 
     @property
diff --git a/openmc/deplete/helpers.py b/openmc/deplete/helpers.py
index 1e382576e..3a7928a52 100644
--- a/openmc/deplete/helpers.py
+++ b/openmc/deplete/helpers.py
@@ -426,7 +426,7 @@ class ChainFissionHelper(EnergyNormalizationHelper):
 
         self._fission_q_vector = fission_qs
 
-    def update(self, fission_rates, mat_index=None):
+    def update(self, fission_rates):
         """Update energy produced with fission rates in a material
 
         Parameters
@@ -435,8 +435,6 @@ class ChainFissionHelper(EnergyNormalizationHelper):
             fission reaction rate for each isotope in the specified
             material. Should be ordered corresponding to initial
             ``rate_index`` used in :meth:`prepare`
-        mat_index : int
-            Unused
         """
         self._energy += dot(fission_rates, self._fission_q_vector)
 
diff --git a/openmc/deplete/openmc_operator.py b/openmc/deplete/openmc_operator.py
index 6e6f8dd8d..c34065078 100644
--- a/openmc/deplete/openmc_operator.py
+++ b/openmc/deplete/openmc_operator.py
@@ -528,13 +528,13 @@ class OpenMCOperator(TransportOperator):
             # Accumulate energy from fission
             if fission_ind is not None:
                 self._normalization_helper.update(
-                    tally_rates[:, fission_ind],
-                    mat_index=mat_index)
+                    tally_rates[:, fission_ind])
 
             # Divide by total number and store
             rates[i] = self._rate_helper.divide_by_adens(number)
 
         # Scale reaction rates to obtain units of reactions/sec
+        print(f"flux, power, or source rate: {self._normalization_helper.factor(source_rate)}")
         rates *= self._normalization_helper.factor(source_rate)
 
         # Store new fission yields on the chain

From e3e2c301afdb7838d14521c4eefc113965a24acd Mon Sep 17 00:00:00 2001
From: lewisgross1296 <ligross@wisc.edu>
Date: Wed, 10 Aug 2022 15:59:22 -0500
Subject: [PATCH 0791/2654] forgot to prefix function with openmc. all other
 extern functions do this,so I changed it to be parallel

---
 src/tallies/tally.cpp | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/src/tallies/tally.cpp b/src/tallies/tally.cpp
index 82b526b4e..4384d62c7 100644
--- a/src/tallies/tally.cpp
+++ b/src/tallies/tally.cpp
@@ -1274,7 +1274,7 @@ extern "C" size_t tallies_size()
 }
 
 // given a tally ID, remove it from the tallies vector
-extern "C" void remove_tally_from_tallies(int32_t id)
+extern "C" void openmc_remove_tally_from_tallies(int32_t id)
 {
   // query map for index corersponding to the given id
   int index = model::tally_map[id];

From 6d9d665e53569110894f1d7896304cbed4d8a90e Mon Sep 17 00:00:00 2001
From: lewisgross1296 <ligross@wisc.edu>
Date: Wed, 10 Aug 2022 16:29:33 -0500
Subject: [PATCH 0792/2654] added new action to delete a tally as well as an
 assertion that the length is zero after deletion

---
 tests/unit_tests/test_tallies.py | 3 +++
 1 file changed, 3 insertions(+)

diff --git a/tests/unit_tests/test_tallies.py b/tests/unit_tests/test_tallies.py
index bfff741a9..77aef78b4 100644
--- a/tests/unit_tests/test_tallies.py
+++ b/tests/unit_tests/test_tallies.py
@@ -39,3 +39,6 @@ def test_xml_roundtrip(run_in_tmpdir):
     assert new_tally.triggers[0].trigger_type == tally.triggers[0].trigger_type
     assert new_tally.triggers[0].threshold == tally.triggers[0].threshold
     assert new_tally.triggers[0].scores == tally.triggers[0].scores
+    # delete tally and check that new_tallies now has length zero
+    new_tally.openmc_remove_tally_from_tallies(tally.id)
+    assert len(new_tallies) == 0
\ No newline at end of file

From 8887023b22239404c1a5d1e47883ea1231c1db9c Mon Sep 17 00:00:00 2001
From: lewisgross1296 <ligross@wisc.edu>
Date: Wed, 10 Aug 2022 16:45:53 -0500
Subject: [PATCH 0793/2654] accidental typo

---
 src/tallies/tally.cpp | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/src/tallies/tally.cpp b/src/tallies/tally.cpp
index 4384d62c7..f5edf75b2 100644
--- a/src/tallies/tally.cpp
+++ b/src/tallies/tally.cpp
@@ -47,7 +47,7 @@ namespace openmc {
 
 namespace model {
 // map: key (tally ID) to value (tally index)
-// index coresponds to the tally ID's posiition in the tallies vector
+// index coresponds to the tally ID's position in the tallies vector
 std::unordered_map<int, int> tally_map;
 vector<unique_ptr<Tally>> tallies;
 vector<int> active_tallies;

From 99027fdd1531d634ca53af83e9e006df331ad9f5 Mon Sep 17 00:00:00 2001
From: lewisgross1296 <ligross@wisc.edu>
Date: Wed, 10 Aug 2022 17:35:30 -0500
Subject: [PATCH 0794/2654] erase needs an iterator, so feed it
 model::tallies.begin()+index

---
 src/tallies/tally.cpp | 6 +++---
 1 file changed, 3 insertions(+), 3 deletions(-)

diff --git a/src/tallies/tally.cpp b/src/tallies/tally.cpp
index f5edf75b2..0df00bbe7 100644
--- a/src/tallies/tally.cpp
+++ b/src/tallies/tally.cpp
@@ -1277,9 +1277,9 @@ extern "C" size_t tallies_size()
 extern "C" void openmc_remove_tally_from_tallies(int32_t id)
 {
   // query map for index corersponding to the given id
-  int index = model::tally_map[id];
-  // delete the tally
-  model::tallies.erase(index);
+  int32_t index = model::tally_map[id];
+  // delete the tally via iterator pointing to correct position
+  model::tallies.erase(model::tallies.begin() + index);
 }
 
 } // namespace openmc

From 9abbff92c081ee66fd818e0019893481df30895d Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Wed, 10 Aug 2022 23:06:47 -0500
Subject: [PATCH 0795/2654] Adding warnings for use of old CMake build options.

---
 CMakeLists.txt | 26 ++++++++++++++++++++++++++
 1 file changed, 26 insertions(+)

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 85dcd7084..a0e788c13 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -37,6 +37,32 @@ option(OPENMC_USE_DAGMC       "Enable support for DAGMC (CAD) geometry"
 option(OPENMC_USE_LIBMESH     "Enable support for libMesh unstructured mesh tallies" OFF)
 option(OPENMC_USE_MPI         "Enable MPI"                                           OFF)
 
+# Warnings for deprecated options
+foreach(OLD_OPT IN ITEMS "openmp" "profile" "coverage" "dagmc" "libmesh")
+  if(DEFINED ${OLD_OPT})
+    string(TOUPPER ${OLD_OPT} OPT_UPPER)
+    message(WARNING "The OpenMC CMake option '${OLD_OPT}' has been deprecated. "
+      "Its value will be ignored. "
+      "Please use '-DOPENMC_USE_${OPT_UPPER}=${${OLD_OPT}}' instead.")
+    unset(${OLD_OPT} CACHE)
+  endif()
+endforeach()
+
+foreach(OLD_BLD in ITEMS "debug" "optimize")
+  if(DEFINED ${OLD_BLD})
+    if("${OLD_BLD}" EQUAL "debug")
+      set(BLD_VAR "Deubg")
+    else()
+      set(BLD_VAR "Release")
+    endif()
+    message(WARNING "The OpenMC CMake option '${OLD_BLD}' has been deprecated. "
+      "Its value will be ignored. "
+      "OpenMC now uses the CMAKE_BUILD_TYPE variable to set the build mode. "
+      "Please use '-DCMAKE_BUILD_TYPE=${BLD_VAR}' instead.")
+    unset(${OLD_BLD} CACHE)
+  endif()
+endforeach()
+
 #===============================================================================
 # Set a default build configuration if not explicitly specified
 #===============================================================================

From f9b2c21d59241990ca28fcb604b9ef7ca2c97f7c Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 10 Aug 2022 23:12:01 -0500
Subject: [PATCH 0796/2654] Fix potential bug with nuclide densities in
 Results.export_to_materials

---
 openmc/deplete/results.py | 9 +++++++++
 1 file changed, 9 insertions(+)

diff --git a/openmc/deplete/results.py b/openmc/deplete/results.py
index b89bae088..c2138b55c 100644
--- a/openmc/deplete/results.py
+++ b/openmc/deplete/results.py
@@ -417,7 +417,16 @@ class Results(list):
             mat_id = str(mat.id)
             if mat_id in result.mat_to_ind:
                 mat.volume = result.volume[mat_id]
+
+                # Change density of all nuclides in material to atom/b-cm
+                atoms_per_barn_cm = mat.get_nuclide_atom_densities()
+                for nuc, value in atoms_per_barn_cm.items():
+                    mat.remove_nuclide(nuc)
+                    mat.add_nuclide(nuc, value)
                 mat.set_density('sum')
+
+                # For nuclides in chain that have cross sections, replace
+                # density in original material with new density from results
                 for nuc in result.nuc_to_ind:
                     if nuc not in available_cross_sections:
                         continue

From 84c25272b6a2e465138f1141d4a9539a3594dce1 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 11 Aug 2022 06:39:49 -0400
Subject: [PATCH 0797/2654] Apply suggestions from @shimwell

Co-authored-by: Jonathan Shimwell <drshimwell@gmail.com>
---
 openmc/universe.py | 12 ++++++------
 1 file changed, 6 insertions(+), 6 deletions(-)

diff --git a/openmc/universe.py b/openmc/universe.py
index 58b880280..4317a3dd7 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -771,12 +771,12 @@ class DAGMCUniverse(UniverseBase):
         if bounded_type == 'box':
             surf_ids = [starting_id+i for i in range(6)]
             # defines plane surfaces for all six faces of the bounding box
-            lower_x = openmc.XPlane(bbox[0][0], surface_id=surf_ids[0])
-            upper_x = openmc.XPlane(bbox[1][0], surface_id=surf_ids[1])
-            lower_y = openmc.YPlane(bbox[0][1], surface_id=surf_ids[2])
-            upper_y = openmc.YPlane(bbox[1][1], surface_id=surf_ids[3])
-            lower_z = openmc.ZPlane(bbox[0][2], surface_id=surf_ids[4])
-            upper_z = openmc.ZPlane(bbox[1][2], surface_id=surf_ids[5])
+            lower_x = openmc.XPlane(bbox[0][0], surface_id=starting_id)
+            upper_x = openmc.XPlane(bbox[1][0], surface_id=starting_id+1)
+            lower_y = openmc.YPlane(bbox[0][1], surface_id=starting_id+2)
+            upper_y = openmc.YPlane(bbox[1][1], surface_id=starting_id+3)
+            lower_z = openmc.ZPlane(bbox[0][2], surface_id=starting_id+4)
+            upper_z = openmc.ZPlane(bbox[1][2], surface_id=starting_id+5)
 
             region = +lower_x & -upper_x & +lower_y & -upper_y & +lower_z & -upper_z
 

From 4f93f26d8136f4bcb1d28bb9301c6b4c690b4042 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 11 Aug 2022 06:41:23 -0500
Subject: [PATCH 0798/2654] Using valid entries of connectivity only

---
 openmc/mesh.py | 12 +++++-------
 1 file changed, 5 insertions(+), 7 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index daff4dedc..af830158c 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -1476,7 +1476,7 @@ class UnstructuredMesh(MeshBase):
         Coordinates of the mesh vertices with array shape (n_elements, 3)
 
         .. versionadded:: 0.13.1
-    connectivity : numpy.ndarray 
+    connectivity : numpy.ndarray
         Connectivity of the elements with array shape (n_elements, 8)
 
         .. versionadded:: 0.13.1
@@ -1562,10 +1562,6 @@ class UnstructuredMesh(MeshBase):
     def total_volume(self):
         return np.sum(self.volumes)
 
-    @property
-    def centroids(self):
-        return self._centroids
-
     @property
     def vertices(self):
         return self._vertices
@@ -1628,8 +1624,8 @@ class UnstructuredMesh(MeshBase):
         Parameters
         ----------
         bin : int
-            Bin ID for the returned centroid 
-        
+            Bin ID for the returned centroid
+
         Returns
         -------
         numpy.ndarray
@@ -1637,6 +1633,8 @@ class UnstructuredMesh(MeshBase):
 
         """
         conn = self.connectivity[bin]
+        # remove invalid connectivity values
+        conn = conn[conn >= 0]
         coords = self.vertices[conn]
         return coords.mean(axis=0)
 

From ca99195e8172d761042ac88e17efc28b303b29a5 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 11 Aug 2022 07:27:04 -0500
Subject: [PATCH 0799/2654] Fix Mixture.sample to account for intensities of
 underlying distributions

---
 openmc/stats/univariate.py     | 26 +++++++++++++++++++++++---
 tests/unit_tests/test_stats.py |  6 +++++-
 2 files changed, 28 insertions(+), 4 deletions(-)

diff --git a/openmc/stats/univariate.py b/openmc/stats/univariate.py
index 58b7c6172..0c3052625 100644
--- a/openmc/stats/univariate.py
+++ b/openmc/stats/univariate.py
@@ -79,6 +79,18 @@ class Univariate(EqualityMixin, ABC):
         """
         pass
 
+    def integral(self):
+        """Return integral of distribution
+
+        .. versionadded:: 0.13.1
+
+        Returns
+        -------
+        float
+            Integral of distribution
+        """
+        return 1.0
+
 
 class Discrete(Univariate):
     """Distribution characterized by a probability mass function.
@@ -1168,9 +1180,17 @@ class Mixture(Univariate):
 
     def sample(self, n_samples=1, seed=None):
         np.random.seed(seed)
-        idx = np.random.choice(range(len(self.distribution)),
-                               n_samples, p=self.probability)
 
+        # Get probability of each distribution accounting for its intensity
+        p = np.array([prob*dist.integral() for prob, dist in
+                      zip(self.probability, self.distribution)])
+        p /= p.sum()
+
+        # Sample from the distributions
+        idx = np.random.choice(range(len(self.distribution)),
+                               n_samples, p=p)
+
+        # Draw samples from the distributions sampled above
         out = np.empty_like(idx, dtype=float)
         for i in np.unique(idx):
             n_dist_samples = np.count_nonzero(idx == i)
@@ -1294,7 +1314,7 @@ def combine_distributions(dists, probs):
 
     # Combine discrete and continuous if present
     if len(dist_list) > 1:
-        probs = [d.integral() for d in dist_list]
+        probs = [1.0]*len(dist_list)
         dist_list[:] = [Mixture(probs, dist_list.copy())]
 
     return dist_list[0]
diff --git a/tests/unit_tests/test_stats.py b/tests/unit_tests/test_stats.py
index b8bb94f37..dbf06d0b5 100644
--- a/tests/unit_tests/test_stats.py
+++ b/tests/unit_tests/test_stats.py
@@ -61,12 +61,14 @@ def test_merge_discrete():
     assert merged.x == pytest.approx([0.0, 0.5, 1.0, 5.0, 10.0])
     assert merged.p == pytest.approx(
         [0.6*0.3, 0.4*0.4, 0.6*0.2 + 0.4*0.5, 0.4*0.1, 0.6*0.5])
+    assert merged.integral() == pytest.approx(1.0)
 
     # Probabilities add up but are not normalized
     d1 = openmc.stats.Discrete([3.0], [1.0])
     triple = openmc.stats.Discrete.merge([d1, d1, d1], [1.0, 2.0, 3.0])
     assert triple.x == pytest.approx([3.0])
     assert triple.p == pytest.approx([6.0])
+    assert triple.integral() == pytest.approx(6.0)
 
 
 def test_uniform():
@@ -186,6 +188,7 @@ def test_tabular():
     # test histogram sampling
     d = openmc.stats.Tabular(x, p, interpolation='histogram')
     d.normalize()
+    assert d.integral() == pytest.approx(1.0)
 
     samples = d.sample(n_samples, seed=100)
     diff = np.abs(samples - d.mean())
@@ -433,8 +436,9 @@ def test_combine_distributions():
     t2 = openmc.stats.Tabular([0., 1.], [0.0, 2.0])
     d1 = openmc.stats.Discrete([0.0], [1.0])
     combined = openmc.stats.combine_distributions([t1, t2, d1], [0.25, 0.25, 0.5])
+    assert combined.integral() == pytest.approx(1.0)
 
     # Sample the combined distribution and make sure the sample mean is within
     # uncertainty of the expected value
-    samples = combined.sample(1000)
+    samples = combined.sample(10_000)
     assert_sample_mean(samples, 0.25)

From 246a551feaf7eb2b0246a2947fd89d103bbc1d71 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 11 Aug 2022 08:36:46 -0400
Subject: [PATCH 0800/2654] Update openmc/universe.py

Co-authored-by: Jonathan Shimwell <drshimwell@gmail.com>
---
 openmc/universe.py | 1 -
 1 file changed, 1 deletion(-)

diff --git a/openmc/universe.py b/openmc/universe.py
index 4317a3dd7..727e7a096 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -769,7 +769,6 @@ class DAGMCUniverse(UniverseBase):
             return -bounding_surface
 
         if bounded_type == 'box':
-            surf_ids = [starting_id+i for i in range(6)]
             # defines plane surfaces for all six faces of the bounding box
             lower_x = openmc.XPlane(bbox[0][0], surface_id=starting_id)
             upper_x = openmc.XPlane(bbox[1][0], surface_id=starting_id+1)

From 8791c7212e0bbca9abebf3f786b06ba8e82e151d Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 11 Aug 2022 07:48:58 -0500
Subject: [PATCH 0801/2654] Adding check for first vertex and centroid

---
 .../unstructured_mesh/test.py                 | 21 +++++++++++++++++++
 1 file changed, 21 insertions(+)

diff --git a/tests/regression_tests/unstructured_mesh/test.py b/tests/regression_tests/unstructured_mesh/test.py
index 090a47599..6146c1b1e 100644
--- a/tests/regression_tests/unstructured_mesh/test.py
+++ b/tests/regression_tests/unstructured_mesh/test.py
@@ -37,6 +37,27 @@ class UnstructuredMeshTest(PyAPITestHarness):
 
     def _compare_results(self):
         with openmc.StatePoint(self._sp_name) as sp:
+            # check some properties of the unstructured mesh
+            umesh = None
+            for m in sp.meshes.values():
+                if isinstance(m, openmc.UnstructuredMesh):
+                    umesh = m
+            assert umesh is not None
+
+            # check that the first element centroid is correct
+            # this will depend on whether the tet mesh or hex mesh
+            # file is being used in this test
+            if umesh.element_types[0] == umesh._LINEAR_TET:
+                exp_vertex = (-10.0, -10.0, -10.0)
+                exp_centroid = (-8.75, -9.75, -9.25)
+            else:
+                exp_vertex = (-10.0, -10.0, 10.0)
+                exp_centroid = (-9.0, -9.0, 9.0)
+
+            np.testing.assert_array_equal(umesh.vertices[0], exp_vertex)
+            np.testing.assert_array_equal(umesh.centroid(0), exp_centroid)
+
+
             # loop over the tallies and get data
             for tally in sp.tallies.values():
                 # find the regular and unstructured meshes

From ba72199df02061d2f0aeca00296ad3a474f5576d Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 11 Aug 2022 07:58:00 -0500
Subject: [PATCH 0802/2654] rm empty line

---
 tests/regression_tests/unstructured_mesh/test.py | 1 -
 1 file changed, 1 deletion(-)

diff --git a/tests/regression_tests/unstructured_mesh/test.py b/tests/regression_tests/unstructured_mesh/test.py
index 6146c1b1e..9ed36c69c 100644
--- a/tests/regression_tests/unstructured_mesh/test.py
+++ b/tests/regression_tests/unstructured_mesh/test.py
@@ -57,7 +57,6 @@ class UnstructuredMeshTest(PyAPITestHarness):
             np.testing.assert_array_equal(umesh.vertices[0], exp_vertex)
             np.testing.assert_array_equal(umesh.centroid(0), exp_centroid)
 
-
             # loop over the tallies and get data
             for tally in sp.tallies.values():
                 # find the regular and unstructured meshes

From 97236d7c56fde45ca653f3e7f7354206f603badf Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 11 Aug 2022 08:05:33 -0500
Subject: [PATCH 0803/2654] Correcting suggested CMake variable names

---
 CMakeLists.txt | 7 ++++++-
 1 file changed, 6 insertions(+), 1 deletion(-)

diff --git a/CMakeLists.txt b/CMakeLists.txt
index a0e788c13..72986ea2c 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -41,9 +41,14 @@ option(OPENMC_USE_MPI         "Enable MPI"
 foreach(OLD_OPT IN ITEMS "openmp" "profile" "coverage" "dagmc" "libmesh")
   if(DEFINED ${OLD_OPT})
     string(TOUPPER ${OLD_OPT} OPT_UPPER)
+    if ("${OLD_OPT}" STREQUAL "profile" OR "${OLD_OPT}" STREQUAL "coverage")
+      set(NEW_OPT_PREFIX "OPENMC_ENABLE")
+    else()
+      set(NEW_OPT_PREFIX "OPENMC_USE")
+    endif()
     message(WARNING "The OpenMC CMake option '${OLD_OPT}' has been deprecated. "
       "Its value will be ignored. "
-      "Please use '-DOPENMC_USE_${OPT_UPPER}=${${OLD_OPT}}' instead.")
+      "Please use '-D${NEW_OPT_PREFIX}_${OPT_UPPER}=${${OLD_OPT}}' instead.")
     unset(${OLD_OPT} CACHE)
   endif()
 endforeach()

From a753a44d9e10994485a0d8615041789a155a9c75 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 11 Aug 2022 09:06:32 -0400
Subject: [PATCH 0804/2654] Apply suggestions from @paulromano

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 CMakeLists.txt | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 72986ea2c..5e949070c 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -55,8 +55,8 @@ endforeach()
 
 foreach(OLD_BLD in ITEMS "debug" "optimize")
   if(DEFINED ${OLD_BLD})
-    if("${OLD_BLD}" EQUAL "debug")
-      set(BLD_VAR "Deubg")
+    if("${OLD_BLD}" STREQUAL "debug")
+      set(BLD_VAR "Debug")
     else()
       set(BLD_VAR "Release")
     endif()

From 80dc21be2c62236fb7b654087fd7624f2fc41060 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 11 Aug 2022 11:10:49 -0500
Subject: [PATCH 0805/2654] Add test for TimeFilter when time intervals are
 effectively zero

---
 tests/unit_tests/test_time_filter.py | 36 ++++++++++++++++++++++++++++
 1 file changed, 36 insertions(+)

diff --git a/tests/unit_tests/test_time_filter.py b/tests/unit_tests/test_time_filter.py
index 5b09c6d5f..45fabc544 100644
--- a/tests/unit_tests/test_time_filter.py
+++ b/tests/unit_tests/test_time_filter.py
@@ -149,3 +149,39 @@ def test_time_filter_surface(model_surf, run_in_tmpdir):
 
         # After t0+ε, the current should be zero
         assert values[2] == 0.0
+
+
+def test_small_time_interval(run_in_tmpdir):
+    # Create a model with a photon source at 1.0e8 seconds. Based on the speed
+    # of the photon, the time intervals are on the order of 1e-9 seconds, which
+    # are effectively 0 when compared to the starting time of the photon.
+    mat = openmc.Material()
+    mat.add_element('N', 1.0)
+    mat.set_density('g/cm3', 0.001)
+    sph = openmc.Sphere(r=5.0, boundary_type='vacuum')
+    cell = openmc.Cell(fill=mat, region=-sph)
+    model = openmc.Model()
+    model.geometry = openmc.Geometry([cell])
+    model.settings.particles = 100
+    model.settings.batches = 10
+    model.settings.run_mode = 'fixed source'
+    model.settings.source = openmc.Source(
+        time=openmc.stats.Discrete([1.0e8], [1.0]),
+        particle='photon'
+    )
+
+    # Add tallies with and without a time filter that should match all particles
+    time_filter = openmc.TimeFilter([0.0, 1.0e100])
+    tally_with_filter = openmc.Tally()
+    tally_with_filter.filters = [time_filter]
+    tally_with_filter.scores = ['flux']
+    tally_without_filter = openmc.Tally()
+    tally_without_filter.scores = ['flux']
+    model.tallies.extend([tally_with_filter, tally_without_filter])
+
+    # Run the model and make sure the two tallies match
+    sp_filename = model.run()
+    with openmc.StatePoint(sp_filename) as sp:
+        flux_with = sp.tallies[tally_with_filter.id].mean.ravel()[0]
+        flux_without = sp.tallies[tally_without_filter.id].mean.ravel()[0]
+        assert flux_with == pytest.approx(flux_without)

From 23ba62866e8e0dfb836995bfd871f95746399026 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 11 Aug 2022 11:11:29 -0500
Subject: [PATCH 0806/2654] Fix treatment of 0 duration time intervals in
 TimeFilter::get_all_bins

---
 src/tallies/filter_time.cpp | 11 +++++++----
 1 file changed, 7 insertions(+), 4 deletions(-)

diff --git a/src/tallies/filter_time.cpp b/src/tallies/filter_time.cpp
index 3f78d1817..787acc49e 100644
--- a/src/tallies/filter_time.cpp
+++ b/src/tallies/filter_time.cpp
@@ -55,13 +55,16 @@ void TimeFilter::get_all_bins(
     // the current track and find where it overlaps with time bins and score
     // accordingly
 
-    // Skip if time interval is zero
-    if (t_start == t_end)
-      return;
-
     // Determine first bin containing a portion of time interval
     auto i_bin = lower_bound_index(bins_.begin(), bins_.end(), t_start);
 
+    // If time interval is zero, add a match corresponding to the starting time
+    if (t_end == t_start) {
+      match.bins_.push_back(i_bin);
+      match.weights_.push_back(1.0);
+      return;
+    }
+
     // Find matching bins
     double dt_total = t_end - t_start;
     for (; i_bin < bins_.size() - 1; ++i_bin) {

From 6f433fc429896ca0df716ea7d598c08e5d3edeb0 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Thu, 11 Aug 2022 17:29:42 +0100
Subject: [PATCH 0807/2654] unit tests DAGMCUniverse bounding_region
 bounding_box

---
 tests/unit_tests/test_dagmc_universe.py | 38 +++++++++++++++++++++++++
 1 file changed, 38 insertions(+)
 create mode 100644 tests/unit_tests/test_dagmc_universe.py

diff --git a/tests/unit_tests/test_dagmc_universe.py b/tests/unit_tests/test_dagmc_universe.py
new file mode 100644
index 000000000..3f5403693
--- /dev/null
+++ b/tests/unit_tests/test_dagmc_universe.py
@@ -0,0 +1,38 @@
+import openmc
+import pytest
+
+
+def test_bounding_box():
+
+    u = openmc.DAGMCUniverse("tests/regression_tests/dagmc/universes/dagmc.h5m")
+
+    ll, ur = u.bounding_box
+    assert ll == pytest.approx((-25., -25., -25))
+    assert ur == pytest.approx((25., 25., 25))
+
+
+def test_bounding_region():
+
+    u = openmc.DAGMCUniverse("tests/regression_tests/dagmc/universes/dagmc.h5m")
+
+    region = u.bounding_region()  # should default to bounded_type='box'
+    assert isinstance(region, openmc.Region)
+    assert len(region) == 6
+    assert region[0].surface.type == 'x-plane'
+    assert region[1].surface.type == 'x-plane'
+    assert region[2].surface.type == 'y-plane'
+    assert region[3].surface.type == 'y-plane'
+    assert region[4].surface.type == 'z-plane'
+    assert region[5].surface.type == 'z-plane'
+    assert region[0].surface.boundary_type == 'vacuum'
+    assert region[1].surface.boundary_type == 'vacuum'
+    assert region[2].surface.boundary_type == 'vacuum'
+    assert region[3].surface.boundary_type == 'vacuum'
+    assert region[4].surface.boundary_type == 'vacuum'
+    assert region[5].surface.boundary_type == 'vacuum'
+
+    region = u.bounding_region(bounded_type='sphere', boundary_type='reflective')
+    assert isinstance(region, openmc.Region)
+    assert isinstance(region, openmc.Halfspace)
+    assert region.surface.type == 'sphere'
+    assert region.surface.boundary_type == 'reflective'

From b1ea00b6cb5101b61d521f04cfe4e0c7c7770721 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Thu, 11 Aug 2022 18:01:49 +0100
Subject: [PATCH 0808/2654] added test for args passed to bounded_universe

---
 tests/unit_tests/test_dagmc_universe.py | 30 +++++++++++++++++++++++++
 1 file changed, 30 insertions(+)

diff --git a/tests/unit_tests/test_dagmc_universe.py b/tests/unit_tests/test_dagmc_universe.py
index 3f5403693..945d39d9b 100644
--- a/tests/unit_tests/test_dagmc_universe.py
+++ b/tests/unit_tests/test_dagmc_universe.py
@@ -36,3 +36,33 @@ def test_bounding_region():
     assert isinstance(region, openmc.Halfspace)
     assert region.surface.type == 'sphere'
     assert region.surface.boundary_type == 'reflective'
+
+def test_bounded_universe():
+
+    u = openmc.DAGMCUniverse("tests/regression_tests/dagmc/universes/dagmc.h5m")
+
+    # bounded with defaults
+    bu = u.bounded_universe()
+
+    cells = list(bu.get_all_cells().items())
+    assert len(cells) == 1
+    assert cells[0][0] == 10000  # default bounding_cell_id is 10000
+    assert cells[0][1].id == 10000  # default bounding_cell_id is 10000
+    surfaces = list(cells[0][1].region.get_surfaces().items())
+    assert len(surfaces) == 6
+    assert surfaces[0][1].id == 10000
+
+    # bounded with non defaults
+    bu = u.bounded_universe(
+        bounding_cell_id=42,
+        bounded_type='sphere',
+        starting_id=43
+    )
+
+    cells = list(bu.get_all_cells().items())
+    assert len(cells) == 1
+    assert cells[0][0] == 42  # default bounding_cell_id is 10000
+    assert cells[0][1].id == 42  # default bounding_cell_id is 10000
+    surfaces = list(cells[0][1].region.get_surfaces().items())
+    assert surfaces[0][1].type == 'sphere'
+    assert surfaces[0][1].id == 43

From 3ff11280a11f71385360fd1c04ad5bcaec0ba04b Mon Sep 17 00:00:00 2001
From: Lewis Gross <43077972+lewisgross1296@users.noreply.github.com>
Date: Thu, 11 Aug 2022 13:26:12 -0500
Subject: [PATCH 0809/2654] documentation fix tally.h

Co-authored-by: Patrick Shriwise <pshriwise@gmail.com>
---
 include/openmc/tallies/tally.h | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/include/openmc/tallies/tally.h b/include/openmc/tallies/tally.h
index 46284dea2..bc7ecaa92 100644
--- a/include/openmc/tallies/tally.h
+++ b/include/openmc/tallies/tally.h
@@ -47,7 +47,8 @@ public:
 
   void set_nuclides(const vector<std::string>& nuclides);
 
-  const vector<int32_t>& filters() const { return filters_; } // returns vector of inidices corresponding to the tally this is called on
+  //! returns vector of indices corresponding to the tally this is called on
+  const vector<int32_t>& filters() const { return filters_; } 
 
   int32_t filters(int i) const { return filters_[i]; } // i corresponds to the index of the filter for this tally
 

From 6ef62fcaf100895defa6cc72904beae76b929d4c Mon Sep 17 00:00:00 2001
From: Lewis Gross <43077972+lewisgross1296@users.noreply.github.com>
Date: Thu, 11 Aug 2022 13:26:29 -0500
Subject: [PATCH 0810/2654] documentation fix tally.h

Co-authored-by: Patrick Shriwise <pshriwise@gmail.com>
---
 include/openmc/tallies/tally.h | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/include/openmc/tallies/tally.h b/include/openmc/tallies/tally.h
index bc7ecaa92..3cead91dc 100644
--- a/include/openmc/tallies/tally.h
+++ b/include/openmc/tallies/tally.h
@@ -50,7 +50,8 @@ public:
   //! returns vector of indices corresponding to the tally this is called on
   const vector<int32_t>& filters() const { return filters_; } 
 
-  int32_t filters(int i) const { return filters_[i]; } // i corresponds to the index of the filter for this tally
+  //! \brief Returns the tally filter at index i
+  int32_t filters(int i) const { return filters_[i]; } 
 
   void set_filters(gsl::span<Filter*> filters);
 

From 373049601802b7567bedb719aaeef687aa6aee96 Mon Sep 17 00:00:00 2001
From: Lewis Gross <43077972+lewisgross1296@users.noreply.github.com>
Date: Thu, 11 Aug 2022 13:26:50 -0500
Subject: [PATCH 0811/2654] documentation fix tally.cpp

Co-authored-by: Patrick Shriwise <pshriwise@gmail.com>
---
 src/tallies/tally.cpp | 3 +--
 1 file changed, 1 insertion(+), 2 deletions(-)

diff --git a/src/tallies/tally.cpp b/src/tallies/tally.cpp
index 0df00bbe7..72c4fa4fe 100644
--- a/src/tallies/tally.cpp
+++ b/src/tallies/tally.cpp
@@ -46,8 +46,7 @@ namespace openmc {
 //==============================================================================
 
 namespace model {
-// map: key (tally ID) to value (tally index)
-// index coresponds to the tally ID's position in the tallies vector
+//! a mapping of tally ID to index in the tallies vector
 std::unordered_map<int, int> tally_map;
 vector<unique_ptr<Tally>> tallies;
 vector<int> active_tallies;

From 22e23374dd2433903168dc5c09c9fc603c293527 Mon Sep 17 00:00:00 2001
From: Olek <45364492+yardasol@users.noreply.github.com>
Date: Thu, 11 Aug 2022 13:38:45 -0500
Subject: [PATCH 0812/2654] Apply suggestions from code review

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 docs/source/pythonapi/deplete.rst                   | 2 +-
 openmc/deplete/openmc_operator.py                   | 1 -
 tests/regression_tests/deplete_no_transport/test.py | 4 +---
 3 files changed, 2 insertions(+), 5 deletions(-)

diff --git a/docs/source/pythonapi/deplete.rst b/docs/source/pythonapi/deplete.rst
index 4154e35df..dd679a40a 100644
--- a/docs/source/pythonapi/deplete.rst
+++ b/docs/source/pythonapi/deplete.rst
@@ -43,7 +43,7 @@ algorithms <http://hdl.handle.net/1721.1/113721>`_.
     SILEQIIntegrator
 
 Each of these classes expects a "transport operator" to be passed. OpenMC
-provides The following classes implement transport operators:
+provides the following transport operator classes:
 
 .. autosummary::
    :toctree: generated
diff --git a/openmc/deplete/openmc_operator.py b/openmc/deplete/openmc_operator.py
index c34065078..ee569bf71 100644
--- a/openmc/deplete/openmc_operator.py
+++ b/openmc/deplete/openmc_operator.py
@@ -534,7 +534,6 @@ class OpenMCOperator(TransportOperator):
             rates[i] = self._rate_helper.divide_by_adens(number)
 
         # Scale reaction rates to obtain units of reactions/sec
-        print(f"flux, power, or source rate: {self._normalization_helper.factor(source_rate)}")
         rates *= self._normalization_helper.factor(source_rate)
 
         # Store new fission yields on the chain
diff --git a/tests/regression_tests/deplete_no_transport/test.py b/tests/regression_tests/deplete_no_transport/test.py
index bf4a4b132..f5ee4bf1d 100644
--- a/tests/regression_tests/deplete_no_transport/test.py
+++ b/tests/regression_tests/deplete_no_transport/test.py
@@ -23,9 +23,7 @@ def fuel():
 @pytest.fixture(scope="module")
 def micro_xs():
     micro_xs_file = Path(__file__).parents[2] / 'micro_xs_simple.csv'
-    micro_xs = MicroXS.from_csv(micro_xs_file)
-
-    return micro_xs
+    return MicroXS.from_csv(micro_xs_file)
 
 @pytest.fixture(scope="module")
 def chain_file():

From 30b1ae92cb0056cbf6e9084aa3c6f41b30c9898e Mon Sep 17 00:00:00 2001
From: lewisgross1296 <ligross@wisc.edu>
Date: Thu, 11 Aug 2022 13:45:28 -0500
Subject: [PATCH 0813/2654] changed name and return type. added signature to
 capi.h. TODO error handling in tally.cpp

---
 include/openmc/capi.h | 1 +
 src/tallies/tally.cpp | 3 ++-
 2 files changed, 3 insertions(+), 1 deletion(-)

diff --git a/include/openmc/capi.h b/include/openmc/capi.h
index 69d3ff1f6..e04d4898e 100644
--- a/include/openmc/capi.h
+++ b/include/openmc/capi.h
@@ -118,6 +118,7 @@ int openmc_regular_mesh_get_params(
 int openmc_regular_mesh_set_dimension(int32_t index, int n, const int* dims);
 int openmc_regular_mesh_set_params(int32_t index, int n, const double* ll,
   const double* ur, const double* width);
+int openmc_remove_tally(int32_t id);
 int openmc_reset();
 int openmc_reset_timers();
 int openmc_run();
diff --git a/src/tallies/tally.cpp b/src/tallies/tally.cpp
index 72c4fa4fe..8d54570ef 100644
--- a/src/tallies/tally.cpp
+++ b/src/tallies/tally.cpp
@@ -1273,12 +1273,13 @@ extern "C" size_t tallies_size()
 }
 
 // given a tally ID, remove it from the tallies vector
-extern "C" void openmc_remove_tally_from_tallies(int32_t id)
+extern "C" int openmc_remove_tally(int32_t id)
 {
   // query map for index corersponding to the given id
   int32_t index = model::tally_map[id];
   // delete the tally via iterator pointing to correct position
   model::tallies.erase(model::tallies.begin() + index);
+  return 0;
 }
 
 } // namespace openmc

From 4faaa4062b76069a03956137927b45b1073f9d1e Mon Sep 17 00:00:00 2001
From: lewisgross1296 <ligross@wisc.edu>
Date: Thu, 11 Aug 2022 14:03:21 -0500
Subject: [PATCH 0814/2654] moved test out of python API into C++ API. modeled
 after test that adds a new tally. TODO add a test that tries to delete an
 invalid ID

---
 tests/unit_tests/test_lib.py     | 14 ++++++++++++++
 tests/unit_tests/test_tallies.py |  5 +----
 2 files changed, 15 insertions(+), 4 deletions(-)

diff --git a/tests/unit_tests/test_lib.py b/tests/unit_tests/test_lib.py
index b57242983..225415e56 100644
--- a/tests/unit_tests/test_lib.py
+++ b/tests/unit_tests/test_lib.py
@@ -339,6 +339,20 @@ def test_new_tally(lib_init):
     new_tally_with_id.scores = ['flux']
     assert len(openmc.lib.tallies) == 5
 
+def test_add_and_delete_tally(lib_init):
+    with pytest.raises(exc.AllocationError):
+        openmc.lib.Material(1)
+    new_tally = openmc.lib.Tally()
+    new_tally.scores = ['flux']
+    new_tally_with_id = openmc.lib.Tally(10)
+    new_tally_with_id.scores = ['flux']
+    assert len(openmc.lib.tallies) == 5
+    # delete tally and check length is one less than before
+    openmc_remove_tally(10)
+    assert len(openmc.lib.tallies) == 4
+
+# def test_delete_wrong_id():
+
 
 def test_tally_activate(lib_simulation_init):
     t = openmc.lib.tallies[1]
diff --git a/tests/unit_tests/test_tallies.py b/tests/unit_tests/test_tallies.py
index 77aef78b4..14319a0a2 100644
--- a/tests/unit_tests/test_tallies.py
+++ b/tests/unit_tests/test_tallies.py
@@ -38,7 +38,4 @@ def test_xml_roundtrip(run_in_tmpdir):
     assert len(new_tally.triggers) == 1
     assert new_tally.triggers[0].trigger_type == tally.triggers[0].trigger_type
     assert new_tally.triggers[0].threshold == tally.triggers[0].threshold
-    assert new_tally.triggers[0].scores == tally.triggers[0].scores
-    # delete tally and check that new_tallies now has length zero
-    new_tally.openmc_remove_tally_from_tallies(tally.id)
-    assert len(new_tallies) == 0
\ No newline at end of file
+    assert new_tally.triggers[0].scores == tally.triggers[0].scores
\ No newline at end of file

From fd2ae7811a30bcc293f488514168dad4ead42ec2 Mon Sep 17 00:00:00 2001
From: Lewis Gross <43077972+lewisgross1296@users.noreply.github.com>
Date: Thu, 11 Aug 2022 14:05:23 -0500
Subject: [PATCH 0815/2654] use safer .at(id)

Co-authored-by: Patrick Shriwise <pshriwise@gmail.com>
---
 src/tallies/tally.cpp | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/src/tallies/tally.cpp b/src/tallies/tally.cpp
index 8d54570ef..e3baaea91 100644
--- a/src/tallies/tally.cpp
+++ b/src/tallies/tally.cpp
@@ -1276,7 +1276,7 @@ extern "C" size_t tallies_size()
 extern "C" int openmc_remove_tally(int32_t id)
 {
   // query map for index corersponding to the given id
-  int32_t index = model::tally_map[id];
+  int32_t index = model::tally_map.at(id);
   // delete the tally via iterator pointing to correct position
   model::tallies.erase(model::tallies.begin() + index);
   return 0;

From bce2c2384a63aba00ab4b999d6c38927ffe2cd43 Mon Sep 17 00:00:00 2001
From: lewisgross1296 <ligross@wisc.edu>
Date: Thu, 11 Aug 2022 14:14:09 -0500
Subject: [PATCH 0816/2654] added error checking to ensure ID is in map before
 erasing. also removes the key/value pair from the map after deleting the
 tally

---
 src/tallies/tally.cpp | 8 +++++++-
 1 file changed, 7 insertions(+), 1 deletion(-)

diff --git a/src/tallies/tally.cpp b/src/tallies/tally.cpp
index e3baaea91..1c1b978a1 100644
--- a/src/tallies/tally.cpp
+++ b/src/tallies/tally.cpp
@@ -1275,11 +1275,17 @@ extern "C" size_t tallies_size()
 // given a tally ID, remove it from the tallies vector
 extern "C" int openmc_remove_tally(int32_t id)
 {
+  // check that id is in the map
+  if (!model::tally_map.contains(id)) {
+    return OPENMC_INVALID_ID;
+  }
   // query map for index corersponding to the given id
   int32_t index = model::tally_map.at(id);
   // delete the tally via iterator pointing to correct position
   model::tallies.erase(model::tallies.begin() + index);
-  return 0;
+
+  // after erasing tally, remove id from map
+  model::tally_map.remove(id) return 0;
 }
 
 } // namespace openmc

From 03806675c9701ba9eeb7eaad65445f1a114dc2cb Mon Sep 17 00:00:00 2001
From: lewisgross1296 <ligross@wisc.edu>
Date: Thu, 11 Aug 2022 14:32:58 -0500
Subject: [PATCH 0817/2654] forgot semicolon

---
 src/tallies/tally.cpp | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/src/tallies/tally.cpp b/src/tallies/tally.cpp
index 1c1b978a1..1613bd318 100644
--- a/src/tallies/tally.cpp
+++ b/src/tallies/tally.cpp
@@ -1285,7 +1285,8 @@ extern "C" int openmc_remove_tally(int32_t id)
   model::tallies.erase(model::tallies.begin() + index);
 
   // after erasing tally, remove id from map
-  model::tally_map.remove(id) return 0;
+  model::tally_map.erase(id);
+  return 0;
 }
 
 } // namespace openmc

From 21f7cda6bc7039975d5c600e0c965850a1c4b181 Mon Sep 17 00:00:00 2001
From: lewisgross1296 <ligross@wisc.edu>
Date: Thu, 11 Aug 2022 14:50:57 -0500
Subject: [PATCH 0818/2654] changed return type to match signature change

---
 openmc/lib/tally.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/lib/tally.py b/openmc/lib/tally.py
index d839d6ddc..07989d558 100644
--- a/openmc/lib/tally.py
+++ b/openmc/lib/tally.py
@@ -88,7 +88,7 @@ _dll.openmc_tally_set_writable.argtypes = [c_int32, c_bool]
 _dll.openmc_tally_set_writable.restype = c_int
 _dll.openmc_tally_set_writable.errcheck = _error_handler
 _dll.openmc_remove_tally_from_tallies.argtypes = [c_int32]
-_dll.openmc_remove_tally_from_tallies.restype = None
+_dll.openmc_remove_tally_from_tallies.restype = c_int
 _dll.openmc_remove_tally_from_tallies.errcheck = _error_handler
 _dll.tallies_size.restype = c_size_t
 

From 5af0d291a1fc423d8c0a6aef9762fc344640aa3a Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Thu, 11 Aug 2022 15:14:07 -0500
Subject: [PATCH 0819/2654] style fix on constant

---
 openmc/deplete/microxs.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/deplete/microxs.py b/openmc/deplete/microxs.py
index 71e476c2c..96a5e9dbd 100644
--- a/openmc/deplete/microxs.py
+++ b/openmc/deplete/microxs.py
@@ -146,7 +146,7 @@ class MicroXS(DataFrame):
         for material in model.materials:
             if material.depletable:
                 nuc_densities = material.get_nuclide_atom_densities()
-                dilute_density = 1.e-24 * dilute_initial
+                dilute_density = 1.0e-24 * dilute_initial
                 material.set_density('sum')
                 for nuc, density in nuc_densities.items():
                     material.remove_nuclide(nuc)

From 3c483a7d7df53703381d1bb3ca3b30fc9e5c939c Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Thu, 11 Aug 2022 17:25:28 -0500
Subject: [PATCH 0820/2654] add run_kwargs parameter to MicroXS.from_model()

---
 openmc/deplete/microxs.py | 12 ++++++++++--
 1 file changed, 10 insertions(+), 2 deletions(-)

diff --git a/openmc/deplete/microxs.py b/openmc/deplete/microxs.py
index 96a5e9dbd..05831fb1a 100644
--- a/openmc/deplete/microxs.py
+++ b/openmc/deplete/microxs.py
@@ -35,7 +35,8 @@ class MicroXS(DataFrame):
                    reaction_domain,
                    chain_file,
                    dilute_initial=1.0e3,
-                   energy_bounds=(0, 20e6)):
+                   energy_bounds=(0, 20e6),
+                   run_kwargs=None):
         """Generate a one-group cross-section dataframe using
         OpenMC. Note that the ``openmc`` executable must be compiled.
 
@@ -57,6 +58,8 @@ class MicroXS(DataFrame):
             Reaction names to tally
         energy_bound : 2-tuple of float, optional
             Bounds for the energy group.
+        run_kwargs : dict, optional
+            Keyword arguments for :meth:`openmc.model.Model.run()`
 
         Returns
         -------
@@ -89,7 +92,12 @@ class MicroXS(DataFrame):
 
         # create temporary run
         with tempfile.TemporaryDirectory() as temp_dir:
-            statepoint_path = model.run(cwd=temp_dir)
+            if run_kwargs is None:
+                run_kwargs = {}
+                model.init_lib()
+            elif 'cwd' in run_kwargs:
+                run_kwargs.pop('cwd')
+            statepoint_path = model.run(cwd=temp_dir, **run_kwargs)
 
             with StatePoint(statepoint_path) as sp:
                 for rx in xs:

From f8d87b1bb30a667d8b2799c18f1e3ac5f4ffae07 Mon Sep 17 00:00:00 2001
From: lewisgross1296 <ligross@wisc.edu>
Date: Thu, 11 Aug 2022 20:29:02 -0500
Subject: [PATCH 0821/2654] typo in return type

---
 src/tallies/tally.cpp | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/src/tallies/tally.cpp b/src/tallies/tally.cpp
index 1613bd318..3e255302e 100644
--- a/src/tallies/tally.cpp
+++ b/src/tallies/tally.cpp
@@ -1277,7 +1277,7 @@ extern "C" int openmc_remove_tally(int32_t id)
 {
   // check that id is in the map
   if (!model::tally_map.contains(id)) {
-    return OPENMC_INVALID_ID;
+    return OPENMC_E_INVALID_ID;
   }
   // query map for index corersponding to the given id
   int32_t index = model::tally_map.at(id);

From 84359e334040b163cd692fe895f616cba5cedd86 Mon Sep 17 00:00:00 2001
From: lewisgross1296 <ligross@wisc.edu>
Date: Thu, 11 Aug 2022 20:57:23 -0500
Subject: [PATCH 0822/2654] apparently count does not exist in c++11 which the
 github test system is using, so I will use the older trick of checking
 whether count equals 0 or 1 to determine if the id exists as a key

---
 src/tallies/tally.cpp | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/src/tallies/tally.cpp b/src/tallies/tally.cpp
index 3e255302e..73d7ae14c 100644
--- a/src/tallies/tally.cpp
+++ b/src/tallies/tally.cpp
@@ -1276,7 +1276,7 @@ extern "C" size_t tallies_size()
 extern "C" int openmc_remove_tally(int32_t id)
 {
   // check that id is in the map
-  if (!model::tally_map.contains(id)) {
+  if (model::tally_map.count(id)!=1) {
     return OPENMC_E_INVALID_ID;
   }
   // query map for index corersponding to the given id

From 623b86703391b72712ced5aa9a8ec3cea6513f57 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Fri, 12 Aug 2022 10:43:40 +0100
Subject: [PATCH 0823/2654] updated path for dagmc file

---
 tests/unit_tests/test_dagmc_universe.py | 57 ++++++++++++++-----------
 1 file changed, 31 insertions(+), 26 deletions(-)

diff --git a/tests/unit_tests/test_dagmc_universe.py b/tests/unit_tests/test_dagmc_universe.py
index 945d39d9b..9904fa03b 100644
--- a/tests/unit_tests/test_dagmc_universe.py
+++ b/tests/unit_tests/test_dagmc_universe.py
@@ -1,50 +1,58 @@
 import openmc
 import pytest
+from pathlib import Path
 
 
 def test_bounding_box():
+    """Checks that the DAGMCUniverse.bounding_box returns the correct values"""
 
-    u = openmc.DAGMCUniverse("tests/regression_tests/dagmc/universes/dagmc.h5m")
+    u = openmc.DAGMCUniverse(str(Path(__file__).parent.resolve() / "dagmc/dagmc.h5m"))
 
     ll, ur = u.bounding_box
-    assert ll == pytest.approx((-25., -25., -25))
-    assert ur == pytest.approx((25., 25., 25))
+    assert ll == pytest.approx((-25.0, -25.0, -25))
+    assert ur == pytest.approx((25.0, 25.0, 25))
 
 
 def test_bounding_region():
+    """Checks that the DAGMCUniverse.bounding_region() returns a region with
+    correct surfaces and boundary types"""
 
-    u = openmc.DAGMCUniverse("tests/regression_tests/dagmc/universes/dagmc.h5m")
+    u = openmc.DAGMCUniverse(str(Path(__file__).parent.resolve() / "dagmc/dagmc.h5m"))
 
     region = u.bounding_region()  # should default to bounded_type='box'
     assert isinstance(region, openmc.Region)
     assert len(region) == 6
-    assert region[0].surface.type == 'x-plane'
-    assert region[1].surface.type == 'x-plane'
-    assert region[2].surface.type == 'y-plane'
-    assert region[3].surface.type == 'y-plane'
-    assert region[4].surface.type == 'z-plane'
-    assert region[5].surface.type == 'z-plane'
-    assert region[0].surface.boundary_type == 'vacuum'
-    assert region[1].surface.boundary_type == 'vacuum'
-    assert region[2].surface.boundary_type == 'vacuum'
-    assert region[3].surface.boundary_type == 'vacuum'
-    assert region[4].surface.boundary_type == 'vacuum'
-    assert region[5].surface.boundary_type == 'vacuum'
+    assert region[0].surface.type == "x-plane"
+    assert region[1].surface.type == "x-plane"
+    assert region[2].surface.type == "y-plane"
+    assert region[3].surface.type == "y-plane"
+    assert region[4].surface.type == "z-plane"
+    assert region[5].surface.type == "z-plane"
+    assert region[0].surface.boundary_type == "vacuum"
+    assert region[1].surface.boundary_type == "vacuum"
+    assert region[2].surface.boundary_type == "vacuum"
+    assert region[3].surface.boundary_type == "vacuum"
+    assert region[4].surface.boundary_type == "vacuum"
+    assert region[5].surface.boundary_type == "vacuum"
 
-    region = u.bounding_region(bounded_type='sphere', boundary_type='reflective')
+    region = u.bounding_region(bounded_type="sphere", boundary_type="reflective")
     assert isinstance(region, openmc.Region)
     assert isinstance(region, openmc.Halfspace)
-    assert region.surface.type == 'sphere'
-    assert region.surface.boundary_type == 'reflective'
+    assert region.surface.type == "sphere"
+    assert region.surface.boundary_type == "reflective"
+
 
 def test_bounded_universe():
+    """Checks that the DAGMCUniverse.bounded_universe() returns a
+    openmc.Universe with correct surface ids and cell ids"""
 
-    u = openmc.DAGMCUniverse("tests/regression_tests/dagmc/universes/dagmc.h5m")
+    u = openmc.DAGMCUniverse(str(Path(__file__).parent.resolve() / "dagmc/dagmc.h5m"))
 
     # bounded with defaults
     bu = u.bounded_universe()
 
     cells = list(bu.get_all_cells().items())
+    assert isinstance(bu, openmc.Universe)
     assert len(cells) == 1
     assert cells[0][0] == 10000  # default bounding_cell_id is 10000
     assert cells[0][1].id == 10000  # default bounding_cell_id is 10000
@@ -53,16 +61,13 @@ def test_bounded_universe():
     assert surfaces[0][1].id == 10000
 
     # bounded with non defaults
-    bu = u.bounded_universe(
-        bounding_cell_id=42,
-        bounded_type='sphere',
-        starting_id=43
-    )
+    bu = u.bounded_universe(bounding_cell_id=42, bounded_type="sphere", starting_id=43)
 
     cells = list(bu.get_all_cells().items())
+    assert isinstance(bu, openmc.Universe)
     assert len(cells) == 1
     assert cells[0][0] == 42  # default bounding_cell_id is 10000
     assert cells[0][1].id == 42  # default bounding_cell_id is 10000
     surfaces = list(cells[0][1].region.get_surfaces().items())
-    assert surfaces[0][1].type == 'sphere'
+    assert surfaces[0][1].type == "sphere"
     assert surfaces[0][1].id == 43

From d47f41637f76f5ed81976d5c4c9a1027c8c6e320 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 12 Aug 2022 07:53:36 -0500
Subject: [PATCH 0824/2654] Some updates to DAGMC testing.

---
 openmc/universe.py                            |  4 ++--
 tests/regression_tests/dagmc/legacy/test.py   |  3 ++-
 .../regression_tests/dagmc/universes/test.py  | 22 -------------------
 .../test_bounds.py}                           | 12 +++++-----
 4 files changed, 10 insertions(+), 31 deletions(-)
 rename tests/unit_tests/{test_dagmc_universe.py => dagmc/test_bounds.py} (87%)

diff --git a/openmc/universe.py b/openmc/universe.py
index 727e7a096..65bcce747 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -678,8 +678,8 @@ class DAGMCUniverse(UniverseBase):
 
     @filename.setter
     def filename(self, val):
-        cv.check_type('DAGMC filename', val, str)
-        self._filename = val
+        cv.check_type('DAGMC filename', val, (Path, str))
+        self._filename = str(val)
 
     @property
     def auto_geom_ids(self):
diff --git a/tests/regression_tests/dagmc/legacy/test.py b/tests/regression_tests/dagmc/legacy/test.py
index e0fccb934..dacbc19ee 100644
--- a/tests/regression_tests/dagmc/legacy/test.py
+++ b/tests/regression_tests/dagmc/legacy/test.py
@@ -1,6 +1,7 @@
 import openmc
 import openmc.lib
 
+from pathlib import Path
 import pytest
 from tests.testing_harness import PyAPITestHarness
 
@@ -27,7 +28,7 @@ def model():
     model.settings.dagmc = True
 
     # geometry
-    dag_univ = openmc.DAGMCUniverse("dagmc.h5m")
+    dag_univ = openmc.DAGMCUniverse(Path("dagmc.h5m"))
     model.geometry = openmc.Geometry(dag_univ)
 
     # tally
diff --git a/tests/regression_tests/dagmc/universes/test.py b/tests/regression_tests/dagmc/universes/test.py
index 67c8f962d..47897ad56 100644
--- a/tests/regression_tests/dagmc/universes/test.py
+++ b/tests/regression_tests/dagmc/universes/test.py
@@ -53,28 +53,6 @@ class DAGMCUniverseTest(PyAPITestHarness):
         # assigns the bound_dag_geometry to the model to test the type checks in model.Geometry setter
         model.Geometry = bound_pincell_geometry
 
-        # checks that the bounding box is calculated correctly
-        bounding_box = pincell_univ.bounding_box
-        assert bounding_box[0].tolist() == [-25., -25., -25.]
-        assert bounding_box[1].tolist() == [25., 25., 25.]
-
-        # checks that the bounding region is six surfaces each with a vacuum boundary type
-        b_region = pincell_univ.bounding_region(bounded_type='box', boundary_type='vacuum')
-        assert isinstance(b_region, openmc.Region)
-        assert len(b_region.get_surfaces()) == 6
-        starting_id = 10000
-        for i, surface in enumerate(b_region.get_surfaces().values()):
-            assert surface.boundary_type == 'vacuum'
-            assert surface.id == 10000 + i
-
-        # checks that the bounding region is a single surface with a reflective boundary type
-        b_region = pincell_univ.bounding_region(bounded_type='sphere', boundary_type='reflective')
-        assert isinstance(b_region, openmc.Region)
-        assert len(b_region.get_surfaces()) == 1
-        for surface in list(b_region.get_surfaces().values()):
-            assert surface.boundary_type == 'reflective'
-            assert surface.id == 10000
-
         # create a 2 x 2 lattice using the DAGMC pincell
         pitch = np.asarray((24.0, 24.0))
         lattice = openmc.RectLattice()
diff --git a/tests/unit_tests/test_dagmc_universe.py b/tests/unit_tests/dagmc/test_bounds.py
similarity index 87%
rename from tests/unit_tests/test_dagmc_universe.py
rename to tests/unit_tests/dagmc/test_bounds.py
index 9904fa03b..dbca3ca25 100644
--- a/tests/unit_tests/test_dagmc_universe.py
+++ b/tests/unit_tests/dagmc/test_bounds.py
@@ -3,21 +3,21 @@ import pytest
 from pathlib import Path
 
 
-def test_bounding_box():
+def test_bounding_box(request):
     """Checks that the DAGMCUniverse.bounding_box returns the correct values"""
 
-    u = openmc.DAGMCUniverse(str(Path(__file__).parent.resolve() / "dagmc/dagmc.h5m"))
+    u = openmc.DAGMCUniverse(Path(request.fspath).parent / "dagmc.h5m")
 
     ll, ur = u.bounding_box
     assert ll == pytest.approx((-25.0, -25.0, -25))
     assert ur == pytest.approx((25.0, 25.0, 25))
 
 
-def test_bounding_region():
+def test_bounding_region(request):
     """Checks that the DAGMCUniverse.bounding_region() returns a region with
     correct surfaces and boundary types"""
 
-    u = openmc.DAGMCUniverse(str(Path(__file__).parent.resolve() / "dagmc/dagmc.h5m"))
+    u = openmc.DAGMCUniverse(Path(request.fspath).parent / "dagmc.h5m")
 
     region = u.bounding_region()  # should default to bounded_type='box'
     assert isinstance(region, openmc.Region)
@@ -42,11 +42,11 @@ def test_bounding_region():
     assert region.surface.boundary_type == "reflective"
 
 
-def test_bounded_universe():
+def test_bounded_universe(request):
     """Checks that the DAGMCUniverse.bounded_universe() returns a
     openmc.Universe with correct surface ids and cell ids"""
 
-    u = openmc.DAGMCUniverse(str(Path(__file__).parent.resolve() / "dagmc/dagmc.h5m"))
+    u = openmc.DAGMCUniverse(Path(request.fspath).parent / "dagmc.h5m")
 
     # bounded with defaults
     bu = u.bounded_universe()

From 1124bffb4b6749f6d2ed50f7d1d498c26253ff0a Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 12 Aug 2022 07:55:50 -0500
Subject: [PATCH 0825/2654] Leave dagmc filename as Path object until writing
 the XML file

---
 openmc/universe.py | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/openmc/universe.py b/openmc/universe.py
index 65bcce747..4aa1775fb 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -679,7 +679,7 @@ class DAGMCUniverse(UniverseBase):
     @filename.setter
     def filename(self, val):
         cv.check_type('DAGMC filename', val, (Path, str))
-        self._filename = str(val)
+        self._filename = val
 
     @property
     def auto_geom_ids(self):
@@ -720,7 +720,7 @@ class DAGMCUniverse(UniverseBase):
             dagmc_element.set('auto_geom_ids', 'true')
         if self.auto_mat_ids:
             dagmc_element.set('auto_mat_ids', 'true')
-        dagmc_element.set('filename', self.filename)
+        dagmc_element.set('filename', str(self.filename))
         xml_element.append(dagmc_element)
 
     def bounding_region(self, bounded_type='box', boundary_type='vacuum', starting_id=10000):

From 74e093ae456349798b8b2e7f666aba593a23a811 Mon Sep 17 00:00:00 2001
From: Lewis Gross <43077972+lewisgross1296@users.noreply.github.com>
Date: Fri, 12 Aug 2022 10:55:21 -0500
Subject: [PATCH 0826/2654] renamed function and forgot to update these
 commands

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/lib/tally.py | 6 +++---
 1 file changed, 3 insertions(+), 3 deletions(-)

diff --git a/openmc/lib/tally.py b/openmc/lib/tally.py
index 07989d558..534e6ebaa 100644
--- a/openmc/lib/tally.py
+++ b/openmc/lib/tally.py
@@ -87,9 +87,9 @@ _dll.openmc_tally_set_type.errcheck = _error_handler
 _dll.openmc_tally_set_writable.argtypes = [c_int32, c_bool]
 _dll.openmc_tally_set_writable.restype = c_int
 _dll.openmc_tally_set_writable.errcheck = _error_handler
-_dll.openmc_remove_tally_from_tallies.argtypes = [c_int32]
-_dll.openmc_remove_tally_from_tallies.restype = c_int
-_dll.openmc_remove_tally_from_tallies.errcheck = _error_handler
+_dll.openmc_remove_tally.argtypes = [c_int32]
+_dll.openmc_remove_tally.restype = c_int
+_dll.openmc_remove_tally.errcheck = _error_handler
 _dll.tallies_size.restype = c_size_t
 
 

From 7d429ab45e0092d433c3b3f80da4ec351b9699de Mon Sep 17 00:00:00 2001
From: lewisgross1296 <ligross@wisc.edu>
Date: Fri, 12 Aug 2022 12:58:37 -0500
Subject: [PATCH 0827/2654] pass index instead of ID to remove tally from
 tallies and tally_map

---
 src/tallies/tally.cpp | 13 ++++++-------
 1 file changed, 6 insertions(+), 7 deletions(-)

diff --git a/src/tallies/tally.cpp b/src/tallies/tally.cpp
index 73d7ae14c..8f0f254e0 100644
--- a/src/tallies/tally.cpp
+++ b/src/tallies/tally.cpp
@@ -1273,19 +1273,18 @@ extern "C" size_t tallies_size()
 }
 
 // given a tally ID, remove it from the tallies vector
-extern "C" int openmc_remove_tally(int32_t id)
+extern "C" int openmc_remove_tally(int32_t index)
 {
   // check that id is in the map
-  if (model::tally_map.count(id)!=1) {
-    return OPENMC_E_INVALID_ID;
+  if (index <= 0 || index > model::tallies.size()) {
+    return OPENMC_E_OUT_OF_BOUNDS;
   }
-  // query map for index corersponding to the given id
-  int32_t index = model::tally_map.at(id);
+  // grab tally so it's ID can be obtained to remove the (ID,index) pair from tally_map
+  auto& tally = model::tallies[index];
+  model::tally_map.erase(tally->id_);
   // delete the tally via iterator pointing to correct position
   model::tallies.erase(model::tallies.begin() + index);
 
-  // after erasing tally, remove id from map
-  model::tally_map.erase(id);
   return 0;
 }
 

From 88c4f88abd13e929eab48325a8f13b97c86ed7a5 Mon Sep 17 00:00:00 2001
From: lewisgross1296 <ligross@wisc.edu>
Date: Fri, 12 Aug 2022 13:02:04 -0500
Subject: [PATCH 0828/2654] accidentally had <= when it should be strictly <

---
 src/tallies/tally.cpp | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/src/tallies/tally.cpp b/src/tallies/tally.cpp
index 8f0f254e0..f45fae994 100644
--- a/src/tallies/tally.cpp
+++ b/src/tallies/tally.cpp
@@ -1276,7 +1276,7 @@ extern "C" size_t tallies_size()
 extern "C" int openmc_remove_tally(int32_t index)
 {
   // check that id is in the map
-  if (index <= 0 || index > model::tallies.size()) {
+  if (index < 0 || index > model::tallies.size()) {
     return OPENMC_E_OUT_OF_BOUNDS;
   }
   // grab tally so it's ID can be obtained to remove the (ID,index) pair from tally_map

From 9d82e412da19b83cda05106dceceb0df8fad8c32 Mon Sep 17 00:00:00 2001
From: lewisgross1296 <ligross@wisc.edu>
Date: Fri, 12 Aug 2022 13:24:29 -0500
Subject: [PATCH 0829/2654] added test to delete known tally. added test to
 throw an error if you remove tally that was not added

---
 tests/unit_tests/test_lib.py | 19 ++++++++-----------
 1 file changed, 8 insertions(+), 11 deletions(-)

diff --git a/tests/unit_tests/test_lib.py b/tests/unit_tests/test_lib.py
index 225415e56..96d54c416 100644
--- a/tests/unit_tests/test_lib.py
+++ b/tests/unit_tests/test_lib.py
@@ -339,19 +339,16 @@ def test_new_tally(lib_init):
     new_tally_with_id.scores = ['flux']
     assert len(openmc.lib.tallies) == 5
 
-def test_add_and_delete_tally(lib_init):
-    with pytest.raises(exc.AllocationError):
-        openmc.lib.Material(1)
-    new_tally = openmc.lib.Tally()
-    new_tally.scores = ['flux']
-    new_tally_with_id = openmc.lib.Tally(10)
-    new_tally_with_id.scores = ['flux']
-    assert len(openmc.lib.tallies) == 5
-    # delete tally and check length is one less than before
-    openmc_remove_tally(10)
+def test_delete_tally(lib_init):
+    # delete tally 10 which was added in the above test
+    # check length is one less than before
+    openmc.lib.openmc_remove_tally(openmc.lib.get_tally_index(10))
     assert len(openmc.lib.tallies) == 4
 
-# def test_delete_wrong_id():
+def test_delete_invalid_id(lib_init):
+    # attempt to delete a tally that is guaranteed not to have a valid index
+    with pytest.raises(exc.InvalidIDError):
+        openmc.lib.openmc_remove_tally(np.max(id)+1)
 
 
 def test_tally_activate(lib_simulation_init):

From d1775181e905054677d904acb9f4a652d0195325 Mon Sep 17 00:00:00 2001
From: lewisgross1296 <ligross@wisc.edu>
Date: Fri, 12 Aug 2022 15:49:08 -0500
Subject: [PATCH 0830/2654] added deletion operator to TallyMapping class. used
 in tests and changed delete invalid id to access invalid id

---
 openmc/lib/tally.py          | 22 +++++++++++++++-------
 tests/unit_tests/test_lib.py | 13 ++++++++-----
 2 files changed, 23 insertions(+), 12 deletions(-)

diff --git a/openmc/lib/tally.py b/openmc/lib/tally.py
index 534e6ebaa..c1c8ab094 100644
--- a/openmc/lib/tally.py
+++ b/openmc/lib/tally.py
@@ -390,13 +390,7 @@ class Tally(_FortranObjectWithID):
 
 class _TallyMapping(Mapping):
     def __getitem__(self, key):
-        index = c_int32()
-        try:
-            _dll.openmc_get_tally_index(key, index)
-        except (AllocationError, InvalidIDError) as e:
-            # __contains__ expects a KeyError to work correctly
-            raise KeyError(str(e))
-        return Tally(index=index.value)
+        return Tally(index=self._get_tally_index(key))
 
     def __iter__(self):
         for i in range(len(self)):
@@ -408,4 +402,18 @@ class _TallyMapping(Mapping):
     def __repr__(self):
         return repr(dict(self))
 
+    def __delitem__(self,key):
+        """Delete a tally from tally vector and remove the ID,index pair from tally"""
+        _dll.openmc_remove_tally(self._get_tally_index(key))
+
+    def _get_tally_index(self,key):
+        """Given the ID, return the index"""
+        index = c_int32()
+        try:
+            _dll.openmc_get_tally_index(key, index)
+        except (AllocationError, InvalidIDError) as e:
+            # __contains__ expects a KeyError to work correctly
+            raise KeyError(str(e))
+        return index.value
+
 tallies = _TallyMapping()
diff --git a/tests/unit_tests/test_lib.py b/tests/unit_tests/test_lib.py
index 96d54c416..5063646f7 100644
--- a/tests/unit_tests/test_lib.py
+++ b/tests/unit_tests/test_lib.py
@@ -339,16 +339,19 @@ def test_new_tally(lib_init):
     new_tally_with_id.scores = ['flux']
     assert len(openmc.lib.tallies) == 5
 
+
 def test_delete_tally(lib_init):
     # delete tally 10 which was added in the above test
     # check length is one less than before
-    openmc.lib.openmc_remove_tally(openmc.lib.get_tally_index(10))
+    del openmc.lib.tallies[10]
     assert len(openmc.lib.tallies) == 4
 
-def test_delete_invalid_id(lib_init):
-    # attempt to delete a tally that is guaranteed not to have a valid index
-    with pytest.raises(exc.InvalidIDError):
-        openmc.lib.openmc_remove_tally(np.max(id)+1)
+
+def test_invalid_tally_id(lib_init):
+    # attempt to access a tally that is guaranteed not to have a valid index
+    max_id = max(openmc.lib.tallies.keys())
+    with pytest.raises(KeyError):
+        openmc.lib.tallies[max_id+1]
 
 
 def test_tally_activate(lib_simulation_init):

From ecd0455b0647fb9a872616fbb43195cee203a957 Mon Sep 17 00:00:00 2001
From: shimwell <mail@jshimwell.com>
Date: Sat, 13 Aug 2022 12:32:14 +0100
Subject: [PATCH 0831/2654] added vtk writing to tracks object

---
 openmc/tracks.py                | 49 +++++++++++++++++++++++++++++++++
 tests/unit_tests/test_tracks.py | 14 ++++++++++
 2 files changed, 63 insertions(+)

diff --git a/openmc/tracks.py b/openmc/tracks.py
index e9097e8ee..4b4ecc4f2 100644
--- a/openmc/tracks.py
+++ b/openmc/tracks.py
@@ -266,6 +266,55 @@ class Tracks(list):
             track.plot(ax)
         return ax
 
+    def write_tracks_to_vtk(self, filename):
+        """Creates a VTK file of the tracks
+
+        Parameters
+        ----------
+        filename : str
+            Name of the VTK file to write.
+
+        Returns
+        -------
+        vtk.vtkStructuredGrid
+            the VTK object
+        """
+
+        import vtk
+
+        # Initialize data arrays and offset.
+        points = vtk.vtkPoints()
+        cells = vtk.vtkCellArray()
+    
+        for particle in self:
+            for state in particle.states:
+                points.InsertNextPoint(state['r'])
+
+            # Create VTK line and assign points to line.
+            n = particle.states.size
+            line = vtk.vtkPolyLine()
+            line.GetPointIds().SetNumberOfIds(n)
+            for i in range(n):
+                line.GetPointIds().SetId(i, point_offset + i)
+            point_offset += n
+
+            # Add line to cell array
+            cells.InsertNextCell(line)
+
+        data = vtk.vtkPolyData()
+        data.SetPoints(points)
+        data.SetLines(cells)
+
+        writer = vtk.vtkXMLPPolyDataWriter()
+        if vtk.vtkVersion.GetVTKMajorVersion() > 5:
+            writer.SetInputData(data)
+        else:
+            writer.SetInput(data)
+        writer.SetFileName(filename)
+        writer.Write()
+
+        return filename
+
     @staticmethod
     def combine(track_files, path='tracks.h5'):
         """Combine multiple track files into a single track file
diff --git a/tests/unit_tests/test_tracks.py b/tests/unit_tests/test_tracks.py
index e18015d81..bb1210d2e 100644
--- a/tests/unit_tests/test_tracks.py
+++ b/tests/unit_tests/test_tracks.py
@@ -141,3 +141,17 @@ def test_filter(sphere_model, run_in_tmpdir):
     assert matches == tracks
     matches = tracks.filter(particle='bunnytron')
     assert matches == []
+
+def test_write_tracks_to_vtk():
+    # Set maximum number of tracks per process to write
+    sphere_model.settings.max_tracks = 25
+    sphere_model.settings.photon_transport = True
+
+    # Run OpenMC to generate tracks.h5 file
+    generate_track_file(sphere_model, tracks=True)
+
+    tracks = openmc.Tracks('tracks.h5')
+    filename = tracks.write_tracks_to_vtk('tracks.vtk')
+
+    assert filename == 'tracks.vtk'
+    assert Path('tracks.vtk').is_file()

From d15c051263510e6c81042228c35786921a1ddba0 Mon Sep 17 00:00:00 2001
From: shimwell <mail@jshimwell.com>
Date: Sat, 13 Aug 2022 12:34:17 +0100
Subject: [PATCH 0832/2654] added missing arg

---
 tests/unit_tests/test_tracks.py | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/tests/unit_tests/test_tracks.py b/tests/unit_tests/test_tracks.py
index bb1210d2e..d2548be64 100644
--- a/tests/unit_tests/test_tracks.py
+++ b/tests/unit_tests/test_tracks.py
@@ -142,7 +142,8 @@ def test_filter(sphere_model, run_in_tmpdir):
     matches = tracks.filter(particle='bunnytron')
     assert matches == []
 
-def test_write_tracks_to_vtk():
+
+def test_write_tracks_to_vtk(sphere_model):
     # Set maximum number of tracks per process to write
     sphere_model.settings.max_tracks = 25
     sphere_model.settings.photon_transport = True

From f8101006d821abc109df45092088d5d8ce9794e2 Mon Sep 17 00:00:00 2001
From: Olek <45364492+yardasol@users.noreply.github.com>
Date: Sat, 13 Aug 2022 10:20:19 -0500
Subject: [PATCH 0833/2654] remove `init_lib()` call in `MicroXS.from_model()`;
 use `setdefault` to ensure correct directory is used

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/deplete/microxs.py | 6 ++----
 1 file changed, 2 insertions(+), 4 deletions(-)

diff --git a/openmc/deplete/microxs.py b/openmc/deplete/microxs.py
index 05831fb1a..ccbfab538 100644
--- a/openmc/deplete/microxs.py
+++ b/openmc/deplete/microxs.py
@@ -94,10 +94,8 @@ class MicroXS(DataFrame):
         with tempfile.TemporaryDirectory() as temp_dir:
             if run_kwargs is None:
                 run_kwargs = {}
-                model.init_lib()
-            elif 'cwd' in run_kwargs:
-                run_kwargs.pop('cwd')
-            statepoint_path = model.run(cwd=temp_dir, **run_kwargs)
+            run_kwargs.setdefault('cwd', temp_dir)
+            statepoint_path = model.run(**run_kwargs)
 
             with StatePoint(statepoint_path) as sp:
                 for rx in xs:

From 2263549b9b59f9b49929c417c3e8ae1111d8bef4 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Mon, 15 Aug 2022 13:22:44 +0100
Subject: [PATCH 0834/2654] producing vtp vtk files

---
 openmc/tracks.py | 10 ++++++----
 1 file changed, 6 insertions(+), 4 deletions(-)

diff --git a/openmc/tracks.py b/openmc/tracks.py
index 4b4ecc4f2..076ffc78d 100644
--- a/openmc/tracks.py
+++ b/openmc/tracks.py
@@ -266,7 +266,7 @@ class Tracks(list):
             track.plot(ax)
         return ax
 
-    def write_tracks_to_vtk(self, filename):
+    def write_tracks_to_vtk(self, filename='tracks.vtk'):
         """Creates a VTK file of the tracks
 
         Parameters
@@ -286,12 +286,14 @@ class Tracks(list):
         points = vtk.vtkPoints()
         cells = vtk.vtkCellArray()
     
+        point_offset = 0
         for particle in self:
-            for state in particle.states:
-                points.InsertNextPoint(state['r'])
+            for pt in particle.particle_tracks:
+                for state in pt.states:
+                    points.InsertNextPoint(state['r'])
 
             # Create VTK line and assign points to line.
-            n = particle.states.size
+            n = pt.states.size
             line = vtk.vtkPolyLine()
             line.GetPointIds().SetNumberOfIds(n)
             for i in range(n):

From 21b874f0be55d61f434397c7ff745e9fb2f97999 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Mon, 15 Aug 2022 13:39:47 +0100
Subject: [PATCH 0835/2654] review suggestions from @paulromano

---
 openmc/tracks.py            | 16 +++++++-------
 scripts/openmc-track-to-vtk | 42 +++++--------------------------------
 2 files changed, 13 insertions(+), 45 deletions(-)

diff --git a/openmc/tracks.py b/openmc/tracks.py
index 076ffc78d..55a5fb060 100644
--- a/openmc/tracks.py
+++ b/openmc/tracks.py
@@ -6,7 +6,7 @@ import h5py
 from .checkvalue import check_filetype_version
 from .source import SourceParticle, ParticleType
 
-
+from pathlib import Path
 ParticleTrack = namedtuple('ParticleTrack', ['particle', 'states'])
 ParticleTrack.__doc__ = """\
 Particle track information
@@ -266,18 +266,18 @@ class Tracks(list):
             track.plot(ax)
         return ax
 
-    def write_tracks_to_vtk(self, filename='tracks.vtk'):
-        """Creates a VTK file of the tracks
+    def write_tracks_to_vtk(self, filename=Path('tracks.vtk')):
+        """Creates a VTP file of the tracks
 
         Parameters
         ----------
-        filename : str
+        filename : path-like
             Name of the VTK file to write.
 
         Returns
         -------
-        vtk.vtkStructuredGrid
-            the VTK object
+        vtk.vtkPolyData
+            the VTK vtkPolyData object produced
         """
 
         import vtk
@@ -312,10 +312,10 @@ class Tracks(list):
             writer.SetInputData(data)
         else:
             writer.SetInput(data)
-        writer.SetFileName(filename)
+        writer.SetFileName(str(filename))  # SetFileName requires a string
         writer.Write()
 
-        return filename
+        return data
 
     @staticmethod
     def combine(track_files, path='tracks.h5'):
diff --git a/scripts/openmc-track-to-vtk b/scripts/openmc-track-to-vtk
index 3b3507974..118e65827 100755
--- a/scripts/openmc-track-to-vtk
+++ b/scripts/openmc-track-to-vtk
@@ -14,8 +14,8 @@ def _parse_args():
     # Create argument parser.
     parser = argparse.ArgumentParser(
         description='Convert particle track file(s) to a .pvtp file.')
-    parser.add_argument('input', metavar='IN', type=str, nargs='+',
-                        help='Input particle track data filename(s).')
+    parser.add_argument('input', metavar='IN', type=str,
+                        help='Input particle track data filename.')
     parser.add_argument('-o', '--out', metavar='OUT', type=str, dest='out',
                         help='Output VTK poly data filename.')
 
@@ -33,41 +33,9 @@ def main():
     elif not args.out.endswith('.pvtp'):
         args.out += '.pvtp'
 
-    # Initialize data arrays and offset.
-    points = vtk.vtkPoints()
-    cells = vtk.vtkCellArray()
-    point_offset = 0
-    for fname in args.input:
-        # Write coordinate values to points array.
-        track_file = openmc.Tracks(fname)
-        for track in track_file:
-            for particle in track:
-                for state in particle.states:
-                    points.InsertNextPoint(state['r'])
-
-                # Create VTK line and assign points to line.
-                n = particle.states.size
-                line = vtk.vtkPolyLine()
-                line.GetPointIds().SetNumberOfIds(n)
-                for i in range(n):
-                    line.GetPointIds().SetId(i, point_offset + i)
-                point_offset += n
-
-                # Add line to cell array
-                cells.InsertNextCell(line)
-
-    data = vtk.vtkPolyData()
-    data.SetPoints(points)
-    data.SetLines(cells)
-
-    writer = vtk.vtkXMLPPolyDataWriter()
-    if vtk.vtkVersion.GetVTKMajorVersion() > 5:
-        writer.SetInputData(data)
-    else:
-        writer.SetInput(data)
-    writer.SetFileName(args.out)
-    writer.Write()
-
+    # Write coordinate values to points array.
+    track_file = openmc.Tracks(args.input)
+    track_file.write_tracks_to_vtk(args.out)
 
 if __name__ == '__main__':
     main()

From 9847d053f35c62c8c5e73d702e938c6a2f9f8db0 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Mon, 15 Aug 2022 13:40:56 +0100
Subject: [PATCH 0836/2654] changed vtk file to vtp

---
 openmc/tracks.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/tracks.py b/openmc/tracks.py
index 55a5fb060..213a0867e 100644
--- a/openmc/tracks.py
+++ b/openmc/tracks.py
@@ -272,7 +272,7 @@ class Tracks(list):
         Parameters
         ----------
         filename : path-like
-            Name of the VTK file to write.
+            Name of the VTP file to write.
 
         Returns
         -------

From 809863c15ca760a708b62b5e844ebcb4aad2d3b7 Mon Sep 17 00:00:00 2001
From: myerspat <myerspat@umich.edu>
Date: Mon, 15 Aug 2022 10:18:45 -0400
Subject: [PATCH 0837/2654] Removed second region expression so search finding
 relys on region_

---
 include/openmc/cell.h |  9 ++-------
 src/cell.cpp          | 45 +++++++++++++++++++++----------------------
 src/geometry_aux.cpp  |  2 +-
 src/universe.cpp      |  4 ++--
 4 files changed, 27 insertions(+), 33 deletions(-)

diff --git a/include/openmc/cell.h b/include/openmc/cell.h
index 4d07b2619..0004a86c6 100644
--- a/include/openmc/cell.h
+++ b/include/openmc/cell.h
@@ -160,14 +160,12 @@ protected:
   //! \param[in] instance of the cell to find parent cells for
   //! \param[in] p particle used to do a fast search for parent cells
   //! \return parent cells
-  vector<ParentCell> find_parent_cells(
-    int32_t instance, Particle& p) const;
+  vector<ParentCell> find_parent_cells(int32_t instance, Particle& p) const;
 
   //! Determine the path to this cell instance in the geometry hierarchy
   //! \param[in] instance of the cell to find parent cells for
   //! \return parent cells
-  vector<ParentCell> exhaustive_find_parent_cells(
-    int32_t instance) const;
+  vector<ParentCell> exhaustive_find_parent_cells(int32_t instance) const;
 
   //! Inner function for retrieving contained cells
   void get_contained_cells_inner(
@@ -202,9 +200,6 @@ public:
 
   //! Definition of spatial region as Boolean expression of half-spaces
   vector<std::int32_t> region_;
-  //! Revised infix notation with no complements
-  vector<std::int32_t> region_no_complements_;
-  vector<std::int32_t> rpn_;
   bool simple_; //!< Does the region contain only intersections?
 
   //! \brief Neighboring cells in the same universe.
diff --git a/src/cell.cpp b/src/cell.cpp
index 12fb9f674..8224ba266 100644
--- a/src/cell.cpp
+++ b/src/cell.cpp
@@ -108,7 +108,7 @@ vector<int32_t> tokenize(const std::string region_spec)
 }
 
 //==============================================================================
-//! Add precedence for infix cell finding so intersections have higher
+//! Add precedence for infix regions so intersections have higher
 //! precedence than unions using parenthesis.
 //==============================================================================
 
@@ -165,11 +165,17 @@ void add_precedence(std::vector<int32_t>& infix)
   for (auto it = infix.begin(); it != infix.end(); it++) {
     int32_t token = *it;
 
+    // If the token is a union another operator has not been found set the
+    // current operator to union
+    // If the current operator is a union and the token is an intersection
+    // assert precedence 
+    // If the token is a parenthesis reset the current operator
     if (token == OP_UNION && current_op == 0) {
       current_op = OP_UNION;
 
     } else if (current_op == OP_UNION && token == OP_INTERSECTION) {
       it = add_parenthesis(it - 1, infix);
+      current_op = 0;
 
     } else if (token > OP_COMPLEMENT) {
       current_op = 0;
@@ -567,8 +573,10 @@ CSGCell::CSGCell(pugi::xml_node cell_node)
     region_spec = get_node_value(cell_node, "region");
   }
 
-  // Get a tokenized representation of the region specification
+  // Get a tokenized representation of the region specification and apply De
+  // Morgans law
   region_ = tokenize(region_spec);
+  remove_complement_ops(region_);
   region_.shrink_to_fit();
 
   // Convert user IDs to surface indices.
@@ -584,33 +592,26 @@ CSGCell::CSGCell(pugi::xml_node cell_node)
     }
   }
 
-  // Remove complement operators using De Morgan's law
-  region_no_complements_ = region_;
-  remove_complement_ops(region_no_complements_);
-
   // Check if this is a simple cell.
   simple_ = true;
-  for (int32_t token : region_no_complements_) {
+  for (int32_t token : region_) {
     if (token == OP_UNION) {
       simple_ = false;
+      // Ensure intersections have precedence over unions
+      add_precedence(region_);
       break;
     }
   }
 
   // If this cell is simple, remove all the superfluous operator tokens.
   if (simple_) {
-    for (auto it = region_no_complements_.begin();
-         it != region_no_complements_.end(); it++) {
+    for (auto it = region_.begin(); it != region_.end(); it++) {
       if (*it == OP_INTERSECTION || *it > OP_COMPLEMENT) {
-        region_no_complements_.erase(it);
+        region_.erase(it);
       }
     }
-  } else {
-    // Ensure intersections have precedence over unions
-    add_precedence(region_no_complements_);
-    rpn_ = generate_rpn(id_, region_no_complements_);
   }
-  region_no_complements_.shrink_to_fit();
+  region_.shrink_to_fit();
 
   // Read the translation vector.
   if (check_for_node(cell_node, "translation")) {
@@ -654,7 +655,7 @@ std::pair<double, int32_t> CSGCell::distance(
   double min_dist {INFTY};
   int32_t i_surf {std::numeric_limits<int32_t>::max()};
 
-  for (int32_t token : region_no_complements_) {
+  for (int32_t token : region_) {
     // Ignore this token if it corresponds to an operator rather than a region.
     if (token >= OP_UNION)
       continue;
@@ -709,7 +710,7 @@ void CSGCell::to_hdf5_inner(hid_t group_id) const
 BoundingBox CSGCell::bounding_box_simple() const
 {
   BoundingBox bbox;
-  for (int32_t token : region_no_complements_) {
+  for (int32_t token : region_) {
     bbox &= model::surfaces[abs(token) - 1]->bounding_box(token > 0);
   }
   return bbox;
@@ -819,15 +820,14 @@ BoundingBox CSGCell::bounding_box_complex(vector<int32_t> rpn)
 
 BoundingBox CSGCell::bounding_box() const
 {
-  return simple_ ? bounding_box_simple()
-                 : bounding_box_complex(rpn_);
+  return simple_ ? bounding_box_simple() : bounding_box_complex(region_);
 }
 
 //==============================================================================
 
 bool CSGCell::contains_simple(Position r, Direction u, int32_t on_surface) const
 {
-  for (int32_t token : region_no_complements_) {
+  for (int32_t token : region_) {
     // Assume that no tokens are operators. Evaluate the sense of particle with
     // respect to the surface and see if the token matches the sense. If the
     // particle's surface attribute is set and matches the token, that
@@ -854,8 +854,7 @@ bool CSGCell::contains_complex(
   bool in_cell = true;
 
   // For each token
-  for (auto it = region_no_complements_.begin();
-       it != region_no_complements_.end(); it++) {
+  for (auto it = region_.begin(); it != region_.end(); it++) {
     int32_t token = *it;
 
     // If the token is a surface evaluate the sense
@@ -899,7 +898,7 @@ bool CSGCell::contains_complex(
             break;
           }
         }
-      } while (it < region_no_complements_.end() - 1);
+      } while (it < region_.end() - 1);
     }
   }
   return in_cell;
diff --git a/src/geometry_aux.cpp b/src/geometry_aux.cpp
index 881af15b7..c3458d469 100644
--- a/src/geometry_aux.cpp
+++ b/src/geometry_aux.cpp
@@ -154,7 +154,7 @@ void partition_universes()
       // Collect the set of surfaces in this universe.
       std::unordered_set<int32_t> surf_inds;
       for (auto i_cell : univ->cells_) {
-        for (auto token : model::cells[i_cell]->region_no_complements_) {
+        for (auto token : model::cells[i_cell]->region_) {
           if (token < OP_UNION)
             surf_inds.insert(std::abs(token) - 1);
         }
diff --git a/src/universe.cpp b/src/universe.cpp
index dc6f751c2..873d03bb7 100644
--- a/src/universe.cpp
+++ b/src/universe.cpp
@@ -98,7 +98,7 @@ UniversePartitioner::UniversePartitioner(const Universe& univ)
   // Find all of the z-planes in this universe.  A set is used here for the
   // O(log(n)) insertions that will ensure entries are not repeated.
   for (auto i_cell : univ.cells_) {
-    for (auto token : model::cells[i_cell]->region_no_complements_) {
+    for (auto token : model::cells[i_cell]->region_) {
       if (token < OP_UNION) {
         auto i_surf = std::abs(token) - 1;
         const auto* surf = model::surfaces[i_surf].get();
@@ -125,7 +125,7 @@ UniversePartitioner::UniversePartitioner(const Universe& univ)
     // Find the tokens for bounding z-planes.
     int32_t lower_token = 0, upper_token = 0;
     double min_z, max_z;
-    for (auto token : model::cells[i_cell]->region_no_complements_) {
+    for (auto token : model::cells[i_cell]->region_) {
       if (token < OP_UNION) {
         const auto* surf = model::surfaces[std::abs(token) - 1].get();
         if (const auto* zplane = dynamic_cast<const SurfaceZPlane*>(surf)) {

From 3a2d4a9138f95ec8c47f705de7d782c50137459e Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <drshimwell@gmail.com>
Date: Mon, 15 Aug 2022 16:05:02 +0100
Subject: [PATCH 0838/2654] suggestions from code review by @paulromano

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/tracks.py                | 3 ++-
 tests/unit_tests/test_tracks.py | 7 ++++---
 2 files changed, 6 insertions(+), 4 deletions(-)

diff --git a/openmc/tracks.py b/openmc/tracks.py
index 213a0867e..671aa65cf 100644
--- a/openmc/tracks.py
+++ b/openmc/tracks.py
@@ -7,6 +7,7 @@ from .checkvalue import check_filetype_version
 from .source import SourceParticle, ParticleType
 
 from pathlib import Path
+
 ParticleTrack = namedtuple('ParticleTrack', ['particle', 'states'])
 ParticleTrack.__doc__ = """\
 Particle track information
@@ -266,7 +267,7 @@ class Tracks(list):
             track.plot(ax)
         return ax
 
-    def write_tracks_to_vtk(self, filename=Path('tracks.vtk')):
+    def write_tracks_to_vtk(self, filename=Path('tracks.vtp')):
         """Creates a VTP file of the tracks
 
         Parameters
diff --git a/tests/unit_tests/test_tracks.py b/tests/unit_tests/test_tracks.py
index d2548be64..5f3940fad 100644
--- a/tests/unit_tests/test_tracks.py
+++ b/tests/unit_tests/test_tracks.py
@@ -144,6 +144,7 @@ def test_filter(sphere_model, run_in_tmpdir):
 
 
 def test_write_tracks_to_vtk(sphere_model):
+    vtk = pytest.importorskip('vtk')
     # Set maximum number of tracks per process to write
     sphere_model.settings.max_tracks = 25
     sphere_model.settings.photon_transport = True
@@ -152,7 +153,7 @@ def test_write_tracks_to_vtk(sphere_model):
     generate_track_file(sphere_model, tracks=True)
 
     tracks = openmc.Tracks('tracks.h5')
-    filename = tracks.write_tracks_to_vtk('tracks.vtk')
+    polydata = tracks.write_tracks_to_vtk('tracks.vtp')
 
-    assert filename == 'tracks.vtk'
-    assert Path('tracks.vtk').is_file()
+    assert isinstance(polydata, vtk.vtkPolyData)
+    assert Path('tracks.vtp').is_file()

From 02f18152991d2d1992a71ff5feaa7f43e92d24ce Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 29 Jul 2022 10:08:33 -0500
Subject: [PATCH 0839/2654] Add missing versionadded directives

---
 openmc/data/kalbach_mann.py            | 5 +++++
 openmc/deplete/coupled_operator.py     | 6 ++++++
 openmc/deplete/independent_operator.py | 5 +++--
 openmc/deplete/microxs.py              | 8 +++++---
 openmc/filter.py                       | 2 ++
 openmc/material.py                     | 4 +++-
 openmc/region.py                       | 2 ++
 openmc/stats/univariate.py             | 2 ++
 openmc/universe.py                     | 6 ++++++
 openmc/weight_windows.py               | 4 +++-
 10 files changed, 37 insertions(+), 7 deletions(-)

diff --git a/openmc/data/kalbach_mann.py b/openmc/data/kalbach_mann.py
index a036da694..f98bb4186 100644
--- a/openmc/data/kalbach_mann.py
+++ b/openmc/data/kalbach_mann.py
@@ -178,6 +178,8 @@ def kalbach_slope(energy_projectile, energy_emitted, za_projectile,
     energies are not calculated with the AWR number, but approximated with
     the number of mass instead.
 
+    .. versionadded:: 0.13.1
+
     Parameters
     ----------
     energy_projectile : float
@@ -593,6 +595,9 @@ class KalbachMann(AngleEnergy):
         If the projectile is a neutron, the slope is calculated when it is
         not given explicitly.
 
+        .. versionchanged:: 0.13.1
+            Arguments changed to accommodate slope calculation
+
         Parameters
         ----------
         file_obj : file-like object
diff --git a/openmc/deplete/coupled_operator.py b/openmc/deplete/coupled_operator.py
index eba90f60d..dd14f282f 100644
--- a/openmc/deplete/coupled_operator.py
+++ b/openmc/deplete/coupled_operator.py
@@ -56,6 +56,7 @@ def _find_cross_sections(model):
         )
     return cross_sections
 
+
 def _get_nuclides_with_data(cross_sections):
     """Loads cross_sections.xml file to find nuclides with neutron data
 
@@ -81,6 +82,7 @@ def _get_nuclides_with_data(cross_sections):
 
     return nuclides
 
+
 class CoupledOperator(OpenMCOperator):
     """Transport-coupled transport operator.
 
@@ -93,6 +95,9 @@ class CoupledOperator(OpenMCOperator):
         The geometry and settings parameters have been replaced with a
         model parameter that takes a :class:`~openmc.model.Model` object
 
+    .. versionchanged:: 0.13.1
+        Name changed from ``Operator`` to ``CoupledOperator``
+
     Parameters
     ----------
     model : openmc.model.Model
@@ -534,6 +539,7 @@ class CoupledOperator(OpenMCOperator):
         if self.cleanup_when_done:
             openmc.lib.finalize()
 
+
 # Retain deprecated name for the time being
 def Operator(*args, **kwargs):
     # warn of name change
diff --git a/openmc/deplete/independent_operator.py b/openmc/deplete/independent_operator.py
index a2d89e441..20267f948 100644
--- a/openmc/deplete/independent_operator.py
+++ b/openmc/deplete/independent_operator.py
@@ -6,8 +6,6 @@ transport solver by using user-provided one-group cross sections.
 """
 
 import copy
-from collections import OrderedDict
-from warnings import warn
 from itertools import product
 
 import numpy as np
@@ -22,6 +20,7 @@ from .microxs import MicroXS
 from .results import Results
 from .helpers import ChainFissionHelper, ConstantFissionYieldHelper, SourceRateHelper
 
+
 class IndependentOperator(OpenMCOperator):
     """Transport-independent transport operator that uses one-group cross
     sections to calculate reaction rates.
@@ -32,6 +31,8 @@ class IndependentOperator(OpenMCOperator):
     passed to an integrator class, such as
     :class:`openmc.deplete.CECMIntegrator`.
 
+    .. versionadded:: 0.13.1
+
     Parameters
     ----------
     materials : openmc.Materials
diff --git a/openmc/deplete/microxs.py b/openmc/deplete/microxs.py
index ccbfab538..72d87d3b7 100644
--- a/openmc/deplete/microxs.py
+++ b/openmc/deplete/microxs.py
@@ -25,8 +25,10 @@ _valid_rxns.append('fission')
 
 
 class MicroXS(DataFrame):
-    """Stores microscopic cross section data for use in
-    transport-independent depletion.
+    """Microscopic cross section data for use in transport-independent depletion.
+
+    .. versionadded:: 0.13.1
+
     """
 
     @classmethod
@@ -59,7 +61,7 @@ class MicroXS(DataFrame):
         energy_bound : 2-tuple of float, optional
             Bounds for the energy group.
         run_kwargs : dict, optional
-            Keyword arguments for :meth:`openmc.model.Model.run()`
+            Keyword arguments passed to :meth:`openmc.model.Model.run`
 
         Returns
         -------
diff --git a/openmc/filter.py b/openmc/filter.py
index d7ab3f27e..7874a775b 100644
--- a/openmc/filter.py
+++ b/openmc/filter.py
@@ -1340,6 +1340,8 @@ class EnergyFilter(RealFilter):
     def from_group_structure(cls, group_structure):
         """Construct an EnergyFilter instance from a standard group structure.
 
+        .. versionadded:: 0.13.1
+
         Parameters
         ----------
         group_structure : str
diff --git a/openmc/material.py b/openmc/material.py
index 6c23d3319..167eaba84 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -463,6 +463,8 @@ class Material(IDManagerMixin):
     def remove_element(self, element):
         """Remove an element from the material
 
+        .. versionadded:: 0.13.1
+
         Parameters
         ----------
         element : str
@@ -918,7 +920,7 @@ class Material(IDManagerMixin):
         Returns
         -------
         Union[dict, float]
-            If by_nuclide is True then a dictionary whose keys are nuclide 
+            If by_nuclide is True then a dictionary whose keys are nuclide
             names and values are activity is returned. Otherwise the activity
             of the material is returned as a float.
         """
diff --git a/openmc/region.py b/openmc/region.py
index 4e74a08ad..5d0e68020 100644
--- a/openmc/region.py
+++ b/openmc/region.py
@@ -269,6 +269,8 @@ class Region(ABC):
         inplace : bool
             Whether or not to return a region based on new surfaces or one based
             on the original surfaces that have been modified.
+
+            .. versionadded:: 0.13.1
         memo : dict or None
             Dictionary used for memoization. This parameter is used internally
             and should not be specified by the user.
diff --git a/openmc/stats/univariate.py b/openmc/stats/univariate.py
index 0c3052625..d6b8a7573 100644
--- a/openmc/stats/univariate.py
+++ b/openmc/stats/univariate.py
@@ -205,6 +205,8 @@ class Discrete(Univariate):
     def merge(cls, dists, probs):
         """Merge multiple discrete distributions into a single distribution
 
+        .. versionadded:: 0.13.1
+
         Parameters
         ----------
         dists : iterable of openmc.stats.Discrete
diff --git a/openmc/universe.py b/openmc/universe.py
index 4aa1775fb..081fff4ff 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -644,6 +644,8 @@ class DAGMCUniverse(UniverseBase):
     bounding_box : 2-tuple of numpy.array
         Lower-left and upper-right coordinates of an axis-aligned bounding box
         of the universe.
+
+        .. versionadded:: 0.13.1
     """
 
     def __init__(self,
@@ -726,6 +728,9 @@ class DAGMCUniverse(UniverseBase):
     def bounding_region(self, bounded_type='box', boundary_type='vacuum', starting_id=10000):
         """Creates a either a spherical or box shaped bounding region around
         the DAGMC geometry.
+
+        .. versionadded:: 0.13.1
+
         Parameters
         ----------
         bounded_type : str
@@ -740,6 +745,7 @@ class DAGMCUniverse(UniverseBase):
             Starting ID of the surface(s) used in the region. For bounded_type
             'box', the next 5 IDs will also be used. Defaults to 10000 to reduce
             the chance of an overlap of surface IDs with the DAGMC geometry.
+
         Returns
         -------
         openmc.Region
diff --git a/openmc/weight_windows.py b/openmc/weight_windows.py
index c5b7a00b6..9183bb08b 100644
--- a/openmc/weight_windows.py
+++ b/openmc/weight_windows.py
@@ -409,7 +409,9 @@ class WeightWindows(IDManagerMixin):
 
 
 def wwinp_to_wws(path):
-    """Creates WeightWindows classes from a wwinp file
+    """Create WeightWindows instances from a wwinp file
+
+    .. versionadded:: 0.13.1
 
     Parameters
     ----------

From 70598087cd8d735c7fd8d122893dcd74b10a7d43 Mon Sep 17 00:00:00 2001
From: Lewis Gross <43077972+lewisgross1296@users.noreply.github.com>
Date: Mon, 15 Aug 2022 13:33:49 -0500
Subject: [PATCH 0840/2654] forgot to change name of arrgument from id to index
 in header

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 include/openmc/capi.h | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/include/openmc/capi.h b/include/openmc/capi.h
index e04d4898e..29e900965 100644
--- a/include/openmc/capi.h
+++ b/include/openmc/capi.h
@@ -118,7 +118,7 @@ int openmc_regular_mesh_get_params(
 int openmc_regular_mesh_set_dimension(int32_t index, int n, const int* dims);
 int openmc_regular_mesh_set_params(int32_t index, int n, const double* ll,
   const double* ur, const double* width);
-int openmc_remove_tally(int32_t id);
+int openmc_remove_tally(int32_t index);
 int openmc_reset();
 int openmc_reset_timers();
 int openmc_run();

From c772972808674b94f602af5fe854adcf4da3d3e3 Mon Sep 17 00:00:00 2001
From: Lewis Gross <43077972+lewisgross1296@users.noreply.github.com>
Date: Mon, 15 Aug 2022 13:34:19 -0500
Subject: [PATCH 0841/2654] add space for compliant formatting

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/lib/tally.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/lib/tally.py b/openmc/lib/tally.py
index c1c8ab094..0be2f9ed5 100644
--- a/openmc/lib/tally.py
+++ b/openmc/lib/tally.py
@@ -402,7 +402,7 @@ class _TallyMapping(Mapping):
     def __repr__(self):
         return repr(dict(self))
 
-    def __delitem__(self,key):
+    def __delitem__(self, key):
         """Delete a tally from tally vector and remove the ID,index pair from tally"""
         _dll.openmc_remove_tally(self._get_tally_index(key))
 

From 7b0189125906fbc8e351cae1e54933e6369bc6f4 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 29 Jul 2022 10:08:47 -0500
Subject: [PATCH 0842/2654] Start release notes for 0.13.1

---
 docs/source/pythonapi/stats.rst     |   7 ++
 docs/source/releasenotes/0.13.1.rst | 179 ++++++++++++++++++++++++++++
 docs/source/releasenotes/index.rst  |   1 +
 3 files changed, 187 insertions(+)
 create mode 100644 docs/source/releasenotes/0.13.1.rst

diff --git a/docs/source/pythonapi/stats.rst b/docs/source/pythonapi/stats.rst
index 1d4ef0302..b4f115854 100644
--- a/docs/source/pythonapi/stats.rst
+++ b/docs/source/pythonapi/stats.rst
@@ -51,3 +51,10 @@ Spatial Distributions
    openmc.stats.SphericalIndependent
    openmc.stats.Box
    openmc.stats.Point
+
+.. autosummary::
+   :toctree: generated
+   :nosignatures:
+   :template: myfunction.rst
+
+   openmc.stats.spherical_uniform
diff --git a/docs/source/releasenotes/0.13.1.rst b/docs/source/releasenotes/0.13.1.rst
new file mode 100644
index 000000000..501d54090
--- /dev/null
+++ b/docs/source/releasenotes/0.13.1.rst
@@ -0,0 +1,179 @@
+====================
+What's New in 0.13.1
+====================
+
+.. currentmodule:: openmc
+
+-------
+Summary
+-------
+
+This release of OpenMC includes many bug fixes as well as improvements in
+geometry modeling, mesh functionality, source specification, depletion
+capabilities, and other general enhancements. The depletion module features a
+new transport operator, :class:`openmc.deplete.IndependentOperator`, that allows
+a depletion calculation to be performed using arbitrary one-group cross sections
+(e.g., generated by an external solver). The track file generation capability
+has been significantly overhauled and a new :class:`openmc.Tracks` class was
+introduced to allow access to information in track files from the Python API.
+Support has been added for new ENDF thermal scattering evaluations that use
+mixed coherent/incoherent elastic scattering.
+
+------------------------------------
+Compatibility Notes and Deprecations
+------------------------------------
+
+- The ``openmc.deplete.Operator`` class has been renamed
+  :class:`openmc.deplete.CoupledOperator`.
+- The ``openmc.deplete.ResultsList`` class has been renamed to
+  :class:`openmc.deplete.Results` and no longer requires you to call the
+  ``from_hdf5()`` method in order to create it; instead, you can directly
+  instantiate it.
+- A few methods that represent k-effective have been renamed for the sake of
+  consistency:
+
+  - ``openmc.StatePoint.k_combined`` is now :attr:`openmc.StatePoint.keff`
+  - ``openmc.deplete.ResultsList.get_eigenvalue`` is now
+    :meth:`openmc.deplete.Results.get_keff`
+
+- The :class:`openmc.stats.SphericalIndependent` class, which used to
+  accept a distribution for ``theta`` now accepts a distribution for ``cos_theta``
+  instead in order to more easily handle the common case of specifying a uniform
+  spatial distribution over a sphere (also see the new
+  :func:`openmc.stats.spherical_uniform` function).
+
+- If you are building OpenMC from source, note that several of our CMake options
+  have been changed:
+
+  ==========  ======================
+  Old option  New option
+  ==========  ======================
+  debug       ---
+  optimize    ---
+  profile     OPENMC_ENABLE_PROFILE
+  coverage    OPENMC_ENABLE_COVERAGE
+  openmp      OPENMC_USE_OPENMP
+  ---         OPENMC_USE_MPI
+  dagmc       OPENMC_USE_DAGMC
+  libmesh     OPENMC_USE_LIBMESH
+  ==========  ======================
+
+  The ``debug`` and ``optimize`` options have been removed; instead, use the
+  standard `CMAKE_BUILD_TYPE
+  <https://cmake.org/cmake/help/latest/variable/CMAKE_BUILD_TYPE.html>`_
+  variable.
+
+------------
+New Features
+------------
+
+- An :class:`openmc.model.IsogonalOctagon` composite surface.
+- The :class:`~openmc.DAGMCUniverse` class now has a
+  :attr:`~openmc.DAGMCUniverse.bounding_box` attribute and a
+  :meth:`~openmc.DAGMCUniverse.bounding_region` method.
+- When translating a :class:`~openmc.Region` using the
+  :meth:`~openmc.Region.translate` method, there is now an ``inplace`` argument.
+- The :class:`~openmc.Material` class has several new methods and attributes:
+
+  - The :meth:`~openmc.Material.add_components` methods allows you to add
+    multiple nuclides/elements to a material with a single call by passing a
+    dictionary.
+  - The :meth:`~openmc.Material.get_activity` method returns the activity of a
+    material in Bq, Bq/g, or Bq/cm³.
+  - The :meth:`~openmc.Material.remove_element` method removes an element from a
+    material
+  - The :meth:`~openmc.Material.get_nuclide_atoms` method gives the number of
+    atoms of each nuclide in a material
+
+- All mesh classes now have a ``volumes`` property that provides the volume of
+  each mesh element as well as ``write_data_to_vtk`` methods.
+- Support for externally managed MOAB meshes or libMesh meshes.
+- Multiple discrete distributions can be merged with the new
+  :meth:`~openmc.stats.Discrete.merge` method.
+- The :func:`openmc.stats.spherical_uniform` function creates a uniform
+  distribution over a sphere using the
+  :class:`~openmc.stats.SphericalIndependent` class.
+- Univariate distributions in the :mod:`openmc.stats` module now have
+  ``sample()`` methods.
+- An ``openmc_sample_external_source`` function has been added to the C API with
+  a corresponding Python binding :func:`openmc.lib.sample_external_source`.
+- The track file generation capability has been completely overhauled. Track
+  files now include much more information, and a new :class:`~openmc.TrackFile`
+  class allows access to track file information from the Python API. Multiple
+  tracks are now written to a single file (one per MPI rank).
+- A new :func:`openmc.wwinp_to_wws` function that converts weight windows from a
+  ``wwinp`` file to a list of :class:`~openmc.WeightWindows` objects.
+- The new :meth:`openmc.EnergyFilter.from_group_structure` method provides a
+  way of creating an energy filter with a group structure identified by name.
+- The :class:`openmc.data.Decay` class now has a
+  :attr:`~openmc.data.Decay.sources` property that provides radioactive decay
+  source distributions.
+- A :class:`openmc.mgxs.ReducedAbsorptionXS` class produces a multigroup cross
+  section representing "reduced" absorption (absorption less neutron production
+  from (n,xn) reactions).
+- Added support in the Python API and HDF5 nuclear data format for new ENDF
+  thermal neutron scattering evaluations with mixed coherent elastic and
+  incoherent elastic.
+- CMake now relies on ``find_package(MPI)`` for a more standard means of
+  identifying an MPI compiler configuration.
+
+---------
+Bug Fixes
+---------
+
+- `Fix bug when a rotation matrix is passed to Halfspace.rotate <https://github.com/openmc-dev/openmc/pull/1974>`_
+- `Fix bug for spherical mesh string repr <https://github.com/openmc-dev/openmc/pull/1983>`_
+- `Fix package_data specification to include pyx files <https://github.com/openmc-dev/openmc/pull/1989>`_
+- `Allow meshes with same ID to appear in multiple files <https://github.com/openmc-dev/openmc/pull/1990>`_
+- `Fix overwritten variable in get_libraries_from_xsdata <https://github.com/openmc-dev/openmc/pull/1994>`_
+- `Write output files to correct directory <https://github.com/openmc-dev/openmc/pull/1998>`_
+- `Allow CMake to properly find third-party packages <https://github.com/openmc-dev/openmc/pull/2006>`_
+- `Fix Region.from_expression when ")(" appears in specification <https://github.com/openmc-dev/openmc/pull/2012>`_
+- `Move lost particle reset from finalize() to reset() <https://github.com/openmc-dev/openmc/pull/2015>`_
+- `Minor typo fixes in test_lattice.py <https://github.com/openmc-dev/openmc/pull/2024>`_
+- `Fix color assignment in Universe.plot <https://github.com/openmc-dev/openmc/pull/2034>`_
+- `Several depletion-related fixes <https://github.com/openmc-dev/openmc/pull/2037>`_
+- `Allow control of C++ standard used by compiler <https://github.com/openmc-dev/openmc/pull/2040/files>`_
+- `Fix IO format documentation for surface source read/write <https://github.com/openmc-dev/openmc/pull/2048>`_
+- `Make sure basis gets set in Plot.from_geometry <https://github.com/openmc-dev/openmc/pull/2050>`_
+- `Improve robustness of torus distance calculation <https://github.com/openmc-dev/openmc/pull/2053>`_
+- `Allow use of redundant fission when adjusting KERMA in from_njoy <https://github.com/openmc-dev/openmc/pull/2055>`_
+- `Disable GNU extensions for CMake target <https://github.com/openmc-dev/openmc/pull/2072>`_
+- `Two from_xml fixes <https://github.com/openmc-dev/openmc/pull/2074>`_
+- `Fix for rare infinite loop when finding cell <https://github.com/openmc-dev/openmc/pull/2075>`_
+- `Allow photon heating to be tallied by nuclide <https://github.com/openmc-dev/openmc/pull/2076>`_
+- `Use UTF-8 encoding when reading dose coefficients <https://github.com/openmc-dev/openmc/pull/2078>`_
+- `Fix a corner case in Region.from_expression <https://github.com/openmc-dev/openmc/pull/2081>`_
+- `Fix bug in spherical and cylindrical meshes <https://github.com/openmc-dev/openmc/pull/2108>`_
+- `Ensure weight window bounds are flattened when writing to XML <https://github.com/openmc-dev/openmc/pull/2113>`_
+- `Fix for std::cout sync bug in output.cpp <https://github.com/openmc-dev/openmc/pull/2122>`_
+- `Allow compiling against fmt v9 <https://github.com/openmc-dev/openmc/pull/2136>`_
+- `Fix TimeFilter for small time intervals <https://github.com/openmc-dev/openmc/pull/2168>`_
+
+------------
+Contributors
+------------
+
+- `David Andrs <https://github.com/andrsd>`_
+- `Hunter Belanger <https://github.com/HunterBelanger>`_
+- `Helen Brooks <https://github.com/helen-brooks>`_
+- `Rémi Delaporte-Mathurin <https://github.com/RemDelaporteMathurin>`_
+- `Joffrey Dorville <https://github.com/JoffreyDorville>`_
+- `Christopher Fichtlscherer <https://github.com/cfichtlscherer>`_
+- `Lewis Gross <https://github.com/lewisgross1296>`_
+- `Andrew Johnson <https://github.com/drewejohnson>`_
+- `Kalin Kiesling <https://github.com/kkiesling>`_
+- `Amanda Lund <https://github.com/amandalund>`_
+- `Richard Morrison <https://github.com/richmorrison>`_
+- `Patrick Myers <https://github.com/myerspat>`_
+- `Adam Nelson <https://github.com/nelsonag>`_
+- `April Novak <https://github.com/aprilnovak>`_
+- `Ethan Peterson <https://github.com/eepeterson>`_
+- `Gavin Ridley <https://github.com/gridley>`_
+- `Paul Romano <https://github.com/paulromano>`_
+- `Jonathan Shimwell <https://github.com/Shimwell>`_
+- `Patrick Shriwise <https://github.com/pshriwise>`_
+- `Amelia Trainer <https://github.com/ameliojo>`_
+- `John Tramm <https://github.com/jtramm>`_
+- `Bob Urberger <https://github.com/burberger>`_
+- `Olek Yardas <https://github.com/yardasol>`_
diff --git a/docs/source/releasenotes/index.rst b/docs/source/releasenotes/index.rst
index 75db7ebc9..34ddb285a 100644
--- a/docs/source/releasenotes/index.rst
+++ b/docs/source/releasenotes/index.rst
@@ -7,6 +7,7 @@ Release Notes
 .. toctree::
   :maxdepth: 1
 
+  0.13.1
   0.13.0
   0.12.2
   0.12.1

From 28b8f9ecc565c1fcfe5716dd31fc126a0c911044 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 12 Aug 2022 14:37:39 -0500
Subject: [PATCH 0843/2654] Change Operator --> CoupledOperator in a few places

---
 examples/pincell_depletion/restart_depletion.py       | 2 +-
 examples/pincell_depletion/run_depletion.py           | 2 +-
 openmc/model/model.py                                 | 6 +++---
 tests/regression_tests/deplete_with_transport/test.py | 2 +-
 tests/unit_tests/test_deplete_activation.py           | 4 ++--
 5 files changed, 8 insertions(+), 8 deletions(-)

diff --git a/examples/pincell_depletion/restart_depletion.py b/examples/pincell_depletion/restart_depletion.py
index 95bbb9954..6bb715f3b 100644
--- a/examples/pincell_depletion/restart_depletion.py
+++ b/examples/pincell_depletion/restart_depletion.py
@@ -43,7 +43,7 @@ model = openmc.Model(geometry=geometry, settings=settings)
 
 # Create depletion "operator"
 chain_file = 'chain_simple.xml'
-op = openmc.deplete.Operator(model, chain_file, previous_results)
+op = openmc.deplete.CoupledOperator(model, chain_file, previous_results)
 
 # Perform simulation using the predictor algorithm
 time_steps = [1.0, 1.0, 1.0, 1.0, 1.0]  # days
diff --git a/examples/pincell_depletion/run_depletion.py b/examples/pincell_depletion/run_depletion.py
index ae069334e..6a6c25f59 100644
--- a/examples/pincell_depletion/run_depletion.py
+++ b/examples/pincell_depletion/run_depletion.py
@@ -88,7 +88,7 @@ model = openmc.Model(geometry=geometry, settings=settings)
 
 # Create depletion "operator"
 chain_file = 'chain_simple.xml'
-op = openmc.deplete.Operator(model, chain_file)
+op = openmc.deplete.CoupledOperator(model, chain_file)
 
 # Perform simulation using the predictor algorithm
 time_steps = [1.0, 1.0, 1.0, 1.0, 1.0]  # days
diff --git a/openmc/model/model.py b/openmc/model/model.py
index 52c52154e..ab99ac978 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -331,7 +331,7 @@ class Model:
             Indicate whether or not a transport solve should be run at the end
             of the last timestep. Defaults to running this transport solve.
         operator_kwargs : dict
-            Keyword arguments passed to the depletion Operator initializer
+            Keyword arguments passed to the depletion operator initializer
             (e.g., :func:`openmc.deplete.Operator`)
         directory : str, optional
             Directory to write XML files to. If it doesn't exist already, it
@@ -360,8 +360,8 @@ class Model:
 
         with _change_directory(Path(directory)):
             with openmc.lib.quiet_dll(output):
-                depletion_operator = \
-                    dep.Operator(self, **op_kwargs)
+                # TODO: Support use of IndependentOperator too
+                depletion_operator = dep.CoupledOperator(self, **op_kwargs)
 
             # Tell depletion_operator.finalize NOT to clear C API memory when
             # it is done
diff --git a/tests/regression_tests/deplete_with_transport/test.py b/tests/regression_tests/deplete_with_transport/test.py
index 0c2a4cd97..58065035f 100644
--- a/tests/regression_tests/deplete_with_transport/test.py
+++ b/tests/regression_tests/deplete_with_transport/test.py
@@ -53,7 +53,7 @@ def test_full(run_in_tmpdir, problem, multiproc):
 
     # Create operator
     chain_file = Path(__file__).parents[2] / 'chain_simple.xml'
-    op = openmc.deplete.Operator(model, chain_file)
+    op = openmc.deplete.CoupledOperator(model, chain_file)
     op.round_number = True
 
     # Power and timesteps
diff --git a/tests/unit_tests/test_deplete_activation.py b/tests/unit_tests/test_deplete_activation.py
index cb3b86b9c..1842ad8ac 100644
--- a/tests/unit_tests/test_deplete_activation.py
+++ b/tests/unit_tests/test_deplete_activation.py
@@ -64,7 +64,7 @@ def test_activation(run_in_tmpdir, model, reaction_rate_mode, reaction_rate_opts
     chain.export_to_xml('test_chain.xml')
 
     # Create transport operator
-    op = openmc.deplete.Operator(
+    op = openmc.deplete.CoupledOperator(
         model, 'test_chain.xml',
         normalization_mode="source-rate",
         reaction_rate_mode=reaction_rate_mode,
@@ -144,7 +144,7 @@ def test_decay(run_in_tmpdir):
 
     model = openmc.Model(geometry=geometry, settings=settings)
     # Create transport operator
-    op = openmc.deplete.Operator(
+    op = openmc.deplete.CoupledOperator(
         model, 'test_chain.xml', normalization_mode="source-rate"
     )
 

From c252930c4990fa71e3f00ec7d3e90dd4df7116d1 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Mon, 15 Aug 2022 12:33:24 -0500
Subject: [PATCH 0844/2654] Support passing Path objects to Summary()

---
 openmc/summary.py | 8 +++++++-
 1 file changed, 7 insertions(+), 1 deletion(-)

diff --git a/openmc/summary.py b/openmc/summary.py
index 41bae7f26..43224334d 100644
--- a/openmc/summary.py
+++ b/openmc/summary.py
@@ -14,6 +14,11 @@ _VERSION_SUMMARY = 6
 class Summary:
     """Summary of model used in a simulation.
 
+    Parameters
+    ----------
+    filename : str or path-like
+        Path to file to load
+
     Attributes
     ----------
     date_and_time : str
@@ -33,8 +38,9 @@ class Summary:
     """
 
     def __init__(self, filename):
+        filename = str(filename)
         if not filename.endswith(('.h5', '.hdf5')):
-            msg = 'Unable to open "{0}" which is not an HDF5 summary file'
+            msg = f'Unable to open "{filename}" which is not an HDF5 summary file'
             raise ValueError(msg)
 
         self._f = h5py.File(filename, 'r')

From d69a6ec647d7f78eac7cf25586df9ab2ae2dec41 Mon Sep 17 00:00:00 2001
From: lewisgross1296 <ligross@wisc.edu>
Date: Mon, 15 Aug 2022 13:43:53 -0500
Subject: [PATCH 0845/2654] [skip ci] erasing the tally from the tallies vector
 calls the destructor, which already handles removing this tally from the map

---
 src/tallies/tally.cpp | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/src/tallies/tally.cpp b/src/tallies/tally.cpp
index f45fae994..59adce455 100644
--- a/src/tallies/tally.cpp
+++ b/src/tallies/tally.cpp
@@ -1281,8 +1281,8 @@ extern "C" int openmc_remove_tally(int32_t index)
   }
   // grab tally so it's ID can be obtained to remove the (ID,index) pair from tally_map
   auto& tally = model::tallies[index];
-  model::tally_map.erase(tally->id_);
   // delete the tally via iterator pointing to correct position
+  // this calls the Tally destructor, removing the tally from the map as well
   model::tallies.erase(model::tallies.begin() + index);
 
   return 0;

From 7fdd96a5734d2accedabcd1b6c0397230b3a04c3 Mon Sep 17 00:00:00 2001
From: lewisgross1296 <ligross@wisc.edu>
Date: Mon, 15 Aug 2022 13:46:26 -0500
Subject: [PATCH 0846/2654] forgot a space for formatting requirements

---
 openmc/lib/tally.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/lib/tally.py b/openmc/lib/tally.py
index 0be2f9ed5..79f1193e6 100644
--- a/openmc/lib/tally.py
+++ b/openmc/lib/tally.py
@@ -406,7 +406,7 @@ class _TallyMapping(Mapping):
         """Delete a tally from tally vector and remove the ID,index pair from tally"""
         _dll.openmc_remove_tally(self._get_tally_index(key))
 
-    def _get_tally_index(self,key):
+    def _get_tally_index(self, key):
         """Given the ID, return the index"""
         index = c_int32()
         try:

From 82bbf7141352cac21295bac96d6e691692a170de Mon Sep 17 00:00:00 2001
From: myerspat <myerspat@umich.edu>
Date: Mon, 15 Aug 2022 15:04:03 -0400
Subject: [PATCH 0847/2654] Reduced contains_complex to one while loop

---
 include/openmc/cell.h |   4 +-
 src/cell.cpp          | 125 ++++++++++++++++++++++--------------------
 src/geometry_aux.cpp  |   2 +-
 src/universe.cpp      |   4 +-
 4 files changed, 72 insertions(+), 63 deletions(-)

diff --git a/include/openmc/cell.h b/include/openmc/cell.h
index 0004a86c6..23cd0130a 100644
--- a/include/openmc/cell.h
+++ b/include/openmc/cell.h
@@ -199,7 +199,9 @@ public:
   vector<double> sqrtkT_;
 
   //! Definition of spatial region as Boolean expression of half-spaces
-  vector<std::int32_t> region_;
+  vector<int32_t> region_;
+  //! Region in infix that may be modified depending on simplicity
+  vector<int32_t> region_infix_;
   bool simple_; //!< Does the region contain only intersections?
 
   //! \brief Neighboring cells in the same universe.
diff --git a/src/cell.cpp b/src/cell.cpp
index 8224ba266..a663d1144 100644
--- a/src/cell.cpp
+++ b/src/cell.cpp
@@ -115,46 +115,62 @@ vector<int32_t> tokenize(const std::string region_spec)
 std::vector<int32_t>::iterator add_parenthesis(
   std::vector<int32_t>::iterator start, std::vector<int32_t>& infix)
 {
+  int32_t start_token = *start;
   // Add left parenthesis
-  start = infix.insert(start, OP_LEFT_PAREN);
-  start = start + 2;
+  if (start_token == OP_INTERSECTION) {
+    start = infix.insert(start - 1, OP_LEFT_PAREN);
+  } else {
+    start = infix.insert(start + 1, OP_LEFT_PAREN);
+  }
+  start++;
 
   // Initialize return iterator
-  std::vector<int32_t>::iterator return_iterator = infix.end() - 1;
+  std::vector<int32_t>::iterator return_iterator = infix.begin();
 
   // Add right parenthesis
   // While the start iterator is within the bounds of infix
   while (start < infix.end()) {
     start++;
 
-    // If we find a union or right parenthesis not wrapped by
-    // left and right parenthesis then place a right parenthesis,
-    // If we find a wrapped region return an iterator pointing to
-    // that wrapped region and continue looking to place a
-    // right parenthesis
-    if (*start == OP_UNION || *start == OP_RIGHT_PAREN) {
-      start = infix.insert(start, OP_RIGHT_PAREN);
-      return start - 1;
-
-    } else if (*start == OP_LEFT_PAREN) {
-      return_iterator = start;
-      int depth = 1;
-      do {
-        start++;
-        if (*start > OP_COMPLEMENT) {
-          if (*start == OP_RIGHT_PAREN) {
-            depth--;
-          } else {
-            depth++;
+    // If the current token is an operator and is different than the start token
+    if (*start >= OP_UNION && *start != start_token) {
+      // Skip wraped regions but save iterator position to check precedence and
+      // add right parenthesis depending on the precedence of the original token
+      // when a right parenthesis is encountered of the opposite token
+      if (*start == OP_LEFT_PAREN) {
+        return_iterator = start;
+        int depth = 1;
+        do {
+          start++;
+          if (*start > OP_COMPLEMENT) {
+            if (*start == OP_RIGHT_PAREN) {
+              depth--;
+            } else {
+              depth++;
+            }
           }
+        } while (depth > 0);
+      } else if (start_token == OP_UNION) {
+        start = infix.insert(start - 1, OP_RIGHT_PAREN);
+        if (return_iterator == infix.begin()) {
+          return_iterator = start - 1;
         }
-      } while (depth > 0);
+        return return_iterator;
+      } else {
+        start = infix.insert(start, OP_RIGHT_PAREN);
+        if (return_iterator == infix.begin()) {
+          return_iterator = start - 1;
+        }
+        return return_iterator;
+      }
     }
   }
-
   // If we get here a right parenthesis hasn't been placed,
   // return iterator
   infix.push_back(OP_RIGHT_PAREN);
+  if (return_iterator == infix.begin()) {
+    return_iterator = start - 1;
+  }
   return return_iterator;
 }
 
@@ -168,15 +184,15 @@ void add_precedence(std::vector<int32_t>& infix)
     // If the token is a union another operator has not been found set the
     // current operator to union
     // If the current operator is a union and the token is an intersection
-    // assert precedence 
+    // assert precedence
     // If the token is a parenthesis reset the current operator
-    if (token == OP_UNION && current_op == 0) {
-      current_op = OP_UNION;
-
-    } else if (current_op == OP_UNION && token == OP_INTERSECTION) {
-      it = add_parenthesis(it - 1, infix);
-      current_op = 0;
-
+    if (token == OP_UNION || token == OP_INTERSECTION) {
+      if (current_op == 0) {
+        current_op = token;
+      } else if (token != current_op) {
+        it = add_parenthesis(it, infix);
+        current_op = 0;
+      }
     } else if (token > OP_COMPLEMENT) {
       current_op = 0;
     }
@@ -577,7 +593,6 @@ CSGCell::CSGCell(pugi::xml_node cell_node)
   // Morgans law
   region_ = tokenize(region_spec);
   remove_complement_ops(region_);
-  region_.shrink_to_fit();
 
   // Convert user IDs to surface indices.
   for (auto& r : region_) {
@@ -602,16 +617,18 @@ CSGCell::CSGCell(pugi::xml_node cell_node)
       break;
     }
   }
+  region_.shrink_to_fit();
 
+  region_infix_ = region_;
   // If this cell is simple, remove all the superfluous operator tokens.
   if (simple_) {
-    for (auto it = region_.begin(); it != region_.end(); it++) {
+    for (auto it = region_infix_.begin(); it != region_infix_.end(); it++) {
       if (*it == OP_INTERSECTION || *it > OP_COMPLEMENT) {
-        region_.erase(it);
+        region_infix_.erase(it);
       }
     }
+    region_infix_.shrink_to_fit();
   }
-  region_.shrink_to_fit();
 
   // Read the translation vector.
   if (check_for_node(cell_node, "translation")) {
@@ -655,7 +672,7 @@ std::pair<double, int32_t> CSGCell::distance(
   double min_dist {INFTY};
   int32_t i_surf {std::numeric_limits<int32_t>::max()};
 
-  for (int32_t token : region_) {
+  for (int32_t token : region_infix_) {
     // Ignore this token if it corresponds to an operator rather than a region.
     if (token >= OP_UNION)
       continue;
@@ -710,7 +727,7 @@ void CSGCell::to_hdf5_inner(hid_t group_id) const
 BoundingBox CSGCell::bounding_box_simple() const
 {
   BoundingBox bbox;
-  for (int32_t token : region_) {
+  for (int32_t token : region_infix_) {
     bbox &= model::surfaces[abs(token) - 1]->bounding_box(token > 0);
   }
   return bbox;
@@ -820,14 +837,14 @@ BoundingBox CSGCell::bounding_box_complex(vector<int32_t> rpn)
 
 BoundingBox CSGCell::bounding_box() const
 {
-  return simple_ ? bounding_box_simple() : bounding_box_complex(region_);
+  return simple_ ? bounding_box_simple() : bounding_box_complex(region_infix_);
 }
 
 //==============================================================================
 
 bool CSGCell::contains_simple(Position r, Direction u, int32_t on_surface) const
 {
-  for (int32_t token : region_) {
+  for (int32_t token : region_infix_) {
     // Assume that no tokens are operators. Evaluate the sense of particle with
     // respect to the surface and see if the token matches the sense. If the
     // particle's surface attribute is set and matches the token, that
@@ -854,7 +871,7 @@ bool CSGCell::contains_complex(
   bool in_cell = true;
 
   // For each token
-  for (auto it = region_.begin(); it != region_.end(); it++) {
+  for (auto it = region_infix_.begin(); it != region_infix_.end(); it++) {
     int32_t token = *it;
 
     // If the token is a surface evaluate the sense
@@ -873,32 +890,22 @@ bool CSGCell::contains_complex(
     } else if ((token == OP_UNION && in_cell == true) ||
                (token == OP_INTERSECTION && in_cell == false)) {
       // While the iterator is within the bounds of the vector
+      int depth = 1;
       do {
         // Get next token
         it++;
         int32_t next_token = *it;
 
-        // If the next token is an operator and is not the same as the one that
-        // started the short circuiting, check if it is a left parenthesis to
-        // skip a section or break
-        if (next_token >= OP_UNION && token != next_token) {
-          if (next_token == OP_LEFT_PAREN) {
-            int depth = 1;
-            do {
-              it++;
-              if (*it > OP_COMPLEMENT) {
-                if (*it == OP_RIGHT_PAREN) {
-                  depth--;
-                } else {
-                  depth++;
-                }
-              }
-            } while (depth > 0);
+        // If the token is an a parenthesis
+        if (next_token > OP_COMPLEMENT) {
+          // Adjust depth accordingly
+          if (next_token == OP_RIGHT_PAREN) {
+            depth--;
           } else {
-            break;
+            depth++;
           }
         }
-      } while (it < region_.end() - 1);
+      } while (depth > 0 && it < region_infix_.end() - 1);
     }
   }
   return in_cell;
diff --git a/src/geometry_aux.cpp b/src/geometry_aux.cpp
index c3458d469..7648d270a 100644
--- a/src/geometry_aux.cpp
+++ b/src/geometry_aux.cpp
@@ -154,7 +154,7 @@ void partition_universes()
       // Collect the set of surfaces in this universe.
       std::unordered_set<int32_t> surf_inds;
       for (auto i_cell : univ->cells_) {
-        for (auto token : model::cells[i_cell]->region_) {
+        for (auto token : model::cells[i_cell]->region_infix_) {
           if (token < OP_UNION)
             surf_inds.insert(std::abs(token) - 1);
         }
diff --git a/src/universe.cpp b/src/universe.cpp
index 873d03bb7..723400ec0 100644
--- a/src/universe.cpp
+++ b/src/universe.cpp
@@ -98,7 +98,7 @@ UniversePartitioner::UniversePartitioner(const Universe& univ)
   // Find all of the z-planes in this universe.  A set is used here for the
   // O(log(n)) insertions that will ensure entries are not repeated.
   for (auto i_cell : univ.cells_) {
-    for (auto token : model::cells[i_cell]->region_) {
+    for (auto token : model::cells[i_cell]->region_infix_) {
       if (token < OP_UNION) {
         auto i_surf = std::abs(token) - 1;
         const auto* surf = model::surfaces[i_surf].get();
@@ -125,7 +125,7 @@ UniversePartitioner::UniversePartitioner(const Universe& univ)
     // Find the tokens for bounding z-planes.
     int32_t lower_token = 0, upper_token = 0;
     double min_z, max_z;
-    for (auto token : model::cells[i_cell]->region_) {
+    for (auto token : model::cells[i_cell]->region_infix_) {
       if (token < OP_UNION) {
         const auto* surf = model::surfaces[std::abs(token) - 1].get();
         if (const auto* zplane = dynamic_cast<const SurfaceZPlane*>(surf)) {

From 15a863e6457766ae792ca44e4b706060318e85f4 Mon Sep 17 00:00:00 2001
From: lewisgross1296 <ligross@wisc.edu>
Date: Mon, 15 Aug 2022 14:49:36 -0500
Subject: [PATCH 0848/2654] suggestion by Paul Romano. removed need for
 _get_tally_index_ funciton by using python's fancy self[key] and
 self[key]._index capabilities

---
 openmc/lib/tally.py | 14 ++------------
 1 file changed, 2 insertions(+), 12 deletions(-)

diff --git a/openmc/lib/tally.py b/openmc/lib/tally.py
index 79f1193e6..90983d171 100644
--- a/openmc/lib/tally.py
+++ b/openmc/lib/tally.py
@@ -390,7 +390,7 @@ class Tally(_FortranObjectWithID):
 
 class _TallyMapping(Mapping):
     def __getitem__(self, key):
-        return Tally(index=self._get_tally_index(key))
+        return Tally(index=self[key])
 
     def __iter__(self):
         for i in range(len(self)):
@@ -404,16 +404,6 @@ class _TallyMapping(Mapping):
 
     def __delitem__(self, key):
         """Delete a tally from tally vector and remove the ID,index pair from tally"""
-        _dll.openmc_remove_tally(self._get_tally_index(key))
-
-    def _get_tally_index(self, key):
-        """Given the ID, return the index"""
-        index = c_int32()
-        try:
-            _dll.openmc_get_tally_index(key, index)
-        except (AllocationError, InvalidIDError) as e:
-            # __contains__ expects a KeyError to work correctly
-            raise KeyError(str(e))
-        return index.value
+        _dll.openmc_remove_tally(self[key]._index)
 
 tallies = _TallyMapping()

From ab6b8f9acfecfb9f33e40b974635a378f58eef6d Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Mon, 15 Aug 2022 15:05:36 -0500
Subject: [PATCH 0849/2654] CMake cmd fixes for libmesh and dagmc

---
 docs/source/usersguide/install.rst | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/docs/source/usersguide/install.rst b/docs/source/usersguide/install.rst
index d05c00bb3..3d48828fb 100644
--- a/docs/source/usersguide/install.rst
+++ b/docs/source/usersguide/install.rst
@@ -269,7 +269,7 @@ Prerequisites
       In addition to turning this option on, the path to the DAGMC installation
       should be specified as part of the ``CMAKE_PREFIX_PATH`` variable::
 
-          cmake -DOPENMC_USE_DAGMC=on -DCMAKE_PREFIX_PATH=/path/to/dagmc/installation
+          cmake -DOPENMC_USE_DAGMC=on -DCMAKE_PREFIX_PATH=/path/to/dagmc/installation ..
 
     * libMesh_ mesh library framework for numerical simulations of partial differential equations
 
@@ -280,7 +280,7 @@ Prerequisites
       installation should be specified as part of the ``CMAKE_PREFIX_PATH``
       variable.::
 
-          cmake -DOPENMC_USE_LIBMESH=on -DOPENMC_USE_MPI=on -DCMAKE_PREFIX_PATH=/path/to/libmesh/installation
+          cmake -DOPENMC_USE_LIBMESH=on -DOPENMC_USE_MPI=on -DCMAKE_PREFIX_PATH=/path/to/libmesh/installation ..
 
       Note that libMesh is most commonly compiled with MPI support. If that
       is the case, then OpenMC should be compiled with MPI support as well.

From 762993fb8b5c47599d512a6bb1bf5ba2047abe3e Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Tue, 16 Aug 2022 16:47:08 +0100
Subject: [PATCH 0850/2654] added "ecco-2000" with 1968 bins

---
 openmc/mgxs/__init__.py | 329 ++++++++++++++++++++++++++++++++++++++++
 1 file changed, 329 insertions(+)

diff --git a/openmc/mgxs/__init__.py b/openmc/mgxs/__init__.py
index 938dd8c7a..a3603f23d 100644
--- a/openmc/mgxs/__init__.py
+++ b/openmc/mgxs/__init__.py
@@ -14,6 +14,9 @@ GROUP_STRUCTURES = {}
 - "SHEM-361_" designed for LWR analysis to eliminate self-shielding calculations
   of thermal resonances ([HFA2005]_, [SAN2007]_, [HEB2008]_)
 - "SCALE-44" designed for criticality analysis ([ZAL1999]_)
+- "ECCO-2000" is a 1968-group neutron structure aimed at fine group reactor
+  cell calculations for fast, intermediate and thermal reactor applications.
+  ([SAR1990]_)
 - activation_ energy group structures "VITAMIN-J-42", "VITAMIN-J-175",
   "TRIPOLI-315", "CCFE-709_" and "UKAEA-1102_"
 
@@ -639,3 +642,329 @@ GROUP_STRUCTURES['UKAEA-1102'] = np.array([
     5.7544e8, 6.0256e8, 6.3096e8, 6.6069e8, 6.9183e8,
     7.2444e8, 7.5858e8, 7.9433e8, 8.3176e8, 8.7096e8,
     9.1201e8, 9.5499e8, 1.e9])
+GROUP_STRUCTURES['ECCO-2000'] = np.array([
+    1.00001e-5, 3.00000e-3, 5.00000e-3, 6.90000e-3, 1.00000e-2, 1.50000e-2,
+    2.00000e-2, 2.50000e-2, 3.00000e-2, 3.50000e-2, 4.20000e-2, 5.00000e-2,
+    5.80000e-2, 6.70000e-2, 7.70000e-2, 8.00000e-2, 9.50000e-2, 1.00000e-1,
+    1.15000e-1, 1.34000e-1, 1.40000e-1, 1.46370e-1, 1.53030e-1, 1.60000e-1,
+    1.69710e-1, 1.80000e-1, 1.89000e-1, 1.98810e-1, 2.09140e-1, 2.20000e-1,
+    2.33580e-1, 2.48000e-1, 2.63510e-1, 2.80000e-1, 3.00000e-1, 3.14500e-1,
+    3.20000e-1, 3.34660e-1, 3.50000e-1, 3.69930e-1, 3.91000e-1, 4.00000e-1,
+    4.13990e-1, 4.33000e-1, 4.49680e-1, 4.67010e-1, 4.85000e-1, 5.00000e-1,
+    5.19620e-1, 5.31580e-1, 5.40000e-1, 5.66960e-1, 5.95280e-1, 6.25000e-1,
+    6.53150e-1, 6.82560e-1, 7.05000e-1, 7.41550e-1, 7.80000e-1, 7.90000e-1,
+    8.19450e-1, 8.50000e-1, 8.60000e-1, 8.76425e-1, 9.10000e-1, 9.30000e-1,
+    9.50000e-1, 9.72000e-1, 9.86000e-1, 9.96000e-1,
+    1.020000, 1.035000, 1.045000, 1.071000, 1.080000, 1.097000, 1.110000,
+    1.123000, 1.150000, 1.170000, 1.202060, 1.235000, 1.267080, 1.300000,
+    1.337500, 1.370000, 1.404560, 1.440000, 1.475000, 1.500000, 1.544340,
+    1.590000, 1.629510, 1.670000, 1.711970, 1.755000, 1.797000, 1.840000,
+    1.855390, 1.884460, 1.930000, 1.974490, 2.020000, 2.059610, 2.100000,
+    2.130000, 2.185310, 2.242050, 2.300270, 2.360000, 2.382370, 2.421710,
+    2.485030, 2.550000, 2.600000, 2.659320, 2.720000, 2.767920, 2.837990,
+    2.909830, 2.983490, 3.059020, 3.137330, 3.217630, 3.300000, 3.380750,
+    3.466330, 3.554080, 3.644050, 3.736300, 3.830880, 3.927860, 4.000000,
+    4.129250, 4.233782, 4.340961, 4.450853, 4.563526, 4.679053, 4.797503,
+    4.918953, 5.043477, 5.085681, 5.128239, 5.171153, 5.214426, 5.258061,
+    5.302061, 5.346430, 5.391169, 5.436284, 5.481775, 5.527647, 5.573904,
+    5.620547, 5.667581, 5.715008, 5.762832, 5.811056, 5.859684, 5.908719,
+    5.958164, 6.008022, 6.058298, 6.108995, 6.160116, 6.211665, 6.263645,
+    6.316060, 6.368914, 6.422210, 6.475952, 6.530144, 6.584789, 6.639892,
+    6.695455, 6.751484, 6.807981, 6.864952, 6.922399, 6.980326, 7.038739,
+    7.097640, 7.157034, 7.216925, 7.277317, 7.338215, 7.399622, 7.461544,
+    7.523983, 7.586945, 7.650434, 7.714454, 7.779009, 7.844105, 7.909746,
+    7.975936, 8.042680, 8.109982, 8.177848, 8.246281, 8.315287, 8.384871,
+    8.455037, 8.525790, 8.597135, 8.669077, 8.741621, 8.814772, 8.888536,
+    8.962916, 9.037919, 9.113550, 9.189814, 9.266715, 9.344261, 9.422455,
+    9.501303, 9.580812, 9.660985, 9.741830, 9.823351, 9.905554, 9.988446,
+    1.007203e1, 1.015631e1, 1.024130e1, 1.032701e1, 1.041342e1, 1.050056e1,
+    1.058843e1, 1.067704e1, 1.076639e1, 1.085648e1, 1.094733e1, 1.103894e1,
+    1.113132e1, 1.122446e1, 1.131839e1, 1.141311e1, 1.150861e1, 1.160492e1,
+    1.170203e1, 1.179995e1, 1.189870e1, 1.199827e1, 1.209867e1, 1.219991e1,
+    1.230201e1, 1.240495e1, 1.250876e1, 1.261343e1, 1.271898e1, 1.282542e1,
+    1.293274e1, 1.304097e1, 1.315010e1, 1.326014e1, 1.337110e1, 1.348299e1,
+    1.359582e1, 1.370959e1, 1.382431e1, 1.394000e1, 1.405665e1, 1.417428e1,
+    1.429289e1, 1.441250e1, 1.453310e1, 1.465472e1, 1.477735e1, 1.490101e1,
+    1.502570e1, 1.515144e1, 1.527823e1, 1.540608e1, 1.553500e1, 1.566500e1,
+    1.579609e1, 1.592827e1, 1.606156e1, 1.619597e1, 1.633150e1, 1.646816e1,
+    1.660597e1, 1.674493e1, 1.688506e1, 1.702635e1, 1.716883e1, 1.731250e1,
+    1.745738e1, 1.760346e1, 1.775077e1, 1.789931e1, 1.804910e1, 1.820013e1,
+    1.835244e1, 1.850601e1, 1.866087e1, 1.881703e1, 1.897449e1, 1.913328e1,
+    1.929339e1, 1.945484e1, 1.961764e1, 1.978180e1, 1.994734e1, 2.011426e1,
+    2.028258e1, 2.045231e1, 2.062345e1, 2.079603e1, 2.097006e1, 2.114554e1,
+    2.132249e1, 2.150092e1, 2.168084e1, 2.186227e1, 2.204522e1, 2.222969e1,
+    2.241572e1, 2.260329e1, 2.279244e1, 2.298317e1, 2.317550e1, 2.336944e1,
+    2.356499e1, 2.376219e1, 2.396104e1, 2.416154e1, 2.436373e1, 2.456761e1,
+    2.477320e1, 2.498050e1, 2.518954e1, 2.540033e1, 2.561289e1, 2.582722e1,
+    2.604335e1, 2.626128e1, 2.648104e1, 2.670264e1, 2.692609e1, 2.715141e1,
+    2.737862e1, 2.760773e1, 2.783875e1, 2.807171e1, 2.830662e1, 2.854349e1,
+    2.878235e1, 2.902320e1, 2.926607e1, 2.951098e1, 2.975793e1, 3.000695e1,
+    3.025805e1, 3.051126e1, 3.076658e1, 3.102404e1, 3.128365e1, 3.154544e1,
+    3.180942e1, 3.207560e1, 3.234401e1, 3.261467e1, 3.288760e1, 3.316281e1,
+    3.344032e1, 3.372015e1, 3.400233e1, 3.428686e1, 3.457378e1, 3.486310e1,
+    3.515484e1, 3.544902e1, 3.574566e1, 3.604479e1, 3.634642e1, 3.665057e1,
+    3.695727e1, 3.726653e1, 3.757838e1, 3.789285e1, 3.820994e1, 3.852969e1,
+    3.885211e1, 3.917723e1, 3.950507e1, 3.983565e1, 4.016900e1, 4.050514e1,
+    4.084410e1, 4.118589e1, 4.153054e1, 4.187807e1, 4.222851e1, 4.258189e1,
+    4.293822e1, 4.329753e1, 4.365985e1, 4.402521e1, 4.439361e1, 4.476511e1,
+    4.513971e1, 4.551744e1, 4.589834e1, 4.628243e1, 4.666972e1, 4.706026e1,
+    4.745407e1, 4.785117e1, 4.825160e1, 4.865538e1, 4.906253e1, 4.947309e1,
+    4.988709e1, 5.030456e1, 5.072551e1, 5.114999e1, 5.157802e1, 5.200963e1,
+    5.244486e1, 5.288373e1, 5.332626e1, 5.377251e1, 5.422248e1, 5.467623e1,
+    5.513376e1, 5.559513e1, 5.606036e1, 5.652948e1, 5.700253e1, 5.747954e1,
+    5.796053e1, 5.844556e1, 5.893464e1, 5.942781e1, 5.992511e1, 6.042657e1,
+    6.093223e1, 6.144212e1, 6.195628e1, 6.247474e1, 6.299754e1, 6.352471e1,
+    6.405630e1, 6.459233e1, 6.513285e1, 6.567789e1, 6.622749e1, 6.678169e1,
+    6.734053e1, 6.790405e1, 6.847228e1, 6.904527e1, 6.962305e1, 7.020566e1,
+    7.079316e1, 7.138556e1, 7.198293e1, 7.258529e1, 7.319270e1, 7.380518e1,
+    7.442280e1, 7.504558e1, 7.567357e1, 7.630682e1, 7.694537e1, 7.758926e1,
+    7.823854e1, 7.889325e1, 7.955344e1, 8.021915e1, 8.089044e1, 8.156734e1,
+    8.224991e1, 8.293819e1, 8.363223e1, 8.433208e1, 8.503778e1, 8.574939e1,
+    8.646695e1, 8.719052e1, 8.792015e1, 8.865588e1, 8.939776e1, 9.014586e1,
+    9.090021e1, 9.166088e1, 9.242791e1, 9.320136e1, 9.398128e1, 9.476773e1,
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+    3.309631e5, 3.337327e5, 3.365254e5, 3.393415e5, 3.421812e5, 3.450446e5,
+    3.479320e5, 3.508435e5, 3.537795e5, 3.567399e5, 3.597252e5, 3.627354e5,
+    3.657708e5, 3.688317e5, 3.719181e5, 3.750304e5, 3.781687e5, 3.813333e5,
+    3.845243e5, 3.877421e5, 3.909868e5, 3.942586e5, 3.975578e5, 4.008846e5,
+    4.042393e5, 4.076220e5, 4.110331e5, 4.144727e5, 4.179410e5, 4.214384e5,
+    4.249651e5, 4.285213e5, 4.321072e5, 4.357231e5, 4.393693e5, 4.430460e5,
+    4.467535e5, 4.504920e5, 4.542618e5, 4.580631e5, 4.618963e5, 4.657615e5,
+    4.696591e5, 4.735892e5, 4.775523e5, 4.815485e5, 4.855782e5, 4.896416e5,
+    4.937390e5, 4.978707e5, 5.020369e5, 5.062381e5, 5.104743e5, 5.147461e5,
+    5.190535e5, 5.233971e5, 5.277769e5, 5.321934e5, 5.366469e5, 5.411377e5,
+    5.456660e5, 5.502322e5, 5.548366e5, 5.594796e5, 5.641614e5, 5.688824e5,
+    5.736429e5, 5.784432e5, 5.832837e5, 5.881647e5, 5.930866e5, 5.980496e5,
+    6.030542e5, 6.081006e5, 6.131893e5, 6.183206e5, 6.234948e5, 6.287123e5,
+    6.339734e5, 6.392786e5, 6.446282e5, 6.500225e5, 6.554620e5, 6.609470e5,
+    6.664779e5, 6.720551e5, 6.776790e5, 6.833499e5, 6.890683e5, 6.948345e5,
+    7.006490e5, 7.065121e5, 7.124243e5, 7.183860e5, 7.243976e5, 7.304594e5,
+    7.365720e5, 7.427358e5, 7.489511e5, 7.552184e5, 7.615382e5, 7.679109e5,
+    7.743369e5, 7.808167e5, 7.873507e5, 7.939393e5, 8.005831e5, 8.072825e5,
+    8.140380e5, 8.208500e5, 8.277190e5, 8.346455e5, 8.416299e5, 8.486728e5,
+    8.557746e5, 8.629359e5, 8.701570e5, 8.774387e5, 8.847812e5, 8.921852e5,
+    8.996511e5, 9.071795e5, 9.147709e5, 9.224259e5, 9.301449e5, 9.379285e5,
+    9.457772e5, 9.536916e5, 9.616723e5, 9.697197e5, 9.778344e5, 9.860171e5,
+    9.942682e5, 1.002588e6, 1.010978e6, 1.019438e6, 1.027969e6, 1.036571e6,
+    1.045245e6, 1.053992e6, 1.062812e6, 1.071706e6, 1.080674e6, 1.089717e6,
+    1.098836e6, 1.108032e6, 1.117304e6, 1.126654e6, 1.136082e6, 1.145588e6,
+    1.155175e6, 1.164842e6, 1.174589e6, 1.184418e6, 1.194330e6, 1.204324e6,
+    1.214402e6, 1.224564e6, 1.234812e6, 1.245145e6, 1.255564e6, 1.266071e6,
+    1.276666e6, 1.287349e6, 1.298122e6, 1.308985e6, 1.319938e6, 1.330984e6,
+    1.342122e6, 1.353353e6, 1.364678e6, 1.376098e6, 1.387613e6, 1.399225e6,
+    1.410934e6, 1.422741e6, 1.434646e6, 1.446652e6, 1.458758e6, 1.470965e6,
+    1.483274e6, 1.495686e6, 1.508202e6, 1.520823e6, 1.533550e6, 1.546383e6,
+    1.559323e6, 1.572372e6, 1.585530e6, 1.598797e6, 1.612176e6, 1.625667e6,
+    1.639271e6, 1.652989e6, 1.666821e6, 1.680770e6, 1.694834e6, 1.709017e6,
+    1.723318e6, 1.737739e6, 1.752281e6, 1.766944e6, 1.781731e6, 1.796640e6,
+    1.811675e6, 1.826835e6, 1.842122e6, 1.857538e6, 1.873082e6, 1.888756e6,
+    1.904561e6, 1.920499e6, 1.936570e6, 1.952776e6, 1.969117e6, 1.985595e6,
+    2.002210e6, 2.018965e6, 2.035860e6, 2.052897e6, 2.070076e6, 2.087398e6,
+    2.104866e6, 2.122480e6, 2.140241e6, 2.158151e6, 2.176211e6, 2.194421e6,
+    2.212785e6, 2.231302e6, 2.249973e6, 2.268802e6, 2.287787e6, 2.306932e6,
+    2.326237e6, 2.345703e6, 2.365332e6, 2.385126e6, 2.405085e6, 2.425211e6,
+    2.445505e6, 2.465970e6, 2.486605e6, 2.507414e6, 2.528396e6, 2.549554e6,
+    2.570889e6, 2.592403e6, 2.614096e6, 2.635971e6, 2.658030e6, 2.680272e6,
+    2.702701e6, 2.725318e6, 2.748124e6, 2.771121e6, 2.794310e6, 2.817693e6,
+    2.841272e6, 2.865048e6, 2.889023e6, 2.913199e6, 2.937577e6, 2.962159e6,
+    2.986947e6, 3.011942e6, 3.037147e6, 3.062562e6, 3.088190e6, 3.114032e6,
+    3.140091e6, 3.166368e6, 3.192864e6, 3.219583e6, 3.246525e6, 3.273692e6,
+    3.301087e6, 3.328711e6, 3.356566e6, 3.384654e6, 3.412978e6, 3.441538e6,
+    3.470337e6, 3.499377e6, 3.528661e6, 3.558189e6, 3.587965e6, 3.617989e6,
+    3.648265e6, 3.678794e6, 3.709579e6, 3.740621e6, 3.771924e6, 3.803488e6,
+    3.835316e6, 3.867410e6, 3.899773e6, 3.932407e6, 3.965314e6, 3.998497e6,
+    4.031957e6, 4.065697e6, 4.099719e6, 4.134026e6, 4.168620e6, 4.203504e6,
+    4.238679e6, 4.274149e6, 4.309916e6, 4.345982e6, 4.382350e6, 4.419022e6,
+    4.456001e6, 4.493290e6, 4.530890e6, 4.568805e6, 4.607038e6, 4.645590e6,
+    4.684465e6, 4.723666e6, 4.763194e6, 4.803053e6, 4.843246e6, 4.883775e6,
+    4.924643e6, 4.965853e6, 5.007408e6, 5.049311e6, 5.091564e6, 5.134171e6,
+    5.177135e6, 5.220458e6, 5.264143e6, 5.308195e6, 5.352614e6, 5.397406e6,
+    5.442572e6, 5.488116e6, 5.534042e6, 5.580351e6, 5.627049e6, 5.674137e6,
+    5.721619e6, 5.769498e6, 5.817778e6, 5.866462e6, 5.915554e6, 5.965056e6,
+    6.014972e6, 6.065307e6, 6.116062e6, 6.167242e6, 6.218851e6, 6.270891e6,
+    6.323367e6, 6.376282e6, 6.429639e6, 6.483443e6, 6.537698e6, 6.592406e6,
+    6.647573e6, 6.703200e6, 6.759294e6, 6.815857e6, 6.872893e6, 6.930406e6,
+    6.988401e6, 7.046881e6, 7.105850e6, 7.165313e6, 7.225274e6, 7.285736e6,
+    7.346704e6, 7.408182e6, 7.470175e6, 7.532687e6, 7.595721e6, 7.659283e6,
+    7.723377e6, 7.788008e6, 7.853179e6, 7.918896e6, 7.985162e6, 8.051983e6,
+    8.119363e6, 8.187308e6, 8.255820e6, 8.324906e6, 8.394570e6, 8.464817e6,
+    8.535652e6, 8.607080e6, 8.679105e6, 8.751733e6, 8.824969e6, 8.898818e6,
+    8.973284e6, 9.048374e6, 9.124092e6, 9.200444e6, 9.277435e6, 9.355070e6,
+    9.433354e6, 9.512294e6, 9.591895e6, 9.672161e6, 9.753099e6, 9.834715e6,
+    9.917013e6, 1.000000e7, 1.008368e7, 1.016806e7, 1.025315e7, 1.033895e7,
+    1.042547e7, 1.051271e7, 1.060068e7, 1.068939e7, 1.077884e7, 1.086904e7,
+    1.095999e7, 1.105171e7, 1.114419e7, 1.123745e7, 1.133148e7, 1.142631e7,
+    1.152193e7, 1.161834e7, 1.171557e7, 1.181360e7, 1.191246e7, 1.201215e7,
+    1.211267e7, 1.221403e7, 1.231624e7, 1.241930e7, 1.252323e7, 1.262802e7,
+    1.273370e7, 1.284025e7, 1.294770e7, 1.305605e7, 1.316531e7, 1.327548e7,
+    1.338657e7, 1.349859e7, 1.361155e7, 1.372545e7, 1.384031e7, 1.395612e7,
+    1.407291e7, 1.419068e7, 1.430943e7, 1.442917e7, 1.454991e7, 1.467167e7,
+    1.479444e7, 1.491825e7, 1.504309e7, 1.516897e7, 1.529590e7, 1.542390e7,
+    1.555297e7, 1.568312e7, 1.581436e7, 1.594670e7, 1.608014e7, 1.621470e7,
+    1.635039e7, 1.648721e7, 1.662518e7, 1.676430e7, 1.690459e7, 1.704605e7,
+    1.718869e7, 1.733253e7, 1.747757e7, 1.762383e7, 1.777131e7, 1.792002e7,
+    1.806998e7, 1.822119e7, 1.837367e7, 1.852742e7, 1.868246e7, 1.883880e7,
+    1.899644e7, 1.915541e7, 1.931570e7, 1.947734e7, 1.964033e7])

From d0963a0a8a6707cb87863be675470071d88cb78e Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Tue, 16 Aug 2022 16:52:23 +0100
Subject: [PATCH 0851/2654] renamed group name to match serpent reference

---
 openmc/mgxs/__init__.py | 6 +++---
 1 file changed, 3 insertions(+), 3 deletions(-)

diff --git a/openmc/mgxs/__init__.py b/openmc/mgxs/__init__.py
index a3603f23d..14a0588a8 100644
--- a/openmc/mgxs/__init__.py
+++ b/openmc/mgxs/__init__.py
@@ -14,9 +14,8 @@ GROUP_STRUCTURES = {}
 - "SHEM-361_" designed for LWR analysis to eliminate self-shielding calculations
   of thermal resonances ([HFA2005]_, [SAN2007]_, [HEB2008]_)
 - "SCALE-44" designed for criticality analysis ([ZAL1999]_)
-- "ECCO-2000" is a 1968-group neutron structure aimed at fine group reactor
-  cell calculations for fast, intermediate and thermal reactor applications.
-  ([SAR1990]_)
+- "ECCO-1968" designed for fine group reactor cell calculations for fast,
+  intermediate and thermal reactor applications ([SAR1990]_)
 - activation_ energy group structures "VITAMIN-J-42", "VITAMIN-J-175",
   "TRIPOLI-315", "CCFE-709_" and "UKAEA-1102_"
 
@@ -28,6 +27,7 @@ GROUP_STRUCTURES = {}
 .. _VITAMIN-J-42: https://www.oecd-nea.org/dbdata/nds_jefreports/jefreport-10.pdf
 .. _CCFE-709: https://fispact.ukaea.uk/wiki/CCFE-709_group_structure
 .. _UKAEA-1102: https://fispact.ukaea.uk/wiki/UKAEA-1102_group_structure
+.. _ECCO-1968: http://serpent.vtt.fi/mediawiki/index.php/ECCO_1968-group_structure
 .. [SAR1990] Sartori, E., OECD/NEA Data Bank: Standard Energy Group Structures
    of Cross Section Libraries for Reactor Shielding, Reactor Cell and Fusion
    Neutronics Applications: VITAMIN-J, ECCO-33, ECCO-2000 and XMAS JEF/DOC-315

From 6c592fa1a054463d7a83e01adb2142076c504c95 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Tue, 16 Aug 2022 16:59:12 +0100
Subject: [PATCH 0852/2654] renamed 2000 to 1968

---
 openmc/mgxs/__init__.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/mgxs/__init__.py b/openmc/mgxs/__init__.py
index 14a0588a8..47a6af89b 100644
--- a/openmc/mgxs/__init__.py
+++ b/openmc/mgxs/__init__.py
@@ -642,7 +642,7 @@ GROUP_STRUCTURES['UKAEA-1102'] = np.array([
     5.7544e8, 6.0256e8, 6.3096e8, 6.6069e8, 6.9183e8,
     7.2444e8, 7.5858e8, 7.9433e8, 8.3176e8, 8.7096e8,
     9.1201e8, 9.5499e8, 1.e9])
-GROUP_STRUCTURES['ECCO-2000'] = np.array([
+GROUP_STRUCTURES['ECCO-1968'] = np.array([
     1.00001e-5, 3.00000e-3, 5.00000e-3, 6.90000e-3, 1.00000e-2, 1.50000e-2,
     2.00000e-2, 2.50000e-2, 3.00000e-2, 3.50000e-2, 4.20000e-2, 5.00000e-2,
     5.80000e-2, 6.70000e-2, 7.70000e-2, 8.00000e-2, 9.50000e-2, 1.00000e-1,

From 209954ee2fb652db70b84596b5accd35afbb87bb Mon Sep 17 00:00:00 2001
From: Lewis Gross <43077972+lewisgross1296@users.noreply.github.com>
Date: Tue, 16 Aug 2022 13:08:35 -0500
Subject: [PATCH 0853/2654] change back to prevent accidental infinite
 recursion

Co-authored-by: Patrick Shriwise <pshriwise@gmail.com>
---
 openmc/lib/tally.py | 7 ++++++-
 1 file changed, 6 insertions(+), 1 deletion(-)

diff --git a/openmc/lib/tally.py b/openmc/lib/tally.py
index 90983d171..dc782539b 100644
--- a/openmc/lib/tally.py
+++ b/openmc/lib/tally.py
@@ -390,7 +390,12 @@ class Tally(_FortranObjectWithID):
 
 class _TallyMapping(Mapping):
     def __getitem__(self, key):
-        return Tally(index=self[key])
+        index = c_int32()
+        try:
+            _dll.openmc_get_tally_index(key, index)
+        except (AllocationError, InvalidIDError) as e:
+            # __contains__ expects a KeyError to work correctly
+            raise KeyError(str(e))
 
     def __iter__(self):
         for i in range(len(self)):

From 5b6c6667cbc082d438ea38708fd4da34b89b1a18 Mon Sep 17 00:00:00 2001
From: lewisgross1296 <ligross@wisc.edu>
Date: Tue, 16 Aug 2022 13:43:15 -0500
Subject: [PATCH 0854/2654] put _get_tally_index(self,key) back and forgot
 return in __getitem__

---
 openmc/lib/tally.py | 11 +++++++++++
 1 file changed, 11 insertions(+)

diff --git a/openmc/lib/tally.py b/openmc/lib/tally.py
index dc782539b..5ddee90e4 100644
--- a/openmc/lib/tally.py
+++ b/openmc/lib/tally.py
@@ -396,6 +396,7 @@ class _TallyMapping(Mapping):
         except (AllocationError, InvalidIDError) as e:
             # __contains__ expects a KeyError to work correctly
             raise KeyError(str(e))
+        return Tally(index=index.value)
 
     def __iter__(self):
         for i in range(len(self)):
@@ -411,4 +412,14 @@ class _TallyMapping(Mapping):
         """Delete a tally from tally vector and remove the ID,index pair from tally"""
         _dll.openmc_remove_tally(self[key]._index)
 
+    def _get_tally_index(self,key):
+        """Given the ID, return the index"""
+        index = c_int32()
+        try:
+            _dll.openmc_get_tally_index(key, index)
+        except (AllocationError, InvalidIDError) as e:
+            # __contains__ expects a KeyError to work correctly
+            raise KeyError(str(e))
+        return index.value
+
 tallies = _TallyMapping()

From a8b0f1714af39b2803055c6dc8288f22739bd8f2 Mon Sep 17 00:00:00 2001
From: lewisgross1296 <ligross@wisc.edu>
Date: Tue, 16 Aug 2022 14:09:05 -0500
Subject: [PATCH 0855/2654] mistaken, dont need _get_tally_index, we call the
 openmc C++ api one instead

---
 openmc/lib/tally.py | 10 ----------
 1 file changed, 10 deletions(-)

diff --git a/openmc/lib/tally.py b/openmc/lib/tally.py
index 5ddee90e4..85af8ffff 100644
--- a/openmc/lib/tally.py
+++ b/openmc/lib/tally.py
@@ -412,14 +412,4 @@ class _TallyMapping(Mapping):
         """Delete a tally from tally vector and remove the ID,index pair from tally"""
         _dll.openmc_remove_tally(self[key]._index)
 
-    def _get_tally_index(self,key):
-        """Given the ID, return the index"""
-        index = c_int32()
-        try:
-            _dll.openmc_get_tally_index(key, index)
-        except (AllocationError, InvalidIDError) as e:
-            # __contains__ expects a KeyError to work correctly
-            raise KeyError(str(e))
-        return index.value
-
 tallies = _TallyMapping()

From 37b17b61cf55cba9158528d968ab1332ec602548 Mon Sep 17 00:00:00 2001
From: lewisgross1296 <ligross@wisc.edu>
Date: Tue, 16 Aug 2022 14:26:48 -0500
Subject: [PATCH 0856/2654] added openmc_remove_tally to documentation

---
 docs/source/capi/index.rst | 8 ++++++++
 1 file changed, 8 insertions(+)

diff --git a/docs/source/capi/index.rst b/docs/source/capi/index.rst
index 222f81c4b..623c9fa5c 100644
--- a/docs/source/capi/index.rst
+++ b/docs/source/capi/index.rst
@@ -460,6 +460,14 @@ Functions
    :return: Return status (negative if an error occurs)
    :rtype: int
 
+.. c:function:: int openmc_remove_tally(int32_t index);
+
+   Given an index of a tally, remove it from the tallies vector
+   :param int index: Index in tallies vector
+   :return: Return status (negative if an error occurs)
+   :rtype: int
+
+
 .. c:function:: int openmc_run()
 
    Run a simulation

From 5003cf482361061d35b0195166f6c87580571eba Mon Sep 17 00:00:00 2001
From: lewisgross1296 <ligross@wisc.edu>
Date: Tue, 16 Aug 2022 15:42:45 -0500
Subject: [PATCH 0857/2654] changed vector to array to match other entries,
 removed extra trailing space

---
 docs/source/capi/index.rst | 5 ++---
 1 file changed, 2 insertions(+), 3 deletions(-)

diff --git a/docs/source/capi/index.rst b/docs/source/capi/index.rst
index 623c9fa5c..52c0b2406 100644
--- a/docs/source/capi/index.rst
+++ b/docs/source/capi/index.rst
@@ -462,12 +462,11 @@ Functions
 
 .. c:function:: int openmc_remove_tally(int32_t index);
 
-   Given an index of a tally, remove it from the tallies vector
-   :param int index: Index in tallies vector
+   Given an index of a tally, remove it from the tallies array
+   :param int index: Index in tallies array
    :return: Return status (negative if an error occurs)
    :rtype: int
 
-
 .. c:function:: int openmc_run()
 
    Run a simulation

From d31b083685f7109348a817a12d9bb7e0ff079cba Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 16 Aug 2022 16:19:55 -0500
Subject: [PATCH 0858/2654] Address @yardasol review comments

---
 docs/source/releasenotes/0.13.1.rst | 16 +++++++++-------
 openmc/deplete/results.py           |  3 +++
 openmc/deplete/stepresult.py        |  3 +++
 openmc/mgxs/mgxs.py                 |  2 ++
 openmc/model/surface_composite.py   |  4 ++++
 openmc/stats/multivariate.py        |  7 +++++--
 openmc/stats/univariate.py          |  2 +-
 openmc/tracks.py                    |  6 +++++-
 8 files changed, 32 insertions(+), 11 deletions(-)

diff --git a/docs/source/releasenotes/0.13.1.rst b/docs/source/releasenotes/0.13.1.rst
index 501d54090..4df31e456 100644
--- a/docs/source/releasenotes/0.13.1.rst
+++ b/docs/source/releasenotes/0.13.1.rst
@@ -13,11 +13,12 @@ geometry modeling, mesh functionality, source specification, depletion
 capabilities, and other general enhancements. The depletion module features a
 new transport operator, :class:`openmc.deplete.IndependentOperator`, that allows
 a depletion calculation to be performed using arbitrary one-group cross sections
-(e.g., generated by an external solver). The track file generation capability
-has been significantly overhauled and a new :class:`openmc.Tracks` class was
-introduced to allow access to information in track files from the Python API.
-Support has been added for new ENDF thermal scattering evaluations that use
-mixed coherent/incoherent elastic scattering.
+(e.g., generated by an external solver) along with a
+:class:`openmc.deplete.MicroXS` class for managing one-group cross sections. The
+track file generation capability has been significantly overhauled and a new
+:class:`openmc.Tracks` class was introduced to allow access to information in
+track files from the Python API. Support has been added for new ENDF thermal
+scattering evaluations that use mixed coherent/incoherent elastic scattering.
 
 ------------------------------------
 Compatibility Notes and Deprecations
@@ -67,7 +68,8 @@ Compatibility Notes and Deprecations
 New Features
 ------------
 
-- An :class:`openmc.model.IsogonalOctagon` composite surface.
+- Two new composite surfaces: :class:`openmc.model.IsogonalOctagon` and
+  :class:`openmc.model.CylinderSector`.
 - The :class:`~openmc.DAGMCUniverse` class now has a
   :attr:`~openmc.DAGMCUniverse.bounding_box` attribute and a
   :meth:`~openmc.DAGMCUniverse.bounding_region` method.
@@ -98,7 +100,7 @@ New Features
 - An ``openmc_sample_external_source`` function has been added to the C API with
   a corresponding Python binding :func:`openmc.lib.sample_external_source`.
 - The track file generation capability has been completely overhauled. Track
-  files now include much more information, and a new :class:`~openmc.TrackFile`
+  files now include much more information, and a new :class:`~openmc.Tracks`
   class allows access to track file information from the Python API. Multiple
   tracks are now written to a single file (one per MPI rank).
 - A new :func:`openmc.wwinp_to_wws` function that converts weight windows from a
diff --git a/openmc/deplete/results.py b/openmc/deplete/results.py
index c2138b55c..b38dcf058 100644
--- a/openmc/deplete/results.py
+++ b/openmc/deplete/results.py
@@ -46,6 +46,9 @@ class Results(list):
     each depletion step and provides extra methods for interrogating these
     results.
 
+    .. versionchanged:: 0.13.1
+        Name changed from ``ResultsList`` to ``Results``
+
     Parameters
     ----------
     filename : str
diff --git a/openmc/deplete/stepresult.py b/openmc/deplete/stepresult.py
index c54f9edcf..db5260c80 100644
--- a/openmc/deplete/stepresult.py
+++ b/openmc/deplete/stepresult.py
@@ -23,6 +23,9 @@ __all__ = ["StepResult"]
 class StepResult:
     """Result of a single depletion timestep
 
+    .. versionchanged:: 0.13.1
+        Name changed from ``Results`` to ``StepResult``
+
     Attributes
     ----------
     k : list of (float, float)
diff --git a/openmc/mgxs/mgxs.py b/openmc/mgxs/mgxs.py
index f9798c24a..46a6ed35c 100644
--- a/openmc/mgxs/mgxs.py
+++ b/openmc/mgxs/mgxs.py
@@ -3107,6 +3107,8 @@ class ReducedAbsorptionXS(MGXS):
        3\sigma_{n,4n}(r,E) \right) \psi (r, E, \Omega)}{\int_{r \in V} dr
        \int_{4\pi} d\Omega \int_{E_g}^{E_{g-1}} dE \; \psi (r, E, \Omega)}.
 
+    .. versionadded:: 0.13.1
+
     """
 
     def __init__(self, domain=None, domain_type=None, energy_groups=None,
diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index 51019b0d8..4c76c7786 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -64,6 +64,8 @@ class CylinderSector(CompositeSurface):
     operators applied to it will produce a half-space. The negative
     side is defined to be the region inside of the cylinder sector.
 
+    .. versionadded:: 0.13.1
+
     Parameters
     ----------
     r1 : float
@@ -225,6 +227,8 @@ class IsogonalOctagon(CompositeSurface):
     operators applied to it will produce a half-space. The negative side is
     defined to be the region inside of the octogonal prism.
 
+    .. versionadded:: 0.13.1
+
     Parameters
     ----------
     center : iterable of float
diff --git a/openmc/stats/multivariate.py b/openmc/stats/multivariate.py
index 98c76ea67..f34bf0d1f 100644
--- a/openmc/stats/multivariate.py
+++ b/openmc/stats/multivariate.py
@@ -377,7 +377,10 @@ class SphericalIndependent(Spatial):
     :math:`\theta`, and :math:`\phi` components are sampled independently
     from one another and centered on the coordinates (x0, y0, z0).
 
-    .. versionadded: 0.12
+    .. versionadded:: 0.12
+
+    .. versionchanged:: 0.13.1
+        Accepts ``cos_theta`` instead of ``theta``
 
     Parameters
     ----------
@@ -787,7 +790,7 @@ def spherical_uniform(r_outer, r_inner=0.0, thetas=(0., pi), phis=(0., 2*pi),
     shell between `r_inner` and `r_outer`. Optionally, the range of angles
     can be restricted by the `thetas` and `phis` arguments.
 
-    .. versionadded: 0.13.1
+    .. versionadded:: 0.13.1
 
     Parameters
     ----------
diff --git a/openmc/stats/univariate.py b/openmc/stats/univariate.py
index d6b8a7573..5298499ce 100644
--- a/openmc/stats/univariate.py
+++ b/openmc/stats/univariate.py
@@ -1059,7 +1059,7 @@ class Tabular(Univariate):
     def integral(self):
         """Return integral of distribution
 
-        .. versionadded: 0.13.1
+        .. versionadded:: 0.13.1
 
         Returns
         -------
diff --git a/openmc/tracks.py b/openmc/tracks.py
index 671aa65cf..15bd29727 100644
--- a/openmc/tracks.py
+++ b/openmc/tracks.py
@@ -47,6 +47,8 @@ class Track(Sequence):
     primary/secondary particle is stored in the :attr:`particle_tracks`
     attribute.
 
+    .. versionadded:: 0.13.1
+
     Parameters
     ----------
     dset : h5py.Dataset
@@ -201,6 +203,8 @@ class Tracks(list):
     This class behaves like a list and can be indexed using the normal subscript
     notation. Each element in the list is a :class:`openmc.Track` object.
 
+    .. versionadded:: 0.13.1
+
     Parameters
     ----------
     filepath : str or pathlib.Path
@@ -286,7 +290,7 @@ class Tracks(list):
         # Initialize data arrays and offset.
         points = vtk.vtkPoints()
         cells = vtk.vtkCellArray()
-    
+
         point_offset = 0
         for particle in self:
             for pt in particle.particle_tracks:

From 282c8115dfd436e51e2ee5704917156d5b61ce43 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 16 Aug 2022 16:38:21 -0500
Subject: [PATCH 0859/2654] Fix error in equation in depletion user docs

---
 docs/source/usersguide/depletion.rst | 26 +++++++++++++-------------
 1 file changed, 13 insertions(+), 13 deletions(-)

diff --git a/docs/source/usersguide/depletion.rst b/docs/source/usersguide/depletion.rst
index 229e90a4c..e8dc21bca 100644
--- a/docs/source/usersguide/depletion.rst
+++ b/docs/source/usersguide/depletion.rst
@@ -14,7 +14,7 @@ are requested.
 
 The depletion module is designed such that the reaction rate solution (the
 transport "operator") is completely isolated from the solution of the
-transmutation equations and the method used for advancing time. 
+transmutation equations and the method used for advancing time.
 
 :mod:`openmc.deplete` supports multiple time-integration methods for determining
 material compositions over time. Each method appears as a different class.
@@ -40,7 +40,7 @@ time::
 Note that the coupling between the reaction rate solver and the transmutation
 solver happens in-memory rather than by reading/writing files on disk. OpenMC
 has two categories of transport operators for obtaining transmutation reaction
-rates. 
+rates.
 
 .. _coupled-depletion:
 
@@ -65,7 +65,7 @@ Any material that contains a fissionable nuclide is depleted by default, but
 this can behavior can be changed with the :attr:`Material.depletable` attribute.
 
 .. important::
-   
+
    The volume must be specified for each material that is depleted by setting
    the :attr:`Material.volume` attribute. This is necessary in order to
    calculate the proper normalization of tally results based on the source rate.
@@ -198,8 +198,8 @@ Transport-independent depletion
 ===============================
 
 .. warning::
-   
-   This feature is still under heavy development and has yet to be rigorously 
+
+   This feature is still under heavy development and has yet to be rigorously
    verified. API changes and feature additions are possible and likely in
    the near future.
 
@@ -237,7 +237,7 @@ object::
                 'U236': 4.57e18,
                 'O16': 4.64e22,
                 'O17': 1.76e19}
-    volume = 0.5 
+    volume = 0.5
     op = openmc.deplete.IndependentOperator.from_nuclides(volume,
                                                           nuclides,
                                                           micro_xs,
@@ -250,8 +250,8 @@ transport-depletion calculation and follow the same steps from there.
 .. note::
 
    Ideally, one-group cross section data should be available for every
-   reaction in the depletion chain. If a nuclide that has a reaction 
-   associated with it in the depletion chain is present in the `nuclides` 
+   reaction in the depletion chain. If a nuclide that has a reaction
+   associated with it in the depletion chain is present in the `nuclides`
    parameter but not the cross section data, that reaction will not be
    simulated.
 
@@ -289,7 +289,7 @@ or from data arrays::
 .. important::
 
    Both :meth:`~openmc.deplete.MicroXS.from_csv()` and
-   :meth:`~openmc.deplete.MicroXS.from_array()` assume the cross section values 
+   :meth:`~openmc.deplete.MicroXS.from_array()` assume the cross section values
    provided are in barns by defualt, but have no way of verifying this. Make
    sure your cross sections are in the correct units before passing to a
    :class:`~openmc.deplete.IndependentOperator` object.
@@ -315,11 +315,11 @@ normalizing reaction rates:
    the cross-sections by the ``source-rate``.
 2. ``fission-q`` normalization, which uses the ``power`` or ``power_density``
    provided by the time integrator to obtain reaction rates by computing a value
-   for the flux based on this power. The general equation for the flux is 
+   for the flux based on this power. The general equation for the flux is
 
    .. math::
 
-      \phi = \frac{P}{V \cdot \sum_i (Q_i \cdot \sigma^f_i \cdot \n_i)}
+      \phi = \frac{P}{V \cdot \sum\limits_i (Q_i \cdot \sigma^f_i \cdot n_i)}
 
    where :math:`\sum_i` is the sum over all nuclides :math:`i`. This equation
    makes the same assumptions and issues as discussed in
@@ -328,13 +328,13 @@ normalizing reaction rates:
    However, there is a method to converge to a more accurate value for flux by
    using substeps during time integration.
    `This paper <https://doi.org/10.1016/j.anucene.2016.05.031>`_ provides a
-   good discussion of this method. 
+   good discussion of this method.
 
 .. warning::
 
    The accuracy of results when using ``fission-q`` is entirely dependent on
    your depletion chain. Make sure it has sufficient data to resolve the
-   dynamics of your particular scenario. 
+   dynamics of your particular scenario.
 
 Multiple Materials
 ~~~~~~~~~~~~~~~~~~

From bee89f2c1ac10f728af0fec1e26093b0baf8c4a4 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Tue, 16 Aug 2022 18:10:05 -0500
Subject: [PATCH 0860/2654] cleanup rxn rate calculation in
 _IndependentRateHelper

---
 openmc/deplete/independent_operator.py | 15 +++++++--------
 1 file changed, 7 insertions(+), 8 deletions(-)

diff --git a/openmc/deplete/independent_operator.py b/openmc/deplete/independent_operator.py
index 20267f948..200bc195e 100644
--- a/openmc/deplete/independent_operator.py
+++ b/openmc/deplete/independent_operator.py
@@ -272,15 +272,15 @@ class IndependentOperator(OpenMCOperator):
 
         This class does not generate tallies, and instead stores cross sections
         for each nuclide and transmutation reaction relevant for a depletion
-        calculation. The reaction rate is calculated by multiplying the flux by the
-        cross sections.
+        calculation. The reaction rate is calculated by multiplying the flux by
+        the cross sections.
 
         Parameters
         ----------
         op : openmc.deplete.IndependentOperator
             Reference to the object encapsulate _IndependentRateHelper.
-            We pass this so we don't have to duplicate the :attr:`IndependentOperator.number` object.
-
+            We pass this so we don't have to duplicate the
+            :attr:`IndependentOperator.number` object.
 
         Attributes
         ----------
@@ -317,15 +317,14 @@ class IndependentOperator(OpenMCOperator):
             """
             self._results_cache.fill(0.0)
 
-            volume = self._op.number.get_mat_volume(mat_id)
             for i_nuc, i_react in product(nuc_index, react_index):
                 nuc = self.nuc_ind_map[i_nuc]
                 rxn = self.rxn_ind_map[i_react]
-                density = self._op.number.get_atom_density(mat_id, nuc)
 
-                # Sigma^j_i * V = sigma^j_i * rho * V
+                # Sigma^j_i * V = sigma^j_i * n_i * V = sigma^j_i * N_i
                 self._results_cache[i_nuc,i_react] = \
-                    self._op.cross_sections[rxn][nuc] * density * volume
+                    self._op.cross_sections[rxn][nuc] * \
+                    self._op.number[mat_id, nuc]
 
             return self._results_cache
 

From aec246be729c1e91f73b081fcbdfc0a2230c17cb Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 16 Aug 2022 22:09:58 -0500
Subject: [PATCH 0861/2654] Rename Tracks.write_tracks_to_vtk -->
 Tracks.write_to_vtk

---
 docs/source/releasenotes/0.13.1.rst | 3 ++-
 openmc/tracks.py                    | 2 +-
 scripts/openmc-track-to-vtk         | 2 +-
 tests/unit_tests/test_tracks.py     | 4 ++--
 4 files changed, 6 insertions(+), 5 deletions(-)

diff --git a/docs/source/releasenotes/0.13.1.rst b/docs/source/releasenotes/0.13.1.rst
index 4df31e456..70c8609ac 100644
--- a/docs/source/releasenotes/0.13.1.rst
+++ b/docs/source/releasenotes/0.13.1.rst
@@ -101,7 +101,8 @@ New Features
   a corresponding Python binding :func:`openmc.lib.sample_external_source`.
 - The track file generation capability has been completely overhauled. Track
   files now include much more information, and a new :class:`~openmc.Tracks`
-  class allows access to track file information from the Python API. Multiple
+  class allows access to track file information from the Python API and has a
+  :meth:`~openmc.Tracks.write_to_vtk` method for writing a VTK file. Multiple
   tracks are now written to a single file (one per MPI rank).
 - A new :func:`openmc.wwinp_to_wws` function that converts weight windows from a
   ``wwinp`` file to a list of :class:`~openmc.WeightWindows` objects.
diff --git a/openmc/tracks.py b/openmc/tracks.py
index 15bd29727..9b4b55247 100644
--- a/openmc/tracks.py
+++ b/openmc/tracks.py
@@ -271,7 +271,7 @@ class Tracks(list):
             track.plot(ax)
         return ax
 
-    def write_tracks_to_vtk(self, filename=Path('tracks.vtp')):
+    def write_to_vtk(self, filename=Path('tracks.vtp')):
         """Creates a VTP file of the tracks
 
         Parameters
diff --git a/scripts/openmc-track-to-vtk b/scripts/openmc-track-to-vtk
index 118e65827..82439bea7 100755
--- a/scripts/openmc-track-to-vtk
+++ b/scripts/openmc-track-to-vtk
@@ -35,7 +35,7 @@ def main():
 
     # Write coordinate values to points array.
     track_file = openmc.Tracks(args.input)
-    track_file.write_tracks_to_vtk(args.out)
+    track_file.write_to_vtk(args.out)
 
 if __name__ == '__main__':
     main()
diff --git a/tests/unit_tests/test_tracks.py b/tests/unit_tests/test_tracks.py
index 5f3940fad..be75c6f88 100644
--- a/tests/unit_tests/test_tracks.py
+++ b/tests/unit_tests/test_tracks.py
@@ -143,7 +143,7 @@ def test_filter(sphere_model, run_in_tmpdir):
     assert matches == []
 
 
-def test_write_tracks_to_vtk(sphere_model):
+def test_write_to_vtk(sphere_model):
     vtk = pytest.importorskip('vtk')
     # Set maximum number of tracks per process to write
     sphere_model.settings.max_tracks = 25
@@ -153,7 +153,7 @@ def test_write_tracks_to_vtk(sphere_model):
     generate_track_file(sphere_model, tracks=True)
 
     tracks = openmc.Tracks('tracks.h5')
-    polydata = tracks.write_tracks_to_vtk('tracks.vtp')
+    polydata = tracks.write_to_vtk('tracks.vtp')
 
     assert isinstance(polydata, vtk.vtkPolyData)
     assert Path('tracks.vtp').is_file()

From 6e1e18ab36fbaaec882d6f62010d3fbd98e81347 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 16 Aug 2022 22:18:55 -0500
Subject: [PATCH 0862/2654] Define terms in flux equation for depletion docs

---
 docs/source/usersguide/depletion.rst | 16 +++++++++-------
 1 file changed, 9 insertions(+), 7 deletions(-)

diff --git a/docs/source/usersguide/depletion.rst b/docs/source/usersguide/depletion.rst
index e8dc21bca..2d03e167b 100644
--- a/docs/source/usersguide/depletion.rst
+++ b/docs/source/usersguide/depletion.rst
@@ -319,16 +319,18 @@ normalizing reaction rates:
 
    .. math::
 
-      \phi = \frac{P}{V \cdot \sum\limits_i (Q_i \cdot \sigma^f_i \cdot n_i)}
+      \phi = \frac{P}{\sum\limits_i (Q_i \sigma^f_i n_i)}
 
-   where :math:`\sum_i` is the sum over all nuclides :math:`i`. This equation
-   makes the same assumptions and issues as discussed in
-   :ref:`energy-deposition`. Unfortunately, the proposed solution in that
+   where :math:`P` is the power, :math:`Q_i` is the fission Q value for nuclide
+   :math:`i`, :math:`\sigma_i^f` is the microscopic fission cross section for
+   nuclide :math:`i`, and :math:`N_i` is the number of atoms of nuclide
+   :math:`i`. This equation makes the same assumptions and issues as discussed
+   in :ref:`energy-deposition`. Unfortunately, the proposed solution in that
    section does not apply here since we are decoupled from transport code.
    However, there is a method to converge to a more accurate value for flux by
-   using substeps during time integration.
-   `This paper <https://doi.org/10.1016/j.anucene.2016.05.031>`_ provides a
-   good discussion of this method.
+   using substeps during time integration. `This paper
+   <https://doi.org/10.1016/j.anucene.2016.05.031>`_ provides a good discussion
+   of this method.
 
 .. warning::
 

From 9b458c102a22a2bbad947abafdb44de9d7f32770 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <drshimwell@gmail.com>
Date: Wed, 17 Aug 2022 07:28:50 +0100
Subject: [PATCH 0863/2654] Review suggestions from @paulromano

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/mgxs/__init__.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/mgxs/__init__.py b/openmc/mgxs/__init__.py
index 47a6af89b..459b6a874 100644
--- a/openmc/mgxs/__init__.py
+++ b/openmc/mgxs/__init__.py
@@ -14,7 +14,7 @@ GROUP_STRUCTURES = {}
 - "SHEM-361_" designed for LWR analysis to eliminate self-shielding calculations
   of thermal resonances ([HFA2005]_, [SAN2007]_, [HEB2008]_)
 - "SCALE-44" designed for criticality analysis ([ZAL1999]_)
-- "ECCO-1968" designed for fine group reactor cell calculations for fast,
+- "ECCO-1968_" designed for fine group reactor cell calculations for fast,
   intermediate and thermal reactor applications ([SAR1990]_)
 - activation_ energy group structures "VITAMIN-J-42", "VITAMIN-J-175",
   "TRIPOLI-315", "CCFE-709_" and "UKAEA-1102_"

From 630117aab50172dd6659d36084b094dcf2148945 Mon Sep 17 00:00:00 2001
From: myerspat <myerspat@umich.edu>
Date: Wed, 17 Aug 2022 08:19:22 -0400
Subject: [PATCH 0864/2654] Added return for a parenthesis depth of 0

---
 src/cell.cpp | 14 +++++++++++++-
 1 file changed, 13 insertions(+), 1 deletion(-)

diff --git a/src/cell.cpp b/src/cell.cpp
index a663d1144..6b4fcafda 100644
--- a/src/cell.cpp
+++ b/src/cell.cpp
@@ -869,6 +869,7 @@ bool CSGCell::contains_complex(
   Position r, Direction u, int32_t on_surface) const
 {
   bool in_cell = true;
+  int total_depth = 0;
 
   // For each token
   for (auto it = region_infix_.begin(); it != region_infix_.end(); it++) {
@@ -889,6 +890,13 @@ bool CSGCell::contains_complex(
       }
     } else if ((token == OP_UNION && in_cell == true) ||
                (token == OP_INTERSECTION && in_cell == false)) {
+      // If the total depth is zero return
+      if (total_depth == 0) {
+        return in_cell;
+      }
+      
+      total_depth--;
+
       // While the iterator is within the bounds of the vector
       int depth = 1;
       do {
@@ -905,7 +913,11 @@ bool CSGCell::contains_complex(
             depth++;
           }
         }
-      } while (depth > 0 && it < region_infix_.end() - 1);
+      } while (depth > 0);
+    } else if (token == OP_LEFT_PAREN) {
+      total_depth++;
+    } else if (token == OP_RIGHT_PAREN) {
+      total_depth--;
     }
   }
   return in_cell;

From 2a7a6b171ed59dd8c6d2ed599be4151549c50015 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 17 Aug 2022 09:26:46 -0500
Subject: [PATCH 0865/2654] Fix flux equation per @yardasol suggestion

Co-authored-by: Olek <45364492+yardasol@users.noreply.github.com>
---
 docs/source/usersguide/depletion.rst | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/docs/source/usersguide/depletion.rst b/docs/source/usersguide/depletion.rst
index 2d03e167b..be9406182 100644
--- a/docs/source/usersguide/depletion.rst
+++ b/docs/source/usersguide/depletion.rst
@@ -319,7 +319,7 @@ normalizing reaction rates:
 
    .. math::
 
-      \phi = \frac{P}{\sum\limits_i (Q_i \sigma^f_i n_i)}
+      \phi = \frac{P}{\sum\limits_i (Q_i \sigma^f_i N_i)}
 
    where :math:`P` is the power, :math:`Q_i` is the fission Q value for nuclide
    :math:`i`, :math:`\sigma_i^f` is the microscopic fission cross section for

From 9897fe372797d72fd14d285bad3f8ef2c91b451c Mon Sep 17 00:00:00 2001
From: James Logan <jlogan03@gmail.com>
Date: Wed, 17 Aug 2022 13:45:50 -0400
Subject: [PATCH 0866/2654] add pass-through to allow plotting geometry on
 existing axes

---
 openmc/universe.py | 15 +++++++++------
 1 file changed, 9 insertions(+), 6 deletions(-)

diff --git a/openmc/universe.py b/openmc/universe.py
index 4aa1775fb..c95a80f06 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -360,12 +360,15 @@ class Universe(UniverseBase):
 
             # Create a figure sized such that the size of the axes within
             # exactly matches the number of pixels specified
-            px = 1/plt.rcParams['figure.dpi']
-            fig, ax = plt.subplots()
-            params = fig.subplotpars
-            width = pixels[0]*px/(params.right - params.left)
-            height = pixels[0]*px/(params.top - params.bottom)
-            fig.set_size_inches(width, height)
+            if kwargs.get("ax") is None:
+                px = 1/plt.rcParams['figure.dpi']
+                fig, ax = plt.subplots()
+                params = fig.subplotpars
+                width = pixels[0]*px/(params.right - params.left)
+                height = pixels[0]*px/(params.top - params.bottom)
+                fig.set_size_inches(width, height)
+            else:
+                ax = kwargs.pop("ax")
 
             # Plot image and return the axes
             return ax.imshow(img, extent=(x_min, x_max, y_min, y_max), **kwargs)

From 3bdf2ddfc88fad57024163eca70999c18f89f278 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 18 Aug 2022 09:35:04 -0500
Subject: [PATCH 0867/2654] Remove -dev tag from version number (0.13.1)

---
 docs/source/conf.py         | 2 +-
 include/openmc/version.h.in | 2 +-
 openmc/__init__.py          | 2 +-
 3 files changed, 3 insertions(+), 3 deletions(-)

diff --git a/docs/source/conf.py b/docs/source/conf.py
index a7a3c803a..4f88314f6 100644
--- a/docs/source/conf.py
+++ b/docs/source/conf.py
@@ -71,7 +71,7 @@ copyright = '2011-2022, Massachusetts Institute of Technology, UChicago Argonne
 # The short X.Y version.
 version = "0.13"
 # The full version, including alpha/beta/rc tags.
-release = "0.13.1-dev"
+release = "0.13.1"
 
 # The language for content autogenerated by Sphinx. Refer to documentation
 # for a list of supported languages.
diff --git a/include/openmc/version.h.in b/include/openmc/version.h.in
index e1c2b0541..a518e0d63 100644
--- a/include/openmc/version.h.in
+++ b/include/openmc/version.h.in
@@ -10,7 +10,7 @@ namespace openmc {
 constexpr int VERSION_MAJOR {@OPENMC_VERSION_MAJOR@};
 constexpr int VERSION_MINOR {@OPENMC_VERSION_MINOR@};
 constexpr int VERSION_RELEASE {@OPENMC_VERSION_RELEASE@};
-constexpr bool VERSION_DEV {true};
+constexpr bool VERSION_DEV {false};
 constexpr std::array<int, 3> VERSION {VERSION_MAJOR, VERSION_MINOR, VERSION_RELEASE};
 // clang-format on
 
diff --git a/openmc/__init__.py b/openmc/__init__.py
index e63e9e4d1..7ed9009a2 100644
--- a/openmc/__init__.py
+++ b/openmc/__init__.py
@@ -37,4 +37,4 @@ from . import examples
 from openmc.model import rectangular_prism, hexagonal_prism, Model
 
 
-__version__ = '0.13.1-dev'
+__version__ = '0.13.1'

From 0ef945cc06aac18517d5ca1825bf1c876e843633 Mon Sep 17 00:00:00 2001
From: lewisgross1296 <ligross@wisc.edu>
Date: Thu, 18 Aug 2022 14:55:56 -0500
Subject: [PATCH 0868/2654] removing set_strides() from tally.cpp causes
 issues, but it should be fine to add in openmc_simulation_init() and in there
 should occur before init_results. this is because init_results use
 n_filter_bins_ which is modified by set_strides()

---
 src/simulation.cpp | 1 +
 1 file changed, 1 insertion(+)

diff --git a/src/simulation.cpp b/src/simulation.cpp
index b70535c33..d7292cb9d 100644
--- a/src/simulation.cpp
+++ b/src/simulation.cpp
@@ -97,6 +97,7 @@ int openmc_simulation_init()
 
   // Allocate tally results arrays if they're not allocated yet
   for (auto& t : model::tallies) {
+    t->set_strides();
     t->init_results();
   }
 

From 53b85e0c9628945609a5965b38b188dbcf258b28 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 19 Aug 2022 07:16:31 -0500
Subject: [PATCH 0869/2654] Change version number to 0.14.0-dev

---
 CMakeLists.txt              | 4 ++--
 docs/source/conf.py         | 4 ++--
 include/openmc/version.h.in | 2 +-
 openmc/__init__.py          | 2 +-
 4 files changed, 6 insertions(+), 6 deletions(-)

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 5e949070c..995480372 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -3,8 +3,8 @@ project(openmc C CXX)
 
 # Set version numbers
 set(OPENMC_VERSION_MAJOR 0)
-set(OPENMC_VERSION_MINOR 13)
-set(OPENMC_VERSION_RELEASE 1)
+set(OPENMC_VERSION_MINOR 14)
+set(OPENMC_VERSION_RELEASE 0)
 set(OPENMC_VERSION ${OPENMC_VERSION_MAJOR}.${OPENMC_VERSION_MINOR}.${OPENMC_VERSION_RELEASE})
 configure_file(include/openmc/version.h.in "${CMAKE_BINARY_DIR}/include/openmc/version.h" @ONLY)
 
diff --git a/docs/source/conf.py b/docs/source/conf.py
index 4f88314f6..98ccdee44 100644
--- a/docs/source/conf.py
+++ b/docs/source/conf.py
@@ -69,9 +69,9 @@ copyright = '2011-2022, Massachusetts Institute of Technology, UChicago Argonne
 # built documents.
 #
 # The short X.Y version.
-version = "0.13"
+version = "0.14"
 # The full version, including alpha/beta/rc tags.
-release = "0.13.1"
+release = "0.14.0"
 
 # The language for content autogenerated by Sphinx. Refer to documentation
 # for a list of supported languages.
diff --git a/include/openmc/version.h.in b/include/openmc/version.h.in
index a518e0d63..e1c2b0541 100644
--- a/include/openmc/version.h.in
+++ b/include/openmc/version.h.in
@@ -10,7 +10,7 @@ namespace openmc {
 constexpr int VERSION_MAJOR {@OPENMC_VERSION_MAJOR@};
 constexpr int VERSION_MINOR {@OPENMC_VERSION_MINOR@};
 constexpr int VERSION_RELEASE {@OPENMC_VERSION_RELEASE@};
-constexpr bool VERSION_DEV {false};
+constexpr bool VERSION_DEV {true};
 constexpr std::array<int, 3> VERSION {VERSION_MAJOR, VERSION_MINOR, VERSION_RELEASE};
 // clang-format on
 
diff --git a/openmc/__init__.py b/openmc/__init__.py
index 7ed9009a2..abcac899f 100644
--- a/openmc/__init__.py
+++ b/openmc/__init__.py
@@ -37,4 +37,4 @@ from . import examples
 from openmc.model import rectangular_prism, hexagonal_prism, Model
 
 
-__version__ = '0.13.1'
+__version__ = '0.14.0-dev'

From 085125ef866f62cb4f0486385d5c299fde550219 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Tue, 23 Aug 2022 16:30:53 +0100
Subject: [PATCH 0870/2654] added optional nuclide to atom densities

---
 openmc/material.py                | 21 ++++++++++++++-------
 tests/unit_tests/test_material.py |  7 +++++++
 2 files changed, 21 insertions(+), 7 deletions(-)

diff --git a/openmc/material.py b/openmc/material.py
index 167eaba84..16b5923d7 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -825,9 +825,15 @@ class Material(IDManagerMixin):
 
         return nuclides
 
-    def get_nuclide_atom_densities(self):
-        """Returns all nuclides in the material and their atomic densities in
-        units of atom/b-cm
+    def get_nuclide_atom_densities(self, nuclide: Optional[str] = None):
+        """Returns one or all nuclides in the material and their atomic
+        densities in units of atom/b-cm
+
+        Parameters
+        ----------
+        nuclides : str, optional
+            Nuclide for which atom density is desired. If not specified, the
+            atom density for the all the material is given.
 
         .. versionchanged:: 0.13.1
             The values in the dictionary were changed from a tuple containing
@@ -862,10 +868,11 @@ class Material(IDManagerMixin):
         nuc_densities = []
         nuc_density_types = []
 
-        for nuclide in self.nuclides:
-            nucs.append(nuclide.name)
-            nuc_densities.append(nuclide.percent)
-            nuc_density_types.append(nuclide.percent_type)
+        for loop_nuclide in self.nuclides:
+            if nuclide is None or nuclide == loop_nuclide.name:
+                nucs.append(loop_nuclide.name)
+                nuc_densities.append(loop_nuclide.percent)
+                nuc_density_types.append(loop_nuclide.percent_type)
 
         nucs = np.array(nucs)
         nuc_densities = np.array(nuc_densities)
diff --git a/tests/unit_tests/test_material.py b/tests/unit_tests/test_material.py
index 451c5308a..1e5b8a797 100644
--- a/tests/unit_tests/test_material.py
+++ b/tests/unit_tests/test_material.py
@@ -339,6 +339,13 @@ def test_get_nuclide_atom_densities(uo2):
         assert density > 0
 
 
+def test_get_specific_nuclide_atom_densities(uo2):
+    print(uo2)
+    nuc = uo2.get_nuclide_atom_densities(nuclide='O16')
+    assert list(nuc.keys()) == ['O16']
+    assert list(nuc.values())[0] > 0
+
+
 def test_get_nuclide_atoms():
     mat = openmc.Material()
     mat.add_nuclide('Li6', 1.0)

From 6171e09ed3c65d822623815fb62ffc8d83812a3a Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Tue, 23 Aug 2022 16:42:22 +0100
Subject: [PATCH 0871/2654] improved test fixed sum bug

---
 openmc/material.py                | 10 +++++-----
 tests/unit_tests/test_material.py | 10 +++++++---
 2 files changed, 12 insertions(+), 8 deletions(-)

diff --git a/openmc/material.py b/openmc/material.py
index 16b5923d7..f83c63c14 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -869,10 +869,9 @@ class Material(IDManagerMixin):
         nuc_density_types = []
 
         for loop_nuclide in self.nuclides:
-            if nuclide is None or nuclide == loop_nuclide.name:
-                nucs.append(loop_nuclide.name)
-                nuc_densities.append(loop_nuclide.percent)
-                nuc_density_types.append(loop_nuclide.percent_type)
+            nucs.append(loop_nuclide.name)
+            nuc_densities.append(loop_nuclide.percent)
+            nuc_density_types.append(loop_nuclide.percent_type)
 
         nucs = np.array(nucs)
         nuc_densities = np.array(nuc_densities)
@@ -904,7 +903,8 @@ class Material(IDManagerMixin):
 
         nuclides = OrderedDict()
         for n, nuc in enumerate(nucs):
-            nuclides[nuc] = nuc_densities[n]
+            if nuclide is None or nuclide == nuc:
+                nuclides[nuc] = nuc_densities[n]
 
         return nuclides
 
diff --git a/tests/unit_tests/test_material.py b/tests/unit_tests/test_material.py
index 1e5b8a797..f841c805b 100644
--- a/tests/unit_tests/test_material.py
+++ b/tests/unit_tests/test_material.py
@@ -341,9 +341,13 @@ def test_get_nuclide_atom_densities(uo2):
 
 def test_get_specific_nuclide_atom_densities(uo2):
     print(uo2)
-    nuc = uo2.get_nuclide_atom_densities(nuclide='O16')
-    assert list(nuc.keys()) == ['O16']
-    assert list(nuc.values())[0] > 0
+    one_nuc = uo2.get_nuclide_atom_densities(nuclide='O16')
+    assert list(one_nuc.keys()) == ['O16']
+    assert list(one_nuc.values())[0] > 0
+
+    all_nuc = uo2.get_nuclide_atom_densities()
+    assert all_nuc['O16'] == one_nuc['O16']
+
 
 
 def test_get_nuclide_atoms():

From 2a71a244d983a645dc8e3ade5972cec494d4b930 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Tue, 23 Aug 2022 16:44:56 +0100
Subject: [PATCH 0872/2654] if statement no longer needed

---
 openmc/material.py | 9 ++++-----
 1 file changed, 4 insertions(+), 5 deletions(-)

diff --git a/openmc/material.py b/openmc/material.py
index f83c63c14..957e0ba2d 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -984,11 +984,10 @@ class Material(IDManagerMixin):
 
         """
         mass_density = 0.0
-        for nuc, atoms_per_bcm in self.get_nuclide_atom_densities().items():
-            if nuclide is None or nuclide == nuc:
-                density_i = 1e24 * atoms_per_bcm * openmc.data.atomic_mass(nuc) \
-                            / openmc.data.AVOGADRO
-                mass_density += density_i
+        for nuc, atoms_per_bcm in self.get_nuclide_atom_densities(nuclide=nuclide).items():
+            density_i = 1e24 * atoms_per_bcm * openmc.data.atomic_mass(nuc) \
+                        / openmc.data.AVOGADRO
+            mass_density += density_i
         return mass_density
 
     def get_mass(self, nuclide: Optional[str] = None):

From dc6e2266fb5a57265fa7f46751aee80f0bd0139c Mon Sep 17 00:00:00 2001
From: lewisgross1296 <ligross@wisc.edu>
Date: Tue, 23 Aug 2022 16:57:34 -0500
Subject: [PATCH 0873/2654] removed set_strides() from set_filters().
 determined my tests were weird locally and this was not causing them to fail

---
 src/tallies/tally.cpp | 3 ---
 1 file changed, 3 deletions(-)

diff --git a/src/tallies/tally.cpp b/src/tallies/tally.cpp
index 59adce455..11d5b245f 100644
--- a/src/tallies/tally.cpp
+++ b/src/tallies/tally.cpp
@@ -374,9 +374,6 @@ void Tally::set_filters(gsl::span<Filter*> filters)
       delayedgroup_filter_ = i;
     }
   }
-
-  // Set the strides.
-  set_strides();
 }
 
 void Tally::set_strides()

From 1e55089e9d67cbf4a11c0b0487521958c1d9fde2 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <drshimwell@gmail.com>
Date: Tue, 23 Aug 2022 23:20:18 +0100
Subject: [PATCH 0874/2654] [skip ci] removed print statement

---
 tests/unit_tests/test_material.py | 1 -
 1 file changed, 1 deletion(-)

diff --git a/tests/unit_tests/test_material.py b/tests/unit_tests/test_material.py
index f841c805b..ce9bc2122 100644
--- a/tests/unit_tests/test_material.py
+++ b/tests/unit_tests/test_material.py
@@ -340,7 +340,6 @@ def test_get_nuclide_atom_densities(uo2):
 
 
 def test_get_specific_nuclide_atom_densities(uo2):
-    print(uo2)
     one_nuc = uo2.get_nuclide_atom_densities(nuclide='O16')
     assert list(one_nuc.keys()) == ['O16']
     assert list(one_nuc.values())[0] > 0

From 08f026496b88e427abdbe3bfab77ed7825a6dbc3 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <drshimwell@gmail.com>
Date: Tue, 23 Aug 2022 23:20:59 +0100
Subject: [PATCH 0875/2654] [skip ci] removed blank line pep8

---
 tests/unit_tests/test_material.py | 1 -
 1 file changed, 1 deletion(-)

diff --git a/tests/unit_tests/test_material.py b/tests/unit_tests/test_material.py
index ce9bc2122..9425da44f 100644
--- a/tests/unit_tests/test_material.py
+++ b/tests/unit_tests/test_material.py
@@ -348,7 +348,6 @@ def test_get_specific_nuclide_atom_densities(uo2):
     assert all_nuc['O16'] == one_nuc['O16']
 
 
-
 def test_get_nuclide_atoms():
     mat = openmc.Material()
     mat.add_nuclide('Li6', 1.0)

From fb8b4e0690f0d8b304e5bc4ed6600a608780f596 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Wed, 24 Aug 2022 10:50:40 +0100
Subject: [PATCH 0876/2654] added main method to voxel script

---
 scripts/openmc-voxel-to-vtk | 64 ++++++++++++++++++++-----------------
 1 file changed, 34 insertions(+), 30 deletions(-)

diff --git a/scripts/openmc-voxel-to-vtk b/scripts/openmc-voxel-to-vtk
index 33251144f..01b4808d2 100755
--- a/scripts/openmc-voxel-to-vtk
+++ b/scripts/openmc-voxel-to-vtk
@@ -1,54 +1,46 @@
 #!/usr/bin/env python3
 
-import struct
-import sys
 from argparse import ArgumentParser
 
-import numpy as np
 import h5py
 import vtk
 
 _min_version = (2, 0)
 
 
-def main():
-    # Process command line arguments
-    parser = ArgumentParser()
-    parser.add_argument('voxel_file', help='Path to voxel file')
-    parser.add_argument('-o', '--output', action='store',
-                        default='plot', help='Path to output VTK file.')
-    args = parser.parse_args()
+def voxel_to_vtk(voxel_file: str, output: str):
 
     # Read data from voxel file
-    fh = h5py.File(args.voxel_file, 'r')
+    fh = h5py.File(voxel_file, "r")
 
     # check version
-    version = tuple(fh.attrs['version'])
+    version = tuple(fh.attrs["version"])
     if version < _min_version:
-        old_version = ".".join(map(str,version))
-        min_version = ".".join(map(str,_min_version))
-        err_msg = "This voxel file's version is {}. This script " \
-                  "only supports voxel files with version {} or " \
-                  "higher. Please generate a new voxel file using " \
-                  "a newer version of OpenMC.".format(old_version, min_version)
+        old_version = ".".join(map(str, version))
+        min_version = ".".join(map(str, _min_version))
+        err_msg = (
+            "This voxel file's version is {}. This script "
+            "only supports voxel files with version {} or "
+            "higher. Please generate a new voxel file using "
+            "a newer version of OpenMC.".format(old_version, min_version)
+        )
         raise ValueError(err_msg)
 
-    dimension = fh.attrs['num_voxels']
-    width = fh.attrs['voxel_width']
-    lower_left = fh.attrs['lower_left']
+    dimension = fh.attrs["num_voxels"]
+    width = fh.attrs["voxel_width"]
+    lower_left = fh.attrs["lower_left"]
 
     nx, ny, nz = dimension
-    upper_right = lower_left + width*dimension
 
     grid = vtk.vtkImageData()
-    grid.SetDimensions(nx+1, ny+1, nz+1)
+    grid.SetDimensions(nx + 1, ny + 1, nz + 1)
     grid.SetOrigin(*lower_left)
     grid.SetSpacing(*width)
 
     # transpose data from OpenMC ordering (zyx) to VTK ordering (xyz)
     # and flatten to 1-D array
     print("Reading and translating data...")
-    h5data = fh['data'][...]
+    h5data = fh["data"][...]
 
     data = vtk.vtkIntArray()
     data.SetName("id")
@@ -62,11 +54,23 @@ def main():
         writer.SetInputData(grid)
     else:
         writer.SetInput(grid)
-    if not args.output.endswith(".vti"):
-        args.output += ".vti"
-    writer.SetFileName(args.output)
-    print("Writing VTK file {}...".format(args.output))
+    if not output.endswith(".vti"):
+        output += ".vti"
+    writer.SetFileName(output)
+    print("Writing VTK file {}...".format(output))
     writer.Write()
 
-if __name__ == '__main__':
-    main()
+
+if __name__ == "__main__":
+    # Process command line arguments
+    parser = ArgumentParser('Converts a voxel HDF5 file to a VTK file')
+    parser.add_argument("voxel_file", help="Path to voxel h5 file")
+    parser.add_argument(
+        "-o",
+        "--output",
+        action="store",
+        default="plot",
+        help="Path to output VTK file.",
+    )
+    args = parser.parse_args()
+    voxel_to_vtk(args.voxel_file, args.output)

From 8aa7b40c412a999227281f51824fb6d684433398 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Wed, 24 Aug 2022 12:20:10 +0100
Subject: [PATCH 0877/2654] added main to ace-to-hdf5

---
 scripts/openmc-ace-to-hdf5 | 194 +++++++++++++++++++++----------------
 1 file changed, 109 insertions(+), 85 deletions(-)

diff --git a/scripts/openmc-ace-to-hdf5 b/scripts/openmc-ace-to-hdf5
index 7c391fd6f..d7eb488f7 100755
--- a/scripts/openmc-ace-to-hdf5
+++ b/scripts/openmc-ace-to-hdf5
@@ -28,102 +28,126 @@ import openmc.data
 from openmc.data.ace import TableType
 
 
-class CustomFormatter(argparse.ArgumentDefaultsHelpFormatter,
-                      argparse.RawDescriptionHelpFormatter):
-    pass
+def ace_to_hdf5(destination, xsdir, xsdata, libraries, metastable, libver):
 
+    if not destination.is_dir():
+        destination.mkdir(parents=True, exist_ok=True)
 
-parser = argparse.ArgumentParser(
-    description=__doc__,
-    formatter_class=CustomFormatter
-)
-parser.add_argument('libraries', nargs='*',
-                    help='ACE libraries to convert to HDF5')
-parser.add_argument('-d', '--destination', type=Path, default=Path.cwd(),
-                    help='Directory to create new library in')
-parser.add_argument('-m', '--metastable', choices=['mcnp', 'nndc'],
-                    default='nndc',
-                    help='How to interpret ZAIDs for metastable nuclides')
-parser.add_argument('--xsdir', help='MCNP xsdir file that lists '
-                    'ACE libraries')
-parser.add_argument('--xsdata', help='Serpent xsdata file that lists '
-                    'ACE libraries')
-parser.add_argument('--libver', choices=['earliest', 'latest'],
-                    default='earliest', help="Output HDF5 versioning. Use "
-                    "'earliest' for backwards compatibility or 'latest' for "
-                    "performance")
-args = parser.parse_args()
+    ace_libraries = []
+    if xsdir is not None:
+        ace_libraries.extend(openmc.data.ace.get_libraries_from_xsdir(xsdir))
+    elif xsdata is not None:
+        ace_libraries.extend(openmc.data.ace.get_libraries_from_xsdata(xsdata))
+    else:
+        ace_libraries = [Path(lib) for lib in libraries]
 
-if not args.destination.is_dir():
-    args.destination.mkdir(parents=True, exist_ok=True)
+    converted = {}
+    library = openmc.data.DataLibrary()
 
-ace_libraries = []
-if args.xsdir is not None:
-    ace_libraries.extend(openmc.data.ace.get_libraries_from_xsdir(args.xsdir))
-elif args.xsdata is not None:
-    ace_libraries.extend(openmc.data.ace.get_libraries_from_xsdata(args.xsdata))
-else:
-    ace_libraries = [Path(lib) for lib in args.libraries]
-
-converted = {}
-library = openmc.data.DataLibrary()
-
-for path in ace_libraries:
-    # Check that ACE library exists
-    if not os.path.exists(path):
-        warnings.warn("ACE library '{}' does not exist.".format(path))
-        continue
-
-    lib = openmc.data.ace.Library(path)
-    for table in lib.tables:
-        # Check type of the ACE table and determine appropriate class /
-        # conversion function
-        if table.data_type == TableType.NEUTRON_CONTINUOUS:
-            name = table.zaid
-            cls = openmc.data.IncidentNeutron
-            converter = partial(cls.from_ace, metastable_scheme=args.metastable)
-        elif table.data_type == TableType.THERMAL_SCATTERING:
-            # Adjust name to be the new thermal scattering name
-            name = openmc.data.get_thermal_name(table.zaid)
-            cls = openmc.data.ThermalScattering
-            converter = cls.from_ace
-        else:
-            print("Can't convert ACE table {}".format(table.name))
+    for path in ace_libraries:
+        # Check that ACE library exists
+        if not os.path.exists(path):
+            warnings.warn(f"ACE library '{path}' does not exist.")
             continue
 
-        if name not in converted:
-            try:
-                data = converter(table)
-            except Exception as e:
-                print('Failed to convert {}: {}'.format(table.name, e))
+        lib = openmc.data.ace.Library(path)
+        for table in lib.tables:
+            # Check type of the ACE table and determine appropriate class /
+            # conversion function
+            if table.data_type == TableType.NEUTRON_CONTINUOUS:
+                name = table.zaid
+                cls = openmc.data.IncidentNeutron
+                converter = partial(cls.from_ace, metastable_scheme=metastable)
+            elif table.data_type == TableType.THERMAL_SCATTERING:
+                # Adjust name to be the new thermal scattering name
+                name = openmc.data.get_thermal_name(table.zaid)
+                cls = openmc.data.ThermalScattering
+                converter = cls.from_ace
+            else:
+                print(f"Can't convert ACE table {table.name}")
                 continue
 
-            print('Converting {} (ACE) to {} (HDF5)'.format(table.name, data.name))
+            if name not in converted:
+                try:
+                    data = converter(table)
+                except Exception as e:
+                    print(f"Failed to convert {table.name}: {e}")
+                    continue
 
-            # Determine output filename
-            outfile = args.destination / (data.name.replace('.', '_') + '.h5')
-            data.export_to_hdf5(outfile, 'w', libver=args.libver)
+                print(f"Converting {table.name} (ACE) to {data.name} (HDF5)")
 
-            # Register with library
-            library.register_file(outfile)
+                # Determine output filename
+                outfile = destination / (data.name.replace(".", "_") + ".h5")
+                data.export_to_hdf5(outfile, "w", libver=libver)
 
-            # Add nuclide to list
-            converted[name] = outfile
-        else:
-            # Read existing HDF5 file
-            data = cls.from_hdf5(converted[name])
+                # Register with library
+                library.register_file(outfile)
 
-            # Add data for new temperature
-            try:
-                print('Converting {} (ACE) to {} (HDF5)'
-                      .format(table.name, data.name))
-                data.add_temperature_from_ace(table, args.metastable)
-            except Exception as e:
-                print('Failed to convert {}: {}'.format(table.name, e))
-                continue
+                # Add nuclide to list
+                converted[name] = outfile
+            else:
+                # Read existing HDF5 file
+                data = cls.from_hdf5(converted[name])
 
-            # Re-export
-            data.export_to_hdf5(converted[name], 'w', libver=args.libver)
+                # Add data for new temperature
+                try:
+                    print(f"Converting {table.name} (ACE) to {data.name} (HDF5)")
+                    data.add_temperature_from_ace(table, metastable)
+                except Exception as e:
+                    print(f"Failed to convert {table.name}: {e}")
+                    continue
 
-# Write cross_sections.xml
-library.export_to_xml(args.destination / 'cross_sections.xml')
+                # Re-export
+                data.export_to_hdf5(converted[name], "w", libver=libver)
+
+    # Write cross_sections.xml
+    library.export_to_xml(destination / "cross_sections.xml")
+
+
+if __name__ == "__main__":
+
+    class CustomFormatter(
+        argparse.ArgumentDefaultsHelpFormatter, argparse.RawDescriptionHelpFormatter
+    ):
+        pass
+
+    parser = argparse.ArgumentParser(
+        description=__doc__, formatter_class=CustomFormatter
+    )
+    parser.add_argument("libraries", nargs="*", help="ACE libraries to convert to HDF5")
+    parser.add_argument(
+        "-d",
+        "--destination",
+        type=Path,
+        default=Path.cwd(),
+        help="Directory to create new library in",
+    )
+    parser.add_argument(
+        "-m",
+        "--metastable",
+        choices=["mcnp", "nndc"],
+        default="nndc",
+        help="How to interpret ZAIDs for metastable nuclides",
+    )
+    parser.add_argument("--xsdir", help="MCNP xsdir file that lists " "ACE libraries")
+    parser.add_argument(
+        "--xsdata", help="Serpent xsdata file that lists " "ACE libraries"
+    )
+    parser.add_argument(
+        "--libver",
+        choices=["earliest", "latest"],
+        default="earliest",
+        help="Output HDF5 versioning. Use "
+        "'earliest' for backwards compatibility or 'latest' "
+        "for performance",
+    )
+    args = parser.parse_args()
+
+    ace_to_hdf5(
+        destination=args.destination,
+        xsdir=args.xsdir,
+        xsdata=args.xsdata,
+        libraries=args.libraries,
+        metastable=args.metastable,
+        libver=args.libver,
+    )

From cb3dfe62adbe646bb4fd4888ed436d9b063e6c07 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Wed, 24 Aug 2022 12:37:43 +0100
Subject: [PATCH 0878/2654] added main method to validate xml

---
 scripts/openmc-validate-xml | 163 ++++++++++++++++++------------------
 1 file changed, 83 insertions(+), 80 deletions(-)

diff --git a/scripts/openmc-validate-xml b/scripts/openmc-validate-xml
index f36ba2b5d..e3aeb1039 100755
--- a/scripts/openmc-validate-xml
+++ b/scripts/openmc-validate-xml
@@ -4,96 +4,99 @@ import os
 import sys
 import glob
 import lxml.etree as etree
-from subprocess import call
 from optparse import OptionParser
 
-# Command line parsing
-parser = OptionParser()
-parser.add_option('-r', '--relaxng-path', dest='relaxng',
-                  help="Path to RelaxNG files.")
-parser.add_option('-i', '--input-path', dest='inputs', default=os.getcwd(),
-                  help="Path to OpenMC input files." )
-(options, args) = parser.parse_args()
+def validate_xml(inputs, relaxng):
 
-# Colored output
-if sys.stdout.isatty():
-    OK = '\033[92m'
-    FAIL = '\033[91m'
-    NOT_FOUND = '\033[93m'
-    ENDC = '\033[0m'
-    BOLD = '\033[1m'
-else:
-    OK = ''
-    FAIL = ''
-    ENDC = ''
-    BOLD = ''
-    NOT_FOUND = ''
-
-# Get absolute paths
-if options.relaxng is not None:
-    relaxng_path = os.path.abspath(options.relaxng)
-if options.inputs is not None:
-    inputs_path = os.path.abspath(options.inputs)
-
-# Search for relaxng path if not set
-if options.relaxng is None:
-    xml_validate_path = os.path.abspath(os.path.dirname(sys.argv[0]))
-    if "bin" in xml_validate_path:
-        relaxng_path = os.path.join(xml_validate_path, "..", "share", "relaxng")
-    elif os.path.join("src", "utils") in xml_validate_path:
-        relaxng_path = os.path.join(xml_validate_path, "..", "relaxng")
+    # Colored output
+    if sys.stdout.isatty():
+        OK = '\033[92m'
+        FAIL = '\033[91m'
+        NOT_FOUND = '\033[93m'
+        ENDC = '\033[0m'
+        BOLD = '\033[1m'
     else:
-        raise Exception("Set RelaxNG path with -r command line option.")
-if not os.path.exists(relaxng_path):
-    raise Exception("RelaxNG path: {0} does not exist, set with -r "
-                    "command line option.".format(relaxng_path))
+        OK = ''
+        FAIL = ''
+        ENDC = ''
+        BOLD = ''
+        NOT_FOUND = ''
 
-# Make sure there are .rng files in RelaxNG path
-rng_files = glob.glob(os.path.join(relaxng_path, "*.rng"))
-if len(rng_files) == 0:
-    raise Exception("No .rng files found in RelaxNG "
-                    "path: {0}.".format(relaxng_path))
+    # Get absolute paths
+    if relaxng is not None:
+        relaxng_path = os.path.abspath(relaxng)
+    if inputs is not None:
+        inputs_path = os.path.abspath(inputs)
 
-# Get list of xml input files
-xml_files = glob.glob(os.path.join(inputs_path, "*.xml"))
-if len(xml_files) == 0:
-    raise Exception("No .xml files found at input path: {0}"
-                    ".".format(inputs_path))
+    # Search for relaxng path if not set
+    if relaxng is None:
+        xml_validate_path = os.path.abspath(os.path.dirname(sys.argv[0]))
+        if "bin" in xml_validate_path:
+            relaxng_path = os.path.join(xml_validate_path, "..", "share", "relaxng")
+        elif os.path.join("src", "utils") in xml_validate_path:
+            relaxng_path = os.path.join(xml_validate_path, "..", "relaxng")
+        else:
+            raise Exception("Set RelaxNG path with -r command line option.")
+    if not os.path.exists(relaxng_path):
+        raise Exception(f"RelaxNG path: {relaxng_path} does not exist, set "
+                        "with -r command line option.")
 
-# Begin loop around input files
-for xml_file in xml_files:
+    # Make sure there are .rng files in RelaxNG path
+    rng_files = glob.glob(os.path.join(relaxng_path, "*.rng"))
+    if len(rng_files) == 0:
+        raise Exception(f"No .rng files found in RelaxNG path: {relaxng_path}.")
 
-    text = "Validating {0}".format(os.path.basename(xml_file))
-    print(text + '.'*(30 - len(text)), end="")
+    # Get list of xml input files
+    xml_files = glob.glob(os.path.join(inputs_path, "*.xml"))
+    if len(xml_files) == 0:
+        raise Exception(f"No .xml files found at input path: {inputs_path}.")
 
-    # Validate the XML file
-    try:
-        xml_tree = etree.parse(xml_file)
-    except etree.XMLSyntaxError as e:
-        print(BOLD + FAIL + '[XML ERROR]' + ENDC)
-        print("    {0}".format(e))
-        continue
+    # Begin loop around input files
+    for xml_file in xml_files:
 
-    # Get xml_filename prefix
-    xml_prefix = os.path.basename(xml_file)
-    xml_prefix = xml_prefix.split(".")[0]
+        text = f"Validating {os.path.basename(xml_file)}"
+        print(text + '.'*(30 - len(text)), end="")
 
-    # Search for rng file
-    rng_file = os.path.join(relaxng_path, xml_prefix + ".rng")
-    if rng_file in rng_files:
-
-        # read in RelaxNG
-        relaxng_doc = etree.parse(rng_file)
-        relaxng = etree.RelaxNG(relaxng_doc)
-
-        # validate xml file again RelaxNG
+        # Validate the XML file
         try:
-            relaxng.assertValid(xml_tree)
-            print(BOLD + OK + '[VALID]' + ENDC)
-        except (etree.DocumentInvalid, TypeError) as e:
-            print(BOLD + FAIL + '[NOT VALID]' + ENDC)
-            print("    {0}".format(e))
+            xml_tree = etree.parse(xml_file)
+        except etree.XMLSyntaxError as e:
+            print(BOLD + FAIL + '[XML ERROR]' + ENDC)
+            print(f"    {e}")
+            continue
 
-    # RNG file does not exist
-    else:
-        print(BOLD + NOT_FOUND + '[NO RELAXNG FOUND]' + ENDC)
+        # Get xml_filename prefix
+        xml_prefix = os.path.basename(xml_file)
+        xml_prefix = xml_prefix.split(".")[0]
+
+        # Search for rng file
+        rng_file = os.path.join(relaxng_path, xml_prefix + ".rng")
+        if rng_file in rng_files:
+
+            # read in RelaxNG
+            relaxng_doc = etree.parse(rng_file)
+            relaxng = etree.RelaxNG(relaxng_doc)
+
+            # validate xml file again RelaxNG
+            try:
+                relaxng.assertValid(xml_tree)
+                print(BOLD + OK + '[VALID]' + ENDC)
+            except (etree.DocumentInvalid, TypeError) as e:
+                print(BOLD + FAIL + '[NOT VALID]' + ENDC)
+                print(f"    {e}")
+
+        # RNG file does not exist
+        else:
+            print(BOLD + NOT_FOUND + '[NO RELAXNG FOUND]' + ENDC)
+
+
+if __name__ == "__main__":
+    # Command line parsing
+    parser = OptionParser()
+    parser.add_option('-r', '--relaxng-path', dest='relaxng',
+                    help="Path to RelaxNG files.")
+    parser.add_option('-i', '--input-path', dest='inputs', default=os.getcwd(),
+                    help="Path to OpenMC input files." )
+    (options, args) = parser.parse_args()
+
+    validate_xml(inputs=options.inputs, relaxng=options.relaxng)

From 4169cabc5d1923f2d88cf7ad4edc193adf43761e Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Wed, 24 Aug 2022 12:50:53 +0100
Subject: [PATCH 0879/2654] removed script that is now in data repo

---
 scripts/openmc-make-test-data | 164 ----------------------------------
 1 file changed, 164 deletions(-)
 delete mode 100755 scripts/openmc-make-test-data

diff --git a/scripts/openmc-make-test-data b/scripts/openmc-make-test-data
deleted file mode 100755
index 4d26db7fb..000000000
--- a/scripts/openmc-make-test-data
+++ /dev/null
@@ -1,164 +0,0 @@
-#!/usr/bin/env python3
-
-"""
-Download ENDF/B-VII.1 ENDF and ACE files from NNDC and WMP files from GitHub and
-generate a full HDF5 library with incident neutron, incident photon, thermal
-scattering data, and windowed multipole data. This data is used for OpenMC's
-regression test suite.
-"""
-
-import glob
-import os
-from pathlib import Path
-import tarfile
-import tempfile
-from urllib.parse import urljoin
-import zipfile
-
-import openmc.data
-from openmc._utils import download
-
-base_ace = 'https://www.nndc.bnl.gov/endf/b7.1/aceFiles/'
-base_endf = 'https://www.nndc.bnl.gov/endf/b7.1/zips/'
-base_wmp = 'https://github.com/mit-crpg/WMP_Library/releases/download/v1.1/'
-files = [
-    (base_ace, 'ENDF-B-VII.1-neutron-293.6K.tar.gz', '9729a17eb62b75f285d8a7628ace1449'),
-    (base_ace, 'ENDF-B-VII.1-tsl.tar.gz', 'e17d827c92940a30f22f096d910ea186'),
-    (base_endf, 'ENDF-B-VII.1-neutrons.zip', 'e5d7f441fc4c92893322c24d1725e29c'),
-    (base_endf, 'ENDF-B-VII.1-photoat.zip', '5192f94e61f0b385cf536f448ffab4a4'),
-    (base_endf, 'ENDF-B-VII.1-atomic_relax.zip', 'fddb6035e7f2b6931e51a58fc754bd10'),
-    (base_wmp, 'WMP_Library_v1.1.tar.gz', '8523895928dd6ba63fba803e3a45d4f3')
-]
-
-
-def fix_zaid(table, old, new):
-    filename = os.path.join('tsl', table)
-    with open(filename, 'r') as fh:
-        text = fh.read()
-    text = text.replace(old, new, 1)
-    with open(filename, 'w') as fh:
-        fh.write(text)
-
-pwd = Path.cwd()
-output_dir = pwd / 'nndc_hdf5'
-os.makedirs('nndc_hdf5/photon', exist_ok=True)
-
-with tempfile.TemporaryDirectory() as tmpdir:
-    # Temporarily change dir
-    os.chdir(tmpdir)
-
-    # =========================================================================
-    # Download files from NNDC server
-    for base, fname, checksum in files:
-        download(urljoin(base, fname), checksum)
-
-    # =========================================================================
-    # EXTRACT FILES FROM TGZ
-
-    for _, f, _ in files:
-        print('Extracting {}...'.format(f))
-        path = Path(f)
-        if path.suffix == '.gz':
-            with tarfile.open(f, 'r') as tgz:
-                if 'tsl' in f:
-                    tgz.extractall(path='tsl')
-                else:
-                    tgz.extractall()
-        elif path.suffix == '.zip':
-            zipfile.ZipFile(f).extractall()
-
-    # =========================================================================
-    # FIX ZAID ASSIGNMENTS FOR VARIOUS S(A,B) TABLES
-
-    print('Fixing ZAIDs for S(a,b) tables')
-    fix_zaid('bebeo.acer', '8016', '   0')
-    fix_zaid('obeo.acer', '4009', '   0')
-
-    library = openmc.data.DataLibrary()
-
-    # =========================================================================
-    # INCIDENT NEUTRON DATA
-
-    neutron_files = sorted(glob.glob('ENDF-B-VII.1-neutron-293.6K/*.ace'))
-    for f in neutron_files:
-        print('Converting {}...'.format(os.path.basename(f)))
-        data = openmc.data.IncidentNeutron.from_ace(f)
-
-        # Check for fission energy release data on MF=1, MT=458
-        endf_filename = 'neutrons/n-{:03}_{}_{:03}{}.endf'.format(
-            data.atomic_number,
-            data.atomic_symbol,
-            data.mass_number,
-            'm{}'.format(data.metastable) if data.metastable else ''
-        )
-        ev = openmc.data.endf.Evaluation(endf_filename)
-        if (1, 458) in ev.section:
-            endf_data = openmc.data.IncidentNeutron.from_endf(ev)
-            data.fission_energy = endf_data.fission_energy
-
-        # Add 0K elastic scattering data for select nuclides
-        if data.name in ('U235', 'U238', 'Pu239'):
-            data.add_elastic_0K_from_endf(endf_filename)
-
-        # Determine filename
-        outfile = output_dir / (data.name + '.h5')
-        data.export_to_hdf5(outfile, 'w', 'earliest')
-
-        # Register with library
-        library.register_file(outfile)
-
-    # =========================================================================
-    # THERMAL SCATTERING DATA
-
-    thermal_files = sorted(glob.glob('tsl/*.acer'))
-    for f in thermal_files:
-        print('Converting {}...'.format(os.path.basename(f)))
-        data = openmc.data.ThermalScattering.from_ace(f)
-
-        # Determine filename
-        outfile = output_dir / (data.name + '.h5')
-        data.export_to_hdf5(outfile, 'w', 'earliest')
-
-        # Register with library
-        library.register_file(outfile)
-
-    # =========================================================================
-    # INCIDENT PHOTON DATA
-
-    for z in range(1, 101):
-        element = openmc.data.ATOMIC_SYMBOL[z]
-        print('Generating HDF5 file for Z={} ({})...'.format(z, element))
-
-        # Generate instance of IncidentPhoton
-        photo_file = Path('photoat') / 'photoat-{:03}_{}_000.endf'.format(z, element)
-        atom_file = Path('atomic_relax') / 'atom-{:03}_{}_000.endf'.format(z, element)
-        data = openmc.data.IncidentPhoton.from_endf(photo_file, atom_file)
-
-        # Write HDF5 file and register it
-        outfile = output_dir / 'photon' / (element + '.h5')
-        data.export_to_hdf5(outfile, 'w', 'earliest')
-        library.register_file(outfile)
-
-    # =========================================================================
-    # WINDOWED MULTIPOLE DATA
-
-    # Move data into output directory
-    os.rename('WMP_Library', str(output_dir / 'wmp'))
-
-    # Add multipole data to library
-    for f in sorted(glob.glob('{}/wmp/*.h5'.format(output_dir))):
-        print('Registering WMP file {}...'.format(f))
-        library.register_file(f)
-
-    library.export_to_xml(output_dir / 'cross_sections.xml')
-
-    # =========================================================================
-    # CREATE TARBALL AND MOVE BACK
-
-    print('Creating compressed archive...')
-    test_tar = pwd / 'nndc_hdf5_test.tar.xz'
-    with tarfile.open(str(test_tar), 'w:xz') as txz:
-        txz.add(output_dir)
-
-    # Change back to original directory
-    os.chdir(str(pwd))

From 00f05719069cfdfe4848487eb4583baca629d705 Mon Sep 17 00:00:00 2001
From: James Logan <jlogan03@gmail.com>
Date: Wed, 24 Aug 2022 09:43:13 -0400
Subject: [PATCH 0880/2654] add Axes as an argument to Universe.plot instead of
 popping it from kwargs

---
 openmc/universe.py | 11 ++++++-----
 1 file changed, 6 insertions(+), 5 deletions(-)

diff --git a/openmc/universe.py b/openmc/universe.py
index c95a80f06..768c2ba29 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -272,7 +272,7 @@ class Universe(UniverseBase):
 
     def plot(self, origin=(0., 0., 0.), width=(1., 1.), pixels=(200, 200),
              basis='xy', color_by='cell', colors=None, seed=None,
-             openmc_exec='openmc', **kwargs):
+             openmc_exec='openmc', axes=None, **kwargs):
         """Display a slice plot of the universe.
 
         Parameters
@@ -302,6 +302,7 @@ class Universe(UniverseBase):
             Seed for the random number generator
         openmc_exec : str
             Path to OpenMC executable.
+        axes : matplotlib.Axes to draw to
 
             .. versionadded:: 0.13.1
         **kwargs
@@ -360,18 +361,18 @@ class Universe(UniverseBase):
 
             # Create a figure sized such that the size of the axes within
             # exactly matches the number of pixels specified
-            if kwargs.get("ax") is None:
+            if axes is None:
                 px = 1/plt.rcParams['figure.dpi']
-                fig, ax = plt.subplots()
+                fig, axes = plt.subplots()
                 params = fig.subplotpars
                 width = pixels[0]*px/(params.right - params.left)
                 height = pixels[0]*px/(params.top - params.bottom)
                 fig.set_size_inches(width, height)
             else:
-                ax = kwargs.pop("ax")
+                pass
 
             # Plot image and return the axes
-            return ax.imshow(img, extent=(x_min, x_max, y_min, y_max), **kwargs)
+            return axes.imshow(img, extent=(x_min, x_max, y_min, y_max), **kwargs)
 
     def add_cell(self, cell):
         """Add a cell to the universe.

From 519bd75f3e8f6e126e6e130cf1c7de028846b696 Mon Sep 17 00:00:00 2001
From: lewisgross1296 <ligross@wisc.edu>
Date: Wed, 24 Aug 2022 13:51:51 -0500
Subject: [PATCH 0881/2654] switched math.log10 to numpy.log10 so the assert
 passes

---
 tests/unit_tests/test_filters.py | 6 +++---
 1 file changed, 3 insertions(+), 3 deletions(-)

diff --git a/tests/unit_tests/test_filters.py b/tests/unit_tests/test_filters.py
index ec051d9fd..4e741e60f 100644
--- a/tests/unit_tests/test_filters.py
+++ b/tests/unit_tests/test_filters.py
@@ -252,6 +252,6 @@ def test_energy():
 def test_lethargy_bin_width():
     f = openmc.EnergyFilter.from_group_structure('VITAMIN-J-175')
     assert len(f.lethargy_bin_width) == 175
-    energy_bins = openmc.mgxs.GROUP_STRUCTURES['VITAMIN-J-175'] 
-    assert f.lethargy_bin_width[0] == math.log10(energy_bins[1]/energy_bins[0])
-    assert f.lethargy_bin_width[-1] == math.log10(energy_bins[-1]/energy_bins[-2])
+    energy_bins = openmc.mgxs.GROUP_STRUCTURES['VITAMIN-J-175']
+    assert f.lethargy_bin_width[0] == np.log10(energy_bins[1]/energy_bins[0])
+    assert f.lethargy_bin_width[-1] == np.log10(energy_bins[-1]/energy_bins[-2])

From fb6984e0a75a759badd50db0eb169f3de2970a8f Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Thu, 25 Aug 2022 12:50:56 +0100
Subject: [PATCH 0882/2654] added numbers for size

---
 openmc/mesh.py | 11 ++++++-----
 1 file changed, 6 insertions(+), 5 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index af830158c..54d7ba950 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -217,7 +217,7 @@ class StructuredMesh(MeshBase):
         Raises
         ------
         RuntimeError
-            When the size of a dataset doesn't match the number of cells
+            When the size of a dataset doesn't match the number of mesh cells
 
         Returns
         -------
@@ -229,13 +229,14 @@ class StructuredMesh(MeshBase):
         from vtk.util import numpy_support as nps
 
         # check that the data sets are appropriately sized
-        errmsg = "The size of the dataset {} should be equal to the number of cells"
+        errmsg = "The size of the dataset {} ({}) should be equal to the number of mesh cells ({})"
         for label, dataset in datasets.items():
             if isinstance(dataset, np.ndarray):
-                if not dataset.size == self.dimension[0] * self.dimension[1]* self.dimension[2]:
-                    raise RuntimeError(errmsg.format(label))
+                num_cells = self.dimension[0] * self.dimension[1] * self.dimension[2]
+                if not dataset.size == num_cells:
+                    raise RuntimeError(errmsg.format(label, dataset.size, num_cells))
             else:
-                if len(dataset) == self.dimension[0] * self.dimension[1]* self.dimension[2]:
+                if len(dataset) == self.dimension[0] * self.dimension[1] * self.dimension[2]:
                     raise RuntimeError(errmsg.format(label))
             cv.check_type('label', label, str)
 

From 19574d08ccd6b3fea9baba839248c604d8b7eb19 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <drshimwell@gmail.com>
Date: Thu, 25 Aug 2022 14:25:48 +0100
Subject: [PATCH 0883/2654] [skip ci] review suggestion from @pshriwise

Co-authored-by: Patrick Shriwise <pshriwise@gmail.com>
---
 openmc/mesh.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 54d7ba950..d58986285 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -229,7 +229,7 @@ class StructuredMesh(MeshBase):
         from vtk.util import numpy_support as nps
 
         # check that the data sets are appropriately sized
-        errmsg = "The size of the dataset {} ({}) should be equal to the number of mesh cells ({})"
+        errmsg = "The size of the dataset '{}' ({}) should be equal to the number of mesh cells ({})"
         for label, dataset in datasets.items():
             if isinstance(dataset, np.ndarray):
                 num_cells = self.dimension[0] * self.dimension[1] * self.dimension[2]

From 2a903f8eb559c2e8b982712ffa867d46cc792484 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <drshimwell@gmail.com>
Date: Thu, 25 Aug 2022 14:27:45 +0100
Subject: [PATCH 0884/2654] moving errmsg var closer to usage line

---
 openmc/mesh.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index d58986285..0950d8dba 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -229,11 +229,11 @@ class StructuredMesh(MeshBase):
         from vtk.util import numpy_support as nps
 
         # check that the data sets are appropriately sized
-        errmsg = "The size of the dataset '{}' ({}) should be equal to the number of mesh cells ({})"
         for label, dataset in datasets.items():
             if isinstance(dataset, np.ndarray):
                 num_cells = self.dimension[0] * self.dimension[1] * self.dimension[2]
                 if not dataset.size == num_cells:
+                    errmsg = "The size of the dataset '{}' ({}) should be equal to the number of mesh cells ({})"
                     raise RuntimeError(errmsg.format(label, dataset.size, num_cells))
             else:
                 if len(dataset) == self.dimension[0] * self.dimension[1] * self.dimension[2]:

From 474f0742ba535f25266c0707542ecd75a8f0994d Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <drshimwell@gmail.com>
Date: Thu, 25 Aug 2022 15:10:45 +0100
Subject: [PATCH 0885/2654] [skip ci] suggestion from review by @Paulromano

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/material.py                | 10 +++++-----
 tests/unit_tests/test_material.py |  2 +-
 2 files changed, 6 insertions(+), 6 deletions(-)

diff --git a/openmc/material.py b/openmc/material.py
index 957e0ba2d..f4c978798 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -833,7 +833,7 @@ class Material(IDManagerMixin):
         ----------
         nuclides : str, optional
             Nuclide for which atom density is desired. If not specified, the
-            atom density for the all the material is given.
+            atom density for each nuclide in the material is given.
 
         .. versionchanged:: 0.13.1
             The values in the dictionary were changed from a tuple containing
@@ -868,10 +868,10 @@ class Material(IDManagerMixin):
         nuc_densities = []
         nuc_density_types = []
 
-        for loop_nuclide in self.nuclides:
-            nucs.append(loop_nuclide.name)
-            nuc_densities.append(loop_nuclide.percent)
-            nuc_density_types.append(loop_nuclide.percent_type)
+        for nuc in self.nuclides:
+            nucs.append(nuc.name)
+            nuc_densities.append(nuc.percent)
+            nuc_density_types.append(nuc.percent_type)
 
         nucs = np.array(nucs)
         nuc_densities = np.array(nuc_densities)
diff --git a/tests/unit_tests/test_material.py b/tests/unit_tests/test_material.py
index 9425da44f..8bb881795 100644
--- a/tests/unit_tests/test_material.py
+++ b/tests/unit_tests/test_material.py
@@ -339,7 +339,7 @@ def test_get_nuclide_atom_densities(uo2):
         assert density > 0
 
 
-def test_get_specific_nuclide_atom_densities(uo2):
+def test_get_nuclide_atom_densities_specific(uo2):
     one_nuc = uo2.get_nuclide_atom_densities(nuclide='O16')
     assert list(one_nuc.keys()) == ['O16']
     assert list(one_nuc.values())[0] > 0

From cacf279fc8aa667776b8a31f97bd2562d5267b29 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Thu, 25 Aug 2022 15:13:24 +0100
Subject: [PATCH 0886/2654] moved parameters below 0.13.1 directive

---
 openmc/material.py | 8 ++++----
 1 file changed, 4 insertions(+), 4 deletions(-)

diff --git a/openmc/material.py b/openmc/material.py
index f4c978798..d9d4f241d 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -829,16 +829,16 @@ class Material(IDManagerMixin):
         """Returns one or all nuclides in the material and their atomic
         densities in units of atom/b-cm
 
+        .. versionchanged:: 0.13.1
+            The values in the dictionary were changed from a tuple containing
+            the nuclide name and the density to just the density.
+
         Parameters
         ----------
         nuclides : str, optional
             Nuclide for which atom density is desired. If not specified, the
             atom density for each nuclide in the material is given.
 
-        .. versionchanged:: 0.13.1
-            The values in the dictionary were changed from a tuple containing
-            the nuclide name and the density to just the density.
-
         Returns
         -------
         nuclides : dict

From 14e81ab94acb5acd37bc4ffb857875d832fe1153 Mon Sep 17 00:00:00 2001
From: lewisgross1296 <ligross@wisc.edu>
Date: Thu, 25 Aug 2022 09:44:57 -0500
Subject: [PATCH 0887/2654] removed unused import

---
 tests/unit_tests/test_filters.py | 1 -
 1 file changed, 1 deletion(-)

diff --git a/tests/unit_tests/test_filters.py b/tests/unit_tests/test_filters.py
index 4e741e60f..a20b129e9 100644
--- a/tests/unit_tests/test_filters.py
+++ b/tests/unit_tests/test_filters.py
@@ -1,4 +1,3 @@
-import math
 import numpy as np
 import openmc
 from pytest import fixture, approx

From 80c86925372bed9a59192b4e66b35d6917996550 Mon Sep 17 00:00:00 2001
From: myerspat <myerspat@umich.edu>
Date: Thu, 25 Aug 2022 11:47:14 -0400
Subject: [PATCH 0888/2654] Removed one of the region vectors and changed HDF5
 output for geometry

---
 include/openmc/cell.h |  2 --
 src/cell.cpp          | 49 +++++++++++++++++++++++--------------------
 src/geometry_aux.cpp  |  2 +-
 src/universe.cpp      |  4 ++--
 4 files changed, 29 insertions(+), 28 deletions(-)

diff --git a/include/openmc/cell.h b/include/openmc/cell.h
index 23cd0130a..fd1883ce5 100644
--- a/include/openmc/cell.h
+++ b/include/openmc/cell.h
@@ -200,8 +200,6 @@ public:
 
   //! Definition of spatial region as Boolean expression of half-spaces
   vector<int32_t> region_;
-  //! Region in infix that may be modified depending on simplicity
-  vector<int32_t> region_infix_;
   bool simple_; //!< Does the region contain only intersections?
 
   //! \brief Neighboring cells in the same universe.
diff --git a/src/cell.cpp b/src/cell.cpp
index 6b4fcafda..4a61eb60e 100644
--- a/src/cell.cpp
+++ b/src/cell.cpp
@@ -205,7 +205,7 @@ void add_precedence(std::vector<int32_t>& infix)
 //! This function uses the shunting-yard algorithm.
 //==============================================================================
 
-vector<int32_t> generate_rpn(int32_t cell_id, vector<int32_t> infix)
+vector<int32_t> generate_postfix(int32_t cell_id, vector<int32_t> infix)
 {
   vector<int32_t> rpn;
   vector<int32_t> stack;
@@ -619,15 +619,14 @@ CSGCell::CSGCell(pugi::xml_node cell_node)
   }
   region_.shrink_to_fit();
 
-  region_infix_ = region_;
   // If this cell is simple, remove all the superfluous operator tokens.
   if (simple_) {
-    for (auto it = region_infix_.begin(); it != region_infix_.end(); it++) {
+    for (auto it = region_.begin(); it != region_.end(); it++) {
       if (*it == OP_INTERSECTION || *it > OP_COMPLEMENT) {
-        region_infix_.erase(it);
+        region_.erase(it);
       }
     }
-    region_infix_.shrink_to_fit();
+    region_.shrink_to_fit();
   }
 
   // Read the translation vector.
@@ -672,7 +671,7 @@ std::pair<double, int32_t> CSGCell::distance(
   double min_dist {INFTY};
   int32_t i_surf {std::numeric_limits<int32_t>::max()};
 
-  for (int32_t token : region_infix_) {
+  for (int32_t token : region_) {
     // Ignore this token if it corresponds to an operator rather than a region.
     if (token >= OP_UNION)
       continue;
@@ -705,19 +704,18 @@ void CSGCell::to_hdf5_inner(hid_t group_id) const
   if (!region_.empty()) {
     std::stringstream region_spec {};
     for (int32_t token : region_) {
-      if (token == OP_LEFT_PAREN) {
-        region_spec << " (";
-      } else if (token == OP_RIGHT_PAREN) {
-        region_spec << " )";
-      } else if (token == OP_COMPLEMENT) {
-        region_spec << " ~";
-      } else if (token == OP_INTERSECTION) {
-      } else if (token == OP_UNION) {
-        region_spec << " |";
-      } else {
+      if (token < OP_UNION) {
         // Note the off-by-one indexing
         auto surf_id = model::surfaces[abs(token) - 1]->id_;
         region_spec << " " << ((token > 0) ? surf_id : -surf_id);
+      } else if (token > OP_COMPLEMENT) {
+        if (token == OP_LEFT_PAREN) {
+          region_spec << " (";
+        } else {
+          region_spec << " )";
+        }
+      } else if (token == OP_UNION) {
+        region_spec << " |";
       }
     }
     write_string(group_id, "region", region_spec.str(), false);
@@ -727,7 +725,7 @@ void CSGCell::to_hdf5_inner(hid_t group_id) const
 BoundingBox CSGCell::bounding_box_simple() const
 {
   BoundingBox bbox;
-  for (int32_t token : region_infix_) {
+  for (int32_t token : region_) {
     bbox &= model::surfaces[abs(token) - 1]->bounding_box(token > 0);
   }
   return bbox;
@@ -813,12 +811,12 @@ void CSGCell::remove_complement_ops(vector<int32_t>& infix)
   }
 }
 
-BoundingBox CSGCell::bounding_box_complex(vector<int32_t> rpn)
+BoundingBox CSGCell::bounding_box_complex(vector<int32_t> postfix)
 {
-  vector<BoundingBox> stack(rpn.size());
+  vector<BoundingBox> stack(postfix.size());
   int i_stack = -1;
 
-  for (auto& token : rpn) {
+  for (auto& token : postfix) {
     if (token == OP_UNION) {
       stack[i_stack - 1] = stack[i_stack - 1] | stack[i_stack];
       i_stack--;
@@ -837,14 +835,19 @@ BoundingBox CSGCell::bounding_box_complex(vector<int32_t> rpn)
 
 BoundingBox CSGCell::bounding_box() const
 {
-  return simple_ ? bounding_box_simple() : bounding_box_complex(region_infix_);
+  if (simple_) {
+    return bounding_box_simple();
+  } else {
+    auto postfix = generate_postfix(this->id_, this->region_);
+    return bounding_box_complex(postfix);
+  }
 }
 
 //==============================================================================
 
 bool CSGCell::contains_simple(Position r, Direction u, int32_t on_surface) const
 {
-  for (int32_t token : region_infix_) {
+  for (int32_t token : region_) {
     // Assume that no tokens are operators. Evaluate the sense of particle with
     // respect to the surface and see if the token matches the sense. If the
     // particle's surface attribute is set and matches the token, that
@@ -872,7 +875,7 @@ bool CSGCell::contains_complex(
   int total_depth = 0;
 
   // For each token
-  for (auto it = region_infix_.begin(); it != region_infix_.end(); it++) {
+  for (auto it = region_.begin(); it != region_.end(); it++) {
     int32_t token = *it;
 
     // If the token is a surface evaluate the sense
diff --git a/src/geometry_aux.cpp b/src/geometry_aux.cpp
index 7648d270a..c3458d469 100644
--- a/src/geometry_aux.cpp
+++ b/src/geometry_aux.cpp
@@ -154,7 +154,7 @@ void partition_universes()
       // Collect the set of surfaces in this universe.
       std::unordered_set<int32_t> surf_inds;
       for (auto i_cell : univ->cells_) {
-        for (auto token : model::cells[i_cell]->region_infix_) {
+        for (auto token : model::cells[i_cell]->region_) {
           if (token < OP_UNION)
             surf_inds.insert(std::abs(token) - 1);
         }
diff --git a/src/universe.cpp b/src/universe.cpp
index 723400ec0..873d03bb7 100644
--- a/src/universe.cpp
+++ b/src/universe.cpp
@@ -98,7 +98,7 @@ UniversePartitioner::UniversePartitioner(const Universe& univ)
   // Find all of the z-planes in this universe.  A set is used here for the
   // O(log(n)) insertions that will ensure entries are not repeated.
   for (auto i_cell : univ.cells_) {
-    for (auto token : model::cells[i_cell]->region_infix_) {
+    for (auto token : model::cells[i_cell]->region_) {
       if (token < OP_UNION) {
         auto i_surf = std::abs(token) - 1;
         const auto* surf = model::surfaces[i_surf].get();
@@ -125,7 +125,7 @@ UniversePartitioner::UniversePartitioner(const Universe& univ)
     // Find the tokens for bounding z-planes.
     int32_t lower_token = 0, upper_token = 0;
     double min_z, max_z;
-    for (auto token : model::cells[i_cell]->region_infix_) {
+    for (auto token : model::cells[i_cell]->region_) {
       if (token < OP_UNION) {
         const auto* surf = model::surfaces[std::abs(token) - 1].get();
         if (const auto* zplane = dynamic_cast<const SurfaceZPlane*>(surf)) {

From bd2bab3f568b7cb70e9556974218dd11d80e93d4 Mon Sep 17 00:00:00 2001
From: James Logan <jlogan03@gmail.com>
Date: Thu, 25 Aug 2022 11:57:36 -0400
Subject: [PATCH 0889/2654] remove explicit else-pass

---
 openmc/universe.py | 2 --
 1 file changed, 2 deletions(-)

diff --git a/openmc/universe.py b/openmc/universe.py
index 768c2ba29..2994540ae 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -368,8 +368,6 @@ class Universe(UniverseBase):
                 width = pixels[0]*px/(params.right - params.left)
                 height = pixels[0]*px/(params.top - params.bottom)
                 fig.set_size_inches(width, height)
-            else:
-                pass
 
             # Plot image and return the axes
             return axes.imshow(img, extent=(x_min, x_max, y_min, y_max), **kwargs)

From cc667cc11a52157bc3228f1753d77111358e8bf6 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Thu, 25 Aug 2022 17:18:45 +0100
Subject: [PATCH 0890/2654] updated error message check

---
 openmc/mesh.py                       | 14 ++++++++------
 tests/unit_tests/test_mesh_to_vtk.py |  7 +++++--
 2 files changed, 13 insertions(+), 8 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 0950d8dba..288d1527c 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -230,14 +230,16 @@ class StructuredMesh(MeshBase):
 
         # check that the data sets are appropriately sized
         for label, dataset in datasets.items():
+            errmsg = (
+                f"The size of the dataset '{label}' ({dataset.size}) "
+                f"should be equal to the number of mesh cells ({self.num_mesh_cells})"
+            )
             if isinstance(dataset, np.ndarray):
-                num_cells = self.dimension[0] * self.dimension[1] * self.dimension[2]
-                if not dataset.size == num_cells:
-                    errmsg = "The size of the dataset '{}' ({}) should be equal to the number of mesh cells ({})"
-                    raise RuntimeError(errmsg.format(label, dataset.size, num_cells))
+                if not dataset.size == self.num_mesh_cells:
+                    raise RuntimeError(errmsg)
             else:
-                if len(dataset) == self.dimension[0] * self.dimension[1] * self.dimension[2]:
-                    raise RuntimeError(errmsg.format(label))
+                if len(dataset) == self.num_mesh_cells:
+                    raise RuntimeError(errmsg)
             cv.check_type('label', label, str)
 
         vtk_grid = vtk.vtkStructuredGrid()
diff --git a/tests/unit_tests/test_mesh_to_vtk.py b/tests/unit_tests/test_mesh_to_vtk.py
index 26a393b41..a6bed7035 100644
--- a/tests/unit_tests/test_mesh_to_vtk.py
+++ b/tests/unit_tests/test_mesh_to_vtk.py
@@ -71,6 +71,9 @@ def test_write_data_to_vtk_size_mismatch(mesh):
     right_size = mesh.num_mesh_cells
     data = np.random.random(right_size + 1)
 
-    expected_error_msg = "The size of the dataset label should be equal to the number of cells"
+    expected_error_msg = (
+        f"The size of the dataset 'label' ({len(data)}) should be equal to "
+        f"the number of mesh cells ({mesh.num_mesh_cells})"
+    )
     with pytest.raises(RuntimeError, match=expected_error_msg):
-        mesh.write_data_to_vtk(filename="out.vtk", datasets={"label": data})
\ No newline at end of file
+        mesh.write_data_to_vtk(filename="out.vtk", datasets={"label": data})

From 922a5fcf5a4d41b12b2b001cb1100225b8687d73 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Fri, 26 Aug 2022 10:19:39 +0100
Subject: [PATCH 0891/2654] used escape chars to match regex

---
 openmc/mesh.py                       |  4 ++--
 tests/unit_tests/test_mesh_to_vtk.py | 11 ++++++++---
 2 files changed, 10 insertions(+), 5 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 288d1527c..1b37a4272 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -231,8 +231,8 @@ class StructuredMesh(MeshBase):
         # check that the data sets are appropriately sized
         for label, dataset in datasets.items():
             errmsg = (
-                f"The size of the dataset '{label}' ({dataset.size}) "
-                f"should be equal to the number of mesh cells ({self.num_mesh_cells})"
+                f"The size of the dataset '{label}' ({dataset.size}) should be"
+                f" equal to the number of mesh cells ({self.num_mesh_cells})"
             )
             if isinstance(dataset, np.ndarray):
                 if not dataset.size == self.num_mesh_cells:
diff --git a/tests/unit_tests/test_mesh_to_vtk.py b/tests/unit_tests/test_mesh_to_vtk.py
index a6bed7035..2c23a5298 100644
--- a/tests/unit_tests/test_mesh_to_vtk.py
+++ b/tests/unit_tests/test_mesh_to_vtk.py
@@ -28,6 +28,7 @@ spherical_mesh.r_grid = np.linspace(1, 2, num=30)
 spherical_mesh.phi_grid = np.linspace(0, np.pi, num=50)
 spherical_mesh.theta_grid = np.linspace(0, np.pi / 2, num=30)
 
+
 @pytest.mark.parametrize("mesh", [cylinder_mesh, regular_mesh, rectilinear_mesh, spherical_mesh])
 def test_write_data_to_vtk(mesh, tmpdir):
     # BUILD
@@ -43,7 +44,7 @@ def test_write_data_to_vtk(mesh, tmpdir):
 
     # read file
     reader = vtk.vtkStructuredGridReader()
-    reader.SetFileName(filename)
+    reader.SetFileName(str(filename))
     reader.Update()
 
     # check name of datasets
@@ -58,6 +59,7 @@ def test_write_data_to_vtk(mesh, tmpdir):
     assert nps.vtk_to_numpy(array1).size == data.size
     assert nps.vtk_to_numpy(array2).size == data.size
 
+
 @pytest.mark.parametrize("mesh", [cylinder_mesh, regular_mesh, rectilinear_mesh, spherical_mesh])
 def test_write_data_to_vtk_size_mismatch(mesh):
     """Checks that an error is raised when the size of the dataset
@@ -71,9 +73,12 @@ def test_write_data_to_vtk_size_mismatch(mesh):
     right_size = mesh.num_mesh_cells
     data = np.random.random(right_size + 1)
 
+    # Error message has \ in to escape characters that are otherwise recognized
+    # by regex. These are needed to make the test string match the error message
+    # string when using the match argument as that uses regular expression
     expected_error_msg = (
-        f"The size of the dataset 'label' ({len(data)}) should be equal to "
-        f"the number of mesh cells ({mesh.num_mesh_cells})"
+        f"The size of the dataset 'label' \({len(data)}\) should be equal to "
+        f"the number of mesh cells \({mesh.num_mesh_cells}\)"
     )
     with pytest.raises(RuntimeError, match=expected_error_msg):
         mesh.write_data_to_vtk(filename="out.vtk", datasets={"label": data})

From a3a28d094ac821fd5df9927b194087e9b223f061 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Fri, 26 Aug 2022 16:22:08 +0100
Subject: [PATCH 0892/2654] changing RunTimeError to ValueError

---
 openmc/mesh.py                       | 6 +++---
 tests/unit_tests/test_mesh_to_vtk.py | 2 +-
 2 files changed, 4 insertions(+), 4 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 1b37a4272..8ac4b1594 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -216,7 +216,7 @@ class StructuredMesh(MeshBase):
 
         Raises
         ------
-        RuntimeError
+        ValueError
             When the size of a dataset doesn't match the number of mesh cells
 
         Returns
@@ -236,10 +236,10 @@ class StructuredMesh(MeshBase):
             )
             if isinstance(dataset, np.ndarray):
                 if not dataset.size == self.num_mesh_cells:
-                    raise RuntimeError(errmsg)
+                    raise ValueError(errmsg)
             else:
                 if len(dataset) == self.num_mesh_cells:
-                    raise RuntimeError(errmsg)
+                    raise ValueError(errmsg)
             cv.check_type('label', label, str)
 
         vtk_grid = vtk.vtkStructuredGrid()
diff --git a/tests/unit_tests/test_mesh_to_vtk.py b/tests/unit_tests/test_mesh_to_vtk.py
index 2c23a5298..d7d5907a2 100644
--- a/tests/unit_tests/test_mesh_to_vtk.py
+++ b/tests/unit_tests/test_mesh_to_vtk.py
@@ -80,5 +80,5 @@ def test_write_data_to_vtk_size_mismatch(mesh):
         f"The size of the dataset 'label' \({len(data)}\) should be equal to "
         f"the number of mesh cells \({mesh.num_mesh_cells}\)"
     )
-    with pytest.raises(RuntimeError, match=expected_error_msg):
+    with pytest.raises(ValueError, match=expected_error_msg):
         mesh.write_data_to_vtk(filename="out.vtk", datasets={"label": data})

From 5cdef2e964d6823faf7ebae0f977d86df4506998 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Fri, 26 Aug 2022 16:30:24 +0100
Subject: [PATCH 0893/2654] added Julian years to Integrator

---
 openmc/deplete/abc.py | 12 +++++++-----
 1 file changed, 7 insertions(+), 5 deletions(-)

diff --git a/openmc/deplete/abc.py b/openmc/deplete/abc.py
index 3e2c37ece..45432218a 100644
--- a/openmc/deplete/abc.py
+++ b/openmc/deplete/abc.py
@@ -12,7 +12,6 @@ from numbers import Real, Integral
 from contextlib import contextmanager
 import os
 from pathlib import Path
-import sys
 import time
 from warnings import warn
 
@@ -36,6 +35,7 @@ __all__ = [
 _SECONDS_PER_MINUTE = 60
 _SECONDS_PER_HOUR = 60*60
 _SECONDS_PER_DAY = 24*60*60
+_SECONDS_PER_JULIAN_YEAR = 365.25*24*60*60
 
 OperatorResult = namedtuple('OperatorResult', ['k', 'rates'])
 OperatorResult.__doc__ = """\
@@ -531,11 +531,11 @@ class Integrator(ABC):
         each interval in :attr:`timesteps`
 
         .. versionadded:: 0.12.1
-    timestep_units : {'s', 'min', 'h', 'd', 'MWd/kg'}
+    timestep_units : {'s', 'min', 'h', 'd', 'a', 'MWd/kg'}
         Units for values specified in the `timesteps` argument. 's' means
-        seconds, 'min' means minutes, 'h' means hours, and 'MWd/kg' indicates
-        that the values are given in burnup (MW-d of energy deposited per
-        kilogram of initial heavy metal).
+        seconds, 'min' means minutes, 'h' means hours, 'a' means Julian years
+        and 'MWd/kg' indicates that the values are given in burnup (MW-d of
+        energy deposited per kilogram of initial heavy metal).
     solver : str or callable, optional
         If a string, must be the name of the solver responsible for
         solving the Bateman equations.  Current options are:
@@ -638,6 +638,8 @@ class Integrator(ABC):
                 seconds.append(timestep*_SECONDS_PER_HOUR)
             elif unit in ('d', 'day'):
                 seconds.append(timestep*_SECONDS_PER_DAY)
+            elif unit in ('a', 'year'):
+                seconds.append(timestep*_SECONDS_PER_JULIAN_YEAR)
             elif unit.lower() == 'mwd/kg':
                 watt_days_per_kg = 1e6*timestep
                 kilograms = 1e-3*operator.heavy_metal

From 090363b6372b32983fa2d4b23c84c3e4d2c83723 Mon Sep 17 00:00:00 2001
From: myerspat <myerspat@umich.edu>
Date: Fri, 26 Aug 2022 12:47:08 -0400
Subject: [PATCH 0894/2654] Fixed error due to applying de morgans laws

---
 include/openmc/cell.h | 2 +-
 src/cell.cpp          | 3 ++-
 2 files changed, 3 insertions(+), 2 deletions(-)

diff --git a/include/openmc/cell.h b/include/openmc/cell.h
index fd1883ce5..817196727 100644
--- a/include/openmc/cell.h
+++ b/include/openmc/cell.h
@@ -244,7 +244,7 @@ protected:
   bool contains_simple(Position r, Direction u, int32_t on_surface) const;
   bool contains_complex(Position r, Direction u, int32_t on_surface) const;
   BoundingBox bounding_box_simple() const;
-  static BoundingBox bounding_box_complex(vector<int32_t> rpn);
+  static BoundingBox bounding_box_complex(vector<int32_t> postfix);
 
   //! Applies DeMorgan's laws to a section of the RPN
   //! \param start Starting point for token modification
diff --git a/src/cell.cpp b/src/cell.cpp
index 4a61eb60e..5c3e06eef 100644
--- a/src/cell.cpp
+++ b/src/cell.cpp
@@ -624,6 +624,7 @@ CSGCell::CSGCell(pugi::xml_node cell_node)
     for (auto it = region_.begin(); it != region_.end(); it++) {
       if (*it == OP_INTERSECTION || *it > OP_COMPLEMENT) {
         region_.erase(it);
+        it--;
       }
     }
     region_.shrink_to_fit();
@@ -807,7 +808,7 @@ void CSGCell::remove_complement_ops(vector<int32_t>& infix)
     // positions in the RPN
     apply_demorgan(it, stop);
     // update iterator position
-    it = std::find(it, infix.end(), OP_COMPLEMENT);
+    it = std::find(infix.begin(), infix.end(), OP_COMPLEMENT);
   }
 }
 

From c0982eb6224a536dde1da175d9b3395443731649 Mon Sep 17 00:00:00 2001
From: shimwell <mail@jshimwell.com>
Date: Sat, 27 Aug 2022 00:12:25 +0100
Subject: [PATCH 0895/2654] format to f strings

---
 openmc/data/data.py | 19 ++++++++-----------
 1 file changed, 8 insertions(+), 11 deletions(-)

diff --git a/openmc/data/data.py b/openmc/data/data.py
index 71b93293e..0c4495ede 100644
--- a/openmc/data/data.py
+++ b/openmc/data/data.py
@@ -228,7 +228,7 @@ def atomic_mass(isotope):
         with open(mass_file, 'r') as ame:
             # Read lines in file starting at line 40
             for line in itertools.islice(ame, 39, None):
-                name = '{}{}'.format(line[20:22].strip(), int(line[16:19]))
+                name = f'{line[20:22].strip()}{int(line[16:19])}'
                 mass = float(line[96:99]) + 1e-6*float(
                     line[100:106] + '.' + line[107:112])
                 _ATOMIC_MASS[name.lower()] = mass
@@ -273,8 +273,7 @@ def atomic_weight(element):
     if weight > 0.:
         return weight
     else:
-        raise ValueError("No naturally-occurring isotopes for element '{}'."
-                         .format(element))
+        raise ValueError(f"No naturally-occurring isotopes for element '{element}'.")
 
 
 def half_life(isotope):
@@ -456,9 +455,8 @@ def gnd_name(Z, A, m=0):
 
     """
     if m > 0:
-        return '{}{}_m{}'.format(ATOMIC_SYMBOL[Z], A, m)
-    else:
-        return '{}{}'.format(ATOMIC_SYMBOL[Z], A)
+        return f'{ATOMIC_SYMBOL[Z]}{A}_m{m}'
+    return f'{ATOMIC_SYMBOL[Z]}{A}'
 
 
 def isotopes(element):
@@ -486,7 +484,7 @@ def isotopes(element):
     if len(element) > 2:
         symbol = ELEMENT_SYMBOL.get(element.lower())
         if symbol is None:
-            raise ValueError('Element name "{}" not recognised'.format(element))
+            raise ValueError(f'Element name "{element}" not recognised')
         element = symbol
 
     # Get the nuclides present in nature
@@ -515,12 +513,11 @@ def zam(name):
     try:
         symbol, A, state = _GND_NAME_RE.match(name).groups()
     except AttributeError:
-        raise ValueError("'{}' does not appear to be a nuclide name in GND "
-                         "format".format(name))
+        raise ValueError(f"'{name}' does not appear to be a nuclide name in "
+                         "GND format")
 
     if symbol not in ATOMIC_NUMBER:
-        raise ValueError("'{}' is not a recognized element symbol"
-                         .format(symbol))
+        raise ValueError(f"'{symbol}' is not a recognized element symbol")
 
     metastable = int(state[2:]) if state else 0
     return (ATOMIC_NUMBER[symbol], int(A), metastable)

From 985b2d26960f4a9765b189ba3832baf1f0f33b3b Mon Sep 17 00:00:00 2001
From: Miriam Kreher <mkreher@Miriams-MBP.lan>
Date: Fri, 26 Aug 2022 21:07:15 -0400
Subject: [PATCH 0896/2654] Removed the option to condense transport cross
 sections instead of diffusion coefficients.

---
 openmc/mgxs/mgxs.py | 8 ++++++--
 1 file changed, 6 insertions(+), 2 deletions(-)

diff --git a/openmc/mgxs/mgxs.py b/openmc/mgxs/mgxs.py
index 6502a5ef2..8760dfc36 100644
--- a/openmc/mgxs/mgxs.py
+++ b/openmc/mgxs/mgxs.py
@@ -3154,6 +3154,8 @@ class DiffusionCoefficient(TransportXS):
                 raise ValueError(msg)
 
             # Switch EnergyoutFilter to EnergyFilter
+            # If 'scatter-1' is not in tallies, it is because the transport correction has
+            # already occurred on this MGXS in another function or in a previous call to this function.
             if 'scatter-1' in self.tallies:
                 p1_tally = self.tallies['scatter-1']
                 old_filt = p1_tally.filters[-2]
@@ -3176,7 +3178,7 @@ class DiffusionCoefficient(TransportXS):
 
         return self._xs_tally
 
-    def get_condensed_xs(self, coarse_groups, condense_diff_coef=True):
+    def get_condensed_xs(self, coarse_groups):
         """Construct an energy-condensed version of this cross section.
 
         Parameters
@@ -3202,7 +3204,9 @@ class DiffusionCoefficient(TransportXS):
         # Clone this MGXS to initialize the condensed version
         condensed_xs = copy.deepcopy(self)
 
-        if condense_diff_coef:
+        # If 'scatter-1' is not in tallies, it is because the transport correction has
+        # already occurred on this MGXS in another function or in a previous call to this function.
+        if 'scatter-1' in self.tallies:
             p1_tally = self.tallies['scatter-1']
             old_filt = p1_tally.filters[-2]
             new_filt = openmc.EnergyFilter(old_filt.values)

From 5f1b05f5faea4d00f0d5d359b2fc868a4f0a3c10 Mon Sep 17 00:00:00 2001
From: shimwell <mail@jshimwell.com>
Date: Mon, 29 Aug 2022 17:01:34 +0100
Subject: [PATCH 0897/2654] added element filter to get_nuclide

---
 openmc/material.py                | 22 ++++++++++++++++++----
 tests/unit_tests/test_material.py | 17 +++++++++++++++++
 2 files changed, 35 insertions(+), 4 deletions(-)

diff --git a/openmc/material.py b/openmc/material.py
index d9d4f241d..ac8e73afe 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -795,16 +795,30 @@ class Material(IDManagerMixin):
 
         return sorted({re.split(r'(\d+)', i)[0] for i in self.get_nuclides()})
 
-    def get_nuclides(self):
-        """Returns all nuclides in the material
+    def get_nuclides(self, element: Optional[str] = None):
+        """Returns a list of all nuclides in the material, if the element
+        argument is specified then just nuclides of that element are returned.
+
+        Parameters
+        ----------
+        element : str
+            Specifies the element to match when searching through the nuclides
 
         Returns
         -------
         nuclides : list of str
             List of nuclide names
-
         """
-        return [x.name for x in self._nuclides]
+
+        if element:
+            matching_nuclides = []
+            for nuclide in self._nuclides:
+                if re.split(r'(\d+)', nuclide.name)[0] == element:
+                    matching_nuclides.append(nuclide.name)
+            return list(set(matching_nuclides))
+
+        else:
+            return list(set([x.name for x in self._nuclides]))
 
     def get_nuclide_densities(self):
         """Returns all nuclides in the material and their densities
diff --git a/tests/unit_tests/test_material.py b/tests/unit_tests/test_material.py
index 8bb881795..8879119a1 100644
--- a/tests/unit_tests/test_material.py
+++ b/tests/unit_tests/test_material.py
@@ -299,6 +299,23 @@ def test_isotropic():
     assert m2.isotropic == ['H1']
 
 
+def test_get_nuclides():
+    mat = openmc.Material()
+
+    mat.add_nuclide('Li6', 1.0)
+    assert mat.get_nuclides() == ['Li6']
+    assert mat.get_nuclides(element='Li') == ['Li6']
+    assert mat.get_nuclides(element='Be') == []
+
+    mat.add_element('Li', 1.0)
+    assert mat.get_nuclides() == ['Li7', 'Li6']
+    assert mat.get_nuclides(element='Be') == []
+
+    mat.add_element('Be', 1.0)
+    assert mat.get_nuclides() == ['Li7', 'Li6', 'Be9']
+    assert mat.get_nuclides(element='Be') == ['Be9']
+
+
 def test_get_elements():
     # test that zero elements exist on creation
     m = openmc.Material()

From e42dfac373d3a8a548fa42619a8e10928a990c6f Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Mon, 29 Aug 2022 11:22:00 -0500
Subject: [PATCH 0898/2654] Update libmesh version in Dockerfile

---
 Dockerfile | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/Dockerfile b/Dockerfile
index d408b9de5..ae59ec089 100644
--- a/Dockerfile
+++ b/Dockerfile
@@ -53,7 +53,7 @@ ENV DAGMC_REPO='https://github.com/svalinn/DAGMC'
 ENV DAGMC_INSTALL_DIR=$HOME/DAGMC/
 
 # LIBMESH variables
-ENV LIBMESH_TAG='v1.6.0'
+ENV LIBMESH_TAG='v1.7.1'
 ENV LIBMESH_REPO='https://github.com/libMesh/libmesh'
 ENV LIBMESH_INSTALL_DIR=$HOME/LIBMESH
 

From 3b5910057da5370dfbf2e53fdc31a28eecb391f3 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Mon, 29 Aug 2022 11:54:23 -0500
Subject: [PATCH 0899/2654] Update libmesh to 1.7.1 in gha-install-libmesh.sh
 for consistency

---
 tools/ci/gha-install-libmesh.sh | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/tools/ci/gha-install-libmesh.sh b/tools/ci/gha-install-libmesh.sh
index d592616ed..cb808ae5b 100755
--- a/tools/ci/gha-install-libmesh.sh
+++ b/tools/ci/gha-install-libmesh.sh
@@ -5,7 +5,7 @@ set -ex
 # libMESH install
 pushd $HOME
 mkdir LIBMESH && cd LIBMESH
-git clone https://github.com/libmesh/libmesh -b v1.7.0 --recurse-submodules
+git clone https://github.com/libmesh/libmesh -b v1.7.1 --recurse-submodules
 mkdir build && cd build
 export METHODS="opt"
 

From b857fbd261f4f04136afee6d80b35d740cbe818c Mon Sep 17 00:00:00 2001
From: shimwell <mail@jshimwell.com>
Date: Mon, 29 Aug 2022 18:10:52 +0100
Subject: [PATCH 0900/2654] appending to list if not in list

---
 openmc/material.py | 13 ++++++++-----
 1 file changed, 8 insertions(+), 5 deletions(-)

diff --git a/openmc/material.py b/openmc/material.py
index ac8e73afe..f137ec0cd 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -810,15 +810,18 @@ class Material(IDManagerMixin):
             List of nuclide names
         """
 
+        matching_nuclides = []
         if element:
-            matching_nuclides = []
             for nuclide in self._nuclides:
                 if re.split(r'(\d+)', nuclide.name)[0] == element:
-                    matching_nuclides.append(nuclide.name)
-            return list(set(matching_nuclides))
-
+                    if nuclide.name not in matching_nuclides:
+                        matching_nuclides.append(nuclide.name)
         else:
-            return list(set([x.name for x in self._nuclides]))
+            for nuclide in self._nuclides:
+                if nuclide.name not in matching_nuclides:
+                    matching_nuclides.append(nuclide.name)
+                        
+        return matching_nuclides
 
     def get_nuclide_densities(self):
         """Returns all nuclides in the material and their densities

From 5a0884e9de34cfcaf5cd16dccfb3f28303d962d5 Mon Sep 17 00:00:00 2001
From: shimwell <mail@jshimwell.com>
Date: Mon, 29 Aug 2022 22:41:07 +0100
Subject: [PATCH 0901/2654] corrected get nuclide tests

---
 tests/unit_tests/test_material.py | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/tests/unit_tests/test_material.py b/tests/unit_tests/test_material.py
index 8879119a1..26ccbc9fe 100644
--- a/tests/unit_tests/test_material.py
+++ b/tests/unit_tests/test_material.py
@@ -308,11 +308,11 @@ def test_get_nuclides():
     assert mat.get_nuclides(element='Be') == []
 
     mat.add_element('Li', 1.0)
-    assert mat.get_nuclides() == ['Li7', 'Li6']
+    assert mat.get_nuclides() == ['Li6', 'Li7']
     assert mat.get_nuclides(element='Be') == []
 
     mat.add_element('Be', 1.0)
-    assert mat.get_nuclides() == ['Li7', 'Li6', 'Be9']
+    assert mat.get_nuclides() == ['Li6', 'Li7', 'Be9']
     assert mat.get_nuclides(element='Be') == ['Be9']
 
 

From 9e80a73369b31c32c8a81791b2853ca2476ba883 Mon Sep 17 00:00:00 2001
From: James Logan <jlogan03@gmail.com>
Date: Tue, 30 Aug 2022 10:20:35 -0400
Subject: [PATCH 0902/2654] Update openmc/universe.py

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/universe.py | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/openmc/universe.py b/openmc/universe.py
index 2994540ae..cdb72bf6e 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -302,7 +302,8 @@ class Universe(UniverseBase):
             Seed for the random number generator
         openmc_exec : str
             Path to OpenMC executable.
-        axes : matplotlib.Axes to draw to
+        axes : matplotlib.Axes
+            Axes to draw to
 
             .. versionadded:: 0.13.1
         **kwargs

From bff8700c8b52dfbcf94f0aa65dc12cb53e56808d Mon Sep 17 00:00:00 2001
From: Patrick Myers <90068356+myerspat@users.noreply.github.com>
Date: Tue, 30 Aug 2022 15:45:31 -0500
Subject: [PATCH 0903/2654] Simple wording and comment changes

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 src/cell.cpp | 10 +++++-----
 1 file changed, 5 insertions(+), 5 deletions(-)

diff --git a/src/cell.cpp b/src/cell.cpp
index 5c3e06eef..9076b1136 100644
--- a/src/cell.cpp
+++ b/src/cell.cpp
@@ -109,10 +109,10 @@ vector<int32_t> tokenize(const std::string region_spec)
 
 //==============================================================================
 //! Add precedence for infix regions so intersections have higher
-//! precedence than unions using parenthesis.
+//! precedence than unions using parentheses.
 //==============================================================================
 
-std::vector<int32_t>::iterator add_parenthesis(
+std::vector<int32_t>::iterator add_parentheses(
   std::vector<int32_t>::iterator start, std::vector<int32_t>& infix)
 {
   int32_t start_token = *start;
@@ -125,7 +125,7 @@ std::vector<int32_t>::iterator add_parenthesis(
   start++;
 
   // Initialize return iterator
-  std::vector<int32_t>::iterator return_iterator = infix.begin();
+  auto return_iterator = infix.begin();
 
   // Add right parenthesis
   // While the start iterator is within the bounds of infix
@@ -134,7 +134,7 @@ std::vector<int32_t>::iterator add_parenthesis(
 
     // If the current token is an operator and is different than the start token
     if (*start >= OP_UNION && *start != start_token) {
-      // Skip wraped regions but save iterator position to check precedence and
+      // Skip wrapped regions but save iterator position to check precedence and
       // add right parenthesis depending on the precedence of the original token
       // when a right parenthesis is encountered of the opposite token
       if (*start == OP_LEFT_PAREN) {
@@ -190,7 +190,7 @@ void add_precedence(std::vector<int32_t>& infix)
       if (current_op == 0) {
         current_op = token;
       } else if (token != current_op) {
-        it = add_parenthesis(it, infix);
+        it = add_parentheses(it, infix);
         current_op = 0;
       }
     } else if (token > OP_COMPLEMENT) {

From 02254cc78787c3e21e3498c937a8fbdb2e7bc045 Mon Sep 17 00:00:00 2001
From: myerspat <myerspat@umich.edu>
Date: Tue, 30 Aug 2022 17:00:59 -0400
Subject: [PATCH 0904/2654] Changed wording and rearranging

---
 src/cell.cpp | 25 ++++++++++---------------
 1 file changed, 10 insertions(+), 15 deletions(-)

diff --git a/src/cell.cpp b/src/cell.cpp
index 9076b1136..bb524f0b3 100644
--- a/src/cell.cpp
+++ b/src/cell.cpp
@@ -135,8 +135,10 @@ std::vector<int32_t>::iterator add_parentheses(
     // If the current token is an operator and is different than the start token
     if (*start >= OP_UNION && *start != start_token) {
       // Skip wrapped regions but save iterator position to check precedence and
-      // add right parenthesis depending on the precedence of the original token
-      // when a right parenthesis is encountered of the opposite token
+      // add right parenthesis, right parenthesis position depends on the
+      // operator, when the operator is a union then do not include the operator
+      // in the region, when the operator is an intersection then include the
+      // operato and next surface
       if (*start == OP_LEFT_PAREN) {
         return_iterator = start;
         int depth = 1;
@@ -150,14 +152,9 @@ std::vector<int32_t>::iterator add_parentheses(
             }
           }
         } while (depth > 0);
-      } else if (start_token == OP_UNION) {
-        start = infix.insert(start - 1, OP_RIGHT_PAREN);
-        if (return_iterator == infix.begin()) {
-          return_iterator = start - 1;
-        }
-        return return_iterator;
       } else {
-        start = infix.insert(start, OP_RIGHT_PAREN);
+        start = infix.insert(
+          start_token == OP_UNION ? start - 1 : start, OP_RIGHT_PAREN);
         if (return_iterator == infix.begin()) {
           return_iterator = start - 1;
         }
@@ -181,19 +178,17 @@ void add_precedence(std::vector<int32_t>& infix)
   for (auto it = infix.begin(); it != infix.end(); it++) {
     int32_t token = *it;
 
-    // If the token is a union another operator has not been found set the
-    // current operator to union
-    // If the current operator is a union and the token is an intersection
-    // assert precedence
-    // If the token is a parenthesis reset the current operator
     if (token == OP_UNION || token == OP_INTERSECTION) {
       if (current_op == 0) {
+        // Set the current operator if is hasn't been set
         current_op = token;
       } else if (token != current_op) {
+        // If the current operator doesn't match the token, add parenthesis to assert precedence
         it = add_parentheses(it, infix);
         current_op = 0;
       }
     } else if (token > OP_COMPLEMENT) {
+      // If the token is a parenthesis reset the current operator
       current_op = 0;
     }
   }
@@ -898,7 +893,7 @@ bool CSGCell::contains_complex(
       if (total_depth == 0) {
         return in_cell;
       }
-      
+
       total_depth--;
 
       // While the iterator is within the bounds of the vector

From 588e7bbab0d1f5fcb07aa6aea63e75ebd671f209 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 31 Aug 2022 12:37:06 -0500
Subject: [PATCH 0905/2654] Add XML roundtrip test for openmc.Source

---
 tests/unit_tests/test_source.py | 43 ++++++++++++++++++++++++++++++---
 1 file changed, 40 insertions(+), 3 deletions(-)

diff --git a/tests/unit_tests/test_source.py b/tests/unit_tests/test_source.py
index dbcf49efc..76dcbcdc8 100644
--- a/tests/unit_tests/test_source.py
+++ b/tests/unit_tests/test_source.py
@@ -1,6 +1,10 @@
+from math import pi
+
 import openmc
 import openmc.stats
-from math import pi
+import numpy as np
+from pytest import approx
+
 
 def test_source():
     space = openmc.stats.Point()
@@ -39,8 +43,8 @@ def test_spherical_uniform():
                                                         phis,
                                                         origin)
 
-    assert isinstance(sph_indep_function, openmc.stats.SphericalIndependent) 
-    
+    assert isinstance(sph_indep_function, openmc.stats.SphericalIndependent)
+
 
 def test_source_file():
     filename = 'source.h5'
@@ -59,3 +63,36 @@ def test_source_dlopen():
 
     elem = src.to_xml_element()
     assert 'library' in elem.attrib
+
+
+def test_source_xml_roundtrip():
+    # Create a source and write to an XML element
+    space = openmc.stats.Box([-5., -5., -5.], [5., 5., 5.])
+    energy = openmc.stats.Discrete([1.0e6, 2.0e6, 5.0e6], [0.3, 0.5, 0.2])
+    angle = openmc.stats.PolarAzimuthal(
+        mu=openmc.stats.Uniform(0., 1.),
+        phi=openmc.stats.Uniform(0., 2*pi),
+        reference_uvw=(0., 1., 0.)
+    )
+    src = openmc.Source(
+        space=space, angle=angle, energy=energy,
+        particle='photon', strength=100.0
+    )
+    elem = src.to_xml_element()
+
+    # Read from XML element and make sure data is preserved
+    new_src = openmc.Source.from_xml_element(elem)
+    assert isinstance(new_src.space, openmc.stats.Box)
+    np.testing.assert_allclose(new_src.space.lower_left, src.space.lower_left)
+    np.testing.assert_allclose(new_src.space.upper_right, src.space.upper_right)
+    assert isinstance(new_src.energy, openmc.stats.Discrete)
+    np.testing.assert_allclose(new_src.energy.x, src.energy.x)
+    np.testing.assert_allclose(new_src.energy.p, src.energy.p)
+    assert isinstance(new_src.angle, openmc.stats.PolarAzimuthal)
+    assert new_src.angle.mu.a == src.angle.mu.a
+    assert new_src.angle.mu.b == src.angle.mu.b
+    assert new_src.angle.phi.a == src.angle.phi.a
+    assert new_src.angle.phi.b == src.angle.phi.b
+    np.testing.assert_allclose(new_src.angle.reference_uvw, src.angle.reference_uvw)
+    assert new_src.particle == src.particle
+    assert new_src.strength == approx(src.strength)

From eb1dc015e5026f3083e7e0ad1e313a26cccd1a19 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 30 Aug 2022 21:15:58 -0500
Subject: [PATCH 0906/2654] Fix reading of reference_uvw during from_xml

---
 openmc/stats/multivariate.py | 12 ++++++------
 1 file changed, 6 insertions(+), 6 deletions(-)

diff --git a/openmc/stats/multivariate.py b/openmc/stats/multivariate.py
index f34bf0d1f..8bb319aa4 100644
--- a/openmc/stats/multivariate.py
+++ b/openmc/stats/multivariate.py
@@ -148,9 +148,9 @@ class PolarAzimuthal(UnitSphere):
 
         """
         mu_phi = cls()
-        params = get_text(elem, 'parameters')
-        if params is not None:
-            mu_phi.reference_uvw = [float(x) for x in params.split()]
+        uvw = get_text(elem, 'reference_uvw')
+        if uvw is not None:
+            mu_phi.reference_uvw = [float(x) for x in uvw.split()]
         mu_phi.mu = Univariate.from_xml_element(elem.find('mu'))
         mu_phi.phi = Univariate.from_xml_element(elem.find('phi'))
         return mu_phi
@@ -242,9 +242,9 @@ class Monodirectional(UnitSphere):
 
         """
         monodirectional = cls()
-        params = get_text(elem, 'parameters')
-        if params is not None:
-            monodirectional.reference_uvw = [float(x) for x in params.split()]
+        uvw = get_text(elem, 'reference_uvw')
+        if uvw is not None:
+            monodirectional.reference_uvw = [float(x) for x in uvw.split()]
         return monodirectional
 
 

From 0214b220367a6c58fc950ec2d241e40797b27f8a Mon Sep 17 00:00:00 2001
From: yardasol <oyardas2@illinois.edu>
Date: Thu, 1 Sep 2022 11:52:21 -0500
Subject: [PATCH 0907/2654] fix errorneous behavior when adding metastable
 nuclides via add_components

---
 openmc/material.py                | 3 ++-
 tests/unit_tests/test_material.py | 1 +
 2 files changed, 3 insertions(+), 1 deletion(-)

diff --git a/openmc/material.py b/openmc/material.py
index d9d4f241d..4a988c597 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -438,7 +438,8 @@ class Material(IDManagerMixin):
             params['percent_type'] = percent_type
 
             ## check if nuclide
-            if str.isdigit(component[-1]):
+            if str.isdigit(component[-1]) or (component[-1] == 'm'
+                                              and str.isdigit(component[-2])):
                 self.add_nuclide(component, **params)
             else: # is element
                 kwargs = params
diff --git a/tests/unit_tests/test_material.py b/tests/unit_tests/test_material.py
index 8bb881795..dde755231 100644
--- a/tests/unit_tests/test_material.py
+++ b/tests/unit_tests/test_material.py
@@ -32,6 +32,7 @@ def test_add_components():
                   'O16': 1.0,
                   'Zr': 1.0,
                   'O': 1.0,
+                  'Ag110m': 1.0,
                   'U': {'percent': 1.0,
                         'enrichment': 4.5},
                   'Li': {'percent': 1.0,

From 85c5c791d6db687bd0deb9813a15d98808b931bd Mon Sep 17 00:00:00 2001
From: Olek <45364492+yardasol@users.noreply.github.com>
Date: Thu, 1 Sep 2022 14:33:24 -0500
Subject: [PATCH 0908/2654] Cleanup flow control for detecting nuclides

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 tests/unit_tests/test_material.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/tests/unit_tests/test_material.py b/tests/unit_tests/test_material.py
index dde755231..8e04ca192 100644
--- a/tests/unit_tests/test_material.py
+++ b/tests/unit_tests/test_material.py
@@ -32,7 +32,7 @@ def test_add_components():
                   'O16': 1.0,
                   'Zr': 1.0,
                   'O': 1.0,
-                  'Ag110m': 1.0,
+                  'Ag110_m1': 1.0,
                   'U': {'percent': 1.0,
                         'enrichment': 4.5},
                   'Li': {'percent': 1.0,

From 2d01241b533b961ac2c9c4951855b6c2dbeed26a Mon Sep 17 00:00:00 2001
From: Olek <45364492+yardasol@users.noreply.github.com>
Date: Thu, 1 Sep 2022 14:33:44 -0500
Subject: [PATCH 0909/2654] Cleanup flow control for detecting nuclides

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/material.py | 3 +--
 1 file changed, 1 insertion(+), 2 deletions(-)

diff --git a/openmc/material.py b/openmc/material.py
index 4a988c597..de4940a47 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -438,8 +438,7 @@ class Material(IDManagerMixin):
             params['percent_type'] = percent_type
 
             ## check if nuclide
-            if str.isdigit(component[-1]) or (component[-1] == 'm'
-                                              and str.isdigit(component[-2])):
+            if not str.isalpha():
                 self.add_nuclide(component, **params)
             else: # is element
                 kwargs = params

From 8650621f797f42d5482a4de4694273f907f344cf Mon Sep 17 00:00:00 2001
From: myerspat <myerspat@umich.edu>
Date: Thu, 1 Sep 2022 17:01:01 -0400
Subject: [PATCH 0910/2654] Revereted hdf5 function back to original

---
 src/cell.cpp | 19 ++++++++++---------
 1 file changed, 10 insertions(+), 9 deletions(-)

diff --git a/src/cell.cpp b/src/cell.cpp
index bb524f0b3..4ff35498c 100644
--- a/src/cell.cpp
+++ b/src/cell.cpp
@@ -700,18 +700,19 @@ void CSGCell::to_hdf5_inner(hid_t group_id) const
   if (!region_.empty()) {
     std::stringstream region_spec {};
     for (int32_t token : region_) {
-      if (token < OP_UNION) {
+      if (token == OP_LEFT_PAREN) {
+        region_spec << " (";
+      } else if (token == OP_RIGHT_PAREN) {
+        region_spec << " )";
+      } else if (token == OP_COMPLEMENT) {
+        region_spec << " ~";
+      } else if (token == OP_INTERSECTION) {
+      } else if (token == OP_UNION) {
+        region_spec << " |";
+      } else {
         // Note the off-by-one indexing
         auto surf_id = model::surfaces[abs(token) - 1]->id_;
         region_spec << " " << ((token > 0) ? surf_id : -surf_id);
-      } else if (token > OP_COMPLEMENT) {
-        if (token == OP_LEFT_PAREN) {
-          region_spec << " (";
-        } else {
-          region_spec << " )";
-        }
-      } else if (token == OP_UNION) {
-        region_spec << " |";
       }
     }
     write_string(group_id, "region", region_spec.str(), false);

From 026d172255e64e45fc7e6ca37d23557ac455f469 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 28 Jul 2022 10:04:23 -0500
Subject: [PATCH 0911/2654] Adding interpolation property to
 EnergyFunctionFilter.

---
 openmc/filter.py | 41 ++++++++++++++++++++++++++++++++++-------
 1 file changed, 34 insertions(+), 7 deletions(-)

diff --git a/openmc/filter.py b/openmc/filter.py
index 7874a775b..0d8458be5 100644
--- a/openmc/filter.py
+++ b/openmc/filter.py
@@ -1884,6 +1884,9 @@ class EnergyFunctionFilter(Filter):
         A grid of energy values in [eV]
     y : iterable of Real
         A grid of interpolant values in [eV]
+    interpolation : str
+        Used to indicate the type of interpolation used.
+        One of ('linear-linear', 'log-log')
     id : int
         Unique identifier for the filter
     num_bins : Integral
@@ -1895,6 +1898,7 @@ class EnergyFunctionFilter(Filter):
         self.energy = energy
         self.y = y
         self.id = filter_id
+        self.interpolation = 'linear-linear'
 
     def __eq__(self, other):
         if type(self) is not type(other):
@@ -1949,10 +1953,14 @@ class EnergyFunctionFilter(Filter):
                              + group['type'][()].decode() + " instead")
 
         energy = group['energy'][()]
-        y = group['y'][()]
+        y = group['y'][()]            
         filter_id = int(group.name.split('/')[-1].lstrip('filter '))
 
-        return cls(energy, y, filter_id=filter_id)
+        out = cls(energy, y, filter_id=filter_id)
+        if 'interpolation' in group:
+            out.interpolation = group['interpolation'][()]
+
+        return out
 
     @classmethod
     def from_tabulated1d(cls, tab1d):
@@ -1974,10 +1982,13 @@ class EnergyFunctionFilter(Filter):
         if tab1d.n_regions > 1:
             raise ValueError('Only Tabulated1Ds with a single interpolation '
                              'region are supported')
-        if tab1d.interpolation[0] != 2:
-            raise ValueError('Only linear-linear Tabulated1Ds are supported')
+        if tab1d.interpolation[0] not in (2, 5):
+            raise ValueError('Only linear-linear or log-log Tabulated1Ds are supported')
+        out = cls(tab1d.x, tab1d.y)
+        if tab1d.interpolation[0] == 5:
+            out.interpolation = 'log-log'
 
-        return cls(tab1d.x, tab1d.y)
+        return out
 
     @property
     def energy(self):
@@ -1987,6 +1998,10 @@ class EnergyFunctionFilter(Filter):
     def y(self):
         return self._y
 
+    @property
+    def interpolation(self):
+        return self._interpolation
+
     @property
     def bins(self):
         raise AttributeError('EnergyFunctionFilters have no bins.')
@@ -2021,6 +2036,12 @@ class EnergyFunctionFilter(Filter):
     def bins(self, bins):
         raise RuntimeError('EnergyFunctionFilters have no bins.')
 
+    @interpolation.setter
+    def interpolation(self, val):
+        cv.check_type('interpolation', val, str)
+        cv.check_value('interpolation', val, ('linear-linear', 'log-log'))
+        self._interpolation = val
+
     def to_xml_element(self):
         """Return XML Element representing the Filter.
 
@@ -2040,14 +2061,20 @@ class EnergyFunctionFilter(Filter):
         subelement = ET.SubElement(element, 'y')
         subelement.text = ' '.join(str(y) for y in self.y)
 
+        subelement = ET.SubElement(element, 'interpolation')
+        subelement.text = self.interpolation
+
         return element
 
     @classmethod
     def from_xml_element(cls, elem, **kwargs):
         filter_id = int(elem.get('id'))
         energy = [float(x) for x in get_text(elem, 'energy').split()]
-        y = [float(x) for x in get_text(elem, 'y').split()]
-        return cls(energy, y, filter_id=filter_id)
+        y = [float(x) for x in get_text(elem, 'y').split()]     
+        out = cls(energy, y, filter_id=filter_id)
+        if elem.find('interpolation') is not None:
+            out.interpolation = elem.find('interpolation')
+        return out 
 
     def can_merge(self, other):
         return False

From 8f26df7f5a91545903331916981c9d51a45880e4 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 28 Jul 2022 10:04:57 -0500
Subject: [PATCH 0912/2654] Adding interpolation value check and updating test
 inputs

---
 tests/regression_tests/filter_energyfun/inputs_true.dat | 1 +
 tests/regression_tests/filter_energyfun/test.py         | 2 ++
 2 files changed, 3 insertions(+)

diff --git a/tests/regression_tests/filter_energyfun/inputs_true.dat b/tests/regression_tests/filter_energyfun/inputs_true.dat
index 0f506f3f5..15de0f027 100644
--- a/tests/regression_tests/filter_energyfun/inputs_true.dat
+++ b/tests/regression_tests/filter_energyfun/inputs_true.dat
@@ -22,6 +22,7 @@
   <filter id="1" type="energyfunction">
     <energy>1e-05 0.369 1000.0 100000.0 600000.0 1000000.0 2000000.0 4000000.0 30000000.0</energy>
     <y>0.1 0.1 0.1333 0.158 0.18467 0.25618 0.4297 0.48 0.48</y>
+    <interpolation>linear-linear</interpolation>
   </filter>
   <tally id="1">
     <nuclides>Am241</nuclides>
diff --git a/tests/regression_tests/filter_energyfun/test.py b/tests/regression_tests/filter_energyfun/test.py
index f61f05d78..c76b525d7 100644
--- a/tests/regression_tests/filter_energyfun/test.py
+++ b/tests/regression_tests/filter_energyfun/test.py
@@ -28,6 +28,8 @@ def model():
     # Make an EnergyFunctionFilter directly from the x and y lists.
     filt1 = openmc.EnergyFunctionFilter(x, y)
 
+    assert filt1.interpolation == 'linear-linear'
+
     # Also make a filter with the .from_tabulated1d constructor.  Make sure
     # the filters are identical.
     tab1d = openmc.data.Tabulated1D(x, y)

From 0d551cbb21f76894ea70f9e712f81d09f4b3c7f2 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 28 Jul 2022 11:14:30 -0500
Subject: [PATCH 0913/2654] Adding support for log-log interpolation on the C++
 side

---
 include/openmc/tallies/filter_energyfunc.h |  2 ++
 openmc/filter.py                           |  5 +++--
 src/tallies/filter_energyfunc.cpp          | 26 ++++++++++++++++++----
 3 files changed, 27 insertions(+), 6 deletions(-)

diff --git a/include/openmc/tallies/filter_energyfunc.h b/include/openmc/tallies/filter_energyfunc.h
index c066dfa17..f650976ef 100644
--- a/include/openmc/tallies/filter_energyfunc.h
+++ b/include/openmc/tallies/filter_energyfunc.h
@@ -1,6 +1,7 @@
 #ifndef OPENMC_TALLIES_FILTER_ENERGYFUNC_H
 #define OPENMC_TALLIES_FILTER_ENERGYFUNC_H
 
+#include "openmc/constants.h"
 #include "openmc/tallies/filter.h"
 #include "openmc/vector.h"
 
@@ -39,6 +40,7 @@ public:
 
   const vector<double>& energy() const { return energy_; }
   const vector<double>& y() const { return y_; }
+  Interpolation interpolation_;
   void set_data(gsl::span<const double> energy, gsl::span<const double> y);
 
 private:
diff --git a/openmc/filter.py b/openmc/filter.py
index 0d8458be5..f44ac99f8 100644
--- a/openmc/filter.py
+++ b/openmc/filter.py
@@ -1957,8 +1957,9 @@ class EnergyFunctionFilter(Filter):
         filter_id = int(group.name.split('/')[-1].lstrip('filter '))
 
         out = cls(energy, y, filter_id=filter_id)
-        if 'interpolation' in group:
-            out.interpolation = group['interpolation'][()]
+        if 'interpolation' in group.attrs:
+            out.interpolation =  \
+                openmc.data.INTERPOLATION_SCHEME[group.attrs['interpolation']]
 
         return out
 
diff --git a/src/tallies/filter_energyfunc.cpp b/src/tallies/filter_energyfunc.cpp
index fd595e332..2fcca7110 100644
--- a/src/tallies/filter_energyfunc.cpp
+++ b/src/tallies/filter_energyfunc.cpp
@@ -22,9 +22,15 @@ void EnergyFunctionFilter::from_xml(pugi::xml_node node)
 
   if (!check_for_node(node, "y"))
     fatal_error("y values not specified for EnergyFunction filter.");
-
+  
   auto y = get_node_array<double>(node, "y");
 
+  // use linear-linear interpolation by default
+  interpolation_ = Interpolation::lin_lin;
+  if (check_for_node(node, "interpolation")) {
+    std::string interpolation = get_node_value(node, "interpolation");
+  }
+
   this->set_data(energy, y);
 }
 
@@ -58,12 +64,23 @@ void EnergyFunctionFilter::get_all_bins(
     // Search for the incoming energy bin.
     auto i = lower_bound_index(energy_.begin(), energy_.end(), p.E_last());
 
-    // Compute the interpolation factor between the nearest bins.
-    double f = (p.E_last() - energy_[i]) / (energy_[i + 1] - energy_[i]);
+    double f, w;
+    switch (interpolation_) {
+      case Interpolation::lin_lin:
+        f = (p.E_last() - energy_[i]) / (energy_[i + 1] - energy_[i]);
+        w = (1 - f) * y_[i] + f * y_[i + 1];
+        break;
+      case Interpolation::log_log:
+        f = log(p.E_last() / energy_[i]) / log(energy_[i + 1] / energy_[i]);
+        w = y_[i] * exp(f * log(y_[i + 1] / y_[i]));
+        break;
+      default:
+        fatal_error(fmt::format("Invalid interpolation scheme found on EnergyFunctionFilter {}", id()));
+    }
 
     // Interpolate on the lin-lin grid.
     match.bins_.push_back(0);
-    match.weights_.push_back((1 - f) * y_[i] + f * y_[i + 1]);
+    match.weights_.push_back(w);
   }
 }
 
@@ -72,6 +89,7 @@ void EnergyFunctionFilter::to_statepoint(hid_t filter_group) const
   Filter::to_statepoint(filter_group);
   write_dataset(filter_group, "energy", energy_);
   write_dataset(filter_group, "y", y_);
+  write_attr_int(filter_group, "interpolation", interpolation_);
 }
 
 std::string EnergyFunctionFilter::text_label(int bin) const

From 0c1b1875b7df89f4bb9ae8eee53d116b11816d3b Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 28 Jul 2022 11:31:12 -0500
Subject: [PATCH 0914/2654] Adding a quick test for the interpolation value
 checking

---
 src/tallies/filter_energyfunc.cpp             | 23 ++++++++++---------
 .../regression_tests/filter_energyfun/test.py |  3 +++
 2 files changed, 15 insertions(+), 11 deletions(-)

diff --git a/src/tallies/filter_energyfunc.cpp b/src/tallies/filter_energyfunc.cpp
index 2fcca7110..d783366bc 100644
--- a/src/tallies/filter_energyfunc.cpp
+++ b/src/tallies/filter_energyfunc.cpp
@@ -22,7 +22,7 @@ void EnergyFunctionFilter::from_xml(pugi::xml_node node)
 
   if (!check_for_node(node, "y"))
     fatal_error("y values not specified for EnergyFunction filter.");
-  
+
   auto y = get_node_array<double>(node, "y");
 
   // use linear-linear interpolation by default
@@ -66,16 +66,17 @@ void EnergyFunctionFilter::get_all_bins(
 
     double f, w;
     switch (interpolation_) {
-      case Interpolation::lin_lin:
-        f = (p.E_last() - energy_[i]) / (energy_[i + 1] - energy_[i]);
-        w = (1 - f) * y_[i] + f * y_[i + 1];
-        break;
-      case Interpolation::log_log:
-        f = log(p.E_last() / energy_[i]) / log(energy_[i + 1] / energy_[i]);
-        w = y_[i] * exp(f * log(y_[i + 1] / y_[i]));
-        break;
-      default:
-        fatal_error(fmt::format("Invalid interpolation scheme found on EnergyFunctionFilter {}", id()));
+    case Interpolation::lin_lin:
+      f = (p.E_last() - energy_[i]) / (energy_[i + 1] - energy_[i]);
+      w = (1 - f) * y_[i] + f * y_[i + 1];
+      break;
+    case Interpolation::log_log:
+      f = log(p.E_last() / energy_[i]) / log(energy_[i + 1] / energy_[i]);
+      w = y_[i] * exp(f * log(y_[i + 1] / y_[i]));
+      break;
+    default:
+      fatal_error(fmt::format(
+        "Invalid interpolation scheme found on EnergyFunctionFilter {}", id()));
     }
 
     // Interpolate on the lin-lin grid.
diff --git a/tests/regression_tests/filter_energyfun/test.py b/tests/regression_tests/filter_energyfun/test.py
index c76b525d7..ba5a9b16f 100644
--- a/tests/regression_tests/filter_energyfun/test.py
+++ b/tests/regression_tests/filter_energyfun/test.py
@@ -30,6 +30,9 @@ def model():
 
     assert filt1.interpolation == 'linear-linear'
 
+    with pytest.raises(ValueError):
+        filt1.interpolation = '5th order polynomial'
+    
     # Also make a filter with the .from_tabulated1d constructor.  Make sure
     # the filters are identical.
     tab1d = openmc.data.Tabulated1D(x, y)

From a0de07bf707957f615cd163ce1ea96de433e052b Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 28 Jul 2022 18:23:51 -0500
Subject: [PATCH 0915/2654] Correcting hdf5 function signature

---
 src/tallies/filter_energyfunc.cpp | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/src/tallies/filter_energyfunc.cpp b/src/tallies/filter_energyfunc.cpp
index d783366bc..37c1c3178 100644
--- a/src/tallies/filter_energyfunc.cpp
+++ b/src/tallies/filter_energyfunc.cpp
@@ -90,7 +90,7 @@ void EnergyFunctionFilter::to_statepoint(hid_t filter_group) const
   Filter::to_statepoint(filter_group);
   write_dataset(filter_group, "energy", energy_);
   write_dataset(filter_group, "y", y_);
-  write_attr_int(filter_group, "interpolation", interpolation_);
+  write_attribute<int>(filter_group, "interpolation", static_cast<int>(interpolation_));
 }
 
 std::string EnergyFunctionFilter::text_label(int bin) const

From b4cf42b092eb456a7ad7b6480939a4c0bcb21b94 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 29 Jul 2022 23:37:34 -0500
Subject: [PATCH 0916/2654] Adding entry to statepoint documentation.

---
 docs/source/io_formats/statepoint.rst | 3 +++
 src/tallies/filter_energyfunc.cpp     | 3 ++-
 2 files changed, 5 insertions(+), 1 deletion(-)

diff --git a/docs/source/io_formats/statepoint.rst b/docs/source/io_formats/statepoint.rst
index c1598f2c3..2332ebf21 100644
--- a/docs/source/io_formats/statepoint.rst
+++ b/docs/source/io_formats/statepoint.rst
@@ -108,6 +108,9 @@ The current version of the statepoint file format is 17.0.
              interpolation. Only used for 'energyfunction' filters.
            - **y** (*double[]*) -- Interpolant values for energyfunction
              interpolation. Only used for 'energyfunction' filters.
+           - **interpolation** (*int*) -- Interpolation type. One of 
+             (1 - linear-linear or 2 - log-log). Only used for 'energyfunction' 
+             filters.
 
 **/tallies/derivatives/derivative <id>/**
 
diff --git a/src/tallies/filter_energyfunc.cpp b/src/tallies/filter_energyfunc.cpp
index 37c1c3178..819b5d13e 100644
--- a/src/tallies/filter_energyfunc.cpp
+++ b/src/tallies/filter_energyfunc.cpp
@@ -90,7 +90,8 @@ void EnergyFunctionFilter::to_statepoint(hid_t filter_group) const
   Filter::to_statepoint(filter_group);
   write_dataset(filter_group, "energy", energy_);
   write_dataset(filter_group, "y", y_);
-  write_attribute<int>(filter_group, "interpolation", static_cast<int>(interpolation_));
+  write_attribute<int>(
+    filter_group, "interpolation", static_cast<int>(interpolation_));
 }
 
 std::string EnergyFunctionFilter::text_label(int bin) const

From d88648634e0d9f84ab2642fc77ee20053ef33f65 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 29 Jul 2022 23:49:58 -0500
Subject: [PATCH 0917/2654] Adding check for round-trip of spec for eff

---
 .../regression_tests/filter_energyfun/test.py  | 18 ++++++++++++++++++
 1 file changed, 18 insertions(+)

diff --git a/tests/regression_tests/filter_energyfun/test.py b/tests/regression_tests/filter_energyfun/test.py
index ba5a9b16f..b5ab1387c 100644
--- a/tests/regression_tests/filter_energyfun/test.py
+++ b/tests/regression_tests/filter_energyfun/test.py
@@ -61,6 +61,24 @@ class FilterEnergyFunHarness(PyAPITestHarness):
         # Output the tally in a Pandas DataFrame.
         return br_tally.get_pandas_dataframe().to_string() + '\n'
 
+    def _compare_results(self):
+        super()._compare_results()
+
+        # Read the statepoint file.
+        sp = openmc.StatePoint(self._sp_name)
+
+        # check that values are round-tripped correctly from
+        # the statepoint file
+        sp_tally = sp.get_tally(id=2)
+        sp_filt = sp_tally.find_filter(openmc.EnergyFunctionFilter)
+
+        model_tally = self._model.tallies[1]
+        model_filt = model_tally.find_filter(openmc.EnergyFunctionFilter)
+
+        assert sp_filt.interpolation == model_filt.interpolation
+        assert all(sp_filt.energy == model_filt.energy)
+        assert all(sp_filt.y == model_filt.y)
+
 
 def test_filter_energyfun(model):
     harness = FilterEnergyFunHarness('statepoint.5.h5', model)

From 2ef49a9c9b66736cc69eb4a7a7ff31d7cd9b4407 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Sat, 30 Jul 2022 00:18:10 -0500
Subject: [PATCH 0918/2654] Updating tests for eff

---
 openmc/filter.py                                      |  6 ++++--
 .../regression_tests/filter_energyfun/inputs_true.dat | 10 ++++++++++
 .../filter_energyfun/results_true.dat                 |  2 +-
 tests/regression_tests/filter_energyfun/test.py       | 11 +++++++++--
 4 files changed, 24 insertions(+), 5 deletions(-)

diff --git a/openmc/filter.py b/openmc/filter.py
index f44ac99f8..f5268ad81 100644
--- a/openmc/filter.py
+++ b/openmc/filter.py
@@ -1894,11 +1894,11 @@ class EnergyFunctionFilter(Filter):
 
     """
 
-    def __init__(self, energy, y, filter_id=None):
+    def __init__(self, energy, y, interpolation='linear-linear', filter_id=None):
         self.energy = energy
         self.y = y
         self.id = filter_id
-        self.interpolation = 'linear-linear'
+        self.interpolation = interpolation
 
     def __eq__(self, other):
         if type(self) is not type(other):
@@ -1936,12 +1936,14 @@ class EnergyFunctionFilter(Filter):
         string = type(self).__name__ + '\n'
         string += '{: <16}=\t{}\n'.format('\tEnergy', self.energy)
         string += '{: <16}=\t{}\n'.format('\tInterpolant', self.y)
+        string += '{: <16}=\t{}\n'.format('\tInterpolation', self.interpolation)
         return hash(string)
 
     def __repr__(self):
         string = type(self).__name__ + '\n'
         string += '{: <16}=\t{}\n'.format('\tEnergy', self.energy)
         string += '{: <16}=\t{}\n'.format('\tInterpolant', self.y)
+        string += '{: <16}=\t{}\n'.format('\tInterpolation', self.interpolation)
         string += '{: <16}=\t{}\n'.format('\tID', self.id)
         return string
 
diff --git a/tests/regression_tests/filter_energyfun/inputs_true.dat b/tests/regression_tests/filter_energyfun/inputs_true.dat
index 15de0f027..35d15d61c 100644
--- a/tests/regression_tests/filter_energyfun/inputs_true.dat
+++ b/tests/regression_tests/filter_energyfun/inputs_true.dat
@@ -24,6 +24,11 @@
     <y>0.1 0.1 0.1333 0.158 0.18467 0.25618 0.4297 0.48 0.48</y>
     <interpolation>linear-linear</interpolation>
   </filter>
+  <filter id="3" type="energyfunction">
+    <energy>1e-05 0.369 1000.0 100000.0 600000.0 1000000.0 2000000.0 4000000.0 30000000.0</energy>
+    <y>0.1 0.1 0.1333 0.158 0.18467 0.25618 0.4297 0.48 0.48</y>
+    <interpolation>log-log</interpolation>
+  </filter>
   <tally id="1">
     <nuclides>Am241</nuclides>
     <scores>(n,gamma)</scores>
@@ -33,4 +38,9 @@
     <nuclides>Am241</nuclides>
     <scores>(n,gamma)</scores>
   </tally>
+  <tally id="3">
+    <filters>3</filters>
+    <nuclides>Am241</nuclides>
+    <scores>(n,gamma)</scores>
+  </tally>
 </tallies>
diff --git a/tests/regression_tests/filter_energyfun/results_true.dat b/tests/regression_tests/filter_energyfun/results_true.dat
index a1fda93a8..a75b3fd4f 100644
--- a/tests/regression_tests/filter_energyfun/results_true.dat
+++ b/tests/regression_tests/filter_energyfun/results_true.dat
@@ -1,2 +1,2 @@
    energyfunction nuclide                    score     mean  std. dev.
-0  d2effa26cb3cf2   Am241  ((n,gamma) / (n,gamma)) 1.74e-01   6.83e-03
+0  448ee8dfd19c4f   Am241  ((n,gamma) / (n,gamma)) 1.74e-01   6.83e-03
diff --git a/tests/regression_tests/filter_energyfun/test.py b/tests/regression_tests/filter_energyfun/test.py
index b5ab1387c..cb658b902 100644
--- a/tests/regression_tests/filter_energyfun/test.py
+++ b/tests/regression_tests/filter_energyfun/test.py
@@ -39,14 +39,21 @@ def model():
     filt2 = openmc.EnergyFunctionFilter.from_tabulated1d(tab1d)
     assert filt1 == filt2, 'Error with the .from_tabulated1d constructor'
 
+    filt3 = openmc.EnergyFunctionFilter(x, y)
+    filt3.interpolation = 'log-log'
+    print(filt3)
+
     # Make tallies
-    tallies = [openmc.Tally(), openmc.Tally()]
+    tallies = [openmc.Tally(), openmc.Tally(), openmc.Tally()]
     for t in tallies:
         t.scores = ['(n,gamma)']
         t.nuclides = ['Am241']
     tallies[1].filters = [filt1]
+    tallies[2].filters = [filt3]
     model.tallies.extend(tallies)
 
+
+
     return model
 
 
@@ -75,7 +82,7 @@ class FilterEnergyFunHarness(PyAPITestHarness):
         model_tally = self._model.tallies[1]
         model_filt = model_tally.find_filter(openmc.EnergyFunctionFilter)
 
-        assert sp_filt.interpolation == model_filt.interpolation
+        assert sp_filt.interpolation == 'linear-linear'
         assert all(sp_filt.energy == model_filt.energy)
         assert all(sp_filt.y == model_filt.y)
 

From c09f539cd5bd87ab3201c495a9c96552a0e5fe68 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Sat, 30 Jul 2022 00:34:37 -0500
Subject: [PATCH 0919/2654] Updating check to log-log

---
 openmc/filter.py                                |  4 ++--
 src/tallies/filter_energyfunc.cpp               | 12 +++++++++++-
 tests/regression_tests/filter_energyfun/test.py | 10 ++++------
 3 files changed, 17 insertions(+), 9 deletions(-)

diff --git a/openmc/filter.py b/openmc/filter.py
index f5268ad81..432ea1599 100644
--- a/openmc/filter.py
+++ b/openmc/filter.py
@@ -1959,9 +1959,9 @@ class EnergyFunctionFilter(Filter):
         filter_id = int(group.name.split('/')[-1].lstrip('filter '))
 
         out = cls(energy, y, filter_id=filter_id)
-        if 'interpolation' in group.attrs:
+        if 'interpolation' in group:
             out.interpolation =  \
-                openmc.data.INTERPOLATION_SCHEME[group.attrs['interpolation']]
+                openmc.data.INTERPOLATION_SCHEME[group['interpolation'][()]]
 
         return out
 
diff --git a/src/tallies/filter_energyfunc.cpp b/src/tallies/filter_energyfunc.cpp
index 819b5d13e..fb76fb215 100644
--- a/src/tallies/filter_energyfunc.cpp
+++ b/src/tallies/filter_energyfunc.cpp
@@ -29,6 +29,16 @@ void EnergyFunctionFilter::from_xml(pugi::xml_node node)
   interpolation_ = Interpolation::lin_lin;
   if (check_for_node(node, "interpolation")) {
     std::string interpolation = get_node_value(node, "interpolation");
+    if (interpolation == "linear-linear") {
+      interpolation_ = Interpolation::lin_lin;
+    } else if (interpolation == "log-log") {
+      interpolation_ = Interpolation::log_log;
+    } else {
+      fatal_error(fmt::format(
+        "Invalid interpolation type '{}' specified on EnergyFunctionFilter {}. "
+        "Must be 'linear-linear' or 'log-log'.",
+        interpolation, id()));
+    }
   }
 
   this->set_data(energy, y);
@@ -90,7 +100,7 @@ void EnergyFunctionFilter::to_statepoint(hid_t filter_group) const
   Filter::to_statepoint(filter_group);
   write_dataset(filter_group, "energy", energy_);
   write_dataset(filter_group, "y", y_);
-  write_attribute<int>(
+  write_dataset(
     filter_group, "interpolation", static_cast<int>(interpolation_));
 }
 
diff --git a/tests/regression_tests/filter_energyfun/test.py b/tests/regression_tests/filter_energyfun/test.py
index cb658b902..e0a191ce8 100644
--- a/tests/regression_tests/filter_energyfun/test.py
+++ b/tests/regression_tests/filter_energyfun/test.py
@@ -52,8 +52,6 @@ def model():
     tallies[2].filters = [filt3]
     model.tallies.extend(tallies)
 
-
-
     return model
 
 
@@ -74,15 +72,15 @@ class FilterEnergyFunHarness(PyAPITestHarness):
         # Read the statepoint file.
         sp = openmc.StatePoint(self._sp_name)
 
-        # check that values are round-tripped correctly from
+        # check that information is round-tripped correctly from
         # the statepoint file
-        sp_tally = sp.get_tally(id=2)
+        sp_tally = sp.get_tally(id=3)
         sp_filt = sp_tally.find_filter(openmc.EnergyFunctionFilter)
 
-        model_tally = self._model.tallies[1]
+        model_tally = self._model.tallies[2]
         model_filt = model_tally.find_filter(openmc.EnergyFunctionFilter)
 
-        assert sp_filt.interpolation == 'linear-linear'
+        assert sp_filt.interpolation == 'log-log'
         assert all(sp_filt.energy == model_filt.energy)
         assert all(sp_filt.y == model_filt.y)
 

From aeca1173e7f9b4a51c774ecfbd52f13050f41983 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Sat, 30 Jul 2022 00:43:20 -0500
Subject: [PATCH 0920/2654] Expanding on eff checks for log-log case.

---
 .../regression_tests/filter_energyfun/test.py | 35 ++++++++++++++-----
 1 file changed, 26 insertions(+), 9 deletions(-)

diff --git a/tests/regression_tests/filter_energyfun/test.py b/tests/regression_tests/filter_energyfun/test.py
index e0a191ce8..9e8189f21 100644
--- a/tests/regression_tests/filter_energyfun/test.py
+++ b/tests/regression_tests/filter_energyfun/test.py
@@ -72,17 +72,34 @@ class FilterEnergyFunHarness(PyAPITestHarness):
         # Read the statepoint file.
         sp = openmc.StatePoint(self._sp_name)
 
-        # check that information is round-tripped correctly from
-        # the statepoint file
-        sp_tally = sp.get_tally(id=3)
-        sp_filt = sp_tally.find_filter(openmc.EnergyFunctionFilter)
+        # statepoint file round-trip checks
+        
+        # linear-linear interpolation tally
+        sp_lin_lin_tally = sp.get_tally(id=2)
+        sp_lin_lin_filt = sp_lin_lin_tally.find_filter(openmc.EnergyFunctionFilter)
 
-        model_tally = self._model.tallies[2]
-        model_filt = model_tally.find_filter(openmc.EnergyFunctionFilter)
+        model_lin_lin_tally = self._model.tallies[1]
+        model_lin_lin_filt = model_lin_lin_tally.find_filter(openmc.EnergyFunctionFilter)
 
-        assert sp_filt.interpolation == 'log-log'
-        assert all(sp_filt.energy == model_filt.energy)
-        assert all(sp_filt.y == model_filt.y)
+        assert sp_lin_lin_filt.interpolation == 'linear-linear'
+        assert all(sp_lin_lin_filt.energy == model_lin_lin_filt.energy)
+        assert all(sp_lin_lin_filt.y == model_lin_lin_filt.y)
+
+        # log-log interpolation tally
+        sp_log_log_tally = sp.get_tally(id=3)
+        sp_log_log_filt = sp_log_log_tally.find_filter(openmc.EnergyFunctionFilter)
+
+        model_log_log_tally = self._model.tallies[2]
+        model_log_log_filt = model_log_log_tally.find_filter(openmc.EnergyFunctionFilter)
+
+        assert sp_log_log_filt.interpolation == 'log-log'
+        assert all(sp_log_log_filt.energy == model_log_log_filt.energy)
+        assert all(sp_log_log_filt.y == model_log_log_filt.y)
+
+
+        # because the values of y are monotonically increasing,
+        # we expect the log-log tally to have a higher value
+        assert all(sp_lin_lin_tally.mean < sp_log_log_tally.mean)
 
 
 def test_filter_energyfun(model):

From 7ea116c89fce2a63c853b82021483f14cdb228e4 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Sat, 30 Jul 2022 00:51:52 -0500
Subject: [PATCH 0921/2654] Adding log-lg tally output and updating results.

---
 tests/regression_tests/filter_energyfun/results_true.dat | 2 ++
 tests/regression_tests/filter_energyfun/test.py          | 9 +++++++--
 2 files changed, 9 insertions(+), 2 deletions(-)

diff --git a/tests/regression_tests/filter_energyfun/results_true.dat b/tests/regression_tests/filter_energyfun/results_true.dat
index a75b3fd4f..4fedf2a0d 100644
--- a/tests/regression_tests/filter_energyfun/results_true.dat
+++ b/tests/regression_tests/filter_energyfun/results_true.dat
@@ -1,2 +1,4 @@
    energyfunction nuclide                    score     mean  std. dev.
 0  448ee8dfd19c4f   Am241  ((n,gamma) / (n,gamma)) 1.74e-01   6.83e-03
+   energyfunction nuclide      score     mean  std. dev.
+0  37e006ae6b2e74   Am241  (n,gamma) 8.16e-02   2.24e-03
diff --git a/tests/regression_tests/filter_energyfun/test.py b/tests/regression_tests/filter_energyfun/test.py
index 9e8189f21..93eed3327 100644
--- a/tests/regression_tests/filter_energyfun/test.py
+++ b/tests/regression_tests/filter_energyfun/test.py
@@ -60,11 +60,17 @@ class FilterEnergyFunHarness(PyAPITestHarness):
         # Read the statepoint file.
         sp = openmc.StatePoint(self._sp_name)
 
+        dataframes_string = ""
         # Use tally arithmetic to compute the branching ratio.
         br_tally = sp.tallies[2] / sp.tallies[1]
+        dataframes_string += br_tally.get_pandas_dataframe().to_string() + '\n'
+
+        # Write out the log-log interpolation as well
+        log_tally = sp.tallies[3]
+        dataframes_string += log_tally.get_pandas_dataframe().to_string() + '\n'
 
         # Output the tally in a Pandas DataFrame.
-        return br_tally.get_pandas_dataframe().to_string() + '\n'
+        return dataframes_string
 
     def _compare_results(self):
         super()._compare_results()
@@ -96,7 +102,6 @@ class FilterEnergyFunHarness(PyAPITestHarness):
         assert all(sp_log_log_filt.energy == model_log_log_filt.energy)
         assert all(sp_log_log_filt.y == model_log_log_filt.y)
 
-
         # because the values of y are monotonically increasing,
         # we expect the log-log tally to have a higher value
         assert all(sp_lin_lin_tally.mean < sp_log_log_tally.mean)

From 66ff5b873de7095ef9d9704aca0f46dd8ad7d823 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Sun, 31 Jul 2022 00:51:34 -0500
Subject: [PATCH 0922/2654] Adding missing docstring

---
 openmc/filter.py | 5 ++++-
 1 file changed, 4 insertions(+), 1 deletion(-)

diff --git a/openmc/filter.py b/openmc/filter.py
index 432ea1599..989f5d762 100644
--- a/openmc/filter.py
+++ b/openmc/filter.py
@@ -1875,6 +1875,9 @@ class EnergyFunctionFilter(Filter):
         A grid of energy values in [eV]
     y : iterable of Real
         A grid of interpolant values in [eV]
+    interpolation : str
+        The type of interpolation to be used.
+        One of ('linear-linear', 'log-log')
     filter_id : int
         Unique identifier for the filter
 
@@ -1885,7 +1888,7 @@ class EnergyFunctionFilter(Filter):
     y : iterable of Real
         A grid of interpolant values in [eV]
     interpolation : str
-        Used to indicate the type of interpolation used.
+        The type of interpolation to be used.
         One of ('linear-linear', 'log-log')
     id : int
         Unique identifier for the filter

From bdf73abb06fc211ee10d5fc49946f7502f47ddb0 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Sun, 31 Jul 2022 01:05:42 -0500
Subject: [PATCH 0923/2654] Some cleanup

---
 docs/source/io_formats/statepoint.rst           | 4 ++--
 src/tallies/filter_energyfunc.cpp               | 2 +-
 tests/regression_tests/filter_energyfun/test.py | 1 -
 3 files changed, 3 insertions(+), 4 deletions(-)

diff --git a/docs/source/io_formats/statepoint.rst b/docs/source/io_formats/statepoint.rst
index 2332ebf21..71025d1e6 100644
--- a/docs/source/io_formats/statepoint.rst
+++ b/docs/source/io_formats/statepoint.rst
@@ -108,8 +108,8 @@ The current version of the statepoint file format is 17.0.
              interpolation. Only used for 'energyfunction' filters.
            - **y** (*double[]*) -- Interpolant values for energyfunction
              interpolation. Only used for 'energyfunction' filters.
-           - **interpolation** (*int*) -- Interpolation type. One of 
-             (1 - linear-linear or 2 - log-log). Only used for 'energyfunction' 
+           - **interpolation** (*int*) -- Interpolation type. Either 
+             1 (linear-linear) or 2 (log-log). Only used for 'energyfunction' 
              filters.
 
 **/tallies/derivatives/derivative <id>/**
diff --git a/src/tallies/filter_energyfunc.cpp b/src/tallies/filter_energyfunc.cpp
index fb76fb215..b0a42d099 100644
--- a/src/tallies/filter_energyfunc.cpp
+++ b/src/tallies/filter_energyfunc.cpp
@@ -25,7 +25,7 @@ void EnergyFunctionFilter::from_xml(pugi::xml_node node)
 
   auto y = get_node_array<double>(node, "y");
 
-  // use linear-linear interpolation by default
+  // default to linear-linear interpolation
   interpolation_ = Interpolation::lin_lin;
   if (check_for_node(node, "interpolation")) {
     std::string interpolation = get_node_value(node, "interpolation");
diff --git a/tests/regression_tests/filter_energyfun/test.py b/tests/regression_tests/filter_energyfun/test.py
index 93eed3327..b09f0e5ec 100644
--- a/tests/regression_tests/filter_energyfun/test.py
+++ b/tests/regression_tests/filter_energyfun/test.py
@@ -41,7 +41,6 @@ def model():
 
     filt3 = openmc.EnergyFunctionFilter(x, y)
     filt3.interpolation = 'log-log'
-    print(filt3)
 
     # Make tallies
     tallies = [openmc.Tally(), openmc.Tally(), openmc.Tally()]

From d78a9b188594a262bb84cb758fd8f13f75887966 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Mon, 1 Aug 2022 17:34:39 -0500
Subject: [PATCH 0924/2654] Adding new interpolation entry.

---
 include/openmc/constants.h | 3 ++-
 openmc/data/function.py    | 2 +-
 2 files changed, 3 insertions(+), 2 deletions(-)

diff --git a/include/openmc/constants.h b/include/openmc/constants.h
index a7362ea9e..9c9a5f9b3 100644
--- a/include/openmc/constants.h
+++ b/include/openmc/constants.h
@@ -318,7 +318,8 @@ enum class Interpolation {
   lin_lin = 2,
   lin_log = 3,
   log_lin = 4,
-  log_log = 5
+  log_log = 5,
+  cubic = 6
 };
 
 enum class RunMode {
diff --git a/openmc/data/function.py b/openmc/data/function.py
index b0390d19c..f03319eed 100644
--- a/openmc/data/function.py
+++ b/openmc/data/function.py
@@ -13,7 +13,7 @@ from openmc.mixin import EqualityMixin
 from .data import EV_PER_MEV
 
 INTERPOLATION_SCHEME = {1: 'histogram', 2: 'linear-linear', 3: 'linear-log',
-                        4: 'log-linear', 5: 'log-log'}
+                        4: 'log-linear', 5: 'log-log', 6 : 'cubic'}
 
 
 def sum_functions(funcs):

From 4ba9acd459391a1d9806d112480ce47489b49fab Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Mon, 1 Aug 2022 18:50:49 -0500
Subject: [PATCH 0925/2654] Adding test results for additional interpolation
 types

---
 docs/source/io_formats/statepoint.rst         |  7 +-
 include/openmc/interpolate.h                  | 65 +++++++++++++++++++
 openmc/filter.py                              | 11 ++--
 src/material.cpp                              |  4 +-
 src/physics.cpp                               | 13 ++--
 src/tallies/filter_energyfunc.cpp             | 24 +++++--
 .../filter_energyfun/inputs_true.dat          | 20 ++++++
 .../filter_energyfun/results_true.dat         |  4 ++
 .../regression_tests/filter_energyfun/test.py | 35 +++++++---
 9 files changed, 148 insertions(+), 35 deletions(-)
 create mode 100644 include/openmc/interpolate.h

diff --git a/docs/source/io_formats/statepoint.rst b/docs/source/io_formats/statepoint.rst
index 71025d1e6..09a531ecd 100644
--- a/docs/source/io_formats/statepoint.rst
+++ b/docs/source/io_formats/statepoint.rst
@@ -80,7 +80,7 @@ The current version of the statepoint file format is 17.0.
              dimension.
            - **Unstructured Mesh Only:**
               - **filename** (*char[]*) -- Name of the mesh file.
-              - **library** (*char[]*) -- Mesh library used to represent the 
+              - **library** (*char[]*) -- Mesh library used to represent the
                                           mesh ("moab" or "libmesh").
               - **length_multiplier** (*double*) Scaling factor applied to the mesh.
               - **volumes** (*double[]*) -- Volume of each mesh cell.
@@ -108,9 +108,8 @@ The current version of the statepoint file format is 17.0.
              interpolation. Only used for 'energyfunction' filters.
            - **y** (*double[]*) -- Interpolant values for energyfunction
              interpolation. Only used for 'energyfunction' filters.
-           - **interpolation** (*int*) -- Interpolation type. Either 
-             1 (linear-linear) or 2 (log-log). Only used for 'energyfunction' 
-             filters.
+           - **interpolation** (*int*) -- Interpolation type. Only used for
+             'energyfunction' filters.
 
 **/tallies/derivatives/derivative <id>/**
 
diff --git a/include/openmc/interpolate.h b/include/openmc/interpolate.h
new file mode 100644
index 000000000..b88ab2f2e
--- /dev/null
+++ b/include/openmc/interpolate.h
@@ -0,0 +1,65 @@
+
+#ifndef OPENMC_INTERPOLATE_H
+#define OPENMC_INTERPOLATE_H
+
+#include <cmath>
+#include <vector>
+
+#include "openmc/search.h"
+
+namespace openmc {
+
+inline double interpolate_lin_lin(
+  double x0, double x1, double y0, double y1, double x)
+{
+  return y0 + (x - x0) / (x1 - x0) * (y1 - y0);
+}
+
+inline double interpolate_lin_log(
+  double x0, double x1, double y0, double y1, double x)
+{
+  return y0 + log(x / x0) / log(x1 / x0) * (y1 - y0);
+}
+
+inline double interpolate_log_lin(
+  double x0, double x1, double y0, double y1, double x)
+{
+  return y0 * exp((x - x0) / (x1 - x0) * log(y1 / y0));
+}
+
+inline double interpolate_log_log(
+  double x0, double x1, double y0, double y1, double x)
+{
+  double f = log(x / x0) / log(x1 / x0);
+  return y0 * exp(f * log(y1 / y0));
+}
+
+inline double interpolate(const std::vector<double>& xs,
+  const std::vector<double>& ys, int idx, double x,
+  Interpolation i = Interpolation::lin_lin)
+{
+  switch (i) {
+  case Interpolation::lin_lin:
+    return interpolate_lin_lin(xs[idx], xs[idx + 1], ys[idx], ys[idx + 1], x);
+  case Interpolation::log_log:
+    return interpolate_log_log(xs[idx], xs[idx + 1], ys[idx], ys[idx + 1], x);
+  case Interpolation::lin_log:
+    return interpolate_lin_log(xs[idx], xs[idx + 1], ys[idx], ys[idx + 1], x);
+  case Interpolation::log_lin:
+    return interpolate_log_lin(xs[idx], xs[idx + 1], ys[idx], ys[idx + 1], x);
+  default:
+    fatal_error("Unsupported interpolation");
+  }
+}
+
+inline double interpolate(const std::vector<double>& xs,
+  const std::vector<double>& ys, double x,
+  Interpolation i = Interpolation::lin_lin)
+{
+  int idx = lower_bound_index(xs.begin(), xs.end(), x);
+  return interpolate(xs, ys, idx, x, i);
+}
+
+} // namespace openmc
+
+#endif
\ No newline at end of file
diff --git a/openmc/filter.py b/openmc/filter.py
index 989f5d762..858238bcf 100644
--- a/openmc/filter.py
+++ b/openmc/filter.py
@@ -12,6 +12,7 @@ import pandas as pd
 import openmc
 import openmc.checkvalue as cv
 from .cell import Cell
+from .data.function import INTERPOLATION_SCHEME
 from .material import Material
 from .mixin import IDManagerMixin
 from .surface import Surface
@@ -1877,7 +1878,6 @@ class EnergyFunctionFilter(Filter):
         A grid of interpolant values in [eV]
     interpolation : str
         The type of interpolation to be used.
-        One of ('linear-linear', 'log-log')
     filter_id : int
         Unique identifier for the filter
 
@@ -1889,7 +1889,6 @@ class EnergyFunctionFilter(Filter):
         A grid of interpolant values in [eV]
     interpolation : str
         The type of interpolation to be used.
-        One of ('linear-linear', 'log-log')
     id : int
         Unique identifier for the filter
     num_bins : Integral
@@ -1958,7 +1957,7 @@ class EnergyFunctionFilter(Filter):
                              + group['type'][()].decode() + " instead")
 
         energy = group['energy'][()]
-        y = group['y'][()]            
+        y = group['y'][()]
         filter_id = int(group.name.split('/')[-1].lstrip('filter '))
 
         out = cls(energy, y, filter_id=filter_id)
@@ -2045,7 +2044,7 @@ class EnergyFunctionFilter(Filter):
     @interpolation.setter
     def interpolation(self, val):
         cv.check_type('interpolation', val, str)
-        cv.check_value('interpolation', val, ('linear-linear', 'log-log'))
+        cv.check_value('interpolation', val, INTERPOLATION_SCHEME.values())
         self._interpolation = val
 
     def to_xml_element(self):
@@ -2076,11 +2075,11 @@ class EnergyFunctionFilter(Filter):
     def from_xml_element(cls, elem, **kwargs):
         filter_id = int(elem.get('id'))
         energy = [float(x) for x in get_text(elem, 'energy').split()]
-        y = [float(x) for x in get_text(elem, 'y').split()]     
+        y = [float(x) for x in get_text(elem, 'y').split()]
         out = cls(energy, y, filter_id=filter_id)
         if elem.find('interpolation') is not None:
             out.interpolation = elem.find('interpolation')
-        return out 
+        return out
 
     def can_merge(self, other):
         return False
diff --git a/src/material.cpp b/src/material.cpp
index 30dfa5ed5..8c75b079d 100644
--- a/src/material.cpp
+++ b/src/material.cpp
@@ -734,8 +734,8 @@ void Material::init_bremsstrahlung()
       // Loop over photon energies
       double c = 0.0;
       for (int i = 0; i < j; ++i) {
-        // Integrate the CDF from the PDF using the trapezoidal rule in log-log
-        // space
+        // Integra  te the CDF from the PDF using the trapezoidal rule in
+        // log-log space
         double w_l = std::log(data::ttb_e_grid(i));
         double w_r = std::log(data::ttb_e_grid(i + 1));
         double x_l = std::log(ttb->pdf(j, i));
diff --git a/src/physics.cpp b/src/physics.cpp
index bcdcf7ecf..5e9afa090 100644
--- a/src/physics.cpp
+++ b/src/physics.cpp
@@ -7,6 +7,7 @@
 #include "openmc/eigenvalue.h"
 #include "openmc/endf.h"
 #include "openmc/error.h"
+#include "openmc/interpolate.h"
 #include "openmc/material.h"
 #include "openmc/math_functions.h"
 #include "openmc/message_passing.h"
@@ -883,15 +884,9 @@ Direction sample_target_velocity(const Nuclide& nuc, double E, Direction u,
 
     if (sampling_method == ResScatMethod::dbrc) {
       // interpolate xs since we're not exactly at the energy indices
-      double xs_low = nuc.elastic_0K_[i_E_low];
-      double m = (nuc.elastic_0K_[i_E_low + 1] - xs_low) /
-                 (nuc.energy_0K_[i_E_low + 1] - nuc.energy_0K_[i_E_low]);
-      xs_low += m * (E_low - nuc.energy_0K_[i_E_low]);
-      double xs_up = nuc.elastic_0K_[i_E_up];
-      m = (nuc.elastic_0K_[i_E_up + 1] - xs_up) /
-          (nuc.energy_0K_[i_E_up + 1] - nuc.energy_0K_[i_E_up]);
-      xs_up += m * (E_up - nuc.energy_0K_[i_E_up]);
-
+      double xs_low =
+        interpolate(nuc.energy_0K_, nuc.elastic_0K_, i_E_low, E_low);
+      double xs_up = interpolate(nuc.energy_0K_, nuc.elastic_0K_, i_E_up, E_up);
       // get max 0K xs value over range of practical relative energies
       double xs_max = *std::max_element(
         &nuc.elastic_0K_[i_E_low + 1], &nuc.elastic_0K_[i_E_up + 1]);
diff --git a/src/tallies/filter_energyfunc.cpp b/src/tallies/filter_energyfunc.cpp
index b0a42d099..f883975a3 100644
--- a/src/tallies/filter_energyfunc.cpp
+++ b/src/tallies/filter_energyfunc.cpp
@@ -3,6 +3,7 @@
 #include <fmt/core.h>
 
 #include "openmc/error.h"
+#include "openmc/interpolate.h"
 #include "openmc/search.h"
 #include "openmc/settings.h"
 #include "openmc/xml_interface.h"
@@ -31,12 +32,15 @@ void EnergyFunctionFilter::from_xml(pugi::xml_node node)
     std::string interpolation = get_node_value(node, "interpolation");
     if (interpolation == "linear-linear") {
       interpolation_ = Interpolation::lin_lin;
+    } else if (interpolation == "linear-log") {
+      interpolation_ = Interpolation::lin_log;
+    } else if (interpolation == "log-linear") {
+      interpolation_ = Interpolation::log_lin;
     } else if (interpolation == "log-log") {
       interpolation_ = Interpolation::log_log;
     } else {
       fatal_error(fmt::format(
-        "Invalid interpolation type '{}' specified on EnergyFunctionFilter {}. "
-        "Must be 'linear-linear' or 'log-log'.",
+        "Found invalid interpolation type '{}' on EnergyFunctionFilter {}.",
         interpolation, id()));
     }
   }
@@ -77,12 +81,20 @@ void EnergyFunctionFilter::get_all_bins(
     double f, w;
     switch (interpolation_) {
     case Interpolation::lin_lin:
-      f = (p.E_last() - energy_[i]) / (energy_[i + 1] - energy_[i]);
-      w = (1 - f) * y_[i] + f * y_[i + 1];
+      w = interpolate_lin_lin(
+        energy_[i], energy_[i + 1], y_[i], y_[i + 1], p.E_last());
+      break;
+    case Interpolation::lin_log:
+      w = interpolate_lin_log(
+        energy_[i], energy_[i + 1], y_[i], y_[i + 1], p.E_last());
+      break;
+    case Interpolation::log_lin:
+      w = interpolate_log_lin(
+        energy_[i], energy_[i + 1], y_[i], y_[i + 1], p.E_last());
       break;
     case Interpolation::log_log:
-      f = log(p.E_last() / energy_[i]) / log(energy_[i + 1] / energy_[i]);
-      w = y_[i] * exp(f * log(y_[i + 1] / y_[i]));
+      w = interpolate_log_log(
+        energy_[i], energy_[i + 1], y_[i], y_[i + 1], p.E_last());
       break;
     default:
       fatal_error(fmt::format(
diff --git a/tests/regression_tests/filter_energyfun/inputs_true.dat b/tests/regression_tests/filter_energyfun/inputs_true.dat
index 35d15d61c..8c3db3518 100644
--- a/tests/regression_tests/filter_energyfun/inputs_true.dat
+++ b/tests/regression_tests/filter_energyfun/inputs_true.dat
@@ -29,6 +29,16 @@
     <y>0.1 0.1 0.1333 0.158 0.18467 0.25618 0.4297 0.48 0.48</y>
     <interpolation>log-log</interpolation>
   </filter>
+  <filter id="4" type="energyfunction">
+    <energy>1e-05 0.369 1000.0 100000.0 600000.0 1000000.0 2000000.0 4000000.0 30000000.0</energy>
+    <y>0.1 0.1 0.1333 0.158 0.18467 0.25618 0.4297 0.48 0.48</y>
+    <interpolation>linear-log</interpolation>
+  </filter>
+  <filter id="5" type="energyfunction">
+    <energy>1e-05 0.369 1000.0 100000.0 600000.0 1000000.0 2000000.0 4000000.0 30000000.0</energy>
+    <y>0.1 0.1 0.1333 0.158 0.18467 0.25618 0.4297 0.48 0.48</y>
+    <interpolation>log-linear</interpolation>
+  </filter>
   <tally id="1">
     <nuclides>Am241</nuclides>
     <scores>(n,gamma)</scores>
@@ -43,4 +53,14 @@
     <nuclides>Am241</nuclides>
     <scores>(n,gamma)</scores>
   </tally>
+  <tally id="4">
+    <filters>4</filters>
+    <nuclides>Am241</nuclides>
+    <scores>(n,gamma)</scores>
+  </tally>
+  <tally id="5">
+    <filters>5</filters>
+    <nuclides>Am241</nuclides>
+    <scores>(n,gamma)</scores>
+  </tally>
 </tallies>
diff --git a/tests/regression_tests/filter_energyfun/results_true.dat b/tests/regression_tests/filter_energyfun/results_true.dat
index 4fedf2a0d..c0b59680e 100644
--- a/tests/regression_tests/filter_energyfun/results_true.dat
+++ b/tests/regression_tests/filter_energyfun/results_true.dat
@@ -2,3 +2,7 @@
 0  448ee8dfd19c4f   Am241  ((n,gamma) / (n,gamma)) 1.74e-01   6.83e-03
    energyfunction nuclide      score     mean  std. dev.
 0  37e006ae6b2e74   Am241  (n,gamma) 8.16e-02   2.24e-03
+   energyfunction nuclide      score     mean  std. dev.
+0  b4e2ac84068d2d   Am241  (n,gamma) 8.19e-02   2.25e-03
+   energyfunction nuclide      score     mean  std. dev.
+0  dacf88242512ea   Am241  (n,gamma) 7.95e-02   2.19e-03
diff --git a/tests/regression_tests/filter_energyfun/test.py b/tests/regression_tests/filter_energyfun/test.py
index b09f0e5ec..c297c094a 100644
--- a/tests/regression_tests/filter_energyfun/test.py
+++ b/tests/regression_tests/filter_energyfun/test.py
@@ -32,7 +32,7 @@ def model():
 
     with pytest.raises(ValueError):
         filt1.interpolation = '5th order polynomial'
-    
+
     # Also make a filter with the .from_tabulated1d constructor.  Make sure
     # the filters are identical.
     tab1d = openmc.data.Tabulated1D(x, y)
@@ -42,13 +42,22 @@ def model():
     filt3 = openmc.EnergyFunctionFilter(x, y)
     filt3.interpolation = 'log-log'
 
+    filt4 = openmc.EnergyFunctionFilter(x , y)
+    filt4.interpolation = 'linear-log'
+
+    filt5 = openmc.EnergyFunctionFilter(x, y)
+    filt5.interpolation = 'log-linear'
+
+    filters = [filt1, filt3, filt4, filt5]
     # Make tallies
-    tallies = [openmc.Tally(), openmc.Tally(), openmc.Tally()]
+    tallies = [openmc.Tally() for i in range(5)]
     for t in tallies:
         t.scores = ['(n,gamma)']
         t.nuclides = ['Am241']
-    tallies[1].filters = [filt1]
-    tallies[2].filters = [filt3]
+
+    for t, f in zip(tallies[1:], filters):
+        t.filters = [f]
+
     model.tallies.extend(tallies)
 
     return model
@@ -64,9 +73,11 @@ class FilterEnergyFunHarness(PyAPITestHarness):
         br_tally = sp.tallies[2] / sp.tallies[1]
         dataframes_string += br_tally.get_pandas_dataframe().to_string() + '\n'
 
-        # Write out the log-log interpolation as well
-        log_tally = sp.tallies[3]
-        dataframes_string += log_tally.get_pandas_dataframe().to_string() + '\n'
+
+        for t_id in (3, 4, 5):
+            # Write out the log-log interpolation as well
+            ef_tally = sp.tallies[t_id]
+            dataframes_string += ef_tally.get_pandas_dataframe().to_string() + '\n'
 
         # Output the tally in a Pandas DataFrame.
         return dataframes_string
@@ -78,7 +89,7 @@ class FilterEnergyFunHarness(PyAPITestHarness):
         sp = openmc.StatePoint(self._sp_name)
 
         # statepoint file round-trip checks
-        
+
         # linear-linear interpolation tally
         sp_lin_lin_tally = sp.get_tally(id=2)
         sp_lin_lin_filt = sp_lin_lin_tally.find_filter(openmc.EnergyFunctionFilter)
@@ -105,6 +116,14 @@ class FilterEnergyFunHarness(PyAPITestHarness):
         # we expect the log-log tally to have a higher value
         assert all(sp_lin_lin_tally.mean < sp_log_log_tally.mean)
 
+        sp_lin_log_tally = self._model.tallies[3]
+        sp_lin_log_filt = sp_lin_log_tally.find_filter(openmc.EnergyFunctionFilter)
+        assert sp_lin_log_filt.interpolation == 'linear-log'
+
+        sp_log_lin_tally = self._model.tallies[4]
+        sp_log_lin_filt = sp_log_lin_tally.find_filter(openmc.EnergyFunctionFilter)
+        assert sp_log_lin_filt.interpolation == 'log-linear'
+
 
 def test_filter_energyfun(model):
     harness = FilterEnergyFunHarness('statepoint.5.h5', model)

From 48a9ac9a2cb9df43d391f3a0dbe6948f26536afb Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Sat, 6 Aug 2022 06:48:47 -0500
Subject: [PATCH 0926/2654] Adding initial lagrangian interpolation.

---
 include/openmc/interpolate.h | 25 +++++++++++++++++++++++++
 1 file changed, 25 insertions(+)

diff --git a/include/openmc/interpolate.h b/include/openmc/interpolate.h
index b88ab2f2e..068314033 100644
--- a/include/openmc/interpolate.h
+++ b/include/openmc/interpolate.h
@@ -60,6 +60,31 @@ inline double interpolate(const std::vector<double>& xs,
   return interpolate(xs, ys, idx, x, i);
 }
 
+inline double interpolate_lagrangian(
+  const std::vector<double>& xs, const std::vector<double>& ys, double x)
+{
+  int idx = lower_bound_index(xs.begin(), xs.end(), x);
+
+  std::vector<double> coeffs;
+
+  int order = 3;
+
+  for (int i = 0; i < order + 1; i++) {
+    double numerator {1.0};
+    double denominator {1.0};
+    for (int j = 0; j < order; j++) {
+      if (i == j)
+        continue;
+      numerator *= (x - xs[idx + j]);
+      denominator *= (xs[idx + i] - xs[idx + j]);
+    }
+    coeffs.push_back(numerator / denominator);
+  }
+
+  return std::inner_product(
+    coeffs.begin(), coeffs.end(), ys.begin() + idx, 0.0);
+}
+
 } // namespace openmc
 
 #endif
\ No newline at end of file

From 445fb0af3627b728a35de8fffa33f17501b85ead Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Mon, 8 Aug 2022 07:38:37 -0500
Subject: [PATCH 0927/2654] Adjusting interpolation enumeration values.

---
 include/openmc/constants.h | 3 ++-
 openmc/data/function.py    | 2 +-
 2 files changed, 3 insertions(+), 2 deletions(-)

diff --git a/include/openmc/constants.h b/include/openmc/constants.h
index 9c9a5f9b3..32cd8186a 100644
--- a/include/openmc/constants.h
+++ b/include/openmc/constants.h
@@ -319,7 +319,8 @@ enum class Interpolation {
   lin_log = 3,
   log_lin = 4,
   log_log = 5,
-  cubic = 6
+  quadratic = 6,
+  cubic = 7
 };
 
 enum class RunMode {
diff --git a/openmc/data/function.py b/openmc/data/function.py
index f03319eed..59f549d6f 100644
--- a/openmc/data/function.py
+++ b/openmc/data/function.py
@@ -13,7 +13,7 @@ from openmc.mixin import EqualityMixin
 from .data import EV_PER_MEV
 
 INTERPOLATION_SCHEME = {1: 'histogram', 2: 'linear-linear', 3: 'linear-log',
-                        4: 'log-linear', 5: 'log-log', 6 : 'cubic'}
+                        4: 'log-linear', 5: 'log-log', 6 : 'quadratic', 7 : 'cubic'}
 
 
 def sum_functions(funcs):

From aa571c2c33b421e2524e249ca00f9584e891dd0a Mon Sep 17 00:00:00 2001
From: erkn <erik@vonbrun.org>
Date: Tue, 6 Sep 2022 02:22:21 +0200
Subject: [PATCH 0928/2654] wip add MCPL-out to openmc

code for writing a source_bank/point compiles but is untested
---
 include/openmc/state_point.h |   9 +++
 src/state_point.cpp          | 125 +++++++++++++++++++++++++++++++++++
 2 files changed, 134 insertions(+)

diff --git a/include/openmc/state_point.h b/include/openmc/state_point.h
index 5ada2bf88..2d92c935a 100644
--- a/include/openmc/state_point.h
+++ b/include/openmc/state_point.h
@@ -9,6 +9,10 @@
 #include "openmc/particle.h"
 #include "openmc/vector.h"
 
+#ifdef OPENMC_MCPL
+#include <mcpl.h>
+#endif
+
 namespace openmc {
 
 void load_state_point();
@@ -21,5 +25,10 @@ void write_tally_results_nr(hid_t file_id);
 void restart_set_keff();
 void write_unstructured_mesh_results();
 
+#ifdef OPENMC_MCPL
+void write_mcpl_source_point(const char *filename_, bool surf_source_bank = false);
+void write_mcpl_source_bank(mcpl_outfile_t file_id, bool surf_source_bank);
+#endif
+
 } // namespace openmc
 #endif // OPENMC_STATE_POINT_H
diff --git a/src/state_point.cpp b/src/state_point.cpp
index 9ea045915..babd670a2 100644
--- a/src/state_point.cpp
+++ b/src/state_point.cpp
@@ -28,6 +28,10 @@
 #include "openmc/timer.h"
 #include "openmc/vector.h"
 
+#ifdef OPENMC_MCPL
+#include <mcpl.h>
+#endif
+
 namespace openmc {
 
 extern "C" int openmc_statepoint_write(const char* filename, bool* write_source)
@@ -598,6 +602,45 @@ void write_source_point(const char* filename, bool surf_source_bank)
     file_close(file_id);
 }
 
+void write_mcpl_point(const char *filename, bool surf_source_bank)
+{
+  std::string filename_;
+  if (filename) {
+    filename_ = filename;
+  } else {
+    // Determine width for zero padding
+    int w = std::to_string(settings::n_max_batches).size();
+
+    filename_ = fmt::format("{0}source.{1:0{2}}.mcpl", settings::path_output,
+      simulation::current_batch, w);
+  }
+
+  mcpl_outfile_t file_id;
+
+  std::string line;
+  if (mpi::master) {
+    // this must be rewritten: file_open is h5-specific
+    file_id = mcpl_create_outfile(filename_.c_str());
+    //write_attribute(file_id, "filetype", "source");
+    //write header stuff (oopy in xml-files as binary blobs for instance))
+    if (VERSION_DEV){
+      line=fmt::format("OpenMC {VERSION_MAJOR}.{VERSION_MINOR}.{VERSION_RELEASE}-development");
+    } else {
+      line=fmt::format("OpenMC {VERSION_MAJOR}.{VERSION_MINOR}.{VERSION_RELEASE}");
+    }
+    mcpl_hdr_set_srcname(file_id,line.c_str());
+  }
+
+  write_mcpl_source_bank(file_id, surf_source_bank);
+
+  if (mpi::master) {
+    //change this - this is h5 specific
+    mcpl_closeandgzip_outfile(file_id);
+  }
+
+}
+
+
 void write_source_bank(hid_t group_id, bool surf_source_bank)
 {
   hid_t banktype = h5banktype();
@@ -714,6 +757,88 @@ void write_source_bank(hid_t group_id, bool surf_source_bank)
   H5Tclose(banktype);
 }
 
+void write_mcpl_source_bank(mcpl_outfile_t file_id, bool surf_source_bank)
+{
+  int64_t dims_size = settings::n_particles;
+  int64_t count_size = simulation::work_per_rank;
+
+  // Set vectors for source bank and starting bank index of each process
+  vector<int64_t>* bank_index = &simulation::work_index;
+  vector<SourceSite>* source_bank = &simulation::source_bank;
+  vector<int64_t> surf_source_index_vector;
+  vector<SourceSite> surf_source_bank_vector;
+
+  if(surf_source_bank) {
+    surf_source_index_vector = calculate_surf_source_size();
+    dims_size = surf_source_index_vector[mpi::n_procs];
+    count_size = simulation::surf_source_bank.size();
+
+    bank_index = &surf_source_index_vector;
+
+    // Copy data in a SharedArray into a vector.
+    surf_source_bank_vector.resize(count_size);
+    surf_source_bank_vector.assign(simulation::surf_source_bank.data(),
+      simulation::surf_source_bank.data() + count_size);
+    source_bank = &surf_source_bank_vector;
+  }
+
+  if (mpi::master) {
+    //write particles from the master node
+    //loop over the other nodes and receive data - then write those.
+    for (int i = 0; i < mpi::n_procs; ++i) {
+#ifdef OPENMC_MPI
+      if (i>0)
+        MPI_Recv(source_bank->data(), count[0], mpi::source_site, i, i,
+          mpi::intracomm, MPI_STATUS_IGNORE);
+#endif
+      //now write the source_banke data again.
+      for (vector<SourceSite>::iterator _site=source_bank->begin(); _site!=source_bank->end();_site++){
+        //particle is now at the iterator
+        //write it to the mcpl-file
+        mcpl_particle_t p;
+        p.position[0]=_site->r.x;
+        p.position[1]=_site->r.y;
+        p.position[2]=_site->r.z;
+
+        p.direction[0]=_site->u.x;
+        p.direction[1]=_site->u.y;
+        p.direction[2]=_site->u.x;
+
+        //mcpl stores kinetic energy in MeV
+        p.ekin=_site->E*1e-6;
+
+        p.time=_site->time*1e3;
+
+        p.weight=_site->wgt;
+
+        switch(_site->particle){
+          case ParticleType::neutron:
+            p.pdgcode=2112;
+            break;
+          case ParticleType::photon:
+            p.pdgcode=22;
+            break;
+          case ParticleType::electron:
+            p.pdgcode=11;
+            break;
+          case ParticleType::positron:
+            p.pdgcode=-11;
+            break;
+        }
+
+        mcpl_add_particle(file_id,&p);
+      }
+    }
+  } else {
+#ifdef OPENMC_MPI
+    MPI_Send(source_bank->data(), count_size, mpi::source_site, 0, mpi::rank,
+      mpi::intracomm);
+#endif
+  }
+
+}
+
+
 // Determine member names of a compound HDF5 datatype
 std::string dtype_member_names(hid_t dtype_id)
 {

From be09b442fbfc41d029ed0eccef87ea25477f40aa Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erik.knudsen@copenhagenatomics.com>
Date: Tue, 6 Sep 2022 09:11:41 +0200
Subject: [PATCH 0929/2654] allow electrons and positrons as well

---
 src/source.cpp | 29 ++++++++++++++++++++---------
 1 file changed, 20 insertions(+), 9 deletions(-)

diff --git a/src/source.cpp b/src/source.cpp
index 82978f103..e7c944cb5 100644
--- a/src/source.cpp
+++ b/src/source.cpp
@@ -383,19 +383,30 @@ SourceSite MCPLFileSource::read_single_particle() const
 {
   SourceSite omc_particle_;
   const mcpl_particle_t *mcpl_particle;
-  //extract particle from mcpl-file
+  // extract particle from mcpl-file
   mcpl_particle=mcpl_read(mcpl_file);
-  // check if it is a neutron or a photon. otherwise skip
-  while ( mcpl_particle->pdgcode!=2112 && mcpl_particle->pdgcode!=22 ) {
+  // check if it is a neutron, photon, electron, or positron. Otherwise skip.
+  int pdg=mcpl_particle->pdgcode;
+  while ( pdg!=2112 && pdg!=22 && pdg!=11 && pdg!=-11) {
     mcpl_particle=mcpl_read(mcpl_file);
-    //should check for file exhaustion This could happen if particles are other than
-    //neutrons or photons
+    pdg=mcpl_particle->pdgcode;
+    //should check for file exhaustion. This could happen if particles are other than
+    //neutrons, photons, electrons, or positrons.
   }
 
-  if(mcpl_particle->pdgcode==2112) {
-    omc_particle_.particle=ParticleType::neutron;
-  } else if (mcpl_particle->pdgcode==22) {
-    omc_particle_.particle=ParticleType::photon;
+  switch(pdg){
+    case 2112:
+      omc_particle_.particle=ParticleType::neutron;
+      break;
+    case 22:
+      omc_particle_.particle=ParticleType::photon;
+      break;
+    case 11:
+      omc_particle_.particle=ParticleType::electron;
+      break;
+    case -11:
+      omc_particle_.particle=ParticleType::positron;
+      break;
   }
 
   //particle is good, convert to openmc-formalism

From 4e5ba4b4601209f389c394cd3747891e76b43f1c Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erik.knudsen@copenhagenatomics.com>
Date: Tue, 6 Sep 2022 09:12:01 +0200
Subject: [PATCH 0930/2654] expose a python function to check for mcpl

---
 openmc/lib/__init__.py | 3 +++
 src/source.cpp         | 6 ++++++
 2 files changed, 9 insertions(+)

diff --git a/openmc/lib/__init__.py b/openmc/lib/__init__.py
index c14b0d9c2..1e337fc07 100644
--- a/openmc/lib/__init__.py
+++ b/openmc/lib/__init__.py
@@ -48,6 +48,9 @@ def _coord_levels():
 def _libmesh_enabled():
     return c_bool.in_dll(_dll, "LIBMESH_ENABLED").value
 
+def _mcpl_enabled():
+    return c_bool.in_dll(_dll, "MCPL_ENABLED").value
+
 from .error import *
 from .core import *
 from .nuclide import *
diff --git a/src/source.cpp b/src/source.cpp
index e7c944cb5..9b426c3cf 100644
--- a/src/source.cpp
+++ b/src/source.cpp
@@ -41,6 +41,12 @@ namespace openmc {
 // Global variables
 //==============================================================================
 
+#ifdef OPENMC_MCPL
+const bool MCPL_ENABLED = true;
+#else
+const bool MCPL_ENABLED = false;
+#endif
+
 namespace model {
 
 vector<unique_ptr<Source>> external_sources;

From 1c917201aee18000b9a9ccf98f6f422c3f2ac121 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Tue, 6 Sep 2022 13:59:09 +0100
Subject: [PATCH 0931/2654] type hints added to openmc.deplete.Results

---
 openmc/deplete/results.py | 36 ++++++++++++++++++++++++++----------
 1 file changed, 26 insertions(+), 10 deletions(-)

diff --git a/openmc/deplete/results.py b/openmc/deplete/results.py
index b38dcf058..aea54ba8c 100644
--- a/openmc/deplete/results.py
+++ b/openmc/deplete/results.py
@@ -1,6 +1,7 @@
 import numbers
 import bisect
 import math
+from typing import Iterable, Optional, Tuple
 from warnings import warn
 
 import h5py
@@ -15,7 +16,7 @@ from openmc.exceptions import DataError
 __all__ = ["Results", "ResultsList"]
 
 
-def _get_time_as(seconds, units):
+def _get_time_as(seconds: float, units: str) -> float:
     """Converts the time in seconds to time in different units
 
     Parameters
@@ -70,7 +71,7 @@ class Results(list):
 
 
     @classmethod
-    def from_hdf5(cls, filename):
+    def from_hdf5(cls, filename: str):
         """Load in depletion results from a previous file
 
         Parameters
@@ -91,7 +92,13 @@ class Results(list):
         )
         return cls(filename)
 
-    def get_atoms(self, mat, nuc, nuc_units="atoms", time_units="s"):
+    def get_atoms(
+        self,
+        mat: Material,
+        nuc: str,
+        nuc_units: str = "atoms",
+        time_units: str = "s"
+    ) -> Tuple[np.ndarray, np.ndarray]:
         """Get number of nuclides over time from a single material
 
         .. note::
@@ -155,7 +162,12 @@ class Results(list):
 
         return times, concentrations
 
-    def get_reaction_rate(self, mat, nuc, rx):
+    def get_reaction_rate(
+        self,
+        mat: Material,
+        nuc: str,
+        rx: str
+    ) -> Tuple[np.ndarray, np.ndarray]:
         """Get reaction rate in a single material/nuclide over time
 
         .. note::
@@ -200,7 +212,7 @@ class Results(list):
 
         return times, rates
 
-    def get_keff(self, time_units='s'):
+    def get_keff(self, time_units: str = 's') -> Tuple[np.ndarray, np.ndarray]:
         """Evaluates the eigenvalue from a results list.
 
         .. versionadded:: 0.13.1
@@ -236,12 +248,12 @@ class Results(list):
         times = _get_time_as(times, time_units)
         return times, eigenvalues
 
-    def get_eigenvalue(self, time_units='s'):
+    def get_eigenvalue(self, time_units: str = 's') -> Tuple[np.ndarray, np.ndarray]:
         warn("The get_eigenvalue(...) function has been renamed get_keff and "
              "will be removed in a future version of OpenMC.", FutureWarning)
         return self.get_keff(time_units)
 
-    def get_depletion_time(self):
+    def get_depletion_time(self) -> np.ndarray:
         """Return an array of the average time to deplete a material
 
         .. note::
@@ -269,7 +281,7 @@ class Results(list):
             times[ix] = res.proc_time
         return times
 
-    def get_times(self, time_units="d") -> np.ndarray:
+    def get_times(self, time_units: str = "d") -> np.ndarray:
         """Return the points in time that define the depletion schedule
 
         .. versionadded:: 0.12.1
@@ -298,7 +310,7 @@ class Results(list):
         return _get_time_as(times, time_units)
 
     def get_step_where(
-        self, time, time_units="d", atol=1e-6, rtol=1e-3
+        self, time, time_units: str = "d", atol: float = 1e-6, rtol: float = 1e-3
     ) -> int:
         """Return the index closest to a given point in time
 
@@ -358,7 +370,11 @@ class Results(list):
                 time, time_units, atol, rtol)
         )
 
-    def export_to_materials(self, burnup_index, nuc_with_data=None) -> Materials:
+    def export_to_materials(
+        self,
+        burnup_index: int,
+        nuc_with_data: Optional[Iterable[str]] = None
+    ) -> Materials:
         """Return openmc.Materials object based on results at a given step
 
         .. versionadded:: 0.12.1

From 225dc5c43cece1deea1049fcd703e06541ad4e46 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Tue, 6 Sep 2022 17:22:31 +0100
Subject: [PATCH 0932/2654] create PathLike type for hints

---
 openmc/checkvalue.py      | 5 +++++
 openmc/deplete/results.py | 7 ++++---
 openmc/material.py        | 6 +++---
 openmc/settings.py        | 5 +++--
 4 files changed, 15 insertions(+), 8 deletions(-)

diff --git a/openmc/checkvalue.py b/openmc/checkvalue.py
index d50b3fcae..c5d80b2fc 100644
--- a/openmc/checkvalue.py
+++ b/openmc/checkvalue.py
@@ -1,8 +1,13 @@
 import copy
+import os
+from typing import Union
 from collections.abc import Iterable
 
 import numpy as np
 
+# Type for arguments that accept file paths
+PathLike = Union[str, os.PathLike]
+
 
 def check_type(name, value, expected_type, expected_iter_type=None, *, none_ok=False):
     """Ensure that an object is of an expected type. Optionally, if the object is
diff --git a/openmc/deplete/results.py b/openmc/deplete/results.py
index aea54ba8c..ab2123220 100644
--- a/openmc/deplete/results.py
+++ b/openmc/deplete/results.py
@@ -1,7 +1,7 @@
 import numbers
 import bisect
 import math
-from typing import Iterable, Optional, Tuple
+from typing import Iterable, Optional, Tuple, Union
 from warnings import warn
 
 import h5py
@@ -12,6 +12,7 @@ import openmc.checkvalue as cv
 from openmc.data.library import DataLibrary
 from openmc.material import Material, Materials
 from openmc.exceptions import DataError
+from openmc.checkvalue import PathLike
 
 __all__ = ["Results", "ResultsList"]
 
@@ -71,7 +72,7 @@ class Results(list):
 
 
     @classmethod
-    def from_hdf5(cls, filename: str):
+    def from_hdf5(cls, filename: PathLike):
         """Load in depletion results from a previous file
 
         Parameters
@@ -164,7 +165,7 @@ class Results(list):
 
     def get_reaction_rate(
         self,
-        mat: Material,
+        mat: Union[Material, str],
         nuc: str,
         rx: str
     ) -> Tuple[np.ndarray, np.ndarray]:
diff --git a/openmc/material.py b/openmc/material.py
index f137ec0cd..15a5933a6 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -3,7 +3,6 @@ from collections.abc import Iterable
 from copy import deepcopy
 from numbers import Real
 from pathlib import Path
-import os
 import re
 import typing  # imported separately as py3.8 requires typing.Iterable
 import warnings
@@ -18,6 +17,7 @@ import openmc.data
 import openmc.checkvalue as cv
 from ._xml import clean_indentation, reorder_attributes
 from .mixin import IDManagerMixin
+from openmc.checkvalue import PathLike
 
 
 # Units for density supported by OpenMC
@@ -1382,7 +1382,7 @@ class Materials(cv.CheckedList):
         for material in self:
             material.make_isotropic_in_lab()
 
-    def export_to_xml(self, path: Union[str, os.PathLike] = 'materials.xml'):
+    def export_to_xml(self, path: PathLike = 'materials.xml'):
         """Export material collection to an XML file.
 
         Parameters
@@ -1429,7 +1429,7 @@ class Materials(cv.CheckedList):
             fh.write('</materials>\n')
 
     @classmethod
-    def from_xml(cls, path: Union[str, os.PathLike] = 'materials.xml'):
+    def from_xml(cls, path: PathLike = 'materials.xml'):
         """Generate materials collection from XML file
 
         Parameters
diff --git a/openmc/settings.py b/openmc/settings.py
index 4372e679f..ad5a9b28a 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -13,6 +13,7 @@ import openmc.checkvalue as cv
 
 from . import RegularMesh, Source, VolumeCalculation, WeightWindows
 from ._xml import clean_indentation, get_text, reorder_attributes
+from openmc.checkvalue import PathLike
 
 
 class RunMode(Enum):
@@ -1535,7 +1536,7 @@ class Settings:
         if text is not None:
             self.max_tracks = int(text)
 
-    def export_to_xml(self, path: Union[str, os.PathLike] = 'settings.xml'):
+    def export_to_xml(self, path: PathLike = 'settings.xml'):
         """Export simulation settings to an XML file.
 
         Parameters
@@ -1607,7 +1608,7 @@ class Settings:
         tree.write(str(p), xml_declaration=True, encoding='utf-8')
 
     @classmethod
-    def from_xml(cls, path: Union[str, os.PathLike] = 'settings.xml'):
+    def from_xml(cls, path: PathLike = 'settings.xml'):
         """Generate settings from XML file
 
         .. versionadded:: 0.13.0

From 32e71395b3ad44ecc7080ba39d4b920adfb88702 Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erik.knudsen@copenhagenatomics.com>
Date: Tue, 6 Sep 2022 23:06:19 +0200
Subject: [PATCH 0933/2654] add a trigger to simulation control

---
 src/simulation.cpp | 7 +++++++
 1 file changed, 7 insertions(+)

diff --git a/src/simulation.cpp b/src/simulation.cpp
index b70535c33..05c8c0450 100644
--- a/src/simulation.cpp
+++ b/src/simulation.cpp
@@ -406,6 +406,13 @@ void finalize_batch()
     auto filename = settings::path_output + "surface_source.h5";
     write_source_point(filename.c_str(), true);
   }
+
+  if(settings::surf_mcpl_write && simulation::current_batch == settings::n_batches){
+    auto filename = settings::path_output + ".mcpl";
+    write_mcplt_source_point(filename.c_str(), true);
+  }
+
+
 }
 
 void initialize_generation()

From d300bac7340f473dc8d4cf6b586ea92a69ecac55 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Tue, 6 Sep 2022 20:30:43 -0500
Subject: [PATCH 0934/2654] Reverting some changes outside of the EFF.

---
 src/material.cpp |  4 ++--
 src/physics.cpp  | 13 +++++++++----
 2 files changed, 11 insertions(+), 6 deletions(-)

diff --git a/src/material.cpp b/src/material.cpp
index 8c75b079d..30dfa5ed5 100644
--- a/src/material.cpp
+++ b/src/material.cpp
@@ -734,8 +734,8 @@ void Material::init_bremsstrahlung()
       // Loop over photon energies
       double c = 0.0;
       for (int i = 0; i < j; ++i) {
-        // Integra  te the CDF from the PDF using the trapezoidal rule in
-        // log-log space
+        // Integrate the CDF from the PDF using the trapezoidal rule in log-log
+        // space
         double w_l = std::log(data::ttb_e_grid(i));
         double w_r = std::log(data::ttb_e_grid(i + 1));
         double x_l = std::log(ttb->pdf(j, i));
diff --git a/src/physics.cpp b/src/physics.cpp
index 5e9afa090..bcdcf7ecf 100644
--- a/src/physics.cpp
+++ b/src/physics.cpp
@@ -7,7 +7,6 @@
 #include "openmc/eigenvalue.h"
 #include "openmc/endf.h"
 #include "openmc/error.h"
-#include "openmc/interpolate.h"
 #include "openmc/material.h"
 #include "openmc/math_functions.h"
 #include "openmc/message_passing.h"
@@ -884,9 +883,15 @@ Direction sample_target_velocity(const Nuclide& nuc, double E, Direction u,
 
     if (sampling_method == ResScatMethod::dbrc) {
       // interpolate xs since we're not exactly at the energy indices
-      double xs_low =
-        interpolate(nuc.energy_0K_, nuc.elastic_0K_, i_E_low, E_low);
-      double xs_up = interpolate(nuc.energy_0K_, nuc.elastic_0K_, i_E_up, E_up);
+      double xs_low = nuc.elastic_0K_[i_E_low];
+      double m = (nuc.elastic_0K_[i_E_low + 1] - xs_low) /
+                 (nuc.energy_0K_[i_E_low + 1] - nuc.energy_0K_[i_E_low]);
+      xs_low += m * (E_low - nuc.energy_0K_[i_E_low]);
+      double xs_up = nuc.elastic_0K_[i_E_up];
+      m = (nuc.elastic_0K_[i_E_up + 1] - xs_up) /
+          (nuc.energy_0K_[i_E_up + 1] - nuc.energy_0K_[i_E_up]);
+      xs_up += m * (E_up - nuc.energy_0K_[i_E_up]);
+
       // get max 0K xs value over range of practical relative energies
       double xs_max = *std::max_element(
         &nuc.elastic_0K_[i_E_low + 1], &nuc.elastic_0K_[i_E_up + 1]);

From 5168b3392a2a5b4e3aa54531dc1ba0a7bedf0487 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Tue, 6 Sep 2022 20:31:00 -0500
Subject: [PATCH 0935/2654] Accepting other interpolation types for converted
 Tabulated1D distributions

---
 openmc/filter.py | 14 +++++++++++---
 1 file changed, 11 insertions(+), 3 deletions(-)

diff --git a/openmc/filter.py b/openmc/filter.py
index 858238bcf..9815572a3 100644
--- a/openmc/filter.py
+++ b/openmc/filter.py
@@ -1987,10 +1987,18 @@ class EnergyFunctionFilter(Filter):
         if tab1d.n_regions > 1:
             raise ValueError('Only Tabulated1Ds with a single interpolation '
                              'region are supported')
-        if tab1d.interpolation[0] not in (2, 5):
-            raise ValueError('Only linear-linear or log-log Tabulated1Ds are supported')
+        if tab1d.interpolation[0] not in (2, 3, 4, 5):
+            raise ValueError('Only linear-linear, linear-log, log-linear, and '
+                             'log-log Tabulated1Ds are supported')
         out = cls(tab1d.x, tab1d.y)
-        if tab1d.interpolation[0] == 5:
+
+        if tab1d.interpolation[0] == 2:
+            out.interpolation = 'linear-lienar'
+        elif tab1d.interpolation[0] == 3:
+            out.interpolation = 'linear-log'
+        elif tab1d.interpolation[0] == 4:
+            out.interpolation = 'log-linear'
+        elif tab1d.interpolation[0] == 5:
             out.interpolation = 'log-log'
 
         return out

From 35aa433b9a460c6cf5093d3864fb50e8c56d140c Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Tue, 6 Sep 2022 22:49:00 -0500
Subject: [PATCH 0936/2654] Updating interpolation function signature.

---
 include/openmc/interpolate.h      | 63 ++++++++++++++++---------------
 src/tallies/filter_energyfunc.cpp | 25 +-----------
 2 files changed, 33 insertions(+), 55 deletions(-)

diff --git a/include/openmc/interpolate.h b/include/openmc/interpolate.h
index 068314033..2764b7ffc 100644
--- a/include/openmc/interpolate.h
+++ b/include/openmc/interpolate.h
@@ -34,41 +34,11 @@ inline double interpolate_log_log(
   return y0 * exp(f * log(y1 / y0));
 }
 
-inline double interpolate(const std::vector<double>& xs,
-  const std::vector<double>& ys, int idx, double x,
-  Interpolation i = Interpolation::lin_lin)
-{
-  switch (i) {
-  case Interpolation::lin_lin:
-    return interpolate_lin_lin(xs[idx], xs[idx + 1], ys[idx], ys[idx + 1], x);
-  case Interpolation::log_log:
-    return interpolate_log_log(xs[idx], xs[idx + 1], ys[idx], ys[idx + 1], x);
-  case Interpolation::lin_log:
-    return interpolate_lin_log(xs[idx], xs[idx + 1], ys[idx], ys[idx + 1], x);
-  case Interpolation::log_lin:
-    return interpolate_log_lin(xs[idx], xs[idx + 1], ys[idx], ys[idx + 1], x);
-  default:
-    fatal_error("Unsupported interpolation");
-  }
-}
-
-inline double interpolate(const std::vector<double>& xs,
-  const std::vector<double>& ys, double x,
-  Interpolation i = Interpolation::lin_lin)
-{
-  int idx = lower_bound_index(xs.begin(), xs.end(), x);
-  return interpolate(xs, ys, idx, x, i);
-}
-
 inline double interpolate_lagrangian(
-  const std::vector<double>& xs, const std::vector<double>& ys, double x)
+  const std::vector<double>& xs, const std::vector<double>& ys, int idx, double x, int order)
 {
-  int idx = lower_bound_index(xs.begin(), xs.end(), x);
-
   std::vector<double> coeffs;
 
-  int order = 3;
-
   for (int i = 0; i < order + 1; i++) {
     double numerator {1.0};
     double denominator {1.0};
@@ -85,6 +55,37 @@ inline double interpolate_lagrangian(
     coeffs.begin(), coeffs.end(), ys.begin() + idx, 0.0);
 }
 
+inline double interpolate(const std::vector<double>& xs,
+  const std::vector<double>& ys, double x,
+  Interpolation i = Interpolation::lin_lin)
+{
+  int idx = lower_bound_index(xs.begin(), xs.end(), x);
+
+  switch (i) {
+  case Interpolation::lin_lin:
+    return interpolate_lin_lin(xs[idx], xs[idx + 1], ys[idx], ys[idx + 1], x);
+  case Interpolation::log_log:
+    return interpolate_log_log(xs[idx], xs[idx + 1], ys[idx], ys[idx + 1], x);
+  case Interpolation::lin_log:
+    return interpolate_lin_log(xs[idx], xs[idx + 1], ys[idx], ys[idx + 1], x);
+  case Interpolation::log_lin:
+    return interpolate_log_lin(xs[idx], xs[idx + 1], ys[idx], ys[idx + 1], x);
+  case Interpolation::quadratic:
+    // move back one point if x is in the last interval of the x-grid
+    if (idx == xs.size() - 2 && idx > 0) idx--;
+    return interpolate_lagrangian(xs, ys, x, idx, 2);
+  case Interpolation::cubic:
+    // if x is not in the first interval of the x-grid, move back one
+    if (idx > 0) idx--;
+    // if the index was the last interval of the x-grid, move it back one more
+    if (idx == xs.size() - 3) idx--;
+    return interpolate_lagrangian(xs, ys, x, idx, 3);
+  default:
+    fatal_error("Unsupported interpolation");
+  }
+}
+
+
 } // namespace openmc
 
 #endif
\ No newline at end of file
diff --git a/src/tallies/filter_energyfunc.cpp b/src/tallies/filter_energyfunc.cpp
index f883975a3..a09854e84 100644
--- a/src/tallies/filter_energyfunc.cpp
+++ b/src/tallies/filter_energyfunc.cpp
@@ -75,31 +75,8 @@ void EnergyFunctionFilter::get_all_bins(
   const Particle& p, TallyEstimator estimator, FilterMatch& match) const
 {
   if (p.E_last() >= energy_.front() && p.E_last() <= energy_.back()) {
-    // Search for the incoming energy bin.
-    auto i = lower_bound_index(energy_.begin(), energy_.end(), p.E_last());
 
-    double f, w;
-    switch (interpolation_) {
-    case Interpolation::lin_lin:
-      w = interpolate_lin_lin(
-        energy_[i], energy_[i + 1], y_[i], y_[i + 1], p.E_last());
-      break;
-    case Interpolation::lin_log:
-      w = interpolate_lin_log(
-        energy_[i], energy_[i + 1], y_[i], y_[i + 1], p.E_last());
-      break;
-    case Interpolation::log_lin:
-      w = interpolate_log_lin(
-        energy_[i], energy_[i + 1], y_[i], y_[i + 1], p.E_last());
-      break;
-    case Interpolation::log_log:
-      w = interpolate_log_log(
-        energy_[i], energy_[i + 1], y_[i], y_[i + 1], p.E_last());
-      break;
-    default:
-      fatal_error(fmt::format(
-        "Invalid interpolation scheme found on EnergyFunctionFilter {}", id()));
-    }
+    double w = interpolate(energy_, y_, p.E_last(), interpolation_);
 
     // Interpolate on the lin-lin grid.
     match.bins_.push_back(0);

From fd7683fe31db6791670c6d512a0739445d9397e6 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Tue, 6 Sep 2022 22:50:27 -0500
Subject: [PATCH 0937/2654] Correction to str literal 'linear-linear'

---
 openmc/filter.py | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/openmc/filter.py b/openmc/filter.py
index 9815572a3..8b0c84c7e 100644
--- a/openmc/filter.py
+++ b/openmc/filter.py
@@ -1992,8 +1992,9 @@ class EnergyFunctionFilter(Filter):
                              'log-log Tabulated1Ds are supported')
         out = cls(tab1d.x, tab1d.y)
 
+        # set interpolation type
         if tab1d.interpolation[0] == 2:
-            out.interpolation = 'linear-lienar'
+            out.interpolation = 'linear-linear'
         elif tab1d.interpolation[0] == 3:
             out.interpolation = 'linear-log'
         elif tab1d.interpolation[0] == 4:

From e34f786c6f6c5cf3c236aa9d8cb15cf39876aaa8 Mon Sep 17 00:00:00 2001
From: Olek <45364492+yardasol@users.noreply.github.com>
Date: Wed, 7 Sep 2022 11:52:06 -0500
Subject: [PATCH 0938/2654] str->component in flow control

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/material.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/material.py b/openmc/material.py
index de4940a47..67615d74c 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -438,7 +438,7 @@ class Material(IDManagerMixin):
             params['percent_type'] = percent_type
 
             ## check if nuclide
-            if not str.isalpha():
+            if not component.isalpha():
                 self.add_nuclide(component, **params)
             else: # is element
                 kwargs = params

From 494e357a6422d929be050a08677a54c76808641d Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <drshimwell@gmail.com>
Date: Wed, 7 Sep 2022 18:55:03 +0100
Subject: [PATCH 0939/2654] Fixed the type of mat

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/deplete/results.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/deplete/results.py b/openmc/deplete/results.py
index ab2123220..15a65e98a 100644
--- a/openmc/deplete/results.py
+++ b/openmc/deplete/results.py
@@ -95,7 +95,7 @@ class Results(list):
 
     def get_atoms(
         self,
-        mat: Material,
+        mat: Union[Material, str],
         nuc: str,
         nuc_units: str = "atoms",
         time_units: str = "s"

From c29fb407d5794089da62b7bf53049097fc74c725 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 31 Aug 2022 16:20:42 -0500
Subject: [PATCH 0940/2654] Add global configuration via openmc.config

---
 openmc/__init__.py |  1 +
 openmc/config.py   | 54 ++++++++++++++++++++++++++++++++++++++++++++++
 2 files changed, 55 insertions(+)
 create mode 100644 openmc/config.py

diff --git a/openmc/__init__.py b/openmc/__init__.py
index abcac899f..214695e67 100644
--- a/openmc/__init__.py
+++ b/openmc/__init__.py
@@ -32,6 +32,7 @@ from openmc.search import *
 from openmc.polynomial import *
 from openmc.tracks import *
 from . import examples
+from .config import *
 
 # Import a few names from the model module
 from openmc.model import rectangular_prism, hexagonal_prism, Model
diff --git a/openmc/config.py b/openmc/config.py
new file mode 100644
index 000000000..a883c74cc
--- /dev/null
+++ b/openmc/config.py
@@ -0,0 +1,54 @@
+from collections.abc import MutableMapping
+import os
+from pathlib import Path
+
+from openmc.data import DataLibrary
+
+
+class _Config(MutableMapping):
+    def __init__(self, data=()):
+        self._mapping = {}
+        self.update(data)
+
+    def __getitem__(self, key):
+        return self._mapping[key]
+
+    def __delitem__(self, key):
+        del self._mapping[key]
+
+    def __setitem__(self, key, value):
+        if key == 'cross_sections':
+            # Force environment variable to match
+            self._mapping[key] = Path(value)
+            os.environ['OPENMC_CROSS_SECTIONS'] = str(value)
+        elif key == 'chain_file':
+            self._mapping[key] = Path(value)
+        else:
+            raise KeyError(f'Unrecognized config key: {key}')
+
+    def __iter__(self):
+        return iter(self._mapping)
+
+    def __len__(self):
+        return len(self._mapping)
+
+    def __repr__(self):
+        return repr(self._mapping)
+
+
+# Create default configuration
+config = _Config()
+
+# Set cross sections using environment variable
+config['cross_sections'] = os.environ.get("OPENMC_CROSS_SECTIONS")
+
+# Check for depletion chain in cross_sections.xml
+# Set depletion chain
+chain_file = os.environ.get("OPENMC_DEPLETE_CHAIN")
+if chain_file is None and config['cross_sections'] is not None:
+    data = DataLibrary.from_xml(config['cross_sections'])
+    for lib in reversed(data.libraries):
+        if lib['type'] == 'depletion_chain':
+            chain_file = lib['path']
+            break
+config['chain_file'] = chain_file

From a074e0a5cf985ce3a2763133aaa04e73c38d482b Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 31 Aug 2022 22:13:54 -0500
Subject: [PATCH 0941/2654] Use openmc.config['cross_sections'] instead of
 OPENMC_CROSS_SECTIONS

---
 openmc/data/library.py             | 17 ++++++++-------
 openmc/deplete/chain.py            | 23 ++-------------------
 openmc/deplete/coupled_operator.py | 15 +++++---------
 openmc/deplete/openmc_operator.py  | 16 +++++++++++----
 openmc/deplete/results.py          |  4 ++--
 openmc/element.py                  | 33 +++++++++++++++---------------
 openmc/material.py                 | 10 ++++-----
 openmc/mgxs_library.py             |  2 +-
 8 files changed, 51 insertions(+), 69 deletions(-)

diff --git a/openmc/data/library.py b/openmc/data/library.py
index bf937e57a..ad6c65fb6 100644
--- a/openmc/data/library.py
+++ b/openmc/data/library.py
@@ -4,6 +4,7 @@ import pathlib
 
 import h5py
 
+import openmc
 from openmc.mixin import EqualityMixin
 from openmc._xml import clean_indentation, reorder_attributes
 
@@ -124,8 +125,8 @@ class DataLibrary(EqualityMixin):
         Parameters
         ----------
         path : str, optional
-            Path to XML file to read. If not provided, the
-            :envvar:`OPENMC_CROSS_SECTIONS` environment variable will be  used.
+            Path to XML file to read. If not provided,
+            openmc.config['cross_sections'] will be used.
 
         Returns
         -------
@@ -136,15 +137,14 @@ class DataLibrary(EqualityMixin):
 
         data = cls()
 
-        # If path is None, get the cross sections from the
-        # OPENMC_CROSS_SECTIONS environment variable
+        # If path is None, get the cross sections from the global configuration
         if path is None:
-            path = os.environ.get('OPENMC_CROSS_SECTIONS')
+            path = openmc.config.get('cross_sections')
 
-        # Check to make sure there was an environmental variable.
+        # Check to make sure we picked up cross sections
         if path is None:
-            raise ValueError("Either path or OPENMC_CROSS_SECTIONS "
-                             "environmental variable must be set")
+            raise ValueError("Either path or openmc.config['cross_sections'] "
+                             "must be set")
 
         tree = ET.parse(path)
         root = tree.getroot()
@@ -162,7 +162,6 @@ class DataLibrary(EqualityMixin):
             data.libraries.append(library)
 
         # get depletion chain data
-
         dep_node = root.find("depletion_chain")
         if dep_node is not None:
             filename = os.path.join(directory, dep_node.attrib['path'])
diff --git a/openmc/deplete/chain.py b/openmc/deplete/chain.py
index d63bc6bfb..217c9cac0 100644
--- a/openmc/deplete/chain.py
+++ b/openmc/deplete/chain.py
@@ -239,24 +239,6 @@ def replace_missing_fpy(actinide, fpy_data, decay_data):
     return 'U235'
 
 
-def _find_chain_file(cross_sections=None):
-    # First check deprecated OPENMC_DEPLETE_CHAIN environment variable
-    chain_file = os.environ.get("OPENMC_DEPLETE_CHAIN")
-    if chain_file is not None:
-        warn("Use of OPENMC_DEPLETE_CHAIN is deprecated in favor of adding "
-             "depletion_chain to OPENMC_CROSS_SECTIONS", FutureWarning)
-        return chain_file
-
-    # Check for depletion chain in cross_sections.xml
-    data = DataLibrary.from_xml(cross_sections)
-    for lib in reversed(data.libraries):
-        if lib['type'] == 'depletion_chain':
-            return lib['path']
-
-    raise DataError("No depletion chain specified and could not find depletion "
-                    f"chain in {cross_sections}")
-
-
 class Chain:
     """Full representation of a depletion chain.
 
@@ -265,9 +247,8 @@ class Chain:
     yield sublibrary files. The depletion chain used during a depletion
     simulation is indicated by either an argument to
     :class:`openmc.deplete.CoupledOperator` or
-    :class:`openmc.deplete.IndependentOperator`, or through the
-    ``depletion_chain`` item in the :envvar:`OPENMC_CROSS_SECTIONS`
-    environment variable.
+    :class:`openmc.deplete.IndependentOperator`, or through
+    openmc.config['chain_file'].
 
     Attributes
     ----------
diff --git a/openmc/deplete/coupled_operator.py b/openmc/deplete/coupled_operator.py
index dd14f282f..4a7c5c56f 100644
--- a/openmc/deplete/coupled_operator.py
+++ b/openmc/deplete/coupled_operator.py
@@ -9,7 +9,6 @@ filesystem.
 """
 
 import copy
-import os
 from warnings import warn
 
 import numpy as np
@@ -22,7 +21,6 @@ from openmc.exceptions import DataError
 import openmc.lib
 from openmc.mpi import comm
 from .abc import OperatorResult
-from .chain import _find_chain_file
 from .openmc_operator import OpenMCOperator, _distribute
 from .results import Results
 from .helpers import (
@@ -48,11 +46,11 @@ def _find_cross_sections(model):
         return model.materials.cross_sections
 
     # otherwise fallback to environment variable
-    cross_sections = os.environ.get("OPENMC_CROSS_SECTIONS")
+    cross_sections = openmc.config.get("cross_sections")
     if cross_sections is None:
         raise DataError(
             "Cross sections were not specified in Model.materials and "
-            "the OPENMC_CROSS_SECTIONS environment variable is not set."
+            "openmc.config['cross_sections'] is not set."
         )
     return cross_sections
 
@@ -103,9 +101,8 @@ class CoupledOperator(OpenMCOperator):
     model : openmc.model.Model
         OpenMC model object
     chain_file : str, optional
-        Path to the depletion chain XML file.  Defaults to the file
-        listed under ``depletion_chain`` in
-        :envvar:`OPENMC_CROSS_SECTIONS` environment variable.
+        Path to the depletion chain XML file.  Defaults to
+        ``openmc.config['chain_file']``.
     prev_results : Results, optional
         Results from a previous depletion calculation. If this argument is
         specified, the depletion calculation will start from the latest state
@@ -231,10 +228,8 @@ class CoupledOperator(OpenMCOperator):
                 " model with which to generate the transport Operator."
             raise TypeError(msg)
 
-        # Determine cross sections / depletion chain
+        # Determine cross sections
         cross_sections = _find_cross_sections(model)
-        if chain_file is None:
-            chain_file = _find_chain_file(cross_sections)
 
         check_value('fission yield mode', fission_yield_mode,
                     self._fission_helpers.keys())
diff --git a/openmc/deplete/openmc_operator.py b/openmc/deplete/openmc_operator.py
index ee569bf71..91dc49b54 100644
--- a/openmc/deplete/openmc_operator.py
+++ b/openmc/deplete/openmc_operator.py
@@ -11,6 +11,7 @@ from collections import OrderedDict
 import numpy as np
 
 import openmc
+from openmc.exceptions import DataError
 from openmc.mpi import comm
 from .abc import TransportOperator, OperatorResult
 from .atom_number import AtomNumber
@@ -57,9 +58,8 @@ class OpenMCOperator(TransportOperator):
         Path to continuous energy cross section library, or object containing
         one-group cross-sections.
     chain_file : str, optional
-        Path to the depletion chain XML file.  Defaults to the file
-        listed under ``depletion_chain`` in
-        :envvar:`OPENMC_CROSS_SECTIONS` environment variable.
+        Path to the depletion chain XML file. Defaults to
+        openmc.config['chain_file'].
     prev_results : Results, optional
         Results from a previous depletion calculation. If this argument is
         specified, the depletion calculation will start from the latest state
@@ -83,7 +83,6 @@ class OpenMCOperator(TransportOperator):
         if ``reduce_chain`` evaluates to true. The default value of
         ``None`` implies no limit on the depth.
 
-
     Attributes
     ----------
     materials : openmc.Materials
@@ -133,6 +132,15 @@ class OpenMCOperator(TransportOperator):
             reduce_chain=False,
             reduce_chain_level=None):
 
+        # If chain file was not specified, try to get it from global config
+        if chain_file is None:
+            chain_file = openmc.config.get('chain_file')
+            if chain_file is None:
+                raise DataError(
+                    "No depletion chain specified and could not find depletion "
+                    "chain in openmc.config['chain_file']"
+                )
+
         super().__init__(chain_file, fission_q, dilute_initial, prev_results)
         self.round_number = False
         self.materials = materials
diff --git a/openmc/deplete/results.py b/openmc/deplete/results.py
index 15a65e98a..b2c8e7733 100644
--- a/openmc/deplete/results.py
+++ b/openmc/deplete/results.py
@@ -392,7 +392,7 @@ class Results(list):
             as such cannot be used in subsequent transport calculations.
             If not provided, nuclides from the cross_sections element of
             materials.xml will be used. If that element is not present,
-            nuclides from OPENMC_CROSS_SECTIONS will be used.
+            nuclides from openmc.config['cross_sections'] will be used.
 
         Returns
         -------
@@ -412,7 +412,7 @@ class Results(list):
         # the new materials XML file. The precedence of nuclides to select
         # is first ones provided as a kwarg here, then ones specified
         # in the materials.xml file if provided, then finally from
-        # the environment variable OPENMC_CROSS_SECTIONS.
+        # openmc.config['cross_sections'].
         if nuc_with_data:
             cv.check_iterable_type('nuclide names', nuc_with_data, str)
             available_cross_sections = nuc_with_data
diff --git a/openmc/element.py b/openmc/element.py
index 1473bd63e..49aeaf464 100644
--- a/openmc/element.py
+++ b/openmc/element.py
@@ -1,9 +1,9 @@
 from collections import OrderedDict
-import os
 import re
 from xml.etree import ElementTree as ET
 
 import openmc.checkvalue as cv
+import openmc
 from openmc.data import NATURAL_ABUNDANCE, atomic_mass, \
     isotopes as natural_isotopes
 
@@ -40,10 +40,10 @@ class Element(str):
                cross_sections=None):
         """Expand natural element into its naturally-occurring isotopes.
 
-        An optional cross_sections argument or the :envvar:`OPENMC_CROSS_SECTIONS`
-        environment variable is used to specify a cross_sections.xml file.
-        If the cross_sections.xml file is found, the element is expanded only
-        into the isotopes/nuclides present in cross_sections.xml. If no
+        An optional cross_sections argument or the ``cross_sections``
+        configuration value is used to specify a cross_sections.xml file. If the
+        cross_sections.xml file is found, the element is expanded only into the
+        isotopes/nuclides present in cross_sections.xml. If no
         cross_sections.xml file is found, the element is expanded based on its
         naturally occurring isotopes.
 
@@ -54,12 +54,13 @@ class Element(str):
         percent_type : {'ao', 'wo'}
             'ao' for atom percent and 'wo' for weight percent
         enrichment : float, optional
-            Enrichment of an enrichment_target nuclide in percent (ao or wo).
-            If enrichment_target is not supplied then it is enrichment for U235
-            in weight percent. For example, input 4.95 for 4.95 weight percent
+            Enrichment of an enrichment_target nuclide in percent (ao or wo). If
+            enrichment_target is not supplied then it is enrichment for U235 in
+            weight percent. For example, input 4.95 for 4.95 weight percent
             enriched U. Default is None (natural composition).
         enrichment_target: str, optional
-            Single nuclide name to enrich from a natural composition (e.g., 'O16')
+            Single nuclide name to enrich from a natural composition (e.g.,
+            'O16')
 
             .. versionadded:: 0.12
         enrichment_type: {'ao', 'wo'}, optional
@@ -82,8 +83,8 @@ class Element(str):
         ValueError
             No data is available for any of natural isotopes of the element
         ValueError
-            If only some natural isotopes are available in the cross-section data
-            library and the element is not O, W, or Ta
+            If only some natural isotopes are available in the cross-section
+            data library and the element is not O, W, or Ta
         ValueError
             If a non-naturally-occurring isotope is requested
         ValueError
@@ -101,8 +102,8 @@ class Element(str):
         `ORNL/CSD/TM-244 <https://doi.org/10.2172/5561567>`_ is used to
         calculate the weight fractions of U234, U235, U236, and U238. Namely,
         the weight fraction of U234 and U236 are taken to be 0.89% and 0.46%,
-        respectively, of the U235 weight fraction. The remainder of the
-        isotopic weight is assigned to U238.
+        respectively, of the U235 weight fraction. The remainder of the isotopic
+        weight is assigned to U238.
 
         When the `enrichment` argument is specified with `enrichment_target`, a
         general enrichment procedure is used for elements composed of exactly
@@ -125,10 +126,10 @@ class Element(str):
         # Create dict to store the expanded nuclides and abundances
         abundances = OrderedDict()
 
-        # If cross_sections is None, get the cross sections from the
-        # OPENMC_CROSS_SECTIONS environment variable
+        # If cross_sections is None, get the cross sections from the global
+        # configuration
         if cross_sections is None:
-            cross_sections = os.environ.get('OPENMC_CROSS_SECTIONS')
+            cross_sections = openmc.config.get('cross_sections')
 
         # If a cross_sections library is present, check natural nuclides
         # against the nuclides in the library
diff --git a/openmc/material.py b/openmc/material.py
index ece70df88..96a660b8b 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -1310,9 +1310,8 @@ class Materials(cv.CheckedList):
     """Collection of Materials used for an OpenMC simulation.
 
     This class corresponds directly to the materials.xml input file. It can be
-    thought of as a normal Python list where each member is a
-    :class:`Material`. It behaves like a list as the following example
-    demonstrates:
+    thought of as a normal Python list where each member is a :class:`Material`.
+    It behaves like a list as the following example demonstrates:
 
     >>> fuel = openmc.Material()
     >>> clad = openmc.Material()
@@ -1330,9 +1329,8 @@ class Materials(cv.CheckedList):
     ----------
     cross_sections : str or path-like
         Indicates the path to an XML cross section listing file (usually named
-        cross_sections.xml). If it is not set, the
-        :envvar:`OPENMC_CROSS_SECTIONS` environment variable will be used for
-        continuous-energy calculations and
+        cross_sections.xml). If it is not set, openmc.config['cross_sections']
+        will be used for continuous-energy calculations and
         :envvar:`OPENMC_MG_CROSS_SECTIONS` will be used for multi-group
         calculations to find the path to the HDF5 cross section file.
 
diff --git a/openmc/mgxs_library.py b/openmc/mgxs_library.py
index 67ad151cc..8d6e4bec9 100644
--- a/openmc/mgxs_library.py
+++ b/openmc/mgxs_library.py
@@ -2546,7 +2546,7 @@ class MGXSLibrary:
 
         """
         # If filename is None, get the cross sections from the
-        # OPENMC_CROSS_SECTIONS environment variable
+        # OPENMC_MG_CROSS_SECTIONS environment variable
         if filename is None:
             filename = os.environ.get('OPENMC_MG_CROSS_SECTIONS')
 

From 225e40db0c5da659b2e040fa5fe455e569ee25aa Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 31 Aug 2022 22:23:29 -0500
Subject: [PATCH 0942/2654] Add mg_cross_sections to openmc.config

---
 openmc/config.py       | 11 +++++++++--
 openmc/material.py     |  9 +++++----
 openmc/mgxs_library.py | 13 +++++--------
 3 files changed, 19 insertions(+), 14 deletions(-)

diff --git a/openmc/config.py b/openmc/config.py
index a883c74cc..65b7e0863 100644
--- a/openmc/config.py
+++ b/openmc/config.py
@@ -21,6 +21,9 @@ class _Config(MutableMapping):
             # Force environment variable to match
             self._mapping[key] = Path(value)
             os.environ['OPENMC_CROSS_SECTIONS'] = str(value)
+        elif key == 'mg_cross_sections':
+            self._mapping[key] = Path(value)
+            os.environ['OPENMC_MG_CROSS_SECTIONS'] = str(value)
         elif key == 'chain_file':
             self._mapping[key] = Path(value)
         else:
@@ -40,7 +43,10 @@ class _Config(MutableMapping):
 config = _Config()
 
 # Set cross sections using environment variable
-config['cross_sections'] = os.environ.get("OPENMC_CROSS_SECTIONS")
+if "OPENMC_CROSS_SECTIONS" in os.environ:
+    config['cross_sections'] = os.environ["OPENMC_CROSS_SECTIONS"]
+if "OPENMC_MG_CROSS_SECTIONS" in os.environ:
+    config['mg_cross_sections'] = os.environ["OPENMC_MG_CROSS_SECTIONS"]
 
 # Check for depletion chain in cross_sections.xml
 # Set depletion chain
@@ -51,4 +57,5 @@ if chain_file is None and config['cross_sections'] is not None:
         if lib['type'] == 'depletion_chain':
             chain_file = lib['path']
             break
-config['chain_file'] = chain_file
+if chain_file is not None:
+    config['chain_file'] = chain_file
diff --git a/openmc/material.py b/openmc/material.py
index 96a660b8b..1b2b46a73 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -1329,10 +1329,11 @@ class Materials(cv.CheckedList):
     ----------
     cross_sections : str or path-like
         Indicates the path to an XML cross section listing file (usually named
-        cross_sections.xml). If it is not set, openmc.config['cross_sections']
-        will be used for continuous-energy calculations and
-        :envvar:`OPENMC_MG_CROSS_SECTIONS` will be used for multi-group
-        calculations to find the path to the HDF5 cross section file.
+        cross_sections.xml). If it is not set, the
+        :envvar:`OPENMC_CROSS_SECTIONS` environment variable will be used for
+        continuous-energy calculations and :envvar:`OPENMC_MG_CROSS_SECTIONS`
+        will be used for multi-group calculations to find the path to the HDF5
+        cross section file.
 
     """
 
diff --git a/openmc/mgxs_library.py b/openmc/mgxs_library.py
index 8d6e4bec9..98a99196e 100644
--- a/openmc/mgxs_library.py
+++ b/openmc/mgxs_library.py
@@ -1,6 +1,5 @@
 import copy
 from numbers import Real, Integral
-import os
 
 import h5py
 import numpy as np
@@ -2536,8 +2535,7 @@ class MGXSLibrary:
         ----------
         filename : str, optional
             Name of HDF5 file containing MGXS data. Default is None.
-            If not provided, the value of the OPENMC_MG_CROSS_SECTIONS
-            environmental variable will be used
+            If not provided, openmc.config['mg_cross_sections'] will be used.
 
         Returns
         -------
@@ -2545,15 +2543,14 @@ class MGXSLibrary:
             Multi-group cross section data object.
 
         """
-        # If filename is None, get the cross sections from the
-        # OPENMC_MG_CROSS_SECTIONS environment variable
+        # If filename is None, get the cross sections from openmc.config
         if filename is None:
-            filename = os.environ.get('OPENMC_MG_CROSS_SECTIONS')
+            filename = openmc.config.get('mg_cross_sections')
 
         # Check to make sure there was an environmental variable.
         if filename is None:
-            raise ValueError("Either path or OPENMC_MG_CROSS_SECTIONS "
-                             "environmental variable must be set")
+            raise ValueError("Either path or openmc.config['mg_cross_sections']"
+                             "must be set")
 
         check_type('filename', filename, str)
         file = h5py.File(filename, 'r')

From fb1e92b614adfbafd0567a6bafc3e1adbb4f7990 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 1 Sep 2022 09:37:05 -0500
Subject: [PATCH 0943/2654] Cleanup config namespace

---
 openmc/config.py | 44 ++++++++++++++++++++++++++------------------
 1 file changed, 26 insertions(+), 18 deletions(-)

diff --git a/openmc/config.py b/openmc/config.py
index 65b7e0863..23a355467 100644
--- a/openmc/config.py
+++ b/openmc/config.py
@@ -4,6 +4,8 @@ from pathlib import Path
 
 from openmc.data import DataLibrary
 
+__all__ = ["config"]
+
 
 class _Config(MutableMapping):
     def __init__(self, data=()):
@@ -39,23 +41,29 @@ class _Config(MutableMapping):
         return repr(self._mapping)
 
 
-# Create default configuration
-config = _Config()
+def _default_config():
+    """Return default configuration"""
+    config = _Config()
 
-# Set cross sections using environment variable
-if "OPENMC_CROSS_SECTIONS" in os.environ:
-    config['cross_sections'] = os.environ["OPENMC_CROSS_SECTIONS"]
-if "OPENMC_MG_CROSS_SECTIONS" in os.environ:
-    config['mg_cross_sections'] = os.environ["OPENMC_MG_CROSS_SECTIONS"]
+    # Set cross sections using environment variable
+    if "OPENMC_CROSS_SECTIONS" in os.environ:
+        config['cross_sections'] = os.environ["OPENMC_CROSS_SECTIONS"]
+    if "OPENMC_MG_CROSS_SECTIONS" in os.environ:
+        config['mg_cross_sections'] = os.environ["OPENMC_MG_CROSS_SECTIONS"]
 
-# Check for depletion chain in cross_sections.xml
-# Set depletion chain
-chain_file = os.environ.get("OPENMC_DEPLETE_CHAIN")
-if chain_file is None and config['cross_sections'] is not None:
-    data = DataLibrary.from_xml(config['cross_sections'])
-    for lib in reversed(data.libraries):
-        if lib['type'] == 'depletion_chain':
-            chain_file = lib['path']
-            break
-if chain_file is not None:
-    config['chain_file'] = chain_file
+    # Check for depletion chain in cross_sections.xml
+    # Set depletion chain
+    chain_file = os.environ.get("OPENMC_DEPLETE_CHAIN")
+    if chain_file is None and config['cross_sections'] is not None:
+        data = DataLibrary.from_xml(config['cross_sections'])
+        for lib in reversed(data.libraries):
+            if lib['type'] == 'depletion_chain':
+                chain_file = lib['path']
+                break
+    if chain_file is not None:
+        config['chain_file'] = chain_file
+
+    return config
+
+
+config = _default_config()

From c5012996df45eb1130ee8e7f03f4e1bede4ec1af Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 6 Sep 2022 16:00:51 -0500
Subject: [PATCH 0944/2654] Handle missing files in openmc.config

---
 openmc/config.py | 23 ++++++++++++++++++-----
 1 file changed, 18 insertions(+), 5 deletions(-)

diff --git a/openmc/config.py b/openmc/config.py
index 23a355467..08b8c3cb6 100644
--- a/openmc/config.py
+++ b/openmc/config.py
@@ -1,6 +1,7 @@
 from collections.abc import MutableMapping
 import os
 from pathlib import Path
+import warnings
 
 from openmc.data import DataLibrary
 
@@ -17,17 +18,21 @@ class _Config(MutableMapping):
 
     def __delitem__(self, key):
         del self._mapping[key]
+        if key == 'cross_sections':
+            del os.environ['OPENMC_CROSS_SECTIONS']
+        elif key == 'mg_cross_sections':
+            del os.environ['OPENMC_MG_CROSS_SECTIONS']
 
     def __setitem__(self, key, value):
         if key == 'cross_sections':
             # Force environment variable to match
-            self._mapping[key] = Path(value)
+            self._set_path(key, value)
             os.environ['OPENMC_CROSS_SECTIONS'] = str(value)
         elif key == 'mg_cross_sections':
-            self._mapping[key] = Path(value)
+            self._set_path(key, value)
             os.environ['OPENMC_MG_CROSS_SECTIONS'] = str(value)
         elif key == 'chain_file':
-            self._mapping[key] = Path(value)
+            self._set_path(key, value)
         else:
             raise KeyError(f'Unrecognized config key: {key}')
 
@@ -40,6 +45,11 @@ class _Config(MutableMapping):
     def __repr__(self):
         return repr(self._mapping)
 
+    def _set_path(self, key, value):
+        self._mapping[key] = p = Path(value)
+        if not p.exists():
+            warnings.warn(f"'{value}' does not exist.")
+
 
 def _default_config():
     """Return default configuration"""
@@ -51,10 +61,13 @@ def _default_config():
     if "OPENMC_MG_CROSS_SECTIONS" in os.environ:
         config['mg_cross_sections'] = os.environ["OPENMC_MG_CROSS_SECTIONS"]
 
-    # Check for depletion chain in cross_sections.xml
     # Set depletion chain
     chain_file = os.environ.get("OPENMC_DEPLETE_CHAIN")
-    if chain_file is None and config['cross_sections'] is not None:
+    if (chain_file is None and
+        config['cross_sections'] is not None and
+        config['cross_sections'].exists()
+    ):
+        # Check for depletion chain in cross_sections.xml
         data = DataLibrary.from_xml(config['cross_sections'])
         for lib in reversed(data.libraries):
             if lib['type'] == 'depletion_chain':

From 8f20c20af045267ee6729eeedd0b3c75243472f4 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 6 Sep 2022 16:01:46 -0500
Subject: [PATCH 0945/2654] Move cross_sections.rst to data.rst and rename
 section header

---
 docs/source/usersguide/{cross_sections.rst => data.rst} | 8 ++++----
 docs/source/usersguide/index.rst                        | 2 +-
 2 files changed, 5 insertions(+), 5 deletions(-)
 rename docs/source/usersguide/{cross_sections.rst => data.rst} (99%)

diff --git a/docs/source/usersguide/cross_sections.rst b/docs/source/usersguide/data.rst
similarity index 99%
rename from docs/source/usersguide/cross_sections.rst
rename to docs/source/usersguide/data.rst
index 0cbb581bd..6a135df76 100644
--- a/docs/source/usersguide/cross_sections.rst
+++ b/docs/source/usersguide/data.rst
@@ -1,8 +1,8 @@
-.. _usersguide_cross_sections:
+.. _usersguide_data:
 
-===========================
-Cross Section Configuration
-===========================
+==================
+Data Configuration
+==================
 
 In order to run a simulation with OpenMC, you will need cross section data for
 each nuclide or material in your problem. OpenMC can be run in continuous-energy
diff --git a/docs/source/usersguide/index.rst b/docs/source/usersguide/index.rst
index fab353c77..511bdc6ce 100644
--- a/docs/source/usersguide/index.rst
+++ b/docs/source/usersguide/index.rst
@@ -13,7 +13,7 @@ essential aspects of using OpenMC to perform simulations.
 
     beginners
     install
-    cross_sections
+    data
     basics
     materials
     geometry

From 683910aba4fb0ad106752e0ea94f79522be38b40 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 7 Sep 2022 16:09:21 -0500
Subject: [PATCH 0946/2654] Discuss openmc.config in user's guide

---
 docs/source/usersguide/data.rst | 154 ++++++++++++++++++++++----------
 1 file changed, 109 insertions(+), 45 deletions(-)

diff --git a/docs/source/usersguide/data.rst b/docs/source/usersguide/data.rst
index 6a135df76..fccc93940 100644
--- a/docs/source/usersguide/data.rst
+++ b/docs/source/usersguide/data.rst
@@ -4,49 +4,93 @@
 Data Configuration
 ==================
 
-In order to run a simulation with OpenMC, you will need cross section data for
-each nuclide or material in your problem. OpenMC can be run in continuous-energy
-or multi-group mode.
+OpenMC relies on a variety of physical data in order to carry out transport
+simulations, depletion simulations, and other common tasks. As a user, you are
+responsible for specifying one or more of the following:
 
-In continuous-energy mode, OpenMC uses a native `HDF5
-<https://support.hdfgroup.org/HDF5/>`_ format (see :ref:`io_nuclear_data`) to
-store all nuclear data. Pregenerated HDF5 libraries can be found at
-https://openmc.org; unless you have specific data needs, it is highly
-recommended to use one of the pregenerated libraries. Alternatively, if you have
-ACE format data that was produced with NJOY_, such as that distributed with
-MCNP_ or Serpent_, it can be converted to the HDF5 format using the :ref:`using
-the Python API <create_xs_library>`. Several sources provide openly available
-ACE data including the `ENDF/B`_, JEFF_, and TENDL_ libraries as well as the
-`LANL Nuclear Data Team <https://nucleardata.lanl.gov/>`_. In addition to
-tabulated cross sections in the HDF5 files, OpenMC relies on :ref:`windowed
-multipole <windowed_multipole>` data to perform on-the-fly Doppler broadening.
+- **Cross sections (XML)** -- A :ref:`cross sections XML <io_cross_sections>`
+  file (commonly named ``cross_sections.xml``) contains a listing of other data
+  files, in particular neutron cross sections, photon cross sections, and
+  windowed multipole data. Each of those files, in turn, uses a `HDF5
+  <https://support.hdfgroup.org/HDF5/>`_ format (see :ref:`io_nuclear_data`). In
+  order to run transport simulations with continuous-energy cross sections, you
+  need to specify this file.
 
-In multi-group mode, OpenMC utilizes an HDF5-based library format which can be
-used to describe nuclide- or material-specific quantities.
+- **Depletion chain (XML)** -- A :ref:`depletion chain XML <io_depletion_chain>`
+  file contains decay data, fission product yields, and information on what
+  neutron reactions can result in transmutation. This file is needed for
+  depletion/activation calculations as well as some basic functions in the
+  :mod:`openmc.data` module.
+
+- **Multigroup cross sections (HDF5)** -- OpenMC can also perform transport
+  simulations using multigroup data. In this case, multigroup cross sections are
+  stored in a single :ref:`HDF5 file <io_mgxs_library>`. Thus, in order to run a
+  multigroup transport simulation, this file needs to be specified.
+
+Each of the above files can specified in several ways. In the Python API, a
+:ref:`runtime configuration variable <usersguide_data_runtime>`
+:data:`openmc.config` can be used to specify any of the above. Alternatively,
+you can specify these files using a set of :ref:`environment variables
+<usersguide_data_envvar>`.
+
+.. _usersguide_data_runtime:
+
+---------------------
+Runtime Configuration
+---------------------
+
+Data sources for OpenMC can be specified at runtime in Python using the
+:data:`openmc.config` variable. This variable acts like a dictionary and stores
+key-values pairs, where the values are file paths (strings or path-like objects)
+and the key can be one of the following:
+
+``"cross_sections"``
+  Indicates the path to the :ref:`cross sections XML <io_cross_sections>` file
+  that lists HDF5 format neutron cross sections, photon cross sections, and
+  windowed multipole data. Note that the :attr:`openmc.Materials.cross_sections`
+  attribute will override this, if specified.
+
+``"chain_file"``
+  Indicates the path to the :ref:`depletion chain XML <io_depletion_chain>` file
+  that contains decay data, fission product yields, and what neutron reactions
+  may result in transmutation of a target nuclide.
+
+``"mg_cross_sections"``
+  Indicates the path to an :ref:`HDF5 file <io_mgxs_library>` that contains
+  multigroup cross sections. Note that the
+  :attr:`openmc.Materials.cross_sections` attribute will override this if
+  specified.
+
+At the time the :mod:`openmc` Python module is imported, the
+:data:`openmc.config` dictionary will be initialized using a set of
+:ref:`environment variable <usersguide_data_envvar>`.
+
+.. _usersguide_data_envvar:
 
 ---------------------
 Environment Variables
 ---------------------
 
-When :ref:`scripts_openmc` is run, it will look for several environment
-variables that indicate where cross sections can be found. While the location of
-cross sections can also be indicated through the
-:attr:`openmc.Materials.cross_sections` attribute (or in the :ref:`materials.xml
-<io_materials>` file), if you always use the same set of cross section data, it
-is often easier to just set an environment variable that will be picked up by
-default every time OpenMC is run. The following environment variables are used:
+In addition to the :ref:`runtime configuration <usersguide_data_runtime>`, data
+sources can be specified using a set of environment variables. The following
+environment variables are recognized by OpenMC:
 
 :envvar:`OPENMC_CROSS_SECTIONS`
-  Indicates the path to the :ref:`cross_sections.xml <io_cross_sections>`
-  summary file that is used to locate HDF5 format cross section libraries if the
-  user has not specified :attr:`openmc.Materials.cross_sections` (equivalently,
-  the :ref:`cross_sections` in :ref:`materials.xml <io_materials>`).
+  Indicates the path to the :ref:`cross sections XML <io_cross_sections>` file
+  that lists HDF5 format neutron cross sections, photon cross sections, and
+  windowed multipole data. Note that the :attr:`openmc.Materials.cross_sections`
+  attribute will override this if specified.
+
+:envvar:`OPENMC_CHAIN_FILE`
+  Indicates the path to the :ref:`depletion chain XML <io_depletion_chain>` file
+  that contains decay data, fission product yields, and what neutron reactions
+  may result in transmutation of a target nuclide.
 
 :envvar:`OPENMC_MG_CROSS_SECTIONS`
   Indicates the path to an :ref:`HDF5 file <io_mgxs_library>` that contains
-  multi-group cross sections if the user has not specified
-  :attr:`openmc.Materials.cross_sections` (equivalently, the
-  :ref:`cross_sections` in :ref:`materials.xml <io_materials>`).
+  multigroup cross sections. Note that the
+  :attr:`openmc.Materials.cross_sections` attribute will override this if
+  specified.
 
 To set these environment variables persistently, export them from your shell
 profile (``.profile`` or ``.bashrc`` in bash_).
@@ -61,12 +105,13 @@ Using Pregenerated Libraries
 ----------------------------
 
 Various evaluated nuclear data libraries have been processed into the HDF5
-format required by OpenMC and can be found at https://openmc.org. You
-can find both libraries generated by the OpenMC development team as well as
-libraries based on ACE files distributed elsewhere. To use these libraries,
-download the archive file, unpack it, and then set your
-:envvar:`OPENMC_CROSS_SECTIONS` environment variable to the absolute path of
-the ``cross_sections.xml`` file contained in the unpacked directory.
+format required by OpenMC and can be found at https://openmc.org. Unless you
+have specific data needs, it is highly recommended to use one of the
+pregenerated libraries. You can find both libraries generated by the OpenMC
+development team as well as libraries based on ACE files distributed elsewhere.
+To use these libraries, download the archive file, unpack it, and then specify
+the path of the ``cross_sections.xml`` file contained in the unpacked directory
+as described in :ref:`usersguide_data_runtime`.
 
 .. _create_xs_library:
 
@@ -75,6 +120,12 @@ Manually Creating a Library from ACE files
 
 .. currentmodule:: openmc.data
 
+If you have ACE format data that was produced with NJOY_, such as that
+distributed with MCNP_ or Serpent_, it can be converted to the HDF5 format using
+the using the Python API. Several sources provide openly available ACE data
+including the `ENDF/B`_, JEFF_, and TENDL_ libraries as well as the `LANL
+Nuclear Data Team <https://nucleardata.lanl.gov/>`_.
+
 The :mod:`openmc.data` module in the Python API enables users to directly
 convert ACE data to OpenMC's HDF5 format and create a corresponding
 :ref:`cross_sections.xml <io_cross_sections>` file. For those who prefer to use
@@ -224,6 +275,19 @@ relaxation sublibrary files are required:
 Once the HDF5 files have been generated, a library can be created using the
 :class:`DataLibrary` class as described in :ref:`create_xs_library`.
 
+-----------
+Chain Files
+-----------
+
+Pregenerated depletion chain XML files can be found at https://openmc.org.
+Additionally, depletion chains can be generated using the
+:class:`openmc.deplete.Chain` class. In particular, the
+:meth:`~openmc.deplete.Chain.from_endf` method allows a chain to be generated
+starting from a set of ENDF incident neutron, decay, and fission product yield
+sublibrary files. Once you've downloaded or generated a depletion chain XML
+file, make sure to specify its path as described in
+:ref:`usersguide_data_runtime`.
+
 -----------------------
 Windowed Multipole Data
 -----------------------
@@ -241,16 +305,16 @@ The `official ENDF/B-VII.1 HDF5 library
 multipole library, so if you are using this library, the windowed multipole data
 will already be available to you.
 
---------------------------
-Multi-Group Cross Sections
---------------------------
+-------------------------
+Multigroup Cross Sections
+-------------------------
 
-Multi-group cross section libraries are generally tailored to the specific
+Multigroup cross section libraries are generally tailored to the specific
 calculation to be performed.  Therefore, at this point in time, OpenMC is not
-distributed with any pre-existing multi-group cross section libraries.
-However, if  obtained or generated their own library, the user
-should set the :envvar:`OPENMC_MG_CROSS_SECTIONS` environment variable
-to the absolute path of the file library expected to used most frequently.
+distributed with any pre-existing multi-group cross section libraries. However,
+if  obtained or generated their own library, the user should set the
+:envvar:`OPENMC_MG_CROSS_SECTIONS` environment variable to the absolute path of
+the file library expected to used most frequently.
 
 For an example of how to create a multi-group library, see the `example notebook
 <../examples/mg-mode-part-i.ipynb>`__.

From ab6f9247cafc4689399f41bd9c07a71289c1b396 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 7 Sep 2022 16:14:35 -0500
Subject: [PATCH 0947/2654] Remove specific section on environment variables

---
 docs/source/usersguide/data.rst | 64 ++++++++++-----------------------
 1 file changed, 18 insertions(+), 46 deletions(-)

diff --git a/docs/source/usersguide/data.rst b/docs/source/usersguide/data.rst
index fccc93940..48003ecb7 100644
--- a/docs/source/usersguide/data.rst
+++ b/docs/source/usersguide/data.rst
@@ -29,9 +29,8 @@ responsible for specifying one or more of the following:
 
 Each of the above files can specified in several ways. In the Python API, a
 :ref:`runtime configuration variable <usersguide_data_runtime>`
-:data:`openmc.config` can be used to specify any of the above. Alternatively,
-you can specify these files using a set of :ref:`environment variables
-<usersguide_data_envvar>`.
+:data:`openmc.config` can be used to specify any of the above and is initialized
+using a set of environment variables.
 
 .. _usersguide_data_runtime:
 
@@ -47,53 +46,28 @@ and the key can be one of the following:
 ``"cross_sections"``
   Indicates the path to the :ref:`cross sections XML <io_cross_sections>` file
   that lists HDF5 format neutron cross sections, photon cross sections, and
-  windowed multipole data. Note that the :attr:`openmc.Materials.cross_sections`
-  attribute will override this, if specified.
+  windowed multipole data. At startup, this is initialized with the value of the
+  :envvar:`OPENMC_CROSS_SECTIONS` environment variable. Note that the
+  :attr:`openmc.Materials.cross_sections` attribute will override this, if
+  specified.
 
 ``"chain_file"``
   Indicates the path to the :ref:`depletion chain XML <io_depletion_chain>` file
   that contains decay data, fission product yields, and what neutron reactions
-  may result in transmutation of a target nuclide.
+  may result in transmutation of a target nuclide. At startup, this is
+  initialized with the value of the :envvar:`OPENMC_CHAIN_FILE` environment
+  variable.
 
 ``"mg_cross_sections"``
   Indicates the path to an :ref:`HDF5 file <io_mgxs_library>` that contains
-  multigroup cross sections. Note that the
+  multigroup cross sections. At startup, this is initialized with the value of
+  the :envvar:`OPENMC_MG_CROSS_SECTIONS` environment variable. Note that the
   :attr:`openmc.Materials.cross_sections` attribute will override this if
   specified.
 
-At the time the :mod:`openmc` Python module is imported, the
-:data:`openmc.config` dictionary will be initialized using a set of
-:ref:`environment variable <usersguide_data_envvar>`.
-
-.. _usersguide_data_envvar:
-
----------------------
-Environment Variables
----------------------
-
-In addition to the :ref:`runtime configuration <usersguide_data_runtime>`, data
-sources can be specified using a set of environment variables. The following
-environment variables are recognized by OpenMC:
-
-:envvar:`OPENMC_CROSS_SECTIONS`
-  Indicates the path to the :ref:`cross sections XML <io_cross_sections>` file
-  that lists HDF5 format neutron cross sections, photon cross sections, and
-  windowed multipole data. Note that the :attr:`openmc.Materials.cross_sections`
-  attribute will override this if specified.
-
-:envvar:`OPENMC_CHAIN_FILE`
-  Indicates the path to the :ref:`depletion chain XML <io_depletion_chain>` file
-  that contains decay data, fission product yields, and what neutron reactions
-  may result in transmutation of a target nuclide.
-
-:envvar:`OPENMC_MG_CROSS_SECTIONS`
-  Indicates the path to an :ref:`HDF5 file <io_mgxs_library>` that contains
-  multigroup cross sections. Note that the
-  :attr:`openmc.Materials.cross_sections` attribute will override this if
-  specified.
-
-To set these environment variables persistently, export them from your shell
-profile (``.profile`` or ``.bashrc`` in bash_).
+If you want to persistently set the environment variables used to initialized
+the configuration, export them from your shell profile (``.profile`` or
+``.bashrc`` in bash_).
 
 .. _bash: http://www.linuxfromscratch.org/blfs/view/6.3/postlfs/profile.html
 
@@ -311,12 +285,10 @@ Multigroup Cross Sections
 
 Multigroup cross section libraries are generally tailored to the specific
 calculation to be performed.  Therefore, at this point in time, OpenMC is not
-distributed with any pre-existing multi-group cross section libraries. However,
-if  obtained or generated their own library, the user should set the
-:envvar:`OPENMC_MG_CROSS_SECTIONS` environment variable to the absolute path of
-the file library expected to used most frequently.
-
-For an example of how to create a multi-group library, see the `example notebook
+distributed with any pre-existing multigroup cross section libraries. However,
+if a multigroup library file is downloaded or generated, the path to the file
+needs to be specified as described in :ref:`usersguide_data_runtime`. For an
+example of how to create a multigroup library, see the `example notebook
 <../examples/mg-mode-part-i.ipynb>`__.
 
 .. _NJOY: http://www.njoy21.io/

From 35930e0422426ee972b8ddfc6a9147288afb7d37 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 7 Sep 2022 16:36:33 -0500
Subject: [PATCH 0948/2654] Add tests for openmc.config

---
 openmc/config.py                |  3 ++-
 tests/unit_tests/test_config.py | 43 +++++++++++++++++++++++++++++++++
 2 files changed, 45 insertions(+), 1 deletion(-)
 create mode 100644 tests/unit_tests/test_config.py

diff --git a/openmc/config.py b/openmc/config.py
index 08b8c3cb6..fe7c5aa06 100644
--- a/openmc/config.py
+++ b/openmc/config.py
@@ -33,6 +33,7 @@ class _Config(MutableMapping):
             os.environ['OPENMC_MG_CROSS_SECTIONS'] = str(value)
         elif key == 'chain_file':
             self._set_path(key, value)
+            os.environ['OPENMC_CHAIN_FILE'] = str(value)
         else:
             raise KeyError(f'Unrecognized config key: {key}')
 
@@ -62,7 +63,7 @@ def _default_config():
         config['mg_cross_sections'] = os.environ["OPENMC_MG_CROSS_SECTIONS"]
 
     # Set depletion chain
-    chain_file = os.environ.get("OPENMC_DEPLETE_CHAIN")
+    chain_file = os.environ.get("OPENMC_CHAIN_FILE")
     if (chain_file is None and
         config['cross_sections'] is not None and
         config['cross_sections'].exists()
diff --git a/tests/unit_tests/test_config.py b/tests/unit_tests/test_config.py
new file mode 100644
index 000000000..1d3c0f173
--- /dev/null
+++ b/tests/unit_tests/test_config.py
@@ -0,0 +1,43 @@
+from collections.abc import Mapping
+import os
+
+import openmc
+import pytest
+
+
+@pytest.fixture(autouse=True, scope='module')
+def reset_config():
+    config = dict(openmc.config)
+    try:
+        yield
+    finally:
+        openmc.config.clear()
+        openmc.config.update(config)
+
+
+def test_config_basics():
+    assert isinstance(openmc.config, Mapping)
+    for key, value in openmc.config.items():
+        assert isinstance(key, str)
+        assert isinstance(value, os.PathLike)
+
+    # Set and delete
+    openmc.config['cross_sections'] = '/path/to/cross_sections.xml'
+    del openmc.config['cross_sections']
+    assert 'cross_sections' not in openmc.config
+    assert 'OPENMC_CROSS_SECTIONS' not in os.environ
+
+    # Can't use any key
+    with pytest.raises(KeyError):
+        openmc.config['🐖'] = '/like/to/eat/bacon'
+
+
+def test_config_set_envvar():
+    openmc.config['cross_sections'] = '/path/to/cross_sections.xml'
+    assert os.environ['OPENMC_CROSS_SECTIONS'] == '/path/to/cross_sections.xml'
+
+    openmc.config['mg_cross_sections'] = '/path/to/mg_cross_sections.h5'
+    assert os.environ['OPENMC_MG_CROSS_SECTIONS'] == '/path/to/mg_cross_sections.h5'
+
+    openmc.config['chain_file'] = '/path/to/chain_file.xml'
+    assert os.environ['OPENMC_CHAIN_FILE'] == '/path/to/chain_file.xml'

From 2afefba206769cee22acab1abfd860030c8834f5 Mon Sep 17 00:00:00 2001
From: josh <josh@radiantnuclear.com>
Date: Thu, 8 Sep 2022 00:04:05 +0000
Subject: [PATCH 0949/2654] deepcopy method for FissionYield class

---
 openmc/deplete/nuclide.py | 11 ++++++++---
 1 file changed, 8 insertions(+), 3 deletions(-)

diff --git a/openmc/deplete/nuclide.py b/openmc/deplete/nuclide.py
index 7b6ddd788..962e3e6d6 100644
--- a/openmc/deplete/nuclide.py
+++ b/openmc/deplete/nuclide.py
@@ -13,7 +13,7 @@ try:
 except ImportError:
     import xml.etree.ElementTree as ET
 
-from numpy import empty, searchsorted
+import numpy as np
 
 from openmc.checkvalue import check_type
 
@@ -470,7 +470,7 @@ class FissionYieldDistribution(Mapping):
         shared_prod = set.union(*(set(x) for x in fission_yields.values()))
         ordered_prod = sorted(shared_prod)
 
-        yield_matrix = empty((len(energies), len(shared_prod)))
+        yield_matrix = np.empty((len(energies), len(shared_prod)))
 
         for g_index, energy in enumerate(energies):
             prod_map = fission_yields[energy]
@@ -560,7 +560,7 @@ class FissionYieldDistribution(Mapping):
             return None
 
         products = sorted(overlap)
-        indices = searchsorted(self.products, products)
+        indices = np.searchsorted(self.products, products)
 
         # coerce back to dictionary to pass back to __init__
         new_yields = {}
@@ -681,6 +681,11 @@ class FissionYield(Mapping):
         return "<{} containing {} products and yields>".format(
             self.__class__.__name__, len(self))
 
+    def __deepcopy__(self, memo):
+        result = FissionYield(self.products, np.copy(self.yields))
+        memo[id(self)] = result
+        return result
+
     # Avoid greedy numpy operations like np.float64 * fission_yield
     # converting this to an array on the fly. Force __rmul__ and
     # __radd__. See issue #1492

From 3c7483becbadeb5fc4323137ea30500f66f9e8c0 Mon Sep 17 00:00:00 2001
From: josh <josh@radiantnuclear.com>
Date: Thu, 8 Sep 2022 02:08:18 +0000
Subject: [PATCH 0950/2654] Add a simple unittest for the FissionYield deepcopy

---
 tests/unit_tests/test_deplete_nuclide.py | 13 ++++++++++++-
 1 file changed, 12 insertions(+), 1 deletion(-)

diff --git a/tests/unit_tests/test_deplete_nuclide.py b/tests/unit_tests/test_deplete_nuclide.py
index 705beb32a..e73af6955 100644
--- a/tests/unit_tests/test_deplete_nuclide.py
+++ b/tests/unit_tests/test_deplete_nuclide.py
@@ -1,7 +1,7 @@
 """Tests for the openmc.deplete.Nuclide class."""
 
 import xml.etree.ElementTree as ET
-
+import copy
 import numpy as np
 import pytest
 from openmc.deplete import nuclide
@@ -335,3 +335,14 @@ def test_validate():
     assert "decay mode" in record[0].message.args[0]
     assert "0 reaction" in record[1].message.args[0]
     assert "1.0" in record[2].message.args[0]
+
+
+def test_deepcopy():
+    """Test deepcopying a FissionYield object"""
+    nuc = nuclide.FissionYield(products=("I129", "Sm149", "Xe135"), yields=np.array((0.001, 0.0003, 0.002)))
+    copied_nuc = copy.deepcopy(nuc)
+    # Check the deepcopy equals the original
+    assert copied_nuc == nuc
+    # Mutate the original and verify the copy remains intact
+    nuc *= 2
+    assert copied_nuc != nuc
\ No newline at end of file

From fbce363784e2b9d4b95c246317bccc2230f18703 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Wed, 7 Sep 2022 23:05:15 -0500
Subject: [PATCH 0951/2654] Using a separate dictionary for interpolation
 values

---
 include/openmc/interpolate.h                    |  3 +++
 openmc/data/function.py                         |  2 +-
 openmc/filter.py                                | 10 +++++++---
 tests/regression_tests/filter_energyfun/test.py |  2 --
 4 files changed, 11 insertions(+), 6 deletions(-)

diff --git a/include/openmc/interpolate.h b/include/openmc/interpolate.h
index 2764b7ffc..d02d87ff2 100644
--- a/include/openmc/interpolate.h
+++ b/include/openmc/interpolate.h
@@ -61,6 +61,9 @@ inline double interpolate(const std::vector<double>& xs,
 {
   int idx = lower_bound_index(xs.begin(), xs.end(), x);
 
+  if (idx == xs.size())
+    idx--;
+
   switch (i) {
   case Interpolation::lin_lin:
     return interpolate_lin_lin(xs[idx], xs[idx + 1], ys[idx], ys[idx + 1], x);
diff --git a/openmc/data/function.py b/openmc/data/function.py
index 59f549d6f..b0390d19c 100644
--- a/openmc/data/function.py
+++ b/openmc/data/function.py
@@ -13,7 +13,7 @@ from openmc.mixin import EqualityMixin
 from .data import EV_PER_MEV
 
 INTERPOLATION_SCHEME = {1: 'histogram', 2: 'linear-linear', 3: 'linear-log',
-                        4: 'log-linear', 5: 'log-log', 6 : 'quadratic', 7 : 'cubic'}
+                        4: 'log-linear', 5: 'log-log'}
 
 
 def sum_functions(funcs):
diff --git a/openmc/filter.py b/openmc/filter.py
index 8b0c84c7e..c1ce573c9 100644
--- a/openmc/filter.py
+++ b/openmc/filter.py
@@ -12,7 +12,6 @@ import pandas as pd
 import openmc
 import openmc.checkvalue as cv
 from .cell import Cell
-from .data.function import INTERPOLATION_SCHEME
 from .material import Material
 from .mixin import IDManagerMixin
 from .surface import Surface
@@ -1896,6 +1895,11 @@ class EnergyFunctionFilter(Filter):
 
     """
 
+    # keys selected to match those in function.py where possible
+    INTERPOLATION_SCHEMES = {2: 'linear-linear', 3: 'linear-log',
+                             4: 'log-linear', 5: 'log-log',
+                             6 : 'quadratic', 7 : 'cubic'}
+
     def __init__(self, energy, y, interpolation='linear-linear', filter_id=None):
         self.energy = energy
         self.y = y
@@ -1963,7 +1967,7 @@ class EnergyFunctionFilter(Filter):
         out = cls(energy, y, filter_id=filter_id)
         if 'interpolation' in group:
             out.interpolation =  \
-                openmc.data.INTERPOLATION_SCHEME[group['interpolation'][()]]
+                cls.INTERPOLATION_SCHEMES[group['interpolation'][()]]
 
         return out
 
@@ -2053,7 +2057,7 @@ class EnergyFunctionFilter(Filter):
     @interpolation.setter
     def interpolation(self, val):
         cv.check_type('interpolation', val, str)
-        cv.check_value('interpolation', val, INTERPOLATION_SCHEME.values())
+        cv.check_value('interpolation', val, self.INTERPOLATION_SCHEMES.values())
         self._interpolation = val
 
     def to_xml_element(self):
diff --git a/tests/regression_tests/filter_energyfun/test.py b/tests/regression_tests/filter_energyfun/test.py
index c297c094a..9c2be7be3 100644
--- a/tests/regression_tests/filter_energyfun/test.py
+++ b/tests/regression_tests/filter_energyfun/test.py
@@ -73,9 +73,7 @@ class FilterEnergyFunHarness(PyAPITestHarness):
         br_tally = sp.tallies[2] / sp.tallies[1]
         dataframes_string += br_tally.get_pandas_dataframe().to_string() + '\n'
 
-
         for t_id in (3, 4, 5):
-            # Write out the log-log interpolation as well
             ef_tally = sp.tallies[t_id]
             dataframes_string += ef_tally.get_pandas_dataframe().to_string() + '\n'
 

From a7abe84b380450bc5e40e9199c026292a5b9de3b Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 8 Sep 2022 09:35:03 -0500
Subject: [PATCH 0952/2654] Fix openmc.config when OPENMC_CROSS_SECTIONS is not
 set

---
 openmc/config.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/config.py b/openmc/config.py
index fe7c5aa06..628df7edc 100644
--- a/openmc/config.py
+++ b/openmc/config.py
@@ -65,7 +65,7 @@ def _default_config():
     # Set depletion chain
     chain_file = os.environ.get("OPENMC_CHAIN_FILE")
     if (chain_file is None and
-        config['cross_sections'] is not None and
+        config.get('cross_sections') is not None and
         config['cross_sections'].exists()
     ):
         # Check for depletion chain in cross_sections.xml

From a95f4cc0d73bbb4b4c025d92caa66d9e5fddd632 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 8 Sep 2022 10:50:09 -0500
Subject: [PATCH 0953/2654] Remove use of _find_chain_file in
 test_deplete_operator.py

---
 tests/unit_tests/test_deplete_operator.py | 31 +++--------------------
 1 file changed, 4 insertions(+), 27 deletions(-)

diff --git a/tests/unit_tests/test_deplete_operator.py b/tests/unit_tests/test_deplete_operator.py
index 5fe8715ac..6ea89fc4a 100644
--- a/tests/unit_tests/test_deplete_operator.py
+++ b/tests/unit_tests/test_deplete_operator.py
@@ -1,37 +1,15 @@
 """Basic unit tests for openmc.deplete.Operator instantiation
 
-Modifies and resets environment variable OPENMC_CROSS_SECTIONS
-to a custom file with new depletion_chain node
 """
 
 from pathlib import Path
 
-import pytest
 from openmc.deplete.abc import TransportOperator
-from openmc.deplete.chain import Chain, _find_chain_file
+from openmc.deplete.chain import Chain
 
-BARE_XS_FILE = "bare_cross_sections.xml"
 CHAIN_PATH = Path(__file__).parents[1] / "chain_simple.xml"
 
 
-@pytest.fixture()
-def bare_xs(run_in_tmpdir):
-    """Create a very basic cross_sections file, return simple Chain.
-
-    """
-
-    bare_xs_contents = """<?xml version="1.0"?>
-<cross_sections>
-  <depletion_chain path="{}" />
-</cross_sections>
-""".format(CHAIN_PATH)
-
-    with open(BARE_XS_FILE, "w") as out:
-        out.write(bare_xs_contents)
-
-    yield BARE_XS_FILE
-
-
 class BareDepleteOperator(TransportOperator):
     """Very basic class for testing the initialization."""
 
@@ -52,10 +30,10 @@ class BareDepleteOperator(TransportOperator):
         pass
 
 
-def test_operator_init(bare_xs):
+def test_operator_init():
     """The test uses a temporary dummy chain. This file will be removed
     at the end of the test, and only contains a depletion_chain node."""
-    bare_op = BareDepleteOperator(_find_chain_file(bare_xs))
+    bare_op = BareDepleteOperator(CHAIN_PATH)
     act_chain = bare_op.chain
     ref_chain = Chain.from_xml(CHAIN_PATH)
     assert len(act_chain) == len(ref_chain)
@@ -73,8 +51,7 @@ def test_operator_init(bare_xs):
 def test_operator_fiss_q():
     """Make sure fission q values can be set"""
     new_q = {"U235": 2.0E8, "U238": 2.0E8, "U234": 5.0E7}
-    chain_file = Path(__file__).parents[1] / "chain_simple.xml"
-    operator = BareDepleteOperator(chain_file=chain_file, fission_q=new_q)
+    operator = BareDepleteOperator(chain_file=CHAIN_PATH, fission_q=new_q)
     mod_chain = operator.chain
     for name, q in new_q.items():
         chain_nuc = mod_chain[name]

From 9127ff4f5ecacd46692784f1a75e490490d1b3f2 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 8 Sep 2022 11:24:08 -0500
Subject: [PATCH 0954/2654] [WIP] started region refactor

---
 include/openmc/cell.h | 40 ++++++++++++++++++++++++++++++++++++++--
 src/cell.cpp          |  7 +++++--
 2 files changed, 43 insertions(+), 4 deletions(-)

diff --git a/include/openmc/cell.h b/include/openmc/cell.h
index 817196727..fcce520fe 100644
--- a/include/openmc/cell.h
+++ b/include/openmc/cell.h
@@ -52,8 +52,41 @@ extern vector<unique_ptr<Cell>> cells;
 } // namespace model
 
 //==============================================================================
+
+// TODO: Maybe not, just move this inline to Region::bounding_box() for complex
+// case
+class RegionPostfix {
+public:
+  BoundingBox bounding_box() const;
+};
+
+class Region {
+public:
+  Region() {}
+  explicit Region(std::string region_expression);
+
+  void add_precedence();
+  std::string str() const;
+  BoundingBox bounding_box() const;
+  bool contains(Position r, Direction u, int32_t on_surface) const;
+
+  RegionPostfix to_postfix() const;
+
+private:
+  void add_parentheses();
+  void apply_demorgan(
+    vector<int32_t>::iterator start, vector<int32_t>::iterator stop);
+
+  //! Definition of spatial region as Boolean expression of half-spaces
+  // TODO: Should this be a vector of some other type
+  vector<int32_t> tokens_;
+  bool simple_; //!< Does the region contain only intersections?
+};
+
 //==============================================================================
 
+// TODO: Think about what data members really need to live in this class versus
+// putting them in the Region class
 class Cell {
 public:
   //----------------------------------------------------------------------------
@@ -198,9 +231,9 @@ public:
   //! T. The units are sqrt(eV).
   vector<double> sqrtkT_;
 
+  // TODO: Probably move this guy to CSGCell
   //! Definition of spatial region as Boolean expression of half-spaces
-  vector<int32_t> region_;
-  bool simple_; //!< Does the region contain only intersections?
+  Region region_;
 
   //! \brief Neighboring cells in the same universe.
   NeighborList neighbors_;
@@ -263,6 +296,9 @@ protected:
   //! \param rpn The rpn being searched
   static vector<int32_t>::iterator find_left_parenthesis(
     vector<int32_t>::iterator start, const vector<int32_t>& rpn);
+
+private:
+  Region region_;
 };
 
 //==============================================================================
diff --git a/src/cell.cpp b/src/cell.cpp
index 4ff35498c..4eb0fa0b9 100644
--- a/src/cell.cpp
+++ b/src/cell.cpp
@@ -43,6 +43,7 @@ vector<unique_ptr<Cell>> cells;
 //! operators.
 //==============================================================================
 
+// TODO: Move this to be Region::Region(...)
 vector<int32_t> tokenize(const std::string region_spec)
 {
   // Check for an empty region_spec first.
@@ -183,7 +184,8 @@ void add_precedence(std::vector<int32_t>& infix)
         // Set the current operator if is hasn't been set
         current_op = token;
       } else if (token != current_op) {
-        // If the current operator doesn't match the token, add parenthesis to assert precedence
+        // If the current operator doesn't match the token, add parenthesis to
+        // assert precedence
         it = add_parentheses(it, infix);
         current_op = 0;
       }
@@ -586,7 +588,7 @@ CSGCell::CSGCell(pugi::xml_node cell_node)
 
   // Get a tokenized representation of the region specification and apply De
   // Morgans law
-  region_ = tokenize(region_spec);
+  region_ = Region(region_spec);
   remove_complement_ops(region_);
 
   // Convert user IDs to surface indices.
@@ -696,6 +698,7 @@ void CSGCell::to_hdf5_inner(hid_t group_id) const
 
   write_string(group_id, "geom_type", "csg", false);
 
+  // TODO: Move to Region::str()
   // Write the region specification.
   if (!region_.empty()) {
     std::stringstream region_spec {};

From 37cfd2049886215aefef90498b4baa044768ec7a Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Thu, 8 Sep 2022 11:42:37 -0500
Subject: [PATCH 0955/2654] add paragraph on using env variable w from_model

---
 docs/source/usersguide/depletion.rst | 8 ++++++++
 1 file changed, 8 insertions(+)

diff --git a/docs/source/usersguide/depletion.rst b/docs/source/usersguide/depletion.rst
index be9406182..46403ff91 100644
--- a/docs/source/usersguide/depletion.rst
+++ b/docs/source/usersguide/depletion.rst
@@ -294,6 +294,14 @@ or from data arrays::
    sure your cross sections are in the correct units before passing to a
    :class:`~openmc.deplete.IndependentOperator` object.
 
+If you are runnnig :meth:`~openmc.deplete.MicroXS.from_model()` on a cluster
+that does not share local filesystems across nodes, you'll need to set an
+environment variable so that each MPI process knows where to store output files
+used to calculate the microscopic cross sections. In order of priority, they
+are `TMPDIR`. `TEMP`, and `TMP`. Users interested in further details can read
+the `relevant docpage on the tempfile pacakge <https://docs.python.org/3/library/tempfile.html#tempfile.gettempdir>`_
+
+
 Caveats
 -------
 

From a414f5a32ad82272c449d0157f6aeee72a95ce4b Mon Sep 17 00:00:00 2001
From: Olek <45364492+yardasol@users.noreply.github.com>
Date: Thu, 8 Sep 2022 12:49:54 -0500
Subject: [PATCH 0956/2654] Apply suggestions from code review

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 docs/source/usersguide/depletion.rst | 8 ++++----
 1 file changed, 4 insertions(+), 4 deletions(-)

diff --git a/docs/source/usersguide/depletion.rst b/docs/source/usersguide/depletion.rst
index b0d8ff454..245070237 100644
--- a/docs/source/usersguide/depletion.rst
+++ b/docs/source/usersguide/depletion.rst
@@ -296,12 +296,12 @@ units of barns::
                                                  model.materials[0],
                                                  chain_file)
 
-If you are runnnig :meth:`~openmc.deplete.MicroXS.from_model()` on a cluster
-that does not share local filesystems across nodes, you'll need to set an
+If you are running :meth:`~openmc.deplete.MicroXS.from_model()` on a cluster
+where temporary files are created on a local filesystem that is not shared across nodes, you'll need to set an
 environment variable so that each MPI process knows where to store output files
 used to calculate the microscopic cross sections. In order of priority, they
-are `TMPDIR`. `TEMP`, and `TMP`. Users interested in further details can read
-the `relevant docpage on the tempfile pacakge <https://docs.python.org/3/library/tempfile.html#tempfile.gettempdir>`_
+are :envvar:`TMPDIR`. :envvar:`TEMP`, and :envvar:`TMP`. Users interested in further details can read
+the documentation for the `tempfile <https://docs.python.org/3/library/tempfile.html#tempfile.gettempdir>`_ module.
 
 
 Caveats

From 8cdce03828b160f53b6604d21dc0d20cc2836e24 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Thu, 8 Sep 2022 12:52:14 -0500
Subject: [PATCH 0957/2654] cleanup awkward sentences

---
 docs/source/usersguide/depletion.rst | 96 ++++++++++++++--------------
 1 file changed, 49 insertions(+), 47 deletions(-)

diff --git a/docs/source/usersguide/depletion.rst b/docs/source/usersguide/depletion.rst
index 46403ff91..b0d8ff454 100644
--- a/docs/source/usersguide/depletion.rst
+++ b/docs/source/usersguide/depletion.rst
@@ -203,21 +203,25 @@ Transport-independent depletion
    verified. API changes and feature additions are possible and likely in
    the near future.
 
-This category of operator uses pre-calculated one-group microscopic cross
-sections to obtain transmutation reaction rates. OpenMC provides the
-:class:`~openmc.deplete.IndependentOperator` for this method of calculation.
-While the one-group microscopic cross sections can be calculated using a
-transport solver, :class:`~openmc.deplete.IndependentOperator` is not directly
-coupled to any transport solver. The
-:class:`~openmc.deplete.IndependentOperator` class requires a
-:class:`openmc.Materials` object, a :class:`~openmc.deplete.MicroXS` object,
-and a path to a depletion chain file::
+This category of operator uses one-group microscopic cross sections to obtain
+transmutation reaction rates. The cross sections are pre-calculated, so there is
+no need for direct coupling between a transport-independent operator and a
+transport solver. The :mod:`openmc.deplete` module offers a single
+transport-independent operator, :class:`~openmc.deplete.IndependentOperator`,
+and only one operator is needed since, in theory, any transport code could
+calcuate the one-group microscopic cross sections.
+
+The :class:`~openmc.deplete.IndependentOperator` class has two constructors.
+The default constructor requires a :class:`openmc.Materials` instance, a
+:class:`~openmc.deplete.MicroXS` instance containing one-group microscoic cross
+sections in units of barns, and a path to a depletion chain file::
 
-    # load in the microscopic cross sections
     materials = openmc.Materials()
     ...
 
+    # load in the microscopic cross sections
     micro_xs = openmc.deplete.MicroXS.from_csv(micro_xs_path)
+
     op = openmc.deplete.IndependentOperator(materials, micro_xs, chain_file)
 
 .. note::
@@ -229,7 +233,7 @@ and a path to a depletion chain file::
 An alternate constructor,
 :meth:`~openmc.deplete.IndependentOperator.from_nuclides`, accepts a volume and
 dictionary of nuclide concentrations in place of the :class:`openmc.Materials`
-object::
+instance::
 
     nuclides = {'U234': 8.92e18,
                 'U235': 9.98e20,
@@ -250,32 +254,17 @@ transport-depletion calculation and follow the same steps from there.
 .. note::
 
    Ideally, one-group cross section data should be available for every
-   reaction in the depletion chain. If a nuclide that has a reaction
-   associated with it in the depletion chain is present in the `nuclides`
-   parameter but not the cross section data, that reaction will not be
-   simulated.
+   reaction in the depletion chain. If cross section data is not present for
+   a nuclide in the depletion chain with at least one reaction, that reaction
+   will not be simulated.
 
-Generating Microscopic Cross Sections
+Loading and Generating Microscopic Cross Sections
 -------------------------------------
 
-Users can generate the one-group microscopic cross sections needed by
-:class:`~openmc.deplete.IndependentOperator` using the
-:class:`~openmc.deplete.MicroXS` class::
-
-    import openmc
-
-    model = openmc.Model.from_xml()
-
-    micro_xs = openmc.deplete.MicroXS.from_model(model,
-                                                 model.materials[0],
-                                                 chain_file)
-
-The :meth:`~openmc.deplete.MicroXS.from_model()` method will produce a
-:class:`~openmc.deplete.MicroXS` object with microscopic cross section data in
-units of barns, which is what :class:`~openmc.deplete.IndependentOperator`
-expects the units to be. The :class:`~openmc.deplete.MicroXS` class also
-includes functions to read in cross section data directly from a ``.csv`` file
-or from data arrays::
+As mentioned earlier, any transport code could be used to calculate one-group
+microscopic cross sections. The :mod:`openmc.deplete` module provides the 
+:class:`~openmc.deplete.MicroXS` class, which contains methods to read in
+pre-caluclated cross sections from a ``.csv`` file or from data arrays::
 
     micro_xs = MicroXS.from_csv(micro_xs_path)
 
@@ -294,6 +283,19 @@ or from data arrays::
    sure your cross sections are in the correct units before passing to a
    :class:`~openmc.deplete.IndependentOperator` object.
 
+The :class:`~openmc.deplete.MicroXS` class also contains a method to generate one-group microscopic cross sections using OpenMC's transport solver. The
+:meth:`~openmc.deplete.MicroXS.from_model()` method will produce a
+:class:`~openmc.deplete.MicroXS` instance with microscopic cross section data in
+units of barns::
+
+    import openmc
+
+    model = openmc.Model.from_xml()
+
+    micro_xs = openmc.deplete.MicroXS.from_model(model,
+                                                 model.materials[0],
+                                                 chain_file)
+
 If you are runnnig :meth:`~openmc.deplete.MicroXS.from_model()` on a cluster
 that does not share local filesystems across nodes, you'll need to set an
 environment variable so that each MPI process knows where to store output files
@@ -320,12 +322,13 @@ normalizing reaction rates:
 
 1. ``source-rate`` normalization, which assumes the ``source_rate`` provided by
    the time integrator is a flux, and obtains the reaction rates by multiplying
-   the cross-sections by the ``source-rate``.
+   the cross sections by the ``source-rate``.
 2. ``fission-q`` normalization, which uses the ``power`` or ``power_density``
    provided by the time integrator to obtain reaction rates by computing a value
    for the flux based on this power. The general equation for the flux is
 
    .. math::
+      :label: fission-q
 
       \phi = \frac{P}{\sum\limits_i (Q_i \sigma^f_i N_i)}
 
@@ -349,19 +352,18 @@ normalizing reaction rates:
 Multiple Materials
 ~~~~~~~~~~~~~~~~~~
 
-Running a depletion simulation with multiple materials using the
-``source-rate`` normalization method treats each material as completely
-separate with respect to reaction rates. This can be useful for running many
-different cases of a particular scenario. However, running a depletion
-simulation with multiple materials using the ``fission-q`` normalization method
-treats each material as part of the same "reactor" due to how ``fission-q``
-normalization accumulates energy values from each material to a single value.
-This behavior may change in the future.
+A transport-independent depletion simulation using ``source-race`` normalization
+will calculate reaction rates for each material independently. This can be
+useful for running many different cases of a particular scenario. A depletion
+simulation using ``fission-q`` normalization will sum the energy values from
+each material into :math:`Q` in Equation :math:numref:`fission-q`, which is
+used to normalize the reaction rates for all materials. This behavior may
+change in the future.
 
 Time integration
 ~~~~~~~~~~~~~~~~
 
-The one-group microscopic cross sections passed to
-:class:`openmc.deplete.IndependentOperator` are fixed values for the entire
-depletion simulation. This implicit assumption may produce inaccurate results
-for certain scenarios.
+The values of the one-group microscopic cross sections passed to
+:class:`openmc.deplete.IndependentOperator` are fixed for the entire depletion
+simulation. This implicit assumption may produce inaccurate results for certain
+scenarios.

From d590aa7ad745e862d4a372f072d3d48ec48613e3 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 8 Sep 2022 13:01:42 -0500
Subject: [PATCH 0958/2654] Remove RELAX NG schema and openmc-validate-xml
 script

---
 CMakeLists.txt                      |   1 -
 docs/source/devguide/user-input.rst |  11 -
 docs/source/usersguide/basics.rst   |   5 +-
 docs/source/usersguide/install.rst  |  29 +-
 docs/source/usersguide/scripts.rst  |  28 -
 schemas.xml                         |   9 -
 scripts/openmc-validate-xml         | 102 ---
 src/relaxng/cross_sections.rnc      |  12 -
 src/relaxng/cross_sections.rng      |  42 --
 src/relaxng/geometry.rnc            |  55 --
 src/relaxng/geometry.rng            | 447 --------------
 src/relaxng/materials.rnc           |  41 --
 src/relaxng/materials.rng           | 165 -----
 src/relaxng/mg_cross_sections.rnc   |  61 --
 src/relaxng/mg_cross_sections.rng   | 314 ----------
 src/relaxng/plots.rnc               |  41 --
 src/relaxng/plots.rng               | 293 ---------
 src/relaxng/readme.rst              |  19 -
 src/relaxng/settings.rnc            | 204 ------
 src/relaxng/settings.rng            | 921 ----------------------------
 src/relaxng/tallies.rnc             | 114 ----
 src/relaxng/tallies.rng             | 480 ---------------
 22 files changed, 2 insertions(+), 3392 deletions(-)
 delete mode 100644 schemas.xml
 delete mode 100755 scripts/openmc-validate-xml
 delete mode 100644 src/relaxng/cross_sections.rnc
 delete mode 100644 src/relaxng/cross_sections.rng
 delete mode 100644 src/relaxng/geometry.rnc
 delete mode 100644 src/relaxng/geometry.rng
 delete mode 100644 src/relaxng/materials.rnc
 delete mode 100644 src/relaxng/materials.rng
 delete mode 100644 src/relaxng/mg_cross_sections.rnc
 delete mode 100644 src/relaxng/mg_cross_sections.rng
 delete mode 100644 src/relaxng/plots.rnc
 delete mode 100644 src/relaxng/plots.rng
 delete mode 100644 src/relaxng/readme.rst
 delete mode 100644 src/relaxng/settings.rnc
 delete mode 100644 src/relaxng/settings.rng
 delete mode 100644 src/relaxng/tallies.rnc
 delete mode 100644 src/relaxng/tallies.rng

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 995480372..521b46cfc 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -525,7 +525,6 @@ install(EXPORT openmc-targets
   NAMESPACE OpenMC::
   DESTINATION ${INSTALL_CONFIGDIR})
 
-install(DIRECTORY src/relaxng DESTINATION ${CMAKE_INSTALL_DATADIR}/openmc)
 install(FILES
   "${CMAKE_BINARY_DIR}${CMAKE_FILES_DIRECTORY}/OpenMCConfig.cmake"
   "${CMAKE_BINARY_DIR}${CMAKE_FILES_DIRECTORY}/OpenMCConfigVersion.cmake"
diff --git a/docs/source/devguide/user-input.rst b/docs/source/devguide/user-input.rst
index 0bde0fb05..a26f98b19 100644
--- a/docs/source/devguide/user-input.rst
+++ b/docs/source/devguide/user-input.rst
@@ -49,14 +49,6 @@ following steps should be followed to make changes to user input:
    written out to the statepoint or summary files and that the
    :class:`openmc.StatePoint` and :class:`openmc.Summary` classes read them in.
 
-7. Finally, a set of `RELAX NG`_ schemas exists that enables validation of input
-   files. You should modify the RELAX NG schema for the file you changed. The
-   easiest way to do this is to change the `compact syntax`_ file
-   (e.g. ``src/relaxng/geometry.rnc``) and then convert it to regular XML syntax
-   using trang_::
-
-       trang geometry.rnc geometry.rng
-
 For most user input additions and changes, it is simple enough to follow a
 "monkey see, monkey do" approach. When in doubt, contact your nearest OpenMC
 developer or send a message to the `developers mailing list`_.
@@ -65,7 +57,4 @@ developer or send a message to the `developers mailing list`_.
 .. _property attribute: https://docs.python.org/3.6/library/functions.html#property
 .. _XML Schema Part 2: http://www.w3.org/TR/xmlschema-2/
 .. _boolean: http://www.w3.org/TR/xmlschema-2/#boolean
-.. _RELAX NG: https://relaxng.org/
-.. _compact syntax: https://relaxng.org/compact-tutorial-20030326.html
-.. _trang: https://relaxng.org/jclark/trang.html
 .. _developers mailing list: https://groups.google.com/forum/?fromgroups=#!forum/openmc-dev
diff --git a/docs/source/usersguide/basics.rst b/docs/source/usersguide/basics.rst
index 250255f45..3394c17a6 100644
--- a/docs/source/usersguide/basics.rst
+++ b/docs/source/usersguide/basics.rst
@@ -75,10 +75,7 @@ person. The nested tags *firstname*, *lastname*, *age*, and *occupation*
 indicate characteristics about the person being described.
 
 In much the same way, OpenMC input uses XML tags to describe the geometry, the
-materials, and settings for a Monte Carlo simulation. Note that because the XML
-files have a well-defined structure, they can be validated using the
-:ref:`scripts_validate` script or using :ref:`Emacs nXML mode
-<usersguide_nxml>`.
+materials, and settings for a Monte Carlo simulation.
 
 Creating Input Files
 --------------------
diff --git a/docs/source/usersguide/install.rst b/docs/source/usersguide/install.rst
index 3d48828fb..b57958814 100644
--- a/docs/source/usersguide/install.rst
+++ b/docs/source/usersguide/install.rst
@@ -545,8 +545,7 @@ distributions.
       Uncertainties are used for decay data in the :mod:`openmc.data` module.
 
    `lxml <https://lxml.de/>`_
-      lxml is used for the :ref:`scripts_validate` script and various other
-      parts of the Python API.
+      lxml is used for various parts of the Python API.
 
 .. admonition:: Optional
    :class: note
@@ -590,31 +589,5 @@ wrapper is used when installing h5py:
 
     CC=<path to mpicc> HDF5_MPI=ON HDF5_DIR=<path to HDF5> pip install --no-binary=h5py h5py
 
-.. _usersguide_nxml:
-
------------------------------------------------------
-Configuring Input Validation with GNU Emacs nXML mode
------------------------------------------------------
-
-The `GNU Emacs`_ text editor has a built-in mode that extends functionality for
-editing XML files. One of the features in nXML mode is the ability to perform
-real-time `validation`_ of XML files against a `RELAX NG`_ schema. The OpenMC
-source contains RELAX NG schemas for each type of user input file. In order for
-nXML mode to know about these schemas, you need to tell emacs where to find a
-"locating files" description. Adding the following lines to your ``~/.emacs``
-file will enable real-time validation of XML input files:
-
-.. code-block:: common-lisp
-
-    (require 'rng-loc)
-    (add-to-list 'rng-schema-locating-files "~/openmc/schemas.xml")
-
-Make sure to replace the last string on the second line with the path to the
-schemas.xml file in your own OpenMC source directory.
-
-.. _GNU Emacs: http://www.gnu.org/software/emacs/
-.. _validation: https://en.wikipedia.org/wiki/XML_validation
-.. _RELAX NG: https://relaxng.org/
-.. _ctest: https://cmake.org/cmake/help/latest/manual/ctest.1.html
 .. _Conda: https://conda.io/en/latest/
 .. _pip: https://pip.pypa.io/en/stable/
diff --git a/docs/source/usersguide/scripts.rst b/docs/source/usersguide/scripts.rst
index f2ba81605..c433ffe2c 100644
--- a/docs/source/usersguide/scripts.rst
+++ b/docs/source/usersguide/scripts.rst
@@ -171,34 +171,6 @@ the latest HDF5-based format.
 -i IN, --input IN    Input XML file
 -o OUT, --output OUT  Output file in HDF5 format
 
-.. _scripts_validate:
-
------------------------
-``openmc-validate-xml``
------------------------
-
-Input files can be checked before executing OpenMC using the
-``openmc-validate-xml`` script which is installed alongside the Python API. Two
-command line arguments can be set when running ``openmc-validate-xml``:
-
--i, --input-path      Location of OpenMC input files.
--r, --relaxng-path    Location of OpenMC RelaxNG files
-
-If the RelaxNG path is not set, the script will search for these files because
-it expects that the user is either running the script located in the install
-directory ``bin`` folder or in ``src/utils``. Once executed, it will match
-OpenMC XML files with their RelaxNG schema and check if they are valid.  Below
-is a table of the messages that will be printed after each file is checked.
-
-========================  ===================================
-Message                   Description
-========================  ===================================
-[XML ERROR]               Cannot parse XML file.
-[NO RELAXNG FOUND]        No RelaxNG file found for XML file.
-[NOT VALID]               XML file does not match RelaxNG.
-[VALID]                   XML file matches RelaxNG.
-========================  ===================================
-
 .. _scripts_voxel:
 
 ---------------------------
diff --git a/schemas.xml b/schemas.xml
deleted file mode 100644
index 3e586ec6a..000000000
--- a/schemas.xml
+++ /dev/null
@@ -1,9 +0,0 @@
-<?xml version="1.0"?>
-<locatingRules xmlns="http://thaiopensource.com/ns/locating-rules/1.0">
-  <documentElement localName="geometry" uri="src/relaxng/geometry.rnc"/>
-  <documentElement localName="materials" uri="src/relaxng/materials.rnc"/>
-  <documentElement localName="settings" uri="src/relaxng/settings.rnc"/>
-  <documentElement localName="tallies" uri="src/relaxng/tallies.rnc"/>
-  <documentElement localName="plots" uri="src/relaxng/plots.rnc"/>
-  <documentElement localName="cross_sections" uri="src/relaxng/cross_sections.rnc"/>
-</locatingRules>
diff --git a/scripts/openmc-validate-xml b/scripts/openmc-validate-xml
deleted file mode 100755
index e3aeb1039..000000000
--- a/scripts/openmc-validate-xml
+++ /dev/null
@@ -1,102 +0,0 @@
-#!/usr/bin/env python3
-
-import os
-import sys
-import glob
-import lxml.etree as etree
-from optparse import OptionParser
-
-def validate_xml(inputs, relaxng):
-
-    # Colored output
-    if sys.stdout.isatty():
-        OK = '\033[92m'
-        FAIL = '\033[91m'
-        NOT_FOUND = '\033[93m'
-        ENDC = '\033[0m'
-        BOLD = '\033[1m'
-    else:
-        OK = ''
-        FAIL = ''
-        ENDC = ''
-        BOLD = ''
-        NOT_FOUND = ''
-
-    # Get absolute paths
-    if relaxng is not None:
-        relaxng_path = os.path.abspath(relaxng)
-    if inputs is not None:
-        inputs_path = os.path.abspath(inputs)
-
-    # Search for relaxng path if not set
-    if relaxng is None:
-        xml_validate_path = os.path.abspath(os.path.dirname(sys.argv[0]))
-        if "bin" in xml_validate_path:
-            relaxng_path = os.path.join(xml_validate_path, "..", "share", "relaxng")
-        elif os.path.join("src", "utils") in xml_validate_path:
-            relaxng_path = os.path.join(xml_validate_path, "..", "relaxng")
-        else:
-            raise Exception("Set RelaxNG path with -r command line option.")
-    if not os.path.exists(relaxng_path):
-        raise Exception(f"RelaxNG path: {relaxng_path} does not exist, set "
-                        "with -r command line option.")
-
-    # Make sure there are .rng files in RelaxNG path
-    rng_files = glob.glob(os.path.join(relaxng_path, "*.rng"))
-    if len(rng_files) == 0:
-        raise Exception(f"No .rng files found in RelaxNG path: {relaxng_path}.")
-
-    # Get list of xml input files
-    xml_files = glob.glob(os.path.join(inputs_path, "*.xml"))
-    if len(xml_files) == 0:
-        raise Exception(f"No .xml files found at input path: {inputs_path}.")
-
-    # Begin loop around input files
-    for xml_file in xml_files:
-
-        text = f"Validating {os.path.basename(xml_file)}"
-        print(text + '.'*(30 - len(text)), end="")
-
-        # Validate the XML file
-        try:
-            xml_tree = etree.parse(xml_file)
-        except etree.XMLSyntaxError as e:
-            print(BOLD + FAIL + '[XML ERROR]' + ENDC)
-            print(f"    {e}")
-            continue
-
-        # Get xml_filename prefix
-        xml_prefix = os.path.basename(xml_file)
-        xml_prefix = xml_prefix.split(".")[0]
-
-        # Search for rng file
-        rng_file = os.path.join(relaxng_path, xml_prefix + ".rng")
-        if rng_file in rng_files:
-
-            # read in RelaxNG
-            relaxng_doc = etree.parse(rng_file)
-            relaxng = etree.RelaxNG(relaxng_doc)
-
-            # validate xml file again RelaxNG
-            try:
-                relaxng.assertValid(xml_tree)
-                print(BOLD + OK + '[VALID]' + ENDC)
-            except (etree.DocumentInvalid, TypeError) as e:
-                print(BOLD + FAIL + '[NOT VALID]' + ENDC)
-                print(f"    {e}")
-
-        # RNG file does not exist
-        else:
-            print(BOLD + NOT_FOUND + '[NO RELAXNG FOUND]' + ENDC)
-
-
-if __name__ == "__main__":
-    # Command line parsing
-    parser = OptionParser()
-    parser.add_option('-r', '--relaxng-path', dest='relaxng',
-                    help="Path to RelaxNG files.")
-    parser.add_option('-i', '--input-path', dest='inputs', default=os.getcwd(),
-                    help="Path to OpenMC input files." )
-    (options, args) = parser.parse_args()
-
-    validate_xml(inputs=options.inputs, relaxng=options.relaxng)
diff --git a/src/relaxng/cross_sections.rnc b/src/relaxng/cross_sections.rnc
deleted file mode 100644
index 7fbc610a2..000000000
--- a/src/relaxng/cross_sections.rnc
+++ /dev/null
@@ -1,12 +0,0 @@
-element cross_sections {
-  element library {
-    (element materials { xsd:string } |
-      attribute materials { xsd:string }) &
-    (element type { xsd:string } |
-      attribute type { xsd:string }) &
-    (element path { xsd:string } |
-      attribute path { xsd:string })
-  }* &
-
-  element directory { xsd:string { maxLength = "255" } }?
-}
\ No newline at end of file
diff --git a/src/relaxng/cross_sections.rng b/src/relaxng/cross_sections.rng
deleted file mode 100644
index 435f7fa84..000000000
--- a/src/relaxng/cross_sections.rng
+++ /dev/null
@@ -1,42 +0,0 @@
-<?xml version="1.0" encoding="UTF-8"?>
-<element name="cross_sections" xmlns="http://relaxng.org/ns/structure/1.0" datatypeLibrary="http://www.w3.org/2001/XMLSchema-datatypes">
-  <interleave>
-    <zeroOrMore>
-      <element name="library">
-        <interleave>
-          <choice>
-            <element name="materials">
-              <data type="string"/>
-            </element>
-            <attribute name="materials">
-              <data type="string"/>
-            </attribute>
-          </choice>
-          <choice>
-            <element name="type">
-              <data type="string"/>
-            </element>
-            <attribute name="type">
-              <data type="string"/>
-            </attribute>
-          </choice>
-          <choice>
-            <element name="path">
-              <data type="string"/>
-            </element>
-            <attribute name="path">
-              <data type="string"/>
-            </attribute>
-          </choice>
-        </interleave>
-      </element>
-    </zeroOrMore>
-    <optional>
-      <element name="directory">
-        <data type="string">
-          <param name="maxLength">255</param>
-        </data>
-      </element>
-    </optional>
-  </interleave>
-</element>
diff --git a/src/relaxng/geometry.rnc b/src/relaxng/geometry.rnc
deleted file mode 100644
index e3c88c445..000000000
--- a/src/relaxng/geometry.rnc
+++ /dev/null
@@ -1,55 +0,0 @@
-element geometry {
-  element cell {
-    (element id { xsd:int } | attribute id { xsd:int }) &
-    (element name { xsd:string { maxLength="52" } } |
-      attribute name { xsd:string { maxLength="52" } })? &
-    (element universe { xsd:int } | attribute universe { xsd:int })? &
-    (
-      (element fill { xsd:int } | attribute fill { xsd:int }) |
-      (element material { list { ( xsd:int | "void" )+ } } |
-        attribute material { list { ( xsd:int | "void" )+ } })
-    ) &
-    (element temperature { list { xsd:double+ } } |
-      attribute temperature { list { xsd:double+ } } )? &
-    (element region { xsd:string } | attribute region { xsd:string })? &
-    (element rotation { list { xsd:double+ } } | attribute rotation { list { xsd:double+ } })? &
-    (element translation { list { xsd:double+ } } | attribute translation { list { xsd:double+ } })?
-  }*
-
-  & element surface {
-    (element id { xsd:int } | attribute id { xsd:int }) &
-    (element name { xsd:string { maxLength="52" } } |
-      attribute name { xsd:string { maxLength="52" } })? &
-    (element type { xsd:string { maxLength = "15" } } |
-     attribute type { xsd:string { maxLength = "15" } }) &
-    (element coeffs { list { xsd:double+ } } | attribute coeffs { list { xsd:double+ } }) &
-    (element boundary { ( "transmit" | "reflective" | "vacuum" | "periodic" ) } |
-     attribute boundary { ( "transmit" | "reflective" | "vacuum" | "periodic" ) })? &
-    (element periodic_surface_id { xsd:int } | attribute periodic_surface_id { xsd:int })?
-  }*
-
-  & element lattice {
-    (element id { xsd:int } | attribute id { xsd:int }) &
-    (element name { xsd:string { maxLength="52" } } |
-      attribute name { xsd:string { maxLength="52" } })? &
-    (element dimension { list { xsd:positiveInteger+ } } |
-      attribute dimension { list { xsd:positiveInteger+ } }) &
-    (element lower_left { list { xsd:double+ } } | attribute lower_left { list { xsd:double+ } }) &
-    (element pitch { list { xsd:double+ } } | attribute pitch { list { xsd:double+ } }) &
-    (element universes { list { xsd:int+ } } | attribute universes { list { xsd:int+ } }) &
-    (element outer { xsd:int } | attribute outer { xsd:int })?
-  }*
-
-  & element hex_lattice {
-    (element id { xsd:int } | attribute id { xsd:int }) &
-    (element name { xsd:string { maxLength="52" } } |
-      attribute name { xsd:string { maxLength="52" } })? &
-    (element n_rings { xsd:int } | attribute n_rings { xsd:int }) &
-    (element n_axial { xsd:int } | attribute n_axial { xsd:int })? &
-    (element center { list { xsd:double+ } } | attribute center { list { xsd:double+ } }) &
-    (element pitch { list { xsd:double+ } } | attribute pitch { list { xsd:double+ } }) &
-    (element orientation { ( "x" | "y" ) } | attribute orientation { ( "x" | "y" ) })? &
-    (element universes { list { xsd:int+ } } | attribute universes { list { xsd:int+ } }) &
-    (element outer { xsd:int } | attribute outer { xsd:int })?
-  }*
-}
diff --git a/src/relaxng/geometry.rng b/src/relaxng/geometry.rng
deleted file mode 100644
index 56bf38580..000000000
--- a/src/relaxng/geometry.rng
+++ /dev/null
@@ -1,447 +0,0 @@
-<?xml version="1.0" encoding="UTF-8"?>
-<element name="geometry" xmlns="http://relaxng.org/ns/structure/1.0" datatypeLibrary="http://www.w3.org/2001/XMLSchema-datatypes">
-  <interleave>
-    <zeroOrMore>
-      <element name="cell">
-        <interleave>
-          <choice>
-            <element name="id">
-              <data type="int"/>
-            </element>
-            <attribute name="id">
-              <data type="int"/>
-            </attribute>
-          </choice>
-          <optional>
-            <choice>
-              <element name="name">
-                <data type="string">
-                  <param name="maxLength">52</param>
-                </data>
-              </element>
-              <attribute name="name">
-                <data type="string">
-                  <param name="maxLength">52</param>
-                </data>
-              </attribute>
-            </choice>
-          </optional>
-          <optional>
-            <choice>
-              <element name="universe">
-                <data type="int"/>
-              </element>
-              <attribute name="universe">
-                <data type="int"/>
-              </attribute>
-            </choice>
-          </optional>
-          <choice>
-            <choice>
-              <element name="fill">
-                <data type="int"/>
-              </element>
-              <attribute name="fill">
-                <data type="int"/>
-              </attribute>
-            </choice>
-            <choice>
-              <element name="material">
-                <list>
-                  <oneOrMore>
-                    <choice>
-                      <data type="int"/>
-                      <value>void</value>
-                    </choice>
-                  </oneOrMore>
-                </list>
-              </element>
-              <attribute name="material">
-                <list>
-                  <oneOrMore>
-                    <choice>
-                      <data type="int"/>
-                      <value>void</value>
-                    </choice>
-                  </oneOrMore>
-                </list>
-              </attribute>
-            </choice>
-          </choice>
-          <optional>
-            <choice>
-              <element name="temperature">
-                <list>
-                  <oneOrMore>
-                    <data type="double"/>
-                  </oneOrMore>
-                </list>
-              </element>
-              <attribute name="temperature">
-                <list>
-                  <oneOrMore>
-                    <data type="double"/>
-                  </oneOrMore>
-                </list>
-              </attribute>
-            </choice>
-          </optional>
-          <optional>
-            <choice>
-              <element name="region">
-                <data type="string"/>
-              </element>
-              <attribute name="region">
-                <data type="string"/>
-              </attribute>
-            </choice>
-          </optional>
-          <optional>
-            <choice>
-              <element name="rotation">
-                <list>
-                  <oneOrMore>
-                    <data type="double"/>
-                  </oneOrMore>
-                </list>
-              </element>
-              <attribute name="rotation">
-                <list>
-                  <oneOrMore>
-                    <data type="double"/>
-                  </oneOrMore>
-                </list>
-              </attribute>
-            </choice>
-          </optional>
-          <optional>
-            <choice>
-              <element name="translation">
-                <list>
-                  <oneOrMore>
-                    <data type="double"/>
-                  </oneOrMore>
-                </list>
-              </element>
-              <attribute name="translation">
-                <list>
-                  <oneOrMore>
-                    <data type="double"/>
-                  </oneOrMore>
-                </list>
-              </attribute>
-            </choice>
-          </optional>
-        </interleave>
-      </element>
-    </zeroOrMore>
-    <zeroOrMore>
-      <element name="surface">
-        <interleave>
-          <choice>
-            <element name="id">
-              <data type="int"/>
-            </element>
-            <attribute name="id">
-              <data type="int"/>
-            </attribute>
-          </choice>
-          <optional>
-            <choice>
-              <element name="name">
-                <data type="string">
-                  <param name="maxLength">52</param>
-                </data>
-              </element>
-              <attribute name="name">
-                <data type="string">
-                  <param name="maxLength">52</param>
-                </data>
-              </attribute>
-            </choice>
-          </optional>
-          <choice>
-            <element name="type">
-              <data type="string">
-                <param name="maxLength">15</param>
-              </data>
-            </element>
-            <attribute name="type">
-              <data type="string">
-                <param name="maxLength">15</param>
-              </data>
-            </attribute>
-          </choice>
-          <choice>
-            <element name="coeffs">
-              <list>
-                <oneOrMore>
-                  <data type="double"/>
-                </oneOrMore>
-              </list>
-            </element>
-            <attribute name="coeffs">
-              <list>
-                <oneOrMore>
-                  <data type="double"/>
-                </oneOrMore>
-              </list>
-            </attribute>
-          </choice>
-          <optional>
-            <choice>
-              <element name="boundary">
-                <choice>
-                  <value>transmit</value>
-                  <value>reflective</value>
-                  <value>vacuum</value>
-                  <value>periodic</value>
-                </choice>
-              </element>
-              <attribute name="boundary">
-                <choice>
-                  <value>transmit</value>
-                  <value>reflective</value>
-                  <value>vacuum</value>
-                  <value>periodic</value>
-                </choice>
-              </attribute>
-            </choice>
-          </optional>
-          <optional>
-            <choice>
-              <element name="periodic_surface_id">
-                <data type="int"/>
-              </element>
-              <attribute name="periodic_surface_id">
-                <data type="int"/>
-              </attribute>
-            </choice>
-          </optional>
-        </interleave>
-      </element>
-    </zeroOrMore>
-    <zeroOrMore>
-      <element name="lattice">
-        <interleave>
-          <choice>
-            <element name="id">
-              <data type="int"/>
-            </element>
-            <attribute name="id">
-              <data type="int"/>
-            </attribute>
-          </choice>
-          <optional>
-            <choice>
-              <element name="name">
-                <data type="string">
-                  <param name="maxLength">52</param>
-                </data>
-              </element>
-              <attribute name="name">
-                <data type="string">
-                  <param name="maxLength">52</param>
-                </data>
-              </attribute>
-            </choice>
-          </optional>
-          <choice>
-            <element name="dimension">
-              <list>
-                <oneOrMore>
-                  <data type="positiveInteger"/>
-                </oneOrMore>
-              </list>
-            </element>
-            <attribute name="dimension">
-              <list>
-                <oneOrMore>
-                  <data type="positiveInteger"/>
-                </oneOrMore>
-              </list>
-            </attribute>
-          </choice>
-          <choice>
-            <element name="lower_left">
-              <list>
-                <oneOrMore>
-                  <data type="double"/>
-                </oneOrMore>
-              </list>
-            </element>
-            <attribute name="lower_left">
-              <list>
-                <oneOrMore>
-                  <data type="double"/>
-                </oneOrMore>
-              </list>
-            </attribute>
-          </choice>
-          <choice>
-            <element name="pitch">
-              <list>
-                <oneOrMore>
-                  <data type="double"/>
-                </oneOrMore>
-              </list>
-            </element>
-            <attribute name="pitch">
-              <list>
-                <oneOrMore>
-                  <data type="double"/>
-                </oneOrMore>
-              </list>
-            </attribute>
-          </choice>
-          <choice>
-            <element name="universes">
-              <list>
-                <oneOrMore>
-                  <data type="int"/>
-                </oneOrMore>
-              </list>
-            </element>
-            <attribute name="universes">
-              <list>
-                <oneOrMore>
-                  <data type="int"/>
-                </oneOrMore>
-              </list>
-            </attribute>
-          </choice>
-          <optional>
-            <choice>
-              <element name="outer">
-                <data type="int"/>
-              </element>
-              <attribute name="outer">
-                <data type="int"/>
-              </attribute>
-            </choice>
-          </optional>
-        </interleave>
-      </element>
-    </zeroOrMore>
-    <zeroOrMore>
-      <element name="hex_lattice">
-        <interleave>
-          <choice>
-            <element name="id">
-              <data type="int"/>
-            </element>
-            <attribute name="id">
-              <data type="int"/>
-            </attribute>
-          </choice>
-          <optional>
-            <choice>
-              <element name="name">
-                <data type="string">
-                  <param name="maxLength">52</param>
-                </data>
-              </element>
-              <attribute name="name">
-                <data type="string">
-                  <param name="maxLength">52</param>
-                </data>
-              </attribute>
-            </choice>
-          </optional>
-          <choice>
-            <element name="n_rings">
-              <data type="int"/>
-            </element>
-            <attribute name="n_rings">
-              <data type="int"/>
-            </attribute>
-          </choice>
-          <optional>
-            <choice>
-              <element name="n_axial">
-                <data type="int"/>
-              </element>
-              <attribute name="n_axial">
-                <data type="int"/>
-              </attribute>
-            </choice>
-          </optional>
-          <choice>
-            <element name="center">
-              <list>
-                <oneOrMore>
-                  <data type="double"/>
-                </oneOrMore>
-              </list>
-            </element>
-            <attribute name="center">
-              <list>
-                <oneOrMore>
-                  <data type="double"/>
-                </oneOrMore>
-              </list>
-            </attribute>
-          </choice>
-          <choice>
-            <element name="pitch">
-              <list>
-                <oneOrMore>
-                  <data type="double"/>
-                </oneOrMore>
-              </list>
-            </element>
-            <attribute name="pitch">
-              <list>
-                <oneOrMore>
-                  <data type="double"/>
-                </oneOrMore>
-              </list>
-            </attribute>
-          </choice>
-          <optional>
-            <choice>
-              <element name="orientation">
-                <choice>
-                  <value>x</value>
-                  <value>y</value>
-                </choice>
-              </element>
-              <attribute name="orientation">
-                <choice>
-                  <value>x</value>
-                  <value>y</value>
-                </choice>
-              </attribute>
-            </choice>
-          </optional>
-          <choice>
-            <element name="universes">
-              <list>
-                <oneOrMore>
-                  <data type="int"/>
-                </oneOrMore>
-              </list>
-            </element>
-            <attribute name="universes">
-              <list>
-                <oneOrMore>
-                  <data type="int"/>
-                </oneOrMore>
-              </list>
-            </attribute>
-          </choice>
-          <optional>
-            <choice>
-              <element name="outer">
-                <data type="int"/>
-              </element>
-              <attribute name="outer">
-                <data type="int"/>
-              </attribute>
-            </choice>
-          </optional>
-        </interleave>
-      </element>
-    </zeroOrMore>
-  </interleave>
-</element>
diff --git a/src/relaxng/materials.rnc b/src/relaxng/materials.rnc
deleted file mode 100644
index c82ecfeaa..000000000
--- a/src/relaxng/materials.rnc
+++ /dev/null
@@ -1,41 +0,0 @@
-element materials {
-  element material {
-    (element id { xsd:int } | attribute id { xsd:int }) &
-
-    (element name { xsd:string } | attribute name { xsd:string })? &
-
-    (element depletable { xsd:boolean } | attribute depletable { xsd:boolean })? &
-
-    (element volume { xsd:double } | attribute volume { xsd:double })? &
-
-    (element temperature { xsd:double } | attribute temperature { xsd:double })? &
-
-    element density {
-      (element value { xsd:double } | attribute value { xsd:double })? &
-      (element units { xsd:string { maxLength = "10" } } |
-        attribute units { xsd:string { maxLength = "10" } })
-    } &
-
-    element nuclide {
-      (element name { xsd:string } | attribute name { xsd:string }) &
-      (
-        (element ao { xsd:double } | attribute ao { xsd:double }) |
-        (element wo { xsd:double } | attribute wo { xsd:double })
-      )
-    }*  &
-
-    element isotropic { xsd:string }? &
-
-    element macroscopic {
-      (element name { xsd:string } |
-        attribute name { xsd:string })
-    }*  &
-
-    element sab {
-      (element name { xsd:string } | attribute name { xsd:string }) &
-      (element fraction { xsd:double } | attribute fraction { xsd:double })?
-    }*
-  }+ &
-
-  element cross_sections { xsd:string { maxLength = "255" } }?
-}
diff --git a/src/relaxng/materials.rng b/src/relaxng/materials.rng
deleted file mode 100644
index e99fb7adf..000000000
--- a/src/relaxng/materials.rng
+++ /dev/null
@@ -1,165 +0,0 @@
-<?xml version="1.0" encoding="UTF-8"?>
-<element name="materials" xmlns="http://relaxng.org/ns/structure/1.0" datatypeLibrary="http://www.w3.org/2001/XMLSchema-datatypes">
-  <interleave>
-    <oneOrMore>
-      <element name="material">
-        <interleave>
-          <choice>
-            <element name="id">
-              <data type="int"/>
-            </element>
-            <attribute name="id">
-              <data type="int"/>
-            </attribute>
-          </choice>
-          <optional>
-            <choice>
-              <element name="name">
-                <data type="string"/>
-              </element>
-              <attribute name="name">
-                <data type="string"/>
-              </attribute>
-            </choice>
-          </optional>
-          <optional>
-            <choice>
-              <element name="depletable">
-                <data type="boolean"/>
-              </element>
-              <attribute name="depletable">
-                <data type="boolean"/>
-              </attribute>
-            </choice>
-          </optional>
-          <optional>
-            <choice>
-              <element name="volume">
-                <data type="double"/>
-              </element>
-              <attribute name="volume">
-                <data type="double"/>
-              </attribute>
-            </choice>
-          </optional>
-          <optional>
-            <choice>
-              <element name="temperature">
-                <data type="double"/>
-              </element>
-              <attribute name="temperature">
-                <data type="double"/>
-              </attribute>
-            </choice>
-          </optional>
-          <element name="density">
-            <interleave>
-              <optional>
-                <choice>
-                  <element name="value">
-                    <data type="double"/>
-                  </element>
-                  <attribute name="value">
-                    <data type="double"/>
-                  </attribute>
-                </choice>
-              </optional>
-              <choice>
-                <element name="units">
-                  <data type="string">
-                    <param name="maxLength">10</param>
-                  </data>
-                </element>
-                <attribute name="units">
-                  <data type="string">
-                    <param name="maxLength">10</param>
-                  </data>
-                </attribute>
-              </choice>
-            </interleave>
-          </element>
-          <zeroOrMore>
-            <element name="nuclide">
-              <interleave>
-                <choice>
-                  <element name="name">
-                    <data type="string"/>
-                  </element>
-                  <attribute name="name">
-                    <data type="string"/>
-                  </attribute>
-                </choice>
-                <choice>
-                  <choice>
-                    <element name="ao">
-                      <data type="double"/>
-                    </element>
-                    <attribute name="ao">
-                      <data type="double"/>
-                    </attribute>
-                  </choice>
-                  <choice>
-                    <element name="wo">
-                      <data type="double"/>
-                    </element>
-                    <attribute name="wo">
-                      <data type="double"/>
-                    </attribute>
-                  </choice>
-                </choice>
-              </interleave>
-            </element>
-          </zeroOrMore>
-          <optional>
-            <element name="isotropic">
-              <data type="string"/>
-            </element>
-          </optional>
-          <zeroOrMore>
-            <element name="macroscopic">
-              <choice>
-                <element name="name">
-                  <data type="string"/>
-                </element>
-                <attribute name="name">
-                  <data type="string"/>
-                </attribute>
-              </choice>
-            </element>
-          </zeroOrMore>
-          <zeroOrMore>
-            <element name="sab">
-              <interleave>
-                <choice>
-                  <element name="name">
-                    <data type="string"/>
-                  </element>
-                  <attribute name="name">
-                    <data type="string"/>
-                  </attribute>
-                </choice>
-                <optional>
-                  <choice>
-                    <element name="fraction">
-                      <data type="double"/>
-                    </element>
-                    <attribute name="fraction">
-                      <data type="double"/>
-                    </attribute>
-                  </choice>
-                </optional>
-              </interleave>
-            </element>
-          </zeroOrMore>
-        </interleave>
-      </element>
-    </oneOrMore>
-    <optional>
-      <element name="cross_sections">
-        <data type="string">
-          <param name="maxLength">255</param>
-        </data>
-      </element>
-    </optional>
-  </interleave>
-</element>
diff --git a/src/relaxng/mg_cross_sections.rnc b/src/relaxng/mg_cross_sections.rnc
deleted file mode 100644
index b2aaec4d4..000000000
--- a/src/relaxng/mg_cross_sections.rnc
+++ /dev/null
@@ -1,61 +0,0 @@
-element cross_sections {
-
-  element groups { xsd:int } &
-
-  element group_structure { list { xsd:double+ } } &
-
-  element inverse_velocities { list { xsd:double+ } }? &
-
-  element xsdata {
-    (element name { xsd:string { maxLength = "15" } } |
-      attribute name { xsd:string { maxLength = "15" } }) &
-    (element alias { xsd:string { maxLength = "15" } } |
-      attribute alias { xsd:string { maxLength = "15" } })? &
-    (element kT { xsd:double } | attribute kT { xsd:double })? &
-    (element fissionable { ( "true" | "false" ) } |
-      attribute fissionable { ( "true" | "false" ) }) &
-    (element representation { ( "isotropic" | "angle" ) } |
-      attribute representation { ( "isotropic" | "angle" ) })? &
-    (element num_azimuthal { xsd:positiveInteger } |
-      attribute num_azimuthal { xsd:positiveInteger })? &
-    (element num_polar { xsd:positiveInteger } |
-      attribute num_polar { xsd:positiveInteger })? &
-    (element scatt_type { ( "legendre" | "histogram" | "tabular" ) } |
-      attribute scatt_type { ( "legendre" | "histogram" | "tabular" ) })? &
-    (element order { xsd:positiveInteger } |
-      attribute order { xsd:positiveInteger }) &
-    element tabular_legendre {
-      (element enable { ( "true" | "false" ) } |
-       attribute enable { ( "true" | "false" ) })? &
-      (element num_points { xsd:positiveInteger } |
-        attribute num_points { xsd:positiveInteger })?
-    }? &
-
-    (element total { list { xsd:double+ } } |
-      attribute total { list { xsd:double+ } })? &
-
-    (element absorption { list { xsd:double+ } } |
-      attribute absorption { list { xsd:double+ } }) &
-
-    (element scatter { list { xsd:double+ } } |
-      attribute scatter { list { xsd:double+ } }) &
-
-    (element fission { list { xsd:double+ } } |
-      attribute fission { list { xsd:double+ } })? &
-
-    (element fission { list { xsd:double+ } } |
-      attribute fission { list { xsd:double+ } })? &
-
-    (element k_fission { list { xsd:double+ } } |
-      attribute k_fission { list { xsd:double+ } })? &
-
-    (element chi { list { xsd:double+ } } |
-      attribute chi { list { xsd:double+ } })? &
-
-    (element nu_fission { list { xsd:double+ } } |
-      attribute nu_fission { list { xsd:double+ } })?
-
-  }*
-
-
-}
\ No newline at end of file
diff --git a/src/relaxng/mg_cross_sections.rng b/src/relaxng/mg_cross_sections.rng
deleted file mode 100644
index b293cddbe..000000000
--- a/src/relaxng/mg_cross_sections.rng
+++ /dev/null
@@ -1,314 +0,0 @@
-<?xml version="1.0" encoding="UTF-8"?>
-<element name="cross_sections" xmlns="http://relaxng.org/ns/structure/1.0" datatypeLibrary="http://www.w3.org/2001/XMLSchema-datatypes">
-  <interleave>
-    <element name="groups">
-      <data type="int"/>
-    </element>
-    <element name="group_structure">
-      <list>
-        <oneOrMore>
-          <data type="double"/>
-        </oneOrMore>
-      </list>
-    </element>
-    <optional>
-      <element name="inverse_velocities">
-        <list>
-          <oneOrMore>
-            <data type="double"/>
-          </oneOrMore>
-        </list>
-      </element>
-    </optional>
-    <zeroOrMore>
-      <element name="xsdata">
-        <interleave>
-          <choice>
-            <element name="name">
-              <data type="string">
-                <param name="maxLength">15</param>
-              </data>
-            </element>
-            <attribute name="name">
-              <data type="string">
-                <param name="maxLength">15</param>
-              </data>
-            </attribute>
-          </choice>
-          <optional>
-            <choice>
-              <element name="alias">
-                <data type="string">
-                  <param name="maxLength">15</param>
-                </data>
-              </element>
-              <attribute name="alias">
-                <data type="string">
-                  <param name="maxLength">15</param>
-                </data>
-              </attribute>
-            </choice>
-          </optional>
-          <optional>
-            <choice>
-              <element name="kT">
-                <data type="double"/>
-              </element>
-              <attribute name="kT">
-                <data type="double"/>
-              </attribute>
-            </choice>
-          </optional>
-          <choice>
-            <element name="fissionable">
-              <choice>
-                <value>true</value>
-                <value>false</value>
-              </choice>
-            </element>
-            <attribute name="fissionable">
-              <choice>
-                <value>true</value>
-                <value>false</value>
-              </choice>
-            </attribute>
-          </choice>
-          <optional>
-            <choice>
-              <element name="representation">
-                <choice>
-                  <value>isotropic</value>
-                  <value>angle</value>
-                </choice>
-              </element>
-              <attribute name="representation">
-                <choice>
-                  <value>isotropic</value>
-                  <value>angle</value>
-                </choice>
-              </attribute>
-            </choice>
-          </optional>
-          <optional>
-            <choice>
-              <element name="num_azimuthal">
-                <data type="positiveInteger"/>
-              </element>
-              <attribute name="num_azimuthal">
-                <data type="positiveInteger"/>
-              </attribute>
-            </choice>
-          </optional>
-          <optional>
-            <choice>
-              <element name="num_polar">
-                <data type="positiveInteger"/>
-              </element>
-              <attribute name="num_polar">
-                <data type="positiveInteger"/>
-              </attribute>
-            </choice>
-          </optional>
-          <optional>
-            <choice>
-              <element name="scatt_type">
-                <choice>
-                  <value>legendre</value>
-                  <value>histogram</value>
-                  <value>tabular</value>
-                </choice>
-              </element>
-              <attribute name="scatt_type">
-                <choice>
-                  <value>legendre</value>
-                  <value>histogram</value>
-                  <value>tabular</value>
-                </choice>
-              </attribute>
-            </choice>
-          </optional>
-          <choice>
-            <element name="order">
-              <data type="positiveInteger"/>
-            </element>
-            <attribute name="order">
-              <data type="positiveInteger"/>
-            </attribute>
-          </choice>
-          <optional>
-            <element name="tabular_legendre">
-              <interleave>
-                <optional>
-                  <choice>
-                    <element name="enable">
-                      <choice>
-                        <value>true</value>
-                        <value>false</value>
-                      </choice>
-                    </element>
-                    <attribute name="enable">
-                      <choice>
-                        <value>true</value>
-                        <value>false</value>
-                      </choice>
-                    </attribute>
-                  </choice>
-                </optional>
-                <optional>
-                  <choice>
-                    <element name="num_points">
-                      <data type="positiveInteger"/>
-                    </element>
-                    <attribute name="num_points">
-                      <data type="positiveInteger"/>
-                    </attribute>
-                  </choice>
-                </optional>
-              </interleave>
-            </element>
-          </optional>
-          <optional>
-            <choice>
-              <element name="total">
-                <list>
-                  <oneOrMore>
-                    <data type="double"/>
-                  </oneOrMore>
-                </list>
-              </element>
-              <attribute name="total">
-                <list>
-                  <oneOrMore>
-                    <data type="double"/>
-                  </oneOrMore>
-                </list>
-              </attribute>
-            </choice>
-          </optional>
-          <choice>
-            <element name="absorption">
-              <list>
-                <oneOrMore>
-                  <data type="double"/>
-                </oneOrMore>
-              </list>
-            </element>
-            <attribute name="absorption">
-              <list>
-                <oneOrMore>
-                  <data type="double"/>
-                </oneOrMore>
-              </list>
-            </attribute>
-          </choice>
-          <choice>
-            <element name="scatter">
-              <list>
-                <oneOrMore>
-                  <data type="double"/>
-                </oneOrMore>
-              </list>
-            </element>
-            <attribute name="scatter">
-              <list>
-                <oneOrMore>
-                  <data type="double"/>
-                </oneOrMore>
-              </list>
-            </attribute>
-          </choice>
-          <optional>
-            <choice>
-              <element name="fission">
-                <list>
-                  <oneOrMore>
-                    <data type="double"/>
-                  </oneOrMore>
-                </list>
-              </element>
-              <attribute name="fission">
-                <list>
-                  <oneOrMore>
-                    <data type="double"/>
-                  </oneOrMore>
-                </list>
-              </attribute>
-            </choice>
-          </optional>
-          <optional>
-            <choice>
-              <element name="fission">
-                <list>
-                  <oneOrMore>
-                    <data type="double"/>
-                  </oneOrMore>
-                </list>
-              </element>
-              <attribute name="fission">
-                <list>
-                  <oneOrMore>
-                    <data type="double"/>
-                  </oneOrMore>
-                </list>
-              </attribute>
-            </choice>
-          </optional>
-          <optional>
-            <choice>
-              <element name="k_fission">
-                <list>
-                  <oneOrMore>
-                    <data type="double"/>
-                  </oneOrMore>
-                </list>
-              </element>
-              <attribute name="k_fission">
-                <list>
-                  <oneOrMore>
-                    <data type="double"/>
-                  </oneOrMore>
-                </list>
-              </attribute>
-            </choice>
-          </optional>
-          <optional>
-            <choice>
-              <element name="chi">
-                <list>
-                  <oneOrMore>
-                    <data type="double"/>
-                  </oneOrMore>
-                </list>
-              </element>
-              <attribute name="chi">
-                <list>
-                  <oneOrMore>
-                    <data type="double"/>
-                  </oneOrMore>
-                </list>
-              </attribute>
-            </choice>
-          </optional>
-          <optional>
-            <choice>
-              <element name="nu_fission">
-                <list>
-                  <oneOrMore>
-                    <data type="double"/>
-                  </oneOrMore>
-                </list>
-              </element>
-              <attribute name="nu_fission">
-                <list>
-                  <oneOrMore>
-                    <data type="double"/>
-                  </oneOrMore>
-                </list>
-              </attribute>
-            </choice>
-          </optional>
-        </interleave>
-      </element>
-    </zeroOrMore>
-  </interleave>
-</element>
diff --git a/src/relaxng/plots.rnc b/src/relaxng/plots.rnc
deleted file mode 100644
index e53cc15f7..000000000
--- a/src/relaxng/plots.rnc
+++ /dev/null
@@ -1,41 +0,0 @@
-element plots {
-  element plot {
-    (element id { xsd:int } | attribute id { xsd:int })? &
-    (element filename { xsd:string { maxLength = "50" } } |
-      attribute filename { xsd:string { maxLength = "50" } })? &
-    (element type { "slice" | "voxel" } |
-      attribute type { "slice" | "voxel" })? &
-    (element color_by { ( "cell" | "material" ) } |
-      attribute color_by { ( "cell" | "material" ) })? &
-    (element level { xsd:int } | attribute level { xsd:int })? &
-    (element origin { list { xsd:double+ } } |
-      attribute origin { list { xsd:double+ } })? &
-    (element width { list { xsd:double+ } } |
-      attribute width { list { xsd:double+ } })? &
-    (element basis { ( "xy" | "yz" | "xz" ) } |
-      attribute basis { ( "xy" | "yz" | "xz" ) })? &
-    (element pixels { list { xsd:int+ } } |
-      attribute pixels { list { xsd:int+ } })? &
-    (element background { list { xsd:int+ } } |
-      attribute background { list { xsd:int+ } })? &
-    element color {
-      (element id { xsd:int } | attribute id { xsd:int }) &
-      (element rgb { list { xsd:int+ } } |
-        attribute rgb { list { xsd:int+ } })
-    }* &
-    element mask {
-      (element components { list { xsd:int+ } } |
-        attribute components { list { xsd:int+ } }) &
-      (element background { list { xsd:int+ } } |
-        attribute background { list { xsd:int+ } })
-    }* &
-    element meshlines {
-      (element meshtype { ( "tally" | "entropy" | "ufs" | "cmfd" ) } |
-        attribute meshtype { ( "tally" | "entropy" | "ufs" | "cmfd" ) }) &
-      (element id { xsd:int } | attribute id { xsd:int })? &
-      (element linewidth { xsd:int } | attribute linewidth { xsd:int }) &
-      (element color { list { xsd:int+ } } |
-        attribute color { list { xsd:int+ } })?
-    }*
-  }*
-}
diff --git a/src/relaxng/plots.rng b/src/relaxng/plots.rng
deleted file mode 100644
index 55d69008e..000000000
--- a/src/relaxng/plots.rng
+++ /dev/null
@@ -1,293 +0,0 @@
-<?xml version="1.0" encoding="UTF-8"?>
-<element name="plots" xmlns="http://relaxng.org/ns/structure/1.0" datatypeLibrary="http://www.w3.org/2001/XMLSchema-datatypes">
-  <zeroOrMore>
-    <element name="plot">
-      <interleave>
-        <optional>
-          <choice>
-            <element name="id">
-              <data type="int"/>
-            </element>
-            <attribute name="id">
-              <data type="int"/>
-            </attribute>
-          </choice>
-        </optional>
-        <optional>
-          <choice>
-            <element name="filename">
-              <data type="string">
-                <param name="maxLength">50</param>
-              </data>
-            </element>
-            <attribute name="filename">
-              <data type="string">
-                <param name="maxLength">50</param>
-              </data>
-            </attribute>
-          </choice>
-        </optional>
-        <optional>
-          <choice>
-            <element name="type">
-              <choice>
-                <value>slice</value>
-                <value>voxel</value>
-              </choice>
-            </element>
-            <attribute name="type">
-              <choice>
-                <value>slice</value>
-                <value>voxel</value>
-              </choice>
-            </attribute>
-          </choice>
-        </optional>
-        <optional>
-          <choice>
-            <element name="color_by">
-              <choice>
-                <value>cell</value>
-                <value>material</value>
-              </choice>
-            </element>
-            <attribute name="color_by">
-              <choice>
-                <value>cell</value>
-                <value>material</value>
-              </choice>
-            </attribute>
-          </choice>
-        </optional>
-        <optional>
-          <choice>
-            <element name="level">
-              <data type="int"/>
-            </element>
-            <attribute name="level">
-              <data type="int"/>
-            </attribute>
-          </choice>
-        </optional>
-        <optional>
-          <choice>
-            <element name="origin">
-              <list>
-                <oneOrMore>
-                  <data type="double"/>
-                </oneOrMore>
-              </list>
-            </element>
-            <attribute name="origin">
-              <list>
-                <oneOrMore>
-                  <data type="double"/>
-                </oneOrMore>
-              </list>
-            </attribute>
-          </choice>
-        </optional>
-        <optional>
-          <choice>
-            <element name="width">
-              <list>
-                <oneOrMore>
-                  <data type="double"/>
-                </oneOrMore>
-              </list>
-            </element>
-            <attribute name="width">
-              <list>
-                <oneOrMore>
-                  <data type="double"/>
-                </oneOrMore>
-              </list>
-            </attribute>
-          </choice>
-        </optional>
-        <optional>
-          <choice>
-            <element name="basis">
-              <choice>
-                <value>xy</value>
-                <value>yz</value>
-                <value>xz</value>
-              </choice>
-            </element>
-            <attribute name="basis">
-              <choice>
-                <value>xy</value>
-                <value>yz</value>
-                <value>xz</value>
-              </choice>
-            </attribute>
-          </choice>
-        </optional>
-        <optional>
-          <choice>
-            <element name="pixels">
-              <list>
-                <oneOrMore>
-                  <data type="int"/>
-                </oneOrMore>
-              </list>
-            </element>
-            <attribute name="pixels">
-              <list>
-                <oneOrMore>
-                  <data type="int"/>
-                </oneOrMore>
-              </list>
-            </attribute>
-          </choice>
-        </optional>
-        <optional>
-          <choice>
-            <element name="background">
-              <list>
-                <oneOrMore>
-                  <data type="int"/>
-                </oneOrMore>
-              </list>
-            </element>
-            <attribute name="background">
-              <list>
-                <oneOrMore>
-                  <data type="int"/>
-                </oneOrMore>
-              </list>
-            </attribute>
-          </choice>
-        </optional>
-        <zeroOrMore>
-          <element name="color">
-            <interleave>
-              <choice>
-                <element name="id">
-                  <data type="int"/>
-                </element>
-                <attribute name="id">
-                  <data type="int"/>
-                </attribute>
-              </choice>
-              <choice>
-                <element name="rgb">
-                  <list>
-                    <oneOrMore>
-                      <data type="int"/>
-                    </oneOrMore>
-                  </list>
-                </element>
-                <attribute name="rgb">
-                  <list>
-                    <oneOrMore>
-                      <data type="int"/>
-                    </oneOrMore>
-                  </list>
-                </attribute>
-              </choice>
-            </interleave>
-          </element>
-        </zeroOrMore>
-        <zeroOrMore>
-          <element name="mask">
-            <interleave>
-              <choice>
-                <element name="components">
-                  <list>
-                    <oneOrMore>
-                      <data type="int"/>
-                    </oneOrMore>
-                  </list>
-                </element>
-                <attribute name="components">
-                  <list>
-                    <oneOrMore>
-                      <data type="int"/>
-                    </oneOrMore>
-                  </list>
-                </attribute>
-              </choice>
-              <choice>
-                <element name="background">
-                  <list>
-                    <oneOrMore>
-                      <data type="int"/>
-                    </oneOrMore>
-                  </list>
-                </element>
-                <attribute name="background">
-                  <list>
-                    <oneOrMore>
-                      <data type="int"/>
-                    </oneOrMore>
-                  </list>
-                </attribute>
-              </choice>
-            </interleave>
-          </element>
-        </zeroOrMore>
-        <zeroOrMore>
-          <element name="meshlines">
-            <interleave>
-              <choice>
-                <element name="meshtype">
-                  <choice>
-                    <value>tally</value>
-                    <value>entropy</value>
-                    <value>ufs</value>
-                    <value>cmfd</value>
-                  </choice>
-                </element>
-                <attribute name="meshtype">
-                  <choice>
-                    <value>tally</value>
-                    <value>entropy</value>
-                    <value>ufs</value>
-                    <value>cmfd</value>
-                  </choice>
-                </attribute>
-              </choice>
-              <optional>
-                <choice>
-                  <element name="id">
-                    <data type="int"/>
-                  </element>
-                  <attribute name="id">
-                    <data type="int"/>
-                  </attribute>
-                </choice>
-              </optional>
-              <choice>
-                <element name="linewidth">
-                  <data type="int"/>
-                </element>
-                <attribute name="linewidth">
-                  <data type="int"/>
-                </attribute>
-              </choice>
-              <optional>
-                <choice>
-                  <element name="color">
-                    <list>
-                      <oneOrMore>
-                        <data type="int"/>
-                      </oneOrMore>
-                    </list>
-                  </element>
-                  <attribute name="color">
-                    <list>
-                      <oneOrMore>
-                        <data type="int"/>
-                      </oneOrMore>
-                    </list>
-                  </attribute>
-                </choice>
-              </optional>
-            </interleave>
-          </element>
-        </zeroOrMore>
-      </interleave>
-    </element>
-  </zeroOrMore>
-</element>
diff --git a/src/relaxng/readme.rst b/src/relaxng/readme.rst
deleted file mode 100644
index 9660e3f8c..000000000
--- a/src/relaxng/readme.rst
+++ /dev/null
@@ -1,19 +0,0 @@
-=====================
-Editing RelaxNG files
-=====================
-
-All direct edits to RelaxNG files should be in the .rnc files. The program
-TRANG_ should be used to generate a correcsponding .rng file. For Ubuntu, you
-can install with:
-
-.. code-block:: bash
- 
-   sudo apt-get install trang
-
-To convert the .rnc file to .rng, use the following syntax:
-
-.. code-block:: bash
- 
-   trang {filename}.rnc {filename}.rng
-
-.. _TRANG: http://www.thaiopensource.com/relaxng/trang.html
diff --git a/src/relaxng/settings.rnc b/src/relaxng/settings.rnc
deleted file mode 100644
index f9877a3f9..000000000
--- a/src/relaxng/settings.rnc
+++ /dev/null
@@ -1,204 +0,0 @@
-element settings {
-  element batches { xsd:positiveInteger }? &
-
-  element confidence_intervals { xsd:boolean }? &
-
-  element create_fission_neutrons { xsd:boolean }? &
-
-  element cutoff {
-    (element weight { xsd:double } | attribute weight { xsd:double })? &
-    (element weight_avg { xsd:double } | attribute weight_avg { xsd:double })? &
-    (element energy_neutron { xsd:double } | attribute energy_neutron { xsd:double })? &
-    (element energy_photon { xsd:double } | attribute energy_photon { xsd:double })? &
-    (element energy_electron { xsd:double } | attribute energy_electron { xsd:double })? &
-    (element energy_positron { xsd:double } | attribute energy_positron { xsd:double })?
-  }? &
-
-  element delayed_photon_scaling { xsd:boolean }? &
-
-  element electron_treatment { ( "led" | "ttb" ) }? &
-
-  element energy_grid { ( "nuclide" | "log" | "logarithm" | "logarithmic" | "material-union" | "union" ) }? &
-
-  element energy_mode { ( "continuous-energy" | "ce" | "CE" | "multi-group" | "mg" | "MG" ) }? &
-
-  element entropy_mesh { xsd:positiveInteger }? &
-  
-  element event_based { xsd:boolean }? &
-  
-  element generations_per_batch { xsd:positiveInteger }? &
-
-  element inactive { xsd:nonNegativeInteger }? &
-
-  element keff_trigger {
-    (element type { xsd:string } | attribute type { xsd:string }) &
-    (element threshold { xsd:double} | attribute threshold { xsd:double })
-  }? &
-
-  element log_grid_bins { xsd:positiveInteger }? &
-
-  element material_cell_offsets { xsd:boolean }? &
-  
-  element max_particles_in_flight { xsd:positiveInteger }? &
-
-  element max_order { xsd:nonNegativeInteger }? &
-
-  element mesh {
-    (element id { xsd:int } | attribute id { xsd:int }) &
-    (element type { ( "regular" ) } |
-      attribute type { ( "regular" ) })? &
-    (element dimension { list { xsd:positiveInteger+ } } |
-      attribute dimension { list { xsd:positiveInteger+ } }) &
-    (element lower_left { list { xsd:double+ } } |
-      attribute lower_left { list { xsd:double+ } }) &
-    (
-      (element upper_right { list { xsd:double+ } } |
-        attribute upper_right { list { xsd:double+ } }) |
-      (element width { list { xsd:double+ } } |
-        attribute width { list { xsd:double+ } })
-    )
-  }* &
-
-  element no_reduce { xsd:boolean }? &
-
-  element output {
-    (element summary { xsd:boolean } | attribute summary { xsd:boolean })? &
-    (element tallies { xsd:boolean } | attribute tallies { xsd:boolean })? &
-    (element path { xsd:string } | attribute path { xsd:string })?
-  }? &
-
-  element particles { xsd:positiveInteger }? &
-
-  element photon_transport { xsd:boolean }? &
-
-  element ptables { xsd:boolean }? &
-
-  element dagmc { xsd:boolean }? &
-
-  element run_mode { xsd:string }? &
-
-  element seed { xsd:positiveInteger }? &
-
-  element source {
-    grammar {
-      start =
-        (element particle { xsd:string } | attribute particle { xsd:string })? &
-        (element strength { xsd:double } | attribute strength { xsd:double })? &
-        (element file { xsd:string } | attribute file { xsd:string })? &
-        element space {
-          (element type { xsd:string } | attribute type { xsd:string }) &
-          (element parameters { list { xsd:double+ } } |
-            attribute parameters { list { xsd:double+ } })? &
-          element x { distribution }? &
-          element y { distribution }? &
-          element z { distribution }? &
-          element r { distribution }? &
-          element theta { distribution }? &
-          element phi { distribution }? &
-          element origin { list { xsd:double, xsd:double, xsd:double } }?
-        }? &
-        element angle {
-          (element type { xsd:string } | attribute type { xsd:string }) &
-          (element reference_uvw { list { xsd:double, xsd:double, xsd:double } } |
-            attribute reference_uvw { list { xsd:double, xsd:double, xsd:double } })? &
-          element mu { distribution }? &
-          element phi { distribution }?
-        }? &
-        element energy { distribution }?
-      distribution =
-        (element type { xsd:string { maxLength = "16" } } |
-          attribute type { xsd:string { maxLength = "16" } }) &
-        (element interpolation { xsd:string } |
-          attribute interpolation { xsd:string })? &
-        (element parameters { list { xsd:double+ } } |
-          attribute parameters { list { xsd:double+ } })?
-    }
-  }* &
-
-  element state_point {
-    (
-      (element batches { list { xsd:positiveInteger+ } } |
-        attribute batches { list { xsd:positiveInteger+ } }) |
-      (element interval { xsd:positiveInteger } |
-        attribute interval { xsd:positiveInteger })
-    )
-  }? &
-
-  element source_point {
-    (
-      (element batches { list { xsd:positiveInteger+ } } |
-        attribute batches { list { xsd:positiveInteger+ } }) |
-      (element interval { xsd:positiveInteger } |
-        attribute interval { xsd:positiveInteger })
-    )? &
-    (element separate { xsd:boolean } |
-      attribute separate { xsd:boolean })? &
-    (element write { xsd:boolean } |
-      attribute write { xsd:boolean })? &
-    (element overwrite_latest { xsd:boolean} |
-      attribute overwrite_latest {xsd:boolean})?
-  }? &
-
-  element surf_source_read {
-    (element path { xsd:string } | attribute path { xsd:string })
-  }? &
-
-  element surf_source_write {
-    (element surface_ids { list { xsd:positiveInteger+ } } |
-      attribute surface_ids { list { xsd:positiveInteger+ } }) &
-    (element max_particles { xsd:positiveInteger } |
-      attribute max_particles { xsd:positiveInteger })
-  }? &
-
-  element survival_biasing { xsd:boolean }? &
-
-  element temperature_default { xsd:double }? &
-
-  element temperature_method { xsd:string }? &
-
-  element temperature_multipole { xsd:boolean }? &
-
-  element temperature_range { list { xsd:double, xsd:double } }? &
-
-  element temperature_tolerance { xsd:double }? &
-
-  element threads { xsd:positiveInteger }? &
-
-  element trace { list { xsd:positiveInteger+ } }? &
-
-  element track { list { xsd:positiveInteger+ } }? &
-
-  element trigger {
-    (element active { xsd:boolean } | attribute active { xsd:boolean }) &
-    (element max_batches { xsd:positiveInteger } | attribute max_batches { xsd:positiveInteger }) &
-    (element batch_interval { xsd:positiveInteger } | attribute batch_interval { xsd:positiveInteger })?
-  }? &
-
-  element ufs_mesh { xsd:positiveInteger }? &
-
-  element verbosity { xsd:positiveInteger }? &
-
-  element volume_calc {
-    (element domain_type { xsd:string } |
-      attribute domain_type { xsd:string }) &
-    (element domain_ids { list { xsd:integer+ } } |
-      attribute domain_ids { list { xsd:integer+ } }) &
-    (element samples { xsd:positiveInteger } |
-      attribute samples { xsd:positiveInteger }) &
-    (element lower_left { list { xsd:double+ } } |
-      attribute lower_left { list { xsd:double+ } }) &
-    (element upper_right { list { xsd:double+ } } |
-      attribute upper_right { list { xsd:double+ } })
-  }* &
-
-  element write_initial_source { xsd:boolean }? &
-
-  element resonance_scattering {
-    (element enable { xsd:boolean } | attribute enable { xsd:boolean })? &
-    (element method { xsd:string } | attribute method { xsd:string })? &
-    (element energy_min { xsd:double } | attribute energy_min { xsd:double })? &
-    (element energy_max { xsd:double } | attribute energy_max { xsd:double })? &
-    (element nuclides { list { xsd:string+ } } |
-      attribute nuclides { list { xsd:string+ } })?
-  }?
-}
diff --git a/src/relaxng/settings.rng b/src/relaxng/settings.rng
deleted file mode 100644
index 07b8a6d1d..000000000
--- a/src/relaxng/settings.rng
+++ /dev/null
@@ -1,921 +0,0 @@
-<?xml version="1.0" encoding="UTF-8"?>
-<element name="settings" xmlns="http://relaxng.org/ns/structure/1.0" datatypeLibrary="http://www.w3.org/2001/XMLSchema-datatypes">
-  <interleave>
-    <optional>
-      <element name="batches">
-        <data type="positiveInteger"/>
-      </element>
-    </optional>
-    <optional>
-      <element name="confidence_intervals">
-        <data type="boolean"/>
-      </element>
-    </optional>
-    <optional>
-      <element name="create_fission_neutrons">
-        <data type="boolean"/>
-      </element>
-    </optional>
-    <optional>
-      <element name="cutoff">
-        <interleave>
-          <optional>
-            <choice>
-              <element name="weight">
-                <data type="double"/>
-              </element>
-              <attribute name="weight">
-                <data type="double"/>
-              </attribute>
-            </choice>
-          </optional>
-          <optional>
-            <choice>
-              <element name="weight_avg">
-                <data type="double"/>
-              </element>
-              <attribute name="weight_avg">
-                <data type="double"/>
-              </attribute>
-            </choice>
-          </optional>
-          <optional>
-            <choice>
-              <element name="energy_neutron">
-                <data type="double"/>
-              </element>
-              <attribute name="energy_neutron">
-                <data type="double"/>
-              </attribute>
-            </choice>
-          </optional>
-          <optional>
-            <choice>
-              <element name="energy_photon">
-                <data type="double"/>
-              </element>
-              <attribute name="energy_photon">
-                <data type="double"/>
-              </attribute>
-            </choice>
-          </optional>
-          <optional>
-            <choice>
-              <element name="energy_electron">
-                <data type="double"/>
-              </element>
-              <attribute name="energy_electron">
-                <data type="double"/>
-              </attribute>
-            </choice>
-          </optional>
-          <optional>
-            <choice>
-              <element name="energy_positron">
-                <data type="double"/>
-              </element>
-              <attribute name="energy_positron">
-                <data type="double"/>
-              </attribute>
-            </choice>
-          </optional>
-        </interleave>
-      </element>
-    </optional>
-    <optional>
-      <element name="delayed_photon_scaling">
-        <data type="boolean"/>
-      </element>
-    </optional>
-    <optional>
-      <element name="event_based">
-        <data type="boolean"/>
-      </element>
-    </optional>
-    <optional>
-      <element name="max_particles_in_flight">
-        <data type="positiveInteger"/>
-      </element>
-    </optional>
-    <optional>
-      <element name="electron_treatment">
-        <choice>
-          <value>led</value>
-          <value>ttb</value>
-        </choice>
-      </element>
-    </optional>
-    <optional>
-      <element name="energy_grid">
-        <choice>
-          <value>nuclide</value>
-          <value>log</value>
-          <value>logarithm</value>
-          <value>logarithmic</value>
-          <value>material-union</value>
-          <value>union</value>
-        </choice>
-      </element>
-    </optional>
-    <optional>
-      <element name="energy_mode">
-        <choice>
-          <value>continuous-energy</value>
-          <value>ce</value>
-          <value>CE</value>
-          <value>multi-group</value>
-          <value>mg</value>
-          <value>MG</value>
-        </choice>
-      </element>
-    </optional>
-    <optional>
-      <element name="entropy_mesh">
-        <data type="positiveInteger"/>
-      </element>
-    </optional>
-    <optional>
-      <element name="generations_per_batch">
-        <data type="positiveInteger"/>
-      </element>
-    </optional>
-    <optional>
-      <element name="inactive">
-        <data type="nonNegativeInteger"/>
-      </element>
-    </optional>
-    <optional>
-      <element name="keff_trigger">
-        <interleave>
-          <choice>
-            <element name="type">
-              <data type="string"/>
-            </element>
-            <attribute name="type">
-              <data type="string"/>
-            </attribute>
-          </choice>
-          <choice>
-            <element name="threshold">
-              <data type="double"/>
-            </element>
-            <attribute name="threshold">
-              <data type="double"/>
-            </attribute>
-          </choice>
-        </interleave>
-      </element>
-    </optional>
-    <optional>
-      <element name="log_grid_bins">
-        <data type="positiveInteger"/>
-      </element>
-    </optional>
-    <optional>
-      <element name="material_cell_offsets">
-        <data type="boolean"/>
-      </element>
-    </optional>
-    <optional>
-      <element name="max_order">
-        <data type="nonNegativeInteger"/>
-      </element>
-    </optional>
-    <zeroOrMore>
-      <element name="mesh">
-        <interleave>
-          <choice>
-            <element name="id">
-              <data type="int"/>
-            </element>
-            <attribute name="id">
-              <data type="int"/>
-            </attribute>
-          </choice>
-          <optional>
-            <choice>
-              <element name="type">
-                <value>regular</value>
-              </element>
-              <attribute name="type">
-                <value>regular</value>
-              </attribute>
-            </choice>
-          </optional>
-          <choice>
-            <element name="dimension">
-              <list>
-                <oneOrMore>
-                  <data type="positiveInteger"/>
-                </oneOrMore>
-              </list>
-            </element>
-            <attribute name="dimension">
-              <list>
-                <oneOrMore>
-                  <data type="positiveInteger"/>
-                </oneOrMore>
-              </list>
-            </attribute>
-          </choice>
-          <choice>
-            <element name="lower_left">
-              <list>
-                <oneOrMore>
-                  <data type="double"/>
-                </oneOrMore>
-              </list>
-            </element>
-            <attribute name="lower_left">
-              <list>
-                <oneOrMore>
-                  <data type="double"/>
-                </oneOrMore>
-              </list>
-            </attribute>
-          </choice>
-          <choice>
-            <choice>
-              <element name="upper_right">
-                <list>
-                  <oneOrMore>
-                    <data type="double"/>
-                  </oneOrMore>
-                </list>
-              </element>
-              <attribute name="upper_right">
-                <list>
-                  <oneOrMore>
-                    <data type="double"/>
-                  </oneOrMore>
-                </list>
-              </attribute>
-            </choice>
-            <choice>
-              <element name="width">
-                <list>
-                  <oneOrMore>
-                    <data type="double"/>
-                  </oneOrMore>
-                </list>
-              </element>
-              <attribute name="width">
-                <list>
-                  <oneOrMore>
-                    <data type="double"/>
-                  </oneOrMore>
-                </list>
-              </attribute>
-            </choice>
-          </choice>
-        </interleave>
-      </element>
-    </zeroOrMore>
-    <optional>
-      <element name="no_reduce">
-        <data type="boolean"/>
-      </element>
-    </optional>
-    <optional>
-      <element name="output">
-        <interleave>
-          <optional>
-            <choice>
-              <element name="summary">
-                <data type="boolean"/>
-              </element>
-              <attribute name="summary">
-                <data type="boolean"/>
-              </attribute>
-            </choice>
-          </optional>
-          <optional>
-            <choice>
-              <element name="tallies">
-                <data type="boolean"/>
-              </element>
-              <attribute name="tallies">
-                <data type="boolean"/>
-              </attribute>
-            </choice>
-          </optional>
-          <optional>
-            <choice>
-              <element name="path">
-                <data type="string"/>
-              </element>
-              <attribute name="path">
-                <data type="string"/>
-              </attribute>
-            </choice>
-          </optional>
-        </interleave>
-      </element>
-    </optional>
-    <optional>
-      <element name="particles">
-        <data type="positiveInteger"/>
-      </element>
-    </optional>
-    <optional>
-      <element name="photon_transport">
-        <data type="boolean"/>
-      </element>
-    </optional>
-    <optional>
-      <element name="ptables">
-        <data type="boolean"/>
-      </element>
-    </optional>
-    <optional>
-      <element name="dagmc">
-        <data type="boolean"/>
-      </element>
-    </optional>
-    <optional>
-      <element name="run_mode">
-        <data type="string"/>
-      </element>
-    </optional>
-    <optional>
-      <element name="seed">
-        <data type="positiveInteger"/>
-      </element>
-    </optional>
-    <zeroOrMore>
-      <element name="source">
-        <grammar>
-          <start>
-            <interleave>
-              <optional>
-                <choice>
-                  <element name="particle">
-                    <data type="string"/>
-                  </element>
-                  <attribute name="particle">
-                    <data type="string"/>
-                  </attribute>
-                </choice>
-              </optional>
-              <optional>
-                <choice>
-                  <element name="strength">
-                    <data type="double"/>
-                  </element>
-                  <attribute name="strength">
-                    <data type="double"/>
-                  </attribute>
-                </choice>
-              </optional>
-              <optional>
-                <choice>
-                  <element name="file">
-                    <data type="string"/>
-                  </element>
-                  <attribute name="file">
-                    <data type="string"/>
-                  </attribute>
-                </choice>
-              </optional>
-              <optional>
-                <element name="space">
-                  <interleave>
-                    <choice>
-                      <element name="type">
-                        <data type="string"/>
-                      </element>
-                      <attribute name="type">
-                        <data type="string"/>
-                      </attribute>
-                    </choice>
-                    <optional>
-                      <choice>
-                        <element name="parameters">
-                          <list>
-                            <oneOrMore>
-                              <data type="double"/>
-                            </oneOrMore>
-                          </list>
-                        </element>
-                        <attribute name="parameters">
-                          <list>
-                            <oneOrMore>
-                              <data type="double"/>
-                            </oneOrMore>
-                          </list>
-                        </attribute>
-                      </choice>
-                    </optional>
-                    <optional>
-                      <element name="x">
-                        <ref name="distribution"/>
-                      </element>
-                    </optional>
-                    <optional>
-                      <element name="y">
-                        <ref name="distribution"/>
-                      </element>
-                    </optional>
-                    <optional>
-                      <element name="z">
-                        <ref name="distribution"/>
-                      </element>
-                    </optional>
-                    <optional>
-                      <element name="r">
-                        <ref name="distribution"/>
-                      </element>
-                    </optional>
-                    <optional>
-                      <element name="theta">
-                        <ref name="distribution"/>
-                      </element>
-                    </optional>
-                    <optional>
-                      <element name="phi">
-                        <ref name="distribution"/>
-                      </element>
-                    </optional>
-                    <optional>
-                      <element name="origin">
-                        <list>
-                          <data type="double"/>
-                          <data type="double"/>
-                          <data type="double"/>
-                        </list>
-                      </element>
-                    </optional>
-                  </interleave>
-                </element>
-              </optional>
-              <optional>
-                <element name="angle">
-                  <interleave>
-                    <choice>
-                      <element name="type">
-                        <data type="string"/>
-                      </element>
-                      <attribute name="type">
-                        <data type="string"/>
-                      </attribute>
-                    </choice>
-                    <optional>
-                      <choice>
-                        <element name="reference_uvw">
-                          <list>
-                            <data type="double"/>
-                            <data type="double"/>
-                            <data type="double"/>
-                          </list>
-                        </element>
-                        <attribute name="reference_uvw">
-                          <list>
-                            <data type="double"/>
-                            <data type="double"/>
-                            <data type="double"/>
-                          </list>
-                        </attribute>
-                      </choice>
-                    </optional>
-                    <optional>
-                      <element name="mu">
-                        <ref name="distribution"/>
-                      </element>
-                    </optional>
-                    <optional>
-                      <element name="phi">
-                        <ref name="distribution"/>
-                      </element>
-                    </optional>
-                  </interleave>
-                </element>
-              </optional>
-              <optional>
-                <element name="energy">
-                  <ref name="distribution"/>
-                </element>
-              </optional>
-            </interleave>
-          </start>
-          <define name="distribution">
-            <interleave>
-              <choice>
-                <element name="type">
-                  <data type="string">
-                    <param name="maxLength">16</param>
-                  </data>
-                </element>
-                <attribute name="type">
-                  <data type="string">
-                    <param name="maxLength">16</param>
-                  </data>
-                </attribute>
-              </choice>
-              <optional>
-                <choice>
-                  <element name="interpolation">
-                    <data type="string"/>
-                  </element>
-                  <attribute name="interpolation">
-                    <data type="string"/>
-                  </attribute>
-                </choice>
-              </optional>
-              <optional>
-                <choice>
-                  <element name="parameters">
-                    <list>
-                      <oneOrMore>
-                        <data type="double"/>
-                      </oneOrMore>
-                    </list>
-                  </element>
-                  <attribute name="parameters">
-                    <list>
-                      <oneOrMore>
-                        <data type="double"/>
-                      </oneOrMore>
-                    </list>
-                  </attribute>
-                </choice>
-              </optional>
-            </interleave>
-          </define>
-        </grammar>
-      </element>
-    </zeroOrMore>
-    <optional>
-      <element name="state_point">
-        <choice>
-          <choice>
-            <element name="batches">
-              <list>
-                <oneOrMore>
-                  <data type="positiveInteger"/>
-                </oneOrMore>
-              </list>
-            </element>
-            <attribute name="batches">
-              <list>
-                <oneOrMore>
-                  <data type="positiveInteger"/>
-                </oneOrMore>
-              </list>
-            </attribute>
-          </choice>
-          <choice>
-            <element name="interval">
-              <data type="positiveInteger"/>
-            </element>
-            <attribute name="interval">
-              <data type="positiveInteger"/>
-            </attribute>
-          </choice>
-        </choice>
-      </element>
-    </optional>
-    <optional>
-      <element name="source_point">
-        <interleave>
-          <optional>
-            <choice>
-              <choice>
-                <element name="batches">
-                  <list>
-                    <oneOrMore>
-                      <data type="positiveInteger"/>
-                    </oneOrMore>
-                  </list>
-                </element>
-                <attribute name="batches">
-                  <list>
-                    <oneOrMore>
-                      <data type="positiveInteger"/>
-                    </oneOrMore>
-                  </list>
-                </attribute>
-              </choice>
-              <choice>
-                <element name="interval">
-                  <data type="positiveInteger"/>
-                </element>
-                <attribute name="interval">
-                  <data type="positiveInteger"/>
-                </attribute>
-              </choice>
-            </choice>
-          </optional>
-          <optional>
-            <choice>
-              <element name="separate">
-                <data type="boolean"/>
-              </element>
-              <attribute name="separate">
-                <data type="boolean"/>
-              </attribute>
-            </choice>
-          </optional>
-          <optional>
-            <choice>
-              <element name="write">
-                <data type="boolean"/>
-              </element>
-              <attribute name="write">
-                <data type="boolean"/>
-              </attribute>
-            </choice>
-          </optional>
-          <optional>
-            <choice>
-              <element name="overwrite_latest">
-                <data type="boolean"/>
-              </element>
-              <attribute name="overwrite_latest">
-                <data type="boolean"/>
-              </attribute>
-            </choice>
-          </optional>
-        </interleave>
-      </element>
-    </optional>
-    <optional>
-      <element name="surf_source_read">
-        <choice>
-          <element name="path">
-            <data type="string"/>
-          </element>
-          <attribute name="path">
-            <data type="string"/>
-          </attribute>
-        </choice>
-      </element>
-    </optional>
-    <optional>
-      <element name="surf_source_write">
-        <interleave>
-          <choice>
-            <element name="surface_ids">
-              <list>
-                <oneOrMore>
-                  <data type="positiveInteger"/>
-                </oneOrMore>
-              </list>
-            </element>
-            <attribute name="surface_ids">
-              <list>
-                <oneOrMore>
-                  <data type="positiveInteger"/>
-                </oneOrMore>
-              </list>
-            </attribute>
-          </choice>
-          <choice>
-            <element name="max_particles">
-              <data type="positiveInteger"/>
-            </element>
-            <attribute name="max_particles">
-              <data type="positiveInteger"/>
-            </attribute>
-          </choice>
-        </interleave>
-      </element>
-    </optional>
-    <optional>
-      <element name="survival_biasing">
-        <data type="boolean"/>
-      </element>
-    </optional>
-    <optional>
-      <element name="temperature_default">
-        <data type="double"/>
-      </element>
-    </optional>
-    <optional>
-      <element name="temperature_method">
-        <data type="string"/>
-      </element>
-    </optional>
-    <optional>
-      <element name="temperature_multipole">
-        <data type="boolean"/>
-      </element>
-    </optional>
-    <optional>
-      <element name="temperature_range">
-        <list>
-          <data type="double"/>
-          <data type="double"/>
-        </list>
-      </element>
-    </optional>
-    <optional>
-      <element name="temperature_tolerance">
-        <data type="double"/>
-      </element>
-    </optional>
-    <optional>
-      <element name="threads">
-        <data type="positiveInteger"/>
-      </element>
-    </optional>
-    <optional>
-      <element name="trace">
-        <list>
-          <oneOrMore>
-            <data type="positiveInteger"/>
-          </oneOrMore>
-        </list>
-      </element>
-    </optional>
-    <optional>
-      <element name="track">
-        <list>
-          <oneOrMore>
-            <data type="positiveInteger"/>
-          </oneOrMore>
-        </list>
-      </element>
-    </optional>
-    <optional>
-      <element name="trigger">
-        <interleave>
-          <choice>
-            <element name="active">
-              <data type="boolean"/>
-            </element>
-            <attribute name="active">
-              <data type="boolean"/>
-            </attribute>
-          </choice>
-          <choice>
-            <element name="max_batches">
-              <data type="positiveInteger"/>
-            </element>
-            <attribute name="max_batches">
-              <data type="positiveInteger"/>
-            </attribute>
-          </choice>
-          <optional>
-            <choice>
-              <element name="batch_interval">
-                <data type="positiveInteger"/>
-              </element>
-              <attribute name="batch_interval">
-                <data type="positiveInteger"/>
-              </attribute>
-            </choice>
-          </optional>
-        </interleave>
-      </element>
-    </optional>
-    <optional>
-      <element name="ufs_mesh">
-        <data type="positiveInteger"/>
-      </element>
-    </optional>
-    <optional>
-      <element name="verbosity">
-        <data type="positiveInteger"/>
-      </element>
-    </optional>
-    <zeroOrMore>
-      <element name="volume_calc">
-        <interleave>
-          <choice>
-            <element name="domain_type">
-              <data type="string"/>
-            </element>
-            <attribute name="domain_type">
-              <data type="string"/>
-            </attribute>
-          </choice>
-          <choice>
-            <element name="domain_ids">
-              <list>
-                <oneOrMore>
-                  <data type="integer"/>
-                </oneOrMore>
-              </list>
-            </element>
-            <attribute name="domain_ids">
-              <list>
-                <oneOrMore>
-                  <data type="integer"/>
-                </oneOrMore>
-              </list>
-            </attribute>
-          </choice>
-          <choice>
-            <element name="samples">
-              <data type="positiveInteger"/>
-            </element>
-            <attribute name="samples">
-              <data type="positiveInteger"/>
-            </attribute>
-          </choice>
-          <choice>
-            <element name="lower_left">
-              <list>
-                <oneOrMore>
-                  <data type="double"/>
-                </oneOrMore>
-              </list>
-            </element>
-            <attribute name="lower_left">
-              <list>
-                <oneOrMore>
-                  <data type="double"/>
-                </oneOrMore>
-              </list>
-            </attribute>
-          </choice>
-          <choice>
-            <element name="upper_right">
-              <list>
-                <oneOrMore>
-                  <data type="double"/>
-                </oneOrMore>
-              </list>
-            </element>
-            <attribute name="upper_right">
-              <list>
-                <oneOrMore>
-                  <data type="double"/>
-                </oneOrMore>
-              </list>
-            </attribute>
-          </choice>
-        </interleave>
-      </element>
-    </zeroOrMore>
-    <optional>
-      <element name="write_initial_source">
-        <data type="boolean"/>
-      </element>
-    </optional>
-    <optional>
-      <element name="resonance_scattering">
-        <interleave>
-          <optional>
-            <choice>
-              <element name="enable">
-                <data type="boolean"/>
-              </element>
-              <attribute name="enable">
-                <data type="boolean"/>
-              </attribute>
-            </choice>
-          </optional>
-          <optional>
-            <choice>
-              <element name="method">
-                <data type="string"/>
-              </element>
-              <attribute name="method">
-                <data type="string"/>
-              </attribute>
-            </choice>
-          </optional>
-          <optional>
-            <choice>
-              <element name="energy_min">
-                <data type="double"/>
-              </element>
-              <attribute name="energy_min">
-                <data type="double"/>
-              </attribute>
-            </choice>
-          </optional>
-          <optional>
-            <choice>
-              <element name="energy_max">
-                <data type="double"/>
-              </element>
-              <attribute name="energy_max">
-                <data type="double"/>
-              </attribute>
-            </choice>
-          </optional>
-          <optional>
-            <choice>
-              <element name="nuclides">
-                <list>
-                  <oneOrMore>
-                    <data type="string"/>
-                  </oneOrMore>
-                </list>
-              </element>
-              <attribute name="nuclides">
-                <list>
-                  <oneOrMore>
-                    <data type="string"/>
-                  </oneOrMore>
-                </list>
-              </attribute>
-            </choice>
-          </optional>
-        </interleave>
-      </element>
-    </optional>
-  </interleave>
-</element>
diff --git a/src/relaxng/tallies.rnc b/src/relaxng/tallies.rnc
deleted file mode 100644
index 4e46c45a1..000000000
--- a/src/relaxng/tallies.rnc
+++ /dev/null
@@ -1,114 +0,0 @@
-element tallies {
-  element mesh {
-    (element id { xsd:int } | attribute id { xsd:int }) &
-    (
-      (
-        (element type { ( "regular" ) } |
-          attribute type { ( "regular" ) }) &
-        (element dimension { list { xsd:positiveInteger+ } } |
-          attribute dimension { list { xsd:positiveInteger+ } }) &
-        (element lower_left { list { xsd:double+ } } |
-          attribute lower_left { list { xsd:double+ } }) &
-        (
-          (element upper_right { list { xsd:double+ } } |
-            attribute upper_right { list { xsd:double+ } }) |
-          (element width { list { xsd:double+ } } |
-            attribute width { list { xsd:double+ } })
-        )
-      ) | (
-        (element type { ( "rectilinear" ) } |
-          attribute type { ( "rectilinear" ) }) &
-        (element x_grid { list { xsd:double+ } } |
-          attribute x_grid { list { xsd:double+ } }) &
-        (element y_grid { list { xsd:double+ } } |
-          attribute y_grid { list { xsd:double+ } }) &
-        (element z_grid { list { xsd:double+ } } |
-          attribute z_grid { list { xsd:double+ } })
-      ) | (
-        (element type { ( "cylindrical" ) } |
-          attribute type { ( "cylindrical" ) }) &
-        (element r_grid { list { xsd:double+ } } |
-          attribute r_grid { list { xsd:double+ } }) &
-        (element phi_grid { list { xsd:double+ } } |
-          attribute phi_grid { list { xsd:double+ } }) &
-        (element z_grid { list { xsd:double+ } } |
-          attribute z_grid { list { xsd:double+ } })
-      ) | (
-        (element type { ( "spherical" ) } |
-          attribute type { ( "spherical" ) }) &
-        (element r_grid { list { xsd:double+ } } |
-          attribute r_grid { list { xsd:double+ } }) &
-        (element theta_grid { list { xsd:double+ } } |
-          attribute theta_grid { list { xsd:double+ } }) &
-        (element phi_grid { list { xsd:double+ } } |
-          attribute phi_grid { list { xsd:double+ } })
-      )
-    )
-  }* &
-
-  element derivative {
-    (element id { xsd:int } | attribute id { xsd:int }) &
-    (element material { xsd:int } | attribute material { xsd:int }) &
-    ( (element variable { ( "density") }
-        | attribute variable { ( "density" ) } ) |
-      (
-        (element variable { ( "nuclide_density" ) }
-          | attribute variable { ( "nuclide_density" ) } )
-        &
-        (element nuclide { xsd:string { maxLength = "12" } }
-          | attribute nuclide { xsd:string { maxLength = "12" } } )
-      ) |
-      (element variable { ( "temperature") }
-        | attribute variable { ( "temperature" ) } )
-    )
-  }* &
-
-  element filter {
-    (element id { xsd:int } | attribute id { xsd:int }) &
-    (
-      ( (element type { ( "cell" | "cellfrom" | "cellborn" | "material" |
-          "universe" | "surface" | "distribcell" | "mesh" | "energy" |
-          "energyout" | "mu" | "polar" | "azimuthal" | "delayedgroup" |
-          "energyfunction" | "meshsurface" | "cellinstance") } |
-         attribute type { ( "cell" | "cellfrom" | "cellborn" | "material" |
-          "universe" | "surface" | "distribcell" | "mesh" | "energy" |
-          "energyout" | "mu" | "polar" | "azimuthal" | "delayedgroup" |
-          "energyfunction" | "meshsurface" | "cellinstance") }) &
-        (element bins { list { xsd:double+ } } |
-          attribute bins { list { xsd:double+ } })
-      ) |
-      (
-        (element type { ("energyfunction") } |
-         attribute type { ("energyfunction") }) &
-        (element energy { list { xsd:double+ } } |
-          attribute energy { list { xsd:double+ } }) &
-        (element y { list { xsd:double+ } } |
-          attribute y { list { xsd:double+ } })
-      )
-    )
-  }* &
-
-  element tally {
-    (element id { xsd:int } | attribute id { xsd:int }) &
-    (element name { xsd:string { maxLength="52" } } |
-      attribute name { xsd:string { maxLength="52" } })? &
-    (element estimator { ( "analog" | "tracklength" | "collision" ) } |
-      attribute estimator { ( "analog" | "tracklength" | "collision" ) })? &
-    (element filters { list { xsd:int+ } } |
-      attribute filters { list { xsd:int+ } })? &
-    element nuclides {
-      list { xsd:string { maxLength = "12" }+ }
-    }? &
-    element scores {
-      list { xsd:string { maxLength = "20" }+ }
-    } &
-    element trigger {
-      (element type { xsd:string } | attribute type { xsd:string }) &
-      (element threshold { xsd:double} | attribute threshold { xsd:double }) &
-      (element scores { list { xsd:string { maxLength = "20" }+ } } | attribute scores { list { xsd:string { maxLength = "20"}+ } } )?
-    }* &
-    (element derivative { xsd:int } | attribute derivative { xsd:int } )?
-  }* &
-
-  element assume_separate { xsd:boolean }?
-}
diff --git a/src/relaxng/tallies.rng b/src/relaxng/tallies.rng
deleted file mode 100644
index 350c3cb4a..000000000
--- a/src/relaxng/tallies.rng
+++ /dev/null
@@ -1,480 +0,0 @@
-<?xml version="1.0" encoding="UTF-8"?>
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-              <data type="int"/>
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-          </choice>
-          <choice>
-            <interleave>
-              <choice>
-                <element name="type">
-                  <value>regular</value>
-                </element>
-                <attribute name="type">
-                  <value>regular</value>
-                </attribute>
-              </choice>
-              <choice>
-                <element name="dimension">
-                  <list>
-                    <oneOrMore>
-                      <data type="positiveInteger"/>
-                    </oneOrMore>
-                  </list>
-                </element>
-                <attribute name="dimension">
-                  <list>
-                    <oneOrMore>
-                      <data type="positiveInteger"/>
-                    </oneOrMore>
-                  </list>
-                </attribute>
-              </choice>
-              <choice>
-                <element name="lower_left">
-                  <list>
-                    <oneOrMore>
-                      <data type="double"/>
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-                  </list>
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-                <attribute name="lower_left">
-                  <list>
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-                      <data type="double"/>
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-                  </list>
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-                  <element name="upper_right">
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-                      </oneOrMore>
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-                  <attribute name="upper_right">
-                    <list>
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-                <attribute name="z_grid">
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-                      <data type="double"/>
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-                  </list>
-                </attribute>
-              </choice>
-            </interleave>
-          </choice>
-        </interleave>
-      </element>
-    </zeroOrMore>
-    <zeroOrMore>
-      <element name="derivative">
-        <interleave>
-          <choice>
-            <element name="id">
-              <data type="int"/>
-            </element>
-            <attribute name="id">
-              <data type="int"/>
-            </attribute>
-          </choice>
-          <choice>
-            <element name="material">
-              <data type="int"/>
-            </element>
-            <attribute name="material">
-              <data type="int"/>
-            </attribute>
-          </choice>
-          <choice>
-            <choice>
-              <element name="variable">
-                <value>density</value>
-              </element>
-              <attribute name="variable">
-                <value>density</value>
-              </attribute>
-            </choice>
-            <interleave>
-              <choice>
-                <element name="variable">
-                  <value>nuclide_density</value>
-                </element>
-                <attribute name="variable">
-                  <value>nuclide_density</value>
-                </attribute>
-              </choice>
-              <choice>
-                <element name="nuclide">
-                  <data type="string">
-                    <param name="maxLength">12</param>
-                  </data>
-                </element>
-                <attribute name="nuclide">
-                  <data type="string">
-                    <param name="maxLength">12</param>
-                  </data>
-                </attribute>
-              </choice>
-            </interleave>
-            <choice>
-              <element name="variable">
-                <value>temperature</value>
-              </element>
-              <attribute name="variable">
-                <value>temperature</value>
-              </attribute>
-            </choice>
-          </choice>
-        </interleave>
-      </element>
-    </zeroOrMore>
-    <zeroOrMore>
-      <element name="filter">
-        <interleave>
-          <choice>
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-              <data type="int"/>
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-            <attribute name="id">
-              <data type="int"/>
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-          </choice>
-          <choice>
-            <interleave>
-              <choice>
-                <element name="type">
-                  <choice>
-                    <value>cell</value>
-                    <value>cellfrom</value>
-                    <value>cellborn</value>
-                    <value>material</value>
-                    <value>universe</value>
-                    <value>surface</value>
-                    <value>distribcell</value>
-                    <value>mesh</value>
-                    <value>energy</value>
-                    <value>energyout</value>
-                    <value>mu</value>
-                    <value>polar</value>
-                    <value>azimuthal</value>
-                    <value>delayedgroup</value>
-                    <value>energyfunction</value>
-                    <value>meshsurface</value>
-                    <value>cellinstance</value>
-                  </choice>
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-                <attribute name="type">
-                  <choice>
-                    <value>cell</value>
-                    <value>cellfrom</value>
-                    <value>cellborn</value>
-                    <value>material</value>
-                    <value>universe</value>
-                    <value>surface</value>
-                    <value>distribcell</value>
-                    <value>mesh</value>
-                    <value>energy</value>
-                    <value>energyout</value>
-                    <value>mu</value>
-                    <value>polar</value>
-                    <value>azimuthal</value>
-                    <value>delayedgroup</value>
-                    <value>energyfunction</value>
-                    <value>meshsurface</value>
-                    <value>cellinstance</value>
-                  </choice>
-                </attribute>
-              </choice>
-              <choice>
-                <element name="bins">
-                  <list>
-                    <oneOrMore>
-                      <data type="double"/>
-                    </oneOrMore>
-                  </list>
-                </element>
-                <attribute name="bins">
-                  <list>
-                    <oneOrMore>
-                      <data type="double"/>
-                    </oneOrMore>
-                  </list>
-                </attribute>
-              </choice>
-            </interleave>
-            <interleave>
-              <choice>
-                <element name="type">
-                  <value>energyfunction</value>
-                </element>
-                <attribute name="type">
-                  <value>energyfunction</value>
-                </attribute>
-              </choice>
-              <choice>
-                <element name="energy">
-                  <list>
-                    <oneOrMore>
-                      <data type="double"/>
-                    </oneOrMore>
-                  </list>
-                </element>
-                <attribute name="energy">
-                  <list>
-                    <oneOrMore>
-                      <data type="double"/>
-                    </oneOrMore>
-                  </list>
-                </attribute>
-              </choice>
-              <choice>
-                <element name="y">
-                  <list>
-                    <oneOrMore>
-                      <data type="double"/>
-                    </oneOrMore>
-                  </list>
-                </element>
-                <attribute name="y">
-                  <list>
-                    <oneOrMore>
-                      <data type="double"/>
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-                  </list>
-                </attribute>
-              </choice>
-            </interleave>
-          </choice>
-        </interleave>
-      </element>
-    </zeroOrMore>
-    <zeroOrMore>
-      <element name="tally">
-        <interleave>
-          <choice>
-            <element name="id">
-              <data type="int"/>
-            </element>
-            <attribute name="id">
-              <data type="int"/>
-            </attribute>
-          </choice>
-          <optional>
-            <choice>
-              <element name="name">
-                <data type="string">
-                  <param name="maxLength">52</param>
-                </data>
-              </element>
-              <attribute name="name">
-                <data type="string">
-                  <param name="maxLength">52</param>
-                </data>
-              </attribute>
-            </choice>
-          </optional>
-          <optional>
-            <choice>
-              <element name="estimator">
-                <choice>
-                  <value>analog</value>
-                  <value>tracklength</value>
-                  <value>collision</value>
-                </choice>
-              </element>
-              <attribute name="estimator">
-                <choice>
-                  <value>analog</value>
-                  <value>tracklength</value>
-                  <value>collision</value>
-                </choice>
-              </attribute>
-            </choice>
-          </optional>
-          <optional>
-            <choice>
-              <element name="filters">
-                <list>
-                  <oneOrMore>
-                    <data type="int"/>
-                  </oneOrMore>
-                </list>
-              </element>
-              <attribute name="filters">
-                <list>
-                  <oneOrMore>
-                    <data type="int"/>
-                  </oneOrMore>
-                </list>
-              </attribute>
-            </choice>
-          </optional>
-          <optional>
-            <element name="nuclides">
-              <list>
-                <oneOrMore>
-                  <data type="string">
-                    <param name="maxLength">12</param>
-                  </data>
-                </oneOrMore>
-              </list>
-            </element>
-          </optional>
-          <element name="scores">
-            <list>
-              <oneOrMore>
-                <data type="string">
-                  <param name="maxLength">20</param>
-                </data>
-              </oneOrMore>
-            </list>
-          </element>
-          <zeroOrMore>
-            <element name="trigger">
-              <interleave>
-                <choice>
-                  <element name="type">
-                    <data type="string"/>
-                  </element>
-                  <attribute name="type">
-                    <data type="string"/>
-                  </attribute>
-                </choice>
-                <choice>
-                  <element name="threshold">
-                    <data type="double"/>
-                  </element>
-                  <attribute name="threshold">
-                    <data type="double"/>
-                  </attribute>
-                </choice>
-                <optional>
-                  <choice>
-                    <element name="scores">
-                      <list>
-                        <oneOrMore>
-                          <data type="string">
-                            <param name="maxLength">20</param>
-                          </data>
-                        </oneOrMore>
-                      </list>
-                    </element>
-                    <attribute name="scores">
-                      <list>
-                        <oneOrMore>
-                          <data type="string">
-                            <param name="maxLength">20</param>
-                          </data>
-                        </oneOrMore>
-                      </list>
-                    </attribute>
-                  </choice>
-                </optional>
-              </interleave>
-            </element>
-          </zeroOrMore>
-          <optional>
-            <choice>
-              <element name="derivative">
-                <data type="int"/>
-              </element>
-              <attribute name="derivative">
-                <data type="int"/>
-              </attribute>
-            </choice>
-          </optional>
-        </interleave>
-      </element>
-    </zeroOrMore>
-    <optional>
-      <element name="assume_separate">
-        <data type="boolean"/>
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-    </optional>
-  </interleave>
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From 50067898ff1180d87e57d47c590e472d3e9ca947 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 8 Sep 2022 13:42:22 -0500
Subject: [PATCH 0959/2654] Replace Muir classes with single muir() Python
 function

---
 docs/source/pythonapi/stats.rst |   2 +-
 include/openmc/distribution.h   |  36 +--------
 include/openmc/random_dist.h    |  17 ----
 openmc/stats/univariate.py      | 134 ++++++++------------------------
 src/distribution.cpp            |  29 +------
 src/random_dist.cpp             |   7 --
 tests/unit_tests/test_stats.py  |  12 ++-
 7 files changed, 45 insertions(+), 192 deletions(-)

diff --git a/docs/source/pythonapi/stats.rst b/docs/source/pythonapi/stats.rst
index b4f115854..10be9454f 100644
--- a/docs/source/pythonapi/stats.rst
+++ b/docs/source/pythonapi/stats.rst
@@ -22,7 +22,7 @@ Univariate Probability Distributions
    openmc.stats.Legendre
    openmc.stats.Mixture
    openmc.stats.Normal
-   openmc.stats.Muir
+   openmc.stats.muir
 
 Angular Distributions
 ---------------------
diff --git a/include/openmc/distribution.h b/include/openmc/distribution.h
index 8403f2c67..d3fe958ca 100644
--- a/include/openmc/distribution.h
+++ b/include/openmc/distribution.h
@@ -31,7 +31,6 @@ using UPtrDist = unique_ptr<Distribution>;
 //! \return Unique pointer to distribution
 UPtrDist distribution_from_xml(pugi::xml_node node);
 
-
 //==============================================================================
 //! A discrete distribution (probability mass function)
 //==============================================================================
@@ -99,11 +98,12 @@ public:
   double a() const { return std::pow(offset_, ninv_); }
   double b() const { return std::pow(offset_ + span_, ninv_); }
   double n() const { return 1 / ninv_ - 1; }
+
 private:
   //! Store processed values in object to allow for faster sampling
   double offset_; //!< a^(n+1)
-  double span_; //!< b^(n+1) - a^(n+1)
-  double ninv_; //!< 1/(n+1)
+  double span_;   //!< b^(n+1) - a^(n+1)
+  double ninv_;   //!< 1/(n+1)
 };
 
 //==============================================================================
@@ -172,35 +172,6 @@ private:
   double std_dev_;    //!< standard deviation [eV]
 };
 
-//==============================================================================
-//! Muir (fusion) spectrum derived from Normal with extra params e0 is mean
-//! std dev is sqrt(4*e0*kt/m)
-//==============================================================================
-
-class Muir : public Distribution {
-public:
-  explicit Muir(pugi::xml_node node);
-  Muir(double e0, double m_rat, double kt)
-    : e0_ {e0}, m_rat_ {m_rat}, kt_ {kt} {};
-
-  //! Sample a value from the distribution
-  //! \param seed Pseudorandom number seed pointer
-  //! \return Sampled value
-  double sample(uint64_t* seed) const;
-
-  double e0() const { return e0_; }
-  double m_rat() const { return m_rat_; }
-  double kt() const { return kt_; }
-
-private:
-  // example DT fusion m_rat = 5 (D = 2 + T = 3)
-  // ion temp = 20000 eV
-  // mean neutron energy 14.08e6 eV
-  double e0_;    //!< mean neutron energy [eV]
-  double m_rat_; //!< ratio of reactant masses relative to atomic mass unit
-  double kt_;    //!< ion temperature [eV]
-};
-
 //==============================================================================
 //! Histogram or linear-linear interpolated tabular distribution
 //==============================================================================
@@ -277,7 +248,6 @@ private:
     distribution_; //!< sub-distributions + cummulative probabilities
 };
 
-
 } // namespace openmc
 
 #endif // OPENMC_DISTRIBUTION_H
diff --git a/include/openmc/random_dist.h b/include/openmc/random_dist.h
index 9bf55aa93..4c9ab3c67 100644
--- a/include/openmc/random_dist.h
+++ b/include/openmc/random_dist.h
@@ -64,23 +64,6 @@ extern "C" double watt_spectrum(double a, double b, uint64_t* seed);
 
 extern "C" double normal_variate(double mean, double std_dev, uint64_t* seed);
 
-//==============================================================================
-//! Samples an energy from the Muir (Gaussian) energy-dependent distribution.
-//!
-//! This is another form of the Gaussian distribution but with more easily
-//! modifiable parameters
-//! https://permalink.lanl.gov/object/tr?what=info:lanl-repo/lareport/LA-05411-MS
-//!
-//! \param e0 peak neutron energy [eV]
-//! \param m_rat ratio of the fusion reactants to AMU
-//! \param kt the ion temperature of the reactants [eV]
-//! \param seed A pointer to the pseudorandom seed
-//! \result The sampled outgoing energy
-//==============================================================================
-
-extern "C" double muir_spectrum(
-  double e0, double m_rat, double kt, uint64_t* seed);
-
 } // namespace openmc
 
 #endif // OPENMC_RANDOM_DIST_H
diff --git a/openmc/stats/univariate.py b/openmc/stats/univariate.py
index 5298499ce..28f60de6d 100644
--- a/openmc/stats/univariate.py
+++ b/openmc/stats/univariate.py
@@ -2,7 +2,9 @@ from abc import ABC, abstractmethod
 from collections import defaultdict
 from collections.abc import Iterable
 from copy import deepcopy
+import math
 from numbers import Real
+from warnings import warn
 from xml.etree import ElementTree as ET
 
 import numpy as np
@@ -53,7 +55,9 @@ class Univariate(EqualityMixin, ABC):
         elif distribution == 'normal':
             return Normal.from_xml_element(elem)
         elif distribution == 'muir':
-            return Muir.from_xml_element(elem)
+            # Support older files where Muir had its own class
+            params = [float(x) for x in get_text(elem, 'parameters').split()]
+            return muir(*params)
         elif distribution == 'tabular':
             return Tabular.from_xml_element(elem)
         elif distribution == 'legendre':
@@ -717,119 +721,45 @@ class Normal(Univariate):
         return cls(*map(float, params))
 
 
-class Muir(Univariate):
-    """Muir energy spectrum.
+def muir(e0, m_rat, kt):
+    """Generate a Muir energy spectrum
 
-    The Muir energy spectrum is a Gaussian spectrum, but for
-    convenience reasons allows the user 3 parameters to define
-    the distribution, e0 the mean energy of particles, the mass
-    of reactants m_rat, and the ion temperature kt.
+    The Muir energy spectrum is a normal distribution, but for convenience
+    reasons allows the user to specify three parameters to define the
+    distribution: the mean energy of particles ``e0``, the mass of reactants
+    ``m_rat``, and the ion temperature ``kt``.
+
+    .. versionadded:: 0.14.0
 
     Parameters
     ----------
     e0 : float
-        Mean of the Muir distribution in units of eV
+        Mean of the Muir distribution in [eV]
     m_rat : float
-        Ratio of the sum of the masses of the reaction inputs to an
-        AMU
+        Ratio of the sum of the masses of the reaction inputs to 1 amu
     kt : float
-         Ion temperature for the Muir distribution in units of eV
+         Ion temperature for the Muir distribution in [eV]
 
-    Attributes
-    ----------
-    e0 : float
-        Mean of the Muir distribution in units of eV
-    m_rat : float
-        Ratio of the sum of the masses of the reaction inputs to an
-        AMU
-    kt : float
-         Ion temperature for the Muir distribution in units of eV
+    Returns
+    -------
+    openmc.stats.Normal
+        Corresponding normal distribution
 
     """
+    # https://permalink.lanl.gov/object/tr?what=info:lanl-repo/lareport/LA-05411-MS
+    std_dev = math.sqrt(4 * e0 * kt / m_rat)
+    return Normal(e0, std_dev)
 
-    def __init__(self, e0=14.08e6, m_rat = 5., kt = 20000.):
-        self.e0 = e0
-        self.m_rat = m_rat
-        self.kt = kt
 
-    def __len__(self):
-        return 3
-
-    @property
-    def e0(self):
-        return self._e0
-
-    @property
-    def m_rat(self):
-        return self._m_rat
-
-    @property
-    def kt(self):
-        return self._kt
-
-    @e0.setter
-    def e0(self, e0):
-        cv.check_type('Muir e0', e0, Real)
-        cv.check_greater_than('Muir e0', e0, 0.0)
-        self._e0 = e0
-
-    @m_rat.setter
-    def m_rat(self, m_rat):
-        cv.check_type('Muir m_rat', m_rat, Real)
-        cv.check_greater_than('Muir m_rat', m_rat, 0.0)
-        self._m_rat = m_rat
-
-    @kt.setter
-    def kt(self, kt):
-        cv.check_type('Muir kt', kt, Real)
-        cv.check_greater_than('Muir kt', kt, 0.0)
-        self._kt = kt
-
-    @property
-    def std_dev(self):
-        return np.sqrt(4.*self.e0*self.kt/self.m_rat)
-
-    def sample(self, n_samples=1, seed=None):
-        # Based on LANL report LA-05411-MS
-        np.random.seed(seed)
-        return np.random.normal(self.e0, self.std_dev, n_samples)
-
-    def to_xml_element(self, element_name):
-        """Return XML representation of the Watt distribution
-
-        Parameters
-        ----------
-        element_name : str
-            XML element name
-
-        Returns
-        -------
-        element : xml.etree.ElementTree.Element
-            XML element containing Watt distribution data
-
-        """
-        element = ET.Element(element_name)
-        element.set("type", "muir")
-        element.set("parameters", '{} {} {}'.format(self._e0, self._m_rat, self._kt))
-        return element
-
-    @classmethod
-    def from_xml_element(cls, elem):
-        """Generate Muir distribution from an XML element
-
-        Parameters
-        ----------
-        elem : xml.etree.ElementTree.Element
-            XML element
-
-        Returns
-        -------
-        openmc.stats.Muir
-            Muir distribution generated from XML element
-
-        """
-        params = get_text(elem, 'parameters').split()
-        return cls(*map(float, params))
+# Retain deprecated name for the time being
+def Muir(*args, **kwargs):
+    # warn of name change
+    warn(
+        "The Muir(...) class has been replaced by the muir(...) function and "
+        "will be removed in a future version of OpenMC. Use muir(...) instead.",
+        FutureWarning
+    )
+    return muir(*args, **kwargs)
 
 
 class Tabular(Univariate):
diff --git a/src/distribution.cpp b/src/distribution.cpp
index 901852e0f..c3e1cc1b3 100644
--- a/src/distribution.cpp
+++ b/src/distribution.cpp
@@ -165,27 +165,6 @@ double Normal::sample(uint64_t* seed) const
   return normal_variate(mean_value_, std_dev_, seed);
 }
 
-//==============================================================================
-// Muir implementation
-//==============================================================================
-Muir::Muir(pugi::xml_node node)
-{
-  auto params = get_node_array<double>(node, "parameters");
-  if (params.size() != 3) {
-    openmc::fatal_error("Muir energy distribution must have three "
-                        "parameters specified.");
-  }
-
-  e0_ = params.at(0);
-  m_rat_ = params.at(1);
-  kt_ = params.at(2);
-}
-
-double Muir::sample(uint64_t* seed) const
-{
-  return muir_spectrum(e0_, m_rat_, kt_, seed);
-}
-
 //==============================================================================
 // Tabular implementation
 //==============================================================================
@@ -324,8 +303,10 @@ Mixture::Mixture(pugi::xml_node node)
   double cumsum = 0.0;
   for (pugi::xml_node pair : node.children("pair")) {
     // Check that required data exists
-    if (!pair.attribute("probability")) fatal_error("Mixture pair element does not have probability.");
-    if (!pair.child("dist")) fatal_error("Mixture pair element does not have a distribution.");
+    if (!pair.attribute("probability"))
+      fatal_error("Mixture pair element does not have probability.");
+    if (!pair.child("dist"))
+      fatal_error("Mixture pair element does not have a distribution.");
 
     // cummulative sum of probybilities
     cumsum += std::stod(pair.attribute("probability").value());
@@ -381,8 +362,6 @@ UPtrDist distribution_from_xml(pugi::xml_node node)
     dist = UPtrDist {new Watt(node)};
   } else if (type == "normal") {
     dist = UPtrDist {new Normal(node)};
-  } else if (type == "muir") {
-    dist = UPtrDist {new Muir(node)};
   } else if (type == "discrete") {
     dist = UPtrDist {new Discrete(node)};
   } else if (type == "tabular") {
diff --git a/src/random_dist.cpp b/src/random_dist.cpp
index c8d2380c3..1aa35a689 100644
--- a/src/random_dist.cpp
+++ b/src/random_dist.cpp
@@ -46,11 +46,4 @@ double normal_variate(double mean, double standard_deviation, uint64_t* seed)
   return mean + standard_deviation * z * x;
 }
 
-double muir_spectrum(double e0, double m_rat, double kt, uint64_t* seed)
-{
-  // https://permalink.lanl.gov/object/tr?what=info:lanl-repo/lareport/LA-05411-MS
-  double sigma = std::sqrt(4. * e0 * kt / m_rat);
-  return normal_variate(e0, sigma, seed);
-}
-
 } // namespace openmc
diff --git a/tests/unit_tests/test_stats.py b/tests/unit_tests/test_stats.py
index dbf06d0b5..e752c004f 100644
--- a/tests/unit_tests/test_stats.py
+++ b/tests/unit_tests/test_stats.py
@@ -376,16 +376,14 @@ def test_muir():
     mean = 10.0
     mass = 5.0
     temp = 20000.
-    d = openmc.stats.Muir(mean,mass,temp)
+    d = openmc.stats.muir(mean, mass, temp)
+    assert isinstance(d, openmc.stats.Normal)
 
     elem = d.to_xml_element('energy')
-    assert elem.attrib['type'] == 'muir'
+    assert elem.attrib['type'] == 'normal'
 
-    d = openmc.stats.Muir.from_xml_element(elem)
-    assert d.e0 == pytest.approx(mean)
-    assert d.m_rat == pytest.approx(mass)
-    assert d.kt == pytest.approx(temp)
-    assert len(d) == 3
+    d = openmc.stats.Univariate.from_xml_element(elem)
+    assert isinstance(d, openmc.stats.Normal)
 
     # sample muir distribution
     n_samples = 10000

From ca12e3656ee94147bbc8409a452acc6a204c5f97 Mon Sep 17 00:00:00 2001
From: Olek <45364492+yardasol@users.noreply.github.com>
Date: Thu, 8 Sep 2022 14:02:47 -0500
Subject: [PATCH 0960/2654] Typo and syntax fixes

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 docs/source/usersguide/depletion.rst | 6 +++---
 1 file changed, 3 insertions(+), 3 deletions(-)

diff --git a/docs/source/usersguide/depletion.rst b/docs/source/usersguide/depletion.rst
index 245070237..c1f9bf94a 100644
--- a/docs/source/usersguide/depletion.rst
+++ b/docs/source/usersguide/depletion.rst
@@ -259,12 +259,12 @@ transport-depletion calculation and follow the same steps from there.
    will not be simulated.
 
 Loading and Generating Microscopic Cross Sections
--------------------------------------
+-------------------------------------------------
 
 As mentioned earlier, any transport code could be used to calculate one-group
 microscopic cross sections. The :mod:`openmc.deplete` module provides the 
 :class:`~openmc.deplete.MicroXS` class, which contains methods to read in
-pre-caluclated cross sections from a ``.csv`` file or from data arrays::
+pre-calculated cross sections from a ``.csv`` file or from data arrays::
 
     micro_xs = MicroXS.from_csv(micro_xs_path)
 
@@ -352,7 +352,7 @@ normalizing reaction rates:
 Multiple Materials
 ~~~~~~~~~~~~~~~~~~
 
-A transport-independent depletion simulation using ``source-race`` normalization
+A transport-independent depletion simulation using ``source-rate`` normalization
 will calculate reaction rates for each material independently. This can be
 useful for running many different cases of a particular scenario. A depletion
 simulation using ``fission-q`` normalization will sum the energy values from

From 09de637b3a3795a5188b7ebec4d8095ec5ceba2d Mon Sep 17 00:00:00 2001
From: Josh May <85899979+joshmay1@users.noreply.github.com>
Date: Thu, 8 Sep 2022 14:42:28 -0700
Subject: [PATCH 0961/2654] Change copy to match convention

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/deplete/nuclide.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/deplete/nuclide.py b/openmc/deplete/nuclide.py
index 962e3e6d6..04e0c26c5 100644
--- a/openmc/deplete/nuclide.py
+++ b/openmc/deplete/nuclide.py
@@ -682,7 +682,7 @@ class FissionYield(Mapping):
             self.__class__.__name__, len(self))
 
     def __deepcopy__(self, memo):
-        result = FissionYield(self.products, np.copy(self.yields))
+        result = FissionYield(self.products, self.yields.copy())
         memo[id(self)] = result
         return result
 

From 3c3ce6e2e7bafd0dc8e6b28cc3dd10a852d150c8 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 8 Sep 2022 22:28:54 -0500
Subject: [PATCH 0962/2654] A couple of corrections to the lagrangian
 interpolation function

---
 include/openmc/interpolate.h | 8 ++++----
 1 file changed, 4 insertions(+), 4 deletions(-)

diff --git a/include/openmc/interpolate.h b/include/openmc/interpolate.h
index d02d87ff2..3f5d2d361 100644
--- a/include/openmc/interpolate.h
+++ b/include/openmc/interpolate.h
@@ -42,7 +42,7 @@ inline double interpolate_lagrangian(
   for (int i = 0; i < order + 1; i++) {
     double numerator {1.0};
     double denominator {1.0};
-    for (int j = 0; j < order; j++) {
+    for (int j = 0; j < order + 1; j++) {
       if (i == j)
         continue;
       numerator *= (x - xs[idx + j]);
@@ -55,7 +55,7 @@ inline double interpolate_lagrangian(
     coeffs.begin(), coeffs.end(), ys.begin() + idx, 0.0);
 }
 
-inline double interpolate(const std::vector<double>& xs,
+double interpolate(const std::vector<double>& xs,
   const std::vector<double>& ys, double x,
   Interpolation i = Interpolation::lin_lin)
 {
@@ -76,13 +76,13 @@ inline double interpolate(const std::vector<double>& xs,
   case Interpolation::quadratic:
     // move back one point if x is in the last interval of the x-grid
     if (idx == xs.size() - 2 && idx > 0) idx--;
-    return interpolate_lagrangian(xs, ys, x, idx, 2);
+    return interpolate_lagrangian(xs, ys, idx, x, 2);
   case Interpolation::cubic:
     // if x is not in the first interval of the x-grid, move back one
     if (idx > 0) idx--;
     // if the index was the last interval of the x-grid, move it back one more
     if (idx == xs.size() - 3) idx--;
-    return interpolate_lagrangian(xs, ys, x, idx, 3);
+    return interpolate_lagrangian(xs, ys, idx, x, 3);
   default:
     fatal_error("Unsupported interpolation");
   }

From 84276c54bfc1b076591f274f64cd9890acac36d7 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 8 Sep 2022 22:29:25 -0500
Subject: [PATCH 0963/2654] Adding additional interpolation types to the
 constructor

---
 src/tallies/filter_energyfunc.cpp | 4 ++++
 1 file changed, 4 insertions(+)

diff --git a/src/tallies/filter_energyfunc.cpp b/src/tallies/filter_energyfunc.cpp
index a09854e84..0abebf885 100644
--- a/src/tallies/filter_energyfunc.cpp
+++ b/src/tallies/filter_energyfunc.cpp
@@ -38,6 +38,10 @@ void EnergyFunctionFilter::from_xml(pugi::xml_node node)
       interpolation_ = Interpolation::log_lin;
     } else if (interpolation == "log-log") {
       interpolation_ = Interpolation::log_log;
+    } else if (interpolation == "quadratic") {
+      interpolation_ = Interpolation::quadratic;
+    } else if (interpolation == "cubic") {
+      interpolation_ = Interpolation::cubic;
     } else {
       fatal_error(fmt::format(
         "Found invalid interpolation type '{}' on EnergyFunctionFilter {}.",

From ac043cb67a3da93d16761d44d23451f15588b7ba Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 8 Sep 2022 22:37:03 -0500
Subject: [PATCH 0964/2654] Adding checks for minimum number of data points for
 quadratic/cubic interpolation

---
 src/tallies/filter_energyfunc.cpp | 4 ++++
 1 file changed, 4 insertions(+)

diff --git a/src/tallies/filter_energyfunc.cpp b/src/tallies/filter_energyfunc.cpp
index 0abebf885..170c05262 100644
--- a/src/tallies/filter_energyfunc.cpp
+++ b/src/tallies/filter_energyfunc.cpp
@@ -39,8 +39,12 @@ void EnergyFunctionFilter::from_xml(pugi::xml_node node)
     } else if (interpolation == "log-log") {
       interpolation_ = Interpolation::log_log;
     } else if (interpolation == "quadratic") {
+      if (energy.size() < 3)
+      fatal_error(fmt::format("Quadratic interpolation on EnergyFunctionFilter {} requires at least 3 data points.", id()));
       interpolation_ = Interpolation::quadratic;
     } else if (interpolation == "cubic") {
+      if (energy.size() < 4)
+      fatal_error(fmt::format("Cubic interpolation on EnergyFunctionFilter {} requires at least 4 data points.", id()));
       interpolation_ = Interpolation::cubic;
     } else {
       fatal_error(fmt::format(

From 3b00ed3864d2fabff601f31d67994f4828c0af28 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 8 Sep 2022 22:37:57 -0500
Subject: [PATCH 0965/2654] Adding checks for data size based on interpolation
 type

---
 openmc/filter.py | 7 +++++++
 1 file changed, 7 insertions(+)

diff --git a/openmc/filter.py b/openmc/filter.py
index c1ce573c9..7a85e2d45 100644
--- a/openmc/filter.py
+++ b/openmc/filter.py
@@ -2058,6 +2058,13 @@ class EnergyFunctionFilter(Filter):
     def interpolation(self, val):
         cv.check_type('interpolation', val, str)
         cv.check_value('interpolation', val, self.INTERPOLATION_SCHEMES.values())
+
+        if val == 'quadratic' and len(self.energy) < 3:
+            raise ValueError('Quadratic interpolation requires 3 or more values.')
+
+        if val == 'cubic' and len(self.energy) < 4:
+            raise ValueError('Cubic interpolation requires 3 or more values.')
+
         self._interpolation = val
 
     def to_xml_element(self):

From b68e6e96e614546d2cad91e8b023f994bdbd5d74 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 8 Sep 2022 22:38:22 -0500
Subject: [PATCH 0966/2654] Updating tests to include checks for
 quadratic/cubic interpolation

---
 .../filter_energyfun/inputs_true.dat          | 30 +++++++++++++++++++
 .../filter_energyfun/results_true.dat         |  2 ++
 .../regression_tests/filter_energyfun/test.py | 29 +++++++++++++++---
 3 files changed, 57 insertions(+), 4 deletions(-)

diff --git a/tests/regression_tests/filter_energyfun/inputs_true.dat b/tests/regression_tests/filter_energyfun/inputs_true.dat
index 8c3db3518..133b3167f 100644
--- a/tests/regression_tests/filter_energyfun/inputs_true.dat
+++ b/tests/regression_tests/filter_energyfun/inputs_true.dat
@@ -39,6 +39,21 @@
     <y>0.1 0.1 0.1333 0.158 0.18467 0.25618 0.4297 0.48 0.48</y>
     <interpolation>log-linear</interpolation>
   </filter>
+  <filter id="6" type="energyfunction">
+    <energy>0.0 5000000.0 10000000.0 15000000.0</energy>
+    <y>0.2 0.7 0.7 0.2</y>
+    <interpolation>linear-linear</interpolation>
+  </filter>
+  <filter id="7" type="energyfunction">
+    <energy>0.0 5000000.0 10000000.0 15000000.0</energy>
+    <y>0.2 0.7 0.7 0.2</y>
+    <interpolation>quadratic</interpolation>
+  </filter>
+  <filter id="8" type="energyfunction">
+    <energy>0.0 5000000.0 10000000.0 15000000.0</energy>
+    <y>0.2 0.7 0.7 0.2</y>
+    <interpolation>cubic</interpolation>
+  </filter>
   <tally id="1">
     <nuclides>Am241</nuclides>
     <scores>(n,gamma)</scores>
@@ -63,4 +78,19 @@
     <nuclides>Am241</nuclides>
     <scores>(n,gamma)</scores>
   </tally>
+  <tally id="6">
+    <filters>6</filters>
+    <nuclides>Am241</nuclides>
+    <scores>(n,gamma)</scores>
+  </tally>
+  <tally id="7">
+    <filters>7</filters>
+    <nuclides>Am241</nuclides>
+    <scores>(n,gamma)</scores>
+  </tally>
+  <tally id="8">
+    <filters>8</filters>
+    <nuclides>Am241</nuclides>
+    <scores>(n,gamma)</scores>
+  </tally>
 </tallies>
diff --git a/tests/regression_tests/filter_energyfun/results_true.dat b/tests/regression_tests/filter_energyfun/results_true.dat
index c0b59680e..0aadac82e 100644
--- a/tests/regression_tests/filter_energyfun/results_true.dat
+++ b/tests/regression_tests/filter_energyfun/results_true.dat
@@ -6,3 +6,5 @@
 0  b4e2ac84068d2d   Am241  (n,gamma) 8.19e-02   2.25e-03
    energyfunction nuclide      score     mean  std. dev.
 0  dacf88242512ea   Am241  (n,gamma) 7.95e-02   2.19e-03
+   energyfunction nuclide      score     mean  std. dev.
+0  fe168c70d9e078   Am241  (n,gamma) 1.06e-01   2.96e-03
diff --git a/tests/regression_tests/filter_energyfun/test.py b/tests/regression_tests/filter_energyfun/test.py
index 9c2be7be3..12144c1fd 100644
--- a/tests/regression_tests/filter_energyfun/test.py
+++ b/tests/regression_tests/filter_energyfun/test.py
@@ -48,9 +48,21 @@ def model():
     filt5 = openmc.EnergyFunctionFilter(x, y)
     filt5.interpolation = 'log-linear'
 
-    filters = [filt1, filt3, filt4, filt5]
+    # define a trapezoidal function for comparison
+    x = [0.0, 5e6, 1e7, 1.5e7]
+    y = [0.2, 0.7, 0.7, 0.2]
+
+    filt6 = openmc.EnergyFunctionFilter(x, y)
+
+    filt7 = openmc.EnergyFunctionFilter(x, y)
+    filt7.interpolation = 'quadratic'
+
+    filt8 = openmc.EnergyFunctionFilter(x, y)
+    filt8.interpolation = 'cubic'
+
+    filters = [filt1, filt3, filt4, filt5, filt6, filt7, filt8]
     # Make tallies
-    tallies = [openmc.Tally() for i in range(5)]
+    tallies = [openmc.Tally() for _ in range(len(filters) + 1)]
     for t in tallies:
         t.scores = ['(n,gamma)']
         t.nuclides = ['Am241']
@@ -73,7 +85,7 @@ class FilterEnergyFunHarness(PyAPITestHarness):
         br_tally = sp.tallies[2] / sp.tallies[1]
         dataframes_string += br_tally.get_pandas_dataframe().to_string() + '\n'
 
-        for t_id in (3, 4, 5):
+        for t_id in (3, 4, 5, 6):
             ef_tally = sp.tallies[t_id]
             dataframes_string += ef_tally.get_pandas_dataframe().to_string() + '\n'
 
@@ -122,7 +134,16 @@ class FilterEnergyFunHarness(PyAPITestHarness):
         sp_log_lin_filt = sp_log_lin_tally.find_filter(openmc.EnergyFunctionFilter)
         assert sp_log_lin_filt.interpolation == 'log-linear'
 
+        # check that the cubic interpolation provides a higher value
+        # than linear-linear
+        contrived_lin_lin_tally = sp.get_tally(id=6)
+        contrived_quadratic_tally = sp.get_tally(id=7)
+        contrived_cubic_tally = sp.get_tally(id=8)
+
+        assert all(contrived_lin_lin_tally.mean < contrived_quadratic_tally.mean)
+        assert all(contrived_lin_lin_tally.mean < contrived_cubic_tally.mean)
+
 
 def test_filter_energyfun(model):
     harness = FilterEnergyFunHarness('statepoint.5.h5', model)
-    harness.main()
+    harness.main()
\ No newline at end of file

From 2fa63f33020da122e52460f64f4f4963ebc89209 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 8 Sep 2022 22:41:54 -0500
Subject: [PATCH 0967/2654] Applying clang format

---
 include/openmc/interpolate.h      | 19 ++++++++++---------
 src/tallies/filter_energyfunc.cpp |  9 +++++++--
 2 files changed, 17 insertions(+), 11 deletions(-)

diff --git a/include/openmc/interpolate.h b/include/openmc/interpolate.h
index 3f5d2d361..8ccdc5bd7 100644
--- a/include/openmc/interpolate.h
+++ b/include/openmc/interpolate.h
@@ -34,8 +34,8 @@ inline double interpolate_log_log(
   return y0 * exp(f * log(y1 / y0));
 }
 
-inline double interpolate_lagrangian(
-  const std::vector<double>& xs, const std::vector<double>& ys, int idx, double x, int order)
+inline double interpolate_lagrangian(const std::vector<double>& xs,
+  const std::vector<double>& ys, int idx, double x, int order)
 {
   std::vector<double> coeffs;
 
@@ -55,9 +55,8 @@ inline double interpolate_lagrangian(
     coeffs.begin(), coeffs.end(), ys.begin() + idx, 0.0);
 }
 
-double interpolate(const std::vector<double>& xs,
-  const std::vector<double>& ys, double x,
-  Interpolation i = Interpolation::lin_lin)
+double interpolate(const std::vector<double>& xs, const std::vector<double>& ys,
+  double x, Interpolation i = Interpolation::lin_lin)
 {
   int idx = lower_bound_index(xs.begin(), xs.end(), x);
 
@@ -75,20 +74,22 @@ double interpolate(const std::vector<double>& xs,
     return interpolate_log_lin(xs[idx], xs[idx + 1], ys[idx], ys[idx + 1], x);
   case Interpolation::quadratic:
     // move back one point if x is in the last interval of the x-grid
-    if (idx == xs.size() - 2 && idx > 0) idx--;
+    if (idx == xs.size() - 2 && idx > 0)
+      idx--;
     return interpolate_lagrangian(xs, ys, idx, x, 2);
   case Interpolation::cubic:
     // if x is not in the first interval of the x-grid, move back one
-    if (idx > 0) idx--;
+    if (idx > 0)
+      idx--;
     // if the index was the last interval of the x-grid, move it back one more
-    if (idx == xs.size() - 3) idx--;
+    if (idx == xs.size() - 3)
+      idx--;
     return interpolate_lagrangian(xs, ys, idx, x, 3);
   default:
     fatal_error("Unsupported interpolation");
   }
 }
 
-
 } // namespace openmc
 
 #endif
\ No newline at end of file
diff --git a/src/tallies/filter_energyfunc.cpp b/src/tallies/filter_energyfunc.cpp
index 170c05262..bf2b2e6cb 100644
--- a/src/tallies/filter_energyfunc.cpp
+++ b/src/tallies/filter_energyfunc.cpp
@@ -40,11 +40,16 @@ void EnergyFunctionFilter::from_xml(pugi::xml_node node)
       interpolation_ = Interpolation::log_log;
     } else if (interpolation == "quadratic") {
       if (energy.size() < 3)
-      fatal_error(fmt::format("Quadratic interpolation on EnergyFunctionFilter {} requires at least 3 data points.", id()));
+        fatal_error(
+          fmt::format("Quadratic interpolation on EnergyFunctionFilter {} "
+                      "requires at least 3 data points.",
+            id()));
       interpolation_ = Interpolation::quadratic;
     } else if (interpolation == "cubic") {
       if (energy.size() < 4)
-      fatal_error(fmt::format("Cubic interpolation on EnergyFunctionFilter {} requires at least 4 data points.", id()));
+        fatal_error(fmt::format("Cubic interpolation on EnergyFunctionFilter "
+                                "{} requires at least 4 data points.",
+          id()));
       interpolation_ = Interpolation::cubic;
     } else {
       fatal_error(fmt::format(

From 476feab519f357bbff1089364540c5f502befd9c Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Fri, 9 Sep 2022 11:40:15 +0100
Subject: [PATCH 0968/2654] changing the description of tracks arg

---
 openmc/executor.py    |  8 ++++++--
 openmc/mesh.py        | 30 ++++++++++++++++++++++++++++++
 openmc/model/model.py |  8 ++++++--
 3 files changed, 42 insertions(+), 4 deletions(-)

diff --git a/openmc/executor.py b/openmc/executor.py
index 357fa64d5..a73d896ff 100644
--- a/openmc/executor.py
+++ b/openmc/executor.py
@@ -31,7 +31,9 @@ def _process_CLI_arguments(volume=False, geometry_debug=False, particles=None,
         to the number of hardware threads available (or a value set by the
         :envvar:`OMP_NUM_THREADS` environment variable).
     tracks : bool, optional
-        Write tracks for all particles. Defaults to False.
+        Enables the writing of particles tracks. The number of particle
+        tracks written to tracks.h5 is limited to 1000 unless
+        Settings.max_tracks is set. Defaults to False.
     event_based : None or bool, optional
         Turns on event-based parallelism if True. If None, the value in
         the Settings will be used.
@@ -245,7 +247,9 @@ def run(particles=None, threads=None, geometry_debug=False,
     restart_file : str, optional
         Path to restart file to use
     tracks : bool, optional
-        Write tracks for all particles. Defaults to False.
+        Enables the writing of particles tracks. The number of particle
+        tracks written to tracks.h5 is limited to 1000 unless
+        Settings.max_tracks is set. Defaults to False.
     output : bool
         Capture OpenMC output from standard out
     cwd : str, optional
diff --git a/openmc/mesh.py b/openmc/mesh.py
index 8ac4b1594..9f191e879 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -458,6 +458,36 @@ class RegularMesh(StructuredMesh):
         string += '{0: <16}{1}{2}\n'.format('\tWidth', '=\t', self._width)
         return string
 
+    @classmethod
+    def from_universe(cls, universe, dimension=[10, 10, 10], mesh_id=None, name=''):
+        """Create mesh from an existing openmc universe
+
+        Parameters
+        ----------
+        universe : openmc.Universe
+            Open used as a template for this mesh
+        dimension : Iterable of int
+            The number of mesh cells in each direction.
+        mesh_id : int
+            Unique identifier for the mesh
+        name : str
+            Name of the mesh
+
+        Returns
+        -------
+        openmc.RegularMesh
+            RegularMesh instance
+
+        """
+        cv.check_type('rectangular lattice', universe, openmc.Universe)
+
+        mesh = cls(mesh_id, name)
+        mesh.lower_left = universe.bounding_box[0]
+        mesh.upper_right = universe.bounding_box[1]
+        mesh.dimension = dimension
+
+        return mesh
+
     @classmethod
     def from_hdf5(cls, group):
         mesh_id = int(group.name.split('/')[-1].lstrip('mesh '))
diff --git a/openmc/model/model.py b/openmc/model/model.py
index ab99ac978..625094cce 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -256,7 +256,9 @@ class Model:
         restart_file : str, optional
             Path to restart file to use
         tracks : bool, optional
-            Write tracks for all particles. Defaults to False.
+            Enables the writing of particles tracks. The number of particle
+            tracks written to tracks.h5 is limited to 1000 unless
+            Settings.max_tracks is set. Defaults to False.
         output : bool
             Capture OpenMC output from standard out
         event_based : None or bool, optional
@@ -517,7 +519,9 @@ class Model:
         restart_file : str, optional
             Path to restart file to use
         tracks : bool, optional
-            Write tracks for all particles. Defaults to False.
+            Enables the writing of particles tracks. The number of particle
+            tracks written to tracks.h5 is limited to 1000 unless
+            Settings.max_tracks is set. Defaults to False.
         output : bool, optional
             Capture OpenMC output from standard out
         cwd : str, optional

From a17ef0403ab9e64ad5f4d4427c7caad0efa52e9f Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Fri, 9 Sep 2022 11:42:44 +0100
Subject: [PATCH 0969/2654] removed unrelated code

---
 openmc/mesh.py | 30 ------------------------------
 1 file changed, 30 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 9f191e879..8ac4b1594 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -458,36 +458,6 @@ class RegularMesh(StructuredMesh):
         string += '{0: <16}{1}{2}\n'.format('\tWidth', '=\t', self._width)
         return string
 
-    @classmethod
-    def from_universe(cls, universe, dimension=[10, 10, 10], mesh_id=None, name=''):
-        """Create mesh from an existing openmc universe
-
-        Parameters
-        ----------
-        universe : openmc.Universe
-            Open used as a template for this mesh
-        dimension : Iterable of int
-            The number of mesh cells in each direction.
-        mesh_id : int
-            Unique identifier for the mesh
-        name : str
-            Name of the mesh
-
-        Returns
-        -------
-        openmc.RegularMesh
-            RegularMesh instance
-
-        """
-        cv.check_type('rectangular lattice', universe, openmc.Universe)
-
-        mesh = cls(mesh_id, name)
-        mesh.lower_left = universe.bounding_box[0]
-        mesh.upper_right = universe.bounding_box[1]
-        mesh.dimension = dimension
-
-        return mesh
-
     @classmethod
     def from_hdf5(cls, group):
         mesh_id = int(group.name.split('/')[-1].lstrip('mesh '))

From 1cfbd67659292978265468db35a33110585f2b8b Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Fri, 9 Sep 2022 14:47:11 +0100
Subject: [PATCH 0970/2654] added bbox class method to regular mesh

---
 openmc/mesh.py                                | 44 +++++++++++++
 .../unit_tests/test_mesh_from_bounding_box.py | 63 +++++++++++++++++++
 2 files changed, 107 insertions(+)
 create mode 100644 tests/unit_tests/test_mesh_from_bounding_box.py

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 8ac4b1594..cdbd4f1be 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -279,6 +279,7 @@ class StructuredMesh(MeshBase):
 
         return vtk_grid
 
+
 class RegularMesh(StructuredMesh):
     """A regular Cartesian mesh in one, two, or three dimensions
 
@@ -509,6 +510,49 @@ class RegularMesh(StructuredMesh):
 
         return mesh
 
+    @classmethod
+    def from_bounding_box(
+        cls,
+        bounding_box,
+        dimension=[100, 100, 100],
+        mesh_id=None,
+        name=''
+    ):
+        """Create mesh from an existing openmc cell, region, universe or
+        geometry by making use of the objects bounding box property.
+
+        Parameters
+        ----------
+        bounding_box : {openmc.Cell, openmc.Region, openmc.Universe, openmc.Geometry}
+            The object passed in will be used as a template for this mesh. The
+            bounding_box of the property of the object passed will be used to
+            set the lower_left and upper_right of the mesh instance
+        dimension : Iterable of int
+            The number of mesh cells in each direction.
+        mesh_id : int
+            Unique identifier for the mesh
+        name : str
+            Name of the mesh
+
+        Returns
+        -------
+        openmc.RegularMesh
+            RegularMesh instance
+
+        """
+        cv.check_type(
+            "bounding_box",
+            bounding_box,
+            (openmc.Cell, openmc.Region, openmc.Universe, openmc.Geometry),
+        )
+
+        mesh = cls(mesh_id, name)
+        mesh.lower_left = bounding_box.bounding_box[0]
+        mesh.upper_right = bounding_box.bounding_box[1]
+        mesh.dimension = dimension
+
+        return mesh
+
     def to_xml_element(self):
         """Return XML representation of the mesh
 
diff --git a/tests/unit_tests/test_mesh_from_bounding_box.py b/tests/unit_tests/test_mesh_from_bounding_box.py
new file mode 100644
index 000000000..4f3d99128
--- /dev/null
+++ b/tests/unit_tests/test_mesh_from_bounding_box.py
@@ -0,0 +1,63 @@
+import numpy as np
+import openmc
+import pytest
+
+
+def test_mesh_from_cell():
+    """Tests a RegularMesh can be made from a Cell and the specified dimensions
+    are propagated through. Cell is not centralized"""
+    surface = openmc.Sphere(r=10, x0=2, y0=3, z0=5)
+    cell = openmc.Cell(region=-surface)
+
+    mesh = openmc.RegularMesh.from_bounding_box(cell, dimension=[7, 11, 13])
+    assert isinstance(mesh, openmc.RegularMesh)
+    assert np.array_equal(mesh.dimension, (7, 11, 13))
+    assert np.array_equal(mesh.lower_left, cell.bounding_box[0])
+    assert np.array_equal(mesh.upper_right, cell.bounding_box[1])
+
+
+def test_mesh_from_region():
+    """Tests a RegularMesh can be made from a Region and the default dimensions
+    are propagated through. Region is not centralized"""
+    surface = openmc.Sphere(r=1, x0=-5, y0=-3, z0=-2)
+    region = -surface
+
+    mesh = openmc.RegularMesh.from_bounding_box(region)
+    assert isinstance(mesh, openmc.RegularMesh)
+    assert np.array_equal(mesh.dimension, (100, 100, 100))  # default values
+    assert np.array_equal(mesh.lower_left, region.bounding_box[0])
+    assert np.array_equal(mesh.upper_right, region.bounding_box[1])
+
+
+def test_mesh_from_universe():
+    """Tests a RegularMesh can be made from a Universe and the default dimensions
+    are propagated through. Universe is centralized"""
+    surface = openmc.Sphere(r=42)
+    cell = openmc.Cell(region=-surface)
+    universe = openmc.Universe(cells=[cell])
+
+    mesh = openmc.RegularMesh.from_bounding_box(universe)
+    assert isinstance(mesh, openmc.RegularMesh)
+    assert np.array_equal(mesh.dimension, (100, 100, 100))  # default values
+    assert np.array_equal(mesh.lower_left, universe.bounding_box[0])
+    assert np.array_equal(mesh.upper_right, universe.bounding_box[1])
+
+
+def test_mesh_from_geometry():
+    """Tests a RegularMesh can be made from a Geometry and the default dimensions
+    are propagated through. Geometry is centralized"""
+    surface = openmc.Sphere(r=42)
+    cell = openmc.Cell(region=-surface)
+    universe = openmc.Universe(cells=[cell])
+    geometry = openmc.Geometry(universe)
+
+    mesh = openmc.RegularMesh.from_bounding_box(geometry)
+    assert isinstance(mesh, openmc.RegularMesh)
+    assert np.array_equal(mesh.dimension, (100, 100, 100))  # default values
+    assert np.array_equal(mesh.lower_left, geometry.bounding_box[0])
+    assert np.array_equal(mesh.upper_right, geometry.bounding_box[1])
+
+
+def test_error_from_unsupported_object():
+    with pytest.raises(TypeError):
+        openmc.RegularMesh.from_bounding_box("vacuum energy")

From abc2c7cd7a00615f87245765193eabefb0c7d8cb Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Fri, 9 Sep 2022 16:45:49 +0100
Subject: [PATCH 0971/2654] renamed dounding_box to domain, review suggestion

---
 openmc/mesh.py                                   | 16 ++++++++--------
 ..._bounding_box.py => test_mesh_from_domain.py} | 10 +++++-----
 2 files changed, 13 insertions(+), 13 deletions(-)
 rename tests/unit_tests/{test_mesh_from_bounding_box.py => test_mesh_from_domain.py} (87%)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index cdbd4f1be..6fefb7b4c 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -511,9 +511,9 @@ class RegularMesh(StructuredMesh):
         return mesh
 
     @classmethod
-    def from_bounding_box(
+    def from_domain(
         cls,
-        bounding_box,
+        domain,
         dimension=[100, 100, 100],
         mesh_id=None,
         name=''
@@ -523,9 +523,9 @@ class RegularMesh(StructuredMesh):
 
         Parameters
         ----------
-        bounding_box : {openmc.Cell, openmc.Region, openmc.Universe, openmc.Geometry}
+        domain : {openmc.Cell, openmc.Region, openmc.Universe, openmc.Geometry}
             The object passed in will be used as a template for this mesh. The
-            bounding_box of the property of the object passed will be used to
+            domain of the property of the object passed will be used to
             set the lower_left and upper_right of the mesh instance
         dimension : Iterable of int
             The number of mesh cells in each direction.
@@ -541,14 +541,14 @@ class RegularMesh(StructuredMesh):
 
         """
         cv.check_type(
-            "bounding_box",
-            bounding_box,
+            "domain",
+            domain,
             (openmc.Cell, openmc.Region, openmc.Universe, openmc.Geometry),
         )
 
         mesh = cls(mesh_id, name)
-        mesh.lower_left = bounding_box.bounding_box[0]
-        mesh.upper_right = bounding_box.bounding_box[1]
+        mesh.lower_left = domain.bounding_box[0]
+        mesh.upper_right = domain.bounding_box[1]
         mesh.dimension = dimension
 
         return mesh
diff --git a/tests/unit_tests/test_mesh_from_bounding_box.py b/tests/unit_tests/test_mesh_from_domain.py
similarity index 87%
rename from tests/unit_tests/test_mesh_from_bounding_box.py
rename to tests/unit_tests/test_mesh_from_domain.py
index 4f3d99128..2140d5625 100644
--- a/tests/unit_tests/test_mesh_from_bounding_box.py
+++ b/tests/unit_tests/test_mesh_from_domain.py
@@ -9,7 +9,7 @@ def test_mesh_from_cell():
     surface = openmc.Sphere(r=10, x0=2, y0=3, z0=5)
     cell = openmc.Cell(region=-surface)
 
-    mesh = openmc.RegularMesh.from_bounding_box(cell, dimension=[7, 11, 13])
+    mesh = openmc.RegularMesh.from_domain(cell, dimension=[7, 11, 13])
     assert isinstance(mesh, openmc.RegularMesh)
     assert np.array_equal(mesh.dimension, (7, 11, 13))
     assert np.array_equal(mesh.lower_left, cell.bounding_box[0])
@@ -22,7 +22,7 @@ def test_mesh_from_region():
     surface = openmc.Sphere(r=1, x0=-5, y0=-3, z0=-2)
     region = -surface
 
-    mesh = openmc.RegularMesh.from_bounding_box(region)
+    mesh = openmc.RegularMesh.from_domain(region)
     assert isinstance(mesh, openmc.RegularMesh)
     assert np.array_equal(mesh.dimension, (100, 100, 100))  # default values
     assert np.array_equal(mesh.lower_left, region.bounding_box[0])
@@ -36,7 +36,7 @@ def test_mesh_from_universe():
     cell = openmc.Cell(region=-surface)
     universe = openmc.Universe(cells=[cell])
 
-    mesh = openmc.RegularMesh.from_bounding_box(universe)
+    mesh = openmc.RegularMesh.from_domain(universe)
     assert isinstance(mesh, openmc.RegularMesh)
     assert np.array_equal(mesh.dimension, (100, 100, 100))  # default values
     assert np.array_equal(mesh.lower_left, universe.bounding_box[0])
@@ -51,7 +51,7 @@ def test_mesh_from_geometry():
     universe = openmc.Universe(cells=[cell])
     geometry = openmc.Geometry(universe)
 
-    mesh = openmc.RegularMesh.from_bounding_box(geometry)
+    mesh = openmc.RegularMesh.from_domain(geometry)
     assert isinstance(mesh, openmc.RegularMesh)
     assert np.array_equal(mesh.dimension, (100, 100, 100))  # default values
     assert np.array_equal(mesh.lower_left, geometry.bounding_box[0])
@@ -60,4 +60,4 @@ def test_mesh_from_geometry():
 
 def test_error_from_unsupported_object():
     with pytest.raises(TypeError):
-        openmc.RegularMesh.from_bounding_box("vacuum energy")
+        openmc.RegularMesh.from_domain("vacuum energy")

From 88c2ff9198b1ba2671ad614278170f433dd7480f Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <drshimwell@gmail.com>
Date: Fri, 9 Sep 2022 16:48:05 +0100
Subject: [PATCH 0972/2654] [skip ci] one too many domains

---
 openmc/mesh.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 6fefb7b4c..a4c50a608 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -525,7 +525,7 @@ class RegularMesh(StructuredMesh):
         ----------
         domain : {openmc.Cell, openmc.Region, openmc.Universe, openmc.Geometry}
             The object passed in will be used as a template for this mesh. The
-            domain of the property of the object passed will be used to
+            bounding box of the property of the object passed will be used to
             set the lower_left and upper_right of the mesh instance
         dimension : Iterable of int
             The number of mesh cells in each direction.

From 21f1d5142bfc9a9ebbb452a347af7b289779d932 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Fri, 9 Sep 2022 17:08:40 +0100
Subject: [PATCH 0973/2654] renamed tests to reg_mesh prefix

---
 tests/unit_tests/test_mesh_from_domain.py | 8 ++++----
 1 file changed, 4 insertions(+), 4 deletions(-)

diff --git a/tests/unit_tests/test_mesh_from_domain.py b/tests/unit_tests/test_mesh_from_domain.py
index 2140d5625..ce27288ad 100644
--- a/tests/unit_tests/test_mesh_from_domain.py
+++ b/tests/unit_tests/test_mesh_from_domain.py
@@ -3,7 +3,7 @@ import openmc
 import pytest
 
 
-def test_mesh_from_cell():
+def test_reg_mesh_from_cell():
     """Tests a RegularMesh can be made from a Cell and the specified dimensions
     are propagated through. Cell is not centralized"""
     surface = openmc.Sphere(r=10, x0=2, y0=3, z0=5)
@@ -16,7 +16,7 @@ def test_mesh_from_cell():
     assert np.array_equal(mesh.upper_right, cell.bounding_box[1])
 
 
-def test_mesh_from_region():
+def test_reg_mesh_from_region():
     """Tests a RegularMesh can be made from a Region and the default dimensions
     are propagated through. Region is not centralized"""
     surface = openmc.Sphere(r=1, x0=-5, y0=-3, z0=-2)
@@ -29,7 +29,7 @@ def test_mesh_from_region():
     assert np.array_equal(mesh.upper_right, region.bounding_box[1])
 
 
-def test_mesh_from_universe():
+def test_reg_mesh_from_universe():
     """Tests a RegularMesh can be made from a Universe and the default dimensions
     are propagated through. Universe is centralized"""
     surface = openmc.Sphere(r=42)
@@ -43,7 +43,7 @@ def test_mesh_from_universe():
     assert np.array_equal(mesh.upper_right, universe.bounding_box[1])
 
 
-def test_mesh_from_geometry():
+def test_reg_mesh_from_geometry():
     """Tests a RegularMesh can be made from a Geometry and the default dimensions
     are propagated through. Geometry is centralized"""
     surface = openmc.Sphere(r=42)

From b8ffbe000ba8cc002f752a09f192bcb18183d857 Mon Sep 17 00:00:00 2001
From: josh <josh@radiantnuclear.com>
Date: Sat, 10 Sep 2022 00:07:31 +0000
Subject: [PATCH 0974/2654] Add a basic cache system for the burnable material
 reaction rates tallies

---
 openmc/deplete/helpers.py         | 43 ++++++++++++++++++++++++++++---
 openmc/deplete/openmc_operator.py |  3 +++
 2 files changed, 43 insertions(+), 3 deletions(-)

diff --git a/openmc/deplete/helpers.py b/openmc/deplete/helpers.py
index 3a7928a52..b21e58e21 100644
--- a/openmc/deplete/helpers.py
+++ b/openmc/deplete/helpers.py
@@ -147,6 +147,7 @@ class DirectReactionRateHelper(ReactionRateHelper):
     def __init__(self, n_nuc, n_react):
         super().__init__(n_nuc, n_react)
         self._rate_tally = None
+        self._rate_tally_means = None
 
         # Automatically pre-calculate reaction rates for depletion
         openmc.lib.settings.need_depletion_rx = True
@@ -176,6 +177,18 @@ class DirectReactionRateHelper(ReactionRateHelper):
         self._rate_tally.scores = scores
         self._rate_tally.filters = [MaterialFilter(materials)]
 
+    @property
+    def rate_tally_means(self):
+        # If the mean cache is empty, fill it once with this transport cycle's results
+        if self._rate_tally_means is None:
+            self._rate_tally_means = self._rate_tally.mean
+        return self._rate_tally_means
+
+    def reset_tally_means(self):
+        """Reset the cached mean rate tallies. This step must be performed after each transport cycle
+        """
+        self._rate_tally_means = None
+
     def get_material_rates(self, mat_id, nuc_index, react_index):
         """Return an array of reaction rates for a material
 
@@ -196,7 +209,7 @@ class DirectReactionRateHelper(ReactionRateHelper):
             reaction rates in this material
         """
         self._results_cache.fill(0.0)
-        full_tally_res = self._rate_tally.mean[mat_id]
+        full_tally_res = self.rate_tally_means[mat_id]
         for i_tally, (i_nuc, i_react) in enumerate(
                 product(nuc_index, react_index)):
             self._results_cache[i_nuc, i_react] = full_tally_res[i_tally]
@@ -278,6 +291,7 @@ class FluxCollapseHelper(ReactionRateHelper):
             EnergyFilter(self._energies)
         ]
         self._flux_tally.scores = ['flux']
+        self._flux_tally_means_cache = None
 
         # Create reaction rate tally
         if self._reactions_direct:
@@ -285,9 +299,32 @@ class FluxCollapseHelper(ReactionRateHelper):
             self._rate_tally.writable = False
             self._rate_tally.scores = self._reactions_direct
             self._rate_tally.filters = [MaterialFilter(materials)]
+            self._rate_tally_means_cache = None
             if self._nuclides_direct is not None:
                 self._rate_tally.nuclides = self._nuclides_direct
 
+    @property
+    def rate_tally_means(self):
+        # If the mean cache is empty, fill it once with this transport cycle's results
+        if self._rate_tally_means_cache is None:
+            self._rate_tally_means_cache = self._rate_tally.mean
+        return self._rate_tally_means_cache
+
+    @property
+    def flux_tally_means(self):
+        # If the mean cache is empty, fill it once for this transport cycle's results
+        if self._flux_tally_means_cache is None:
+            self._flux_tally_means_cache = self._flux_tally.mean
+        return self._flux_tally_means_cache
+
+    def reset_tally_means(self):
+        """Reset the cached mean rate and flux tallies. This step must be performed after each transport cycle
+        """
+        self._flux_tally_means_cache = None
+        if self._reactions_direct:
+            self._rate_tally_means_cache = None
+
+
     def get_material_rates(self, mat_index, nuc_index, react_index):
         """Return an array of reaction rates for a material
 
@@ -312,14 +349,14 @@ class FluxCollapseHelper(ReactionRateHelper):
 
         # Get flux for specified material
         shape = (len(self._materials), len(self._energies) - 1)
-        mean_value = self._flux_tally.mean.reshape(shape)
+        mean_value = self.flux_tally_means.reshape(shape)
         flux = mean_value[mat_index]
 
         # Get direct reaction rates
         if self._reactions_direct:
             nuclides_direct = self._rate_tally.nuclides
             shape = (len(nuclides_direct), len(self._reactions_direct))
-            rx_rates = self._rate_tally.mean[mat_index].reshape(shape)
+            rx_rates = self.rate_tally_means[mat_index].reshape(shape)
 
         mat = self._materials[mat_index]
 
diff --git a/openmc/deplete/openmc_operator.py b/openmc/deplete/openmc_operator.py
index ee569bf71..76f8e964e 100644
--- a/openmc/deplete/openmc_operator.py
+++ b/openmc/deplete/openmc_operator.py
@@ -507,6 +507,9 @@ class OpenMCOperator(TransportOperator):
 
         fission_ind = rates.index_rx.get("fission")
 
+        # Reset the cached material reaction rates tallies
+        self._rate_helper.reset_tally_means()
+
         # Extract results
         for i, mat in enumerate(self.local_mats):
             # Get tally index

From 9ec20b507a1ae691ebd0666e9214ffb4b85fbfa2 Mon Sep 17 00:00:00 2001
From: josh <josh@radiantnuclear.com>
Date: Sat, 10 Sep 2022 00:35:37 +0000
Subject: [PATCH 0975/2654] Rename cache variable

---
 openmc/deplete/helpers.py | 16 +++++++++-------
 1 file changed, 9 insertions(+), 7 deletions(-)

diff --git a/openmc/deplete/helpers.py b/openmc/deplete/helpers.py
index b21e58e21..fd1207280 100644
--- a/openmc/deplete/helpers.py
+++ b/openmc/deplete/helpers.py
@@ -147,7 +147,6 @@ class DirectReactionRateHelper(ReactionRateHelper):
     def __init__(self, n_nuc, n_react):
         super().__init__(n_nuc, n_react)
         self._rate_tally = None
-        self._rate_tally_means = None
 
         # Automatically pre-calculate reaction rates for depletion
         openmc.lib.settings.need_depletion_rx = True
@@ -176,18 +175,20 @@ class DirectReactionRateHelper(ReactionRateHelper):
         self._rate_tally.writable = False
         self._rate_tally.scores = scores
         self._rate_tally.filters = [MaterialFilter(materials)]
+        self._rate_tally_means_cache = None
 
     @property
     def rate_tally_means(self):
         # If the mean cache is empty, fill it once with this transport cycle's results
-        if self._rate_tally_means is None:
-            self._rate_tally_means = self._rate_tally.mean
-        return self._rate_tally_means
+        if self._rate_tally_means_cache is None:
+            self._rate_tally_means_cache = self._rate_tally.mean
+        return self._rate_tally_means_cache
 
     def reset_tally_means(self):
-        """Reset the cached mean rate tallies. This step must be performed after each transport cycle
+        """Reset the cached mean rate tallies.
+        This step must be performed after each transport cycle
         """
-        self._rate_tally_means = None
+        self._rate_tally_means_cache = None
 
     def get_material_rates(self, mat_id, nuc_index, react_index):
         """Return an array of reaction rates for a material
@@ -318,7 +319,8 @@ class FluxCollapseHelper(ReactionRateHelper):
         return self._flux_tally_means_cache
 
     def reset_tally_means(self):
-        """Reset the cached mean rate and flux tallies. This step must be performed after each transport cycle
+        """Reset the cached mean rate and flux tallies.
+        This step must be performed after each transport cycle
         """
         self._flux_tally_means_cache = None
         if self._reactions_direct:

From c4b5f067cdab8f0177e69135da6d58bc7d1808fc Mon Sep 17 00:00:00 2001
From: josh <josh@radiantnuclear.com>
Date: Sat, 10 Sep 2022 00:56:29 +0000
Subject: [PATCH 0976/2654] Add blank reset function to IndependentRateHelper

---
 openmc/deplete/independent_operator.py | 4 ++++
 1 file changed, 4 insertions(+)

diff --git a/openmc/deplete/independent_operator.py b/openmc/deplete/independent_operator.py
index 200bc195e..7f0bf5fb2 100644
--- a/openmc/deplete/independent_operator.py
+++ b/openmc/deplete/independent_operator.py
@@ -303,6 +303,10 @@ class IndependentOperator(OpenMCOperator):
             """Unused in this case"""
             pass
 
+        def reset_tally_means(self):
+            """Unused in this case"""
+            pass
+
         def get_material_rates(self, mat_id, nuc_index, react_index):
             """Return 2D array of [nuclide, reaction] reaction rates
 

From 15a75284f4c50d6543055b7621d5151f240f5bfa Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Sun, 11 Sep 2022 14:03:23 -0500
Subject: [PATCH 0977/2654] make statements about multiple materials and env
 vars more precise

---
 docs/source/usersguide/depletion.rst | 22 ++++++++++++----------
 1 file changed, 12 insertions(+), 10 deletions(-)

diff --git a/docs/source/usersguide/depletion.rst b/docs/source/usersguide/depletion.rst
index b0d8ff454..ca4228efa 100644
--- a/docs/source/usersguide/depletion.rst
+++ b/docs/source/usersguide/depletion.rst
@@ -298,10 +298,10 @@ units of barns::
 
 If you are runnnig :meth:`~openmc.deplete.MicroXS.from_model()` on a cluster
 that does not share local filesystems across nodes, you'll need to set an
-environment variable so that each MPI process knows where to store output files
-used to calculate the microscopic cross sections. In order of priority, they
-are `TMPDIR`. `TEMP`, and `TMP`. Users interested in further details can read
-the `relevant docpage on the tempfile pacakge <https://docs.python.org/3/library/tempfile.html#tempfile.gettempdir>`_
+environment variable pointing to a directory accessible by MPI so that each
+MPI process knows where to store output files used to calculate the microscopic
+cross sections. In order of priority, they are `TMPDIR`. `TEMP`, and `TMP`.
+Users interested in further details can read the `relevant docpage on the tempfile pacakge <https://docs.python.org/3/library/tempfile.html#tempfile.gettempdir>`_
 
 
 Caveats
@@ -325,7 +325,7 @@ normalizing reaction rates:
    the cross sections by the ``source-rate``.
 2. ``fission-q`` normalization, which uses the ``power`` or ``power_density``
    provided by the time integrator to obtain reaction rates by computing a value
-   for the flux based on this power. The general equation for the flux is
+   for the flux based on this power. The equation we use for this calculation is
 
    .. math::
       :label: fission-q
@@ -354,11 +354,13 @@ Multiple Materials
 
 A transport-independent depletion simulation using ``source-race`` normalization
 will calculate reaction rates for each material independently. This can be
-useful for running many different cases of a particular scenario. A depletion
-simulation using ``fission-q`` normalization will sum the energy values from
-each material into :math:`Q` in Equation :math:numref:`fission-q`, which is
-used to normalize the reaction rates for all materials. This behavior may
-change in the future.
+useful for running many different cases of a particular scenario. A 
+transport-independent depletion simulation using ``fission-q`` normalization
+will sum the fission energy values across all materials into :math:`Q_i` in 
+Equation :math:numref:`fission-q`, and Equation :math:numref:`fission-q`
+provides the flux we use to calculate the reaction rates in each material.
+This can be useful for running a scenario with multiple depletable materials
+that are part of the same reactor. This behavior may change in the future.
 
 Time integration
 ~~~~~~~~~~~~~~~~

From f5625c922990614f27d01ff3a141b4bcfcda37f6 Mon Sep 17 00:00:00 2001
From: josh <josh@radiantnuclear.com>
Date: Mon, 12 Sep 2022 17:08:41 +0000
Subject: [PATCH 0978/2654] Update documentation and formatting

---
 openmc/deplete/helpers.py | 13 ++++++++++---
 1 file changed, 10 insertions(+), 3 deletions(-)

diff --git a/openmc/deplete/helpers.py b/openmc/deplete/helpers.py
index fd1207280..e51106544 100644
--- a/openmc/deplete/helpers.py
+++ b/openmc/deplete/helpers.py
@@ -179,6 +179,8 @@ class DirectReactionRateHelper(ReactionRateHelper):
 
     @property
     def rate_tally_means(self):
+        """The mean results of the tally of every material's reaction rates for this cycle
+        """
         # If the mean cache is empty, fill it once with this transport cycle's results
         if self._rate_tally_means_cache is None:
             self._rate_tally_means_cache = self._rate_tally.mean
@@ -186,7 +188,9 @@ class DirectReactionRateHelper(ReactionRateHelper):
 
     def reset_tally_means(self):
         """Reset the cached mean rate tallies.
-        This step must be performed after each transport cycle
+        .. note::
+            
+                This step must be performed after each transport cycle
         """
         self._rate_tally_means_cache = None
 
@@ -306,6 +310,8 @@ class FluxCollapseHelper(ReactionRateHelper):
 
     @property
     def rate_tally_means(self):
+        """The mean results of the tally of every material's reaction rates for this cycle
+        """
         # If the mean cache is empty, fill it once with this transport cycle's results
         if self._rate_tally_means_cache is None:
             self._rate_tally_means_cache = self._rate_tally.mean
@@ -320,13 +326,14 @@ class FluxCollapseHelper(ReactionRateHelper):
 
     def reset_tally_means(self):
         """Reset the cached mean rate and flux tallies.
-        This step must be performed after each transport cycle
+        .. note::
+            
+                This step must be performed after each transport cycle
         """
         self._flux_tally_means_cache = None
         if self._reactions_direct:
             self._rate_tally_means_cache = None
 
-
     def get_material_rates(self, mat_index, nuc_index, react_index):
         """Return an array of reaction rates for a material
 

From ab665fb4563be28b6cfd365634049c90f133f485 Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erik.knudsen@copenhagenatomics.com>
Date: Fri, 15 Jul 2022 21:35:59 +0200
Subject: [PATCH 0979/2654] fix typo

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 CMakeLists.txt | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 6af9643cd..be56f1c12 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -36,7 +36,7 @@ option(OPENMC_ENABLE_COVERAGE "Compile with coverage analysis flags"
 option(OPENMC_USE_DAGMC       "Enable support for DAGMC (CAD) geometry"              OFF)
 option(OPENMC_USE_LIBMESH     "Enable support for libMesh unstructured mesh tallies" OFF)
 option(OPENMC_USE_MPI         "Enable MPI"                                           OFF)
-option(OPENMC_USE_MCPL        "Enable MPCPL"                                         OFF)
+option(OPENMC_USE_MCPL        "Enable MCPL"                                          OFF)
 
 #===============================================================================
 # Set a default build configuration if not explicitly specified

From 71568d4f4bffa21a2a9c26725619cd180a9a59ff Mon Sep 17 00:00:00 2001
From: erkn <erik@vonbrun.org>
Date: Tue, 9 Aug 2022 08:12:19 +0200
Subject: [PATCH 0980/2654] refactor MCPL file read part of FileSource

A new constructor is added to FileSource that reads from
a given MCPL-file.
---
 include/openmc/source.h |  30 ++---------
 src/settings.cpp        |   2 +-
 src/source.cpp          | 116 +++++++++++++++++-----------------------
 3 files changed, 53 insertions(+), 95 deletions(-)

diff --git a/include/openmc/source.h b/include/openmc/source.h
index 4d7ec104a..5c2dae931 100644
--- a/include/openmc/source.h
+++ b/include/openmc/source.h
@@ -96,7 +96,9 @@ class FileSource : public Source {
 public:
   // Constructors
   explicit FileSource(std::string path);
-
+#ifdef OPENMC_MCPL
+  explicit FileSource(mcpl_file_t mcpl_file);
+#endif
   // Methods
   SourceSite sample(uint64_t* seed) const override;
 
@@ -104,32 +106,6 @@ private:
   vector<SourceSite> sites_; //!< Source sites from a file
 };
 
-#ifdef OPENMC_MCPL
-//==============================================================================
-// MCPL-file input source
-//==============================================================================
-class MCPLFileSource : public Source {
-public:
-  // Constructors, destructors
-  MCPLFileSource(std::string path);
-  ~MCPLFileSource();
-
-  // Methods
-  //! Sample from the external source distribution
-  //! \param[inout] seed Pseudorandom seed pointer
-  //! \return Site read from MCPL-file
-  SourceSite sample(uint64_t* seed) const;
-
-private:
-  SourceSite read_single_particle() const;
-  void read_source_bank(vector<SourceSite> &sites_);
-
-  vector <SourceSite> sites_; //!<source sites from an MCPL-file
-  mcpl_file_t mcpl_file;
-  uint64_t n_sites;
-};
-#endif
-
 //==============================================================================
 //! Wrapper for custom sources that manages opening/closing shared library
 //==============================================================================
diff --git a/src/settings.cpp b/src/settings.cpp
index d419cab06..11dd96e02 100644
--- a/src/settings.cpp
+++ b/src/settings.cpp
@@ -433,7 +433,7 @@ void read_settings_xml()
 #ifdef OPENMC_MCPL
     } else if (check_for_node(node, "mcpl")) {
       auto path = get_node_value(node, "mcpl", false, true);
-      model::external_sources.push_back(make_unique<MCPLFileSource>(path));
+      model::external_sources.push_back(make_unique<FileSource>(mcpl_open_file(path.c_str())));
 #endif
     } else if (check_for_node(node, "library")) {
       // Get shared library path and parameters
diff --git a/src/source.cpp b/src/source.cpp
index 9b426c3cf..9cdf1632b 100644
--- a/src/source.cpp
+++ b/src/source.cpp
@@ -283,6 +283,54 @@ FileSource::FileSource(std::string path)
   file_close(file_id);
 }
 
+#ifdef OPENMC_MCPL
+FileSource::FileSource(mcpl_file_t mcpl_file)
+{
+  //do checks on the mcpl_file to see if particles are many enough.
+  // should model this on the example source shown in the docs.
+  size_t n_sites=mcpl_hdr_nparticles(mcpl_file);
+
+  sites_.resize(n_sites);
+  for (int i=0;i<n_sites;i++){
+    SourceSite site_;
+
+    const mcpl_particle_t *mcpl_particle;
+    //extract particle from mcpl-file
+    mcpl_particle=mcpl_read(mcpl_file);
+    // check if it is a neutron or a photon. otherwise skip
+    while ( mcpl_particle->pdgcode!=2112 && mcpl_particle->pdgcode!=22 ) {
+      mcpl_particle=mcpl_read(mcpl_file);
+      //should check for file exhaustion This could happen if particles are other than
+      //neutrons or photons
+    }
+
+    if(mcpl_particle->pdgcode==2112) {
+      site_.particle=ParticleType::neutron;
+    } else if (mcpl_particle->pdgcode==22) {
+      site_.particle=ParticleType::photon;
+    }
+
+    //particle is good, convert to openmc-formalism
+    site_.r.x=mcpl_particle->position[0];
+    site_.r.y=mcpl_particle->position[1];
+    site_.r.z=mcpl_particle->position[2];
+
+    site_.u.x=mcpl_particle->direction[0];
+    site_.u.y=mcpl_particle->direction[1];
+    site_.u.z=mcpl_particle->direction[2];
+
+    //mcpl stores kinetic energy in MeV
+    site_.E=mcpl_particle->ekin*1e6;
+    //mcpl stores time in ms
+    site_.time=mcpl_particle->time*1e-3;
+    site_.wgt=mcpl_particle->weight;
+    site_.delayed_group=0;
+    sites_[i]=site_;
+  }
+  mcpl_close_file(mcpl_file);
+}
+#endif //OPENMC_MCPL
+
 SourceSite FileSource::sample(uint64_t* seed) const
 {
   size_t i_site = sites_.size() * prn(seed);
@@ -366,73 +414,7 @@ MCPLFileSource::MCPLFileSource(std::string path)
 
   read_source_bank(sites_);
 }
-
-MCPLFileSource::~MCPLFileSource(){
-  mcpl_close_file(mcpl_file);
-}
-
-SourceSite MCPLFileSource::sample(uint64_t* seed) const
-{
-  size_t i_site = sites_.size() * prn(seed);
-  return sites_[i_site];
-}
-
-void MCPLFileSource::read_source_bank(vector<SourceSite> &sites_)
-{
-  sites_.resize(n_sites);
-  for (int i=0;i<n_sites;i++){
-    sites_[i]=read_single_particle();
-  }
-}
-
-SourceSite MCPLFileSource::read_single_particle() const
-{
-  SourceSite omc_particle_;
-  const mcpl_particle_t *mcpl_particle;
-  // extract particle from mcpl-file
-  mcpl_particle=mcpl_read(mcpl_file);
-  // check if it is a neutron, photon, electron, or positron. Otherwise skip.
-  int pdg=mcpl_particle->pdgcode;
-  while ( pdg!=2112 && pdg!=22 && pdg!=11 && pdg!=-11) {
-    mcpl_particle=mcpl_read(mcpl_file);
-    pdg=mcpl_particle->pdgcode;
-    //should check for file exhaustion. This could happen if particles are other than
-    //neutrons, photons, electrons, or positrons.
-  }
-
-  switch(pdg){
-    case 2112:
-      omc_particle_.particle=ParticleType::neutron;
-      break;
-    case 22:
-      omc_particle_.particle=ParticleType::photon;
-      break;
-    case 11:
-      omc_particle_.particle=ParticleType::electron;
-      break;
-    case -11:
-      omc_particle_.particle=ParticleType::positron;
-      break;
-  }
-
-  //particle is good, convert to openmc-formalism
-  omc_particle_.r.x=mcpl_particle->position[0];
-  omc_particle_.r.y=mcpl_particle->position[1];
-  omc_particle_.r.z=mcpl_particle->position[2];
-
-  omc_particle_.u.x=mcpl_particle->direction[0];
-  omc_particle_.u.y=mcpl_particle->direction[1];
-  omc_particle_.u.z=mcpl_particle->direction[2];
-
-  //mcpl stores kinetic energy in MeV
-  omc_particle_.E=mcpl_particle->ekin*1e6;
-  //mcpl stores time in ms
-  omc_particle_.time=mcpl_particle->time*1e-3;
-  omc_particle_.wgt=mcpl_particle->weight;
-  omc_particle_.delayed_group=0;
-  return omc_particle_;
-}
-#endif //OPENMC_MCPL
+#endif
 
 //==============================================================================
 // Non-member functions

From 73a391daef86e3a93c0c7180d9ff7f670afff240 Mon Sep 17 00:00:00 2001
From: erkn <erik@vonbrun.org>
Date: Tue, 6 Sep 2022 02:22:21 +0200
Subject: [PATCH 0981/2654] wip add MCPL-out to openmc

code for writing a source_bank/point compiles but is untested
---
 include/openmc/state_point.h |   9 +++
 src/state_point.cpp          | 125 +++++++++++++++++++++++++++++++++++
 2 files changed, 134 insertions(+)

diff --git a/include/openmc/state_point.h b/include/openmc/state_point.h
index 5ada2bf88..2d92c935a 100644
--- a/include/openmc/state_point.h
+++ b/include/openmc/state_point.h
@@ -9,6 +9,10 @@
 #include "openmc/particle.h"
 #include "openmc/vector.h"
 
+#ifdef OPENMC_MCPL
+#include <mcpl.h>
+#endif
+
 namespace openmc {
 
 void load_state_point();
@@ -21,5 +25,10 @@ void write_tally_results_nr(hid_t file_id);
 void restart_set_keff();
 void write_unstructured_mesh_results();
 
+#ifdef OPENMC_MCPL
+void write_mcpl_source_point(const char *filename_, bool surf_source_bank = false);
+void write_mcpl_source_bank(mcpl_outfile_t file_id, bool surf_source_bank);
+#endif
+
 } // namespace openmc
 #endif // OPENMC_STATE_POINT_H
diff --git a/src/state_point.cpp b/src/state_point.cpp
index 9ea045915..babd670a2 100644
--- a/src/state_point.cpp
+++ b/src/state_point.cpp
@@ -28,6 +28,10 @@
 #include "openmc/timer.h"
 #include "openmc/vector.h"
 
+#ifdef OPENMC_MCPL
+#include <mcpl.h>
+#endif
+
 namespace openmc {
 
 extern "C" int openmc_statepoint_write(const char* filename, bool* write_source)
@@ -598,6 +602,45 @@ void write_source_point(const char* filename, bool surf_source_bank)
     file_close(file_id);
 }
 
+void write_mcpl_point(const char *filename, bool surf_source_bank)
+{
+  std::string filename_;
+  if (filename) {
+    filename_ = filename;
+  } else {
+    // Determine width for zero padding
+    int w = std::to_string(settings::n_max_batches).size();
+
+    filename_ = fmt::format("{0}source.{1:0{2}}.mcpl", settings::path_output,
+      simulation::current_batch, w);
+  }
+
+  mcpl_outfile_t file_id;
+
+  std::string line;
+  if (mpi::master) {
+    // this must be rewritten: file_open is h5-specific
+    file_id = mcpl_create_outfile(filename_.c_str());
+    //write_attribute(file_id, "filetype", "source");
+    //write header stuff (oopy in xml-files as binary blobs for instance))
+    if (VERSION_DEV){
+      line=fmt::format("OpenMC {VERSION_MAJOR}.{VERSION_MINOR}.{VERSION_RELEASE}-development");
+    } else {
+      line=fmt::format("OpenMC {VERSION_MAJOR}.{VERSION_MINOR}.{VERSION_RELEASE}");
+    }
+    mcpl_hdr_set_srcname(file_id,line.c_str());
+  }
+
+  write_mcpl_source_bank(file_id, surf_source_bank);
+
+  if (mpi::master) {
+    //change this - this is h5 specific
+    mcpl_closeandgzip_outfile(file_id);
+  }
+
+}
+
+
 void write_source_bank(hid_t group_id, bool surf_source_bank)
 {
   hid_t banktype = h5banktype();
@@ -714,6 +757,88 @@ void write_source_bank(hid_t group_id, bool surf_source_bank)
   H5Tclose(banktype);
 }
 
+void write_mcpl_source_bank(mcpl_outfile_t file_id, bool surf_source_bank)
+{
+  int64_t dims_size = settings::n_particles;
+  int64_t count_size = simulation::work_per_rank;
+
+  // Set vectors for source bank and starting bank index of each process
+  vector<int64_t>* bank_index = &simulation::work_index;
+  vector<SourceSite>* source_bank = &simulation::source_bank;
+  vector<int64_t> surf_source_index_vector;
+  vector<SourceSite> surf_source_bank_vector;
+
+  if(surf_source_bank) {
+    surf_source_index_vector = calculate_surf_source_size();
+    dims_size = surf_source_index_vector[mpi::n_procs];
+    count_size = simulation::surf_source_bank.size();
+
+    bank_index = &surf_source_index_vector;
+
+    // Copy data in a SharedArray into a vector.
+    surf_source_bank_vector.resize(count_size);
+    surf_source_bank_vector.assign(simulation::surf_source_bank.data(),
+      simulation::surf_source_bank.data() + count_size);
+    source_bank = &surf_source_bank_vector;
+  }
+
+  if (mpi::master) {
+    //write particles from the master node
+    //loop over the other nodes and receive data - then write those.
+    for (int i = 0; i < mpi::n_procs; ++i) {
+#ifdef OPENMC_MPI
+      if (i>0)
+        MPI_Recv(source_bank->data(), count[0], mpi::source_site, i, i,
+          mpi::intracomm, MPI_STATUS_IGNORE);
+#endif
+      //now write the source_banke data again.
+      for (vector<SourceSite>::iterator _site=source_bank->begin(); _site!=source_bank->end();_site++){
+        //particle is now at the iterator
+        //write it to the mcpl-file
+        mcpl_particle_t p;
+        p.position[0]=_site->r.x;
+        p.position[1]=_site->r.y;
+        p.position[2]=_site->r.z;
+
+        p.direction[0]=_site->u.x;
+        p.direction[1]=_site->u.y;
+        p.direction[2]=_site->u.x;
+
+        //mcpl stores kinetic energy in MeV
+        p.ekin=_site->E*1e-6;
+
+        p.time=_site->time*1e3;
+
+        p.weight=_site->wgt;
+
+        switch(_site->particle){
+          case ParticleType::neutron:
+            p.pdgcode=2112;
+            break;
+          case ParticleType::photon:
+            p.pdgcode=22;
+            break;
+          case ParticleType::electron:
+            p.pdgcode=11;
+            break;
+          case ParticleType::positron:
+            p.pdgcode=-11;
+            break;
+        }
+
+        mcpl_add_particle(file_id,&p);
+      }
+    }
+  } else {
+#ifdef OPENMC_MPI
+    MPI_Send(source_bank->data(), count_size, mpi::source_site, 0, mpi::rank,
+      mpi::intracomm);
+#endif
+  }
+
+}
+
+
 // Determine member names of a compound HDF5 datatype
 std::string dtype_member_names(hid_t dtype_id)
 {

From d07223bf681e5d6e1d7cbde0dac6f97059a12767 Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erik.knudsen@copenhagenatomics.com>
Date: Tue, 6 Sep 2022 23:06:19 +0200
Subject: [PATCH 0982/2654] add a trigger to simulation control

---
 src/simulation.cpp | 7 +++++++
 1 file changed, 7 insertions(+)

diff --git a/src/simulation.cpp b/src/simulation.cpp
index b70535c33..05c8c0450 100644
--- a/src/simulation.cpp
+++ b/src/simulation.cpp
@@ -406,6 +406,13 @@ void finalize_batch()
     auto filename = settings::path_output + "surface_source.h5";
     write_source_point(filename.c_str(), true);
   }
+
+  if(settings::surf_mcpl_write && simulation::current_batch == settings::n_batches){
+    auto filename = settings::path_output + ".mcpl";
+    write_mcplt_source_point(filename.c_str(), true);
+  }
+
+
 }
 
 void initialize_generation()

From 55f2be19e6c0ef51d7a7946ac15a9f2df51da6da Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erik.knudsen@copenhagenatomics.com>
Date: Fri, 16 Sep 2022 16:07:22 +0200
Subject: [PATCH 0983/2654] refactor MCPL file read part of FileSource

A new constructor is added to FileSource that reads from
a given MCPL-file.
---
 src/source.cpp | 4 ++++
 1 file changed, 4 insertions(+)

diff --git a/src/source.cpp b/src/source.cpp
index 626d02f9d..21522438c 100644
--- a/src/source.cpp
+++ b/src/source.cpp
@@ -426,6 +426,7 @@ MCPLFileSource::MCPLFileSource(std::string path)
 
   read_source_bank(sites_);
 }
+<<<<<<< HEAD
 
 MCPLFileSource::~MCPLFileSource(){
   mcpl_close_file(mcpl_file);
@@ -495,6 +496,9 @@ SourceSite MCPLFileSource::read_single_particle() const
 #endif //OPENMC_MCPL
 =======
 >>>>>>> 380cfc150b449ef56debb5261caa010a52c42bdd
+=======
+#endif
+>>>>>>> 71568d4f4 (refactor MCPL file read part of FileSource)
 
 //==============================================================================
 // Non-member functions

From f0af56b181555f52d05f245240846f4ce8eadcaa Mon Sep 17 00:00:00 2001
From: erkn <erik@vonbrun.org>
Date: Tue, 6 Sep 2022 02:22:21 +0200
Subject: [PATCH 0984/2654] wip add MCPL-out to openmc

code for writing a source_bank/point compiles but is untested
---
 include/openmc/state_point.h |   9 +++
 src/state_point.cpp          | 125 +++++++++++++++++++++++++++++++++++
 2 files changed, 134 insertions(+)

diff --git a/include/openmc/state_point.h b/include/openmc/state_point.h
index 5ada2bf88..2d92c935a 100644
--- a/include/openmc/state_point.h
+++ b/include/openmc/state_point.h
@@ -9,6 +9,10 @@
 #include "openmc/particle.h"
 #include "openmc/vector.h"
 
+#ifdef OPENMC_MCPL
+#include <mcpl.h>
+#endif
+
 namespace openmc {
 
 void load_state_point();
@@ -21,5 +25,10 @@ void write_tally_results_nr(hid_t file_id);
 void restart_set_keff();
 void write_unstructured_mesh_results();
 
+#ifdef OPENMC_MCPL
+void write_mcpl_source_point(const char *filename_, bool surf_source_bank = false);
+void write_mcpl_source_bank(mcpl_outfile_t file_id, bool surf_source_bank);
+#endif
+
 } // namespace openmc
 #endif // OPENMC_STATE_POINT_H
diff --git a/src/state_point.cpp b/src/state_point.cpp
index 9ea045915..babd670a2 100644
--- a/src/state_point.cpp
+++ b/src/state_point.cpp
@@ -28,6 +28,10 @@
 #include "openmc/timer.h"
 #include "openmc/vector.h"
 
+#ifdef OPENMC_MCPL
+#include <mcpl.h>
+#endif
+
 namespace openmc {
 
 extern "C" int openmc_statepoint_write(const char* filename, bool* write_source)
@@ -598,6 +602,45 @@ void write_source_point(const char* filename, bool surf_source_bank)
     file_close(file_id);
 }
 
+void write_mcpl_point(const char *filename, bool surf_source_bank)
+{
+  std::string filename_;
+  if (filename) {
+    filename_ = filename;
+  } else {
+    // Determine width for zero padding
+    int w = std::to_string(settings::n_max_batches).size();
+
+    filename_ = fmt::format("{0}source.{1:0{2}}.mcpl", settings::path_output,
+      simulation::current_batch, w);
+  }
+
+  mcpl_outfile_t file_id;
+
+  std::string line;
+  if (mpi::master) {
+    // this must be rewritten: file_open is h5-specific
+    file_id = mcpl_create_outfile(filename_.c_str());
+    //write_attribute(file_id, "filetype", "source");
+    //write header stuff (oopy in xml-files as binary blobs for instance))
+    if (VERSION_DEV){
+      line=fmt::format("OpenMC {VERSION_MAJOR}.{VERSION_MINOR}.{VERSION_RELEASE}-development");
+    } else {
+      line=fmt::format("OpenMC {VERSION_MAJOR}.{VERSION_MINOR}.{VERSION_RELEASE}");
+    }
+    mcpl_hdr_set_srcname(file_id,line.c_str());
+  }
+
+  write_mcpl_source_bank(file_id, surf_source_bank);
+
+  if (mpi::master) {
+    //change this - this is h5 specific
+    mcpl_closeandgzip_outfile(file_id);
+  }
+
+}
+
+
 void write_source_bank(hid_t group_id, bool surf_source_bank)
 {
   hid_t banktype = h5banktype();
@@ -714,6 +757,88 @@ void write_source_bank(hid_t group_id, bool surf_source_bank)
   H5Tclose(banktype);
 }
 
+void write_mcpl_source_bank(mcpl_outfile_t file_id, bool surf_source_bank)
+{
+  int64_t dims_size = settings::n_particles;
+  int64_t count_size = simulation::work_per_rank;
+
+  // Set vectors for source bank and starting bank index of each process
+  vector<int64_t>* bank_index = &simulation::work_index;
+  vector<SourceSite>* source_bank = &simulation::source_bank;
+  vector<int64_t> surf_source_index_vector;
+  vector<SourceSite> surf_source_bank_vector;
+
+  if(surf_source_bank) {
+    surf_source_index_vector = calculate_surf_source_size();
+    dims_size = surf_source_index_vector[mpi::n_procs];
+    count_size = simulation::surf_source_bank.size();
+
+    bank_index = &surf_source_index_vector;
+
+    // Copy data in a SharedArray into a vector.
+    surf_source_bank_vector.resize(count_size);
+    surf_source_bank_vector.assign(simulation::surf_source_bank.data(),
+      simulation::surf_source_bank.data() + count_size);
+    source_bank = &surf_source_bank_vector;
+  }
+
+  if (mpi::master) {
+    //write particles from the master node
+    //loop over the other nodes and receive data - then write those.
+    for (int i = 0; i < mpi::n_procs; ++i) {
+#ifdef OPENMC_MPI
+      if (i>0)
+        MPI_Recv(source_bank->data(), count[0], mpi::source_site, i, i,
+          mpi::intracomm, MPI_STATUS_IGNORE);
+#endif
+      //now write the source_banke data again.
+      for (vector<SourceSite>::iterator _site=source_bank->begin(); _site!=source_bank->end();_site++){
+        //particle is now at the iterator
+        //write it to the mcpl-file
+        mcpl_particle_t p;
+        p.position[0]=_site->r.x;
+        p.position[1]=_site->r.y;
+        p.position[2]=_site->r.z;
+
+        p.direction[0]=_site->u.x;
+        p.direction[1]=_site->u.y;
+        p.direction[2]=_site->u.x;
+
+        //mcpl stores kinetic energy in MeV
+        p.ekin=_site->E*1e-6;
+
+        p.time=_site->time*1e3;
+
+        p.weight=_site->wgt;
+
+        switch(_site->particle){
+          case ParticleType::neutron:
+            p.pdgcode=2112;
+            break;
+          case ParticleType::photon:
+            p.pdgcode=22;
+            break;
+          case ParticleType::electron:
+            p.pdgcode=11;
+            break;
+          case ParticleType::positron:
+            p.pdgcode=-11;
+            break;
+        }
+
+        mcpl_add_particle(file_id,&p);
+      }
+    }
+  } else {
+#ifdef OPENMC_MPI
+    MPI_Send(source_bank->data(), count_size, mpi::source_site, 0, mpi::rank,
+      mpi::intracomm);
+#endif
+  }
+
+}
+
+
 // Determine member names of a compound HDF5 datatype
 std::string dtype_member_names(hid_t dtype_id)
 {

From 04c8ffc81c7ed7ced0c3525b5ec13f15f8fc079c Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erik.knudsen@copenhagenatomics.com>
Date: Tue, 6 Sep 2022 23:06:19 +0200
Subject: [PATCH 0985/2654] add a trigger to simulation control

---
 src/simulation.cpp | 7 +++++++
 1 file changed, 7 insertions(+)

diff --git a/src/simulation.cpp b/src/simulation.cpp
index b70535c33..05c8c0450 100644
--- a/src/simulation.cpp
+++ b/src/simulation.cpp
@@ -406,6 +406,13 @@ void finalize_batch()
     auto filename = settings::path_output + "surface_source.h5";
     write_source_point(filename.c_str(), true);
   }
+
+  if(settings::surf_mcpl_write && simulation::current_batch == settings::n_batches){
+    auto filename = settings::path_output + ".mcpl";
+    write_mcplt_source_point(filename.c_str(), true);
+  }
+
+
 }
 
 void initialize_generation()

From 53d3cd005f2267793b9489f0f39a5b8843468f67 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Sat, 17 Sep 2022 09:46:33 -0500
Subject: [PATCH 0986/2654] Apply suggestions from @paulromano

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 include/openmc/interpolate.h                    | 9 ++++-----
 tests/regression_tests/filter_energyfun/test.py | 2 +-
 2 files changed, 5 insertions(+), 6 deletions(-)

diff --git a/include/openmc/interpolate.h b/include/openmc/interpolate.h
index 8ccdc5bd7..fd95e96a8 100644
--- a/include/openmc/interpolate.h
+++ b/include/openmc/interpolate.h
@@ -1,4 +1,3 @@
-
 #ifndef OPENMC_INTERPOLATE_H
 #define OPENMC_INTERPOLATE_H
 
@@ -18,20 +17,20 @@ inline double interpolate_lin_lin(
 inline double interpolate_lin_log(
   double x0, double x1, double y0, double y1, double x)
 {
-  return y0 + log(x / x0) / log(x1 / x0) * (y1 - y0);
+  return y0 + std::log(x / x0) / std::log(x1 / x0) * (y1 - y0);
 }
 
 inline double interpolate_log_lin(
   double x0, double x1, double y0, double y1, double x)
 {
-  return y0 * exp((x - x0) / (x1 - x0) * log(y1 / y0));
+  return y0 * std::exp((x - x0) / (x1 - x0) * std::log(y1 / y0));
 }
 
 inline double interpolate_log_log(
   double x0, double x1, double y0, double y1, double x)
 {
-  double f = log(x / x0) / log(x1 / x0);
-  return y0 * exp(f * log(y1 / y0));
+  double f = std::log(x / x0) / std::log(x1 / x0);
+  return y0 * std::exp(f * std::log(y1 / y0));
 }
 
 inline double interpolate_lagrangian(const std::vector<double>& xs,
diff --git a/tests/regression_tests/filter_energyfun/test.py b/tests/regression_tests/filter_energyfun/test.py
index 12144c1fd..44a2c44b0 100644
--- a/tests/regression_tests/filter_energyfun/test.py
+++ b/tests/regression_tests/filter_energyfun/test.py
@@ -42,7 +42,7 @@ def model():
     filt3 = openmc.EnergyFunctionFilter(x, y)
     filt3.interpolation = 'log-log'
 
-    filt4 = openmc.EnergyFunctionFilter(x , y)
+    filt4 = openmc.EnergyFunctionFilter(x, y)
     filt4.interpolation = 'linear-log'
 
     filt5 = openmc.EnergyFunctionFilter(x, y)

From 3c9e359a575741d98278dfd0e5a2c6e12741c870 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Sat, 17 Sep 2022 09:46:00 -0500
Subject: [PATCH 0987/2654] Addressing some comments from @paulromano

---
 include/openmc/constants.h                    |  6 ++--
 include/openmc/interpolate.h                  | 14 +++++---
 openmc/filter.py                              | 32 ++++++++-----------
 src/tallies/filter_energyfunc.cpp             |  4 ++-
 .../regression_tests/filter_energyfun/test.py |  2 +-
 5 files changed, 30 insertions(+), 28 deletions(-)

diff --git a/include/openmc/constants.h b/include/openmc/constants.h
index 32cd8186a..fa2251b84 100644
--- a/include/openmc/constants.h
+++ b/include/openmc/constants.h
@@ -319,8 +319,10 @@ enum class Interpolation {
   lin_log = 3,
   log_lin = 4,
   log_log = 5,
-  quadratic = 6,
-  cubic = 7
+  // skip 6 b/c ENDF-6 reserves this value for
+  // "special one-dimensional interpolation law"
+  quadratic = 7,
+  cubic = 8
 };
 
 enum class RunMode {
diff --git a/include/openmc/interpolate.h b/include/openmc/interpolate.h
index fd95e96a8..33167fa2a 100644
--- a/include/openmc/interpolate.h
+++ b/include/openmc/interpolate.h
@@ -33,10 +33,12 @@ inline double interpolate_log_log(
   return y0 * std::exp(f * std::log(y1 / y0));
 }
 
-inline double interpolate_lagrangian(const std::vector<double>& xs,
-  const std::vector<double>& ys, int idx, double x, int order)
+inline double interpolate_lagrangian(gsl::span<const double> xs,
+  gsl::span<const double> ys, int idx, double x, int order)
 {
-  std::vector<double> coeffs;
+  Expects(order <= 3);
+  std::array<double, 4> coeffs;
+  coeffs.fill(0.0);
 
   for (int i = 0; i < order + 1; i++) {
     double numerator {1.0};
@@ -47,14 +49,14 @@ inline double interpolate_lagrangian(const std::vector<double>& xs,
       numerator *= (x - xs[idx + j]);
       denominator *= (xs[idx + i] - xs[idx + j]);
     }
-    coeffs.push_back(numerator / denominator);
+    coeffs[i] = numerator / denominator;
   }
 
   return std::inner_product(
     coeffs.begin(), coeffs.end(), ys.begin() + idx, 0.0);
 }
 
-double interpolate(const std::vector<double>& xs, const std::vector<double>& ys,
+double interpolate(gsl::span<const double> xs, gsl::span<const double> ys,
   double x, Interpolation i = Interpolation::lin_lin)
 {
   int idx = lower_bound_index(xs.begin(), xs.end(), x);
@@ -63,6 +65,8 @@ double interpolate(const std::vector<double>& xs, const std::vector<double>& ys,
     idx--;
 
   switch (i) {
+  case Interpolation::histogram:
+    return ys[idx];
   case Interpolation::lin_lin:
     return interpolate_lin_lin(xs[idx], xs[idx + 1], ys[idx], ys[idx + 1], x);
   case Interpolation::log_log:
diff --git a/openmc/filter.py b/openmc/filter.py
index 7a85e2d45..254bf5245 100644
--- a/openmc/filter.py
+++ b/openmc/filter.py
@@ -1887,7 +1887,9 @@ class EnergyFunctionFilter(Filter):
     y : iterable of Real
         A grid of interpolant values in [eV]
     interpolation : str
-        The type of interpolation to be used.
+        The type of interpolation to be used. One of
+        ('histogram', 'linear-linear', 'linear-log', 'log-linear',
+        'log-log', 'quadratic', 'cubic')
     id : int
         Unique identifier for the filter
     num_bins : Integral
@@ -1896,9 +1898,12 @@ class EnergyFunctionFilter(Filter):
     """
 
     # keys selected to match those in function.py where possible
-    INTERPOLATION_SCHEMES = {2: 'linear-linear', 3: 'linear-log',
-                             4: 'log-linear', 5: 'log-log',
-                             6 : 'quadratic', 7 : 'cubic'}
+    # skip 6 b/c ENDF-6 reserves this value for
+    # "special one-dimensional interpolation law"
+    INTERPOLATION_SCHEMES = {1: 'histogram', 2: 'linear-linear',
+                             3: 'linear-log', 4: 'log-linear',
+                             5: 'log-log', 7: 'quadratic',
+                             8: 'cubic'}
 
     def __init__(self, energy, y, interpolation='linear-linear', filter_id=None):
         self.energy = energy
@@ -1991,22 +1996,11 @@ class EnergyFunctionFilter(Filter):
         if tab1d.n_regions > 1:
             raise ValueError('Only Tabulated1Ds with a single interpolation '
                              'region are supported')
-        if tab1d.interpolation[0] not in (2, 3, 4, 5):
-            raise ValueError('Only linear-linear, linear-log, log-linear, and '
+        interpolation = tab1d.interpolation[0]
+        if interpolation not in cls.INTERPOLATION_SCHEMES.keys():
+            raise ValueError('Only histogram, linear-linear, linear-log, log-linear, and '
                              'log-log Tabulated1Ds are supported')
-        out = cls(tab1d.x, tab1d.y)
-
-        # set interpolation type
-        if tab1d.interpolation[0] == 2:
-            out.interpolation = 'linear-linear'
-        elif tab1d.interpolation[0] == 3:
-            out.interpolation = 'linear-log'
-        elif tab1d.interpolation[0] == 4:
-            out.interpolation = 'log-linear'
-        elif tab1d.interpolation[0] == 5:
-            out.interpolation = 'log-log'
-
-        return out
+        return cls(tab1d.x, tab1d.y, interpolation)
 
     @property
     def energy(self):
diff --git a/src/tallies/filter_energyfunc.cpp b/src/tallies/filter_energyfunc.cpp
index bf2b2e6cb..e5a6bc9b7 100644
--- a/src/tallies/filter_energyfunc.cpp
+++ b/src/tallies/filter_energyfunc.cpp
@@ -30,7 +30,9 @@ void EnergyFunctionFilter::from_xml(pugi::xml_node node)
   interpolation_ = Interpolation::lin_lin;
   if (check_for_node(node, "interpolation")) {
     std::string interpolation = get_node_value(node, "interpolation");
-    if (interpolation == "linear-linear") {
+    if (interpolation == "histogram") {
+      interpolation_ = Interpolation::histogram;
+    } else if (interpolation == "linear-linear") {
       interpolation_ = Interpolation::lin_lin;
     } else if (interpolation == "linear-log") {
       interpolation_ = Interpolation::lin_log;
diff --git a/tests/regression_tests/filter_energyfun/test.py b/tests/regression_tests/filter_energyfun/test.py
index 44a2c44b0..4a42ce0cb 100644
--- a/tests/regression_tests/filter_energyfun/test.py
+++ b/tests/regression_tests/filter_energyfun/test.py
@@ -31,7 +31,7 @@ def model():
     assert filt1.interpolation == 'linear-linear'
 
     with pytest.raises(ValueError):
-        filt1.interpolation = '5th order polynomial'
+        filt1.interpolation = '🥏'
 
     # Also make a filter with the .from_tabulated1d constructor.  Make sure
     # the filters are identical.

From 848c0f3e0b408e01f14287be2a70283debb76a67 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Sat, 17 Sep 2022 09:50:31 -0500
Subject: [PATCH 0988/2654] Update to eff docstring

---
 openmc/filter.py | 5 ++---
 1 file changed, 2 insertions(+), 3 deletions(-)

diff --git a/openmc/filter.py b/openmc/filter.py
index 254bf5245..326572c4a 100644
--- a/openmc/filter.py
+++ b/openmc/filter.py
@@ -1887,9 +1887,8 @@ class EnergyFunctionFilter(Filter):
     y : iterable of Real
         A grid of interpolant values in [eV]
     interpolation : str
-        The type of interpolation to be used. One of
-        ('histogram', 'linear-linear', 'linear-log', 'log-linear',
-        'log-log', 'quadratic', 'cubic')
+        Interpolation scheme: {'histogram', 'linear-linear', 'linear-log',
+        'log-linear', 'log-log', 'quadratic', 'cubic'}
     id : int
         Unique identifier for the filter
     num_bins : Integral

From f33ea966b21802e206bb46c04c7aa8e45943e01b Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Sat, 17 Sep 2022 11:10:27 -0500
Subject: [PATCH 0989/2654] Compute interpolation value in loop. Correction to
 from_tab1D.

---
 include/openmc/interpolate.h | 9 +++------
 openmc/filter.py             | 6 +++---
 2 files changed, 6 insertions(+), 9 deletions(-)

diff --git a/include/openmc/interpolate.h b/include/openmc/interpolate.h
index 33167fa2a..05353f130 100644
--- a/include/openmc/interpolate.h
+++ b/include/openmc/interpolate.h
@@ -36,9 +36,7 @@ inline double interpolate_log_log(
 inline double interpolate_lagrangian(gsl::span<const double> xs,
   gsl::span<const double> ys, int idx, double x, int order)
 {
-  Expects(order <= 3);
-  std::array<double, 4> coeffs;
-  coeffs.fill(0.0);
+  double output {0.0};
 
   for (int i = 0; i < order + 1; i++) {
     double numerator {1.0};
@@ -49,11 +47,10 @@ inline double interpolate_lagrangian(gsl::span<const double> xs,
       numerator *= (x - xs[idx + j]);
       denominator *= (xs[idx + i] - xs[idx + j]);
     }
-    coeffs[i] = numerator / denominator;
+    output += (numerator / denominator) * ys[i];
   }
 
-  return std::inner_product(
-    coeffs.begin(), coeffs.end(), ys.begin() + idx, 0.0);
+  return output;
 }
 
 double interpolate(gsl::span<const double> xs, gsl::span<const double> ys,
diff --git a/openmc/filter.py b/openmc/filter.py
index 326572c4a..2af5fe5b7 100644
--- a/openmc/filter.py
+++ b/openmc/filter.py
@@ -1995,11 +1995,11 @@ class EnergyFunctionFilter(Filter):
         if tab1d.n_regions > 1:
             raise ValueError('Only Tabulated1Ds with a single interpolation '
                              'region are supported')
-        interpolation = tab1d.interpolation[0]
-        if interpolation not in cls.INTERPOLATION_SCHEMES.keys():
+        interpolation_val = tab1d.interpolation[0]
+        if interpolation_val not in cls.INTERPOLATION_SCHEMES.keys():
             raise ValueError('Only histogram, linear-linear, linear-log, log-linear, and '
                              'log-log Tabulated1Ds are supported')
-        return cls(tab1d.x, tab1d.y, interpolation)
+        return cls(tab1d.x, tab1d.y, cls.INTERPOLATION_SCHEMES[interpolation_val])
 
     @property
     def energy(self):

From 834450066e9926d0441ca027dda8c23eb2798174 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Sat, 17 Sep 2022 11:31:46 -0500
Subject: [PATCH 0990/2654] Adding check of interpolation parameter in eff
 __eq__

---
 openmc/filter.py | 2 ++
 1 file changed, 2 insertions(+)

diff --git a/openmc/filter.py b/openmc/filter.py
index 2af5fe5b7..35a65f4fe 100644
--- a/openmc/filter.py
+++ b/openmc/filter.py
@@ -1913,6 +1913,8 @@ class EnergyFunctionFilter(Filter):
     def __eq__(self, other):
         if type(self) is not type(other):
             return False
+        elif not self.interpolation == other.interpolation:
+            return False
         elif not all(self.energy == other.energy):
             return False
         else:

From 3351918394cad106ce6ca35fa3fc4b53a2389e87 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Sat, 17 Sep 2022 11:32:24 -0500
Subject: [PATCH 0991/2654] Adding a histogram filter test. Testing conversion
 from Tabulated1D for many interpolation types

---
 .../filter_energyfun/inputs_true.dat           | 10 ++++++++++
 .../regression_tests/filter_energyfun/test.py  | 18 +++++++++++++++++-
 2 files changed, 27 insertions(+), 1 deletion(-)

diff --git a/tests/regression_tests/filter_energyfun/inputs_true.dat b/tests/regression_tests/filter_energyfun/inputs_true.dat
index 133b3167f..db7f91ed0 100644
--- a/tests/regression_tests/filter_energyfun/inputs_true.dat
+++ b/tests/regression_tests/filter_energyfun/inputs_true.dat
@@ -54,6 +54,11 @@
     <y>0.2 0.7 0.7 0.2</y>
     <interpolation>cubic</interpolation>
   </filter>
+  <filter id="9" type="energyfunction">
+    <energy>0.0 5000000.0 10000000.0 15000000.0</energy>
+    <y>0.2 0.7 0.7 0.2</y>
+    <interpolation>histogram</interpolation>
+  </filter>
   <tally id="1">
     <nuclides>Am241</nuclides>
     <scores>(n,gamma)</scores>
@@ -93,4 +98,9 @@
     <nuclides>Am241</nuclides>
     <scores>(n,gamma)</scores>
   </tally>
+  <tally id="9">
+    <filters>9</filters>
+    <nuclides>Am241</nuclides>
+    <scores>(n,gamma)</scores>
+  </tally>
 </tallies>
diff --git a/tests/regression_tests/filter_energyfun/test.py b/tests/regression_tests/filter_energyfun/test.py
index 4a42ce0cb..489eec8c0 100644
--- a/tests/regression_tests/filter_energyfun/test.py
+++ b/tests/regression_tests/filter_energyfun/test.py
@@ -28,6 +28,7 @@ def model():
     # Make an EnergyFunctionFilter directly from the x and y lists.
     filt1 = openmc.EnergyFunctionFilter(x, y)
 
+    # check interpolatoin property setter
     assert filt1.interpolation == 'linear-linear'
 
     with pytest.raises(ValueError):
@@ -60,7 +61,10 @@ def model():
     filt8 = openmc.EnergyFunctionFilter(x, y)
     filt8.interpolation = 'cubic'
 
-    filters = [filt1, filt3, filt4, filt5, filt6, filt7, filt8]
+    filt9 = openmc.EnergyFunctionFilter(x, y)
+    filt9.interpolation = 'histogram'
+
+    filters = [filt1, filt3, filt4, filt5, filt6, filt7, filt8, filt9]
     # Make tallies
     tallies = [openmc.Tally() for _ in range(len(filters) + 1)]
     for t in tallies:
@@ -72,6 +76,14 @@ def model():
 
     model.tallies.extend(tallies)
 
+    interpolation_vals = \
+    list(openmc.EnergyFunctionFilter.INTERPOLATION_SCHEMES.keys())
+    for i_val in interpolation_vals:
+        # breakpoint here is fake and unused
+        t1d = openmc.data.Tabulated1D(x, y, breakpoints=[1], interpolation=[i_val])
+        f = openmc.EnergyFunctionFilter.from_tabulated1d(t1d)
+        assert f.interpolation == openmc.EnergyFunctionFilter.INTERPOLATION_SCHEMES[i_val]
+
     return model
 
 
@@ -143,6 +155,10 @@ class FilterEnergyFunHarness(PyAPITestHarness):
         assert all(contrived_lin_lin_tally.mean < contrived_quadratic_tally.mean)
         assert all(contrived_lin_lin_tally.mean < contrived_cubic_tally.mean)
 
+        # check that the histogram tally is less than the quadratic/cubic interpolations
+        histogram_tally = sp.get_tally(id=9)
+        assert all(histogram_tally.mean < contrived_quadratic_tally.mean)
+        assert all(histogram_tally.mean < contrived_cubic_tally.mean)
 
 def test_filter_energyfun(model):
     harness = FilterEnergyFunHarness('statepoint.5.h5', model)

From 8228db6d47d22367eaafbad7ba32e417341c320f Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Sat, 17 Sep 2022 12:05:48 -0500
Subject: [PATCH 0992/2654] Writing interpolation attribute as an attribute of
 the 'y' dataset.

---
 docs/source/io_formats/statepoint.rst | 5 +++--
 openmc/filter.py                      | 7 ++++---
 src/tallies/filter_energyfunc.cpp     | 5 +++--
 3 files changed, 10 insertions(+), 7 deletions(-)

diff --git a/docs/source/io_formats/statepoint.rst b/docs/source/io_formats/statepoint.rst
index 09a531ecd..a05034a2d 100644
--- a/docs/source/io_formats/statepoint.rst
+++ b/docs/source/io_formats/statepoint.rst
@@ -108,8 +108,9 @@ The current version of the statepoint file format is 17.0.
              interpolation. Only used for 'energyfunction' filters.
            - **y** (*double[]*) -- Interpolant values for energyfunction
              interpolation. Only used for 'energyfunction' filters.
-           - **interpolation** (*int*) -- Interpolation type. Only used for
-             'energyfunction' filters.
+
+             :Attributes: - **interpolation** (*int*) -- Interpolation type. Only used for
+                            'energyfunction' filters.
 
 **/tallies/derivatives/derivative <id>/**
 
diff --git a/openmc/filter.py b/openmc/filter.py
index 35a65f4fe..1928f5ddb 100644
--- a/openmc/filter.py
+++ b/openmc/filter.py
@@ -1967,13 +1967,14 @@ class EnergyFunctionFilter(Filter):
                              + group['type'][()].decode() + " instead")
 
         energy = group['energy'][()]
-        y = group['y'][()]
+        y_grp = group['y']
+        y = y_grp[()]
         filter_id = int(group.name.split('/')[-1].lstrip('filter '))
 
         out = cls(energy, y, filter_id=filter_id)
-        if 'interpolation' in group:
+        if 'interpolation' in y_grp.attrs:
             out.interpolation =  \
-                cls.INTERPOLATION_SCHEMES[group['interpolation'][()]]
+                cls.INTERPOLATION_SCHEMES[y_grp.attrs['interpolation'][()]]
 
         return out
 
diff --git a/src/tallies/filter_energyfunc.cpp b/src/tallies/filter_energyfunc.cpp
index e5a6bc9b7..b961105a2 100644
--- a/src/tallies/filter_energyfunc.cpp
+++ b/src/tallies/filter_energyfunc.cpp
@@ -104,8 +104,9 @@ void EnergyFunctionFilter::to_statepoint(hid_t filter_group) const
   Filter::to_statepoint(filter_group);
   write_dataset(filter_group, "energy", energy_);
   write_dataset(filter_group, "y", y_);
-  write_dataset(
-    filter_group, "interpolation", static_cast<int>(interpolation_));
+  hid_t y_dataset = open_dataset(filter_group, "y");
+  write_attribute<int>(y_dataset, "interpolation", static_cast<int>(interpolation_));
+  close_dataset(y_dataset);
 }
 
 std::string EnergyFunctionFilter::text_label(int bin) const

From a6c5dd4d8acccb21c5b5eaafc0a25279f1c7c890 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Sat, 17 Sep 2022 12:06:12 -0500
Subject: [PATCH 0993/2654] Formatting

---
 tests/regression_tests/filter_energyfun/test.py | 8 ++++++--
 1 file changed, 6 insertions(+), 2 deletions(-)

diff --git a/tests/regression_tests/filter_energyfun/test.py b/tests/regression_tests/filter_energyfun/test.py
index 489eec8c0..295b8ebd8 100644
--- a/tests/regression_tests/filter_energyfun/test.py
+++ b/tests/regression_tests/filter_energyfun/test.py
@@ -80,9 +80,13 @@ def model():
     list(openmc.EnergyFunctionFilter.INTERPOLATION_SCHEMES.keys())
     for i_val in interpolation_vals:
         # breakpoint here is fake and unused
-        t1d = openmc.data.Tabulated1D(x, y, breakpoints=[1], interpolation=[i_val])
+        t1d = openmc.data.Tabulated1D(x,
+                                      y,
+                                      breakpoints=[1],
+                                      interpolation=[i_val])
         f = openmc.EnergyFunctionFilter.from_tabulated1d(t1d)
-        assert f.interpolation == openmc.EnergyFunctionFilter.INTERPOLATION_SCHEMES[i_val]
+        assert f.interpolation == \
+        openmc.EnergyFunctionFilter.INTERPOLATION_SCHEMES[i_val]
 
     return model
 

From 46ad8df16508972a599655e12d1f9e7b12a74a42 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 21 Sep 2022 07:06:38 -0500
Subject: [PATCH 0994/2654] Add error message for 'muir' distribution found in
 XML

---
 src/distribution.cpp | 4 ++++
 1 file changed, 4 insertions(+)

diff --git a/src/distribution.cpp b/src/distribution.cpp
index c3e1cc1b3..97dce37c6 100644
--- a/src/distribution.cpp
+++ b/src/distribution.cpp
@@ -368,6 +368,10 @@ UPtrDist distribution_from_xml(pugi::xml_node node)
     dist = UPtrDist {new Tabular(node)};
   } else if (type == "mixture") {
     dist = UPtrDist {new Mixture(node)};
+  } else if (type == "muir") {
+    openmc::fatal_error(
+      "'muir' distribution type is no longer supported. Please regenerate your "
+      "XML files using the Python API.");
   } else {
     openmc::fatal_error("Invalid distribution type: " + type);
   }

From 3645a418615c454a4ee5c7c67f8f5f7cc65ac5fc Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 21 Sep 2022 07:26:27 -0500
Subject: [PATCH 0995/2654] Address @shimwell comments on #2211

---
 openmc/deplete/coupled_operator.py     |  2 +-
 openmc/deplete/independent_operator.py |  5 +++--
 openmc/deplete/microxs.py              | 26 ++++++++++++++++----------
 3 files changed, 20 insertions(+), 13 deletions(-)

diff --git a/openmc/deplete/coupled_operator.py b/openmc/deplete/coupled_operator.py
index 4a7c5c56f..a8c1fa156 100644
--- a/openmc/deplete/coupled_operator.py
+++ b/openmc/deplete/coupled_operator.py
@@ -101,7 +101,7 @@ class CoupledOperator(OpenMCOperator):
     model : openmc.model.Model
         OpenMC model object
     chain_file : str, optional
-        Path to the depletion chain XML file.  Defaults to
+        Path to the depletion chain XML file. Defaults to
         ``openmc.config['chain_file']``.
     prev_results : Results, optional
         Results from a previous depletion calculation. If this argument is
diff --git a/openmc/deplete/independent_operator.py b/openmc/deplete/independent_operator.py
index 200bc195e..2dcdff343 100644
--- a/openmc/deplete/independent_operator.py
+++ b/openmc/deplete/independent_operator.py
@@ -40,7 +40,8 @@ class IndependentOperator(OpenMCOperator):
     micro_xs : MicroXS
         One-group microscopic cross sections in [b] .
     chain_file : str
-        Path to the depletion chain XML file.
+        Path to the depletion chain XML file.  Defaults to
+        ``openmc.config['chain_file']``.
     keff : 2-tuple of float, optional
        keff eigenvalue and uncertainty from transport calculation.
        Default is None.
@@ -111,7 +112,7 @@ class IndependentOperator(OpenMCOperator):
     def __init__(self,
                  materials,
                  micro_xs,
-                 chain_file,
+                 chain_file=None,
                  keff=None,
                  normalization_mode='fission-q',
                  fission_q=None,
diff --git a/openmc/deplete/microxs.py b/openmc/deplete/microxs.py
index 72d87d3b7..7f3a84bf6 100644
--- a/openmc/deplete/microxs.py
+++ b/openmc/deplete/microxs.py
@@ -5,18 +5,16 @@ nuclide names as row indices and reaction names as column indices.
 """
 
 import tempfile
-from pathlib import Path
 from copy import deepcopy
 
-from pandas import DataFrame, read_csv, concat
+from pandas import DataFrame, read_csv
 import numpy as np
 
 from openmc.checkvalue import check_type, check_value, check_iterable_type
+from openmc.exceptions import DataError
 from openmc.mgxs import EnergyGroups, ArbitraryXS, FissionXS
-from openmc.data import DataLibrary
-from openmc import Tallies, StatePoint, Materials, Material
-
-
+from openmc import Tallies, StatePoint, Materials
+import openmc
 from .chain import Chain, REACTIONS
 from .coupled_operator import _find_cross_sections, _get_nuclides_with_data
 
@@ -35,7 +33,7 @@ class MicroXS(DataFrame):
     def from_model(cls,
                    model,
                    reaction_domain,
-                   chain_file,
+                   chain_file=None,
                    dilute_initial=1.0e3,
                    energy_bounds=(0, 20e6),
                    run_kwargs=None):
@@ -48,11 +46,12 @@ class MicroXS(DataFrame):
             OpenMC model object. Must contain geometry, materials, and settings.
         reaction_domain : openmc.Material or openmc.Cell or openmc.Universe or openmc.RegularMesh
             Domain in which to tally reaction rates.
-        chain_file : str
+        chain_file : str, optional
             Path to the depletion chain XML file that will be used in depletion
             simulation. Used to determine cross sections for materials not
-            present in the inital composition.
-        dilute_initial : float
+            present in the inital composition. Defaults to
+            ``openmc.config['chain_file']``.
+        dilute_initial : float, optional
             Initial atom density [atoms/cm^3] to add for nuclides that
             are zero in initial condition to ensure they exist in the cross
             section data. Only done for nuclides with reaction rates.
@@ -144,6 +143,13 @@ class MicroXS(DataFrame):
             :class:`openmc.Materials` object with nuclides added to burnable
             materials.
         """
+        if chain_file is None:
+            chain_file = openmc.config.get('chain_file')
+            if chain_file is None:
+                raise DataError(
+                    "No depletion chain specified and could not find depletion "
+                    "chain in openmc.config['chain_file']"
+                )
         chain = Chain.from_xml(chain_file)
         reactions = chain.reactions
         cross_sections = _find_cross_sections(model)

From cf278af2810a0c99053ab4cb38c3370ba3fc9297 Mon Sep 17 00:00:00 2001
From: Gavin Ridley <gavin.keith.ridley@gmail.com>
Date: Wed, 21 Sep 2022 12:07:42 -0400
Subject: [PATCH 0996/2654] helpful error message for excessive energy spectrum
 rejection rate

---
 src/source.cpp | 17 +++++++++++++----
 1 file changed, 13 insertions(+), 4 deletions(-)

diff --git a/src/source.cpp b/src/source.cpp
index 3716720df..efc9e4598 100644
--- a/src/source.cpp
+++ b/src/source.cpp
@@ -201,14 +201,12 @@ SourceSite IndependentSource::sample(uint64_t* seed) const
       if (n_reject >= EXTSRC_REJECT_THRESHOLD &&
           static_cast<double>(n_accept) / n_reject <= EXTSRC_REJECT_FRACTION) {
         fatal_error("More than 95% of external source sites sampled were "
-                    "rejected. Please check your external source definition.");
+                    "rejected. Please check your external source's spatial "
+                    "definition.");
       }
     }
   }
 
-  // Increment number of accepted samples
-  ++n_accept;
-
   // Sample angle
   site.u = angle_->sample(seed);
 
@@ -233,11 +231,22 @@ SourceSite IndependentSource::sample(uint64_t* seed) const
     // Resample if energy falls outside minimum or maximum particle energy
     if (site.E < data::energy_max[p] && site.E > data::energy_min[p])
       break;
+
+    n_reject++;
+    if (n_reject >= EXTSRC_REJECT_THRESHOLD &&
+        static_cast<double>(n_accept) / n_reject <= EXTSRC_REJECT_FRACTION) {
+      fatal_error("More than 95% of external source sites sampled were "
+                  "rejected. Please check your external source energy spectrum "
+                  "definition.");
+    }
   }
 
   // Sample particle creation time
   site.time = time_->sample(seed);
 
+  // Increment number of accepted samples
+  ++n_accept;
+
   return site;
 }
 

From 43ff0a28218138dce71a5c5eb307bdbc84658df2 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 21 Sep 2022 11:54:25 -0500
Subject: [PATCH 0997/2654] Update error message for 'muir' distributions in
 C++

---
 src/distribution.cpp | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/src/distribution.cpp b/src/distribution.cpp
index 97dce37c6..6bf51df6a 100644
--- a/src/distribution.cpp
+++ b/src/distribution.cpp
@@ -370,8 +370,8 @@ UPtrDist distribution_from_xml(pugi::xml_node node)
     dist = UPtrDist {new Mixture(node)};
   } else if (type == "muir") {
     openmc::fatal_error(
-      "'muir' distribution type is no longer supported. Please regenerate your "
-      "XML files using the Python API.");
+      "'muir' distributions are now specified using the openmc.stats.muir() "
+      "function in Python. Please regenerate your XML files.");
   } else {
     openmc::fatal_error("Invalid distribution type: " + type);
   }

From 61a0458d4c27d7e9bdb54abb012c6c0fb54c51a9 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 22 Sep 2022 10:46:55 -0500
Subject: [PATCH 0998/2654] Include interpolation types in params docstr

---
 openmc/filter.py | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/openmc/filter.py b/openmc/filter.py
index 1928f5ddb..d83b9f6ba 100644
--- a/openmc/filter.py
+++ b/openmc/filter.py
@@ -1876,7 +1876,8 @@ class EnergyFunctionFilter(Filter):
     y : iterable of Real
         A grid of interpolant values in [eV]
     interpolation : str
-        The type of interpolation to be used.
+        Interpolation scheme: {'histogram', 'linear-linear', 'linear-log',
+        'log-linear', 'log-log', 'quadratic', 'cubic'}
     filter_id : int
         Unique identifier for the filter
 

From 607be496bce599032ca74bb15b8c2adb312de7b6 Mon Sep 17 00:00:00 2001
From: Jose Ignacio Marquez Damian <marquezj@cab.cnea.gov.ar>
Date: Thu, 22 Sep 2022 14:58:52 -0300
Subject: [PATCH 0999/2654] Fix elastic distribution

Elastic distributions were created but not used
---
 openmc/data/thermal.py | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/openmc/data/thermal.py b/openmc/data/thermal.py
index 3d5f2df64..7e66b6319 100644
--- a/openmc/data/thermal.py
+++ b/openmc/data/thermal.py
@@ -730,10 +730,10 @@ class ThermalScattering(EqualityMixin):
 
             if ace.nxs[5] == 3:
                 xs = incoherent_xs
-                dist = incoherent_dist
+                distribution = incoherent_dist
             elif ace.nxs[5] == 4:
                 xs = coherent_xs
-                dist = coherent_dist
+                distribution = coherent_dist
             else:
                 # Create mixed cross section -- note that coherent must come
                 # first due to assumption on C++ side

From 96753f9af0101d94aa4c3b2e9de9c86d639bf5dd Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 22 Sep 2022 23:31:43 -0500
Subject: [PATCH 1000/2654] Fix reading source file with time attribute. Closes
 #2223

---
 src/state_point.cpp                  |  1 +
 tests/unit_tests/test_source_file.py | 22 ++++++++++++++++++++++
 2 files changed, 23 insertions(+)

diff --git a/src/state_point.cpp b/src/state_point.cpp
index 648d1a249..470dd7718 100644
--- a/src/state_point.cpp
+++ b/src/state_point.cpp
@@ -527,6 +527,7 @@ hid_t h5banktype()
   H5Tinsert(banktype, "r", HOFFSET(SourceSite, r), postype);
   H5Tinsert(banktype, "u", HOFFSET(SourceSite, u), postype);
   H5Tinsert(banktype, "E", HOFFSET(SourceSite, E), H5T_NATIVE_DOUBLE);
+  H5Tinsert(banktype, "time", HOFFSET(SourceSite, time), H5T_NATIVE_DOUBLE);
   H5Tinsert(banktype, "wgt", HOFFSET(SourceSite, wgt), H5T_NATIVE_DOUBLE);
   H5Tinsert(banktype, "delayed_group", HOFFSET(SourceSite, delayed_group),
     H5T_NATIVE_INT);
diff --git a/tests/unit_tests/test_source_file.py b/tests/unit_tests/test_source_file.py
index 1398088e5..78115a1f6 100644
--- a/tests/unit_tests/test_source_file.py
+++ b/tests/unit_tests/test_source_file.py
@@ -75,3 +75,25 @@ def test_wrong_source_attributes(run_in_tmpdir):
     with pytest.raises(RuntimeError) as excinfo:
         openmc.run()
     assert 'platypus, axolotl, narwhal' in str(excinfo.value)
+
+
+def test_source_file_transport(run_in_tmpdir):
+    # Create a source file with a single particle
+    particle = openmc.SourceParticle()
+    openmc.write_source_file([particle], 'source.h5')
+
+    # Created simple model to use source file
+    model = openmc.Model()
+    al = openmc.Material()
+    al.add_element('Al', 1.0)
+    al.set_density('g/cm3', 2.7)
+    sph = openmc.Sphere(r=10.0, boundary_type='vacuum')
+    cell = openmc.Cell(fill=al, region=-sph)
+    model.geometry = openmc.Geometry([cell])
+    model.settings.source = openmc.Source(filename='source.h5')
+    model.settings.particles = 10
+    model.settings.batches = 3
+    model.settings.run_mode = 'fixed source'
+
+    # Try running OpenMC
+    model.run()

From b2270d4aefdaea4f3a2b564742a1a76f2e2e7812 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 23 Sep 2022 08:43:48 -0500
Subject: [PATCH 1001/2654] Update reference surface source for regression test

---
 .../surface_source/surface_source_true.h5     | Bin 106088 -> 106144 bytes
 1 file changed, 0 insertions(+), 0 deletions(-)

diff --git a/tests/regression_tests/surface_source/surface_source_true.h5 b/tests/regression_tests/surface_source/surface_source_true.h5
index 2ea48b2ac16fa4acb1275d48ab3ef28c2136af37..c26afee8671dba0b729d6959614a6856166bd37a 100644
GIT binary patch
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From 3891cef4f14bbe88292f6df61fef749423c7dba3 Mon Sep 17 00:00:00 2001
From: shimwell <mail@jshimwell.com>
Date: Sat, 24 Sep 2022 20:09:01 +0100
Subject: [PATCH 1002/2654] added ability to find material names in DAG

---
 openmc/universe.py                    | 30 +++++++++++++++++++++++++++
 tests/unit_tests/dagmc/test_bounds.py |  9 ++++++++
 2 files changed, 39 insertions(+)

diff --git a/openmc/universe.py b/openmc/universe.py
index 0e60974c0..16a251dee 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -699,6 +699,36 @@ class DAGMCUniverse(UniverseBase):
     def auto_mat_ids(self):
         return self._auto_mat_ids
 
+    @property
+    def material_names(self):
+        """Return the names of the materials that are contained within the
+         DAGMC h5m file. This is useful when naming openmc.Material() objects
+         as each material name present in the DAGMC h5m file must have a
+         matching openmc.Material() with the same name.
+
+        Returns
+        -------
+        materials : List[str]
+            Sorted list of material names present in the DAGMC h5m file
+
+        """
+
+        dagmc_file_contents = h5py.File(self.filename)
+        material_tags_hex=dagmc_file_contents['/tstt/tags/NAME'].get('values')
+        material_tags_ascii=[]
+        for tag in material_tags_hex:
+            raw_tag=  np.array2string(tag)
+            tag_in_hex=raw_tag.replace("\\x00", '').replace("\\x", '')
+            tag_in_hex =tag_in_hex.lstrip("b'").rstrip("'")
+            candidate_tag = bytes.fromhex(tag_in_hex).decode()
+            # tags might be for temperature or reflective surfaces
+            if candidate_tag.startswith('mat:'):
+                # removes first 4 characters as openmc.Material name should be
+                # set without the 'mat:' part of the tag
+                material_tags_ascii.append(candidate_tag[4:])
+
+        return sorted(set(material_tags_ascii))
+
     @auto_mat_ids.setter
     def auto_mat_ids(self, val):
         cv.check_type('DAGMC automatic material ids', val, bool)
diff --git a/tests/unit_tests/dagmc/test_bounds.py b/tests/unit_tests/dagmc/test_bounds.py
index dbca3ca25..d2458195a 100644
--- a/tests/unit_tests/dagmc/test_bounds.py
+++ b/tests/unit_tests/dagmc/test_bounds.py
@@ -71,3 +71,12 @@ def test_bounded_universe(request):
     surfaces = list(cells[0][1].region.get_surfaces().items())
     assert surfaces[0][1].type == "sphere"
     assert surfaces[0][1].id == 43
+
+
+def test_material_names(request):
+    """Checks that the DAGMCUniverse.material_names() returns a list of the
+    name present in the dagmc.h5m file in the expected order"""
+
+    u = openmc.DAGMCUniverse(Path(request.fspath).parent / "dagmc.h5m")
+
+    assert u.material_names == ['41', 'Graveyard', 'no-void fuel']

From 67e983218dbd040f8d9cbfd6d11188e56f504dda Mon Sep 17 00:00:00 2001
From: Olek <45364492+yardasol@users.noreply.github.com>
Date: Sat, 24 Sep 2022 17:07:08 -0500
Subject: [PATCH 1003/2654] let thermal table name be None as default

---
 scripts/openmc-ace-to-hdf5 | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/scripts/openmc-ace-to-hdf5 b/scripts/openmc-ace-to-hdf5
index d7eb488f7..75948e012 100755
--- a/scripts/openmc-ace-to-hdf5
+++ b/scripts/openmc-ace-to-hdf5
@@ -92,7 +92,7 @@ def ace_to_hdf5(destination, xsdir, xsdata, libraries, metastable, libver):
                 # Add data for new temperature
                 try:
                     print(f"Converting {table.name} (ACE) to {data.name} (HDF5)")
-                    data.add_temperature_from_ace(table, metastable)
+                    data.add_temperature_from_ace(table)
                 except Exception as e:
                     print(f"Failed to convert {table.name}: {e}")
                     continue

From 06312b0535bbc0d46464a77039aa0ad483c9db21 Mon Sep 17 00:00:00 2001
From: myerspat <myerspat@umich.edu>
Date: Sun, 25 Sep 2022 22:05:22 -0400
Subject: [PATCH 1004/2654] Refactored CSGCell to use Region

---
 include/openmc/cell.h |  90 +++--
 src/cell.cpp          | 872 ++++++++++++++++++++++--------------------
 src/geometry.cpp      |   2 +-
 src/geometry_aux.cpp  |   5 +-
 src/universe.cpp      |  36 +-
 5 files changed, 523 insertions(+), 482 deletions(-)

diff --git a/include/openmc/cell.h b/include/openmc/cell.h
index fcce520fe..0891c062f 100644
--- a/include/openmc/cell.h
+++ b/include/openmc/cell.h
@@ -53,33 +53,46 @@ extern vector<unique_ptr<Cell>> cells;
 
 //==============================================================================
 
-// TODO: Maybe not, just move this inline to Region::bounding_box() for complex
-// case
-class RegionPostfix {
-public:
-  BoundingBox bounding_box() const;
-};
-
 class Region {
 public:
+  //----------------------------------------------------------------------------
+  // Constructors
   Region() {}
-  explicit Region(std::string region_expression);
+  explicit Region(std::string region_expressioni, int32_t cell_id);
 
-  void add_precedence();
-  std::string str() const;
-  BoundingBox bounding_box() const;
+  //----------------------------------------------------------------------------
+  // Methods
+  std::pair<double, int32_t> distance(
+    Position r, Direction u, int32_t on_surface, Particle* p) const;
   bool contains(Position r, Direction u, int32_t on_surface) const;
+  BoundingBox bounding_box(int32_t cell_id) const;
+  std::string str() const;
+  vector<int32_t> surfaces() const;
 
-  RegionPostfix to_postfix() const;
+  //----------------------------------------------------------------------------
+  // Accessors
+  bool is_simple() const { return simple_; }
 
 private:
-  void add_parentheses();
+  //----------------------------------------------------------------------------
+  // Private Methods
+  vector<int32_t> generate_postfix(int32_t cell_id) const;
+  bool contains_simple(Position r, Direction u, int32_t on_surface) const;
+  bool contains_complex(Position r, Direction u, int32_t on_surface) const;
+  BoundingBox bounding_box_simple() const;
+  BoundingBox bounding_box_complex(vector<int32_t> postfix) const;
+  void add_precedence();
+  std::vector<int32_t>::iterator add_parentheses(
+    std::vector<int32_t>::iterator start);
+  void remove_complement_ops();
   void apply_demorgan(
     vector<int32_t>::iterator start, vector<int32_t>::iterator stop);
 
+  //----------------------------------------------------------------------------
+  // Private Data
   //! Definition of spatial region as Boolean expression of half-spaces
   // TODO: Should this be a vector of some other type
-  vector<int32_t> tokens_;
+  vector<int32_t> expression_;
   bool simple_; //!< Does the region contain only intersections?
 };
 
@@ -141,6 +154,12 @@ public:
   //! Get the BoundingBox for this cell.
   virtual BoundingBox bounding_box() const = 0;
 
+  //! Get a vector of surfaces in the cell
+  virtual vector<int32_t> surfaces() const = 0;
+
+  //! Check if the cell region expression is simple
+  virtual bool is_simple() const = 0;
+
   //----------------------------------------------------------------------------
   // Accessors
 
@@ -231,10 +250,6 @@ public:
   //! T. The units are sqrt(eV).
   vector<double> sqrtkT_;
 
-  // TODO: Probably move this guy to CSGCell
-  //! Definition of spatial region as Boolean expression of half-spaces
-  Region region_;
-
   //! \brief Neighboring cells in the same universe.
   NeighborList neighbors_;
 
@@ -260,35 +275,36 @@ struct CellInstanceItem {
 
 class CSGCell : public Cell {
 public:
+  //----------------------------------------------------------------------------
+  // Constructors
   CSGCell();
-
   explicit CSGCell(pugi::xml_node cell_node);
 
-  bool contains(Position r, Direction u, int32_t on_surface) const override;
+  //----------------------------------------------------------------------------
+  // Methods
+  vector<int32_t> surfaces() const override { return region_.surfaces(); }
 
   std::pair<double, int32_t> distance(
-    Position r, Direction u, int32_t on_surface, Particle* p) const override;
+    Position r, Direction u, int32_t on_surface, Particle* p) const override
+  {
+    return region_.distance(r, u, on_surface, p);
+  }
+
+  bool contains(Position r, Direction u, int32_t on_surface) const override
+  {
+    return region_.contains(r, u, on_surface);
+  }
+
+  BoundingBox bounding_box() const override
+  {
+    return region_.bounding_box(id_);
+  }
 
   void to_hdf5_inner(hid_t group_id) const override;
 
-  BoundingBox bounding_box() const override;
+  bool is_simple() const override { return region_.is_simple(); }
 
 protected:
-  bool contains_simple(Position r, Direction u, int32_t on_surface) const;
-  bool contains_complex(Position r, Direction u, int32_t on_surface) const;
-  BoundingBox bounding_box_simple() const;
-  static BoundingBox bounding_box_complex(vector<int32_t> postfix);
-
-  //! Applies DeMorgan's laws to a section of the RPN
-  //! \param start Starting point for token modification
-  //! \param stop Stopping point for token modification
-  static void apply_demorgan(
-    vector<int32_t>::iterator start, vector<int32_t>::iterator stop);
-
-  //! Removes complement operators from the RPN
-  //! \param rpn The rpn to remove complement operators from.
-  static void remove_complement_ops(vector<int32_t>& rpn);
-
   //! Returns the beginning position of a parenthesis block (immediately before
   //! two surface tokens) in the RPN given a starting position at the end of
   //! that block (immediately after two surface tokens)
diff --git a/src/cell.cpp b/src/cell.cpp
index 4eb0fa0b9..dc38a567e 100644
--- a/src/cell.cpp
+++ b/src/cell.cpp
@@ -36,243 +36,6 @@ vector<unique_ptr<Cell>> cells;
 
 } // namespace model
 
-//==============================================================================
-//! Convert region specification string to integer tokens.
-//!
-//! The characters (, ), |, and ~ count as separate tokens since they represent
-//! operators.
-//==============================================================================
-
-// TODO: Move this to be Region::Region(...)
-vector<int32_t> tokenize(const std::string region_spec)
-{
-  // Check for an empty region_spec first.
-  vector<int32_t> tokens;
-  if (region_spec.empty()) {
-    return tokens;
-  }
-
-  // Parse all halfspaces and operators except for intersection (whitespace).
-  for (int i = 0; i < region_spec.size();) {
-    if (region_spec[i] == '(') {
-      tokens.push_back(OP_LEFT_PAREN);
-      i++;
-
-    } else if (region_spec[i] == ')') {
-      tokens.push_back(OP_RIGHT_PAREN);
-      i++;
-
-    } else if (region_spec[i] == '|') {
-      tokens.push_back(OP_UNION);
-      i++;
-
-    } else if (region_spec[i] == '~') {
-      tokens.push_back(OP_COMPLEMENT);
-      i++;
-
-    } else if (region_spec[i] == '-' || region_spec[i] == '+' ||
-               std::isdigit(region_spec[i])) {
-      // This is the start of a halfspace specification.  Iterate j until we
-      // find the end, then push-back everything between i and j.
-      int j = i + 1;
-      while (j < region_spec.size() && std::isdigit(region_spec[j])) {
-        j++;
-      }
-      tokens.push_back(std::stoi(region_spec.substr(i, j - i)));
-      i = j;
-
-    } else if (std::isspace(region_spec[i])) {
-      i++;
-
-    } else {
-      auto err_msg =
-        fmt::format("Region specification contains invalid character, \"{}\"",
-          region_spec[i]);
-      fatal_error(err_msg);
-    }
-  }
-
-  // Add in intersection operators where a missing operator is needed.
-  int i = 0;
-  while (i < tokens.size() - 1) {
-    bool left_compat {(tokens[i] < OP_UNION) || (tokens[i] == OP_RIGHT_PAREN)};
-    bool right_compat {(tokens[i + 1] < OP_UNION) ||
-                       (tokens[i + 1] == OP_LEFT_PAREN) ||
-                       (tokens[i + 1] == OP_COMPLEMENT)};
-    if (left_compat && right_compat) {
-      tokens.insert(tokens.begin() + i + 1, OP_INTERSECTION);
-    }
-    i++;
-  }
-
-  return tokens;
-}
-
-//==============================================================================
-//! Add precedence for infix regions so intersections have higher
-//! precedence than unions using parentheses.
-//==============================================================================
-
-std::vector<int32_t>::iterator add_parentheses(
-  std::vector<int32_t>::iterator start, std::vector<int32_t>& infix)
-{
-  int32_t start_token = *start;
-  // Add left parenthesis
-  if (start_token == OP_INTERSECTION) {
-    start = infix.insert(start - 1, OP_LEFT_PAREN);
-  } else {
-    start = infix.insert(start + 1, OP_LEFT_PAREN);
-  }
-  start++;
-
-  // Initialize return iterator
-  auto return_iterator = infix.begin();
-
-  // Add right parenthesis
-  // While the start iterator is within the bounds of infix
-  while (start < infix.end()) {
-    start++;
-
-    // If the current token is an operator and is different than the start token
-    if (*start >= OP_UNION && *start != start_token) {
-      // Skip wrapped regions but save iterator position to check precedence and
-      // add right parenthesis, right parenthesis position depends on the
-      // operator, when the operator is a union then do not include the operator
-      // in the region, when the operator is an intersection then include the
-      // operato and next surface
-      if (*start == OP_LEFT_PAREN) {
-        return_iterator = start;
-        int depth = 1;
-        do {
-          start++;
-          if (*start > OP_COMPLEMENT) {
-            if (*start == OP_RIGHT_PAREN) {
-              depth--;
-            } else {
-              depth++;
-            }
-          }
-        } while (depth > 0);
-      } else {
-        start = infix.insert(
-          start_token == OP_UNION ? start - 1 : start, OP_RIGHT_PAREN);
-        if (return_iterator == infix.begin()) {
-          return_iterator = start - 1;
-        }
-        return return_iterator;
-      }
-    }
-  }
-  // If we get here a right parenthesis hasn't been placed,
-  // return iterator
-  infix.push_back(OP_RIGHT_PAREN);
-  if (return_iterator == infix.begin()) {
-    return_iterator = start - 1;
-  }
-  return return_iterator;
-}
-
-void add_precedence(std::vector<int32_t>& infix)
-{
-  int32_t current_op = 0;
-
-  for (auto it = infix.begin(); it != infix.end(); it++) {
-    int32_t token = *it;
-
-    if (token == OP_UNION || token == OP_INTERSECTION) {
-      if (current_op == 0) {
-        // Set the current operator if is hasn't been set
-        current_op = token;
-      } else if (token != current_op) {
-        // If the current operator doesn't match the token, add parenthesis to
-        // assert precedence
-        it = add_parentheses(it, infix);
-        current_op = 0;
-      }
-    } else if (token > OP_COMPLEMENT) {
-      // If the token is a parenthesis reset the current operator
-      current_op = 0;
-    }
-  }
-}
-
-//==============================================================================
-//! Convert infix region specification to Reverse Polish Notation (RPN)
-//!
-//! This function uses the shunting-yard algorithm.
-//==============================================================================
-
-vector<int32_t> generate_postfix(int32_t cell_id, vector<int32_t> infix)
-{
-  vector<int32_t> rpn;
-  vector<int32_t> stack;
-
-  for (int32_t token : infix) {
-    if (token < OP_UNION) {
-      // If token is not an operator, add it to output
-      rpn.push_back(token);
-    } else if (token < OP_RIGHT_PAREN) {
-      // Regular operators union, intersection, complement
-      while (stack.size() > 0) {
-        int32_t op = stack.back();
-
-        if (op < OP_RIGHT_PAREN && ((token == OP_COMPLEMENT && token < op) ||
-                                     (token != OP_COMPLEMENT && token <= op))) {
-          // While there is an operator, op, on top of the stack, if the token
-          // is left-associative and its precedence is less than or equal to
-          // that of op or if the token is right-associative and its precedence
-          // is less than that of op, move op to the output queue and push the
-          // token on to the stack. Note that only complement is
-          // right-associative.
-          rpn.push_back(op);
-          stack.pop_back();
-        } else {
-          break;
-        }
-      }
-
-      stack.push_back(token);
-
-    } else if (token == OP_LEFT_PAREN) {
-      // If the token is a left parenthesis, push it onto the stack
-      stack.push_back(token);
-
-    } else {
-      // If the token is a right parenthesis, move operators from the stack to
-      // the output queue until reaching the left parenthesis.
-      for (auto it = stack.rbegin(); *it != OP_LEFT_PAREN; it++) {
-        // If we run out of operators without finding a left parenthesis, it
-        // means there are mismatched parentheses.
-        if (it == stack.rend()) {
-          fatal_error(fmt::format(
-            "Mismatched parentheses in region specification for cell {}",
-            cell_id));
-        }
-        rpn.push_back(stack.back());
-        stack.pop_back();
-      }
-
-      // Pop the left parenthesis.
-      stack.pop_back();
-    }
-  }
-
-  while (stack.size() > 0) {
-    int32_t op = stack.back();
-
-    // If the operator is a parenthesis it is mismatched.
-    if (op >= OP_RIGHT_PAREN) {
-      fatal_error(fmt::format(
-        "Mismatched parentheses in region specification for cell {}", cell_id));
-    }
-
-    rpn.push_back(stack.back());
-    stack.pop_back();
-  }
-
-  return rpn;
-}
-
 //==============================================================================
 // Cell implementation
 //==============================================================================
@@ -588,44 +351,8 @@ CSGCell::CSGCell(pugi::xml_node cell_node)
 
   // Get a tokenized representation of the region specification and apply De
   // Morgans law
-  region_ = Region(region_spec);
-  remove_complement_ops(region_);
-
-  // Convert user IDs to surface indices.
-  for (auto& r : region_) {
-    if (r < OP_UNION) {
-      const auto& it {model::surface_map.find(abs(r))};
-      if (it == model::surface_map.end()) {
-        throw std::runtime_error {
-          "Invalid surface ID " + std::to_string(abs(r)) +
-          " specified in region for cell " + std::to_string(id_) + "."};
-      }
-      r = (r > 0) ? it->second + 1 : -(it->second + 1);
-    }
-  }
-
-  // Check if this is a simple cell.
-  simple_ = true;
-  for (int32_t token : region_) {
-    if (token == OP_UNION) {
-      simple_ = false;
-      // Ensure intersections have precedence over unions
-      add_precedence(region_);
-      break;
-    }
-  }
-  region_.shrink_to_fit();
-
-  // If this cell is simple, remove all the superfluous operator tokens.
-  if (simple_) {
-    for (auto it = region_.begin(); it != region_.end(); it++) {
-      if (*it == OP_INTERSECTION || *it > OP_COMPLEMENT) {
-        region_.erase(it);
-        it--;
-      }
-    }
-    region_.shrink_to_fit();
-  }
+  Region region(region_spec, id_);
+  region_ = region;
 
   // Read the translation vector.
   if (check_for_node(cell_node, "translation")) {
@@ -652,99 +379,13 @@ CSGCell::CSGCell(pugi::xml_node cell_node)
 
 //==============================================================================
 
-bool CSGCell::contains(Position r, Direction u, int32_t on_surface) const
-{
-  if (simple_) {
-    return contains_simple(r, u, on_surface);
-  } else {
-    return contains_complex(r, u, on_surface);
-  }
-}
-
-//==============================================================================
-
-std::pair<double, int32_t> CSGCell::distance(
-  Position r, Direction u, int32_t on_surface, Particle* p) const
-{
-  double min_dist {INFTY};
-  int32_t i_surf {std::numeric_limits<int32_t>::max()};
-
-  for (int32_t token : region_) {
-    // Ignore this token if it corresponds to an operator rather than a region.
-    if (token >= OP_UNION)
-      continue;
-
-    // Calculate the distance to this surface.
-    // Note the off-by-one indexing
-    bool coincident {std::abs(token) == std::abs(on_surface)};
-    double d {model::surfaces[abs(token) - 1]->distance(r, u, coincident)};
-
-    // Check if this distance is the new minimum.
-    if (d < min_dist) {
-      if (min_dist - d >= FP_PRECISION * min_dist) {
-        min_dist = d;
-        i_surf = -token;
-      }
-    }
-  }
-
-  return {min_dist, i_surf};
-}
-
-//==============================================================================
-
 void CSGCell::to_hdf5_inner(hid_t group_id) const
 {
-
   write_string(group_id, "geom_type", "csg", false);
-
-  // TODO: Move to Region::str()
-  // Write the region specification.
-  if (!region_.empty()) {
-    std::stringstream region_spec {};
-    for (int32_t token : region_) {
-      if (token == OP_LEFT_PAREN) {
-        region_spec << " (";
-      } else if (token == OP_RIGHT_PAREN) {
-        region_spec << " )";
-      } else if (token == OP_COMPLEMENT) {
-        region_spec << " ~";
-      } else if (token == OP_INTERSECTION) {
-      } else if (token == OP_UNION) {
-        region_spec << " |";
-      } else {
-        // Note the off-by-one indexing
-        auto surf_id = model::surfaces[abs(token) - 1]->id_;
-        region_spec << " " << ((token > 0) ? surf_id : -surf_id);
-      }
-    }
-    write_string(group_id, "region", region_spec.str(), false);
-  }
+  write_string(group_id, "region", region_.str(), false);
 }
 
-BoundingBox CSGCell::bounding_box_simple() const
-{
-  BoundingBox bbox;
-  for (int32_t token : region_) {
-    bbox &= model::surfaces[abs(token) - 1]->bounding_box(token > 0);
-  }
-  return bbox;
-}
-
-void CSGCell::apply_demorgan(
-  vector<int32_t>::iterator start, vector<int32_t>::iterator stop)
-{
-  do {
-    if (*start < OP_UNION) {
-      *start *= -1;
-    } else if (*start == OP_UNION) {
-      *start = OP_INTERSECTION;
-    } else if (*start == OP_INTERSECTION) {
-      *start = OP_UNION;
-    }
-    start++;
-  } while (start < stop);
-}
+//==============================================================================
 
 vector<int32_t>::iterator CSGCell::find_left_parenthesis(
   vector<int32_t>::iterator start, const vector<int32_t>& infix)
@@ -779,75 +420,395 @@ vector<int32_t>::iterator CSGCell::find_left_parenthesis(
   return it;
 }
 
-void CSGCell::remove_complement_ops(vector<int32_t>& infix)
-{
-  auto it = std::find(infix.begin(), infix.end(), OP_COMPLEMENT);
-  while (it != infix.end()) {
-    // Erase complement
-    infix.erase(it);
+//==============================================================================
+// Region implementation
+//==============================================================================
 
-    // Define stop given left parenthesis or not
-    auto stop = it;
-    if (*it == OP_LEFT_PAREN) {
-      int depth = 1;
-      do {
-        stop++;
-        if (*stop > OP_COMPLEMENT) {
-          if (*stop == OP_RIGHT_PAREN) {
-            depth--;
-          } else {
-            depth++;
-          }
+Region::Region(std::string region_spec, int32_t cell_id)
+{
+  // Check if region_spec is not empty.
+  if (!region_spec.empty()) {
+    // Parse all halfspaces and operators except for intersection (whitespace).
+    for (int i = 0; i < region_spec.size();) {
+      if (region_spec[i] == '(') {
+        expression_.push_back(OP_LEFT_PAREN);
+        i++;
+
+      } else if (region_spec[i] == ')') {
+        expression_.push_back(OP_RIGHT_PAREN);
+        i++;
+
+      } else if (region_spec[i] == '|') {
+        expression_.push_back(OP_UNION);
+        i++;
+
+      } else if (region_spec[i] == '~') {
+        expression_.push_back(OP_COMPLEMENT);
+        i++;
+
+      } else if (region_spec[i] == '-' || region_spec[i] == '+' ||
+                 std::isdigit(region_spec[i])) {
+        // This is the start of a halfspace specification.  Iterate j until we
+        // find the end, then push-back everything between i and j.
+        int j = i + 1;
+        while (j < region_spec.size() && std::isdigit(region_spec[j])) {
+          j++;
         }
-      } while (depth > 0);
-      it++;
+        expression_.push_back(std::stoi(region_spec.substr(i, j - i)));
+        i = j;
+
+      } else if (std::isspace(region_spec[i])) {
+        i++;
+
+      } else {
+        auto err_msg =
+          fmt::format("Region specification contains invalid character, \"{}\"",
+            region_spec[i]);
+        fatal_error(err_msg);
+      }
     }
 
-    // apply DeMorgan's law to any surfaces/operators between these
-    // positions in the RPN
-    apply_demorgan(it, stop);
-    // update iterator position
-    it = std::find(infix.begin(), infix.end(), OP_COMPLEMENT);
-  }
-}
-
-BoundingBox CSGCell::bounding_box_complex(vector<int32_t> postfix)
-{
-  vector<BoundingBox> stack(postfix.size());
-  int i_stack = -1;
-
-  for (auto& token : postfix) {
-    if (token == OP_UNION) {
-      stack[i_stack - 1] = stack[i_stack - 1] | stack[i_stack];
-      i_stack--;
-    } else if (token == OP_INTERSECTION) {
-      stack[i_stack - 1] = stack[i_stack - 1] & stack[i_stack];
-      i_stack--;
-    } else {
-      i_stack++;
-      stack[i_stack] = model::surfaces[abs(token) - 1]->bounding_box(token > 0);
+    // Add in intersection operators where a missing operator is needed.
+    int i = 0;
+    while (i < expression_.size() - 1) {
+      bool left_compat {
+        (expression_[i] < OP_UNION) || (expression_[i] == OP_RIGHT_PAREN)};
+      bool right_compat {(expression_[i + 1] < OP_UNION) ||
+                         (expression_[i + 1] == OP_LEFT_PAREN) ||
+                         (expression_[i + 1] == OP_COMPLEMENT)};
+      if (left_compat && right_compat) {
+        expression_.insert(expression_.begin() + i + 1, OP_INTERSECTION);
+      }
+      i++;
     }
-  }
 
-  Ensures(i_stack == 0);
-  return stack.front();
-}
+    // Remove complement operators using DeMorgan's laws
+    auto it = std::find(expression_.begin(), expression_.end(), OP_COMPLEMENT);
+    while (it != expression_.end()) {
+      // Erase complement
+      expression_.erase(it);
+
+      // Define stop given left parenthesis or not
+      auto stop = it;
+      if (*it == OP_LEFT_PAREN) {
+        int depth = 1;
+        do {
+          stop++;
+          if (*stop > OP_COMPLEMENT) {
+            if (*stop == OP_RIGHT_PAREN) {
+              depth--;
+            } else {
+              depth++;
+            }
+          }
+        } while (depth > 0);
+        it++;
+      }
+
+      // apply DeMorgan's law to any surfaces/operators between these
+      // positions in the RPN
+      apply_demorgan(it, stop);
+      // update iterator position
+      it = std::find(expression_.begin(), expression_.end(), OP_COMPLEMENT);
+    }
+
+    // Convert user IDs to surface indices.
+    for (auto& r : expression_) {
+      if (r < OP_UNION) {
+        const auto& it {model::surface_map.find(abs(r))};
+        if (it == model::surface_map.end()) {
+          throw std::runtime_error {
+            "Invalid surface ID " + std::to_string(abs(r)) +
+            " specified in region for cell " + std::to_string(cell_id) + "."};
+        }
+        r = (r > 0) ? it->second + 1 : -(it->second + 1);
+      }
+    }
+
+    // Check if this is a simple cell.
+    simple_ = true;
+    for (int32_t token : expression_) {
+      if (token == OP_UNION) {
+        simple_ = false;
+        // Ensure intersections have precedence over unions
+        add_precedence();
+        break;
+      }
+    }
+
+    // If this cell is simple, remove all the superfluous operator tokens.
+    if (simple_) {
+      for (auto it = expression_.begin(); it != expression_.end(); it++) {
+        if (*it == OP_INTERSECTION || *it > OP_COMPLEMENT) {
+          expression_.erase(it);
+          it--;
+        }
+      }
+    }
+    expression_.shrink_to_fit();
 
-BoundingBox CSGCell::bounding_box() const
-{
-  if (simple_) {
-    return bounding_box_simple();
   } else {
-    auto postfix = generate_postfix(this->id_, this->region_);
-    return bounding_box_complex(postfix);
+    simple_ = true;
   }
 }
 
 //==============================================================================
 
-bool CSGCell::contains_simple(Position r, Direction u, int32_t on_surface) const
+void Region::apply_demorgan(
+  vector<int32_t>::iterator start, vector<int32_t>::iterator stop)
 {
-  for (int32_t token : region_) {
+  do {
+    if (*start < OP_UNION) {
+      *start *= -1;
+    } else if (*start == OP_UNION) {
+      *start = OP_INTERSECTION;
+    } else if (*start == OP_INTERSECTION) {
+      *start = OP_UNION;
+    }
+    start++;
+  } while (start < stop);
+}
+
+//==============================================================================
+//! Add precedence for infix regions so intersections have higher
+//! precedence than unions using parentheses.
+//==============================================================================
+
+std::vector<int32_t>::iterator Region::add_parentheses(
+  std::vector<int32_t>::iterator start)
+{
+  int32_t start_token = *start;
+  // Add left parenthesis
+  if (start_token == OP_INTERSECTION) {
+    start = expression_.insert(start - 1, OP_LEFT_PAREN);
+  } else {
+    start = expression_.insert(start + 1, OP_LEFT_PAREN);
+  }
+  start++;
+
+  // Initialize return iterator
+  auto return_iterator = expression_.begin();
+
+  // Add right parenthesis
+  // While the start iterator is within the bounds of infix
+  while (start < expression_.end()) {
+    start++;
+
+    // If the current token is an operator and is different than the start token
+    if (*start >= OP_UNION && *start != start_token) {
+      // Skip wrapped regions but save iterator position to check precedence and
+      // add right parenthesis, right parenthesis position depends on the
+      // operator, when the operator is a union then do not include the operator
+      // in the region, when the operator is an intersection then include the
+      // operato and next surface
+      if (*start == OP_LEFT_PAREN) {
+        return_iterator = start;
+        int depth = 1;
+        do {
+          start++;
+          if (*start > OP_COMPLEMENT) {
+            if (*start == OP_RIGHT_PAREN) {
+              depth--;
+            } else {
+              depth++;
+            }
+          }
+        } while (depth > 0);
+      } else {
+        start = expression_.insert(
+          start_token == OP_UNION ? start - 1 : start, OP_RIGHT_PAREN);
+        if (return_iterator == expression_.begin()) {
+          return_iterator = start - 1;
+        }
+        return return_iterator;
+      }
+    }
+  }
+  // If we get here a right parenthesis hasn't been placed,
+  // return iterator
+  expression_.push_back(OP_RIGHT_PAREN);
+  if (return_iterator == expression_.begin()) {
+    return_iterator = start - 1;
+  }
+  return return_iterator;
+}
+
+//==============================================================================
+
+void Region::add_precedence()
+{
+  int32_t current_op = 0;
+
+  for (auto it = expression_.begin(); it != expression_.end(); it++) {
+    int32_t token = *it;
+
+    if (token == OP_UNION || token == OP_INTERSECTION) {
+      if (current_op == 0) {
+        // Set the current operator if is hasn't been set
+        current_op = token;
+      } else if (token != current_op) {
+        // If the current operator doesn't match the token, add parenthesis to
+        // assert precedence
+        it = add_parentheses(it);
+        current_op = 0;
+      }
+    } else if (token > OP_COMPLEMENT) {
+      // If the token is a parenthesis reset the current operator
+      current_op = 0;
+    }
+  }
+}
+
+//==============================================================================
+//! Convert infix region specification to Reverse Polish Notation (RPN)
+//!
+//! This function uses the shunting-yard algorithm.
+//==============================================================================
+
+vector<int32_t> Region::generate_postfix(int32_t cell_id) const
+{
+  vector<int32_t> rpn;
+  vector<int32_t> stack;
+
+  for (int32_t token : expression_) {
+    if (token < OP_UNION) {
+      // If token is not an operator, add it to output
+      rpn.push_back(token);
+    } else if (token < OP_RIGHT_PAREN) {
+      // Regular operators union, intersection, complement
+      while (stack.size() > 0) {
+        int32_t op = stack.back();
+
+        if (op < OP_RIGHT_PAREN && ((token == OP_COMPLEMENT && token < op) ||
+                                     (token != OP_COMPLEMENT && token <= op))) {
+          // While there is an operator, op, on top of the stack, if the token
+          // is left-associative and its precedence is less than or equal to
+          // that of op or if the token is right-associative and its precedence
+          // is less than that of op, move op to the output queue and push the
+          // token on to the stack. Note that only complement is
+          // right-associative.
+          rpn.push_back(op);
+          stack.pop_back();
+        } else {
+          break;
+        }
+      }
+
+      stack.push_back(token);
+
+    } else if (token == OP_LEFT_PAREN) {
+      // If the token is a left parenthesis, push it onto the stack
+      stack.push_back(token);
+
+    } else {
+      // If the token is a right parenthesis, move operators from the stack to
+      // the output queue until reaching the left parenthesis.
+      for (auto it = stack.rbegin(); *it != OP_LEFT_PAREN; it++) {
+        // If we run out of operators without finding a left parenthesis, it
+        // means there are mismatched parentheses.
+        if (it == stack.rend()) {
+          fatal_error(fmt::format(
+            "Mismatched parentheses in region specification for cell {}",
+            cell_id));
+        }
+        rpn.push_back(stack.back());
+        stack.pop_back();
+      }
+
+      // Pop the left parenthesis.
+      stack.pop_back();
+    }
+  }
+
+  while (stack.size() > 0) {
+    int32_t op = stack.back();
+
+    // If the operator is a parenthesis it is mismatched.
+    if (op >= OP_RIGHT_PAREN) {
+      fatal_error(fmt::format(
+        "Mismatched parentheses in region specification for cell {}", cell_id));
+    }
+
+    rpn.push_back(stack.back());
+    stack.pop_back();
+  }
+
+  return rpn;
+}
+
+//==============================================================================
+
+std::string Region::str() const
+{
+  std::stringstream region_spec {};
+  if (!expression_.empty()) {
+    for (int32_t token : expression_) {
+      if (token == OP_LEFT_PAREN) {
+        region_spec << " (";
+      } else if (token == OP_RIGHT_PAREN) {
+        region_spec << " )";
+      } else if (token == OP_COMPLEMENT) {
+        region_spec << " ~";
+      } else if (token == OP_INTERSECTION) {
+      } else if (token == OP_UNION) {
+        region_spec << " |";
+      } else {
+        // Note the off-by-one indexing
+        auto surf_id = model::surfaces[abs(token) - 1]->id_;
+        region_spec << " " << ((token > 0) ? surf_id : -surf_id);
+      }
+    }
+  }
+  return region_spec.str();
+}
+
+//==============================================================================
+
+std::pair<double, int32_t> Region::distance(
+  Position r, Direction u, int32_t on_surface, Particle* p) const
+{
+  double min_dist {INFTY};
+  int32_t i_surf {std::numeric_limits<int32_t>::max()};
+
+
+  for (int32_t token : expression_) {
+    // Ignore this token if it corresponds to an operator rather than a region.
+    if (token >= OP_UNION)
+      continue;
+
+    // Calculate the distance to this surface.
+    // Note the off-by-one indexing
+    bool coincident {std::abs(token) == std::abs(on_surface)};
+    double d {model::surfaces[abs(token) - 1]->distance(r, u, coincident)};
+
+    // Check if this distance is the new minimum.
+    if (d < min_dist) {
+      if (min_dist - d >= FP_PRECISION * min_dist) {
+        min_dist = d;
+        i_surf = -token;
+      }
+    }
+  }
+
+  return {min_dist, i_surf};
+}
+
+//==============================================================================
+
+bool Region::contains(Position r, Direction u, int32_t on_surface) const
+{
+  if (simple_) {
+    return contains_simple(r, u, on_surface);
+  } else {
+    return contains_complex(r, u, on_surface);
+  }
+}
+
+//==============================================================================
+
+bool Region::contains_simple(Position r, Direction u, int32_t on_surface) const
+{
+  for (int32_t token : expression_) {
     // Assume that no tokens are operators. Evaluate the sense of particle with
     // respect to the surface and see if the token matches the sense. If the
     // particle's surface attribute is set and matches the token, that
@@ -868,14 +829,13 @@ bool CSGCell::contains_simple(Position r, Direction u, int32_t on_surface) const
 
 //==============================================================================
 
-bool CSGCell::contains_complex(
-  Position r, Direction u, int32_t on_surface) const
+bool Region::contains_complex(Position r, Direction u, int32_t on_surface) const
 {
   bool in_cell = true;
   int total_depth = 0;
 
   // For each token
-  for (auto it = region_.begin(); it != region_.end(); it++) {
+  for (auto it = expression_.begin(); it != expression_.end(); it++) {
     int32_t token = *it;
 
     // If the token is a surface evaluate the sense
@@ -926,6 +886,76 @@ bool CSGCell::contains_complex(
   return in_cell;
 }
 
+//==============================================================================
+
+BoundingBox Region::bounding_box(int32_t cell_id) const
+{
+  if (simple_) {
+    return bounding_box_simple();
+  } else {
+    auto postfix = generate_postfix(cell_id);
+    return bounding_box_complex(postfix);
+  }
+}
+
+//==============================================================================
+
+BoundingBox Region::bounding_box_simple() const
+{
+  BoundingBox bbox;
+  for (int32_t token : expression_) {
+    bbox &= model::surfaces[abs(token) - 1]->bounding_box(token > 0);
+  }
+  return bbox;
+}
+
+//==============================================================================
+
+BoundingBox Region::bounding_box_complex(vector<int32_t> postfix) const
+{
+  vector<BoundingBox> stack(postfix.size());
+  int i_stack = -1;
+
+  for (auto& token : postfix) {
+    if (token == OP_UNION) {
+      stack[i_stack - 1] = stack[i_stack - 1] | stack[i_stack];
+      i_stack--;
+    } else if (token == OP_INTERSECTION) {
+      stack[i_stack - 1] = stack[i_stack - 1] & stack[i_stack];
+      i_stack--;
+    } else {
+      i_stack++;
+      stack[i_stack] = model::surfaces[abs(token) - 1]->bounding_box(token > 0);
+    }
+  }
+
+  Ensures(i_stack == 0);
+  return stack.front();
+}
+
+//==============================================================================
+
+vector<int32_t> Region::surfaces() const
+{
+  if (simple_) {
+    return expression_;
+  }
+
+  vector<int32_t> surfaces = expression_;
+
+  auto it = std::find_if(surfaces.begin(), surfaces.end(), 
+    [&](const auto& value) { return value >= OP_UNION; });
+
+  while (it != surfaces.end()) {
+    surfaces.erase(it);
+
+    it = std::find_if(surfaces.begin(), surfaces.end(), 
+      [&](const auto& value) { return value >= OP_UNION; });
+  }
+
+  return surfaces;
+}
+
 //==============================================================================
 // Non-method functions
 //==============================================================================
diff --git a/src/geometry.cpp b/src/geometry.cpp
index 216650ff1..29ca8b1bf 100644
--- a/src/geometry.cpp
+++ b/src/geometry.cpp
@@ -425,7 +425,7 @@ BoundaryInfo distance_to_boundary(Particle& p)
         // positive half-space were given in the region specification. Thus, we
         // have to explicitly check which half-space the particle would be
         // traveling into if the surface is crossed
-        if (c.simple_) {
+        if (c.is_simple()) {
           info.surface_index = level_surf_cross;
         } else {
           Position r_hit = r + d_surf * u;
diff --git a/src/geometry_aux.cpp b/src/geometry_aux.cpp
index c3458d469..261471984 100644
--- a/src/geometry_aux.cpp
+++ b/src/geometry_aux.cpp
@@ -154,9 +154,8 @@ void partition_universes()
       // Collect the set of surfaces in this universe.
       std::unordered_set<int32_t> surf_inds;
       for (auto i_cell : univ->cells_) {
-        for (auto token : model::cells[i_cell]->region_) {
-          if (token < OP_UNION)
-            surf_inds.insert(std::abs(token) - 1);
+        for (auto token : model::cells[i_cell]->surfaces()) {
+          surf_inds.insert(std::abs(token) - 1);
         }
       }
 
diff --git a/src/universe.cpp b/src/universe.cpp
index 873d03bb7..f8f9a82d8 100644
--- a/src/universe.cpp
+++ b/src/universe.cpp
@@ -98,13 +98,11 @@ UniversePartitioner::UniversePartitioner(const Universe& univ)
   // Find all of the z-planes in this universe.  A set is used here for the
   // O(log(n)) insertions that will ensure entries are not repeated.
   for (auto i_cell : univ.cells_) {
-    for (auto token : model::cells[i_cell]->region_) {
-      if (token < OP_UNION) {
-        auto i_surf = std::abs(token) - 1;
-        const auto* surf = model::surfaces[i_surf].get();
-        if (const auto* zplane = dynamic_cast<const SurfaceZPlane*>(surf))
-          surf_set.insert(i_surf);
-      }
+    for (auto token : model::cells[i_cell]->surfaces()) {
+      auto i_surf = std::abs(token) - 1;
+      const auto* surf = model::surfaces[i_surf].get();
+      if (const auto* zplane = dynamic_cast<const SurfaceZPlane*>(surf))
+        surf_set.insert(i_surf);
     }
   }
 
@@ -116,7 +114,7 @@ UniversePartitioner::UniversePartitioner(const Universe& univ)
   for (auto i_cell : univ.cells_) {
     // It is difficult to determine the bounds of a complex cell, so add complex
     // cells to all partitions.
-    if (!model::cells[i_cell]->simple_) {
+    if (!model::cells[i_cell]->is_simple()) {
       for (auto& p : partitions_)
         p.push_back(i_cell);
       continue;
@@ -125,18 +123,16 @@ UniversePartitioner::UniversePartitioner(const Universe& univ)
     // Find the tokens for bounding z-planes.
     int32_t lower_token = 0, upper_token = 0;
     double min_z, max_z;
-    for (auto token : model::cells[i_cell]->region_) {
-      if (token < OP_UNION) {
-        const auto* surf = model::surfaces[std::abs(token) - 1].get();
-        if (const auto* zplane = dynamic_cast<const SurfaceZPlane*>(surf)) {
-          if (lower_token == 0 || zplane->z0_ < min_z) {
-            lower_token = token;
-            min_z = zplane->z0_;
-          }
-          if (upper_token == 0 || zplane->z0_ > max_z) {
-            upper_token = token;
-            max_z = zplane->z0_;
-          }
+    for (auto token : model::cells[i_cell]->surfaces()) {
+      const auto* surf = model::surfaces[std::abs(token) - 1].get();
+      if (const auto* zplane = dynamic_cast<const SurfaceZPlane*>(surf)) {
+        if (lower_token == 0 || zplane->z0_ < min_z) {
+          lower_token = token;
+          min_z = zplane->z0_;
+        }
+        if (upper_token == 0 || zplane->z0_ > max_z) {
+          upper_token = token;
+          max_z = zplane->z0_;
         }
       }
     }

From 27f2cb1b5ea4f5ada5a77de3e3d9312f4bfb421d Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <drshimwell@gmail.com>
Date: Mon, 26 Sep 2022 08:45:44 +0100
Subject: [PATCH 1005/2654] @pshriwise review suggestions

Co-authored-by: Patrick Shriwise <pshriwise@gmail.com>
---
 openmc/universe.py | 7 ++-----
 1 file changed, 2 insertions(+), 5 deletions(-)

diff --git a/openmc/universe.py b/openmc/universe.py
index 16a251dee..34618a70a 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -708,7 +708,7 @@ class DAGMCUniverse(UniverseBase):
 
         Returns
         -------
-        materials : List[str]
+        materials : list of str
             Sorted list of material names present in the DAGMC h5m file
 
         """
@@ -717,10 +717,7 @@ class DAGMCUniverse(UniverseBase):
         material_tags_hex=dagmc_file_contents['/tstt/tags/NAME'].get('values')
         material_tags_ascii=[]
         for tag in material_tags_hex:
-            raw_tag=  np.array2string(tag)
-            tag_in_hex=raw_tag.replace("\\x00", '').replace("\\x", '')
-            tag_in_hex =tag_in_hex.lstrip("b'").rstrip("'")
-            candidate_tag = bytes.fromhex(tag_in_hex).decode()
+            candidate_tag = tag.tobytes().decode().replace('\x00', '')
             # tags might be for temperature or reflective surfaces
             if candidate_tag.startswith('mat:'):
                 # removes first 4 characters as openmc.Material name should be

From e63b4376628e978610c08081721974cd0b4ae90a Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Mon, 26 Sep 2022 16:11:53 +0100
Subject: [PATCH 1006/2654] added from domain to CylindricalMesh

---
 openmc/mesh.py                            | 60 +++++++++++++++++++++++
 tests/unit_tests/test_mesh_from_domain.py | 40 +++++++++++++--
 2 files changed, 96 insertions(+), 4 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index a4c50a608..a64a2f8dd 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -1137,6 +1137,66 @@ class CylindricalMesh(StructuredMesh):
 
         return mesh
 
+    @classmethod
+    def from_domain(
+        cls,
+        domain,
+        dimension=[100, 100, 100],
+        mesh_id=None,
+        name=''
+    ):
+        """Create mesh from an existing openmc cell, region, universe or
+        geometry by making use of the objects bounding box property. phi_grid
+        is set to have a range of 0 to 2π by default.
+
+        Parameters
+        ----------
+        domain : {openmc.Cell, openmc.Region, openmc.Universe, openmc.Geometry}
+            The object passed in will be used as a template for this mesh. The
+            bounding box of the property of the object passed will be used to
+            set the The r_grid, z_grid ranges.
+        dimension : Iterable of int
+            The number of equally spaced mesh cells in each direction (r_grid,
+            phi_grid, z_grid)
+        mesh_id : int
+            Unique identifier for the mesh
+        name : str
+            Name of the mesh
+
+        Returns
+        -------
+        openmc.RegularMesh
+            RegularMesh instance
+
+        """
+        cv.check_type(
+            "domain",
+            domain,
+            (openmc.Cell, openmc.Region, openmc.Universe, openmc.Geometry),
+        )
+
+        mesh = cls(mesh_id, name)
+
+        # loaded once to avoid reading h5m file repeatedly
+        cached_bb = domain.bounding_box
+        max_bounding_box_radius = max(
+            [
+                cached_bb[0][0],
+                cached_bb[0][1],
+                cached_bb[1][0],
+                cached_bb[1][1],
+            ]
+        )
+        mesh.r_grid = np.linspace(0, max_bounding_box_radius, num=dimension[0]+1)
+        mesh.phi_grid = np.linspace(0, 2*np.pi, num=dimension[1]+1)
+        mesh.z_grid = np.linspace(
+            cached_bb[0][2],
+            cached_bb[1][2],
+            num=dimension[2]+1
+        )
+
+        return mesh
+
     def to_xml_element(self):
         """Return XML representation of the mesh
 
diff --git a/tests/unit_tests/test_mesh_from_domain.py b/tests/unit_tests/test_mesh_from_domain.py
index ce27288ad..64b9424b9 100644
--- a/tests/unit_tests/test_mesh_from_domain.py
+++ b/tests/unit_tests/test_mesh_from_domain.py
@@ -16,6 +16,22 @@ def test_reg_mesh_from_cell():
     assert np.array_equal(mesh.upper_right, cell.bounding_box[1])
 
 
+def test_cylindrical_mesh_from_cell():
+    """Tests a CylindricalMesh can be made from a Cell and the specified
+    dimensions are propagated through. Cell is not centralized"""
+    cy_surface = openmc. openmc.ZCylinder(r=50)
+    z_surface_1 = openmc. openmc.ZPlane(z0=30)
+    z_surface_2 = openmc. openmc.ZPlane(z0=0)
+    cell = openmc.Cell(region=-cy_surface & -z_surface_1 & +z_surface_2)
+    mesh = openmc.CylindricalMesh.from_domain(cell, dimension=[2, 4, 3])
+
+    assert isinstance(mesh, openmc.CylindricalMesh)
+    assert np.array_equal(mesh.dimension, (2, 4, 3))
+    assert np.array_equal(mesh.r_grid, [0., 25., 50.])
+    assert np.array_equal(mesh.phi_grid, [0., 0.5*np.pi, np.pi, 1.5*np.pi, 2.*np.pi])
+    assert np.array_equal(mesh.z_grid, [0., 10., 20., 30.])
+
+
 def test_reg_mesh_from_region():
     """Tests a RegularMesh can be made from a Region and the default dimensions
     are propagated through. Region is not centralized"""
@@ -29,9 +45,25 @@ def test_reg_mesh_from_region():
     assert np.array_equal(mesh.upper_right, region.bounding_box[1])
 
 
+def test_cylindrical_mesh_from_region():
+    """Tests a CylindricalMesh can be made from a Region and the specified
+    dimensions are propagated through. Cell is centralized"""
+    cy_surface = openmc. openmc.ZCylinder(r=6)
+    z_surface_1 = openmc. openmc.ZPlane(z0=30)
+    z_surface_2 = openmc. openmc.ZPlane(z0=-30)
+    cell = openmc.Cell(region=-cy_surface & -z_surface_1 & +z_surface_2)
+    mesh = openmc.CylindricalMesh.from_domain(cell, dimension=[6, 2, 3])
+
+    assert isinstance(mesh, openmc.CylindricalMesh)
+    assert np.array_equal(mesh.dimension, (6, 2, 3))
+    assert np.array_equal(mesh.r_grid, [0., 1., 2., 3., 4., 5., 6.])
+    assert np.array_equal(mesh.phi_grid, [0., np.pi, 2.*np.pi])
+    assert np.array_equal(mesh.z_grid, [-30., -10., 10., 30.])
+
+
 def test_reg_mesh_from_universe():
-    """Tests a RegularMesh can be made from a Universe and the default dimensions
-    are propagated through. Universe is centralized"""
+    """Tests a RegularMesh can be made from a Universe and the default
+    dimensions are propagated through. Universe is centralized"""
     surface = openmc.Sphere(r=42)
     cell = openmc.Cell(region=-surface)
     universe = openmc.Universe(cells=[cell])
@@ -44,8 +76,8 @@ def test_reg_mesh_from_universe():
 
 
 def test_reg_mesh_from_geometry():
-    """Tests a RegularMesh can be made from a Geometry and the default dimensions
-    are propagated through. Geometry is centralized"""
+    """Tests a RegularMesh can be made from a Geometry and the default
+    dimensions are propagated through. Geometry is centralized"""
     surface = openmc.Sphere(r=42)
     cell = openmc.Cell(region=-surface)
     universe = openmc.Universe(cells=[cell])

From 4e5d9bf5963fb8a857057fdacb16af7a5e0ecce1 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Mon, 26 Sep 2022 16:17:48 +0100
Subject: [PATCH 1007/2654] fixed typo

---
 openmc/mesh.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index a64a2f8dd..0dc390ebe 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -1154,7 +1154,7 @@ class CylindricalMesh(StructuredMesh):
         domain : {openmc.Cell, openmc.Region, openmc.Universe, openmc.Geometry}
             The object passed in will be used as a template for this mesh. The
             bounding box of the property of the object passed will be used to
-            set the The r_grid, z_grid ranges.
+            set the r_grid, z_grid ranges.
         dimension : Iterable of int
             The number of equally spaced mesh cells in each direction (r_grid,
             phi_grid, z_grid)

From 1395b50d49099b8b011c9cb097e51e237c4699e3 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 31 Aug 2022 14:52:51 -0500
Subject: [PATCH 1008/2654] Store decay sources on openmc.deplete.Nuclide

---
 openmc/deplete/chain.py   |  2 ++
 openmc/deplete/nuclide.py | 26 ++++++++++++++++++++++++++
 2 files changed, 28 insertions(+)

diff --git a/openmc/deplete/chain.py b/openmc/deplete/chain.py
index 217c9cac0..ce376a181 100644
--- a/openmc/deplete/chain.py
+++ b/openmc/deplete/chain.py
@@ -420,6 +420,8 @@ class Chain:
                     # Append decay mode
                     nuclide.add_decay_mode(type_, target, br)
 
+                nuclide.sources = data.sources
+
             fissionable = False
             if parent in reactions:
                 reactions_available = set(reactions[parent].keys())
diff --git a/openmc/deplete/nuclide.py b/openmc/deplete/nuclide.py
index 04e0c26c5..250861985 100644
--- a/openmc/deplete/nuclide.py
+++ b/openmc/deplete/nuclide.py
@@ -16,6 +16,7 @@ except ImportError:
 import numpy as np
 
 from openmc.checkvalue import check_type
+from openmc.stats import Univariate
 
 __all__ = [
     "DecayTuple", "ReactionTuple", "Nuclide", "FissionYield",
@@ -101,6 +102,9 @@ class Nuclide:
     reactions : list of openmc.deplete.ReactionTuple
         Reaction information. Each element of the list is a named tuple with
         attribute 'type', 'target', 'Q', and 'branching_ratio'.
+    sources : dict
+        Dictionary mapping particle type as string to energy distribution of
+        decay source represented as :class:`openmc.stats.Univariate`
     yield_data : FissionYieldDistribution or None
         Fission product yields at tabulated energies for this nuclide. Can be
         treated as a nested dictionary ``{energy: {product: yield}}``
@@ -120,6 +124,9 @@ class Nuclide:
         # Reaction paths
         self.reactions = []
 
+        # Decay sources
+        self.sources = {}
+
         # Neutron fission yields, if present
         self._yield_data = None
 
@@ -237,6 +244,12 @@ class Nuclide:
             branching_ratio = float(decay_elem.get('branching_ratio'))
             nuc.decay_modes.append(DecayTuple(d_type, target, branching_ratio))
 
+        # Check for sources
+        for src_elem in element.iter('source'):
+            particle = src_elem.get('particle')
+            distribution = Univariate.from_xml_element(src_elem)
+            nuc.sources[particle] = distribution
+
         # Check for reaction paths
         for reaction_elem in element.iter('reaction'):
             r_type = reaction_elem.get('type')
@@ -302,6 +315,19 @@ class Nuclide:
                     mode_elem.set('target', daughter)
                 mode_elem.set('branching_ratio', str(br))
 
+        # Write decay sources
+        if self.sources:
+            for particle, source in self.sources.items():
+                # TODO: Ugly hack to deal with the fact that
+                # 'source.to_xml_element' will return an xml.etree object
+                # whereas here lxml is being used preferentially. We should just
+                # switch to use lxml everywhere,
+                import xml.etree.ElementTree as etree
+                src_elem_xmletree = source.to_xml_element('source')
+                src_elem = ET.fromstring(etree.tostring(src_elem_xmletree))
+                src_elem.set('particle', particle)
+                elem.append(src_elem)
+
         elem.set('reactions', str(len(self.reactions)))
         for rx, daughter, Q, br in self.reactions:
             rx_elem = ET.SubElement(elem, 'reaction')

From a917fd94c15bde5fddff8a72f74e5f2ada17f882 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Mon, 18 Jul 2022 14:47:37 -0500
Subject: [PATCH 1009/2654] Add decay_photon_source property on Material

---
 openmc/data/decay.py | 43 ++++++++++++++++++++++++++++++++++++++++++-
 openmc/material.py   | 12 ++++++++++++
 2 files changed, 54 insertions(+), 1 deletion(-)

diff --git a/openmc/data/decay.py b/openmc/data/decay.py
index 2c2505bf5..c372b72e4 100644
--- a/openmc/data/decay.py
+++ b/openmc/data/decay.py
@@ -1,15 +1,19 @@
 from collections.abc import Iterable
 from io import StringIO
 from math import log
+from pathlib import Path
 import re
 from warnings import warn
+from xml.etree import ElementTree as ET
 
 import numpy as np
 from uncertainties import ufloat, UFloat
 
+import openmc
 import openmc.checkvalue as cv
+from openmc.exceptions import DataError
 from openmc.mixin import EqualityMixin
-from openmc.stats import Discrete, Tabular, combine_distributions
+from openmc.stats import Discrete, Tabular, Univariate, combine_distributions
 from .data import ATOMIC_SYMBOL, ATOMIC_NUMBER
 from .function import INTERPOLATION_SCHEME
 from .endf import Evaluation, get_head_record, get_list_record, get_tab1_record
@@ -570,3 +574,40 @@ class Decay(EqualityMixin):
 
         self._sources = merged_sources
         return self._sources
+
+
+_DECAY_PHOTON_SOURCE = {}
+
+
+def decay_photon_source(nuclide):
+    """Get photon source from the decay of a nuclide
+
+    This function relies on data stored in a depletion chain. Before calling it
+    for the first time, you need to ensure that a depletion chain has been
+    specified in openmc.config['chain_file'].
+
+    Parameters
+    ----------
+    nuclide : str
+        Name of nuclide, e.g., 'Co58'
+
+    Returns
+    -------
+    openmc.stats.Univariate
+        Distribution of energies in [eV] of photons emitted from decay
+    """
+    if not _DECAY_PHOTON_SOURCE:
+        chain_file = openmc.config.get('chain_file')
+        if chain_file is None:
+            raise DataError(
+                "A depletion chain file must be specified with "
+                "openmc.config['chain_file'] in order to load decay data."
+            )
+
+        from openmc.deplete import Chain
+        chain = Chain.from_xml(chain_file)
+        for nuc in chain.nuclides:
+            if 'photon' in nuc.sources:
+                _DECAY_PHOTON_SOURCE[nuc.name] = nuc.sources['photon']
+
+    return _DECAY_PHOTON_SOURCE.get(nuclide)
diff --git a/openmc/material.py b/openmc/material.py
index 1b2b46a73..b5c9d70f9 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -255,6 +255,18 @@ class Material(IDManagerMixin):
                            / openmc.data.AVOGADRO
         return density*self.volume
 
+    @property
+    def decay_photon_source(self):
+        atoms = self.get_nuclide_atoms()
+        dists = []
+        probs = []
+        for nuc, num_atoms in atoms.items():
+            source_per_atom = openmc.data.decay_photon_source(nuc)
+            if source_per_atom is not None:
+                dists.append(source_per_atom)
+                probs.append(num_atoms)
+        return openmc.data.combine_distributions(dists, probs)
+
     @classmethod
     def from_hdf5(cls, group: h5py.Group):
         """Create material from HDF5 group

From ed6fbe37f55a38ade7fd442054c408d95a431f0d Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 30 Aug 2022 21:16:58 -0500
Subject: [PATCH 1010/2654] Rename mat_to_ind -> index_mat, nuc_to_ind ->
 index_nuc in StepResult

---
 openmc/deplete/stepresult.py | 54 ++++++++++++++++++------------------
 1 file changed, 27 insertions(+), 27 deletions(-)

diff --git a/openmc/deplete/stepresult.py b/openmc/deplete/stepresult.py
index db5260c80..b26dfb44c 100644
--- a/openmc/deplete/stepresult.py
+++ b/openmc/deplete/stepresult.py
@@ -42,9 +42,9 @@ class StepResult:
         The reaction rates for each substep.
     volume : OrderedDict of str to float
         Dictionary mapping mat id to volume.
-    mat_to_ind : OrderedDict of str to int
+    index_mat : OrderedDict of str to int
         A dictionary mapping mat ID as string to index.
-    nuc_to_ind : OrderedDict of str to int
+    index_nuc : OrderedDict of str to int
         A dictionary mapping nuclide name as string to index.
     mat_to_hdf5_ind : OrderedDict of str to int
         A dictionary mapping mat ID as string to global index.
@@ -67,8 +67,8 @@ class StepResult:
         self.volume = None
         self.proc_time = None
 
-        self.mat_to_ind = None
-        self.nuc_to_ind = None
+        self.index_mat = None
+        self.index_nuc = None
         self.mat_to_hdf5_ind = None
 
         self.data = None
@@ -98,9 +98,9 @@ class StepResult:
         if isinstance(mat, openmc.Material):
             mat = str(mat.id)
         if isinstance(mat, str):
-            mat = self.mat_to_ind[mat]
+            mat = self.index_mat[mat]
         if isinstance(nuc, str):
-            nuc = self.nuc_to_ind[nuc]
+            nuc = self.index_nuc[nuc]
 
         return self.data[stage, mat, nuc]
 
@@ -120,19 +120,19 @@ class StepResult:
         """
         stage, mat, nuc = pos
         if isinstance(mat, str):
-            mat = self.mat_to_ind[mat]
+            mat = self.index_mat[mat]
         if isinstance(nuc, str):
-            nuc = self.nuc_to_ind[nuc]
+            nuc = self.index_nuc[nuc]
 
         self.data[stage, mat, nuc] = val
 
     @property
     def n_mat(self):
-        return len(self.mat_to_ind)
+        return len(self.index_mat)
 
     @property
     def n_nuc(self):
-        return len(self.nuc_to_ind)
+        return len(self.index_nuc)
 
     @property
     def n_hdf5_mats(self):
@@ -160,8 +160,8 @@ class StepResult:
 
         """
         self.volume = copy.deepcopy(volume)
-        self.nuc_to_ind = {nuc: i for i, nuc in enumerate(nuc_list)}
-        self.mat_to_ind = {mat: i for i, mat in enumerate(burn_list)}
+        self.index_nuc = {nuc: i for i, nuc in enumerate(nuc_list)}
+        self.index_mat = {mat: i for i, mat in enumerate(burn_list)}
         self.mat_to_hdf5_ind = {mat: i for i, mat in enumerate(full_burn_list)}
 
         # Create storage array
@@ -186,10 +186,10 @@ class StepResult:
         """
         new = StepResult()
         new.volume = {lm: self.volume[lm] for lm in local_materials}
-        new.mat_to_ind = {mat: idx for (idx, mat) in enumerate(local_materials)}
+        new.index_mat = {mat: idx for (idx, mat) in enumerate(local_materials)}
 
         # Direct transfer
-        direct_attrs = ("time", "k", "source_rate", "nuc_to_ind",
+        direct_attrs = ("time", "k", "source_rate", "index_nuc",
                         "mat_to_hdf5_ind", "proc_time")
         for attr in direct_attrs:
             setattr(new, attr, getattr(self, attr))
@@ -239,11 +239,11 @@ class StepResult:
         """
         # Create and save the 5 dictionaries:
         # quantities
-        #   self.mat_to_ind -> self.volume (TODO: support for changing volumes)
-        #   self.nuc_to_ind
+        #   self.index_mat -> self.volume (TODO: support for changing volumes)
+        #   self.index_nuc
         # reactions
-        #   self.rates[0].nuc_to_ind (can be different from above, above is superset)
-        #   self.rates[0].react_to_ind
+        #   self.rates[0].index_nuc (can be different from above, above is superset)
+        #   self.rates[0].index_rx
         # these are shared by every step of the simulation, and should be deduplicated.
 
         # Store concentration mat and nuclide dictionaries (along with volumes)
@@ -252,7 +252,7 @@ class StepResult:
         handle.attrs['filetype'] = np.string_('depletion results')
 
         mat_list = sorted(self.mat_to_hdf5_ind, key=int)
-        nuc_list = sorted(self.nuc_to_ind)
+        nuc_list = sorted(self.index_nuc)
         rxn_list = sorted(self.rates[0].index_rx)
 
         n_mats = self.n_hdf5_mats
@@ -272,7 +272,7 @@ class StepResult:
 
         for nuc in nuc_list:
             nuc_single_group = nuc_group.create_group(nuc)
-            nuc_single_group.attrs["atom number index"] = self.nuc_to_ind[nuc]
+            nuc_single_group.attrs["atom number index"] = self.index_nuc[nuc]
             if nuc in self.rates[0].index_nuc:
                 nuc_single_group.attrs["reaction rate index"] = self.rates[0].index_nuc[nuc]
 
@@ -367,13 +367,13 @@ class StepResult:
             proc_time_dset.resize(proc_shape)
 
         # If nothing to write, just return
-        if len(self.mat_to_ind) == 0:
+        if len(self.index_mat) == 0:
             return
 
         # Add data
         # Note, for the last step, self.n_stages = 1, even if n_stages != 1.
         n_stages = self.n_stages
-        inds = [self.mat_to_hdf5_ind[mat] for mat in self.mat_to_ind]
+        inds = [self.mat_to_hdf5_ind[mat] for mat in self.index_mat]
         low = min(inds)
         high = max(inds)
         for i in range(n_stages):
@@ -427,8 +427,8 @@ class StepResult:
 
         # Reconstruct dictionaries
         results.volume = OrderedDict()
-        results.mat_to_ind = OrderedDict()
-        results.nuc_to_ind = OrderedDict()
+        results.index_mat = OrderedDict()
+        results.index_nuc = OrderedDict()
         rxn_nuc_to_ind = OrderedDict()
         rxn_to_ind = OrderedDict()
 
@@ -437,11 +437,11 @@ class StepResult:
             ind = mat_handle.attrs["index"]
 
             results.volume[mat] = vol
-            results.mat_to_ind[mat] = ind
+            results.index_mat[mat] = ind
 
         for nuc, nuc_handle in handle["/nuclides"].items():
             ind_atom = nuc_handle.attrs["atom number index"]
-            results.nuc_to_ind[nuc] = ind_atom
+            results.index_nuc[nuc] = ind_atom
 
             if "reaction rate index" in nuc_handle.attrs:
                 rxn_nuc_to_ind[nuc] = nuc_handle.attrs["reaction rate index"]
@@ -452,7 +452,7 @@ class StepResult:
         results.rates = []
         # Reconstruct reactions
         for i in range(results.n_stages):
-            rate = ReactionRates(results.mat_to_ind, rxn_nuc_to_ind, rxn_to_ind, True)
+            rate = ReactionRates(results.index_mat, rxn_nuc_to_ind, rxn_to_ind, True)
 
             rate[:] = handle["/reaction rates"][step, i, :, :, :]
             results.rates.append(rate)

From 7af56d8db22e552596989d691e44f6084081876f Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 30 Aug 2022 21:17:50 -0500
Subject: [PATCH 1011/2654] Add get_material method on StepResult

---
 openmc/deplete/stepresult.py | 27 +++++++++++++++++++++++++++
 1 file changed, 27 insertions(+)

diff --git a/openmc/deplete/stepresult.py b/openmc/deplete/stepresult.py
index b26dfb44c..41086baf3 100644
--- a/openmc/deplete/stepresult.py
+++ b/openmc/deplete/stepresult.py
@@ -6,6 +6,7 @@ timestep.
 
 from collections import OrderedDict
 import copy
+import warnings
 
 import h5py
 import numpy as np
@@ -198,6 +199,32 @@ class StepResult:
         new.rates = [r[ranges] for r in self.rates]
         return new
 
+    def get_material(self, mat_id):
+        """Return material object for given depleted composition
+
+        Parameters
+        ----------
+        mat_id : str
+            Material ID as a string
+
+        Returns
+        -------
+        openmc.Material
+            Equivalent material
+        """
+        with warnings.catch_warnings():
+            warnings.simplefilter('ignore', openmc.IDWarning)
+            material = openmc.Material(material_id=int(mat_id))
+        vol = self.volume[mat_id]
+        for nuc, _ in sorted(self.index_nuc.items(), key=lambda x: x[1]):
+            atoms = self[0, mat_id, nuc]
+            if atoms < 0.0:
+                continue
+            atom_per_bcm = atoms / vol * 1e-24
+            material.add_nuclide(nuc, atom_per_bcm)
+        material.volume = vol
+        return material
+
     def export_to_hdf5(self, filename, step):
         """Export results to an HDF5 file
 

From ce1abc5350e9e9612bb5e3876b52ff843388160c Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 22 Sep 2022 22:21:48 -0500
Subject: [PATCH 1012/2654] Documentation updates

---
 docs/source/pythonapi/data.rst |  1 +
 openmc/data/decay.py           |  4 +++-
 openmc/deplete/stepresult.py   |  2 ++
 openmc/material.py             | 20 ++++++++++++++------
 4 files changed, 20 insertions(+), 7 deletions(-)

diff --git a/docs/source/pythonapi/data.rst b/docs/source/pythonapi/data.rst
index c7c65e14a..2ee08c7f5 100644
--- a/docs/source/pythonapi/data.rst
+++ b/docs/source/pythonapi/data.rst
@@ -63,6 +63,7 @@ Core Functions
     atomic_weight
     combine_distributions
     decay_constant
+    decay_photon_source
     dose_coefficients
     gnd_name
     half_life
diff --git a/openmc/data/decay.py b/openmc/data/decay.py
index c372b72e4..eafa84f66 100644
--- a/openmc/data/decay.py
+++ b/openmc/data/decay.py
@@ -579,13 +579,15 @@ class Decay(EqualityMixin):
 _DECAY_PHOTON_SOURCE = {}
 
 
-def decay_photon_source(nuclide):
+def decay_photon_source(nuclide: str) -> Univariate:
     """Get photon source from the decay of a nuclide
 
     This function relies on data stored in a depletion chain. Before calling it
     for the first time, you need to ensure that a depletion chain has been
     specified in openmc.config['chain_file'].
 
+    .. versionadded:: 0.14.0
+
     Parameters
     ----------
     nuclide : str
diff --git a/openmc/deplete/stepresult.py b/openmc/deplete/stepresult.py
index 41086baf3..e462f1754 100644
--- a/openmc/deplete/stepresult.py
+++ b/openmc/deplete/stepresult.py
@@ -202,6 +202,8 @@ class StepResult:
     def get_material(self, mat_id):
         """Return material object for given depleted composition
 
+        .. versionadded:: 0.14.0
+
         Parameters
         ----------
         mat_id : str
diff --git a/openmc/material.py b/openmc/material.py
index b5c9d70f9..53bf676d5 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -18,6 +18,7 @@ import openmc.checkvalue as cv
 from ._xml import clean_indentation, reorder_attributes
 from .mixin import IDManagerMixin
 from openmc.checkvalue import PathLike
+from openmc.stats import Univariate
 
 
 # Units for density supported by OpenMC
@@ -34,10 +35,10 @@ class Material(IDManagerMixin):
     To create a material, one should create an instance of this class, add
     nuclides or elements with :meth:`Material.add_nuclide` or
     :meth:`Material.add_element`, respectively, and set the total material
-    density with :meth:`Material.set_density()`. Alternatively, you can
-    use :meth:`Material.add_components()` to pass a dictionary
-    containing all the component information. The material can then be
-    assigned to a cell using the :attr:`Cell.fill` attribute.
+    density with :meth:`Material.set_density()`. Alternatively, you can use
+    :meth:`Material.add_components()` to pass a dictionary containing all the
+    component information. The material can then be assigned to a cell using the
+    :attr:`Cell.fill` attribute.
 
     Parameters
     ----------
@@ -91,6 +92,13 @@ class Material(IDManagerMixin):
     fissionable_mass : float
         Mass of fissionable nuclides in the material in [g]. Requires that the
         :attr:`volume` attribute is set.
+    decay_photon_source : openmc.stats.Univariate
+        Energy distribution of photons emitted from decay of unstable nuclides
+        within the material. The integral of this distribution is the total
+        intensity of the photon source.
+
+        .. versionadded:: 0.14.0
+
     """
 
     next_id = 1
@@ -256,7 +264,7 @@ class Material(IDManagerMixin):
         return density*self.volume
 
     @property
-    def decay_photon_source(self):
+    def decay_photon_source(self) -> Univariate:
         atoms = self.get_nuclide_atoms()
         dists = []
         probs = []
@@ -832,7 +840,7 @@ class Material(IDManagerMixin):
             for nuclide in self._nuclides:
                 if nuclide.name not in matching_nuclides:
                     matching_nuclides.append(nuclide.name)
-                        
+
         return matching_nuclides
 
     def get_nuclide_densities(self):

From 52eef1adf5a764fe3d8e88898282cf29d7024eb1 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Mon, 26 Sep 2022 12:23:40 -0500
Subject: [PATCH 1013/2654] Reset decay source if config['chain_file'] changes

---
 openmc/config.py | 7 +++++++
 1 file changed, 7 insertions(+)

diff --git a/openmc/config.py b/openmc/config.py
index 628df7edc..3c031ee7d 100644
--- a/openmc/config.py
+++ b/openmc/config.py
@@ -4,6 +4,7 @@ from pathlib import Path
 import warnings
 
 from openmc.data import DataLibrary
+from openmc.data.decay import _DECAY_PHOTON_SOURCE
 
 __all__ = ["config"]
 
@@ -22,6 +23,10 @@ class _Config(MutableMapping):
             del os.environ['OPENMC_CROSS_SECTIONS']
         elif key == 'mg_cross_sections':
             del os.environ['OPENMC_MG_CROSS_SECTIONS']
+        elif key == 'chain_file':
+            del os.environ['OPENMC_CHAIN_FILE']
+            # Reset photon source data since it relies on chain file
+            _DECAY_PHOTON_SOURCE.clear()
 
     def __setitem__(self, key, value):
         if key == 'cross_sections':
@@ -34,6 +39,8 @@ class _Config(MutableMapping):
         elif key == 'chain_file':
             self._set_path(key, value)
             os.environ['OPENMC_CHAIN_FILE'] = str(value)
+            # Reset photon source data since it relies on chain file
+            _DECAY_PHOTON_SOURCE.clear()
         else:
             raise KeyError(f'Unrecognized config key: {key}')
 

From 95d182b73f6ef68e6e1ca3c2d75ae74183721a7c Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Mon, 26 Sep 2022 12:24:13 -0500
Subject: [PATCH 1014/2654] Add tests for decay photon source

---
 tests/chain_simple.xml                 | 12 ++++++++++++
 tests/unit_tests/test_data_decay.py    | 20 ++++++++++++++++++-
 tests/unit_tests/test_deplete_chain.py | 10 ++++++++++
 tests/unit_tests/test_material.py      | 27 ++++++++++++++++++++++++++
 4 files changed, 68 insertions(+), 1 deletion(-)

diff --git a/tests/chain_simple.xml b/tests/chain_simple.xml
index c2e50a370..ba42b5542 100644
--- a/tests/chain_simple.xml
+++ b/tests/chain_simple.xml
@@ -3,10 +3,16 @@
   <nuclide name="I135" decay_modes="1" reactions="1" half_life="2.36520E+04">
     <decay type="beta" target="Xe135" branching_ratio="1.0" />
     <reaction type="(n,gamma)" Q="0.0" target="Xe136" /> <!-- Not precisely true, but whatever -->
+    <source type="discrete" particle="photon">
+      <parameters>3696.125 4095.822 4477.27 5097.122 29452.1 29781.3 33566.5 33629.4 33865.1 33878.5 34395.3 34408.0 34486.2 34488.2 112780.0 113150.0 162650.0 165740.0 184490.0 197190.0 220502.0 229720.0 247500.0 254740.0 264260.0 288451.0 290270.0 304910.0 305830.0 326000.0 333600.0 342520.0 361850.0 403030.0 414830.0 417633.0 429930.0 433741.0 451630.0 530800.0 546557.0 575970.0 588280.0 616900.0 649850.0 656090.0 679220.0 684600.0 690130.0 707920.0 785480.0 795500.0 797710.0 807200.0 836804.0 960290.0 961430.0 971960.0 972620.0 995090.0 1038760.0 1096860.0 1101580.0 1124000.0 1131511.0 1151510.0 1159900.0 1169040.0 1225600.0 1240470.0 1254800.0 1260409.0 1315770.0 1334800.0 1343660.0 1367890.0 1441800.0 1448350.0 1457560.0 1502790.0 1521990.0 1543700.0 1566410.0 1678027.0 1706459.0 1791196.0 1830690.0 1845300.0 1927300.0 1948490.0 2045880.0 2112400.0 2151500.0 2189400.0 2255457.0 2408650.0 2466070.0 2477100.0 9.714352819815078e-10 7.460941651551526e-09 6.047882056201745e-09 8.510389107205747e-10 3.7979729633684727e-08 7.033747061198817e-08 6.602815946851458e-09 1.2800909198245071e-08 6.513060244589454e-11 8.894667887850525e-11 1.3843783302275766e-09 2.700005498135763e-09 1.2141115256573815e-11 1.654893875618862e-11 3.7007705885806645e-09 2.0186021392258173e-09 2.859686363903241e-09 9.16781804898392e-09 6.896890642354875e-09 9.588360161322631e-09 5.130613770532286e-07 7.06510748729036e-08 8.410842246774237e-09 6.7286737974193905e-09 5.3829390379355124e-08 9.083709626516178e-07 8.915492781580693e-08 9.251926471451662e-09 2.783988783682273e-08 6.728673797419391e-10 1.093409492080651e-08 2.5232526740322717e-10 5.467047460403255e-08 6.812782219887132e-08 8.83138435911295e-08 1.0345335963532313e-06 8.915492781580693e-08 1.623292553627428e-07 9.251926471451663e-08 9.251926471451662e-09 2.0942997194467853e-06 3.784879011048407e-08 1.513951604419363e-08 1.093409492080651e-08 1.337323917237104e-07 2.186818984161302e-08 1.5980600268871052e-08 6.7286737974193905e-09 3.784879011048407e-08 1.9344937167580748e-07 4.457746390790346e-08 6.7286737974193905e-09 5.0465053480645434e-08 1.3457347594838781e-08 1.9597262434983976e-06 1.0093010696129087e-08 4.289529545854862e-08 2.607361096500014e-07 3.53255374364518e-07 4.541854813258089e-08 2.329803302356464e-06 2.607361096500014e-08 4.7100716581935733e-07 1.059766123093554e-06 6.6193328482113254e-06 4.205421123387119e-10 3.027903208838726e-08 2.565306885266143e-07 1.2616263370161358e-08 2.649415307733885e-07 3.3643368987096953e-09 8.410842246774237e-06 1.934493716758075e-08 9.251926471451662e-09 2.2709274066290446e-08 1.7830985563161385e-07 5.046505348064544e-09 9.251926471451663e-08 2.5400743585258203e-06 3.154065842540339e-07 1.093409492080651e-08 7.569758022096815e-09 3.784879011048407e-07 2.8008104681758214e-06 1.2027504412887161e-06 2.26251656438227e-06 1.6989901338483962e-07 1.6821684493548476e-09 8.663167514177466e-08 1.8503852942903323e-08 2.5568960430193683e-07 2.0186021392258175e-08 6.560456952483906e-09 3.784879011048407e-09 1.7999202408096872e-07 2.800810468175822e-07 2.1027105616935597e-08 4.205421123387119e-10</parameters>
+    </source>
   </nuclide>
   <nuclide name="Xe135" decay_modes="1" reactions="1" half_life="3.29040E+04">
     <decay type=" beta" target="Cs135" branching_ratio="1.0" />
     <reaction type="(n,gamma)" Q="0.0" target="Xe136" />
+    <source type="discrete" particle="photon">
+      <parameters>3860.681 4271.629 4683.641 5336.674 30621.8 30978.9 34925.5 34994.3 35237.3 35252.0 35803.0 35817.2 35899.4 35901.8 158197.0 200190.0 249794.0 358390.0 373130.0 407990.0 454200.0 573320.0 608185.0 654432.0 731520.0 812630.0 1062410.0 7.994251137825248e-09 6.327910906791491e-08 5.1272731446173495e-08 7.363690277270275e-09 3.054968676386751e-07 5.64321319541835e-07 5.347473347583344e-08 1.0365225698627538e-07 5.533995748532528e-10 7.536429363113684e-10 1.1251670022820477e-08 2.1931143930358873e-08 1.0789862609689208e-10 1.4667031416354672e-10 6.085892914653786e-08 2.4646918345949914e-09 1.895916795842301e-05 4.644996149813638e-08 3.223058552931912e-09 7.545748847452359e-08 7.583667183369205e-10 1.0048359017964195e-09 6.10485208261221e-07 9.479583979211505e-09 1.1565092454638037e-08 1.478815100756995e-08 8.531625581290355e-10</parameters>
+    </source>
   </nuclide>
   <nuclide name="Xe136" decay_modes="0" reactions="0" />
   <nuclide name="Cs135" decay_modes="0" reactions="0" />
@@ -28,6 +34,9 @@
   </nuclide>
   <nuclide name="U235" decay_modes="0" reactions="1">
     <reaction type="fission" Q="193410000."/>
+    <source type="discrete" particle="photon">
+      <parameters>3065.349 12960.11 13197.49 16125.43 19185.05 19590.0 31600.0 34700.0 41400.0 41960.0 51220.0 54100.0 54250.0 64350.0 72700.0 75020.0 76198.0 90330.0 93795.0 96090.0 105278.0 106074.0 106608.0 106771.0 108948.0 109154.0 109160.0 109395.0 109433.0 115450.0 120350.0 136550.0 140760.0 142400.0 143760.0 150930.0 163330.0 173300.0 182610.0 185715.0 194940.0 198900.0 202110.0 205311.0 215280.0 221380.0 228780.0 233500.0 240870.0 246840.0 266450.0 275129.0 275430.0 281420.0 282920.0 289560.0 291650.0 301700.0 317100.0 343500.0 345900.0 356030.0 387820.0 410290.0 428710.0 448400.0 1.4211820389290126e-18 3.695705148646686e-18 4.752472005970374e-19 4.0825252294602915e-18 8.998127221991115e-19 1.9035285506819052e-21 5.305446177665699e-21 1.1547147563154756e-20 9.362552078233586e-21 1.86835843588509e-20 1.0610892355331398e-20 2.736290732002608e-22 4.776811520523089e-21 3.977552295559136e-21 3.432935762018982e-20 1.872510415646717e-20 2.4966805541956234e-21 1.0265454754703584e-18 1.7575878976520235e-18 2.839974130397521e-20 2.1057468800839102e-19 4.1342252420362975e-19 7.098565272539688e-21 8.20050332279016e-21 5.276915360632628e-20 1.0602918581811435e-19 4.806110066826575e-19 2.0521431485853304e-21 2.375669880669523e-21 9.362552078233586e-21 8.267152210184412e-21 3.745020831293435e-21 6.865871524037964e-20 1.5604253463722645e-21 3.420452359248004e-18 2.4966805541956232e-20 1.5853921519142206e-18 1.8725104156467174e-21 1.0610892355331397e-19 1.7851265962498703e-17 1.966135936429053e-19 1.3107572909527022e-20 3.370518748164091e-19 1.5635461970650089e-18 9.050467008959134e-21 3.745020831293434e-20 2.18459548492117e-21 9.050467008959134e-21 2.3406380195583967e-20 1.6540508671546e-20 1.8725104156467174e-21 1.622842360227155e-20 2.18459548492117e-21 1.8725104156467174e-21 1.8725104156467174e-21 2.18459548492117e-21 1.2483402770978116e-20 1.5604253463722645e-21 3.120850692744529e-22 9.362552078233587e-22 1.2483402770978116e-20 1.5604253463722645e-21 1.2483402770978116e-20 9.362552078233587e-22 3.120850692744529e-22 3.120850692744529e-22</parameters>
+    </source>
     <neutron_fission_yields>
       <energies>2.53000e-02</energies>
       <fission_yields energy="2.53000e-02">
@@ -38,6 +47,9 @@
   </nuclide>
   <nuclide name="U238" decay_modes="0" reactions="1">
     <reaction type="fission" Q="197790000."/>
+    <source type="discrete" particle="photon">
+      <parameters>3061.32 12959.8 13440.07 16150.05 19148.83 49550.0 90330.0 93795.0 105278.0 106074.0 106608.0 106771.0 108948.0 109154.0 109395.0 109433.0 113500.0 5.3130501476983077e-20 1.4936931167066328e-19 1.943509007980312e-20 1.8224649880365157e-19 4.0452400597373603e-20 3.146222282132249e-21 3.300026341588747e-23 5.444173877278485e-23 6.3486292118621375e-24 1.2400176384733938e-23 2.124537722121886e-25 2.4542156071495764e-25 1.5792541400719878e-24 3.1731991718126067e-24 6.141568457919309e-26 7.109808533300877e-26 5.014291762148272e-22</parameters>
+    </source>
     <neutron_fission_yields>
       <energies>2.53000e-02</energies>
       <fission_yields energy="2.53000e-02">
diff --git a/tests/unit_tests/test_data_decay.py b/tests/unit_tests/test_data_decay.py
index f0bda1bd9..e658c16d3 100644
--- a/tests/unit_tests/test_data_decay.py
+++ b/tests/unit_tests/test_data_decay.py
@@ -1,13 +1,14 @@
 #!/usr/bin/env python
 
-from collections.abc import Mapping
 import os
 from math import log
+from pathlib import Path
 
 import numpy as np
 import pytest
 from uncertainties import ufloat
 import openmc.data
+from openmc.exceptions import DataError
 
 
 def ufloat_close(a, b):
@@ -126,3 +127,20 @@ def test_sources(ba137m, nb90):
     # Nb90 decays by β+ and should emit positrons, electrons, and photons
     sources = nb90.sources
     assert len(set(sources.keys()) ^ {'positron', 'electron', 'photon'}) == 0
+
+
+def test_decay_photon_source():
+    # If chain file is not set, we should get a data error
+    if 'chain_file' in openmc.config:
+        del openmc.config['chain_file']
+    with pytest.raises(DataError):
+        openmc.data.decay_photon_source('135')
+
+    # Set chain file to simple chain
+    openmc.config['chain_file'] = Path(__file__).parents[1] / "chain_simple.xml"
+
+    # Check strength of I135 source and presence of specific spectral line
+    src = openmc.data.decay_photon_source('I135')
+    assert isinstance(src, openmc.stats.Discrete)
+    assert src.integral() == pytest.approx(3.920996223799345e-05)
+    assert 1260409. in src.x
diff --git a/tests/unit_tests/test_deplete_chain.py b/tests/unit_tests/test_deplete_chain.py
index 4bfdaa63e..32c3e2809 100644
--- a/tests/unit_tests/test_deplete_chain.py
+++ b/tests/unit_tests/test_deplete_chain.py
@@ -9,6 +9,7 @@ from pathlib import Path
 import numpy as np
 from openmc.mpi import comm
 from openmc.deplete import Chain, reaction_rates, nuclide, cram, pool
+from openmc.stats import Discrete
 import pytest
 
 from tests import cdtemp
@@ -476,6 +477,15 @@ def gnd_simple_chain():
     return Chain.from_xml(chainfile)
 
 
+def test_chain_sources(gnd_simple_chain):
+    i135 = gnd_simple_chain['I135']
+    assert isinstance(i135.sources, dict)
+    assert list(i135.sources.keys()) == ['photon']
+    photon_src = i135.sources['photon']
+    assert isinstance(photon_src, Discrete)
+    assert photon_src.integral() == pytest.approx(3.920996223799345e-05)
+
+
 def test_reduce(gnd_simple_chain, endf_chain):
     ref_U5 = gnd_simple_chain["U235"]
     ref_iodine = gnd_simple_chain["I135"]
diff --git a/tests/unit_tests/test_material.py b/tests/unit_tests/test_material.py
index 7b8a60629..352017c8d 100644
--- a/tests/unit_tests/test_material.py
+++ b/tests/unit_tests/test_material.py
@@ -1,8 +1,10 @@
 from collections import defaultdict
+from pathlib import Path
 
 import pytest
 
 import openmc
+from openmc.data import decay_photon_source
 import openmc.examples
 import openmc.model
 import openmc.stats
@@ -541,3 +543,28 @@ def test_get_activity():
     # volume is required to calculate total activity
     m4.volume = 10.
     assert pytest.approx(m4.get_activity(units='Bq')) == 355978108155965.94*3/2*10 # [Bq]
+
+
+def test_decay_photon_source():
+    # Set chain file for testing
+    openmc.config['chain_file'] = Path(__file__).parents[1] / 'chain_simple.xml'
+
+    # Material representing single atom of I135, Xe135, and Cs135
+    m = openmc.Material()
+    m.add_nuclide('I135', 1.0e-24)
+    m.add_nuclide('Xe135', 1.0e-24)
+    m.add_nuclide('Cs135', 1.0e-24)
+    m.volume = 1.0
+
+    # Get decay photon source and make sure it's the right type
+    src = m.decay_photon_source
+    assert isinstance(src, openmc.stats.Discrete)
+
+    # With a single atom of each, the intensity of the photon source should be
+    # equal to sum(I*λ)
+    def intensity(src):
+        return src.integral() if src is not None else 0.0
+
+    assert src.integral() == pytest.approx(sum(
+        intensity(decay_photon_source(nuc)) for nuc in m.get_nuclides()
+    ))

From 89c33923c1a46a35a5a1c0ad2115671b72d15228 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Mon, 26 Sep 2022 12:33:26 -0500
Subject: [PATCH 1015/2654] Add test for StepResult.get_material

---
 tests/unit_tests/test_deplete_resultslist.py | 14 ++++++++++++++
 1 file changed, 14 insertions(+)

diff --git a/tests/unit_tests/test_deplete_resultslist.py b/tests/unit_tests/test_deplete_resultslist.py
index 63073cf57..e13944e03 100644
--- a/tests/unit_tests/test_deplete_resultslist.py
+++ b/tests/unit_tests/test_deplete_resultslist.py
@@ -133,3 +133,17 @@ def test_get_steps(unit):
     actual = results.get_step_where(
         times[-1] * 100, time_units=unit, atol=inf, rtol=inf)
     assert actual == times.size - 1
+
+
+def test_stepresult_get_material(res):
+    # Get material at first timestep
+    step_result = res[0]
+    mat1 = step_result.get_material("1")
+    assert mat1.id == 1
+    assert mat1.volume == step_result.volume["1"]
+
+    # Spot check number densities
+    densities = mat1.get_nuclide_atom_densities()
+    assert densities['Xe135'] == pytest.approx(1e-14)
+    assert densities['I135'] == pytest.approx(1e-21)
+    assert densities['U234'] == pytest.approx(1.00506e-05)

From aff6316642ccb3ba11b5c474c191f85ecb1ce436 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 5 Aug 2022 11:39:48 -0500
Subject: [PATCH 1016/2654] Simple rejection based on a vector of cell IDs

---
 include/openmc/source.h |  9 +++++++--
 openmc/source.py        | 29 +++++++++++++++++++++++++++-
 src/source.cpp          | 42 +++++++++++++++++++++++++++++------------
 3 files changed, 65 insertions(+), 15 deletions(-)

diff --git a/include/openmc/source.h b/include/openmc/source.h
index 18fddc689..d48b4e4ae 100644
--- a/include/openmc/source.h
+++ b/include/openmc/source.h
@@ -4,6 +4,8 @@
 #ifndef OPENMC_SOURCE_H
 #define OPENMC_SOURCE_H
 
+#include <unordered_set>
+
 #include "pugixml.hpp"
 
 #include "openmc/distribution_multi.h"
@@ -51,13 +53,15 @@ public:
 };
 
 //==============================================================================
-//! Source composed of independent spatial, angle, energy, and time distributions
+//! Source composed of independent spatial, angle, energy, and time
+//! distributions
 //==============================================================================
 
 class IndependentSource : public Source {
 public:
   // Constructors
-  IndependentSource(UPtrSpace space, UPtrAngle angle, UPtrDist energy, UPtrDist time);
+  IndependentSource(
+    UPtrSpace space, UPtrAngle angle, UPtrDist energy, UPtrDist time);
   explicit IndependentSource(pugi::xml_node node);
 
   //! Sample from the external source distribution
@@ -82,6 +86,7 @@ private:
   UPtrAngle angle_;                               //!< Angular distribution
   UPtrDist energy_;                               //!< Energy distribution
   UPtrDist time_;                                 //!< Time distribution
+  std::unordered_set<int32_t> cells_;             //!< Cells to reject from
 };
 
 //==============================================================================
diff --git a/openmc/source.py b/openmc/source.py
index bd4c28ba4..6ec1338a3 100644
--- a/openmc/source.py
+++ b/openmc/source.py
@@ -5,6 +5,7 @@ from xml.etree import ElementTree as ET
 import numpy as np
 import h5py
 
+import openmc
 import openmc.checkvalue as cv
 from openmc.stats.multivariate import UnitSphere, Spatial
 from openmc.stats.univariate import Univariate
@@ -36,6 +37,8 @@ class Source:
         Strength of the source
     particle : {'neutron', 'photon'}
         Source particle type
+    cells : iterable of int or openmc.Cell
+        Cells to reject based on
 
     Attributes
     ----------
@@ -57,11 +60,14 @@ class Source:
         Strength of the source
     particle : {'neutron', 'photon'}
         Source particle type
+    cells : iterable of int or openmc.Cell
+        Cells to reject based on
 
     """
 
     def __init__(self, space=None, angle=None, energy=None, time=None, filename=None,
-                 library=None, parameters=None, strength=1.0, particle='neutron'):
+                 library=None, parameters=None, strength=1.0, particle='neutron',
+                 cells=None):
         self._space = None
         self._angle = None
         self._energy = None
@@ -69,6 +75,7 @@ class Source:
         self._file = None
         self._library = None
         self._parameters = None
+        self._cells = []
 
         if space is not None:
             self.space = space
@@ -86,6 +93,8 @@ class Source:
             self.parameters = parameters
         self.strength = strength
         self.particle = particle
+        if cells is not None:
+            self.cells = cells
 
     @property
     def file(self):
@@ -123,6 +132,10 @@ class Source:
     def particle(self):
         return self._particle
 
+    @property
+    def cells(self):
+        return self._cells
+
     @file.setter
     def file(self, filename):
         cv.check_type('source file', filename, str)
@@ -169,6 +182,13 @@ class Source:
         cv.check_value('source particle', particle, ['neutron', 'photon'])
         self._particle = particle
 
+    @cells.setter
+    def cells(self, cells):
+        self._cells = [
+            cell.id if isinstance(cell, openmc.Cell) else cell
+            for cell in cells
+        ]
+
     def to_xml_element(self):
         """Return XML representation of the source
 
@@ -196,6 +216,9 @@ class Source:
             element.append(self.energy.to_xml_element('energy'))
         if self.time is not None:
             element.append(self.time.to_xml_element('time'))
+        if self.cells:
+            cells_elem = ET.SubElement(element, "cells")
+            cells_elem.text = ' '.join(str(x) for x in self.cells)
         return element
 
     @classmethod
@@ -251,6 +274,10 @@ class Source:
         if time is not None:
             source.time = Univariate.from_xml_element(time)
 
+        cells = elem.find('cells')
+        if cells is not None:
+            source.cells = [int(x) for x in cells.text.split()]
+
         return source
 
 
diff --git a/src/source.cpp b/src/source.cpp
index efc9e4598..17bef4377 100644
--- a/src/source.cpp
+++ b/src/source.cpp
@@ -16,8 +16,10 @@
 #include "openmc/bank.h"
 #include "openmc/capi.h"
 #include "openmc/cell.h"
+#include "openmc/container_util.h"
 #include "openmc/error.h"
 #include "openmc/file_utils.h"
+#include "openmc/geometry.h"
 #include "openmc/hdf5_interface.h"
 #include "openmc/material.h"
 #include "openmc/memory.h"
@@ -151,29 +153,36 @@ IndependentSource::IndependentSource(pugi::xml_node node)
       double p[] {1.0};
       time_ = UPtrDist {new Discrete {T, p, 1}};
     }
+
+    // Check for cells to reject from
+    if (check_for_node(node, "cells")) {
+      auto cells = get_node_array<int>(node, "cells");
+      cells_.insert(cells.cbegin(), cells.cend());
+    }
   }
 }
 
 SourceSite IndependentSource::sample(uint64_t* seed) const
 {
   SourceSite site;
+  site.particle = particle_;
 
   // Repeat sampling source location until a good site has been found
   bool found = false;
   int n_reject = 0;
   static int n_accept = 0;
+
   while (!found) {
     // Set particle type
-    site.particle = particle_;
+    Particle p;
+    p.type() = particle_;
+    p.u() = {0.0, 0.0, 1.0};
 
     // Sample spatial distribution
-    site.r = space_->sample(seed);
+    p.r() = space_->sample(seed);
 
     // Now search to see if location exists in geometry
-    int32_t cell_index, instance;
-    double xyz[] {site.r.x, site.r.y, site.r.z};
-    int err = openmc_find_cell(xyz, &cell_index, &instance);
-    found = (err != OPENMC_E_GEOMETRY);
+    found = exhaustive_find_cell(p);
 
     // Check if spatial site is in fissionable material
     if (found) {
@@ -181,15 +190,22 @@ SourceSite IndependentSource::sample(uint64_t* seed) const
       if (space_box) {
         if (space_box->only_fissionable()) {
           // Determine material
-          const auto& c = model::cells[cell_index];
-          auto mat_index =
-            c->material_.size() == 1 ? c->material_[0] : c->material_[instance];
-
+          auto mat_index = p.material();
           if (mat_index == MATERIAL_VOID) {
             found = false;
           } else {
-            if (!model::materials[mat_index]->fissionable_)
-              found = false;
+            found = model::materials[mat_index]->fissionable_;
+          }
+        }
+      }
+
+      // Rejection based on cells
+      if (!cells_.empty()) {
+        found = false;
+        for (const auto& coord : p.coord()) {
+          if (contains(cells_, model::cells[coord.cell]->id_)) {
+            found = true;
+            break;
           }
         }
       }
@@ -205,6 +221,8 @@ SourceSite IndependentSource::sample(uint64_t* seed) const
                     "definition.");
       }
     }
+
+    site.r = p.r();
   }
 
   // Sample angle

From 3e5c9d83c509754be32f40fba6c3f73427b2fd92 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 1 Sep 2022 16:13:26 -0500
Subject: [PATCH 1017/2654] Expand source rejection to cells, materials, and
 universes

---
 include/openmc/source.h |  7 +++-
 openmc/source.py        | 85 +++++++++++++++++++++++++++++------------
 src/source.cpp          | 44 ++++++++++++++++-----
 3 files changed, 100 insertions(+), 36 deletions(-)

diff --git a/include/openmc/source.h b/include/openmc/source.h
index d48b4e4ae..04b9ff856 100644
--- a/include/openmc/source.h
+++ b/include/openmc/source.h
@@ -80,13 +80,18 @@ public:
   Distribution* time() const { return time_.get(); }
 
 private:
+  // Domain types
+  enum class DomainType { UNIVERSE, MATERIAL, CELL };
+
+  // Data members
   ParticleType particle_ {ParticleType::neutron}; //!< Type of particle emitted
   double strength_ {1.0};                         //!< Source strength
   UPtrSpace space_;                               //!< Spatial distribution
   UPtrAngle angle_;                               //!< Angular distribution
   UPtrDist energy_;                               //!< Energy distribution
   UPtrDist time_;                                 //!< Time distribution
-  std::unordered_set<int32_t> cells_;             //!< Cells to reject from
+  DomainType domain_type_;                        //!< Domain type for rejection
+  std::unordered_set<int32_t> domain_ids_;        //!< Domains to reject from
 };
 
 //==============================================================================
diff --git a/openmc/source.py b/openmc/source.py
index 6ec1338a3..48e14f6f7 100644
--- a/openmc/source.py
+++ b/openmc/source.py
@@ -1,5 +1,7 @@
+from collections.abc import Iterable
 from enum import Enum
 from numbers import Real
+import warnings
 from xml.etree import ElementTree as ET
 
 import numpy as np
@@ -37,8 +39,9 @@ class Source:
         Strength of the source
     particle : {'neutron', 'photon'}
         Source particle type
-    cells : iterable of int or openmc.Cell
-        Cells to reject based on
+    domains : iterable of openmc.Cell, openmc.Material, or openmc.Universe
+        Domains to reject based on, i.e., if a sampled spatial location is not
+        within one of these domains, it will be rejected.
 
     Attributes
     ----------
@@ -60,14 +63,16 @@ class Source:
         Strength of the source
     particle : {'neutron', 'photon'}
         Source particle type
-    cells : iterable of int or openmc.Cell
-        Cells to reject based on
+    ids : Iterable of int
+        IDs of domains to use for rejection
+    domain_type : {'cell', 'material', 'universe'}
+        Type of domain to use for rejection
 
     """
 
     def __init__(self, space=None, angle=None, energy=None, time=None, filename=None,
                  library=None, parameters=None, strength=1.0, particle='neutron',
-                 cells=None):
+                 domains=None):
         self._space = None
         self._angle = None
         self._energy = None
@@ -75,7 +80,6 @@ class Source:
         self._file = None
         self._library = None
         self._parameters = None
-        self._cells = []
 
         if space is not None:
             self.space = space
@@ -93,8 +97,17 @@ class Source:
             self.parameters = parameters
         self.strength = strength
         self.particle = particle
-        if cells is not None:
-            self.cells = cells
+
+        self._domain_ids = []
+        self._domain_type = None
+        if domains is not None:
+            if isinstance(domains[0], openmc.Cell):
+                self.domain_type = 'cell'
+            elif isinstance(domains[0], openmc.Material):
+                self.domain_type = 'material'
+            elif isinstance(domains[0], openmc.Universe):
+                self.domain_type = 'universe'
+            self.domain_ids = [d.id for d in domains]
 
     @property
     def file(self):
@@ -133,8 +146,22 @@ class Source:
         return self._particle
 
     @property
-    def cells(self):
-        return self._cells
+    def domain_ids(self):
+        return self._domain_ids
+
+    @property
+    def domain_type(self):
+        return self._domain_type
+
+    @domain_ids.setter
+    def domain_ids(self, ids):
+        cv.check_type('domain IDs', ids, Iterable, Real)
+        self._domain_ids = ids
+
+    @domain_type.setter
+    def domain_type(self, domain_type):
+        cv.check_value('domain type', domain_type, ('cell', 'material', 'universe'))
+        self._domain_type = domain_type
 
     @file.setter
     def file(self, filename):
@@ -182,13 +209,6 @@ class Source:
         cv.check_value('source particle', particle, ['neutron', 'photon'])
         self._particle = particle
 
-    @cells.setter
-    def cells(self, cells):
-        self._cells = [
-            cell.id if isinstance(cell, openmc.Cell) else cell
-            for cell in cells
-        ]
-
     def to_xml_element(self):
         """Return XML representation of the source
 
@@ -216,9 +236,11 @@ class Source:
             element.append(self.energy.to_xml_element('energy'))
         if self.time is not None:
             element.append(self.time.to_xml_element('time'))
-        if self.cells:
-            cells_elem = ET.SubElement(element, "cells")
-            cells_elem.text = ' '.join(str(x) for x in self.cells)
+        if self.domain_ids:
+            dt_elem = ET.SubElement(element, "domain_type")
+            dt_elem.text = self.domain_type
+            id_elem = ET.SubElement(element, "domain_ids")
+            id_elem.text = ' '.join(str(uid) for uid in self.domain_ids)
         return element
 
     @classmethod
@@ -236,7 +258,24 @@ class Source:
             Source generated from XML element
 
         """
-        source = cls()
+        domain_type = get_text(elem, "domain_type")
+        if domain_type is not None:
+            domain_ids = [int(x) for x in get_text(elem, "domain_ids").split()]
+
+            # Instantiate some throw-away domains that are used by the
+            # constructor to assign IDs
+            with warnings.catch_warnings():
+                warnings.simplefilter('ignore', openmc.IDWarning)
+                if domain_type == 'cell':
+                    domains = [openmc.Cell(uid) for uid in domain_ids]
+                elif domain_type == 'material':
+                    domains = [openmc.Material(uid) for uid in domain_ids]
+                elif domain_type == 'universe':
+                    domains = [openmc.Universe(uid) for uid in domain_ids]
+        else:
+            domains = None
+
+        source = cls(domains=domains)
 
         strength = get_text(elem, 'strength')
         if strength is not None:
@@ -274,10 +313,6 @@ class Source:
         if time is not None:
             source.time = Univariate.from_xml_element(time)
 
-        cells = elem.find('cells')
-        if cells is not None:
-            source.cells = [int(x) for x in cells.text.split()]
-
         return source
 
 
diff --git a/src/source.cpp b/src/source.cpp
index 17bef4377..e443c49e6 100644
--- a/src/source.cpp
+++ b/src/source.cpp
@@ -154,10 +154,22 @@ IndependentSource::IndependentSource(pugi::xml_node node)
       time_ = UPtrDist {new Discrete {T, p, 1}};
     }
 
-    // Check for cells to reject from
-    if (check_for_node(node, "cells")) {
-      auto cells = get_node_array<int>(node, "cells");
-      cells_.insert(cells.cbegin(), cells.cend());
+    // Check for domains to reject from
+    if (check_for_node(node, "domain_type")) {
+      std::string domain_type = get_node_value(node, "domain_type");
+      if (domain_type == "cell") {
+        domain_type_ = DomainType::CELL;
+      } else if (domain_type == "material") {
+        domain_type_ = DomainType::MATERIAL;
+      } else if (domain_type == "universe") {
+        domain_type_ = DomainType::UNIVERSE;
+      } else {
+        fatal_error(std::string(
+          "Unrecognized domain type for source rejection: " + domain_type));
+      }
+
+      auto ids = get_node_array<int>(node, "domain_ids");
+      domain_ids_.insert(ids.begin(), ids.end());
     }
   }
 }
@@ -199,13 +211,25 @@ SourceSite IndependentSource::sample(uint64_t* seed) const
         }
       }
 
-      // Rejection based on cells
-      if (!cells_.empty()) {
+      // Rejection based on cells/materials/universes
+      if (!domain_ids_.empty()) {
         found = false;
-        for (const auto& coord : p.coord()) {
-          if (contains(cells_, model::cells[coord.cell]->id_)) {
-            found = true;
-            break;
+        if (domain_type_ == DomainType::MATERIAL) {
+          auto mat_index = p.material();
+          if (mat_index != MATERIAL_VOID) {
+            if (contains(domain_ids_, model::materials[mat_index]->id())) {
+              found = true;
+            }
+          }
+        } else {
+          for (const auto& coord : p.coord()) {
+            auto id = (domain_type_ == DomainType::CELL)
+                        ? model::cells[coord.cell]->id_
+                        : model::universes[coord.universe]->id_;
+            if (contains(domain_ids_, id)) {
+              found = true;
+              break;
+            }
           }
         }
       }

From dd7a25c570ba1741f683d4add9a2ce96e7b88959 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Mon, 26 Sep 2022 14:20:34 -0500
Subject: [PATCH 1018/2654] Add test for source rejection by domain

---
 tests/unit_tests/test_source.py | 36 +++++++++++++++++++++++++++++++++
 1 file changed, 36 insertions(+)

diff --git a/tests/unit_tests/test_source.py b/tests/unit_tests/test_source.py
index 76dcbcdc8..7558d8238 100644
--- a/tests/unit_tests/test_source.py
+++ b/tests/unit_tests/test_source.py
@@ -1,6 +1,7 @@
 from math import pi
 
 import openmc
+import openmc.lib
 import openmc.stats
 import numpy as np
 from pytest import approx
@@ -96,3 +97,38 @@ def test_source_xml_roundtrip():
     np.testing.assert_allclose(new_src.angle.reference_uvw, src.angle.reference_uvw)
     assert new_src.particle == src.particle
     assert new_src.strength == approx(src.strength)
+
+
+def test_rejection(run_in_tmpdir):
+    # Model with two spheres inside a box
+    mat = openmc.Material()
+    mat.add_nuclide('H1', 1.0)
+    sph1 = openmc.Sphere(x0=3, r=1.0)
+    sph2 = openmc.Sphere(x0=-3, r=1.0)
+    cube = openmc.model.RectangularParallelepiped(
+        -5., 5., -5., 5., -5., 5., boundary_type='reflective'
+    )
+    cell1 = openmc.Cell(fill=mat, region=-sph1)
+    cell2 = openmc.Cell(fill=mat, region=-sph2)
+    cell3 = openmc.Cell(region=+sph1 & +sph2 & -cube)
+    model = openmc.Model()
+    model.geometry = openmc.Geometry([cell1, cell2, cell3])
+    model.settings.particles = 100
+    model.settings.batches = 10
+    model.settings.run_mode = 'fixed source'
+
+    # Set up a box source with rejection on the spherical cell
+    space = openmc.stats.Box(*cell3.bounding_box)
+    model.settings.source = openmc.Source(space=space, domains=[cell1, cell2])
+
+    # Load up model via openmc.lib and sample source
+    model.export_to_xml()
+    openmc.lib.init()
+    particles = openmc.lib.sample_external_source(1000)
+
+    # Make sure that all sampled sources are within one of the spheres
+    joint_region = cell1.region | cell2.region
+    for p in particles:
+        assert p.r in joint_region
+
+    openmc.lib.finalize()

From 18337073f4d9e235cd443dca7d017fef34365bd6 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Mon, 26 Sep 2022 14:26:05 -0500
Subject: [PATCH 1019/2654] Fix name change on mat_to_ind, nuc_to_ind

---
 openmc/deplete/openmc_operator.py             |  2 +-
 openmc/deplete/results.py                     |  4 ++--
 .../deplete_no_transport/test.py              | 20 +++++++++----------
 .../deplete_with_transport/test.py            | 20 +++++++++----------
 4 files changed, 23 insertions(+), 23 deletions(-)

diff --git a/openmc/deplete/openmc_operator.py b/openmc/deplete/openmc_operator.py
index ca1516803..fd9e66524 100644
--- a/openmc/deplete/openmc_operator.py
+++ b/openmc/deplete/openmc_operator.py
@@ -334,7 +334,7 @@ class OpenMCOperator(TransportOperator):
         mat_id = str(mat.id)
 
         # Get nuclide lists from geometry and depletion results
-        depl_nuc = prev_res[-1].nuc_to_ind
+        depl_nuc = prev_res[-1].index_nuc
         geom_nuc_densities = mat.get_nuclide_atom_densities()
 
         # Merge lists of nuclides, with the same order for every calculation
diff --git a/openmc/deplete/results.py b/openmc/deplete/results.py
index b2c8e7733..d9aa52b79 100644
--- a/openmc/deplete/results.py
+++ b/openmc/deplete/results.py
@@ -435,7 +435,7 @@ class Results(list):
         # results, and save them to the new depleted xml file.
         for mat in mat_file:
             mat_id = str(mat.id)
-            if mat_id in result.mat_to_ind:
+            if mat_id in result.index_mat:
                 mat.volume = result.volume[mat_id]
 
                 # Change density of all nuclides in material to atom/b-cm
@@ -447,7 +447,7 @@ class Results(list):
 
                 # For nuclides in chain that have cross sections, replace
                 # density in original material with new density from results
-                for nuc in result.nuc_to_ind:
+                for nuc in result.index_nuc:
                     if nuc not in available_cross_sections:
                         continue
                     atoms = result[0, mat_id, nuc]
diff --git a/tests/regression_tests/deplete_no_transport/test.py b/tests/regression_tests/deplete_no_transport/test.py
index f5ee4bf1d..384653ff7 100644
--- a/tests/regression_tests/deplete_no_transport/test.py
+++ b/tests/regression_tests/deplete_no_transport/test.py
@@ -161,23 +161,23 @@ def _create_operator(from_nuclides,
     return op
 
 def _assert_same_mats(res_ref, res_test):
-    for mat in res_ref[0].mat_to_ind:
-            assert mat in res_test[0].mat_to_ind, \
+    for mat in res_ref[0].index_mat:
+            assert mat in res_test[0].index_mat, \
                 "Material {} not in new results.".format(mat)
-    for nuc in res_ref[0].nuc_to_ind:
-        assert nuc in res_test[0].nuc_to_ind, \
+    for nuc in res_ref[0].index_nuc:
+        assert nuc in res_test[0].index_nuc, \
             "Nuclide {} not in new results.".format(nuc)
 
-    for mat in res_test[0].mat_to_ind:
-        assert mat in res_ref[0].mat_to_ind, \
+    for mat in res_test[0].index_mat:
+        assert mat in res_ref[0].index_mat, \
             "Material {} not in old results.".format(mat)
-    for nuc in res_test[0].nuc_to_ind:
-        assert nuc in res_ref[0].nuc_to_ind, \
+    for nuc in res_test[0].index_nuc:
+        assert nuc in res_ref[0].index_nuc, \
             "Nuclide {} not in old results.".format(nuc)
 
 def _assert_atoms_equal(res_ref, res_test, tol):
-    for mat in res_test[0].mat_to_ind:
-        for nuc in res_test[0].nuc_to_ind:
+    for mat in res_test[0].index_mat:
+        for nuc in res_test[0].index_nuc:
             _, y_test = res_test.get_atoms(mat, nuc)
             _, y_old = res_ref.get_atoms(mat, nuc)
 
diff --git a/tests/regression_tests/deplete_with_transport/test.py b/tests/regression_tests/deplete_with_transport/test.py
index 58065035f..9b37e4351 100644
--- a/tests/regression_tests/deplete_with_transport/test.py
+++ b/tests/regression_tests/deplete_with_transport/test.py
@@ -81,23 +81,23 @@ def test_full(run_in_tmpdir, problem, multiproc):
     res_ref = openmc.deplete.Results(path_reference)
 
     # Assert same mats
-    for mat in res_ref[0].mat_to_ind:
-        assert mat in res_test[0].mat_to_ind, \
+    for mat in res_ref[0].index_mat:
+        assert mat in res_test[0].index_mat, \
             "Material {} not in new results.".format(mat)
-    for nuc in res_ref[0].nuc_to_ind:
-        assert nuc in res_test[0].nuc_to_ind, \
+    for nuc in res_ref[0].index_nuc:
+        assert nuc in res_test[0].index_nuc, \
             "Nuclide {} not in new results.".format(nuc)
 
-    for mat in res_test[0].mat_to_ind:
-        assert mat in res_ref[0].mat_to_ind, \
+    for mat in res_test[0].index_mat:
+        assert mat in res_ref[0].index_mat, \
             "Material {} not in old results.".format(mat)
-    for nuc in res_test[0].nuc_to_ind:
-        assert nuc in res_ref[0].nuc_to_ind, \
+    for nuc in res_test[0].index_nuc:
+        assert nuc in res_ref[0].index_nuc, \
             "Nuclide {} not in old results.".format(nuc)
 
     tol = 1.0e-6
-    for mat in res_test[0].mat_to_ind:
-        for nuc in res_test[0].nuc_to_ind:
+    for mat in res_test[0].index_mat:
+        for nuc in res_test[0].index_nuc:
             _, y_test = res_test.get_atoms(mat, nuc)
             _, y_old = res_ref.get_atoms(mat, nuc)
 

From e31576fc097f2d8c7b08790794eae6709a7e6e0f Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Tue, 27 Sep 2022 13:46:33 +0100
Subject: [PATCH 1020/2654] moved doc string to class attributes

---
 openmc/universe.py | 17 +++++------------
 1 file changed, 5 insertions(+), 12 deletions(-)

diff --git a/openmc/universe.py b/openmc/universe.py
index 34618a70a..2ca4ad388 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -647,6 +647,11 @@ class DAGMCUniverse(UniverseBase):
     bounding_box : 2-tuple of numpy.array
         Lower-left and upper-right coordinates of an axis-aligned bounding box
         of the universe.
+    material_name : list of str
+        Return a sorted list of materials names that are contained within the
+        DAGMC h5m file. This is useful when naming openmc.Material() objects
+        as each material name present in the DAGMC h5m file must have a
+        matching openmc.Material() with the same name.
 
         .. versionadded:: 0.13.1
     """
@@ -701,18 +706,6 @@ class DAGMCUniverse(UniverseBase):
 
     @property
     def material_names(self):
-        """Return the names of the materials that are contained within the
-         DAGMC h5m file. This is useful when naming openmc.Material() objects
-         as each material name present in the DAGMC h5m file must have a
-         matching openmc.Material() with the same name.
-
-        Returns
-        -------
-        materials : list of str
-            Sorted list of material names present in the DAGMC h5m file
-
-        """
-
         dagmc_file_contents = h5py.File(self.filename)
         material_tags_hex=dagmc_file_contents['/tstt/tags/NAME'].get('values')
         material_tags_ascii=[]

From 663deb2761dddb11378407f3d2355ec8c42c57c0 Mon Sep 17 00:00:00 2001
From: Olek <45364492+yardasol@users.noreply.github.com>
Date: Tue, 27 Sep 2022 11:26:41 -0500
Subject: [PATCH 1021/2654] Add flow control to differentiate indident neutron
 from thermal scattering data

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 scripts/openmc-ace-to-hdf5 | 5 ++++-
 1 file changed, 4 insertions(+), 1 deletion(-)

diff --git a/scripts/openmc-ace-to-hdf5 b/scripts/openmc-ace-to-hdf5
index 75948e012..66ae7e2a9 100755
--- a/scripts/openmc-ace-to-hdf5
+++ b/scripts/openmc-ace-to-hdf5
@@ -92,7 +92,10 @@ def ace_to_hdf5(destination, xsdir, xsdata, libraries, metastable, libver):
                 # Add data for new temperature
                 try:
                     print(f"Converting {table.name} (ACE) to {data.name} (HDF5)")
-                    data.add_temperature_from_ace(table)
+                    if table.data_type == TableType.NEUTRON_CONTINUOUS:
+                        data.add_temperature_from_ace(table, metastable)
+                    else:
+                        data.add_temperature_from_ace(table)
                 except Exception as e:
                     print(f"Failed to convert {table.name}: {e}")
                     continue

From 7815a5e02d9baa1a076b926242aa6a02b5ba4834 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 28 Sep 2022 09:31:12 -0500
Subject: [PATCH 1022/2654] Address @shimwell comments on #2234

---
 docs/source/pythonapi/data.rst      |  2 +-
 openmc/config.py                    |  6 +++---
 openmc/data/decay.py                | 17 +++++++++++------
 openmc/material.py                  |  6 +++---
 tests/chain_simple.xml              |  4 ++--
 tests/unit_tests/test_data_decay.py | 11 ++++++++---
 tests/unit_tests/test_material.py   | 19 ++++++++++++-------
 7 files changed, 40 insertions(+), 25 deletions(-)

diff --git a/docs/source/pythonapi/data.rst b/docs/source/pythonapi/data.rst
index 2ee08c7f5..55289864f 100644
--- a/docs/source/pythonapi/data.rst
+++ b/docs/source/pythonapi/data.rst
@@ -63,7 +63,7 @@ Core Functions
     atomic_weight
     combine_distributions
     decay_constant
-    decay_photon_source
+    decay_photon_energy
     dose_coefficients
     gnd_name
     half_life
diff --git a/openmc/config.py b/openmc/config.py
index 3c031ee7d..087a8c27e 100644
--- a/openmc/config.py
+++ b/openmc/config.py
@@ -4,7 +4,7 @@ from pathlib import Path
 import warnings
 
 from openmc.data import DataLibrary
-from openmc.data.decay import _DECAY_PHOTON_SOURCE
+from openmc.data.decay import _DECAY_PHOTON_ENERGY
 
 __all__ = ["config"]
 
@@ -26,7 +26,7 @@ class _Config(MutableMapping):
         elif key == 'chain_file':
             del os.environ['OPENMC_CHAIN_FILE']
             # Reset photon source data since it relies on chain file
-            _DECAY_PHOTON_SOURCE.clear()
+            _DECAY_PHOTON_ENERGY.clear()
 
     def __setitem__(self, key, value):
         if key == 'cross_sections':
@@ -40,7 +40,7 @@ class _Config(MutableMapping):
             self._set_path(key, value)
             os.environ['OPENMC_CHAIN_FILE'] = str(value)
             # Reset photon source data since it relies on chain file
-            _DECAY_PHOTON_SOURCE.clear()
+            _DECAY_PHOTON_ENERGY.clear()
         else:
             raise KeyError(f'Unrecognized config key: {key}')
 
diff --git a/openmc/data/decay.py b/openmc/data/decay.py
index eafa84f66..6672add3b 100644
--- a/openmc/data/decay.py
+++ b/openmc/data/decay.py
@@ -576,11 +576,11 @@ class Decay(EqualityMixin):
         return self._sources
 
 
-_DECAY_PHOTON_SOURCE = {}
+_DECAY_PHOTON_ENERGY = {}
 
 
-def decay_photon_source(nuclide: str) -> Univariate:
-    """Get photon source from the decay of a nuclide
+def decay_photon_energy(nuclide: str) -> Univariate:
+    """Get photon energy distribution resulting from the decay of a nuclide
 
     This function relies on data stored in a depletion chain. Before calling it
     for the first time, you need to ensure that a depletion chain has been
@@ -598,7 +598,7 @@ def decay_photon_source(nuclide: str) -> Univariate:
     openmc.stats.Univariate
         Distribution of energies in [eV] of photons emitted from decay
     """
-    if not _DECAY_PHOTON_SOURCE:
+    if not _DECAY_PHOTON_ENERGY:
         chain_file = openmc.config.get('chain_file')
         if chain_file is None:
             raise DataError(
@@ -610,6 +610,11 @@ def decay_photon_source(nuclide: str) -> Univariate:
         chain = Chain.from_xml(chain_file)
         for nuc in chain.nuclides:
             if 'photon' in nuc.sources:
-                _DECAY_PHOTON_SOURCE[nuc.name] = nuc.sources['photon']
+                _DECAY_PHOTON_ENERGY[nuc.name] = nuc.sources['photon']
 
-    return _DECAY_PHOTON_SOURCE.get(nuclide)
+        # If the chain file contained no sources at all, warn the user
+        if not _DECAY_PHOTON_ENERGY:
+            warn(f"Chain file '{chain_file}' does not have any decay photon "
+                 "sources listed.")
+
+    return _DECAY_PHOTON_ENERGY.get(nuclide)
diff --git a/openmc/material.py b/openmc/material.py
index 53bf676d5..52978dbbe 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -92,7 +92,7 @@ class Material(IDManagerMixin):
     fissionable_mass : float
         Mass of fissionable nuclides in the material in [g]. Requires that the
         :attr:`volume` attribute is set.
-    decay_photon_source : openmc.stats.Univariate
+    decay_photon_energy : openmc.stats.Univariate
         Energy distribution of photons emitted from decay of unstable nuclides
         within the material. The integral of this distribution is the total
         intensity of the photon source.
@@ -264,12 +264,12 @@ class Material(IDManagerMixin):
         return density*self.volume
 
     @property
-    def decay_photon_source(self) -> Univariate:
+    def decay_photon_energy(self) -> Univariate:
         atoms = self.get_nuclide_atoms()
         dists = []
         probs = []
         for nuc, num_atoms in atoms.items():
-            source_per_atom = openmc.data.decay_photon_source(nuc)
+            source_per_atom = openmc.data.decay_photon_energy(nuc)
             if source_per_atom is not None:
                 dists.append(source_per_atom)
                 probs.append(num_atoms)
diff --git a/tests/chain_simple.xml b/tests/chain_simple.xml
index ba42b5542..28c5739c9 100644
--- a/tests/chain_simple.xml
+++ b/tests/chain_simple.xml
@@ -10,8 +10,8 @@
   <nuclide name="Xe135" decay_modes="1" reactions="1" half_life="3.29040E+04">
     <decay type=" beta" target="Cs135" branching_ratio="1.0" />
     <reaction type="(n,gamma)" Q="0.0" target="Xe136" />
-    <source type="discrete" particle="photon">
-      <parameters>3860.681 4271.629 4683.641 5336.674 30621.8 30978.9 34925.5 34994.3 35237.3 35252.0 35803.0 35817.2 35899.4 35901.8 158197.0 200190.0 249794.0 358390.0 373130.0 407990.0 454200.0 573320.0 608185.0 654432.0 731520.0 812630.0 1062410.0 7.994251137825248e-09 6.327910906791491e-08 5.1272731446173495e-08 7.363690277270275e-09 3.054968676386751e-07 5.64321319541835e-07 5.347473347583344e-08 1.0365225698627538e-07 5.533995748532528e-10 7.536429363113684e-10 1.1251670022820477e-08 2.1931143930358873e-08 1.0789862609689208e-10 1.4667031416354672e-10 6.085892914653786e-08 2.4646918345949914e-09 1.895916795842301e-05 4.644996149813638e-08 3.223058552931912e-09 7.545748847452359e-08 7.583667183369205e-10 1.0048359017964195e-09 6.10485208261221e-07 9.479583979211505e-09 1.1565092454638037e-08 1.478815100756995e-08 8.531625581290355e-10</parameters>
+    <source type="tabular" interpolation="histogram" particle="photon">
+      <parameters>0.0 10000.0 20000.0 50000.0 100000.0 200000.0 300000.0 400000.0 600000.0 800000.0 1000000.0 1220000.0 1.1612176249914943e-11 0.0 3.1976524142990123e-11 0.0 6.418466676129901e-13 1.894551923065874e-10 5.099949011192198e-13 3.170644340540729e-13 2.756798470867507e-12 6.67627508515641e-14 3.711746246444946e-15 0.0</parameters>
     </source>
   </nuclide>
   <nuclide name="Xe136" decay_modes="0" reactions="0" />
diff --git a/tests/unit_tests/test_data_decay.py b/tests/unit_tests/test_data_decay.py
index e658c16d3..8900e7eac 100644
--- a/tests/unit_tests/test_data_decay.py
+++ b/tests/unit_tests/test_data_decay.py
@@ -129,18 +129,23 @@ def test_sources(ba137m, nb90):
     assert len(set(sources.keys()) ^ {'positron', 'electron', 'photon'}) == 0
 
 
-def test_decay_photon_source():
+def test_decay_photon_energy():
     # If chain file is not set, we should get a data error
     if 'chain_file' in openmc.config:
         del openmc.config['chain_file']
     with pytest.raises(DataError):
-        openmc.data.decay_photon_source('135')
+        openmc.data.decay_photon_energy('I135')
 
     # Set chain file to simple chain
     openmc.config['chain_file'] = Path(__file__).parents[1] / "chain_simple.xml"
 
     # Check strength of I135 source and presence of specific spectral line
-    src = openmc.data.decay_photon_source('I135')
+    src = openmc.data.decay_photon_energy('I135')
     assert isinstance(src, openmc.stats.Discrete)
     assert src.integral() == pytest.approx(3.920996223799345e-05)
     assert 1260409. in src.x
+
+    # Check Xe135 source, which should be tabular
+    src = openmc.data.decay_photon_energy('Xe135')
+    assert isinstance(src, openmc.stats.Tabular)
+    assert src.integral() == pytest.approx(2.076506258964966e-05)
diff --git a/tests/unit_tests/test_material.py b/tests/unit_tests/test_material.py
index 352017c8d..58df246dd 100644
--- a/tests/unit_tests/test_material.py
+++ b/tests/unit_tests/test_material.py
@@ -4,7 +4,7 @@ from pathlib import Path
 import pytest
 
 import openmc
-from openmc.data import decay_photon_source
+from openmc.data import decay_photon_energy
 import openmc.examples
 import openmc.model
 import openmc.stats
@@ -545,26 +545,31 @@ def test_get_activity():
     assert pytest.approx(m4.get_activity(units='Bq')) == 355978108155965.94*3/2*10 # [Bq]
 
 
-def test_decay_photon_source():
+def test_decay_photon_energy():
     # Set chain file for testing
     openmc.config['chain_file'] = Path(__file__).parents[1] / 'chain_simple.xml'
 
-    # Material representing single atom of I135, Xe135, and Cs135
+    # Material representing single atom of I135 and Cs135
     m = openmc.Material()
     m.add_nuclide('I135', 1.0e-24)
-    m.add_nuclide('Xe135', 1.0e-24)
     m.add_nuclide('Cs135', 1.0e-24)
     m.volume = 1.0
 
     # Get decay photon source and make sure it's the right type
-    src = m.decay_photon_source
+    src = m.decay_photon_energy
     assert isinstance(src, openmc.stats.Discrete)
 
+    # If we add Xe135 (which has a tabular distribution), the photon source
+    # should be a mixture distribution
+    m.add_nuclide('Xe135', 1.0e-24)
+    src = m.decay_photon_energy
+    assert isinstance(src, openmc.stats.Mixture)
+
     # With a single atom of each, the intensity of the photon source should be
-    # equal to sum(I*λ)
+    # equal to the sum of the intensities for each nuclide
     def intensity(src):
         return src.integral() if src is not None else 0.0
 
     assert src.integral() == pytest.approx(sum(
-        intensity(decay_photon_source(nuc)) for nuc in m.get_nuclides()
+        intensity(decay_photon_energy(nuc)) for nuc in m.get_nuclides()
     ))

From e0be9de08625b00fe0f764a505612a5268c1ecec Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 28 Sep 2022 09:33:48 -0500
Subject: [PATCH 1023/2654] Apply @shimwell suggestions from code review

Co-authored-by: Jonathan Shimwell <drshimwell@gmail.com>
---
 tests/unit_tests/test_source.py | 4 +++-
 1 file changed, 3 insertions(+), 1 deletion(-)

diff --git a/tests/unit_tests/test_source.py b/tests/unit_tests/test_source.py
index 7558d8238..ca3ee7f55 100644
--- a/tests/unit_tests/test_source.py
+++ b/tests/unit_tests/test_source.py
@@ -110,7 +110,8 @@ def test_rejection(run_in_tmpdir):
     )
     cell1 = openmc.Cell(fill=mat, region=-sph1)
     cell2 = openmc.Cell(fill=mat, region=-sph2)
-    cell3 = openmc.Cell(region=+sph1 & +sph2 & -cube)
+    non_source_region = +sph1 & +sph2 & -cube
+    cell3 = openmc.Cell(region=non_source_region)
     model = openmc.Model()
     model.geometry = openmc.Geometry([cell1, cell2, cell3])
     model.settings.particles = 100
@@ -130,5 +131,6 @@ def test_rejection(run_in_tmpdir):
     joint_region = cell1.region | cell2.region
     for p in particles:
         assert p.r in joint_region
+       assert p.r not in non_source_region
 
     openmc.lib.finalize()

From 2b401bc1f1229b0b594bd9e60900134934e3d3ec Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 28 Sep 2022 10:26:13 -0500
Subject: [PATCH 1024/2654] Update tests/unit_tests/test_source.py

Co-authored-by: Jonathan Shimwell <drshimwell@gmail.com>
---
 tests/unit_tests/test_source.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/tests/unit_tests/test_source.py b/tests/unit_tests/test_source.py
index ca3ee7f55..1e4766b45 100644
--- a/tests/unit_tests/test_source.py
+++ b/tests/unit_tests/test_source.py
@@ -131,6 +131,6 @@ def test_rejection(run_in_tmpdir):
     joint_region = cell1.region | cell2.region
     for p in particles:
         assert p.r in joint_region
-       assert p.r not in non_source_region
+        assert p.r not in non_source_region
 
     openmc.lib.finalize()

From 10abbe910add1bcd42aa0ca425a55e5fc1ced52c Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 28 Sep 2022 13:25:00 -0500
Subject: [PATCH 1025/2654] Clarify probability units for decay_photon_energy

---
 openmc/data/decay.py | 3 ++-
 openmc/material.py   | 2 +-
 2 files changed, 3 insertions(+), 2 deletions(-)

diff --git a/openmc/data/decay.py b/openmc/data/decay.py
index 6672add3b..d7ededf33 100644
--- a/openmc/data/decay.py
+++ b/openmc/data/decay.py
@@ -596,7 +596,8 @@ def decay_photon_energy(nuclide: str) -> Univariate:
     Returns
     -------
     openmc.stats.Univariate
-        Distribution of energies in [eV] of photons emitted from decay
+        Distribution of energies in [eV] of photons emitted from decay. Note
+        that the probabilities represent intensities, given as [decay/sec].
     """
     if not _DECAY_PHOTON_ENERGY:
         chain_file = openmc.config.get('chain_file')
diff --git a/openmc/material.py b/openmc/material.py
index 52978dbbe..16b5a3048 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -95,7 +95,7 @@ class Material(IDManagerMixin):
     decay_photon_energy : openmc.stats.Univariate
         Energy distribution of photons emitted from decay of unstable nuclides
         within the material. The integral of this distribution is the total
-        intensity of the photon source.
+        intensity of the photon source in [decay/sec].
 
         .. versionadded:: 0.14.0
 

From fe90b8e22063b7c3ca309d60ebb8996b1c8dbd2c Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 29 Sep 2022 15:23:00 -0500
Subject: [PATCH 1026/2654] Adding properties for number of DAGMC
 cells/surfaces

---
 openmc/universe.py             | 40 ++++++++++++++++++++++++++++++++++
 tests/unit_tests/dagmc/test.py |  8 +++++++
 2 files changed, 48 insertions(+)

diff --git a/openmc/universe.py b/openmc/universe.py
index 2ca4ad388..6b5e777ec 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -730,6 +730,46 @@ class DAGMCUniverse(UniverseBase):
     def get_all_materials(self, memo=None):
         return OrderedDict()
 
+    def _n_geom_elements(self, geom_type):
+        """
+        Helper function for retrieving the number geometric entities in a DAGMC
+        file
+
+        Parameters
+        ----------
+
+        geom_type : str
+            The type of geometric entity to count. One of {'Volume', 'Surface'}. Returns
+            the runtime number of voumes in the DAGMC model (includes implicit complement).
+        """
+        cv.check_value('geometry type', geom_type, ('volume', 'surface'))
+
+        def decode_str_tag(tag_val):
+            return tag_val.tobytes().decode().replace('\x00', '')
+
+        with h5py.File(self.filename) as dagmc_file:
+            category_data = dagmc_file['tstt/tags/CATEGORY/values']
+            category_strs = map(decode_str_tag, category_data)
+            # add one assuming implicit complement doesn't exist
+            n = sum([v == geom_type.capitalize() for v in category_strs])
+
+            # check for presence of an implicit complement in the file and
+            # increment the number of cells if it doesn't exist
+            if geom_type == 'volume':
+                name_data = dagmc_file['tstt/tags/NAME/values']
+                name_strs = map(decode_str_tag, name_data)
+                if not sum(['impl_complement' in n for n in name_strs]):
+                    n += 1
+        return n
+
+    @property
+    def n_cells(self):
+        return self._n_geom_elements('volume')
+
+    @property
+    def n_surfaces(self):
+        return self._n_geom_elements('surface')
+
     def create_xml_subelement(self, xml_element, memo=None):
         if memo and self in memo:
             return
diff --git a/tests/unit_tests/dagmc/test.py b/tests/unit_tests/dagmc/test.py
index b3e2c390f..352fe8895 100644
--- a/tests/unit_tests/dagmc/test.py
+++ b/tests/unit_tests/dagmc/test.py
@@ -33,6 +33,14 @@ def dagmc_model(request):
     dagmc_universe = openmc.DAGMCUniverse('dagmc.h5m')
     model.geometry = openmc.Geometry(dagmc_universe)
 
+    # check number of surfaces and volumes for this pincell model there should
+    # be 5 volumes: two fuel regions, water, graveyard, implicit complement (the
+    # implicit complement cell is created automatically at runtime)
+    # and 21 surfaces: 3 cylinders (9 surfaces) and a bounding cubic shell
+    # (12 surfaces)
+    assert dagmc_universe.n_cells == 5
+    assert dagmc_universe.n_surfaces == 21
+
     # tally
     tally = openmc.Tally()
     tally.scores = ['total']

From a0a5afcbca47b8429ba058caa23ee8619cca59ba Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 29 Sep 2022 15:34:27 -0500
Subject: [PATCH 1027/2654] Formatting and docstrs.

---
 openmc/universe.py | 28 +++++++++++++++++++---------
 1 file changed, 19 insertions(+), 9 deletions(-)

diff --git a/openmc/universe.py b/openmc/universe.py
index 6b5e777ec..b3a5cf14b 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -624,11 +624,11 @@ class DAGMCUniverse(UniverseBase):
     name : str, optional
         Name of the universe. If not specified, the name is the empty string.
     auto_geom_ids : bool
-        Set IDs automatically on initialization (True) or report overlaps
-        in ID space between CSG and DAGMC (False)
+        Set IDs automatically on initialization (True) or report overlaps in ID
+        space between CSG and DAGMC (False)
     auto_mat_ids : bool
-        Set IDs automatically on initialization (True)  or report overlaps
-        in ID space between OpenMC and UWUW materials (False)
+        Set IDs automatically on initialization (True)  or report overlaps in ID
+        space between OpenMC and UWUW materials (False)
 
     Attributes
     ----------
@@ -639,11 +639,11 @@ class DAGMCUniverse(UniverseBase):
     filename : str
         Path to the DAGMC file used to represent this universe.
     auto_geom_ids : bool
-        Set IDs automatically on initialization (True) or report overlaps
-        in ID space between CSG and DAGMC (False)
+        Set IDs automatically on initialization (True) or report overlaps in ID
+        space between CSG and DAGMC (False)
     auto_mat_ids : bool
-        Set IDs automatically on initialization (True)  or report overlaps
-        in ID space between OpenMC and UWUW materials (False)
+        Set IDs automatically on initialization (True)  or report overlaps in ID
+        space between OpenMC and UWUW materials (False)
     bounding_box : 2-tuple of numpy.array
         Lower-left and upper-right coordinates of an axis-aligned bounding box
         of the universe.
@@ -652,6 +652,12 @@ class DAGMCUniverse(UniverseBase):
         DAGMC h5m file. This is useful when naming openmc.Material() objects
         as each material name present in the DAGMC h5m file must have a
         matching openmc.Material() with the same name.
+    n_cells : int
+        The number of cells in the DAGMC model. This is the number of cells at
+        runtime and accounts for the implicit complement volume if it isn't
+        present in the DAGMC file.
+    n_surfaces : int
+        The number of surfaces in the model.
 
         .. versionadded:: 0.13.1
     """
@@ -737,10 +743,14 @@ class DAGMCUniverse(UniverseBase):
 
         Parameters
         ----------
-
         geom_type : str
             The type of geometric entity to count. One of {'Volume', 'Surface'}. Returns
             the runtime number of voumes in the DAGMC model (includes implicit complement).
+
+        Returns
+        -------
+        int
+            Number of geometry elements of the specified type
         """
         cv.check_value('geometry type', geom_type, ('volume', 'surface'))
 

From f038225abe66ae35c6441b59bbf0d55e9a256b83 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 29 Sep 2022 16:04:31 -0500
Subject: [PATCH 1028/2654] Update openmc/universe.py

Co-authored-by: Jonathan Shimwell <drshimwell@gmail.com>
---
 openmc/universe.py | 1 -
 1 file changed, 1 deletion(-)

diff --git a/openmc/universe.py b/openmc/universe.py
index b3a5cf14b..3082a0c12 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -760,7 +760,6 @@ class DAGMCUniverse(UniverseBase):
         with h5py.File(self.filename) as dagmc_file:
             category_data = dagmc_file['tstt/tags/CATEGORY/values']
             category_strs = map(decode_str_tag, category_data)
-            # add one assuming implicit complement doesn't exist
             n = sum([v == geom_type.capitalize() for v in category_strs])
 
             # check for presence of an implicit complement in the file and

From ebf6e24bcf5c3e787ea5dd24a75a3e451494ea22 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 29 Sep 2022 21:19:41 -0500
Subject: [PATCH 1029/2654] Resolving symlink paths

---
 openmc/universe.py | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/openmc/universe.py b/openmc/universe.py
index 3082a0c12..f17180965 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -757,7 +757,8 @@ class DAGMCUniverse(UniverseBase):
         def decode_str_tag(tag_val):
             return tag_val.tobytes().decode().replace('\x00', '')
 
-        with h5py.File(self.filename) as dagmc_file:
+        dagmc_filepath = Path(self.filename).resolve()
+        with h5py.File(dagmc_filepath) as dagmc_file:
             category_data = dagmc_file['tstt/tags/CATEGORY/values']
             category_strs = map(decode_str_tag, category_data)
             n = sum([v == geom_type.capitalize() for v in category_strs])

From 0dd3fff562c317cd8cd601fa89ae67b500941b02 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 29 Sep 2022 22:02:37 -0500
Subject: [PATCH 1030/2654] Improve docstring

---
 openmc/universe.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/universe.py b/openmc/universe.py
index f17180965..a326ca812 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -654,7 +654,7 @@ class DAGMCUniverse(UniverseBase):
         matching openmc.Material() with the same name.
     n_cells : int
         The number of cells in the DAGMC model. This is the number of cells at
-        runtime and accounts for the implicit complement volume if it isn't
+        runtime and accounts for the implicit complement whether or not is it
         present in the DAGMC file.
     n_surfaces : int
         The number of surfaces in the model.

From ed24b2343a1afa7488673230b3a49eecaaeb47b5 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 29 Sep 2022 22:05:23 -0500
Subject: [PATCH 1031/2654] typo fix

---
 openmc/universe.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/universe.py b/openmc/universe.py
index a326ca812..0c8a26a48 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -647,7 +647,7 @@ class DAGMCUniverse(UniverseBase):
     bounding_box : 2-tuple of numpy.array
         Lower-left and upper-right coordinates of an axis-aligned bounding box
         of the universe.
-    material_name : list of str
+    material_names : list of str
         Return a sorted list of materials names that are contained within the
         DAGMC h5m file. This is useful when naming openmc.Material() objects
         as each material name present in the DAGMC h5m file must have a

From f289123394e4245178ed5e0d7bc1d9788f2dcffd Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Fri, 30 Sep 2022 14:58:28 +0100
Subject: [PATCH 1032/2654] added *h.in files

---
 MANIFEST.in | 1 +
 1 file changed, 1 insertion(+)

diff --git a/MANIFEST.in b/MANIFEST.in
index d59628325..afd016cb0 100644
--- a/MANIFEST.in
+++ b/MANIFEST.in
@@ -23,6 +23,7 @@ recursive-include examples *.cpp
 recursive-include examples *.py
 recursive-include examples *.xml
 recursive-include include *.h
+recursive-include include *.h.in
 recursive-include include *.hh
 recursive-include man *.1
 recursive-include openmc *.pyx

From d96c3673319ec2c1fafd2bfaeb3cbfbddd1ab425 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 30 Sep 2022 12:53:19 -0500
Subject: [PATCH 1033/2654] Using pytest request path to specify dagmc file

---
 tests/unit_tests/dagmc/test.py | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/tests/unit_tests/dagmc/test.py b/tests/unit_tests/dagmc/test.py
index 352fe8895..41e9c0828 100644
--- a/tests/unit_tests/dagmc/test.py
+++ b/tests/unit_tests/dagmc/test.py
@@ -30,7 +30,8 @@ def dagmc_model(request):
     model.settings.source = source
 
     # geometry
-    dagmc_universe = openmc.DAGMCUniverse('dagmc.h5m')
+    dagmc_file = Path(request.fspath).parent / 'dagmc.h5m'
+    dagmc_universe = openmc.DAGMCUniverse(dagmc_file)
     model.geometry = openmc.Geometry(dagmc_universe)
 
     # check number of surfaces and volumes for this pincell model there should

From 6719aa218e78ea0e637b278259db37dc570c8b52 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 30 Sep 2022 13:30:23 -0500
Subject: [PATCH 1034/2654] Update openmc/deplete/nuclide.py per @pshriwise
 suggestion

Co-authored-by: Patrick Shriwise <pshriwise@gmail.com>
---
 openmc/deplete/nuclide.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/deplete/nuclide.py b/openmc/deplete/nuclide.py
index 250861985..b84b91a7f 100644
--- a/openmc/deplete/nuclide.py
+++ b/openmc/deplete/nuclide.py
@@ -321,7 +321,7 @@ class Nuclide:
                 # TODO: Ugly hack to deal with the fact that
                 # 'source.to_xml_element' will return an xml.etree object
                 # whereas here lxml is being used preferentially. We should just
-                # switch to use lxml everywhere,
+                # switch to use lxml everywhere
                 import xml.etree.ElementTree as etree
                 src_elem_xmletree = source.to_xml_element('source')
                 src_elem = ET.fromstring(etree.tostring(src_elem_xmletree))

From 5d441251fc9b924ff0038290e63ffb34d5d9a560 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 30 Sep 2022 13:56:01 -0500
Subject: [PATCH 1035/2654] Apply @pshriwise suggestions from code review

Co-authored-by: Patrick Shriwise <pshriwise@gmail.com>
---
 src/source.cpp | 9 ++-------
 1 file changed, 2 insertions(+), 7 deletions(-)

diff --git a/src/source.cpp b/src/source.cpp
index e443c49e6..fc50115cd 100644
--- a/src/source.cpp
+++ b/src/source.cpp
@@ -217,19 +217,14 @@ SourceSite IndependentSource::sample(uint64_t* seed) const
         if (domain_type_ == DomainType::MATERIAL) {
           auto mat_index = p.material();
           if (mat_index != MATERIAL_VOID) {
-            if (contains(domain_ids_, model::materials[mat_index]->id())) {
-              found = true;
-            }
+            found = contains(domain_ids_, model::materials[mat_index]->id());
           }
         } else {
           for (const auto& coord : p.coord()) {
             auto id = (domain_type_ == DomainType::CELL)
                         ? model::cells[coord.cell]->id_
                         : model::universes[coord.universe]->id_;
-            if (contains(domain_ids_, id)) {
-              found = true;
-              break;
-            }
+            if (found = contains(domain_ids_, id)) break;
           }
         }
       }

From 9c13e85dc2c76641723085452a5a92c85a1cc14c Mon Sep 17 00:00:00 2001
From: Ethan Peterson <ethan.peterson@mit.edu>
Date: Sat, 1 Oct 2022 09:22:57 -0400
Subject: [PATCH 1036/2654] fix wwinp reader

---
 openmc/weight_windows.py | 11 +++++++----
 1 file changed, 7 insertions(+), 4 deletions(-)

diff --git a/openmc/weight_windows.py b/openmc/weight_windows.py
index 9183bb08b..eb30e838a 100644
--- a/openmc/weight_windows.py
+++ b/openmc/weight_windows.py
@@ -560,10 +560,13 @@ def wwinp_to_wws(path):
         end_idx = start_idx + (nfx * nfy * nfz) * nt_i * ne_i
 
         # read values and reshape according to ordering
-        # slowest to fastest: z, y, x, e
-        ww_values = ww_data[start_idx:end_idx].reshape(nfz, nfy, nfx, ne_i)
-        # swap z and x axes for correct shape and (ijk, e) mesh indexing
-        ww_values = np.swapaxes(ww_values, 2, 0)
+        # slowest to fastest: t, e, z, y, x
+        # reorder with transpose since our ordering is x, y, z, e, t
+        ww_shape = (nt_i, ne_i, nfz, nfy, nfx)
+        ww_values = ww_data[start_idx:end_idx].reshape(ww_shape).T
+        # Only use first time bin since we don't support time dependent weight
+        # windows yet.
+        ww_values = ww_values[:, :, :, :, 0]
         start_idx = end_idx
 
         # create a weight window object

From 6fe91efd056c1dce808137e9e9c392edfc3259ac Mon Sep 17 00:00:00 2001
From: Ethan Peterson <ethan.peterson@mit.edu>
Date: Sun, 2 Oct 2022 10:45:01 -0400
Subject: [PATCH 1037/2654] fixed wwinp reader tests

---
 tests/unit_tests/weightwindows/test_wwinp_reader.py | 8 +++++++-
 1 file changed, 7 insertions(+), 1 deletion(-)

diff --git a/tests/unit_tests/weightwindows/test_wwinp_reader.py b/tests/unit_tests/weightwindows/test_wwinp_reader.py
index 434a36753..437e588f6 100644
--- a/tests/unit_tests/weightwindows/test_wwinp_reader.py
+++ b/tests/unit_tests/weightwindows/test_wwinp_reader.py
@@ -118,7 +118,13 @@ def test_wwinp_reader(wwinp_data, request):
         # check the expected weight window values mocked in the file --
         # a reversed array of the flat index into the numpy array
         n_wws = np.prod((*mesh.dimension, e_bounds.size - 1))
-        exp_ww_lb = np.linspace(1, n_wws, n_wws)[::-1]
+        nx, ny, nz, ne = mesh.dimension + (e_bounds.size - 1,)
+        exp_ww_lb = np.linspace(1, n_wws, n_wws)[::-1].reshape(nx, ny, nz, ne)
+        # this is how the ww lower bounds were actually written to file
+        exp_ww_lb = np.swapaxes(exp_ww_lb, 0, 2).flatten()
+        # this is how we expect them to be read back in
+        exp_ww_lb = exp_ww_lb.reshape(ne, nz, ny, nx).T.flatten()
+
         np.testing.assert_array_equal(exp_ww_lb, ww.lower_ww_bounds.flatten())
 
 

From e11c42a7d5badf7d4490d653d763a14c15b7524c Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Sun, 2 Oct 2022 22:05:27 -0500
Subject: [PATCH 1038/2654] pathlib import

---
 tests/unit_tests/dagmc/test.py | 1 +
 1 file changed, 1 insertion(+)

diff --git a/tests/unit_tests/dagmc/test.py b/tests/unit_tests/dagmc/test.py
index 41e9c0828..072167e79 100644
--- a/tests/unit_tests/dagmc/test.py
+++ b/tests/unit_tests/dagmc/test.py
@@ -1,6 +1,7 @@
 import shutil
 
 import numpy as np
+from pathlib import Path
 import pytest
 
 import openmc

From 1a306c4c15b42d7e37f55e79052a4f85aaf2f004 Mon Sep 17 00:00:00 2001
From: Ethan Peterson <ethan.peterson@mit.edu>
Date: Mon, 3 Oct 2022 07:15:02 -0400
Subject: [PATCH 1039/2654] rewrote ww test files

---
 tests/unit_tests/weightwindows/wwinp_n  | 480 ++++++++++++------------
 tests/unit_tests/weightwindows/wwinp_np |  49 +--
 tests/unit_tests/weightwindows/wwinp_p  |  64 ++--
 3 files changed, 297 insertions(+), 296 deletions(-)

diff --git a/tests/unit_tests/weightwindows/wwinp_n b/tests/unit_tests/weightwindows/wwinp_n
index b9611e945..73a4fc496 100644
--- a/tests/unit_tests/weightwindows/wwinp_n
+++ b/tests/unit_tests/weightwindows/wwinp_n
@@ -20,244 +20,244 @@
   1.00000E+00  1.00000E+00  6.66667E+01  1.00000E+00  1.00000E+00  1.00000E+02
   1.00000E+00
   1.00000E-01  1.46780E-01
-  1.44000E+03  1.43900E+03  1.34400E+03  1.34300E+03  1.24800E+03  1.24700E+03
-  1.15200E+03  1.15100E+03  1.05600E+03  1.05500E+03  9.60000E+02  9.59000E+02
-  8.64000E+02  8.63000E+02  7.68000E+02  7.67000E+02  6.72000E+02  6.71000E+02
-  5.76000E+02  5.75000E+02  4.80000E+02  4.79000E+02  3.84000E+02  3.83000E+02
-  2.88000E+02  2.87000E+02  1.92000E+02  1.91000E+02  9.60000E+01  9.50000E+01
-  1.42800E+03  1.42700E+03  1.33200E+03  1.33100E+03  1.23600E+03  1.23500E+03
-  1.14000E+03  1.13900E+03  1.04400E+03  1.04300E+03  9.48000E+02  9.47000E+02
-  8.52000E+02  8.51000E+02  7.56000E+02  7.55000E+02  6.60000E+02  6.59000E+02
-  5.64000E+02  5.63000E+02  4.68000E+02  4.67000E+02  3.72000E+02  3.71000E+02
-  2.76000E+02  2.75000E+02  1.80000E+02  1.79000E+02  8.40000E+01  8.30000E+01
-  1.41600E+03  1.41500E+03  1.32000E+03  1.31900E+03  1.22400E+03  1.22300E+03
-  1.12800E+03  1.12700E+03  1.03200E+03  1.03100E+03  9.36000E+02  9.35000E+02
-  8.40000E+02  8.39000E+02  7.44000E+02  7.43000E+02  6.48000E+02  6.47000E+02
-  5.52000E+02  5.51000E+02  4.56000E+02  4.55000E+02  3.60000E+02  3.59000E+02
-  2.64000E+02  2.63000E+02  1.68000E+02  1.67000E+02  7.20000E+01  7.10000E+01
-  1.40400E+03  1.40300E+03  1.30800E+03  1.30700E+03  1.21200E+03  1.21100E+03
-  1.11600E+03  1.11500E+03  1.02000E+03  1.01900E+03  9.24000E+02  9.23000E+02
-  8.28000E+02  8.27000E+02  7.32000E+02  7.31000E+02  6.36000E+02  6.35000E+02
-  5.40000E+02  5.39000E+02  4.44000E+02  4.43000E+02  3.48000E+02  3.47000E+02
-  2.52000E+02  2.51000E+02  1.56000E+02  1.55000E+02  6.00000E+01  5.90000E+01
-  1.39200E+03  1.39100E+03  1.29600E+03  1.29500E+03  1.20000E+03  1.19900E+03
-  1.10400E+03  1.10300E+03  1.00800E+03  1.00700E+03  9.12000E+02  9.11000E+02
-  8.16000E+02  8.15000E+02  7.20000E+02  7.19000E+02  6.24000E+02  6.23000E+02
-  5.28000E+02  5.27000E+02  4.32000E+02  4.31000E+02  3.36000E+02  3.35000E+02
-  2.40000E+02  2.39000E+02  1.44000E+02  1.43000E+02  4.80000E+01  4.70000E+01
-  1.38000E+03  1.37900E+03  1.28400E+03  1.28300E+03  1.18800E+03  1.18700E+03
-  1.09200E+03  1.09100E+03  9.96000E+02  9.95000E+02  9.00000E+02  8.99000E+02
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+  7.83000E+02  6.87000E+02  5.91000E+02  4.95000E+02  3.99000E+02  3.03000E+02
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+  8.53000E+02  7.57000E+02  6.61000E+02  5.65000E+02  4.69000E+02  3.73000E+02
+  2.77000E+02  1.81000E+02  8.50000E+01  1.41700E+03  1.32100E+03  1.22500E+03
+  1.12900E+03  1.03300E+03  9.37000E+02  8.41000E+02  7.45000E+02  6.49000E+02
+  5.53000E+02  4.57000E+02  3.61000E+02  2.65000E+02  1.69000E+02  7.30000E+01
+  1.40500E+03  1.30900E+03  1.21300E+03  1.11700E+03  1.02100E+03  9.25000E+02
+  8.29000E+02  7.33000E+02  6.37000E+02  5.41000E+02  4.45000E+02  3.49000E+02
+  2.53000E+02  1.57000E+02  6.10000E+01  1.39300E+03  1.29700E+03  1.20100E+03
+  1.10500E+03  1.00900E+03  9.13000E+02  8.17000E+02  7.21000E+02  6.25000E+02
+  5.29000E+02  4.33000E+02  3.37000E+02  2.41000E+02  1.45000E+02  4.90000E+01
+  1.38100E+03  1.28500E+03  1.18900E+03  1.09300E+03  9.97000E+02  9.01000E+02
+  8.05000E+02  7.09000E+02  6.13000E+02  5.17000E+02  4.21000E+02  3.25000E+02
+  2.29000E+02  1.33000E+02  3.70000E+01  1.36900E+03  1.27300E+03  1.17700E+03
+  1.08100E+03  9.85000E+02  8.89000E+02  7.93000E+02  6.97000E+02  6.01000E+02
+  5.05000E+02  4.09000E+02  3.13000E+02  2.17000E+02  1.21000E+02  2.50000E+01
+  1.35700E+03  1.26100E+03  1.16500E+03  1.06900E+03  9.73000E+02  8.77000E+02
+  7.81000E+02  6.85000E+02  5.89000E+02  4.93000E+02  3.97000E+02  3.01000E+02
+  2.05000E+02  1.09000E+02  1.30000E+01  1.34500E+03  1.24900E+03  1.15300E+03
+  1.05700E+03  9.61000E+02  8.65000E+02  7.69000E+02  6.73000E+02  5.77000E+02
+  4.81000E+02  3.85000E+02  2.89000E+02  1.93000E+02  9.70000E+01  1.00000E+00
 
diff --git a/tests/unit_tests/weightwindows/wwinp_np b/tests/unit_tests/weightwindows/wwinp_np
index 6d77afc3e..ed2073cf9 100644
--- a/tests/unit_tests/weightwindows/wwinp_np
+++ b/tests/unit_tests/weightwindows/wwinp_np
@@ -13,30 +13,30 @@
   1.00000E+00  1.00000E+00  6.66667E+01  1.00000E+00  1.00000E+00  1.00000E+02
   1.00000E+00
   1.00000E-01  1.46780E-01  2.15440E-01
-  1.44000E+02  1.43000E+02  1.42000E+02  1.26000E+02  1.25000E+02  1.24000E+02
-  1.08000E+02  1.07000E+02  1.06000E+02  9.00000E+01  8.90000E+01  8.80000E+01
-  7.20000E+01  7.10000E+01  7.00000E+01  5.40000E+01  5.30000E+01  5.20000E+01
-  3.60000E+01  3.50000E+01  3.40000E+01  1.80000E+01  1.70000E+01  1.60000E+01
-  1.41000E+02  1.40000E+02  1.39000E+02  1.23000E+02  1.22000E+02  1.21000E+02
-  1.05000E+02  1.04000E+02  1.03000E+02  8.70000E+01  8.60000E+01  8.50000E+01
-  6.90000E+01  6.80000E+01  6.70000E+01  5.10000E+01  5.00000E+01  4.90000E+01
-  3.30000E+01  3.20000E+01  3.10000E+01  1.50000E+01  1.40000E+01  1.30000E+01
-  1.38000E+02  1.37000E+02  1.36000E+02  1.20000E+02  1.19000E+02  1.18000E+02
-  1.02000E+02  1.01000E+02  1.00000E+02  8.40000E+01  8.30000E+01  8.20000E+01
-  6.60000E+01  6.50000E+01  6.40000E+01  4.80000E+01  4.70000E+01  4.60000E+01
-  3.00000E+01  2.90000E+01  2.80000E+01  1.20000E+01  1.10000E+01  1.00000E+01
-  1.35000E+02  1.34000E+02  1.33000E+02  1.17000E+02  1.16000E+02  1.15000E+02
-  9.90000E+01  9.80000E+01  9.70000E+01  8.10000E+01  8.00000E+01  7.90000E+01
-  6.30000E+01  6.20000E+01  6.10000E+01  4.50000E+01  4.40000E+01  4.30000E+01
-  2.70000E+01  2.60000E+01  2.50000E+01  9.00000E+00  8.00000E+00  7.00000E+00
-  1.32000E+02  1.31000E+02  1.30000E+02  1.14000E+02  1.13000E+02  1.12000E+02
-  9.60000E+01  9.50000E+01  9.40000E+01  7.80000E+01  7.70000E+01  7.60000E+01
-  6.00000E+01  5.90000E+01  5.80000E+01  4.20000E+01  4.10000E+01  4.00000E+01
-  2.40000E+01  2.30000E+01  2.20000E+01  6.00000E+00  5.00000E+00  4.00000E+00
-  1.29000E+02  1.28000E+02  1.27000E+02  1.11000E+02  1.10000E+02  1.09000E+02
-  9.30000E+01  9.20000E+01  9.10000E+01  7.50000E+01  7.40000E+01  7.30000E+01
-  5.70000E+01  5.60000E+01  5.50000E+01  3.90000E+01  3.80000E+01  3.70000E+01
-  2.10000E+01  2.00000E+01  1.90000E+01  3.00000E+00  2.00000E+00  1.00000E+00
+  1.44000E+02  1.26000E+02  1.08000E+02  9.00000E+01  7.20000E+01  5.40000E+01
+  3.60000E+01  1.80000E+01  1.41000E+02  1.23000E+02  1.05000E+02  8.70000E+01
+  6.90000E+01  5.10000E+01  3.30000E+01  1.50000E+01  1.38000E+02  1.20000E+02
+  1.02000E+02  8.40000E+01  6.60000E+01  4.80000E+01  3.00000E+01  1.20000E+01
+  1.35000E+02  1.17000E+02  9.90000E+01  8.10000E+01  6.30000E+01  4.50000E+01
+  2.70000E+01  9.00000E+00  1.32000E+02  1.14000E+02  9.60000E+01  7.80000E+01
+  6.00000E+01  4.20000E+01  2.40000E+01  6.00000E+00  1.29000E+02  1.11000E+02
+  9.30000E+01  7.50000E+01  5.70000E+01  3.90000E+01  2.10000E+01  3.00000E+00
+  1.43000E+02  1.25000E+02  1.07000E+02  8.90000E+01  7.10000E+01  5.30000E+01
+  3.50000E+01  1.70000E+01  1.40000E+02  1.22000E+02  1.04000E+02  8.60000E+01
+  6.80000E+01  5.00000E+01  3.20000E+01  1.40000E+01  1.37000E+02  1.19000E+02
+  1.01000E+02  8.30000E+01  6.50000E+01  4.70000E+01  2.90000E+01  1.10000E+01
+  1.34000E+02  1.16000E+02  9.80000E+01  8.00000E+01  6.20000E+01  4.40000E+01
+  2.60000E+01  8.00000E+00  1.31000E+02  1.13000E+02  9.50000E+01  7.70000E+01
+  5.90000E+01  4.10000E+01  2.30000E+01  5.00000E+00  1.28000E+02  1.10000E+02
+  9.20000E+01  7.40000E+01  5.60000E+01  3.80000E+01  2.00000E+01  2.00000E+00
+  1.42000E+02  1.24000E+02  1.06000E+02  8.80000E+01  7.00000E+01  5.20000E+01
+  3.40000E+01  1.60000E+01  1.39000E+02  1.21000E+02  1.03000E+02  8.50000E+01
+  6.70000E+01  4.90000E+01  3.10000E+01  1.30000E+01  1.36000E+02  1.18000E+02
+  1.00000E+02  8.20000E+01  6.40000E+01  4.60000E+01  2.80000E+01  1.00000E+01
+  1.33000E+02  1.15000E+02  9.70000E+01  7.90000E+01  6.10000E+01  4.30000E+01
+  2.50000E+01  7.00000E+00  1.30000E+02  1.12000E+02  9.40000E+01  7.60000E+01
+  5.80000E+01  4.00000E+01  2.20000E+01  4.00000E+00  1.27000E+02  1.09000E+02
+  9.10000E+01  7.30000E+01  5.50000E+01  3.70000E+01  1.90000E+01  1.00000E+00
   1.00000E+02
   4.80000E+01  4.20000E+01  3.60000E+01  3.00000E+01  2.40000E+01  1.80000E+01
   1.20000E+01  6.00000E+00  4.70000E+01  4.10000E+01  3.50000E+01  2.90000E+01
@@ -46,3 +46,4 @@
   9.00000E+00  3.00000E+00  4.40000E+01  3.80000E+01  3.20000E+01  2.60000E+01
   2.00000E+01  1.40000E+01  8.00000E+00  2.00000E+00  4.30000E+01  3.70000E+01
   3.10000E+01  2.50000E+01  1.90000E+01  1.30000E+01  7.00000E+00  1.00000E+00
+
diff --git a/tests/unit_tests/weightwindows/wwinp_p b/tests/unit_tests/weightwindows/wwinp_p
index 95315692f..a9f9f98df 100644
--- a/tests/unit_tests/weightwindows/wwinp_p
+++ b/tests/unit_tests/weightwindows/wwinp_p
@@ -13,36 +13,36 @@
   1.00000E+00
  -5.00000E+01  1.00000E+00  5.00000E+01  1.00000E+00
   1.00000E-01  1.46780E-01  2.15440E-01  3.16230E-01
-  1.92000E+02  1.91000E+02  1.90000E+02  1.89000E+02  1.60000E+02  1.59000E+02
-  1.58000E+02  1.57000E+02  1.28000E+02  1.27000E+02  1.26000E+02  1.25000E+02
-  9.60000E+01  9.50000E+01  9.40000E+01  9.30000E+01  6.40000E+01  6.30000E+01
-  6.20000E+01  6.10000E+01  3.20000E+01  3.10000E+01  3.00000E+01  2.90000E+01
-  1.88000E+02  1.87000E+02  1.86000E+02  1.85000E+02  1.56000E+02  1.55000E+02
-  1.54000E+02  1.53000E+02  1.24000E+02  1.23000E+02  1.22000E+02  1.21000E+02
-  9.20000E+01  9.10000E+01  9.00000E+01  8.90000E+01  6.00000E+01  5.90000E+01
-  5.80000E+01  5.70000E+01  2.80000E+01  2.70000E+01  2.60000E+01  2.50000E+01
-  1.84000E+02  1.83000E+02  1.82000E+02  1.81000E+02  1.52000E+02  1.51000E+02
-  1.50000E+02  1.49000E+02  1.20000E+02  1.19000E+02  1.18000E+02  1.17000E+02
-  8.80000E+01  8.70000E+01  8.60000E+01  8.50000E+01  5.60000E+01  5.50000E+01
-  5.40000E+01  5.30000E+01  2.40000E+01  2.30000E+01  2.20000E+01  2.10000E+01
-  1.80000E+02  1.79000E+02  1.78000E+02  1.77000E+02  1.48000E+02  1.47000E+02
-  1.46000E+02  1.45000E+02  1.16000E+02  1.15000E+02  1.14000E+02  1.13000E+02
-  8.40000E+01  8.30000E+01  8.20000E+01  8.10000E+01  5.20000E+01  5.10000E+01
-  5.00000E+01  4.90000E+01  2.00000E+01  1.90000E+01  1.80000E+01  1.70000E+01
-  1.76000E+02  1.75000E+02  1.74000E+02  1.73000E+02  1.44000E+02  1.43000E+02
-  1.42000E+02  1.41000E+02  1.12000E+02  1.11000E+02  1.10000E+02  1.09000E+02
-  8.00000E+01  7.90000E+01  7.80000E+01  7.70000E+01  4.80000E+01  4.70000E+01
-  4.60000E+01  4.50000E+01  1.60000E+01  1.50000E+01  1.40000E+01  1.30000E+01
-  1.72000E+02  1.71000E+02  1.70000E+02  1.69000E+02  1.40000E+02  1.39000E+02
-  1.38000E+02  1.37000E+02  1.08000E+02  1.07000E+02  1.06000E+02  1.05000E+02
-  7.60000E+01  7.50000E+01  7.40000E+01  7.30000E+01  4.40000E+01  4.30000E+01
-  4.20000E+01  4.10000E+01  1.20000E+01  1.10000E+01  1.00000E+01  9.00000E+00
-  1.68000E+02  1.67000E+02  1.66000E+02  1.65000E+02  1.36000E+02  1.35000E+02
-  1.34000E+02  1.33000E+02  1.04000E+02  1.03000E+02  1.02000E+02  1.01000E+02
-  7.20000E+01  7.10000E+01  7.00000E+01  6.90000E+01  4.00000E+01  3.90000E+01
-  3.80000E+01  3.70000E+01  8.00000E+00  7.00000E+00  6.00000E+00  5.00000E+00
-  1.64000E+02  1.63000E+02  1.62000E+02  1.61000E+02  1.32000E+02  1.31000E+02
-  1.30000E+02  1.29000E+02  1.00000E+02  9.90000E+01  9.80000E+01  9.70000E+01
-  6.80000E+01  6.70000E+01  6.60000E+01  6.50000E+01  3.60000E+01  3.50000E+01
-  3.40000E+01  3.30000E+01  4.00000E+00  3.00000E+00  2.00000E+00  1.00000E+00
+  1.92000E+02  1.60000E+02  1.28000E+02  9.60000E+01  6.40000E+01  3.20000E+01
+  1.88000E+02  1.56000E+02  1.24000E+02  9.20000E+01  6.00000E+01  2.80000E+01
+  1.84000E+02  1.52000E+02  1.20000E+02  8.80000E+01  5.60000E+01  2.40000E+01
+  1.80000E+02  1.48000E+02  1.16000E+02  8.40000E+01  5.20000E+01  2.00000E+01
+  1.76000E+02  1.44000E+02  1.12000E+02  8.00000E+01  4.80000E+01  1.60000E+01
+  1.72000E+02  1.40000E+02  1.08000E+02  7.60000E+01  4.40000E+01  1.20000E+01
+  1.68000E+02  1.36000E+02  1.04000E+02  7.20000E+01  4.00000E+01  8.00000E+00
+  1.64000E+02  1.32000E+02  1.00000E+02  6.80000E+01  3.60000E+01  4.00000E+00
+  1.91000E+02  1.59000E+02  1.27000E+02  9.50000E+01  6.30000E+01  3.10000E+01
+  1.87000E+02  1.55000E+02  1.23000E+02  9.10000E+01  5.90000E+01  2.70000E+01
+  1.83000E+02  1.51000E+02  1.19000E+02  8.70000E+01  5.50000E+01  2.30000E+01
+  1.79000E+02  1.47000E+02  1.15000E+02  8.30000E+01  5.10000E+01  1.90000E+01
+  1.75000E+02  1.43000E+02  1.11000E+02  7.90000E+01  4.70000E+01  1.50000E+01
+  1.71000E+02  1.39000E+02  1.07000E+02  7.50000E+01  4.30000E+01  1.10000E+01
+  1.67000E+02  1.35000E+02  1.03000E+02  7.10000E+01  3.90000E+01  7.00000E+00
+  1.63000E+02  1.31000E+02  9.90000E+01  6.70000E+01  3.50000E+01  3.00000E+00
+  1.90000E+02  1.58000E+02  1.26000E+02  9.40000E+01  6.20000E+01  3.00000E+01
+  1.86000E+02  1.54000E+02  1.22000E+02  9.00000E+01  5.80000E+01  2.60000E+01
+  1.82000E+02  1.50000E+02  1.18000E+02  8.60000E+01  5.40000E+01  2.20000E+01
+  1.78000E+02  1.46000E+02  1.14000E+02  8.20000E+01  5.00000E+01  1.80000E+01
+  1.74000E+02  1.42000E+02  1.10000E+02  7.80000E+01  4.60000E+01  1.40000E+01
+  1.70000E+02  1.38000E+02  1.06000E+02  7.40000E+01  4.20000E+01  1.00000E+01
+  1.66000E+02  1.34000E+02  1.02000E+02  7.00000E+01  3.80000E+01  6.00000E+00
+  1.62000E+02  1.30000E+02  9.80000E+01  6.60000E+01  3.40000E+01  2.00000E+00
+  1.89000E+02  1.57000E+02  1.25000E+02  9.30000E+01  6.10000E+01  2.90000E+01
+  1.85000E+02  1.53000E+02  1.21000E+02  8.90000E+01  5.70000E+01  2.50000E+01
+  1.81000E+02  1.49000E+02  1.17000E+02  8.50000E+01  5.30000E+01  2.10000E+01
+  1.77000E+02  1.45000E+02  1.13000E+02  8.10000E+01  4.90000E+01  1.70000E+01
+  1.73000E+02  1.41000E+02  1.09000E+02  7.70000E+01  4.50000E+01  1.30000E+01
+  1.69000E+02  1.37000E+02  1.05000E+02  7.30000E+01  4.10000E+01  9.00000E+00
+  1.65000E+02  1.33000E+02  1.01000E+02  6.90000E+01  3.70000E+01  5.00000E+00
+  1.61000E+02  1.29000E+02  9.70000E+01  6.50000E+01  3.30000E+01  1.00000E+00
 

From 4957ba240b1f6f77f1e7811e26e4214fac18acde Mon Sep 17 00:00:00 2001
From: Ethan Peterson <ethan.peterson@mit.edu>
Date: Mon, 3 Oct 2022 07:17:07 -0400
Subject: [PATCH 1040/2654] revert to original expected ww lb

---
 tests/unit_tests/weightwindows/test_wwinp_reader.py | 7 +------
 1 file changed, 1 insertion(+), 6 deletions(-)

diff --git a/tests/unit_tests/weightwindows/test_wwinp_reader.py b/tests/unit_tests/weightwindows/test_wwinp_reader.py
index 437e588f6..8d7cd5f7d 100644
--- a/tests/unit_tests/weightwindows/test_wwinp_reader.py
+++ b/tests/unit_tests/weightwindows/test_wwinp_reader.py
@@ -118,12 +118,7 @@ def test_wwinp_reader(wwinp_data, request):
         # check the expected weight window values mocked in the file --
         # a reversed array of the flat index into the numpy array
         n_wws = np.prod((*mesh.dimension, e_bounds.size - 1))
-        nx, ny, nz, ne = mesh.dimension + (e_bounds.size - 1,)
-        exp_ww_lb = np.linspace(1, n_wws, n_wws)[::-1].reshape(nx, ny, nz, ne)
-        # this is how the ww lower bounds were actually written to file
-        exp_ww_lb = np.swapaxes(exp_ww_lb, 0, 2).flatten()
-        # this is how we expect them to be read back in
-        exp_ww_lb = exp_ww_lb.reshape(ne, nz, ny, nx).T.flatten()
+        exp_ww_lb = np.linspace(1, n_wws, n_wws)[::-1]
 
         np.testing.assert_array_equal(exp_ww_lb, ww.lower_ww_bounds.flatten())
 

From 6bc2ee8e4fd2ad0c2fc950fa7a7b09c97163557c Mon Sep 17 00:00:00 2001
From: Ethan Peterson <ethan.peterson@mit.edu>
Date: Mon, 3 Oct 2022 07:19:58 -0400
Subject: [PATCH 1041/2654] updated cyl and t wwlb for future tests

---
 tests/unit_tests/weightwindows/wwinp_cyl | 64 ++++++++++++------------
 tests/unit_tests/weightwindows/wwinp_t   | 64 ++++++++++++------------
 2 files changed, 64 insertions(+), 64 deletions(-)

diff --git a/tests/unit_tests/weightwindows/wwinp_cyl b/tests/unit_tests/weightwindows/wwinp_cyl
index 890844b87..aac9d46f2 100644
--- a/tests/unit_tests/weightwindows/wwinp_cyl
+++ b/tests/unit_tests/weightwindows/wwinp_cyl
@@ -14,35 +14,35 @@
   1.00000E+00
   0.00000E+01  1.00000E+00  3.14159E+00  1.00000E+00
   1.00000E-01  1.46780E-01  2.15440E-01  3.16230E-01
-  1.92000E+02  1.91000E+02  1.90000E+02  1.89000E+02  1.60000E+02  1.59000E+02
-  1.58000E+02  1.57000E+02  1.28000E+02  1.27000E+02  1.26000E+02  1.25000E+02
-  9.60000E+01  9.50000E+01  9.40000E+01  9.30000E+01  6.40000E+01  6.30000E+01
-  6.20000E+01  6.10000E+01  3.20000E+01  3.10000E+01  3.00000E+01  2.90000E+01
-  1.88000E+02  1.87000E+02  1.86000E+02  1.85000E+02  1.56000E+02  1.55000E+02
-  1.54000E+02  1.53000E+02  1.24000E+02  1.23000E+02  1.22000E+02  1.21000E+02
-  9.20000E+01  9.10000E+01  9.00000E+01  8.90000E+01  6.00000E+01  5.90000E+01
-  5.80000E+01  5.70000E+01  2.80000E+01  2.70000E+01  2.60000E+01  2.50000E+01
-  1.84000E+02  1.83000E+02  1.82000E+02  1.81000E+02  1.52000E+02  1.51000E+02
-  1.50000E+02  1.49000E+02  1.20000E+02  1.19000E+02  1.18000E+02  1.17000E+02
-  8.80000E+01  8.70000E+01  8.60000E+01  8.50000E+01  5.60000E+01  5.50000E+01
-  5.40000E+01  5.30000E+01  2.40000E+01  2.30000E+01  2.20000E+01  2.10000E+01
-  1.80000E+02  1.79000E+02  1.78000E+02  1.77000E+02  1.48000E+02  1.47000E+02
-  1.46000E+02  1.45000E+02  1.16000E+02  1.15000E+02  1.14000E+02  1.13000E+02
-  8.40000E+01  8.30000E+01  8.20000E+01  8.10000E+01  5.20000E+01  5.10000E+01
-  5.00000E+01  4.90000E+01  2.00000E+01  1.90000E+01  1.80000E+01  1.70000E+01
-  1.76000E+02  1.75000E+02  1.74000E+02  1.73000E+02  1.44000E+02  1.43000E+02
-  1.42000E+02  1.41000E+02  1.12000E+02  1.11000E+02  1.10000E+02  1.09000E+02
-  8.00000E+01  7.90000E+01  7.80000E+01  7.70000E+01  4.80000E+01  4.70000E+01
-  4.60000E+01  4.50000E+01  1.60000E+01  1.50000E+01  1.40000E+01  1.30000E+01
-  1.72000E+02  1.71000E+02  1.70000E+02  1.69000E+02  1.40000E+02  1.39000E+02
-  1.38000E+02  1.37000E+02  1.08000E+02  1.07000E+02  1.06000E+02  1.05000E+02
-  7.60000E+01  7.50000E+01  7.40000E+01  7.30000E+01  4.40000E+01  4.30000E+01
-  4.20000E+01  4.10000E+01  1.20000E+01  1.10000E+01  1.00000E+01  9.00000E+00
-  1.68000E+02  1.67000E+02  1.66000E+02  1.65000E+02  1.36000E+02  1.35000E+02
-  1.34000E+02  1.33000E+02  1.04000E+02  1.03000E+02  1.02000E+02  1.01000E+02
-  7.20000E+01  7.10000E+01  7.00000E+01  6.90000E+01  4.00000E+01  3.90000E+01
-  3.80000E+01  3.70000E+01  8.00000E+00  7.00000E+00  6.00000E+00  5.00000E+00
-  1.64000E+02  1.63000E+02  1.62000E+02  1.61000E+02  1.32000E+02  1.31000E+02
-  1.30000E+02  1.29000E+02  1.00000E+02  9.90000E+01  9.80000E+01  9.70000E+01
-  6.80000E+01  6.70000E+01  6.60000E+01  6.50000E+01  3.60000E+01  3.50000E+01
-  3.40000E+01  3.30000E+01  4.00000E+00  3.00000E+00  2.00000E+00  1.00000E+00
+  1.92000E+02  1.60000E+02  1.28000E+02  9.60000E+01  6.40000E+01  3.20000E+01
+  1.88000E+02  1.56000E+02  1.24000E+02  9.20000E+01  6.00000E+01  2.80000E+01
+  1.84000E+02  1.52000E+02  1.20000E+02  8.80000E+01  5.60000E+01  2.40000E+01
+  1.80000E+02  1.48000E+02  1.16000E+02  8.40000E+01  5.20000E+01  2.00000E+01
+  1.76000E+02  1.44000E+02  1.12000E+02  8.00000E+01  4.80000E+01  1.60000E+01
+  1.72000E+02  1.40000E+02  1.08000E+02  7.60000E+01  4.40000E+01  1.20000E+01
+  1.68000E+02  1.36000E+02  1.04000E+02  7.20000E+01  4.00000E+01  8.00000E+00
+  1.64000E+02  1.32000E+02  1.00000E+02  6.80000E+01  3.60000E+01  4.00000E+00
+  1.91000E+02  1.59000E+02  1.27000E+02  9.50000E+01  6.30000E+01  3.10000E+01
+  1.87000E+02  1.55000E+02  1.23000E+02  9.10000E+01  5.90000E+01  2.70000E+01
+  1.83000E+02  1.51000E+02  1.19000E+02  8.70000E+01  5.50000E+01  2.30000E+01
+  1.79000E+02  1.47000E+02  1.15000E+02  8.30000E+01  5.10000E+01  1.90000E+01
+  1.75000E+02  1.43000E+02  1.11000E+02  7.90000E+01  4.70000E+01  1.50000E+01
+  1.71000E+02  1.39000E+02  1.07000E+02  7.50000E+01  4.30000E+01  1.10000E+01
+  1.67000E+02  1.35000E+02  1.03000E+02  7.10000E+01  3.90000E+01  7.00000E+00
+  1.63000E+02  1.31000E+02  9.90000E+01  6.70000E+01  3.50000E+01  3.00000E+00
+  1.90000E+02  1.58000E+02  1.26000E+02  9.40000E+01  6.20000E+01  3.00000E+01
+  1.86000E+02  1.54000E+02  1.22000E+02  9.00000E+01  5.80000E+01  2.60000E+01
+  1.82000E+02  1.50000E+02  1.18000E+02  8.60000E+01  5.40000E+01  2.20000E+01
+  1.78000E+02  1.46000E+02  1.14000E+02  8.20000E+01  5.00000E+01  1.80000E+01
+  1.74000E+02  1.42000E+02  1.10000E+02  7.80000E+01  4.60000E+01  1.40000E+01
+  1.70000E+02  1.38000E+02  1.06000E+02  7.40000E+01  4.20000E+01  1.00000E+01
+  1.66000E+02  1.34000E+02  1.02000E+02  7.00000E+01  3.80000E+01  6.00000E+00
+  1.62000E+02  1.30000E+02  9.80000E+01  6.60000E+01  3.40000E+01  2.00000E+00
+  1.89000E+02  1.57000E+02  1.25000E+02  9.30000E+01  6.10000E+01  2.90000E+01
+  1.85000E+02  1.53000E+02  1.21000E+02  8.90000E+01  5.70000E+01  2.50000E+01
+  1.81000E+02  1.49000E+02  1.17000E+02  8.50000E+01  5.30000E+01  2.10000E+01
+  1.77000E+02  1.45000E+02  1.13000E+02  8.10000E+01  4.90000E+01  1.70000E+01
+  1.73000E+02  1.41000E+02  1.09000E+02  7.70000E+01  4.50000E+01  1.30000E+01
+  1.69000E+02  1.37000E+02  1.05000E+02  7.30000E+01  4.10000E+01  9.00000E+00
+  1.65000E+02  1.33000E+02  1.01000E+02  6.90000E+01  3.70000E+01  5.00000E+00
+  1.61000E+02  1.29000E+02  9.70000E+01  6.50000E+01  3.30000E+01  1.00000E+00
diff --git a/tests/unit_tests/weightwindows/wwinp_t b/tests/unit_tests/weightwindows/wwinp_t
index f1aa26d6d..a12668aa4 100644
--- a/tests/unit_tests/weightwindows/wwinp_t
+++ b/tests/unit_tests/weightwindows/wwinp_t
@@ -15,35 +15,35 @@
   1.00000E+02
  -5.00000E+01  1.00000E+00  5.00000E+01  1.00000E+00
   1.00000E-01  1.46780E-01  2.15440E-01  3.16230E-01
-  1.92000E+02  1.91000E+02  1.90000E+02  1.89000E+02  1.60000E+02  1.59000E+02
-  1.58000E+02  1.57000E+02  1.28000E+02  1.27000E+02  1.26000E+02  1.25000E+02
-  9.60000E+01  9.50000E+01  9.40000E+01  9.30000E+01  6.40000E+01  6.30000E+01
-  6.20000E+01  6.10000E+01  3.20000E+01  3.10000E+01  3.00000E+01  2.90000E+01
-  1.88000E+02  1.87000E+02  1.86000E+02  1.85000E+02  1.56000E+02  1.55000E+02
-  1.54000E+02  1.53000E+02  1.24000E+02  1.23000E+02  1.22000E+02  1.21000E+02
-  9.20000E+01  9.10000E+01  9.00000E+01  8.90000E+01  6.00000E+01  5.90000E+01
-  5.80000E+01  5.70000E+01  2.80000E+01  2.70000E+01  2.60000E+01  2.50000E+01
-  1.84000E+02  1.83000E+02  1.82000E+02  1.81000E+02  1.52000E+02  1.51000E+02
-  1.50000E+02  1.49000E+02  1.20000E+02  1.19000E+02  1.18000E+02  1.17000E+02
-  8.80000E+01  8.70000E+01  8.60000E+01  8.50000E+01  5.60000E+01  5.50000E+01
-  5.40000E+01  5.30000E+01  2.40000E+01  2.30000E+01  2.20000E+01  2.10000E+01
-  1.80000E+02  1.79000E+02  1.78000E+02  1.77000E+02  1.48000E+02  1.47000E+02
-  1.46000E+02  1.45000E+02  1.16000E+02  1.15000E+02  1.14000E+02  1.13000E+02
-  8.40000E+01  8.30000E+01  8.20000E+01  8.10000E+01  5.20000E+01  5.10000E+01
-  5.00000E+01  4.90000E+01  2.00000E+01  1.90000E+01  1.80000E+01  1.70000E+01
-  1.76000E+02  1.75000E+02  1.74000E+02  1.73000E+02  1.44000E+02  1.43000E+02
-  1.42000E+02  1.41000E+02  1.12000E+02  1.11000E+02  1.10000E+02  1.09000E+02
-  8.00000E+01  7.90000E+01  7.80000E+01  7.70000E+01  4.80000E+01  4.70000E+01
-  4.60000E+01  4.50000E+01  1.60000E+01  1.50000E+01  1.40000E+01  1.30000E+01
-  1.72000E+02  1.71000E+02  1.70000E+02  1.69000E+02  1.40000E+02  1.39000E+02
-  1.38000E+02  1.37000E+02  1.08000E+02  1.07000E+02  1.06000E+02  1.05000E+02
-  7.60000E+01  7.50000E+01  7.40000E+01  7.30000E+01  4.40000E+01  4.30000E+01
-  4.20000E+01  4.10000E+01  1.20000E+01  1.10000E+01  1.00000E+01  9.00000E+00
-  1.68000E+02  1.67000E+02  1.66000E+02  1.65000E+02  1.36000E+02  1.35000E+02
-  1.34000E+02  1.33000E+02  1.04000E+02  1.03000E+02  1.02000E+02  1.01000E+02
-  7.20000E+01  7.10000E+01  7.00000E+01  6.90000E+01  4.00000E+01  3.90000E+01
-  3.80000E+01  3.70000E+01  8.00000E+00  7.00000E+00  6.00000E+00  5.00000E+00
-  1.64000E+02  1.63000E+02  1.62000E+02  1.61000E+02  1.32000E+02  1.31000E+02
-  1.30000E+02  1.29000E+02  1.00000E+02  9.90000E+01  9.80000E+01  9.70000E+01
-  6.80000E+01  6.70000E+01  6.60000E+01  6.50000E+01  3.60000E+01  3.50000E+01
-  3.40000E+01  3.30000E+01  4.00000E+00  3.00000E+00  2.00000E+00  1.00000E+00
+  1.92000E+02  1.60000E+02  1.28000E+02  9.60000E+01  6.40000E+01  3.20000E+01
+  1.88000E+02  1.56000E+02  1.24000E+02  9.20000E+01  6.00000E+01  2.80000E+01
+  1.84000E+02  1.52000E+02  1.20000E+02  8.80000E+01  5.60000E+01  2.40000E+01
+  1.80000E+02  1.48000E+02  1.16000E+02  8.40000E+01  5.20000E+01  2.00000E+01
+  1.76000E+02  1.44000E+02  1.12000E+02  8.00000E+01  4.80000E+01  1.60000E+01
+  1.72000E+02  1.40000E+02  1.08000E+02  7.60000E+01  4.40000E+01  1.20000E+01
+  1.68000E+02  1.36000E+02  1.04000E+02  7.20000E+01  4.00000E+01  8.00000E+00
+  1.64000E+02  1.32000E+02  1.00000E+02  6.80000E+01  3.60000E+01  4.00000E+00
+  1.91000E+02  1.59000E+02  1.27000E+02  9.50000E+01  6.30000E+01  3.10000E+01
+  1.87000E+02  1.55000E+02  1.23000E+02  9.10000E+01  5.90000E+01  2.70000E+01
+  1.83000E+02  1.51000E+02  1.19000E+02  8.70000E+01  5.50000E+01  2.30000E+01
+  1.79000E+02  1.47000E+02  1.15000E+02  8.30000E+01  5.10000E+01  1.90000E+01
+  1.75000E+02  1.43000E+02  1.11000E+02  7.90000E+01  4.70000E+01  1.50000E+01
+  1.71000E+02  1.39000E+02  1.07000E+02  7.50000E+01  4.30000E+01  1.10000E+01
+  1.67000E+02  1.35000E+02  1.03000E+02  7.10000E+01  3.90000E+01  7.00000E+00
+  1.63000E+02  1.31000E+02  9.90000E+01  6.70000E+01  3.50000E+01  3.00000E+00
+  1.90000E+02  1.58000E+02  1.26000E+02  9.40000E+01  6.20000E+01  3.00000E+01
+  1.86000E+02  1.54000E+02  1.22000E+02  9.00000E+01  5.80000E+01  2.60000E+01
+  1.82000E+02  1.50000E+02  1.18000E+02  8.60000E+01  5.40000E+01  2.20000E+01
+  1.78000E+02  1.46000E+02  1.14000E+02  8.20000E+01  5.00000E+01  1.80000E+01
+  1.74000E+02  1.42000E+02  1.10000E+02  7.80000E+01  4.60000E+01  1.40000E+01
+  1.70000E+02  1.38000E+02  1.06000E+02  7.40000E+01  4.20000E+01  1.00000E+01
+  1.66000E+02  1.34000E+02  1.02000E+02  7.00000E+01  3.80000E+01  6.00000E+00
+  1.62000E+02  1.30000E+02  9.80000E+01  6.60000E+01  3.40000E+01  2.00000E+00
+  1.89000E+02  1.57000E+02  1.25000E+02  9.30000E+01  6.10000E+01  2.90000E+01
+  1.85000E+02  1.53000E+02  1.21000E+02  8.90000E+01  5.70000E+01  2.50000E+01
+  1.81000E+02  1.49000E+02  1.17000E+02  8.50000E+01  5.30000E+01  2.10000E+01
+  1.77000E+02  1.45000E+02  1.13000E+02  8.10000E+01  4.90000E+01  1.70000E+01
+  1.73000E+02  1.41000E+02  1.09000E+02  7.70000E+01  4.50000E+01  1.30000E+01
+  1.69000E+02  1.37000E+02  1.05000E+02  7.30000E+01  4.10000E+01  9.00000E+00
+  1.65000E+02  1.33000E+02  1.01000E+02  6.90000E+01  3.70000E+01  5.00000E+00
+  1.61000E+02  1.29000E+02  9.70000E+01  6.50000E+01  3.30000E+01  1.00000E+00

From f9ba64eeb3881f320e9c70e66189f2f011c45a85 Mon Sep 17 00:00:00 2001
From: Ethan Peterson <ethan.peterson@mit.edu>
Date: Mon, 3 Oct 2022 07:22:26 -0400
Subject: [PATCH 1042/2654] Update
 tests/unit_tests/weightwindows/test_wwinp_reader.py

---
 tests/unit_tests/weightwindows/test_wwinp_reader.py | 1 -
 1 file changed, 1 deletion(-)

diff --git a/tests/unit_tests/weightwindows/test_wwinp_reader.py b/tests/unit_tests/weightwindows/test_wwinp_reader.py
index 8d7cd5f7d..434a36753 100644
--- a/tests/unit_tests/weightwindows/test_wwinp_reader.py
+++ b/tests/unit_tests/weightwindows/test_wwinp_reader.py
@@ -119,7 +119,6 @@ def test_wwinp_reader(wwinp_data, request):
         # a reversed array of the flat index into the numpy array
         n_wws = np.prod((*mesh.dimension, e_bounds.size - 1))
         exp_ww_lb = np.linspace(1, n_wws, n_wws)[::-1]
-
         np.testing.assert_array_equal(exp_ww_lb, ww.lower_ww_bounds.flatten())
 
 

From a32a5fbf0d18bf31eaa79b2d11e2bd11f2e4c4bf Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Mon, 3 Oct 2022 16:58:11 +0100
Subject: [PATCH 1043/2654] review suggestion from @RemDelaporteMathurin

---
 openmc/mesh.py | 6 +++++-
 1 file changed, 5 insertions(+), 1 deletion(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 0dc390ebe..e0d8eb61b 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -1143,6 +1143,7 @@ class CylindricalMesh(StructuredMesh):
         domain,
         dimension=[100, 100, 100],
         mesh_id=None,
+        phi_grid=[0.0, 2*pi],
         name=''
     ):
         """Create mesh from an existing openmc cell, region, universe or
@@ -1160,6 +1161,9 @@ class CylindricalMesh(StructuredMesh):
             phi_grid, z_grid)
         mesh_id : int
             Unique identifier for the mesh
+        phi_grid : numpy.ndarray
+            1-D array of mesh boundary points along the phi-axis in radians.
+            The default value is [0, 2π], i.e. the full phi range.
         name : str
             Name of the mesh
 
@@ -1188,7 +1192,7 @@ class CylindricalMesh(StructuredMesh):
             ]
         )
         mesh.r_grid = np.linspace(0, max_bounding_box_radius, num=dimension[0]+1)
-        mesh.phi_grid = np.linspace(0, 2*np.pi, num=dimension[1]+1)
+        mesh.phi_grid = np.linspace(phi_grid[0], phi_grid[1], num=dimension[1]+1)
         mesh.z_grid = np.linspace(
             cached_bb[0][2],
             cached_bb[1][2],

From 314f3dbbab75104f217d1e20e2146ced28108707 Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erik.knudsen@copenhagenatomics.com>
Date: Tue, 4 Oct 2022 10:11:06 +0200
Subject: [PATCH 1044/2654] do not define these functions if no MCPL present

---
 src/state_point.cpp | 6 ++++--
 1 file changed, 4 insertions(+), 2 deletions(-)

diff --git a/src/state_point.cpp b/src/state_point.cpp
index babd670a2..5b00f302d 100644
--- a/src/state_point.cpp
+++ b/src/state_point.cpp
@@ -602,6 +602,7 @@ void write_source_point(const char* filename, bool surf_source_bank)
     file_close(file_id);
 }
 
+#ifdef OPENMC_MCPL
 void write_mcpl_point(const char *filename, bool surf_source_bank)
 {
   std::string filename_;
@@ -639,7 +640,7 @@ void write_mcpl_point(const char *filename, bool surf_source_bank)
   }
 
 }
-
+#endif
 
 void write_source_bank(hid_t group_id, bool surf_source_bank)
 {
@@ -757,6 +758,7 @@ void write_source_bank(hid_t group_id, bool surf_source_bank)
   H5Tclose(banktype);
 }
 
+#ifdef OPENMC_MCPL
 void write_mcpl_source_bank(mcpl_outfile_t file_id, bool surf_source_bank)
 {
   int64_t dims_size = settings::n_particles;
@@ -837,7 +839,7 @@ void write_mcpl_source_bank(mcpl_outfile_t file_id, bool surf_source_bank)
   }
 
 }
-
+#endif
 
 // Determine member names of a compound HDF5 datatype
 std::string dtype_member_names(hid_t dtype_id)

From 90fe5cb79cd8dc8978db0754d34cd66e818e8f05 Mon Sep 17 00:00:00 2001
From: shimwell <mail@jshimwell.com>
Date: Tue, 4 Oct 2022 21:00:17 +0100
Subject: [PATCH 1045/2654] added py3.9 and py3.10

---
 .github/workflows/ci.yml | 8 +++++++-
 setup.py                 | 1 +
 2 files changed, 8 insertions(+), 1 deletion(-)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index 050c8e287..a165998d4 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -60,6 +60,12 @@ jobs:
             python-version: 3.8
             omp: n
             mpi: y
+          - python-version: 3.9
+            omp: n
+            mpi: n
+          - python-version: '3.10'
+            omp: n
+            mpi: n
     name: "Python ${{ matrix.python-version }} (omp=${{ matrix.omp }},
       mpi=${{ matrix.mpi }}, dagmc=${{ matrix.dagmc }},
       libmesh=${{ matrix.libmesh }}, event=${{ matrix.event }}
@@ -78,7 +84,7 @@ jobs:
       - uses: actions/checkout@v2
 
       - name: Set up Python ${{ matrix.python-version }}
-        uses: actions/setup-python@v2
+        uses: actions/setup-python@v4
         with:
           python-version: ${{ matrix.python-version }}
 
diff --git a/setup.py b/setup.py
index 477f29dec..43b515934 100755
--- a/setup.py
+++ b/setup.py
@@ -61,6 +61,7 @@ kwargs = {
         'Programming Language :: Python :: 3.7',
         'Programming Language :: Python :: 3.8',
         'Programming Language :: Python :: 3.9',
+        'Programming Language :: Python :: 3.10',
     ],
 
     # Dependencies

From facc1995e342fbfd8e0c13ff42550beabec5d4fe Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Wed, 5 Oct 2022 09:29:19 +0200
Subject: [PATCH 1046/2654] marks

---
 openmc/mesh.py | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index a4c50a608..4059fee2d 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -165,7 +165,7 @@ class StructuredMesh(MeshBase):
         pass
 
     @property
-    def vertices(self):
+    def vertices(self):  # TODO needs changing
         """Return coordinates of mesh vertices.
 
         Returns
@@ -178,7 +178,7 @@ class StructuredMesh(MeshBase):
         return np.stack(np.meshgrid(*self._grids, indexing='ij'), axis=-1)
 
     @property
-    def centroids(self):
+    def centroids(self):  # TODO needs changing
         """Return coordinates of mesh element centroids.
 
         Returns

From afbd994d4ff0504bd35722873152813efe907321 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <drshimwell@gmail.com>
Date: Wed, 5 Oct 2022 08:45:59 +0100
Subject: [PATCH 1047/2654] review suggestions from Remi and Paul
MIME-Version: 1.0
Content-Type: text/plain; charset=UTF-8
Content-Transfer-Encoding: 8bit

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
Co-authored-by: Rémi Delaporte-Mathurin <40028739+RemDelaporteMathurin@users.noreply.github.com>
---
 openmc/mesh.py                            |  8 ++++----
 tests/unit_tests/test_mesh_from_domain.py | 12 ++++++------
 2 files changed, 10 insertions(+), 10 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index e0d8eb61b..57fd8fb21 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -1141,9 +1141,9 @@ class CylindricalMesh(StructuredMesh):
     def from_domain(
         cls,
         domain,
-        dimension=[100, 100, 100],
+        dimension=(100, 100, 100),
         mesh_id=None,
-        phi_grid=[0.0, 2*pi],
+        phi_grid=(0.0, 2*pi),
         name=''
     ):
         """Create mesh from an existing openmc cell, region, universe or
@@ -1152,7 +1152,7 @@ class CylindricalMesh(StructuredMesh):
 
         Parameters
         ----------
-        domain : {openmc.Cell, openmc.Region, openmc.Universe, openmc.Geometry}
+        domain : openmc.Cell or openmc.Region or openmc.Universe or openmc.Geometry
             The object passed in will be used as a template for this mesh. The
             bounding box of the property of the object passed will be used to
             set the r_grid, z_grid ranges.
@@ -1163,7 +1163,7 @@ class CylindricalMesh(StructuredMesh):
             Unique identifier for the mesh
         phi_grid : numpy.ndarray
             1-D array of mesh boundary points along the phi-axis in radians.
-            The default value is [0, 2π], i.e. the full phi range.
+            The default value is (0, 2π), i.e., the full phi range.
         name : str
             Name of the mesh
 
diff --git a/tests/unit_tests/test_mesh_from_domain.py b/tests/unit_tests/test_mesh_from_domain.py
index 64b9424b9..cbc32b8fa 100644
--- a/tests/unit_tests/test_mesh_from_domain.py
+++ b/tests/unit_tests/test_mesh_from_domain.py
@@ -19,9 +19,9 @@ def test_reg_mesh_from_cell():
 def test_cylindrical_mesh_from_cell():
     """Tests a CylindricalMesh can be made from a Cell and the specified
     dimensions are propagated through. Cell is not centralized"""
-    cy_surface = openmc. openmc.ZCylinder(r=50)
-    z_surface_1 = openmc. openmc.ZPlane(z0=30)
-    z_surface_2 = openmc. openmc.ZPlane(z0=0)
+    cy_surface = openmc.ZCylinder(r=50)
+    z_surface_1 = openmc.ZPlane(z0=30)
+    z_surface_2 = openmc.ZPlane(z0=0)
     cell = openmc.Cell(region=-cy_surface & -z_surface_1 & +z_surface_2)
     mesh = openmc.CylindricalMesh.from_domain(cell, dimension=[2, 4, 3])
 
@@ -48,9 +48,9 @@ def test_reg_mesh_from_region():
 def test_cylindrical_mesh_from_region():
     """Tests a CylindricalMesh can be made from a Region and the specified
     dimensions are propagated through. Cell is centralized"""
-    cy_surface = openmc. openmc.ZCylinder(r=6)
-    z_surface_1 = openmc. openmc.ZPlane(z0=30)
-    z_surface_2 = openmc. openmc.ZPlane(z0=-30)
+    cy_surface = openmc.ZCylinder(r=6)
+    z_surface_1 = openmc.ZPlane(z0=30)
+    z_surface_2 = openmc.ZPlane(z0=-30)
     cell = openmc.Cell(region=-cy_surface & -z_surface_1 & +z_surface_2)
     mesh = openmc.CylindricalMesh.from_domain(cell, dimension=[6, 2, 3])
 

From 9a61aed2efe4bb798f16b9018ad3a8edb003d68e Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Wed, 5 Oct 2022 09:03:30 +0100
Subject: [PATCH 1048/2654] doc string related review suggestions

---
 openmc/mesh.py | 28 +++++++++++++++++-----------
 1 file changed, 17 insertions(+), 11 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 57fd8fb21..d4db5011b 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -514,7 +514,7 @@ class RegularMesh(StructuredMesh):
     def from_domain(
         cls,
         domain,
-        dimension=[100, 100, 100],
+        dimension=(10, 10, 10),
         mesh_id=None,
         name=''
     ):
@@ -1141,14 +1141,12 @@ class CylindricalMesh(StructuredMesh):
     def from_domain(
         cls,
         domain,
-        dimension=(100, 100, 100),
+        dimension=(10, 10, 10),
         mesh_id=None,
-        phi_grid=(0.0, 2*pi),
+        phi_grid_bounds=(0.0, 2*pi),
         name=''
     ):
-        """Create mesh from an existing openmc cell, region, universe or
-        geometry by making use of the objects bounding box property. phi_grid
-        is set to have a range of 0 to 2π by default.
+        """Creates a regular CylindricalMesh from an existing openmc domain.
 
         Parameters
         ----------
@@ -1161,9 +1159,9 @@ class CylindricalMesh(StructuredMesh):
             phi_grid, z_grid)
         mesh_id : int
             Unique identifier for the mesh
-        phi_grid : numpy.ndarray
-            1-D array of mesh boundary points along the phi-axis in radians.
-            The default value is (0, 2π), i.e., the full phi range.
+        phi_grid_bounds : numpy.ndarray
+            Mesh bounds points along the phi-axis in radians. The default value
+            is (0, 2π), i.e., the full phi range.
         name : str
             Name of the mesh
 
@@ -1191,8 +1189,16 @@ class CylindricalMesh(StructuredMesh):
                 cached_bb[1][1],
             ]
         )
-        mesh.r_grid = np.linspace(0, max_bounding_box_radius, num=dimension[0]+1)
-        mesh.phi_grid = np.linspace(phi_grid[0], phi_grid[1], num=dimension[1]+1)
+        mesh.r_grid = np.linspace(
+            0,
+            max_bounding_box_radius,
+            num=dimension[0]+1
+        )
+        mesh.phi_grid = np.linspace(
+            phi_grid_bounds[0],
+            phi_grid_bounds[1],
+            num=dimension[1]+1
+        )
         mesh.z_grid = np.linspace(
             cached_bb[0][2],
             cached_bb[1][2],

From 2de20231ad584fa7a77a5b135c82f6e995671bcc Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erkn@fysik.dtu.dk>
Date: Wed, 5 Oct 2022 10:56:36 +0200
Subject: [PATCH 1049/2654] use find_package instead - MCPL now supports this

---
 CMakeLists.txt | 20 ++++++++++++--------
 1 file changed, 12 insertions(+), 8 deletions(-)

diff --git a/CMakeLists.txt b/CMakeLists.txt
index be56f1c12..98dc4fcaf 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -128,6 +128,13 @@ if(${HDF5_VERSION} VERSION_GREATER_EQUAL 1.12.0)
   list(APPEND cxxflags -DH5Oget_info_by_idx_vers=1 -DH5O_info_t_vers=1)
 endif()
 
+#===============================================================================
+# MCPL
+#===============================================================================
+if (OPENMC_USE_MCPL)
+  find_package(MCPL REQUIRED)
+endif()
+
 #===============================================================================
 # Set compile/link flags based on which compiler is being used
 #===============================================================================
@@ -155,10 +162,6 @@ if(OPENMC_ENABLE_COVERAGE)
   list(APPEND ldflags --coverage)
 endif()
 
-if(OPENMC_USE_MCPL)
-  list(APPEND ldflags -lmcpl)
-endif()
-
 # Show flags being used
 message(STATUS "OpenMC C++ flags: ${cxxflags}")
 message(STATUS "OpenMC Linker flags: ${ldflags}")
@@ -413,10 +416,6 @@ endif()
 if (OPENMC_USE_MPI)
   target_compile_definitions(libopenmc PUBLIC -DOPENMC_MPI)
 endif()
-if(OPENMC_USE_MCPL)
-  target_compile_definitions(libopenmc PUBLIC -DOPENMC_MCPL)
-endif()
-
 
 # Set git SHA1 hash as a compile definition
 if(GIT_FOUND)
@@ -460,6 +459,11 @@ if (OPENMC_USE_MPI)
   target_link_libraries(libopenmc MPI::MPI_CXX)
 endif()
 
+if (OPENMC_USE_MCPL)
+  target_compile_definitions(libopenmc PUBLIC OPENMC_MCPL)
+  target_link_libraries(libopenmc MCPL::mcpl)
+endif()
+
 #===============================================================================
 # openmc executable
 #===============================================================================

From 7418cb99dd7c22e80532dcc46a9d2c4c04ceb63d Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erkn@fysik.dtu.dk>
Date: Wed, 5 Oct 2022 10:59:02 +0200
Subject: [PATCH 1050/2654] add mcpl-output settings

---
 include/openmc/settings.h | 1 +
 src/settings.cpp          | 8 +++++++-
 2 files changed, 8 insertions(+), 1 deletion(-)

diff --git a/include/openmc/settings.h b/include/openmc/settings.h
index 1e061b235..66825867d 100644
--- a/include/openmc/settings.h
+++ b/include/openmc/settings.h
@@ -48,6 +48,7 @@ extern bool source_latest;         //!< write latest source at each batch?
 extern bool source_separate;       //!< write source to separate file?
 extern bool source_write;          //!< write source in HDF5 files?
 extern bool surf_source_write;     //!< write surface source file?
+extern bool surf_mcpl_write;       //!< write surface mcpl file?
 extern bool surf_source_read;      //!< read surface source file?
 extern bool survival_biasing;      //!< use survival biasing?
 extern bool temperature_multipole; //!< use multipole data?
diff --git a/src/settings.cpp b/src/settings.cpp
index 11dd96e02..d1762596c 100644
--- a/src/settings.cpp
+++ b/src/settings.cpp
@@ -61,6 +61,7 @@ bool source_latest {false};
 bool source_separate {false};
 bool source_write {true};
 bool surf_source_write {false};
+bool surf_mcpl_write {false};
 bool surf_source_read {false};
 bool survival_biasing {false};
 bool temperature_multipole {false};
@@ -682,9 +683,14 @@ void read_settings_xml()
       max_surface_particles =
         std::stoll(get_node_value(node_ssw, "max_particles"));
     }
+#ifdef OPENMC_MCPL
+    if(check_for_node(node_ssw, "mcpl")){
+      surf_mcpl_write=true;
+    }
+#endif
   }
 
-  // If source is not seperate and is to be written out in the statepoint file,
+  // If source is not separate and is to be written out in the statepoint file,
   // make sure that the sourcepoint batch numbers are contained in the
   // statepoint list
   if (!source_separate) {

From 172c518f0e161d0176385c67d3717ad9fb229038 Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erkn@fysik.dtu.dk>
Date: Wed, 5 Oct 2022 10:59:28 +0200
Subject: [PATCH 1051/2654] fix typo

---
 src/simulation.cpp | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/src/simulation.cpp b/src/simulation.cpp
index 05c8c0450..353ef9926 100644
--- a/src/simulation.cpp
+++ b/src/simulation.cpp
@@ -409,7 +409,7 @@ void finalize_batch()
 
   if(settings::surf_mcpl_write && simulation::current_batch == settings::n_batches){
     auto filename = settings::path_output + ".mcpl";
-    write_mcplt_source_point(filename.c_str(), true);
+    write_mcpl_source_point(filename.c_str(), true);
   }
 
 

From 83e2921034f5c448d500b93634999cdb3f350e0b Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erkn@fysik.dtu.dk>
Date: Wed, 5 Oct 2022 11:00:39 +0200
Subject: [PATCH 1052/2654] add cond. compilation guards for MCPL functions

---
 src/state_point.cpp | 8 +++++---
 1 file changed, 5 insertions(+), 3 deletions(-)

diff --git a/src/state_point.cpp b/src/state_point.cpp
index babd670a2..7c1a45447 100644
--- a/src/state_point.cpp
+++ b/src/state_point.cpp
@@ -602,7 +602,8 @@ void write_source_point(const char* filename, bool surf_source_bank)
     file_close(file_id);
 }
 
-void write_mcpl_point(const char *filename, bool surf_source_bank)
+#ifdef OPENMC_MCPL
+void write_mcpl_source_point(const char *filename, bool surf_source_bank)
 {
   std::string filename_;
   if (filename) {
@@ -639,7 +640,7 @@ void write_mcpl_point(const char *filename, bool surf_source_bank)
   }
 
 }
-
+#endif
 
 void write_source_bank(hid_t group_id, bool surf_source_bank)
 {
@@ -757,6 +758,7 @@ void write_source_bank(hid_t group_id, bool surf_source_bank)
   H5Tclose(banktype);
 }
 
+#ifdef OPENMC_MCPL
 void write_mcpl_source_bank(mcpl_outfile_t file_id, bool surf_source_bank)
 {
   int64_t dims_size = settings::n_particles;
@@ -837,7 +839,7 @@ void write_mcpl_source_bank(mcpl_outfile_t file_id, bool surf_source_bank)
   }
 
 }
-
+#endif
 
 // Determine member names of a compound HDF5 datatype
 std::string dtype_member_names(hid_t dtype_id)

From 5e82bb2e1f1b2857375566f98669be6c93b22638 Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erik.knudsen@copenhagenatomics.com>
Date: Tue, 6 Sep 2022 09:12:01 +0200
Subject: [PATCH 1053/2654] expose a python function to check for mcpl

---
 openmc/lib/__init__.py | 3 +++
 src/source.cpp         | 6 ++++++
 2 files changed, 9 insertions(+)

diff --git a/openmc/lib/__init__.py b/openmc/lib/__init__.py
index c14b0d9c2..1e337fc07 100644
--- a/openmc/lib/__init__.py
+++ b/openmc/lib/__init__.py
@@ -48,6 +48,9 @@ def _coord_levels():
 def _libmesh_enabled():
     return c_bool.in_dll(_dll, "LIBMESH_ENABLED").value
 
+def _mcpl_enabled():
+    return c_bool.in_dll(_dll, "MCPL_ENABLED").value
+
 from .error import *
 from .core import *
 from .nuclide import *
diff --git a/src/source.cpp b/src/source.cpp
index 49e51c4b1..eace931d6 100644
--- a/src/source.cpp
+++ b/src/source.cpp
@@ -41,6 +41,12 @@ namespace openmc {
 // Global variables
 //==============================================================================
 
+#ifdef OPENMC_MCPL
+const bool MCPL_ENABLED = true;
+#else
+const bool MCPL_ENABLED = false;
+#endif
+
 namespace model {
 
 vector<unique_ptr<Source>> external_sources;

From 6038555def28547a0f392f0eeded8d8d49269d51 Mon Sep 17 00:00:00 2001
From: erkn <erik@vonbrun.org>
Date: Tue, 6 Sep 2022 02:22:21 +0200
Subject: [PATCH 1054/2654] wip add MCPL-out to openmc

code for writing a source_bank/point compiles but is untested
---
 include/openmc/state_point.h |   9 +++
 src/state_point.cpp          | 125 +++++++++++++++++++++++++++++++++++
 2 files changed, 134 insertions(+)

diff --git a/include/openmc/state_point.h b/include/openmc/state_point.h
index 5ada2bf88..2d92c935a 100644
--- a/include/openmc/state_point.h
+++ b/include/openmc/state_point.h
@@ -9,6 +9,10 @@
 #include "openmc/particle.h"
 #include "openmc/vector.h"
 
+#ifdef OPENMC_MCPL
+#include <mcpl.h>
+#endif
+
 namespace openmc {
 
 void load_state_point();
@@ -21,5 +25,10 @@ void write_tally_results_nr(hid_t file_id);
 void restart_set_keff();
 void write_unstructured_mesh_results();
 
+#ifdef OPENMC_MCPL
+void write_mcpl_source_point(const char *filename_, bool surf_source_bank = false);
+void write_mcpl_source_bank(mcpl_outfile_t file_id, bool surf_source_bank);
+#endif
+
 } // namespace openmc
 #endif // OPENMC_STATE_POINT_H
diff --git a/src/state_point.cpp b/src/state_point.cpp
index 9ea045915..babd670a2 100644
--- a/src/state_point.cpp
+++ b/src/state_point.cpp
@@ -28,6 +28,10 @@
 #include "openmc/timer.h"
 #include "openmc/vector.h"
 
+#ifdef OPENMC_MCPL
+#include <mcpl.h>
+#endif
+
 namespace openmc {
 
 extern "C" int openmc_statepoint_write(const char* filename, bool* write_source)
@@ -598,6 +602,45 @@ void write_source_point(const char* filename, bool surf_source_bank)
     file_close(file_id);
 }
 
+void write_mcpl_point(const char *filename, bool surf_source_bank)
+{
+  std::string filename_;
+  if (filename) {
+    filename_ = filename;
+  } else {
+    // Determine width for zero padding
+    int w = std::to_string(settings::n_max_batches).size();
+
+    filename_ = fmt::format("{0}source.{1:0{2}}.mcpl", settings::path_output,
+      simulation::current_batch, w);
+  }
+
+  mcpl_outfile_t file_id;
+
+  std::string line;
+  if (mpi::master) {
+    // this must be rewritten: file_open is h5-specific
+    file_id = mcpl_create_outfile(filename_.c_str());
+    //write_attribute(file_id, "filetype", "source");
+    //write header stuff (oopy in xml-files as binary blobs for instance))
+    if (VERSION_DEV){
+      line=fmt::format("OpenMC {VERSION_MAJOR}.{VERSION_MINOR}.{VERSION_RELEASE}-development");
+    } else {
+      line=fmt::format("OpenMC {VERSION_MAJOR}.{VERSION_MINOR}.{VERSION_RELEASE}");
+    }
+    mcpl_hdr_set_srcname(file_id,line.c_str());
+  }
+
+  write_mcpl_source_bank(file_id, surf_source_bank);
+
+  if (mpi::master) {
+    //change this - this is h5 specific
+    mcpl_closeandgzip_outfile(file_id);
+  }
+
+}
+
+
 void write_source_bank(hid_t group_id, bool surf_source_bank)
 {
   hid_t banktype = h5banktype();
@@ -714,6 +757,88 @@ void write_source_bank(hid_t group_id, bool surf_source_bank)
   H5Tclose(banktype);
 }
 
+void write_mcpl_source_bank(mcpl_outfile_t file_id, bool surf_source_bank)
+{
+  int64_t dims_size = settings::n_particles;
+  int64_t count_size = simulation::work_per_rank;
+
+  // Set vectors for source bank and starting bank index of each process
+  vector<int64_t>* bank_index = &simulation::work_index;
+  vector<SourceSite>* source_bank = &simulation::source_bank;
+  vector<int64_t> surf_source_index_vector;
+  vector<SourceSite> surf_source_bank_vector;
+
+  if(surf_source_bank) {
+    surf_source_index_vector = calculate_surf_source_size();
+    dims_size = surf_source_index_vector[mpi::n_procs];
+    count_size = simulation::surf_source_bank.size();
+
+    bank_index = &surf_source_index_vector;
+
+    // Copy data in a SharedArray into a vector.
+    surf_source_bank_vector.resize(count_size);
+    surf_source_bank_vector.assign(simulation::surf_source_bank.data(),
+      simulation::surf_source_bank.data() + count_size);
+    source_bank = &surf_source_bank_vector;
+  }
+
+  if (mpi::master) {
+    //write particles from the master node
+    //loop over the other nodes and receive data - then write those.
+    for (int i = 0; i < mpi::n_procs; ++i) {
+#ifdef OPENMC_MPI
+      if (i>0)
+        MPI_Recv(source_bank->data(), count[0], mpi::source_site, i, i,
+          mpi::intracomm, MPI_STATUS_IGNORE);
+#endif
+      //now write the source_banke data again.
+      for (vector<SourceSite>::iterator _site=source_bank->begin(); _site!=source_bank->end();_site++){
+        //particle is now at the iterator
+        //write it to the mcpl-file
+        mcpl_particle_t p;
+        p.position[0]=_site->r.x;
+        p.position[1]=_site->r.y;
+        p.position[2]=_site->r.z;
+
+        p.direction[0]=_site->u.x;
+        p.direction[1]=_site->u.y;
+        p.direction[2]=_site->u.x;
+
+        //mcpl stores kinetic energy in MeV
+        p.ekin=_site->E*1e-6;
+
+        p.time=_site->time*1e3;
+
+        p.weight=_site->wgt;
+
+        switch(_site->particle){
+          case ParticleType::neutron:
+            p.pdgcode=2112;
+            break;
+          case ParticleType::photon:
+            p.pdgcode=22;
+            break;
+          case ParticleType::electron:
+            p.pdgcode=11;
+            break;
+          case ParticleType::positron:
+            p.pdgcode=-11;
+            break;
+        }
+
+        mcpl_add_particle(file_id,&p);
+      }
+    }
+  } else {
+#ifdef OPENMC_MPI
+    MPI_Send(source_bank->data(), count_size, mpi::source_site, 0, mpi::rank,
+      mpi::intracomm);
+#endif
+  }
+
+}
+
+
 // Determine member names of a compound HDF5 datatype
 std::string dtype_member_names(hid_t dtype_id)
 {

From 2ba7f8d1882cf5e2562b473e233b4ca84ab81080 Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erik.knudsen@copenhagenatomics.com>
Date: Tue, 6 Sep 2022 23:06:19 +0200
Subject: [PATCH 1055/2654] add a trigger to simulation control

---
 src/simulation.cpp | 7 +++++++
 1 file changed, 7 insertions(+)

diff --git a/src/simulation.cpp b/src/simulation.cpp
index b70535c33..05c8c0450 100644
--- a/src/simulation.cpp
+++ b/src/simulation.cpp
@@ -406,6 +406,13 @@ void finalize_batch()
     auto filename = settings::path_output + "surface_source.h5";
     write_source_point(filename.c_str(), true);
   }
+
+  if(settings::surf_mcpl_write && simulation::current_batch == settings::n_batches){
+    auto filename = settings::path_output + ".mcpl";
+    write_mcplt_source_point(filename.c_str(), true);
+  }
+
+
 }
 
 void initialize_generation()

From 91cd304f0e4fd32eb6df0bdb75dd3f7d169013ce Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erkn@fysik.dtu.dk>
Date: Wed, 5 Oct 2022 10:56:36 +0200
Subject: [PATCH 1056/2654] use find_package instead - MCPL now supports this

---
 CMakeLists.txt | 20 ++++++++++++--------
 1 file changed, 12 insertions(+), 8 deletions(-)

diff --git a/CMakeLists.txt b/CMakeLists.txt
index be56f1c12..98dc4fcaf 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -128,6 +128,13 @@ if(${HDF5_VERSION} VERSION_GREATER_EQUAL 1.12.0)
   list(APPEND cxxflags -DH5Oget_info_by_idx_vers=1 -DH5O_info_t_vers=1)
 endif()
 
+#===============================================================================
+# MCPL
+#===============================================================================
+if (OPENMC_USE_MCPL)
+  find_package(MCPL REQUIRED)
+endif()
+
 #===============================================================================
 # Set compile/link flags based on which compiler is being used
 #===============================================================================
@@ -155,10 +162,6 @@ if(OPENMC_ENABLE_COVERAGE)
   list(APPEND ldflags --coverage)
 endif()
 
-if(OPENMC_USE_MCPL)
-  list(APPEND ldflags -lmcpl)
-endif()
-
 # Show flags being used
 message(STATUS "OpenMC C++ flags: ${cxxflags}")
 message(STATUS "OpenMC Linker flags: ${ldflags}")
@@ -413,10 +416,6 @@ endif()
 if (OPENMC_USE_MPI)
   target_compile_definitions(libopenmc PUBLIC -DOPENMC_MPI)
 endif()
-if(OPENMC_USE_MCPL)
-  target_compile_definitions(libopenmc PUBLIC -DOPENMC_MCPL)
-endif()
-
 
 # Set git SHA1 hash as a compile definition
 if(GIT_FOUND)
@@ -460,6 +459,11 @@ if (OPENMC_USE_MPI)
   target_link_libraries(libopenmc MPI::MPI_CXX)
 endif()
 
+if (OPENMC_USE_MCPL)
+  target_compile_definitions(libopenmc PUBLIC OPENMC_MCPL)
+  target_link_libraries(libopenmc MCPL::mcpl)
+endif()
+
 #===============================================================================
 # openmc executable
 #===============================================================================

From 9b58c2f6dc93c4c51ce6ee7a26e7ffc645434020 Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erkn@fysik.dtu.dk>
Date: Wed, 5 Oct 2022 10:59:02 +0200
Subject: [PATCH 1057/2654] add mcpl-output settings

---
 include/openmc/settings.h | 1 +
 src/settings.cpp          | 8 +++++++-
 2 files changed, 8 insertions(+), 1 deletion(-)

diff --git a/include/openmc/settings.h b/include/openmc/settings.h
index 1e061b235..66825867d 100644
--- a/include/openmc/settings.h
+++ b/include/openmc/settings.h
@@ -48,6 +48,7 @@ extern bool source_latest;         //!< write latest source at each batch?
 extern bool source_separate;       //!< write source to separate file?
 extern bool source_write;          //!< write source in HDF5 files?
 extern bool surf_source_write;     //!< write surface source file?
+extern bool surf_mcpl_write;       //!< write surface mcpl file?
 extern bool surf_source_read;      //!< read surface source file?
 extern bool survival_biasing;      //!< use survival biasing?
 extern bool temperature_multipole; //!< use multipole data?
diff --git a/src/settings.cpp b/src/settings.cpp
index 11dd96e02..d1762596c 100644
--- a/src/settings.cpp
+++ b/src/settings.cpp
@@ -61,6 +61,7 @@ bool source_latest {false};
 bool source_separate {false};
 bool source_write {true};
 bool surf_source_write {false};
+bool surf_mcpl_write {false};
 bool surf_source_read {false};
 bool survival_biasing {false};
 bool temperature_multipole {false};
@@ -682,9 +683,14 @@ void read_settings_xml()
       max_surface_particles =
         std::stoll(get_node_value(node_ssw, "max_particles"));
     }
+#ifdef OPENMC_MCPL
+    if(check_for_node(node_ssw, "mcpl")){
+      surf_mcpl_write=true;
+    }
+#endif
   }
 
-  // If source is not seperate and is to be written out in the statepoint file,
+  // If source is not separate and is to be written out in the statepoint file,
   // make sure that the sourcepoint batch numbers are contained in the
   // statepoint list
   if (!source_separate) {

From 43538ac2021f36caf0d72e002a119a806aa14b71 Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erkn@fysik.dtu.dk>
Date: Wed, 5 Oct 2022 10:59:28 +0200
Subject: [PATCH 1058/2654] fix typo

---
 src/simulation.cpp | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/src/simulation.cpp b/src/simulation.cpp
index 05c8c0450..353ef9926 100644
--- a/src/simulation.cpp
+++ b/src/simulation.cpp
@@ -409,7 +409,7 @@ void finalize_batch()
 
   if(settings::surf_mcpl_write && simulation::current_batch == settings::n_batches){
     auto filename = settings::path_output + ".mcpl";
-    write_mcplt_source_point(filename.c_str(), true);
+    write_mcpl_source_point(filename.c_str(), true);
   }
 
 

From cba745b28b6e384311393c177456b518b60b4f55 Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erkn@fysik.dtu.dk>
Date: Wed, 5 Oct 2022 11:00:39 +0200
Subject: [PATCH 1059/2654] add cond. compilation guards for MCPL functions

---
 src/state_point.cpp | 8 +++++---
 1 file changed, 5 insertions(+), 3 deletions(-)

diff --git a/src/state_point.cpp b/src/state_point.cpp
index babd670a2..7c1a45447 100644
--- a/src/state_point.cpp
+++ b/src/state_point.cpp
@@ -602,7 +602,8 @@ void write_source_point(const char* filename, bool surf_source_bank)
     file_close(file_id);
 }
 
-void write_mcpl_point(const char *filename, bool surf_source_bank)
+#ifdef OPENMC_MCPL
+void write_mcpl_source_point(const char *filename, bool surf_source_bank)
 {
   std::string filename_;
   if (filename) {
@@ -639,7 +640,7 @@ void write_mcpl_point(const char *filename, bool surf_source_bank)
   }
 
 }
-
+#endif
 
 void write_source_bank(hid_t group_id, bool surf_source_bank)
 {
@@ -757,6 +758,7 @@ void write_source_bank(hid_t group_id, bool surf_source_bank)
   H5Tclose(banktype);
 }
 
+#ifdef OPENMC_MCPL
 void write_mcpl_source_bank(mcpl_outfile_t file_id, bool surf_source_bank)
 {
   int64_t dims_size = settings::n_particles;
@@ -837,7 +839,7 @@ void write_mcpl_source_bank(mcpl_outfile_t file_id, bool surf_source_bank)
   }
 
 }
-
+#endif
 
 // Determine member names of a compound HDF5 datatype
 std::string dtype_member_names(hid_t dtype_id)

From 179df586853b65600518a0ea62526cc2193e0206 Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erik.knudsen@copenhagenatomics.com>
Date: Fri, 16 Sep 2022 16:07:22 +0200
Subject: [PATCH 1060/2654] refactor MCPL file read part of FileSource

A new constructor is added to FileSource that reads from
a given MCPL-file.
---
 src/source.cpp | 73 ++++++++++++++++++++++++++++++++++++++++++++++++++
 1 file changed, 73 insertions(+)

diff --git a/src/source.cpp b/src/source.cpp
index eace931d6..bd76969d1 100644
--- a/src/source.cpp
+++ b/src/source.cpp
@@ -391,6 +391,79 @@ CustomSourceWrapper::~CustomSourceWrapper()
 }
 
 
+MCPLFileSource::~MCPLFileSource(){
+  mcpl_close_file(mcpl_file);
+}
+
+SourceSite MCPLFileSource::sample(uint64_t* seed) const
+{
+  size_t i_site = sites_.size() * prn(seed);
+  return sites_[i_site];
+}
+
+void MCPLFileSource::read_source_bank(vector<SourceSite> &sites_)
+{
+  sites_.resize(n_sites);
+  for (int i=0;i<n_sites;i++){
+    sites_[i]=read_single_particle();
+  }
+}
+
+SourceSite MCPLFileSource::read_single_particle() const
+{
+  SourceSite omc_particle_;
+  const mcpl_particle_t *mcpl_particle;
+  // extract particle from mcpl-file
+  mcpl_particle=mcpl_read(mcpl_file);
+  // check if it is a neutron, photon, electron, or positron. Otherwise skip.
+  int pdg=mcpl_particle->pdgcode;
+  while ( pdg!=2112 && pdg!=22 && pdg!=11 && pdg!=-11) {
+    mcpl_particle=mcpl_read(mcpl_file);
+    pdg=mcpl_particle->pdgcode;
+    //should check for file exhaustion. This could happen if particles are other than
+    //neutrons, photons, electrons, or positrons.
+  }
+
+  switch(pdg){
+    case 2112:
+      omc_particle_.particle=ParticleType::neutron;
+      break;
+    case 22:
+      omc_particle_.particle=ParticleType::photon;
+      break;
+    case 11:
+      omc_particle_.particle=ParticleType::electron;
+      break;
+    case -11:
+      omc_particle_.particle=ParticleType::positron;
+      break;
+  }
+
+  //particle is good, convert to openmc-formalism
+  omc_particle_.r.x=mcpl_particle->position[0];
+  omc_particle_.r.y=mcpl_particle->position[1];
+  omc_particle_.r.z=mcpl_particle->position[2];
+
+  omc_particle_.u.x=mcpl_particle->direction[0];
+  omc_particle_.u.y=mcpl_particle->direction[1];
+  omc_particle_.u.z=mcpl_particle->direction[2];
+
+  //mcpl stores kinetic energy in MeV
+  omc_particle_.E=mcpl_particle->ekin*1e6;
+  //mcpl stores time in ms
+  omc_particle_.time=mcpl_particle->time*1e-3;
+  omc_particle_.wgt=mcpl_particle->weight;
+  omc_particle_.delayed_group=0;
+  return omc_particle_;
+}
+#endif //OPENMC_MCPL
+=======
+>>>>>>> 380cfc150b449ef56debb5261caa010a52c42bdd
+=======
+#endif
+>>>>>>> 71568d4f4 (refactor MCPL file read part of FileSource)
+>>>>>>> 55f2be19e (refactor MCPL file read part of FileSource)
+
 //==============================================================================
 // Non-member functions
 //==============================================================================

From e3fbeac636c2e9a47599c60e04b2a1ba4d9ba46d Mon Sep 17 00:00:00 2001
From: erkn <erik@vonbrun.org>
Date: Tue, 6 Sep 2022 02:22:21 +0200
Subject: [PATCH 1061/2654] wip add MCPL-out to openmc

code for writing a source_bank/point compiles but is untested
---
 src/source.cpp      | 6 ------
 src/state_point.cpp | 1 +
 2 files changed, 1 insertion(+), 6 deletions(-)

diff --git a/src/source.cpp b/src/source.cpp
index bd76969d1..f205a0a25 100644
--- a/src/source.cpp
+++ b/src/source.cpp
@@ -457,12 +457,6 @@ SourceSite MCPLFileSource::read_single_particle() const
   return omc_particle_;
 }
 #endif //OPENMC_MCPL
-=======
->>>>>>> 380cfc150b449ef56debb5261caa010a52c42bdd
-=======
-#endif
->>>>>>> 71568d4f4 (refactor MCPL file read part of FileSource)
->>>>>>> 55f2be19e (refactor MCPL file read part of FileSource)
 
 //==============================================================================
 // Non-member functions
diff --git a/src/state_point.cpp b/src/state_point.cpp
index 7c1a45447..31979c0c5 100644
--- a/src/state_point.cpp
+++ b/src/state_point.cpp
@@ -642,6 +642,7 @@ void write_mcpl_source_point(const char *filename, bool surf_source_bank)
 }
 #endif
 
+
 void write_source_bank(hid_t group_id, bool surf_source_bank)
 {
   hid_t banktype = h5banktype();

From 3b7c4f6d2f141311cba5ad9e5f773b3bc3381852 Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erik.knudsen@copenhagenatomics.com>
Date: Tue, 4 Oct 2022 10:11:06 +0200
Subject: [PATCH 1062/2654] do not define these functions if no MCPL present

---
 src/state_point.cpp | 1 -
 1 file changed, 1 deletion(-)

diff --git a/src/state_point.cpp b/src/state_point.cpp
index 31979c0c5..7c1a45447 100644
--- a/src/state_point.cpp
+++ b/src/state_point.cpp
@@ -642,7 +642,6 @@ void write_mcpl_source_point(const char *filename, bool surf_source_bank)
 }
 #endif
 
-
 void write_source_bank(hid_t group_id, bool surf_source_bank)
 {
   hid_t banktype = h5banktype();

From 6a9a1ad2937b40c7a23fc16086518b2f99bac297 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Wed, 5 Oct 2022 11:46:00 +0100
Subject: [PATCH 1063/2654] added phi_grid_bounds to CylindricalMesh tests

---
 tests/unit_tests/test_mesh_from_domain.py | 16 ++++++++++------
 1 file changed, 10 insertions(+), 6 deletions(-)

diff --git a/tests/unit_tests/test_mesh_from_domain.py b/tests/unit_tests/test_mesh_from_domain.py
index cbc32b8fa..b4edae196 100644
--- a/tests/unit_tests/test_mesh_from_domain.py
+++ b/tests/unit_tests/test_mesh_from_domain.py
@@ -40,24 +40,28 @@ def test_reg_mesh_from_region():
 
     mesh = openmc.RegularMesh.from_domain(region)
     assert isinstance(mesh, openmc.RegularMesh)
-    assert np.array_equal(mesh.dimension, (100, 100, 100))  # default values
+    assert np.array_equal(mesh.dimension, (10, 10, 10))  # default values
     assert np.array_equal(mesh.lower_left, region.bounding_box[0])
     assert np.array_equal(mesh.upper_right, region.bounding_box[1])
 
 
 def test_cylindrical_mesh_from_region():
     """Tests a CylindricalMesh can be made from a Region and the specified
-    dimensions are propagated through. Cell is centralized"""
+    dimensions and phi_grid_bounds are propagated through. Cell is centralized"""
     cy_surface = openmc.ZCylinder(r=6)
     z_surface_1 = openmc.ZPlane(z0=30)
     z_surface_2 = openmc.ZPlane(z0=-30)
     cell = openmc.Cell(region=-cy_surface & -z_surface_1 & +z_surface_2)
-    mesh = openmc.CylindricalMesh.from_domain(cell, dimension=[6, 2, 3])
+    mesh = openmc.CylindricalMesh.from_domain(
+        cell,
+        dimension=(6, 2, 3),
+        phi_grid_bounds=(0., np.pi)
+    )
 
     assert isinstance(mesh, openmc.CylindricalMesh)
     assert np.array_equal(mesh.dimension, (6, 2, 3))
     assert np.array_equal(mesh.r_grid, [0., 1., 2., 3., 4., 5., 6.])
-    assert np.array_equal(mesh.phi_grid, [0., np.pi, 2.*np.pi])
+    assert np.array_equal(mesh.phi_grid, [0., 0.5*np.pi, np.pi])
     assert np.array_equal(mesh.z_grid, [-30., -10., 10., 30.])
 
 
@@ -70,7 +74,7 @@ def test_reg_mesh_from_universe():
 
     mesh = openmc.RegularMesh.from_domain(universe)
     assert isinstance(mesh, openmc.RegularMesh)
-    assert np.array_equal(mesh.dimension, (100, 100, 100))  # default values
+    assert np.array_equal(mesh.dimension, (10, 10, 10))  # default values
     assert np.array_equal(mesh.lower_left, universe.bounding_box[0])
     assert np.array_equal(mesh.upper_right, universe.bounding_box[1])
 
@@ -85,7 +89,7 @@ def test_reg_mesh_from_geometry():
 
     mesh = openmc.RegularMesh.from_domain(geometry)
     assert isinstance(mesh, openmc.RegularMesh)
-    assert np.array_equal(mesh.dimension, (100, 100, 100))  # default values
+    assert np.array_equal(mesh.dimension, (10, 10, 10))  # default values
     assert np.array_equal(mesh.lower_left, geometry.bounding_box[0])
     assert np.array_equal(mesh.upper_right, geometry.bounding_box[1])
 

From 982377b0cdfc573469aad799852a0f2dd50b2e68 Mon Sep 17 00:00:00 2001
From: erkn <erik@vonbrun.org>
Date: Wed, 5 Oct 2022 14:31:05 +0200
Subject: [PATCH 1064/2654] fix misnamed variable and remove accientally
 committed code

---
 src/source.cpp | 169 ++-----------------------------------------------
 1 file changed, 4 insertions(+), 165 deletions(-)

diff --git a/src/source.cpp b/src/source.cpp
index e1891c5e9..e35734747 100644
--- a/src/source.cpp
+++ b/src/source.cpp
@@ -308,16 +308,16 @@ FileSource::FileSource(mcpl_file_t mcpl_file)
 
     switch(pdg){
       case 2112:
-        omc_particle_.particle=ParticleType::neutron;
+        site_.particle=ParticleType::neutron;
         break;
       case 22:
-        omc_particle_.particle=ParticleType::photon;
+        site_.particle=ParticleType::photon;
         break;
       case 11:
-        omc_particle_.particle=ParticleType::electron;
+        site_.particle=ParticleType::electron;
         break;
       case -11:
-        omc_particle_.particle=ParticleType::positron;
+        site_.particle=ParticleType::positron;
         break;
     }
 
@@ -401,167 +401,6 @@ CustomSourceWrapper::~CustomSourceWrapper()
 #endif
 }
 
-<<<<<<< HEAD
-<<<<<<< HEAD
-#ifdef OPENMC_MCPL
-//===========================================================================
-// Read particles from an MCPL-file
-//===========================================================================
-MCPLFileSource::MCPLFileSource(std::string path)
-{
-  // Check if source file exists
-  if (!file_exists(path)) {
-    fatal_error(fmt::format("Source file '{}' does not exist.", path));
-  }
-
-  // Read the source from a binary file instead of sampling from some
-  // assumed source distribution
-  write_message(6, "Reading mcpl source file from {}",path);
-
-  // Open the mcpl file
-  mcpl_file = mcpl_open_file(path.c_str());
-
-  //do checks on the mcpl_file to see if particles are many enough.
-  // should model this on the example source shown in the docs.
-  n_sites=mcpl_hdr_nparticles(mcpl_file);
-
-  read_source_bank(sites_);
-}
-<<<<<<< HEAD
-
-MCPLFileSource::~MCPLFileSource(){
-  mcpl_close_file(mcpl_file);
-}
-
-SourceSite MCPLFileSource::sample(uint64_t* seed) const
-{
-  size_t i_site = sites_.size() * prn(seed);
-  return sites_[i_site];
-}
-
-void MCPLFileSource::read_source_bank(vector<SourceSite> &sites_)
-{
-  sites_.resize(n_sites);
-  for (int i=0;i<n_sites;i++){
-    sites_[i]=read_single_particle();
-  }
-}
-
-SourceSite MCPLFileSource::read_single_particle() const
-{
-  SourceSite omc_particle_;
-  const mcpl_particle_t *mcpl_particle;
-  // extract particle from mcpl-file
-  mcpl_particle=mcpl_read(mcpl_file);
-  // check if it is a neutron, photon, electron, or positron. Otherwise skip.
-  int pdg=mcpl_particle->pdgcode;
-  while ( pdg!=2112 && pdg!=22 && pdg!=11 && pdg!=-11) {
-    mcpl_particle=mcpl_read(mcpl_file);
-    pdg=mcpl_particle->pdgcode;
-    //should check for file exhaustion. This could happen if particles are other than
-    //neutrons, photons, electrons, or positrons.
-  }
-
-  switch(pdg){
-    case 2112:
-      omc_particle_.particle=ParticleType::neutron;
-      break;
-    case 22:
-      omc_particle_.particle=ParticleType::photon;
-      break;
-    case 11:
-      omc_particle_.particle=ParticleType::electron;
-      break;
-    case -11:
-      omc_particle_.particle=ParticleType::positron;
-      break;
-  }
-
-  //particle is good, convert to openmc-formalism
-  omc_particle_.r.x=mcpl_particle->position[0];
-  omc_particle_.r.y=mcpl_particle->position[1];
-  omc_particle_.r.z=mcpl_particle->position[2];
-
-  omc_particle_.u.x=mcpl_particle->direction[0];
-  omc_particle_.u.y=mcpl_particle->direction[1];
-  omc_particle_.u.z=mcpl_particle->direction[2];
-
-  //mcpl stores kinetic energy in MeV
-  omc_particle_.E=mcpl_particle->ekin*1e6;
-  //mcpl stores time in ms
-  omc_particle_.time=mcpl_particle->time*1e-3;
-  omc_particle_.wgt=mcpl_particle->weight;
-  omc_particle_.delayed_group=0;
-  return omc_particle_;
-}
-#endif //OPENMC_MCPL
-
-MCPLFileSource::~MCPLFileSource(){
-  mcpl_close_file(mcpl_file);
-}
-
-SourceSite MCPLFileSource::sample(uint64_t* seed) const
-{
-  size_t i_site = sites_.size() * prn(seed);
-  return sites_[i_site];
-}
-
-void MCPLFileSource::read_source_bank(vector<SourceSite> &sites_)
-{
-  sites_.resize(n_sites);
-  for (int i=0;i<n_sites;i++){
-    sites_[i]=read_single_particle();
-  }
-}
-
-SourceSite MCPLFileSource::read_single_particle() const
-{
-  SourceSite omc_particle_;
-  const mcpl_particle_t *mcpl_particle;
-  // extract particle from mcpl-file
-  mcpl_particle=mcpl_read(mcpl_file);
-  // check if it is a neutron, photon, electron, or positron. Otherwise skip.
-  int pdg=mcpl_particle->pdgcode;
-  while ( pdg!=2112 && pdg!=22 && pdg!=11 && pdg!=-11) {
-    mcpl_particle=mcpl_read(mcpl_file);
-    pdg=mcpl_particle->pdgcode;
-    //should check for file exhaustion. This could happen if particles are other than
-    //neutrons, photons, electrons, or positrons.
-  }
-
-  switch(pdg){
-    case 2112:
-      omc_particle_.particle=ParticleType::neutron;
-      break;
-    case 22:
-      omc_particle_.particle=ParticleType::photon;
-      break;
-    case 11:
-      omc_particle_.particle=ParticleType::electron;
-      break;
-    case -11:
-      omc_particle_.particle=ParticleType::positron;
-      break;
-  }
-
-  //particle is good, convert to openmc-formalism
-  omc_particle_.r.x=mcpl_particle->position[0];
-  omc_particle_.r.y=mcpl_particle->position[1];
-  omc_particle_.r.z=mcpl_particle->position[2];
-
-  omc_particle_.u.x=mcpl_particle->direction[0];
-  omc_particle_.u.y=mcpl_particle->direction[1];
-  omc_particle_.u.z=mcpl_particle->direction[2];
-
-  //mcpl stores kinetic energy in MeV
-  omc_particle_.E=mcpl_particle->ekin*1e6;
-  //mcpl stores time in ms
-  omc_particle_.time=mcpl_particle->time*1e-3;
-  omc_particle_.wgt=mcpl_particle->weight;
-  omc_particle_.delayed_group=0;
-  return omc_particle_;
-}
-#endif //OPENMC_MCPL
 
 //==============================================================================
 // Non-member functions

From 004199c49d43031e9737f0f70b5b9ae66626c654 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 5 Oct 2022 09:08:02 -0500
Subject: [PATCH 1065/2654] Handle possibility of .ppm file in Universe.plot

---
 openmc/plots.py    | 4 +++-
 openmc/universe.py | 5 ++++-
 2 files changed, 7 insertions(+), 2 deletions(-)

diff --git a/openmc/plots.py b/openmc/plots.py
index b22ee9125..2708683b1 100644
--- a/openmc/plots.py
+++ b/openmc/plots.py
@@ -171,7 +171,9 @@ def _get_plot_image(plot, cwd):
     stem = plot.filename if plot.filename is not None else f'plot_{plot.id}'
     png_file = Path(cwd) / f'{stem}.png'
     if not png_file.exists():
-        raise FileNotFoundError(f"Could not find .png image for plot {plot.id}")
+        raise FileNotFoundError(
+            f"Could not find .png image for plot {plot.id}. Your version of "
+            "OpenMC may not be built against libpng.")
 
     return Image(str(png_file))
 
diff --git a/openmc/universe.py b/openmc/universe.py
index 0c8a26a48..db828e33c 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -358,7 +358,10 @@ class Universe(UniverseBase):
             model.plot_geometry(False, cwd=tmpdir, openmc_exec=openmc_exec)
 
             # Read image from file
-            img = mpimg.imread(Path(tmpdir) / f'plot_{plot.id}.png')
+            img_path = Path(tmpdir) / f'plot_{plot.id}.png'
+            if not img_path.is_file():
+                img_path = img_path.with_suffix('.ppm')
+            img = mpimg.imread(img_path)
 
             # Create a figure sized such that the size of the axes within
             # exactly matches the number of pixels specified

From fe04a839c289acc094ef97dd111eb65d2c4836ae Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 5 Oct 2022 14:28:18 -0500
Subject: [PATCH 1066/2654] Make sure Material.decay_photon_energy works with
 no unstable nuclides

---
 openmc/data/decay.py              | 12 ++++++------
 openmc/material.py                | 11 ++++++-----
 tests/unit_tests/test_material.py |  6 ++++++
 3 files changed, 18 insertions(+), 11 deletions(-)

diff --git a/openmc/data/decay.py b/openmc/data/decay.py
index d7ededf33..801ef4410 100644
--- a/openmc/data/decay.py
+++ b/openmc/data/decay.py
@@ -1,10 +1,9 @@
 from collections.abc import Iterable
 from io import StringIO
 from math import log
-from pathlib import Path
 import re
+from typing import Optional
 from warnings import warn
-from xml.etree import ElementTree as ET
 
 import numpy as np
 from uncertainties import ufloat, UFloat
@@ -579,7 +578,7 @@ class Decay(EqualityMixin):
 _DECAY_PHOTON_ENERGY = {}
 
 
-def decay_photon_energy(nuclide: str) -> Univariate:
+def decay_photon_energy(nuclide: str) -> Optional[Univariate]:
     """Get photon energy distribution resulting from the decay of a nuclide
 
     This function relies on data stored in a depletion chain. Before calling it
@@ -595,9 +594,10 @@ def decay_photon_energy(nuclide: str) -> Univariate:
 
     Returns
     -------
-    openmc.stats.Univariate
-        Distribution of energies in [eV] of photons emitted from decay. Note
-        that the probabilities represent intensities, given as [decay/sec].
+    openmc.stats.Univariate or None
+        Distribution of energies in [eV] of photons emitted from decay, or None
+        if no photon source exists. Note that the probabilities represent
+        intensities, given as [decay/sec].
     """
     if not _DECAY_PHOTON_ENERGY:
         chain_file = openmc.config.get('chain_file')
diff --git a/openmc/material.py b/openmc/material.py
index 16b5a3048..e99eec52c 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -92,10 +92,11 @@ class Material(IDManagerMixin):
     fissionable_mass : float
         Mass of fissionable nuclides in the material in [g]. Requires that the
         :attr:`volume` attribute is set.
-    decay_photon_energy : openmc.stats.Univariate
+    decay_photon_energy : openmc.stats.Univariate or None
         Energy distribution of photons emitted from decay of unstable nuclides
-        within the material. The integral of this distribution is the total
-        intensity of the photon source in [decay/sec].
+        within the material, or None if no photon source exists. The integral of
+        this distribution is the total intensity of the photon source in
+        [decay/sec].
 
         .. versionadded:: 0.14.0
 
@@ -264,7 +265,7 @@ class Material(IDManagerMixin):
         return density*self.volume
 
     @property
-    def decay_photon_energy(self) -> Univariate:
+    def decay_photon_energy(self) -> Optional[Univariate]:
         atoms = self.get_nuclide_atoms()
         dists = []
         probs = []
@@ -273,7 +274,7 @@ class Material(IDManagerMixin):
             if source_per_atom is not None:
                 dists.append(source_per_atom)
                 probs.append(num_atoms)
-        return openmc.data.combine_distributions(dists, probs)
+        return openmc.data.combine_distributions(dists, probs) if dists else None
 
     @classmethod
     def from_hdf5(cls, group: h5py.Group):
diff --git a/tests/unit_tests/test_material.py b/tests/unit_tests/test_material.py
index 58df246dd..80935d68d 100644
--- a/tests/unit_tests/test_material.py
+++ b/tests/unit_tests/test_material.py
@@ -573,3 +573,9 @@ def test_decay_photon_energy():
     assert src.integral() == pytest.approx(sum(
         intensity(decay_photon_energy(nuc)) for nuc in m.get_nuclides()
     ))
+
+    # A material with no unstable nuclides should have no decay photon source
+    stable = openmc.Material()
+    stable.add_nuclide('Gd156', 1.0)
+    stable.volume = 1.0
+    assert stable.decay_photon_energy is None

From 5582180e31668e76115ad6cdcaba6b38fa0210f6 Mon Sep 17 00:00:00 2001
From: Gavin Ridley <gavin.keith.ridley@gmail.com>
Date: Wed, 5 Oct 2022 17:45:51 -0400
Subject: [PATCH 1067/2654] Can now print build info

---
 CMakeLists.txt          | 13 ++++++++++
 include/openmc/output.h |  3 +++
 src/initialize.cpp      |  4 +++
 src/output.cpp          | 56 +++++++++++++++++++++++++++++++++++++++++
 4 files changed, 76 insertions(+)

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 521b46cfc..ad1478de8 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -482,6 +482,19 @@ if (OPENMC_USE_MPI)
   target_link_libraries(libopenmc MPI::MPI_CXX)
 endif()
 
+#===============================================================================
+# Log build info that this executable can report later
+#===============================================================================
+target_compile_definitions(libopenmc PRIVATE BUILD_TYPE=${CMAKE_BUILD_TYPE})
+target_compile_definitions(libopenmc PRIVATE COMPILER_ID=${CMAKE_CXX_COMPILER_ID})
+target_compile_definitions(libopenmc PRIVATE COMPILER_VERSION=${CMAKE_CXX_COMPILER_VERSION})
+if (OPENMC_ENABLE_PROFILE)
+    target_compile_definitions(libopenmc PRIVATE PROFILINGBUILD)
+endif()
+if (OPENMC_ENABLE_COVERAGE)
+    target_compile_definitions(libopenmc PRIVATE COVERAGEBUILD)
+endif()
+
 #===============================================================================
 # openmc executable
 #===============================================================================
diff --git a/include/openmc/output.h b/include/openmc/output.h
index 2ebe2711f..cf5b49607 100644
--- a/include/openmc/output.h
+++ b/include/openmc/output.h
@@ -40,6 +40,9 @@ void print_usage();
 //! Display current version and copright/license information
 void print_version();
 
+//! Display compile flags employed, etc
+void print_build_info();
+
 //! Display header listing what physical values will displayed
 void print_columns();
 
diff --git a/src/initialize.cpp b/src/initialize.cpp
index 9c20a1f3c..e2503bc6e 100644
--- a/src/initialize.cpp
+++ b/src/initialize.cpp
@@ -262,6 +262,10 @@ int parse_command_line(int argc, char* argv[])
         print_version();
         return OPENMC_E_UNASSIGNED;
 
+      } else if (arg == "-b" || arg == "--build-info") {
+        print_build_info();
+        return OPENMC_E_UNASSIGNED;
+
       } else if (arg == "-t" || arg == "--track") {
         settings::write_all_tracks = true;
 
diff --git a/src/output.cpp b/src/output.cpp
index 56fea4db9..5daf652dc 100644
--- a/src/output.cpp
+++ b/src/output.cpp
@@ -325,6 +325,7 @@ void print_usage()
       "max_tracks)\n"
       "  -e, --event            Run using event-based parallelism\n"
       "  -v, --version          Show version information\n"
+      "  -b, --build-info       Show compile options\n"
       "  -h, --help             Show this message\n");
   }
 }
@@ -347,6 +348,61 @@ void print_version()
 
 //==============================================================================
 
+void print_build_info()
+{
+  const std::string n("no");
+  const std::string y("yes");
+
+  std::string mpi(n);
+  std::string phdf5(n);
+  std::string dagmc(n);
+  std::string libmesh(n);
+  std::string png(n);
+  std::string profiling(n);
+  std::string coverage(n);
+
+#ifdef PHDF5
+  phdf5 = y;
+#endif
+#ifdef OPENMC_MPI
+  mpi = y;
+#endif
+#ifdef DAGMC
+  dagmc = y;
+#endif
+#ifdef LIBMESH
+  libmesh = y;
+#endif
+#ifdef USE_LIBPNG
+  png = y;
+#endif
+#ifdef PROFILINGBUILD
+  profiling = y;
+#endif
+#ifdef COVERAGEBUILD
+  coverage = y;
+#endif
+
+  // Wraps macro variables in quotes
+#define STRINGIFY(x) STRINGIFY2(x)
+#define STRINGIFY2(x) #x
+
+  if (mpi::master) {
+    fmt::print("Build type:            {}\n", STRINGIFY(BUILD_TYPE));
+    fmt::print("Compiler ID:           {} {}\n", STRINGIFY(COMPILER_ID),
+      STRINGIFY(COMPILER_VERSION));
+    fmt::print("MPI enabled:           {}\n", mpi);
+    fmt::print("Parallel HDF5 enabled: {}\n", phdf5);
+    fmt::print("PNG support:           {}\n", png);
+    fmt::print("DAGMC support:         {}\n", dagmc);
+    fmt::print("libMesh support:       {}\n", libmesh);
+    fmt::print("Coverage testing:      {}\n", coverage);
+    fmt::print("Profiling flags:       {}\n", profiling);
+  }
+}
+
+//==============================================================================
+
 void print_columns()
 {
   if (settings::entropy_on) {

From 12f088a5ce68c639c9772574eb69c4be5de452fe Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erkn@fysik.dtu.dk>
Date: Thu, 6 Oct 2022 01:33:21 +0200
Subject: [PATCH 1068/2654] must have a full filename

---
 src/simulation.cpp | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/src/simulation.cpp b/src/simulation.cpp
index 353ef9926..2c9e7e856 100644
--- a/src/simulation.cpp
+++ b/src/simulation.cpp
@@ -408,7 +408,7 @@ void finalize_batch()
   }
 
   if(settings::surf_mcpl_write && simulation::current_batch == settings::n_batches){
-    auto filename = settings::path_output + ".mcpl";
+    auto filename = settings::path_output + "surface_source.mcpl";
     write_mcpl_source_point(filename.c_str(), true);
   }
 

From 169d6d93dcee45696bef96c4cb9b8ec8b5659791 Mon Sep 17 00:00:00 2001
From: myerspat <myerspat@umich.edu>
Date: Wed, 5 Oct 2022 21:14:48 -0400
Subject: [PATCH 1069/2654] Added Doxygen comments to Region data and methods.
 Added default implementation for new void functions.

---
 include/openmc/cell.h | 58 +++++++++++++++++++++++++++++++++++++++----
 1 file changed, 53 insertions(+), 5 deletions(-)

diff --git a/include/openmc/cell.h b/include/openmc/cell.h
index 0891c062f..248c2b23d 100644
--- a/include/openmc/cell.h
+++ b/include/openmc/cell.h
@@ -62,34 +62,84 @@ public:
 
   //----------------------------------------------------------------------------
   // Methods
+
+  //! \brief Determine if a cell contains the particle at a given location.
+  //!
+  //! The bounds of the cell are determined by a logical expression involving
+  //! surface half-spaces. The expression used is given in infix notation
+  //!
+  //! The function is split into two cases, one for simple cells (those
+  //! involving only the intersection of half-spaces) and one for complex cells.
+  //! Both cases use short circuiting; however, in the case fo complex cells,
+  //! the complexity increases with the binary operators involved.
+  //! \param r The 3D Cartesian coordinate to check.
+  //! \param u A direction used to "break ties" the coordinates are very
+  //!   close to a surface.
+  //! \param on_surface The signed index of a surface that the coordinate is
+  //!   known to be on.  This index takes precedence over surface sense
+  //!   calculations.
+  bool contains(Position r, Direction u, int32_t on_surface) const;
+
+  //! Find the oncoming boundary of this cell.
   std::pair<double, int32_t> distance(
     Position r, Direction u, int32_t on_surface, Particle* p) const;
-  bool contains(Position r, Direction u, int32_t on_surface) const;
+
+  //! Get the BoundingBox for this cell.
   BoundingBox bounding_box(int32_t cell_id) const;
+
+  //! Get the CSG expression as a string
   std::string str() const;
+
+  //! Get a vector containing all the surfaces in the region expression
   vector<int32_t> surfaces() const;
 
   //----------------------------------------------------------------------------
   // Accessors
+
+  //! Get Boolean of if the cell is simple or not
   bool is_simple() const { return simple_; }
 
 private:
   //----------------------------------------------------------------------------
   // Private Methods
+
+  //! Get a vector of the region expression in postfix notation
   vector<int32_t> generate_postfix(int32_t cell_id) const;
+
+  //! Determine if a particle is inside the cell for a simple cell (only
+  //! intersection operators)
   bool contains_simple(Position r, Direction u, int32_t on_surface) const;
+
+  //! Determine if a particle is inside the cell for a complex cell.
+  //!
+  //! Uses the comobination of half-spaces and binary operators to determine
+  //! if short circuiting can be used. Short cicuiting uses the relative and
+  //! absolute depth of parenthases in the expression.
   bool contains_complex(Position r, Direction u, int32_t on_surface) const;
+
+  //! BoundingBox if the paritcle is in a simple cell.
   BoundingBox bounding_box_simple() const;
+
+  //! BoundingBox if the particle is in a complex cell.
   BoundingBox bounding_box_complex(vector<int32_t> postfix) const;
+
+  //! Enfource precedence: Parenthases, Complement, Intersection, Union
   void add_precedence();
+
+  //! Add parenthesis to enforce precedence
   std::vector<int32_t>::iterator add_parentheses(
     std::vector<int32_t>::iterator start);
+
+  //! Remove complement operators from the expression
   void remove_complement_ops();
+
+  //! Remove complement operators by using DeMorgan's laws
   void apply_demorgan(
     vector<int32_t>::iterator start, vector<int32_t>::iterator stop);
 
   //----------------------------------------------------------------------------
   // Private Data
+
   //! Definition of spatial region as Boolean expression of half-spaces
   // TODO: Should this be a vector of some other type
   vector<int32_t> expression_;
@@ -98,8 +148,6 @@ private:
 
 //==============================================================================
 
-// TODO: Think about what data members really need to live in this class versus
-// putting them in the Region class
 class Cell {
 public:
   //----------------------------------------------------------------------------
@@ -155,10 +203,10 @@ public:
   virtual BoundingBox bounding_box() const = 0;
 
   //! Get a vector of surfaces in the cell
-  virtual vector<int32_t> surfaces() const = 0;
+  virtual vector<int32_t> surfaces() const { return vector<int32_t>(); }
 
   //! Check if the cell region expression is simple
-  virtual bool is_simple() const = 0;
+  virtual bool is_simple() const { return true; }
 
   //----------------------------------------------------------------------------
   // Accessors

From 3779db43b82b0e938c0bc104b1474a98ce581bc9 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Thu, 6 Oct 2022 14:55:01 +0100
Subject: [PATCH 1070/2654] assume cython is present

---
 setup.py | 16 ++++------------
 1 file changed, 4 insertions(+), 12 deletions(-)

diff --git a/setup.py b/setup.py
index 477f29dec..eec331353 100755
--- a/setup.py
+++ b/setup.py
@@ -5,11 +5,7 @@ import sys
 import numpy as np
 
 from setuptools import setup, find_packages
-try:
-    from Cython.Build import cythonize
-    have_cython = True
-except ImportError:
-    have_cython = False
+from Cython.Build import cythonize
 
 
 # Determine shared library suffix
@@ -76,13 +72,9 @@ kwargs = {
         'test': ['pytest', 'pytest-cov', 'colorama'],
         'vtk': ['vtk'],
     },
+    # Cython is used to add resonance reconstruction and fast float_endf
+    'ext_modules': cythonize('openmc/data/*.pyx'),
+    'include_dirs': [np.get_include()]
 }
 
-# If Cython is present, add resonance reconstruction and fast float_endf
-if have_cython:
-    kwargs.update({
-        'ext_modules': cythonize('openmc/data/*.pyx'),
-        'include_dirs': [np.get_include()]
-    })
-
 setup(**kwargs)

From 0a04c20c744ca10dce3e2b9e254635a3d7245bf6 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Thu, 6 Oct 2022 15:57:48 +0100
Subject: [PATCH 1071/2654] removed py3.6

---
 .github/workflows/ci.yml            | 3 ---
 docs/source/devguide/styleguide.rst | 2 +-
 docs/source/usersguide/install.rst  | 2 +-
 setup.py                            | 4 ++--
 4 files changed, 4 insertions(+), 7 deletions(-)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index 050c8e287..b7c548a37 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -34,9 +34,6 @@ jobs:
         vectfit: [n]
 
         include:
-          - python-version: 3.6
-            omp: n
-            mpi: n
           - python-version: 3.7
             omp: n
             mpi: n
diff --git a/docs/source/devguide/styleguide.rst b/docs/source/devguide/styleguide.rst
index 44d80915e..2a744b819 100644
--- a/docs/source/devguide/styleguide.rst
+++ b/docs/source/devguide/styleguide.rst
@@ -142,7 +142,7 @@ Style for Python code should follow PEP8_.
 
 Docstrings for functions and methods should follow numpydoc_ style.
 
-Python code should work with Python 3.6+.
+Python code should work with Python 3.7+.
 
 Use of third-party Python packages should be limited to numpy_, scipy_,
 matplotlib_, pandas_, and h5py_. Use of other third-party packages must be
diff --git a/docs/source/usersguide/install.rst b/docs/source/usersguide/install.rst
index b57958814..74be9ba0b 100644
--- a/docs/source/usersguide/install.rst
+++ b/docs/source/usersguide/install.rst
@@ -511,7 +511,7 @@ to install the Python package in :ref:`"editable" mode <devguide_editable>`.
 Prerequisites
 -------------
 
-The Python API works with Python 3.6+. In addition to Python itself, the API
+The Python API works with Python 3.7+. In addition to Python itself, the API
 relies on a number of third-party packages. All prerequisites can be installed
 using Conda_ (recommended), pip_, or through the package manager in most Linux
 distributions.
diff --git a/setup.py b/setup.py
index 477f29dec..2a7e6a58d 100755
--- a/setup.py
+++ b/setup.py
@@ -57,14 +57,14 @@ kwargs = {
         'Topic :: Scientific/Engineering'
         'Programming Language :: C++',
         'Programming Language :: Python :: 3',
-        'Programming Language :: Python :: 3.6',
+        'Programming Language :: Python :: 3.7',
         'Programming Language :: Python :: 3.7',
         'Programming Language :: Python :: 3.8',
         'Programming Language :: Python :: 3.9',
     ],
 
     # Dependencies
-    'python_requires': '>=3.6',
+    'python_requires': '>=3.7',
     'install_requires': [
         'numpy>=1.9', 'h5py', 'scipy', 'ipython', 'matplotlib',
         'pandas', 'lxml', 'uncertainties'

From f60520e8c55e36c5dedb9d0ac52b1de035c02d0a Mon Sep 17 00:00:00 2001
From: myerspat <myerspat@umich.edu>
Date: Thu, 6 Oct 2022 12:28:18 -0400
Subject: [PATCH 1072/2654] Removed simple_ from dagmc

---
 src/dagmc.cpp | 1 -
 1 file changed, 1 deletion(-)

diff --git a/src/dagmc.cpp b/src/dagmc.cpp
index 0e04869fd..a1b937e52 100644
--- a/src/dagmc.cpp
+++ b/src/dagmc.cpp
@@ -557,7 +557,6 @@ DAGCell::DAGCell(std::shared_ptr<moab::DagMC> dag_ptr, int32_t dag_idx)
   : Cell {}, dagmc_ptr_(dag_ptr), dag_index_(dag_idx)
 {
   geom_type_ = GeometryType::DAG;
-  simple_ = true;
 };
 
 std::pair<double, int32_t> DAGCell::distance(

From 2a4c8bbb9b0253562131ddd207ebf1be523edc69 Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Fri, 7 Oct 2022 06:47:11 +0000
Subject: [PATCH 1073/2654] centre attribute to CylindricalMesh and
 SphericalMesh

---
 openmc/mesh.py | 2 ++
 1 file changed, 2 insertions(+)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 4059fee2d..59d64a146 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -1052,6 +1052,7 @@ class CylindricalMesh(StructuredMesh):
         self._r_grid = None
         self._phi_grid = [0.0, 2*pi]
         self._z_grid = None
+        self._centre = [0, 0, 0]
 
     @property
     def dimension(self):
@@ -1284,6 +1285,7 @@ class SphericalMesh(StructuredMesh):
         self._r_grid = None
         self._theta_grid = [0, pi]
         self._phi_grid = [0, 2*pi]
+        self._centre = [0, 0, 0]
 
     @property
     def dimension(self):

From c20b351a2fa26d8198f833b256d140178b4c4e9c Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Fri, 7 Oct 2022 06:49:13 +0000
Subject: [PATCH 1074/2654] write to xml

---
 openmc/mesh.py | 10 ++++++++++
 1 file changed, 10 insertions(+)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 59d64a146..cc828acdc 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -1161,6 +1161,9 @@ class CylindricalMesh(StructuredMesh):
         subelement = ET.SubElement(element, "z_grid")
         subelement.text = ' '.join(map(str, self.z_grid))
 
+        subelement = ET.SubElement(element, "centre")
+        subelement.text = ' '.join(map(str, self.centre))
+
         return element
 
     @classmethod
@@ -1184,6 +1187,8 @@ class CylindricalMesh(StructuredMesh):
         mesh.r_grid = [float(x) for x in get_text(elem, "r_grid").split()]
         mesh.phi_grid = [float(x) for x in get_text(elem, "phi_grid").split()]
         mesh.z_grid = [float(x) for x in get_text(elem, "z_grid").split()]
+        # TODO: add read centre
+
         return mesh
 
     @property
@@ -1394,6 +1399,9 @@ class SphericalMesh(StructuredMesh):
         subelement = ET.SubElement(element, "phi_grid")
         subelement.text = ' '.join(map(str, self.phi_grid))
 
+        subelement = ET.SubElement(element, "centre")
+        subelement.text = ' '.join(map(str, self.centre))
+
         return element
 
     @classmethod
@@ -1417,6 +1425,8 @@ class SphericalMesh(StructuredMesh):
         mesh.r_grid = [float(x) for x in get_text(elem, "r_grid").split()]
         mesh.theta_grid = [float(x) for x in get_text(elem, "theta_grid").split()]
         mesh.phi_grid = [float(x) for x in get_text(elem, "phi_grid").split()]
+
+        # TODO: add read centre
         return mesh
 
     @property

From 81ac9b0fd900df2d21cb194fbf242375844c9658 Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Fri, 7 Oct 2022 06:50:45 +0000
Subject: [PATCH 1075/2654] setters/getters

---
 openmc/mesh.py | 18 ++++++++++++++++++
 1 file changed, 18 insertions(+)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index cc828acdc..3efa1e114 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -1064,6 +1064,10 @@ class CylindricalMesh(StructuredMesh):
     def n_dimension(self):
         return 3
 
+    @property
+    def centre(self):
+        return self._centre
+
     @property
     def r_grid(self):
         return self._r_grid
@@ -1090,6 +1094,11 @@ class CylindricalMesh(StructuredMesh):
                 for p in range(1, np + 1)
                 for r in range(1, nr + 1))
 
+    @centre.setter
+    def centre(self, coords):
+        cv.check_type('mesh r_grid', coords, Iterable, Real)
+        self._centre = np.asarray(coords)
+
     @r_grid.setter
     def r_grid(self, grid):
         cv.check_type('mesh r_grid', grid, Iterable, Real)
@@ -1302,6 +1311,10 @@ class SphericalMesh(StructuredMesh):
     def n_dimension(self):
         return 3
 
+    @property
+    def centre(self):
+        return self._centre
+
     @property
     def r_grid(self):
         return self._r_grid
@@ -1328,6 +1341,11 @@ class SphericalMesh(StructuredMesh):
                 for t in range(1, nt + 1)
                 for r in range(1, nr + 1))
 
+    @centre.setter
+    def centre(self, coords):
+        cv.check_type('mesh r_grid', coords, Iterable, Real)
+        self._centre = np.asarray(coords)
+
     @r_grid.setter
     def r_grid(self, grid):
         cv.check_type('mesh r_grid', grid, Iterable, Real)

From f0f5e34b33e79fe5818ae227bd5da192a208bf40 Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Fri, 7 Oct 2022 06:55:56 +0000
Subject: [PATCH 1076/2654] read centre from xml

---
 src/mesh.cpp | 12 ++++++++++++
 1 file changed, 12 insertions(+)

diff --git a/src/mesh.cpp b/src/mesh.cpp
index d9ad0ce8a..8307e5fe8 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -955,6 +955,7 @@ CylindricalMesh::CylindricalMesh(pugi::xml_node node) : StructuredMesh {node}
   grid_[0] = get_node_array<double>(node, "r_grid");
   grid_[1] = get_node_array<double>(node, "phi_grid");
   grid_[2] = get_node_array<double>(node, "z_grid");
+  centre = get_node_array<double>(node, "centre");
 
   if (int err = set_grid()) {
     fatal_error(openmc_err_msg);
@@ -983,6 +984,11 @@ StructuredMesh::MeshIndex CylindricalMesh::get_indices(
       mapped_r[1] += 2 * M_PI;
   }
 
+  // TODO: pass centre as argument 
+  mapped_r[0] += centre[0]
+  mapped_r[1] += centre[1]
+  mapped_r[2] += centre[2]
+
   MeshIndex idx = StructuredMesh::get_indices(mapped_r, in_mesh);
 
   idx[1] = sanitize_phi(idx[1]);
@@ -1187,6 +1193,7 @@ SphericalMesh::SphericalMesh(pugi::xml_node node) : StructuredMesh {node}
   grid_[0] = get_node_array<double>(node, "r_grid");
   grid_[1] = get_node_array<double>(node, "theta_grid");
   grid_[2] = get_node_array<double>(node, "phi_grid");
+  centre = get_node_array<double>(node, "centre");
 
   if (int err = set_grid()) {
     fatal_error(openmc_err_msg);
@@ -1216,6 +1223,11 @@ StructuredMesh::MeshIndex SphericalMesh::get_indices(
       mapped_r[2] += 2 * M_PI;
   }
 
+  // TODO: pass centre as argument 
+  mapped_r[0] += centre[0]
+  mapped_r[1] += centre[1]
+  mapped_r[2] += centre[2]
+
   MeshIndex idx = StructuredMesh::get_indices(mapped_r, in_mesh);
 
   idx[1] = sanitize_theta(idx[1]);

From 5787616ae41593bac4d100da162da5a8f98a1cea Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Fri, 7 Oct 2022 07:18:00 +0000
Subject: [PATCH 1077/2654] added two tests to check centre was written/read
 to/from xml

---
 tests/unit_tests/test_cylindrical_mesh.py | 30 +++++++++++++++++++++++
 tests/unit_tests/test_spherical_mesh.py   | 30 +++++++++++++++++++++++
 2 files changed, 60 insertions(+)
 create mode 100644 tests/unit_tests/test_cylindrical_mesh.py
 create mode 100644 tests/unit_tests/test_spherical_mesh.py

diff --git a/tests/unit_tests/test_cylindrical_mesh.py b/tests/unit_tests/test_cylindrical_mesh.py
new file mode 100644
index 000000000..89322d704
--- /dev/null
+++ b/tests/unit_tests/test_cylindrical_mesh.py
@@ -0,0 +1,30 @@
+import openmc
+import numpy as np
+
+def test_centre_read_write_to_xml():
+    """Tests that the centre attribute can be written and read back to XML
+    """
+    # build
+    mesh = openmc.CylindricalMesh()
+    mesh.phi_grid = [1, 2, 3]
+    mesh.z_grid = [1, 2, 3]
+    mesh.r_grid = [1, 2, 3]
+
+    mesh.centre = [0.1, 0.2, 0.3]
+
+    tally = openmc.Tally()
+
+    mesh_filter = openmc.MeshFilter(mesh)
+    tally.filters.append(mesh_filter)
+
+    tally.scores.append("heating")
+
+    tallies = openmc.Tallies([tally])
+
+    tallies.export_to_xml()
+
+    # read back
+    new_tallies = openmc.Tallies.from_xml()
+    new_tally = new_tallies[0]
+    new_mesh = new_tally.filters[0].mesh
+    assert np.allclose(new_mesh.centre, mesh.centre)
\ No newline at end of file
diff --git a/tests/unit_tests/test_spherical_mesh.py b/tests/unit_tests/test_spherical_mesh.py
new file mode 100644
index 000000000..cdeb188ec
--- /dev/null
+++ b/tests/unit_tests/test_spherical_mesh.py
@@ -0,0 +1,30 @@
+import openmc
+import numpy as np
+
+def test_centre_read_write_to_xml():
+    """Tests that the centre attribute can be written and read back to XML
+    """
+    # build
+    mesh = openmc.SphericalMesh()
+    mesh.phi_grid = [1, 2, 3]
+    mesh.theta_grid = [1, 2, 3]
+    mesh.r_grid = [1, 2, 3]
+
+    mesh.centre = [0.1, 0.2, 0.3]
+
+    tally = openmc.Tally()
+
+    mesh_filter = openmc.MeshFilter(mesh)
+    tally.filters.append(mesh_filter)
+
+    tally.scores.append("heating")
+
+    tallies = openmc.Tallies([tally])
+
+    tallies.export_to_xml()
+
+    # read back
+    new_tallies = openmc.Tallies.from_xml()
+    new_tally = new_tallies[0]
+    new_mesh = new_tally.filters[0].mesh
+    assert np.allclose(new_mesh.centre, mesh.centre)
\ No newline at end of file

From 16add87c05a2a228daabb4f99a3c09c0defe2b46 Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Fri, 7 Oct 2022 07:18:52 +0000
Subject: [PATCH 1078/2654] now reads back from xml

---
 openmc/mesh.py | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 3efa1e114..abc46c70b 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -1196,7 +1196,7 @@ class CylindricalMesh(StructuredMesh):
         mesh.r_grid = [float(x) for x in get_text(elem, "r_grid").split()]
         mesh.phi_grid = [float(x) for x in get_text(elem, "phi_grid").split()]
         mesh.z_grid = [float(x) for x in get_text(elem, "z_grid").split()]
-        # TODO: add read centre
+        mesh.centre = [float(x) for x in get_text(elem, "centre").split()]
 
         return mesh
 
@@ -1443,8 +1443,8 @@ class SphericalMesh(StructuredMesh):
         mesh.r_grid = [float(x) for x in get_text(elem, "r_grid").split()]
         mesh.theta_grid = [float(x) for x in get_text(elem, "theta_grid").split()]
         mesh.phi_grid = [float(x) for x in get_text(elem, "phi_grid").split()]
+        mesh.centre = [float(x) for x in get_text(elem, "centre").split()]
 
-        # TODO: add read centre
         return mesh
 
     @property

From 21200d9b6eb6f07c0dbb1e2885c6c367dea54100 Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Fri, 7 Oct 2022 07:42:34 +0000
Subject: [PATCH 1079/2654] offsets the write_to_vtk coordinates

---
 openmc/mesh.py | 14 ++++++++++++--
 1 file changed, 12 insertions(+), 2 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index abc46c70b..8f47e4e7b 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -1052,7 +1052,7 @@ class CylindricalMesh(StructuredMesh):
         self._r_grid = None
         self._phi_grid = [0.0, 2*pi]
         self._z_grid = None
-        self._centre = [0, 0, 0]
+        self._centre = [0., 0., 0.]
 
     @property
     def dimension(self):
@@ -1251,6 +1251,11 @@ class CylindricalMesh(StructuredMesh):
         pts_cartesian[:, 0] = r * np.cos(phi)
         pts_cartesian[:, 1] = r * np.sin(phi)
 
+        # offset with centre
+        pts_cartesian[:, 0] = pts_cartesian[:, 0] + self.centre[0]
+        pts_cartesian[:, 1] = pts_cartesian[:, 1] + self.centre[1]
+        pts_cartesian[:, 2] = pts_cartesian[:, 2] + self.centre[2]
+
         return super().write_data_to_vtk(
             points=pts_cartesian,
             filename=filename,
@@ -1299,7 +1304,7 @@ class SphericalMesh(StructuredMesh):
         self._r_grid = None
         self._theta_grid = [0, pi]
         self._phi_grid = [0, 2*pi]
-        self._centre = [0, 0, 0]
+        self._centre = [0., 0., 0.]
 
     @property
     def dimension(self):
@@ -1500,6 +1505,11 @@ class SphericalMesh(StructuredMesh):
         pts_cartesian[:, 1] = r * np.sin(phi) * np.sin(theta)
         pts_cartesian[:, 2] = r * np.cos(phi)
 
+        # offset with centre
+        pts_cartesian[:, 0] = pts_cartesian[:, 0] + self.centre[0]
+        pts_cartesian[:, 1] = pts_cartesian[:, 1] + self.centre[1]
+        pts_cartesian[:, 2] = pts_cartesian[:, 2] + self.centre[2]
+
         return super().write_data_to_vtk(
             points=pts_cartesian,
             filename=filename,

From 896ae2792ec6e1dfdaa2f7054dda5cb890d7e43f Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Fri, 7 Oct 2022 08:40:04 +0000
Subject: [PATCH 1080/2654] centre to centre_

---
 src/mesh.cpp | 16 ++++++++--------
 1 file changed, 8 insertions(+), 8 deletions(-)

diff --git a/src/mesh.cpp b/src/mesh.cpp
index 8307e5fe8..5fa46cd85 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -955,7 +955,7 @@ CylindricalMesh::CylindricalMesh(pugi::xml_node node) : StructuredMesh {node}
   grid_[0] = get_node_array<double>(node, "r_grid");
   grid_[1] = get_node_array<double>(node, "phi_grid");
   grid_[2] = get_node_array<double>(node, "z_grid");
-  centre = get_node_array<double>(node, "centre");
+  centre_ = get_node_array<double>(node, "centre");
 
   if (int err = set_grid()) {
     fatal_error(openmc_err_msg);
@@ -985,9 +985,9 @@ StructuredMesh::MeshIndex CylindricalMesh::get_indices(
   }
 
   // TODO: pass centre as argument 
-  mapped_r[0] += centre[0]
-  mapped_r[1] += centre[1]
-  mapped_r[2] += centre[2]
+  mapped_r[0] += centre_[0]
+  mapped_r[1] += centre_[1]
+  mapped_r[2] += centre_[2]
 
   MeshIndex idx = StructuredMesh::get_indices(mapped_r, in_mesh);
 
@@ -1193,7 +1193,7 @@ SphericalMesh::SphericalMesh(pugi::xml_node node) : StructuredMesh {node}
   grid_[0] = get_node_array<double>(node, "r_grid");
   grid_[1] = get_node_array<double>(node, "theta_grid");
   grid_[2] = get_node_array<double>(node, "phi_grid");
-  centre = get_node_array<double>(node, "centre");
+  centre_ = get_node_array<double>(node, "centre");
 
   if (int err = set_grid()) {
     fatal_error(openmc_err_msg);
@@ -1224,9 +1224,9 @@ StructuredMesh::MeshIndex SphericalMesh::get_indices(
   }
 
   // TODO: pass centre as argument 
-  mapped_r[0] += centre[0]
-  mapped_r[1] += centre[1]
-  mapped_r[2] += centre[2]
+  mapped_r[0] += centre_[0]
+  mapped_r[1] += centre_[1]
+  mapped_r[2] += centre_[2]
 
   MeshIndex idx = StructuredMesh::get_indices(mapped_r, in_mesh);
 

From d194e000803acc3c6e35c9e95d27859ae43d6b99 Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Fri, 7 Oct 2022 09:00:27 +0000
Subject: [PATCH 1081/2654] test if grid_ is defined in this scope

---
 src/mesh.cpp | 3 +++
 1 file changed, 3 insertions(+)

diff --git a/src/mesh.cpp b/src/mesh.cpp
index 5fa46cd85..7a0a243f0 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -1223,6 +1223,9 @@ StructuredMesh::MeshIndex SphericalMesh::get_indices(
       mapped_r[2] += 2 * M_PI;
   }
 
+  // test
+  coucou = grid_[0]
+
   // TODO: pass centre as argument 
   mapped_r[0] += centre_[0]
   mapped_r[1] += centre_[1]

From a104c1f890055f5822d2b93db08bdcad255a17a0 Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Fri, 7 Oct 2022 09:07:51 +0000
Subject: [PATCH 1082/2654] [skip ci] removed test

---
 src/mesh.cpp | 3 ---
 1 file changed, 3 deletions(-)

diff --git a/src/mesh.cpp b/src/mesh.cpp
index 7a0a243f0..5fa46cd85 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -1223,9 +1223,6 @@ StructuredMesh::MeshIndex SphericalMesh::get_indices(
       mapped_r[2] += 2 * M_PI;
   }
 
-  // test
-  coucou = grid_[0]
-
   // TODO: pass centre as argument 
   mapped_r[0] += centre_[0]
   mapped_r[1] += centre_[1]

From bdd13ba3f4c29512f0fc24d4cf856f010a982e1c Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Fri, 7 Oct 2022 09:15:27 +0000
Subject: [PATCH 1083/2654] attempt #2

---
 src/mesh.cpp | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/src/mesh.cpp b/src/mesh.cpp
index 5fa46cd85..9fde3dbe1 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -955,7 +955,7 @@ CylindricalMesh::CylindricalMesh(pugi::xml_node node) : StructuredMesh {node}
   grid_[0] = get_node_array<double>(node, "r_grid");
   grid_[1] = get_node_array<double>(node, "phi_grid");
   grid_[2] = get_node_array<double>(node, "z_grid");
-  centre_ = get_node_array<double>(node, "centre");
+  double centre_ = get_node_array<double>(node, "centre");
 
   if (int err = set_grid()) {
     fatal_error(openmc_err_msg);
@@ -1193,7 +1193,7 @@ SphericalMesh::SphericalMesh(pugi::xml_node node) : StructuredMesh {node}
   grid_[0] = get_node_array<double>(node, "r_grid");
   grid_[1] = get_node_array<double>(node, "theta_grid");
   grid_[2] = get_node_array<double>(node, "phi_grid");
-  centre_ = get_node_array<double>(node, "centre");
+  double centre_ = get_node_array<double>(node, "centre");
 
   if (int err = set_grid()) {
     fatal_error(openmc_err_msg);

From e394637f2f873ca3cec6417a02031f340650e368 Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Fri, 7 Oct 2022 09:32:08 +0000
Subject: [PATCH 1084/2654] declare variable with auto

---
 src/mesh.cpp | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/src/mesh.cpp b/src/mesh.cpp
index 9fde3dbe1..ad67b2ba4 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -955,7 +955,7 @@ CylindricalMesh::CylindricalMesh(pugi::xml_node node) : StructuredMesh {node}
   grid_[0] = get_node_array<double>(node, "r_grid");
   grid_[1] = get_node_array<double>(node, "phi_grid");
   grid_[2] = get_node_array<double>(node, "z_grid");
-  double centre_ = get_node_array<double>(node, "centre");
+  auto centre_ = get_node_array<double>(node, "centre");
 
   if (int err = set_grid()) {
     fatal_error(openmc_err_msg);
@@ -1193,7 +1193,7 @@ SphericalMesh::SphericalMesh(pugi::xml_node node) : StructuredMesh {node}
   grid_[0] = get_node_array<double>(node, "r_grid");
   grid_[1] = get_node_array<double>(node, "theta_grid");
   grid_[2] = get_node_array<double>(node, "phi_grid");
-  double centre_ = get_node_array<double>(node, "centre");
+  auto centre_ = get_node_array<double>(node, "centre");
 
   if (int err = set_grid()) {
     fatal_error(openmc_err_msg);

From 61b4f30dd4f1ce0bd44e339b59a7cfe31fef057f Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Fri, 7 Oct 2022 10:59:35 +0000
Subject: [PATCH 1085/2654] declaring centre_ in C file

---
 include/openmc/mesh.h | 3 +++
 1 file changed, 3 insertions(+)

diff --git a/include/openmc/mesh.h b/include/openmc/mesh.h
index eece0f1ff..e6f5ce98b 100644
--- a/include/openmc/mesh.h
+++ b/include/openmc/mesh.h
@@ -359,6 +359,8 @@ public:
   void to_hdf5(hid_t group) const override;
 
   array<vector<double>, 3> grid_;
+  array<double, 3> centre_;
+
 
   int set_grid();
 
@@ -413,6 +415,7 @@ public:
   void to_hdf5(hid_t group) const override;
 
   array<vector<double>, 3> grid_;
+  array<double, 3> centre_;
 
   int set_grid();
 

From fc5aa68d732fb15e99e103d1543451dbb57f99ab Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Fri, 7 Oct 2022 10:59:52 +0000
Subject: [PATCH 1086/2654] removed auto + ;

---
 src/mesh.cpp | 16 ++++++++--------
 1 file changed, 8 insertions(+), 8 deletions(-)

diff --git a/src/mesh.cpp b/src/mesh.cpp
index ad67b2ba4..c049549eb 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -955,7 +955,7 @@ CylindricalMesh::CylindricalMesh(pugi::xml_node node) : StructuredMesh {node}
   grid_[0] = get_node_array<double>(node, "r_grid");
   grid_[1] = get_node_array<double>(node, "phi_grid");
   grid_[2] = get_node_array<double>(node, "z_grid");
-  auto centre_ = get_node_array<double>(node, "centre");
+  centre_ = get_node_array<double>(node, "centre");
 
   if (int err = set_grid()) {
     fatal_error(openmc_err_msg);
@@ -985,9 +985,9 @@ StructuredMesh::MeshIndex CylindricalMesh::get_indices(
   }
 
   // TODO: pass centre as argument 
-  mapped_r[0] += centre_[0]
-  mapped_r[1] += centre_[1]
-  mapped_r[2] += centre_[2]
+  mapped_r[0] += centre_[0];
+  mapped_r[1] += centre_[1];
+  mapped_r[2] += centre_[2];
 
   MeshIndex idx = StructuredMesh::get_indices(mapped_r, in_mesh);
 
@@ -1193,7 +1193,7 @@ SphericalMesh::SphericalMesh(pugi::xml_node node) : StructuredMesh {node}
   grid_[0] = get_node_array<double>(node, "r_grid");
   grid_[1] = get_node_array<double>(node, "theta_grid");
   grid_[2] = get_node_array<double>(node, "phi_grid");
-  auto centre_ = get_node_array<double>(node, "centre");
+  centre_ = get_node_array<double>(node, "centre");
 
   if (int err = set_grid()) {
     fatal_error(openmc_err_msg);
@@ -1224,9 +1224,9 @@ StructuredMesh::MeshIndex SphericalMesh::get_indices(
   }
 
   // TODO: pass centre as argument 
-  mapped_r[0] += centre_[0]
-  mapped_r[1] += centre_[1]
-  mapped_r[2] += centre_[2]
+  mapped_r[0] += centre_[0];
+  mapped_r[1] += centre_[1];
+  mapped_r[2] += centre_[2];
 
   MeshIndex idx = StructuredMesh::get_indices(mapped_r, in_mesh);
 

From e1dbe49bbbcae3c227190f48e2d6d89945b64187 Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Fri, 7 Oct 2022 11:06:24 +0000
Subject: [PATCH 1087/2654] correct type for centre_

---
 include/openmc/mesh.h | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/include/openmc/mesh.h b/include/openmc/mesh.h
index e6f5ce98b..ea6b01aa6 100644
--- a/include/openmc/mesh.h
+++ b/include/openmc/mesh.h
@@ -359,7 +359,7 @@ public:
   void to_hdf5(hid_t group) const override;
 
   array<vector<double>, 3> grid_;
-  array<double, 3> centre_;
+  vector<double> centre_;
 
 
   int set_grid();
@@ -415,7 +415,7 @@ public:
   void to_hdf5(hid_t group) const override;
 
   array<vector<double>, 3> grid_;
-  array<double, 3> centre_;
+  vector<double> centre_;
 
   int set_grid();
 

From 1ed096f6608b0caad5f2f17f4cfc34c278d78b95 Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Fri, 7 Oct 2022 12:53:34 +0000
Subject: [PATCH 1088/2654] added centre tag to standard

---
 tests/regression_tests/filter_mesh/inputs_true.dat | 2 ++
 1 file changed, 2 insertions(+)

diff --git a/tests/regression_tests/filter_mesh/inputs_true.dat b/tests/regression_tests/filter_mesh/inputs_true.dat
index d0c481d60..c42f3cd43 100644
--- a/tests/regression_tests/filter_mesh/inputs_true.dat
+++ b/tests/regression_tests/filter_mesh/inputs_true.dat
@@ -57,11 +57,13 @@
     <r_grid>0.0 0.4411764705882353 0.8823529411764706 1.3235294117647058 1.7647058823529411 2.2058823529411766 2.6470588235294117 3.0882352941176467 3.5294117647058822 3.9705882352941178 4.411764705882353 4.852941176470588 5.294117647058823 5.735294117647059 6.1764705882352935 6.617647058823529 7.0588235294117645 7.5</r_grid>
     <phi_grid>0.0 0.3490658503988659 0.6981317007977318 1.0471975511965976 1.3962634015954636 1.7453292519943295 2.0943951023931953 2.443460952792061 2.792526803190927 3.141592653589793 3.490658503988659 3.839724354387525 4.1887902047863905 4.537856055185257 4.886921905584122 5.235987755982989 5.585053606381854 5.93411945678072 6.283185307179586</phi_grid>
     <z_grid>-7.5 -6.5625 -5.625 -4.6875 -3.75 -2.8125 -1.875 -0.9375 0.0 0.9375 1.875 2.8125 3.75 4.6875 5.625 6.5625 7.5</z_grid>
+    <centre>0.0 0.0 0.0</centre>
   </mesh>
   <mesh id="6" type="spherical">
     <r_grid>0.0 0.4411764705882353 0.8823529411764706 1.3235294117647058 1.7647058823529411 2.2058823529411766 2.6470588235294117 3.0882352941176467 3.5294117647058822 3.9705882352941178 4.411764705882353 4.852941176470588 5.294117647058823 5.735294117647059 6.1764705882352935 6.617647058823529 7.0588235294117645 7.5</r_grid>
     <theta_grid>0.0 0.39269908169872414 0.7853981633974483 1.1780972450961724 1.5707963267948966 1.9634954084936207 2.356194490192345 2.748893571891069 3.141592653589793</theta_grid>
     <phi_grid>0.0 0.3490658503988659 0.6981317007977318 1.0471975511965976 1.3962634015954636 1.7453292519943295 2.0943951023931953 2.443460952792061 2.792526803190927 3.141592653589793 3.490658503988659 3.839724354387525 4.1887902047863905 4.537856055185257 4.886921905584122 5.235987755982989 5.585053606381854 5.93411945678072 6.283185307179586</phi_grid>
+    <centre>0.0 0.0 0.0</centre>
   </mesh>
   <filter id="1" type="mesh">
     <bins>1</bins>

From 0706a0eca305c8fc4a0a5cbfb0c5b6e46099753e Mon Sep 17 00:00:00 2001
From: erkn <erik@vonbrun.org>
Date: Tue, 11 Oct 2022 00:46:32 +0200
Subject: [PATCH 1089/2654] fix malformed format string

---
 src/state_point.cpp | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/src/state_point.cpp b/src/state_point.cpp
index 7c1a45447..e197ee162 100644
--- a/src/state_point.cpp
+++ b/src/state_point.cpp
@@ -625,9 +625,9 @@ void write_mcpl_source_point(const char *filename, bool surf_source_bank)
     //write_attribute(file_id, "filetype", "source");
     //write header stuff (oopy in xml-files as binary blobs for instance))
     if (VERSION_DEV){
-      line=fmt::format("OpenMC {VERSION_MAJOR}.{VERSION_MINOR}.{VERSION_RELEASE}-development");
+      line=fmt::format("OpenMC {0}.{1}.{2}-development",VERSION_MAJOR,VERSION_MINOR,VERSION_RELEASE);
     } else {
-      line=fmt::format("OpenMC {VERSION_MAJOR}.{VERSION_MINOR}.{VERSION_RELEASE}");
+      line=fmt::format("OpenMC {0}.{1}.{2}",VERSION_MAJOR,VERSION_MINOR,VERSION_RELEASE);
     }
     mcpl_hdr_set_srcname(file_id,line.c_str());
   }

From aeadaf0b2f1a59fcd2c3f8cb3ad8fa7dab36e342 Mon Sep 17 00:00:00 2001
From: erkn <erik@vonbrun.org>
Date: Tue, 11 Oct 2022 00:48:44 +0200
Subject: [PATCH 1090/2654] fix typo causing unit length errors

---
 src/state_point.cpp | 4 +++-
 1 file changed, 3 insertions(+), 1 deletion(-)

diff --git a/src/state_point.cpp b/src/state_point.cpp
index e197ee162..a8a4be034 100644
--- a/src/state_point.cpp
+++ b/src/state_point.cpp
@@ -802,9 +802,11 @@ void write_mcpl_source_bank(mcpl_outfile_t file_id, bool surf_source_bank)
         p.position[1]=_site->r.y;
         p.position[2]=_site->r.z;
 
+        //mcpl requires that the direction vector is unit length
+        //which is also the case in openmc
         p.direction[0]=_site->u.x;
         p.direction[1]=_site->u.y;
-        p.direction[2]=_site->u.x;
+        p.direction[2]=_site->u.z;
 
         //mcpl stores kinetic energy in MeV
         p.ekin=_site->E*1e-6;

From 72251eb30a996e6aaa9672292a1483c69d53a652 Mon Sep 17 00:00:00 2001
From: erkn <erik@vonbrun.org>
Date: Tue, 11 Oct 2022 02:00:33 +0200
Subject: [PATCH 1091/2654] enable mcpl surf_source_write in the python layer

---
 openmc/settings.py | 9 ++++++++-
 1 file changed, 8 insertions(+), 1 deletion(-)

diff --git a/openmc/settings.py b/openmc/settings.py
index 2d8121659..45ff0edc6 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -165,6 +165,7 @@ class Settings:
                    banked (int)
         :max_particles: Maximum number of particles to be banked on
                    surfaces per process (int)
+        :mcpl: Output in the form of an MCPL-file (bool)
     survival_biasing : bool
         Indicate whether survival biasing is to be used
     tabular_legendre : dict
@@ -643,7 +644,7 @@ class Settings:
         cv.check_type('surface source writing options', surf_source_write, Mapping)
         for key, value in surf_source_write.items():
             cv.check_value('surface source writing key', key,
-                           ('surface_ids', 'max_particles'))
+                           ('surface_ids', 'max_particles', 'mcpl'))
             if key == 'surface_ids':
                 cv.check_type('surface ids for source banking', value,
                               Iterable, Integral)
@@ -655,6 +656,9 @@ class Settings:
                               value, Integral)
                 cv.check_greater_than('maximum particle banks on surfaces per process',
                                       value, 0)
+            elif key == 'mcpl':
+                cv.check_type('write to an MCPL-format file', value, bool)
+
         self._surf_source_write = surf_source_write
 
     @confidence_intervals.setter
@@ -1023,6 +1027,9 @@ class Settings:
             if 'max_particles' in self._surf_source_write:
                 subelement = ET.SubElement(element, "max_particles")
                 subelement.text = str(self._surf_source_write['max_particles'])
+            if 'mcpl' in self._surf_source_write:
+                subelement = ET.SubElement(element, "mcpl")
+                subelement.text = str(self._surf_source_write['mcpl']).lower()
 
     def _create_confidence_intervals(self, root):
         if self._confidence_intervals is not None:

From 3e2ddceaac8484503c57fef4248af50399067b96 Mon Sep 17 00:00:00 2001
From: josh <josh@radiantnuclear.com>
Date: Tue, 11 Oct 2022 03:03:50 +0000
Subject: [PATCH 1092/2654] Add tolerance for interp temps outside of bounds

---
 docs/source/io_formats/settings.rst | 11 +++++++--
 openmc/settings.py                  | 16 +++++++------
 src/cell.cpp                        |  4 ++--
 src/nuclide.cpp                     | 35 +++++++++++++++++++++++++++++
 src/thermal.cpp                     | 35 +++++++++++++++++++++--------
 5 files changed, 81 insertions(+), 20 deletions(-)

diff --git a/docs/source/io_formats/settings.rst b/docs/source/io_formats/settings.rst
index 1a8f63716..7a794bf00 100644
--- a/docs/source/io_formats/settings.rst
+++ b/docs/source/io_formats/settings.rst
@@ -832,7 +832,9 @@ cell, the nearest temperature at which cross sections are given is to be
 applied, within a given tolerance (see :ref:`temperature_tolerance`). A value of
 "interpolation" indicates that cross sections are to be linear-linear
 interpolated between temperatures at which nuclear data are present (see
-:ref:`temperature_treatment`).
+:ref:`temperature_treatment`). With the "interpolation" method, temperatures
+outside of the bounds of the nuclear data may be accepted, provided they still
+fall within the tolerance (see :ref:`temperature_tolerance`).
 
   *Default*: "nearest"
 
@@ -871,7 +873,12 @@ The ``<temperature_tolerance>`` element specifies a tolerance in Kelvin that is
 to be applied when the "nearest" temperature method is used. For example, if a
 cell temperature is 340 K and the tolerance is 15 K, then the closest
 temperature in the range of 325 K to 355 K will be used to evaluate cross
-sections.
+sections. If the ``<temperature_method>`` is "interpolation", the tolerance
+specified applies to cell temperatures outside of the data bounds. For example,
+If a cell is specified at 695K, a tolerance of 15K and data only available at
+700K and 1000K, the cell's cross sections will be evaluated at 700K, since
+desired temperature of 695K is within the tolerance of the actual data despite
+not being bounded on both sides.
 
   *Default*: 10 K
 
diff --git a/openmc/settings.py b/openmc/settings.py
index ad5a9b28a..9d9b421ca 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -186,13 +186,15 @@ class Settings:
         'default', 'method', 'range', 'tolerance', and 'multipole'. The value
         for 'default' should be a float representing the default temperature in
         Kelvin. The value for 'method' should be 'nearest' or 'interpolation'.
-        If the method is 'nearest', 'tolerance' indicates a range of temperature
-        within which cross sections may be used. The value for 'range' should be
-        a pair a minimum and maximum temperatures which are used to indicate
-        that cross sections be loaded at all temperatures within the
-        range. 'multipole' is a boolean indicating whether or not the windowed
-        multipole method should be used to evaluate resolved resonance cross
-        sections.
+        If the method is 'nearest', 'tolerance' indicates a range of
+        temperature within which cross sections may be used. If the method is
+        'interpolation', 'tolerance' indicates the range of temperatures outside
+        of the available cross section temperatures where cross sections will
+        evaluate to the nearer bound. The value for 'range' should be a pair a
+        minimum and maximum temperatures which are used to indicate that cross
+        sections be loaded at all temperatures within the range. 'multipole' is
+        a boolean indicating whether or not the windowed multipole method should
+        be used to evaluate resolved resonance cross sections.
     trace : tuple or list
         Show detailed information about a single particle, indicated by three
         integers: the batch number, generation number, and particle number
diff --git a/src/cell.cpp b/src/cell.cpp
index 4ff35498c..d69f79a3e 100644
--- a/src/cell.cpp
+++ b/src/cell.cpp
@@ -334,10 +334,10 @@ double Cell::temperature(int32_t instance) const
 void Cell::set_temperature(double T, int32_t instance, bool set_contained)
 {
   if (settings::temperature_method == TemperatureMethod::INTERPOLATION) {
-    if (T < data::temperature_min) {
+    if (T < data::temperature_min - settings::temperature_tolerance) {
       throw std::runtime_error {"Temperature is below minimum temperature at "
                                 "which data is available."};
-    } else if (T > data::temperature_max) {
+    } else if (T > data::temperature_max + settings::temperature_tolerance) {
       throw std::runtime_error {"Temperature is above maximum temperature at "
                                 "which data is available."};
     }
diff --git a/src/nuclide.cpp b/src/nuclide.cpp
index 564e27d44..4c1706509 100644
--- a/src/nuclide.cpp
+++ b/src/nuclide.cpp
@@ -169,6 +169,22 @@ Nuclide::Nuclide(hid_t group, const vector<double>& temperature)
       }
 
       if (!found_pair) {
+        // If no pairs found, check if the desired temperature falls just
+        // outside of data
+        if (T_desired - temps_available.front() <=
+            -settings::temperature_tolerance) {
+          if (!contains(temps_to_read, temps_available.front())) {
+            temps_to_read.push_back(std::round(temps_available.front()));
+          }
+          break;
+        }
+        if (T_desired - temps_available.back() <=
+            settings::temperature_tolerance) {
+          if (!contains(temps_to_read, temps_available.back())) {
+            temps_to_read.push_back(std::round(temps_available.back()));
+          }
+          break;
+        }
         fatal_error(
           "Nuclear data library does not contain cross sections for " + name_ +
           " at temperatures that bound " + std::to_string(T_desired) + " K.");
@@ -646,6 +662,16 @@ void Nuclide::calculate_xs(
     } break;
 
     case TemperatureMethod::INTERPOLATION:
+      // If current kT outside of the bounds of available, snap to the bound
+      if (kT < kTs_.front()) {
+        i_temp = 0;
+        break;
+      }
+      if (kT > kTs_.back()) {
+        i_temp = kTs_.size() - 1;
+        break;
+      }
+
       // Find temperatures that bound the actual temperature
       for (i_temp = 0; i_temp < kTs_.size() - 1; ++i_temp) {
         if (kTs_[i_temp] <= kT && kT < kTs_[i_temp + 1])
@@ -969,6 +995,15 @@ std::pair<gsl::index, double> Nuclide::find_temperature(double T) const
   } break;
 
   case TemperatureMethod::INTERPOLATION:
+    // If current kT outside of the bounds of available, snap to the bound
+    if (kT < kTs_.front()) {
+      i_temp = 0;
+      break;
+    }
+    if (kT > kTs_.back()) {
+      i_temp = kTs_.size() - 1;
+      break;
+    }
     // Find temperatures that bound the actual temperature
     while (kTs_[i_temp + 1] < kT && i_temp + 1 < n - 1)
       ++i_temp;
diff --git a/src/thermal.cpp b/src/thermal.cpp
index 1a9592d0a..66e1fb009 100644
--- a/src/thermal.cpp
+++ b/src/thermal.cpp
@@ -117,6 +117,16 @@ ThermalScattering::ThermalScattering(
         }
       }
       if (!found) {
+        // If no pairs found, check if the desired temperature falls within
+        // bounds' tolerance
+        if (T - temps_available[0] <= -settings::temperature_tolerance) {
+          temps_to_read.push_back(std::round(temps_available[0]));
+          break;
+        }
+        if (T - temps_available[n - 1] <= settings::temperature_tolerance) {
+          temps_to_read.push_back(std::round(temps_available[n - 1]));
+          break;
+        }
         fatal_error(
           fmt::format("Nuclear data library does not contain cross "
                       "sections for {} at temperatures that bound {} K.",
@@ -159,20 +169,27 @@ void ThermalScattering::calculate_xs(double E, double sqrtkT, int* i_temp,
 
   auto n = kTs_.size();
   if (n > 1) {
-    // Find temperatures that bound the actual temperature
-    while (kTs_[i + 1] < kT && i + 1 < n - 1)
-      ++i;
-
     if (settings::temperature_method == TemperatureMethod::NEAREST) {
+      while (kTs_[i + 1] < kT && i + 1 < n - 1)
+        ++i;
       // Pick closer of two bounding temperatures
       if (kT - kTs_[i] > kTs_[i + 1] - kT)
         ++i;
-
     } else {
-      // Randomly sample between temperature i and i+1
-      double f = (kT - kTs_[i]) / (kTs_[i + 1] - kTs_[i]);
-      if (f > prn(seed))
-        ++i;
+      // If current kT outside of the bounds of available, snap to the bound
+      if (kT < kTs_.front()) {
+        i = 0;
+      } else if (kT > kTs_.back()) {
+        i = kTs_.size() - 1;
+      } else {
+        // Find temperatures that bound the actual temperature
+        while (kTs_[i + 1] < kT && i + 1 < n - 1)
+          ++i;
+        // Randomly sample between temperature i and i+1
+        double f = (kT - kTs_[i]) / (kTs_[i + 1] - kTs_[i]);
+        if (f > prn(seed))
+          ++i;
+      }
     }
   }
 

From bf0c5d7f9a8d118e4770d4ed4ca184c93aa30896 Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erkn@fysik.dtu.dk>
Date: Wed, 22 Jun 2022 22:50:07 +0200
Subject: [PATCH 1093/2654] add placeholder skeleton for MCPL-input

---
 include/openmc/source.h | 19 +++++++++++++++++++
 src/source.cpp          | 21 +++++++++++++++++++++
 2 files changed, 40 insertions(+)

diff --git a/include/openmc/source.h b/include/openmc/source.h
index 04b9ff856..0f1965cb8 100644
--- a/include/openmc/source.h
+++ b/include/openmc/source.h
@@ -110,6 +110,25 @@ private:
   vector<SourceSite> sites_; //!< Source sites from a file
 };
 
+//==============================================================================
+// MCPL-file input source
+//==============================================================================
+class MCPLFileSource : public Source {
+public:
+  // Constructors, destructors
+  MCPLFileSource(std::string path);
+  ~MCPLFileSource();
+
+  // Defer implementation to custom source library
+  SourceSite sample(uint64_t* seed) const override
+
+private:
+  vector <SourceSite> sites_; //!<source sites from an MCPL-file
+};
+
+
+
+
 //==============================================================================
 //! Wrapper for custom sources that manages opening/closing shared library
 //==============================================================================
diff --git a/src/source.cpp b/src/source.cpp
index fc50115cd..1e84f8334 100644
--- a/src/source.cpp
+++ b/src/source.cpp
@@ -378,6 +378,27 @@ CustomSourceWrapper::~CustomSourceWrapper()
 #endif
 }
 
+//===========================================================================
+// Read an MCPL-file
+//===========================================================================
+MCPLFileSource::MCPLFileSource(std::string path)
+{
+  // Check if source file exists
+  if (!file_exists(path)) {
+    fatal_error(fmt::format("Source file '{}' does not exist.", path));
+  }
+   
+  // Read the source from a binary file instead of sampling from some
+  // assumed source distribution
+  write_message(6, "Reading source file from {}...", path);
+
+  // Open the mcpl file
+  id_t file_id = mcpl_open(path.c_str)
+  
+
+}
+
+
 //==============================================================================
 // Non-member functions
 //==============================================================================

From cfbd397d45b81d25a7f363b60b6032bf89ff3d31 Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erkn@fysik.dtu.dk>
Date: Thu, 23 Jun 2022 11:34:53 +0200
Subject: [PATCH 1094/2654] include mcpl header

---
 src/source.cpp | 4 ++++
 1 file changed, 4 insertions(+)

diff --git a/src/source.cpp b/src/source.cpp
index 1e84f8334..7c1184602 100644
--- a/src/source.cpp
+++ b/src/source.cpp
@@ -33,6 +33,10 @@
 #include "openmc/state_point.h"
 #include "openmc/xml_interface.h"
 
+#ifdef HAS_MCPL
+#include <mcpl.h>
+#endif
+
 namespace openmc {
 
 //==============================================================================

From 249a554980801a3c2cc3be336369c95c0e447436 Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erkn@fysik.dtu.dk>
Date: Thu, 23 Jun 2022 11:35:46 +0200
Subject: [PATCH 1095/2654] declarations of MCPL-internals

---
 include/openmc/source.h | 13 +++++++++++--
 1 file changed, 11 insertions(+), 2 deletions(-)

diff --git a/include/openmc/source.h b/include/openmc/source.h
index 0f1965cb8..24a3d10ae 100644
--- a/include/openmc/source.h
+++ b/include/openmc/source.h
@@ -119,11 +119,20 @@ public:
   MCPLFileSource(std::string path);
   ~MCPLFileSource();
 
-  // Defer implementation to custom source library
-  SourceSite sample(uint64_t* seed) const override
+  // Properties
+  ParticleType particle_type() const { return particle_; }
+
+  //! Sample from the external source distribution
+  //! \param[inout] seed Pseudorandom seed pointer
+  //! \return Site read from MCPL-file
+  SourceSite sample(uint64_t* seed) const override;
 
 private:
+  ParticleType particle_ {ParticleType::neutron}; //!< Type of particle emitted
   vector <SourceSite> sites_; //!<source sites from an MCPL-file
+  mcpl_file_t mcpl_file;
+
+  uint64_t read_particles;
 };
 
 

From d21ecfa6a7726e776abfb04712f4af095a799a91 Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erkn@fysik.dtu.dk>
Date: Thu, 23 Jun 2022 11:37:05 +0200
Subject: [PATCH 1096/2654] internals of sample and constructor

---
 src/source.cpp | 51 ++++++++++++++++++++++++++++++++++++++++++++++----
 1 file changed, 47 insertions(+), 4 deletions(-)

diff --git a/src/source.cpp b/src/source.cpp
index 7c1184602..3dfd00707 100644
--- a/src/source.cpp
+++ b/src/source.cpp
@@ -383,7 +383,7 @@ CustomSourceWrapper::~CustomSourceWrapper()
 }
 
 //===========================================================================
-// Read an MCPL-file
+// Read particles from an MCPL-file
 //===========================================================================
 MCPLFileSource::MCPLFileSource(std::string path)
 {
@@ -394,12 +394,55 @@ MCPLFileSource::MCPLFileSource(std::string path)
    
   // Read the source from a binary file instead of sampling from some
   // assumed source distribution
-  write_message(6, "Reading source file from {}...", path);
+  write_message(6, "Reading mcpl source file from {}",path);
 
   // Open the mcpl file
-  id_t file_id = mcpl_open(path.c_str)
-  
+  mcpl_file = mcpl_open(path.c_str);
 
+  //do checks on the mcpl_file to see if particles are many enough.
+  // should model this on the example source shown in the docs.
+  uint64_t nparticles=mcpl_hdr_nparticles(mcpl_file);
+
+}
+
+MCPLFileSource::~MCPLFilsSource(){
+  mcpl_close_file(mcpl_file);
+}
+
+SourceSite MCPLFileSource::sample(uint64_t *seed){
+  SourceSite omc_particle;
+  mcpl_particle *mcpl_particle;
+  //extract particle from mcpl-file
+  mcpl_particle=mcpl_reazd(mcplfile);
+  // check if it is  a neutron or a photon. otherwise skip
+  while ( mcpl_particle->pdgcode!=2112 && mcpl_particle->pdgcode!=22 )
+  {
+    mcpl_particle(mcpl_read(mcplfile);
+    //check for file exhaustion
+  }
+
+  if(mcpl_particle->pdgcode=2112) {
+    omc_particle_=ParticleType::neutron;
+  } else {
+    omc_particle_=Particletype::photon;
+  }
+
+  //particle is good, convert to openmc-formalism
+  omc_particle.r.x=mcpl_particle.x;
+  omc_particle.r.y=mcpl_particle.y;
+  omc_particle.r.z=mcpl_particle.z;
+
+  omc_particle.u.x=mcpl_particle->direction[0];
+  omc_particle.u.y=mcpl_particle->direction[1];
+  omc_particle.u.z=mcpl_particle->direction[2];
+
+  //mcpl stores particles in MeV
+  omc_particle.E=mcpl_particle->ekin*1e6;
+
+  omc_particle.t=mcpl_particle->time*1e-3;
+  omc_particle.wgt=mcpl_particle->weight;
+  omc_particle.delayed_group=0;
+  return omc_particle;
 }
 
 

From 999acbba9a9f69648e9b91198fe4ff0792838b1d Mon Sep 17 00:00:00 2001
From: erkn <erik@vonbrun.org>
Date: Mon, 27 Jun 2022 23:25:35 +0200
Subject: [PATCH 1097/2654] (wip): skeleton for input only test

---
 .../regression_tests/source_mcpl_file/test.py | 52 +++++++++++++++++++
 1 file changed, 52 insertions(+)
 create mode 100644 tests/regression_tests/source_mcpl_file/test.py

diff --git a/tests/regression_tests/source_mcpl_file/test.py b/tests/regression_tests/source_mcpl_file/test.py
new file mode 100644
index 000000000..5a6a87d87
--- /dev/null
+++ b/tests/regression_tests/source_mcpl_file/test.py
@@ -0,0 +1,52 @@
+import pathlib as pl
+import os
+import shutil
+import subprocess
+import textwrap
+
+import openmc
+import pytest
+
+from tests.testing_harness import TestHarness
+
+def model():
+  subprocess.run(['gcc','-o gen_dummt_mcpl.out','-lm','-lmcpl','gen_dummy_mcpl.c'] )
+  subprocess.run(['./gen_dummy_mcpl.out'])
+    
+class SourceMCPLFileTestHarness(TestHarness):
+  def execute_test(self):
+    """Run OpenMC with the appropriate arguments and check the outputs."""
+    try:
+      self._create_input()
+      self._run_openmc()
+      self._test_output_created()
+      results = self._get_results()
+      self._write_results(results)
+      self._compare_results()
+    finally:
+      self._cleanup()
+
+  def update_results(self):
+    """Update the results_true using the current version of OpenMC."""
+    try:
+      self._create_input()
+      self._run_openmc()
+      self._test_output_created()
+      results = self._get_results()
+      self._write_results(results)
+      self._overwrite_results()
+    finally:
+      self._cleanup()
+
+  def _test_output_created(self):
+    """Check that the output files were created"""
+    stat        epoint = glob.glob(os.path.join(os.getcwd(), self._sp_name))
+    assert len(statepoint) == 1, 'Either multiple or no statepoint files ' \
+      'exist.'
+    assert statepoint[0].endswith('h5'), \
+      'statepoint file does not end with h5.'
+
+def test_mcpl_source_file():
+  harness = SourceMCPLFileTestHarness('statepoint.10.h5')
+  harness.main()
+  

From 3e805cce158630e70df95abb5d20368983339031 Mon Sep 17 00:00:00 2001
From: erkn <erik@vonbrun.org>
Date: Mon, 27 Jun 2022 23:26:01 +0200
Subject: [PATCH 1098/2654] c-prog to generate a dummy mcpl

---
 .../source_mcpl_file/gen_dummy_mcpl.c         | 97 +++++++++++++++++++
 1 file changed, 97 insertions(+)
 create mode 100644 tests/regression_tests/source_mcpl_file/gen_dummy_mcpl.c

diff --git a/tests/regression_tests/source_mcpl_file/gen_dummy_mcpl.c b/tests/regression_tests/source_mcpl_file/gen_dummy_mcpl.c
new file mode 100644
index 000000000..7b5a933f1
--- /dev/null
+++ b/tests/regression_tests/source_mcpl_file/gen_dummy_mcpl.c
@@ -0,0 +1,97 @@
+#include <mcpl.h>
+#include <stdio.h>
+#include <stdlib.h>
+#include <math.h>
+
+const int batches=10;
+const int particles=10000;
+
+double rand01(){
+  double r=rand()/((double) RAND_MAX);
+  return r;
+}
+
+
+int main(int argc, char **argv){
+  char outfilename[128];
+  snprintf(outfilename,127,"source.%d.mcpl",batches);
+
+  /*generate an mcpl_header_of sorts*/
+  mcpl_outfile_t outfile=mcpl_create_outfile(outfilename);
+  mcpl_particle_t *particle, Particle;
+
+  char line[256];
+  snprintf(line,255,"gen_dummy_mcpl.c");
+  mcpl_hdr_set_srcname(outfile,line);
+  mcpl_enable_universal_pdgcode(outfile,2112);/*all particles are neutrons*/
+  snprintf(line,255,"Dummy MCPL-file for testing OpenMC mcpl input");
+  mcpl_hdr_add_comment(outfile,line);
+
+  /*also add the instrument file and the command line as blobs*/
+  FILE *fp;
+  if( (fp=fopen("gen_dummy_mcpl.c","rb"))!=NULL){
+    unsigned char *buffer;
+    int size,status;
+    /*find the file size by seeking to end, "tell" the position, and then go back again*/
+    fseek(fp, 0L, SEEK_END);
+    size = ftell(fp); // get current file pointer
+    fseek(fp, 0L, SEEK_SET); // seek back to beginning of file
+    if ( size && (buffer=malloc(size))!=NULL){
+      if (size!=(fread(buffer,1,size,fp))){
+        fprintf(stderr,"Warning: c source generator file not read cleanly\n");
+      }
+      mcpl_hdr_add_data(outfile, "mcpl_point_source_file_generator", size, buffer);
+      free(buffer);
+    }
+    fclose(fp);
+  } else {
+    fprintf(stderr,"Warning: could not open c source generator file, hence not embedded.\n");
+  }
+
+
+  /*the main particle loop*/
+  particle=&Particle;
+  int i;
+  for (i=0;i<batches*particles; i++){
+    if(i%particles==0){
+      printf("batch number %d\n",i/particles);
+    }
+    /*generate a point source - i.e. x,y,z are 0*/
+    particle->position[0]=0;
+    particle->position[1]=0;
+    particle->position[2]=0;
+    
+    /*generate a random direction on unit sphere*/
+    double nrm=2.0;
+    double vx,vy,vz;
+    int iter=0;
+    do {
+      if(iter>100){
+        printf("warning: exceeed max random vector attempts: at loop %d -> %g   %d\n",i,nrm,iter);
+      }
+      vx=rand01()*2.0-1.0;
+      vy=rand01()*2.0-1.0;
+      vz=rand01()*2.0-1.0;
+      nrm=(vx*vx + vy*vy + vz*vz);
+      iter++;
+    } while (nrm>1.0);
+    vx/=sqrt(nrm);
+    vy/=sqrt(nrm);
+    vz/=sqrt(nrm);
+    particle->direction[0]=vx;
+    particle->direction[1]=vy;
+    particle->direction[2]=vz;
+
+    /*generate the kinetic energy (in MeV) of the particle*/ 
+    particle->ekin=1e-3;
+ 
+    /*set time=0*/
+    particle->time=0;
+    /*set weight*/
+    particle->weight=1;
+
+    particle->userflags=0;
+    mcpl_add_particle(outfile,particle);
+  }
+  mcpl_closeandgzip_outfile(outfile);
+}

From c6b42e828cf8bf9bccf77d296976ff83902fb346 Mon Sep 17 00:00:00 2001
From: erkn <erik@vonbrun.org>
Date: Tue, 5 Jul 2022 01:30:07 +0200
Subject: [PATCH 1099/2654] don't zip the output-file

---
 .../source_mcpl_file/gen_dummy_mcpl.c                | 12 ++++++------
 1 file changed, 6 insertions(+), 6 deletions(-)

diff --git a/tests/regression_tests/source_mcpl_file/gen_dummy_mcpl.c b/tests/regression_tests/source_mcpl_file/gen_dummy_mcpl.c
index 7b5a933f1..f35a07fc4 100644
--- a/tests/regression_tests/source_mcpl_file/gen_dummy_mcpl.c
+++ b/tests/regression_tests/source_mcpl_file/gen_dummy_mcpl.c
@@ -54,20 +54,20 @@ int main(int argc, char **argv){
   int i;
   for (i=0;i<batches*particles; i++){
     if(i%particles==0){
-      printf("batch number %d\n",i/particles);
+      printf("MCPL_test: generating batch number %d\n",i/particles);
     }
     /*generate a point source - i.e. x,y,z are 0*/
     particle->position[0]=0;
     particle->position[1]=0;
     particle->position[2]=0;
-    
+
     /*generate a random direction on unit sphere*/
     double nrm=2.0;
     double vx,vy,vz;
     int iter=0;
     do {
       if(iter>100){
-        printf("warning: exceeed max random vector attempts: at loop %d -> %g   %d\n",i,nrm,iter);
+        printf("Warning: Exceeded max random vector attempts: at loop %d -> %g   %d\n",i,nrm,iter);
       }
       vx=rand01()*2.0-1.0;
       vy=rand01()*2.0-1.0;
@@ -82,9 +82,9 @@ int main(int argc, char **argv){
     particle->direction[1]=vy;
     particle->direction[2]=vz;
 
-    /*generate the kinetic energy (in MeV) of the particle*/ 
+    /*generate the kinetic energy (in MeV) of the particle*/
     particle->ekin=1e-3;
- 
+
     /*set time=0*/
     particle->time=0;
     /*set weight*/
@@ -93,5 +93,5 @@ int main(int argc, char **argv){
     particle->userflags=0;
     mcpl_add_particle(outfile,particle);
   }
-  mcpl_closeandgzip_outfile(outfile);
+  mcpl_close_outfile(outfile);
 }

From b2f83857e4af32848570abc33985a40587e77489 Mon Sep 17 00:00:00 2001
From: erkn <erik@vonbrun.org>
Date: Tue, 5 Jul 2022 01:53:14 +0200
Subject: [PATCH 1100/2654] now compiles fine if mcpl is indeed installed

---
 .../regression_tests/source_mcpl_file/test.py | 21 ++++++++++++-------
 1 file changed, 14 insertions(+), 7 deletions(-)

diff --git a/tests/regression_tests/source_mcpl_file/test.py b/tests/regression_tests/source_mcpl_file/test.py
index 5a6a87d87..0adf67f1a 100644
--- a/tests/regression_tests/source_mcpl_file/test.py
+++ b/tests/regression_tests/source_mcpl_file/test.py
@@ -3,16 +3,13 @@ import os
 import shutil
 import subprocess
 import textwrap
-
+import glob
 import openmc
 import pytest
 
 from tests.testing_harness import TestHarness
 
-def model():
-  subprocess.run(['gcc','-o gen_dummt_mcpl.out','-lm','-lmcpl','gen_dummy_mcpl.c'] )
-  subprocess.run(['./gen_dummy_mcpl.out'])
-    
+
 class SourceMCPLFileTestHarness(TestHarness):
   def execute_test(self):
     """Run OpenMC with the appropriate arguments and check the outputs."""
@@ -26,6 +23,10 @@ class SourceMCPLFileTestHarness(TestHarness):
     finally:
       self._cleanup()
 
+  def _create_input(self):
+    subprocess.run(['gcc','-o','gen_dummy_mcpl.out','gen_dummy_mcpl.c','-lm','-lmcpl'])
+    subprocess.run(['./gen_dummy_mcpl.out'])
+
   def update_results(self):
     """Update the results_true using the current version of OpenMC."""
     try:
@@ -40,13 +41,19 @@ class SourceMCPLFileTestHarness(TestHarness):
 
   def _test_output_created(self):
     """Check that the output files were created"""
-    stat        epoint = glob.glob(os.path.join(os.getcwd(), self._sp_name))
+    statepoint = glob.glob(os.path.join(os.getcwd(), self._sp_name))
     assert len(statepoint) == 1, 'Either multiple or no statepoint files ' \
       'exist.'
     assert statepoint[0].endswith('h5'), \
       'statepoint file does not end with h5.'
 
+  def _cleanup(self):
+    super()._cleanup()
+    source_mcpl=glob.glob(os.path.join(os.getcwd(),'source*.mcpl'))
+    for f in source_mcpl:
+      if (os.path.exists(f)):
+        os.remove(f)
+
 def test_mcpl_source_file():
   harness = SourceMCPLFileTestHarness('statepoint.10.h5')
   harness.main()
-  

From 005189bfdfa9f956139af45c6504e22d2eb8659c Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erik.knudsen@copenhagenatomics.com>
Date: Mon, 11 Jul 2022 09:49:29 +0200
Subject: [PATCH 1101/2654] fix misprints

---
 src/source.cpp | 10 +++++-----
 1 file changed, 5 insertions(+), 5 deletions(-)

diff --git a/src/source.cpp b/src/source.cpp
index 3dfd00707..3ef5ae16f 100644
--- a/src/source.cpp
+++ b/src/source.cpp
@@ -413,7 +413,7 @@ SourceSite MCPLFileSource::sample(uint64_t *seed){
   SourceSite omc_particle;
   mcpl_particle *mcpl_particle;
   //extract particle from mcpl-file
-  mcpl_particle=mcpl_reazd(mcplfile);
+  mcpl_particle=mcpl_read(mcplfile);
   // check if it is  a neutron or a photon. otherwise skip
   while ( mcpl_particle->pdgcode!=2112 && mcpl_particle->pdgcode!=22 )
   {
@@ -421,9 +421,9 @@ SourceSite MCPLFileSource::sample(uint64_t *seed){
     //check for file exhaustion
   }
 
-  if(mcpl_particle->pdgcode=2112) {
+  if(mcpl_particle->pdgcode==2112) {
     omc_particle_=ParticleType::neutron;
-  } else {
+  } else if (mcpl_particle->pdgcode==22){
     omc_particle_=Particletype::photon;
   }
 
@@ -436,9 +436,9 @@ SourceSite MCPLFileSource::sample(uint64_t *seed){
   omc_particle.u.y=mcpl_particle->direction[1];
   omc_particle.u.z=mcpl_particle->direction[2];
 
-  //mcpl stores particles in MeV
+  //mcpl stores kinetic energy in MeV
   omc_particle.E=mcpl_particle->ekin*1e6;
-
+  //mcpl stores time in ms
   omc_particle.t=mcpl_particle->time*1e-3;
   omc_particle.wgt=mcpl_particle->weight;
   omc_particle.delayed_group=0;

From 935396e40bf97a6ba4a9dcf2dcac30b5a80056ba Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erik.knudsen@copenhagenatomics.com>
Date: Tue, 12 Jul 2022 13:48:55 +0200
Subject: [PATCH 1102/2654] add necessary xmls

---
 tests/regression_tests/source_mcpl_file/geometry.xml  | 8 ++++++++
 tests/regression_tests/source_mcpl_file/materials.xml | 9 +++++++++
 2 files changed, 17 insertions(+)
 create mode 100644 tests/regression_tests/source_mcpl_file/geometry.xml
 create mode 100644 tests/regression_tests/source_mcpl_file/materials.xml

diff --git a/tests/regression_tests/source_mcpl_file/geometry.xml b/tests/regression_tests/source_mcpl_file/geometry.xml
new file mode 100644
index 000000000..bc56030e1
--- /dev/null
+++ b/tests/regression_tests/source_mcpl_file/geometry.xml
@@ -0,0 +1,8 @@
+<?xml version="1.0"?>
+<geometry>
+
+  <!-- Sphere with radius 10 -->
+  <surface id="1" type="sphere" coeffs="0 0 0 10" boundary="vacuum"/>
+  <cell id="1" material="1" region="-1" />
+    
+</geometry>
diff --git a/tests/regression_tests/source_mcpl_file/materials.xml b/tests/regression_tests/source_mcpl_file/materials.xml
new file mode 100644
index 000000000..2472a7471
--- /dev/null
+++ b/tests/regression_tests/source_mcpl_file/materials.xml
@@ -0,0 +1,9 @@
+<?xml version="1.0"?>
+<materials>
+
+  <material id="1">
+    <density value="4.5" units="g/cc" />
+    <nuclide name="U235" ao="1.0" />
+  </material>
+
+</materials>

From e87ebfebc29b07f9ca575629364165fc129ed512 Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erik.knudsen@copenhagenatomics.com>
Date: Tue, 12 Jul 2022 13:49:56 +0200
Subject: [PATCH 1103/2654] set seed to make test deteministic

---
 tests/regression_tests/source_mcpl_file/gen_dummy_mcpl.c | 1 +
 1 file changed, 1 insertion(+)

diff --git a/tests/regression_tests/source_mcpl_file/gen_dummy_mcpl.c b/tests/regression_tests/source_mcpl_file/gen_dummy_mcpl.c
index f35a07fc4..61eea95c6 100644
--- a/tests/regression_tests/source_mcpl_file/gen_dummy_mcpl.c
+++ b/tests/regression_tests/source_mcpl_file/gen_dummy_mcpl.c
@@ -52,6 +52,7 @@ int main(int argc, char **argv){
   /*the main particle loop*/
   particle=&Particle;
   int i;
+  srand(1234);
   for (i=0;i<batches*particles; i++){
     if(i%particles==0){
       printf("MCPL_test: generating batch number %d\n",i/particles);

From c93defee59ed911ad9d34afd6987d10d9d75f733 Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erik.knudsen@copenhagenatomics.com>
Date: Tue, 12 Jul 2022 13:50:35 +0200
Subject: [PATCH 1104/2654] test target result

---
 tests/regression_tests/source_mcpl_file/results_true.dat | 2 ++
 1 file changed, 2 insertions(+)
 create mode 100644 tests/regression_tests/source_mcpl_file/results_true.dat

diff --git a/tests/regression_tests/source_mcpl_file/results_true.dat b/tests/regression_tests/source_mcpl_file/results_true.dat
new file mode 100644
index 000000000..f2209006a
--- /dev/null
+++ b/tests/regression_tests/source_mcpl_file/results_true.dat
@@ -0,0 +1,2 @@
+k-combined:
+3.017557E-01 3.398770E-03

From c21ff938c79bd905bb0f6e60c7abbf960b3d87f3 Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erik.knudsen@copenhagenatomics.com>
Date: Tue, 12 Jul 2022 13:50:53 +0200
Subject: [PATCH 1105/2654] yet another necessary file

---
 tests/regression_tests/source_mcpl_file/settings.xml | 11 +++++++++++
 1 file changed, 11 insertions(+)
 create mode 100644 tests/regression_tests/source_mcpl_file/settings.xml

diff --git a/tests/regression_tests/source_mcpl_file/settings.xml b/tests/regression_tests/source_mcpl_file/settings.xml
new file mode 100644
index 000000000..8b1510e0c
--- /dev/null
+++ b/tests/regression_tests/source_mcpl_file/settings.xml
@@ -0,0 +1,11 @@
+<?xml version="1.0"?>
+<settings>
+  <eigenvalue>
+    <batches>10</batches>
+    <inactive>5</inactive>
+    <particles>1000</particles>
+  </eigenvalue>
+  <source>
+    <mcpl>source.10.mcpl</mcpl>
+  </source>
+</settings>

From a123d239ddf016167cef9c99add91c5f665ac19c Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erik.knudsen@copenhagenatomics.com>
Date: Tue, 12 Jul 2022 14:40:01 +0200
Subject: [PATCH 1106/2654] add a check that the test input got created as
 intended

---
 tests/regression_tests/source_mcpl_file/test.py | 12 +++++++++++-
 1 file changed, 11 insertions(+), 1 deletion(-)

diff --git a/tests/regression_tests/source_mcpl_file/test.py b/tests/regression_tests/source_mcpl_file/test.py
index 0adf67f1a..922ddddd3 100644
--- a/tests/regression_tests/source_mcpl_file/test.py
+++ b/tests/regression_tests/source_mcpl_file/test.py
@@ -15,6 +15,7 @@ class SourceMCPLFileTestHarness(TestHarness):
     """Run OpenMC with the appropriate arguments and check the outputs."""
     try:
       self._create_input()
+      self._test_input_created()
       self._run_openmc()
       self._test_output_created()
       results = self._get_results()
@@ -31,6 +32,7 @@ class SourceMCPLFileTestHarness(TestHarness):
     """Update the results_true using the current version of OpenMC."""
     try:
       self._create_input()
+      self._test_input_created()
       self._run_openmc()
       self._test_output_created()
       results = self._get_results()
@@ -39,6 +41,14 @@ class SourceMCPLFileTestHarness(TestHarness):
     finally:
       self._cleanup()
 
+  def _test_input_created(self):
+    """Check that the input mcpl.file was generated as it should"""
+    mcplfile=glob.glob(os.path.join(os.getcwd(),'source.10.mcpl'))
+    assert len(mcplfile) == 1, 'Either multiple or no mcpl files ' \
+      'exist.'
+    assert mcplfile[0].endswith('mcpl'), \
+      'output file does not end with mcpl.'
+
   def _test_output_created(self):
     """Check that the output files were created"""
     statepoint = glob.glob(os.path.join(os.getcwd(), self._sp_name))
@@ -55,5 +65,5 @@ class SourceMCPLFileTestHarness(TestHarness):
         os.remove(f)
 
 def test_mcpl_source_file():
-  harness = SourceMCPLFileTestHarness('statepoint.10.h5')
+  harness = SourceMCPLFileTestHarness('source.10.mcpl')
   harness.main()

From 1509420c214275d2c27b458caefdfc943cd413de Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erik.knudsen@copenhagenatomics.com>
Date: Wed, 13 Jul 2022 10:25:55 +0200
Subject: [PATCH 1107/2654] fix bugs and finalize interface to MCPL

---
 include/openmc/source.h | 22 +++++++------
 src/source.cpp          | 73 +++++++++++++++++++++++++----------------
 2 files changed, 57 insertions(+), 38 deletions(-)

diff --git a/include/openmc/source.h b/include/openmc/source.h
index 24a3d10ae..0c944aef9 100644
--- a/include/openmc/source.h
+++ b/include/openmc/source.h
@@ -14,6 +14,10 @@
 #include "openmc/particle.h"
 #include "openmc/vector.h"
 
+#ifdef OPENMC_MCPL
+#include <mcpl.h>
+#endif
+
 namespace openmc {
 
 //==============================================================================
@@ -110,6 +114,7 @@ private:
   vector<SourceSite> sites_; //!< Source sites from a file
 };
 
+#ifdef OPENMC_MCPL
 //==============================================================================
 // MCPL-file input source
 //==============================================================================
@@ -119,24 +124,21 @@ public:
   MCPLFileSource(std::string path);
   ~MCPLFileSource();
 
-  // Properties
-  ParticleType particle_type() const { return particle_; }
-
+  // Methods
   //! Sample from the external source distribution
   //! \param[inout] seed Pseudorandom seed pointer
   //! \return Site read from MCPL-file
-  SourceSite sample(uint64_t* seed) const override;
+  SourceSite sample(uint64_t* seed) const;
 
 private:
-  ParticleType particle_ {ParticleType::neutron}; //!< Type of particle emitted
+  SourceSite read_single_particle() const;
+  void read_source_bank(vector<SourceSite> &sites_);
+
   vector <SourceSite> sites_; //!<source sites from an MCPL-file
   mcpl_file_t mcpl_file;
-
-  uint64_t read_particles;
+  uint64_t n_sites;
 };
-
-
-
+#endif
 
 //==============================================================================
 //! Wrapper for custom sources that manages opening/closing shared library
diff --git a/src/source.cpp b/src/source.cpp
index 3ef5ae16f..bdfe5349c 100644
--- a/src/source.cpp
+++ b/src/source.cpp
@@ -33,7 +33,7 @@
 #include "openmc/state_point.h"
 #include "openmc/xml_interface.h"
 
-#ifdef HAS_MCPL
+#ifdef OPENMC_MCPL
 #include <mcpl.h>
 #endif
 
@@ -382,6 +382,7 @@ CustomSourceWrapper::~CustomSourceWrapper()
 #endif
 }
 
+#ifdef OPENMC_MCPL
 //===========================================================================
 // Read particles from an MCPL-file
 //===========================================================================
@@ -397,54 +398,70 @@ MCPLFileSource::MCPLFileSource(std::string path)
   write_message(6, "Reading mcpl source file from {}",path);
 
   // Open the mcpl file
-  mcpl_file = mcpl_open(path.c_str);
+  mcpl_file = mcpl_open_file(path.c_str());
 
   //do checks on the mcpl_file to see if particles are many enough.
   // should model this on the example source shown in the docs.
-  uint64_t nparticles=mcpl_hdr_nparticles(mcpl_file);
+  n_sites=mcpl_hdr_nparticles(mcpl_file);
 
+  read_source_bank(sites_);
 }
 
-MCPLFileSource::~MCPLFilsSource(){
+MCPLFileSource::~MCPLFileSource(){
   mcpl_close_file(mcpl_file);
 }
 
-SourceSite MCPLFileSource::sample(uint64_t *seed){
-  SourceSite omc_particle;
-  mcpl_particle *mcpl_particle;
+SourceSite MCPLFileSource::sample(uint64_t* seed) const
+{
+  size_t i_site = sites_.size() * prn(seed);
+  return sites_[i_site];
+}
+
+void MCPLFileSource::read_source_bank(vector<SourceSite> &sites_)
+{
+  sites_.resize(n_sites);
+  for (int i=0;i<n_sites;i++){
+    sites_[i]=read_single_particle();
+  }
+}
+
+SourceSite MCPLFileSource::read_single_particle() const
+{
+  SourceSite omc_particle_;
+  const mcpl_particle_t *mcpl_particle;
   //extract particle from mcpl-file
-  mcpl_particle=mcpl_read(mcplfile);
-  // check if it is  a neutron or a photon. otherwise skip
-  while ( mcpl_particle->pdgcode!=2112 && mcpl_particle->pdgcode!=22 )
-  {
-    mcpl_particle(mcpl_read(mcplfile);
-    //check for file exhaustion
+  mcpl_particle=mcpl_read(mcpl_file);
+  // check if it is a neutron or a photon. otherwise skip
+  while ( mcpl_particle->pdgcode!=2112 && mcpl_particle->pdgcode!=22 ) {
+    mcpl_particle=mcpl_read(mcpl_file);
+    //should check for file exhaustion This could happen if particles are other than
+    //neutrons or photons
   }
 
   if(mcpl_particle->pdgcode==2112) {
-    omc_particle_=ParticleType::neutron;
-  } else if (mcpl_particle->pdgcode==22){
-    omc_particle_=Particletype::photon;
+    omc_particle_.particle=ParticleType::neutron;
+  } else if (mcpl_particle->pdgcode==22) {
+    omc_particle_.particle=ParticleType::photon;
   }
 
   //particle is good, convert to openmc-formalism
-  omc_particle.r.x=mcpl_particle.x;
-  omc_particle.r.y=mcpl_particle.y;
-  omc_particle.r.z=mcpl_particle.z;
+  omc_particle_.r.x=mcpl_particle->position[0];
+  omc_particle_.r.y=mcpl_particle->position[1];
+  omc_particle_.r.z=mcpl_particle->position[2];
 
-  omc_particle.u.x=mcpl_particle->direction[0];
-  omc_particle.u.y=mcpl_particle->direction[1];
-  omc_particle.u.z=mcpl_particle->direction[2];
+  omc_particle_.u.x=mcpl_particle->direction[0];
+  omc_particle_.u.y=mcpl_particle->direction[1];
+  omc_particle_.u.z=mcpl_particle->direction[2];
 
   //mcpl stores kinetic energy in MeV
-  omc_particle.E=mcpl_particle->ekin*1e6;
+  omc_particle_.E=mcpl_particle->ekin*1e6;
   //mcpl stores time in ms
-  omc_particle.t=mcpl_particle->time*1e-3;
-  omc_particle.wgt=mcpl_particle->weight;
-  omc_particle.delayed_group=0;
-  return omc_particle;
+  omc_particle_.time=mcpl_particle->time*1e-3;
+  omc_particle_.wgt=mcpl_particle->weight;
+  omc_particle_.delayed_group=0;
+  return omc_particle_;
 }
-
+#endif //OPENMC_MCPL
 
 //==============================================================================
 // Non-member functions

From 2cbcd53f077b3afc7d01e0ebfe70ba1e0790fe39 Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erik.knudsen@copenhagenatomics.com>
Date: Wed, 13 Jul 2022 10:26:24 +0200
Subject: [PATCH 1108/2654] add an option to turn on mcpl-support

---
 CMakeLists.txt | 9 +++++++++
 1 file changed, 9 insertions(+)

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 521b46cfc..1408e85af 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -36,6 +36,7 @@ option(OPENMC_ENABLE_COVERAGE "Compile with coverage analysis flags"
 option(OPENMC_USE_DAGMC       "Enable support for DAGMC (CAD) geometry"              OFF)
 option(OPENMC_USE_LIBMESH     "Enable support for libMesh unstructured mesh tallies" OFF)
 option(OPENMC_USE_MPI         "Enable MPI"                                           OFF)
+option(OPENMC_USE_MCPL        "Enable MPCPL"                                         OFF)
 
 # Warnings for deprecated options
 foreach(OLD_OPT IN ITEMS "openmp" "profile" "coverage" "dagmc" "libmesh")
@@ -185,6 +186,10 @@ if(OPENMC_ENABLE_COVERAGE)
   list(APPEND ldflags --coverage)
 endif()
 
+if(OPENMC_USE_MCPL)
+  list(APPEND ldflags -lmcpl)
+endif()
+
 # Show flags being used
 message(STATUS "OpenMC C++ flags: ${cxxflags}")
 message(STATUS "OpenMC Linker flags: ${ldflags}")
@@ -439,6 +444,10 @@ endif()
 if (OPENMC_USE_MPI)
   target_compile_definitions(libopenmc PUBLIC -DOPENMC_MPI)
 endif()
+if(OPENMC_USE_MCPL)
+  target_compile_definitions(libopenmc PUBLIC -DOPENMC_MCPL)
+endif()
+
 
 # Set git SHA1 hash as a compile definition
 if(GIT_FOUND)

From 46e648cf383df7b7b72b4f1f5c389f3c191c69a1 Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erik.knudsen@copenhagenatomics.com>
Date: Wed, 13 Jul 2022 10:27:18 +0200
Subject: [PATCH 1109/2654] add a source type to the settings interface

---
 src/settings.cpp | 3 +++
 1 file changed, 3 insertions(+)

diff --git a/src/settings.cpp b/src/settings.cpp
index eb0d4936c..12e0a8050 100644
--- a/src/settings.cpp
+++ b/src/settings.cpp
@@ -430,6 +430,9 @@ void read_settings_xml()
     if (check_for_node(node, "file")) {
       auto path = get_node_value(node, "file", false, true);
       model::external_sources.push_back(make_unique<FileSource>(path));
+    } else if (check_for_node(node, "mcpl")) {
+      auto path = get_node_value(node, "mcpl", false, true);
+      model::external_sources.push_back(make_unique<MCPLFileSource>(path));
     } else if (check_for_node(node, "library")) {
       // Get shared library path and parameters
       auto path = get_node_value(node, "library", false, true);

From 96ae7b4228798549d1bb969777a73f926ba19465 Mon Sep 17 00:00:00 2001
From: erkn <erik@vonbrun.org>
Date: Sat, 9 Jul 2022 16:31:00 +0200
Subject: [PATCH 1110/2654] fix misprints

---
 src/source.cpp | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/src/source.cpp b/src/source.cpp
index bdfe5349c..4b27bdc7e 100644
--- a/src/source.cpp
+++ b/src/source.cpp
@@ -392,7 +392,7 @@ MCPLFileSource::MCPLFileSource(std::string path)
   if (!file_exists(path)) {
     fatal_error(fmt::format("Source file '{}' does not exist.", path));
   }
-   
+
   // Read the source from a binary file instead of sampling from some
   // assumed source distribution
   write_message(6, "Reading mcpl source file from {}",path);

From 2fa445193870a1bd6818fd82d1ea755e890c2309 Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erik.knudsen@copenhagenatomics.com>
Date: Wed, 13 Jul 2022 12:13:10 +0200
Subject: [PATCH 1111/2654] only add mcpl-support if OPENMC_MCPL is defined

---
 src/settings.cpp | 2 ++
 1 file changed, 2 insertions(+)

diff --git a/src/settings.cpp b/src/settings.cpp
index 12e0a8050..d419cab06 100644
--- a/src/settings.cpp
+++ b/src/settings.cpp
@@ -430,9 +430,11 @@ void read_settings_xml()
     if (check_for_node(node, "file")) {
       auto path = get_node_value(node, "file", false, true);
       model::external_sources.push_back(make_unique<FileSource>(path));
+#ifdef OPENMC_MCPL
     } else if (check_for_node(node, "mcpl")) {
       auto path = get_node_value(node, "mcpl", false, true);
       model::external_sources.push_back(make_unique<MCPLFileSource>(path));
+#endif
     } else if (check_for_node(node, "library")) {
       // Get shared library path and parameters
       auto path = get_node_value(node, "library", false, true);

From 2773add0473f28d225c1ad9efbc6fcc9e97230ed Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erik.knudsen@copenhagenatomics.com>
Date: Wed, 13 Jul 2022 14:13:33 +0200
Subject: [PATCH 1112/2654] needed to avoid name clashes with other tests

---
 tests/regression_tests/source_mcpl_file/__init__.py | 0
 1 file changed, 0 insertions(+), 0 deletions(-)
 create mode 100644 tests/regression_tests/source_mcpl_file/__init__.py

diff --git a/tests/regression_tests/source_mcpl_file/__init__.py b/tests/regression_tests/source_mcpl_file/__init__.py
new file mode 100644
index 000000000..e69de29bb

From bb8c022d77f8e22ad3d856edeb2b1a16a6311067 Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erik.knudsen@copenhagenatomics.com>
Date: Wed, 13 Jul 2022 20:55:53 +0200
Subject: [PATCH 1113/2654] fail without tripping the entire test-process

---
 tests/regression_tests/source_mcpl_file/test.py | 8 ++------
 1 file changed, 2 insertions(+), 6 deletions(-)

diff --git a/tests/regression_tests/source_mcpl_file/test.py b/tests/regression_tests/source_mcpl_file/test.py
index 922ddddd3..f55a76904 100644
--- a/tests/regression_tests/source_mcpl_file/test.py
+++ b/tests/regression_tests/source_mcpl_file/test.py
@@ -1,11 +1,6 @@
-import pathlib as pl
 import os
-import shutil
 import subprocess
-import textwrap
 import glob
-import openmc
-import pytest
 
 from tests.testing_harness import TestHarness
 
@@ -25,7 +20,8 @@ class SourceMCPLFileTestHarness(TestHarness):
       self._cleanup()
 
   def _create_input(self):
-    subprocess.run(['gcc','-o','gen_dummy_mcpl.out','gen_dummy_mcpl.c','-lm','-lmcpl'])
+    compiled=subprocess.run(['gcc','-o','gen_dummy_mcpl.out','gen_dummy_mcpl.c','-lm','-lmcpl'])
+    assert compiled==0, 'Could not compile mcpl-file generator code'
     subprocess.run(['./gen_dummy_mcpl.out'])
 
   def update_results(self):

From 2730f1954f154df24ed7171e9dda39e4325c1b2c Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erik.knudsen@copenhagenatomics.com>
Date: Tue, 6 Sep 2022 09:11:41 +0200
Subject: [PATCH 1114/2654] allow electrons and positrons as well

---
 src/source.cpp | 29 ++++++++++++++++++++---------
 1 file changed, 20 insertions(+), 9 deletions(-)

diff --git a/src/source.cpp b/src/source.cpp
index 4b27bdc7e..cfcd79e0a 100644
--- a/src/source.cpp
+++ b/src/source.cpp
@@ -429,19 +429,30 @@ SourceSite MCPLFileSource::read_single_particle() const
 {
   SourceSite omc_particle_;
   const mcpl_particle_t *mcpl_particle;
-  //extract particle from mcpl-file
+  // extract particle from mcpl-file
   mcpl_particle=mcpl_read(mcpl_file);
-  // check if it is a neutron or a photon. otherwise skip
-  while ( mcpl_particle->pdgcode!=2112 && mcpl_particle->pdgcode!=22 ) {
+  // check if it is a neutron, photon, electron, or positron. Otherwise skip.
+  int pdg=mcpl_particle->pdgcode;
+  while ( pdg!=2112 && pdg!=22 && pdg!=11 && pdg!=-11) {
     mcpl_particle=mcpl_read(mcpl_file);
-    //should check for file exhaustion This could happen if particles are other than
-    //neutrons or photons
+    pdg=mcpl_particle->pdgcode;
+    //should check for file exhaustion. This could happen if particles are other than
+    //neutrons, photons, electrons, or positrons.
   }
 
-  if(mcpl_particle->pdgcode==2112) {
-    omc_particle_.particle=ParticleType::neutron;
-  } else if (mcpl_particle->pdgcode==22) {
-    omc_particle_.particle=ParticleType::photon;
+  switch(pdg){
+    case 2112:
+      omc_particle_.particle=ParticleType::neutron;
+      break;
+    case 22:
+      omc_particle_.particle=ParticleType::photon;
+      break;
+    case 11:
+      omc_particle_.particle=ParticleType::electron;
+      break;
+    case -11:
+      omc_particle_.particle=ParticleType::positron;
+      break;
   }
 
   //particle is good, convert to openmc-formalism

From 3b052f03cfce7605bf96641346800022e462a02a Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erik.knudsen@copenhagenatomics.com>
Date: Tue, 6 Sep 2022 09:12:01 +0200
Subject: [PATCH 1115/2654] expose a python function to check for mcpl

---
 openmc/lib/__init__.py | 3 +++
 src/source.cpp         | 6 ++++++
 2 files changed, 9 insertions(+)

diff --git a/openmc/lib/__init__.py b/openmc/lib/__init__.py
index c14b0d9c2..1e337fc07 100644
--- a/openmc/lib/__init__.py
+++ b/openmc/lib/__init__.py
@@ -48,6 +48,9 @@ def _coord_levels():
 def _libmesh_enabled():
     return c_bool.in_dll(_dll, "LIBMESH_ENABLED").value
 
+def _mcpl_enabled():
+    return c_bool.in_dll(_dll, "MCPL_ENABLED").value
+
 from .error import *
 from .core import *
 from .nuclide import *
diff --git a/src/source.cpp b/src/source.cpp
index cfcd79e0a..dbfcd1ceb 100644
--- a/src/source.cpp
+++ b/src/source.cpp
@@ -43,6 +43,12 @@ namespace openmc {
 // Global variables
 //==============================================================================
 
+#ifdef OPENMC_MCPL
+const bool MCPL_ENABLED = true;
+#else
+const bool MCPL_ENABLED = false;
+#endif
+
 namespace model {
 
 vector<unique_ptr<Source>> external_sources;

From 5640bdb9eb25bc5675928490ef4bf925e9155ae1 Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erik.knudsen@copenhagenatomics.com>
Date: Fri, 15 Jul 2022 21:35:59 +0200
Subject: [PATCH 1116/2654] fix typo

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 CMakeLists.txt | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 1408e85af..32beb41ec 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -36,7 +36,7 @@ option(OPENMC_ENABLE_COVERAGE "Compile with coverage analysis flags"
 option(OPENMC_USE_DAGMC       "Enable support for DAGMC (CAD) geometry"              OFF)
 option(OPENMC_USE_LIBMESH     "Enable support for libMesh unstructured mesh tallies" OFF)
 option(OPENMC_USE_MPI         "Enable MPI"                                           OFF)
-option(OPENMC_USE_MCPL        "Enable MPCPL"                                         OFF)
+option(OPENMC_USE_MCPL        "Enable MCPL"                                          OFF)
 
 # Warnings for deprecated options
 foreach(OLD_OPT IN ITEMS "openmp" "profile" "coverage" "dagmc" "libmesh")

From 95338eada002270c437906cb55607945dabe39b0 Mon Sep 17 00:00:00 2001
From: erkn <erik@vonbrun.org>
Date: Tue, 9 Aug 2022 08:12:19 +0200
Subject: [PATCH 1117/2654] refactor MCPL file read part of FileSource

A new constructor is added to FileSource that reads from
a given MCPL-file.
---
 include/openmc/source.h |  30 +--------
 src/settings.cpp        |   2 +-
 src/source.cpp          | 139 ++++++++++++++--------------------------
 3 files changed, 52 insertions(+), 119 deletions(-)

diff --git a/include/openmc/source.h b/include/openmc/source.h
index 0c944aef9..bb7e2d55f 100644
--- a/include/openmc/source.h
+++ b/include/openmc/source.h
@@ -106,7 +106,9 @@ class FileSource : public Source {
 public:
   // Constructors
   explicit FileSource(std::string path);
-
+#ifdef OPENMC_MCPL
+  explicit FileSource(mcpl_file_t mcpl_file);
+#endif
   // Methods
   SourceSite sample(uint64_t* seed) const override;
 
@@ -114,32 +116,6 @@ private:
   vector<SourceSite> sites_; //!< Source sites from a file
 };
 
-#ifdef OPENMC_MCPL
-//==============================================================================
-// MCPL-file input source
-//==============================================================================
-class MCPLFileSource : public Source {
-public:
-  // Constructors, destructors
-  MCPLFileSource(std::string path);
-  ~MCPLFileSource();
-
-  // Methods
-  //! Sample from the external source distribution
-  //! \param[inout] seed Pseudorandom seed pointer
-  //! \return Site read from MCPL-file
-  SourceSite sample(uint64_t* seed) const;
-
-private:
-  SourceSite read_single_particle() const;
-  void read_source_bank(vector<SourceSite> &sites_);
-
-  vector <SourceSite> sites_; //!<source sites from an MCPL-file
-  mcpl_file_t mcpl_file;
-  uint64_t n_sites;
-};
-#endif
-
 //==============================================================================
 //! Wrapper for custom sources that manages opening/closing shared library
 //==============================================================================
diff --git a/src/settings.cpp b/src/settings.cpp
index d419cab06..11dd96e02 100644
--- a/src/settings.cpp
+++ b/src/settings.cpp
@@ -433,7 +433,7 @@ void read_settings_xml()
 #ifdef OPENMC_MCPL
     } else if (check_for_node(node, "mcpl")) {
       auto path = get_node_value(node, "mcpl", false, true);
-      model::external_sources.push_back(make_unique<MCPLFileSource>(path));
+      model::external_sources.push_back(make_unique<FileSource>(mcpl_open_file(path.c_str())));
 #endif
     } else if (check_for_node(node, "library")) {
       // Get shared library path and parameters
diff --git a/src/source.cpp b/src/source.cpp
index dbfcd1ceb..e43f03929 100644
--- a/src/source.cpp
+++ b/src/source.cpp
@@ -329,6 +329,54 @@ FileSource::FileSource(std::string path)
   file_close(file_id);
 }
 
+#ifdef OPENMC_MCPL
+FileSource::FileSource(mcpl_file_t mcpl_file)
+{
+  //do checks on the mcpl_file to see if particles are many enough.
+  // should model this on the example source shown in the docs.
+  size_t n_sites=mcpl_hdr_nparticles(mcpl_file);
+
+  sites_.resize(n_sites);
+  for (int i=0;i<n_sites;i++){
+    SourceSite site_;
+
+    const mcpl_particle_t *mcpl_particle;
+    //extract particle from mcpl-file
+    mcpl_particle=mcpl_read(mcpl_file);
+    // check if it is a neutron or a photon. otherwise skip
+    while ( mcpl_particle->pdgcode!=2112 && mcpl_particle->pdgcode!=22 ) {
+      mcpl_particle=mcpl_read(mcpl_file);
+      //should check for file exhaustion This could happen if particles are other than
+      //neutrons or photons
+    }
+
+    if(mcpl_particle->pdgcode==2112) {
+      site_.particle=ParticleType::neutron;
+    } else if (mcpl_particle->pdgcode==22) {
+      site_.particle=ParticleType::photon;
+    }
+
+    //particle is good, convert to openmc-formalism
+    site_.r.x=mcpl_particle->position[0];
+    site_.r.y=mcpl_particle->position[1];
+    site_.r.z=mcpl_particle->position[2];
+
+    site_.u.x=mcpl_particle->direction[0];
+    site_.u.y=mcpl_particle->direction[1];
+    site_.u.z=mcpl_particle->direction[2];
+
+    //mcpl stores kinetic energy in MeV
+    site_.E=mcpl_particle->ekin*1e6;
+    //mcpl stores time in ms
+    site_.time=mcpl_particle->time*1e-3;
+    site_.wgt=mcpl_particle->weight;
+    site_.delayed_group=0;
+    sites_[i]=site_;
+  }
+  mcpl_close_file(mcpl_file);
+}
+#endif //OPENMC_MCPL
+
 SourceSite FileSource::sample(uint64_t* seed) const
 {
   size_t i_site = sites_.size() * prn(seed);
@@ -388,97 +436,6 @@ CustomSourceWrapper::~CustomSourceWrapper()
 #endif
 }
 
-#ifdef OPENMC_MCPL
-//===========================================================================
-// Read particles from an MCPL-file
-//===========================================================================
-MCPLFileSource::MCPLFileSource(std::string path)
-{
-  // Check if source file exists
-  if (!file_exists(path)) {
-    fatal_error(fmt::format("Source file '{}' does not exist.", path));
-  }
-
-  // Read the source from a binary file instead of sampling from some
-  // assumed source distribution
-  write_message(6, "Reading mcpl source file from {}",path);
-
-  // Open the mcpl file
-  mcpl_file = mcpl_open_file(path.c_str());
-
-  //do checks on the mcpl_file to see if particles are many enough.
-  // should model this on the example source shown in the docs.
-  n_sites=mcpl_hdr_nparticles(mcpl_file);
-
-  read_source_bank(sites_);
-}
-
-MCPLFileSource::~MCPLFileSource(){
-  mcpl_close_file(mcpl_file);
-}
-
-SourceSite MCPLFileSource::sample(uint64_t* seed) const
-{
-  size_t i_site = sites_.size() * prn(seed);
-  return sites_[i_site];
-}
-
-void MCPLFileSource::read_source_bank(vector<SourceSite> &sites_)
-{
-  sites_.resize(n_sites);
-  for (int i=0;i<n_sites;i++){
-    sites_[i]=read_single_particle();
-  }
-}
-
-SourceSite MCPLFileSource::read_single_particle() const
-{
-  SourceSite omc_particle_;
-  const mcpl_particle_t *mcpl_particle;
-  // extract particle from mcpl-file
-  mcpl_particle=mcpl_read(mcpl_file);
-  // check if it is a neutron, photon, electron, or positron. Otherwise skip.
-  int pdg=mcpl_particle->pdgcode;
-  while ( pdg!=2112 && pdg!=22 && pdg!=11 && pdg!=-11) {
-    mcpl_particle=mcpl_read(mcpl_file);
-    pdg=mcpl_particle->pdgcode;
-    //should check for file exhaustion. This could happen if particles are other than
-    //neutrons, photons, electrons, or positrons.
-  }
-
-  switch(pdg){
-    case 2112:
-      omc_particle_.particle=ParticleType::neutron;
-      break;
-    case 22:
-      omc_particle_.particle=ParticleType::photon;
-      break;
-    case 11:
-      omc_particle_.particle=ParticleType::electron;
-      break;
-    case -11:
-      omc_particle_.particle=ParticleType::positron;
-      break;
-  }
-
-  //particle is good, convert to openmc-formalism
-  omc_particle_.r.x=mcpl_particle->position[0];
-  omc_particle_.r.y=mcpl_particle->position[1];
-  omc_particle_.r.z=mcpl_particle->position[2];
-
-  omc_particle_.u.x=mcpl_particle->direction[0];
-  omc_particle_.u.y=mcpl_particle->direction[1];
-  omc_particle_.u.z=mcpl_particle->direction[2];
-
-  //mcpl stores kinetic energy in MeV
-  omc_particle_.E=mcpl_particle->ekin*1e6;
-  //mcpl stores time in ms
-  omc_particle_.time=mcpl_particle->time*1e-3;
-  omc_particle_.wgt=mcpl_particle->weight;
-  omc_particle_.delayed_group=0;
-  return omc_particle_;
-}
-#endif //OPENMC_MCPL
 
 //==============================================================================
 // Non-member functions

From 5462216deba46d017db7905a312f0ed458cde6a7 Mon Sep 17 00:00:00 2001
From: erkn <erik@vonbrun.org>
Date: Tue, 6 Sep 2022 02:22:21 +0200
Subject: [PATCH 1118/2654] wip add MCPL-out to openmc

code for writing a source_bank/point compiles but is untested
---
 include/openmc/state_point.h |   9 +++
 src/state_point.cpp          | 125 +++++++++++++++++++++++++++++++++++
 2 files changed, 134 insertions(+)

diff --git a/include/openmc/state_point.h b/include/openmc/state_point.h
index 5ada2bf88..2d92c935a 100644
--- a/include/openmc/state_point.h
+++ b/include/openmc/state_point.h
@@ -9,6 +9,10 @@
 #include "openmc/particle.h"
 #include "openmc/vector.h"
 
+#ifdef OPENMC_MCPL
+#include <mcpl.h>
+#endif
+
 namespace openmc {
 
 void load_state_point();
@@ -21,5 +25,10 @@ void write_tally_results_nr(hid_t file_id);
 void restart_set_keff();
 void write_unstructured_mesh_results();
 
+#ifdef OPENMC_MCPL
+void write_mcpl_source_point(const char *filename_, bool surf_source_bank = false);
+void write_mcpl_source_bank(mcpl_outfile_t file_id, bool surf_source_bank);
+#endif
+
 } // namespace openmc
 #endif // OPENMC_STATE_POINT_H
diff --git a/src/state_point.cpp b/src/state_point.cpp
index 470dd7718..dfbd7f65c 100644
--- a/src/state_point.cpp
+++ b/src/state_point.cpp
@@ -28,6 +28,10 @@
 #include "openmc/timer.h"
 #include "openmc/vector.h"
 
+#ifdef OPENMC_MCPL
+#include <mcpl.h>
+#endif
+
 namespace openmc {
 
 extern "C" int openmc_statepoint_write(const char* filename, bool* write_source)
@@ -599,6 +603,45 @@ void write_source_point(const char* filename, bool surf_source_bank)
     file_close(file_id);
 }
 
+void write_mcpl_point(const char *filename, bool surf_source_bank)
+{
+  std::string filename_;
+  if (filename) {
+    filename_ = filename;
+  } else {
+    // Determine width for zero padding
+    int w = std::to_string(settings::n_max_batches).size();
+
+    filename_ = fmt::format("{0}source.{1:0{2}}.mcpl", settings::path_output,
+      simulation::current_batch, w);
+  }
+
+  mcpl_outfile_t file_id;
+
+  std::string line;
+  if (mpi::master) {
+    // this must be rewritten: file_open is h5-specific
+    file_id = mcpl_create_outfile(filename_.c_str());
+    //write_attribute(file_id, "filetype", "source");
+    //write header stuff (oopy in xml-files as binary blobs for instance))
+    if (VERSION_DEV){
+      line=fmt::format("OpenMC {VERSION_MAJOR}.{VERSION_MINOR}.{VERSION_RELEASE}-development");
+    } else {
+      line=fmt::format("OpenMC {VERSION_MAJOR}.{VERSION_MINOR}.{VERSION_RELEASE}");
+    }
+    mcpl_hdr_set_srcname(file_id,line.c_str());
+  }
+
+  write_mcpl_source_bank(file_id, surf_source_bank);
+
+  if (mpi::master) {
+    //change this - this is h5 specific
+    mcpl_closeandgzip_outfile(file_id);
+  }
+
+}
+
+
 void write_source_bank(hid_t group_id, bool surf_source_bank)
 {
   hid_t banktype = h5banktype();
@@ -715,6 +758,88 @@ void write_source_bank(hid_t group_id, bool surf_source_bank)
   H5Tclose(banktype);
 }
 
+void write_mcpl_source_bank(mcpl_outfile_t file_id, bool surf_source_bank)
+{
+  int64_t dims_size = settings::n_particles;
+  int64_t count_size = simulation::work_per_rank;
+
+  // Set vectors for source bank and starting bank index of each process
+  vector<int64_t>* bank_index = &simulation::work_index;
+  vector<SourceSite>* source_bank = &simulation::source_bank;
+  vector<int64_t> surf_source_index_vector;
+  vector<SourceSite> surf_source_bank_vector;
+
+  if(surf_source_bank) {
+    surf_source_index_vector = calculate_surf_source_size();
+    dims_size = surf_source_index_vector[mpi::n_procs];
+    count_size = simulation::surf_source_bank.size();
+
+    bank_index = &surf_source_index_vector;
+
+    // Copy data in a SharedArray into a vector.
+    surf_source_bank_vector.resize(count_size);
+    surf_source_bank_vector.assign(simulation::surf_source_bank.data(),
+      simulation::surf_source_bank.data() + count_size);
+    source_bank = &surf_source_bank_vector;
+  }
+
+  if (mpi::master) {
+    //write particles from the master node
+    //loop over the other nodes and receive data - then write those.
+    for (int i = 0; i < mpi::n_procs; ++i) {
+#ifdef OPENMC_MPI
+      if (i>0)
+        MPI_Recv(source_bank->data(), count[0], mpi::source_site, i, i,
+          mpi::intracomm, MPI_STATUS_IGNORE);
+#endif
+      //now write the source_banke data again.
+      for (vector<SourceSite>::iterator _site=source_bank->begin(); _site!=source_bank->end();_site++){
+        //particle is now at the iterator
+        //write it to the mcpl-file
+        mcpl_particle_t p;
+        p.position[0]=_site->r.x;
+        p.position[1]=_site->r.y;
+        p.position[2]=_site->r.z;
+
+        p.direction[0]=_site->u.x;
+        p.direction[1]=_site->u.y;
+        p.direction[2]=_site->u.x;
+
+        //mcpl stores kinetic energy in MeV
+        p.ekin=_site->E*1e-6;
+
+        p.time=_site->time*1e3;
+
+        p.weight=_site->wgt;
+
+        switch(_site->particle){
+          case ParticleType::neutron:
+            p.pdgcode=2112;
+            break;
+          case ParticleType::photon:
+            p.pdgcode=22;
+            break;
+          case ParticleType::electron:
+            p.pdgcode=11;
+            break;
+          case ParticleType::positron:
+            p.pdgcode=-11;
+            break;
+        }
+
+        mcpl_add_particle(file_id,&p);
+      }
+    }
+  } else {
+#ifdef OPENMC_MPI
+    MPI_Send(source_bank->data(), count_size, mpi::source_site, 0, mpi::rank,
+      mpi::intracomm);
+#endif
+  }
+
+}
+
+
 // Determine member names of a compound HDF5 datatype
 std::string dtype_member_names(hid_t dtype_id)
 {

From 1519f4f3e6acc5d91dbbb7c952589a2fe39e5537 Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erik.knudsen@copenhagenatomics.com>
Date: Tue, 6 Sep 2022 23:06:19 +0200
Subject: [PATCH 1119/2654] add a trigger to simulation control

---
 src/simulation.cpp | 7 +++++++
 1 file changed, 7 insertions(+)

diff --git a/src/simulation.cpp b/src/simulation.cpp
index d7292cb9d..9c19c2106 100644
--- a/src/simulation.cpp
+++ b/src/simulation.cpp
@@ -407,6 +407,13 @@ void finalize_batch()
     auto filename = settings::path_output + "surface_source.h5";
     write_source_point(filename.c_str(), true);
   }
+
+  if(settings::surf_mcpl_write && simulation::current_batch == settings::n_batches){
+    auto filename = settings::path_output + ".mcpl";
+    write_mcplt_source_point(filename.c_str(), true);
+  }
+
+
 }
 
 void initialize_generation()

From f76e416ee64524ef06705db4f2fa306e4be472f1 Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erkn@fysik.dtu.dk>
Date: Wed, 5 Oct 2022 10:56:36 +0200
Subject: [PATCH 1120/2654] use find_package instead - MCPL now supports this

---
 CMakeLists.txt | 20 ++++++++++++--------
 1 file changed, 12 insertions(+), 8 deletions(-)

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 32beb41ec..24018eb0f 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -159,6 +159,13 @@ if(${HDF5_VERSION} VERSION_GREATER_EQUAL 1.12.0)
   list(APPEND cxxflags -DH5Oget_info_by_idx_vers=1 -DH5O_info_t_vers=1)
 endif()
 
+#===============================================================================
+# MCPL
+#===============================================================================
+if (OPENMC_USE_MCPL)
+  find_package(MCPL REQUIRED)
+endif()
+
 #===============================================================================
 # Set compile/link flags based on which compiler is being used
 #===============================================================================
@@ -186,10 +193,6 @@ if(OPENMC_ENABLE_COVERAGE)
   list(APPEND ldflags --coverage)
 endif()
 
-if(OPENMC_USE_MCPL)
-  list(APPEND ldflags -lmcpl)
-endif()
-
 # Show flags being used
 message(STATUS "OpenMC C++ flags: ${cxxflags}")
 message(STATUS "OpenMC Linker flags: ${ldflags}")
@@ -444,10 +447,6 @@ endif()
 if (OPENMC_USE_MPI)
   target_compile_definitions(libopenmc PUBLIC -DOPENMC_MPI)
 endif()
-if(OPENMC_USE_MCPL)
-  target_compile_definitions(libopenmc PUBLIC -DOPENMC_MCPL)
-endif()
-
 
 # Set git SHA1 hash as a compile definition
 if(GIT_FOUND)
@@ -491,6 +490,11 @@ if (OPENMC_USE_MPI)
   target_link_libraries(libopenmc MPI::MPI_CXX)
 endif()
 
+if (OPENMC_USE_MCPL)
+  target_compile_definitions(libopenmc PUBLIC OPENMC_MCPL)
+  target_link_libraries(libopenmc MCPL::mcpl)
+endif()
+
 #===============================================================================
 # openmc executable
 #===============================================================================

From b6aa2dc429bf7545826991c426bf0843624c7377 Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erkn@fysik.dtu.dk>
Date: Wed, 5 Oct 2022 10:59:02 +0200
Subject: [PATCH 1121/2654] add mcpl-output settings

---
 include/openmc/settings.h | 1 +
 src/settings.cpp          | 8 +++++++-
 2 files changed, 8 insertions(+), 1 deletion(-)

diff --git a/include/openmc/settings.h b/include/openmc/settings.h
index 1e061b235..66825867d 100644
--- a/include/openmc/settings.h
+++ b/include/openmc/settings.h
@@ -48,6 +48,7 @@ extern bool source_latest;         //!< write latest source at each batch?
 extern bool source_separate;       //!< write source to separate file?
 extern bool source_write;          //!< write source in HDF5 files?
 extern bool surf_source_write;     //!< write surface source file?
+extern bool surf_mcpl_write;       //!< write surface mcpl file?
 extern bool surf_source_read;      //!< read surface source file?
 extern bool survival_biasing;      //!< use survival biasing?
 extern bool temperature_multipole; //!< use multipole data?
diff --git a/src/settings.cpp b/src/settings.cpp
index 11dd96e02..d1762596c 100644
--- a/src/settings.cpp
+++ b/src/settings.cpp
@@ -61,6 +61,7 @@ bool source_latest {false};
 bool source_separate {false};
 bool source_write {true};
 bool surf_source_write {false};
+bool surf_mcpl_write {false};
 bool surf_source_read {false};
 bool survival_biasing {false};
 bool temperature_multipole {false};
@@ -682,9 +683,14 @@ void read_settings_xml()
       max_surface_particles =
         std::stoll(get_node_value(node_ssw, "max_particles"));
     }
+#ifdef OPENMC_MCPL
+    if(check_for_node(node_ssw, "mcpl")){
+      surf_mcpl_write=true;
+    }
+#endif
   }
 
-  // If source is not seperate and is to be written out in the statepoint file,
+  // If source is not separate and is to be written out in the statepoint file,
   // make sure that the sourcepoint batch numbers are contained in the
   // statepoint list
   if (!source_separate) {

From 22ce618601c8dbefd4759c51d50b7a17ba09dbba Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erkn@fysik.dtu.dk>
Date: Wed, 5 Oct 2022 10:59:28 +0200
Subject: [PATCH 1122/2654] fix typo

---
 src/simulation.cpp | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/src/simulation.cpp b/src/simulation.cpp
index 9c19c2106..fcb115849 100644
--- a/src/simulation.cpp
+++ b/src/simulation.cpp
@@ -410,7 +410,7 @@ void finalize_batch()
 
   if(settings::surf_mcpl_write && simulation::current_batch == settings::n_batches){
     auto filename = settings::path_output + ".mcpl";
-    write_mcplt_source_point(filename.c_str(), true);
+    write_mcpl_source_point(filename.c_str(), true);
   }
 
 

From 76e726b527c1b738b8b5842999e69ec4d6c4c57d Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erkn@fysik.dtu.dk>
Date: Wed, 5 Oct 2022 11:00:39 +0200
Subject: [PATCH 1123/2654] add cond. compilation guards for MCPL functions

---
 src/state_point.cpp | 8 +++++---
 1 file changed, 5 insertions(+), 3 deletions(-)

diff --git a/src/state_point.cpp b/src/state_point.cpp
index dfbd7f65c..14a541128 100644
--- a/src/state_point.cpp
+++ b/src/state_point.cpp
@@ -603,7 +603,8 @@ void write_source_point(const char* filename, bool surf_source_bank)
     file_close(file_id);
 }
 
-void write_mcpl_point(const char *filename, bool surf_source_bank)
+#ifdef OPENMC_MCPL
+void write_mcpl_source_point(const char *filename, bool surf_source_bank)
 {
   std::string filename_;
   if (filename) {
@@ -640,7 +641,7 @@ void write_mcpl_point(const char *filename, bool surf_source_bank)
   }
 
 }
-
+#endif
 
 void write_source_bank(hid_t group_id, bool surf_source_bank)
 {
@@ -758,6 +759,7 @@ void write_source_bank(hid_t group_id, bool surf_source_bank)
   H5Tclose(banktype);
 }
 
+#ifdef OPENMC_MCPL
 void write_mcpl_source_bank(mcpl_outfile_t file_id, bool surf_source_bank)
 {
   int64_t dims_size = settings::n_particles;
@@ -838,7 +840,7 @@ void write_mcpl_source_bank(mcpl_outfile_t file_id, bool surf_source_bank)
   }
 
 }
-
+#endif
 
 // Determine member names of a compound HDF5 datatype
 std::string dtype_member_names(hid_t dtype_id)

From bdc76d95fce06f3e94dea3afa9b8305309958179 Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erik.knudsen@copenhagenatomics.com>
Date: Fri, 16 Sep 2022 16:07:22 +0200
Subject: [PATCH 1124/2654] refactor MCPL file read part of FileSource

A new constructor is added to FileSource that reads from
a given MCPL-file.
---
 src/source.cpp | 73 ++++++++++++++++++++++++++++++++++++++++++++++++++
 1 file changed, 73 insertions(+)

diff --git a/src/source.cpp b/src/source.cpp
index e43f03929..cf584e12e 100644
--- a/src/source.cpp
+++ b/src/source.cpp
@@ -437,6 +437,79 @@ CustomSourceWrapper::~CustomSourceWrapper()
 }
 
 
+MCPLFileSource::~MCPLFileSource(){
+  mcpl_close_file(mcpl_file);
+}
+
+SourceSite MCPLFileSource::sample(uint64_t* seed) const
+{
+  size_t i_site = sites_.size() * prn(seed);
+  return sites_[i_site];
+}
+
+void MCPLFileSource::read_source_bank(vector<SourceSite> &sites_)
+{
+  sites_.resize(n_sites);
+  for (int i=0;i<n_sites;i++){
+    sites_[i]=read_single_particle();
+  }
+}
+
+SourceSite MCPLFileSource::read_single_particle() const
+{
+  SourceSite omc_particle_;
+  const mcpl_particle_t *mcpl_particle;
+  // extract particle from mcpl-file
+  mcpl_particle=mcpl_read(mcpl_file);
+  // check if it is a neutron, photon, electron, or positron. Otherwise skip.
+  int pdg=mcpl_particle->pdgcode;
+  while ( pdg!=2112 && pdg!=22 && pdg!=11 && pdg!=-11) {
+    mcpl_particle=mcpl_read(mcpl_file);
+    pdg=mcpl_particle->pdgcode;
+    //should check for file exhaustion. This could happen if particles are other than
+    //neutrons, photons, electrons, or positrons.
+  }
+
+  switch(pdg){
+    case 2112:
+      omc_particle_.particle=ParticleType::neutron;
+      break;
+    case 22:
+      omc_particle_.particle=ParticleType::photon;
+      break;
+    case 11:
+      omc_particle_.particle=ParticleType::electron;
+      break;
+    case -11:
+      omc_particle_.particle=ParticleType::positron;
+      break;
+  }
+
+  //particle is good, convert to openmc-formalism
+  omc_particle_.r.x=mcpl_particle->position[0];
+  omc_particle_.r.y=mcpl_particle->position[1];
+  omc_particle_.r.z=mcpl_particle->position[2];
+
+  omc_particle_.u.x=mcpl_particle->direction[0];
+  omc_particle_.u.y=mcpl_particle->direction[1];
+  omc_particle_.u.z=mcpl_particle->direction[2];
+
+  //mcpl stores kinetic energy in MeV
+  omc_particle_.E=mcpl_particle->ekin*1e6;
+  //mcpl stores time in ms
+  omc_particle_.time=mcpl_particle->time*1e-3;
+  omc_particle_.wgt=mcpl_particle->weight;
+  omc_particle_.delayed_group=0;
+  return omc_particle_;
+}
+#endif //OPENMC_MCPL
+=======
+>>>>>>> 380cfc150b449ef56debb5261caa010a52c42bdd
+=======
+#endif
+>>>>>>> 71568d4f4 (refactor MCPL file read part of FileSource)
+>>>>>>> 55f2be19e (refactor MCPL file read part of FileSource)
+
 //==============================================================================
 // Non-member functions
 //==============================================================================

From 6bceb7c30c05509823a7b0a6cb2e518d3a7ff5e4 Mon Sep 17 00:00:00 2001
From: erkn <erik@vonbrun.org>
Date: Tue, 6 Sep 2022 02:22:21 +0200
Subject: [PATCH 1125/2654] wip add MCPL-out to openmc

code for writing a source_bank/point compiles but is untested
---
 src/source.cpp      | 6 ------
 src/state_point.cpp | 1 +
 2 files changed, 1 insertion(+), 6 deletions(-)

diff --git a/src/source.cpp b/src/source.cpp
index cf584e12e..99ec3a74d 100644
--- a/src/source.cpp
+++ b/src/source.cpp
@@ -503,12 +503,6 @@ SourceSite MCPLFileSource::read_single_particle() const
   return omc_particle_;
 }
 #endif //OPENMC_MCPL
-=======
->>>>>>> 380cfc150b449ef56debb5261caa010a52c42bdd
-=======
-#endif
->>>>>>> 71568d4f4 (refactor MCPL file read part of FileSource)
->>>>>>> 55f2be19e (refactor MCPL file read part of FileSource)
 
 //==============================================================================
 // Non-member functions
diff --git a/src/state_point.cpp b/src/state_point.cpp
index 14a541128..1b133a121 100644
--- a/src/state_point.cpp
+++ b/src/state_point.cpp
@@ -643,6 +643,7 @@ void write_mcpl_source_point(const char *filename, bool surf_source_bank)
 }
 #endif
 
+
 void write_source_bank(hid_t group_id, bool surf_source_bank)
 {
   hid_t banktype = h5banktype();

From 56cddd25e2d8540da5356fbbe8f3bbde13ce11b5 Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erik.knudsen@copenhagenatomics.com>
Date: Tue, 4 Oct 2022 10:11:06 +0200
Subject: [PATCH 1126/2654] do not define these functions if no MCPL present

---
 src/state_point.cpp | 1 -
 1 file changed, 1 deletion(-)

diff --git a/src/state_point.cpp b/src/state_point.cpp
index 1b133a121..14a541128 100644
--- a/src/state_point.cpp
+++ b/src/state_point.cpp
@@ -643,7 +643,6 @@ void write_mcpl_source_point(const char *filename, bool surf_source_bank)
 }
 #endif
 
-
 void write_source_bank(hid_t group_id, bool surf_source_bank)
 {
   hid_t banktype = h5banktype();

From 3c33ec3b9fc513794e7e683620fbce99aedb9bcb Mon Sep 17 00:00:00 2001
From: erkn <erik@vonbrun.org>
Date: Tue, 9 Aug 2022 08:12:19 +0200
Subject: [PATCH 1127/2654] refactor MCPL file read part of FileSource

A new constructor is added to FileSource that reads from
a given MCPL-file.
---
 src/source.cpp | 67 --------------------------------------------------
 1 file changed, 67 deletions(-)

diff --git a/src/source.cpp b/src/source.cpp
index 99ec3a74d..e43f03929 100644
--- a/src/source.cpp
+++ b/src/source.cpp
@@ -437,73 +437,6 @@ CustomSourceWrapper::~CustomSourceWrapper()
 }
 
 
-MCPLFileSource::~MCPLFileSource(){
-  mcpl_close_file(mcpl_file);
-}
-
-SourceSite MCPLFileSource::sample(uint64_t* seed) const
-{
-  size_t i_site = sites_.size() * prn(seed);
-  return sites_[i_site];
-}
-
-void MCPLFileSource::read_source_bank(vector<SourceSite> &sites_)
-{
-  sites_.resize(n_sites);
-  for (int i=0;i<n_sites;i++){
-    sites_[i]=read_single_particle();
-  }
-}
-
-SourceSite MCPLFileSource::read_single_particle() const
-{
-  SourceSite omc_particle_;
-  const mcpl_particle_t *mcpl_particle;
-  // extract particle from mcpl-file
-  mcpl_particle=mcpl_read(mcpl_file);
-  // check if it is a neutron, photon, electron, or positron. Otherwise skip.
-  int pdg=mcpl_particle->pdgcode;
-  while ( pdg!=2112 && pdg!=22 && pdg!=11 && pdg!=-11) {
-    mcpl_particle=mcpl_read(mcpl_file);
-    pdg=mcpl_particle->pdgcode;
-    //should check for file exhaustion. This could happen if particles are other than
-    //neutrons, photons, electrons, or positrons.
-  }
-
-  switch(pdg){
-    case 2112:
-      omc_particle_.particle=ParticleType::neutron;
-      break;
-    case 22:
-      omc_particle_.particle=ParticleType::photon;
-      break;
-    case 11:
-      omc_particle_.particle=ParticleType::electron;
-      break;
-    case -11:
-      omc_particle_.particle=ParticleType::positron;
-      break;
-  }
-
-  //particle is good, convert to openmc-formalism
-  omc_particle_.r.x=mcpl_particle->position[0];
-  omc_particle_.r.y=mcpl_particle->position[1];
-  omc_particle_.r.z=mcpl_particle->position[2];
-
-  omc_particle_.u.x=mcpl_particle->direction[0];
-  omc_particle_.u.y=mcpl_particle->direction[1];
-  omc_particle_.u.z=mcpl_particle->direction[2];
-
-  //mcpl stores kinetic energy in MeV
-  omc_particle_.E=mcpl_particle->ekin*1e6;
-  //mcpl stores time in ms
-  omc_particle_.time=mcpl_particle->time*1e-3;
-  omc_particle_.wgt=mcpl_particle->weight;
-  omc_particle_.delayed_group=0;
-  return omc_particle_;
-}
-#endif //OPENMC_MCPL
-
 //==============================================================================
 // Non-member functions
 //==============================================================================

From 52cf6823e6c1df7dbcc30b0c860412dc124a18a3 Mon Sep 17 00:00:00 2001
From: erkn <erik@vonbrun.org>
Date: Tue, 6 Sep 2022 02:22:21 +0200
Subject: [PATCH 1128/2654] wip add MCPL-out to openmc

code for writing a source_bank/point compiles but is untested
---
 src/state_point.cpp | 1 +
 1 file changed, 1 insertion(+)

diff --git a/src/state_point.cpp b/src/state_point.cpp
index 14a541128..1b133a121 100644
--- a/src/state_point.cpp
+++ b/src/state_point.cpp
@@ -643,6 +643,7 @@ void write_mcpl_source_point(const char *filename, bool surf_source_bank)
 }
 #endif
 
+
 void write_source_bank(hid_t group_id, bool surf_source_bank)
 {
   hid_t banktype = h5banktype();

From 9d7105ebc7ff43d973f55d59a815d62be0a8ba5b Mon Sep 17 00:00:00 2001
From: erkn <erik@vonbrun.org>
Date: Tue, 6 Sep 2022 02:22:21 +0200
Subject: [PATCH 1129/2654] wip add MCPL-out to openmc

code for writing a source_bank/point compiles but is untested
---
 src/state_point.cpp | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/src/state_point.cpp b/src/state_point.cpp
index 1b133a121..c41c3dd53 100644
--- a/src/state_point.cpp
+++ b/src/state_point.cpp
@@ -603,6 +603,7 @@ void write_source_point(const char* filename, bool surf_source_bank)
     file_close(file_id);
 }
 
+
 #ifdef OPENMC_MCPL
 void write_mcpl_source_point(const char *filename, bool surf_source_bank)
 {
@@ -641,8 +642,8 @@ void write_mcpl_source_point(const char *filename, bool surf_source_bank)
   }
 
 }
-#endif
 
+#endif
 
 void write_source_bank(hid_t group_id, bool surf_source_bank)
 {

From cd9eb5b1b237bbd420b7c2eef93023d3e1f1e20b Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erik.knudsen@copenhagenatomics.com>
Date: Tue, 6 Sep 2022 23:06:19 +0200
Subject: [PATCH 1130/2654] add a trigger to simulation control

---
 src/simulation.cpp | 8 ++++----
 1 file changed, 4 insertions(+), 4 deletions(-)

diff --git a/src/simulation.cpp b/src/simulation.cpp
index fcb115849..7fda9d523 100644
--- a/src/simulation.cpp
+++ b/src/simulation.cpp
@@ -408,10 +408,10 @@ void finalize_batch()
     write_source_point(filename.c_str(), true);
   }
 
-  if(settings::surf_mcpl_write && simulation::current_batch == settings::n_batches){
-    auto filename = settings::path_output + ".mcpl";
-    write_mcpl_source_point(filename.c_str(), true);
-  }
+if(settings::surf_mcpl_write && simulation::current_batch == settings::n_batches){
+  auto filename = settings::path_output + ".mcpl";
+  write_mcpl_source_point(filename.c_str(), true);
+}
 
 
 }

From 8b783749341798cc9c8bc71d0ab374297824f1fc Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erkn@fysik.dtu.dk>
Date: Wed, 5 Oct 2022 10:59:28 +0200
Subject: [PATCH 1131/2654] fix typo

---
 src/simulation.cpp | 8 ++++----
 1 file changed, 4 insertions(+), 4 deletions(-)

diff --git a/src/simulation.cpp b/src/simulation.cpp
index 7fda9d523..fcb115849 100644
--- a/src/simulation.cpp
+++ b/src/simulation.cpp
@@ -408,10 +408,10 @@ void finalize_batch()
     write_source_point(filename.c_str(), true);
   }
 
-if(settings::surf_mcpl_write && simulation::current_batch == settings::n_batches){
-  auto filename = settings::path_output + ".mcpl";
-  write_mcpl_source_point(filename.c_str(), true);
-}
+  if(settings::surf_mcpl_write && simulation::current_batch == settings::n_batches){
+    auto filename = settings::path_output + ".mcpl";
+    write_mcpl_source_point(filename.c_str(), true);
+  }
 
 
 }

From 172fec23568ae6793c2b23c1b54e02c6b01483d7 Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erkn@fysik.dtu.dk>
Date: Wed, 5 Oct 2022 11:00:39 +0200
Subject: [PATCH 1132/2654] add cond. compilation guards for MCPL functions

---
 src/state_point.cpp | 2 --
 1 file changed, 2 deletions(-)

diff --git a/src/state_point.cpp b/src/state_point.cpp
index c41c3dd53..14a541128 100644
--- a/src/state_point.cpp
+++ b/src/state_point.cpp
@@ -603,7 +603,6 @@ void write_source_point(const char* filename, bool surf_source_bank)
     file_close(file_id);
 }
 
-
 #ifdef OPENMC_MCPL
 void write_mcpl_source_point(const char *filename, bool surf_source_bank)
 {
@@ -642,7 +641,6 @@ void write_mcpl_source_point(const char *filename, bool surf_source_bank)
   }
 
 }
-
 #endif
 
 void write_source_bank(hid_t group_id, bool surf_source_bank)

From 9065bdac3aeafe0d411c2d4a26ef873e39cb4c40 Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erik.knudsen@copenhagenatomics.com>
Date: Fri, 16 Sep 2022 16:07:22 +0200
Subject: [PATCH 1133/2654] refactor MCPL file read part of FileSource

A new constructor is added to FileSource that reads from
a given MCPL-file.
---
 src/source.cpp | 1 -
 1 file changed, 1 deletion(-)

diff --git a/src/source.cpp b/src/source.cpp
index e43f03929..3e1ddb3f3 100644
--- a/src/source.cpp
+++ b/src/source.cpp
@@ -436,7 +436,6 @@ CustomSourceWrapper::~CustomSourceWrapper()
 #endif
 }
 
-
 //==============================================================================
 // Non-member functions
 //==============================================================================

From 28cd0c5d3ae44a1ab3fe11f3ced08d6589530aa6 Mon Sep 17 00:00:00 2001
From: erkn <erik@vonbrun.org>
Date: Wed, 5 Oct 2022 14:31:05 +0200
Subject: [PATCH 1134/2654] fix misnamed variable and remove accientally
 committed code

---
 src/source.cpp | 17 +++++++++++++----
 1 file changed, 13 insertions(+), 4 deletions(-)

diff --git a/src/source.cpp b/src/source.cpp
index 3e1ddb3f3..d3037386b 100644
--- a/src/source.cpp
+++ b/src/source.cpp
@@ -350,10 +350,19 @@ FileSource::FileSource(mcpl_file_t mcpl_file)
       //neutrons or photons
     }
 
-    if(mcpl_particle->pdgcode==2112) {
-      site_.particle=ParticleType::neutron;
-    } else if (mcpl_particle->pdgcode==22) {
-      site_.particle=ParticleType::photon;
+    switch(pdg){
+      case 2112:
+        site_.particle=ParticleType::neutron;
+        break;
+      case 22:
+        site_.particle=ParticleType::photon;
+        break;
+      case 11:
+        site_.particle=ParticleType::electron;
+        break;
+      case -11:
+        site_.particle=ParticleType::positron;
+        break;
     }
 
     //particle is good, convert to openmc-formalism

From 6e523fa1f8ca0b6eef6a5e110fc7ceb86446d8f6 Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erkn@fysik.dtu.dk>
Date: Thu, 6 Oct 2022 01:33:21 +0200
Subject: [PATCH 1135/2654] must have a full filename

---
 src/simulation.cpp | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/src/simulation.cpp b/src/simulation.cpp
index fcb115849..82fce7c22 100644
--- a/src/simulation.cpp
+++ b/src/simulation.cpp
@@ -409,7 +409,7 @@ void finalize_batch()
   }
 
   if(settings::surf_mcpl_write && simulation::current_batch == settings::n_batches){
-    auto filename = settings::path_output + ".mcpl";
+    auto filename = settings::path_output + "surface_source.mcpl";
     write_mcpl_source_point(filename.c_str(), true);
   }
 

From 93a9270efcf0697db410c21d184b4e0d933da875 Mon Sep 17 00:00:00 2001
From: erkn <erik@vonbrun.org>
Date: Tue, 11 Oct 2022 00:46:32 +0200
Subject: [PATCH 1136/2654] fix malformed format string

---
 src/state_point.cpp | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/src/state_point.cpp b/src/state_point.cpp
index 14a541128..acae2e8d0 100644
--- a/src/state_point.cpp
+++ b/src/state_point.cpp
@@ -626,9 +626,9 @@ void write_mcpl_source_point(const char *filename, bool surf_source_bank)
     //write_attribute(file_id, "filetype", "source");
     //write header stuff (oopy in xml-files as binary blobs for instance))
     if (VERSION_DEV){
-      line=fmt::format("OpenMC {VERSION_MAJOR}.{VERSION_MINOR}.{VERSION_RELEASE}-development");
+      line=fmt::format("OpenMC {0}.{1}.{2}-development",VERSION_MAJOR,VERSION_MINOR,VERSION_RELEASE);
     } else {
-      line=fmt::format("OpenMC {VERSION_MAJOR}.{VERSION_MINOR}.{VERSION_RELEASE}");
+      line=fmt::format("OpenMC {0}.{1}.{2}",VERSION_MAJOR,VERSION_MINOR,VERSION_RELEASE);
     }
     mcpl_hdr_set_srcname(file_id,line.c_str());
   }

From 59a949de362f5133c43971636bcb71a557ae03e0 Mon Sep 17 00:00:00 2001
From: erkn <erik@vonbrun.org>
Date: Tue, 11 Oct 2022 00:48:44 +0200
Subject: [PATCH 1137/2654] fix typo causing unit length errors

---
 src/state_point.cpp | 4 +++-
 1 file changed, 3 insertions(+), 1 deletion(-)

diff --git a/src/state_point.cpp b/src/state_point.cpp
index acae2e8d0..fb915484b 100644
--- a/src/state_point.cpp
+++ b/src/state_point.cpp
@@ -803,9 +803,11 @@ void write_mcpl_source_bank(mcpl_outfile_t file_id, bool surf_source_bank)
         p.position[1]=_site->r.y;
         p.position[2]=_site->r.z;
 
+        //mcpl requires that the direction vector is unit length
+        //which is also the case in openmc
         p.direction[0]=_site->u.x;
         p.direction[1]=_site->u.y;
-        p.direction[2]=_site->u.x;
+        p.direction[2]=_site->u.z;
 
         //mcpl stores kinetic energy in MeV
         p.ekin=_site->E*1e-6;

From 7759028d803d052f220abbc00a876a1c33b00949 Mon Sep 17 00:00:00 2001
From: erkn <erik@vonbrun.org>
Date: Tue, 11 Oct 2022 02:00:33 +0200
Subject: [PATCH 1138/2654] enable mcpl surf_source_write in the python layer

---
 openmc/settings.py | 9 ++++++++-
 1 file changed, 8 insertions(+), 1 deletion(-)

diff --git a/openmc/settings.py b/openmc/settings.py
index ad5a9b28a..0937a3e48 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -171,6 +171,7 @@ class Settings:
                    banked (int)
         :max_particles: Maximum number of particles to be banked on
                    surfaces per process (int)
+        :mcpl: Output in the form of an MCPL-file (bool)
     survival_biasing : bool
         Indicate whether survival biasing is to be used
     tabular_legendre : dict
@@ -652,7 +653,7 @@ class Settings:
         cv.check_type('surface source writing options', surf_source_write, Mapping)
         for key, value in surf_source_write.items():
             cv.check_value('surface source writing key', key,
-                           ('surface_ids', 'max_particles'))
+                           ('surface_ids', 'max_particles', 'mcpl'))
             if key == 'surface_ids':
                 cv.check_type('surface ids for source banking', value,
                               Iterable, Integral)
@@ -664,6 +665,9 @@ class Settings:
                               value, Integral)
                 cv.check_greater_than('maximum particle banks on surfaces per process',
                                       value, 0)
+            elif key == 'mcpl':
+                cv.check_type('write to an MCPL-format file', value, bool)
+
         self._surf_source_write = surf_source_write
 
     @confidence_intervals.setter
@@ -1032,6 +1036,9 @@ class Settings:
             if 'max_particles' in self._surf_source_write:
                 subelement = ET.SubElement(element, "max_particles")
                 subelement.text = str(self._surf_source_write['max_particles'])
+            if 'mcpl' in self._surf_source_write:
+                subelement = ET.SubElement(element, "mcpl")
+                subelement.text = str(self._surf_source_write['mcpl']).lower()
 
     def _create_confidence_intervals(self, root):
         if self._confidence_intervals is not None:

From 94547f7c4b4128306a21a15d9adce1ac34d01c43 Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Tue, 11 Oct 2022 15:24:13 +0000
Subject: [PATCH 1139/2654] new type for centre_

---
 include/openmc/mesh.h | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/include/openmc/mesh.h b/include/openmc/mesh.h
index ea6b01aa6..8fdf62ecb 100644
--- a/include/openmc/mesh.h
+++ b/include/openmc/mesh.h
@@ -359,7 +359,7 @@ public:
   void to_hdf5(hid_t group) const override;
 
   array<vector<double>, 3> grid_;
-  vector<double> centre_;
+  array<double, 3> centre_;
 
 
   int set_grid();

From 15f45bcd1d7f6edf48c37213f0305803b41b584c Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Tue, 11 Oct 2022 15:29:10 +0000
Subject: [PATCH 1140/2654] substract before mapping

---
 src/mesh.cpp | 20 ++++++++++----------
 1 file changed, 10 insertions(+), 10 deletions(-)

diff --git a/src/mesh.cpp b/src/mesh.cpp
index c049549eb..36e4d5049 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -976,6 +976,11 @@ StructuredMesh::MeshIndex CylindricalMesh::get_indices(
 
   mapped_r[0] = std::hypot(r.x, r.y);
   mapped_r[2] = r[2];
+
+  mapped_r[0] += centre_[0];
+  mapped_r[1] += centre_[1];
+  mapped_r[2] += centre_[2];
+
   if (mapped_r[0] < FP_PRECISION) {
     mapped_r[1] = 0.0;
   } else {
@@ -984,11 +989,6 @@ StructuredMesh::MeshIndex CylindricalMesh::get_indices(
       mapped_r[1] += 2 * M_PI;
   }
 
-  // TODO: pass centre as argument 
-  mapped_r[0] += centre_[0];
-  mapped_r[1] += centre_[1];
-  mapped_r[2] += centre_[2];
-
   MeshIndex idx = StructuredMesh::get_indices(mapped_r, in_mesh);
 
   idx[1] = sanitize_phi(idx[1]);
@@ -1213,6 +1213,11 @@ StructuredMesh::MeshIndex SphericalMesh::get_indices(
   Position mapped_r;
 
   mapped_r[0] = r.norm();
+
+  mapped_r[0] += centre_[0];
+  mapped_r[1] += centre_[1];
+  mapped_r[2] += centre_[2];
+
   if (mapped_r[0] < FP_PRECISION) {
     mapped_r[1] = 0.0;
     mapped_r[2] = 0.0;
@@ -1223,11 +1228,6 @@ StructuredMesh::MeshIndex SphericalMesh::get_indices(
       mapped_r[2] += 2 * M_PI;
   }
 
-  // TODO: pass centre as argument 
-  mapped_r[0] += centre_[0];
-  mapped_r[1] += centre_[1];
-  mapped_r[2] += centre_[2];
-
   MeshIndex idx = StructuredMesh::get_indices(mapped_r, in_mesh);
 
   idx[1] = sanitize_theta(idx[1]);

From 27e3bb427a3cf991dfa7f14680e8098835251443 Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Tue, 11 Oct 2022 15:36:58 +0000
Subject: [PATCH 1141/2654] array<double, 3> for origin CylindricalMesh

---
 include/openmc/mesh.h | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/include/openmc/mesh.h b/include/openmc/mesh.h
index 8fdf62ecb..e6f5ce98b 100644
--- a/include/openmc/mesh.h
+++ b/include/openmc/mesh.h
@@ -415,7 +415,7 @@ public:
   void to_hdf5(hid_t group) const override;
 
   array<vector<double>, 3> grid_;
-  vector<double> centre_;
+  array<double, 3> centre_;
 
   int set_grid();
 

From 76fbdf7fbf627a177017853583c378192912d6b4 Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Tue, 11 Oct 2022 15:41:38 +0000
Subject: [PATCH 1142/2654] centre to origin

---
 include/openmc/mesh.h |  4 ++--
 openmc/mesh.py        | 52 +++++++++++++++++++++----------------------
 src/mesh.cpp          | 16 ++++++-------
 3 files changed, 36 insertions(+), 36 deletions(-)

diff --git a/include/openmc/mesh.h b/include/openmc/mesh.h
index e6f5ce98b..9a0b5d5b8 100644
--- a/include/openmc/mesh.h
+++ b/include/openmc/mesh.h
@@ -359,7 +359,7 @@ public:
   void to_hdf5(hid_t group) const override;
 
   array<vector<double>, 3> grid_;
-  array<double, 3> centre_;
+  array<double, 3> origin;
 
 
   int set_grid();
@@ -415,7 +415,7 @@ public:
   void to_hdf5(hid_t group) const override;
 
   array<vector<double>, 3> grid_;
-  array<double, 3> centre_;
+  array<double, 3> origin_;
 
   int set_grid();
 
diff --git a/openmc/mesh.py b/openmc/mesh.py
index f381d99b0..da00750c1 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -1052,7 +1052,7 @@ class CylindricalMesh(StructuredMesh):
         self._r_grid = None
         self._phi_grid = [0.0, 2*pi]
         self._z_grid = None
-        self._centre = [0., 0., 0.]
+        self._origin = [0., 0., 0.]
 
     @property
     def dimension(self):
@@ -1065,8 +1065,8 @@ class CylindricalMesh(StructuredMesh):
         return 3
 
     @property
-    def centre(self):
-        return self._centre
+    def origin(self):
+        return self._origin
 
     @property
     def r_grid(self):
@@ -1094,10 +1094,10 @@ class CylindricalMesh(StructuredMesh):
                 for p in range(1, np + 1)
                 for r in range(1, nr + 1))
 
-    @centre.setter
-    def centre(self, coords):
+    @origin.setter
+    def origin(self, coords):
         cv.check_type('mesh r_grid', coords, Iterable, Real)
-        self._centre = np.asarray(coords)
+        self._origin = np.asarray(coords)
 
     @r_grid.setter
     def r_grid(self, grid):
@@ -1240,8 +1240,8 @@ class CylindricalMesh(StructuredMesh):
         subelement = ET.SubElement(element, "z_grid")
         subelement.text = ' '.join(map(str, self.z_grid))
 
-        subelement = ET.SubElement(element, "centre")
-        subelement.text = ' '.join(map(str, self.centre))
+        subelement = ET.SubElement(element, "origin")
+        subelement.text = ' '.join(map(str, self.origin))
 
         return element
 
@@ -1266,7 +1266,7 @@ class CylindricalMesh(StructuredMesh):
         mesh.r_grid = [float(x) for x in get_text(elem, "r_grid").split()]
         mesh.phi_grid = [float(x) for x in get_text(elem, "phi_grid").split()]
         mesh.z_grid = [float(x) for x in get_text(elem, "z_grid").split()]
-        mesh.centre = [float(x) for x in get_text(elem, "centre").split()]
+        mesh.origin = [float(x) for x in get_text(elem, "origin").split()]
 
         return mesh
 
@@ -1321,10 +1321,10 @@ class CylindricalMesh(StructuredMesh):
         pts_cartesian[:, 0] = r * np.cos(phi)
         pts_cartesian[:, 1] = r * np.sin(phi)
 
-        # offset with centre
-        pts_cartesian[:, 0] = pts_cartesian[:, 0] + self.centre[0]
-        pts_cartesian[:, 1] = pts_cartesian[:, 1] + self.centre[1]
-        pts_cartesian[:, 2] = pts_cartesian[:, 2] + self.centre[2]
+        # offset with origin
+        pts_cartesian[:, 0] = pts_cartesian[:, 0] + self.origin[0]
+        pts_cartesian[:, 1] = pts_cartesian[:, 1] + self.origin[1]
+        pts_cartesian[:, 2] = pts_cartesian[:, 2] + self.origin[2]
 
         return super().write_data_to_vtk(
             points=pts_cartesian,
@@ -1374,7 +1374,7 @@ class SphericalMesh(StructuredMesh):
         self._r_grid = None
         self._theta_grid = [0, pi]
         self._phi_grid = [0, 2*pi]
-        self._centre = [0., 0., 0.]
+        self._origin = [0., 0., 0.]
 
     @property
     def dimension(self):
@@ -1387,8 +1387,8 @@ class SphericalMesh(StructuredMesh):
         return 3
 
     @property
-    def centre(self):
-        return self._centre
+    def origin(self):
+        return self._origin
 
     @property
     def r_grid(self):
@@ -1416,10 +1416,10 @@ class SphericalMesh(StructuredMesh):
                 for t in range(1, nt + 1)
                 for r in range(1, nr + 1))
 
-    @centre.setter
-    def centre(self, coords):
+    @origin.setter
+    def origin(self, coords):
         cv.check_type('mesh r_grid', coords, Iterable, Real)
-        self._centre = np.asarray(coords)
+        self._origin = np.asarray(coords)
 
     @r_grid.setter
     def r_grid(self, grid):
@@ -1492,8 +1492,8 @@ class SphericalMesh(StructuredMesh):
         subelement = ET.SubElement(element, "phi_grid")
         subelement.text = ' '.join(map(str, self.phi_grid))
 
-        subelement = ET.SubElement(element, "centre")
-        subelement.text = ' '.join(map(str, self.centre))
+        subelement = ET.SubElement(element, "origin")
+        subelement.text = ' '.join(map(str, self.origin))
 
         return element
 
@@ -1518,7 +1518,7 @@ class SphericalMesh(StructuredMesh):
         mesh.r_grid = [float(x) for x in get_text(elem, "r_grid").split()]
         mesh.theta_grid = [float(x) for x in get_text(elem, "theta_grid").split()]
         mesh.phi_grid = [float(x) for x in get_text(elem, "phi_grid").split()]
-        mesh.centre = [float(x) for x in get_text(elem, "centre").split()]
+        mesh.origin = [float(x) for x in get_text(elem, "origin").split()]
 
         return mesh
 
@@ -1575,10 +1575,10 @@ class SphericalMesh(StructuredMesh):
         pts_cartesian[:, 1] = r * np.sin(phi) * np.sin(theta)
         pts_cartesian[:, 2] = r * np.cos(phi)
 
-        # offset with centre
-        pts_cartesian[:, 0] = pts_cartesian[:, 0] + self.centre[0]
-        pts_cartesian[:, 1] = pts_cartesian[:, 1] + self.centre[1]
-        pts_cartesian[:, 2] = pts_cartesian[:, 2] + self.centre[2]
+        # offset with origin
+        pts_cartesian[:, 0] = pts_cartesian[:, 0] + self.origin[0]
+        pts_cartesian[:, 1] = pts_cartesian[:, 1] + self.origin[1]
+        pts_cartesian[:, 2] = pts_cartesian[:, 2] + self.origin[2]
 
         return super().write_data_to_vtk(
             points=pts_cartesian,
diff --git a/src/mesh.cpp b/src/mesh.cpp
index 36e4d5049..982b2e2dc 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -955,7 +955,7 @@ CylindricalMesh::CylindricalMesh(pugi::xml_node node) : StructuredMesh {node}
   grid_[0] = get_node_array<double>(node, "r_grid");
   grid_[1] = get_node_array<double>(node, "phi_grid");
   grid_[2] = get_node_array<double>(node, "z_grid");
-  centre_ = get_node_array<double>(node, "centre");
+  origin_ = get_node_array<double>(node, "origin");
 
   if (int err = set_grid()) {
     fatal_error(openmc_err_msg);
@@ -977,9 +977,9 @@ StructuredMesh::MeshIndex CylindricalMesh::get_indices(
   mapped_r[0] = std::hypot(r.x, r.y);
   mapped_r[2] = r[2];
 
-  mapped_r[0] += centre_[0];
-  mapped_r[1] += centre_[1];
-  mapped_r[2] += centre_[2];
+  mapped_r[0] += origin_[0];
+  mapped_r[1] += origin_[1];
+  mapped_r[2] += origin_[2];
 
   if (mapped_r[0] < FP_PRECISION) {
     mapped_r[1] = 0.0;
@@ -1193,7 +1193,7 @@ SphericalMesh::SphericalMesh(pugi::xml_node node) : StructuredMesh {node}
   grid_[0] = get_node_array<double>(node, "r_grid");
   grid_[1] = get_node_array<double>(node, "theta_grid");
   grid_[2] = get_node_array<double>(node, "phi_grid");
-  centre_ = get_node_array<double>(node, "centre");
+  origin_ = get_node_array<double>(node, "origin");
 
   if (int err = set_grid()) {
     fatal_error(openmc_err_msg);
@@ -1214,9 +1214,9 @@ StructuredMesh::MeshIndex SphericalMesh::get_indices(
 
   mapped_r[0] = r.norm();
 
-  mapped_r[0] += centre_[0];
-  mapped_r[1] += centre_[1];
-  mapped_r[2] += centre_[2];
+  mapped_r[0] += origin_[0];
+  mapped_r[1] += origin_[1];
+  mapped_r[2] += origin_[2];
 
   if (mapped_r[0] < FP_PRECISION) {
     mapped_r[1] = 0.0;

From b2d1729287c7174503c94e2b1cb5a39c2cb5a05e Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Tue, 11 Oct 2022 16:08:03 +0000
Subject: [PATCH 1143/2654] origin_ instead of origin

---
 include/openmc/mesh.h | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/include/openmc/mesh.h b/include/openmc/mesh.h
index 9a0b5d5b8..52f64701b 100644
--- a/include/openmc/mesh.h
+++ b/include/openmc/mesh.h
@@ -359,7 +359,7 @@ public:
   void to_hdf5(hid_t group) const override;
 
   array<vector<double>, 3> grid_;
-  array<double, 3> origin;
+  array<double, 3> origin_;
 
 
   int set_grid();

From adad6e7cd43a6d0a3e6ffd31f98bd7030158ee15 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Tue, 11 Oct 2022 11:21:31 -0500
Subject: [PATCH 1144/2654] Making origin type Positiong. Adding function to
 parse position from node.

---
 include/openmc/mesh.h          | 5 ++---
 include/openmc/xml_interface.h | 4 ++++
 src/mesh.cpp                   | 4 ++--
 src/xml_interface.cpp          | 7 +++++++
 4 files changed, 15 insertions(+), 5 deletions(-)

diff --git a/include/openmc/mesh.h b/include/openmc/mesh.h
index 9a0b5d5b8..c690dc4fe 100644
--- a/include/openmc/mesh.h
+++ b/include/openmc/mesh.h
@@ -359,8 +359,7 @@ public:
   void to_hdf5(hid_t group) const override;
 
   array<vector<double>, 3> grid_;
-  array<double, 3> origin;
-
+  Position origin_;
 
   int set_grid();
 
@@ -415,7 +414,7 @@ public:
   void to_hdf5(hid_t group) const override;
 
   array<vector<double>, 3> grid_;
-  array<double, 3> origin_;
+  Position origin_;
 
   int set_grid();
 
diff --git a/include/openmc/xml_interface.h b/include/openmc/xml_interface.h
index d96bb6cc2..bd6554c13 100644
--- a/include/openmc/xml_interface.h
+++ b/include/openmc/xml_interface.h
@@ -9,6 +9,7 @@
 #include "xtensor/xadapt.hpp"
 #include "xtensor/xarray.hpp"
 
+#include "openmc/position.h"
 #include "openmc/vector.h"
 
 namespace openmc {
@@ -49,5 +50,8 @@ xt::xarray<T> get_node_xarray(
   return xt::adapt(v, shape);
 }
 
+Position get_node_position(
+  pugi::xml_node node, const char* name, bool lowercase = false);
+
 } // namespace openmc
 #endif // OPENMC_XML_INTERFACE_H
diff --git a/src/mesh.cpp b/src/mesh.cpp
index 982b2e2dc..e9c185c8f 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -955,7 +955,7 @@ CylindricalMesh::CylindricalMesh(pugi::xml_node node) : StructuredMesh {node}
   grid_[0] = get_node_array<double>(node, "r_grid");
   grid_[1] = get_node_array<double>(node, "phi_grid");
   grid_[2] = get_node_array<double>(node, "z_grid");
-  origin_ = get_node_array<double>(node, "origin");
+  origin_ = get_node_position(node, "origin");
 
   if (int err = set_grid()) {
     fatal_error(openmc_err_msg);
@@ -1193,7 +1193,7 @@ SphericalMesh::SphericalMesh(pugi::xml_node node) : StructuredMesh {node}
   grid_[0] = get_node_array<double>(node, "r_grid");
   grid_[1] = get_node_array<double>(node, "theta_grid");
   grid_[2] = get_node_array<double>(node, "phi_grid");
-  origin_ = get_node_array<double>(node, "origin");
+  origin_ = get_node_position(node, "origin");
 
   if (int err = set_grid()) {
     fatal_error(openmc_err_msg);
diff --git a/src/xml_interface.cpp b/src/xml_interface.cpp
index cf3b981e5..6ce465baf 100644
--- a/src/xml_interface.cpp
+++ b/src/xml_interface.cpp
@@ -48,4 +48,11 @@ bool get_node_value_bool(pugi::xml_node node, const char* name)
   return false;
 }
 
+Position get_node_position(
+  pugi::xml_node node, const char* name, bool lowercase)
+{
+  vector<double> arr = get_node_array<double>(node, name, lowercase);
+  return Position(arr);
+}
+
 } // namespace openmc

From a97b202c2d5113795ff39ab95827fd61ecf3ba7f Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Tue, 11 Oct 2022 16:41:43 +0000
Subject: [PATCH 1145/2654] updated to_hdf5

---
 src/mesh.cpp | 2 ++
 1 file changed, 2 insertions(+)

diff --git a/src/mesh.cpp b/src/mesh.cpp
index e9c185c8f..57fe49ba6 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -1178,6 +1178,7 @@ void CylindricalMesh::to_hdf5(hid_t group) const
   write_dataset(mesh_group, "r_grid", grid_[0]);
   write_dataset(mesh_group, "phi_grid", grid_[1]);
   write_dataset(mesh_group, "z_grid", grid_[2]);
+  write_dataset(mesh_group, "origin", origin_);
 
   close_group(mesh_group);
 }
@@ -1447,6 +1448,7 @@ void SphericalMesh::to_hdf5(hid_t group) const
   write_dataset(mesh_group, "r_grid", grid_[0]);
   write_dataset(mesh_group, "theta_grid", grid_[1]);
   write_dataset(mesh_group, "phi_grid", grid_[2]);
+  write_dataset(mesh_group, "origin", origin_);
 
   close_group(mesh_group);
 }

From 3792c6fb70786638d39c88201fc248464c0bd905 Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Tue, 11 Oct 2022 17:11:54 +0000
Subject: [PATCH 1146/2654] fixed unit test

---
 tests/unit_tests/test_spherical_mesh.py | 8 ++++----
 1 file changed, 4 insertions(+), 4 deletions(-)

diff --git a/tests/unit_tests/test_spherical_mesh.py b/tests/unit_tests/test_spherical_mesh.py
index cdeb188ec..4d389a6bd 100644
--- a/tests/unit_tests/test_spherical_mesh.py
+++ b/tests/unit_tests/test_spherical_mesh.py
@@ -1,8 +1,8 @@
 import openmc
 import numpy as np
 
-def test_centre_read_write_to_xml():
-    """Tests that the centre attribute can be written and read back to XML
+def test_origin_read_write_to_xml():
+    """Tests that the origin attribute can be written and read back to XML
     """
     # build
     mesh = openmc.SphericalMesh()
@@ -10,7 +10,7 @@ def test_centre_read_write_to_xml():
     mesh.theta_grid = [1, 2, 3]
     mesh.r_grid = [1, 2, 3]
 
-    mesh.centre = [0.1, 0.2, 0.3]
+    mesh.origin = [0.1, 0.2, 0.3]
 
     tally = openmc.Tally()
 
@@ -27,4 +27,4 @@ def test_centre_read_write_to_xml():
     new_tallies = openmc.Tallies.from_xml()
     new_tally = new_tallies[0]
     new_mesh = new_tally.filters[0].mesh
-    assert np.allclose(new_mesh.centre, mesh.centre)
\ No newline at end of file
+    assert np.allclose(new_mesh.origin, mesh.origin)
\ No newline at end of file

From 48d75accdd3d8ddd80e560c56b64a49e3c7b21dd Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Tue, 11 Oct 2022 17:12:55 +0000
Subject: [PATCH 1147/2654] fixed cylindrical mesh test

---
 tests/unit_tests/test_cylindrical_mesh.py | 8 ++++----
 1 file changed, 4 insertions(+), 4 deletions(-)

diff --git a/tests/unit_tests/test_cylindrical_mesh.py b/tests/unit_tests/test_cylindrical_mesh.py
index 89322d704..952e8cf5a 100644
--- a/tests/unit_tests/test_cylindrical_mesh.py
+++ b/tests/unit_tests/test_cylindrical_mesh.py
@@ -1,8 +1,8 @@
 import openmc
 import numpy as np
 
-def test_centre_read_write_to_xml():
-    """Tests that the centre attribute can be written and read back to XML
+def test_origin_read_write_to_xml():
+    """Tests that the origin attribute can be written and read back to XML
     """
     # build
     mesh = openmc.CylindricalMesh()
@@ -10,7 +10,7 @@ def test_centre_read_write_to_xml():
     mesh.z_grid = [1, 2, 3]
     mesh.r_grid = [1, 2, 3]
 
-    mesh.centre = [0.1, 0.2, 0.3]
+    mesh.origin = [0.1, 0.2, 0.3]
 
     tally = openmc.Tally()
 
@@ -27,4 +27,4 @@ def test_centre_read_write_to_xml():
     new_tallies = openmc.Tallies.from_xml()
     new_tally = new_tallies[0]
     new_mesh = new_tally.filters[0].mesh
-    assert np.allclose(new_mesh.centre, mesh.centre)
\ No newline at end of file
+    assert np.allclose(new_mesh.origin, mesh.origin)
\ No newline at end of file

From c6b89feaef6fc8093fc012e0a4a426541c7d434d Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Tue, 11 Oct 2022 17:14:21 +0000
Subject: [PATCH 1148/2654] fixed gold standard

---
 tests/regression_tests/filter_mesh/inputs_true.dat | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/tests/regression_tests/filter_mesh/inputs_true.dat b/tests/regression_tests/filter_mesh/inputs_true.dat
index c42f3cd43..8b08a2a3c 100644
--- a/tests/regression_tests/filter_mesh/inputs_true.dat
+++ b/tests/regression_tests/filter_mesh/inputs_true.dat
@@ -57,13 +57,13 @@
     <r_grid>0.0 0.4411764705882353 0.8823529411764706 1.3235294117647058 1.7647058823529411 2.2058823529411766 2.6470588235294117 3.0882352941176467 3.5294117647058822 3.9705882352941178 4.411764705882353 4.852941176470588 5.294117647058823 5.735294117647059 6.1764705882352935 6.617647058823529 7.0588235294117645 7.5</r_grid>
     <phi_grid>0.0 0.3490658503988659 0.6981317007977318 1.0471975511965976 1.3962634015954636 1.7453292519943295 2.0943951023931953 2.443460952792061 2.792526803190927 3.141592653589793 3.490658503988659 3.839724354387525 4.1887902047863905 4.537856055185257 4.886921905584122 5.235987755982989 5.585053606381854 5.93411945678072 6.283185307179586</phi_grid>
     <z_grid>-7.5 -6.5625 -5.625 -4.6875 -3.75 -2.8125 -1.875 -0.9375 0.0 0.9375 1.875 2.8125 3.75 4.6875 5.625 6.5625 7.5</z_grid>
-    <centre>0.0 0.0 0.0</centre>
+    <origin>0.0 0.0 0.0</origin>
   </mesh>
   <mesh id="6" type="spherical">
     <r_grid>0.0 0.4411764705882353 0.8823529411764706 1.3235294117647058 1.7647058823529411 2.2058823529411766 2.6470588235294117 3.0882352941176467 3.5294117647058822 3.9705882352941178 4.411764705882353 4.852941176470588 5.294117647058823 5.735294117647059 6.1764705882352935 6.617647058823529 7.0588235294117645 7.5</r_grid>
     <theta_grid>0.0 0.39269908169872414 0.7853981633974483 1.1780972450961724 1.5707963267948966 1.9634954084936207 2.356194490192345 2.748893571891069 3.141592653589793</theta_grid>
     <phi_grid>0.0 0.3490658503988659 0.6981317007977318 1.0471975511965976 1.3962634015954636 1.7453292519943295 2.0943951023931953 2.443460952792061 2.792526803190927 3.141592653589793 3.490658503988659 3.839724354387525 4.1887902047863905 4.537856055185257 4.886921905584122 5.235987755982989 5.585053606381854 5.93411945678072 6.283185307179586</phi_grid>
-    <centre>0.0 0.0 0.0</centre>
+    <origin>0.0 0.0 0.0</origin>
   </mesh>
   <filter id="1" type="mesh">
     <bins>1</bins>

From 444a80012bf6d246842f133a89943ccf1004fd87 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Tue, 11 Oct 2022 23:38:13 -0500
Subject: [PATCH 1149/2654] Naming tally in activation unit test

---
 tests/unit_tests/test_deplete_activation.py | 5 +++--
 1 file changed, 3 insertions(+), 2 deletions(-)

diff --git a/tests/unit_tests/test_deplete_activation.py b/tests/unit_tests/test_deplete_activation.py
index 1842ad8ac..2dc911c86 100644
--- a/tests/unit_tests/test_deplete_activation.py
+++ b/tests/unit_tests/test_deplete_activation.py
@@ -33,7 +33,7 @@ def model():
     )
     model.settings.run_mode = 'fixed source'
 
-    rx_tally = openmc.Tally()
+    rx_tally = openmc.Tally(name='activation tally')
     rx_tally.scores = ['(n,gamma)']
     model.tallies.append(rx_tally)
 
@@ -53,7 +53,8 @@ def test_activation(run_in_tmpdir, model, reaction_rate_mode, reaction_rate_opts
     # Determine (n.gamma) reaction rate using initial run
     sp = model.run()
     with openmc.StatePoint(sp) as sp:
-        tally = sp.tallies[1]
+        print(sp.tallies)
+        tally = sp.get_tally(name='activation tally')
         capture_rate = tally.mean.flat[0]
 
     # Create one-nuclide depletion chain

From e3f1bdaca1f5144563c4ceac45f10e4b0b5b7963 Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erik.knudsen@copenhagenatomics.com>
Date: Wed, 12 Oct 2022 19:30:38 +0200
Subject: [PATCH 1150/2654] enable mcpl from the python layer

if the source filename ends with mcpl use that
---
 openmc/source.py | 5 ++++-
 1 file changed, 4 insertions(+), 1 deletion(-)

diff --git a/openmc/source.py b/openmc/source.py
index 48e14f6f7..fdb2d5bc2 100644
--- a/openmc/source.py
+++ b/openmc/source.py
@@ -223,7 +223,10 @@ class Source:
         if self.particle != 'neutron':
             element.set("particle", self.particle)
         if self.file is not None:
-            element.set("file", self.file)
+            if (self.file.endswith('.mcpl')):
+              element.set("mcpl", self.file)
+            else:
+              element.set("file", self.file)
         if self.library is not None:
             element.set("library", self.library)
         if self.parameters is not None:

From ca396268b586719df5638057b9161dbb2cdb048a Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erik.knudsen@copenhagenatomics.com>
Date: Wed, 12 Oct 2022 19:32:09 +0200
Subject: [PATCH 1151/2654] protect against compilation wo mcpl

---
 src/simulation.cpp | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/src/simulation.cpp b/src/simulation.cpp
index 82fce7c22..d90c33ffd 100644
--- a/src/simulation.cpp
+++ b/src/simulation.cpp
@@ -407,12 +407,12 @@ void finalize_batch()
     auto filename = settings::path_output + "surface_source.h5";
     write_source_point(filename.c_str(), true);
   }
-
+#ifdef OPENMC_MCPL
   if(settings::surf_mcpl_write && simulation::current_batch == settings::n_batches){
     auto filename = settings::path_output + "surface_source.mcpl";
     write_mcpl_source_point(filename.c_str(), true);
   }
-
+#endif
 
 }
 

From 94fb5f8fa6818f88c9fcf9007535a80846cb6c2d Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erik.knudsen@copenhagenatomics.com>
Date: Wed, 12 Oct 2022 19:32:40 +0200
Subject: [PATCH 1152/2654] enable MPI

mpi-nodes are gathered sequentially (as for h5)
---
 src/state_point.cpp | 28 +++++++++++++++++++++-------
 1 file changed, 21 insertions(+), 7 deletions(-)

diff --git a/src/state_point.cpp b/src/state_point.cpp
index fb915484b..983147c62 100644
--- a/src/state_point.cpp
+++ b/src/state_point.cpp
@@ -786,30 +786,40 @@ void write_mcpl_source_bank(mcpl_outfile_t file_id, bool surf_source_bank)
   }
 
   if (mpi::master) {
-    //write particles from the master node
+    // Particles are writeen to disk from the master node only
+
+    // Save source bank sites since the array is overwritten below
+#ifdef OPENMC_MPI
+    vector<SourceSite> temp_source {source_bank->begin(), source_bank->end()};
+#endif
+
     //loop over the other nodes and receive data - then write those.
     for (int i = 0; i < mpi::n_procs; ++i) {
+      // number of particles for node node i
+      size_t count[] {
+        static_cast<size_t>((*bank_index)[i + 1] - (*bank_index)[i])};
+
 #ifdef OPENMC_MPI
       if (i>0)
         MPI_Recv(source_bank->data(), count[0], mpi::source_site, i, i,
           mpi::intracomm, MPI_STATUS_IGNORE);
 #endif
-      //now write the source_banke data again.
+      // now write the source_bank data again.
       for (vector<SourceSite>::iterator _site=source_bank->begin(); _site!=source_bank->end();_site++){
-        //particle is now at the iterator
-        //write it to the mcpl-file
+        // particle is now at the iterator
+        // write it to the mcpl-file
         mcpl_particle_t p;
         p.position[0]=_site->r.x;
         p.position[1]=_site->r.y;
         p.position[2]=_site->r.z;
 
-        //mcpl requires that the direction vector is unit length
-        //which is also the case in openmc
+        // mcpl requires that the direction vector is unit length
+        // which is also the case in openmc
         p.direction[0]=_site->u.x;
         p.direction[1]=_site->u.y;
         p.direction[2]=_site->u.z;
 
-        //mcpl stores kinetic energy in MeV
+        // mcpl stores kinetic energy in MeV
         p.ekin=_site->E*1e-6;
 
         p.time=_site->time*1e3;
@@ -834,6 +844,10 @@ void write_mcpl_source_bank(mcpl_outfile_t file_id, bool surf_source_bank)
         mcpl_add_particle(file_id,&p);
       }
     }
+#ifdef OPENMC_MPI
+    // Restore state of source bank
+    std::copy(temp_source.begin(), temp_source.end(), source_bank->begin());
+#endif
   } else {
 #ifdef OPENMC_MPI
     MPI_Send(source_bank->data(), count_size, mpi::source_site, 0, mpi::rank,

From b0a300aedcd453b46f530547afbb6280c4b564f0 Mon Sep 17 00:00:00 2001
From: josh <josh@radiantnuclear.com>
Date: Thu, 13 Oct 2022 21:24:25 +0000
Subject: [PATCH 1153/2654] add to existing temp interp test, update doccs

---
 docs/source/io_formats/settings.rst  |   8 +-
 tests/unit_tests/test_temp_interp.py | 121 ++++++++++++++++++++++++---
 2 files changed, 113 insertions(+), 16 deletions(-)

diff --git a/docs/source/io_formats/settings.rst b/docs/source/io_formats/settings.rst
index 7a794bf00..1a29e00ee 100644
--- a/docs/source/io_formats/settings.rst
+++ b/docs/source/io_formats/settings.rst
@@ -875,10 +875,10 @@ cell temperature is 340 K and the tolerance is 15 K, then the closest
 temperature in the range of 325 K to 355 K will be used to evaluate cross
 sections. If the ``<temperature_method>`` is "interpolation", the tolerance
 specified applies to cell temperatures outside of the data bounds. For example,
-If a cell is specified at 695K, a tolerance of 15K and data only available at
-700K and 1000K, the cell's cross sections will be evaluated at 700K, since
-desired temperature of 695K is within the tolerance of the actual data despite
-not being bounded on both sides.
+if a cell is specified at 695K, a tolerance of 15K and data is only available
+at 700K and 1000K, the cell's cross sections will be evaluated at 700K, since
+the desired temperature of 695K is within the tolerance of the actual data
+despite not being bounded on both sides.
 
   *Default*: 10 K
 
diff --git a/tests/unit_tests/test_temp_interp.py b/tests/unit_tests/test_temp_interp.py
index f87d52961..c64ebe46a 100644
--- a/tests/unit_tests/test_temp_interp.py
+++ b/tests/unit_tests/test_temp_interp.py
@@ -86,6 +86,70 @@ def make_fake_cross_section():
     lib.export_to_xml('cross_sections_fake.xml')
 
 
+def fake_thermal_scattering():
+    """Create a fake thermal scattering library for U-235 at 294K and 600K
+    """
+    fake_tsl = openmc.data.ThermalScattering("c_U_fake", 1.9968, 4.9, [0.0253])
+    fake_tsl.nuclides = ['U235']
+
+    # Create elastic reaction
+    bragg_edges = [0.00370672, 0.00494229]
+    factors = [0.00375735, 0.01386287]
+    coherent_xs = openmc.data.CoherentElastic(bragg_edges, factors)
+    incoherent_xs_294 = openmc.data.Tabulated1D([0.00370672, 0.00370672], [0.00370672, 0.00370672])
+    elastic_xs_base = openmc.data.Sum((coherent_xs, incoherent_xs_294))
+    elastic_xs = {'294K': elastic_xs_base, '600K': elastic_xs_base}
+    coherent_dist = openmc.data.CoherentElasticAE(coherent_xs)
+    incoherent_dist_294 = openmc.data.IncoherentElasticAEDiscrete([
+        [-0.6, -0.18, 0.18, 0.6], [-0.6, -0.18, 0.18, 0.6]
+    ])
+    incoherent_dist_600 = openmc.data.IncoherentElasticAEDiscrete([
+        [-0.1, -0.2, 0.2, 0.1], [-0.1, -0.2, 0.2, 0.1]
+    ])
+    elastic_dist = {
+        '294K': openmc.data.MixedElasticAE(coherent_dist, incoherent_dist_294),
+        '600K': openmc.data.MixedElasticAE(coherent_dist, incoherent_dist_600)
+        }
+    fake_tsl.elastic = openmc.data.ThermalScatteringReaction(elastic_xs, elastic_dist)
+
+    # Create inelastic reaction
+    inelastic_xs = {
+        '294K': openmc.data.Tabulated1D([1.0e-5, 4.9], [13.4, 3.35]),
+        '600K': openmc.data.Tabulated1D([1.0e-2, 10], [1.4, 5])
+        }
+    breakpoints = [3]
+    interpolation = [2]
+    energy = [1.0e-5, 4.3e-2, 4.9]
+    energy_out = [
+        openmc.data.Tabular([0.0002, 0.067, 0.146, 0.366], [0.25, 0.25, 0.25, 0.25]),
+        openmc.data.Tabular([0.0001, 0.009, 0.137, 0.277], [0.25, 0.25, 0.25, 0.25]),
+        openmc.data.Tabular([0.0579, 4.555, 4.803, 4.874], [0.25, 0.25, 0.25, 0.25]),
+    ]
+    for eout in energy_out:
+        eout.normalize()
+        eout.c = eout.cdf()
+    discrete = openmc.stats.Discrete([-0.9, -0.6, -0.3, -0.1, 0.1, 0.3, 0.6, 0.9], [1/8]*8)
+    discrete.c = discrete.cdf()[1:]
+    mu = [[discrete]*4]*3
+    dist = openmc.data.IncoherentInelasticAE(
+        breakpoints, interpolation, energy, energy_out, mu)
+    inelastic_dist = {'294K': dist, '600K': dist}
+    inelastic = openmc.data.ThermalScatteringReaction(inelastic_xs, inelastic_dist)
+    fake_tsl.inelastic = inelastic
+
+    return fake_tsl
+
+
+def edit_fake_cross_sections():
+    """Edit the test cross sections xml to include fake thermal scattering data
+    """
+    lib = openmc.data.DataLibrary.from_xml("cross_sections_fake.xml")
+    c_U_fake = fake_thermal_scattering()
+    c_U_fake.export_to_hdf5("c_U_fake.h5")
+    lib.register_file("c_U_fake.h5")
+    lib.export_to_xml("cross_sections_fake.xml")
+
+
 @pytest.fixture(scope='module')
 def model(tmp_path_factory):
     tmp_path = tmp_path_factory.mktemp("temp_interp")
@@ -119,21 +183,23 @@ def model(tmp_path_factory):
 
 
 @pytest.mark.parametrize(
-    ["method", "temperature", "fission_expected"],
+    ["method", "temperature", "fission_expected", "tolerance"],
     [
-        ("nearest", 300.0, 0.5),
-        ("nearest", 600.0, 1.0),
-        ("nearest", 900.0, 0.5),
-        ("interpolation", 360.0, 0.6),
-        ("interpolation", 450.0, 0.75),
-        ("interpolation", 540.0, 0.9),
-        ("interpolation", 660.0, 0.9),
-        ("interpolation", 750.0, 0.75),
-        ("interpolation", 840.0, 0.6),
+        ("nearest", 300.0, 0.5, 10),
+        ("nearest", 600.0, 1.0, 10),
+        ("nearest", 900.0, 0.5, 10),
+        ("interpolation", 360.0, 0.6, 10),
+        ("interpolation", 450.0, 0.75, 10),
+        ("interpolation", 540.0, 0.9, 10),
+        ("interpolation", 660.0, 0.9, 10),
+        ("interpolation", 750.0, 0.75, 10),
+        ("interpolation", 840.0, 0.6, 10),
+        ("interpolation", 295.0, 0.5, 10),
+        ("interpolation", 990.0, 0.5, 100),
     ]
 )
-def test_interpolation(model, method, temperature, fission_expected):
-    model.settings.temperature = {'method': method, 'default': temperature}
+def test_interpolation(model, method, temperature, fission_expected, tolerance):
+    model.settings.temperature = {'method': method, 'default': temperature, "tolerance": tolerance}
     sp_filename = model.run()
     with openmc.StatePoint(sp_filename) as sp:
         t = sp.tallies[model.tallies[0].id]
@@ -152,3 +218,34 @@ def test_interpolation(model, method, temperature, fission_expected):
             assert k.n == pytest.approx(nu*fission_expected)
         else:
             assert abs(k.n - nu*fission_expected) <= 3*k.s
+
+
+def test_temperature_interpolation_tolerance(model):
+    """Test applying global and cell temperatures with thermal scattering libraries
+    """
+    edit_fake_cross_sections()
+    model.materials[0].add_s_alpha_beta("c_U_fake")
+
+    # Default k-effective, using the thermal scattering data's minimum available temperature
+    model.settings.temperature = {'method': "nearest", 'default': 294, "tolerance": 50}
+    sp_filename = model.run()
+    with openmc.StatePoint(sp_filename) as sp:
+        default_k = sp.keff.n
+
+    # Get k-effective with temperature below the minimum but in interpolation mode
+    model.settings.temperature = {'method': "interpolation", 'default': 255, "tolerance": 50}
+    sp_filename = model.run()
+    with openmc.StatePoint(sp_filename) as sp:
+        interpolated_k = sp.keff.n
+
+    # Get the k-effective with the temperature applied to the cell, instead of globally
+    model.settings.temperature = {'method': "interpolation", 'default': 500, "tolerance": 50}
+    for cell in model.geometry.get_all_cells().values():
+        cell.temperature = 275
+    sp_filename = model.run()
+    with openmc.StatePoint(sp_filename) as sp:
+        cell_k = sp.keff.n
+
+    # All calculated k-effectives should be equal
+    assert default_k == pytest.approx(interpolated_k)
+    assert interpolated_k == pytest.approx(cell_k)

From 81fa3b45a35595f4913845d5cc1a4580e173d0d7 Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erik.knudsen@copenhagenatomics.com>
Date: Thu, 13 Oct 2022 23:09:12 +0200
Subject: [PATCH 1154/2654] mcpl-file output simimlar to regular source output
 file

---
 include/openmc/settings.h |  1 +
 src/settings.cpp          |  1 +
 src/simulation.cpp        | 14 ++++++++++++++
 3 files changed, 16 insertions(+)

diff --git a/include/openmc/settings.h b/include/openmc/settings.h
index 66825867d..5b755784e 100644
--- a/include/openmc/settings.h
+++ b/include/openmc/settings.h
@@ -47,6 +47,7 @@ extern "C" bool run_CE;            //!< run with continuous-energy data?
 extern bool source_latest;         //!< write latest source at each batch?
 extern bool source_separate;       //!< write source to separate file?
 extern bool source_write;          //!< write source in HDF5 files?
+extern bool source_mcpl_write;     //!< write source in mcpl files?
 extern bool surf_source_write;     //!< write surface source file?
 extern bool surf_mcpl_write;       //!< write surface mcpl file?
 extern bool surf_source_read;      //!< read surface source file?
diff --git a/src/settings.cpp b/src/settings.cpp
index d1762596c..7aed383da 100644
--- a/src/settings.cpp
+++ b/src/settings.cpp
@@ -60,6 +60,7 @@ bool run_CE {true};
 bool source_latest {false};
 bool source_separate {false};
 bool source_write {true};
+bool source_mcpl_write {true};
 bool surf_source_write {false};
 bool surf_mcpl_write {false};
 bool surf_source_read {false};
diff --git a/src/simulation.cpp b/src/simulation.cpp
index d90c33ffd..70053a9a8 100644
--- a/src/simulation.cpp
+++ b/src/simulation.cpp
@@ -399,6 +399,20 @@ void finalize_batch()
       auto filename = settings::path_output + "source.h5";
       write_source_point(filename.c_str());
     }
+
+#ifdef OPENMC_MCPL
+    if (contains(settings::sourcepoint_batch, simulation::current_batch) &&
+        settings::source_mcpl_write && settings::source_separate) {
+      write_mcpl_source_point(nullptr);
+    }
+
+    // Write a continously-overwritten source point if requested.
+    if (settings::source_latest && setting::source_mcpl_write) {
+      auto filename = settings::path_output + "source.mcpl";
+      write_mcpl_source_point(filename.c_str());
+    }
+#endif
+
   }
 
   // Write out surface source if requested.

From 5da08f6b0e1aa687b242bab32facdd5f29cf0d9d Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erik.knudsen@copenhagenatomics.com>
Date: Fri, 14 Oct 2022 01:40:52 +0200
Subject: [PATCH 1155/2654] fix logic to avoid writing both kinds of source
 file

---
 src/settings.cpp   |  3 +++
 src/simulation.cpp | 43 +++++++++++++++++++++++--------------------
 2 files changed, 26 insertions(+), 20 deletions(-)

diff --git a/src/settings.cpp b/src/settings.cpp
index 7aed383da..9098eb620 100644
--- a/src/settings.cpp
+++ b/src/settings.cpp
@@ -654,6 +654,9 @@ void read_settings_xml()
     if (check_for_node(node_sp, "write")) {
       source_write = get_node_value_bool(node_sp, "write");
     }
+    if (check_for_node(node_sp, "mcpl")) {
+      source_write = get_node_value_bool(node_sp, "mcpl");
+    }
     if (check_for_node(node_sp, "overwrite_latest")) {
       source_latest = get_node_value_bool(node_sp, "overwrite_latest");
       source_separate = source_latest;
diff --git a/src/simulation.cpp b/src/simulation.cpp
index 70053a9a8..d7cc2237d 100644
--- a/src/simulation.cpp
+++ b/src/simulation.cpp
@@ -389,30 +389,33 @@ void finalize_batch()
 
   if (settings::run_mode == RunMode::EIGENVALUE) {
     // Write out a separate source point if it's been specified for this batch
-    if (contains(settings::sourcepoint_batch, simulation::current_batch) &&
-        settings::source_write && settings::source_separate) {
-      write_source_point(nullptr);
-    }
-
-    // Write a continously-overwritten source point if requested.
-    if (settings::source_latest) {
-      auto filename = settings::path_output + "source.h5";
-      write_source_point(filename.c_str());
-    }
-
 #ifdef OPENMC_MCPL
-    if (contains(settings::sourcepoint_batch, simulation::current_batch) &&
-        settings::source_mcpl_write && settings::source_separate) {
-      write_mcpl_source_point(nullptr);
-    }
+    if(! settings::source_mcpl_write) {
+#endif
+      if (contains(settings::sourcepoint_batch, simulation::current_batch) &&
+          settings::source_write && settings::source_separate) {
+        write_source_point(nullptr);
+      }
 
-    // Write a continously-overwritten source point if requested.
-    if (settings::source_latest && setting::source_mcpl_write) {
-      auto filename = settings::path_output + "source.mcpl";
-      write_mcpl_source_point(filename.c_str());
+      // Write a continously-overwritten source point if requested.
+      if (settings::source_latest) {
+        auto filename = settings::path_output + "source.h5";
+        write_source_point(filename.c_str());
+      }
+#ifdef OPENMC_MCPL
+    } else {
+      if (contains(settings::sourcepoint_batch, simulation::current_batch) &&
+            settings::source_mcpl_write && settings::source_separate) {
+          write_mcpl_source_point(nullptr);
+      }
+
+      // Write a continously-overwritten source point if requested.
+      if (settings::source_latest && settings::source_mcpl_write) {
+        auto filename = settings::path_output + "source.mcpl";
+        write_mcpl_source_point(filename.c_str());
+      }
     }
 #endif
-
   }
 
   // Write out surface source if requested.

From 344efa8de6454998dd55d00d6f213946d266cadf Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erik.knudsen@copenhagenatomics.com>
Date: Fri, 14 Oct 2022 01:41:21 +0200
Subject: [PATCH 1156/2654] don't compress by default

---
 src/state_point.cpp | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/src/state_point.cpp b/src/state_point.cpp
index 983147c62..d0fe92bdf 100644
--- a/src/state_point.cpp
+++ b/src/state_point.cpp
@@ -637,7 +637,7 @@ void write_mcpl_source_point(const char *filename, bool surf_source_bank)
 
   if (mpi::master) {
     //change this - this is h5 specific
-    mcpl_closeandgzip_outfile(file_id);
+    mcpl_close_outfile(file_id);
   }
 
 }

From 04edce7dc29543fe4e8f730f9ee516ae87c61195 Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erik.knudsen@copenhagenatomics.com>
Date: Fri, 14 Oct 2022 01:41:44 +0200
Subject: [PATCH 1157/2654] do read and write regression test

almost dientical to source_file reg. test
---
 .../source_mcpl_file/results_true.dat         |   2 +-
 .../source_mcpl_file/settings.xml             |   6 +-
 .../regression_tests/source_mcpl_file/test.py | 146 +++++++++++-------
 3 files changed, 97 insertions(+), 57 deletions(-)

diff --git a/tests/regression_tests/source_mcpl_file/results_true.dat b/tests/regression_tests/source_mcpl_file/results_true.dat
index f2209006a..19460623f 100644
--- a/tests/regression_tests/source_mcpl_file/results_true.dat
+++ b/tests/regression_tests/source_mcpl_file/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-3.017557E-01 3.398770E-03
+3.039964E-01 3.654869E-04
diff --git a/tests/regression_tests/source_mcpl_file/settings.xml b/tests/regression_tests/source_mcpl_file/settings.xml
index 8b1510e0c..47b010bff 100644
--- a/tests/regression_tests/source_mcpl_file/settings.xml
+++ b/tests/regression_tests/source_mcpl_file/settings.xml
@@ -1,11 +1,15 @@
 <?xml version="1.0"?>
 <settings>
+  <state_point batches="10" />
+  <source_point mcpl="true" separate="true" />
   <eigenvalue>
     <batches>10</batches>
     <inactive>5</inactive>
     <particles>1000</particles>
   </eigenvalue>
   <source>
-    <mcpl>source.10.mcpl</mcpl>
+    <space type="box">
+      <parameters>-4 -4 -4  4  4  4</parameters>
+    </space>
   </source>
 </settings>
diff --git a/tests/regression_tests/source_mcpl_file/test.py b/tests/regression_tests/source_mcpl_file/test.py
index f55a76904..a005fc2d8 100644
--- a/tests/regression_tests/source_mcpl_file/test.py
+++ b/tests/regression_tests/source_mcpl_file/test.py
@@ -1,65 +1,101 @@
-import os
-import subprocess
+#!/usr/bin/env python
+
 import glob
+import os
 
-from tests.testing_harness import TestHarness
+from tests.testing_harness import *
 
 
-class SourceMCPLFileTestHarness(TestHarness):
-  def execute_test(self):
-    """Run OpenMC with the appropriate arguments and check the outputs."""
-    try:
-      self._create_input()
-      self._test_input_created()
-      self._run_openmc()
-      self._test_output_created()
-      results = self._get_results()
-      self._write_results(results)
-      self._compare_results()
-    finally:
-      self._cleanup()
+settings1="""<?xml version="1.0"?>
+<settings>
+  <state_point batches="10" />
+  <source_point mcpl="true" separate="true" />
+  <eigenvalue>
+    <batches>10</batches>
+    <inactive>5</inactive>
+    <particles>1000</particles>
+  </eigenvalue>
+  <source>
+    <space type="box">
+      <parameters>-4 -4 -4  4  4  4</parameters>
+    </space>
+  </source>
+</settings>
+"""
 
-  def _create_input(self):
-    compiled=subprocess.run(['gcc','-o','gen_dummy_mcpl.out','gen_dummy_mcpl.c','-lm','-lmcpl'])
-    assert compiled==0, 'Could not compile mcpl-file generator code'
-    subprocess.run(['./gen_dummy_mcpl.out'])
+settings2 = """<?xml version="1.0"?>
+<settings>
+  <eigenvalue>
+    <batches>10</batches>
+    <inactive>5</inactive>
+    <particles>1000</particles>
+  </eigenvalue>
+  <source>
+    <mcpl> source.10.{0} </mcpl>
+  </source>
+</settings>
+"""
 
-  def update_results(self):
-    """Update the results_true using the current version of OpenMC."""
-    try:
-      self._create_input()
-      self._test_input_created()
-      self._run_openmc()
-      self._test_output_created()
-      results = self._get_results()
-      self._write_results(results)
-      self._overwrite_results()
-    finally:
-      self._cleanup()
 
-  def _test_input_created(self):
-    """Check that the input mcpl.file was generated as it should"""
-    mcplfile=glob.glob(os.path.join(os.getcwd(),'source.10.mcpl'))
-    assert len(mcplfile) == 1, 'Either multiple or no mcpl files ' \
-      'exist.'
-    assert mcplfile[0].endswith('mcpl'), \
-      'output file does not end with mcpl.'
+class SourceFileTestHarness(TestHarness):
+    def execute_test(self):
+        """Run OpenMC with the appropriate arguments and check the outputs."""
+        try:
+            self._run_openmc()
+            self._test_output_created()
+            self._run_openmc_restart()
+            results = self._get_results()
+            self._write_results(results)
+            self._compare_results()
+        finally:
+            self._cleanup()
 
-  def _test_output_created(self):
-    """Check that the output files were created"""
-    statepoint = glob.glob(os.path.join(os.getcwd(), self._sp_name))
-    assert len(statepoint) == 1, 'Either multiple or no statepoint files ' \
-      'exist.'
-    assert statepoint[0].endswith('h5'), \
-      'statepoint file does not end with h5.'
+    def update_results(self):
+        """Update the results_true using the current version of OpenMC."""
+        try:
+            self._run_openmc()
+            self._test_output_created()
+            self._run_openmc_restart()
+            results = self._get_results()
+            self._write_results(results)
+            self._overwrite_results()
+        finally:
+            self._cleanup()
 
-  def _cleanup(self):
-    super()._cleanup()
-    source_mcpl=glob.glob(os.path.join(os.getcwd(),'source*.mcpl'))
-    for f in source_mcpl:
-      if (os.path.exists(f)):
-        os.remove(f)
+    def _test_output_created(self):
+        """Make sure statepoint and source files have been created."""
+        statepoint = glob.glob(os.path.join(os.getcwd(), self._sp_name))
+        assert len(statepoint) == 1, 'Either multiple or no statepoint files ' \
+             'exist.'
+        assert statepoint[0].endswith('h5'), \
+             'Statepoint file is not a HDF5 file.'
 
-def test_mcpl_source_file():
-  harness = SourceMCPLFileTestHarness('source.10.mcpl')
-  harness.main()
+        source = glob.glob(os.path.join(os.getcwd(), 'source.10.mcpl*'))
+        assert len(source) == 1, 'Either multiple or no source files exist.'
+        assert source[0].endswith('mcpl') or source[0].endswith('mcpl.gz'), \
+             'Source file is not a MCPL file.'
+
+    def _run_openmc_restart(self):
+        # Get the name of the source file.
+        source = glob.glob(os.path.join(os.getcwd(), 'source.10.*'))
+
+        # Write the new settings.xml file.
+        with open('settings.xml','w') as fh:
+            fh.write(settings2.format(source[0].split('.')[-1]))
+
+        # Run OpenMC.
+        self._run_openmc()
+
+    def _cleanup(self):
+        TestHarness._cleanup(self)
+        output = glob.glob(os.path.join(os.getcwd(), 'source.*'))
+        #for f in output:
+        #    if os.path.exists(f):
+        #        os.remove(f)
+        with open('settings.xml','w') as fh:
+            fh.write(settings1)
+
+
+def test_source_file():
+    harness = SourceFileTestHarness('statepoint.10.h5')
+    harness.main()

From 7cb6883647b16227eb4bcdd26ab082734cca6459 Mon Sep 17 00:00:00 2001
From: josh <josh@radiantnuclear.com>
Date: Sun, 16 Oct 2022 03:57:11 +0000
Subject: [PATCH 1158/2654] output bounding temp for cell temp out of bounds

---
 src/cell.cpp | 12 ++++++------
 1 file changed, 6 insertions(+), 6 deletions(-)

diff --git a/src/cell.cpp b/src/cell.cpp
index d69f79a3e..30663e04d 100644
--- a/src/cell.cpp
+++ b/src/cell.cpp
@@ -334,12 +334,12 @@ double Cell::temperature(int32_t instance) const
 void Cell::set_temperature(double T, int32_t instance, bool set_contained)
 {
   if (settings::temperature_method == TemperatureMethod::INTERPOLATION) {
-    if (T < data::temperature_min - settings::temperature_tolerance) {
-      throw std::runtime_error {"Temperature is below minimum temperature at "
-                                "which data is available."};
-    } else if (T > data::temperature_max + settings::temperature_tolerance) {
-      throw std::runtime_error {"Temperature is above maximum temperature at "
-                                "which data is available."};
+    if (T < (data::temperature_min - settings::temperature_tolerance)) {
+      throw std::runtime_error {fmt::format("Temperature of {} K is below minimum temperature at "
+                                "which data is available of {} K.", T, data::temperature_min)};
+    } else if (T > (data::temperature_max + settings::temperature_tolerance)) {
+      throw std::runtime_error {fmt::format("Temperature of {} K is above maximum temperature at "
+                                "which data is available of {} K.", T, data::temperature_max)};
     }
   }
 

From 6c4554f1c7df48659dfd1f056fe1d7104043e9f0 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Sun, 16 Oct 2022 11:42:05 +0200
Subject: [PATCH 1159/2654] Add missing f prefix for an f-string

---
 openmc/data/decay.py | 4 +++-
 src/distribution.cpp | 2 +-
 2 files changed, 4 insertions(+), 2 deletions(-)

diff --git a/openmc/data/decay.py b/openmc/data/decay.py
index d7ededf33..bb27ccf4c 100644
--- a/openmc/data/decay.py
+++ b/openmc/data/decay.py
@@ -559,7 +559,9 @@ class Decay(EqualityMixin):
                     raise NotImplementedError("Multiple interpolation regions: {name}, {particle}")
                 interpolation = INTERPOLATION_SCHEME[f.interpolation[0]]
                 if interpolation not in ('histogram', 'linear-linear'):
-                    raise NotImplementedError("Continuous spectra with {interpolation} interpolation ({name}, {particle}) not supported")
+                    raise NotImplementedError(
+                        f"Continuous spectra with {interpolation} interpolation "
+                        f"({name}, {particle}) not supported")
 
                 intensity = spectra['continuous_normalization'].n
                 rates = decay_constant * intensity * f.y
diff --git a/src/distribution.cpp b/src/distribution.cpp
index 6bf51df6a..fc0297fec 100644
--- a/src/distribution.cpp
+++ b/src/distribution.cpp
@@ -179,7 +179,7 @@ Tabular::Tabular(pugi::xml_node node)
       interp_ = Interpolation::lin_lin;
     } else {
       openmc::fatal_error(
-        "Unknown interpolation type for distribution: " + temp);
+        "Unsupported interpolation type for distribution: " + temp);
     }
   } else {
     interp_ = Interpolation::histogram;

From 358e7b39181e8c6b51aad24a4d9a18e09119082b Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Sun, 16 Oct 2022 12:19:12 +0200
Subject: [PATCH 1160/2654] Change assert_sample_mean to use 4sigma CI

---
 tests/unit_tests/test_stats.py | 78 +++++++++++++---------------------
 1 file changed, 29 insertions(+), 49 deletions(-)

diff --git a/tests/unit_tests/test_stats.py b/tests/unit_tests/test_stats.py
index e752c004f..378e1fc0b 100644
--- a/tests/unit_tests/test_stats.py
+++ b/tests/unit_tests/test_stats.py
@@ -7,9 +7,12 @@ import openmc.stats
 
 
 def assert_sample_mean(samples, expected_mean):
-    std_dev = samples.std() / np.sqrt(samples.size)
-    assert np.abs(expected_mean - samples.mean()) < 3*std_dev
+    # Calculate sample standard deviation
+    std_dev = samples.std() / np.sqrt(samples.size - 1)
 
+    # Means should agree within 4 sigma 99.993% of the time. Note that this is
+    # expected to fail about 1 out of 16,000 times
+    assert np.abs(expected_mean - samples.mean()) < 4*std_dev
 
 
 def test_discrete():
@@ -40,9 +43,9 @@ def test_discrete():
     d3 = openmc.stats.Discrete(vals, probs)
 
     # sample discrete distribution and check that the mean of the samples is
-    # within 3 std. dev. of the expected mean
+    # within 4 std. dev. of the expected mean
     n_samples = 1_000_000
-    samples = d3.sample(n_samples, seed=100)
+    samples = d3.sample(n_samples)
     assert_sample_mean(samples, exp_mean)
 
 
@@ -86,11 +89,11 @@ def test_uniform():
     np.testing.assert_array_equal(t.p, [1/(b-a), 1/(b-a)])
     assert t.interpolation == 'histogram'
 
-    # Sample distribution and check that the mean of the samples is within 3
+    # Sample distribution and check that the mean of the samples is within 4
     # std. dev. of the expected mean
     exp_mean = 0.5 * (a + b)
     n_samples = 1_000_000
-    samples = d.sample(n_samples, seed=100)
+    samples = d.sample(n_samples)
     assert_sample_mean(samples, exp_mean)
 
 
@@ -105,12 +108,13 @@ def test_powerlaw():
     assert d.n == n
     assert len(d) == 3
 
-    exp_mean = 100.0 * (n+1) / (n+2)
+    # Determine mean of distribution
+    exp_mean = (n+1)*(b**(n+2) - a**(n+2))/((n+2)*(b**(n+1) - a**(n+1)))
 
     # sample power law distribution and check that the mean of the samples is
-    # within 3 std. dev. of the expected mean
+    # within 4 std. dev. of the expected mean
     n_samples = 1_000_000
-    samples = d.sample(n_samples, seed=100)
+    samples = d.sample(n_samples)
     assert_sample_mean(samples, exp_mean)
 
 
@@ -126,13 +130,13 @@ def test_maxwell():
     exp_mean = 3/2 * theta
 
     # sample maxwell distribution and check that the mean of the samples is
-    # within 3 std. dev. of the expected mean
+    # within 4 std. dev. of the expected mean
     n_samples = 1_000_000
-    samples = d.sample(n_samples, seed=100)
+    samples = d.sample(n_samples)
     assert_sample_mean(samples, exp_mean)
 
-    # A second sample with a different seed
-    samples_2 = d.sample(n_samples, seed=200)
+    # A second sample starting from a different seed
+    samples_2 = d.sample(n_samples)
     assert_sample_mean(samples_2, exp_mean)
     assert samples_2.mean() != samples.mean()
 
@@ -154,9 +158,9 @@ def test_watt():
     exp_mean = 3/2 * a + a**2 * b / 4
 
     # sample Watt distribution and check that the mean of the samples is within
-    # 3 std. dev. of the expected mean
+    # 4 std. dev. of the expected mean
     n_samples = 1_000_000
-    samples = d.sample(n_samples, seed=100)
+    samples = d.sample(n_samples)
     assert_sample_mean(samples, exp_mean)
 
 
@@ -176,28 +180,16 @@ def test_tabular():
     d = openmc.stats.Tabular(x, p)
 
     n_samples = 100_000
-    samples = d.sample(n_samples, seed=100)
-    diff = np.abs(samples - d.mean())
-    # within_1_sigma = np.count_nonzero(diff < samples.std())
-    # assert within_1_sigma / n_samples >= 0.68
-    within_2_sigma = np.count_nonzero(diff < 2*samples.std())
-    assert within_2_sigma / n_samples >= 0.95
-    within_3_sigma = np.count_nonzero(diff < 3*samples.std())
-    assert within_3_sigma / n_samples >= 0.99
+    samples = d.sample(n_samples)
+    assert_sample_mean(samples, d.mean())
 
     # test histogram sampling
     d = openmc.stats.Tabular(x, p, interpolation='histogram')
     d.normalize()
     assert d.integral() == pytest.approx(1.0)
 
-    samples = d.sample(n_samples, seed=100)
-    diff = np.abs(samples - d.mean())
-    # within_1_sigma = np.count_nonzero(diff < samples.std())
-    # assert within_1_sigma / n_samples >= 0.68
-    within_2_sigma = np.count_nonzero(diff < 2*samples.std())
-    assert within_2_sigma / n_samples >= 0.95
-    within_3_sigma = np.count_nonzero(diff < 3*samples.std())
-    assert within_3_sigma / n_samples >= 0.99
+    samples = d.sample(n_samples)
+    assert_sample_mean(samples, d.mean())
 
 
 def test_legendre():
@@ -361,15 +353,9 @@ def test_normal():
     assert len(d) == 2
 
     # sample normal distribution
-    n_samples = 10000
-    samples = d.sample(n_samples, seed=100)
-    samples = np.abs(samples - mean)
-    within_1_sigma = np.count_nonzero(samples < std_dev)
-    assert within_1_sigma / n_samples >= 0.68
-    within_2_sigma = np.count_nonzero(samples < 2*std_dev)
-    assert within_2_sigma / n_samples >= 0.95
-    within_3_sigma = np.count_nonzero(samples < 3*std_dev)
-    assert within_3_sigma / n_samples >= 0.99
+    n_samples = 100_000
+    samples = d.sample(n_samples)
+    assert_sample_mean(samples, mean)
 
 
 def test_muir():
@@ -386,15 +372,9 @@ def test_muir():
     assert isinstance(d, openmc.stats.Normal)
 
     # sample muir distribution
-    n_samples = 10000
-    samples = d.sample(n_samples, seed=100)
-    samples = np.abs(samples - mean)
-    within_1_sigma = np.count_nonzero(samples < d.std_dev)
-    assert within_1_sigma / n_samples >= 0.68
-    within_2_sigma = np.count_nonzero(samples < 2*d.std_dev)
-    assert within_2_sigma / n_samples >= 0.95
-    within_3_sigma = np.count_nonzero(samples < 3*d.std_dev)
-    assert within_3_sigma / n_samples >= 0.99
+    n_samples = 100_000
+    samples = d.sample(n_samples)
+    assert_sample_mean(samples, mean)
 
 
 def test_combine_distributions():

From de636b42a91c330311cc1474673f7fca5d8f3b42 Mon Sep 17 00:00:00 2001
From: shimwell <mail@jshimwell.com>
Date: Sun, 16 Oct 2022 13:14:46 +0100
Subject: [PATCH 1161/2654] py3.10 as main build matrix

---
 .github/workflows/ci.yml | 47 +++++++++++++++++++---------------------
 1 file changed, 22 insertions(+), 25 deletions(-)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index a165998d4..e267c0d8e 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -25,7 +25,7 @@ jobs:
     runs-on: ubuntu-20.04
     strategy:
       matrix:
-        python-version: [3.8]
+        python-version: ['3.10']
         mpi: [n, y]
         omp: [n, y]
         dagmc: [n]
@@ -34,38 +34,35 @@ jobs:
         vectfit: [n]
 
         include:
-          - python-version: 3.6
-            omp: n
-            mpi: n
           - python-version: 3.7
             omp: n
             mpi: n
-          - dagmc: y
-            python-version: 3.8
-            mpi: y
-            omp: y
-          - libmesh: y
-            python-version: 3.8
-            mpi: y
-            omp: y
-          - libmesh: y
-            python-version: 3.8
-            mpi: n
-            omp: y
-          - event: y
-            python-version: 3.8
-            omp: y
-            mpi: n
-          - vectfit: y
-            python-version: 3.8
+          - python-version: 3.8
             omp: n
-            mpi: y
+            mpi: n
           - python-version: 3.9
             omp: n
             mpi: n
-          - python-version: '3.10'
-            omp: n
+          - dagmc: y
+            python-version: '3.10'
+            mpi: y
+            omp: y
+          - libmesh: y
+            python-version: '3.10'
+            mpi: y
+            omp: y
+          - libmesh: y
+            python-version: '3.10'
             mpi: n
+            omp: y
+          - event: y
+            python-version: '3.10'
+            omp: y
+            mpi: n
+          - vectfit: y
+            python-version: '3.10'
+            omp: n
+            mpi: y
     name: "Python ${{ matrix.python-version }} (omp=${{ matrix.omp }},
       mpi=${{ matrix.mpi }}, dagmc=${{ matrix.dagmc }},
       libmesh=${{ matrix.libmesh }}, event=${{ matrix.event }}

From 0587aeeaa4bf834e89eb9309c4729f315d001f03 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 18 Oct 2022 11:58:24 -0500
Subject: [PATCH 1162/2654] Allow EnergyFunctionFilter interpolation to be set
 from C API

---
 include/openmc/capi.h                      |   3 +
 include/openmc/tallies/filter_energyfunc.h |   6 +-
 openmc/lib/filter.py                       |  26 ++++-
 src/tallies/filter_energyfunc.cpp          | 114 +++++++++++++++------
 tests/unit_tests/test_lib.py               |   5 +
 5 files changed, 119 insertions(+), 35 deletions(-)

diff --git a/include/openmc/capi.h b/include/openmc/capi.h
index 29e900965..ce58bed12 100644
--- a/include/openmc/capi.h
+++ b/include/openmc/capi.h
@@ -38,6 +38,9 @@ int openmc_energyfunc_filter_get_energy(
 int openmc_energyfunc_filter_get_y(int32_t index, size_t* n, const double** y);
 int openmc_energyfunc_filter_set_data(
   int32_t index, size_t n, const double* energies, const double* y);
+int openmc_energyfunc_filter_set_interpolation(
+  int32_t index, const char* interp);
+int openmc_energyfunc_filter_get_interpolation(int32_t index, int* interp);
 int openmc_extend_cells(int32_t n, int32_t* index_start, int32_t* index_end);
 int openmc_extend_filters(int32_t n, int32_t* index_start, int32_t* index_end);
 int openmc_extend_materials(
diff --git a/include/openmc/tallies/filter_energyfunc.h b/include/openmc/tallies/filter_energyfunc.h
index f650976ef..373fee8dd 100644
--- a/include/openmc/tallies/filter_energyfunc.h
+++ b/include/openmc/tallies/filter_energyfunc.h
@@ -40,8 +40,9 @@ public:
 
   const vector<double>& energy() const { return energy_; }
   const vector<double>& y() const { return y_; }
-  Interpolation interpolation_;
+  Interpolation interpolation() const { return interpolation_; }
   void set_data(gsl::span<const double> energy, gsl::span<const double> y);
+  void set_interpolation(const std::string& interpolation);
 
 private:
   //----------------------------------------------------------------------------
@@ -52,6 +53,9 @@ private:
 
   //! Interpolant values.
   vector<double> y_;
+
+  //! Interpolation scheme
+  Interpolation interpolation_ {Interpolation::lin_lin};
 };
 
 } // namespace openmc
diff --git a/openmc/lib/filter.py b/openmc/lib/filter.py
index 5d2231cc2..04da92459 100644
--- a/openmc/lib/filter.py
+++ b/openmc/lib/filter.py
@@ -7,6 +7,7 @@ import numpy as np
 from numpy.ctypeslib import as_array
 
 from openmc.exceptions import AllocationError, InvalidIDError
+from openmc.data.function import INTERPOLATION_SCHEME
 from . import _dll
 from .core import _FortranObjectWithID
 from .error import _error_handler
@@ -16,9 +17,9 @@ from .mesh import _get_mesh
 
 __all__ = [
     'Filter', 'AzimuthalFilter', 'CellFilter', 'CellbornFilter', 'CellfromFilter',
-    'CellInstanceFilter', 'CollisionFilter', 'DistribcellFilter', 'DelayedGroupFilter', 
-    'EnergyFilter', 'EnergyoutFilter', 'EnergyFunctionFilter', 'LegendreFilter', 
-    'MaterialFilter', 'MeshFilter', 'MeshSurfaceFilter', 'MuFilter', 'ParticleFilter', 
+    'CellInstanceFilter', 'CollisionFilter', 'DistribcellFilter', 'DelayedGroupFilter',
+    'EnergyFilter', 'EnergyoutFilter', 'EnergyFunctionFilter', 'LegendreFilter',
+    'MaterialFilter', 'MeshFilter', 'MeshSurfaceFilter', 'MuFilter', 'ParticleFilter',
     'PolarFilter', 'SphericalHarmonicsFilter', 'SpatialLegendreFilter', 'SurfaceFilter',
     'UniverseFilter', 'ZernikeFilter', 'ZernikeRadialFilter', 'filters'
 ]
@@ -47,6 +48,12 @@ _dll.openmc_energyfunc_filter_get_y.resttpe = c_int
 _dll.openmc_energyfunc_filter_get_y.errcheck = _error_handler
 _dll.openmc_energyfunc_filter_get_y.argtypes = [
     c_int32, POINTER(c_size_t), POINTER(POINTER(c_double))]
+_dll.openmc_energyfunc_filter_get_interpolation.resttpe = c_int
+_dll.openmc_energyfunc_filter_get_interpolation.errcheck = _error_handler
+_dll.openmc_energyfunc_filter_get_interpolation.argtypes = [c_int32, POINTER(c_int)]
+_dll.openmc_energyfunc_filter_set_interpolation.resttpe = c_int
+_dll.openmc_energyfunc_filter_set_interpolation.errcheck = _error_handler
+_dll.openmc_energyfunc_filter_set_interpolation.argtypes = [c_int32, c_char_p]
 _dll.openmc_filter_get_id.argtypes = [c_int32, POINTER(c_int32)]
 _dll.openmc_filter_get_id.restype = c_int
 _dll.openmc_filter_get_id.errcheck = _error_handler
@@ -247,6 +254,8 @@ class EnergyFunctionFilter(Filter):
             Independent variable for the interpolation
         y : numpy.ndarray
             Dependent variable for the interpolation
+        interpolation : {'histogram', 'linear-linear', 'linear-log', 'log-linear', 'log-log', 'quadratic', 'cubic'}
+            Interpolation scheme
         """
         energy_array = np.asarray(energy)
         y_array = np.asarray(y)
@@ -264,6 +273,17 @@ class EnergyFunctionFilter(Filter):
     def y(self):
         return self._get_attr(_dll.openmc_energyfunc_filter_get_y)
 
+    @property
+    def interpolation(self) -> str:
+        interp = c_int()
+        _dll.openmc_energyfunc_filter_get_interpolation(self._index, interp)
+        return INTERPOLATION_SCHEME[interp.value]
+
+    @interpolation.setter
+    def interpolation(self, interp: str):
+        interp_ptr = c_char_p(interp.encode())
+        _dll.openmc_energyfunc_filter_set_interpolation(self._index, interp_ptr)
+
     def _get_attr(self, cfunc):
         array_p = POINTER(c_double)()
         n = c_size_t()
diff --git a/src/tallies/filter_energyfunc.cpp b/src/tallies/filter_energyfunc.cpp
index b961105a2..93ae24b2a 100644
--- a/src/tallies/filter_energyfunc.cpp
+++ b/src/tallies/filter_energyfunc.cpp
@@ -25,42 +25,14 @@ void EnergyFunctionFilter::from_xml(pugi::xml_node node)
     fatal_error("y values not specified for EnergyFunction filter.");
 
   auto y = get_node_array<double>(node, "y");
+  this->set_data(energy, y);
 
   // default to linear-linear interpolation
   interpolation_ = Interpolation::lin_lin;
   if (check_for_node(node, "interpolation")) {
     std::string interpolation = get_node_value(node, "interpolation");
-    if (interpolation == "histogram") {
-      interpolation_ = Interpolation::histogram;
-    } else if (interpolation == "linear-linear") {
-      interpolation_ = Interpolation::lin_lin;
-    } else if (interpolation == "linear-log") {
-      interpolation_ = Interpolation::lin_log;
-    } else if (interpolation == "log-linear") {
-      interpolation_ = Interpolation::log_lin;
-    } else if (interpolation == "log-log") {
-      interpolation_ = Interpolation::log_log;
-    } else if (interpolation == "quadratic") {
-      if (energy.size() < 3)
-        fatal_error(
-          fmt::format("Quadratic interpolation on EnergyFunctionFilter {} "
-                      "requires at least 3 data points.",
-            id()));
-      interpolation_ = Interpolation::quadratic;
-    } else if (interpolation == "cubic") {
-      if (energy.size() < 4)
-        fatal_error(fmt::format("Cubic interpolation on EnergyFunctionFilter "
-                                "{} requires at least 4 data points.",
-          id()));
-      interpolation_ = Interpolation::cubic;
-    } else {
-      fatal_error(fmt::format(
-        "Found invalid interpolation type '{}' on EnergyFunctionFilter {}.",
-        interpolation, id()));
-    }
+    this->set_interpolation(interpolation);
   }
-
-  this->set_data(energy, y);
 }
 
 void EnergyFunctionFilter::set_data(
@@ -86,6 +58,38 @@ void EnergyFunctionFilter::set_data(
   }
 }
 
+void EnergyFunctionFilter::set_interpolation(const std::string& interpolation)
+{
+  if (interpolation == "histogram") {
+    interpolation_ = Interpolation::histogram;
+  } else if (interpolation == "linear-linear") {
+    interpolation_ = Interpolation::lin_lin;
+  } else if (interpolation == "linear-log") {
+    interpolation_ = Interpolation::lin_log;
+  } else if (interpolation == "log-linear") {
+    interpolation_ = Interpolation::log_lin;
+  } else if (interpolation == "log-log") {
+    interpolation_ = Interpolation::log_log;
+  } else if (interpolation == "quadratic") {
+    if (energy_.size() < 3)
+      fatal_error(
+        fmt::format("Quadratic interpolation on EnergyFunctionFilter {} "
+                    "requires at least 3 data points.",
+          this->id()));
+    interpolation_ = Interpolation::quadratic;
+  } else if (interpolation == "cubic") {
+    if (energy_.size() < 4)
+      fatal_error(fmt::format("Cubic interpolation on EnergyFunctionFilter "
+                              "{} requires at least 4 data points.",
+        this->id()));
+    interpolation_ = Interpolation::cubic;
+  } else {
+    fatal_error(fmt::format(
+      "Found invalid interpolation type '{}' on EnergyFunctionFilter {}.",
+      interpolation, this->id()));
+  }
+}
+
 void EnergyFunctionFilter::get_all_bins(
   const Particle& p, TallyEstimator estimator, FilterMatch& match) const
 {
@@ -105,7 +109,8 @@ void EnergyFunctionFilter::to_statepoint(hid_t filter_group) const
   write_dataset(filter_group, "energy", energy_);
   write_dataset(filter_group, "y", y_);
   hid_t y_dataset = open_dataset(filter_group, "y");
-  write_attribute<int>(y_dataset, "interpolation", static_cast<int>(interpolation_));
+  write_attribute<int>(
+    y_dataset, "interpolation", static_cast<int>(interpolation_));
   close_dataset(y_dataset);
 }
 
@@ -189,4 +194,51 @@ extern "C" int openmc_energyfunc_filter_get_y(
   return 0;
 }
 
+extern "C" int openmc_energyfunc_filter_set_interpolation(
+  int32_t index, const char* interp)
+{
+  // ensure this is a valid index to allocated filter
+  if (int err = verify_filter(index))
+    return err;
+
+  // get a pointer to the filter
+  const auto& filt_base = model::tally_filters[index].get();
+  // downcast to EnergyFunctionFilter
+  auto* filt = dynamic_cast<EnergyFunctionFilter*>(filt_base);
+
+  // check if a valid filter was produced
+  if (!filt) {
+    set_errmsg(
+      "Tried to set interpolation data for non-energy function filter.");
+    return OPENMC_E_INVALID_TYPE;
+  }
+
+  // Set interpolation
+  filt->set_interpolation(interp);
+  return 0;
+}
+
+extern "C" int openmc_energyfunc_filter_get_interpolation(
+  int32_t index, int* interp)
+{
+  // ensure this is a valid index to allocated filter
+  if (int err = verify_filter(index))
+    return err;
+
+  // get a pointer to the filter
+  const auto& filt_base = model::tally_filters[index].get();
+  // downcast to EnergyFunctionFilter
+  auto* filt = dynamic_cast<EnergyFunctionFilter*>(filt_base);
+
+  // check if a valid filter was produced
+  if (!filt) {
+    set_errmsg(
+      "Tried to set interpolation data for non-energy function filter.");
+    return OPENMC_E_INVALID_TYPE;
+  }
+
+  *interp = static_cast<int>(filt->interpolation());
+  return 0;
+}
+
 } // namespace openmc
diff --git a/tests/unit_tests/test_lib.py b/tests/unit_tests/test_lib.py
index 5063646f7..0633ceb18 100644
--- a/tests/unit_tests/test_lib.py
+++ b/tests/unit_tests/test_lib.py
@@ -283,6 +283,11 @@ def test_energy_function_filter(lib_init):
     assert len(efunc.y) == 2
     assert (efunc.y == [0.0, 2.0]).all()
 
+    # Default should be lin-lin
+    assert efunc.interpolation == 'linear-linear'
+    efunc.interpolation = 'histogram'
+    assert efunc.interpolation == 'histogram'
+
 
 def test_tally(lib_init):
     t = openmc.lib.tallies[1]

From 2ae5ccb031c481d4e97c40c843186396c0fd8ffc Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 18 Oct 2022 12:02:02 -0500
Subject: [PATCH 1163/2654] Fix EnergyFunctionFilter.from_xml_element

---
 openmc/filter.py                 |  2 +-
 tests/unit_tests/test_filters.py | 15 +++++++++++++++
 2 files changed, 16 insertions(+), 1 deletion(-)

diff --git a/openmc/filter.py b/openmc/filter.py
index d83b9f6ba..d6571cd5a 100644
--- a/openmc/filter.py
+++ b/openmc/filter.py
@@ -2095,7 +2095,7 @@ class EnergyFunctionFilter(Filter):
         y = [float(x) for x in get_text(elem, 'y').split()]
         out = cls(energy, y, filter_id=filter_id)
         if elem.find('interpolation') is not None:
-            out.interpolation = elem.find('interpolation')
+            out.interpolation = elem.find('interpolation').text
         return out
 
     def can_merge(self, other):
diff --git a/tests/unit_tests/test_filters.py b/tests/unit_tests/test_filters.py
index a20b129e9..8a6f095ef 100644
--- a/tests/unit_tests/test_filters.py
+++ b/tests/unit_tests/test_filters.py
@@ -254,3 +254,18 @@ def test_lethargy_bin_width():
     energy_bins = openmc.mgxs.GROUP_STRUCTURES['VITAMIN-J-175']
     assert f.lethargy_bin_width[0] == np.log10(energy_bins[1]/energy_bins[0])
     assert f.lethargy_bin_width[-1] == np.log10(energy_bins[-1]/energy_bins[-2])
+
+
+def test_energyfunc():
+    f = openmc.EnergyFunctionFilter(
+        [0.0, 10.0, 2.0e3, 1.0e6, 20.0e6],
+        [1.0, 0.9, 0.8, 0.7, 0.6],
+        'histogram'
+    )
+
+    # Make sure XML roundtrip works
+    elem = f.to_xml_element()
+    new_f = openmc.EnergyFunctionFilter.from_xml_element(elem)
+    np.testing.assert_allclose(f.energy, new_f.energy)
+    np.testing.assert_allclose(f.y, new_f.y)
+    assert f.interpolation == new_f.interpolation

From 1814f826c9ec1e621374457886ed7900d82b27ce Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 18 Oct 2022 12:02:22 -0500
Subject: [PATCH 1164/2654] Remove deprecated cylinder_from_points name in docs

---
 docs/source/pythonapi/model.rst | 1 -
 1 file changed, 1 deletion(-)

diff --git a/docs/source/pythonapi/model.rst b/docs/source/pythonapi/model.rst
index 5dd3d3293..636935c6b 100644
--- a/docs/source/pythonapi/model.rst
+++ b/docs/source/pythonapi/model.rst
@@ -11,7 +11,6 @@ Convenience Functions
    :template: myfunction.rst
 
    openmc.model.borated_water
-   openmc.model.cylinder_from_points
    openmc.model.hexagonal_prism
    openmc.model.rectangular_prism
    openmc.model.subdivide

From b7cbd59a13f36eae6fae7ce94fc41a5a2dd6c720 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Wed, 19 Oct 2022 13:02:07 -0500
Subject: [PATCH 1165/2654] Changing types to mitigate overflow problems

---
 src/volume_calc.cpp | 6 +++---
 1 file changed, 3 insertions(+), 3 deletions(-)

diff --git a/src/volume_calc.cpp b/src/volume_calc.cpp
index 3ae98fdc3..002171d49 100644
--- a/src/volume_calc.cpp
+++ b/src/volume_calc.cpp
@@ -99,9 +99,9 @@ vector<VolumeCalculation::Result> VolumeCalculation::execute() const
 {
   // Shared data that is collected from all threads
   int n = domain_ids_.size();
-  vector<vector<int>> master_indices(
+  vector<vector<int32_t>> master_indices(
     n); // List of material indices for each domain
-  vector<vector<int>> master_hits(
+  vector<vector<size_t>> master_hits(
     n); // Number of hits for each material in each domain
   int iterations = 0;
 
@@ -281,7 +281,7 @@ vector<VolumeCalculation::Result> VolumeCalculation::execute() const
 #endif
 
       if (mpi::master) {
-        int total_hits = 0;
+        size_t total_hits = 0;
         for (int j = 0; j < master_indices[i_domain].size(); ++j) {
           total_hits += master_hits[i_domain][j];
           double f =

From e64fb4cd41d059b56df055525b313ebf4a45fcd5 Mon Sep 17 00:00:00 2001
From: Ethan Peterson <ethan.peterson@mit.edu>
Date: Wed, 19 Oct 2022 14:16:52 -0400
Subject: [PATCH 1166/2654] added volume read and write to xml

---
 openmc/cell.py | 6 ++++++
 1 file changed, 6 insertions(+)

diff --git a/openmc/cell.py b/openmc/cell.py
index 4b419e1c6..0cea73b32 100644
--- a/openmc/cell.py
+++ b/openmc/cell.py
@@ -634,6 +634,9 @@ class Cell(IDManagerMixin):
         if self.rotation is not None:
             element.set("rotation", ' '.join(map(str, self.rotation.ravel())))
 
+        if self.volume is not None:
+            element.set("volume", str(self.volume))
+
         return element
 
     @classmethod
@@ -687,6 +690,9 @@ class Cell(IDManagerMixin):
                 c.temperature = [float(t_i) for t_i in t.split()]
             else:
                 c.temperature = float(t)
+        v = get_text(elem, 'volume')
+        if v is not None:
+            c.volume = float(v)
         for key in ('temperature', 'rotation', 'translation'):
             value = get_text(elem, key)
             if value is not None:

From 2a802a11a4dd7b08b15c0851927f9439c6faf892 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Wed, 19 Oct 2022 13:23:26 -0500
Subject: [PATCH 1167/2654] Add warning of possible overflow.

---
 include/openmc/constants.h | 5 +++++
 src/volume_calc.cpp        | 7 +++++++
 2 files changed, 12 insertions(+)

diff --git a/include/openmc/constants.h b/include/openmc/constants.h
index fa2251b84..eadff1726 100644
--- a/include/openmc/constants.h
+++ b/include/openmc/constants.h
@@ -339,6 +339,11 @@ enum class RunMode {
 
 enum class GeometryType { CSG, DAG };
 
+//==============================================================================
+// Volume Calculation Constants
+
+constexpr size_t SIZE_T_MAX {std::numeric_limits<size_t>::max()};
+
 } // namespace openmc
 
 #endif // OPENMC_CONSTANTS_H
diff --git a/src/volume_calc.cpp b/src/volume_calc.cpp
index 002171d49..56134f367 100644
--- a/src/volume_calc.cpp
+++ b/src/volume_calc.cpp
@@ -225,6 +225,13 @@ vector<VolumeCalculation::Result> VolumeCalculation::execute() const
     iterations++;
     size_t total_samples = iterations * n_samples_;
 
+    // warn user if total sample size is greater than what the size_t type can
+    // represent
+    if (total_samples > SIZE_T_MAX) {
+      warning("The number of samples has exceeded the size_t type. Volume "
+              "results may be inaccurate.");
+    }
+
     // reset
     double trigger_val = -INFTY;
 

From 1a67755f6aca5dac26dcc686c60c95b0809986e3 Mon Sep 17 00:00:00 2001
From: Ethan Peterson <ethan.peterson@mit.edu>
Date: Wed, 19 Oct 2022 14:27:18 -0400
Subject: [PATCH 1168/2654] update unit test

---
 tests/unit_tests/test_cell.py | 2 ++
 1 file changed, 2 insertions(+)

diff --git a/tests/unit_tests/test_cell.py b/tests/unit_tests/test_cell.py
index faecf0b63..56e610e26 100644
--- a/tests/unit_tests/test_cell.py
+++ b/tests/unit_tests/test_cell.py
@@ -294,9 +294,11 @@ def test_to_xml_element(cell_with_lattice):
 
     c = cells[0]
     c.temperature = 900.0
+    c.volume = 1.0
     elem = c.create_xml_subelement(root)
     assert elem.get('region') == str(c.region)
     assert elem.get('temperature') == str(c.temperature)
+    assert elem.get('volume') == str(c.volume)
 
 
 @pytest.mark.parametrize("rotation", [

From f07b0295f9909c20c62c08b8046deb09db0f1e21 Mon Sep 17 00:00:00 2001
From: Gavin Ridley <gavin.keith.ridley@gmail.com>
Date: Thu, 20 Oct 2022 12:12:36 -0400
Subject: [PATCH 1169/2654] buildinfo printed on -v flag

---
 CMakeLists.txt     | 4 ++--
 src/initialize.cpp | 3 ---
 src/output.cpp     | 1 -
 3 files changed, 2 insertions(+), 6 deletions(-)

diff --git a/CMakeLists.txt b/CMakeLists.txt
index ad1478de8..04c712a17 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -489,10 +489,10 @@ target_compile_definitions(libopenmc PRIVATE BUILD_TYPE=${CMAKE_BUILD_TYPE})
 target_compile_definitions(libopenmc PRIVATE COMPILER_ID=${CMAKE_CXX_COMPILER_ID})
 target_compile_definitions(libopenmc PRIVATE COMPILER_VERSION=${CMAKE_CXX_COMPILER_VERSION})
 if (OPENMC_ENABLE_PROFILE)
-    target_compile_definitions(libopenmc PRIVATE PROFILINGBUILD)
+  target_compile_definitions(libopenmc PRIVATE PROFILINGBUILD)
 endif()
 if (OPENMC_ENABLE_COVERAGE)
-    target_compile_definitions(libopenmc PRIVATE COVERAGEBUILD)
+  target_compile_definitions(libopenmc PRIVATE COVERAGEBUILD)
 endif()
 
 #===============================================================================
diff --git a/src/initialize.cpp b/src/initialize.cpp
index e2503bc6e..aa353aa9c 100644
--- a/src/initialize.cpp
+++ b/src/initialize.cpp
@@ -260,9 +260,6 @@ int parse_command_line(int argc, char* argv[])
 
       } else if (arg == "-v" || arg == "--version") {
         print_version();
-        return OPENMC_E_UNASSIGNED;
-
-      } else if (arg == "-b" || arg == "--build-info") {
         print_build_info();
         return OPENMC_E_UNASSIGNED;
 
diff --git a/src/output.cpp b/src/output.cpp
index 5daf652dc..84e50462c 100644
--- a/src/output.cpp
+++ b/src/output.cpp
@@ -325,7 +325,6 @@ void print_usage()
       "max_tracks)\n"
       "  -e, --event            Run using event-based parallelism\n"
       "  -v, --version          Show version information\n"
-      "  -b, --build-info       Show compile options\n"
       "  -h, --help             Show this message\n");
   }
 }

From f58f4783751334ee35b6667c083f55e793d39250 Mon Sep 17 00:00:00 2001
From: Gavin Ridley <gavin.keith.ridley@gmail.com>
Date: Thu, 20 Oct 2022 16:58:50 -0400
Subject: [PATCH 1170/2654] align spaces

---
 src/output.cpp | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/src/output.cpp b/src/output.cpp
index 84e50462c..59cb15712 100644
--- a/src/output.cpp
+++ b/src/output.cpp
@@ -396,7 +396,7 @@ void print_build_info()
     fmt::print("DAGMC support:         {}\n", dagmc);
     fmt::print("libMesh support:       {}\n", libmesh);
     fmt::print("Coverage testing:      {}\n", coverage);
-    fmt::print("Profiling flags:       {}\n", profiling);
+    fmt::print("Profiling flags:         {}\n", profiling);
   }
 }
 

From 06729507ce333ead873a78a3456d49bece14a4aa Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 20 Oct 2022 20:46:47 -0500
Subject: [PATCH 1171/2654] Moving to uint64_t and updating MPI types as
 requested by @paulromano

---
 include/openmc/constants.h   |  3 ++-
 include/openmc/volume_calc.h |  7 +++++--
 src/volume_calc.cpp          | 38 +++++++++++++++++++-----------------
 3 files changed, 27 insertions(+), 21 deletions(-)

diff --git a/include/openmc/constants.h b/include/openmc/constants.h
index eadff1726..8bb2cb1bf 100644
--- a/include/openmc/constants.h
+++ b/include/openmc/constants.h
@@ -5,6 +5,7 @@
 #define OPENMC_CONSTANTS_H
 
 #include <cmath>
+#include <cstdint>
 #include <limits>
 
 #include "openmc/array.h"
@@ -342,7 +343,7 @@ enum class GeometryType { CSG, DAG };
 //==============================================================================
 // Volume Calculation Constants
 
-constexpr size_t SIZE_T_MAX {std::numeric_limits<size_t>::max()};
+constexpr uint64_t UINT64_T_MAX {std::numeric_limits<uint64_t>::max()};
 
 } // namespace openmc
 
diff --git a/include/openmc/volume_calc.h b/include/openmc/volume_calc.h
index db96f250f..2efd955f0 100644
--- a/include/openmc/volume_calc.h
+++ b/include/openmc/volume_calc.h
@@ -1,6 +1,9 @@
 #ifndef OPENMC_VOLUME_CALC_H
 #define OPENMC_VOLUME_CALC_H
 
+#include <cstdint>
+#include <string>
+
 #include "openmc/array.h"
 #include "openmc/position.h"
 #include "openmc/tallies/trigger.h"
@@ -10,7 +13,6 @@
 #include "xtensor/xtensor.hpp"
 
 #include <gsl/gsl-lite.hpp>
-#include <string>
 
 namespace openmc {
 
@@ -69,7 +71,8 @@ private:
   //! \param[in] i_material Index in global materials vector
   //! \param[in,out] indices Vector of material indices
   //! \param[in,out] hits Number of hits corresponding to each material
-  void check_hit(int i_material, vector<int>& indices, vector<int>& hits) const;
+  void check_hit(
+    int i_material, vector<uint64_t>& indices, vector<uint64_t>& hits) const;
 };
 
 //==============================================================================
diff --git a/src/volume_calc.cpp b/src/volume_calc.cpp
index 56134f367..126edd927 100644
--- a/src/volume_calc.cpp
+++ b/src/volume_calc.cpp
@@ -99,16 +99,16 @@ vector<VolumeCalculation::Result> VolumeCalculation::execute() const
 {
   // Shared data that is collected from all threads
   int n = domain_ids_.size();
-  vector<vector<int32_t>> master_indices(
+  vector<vector<uint64_t>> master_indices(
     n); // List of material indices for each domain
-  vector<vector<size_t>> master_hits(
+  vector<vector<uint64_t>> master_hits(
     n); // Number of hits for each material in each domain
   int iterations = 0;
 
   // Divide work over MPI processes
-  size_t min_samples = n_samples_ / mpi::n_procs;
-  size_t remainder = n_samples_ % mpi::n_procs;
-  size_t i_start, i_end;
+  uint64_t min_samples = n_samples_ / mpi::n_procs;
+  uint64_t remainder = n_samples_ % mpi::n_procs;
+  uint64_t i_start, i_end;
   if (mpi::rank < remainder) {
     i_start = (min_samples + 1) * mpi::rank;
     i_end = i_start + min_samples + 1;
@@ -123,14 +123,14 @@ vector<VolumeCalculation::Result> VolumeCalculation::execute() const
 #pragma omp parallel
     {
       // Variables that are private to each thread
-      vector<vector<int>> indices(n);
-      vector<vector<int>> hits(n);
+      vector<vector<uint64_t>> indices(n);
+      vector<vector<uint64_t>> hits(n);
       Particle p;
 
 // Sample locations and count hits
 #pragma omp for
       for (size_t i = i_start; i < i_end; i++) {
-        int64_t id = iterations * n_samples_ + i;
+        uint64_t id = iterations * n_samples_ + i;
         uint64_t seed = init_seed(id, STREAM_VOLUME);
 
         p.n_coord() = 1;
@@ -223,12 +223,13 @@ vector<VolumeCalculation::Result> VolumeCalculation::execute() const
     // bump iteration counter and get total number
     // of samples at this point
     iterations++;
-    size_t total_samples = iterations * n_samples_;
+    uint64_t total_samples = iterations * n_samples_;
 
     // warn user if total sample size is greater than what the size_t type can
     // represent
-    if (total_samples > SIZE_T_MAX) {
-      warning("The number of samples has exceeded the size_t type. Volume "
+    if (total_samples > UINT64_T_MAX) {
+      warning("The number of samples has exceeded the type used to track hits. "
+              "Volume "
               "results may be inaccurate.");
     }
 
@@ -253,10 +254,11 @@ vector<VolumeCalculation::Result> VolumeCalculation::execute() const
       if (mpi::master) {
         for (int j = 1; j < mpi::n_procs; j++) {
           int q;
+          // retrieve results
           MPI_Recv(
-            &q, 1, MPI_INTEGER, j, 2 * j, mpi::intracomm, MPI_STATUS_IGNORE);
-          vector<int> buffer(2 * q);
-          MPI_Recv(buffer.data(), 2 * q, MPI_INTEGER, j, 2 * j + 1,
+            &q, 1, MPI_UINT64_T, j, 2 * j, mpi::intracomm, MPI_STATUS_IGNORE);
+          vector<uint64_t> buffer(2 * q);
+          MPI_Recv(buffer.data(), 2 * q, MPI_UINT64_T, j, 2 * j + 1,
             mpi::intracomm, MPI_STATUS_IGNORE);
           for (int k = 0; k < q; ++k) {
             bool already_added = false;
@@ -275,14 +277,14 @@ vector<VolumeCalculation::Result> VolumeCalculation::execute() const
         }
       } else {
         int q = master_indices[i_domain].size();
-        vector<int> buffer(2 * q);
+        vector<uint64_t> buffer(2 * q);
         for (int k = 0; k < q; ++k) {
           buffer[2 * k] = master_indices[i_domain][k];
           buffer[2 * k + 1] = master_hits[i_domain][k];
         }
 
-        MPI_Send(&q, 1, MPI_INTEGER, 0, 2 * mpi::rank, mpi::intracomm);
-        MPI_Send(buffer.data(), 2 * q, MPI_INTEGER, 0, 2 * mpi::rank + 1,
+        MPI_Send(&q, 1, MPI_UINT64_T, 0, 2 * mpi::rank, mpi::intracomm);
+        MPI_Send(buffer.data(), 2 * q, MPI_UINT64_T, 0, 2 * mpi::rank + 1,
           mpi::intracomm);
       }
 #endif
@@ -471,7 +473,7 @@ void VolumeCalculation::to_hdf5(
 }
 
 void VolumeCalculation::check_hit(
-  int i_material, vector<int>& indices, vector<int>& hits) const
+  int i_material, vector<uint64_t>& indices, vector<uint64_t>& hits) const
 {
 
   // Check if this material was previously hit and if so, increment count

From 93065d188bdffe09138b6ecc34c686ae4d52432d Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 20 Oct 2022 20:54:43 -0500
Subject: [PATCH 1172/2654] Fixing sign for uint max comparison

---
 src/volume_calc.cpp | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/src/volume_calc.cpp b/src/volume_calc.cpp
index 126edd927..e36b88904 100644
--- a/src/volume_calc.cpp
+++ b/src/volume_calc.cpp
@@ -227,7 +227,7 @@ vector<VolumeCalculation::Result> VolumeCalculation::execute() const
 
     // warn user if total sample size is greater than what the size_t type can
     // represent
-    if (total_samples > UINT64_T_MAX) {
+    if (total_samples == UINT64_T_MAX) {
       warning("The number of samples has exceeded the type used to track hits. "
               "Volume "
               "results may be inaccurate.");

From 0e0cd0a22d059159a8799906f57d12cec99c1a89 Mon Sep 17 00:00:00 2001
From: Jose Ignacio Marquez Damian <marquezj@ess.eu>
Date: Mon, 13 Sep 2021 01:25:36 -0300
Subject: [PATCH 1173/2654] Added hooks for NCrystal

---
 CMakeLists.txt                 | 16 +++++++++
 include/openmc/material.h      |  8 +++++
 include/openmc/particle_data.h |  3 ++
 include/openmc/physics.h       | 27 ++++++++++++++++
 include/openmc/settings.h      |  3 ++
 openmc/material.py             | 59 ++++++++++++++++++++++++++++++++++
 src/material.cpp               | 36 ++++++++++++++++++++-
 src/physics.cpp                | 21 +++++++++++-
 src/settings.cpp               |  4 +++
 9 files changed, 175 insertions(+), 2 deletions(-)

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 521b46cfc..7be54dc3e 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -36,6 +36,7 @@ option(OPENMC_ENABLE_COVERAGE "Compile with coverage analysis flags"
 option(OPENMC_USE_DAGMC       "Enable support for DAGMC (CAD) geometry"              OFF)
 option(OPENMC_USE_LIBMESH     "Enable support for libMesh unstructured mesh tallies" OFF)
 option(OPENMC_USE_MPI         "Enable MPI"                                           OFF)
+option(OPENMC_USE_NCRYSTAL    "Enable support for NCrystal scattering"               OFF)
 
 # Warnings for deprecated options
 foreach(OLD_OPT IN ITEMS "openmp" "profile" "coverage" "dagmc" "libmesh")
@@ -98,6 +99,14 @@ macro(find_package_write_status pkg)
   endif()
 endmacro()
 
+#===============================================================================
+# NCrystal Scattering Support
+#===============================================================================
+
+if(OPENMC_USE_NCRYSTAL)
+  find_package(NCrystal REQUIRED PATH_SUFFIXES ./)#fixme
+endif()
+
 #===============================================================================
 # DAGMC Geometry Support - need DAGMC/MOAB
 #===============================================================================
@@ -482,6 +491,13 @@ if (OPENMC_USE_MPI)
   target_link_libraries(libopenmc MPI::MPI_CXX)
 endif()
 
+if(OPENMC_USE_NCRYSTAL)
+  target_compile_definitions(libopenmc PRIVATE NCRYSTAL)
+  target_link_libraries(libopenmc NCrystal::NCrystal)
+endif()
+
+
+
 #===============================================================================
 # openmc executable
 #===============================================================================
diff --git a/include/openmc/material.h b/include/openmc/material.h
index b251a3ca8..55f8ae20d 100644
--- a/include/openmc/material.h
+++ b/include/openmc/material.h
@@ -15,6 +15,10 @@
 #include "openmc/particle.h"
 #include "openmc/vector.h"
 
+#ifdef NCRYSTAL
+#include "NCrystal/NCrystal.hh"
+#endif
+
 namespace openmc {
 
 //==============================================================================
@@ -157,6 +161,10 @@ public:
   std::string name_;                    //!< Name of material
   vector<int> nuclide_;                 //!< Indices in nuclides vector
   vector<int> element_;                 //!< Indices in elements vector
+#ifdef NCRYSTAL
+  std::string cfg_; //!< NCrystal configuration string
+  std::shared_ptr<const NCrystal::ProcImpl::Process> m_NCrystal_mat_;
+#endif
   xt::xtensor<double, 1> atom_density_; //!< Nuclide atom density in [atom/b-cm]
   double density_;                      //!< Total atom density in [atom/b-cm]
   double density_gpcc_;                 //!< Total atom density in [g/cm^3]
diff --git a/include/openmc/particle_data.h b/include/openmc/particle_data.h
index d3d00571a..06ca5990a 100644
--- a/include/openmc/particle_data.h
+++ b/include/openmc/particle_data.h
@@ -162,6 +162,9 @@ struct MacroXS {
   double fission;     //!< macroscopic fission xs
   double nu_fission;  //!< macroscopic production xs
   double photon_prod; //!< macroscopic photon production xs
+#ifdef NCRYSTAL
+  double NCrystal_XS;   //!< macroscopic cross section of processes handled by NCrystal
+#endif
 
   // Photon cross sections
   double coherent;        //!< macroscopic coherent xs
diff --git a/include/openmc/physics.h b/include/openmc/physics.h
index 262b3a884..a1db07291 100644
--- a/include/openmc/physics.h
+++ b/include/openmc/physics.h
@@ -8,6 +8,10 @@
 #include "openmc/reaction.h"
 #include "openmc/vector.h"
 
+#ifdef NCRYSTAL
+#include "NCrystal/NCRNG.hh"
+#endif
+
 namespace openmc {
 
 //==============================================================================
@@ -101,6 +105,29 @@ void sample_secondary_photons(Particle& p, int i_nuclide);
 //! \param[in] p, particle to be split or rouletted with the weight window.
 void split_particle(Particle& p);
 
+#ifdef NCRYSTAL
+//==============================================================================
+// NCrystal wrapper class for the OpenMC random number generator
+//==============================================================================
+
+class NcrystalRNG_Wrapper : public NCrystal::RNGStream {
+    uint64_t* openmc_seed_;
+public:
+    constexpr NcrystalRNG_Wrapper(uint64_t* s) noexcept : openmc_seed_(s) {}
+  //Can be cheaply created on the stack just before being used in calls to
+  //ProcImpl::Scatter objects, like:
+  //
+  //  RNG_Wrapper rng(seed);
+  //
+protected:
+  //double actualGenerate() override { return prn(openmc_seed_); }
+  double actualGenerate() override {
+      return std::max<double>( std::numeric_limits<double>::min(), prn(openmc_seed_) );
+  }
+
+};
+#endif
+
 } // namespace openmc
 
 #endif // OPENMC_PHYSICS_H
diff --git a/include/openmc/settings.h b/include/openmc/settings.h
index 1e061b235..ba1a30e30 100644
--- a/include/openmc/settings.h
+++ b/include/openmc/settings.h
@@ -120,6 +120,9 @@ extern int trigger_batch_interval; //!< Batch interval for triggers
 extern "C" int verbosity;          //!< How verbose to make output
 extern double weight_cutoff;       //!< Weight cutoff for Russian roulette
 extern double weight_survive;      //!< Survival weight after Russian roulette
+#ifdef NCRYSTAL
+extern double ncrystal_max_energy; // Energy in eV to switch between NCrystal and ENDF
+#endif
 } // namespace settings
 
 //==============================================================================
diff --git a/openmc/material.py b/openmc/material.py
index e99eec52c..1fe62961d 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -118,6 +118,7 @@ class Material(IDManagerMixin):
         self._volume = None
         self._atoms = {}
         self._isotropic = []
+        self._NCrystal_cfg = None
 
         # A list of tuples (nuclide, percent, percent type)
         self._nuclides = []
@@ -140,6 +141,8 @@ class Material(IDManagerMixin):
 
         string += '{: <16}\n'.format('\tS(a,b) Tables')
 
+        string += '{: <16}=\t{}\n'.format('\tNCrystal conf', self._NCrystal_cfg)
+
         for sab in self._sab:
             string += '{: <16}=\t{}\n'.format('\tS(a,b)', sab)
 
@@ -331,6 +334,48 @@ class Material(IDManagerMixin):
 
         return material
 
+    @classmethod
+    def from_NCrystal(cls, cfg):
+        """Create material from NCrystal configuration string
+        Density is set from the NCrystal value,
+        and material temperature from the configuration string.
+      
+        Parameters
+        ----------
+        cfg : str
+            NCrystal configuration string
+
+        Returns
+        -------
+        openmc.Material
+            Material instance
+
+        """
+
+        try:
+            import NCrystal
+        except ImportError:
+            raise SystemExit("ERROR: NCrystal Python module is required.")
+
+        NC_mat = NCrystal.createInfo(cfg)
+        NC_comp = NC_mat.getComposition()
+
+        # Create the Material
+        material = cls()
+
+        for frac, atom in NC_comp:
+            if (atom.A() == 0):
+                material.add_element(atom.displayLabel(), frac, 'ao')
+            else:
+                material.add_nuclide(atom.displayLabel(), frac, 'ao')
+
+        material._NCrystal_cfg = cfg
+        material._density_units = "g/cm3"
+        material._density = NC_mat.getDensity()
+        material.temperature = NC_mat.getTemperature()
+
+        return material
+
     def add_volume_information(self, volume_calc):
         """Add volume information to a material.
 
@@ -405,6 +450,9 @@ class Material(IDManagerMixin):
                   'macroscopic data-set has already been added'.format(self._id)
             raise ValueError(msg)
 
+        if self._NCrystal_cfg is not None:
+            raise ValueError("Cannot add nuclides to NCrystal material")
+
         # If nuclide name doesn't look valid, give a warning
         try:
             Z, _, _ = openmc.data.zam(nuclide)
@@ -609,6 +657,9 @@ class Material(IDManagerMixin):
             raise ValueError("Element name should be given by the "
                              "element's symbol or name, e.g., 'Zr', 'zirconium'")
 
+        if self._NCrystal_cfg is not None:
+            raise ValueError("Cannot add elements to NCrystal material")
+
         # Allow for element identifier to be given as a symbol or name
         if len(element) > 2:
             el = element.lower()
@@ -1135,6 +1186,14 @@ class Material(IDManagerMixin):
         if self._volume:
             element.set("volume", str(self._volume))
 
+        if self._NCrystal_cfg:
+            if self._sab:
+                raise ValueError("NCrystal materials are not compatible with S(a,b).")
+            if self._macroscopic is not None:
+                raise ValueError("NCrystal materials are not compatible macroscopic cross sections.")
+
+            element.set("cfg", str(self._NCrystal_cfg))
+
         # Create temperature XML subelement
         if self.temperature is not None:
             element.set("temperature", str(self.temperature))
diff --git a/src/material.cpp b/src/material.cpp
index 30dfa5ed5..d7fae8361 100644
--- a/src/material.cpp
+++ b/src/material.cpp
@@ -60,6 +60,14 @@ Material::Material(pugi::xml_node node)
     name_ = get_node_value(node, "name");
   }
 
+#ifdef NCRYSTAL
+  if (check_for_node(node, "cfg")) {
+    cfg_ = get_node_value(node, "cfg");
+    write_message(5, "NCrystal config string: >>{}<< ", cfg_);
+    m_NCrystal_mat_  = NCrystal::FactImpl::createScatter(cfg_);
+  }
+#endif
+
   if (check_for_node(node, "depletable")) {
     depletable_ = get_node_value_bool(node, "depletable");
   }
@@ -792,6 +800,17 @@ void Material::calculate_neutron_xs(Particle& p) const
   // Initialize position in i_sab_nuclides
   int j = 0;
 
+#ifdef NCRYSTAL
+  double ncrystal_xs = -1;
+
+  if (m_NCrystal_mat_ != nullptr && p.E() < settings::ncrystal_max_energy){
+    // Calculate scattering XS per atom with NCrystal, only once per material
+    NCrystal::CachePtr dummyCache;
+    auto nc_energy = NCrystal::NeutronEnergy{p.E()};
+    ncrystal_xs = m_NCrystal_mat_->crossSection( dummyCache, nc_energy,  {p.u().x, p.u().y, p.u().z}).get();
+  }
+#endif
+
   // Add contribution from each nuclide in material
   for (int i = 0; i < nuclide_.size(); ++i) {
     // ======================================================================
@@ -830,10 +849,25 @@ void Material::calculate_neutron_xs(Particle& p) const
     int i_nuclide = nuclide_[i];
 
     // Calculate microscopic cross section for this nuclide
-    const auto& micro {p.neutron_xs(i_nuclide)};
+#ifndef NCRYSTAL
+    const
+#endif
+    auto& micro {p.neutron_xs(i_nuclide)};
     if (p.E() != micro.last_E || p.sqrtkT() != micro.last_sqrtkT ||
         i_sab != micro.index_sab || sab_frac != micro.sab_frac) {
       data::nuclides[i_nuclide]->calculate_xs(i_sab, i_grid, sab_frac, p);
+#ifdef NCRYSTAL
+      if (ncrystal_xs >= 0.0){
+        if ( micro.thermal > 0 || micro.thermal_elastic > 0) {
+            fatal_error("S(a,b) treatment and NCrystal are not compatible.");
+         }
+         data::nuclides[i_nuclide]->calculate_elastic_xs(p);
+         // remove free atom cross section
+         // and replace it by scattering cross section per atom from NCrystal
+         micro.total = micro.total - micro.elastic + ncrystal_xs;
+         micro.elastic = ncrystal_xs;
+      }
+#endif
     }
 
     // ======================================================================
diff --git a/src/physics.cpp b/src/physics.cpp
index bcdcf7ecf..9eff4aed7 100644
--- a/src/physics.cpp
+++ b/src/physics.cpp
@@ -140,8 +140,27 @@ void sample_neutron_reaction(Particle& p)
 
   // Sample a scattering reaction and determine the secondary energy of the
   // exiting neutron
-  scatter(p, i_nuclide);
 
+#ifdef NCRYSTAL
+  if (model::materials[p.material_]->m_NCrystal_mat_ != nullptr && p.E() < settings::ncrystal_max_energy){
+
+    NcrystalRNG_Wrapper rng(p.current_seed()); // Initialize RNG
+    //create a cache pointer for multi thread physics
+    NCrystal::CachePtr dummyCache;//fixme: avoid recreating here (triggers malloc)
+    auto nc_energy = NCrystal::NeutronEnergy{p.E()};
+    auto outcome = model::materials[p.material_]->m_NCrystal_mat_->sampleScatter( dummyCache, rng , nc_energy, {p.u().x, p.u().y, p.u().z});
+    p.E_last() = p.E();
+    p.E() = outcome.ekin.get();
+    Direction u_old {p.u()};
+    p.u() = Direction(outcome.direction[0], outcome.direction[1], outcome.direction[2]);
+    p.mu_ = u_old.dot(p.u());
+    p.event_mt_ = ELASTIC;//fixme: define a new label for NCrystal?
+  } else {
+    scatter(p, i_nuclide);
+  }
+#else
+  scatter(p, i_nuclide);
+#endif
   // Advance URR seed stream 'N' times after energy changes
   if (p.E() != p.E_last()) {
     p.stream() = STREAM_URR_PTABLE;
diff --git a/src/settings.cpp b/src/settings.cpp
index eb0d4936c..3f3e97054 100644
--- a/src/settings.cpp
+++ b/src/settings.cpp
@@ -118,6 +118,10 @@ int verbosity {7};
 double weight_cutoff {0.25};
 double weight_survive {1.0};
 
+#ifdef NCRYSTAL
+double ncrystal_max_energy{5.0};
+#endif
+
 } // namespace settings
 
 //==============================================================================

From 0f33e0b11c6add029f354eb3e5c89b002eec7500 Mon Sep 17 00:00:00 2001
From: Thomas Kittelmann <thomas.kittelmann@ess.eu>
Date: Tue, 13 Sep 2022 14:22:04 +0200
Subject: [PATCH 1174/2654] Add temporary requirement of natural elements in
 NCrystal materials

---
 openmc/material.py | 7 +++----
 1 file changed, 3 insertions(+), 4 deletions(-)

diff --git a/openmc/material.py b/openmc/material.py
index 1fe62961d..0a293eb0f 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -364,10 +364,9 @@ class Material(IDManagerMixin):
         material = cls()
 
         for frac, atom in NC_comp:
-            if (atom.A() == 0):
-                material.add_element(atom.displayLabel(), frac, 'ao')
-            else:
-                material.add_nuclide(atom.displayLabel(), frac, 'ao')
+            if not atom.isNaturalElement():
+                raise ValueError('NCrystal-OpenMC interface only works with natural elements for now.')
+            material.add_element(atom.elementName(), frac, 'ao')
 
         material._NCrystal_cfg = cfg
         material._density_units = "g/cm3"

From 9c54ac0b6b53336f834b5f868aa85e3e140239f8 Mon Sep 17 00:00:00 2001
From: Jose Ignacio Marquez Damian <marquezj@ess.eu>
Date: Tue, 13 Sep 2022 16:07:50 +0200
Subject: [PATCH 1175/2654] Fix access to private attributes

---
 include/openmc/material.h | 6 ++++++
 src/physics.cpp           | 9 ++++-----
 2 files changed, 10 insertions(+), 5 deletions(-)

diff --git a/include/openmc/material.h b/include/openmc/material.h
index 55f8ae20d..eef557088 100644
--- a/include/openmc/material.h
+++ b/include/openmc/material.h
@@ -155,6 +155,12 @@ public:
   //! \return Temperature in [K]
   double temperature() const;
 
+#ifdef NCRYSTAL
+  //! Gwet pointer to NCrystal material object
+  //! \return Pointer to NCrystal material object
+  std::shared_ptr<const NCrystal::ProcImpl::Process> m_NCrystal_mat() const {return m_NCrystal_mat_};
+#endif
+
   //----------------------------------------------------------------------------
   // Data
   int32_t id_ {C_NONE};                 //!< Unique ID
diff --git a/src/physics.cpp b/src/physics.cpp
index 9eff4aed7..948307521 100644
--- a/src/physics.cpp
+++ b/src/physics.cpp
@@ -142,19 +142,18 @@ void sample_neutron_reaction(Particle& p)
   // exiting neutron
 
 #ifdef NCRYSTAL
-  if (model::materials[p.material_]->m_NCrystal_mat_ != nullptr && p.E() < settings::ncrystal_max_energy){
-
+  if (model::materials[p.material()]->m_NCrystal_mat() != nullptr && p.E() < settings::ncrystal_max_energy){
     NcrystalRNG_Wrapper rng(p.current_seed()); // Initialize RNG
     //create a cache pointer for multi thread physics
     NCrystal::CachePtr dummyCache;//fixme: avoid recreating here (triggers malloc)
     auto nc_energy = NCrystal::NeutronEnergy{p.E()};
-    auto outcome = model::materials[p.material_]->m_NCrystal_mat_->sampleScatter( dummyCache, rng , nc_energy, {p.u().x, p.u().y, p.u().z});
+    auto outcome = model::materials[p.material()]->m_NCrystal_mat()->sampleScatter( dummyCache, rng , nc_energy, {p.u().x, p.u().y, p.u().z});
     p.E_last() = p.E();
     p.E() = outcome.ekin.get();
     Direction u_old {p.u()};
     p.u() = Direction(outcome.direction[0], outcome.direction[1], outcome.direction[2]);
-    p.mu_ = u_old.dot(p.u());
-    p.event_mt_ = ELASTIC;//fixme: define a new label for NCrystal?
+    p.mu() = u_old.dot(p.u());
+    p.event_mt() = ELASTIC;//fixme: define a new label for NCrystal?
   } else {
     scatter(p, i_nuclide);
   }

From 70d5c76ebd70cf43349423f17028c3cb1dfe1daa Mon Sep 17 00:00:00 2001
From: Jose Ignacio Marquez Damian <marquezj@ess.eu>
Date: Tue, 13 Sep 2022 16:10:05 +0200
Subject: [PATCH 1176/2654] Fixed material.h

---
 include/openmc/material.h | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/include/openmc/material.h b/include/openmc/material.h
index eef557088..10e64773e 100644
--- a/include/openmc/material.h
+++ b/include/openmc/material.h
@@ -158,7 +158,7 @@ public:
 #ifdef NCRYSTAL
   //! Gwet pointer to NCrystal material object
   //! \return Pointer to NCrystal material object
-  std::shared_ptr<const NCrystal::ProcImpl::Process> m_NCrystal_mat() const {return m_NCrystal_mat_};
+  std::shared_ptr<const NCrystal::ProcImpl::Process> m_NCrystal_mat() const {return m_NCrystal_mat_; };
 #endif
 
   //----------------------------------------------------------------------------

From 29a10eafd3db601ffa9a7e7bf882431c150ee1b2 Mon Sep 17 00:00:00 2001
From: Jose Ignacio Marquez Damian <marquezj@cab.cnea.gov.ar>
Date: Fri, 16 Sep 2022 09:03:09 -0300
Subject: [PATCH 1177/2654] Removed MacroNCrystalXS

This was left from a previous implementation. Now it is not needed because NCrystal just takes over all neutron scattering events below a given energy threshold.
---
 include/openmc/particle_data.h | 3 ---
 1 file changed, 3 deletions(-)

diff --git a/include/openmc/particle_data.h b/include/openmc/particle_data.h
index 06ca5990a..d3d00571a 100644
--- a/include/openmc/particle_data.h
+++ b/include/openmc/particle_data.h
@@ -162,9 +162,6 @@ struct MacroXS {
   double fission;     //!< macroscopic fission xs
   double nu_fission;  //!< macroscopic production xs
   double photon_prod; //!< macroscopic photon production xs
-#ifdef NCRYSTAL
-  double NCrystal_XS;   //!< macroscopic cross section of processes handled by NCrystal
-#endif
 
   // Photon cross sections
   double coherent;        //!< macroscopic coherent xs

From 2e19260dea9176f03f2d5d80be19c8c819d339d3 Mon Sep 17 00:00:00 2001
From: Jose Ignacio Marquez Damian <marquezj@ess.eu>
Date: Mon, 26 Sep 2022 11:19:54 +0200
Subject: [PATCH 1178/2654] Implement recommended changes

---
 CMakeLists.txt            |  2 +-
 include/openmc/material.h |  8 ++++----
 include/openmc/physics.h  | 10 ++--------
 openmc/material.py        | 31 ++++++++++++++-----------------
 src/material.cpp          | 16 +++++++++-------
 src/physics.cpp           | 10 +++++-----
 6 files changed, 35 insertions(+), 42 deletions(-)

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 7be54dc3e..7080accfd 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -104,7 +104,7 @@ endmacro()
 #===============================================================================
 
 if(OPENMC_USE_NCRYSTAL)
-  find_package(NCrystal REQUIRED PATH_SUFFIXES ./)#fixme
+  find_package(NCrystal REQUIRED)
 endif()
 
 #===============================================================================
diff --git a/include/openmc/material.h b/include/openmc/material.h
index 10e64773e..30d8ffb7d 100644
--- a/include/openmc/material.h
+++ b/include/openmc/material.h
@@ -156,9 +156,9 @@ public:
   double temperature() const;
 
 #ifdef NCRYSTAL
-  //! Gwet pointer to NCrystal material object
+  //! Get pointer to NCrystal material object
   //! \return Pointer to NCrystal material object
-  std::shared_ptr<const NCrystal::ProcImpl::Process> m_NCrystal_mat() const {return m_NCrystal_mat_; };
+  std::shared_ptr<const NCrystal::ProcImpl::Process> ncrystal_mat() const {return ncrystal_mat_; };
 #endif
 
   //----------------------------------------------------------------------------
@@ -168,8 +168,8 @@ public:
   vector<int> nuclide_;                 //!< Indices in nuclides vector
   vector<int> element_;                 //!< Indices in elements vector
 #ifdef NCRYSTAL
-  std::string cfg_; //!< NCrystal configuration string
-  std::shared_ptr<const NCrystal::ProcImpl::Process> m_NCrystal_mat_;
+  std::string ncrystal_cfg_; //!< NCrystal configuration string
+  std::shared_ptr<const NCrystal::ProcImpl::Process> ncrystal_mat_;
 #endif
   xt::xtensor<double, 1> atom_density_; //!< Nuclide atom density in [atom/b-cm]
   double density_;                      //!< Total atom density in [atom/b-cm]
diff --git a/include/openmc/physics.h b/include/openmc/physics.h
index a1db07291..109f7caff 100644
--- a/include/openmc/physics.h
+++ b/include/openmc/physics.h
@@ -110,17 +110,11 @@ void split_particle(Particle& p);
 // NCrystal wrapper class for the OpenMC random number generator
 //==============================================================================
 
-class NcrystalRNG_Wrapper : public NCrystal::RNGStream {
+class NCrystalRNGWrapper : public NCrystal::RNGStream {
     uint64_t* openmc_seed_;
 public:
-    constexpr NcrystalRNG_Wrapper(uint64_t* s) noexcept : openmc_seed_(s) {}
-  //Can be cheaply created on the stack just before being used in calls to
-  //ProcImpl::Scatter objects, like:
-  //
-  //  RNG_Wrapper rng(seed);
-  //
+    constexpr NCrystalRNGWrapper(uint64_t* seed) noexcept : openmc_seed_(seed) {}
 protected:
-  //double actualGenerate() override { return prn(openmc_seed_); }
   double actualGenerate() override {
       return std::max<double>( std::numeric_limits<double>::min(), prn(openmc_seed_) );
   }
diff --git a/openmc/material.py b/openmc/material.py
index 0a293eb0f..15d1f8ac9 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -118,7 +118,7 @@ class Material(IDManagerMixin):
         self._volume = None
         self._atoms = {}
         self._isotropic = []
-        self._NCrystal_cfg = None
+        self._ncrystal_cfg = None
 
         # A list of tuples (nuclide, percent, percent type)
         self._nuclides = []
@@ -141,7 +141,7 @@ class Material(IDManagerMixin):
 
         string += '{: <16}\n'.format('\tS(a,b) Tables')
 
-        string += '{: <16}=\t{}\n'.format('\tNCrystal conf', self._NCrystal_cfg)
+        string += '{: <16}=\t{}\n'.format('\tNCrystal conf', self._ncrystal_cfg)
 
         for sab in self._sab:
             string += '{: <16}=\t{}\n'.format('\tS(a,b)', sab)
@@ -335,7 +335,7 @@ class Material(IDManagerMixin):
         return material
 
     @classmethod
-    def from_NCrystal(cls, cfg):
+    def from_ncrystal(cls, cfg):
         """Create material from NCrystal configuration string
         Density is set from the NCrystal value,
         and material temperature from the configuration string.
@@ -352,26 +352,23 @@ class Material(IDManagerMixin):
 
         """
 
-        try:
-            import NCrystal
-        except ImportError:
-            raise SystemExit("ERROR: NCrystal Python module is required.")
+        import NCrystal
 
-        NC_mat = NCrystal.createInfo(cfg)
-        NC_comp = NC_mat.getComposition()
+        nc_mat = NCrystal.createInfo(cfg)
+        nc_comp = nc_mat.getComposition()
 
         # Create the Material
         material = cls()
 
-        for frac, atom in NC_comp:
+        for frac, atom in nc_comp:
             if not atom.isNaturalElement():
                 raise ValueError('NCrystal-OpenMC interface only works with natural elements for now.')
             material.add_element(atom.elementName(), frac, 'ao')
 
-        material._NCrystal_cfg = cfg
+        material._ncrystal_cfg = cfg
         material._density_units = "g/cm3"
-        material._density = NC_mat.getDensity()
-        material.temperature = NC_mat.getTemperature()
+        material._density = nc_mat.getDensity()
+        material.temperature = nc_mat.getTemperature()
 
         return material
 
@@ -449,7 +446,7 @@ class Material(IDManagerMixin):
                   'macroscopic data-set has already been added'.format(self._id)
             raise ValueError(msg)
 
-        if self._NCrystal_cfg is not None:
+        if self._ncrystal_cfg is not None:
             raise ValueError("Cannot add nuclides to NCrystal material")
 
         # If nuclide name doesn't look valid, give a warning
@@ -656,7 +653,7 @@ class Material(IDManagerMixin):
             raise ValueError("Element name should be given by the "
                              "element's symbol or name, e.g., 'Zr', 'zirconium'")
 
-        if self._NCrystal_cfg is not None:
+        if self._ncrystal_cfg is not None:
             raise ValueError("Cannot add elements to NCrystal material")
 
         # Allow for element identifier to be given as a symbol or name
@@ -1185,13 +1182,13 @@ class Material(IDManagerMixin):
         if self._volume:
             element.set("volume", str(self._volume))
 
-        if self._NCrystal_cfg:
+        if self._ncrystal_cfg:
             if self._sab:
                 raise ValueError("NCrystal materials are not compatible with S(a,b).")
             if self._macroscopic is not None:
                 raise ValueError("NCrystal materials are not compatible macroscopic cross sections.")
 
-            element.set("cfg", str(self._NCrystal_cfg))
+            element.set("cfg", str(self._ncrystal_cfg))
 
         # Create temperature XML subelement
         if self.temperature is not None:
diff --git a/src/material.cpp b/src/material.cpp
index d7fae8361..13acbba1f 100644
--- a/src/material.cpp
+++ b/src/material.cpp
@@ -63,8 +63,8 @@ Material::Material(pugi::xml_node node)
 #ifdef NCRYSTAL
   if (check_for_node(node, "cfg")) {
     cfg_ = get_node_value(node, "cfg");
-    write_message(5, "NCrystal config string: >>{}<< ", cfg_);
-    m_NCrystal_mat_  = NCrystal::FactImpl::createScatter(cfg_);
+    write_message(5, "NCrystal config string: '{}'", ncrystal_cfg_);
+    ncrystal_mat_  = NCrystal::FactImpl::createScatter(ncrystal_cfg_);
   }
 #endif
 
@@ -803,11 +803,11 @@ void Material::calculate_neutron_xs(Particle& p) const
 #ifdef NCRYSTAL
   double ncrystal_xs = -1;
 
-  if (m_NCrystal_mat_ != nullptr && p.E() < settings::ncrystal_max_energy){
+  if (ncrystal_mat_ && p.E() < settings::ncrystal_max_energy){
     // Calculate scattering XS per atom with NCrystal, only once per material
-    NCrystal::CachePtr dummyCache;
+    NCrystal::CachePtr dummy_cache;
     auto nc_energy = NCrystal::NeutronEnergy{p.E()};
-    ncrystal_xs = m_NCrystal_mat_->crossSection( dummyCache, nc_energy,  {p.u().x, p.u().y, p.u().z}).get();
+    ncrystal_xs = ncrystal_mat_->crossSection( dummy_cache, nc_energy,  {p.u().x, p.u().y, p.u().z}).get();
   }
 #endif
 
@@ -849,8 +849,10 @@ void Material::calculate_neutron_xs(Particle& p) const
     int i_nuclide = nuclide_[i];
 
     // Calculate microscopic cross section for this nuclide
-#ifndef NCRYSTAL
-    const
+#ifdef NCRYSTAL
+    auto& micro {p.neutron_xs(i_nuclide)};
+#else
+    const auto& micro {p.neutron_xs(i_nuclide)};
 #endif
     auto& micro {p.neutron_xs(i_nuclide)};
     if (p.E() != micro.last_E || p.sqrtkT() != micro.last_sqrtkT ||
diff --git a/src/physics.cpp b/src/physics.cpp
index 948307521..bad499772 100644
--- a/src/physics.cpp
+++ b/src/physics.cpp
@@ -142,18 +142,18 @@ void sample_neutron_reaction(Particle& p)
   // exiting neutron
 
 #ifdef NCRYSTAL
-  if (model::materials[p.material()]->m_NCrystal_mat() != nullptr && p.E() < settings::ncrystal_max_energy){
-    NcrystalRNG_Wrapper rng(p.current_seed()); // Initialize RNG
+  if (model::materials[p.material()]->ncrystal_mat() && p.E() < settings::ncrystal_max_energy){
+    NCrystalRNGWrapper rng(p.current_seed()); // Initialize RNG
     //create a cache pointer for multi thread physics
-    NCrystal::CachePtr dummyCache;//fixme: avoid recreating here (triggers malloc)
+    NCrystal::CachePtr dummy_cache;
     auto nc_energy = NCrystal::NeutronEnergy{p.E()};
-    auto outcome = model::materials[p.material()]->m_NCrystal_mat()->sampleScatter( dummyCache, rng , nc_energy, {p.u().x, p.u().y, p.u().z});
+    auto outcome = model::materials[p.material()]->ncrystal_mat()->sampleScatter( dummy_cache, rng , nc_energy, {p.u().x, p.u().y, p.u().z});
     p.E_last() = p.E();
     p.E() = outcome.ekin.get();
     Direction u_old {p.u()};
     p.u() = Direction(outcome.direction[0], outcome.direction[1], outcome.direction[2]);
     p.mu() = u_old.dot(p.u());
-    p.event_mt() = ELASTIC;//fixme: define a new label for NCrystal?
+    p.event_mt() = ELASTIC;
   } else {
     scatter(p, i_nuclide);
   }

From 5afcc9e49b60ec1c5e2290d4725bac7a96e1692e Mon Sep 17 00:00:00 2001
From: Jose Ignacio Marquez Damian <marquezj@ess.eu>
Date: Mon, 26 Sep 2022 11:30:39 +0200
Subject: [PATCH 1179/2654] Apply clang-format

---
 include/openmc/material.h | 13 ++++++++-----
 include/openmc/physics.h  | 17 ++++++++++-------
 include/openmc/settings.h |  3 ++-
 src/material.cpp          | 33 ++++++++++++++++++---------------
 src/physics.cpp           | 18 +++++++++++-------
 src/settings.cpp          |  2 +-
 6 files changed, 50 insertions(+), 36 deletions(-)

diff --git a/include/openmc/material.h b/include/openmc/material.h
index 30d8ffb7d..47e3e6a16 100644
--- a/include/openmc/material.h
+++ b/include/openmc/material.h
@@ -158,15 +158,18 @@ public:
 #ifdef NCRYSTAL
   //! Get pointer to NCrystal material object
   //! \return Pointer to NCrystal material object
-  std::shared_ptr<const NCrystal::ProcImpl::Process> ncrystal_mat() const {return ncrystal_mat_; };
+  std::shared_ptr<const NCrystal::ProcImpl::Process> ncrystal_mat() const
+  {
+    return ncrystal_mat_;
+  };
 #endif
 
   //----------------------------------------------------------------------------
   // Data
-  int32_t id_ {C_NONE};                 //!< Unique ID
-  std::string name_;                    //!< Name of material
-  vector<int> nuclide_;                 //!< Indices in nuclides vector
-  vector<int> element_;                 //!< Indices in elements vector
+  int32_t id_ {C_NONE}; //!< Unique ID
+  std::string name_;    //!< Name of material
+  vector<int> nuclide_; //!< Indices in nuclides vector
+  vector<int> element_; //!< Indices in elements vector
 #ifdef NCRYSTAL
   std::string ncrystal_cfg_; //!< NCrystal configuration string
   std::shared_ptr<const NCrystal::ProcImpl::Process> ncrystal_mat_;
diff --git a/include/openmc/physics.h b/include/openmc/physics.h
index 109f7caff..23995e7af 100644
--- a/include/openmc/physics.h
+++ b/include/openmc/physics.h
@@ -111,14 +111,17 @@ void split_particle(Particle& p);
 //==============================================================================
 
 class NCrystalRNGWrapper : public NCrystal::RNGStream {
-    uint64_t* openmc_seed_;
-public:
-    constexpr NCrystalRNGWrapper(uint64_t* seed) noexcept : openmc_seed_(seed) {}
-protected:
-  double actualGenerate() override {
-      return std::max<double>( std::numeric_limits<double>::min(), prn(openmc_seed_) );
-  }
+  uint64_t* openmc_seed_;
 
+public:
+  constexpr NCrystalRNGWrapper(uint64_t* seed) noexcept : openmc_seed_(seed) {}
+
+protected:
+  double actualGenerate() override
+  {
+    return std::max<double>(
+      std::numeric_limits<double>::min(), prn(openmc_seed_));
+  }
 };
 #endif
 
diff --git a/include/openmc/settings.h b/include/openmc/settings.h
index ba1a30e30..9bb447005 100644
--- a/include/openmc/settings.h
+++ b/include/openmc/settings.h
@@ -121,7 +121,8 @@ extern "C" int verbosity;          //!< How verbose to make output
 extern double weight_cutoff;       //!< Weight cutoff for Russian roulette
 extern double weight_survive;      //!< Survival weight after Russian roulette
 #ifdef NCRYSTAL
-extern double ncrystal_max_energy; // Energy in eV to switch between NCrystal and ENDF
+extern double
+  ncrystal_max_energy; //!< Energy in eV to switch between NCrystal and ENDF
 #endif
 } // namespace settings
 
diff --git a/src/material.cpp b/src/material.cpp
index 13acbba1f..e894084e2 100644
--- a/src/material.cpp
+++ b/src/material.cpp
@@ -64,7 +64,7 @@ Material::Material(pugi::xml_node node)
   if (check_for_node(node, "cfg")) {
     cfg_ = get_node_value(node, "cfg");
     write_message(5, "NCrystal config string: '{}'", ncrystal_cfg_);
-    ncrystal_mat_  = NCrystal::FactImpl::createScatter(ncrystal_cfg_);
+    ncrystal_mat_ = NCrystal::FactImpl::createScatter(ncrystal_cfg_);
   }
 #endif
 
@@ -375,8 +375,8 @@ void Material::finalize()
     this->init_thermal();
   }
 
-// Normalize density
-this->normalize_density();
+  // Normalize density
+  this->normalize_density();
 }
 
 void Material::normalize_density()
@@ -803,11 +803,14 @@ void Material::calculate_neutron_xs(Particle& p) const
 #ifdef NCRYSTAL
   double ncrystal_xs = -1;
 
-  if (ncrystal_mat_ && p.E() < settings::ncrystal_max_energy){
+  if (ncrystal_mat_ && p.E() < settings::ncrystal_max_energy) {
     // Calculate scattering XS per atom with NCrystal, only once per material
     NCrystal::CachePtr dummy_cache;
-    auto nc_energy = NCrystal::NeutronEnergy{p.E()};
-    ncrystal_xs = ncrystal_mat_->crossSection( dummy_cache, nc_energy,  {p.u().x, p.u().y, p.u().z}).get();
+    auto nc_energy = NCrystal::NeutronEnergy {p.E()};
+    ncrystal_xs =
+      ncrystal_mat_
+        ->crossSection(dummy_cache, nc_energy, {p.u().x, p.u().y, p.u().z})
+        .get();
   }
 #endif
 
@@ -859,15 +862,15 @@ void Material::calculate_neutron_xs(Particle& p) const
         i_sab != micro.index_sab || sab_frac != micro.sab_frac) {
       data::nuclides[i_nuclide]->calculate_xs(i_sab, i_grid, sab_frac, p);
 #ifdef NCRYSTAL
-      if (ncrystal_xs >= 0.0){
-        if ( micro.thermal > 0 || micro.thermal_elastic > 0) {
-            fatal_error("S(a,b) treatment and NCrystal are not compatible.");
-         }
-         data::nuclides[i_nuclide]->calculate_elastic_xs(p);
-         // remove free atom cross section
-         // and replace it by scattering cross section per atom from NCrystal
-         micro.total = micro.total - micro.elastic + ncrystal_xs;
-         micro.elastic = ncrystal_xs;
+      if (ncrystal_xs >= 0.0) {
+        if (micro.thermal > 0 || micro.thermal_elastic > 0) {
+          fatal_error("S(a,b) treatment and NCrystal are not compatible.");
+        }
+        data::nuclides[i_nuclide]->calculate_elastic_xs(p);
+        // remove free atom cross section
+        // and replace it by scattering cross section per atom from NCrystal
+        micro.total = micro.total - micro.elastic + ncrystal_xs;
+        micro.elastic = ncrystal_xs;
       }
 #endif
     }
diff --git a/src/physics.cpp b/src/physics.cpp
index bad499772..e19640314 100644
--- a/src/physics.cpp
+++ b/src/physics.cpp
@@ -138,20 +138,24 @@ void sample_neutron_reaction(Particle& p)
   if (!p.alive())
     return;
 
-  // Sample a scattering reaction and determine the secondary energy of the
-  // exiting neutron
+    // Sample a scattering reaction and determine the secondary energy of the
+    // exiting neutron
 
 #ifdef NCRYSTAL
-  if (model::materials[p.material()]->ncrystal_mat() && p.E() < settings::ncrystal_max_energy){
+  if (model::materials[p.material()]->ncrystal_mat() &&
+      p.E() < settings::ncrystal_max_energy) {
     NCrystalRNGWrapper rng(p.current_seed()); // Initialize RNG
-    //create a cache pointer for multi thread physics
+    // create a cache pointer for multi thread physics
     NCrystal::CachePtr dummy_cache;
-    auto nc_energy = NCrystal::NeutronEnergy{p.E()};
-    auto outcome = model::materials[p.material()]->ncrystal_mat()->sampleScatter( dummy_cache, rng , nc_energy, {p.u().x, p.u().y, p.u().z});
+    auto nc_energy = NCrystal::NeutronEnergy {p.E()};
+    auto outcome =
+      model::materials[p.material()]->ncrystal_mat()->sampleScatter(
+        dummy_cache, rng, nc_energy, {p.u().x, p.u().y, p.u().z});
     p.E_last() = p.E();
     p.E() = outcome.ekin.get();
     Direction u_old {p.u()};
-    p.u() = Direction(outcome.direction[0], outcome.direction[1], outcome.direction[2]);
+    p.u() = Direction(
+      outcome.direction[0], outcome.direction[1], outcome.direction[2]);
     p.mu() = u_old.dot(p.u());
     p.event_mt() = ELASTIC;
   } else {
diff --git a/src/settings.cpp b/src/settings.cpp
index 3f3e97054..87c24eedd 100644
--- a/src/settings.cpp
+++ b/src/settings.cpp
@@ -119,7 +119,7 @@ double weight_cutoff {0.25};
 double weight_survive {1.0};
 
 #ifdef NCRYSTAL
-double ncrystal_max_energy{5.0};
+double ncrystal_max_energy {5.0};
 #endif
 
 } // namespace settings

From fdf763e801b1439da96009fd5dadeadeb93e36f7 Mon Sep 17 00:00:00 2001
From: Jose Ignacio Marquez Damian <marquezj@ess.eu>
Date: Mon, 26 Sep 2022 12:35:12 +0200
Subject: [PATCH 1180/2654] Couple of fixes

---
 src/material.cpp | 3 +--
 1 file changed, 1 insertion(+), 2 deletions(-)

diff --git a/src/material.cpp b/src/material.cpp
index e894084e2..9531e9f43 100644
--- a/src/material.cpp
+++ b/src/material.cpp
@@ -62,7 +62,7 @@ Material::Material(pugi::xml_node node)
 
 #ifdef NCRYSTAL
   if (check_for_node(node, "cfg")) {
-    cfg_ = get_node_value(node, "cfg");
+    ncrystal_cfg_ = get_node_value(node, "cfg");
     write_message(5, "NCrystal config string: '{}'", ncrystal_cfg_);
     ncrystal_mat_ = NCrystal::FactImpl::createScatter(ncrystal_cfg_);
   }
@@ -857,7 +857,6 @@ void Material::calculate_neutron_xs(Particle& p) const
 #else
     const auto& micro {p.neutron_xs(i_nuclide)};
 #endif
-    auto& micro {p.neutron_xs(i_nuclide)};
     if (p.E() != micro.last_E || p.sqrtkT() != micro.last_sqrtkT ||
         i_sab != micro.index_sab || sab_frac != micro.sab_frac) {
       data::nuclides[i_nuclide]->calculate_xs(i_sab, i_grid, sab_frac, p);

From 52ee2c37ced8fce859d2ec6a06c6909dd0d04b44 Mon Sep 17 00:00:00 2001
From: Thomas Kittelmann <tkittel@users.noreply.github.com>
Date: Thu, 20 Oct 2022 11:36:22 +0200
Subject: [PATCH 1181/2654] Print where NCrystal was found as suggested by
 @paulromano

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 CMakeLists.txt | 1 +
 1 file changed, 1 insertion(+)

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 7080accfd..2815230d4 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -105,6 +105,7 @@ endmacro()
 
 if(OPENMC_USE_NCRYSTAL)
   find_package(NCrystal REQUIRED)
+  message(STATUS "Found NCrystal: ${NCrystal_DIR} (version ${NCrystal_VERSION})")
 endif()
 
 #===============================================================================

From a5b811ec899470f9b0bb3e387f0f672ae8490321 Mon Sep 17 00:00:00 2001
From: Thomas Kittelmann <thomas.kittelmann@ess.eu>
Date: Thu, 20 Oct 2022 13:25:05 +0200
Subject: [PATCH 1182/2654] Use new NCrystal getFlattenedComposition method to
 better support more complicated materials

---
 openmc/material.py | 63 +++++++++++++++++++++++++++++++++-------------
 1 file changed, 46 insertions(+), 17 deletions(-)

diff --git a/openmc/material.py b/openmc/material.py
index 15d1f8ac9..de4a22cb8 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -335,15 +335,23 @@ class Material(IDManagerMixin):
         return material
 
     @classmethod
-    def from_ncrystal(cls, cfg):
-        """Create material from NCrystal configuration string
-        Density is set from the NCrystal value,
-        and material temperature from the configuration string.
-      
+    def from_ncrystal(cls, cfg, material_id=None, name=''):
+        """Create material from NCrystal configuration string. Density,
+        temperature, and material composition, and (ultimately) thermal neutron
+        scattering, will be automatically be provided by NCrystal based on this
+        string. The name and material_id parameters are simply passed on to the
+        Material constructor.
+
         Parameters
         ----------
         cfg : str
             NCrystal configuration string
+        material_id : int, optional
+            Unique identifier for the material. If not specified, an identifier will
+            automatically be assigned.
+        name : str, optional
+            Name of the material. If not specified, the name will be the empty
+            string.
 
         Returns
         -------
@@ -353,22 +361,43 @@ class Material(IDManagerMixin):
         """
 
         import NCrystal
-
         nc_mat = NCrystal.createInfo(cfg)
-        nc_comp = nc_mat.getComposition()
+
+        def openmc_natabund( Z ):
+            #nc_mat.getFlattenedComposition might need natural abundancies.
+            #This call-back function is used so NCrystal can flatten composition
+            #using OpenMC's natural abundancies. In practice this function will
+            #only get invoked in the unlikely case where a material is specified
+            #by referring both to natural elements and specific isotopes of the
+            #same element.
+            elem_name = openmc.data.ATOMIC_SYMBOL.get( Z, None )
+            if not elem_name:
+                raise ValueError( f'Element with Z={Z} is not known' )
+            l = []
+            for iso_name,abund in openmc.data.isotopes( elem_name ):
+                l.append( ( int(iso_name[ len(elem_name) : ]), abund ) )
+            return l
+
+        flat_compos = nc_mat.getFlattenedComposition( preferNaturalElements = True,
+                                                      naturalAbundProvider = openmc_natabund )
 
         # Create the Material
-        material = cls()
+        material = cls( material_id = material_id,
+                        name = name,
+                        temperature = nc_mat.getTemperature() )
 
-        for frac, atom in nc_comp:
-            if not atom.isNaturalElement():
-                raise ValueError('NCrystal-OpenMC interface only works with natural elements for now.')
-            material.add_element(atom.elementName(), frac, 'ao')
+        for Z, A_vals in flat_compos:
+            elemname = openmc.data.ATOMIC_SYMBOL.get(Z,None)
+            if not elemname:
+                raise ValueError(f'Element with Z={Z} is not known')
+            for A, frac in A_vals:
+                if A:
+                    material.add_nuclide( elemname + str(A), frac, 'ao' )
+                else:
+                    material.add_element( elemname, frac, 'ao' )
 
-        material._ncrystal_cfg = cfg
-        material._density_units = "g/cm3"
-        material._density = nc_mat.getDensity()
-        material.temperature = nc_mat.getTemperature()
+        material.set_density( 'g/cm3', nc_mat.getDensity() )
+        material._ncrystal_cfg = NCrystal.normaliseCfg( cfg )
 
         return material
 
@@ -1186,7 +1215,7 @@ class Material(IDManagerMixin):
             if self._sab:
                 raise ValueError("NCrystal materials are not compatible with S(a,b).")
             if self._macroscopic is not None:
-                raise ValueError("NCrystal materials are not compatible macroscopic cross sections.")
+                raise ValueError("NCrystal materials are not compatible with macroscopic cross sections.")
 
             element.set("cfg", str(self._ncrystal_cfg))
 

From f2e807e942ed421cd03fc87823c579e47dfcce3c Mon Sep 17 00:00:00 2001
From: Thomas Kittelmann <thomas.kittelmann@ess.eu>
Date: Thu, 20 Oct 2022 13:26:45 +0200
Subject: [PATCH 1183/2654] Move NCrystalRNGWrapper data member into explicit
 private section as requested

---
 include/openmc/physics.h | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/include/openmc/physics.h b/include/openmc/physics.h
index 23995e7af..806297c4e 100644
--- a/include/openmc/physics.h
+++ b/include/openmc/physics.h
@@ -111,8 +111,6 @@ void split_particle(Particle& p);
 //==============================================================================
 
 class NCrystalRNGWrapper : public NCrystal::RNGStream {
-  uint64_t* openmc_seed_;
-
 public:
   constexpr NCrystalRNGWrapper(uint64_t* seed) noexcept : openmc_seed_(seed) {}
 
@@ -122,6 +120,8 @@ protected:
     return std::max<double>(
       std::numeric_limits<double>::min(), prn(openmc_seed_));
   }
+private:
+  uint64_t* openmc_seed_;
 };
 #endif
 

From aca4fcb42bbfb45bd3ded0f9f1bbf8b7107aa632 Mon Sep 17 00:00:00 2001
From: Thomas Kittelmann <thomas.kittelmann@ess.eu>
Date: Fri, 21 Oct 2022 10:30:05 +0200
Subject: [PATCH 1184/2654] NCrystal cfgstr printout now mentions material ID

---
 src/material.cpp | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/src/material.cpp b/src/material.cpp
index 9531e9f43..32f5f2e86 100644
--- a/src/material.cpp
+++ b/src/material.cpp
@@ -63,7 +63,7 @@ Material::Material(pugi::xml_node node)
 #ifdef NCRYSTAL
   if (check_for_node(node, "cfg")) {
     ncrystal_cfg_ = get_node_value(node, "cfg");
-    write_message(5, "NCrystal config string: '{}'", ncrystal_cfg_);
+    write_message(5, "NCrystal config string for material #{}: '{}'", this->id(), ncrystal_cfg_);
     ncrystal_mat_ = NCrystal::FactImpl::createScatter(ncrystal_cfg_);
   }
 #endif

From b0743dfdea203372844e3d4901d8d0f8b2150b0c Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Fri, 21 Oct 2022 11:56:21 +0200
Subject: [PATCH 1185/2654] fixed cv.check_type origin

---
 openmc/mesh.py | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index da00750c1..807886988 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -1096,7 +1096,7 @@ class CylindricalMesh(StructuredMesh):
 
     @origin.setter
     def origin(self, coords):
-        cv.check_type('mesh r_grid', coords, Iterable, Real)
+        cv.check_type('mesh origin', coords, Iterable, Real)
         self._origin = np.asarray(coords)
 
     @r_grid.setter
@@ -1418,7 +1418,7 @@ class SphericalMesh(StructuredMesh):
 
     @origin.setter
     def origin(self, coords):
-        cv.check_type('mesh r_grid', coords, Iterable, Real)
+        cv.check_type('mesh origin', coords, Iterable, Real)
         self._origin = np.asarray(coords)
 
     @r_grid.setter

From 3347aeaa032ffa4668e6d149e5400d9d16dd2d7e Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 21 Oct 2022 07:07:44 -0500
Subject: [PATCH 1186/2654] Fixes related to #2253 and #2270

---
 include/openmc/constants.h |  5 -----
 src/output.cpp             |  7 ++++---
 src/volume_calc.cpp        | 11 +++++------
 3 files changed, 9 insertions(+), 14 deletions(-)

diff --git a/include/openmc/constants.h b/include/openmc/constants.h
index 8bb2cb1bf..a1cc2939c 100644
--- a/include/openmc/constants.h
+++ b/include/openmc/constants.h
@@ -340,11 +340,6 @@ enum class RunMode {
 
 enum class GeometryType { CSG, DAG };
 
-//==============================================================================
-// Volume Calculation Constants
-
-constexpr uint64_t UINT64_T_MAX {std::numeric_limits<uint64_t>::max()};
-
 } // namespace openmc
 
 #endif // OPENMC_CONSTANTS_H
diff --git a/src/output.cpp b/src/output.cpp
index 59cb15712..18efed656 100644
--- a/src/output.cpp
+++ b/src/output.cpp
@@ -1,8 +1,8 @@
 #include "openmc/output.h"
 
 #include <algorithm> // for transform, max
-#include <cstring>   // for strlen
 #include <cstdio>    // for stdout
+#include <cstring>   // for strlen
 #include <ctime>     // for time, localtime
 #include <fstream>
 #include <iomanip> // for setw, setprecision, put_time
@@ -134,9 +134,10 @@ void header(const char* msg, int level)
   auto out = header(msg);
 
   // Print header based on verbosity level.
-  if (settings::verbosity >= level)
+  if (settings::verbosity >= level) {
     fmt::print("\n{}\n\n", out);
     std::fflush(stdout);
+  }
 }
 
 //==============================================================================
@@ -396,7 +397,7 @@ void print_build_info()
     fmt::print("DAGMC support:         {}\n", dagmc);
     fmt::print("libMesh support:       {}\n", libmesh);
     fmt::print("Coverage testing:      {}\n", coverage);
-    fmt::print("Profiling flags:         {}\n", profiling);
+    fmt::print("Profiling flags:       {}\n", profiling);
   }
 }
 
diff --git a/src/volume_calc.cpp b/src/volume_calc.cpp
index e36b88904..0b1ea3575 100644
--- a/src/volume_calc.cpp
+++ b/src/volume_calc.cpp
@@ -225,12 +225,11 @@ vector<VolumeCalculation::Result> VolumeCalculation::execute() const
     iterations++;
     uint64_t total_samples = iterations * n_samples_;
 
-    // warn user if total sample size is greater than what the size_t type can
+    // warn user if total sample size is greater than what the uin64_t type can
     // represent
-    if (total_samples == UINT64_T_MAX) {
+    if (total_samples == std::numeric_limits<uint64_t>::max()) {
       warning("The number of samples has exceeded the type used to track hits. "
-              "Volume "
-              "results may be inaccurate.");
+              "Volume results may be inaccurate.");
     }
 
     // reset
@@ -246,8 +245,8 @@ vector<VolumeCalculation::Result> VolumeCalculation::execute() const
       // Create 2D array to store atoms/uncertainty for each nuclide. Later this
       // is compressed into vectors storing only those nuclides that are
       // non-zero
-      auto n_nuc = settings::run_CE ? data::nuclides.size()
-                                    : data::mg.nuclides_.size();
+      auto n_nuc =
+        settings::run_CE ? data::nuclides.size() : data::mg.nuclides_.size();
       xt::xtensor<double, 2> atoms({n_nuc, 2}, 0.0);
 
 #ifdef OPENMC_MPI

From a0e5ba441865309aeca84ad87604002e5fba99a8 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 18 Oct 2022 13:34:30 -0500
Subject: [PATCH 1187/2654] Add 0.13.2 release notes

---
 docs/source/io_formats/statepoint.rst |  3 +-
 docs/source/pythonapi/stats.rst       |  6 ++
 docs/source/releasenotes/0.14.0.rst   | 99 +++++++++++++++++++++++++++
 docs/source/releasenotes/index.rst    |  1 +
 openmc/material.py                    |  4 ++
 openmc/universe.py                    |  9 ++-
 6 files changed, 120 insertions(+), 2 deletions(-)
 create mode 100644 docs/source/releasenotes/0.14.0.rst

diff --git a/docs/source/io_formats/statepoint.rst b/docs/source/io_formats/statepoint.rst
index a05034a2d..9a08eed73 100644
--- a/docs/source/io_formats/statepoint.rst
+++ b/docs/source/io_formats/statepoint.rst
@@ -109,7 +109,8 @@ The current version of the statepoint file format is 17.0.
            - **y** (*double[]*) -- Interpolant values for energyfunction
              interpolation. Only used for 'energyfunction' filters.
 
-             :Attributes: - **interpolation** (*int*) -- Interpolation type. Only used for
+             :Attributes:
+                          - **interpolation** (*int*) -- Interpolation type. Only used for
                             'energyfunction' filters.
 
 **/tallies/derivatives/derivative <id>/**
diff --git a/docs/source/pythonapi/stats.rst b/docs/source/pythonapi/stats.rst
index 10be9454f..fb6383fc7 100644
--- a/docs/source/pythonapi/stats.rst
+++ b/docs/source/pythonapi/stats.rst
@@ -22,6 +22,12 @@ Univariate Probability Distributions
    openmc.stats.Legendre
    openmc.stats.Mixture
    openmc.stats.Normal
+
+.. autosummary::
+   :toctree: generated
+   :nosignatures:
+   :template: myfunction.rst
+
    openmc.stats.muir
 
 Angular Distributions
diff --git a/docs/source/releasenotes/0.14.0.rst b/docs/source/releasenotes/0.14.0.rst
new file mode 100644
index 000000000..a1f84adb5
--- /dev/null
+++ b/docs/source/releasenotes/0.14.0.rst
@@ -0,0 +1,99 @@
+====================
+What's New in 0.14.0
+====================
+
+.. currentmodule:: openmc
+
+-------
+Summary
+-------
+
+This release of OpenMC includes several bug fixes, performance improvements for
+complex geometries and depletion simulations, and other general enhancements.
+Notably, a capability has been added to compute the photon spectra from decay of
+unstable nuclides. Alongside that, a new :data:`openmc.config` configuration
+variable has been introduced that allows easier configuration of data sources.
+Additionally, users can now perform cell or material rejection when sampling
+external source distributions. Finally,
+
+------------------------------------
+Compatibility Notes and Deprecations
+------------------------------------
+
+- If you are building against libMesh for unstructured mesh tally support,
+  version 1.6 or higher is now required.
+- The ``openmc.stats.Muir`` class has been replaced by a
+  :func:`openmc.stats.muir` function that returns an instance of
+  :class:`openmc.stats.Normal`.
+
+------------
+New Features
+------------
+
+- The :meth:`openmc.Material.get_nuclide_atom_densities` method now takes an
+  optional ``nuclide`` argument.
+- Functions/methods in the :mod:`openmc.deplete` module now accept times in
+  Julian years (``'a'``).
+- The :meth:`openmc.Universe.plot` method now allows a pre-existing axes object
+  to be passed in.
+- Performance optimization for geometries with many complex regions.
+- Performance optimization for depletion by avoiding deepcopies and caching
+  reaction rates.
+- The :class:`openmc.RegularMesh` class now has a
+  :meth:`~openmc.RegularMesh.from_domain` classmethod.
+- The :class:`openmc.CylindricalMesh` class now has a
+  :meth:`~openmc.CylindricalMesh.from_domain` classmethod.
+- Improved method to condense diffusion coefficients from the :mod:`openmc.mgxs`
+  module.
+- A new :data:`openmc.config` configuration variable has been introduced that
+  allows data sources to be specified at runtime or via environment variables.
+- The :class:`openmc.EnergyFunctionFilter` class now supports multiple
+  interpolation schemes, not just linear-linear interpolation.
+- The :class:`openmc.DAGMCUniverse` class now has ``material_names``,
+  ``n_cells``, and ``n_surfaces`` attributes.
+- A new :func:`openmc.data.decay_photon_energy` function has been added that
+  returns the energy spectrum of photons emitted from the decay of an unstable
+  nuclide.
+- The :class:`openmc.Material` class also has a new
+  :attr:`~openmc.Material.decay_photon_energy` attribute that gives the decay
+  photon energy spectrum from the material based on its constituent nuclides.
+- The :class:`openmc.deplete.StepResult` now has a
+  :meth:`~openmc.deplete.StepResult.get_material` method.
+- The :class:`openmc.Source` class now takes a ``domains`` argument that
+  specifies a list of cells, materials, or universes that is used to reject
+  source sites (i.e., if the sampled sites are not within the specified domain,
+  they are rejected).
+
+---------
+Bug Fixes
+---------
+
+- `Delay call to Tally::set_strides <https://github.com/openmc-dev/openmc/pull/2183>`
+- `Fix reading reference direction from XML for angular distributions <https://github.com/openmc-dev/openmc/pull/2204>`_
+- `Fix erroneous behavior in Material.add_components <https://github.com/openmc-dev/openmc/pull/2205>`_
+- `Fix reading thermal elastic data from ACE <https://github.com/openmc-dev/openmc/pull/2226>`_
+- `Fix reading source file with time attribute <https://github.com/openmc-dev/openmc/pull/2228>`_
+- `Fix conversion of multiple thermal scattering data files from ACE <https://github.com/openmc-dev/openmc/pull/2232>`_
+- `Fix reading values from wwinp file <https://github.com/openmc-dev/openmc/pull/2242>`_
+- `Handle possibility of .ppm file in Universe.plot <https://github.com/openmc-dev/openmc/pull/2251>`_
+- `Update volume calc types to mitigate overflow issues <https://github.com/openmc-dev/openmc/pull/2270>`_
+
+------------
+Contributors
+------------
+
+- `Lewis Gross <https://github.com/lewisgross1296>`_
+- `Andrew Johnson <https://github.com/drewejohnson>`_
+- `Miriam Kreher <https://github.com/mkreher13>`_
+- `James Logan <https://github.com/jlogan03>`_
+- `Jose Ignacio Marquez Damien <https://github.com/marquezj>`_
+- `Josh May <https://github.com/joshmay1>`_
+- `Patrick Myers <https://github.com/myerspat>`_
+- `Adam Nelson <https://github.com/nelsonag>`_
+- `April Novak <https://github.com/aprilnovak>`_
+- `Ethan Peterson <https://github.com/eepeterson>`_
+- `Gavin Ridley <https://github.com/gridley>`_
+- `Paul Romano <https://github.com/paulromano>`_
+- `Patrick Shriwise <https://github.com/pshriwise>`_
+- `Jonathan Shimwell <https://github.com/Shimwell>`_
+- `Olek Yardas <https://github.com/yardasol>`_
diff --git a/docs/source/releasenotes/index.rst b/docs/source/releasenotes/index.rst
index 34ddb285a..5753c8bae 100644
--- a/docs/source/releasenotes/index.rst
+++ b/docs/source/releasenotes/index.rst
@@ -7,6 +7,7 @@ Release Notes
 .. toctree::
   :maxdepth: 1
 
+  0.14.0
   0.13.1
   0.13.0
   0.12.2
diff --git a/openmc/material.py b/openmc/material.py
index e99eec52c..652ee89a9 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -825,6 +825,8 @@ class Material(IDManagerMixin):
         element : str
             Specifies the element to match when searching through the nuclides
 
+            .. versionadded:: 0.14.0
+
         Returns
         -------
         nuclides : list of str
@@ -877,6 +879,8 @@ class Material(IDManagerMixin):
             Nuclide for which atom density is desired. If not specified, the
             atom density for each nuclide in the material is given.
 
+            .. versionadded:: 0.14.0
+
         Returns
         -------
         nuclides : dict
diff --git a/openmc/universe.py b/openmc/universe.py
index db828e33c..b74d98adb 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -650,19 +650,26 @@ class DAGMCUniverse(UniverseBase):
     bounding_box : 2-tuple of numpy.array
         Lower-left and upper-right coordinates of an axis-aligned bounding box
         of the universe.
+
+        .. versionadded:: 0.13.1
     material_names : list of str
         Return a sorted list of materials names that are contained within the
         DAGMC h5m file. This is useful when naming openmc.Material() objects
         as each material name present in the DAGMC h5m file must have a
         matching openmc.Material() with the same name.
+
+        .. versionadded:: 0.14.0
     n_cells : int
         The number of cells in the DAGMC model. This is the number of cells at
         runtime and accounts for the implicit complement whether or not is it
         present in the DAGMC file.
+
+        .. versionadded:: 0.14.0
     n_surfaces : int
         The number of surfaces in the model.
 
-        .. versionadded:: 0.13.1
+        .. versionadded:: 0.14.0
+
     """
 
     def __init__(self,

From 53b6d8ab11a300b8c8a373d5a62e558f90b5dade Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 19 Oct 2022 08:04:50 -0500
Subject: [PATCH 1188/2654] Change 0.14.0 --> 0.13.2

---
 CMakeLists.txt                                      | 4 ++--
 docs/source/conf.py                                 | 4 ++--
 docs/source/releasenotes/{0.14.0.rst => 0.13.2.rst} | 2 +-
 docs/source/releasenotes/index.rst                  | 2 +-
 openmc/__init__.py                                  | 2 +-
 openmc/data/decay.py                                | 2 +-
 openmc/deplete/stepresult.py                        | 2 +-
 openmc/material.py                                  | 6 +++---
 openmc/stats/univariate.py                          | 2 +-
 openmc/universe.py                                  | 6 +++---
 10 files changed, 16 insertions(+), 16 deletions(-)
 rename docs/source/releasenotes/{0.14.0.rst => 0.13.2.rst} (99%)

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 04c712a17..3fb04850c 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -3,8 +3,8 @@ project(openmc C CXX)
 
 # Set version numbers
 set(OPENMC_VERSION_MAJOR 0)
-set(OPENMC_VERSION_MINOR 14)
-set(OPENMC_VERSION_RELEASE 0)
+set(OPENMC_VERSION_MINOR 13)
+set(OPENMC_VERSION_RELEASE 2)
 set(OPENMC_VERSION ${OPENMC_VERSION_MAJOR}.${OPENMC_VERSION_MINOR}.${OPENMC_VERSION_RELEASE})
 configure_file(include/openmc/version.h.in "${CMAKE_BINARY_DIR}/include/openmc/version.h" @ONLY)
 
diff --git a/docs/source/conf.py b/docs/source/conf.py
index 98ccdee44..29b5ae84c 100644
--- a/docs/source/conf.py
+++ b/docs/source/conf.py
@@ -69,9 +69,9 @@ copyright = '2011-2022, Massachusetts Institute of Technology, UChicago Argonne
 # built documents.
 #
 # The short X.Y version.
-version = "0.14"
+version = "0.13"
 # The full version, including alpha/beta/rc tags.
-release = "0.14.0"
+release = "0.13.2"
 
 # The language for content autogenerated by Sphinx. Refer to documentation
 # for a list of supported languages.
diff --git a/docs/source/releasenotes/0.14.0.rst b/docs/source/releasenotes/0.13.2.rst
similarity index 99%
rename from docs/source/releasenotes/0.14.0.rst
rename to docs/source/releasenotes/0.13.2.rst
index a1f84adb5..e00a02bae 100644
--- a/docs/source/releasenotes/0.14.0.rst
+++ b/docs/source/releasenotes/0.13.2.rst
@@ -1,5 +1,5 @@
 ====================
-What's New in 0.14.0
+What's New in 0.13.2
 ====================
 
 .. currentmodule:: openmc
diff --git a/docs/source/releasenotes/index.rst b/docs/source/releasenotes/index.rst
index 5753c8bae..910737a41 100644
--- a/docs/source/releasenotes/index.rst
+++ b/docs/source/releasenotes/index.rst
@@ -7,7 +7,7 @@ Release Notes
 .. toctree::
   :maxdepth: 1
 
-  0.14.0
+  0.13.2
   0.13.1
   0.13.0
   0.12.2
diff --git a/openmc/__init__.py b/openmc/__init__.py
index 214695e67..bee851ae1 100644
--- a/openmc/__init__.py
+++ b/openmc/__init__.py
@@ -38,4 +38,4 @@ from .config import *
 from openmc.model import rectangular_prism, hexagonal_prism, Model
 
 
-__version__ = '0.14.0-dev'
+__version__ = '0.13.2-dev'
diff --git a/openmc/data/decay.py b/openmc/data/decay.py
index 29574e001..8268d4a36 100644
--- a/openmc/data/decay.py
+++ b/openmc/data/decay.py
@@ -587,7 +587,7 @@ def decay_photon_energy(nuclide: str) -> Optional[Univariate]:
     for the first time, you need to ensure that a depletion chain has been
     specified in openmc.config['chain_file'].
 
-    .. versionadded:: 0.14.0
+    .. versionadded:: 0.13.2
 
     Parameters
     ----------
diff --git a/openmc/deplete/stepresult.py b/openmc/deplete/stepresult.py
index e462f1754..c8b35a1fa 100644
--- a/openmc/deplete/stepresult.py
+++ b/openmc/deplete/stepresult.py
@@ -202,7 +202,7 @@ class StepResult:
     def get_material(self, mat_id):
         """Return material object for given depleted composition
 
-        .. versionadded:: 0.14.0
+        .. versionadded:: 0.13.2
 
         Parameters
         ----------
diff --git a/openmc/material.py b/openmc/material.py
index 652ee89a9..1979b3958 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -98,7 +98,7 @@ class Material(IDManagerMixin):
         this distribution is the total intensity of the photon source in
         [decay/sec].
 
-        .. versionadded:: 0.14.0
+        .. versionadded:: 0.13.2
 
     """
 
@@ -825,7 +825,7 @@ class Material(IDManagerMixin):
         element : str
             Specifies the element to match when searching through the nuclides
 
-            .. versionadded:: 0.14.0
+            .. versionadded:: 0.13.2
 
         Returns
         -------
@@ -879,7 +879,7 @@ class Material(IDManagerMixin):
             Nuclide for which atom density is desired. If not specified, the
             atom density for each nuclide in the material is given.
 
-            .. versionadded:: 0.14.0
+            .. versionadded:: 0.13.2
 
         Returns
         -------
diff --git a/openmc/stats/univariate.py b/openmc/stats/univariate.py
index 28f60de6d..de8d08ded 100644
--- a/openmc/stats/univariate.py
+++ b/openmc/stats/univariate.py
@@ -729,7 +729,7 @@ def muir(e0, m_rat, kt):
     distribution: the mean energy of particles ``e0``, the mass of reactants
     ``m_rat``, and the ion temperature ``kt``.
 
-    .. versionadded:: 0.14.0
+    .. versionadded:: 0.13.2
 
     Parameters
     ----------
diff --git a/openmc/universe.py b/openmc/universe.py
index b74d98adb..94ea5624a 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -658,17 +658,17 @@ class DAGMCUniverse(UniverseBase):
         as each material name present in the DAGMC h5m file must have a
         matching openmc.Material() with the same name.
 
-        .. versionadded:: 0.14.0
+        .. versionadded:: 0.13.2
     n_cells : int
         The number of cells in the DAGMC model. This is the number of cells at
         runtime and accounts for the implicit complement whether or not is it
         present in the DAGMC file.
 
-        .. versionadded:: 0.14.0
+        .. versionadded:: 0.13.2
     n_surfaces : int
         The number of surfaces in the model.
 
-        .. versionadded:: 0.14.0
+        .. versionadded:: 0.13.2
 
     """
 

From 6d499fa0c0c343764550ae95f0314fd68ef29861 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 19 Oct 2022 11:17:39 -0500
Subject: [PATCH 1189/2654] Fix missing underscore in release notes

---
 docs/source/releasenotes/0.13.2.rst | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/docs/source/releasenotes/0.13.2.rst b/docs/source/releasenotes/0.13.2.rst
index e00a02bae..e9175358b 100644
--- a/docs/source/releasenotes/0.13.2.rst
+++ b/docs/source/releasenotes/0.13.2.rst
@@ -68,7 +68,7 @@ New Features
 Bug Fixes
 ---------
 
-- `Delay call to Tally::set_strides <https://github.com/openmc-dev/openmc/pull/2183>`
+- `Delay call to Tally::set_strides <https://github.com/openmc-dev/openmc/pull/2183>`_
 - `Fix reading reference direction from XML for angular distributions <https://github.com/openmc-dev/openmc/pull/2204>`_
 - `Fix erroneous behavior in Material.add_components <https://github.com/openmc-dev/openmc/pull/2205>`_
 - `Fix reading thermal elastic data from ACE <https://github.com/openmc-dev/openmc/pull/2226>`_

From 2e433653cce277bd58400c1641d236be88b41a35 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 19 Oct 2022 09:42:16 -0500
Subject: [PATCH 1190/2654] Avoid warning message on clang

---
 src/source.cpp | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/src/source.cpp b/src/source.cpp
index fc50115cd..d201e3c03 100644
--- a/src/source.cpp
+++ b/src/source.cpp
@@ -224,7 +224,8 @@ SourceSite IndependentSource::sample(uint64_t* seed) const
             auto id = (domain_type_ == DomainType::CELL)
                         ? model::cells[coord.cell]->id_
                         : model::universes[coord.universe]->id_;
-            if (found = contains(domain_ids_, id)) break;
+            if ((found = contains(domain_ids_, id)))
+              break;
           }
         }
       }

From 4fd665c008dcc2467d652c4ffedfd5ac88a87d27 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 19 Oct 2022 09:43:35 -0500
Subject: [PATCH 1191/2654] Remove -dev on version number

---
 include/openmc/version.h.in | 2 +-
 openmc/__init__.py          | 2 +-
 2 files changed, 2 insertions(+), 2 deletions(-)

diff --git a/include/openmc/version.h.in b/include/openmc/version.h.in
index e1c2b0541..a518e0d63 100644
--- a/include/openmc/version.h.in
+++ b/include/openmc/version.h.in
@@ -10,7 +10,7 @@ namespace openmc {
 constexpr int VERSION_MAJOR {@OPENMC_VERSION_MAJOR@};
 constexpr int VERSION_MINOR {@OPENMC_VERSION_MINOR@};
 constexpr int VERSION_RELEASE {@OPENMC_VERSION_RELEASE@};
-constexpr bool VERSION_DEV {true};
+constexpr bool VERSION_DEV {false};
 constexpr std::array<int, 3> VERSION {VERSION_MAJOR, VERSION_MINOR, VERSION_RELEASE};
 // clang-format on
 
diff --git a/openmc/__init__.py b/openmc/__init__.py
index bee851ae1..ca21bf17b 100644
--- a/openmc/__init__.py
+++ b/openmc/__init__.py
@@ -38,4 +38,4 @@ from .config import *
 from openmc.model import rectangular_prism, hexagonal_prism, Model
 
 
-__version__ = '0.13.2-dev'
+__version__ = '0.13.2'

From a3dd55d8bc4b28323b73e9a36c52f950db6ea1fb Mon Sep 17 00:00:00 2001
From: Thomas Kittelmann <thomas.kittelmann@ess.eu>
Date: Fri, 21 Oct 2022 15:04:57 +0200
Subject: [PATCH 1192/2654] first stab at gha-install-ncrystal.sh

---
 tools/ci/gha-install-ncrystal.sh | 62 ++++++++++++++++++++++++++++++++
 1 file changed, 62 insertions(+)
 create mode 100755 tools/ci/gha-install-ncrystal.sh

diff --git a/tools/ci/gha-install-ncrystal.sh b/tools/ci/gha-install-ncrystal.sh
new file mode 100755
index 000000000..c18087f23
--- /dev/null
+++ b/tools/ci/gha-install-ncrystal.sh
@@ -0,0 +1,62 @@
+#!/bin/bash
+set -ex
+cd $HOME
+
+#Use the NCrystal develop branch (in the near future we can move this to master):
+git clone https://github.com/mctools/ncrystal --branch develop --single-branch --depth 1 ncrystal_src
+
+SRC_DIR="$PWD/ncrystal_src"
+BLD_DIR="$PWD/ncrystal_bld"
+INST_DIR="$PWD/ncrystal_inst"
+PYTHON=$(which python3)
+
+CPU_COUNT=1
+
+mkdir "$BLD_DIR"
+cd ncrystal_bld
+
+#cmake -Dstatic=on .. && make 2>/dev/null && sudo make install
+
+cmake \
+    "${SRC_DIR}" \
+    -DBUILD_SHARED_LIBS=ON \
+    -DNCRYSTAL_NOTOUCH_CMAKE_BUILD_TYPE=ON \
+    -DMODIFY_RPATH=OFF \
+    -DCMAKE_BUILD_TYPE=Release \
+    -DBUILD_EXAMPLES=OFF \
+    -DINSTALL_SETUPSH=OFF \
+    -DEMBED_DATA=ON \
+    -DINSTALL_DATA=OFF \
+    -DNO_DIRECT_PYMODINST=ON \
+    -DPython3_EXECUTABLE="$PYTHON"
+
+make -j${CPU_COUNT:-1}
+make install
+
+#Note: There is no "make test" or "make ctest" functionality for NCrystal
+#      yet. If it appears in the future, we should add it here.
+
+
+#The next stuff is not pretty, but it is needed as a temporary
+#workaround until NCrystal add better support for system-wide
+#installations in CMake:
+
+cat <<EOF > ./findncrystallib.py
+import pathlib
+libname = pathlib.Path('./cfg_ncrystal_libname.txt').read_text().strip()
+libs = list(pathlib.Path("/usr").glob("**/lib*/**/%s"%libname))
+assert len(libs)==1
+pathlib.Path('ncrystal_liblocation.txt').write_text(str(libs[0]))
+EOF
+
+python3 ./findncrystallib.py
+
+TMPNCRYSTALLIBLOCATION=$(cat ./ncrystal_liblocation.txt)
+
+cat <<EOF > ./ncrystal_pypkg/NCrystal/_nclibpath.py
+#File autogenerated for working with systemwide install of NCrystal:
+import pathlib
+liblocation = pathlib.Path('${TMPNCRYSTALLIBLOCATION}'.strip())
+EOF
+
+$PYTHON -m pip install ./ncrystal_pypkg/ -vv

From b874d83634962c9e1fcae2d0ffc360437e11abf5 Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Fri, 21 Oct 2022 15:55:08 +0200
Subject: [PATCH 1193/2654] only translate when origin is not 0, 0, 0

---
 openmc/mesh.py | 14 ++++++++------
 1 file changed, 8 insertions(+), 6 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 807886988..b4cd04d51 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -1322,9 +1322,10 @@ class CylindricalMesh(StructuredMesh):
         pts_cartesian[:, 1] = r * np.sin(phi)
 
         # offset with origin
-        pts_cartesian[:, 0] = pts_cartesian[:, 0] + self.origin[0]
-        pts_cartesian[:, 1] = pts_cartesian[:, 1] + self.origin[1]
-        pts_cartesian[:, 2] = pts_cartesian[:, 2] + self.origin[2]
+        if self.origin != [0.0, 0.0, 0.0]:
+            pts_cartesian[:, 0] = pts_cartesian[:, 0] + self.origin[0]
+            pts_cartesian[:, 1] = pts_cartesian[:, 1] + self.origin[1]
+            pts_cartesian[:, 2] = pts_cartesian[:, 2] + self.origin[2]
 
         return super().write_data_to_vtk(
             points=pts_cartesian,
@@ -1576,9 +1577,10 @@ class SphericalMesh(StructuredMesh):
         pts_cartesian[:, 2] = r * np.cos(phi)
 
         # offset with origin
-        pts_cartesian[:, 0] = pts_cartesian[:, 0] + self.origin[0]
-        pts_cartesian[:, 1] = pts_cartesian[:, 1] + self.origin[1]
-        pts_cartesian[:, 2] = pts_cartesian[:, 2] + self.origin[2]
+        if self.origin != [0.0, 0.0, 0.0]:
+            pts_cartesian[:, 0] = pts_cartesian[:, 0] + self.origin[0]
+            pts_cartesian[:, 1] = pts_cartesian[:, 1] + self.origin[1]
+            pts_cartesian[:, 2] = pts_cartesian[:, 2] + self.origin[2]
 
         return super().write_data_to_vtk(
             points=pts_cartesian,

From 1f973e1ebee9db7b8ce3a52ae3e9b6e8580758f9 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 21 Oct 2022 11:47:36 -0500
Subject: [PATCH 1194/2654] Change version number to 0.13.3-dev

---
 CMakeLists.txt              | 2 +-
 docs/source/conf.py         | 2 +-
 include/openmc/version.h.in | 2 +-
 openmc/__init__.py          | 2 +-
 4 files changed, 4 insertions(+), 4 deletions(-)

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 3fb04850c..317fd57a2 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -4,7 +4,7 @@ project(openmc C CXX)
 # Set version numbers
 set(OPENMC_VERSION_MAJOR 0)
 set(OPENMC_VERSION_MINOR 13)
-set(OPENMC_VERSION_RELEASE 2)
+set(OPENMC_VERSION_RELEASE 3)
 set(OPENMC_VERSION ${OPENMC_VERSION_MAJOR}.${OPENMC_VERSION_MINOR}.${OPENMC_VERSION_RELEASE})
 configure_file(include/openmc/version.h.in "${CMAKE_BINARY_DIR}/include/openmc/version.h" @ONLY)
 
diff --git a/docs/source/conf.py b/docs/source/conf.py
index 29b5ae84c..f08333279 100644
--- a/docs/source/conf.py
+++ b/docs/source/conf.py
@@ -71,7 +71,7 @@ copyright = '2011-2022, Massachusetts Institute of Technology, UChicago Argonne
 # The short X.Y version.
 version = "0.13"
 # The full version, including alpha/beta/rc tags.
-release = "0.13.2"
+release = "0.13.3"
 
 # The language for content autogenerated by Sphinx. Refer to documentation
 # for a list of supported languages.
diff --git a/include/openmc/version.h.in b/include/openmc/version.h.in
index a518e0d63..e1c2b0541 100644
--- a/include/openmc/version.h.in
+++ b/include/openmc/version.h.in
@@ -10,7 +10,7 @@ namespace openmc {
 constexpr int VERSION_MAJOR {@OPENMC_VERSION_MAJOR@};
 constexpr int VERSION_MINOR {@OPENMC_VERSION_MINOR@};
 constexpr int VERSION_RELEASE {@OPENMC_VERSION_RELEASE@};
-constexpr bool VERSION_DEV {false};
+constexpr bool VERSION_DEV {true};
 constexpr std::array<int, 3> VERSION {VERSION_MAJOR, VERSION_MINOR, VERSION_RELEASE};
 // clang-format on
 
diff --git a/openmc/__init__.py b/openmc/__init__.py
index ca21bf17b..f9abe5dc1 100644
--- a/openmc/__init__.py
+++ b/openmc/__init__.py
@@ -38,4 +38,4 @@ from .config import *
 from openmc.model import rectangular_prism, hexagonal_prism, Model
 
 
-__version__ = '0.13.2'
+__version__ = '0.13.3-dev'

From 1a7066a885a8ad5e01d9971fc3e885612e9ca7f3 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Fri, 21 Oct 2022 18:38:44 +0100
Subject: [PATCH 1195/2654] added type hints for source.py

---
 openmc/source.py | 40 +++++++++++++++++++++++++++++++++-------
 1 file changed, 33 insertions(+), 7 deletions(-)

diff --git a/openmc/source.py b/openmc/source.py
index 48e14f6f7..1fb9ee44b 100644
--- a/openmc/source.py
+++ b/openmc/source.py
@@ -2,6 +2,8 @@ from collections.abc import Iterable
 from enum import Enum
 from numbers import Real
 import warnings
+import typing  # imported separately as py3.8 requires typing.Iterable
+from typing import Optional, Union
 from xml.etree import ElementTree as ET
 
 import numpy as np
@@ -9,6 +11,7 @@ import h5py
 
 import openmc
 import openmc.checkvalue as cv
+from openmc.checkvalue import PathLike
 from openmc.stats.multivariate import UnitSphere, Spatial
 from openmc.stats.univariate import Univariate
 from ._xml import get_text
@@ -70,9 +73,19 @@ class Source:
 
     """
 
-    def __init__(self, space=None, angle=None, energy=None, time=None, filename=None,
-                 library=None, parameters=None, strength=1.0, particle='neutron',
-                 domains=None):
+    def __init__(
+        self,
+        space: Optional[openmc.stats.Spatial] = None,
+        angle: Optional[openmc.stats.Spatial] = None,
+        energy: Optional[openmc.stats.Univariate] = None,
+        time: Optional[openmc.stats.Univariate] = None,
+        filename: Optional[str] = None,
+        library: Optional[str] = None,
+        parameters: Optional[str] = None,
+        strength: float = 1.0,
+        particle: str = 'neutron',
+        domains: Optional[Union[openmc.Cell, openmc.Material, openmc.Universe]] = None
+    ):
         self._space = None
         self._angle = None
         self._energy = None
@@ -244,7 +257,7 @@ class Source:
         return element
 
     @classmethod
-    def from_xml_element(cls, elem):
+    def from_xml_element(cls, elem: ET.Element):
         """Generate source from an XML element
 
         Parameters
@@ -349,8 +362,18 @@ class SourceParticle:
         Type of the particle
 
     """
-    def __init__(self, r=(0., 0., 0.), u=(0., 0., 1.), E=1.0e6, time=0.0, wgt=1.0,
-                 delayed_group=0, surf_id=0, particle=ParticleType.NEUTRON):
+    def __init__(
+        self,
+        r: typing.Iterable[float, float, float] = (0., 0., 0.),
+        u: typing.Iterable[float, float, float] = (0., 0., 1.),
+        E: float = 1.0e6,
+        time: float = 0.0,
+        wgt: float = 1.0,
+        delayed_group: int = 0,
+        surf_id: int = 0,
+        particle: ParticleType = ParticleType.NEUTRON
+    ):
+
         self.r = tuple(r)
         self.u = tuple(u)
         self.E = float(E)
@@ -377,7 +400,10 @@ class SourceParticle:
                 self.delayed_group, self.surf_id, self.particle.value)
 
 
-def write_source_file(source_particles, filename, **kwargs):
+def write_source_file(
+    source_particles: typing.Iterable[openmc.SourceParticle],
+    filename: PathLike, **kwargs
+):
     """Write a source file using a collection of source particles
 
     Parameters

From 17a65520272f37c0de337d30c6c6f04c51923271 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Fri, 21 Oct 2022 18:47:07 +0100
Subject: [PATCH 1196/2654] added return types

---
 openmc/source.py | 6 +++---
 1 file changed, 3 insertions(+), 3 deletions(-)

diff --git a/openmc/source.py b/openmc/source.py
index 1fb9ee44b..0a6dc2016 100644
--- a/openmc/source.py
+++ b/openmc/source.py
@@ -222,7 +222,7 @@ class Source:
         cv.check_value('source particle', particle, ['neutron', 'photon'])
         self._particle = particle
 
-    def to_xml_element(self):
+    def to_xml_element(self) -> ET.Element:
         """Return XML representation of the source
 
         Returns
@@ -257,7 +257,7 @@ class Source:
         return element
 
     @classmethod
-    def from_xml_element(cls, elem: ET.Element):
+    def from_xml_element(cls, elem: ET.Element) -> openmc.Source:
         """Generate source from an XML element
 
         Parameters
@@ -387,7 +387,7 @@ class SourceParticle:
         name = self.particle.name.lower()
         return f'<SourceParticle: {name} at E={self.E:.6e} eV>'
 
-    def to_tuple(self):
+    def to_tuple(self) -> tuple:
         """Return source particle attributes as a tuple
 
         Returns

From 4116f6cda0b8a1d18741bb89f08aeca7f88510af Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Fri, 21 Oct 2022 19:04:45 +0100
Subject: [PATCH 1197/2654] used forwards ref to avoid circlar imports

---
 openmc/source.py | 12 ++++++------
 1 file changed, 6 insertions(+), 6 deletions(-)

diff --git a/openmc/source.py b/openmc/source.py
index 0a6dc2016..05954da77 100644
--- a/openmc/source.py
+++ b/openmc/source.py
@@ -3,7 +3,7 @@ from enum import Enum
 from numbers import Real
 import warnings
 import typing  # imported separately as py3.8 requires typing.Iterable
-from typing import Optional, Union
+from typing import Optional, Union, Tuple
 from xml.etree import ElementTree as ET
 
 import numpy as np
@@ -84,7 +84,7 @@ class Source:
         parameters: Optional[str] = None,
         strength: float = 1.0,
         particle: str = 'neutron',
-        domains: Optional[Union[openmc.Cell, openmc.Material, openmc.Universe]] = None
+        domains: Optional[Union[openmc.Cell, openmc.Material, 'openmc.Universe']] = None
     ):
         self._space = None
         self._angle = None
@@ -257,7 +257,7 @@ class Source:
         return element
 
     @classmethod
-    def from_xml_element(cls, elem: ET.Element) -> openmc.Source:
+    def from_xml_element(cls, elem: ET.Element) -> 'openmc.Source':
         """Generate source from an XML element
 
         Parameters
@@ -364,8 +364,8 @@ class SourceParticle:
     """
     def __init__(
         self,
-        r: typing.Iterable[float, float, float] = (0., 0., 0.),
-        u: typing.Iterable[float, float, float] = (0., 0., 1.),
+        r: Tuple[float, float, float] = (0., 0., 0.),
+        u: Tuple[float, float, float] = (0., 0., 1.),
         E: float = 1.0e6,
         time: float = 0.0,
         wgt: float = 1.0,
@@ -401,7 +401,7 @@ class SourceParticle:
 
 
 def write_source_file(
-    source_particles: typing.Iterable[openmc.SourceParticle],
+    source_particles: 'typing.Iterable[openmc.SourceParticle]',
     filename: PathLike, **kwargs
 ):
     """Write a source file using a collection of source particles

From a9933c5ecf948bcbfbadb4b03156e5c2db2e5822 Mon Sep 17 00:00:00 2001
From: Ethan Peterson <ethan.peterson@mit.edu>
Date: Mon, 24 Oct 2022 13:23:15 -0400
Subject: [PATCH 1198/2654] bounds.reshape doesn't modify bounds it returns a
 new array

---
 openmc/weight_windows.py | 8 ++++----
 1 file changed, 4 insertions(+), 4 deletions(-)

diff --git a/openmc/weight_windows.py b/openmc/weight_windows.py
index eb30e838a..7e5f41bb1 100644
--- a/openmc/weight_windows.py
+++ b/openmc/weight_windows.py
@@ -206,9 +206,9 @@ class WeightWindows(IDManagerMixin):
         # reshape data according to mesh and energy bins
         bounds = np.asarray(bounds)
         if isinstance(self.mesh, UnstructuredMesh):
-            bounds.reshape(-1, self.num_energy_bins)
+            bounds = bounds.reshape(-1, self.num_energy_bins)
         else:
-            bounds.reshape(*self.mesh.dimension, self.num_energy_bins)
+            bounds = bounds.reshape(*self.mesh.dimension, self.num_energy_bins)
         self._lower_ww_bounds = bounds
 
     @property
@@ -225,9 +225,9 @@ class WeightWindows(IDManagerMixin):
         # reshape data according to mesh and energy bins
         bounds = np.asarray(bounds)
         if isinstance(self.mesh, UnstructuredMesh):
-            bounds.reshape(-1, self.num_energy_bins)
+            bounds = bounds.reshape(-1, self.num_energy_bins)
         else:
-            bounds.reshape(*self.mesh.dimension, self.num_energy_bins)
+            bounds = bounds.reshape(*self.mesh.dimension, self.num_energy_bins)
         self._upper_ww_bounds = bounds
 
     @property

From 58b1a80b64011fc608232bed0522b991fbb93185 Mon Sep 17 00:00:00 2001
From: Olek <45364492+yardasol@users.noreply.github.com>
Date: Mon, 24 Oct 2022 13:02:09 -0500
Subject: [PATCH 1199/2654] small grammar fix in Settings.temperature docstring

---
 openmc/settings.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/settings.py b/openmc/settings.py
index ad5a9b28a..5aaebdfe4 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -188,7 +188,7 @@ class Settings:
         Kelvin. The value for 'method' should be 'nearest' or 'interpolation'.
         If the method is 'nearest', 'tolerance' indicates a range of temperature
         within which cross sections may be used. The value for 'range' should be
-        a pair a minimum and maximum temperatures which are used to indicate
+        a pair of a minimum and maximum temperature which are used to indicate
         that cross sections be loaded at all temperatures within the
         range. 'multipole' is a boolean indicating whether or not the windowed
         multipole method should be used to evaluate resolved resonance cross

From 3d26f1992c9389a7356051b0d379a88eb730c516 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Mon, 24 Oct 2022 19:13:22 +0100
Subject: [PATCH 1200/2654] added test for lower ww shape

---
 tests/unit_tests/weightwindows/test.py | 16 ++++++++++++++++
 1 file changed, 16 insertions(+)

diff --git a/tests/unit_tests/weightwindows/test.py b/tests/unit_tests/weightwindows/test.py
index d065ef6d2..51e2fdc62 100644
--- a/tests/unit_tests/weightwindows/test.py
+++ b/tests/unit_tests/weightwindows/test.py
@@ -195,3 +195,19 @@ def test_weightwindows(model):
 
         compare_results('neutron', analog_tally, ww_tally)
         compare_results('photon', analog_tally, ww_tally)
+
+
+def test_lower_ww_bounds_shape():
+    """checks that lower_ww_bounds is reshaped to the mesh dimension when set"""
+    ww_mesh = openmc.RegularMesh()
+    ww_mesh.lower_left = (-10, -10, -10)
+    ww_mesh.upper_right = (10, 10, 10)
+    ww_mesh.dimension = (2, 3, 4)
+
+    ww = openmc.WeightWindows(
+        mesh=ww_mesh,
+        lower_ww_bounds=[1]*24,
+        upper_bound_ratio=5,
+        energy_bounds=(1, 1e40)
+    )
+    assert ww.lower_ww_bounds.shape == (2, 3, 4, 1)

From 89ba5afb6ccd4c6e81824b149b29a8d734e98b36 Mon Sep 17 00:00:00 2001
From: Olek <45364492+yardasol@users.noreply.github.com>
Date: Mon, 24 Oct 2022 13:36:36 -0500
Subject: [PATCH 1201/2654] Use @lewisgross1296 suggestion

Co-authored-by: Lewis Gross <43077972+lewisgross1296@users.noreply.github.com>
---
 openmc/settings.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/settings.py b/openmc/settings.py
index 5aaebdfe4..d60c6cb64 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -188,7 +188,7 @@ class Settings:
         Kelvin. The value for 'method' should be 'nearest' or 'interpolation'.
         If the method is 'nearest', 'tolerance' indicates a range of temperature
         within which cross sections may be used. The value for 'range' should be
-        a pair of a minimum and maximum temperature which are used to indicate
+        a pair of minimum and maximum temperatures which are used to indicate
         that cross sections be loaded at all temperatures within the
         range. 'multipole' is a boolean indicating whether or not the windowed
         multipole method should be used to evaluate resolved resonance cross

From d78433ad3dcf2dc648a81f3032e2b2a537a88f6b Mon Sep 17 00:00:00 2001
From: Ethan Peterson <ethan.peterson@mit.edu>
Date: Mon, 24 Oct 2022 16:47:34 -0400
Subject: [PATCH 1202/2654] reshape in from_xml and update inputs

---
 openmc/weight_windows.py                              | 5 +++++
 tests/regression_tests/weightwindows/inputs_true.dat  | 8 ++++----
 tests/regression_tests/weightwindows/results_true.dat | 2 +-
 3 files changed, 10 insertions(+), 5 deletions(-)

diff --git a/openmc/weight_windows.py b/openmc/weight_windows.py
index 7e5f41bb1..4088cb2d4 100644
--- a/openmc/weight_windows.py
+++ b/openmc/weight_windows.py
@@ -341,6 +341,11 @@ class WeightWindows(IDManagerMixin):
         particle_type = get_text(elem, 'particle_type')
         survival_ratio = float(get_text(elem, 'survival_ratio'))
 
+        ww_shape = (len(e_bounds) - 1,) + mesh.dimension[::-1]
+        print(ww_shape)
+        lower_ww_bounds = np.array(lower_ww_bounds).reshape(ww_shape).T
+        upper_ww_bounds = np.array(upper_ww_bounds).reshape(ww_shape).T
+
         max_lower_bound_ratio = None
         if get_text(elem, 'max_lower_bound_ratio'):
             max_lower_bound_ratio = float(get_text(elem, 'max_lower_bound_ratio'))
diff --git a/tests/regression_tests/weightwindows/inputs_true.dat b/tests/regression_tests/weightwindows/inputs_true.dat
index e6a0ad55f..eb42baddf 100644
--- a/tests/regression_tests/weightwindows/inputs_true.dat
+++ b/tests/regression_tests/weightwindows/inputs_true.dat
@@ -48,8 +48,8 @@
     <mesh>2</mesh>
     <particle_type>neutron</particle_type>
     <energy_bounds>0.0 0.5 20000000.0</energy_bounds>
-    <lower_ww_bounds>-1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 7.695031155172816e-14 -1.0 7.476545089278482e-06 -1.0 2.1612150425221703e-06 -1.0 -1.0 -1.0 2.1360401784344975e-18 -1.0 1.3455341306162382e-05 -1.0 3.353295403842037e-05 -1.0 3.0160758454323657e-07 -1.0 1.0262431550731535e-13 -1.0 1.6859219614058024e-19 -1.0 3.853097455417877e-06 -1.0 4.354946981329799e-05 -1.0 7.002861620919232e-08 -1.0 -1.0 -1.0 -1.0 -1.0 1.6205064883026195e-11 -1.0 1.7041669224797384e-09 -1.0 1.8747824667478637e-14 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 5.619835883512353e-14 -1.0 1.951356547084204e-15 -1.0 8.48176145671274e-10 -1.0 -1.0 -1.0 1.4508262073256659e-13 -1.0 4.109066205029878e-05 -1.0 0.00020573181450240786 -1.0 2.124999182004655e-05 -1.0 5.5379154134462336e-08 -1.0 1.5550455959178486e-06 -1.0 0.0007213722022489493 -1.0 0.007673145137236567 -1.0 0.0008175033526488423 -1.0 1.008394964750947e-06 -1.0 6.848642863465585e-07 -1.0 0.0010737081832502356 -1.0 0.007197662162700777 -1.0 0.0007151459162818186 -1.0 2.253382683081525e-06 -1.0 1.3181562352445092e-10 -1.0 1.93847081892941e-05 -1.0 0.00046029617115127556 -1.0 2.5629068330446215e-05 -1.0 5.504813693036933e-12 -1.0 -1.0 -1.0 3.3164825349503764e-16 -1.0 3.937160538176268e-07 -1.0 -1.0 -1.0 -1.0 -1.0 1.5172912057312398e-14 -1.0 6.315154082213375e-07 -1.0 3.855884234344845e-06 -1.0 1.7770136411255912e-05 -1.0 1.6421491993751715e-11 -1.0 5.97653814110781e-06 -1.0 0.001959411999677113 -1.0 0.013330619853379314 -1.0 0.0017950613169359904 -1.0 2.4306375693722205e-06 -1.0 6.922231352729155e-05 -1.0 0.08657573566388353 -1.0 -1.0 -1.0 0.0835648710074336 -1.0 0.00016419031150495913 -1.0 9.03108551826469e-05 -1.0 0.0848872967381878 -1.0 -1.0 -1.0 0.08288806458368345 -1.0 5.6949597066784976e-05 -1.0 8.037131813528501e-07 -1.0 0.0016637126543321873 -1.0 0.01664109232689093 -1.0 0.0018327593437608 -1.0 6.542700644645627e-07 -1.0 -1.0 -1.0 6.655926357459275e-08 -1.0 5.783974359937857e-06 -1.0 2.679340942769232e-06 -1.0 -1.0 -1.0 -1.0 -1.0 2.1040609012865134e-05 -1.0 2.9282097947816224e-05 -1.0 1.284759166582202e-05 -1.0 1.0092905083158804e-11 -1.0 1.3228013765525015e-05 -1.0 0.007136750029575816 -1.0 0.06539005235506369 -1.0 0.0064803314120165335 -1.0 2.6011787393916806e-06 -1.0 8.887234042637684e-05 -1.0 0.5 -1.0 -1.0 -1.0 0.4877856021170283 -1.0 0.00017699858357744463 -1.0 0.0001670700632870335 -1.0 0.4899999304038166 -1.0 -1.0 -1.0 0.48573842213878143 -1.0 0.00021534568699157805 -1.0 7.84289689494925e-06 -1.0 0.0063790654507599135 -1.0 0.06550426960512012 -1.0 0.006639379668946672 -1.0 7.754700849337902e-06 -1.0 2.7207433165796702e-11 -1.0 5.985108617124989e-06 -1.0 3.634644995026692e-05 -1.0 3.932389299316285e-06 -1.0 -1.0 -1.0 -1.0 -1.0 1.271128669411295e-07 -1.0 8.846493399850663e-06 -1.0 2.499931357628383e-07 -1.0 8.533030345699353e-17 -1.0 1.6699254277734109e-06 -1.0 0.0017541380096893788 -1.0 0.015148978428271613 -1.0 0.0016279794552427574 -1.0 2.380955631371226e-06 -1.0 2.1648918040467363e-05 -1.0 0.0833931797381589 -1.0 -1.0 -1.0 0.08285899874014539 -1.0 2.762955748645507e-05 -1.0 5.1161740516205715e-05 -1.0 0.08095280568305474 -1.0 -1.0 -1.0 0.08636569925236791 -1.0 3.452537179033895e-05 -1.0 3.5981031766416143e-06 -1.0 0.001570829313580841 -1.0 0.01621821782442112 -1.0 0.0015447823995470042 -1.0 7.989579285134734e-06 -1.0 -1.0 -1.0 2.594951085377588e-06 -1.0 4.323138781337963e-05 -1.0 6.948292975998466e-07 -1.0 -1.0 -1.0 -1.0 -1.0 2.4469456008493614e-09 -1.0 9.041149893307806e-07 -1.0 2.2060992580622125e-11 -1.0 -1.0 -1.0 1.681305446488884e-11 -1.0 7.091263906557291e-05 -1.0 0.00027464244062887683 -1.0 1.28584557092134e-05 -1.0 2.0295213621716706e-09 -1.0 1.2911827198500372e-08 -1.0 0.0009127050763987511 -1.0 0.007385384405891666 -1.0 0.0010019432401508087 -1.0 1.080711295768551e-05 -1.0 8.020767115181574e-07 -1.0 0.0009252532821720597 -1.0 0.007188410694198128 -1.0 0.0007245451610090619 -1.0 2.5157355790201773e-07 -1.0 1.4825219199133353e-12 -1.0 4.756872959630257e-05 -1.0 0.0002668579837809081 -1.0 2.8226276944532696e-05 -1.0 5.182269672663266e-10 -1.0 -1.0 -1.0 2.936268747135548e-14 -1.0 2.5447281241730366e-07 -1.0 3.89841667138598e-08 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 2.639268952045579e-10 -1.0 3.7051518220083886e-06 -1.0 1.1333627604823673e-09 -1.0 -1.0 -1.0 -1.0 -1.0 1.2296747260635405e-06 -1.0 7.962899789920809e-06 -1.0 8.211982683649991e-09 -1.0 -1.0 -1.0 -1.0 -1.0 2.5639656866250453e-06 -1.0 2.2487617828938326e-05 -1.0 3.2799045883372075e-06 -1.0 4.076762579823379e-17 -1.0 1.5476769237571295e-14 -1.0 1.0305672698745657e-11 -1.0 1.957092814065688e-05 -1.0 3.8523247550378815e-12 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 2.7697233171399416e-13 -1.0 -1.0 -1.0 -1.0 -1.0</lower_ww_bounds>
-    <upper_ww_bounds>-10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 7.695031155172816e-13 -10.0 7.476545089278483e-05 -10.0 2.1612150425221703e-05 -10.0 -10.0 -10.0 2.1360401784344976e-17 -10.0 0.00013455341306162382 -10.0 0.00033532954038420373 -10.0 3.0160758454323656e-06 -10.0 1.0262431550731535e-12 -10.0 1.6859219614058023e-18 -10.0 3.853097455417877e-05 -10.0 0.00043549469813297995 -10.0 7.002861620919232e-07 -10.0 -10.0 -10.0 -10.0 -10.0 1.6205064883026195e-10 -10.0 1.7041669224797384e-08 -10.0 1.8747824667478637e-13 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 5.619835883512353e-13 -10.0 1.951356547084204e-14 -10.0 8.48176145671274e-09 -10.0 -10.0 -10.0 1.4508262073256658e-12 -10.0 0.0004109066205029878 -10.0 0.0020573181450240785 -10.0 0.00021249991820046548 -10.0 5.537915413446234e-07 -10.0 1.5550455959178486e-05 -10.0 0.0072137220224894934 -10.0 0.07673145137236567 -10.0 0.008175033526488424 -10.0 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+    <upper_ww_bounds>-10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 0.6827568359008944 0.0017329528628152924 0.18541112907970003 0.11113024641218336 0.0008760419353035269 0.0008168081568291806 0.004669378458601891 4.952432605379829 2.2512327083641864e-09 4.625859206051786e-06 0.00027044817176109554 0.5490281661912204 0.0014126153603265096 8.304845400451923e-07 0.00022950716170641464 0.001335621430311088 0.03432919201293737 0.0051970818427099184 5.726152701849347e-15 -10.0 0.013332554437480326 4.346984808472855 7.6915277818290365e-16 0.0011042047857307254 3.0571050855707086e-05 -10.0 4.986698316296507e-05 0.11128424196387618 0.000131063355181338 5.447493368067179e-09 0.11440381012864086 4.670673837764874e-07 1.2364069326350118 0.0012558879474108074 0.0003136829920007009 0.000234750482787598 0.01537590300149361 0.01769327994909422 0.0006717625881826168 4.587143797469485e-07 0.000262112392467961 0.0030002326388383245 0.1729816946709781 4.5757238372058235e-10 0.0006922962992428139 3.792209399652396e-05 -10.0 0.0009256616392487858 8.541606727879512e-06 -10.0 4.931708164307665 0.5500108683629957 0.00012980629616179268 0.006870228272606287 0.008231482263927564 5.0 3.419181071650816e-05 0.6433819434431045 6.574706543646946e-15 4.0404626147344005e-12 0.003782322077390033 0.0012637534695610975 0.17602971074583987 0.00010044390728858278 -10.0 0.008787411098754914 0.002368681880710174 0.00930449789620512 0.0006949587369646498 0.0012918433677593976 2.0707648529746893e-05 0.023295401596005315 1.1819165666519222 -10.0 0.00021606550732170693 0.0022057970761624767 -10.0 1.0325207105027347e-07 0.0020293965453828133 2.123498061876322e-12 -10.0 0.0024175998138228046 0.01178616843705956 0.0013998074566164962 0.03881102561422506 0.011076796092102187 0.0010814452764860557 0.10955637485319249 -10.0 9.382800796426367e-16 0.0005098747893974248 0.0027052054298385255 0.0021305826462238594 0.00808100901275472 4.233410073487772e-05 0.0515132921322595 8.61602729455546e-06 4.873897581604287 0.0002909334597507523 0.0046958956846326495 -10.0 -10.0 0.1780262484403569 1.3116807133030034e-14 2.6178780551069492e-15 0.1884234453311008 -10.0 2.027381220364608e-15 0.004299195570308035 0.00014628847959717226 4.899952354672477 2.774067049392004e-06 0.04441328419270369 4.279460329782799e-08 0.012297303081805393 0.002792896409558745 0.006934466049804711 0.0008370896020975689 3.8270536025799805e-14 -10.0 0.1208261392046878 0.001497958445994315 0.015016500045374082 0.05384625561469684 0.0025519632243117644 0.011028020390507681 0.002362355168421952 -10.0 -10.0 0.0008862760180332873 1.3806577785135176e-05 -10.0 0.001319677450153934 0.00026866894852481903 -10.0 1.1510120013926417 0.026729237733633893 0.00012257360246712473 0.0008544159282151438 0.0002777791741571174 0.014957033281168012 0.0032576461348374514 0.008919466185572301 1.2907171695294846e-12 0.00046842350882367664 0.17218062957363772 0.0025106741008066318 0.0022234471595443312 2.101790478097517e-08 5.752120832330886e-10 0.6428782790571179 3.2478301680021856e-07 4.903495510314233 0.01146714816952061 0.004777967757842694 1.0882011018684853e-05 0.5708498338352204 4.981497862127628 -10.0 3.279091474401153e-05 0.0010077009726691265 -10.0 2.210707325798542e-06 0.00043166052799897375 -10.0 0.1825795827020865 0.0031821087819554777 0.00038561696337086434 1.0995322456277382e-05 9.53380658669839e-05 0.01550036616828061 0.012648333883989995 5.272021975060514e-05 0.00019257248009114364 0.0016757997590048828 1.1891251244906933 5.515522196186723e-05 0.1102706140784316 9.904481358675478e-12 0.0003520674728719278 0.11294708566804167 7.239087311622819e-07 -10.0 3.574060778841494e-05 0.0035983547999740664 1.0588257623722672e-06 4.237271368372502 0.011273340972061077 8.582011716859219e-14 1.151457911727229e-09 0.004313097771132342 0.027847329307350423 0.0017287873387910357 6.401055165502385e-05 1.722191123879782e-07 0.0020848309220162036 0.5639071613735579 0.00018064550990294753 1.289814511028015e-05 1.078687446476881e-13 4.897735047310072 0.002981891705231209 0.0016079768514218546 0.0009332371598523186 0.11724714376848187 0.19040707071165303 0.0014242053195529865 0.6684484191345574 -10.0</upper_ww_bounds>
     <survival_ratio>3</survival_ratio>
     <max_lower_bound_ratio>1.5</max_lower_bound_ratio>
     <max_split>10</max_split>
diff --git a/tests/regression_tests/weightwindows/results_true.dat b/tests/regression_tests/weightwindows/results_true.dat
index 971401995..6c05af31a 100644
--- a/tests/regression_tests/weightwindows/results_true.dat
+++ b/tests/regression_tests/weightwindows/results_true.dat
@@ -1 +1 @@
-f10c722e27d1f0a69f700bc72c4b7751f375dc0a74e049c9abb4b261d2265155c0e516e7e38f9751b83a24eac07e944e51740d398b720524cf8cd6bf0b8c51fc
\ No newline at end of file
+ebc761815175b25fc95a226174928c226a3ab5dbf3b2a2abf09e079a0b87dee1dee74aa9b9eaec35acd58b8c481d264be7e9b3f052905bcc14ccd76f36b01549
\ No newline at end of file

From 7c9a18ddd0b969eafd4fd7a000403c43a522e206 Mon Sep 17 00:00:00 2001
From: Ethan Peterson <ethan.peterson@mit.edu>
Date: Mon, 24 Oct 2022 16:49:09 -0400
Subject: [PATCH 1203/2654] Update openmc/weight_windows.py

---
 openmc/weight_windows.py | 1 -
 1 file changed, 1 deletion(-)

diff --git a/openmc/weight_windows.py b/openmc/weight_windows.py
index 4088cb2d4..3a9bfff6d 100644
--- a/openmc/weight_windows.py
+++ b/openmc/weight_windows.py
@@ -342,7 +342,6 @@ class WeightWindows(IDManagerMixin):
         survival_ratio = float(get_text(elem, 'survival_ratio'))
 
         ww_shape = (len(e_bounds) - 1,) + mesh.dimension[::-1]
-        print(ww_shape)
         lower_ww_bounds = np.array(lower_ww_bounds).reshape(ww_shape).T
         upper_ww_bounds = np.array(upper_ww_bounds).reshape(ww_shape).T
 

From a67b330d8f1ae8bcef1e5534459dc116f2bda21d Mon Sep 17 00:00:00 2001
From: Ethan Peterson <ethan.peterson@mit.edu>
Date: Thu, 13 Oct 2022 11:57:39 -0400
Subject: [PATCH 1204/2654] round and change default to True

---
 openmc/geometry.py    | 5 +++--
 openmc/model/model.py | 2 +-
 2 files changed, 4 insertions(+), 3 deletions(-)

diff --git a/openmc/geometry.py b/openmc/geometry.py
index 58a33c1b1..edf4c4782 100644
--- a/openmc/geometry.py
+++ b/openmc/geometry.py
@@ -75,7 +75,7 @@ class Geometry:
                 if universe.id in volume_calc.volumes:
                     universe.add_volume_information(volume_calc)
 
-    def export_to_xml(self, path='geometry.xml', remove_surfs=False):
+    def export_to_xml(self, path='geometry.xml', remove_surfs=True):
         """Export geometry to an XML file.
 
         Parameters
@@ -411,7 +411,8 @@ class Geometry:
         """
         tally = defaultdict(list)
         for surf in self.get_all_surfaces().values():
-            coeffs = tuple(surf._coefficients[k] for k in surf._coeff_keys)
+            coeffs = tuple(round(surf._coefficients[k], 10)
+                           for k in surf._coeff_keys)
             key = (surf._type,) + coeffs
             tally[key].append(surf)
         return {replace.id: keep
diff --git a/openmc/model/model.py b/openmc/model/model.py
index 625094cce..a48730091 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -397,7 +397,7 @@ class Model:
                 depletion_operator.cleanup_when_done = True
                 depletion_operator.finalize()
 
-    def export_to_xml(self, directory='.', remove_surfs=False):
+    def export_to_xml(self, directory='.', remove_surfs=True):
         """Export model to XML files.
 
         Parameters

From 1ab2cbec40ab75452b710b4a3d200ec3f2b5011f Mon Sep 17 00:00:00 2001
From: Ethan Peterson <ethan.peterson@mit.edu>
Date: Thu, 13 Oct 2022 13:24:03 -0400
Subject: [PATCH 1205/2654] revert to False because of failing tests

---
 openmc/geometry.py    | 2 +-
 openmc/model/model.py | 2 +-
 2 files changed, 2 insertions(+), 2 deletions(-)

diff --git a/openmc/geometry.py b/openmc/geometry.py
index edf4c4782..0fd8e02fe 100644
--- a/openmc/geometry.py
+++ b/openmc/geometry.py
@@ -75,7 +75,7 @@ class Geometry:
                 if universe.id in volume_calc.volumes:
                     universe.add_volume_information(volume_calc)
 
-    def export_to_xml(self, path='geometry.xml', remove_surfs=True):
+    def export_to_xml(self, path='geometry.xml', remove_surfs=False):
         """Export geometry to an XML file.
 
         Parameters
diff --git a/openmc/model/model.py b/openmc/model/model.py
index a48730091..625094cce 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -397,7 +397,7 @@ class Model:
                 depletion_operator.cleanup_when_done = True
                 depletion_operator.finalize()
 
-    def export_to_xml(self, directory='.', remove_surfs=True):
+    def export_to_xml(self, directory='.', remove_surfs=False):
         """Export model to XML files.
 
         Parameters

From 4604c10da11f2ef3c66c44ae80d6a7f8f452b2d3 Mon Sep 17 00:00:00 2001
From: Ethan Peterson <ethan.peterson@mit.edu>
Date: Sun, 16 Oct 2022 13:06:37 -0400
Subject: [PATCH 1206/2654] added attributes and warnings

---
 openmc/geometry.py    | 76 +++++++++++++++++++++++++++++++++++++++----
 openmc/model/model.py |  7 +++-
 2 files changed, 75 insertions(+), 8 deletions(-)

diff --git a/openmc/geometry.py b/openmc/geometry.py
index 0fd8e02fe..e3bb4a1cd 100644
--- a/openmc/geometry.py
+++ b/openmc/geometry.py
@@ -3,10 +3,11 @@ from collections.abc import Iterable
 from copy import deepcopy
 from pathlib import Path
 from xml.etree import ElementTree as ET
+import warnings
 
 import openmc
 import openmc._xml as xml
-from .checkvalue import check_type
+from .checkvalue import check_type, check_less_than, check_greater_than
 
 
 class Geometry:
@@ -17,6 +18,13 @@ class Geometry:
     root : openmc.UniverseBase or Iterable of openmc.Cell, optional
         Root universe which contains all others, or an iterable of cells that
         should be used to create a root universe.
+    cull_surfaces : bool, optional
+        Whether to remove redundant surfaces when the geometry is exported.
+        Defaults to False.
+    surface_precision : int, optional
+        Number of decimal places to round to for comparing the coefficients of
+        surfaces for considering them topologically equivalent. Defaults to 10
+        decimal places.
 
     Attributes
     ----------
@@ -25,12 +33,19 @@ class Geometry:
     bounding_box : 2-tuple of numpy.array
         Lower-left and upper-right coordinates of an axis-aligned bounding box
         of the universe.
+    cull_surfaces : bool
+        Whether to remove redundant surfaces when the geometry is exported.
+    surface_precision : int
+        Number of decimal places to round to for comparing the coefficients of
+        surfaces for considering them topologically equivalent.
 
     """
 
-    def __init__(self, root=None):
+    def __init__(self, root=None, cull_surfaces=False, surface_precision=10):
         self._root_universe = None
         self._offsets = {}
+        self.cull_surfaces = cull_surfaces
+        self.surface_precision = surface_precision
         if root is not None:
             if isinstance(root, openmc.UniverseBase):
                 self.root_universe = root
@@ -48,11 +63,31 @@ class Geometry:
     def bounding_box(self):
         return self.root_universe.bounding_box
 
+    @property
+    def cull_surfaces(self):
+        return self._cull_surfaces
+
+    @property
+    def surface_precision(self):
+        return self._surface_precision
+
     @root_universe.setter
     def root_universe(self, root_universe):
         check_type('root universe', root_universe, openmc.UniverseBase)
         self._root_universe = root_universe
 
+    @cull_surfaces.setter
+    def cull_surfaces(self, cull_surfaces):
+        check_type('cull surfaces', cull_surfaces, bool)
+        self._cull_surfaces = cull_surfaces
+
+    @surface_precision.setter
+    def surface_precision(self, surface_precision):
+        check_type('surface precision', surface_precision, int)
+        check_less_than('surface_precision', surface_precision, 16)
+        check_greater_than('surface_precision', surface_precision, 0)
+        self._surface_precision = surface_precision
+
     def add_volume_information(self, volume_calc):
         """Add volume information from a stochastic volume calculation.
 
@@ -91,6 +126,11 @@ class Geometry:
         """
         # Find and remove redundant surfaces from the geometry
         if remove_surfs:
+            warnings.warn("remove_surfs kwarg will be deprecated soon, please "
+                          "set the Geometry.cull_surfaces attribute instead.")
+            self.cull_surfaces = True
+
+        if self.cull_surfaces:
             self.remove_redundant_surfaces()
 
         # Create XML representation
@@ -396,11 +436,18 @@ class Geometry:
                 surfaces = cell.region.get_surfaces(surfaces)
         return surfaces
 
-    def get_redundant_surfaces(self):
+    def get_redundant_surfaces(self, precision=None):
         """Return all of the topologically redundant surface IDs
 
         .. versionadded:: 0.12
 
+        Parameters
+        ----------
+        precision : int, optional
+            The number of decimal places to round to for considering surface
+            coefficients to be equal. Defaults to the value specified by
+            Geometry.surface_precision.
+
         Returns
         -------
         dict
@@ -409,9 +456,12 @@ class Geometry:
             that should replace it.
 
         """
+        precision = self.surface_precision if precision is None else precision
+        check_less_than('precision', precision, 16)
+        check_greater_than('precision', precision, 0)
         tally = defaultdict(list)
         for surf in self.get_all_surfaces().values():
-            coeffs = tuple(round(surf._coefficients[k], 10)
+            coeffs = tuple(round(surf._coefficients[k], precision)
                            for k in surf._coeff_keys)
             key = (surf._type,) + coeffs
             tally[key].append(surf)
@@ -565,11 +615,23 @@ class Geometry:
         """
         return self._get_domains_by_name(name, case_sensitive, matching, 'lattice')
 
-    def remove_redundant_surfaces(self):
-        """Remove redundant surfaces from the geometry"""
+    def remove_redundant_surfaces(self, precision=None):
+        """Remove redundant surfaces from the geometry.
+
+        Parameters
+        ----------
+        precision : int, optional
+            The number of decimal places to round to for considering surface
+            coefficients to be equal. Defaults to the value specified by
+            Geometry.surface_precision.
+
+        """
+        precision = self.surface_precision if precision is None else precision
+        check_less_than('precision', precision, 16)
+        check_greater_than('precision', precision, 0)
 
         # Get redundant surfaces
-        redundant_surfaces = self.get_redundant_surfaces()
+        redundant_surfaces = self.get_redundant_surfaces(precision=precision)
 
         # Iterate through all cells contained in the geometry
         for cell in self.get_all_cells().values():
diff --git a/openmc/model/model.py b/openmc/model/model.py
index 625094cce..8a57c88e4 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -5,6 +5,7 @@ import os
 from pathlib import Path
 from numbers import Integral
 from tempfile import NamedTemporaryFile
+import warnings
 
 import h5py
 
@@ -417,7 +418,11 @@ class Model:
             d.mkdir(parents=True)
 
         self.settings.export_to_xml(d)
-        self.geometry.export_to_xml(d, remove_surfs=remove_surfs)
+        if remove_surfs:
+            warnings.warn("remove_surfs kwarg will be deprecated soon, please "
+                          "set the Geometry.cull_surfaces attribute instead.")
+            self.geometry.cull_surfaces = True
+        self.geometry.export_to_xml(d)
 
         # If a materials collection was specified, export it. Otherwise, look
         # for all materials in the geometry and use that to automatically build

From fec53aa1fa8690757141a196f71abe20e0694b78 Mon Sep 17 00:00:00 2001
From: Ethan Peterson <ethan.peterson@mit.edu>
Date: Tue, 18 Oct 2022 09:16:09 -0400
Subject: [PATCH 1207/2654] updated tests

---
 tests/unit_tests/test_geometry.py | 13 ++++++++-----
 1 file changed, 8 insertions(+), 5 deletions(-)

diff --git a/tests/unit_tests/test_geometry.py b/tests/unit_tests/test_geometry.py
index 64a97e0a1..2034a5764 100644
--- a/tests/unit_tests/test_geometry.py
+++ b/tests/unit_tests/test_geometry.py
@@ -302,7 +302,7 @@ def test_rotation_matrix():
     assert geom.find((0.0, -0.5, 0.0))[-1] == c1
     assert geom.find((0.0, -1.5, 0.0))[-1] == c2
 
-def test_remove_redundant_surfaces():
+def test_remove_redundant_surfaces(run_in_tmpdir):
     """Test ability to remove redundant surfaces"""
 
     m1 = openmc.Material()
@@ -338,13 +338,16 @@ def test_remove_redundant_surfaces():
     clad = get_cyl_cell(r1, r2, z1, z2, m2)
     water = get_cyl_cell(r2, r3, z1, z2, m3)
     root = openmc.Universe(cells=[fuel, clad, water])
-    geom = openmc.Geometry(root)
-    
+    geom = openmc.Geometry(root, cull_surfaces=True)
+    model = openmc.model.Model(geometry=geom,
+                               materials=openmc.Materials([m1, m2, m3]))
+
     # There should be 6 redundant surfaces in this geometry
     n_redundant_surfs = len(geom.get_redundant_surfaces().keys())
     assert n_redundant_surfs == 6
-    # Remove redundant surfaces
-    geom.remove_redundant_surfaces()
+    # Remove redundant surfaces on export
+    model.export_to_xml()
+    geom = openmc.Geometry.from_xml()
     # There should be 0 remaining redundant surfaces
     n_redundant_surfs = len(geom.get_redundant_surfaces().keys())
     assert n_redundant_surfs == 0

From 33021f7af18c095fa8b0a18cb51c5aac852eeb28 Mon Sep 17 00:00:00 2001
From: Ethan Peterson <ethan.peterson@mit.edu>
Date: Mon, 24 Oct 2022 16:55:48 -0400
Subject: [PATCH 1208/2654] removed precision parameter

---
 openmc/geometry.py | 37 +++++++++----------------------------
 1 file changed, 9 insertions(+), 28 deletions(-)

diff --git a/openmc/geometry.py b/openmc/geometry.py
index e3bb4a1cd..5efd5381e 100644
--- a/openmc/geometry.py
+++ b/openmc/geometry.py
@@ -436,18 +436,14 @@ class Geometry:
                 surfaces = cell.region.get_surfaces(surfaces)
         return surfaces
 
-    def get_redundant_surfaces(self, precision=None):
-        """Return all of the topologically redundant surface IDs
+    def get_redundant_surfaces(self):
+        """Return all of the topologically redundant surface IDs.
+
+        Uses surface_precision attribute of Geometry instance for rounding and
+        comparing surface coefficients.
 
         .. versionadded:: 0.12
 
-        Parameters
-        ----------
-        precision : int, optional
-            The number of decimal places to round to for considering surface
-            coefficients to be equal. Defaults to the value specified by
-            Geometry.surface_precision.
-
         Returns
         -------
         dict
@@ -456,12 +452,9 @@ class Geometry:
             that should replace it.
 
         """
-        precision = self.surface_precision if precision is None else precision
-        check_less_than('precision', precision, 16)
-        check_greater_than('precision', precision, 0)
         tally = defaultdict(list)
         for surf in self.get_all_surfaces().values():
-            coeffs = tuple(round(surf._coefficients[k], precision)
+            coeffs = tuple(round(surf._coefficients[k], self.surface_precision)
                            for k in surf._coeff_keys)
             key = (surf._type,) + coeffs
             tally[key].append(surf)
@@ -615,23 +608,11 @@ class Geometry:
         """
         return self._get_domains_by_name(name, case_sensitive, matching, 'lattice')
 
-    def remove_redundant_surfaces(self, precision=None):
-        """Remove redundant surfaces from the geometry.
-
-        Parameters
-        ----------
-        precision : int, optional
-            The number of decimal places to round to for considering surface
-            coefficients to be equal. Defaults to the value specified by
-            Geometry.surface_precision.
-
-        """
-        precision = self.surface_precision if precision is None else precision
-        check_less_than('precision', precision, 16)
-        check_greater_than('precision', precision, 0)
+    def remove_redundant_surfaces(self):
+        """Remove redundant surfaces from the geometry."""
 
         # Get redundant surfaces
-        redundant_surfaces = self.get_redundant_surfaces(precision=precision)
+        redundant_surfaces = self.get_redundant_surfaces()
 
         # Iterate through all cells contained in the geometry
         for cell in self.get_all_cells().values():

From a46cafa7fe05a391f9c3e85a5f89c53233af29c1 Mon Sep 17 00:00:00 2001
From: Ethan Peterson <ethan.peterson@mit.edu>
Date: Wed, 26 Oct 2022 08:20:25 -0400
Subject: [PATCH 1209/2654] addressed @pshriwise comments

---
 openmc/geometry.py                | 33 ++++++++++++-------------------
 openmc/model/model.py             |  4 ++--
 tests/unit_tests/test_geometry.py |  3 ++-
 3 files changed, 17 insertions(+), 23 deletions(-)

diff --git a/openmc/geometry.py b/openmc/geometry.py
index 5efd5381e..2cdc356e8 100644
--- a/openmc/geometry.py
+++ b/openmc/geometry.py
@@ -18,13 +18,6 @@ class Geometry:
     root : openmc.UniverseBase or Iterable of openmc.Cell, optional
         Root universe which contains all others, or an iterable of cells that
         should be used to create a root universe.
-    cull_surfaces : bool, optional
-        Whether to remove redundant surfaces when the geometry is exported.
-        Defaults to False.
-    surface_precision : int, optional
-        Number of decimal places to round to for comparing the coefficients of
-        surfaces for considering them topologically equivalent. Defaults to 10
-        decimal places.
 
     Attributes
     ----------
@@ -33,7 +26,7 @@ class Geometry:
     bounding_box : 2-tuple of numpy.array
         Lower-left and upper-right coordinates of an axis-aligned bounding box
         of the universe.
-    cull_surfaces : bool
+    merge_surfaces : bool
         Whether to remove redundant surfaces when the geometry is exported.
     surface_precision : int
         Number of decimal places to round to for comparing the coefficients of
@@ -41,11 +34,11 @@ class Geometry:
 
     """
 
-    def __init__(self, root=None, cull_surfaces=False, surface_precision=10):
+    def __init__(self, root=None):
         self._root_universe = None
         self._offsets = {}
-        self.cull_surfaces = cull_surfaces
-        self.surface_precision = surface_precision
+        self.merge_surfaces = False
+        self.surface_precision = 10
         if root is not None:
             if isinstance(root, openmc.UniverseBase):
                 self.root_universe = root
@@ -64,8 +57,8 @@ class Geometry:
         return self.root_universe.bounding_box
 
     @property
-    def cull_surfaces(self):
-        return self._cull_surfaces
+    def merge_surfaces(self):
+        return self._merge_surfaces
 
     @property
     def surface_precision(self):
@@ -76,10 +69,10 @@ class Geometry:
         check_type('root universe', root_universe, openmc.UniverseBase)
         self._root_universe = root_universe
 
-    @cull_surfaces.setter
-    def cull_surfaces(self, cull_surfaces):
-        check_type('cull surfaces', cull_surfaces, bool)
-        self._cull_surfaces = cull_surfaces
+    @merge_surfaces.setter
+    def merge_surfaces(self, merge_surfaces):
+        check_type('merge surfaces', merge_surfaces, bool)
+        self._merge_surfaces = merge_surfaces
 
     @surface_precision.setter
     def surface_precision(self, surface_precision):
@@ -127,10 +120,10 @@ class Geometry:
         # Find and remove redundant surfaces from the geometry
         if remove_surfs:
             warnings.warn("remove_surfs kwarg will be deprecated soon, please "
-                          "set the Geometry.cull_surfaces attribute instead.")
-            self.cull_surfaces = True
+                          "set the Geometry.merge_surfaces attribute instead.")
+            self.merge_surfaces = True
 
-        if self.cull_surfaces:
+        if self.merge_surfaces:
             self.remove_redundant_surfaces()
 
         # Create XML representation
diff --git a/openmc/model/model.py b/openmc/model/model.py
index 8a57c88e4..7126987cb 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -420,8 +420,8 @@ class Model:
         self.settings.export_to_xml(d)
         if remove_surfs:
             warnings.warn("remove_surfs kwarg will be deprecated soon, please "
-                          "set the Geometry.cull_surfaces attribute instead.")
-            self.geometry.cull_surfaces = True
+                          "set the Geometry.merge_surfaces attribute instead.")
+            self.geometry.merge_surfaces = True
         self.geometry.export_to_xml(d)
 
         # If a materials collection was specified, export it. Otherwise, look
diff --git a/tests/unit_tests/test_geometry.py b/tests/unit_tests/test_geometry.py
index 2034a5764..6a092126e 100644
--- a/tests/unit_tests/test_geometry.py
+++ b/tests/unit_tests/test_geometry.py
@@ -338,7 +338,8 @@ def test_remove_redundant_surfaces(run_in_tmpdir):
     clad = get_cyl_cell(r1, r2, z1, z2, m2)
     water = get_cyl_cell(r2, r3, z1, z2, m3)
     root = openmc.Universe(cells=[fuel, clad, water])
-    geom = openmc.Geometry(root, cull_surfaces=True)
+    geom = openmc.Geometry(root)
+    geom.merge_surfaces=True
     model = openmc.model.Model(geometry=geom,
                                materials=openmc.Materials([m1, m2, m3]))
 

From e8d3e14adf16ad0ebe6413e0d7e81a22bab0cee2 Mon Sep 17 00:00:00 2001
From: Ethan Peterson <ethan.peterson@mit.edu>
Date: Wed, 26 Oct 2022 12:13:43 -0400
Subject: [PATCH 1210/2654] cache redundant_surfaces

---
 openmc/geometry.py | 38 ++++++++++++++++++++++++--------------
 1 file changed, 24 insertions(+), 14 deletions(-)

diff --git a/openmc/geometry.py b/openmc/geometry.py
index 2cdc356e8..08608a5cd 100644
--- a/openmc/geometry.py
+++ b/openmc/geometry.py
@@ -37,6 +37,7 @@ class Geometry:
     def __init__(self, root=None):
         self._root_universe = None
         self._offsets = {}
+        self._redundant_surface_map = None
         self.merge_surfaces = False
         self.surface_precision = 10
         if root is not None:
@@ -445,15 +446,21 @@ class Geometry:
             that should replace it.
 
         """
-        tally = defaultdict(list)
-        for surf in self.get_all_surfaces().values():
-            coeffs = tuple(round(surf._coefficients[k], self.surface_precision)
-                           for k in surf._coeff_keys)
-            key = (surf._type,) + coeffs
-            tally[key].append(surf)
-        return {replace.id: keep
-                for keep, *redundant in tally.values()
-                for replace in redundant}
+        # check if redundant surfaces have not been calculated yet
+        if self._redundant_surface_map is None:
+            tally = defaultdict(list)
+            for surf in self.get_all_surfaces().values():
+                coeffs = tuple(round(surf._coefficients[k],
+                                     self.surface_precision)
+                               for k in surf._coeff_keys)
+                key = (surf._type,) + coeffs
+                tally[key].append(surf)
+
+            self._redundant_surface_map = {replace.id: keep
+                                           for keep, *redundant in tally.values()
+                                           for replace in redundant}
+
+        return self._redundant_surface_map
 
     def _get_domains_by_name(self, name, case_sensitive, matching, domain_type):
         if not case_sensitive:
@@ -607,11 +614,14 @@ class Geometry:
         # Get redundant surfaces
         redundant_surfaces = self.get_redundant_surfaces()
 
-        # Iterate through all cells contained in the geometry
-        for cell in self.get_all_cells().values():
-            # Recursively remove redundant surfaces from regions
-            if cell.region:
-                cell.region.remove_redundant_surfaces(redundant_surfaces)
+        if redundant_surfaces:
+            # Iterate through all cells contained in the geometry
+            for cell in self.get_all_cells().values():
+                # Recursively remove redundant surfaces from regions
+                if cell.region:
+                    cell.region.remove_redundant_surfaces(redundant_surfaces)
+
+        self._redundant_surface_map = None
 
     def determine_paths(self, instances_only=False):
         """Determine paths through CSG tree for cells and materials.

From 6131136bd1a1433af676841c3493b0c79991b88b Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Wed, 26 Oct 2022 18:33:26 +0100
Subject: [PATCH 1211/2654] swapped from 2016 to 2020 amdc data

---
 openmc/data/data.py          |    2 +-
 openmc/data/mass16.txt       | 3475 --------------------------------
 openmc/data/mass_1.mas20.txt | 3594 ++++++++++++++++++++++++++++++++++
 setup.py                     |    2 +-
 4 files changed, 3596 insertions(+), 3477 deletions(-)
 delete mode 100644 openmc/data/mass16.txt
 create mode 100644 openmc/data/mass_1.mas20.txt

diff --git a/openmc/data/data.py b/openmc/data/data.py
index 0c4495ede..361aa6457 100644
--- a/openmc/data/data.py
+++ b/openmc/data/data.py
@@ -224,7 +224,7 @@ def atomic_mass(isotope):
     if not _ATOMIC_MASS:
 
         # Load data from AME2016 file
-        mass_file = os.path.join(os.path.dirname(__file__), 'mass16.txt')
+        mass_file = os.path.join(os.path.dirname(__file__), 'mass_1.mas20.txt')
         with open(mass_file, 'r') as ame:
             # Read lines in file starting at line 40
             for line in itertools.islice(ame, 39, None):
diff --git a/openmc/data/mass16.txt b/openmc/data/mass16.txt
deleted file mode 100644
index 4b479be45..000000000
--- a/openmc/data/mass16.txt
+++ /dev/null
@@ -1,3475 +0,0 @@
-1    a0boogfu                                 A T O M I C   M A S S   A D J U S T M E N T
-0                                                     DATE  1 Mar 2017 TIME 17:26
-0        *********************                               A=   0 TO 295
-         * file : mass16.txt *
-         *********************
-
-   This is one file out of a series of 3 files published in:
-       "The Ame2016 atomic mass evaluation (I)"   by W.J.Huang, G.Audi, M.Wang, F.G.Kondev, S.Naimi and X.Xu
-           Chinese Physics C41 030002, March 2017.
-       "The Ame2016 atomic mass evaluation (II)"  by M.Wang, G.Audi, F.G.Kondev, W.J.Huang, S.Naimi and X.Xu
-           Chinese Physics C41 030003, March 2017.
-                       for files : mass16.txt  : atomic masses
-                                   rct1-16.txt : react and sep energies,  part 1
-                                   rct2-16.txt : react and sep energies,  part 2
-   A fourth file  is the "Rounded" version of the atomic mass table (the first file)
-                                   mass16round.txt : atomic masses "Rounded" version
-
-   All files are 3436 lines long with 124 character per line.
-       Headers are 39 lines long.
-   Values in files 1, 2 and 3 are unrounded copy of the published ones
-   Values in file  4          are exact     copy of the published ones
-
-   col 1     :  Fortran character control: 1 = page feed  0 = line feed
-   format    :  a1,i3,i5,i5,i5,1x,a3,a4,1x,f13.5,f11.5,f11.3,f9.3,1x,a2,f11.3,f9.3,1x,i3,1x,f12.5,f11.5
-                cc NZ  N  Z  A    el  o     mass  unc binding unc     B  beta  unc    atomic_mass   unc
-   Warnings  :  this format is identical to the ones used in Ame2003 and Ame2012
-                      in particular "Mass Excess" and "Atomic Mass" values are given now, when necessary,
-                      with 5 digits after decimal point.
-                decimal point is replaced by # for (non-experimental) estimated values.
-                * in place of value : not calculable
-
-....+....1....+....2....+....3....+....4....+....5....+....6....+....7....+....8....+....9....+...10....+...11....+...12....
-
-
-                                                               MASS LIST
-                                                             for analysis
-
-1N-Z    N    Z   A  EL    O     MASS EXCESS       BINDING ENERGY/A        BETA-DECAY ENERGY         ATOMIC MASS
-                                   (keV)                (keV)                    (keV)                (micro-u)
-0  1    1    0    1  n         8071.31713    0.00046      0.0      0.0   B-    782.347    0.000   1 008664.91582    0.00049
-  -1    0    1    1 H          7288.97061    0.00009      0.0      0.0   B-      *                1 007825.03224    0.00009
-0  0    1    1    2 H         13135.72176    0.00011   1112.283    0.000 B-      *                2 014101.77811    0.00012
-0  1    2    1    3 H         14949.80993    0.00022   2827.265    0.000 B-     18.592    0.000   3 016049.28199    0.00023
-  -1    1    2    3 He        14931.21793    0.00021   2572.680    0.000 B- -13736#    2000#      3 016029.32265    0.00022
-  -3    0    3    3 Li  -pp   28667#      2000#       -2267#     667#    B-      *                3 030775#      2147#
-0  2    3    1    4 H    -n   24621.127    100.000     1720.449   25.000 B-  22196.211  100.000   4 026431.868    107.354
-   0    2    2    4 He         2424.91561    0.00006   7073.915    0.000 B- -22898.273  212.132   4 002603.25413    0.00006
-  -2    1    3    4 Li   -p   25323.189    212.132     1153.760   53.033 B-      *                4 027185.562    227.733
-0  3    4    1    5 H   -nn   32892.444     89.443     1336.359   17.889 B-  21661.211   91.652   5 035311.493     96.020
-   1    3    2    5 He   -n   11231.233     20.000     5512.132    4.000 B-   -447.654   53.852   5 012057.224     21.470
-  -1    2    3    5 Li   -p   11678.886     50.000     5266.132   10.000 B- -25460#    2003#      5 012537.800     53.677
-  -3    1    4    5 Be    x   37139#      2003#          18#     401#    B-      *                5 039870#      2150#
-0  4    5    1    6 H   -3n   41875.721    254.127      961.639   42.354 B-  24283.626  254.127   6 044955.437    272.816
-   2    4    2    6 He        17592.095      0.053     4878.519    0.009 B-   3505.216    0.053   6 018885.891      0.057
-   0    3    3    6 Li        14086.87895    0.00144   5332.331    0.000 B-  -4288.154    5.448   6 015122.88742    0.00155
-  -2    2    4    6 Be    -   18375.033      5.448     4487.247    0.908 B- -28945#    2003#      6 019726.409      5.848
-  -4    1    5    6 B     x   47320#      2003#        -467#     334#    B-      *                6 050800#      2150#
-0  5    6    1    7 H   -nn   49135#      1004#         940#     143#    B-  23062#    1004#      7 052749#      1078#
-   3    5    2    7 He   -n   26073.126      7.559     4123.057    1.080 B-  11166.021    7.559   7 027990.654      8.115
-   1    4    3    7 Li        14907.10529    0.00423   5606.439    0.001 B-   -861.893    0.071   7 016003.43666    0.00454
-  -1    3    4    7 Be        15768.999      0.071     5371.548    0.010 B- -11907.551   25.150   7 016928.717      0.076
-  -3    2    5    7 B   p4n   27676.550     25.150     3558.705    3.593 B-      *                7 029712.000     27.000
-0  4    6    2    8 He        31609.681      0.089     3924.520    0.011 B-  10663.878    0.100   8 033934.390      0.095
-   2    5    3    8 Li        20945.804      0.047     5159.712    0.006 B-  16004.133    0.059   8 022486.246      0.050
-   0    4    4    8 Be   -a    4941.671      0.035     7062.435    0.004 B- -17979.896    1.000   8 005305.102      0.037
-  -2    3    5    8 B         22921.567      1.000     4717.155    0.125 B- -12142.701   18.270   8 024607.316      1.073
-  -4    2    6    8 C         35064.268     18.243     3101.524    2.280 B-      *                8 037643.042     19.584
-0  5    7    2    9 He        40935.826     46.816     3349.037    5.202 B-  15980.924   46.817   9 043946.419     50.259
-   3    6    3    9 Li  -3n   24954.902      0.186     5037.768    0.021 B-  13606.449    0.201   9 026790.191      0.200
-   1    5    4    9 Be        11348.453      0.077     6462.668    0.009 B-  -1068.035    0.899   9 012183.066      0.082
-  -1    4    5    9 B     -   12416.488      0.903     6257.070    0.100 B- -16494.484    2.319   9 013329.649      0.969
-  -3    3    6    9 C   -pp   28910.972      2.137     4337.423    0.237 B-      *                9 031037.207      2.293
-0  6    8    2   10 He  -nn   49197.143     92.848     2995.134    9.285 B-  16144.519   93.715  10 052815.308     99.676
-   4    7    3   10 Li   -n   33052.624     12.721     4531.351    1.272 B-  20445.136   12.722  10 035483.453     13.656
-   2    6    4   10 Be        12607.488      0.081     6497.630    0.008 B-    556.878    0.082  10 013534.695      0.086
-   0    5    5   10 B         12050.609      0.015     6475.083    0.002 B-  -3648.062    0.069  10 012936.862      0.016
-  -2    4    6   10 C         15698.672      0.070     6032.042    0.007 B- -23101.355  400.000  10 016853.218      0.075
-  -4    3    7   10 N    --   38800.026    400.000     3643.672   40.000 B-      *               10 041653.543    429.417
-0  5    8    3   11 Li    x   40728.254      0.615     4155.381    0.056 B-  20551.087    0.659  11 043723.581      0.660
-   3    7    4   11 Be        20177.167      0.238     5952.540    0.022 B-  11509.460    0.238  11 021661.081      0.255
-   1    6    5   11 B          8667.707      0.012     6927.732    0.001 B-  -1981.689    0.061  11 009305.166      0.013
-  -1    5    6   11 C         10649.396      0.060     6676.456    0.005 B- -13654.163   46.154  11 011432.597      0.064
-  -3    4    7   11 N    -p   24303.559     46.154     5364.046    4.196 B-      *               11 026090.945     49.548
-0  6    9    3   12 Li   -n   49009.571     30.006     3791.600    2.501 B-  23931.812   30.067  12 052613.941     32.213
-   4    8    4   12 Be        25077.760      1.909     5720.722    0.159 B-  11708.363    2.321  12 026922.083      2.048
-   2    7    5   12 B         13369.397      1.321     6631.223    0.110 B-  13369.397    1.321  12 014352.638      1.418
-   0    6    6   12 C             0.0        0.0       7680.144    0.000 B- -17338.068    1.000  12 000000.0        0.0
-  -2    5    7   12 N         17338.068      1.000     6170.109    0.083 B- -14576.544   24.021  12 018613.182      1.073
-  -4    4    8   12 O   -pp   31914.613     24.000     4890.202    2.000 B-      *               12 034261.747     25.765
-0  7   10    3   13 Li  -nn   56980.888     70.003     3507.630    5.385 B-  23321.812   70.739  13 061171.503     75.150
-   5    9    4   13 Be   -n   33659.077     10.180     5241.435    0.783 B-  17097.130   10.230  13 036134.507     10.929
-   3    8    5   13 B   -nn   16561.947      1.000     6496.419    0.077 B-  13436.938    1.000  13 017779.981      1.073
-   1    7    6   13 C          3125.00888    0.00021   7469.849    0.000 B-  -2220.472    0.270  13 003354.83521    0.00023
-  -1    6    7   13 N          5345.481      0.270     7238.863    0.021 B- -17769.951    9.530  13 005738.609      0.289
-  -3    5    8   13 O   +3n   23115.432      9.526     5811.763    0.733 B-      *               13 024815.437     10.226
-0  6   10    4   14 Be    x   39954.498    132.245     4993.897    9.446 B-  16290.813  133.936  14 042892.920    141.970
-   4    9    5   14 B         23663.685     21.213     6101.644    1.515 B-  20643.792   21.213  14 025404.012     22.773
-   2    8    6   14 C          3019.89278    0.00376   7520.319    0.000 B-    156.476    0.004  14 003241.98843    0.00403
-   0    7    7   14 N          2863.41672    0.00019   7475.614    0.000 B-  -5144.364    0.025  14 003074.00446    0.00021
-  -2    6    8   14 O          8007.781      0.025     7052.278    0.002 B- -23956.622   41.119  14 008596.706      0.027
-  -4    5    9   14 F    -p   31964.402     41.119     5285.208    2.937 B-      *               14 034315.199     44.142
-0  7   11    4   15 Be   -n   49825.815    165.797     4540.970   11.053 B-  20867.573  167.126  15 053490.215    177.990
-   5   10    5   15 B         28958.242     21.032     5879.985    1.402 B-  19085.098   21.047  15 031087.953     22.578
-   3    9    6   15 C    -n    9873.144      0.800     7100.169    0.053 B-   9771.705    0.800  15 010599.256      0.858
-   1    8    7   15 N           101.43871    0.00060   7699.460    0.000 B-  -2754.166    0.491  15 000108.89894    0.00065
-  -1    7    8   15 O          2855.605      0.491     7463.692    0.033 B- -13711.146   14.009  15 003065.618      0.526
-  -3    6    9   15 F    -p   16566.751     14.000     6497.459    0.933 B- -23648.622   68.138  15 017785.139     15.029
-  -5    5   10   15 Ne  -pp   40215.373     66.684     4868.728    4.446 B-      *               15 043172.980     71.588
-0  8   12    4   16 Be  -nn   57447.132    165.797     4285.285   10.362 B-  20334.623  167.608  16 061672.036    177.990
-   6   11    5   16 B         37112.510     24.569     5507.302    1.536 B-  23418.378   24.828  16 039841.920     26.375
-   4   10    6   16 C   -nn   13694.132      3.578     6922.054    0.224 B-   8010.225    4.254  16 014701.256      3.840
-   2    9    7   16 N    -n    5683.907      2.301     7373.796    0.144 B-  10420.908    2.301  16 006101.925      2.470
-   0    8    8   16 O         -4737.00135    0.00016   7976.206    0.000 B- -15417.254    8.321  15 994914.61960    0.00017
-  -2    7    9   16 F     -   10680.253      8.321     6963.731    0.520 B- -13306.523   22.106  16 011465.723      8.932
-  -4    6   10   16 Ne   --   23986.776     20.480     6083.177    1.280 B-      *               16 025750.864     21.986
-0  7   12    5   17 B     x   43716.317    204.104     5269.667   12.006 B-  22684.419  204.841  17 046931.399    219.114
-   5   11    6   17 C  2p-n   21031.898     17.365     6558.024    1.021 B-  13161.820   22.946  17 022578.672     18.641
-   3   10    7   17 N    +p    7870.079     15.000     7286.229    0.882 B-   8678.842   15.000  17 008448.877     16.103
-   1    9    8   17 O          -808.76348    0.00066   7750.728    0.000 B-  -2760.465    0.248  16 999131.75664    0.00070
-  -1    8    9   17 F          1951.702      0.248     7542.328    0.015 B- -14548.746    0.432  17 002095.238      0.266
-  -3    7   10   17 Ne        16500.447      0.354     6640.499    0.021 B- -18672.766 1001.356  17 017713.959      0.380
-  -5    6   11   17 Na    x   35173.214   1001.356     5496.080   58.903 B-      *               17 037760.000   1075.000
-0  8   13    5   18 B    -n   51792.634    204.165     4976.630   11.342 B-  26873.370  206.357  18 055601.682    219.180
-   6   12    6   18 C    ++   24919.264     30.000     6426.131    1.667 B-  11806.096   35.282  18 026751.932     32.206
-   4   11    7   18 N     +   13113.168     18.570     7038.562    1.032 B-  13895.984   18.570  18 014077.565     19.935
-   2   10    8   18 O          -782.81560    0.00071   7767.097    0.000 B-  -1655.929    0.463  17 999159.61284    0.00076
-   0    9    9   18 F           873.113      0.463     7631.638    0.026 B-  -4444.501    0.589  18 000937.325      0.497
-  -2    8   10   18 Ne         5317.614      0.363     7341.257    0.020 B- -19720.374   93.882  18 005708.693      0.390
-  -4    7   11   18 Na        25037.988     93.881     6202.217    5.216 B-      *               18 026879.386    100.785
-0  9   14    5   19 B     x   59770.244    525.363     4719.634   27.651 B-  27356.492  534.496  19 064166.000    564.000
-   7   13    6   19 C    -n   32413.752     98.389     6118.273    5.178 B-  16557.471   99.748  19 034797.596    105.625
-   5   12    7   19 N  p-2n   15856.282     16.404     6948.543    0.863 B-  12523.424   16.614  19 017022.419     17.610
-   3   11    8   19 O    -n    3332.858      2.637     7566.495    0.139 B-   4820.302    2.637  19 003577.970      2.830
-   1   10    9   19 F         -1487.44420    0.00086   7779.018    0.000 B-  -3239.494    0.160  18 998403.16288    0.00093
-  -1    9   10   19 Ne  +3n    1752.050      0.160     7567.343    0.008 B- -11177.340   10.536  19 001880.903      0.171
-  -3    8   11   19 Na        12929.390     10.535     6937.885    0.554 B- -18898.998   51.099  19 013880.272     11.309
-  -5    7   12   19 Mg  -pp   31828.389     50.001     5902.025    2.632 B-      *               19 034169.182     53.678
-0 10   15    5   20 B     x   68450#       800#        4453#      40#    B-  30946#     833#     20 073484#       859#
-   8   14    6   20 C     x   37503.563    230.625     5961.435   11.531 B-  15737.067  243.746  20 040261.732    247.585
-   6   13    7   20 N     x   21766.496     78.894     6709.171    3.945 B-  17970.324   78.899  20 023367.295     84.696
-   4   12    8   20 O   -nn    3796.172      0.885     7568.570    0.044 B-   3813.635    0.885  20 004075.358      0.950
-   2   11    9   20 F    -n     -17.463      0.030     7720.134    0.002 B-   7024.467    0.030  19 999981.252      0.031
-   0   10   10   20 Ne        -7041.93055    0.00157   8032.240    0.000 B- -13892.535    1.114  19 992440.17619    0.00168
-  -2    9   11   20 Na         6850.604      1.114     7298.496    0.056 B- -10627.088    2.171  20 007354.426      1.195
-  -4    8   12   20 Mg   +t   17477.692      1.863     6728.025    0.093 B-      *               20 018763.075      2.000
-0 11   16    5   21 B     x   77330#       900#        4203#      43#    B-  31687#    1079#     21 083017#       966#
-   9   15    6   21 C     x   45643#       596#        5674#      28#    B-  20411#     611#     21 049000#       640#
-   7   14    7   21 N     x   25231.913    134.048     6609.015    6.383 B-  17169.878  134.584  21 027087.573    143.906
-   5   13    8   21 O   -3n    8062.035     12.000     7389.374    0.571 B-   8109.640   12.134  21 008654.950     12.882
-   3   12    9   21 F   -nn     -47.605      1.800     7738.293    0.086 B-   5684.171    1.800  20 999948.894      1.932
-   1   11   10   21 Ne        -5731.776      0.038     7971.713    0.002 B-  -3547.145    0.090  20 993846.685      0.041
-  -1   10   11   21 Na        -2184.631      0.098     7765.547    0.005 B- -13088.480    0.761  20 997654.702      0.105
-  -3    9   12   21 Mg    x   10903.850      0.755     7105.031    0.036 B- -16086#     596#     21 011705.764      0.810
-  -5    8   13   21 Al    x   26990#       596#        6302#      28#    B-      *               21 028975#       640#
-0 10   16    6   22 C   -nn   53611.197    231.490     5421.077   10.522 B-  21846.396  311.063  22 057553.990    248.515
-   8   15    7   22 N     x   31764.801    207.779     6378.534    9.445 B-  22481.768  215.435  22 034100.918    223.060
-   6   14    8   22 O   -4n    9283.033     56.921     7364.871    2.587 B-   6489.660   58.256  22 009965.746     61.107
-   4   13    9   22 F     +    2793.373     12.399     7624.295    0.564 B-  10818.092   12.399  22 002998.809     13.310
-   2   12   10   22 Ne        -8024.719      0.018     8080.465    0.001 B-  -2843.207    0.171  21 991385.109      0.018
-   0   11   11   22 Na        -5181.511      0.171     7915.667    0.008 B-  -4781.578    0.321  21 994437.418      0.183
-  -2   10   12   22 Mg         -399.933      0.313     7662.761    0.014 B- -18601#     401#     21 999570.654      0.335
-  -4    9   13   22 Al    x   18201#       401#        6782#      18#    B- -15137#     643#     22 019540#       430#
-  -6    8   14   22 Si    x   33338#       503#        6058#      23#    B-      *               22 035790#       540#
-0 11   17    6   23 C     x   64171#       997#        5077#      43#    B-  27450#    1082#     23 068890#      1070#
-   9   16    7   23 N     x   36720.425    420.570     6236.671   18.286 B-  22099.056  437.827  23 039421.000    451.500
-   7   15    8   23 O     x   14621.369    121.712     7163.485    5.292 B-  11336.106  126.190  23 015696.686    130.663
-   5   14    9   23 F          3285.263     33.320     7622.344    1.449 B-   8439.312   33.321  23 003526.874     35.770
-   3   13   10   23 Ne   -n   -5154.049      0.104     7955.256    0.005 B-   4375.804    0.104  22 994466.900      0.112
-   1   12   11   23 Na        -9529.85248    0.00181   8111.493    0.000 B-  -4056.340    0.158  22 989769.28199    0.00194
-  -1   11   12   23 Mg    -   -5473.513      0.158     7901.115    0.007 B- -12221.583    0.379  22 994123.941      0.170
-  -3   10   13   23 Al   --    6748.070      0.345     7335.727    0.015 B- -16949#     503#     23 007244.351      0.370
-  -5    9   14   23 Si    x   23697#       503#        6565#      22#    B-      *               23 025440#       540#
-0 10   17    7   24 N     x   46938#       401#        5887#      17#    B-  28438#     433#     24 050390#       430#
-   8   16    8   24 O     x   18500.402    164.874     7039.685    6.870 B-  10955.887  191.633  24 019861.000    177.000
-   6   15    9   24 F     x    7544.515     97.670     7463.582    4.070 B-  13496.161   97.672  24 008099.370    104.853
-   4   14   10   24 Ne  -nn   -5951.646      0.513     7993.325    0.021 B-   2466.255    0.513  23 993610.645      0.550
-   2   13   11   24 Na   -n   -8417.901      0.017     8063.488    0.001 B-   5515.669    0.021  23 990963.011      0.017
-   0   12   12   24 Mg       -13933.569      0.013     8260.709    0.001 B- -13884.704    0.233  23 985041.697      0.014
-  -2   11   13   24 Al   ep     -48.865      0.233     7649.582    0.010 B- -10794.060   19.473  23 999947.541      0.250
-  -4   10   14   24 Si   --   10745.195     19.472     7167.232    0.811 B- -22574#     503#     24 011535.441     20.904
-  -6    9   15   24 P     x   33320#       503#        6194#      21#    B-      *               24 035770#       540#
-0 11   18    7   25 N     x   55983#       503#        5613#      20#    B-  28654#     529#     25 060100#       540#
-   9   17    8   25 O    -n   27329.027    165.084     6727.805    6.603 B-  15994.862  191.191  25 029338.919    177.225
-   7   16    9   25 F     x   11334.166     96.442     7336.306    3.858 B-  13369.667  100.721  25 012167.727    103.535
-   5   15   10   25 Ne        -2035.502     29.045     7839.799    1.162 B-   7322.312   29.070  24 997814.799     31.181
-   3   14   11   25 Na  -nn   -9357.813      1.200     8101.397    0.048 B-   3834.969    1.201  24 989953.973      1.288
-   1   13   12   25 Mg       -13192.783      0.047     8223.502    0.002 B-  -4276.808    0.045  24 985836.964      0.050
-  -1   12   13   25 Al        -8915.975      0.065     8021.136    0.003 B- -12743.299   10.000  24 990428.306      0.069
-  -3   11   14   25 Si  +3n    3827.324     10.000     7480.110    0.400 B- -15911#     401#     25 004108.801     10.735
-  -5   10   15   25 P     x   19738#       401#        6812#      16#    B-      *               25 021190#       430#
-0 10   18    8   26 O   -nn   34661.037    164.950     6497.478    6.344 B-  16012.161  198.932  26 037210.155    177.081
-   8   17    9   26 F     x   18648.875    111.199     7083.240    4.277 B-  18167.762  112.716  26 020020.392    119.377
-   6   16   10   26 Ne    x     481.114     18.429     7751.910    0.709 B-   7341.893   18.758  26 000516.496     19.784
-   4   15   11   26 Na    x   -6860.780      3.502     8004.201    0.135 B-   9353.763    3.502  25 992634.649      3.759
-   2   14   12   26 Mg       -16214.542      0.030     8333.870    0.001 B-  -4004.391    0.063  25 982592.971      0.032
-   0   13   13   26 Al       -12210.151      0.067     8149.765    0.003 B-  -5069.136    0.085  25 986891.863      0.071
-  -2   12   14   26 Si    -   -7141.015      0.108     7924.708    0.004 B- -18114#     196#     25 992333.804      0.115
-  -4   11   15   26 P     x   10973#       196#        7198#       8#    B- -16106#     627#     26 011780#       210#
-  -6   10   16   26 S     x   27079#       596#        6548#      23#    B-      *               26 029070#       640#
-0 11   19    8   27 O     x   44670#       500#        6185#      19#    B-  19220#     634#     27 047955#       537#
-   9   18    9   27 F     x   25450.279    389.830     6867.932   14.438 B-  18399.370  400.258  27 027322.000    418.500
-   7   17   10   27 Ne    x    7050.909     90.770     7520.414    3.362 B-  12568.699   90.847  27 007569.462     97.445
-   5   16   11   27 Na   ++   -5517.790      3.726     7956.946    0.138 B-   9068.821    3.727  26 994076.408      4.000
-   3   15   12   27 Mg   -n  -14586.611      0.050     8263.852    0.002 B-   2610.251    0.069  26 984340.628      0.053
-   1   14   13   27 Al       -17196.861      0.047     8331.553    0.002 B-  -4812.359    0.096  26 981538.408      0.050
-  -1   13   14   27 Si    -  -12384.503      0.107     8124.341    0.004 B- -11662.044   26.340  26 986704.688      0.115
-  -3   12   15   27 P   p4n    -722.458     26.340     7663.438    0.976 B- -17750#     400#     26 999224.409     28.277
-  -5   11   16   27 S     -   17028#       401#        6977#      15#    B-      *               27 018280#       430#
-0 12   20    8   28 O     x   52080#       699#        5988#      25#    B-  18338#     802#     28 055910#       750#
-  10   19    9   28 F    -n   33741.596    393.024     6614.792   14.037 B-  22441.859  412.748  28 036223.095    421.928
-   8   18   10   28 Ne    x   11299.737    126.068     7388.346    4.502 B-  12288.052  126.483  28 012130.767    135.339
-   6   17   11   28 Na    x    -988.315     10.246     7799.264    0.366 B-  14030.529   10.440  27 998939.000     11.000
-   4   16   12   28 Mg    +  -15018.845      2.001     8272.413    0.071 B-   1831.800    2.000  27 983876.606      2.148
-   2   15   13   28 Al   -n  -16850.645      0.077     8309.894    0.003 B-   4642.150    0.077  27 981910.087      0.083
-   0   14   14   28 Si       -21492.79430    0.00049   8447.744    0.000 B- -14345.055    1.152  27 976926.53499    0.00052
-  -2   13   15   28 P         -7147.740      1.152     7907.479    0.041 B- -11220.945  160.004  27 992326.585      1.236
-  -4   12   16   28 S    --    4073.206    160.000     7478.790    5.714 B- -23443#     617#     28 004372.766    171.767
-  -6   11   17   28 Cl    x   27516#       596#        6614#      21#    B-      *               28 029540#       640#
-0 11   20    9   29 F     x   40150.186    525.363     6444.031   18.116 B-  21750.385  546.221  29 043103.000    564.000
-   9   19   10   29 Ne    x   18399.801    149.505     7167.067    5.155 B-  15719.807  149.685  29 019753.000    160.500
-   7   18   11   29 Na         2679.994      7.337     7682.151    0.253 B-  13282.824   13.557  29 002877.092      7.876
-   5   17   12   29 Mg    x  -10602.829     11.400     8113.202    0.393 B-   7604.931   11.405  28 988617.393     12.238
-   3   16   13   29 Al    x  -18207.760      0.345     8348.464    0.012 B-   3687.318    0.345  28 980453.164      0.370
-   1   15   14   29 Si       -21895.07838    0.00056   8448.635    0.000 B-  -4942.230    0.359  28 976494.66525    0.00060
-  -1   14   15   29 P        -16952.848      0.359     8251.236    0.012 B- -13796.432   50.001  28 981800.368      0.385
-  -3   13   16   29 S   +3n   -3156.416     50.000     7748.520    1.724 B- -16318.592  195.192  28 996611.448     53.677
-  -5   12   17   29 Cl   -p   13162.176    188.680     7158.832    6.506 B-      *               29 014130.178    202.555
-0 12   21    9   30 F     x   48112#       596#        6233#      20#    B-  24832#     648#     30 051650#       640#
-  10   20   10   30 Ne        23280.117    253.250     7034.531    8.442 B-  14805.448  253.295  30 024992.235    271.875
-   8   19   11   30 Na         8474.670      4.727     7501.968    0.158 B-  17358.490    5.850  30 009097.932      5.074
-   6   18   12   30 Mg    x   -8883.820      3.447     8054.506    0.115 B-   6981.024    4.496  29 990462.826      3.700
-   4   17   13   30 Al    x  -15864.844      2.888     8261.128    0.096 B-   8568.116    2.888  29 982968.388      3.100
-   2   16   14   30 Si   -n  -24432.960      0.022     8520.654    0.001 B-  -4232.106    0.061  29 973770.136      0.023
-   0   15   15   30 P     -  -20200.854      0.065     8353.506    0.002 B-  -6141.601    0.196  29 978313.489      0.069
-  -2   14   16   30 S     -  -14059.253      0.206     8122.707    0.007 B- -18502#     196#     29 984906.769      0.221
-  -4   13   17   30 Cl    x    4443#       196#        7480#       7#    B- -16488#     284#     30 004770#       210#
-  -6   12   18   30 Ar  -pp   20931.147    206.155     6904.204    6.872 B-      *               30 022470.511    221.316
-0 13   22    9   31 F   -nn   56143#       546#        6033#      18#    B-  24961#     608#     31 060272#       587#
-  11   21   10   31 Ne        31181.591    266.195     6813.090    8.587 B-  18935.559  266.562  31 033474.816    285.772
-   9   20   11   31 Na    x   12246.031     13.972     7398.677    0.451 B-  15368.182   14.307  31 013146.656     15.000
-   7   19   12   31 Mg    x   -3122.151      3.074     7869.188    0.099 B-  11828.555    3.801  30 996648.232      3.300
-   5   18   13   31 Al    x  -14950.706      2.236     8225.517    0.072 B-   7998.330    2.236  30 983949.756      2.400
-   3   17   14   31 Si   -n  -22949.036      0.043     8458.291    0.001 B-   1491.505    0.043  30 975363.194      0.046
-   1   16   15   31 P        -24440.54095    0.00067   8481.167    0.000 B-  -5398.016    0.229  30 973761.99863    0.00072
-  -1   15   16   31 S        -19042.525      0.229     8281.800    0.007 B- -12007.974    3.454  30 979557.007      0.246
-  -3   14   17   31 Cl   --   -7034.551      3.447     7869.209    0.111 B- -18360#     200#     30 992448.098      3.700
-  -5   13   18   31 Ar    -   11325#       200#        7252#       6#    B-      *               31 012158#       215#
-0 12   22   10   32 Ne    x   36999#       503#        6671#      16#    B-  18359#     504#     32 039720#       540#
-  10   21   11   32 Na    x   18640.151     37.260     7219.881    1.164 B-  19469.051   37.402  32 020011.026     40.000
-   8   20   12   32 Mg    x    -828.900      3.260     7803.840    0.102 B-  10270.467    7.879  31 999110.139      3.500
-   6   19   13   32 Al    x  -11099.367      7.173     8100.344    0.224 B-  12978.319    7.179  31 988084.339      7.700
-   4   18   14   32 Si    x  -24077.686      0.298     8481.468    0.009 B-    227.188    0.301  31 974151.539      0.320
-   2   17   15   32 P    -n  -24304.874      0.040     8464.120    0.001 B-   1710.660    0.040  31 973907.643      0.042
-   0   16   16   32 S        -26015.53355    0.00132   8493.129    0.000 B- -12680.860    0.562  31 972071.17443    0.00141
-  -2   15   17   32 Cl       -13334.674      0.562     8072.404    0.018 B- -11134.323    1.857  31 985684.637      0.603
-  -4   14   18   32 Ar    x   -2200.351      1.770     7700.008    0.055 B- -23299#     401#     31 997637.826      1.900
-  -6   13   19   32 K     x   21098#       401#        6947#      13#    B-      *               32 022650#       430#
-0 13   23   10   33 Ne    x   45997#       596#        6440#      18#    B-  22217#     747#     33 049380#       640#
-  11   22   11   33 Na    x   23780.110    449.912     7089.926   13.634 B-  18817.813  449.921  33 025529.000    483.000
-   9   21   12   33 Mg    x    4962.297      2.888     7636.455    0.088 B-  13459.677    7.559  33 005327.245      3.100
-   7   20   13   33 Al    x   -8497.380      6.986     8020.616    0.212 B-  12016.945    7.021  32 990877.687      7.500
-   5   19   14   33 Si    x  -20514.325      0.699     8361.059    0.021 B-   5823.021    1.295  32 977976.964      0.750
-   3   18   15   33 P     +  -26337.346      1.090     8513.806    0.033 B-    248.508    1.090  32 971725.694      1.170
-   1   17   16   33 S        -26585.85434    0.00135   8497.630    0.000 B-  -5582.517    0.391  32 971458.90985    0.00145
-  -1   16   17   33 Cl       -21003.337      0.391     8304.755    0.012 B- -11619.044    0.560  32 977451.989      0.419
-  -3   15   18   33 Ar    x   -9384.292      0.401     7928.955    0.012 B- -16426#     196#     32 989925.547      0.430
-  -5   14   19   33 K     x    7042#       196#        7407#       6#    B-      *               33 007560#       210#
-0 14   24   10   34 Ne  -nn   52842#       513#        6287#      15#    B-  21161#     789#     34 056728#       551#
-  12   23   11   34 Na    x   31680.111    599.416     6886.437   17.630 B-  23356.764  600.112  34 034010.000    643.500
-  10   22   12   34 Mg    x    8323.348     28.876     7550.390    0.849 B-  11323.637   29.039  34 008935.481     31.000
-   8   21   13   34 Al    x   -3000.289      3.074     7860.428    0.090 B-  16956.563   14.448  33 996779.057      3.300
-   6   20   14   34 Si  +pp  -19956.852     14.118     8336.141    0.415 B-   4591.847   14.141  33 978575.437     15.155
-   4   19   15   34 P     x  -24548.698      0.810     8448.185    0.024 B-   5382.987    0.812  33 973645.887      0.870
-   2   18   16   34 S        -29931.685      0.045     8583.498    0.001 B-  -5491.603    0.038  33 967867.012      0.047
-   0   17   17   34 Cl       -24440.082      0.049     8398.970    0.001 B-  -6061.792    0.063  33 973762.491      0.052
-  -2   16   18   34 Ar       -18378.290      0.078     8197.672    0.002 B- -17158#     196#     33 980270.093      0.083
-  -4   15   19   34 K     x   -1220#       196#        7670#       6#    B- -15072#     357#     33 998690#       210#
-  -6   14   20   34 Ca    x   13851#       298#        7204#       9#    B-      *               34 014870#       320#
-0 13   24   11   35 Na   -n   38231#       670#        6733#      19#    B-  22592#     723#     35 041043#       720#
-  11   23   12   35 Mg    x   15639.784    269.668     7356.233    7.705 B-  15863.512  269.768  35 016790.000    289.500
-   9   22   13   35 Al    x    -223.728      7.359     7787.124    0.210 B-  14167.729   36.605  34 999759.817      7.900
-   7   21   14   35 Si 2p-n  -14391.457     35.857     8169.563    1.024 B-  10466.342   35.905  34 984550.134     38.494
-   5   20   15   35 P    +p  -24857.799      1.866     8446.249    0.053 B-   3988.407    1.867  34 973314.053      2.003
-   3   19   16   35 S        -28846.206      0.040     8537.850    0.001 B-    167.322    0.026  34 969032.322      0.043
-   1   18   17   35 Cl       -29013.528      0.035     8520.278    0.001 B-  -5966.243    0.679  34 968852.694      0.038
-  -1   17   18   35 Ar    -  -23047.284      0.680     8327.461    0.019 B- -11874.394    0.852  34 975257.721      0.730
-  -3   16   19   35 K    4n  -11172.891      0.512     7965.840    0.015 B- -15961#     196#     34 988005.407      0.550
-  -5   15   20   35 Ca    x    4788#       196#        7487#       6#    B-      *               35 005140#       210#
-0 14   25   11   36 Na   -n   46303#       678#        6546#      19#    B-  25923#     967#     36 049708#       728#
-  12   24   12   36 Mg    x   20380.157    690.237     7244.419   19.173 B-  14429.774  706.243  36 021879.000    741.000
-  10   23   13   36 Al    x    5950.384    149.505     7623.515    4.153 B-  18386.508  165.851  36 006388.000    160.500
-   8   22   14   36 Si    x  -12436.124     71.797     8112.519    1.994 B-   7814.911   72.985  35 986649.271     77.077
-   6   21   15   36 P     +  -20251.034     13.114     8307.868    0.364 B-  10413.096   13.112  35 978259.619     14.078
-   4   20   16   36 S        -30664.131      0.188     8575.389    0.005 B-  -1142.126    0.189  35 967080.699      0.201
-   2   19   17   36 Cl       -29522.005      0.036     8521.931    0.001 B-    709.535    0.045  35 968306.822      0.038
-   0   18   18   36 Ar       -30231.540      0.027     8519.909    0.001 B- -12814.475    0.342  35 967545.105      0.028
-  -2   17   19   36 K        -17417.065      0.341     8142.219    0.009 B- -10965.916   40.001  35 981302.010      0.366
-  -4   16   20   36 Ca   4n   -6451.149     40.000     7815.879    1.111 B- -21802#     301#     35 993074.406     42.941
-  -6   15   21   36 Sc    x   15351#       298#        7189#       8#    B-      *               36 016480#       320#
-0 15   26   11   37 Na  -nn   53534#       687#        6392#      19#    B-  25323#     980#     37 057471#       737#
-  13   25   12   37 Mg   -n   28211.474    698.947     7055.111   18.890 B-  18401.911  721.814  37 030286.265    750.350
-  11   24   13   37 Al    x    9809.563    180.244     7531.315    4.871 B-  16381.075  213.168  37 010531.000    193.500
-   9   23   14   37 Si    x   -6571.511    113.809     7952.903    3.076 B-  12424.486  119.969  36 992945.191    122.179
-   7   22   15   37 P  p-2n  -18995.998     37.948     8267.555    1.026 B-   7900.419   37.947  36 979606.956     40.738
-   5   21   16   37 S    -n  -26896.417      0.198     8459.935    0.005 B-   4865.121    0.196  36 971125.507      0.212
-   3   20   17   37 Cl       -31761.538      0.052     8570.281    0.001 B-   -813.873    0.200  36 965902.584      0.055
-   1   19   18   37 Ar    -  -30947.664      0.207     8527.139    0.006 B-  -6147.465    0.227  36 966776.314      0.221
-  -1   18   19   37 K    -p  -24800.199      0.094     8339.847    0.003 B- -11664.133    0.641  36 973375.889      0.100
-  -3   17   20   37 Ca    x  -13136.066      0.634     8003.456    0.017 B- -16656#     300#     36 985897.852      0.680
-  -5   16   21   37 Sc    x    3520#       300#        7532#       8#    B-      *               37 003779#       322#
-0 14   26   12   38 Mg    x   34074#       503#        6928#      13#    B-  17864#     627#     38 036580#       540#
-  12   25   13   38 Al    x   16209.859    374.461     7377.097    9.854 B-  20380.157  388.847  38 017402.000    402.000
-  10   24   14   38 Si    x   -4170.299    104.793     7892.829    2.758 B-  10451.265  127.474  37 995523.000    112.500
-   8   23   15   38 P     x  -14621.563     72.581     8147.274    1.910 B-  12239.640   72.934  37 984303.105     77.918
-   6   22   16   38 S     +  -26861.203      7.172     8448.782    0.189 B-   2936.900    7.171  37 971163.310      7.699
-   4   21   17   38 Cl   -n  -29798.103      0.098     8505.481    0.003 B-   4916.718    0.218  37 968010.418      0.105
-   2   20   18   38 Ar       -34714.821      0.195     8614.280    0.005 B-  -5914.066    0.045  37 962732.104      0.209
-   0   19   19   38 K        -28800.755      0.195     8438.058    0.005 B-  -6742.256    0.063  37 969081.116      0.209
-  -2   18   20   38 Ca       -22058.499      0.194     8240.043    0.005 B- -17809#     200#     37 976319.226      0.208
-  -4   17   21   38 Sc    x   -4249#       200#        7751#       5#    B- -15119#     361#     37 995438#       215#
-  -6   16   22   38 Ti    x   10870#       300#        7332#       8#    B-      *               38 011669#       322#
-0 15   27   12   39 Mg   -n   42275#       513#        6747#      13#    B-  21625#     650#     39 045384#       551#
-  13   26   13   39 Al    x   20650#       400#        7281#      10#    B-  18330#     422#     39 022169#       429#
-  11   25   14   39 Si    x    2320.352    135.532     7730.979    3.475 B-  15094.986  176.232  39 002491.000    145.500
-   9   24   15   39 P     x  -12774.634    112.645     8097.969    2.888 B-  10388.033  123.243  38 986285.865    120.929
-   7   23   16   39 S  2p-n  -23162.667     50.000     8344.269    1.282 B-   6637.538   50.030  38 975133.852     53.677
-   5   22   17   39 Cl  -nn  -29800.205      1.732     8494.402    0.044 B-   3441.985    5.292  38 968008.162      1.859
-   3   21   18   39 Ar    +  -33242.190      5.000     8562.598    0.128 B-    565.000    5.000  38 964313.039      5.367
-   1   20   19   39 K        -33807.19010    0.00458   8557.025    0.000 B-  -6524.488    0.596  38 963706.48661    0.00492
-  -1   19   20   39 Ca       -27282.702      0.596     8369.670    0.015 B- -13109.993   24.007  38 970710.813      0.640
-  -3   18   21   39 Sc 2n-p  -14172.709     24.000     8013.456    0.615 B- -16373#     202#     38 984784.970     25.765
-  -5   17   22   39 Ti    x    2200#       200#        7574#       5#    B-      *               39 002362#       215#
-0 16   28   12   40 Mg    x   48350#       500#        6628#      13#    B-  20760#     640#     40 051906#       537#
-  14   27   13   40 Al    x   27590#       400#        7127#      10#    B-  22160#     528#     40 029619#       429#
-  12   26   14   40 Si    x    5429.679    345.119     7661.754    8.628 B-  13544.049  377.749  40 005829.000    370.500
-  10   25   15   40 P     x   -8114.370    153.582     7980.796    3.840 B-  14723.476  153.633  39 991288.865    164.876
-   8   24   16   40 S        -22837.846      3.982     8329.325    0.100 B-   4719.967   32.312  39 975482.562      4.274
-   6   23   17   40 Cl    +  -27557.813     32.066     8427.765    0.802 B-   7482.082   32.066  39 970415.469     34.423
-   4   22   18   40 Ar       -35039.89464    0.00224   8595.259    0.000 B-  -1504.403    0.056  39 962383.12378    0.00240
-   2   21   19   40 K        -33535.492      0.056     8538.090    0.001 B-   1310.893    0.060  39 963998.166      0.060
-   0   20   20   40 Ca       -34846.384      0.021     8551.303    0.001 B- -14323.050    2.828  39 962590.865      0.022
-  -2   19   21   40 Sc    -  -20523.335      2.828     8173.669    0.071 B- -11672.950  160.025  39 977967.292      3.036
-  -4   18   22   40 Ti   --   -8850.384    160.000     7862.286    4.000 B- -21020#     340#     39 990498.721    171.767
-  -6   17   23   40 V     x   12170#       300#        7317#       7#    B-      *               40 013065#       322#
-0 15   28   13   41 Al    x   33420#       500#        7008#      12#    B-  21300#     747#     41 035878#       537#
-  13   27   14   41 Si    x   12119.668    554.705     7508.573   13.529 B-  17099.435  567.571  41 013011.000    595.500
-  11   26   15   41 P     x   -4979.767    120.163     7906.551    2.931 B-  14028.810  120.233  40 994654.000    129.000
-   9   25   16   41 S     x  -19008.577      4.099     8229.635    0.100 B-   8298.611   68.846  40 979593.451      4.400
-   7   24   17   41 Cl    x  -27307.189     68.723     8412.959    1.676 B-   5760.317   68.724  40 970684.525     73.777
-   5   23   18   41 Ar   -n  -33067.505      0.347     8534.372    0.008 B-   2492.038    0.347  40 964500.571      0.372
-   3   22   19   41 K        -35559.54331    0.00380   8576.072    0.000 B-   -421.653    0.138  40 961825.25796    0.00408
-   1   21   20   41 Ca       -35137.890      0.138     8546.706    0.003 B-  -6495.478    0.158  40 962277.921      0.147
-  -1   20   21   41 Sc       -28642.412      0.083     8369.198    0.002 B- -12944.875   27.945  40 969251.104      0.088
-  -3   19   22   41 Ti    x  -15697.537     27.945     8034.388    0.682 B- -16018#     202#     40 983148.000     30.000
-  -5   18   23   41 V     x     320#       200#        7625#       5#    B-      *               41 000344#       215#
-0 16   29   13   42 Al    x   40100#       600#        6874#      14#    B-  23630#     781#     42 043049#       644#
-  14   28   14   42 Si    x   16470#       500#        7418#      12#    B-  15460#     591#     42 017681#       537#
-  12   27   15   42 P     x    1009.740    314.379     7767.866    7.485 B-  18647.485  314.392  42 001084.000    337.500
-  10   26   16   42 S     x  -17637.746      2.794     8193.227    0.067 B-   7194.021   59.681  41 981065.100      3.000
-   8   25   17   42 Cl    x  -24831.767     59.616     8345.886    1.419 B-   9590.908   59.895  41 973342.000     64.000
-   6   24   18   42 Ar    x  -34422.675      5.775     8555.613    0.138 B-    599.351    5.776  41 963045.736      6.200
-   4   23   19   42 K    -n  -35022.026      0.106     8551.256    0.003 B-   3525.219    0.183  41 962402.306      0.113
-   2   22   20   42 Ca       -38547.245      0.149     8616.563    0.004 B-  -6426.092    0.097  41 958617.828      0.159
-   0   21   21   42 Sc       -32121.153      0.169     8444.933    0.004 B-  -7016.479    0.224  41 965516.522      0.181
-  -2   20   22   42 Ti       -25104.674      0.277     8259.247    0.007 B- -17485#     196#     41 973049.022      0.297
-  -4   19   23   42 V     x   -7620#       196#        7824#       5#    B- -14350#     445#     41 991820#       210#
-  -6   18   24   42 Cr    x    6730#       400#        7464#      10#    B-      *               42 007225#       429#
-0 17   30   13   43 Al    x   47020#       800#        6741#      19#    B-  23919#     998#     43 050478#       859#
-  15   29   14   43 Si    x   23101#       596#        7279#      14#    B-  18421#     814#     43 024800#       640#
-  13   28   15   43 P     x    4679.826    554.705     7689.572   12.900 B-  16875.285  554.727  43 005024.000    595.500
-  11   27   16   43 S     x  -12195.459      4.970     8063.827    0.116 B-  11964.049   62.058  42 986907.635      5.335
-   9   26   17   43 Cl    x  -24159.508     61.858     8323.866    1.439 B-   7850.300   62.086  42 974063.700     66.407
-   7   25   18   43 Ar    x  -32009.808      5.310     8488.237    0.123 B-   4565.581    5.325  42 965636.055      5.700
-   5   24   19   43 K   -4n  -36575.389      0.410     8576.220    0.010 B-   1833.434    0.469  42 960734.703      0.440
-   3   23   20   43 Ca       -38408.822      0.228     8600.663    0.005 B-  -2220.720    1.865  42 958766.430      0.244
-   1   22   21   43 Sc   -p  -36188.102      1.863     8530.825    0.043 B-  -6867.020    7.481  42 961150.472      1.999
-  -1   21   22   43 Ti -n2p  -29321.082      7.245     8352.932    0.168 B- -11404.726   43.457  42 968522.521      7.777
-  -3   20   23   43 V     x  -17916.356     42.849     8069.512    0.996 B- -15946#     402#     42 980766.000     46.000
-  -5   19   24   43 Cr    x   -1970#       400#        7680#       9#    B-      *               42 997885#       429#
-0 16   30   14   44 Si    x   28513#       596#        7174#      14#    B-  18063#     778#     44 030610#       640#
-  14   29   15   44 P     x   10450#       500#        7567#      11#    B-  19655#     500#     44 011219#       537#
-  12   28   16   44 S     x   -9204.233      5.216     7996.015    0.119 B-  11180.290  136.421  43 990118.848      5.600
-  10   27   17   44 Cl    x  -20384.523    136.321     8232.332    3.098 B-  12288.731  136.330  43 978116.312    146.346
-   8   26   18   44 Ar    x  -32673.255      1.584     8493.840    0.036 B-   3108.237    1.638  43 964923.816      1.700
-   6   25   19   44 K     x  -35781.492      0.419     8546.701    0.010 B-   5687.183    0.530  43 961586.986      0.450
-   4   24   20   44 Ca       -41468.675      0.325     8658.175    0.007 B-  -3652.690    1.757  43 955481.543      0.348
-   2   23   21   44 Sc   -p  -37815.985      1.756     8557.379    0.040 B-   -267.416    1.890  43 959402.867      1.884
-   0   22   22   44 Ti   -a  -37548.569      0.700     8533.520    0.016 B- -13432.189  181.643  43 959689.951      0.751
-  -2   21   23   44 V     x  -24116.380    181.641     8210.463    4.128 B- -10756#     351#     43 974110.000    195.000
-  -4   20   24   44 Cr    x  -13360#       300#        7948#       7#    B- -20390#     583#     43 985657#       322#
-  -6   19   25   44 Mn    x    7030#       500#        7467#      11#    B-      *               44 007547#       537#
-0 17   31   14   45 Si    x   37490#       700#        6995#      16#    B-  21890#     860#     45 040247#       751#
-  15   30   15   45 P     x   15600#       500#        7464#      11#    B-  19589#    1150#     45 016747#       537#
-  13   29   16   45 S     x   -3989.589   1035.356     7881.807   23.008 B-  14272.954 1044.271  44 995717.000   1111.500
-  11   28   17   45 Cl    x  -18262.543    136.163     8181.598    3.026 B-  11508.254  136.164  44 980394.353    146.177
-   9   27   18   45 Ar    x  -29770.796      0.512     8419.952    0.011 B-   6844.841    0.731  44 968039.733      0.550
-   7   26   19   45 K     x  -36615.638      0.522     8554.674    0.012 B-   4196.536    0.637  44 960691.493      0.560
-   5   25   20   45 Ca       -40812.174      0.366     8630.545    0.008 B-    259.722    0.747  44 956186.326      0.392
-   3   24   21   45 Sc       -41071.896      0.675     8618.931    0.015 B-  -2062.056    0.509  44 955907.503      0.724
-   1   23   22   45 Ti       -39009.840      0.845     8555.722    0.019 B-  -7123.824    0.214  44 958121.211      0.907
-  -1   22   23   45 V        -31886.016      0.872     8380.029    0.019 B- -12371.217   35.408  44 965768.951      0.935
-  -3   21   24   45 Cr    x  -19514.799     35.397     8087.728    0.787 B- -14265#     401#     44 979050.000     38.000
-  -5   20   25   45 Mn    x   -5250#       400#        7753#       9#    B- -19012#     565#     44 994364#       429#
-  -7   19   26   45 Fe  -pp   13762#       400#        7313#       9#    B-      *               45 014774#       429#
-0 16   31   15   46 P     x   22970#       700#        7317#      15#    B-  22630#     860#     46 024659#       751#
-  14   30   16   46 S     x     340#       500#        7792#      11#    B-  14199#     542#     46 000365#       537#
-  12   29   17   46 Cl    x  -13859.398    208.661     8083.480    4.536 B-  15913.528  208.664  45 985121.323    224.006
-  10   28   18   46 Ar    x  -29772.926      1.118     8412.419    0.024 B-   5640.997    1.333  45 968037.446      1.200
-   8   27   19   46 K     x  -35413.924      0.727     8518.042    0.016 B-   7725.438    2.350  45 961981.586      0.780
-   6   26   20   46 Ca       -43139.361      2.235     8668.979    0.049 B-  -1378.143    2.333  45 953687.988      2.399
-   4   25   21   46 Sc   -n  -41761.219      0.683     8622.012    0.015 B-   2366.581    0.667  45 955167.485      0.732
-   2   24   22   46 Ti       -44127.799      0.165     8656.451    0.004 B-  -7052.449    0.093  45 952626.856      0.176
-   0   23   23   46 V        -37075.351      0.202     8486.130    0.004 B-  -7603.784   11.455  45 960197.971      0.216
-  -2   22   24   46 Cr       -29471.567     11.453     8303.823    0.249 B- -16902#     400#     45 968360.970     12.295
-  -4   21   25   46 Mn    x  -12570#       400#        7919#       9#    B- -13480#     640#     45 986506#       429#
-  -6   20   26   46 Fe    x     910#       500#        7609#      11#    B-      *               46 000977#       537#
-0 17   32   15   47 P     x   29710#       800#        7190#      17#    B-  22340#     944#     47 031895#       859#
-  15   31   16   47 S     x    7370#       500#        7648#      11#    B-  17150#     640#     47 007912#       537#
-  13   30   17   47 Cl    x   -9780#       400#        7996#       9#    B-  15587#     400#     46 989501#       429#
-  11   29   18   47 Ar    x  -25366.338      1.118     8311.404    0.024 B-  10345.638    1.789  46 972768.114      1.200
-   9   28   19   47 K     x  -35711.976      1.397     8514.879    0.030 B-   6632.442    2.625  46 961661.614      1.500
-   7   27   20   47 Ca       -42344.418      2.222     8639.349    0.047 B-   1992.177    1.185  46 954541.394      2.385
-   5   26   21   47 Sc       -44336.595      1.933     8665.090    0.041 B-    600.769    1.929  46 952402.704      2.074
-   3   25   22   47 Ti       -44937.364      0.115     8661.227    0.002 B-  -2930.746    0.138  46 951757.752      0.123
-   1   24   23   47 V        -42006.618      0.169     8582.225    0.004 B-  -7444.040    6.032  46 954904.038      0.181
-  -1   23   24   47 Cr       -34562.578      6.030     8407.195    0.128 B- -11996.204   32.240  46 962895.544      6.473
-  -3   22   25   47 Mn    x  -22566.374     31.671     8135.311    0.674 B- -15697#     501#     46 975774.000     34.000
-  -5   21   26   47 Fe    x   -6870#       500#        7785#      11#    B- -17240#     781#     46 992625#       537#
-  -7   20   27   47 Co    x   10370#       600#        7401#      13#    B-      *               47 011133#       644#
-0 16   32   16   48 S     x   12761#       596#        7545#      12#    B-  17042#     778#     48 013700#       640#
-  14   31   17   48 Cl    x   -4280#       500#        7883#      10#    B-  18001#     587#     47 995405#       537#
-  12   30   18   48 Ar    x  -22281.337    307.393     8242.132    6.404 B-  10003.140  307.394  47 976080.000    330.000
-  10   29   19   48 K     x  -32284.477      0.773     8434.232    0.016 B-  11940.153    0.779  47 965341.186      0.830
-   8   28   20   48 Ca       -44224.629      0.096     8666.686    0.002 B-    279.213    4.950  47 952522.904      0.103
-   6   27   21   48 Sc       -44503.842      4.951     8656.204    0.103 B-   3988.866    4.950  47 952223.157      5.314
-   4   26   22   48 Ti       -48492.709      0.109     8723.006    0.002 B-  -4015.015    0.969  47 947940.932      0.117
-   2   25   23   48 V        -44477.694      0.975     8623.061    0.020 B-  -1655.673    7.388  47 952251.229      1.046
-   0   24   24   48 Cr  +nn  -42822.020      7.324     8572.269    0.153 B- -13525.682   10.087  47 954028.667      7.862
-  -2   23   25   48 Mn       -29296.338      6.939     8274.185    0.145 B- -11296#     400#     47 968549.085      7.449
-  -4   22   26   48 Fe    x  -18000#       400#        8023#       8#    B- -19500#     640#     47 980676#       429#
-  -6   21   27   48 Co    x    1500#       500#        7600#      10#    B- -15293#     708#     48 001610#       537#
-  -8   20   28   48 Ni  -pp   16793#       502#        7265#      10#    B-      *               48 018028#       538#
-0 17   33   16   49 S    -n   21093#       667#        7385#      14#    B-  20153#     897#     49 022644#       716#
-  15   32   17   49 Cl    x     940#       600#        7781#      12#    B-  18130#     721#     49 001009#       644#
-  13   31   18   49 Ar    x  -17190#       400#        8135#       8#    B-  12422#     400#     48 981546#       429#
-  11   30   19   49 K     x  -29611.490      0.801     8372.274    0.016 B-  11688.275    0.826  48 968210.755      0.860
-   9   29   20   49 Ca   -n  -41299.765      0.201     8594.844    0.004 B-   5261.500    2.702  48 955662.875      0.216
-   7   28   21   49 Sc       -46561.265      2.698     8686.256    0.055 B-   2002.522    2.697  48 950014.423      2.896
-   5   27   22   49 Ti       -48563.787      0.114     8711.157    0.002 B-   -601.856    0.820  48 947864.627      0.122
-   3   26   23   49 V     -  -47961.931      0.828     8682.908    0.017 B-  -2628.871    2.391  48 948510.746      0.889
-   1   25   24   49 Cr       -45333.060      2.243     8613.291    0.046 B-  -7712.426    0.233  48 951332.955      2.407
-  -1   24   25   49 Mn       -37620.634      2.255     8439.929    0.046 B- -12869.907   24.324  48 959612.585      2.420
-  -3   23   26   49 Fe    x  -24750.727     24.219     8161.311    0.494 B- -14870#     501#     48 973429.000     26.000
-  -5   22   27   49 Co    x   -9880#       500#        7842#      10#    B- -18080#     781#     48 989393#       537#
-  -7   21   28   49 Ni    x    8200#       600#        7457#      12#    B-      *               49 008803#       644#
-0 16   33   17   50 Cl    x    7740#       600#        7651#      12#    B-  21069#     781#     50 008309#       644#
-  14   32   18   50 Ar    x  -13330#       500#        8056#      10#    B-  12398#     500#     49 985690#       537#
-  12   31   19   50 K     x  -25727.848      7.731     8288.582    0.155 B-  13861.376    7.892  49 972380.017      8.300
-  10   30   20   50 Ca    x  -39589.224      1.584     8550.163    0.032 B-   4958.158   15.084  49 957499.217      1.700
-   8   29   21   50 Sc  -pn  -44547.382     15.000     8633.679    0.300 B-   6884.278   15.000  49 952176.415     16.103
-   6   28   22   50 Ti       -51431.660      0.121     8755.718    0.002 B-  -2207.647    0.426  49 944785.839      0.129
-   4   27   23   50 V    +n  -49224.013      0.409     8695.918    0.008 B-   1038.059    0.299  49 947155.845      0.438
-   2   26   24   50 Cr       -50262.072      0.437     8701.032    0.009 B-  -7634.477    0.067  49 946041.443      0.468
-   0   25   25   50 Mn       -42627.595      0.442     8532.696    0.009 B-  -8151.139    8.395  49 954237.391      0.474
-  -2   24   26   50 Fe    x  -34476.456      8.383     8354.026    0.168 B- -16846#     400#     49 962988.000      9.000
-  -4   23   27   50 Co    x  -17630#       400#        8001#       8#    B- -13510#     640#     49 981073#       429#
-  -6   22   28   50 Ni    x   -4120#       500#        7716#      10#    B-      *               49 995577#       537#
-0 17   34   17   51 Cl    x   14290#       700#        7530#      14#    B-  20980#     922#     51 015341#       751#
-  15   33   18   51 Ar    x   -6690#       600#        7926#      12#    B-  15826#     600#     50 992818#       644#
-  13   32   19   51 K     x  -22516.196     13.047     8221.349    0.256 B-  13816.107   13.057  50 975827.867     14.006
-  11   31   20   51 Ca    x  -36332.304      0.522     8476.913    0.010 B-   6896.381   20.007  50 960995.665      0.560
-   9   30   21   51 Sc -p2n  -43228.684     20.000     8596.796    0.392 B-   6504.153   20.006  50 953592.095     21.471
-   7   29   22   51 Ti   -n  -49732.837      0.505     8708.988    0.010 B-   2471.005    0.644  50 946609.600      0.541
-   5   28   23   51 V        -52203.842      0.401     8742.099    0.008 B-   -752.447    0.213  50 943956.867      0.430
-   3   27   24   51 Cr       -51451.395      0.400     8712.005    0.008 B-  -3207.518    0.346  50 944764.652      0.429
-   1   26   25   51 Mn       -48243.877      0.502     8633.772    0.010 B-  -8041.321    8.977  50 948208.065      0.539
-  -1   25   26   51 Fe       -40202.555      8.964     8460.759    0.176 B- -12860.412   49.260  50 956840.779      9.623
-  -3   24   27   51 Co    x  -27342.143     48.438     8193.254    0.950 B- -15442#     503#     50 970647.000     52.000
-  -5   23   28   51 Ni    x  -11900#       500#        7875#      10#    B-      *               50 987225#       537#
-0 16   34   18   52 Ar    x   -1280#       600#        7825#      12#    B-  15858#     601#     51 998626#       644#
-  14   33   19   52 K     x  -17137.627     33.534     8115.029    0.645 B-  17128.639   33.540  51 981602.000     36.000
-  12   32   20   52 Ca    x  -34266.266      0.671     8429.381    0.013 B-   6177.013   81.855  51 963213.648      0.720
-  10   31   21   52 Sc    x  -40443.279     81.852     8533.125    1.574 B-   9026.541   82.157  51 956582.351     87.871
-   8   30   22   52 Ti  -nn  -49469.820      7.072     8691.667    0.136 B-   1973.948    7.085  51 946891.960      7.592
-   6   29   23   52 V    -n  -51443.769      0.420     8714.582    0.008 B-   3975.473    0.531  51 944772.839      0.450
-   4   28   24   52 Cr       -55419.242      0.340     8775.989    0.007 B-  -4711.958    1.851  51 940504.992      0.364
-   2   27   25   52 Mn       -50707.284      1.845     8670.329    0.035 B-  -2376.920    5.017  51 945563.488      1.980
-   0   26   26   52 Fe       -48330.363      5.117     8609.574    0.098 B- -13969.413    9.822  51 948115.217      5.493
-  -2   25   27   52 Co    x  -34360.951      8.383     8325.886    0.161 B- -12031#     400#     51 963112.000      9.000
-  -4   24   28   52 Ni    x  -22330#       400#        8079#       8#    B- -20049#     721#     51 976028#       429#
-  -6   23   29   52 Cu    x   -2280#       600#        7679#      12#    B-      *               51 997552#       644#
-0 17   35   18   53 Ar    x    6791#       699#        7677#      13#    B-  19086#     708#     53 007290#       750#
-  15   34   19   53 K     x  -12295.721    111.779     8022.848    2.109 B-  17091.983  120.047  52 986800.000    120.000
-  13   33   20   53 Ca    x  -29387.704     43.780     8330.577    0.826 B-   9519.104  103.774  52 968451.000     47.000
-  11   32   21   53 Sc    x  -38906.808     94.087     8495.421    1.775 B-   7924.253  137.339  52 958231.821    101.006
-   9   31   22   53 Ti    +  -46831.061    100.049     8630.174    1.888 B-   5020.000  100.000  52 949724.785    107.406
-   7   30   23   53 V    +p  -51851.061      3.120     8710.130    0.059 B-   3435.938    3.102  52 944335.593      3.349
-   5   29   24   53 Cr       -55286.999      0.348     8760.198    0.007 B-   -596.884    0.356  52 940646.961      0.373
-   3   28   25   53 Mn       -54690.116      0.450     8734.175    0.009 B-  -3742.586    1.686  52 941287.742      0.483
-   1   27   26   53 Fe       -50947.530      1.656     8648.799    0.031 B-  -8288.101    0.443  52 945305.574      1.777
-  -1   26   27   53 Co       -42659.428      1.713     8477.658    0.032 B- -13028.604   25.209  52 954203.217      1.839
-  -3   25   28   53 Ni    x  -29630.824     25.150     8217.074    0.475 B- -16361#     501#     52 968190.000     27.000
-  -5   24   29   53 Cu    x  -13270#       500#        7894#       9#    B-      *               52 985754#       537#
-0 16   35   19   54 K     x   -5002#       596#        7889#      11#    B-  20158#     598#     53 994630#       640#
-  14   34   20   54 Ca    x  -25160.585     48.438     8247.496    0.897 B-   8730.315  277.066  53 972989.000     52.000
-  12   33   21   54 Sc    x  -33890.900    272.800     8394.681    5.052 B-  11731.081  284.990  53 963616.620    292.862
-  10   32   22   54 Ti    x  -45621.981     82.461     8597.435    1.527 B-   4271.192   83.815  53 951022.786     88.526
-   8   31   23   54 V     +  -49893.173     15.004     8662.043    0.278 B-   7041.592   15.000  53 946437.472     16.107
-   6   30   24   54 Cr       -56934.765      0.353     8777.955    0.007 B-  -1377.136    1.008  53 938878.012      0.378
-   4   29   25   54 Mn   -p  -55557.629      1.059     8737.965    0.020 B-    696.872    1.076  53 940356.429      1.136
-   2   28   26   54 Fe       -56254.500      0.372     8736.382    0.007 B-  -8244.547    0.089  53 939608.306      0.399
-   0   27   27   54 Co       -48009.953      0.383     8569.217    0.007 B-  -8731.646    4.673  53 948459.192      0.411
-  -2   26   28   54 Ni    x  -39278.308      4.657     8393.032    0.086 B- -17868#     400#     53 957833.000      5.000
-  -4   25   29   54 Cu    x  -21410#       400#        8048#       7#    B- -15139#     565#     53 977015#       429#
-  -6   24   30   54 Zn  -pp   -6272#       400#        7753#       7#    B-      *               53 993267#       430#
-0 17   36   19   55 K     x     708#       699#        7788#      13#    B-  19058#     760#     55 000760#       750#
-  15   35   20   55 Ca    x  -18350#       300#        8120#       5#    B-  11809#     544#     54 980300#       322#
-  13   34   21   55 Sc    x  -30159.352    454.342     8320.955    8.261 B-  11508.735  482.226  54 967622.601    487.756
-  11   33   22   55 Ti       -41668.088    161.602     8515.980    2.938 B-   7476.498  157.206  54 955267.465    173.486
-   9   32   23   55 V        -49144.586     95.104     8637.692    1.729 B-   5965.125   95.103  54 947241.114    102.098
-   7   31   24   55 Cr       -55109.710      0.399     8731.924    0.007 B-   2602.703    0.368  54 940837.289      0.428
-   5   30   25   55 Mn       -57712.413      0.303     8765.022    0.006 B-   -231.114    0.179  54 938043.172      0.325
-   3   29   26   55 Fe       -57481.300      0.342     8746.595    0.006 B-  -3451.417    0.324  54 938291.283      0.367
-   1   28   27   55 Co       -54029.883      0.428     8669.618    0.008 B-  -8694.034    0.578  54 941996.531      0.459
-  -1   27   28   55 Ni    -  -45335.849      0.719     8497.320    0.013 B- -13700.449  155.561  54 951329.961      0.771
-  -3   26   29   55 Cu    x  -31635.399    155.559     8233.996    2.828 B- -17065#     429#     54 966038.000    167.000
-  -5   25   30   55 Zn    x  -14570#       400#        7909#       7#    B-      *               54 984358#       429#
-0 18   37   19   56 K     x    7927#       801#        7664#      14#    B-  21825#     895#     56 008510#       860#
-  16   36   20   56 Ca    x  -13898#       400#        8040#       7#    B-  10954#     710#     55 985080#       429#
-  14   35   21   56 Sc    x  -24852.260    586.841     8221.728   10.479 B-  14467.788  599.236  55 973320.000    630.000
-  12   34   22   56 Ti       -39320.048    121.247     8466.110    2.165 B-   6834.833  194.550  55 957788.190    130.164
-  10   33   23   56 V        -46154.881    176.898     8574.191    3.159 B-   9130.120  176.899  55 950450.694    189.907
-   8   32   24   56 Cr   ++  -55285.001      0.603     8723.258    0.011 B-   1626.538    0.561  55 940649.107      0.647
-   6   31   25   56 Mn   -n  -56911.538      0.331     8738.333    0.006 B-   3695.544    0.207  55 938902.947      0.355
-   4   30   26   56 Fe       -60607.082      0.302     8790.354    0.005 B-  -4566.680    0.411  55 934935.617      0.324
-   2   29   27   56 Co       -56040.402      0.493     8694.836    0.009 B-  -2132.863    0.374  55 939838.150      0.529
-   0   28   28   56 Ni       -53907.539      0.422     8642.779    0.008 B- -15264.511   14.910  55 942127.872      0.452
-  -2   27   29   56 Cu    x  -38643.029     14.904     8356.227    0.266 B- -13253#     400#     55 958515.000     16.000
-  -4   26   30   56 Zn    x  -25390#       400#        8106#       7#    B- -22000#     640#     55 972743#       429#
-  -6   25   31   56 Ga    x   -3390#       500#        7699#       9#    B-      *               55 996361#       537#
-0 17   37   20   57 Ca    x   -6874#       400#        7917#       7#    B-  14121#    1364#     56 992620#       429#
-  15   36   21   57 Sc    x  -20995.875   1304.092     8151.433   22.879 B-  12919.758 1329.062  56 977460.000   1400.000
-  13   35   22   57 Ti    x  -33915.633    256.417     8364.370    4.499 B-  10497.818  268.750  56 963590.068    275.274
-  11   34   23   57 V     x  -44413.450     80.479     8534.817    1.412 B-   8111.252   80.486  56 952320.197     86.397
-   9   33   24   57 Cr    x  -52524.702      1.068     8663.394    0.019 B-   4961.548    1.846  56 943612.409      1.146
-   7   32   25   57 Mn       -57486.251      1.505     8736.713    0.026 B-   2695.589    1.526  56 938285.968      1.615
-   5   31   26   57 Fe       -60181.839      0.304     8770.279    0.005 B-   -836.276    0.451  56 935392.134      0.326
-   3   30   27   57 Co       -59345.564      0.533     8741.882    0.009 B-  -3261.731    0.642  56 936289.913      0.572
-   1   29   28   57 Ni       -56083.833      0.582     8670.933    0.010 B-  -8774.947    0.439  56 939791.525      0.624
-  -1   28   29   57 Cu       -47308.886      0.519     8503.262    0.009 B- -14759#     200#     56 949211.819      0.557
-  -3   27   30   57 Zn    x  -32550#       200#        8231#       4#    B- -17540#     447#     56 965056#       215#
-  -5   26   31   57 Ga    x  -15010#       400#        7909#       7#    B-      *               56 983886#       429#
-0 18   38   20   58 Ca    x   -1919#       500#        7835#       9#    B-  12957#     640#     57 997940#       537#
-  16   37   21   58 Sc    x  -14876#       400#        8045#       7#    B-  16234#     447#     57 984030#       429#
-  14   36   22   58 Ti    x  -31110#       200#        8311#       3#    B-   9292#     219#     57 966602#       215#
-  12   35   23   58 V     x  -40401.753     89.374     8457.658    1.541 B-  11590.049   89.386  57 956626.932     95.947
-  10   34   24   58 Cr    x  -51991.801      1.490     8643.998    0.026 B-   3835.759    3.085  57 944184.502      1.600
-   8   33   25   58 Mn    x  -55827.560      2.701     8696.643    0.047 B-   6327.553    2.723  57 940066.646      2.900
-   6   32   26   58 Fe       -62155.113      0.343     8792.250    0.006 B-  -2307.955    1.139  57 933273.738      0.368
-   4   31   27   58 Co       -59847.158      1.160     8738.969    0.020 B-    381.586    1.107  57 935751.429      1.245
-   2   30   28   58 Ni       -60228.744      0.373     8732.059    0.006 B-  -8561.019    0.443  57 935341.780      0.400
-   0   29   29   58 Cu       -51667.725      0.578     8570.967    0.010 B-  -9368.981   50.002  57 944532.413      0.621
-  -2   28   30   58 Zn   --  -42298.744     50.001     8395.944    0.862 B- -18759#     304#     57 954590.428     53.678
-  -4   27   31   58 Ga    x  -23540#       300#        8059#       5#    B- -16459#     583#     57 974729#       322#
-  -6   26   32   58 Ge    x   -7080#       500#        7762#       9#    B-      *               57 992399#       537#
-0 17   38   21   59 Sc    x  -10302#       400#        7967#       7#    B-  15208#     447#     58 988940#       429#
-  15   37   22   59 Ti    x  -25510#       200#        8212#       3#    B-  12322#     258#     58 972614#       215#
-  13   36   23   59 V     x  -37832.015    161.874     8407.555    2.744 B-  10253.745  270.218  58 959385.659    173.778
-  11   35   24   59 Cr    x  -48085.760    216.367     8568.087    3.667 B-   7439.560  216.380  58 948377.810    232.279
-   9   34   25   59 Mn    x  -55525.320      2.329     8680.921    0.039 B-   5139.485    2.356  58 940391.113      2.500
-   7   33   26   59 Fe       -60664.805      0.355     8754.771    0.006 B-   1564.903    0.369  58 934873.649      0.380
-   5   32   27   59 Co       -62229.709      0.418     8768.035    0.007 B-  -1073.002    0.194  58 933193.656      0.448
-   3   31   28   59 Ni       -61156.707      0.374     8736.588    0.006 B-  -4798.380    0.397  58 934345.571      0.402
-   1   30   29   59 Cu       -56358.327      0.544     8642.000    0.009 B-  -9142.775    0.602  58 939496.844      0.584
-  -1   29   30   59 Zn       -47215.551      0.771     8473.777    0.013 B- -13455#     170#     58 949312.017      0.827
-  -3   28   31   59 Ga    x  -33760#       170#        8232#       3#    B- -17890#     434#     58 963757#       183#
-  -5   27   32   59 Ge    x  -15870#       400#        7916#       7#    B-      *               58 982963#       429#
-0 18   39   21   60 Sc    x   -4052#       500#        7865#       8#    B-  18278#     583#     59 995650#       537#
-  16   38   22   60 Ti    x  -22330#       300#        8157#       5#    B-  10912#     372#     59 976028#       322#
-  14   37   23   60 V     x  -33241.956    220.159     8325.450    3.669 B-  13427.621  293.169  59 964313.290    236.350
-  12   36   24   60 Cr    x  -46669.576    193.593     8536.205    3.227 B-   6298.361  193.607  59 949898.146    207.830
-  10   35   25   60 Mn    x  -52967.938      2.329     8628.138    0.039 B-   8445.079    4.128  59 943136.576      2.500
-   8   34   26   60 Fe  -nn  -61413.017      3.409     8755.851    0.057 B-    237.293    3.411  59 934070.411      3.659
-   6   33   27   60 Co   -n  -61650.309      0.424     8746.766    0.007 B-   2822.809    0.212  59 933815.667      0.455
-   4   32   28   60 Ni       -64473.118      0.376     8780.774    0.006 B-  -6127.982    1.573  59 930785.256      0.403
-   2   31   29   60 Cu    -  -58345.137      1.618     8665.602    0.027 B-  -4170.797    1.629  59 937363.916      1.736
-   0   30   30   60 Zn       -54174.340      0.564     8583.050    0.009 B- -14584#     200#     59 941841.450      0.605
-  -2   29   31   60 Ga    x  -39590#       200#        8327#       3#    B- -12501#     361#     59 957498#       215#
-  -4   28   32   60 Ge    x  -27090#       300#        8106#       5#    B- -21620#     500#     59 970918#       322#
-  -6   27   33   60 As    x   -5470#       400#        7732#       7#    B-      *               59 994128#       429#
-0 19   40   21   61 Sc    x     931#       600#        7787#      10#    B-  17281#     721#     61 001000#       644#
-  17   39   22   61 Ti    x  -16350#       400#        8057#       7#    B-  14157#     979#     60 982448#       429#
-  15   38   23   61 V     x  -30506.429    894.234     8276.439   14.660 B-  11968.800  899.958  60 967250.000    960.000
-  13   37   24   61 Cr    x  -42475.229    101.341     8459.824    1.661 B-   9266.893  101.367  60 954400.963    108.793
-  11   36   25   61 Mn    x  -51742.122      2.329     8598.915    0.038 B-   7178.372    3.497  60 944452.544      2.500
-   9   35   26   61 Fe    x  -58920.494      2.608     8703.768    0.043 B-   3977.572    2.742  60 936746.244      2.800
-   7   34   27   61 Co  p2n  -62898.066      0.846     8756.148    0.014 B-   1323.839    0.790  60 932476.145      0.908
-   5   33   28   61 Ni       -64221.905      0.378     8765.025    0.006 B-  -2237.845    0.966  60 931054.945      0.405
-   3   32   29   61 Cu  p2n  -61984.059      0.953     8715.514    0.016 B-  -5635.156   15.903  60 933457.371      1.023
-   1   31   30   61 Zn       -56348.903     15.899     8610.309    0.261 B-  -9214.245   37.679  60 939506.960     17.068
-  -1   30   31   61 Ga       -47134.659     37.994     8446.431    0.623 B- -13775#     302#     60 949398.859     40.787
-  -3   29   32   61 Ge    x  -33360#       300#        8208#       5#    B- -16459#     424#     60 964187#       322#
-  -5   28   33   61 As    x  -16900#       300#        7925#       5#    B-      *               60 981857#       322#
-0 18   40   22   62 Ti    x  -12500#       400#        7995#       6#    B-  12977#     499#     61 986581#       429#
-  16   39   23   62 V     x  -25476#       298#        8192#       5#    B-  15419#     333#     61 972650#       320#
-  14   38   24   62 Cr    x  -40894.961    148.099     8428.069    2.389 B-   7628.996  148.244  61 956097.451    158.991
-  12   37   25   62 Mn   IT  -48523.957      6.542     8538.499    0.106 B-  10354.091    7.114  61 947907.386      7.023
-  10   36   26   62 Fe    x  -58878.048      2.794     8692.882    0.045 B-   2546.235   18.784  61 936791.812      3.000
-   8   35   27   62 Co    +  -61424.282     18.575     8721.332    0.300 B-   5322.040   18.570  61 934058.317     19.940
-   6   34   28   62 Ni       -66746.323      0.439     8794.553    0.007 B-  -3958.896    0.475  61 928344.871      0.470
-   4   33   29   62 Cu    -  -62787.426      0.647     8718.081    0.010 B-  -1619.455    0.651  61 932594.921      0.694
-   2   32   30   62 Zn       -61167.972      0.625     8679.343    0.010 B-  -9181.066    0.376  61 934333.477      0.670
-   0   31   31   62 Ga       -51986.906      0.647     8518.642    0.010 B- -10247#     140#     61 944189.757      0.694
-  -2   30   32   62 Ge    x  -41740#       140#        8341#       2#    B- -17420#     331#     61 955190#       150#
-  -4   29   33   62 As    x  -24320#       300#        8047#       5#    B-      *               61 973891#       322#
-0 19   41   22   63 Ti    x   -5750#       500#        7889#       8#    B-  16140#     640#     62 993827#       537#
-  17   40   23   63 V     x  -21890#       400#        8133#       6#    B-  14117#     537#     62 976500#       429#
-  15   39   24   63 Cr    x  -36007.474    358.073     8344.828    5.684 B-  10879.579  358.092  62 961344.384    384.407
-  13   38   25   63 Mn    x  -46887.053      3.726     8505.101    0.059 B-   8748.568    5.692  62 949664.675      4.000
-  11   37   26   63 Fe       -55635.621      4.302     8631.549    0.068 B-   6215.819   19.067  62 940272.700      4.618
-   9   36   27   63 Co       -61851.440     18.575     8717.795    0.295 B-   3661.335   18.570  62 933599.744     19.941
-   7   35   28   63 Ni       -65512.775      0.440     8763.493    0.007 B-     66.977    0.015  62 929669.139      0.472
-   5   34   29   63 Cu       -65579.752      0.440     8752.138    0.007 B-  -3366.355    1.546  62 929597.236      0.472
-   3   33   30   63 Zn       -62213.397      1.561     8686.285    0.025 B-  -5666.304    2.034  62 933211.167      1.676
-   1   32   31   63 Ga    x  -56547.093      1.304     8583.926    0.021 B-  -9625.877   37.283  62 939294.195      1.400
-  -1   31   32   63 Ge    x  -46921.216     37.260     8418.716    0.591 B- -13421#     204#     62 949628.000     40.000
-  -3   30   33   63 As    x  -33500#       200#        8193#       3#    B-      *               62 964036#       215#
-0 20   42   22   64 Ti    x   -1025#       600#        7818#       9#    B-  15295#     721#     63 998900#       644#
-  18   41   23   64 V     x  -16320#       400#        8045#       6#    B-  17160#     594#     63 982480#       429#
-  16   40   24   64 Cr    x  -33479.757    439.665     8301.058    6.870 B-   9509.277  439.679  63 964058.000    472.000
-  14   39   25   64 Mn    x  -42989.035      3.540     8437.417    0.055 B-  11980.510    6.140  63 953849.370      3.800
-  12   38   26   64 Fe    x  -54969.544      5.017     8612.388    0.078 B-   4822.785   20.625  63 940987.763      5.386
-  10   37   27   64 Co    +  -59792.329     20.006     8675.520    0.313 B-   7306.592   20.000  63 935810.291     21.476
-   8   36   28   64 Ni       -67098.921      0.475     8777.461    0.007 B-  -1674.376    0.225  63 927966.341      0.510
-   6   35   29   64 Cu       -65424.545      0.448     8739.075    0.007 B-    579.469    0.650  63 929763.857      0.481
-   4   34   30   64 Zn       -66004.014      0.647     8735.905    0.010 B-  -7171.194    1.483  63 929141.772      0.694
-   2   33   31   64 Ga       -58832.821      1.429     8611.631    0.022 B-  -4517.325    3.991  63 936840.365      1.533
-   0   32   32   64 Ge    x  -54315.496      3.726     8528.823    0.058 B- -14783#     203#     63 941689.913      4.000
-  -2   31   33   64 As   -p  -39532#       203#        8286#       3#    B- -12832#     543#     63 957560#       218#
-  -4   30   34   64 Se    x  -26700#       503#        8073#       8#    B-      *               63 971336#       540#
-0 19   42   23   65 V     x  -11780#       500#        7976#       8#    B-  16440#     583#     64 987354#       537#
-  17   41   24   65 Cr    x  -28220#       300#        8217#       5#    B-  12748#     300#     64 969705#       322#
-  15   40   25   65 Mn    x  -40967.339      3.726     8400.681    0.057 B-  10250.557    6.326  64 956019.750      4.000
-  13   39   26   65 Fe    x  -51217.895      5.112     8546.346    0.079 B-   7967.303    5.520  64 945015.324      5.487
-  11   38   27   65 Co    x  -59185.198      2.083     8656.884    0.032 B-   5940.487    2.141  64 936462.073      2.235
-   9   37   28   65 Ni   -n  -65125.685      0.495     8736.240    0.008 B-   2137.975    0.706  64 930084.697      0.531
-   7   36   29   65 Cu       -67263.660      0.650     8757.096    0.010 B-  -1351.640    0.360  64 927789.487      0.697
-   5   35   30   65 Zn       -65912.019      0.650     8724.265    0.010 B-  -3254.513    0.662  64 929240.532      0.697
-   3   34   31   65 Ga       -62657.507      0.815     8662.160    0.013 B-  -6179.291    2.313  64 932734.395      0.874
-   1   33   32   65 Ge       -56478.216      2.165     8555.058    0.033 B-  -9541.165   84.794  64 939368.137      2.323
-  -1   32   33   65 As    x  -46937.051     84.766     8396.234    1.304 B- -13917#     312#     64 949611.000     91.000
-  -3   31   34   65 Se    x  -33020#       300#        8170#       5#    B-      *               64 964552#       322#
-0 20   43   23   66 V     x   -5610#       500#        7884#       8#    B-  19110#     640#     65 993977#       537#
-  18   42   24   66 Cr    x  -24720#       400#        8161#       6#    B-  12030#     400#     65 973462#       429#
-  16   41   25   66 Mn    x  -36750.387     11.178     8331.798    0.169 B-  13317.452   11.906  65 960546.834     12.000
-  14   40   26   66 Fe    x  -50067.839      4.099     8521.724    0.062 B-   6340.694   14.561  65 946249.960      4.400
-  12   39   27   66 Co    x  -56408.533     13.972     8605.941    0.212 B-   9597.752   14.042  65 939442.945     15.000
-  10   38   28   66 Ni    x  -66006.285      1.397     8739.508    0.021 B-    251.987    1.543  65 929139.334      1.500
-   8   37   29   66 Cu       -66258.272      0.655     8731.472    0.010 B-   2640.888    0.931  65 928868.814      0.703
-   6   36   30   66 Zn       -68899.160      0.749     8759.632    0.011 B-  -5175.500    0.800  65 926033.704      0.804
-   4   35   31   66 Ga    -  -63723.660      1.096     8669.361    0.017 B-  -2116.628    2.639  65 931589.832      1.176
-   2   34   32   66 Ge    x  -61607.032      2.401     8625.437    0.036 B-  -9581.955    6.168  65 933862.126      2.577
-   0   33   33   66 As    x  -52025.077      5.682     8468.403    0.086 B- -10365#     200#     65 944148.779      6.100
-  -2   32   34   66 Se    x  -41660#       200#        8300#       3#    B-      *               65 955276#       215#
-0 21   44   23   67 V     x    -650#       600#        7812#       9#    B-  18030#     721#     66 999302#       644#
-  19   43   24   67 Cr    x  -18680#       400#        8070#       6#    B-  14780#     500#     66 979946#       429#
-  17   42   25   67 Mn    x  -33460#       300#        8279#       4#    B-  12150#     404#     66 964079#       322#
-  15   41   26   67 Fe    x  -45610.155    270.285     8448.469    4.034 B-   9711.620  270.362  66 951035.482    290.163
-  13   40   27   67 Co    x  -55321.775      6.443     8581.741    0.096 B-   8420.905    7.061  66 940609.628      6.917
-  11   39   28   67 Ni    x  -63742.680      2.888     8695.750    0.043 B-   3576.832    3.023  66 931569.414      3.100
-   9   38   29   67 Cu       -67319.513      0.894     8737.458    0.013 B-    560.800    0.830  66 927729.526      0.959
-   7   37   30   67 Zn       -67880.313      0.760     8734.152    0.011 B-  -1001.265    1.122  66 927127.482      0.815
-   5   36   31   67 Ga       -66879.048      1.181     8707.531    0.018 B-  -4220.819    4.799  66 928202.384      1.268
-   3   35   32   67 Ge -n2p  -62658.230      4.661     8632.857    0.070 B-  -6071.005    4.682  66 932733.620      5.003
-   1   34   33   67 As       -56587.225      0.443     8530.568    0.007 B- -10006.936   67.069  66 939251.111      0.475
-  -1   33   34   67 Se    x  -46580.289     67.068     8369.534    1.001 B- -13790#     405#     66 949994.000     72.000
-  -3   32   35   67 Br    x  -32790#       400#        8152#       6#    B-      *               66 964798#       429#
-0 20   44   24   68 Cr    x  -14800#       500#        8013#       7#    B-  13580#     640#     67 984112#       537#
-  18   43   25   68 Mn    x  -28380#       400#        8201#       6#    B-  15107#     541#     67 969533#       429#
-  16   42   26   68 Fe    x  -43486.914    365.259     8411.698    5.371 B-   8443.751  411.489  67 953314.875    392.121
-  14   41   27   68 Co    x  -51930.665    189.497     8524.366    2.787 B-  11533.150  189.520  67 944250.135    203.433
-  12   40   28   68 Ni    x  -63463.814      2.981     8682.466    0.044 B-   2103.220    3.375  67 931868.789      3.200
-  10   39   29   68 Cu    x  -65567.035      1.584     8701.890    0.023 B-   4440.057    1.767  67 929610.889      1.700
-   8   38   30   68 Zn       -70007.092      0.784     8755.680    0.012 B-  -2921.100    1.200  67 924844.291      0.841
-   6   37   31   68 Ga    -  -67085.992      1.433     8701.218    0.021 B-   -107.203    2.361  67 927980.221      1.538
-   4   36   32   68 Ge    x  -66978.789      1.876     8688.136    0.028 B-  -8084.270    2.632  67 928095.308      2.014
-   2   35   33   68 As       -58894.519      1.846     8557.745    0.027 B-  -4705.078    1.911  67 936774.130      1.981
-   0   34   34   68 Se    x  -54189.441      0.496     8477.047    0.007 B- -15398#     259#     67 941825.239      0.532
-  -2   33   35   68 Br   -p  -38791#       259#        8239#       4#    B-      *               67 958356#       278#
-0 21   45   24   69 Cr    x   -8580#       500#        7924#       7#    B-  16190#     640#     68 990789#       537#
-  19   44   25   69 Mn    x  -24770#       400#        8147#       6#    B-  14259#     565#     68 973408#       429#
-  17   43   26   69 Fe    x  -39030#       400#        8342#       6#    B-  11250#     424#     68 958100#       429#
-  15   42   27   69 Co    x  -50279.157    140.506     8493.865    2.036 B-   9699.492  140.556  68 946023.102    150.839
-  13   41   28   69 Ni    x  -59978.648      3.726     8623.099    0.054 B-   5757.564    3.979  68 935610.268      4.000
-  11   40   29   69 Cu    x  -65736.213      1.397     8695.204    0.020 B-   2681.632    1.610  68 929429.268      1.500
-   9   39   30   69 Zn   -n  -68417.845      0.800     8722.729    0.012 B-    909.964    1.426  68 926550.418      0.858
-   7   38   31   69 Ga       -69327.809      1.197     8724.579    0.017 B-  -2227.146    0.550  68 925573.531      1.285
-   5   37   32   69 Ge       -67100.663      1.318     8680.963    0.019 B-  -3988.492   31.982  68 927964.471      1.414
-   3   36   33   69 As       -63112.171     31.999     8611.821    0.464 B-  -6677.465   32.021  68 932246.294     34.352
-   1   35   34   69 Se       -56434.706      1.490     8503.707    0.022 B- -10175.236   42.029  68 939414.847      1.599
-  -1   34   35   69 Br   -p  -46259.470     42.003     8344.902    0.609 B- -13825#     403#     68 950338.413     45.092
-  -3   33   36   69 Kr    x  -32435#       401#        8133#       6#    B-      *               68 965180#       430#
-0 22   46   24   70 Cr    x   -4480#       600#        7867#       9#    B-  15020#     781#     69 995191#       644#
-  20   45   25   70 Mn    x  -19500#       500#        8070#       7#    B-  17010#     640#     69 979066#       537#
-  18   44   26   70 Fe    x  -36510#       400#        8302#       6#    B-  10120#     500#     69 960805#       429#
-  16   43   27   70 Co    x  -46630#       300#        8436#       4#    B-  12584#     300#     69 949941#       322#
-  14   42   28   70 Ni    x  -59213.860      2.144     8604.291    0.031 B-   3762.513    2.401  69 936431.303      2.301
-  12   41   29   70 Cu    x  -62976.373      1.082     8646.865    0.015 B-   6588.362    2.202  69 932392.079      1.161
-  10   40   30   70 Zn       -69564.735      1.918     8729.808    0.027 B-   -654.595    1.574  69 925319.181      2.058
-   8   39   31   70 Ga       -68910.140      1.201     8709.280    0.017 B-   1651.736    1.462  69 926021.917      1.289
-   6   38   32   70 Ge       -70561.876      0.838     8721.700    0.012 B-  -6220.000   50.000  69 924248.706      0.900
-   4   37   33   70 As    -  -64341.876     50.007     8621.666    0.714 B-  -2411.985   50.032  69 930926.151     53.684
-   2   36   34   70 Se    x  -61929.891      1.584     8576.033    0.023 B- -10504.272   14.988  69 933515.523      1.700
-   0   35   35   70 Br    x  -51425.619     14.904     8414.796    0.213 B- -10325#     201#     69 944792.323     16.000
-  -2   34   36   70 Kr    x  -41100#       200#        8256#       3#    B-      *               69 955877#       215#
-0 21   46   25   71 Mn    x  -15570#       500#        8015#       7#    B-  15860#     640#     70 983285#       537#
-  19   45   26   71 Fe    x  -31430#       400#        8227#       6#    B-  12940#     613#     70 966259#       429#
-  17   44   27   71 Co    x  -44369.926    465.030     8398.734    6.550 B-  11036.302  465.035  70 952366.923    499.230
-  15   43   28   71 Ni    x  -55406.228      2.237     8543.156    0.032 B-   7304.899    2.688  70 940518.964      2.401
-  13   42   29   71 Cu    x  -62711.127      1.490     8635.022    0.021 B-   4617.651    3.044  70 932676.832      1.600
-  11   41   30   71 Zn       -67328.777      2.654     8689.041    0.037 B-   2810.358    2.775  70 927719.580      2.849
-   9   40   31   71 Ga       -70139.135      0.812     8717.604    0.011 B-   -232.638    0.223  70 924702.536      0.871
-   7   39   32   71 Ge       -69906.497      0.834     8703.309    0.012 B-  -2013.400    4.082  70 924952.284      0.894
-   5   38   33   71 As    -  -67893.097      4.167     8663.932    0.059 B-  -4746.590    5.017  70 927113.758      4.473
-   3   37   34   71 Se    x  -63146.507      2.794     8586.060    0.039 B-  -6644.089    6.082  70 932209.432      3.000
-   1   36   35   71 Br       -56502.418      5.402     8481.462    0.076 B- -10175.212  128.845  70 939342.156      5.799
-  -1   35   36   71 Kr       -46327.205    128.769     8327.130    1.814 B- -14267#     420#     70 950265.696    138.238
-  -3   34   37   71 Rb    x  -32060#       400#        8115#       6#    B-      *               70 965582#       429#
-0 22   47   25   72 Mn    x   -9900#       600#        7937#       8#    B-  18530#     781#     71 989372#       644#
-  20   46   26   72 Fe    x  -28430#       500#        8184#       7#    B-  11769#     640#     71 969479#       537#
-  18   45   27   72 Co    x  -40200#       400#        8336#       6#    B-  14027#     400#     71 956844#       429#
-  16   44   28   72 Ni    x  -54226.060      2.237     8520.211    0.031 B-   5556.938    2.637  71 941785.926      2.401
-  14   43   29   72 Cu    x  -59782.999      1.397     8586.525    0.019 B-   8362.487    2.558  71 935820.307      1.500
-  12   42   30   72 Zn    x  -68145.486      2.142     8691.805    0.030 B-    442.807    2.294  71 926842.807      2.300
-  10   41   31   72 Ga       -68588.293      0.819     8687.089    0.011 B-   3997.607    0.822  71 926367.434      0.878
-   8   40   32   72 Ge       -72585.900      0.076     8731.745    0.001 B-  -4356.102    4.082  71 922075.826      0.081
-   6   39   33   72 As    -  -68229.798      4.083     8660.378    0.057 B-   -361.618    4.528  71 926752.295      4.383
-   4   38   34   72 Se    x  -67868.180      1.956     8644.489    0.027 B-  -8806.437    2.208  71 927140.507      2.100
-   2   37   35   72 Br    x  -59061.743      1.025     8511.312    0.014 B-  -5121.168    8.076  71 936594.607      1.100
-   0   36   36   72 Kr    x  -53940.575      8.011     8429.319    0.111 B- -15611#     500#     71 942092.407      8.600
-  -2   35   37   72 Rb    x  -38330#       500#        8202#       7#    B-      *               71 958851#       537#
-0 21   47   26   73 Fe    x  -22900#       500#        8106#       7#    B-  14518#     640#     72 975416#       537#
-  19   46   27   73 Co    x  -37418#       400#        8295#       5#    B-  12690#     400#     72 959830#       429#
-  17   45   28   73 Ni    x  -50108.152      2.423     8457.652    0.033 B-   8879.285    3.104  72 946206.683      2.601
-  15   44   29   73 Cu       -58987.437      1.942     8568.569    0.027 B-   6605.966    2.691  72 936674.378      2.084
-  13   43   30   73 Zn    x  -65593.402      1.863     8648.345    0.026 B-   4105.932    2.506  72 929582.582      2.000
-  11   42   31   73 Ga    x  -69699.335      1.677     8693.873    0.023 B-   1598.188    1.678  72 925174.682      1.800
-   9   41   32   73 Ge       -71297.523      0.057     8705.049    0.001 B-   -344.776    3.853  72 923458.956      0.061
-   7   40   33   73 As       -70952.747      3.853     8689.609    0.053 B-  -2725.360    7.399  72 923829.089      4.136
-   5   39   34   73 Se       -68227.387      7.424     8641.558    0.102 B-  -4579.912   10.388  72 926754.883      7.969
-   3   38   35   73 Br    x  -63647.475      7.266     8568.103    0.100 B-  -7095.725    9.801  72 931671.621      7.800
-   1   37   36   73 Kr    x  -56551.751      6.578     8460.184    0.090 B- -10470#     200#     72 939289.195      7.061
-  -1   36   37   73 Rb   -p  -46082#       200#        8306#       3#    B- -14131#     448#     72 950529#       215#
-  -3   35   38   73 Sr    x  -31950#       401#        8102#       5#    B-      *               72 965700#       430#
-0 22   48   26   74 Fe    x  -19590#       600#        8061#       8#    B-  13230#     781#     73 978969#       644#
-  20   47   27   74 Co    x  -32820#       500#        8229#       7#    B-  15636#     537#     73 964766#       537#
-  18   46   28   74 Ni    x  -48456#       196#        8430#       3#    B-   7550#     196#     73 947980#       210#
-  16   45   29   74 Cu    x  -56006.205      6.148     8521.562    0.083 B-   9750.507    6.642  73 939874.862      6.600
-  14   44   30   74 Zn    x  -65756.712      2.515     8642.754    0.034 B-   2292.905    3.910  73 929407.262      2.700
-  12   43   31   74 Ga    x  -68049.617      2.994     8663.167    0.040 B-   5372.824    2.994  73 926945.726      3.214
-  10   42   32   74 Ge       -73422.442      0.013     8725.200    0.000 B-  -2562.387    1.693  73 921177.762      0.013
-   8   41   33   74 As       -70860.054      1.693     8680.001    0.023 B-   1353.147    1.693  73 923928.598      1.817
-   6   40   34   74 Se       -72213.201      0.015     8687.715    0.000 B-  -6925.049    5.835  73 922475.935      0.015
-   4   39   35   74 Br       -65288.153      5.835     8583.561    0.079 B-  -2956.317    6.173  73 929910.281      6.264
-   2   38   36   74 Kr       -62331.836      2.013     8533.038    0.027 B- -10415.827    3.424  73 933084.017      2.161
-   0   37   37   74 Rb       -51916.009      3.027     8381.712    0.041 B- -11089#     100#     73 944265.868      3.249
-  -2   36   38   74 Sr    x  -40827#       100#        8221#       1#    B-      *               73 956170#       107#
-0 23   49   26   75 Fe    x  -13640#       600#        7982#       8#    B-  16010#     781#     74 985357#       644#
-  21   48   27   75 Co    x  -29649#       500#        8185#       7#    B-  14380#     583#     74 968170#       537#
-  19   47   28   75 Ni    x  -44030#       300#        8366#       4#    B-  10441#     300#     74 952732#       322#
-  17   46   29   75 Cu    x  -54471.341      2.330     8495.094    0.031 B-   8087.567    3.042  74 941522.606      2.501
-  15   45   30   75 Zn    x  -62558.908      1.956     8592.497    0.026 B-   5905.672    3.113  74 932840.246      2.100
-  13   44   31   75 Ga    x  -68464.580      2.422     8660.808    0.032 B-   3392.384    2.422  74 926500.246      2.600
-  11   43   32   75 Ge   -n  -71856.965      0.052     8695.609    0.001 B-   1177.231    0.885  74 922858.371      0.055
-   9   42   33   75 As       -73034.195      0.884     8700.874    0.012 B-   -864.714    0.882  74 921594.562      0.948
-   7   41   34   75 Se       -72169.481      0.073     8678.913    0.001 B-  -3062.472    4.285  74 922522.871      0.078
-   5   40   35   75 Br    x  -69107.009      4.285     8627.649    0.057 B-  -4783.385    9.167  74 925810.570      4.600
-   3   39   36   75 Kr    x  -64323.624      8.104     8553.439    0.108 B-  -7104.929    8.189  74 930945.746      8.700
-   1   38   37   75 Rb    x  -57218.694      1.180     8448.275    0.016 B- -10600.000  220.000  74 938573.201      1.266
-  -1   37   38   75 Sr    -  -46618.694    220.003     8296.511    2.933 B- -14799#     372#     74 949952.770    236.183
-  -3   36   39   75 Y     x  -31820#       300#        8089#       4#    B-      *               74 965840#       322#
-0 22   49   27   76 Co    x  -24510#       600#        8116#       8#    B-  17120#     721#     75 973687#       644#
-  20   48   28   76 Ni    x  -41630#       400#        8331#       5#    B-   9346#     400#     75 955308#       429#
-  18   47   29   76 Cu    x  -50975.985      6.707     8443.527    0.088 B-  11327.031    6.863  75 945275.025      7.200
-  16   46   30   76 Zn       -62303.016      1.456     8582.273    0.019 B-   3993.624    2.438  75 933114.957      1.562
-  14   45   31   76 Ga    x  -66296.640      1.956     8624.526    0.026 B-   6916.249    1.956  75 928827.625      2.100
-  12   44   32   76 Ge       -73212.889      0.018     8705.236    0.000 B-   -921.512    0.886  75 921402.726      0.019
-  10   43   33   76 As   -n  -72291.377      0.886     8682.816    0.012 B-   2960.573    0.886  75 922392.010      0.951
-   8   42   34   76 Se       -75251.950      0.016     8711.477    0.000 B-  -4962.881    9.322  75 919213.704      0.017
-   6   41   35   76 Br    -  -70289.068      9.322     8635.882    0.123 B-  -1275.355   10.149  75 924541.577     10.007
-   4   40   36   76 Kr       -69013.714      4.013     8608.807    0.053 B-  -8534.633    4.121  75 925910.726      4.308
-   2   39   37   76 Rb    x  -60479.081      0.938     8486.215    0.012 B-  -6231.442   34.478  75 935073.032      1.006
-   0   38   38   76 Sr    x  -54247.639     34.465     8393.929    0.453 B- -15768#     302#     75 941762.761     37.000
-  -2   37   39   76 Y     x  -38480#       300#        8176#       4#    B-      *               75 958690#       322#
-0 23   50   27   77 Co    x  -21015#       600#        8070#       8#    B-  15785#     781#     76 977440#       644#
-  21   49   28   77 Ni    x  -36800#       500#        8265#       6#    B-  11824#     522#     76 960494#       537#
-  19   48   29   77 Cu    x  -48624#       149#        8408#       2#    B-  10165#     149#     76 947800#       160#
-  17   47   30   77 Zn       -58789.195      1.973     8530.003    0.026 B-   7203.149    3.124  76 936887.199      2.117
-  15   46   31   77 Ga    x  -65992.344      2.422     8613.390    0.031 B-   5220.518    2.422  76 929154.300      2.600
-  13   45   32   77 Ge   -n  -71212.862      0.053     8671.028    0.001 B-   2703.456    1.694  76 923549.844      0.056
-  11   44   33   77 As       -73916.318      1.693     8695.978    0.022 B-    683.170    1.693  76 920647.564      1.817
-   9   43   34   77 Se       -74599.488      0.062     8694.690    0.001 B-  -1364.680    2.810  76 919914.150      0.067
-   7   42   35   77 Br    -  -73234.809      2.811     8666.806    0.037 B-  -3065.366    3.424  76 921379.194      3.017
-   5   41   36   77 Kr    x  -70169.443      1.956     8616.836    0.025 B-  -5338.951    2.351  76 924670.000      2.100
-   3   40   37   77 Rb    x  -64830.492      1.304     8537.339    0.017 B-  -7027.055    8.024  76 930401.600      1.400
-   1   39   38   77 Sr    x  -57803.436      7.918     8435.918    0.103 B- -11365#     203#     76 937945.455      8.500
-  -1   38   39   77 Y    -p  -46439#       203#        8278#       3#    B- -14399#     448#     76 950146#       218#
-  -3   37   40   77 Zr    x  -32040#       400#        8081#       5#    B-      *               76 965604#       429#
-0 22   50   28   78 Ni    x  -33890#       600#        8225#       8#    B-  10608#     783#     77 963618#       644#
-  20   49   29   78 Cu    x  -44497.469    503.007     8350.925    6.449 B-  12985.766  503.011  77 952230.000    540.000
-  18   48   30   78 Zn       -57483.235      1.944     8507.379    0.025 B-   6222.716    2.719  77 938289.205      2.086
-  16   47   31   78 Ga       -63705.950      1.903     8577.127    0.024 B-   8156.099    4.015  77 931608.845      2.043
-  14   46   32   78 Ge  -nn  -71862.050      3.536     8671.663    0.045 B-    954.890   10.400  77 922852.912      3.795
-  12   45   33   78 As  +pn  -72816.940      9.781     8673.875    0.125 B-   4209.004    9.782  77 921827.795     10.500
-  10   44   34   78 Se       -77025.944      0.179     8717.806    0.002 B-  -3573.784    3.575  77 917309.243      0.191
-   8   43   35   78 Br    -  -73452.160      3.580     8661.959    0.046 B-    726.116    3.584  77 921145.859      3.842
-   6   42   36   78 Kr       -74178.275      0.307     8661.238    0.004 B-  -7242.857    3.252  77 920366.341      0.329
-   4   41   37   78 Rb    x  -66935.419      3.237     8558.350    0.042 B-  -3761.477    8.125  77 928141.868      3.475
-   2   40   38   78 Sr    x  -63173.941      7.452     8500.096    0.096 B- -11001#     298#     77 932179.980      8.000
-   0   39   39   78 Y     x  -52173#       298#        8349#       4#    B- -11323#     499#     77 943990#       320#
-  -2   38   40   78 Zr    x  -40850#       400#        8194#       5#    B-      *               77 956146#       429#
-0 23   51   28   79 Ni    x  -27570#       600#        8143#       8#    B-  14170#     671#     78 970402#       644#
-  21   50   29   79 Cu    x  -41740#       300#        8312#       4#    B-  11692#     300#     78 955190#       322#
-  19   49   30   79 Zn       -53432.295      2.225     8450.582    0.028 B-   9115.384    2.901  78 942638.068      2.388
-  17   48   31   79 Ga       -62547.679      1.868     8556.063    0.024 B-   6978.913   37.147  78 932852.301      2.005
-  15   47   32   79 Ge       -69526.592     37.181     8634.501    0.471 B-   4109.457   37.456  78 925360.129     39.915
-  13   46   33   79 As       -73636.049      5.328     8676.616    0.067 B-   2281.410    5.331  78 920948.445      5.719
-  11   45   34   79 Se   -n  -75917.459      0.223     8695.592    0.003 B-    150.576    1.038  78 918499.251      0.238
-   9   44   35   79 Br   +n  -76068.035      1.021     8687.594    0.013 B-  -1625.778    3.333  78 918337.601      1.095
-   7   43   36   79 Kr    -  -74442.257      3.486     8657.112    0.044 B-  -3639.271    4.092  78 920082.945      3.742
-   5   42   37   79 Rb    x  -70802.985      2.142     8601.142    0.027 B-  -5326.096    8.653  78 923989.864      2.300
-   3   41   38   79 Sr    x  -65476.889      8.383     8523.820    0.106 B-  -7659.056   79.620  78 929707.664      9.000
-   1   40   39   79 Y     x  -57817.833     79.177     8416.967    1.002 B- -11048#     310#     78 937930.000     85.000
-  -1   39   40   79 Zr    x  -46770#       300#        8267#       4#    B- -15120#     583#     78 949790#       322#
-  -3   38   41   79 Nb    x  -31650#       500#        8066#       6#    B-      *               78 966022#       537#
-0 24   52   28   80 Ni    x  -22630#       700#        8080#       9#    B-  13570#     806#     79 975706#       751#
-  22   51   29   80 Cu    x  -36200#       400#        8240#       5#    B-  15449#     400#     79 961138#       429#
-  20   50   30   80 Zn       -51648.612      2.585     8423.545    0.032 B-   7575.055    3.877  79 944552.930      2.774
-  18   49   31   80 Ga    x  -59223.667      2.891     8508.454    0.036 B-  10311.639    3.541  79 936420.774      3.103
-  16   48   32   80 Ge    x  -69535.306      2.054     8627.570    0.026 B-   2679.187    3.915  79 925350.774      2.205
-  14   47   33   80 As    x  -72214.493      3.333     8651.280    0.042 B-   5544.964    3.445  79 922474.548      3.577
-  12   46   34   80 Se       -77759.457      0.963     8710.813    0.012 B-  -1870.464    0.310  79 916521.785      1.034
-  10   45   35   80 Br    -  -75888.993      1.012     8677.653    0.013 B-   2004.353    1.154  79 918529.810      1.086
-   8   44   36   80 Kr       -77893.346      0.691     8692.928    0.009 B-  -5717.879    1.987  79 916378.048      0.742
-   6   43   37   80 Rb    x  -72175.467      1.863     8611.675    0.023 B-  -1864.009    3.933  79 922516.444      2.000
-   4   42   38   80 Sr    x  -70311.459      3.464     8578.596    0.043 B-  -9163.307    7.139  79 924517.540      3.718
-   2   41   39   80 Y     x  -61148.152      6.242     8454.275    0.078 B-  -6788#     300#     79 934354.755      6.701
-   0   40   40   80 Zr    x  -54360#       300#        8360#       4#    B- -15940#     500#     79 941642#       322#
-  -2   39   41   80 Nb    x  -38420#       400#        8151#       5#    B-      *               79 958754#       429#
-0 23   52   29   81 Cu    x  -31420#       500#        8179#       6#    B-  14779#     500#     80 966269#       537#
-  21   51   30   81 Zn    x  -46199.663      5.030     8351.925    0.062 B-  11428.292    5.996  80 950402.619      5.400
-  19   50   31   81 Ga    x  -57627.954      3.264     8483.357    0.040 B-   8663.733    3.851  80 938133.842      3.503
-  17   49   32   81 Ge    x  -66291.687      2.055     8580.658    0.025 B-   6241.617    3.344  80 928832.942      2.205
-  15   48   33   81 As       -72533.304      2.644     8648.056    0.033 B-   3855.684    2.812  80 922132.290      2.838
-  13   47   34   81 Se       -76388.988      0.992     8685.999    0.012 B-   1588.046    1.389  80 917993.044      1.065
-  11   46   35   81 Br       -77977.034      0.978     8695.946    0.012 B-   -280.853    0.471  80 916288.206      1.049
-   9   45   36   81 Kr       -77696.181      1.074     8682.820    0.013 B-  -2239.511    5.019  80 916589.714      1.152
-   7   44   37   81 Rb       -75456.670      4.904     8645.513    0.061 B-  -3928.545    5.817  80 918993.927      5.264
-   5   43   38   81 Sr    x  -71528.125      3.128     8587.354    0.039 B-  -5815.214    6.245  80 923211.394      3.358
-   3   42   39   81 Y     x  -65712.912      5.405     8505.902    0.067 B-  -8252.773   94.236  80 929454.283      5.802
-   1   41   40   81 Zr    x  -57460.139     94.081     8394.358    1.161 B- -11100#     411#     80 938314.000    101.000
-  -1   40   41   81 Nb    x  -46360#       400#        8248#       5#    B- -14610#     640#     80 950230#       429#
-  -3   39   42   81 Mo    x  -31750#       500#        8058#       6#    B-      *               80 965915#       537#
-0 24   53   29   82 Cu    x  -25320#       600#        8103#       7#    B-  16994#     600#     81 972818#       644#
-  22   52   30   82 Zn    x  -42313.954      3.074     8301.117    0.037 B-  10616.764    3.916  81 954574.099      3.300
-  20   51   31   82 Ga    x  -52930.719      2.426     8421.049    0.030 B-  12484.348    3.296  81 943176.533      2.604
-  18   50   32   82 Ge    x  -65415.067      2.241     8563.756    0.027 B-   4690.352    4.345  81 929774.033      2.405
-  16   49   33   82 As    x  -70105.419      3.729     8611.414    0.045 B-   7488.463    3.758  81 924738.733      4.003
-  14   48   34   82 Se       -77593.882      0.467     8693.196    0.006 B-    -95.221    1.077  81 916699.537      0.500
-  12   47   35   82 Br       -77498.661      0.971     8682.494    0.012 B-   3093.124    0.971  81 916801.760      1.042
-  10   46   36   82 Kr       -80591.78515    0.00549   8710.675    0.000 B-  -4403.982    3.009  81 913481.15520    0.00589
-   8   45   37   82 Rb   IT  -76187.803      3.009     8647.427    0.037 B-   -177.751    6.705  81 918209.024      3.230
-   6   44   38   82 Sr       -76010.053      5.992     8635.718    0.073 B-  -7945.961    8.132  81 918399.847      6.432
-   4   43   39   82 Y     x  -68064.091      5.499     8529.275    0.067 B-  -4432.804   12.457  81 926930.188      5.902
-   2   42   40   82 Zr    x  -63631.287     11.178     8465.676    0.136 B- -11541#     300#     81 931689.000     12.000
-   0   41   41   82 Nb    x  -52090#       300#        8315#       4#    B- -11720#     500#     81 944079#       322#
-  -2   40   42   82 Mo    x  -40370#       400#        8163#       5#    B-      *               81 956661#       429#
-0 23   53   30   83 Zn    x  -36290#       300#        8226#       4#    B-  12967#     300#     82 961041#       322#
-  21   52   31   83 Ga    x  -49257.122      2.613     8372.575    0.031 B-  11719.312    3.559  82 947120.301      2.804
-  19   51   32   83 Ge    x  -60976.435      2.427     8504.345    0.029 B-   8692.888    3.698  82 934539.101      2.605
-  17   50   33   83 As    x  -69669.323      2.799     8599.653    0.034 B-   5671.207    4.129  82 925206.901      3.004
-  15   49   34   83 Se   -n  -75340.530      3.036     8658.555    0.037 B-   3673.179    4.839  82 919118.609      3.259
-  13   48   35   83 Br       -79013.709      3.795     8693.384    0.046 B-    976.924    3.795  82 915175.289      4.073
-  11   47   36   83 Kr       -79990.633      0.009     8695.729    0.000 B-   -920.004    2.329  82 914126.518      0.009
-   9   46   37   83 Rb       -79070.630      2.329     8675.218    0.028 B-  -2273.024    6.424  82 915114.182      2.500
-   7   45   38   83 Sr       -76797.606      6.834     8638.407    0.082 B-  -4591.941   19.844  82 917554.374      7.336
-   5   44   39   83 Y     x  -72205.665     18.631     8573.656    0.224 B-  -6294.012   19.707  82 922484.025     20.000
-   3   43   40   83 Zr    x  -65911.654      6.430     8488.399    0.077 B-  -8355.571  151.039  82 929240.925      6.902
-   1   42   41   83 Nb    x  -57556.083    150.902     8378.304    1.818 B- -11216#     428#     82 938211.000    162.000
-  -1   41   42   83 Mo    x  -46340#       401#        8234#       5#    B- -15020#     641#     82 950252#       430#
-  -3   40   43   83 Tc    x  -31320#       500#        8043#       6#    B-      *               82 966377#       537#
-0 24   54   30   84 Zn    x  -31930#       400#        8172#       5#    B-  12158#     447#     83 965722#       429#
-  22   53   31   84 Ga    x  -44088#       200#        8307#       2#    B-  14061#     200#     83 952670#       215#
-  20   52   32   84 Ge    x  -58148.428      3.171     8465.524    0.038 B-   7705.132    4.479  83 937575.091      3.403
-  18   51   33   84 As    x  -65853.560      3.171     8547.938    0.038 B-  10094.161    3.722  83 929303.291      3.403
-  16   50   34   84 Se       -75947.721      1.961     8658.793    0.023 B-   1835.363   25.765  83 918466.762      2.105
-  14   49   35   84 Br       -77783.084     25.730     8671.329    0.306 B-   4656.251   25.730  83 916496.419     27.622
-  12   48   36   84 Kr       -82439.33510    0.00379   8717.446    0.000 B-  -2680.371    2.194  83 911497.72863    0.00407
-  10   47   37   84 Rb       -79758.964      2.194     8676.224    0.026 B-    890.606    2.336  83 914375.225      2.355
-   8   46   38   84 Sr       -80649.570      1.243     8677.512    0.015 B-  -6755.139    4.411  83 913419.120      1.334
-   6   45   39   84 Y        -73894.431      4.299     8587.780    0.051 B-  -2472.745    6.977  83 920671.061      4.615
-   4   44   40   84 Zr    x  -71421.686      5.499     8549.029    0.065 B- -10202.968   14.153  83 923325.662      5.903
-   2   43   41   84 Nb    x  -61218.717     13.041     8418.252    0.155 B-  -7049#     298#     83 934279.000     14.000
-   0   42   42   84 Mo    x  -54170#       298#        8325#       4#    B- -16470#     499#     83 941846#       320#
-  -2   41   43   84 Tc    x  -37700#       400#        8120#       5#    B-      *               83 959527#       429#
-0 25   55   30   85 Zn    x  -25230#       500#        8092#       6#    B-  14619#     582#     84 972914#       537#
-  23   54   31   85 Ga    x  -39849#       298#        8255#       4#    B-  13274#     298#     84 957220#       320#
-  21   53   32   85 Ge    x  -53123.420      3.729     8401.768    0.044 B-  10065.724    4.830  84 942969.659      4.003
-  19   52   33   85 As    x  -63189.144      3.078     8510.984    0.036 B-   9224.492    4.031  84 932163.659      3.304
-  17   51   34   85 Se  +3p  -72413.636      2.613     8610.304    0.031 B-   6161.833    4.031  84 922260.759      2.804
-  15   50   35   85 Br +n2p  -78575.469      3.078     8673.592    0.036 B-   2904.861    3.671  84 915645.759      3.304
-  13   49   36   85 Kr    +  -81480.331      2.000     8698.562    0.024 B-    687.000    2.000  84 912527.262      2.147
-  11   48   37   85 Rb       -82167.33050    0.00498   8697.441    0.000 B-  -1064.051    2.813  84 911789.73760    0.00534
-   9   47   38   85 Sr       -81103.280      2.813     8675.718    0.033 B-  -3261.157   19.173  84 912932.043      3.020
-   7   46   39   85 Y     x  -77842.123     18.965     8628.148    0.223 B-  -4666.934   20.026  84 916433.039     20.360
-   5   45   40   85 Zr    x  -73175.189      6.430     8564.039    0.076 B-  -6895.514    7.625  84 921443.198      6.902
-   3   44   41   85 Nb    x  -66279.676      4.099     8473.711    0.048 B-  -8769.923   16.357  84 928845.837      4.400
-   1   43   42   85 Mo    x  -57509.753     15.835     8361.331    0.186 B- -11660#     400#     84 938260.737     17.000
-  -1   42   43   85 Tc    x  -45850#       400#        8215#       5#    B- -14900#     640#     84 950778#       429#
-  -3   41   44   85 Ru    x  -30950#       500#        8030#       6#    B-      *               84 966774#       537#
-0 24   55   31   86 Ga    x  -34080#       400#        8186#       5#    B-  15320#     593#     85 963414#       429#
-  22   54   32   86 Ge    x  -49399.922    437.802     8354.629    5.091 B-   9562.221  437.816  85 946967.000    470.000
-  20   53   33   86 As    x  -58962.142      3.450     8456.721    0.040 B-  11541.024    4.267  85 936701.533      3.703
-  18   52   34   86 Se    x  -70503.167      2.520     8581.822    0.029 B-   5129.085    3.972  85 924311.733      2.705
-  16   51   35   86 Br  +pp  -75632.252      3.078     8632.365    0.036 B-   7633.414    3.078  85 918805.433      3.304
-  14   50   36   86 Kr       -83265.66564    0.00369   8712.029    0.000 B-   -518.672    0.200  85 910610.62627    0.00396
-  12   49   37   86 Rb   -n  -82746.993      0.200     8696.901    0.002 B-   1776.096    0.200  85 911167.443      0.214
-  10   48   38   86 Sr       -84523.08935    0.00522   8708.456    0.000 B-  -5240.000   14.142  85 909260.72631    0.00561
-   8   47   39   86 Y     -  -79283.089     14.142     8638.428    0.164 B-  -1314.075   14.585  85 914886.098     15.182
-   6   46   40   86 Zr       -77969.014      3.566     8614.051    0.041 B-  -8834.960    6.552  85 916296.815      3.827
-   4   45   41   86 Nb    x  -69134.054      5.499     8502.222    0.064 B-  -5023.810    6.642  85 925781.535      5.903
-   2   44   42   86 Mo    x  -64110.245      3.726     8434.709    0.043 B- -12540#     300#     85 931174.817      4.000
-   0   43   43   86 Tc    x  -51570#       300#        8280#       3#    B- -11800#     500#     85 944637#       322#
-  -2   42   44   86 Ru    x  -39770#       400#        8133#       5#    B-      *               85 957305#       429#
-0 25   56   31   87 Ga    x  -29250#       500#        8129#       6#    B-  14828#     583#     86 968599#       537#
-  23   55   32   87 Ge    x  -44078#       300#        8290#       3#    B-  11540#     300#     86 952680#       322#
-  21   54   33   87 As    x  -55617.907      2.985     8413.851    0.034 B-  10808.218    3.726  86 940291.718      3.204
-  19   53   34   87 Se    x  -66426.125      2.241     8529.091    0.026 B-   7465.552    3.877  86 928688.618      2.405
-  17   52   35   87 Br 2p-n  -73891.676      3.171     8605.910    0.036 B-   6817.845    3.181  86 920674.018      3.404
-  15   51   36   87 Kr   -n  -80709.522      0.246     8675.283    0.003 B-   3888.269    0.246  86 913354.759      0.264
-  13   50   37   87 Rb       -84597.791      0.006     8710.983    0.000 B-    282.275    0.006  86 909180.531      0.006
-  11   49   38   87 Sr       -84880.06595    0.00510   8705.236    0.000 B-  -1861.690    1.128  86 908877.49615    0.00548
-   9   48   39   87 Y     -  -83018.376      1.128     8674.844    0.013 B-  -3671.239    4.296  86 910876.102      1.210
-   7   47   40   87 Zr       -79347.137      4.146     8623.654    0.048 B-  -5472.651    7.963  86 914817.339      4.450
-   5   46   41   87 Nb    x  -73874.486      6.802     8551.757    0.078 B-  -6989.678    7.378  86 920692.472      7.302
-   3   45   42   87 Mo       -66884.808      2.857     8462.424    0.033 B-  -9194.764    5.073  86 928196.201      3.067
-   1   44   43   87 Tc    x  -57690.044      4.192     8347.744    0.048 B- -12170#     400#     86 938067.187      4.500
-  -1   43   44   87 Ru    x  -45520#       400#        8199#       5#    B-      *               86 951132#       429#
-0 24   56   32   88 Ge    x  -40138#       400#        8243#       5#    B-  10582#     445#     87 956910#       429#
-  22   55   33   88 As    x  -50720#       196#        8354#       2#    B-  13164#     196#     87 945550#       210#
-  20   54   34   88 Se    x  -63884.195      3.357     8495.004    0.038 B-   6831.763    4.613  87 931417.491      3.604
-  18   53   35   88 Br   ++  -70715.959      3.171     8563.747    0.036 B-   8975.327    4.106  87 924083.291      3.404
-  16   52   36   88 Kr    x  -79691.286      2.608     8656.849    0.030 B-   2917.709    2.613  87 914447.881      2.800
-  14   51   37   88 Rb       -82608.995      0.159     8681.115    0.002 B-   5312.623    0.159  87 911315.591      0.171
-  12   50   38   88 Sr       -87921.61793    0.00558   8732.595    0.000 B-  -3622.600    1.500  87 905612.25561    0.00599
-  10   49   39   88 Y     -  -84299.018      1.500     8682.539    0.017 B-   -670.147    5.608  87 909501.276      1.610
-   8   48   40   88 Zr       -83628.871      5.403     8666.033    0.061 B-  -7455.284   58.886  87 910220.709      5.800
-   6   47   41   88 Nb       -76173.586     58.810     8572.424    0.668 B-  -3487.042   58.933  87 918224.287     63.134
-   4   46   42   88 Mo    x  -72686.544      3.819     8523.908    0.043 B- -11005.229  149.088  87 921967.781      4.100
-   2   45   43   88 Tc    x  -61681.315    149.039     8389.958    1.694 B-  -7342#     335#     87 933782.381    160.000
-   0   44   44   88 Ru    x  -54340#       300#        8298#       3#    B- -17479#     500#     87 941664#       322#
-  -2   43   45   88 Rh    x  -36860#       400#        8090#       5#    B-      *               87 960429#       429#
-0 25   57   32   89 Ge    x  -33729#       400#        8169#       4#    B-  13069#     499#     88 963790#       429#
-  23   56   33   89 As    x  -46798#       298#        8307#       3#    B-  12194#     298#     88 949760#       320#
-  21   55   34   89 Se    x  -58992.391      3.729     8435.279    0.042 B-   9281.872    4.951  88 936669.059      4.003
-  19   54   35   89 Br    x  -68274.263      3.264     8530.779    0.037 B-   8261.522    3.904  88 926704.559      3.504
-  17   53   36   89 Kr    x  -76535.785      2.142     8614.815    0.024 B-   5176.604    5.834  88 917835.450      2.300
-  15   52   37   89 Rb       -81712.388      5.427     8664.189    0.061 B-   4496.628    5.427  88 912278.137      5.825
-  13   51   38   89 Sr       -86209.017      0.092     8705.922    0.001 B-   1499.336    1.615  88 907450.808      0.098
-  11   50   39   89 Y        -87708.352      1.612     8713.978    0.018 B-  -2832.792    2.776  88 905841.205      1.730
-   9   49   40   89 Zr       -84875.561      3.083     8673.359    0.035 B-  -4250.351   23.743  88 908882.332      3.310
-   7   48   41   89 Nb       -80625.209     23.631     8616.812    0.266 B-  -5610.275   23.953  88 913445.272     25.369
-   5   47   42   89 Mo    x  -75014.935      3.912     8544.984    0.044 B-  -7620.087    5.467  88 919468.150      4.200
-   3   46   43   89 Tc    x  -67394.848      3.819     8450.575    0.043 B-  -9135#     298#     88 927648.650      4.100
-   1   45   44   89 Ru    x  -58260#       298#        8339#       3#    B- -12400#     468#     88 937455#       320#
-  -1   44   45   89 Rh   -p  -45861#       361#        8191#       4#    B-      *               88 950767#       387#
-0 26   58   32   90 Ge    x  -29221#       500#        8118#       6#    B-  12109#     640#     89 968630#       537#
-  24   57   33   90 As    x  -41330#       400#        8244#       4#    B-  14470#     518#     89 955630#       429#
-  22   56   34   90 Se    x  -55800.217    329.749     8395.766    3.664 B-   8200.081  329.766  89 940096.000    354.000
-  20   55   35   90 Br    x  -64000.298      3.357     8478.186    0.037 B-  10958.952    3.840  89 931292.850      3.604
-  18   54   36   90 Kr    x  -74959.250      1.863     8591.259    0.021 B-   4405.154    6.746  89 919527.930      2.000
-  16   53   37   90 Rb       -79364.404      6.484     8631.512    0.072 B-   6583.723    6.544  89 914798.803      6.960
-  14   52   38   90 Sr       -85948.127      2.124     8695.972    0.024 B-    545.934    1.406  89 907730.885      2.280
-  12   51   39   90 Y        -86494.062      1.611     8693.345    0.018 B-   2278.474    1.609  89 907144.800      1.729
-  10   50   40   90 Zr       -88772.535      0.118     8709.969    0.001 B-  -6111.016    3.316  89 904698.758      0.126
-   8   49   41   90 Nb       -82661.519      3.317     8633.376    0.037 B-  -2489.016    3.316  89 911259.204      3.561
-   6   48   42   90 Mo       -80172.503      3.463     8597.028    0.038 B-  -9447.816    3.611  89 913931.272      3.717
-   4   47   43   90 Tc    x  -70724.687      1.025     8483.359    0.011 B-  -5840.895    3.869  89 924073.921      1.100
-   2   46   44   90 Ru       -64883.792      3.730     8409.768    0.041 B- -13184#     300#     89 930344.379      4.004
-   0   45   45   90 Rh    x  -51700#       300#        8255#       3#    B- -11990#     500#     89 944498#       322#
-  -2   44   46   90 Pd    x  -39710#       400#        8113#       4#    B-      *               89 957370#       429#
-0 25   58   33   91 As    x  -36896#       400#        8193#       4#    B-  13684#     589#     90 960390#       429#
-  23   57   34   91 Se    x  -50580.124    433.145     8334.837    4.760 B-  10527.169  433.159  90 945700.000    465.000
-  21   56   35   91 Br -n2p  -61107.294      3.544     8441.923    0.039 B-   9866.671    4.190  90 934398.618      3.804
-  19   55   36   91 Kr    x  -70973.965      2.236     8541.751    0.025 B-   6771.072    8.115  90 923806.310      2.400
-  17   54   37   91 Rb       -77745.037      7.801     8607.561    0.086 B-   5906.890    8.873  90 916537.265      8.375
-  15   53   38   91 Sr       -83651.927      5.453     8663.875    0.060 B-   2699.369    5.247  90 910195.958      5.853
-  13   52   39   91 Y        -86351.295      1.843     8684.941    0.020 B-   1544.271    1.840  90 907298.066      1.978
-  11   51   40   91 Zr       -87895.566      0.105     8693.314    0.001 B-  -1257.565    2.924  90 905640.223      0.112
-   9   50   41   91 Nb       -86638.001      2.926     8670.897    0.032 B-  -4429.180    6.744  90 906990.274      3.141
-   7   49   42   91 Mo       -82208.821      6.238     8613.628    0.069 B-  -6222.175    6.671  90 911745.195      6.696
-   5   48   43   91 Tc       -75986.646      2.363     8536.655    0.026 B-  -7746.824    3.242  90 918424.975      2.536
-   3   47   44   91 Ru       -68239.823      2.221     8442.928    0.024 B-  -9670#     298#     90 926741.532      2.384
-   1   46   45   91 Rh    x  -58570#       298#        8328#       3#    B- -12639#     499#     90 937123#       320#
-  -1   45   46   91 Pd    x  -45930#       401#        8181#       4#    B-      *               90 950692#       430#
-0 26   59   33   92 As    x  -30981#       500#        8127#       5#    B-  15742#     640#     91 966740#       537#
-  24   58   34   92 Se    x  -46724#       400#        8290#       4#    B-   9509#     400#     91 949840#       429#
-  22   57   35   92 Br    x  -56232.805      6.709     8384.911    0.073 B-  12536.514    7.232  91 939631.597      7.202
-  20   56   36   92 Kr    x  -68769.320      2.701     8512.674    0.029 B-   6003.118    6.692  91 926173.094      2.900
-  18   55   37   92 Rb       -74772.438      6.123     8569.422    0.067 B-   8094.923    6.419  91 919728.481      6.573
-  16   54   38   92 Sr       -82867.361      3.423     8648.906    0.037 B-   1949.132    9.384  91 911038.224      3.675
-  14   53   39   92 Y        -84816.492      9.127     8661.589    0.099 B-   3642.535    9.127  91 908945.745      9.798
-  12   52   40   92 Zr       -88459.028      0.102     8692.678    0.001 B-  -2005.736    1.782  91 905035.322      0.109
-  10   51   41   92 Nb       -86453.292      1.785     8662.372    0.019 B-    355.284    1.791  91 907188.568      1.915
-   8   50   42   92 Mo       -86808.576      0.157     8657.730    0.002 B-  -7882.884    3.106  91 906807.155      0.168
-   6   49   43   92 Tc       -78925.693      3.102     8563.543    0.034 B-  -4624.492    4.125  91 915269.779      3.330
-   4   48   44   92 Ru       -74301.201      2.718     8504.773    0.030 B- -11302.114    5.153  91 920234.375      2.917
-   2   47   45   92 Rh    x  -62999.087      4.378     8373.420    0.048 B-  -8419#     300#     91 932367.694      4.700
-   0   46   46   92 Pd    x  -54580#       300#        8273#       3#    B- -17450#     583#     91 941406#       322#
-  -2   45   47   92 Ag    x  -37130#       500#        8075#       5#    B-      *               91 960139#       537#
-0 25   59   34   93 Se    x  -40716#       400#        8223#       4#    B-  12175#     588#     92 956290#       429#
-  23   58   35   93 Br    x  -52890.230    430.816     8345.598    4.632 B-  11245.765  430.823  92 943220.000    462.500
-  21   57   36   93 Kr    x  -64135.994      2.515     8458.108    0.027 B-   8483.907    8.224  92 931147.174      2.700
-  19   56   37   93 Rb       -72619.901      7.830     8540.920    0.084 B-   7465.938    8.876  92 922039.325      8.406
-  17   55   38   93 Sr       -80085.838      7.554     8612.787    0.081 B-   4141.319   11.697  92 914024.311      8.109
-  15   54   39   93 Y        -84227.157     10.488     8648.905    0.113 B-   2894.875   10.483  92 909578.422     11.259
-  13   53   40   93 Zr       -87122.032      0.457     8671.620    0.005 B-     90.806    1.484  92 906470.646      0.490
-  11   52   41   93 Nb       -87212.838      1.491     8664.184    0.016 B-   -405.769    1.501  92 906373.161      1.600
-   9   51   42   93 Mo   -n  -86807.069      0.181     8651.409    0.002 B-  -3200.963    1.004  92 906808.773      0.193
-   7   50   43   93 Tc   -p  -83606.106      1.012     8608.577    0.011 B-  -6389.393    2.299  92 910245.149      1.086
-   5   49   44   93 Ru       -77216.713      2.065     8531.462    0.022 B-  -8204.913    3.343  92 917104.444      2.216
-   3   48   45   93 Rh       -69011.800      2.629     8434.825    0.028 B- -10011#     301#     92 925912.781      2.821
-   1   47   46   93 Pd   +p  -59001#       300#        8319#       3#    B- -12734#     501#     92 936660#       323#
-  -1   46   47   93 Ag    x  -46267#       401#        8173#       4#    B-      *               92 950330#       430#
-0 26   60   34   94 Se    x  -36803#       500#        8180#       5#    B-  10597#     583#     93 960490#       537#
-  24   59   35   94 Br    x  -47400#       300#        8284#       3#    B-  13948#     300#     93 949114#       322#
-  22   58   36   94 Kr    x  -61347.772     12.109     8424.331    0.129 B-   7215.013   12.278  93 934140.454     13.000
-  20   57   37   94 Rb       -68562.785      2.029     8492.764    0.022 B-  10282.926    2.623  93 926394.818      2.177
-  18   56   38   94 Sr       -78845.711      1.663     8593.834    0.018 B-   3505.752    6.422  93 915355.643      1.785
-  16   55   39   94 Y        -82351.463      6.380     8622.806    0.068 B-   4917.859    6.380  93 911592.063      6.849
-  14   54   40   94 Zr       -87269.322      0.164     8666.801    0.002 B-   -900.260    1.500  93 906312.524      0.175
-  12   53   41   94 Nb       -86369.062      1.491     8648.901    0.016 B-   2045.002    1.494  93 907278.992      1.601
-  10   52   42   94 Mo       -88414.065      0.141     8662.333    0.002 B-  -4255.748    4.069  93 905083.592      0.151
-   8   51   43   94 Tc    -  -84158.317      4.071     8608.736    0.043 B-  -1574.726    5.143  93 909652.325      4.370
-   6   50   44   94 Ru       -82583.591      3.143     8583.661    0.033 B-  -9675.978    4.615  93 911342.863      3.374
-   4   49   45   94 Rh       -72907.613      3.379     8472.402    0.036 B-  -6805.345    5.459  93 921730.453      3.627
-   2   48   46   94 Pd    x  -66102.268      4.287     8391.682    0.046 B- -13693#     400#     93 929036.292      4.602
-   0   47   47   94 Ag    x  -52410#       400#        8238#       4#    B- -12270#     640#     93 943736#       429#
-  -2   46   48   94 Cd    x  -40140#       500#        8099#       5#    B-      *               93 956908#       537#
-0 27   61   34   95 Se    x  -30460#       500#        8112#       5#    B-  13311#     582#     94 967300#       537#
-  25   60   35   95 Br    x  -43771#       298#        8244#       3#    B-  12388#     299#     94 953010#       320#
-  23   59   36   95 Kr    x  -56158.913     18.630     8365.995    0.196 B-   9732.580   27.513  94 939710.923     20.000
-  21   58   37   95 Rb       -65891.493     20.245     8460.208    0.213 B-   9228.058   20.204  94 929262.568     21.734
-  19   57   38   95 Sr       -75119.551      5.812     8549.111    0.061 B-   6089.296    7.240  94 919355.840      6.239
-  17   56   39   95 Y        -81208.848      6.779     8604.973    0.071 B-   4451.092    6.772  94 912818.711      7.277
-  15   55   40   95 Zr       -85659.940      0.869     8643.592    0.009 B-   1126.318    0.985  94 908040.267      0.933
-  13   54   41   95 Nb       -86786.258      0.508     8647.212    0.005 B-    925.601    0.494  94 906831.115      0.545
-  11   53   42   95 Mo       -87711.858      0.123     8648.720    0.001 B-  -1690.518    5.078  94 905837.442      0.132
-   9   52   43   95 Tc       -86021.341      5.080     8622.690    0.053 B-  -2563.596   10.531  94 907652.287      5.453
-   7   51   44   95 Ru       -83457.745      9.502     8587.470    0.100 B-  -5117.138   10.266  94 910404.420     10.200
-   5   50   45   95 Rh       -78340.606      3.886     8525.370    0.041 B-  -8374.706    4.928  94 915897.895      4.171
-   3   49   46   95 Pd    x  -69965.900      3.031     8428.980    0.032 B- -10369#     298#     94 924888.512      3.253
-   1   48   47   95 Ag    x  -59597#       298#        8312#       3#    B- -12966#     499#     94 936020#       320#
-  -1   47   48   95 Cd    x  -46631#       401#        8167#       4#    B-      *               94 949940#       430#
-0 26   61   35   96 Br    x  -38163#       298#        8184#       3#    B-  14916#     299#     95 959030#       320#
-  24   60   36   96 Kr    x  -53079.678     20.493     8330.851    0.213 B-   8274.671   20.765  95 943016.618     22.000
-  22   59   37   96 Rb       -61354.349      3.353     8408.896    0.035 B-  11569.808    9.115  95 934133.393      3.599
-  20   58   38   96 Sr       -72924.157      8.475     8521.265    0.088 B-   5411.738    9.726  95 921712.692      9.098
-  18   57   39   96 Y        -78335.895      6.088     8569.488    0.063 B-   7102.951    6.087  95 915902.953      6.535
-  16   56   40   96 Zr       -85438.846      0.114     8635.327    0.001 B-    163.971    0.100  95 908277.621      0.122
-  14   55   41   96 Nb       -85602.816      0.147     8628.886    0.002 B-   3192.059    0.107  95 908101.591      0.157
-  12   54   42   96 Mo       -88794.876      0.120     8653.987    0.001 B-  -2973.242    5.145  95 904674.774      0.128
-  10   53   43   96 Tc    -  -85821.634      5.146     8614.866    0.054 B-    258.738    5.146  95 907866.681      5.524
-   8   52   44   96 Ru       -86080.372      0.170     8609.412    0.002 B-  -6392.654   10.000  95 907588.914      0.182
-   6   51   45   96 Rh    -  -79687.718     10.001     8534.673    0.104 B-  -3504.312   10.844  95 914451.710     10.737
-   4   50   46   96 Pd    x  -76183.406      4.194     8490.020    0.044 B- -11671.771   90.181  95 918213.744      4.502
-   2   49   47   96 Ag   ep  -64511.636     90.084     8360.290    0.938 B-  -8939#     411#     95 930743.906     96.708
-   0   48   48   96 Cd    x  -55573#       401#        8259#       4#    B- -17683#     641#     95 940340#       430#
-  -2   47   49   96 In    x  -37890#       500#        8067#       5#    B-      *               95 959323#       537#
-0 27   62   35   97 Br    x  -34055#       401#        8140#       4#    B-  13368#     421#     96 963440#       430#
-  25   61   36   97 Kr    x  -47423.492    130.409     8269.864    1.344 B-  11095.645  130.423  96 949088.784    140.000
-  23   60   37   97 Rb       -58519.137      1.912     8376.186    0.020 B-  10062.317    3.888  96 937177.118      2.052
-  21   59   38   97 Sr       -68581.454      3.385     8471.856    0.035 B-   7539.969    7.521  96 926374.776      3.633
-  19   58   39   97 Y     +  -76121.424      6.719     8541.522    0.069 B-   6821.237    6.707  96 918280.286      7.213
-  17   57   40   97 Zr       -82942.661      0.414     8603.779    0.004 B-   2663.115    4.248  96 910957.386      0.444
-  15   56   41   97 Nb       -85605.776      4.249     8623.168    0.044 B-   1938.915    4.248  96 908098.414      4.561
-  13   55   42   97 Mo       -87544.691      0.165     8635.092    0.002 B-   -320.266    4.117  96 906016.903      0.176
-  11   54   43   97 Tc       -87224.424      4.118     8623.725    0.042 B-  -1103.873    4.956  96 906360.723      4.420
-   9   53   44   97 Ru   -n  -86120.552      2.763     8604.279    0.028 B-  -3523.000   35.355  96 907545.779      2.965
-   7   52   45   97 Rh    -  -82597.552     35.463     8559.894    0.366 B-  -4791.709   35.792  96 911327.876     38.071
-   5   51   46   97 Pd    x  -77805.843      4.844     8502.430    0.050 B-  -6980.000  110.000  96 916471.987      5.200
-   3   50   47   97 Ag    -  -70825.843    110.107     8422.405    1.135 B- -10372#     318#     96 923965.326    118.204
-   1   49   48   97 Cd    x  -60454#       298#        8307#       3#    B- -13264#     499#     96 935100#       320#
-  -1   48   49   97 In    x  -47189#       401#        8163#       4#    B-      *               96 949340#       430#
-0 28   63   35   98 Br    x  -28250#       400#        8080#       4#    B-  16061#     499#     97 969672#       429#
-  26   62   36   98 Kr    x  -44311#       298#        8236#       3#    B-  10058#     299#     97 952430#       320#
-  24   61   37   98 Rb       -54369.146     16.083     8330.729    0.164 B-  12053.958   16.403  97 941632.317     17.265
-  22   60   38   98 Sr       -66423.104      3.226     8445.745    0.033 B-   5871.673    8.558  97 928691.860      3.463
-  20   59   39   98 Y  p-2n  -72294.777      7.929     8497.677    0.081 B-   8991.932   11.576  97 922388.360      8.511
-  18   58   40   98 Zr       -81286.709      8.451     8581.448    0.086 B-   2237.890    9.819  97 912735.124      9.072
-  16   57   41   98 Nb  -pn  -83524.598      5.001     8596.301    0.051 B-   4591.373    5.003  97 910332.650      5.369
-  14   56   42   98 Mo       -88115.972      0.174     8635.168    0.002 B-  -1683.766    3.377  97 905403.608      0.186
-  12   55   43   98 Tc       -86432.205      3.380     8610.004    0.034 B-   1792.653    7.157  97 907211.205      3.628
-  10   54   44   98 Ru       -88224.858      6.463     8620.313    0.066 B-  -5049.653   10.000  97 905286.713      6.937
-   8   53   45   98 Rh    -  -83175.205     11.906     8560.803    0.121 B-  -1854.229   12.816  97 910707.740     12.782
-   6   52   46   98 Pd       -81320.975      4.742     8533.899    0.048 B-  -8254.560   33.098  97 912698.337      5.090
-   4   51   47   98 Ag       -73066.415     32.907     8441.686    0.336 B-  -5430.000   40.000  97 921559.972     35.327
-   2   50   48   98 Cd    -  -67636.415     51.797     8378.295    0.529 B- -13740#     303#     97 927389.317     55.605
-   0   49   49   98 In    x  -53896#       298#        8230#       3#    B-      *               97 942140#       320#
-0 27   63   36   99 Kr    x  -38759#       401#        8178#       4#    B-  12362#     401#     98 958390#       430#
-  25   62   37   99 Rb    x  -51121.143      4.031     8295.300    0.041 B-  11400.258    6.223  98 945119.192      4.327
-  23   61   38   99 Sr       -62521.401      4.741     8402.552    0.048 B-   8128.424    8.138  98 932880.511      5.089
-  21   60   39   99 Y     x  -70649.825      6.627     8476.755    0.067 B-   6970.792   12.409  98 924154.288      7.114
-  19   59   40   99 Zr       -77620.617     10.502     8539.264    0.106 B-   4714.724   15.950  98 916670.835     11.274
-  17   58   41   99 Nb   +p  -82335.341     12.004     8578.985    0.121 B-   3634.758   12.006  98 911609.371     12.886
-  15   57   42   99 Mo       -85970.098      0.229     8607.797    0.002 B-   1357.764    0.890  98 907707.298      0.245
-  13   56   43   99 Tc       -87327.862      0.908     8613.610    0.009 B-    297.519    0.946  98 906249.678      0.974
-  11   55   44   99 Ru       -87625.381      0.344     8608.712    0.003 B-  -2044.081    6.690  98 905930.278      0.369
-   9   54   45   99 Rh       -85581.300      6.697     8580.163    0.068 B-  -3398.649    8.008  98 908124.690      7.189
-   7   53   46   99 Pd       -82182.651      4.981     8537.930    0.050 B-  -5470.178    8.004  98 911773.290      5.347
-   5   52   47   99 Ag    x  -76712.473      6.265     8474.774    0.063 B-  -6781.350    6.462  98 917645.768      6.725
-   3   51   48   99 Cd    x  -69931.123      1.584     8398.373    0.016 B-  -8555#     298#     98 924925.847      1.700
-   1   50   49   99 In    x  -61376#       298#        8304#       3#    B- -13432#     585#     98 934110#       320#
-  -1   49   50   99 Sn    x  -47944#       503#        8160#       5#    B-      *               98 948530#       540#
-0 28   64   36  100 Kr    x  -35052#       401#        8140#       4#    B-  11195#     401#     99 962370#       430#
-  26   63   37  100 Rb    x  -46247.064     19.561     8244.320    0.196 B-  13573.838   20.831  99 950351.731     21.000
-  24   62   38  100 Sr       -59820.903      7.160     8372.234    0.072 B-   7506.493   13.273  99 935779.615      7.686
-  22   61   39  100 Y     x  -67327.396     11.186     8439.476    0.112 B-   9050.041   13.830  99 927721.063     12.008
-  20   60   40  100 Zr       -76377.437      8.149     8522.153    0.081 B-   3419.963   11.398  99 918005.444      8.748
-  18   59   41  100 Nb   IT  -79797.399      7.986     8548.529    0.080 B-   6395.626    7.992  99 914333.963      8.573
-  16   58   42  100 Mo       -86193.025      0.302     8604.662    0.003 B-   -172.080    1.371  99 907467.976      0.323
-  14   57   43  100 Tc   -n  -86020.945      1.351     8595.118    0.014 B-   3206.444    1.376  99 907652.711      1.450
-  12   56   44  100 Ru       -89227.389      0.343     8619.359    0.003 B-  -3636.262   18.123  99 904210.452      0.368
-  10   55   45  100 Rh       -85591.126     18.125     8575.172    0.181 B-   -378.348   25.289  99 908114.141     19.458
-   8   54   46  100 Pd       -85212.778     17.638     8563.566    0.176 B-  -7074.819   18.333  99 908520.315     18.935
-   6   53   47  100 Ag    x  -78137.959      5.000     8484.994    0.050 B-  -3943.363    5.273  99 916115.445      5.367
-   4   52   48  100 Cd       -74194.596      1.677     8437.737    0.017 B-  -9881.624  182.517  99 920348.820      1.799
-   2   51   49  100 In       -64312.972    182.519     8331.097    1.825 B-  -7030.000  240.000  99 930957.180    195.942
-   0   50   50  100 Sn    -  -57282.972    301.518     8252.974    3.015 B-      *               99 938504.196    323.693
-0 29   65   36  101 Kr    x  -29128#       503#        8081#       5#    B-  13717#     541#    100 968730#       540#
-  27   64   37  101 Rb    +  -42845#       200#        8209#       2#    B-  12480#     200#    100 954004#       215#
-  25   63   38  101 Sr    x  -55324.907      8.480     8324.740    0.084 B-   9736.095   11.055 100 940606.266      9.103
-  23   62   39  101 Y     x  -65061.002      7.092     8413.391    0.070 B-   8104.955   10.933 100 930154.138      7.614
-  21   61   40  101 Zr       -73165.957      8.339     8485.892    0.083 B-   5725.534    9.143 100 921453.110      8.951
-  19   60   41  101 Nb    x  -78891.491      3.749     8534.835    0.037 B-   4628.458    3.738 100 915306.496      4.024
-  17   59   42  101 Mo   -n  -83519.949      0.309     8572.915    0.003 B-   2824.645   24.002 100 910337.641      0.331
-  15   58   43  101 Tc    +  -86344.594     24.004     8593.136    0.238 B-   1613.520   24.000 100 907305.260     25.768
-  13   57   44  101 Ru       -87958.114      0.415     8601.365    0.004 B-   -545.697    5.852 100 905573.075      0.445
-  11   56   45  101 Rh       -87412.416      5.841     8588.216    0.058 B-  -1980.284    3.903 100 906158.905      6.270
-   9   55   46  101 Pd       -85432.132      4.588     8560.864    0.045 B-  -4097.759    6.668 100 908284.828      4.925
-   7   54   47  101 Ag    x  -81334.374      4.838     8512.546    0.048 B-  -5497.918    5.063 100 912683.953      5.193
-   5   53   48  101 Cd    x  -75836.456      1.490     8450.365    0.015 B-  -7223#     196#    100 918586.211      1.600
-   3   52   49  101 In    x  -68614#       196#        8371#       2#    B-  -8308#     358#    100 926340#       210#
-   1   51   50  101 Sn   ep  -60305.626    300.005     8281.102    2.970 B-      *              100 935259.244    322.068
-0 28   65   37  102 Rb    x  -37707#       298#        8157#       3#    B-  14452#     306#    101 959520#       320#
-  26   64   38  102 Sr    x  -52159.304     67.068     8291.220    0.658 B-   9013.873   67.191 101 944004.680     72.000
-  24   63   39  102 Y     x  -61173.177      4.077     8371.922    0.040 B-  10414.530    9.669 101 934327.889      4.377
-  22   62   40  102 Zr       -71587.707      8.767     8466.355    0.086 B-   4716.837    9.053 101 923147.431      9.412
-  20   61   41  102 Nb       -76304.544      2.545     8504.928    0.025 B-   7261.517    8.675 101 918083.697      2.732
-  18   60   42  102 Mo       -83566.061      8.312     8568.450    0.081 B-   1006.817   12.373 101 910288.138      8.923
-  16   59   43  102 Tc       -84572.878      9.166     8570.650    0.090 B-   4533.558    9.165 101 909207.275      9.840
-  14   58   44  102 Ru       -89106.437      0.418     8607.427    0.004 B-  -2323.119    6.396 101 904340.300      0.448
-  12   57   45  102 Rh    -  -86783.318      6.410     8576.981    0.063 B-   1119.853    6.406 101 906834.270      6.881
-  10   56   46  102 Pd       -87903.171      0.554     8580.290    0.005 B-  -5656.480    8.190 101 905632.058      0.594
-   8   55   47  102 Ag    +  -82246.691      8.171     8517.164    0.080 B-  -2587.000    8.000 101 911704.540      8.771
-   6   54   48  102 Cd       -79659.691      1.662     8484.131    0.016 B-  -8964.807    4.865 101 914481.799      1.784
-   4   53   49  102 In       -70694.884      4.573     8388.571    0.045 B-  -5760.000  100.000 101 924105.916      4.909
-   2   52   50  102 Sn    -  -64934.884    100.105     8324.430    0.981 B-      *              101 930289.530    107.466
-0 29   66   37  103 Rb    x  -33608#       401#        8117#       4#    B-  13814#     446#    102 963920#       430#
-  27   65   38  103 Sr    x  -47422#       196#        8243#       2#    B-  11035#     196#    102 949090#       210#
-  25   64   39  103 Y     x  -58457.575     11.204     8342.638    0.109 B-   9357.759   14.518 102 937243.208     12.028
-  23   63   40  103 Zr    x  -67815.334      9.232     8425.895    0.090 B-   7213.337   10.036 102 927197.240      9.911
-  21   62   41  103 Nb    x  -75028.671      3.935     8488.331    0.038 B-   5931.999   10.036 102 919453.403      4.224
-  19   61   42  103 Mo    x  -80960.670      9.232     8538.328    0.090 B-   3643.197   13.471 102 913085.140      9.911
-  17   60   43  103 Tc   +p  -84603.867      9.810     8566.103    0.095 B-   2663.304    9.808 102 909174.008     10.531
-  15   59   44  103 Ru       -87267.171      0.443     8584.365    0.004 B-    764.538    2.260 102 906314.833      0.475
-  13   58   45  103 Rh       -88031.708      2.301     8584.192    0.022 B-   -574.519    2.420 102 905494.068      2.470
-  11   57   46  103 Pd   -n  -87457.189      0.950     8571.019    0.009 B-  -2654.498    4.207 102 906110.840      1.019
-   9   56   47  103 Ag    x  -84802.692      4.099     8537.651    0.040 B-  -4151.075    4.481 102 908960.560      4.400
-   7   55   48  103 Cd       -80651.616      1.811     8489.754    0.018 B-  -6019.026    9.754 102 913416.923      1.943
-   5   54   49  103 In       -74632.591      9.625     8423.721    0.093 B-  -7660.000   70.000 102 919878.613     10.332
-   3   53   50  103 Sn    -  -66972.591     70.659     8341.757    0.686 B- -10794#     306#    102 928101.962     75.855
-   1   52   51  103 Sb    x  -56178#       298#        8229#       3#    B-      *              102 939690#       320#
-0 28   66   38  104 Sr    x  -44106#       298#        8210#       3#    B-   9958#     499#    103 952650#       320#
-  26   65   39  104 Y     x  -54064#       401#        8298#       4#    B-  11660#     401#    103 941960#       430#
-  24   64   40  104 Zr    x  -65724.060      9.325     8402.377    0.090 B-   6094.952    9.699 103 929442.315     10.011
-  22   63   41  104 Nb    x  -71819.012      2.737     8453.459    0.026 B-   8530.957    9.311 103 922899.115      2.938
-  20   62   42  104 Mo       -80349.968      8.921     8527.965    0.086 B-   2153.476   24.167 103 913740.756      9.576
-  18   61   43  104 Tc       -82503.444     24.888     8541.149    0.239 B-   5592.266   24.939 103 911428.905     26.718
-  16   60   44  104 Ru       -88095.710      2.498     8587.399    0.024 B-  -1136.362    3.364 103 905425.360      2.681
-  14   59   45  104 Rh   -n  -86959.348      2.303     8568.949    0.022 B-   2435.758    2.660 103 906645.295      2.472
-  12   58   46  104 Pd   +n  -89395.105      1.336     8584.848    0.013 B-  -4278.654    4.000 103 904030.401      1.434
-  10   57   47  104 Ag    -  -85116.452      4.217     8536.184    0.041 B-  -1148.072    4.537 103 908623.725      4.527
-   8   56   48  104 Cd       -83968.380      1.673     8517.622    0.016 B-  -7785.716    6.013 103 909856.230      1.795
-   6   55   49  104 In    x  -76182.665      5.775     8435.237    0.056 B-  -4555.617    8.146 103 918214.540      6.200
-   4   54   50  104 Sn       -71627.047      5.745     8383.911    0.055 B- -12453.427  122.579 103 923105.197      6.167
-   2   53   51  104 Sb   -p  -59173.620    122.444     8256.644    1.177 B-      *              103 936474.502    131.449
-0 29   67   38  105 Sr    x  -38610#       503#        8156#       5#    B-  12660#    1428#    104 958550#       540#
-  27   66   39  105 Y     x  -51270.361   1336.694     8269.020   12.730 B-  10194.373 1336.749 104 944959.000   1435.000
-  25   65   40  105 Zr    x  -61464.734     12.118     8358.659    0.115 B-   8450.817   12.770 104 934014.890     13.008
-  23   64   41  105 Nb    x  -69915.551      4.028     8431.692    0.038 B-   7421.590    9.920 104 924942.564      4.324
-  21   63   42  105 Mo       -77337.141      9.065     8494.923    0.086 B-   4952.947   35.031 104 916975.159      9.731
-  19   62   43  105 Tc       -82290.088     35.264     8534.643    0.336 B-   3644.402   35.280 104 911657.952     37.857
-  17   61   44  105 Ru       -85934.490      2.499     8561.900    0.024 B-   1916.752    2.851 104 907745.525      2.682
-  15   60   45  105 Rh       -87851.243      2.502     8572.704    0.024 B-    566.646    2.346 104 905687.806      2.685
-  13   59   46  105 Pd       -88417.888      1.138     8570.650    0.011 B-  -1347.052    4.670 104 905079.487      1.222
-  11   58   47  105 Ag       -87070.836      4.544     8550.370    0.043 B-  -2736.997    4.362 104 906525.607      4.877
-   9   57   48  105 Cd       -84333.839      1.392     8516.852    0.013 B-  -4693.267   10.341 104 909463.895      1.494
-   7   56   49  105 In    x  -79640.572     10.246     8464.704    0.098 B-  -6302.580   10.989 104 914502.324     11.000
-   5   55   50  105 Sn       -73337.992      3.971     8397.228    0.038 B-  -9322.510   22.185 104 921268.423      4.263
-   3   54   51  105 Sb   +a  -64015.482     21.827     8300.992    0.208 B- -11203.972  300.813 104 931276.549     23.431
-   1   53   52  105 Te   -a  -52811.510    300.020     8186.836    2.857 B-      *              104 943304.508    322.084
-0 30   68   38  106 Sr    x  -34790#       600#        8119#       6#    B-  11263#     783#    105 962651#       644#
-  28   67   39  106 Y     x  -46053#       503#        8218#       5#    B-  12497#     664#    105 950560#       540#
-  26   66   40  106 Zr    x  -58549.987    433.145     8328.450    4.086 B-   7653.370  433.164 105 937144.000    465.000
-  24   65   41  106 Nb    x  -66203.357      4.122     8393.271    0.039 B-   9931.170   10.026 105 928927.768      4.424
-  22   64   42  106 Mo    x  -76134.528      9.140     8479.581    0.086 B-   3641.695   15.284 105 918266.218      9.812
-  20   63   43  106 Tc    +  -79776.223     12.250     8506.556    0.116 B-   6547.000   11.000 105 914356.697     13.150
-  18   62   44  106 Ru       -86323.223      5.391     8560.940    0.051 B-     39.404    0.212 105 907328.203      5.787
-  16   61   45  106 Rh       -86362.627      5.390     8553.931    0.051 B-   3544.901    5.335 105 907285.901      5.785
-  14   60   46  106 Pd       -89907.527      1.106     8579.992    0.010 B-  -2965.145    2.817 105 903480.293      1.186
-  12   59   47  106 Ag       -86942.383      3.016     8544.639    0.028 B-    189.755    2.819 105 906663.507      3.237
-  10   58   48  106 Cd       -87132.138      1.104     8539.048    0.010 B-  -6524.004   12.176 105 906459.797      1.184
-   8   57   49  106 In    -  -80608.134     12.226     8470.120    0.115 B-  -3254.447   13.244 105 913463.603     13.125
-   6   56   50  106 Sn       -77353.687      5.091     8432.038    0.048 B- -10880.396    9.025 105 916957.396      5.465
-   4   55   51  106 Sb    x  -66473.292      7.452     8322.012    0.070 B-  -8253.544  100.816 105 928637.982      8.000
-   2   54   52  106 Te   -a  -58219.748    100.541     8236.767    0.948 B-      *              105 937498.526    107.934
-0 31   69   38  107 Sr    x  -28900#       700#        8064#       7#    B-  13465#     862#    106 968975#       751#
-  29   68   39  107 Y     x  -42364#       503#        8182#       5#    B-  12015#    1230#    106 954520#       540#
-  27   67   40  107 Zr    x  -54379.688   1122.450     8287.073   10.490 B-   9344.122 1122.479 106 941621.000   1205.000
-  25   66   41  107 Nb    x  -63723.810      8.023     8367.089    0.075 B-   8827.750   12.232 106 931589.672      8.612
-  23   65   42  107 Mo    x  -72551.560      9.233     8442.280    0.086 B-   6198.355   12.667 106 922112.692      9.912
-  21   64   43  107 Tc    x  -78749.914      8.673     8492.897    0.081 B-   5112.598   11.724 106 915458.485      9.310
-  19   63   44  107 Ru  -nn  -83862.512      8.673     8533.366    0.081 B-   3001.191   14.847 106 909969.885      9.310
-  17   62   45  107 Rh   +p  -86863.703     12.051     8554.103    0.113 B-   1508.936   12.111 106 906747.974     12.937
-  15   61   46  107 Pd       -88372.639      1.201     8560.894    0.011 B-     34.031    2.318 106 905128.064      1.289
-  13   60   47  107 Ag       -88406.670      2.382     8553.900    0.022 B-  -1416.409    2.567 106 905091.531      2.557
-  11   59   48  107 Cd       -86990.261      1.665     8533.351    0.016 B-  -3426.000   11.000 106 906612.108      1.787
-   9   58   49  107 In    -  -83564.261     11.125     8494.021    0.104 B-  -5052.033   12.327 106 910290.071     11.943
-   7   57   50  107 Sn    x  -78512.228      5.310     8439.494    0.050 B-  -7858.989    6.738 106 915713.651      5.700
-   5   56   51  107 Sb       -70653.239      4.148     8358.734    0.039 B- -10113.913   70.952 106 924150.624      4.452
-   3   55   52  107 Te   -a  -60539.326     70.830     8256.899    0.662 B- -11110#     308#    106 935008.356     76.039
-   1   54   53  107 I     x  -49430#       300#        8146#       3#    B-      *              106 946935#       322#
-0 30   69   39  108 Y     x  -37297#       596#        8134#       6#    B-  14056#     718#    107 959960#       640#
-  28   68   40  108 Zr    x  -51353#       401#        8257#       4#    B-   8193#     401#    107 944870#       430#
-  26   67   41  108 Nb    x  -59545.765      8.237     8325.665    0.076 B-  11210.177   12.373 107 936074.988      8.842
-  24   66   42  108 Mo    x  -70755.942      9.233     8422.219    0.085 B-   5166.835   12.734 107 924040.367      9.912
-  22   65   43  108 Tc    x  -75922.778      8.769     8462.816    0.081 B-   7738.573   11.790 107 918493.541      9.413
-  20   64   44  108 Ru  -3n  -83661.350      8.680     8527.225    0.080 B-   1370.370   16.469 107 910185.841      9.318
-  18   63   45  108 Rh    x  -85031.721     13.996     8532.670    0.130 B-   4492.486   14.039 107 908714.688     15.024
-  16   62   46  108 Pd       -89524.206      1.108     8567.023    0.010 B-  -1917.444    2.633 107 903891.805      1.189
-  14   61   47  108 Ag   -n  -87606.763      2.388     8542.025    0.022 B-   1645.651    2.639 107 905950.266      2.563
-  12   60   48  108 Cd       -89252.414      1.123     8550.019    0.010 B-  -5132.595    8.584 107 904183.587      1.205
-  10   59   49  108 In       -84119.819      8.641     8495.251    0.080 B-  -2049.881    9.836 107 909693.655      9.276
-   8   58   50  108 Sn       -82069.938      5.382     8469.027    0.050 B-  -9624.607    7.692 107 911894.292      5.778
-   6   57   51  108 Sb    x  -72445.331      5.496     8372.666    0.051 B-  -6663.664    7.712 107 922226.734      5.900
-   4   56   52  108 Te       -65781.667      5.411     8303.721    0.050 B- -13132.062  132.370 107 929380.471      5.808
-   2   55   53  108 I    -a  -52649.605    132.260     8174.884    1.225 B-      *              107 943478.321    141.986
-0 31   70   39  109 Y     x  -33200#       700#        8096#       6#    B-  12992#     862#    108 964358#       751#
-  29   69   40  109 Zr    x  -46193#       503#        8208#       5#    B-  10497#     566#    108 950410#       540#
-  27   68   41  109 Nb    x  -56689.794    258.490     8297.130    2.371 B-   9976.202  258.732 108 939141.000    277.500
-  25   67   42  109 Mo    x  -66665.996     11.188     8381.477    0.103 B-   7616.780   14.787 108 928431.106     12.010
-  23   66   43  109 Tc    x  -74282.775      9.669     8444.178    0.089 B-   6455.626   12.657 108 920254.156     10.380
-  21   65   44  109 Ru  -4n  -80738.401      8.954     8496.227    0.082 B-   4261.054    9.822 108 913323.756      9.612
-  19   64   45  109 Rh       -84999.455      4.039     8528.142    0.037 B-   2607.021    4.187 108 908749.326      4.336
-  17   63   46  109 Pd       -87606.476      1.114     8544.882    0.010 B-   1112.950    1.402 108 905950.574      1.195
-  15   62   47  109 Ag       -88719.426      1.287     8547.915    0.012 B-   -215.105    1.780 108 904755.773      1.381
-  13   61   48  109 Cd       -88504.321      1.536     8538.764    0.014 B-  -2014.809    4.066 108 904986.698      1.649
-  11   60   49  109 In       -86489.511      3.969     8513.102    0.036 B-  -3859.327    8.887 108 907149.685      4.261
-   9   59   50  109 Sn       -82630.184      7.949     8470.518    0.073 B-  -6379.206    8.807 108 911292.843      8.533
-   7   58   51  109 Sb       -76250.977      5.265     8404.815    0.048 B-  -8535.587    6.850 108 918141.204      5.652
-   5   57   52  109 Te       -67715.390      4.382     8319.330    0.040 B- -10042.894    8.030 108 927304.534      4.704
-   3   56   53  109 I    -p  -57672.496      6.729     8220.016    0.062 B- -11502.948  300.183 108 938086.025      7.223
-   1   55   54  109 Xe   -a  -46169.548    300.108     8107.306    2.753 B-      *              108 950434.948    322.178
-0 30   70   40  110 Zr    x  -42886#       596#        8177#       5#    B-   9424#    1029#    109 953960#       640#
-  28   69   41  110 Nb    x  -52309.909    838.345     8255.260    7.621 B-  12232.677  838.694 109 943843.000    900.000
-  26   68   42  110 Mo    x  -64542.585     24.223     8359.354    0.220 B-   6491.925   26.018 109 930710.680     26.004
-  24   67   43  110 Tc    x  -71034.510      9.497     8411.259    0.086 B-   9038.066   12.509 109 923741.312     10.195
-  22   66   44  110 Ru       -80072.576      8.924     8486.311    0.081 B-   2756.110   19.404 109 914038.548      9.580
-  20   65   45  110 Rh       -82828.686     17.805     8504.254    0.162 B-   5502.218   17.797 109 911079.742     19.114
-  18   64   46  110 Pd       -88330.905      0.612     8547.162    0.006 B-   -873.603    1.378 109 905172.868      0.657
-  16   63   47  110 Ag       -87457.302      1.286     8532.108    0.012 B-   2890.667    1.277 109 906110.719      1.380
-  14   62   48  110 Cd       -90347.969      0.380     8551.275    0.003 B-  -3878.000   11.547 109 903007.460      0.407
-  12   61   49  110 In    -  -86469.969     11.553     8508.908    0.105 B-   -627.985   17.980 109 907170.665     12.402
-  10   60   50  110 Sn    x  -85841.983     13.777     8496.087    0.125 B-  -8392.250   15.012 109 907844.835     14.790
-   8   59   51  110 Sb    x  -77449.734      5.962     8412.681    0.054 B-  -5219.923    8.875 109 916854.286      6.400
-   6   58   52  110 Te       -72229.811      6.575     8358.115    0.060 B- -11765.635   50.978 109 922458.104      7.058
-   4   57   53  110 I    -a  -60464.176     50.552     8244.043    0.460 B-  -8541.551  112.934 109 935089.033     54.270
-   2   56   54  110 Xe   -a  -51922.625    100.988     8159.280    0.918 B-      *              109 944258.765    108.415
-0 31   71   40  111 Zr    x  -37560#       700#        8128#       6#    B-  11316#     760#    110 959678#       751#
-  29   70   41  111 Nb    x  -48875#       298#        8223#       3#    B-  11064#     298#    110 947530#       320#
-  27   69   42  111 Mo    +  -59939.761     12.578     8315.292    0.113 B-   9084.861    6.800 110 935652.016     13.502
-  25   68   43  111 Tc    x  -69024.622     10.581     8390.089    0.095 B-   7760.649   13.848 110 925899.016     11.359
-  23   67   44  111 Ru    x  -76785.271      9.682     8452.957    0.087 B-   5519.181   11.860 110 917567.616     10.394
-  21   66   45  111 Rh       -82304.452      6.850     8495.631    0.062 B-   3681.435    6.887 110 911642.531      7.354
-  19   65   46  111 Pd   -n  -85985.888      0.731     8521.749    0.007 B-   2229.560    1.572 110 907690.347      0.785
-  17   64   47  111 Ag    +  -88215.447      1.459     8534.787    0.013 B-   1036.800    1.414 110 905296.816      1.565
-  15   63   48  111 Cd       -89252.247      0.357     8537.079    0.003 B-   -860.204    3.417 110 904183.766      0.383
-  13   62   49  111 In       -88392.043      3.424     8522.282    0.031 B-  -2453.456    6.337 110 905107.233      3.675
-  11   61   50  111 Sn   +n  -85938.587      5.336     8493.130    0.048 B-  -5101.851   10.334 110 907741.126      5.728
-   9   60   51  111 Sb    x  -80836.736      8.849     8440.120    0.080 B-  -7249.259   10.937 110 913218.189      9.500
-   7   59   52  111 Te    x  -73587.477      6.427     8367.763    0.058 B-  -8633.692    7.994 110 921000.589      6.900
-   5   58   53  111 I        -64953.785      4.754     8282.934    0.043 B- -10558.252   86.830 110 930269.239      5.103
-   3   57   54  111 Xe   -a  -54395.534     86.700     8180.766    0.781 B- -11575#     214#    110 941603.989     93.076
-   1   56   55  111 Cs    x  -42821#       196#        8069#       2#    B-      *              110 954030#       210#
-0 32   72   40  112 Zr    x  -33810#       700#        8094#       6#    B-  10463#     760#    111 963703#       751#
-  30   71   41  112 Nb    x  -44274#       298#        8180#       3#    B-  13190#     357#    111 952470#       320#
-  28   70   42  112 Mo    x  -57464#       196#        8291#       2#    B-   7795#     196#    111 938310#       210#
-  26   69   43  112 Tc    x  -65258.938      5.515     8353.621    0.049 B-  10371.881   11.060 111 929941.644      5.920
-  24   68   44  112 Ru    x  -75630.818      9.599     8439.242    0.086 B-   4100.685   45.118 111 918806.972     10.305
-  22   67   45  112 Rh       -79731.503     44.085     8468.870    0.394 B-   6590.059   43.927 111 914404.705     47.327
-  20   66   46  112 Pd       -86321.562      6.544     8520.724    0.058 B-    262.156    6.978 111 907329.986      7.025
-  18   65   47  112 Ag    x  -86583.718      2.422     8516.080    0.022 B-   3991.141    2.435 111 907048.550      2.600
-  16   64   48  112 Cd       -90574.859      0.250     8544.730    0.002 B-  -2584.728    4.243 111 902763.883      0.268
-  14   63   49  112 In       -87990.131      4.251     8514.667    0.038 B-    664.925    4.243 111 905538.704      4.563
-  12   62   50  112 Sn       -88655.056      0.294     8513.618    0.003 B-  -7056.091   17.832 111 904824.877      0.315
-  10   61   51  112 Sb    x  -81598.965     17.829     8443.632    0.159 B-  -4031.457   19.702 111 912399.903     19.140
-   8   60   52  112 Te    x  -77567.508      8.383     8400.652    0.075 B- -10504.178   13.239 111 916727.850      9.000
-   6   59   53  112 I     x  -67063.330     10.246     8299.879    0.091 B-  -7036.991   13.175 111 928004.550     11.000
-   4   58   54  112 Xe   -a  -60026.338      8.283     8230.064    0.074 B- -13736.062   87.190 111 935559.071      8.891
-   2   57   55  112 Cs   -p  -46290.277     86.796     8100.435    0.775 B-      *              111 950305.341     93.178
-0 31   72   41  113 Nb    x  -40511#       401#        8146#       4#    B-  11979#     500#    112 956510#       430#
-  29   71   42  113 Mo    x  -52490#       300#        8245#       3#    B-  10322#     300#    112 943650#       322#
-  27   70   43  113 Tc    x  -62811.541      3.353     8329.464    0.030 B-   9056.578   37.028 112 932569.033      3.600
-  25   69   44  113 Ru       -71868.119     36.875     8402.688    0.326 B-   6899.417   37.558 112 922846.396     39.587
-  23   68   45  113 Rh    x  -78767.536      7.130     8456.821    0.063 B-   4823.555    9.881 112 915439.567      7.653
-  21   67   46  113 Pd    x  -83591.092      6.945     8492.584    0.061 B-   3435.731   18.033 112 910261.267      7.455
-  19   66   47  113 Ag    +  -87026.822     16.643     8516.065    0.147 B-   2016.462   16.641 112 906572.858     17.866
-  17   65   48  113 Cd       -89043.284      0.244     8526.987    0.002 B-    323.833    0.265 112 904408.097      0.262
-  15   64   49  113 In       -89367.117      0.188     8522.929    0.002 B-  -1038.985    1.573 112 904060.448      0.202
-  13   63   50  113 Sn       -88328.132      1.575     8506.811    0.014 B-  -3911.164   17.121 112 905175.845      1.690
-  11   62   51  113 Sb    -  -84416.968     17.193     8465.275    0.152 B-  -6069.939   32.810 112 909374.652     18.457
-   9   61   52  113 Te    x  -78347.029     27.945     8404.636    0.247 B-  -7227.522   29.070 112 915891.000     30.000
-   7   60   53  113 I     x  -71119.507      8.011     8333.752    0.071 B-  -8915.889   10.533 112 923650.064      8.600
-   5   59   54  113 Xe       -62203.618      6.840     8247.927    0.061 B- -10439.088   10.970 112 933221.666      7.342
-   3   58   55  113 Cs   -p  -51764.530      8.577     8148.622    0.076 B- -11980#     298#    112 944428.488      9.207
-   1   57   56  113 Ba    x  -39784#       298#        8036#       3#    B-      *              112 957290#       320#
-0 32   73   41  114 Nb    x  -35387#       503#        8100#       4#    B-  14420#     585#    113 962010#       540#
-  30   72   42  114 Mo    x  -49807#       298#        8220#       3#    B-   8793#     526#    113 946530#       320#
-  28   71   43  114 Tc    x  -58600.288    433.145     8290.259    3.800 B-  11621.524  433.159 113 937090.000    465.000
-  26   70   44  114 Ru    x  -70221.811      3.550     8385.340    0.031 B-   5488.813   71.643 113 924613.780      3.811
-  24   69   45  114 Rh       -75710.625     71.561     8426.624    0.628 B-   7780.319   71.891 113 918721.296     76.824
-  22   68   46  114 Pd    x  -83490.943      6.945     8488.010    0.061 B-   1439.856    8.311 113 910368.780      7.456
-  20   67   47  114 Ag    x  -84930.800      4.564     8493.778    0.040 B-   5084.133    4.573 113 908823.031      4.900
-  18   66   48  114 Cd       -90014.932      0.276     8531.513    0.002 B-  -1445.132    0.382 113 903364.990      0.296
-  16   65   49  114 In       -88569.801      0.301     8511.973    0.003 B-   1989.923    0.302 113 904916.402      0.323
-  14   64   50  114 Sn       -90559.723      0.029     8522.566    0.000 B-  -6063.149   21.838 113 902780.132      0.031
-  12   63   51  114 Sb       -84496.574     21.838     8462.518    0.192 B-  -2608.005   35.466 113 909289.191     23.444
-  10   62   52  114 Te    x  -81888.569     27.945     8432.778    0.245 B-  -9092#     152#    113 912089.000     30.000
-   8   61   53  114 I     x  -72796#       149#        8346#       1#    B-  -5710#     149#    113 921850#       160#
-   6   60   54  114 Xe    x  -67085.890     11.178     8289.205    0.098 B- -12403.629   71.976 113 927980.331     12.000
-   4   59   55  114 Cs   -a  -54682.261     71.102     8173.538    0.624 B-  -8776.835  124.892 113 941296.175     76.331
-   2   58   56  114 Ba   -a  -45905.426    102.676     8089.686    0.901 B-      *              113 950718.495    110.227
-0 33   74   41  115 Nb    x  -31354#       503#        8065#       4#    B-  13395#     643#    114 966340#       540#
-  31   73   42  115 Mo    x  -44749#       401#        8175#       3#    B-  11571#     885#    114 951960#       430#
-  29   72   43  115 Tc    x  -56319.990    789.441     8268.527    6.865 B-   9869.744  794.386 114 939538.000    847.500
-  27   71   44  115 Ru    x  -66189.734     88.496     8347.547    0.770 B-   8040.097   88.790 114 928942.393     95.004
-  25   70   45  115 Rh    x  -74229.831      7.316     8410.658    0.064 B-   6196.554   15.350 114 920310.993      7.854
-  23   69   46  115 Pd       -80426.386     13.546     8457.738    0.118 B-   4556.268   21.649 114 913658.718     14.541
-  21   68   47  115 Ag       -84982.654     18.268     8490.555    0.159 B-   3101.825   18.274 114 908767.363     19.611
-  19   67   48  115 Cd       -88084.479      0.651     8510.724    0.006 B-   1451.867    0.651 114 905437.417      0.699
-  17   66   49  115 In       -89536.346      0.012     8516.546    0.000 B-    497.489    0.010 114 903878.773      0.012
-  15   65   50  115 Sn       -90033.835      0.015     8514.069    0.000 B-  -3030.432   16.025 114 903344.697      0.016
-  13   64   51  115 Sb    x  -87003.403     16.025     8480.915    0.139 B-  -4940.644   32.214 114 906598.000     17.203
-  11   63   52  115 Te    x  -82062.759     27.945     8431.150    0.243 B-  -5724.962   40.184 114 911902.000     30.000
-   9   62   53  115 I     x  -76337.797     28.876     8374.564    0.251 B-  -7681.049   31.313 114 918048.000     31.000
-   7   61   54  115 Xe    x  -68656.748     12.109     8300.970    0.105 B-  -8957#     103#    114 926293.945     13.000
-   5   60   55  115 Cs    x  -59699#       102#        8216#       1#    B- -10680#     225#    114 935910#       110#
-   3   59   56  115 Ba    x  -49020#       200#        8117#       2#    B-      *              114 947375#       215#
-0 32   74   42  116 Mo    x  -41500#       500#        8146#       4#    B-   9956#     582#    115 955448#       537#
-  30   73   43  116 Tc    x  -51456#       298#        8225#       3#    B-  12613#     298#    115 944760#       320#
-  28   72   44  116 Ru    x  -64068.909      3.726     8326.883    0.032 B-   6667.213   73.926 115 931219.193      4.000
-  26   71   45  116 Rh       -70736.122     73.832     8377.615    0.636 B-   9095.512   74.169 115 924061.645     79.261
-  24   70   46  116 Pd    x  -79831.635      7.132     8449.280    0.061 B-   2711.019    7.842 115 914297.210      7.656
-  22   69   47  116 Ag    x  -82542.653      3.260     8465.907    0.028 B-   6169.827    3.264 115 911386.812      3.500
-  20   68   48  116 Cd       -88712.480      0.160     8512.350    0.001 B-   -462.731    0.272 115 904763.230      0.172
-  18   67   49  116 In   -n  -88249.749      0.220     8501.617    0.002 B-   3276.221    0.240 115 905259.992      0.236
-  16   66   50  116 Sn       -91525.970      0.096     8523.116    0.001 B-  -4703.820    5.160 115 901742.824      0.103
-  14   65   51  116 Sb       -86822.150      5.160     8475.821    0.044 B-  -1553.189   28.417 115 906792.583      5.539
-  12   64   52  116 Te    x  -85268.961     27.945     8455.687    0.241 B-  -7776.725  100.553 115 908460.000     30.000
-  10   63   53  116 I     +  -77492.236     96.592     8381.902    0.833 B-  -4445.512   95.707 115 916808.658    103.695
-   8   62   54  116 Xe    x  -73046.724     13.041     8336.834    0.112 B- -11004#     101#    115 921581.112     14.000
-   6   61   55  116 Cs   ea  -62043#       100#        8235#       1#    B-  -7463#     224#    115 933395#       108#
-   4   60   56  116 Ba    x  -54580#       200#        8164#       2#    B- -13935#     371#    115 941406#       215#
-   2   59   57  116 La   -a  -40645#       312#        8037#       3#    B-      *              115 956365#       335#
-0 33   75   42  117 Mo    x  -36170#       500#        8100#       4#    B-  12212#     641#    116 961170#       537#
-  31   74   43  117 Tc    x  -48382#       401#        8197#       3#    B-  11108#     590#    116 948060#       430#
-  29   73   44  117 Ru    x  -59489.865    433.145     8285.562    3.702 B-   9407.508  433.236 116 936135.000    465.000
-  27   72   45  117 Rh    x  -68897.373      8.892     8359.281    0.076 B-   7527.104   11.411 116 926035.623      9.546
-  25   71   46  117 Pd       -76424.477      7.252     8416.929    0.062 B-   5757.537   14.766 116 917954.944      7.785
-  23   70   47  117 Ag       -82182.014     13.572     8459.452    0.116 B-   4236.375   13.610 116 911773.974     14.570
-  21   69   48  117 Cd   -n  -86418.389      1.013     8488.973    0.009 B-   2524.653    4.983 116 907226.038      1.087
-  19   68   49  117 In       -88943.042      4.881     8503.865    0.042 B-   1454.709    4.857 116 904515.712      5.239
-  17   67   50  117 Sn       -90397.751      0.483     8509.611    0.004 B-  -1758.212    8.445 116 902954.017      0.518
-  15   66   51  117 Sb       -88639.539      8.437     8487.897    0.072 B-  -3544.128   13.079 116 904841.535      9.057
-  13   65   52  117 Te       -85095.411     13.456     8450.919    0.115 B-  -4659.334   28.673 116 908646.313     14.446
-  11   64   53  117 I        -80436.077     26.196     8404.409    0.224 B-  -6250.740   28.177 116 913648.314     28.123
-   9   63   54  117 Xe    x  -74185.337     10.378     8344.297    0.089 B-  -7692.245   63.267 116 920358.760     11.141
-   7   62   55  117 Cs    x  -66493.092     62.410     8271.864    0.533 B-  -9035.338  258.002 116 928616.726     67.000
-   5   61   56  117 Ba   ep  -57457.753    250.340     8187.953    2.140 B- -10987#     321#    116 938316.561    268.750
-   3   60   57  117 La   -p  -46471#       200#        8087#       2#    B-      *              116 950111#       215#
-0 34   76   42  118 Mo    x  -32630#       500#        8069#       4#    B-  11159#     641#    117 964970#       537#
-  32   75   43  118 Tc    x  -43790#       401#        8157#       3#    B-  13470#     448#    117 952990#       430#
-  30   74   44  118 Ru    x  -57260#       200#        8265#       2#    B-   7628#     202#    117 938529#       215#
-  28   73   45  118 Rh    x  -64887.460     24.235     8322.858    0.205 B-  10501.286   24.342 117 930340.443     26.017
-  26   72   46  118 Pd       -75388.746      2.491     8405.222    0.021 B-   4165.046    3.539 117 919066.847      2.673
-  24   71   47  118 Ag    x  -79553.792      2.515     8433.889    0.021 B-   7147.849   20.158 117 914595.487      2.700
-  22   70   48  118 Cd  -nn  -86701.641     20.001     8487.834    0.169 B-    526.570   21.450 117 906921.955     21.471
-  20   69   49  118 In       -87228.211      7.752     8485.667    0.066 B-   4424.643    7.740 117 906356.659      8.322
-  18   68   50  118 Sn       -91652.853      0.499     8516.533    0.004 B-  -3656.640    2.975 117 901606.609      0.536
-  16   67   51  118 Sb    -  -87996.213      3.016     8478.915    0.026 B-   -299.630   18.726 117 905532.174      3.238
-  14   66   52  118 Te  +nn  -87696.584     18.481     8469.746    0.157 B-  -6725.536   27.056 117 905853.839     19.840
-  12   65   53  118 I     x  -80971.048     19.760     8406.120    0.167 B-  -2891.991   22.320 117 913074.000     21.213
-  10   64   54  118 Xe    x  -78079.057     10.378     8374.981    0.088 B-  -9669.689   16.442 117 916178.680     11.141
-   8   63   55  118 Cs   IT  -68409.367     12.753     8286.404    0.108 B-  -6055#     196#    117 926559.519     13.690
-   6   62   56  118 Ba    x  -62354#       196#        8228#       2#    B- -12794#     358#    117 933060#       210#
-   4   61   57  118 La    x  -49560#       300#        8113#       3#    B-      *              117 946795#       322#
-0 33   76   43  119 Tc    x  -40371#       503#        8128#       4#    B-  12193#     585#    118 956660#       540#
-  31   75   44  119 Ru    x  -52564#       298#        8224#       3#    B-  10259#     298#    118 943570#       320#
-  29   74   45  119 Rh    x  -62822.794      9.315     8303.394    0.078 B-   8585.108   12.440 118 932556.952     10.000
-  27   73   46  119 Pd    x  -71407.902      8.245     8368.964    0.069 B-   7237.863   16.855 118 923340.459      8.851
-  25   72   47  119 Ag       -78645.765     14.703     8423.212    0.124 B-   5331.303   35.926 118 915570.293     15.783
-  23   71   48  119 Cd       -83977.068     37.695     8461.438    0.317 B-   3722.212   38.088 118 909846.903     40.467
-  21   70   49  119 In       -87699.281      7.307     8486.143    0.061 B-   2365.742    7.336 118 905850.944      7.844
-  19   69   50  119 Sn       -90065.022      0.725     8499.449    0.006 B-   -590.843    7.689 118 903311.216      0.778
-  17   68   51  119 Sb       -89474.180      7.701     8487.910    0.065 B-  -2293.000    2.000 118 903945.512      8.267
-  15   67   52  119 Te    -  -87181.180      7.957     8462.066    0.067 B-  -3415.650   29.055 118 906407.148      8.541
-  13   66   53  119 I     x  -83765.530     27.945     8426.789    0.235 B-  -4971.117   29.810 118 910074.000     30.000
-  11   65   54  119 Xe    x  -78794.413     10.378     8378.441    0.087 B-  -6489.361   17.379 118 915410.713     11.141
-   9   64   55  119 Cs   IT  -72305.051     13.940     8317.334    0.117 B-  -7714.965  200.754 118 922377.330     14.965
-   7   63   56  119 Ba   ep  -64590.086    200.269     8245.928    1.683 B-  -9801#     361#    118 930659.686    214.997
-   5   62   57  119 La    x  -54790#       300#        8157#       3#    B- -10849#     583#    118 941181#       322#
-   3   61   58  119 Ce    x  -43940#       500#        8059#       4#    B-      *              118 952828#       537#
-0 34   77   43  120 Tc    x  -35518#       503#        8087#       4#    B-  14494#     643#    119 961870#       540#
-  32   76   44  120 Ru    x  -50012#       401#        8201#       3#    B-   8803#     446#    119 946310#       430#
-  30   75   45  120 Rh    x  -58815#       196#        8268#       2#    B-  11466#     196#    119 936860#       210#
-  28   74   46  120 Pd       -70280.050      2.291     8357.085    0.019 B-   5371.451    5.024 119 924551.258      2.459
-  26   73   47  120 Ag    x  -75651.502      4.471     8395.327    0.037 B-   8305.853    5.820 119 918784.767      4.800
-  24   72   48  120 Cd    x  -83957.354      3.726     8458.023    0.031 B-   1771.015   40.183 119 909868.067      4.000
-  22   71   49  120 In    +  -85728.369     40.010     8466.262    0.333 B-   5370.000   40.000 119 907966.805     42.952
-  20   70   50  120 Sn       -91098.369      0.896     8504.492    0.007 B-  -2680.608    7.140 119 902201.873      0.962
-  18   69   51  120 Sb    -  -88417.761      7.196     8475.635    0.060 B-    950.226    7.811 119 905079.624      7.725
-  16   68   52  120 Te       -89367.987      3.085     8477.034    0.026 B-  -5615.000   15.000 119 904059.514      3.311
-  14   67   53  120 I     -  -83752.987     15.314     8423.722    0.128 B-  -1580.563   19.343 119 910087.465     16.440
-  12   66   54  120 Xe    x  -82172.423     11.817     8404.031    0.098 B-  -8283.785   15.461 119 911784.270     12.686
-  10   65   55  120 Cs   IT  -73888.639      9.970     8328.480    0.083 B-  -5000.000  300.000 119 920677.279     10.702
-   8   64   56  120 Ba    -  -68888.639    300.166     8280.294    2.501 B- -11319#     424#    119 926045.000    322.241
-   6   63   57  120 La    x  -57570#       300#        8179#       2#    B-  -7970#     583#    119 938196#       322#
-   4   62   58  120 Ce    x  -49600#       500#        8107#       4#    B-      *              119 946752#       537#
-0 35   78   43  121 Tc    x  -31780#       500#        8056#       4#    B-  13267#     641#    120 965883#       537#
-  33   77   44  121 Ru    x  -45047#       401#        8159#       3#    B-  11203#     738#    120 951640#       430#
-  31   76   45  121 Rh    x  -56250.128    619.444     8245.239    5.119 B-   9932.201  619.453 120 939613.000    665.000
-  29   75   46  121 Pd    x  -66182.329      3.353     8320.858    0.028 B-   8220.492   12.565 120 928950.343      3.600
-  27   74   47  121 Ag    x  -74402.821     12.109     8382.330    0.100 B-   6671.005   12.264 120 920125.282     13.000
-  25   73   48  121 Cd    x  -81073.826      1.942     8430.996    0.016 B-   4762.148   27.483 120 912963.663      2.085
-  23   72   49  121 In   +p  -85835.974     27.414     8463.887    0.227 B-   3361.291   27.408 120 907851.286     29.430
-  21   71   50  121 Sn       -89197.265      0.955     8485.201    0.008 B-    403.057    2.690 120 904242.792      1.025
-  19   70   51  121 Sb       -89600.321      2.582     8482.066    0.021 B-  -1054.819   25.767 120 903810.093      2.771
-  17   69   52  121 Te       -88545.502     25.850     8466.883    0.214 B-  -2294.053   26.047 120 904942.488     27.751
-  15   68   53  121 I        -86251.449      5.356     8441.458    0.044 B-  -3770.463   11.558 120 907405.255      5.749
-  13   67   54  121 Xe       -82480.986     10.243     8403.832    0.085 B-  -5378.654   13.979 120 911453.014     10.995
-  11   66   55  121 Cs       -77102.331     14.290     8352.914    0.118 B-  -6357.495  141.176 120 917227.238     15.340
-   9   65   56  121 Ba    -  -70744.837    141.898     8293.907    1.173 B-  -8555#     332#    120 924052.289    152.333
-   7   64   57  121 La    x  -62190#       300#        8217#       2#    B-  -9500#     500#    120 933236#       322#
-   5   63   58  121 Ce    x  -52690#       401#        8132#       3#    B- -11268#     641#    120 943435#       430#
-   3   62   59  121 Pr   -p  -41422#       500#        8032#       4#    B-      *              120 955532#       537#
-0 34   78   44  122 Ru    x  -42150#       500#        8135#       4#    B-   9930#     583#    121 954750#       537#
-  32   77   45  122 Rh    x  -52080#       300#        8210#       2#    B-  12536#     301#    121 944090#       322#
-  30   76   46  122 Pd    x  -64616.161     19.561     8305.975    0.160 B-   6489.948   42.909 121 930631.694     21.000
-  28   75   47  122 Ag    x  -71106.108     38.191     8352.758    0.313 B-   9506.265   38.260 121 923664.448     41.000
-  26   74   48  122 Cd       -80612.374      2.299     8424.266    0.019 B-   2960.368   50.110 121 913459.052      2.468
-  24   73   49  122 In    +  -83572.741     50.057     8442.118    0.410 B-   6368.592   50.000 121 910280.966     53.738
-  22   72   50  122 Sn       -89941.333      2.395     8487.907    0.020 B-  -1605.963    3.384 121 903444.001      2.570
-  20   71   51  122 Sb       -88335.370      2.578     8468.331    0.021 B-   1979.089    2.127 121 905168.074      2.768
-  18   70   52  122 Te       -90314.460      1.507     8478.140    0.012 B-  -4234.000    5.000 121 903043.434      1.617
-  16   69   53  122 I     -  -86080.460      5.222     8437.023    0.043 B-   -725.483   12.277 121 907588.820      5.606
-  14   68   54  122 Xe    x  -85354.977     11.111     8424.664    0.091 B-  -7210.218   35.472 121 908367.658     11.928
-  12   67   55  122 Cs       -78144.759     33.687     8359.151    0.276 B-  -3535.815   43.769 121 916108.145     36.164
-  10   66   56  122 Ba    x  -74608.944     27.945     8323.756    0.229 B- -10066#     299#    121 919904.000     30.000
-   8   65   57  122 La    x  -64543#       298#        8235#       2#    B-  -6669#     499#    121 930710#       320#
-   6   64   58  122 Ce    x  -57874#       401#        8174#       3#    B- -13094#     641#    121 937870#       430#
-   4   63   59  122 Pr    x  -44780#       500#        8060#       4#    B-      *              121 951927#       537#
-0 35   79   44  123 Ru    x  -37080#       500#        8093#       4#    B-  12280#     640#    122 960193#       537#
-  33   78   45  123 Rh    x  -49360#       400#        8186#       3#    B-  11070#     885#    122 947010#       429#
-  31   77   46  123 Pd    x  -60429.742    789.441     8270.031    6.418 B-   9118.336  790.039 122 935126.000    847.500
-  29   76   47  123 Ag    x  -69548.078     30.739     8337.803    0.250 B-   7866.103   30.857 122 925337.062     33.000
-  27   75   48  123 Cd       -77414.181      2.696     8395.395    0.022 B-   6016.172   19.893 122 916892.453      2.894
-  25   74   49  123 In       -83430.353     19.827     8437.946    0.161 B-   4385.828   19.839 122 910433.826     21.285
-  23   73   50  123 Sn       -87816.181      2.416     8467.243    0.020 B-   1407.888    2.662 122 905725.446      2.594
-  21   72   51  123 Sb       -89224.069      1.506     8472.328    0.012 B-    -51.913    0.066 122 904214.016      1.616
-  19   71   52  123 Te       -89172.156      1.505     8465.546    0.012 B-  -1228.429    3.445 122 904269.747      1.615
-  17   70   53  123 I        -87943.727      3.740     8449.198    0.030 B-  -2695.027    9.690 122 905588.520      4.014
-  15   69   54  123 Xe       -85248.701      9.537     8420.927    0.078 B-  -4205.055   15.414 122 908481.750     10.238
-  13   68   55  123 Cs    x  -81043.646     12.109     8380.379    0.098 B-  -5388.693   17.125 122 912996.062     13.000
-  11   67   56  123 Ba    x  -75654.953     12.109     8330.208    0.098 B-  -7004#     196#    122 918781.062     13.000
-   9   66   57  123 La    x  -68651#       196#        8267#       2#    B-  -8365#     357#    122 926300#       210#
-   7   65   58  123 Ce    x  -60286#       298#        8193#       2#    B- -10056#     499#    122 935280#       320#
-   5   64   59  123 Pr    x  -50230#       400#        8104#       3#    B-      *              122 946076#       429#
-0 36   80   44  124 Ru    x  -33960#       600#        8068#       5#    B-  10929#     721#    123 963542#       644#
-  34   79   45  124 Rh    x  -44890#       400#        8149#       3#    B-  13500#     499#    123 951809#       429#
-  32   78   46  124 Pd    x  -58390#       298#        8252#       2#    B-   7810#     390#    123 937316#       320#
-  30   77   47  124 Ag    x  -66200.134    251.503     8308.655    2.028 B-  10501.538  251.521 123 928931.229    270.000
-  28   76   48  124 Cd       -76701.672      2.995     8387.035    0.024 B-   4168.529   30.539 123 917657.363      3.215
-  26   75   49  124 In       -80870.201     30.572     8414.343    0.247 B-   7363.992   30.576 123 913182.263     32.820
-  24   74   50  124 Sn       -88234.193      1.014     8467.421    0.008 B-   -613.944    1.513 123 905276.692      1.088
-  22   73   51  124 Sb   -n  -87620.248      1.507     8456.160    0.012 B-   2905.073    0.132 123 905935.789      1.618
-  20   72   52  124 Te       -90525.321      1.502     8473.279    0.012 B-  -3159.587    1.859 123 902817.064      1.612
-  18   71   53  124 I     -  -87365.734      2.390     8441.489    0.019 B-    295.686    2.846 123 906209.021      2.566
-  16   70   54  124 Xe       -87661.421      1.793     8437.565    0.014 B-  -5930.086    8.495 123 905891.588      1.924
-  14   69   55  124 Cs    x  -81731.334      8.304     8383.432    0.067 B-  -2641.559   15.004 123 912257.798      8.914
-  12   68   56  124 Ba    x  -79089.775     12.497     8355.820    0.101 B-  -8831.165   58.030 123 915093.629     13.416
-  10   67   57  124 La    x  -70258.610     56.669     8278.292    0.457 B-  -5343#     303#    123 924574.275     60.836
-   8   66   58  124 Ce    x  -64916#       298#        8229#       2#    B- -11765#     499#    123 930310#       320#
-   6   65   59  124 Pr    x  -53151#       401#        8128#       3#    B-  -8626#     643#    123 942940#       430#
-   4   64   60  124 Nd    x  -44525#       503#        8052#       4#    B-      *              123 952200#       540#
-0 35   80   45  125 Rh    x  -42000#       500#        8126#       4#    B-  12120#     640#    124 954911#       537#
-  33   79   46  125 Pd    x  -54120#       400#        8216#       3#    B-  10400#     589#    124 941900#       429#
-  31   78   47  125 Ag    x  -64519.932    433.145     8293.314    3.465 B-   8828.163  433.154 124 930735.000    465.000
-  29   77   48  125 Cd       -73348.095      2.885     8357.681    0.023 B-   7128.710   27.119 124 921257.577      3.097
-  27   76   49  125 In       -80476.805     27.023     8408.452    0.216 B-   5419.571   27.011 124 913604.591     29.010
-  25   75   50  125 Sn       -85896.376      1.033     8445.550    0.008 B-   2359.899    2.610 124 907786.442      1.109
-  23   74   51  125 Sb    +  -88256.274      2.599     8458.170    0.021 B-    766.700    2.121 124 905252.987      2.790
-  21   73   52  125 Te       -89022.974      1.502     8458.045    0.012 B-   -185.770    0.060 124 904429.900      1.612
-  19   72   53  125 I     -  -88837.204      1.504     8450.300    0.012 B-  -1643.824    2.192 124 904629.333      1.614
-  17   71   54  125 Xe       -87193.381      1.836     8430.890    0.015 B-  -3105.430    7.831 124 906394.050      1.971
-  15   70   55  125 Cs       -84087.950      7.744     8399.788    0.062 B-  -4418.985   13.446 124 909727.867      8.313
-  13   69   56  125 Ba       -79668.965     10.992     8358.178    0.088 B-  -5909.481   27.631 124 914471.843     11.800
-  11   68   57  125 La       -73759.484     25.997     8304.643    0.208 B-  -7102#     197#    124 920815.932     27.909
-   9   67   58  125 Ce    x  -66658#       196#        8242#       2#    B-  -8718#     358#    124 928440#       210#
-   7   66   59  125 Pr    x  -57940#       300#        8166#       2#    B- -10341#     500#    124 937799#       322#
-   5   65   60  125 Nd    x  -47599#       401#        8077#       3#    B-      *              124 948900#       430#
-0 36   81   45  126 Rh    x  -37300#       500#        8088#       4#    B-  14560#     640#    125 959957#       537#
-  34   80   46  126 Pd    x  -51860#       400#        8197#       3#    B-   8820#     447#    125 944326#       429#
-  32   79   47  126 Ag    x  -60680#       200#        8261#       2#    B-  11576#     200#    125 934857#       215#
-  30   78   48  126 Cd       -72256.802      2.476     8346.747    0.020 B-   5516.106   26.908 125 922429.127      2.658
-  28   77   49  126 In       -77772.908     26.921     8384.317    0.214 B-   8242.332   27.078 125 916507.344     28.901
-  26   76   50  126 Sn       -86015.240     10.447     8443.523    0.083 B-    378.000   30.000 125 907658.836     11.215
-  24   75   51  126 Sb    -  -86393.240     31.767     8440.314    0.252 B-   3672.108   31.787 125 907253.036     34.103
-  22   74   52  126 Te       -90065.348      1.504     8463.248    0.012 B-  -2154.031    3.677 125 903310.866      1.614
-  20   73   53  126 I        -87911.318      3.809     8439.944    0.030 B-   1235.644    5.173 125 905623.313      4.089
-  18   72   54  126 Xe       -89146.962      3.500     8443.541    0.028 B-  -4796.133   10.671 125 904296.794      3.757
-  16   71   55  126 Cs       -84350.829     10.401     8399.268    0.083 B-  -1680.927   16.259 125 909445.655     11.166
-  14   70   56  126 Ba    x  -82669.902     12.497     8379.718    0.099 B-  -7696.435   91.366 125 911250.204     13.416
-  12   69   57  126 La    x  -74973.468     90.508     8312.426    0.718 B-  -4152.910   94.723 125 919512.667     97.163
-  10   68   58  126 Ce    x  -70820.558     27.945     8273.257    0.222 B- -10497#     198#    125 923971.000     30.000
-   8   67   59  126 Pr    x  -60324#       196#        8184#       2#    B-  -7331#     357#    125 935240#       210#
-   6   66   60  126 Nd    x  -52993#       298#        8119#       2#    B- -13643#     582#    125 943110#       320#
-   4   65   61  126 Pm    x  -39350#       500#        8005#       4#    B-      *              125 957756#       537#
-0 37   82   45  127 Rh    x  -34030#       600#        8062#       5#    B-  13150#     781#    126 963467#       644#
-  35   81   46  127 Pd    x  -47180#       500#        8159#       4#    B-  11260#     539#    126 949350#       537#
-  33   80   47  127 Ag    x  -58440#       200#        8242#       2#    B-  10307#     201#    126 937262#       215#
-  31   79   48  127 Cd    x  -68747.402     12.109     8316.945    0.095 B-   8148.782   24.378 126 926196.624     13.000
-  29   78   49  127 In       -76896.184     21.157     8374.949    0.167 B-   6574.619   19.098 126 917448.546     22.713
-  27   77   50  127 Sn       -83470.803     10.057     8420.557    0.079 B-   3228.674   10.875 126 910390.401     10.796
-  25   76   51  127 Sb       -86699.477      5.126     8439.820    0.040 B-   1582.201    4.913 126 906924.277      5.502
-  23   75   52  127 Te       -88281.678      1.514     8446.118    0.012 B-    702.231    3.575 126 905225.714      1.625
-  21   74   53  127 I        -88983.909      3.647     8445.487    0.029 B-   -662.349    2.044 126 904471.838      3.915
-  19   73   54  127 Xe       -88321.560      4.110     8434.111    0.032 B-  -2081.406    6.421 126 905182.899      4.412
-  17   72   55  127 Cs       -86240.154      5.578     8411.562    0.044 B-  -3422.210   12.653 126 907417.381      5.988
-  15   71   56  127 Ba       -82817.944     11.357     8378.455    0.089 B-  -4921.836   27.740 126 911091.275     12.192
-  13   70   57  127 La       -77896.108     26.000     8333.540    0.205 B-  -5916.772   38.857 126 916375.084     27.912
-  11   69   58  127 Ce    x  -71979.336     28.876     8280.791    0.227 B-  -7436#     198#    126 922727.000     31.000
-   9   68   59  127 Pr    x  -64543#       196#        8216#       2#    B-  -9008#     357#    126 930710#       210#
-   7   67   60  127 Nd    x  -55536#       298#        8139#       2#    B- -10749#     499#    126 940380#       320#
-   5   66   61  127 Pm    x  -44786#       401#        8048#       3#    B-      *              126 951920#       430#
-0 36   82   46  128 Pd    x  -44490#       500#        8138#       4#    B-  10130#     583#    127 952238#       537#
-  34   81   47  128 Ag    x  -54620#       300#        8211#       2#    B-  12622#     300#    127 941363#       322#
-  32   80   48  128 Cd       -67241.890      7.244     8303.264    0.057 B-   6904.051  153.554 127 927812.857      7.776
-  30   79   49  128 In       -74145.941    153.479     8351.090    1.199 B-   9216.067  153.027 127 920401.053    164.766
-  28   78   50  128 Sn       -83362.008     17.660     8416.979    0.138 B-   1268.278   13.796 127 910507.197     18.958
-  26   77   51  128 Sb   IT  -84630.286     19.119     8420.775    0.149 B-   4363.429   19.117 127 909145.645     20.525
-  24   76   52  128 Te       -88993.716      0.866     8448.752    0.007 B-  -1254.992    3.714 127 904461.311      0.929
-  22   75   53  128 I        -87738.724      3.647     8432.836    0.028 B-   2121.575    3.748 127 905808.600      3.915
-  20   74   54  128 Xe       -89860.298      1.061     8443.298    0.008 B-  -3928.717    5.380 127 903530.996      1.138
-  18   73   55  128 Cs       -85931.581      5.443     8406.493    0.043 B-   -553.084    7.525 127 907748.648      5.843
-  16   72   56  128 Ba       -85378.497      5.195     8396.060    0.041 B-  -6753.066   54.695 127 908342.408      5.577
-  14   71   57  128 La    x  -78625.431     54.448     8337.190    0.425 B-  -3091.513   61.200 127 915592.123     58.452
-  12   70   58  128 Ce    x  -75533.917     27.945     8306.925    0.218 B-  -9203.161   40.859 127 918911.000     30.000
-  10   69   59  128 Pr    x  -66330.757     29.808     8228.913    0.233 B-  -6017#     198#    127 928791.000     32.000
-   8   68   60  128 Nd    x  -60314#       196#        8176#       2#    B- -12529#     357#    127 935250#       210#
-   6   67   61  128 Pm    x  -47786#       298#        8072#       2#    B-  -9116#     582#    127 948700#       320#
-   4   66   62  128 Sm    x  -38670#       500#        7994#       4#    B-      *              127 958486#       537#
-0 37   83   46  129 Pd    x  -37610#       600#        8084#       5#    B-  14370#     721#    128 959624#       644#
-  35   82   47  129 Ag    x  -51980#       400#        8189#       3#    B-  11078#     400#    128 944197#       429#
-  33   81   48  129 Cd    x  -63058.046     16.767     8269.034    0.130 B-   9779.674   16.982 128 932304.399     18.000
-  31   80   49  129 In       -72837.720      2.693     8338.780    0.021 B-   7753.183   17.302 128 921805.486      2.891
-  29   79   50  129 Sn       -80590.903     17.277     8392.818    0.134 B-   4038.404   27.372 128 913482.102     18.547
-  27   78   51  129 Sb    +  -84629.307     21.231     8418.058    0.165 B-   2375.500   21.213 128 909146.696     22.792
-  25   77   52  129 Te       -87004.807      0.869     8430.409    0.007 B-   1502.318    3.142 128 906596.492      0.933
-  23   76   53  129 I        -88507.125      3.168     8435.990    0.025 B-    188.934    3.168 128 904983.687      3.401
-  21   75   54  129 Xe       -88696.05896    0.00537   8431.390    0.000 B-  -1196.813    4.555 128 904780.85892    0.00576
-  19   74   55  129 Cs       -87499.246      4.555     8416.047    0.035 B-  -2436.048   10.623 128 906065.690      4.889
-  17   73   56  129 Ba       -85063.198     10.577     8391.098    0.082 B-  -3738.625   21.639 128 908680.896     11.354
-  15   72   57  129 La       -81324.573     21.351     8356.052    0.166 B-  -5037.077   35.168 128 912694.475     22.920
-  13   71   58  129 Ce    x  -76287.496     27.945     8310.940    0.217 B-  -6513.938   40.859 128 918102.000     30.000
-  11   70   59  129 Pr    x  -69773.558     29.808     8254.380    0.231 B-  -7459#     204#    128 925095.000     32.000
-   9   69   60  129 Nd   ep  -62315#       202#        8190#       2#    B-  -9434#     360#    128 933102#       217#
-   7   68   61  129 Pm    x  -52881#       298#        8111#       2#    B- -10881#     582#    128 943230#       320#
-   5   67   62  129 Sm    x  -42000#       500#        8021#       4#    B-      *              128 954911#       537#
-0 36   83   47  130 Ag  -nn  -45697#       500#        8140#       4#    B-  15420#     500#    129 950942#       537#
-  34   82   48  130 Cd    x  -61117.589     22.356     8252.586    0.172 B-   8765.617   44.128 129 934387.566     24.000
-  32   81   49  130 In    +  -69883.206     38.046     8313.996    0.293 B-  10249.000   38.000 129 924977.288     40.844
-  30   80   50  130 Sn       -80132.206      1.873     8386.816    0.014 B-   2153.470   14.113 129 913974.533      2.010
-  28   79   51  130 Sb       -82285.676     14.212     8397.363    0.109 B-   5067.273   14.212 129 911662.688     15.257
-  26   78   52  130 Te       -87352.949      0.011     8430.324    0.000 B-   -416.811    3.168 129 906222.747      0.012
-  24   77   53  130 I    -n  -86936.138      3.168     8421.100    0.024 B-   2944.325    3.168 129 906670.211      3.401
-  22   76   54  130 Xe       -89880.463      0.009     8437.731    0.000 B-  -2980.720    8.357 129 903509.349      0.010
-  20   75   55  130 Cs       -86899.743      8.357     8408.784    0.064 B-    361.801    8.738 129 906709.283      8.971
-  18   74   56  130 Ba       -87261.544      2.553     8405.549    0.020 B-  -5634.178   26.071 129 906320.874      2.741
-  16   73   57  130 La    x  -81627.366     25.946     8356.191    0.200 B-  -2204.461   38.133 129 912369.413     27.854
-  14   72   58  130 Ce    x  -79422.905     27.945     8333.216    0.215 B-  -8247.448   70.085 129 914736.000     30.000
-  12   71   59  130 Pr    x  -71175.457     64.273     8263.756    0.494 B-  -4579.225   70.085 129 923590.000     69.000
-  10   70   60  130 Nd    x  -66596.232     27.945     8222.513    0.215 B- -11200#     198#    129 928506.000     30.000
-   8   69   61  130 Pm    x  -55396#       196#        8130#       2#    B-  -7890#     446#    129 940530#       210#
-   6   68   62  130 Sm    x  -47506#       401#        8064#       3#    B- -13823#     641#    129 949000#       430#
-   4   67   63  130 Eu   -p  -33683#       500#        7951#       4#    B-      *              129 963840#       537#
-0 37   84   47  131 Ag    x  -40380#       500#        8099#       4#    B-  14839#     511#    130 956650#       537#
-  35   83   48  131 Cd    x  -55218.965    102.464     8206.175    0.782 B-  12806.066  102.500 130 940720.000    110.000
-  33   82   49  131 In    x  -68025.030      2.701     8297.959    0.021 B-   9239.541    4.518 130 926972.122      2.900
-  31   81   50  131 Sn       -77264.571      3.621     8362.517    0.028 B-   4716.830    3.962 130 917053.066      3.887
-  29   80   51  131 Sb       -81981.401      2.084     8392.552    0.016 B-   3229.611    2.085 130 911989.341      2.236
-  27   79   52  131 Te   -n  -85211.012      0.061     8411.233    0.001 B-   2231.699    0.608 130 908522.211      0.065
-  25   78   53  131 I     +  -87442.710      0.605     8422.297    0.005 B-    970.848    0.605 130 906126.384      0.649
-  23   77   54  131 Xe       -88413.558      0.009     8423.736    0.000 B-   -354.772    4.974 130 905084.136      0.009
-  21   76   55  131 Cs       -88058.786      4.974     8415.056    0.038 B-  -1375.055    5.279 130 905464.999      5.340
-  19   75   56  131 Ba       -86683.731      2.569     8398.587    0.020 B-  -2914.475   28.063 130 906941.181      2.757
-  17   74   57  131 La    x  -83769.256     27.945     8370.367    0.213 B-  -4060.816   43.092 130 910070.000     30.000
-  15   73   58  131 Ce       -79708.440     32.802     8333.396    0.250 B-  -5407.784   55.446 130 914429.465     35.214
-  13   72   59  131 Pr       -74300.656     46.995     8286.143    0.359 B-  -6532.623   53.081 130 920234.960     50.451
-  11   71   60  131 Nd       -67768.033     27.517     8230.304    0.210 B-  -8108#     202#    130 927248.020     29.541
-   9   70   61  131 Pm    x  -59660#       200#        8162#       2#    B-  -9527#     448#    130 935952#       215#
-   7   69   62  131 Sm    x  -50133#       401#        8084#       3#    B- -10863#     566#    130 946180#       430#
-   5   68   63  131 Eu   -p  -39270#       401#        7995#       3#    B-      *              130 957842#       430#
-0 38   85   47  132 Ag    x  -33790#       500#        8049#       4#    B-  16473#     537#    131 963725#       537#
-  36   84   48  132 Cd    x  -50263#       196#        8168#       1#    B-  12148#     205#    131 946040#       210#
-  34   83   49  132 In    +  -62411.542     60.033     8253.715    0.455 B-  14135.000   60.000 131 932998.449     64.447
-  32   82   50  132 Sn       -76546.542      1.976     8354.872    0.015 B-   3088.729    3.161 131 917823.902      2.121
-  30   81   51  132 Sb       -79635.271      2.467     8372.344    0.019 B-   5552.915    4.271 131 914508.015      2.648
-  28   80   52  132 Te       -85188.186      3.486     8408.485    0.026 B-    515.304    3.483 131 908546.716      3.742
-  26   79   53  132 I        -85703.490      4.065     8406.462    0.031 B-   3575.472    4.065 131 907993.514      4.364
-  24   78   54  132 Xe       -89278.96179    0.00515   8427.622    0.000 B-  -2126.280    1.036 131 904155.08697    0.00553
-  22   77   55  132 Cs       -87152.681      1.036     8405.587    0.008 B-   1282.336    1.478 131 906437.743      1.112
-  20   76   56  132 Ba       -88435.017      1.054     8409.375    0.008 B-  -4711.367   36.354 131 905061.098      1.131
-  18   75   57  132 La       -83723.650     36.359     8367.756    0.275 B-  -1252.754   41.718 131 910118.959     39.032
-  16   74   58  132 Ce       -82470.896     20.442     8352.338    0.155 B-  -7243.440   35.380 131 911463.846     21.945
-  14   73   59  132 Pr    x  -75227.456     28.876     8291.537    0.219 B-  -3801.648   37.679 131 919240.000     31.000
-  12   72   60  132 Nd    x  -71425.807     24.205     8256.810    0.183 B-  -9798#     151#    131 923321.237     25.985
-  10   71   61  132 Pm    x  -61628#       149#        8177#       1#    B-  -6548#     333#    131 933840#       160#
-   8   70   62  132 Sm    x  -55079#       298#        8121#       2#    B- -12879#     499#    131 940870#       320#
-   6   69   63  132 Eu    x  -42200#       400#        8018#       3#    B-      *              131 954696#       429#
-0 37   85   48  133 Cd    x  -43920#       298#        8119#       2#    B-  13544#     357#    132 952850#       320#
-  35   84   49  133 In    x  -57464#       196#        8215#       1#    B-  13410#     196#    132 938310#       210#
-  33   83   50  133 Sn       -70873.880      1.904     8310.088    0.014 B-   8049.623    3.662 132 923913.756      2.044
-  31   82   51  133 Sb       -78923.503      3.128     8364.729    0.024 B-   4013.619    3.518 132 915272.130      3.357
-  29   81   52  133 Te       -82937.122      2.066     8389.025    0.016 B-   2921.139    6.751 132 910963.332      2.218
-  27   80   53  133 I    ++  -85858.260      6.427     8405.106    0.048 B-   1785.311    6.861 132 907827.361      6.900
-  25   79   54  133 Xe    +  -87643.571      2.400     8412.647    0.018 B-    427.360    2.400 132 905910.750      2.576
-  23   78   55  133 Cs       -88070.931      0.008     8409.978    0.000 B-   -517.319    0.992 132 905451.961      0.008
-  21   77   56  133 Ba       -87553.613      0.992     8400.206    0.007 B-  -2059.230   27.962 132 906007.325      1.065
-  19   76   57  133 La    x  -85494.383     27.945     8378.841    0.210 B-  -3076.168   32.379 132 908218.000     30.000
-  17   75   58  133 Ce    x  -82418.214     16.354     8349.829    0.123 B-  -4480.634   20.583 132 911520.402     17.557
-  15   74   59  133 Pr    x  -77937.581     12.497     8310.258    0.094 B-  -5605.208   48.222 132 916330.561     13.416
-  13   73   60  133 Nd    x  -72332.372     46.575     8262.231    0.350 B-  -6924.726   68.552 132 922348.000     50.000
-  11   72   61  133 Pm    x  -65407.646     50.301     8204.283    0.378 B-  -8177#     302#    132 929782.000     54.000
-   9   71   62  133 Sm    x  -57231#       298#        8137#       2#    B-  -9995#     422#    132 938560#       320#
-   7   70   63  133 Eu    x  -47236#       298#        8056#       2#    B- -11376#     582#    132 949290#       320#
-   5   69   64  133 Gd    x  -35860#       500#        7964#       4#    B-      *              132 961503#       537#
-0 38   86   48  134 Cd    x  -38920#       400#        8082#       3#    B-  12741#     499#    133 958218#       429#
-  36   85   49  134 In    x  -51661#       298#        8171#       2#    B-  14773#     298#    133 944540#       320#
-  34   84   50  134 Sn    x  -66433.748      3.167     8275.171    0.024 B-   7586.794    3.597 133 928680.433      3.400
-  32   83   51  134 Sb    x  -74020.542      1.705     8325.950    0.013 B-   8513.200    3.233 133 920535.675      1.830
-  30   82   52  134 Te       -82533.741      2.746     8383.643    0.020 B-   1509.687    4.933 133 911396.379      2.948
-  28   81   53  134 I        -84043.429      4.857     8389.071    0.036 B-   4082.393    4.857 133 909775.663      5.213
-  26   80   54  134 Xe       -88125.822      0.009     8413.699    0.000 B-  -1234.667    0.018 133 905393.033      0.010
-  24   79   55  134 Cs       -86891.154      0.016     8398.646    0.000 B-   2058.699    0.304 133 906718.503      0.017
-  22   78   56  134 Ba       -88949.853      0.304     8408.171    0.002 B-  -3731.204   19.932 133 904508.399      0.326
-  20   77   57  134 La    x  -85218.650     19.930     8374.488    0.149 B-   -385.760   28.510 133 908514.011     21.395
-  18   76   58  134 Ce    x  -84832.889     20.387     8365.771    0.152 B-  -6304.898   28.781 133 908928.142     21.886
-  16   75   59  134 Pr    x  -78527.991     20.316     8312.881    0.152 B-  -2881.559   23.503 133 915696.729     21.810
-  14   74   60  134 Nd    x  -75646.432     11.817     8285.538    0.088 B-  -8907.681   58.949 133 918790.210     12.686
-  12   73   61  134 Pm    x  -66738.751     57.753     8213.225    0.431 B-  -5363#     204#    133 928353.000     62.000
-  10   72   62  134 Sm    x  -61376#       196#        8167#       1#    B- -11448#     357#    133 934110#       210#
-   8   71   63  134 Eu    x  -49928#       298#        8076#       2#    B-  -8626#     499#    133 946400#       320#
-   6   70   64  134 Gd    x  -41302#       401#        8006#       3#    B-      *              133 955660#       430#
-0 37   86   49  135 In    x  -46528#       401#        8132#       3#    B-  14104#     401#    134 950050#       430#
-  35   85   50  135 Sn    x  -60632.244      3.074     8230.687    0.023 B-   9058.079    4.052 134 934908.605      3.300
-  33   84   51  135 Sb       -69690.323      2.640     8291.989    0.020 B-   8038.457    3.152 134 925184.357      2.834
-  31   83   52  135 Te       -77728.780      1.722     8345.738    0.013 B-   6050.366    2.686 134 916554.718      1.848
-  29   82   53  135 I        -83779.145      2.061     8384.760    0.015 B-   2634.005    3.868 134 910059.382      2.212
-  27   81   54  135 Xe       -86413.151      3.720     8398.476    0.028 B-   1168.492    3.675 134 907231.661      3.993
-  25   80   55  135 Cs       -87581.643      0.992     8401.336    0.007 B-    268.855    1.038 134 905977.234      1.064
-  23   79   56  135 Ba       -87850.498      0.306     8397.533    0.002 B-  -1207.181    9.430 134 905688.606      0.328
-  21   78   57  135 La       -86643.317      9.434     8382.795    0.070 B-  -2027.146    4.610 134 906984.568     10.127
-  19   77   58  135 Ce       -84616.171     10.267     8361.984    0.076 B-  -3680.310   15.655 134 909160.799     11.022
-  17   76   59  135 Pr    x  -80935.861     11.817     8328.928    0.088 B-  -4722.252   22.484 134 913111.774     12.686
-  15   75   60  135 Nd    x  -76213.609     19.128     8288.153    0.142 B-  -6161.534   77.838 134 918181.320     20.534
-  13   74   61  135 Pm    x  -70052.075     75.451     8236.717    0.559 B-  -7194.860  172.054 134 924796.000     81.000
-  11   73   62  135 Sm    x  -62857.215    154.628     8177.626    1.145 B-  -8709#     249#    134 932520.000    166.000
-   9   72   63  135 Eu    x  -54148#       196#        8107#       1#    B-  -9757#     445#    134 941870#       210#
-   7   71   64  135 Gd    x  -44390#       400#        8029#       3#    B- -11565#     566#    134 952345#       429#
-   5   70   65  135 Tb   -p  -32825#       401#        7938#       3#    B-      *              134 964760#       430#
-0 38   87   49  136 In    x  -40510#       400#        8087#       3#    B-  15389#     499#    135 956511#       429#
-  36   86   50  136 Sn    x  -55899#       298#        8195#       2#    B-   8608#     298#    135 939990#       320#
-  34   85   51  136 Sb       -64506.880      5.830     8252.252    0.043 B-   9918.389    6.260 135 930749.011      6.258
-  32   84   52  136 Te       -74425.269      2.281     8319.429    0.017 B-   5119.945   14.188 135 920101.182      2.448
-  30   83   53  136 I        -79545.214     14.188     8351.323    0.104 B-   6883.945   14.188 135 914604.695     15.231
-  28   82   54  136 Xe       -86429.159      0.007     8396.188    0.000 B-    -90.462    1.882 135 907214.476      0.007
-  26   81   55  136 Cs    +  -86338.697      1.882     8389.770    0.014 B-   2548.224    1.857 135 907311.590      2.020
-  24   80   56  136 Ba       -88886.921      0.306     8402.755    0.002 B-  -2849.443   53.172 135 904575.959      0.328
-  22   79   57  136 La    x  -86037.479     53.171     8376.050    0.391 B-    470.893   53.173 135 907634.962     57.081
-  20   78   58  136 Ce       -86508.372      0.408     8373.760    0.003 B-  -5168.017   11.457 135 907129.438      0.438
-  18   77   59  136 Pr       -81340.355     11.455     8330.008    0.084 B-  -2141.068   16.458 135 912677.532     12.297
-  16   76   60  136 Nd    x  -79199.287     11.817     8308.512    0.087 B-  -8029.371   70.076 135 914976.064     12.686
-  14   75   61  136 Pm    x  -71169.915     69.073     8243.720    0.508 B-  -4359.026   70.194 135 923595.949     74.152
-  12   74   62  136 Sm    x  -66810.890     12.497     8205.916    0.092 B- -10567#     196#    135 928275.555     13.416
-  10   73   63  136 Eu    x  -56244#       196#        8122#       1#    B-  -7154#     357#    135 939620#       210#
-   8   72   64  136 Gd    x  -49090#       298#        8064#       2#    B- -12960#     582#    135 947300#       320#
-   6   71   65  136 Tb    x  -36130#       500#        7963#       4#    B-      *              135 961213#       537#
-0 39   88   49  137 In    x  -35040#       500#        8047#       4#    B-  14748#     641#    136 962383#       537#
-  37   87   50  137 Sn    x  -49788#       401#        8149#       3#    B-  10272#     404#    136 946550#       430#
-  35   86   51  137 Sb    x  -60060.384     52.164     8218.476    0.381 B-   9243.369   52.206 136 935522.522     56.000
-  33   85   52  137 Te       -69303.753      2.100     8280.235    0.015 B-   7052.506    8.643 136 925599.357      2.254
-  31   84   53  137 I  p-2n  -76356.258      8.383     8326.002    0.061 B-   6027.145    8.384 136 918028.180      9.000
-  29   83   54  137 Xe   -n  -82383.404      0.103     8364.286    0.001 B-   4162.203    0.373 136 911557.773      0.111
-  27   82   55  137 Cs    +  -86545.606      0.358     8388.956    0.003 B-   1175.629    0.172 136 907089.464      0.384
-  25   81   56  137 Ba       -87721.235      0.314     8391.827    0.002 B-   -580.547    1.632 136 905827.375      0.337
-  23   80   57  137 La    +  -87140.688      1.659     8381.879    0.012 B-  -1222.100    1.600 136 906450.618      1.780
-  21   79   58  137 Ce       -85918.588      0.437     8367.248    0.003 B-  -2716.895    8.133 136 907762.596      0.469
-  19   78   59  137 Pr       -83201.693      8.137     8341.706    0.059 B-  -3617.126   14.282 136 910679.304      8.735
-  17   77   60  137 Nd       -79584.567     11.737     8309.593    0.086 B-  -5511.719   17.545 136 914562.448     12.600
-  15   76   61  137 Pm    x  -74072.848     13.041     8263.651    0.095 B-  -6046.323   44.355 136 920479.522     14.000
-  13   75   62  137 Sm       -68026.525     42.395     8213.806    0.309 B-  -7880.630   42.620 136 926970.517     45.512
-  11   74   63  137 Eu    x  -60145.895      4.378     8150.573    0.032 B-  -8932#     298#    136 935430.722      4.700
-   9   73   64  137 Gd    x  -51214#       298#        8080#       2#    B- -10246#     499#    136 945020#       320#
-   7   72   65  137 Tb    x  -40967#       401#        7999#       3#    B-      *              136 956020#       430#
-0 38   88   50  138 Sn    x  -44861#       503#        8113#       4#    B-   9360#    1177#    137 951840#       540#
-  36   87   51  138 Sb    x  -54220.403   1064.232     8175.091    7.712 B-  11475.582 1064.239 137 941792.000   1142.500
-  34   86   52  138 Te       -65695.985      3.787     8252.578    0.027 B-   6283.914    7.063 137 929472.454      4.065
-  32   85   53  138 I     x  -71979.900      5.962     8292.444    0.043 B-   7992.334    6.588 137 922726.394      6.400
-  30   84   54  138 Xe       -79972.233      2.804     8344.690    0.020 B-   2914.704    9.579 137 914146.271      3.010
-  28   83   55  138 Cs       -82886.937      9.159     8360.142    0.066 B-   5374.700    9.159 137 911017.207      9.832
-  26   82   56  138 Ba       -88261.638      0.317     8393.420    0.002 B-  -1742.458    3.191 137 905247.229      0.339
-  24   81   57  138 La       -86519.180      3.188     8375.125    0.023 B-   1051.742    4.038 137 907117.834      3.422
-  22   80   58  138 Ce       -87570.922      4.931     8377.077    0.036 B-  -4437.000   10.000 137 905988.743      5.293
-  20   79   59  138 Pr    -  -83133.922     11.150     8339.255    0.081 B-  -1115.612   16.090 137 910752.059     11.969
-  18   78   60  138 Nd       -82018.310     11.601     8325.502    0.084 B-  -7077.827   28.756 137 911949.717     12.454
-  16   77   61  138 Pm       -74940.483     27.739     8268.544    0.201 B-  -3442.721   30.151 137 919548.077     29.778
-  14   76   62  138 Sm    x  -71497.762     11.817     8237.928    0.086 B-  -9748.093   30.341 137 923243.990     12.686
-  12   75   63  138 Eu    x  -61749.669     27.945     8161.620    0.202 B-  -5949#     198#    137 933709.000     30.000
-  10   74   64  138 Gd    x  -55800#       196#        8113#       1#    B- -12132#     357#    137 940096#       210#
-   8   73   65  138 Tb    x  -43668#       298#        8019#       2#    B-  -8737#     585#    137 953120#       320#
-   6   72   66  138 Dy    x  -34931#       503#        7950#       4#    B-      *              137 962500#       540#
-0 39   89   50  139 Sn    x  -38440#       500#        8066#       4#    B-  11348#     641#    138 958733#       537#
-  37   88   51  139 Sb    x  -49788#       401#        8142#       3#    B-  10417#     401#    138 946550#       430#
-  35   87   52  139 Te    x  -60205.072      3.540     8211.771    0.025 B-   8265.882    5.345 138 935367.193      3.800
-  33   86   53  139 I     x  -68470.954      4.005     8265.609    0.029 B-   7173.622    4.542 138 926493.403      4.300
-  31   85   54  139 Xe    x  -75644.576      2.142     8311.590    0.015 B-   5056.346    3.801 138 918792.203      2.300
-  29   84   55  139 Cs    +  -80700.921      3.140     8342.338    0.023 B-   4212.829    3.123 138 913363.992      3.370
-  27   83   56  139 Ba       -84913.751      0.319     8367.017    0.002 B-   2312.461    2.013 138 908841.334      0.342
-  25   82   57  139 La       -87226.212      2.009     8378.025    0.014 B-   -278.350    6.953 138 906358.804      2.156
-  23   81   58  139 Ce       -86947.862      7.230     8370.395    0.052 B-  -2129.064    2.996 138 906657.625      7.761
-  21   80   59  139 Pr       -84818.798      7.809     8349.449    0.056 B-  -2804.856   28.033 138 908943.270      8.383
-  19   79   60  139 Nd       -82013.942     27.600     8323.642    0.199 B-  -4513.460   25.927 138 911954.407     29.630
-  17   78   61  139 Pm       -77500.481     13.593     8285.543    0.098 B-  -5120.263   17.414 138 916799.806     14.592
-  15   77   62  139 Sm    x  -72380.219     10.884     8243.078    0.078 B-  -6982.177   17.071 138 922296.634     11.684
-  13   76   63  139 Eu    x  -65398.042     13.151     8187.218    0.095 B-  -7767#     196#    138 929792.310     14.117
-  11   75   64  139 Gd    x  -57632#       196#        8126#       1#    B-  -9501#     357#    138 938130#       210#
-   9   74   65  139 Tb    x  -48130#       298#        8052#       2#    B- -10489#     585#    138 948330#       320#
-   7   73   66  139 Dy    x  -37642#       503#        7971#       4#    B-      *              138 959590#       540#
-0 38   89   51  140 Sb    x  -43939#       596#        8100#       4#    B-  12638#     599#    139 952830#       640#
-  36   88   52  140 Te    x  -56576.228     62.410     8184.847    0.446 B-   7029.985   63.574 139 939262.917     67.000
-  34   87   53  140 I     x  -63606.213     12.109     8229.473    0.086 B-   9380.238   12.331 139 931715.917     13.000
-  32   86   54  140 Xe    x  -72986.451      2.329     8290.887    0.017 B-   4063.654    8.525 139 921645.817      2.500
-  30   85   55  140 Cs       -77050.105      8.201     8314.325    0.059 B-   6219.249    9.882 139 917283.305      8.804
-  28   84   56  140 Ba       -83269.354      7.933     8353.160    0.057 B-   1046.517    7.993 139 910606.666      8.516
-  26   83   57  140 La       -84315.871      2.009     8355.047    0.014 B-   3760.218    1.727 139 909483.184      2.156
-  24   82   58  140 Ce       -88076.089      1.596     8376.317    0.011 B-  -3388.000    6.000 139 905446.424      1.713
-  22   81   59  140 Pr    -  -84688.089      6.209     8346.529    0.044 B-   -429.177    7.101 139 909083.592      6.665
-  20   80   60  140 Nd    x  -84258.912      3.447     8337.875    0.025 B-  -6045.200   24.000 139 909544.332      3.700
-  18   79   61  140 Pm    -  -78213.712     24.246     8289.107    0.173 B-  -2757.777   27.277 139 916034.122     26.029
-  16   78   62  140 Sm    x  -75455.935     12.497     8263.820    0.089 B-  -8470.000   50.000 139 918994.717     13.416
-  14   77   63  140 Eu    -  -66985.935     51.538     8197.732    0.368 B-  -5203.664   58.627 139 928087.637     55.328
-  12   76   64  140 Gd    x  -61782.271     27.945     8154.975    0.200 B- -11300.000  800.000 139 933674.000     30.000
-  10   75   65  140 Tb    -  -50482.271    800.488     8068.672    5.718 B-  -7652#     895#    139 945805.049    859.359
-   8   74   66  140 Dy    x  -42830#       401#        8008#       3#    B- -13571#     643#    139 954020#       430#
-   6   73   67  140 Ho   -p  -29259#       503#        7906#       4#    B-      *              139 968589#       540#
-0 39   90   51  141 Sb    x  -39110#       500#        8066#       4#    B-  11377#     641#    140 958014#       537#
-  37   89   52  141 Te    x  -50487#       401#        8141#       3#    B-   9440#     401#    140 945800#       430#
-  35   88   53  141 I     x  -59926.657     15.835     8202.255    0.112 B-   8270.642   16.097 140 935666.084     17.000
-  33   87   54  141 Xe    x  -68197.299      2.888     8255.364    0.020 B-   6280.224    9.638 140 926787.184      3.100
-  31   86   55  141 Cs       -74477.523      9.195     8294.356    0.065 B-   5255.103    9.617 140 920045.086      9.871
-  29   85   56  141 Ba       -79732.626      5.319     8326.078    0.038 B-   3199.010    6.600 140 914403.500      5.710
-  27   84   57  141 La       -82931.636      4.219     8343.217    0.030 B-   2501.280    3.928 140 910969.222      4.528
-  25   83   58  141 Ce       -85432.916      1.597     8355.408    0.011 B-    582.728    1.202 140 908283.987      1.714
-  23   82   59  141 Pr       -86015.644      1.665     8353.992    0.012 B-  -1823.014    2.809 140 907658.403      1.787
-  21   81   60  141 Nd    -  -84192.630      3.265     8335.515    0.023 B-  -3669.709   14.349 140 909615.488      3.505
-  19   80   61  141 Pm    x  -80522.921     13.972     8303.940    0.099 B-  -4589.012   16.375 140 913555.084     15.000
-  17   79   62  141 Sm       -75933.909      8.539     8265.845    0.061 B-  -6008.280   14.285 140 918481.591      9.167
-  15   78   63  141 Eu       -69925.629     12.639     8217.684    0.090 B-  -6701.405   23.456 140 924931.745     13.568
-  13   77   64  141 Gd    x  -63224.224     19.760     8164.608    0.140 B-  -8683.387  107.098 140 932126.000     21.213
-  11   76   65  141 Tb    x  -54540.837    105.259     8097.475    0.747 B-  -9158#     316#    140 941448.000    113.000
-   9   75   66  141 Dy    x  -45382#       298#        8027#       2#    B- -11018#     499#    140 951280#       320#
-   7   74   67  141 Ho   -p  -34364#       401#        7943#       3#    B-      *              140 963108#       430#
-0 38   90   52  142 Te    x  -46370#       503#        8111#       4#    B-   8400#     627#    141 950220#       540#
-  36   89   53  142 I     x  -54769.984    374.461     8165.019    2.637 B-  10459.655  374.470 141 941202.000    402.000
-  34   88   54  142 Xe    x  -65229.639      2.701     8233.169    0.019 B-   5284.911    7.565 141 929973.098      2.900
-  32   87   55  142 Cs       -70514.550      7.067     8264.877    0.050 B-   7327.714    8.363 141 924299.512      7.586
-  30   86   56  142 Ba       -77842.264      5.920     8310.971    0.042 B-   2181.963    8.391 141 916432.888      6.355
-  28   85   57  142 La       -80024.227      6.309     8320.828    0.044 B-   4508.961    5.845 141 914090.454      6.773
-  26   84   58  142 Ce       -84533.188      2.509     8347.071    0.018 B-   -745.712    2.500 141 909249.884      2.693
-  24   83   59  142 Pr       -83787.476      1.665     8336.310    0.012 B-   2162.505    1.416 141 910050.440      1.786
-  22   82   60  142 Nd       -85949.980      1.368     8346.030    0.010 B-  -4807.936   23.629 141 907728.895      1.468
-  20   81   61  142 Pm       -81142.044     23.597     8306.662    0.166 B-  -2155.574   23.752 141 912890.428     25.332
-  18   80   62  142 Sm       -78986.470      3.079     8285.972    0.022 B-  -7673.000   30.000 141 915204.532      3.305
-  16   79   63  142 Eu    -  -71313.470     30.158     8226.427    0.212 B-  -4353.955   41.114 141 923441.836     32.375
-  14   78   64  142 Gd    x  -66959.515     27.945     8190.256    0.197 B- -10400.000  700.000 141 928116.000     30.000
-  12   77   65  142 Tb    -  -56559.515    700.558     8111.507    4.934 B-  -6440#     200#    141 939280.859    752.079
-  10   76   66  142 Dy    -  -50120#       729#        8061#       5#    B- -12869#     831#    141 946194#       782#
-   8   75   67  142 Ho    x  -37250#       401#        7965#       3#    B-  -9221#     641#    141 960010#       430#
-   6   74   68  142 Er    x  -28030#       500#        7894#       4#    B-      *              141 969909#       537#
-0 39   91   52  143 Te    x  -40278#       503#        8068#       4#    B-  10353#     541#    142 956760#       540#
-  37   90   53  143 I     x  -50630#       200#        8135#       1#    B-   9572#     200#    142 945646#       215#
-  35   89   54  143 Xe    x  -60202.873      4.657     8196.885    0.033 B-   7472.636    8.891 142 935369.553      5.000
-  33   88   55  143 Cs       -67675.509      7.573     8243.670    0.053 B-   6261.688    9.730 142 927347.348      8.130
-  31   87   56  143 Ba       -73937.197      6.756     8281.987    0.047 B-   4234.318    9.969 142 920625.150      7.253
-  29   86   57  143 La       -78171.515      7.330     8306.127    0.051 B-   3435.156    7.595 142 916079.422      7.869
-  27   85   58  143 Ce       -81606.671      2.508     8324.678    0.018 B-   1461.575    1.866 142 912391.630      2.692
-  25   84   59  143 Pr       -83068.246      1.897     8329.428    0.013 B-    933.988    1.368 142 910822.564      2.037
-  23   83   60  143 Nd       -84002.234      1.367     8330.488    0.010 B-  -1041.583    2.682 142 909819.887      1.467
-  21   82   61  143 Pm       -82960.651      2.996     8317.733    0.021 B-  -3443.499    3.560 142 910938.073      3.216
-  19   81   62  143 Sm       -79517.152      2.804     8288.182    0.020 B-  -5275.851   11.338 142 914634.821      3.010
-  17   80   63  143 Eu    x  -74241.300     10.986     8245.817    0.077 B-  -6010.000  200.000 142 920298.681     11.793
-  15   79   64  143 Gd    -  -68231.300    200.301     8198.318    1.401 B-  -7812.117  206.750 142 926750.682    215.032
-  13   78   65  143 Tb    x  -60419.183     51.232     8138.217    0.358 B-  -8250.242   52.866 142 935137.335     55.000
-  11   77   66  143 Dy    x  -52168.941     13.041     8075.052    0.091 B- -10121#     298#    142 943994.335     14.000
-   9   76   67  143 Ho    x  -42048#       298#        7999#       2#    B- -10788#     499#    142 954860#       320#
-   7   75   68  143 Er    x  -31260#       400#        7918#       3#    B-      *              142 966441#       429#
-0 38   91   53  144 I     x  -45280#       401#        8098#       3#    B-  11592#     401#    143 951390#       430#
-  36   90   54  144 Xe    x  -56872.293      5.310     8172.884    0.037 B-   6399.060   20.820 143 938945.079      5.700
-  34   89   55  144 Cs       -63271.353     20.132     8211.889    0.140 B-   8495.768   20.416 143 932075.404     21.612
-  32   88   56  144 Ba       -71767.121      7.136     8265.454    0.050 B-   3082.530   14.774 143 922954.821      7.661
-  30   87   57  144 La    x  -74849.652     12.937     8281.428    0.090 B-   5582.219   13.254 143 919645.589     13.888
-  28   86   58  144 Ce    +  -80431.870      2.885     8314.760    0.020 B-    318.646    0.832 143 913652.830      3.096
-  26   85   59  144 Pr    +  -80750.517      2.762     8311.540    0.019 B-   2997.440    2.400 143 913310.750      2.965
-  24   84   60  144 Nd       -83747.957      1.367     8326.922    0.009 B-  -2331.863    2.646 143 910092.865      1.467
-  22   83   61  144 Pm       -81416.093      2.964     8305.296    0.021 B-    549.442    2.668 143 912596.224      3.181
-  20   82   62  144 Sm       -81965.535      1.554     8303.679    0.011 B-  -6346.402   10.814 143 912006.373      1.668
-  18   81   63  144 Eu       -75619.133     10.789     8254.173    0.075 B-  -3859.630   29.955 143 918819.517     11.582
-  16   80   64  144 Gd    x  -71759.504     27.945     8221.937    0.194 B-  -9391.323   39.520 143 922963.000     30.000
-  14   79   65  144 Tb    x  -62368.181     27.945     8151.287    0.194 B-  -5798.098   28.851 143 933045.000     30.000
-  12   78   66  144 Dy    x  -56570.083      7.173     8105.589    0.050 B- -11960.569   11.104 143 939269.514      7.700
-  10   77   67  144 Ho    x  -44609.513      8.477     8017.097    0.059 B-  -8002#     196#    143 952109.714      9.100
-   8   76   68  144 Er    x  -36608#       196#        7956#       1#    B- -14349#     445#    143 960700#       210#
-   6   75   69  144 Tm   -p  -22259#       400#        7851#       3#    B-      *              143 976104#       429#
-0 39   92   53  145 I     x  -40939#       503#        8068#       3#    B-  10554#     503#    144 956050#       540#
-  37   91   54  145 Xe    x  -51493.329     11.178     8135.087    0.077 B-   8561.086   14.393 144 944719.634     12.000
-  35   90   55  145 Cs       -60054.415      9.067     8188.733    0.063 B-   7461.761   12.412 144 935528.930      9.733
-  33   89   56  145 Ba    x  -67516.176      8.477     8234.798    0.058 B-   5319.141   14.912 144 927518.400      9.100
-  31   88   57  145 La       -72835.317     12.269     8266.087    0.085 B-   4231.705   35.300 144 921808.066     13.170
-  29   87   58  145 Ce       -77067.022     33.902     8289.875    0.234 B-   2558.918   33.635 144 917265.144     36.395
-  27   86   59  145 Pr       -79625.940      7.169     8302.127    0.049 B-   1806.012    7.037 144 914518.033      7.696
-  25   85   60  145 Nd       -81431.951      1.384     8309.187    0.010 B-   -164.478    2.536 144 912579.199      1.485
-  23   84   61  145 Pm       -81267.474      2.859     8302.657    0.020 B-   -616.156    2.539 144 912755.773      3.068
-  21   83   62  145 Sm       -80651.318      1.578     8293.013    0.011 B-  -2659.810    2.723 144 913417.244      1.694
-  19   82   63  145 Eu       -77991.507      3.106     8269.274    0.021 B-  -5065.187   19.953 144 916272.668      3.334
-  17   81   64  145 Gd       -72926.320     19.709     8228.946    0.136 B-  -6537.909  108.066 144 921710.370     21.158
-  15   80   65  145 Tb       -66388.411    109.174     8178.461    0.753 B-  -8145.812  109.369 144 928729.105    117.203
-  13   79   66  145 Dy    x  -58242.599      6.520     8116.888    0.045 B-  -9122.493    9.902 144 937473.994      7.000
-  11   78   67  145 Ho    x  -49120.105      7.452     8048.578    0.051 B-  -9880#     200#    144 947267.394      8.000
-   9   77   68  145 Er    x  -39240#       200#        7975#       1#    B- -11657#     280#    144 957874#       215#
-   7   76   69  145 Tm   -p  -27583#       196#        7889#       1#    B-      *              144 970389#       210#
-0 38   92   54  146 Xe    x  -47954.943     24.219     8110.415    0.166 B-   7355.429   24.391 145 948518.248     26.000
-  36   91   55  146 Cs    x  -55310.372      2.893     8155.436    0.020 B-   9636.714   21.063 145 940621.870      3.106
-  34   90   56  146 Ba       -64947.086     20.863     8216.082    0.143 B-   4103.197   33.503 145 930276.431     22.397
-  32   89   57  146 La       -69050.283     33.616     8238.828    0.230 B-   6585.107   34.456 145 925871.468     36.088
-  30   88   58  146 Ce       -75635.389     16.306     8278.573    0.112 B-   1045.616   32.519 145 918802.065     17.504
-  28   87   59  146 Pr       -76681.006     34.816     8280.376    0.238 B-   4244.861   34.830 145 917679.549     37.376
-  26   86   60  146 Nd       -80925.867      1.386     8304.092    0.009 B-  -1471.558    4.119 145 913122.503      1.488
-  24   85   61  146 Pm    +  -79454.309      4.308     8288.654    0.030 B-   1542.000    3.000 145 914702.286      4.624
-  22   84   62  146 Sm       -80996.309      3.092     8293.857    0.021 B-  -3878.768    5.869 145 913046.881      3.319
-  20   83   63  146 Eu       -77117.541      6.026     8261.932    0.041 B-  -1031.758    7.076 145 917210.909      6.468
-  18   82   64  146 Gd       -76085.783      4.108     8249.506    0.028 B-  -8322.173   44.749 145 918318.548      4.409
-  16   81   65  146 Tb       -67763.610     44.862     8187.146    0.307 B-  -5208.691   45.160 145 927252.768     48.161
-  14   80   66  146 Dy       -62554.918      6.695     8146.112    0.046 B- -11316.699    9.392 145 932844.529      7.187
-  12   79   67  146 Ho       -51238.219      6.587     8063.242    0.045 B-  -6916.206    9.399 145 944993.506      7.071
-  10   78   68  146 Er       -44322.012      6.705     8010.512    0.046 B- -13267#     200#    145 952418.359      7.197
-   8   77   69  146 Tm   -p  -31055#       200#        7914#       1#    B-      *              145 966661#       215#
-0 39   93   54  147 Xe    x  -42360#       200#        8072#       1#    B-   9560#     200#    146 954525#       215#
-  37   92   55  147 Cs    x  -51920.064      8.383     8131.800    0.057 B-   8343.965   21.454 146 944261.515      9.000
-  35   91   56  147 Ba    x  -60264.029     19.748     8183.240    0.134 B-   6414.361   22.466 146 935303.900     21.200
-  33   90   57  147 La    x  -66678.390     10.712     8221.553    0.073 B-   5335.501   13.725 146 928417.800     11.500
-  31   89   58  147 Ce       -72013.891      8.580     8252.527    0.058 B-   3430.176   15.533 146 922689.903      9.211
-  29   88   59  147 Pr       -75444.067     15.857     8270.539    0.108 B-   2702.681   15.860 146 919007.458     17.023
-  27   87   60  147 Nd       -78146.748      1.388     8283.603    0.009 B-    895.512    0.482 146 916106.010      1.490
-  25   86   61  147 Pm       -79042.260      1.399     8284.372    0.010 B-    224.094    0.293 146 915144.638      1.501
-  23   85   62  147 Sm       -79266.354      1.372     8280.575    0.009 B-  -1721.598    2.281 146 914904.064      1.473
-  21   84   63  147 Eu       -77544.756      2.630     8263.541    0.018 B-  -2187.811    2.524 146 916752.276      2.823
-  19   83   64  147 Gd       -75356.945      1.965     8243.336    0.013 B-  -4614.280    8.147 146 919100.987      2.109
-  17   82   65  147 Tb       -70742.665      8.100     8206.624    0.055 B-  -6546.628   11.997 146 924054.620      8.695
-  15   81   66  147 Dy    x  -64196.038      8.849     8156.767    0.060 B-  -8438.945   10.164 146 931082.715      9.500
-  13   80   67  147 Ho       -55757.092      5.001     8094.037    0.034 B-  -9149.286   38.517 146 940142.295      5.368
-  11   79   68  147 Er    x  -46607.807     38.191     8026.475    0.260 B- -10633.406   38.799 146 949964.458     41.000
-   9   78   69  147 Tm       -35974.400      6.839     7948.817    0.047 B-      *              146 961379.890      7.341
-0 40   94   54  148 Xe    x  -38600#       300#        8047#       2#    B-   8311#     300#    147 958561#       322#
-  38   93   55  148 Cs    x  -46910.942     13.041     8097.546    0.088 B-  10682.793   64.413 147 949639.029     14.000
-  36   92   56  148 Ba    +  -57593.735     63.079     8164.441    0.426 B-   5115.000   60.000 147 938170.578     67.718
-  34   91   57  148 La    x  -62708.735     19.468     8193.716    0.132 B-   7689.672   22.457 147 932679.400     20.900
-  32   90   58  148 Ce       -70398.408     11.195     8240.387    0.076 B-   2137.016   12.567 147 924424.196     12.018
-  30   89   59  148 Pr       -72535.424     15.043     8249.540    0.102 B-   4872.572   15.090 147 922130.015     16.148
-  28   88   60  148 Nd       -77407.996      2.127     8277.177    0.014 B-   -542.280    5.874 147 916899.093      2.283
-  26   87   61  148 Pm   +p  -76865.716      5.723     8268.226    0.039 B-   2470.548    5.642 147 917481.255      6.143
-  24   86   62  148 Sm       -79336.264      1.367     8279.633    0.009 B-  -3036.933   10.019 147 914829.012      1.467
-  22   85   63  148 Eu       -76299.331     10.013     8253.827    0.068 B-    -30.003   10.019 147 918089.294     10.748
-  20   84   64  148 Gd       -76269.329      1.554     8248.338    0.011 B-  -5732.246   12.529 147 918121.503      1.668
-  18   83   65  148 Tb       -70537.082     12.464     8204.321    0.084 B-  -2677.532    9.596 147 924275.323     13.380
-  16   82   66  148 Dy       -67859.550      8.724     8180.943    0.059 B-  -9868.393   84.287 147 927149.772      9.366
-  14   81   67  148 Ho    x  -57991.158     83.834     8108.979    0.566 B-  -6512.169   84.458 147 937743.928     90.000
-  12   80   68  148 Er    x  -51478.989     10.246     8059.692    0.069 B- -12713.962   14.491 147 944735.029     11.000
-  10   79   69  148 Tm    x  -38765.027     10.246     7968.500    0.069 B-  -8435#     400#    147 958384.029     11.000
-   8   78   70  148 Yb    x  -30330#       400#        7906#       3#    B-      *              147 967439#       429#
-0 39   94   55  149 Cs    x  -43250#       400#        8073#       3#    B-   9870#     593#    148 953569#       429#
-  37   93   56  149 Ba    x  -53120.309    437.802     8133.793    2.938 B-   7099.605  481.431 148 942973.000    470.000
-  35   92   57  149 La    +  -60219.913    200.262     8176.191    1.344 B-   6450.000  200.000 148 935351.260    214.990
-  33   91   58  149 Ce    x  -66669.913     10.246     8214.229    0.069 B-   4369.452   14.230 148 928426.900     11.000
-  31   90   59  149 Pr    x  -71039.366      9.874     8238.303    0.066 B-   3336.100   10.101 148 923736.100     10.600
-  29   89   60  149 Nd   -n  -74375.466      2.128     8255.442    0.014 B-   1688.790    2.455 148 920154.648      2.284
-  27   88   61  149 Pm       -76064.256      2.267     8261.526    0.015 B-   1071.481    1.875 148 918341.658      2.434
-  25   87   62  149 Sm       -77135.737      1.311     8263.466    0.009 B-   -694.625    3.788 148 917191.375      1.407
-  23   86   63  149 Eu       -76441.112      3.951     8253.554    0.027 B-  -1314.101    4.136 148 917937.086      4.241
-  21   85   64  149 Gd       -75127.011      3.360     8239.484    0.023 B-  -3638.343    4.339 148 919347.831      3.607
-  19   84   65  149 Tb       -71488.669      3.667     8209.815    0.025 B-  -3792.760    9.162 148 923253.753      3.936
-  17   83   66  149 Dy       -67695.909      9.221     8179.109    0.062 B-  -6049.330   12.803 148 927325.448      9.898
-  15   82   67  149 Ho       -61646.578     11.990     8133.259    0.080 B-  -7904.963   30.408 148 933819.672     12.871
-  13   81   68  149 Er    x  -53741.615     27.945     8074.955    0.188 B-  -9859#     198#    148 942306.000     30.000
-  11   80   69  149 Tm    x  -43883#       196#        8004#       1#    B- -10684#     358#    148 952890#       210#
-   9   79   70  149 Yb    x  -33198#       300#        7927#       2#    B-      *              148 964360#       322#
-0 40   95   55  150 Cs    x  -38170#       400#        8039#       3#    B-  11730#     500#    149 959023#       429#
-  38   94   56  150 Ba    x  -49900#       300#        8112#       2#    B-   6230#     529#    149 946430#       322#
-  36   93   57  150 La    x  -56129.966    435.473     8148.225    2.903 B-   8716.888  435.631 149 939742.000    467.500
-  34   92   58  150 Ce       -64846.854     11.697     8201.122    0.078 B-   3453.625   14.291 149 930384.035     12.556
-  32   91   59  150 Pr       -68300.479      9.015     8218.931    0.060 B-   5379.276    9.085 149 926676.415      9.678
-  30   90   60  150 Nd       -73679.755      1.289     8249.577    0.009 B-    -82.616   20.001 149 920901.525      1.384
-  28   89   61  150 Pm    +  -73597.139     20.041     8243.810    0.134 B-   3454.000   20.000 149 920990.217     21.514
-  26   88   62  150 Sm       -77051.139      1.274     8261.621    0.009 B-  -2258.905    6.181 149 917282.195      1.368
-  24   87   63  150 Eu       -74792.234      6.253     8241.346    0.042 B-    971.700    3.543 149 919707.229      6.712
-  22   86   64  150 Gd       -75763.934      6.076     8242.609    0.041 B-  -4658.213    8.379 149 918664.066      6.523
-  20   85   65  150 Tb       -71105.721      7.384     8206.338    0.049 B-  -1796.122    8.389 149 923664.864      7.927
-  18   84   66  150 Dy       -69309.600      4.348     8189.149    0.029 B-  -7363.719   14.468 149 925593.080      4.667
-  16   83   67  150 Ho       -61945.881     14.168     8134.842    0.094 B-  -4114.568   13.591 149 933498.358     15.210
-  14   82   68  150 Er       -57831.313     17.195     8102.195    0.115 B- -11340#     196#    149 937915.528     18.459
-  12   81   69  150 Tm    x  -46491#       196#        8021#       1#    B-  -7852#     358#    149 950090#       210#
-  10   80   70  150 Yb    x  -38638#       300#        7964#       2#    B- -13998#     424#    149 958520#       322#
-   8   79   71  150 Lu   -p  -24640#       300#        7865#       2#    B-      *              149 973548#       322#
-0 41   96   55  151 Cs    x  -34230#       500#        8013#       3#    B-  10710#     640#    150 963253#       537#
-  39   95   56  151 Ba    x  -44940#       400#        8079#       3#    B-   8370#     591#    150 951755#       429#
-  37   94   57  151 La    x  -53310.333    435.473     8129.043    2.884 B-   7914.718  435.833 150 942769.000    467.500
-  35   93   58  151 Ce    x  -61225.052     17.698     8176.277    0.117 B-   5554.578   21.189 150 934272.200     19.000
-  33   92   59  151 Pr       -66779.630     11.651     8207.881    0.077 B-   4163.358   11.689 150 928309.114     12.507
-  31   91   60  151 Nd       -70942.988      1.293     8230.272    0.009 B-   2443.075    4.473 150 923839.565      1.387
-  29   90   61  151 Pm       -73386.063      4.653     8241.270    0.031 B-   1190.217    4.476 150 921216.817      4.994
-  27   89   62  151 Sm       -74576.279      1.273     8243.971    0.008 B-     76.574    0.538 150 919939.066      1.367
-  25   88   63  151 Eu       -74652.854      1.325     8239.297    0.009 B-   -464.116    2.779 150 919856.860      1.422
-  23   87   64  151 Gd       -74188.737      3.056     8231.043    0.020 B-  -2565.233    3.762 150 920355.109      3.280
-  21   86   65  151 Tb       -71623.504      4.137     8208.873    0.027 B-  -2871.099    4.944 150 923109.001      4.441
-  19   85   66  151 Dy   -a  -68752.405      3.293     8184.678    0.022 B-  -5129.667    8.756 150 926191.253      3.535
-  17   84   67  151 Ho   -a  -63622.738      8.302     8145.526    0.055 B-  -5356.454   18.444 150 931698.177      8.912
-  15   83   68  151 Er    x  -58266.284     16.470     8104.872    0.109 B-  -7493.528   25.460 150 937448.567     17.681
-  13   82   69  151 Tm   +a  -50772.756     19.416     8050.064    0.129 B-  -9230.414  300.136 150 945493.201     20.843
-  11   81   70  151 Yb   ep  -41542.342    300.492     7983.755    1.990 B- -11434#     425#    150 955402.458    322.591
-   9   80   71  151 Lu   -p  -30108#       300#        7903#       2#    B-      *              150 967677#       322#
-0 42   97   55  152 Cs    x  -28930#       500#        7979#       3#    B-  12780#     640#    151 968942#       537#
-  40   96   56  152 Ba    x  -41710#       400#        8057#       3#    B-   7580#     500#    151 955222#       429#
-  38   95   57  152 La    x  -49290#       300#        8102#       2#    B-   9690#     361#    151 947085#       322#
-  36   94   58  152 Ce    x  -58980#       200#        8161#       1#    B-   4778#     201#    151 936682#       215#
-  34   93   59  152 Pr    x  -63758.063     18.537     8187.104    0.122 B-   6391.344   30.710 151 931552.900     19.900
-  32   92   60  152 Nd       -70149.407     24.485     8224.005    0.161 B-   1104.778   18.501 151 924691.509     26.285
-  30   91   61  152 Pm       -71254.186     25.912     8226.127    0.170 B-   3508.417   25.886 151 923505.481     27.817
-  28   90   62  152 Sm       -74762.603      1.212     8244.061    0.008 B-  -1874.348    0.687 151 919739.040      1.301
-  26   89   63  152 Eu       -72888.255      1.326     8226.583    0.009 B-   1818.661    0.702 151 921751.235      1.423
-  24   88   64  152 Gd       -74706.916      1.206     8233.401    0.008 B-  -3990.000   40.000 151 919798.822      1.294
-  22   87   65  152 Tb    -  -70716.916     40.018     8202.004    0.263 B-   -599.044   40.258 151 924082.263     42.961
-  20   86   66  152 Dy   -a  -70117.873      4.624     8192.916    0.030 B-  -6513.102   13.325 151 924725.363      4.963
-  18   85   67  152 Ho       -63604.771     12.529     8144.919    0.082 B-  -3104.394    9.815 151 931717.465     13.450
-  16   84   68  152 Er       -60500.377      8.830     8119.349    0.058 B-  -8780.104   54.743 151 935050.169      9.479
-  14   83   69  152 Tm       -51720.273     54.027     8056.438    0.355 B-  -5449.892  139.620 151 944476.000     58.000
-  12   82   70  152 Yb       -46270.381    149.708     8015.436    0.985 B- -12848#     246#    151 950326.700    160.718
-  10   81   71  152 Lu    x  -33422#       196#        7926#       1#    B-      *              151 964120#       210#
-0 41   97   56  153 Ba    x  -36470#       400#        8023#       3#    B-   9590#     500#    152 960848#       429#
-  39   96   57  153 La    x  -46060#       300#        8081#       2#    B-   8850#     361#    152 950553#       322#
-  37   95   58  153 Ce    x  -54910#       200#        8134#       1#    B-   6659#     201#    152 941052#       215#
-  35   94   59  153 Pr       -61568.463     11.882     8172.036    0.078 B-   5761.834   12.190 152 933903.532     12.755
-  33   93   60  153 Nd       -67330.297      2.747     8204.582    0.018 B-   3317.527    9.355 152 927717.949      2.948
-  31   92   61  153 Pm       -70647.824      9.066     8221.152    0.059 B-   1911.862    9.093 152 924156.436      9.732
-  29   91   62  153 Sm   -n  -72559.686      1.219     8228.534    0.008 B-    807.536    0.708 152 922103.969      1.309
-  27   90   63  153 Eu       -73367.222      1.330     8228.699    0.009 B-   -484.671    0.717 152 921237.043      1.428
-  25   89   64  153 Gd       -72882.551      1.203     8220.418    0.008 B-  -1569.213    3.845 152 921757.359      1.291
-  23   88   65  153 Tb       -71313.338      3.995     8205.048    0.026 B-  -2170.394    1.933 152 923441.978      4.289
-  21   87   66  153 Dy       -69142.943      4.048     8185.749    0.026 B-  -4130.840    6.157 152 925771.992      4.346
-  19   86   67  153 Ho   -a  -65012.103      5.094     8153.637    0.033 B-  -4543.499    9.916 152 930206.632      5.468
-  17   85   68  153 Er       -60468.604      9.321     8118.827    0.061 B-  -6495.276   12.891 152 935084.279     10.006
-  15   84   69  153 Tm       -53973.329     11.983     8071.261    0.078 B-  -6765#     196#    152 942057.244     12.864
-  13   83   70  153 Yb    x  -47208#       196#        8022#       1#    B-  -8835#     247#    152 949320#       210#
-  11   82   71  153 Lu   +a  -38372.844    150.034     7959.070    0.981 B- -11073#     335#    152 958805.054    161.068
-   9   81   72  153 Hf    x  -27300#       300#        7882#       2#    B-      *              152 970692#       322#
-0 42   98   56  154 Ba    x  -32820#       500#        8000#       3#    B-   8709#     583#    153 964766#       537#
-  40   97   57  154 La    x  -41530#       300#        8051#       2#    B-  10690#     361#    153 955416#       322#
-  38   96   58  154 Ce    x  -52220#       200#        8116#       1#    B-   5885#     230#    153 943940#       215#
-  36   95   59  154 Pr    +  -58104.976    113.009     8148.892    0.734 B-   7720.000  100.000 153 937621.738    121.320
-  34   94   60  154 Nd    +  -65824.976     52.642     8193.942    0.342 B-   2687.000   25.000 153 929333.977     56.513
-  32   93   61  154 Pm   IT  -68511.976     46.326     8206.310    0.301 B-   3943.200   46.303 153 926449.364     49.733
-  30   92   62  154 Sm       -72455.176      1.462     8226.835    0.009 B-   -717.056    1.103 153 922216.164      1.569
-  28   91   63  154 Eu       -71738.121      1.346     8217.098    0.009 B-   1967.834    0.755 153 922985.955      1.444
-  26   90   64  154 Gd       -73705.954      1.197     8224.796    0.008 B-  -3549.651   45.298 153 920873.398      1.285
-  24   89   65  154 Tb    -  -70156.303     45.314     8196.666    0.294 B-    237.604   45.901 153 924684.106     48.646
-  22   88   66  154 Dy       -70393.907      7.445     8193.129    0.048 B-  -5754.596   10.178 153 924429.028      7.992
-  20   87   67  154 Ho   -a  -64639.311      8.228     8150.681    0.053 B-  -2034.291    9.463 153 930606.841      8.833
-  18   86   68  154 Er       -62605.020      4.986     8132.392    0.032 B-  -8177.888   14.916 153 932790.743      5.353
-  16   85   69  154 Tm   -a  -54427.131     14.412     8074.208    0.094 B-  -4495.048   13.953 153 941570.067     15.472
-  14   84   70  154 Yb       -49932.083     17.281     8039.939    0.112 B- -10217#     197#    153 946395.701     18.552
-  12   83   71  154 Lu   +a  -39715#       196#        7969#       1#    B-  -7045#     358#    153 957364#       211#
-  10   82   72  154 Hf    x  -32670#       300#        7918#       2#    B-      *              153 964927#       322#
-0 41   98   57  155 La    x  -37930#       400#        8028#       3#    B-   9850#     500#    154 959280#       429#
-  39   97   58  155 Ce    x  -47780#       300#        8087#       2#    B-   7635#     300#    154 948706#       322#
-  37   96   59  155 Pr       -55415.268     17.198     8131.039    0.111 B-   6868.456   19.472 154 940509.259     18.462
-  35   95   60  155 Nd       -62283.724      9.153     8170.304    0.059 B-   4656.207   10.278 154 933135.668      9.826
-  33   94   61  155 Pm       -66939.931      4.718     8195.296    0.030 B-   3250.888    4.946 154 928137.024      5.065
-  31   93   62  155 Sm   -n  -70190.819      1.487     8211.223    0.010 B-   1627.273    1.202 154 924647.051      1.595
-  29   92   63  155 Eu       -71818.092      1.401     8216.674    0.009 B-    251.788    0.870 154 922900.102      1.504
-  27   91   64  155 Gd       -72069.880      1.191     8213.251    0.008 B-   -819.830    9.789 154 922629.796      1.278
-  25   90   65  155 Tb    +  -71250.050      9.849     8202.914    0.064 B-  -2094.500    1.897 154 923509.921     10.573
-  23   89   66  155 Dy       -69155.550      9.665     8184.354    0.062 B-  -3116.011   16.590 154 925758.459     10.375
-  21   88   67  155 Ho       -66039.539     17.474     8159.203    0.113 B-  -3830.350   18.474 154 929103.634     18.759
-  19   87   68  155 Er   -a  -62209.189      6.098     8129.444    0.039 B-  -5583.276   11.515 154 933215.684      6.546
-  17   86   69  155 Tm   -a  -56625.913      9.925     8088.375    0.064 B-  -6123.305   19.341 154 939209.578     10.654
-  15   85   70  155 Yb   -a  -50502.608     16.600     8043.823    0.107 B-  -7957.561   25.416 154 945783.217     17.820
-  13   84   71  155 Lu   +a  -42545.047     19.246     7987.436    0.124 B-  -8375#     299#    154 954326.011     20.661
-  11   83   72  155 Hf    x  -34170#       298#        7928#       2#    B- -10242#     423#    154 963317#       320#
-   9   82   73  155 Ta   -p  -23928#       300#        7857#       2#    B-      *              154 974312#       322#
-0 42   99   57  156 La    x  -33050#       400#        7997#       3#    B-  11769#     500#    155 964519#       429#
-  40   98   58  156 Ce    x  -44820#       300#        8068#       2#    B-   6748#     361#    155 951884#       322#
-  38   97   59  156 Pr    x  -51568#       200#        8106#       1#    B-   8906#     283#    155 944640#       215#
-  36   96   60  156 Nd    +  -60473.644    200.033     8158.066    1.282 B-   3690.000  200.000 155 935078.868    214.744
-  34   95   61  156 Pm       -64163.644      3.631     8176.705    0.023 B-   5196.786    9.285 155 931117.490      3.897
-  32   94   62  156 Sm       -69360.430      8.546     8205.003    0.055 B-    722.118    7.902 155 925538.511      9.174
-  30   93   63  156 Eu       -70082.548      3.590     8204.617    0.023 B-   2452.366    3.409 155 924763.285      3.853
-  28   92   64  156 Gd       -72534.914      1.190     8215.322    0.008 B-  -2444.117    3.679 155 922130.562      1.277
-  26   91   65  156 Tb       -70090.797      3.814     8194.639    0.024 B-    438.167    3.681 155 924754.430      4.094
-  24   90   66  156 Dy       -70528.964      1.194     8192.433    0.008 B-  -5050.000   60.000 155 924284.038      1.281
-  22   89   67  156 Ho    -  -65478.964     60.012     8155.046    0.385 B-  -1267.255   64.869 155 929705.436     64.425
-  20   88   68  156 Er       -64211.709     24.629     8141.908    0.158 B-  -7377.159   26.710 155 931065.890     26.440
-  18   87   69  156 Tm       -56834.550     14.279     8089.603    0.092 B-  -3568.830   12.548 155 938985.597     15.328
-  16   86   70  156 Yb       -53265.721      9.308     8061.711    0.060 B-  -9566.176   54.916 155 942816.893      9.992
-  14   85   71  156 Lu   -a  -43699.544     54.122     7995.374    0.347 B-  -5882.648  139.709 155 953086.606     58.102
-  12   84   72  156 Hf       -37816.896    149.757     7952.650    0.960 B- -11956#     334#    155 959401.889    160.770
-  10   83   73  156 Ta   -p  -25861#       298#        7871#       2#    B-      *              155 972237#       320#
-0 41   99   58  157 Ce    x  -39930#       400#        8037#       3#    B-   8610#     500#    156 957133#       429#
-  39   98   59  157 Pr    x  -48540#       300#        8086#       2#    B-   7921#     301#    156 947890#       322#
-  37   97   60  157 Nd       -56461.543     24.918     8131.959    0.159 B-   5835.500   25.877 156 939386.037     26.750
-  35   96   61  157 Pm       -62297.043      7.006     8164.145    0.045 B-   4380.534    8.265 156 933121.370      7.521
-  33   95   62  157 Sm       -66677.577      4.433     8187.063    0.028 B-   2781.331    6.136 156 928418.673      4.759
-  31   94   63  157 Eu       -69458.908      4.259     8199.795    0.027 B-   1364.565    4.203 156 925432.791      4.572
-  29   93   64  157 Gd       -70823.473      1.189     8203.504    0.008 B-    -60.043    0.297 156 923967.870      1.276
-  27   92   65  157 Tb       -70763.430      1.222     8198.138    0.008 B-  -1338.872    5.134 156 924032.328      1.311
-  25   91   66  157 Dy       -69424.558      5.177     8184.627    0.033 B-  -2591.725   23.787 156 925469.667      5.557
-  23   90   67  157 Ho       -66832.832     23.469     8163.136    0.149 B-  -3419.194   33.668 156 928251.999     25.195
-  21   89   68  157 Er       -63413.639     26.505     8136.375    0.169 B-  -4704.366   38.515 156 931922.655     28.454
-  19   88   69  157 Tm    x  -58709.273     27.945     8101.428    0.178 B-  -5287.374   30.003 156 936973.000     30.000
-  17   87   70  157 Yb       -53421.898     10.920     8062.767    0.070 B-  -6981.376   14.241 156 942649.230     11.723
-  15   86   71  157 Lu       -46440.523     12.078     8013.317    0.077 B-  -7537#     196#    156 950144.045     12.965
-  13   85   72  157 Hf   -a  -38903#       196#        7960#       1#    B-  -9310#     247#    156 958236#       210#
-  11   84   73  157 Ta   IT  -29593.330    150.069     7896.043    0.956 B- -10123#     427#    156 968230.251    161.105
-   9   83   74  157 W     x  -19470#       400#        7827#       3#    B-      *              156 979098#       429#
-0 42  100   58  158 Ce    x  -36660#       400#        8016#       3#    B-   7670#     500#    157 960644#       429#
-  40   99   59  158 Pr    x  -44330#       300#        8060#       2#    B-   9725#     361#    157 952410#       322#
-  38   98   60  158 Nd    x  -54055#       200#        8116#       1#    B-   5035#     201#    157 941970#       215#
-  36   97   61  158 Pm       -59089.209     13.453     8143.254    0.085 B-   6161.034   14.299 157 936565.121     14.442
-  34   96   62  158 Sm       -65250.243      4.892     8177.297    0.031 B-   2004.945   10.369 157 929950.979      5.251
-  32   95   63  158 Eu       -67255.188     10.255     8185.035    0.065 B-   3434.358   10.323 157 927798.581     11.008
-  30   94   64  158 Gd       -70689.546      1.189     8201.819    0.008 B-  -1218.878    0.987 157 924111.646      1.276
-  28   93   65  158 Tb       -69470.668      1.401     8189.153    0.009 B-    936.681    2.495 157 925420.166      1.503
-  26   92   66  158 Dy       -70407.349      2.365     8190.130    0.015 B-  -4219.755   27.005 157 924414.597      2.538
-  24   91   67  158 Ho    -  -66187.593     27.108     8158.471    0.172 B-   -883.785   37.025 157 928944.692     29.101
-  22   90   68  158 Er       -65303.808     25.219     8147.926    0.160 B-  -6600.615   31.341 157 929893.474     27.074
-  20   89   69  158 Tm       -58703.194     25.219     8101.199    0.160 B-  -2692.957   26.456 157 936979.525     27.074
-  18   88   70  158 Yb       -56010.237      7.994     8079.203    0.051 B-  -8798.047   16.872 157 939870.534      8.582
-  16   87   71  158 Lu   -a  -47212.190     15.125     8018.568    0.096 B-  -5109.800   14.937 157 949315.626     16.237
-  14   86   72  158 Hf       -42102.390     17.494     7981.276    0.111 B- -10936#     197#    157 954801.222     18.780
-  12   85   73  158 Ta   +a  -31167#       196#        7907#       1#    B-  -7534#     358#    157 966541#       210#
-  10   84   74  158 W    -a  -23633#       300#        7854#       2#    B-      *              157 974629#       322#
-0 41  100   59  159 Pr    x  -41088#       400#        8039#       3#    B-   8719#     500#    158 955890#       429#
-  39   99   60  159 Nd    x  -49807#       300#        8089#       2#    B-   6747#     300#    158 946530#       322#
-  37   98   61  159 Pm       -56554.280     10.039     8126.859    0.063 B-   5653.495   11.644 158 939286.479     10.777
-  35   97   62  159 Sm       -62207.775      5.934     8157.495    0.037 B-   3835.510    7.324 158 933217.202      6.369
-  33   96   63  159 Eu       -66043.285      4.325     8176.697    0.027 B-   2518.150    4.391 158 929099.612      4.643
-  31   95   64  159 Gd       -68561.436      1.192     8187.614    0.007 B-    970.927    0.759 158 926396.267      1.279
-  29   94   65  159 Tb       -69532.363      1.256     8188.800    0.008 B-   -365.229    1.162 158 925353.933      1.348
-  27   93   66  159 Dy       -69167.134      1.528     8181.583    0.010 B-  -1837.600    2.683 158 925746.023      1.640
-  25   92   67  159 Ho    -  -67329.534      3.088     8165.105    0.019 B-  -2768.500    2.000 158 927718.768      3.314
-  23   91   68  159 Er    -  -64561.034      3.679     8142.773    0.023 B-  -3990.637   28.186 158 930690.875      3.949
-  21   90   69  159 Tm    x  -60570.398     27.945     8112.754    0.176 B-  -4731.792   33.129 158 934975.000     30.000
-  19   89   70  159 Yb    x  -55838.606     17.794     8078.074    0.112 B-  -6130.002   41.655 158 940054.787     19.102
-  17   88   71  159 Lu    x  -49708.604     37.663     8034.600    0.237 B-  -6856.004   41.246 158 946635.615     40.433
-  15   87   72  159 Hf   -a  -42852.600     16.813     7986.560    0.106 B-  -8413.452   25.891 158 953995.838     18.049
-  13   86   73  159 Ta   IT  -34439.148     19.689     7928.725    0.124 B-  -9145#     299#    158 963028.052     21.137
-  11   85   74  159 W    -a  -25295#       298#        7866#       2#    B- -10550#     426#    158 972845#       320#
-   9   84   75  159 Re   IT  -14745#       305#        7795#       2#    B-      *              158 984171#       327#
-0 42  101   59  160 Pr    x  -36520#       400#        8011#       2#    B-  10613#     500#    159 960794#       429#
-  40  100   60  160 Nd    x  -47134#       300#        8073#       2#    B-   5868#     361#    159 949400#       322#
-  38   99   61  160 Pm    x  -53002#       200#        8104#       1#    B-   7233#     200#    159 943100#       215#
-  36   98   62  160 Sm       -60234.793      5.934     8144.625    0.037 B-   3245.670   11.183 159 935335.286      6.370
-  34   97   63  160 Eu       -63480.463      9.501     8160.021    0.059 B-   4461.278    9.586 159 931850.916     10.199
-  32   96   64  160 Gd       -67941.741      1.278     8183.014    0.008 B-   -105.483    1.022 159 927061.537      1.371
-  30   95   65  160 Tb       -67836.257      1.262     8177.465    0.008 B-   1836.472    1.172 159 927174.778      1.354
-  28   94   66  160 Dy       -69672.730      0.772     8184.054    0.005 B-  -3290.000   15.000 159 925203.244      0.828
-  26   93   67  160 Ho    -  -66382.730     15.020     8158.602    0.094 B-   -318.502   28.528 159 928735.204     16.124
-  24   92   68  160 Er       -66064.228     24.254     8151.721    0.152 B-  -5762.200   40.311 159 929077.130     26.037
-  22   91   69  160 Tm       -60302.028     34.262     8110.818    0.214 B-  -2139.322   35.017 159 935263.106     36.781
-  20   90   70  160 Yb       -58162.706      7.233     8092.557    0.045 B-  -7892.769   57.280 159 937559.763      7.764
-  18   89   71  160 Lu    x  -50269.937     56.821     8038.338    0.355 B-  -4330.994   57.617 159 946033.000     61.000
-  16   88   72  160 Hf       -45938.943      9.541     8006.380    0.060 B- -10115.249   55.147 159 950682.513     10.242
-  14   87   73  160 Ta   -a  -35823.695     54.316     7938.270    0.339 B-  -6497.240  139.859 159 961541.679     58.310
-  12   86   74  160 W        -29326.455    149.827     7892.772    0.936 B- -12588#     334#    159 968516.753    160.846
-  10   85   75  160 Re   -a  -16739#       298#        7809#       2#    B-      *              159 982030#       320#
-0 41  101   60  161 Nd    x  -42588#       400#        8044#       2#    B-   7648#     499#    160 954280#       429#
-  39  100   61  161 Pm    x  -50235#       298#        8087#       2#    B-   6436#     298#    160 946070#       320#
-  37   99   62  161 Sm       -56671.962      6.817     8122.041    0.042 B-   5119.562   12.415 160 939160.143      7.318
-  35   98   63  161 Eu       -61791.524     10.399     8148.980    0.065 B-   3714.299   10.525 160 933664.066     11.164
-  33   97   64  161 Gd   -n  -65505.824      1.622     8167.191    0.010 B-   1955.765    1.442 160 929676.602      1.741
-  31   96   65  161 Tb       -67461.589      1.350     8174.479    0.008 B-    594.212    1.260 160 927577.001      1.449
-  29   95   66  161 Dy       -68055.801      0.768     8173.310    0.005 B-   -858.530    2.166 160 926939.088      0.824
-  27   94   67  161 Ho       -67197.270      2.242     8163.119    0.014 B-  -1995.663    9.011 160 927860.759      2.406
-  25   93   68  161 Er   +n  -65201.608      8.780     8145.864    0.055 B-  -3302.900   29.292 160 930003.191      9.425
-  23   92   69  161 Tm    x  -61898.708     27.945     8120.490    0.174 B-  -4059.308   31.885 160 933549.000     30.000
-  21   91   70  161 Yb    x  -57839.400     15.354     8090.417    0.095 B-  -5277.056   31.885 160 937906.846     16.483
-  19   90   71  161 Lu    x  -52562.344     27.945     8052.781    0.174 B-  -6247.672   35.909 160 943572.000     30.000
-  17   89   72  161 Hf       -46314.672     22.551     8009.117    0.140 B-  -7535.674   33.097 160 950279.151     24.209
-  15   88   73  161 Ta   +a  -38778.997     24.382     7957.452    0.151 B-  -8224#     197#    160 958369.031     26.175
-  13   87   74  161 W    -a  -30555#       196#        7902#       1#    B-  -9715#     247#    160 967197#       210#
-  11   86   75  161 Re       -20840.203    149.922     7836.312    0.931 B- -10861#     427#    160 977627.121    160.948
-   9   85   76  161 Os   -a   -9979#       400#        7764#       2#    B-      *              160 989287#       429#
-0 42  102   60  162 Nd    x  -39550#       400#        8026#       2#    B-   6819#     500#    161 957541#       429#
-  40  101   61  162 Pm    x  -46370#       300#        8063#       2#    B-   8160#     358#    161 950220#       322#
-  38  100   62  162 Sm    x  -54530#       196#        8109#       1#    B-   4174#     199#    161 941460#       210#
-  36   99   63  162 Eu    +  -58703.401     35.229     8129.438    0.217 B-   5577.000   35.000 161 936979.303     37.819
-  34   98   64  162 Gd  -nn  -64280.401      4.009     8159.035    0.025 B-   1395.556   36.581 161 930992.146      4.303
-  32   97   65  162 Tb    +  -65675.958     36.372     8162.820    0.225 B-   2505.521   36.364 161 929493.955     39.046
-  30   96   66  162 Dy       -68181.478      0.767     8173.457    0.005 B-  -2139.937    3.113 161 926804.168      0.822
-  28   95   67  162 Ho       -66041.541      3.166     8155.418    0.020 B-    292.978    3.127 161 929101.485      3.398
-  26   94   68  162 Er       -66334.519      0.822     8152.397    0.005 B-  -4856.728   26.047 161 928786.960      0.882
-  24   93   69  162 Tm    -  -61477.791     26.060     8117.588    0.161 B-  -1651.444   30.240 161 934000.872     27.977
-  22   92   70  162 Yb    x  -59826.347     15.359     8102.565    0.095 B-  -6994.593   76.592 161 935773.771     16.488
-  20   91   71  162 Lu    x  -52831.753     75.036     8054.559    0.463 B-  -3662.746   75.570 161 943282.776     80.554
-  18   90   72  162 Hf       -49169.008      8.968     8027.120    0.055 B-  -9388.814   52.931 161 947214.896      9.627
-  16   89   73  162 Ta   -a  -39780.194     52.238     7964.335    0.322 B-  -5780.987   52.239 161 957294.202     56.079
-  14   88   74  162 W        -33999.207     17.658     7923.821    0.109 B- -11498#     197#    161 963500.347     18.956
-  12   87   75  162 Re   +a  -22501#       196#        7848#       1#    B-  -8061#     358#    161 975844#       210#
-  10   86   76  162 Os   -a  -14440#       300#        7793#       2#    B-      *              161 984498#       322#
-0 41  102   61  163 Pm    x  -43249#       400#        8044#       2#    B-   7471#     499#    162 953570#       429#
-  39  101   62  163 Sm    x  -50720#       298#        8085#       2#    B-   5765#     305#    162 945550#       320#
-  37  100   63  163 Eu    +  -56484.886     65.544     8115.471    0.402 B-   4829.000   65.000 162 939360.977     70.364
-  35   99   64  163 Gd       -61313.886      8.426     8140.297    0.052 B-   3282.185    9.358 162 934176.832      9.045
-  33   98   65  163 Tb   +p  -64596.071      4.073     8155.633    0.025 B-   1785.099    4.001 162 930653.261      4.372
-  31   97   66  163 Dy       -66381.170      0.765     8161.785    0.005 B-     -2.834    0.019 162 928736.879      0.821
-  29   96   67  163 Ho       -66378.335      0.765     8156.968    0.005 B-  -1210.612    4.575 162 928739.921      0.821
-  27   95   68  163 Er       -65167.723      4.639     8144.741    0.028 B-  -2439.000    3.000 162 930039.567      4.980
-  25   94   69  163 Tm    -  -62728.723      5.524     8124.979    0.034 B-  -3429.629   16.309 162 932657.941      5.930
-  23   93   70  163 Yb    x  -59299.094     15.364     8099.138    0.094 B-  -4507.685   31.890 162 936339.800     16.493
-  21   92   71  163 Lu    x  -54791.409     27.945     8066.684    0.171 B-  -5527.726   37.348 162 941179.000     30.000
-  19   91   72  163 Hf       -49263.682     24.778     8027.972    0.152 B-  -6729.054   45.416 162 947113.258     26.599
-  17   90   73  163 Ta   -a  -42534.629     38.061     7981.890    0.234 B-  -7626.436   65.049 162 954337.195     40.860
-  15   89   74  163 W    -a  -34908.193     52.751     7930.302    0.324 B-  -8905.949   55.912 162 962524.511     56.630
-  13   88   75  163 Re   +a  -26002.244     18.534     7870.865    0.114 B-  -9810#     299#    162 972085.441     19.897
-  11   87   76  163 Os   -a  -16192#       298#        7806#       2#    B-      *              162 982617#       320#
-0 42  103   61  164 Pm    x  -38870#       400#        8017#       2#    B-   9232#     499#    163 958271#       429#
-  40  102   62  164 Sm    x  -48102#       298#        8069#       2#    B-   5279#     319#    163 948360#       320#
-  38  101   63  164 Eu    +  -53381#       114#        8096#       1#    B-   6393.000   50.000 163 942693#       122#
-  36  100   64  164 Gd    x  -59774#       102#        8130#       1#    B-   2304#     143#    163 935830#       110#
-  34   99   65  164 Tb    +  -62077.965    100.003     8139.765    0.610 B-   3890.000  100.000 163 933356.559    107.357
-  32   98   66  164 Dy       -65967.965      0.767     8158.714    0.005 B-   -986.463    1.415 163 929180.472      0.823
-  30   97   67  164 Ho       -64981.503      1.528     8147.929    0.009 B-    961.387    1.420 163 930239.483      1.639
-  28   96   68  164 Er       -65942.890      0.775     8149.020    0.005 B-  -4038.855   24.401 163 929207.392      0.832
-  26   95   69  164 Tm       -61904.035     24.394     8119.623    0.149 B-   -886.617   28.829 163 933543.281     26.188
-  24   94   70  164 Yb    x  -61017.418     15.369     8109.446    0.094 B-  -6375.048   31.892 163 934495.103     16.499
-  22   93   71  164 Lu    x  -54642.370     27.945     8065.804    0.170 B-  -2823.865   32.112 163 941339.000     30.000
-  20   92   72  164 Hf       -51818.505     15.820     8043.814    0.096 B-  -8535.704   32.112 163 944370.544     16.983
-  18   91   73  164 Ta    x  -43282.800     27.945     7986.997    0.170 B-  -5047.041   29.572 163 953534.000     30.000
-  16   90   74  164 W        -38235.759      9.674     7951.452    0.059 B- -10763.323   55.406 163 958952.222     10.385
-  14   89   75  164 Re   -a  -27472.436     54.555     7881.052    0.333 B-  -7050.331  140.051 163 970507.124     58.566
-  12   88   76  164 Os       -20422.106    149.919     7833.291    0.914 B- -13078#     348#    163 978075.966    160.945
-  10   87   77  164 Ir   -a   -7344#       314#        7749#       2#    B-      *              163 992116#       338#
-0 41  103   62  165 Sm    x  -43808#       401#        8043#       2#    B-   6916#     424#    164 952970#       430#
-  39  102   63  165 Eu    +  -50724#       138#        8080#       1#    B-   5729.000   65.000 164 945546#       148#
-  37  101   64  165 Gd    +  -56453#       121#        8110#       1#    B-   4113.000   65.000 164 939395#       130#
-  35  100   65  165 Tb    x  -60566#       102#        8130#       1#    B-   3047#     102#    164 934980#       110#
-  33   99   66  165 Dy   -n  -63612.606      0.769     8143.909    0.005 B-   1286.400    0.829 164 931709.054      0.825
-  31   98   67  165 Ho       -64899.006      1.010     8146.964    0.006 B-   -377.396    1.033 164 930328.047      1.084
-  29   97   68  165 Er       -64521.610      0.964     8139.936    0.006 B-  -1591.990    1.538 164 930733.198      1.034
-  27   96   69  165 Tm       -62929.621      1.671     8125.546    0.010 B-  -2634.239   26.592 164 932442.269      1.793
-  25   95   70  165 Yb       -60295.382     26.539     8104.839    0.161 B-  -3853.140   35.432 164 935270.241     28.490
-  23   94   71  165 Lu       -56442.242     26.539     8076.745    0.161 B-  -4806.734   38.539 164 939406.758     28.490
-  21   93   72  165 Hf    x  -51635.507     27.945     8042.872    0.169 B-  -5787.655   31.195 164 944567.000     30.000
-  19   92   73  165 Ta       -45847.853     13.863     8003.054    0.084 B-  -6986.830   28.566 164 950780.303     14.882
-  17   91   74  165 W        -38861.022     24.977     7955.968    0.151 B-  -8201.246   34.332 164 958280.974     26.813
-  15   90   75  165 Re   +a  -30659.776     23.594     7901.522    0.143 B-  -8865#     197#    164 967085.375     25.329
-  13   89   76  165 Os   -a  -21795#       196#        7843#       1#    B- -10202#     252#    164 976602#       210#
-  11   88   77  165 Ir   IT  -11593#       158#        7776#       1#    B-      *              164 987555#       170#
-0 42  104   62  166 Sm    x  -40730#       400#        8024#       2#    B-   6478#     537#    165 956275#       429#
-  40  103   63  166 Eu    +  -47208#       358#        8059#       2#    B-   7322.000  300.000 165 949320#       384#
-  38  102   64  166 Gd    x  -54530#       196#        8098#       1#    B-   3355#     208#    165 941460#       210#
-  36  101   65  166 Tb    +  -57884.789     70.005     8113.680    0.422 B-   4700.000   70.000 165 937858.119     75.153
-  34  100   66  166 Dy   -n  -62584.789      0.867     8137.280    0.005 B-    486.540    0.921 165 932812.461      0.930
-  32   99   67  166 Ho       -63071.329      1.010     8135.499    0.006 B-   1854.713    0.922 165 932290.139      1.084
-  30   98   68  166 Er       -64926.042      1.165     8141.959    0.007 B-  -3037.667   11.547 165 930299.023      1.251
-  28   97   69  166 Tm    -  -61888.375     11.606     8118.946    0.070 B-   -292.635   13.507 165 933560.092     12.459
-  26   96   70  166 Yb  +nn  -61595.740      7.101     8112.471    0.043 B-  -5574.759   30.642 165 933874.249      7.623
-  24   95   71  166 Lu    x  -56020.981     29.808     8074.175    0.180 B-  -2161.998   40.859 165 939859.000     32.000
-  22   94   72  166 Hf    x  -53858.983     27.945     8056.438    0.168 B-  -7761.208   39.520 165 942180.000     30.000
-  20   93   73  166 Ta    x  -46097.775     27.945     8004.971    0.168 B-  -4209.744   29.508 165 950512.000     30.000
-  18   92   74  166 W        -41888.031      9.478     7974.898    0.057 B-  -9994.553   72.879 165 955031.346     10.174
-  16   91   75  166 Re   -a  -31893.478     72.310     7909.977    0.436 B-  -6461.961   72.387 165 965760.940     77.628
-  14   90   76  166 Os       -25431.517     17.966     7866.336    0.108 B- -12078#     197#    165 972698.141     19.287
-  12   89   77  166 Ir   -p  -13354#       196#        7789#       1#    B-  -8624#     359#    165 985664#       210#
-  10   88   78  166 Pt   -a   -4730#       300#        7732#       2#    B-      *              165 994923#       322#
-0 41  104   63  167 Eu    x  -44010#       400#        8040#       2#    B-   6803#     499#    166 952753#       429#
-  39  103   64  167 Gd    x  -50813#       298#        8076#       2#    B-   5114#     357#    166 945450#       320#
-  37  102   65  167 Tb    x  -55927#       196#        8102#       1#    B-   4004#     205#    166 939960#       210#
-  35  101   66  167 Dy    +  -59930.626     60.228     8120.992    0.361 B-   2350.000   60.000 166 935661.823     64.657
-  33  100   67  167 Ho  p2n  -62280.626      5.234     8130.379    0.031 B-   1010.554    5.208 166 933138.994      5.618
-  31   99   68  167 Er       -63291.180      1.166     8131.746    0.007 B-   -747.539    1.501 166 932054.119      1.252
-  29   98   69  167 Tm       -62543.641      1.298     8122.585    0.008 B-  -1953.065    3.798 166 932856.635      1.393
-  27   97   70  167 Yb       -60590.576      3.981     8106.205    0.024 B-  -3089.451   31.920 166 934953.337      4.273
-  25   96   71  167 Lu    x  -57501.125     31.671     8083.021    0.190 B-  -4033.369   42.237 166 938270.000     34.000
-  23   95   72  167 Hf    x  -53467.756     27.945     8054.184    0.167 B-  -5116.697   39.520 166 942600.000     30.000
-  21   94   73  167 Ta    x  -48351.059     27.945     8018.861    0.167 B-  -6253.001   33.382 166 948093.000     30.000
-  19   93   74  167 W        -42098.058     18.261     7976.733    0.109 B-  -7267#      44#    166 954805.873     19.603
-  17   92   75  167 Re   +a  -34831#        40#        7929#       0#    B-  -8329#      83#    166 962607#        43#
-  15   91   76  167 Os   -a  -26501.993     72.682     7873.974    0.435 B-  -9429.554   74.962 166 971548.938     78.027
-  13   90   77  167 Ir       -17072.440     18.346     7812.825    0.110 B- -10460#     303#    166 981671.981     19.695
-  11   89   78  167 Pt   -a   -6612#       302#        7746#       2#    B-      *              166 992901#       325#
-0 42  105   63  168 Eu    x  -39740#       500#        8014#       3#    B-   8623#     641#    167 957337#       537#
-  40  104   64  168 Gd    x  -48363#       401#        8061#       2#    B-   4359#     499#    167 948080#       430#
-  38  103   65  168 Tb    x  -52723#       298#        8082#       2#    B-   5837#     329#    167 943400#       320#
-  36  102   66  168 Dy  +pp  -58559.566    140.009     8112.536    0.833 B-   1501.605  143.186 167 937133.716    150.305
-  34  101   67  168 Ho    +  -60061.171     30.023     8116.817    0.179 B-   2930.000   30.000 167 935521.676     32.230
-  32  100   68  168 Er       -62991.171      1.168     8129.601    0.007 B-  -1678.250    1.870 167 932376.192      1.254
-  30   99   69  168 Tm       -61312.921      1.709     8114.954    0.010 B-    268.980    1.887 167 934177.868      1.834
-  28   98   70  168 Yb       -61581.901      1.195     8111.898    0.007 B-  -4514.051   39.248 167 933889.106      1.282
-  26   97   71  168 Lu    -  -57067.850     39.266     8080.372    0.234 B-  -1707.299   48.195 167 938735.139     42.153
-  24   96   72  168 Hf    x  -55360.552     27.945     8065.553    0.166 B-  -6966.644   39.520 167 940568.000     30.000
-  22   95   73  168 Ta    x  -48393.908     27.945     8019.428    0.166 B-  -3500.799   30.936 167 948047.000     30.000
-  20   94   74  168 W        -44893.109     13.271     7993.933    0.079 B-  -9098.224   33.556 167 951805.262     14.247
-  18   93   75  168 Re   -a  -35794.885     30.821     7935.120    0.183 B-  -5799.672   32.373 167 961572.608     33.087
-  16   92   76  168 Os       -29995.213      9.904     7895.941    0.059 B- -11328.987   56.098 167 967798.812     10.632
-  14   91   77  168 Ir   -a  -18666.226     55.216     7823.850    0.329 B-  -7658.765  140.344 167 979960.981     59.277
-  12   90   78  168 Pt   -a  -11007.460    149.951     7773.605    0.893 B-      *              167 988183.004    160.978
-0 41  105   64  169 Gd    x  -44153#       503#        8036#       3#    B-   6176#     585#    168 952600#       540#
-  39  104   65  169 Tb    x  -50329#       298#        8068#       2#    B-   5269#     423#    168 945970#       320#
-  37  103   66  169 Dy    +  -55597.177    300.670     8094.763    1.779 B-   3200.000  300.000 168 940313.971    322.782
-  35  102   67  169 Ho   +p  -58797.177     20.060     8109.068    0.119 B-   2125.927   20.053 168 936878.630     21.534
-  33  101   68  169 Er   -n  -60923.104      1.179     8117.019    0.007 B-    352.108    1.114 168 934596.353      1.265
-  31  100   69  169 Tm       -61275.212      0.812     8114.473    0.005 B-   -897.650    1.141 168 934218.350      0.871
-  29   99   70  169 Yb   -n  -60377.563      1.205     8104.532    0.007 B-  -2293.000    3.000 168 935182.016      1.293
-  27   98   71  169 Lu    -  -58084.563      3.233     8086.335    0.019 B-  -3367.673   28.131 168 937643.653      3.470
-  25   97   72  169 Hf    x  -54716.889     27.945     8061.778    0.165 B-  -4426.460   39.520 168 941259.000     30.000
-  23   96   73  169 Ta    x  -50290.430     27.945     8030.957    0.165 B-  -5372.557   31.925 168 946011.000     30.000
-  21   95   74  169 W        -44917.873     15.436     7994.537    0.091 B-  -6508.641   19.173 168 951778.677     16.571
-  19   94   75  169 Re   +a  -38409.232     11.374     7951.395    0.067 B-  -7686.541   27.618 168 958765.991     12.210
-  17   93   76  169 Os   -a  -30722.691     25.167     7901.284    0.149 B-  -8628.852   34.276 168 967017.833     27.017
-  15   92   77  169 Ir   +a  -22093.839     23.308     7845.596    0.138 B-  -9581#     197#    168 976281.287     25.021
-  13   91   78  169 Pt   -a  -12512#       196#        7784#       1#    B- -10724#     357#    168 986567#       210#
-  11   90   79  169 Au    x   -1788#       298#        7716#       2#    B-      *              168 998080#       320#
-0 42  106   64  170 Gd    x  -41380#       596#        8020#       4#    B-   5344#     718#    169 955577#       640#
-  40  105   65  170 Tb    x  -46724#       401#        8047#       2#    B-   6940#     446#    169 949840#       430#
-  38  104   66  170 Dy    x  -53663#       196#        8083#       1#    B-   2575#     202#    169 942390#       210#
-  36  103   67  170 Ho    +  -56238.681     50.024     8093.796    0.294 B-   3870.000   50.000 169 939625.289     53.702
-  34  102   68  170 Er       -60108.681      1.546     8111.959    0.009 B-   -312.828    1.821 169 935470.673      1.659
-  32  101   69  170 Tm       -59795.853      0.801     8105.517    0.005 B-    968.066    0.801 169 935806.507      0.859
-  30  100   70  170 Yb       -60763.919      0.010     8106.609    0.000 B-  -3457.695   16.843 169 934767.245      0.011
-  28   99   71  170 Lu    -  -57306.224     16.843     8081.668    0.099 B-  -1052.370   32.628 169 938479.234     18.081
-  26   98   72  170 Hf    x  -56253.854     27.945     8070.875    0.164 B-  -6116.190   39.520 169 939609.000     30.000
-  24   97   73  170 Ta    x  -50137.665     27.945     8030.296    0.164 B-  -2846.832   30.904 169 946175.000     30.000
-  22   96   74  170 W        -47290.832     13.195     8008.948    0.078 B-  -8377.639   26.611 169 949231.200     14.165
-  20   95   75  170 Re       -38913.193     23.109     7955.065    0.136 B-  -4986.946   25.091 169 958224.966     24.808
-  18   94   76  170 Os       -33926.247      9.773     7921.128    0.057 B- -10567#      89#    169 963578.673     10.491
-  16   93   77  170 Ir   -a  -23360#        89#        7854#       1#    B-  -7060#      89#    169 974922#        95#
-  14   92   78  170 Pt       -16299.193     18.247     7808.236    0.107 B- -12547#     197#    169 982502.095     19.588
-  12   91   79  170 Au   -p   -3752#       196#        7730#       1#    B-      *              169 995972#       211#
-0 41  106   65  171 Tb    x  -44032#       503#        8031#       3#    B-   6157#     585#    170 952730#       540#
-  39  105   66  171 Dy    x  -50189#       298#        8063#       2#    B-   4330#     670#    170 946120#       320#
-  37  104   67  171 Ho    +  -54518.956    600.002     8083.608    3.509 B-   3200.000  600.000 170 941471.490    644.128
-  35  103   68  171 Er       -57718.956      1.557     8097.746    0.009 B-   1491.342    1.256 170 938036.148      1.670
-  33  102   69  171 Tm       -59210.298      0.972     8101.893    0.006 B-     96.512    0.972 170 936435.126      1.043
-  31  101   70  171 Yb       -59306.810      0.013     8097.882    0.000 B-  -1478.414    1.862 170 936331.517      0.014
-  29  100   71  171 Lu       -57828.395      1.862     8084.661    0.011 B-  -2397.050   28.936 170 937918.660      1.998
-  27   99   72  171 Hf    x  -55431.345     28.876     8066.068    0.169 B-  -3711.072   40.184 170 940492.000     31.000
-  25   98   73  171 Ta    x  -51720.273     27.945     8039.791    0.163 B-  -4634.183   39.520 170 944476.000     30.000
-  23   97   74  171 W     x  -47086.090     27.945     8008.115    0.163 B-  -5835.810   39.520 170 949451.000     30.000
-  21   96   75  171 Re    x  -41250.280     27.945     7969.412    0.163 B-  -6948.339   33.145 170 955716.000     30.000
-  19   95   76  171 Os       -34301.942     17.823     7924.204    0.104 B-  -7889.916   42.395 170 963175.348     19.133
-  17   94   77  171 Ir   -a  -26412.025     38.466     7873.489    0.225 B-  -8942.323   82.291 170 971645.522     41.295
-  15   93   78  171 Pt   -a  -17469.702     72.747     7816.619    0.425 B-  -9907.407   75.639 170 981245.502     78.097
-  13   92   79  171 Au   -p   -7562.295     20.713     7754.106    0.121 B- -11043#     303#    170 991881.542     22.236
-  11   91   80  171 Hg   -a    3480#       303#        7685#       2#    B-      *              171 003736#       325#
-0 42  107   65  172 Tb    x  -39850#       503#        8007#       3#    B-   8159#     585#    171 957219#       540#
-  40  106   66  172 Dy    x  -48009#       298#        8050#       2#    B-   3474#     357#    171 948460#       320#
-  38  105   67  172 Ho    x  -51484#       196#        8066#       1#    B-   5000#     196#    171 944730#       210#
-  36  104   68  172 Er       -56483.612      4.008     8090.410    0.023 B-    890.767    4.543 171 939362.344      4.302
-  34  103   69  172 Tm       -57374.379      5.503     8091.041    0.032 B-   1881.067    5.503 171 938406.067      5.907
-  32  102   70  172 Yb       -59255.446      0.014     8097.429    0.000 B-  -2519.466    2.336 171 936386.658      0.014
-  30  101   71  172 Lu       -56735.980      2.336     8078.232    0.014 B-   -333.754   24.540 171 939091.417      2.507
-  28  100   72  172 Hf    x  -56402.226     24.428     8071.743    0.142 B-  -5072.248   37.117 171 939449.716     26.224
-  26   99   73  172 Ta    x  -51329.977     27.945     8037.705    0.162 B-  -2232.791   39.520 171 944895.000     30.000
-  24   98   74  172 W     x  -49097.186     27.945     8020.175    0.162 B-  -7560.080   47.974 171 947292.000     30.000
-  22   97   75  172 Re       -41537.106     38.995     7971.672    0.227 B-  -4293.264   41.036 171 955408.079     41.862
-  20   96   76  172 Os       -37243.842     12.782     7942.163    0.074 B-  -9864.473   34.832 171 960017.088     13.721
-  18   95   77  172 Ir   -a  -27379.369     32.402     7880.263    0.188 B-  -6272.449   34.023 171 970607.036     34.785
-  16   94   78  172 Pt       -21106.920     10.377     7839.247    0.060 B- -11788.914   57.108 171 977340.788     11.139
-  14   93   79  172 Au   -a   -9318.006     56.158     7766.158    0.326 B-  -8259.262  140.853 171 989996.708     60.287
-  12   92   80  172 Hg   -a   -1058.744    150.079     7713.591    0.873 B-      *              171 998863.391    161.116
-0 41  107   66  173 Dy    x  -43939#       401#        8027#       2#    B-   5412#     499#    172 952830#       430#
-  39  106   67  173 Ho    x  -49351#       298#        8054#       2#    B-   4304#     357#    172 947020#       320#
-  37  105   68  173 Er    x  -53654#       196#        8074#       1#    B-   2602#     196#    172 942400#       210#
-  35  104   69  173 Tm  p2n  -56256.059      4.400     8084.463    0.025 B-   1295.166    4.400 172 939606.632      4.723
-  33  103   70  173 Yb       -57551.225      0.011     8087.427    0.000 B-   -670.310    1.567 172 938216.215      0.012
-  31  102   71  173 Lu       -56880.916      1.567     8079.030    0.009 B-  -1469.132   27.989 172 938935.822      1.682
-  29  101   72  173 Hf    x  -55411.784     27.945     8066.016    0.162 B-  -3015.246   39.520 172 940513.000     30.000
-  27  100   73  173 Ta    x  -52396.538     27.945     8044.064    0.162 B-  -3669.155   39.520 172 943750.000     30.000
-  25   99   74  173 W     x  -48727.383     27.945     8018.333    0.162 B-  -5173.518   39.520 172 947689.000     30.000
-  23   98   75  173 Re    x  -43553.865     27.945     7983.906    0.162 B-  -6115.608   31.697 172 953243.000     30.000
-  21   97   76  173 Os       -37438.257     14.959     7944.033    0.086 B-  -7169.822   18.583 172 959808.375     16.059
-  19   96   77  173 Ir       -30268.435     11.026     7898.067    0.064 B-  -8325.524   57.052 172 967505.496     11.837
-  17   95   78  173 Pt   -a  -21942.911     55.977     7845.420    0.324 B-  -9110.471   60.421 172 976443.315     60.093
-  15   94   79  173 Au   +a  -12832.440     22.784     7788.237    0.132 B- -10123#     197#    172 986223.808     24.459
-  13   93   80  173 Hg   -a   -2710#       196#        7725#       1#    B-      *              172 997091#       210#
-0 42  108   66  174 Dy    x  -41370#       503#        8012#       3#    B-   4319#     585#    173 955587#       540#
-  40  107   67  174 Ho    x  -45690#       298#        8033#       2#    B-   6260#     422#    173 950950#       320#
-  38  106   68  174 Er    x  -51949#       298#        8064#       2#    B-   1915#     301#    173 944230#       320#
-  36  105   69  174 Tm    +  -53864.512     44.721     8070.642    0.257 B-   3080.000   44.721 173 942174.064     48.010
-  34  104   70  174 Yb       -56944.512      0.011     8083.847    0.000 B-  -1374.317    1.567 173 938867.548      0.011
-  32  103   71  174 Lu       -55570.195      1.567     8071.453    0.009 B-    274.286    2.169 173 940342.938      1.682
-  30  102   72  174 Hf       -55844.481      2.259     8068.533    0.013 B-  -4103.715   28.036 173 940048.480      2.424
-  28  101   73  174 Ta    x  -51740.766     27.945     8040.452    0.161 B-  -1513.678   39.520 173 944454.000     30.000
-  26  100   74  174 W     x  -50227.088     27.945     8027.256    0.161 B-  -6553.992   39.520 173 946079.000     30.000
-  24   99   75  174 Re    x  -43673.096     27.945     7985.094    0.161 B-  -3677.681   29.767 173 953115.000     30.000
-  22   98   76  174 Os       -39995.416     10.254     7959.461    0.059 B-  -9131.924   26.395 173 957063.152     11.008
-  20   97   77  174 Ir       -30863.492     24.322     7902.483    0.140 B-  -5545.329   26.433 173 966866.676     26.111
-  18   96   78  174 Pt   -a  -25318.163     10.351     7866.117    0.059 B- -11083#      89#    173 972819.832     11.112
-  16   95   79  174 Au   -a  -14235#        89#        7798#       1#    B-  -7594#      89#    173 984718#        95#
-  14   94   80  174 Hg   -a   -6641.009     19.211     7749.784    0.110 B-      *              173 992870.583     20.624
-0 41  108   67  175 Ho    x  -43203#       401#        8019#       2#    B-   5449#     566#    174 953620#       430#
-  39  107   68  175 Er    x  -48652#       401#        8045#       2#    B-   3659#     404#    174 947770#       430#
-  37  106   69  175 Tm    +  -52310.549     50.000     8061.766    0.286 B-   2385.000   50.000 174 943842.313     53.677
-  35  105   70  175 Yb       -54695.549      0.071     8070.925    0.000 B-    470.033    1.206 174 941281.910      0.076
-  33  104   71  175 Lu       -55165.582      1.207     8069.140    0.007 B-   -683.920    1.952 174 940777.308      1.295
-  31  103   72  175 Hf       -54481.662      2.282     8060.761    0.013 B-  -2073.015   28.038 174 941511.527      2.449
-  29  102   73  175 Ta    x  -52408.647     27.945     8044.445    0.160 B-  -2775.852   39.520 174 943737.000     30.000
-  27  101   74  175 W     x  -49632.795     27.945     8024.112    0.160 B-  -4344.488   39.520 174 946717.000     30.000
-  25  100   75  175 Re    x  -45288.307     27.945     7994.816    0.160 B-  -5182.931   30.324 174 951381.000     30.000
-  23   99   76  175 Os       -40105.376     11.775     7960.729    0.067 B-  -6710.870   17.089 174 956945.105     12.640
-  21   98   77  175 Ir       -33394.506     12.384     7917.910    0.071 B-  -7681.040   22.001 174 964149.521     13.295
-  19   97   78  175 Pt       -25713.466     18.185     7869.548    0.104 B-  -8309.511   42.705 174 972395.457     19.522
-  17   96   79  175 Au   -a  -17403.955     38.640     7817.595    0.221 B-  -9431.379   82.504 174 981316.085     41.481
-  15   95   80  175 Hg   -a   -7972.576     72.896     7759.231    0.417 B-      *              174 991441.086     78.257
-0 42  109   67  176 Ho    x  -39290#       503#        7997#       3#    B-   7340#     643#    175 957820#       540#
-  40  108   68  176 Er    x  -46631#       401#        8034#       2#    B-   2741#     413#    175 949940#       430#
-  38  107   69  176 Tm    +  -49371.314    100.000     8045.121    0.568 B-   4120.000  100.000 175 946997.711    107.354
-  36  106   70  176 Yb       -53491.314      0.015     8064.085    0.000 B-   -109.078    1.212 175 942574.708      0.015
-  34  105   71  176 Lu       -53382.236      1.212     8059.020    0.007 B-   1194.085    0.874 175 942691.809      1.301
-  32  104   72  176 Hf       -54576.321      1.481     8061.359    0.008 B-  -3210.948   30.775 175 941409.905      1.590
-  30  103   73  176 Ta    x  -51365.374     30.739     8038.670    0.175 B-   -723.771   41.543 175 944857.000     33.000
-  28  102   74  176 W     x  -50641.603     27.945     8030.112    0.159 B-  -5578.718   39.520 175 945634.000     30.000
-  26  101   75  176 Re    x  -45062.885     27.945     7993.970    0.159 B-  -2964.945   39.520 175 951623.000     30.000
-  24  100   76  176 Os    x  -42097.940     27.945     7972.679    0.159 B-  -8219.614   32.580 175 954806.000     30.000
-  22   99   77  176 Ir       -33878.326     16.750     7921.531    0.095 B-  -4944.459   21.035 175 963630.119     17.981
-  20   98   78  176 Pt       -28933.867     12.724     7888.992    0.072 B- -10412.904   35.541 175 968938.214     13.660
-  18   97   79  176 Au   -a  -18520.963     33.185     7825.383    0.189 B-  -6736.013   34.998 175 980116.927     35.625
-  16   96   80  176 Hg       -11784.950     11.119     7782.665    0.063 B- -12366.544   75.904 175 987348.335     11.937
-  14   95   81  176 Tl   -p     581.594     75.086     7707.955    0.427 B-      *              176 000624.367     80.607
-0 41  109   68  177 Er    x  -42858#       503#        8013#       3#    B-   4611#     585#    176 953990#       540#
-  39  108   69  177 Tm    x  -47469#       298#        8035#       2#    B-   3517#     298#    176 949040#       320#
-  37  107   70  177 Yb   -n  -50986.397      0.220     8049.973    0.001 B-   1397.409    1.240 176 945263.848      0.236
-  35  106   71  177 Lu       -52383.806      1.220     8053.448    0.007 B-    496.810    0.791 176 943763.668      1.310
-  33  105   72  177 Hf       -52880.616      1.408     8051.835    0.008 B-  -1166.000    3.000 176 943230.320      1.511
-  31  104   73  177 Ta    -  -51714.616      3.314     8040.827    0.019 B-  -2012.890   28.141 176 944482.073      3.557
-  29  103   74  177 W     x  -49701.726     27.945     8025.035    0.158 B-  -3432.555   39.520 176 946643.000     30.000
-  27  102   75  177 Re    x  -46269.170     27.945     8001.222    0.158 B-  -4312.708   31.535 176 950328.000     30.000
-  25  101   76  177 Os   +a  -41956.462     14.613     7972.436    0.083 B-  -5909.041   24.576 176 954957.882     15.687
-  23  100   77  177 Ir    x  -36047.421     19.760     7934.632    0.112 B-  -6676.976   24.801 176 961301.500     21.213
-  21   99   78  177 Pt       -29370.444     14.988     7892.489    0.085 B-  -7825.341   18.297 176 968469.529     16.090
-  19   98   79  177 Au       -21545.103     10.496     7843.858    0.059 B-  -8762.561   75.786 176 976870.379     11.268
-  17   97   80  177 Hg   -a  -12782.542     75.056     7789.932    0.424 B-  -9442.016   78.098 176 986277.376     80.575
-  15   96   81  177 Tl   IT   -3340.526     21.629     7732.167    0.122 B-      *              176 996413.797     23.219
-0 42  110   68  178 Er    x  -40260#       596#        7999#       3#    B-   3855#     718#    177 956779#       640#
-  40  109   69  178 Tm    x  -44116#       401#        8016#       2#    B-   5580#     401#    177 952640#       430#
-  38  108   70  178 Yb  -nn  -49695.475     10.000     8042.841    0.056 B-    642.309   10.250 177 946649.710     10.735
-  36  107   71  178 Lu       -50337.784      2.251     8042.054    0.013 B-   2097.451    2.057 177 945960.162      2.416
-  34  106   72  178 Hf       -52435.236      1.412     8049.442    0.008 B-  -1837#      52#    177 943708.456      1.516
-  32  105   73  178 Ta   IT  -50598#        52#        8035#       0#    B-   -191#      50#    177 945681#        56#
-  30  104   74  178 W     -  -50406.936     15.199     8029.257    0.085 B-  -4753.483   31.810 177 945885.925     16.316
-  28  103   75  178 Re    x  -45653.453     27.945     7998.157    0.157 B-  -2109.183   31.093 177 950989.000     30.000
-  26  102   76  178 Os       -43544.270     13.632     7981.912    0.077 B-  -7292.386   24.006 177 953253.300     14.634
-  24  101   77  178 Ir    x  -36251.884     19.760     7936.549    0.111 B-  -4254.365   22.207 177 961082.000     21.213
-  22  100   78  178 Pt       -31997.519     10.133     7908.252    0.057 B-  -9693.776   14.297 177 965649.248     10.878
-  20   99   79  178 Au       -22303.743     10.086     7849.398    0.057 B-  -5987.841   14.755 177 976055.945     10.827
-  18   98   80  178 Hg   -a  -16315.901     10.770     7811.363    0.061 B- -11526#      90#    177 982484.158     11.562
-  16   97   81  178 Tl   -a   -4790#        89#        7742#       1#    B-  -8365#      91#    177 994857#        96#
-  14   96   82  178 Pb   -a    3574.294     23.963     7690.830    0.135 B-      *              178 003837.163     25.724
-0 41  110   69  179 Tm    x  -41601#       503#        8002#       3#    B-   4937#     540#    178 955340#       540#
-  39  109   70  179 Yb    x  -46537#       196#        8025#       1#    B-   2521#     196#    178 950040#       210#
-  37  108   71  179 Lu       -49058.918      5.150     8035.073    0.029 B-   1403.989    5.067 178 947333.082      5.528
-  35  107   72  179 Hf       -50462.907      1.413     8038.546    0.008 B-   -105.584    0.409 178 945825.838      1.517
-  33  106   73  179 Ta       -50357.323      1.463     8033.585    0.008 B-  -1062.195   14.520 178 945939.187      1.571
-  31  105   74  179 W        -49295.127     14.573     8023.281    0.081 B-  -2710.847   26.802 178 947079.501     15.644
-  29  104   75  179 Re       -46584.280     24.639     8003.766    0.138 B-  -3564.785   29.656 178 949989.715     26.450
-  27  103   76  179 Os       -43019.495     16.504     7979.480    0.092 B-  -4937.781   19.180 178 953816.669     17.718
-  25  102   77  179 Ir       -38081.714      9.771     7947.524    0.055 B-  -5813.569   12.613 178 959117.596     10.489
-  23  101   78  179 Pt       -32268.145      7.977     7910.675    0.045 B-  -7279.578   14.157 178 965358.719      8.563
-  21  100   79  179 Au       -24988.567     11.696     7865.637    0.065 B-  -8060.433   29.669 178 973173.668     12.555
-  19   99   80  179 Hg       -16928.134     27.267     7816.236    0.152 B-  -8659.639   47.417 178 981826.899     29.272
-  17   98   81  179 Tl   -a   -8268.495     38.793     7763.487    0.217 B- -10319.134   84.963 178 991123.405     41.646
-  15   97   82  179 Pb   -a    2050.639     75.590     7701.468    0.422 B-      *              179 002201.452     81.149
-0 42  111   69  180 Tm    x  -37920#       503#        7982#       3#    B-   6680#     585#    179 959291#       540#
-  40  110   70  180 Yb    x  -44600#       298#        8015#       2#    B-   2076#     306#    179 952120#       320#
-  38  109   71  180 Lu    +  -46676.348     70.725     8022.038    0.393 B-   3103.000   70.711 179 949890.876     75.926
-  36  108   72  180 Hf       -49779.348      1.419     8034.930    0.008 B-   -846.471    2.269 179 946559.669      1.522
-  34  107   73  180 Ta   +n  -48932.877      1.939     8025.881    0.011 B-    703.238    2.281 179 947468.392      2.081
-  32  106   74  180 W        -49636.115      1.436     8025.442    0.008 B-  -3798.757   21.440 179 946713.435      1.542
-  30  105   75  180 Re    x  -45837.359     21.392     7999.991    0.119 B-  -1479.549   26.950 179 950791.568     22.965
-  28  104   76  180 Os       -44357.810     16.391     7987.425    0.091 B-  -6380.284   27.200 179 952379.930     17.596
-  26  103   77  180 Ir    x  -37977.526     21.706     7947.633    0.121 B-  -3541.649   24.323 179 959229.446     23.302
-  24  102   78  180 Pt   +a  -34435.877     10.974     7923.611    0.061 B-  -8810.368   11.973 179 963031.563     11.781
-  22  101   79  180 Au       -25625.509      4.786     7870.318    0.027 B-  -5375.062   13.524 179 972489.883      5.137
-  20  100   80  180 Hg       -20250.447     12.649     7836.110    0.070 B- -10863.800   61.329 179 978260.249     13.579
-  18   99   81  180 Tl   -a   -9386.647     60.010     7771.409    0.333 B-  -7445.267   61.277 179 989923.019     64.423
-  16   98   82  180 Pb   -a   -1941.380     12.396     7725.700    0.069 B-      *              179 997915.842     13.307
-0 43  112   69  181 Tm    x  -35170#       596#        7967#       3#    B-   5918#     667#    180 962243#       640#
-  41  111   70  181 Yb    x  -41088#       298#        7996#       2#    B-   3709#     324#    180 955890#       320#
-  39  110   71  181 Lu    x  -44797.410    125.752     8011.929    0.695 B-   2605.421  125.760 180 951908.000    135.000
-  37  109   72  181 Hf   -n  -47402.831      1.420     8022.002    0.008 B-   1035.480    1.834 180 949110.965      1.524
-  35  108   73  181 Ta       -48438.311      1.403     8023.400    0.008 B-   -204.493    1.854 180 947999.331      1.506
-  33  107   74  181 W    -n  -48233.818      1.445     8017.948    0.008 B-  -1716.427   12.629 180 948218.863      1.551
-  31  106   75  181 Re   4n  -46517.391     12.549     8004.143    0.069 B-  -2967.428   28.275 180 950061.523     13.471
-  29  105   76  181 Os       -43549.963     25.338     7983.426    0.140 B-  -4086.935   25.876 180 953247.188     27.201
-  27  104   77  181 Ir   +a  -39463.028      5.245     7956.523    0.029 B-  -5081.517   14.660 180 957634.694      5.631
-  25  103   78  181 Pt       -34381.511     13.689     7924.126    0.076 B-  -6510.375   24.216 180 963089.927     14.695
-  23  102   79  181 Au   -a  -27871.136     19.976     7883.835    0.110 B-  -7210.000   25.212 180 970079.103     21.445
-  21  101   80  181 Hg       -20661.136     15.382     7839.679    0.085 B-  -7862.401   17.876 180 977819.357     16.513
-  19  100   81  181 Tl       -12798.735      9.108     7791.918    0.050 B-  -9681.385   75.959 180 986259.992      9.778
-  17   99   82  181 Pb   -a   -3117.350     75.411     7734.107    0.417 B-      *              180 996653.386     80.957
-0 42  112   70  182 Yb    x  -38820#       401#        7984#       2#    B-   3060#     446#    181 958325#       430#
-  40  111   71  182 Lu    x  -41880#       196#        7996#       1#    B-   4170#     196#    181 955040#       210#
-  38  110   72  182 Hf  -nn  -46049.508      6.165     8014.837    0.034 B-    380.425    6.274 181 950563.816      6.618
-  36  109   73  182 Ta       -46429.934      1.405     8012.628    0.008 B-   1816.126    1.399 181 950155.413      1.508
-  34  108   74  182 W        -48246.060      0.738     8018.308    0.004 B-  -2800.000  101.980 181 948205.721      0.791
-  32  107   75  182 Re   IT  -45446.060    101.983     7998.625    0.560 B-   -836.955  104.276 181 951211.645    109.483
-  30  106   76  182 Os       -44609.104     21.745     7989.728    0.119 B-  -5557.426   30.207 181 952110.153     23.344
-  28  105   77  182 Ir       -39051.679     20.967     7954.894    0.115 B-  -2883.230   24.720 181 958076.296     22.509
-  26  104   78  182 Pt       -36168.449     13.095     7934.754    0.072 B-  -7867.680   24.123 181 961171.571     14.057
-  24  103   79  182 Au   -a  -28300.768     20.260     7887.226    0.111 B-  -4723.846   22.501 181 969617.874     21.749
-  22  102   80  182 Hg       -23576.922      9.790     7856.972    0.054 B- -10248.994   15.363 181 974689.132     10.510
-  20  101   81  182 Tl   -a  -13327.927     11.839     7796.360    0.065 B-  -6502.815   16.927 181 985691.880     12.709
-  18  100   82  182 Pb   -a   -6825.112     12.098     7756.332    0.066 B-      *              181 992672.940     12.987
-0 43  113   70  183 Yb    x  -35100#       401#        7964#       2#    B-   4616#     408#    182 962319#       430#
-  41  112   71  183 Lu    x  -39716.110     80.108     7984.812    0.438 B-   3566.687   85.553 182 957363.000     86.000
-  39  111   72  183 Hf    +  -43282.796     30.034     8000.027    0.164 B-   2010.000   30.000 182 953534.004     32.242
-  37  110   73  183 Ta   -n  -45292.796      1.419     8006.735    0.008 B-   1072.783    1.413 182 951376.180      1.523
-  35  109   74  183 W        -46365.580      0.737     8008.322    0.004 B-   -556.000    8.000 182 950224.500      0.790
-  33  108   75  183 Re    -  -45809.580      8.034     8001.009    0.044 B-  -2145.537   50.405 182 950821.390      8.624
-  31  107   76  183 Os       -43664.043     49.760     7985.010    0.272 B-  -3460.732   52.733 182 953124.719     53.420
-  29  106   77  183 Ir       -40203.311     24.398     7961.823    0.133 B-  -4430.824   28.923 182 956839.968     26.191
-  27  105   78  183 Pt       -35772.487     15.533     7933.336    0.085 B-  -5581.004   18.168 182 961596.653     16.675
-  25  104   79  183 Au       -30191.483      9.423     7898.564    0.051 B-  -6386.809   11.789 182 967588.108     10.116
-  23  103   80  183 Hg       -23804.674      7.084     7859.388    0.039 B-  -7217.417   11.716 182 974444.629      7.604
-  21  102   81  183 Tl       -16587.257      9.331     7815.673    0.051 B-  -9012.038   29.657 182 982192.846     10.017
-  19  101   82  183 Pb   -a   -7575.218     28.151     7762.152    0.154 B-      *              182 991867.668     30.221
-0 44  114   70  184 Yb    x  -32540#       503#        7951#       3#    B-   3872#     585#    183 965067#       540#
-  42  113   71  184 Lu    x  -36412#       298#        7967#       2#    B-   5087#     301#    183 960910#       320#
-  40  112   72  184 Hf    +  -41499.373     39.706     7990.722    0.216 B-   1340.000   30.000 183 955448.587     42.625
-  38  111   73  184 Ta    +  -42839.373     26.010     7993.752    0.141 B-   2866.000   26.000 183 954010.038     27.923
-  36  110   74  184 W        -45705.373      0.731     8005.077    0.004 B-  -1485.739    4.198 183 950933.260      0.785
-  34  109   75  184 Re       -44219.634      4.275     7992.750    0.023 B-     32.898    4.140 183 952528.267      4.589
-  32  108   76  184 Os       -44252.533      0.827     7988.677    0.005 B-  -4641.682   27.957 183 952492.949      0.887
-  30  107   77  184 Ir    x  -39610.851     27.945     7959.198    0.152 B-  -2276.608   31.997 183 957476.000     30.000
-  28  106   78  184 Pt       -37334.243     15.584     7942.574    0.085 B-  -7015.533   27.185 183 959920.039     16.730
-  26  105   79  184 Au   -a  -30318.710     22.275     7900.194    0.121 B-  -3969.745   24.442 183 967451.524     23.912
-  24  104   80  184 Hg       -26348.965     10.062     7874.367    0.055 B-  -9465.723   14.200 183 971713.221     10.802
-  22  103   81  184 Tl       -16883.242     10.020     7818.671    0.054 B-  -5831.720   16.260 183 981875.093     10.757
-  20  102   82  184 Pb       -11051.522     12.806     7782.725    0.070 B- -12114.590   79.153 183 988135.702     13.748
-  18  101   83  184 Bi   -a    1063.068     78.110     7712.633    0.425 B-      *              184 001141.250     83.854
-0 45  115   70  185 Yb    x  -28500#       503#        7929#       3#    B-   5388#     585#    184 969404#       540#
-  43  114   71  185 Lu    x  -33888#       298#        7954#       2#    B-   4432#     305#    184 963620#       320#
-  41  113   72  185 Hf    x  -38319.800     64.273     7973.970    0.347 B-   3074.492   65.815 184 958862.000     69.000
-  39  112   73  185 Ta    +  -41394.293     14.161     7986.360    0.077 B-   1993.500   14.142 184 955561.396     15.202
-  37  111   74  185 W        -43387.793      0.733     7992.907    0.004 B-    431.234    0.661 184 953421.286      0.786
-  35  110   75  185 Re       -43819.027      0.818     7991.009    0.004 B-  -1013.147    0.419 184 952958.337      0.877
-  33  109   76  185 Os       -42805.880      0.830     7981.304    0.004 B-  -2470.326   27.957 184 954045.995      0.891
-  31  108   77  185 Ir    x  -40335.553     27.945     7963.722    0.151 B-  -3647.414   38.055 184 956698.000     30.000
-  29  107   78  185 Pt       -36688.140     25.832     7939.777    0.140 B-  -4829.997   25.963 184 960613.659     27.731
-  27  106   79  185 Au    x  -31858.143      2.608     7909.440    0.014 B-  -5674.477   13.886 184 965798.874      2.800
-  25  105   80  185 Hg       -26183.666     13.639     7874.538    0.074 B-  -6425.925   24.767 184 971890.676     14.641
-  23  104   81  185 Tl   IT  -19757.741     20.674     7835.575    0.112 B-  -8216.521   26.249 184 978789.191     22.194
-  21  103   82  185 Pb   -a  -11541.220     16.175     7786.932    0.087 B-  -9305#      83#    184 987609.989     17.364
-  19  102   83  185 Bi   IT   -2236#        81#        7732#       0#    B-      *              184 997600#        87#
-0 44  115   71  186 Lu    x  -30210#       401#        7935#       2#    B-   6214#     404#    185 967568#       430#
-  42  114   72  186 Hf    x  -36424.210     51.232     7964.302    0.275 B-   2183.318   78.906 185 960897.000     55.000
-  40  113   73  186 Ta    +  -38607.528     60.012     7971.835    0.323 B-   3901.000   60.000 185 958553.111     64.425
-  38  112   74  186 W        -42508.528      1.212     7988.601    0.007 B-   -581.442    1.244 185 954365.215      1.300
-  36  111   75  186 Re       -41927.086      0.826     7981.269    0.004 B-   1072.857    0.837 185 954989.419      0.886
-  34  110   76  186 Os       -42999.943      0.761     7982.831    0.004 B-  -3827.596   16.543 185 953837.660      0.816
-  32  109   77  186 Ir    x  -39172.346     16.526     7958.047    0.089 B-  -1307.903   27.312 185 957946.754     17.740
-  30  108   78  186 Pt       -37864.443     21.745     7946.809    0.117 B-  -6149.591   30.207 185 959350.846     23.344
-  28  107   79  186 Au       -31714.852     20.967     7909.540    0.113 B-  -3175.756   23.987 185 965952.703     22.509
-  26  106   80  186 Hg       -28539.097     11.650     7888.260    0.063 B-  -8652.484   25.209 185 969362.017     12.507
-  24  105   81  186 Tl    x  -19886.613     22.356     7837.535    0.120 B-  -5204.588   25.078 185 978650.841     24.000
-  22  104   82  186 Pb   -a  -14682.026     11.363     7805.347    0.061 B- -11535.814   20.329 185 984238.196     12.199
-  20  103   83  186 Bi   -a   -3146.212     16.857     7739.121    0.091 B-  -7247.186   24.870 185 996622.402     18.096
-  18  102   84  186 Po   -a    4100.974     18.286     7695.951    0.098 B-      *              186 004402.577     19.630
-0 45  116   71  187 Lu    x  -27580#       401#        7922#       2#    B-   5237#     499#    186 970392#       430#
-  43  115   72  187 Hf    x  -32817#       298#        7946#       2#    B-   4079#     303#    186 964770#       320#
-  41  114   73  187 Ta    x  -36895.546     55.890     7963.212    0.299 B-   3008.424   55.903 186 960391.000     60.000
-  39  113   74  187 W        -39903.970      1.212     7975.116    0.006 B-   1312.508    1.122 186 957161.323      1.300
-  37  112   75  187 Re       -41216.478      0.736     7977.951    0.004 B-      2.467    0.002 186 955752.288      0.790
-  35  111   76  187 Os       -41218.945      0.736     7973.780    0.004 B-  -1669.572   27.955 186 955749.640      0.790
-  33  110   77  187 Ir    x  -39549.372     27.945     7960.668    0.149 B-  -2864.323   36.868 186 957542.000     30.000
-  31  109   78  187 Pt       -36685.050     24.048     7941.168    0.129 B-  -3657.212   27.377 186 960616.976     25.816
-  29  108   79  187 Au       -33027.838     22.308     7917.427    0.119 B-  -4909.908   26.287 186 964543.155     23.948
-  27  107   80  187 Hg       -28117.930     13.905     7886.987    0.074 B-  -5673.343   16.067 186 969814.158     14.928
-  25  106   81  187 Tl       -22444.587      8.048     7852.464    0.043 B-  -7457.628    9.525 186 975904.743      8.640
-  23  105   82  187 Pb       -14986.959      5.094     7808.400    0.027 B-  -8603.688   11.227 186 983910.836      5.468
-  21  104   83  187 Bi   -a   -6383.271     10.005     7758.208    0.054 B-  -9211.868   33.430 186 993147.276     10.740
-  19  103   84  187 Po   -a    2828.597     31.898     7704.763    0.171 B-      *              187 003036.624     34.243
-0 46  117   71  188 Lu    x  -23790#       503#        7902#       3#    B-   7089#     585#    187 974460#       540#
-  44  116   72  188 Hf    x  -30879#       298#        7936#       2#    B-   2733#     303#    187 966850#       320#
-  42  115   73  188 Ta    x  -33612.030     54.958     7946.321    0.292 B-   5055.781   55.045 187 963916.000     59.000
-  40  114   74  188 W     +  -38667.811      3.089     7969.052    0.016 B-    349.000    3.000 187 958488.395      3.316
-  38  113   75  188 Re   -n  -39016.811      0.738     7966.747    0.004 B-   2120.422    0.152 187 958113.728      0.791
-  36  112   76  188 Os       -41137.233      0.734     7973.864    0.004 B-  -2792.326    9.416 187 955837.361      0.787
-  34  111   77  188 Ir       -38344.907      9.423     7954.850    0.050 B-   -523.979    8.686 187 958835.046     10.116
-  32  110   78  188 Pt       -37820.929      5.304     7947.902    0.028 B-  -5449.621    5.953 187 959397.560      5.694
-  30  109   79  188 Au    x  -32371.308      2.701     7914.753    0.014 B-  -2169.394   12.569 187 965247.969      2.900
-  28  108   80  188 Hg       -30201.914     12.275     7899.052    0.065 B-  -7865.513   32.325 187 967576.910     13.178
-  26  107   81  188 Tl    x  -22336.400     29.904     7853.053    0.159 B-  -4521.198   31.734 187 976020.886     32.103
-  24  106   82  188 Pb   -a  -17815.202     10.622     7824.843    0.057 B- -10620.515   15.427 187 980874.592     11.403
-  22  105   83  188 Bi   -a   -7194.687     11.187     7764.189    0.060 B-  -6650.374   22.892 187 992276.184     12.009
-  20  104   84  188 Po   -a    -544.313     19.973     7724.653    0.106 B-      *              187 999415.655     21.441
-0 45  117   72  189 Hf    x  -27162#       298#        7917#       2#    B-   4667#     357#    188 970840#       320#
-  43  116   73  189 Ta    x  -31829#       196#        7938#       1#    B-   3788#     200#    188 965830#       210#
-  41  115   74  189 W     x  -35617.536     40.054     7953.454    0.212 B-   2361.507   40.883 188 961763.000     43.000
-  39  114   75  189 Re   +p  -37979.043      8.191     7961.809    0.043 B-   1007.702    8.167 188 959227.817      8.793
-  37  113   76  189 Os       -38986.745      0.666     7963.002    0.004 B-   -537.159   12.563 188 958146.005      0.715
-  35  112   77  189 Ir       -38449.586     12.576     7956.020    0.067 B-  -1980.238   13.636 188 958722.669     13.500
-  33  111   78  189 Pt       -36469.348     10.090     7941.403    0.053 B-  -2887.394   22.474 188 960848.542     10.832
-  31  110   79  189 Au    x  -33581.955     20.081     7921.987    0.106 B-  -3955.554   37.401 188 963948.286     21.558
-  29  109   80  189 Hg       -29626.401     31.553     7896.919    0.167 B-  -5010.300   32.643 188 968194.748     33.873
-  27  108   81  189 Tl       -24616.100      8.368     7866.270    0.044 B-  -6772.066   16.364 188 973573.527      8.983
-  25  107   82  189 Pb       -17844.035     14.062     7826.299    0.074 B-  -7779.374   25.150 188 980843.639     15.096
-  23  106   83  189 Bi   -a  -10064.660     20.851     7780.999    0.110 B-  -8642.656   30.354 188 989195.141     22.384
-  21  105   84  189 Po   -a   -1422.005     22.059     7731.131    0.117 B-      *              188 998473.415     23.681
-0 46  118   72  190 Hf    x  -25030#       401#        7907#       2#    B-   3483#     446#    189 973129#       430#
-  44  117   73  190 Ta    x  -28513#       196#        7921#       1#    B-   5869#     200#    189 969390#       210#
-  42  116   74  190 W        -34382.313     39.726     7947.573    0.209 B-   1253.517   63.522 189 963089.066     42.647
-  40  115   75  190 Re       -35635.830     70.852     7950.053    0.373 B-   3071.941   70.854 189 961743.360     76.063
-  38  114   76  190 Os       -38707.771      0.650     7962.104    0.003 B-  -1954.227    1.213 189 958445.496      0.697
-  36  113   77  190 Ir   +n  -36753.544      1.370     7947.701    0.007 B-    552.906    1.282 189 960543.445      1.470
-  34  112   78  190 Pt       -37306.450      0.657     7946.493    0.003 B-  -4472.917    3.509 189 959949.876      0.704
-  32  111   79  190 Au    x  -32833.533      3.447     7918.834    0.018 B-  -1462.836   16.276 189 964751.750      3.700
-  30  110   80  190 Hg       -31370.697     15.907     7907.017    0.084 B-  -6998.670   17.782 189 966322.169     17.076
-  28  109   81  190 Tl   +a  -24372.027      7.948     7866.064    0.042 B-  -3955.382   14.825 189 973835.551      8.532
-  26  108   82  190 Pb   -a  -20416.645     12.514     7841.129    0.066 B-  -9817.066   25.800 189 978081.828     13.434
-  24  107   83  190 Bi   -a  -10599.579     22.562     7785.342    0.119 B-  -6035.742   26.275 189 988620.883     24.221
-  22  106   84  190 Po   -a   -4563.837     13.465     7749.458    0.071 B-      *              189 995100.519     14.455
-0 45  118   73  191 Ta    x  -26492#       298#        7911#       2#    B-   4684#     301#    190 971560#       320#
-  43  117   74  191 W     x  -31176.173     41.917     7931.435    0.219 B-   3174.124   43.156 190 966531.000     45.000
-  41  116   75  191 Re   +p  -34350.296     10.265     7943.957    0.054 B-   2044.889   10.244 190 963123.437     11.019
-  39  115   76  191 Os       -36395.185      0.659     7950.568    0.003 B-    313.570    1.141 190 960928.159      0.707
-  37  114   77  191 Ir       -36708.756      1.311     7948.113    0.007 B-  -1010.518    3.636 190 960591.527      1.406
-  35  113   78  191 Pt       -35698.237      4.127     7938.727    0.022 B-  -1900.333    6.426 190 961676.363      4.430
-  33  112   79  191 Au       -33797.904      4.926     7924.681    0.026 B-  -3206.008   22.710 190 963716.455      5.288
-  31  111   80  191 Hg       -30591.896     22.280     7903.800    0.117 B-  -4308.951   23.461 190 967158.247     23.918
-  29  110   81  191 Tl   +a  -26282.945      7.349     7877.144    0.038 B-  -6051.827   37.978 190 971784.096      7.889
-  27  109   82  191 Pb    x  -20231.118     37.260     7841.363    0.195 B-  -6991.772   38.005 190 978281.000     40.000
-  25  108   83  191 Bi       -13239.347      7.487     7800.661    0.039 B-  -8170.612   10.320 190 985786.975      8.037
-  23  107   84  191 Po        -5068.735      7.103     7753.786    0.037 B-  -8932.653   17.600 190 994558.488      7.624
-  21  106   85  191 At   -a    3863.917     16.103     7702.923    0.084 B-      *              191 004148.086     17.287
-0 46  119   73  192 Ta    x  -23064#       401#        7894#       2#    B-   6586#     446#    191 975240#       430#
-  44  118   74  192 W     x  -29649#       196#        7924#       1#    B-   1939#     208#    191 968170#       210#
-  42  117   75  192 Re    x  -31588.825     70.794     7930.238    0.369 B-   4293.366   70.831 191 966088.000     76.000
-  40  116   76  192 Os       -35882.191      2.315     7948.525    0.012 B-  -1046.630    2.397 191 961478.881      2.485
-  38  115   77  192 Ir       -34835.561      1.314     7938.999    0.007 B-   1452.896    2.274 191 962602.485      1.410
-  36  114   78  192 Pt       -36288.457      2.570     7942.491    0.013 B-  -3516.341   15.617 191 961042.736      2.758
-  34  113   79  192 Au    -  -32772.116     15.827     7920.102    0.082 B-   -760.563   22.178 191 964817.684     16.991
-  32  112   80  192 Hg    x  -32011.553     15.537     7912.066    0.081 B-  -6139.307   35.277 191 965634.182     16.679
-  30  111   81  192 Tl    x  -25872.246     31.671     7876.016    0.165 B-  -3316.226   34.348 191 972225.000     34.000
-  28  110   82  192 Pb   -a  -22556.020     13.295     7854.669    0.069 B-  -9021.485   32.917 191 975785.115     14.273
-  26  109   83  192 Bi   -a  -13534.535     30.112     7803.608    0.157 B-  -5463.873   32.096 191 985470.078     32.326
-  24  108   84  192 Po   -a   -8070.661     11.110     7771.075    0.058 B- -10996.516   30.008 191 991335.788     11.926
-  22  107   85  192 At   -a    2925.854     27.876     7709.727    0.145 B-      *              192 003141.034     29.926
-0 47  120   73  193 Ta    x  -20870#       401#        7884#       2#    B-   5417#     446#    192 977595#       430#
-  45  119   74  193 W     x  -26287#       196#        7908#       1#    B-   3945#     199#    192 971780#       210#
-  43  118   75  193 Re    x  -30231.638     39.123     7923.937    0.203 B-   3162.652   39.192 192 967545.000     42.000
-  41  117   76  193 Os       -33394.289      2.321     7936.270    0.012 B-   1141.946    2.400 192 964149.753      2.491
-  39  116   77  193 Ir       -34536.235      1.328     7938.133    0.007 B-    -56.628    0.300 192 962923.824      1.425
-  37  115   78  193 Pt       -34479.608      1.359     7933.786    0.007 B-  -1074.787    8.768 192 962984.616      1.458
-  35  114   79  193 Au       -33404.821      8.674     7924.164    0.045 B-  -2342.642   14.370 192 964138.447      9.311
-  33  113   80  193 Hg       -31062.179     15.505     7907.972    0.080 B-  -3584.967   16.894 192 966653.377     16.645
-  31  112   81  193 Tl    x  -27477.212      6.707     7885.344    0.035 B-  -5282.723   50.028 192 970501.997      7.200
-  29  111   82  193 Pb    x  -22194.490     49.577     7853.919    0.257 B-  -6309.931   50.152 192 976173.234     53.222
-  27  110   83  193 Bi       -15884.559      7.576     7817.171    0.039 B-  -7559.241   16.387 192 982947.223      8.132
-  25  109   84  193 Po   -a   -8325.318     14.531     7773.950    0.075 B-  -8257.998   26.059 192 991062.403     15.599
-  23  108   85  193 At   -a     -67.320     21.632     7727.109    0.112 B-  -9110.231   33.144 192 999927.728     23.222
-  21  107   86  193 Rn   -a    9042.911     25.112     7675.852    0.130 B-      *              193 009707.964     26.958
-0 48  121   73  194 Ta    x  -17300#       503#        7866#       3#    B-   7227#     585#    193 981428#       540#
-  46  120   74  194 W     x  -24526#       298#        7899#       2#    B-   2711#     357#    193 973670#       320#
-  44  119   75  194 Re    x  -27237#       196#        7909#       1#    B-   5198#     196#    193 970760#       210#
-  42  118   76  194 Os    +  -32435.108      2.403     7932.022    0.012 B-     96.600    2.000 193 965179.477      2.579
-  40  117   77  194 Ir   -n  -32531.708      1.332     7928.487    0.007 B-   2228.362    1.257 193 965075.773      1.430
-  38  116   78  194 Pt       -34760.070      0.496     7935.941    0.003 B-  -2548.134    2.117 193 962683.527      0.532
-  36  115   79  194 Au  +3n  -32211.936      2.118     7918.774    0.011 B-    -27.991    3.581 193 965419.062      2.273
-  34  114   80  194 Hg    x  -32183.945      2.888     7914.597    0.015 B-  -5246.454   14.268 193 965449.111      3.100
-  32  113   81  194 Tl    x  -26937.491     13.972     7883.520    0.072 B-  -2729.552   22.343 193 971081.411     15.000
-  30  112   82  194 Pb       -24207.940     17.435     7865.418    0.090 B-  -8179.128   18.498 193 974011.706     18.717
-  28  111   83  194 Bi   +a  -16028.811      6.178     7819.225    0.032 B-  -5024.156   14.313 193 982792.362      6.632
-  26  110   84  194 Po   -a  -11004.655     12.911     7789.294    0.067 B- -10284.492   28.076 193 988186.015     13.860
-  24  109   85  194 At   -a    -720.163     24.931     7732.249    0.129 B-  -6443.658   30.119 193 999226.872     26.764
-  22  108   86  194 Rn   -a    5723.495     16.899     7695.001    0.087 B-      *              194 006144.424     18.141
-0 47  121   74  195 W     x  -21010#       298#        7882#       2#    B-   4569#     422#    194 977445#       320#
-  45  120   75  195 Re    x  -25579#       298#        7902#       2#    B-   3933#     303#    194 972540#       320#
-  43  119   76  195 Os    x  -29511.593     55.890     7917.744    0.287 B-   2180.658   55.906 194 968318.000     60.000
-  41  118   77  195 Ir   -n  -31692.251      1.333     7924.915    0.007 B-   1101.598    1.264 194 965976.967      1.431
-  39  117   78  195 Pt       -32793.849      0.503     7926.552    0.003 B-   -226.817    1.000 194 964794.353      0.539
-  37  116   79  195 Au       -32567.031      1.119     7921.377    0.006 B-  -1553.638   23.156 194 965037.851      1.201
-  35  115   80  195 Hg       -31013.393     23.142     7909.397    0.119 B-  -2858.145   25.657 194 966705.751     24.843
-  33  114   81  195 Tl       -28155.248     11.093     7890.728    0.057 B-  -4447.555   21.106 194 969774.096     11.909
-  31  113   82  195 Pb       -23707.693     17.960     7863.908    0.092 B-  -5682.132   18.722 194 974548.743     19.280
-  29  112   83  195 Bi       -18025.561      5.287     7830.757    0.027 B-  -6969.303   37.737 194 980648.762      5.675
-  27  111   84  195 Po   -a  -11056.259     37.364     7791.005    0.192 B-  -7585.964   38.571 194 988130.617     40.112
-  25  110   85  195 At   -a   -3470.295      9.573     7748.091    0.049 B-  -8520.575   51.401 194 996274.485     10.276
-  23  109   86  195 Rn   -a    5050.281     50.502     7700.383    0.259 B-      *              195 005421.699     54.216
-0 48  122   74  196 W     x  -18880#       401#        7872#       2#    B-   3662#     499#    195 979731#       430#
-  46  121   75  196 Re    x  -22542#       298#        7887#       2#    B-   5735#     301#    195 975800#       320#
-  44  120   76  196 Os  +pp  -28277.105     40.055     7912.229    0.204 B-   1158.388   55.495 195 969643.277     43.000
-  42  119   77  196 Ir    +  -29435.493     38.414     7914.148    0.196 B-   3209.016   38.411 195 968399.696     41.239
-  40  118   78  196 Pt       -32644.510      0.510     7926.529    0.003 B-  -1505.803    2.960 195 964954.675      0.547
-  38  117   79  196 Au       -31138.706      2.962     7914.855    0.015 B-    687.235    3.118 195 966571.221      3.179
-  36  116   80  196 Hg       -31825.941      2.946     7914.369    0.015 B-  -4329.349   12.463 195 965833.444      3.163
-  34  115   81  196 Tl    x  -27496.592     12.109     7888.289    0.062 B-  -2148.280   14.356 195 970481.192     13.000
-  32  114   82  196 Pb       -25348.312      7.710     7873.337    0.039 B-  -7339.281   25.616 195 972787.466      8.277
-  30  113   83  196 Bi    x  -18009.031     24.428     7831.900    0.125 B-  -4535.989   27.916 195 980666.509     26.224
-  28  112   84  196 Po   -a  -13473.042     13.512     7804.766    0.069 B-  -9558.365   33.162 195 985536.094     14.506
-  26  111   85  196 At   -a   -3914.677     30.284     7752.007    0.155 B-  -5885.668   33.540 195 995797.421     32.511
-  24  110   86  196 Rn   -a    1970.991     14.417     7717.987    0.074 B-      *              196 002115.945     15.476
-0 49  123   74  197 W     x  -15140#       401#        7854#       2#    B-   5363#     499#    196 983747#       430#
-  47  122   75  197 Re    x  -20502#       298#        7878#       2#    B-   4807#     357#    196 977990#       320#
-  45  121   76  197 Os    x  -25309#       196#        7898#       1#    B-   2955#     197#    196 972830#       210#
-  43  120   77  197 Ir   +p  -28264.105     20.110     7908.999    0.102 B-   2155.645   20.106 196 969657.233     21.588
-  41  119   78  197 Pt       -30419.750      0.536     7915.971    0.003 B-    719.988    0.502 196 967343.053      0.575
-  39  118   79  197 Au       -31139.738      0.542     7915.654    0.003 B-   -599.509    3.202 196 966570.114      0.581
-  37  117   80  197 Hg       -30540.229      3.207     7908.640    0.016 B-  -2198.580   16.637 196 967213.713      3.442
-  35  116   81  197 Tl   +a  -28341.649     16.325     7893.508    0.083 B-  -3596.247   17.014 196 969573.986     17.526
-  33  115   82  197 Pb       -24745.401      4.804     7871.282    0.024 B-  -5058.210    9.619 196 973434.717      5.157
-  31  114   83  197 Bi   +a  -19687.191      8.333     7841.634    0.042 B-  -6329.202   50.373 196 978864.929      8.946
-  29  113   84  197 Po   -a  -13357.990     49.679     7805.535    0.252 B-  -7002.739   50.317 196 985659.607     53.332
-  27  112   85  197 At        -6355.250      7.983     7766.017    0.041 B-  -7865.603   18.054 196 993177.357      8.570
-  25  111   86  197 Rn   -a    1510.353     16.193     7722.118    0.082 B-  -8743.618   56.762 197 001621.430     17.383
-  23  110   87  197 Fr   -a   10253.971     54.404     7673.763    0.276 B-      *              197 011008.090     58.404
-0 48  123   75  198 Re    x  -17139#       401#        7862#       2#    B-   6697#     446#    197 981600#       430#
-  46  122   76  198 Os    x  -23837#       196#        7891#       1#    B-   1984#     277#    197 974410#       210#
-  44  121   77  198 Ir    x  -25821#       196#        7897#       1#    B-   4083#     196#    197 972280#       210#
-  42  120   78  198 Pt       -29903.999      2.100     7914.150    0.011 B-   -323.219    2.059 197 967896.734      2.254
-  40  119   79  198 Au       -29580.781      0.540     7908.567    0.003 B-   1373.530    0.490 197 968243.724      0.579
-  38  118   80  198 Hg       -30954.310      0.458     7911.552    0.002 B-  -3425.564    7.559 197 966769.179      0.491
-  36  117   81  198 Tl    x  -27528.746      7.545     7890.300    0.038 B-  -1461.257   11.554 197 970446.673      8.100
-  34  116   82  198 Pb       -26067.489      8.750     7878.969    0.044 B-  -6698.003   29.283 197 972015.397      9.393
-  32  115   83  198 Bi    x  -19369.486     27.945     7841.189    0.141 B-  -3896.134   32.932 197 979206.000     30.000
-  30  114   84  198 Po       -15473.352     17.424     7817.561    0.088 B-  -8758.839   18.386 197 983388.672     18.705
-  28  113   85  198 At    x   -6714.513      5.868     7769.373    0.030 B-  -5484.155   14.647 197 992791.673      6.300
-  26  112   86  198 Rn   -a   -1230.358     13.420     7737.724    0.068 B- -10804.382   34.905 197 998679.156     14.406
-  24  111   87  198 Fr   -a    9574.024     32.222     7679.205    0.163 B-      *              198 010278.138     34.591
-0 49  124   75  199 Re    x  -14860#       401#        7851#       2#    B-   5623#     446#    198 984047#       430#
-  47  123   76  199 Os    x  -20484#       196#        7875#       1#    B-   3915#     200#    198 978010#       210#
-  45  122   77  199 Ir p-2n  -24398.515     41.054     7891.206    0.206 B-   2990.167   41.003 198 973807.115     44.073
-  43  121   78  199 Pt   -n  -27388.682      2.159     7902.300    0.011 B-   1705.059    2.120 198 970597.038      2.317
-  41  120   79  199 Au       -29093.741      0.542     7906.937    0.003 B-    452.327    0.613 198 968766.582      0.581
-  39  119   80  199 Hg       -29546.068      0.526     7905.279    0.003 B-  -1486.674   27.950 198 968280.989      0.564
-  37  118   81  199 Tl    x  -28059.394     27.945     7893.877    0.140 B-  -2827.589   29.679 198 969877.000     30.000
-  35  117   82  199 Pb   +a  -25231.804      9.996     7875.736    0.050 B-  -4434.239   14.547 198 972912.542     10.730
-  33  116   83  199 Bi       -20797.566     10.568     7849.522    0.053 B-  -5589.083   20.919 198 977672.893     11.345
-  31  115   84  199 Po   -a  -15208.483     18.060     7817.505    0.091 B-  -6385.111   18.845 198 983673.021     19.387
-  29  114   85  199 At        -8823.372      5.384     7781.488    0.027 B-  -7323.921   37.972 198 990527.719      5.780
-  27  113   86  199 Rn   -a   -1499.451     37.588     7740.753    0.189 B-  -8270.844   40.015 198 998390.273     40.352
-  25  112   87  199 Fr   -a    6771.393     13.726     7695.259    0.069 B-      *              199 007269.389     14.734
-0 48  124   76  200 Os    x  -18779#       298#        7868#       1#    B-   2832#     357#    199 979840#       320#
-  46  123   77  200 Ir    x  -21611#       196#        7878#       1#    B-   4988#     197#    199 976800#       210#
-  44  122   78  200 Pt  -nn  -26599.160     20.110     7899.198    0.101 B-    640.932   33.439 199 971444.625     21.588
-  42  121   79  200 Au       -27240.092     26.717     7898.491    0.134 B-   2263.178   26.719 199 970756.556     28.681
-  40  120   80  200 Hg       -29503.270      0.529     7905.895    0.003 B-  -2456.040    5.735 199 968326.934      0.568
-  38  119   81  200 Tl    -  -27047.230      5.759     7889.703    0.029 B-   -796.176   12.340 199 970963.602      6.182
-  36  118   82  200 Pb   4n  -26251.054     10.927     7881.810    0.055 B-  -5880.299   24.852 199 971818.332     11.730
-  34  117   83  200 Bi   +a  -20370.755     22.321     7848.497    0.112 B-  -3428.994   23.573 199 978131.093     23.962
-  32  116   84  200 Po       -16941.761      7.579     7827.440    0.038 B-  -7953.869   25.612 199 981812.270      8.135
-  30  115   85  200 At   -a   -8987.892     24.465     7783.759    0.122 B-  -4983.127   28.030 199 990351.100     26.264
-  28  114   86  200 Rn   -a   -4004.765     13.681     7754.932    0.068 B- -10137.263   33.529 199 995700.707     14.686
-  26  113   87  200 Fr   -a    6132.498     30.611     7700.334    0.153 B-      *              200 006583.507     32.861
-0 49  125   76  201 Os    x  -15239#       298#        7851#       1#    B-   4657#     357#    200 983640#       320#
-  47  124   77  201 Ir    x  -19897#       196#        7871#       1#    B-   3844#     202#    200 978640#       210#
-  45  123   78  201 Pt    +  -23740.714     50.103     7885.833    0.249 B-   2660.000   50.000 200 974513.293     53.788
-  43  122   79  201 Au       -26400.714      3.218     7895.175    0.016 B-   1261.827    3.147 200 971657.665      3.454
-  41  121   80  201 Hg       -27662.542      0.711     7897.560    0.004 B-   -481.704   14.181 200 970303.038      0.763
-  39  120   81  201 Tl       -27180.838     14.185     7891.271    0.071 B-  -1909.802   18.530 200 970820.168     15.228
-  37  119   82  201 Pb       -25271.036     13.747     7877.877    0.068 B-  -3854.603   20.481 200 972870.425     14.758
-  35  118   83  201 Bi   +a  -21416.433     15.183     7854.808    0.076 B-  -4895.248   15.962 200 977008.512     16.299
-  33  117   84  201 Po       -16521.185      4.942     7826.561    0.025 B-  -5731.747    9.561 200 982263.777      5.305
-  31  116   85  201 At   +a  -10789.438      8.184     7794.153    0.041 B-  -6717.113   50.401 200 988417.061      8.786
-  29  115   86  201 Rn   -a   -4072.324     49.732     7756.842    0.247 B-  -7660.902   50.554 200 995628.179     53.389
-  27  114   87  201 Fr   -a    3588.577      9.080     7714.836    0.045 B-  -8348.224   22.239 201 003852.496      9.747
-  25  113   88  201 Ra   -a   11936.801     20.301     7669.410    0.101 B-      *              201 012814.683     21.794
-0 50  126   76  202 Os    x  -13087#       401#        7842#       2#    B-   3689#     499#    201 985950#       430#
-  48  125   77  202 Ir    x  -16776#       298#        7856#       1#    B-   5916#     299#    201 981990#       320#
-  46  124   78  202 Pt    x  -22692.125     25.150     7881.560    0.125 B-   1660.854   34.276 201 975639.000     27.000
-  44  123   79  202 Au    x  -24352.979     23.287     7885.909    0.115 B-   2992.345   23.298 201 973856.000     25.000
-  42  122   80  202 Hg       -27345.324      0.705     7896.850    0.003 B-  -1365.108    1.636 201 970643.585      0.756
-  40  121   81  202 Tl       -25980.216      1.606     7886.219    0.008 B-    -39.602    4.096 201 972109.089      1.723
-  38  120   82  202 Pb       -25940.614      3.796     7882.150    0.019 B-  -5199.130   15.856 201 972151.604      4.075
-  36  119   83  202 Bi       -20741.484     15.396     7852.539    0.076 B-  -2799.868   17.666 201 977733.100     16.528
-  34  118   84  202 Po       -17941.616      8.670     7834.805    0.043 B-  -7350.884   29.289 201 980738.881      9.307
-  32  117   85  202 At   -a  -10590.732     27.977     7794.541    0.138 B-  -4316.097   33.010 201 988630.380     30.034
-  30  116   86  202 Rn   -a   -6274.635     17.520     7769.301    0.087 B-  -9370.871   18.881 201 993263.902     18.808
-  28  115   87  202 Fr   -a    3096.237      7.040     7719.038    0.035 B-  -5978.625   16.586 202 003323.946      7.557
-  26  114   88  202 Ra   -a    9074.861     15.018     7685.568    0.074 B-      *              202 009742.264     16.122
-0 51  127   76  203 Os    x   -7640#       401#        7816#       2#    B-   7050#     566#    202 991798#       430#
-  49  126   77  203 Ir    x  -14690#       401#        7847#       2#    B-   4937#     446#    202 984230#       430#
-  47  125   78  203 Pt    x  -19627#       196#        7867#       1#    B-   3517#     196#    202 978930#       210#
-  45  124   79  203 Au       -23143.436      3.083     7880.864    0.015 B-   2125.829    3.451 202 975154.498      3.309
-  43  123   80  203 Hg       -25269.265      1.627     7887.482    0.008 B-    492.112    1.225 202 972872.326      1.746
-  41  122   81  203 Tl       -25761.377      1.166     7886.053    0.006 B-   -974.820    6.461 202 972344.022      1.252
-  39  121   82  203 Pb       -24786.557      6.554     7877.397    0.032 B-  -3261.729   14.356 202 973390.535      7.036
-  37  120   83  203 Bi   +a  -21524.827     12.778     7857.475    0.063 B-  -4213.939   15.433 202 976892.145     13.717
-  35  119   84  203 Po   +a  -17310.889      8.655     7832.863    0.043 B-  -5148.332   13.666 202 981415.995      9.291
-  33  118   85  203 At       -12162.557     10.576     7803.648    0.052 B-  -6008.858   21.027 202 986942.957     11.353
-  31  117   86  203 Rn   -a   -6153.699     18.179     7770.193    0.090 B-  -7030.116   19.218 202 993393.732     19.516
-  29  116   87  203 Fr          876.417      6.232     7731.708    0.031 B-  -7785.309   38.630 203 000940.872      6.689
-  27  115   88  203 Ra   -a    8661.726     38.124     7689.503    0.188 B-      *              203 009298.745     40.928
-0 50  127   77  204 Ir    x   -9688#       401#        7824#       2#    B-   8234#     446#    203 989600#       430#
-  48  126   78  204 Pt    x  -17922#       196#        7860#       1#    B-   2728#     280#    203 980760#       210#
-  46  125   79  204 Au    +  -20650#       200#        7870#       1#    B-   4040#     200#    203 977831#       215#
-  44  124   80  204 Hg       -24690.145      0.498     7885.545    0.002 B-   -344.000    1.186 203 973494.037      0.534
-  42  123   81  204 Tl       -24346.145      1.152     7880.023    0.006 B-    763.748    0.177 203 973863.337      1.236
-  40  122   82  204 Pb       -25109.892      1.146     7879.932    0.006 B-  -4463.996    9.248 203 973043.420      1.230
-  38  121   83  204 Bi   +a  -20645.896      9.180     7854.215    0.045 B-  -2304.652   14.335 203 977835.717      9.854
-  36  120   84  204 Po   -a  -18341.244     11.013     7839.083    0.054 B-  -6465.811   24.860 203 980309.863     11.822
-  34  119   85  204 At       -11875.433     22.288     7803.552    0.109 B-  -3905.240   23.498 203 987251.197     23.926
-  32  118   86  204 Rn        -7970.193      7.444     7780.574    0.036 B-  -8577.503   25.684 203 991443.644      7.991
-  30  117   87  204 Fr   -a     607.310     24.581     7734.692    0.120 B-  -5449.477   28.940 204 000651.974     26.389
-  28  116   88  204 Ra   -a    6056.787     15.273     7704.144    0.075 B-      *              204 006502.228     16.396
-0 51  128   77  205 Ir    x   -5960#       503#        7807#       2#    B-   7007#     585#    204 993602#       540#
-  49  127   78  205 Pt    x  -12966#       298#        7837#       1#    B-   5803#     357#    204 986080#       320#
-  47  126   79  205 Au    x  -18770#       196#        7861#       1#    B-   3518#     196#    204 979850#       210#
-  45  125   80  205 Hg       -22287.740      3.654     7874.732    0.018 B-   1533.135    3.724 204 976073.125      3.923
-  43  124   81  205 Tl       -23820.874      1.237     7878.394    0.006 B-    -50.636    0.503 204 974427.237      1.328
-  41  123   82  205 Pb       -23770.239      1.144     7874.331    0.006 B-  -2705.734    5.107 204 974481.597      1.228
-  39  122   83  205 Bi       -21064.504      5.111     7857.316    0.025 B-  -3543.106   11.280 204 977386.323      5.487
-  37  121   84  205 Po       -17521.398     10.059     7836.216    0.049 B-  -4549.452   18.130 204 981190.004     10.798
-  35  120   85  205 At   +a  -12971.946     15.085     7810.207    0.074 B-  -5262.161   15.913 204 986074.041     16.194
-  33  119   86  205 Rn        -7709.786      5.080     7780.722    0.025 B-  -6399.973    9.329 204 991723.204      5.453
-  31  118   87  205 Fr    x   -1309.813      7.824     7745.686    0.038 B-  -7148.804   70.954 204 998593.858      8.399
-  29  117   88  205 Ra   -a    5838.991     70.521     7706.998    0.344 B-  -8267.702   86.923 205 006268.415     75.707
-  27  116   89  205 Ac   -a   14106.693     50.818     7662.851    0.248 B-      *              205 015144.158     54.555
-0 50  128   78  206 Pt    x   -9632#       298#        7822#       1#    B-   4583#     422#    205 989660#       320#
-  48  127   79  206 Au    x  -14215#       298#        7840#       1#    B-   6731#     299#    205 984740#       320#
-  46  126   80  206 Hg   +a  -20945.801     20.440     7869.172    0.099 B-   1307.566   20.410 205 977513.756     21.943
-  44  125   81  206 Tl       -22253.367      1.284     7871.721    0.006 B-   1532.217    0.612 205 976110.026      1.378
-  42  124   82  206 Pb       -23785.584      1.144     7875.362    0.006 B-  -3757.306    7.546 205 974465.124      1.227
-  40  123   83  206 Bi    -  -20028.278      7.632     7853.324    0.037 B-  -1839.604    8.600 205 978498.757      8.193
-  38  122   84  206 Po   -a  -18188.674      4.012     7840.597    0.019 B-  -5758.956   15.580 205 980473.654      4.306
-  36  121   85  206 At       -12429.718     15.056     7808.843    0.073 B-  -3296.753   17.330 205 986656.148     16.162
-  34  120   86  206 Rn        -9132.965      8.591     7789.041    0.042 B-  -7890.549   29.475 205 990195.358      9.223
-  32  119   87  206 Fr   -a   -1242.416     28.195     7746.940    0.137 B-  -4807.955   33.455 205 998666.211     30.268
-  30  118   88  206 Ra   -a    3565.539     18.008     7719.802    0.087 B-  -9913.913   53.608 206 003827.763     19.332
-  28  117   89  206 Ac   -a   13479.452     50.493     7667.879    0.245 B-      *              206 014470.787     54.206
-0 51  129   78  207 Pt    x   -4540#       401#        7798#       2#    B-   6270#     500#    206 995126#       430#
-  49  128   79  207 Au    x  -10810#       300#        7825#       1#    B-   5677#     301#    206 988395#       322#
-  47  127   80  207 Hg    x  -16487.444     29.808     7848.610    0.144 B-   4547.008   30.300 206 982300.000     32.000
-  45  126   81  207 Tl       -21034.451      5.439     7866.797    0.026 B-   1417.595    5.402 206 977418.586      5.839
-  43  125   82  207 Pb       -22452.047      1.147     7869.866    0.006 B-  -2397.420    2.118 206 975896.735      1.230
-  41  124   83  207 Bi       -20054.627      2.397     7854.505    0.012 B-  -2908.852    6.614 206 978470.471      2.573
-  39  123   84  207 Po       -17145.775      6.659     7836.673    0.032 B-  -3918.358   14.075 206 981593.252      7.148
-  37  122   85  207 At   +a  -13227.416     12.406     7813.964    0.060 B-  -4592.654   15.037 206 985799.783     13.318
-  35  121   86  207 Rn   +a   -8634.762      8.497     7787.998    0.041 B-  -5790.421   19.458 206 990730.200      9.121
-  33  120   87  207 Fr        -2844.341     17.505     7756.246    0.085 B-  -6388.826   56.008 206 996946.474     18.792
-  31  119   88  207 Ra   -a    3544.485     53.202     7721.602    0.257 B-  -7601.748   73.276 207 003805.161     57.115
-  29  118   89  207 Ac   -a   11146.233     50.387     7681.099    0.243 B-      *              207 011965.973     54.092
-0 52  130   78  208 Pt    x    -990#       400#        7783#       2#    B-   5111#     499#    207 998937#       429#
-  50  129   79  208 Au    x   -6101#       298#        7804#       1#    B-   7164#     300#    207 993450#       320#
-  48  128   80  208 Hg    x  -13265.406     30.739     7834.191    0.148 B-   3484.726   30.795 207 985759.000     33.000
-  46  127   81  208 Tl   +a  -16750.132      1.854     7847.183    0.009 B-   4998.466    1.669 207 982017.992      1.990
-  44  126   82  208 Pb       -21748.598      1.148     7867.453    0.006 B-  -2878.375    2.013 207 976651.918      1.231
-  42  125   83  208 Bi   +n  -18870.223      2.304     7849.853    0.011 B-  -1400.628    2.397 207 979741.981      2.473
-  40  124   84  208 Po   -a  -17469.596      1.737     7839.358    0.008 B-  -4999.725    9.086 207 981245.616      1.864
-  38  123   85  208 At   +a  -12469.871      8.921     7811.560    0.043 B-  -2814.279   14.269 207 986613.042      9.577
-  36  122   86  208 Rn   -a   -9655.591     11.138     7794.268    0.054 B-  -6989.672   16.251 207 989634.295     11.957
-  34  121   87  208 Fr        -2665.919     11.834     7756.903    0.057 B-  -4393.774   14.881 207 997138.018     12.704
-  32  120   88  208 Ra   -a    1727.856      9.023     7732.017    0.043 B-  -9025.380   56.442 208 001854.929      9.686
-  30  119   89  208 Ac   -a   10753.235     55.716     7684.865    0.268 B-  -5930.495   65.370 208 011544.073     59.813
-  28  118   90  208 Th   -a   16683.730     34.190     7652.592    0.164 B-      *              208 017910.722     36.704
-0 51  130   79  209 Au    x   -2540#       400#        7788#       2#    B-   6104#     426#    208 997273#       429#
-  49  129   80  209 Hg    x   -8644#       149#        7813#       1#    B-   5000#     149#    208 990720#       160#
-  47  128   81  209 Tl   +a  -13644.757      6.110     7833.397    0.029 B-   3969.889    6.211 208 985351.750      6.559
-  45  127   82  209 Pb       -17614.646      1.747     7848.648    0.008 B-    644.016    1.146 208 981089.898      1.875
-  43  126   83  209 Bi       -18258.662      1.364     7847.987    0.007 B-  -1892.570    1.564 208 980398.519      1.464
-  41  125   84  209 Po   -a  -16366.092      1.778     7835.188    0.009 B-  -3483.478    5.287 208 982430.276      1.908
-  39  124   85  209 At       -12882.613      5.102     7814.777    0.024 B-  -3941.564   11.188 208 986169.944      5.477
-  37  123   86  209 Rn        -8941.049      9.960     7792.175    0.048 B-  -5171.477   17.713 208 990401.388     10.692
-  35  122   87  209 Fr    x   -3769.572     14.648     7763.688    0.070 B-  -5627.791   15.730 208 995953.197     15.725
-  33  121   88  209 Ra   -a    1858.219      5.747     7733.017    0.027 B-  -6985.590   50.934 209 001994.879      6.169
-  31  120   89  209 Ac   -a    8843.809     50.608     7695.850    0.242 B-  -7523#     148#    209 009494.220     54.330
-  29  119   90  209 Th   IT   16367#       140#        7656#       1#    B-      *              209 017571#       150#
-0 52  131   79  210 Au    x    2329#       401#        7766#       2#    B-   7694#     446#    210 002500#       430#
-  50  130   80  210 Hg    x   -5365#       196#        7799#       1#    B-   3882#     196#    209 994240#       210#
-  48  129   81  210 Tl   +a   -9246.969     11.604     7813.588    0.055 B-   5481.534   11.561 209 990072.970     12.456
-  46  128   82  210 Pb       -14728.502      1.447     7835.965    0.007 B-     63.476    0.499 209 984188.301      1.553
-  44  127   83  210 Bi       -14791.979      1.363     7832.542    0.006 B-   1161.159    0.766 209 984120.156      1.462
-  42  126   84  210 Po       -15953.137      1.146     7834.346    0.005 B-  -3980.960    7.610 209 982873.601      1.230
-  40  125   85  210 At   -a  -11972.177      7.695     7811.663    0.037 B-  -2367.407    8.922 209 987147.338      8.261
-  38  124   86  210 Rn   -a   -9604.770      4.557     7796.665    0.022 B-  -6271.565   15.824 209 989688.854      4.892
-  36  123   87  210 Fr        -3333.205     15.154     7763.075    0.072 B-  -3775.997   17.720 209 996421.657     16.268
-  34  122   88  210 Ra   -a     442.792      9.193     7741.368    0.044 B-  -8346.908   58.133 210 000475.356      9.868
-  32  121   89  210 Ac   -a    8789.699     57.402     7697.896    0.273 B-  -5269.747   60.436 210 009436.130     61.623
-  30  120   90  210 Th   -a   14059.446     18.909     7669.076    0.090 B-      *              210 015093.437     20.299
-0 51  131   80  211 Hg    x    -624#       196#        7778#       1#    B-   5454#     200#    210 999330#       210#
-  49  130   81  211 Tl    x   -6077.998     41.917     7799.791    0.199 B-   4414.950   41.978 210 993475.000     45.000
-  47  129   82  211 Pb       -10492.948      2.261     7817.007    0.011 B-   1366.183    5.471 210 988735.356      2.426
-  45  128   83  211 Bi       -11859.131      5.442     7819.774    0.026 B-    573.439    5.430 210 987268.698      5.842
-  43  127   84  211 Po   -a  -12432.571      1.255     7818.784    0.006 B-   -785.307    2.539 210 986653.085      1.347
-  41  126   85  211 At   -a  -11647.264      2.729     7811.354    0.013 B-  -2891.860    6.894 210 987496.147      2.929
-  39  125   86  211 Rn   -a   -8755.404      6.813     7793.941    0.032 B-  -4615.155   13.786 210 990600.686      7.314
-  37  124   87  211 Fr        -4140.249     11.991     7768.360    0.057 B-  -4972.272   14.369 210 995555.259     12.872
-  35  123   88  211 Ra    x     832.023      7.918     7741.087    0.038 B-  -6370.191   53.564 211 000893.213      8.500
-  33  122   89  211 Ac   -a    7202.214     52.976     7707.189    0.251 B-  -6707.958   90.205 211 007731.894     56.871
-  31  121   90  211 Th   -a   13910.171     73.010     7671.690    0.346 B-  -8170#     126#    211 014933.183     78.379
-  29  120   91  211 Pa    x   22080#       102#        7629#       0#    B-      *              211 023704#       110#
-0 52  132   80  212 Hg    x    2757#       298#        7763#       1#    B-   4308#     359#    212 002960#       320#
-  50  131   81  212 Tl   +a   -1551#       200#        7780#       1#    B-   5998#     200#    211 998335#       215#
-  48  130   82  212 Pb        -7548.850      1.842     7804.319    0.009 B-    569.104    1.825 211 991895.975      1.977
-  46  129   83  212 Bi        -8117.954      1.854     7803.313    0.009 B-   2251.533    1.667 211 991285.016      1.989
-  44  128   84  212 Po       -10369.487      1.152     7810.243    0.005 B-  -1741.266    2.107 211 988867.896      1.236
-  42  127   85  212 At   -a   -8628.221      2.384     7798.340    0.011 B-     31.387    3.605 211 990737.223      2.559
-  40  126   86  212 Rn   -a   -8659.608      3.145     7794.797    0.015 B-  -5143.640    9.318 211 990703.528      3.376
-  38  125   87  212 Fr        -3515.968      8.775     7766.845    0.041 B-  -3317.000   14.276 211 996225.453      9.420
-  36  124   88  212 Ra   -a    -198.968     11.263     7747.508    0.053 B-  -7476.266   52.601 211 999786.399     12.091
-  34  123   89  212 Ac   -a    7277.298     51.381     7708.552    0.242 B-  -4833.510   52.366 212 007812.501     55.160
-  32  122   90  212 Th   -a   12110.808     10.109     7682.062    0.048 B-  -9482.551   75.541 212 013001.487     10.852
-  30  121   91  212 Pa   -a   21593.358     74.862     7633.643    0.353 B-      *              212 023181.425     80.367
-0 53  133   80  213 Hg    x    7666#       298#        7741#       1#    B-   5882#     299#    213 008230#       320#
-  51  132   81  213 Tl    x    1783.811     27.013     7765.430    0.127 B-   4987.343   27.894 213 001915.000     29.000
-  49  131   82  213 Pb   +a   -3203.532      6.954     7785.172    0.033 B-   2028.103    8.371 212 996560.867      7.465
-  47  130   83  213 Bi        -5231.635      5.082     7791.021    0.024 B-   1421.949    5.490 212 994383.608      5.456
-  45  129   84  213 Po        -6653.584      3.053     7794.024    0.014 B-    -73.989    5.465 212 992857.083      3.277
-  43  128   85  213 At   -a   -6579.595      4.898     7790.003    0.023 B-   -883.569    5.724 212 992936.514      5.257
-  41  127   86  213 Rn   -a   -5696.026      3.370     7782.182    0.016 B-  -2143.179    6.006 212 993885.064      3.617
-  39  126   87  213 Fr        -3552.848      5.091     7768.447    0.024 B-  -3898.405   11.057 212 996185.861      5.465
-  37  125   88  213 Ra          345.557      9.818     7746.472    0.046 B-  -5809.134   18.156 213 000370.970     10.540
-  35  124   89  213 Ac   -a    6154.692     15.272     7715.526    0.072 B-  -5965.394   17.834 213 006607.333     16.395
-  33  123   90  213 Th   -a   12120.086      9.217     7683.846    0.043 B-  -7542.539   71.737 213 013011.447      9.895
-  31  122   91  213 Pa   -a   19662.625     71.142     7644.762    0.334 B-      *              213 021108.697     76.374
-0 54  134   80  214 Hg    x   11178#       401#        7727#       2#    B-   4713#     446#    214 012000#       430#
-  52  133   81  214 Tl    x    6465#       196#        7745#       1#    B-   6647#     196#    214 006940#       210#
-  50  132   82  214 Pb         -182.769      1.975     7772.394    0.009 B-   1017.984   11.256 213 999803.788      2.120
-  48  131   83  214 Bi        -1200.753     11.209     7773.495    0.052 B-   3269.293   11.165 213 998710.938     12.033
-  46  130   84  214 Po        -4470.046      1.449     7785.116    0.007 B-  -1090.215    4.107 213 995201.208      1.555
-  44  129   85  214 At   -a   -3379.831      4.298     7776.366    0.020 B-    939.911   10.014 213 996371.601      4.614
-  42  128   86  214 Rn   -a   -4319.742      9.187     7777.102    0.043 B-  -3361.035   12.503 213 995362.566      9.862
-  40  127   87  214 Fr   -a    -958.707      8.634     7757.740    0.040 B-  -1051.441   10.086 213 998970.785      9.268
-  38  126   88  214 Ra   -a      92.734      5.250     7749.171    0.025 B-  -6351.120   16.232 214 000099.554      5.636
-  36  125   89  214 Ac   -a    6443.854     15.360     7715.837    0.072 B-  -4251.030   18.693 214 006917.762     16.489
-  34  124   90  214 Th   -a   10694.885     10.661     7692.317    0.050 B-  -8790.630   76.867 214 011481.431     11.445
-  32  123   91  214 Pa   -a   19485.515     76.125     7647.583    0.356 B-      *              214 020918.561     81.723
-0 55  135   80  215 Hg    x   16208#       401#        7705#       2#    B-   6297#     499#    215 017400#       430#
-  53  134   81  215 Tl    x    9911#       298#        7730#       1#    B-   5569#     303#    215 010640#       320#
-  51  133   82  215 Pb   +a    4342.244     52.448     7752.737    0.244 B-   2712.922   52.748 215 004661.590     56.304
-  49  132   83  215 Bi         1629.322      5.624     7761.717    0.026 B-   2171.028    5.530 215 001749.149      6.037
-  47  131   84  215 Po         -541.706      2.121     7768.176    0.010 B-    714.049    6.819 214 999418.454      2.276
-  45  130   85  215 At   -a   -1255.756      6.799     7767.858    0.032 B-    -87.195   10.168 214 998651.890      7.299
-  43  129   86  215 Rn   -a   -1168.561      7.672     7763.814    0.036 B-  -1486.625   10.306 214 998745.498      8.236
-  41  128   87  215 Fr   -a     318.065      7.066     7753.260    0.033 B-  -2215.674   10.077 215 000341.456      7.585
-  39  127   88  215 Ra   -a    2533.739      7.613     7739.316    0.035 B-  -3496.877   14.551 215 002720.080      8.172
-  37  126   89  215 Ac   -a    6030.615     12.406     7719.413    0.058 B-  -4890.971   15.234 215 006474.132     13.318
-  35  125   90  215 Th   -a   10921.586      8.840     7693.025    0.041 B-  -6942.353   73.380 215 011724.805      9.490
-  33  124   91  215 Pa   -a   17863.939     72.845     7657.096    0.339 B-  -7059.147  114.616 215 019177.728     78.202
-  31  123   92  215 U    -a   24923.087     88.490     7620.624    0.412 B-      *              215 026756.035     94.997
-0 56  136   80  216 Hg    x   19859#       401#        7690#       2#    B-   5142#     499#    216 021320#       430#
-  54  135   81  216 Tl    x   14718#       298#        7710#       1#    B-   7238#     357#    216 015800#       320#
-  52  134   82  216 Pb    x    7480#       196#        7740#       1#    B-   1606#     196#    216 008030#       210#
-  50  133   83  216 Bi    x    5873.991     11.178     7743.499    0.052 B-   4091.571   11.324 216 006305.989     12.000
-  48  132   84  216 Po         1782.420      1.816     7758.819    0.008 B-   -474.246    3.571 216 001913.506      1.949
-  46  131   85  216 At   -a    2256.666      3.575     7753.002    0.017 B-   2003.799    6.836 216 002422.631      3.837
-  44  130   86  216 Rn   -a     252.868      5.994     7758.657    0.028 B-  -2718.082    7.126 216 000271.464      6.435
-  42  129   87  216 Fr   -a    2970.950      4.173     7742.451    0.019 B-   -320.128    9.548 216 003189.445      4.480
-  40  128   88  216 Ra   -a    3291.077      8.737     7737.347    0.040 B-  -4853.317   13.921 216 003533.117      9.379
-  38  127   89  216 Ac   -a    8144.395     10.840     7711.256    0.050 B-  -2153.937   16.201 216 008743.367     11.637
-  36  126   90  216 Th   -a   10298.332     12.042     7697.662    0.056 B-  -7500.882   54.864 216 011055.714     12.928
-  34  125   91  216 Pa   -a   17799.214     53.526     7659.314    0.248 B-  -5267.137   60.450 216 019108.242     57.462
-  32  124   92  216 U    -a   23066.351     28.093     7631.307    0.130 B-      *              216 024762.747     30.158
-0 55  136   81  217 Tl    x   18313#       401#        7695#       2#    B-   6073#     499#    217 019660#       430#
-  53  135   82  217 Pb    x   12240#       298#        7719#       1#    B-   3510#     299#    217 013140#       320#
-  51  134   83  217 Bi    x    8729.962     17.698     7731.848    0.082 B-   2846.444   18.870 217 009372.000     19.000
-  49  133   84  217 Po   +a    5883.518      6.544     7741.360    0.030 B-   1488.883    7.979 217 006316.216      7.025
-  47  132   85  217 At         4394.635      5.001     7744.616    0.023 B-    736.135    6.151 217 004717.835      5.369
-  45  131   86  217 Rn   -a    3658.501      4.198     7744.403    0.019 B-   -656.089    7.538 217 003927.562      4.506
-  43  130   87  217 Fr   -a    4314.590      6.531     7737.775    0.030 B-  -1575.067    9.588 217 004631.902      7.010
-  41  129   88  217 Ra   -a    5889.656      7.202     7726.911    0.033 B-  -2814.017   13.430 217 006322.806      7.731
-  39  128   89  217 Ac   -a    8703.673     11.389     7710.338    0.052 B-  -3502.107   15.566 217 009343.777     12.226
-  37  127   90  217 Th   -a   12205.780     10.614     7690.594    0.049 B-  -4862.630   19.132 217 013103.444     11.394
-  35  126   91  217 Pa   -a   17068.410     15.918     7664.580    0.073 B-  -5905#      73#    217 018323.692     17.089
-  33  125   92  217 U    -a   22973#        71#        7634#       0#    B-      *              217 024663#        77#
-0 56  137   81  218 Tl    x   23180#       400#        7674#       2#    B-   7727#     499#    218 024885#       429#
-  54  136   82  218 Pb    x   15453#       298#        7706#       1#    B-   2237#     299#    218 016590#       320#
-  52  135   83  218 Bi    x   13216.037     27.013     7712.827    0.124 B-   4859.136   27.085 218 014188.000     29.000
-  50  134   84  218 Po         8356.901      1.973     7731.528    0.009 B-    258.738   11.649 218 008971.502      2.118
-  48  133   85  218 At   -a    8098.162     11.604     7729.126    0.053 B-   2880.816   11.705 218 008693.735     12.456
-  46  132   86  218 Rn         5217.347      2.316     7738.752    0.011 B-  -1841.770    4.942 218 005601.052      2.486
-  44  131   87  218 Fr   -a    7059.117      4.757     7726.715    0.022 B-    407.947   12.039 218 007578.274      5.106
-  42  130   88  218 Ra   -a    6651.170     11.176     7724.998    0.051 B-  -4192.439   51.931 218 007140.325     11.997
-  40  129   89  218 Ac   -a   10843.609     50.740     7702.177    0.233 B-  -1523.132   51.815 218 011641.093     54.471
-  38  128   90  218 Th   -a   12366.741     10.516     7691.602    0.048 B-  -6317.029   21.130 218 013276.242     11.289
-  36  127   91  218 Pa   -a   18683.770     18.329     7659.036    0.084 B-  -3210.838   22.888 218 020057.853     19.676
-  34  126   92  218 U    -a   21894.608     13.714     7640.719    0.063 B-      *              218 023504.829     14.722
-0 55  137   82  219 Pb    x   20279#       401#        7686#       2#    B-   3996#     446#    219 021770#       430#
-  53  136   83  219 Bi    x   16283#       196#        7700#       1#    B-   3601#     196#    219 017480#       210#
-  51  135   84  219 Po    x   12681.359     15.835     7713.333    0.072 B-   2285.283   16.163 219 013614.000     17.000
-  49  134   85  219 At        10396.076      3.237     7720.196    0.015 B-   1566.675    2.947 219 011160.647      3.474
-  47  133   86  219 Rn         8829.402      2.100     7723.777    0.010 B-    211.635    7.058 219 009478.753      2.254
-  45  132   87  219 Fr   -a    8617.767      7.039     7721.171    0.032 B-   -776.515   10.772 219 009251.553      7.556
-  43  131   88  219 Ra   -a    9394.282      8.258     7714.053    0.038 B-  -2175.199   51.142 219 010085.176      8.865
-  41  130   89  219 Ac   -a   11569.480     50.497     7700.549    0.231 B-  -2901.910   71.425 219 012420.348     54.210
-  39  129   90  219 Th   -a   14471.390     50.576     7683.725    0.231 B-  -4068.741   72.192 219 015535.677     54.295
-  37  128   91  219 Pa   -a   18540.131     51.516     7661.574    0.235 B-  -4746.439   72.333 219 019903.650     55.304
-  35  127   92  219 U    -a   23286.569     50.775     7636.329    0.232 B-  -6170.086  101.905 219 024999.161     54.509
-  33  126   93  219 Np   -a   29456.655     88.354     7604.583    0.403 B-      *              219 031623.021     94.851
-0 56  138   82  220 Pb    x   23669#       401#        7672#       2#    B-   2850#     499#    220 025410#       430#
-  54  137   83  220 Bi    x   20819#       298#        7682#       1#    B-   5555#     299#    220 022350#       320#
-  52  136   84  220 Po    x   15263.461     17.698     7703.224    0.080 B-    887.714   22.549 220 016386.000     19.000
-  50  135   85  220 At    x   14375.747     13.972     7703.703    0.064 B-   3763.670   14.090 220 015433.000     15.000
-  48  134   86  220 Rn        10612.077      1.815     7717.254    0.008 B-   -870.242    4.026 220 011392.534      1.948
-  46  133   87  220 Fr   -a   11482.320      4.028     7709.742    0.018 B-   1212.075    9.061 220 012326.778      4.324
-  44  132   88  220 Ra   -a   10270.245      8.237     7711.696    0.037 B-  -3473.437   10.141 220 011025.562      8.843
-  42  131   89  220 Ac   -a   13743.682      6.129     7692.351    0.028 B-   -925.417   22.941 220 014754.450      6.579
-  40  130   90  220 Th   -a   14669.100     22.166     7684.589    0.101 B-  -5549#      56#    220 015747.926     23.795
-  38  129   91  220 Pa   -a   20218#        51#        7656#       0#    B-  -2715#     113#    220 021705#        55#
-  36  128   92  220 U    -a   22933#       101#        7640#       0#    B-  -7378#     220#    220 024620#       108#
-  34  127   93  220 Np    x   30311#       196#        7603#       1#    B-      *              220 032540#       210#
-0 55  138   83  221 Bi    x   24098#       298#        7668#       1#    B-   4324#     299#    221 025870#       320#
-  53  137   84  221 Po    x   19773.755     19.561     7684.481    0.089 B-   2991.027   24.039 221 021228.000     21.000
-  51  136   85  221 At    x   16782.727     13.972     7694.475    0.063 B-   2311.308   15.096 221 018017.000     15.000
-  49  135   86  221 Rn   +a   14471.420      5.714     7701.393    0.026 B-   1194.130    7.231 221 015535.709      6.134
-  47  134   87  221 Fr        13277.290      4.886     7703.256    0.022 B-    313.479    6.386 221 014253.757      5.245
-  45  133   88  221 Ra   -a   12963.811      4.630     7701.135    0.021 B-  -1559.298   50.603 221 013917.224      4.970
-  43  132   89  221 Ac   -a   14523.109     50.425     7690.539    0.228 B-  -2417.261   51.056 221 015591.199     54.133
-  41  131   90  221 Th   -a   16940.371      8.166     7676.061    0.037 B-  -3435.918   51.915 221 018186.236      8.766
-  39  130   91  221 Pa   -a   20376.288     51.281     7656.974    0.232 B-  -4143.707   72.404 221 021874.846     55.052
-  37  129   92  221 U    -a   24519.995     51.114     7634.684    0.231 B-  -5330#     207#    221 026323.299     54.873
-  35  128   93  221 Np    x   29850#       200#        7607#       1#    B-      *              221 032045#       215#
-0 56  139   83  222 Bi    x   28729#       300#        7649#       1#    B-   6243#     303#    222 030842#       322#
-  54  138   84  222 Po    x   22486.265     40.054     7674.005    0.180 B-   1533.239   43.071 222 024140.000     43.000
-  52  137   85  222 At    x   20953.026     15.835     7677.387    0.071 B-   4580.820   15.955 222 022494.000     17.000
-  50  136   86  222 Rn        16372.206      1.950     7694.497    0.009 B-     -5.900    7.703 222 017576.286      2.093
-  48  135   87  222 Fr    x   16378.105      7.452     7690.947    0.034 B-   2057.917    8.682 222 017582.620      8.000
-  46  134   88  222 Ra        14320.188      4.454     7696.692    0.020 B-  -2301.285    6.637 222 015373.355      4.781
-  44  133   89  222 Ac   -a   16621.474      5.174     7682.802    0.023 B-   -581.637   13.228 222 017843.887      5.554
-  42  132   90  222 Th   -a   17203.111     12.279     7676.658    0.055 B-  -4951#      74#    222 018468.300     13.182
-  40  131   91  222 Pa   -a   22155#        72#        7651#       0#    B-  -2118#      89#    222 023784#        78#
-  38  130   92  222 U    -a   24272.827     51.994     7637.764    0.234 B-  -6746#     202#    222 026057.953     55.817
-  36  129   93  222 Np    x   31019#       196#        7604#       1#    B-      *              222 033300#       210#
-0 57  140   83  223 Bi    x   32137#       401#        7636#       2#    B-   5058#     446#    223 034500#       430#
-  55  139   84  223 Po    x   27079#       196#        7655#       1#    B-   3651#     196#    223 029070#       210#
-  53  138   85  223 At    x   23428.006     13.972     7668.055    0.063 B-   3038.267   16.013 223 025151.000     15.000
-  51  137   86  223 Rn        20389.739      7.822     7678.171    0.035 B-   2007.344    8.057 223 021889.285      8.397
-  49  136   87  223 Fr        18382.394      1.932     7683.664    0.009 B-   1149.085    0.848 223 019734.313      2.073
-  47  135   88  223 Ra        17233.309      2.090     7685.309    0.009 B-   -592.573    7.128 223 018500.719      2.244
-  45  134   89  223 Ac   -a   17825.882      7.110     7679.143    0.032 B-  -1559.948   11.563 223 019136.872      7.632
-  43  133   90  223 Th   -a   19385.831      9.212     7668.640    0.041 B-  -2934.845   71.639 223 020811.546      9.889
-  41  132   91  223 Pa   -a   22320.676     71.063     7651.971    0.319 B-  -3516.330  100.506 223 023962.232     76.289
-  39  131   92  223 U    -a   25837.006     71.119     7632.694    0.319 B-  -4763#     208#    223 027737.168     76.349
-  37  130   93  223 Np    x   30600#       196#        7608#       1#    B-      *              223 032850#       210#
-0 58  141   83  224 Bi    x   36830#       400#        7617#       2#    B-   6920#     445#    224 039539#       429#
-  56  140   84  224 Po    x   29910#       196#        7644#       1#    B-   2199#     197#    224 032110#       210#
-  54  139   85  224 At    x   27711.015     22.356     7650.735    0.100 B-   5265.917   24.415 224 029749.000     24.000
-  52  138   86  224 Rn        22445.098      9.814     7670.751    0.044 B-    696.482   14.875 224 024095.804     10.536
-  50  137   87  224 Fr    x   21748.616     11.178     7670.367    0.050 B-   2922.699   11.324 224 023348.100     12.000
-  48  136   88  224 Ra        18825.917      1.813     7679.922    0.008 B-  -1408.219    4.087 224 020210.453      1.945
-  46  135   89  224 Ac   -a   20234.135      4.089     7670.143    0.018 B-    240.401   10.823 224 021722.239      4.389
-  44  134   90  224 Th   -a   19993.734     10.120     7667.724    0.045 B-  -3868.544   12.546 224 021464.157     10.864
-  42  133   91  224 Pa   -a   23862.278      7.587     7646.961    0.034 B-  -1859.974   24.329 224 025617.210      8.145
-  40  132   92  224 U    -a   25722.252     23.171     7635.165    0.103 B-  -6153#     197#    224 027613.974     24.875
-  38  131   93  224 Np    x   31876#       196#        7604#       1#    B-      *              224 034220#       210#
-0 57  141   84  225 Po    x   34530#       298#        7626#       1#    B-   4136#     422#    225 037070#       320#
-  55  140   85  225 At    x   30395#       298#        7641#       1#    B-   3861#     298#    225 032630#       320#
-  53  139   86  225 Rn        26534.141     11.140     7654.357    0.050 B-   2713.531   16.349 225 028485.574     11.958
-  51  138   87  225 Fr        23820.610     11.967     7662.940    0.053 B-   1827.501   12.158 225 025572.478     12.847
-  49  137   88  225 Ra        21993.109      2.596     7667.586    0.012 B-    355.763    5.007 225 023610.574      2.787
-  47  136   89  225 Ac        21637.346      4.758     7665.690    0.021 B-   -672.781    6.658 225 023228.647      5.107
-  45  135   90  225 Th   -a   22310.127      5.093     7659.222    0.023 B-  -2030.598   71.170 225 023950.907      5.467
-  43  134   91  225 Pa   -a   24340.725     71.012     7646.720    0.316 B-  -3039.196   71.827 225 026130.844     76.234
-  41  133   92  225 U    -a   27379.921     10.909     7629.736    0.048 B-  -4207.783   72.440 225 029393.555     11.711
-  39  132   93  225 Np   -a   31587.704     71.622     7607.557    0.318 B-      *              225 033910.797     76.889
-0 58  142   84  226 Po    x   37549#       401#        7614#       2#    B-   2934#     499#    226 040310#       430#
-  56  141   85  226 At    x   34614#       298#        7624#       1#    B-   5867#     298#    226 037160#       320#
-  54  140   86  226 Rn        28747.192     10.477     7646.410    0.046 B-   1226.653   12.190 226 030861.382     11.247
-  52  139   87  226 Fr        27520.539      6.230     7648.376    0.028 B-   3852.715    6.523 226 029544.515      6.688
-  50  138   88  226 Ra        23667.824      1.933     7661.962    0.009 B-   -641.440    3.274 226 025408.455      2.075
-  48  137   89  226 Ac        24309.264      3.100     7655.662    0.014 B-   1111.630    4.563 226 026097.069      3.328
-  46  136   90  226 Th        23197.634      4.481     7657.119    0.020 B-  -2835.642   12.165 226 024903.686      4.810
-  44  135   91  226 Pa   -a   26033.276     11.420     7641.110    0.051 B-  -1295.593   17.228 226 027947.872     12.259
-  42  134   92  226 U    -a   27328.869     12.999     7631.916    0.058 B-  -5448#      89#    226 029338.749     13.955
-  40  133   93  226 Np   -a   32777#        88#        7604#       0#    B-      *              226 035188#        95#
-0 59  143   84  227 Po    x   42281#       401#        7596#       2#    B-   4797#     499#    227 045390#       430#
-  57  142   85  227 At    x   37483#       298#        7613#       1#    B-   4597#     298#    227 040240#       320#
-  55  141   86  227 Rn        32885.834     14.091     7630.050    0.062 B-   3203.388   15.276 227 035304.396     15.127
-  53  140   87  227 Fr        29682.445      5.898     7640.715    0.026 B-   2504.734    6.213 227 031865.417      6.332
-  51  139   88  227 Ra   -n   27177.711      1.952     7648.303    0.009 B-   1328.132    2.265 227 029176.474      2.095
-  49  138   89  227 Ac        25849.580      1.927     7650.707    0.008 B-     44.757    0.830 227 027750.666      2.068
-  47  137   90  227 Th        25804.823      2.088     7647.458    0.009 B-  -1026.375    7.437 227 027702.618      2.241
-  45  136   91  227 Pa   -a   26831.198      7.420     7639.490    0.033 B-  -2214.264   12.146 227 028804.477      7.965
-  43  135   92  227 U    -a   29045.462      9.705     7626.289    0.043 B-  -3516.618   73.135 227 031181.587     10.419
-  41  134   93  227 Np   -a   32562.080     72.506     7607.351    0.319 B-  -4208#     123#    227 034956.832     77.838
-  39  133   94  227 Pu    x   36770#       100#        7585#       0#    B-      *              227 039474#       107#
-0 58  143   85  228 At    x   41684#       401#        7597#       2#    B-   6441#     401#    228 044750#       430#
-  56  142   86  228 Rn        35243.465     17.677     7621.645    0.078 B-   1859.244   18.916 228 037835.418     18.977
-  54  141   87  228 Fr        33384.221      6.732     7626.368    0.030 B-   4443.953    7.021 228 035839.437      7.226
-  52  140   88  228 Ra   +a   28940.268      1.996     7642.428    0.009 B-     45.540    0.634 228 031068.657      2.142
-  50  139   89  228 Ac    -   28894.728      2.094     7639.196    0.009 B-   2123.743    2.645 228 031019.767      2.247
-  48  138   90  228 Th        26770.984      1.807     7645.080    0.008 B-  -2152.602    4.340 228 028739.835      1.940
-  46  137   91  228 Pa   -a   28923.586      4.340     7632.207    0.019 B-   -298.640   14.929 228 031050.748      4.659
-  44  136   92  228 U    -a   29222.226     14.354     7627.466    0.063 B-  -4373.468   52.545 228 031371.351     15.409
-  42  135   93  228 Np   -a   33595.694     50.572     7604.853    0.222 B-  -2491.677   58.346 228 036066.462     54.291
-  40  134   94  228 Pu   -a   36087.370     29.143     7590.493    0.128 B-      *              228 038741.387     31.286
-0 59  144   85  229 At    x   44823#       401#        7585#       2#    B-   5461#     401#    229 048120#       430#
-  57  143   86  229 Rn    x   39362.400     13.041     7605.622    0.057 B-   3694.138   13.967 229 042257.276     14.000
-  55  142   87  229 Fr        35668.262      5.001     7618.337    0.022 B-   3106.298   16.231 229 038291.455      5.368
-  53  141   88  229 Ra    x   32561.963     15.441     7628.485    0.067 B-   1872.030   19.623 229 034956.707     16.576
-  51  140   89  229 Ac    x   30689.933     12.109     7633.244    0.053 B-   1104.350   12.346 229 032947.000     13.000
-  49  139   90  229 Th        29585.583      2.405     7634.650    0.011 B-   -311.325    3.715 229 031761.431      2.581
-  47  138   91  229 Pa        29896.908      3.280     7629.874    0.014 B-  -1313.646    6.655 229 032095.652      3.521
-  45  137   92  229 U    -a   31210.554      5.938     7620.721    0.026 B-  -2569.122   87.031 229 033505.909      6.374
-  43  136   93  229 Np   -a   33779.675     86.848     7606.086    0.379 B-  -3615.915  100.792 229 036263.974     93.235
-  41  135   94  229 Pu   -a   37395.590     51.176     7586.880    0.223 B-  -4754.430  101.230 229 040145.819     54.939
-  39  134   95  229 Am   -a   42150.020     87.348     7562.702    0.381 B-      *              229 045249.909     93.772
-0 58  144   86  230 Rn    x   42048#       196#        7596#       1#    B-   2561#     196#    230 045140#       210#
-  56  143   87  230 Fr        39486.768      6.541     7603.704    0.028 B-   4970.462   12.198 230 042390.791      7.022
-  54  142   88  230 Ra    x   34516.306     10.296     7621.914    0.045 B-    677.924   18.888 230 037054.780     11.053
-  52  141   89  230 Ac    x   33838.383     15.835     7621.460    0.069 B-   2975.789   15.882 230 036327.000     17.000
-  50  140   90  230 Th        30862.593      1.210     7630.996    0.005 B-  -1311.014    2.833 230 033132.358      1.299
-  48  139   91  230 Pa        32173.607      3.038     7621.895    0.013 B-    558.605    4.592 230 034539.789      3.261
-  46  138   92  230 U    -a   31615.002      4.509     7620.922    0.020 B-  -3621.290   51.461 230 033940.102      4.841
-  44  137   93  230 Np   -a   35236.291     51.288     7601.776    0.223 B-  -1698.101   53.363 230 037827.716     55.059
-  42  136   94  230 Pu   -a   36934.392     14.824     7590.991    0.064 B-  -5998#     134#    230 039650.703     15.913
-  40  135   95  230 Am   -a   42932#       133#        7562#       1#    B-      *              230 046089#       143#
-0 59  145   86  231 Rn    x   46454#       298#        7579#       1#    B-   4373#     298#    231 049870#       320#
-  57  144   87  231 Fr    x   42080.575      7.731     7594.500    0.033 B-   3864.089   13.749 231 045175.357      8.300
-  55  143   88  231 Ra        38216.486     11.370     7607.841    0.049 B-   2453.636   17.301 231 041027.086     12.206
-  53  142   89  231 Ac    x   35762.849     13.041     7615.076    0.056 B-   1946.959   13.098 231 038393.000     14.000
-  51  141   90  231 Th        33815.891      1.218     7620.118    0.005 B-    391.487    1.460 231 036302.853      1.308
-  49  140   91  231 Pa        33424.404      1.772     7618.426    0.008 B-   -381.611    2.033 231 035882.575      1.902
-  47  139   92  231 U    -a   33806.015      2.670     7613.387    0.012 B-  -1818.498   50.577 231 036292.252      2.866
-  45  138   93  231 Np   -a   35624.513     50.547     7602.128    0.219 B-  -2684.492   55.333 231 038244.490     54.264
-  43  137   94  231 Pu   -a   38309.005     22.549     7587.120    0.098 B-  -4101#     301#    231 041126.410     24.206
-  41  136   95  231 Am    x   42410#       300#        7566#       1#    B-  -4860#     424#    231 045529#       322#
-  39  135   96  231 Cm    x   47270#       300#        7542#       1#    B-      *              231 050746#       322#
-0 58  145   87  232 Fr    x   46072.834     13.972     7579.347    0.060 B-   5575.880   16.702 232 049461.224     15.000
-  56  144   88  232 Ra        40496.953      9.151     7600.009    0.039 B-   1342.534   15.931 232 043475.270      9.823
-  54  143   89  232 Ac    x   39154.419     13.041     7602.424    0.056 B-   3707.635   13.118 232 042034.000     14.000
-  52  142   90  232 Th        35446.784      1.422     7615.033    0.006 B-   -499.850    7.734 232 038053.689      1.526
-  50  141   91  232 Pa    +   35946.633      7.645     7609.506    0.033 B-   1337.103    7.428 232 038590.300      8.207
-  48  140   92  232 U         34609.530      1.809     7611.897    0.008 B-  -2750#     100#    232 037154.860      1.942
-  46  139   93  232 Np    -   37360#       100#        7597#       0#    B-  -1004#     102#    232 040107#       107#
-  44  138   94  232 Pu   -a   38363.140     17.595     7588.974    0.076 B-  -4976#     300#    232 041184.526     18.888
-  42  137   95  232 Am    x   43340#       300#        7564#       1#    B-  -2973#     362#    232 046527#       322#
-  40  136   96  232 Cm   -a   46312#       202#        7548#       1#    B-      *              232 049718#       217#
-0 59  146   87  233 Fr    x   48920.051     19.561     7569.239    0.084 B-   4585.991   21.369 233 052517.838     21.000
-  57  145   88  233 Ra        44334.060      8.603     7585.564    0.037 B-   3026.027   15.623 233 047594.573      9.235
-  55  144   89  233 Ac    x   41308.033     13.041     7595.193    0.056 B-   2576.318   13.118 233 044346.000     14.000
-  53  143   90  233 Th        38731.715      1.425     7602.893    0.006 B-   1242.243    1.122 233 041580.208      1.529
-  51  142   91  233 Pa        37489.472      1.336     7604.866    0.006 B-    570.296    1.975 233 040246.605      1.434
-  49  141   92  233 U         36919.176      2.255     7603.956    0.010 B-  -1029.415   51.005 233 039634.367      2.420
-  47  140   93  233 Np   -a   37948.590     50.981     7596.181    0.219 B-  -2103.179   71.642 233 040739.489     54.729
-  45  139   94  233 Pu   -a   40051.769     50.351     7583.796    0.216 B-  -3211#     113#    233 042997.345     54.054
-  43  138   95  233 Am   -a   43263#       102#        7567#       0#    B-  -4031#     124#    233 046445#       109#
-  41  137   96  233 Cm   -a   47294.006     71.547     7545.998    0.307 B-  -5567#     235#    233 050772.206     76.809
-  39  136   97  233 Bk   -a   52861#       224#        7519#       1#    B-      *              233 056748#       240#
-0 58  146   88  234 Ra    x   46930.629      8.383     7576.543    0.036 B-   2089.439   16.294 234 050382.104      9.000
-  56  145   89  234 Ac    x   44841.190     13.972     7582.129    0.060 B-   4228.181   14.210 234 048139.000     15.000
-  54  144   90  234 Th   +a   40613.009      2.589     7596.855    0.011 B-    274.088    3.172 234 043599.860      2.779
-  52  143   91  234 Pa   IT   40338.921      4.094     7594.683    0.017 B-   2193.896    4.000 234 043305.615      4.395
-  50  142   92  234 U         38145.025      1.130     7600.715    0.005 B-  -1809.846    8.321 234 040950.370      1.213
-  48  141   93  234 Np    -   39954.871      8.397     7589.637    0.036 B-   -395.100   10.752 234 042893.320      9.014
-  46  140   94  234 Pu   -a   40349.971      6.798     7584.605    0.029 B-  -4111#     159#    234 043317.478      7.298
-  44  139   95  234 Am   -a   44461#       159#        7564#       1#    B-  -2263#     159#    234 047731#       170#
-  42  138   96  234 Cm   -a   46724.633     17.394     7550.677    0.074 B-  -6731#     143#    234 050160.959     18.673
-  40  137   97  234 Bk   -a   53455#       142#        7519#       1#    B-      *              234 057387#       153#
-0 59  147   88  235 Ra    x   51130#       300#        7561#       1#    B-   3773#     300#    235 054890#       322#
-  57  146   89  235 Ac    x   47357.155     13.972     7573.504    0.059 B-   3339.406   19.113 235 050840.000     15.000
-  55  145   90  235 Th    x   44017.749     13.041     7584.385    0.055 B-   1728.853   19.113 235 047255.000     14.000
-  53  144   91  235 Pa    x   42288.896     13.972     7588.413    0.059 B-   1370.050   14.017 235 045399.000     15.000
-  51  143   92  235 U         40918.846      1.117     7590.914    0.005 B-   -124.262    0.852 235 043928.190      1.199
-  49  142   93  235 Np        41043.108      1.389     7587.056    0.006 B-  -1139.302   20.499 235 044061.591      1.491
-  47  141   94  235 Pu   -a   42182.410     20.521     7578.879    0.087 B-  -2443.019   56.045 235 045284.682     22.030
-  45  140   95  235 Am   -a   44625.429     52.192     7565.154    0.222 B-  -3408#     208#    235 047907.371     56.030
-  43  139   96  235 Cm   -a   48034#       201#        7547#       1#    B-  -4670#     448#    235 051567#       216#
-  41  138   97  235 Bk    x   52704#       401#        7524#       2#    B-      *              235 056580#       430#
-0 58  147   89  236 Ac    x   51220.992     38.191     7559.242    0.162 B-   4965.795   40.667 236 054988.000     41.000
-  56  146   90  236 Th    x   46255.198     13.972     7576.968    0.059 B-    921.248   19.760 236 049657.000     15.000
-  54  145   91  236 Pa    x   45333.950     13.972     7577.557    0.059 B-   2889.306   14.017 236 048668.000     15.000
-  52  144   92  236 U         42444.644      1.113     7586.484    0.005 B-   -933.534   50.415 236 045566.201      1.194
-  50  143   93  236 Np   IT   43378.178     50.421     7579.214    0.214 B-    476.585   50.389 236 046568.392     54.129
-  48  142   94  236 Pu        42901.593      1.811     7577.918    0.008 B-  -3139#     112#    236 046056.756      1.944
-  46  141   95  236 Am   -a   46041#       112#        7561#       0#    B-  -1814#     113#    236 049427#       120#
-  44  140   96  236 Cm   -a   47855.045     18.315     7550.299    0.078 B-  -5687#     401#    236 051374.506     19.662
-  42  139   97  236 Bk    x   53542#       401#        7523#       2#    B-      *              236 057480#       430#
-0 59  148   89  237 Ac    x   54020#       400#        7550#       2#    B-   4065#     400#    237 057993#       429#
-  57  147   90  237 Th    x   49955.092     15.835     7563.443    0.067 B-   2427.473   20.514 237 053629.000     17.000
-  55  146   91  237 Pa    x   47527.619     13.041     7570.384    0.055 B-   2137.425   13.096 237 051023.000     14.000
-  53  145   92  237 U         45390.194      1.203     7576.102    0.005 B-    518.534    0.520 237 048728.380      1.291
-  51  144   93  237 Np        44871.659      1.120     7574.989    0.005 B-   -220.063    1.294 237 048171.710      1.202
-  49  143   94  237 Pu        45091.722      1.697     7570.759    0.007 B-  -1478#      59#    237 048407.957      1.822
-  47  142   95  237 Am   -a   46570#        59#        7561#       0#    B-  -2677#      93#    237 049995#        64#
-  45  141   96  237 Cm   -a   49247.085     70.960     7546.624    0.299 B-  -3941#     235#    237 052868.923     76.178
-  43  140   97  237 Bk   -a   53188#       224#        7527#       1#    B-  -4751#     241#    237 057100#       241#
-  41  139   98  237 Cf   -a   57938.921     87.287     7503.347    0.368 B-      *              237 062199.993     93.706
-0 58  148   90  238 Th   +a   52525#       283#        7555#       1#    B-   1631#     284#    238 056388#       304#
-  56  147   91  238 Pa    x   50894.038     15.835     7558.344    0.067 B-   3586.255   15.906 238 054637.000     17.000
-  54  146   92  238 U         47307.783      1.493     7570.125    0.006 B-   -146.874    1.201 238 050786.996      1.602
-  52  145   93  238 Np   -n   47454.656      1.138     7566.221    0.005 B-   1291.443    0.457 238 050944.671      1.221
-  50  144   94  238 Pu        46163.213      1.139     7568.360    0.005 B-  -2258.273   50.688 238 049558.250      1.222
-  48  143   95  238 Am   -a   48421.487     50.700     7555.584    0.213 B-  -1023.701   52.145 238 051982.607     54.428
-  46  142   96  238 Cm   -a   49445.188     12.234     7547.996    0.051 B-  -4771#     255#    238 053081.595     13.133
-  44  141   97  238 Bk   -a   54216#       255#        7525#       1#    B-  -3061#     392#    238 058203#       274#
-  42  140   98  238 Cf    x   57278#       298#        7509#       1#    B-      *              238 061490#       320#
-0 59  149   90  239 Th    x   56450#       400#        7541#       2#    B-   3113#     445#    239 060602#       429#
-  57  148   91  239 Pa    x   53337#       196#        7550#       1#    B-   2765#     196#    239 057260#       210#
-  55  147   92  239 U    -n   50572.718      1.503     7558.561    0.006 B-   1261.661    1.493 239 054292.048      1.613
-  53  146   93  239 Np        49311.057      1.311     7560.567    0.005 B-    722.774    0.930 239 052937.599      1.407
-  51  145   94  239 Pu        48588.282      1.113     7560.318    0.005 B-   -802.142    1.664 239 052161.669      1.195
-  49  144   95  239 Am   -a   49390.424      1.982     7553.688    0.008 B-  -1756.602   54.058 239 053022.803      2.128
-  47  143   96  239 Cm   -a   51147.025     54.047     7543.065    0.226 B-  -3103#     214#    239 054908.593     58.022
-  45  142   97  239 Bk   -a   54250#       207#        7527#       1#    B-  -4019#     294#    239 058240#       222#
-  43  141   98  239 Cf   -a   58269#       209#        7507#       1#    B-  -5287#     364#    239 062554#       224#
-  41  140   99  239 Es    x   63556#       298#        7481#       1#    B-      *              239 068230#       320#
-0 58  149   91  240 Pa    x   56910#       200#        7538#       1#    B-   4194#     200#    240 061095#       215#
-  56  148   92  240 U         52715.505      2.553     7551.770    0.011 B-    399.233   17.083 240 056592.425      2.740
-  54  147   93  240 Np        52316.272     17.032     7550.173    0.071 B-   2190.891   17.015 240 056163.830     18.284
-  52  146   94  240 Pu        50125.380      1.106     7556.042    0.005 B-  -1384.789   13.788 240 053811.812      1.187
-  50  145   95  240 Am   +n   51510.169     13.832     7547.013    0.058 B-   -214.137   13.897 240 055298.444     14.849
-  48  144   96  240 Cm        51724.306      1.906     7542.861    0.008 B-  -3940#     150#    240 055528.329      2.046
-  46  143   97  240 Bk    -   55664#       150#        7523#       1#    B-  -2327#     151#    240 059758#       161#
-  44  142   98  240 Cf   -a   57990.944     18.700     7510.230    0.078 B-  -6208#     401#    240 062255.842     20.075
-  42  141   99  240 Es    x   64199#       401#        7481#       2#    B-      *              240 068920#       430#
-0 59  150   91  241 Pa    x   59640#       300#        7528#       1#    B-   3443#     358#    241 064026#       322#
-  57  149   92  241 U     x   56197#       196#        7539#       1#    B-   1937#     208#    241 060330#       210#
-  55  148   93  241 Np    +   54260.175     70.719     7544.270    0.293 B-   1305.000   70.711 241 058250.697     75.920
-  53  147   94  241 Pu        52955.175      1.106     7546.439    0.005 B-     20.780    0.166 241 056849.722      1.187
-  51  146   95  241 Am        52934.395      1.114     7543.278    0.005 B-   -767.434    1.168 241 056827.413      1.195
-  49  145   96  241 Cm        53701.830      1.608     7536.848    0.007 B-  -2330#     200#    241 057651.288      1.726
-  47  144   97  241 Bk    -   56032#       200#        7524#       1#    B-  -3295#     260#    241 060153#       215#
-  45  143   98  241 Cf   -a   59327#       166#        7507#       1#    B-  -4537#     280#    241 063690#       178#
-  43  142   99  241 Es   -a   63863#       225#        7485#       1#    B-  -5263#     374#    241 068560#       242#
-  41  141  100  241 Fm    x   69126#       298#        7460#       1#    B-      *              241 074210#       320#
-0 58  150   92  242 U    +a   58620#       201#        7532#       1#    B-   1203#     283#    242 062931#       215#
-  56  149   93  242 Np    +   57416.932    200.004     7533.403    0.826 B-   2700.000  200.000 242 061639.615    214.713
-  54  148   94  242 Pu        54716.932      1.245     7541.327    0.005 B-   -751.140    0.708 242 058741.045      1.336
-  52  147   95  242 Am   -n   55468.072      1.119     7534.991    0.005 B-    664.309    0.414 242 059547.428      1.200
-  50  146   96  242 Cm        54803.764      1.142     7534.503    0.005 B-  -2930#     200#    242 058834.263      1.225
-  48  145   97  242 Bk    -   57734#       200#        7519#       1#    B-  -1653#     200#    242 061980#       215#
-  46  144   98  242 Cf   -a   59386.966     12.892     7509.098    0.053 B-  -5414#     256#    242 063754.533     13.840
-  44  143   99  242 Es   -a   64801#       256#        7483#       1#    B-  -3598#     475#    242 069567#       275#
-  42  142  100  242 Fm    x   68400#       401#        7465#       2#    B-      *              242 073430#       430#
-0 59  151   92  243 U     x   62360#       300#        7518#       1#    B-   2484#     302#    243 066946#       322#
-  57  150   93  243 Np   IT   59876#        32#        7525#       0#    B-   2121#      32#    243 064279#        34#
-  55  149   94  243 Pu        57754.602      2.542     7531.008    0.010 B-    579.556    2.622 243 062002.119      2.728
-  53  148   95  243 Am        57175.046      1.388     7530.173    0.006 B-     -6.952    1.569 243 061379.940      1.490
-  51  147   96  243 Cm   -a   57181.998      1.496     7526.925    0.006 B-  -1507.695    4.506 243 061387.403      1.606
-  49  146   97  243 Bk   -a   58689.693      4.524     7517.501    0.019 B-  -2300#     114#    243 063005.980      4.857
-  47  145   98  243 Cf   -a   60990#       114#        7505#       0#    B-  -3757#     236#    243 065475#       123#
-  45  144   99  243 Es   -a   64747#       207#        7486#       1#    B-  -4640#     298#    243 069509#       222#
-  43  143  100  243 Fm   -a   69387#       215#        7464#       1#    B-      *              243 074490#       231#
-0 58  151   93  244 Np    x   63202#       298#        7514#       1#    B-   3396#     298#    244 067850#       320#
-  56  150   94  244 Pu        59806.028      2.346     7524.815    0.010 B-    -73.168    2.686 244 064204.415      2.518
-  54  149   95  244 Am    +   59879.196      1.492     7521.308    0.006 B-   1427.300    1.000 244 064282.964      1.601
-  52  148   96  244 Cm   -a   58451.896      1.107     7523.952    0.005 B-  -2261.989   14.357 244 062750.694      1.188
-  50  147   97  244 Bk   -a   60713.885     14.399     7511.475    0.059 B-   -764.294   14.572 244 065179.039     15.457
-  48  146   98  244 Cf        61478.179      2.618     7505.136    0.011 B-  -4547#     181#    244 065999.543      2.810
-  46  145   99  244 Es   -a   66026#       181#        7483#       1#    B-  -2940#     271#    244 070881#       195#
-  44  144  100  244 Fm   -a   68966#       201#        7468#       1#    B-      *              244 074038#       216#
-0 59  152   93  245 Np    x   65890#       300#        7505#       1#    B-   2712#     300#    245 070736#       322#
-  57  151   94  245 Pu   -n   63178.179     13.620     7513.281    0.056 B-   1277.710   13.733 245 067824.568     14.621
-  55  150   95  245 Am   +a   61900.469      1.887     7515.303    0.008 B-    895.889    1.549 245 066452.890      2.025
-  53  149   96  245 Cm        61004.580      1.150     7515.767    0.005 B-   -809.256    1.496 245 065491.113      1.234
-  51  148   97  245 Bk   -a   61813.836      1.793     7509.270    0.007 B-  -1571.374    2.586 245 066359.885      1.924
-  49  147   98  245 Cf        63385.210      2.428     7499.663    0.010 B-  -2981#     200#    245 068046.825      2.606
-  47  146   99  245 Es   -a   66366#       200#        7484#       1#    B-  -3821#     279#    245 071247#       215#
-  45  145  100  245 Fm   -a   70187#       195#        7466#       1#    B-  -5085#     362#    245 075349#       209#
-  43  144  101  245 Md   -a   75272#       305#        7442#       1#    B-      *              245 080808#       328#
-0 58  152   94  246 Pu        65394.801     14.985     7506.539    0.061 B-    401#      14#    246 070204.209     16.087
-  56  151   95  246 Am   IT   64994#        18#        7505#       0#    B-   2377#      18#    246 069774#        19#
-  54  150   96  246 Cm        62616.967      1.526     7511.471    0.006 B-  -1350.000   60.000 246 067222.082      1.638
-  52  149   97  246 Bk    -   63966.967     60.019     7502.803    0.244 B-   -123.325   60.020 246 068671.367     64.433
-  50  148   98  246 Cf        64090.292      1.515     7499.121    0.006 B-  -3810#     224#    246 068803.762      1.626
-  48  147   99  246 Es   -a   67901#       224#        7480#       1#    B-  -2288#     224#    246 072894#       240#
-  46  146  100  246 Fm   -a   70188.833     15.333     7467.970    0.062 B-  -5926#     260#    246 075350.815     16.460
-  44  145  101  246 Md   -a   76115#       259#        7441#       1#    B-      *              246 081713#       278#
-0 59  153   94  247 Pu    x   69108#       196#        7494#       1#    B-   1954#     220#    247 074190#       210#
-  57  152   95  247 Am    +   67153#       100#        7499#       0#    B-   1620#     100#    247 072092#       107#
-  55  151   96  247 Cm        65533.143      3.797     7501.931    0.015 B-     43.581    6.324 247 070352.726      4.076
-  53  150   97  247 Bk   -a   65489.562      5.189     7498.940    0.021 B-   -614.341   16.188 247 070305.940      5.570
-  51  149   98  247 Cf   +a   66103.903     15.334     7493.285    0.062 B-  -2474.485   24.760 247 070965.462     16.461
-  49  148   99  247 Es   +a   68578.388     19.441     7480.100    0.079 B-  -3094#     116#    247 073621.932     20.870
-  47  147  100  247 Fm   +a   71673#       115#        7464#       0#    B-  -4264#     237#    247 076944#       123#
-  45  146  101  247 Md   -a   75937#       207#        7444#       1#    B-      *              247 081521#       222#
-0 58  153   95  248 Am    +   70563#       200#        7487#       1#    B-   3170#     200#    248 075752#       215#
-  56  152   96  248 Cm        67392.755      2.358     7496.728    0.010 B-   -687#      71#    248 072349.101      2.531
-  54  151   97  248 Bk   IT   68080#        71#        7491#       0#    B-    842#      71#    248 073087#        76#
-  52  150   98  248 Cf   -a   67238.012      5.121     7491.043    0.021 B-  -3061#      53#    248 072182.978      5.497
-  50  149   99  248 Es   -a   70299#        52#        7476#       0#    B-  -1599#      53#    248 075469#        56#
-  48  148  100  248 Fm        71897.857      8.497     7465.944    0.034 B-  -5250#     238#    248 077185.528      9.122
-  46  147  101  248 Md   -a   77148#       237#        7442#       1#    B-  -3473#     327#    248 082822#       255#
-  44  146  102  248 No   -a   80621#       224#        7424#       1#    B-      *              248 086550#       241#
-0 59  154   95  249 Am    x   73104#       298#        7479#       1#    B-   2353#     298#    249 078480#       320#
-  57  153   96  249 Cm   -n   70750.702      2.371     7485.550    0.010 B-    904.317    2.594 249 075954.006      2.545
-  55  152   97  249 Bk    +   69846.384      1.249     7486.040    0.005 B-    123.600    0.400 249 074983.182      1.340
-  53  151   98  249 Cf        69722.784      1.183     7483.394    0.005 B-  -1452#      30#    249 074850.491      1.270
-  51  150   99  249 Es   -a   71175#        30#        7474#       0#    B-  -2344#      31#    249 076409#        32#
-  49  149  100  249 Fm        73519.188      6.212     7461.864    0.025 B-  -3713#     201#    249 078926.098      6.668
-  47  148  101  249 Md   -a   77232#       201#        7444#       1#    B-  -4550#     344#    249 082912#       216#
-  45  147  102  249 No   -a   81782#       279#        7422#       1#    B-      *              249 087797#       300#
-0 58  154   96  250 Cm  -nn   72989.594     10.274     7478.938    0.041 B-     39.616   10.894 250 078357.556     11.029
-  56  153   97  250 Bk   +a   72949.978      3.719     7475.967    0.015 B-   1779.587    3.386 250 078315.027      3.992
-  54  152   98  250 Cf   -a   71170.391      1.538     7479.956    0.006 B-  -2055#     100#    250 076404.561      1.651
-  52  151   99  250 Es    -   73225#       100#        7469#       0#    B-   -847#     100#    250 078611#       107#
-  50  150  100  250 Fm        74072.243      7.888     7462.090    0.032 B-  -4558#     301#    250 079519.828      8.468
-  48  149  101  250 Md   -a   78630#       301#        7441#       1#    B-  -2933#     362#    250 084413#       323#
-  46  148  102  250 No   -a   81564#       201#        7426#       1#    B-      *              250 087562#       215#
-0 59  155   96  251 Cm    +   76648.018     22.698     7466.722    0.090 B-   1420.000   20.000 251 082285.036     24.367
-  57  154   97  251 Bk    +   75228.018     10.734     7469.263    0.043 B-   1093.000   10.000 251 080760.603     11.523
-  55  153   98  251 Cf   -a   74135.018      3.901     7470.500    0.016 B-   -377.259    7.057 251 079587.219      4.187
-  53  152   99  251 Es   -a   74512.277      5.994     7465.881    0.024 B-  -1441.641   16.342 251 079992.224      6.434
-  51  151  100  251 Fm   +a   75953.919     15.203     7457.020    0.061 B-  -3012.825   24.271 251 081539.889     16.320
-  49  150  101  251 Md   +a   78966.744     18.919     7441.900    0.075 B-  -3882#     116#    251 084774.291     20.310
-  47  149  102  251 No   IT   82849#       114#        7423#       0#    B-  -4879#     319#    251 088942#       123#
-  45  148  103  251 Lr    x   87728#       298#        7401#       1#    B-      *              251 094180#       320#
-0 60  156   96  252 Cm    x   79056#       298#        7460#       1#    B-    521#     359#    252 084870#       320#
-  58  155   97  252 Bk    +   78535#       200#        7459#       1#    B-   2500#     200#    252 084310#       215#
-  56  154   98  252 Cf   -a   76034.617      2.358     7465.347    0.009 B-  -1260.000   50.000 252 081626.523      2.531
-  54  153   99  252 Es    -   77294.617     50.056     7457.242    0.199 B-    478.990   50.351 252 082979.189     53.736
-  52  152  100  252 Fm   -a   76815.627      5.498     7456.038    0.022 B-  -3695#     130#    252 082464.972      5.902
-  50  151  101  252 Md   IT   80510#       130#        7438#       1#    B-  -2361#     131#    252 086432#       140#
-  48  150  102  252 No        82871.427      9.292     7425.798    0.037 B-  -5866#     238#    252 088966.141      9.975
-  46  149  103  252 Lr   -a   88737#       238#        7399#       1#    B-      *              252 095263#       255#
-0 59  156   97  253 Bk   -a   80929#       359#        7451#       1#    B-   1627#     359#    253 086880#       385#
-  57  155   98  253 Cf   -a   79301.567      4.257     7454.829    0.017 B-    291.030    4.385 253 085133.738      4.570
-  55  154   99  253 Es   -a   79010.538      1.250     7452.887    0.005 B-   -335.202    2.713 253 084821.305      1.341
-  53  153  100  253 Fm   -a   79345.740      2.932     7448.470    0.012 B-  -1827#      31#    253 085181.160      3.148
-  51  152  101  253 Md   -a   81173#        31#        7438#       0#    B-  -3186#      32#    253 087143#        34#
-  49  151  102  253 No        84358.735      6.912     7422.471    0.027 B-  -4217#     202#    253 090562.831      7.420
-  47  150  103  253 Lr   -a   88575#       202#        7403#       1#    B-  -4982#     457#    253 095089#       217#
-  45  149  104  253 Rf   -a   93557#       410#        7380#       2#    B-      *              253 100438#       440#
-0 60  157   97  254 Bk    x   84393#       298#        7440#       1#    B-   3052#     298#    254 090600#       320#
-  58  156   98  254 Cf   -a   81341.401     11.462     7449.225    0.045 B-   -649.193   12.113 254 087323.590     12.304
-  56  155   99  254 Es   -a   81990.594      4.010     7443.589    0.016 B-   1087.800    3.202 254 088020.527      4.304
-  54  154  100  254 Fm   -a   80902.794      2.414     7444.792    0.010 B-  -2550#     100#    254 086852.726      2.591
-  52  153  101  254 Md    -   83453#       100#        7432#       0#    B-  -1271#     100#    254 089590#       107#
-  50  152  102  254 No        84723.347      9.658     7423.590    0.038 B-  -5148#     301#    254 090954.259     10.367
-  48  151  103  254 Lr   -a   89871#       301#        7400#       1#    B-  -3327#     414#    254 096481#       323#
-  46  150  104  254 Rf   -a   93199#       283#        7384#       1#    B-      *              254 100053#       304#
-0 59  157   98  255 Cf    +   84809#       200#        7438#       1#    B-    720#     200#    255 091047#       215#
-  57  156   99  255 Es   -a   84089.274     10.817     7437.821    0.042 B-    289.620   10.247 255 090273.553     11.612
-  55  155  100  255 Fm   -a   83799.654      4.291     7435.888    0.017 B-  -1043.416    7.747 255 089962.633      4.607
-  53  154  101  255 Md   -a   84843.070      6.553     7428.729    0.026 B-  -1964.164   16.281 255 091082.787      7.035
-  51  153  102  255 No    x   86807.234     14.904     7417.958    0.058 B-  -3140.066   23.138 255 093191.404     16.000
-  49  152  103  255 Lr    x   89947.300     17.698     7402.576    0.069 B-  -4382#     116#    255 096562.404     19.000
-  47  151  104  255 Rf   -a   94330#       115#        7382#       0#    B-  -5263#     377#    255 101267#       123#
-  45  150  105  255 Db   -a   99593#       359#        7359#       1#    B-      *              255 106918#       385#
-0 60  158   98  256 Cf   -a   87041#       314#        7432#       1#    B-   -146#     330#    256 093442#       338#
-  58  157   99  256 Es    +   87187#       100#        7428#       0#    B-   1700#     100#    256 093599#       108#
-  56  156  100  256 Fm   -a   85486.817      5.600     7431.780    0.022 B-  -1969#     123#    256 091773.878      6.012
-  54  155  101  256 Md   IT   87456#       122#        7421#       0#    B-   -366#     123#    256 093888#       132#
-  52  154  102  256 No   -a   87822.062      7.743     7416.546    0.030 B-  -3924.536   83.264 256 094280.866      8.312
-  50  153  103  256 Lr    x   91746.598     82.903     7398.160    0.324 B-  -2475.451   84.802 256 098494.029     89.000
-  48  152  104  256 Rf   -a   94222.049     17.848     7385.434    0.070 B-  -6276#     241#    256 101151.535     19.160
-  46  151  105  256 Db   -a  100498#       240#        7358#       1#    B-      *              256 107889#       258#
-0 59  158   99  257 Es   -a   89403#       411#        7422#       2#    B-    813#     411#    257 095979#       441#
-  57  157  100  257 Fm   -a   88590.033      4.486     7422.194    0.017 B-   -403.020    4.715 257 095105.317      4.815
-  55  156  101  257 Md   -a   88993.053      1.601     7417.582    0.006 B-  -1254.202    6.661 257 095537.977      1.718
-  53  155  102  257 No   -a   90247.256      6.678     7409.657    0.026 B-  -2418#      45#    257 096884.419      7.169
-  51  154  103  257 Lr   -a   92665#        44#        7397#       0#    B-  -3201#      45#    257 099480#        47#
-  49  153  104  257 Rf   -a   95866.427     10.817     7381.704    0.042 B-  -4340#     203#    257 102916.848     11.612
-  47  152  105  257 Db   -a  100207#       203#        7362#       1#    B-      *              257 107576#       218#
-0 60  159   99  258 Es    x   92702#       401#        7412#       2#    B-   2276#     448#    258 099520#       430#
-  58  158  100  258 Fm   -a   90426#       200#        7418#       1#    B-  -1260#     200#    258 097077#       215#
-  56  157  101  258 Md   -a   91686.792      4.419     7409.675    0.017 B-    209#     100#    258 098429.825      4.743
-  54  156  102  258 No   -a   91478#       100#        7407#       0#    B-  -3304#     143#    258 098205#       107#
-  52  155  103  258 Lr   -a   94782#       102#        7392#       0#    B-  -1559#     107#    258 101753#       109#
-  50  154  104  258 Rf   -a   96341.036     31.967     7382.538    0.124 B-  -5456#     307#    258 103426.362     34.317
-  48  153  105  258 Db   -a  101797#       305#        7358#       1#    B-  -3447#     513#    258 109284#       328#
-  46  152  106  258 Sg   -a  105244#       413#        7342#       2#    B-      *              258 112984#       443#
-0 59  159  100  259 Fm   -a   93704#       283#        7407#       1#    B-     80#     346#    259 100596#       304#
-  57  158  101  259 Md   -a   93624#       200#        7405#       1#    B-   -454#     200#    259 100510#       215#
-  55  157  102  259 No   -a   94078.569      6.589     7399.974    0.025 B-  -1773#      71#    259 100997.503      7.073
-  53  156  103  259 Lr   -a   95852#        71#        7390#       0#    B-  -2510#     101#    259 102901#        76#
-  51  155  104  259 Rf   -a   98362#        72#        7377#       0#    B-  -3629#      90#    259 105596#        78#
-  49  154  105  259 Db   -a  101991.016     53.040     7360.362    0.205 B-  -4529#     126#    259 109491.865     56.940
-  47  153  106  259 Sg   -a  106520#       115#        7340#       0#    B-      *              259 114353#       123#
-0 60  160  100  260 Fm   -a   95766#       435#        7402#       2#    B-   -786#     537#    260 102809#       467#
-  58  159  101  260 Md   -a   96552#       316#        7396#       1#    B-    940#     374#    260 103653#       340#
-  56  158  102  260 No   -a   95612#       200#        7397#       1#    B-  -2665#     235#    260 102643#       215#
-  54  157  103  260 Lr   -a   98277#       124#        7383#       0#    B-   -870#     236#    260 105504#       133#
-  52  156  104  260 Rf   -a   99147#       200#        7377#       1#    B-  -4526#     221#    260 106439#       215#
-  50  155  105  260 Db   -a  103673#        93#        7357#       0#    B-  -2875#      95#    260 111297#       100#
-  48  154  106  260 Sg   -a  106547.552     20.536     7342.562    0.079 B-  -6776#     246#    260 114383.508     22.045
-  46  153  107  260 Bh   -a  113323#       245#        7313#       1#    B-      *              260 121658#       263#
-0 59  160  101  261 Md   -a   98578#       509#        7391#       2#    B-    123#     547#    261 105828#       546#
-  57  159  102  261 No   -a   98455#       200#        7388#       1#    B-  -1103#     283#    261 105696#       215#
-  55  158  103  261 Lr   -a   99558#       200#        7381#       1#    B-  -1761#     206#    261 106880#       215#
-  53  157  104  261 Rf   -a  101318.594     50.444     7371.384    0.193 B-  -2990#     121#    261 108769.990     54.153
-  51  156  105  261 Db   -a  104308#       110#        7357#       0#    B-  -3697#     112#    261 111980#       118#
-  49  155  106  261 Sg   -a  108005.043     18.494     7339.770    0.071 B-  -5128#     210#    261 115948.188     19.853
-  47  154  107  261 Bh   -a  113133#       209#        7317#       1#    B-      *              261 121454#       224#
-0 60  161  101  262 Md   -a  101627#       500#        7382#       2#    B-   1526#     617#    262 109101#       537#
-  58  160  102  262 No   -a  100101#       361#        7385#       1#    B-  -2000#     412#    262 107463#       387#
-  56  159  103  262 Lr   -a  102102#       200#        7374#       1#    B-   -291#     300#    262 109611#       215#
-  54  158  104  262 Rf   -a  102393#       224#        7370#       1#    B-  -3861#     265#    262 109923#       240#
-  52  157  105  262 Db   -a  106253#       143#        7352#       1#    B-  -2112#     147#    262 114068#       154#
-  50  156  106  262 Sg   -a  108365.771     35.411     7341.185    0.135 B-  -6176#     308#    262 116335.446     38.015
-  48  155  107  262 Bh   -a  114541#       306#        7315#       1#    B-      *              262 122965#       328#
-0 59  161  102  263 No   -a  103129#       490#        7376#       2#    B-   -600#     566#    263 110714#       526#
-  57  160  103  263 Lr   -a  103729#       283#        7371#       1#    B-  -1027#     322#    263 111358#       304#
-  55  159  104  263 Rf   -a  104756#       153#        7364#       1#    B-  -2355#     227#    263 112460#       164#
-  53  158  105  263 Db   -a  107111#       168#        7352#       1#    B-  -3079#     193#    263 114988#       181#
-  51  157  106  263 Sg   -a  110190#        95#        7337#       0#    B-  -4306#     319#    263 118294#       102#
-  49  156  107  263 Bh   -a  114496#       305#        7318#       1#    B-  -5182#     329#    263 122916#       327#
-  47  155  108  263 Hs   -a  119678#       125#        7295#       0#    B-      *              263 128480#       134#
-0 60  162  102  264 No   -a  105011#       591#        7371#       2#    B-  -1366#     734#    264 112734#       634#
-  58  161  103  264 Lr   -a  106377#       436#        7363#       2#    B-    300#     566#    264 114200#       468#
-  56  160  104  264 Rf   -a  106077#       361#        7361#       1#    B-  -3285#     431#    264 113878#       387#
-  54  159  105  264 Db   -a  109362#       235#        7346#       1#    B-  -1420#     368#    264 117405#       253#
-  52  158  106  264 Sg   -a  110782#       283#        7338#       1#    B-  -5276#     334#    264 118929#       304#
-  50  157  107  264 Bh   -a  116058#       177#        7315#       1#    B-  -3506#     180#    264 124593#       190#
-  48  156  108  264 Hs   -a  119563.222     28.881     7298.375    0.109 B-      *              264 128356.405     31.005
-0 59  162  103  265 Lr   -a  108233#       547#        7359#       2#    B-   -457#     655#    265 116193#       587#
-  57  161  104  265 Rf   -a  108690#       361#        7354#       1#    B-  -1793#     424#    265 116683#       387#
-  55  160  105  265 Db   -a  110483#       224#        7344#       1#    B-  -2312#     255#    265 118608#       240#
-  53  159  106  265 Sg   -a  112794#       123#        7333#       0#    B-  -3621#     264#    265 121090#       132#
-  51  158  107  265 Bh   -a  116415#       234#        7316#       1#    B-  -4485#     235#    265 124977#       251#
-  49  157  108  265 Hs   -a  120900.283     23.958     7296.247    0.090 B-  -5778#     452#    265 129791.799     25.719
-  47  156  109  265 Mt   -a  126678#       451#        7271#       2#    B-      *              265 135995#       484#
-0 60  163  103  266 Lr   -a  111622#       583#        7349#       2#    B-   1546#     749#    266 119831#       626#
-  58  162  104  266 Rf   -a  110076#       469#        7352#       2#    B-  -2660#     548#    266 118172#       504#
-  56  161  105  266 Db   -a  112737#       283#        7339#       1#    B-   -881#     374#    266 121028#       304#
-  54  160  106  266 Sg   -a  113618#       245#        7332#       1#    B-  -4487#     294#    266 121973#       263#
-  52  159  107  266 Bh   -a  118104#       163#        7313#       1#    B-  -3032#     167#    266 126790#       175#
-  50  158  108  266 Hs   -a  121136.373     38.695     7298.273    0.145 B-  -6826#     309#    266 130045.252     41.540
-  48  157  109  266 Mt   -a  127962#       307#        7270#       1#    B-      *              266 137373#       329#
-0 59  163  104  267 Rf   -a  113444#       575#        7342#       2#    B-   -630#     707#    267 121787#       617#
-  57  162  105  267 Db   -a  114074#       412#        7336#       2#    B-  -1732#     486#    267 122464#       443#
-  55  161  106  267 Sg   -a  115806#       257#        7327#       1#    B-  -2960#     367#    267 124322#       276#
-  53  160  107  267 Bh   -a  118766#       263#        7313#       1#    B-  -3887#     279#    267 127500#       282#
-  51  159  108  267 Hs   -a  122653#        96#        7295#       0#    B-  -5138#     512#    267 131673#       103#
-  49  158  109  267 Mt   -a  127791#       503#        7273#       2#    B-  -6089#     521#    267 137189#       540#
-  47  157  110  267 Ds   -a  133880#       135#        7248#       1#    B-      *              267 143726#       145#
-0 60  164  104  268 Rf   -a  115476#       662#        7337#       2#    B-  -1586#     848#    268 123968#       711#
-  58  163  105  268 Db   -a  117062#       529#        7328#       2#    B-    260#     707#    268 125671#       568#
-  56  162  106  268 Sg   -a  116802#       469#        7326#       2#    B-  -4005#     605#    268 125392#       504#
-  54  161  107  268 Bh   -a  120807#       381#        7308#       1#    B-  -2023#     475#    268 129691#       409#
-  52  160  108  268 Hs   -a  122830#       283#        7298#       1#    B-  -6321#     367#    268 131863#       304#
-  50  159  109  268 Mt   -a  129151#       233#        7271#       1#    B-  -4497#     381#    268 138649#       250#
-  48  158  110  268 Ds   -a  133648#       301#        7252#       1#    B-      *              268 143477#       324#
-0 59  164  105  269 Db   -a  119148#       624#        7323#       2#    B-   -614#     722#    269 127911#       669#
-  57  163  106  269 Sg   -a  119763#       364#        7318#       1#    B-  -1715#     522#    269 128570#       391#
-  55  162  107  269 Bh   -a  121478#       374#        7309#       1#    B-  -3086#     394#    269 130412#       402#
-  53  161  108  269 Hs   -a  124564#       124#        7294#       0#    B-  -4806#     480#    269 133725#       133#
-  51  160  109  269 Mt   -a  129370#       463#        7273#       2#    B-  -5465#     464#    269 138884#       497#
-  49  159  110  269 Ds   -a  134834.709     31.403     7250.154    0.117 B-      *              269 144751.021     33.712
-0 60  165  105  270 Db   -a  122307#       617#        7314#       2#    B-    816#     831#    270 131302#       662#
-  58  164  106  270 Sg   -a  121491#       557#        7314#       2#    B-  -2735#     627#    270 130426#       598#
-  56  163  107  270 Bh   -a  124226#       287#        7301#       1#    B-   -886#     379#    270 133362#       308#
-  54  162  108  270 Hs   -a  125112#       248#        7295#       1#    B-  -5598#     301#    270 134314#       266#
-  52  161  109  270 Mt   -a  130710#       170#        7271#       1#    B-  -3968#     177#    270 140323#       183#
-  50  160  110  270 Ds   -a  134678.282     48.011     7253.775    0.178 B-      *              270 144583.090     51.542
-0 59  165  106  271 Sg   -a  124757#       585#        7305#       2#    B-  -1164#     718#    271 133932#       628#
-  57  164  107  271 Bh   -a  125921#       415#        7298#       2#    B-  -1819#     501#    271 135182#       446#
-  55  163  108  271 Hs   -a  127740#       280#        7288#       1#    B-  -3361#     433#    271 137135#       301#
-  53  162  109  271 Mt   -a  131101#       330#        7273#       1#    B-  -4847#     344#    271 140742#       354#
-  51  161  110  271 Ds   -a  135948#        97#        7252#       0#    B-      *              271 145946#       104#
-0 60  166  106  272 Sg   -a  126580#       727#        7301#       3#    B-  -2209#     901#    272 135890#       781#
-  58  165  107  272 Bh   -a  128789#       532#        7290#       2#    B-   -217#     737#    272 138261#       571#
-  56  164  108  272 Hs   -a  129006#       510#        7286#       2#    B-  -4575#     704#    272 138494#       547#
-  54  163  109  272 Mt   -a  133581#       485#        7267#       2#    B-  -2433#     637#    272 143406#       521#
-  52  162  110  272 Ds   -a  136015#       413#        7255#       2#    B-  -6758#     474#    272 146018#       443#
-  50  161  111  272 Rg   -a  142773#       233#        7227#       1#    B-      *              272 153273#       251#
-0 61  167  106  273 Sg    x  130018#       503#        7291#       2#    B-   -615#     855#    273 139580#       540#
-  59  166  107  273 Bh   -a  130633#       692#        7286#       3#    B-  -1257#     783#    273 140240#       743#
-  57  165  108  273 Hs   -a  131890#       367#        7279#       1#    B-  -2822#     561#    273 141590#       394#
-  55  164  109  273 Mt   -a  134713#       424#        7265#       2#    B-  -3643#     445#    273 144620#       455#
-  53  163  110  273 Ds   -a  138356#       134#        7249#       0#    B-  -4339#     543#    273 148531#       144#
-  51  162  111  273 Rg   -a  142695#       526#        7231#       2#    B-      *              273 153189#       565#
-0 60  167  107  274 Bh   -a  133682#       619#        7278#       2#    B-    196#     856#    274 143513#       664#
-  58  166  108  274 Hs   -a  133486#       592#        7276#       2#    B-  -3760#     689#    274 143303#       635#
-  56  165  109  274 Mt   -a  137246#       354#        7259#       1#    B-  -1952#     526#    274 147339#       380#
-  54  164  110  274 Ds   -a  139197#       389#        7249#       1#    B-  -5416#     428#    274 149434#       418#
-  52  163  111  274 Rg   -a  144613#       177#        7227#       1#    B-      *              274 155249#       190#
-0 61  168  107  275 Bh    x  135691#       596#        7273#       2#    B-   -929#     837#    275 145670#       640#
-  59  167  108  275 Hs   -a  136620#       587#        7267#       2#    B-  -2209#     721#    275 146667#       631#
-  57  166  109  275 Mt   -a  138829#       418#        7256#       2#    B-  -2736#     586#    275 149039#       449#
-  55  165  110  275 Ds   -a  141565#       410#        7244#       1#    B-  -3731#     661#    275 151976#       441#
-  53  164  111  275 Rg   -a  145296#       519#        7227#       2#    B-      *              275 155981#       557#
-0 60  168  108  276 Hs   -a  138285#       754#        7264#       3#    B-  -3029#     923#    276 148455#       810#
-  58  167  109  276 Mt   -a  141315#       532#        7250#       2#    B-  -1227#     763#    276 151708#       571#
-  56  166  110  276 Ds   -a  142541#       548#        7243#       2#    B-  -4945#     834#    276 153024#       588#
-  54  165  111  276 Rg   -a  147486#       629#        7222#       2#    B-  -2866#     866#    276 158333#       675#
-  52  164  112  276 Cn    x  150352#       596#        7209#       2#    B-      *              276 161410#       640#
-0 61  169  108  277 Hs   -a  141493#       541#        7255#       2#    B-  -1475#     884#    277 151899#       581#
-  59  168  109  277 Mt   -a  142968#       699#        7247#       3#    B-  -2172#     798#    277 153483#       751#
-  57  167  110  277 Ds   -a  145140#       384#        7237#       1#    B-  -3197#     646#    277 155815#       412#
-  55  166  111  277 Rg   -a  148338#       520#        7222#       2#    B-  -4065#     539#    277 159247#       558#
-  53  165  112  277 Cn   -a  152403#       143#        7205#       1#    B-      *              277 163611#       153#
-0 60  169  109  278 Mt   -a  145736#       621#        7240#       2#    B-   -645#     881#    278 156454#       666#
-  58  168  110  278 Ds   -a  146381#       625#        7235#       2#    B-  -4136#     719#    278 157146#       671#
-  56  167  111  278 Rg   -a  150517#       357#        7218#       1#    B-  -2415#     565#    278 161587#       383#
-  54  166  112  278 Cn   -a  152932#       438#        7206#       2#    B-  -5957#     475#    278 164179#       470#
-  52  165  113  278 Ed   -a  158889#       184#        7182#       1#    B-      *              278 170574#       198#
-0 61  170  109  279 Mt   -a  147496#       667#        7237#       2#    B-  -1630#     896#    279 158343#       716#
-  59  169  110  279 Ds   -a  149126#       598#        7228#       2#    B-  -2649#     731#    279 160093#       642#
-  57  168  111  279 Rg   -a  151775#       421#        7216#       2#    B-  -3255#     621#    279 162937#       452#
-  55  167  112  279 Cn   -a  155030#       456#        7202#       2#    B-  -4209#     835#    279 166432#       490#
-  53  166  113  279 Ed    x  159239#       699#        7184#       3#    B-      *              279 170950#       750#
-0 60  170  110  280 Ds   -a  150520#       780#        7226#       3#    B-  -3366#     944#    280 161590#       838#
-  58  169  111  280 Rg   -a  153886#       532#        7212#       2#    B-  -1810#     789#    280 165203#       571#
-  56  168  112  280 Cn   -a  155696#       583#        7202#       2#    B-  -5444#     707#    280 167147#       626#
-  54  167  113  280 Ed    x  161140#       400#        7180#       1#    B-      *              280 172991#       429#
-0 61  171  110  281 Ds   -a  153431#       579#        7219#       2#    B-  -1866#     992#    281 164715#       622#
-  59  170  111  281 Rg   -a  155297#       806#        7210#       3#    B-  -2722#     894#    281 166718#       865#
-  57  169  112  281 Cn   -a  158019#       387#        7197#       1#    B-  -3790#     490#    281 169641#       416#
-  55  168  113  281 Ed    x  161810#       300#        7181#       1#    B-      *              281 173710#       322#
-0 60  171  111  282 Rg   -a  157800#       654#        7204#       2#    B-  -1176#     926#    282 169405#       702#
-  58  170  112  282 Cn   -a  158976#       656#        7197#       2#    B-  -4749#     748#    282 170668#       704#
-  56  169  113  282 Ed   -a  163725#       361#        7177#       1#    B-      *              282 175766#       387#
-0 61  172  111  283 Rg   -a  159281#       697#        7202#       2#    B-  -2205#     925#    283 170995#       748#
-  59  171  112  283 Cn   -a  161486#       608#        7191#       2#    B-  -3221#     748#    283 173362#       653#
-  57  170  113  283 Ed   -a  164707#       436#        7177#       2#    B-      *              283 176820#       468#
-0 60  172  112  284 Cn   -a  162545#       806#        7190#       3#    B-  -4046#     966#    284 174499#       865#
-  58  171  113  284 Ed   -a  166591#       534#        7173#       2#    B-  -2330#     846#    284 178843#       573#
-  56  170  114  284 Fl   -a  168921#       656#        7162#       2#    B-      *              284 181344#       704#
-0 61  173  112  285 Cn   -a  165173#       581#        7184#       2#    B-  -2557#     995#    285 177321#       624#
-  59  172  113  285 Ed   -a  167731#       807#        7173#       3#    B-  -3272#     897#    285 180066#       866#
-  57  171  114  285 Fl   -a  171003#       391#        7158#       1#    B-      *              285 183579#       419#
-0 60  173  113  286 Ed   -a  170014#       656#        7168#       2#    B-  -1758#     928#    286 182518#       704#
-  58  172  114  286 Fl   -a  171773#       657#        7159#       2#    B-      *              286 184406#       705#
-0 61  174  113  287 Ed   -a  171245#       725#        7167#       3#    B-  -2827#     948#    287 183840#       778#
-  59  173  114  287 Fl   -a  174073#       610#        7154#       2#    B-  -3823#     752#    287 186875#       655#
-  57  172  115  287 Ef   -a  177895#       439#        7138#       2#    B-      *              287 190978#       471#
-0 60  174  114  288 Fl   -a  175042#       806#        7154#       3#    B-  -4728#     968#    288 187916#       865#
-  58  173  115  288 Ef   -a  179771#       536#        7135#       2#    B-      *              288 192992#       576#
-0 61  175  114  289 Fl   -a  177564#       584#        7148#       2#    B-  -3102#     997#    289 190623#       626#
-  59  174  115  289 Ef   -a  180666#       809#        7135#       3#    B-  -3861#     947#    289 193953#       868#
-  57  173  116  289 Lv   -a  184528#       492#        7119#       2#    B-      *              289 198099#       529#
-0 60  175  115  290 Ef   -a  182894#       658#        7130#       2#    B-  -2304#     932#    290 196345#       706#
-  58  174  116  290 Lv   -a  185198#       660#        7120#       2#    B-      *              290 198818#       708#
-0 61  176  115  291 Ef   -a  183990#       784#        7130#       3#    B-  -3397#     995#    291 197522#       842#
-  59  175  116  291 Lv   -a  187387#       612#        7116#       2#    B-  -4413#     853#    291 201169#       658#
-  57  174  117  291 Eh   -a  191800#       594#        7098#       2#    B-      *              291 205906#       637#
-0 60  176  116  292 Lv   -a  188242#       806#        7116#       3#    B-  -5334#    1047#    292 202086#       865#
-  58  175  117  292 Eh   -a  193576#       669#        7095#       2#    B-      *              292 207812#       718#
-0 61  177  116  293 Lv   -a  190669#       586#        7111#       2#    B-  -3716#    1000#    293 204691#       629#
-  59  176  117  293 Eh   -a  194385#       810#        7095#       3#    B-  -4488#    1072#    293 208680#       870#
-  57  175  118  293 Ei   -a  198873#       702#        7077#       2#    B-      *              293 213498#       753#
-0 60  177  117  294 Eh   -a  196521#       660#        7092#       2#    B-  -2942#     936#    294 210974#       708#
-  58  176  118  294 Ei   -a  199463#       663#        7079#       2#    B-      *              294 214132#       712#
-0 59  177  118  295 Ei   -a  201512#       644#        7075#       2#    B-      *              295 216332#       692#
diff --git a/openmc/data/mass_1.mas20.txt b/openmc/data/mass_1.mas20.txt
new file mode 100644
index 000000000..ce12b2c4a
--- /dev/null
+++ b/openmc/data/mass_1.mas20.txt
@@ -0,0 +1,3594 @@
+1    a0dsskgw                                 A T O M I C   M A S S   A D J U S T M E N T
+0                                                     DATE  3 Mar 2021 TIME 22:41
+0        *********************                               A=   0 TO 295
+         * file : mass.mas20 *
+         *********************
+
+   This is one file out of a series of 3 files published in:
+       "The Ame2020 atomic mass evaluation (I)"   by W.J.Huang, M.Wang, F.G.Kondev, G.Audi and S.Naimi
+           Chinese Physics C45, 030002, March 2021.
+       "The Ame2020 atomic mass evaluation (II)"  by M.Wang, W.J.Huang, F.G.Kondev, G.Audi and S.Naimi
+           Chinese Physics C45, 030003, March 2021.
+                       for files : mass.mas20 : atomic masses
+                                   rct1.mas20 : react and sep energies,  part 1
+                                   rct2.mas20 : react and sep energies,  part 2
+   A fourth file  is the "Rounded" version of the atomic mass table (the first file)
+                                   massround.mas20  atomic masses "Rounded" version
+
+   Values in files 1, 2 and 3 are unrounded version of the published ones
+   Values in file  4          are exact copy of the published ones
+
+   col 1     :  Fortran character control: 1 = page feed  0 = line feed
+   format    :  a1,i3,i5,i5,i5,1x,a3,a4,1x,f14.6,f12.6,f13.5,1x,f10.5,1x,a2,f13.5,f11.5,1x,i3,1x,f13.6,f12.6
+                cc NZ  N  Z  A    el  o     mass  unc binding unc      B  beta  unc    atomic_mass   unc
+   Warnings  :  this format is not identical to that used in AME2016;
+                one more digit is added to the "BINDING ENERGY/A", "BETA-DECAY ENERGY" and "ATOMIC-MASS" values and their uncertainties;
+                # in a place of decimal point : estimated (non-experimental) value;
+                * in a place of value : the not calculable quantity
+
+....+....1....+....2....+....3....+....4....+....5....+....6....+....7....+....8....+....9....+...10....+...11....+...12....+...13
+
+
+                                                               MASS LIST
+                                                             for analysis
+
+1N-Z    N    Z   A  EL    O     MASS EXCESS           BINDING ENERGY/A        BETA-DECAY ENERGY               ATOMIC MASS
+                                   (keV)                  (keV)                    (keV)                        (micro-u)
+0  1    1    0    1  n         8071.31806     0.00044       0.0        0.0     B-    782.3470     0.0004    1 008664.91590     0.00047
+  -1    0    1    1 H          7288.971064    0.000013      0.0        0.0     B-      *                    1 007825.031898    0.000014
+0  0    1    1    2 H         13135.722895    0.000015   1112.2831     0.0002  B-      *                    2 014101.777844    0.000015
+0  1    2    1    3 H         14949.81090     0.00008    2827.2654     0.0003  B-     18.59202    0.00006   3 016049.28132     0.00008
+  -1    1    2    3 He        14931.21888     0.00006    2572.68044    0.00015 B- -13736#      2000#        3 016029.32197     0.00006
+  -3    0    3    3 Li  -pp   28667#       2000#        -2267#       667#      B-      *                    3 030775#       2147#
+0  2    3    1    4 H    -n   24621.129     100.000      1720.4491    25.0000  B-  22196.2131   100.0000    4 026431.867     107.354
+   0    2    2    4 He         2424.91587     0.00015    7073.9156     0.0002  B- -22898.2740   212.1320    4 002603.25413     0.00016
+  -2    1    3    4 Li   -p   25323.190     212.132      1153.7603    53.0330  B-      *                    4 027185.561     227.733
+0  3    4    1    5 H   -nn   32892.447      89.443      1336.3592    17.8885  B-  21661.2131    91.6515    5 035311.492      96.020
+   1    3    2    5 He   -n   11231.234      20.000      5512.1325     4.0000  B-   -447.6529    53.8516    5 012057.224      21.470
+  -1    2    3    5 Li   -p   11678.887      50.000      5266.1325    10.0000  B- -25460#      2003#        5 012537.800      53.677
+  -3    1    4    5 Be    x   37139#       2003#           18#       401#      B-      *                    5 039870#       2150#
+0  4    5    1    6 H   -3n   41875.725     254.127       961.6395    42.3545  B-  24283.6294   254.1268    6 044955.437     272.816
+   2    4    2    6 He        17592.095       0.053      4878.5199     0.0089  B-   3505.2147     0.0532    6 018885.889       0.057
+   0    3    3    6 Li        14086.88044     0.00144    5332.3312     0.0003  B-  -4288.1534     5.4478    6 015122.88742     0.00155
+  -2    2    4    6 Be    -   18375.034       5.448      4487.2478     0.9080  B- -28945#      2003#        6 019726.409       5.848
+  -4    1    5    6 B     x   47320#       2003#         -467#       334#      B-      *                    6 050800#       2150#
+0  5    6    1    7 H   -nn   49135#       1004#          940#       143#      B-  23062#      1004#        7 052749#       1078#
+   3    5    2    7 He   -n   26073.128       7.559      4123.0578     1.0799  B-  11166.0229     7.5595    7 027990.652       8.115
+   1    4    3    7 Li        14907.10463     0.00419    5606.4401     0.0006  B-   -861.8930     0.0707    7 016003.43426     0.00450
+  -1    3    4    7 Be        15768.998       0.071      5371.5487     0.0101  B- -11907.5551    25.1504    7 016928.714       0.076
+  -3    2    5    7 B   p4n   27676.553      25.150      3558.7055     3.5929  B-      *                    7 029712.000      27.000
+0  4    6    2    8 He        31609.683       0.089      3924.5210     0.0111  B-  10663.8784     0.1005    8 033934.388       0.095
+   2    5    3    8 Li        20945.805       0.047      5159.7124     0.0059  B-  16004.1329     0.0591    8 022486.244       0.050
+   0    4    4    8 Be   -a    4941.672       0.035      7062.4356     0.0044  B- -17979.8973     1.0005    8 005305.102       0.037
+  -2    3    5    8 B         22921.569       1.000      4717.1551     0.1250  B- -12142.7002    18.2704    8 024607.315       1.073
+  -4    2    6    8 C         35064.269      18.243      3101.5242     2.2804  B-      *                    8 037643.039      19.584
+0  5    7    2    9 He        40935.826      46.816      3349.0380     5.2018  B-  15980.9213    46.8169    9 043946.414      50.259
+   3    6    3    9 Li  -3n   24954.905       0.186      5037.7685     0.0207  B-  13606.4541     0.2014    9 026790.191       0.200
+   1    5    4    9 Be        11348.451       0.076      6462.6693     0.0085  B-  -1068.0349     0.8994    9 012183.062       0.082
+  -1    4    5    9 B     -   12416.486       0.903      6257.0713     0.1003  B- -16494.4854     2.3195    9 013329.645       0.969
+  -3    3    6    9 C   -pp   28910.971       2.137      4337.4233     0.2374  B-      *                    9 031037.202       2.293
+0  6    8    2   10 He  -nn   49197.147      92.848      2995.1340     9.2848  B-  16144.5191    93.7152   10 052815.306      99.676
+   4    7    3   10 Li   -n   33052.628      12.721      4531.3512     1.2721  B-  20445.1411    12.7216   10 035483.453      13.656
+   2    6    4   10 Be        12607.487       0.081      6497.6306     0.0081  B-    556.8759     0.0822   10 013534.692       0.086
+   0    5    5   10 B         12050.611       0.015      6475.0835     0.0015  B-  -3648.0623     0.0687   10 012936.862       0.016
+  -2    4    6   10 C         15698.673       0.070      6032.0426     0.0070  B- -23101.3545   400.0000   10 016853.217       0.075
+  -4    3    7   10 N    --   38800.027     400.000      3643.6724    40.0000  B-      *                   10 041653.540     429.417
+0  5    8    3   11 Li    x   40728.259       0.615      4155.3817     0.0559  B-  20551.0898     0.6591   11 043723.581       0.660
+   3    7    4   11 Be        20177.169       0.238      5952.5402     0.0216  B-  11509.4607     0.2380   11 021661.080       0.255
+   1    6    5   11 B          8667.708       0.012      6927.7323     0.0011  B-  -1981.6889     0.0608   11 009305.166       0.013
+  -1    5    6   11 C         10649.397       0.060      6676.4563     0.0054  B- -13716.2469     5.0008   11 011432.597       0.064
+  -3    4    7   11 N    -p   24365.644       5.000      5358.4023     0.4546  B- -23373.2693    60.2459   11 026157.593       5.368
+  -5    3    8   11 O   -pp   47738.913      60.038      3162.4372     5.4580  B-      *                   11 051249.828      64.453
+0  6    9    3   12 Li   -n   49009.577      30.006      3791.5999     2.5005  B-  23931.8152    30.0669   12 052613.942      32.213
+   4    8    4   12 Be        25077.761       1.909      5720.7223     0.1590  B-  11708.3636     2.3214   12 026922.082       2.048
+   2    7    5   12 B         13369.398       1.321      6631.2237     0.1101  B-  13369.3979     1.3214   12 014352.638       1.418
+   0    6    6   12 C             0.0         0.0        7680.1446     0.0002  B- -17338.0681     0.9999   12 000000.0         0.0
+  -2    5    7   12 N         17338.068       1.000      6170.1100     0.0833  B- -14675.2668    12.0418   12 018613.180       1.073
+  -4    4    8   12 O   -pp   32013.335      12.000      4881.9755     1.0000  B-      *                   12 034367.726      12.882
+0  7   10    3   13 Li  -nn   56980.895      70.003      3507.6307     5.3848  B-  23321.8152    70.7391   13 061171.503      75.150
+   5    9    4   13 Be   -n   33659.080      10.180      5241.4359     0.7831  B-  17097.1315    10.2295   13 036134.506      10.929
+   3    8    5   13 B   -nn   16561.948       1.000      6496.4194     0.0769  B-  13436.9387     1.0001   13 017779.981       1.073
+   1    7    6   13 C          3125.00933     0.00023    7469.8495     0.0002  B-  -2220.4718     0.2695   13 003354.83534     0.00025
+  -1    6    7   13 N    -p    5345.481       0.270      7238.8634     0.0207  B- -17769.9506     9.5301   13 005738.609       0.289
+  -3    5    8   13 O   +3n   23115.432       9.526      5811.7636     0.7328  B- -18915#       500#       13 024815.435      10.226
+  -5    4    9   13 F     x   42030#        500#         4297#        38#      B-      *                   13 045121#        537#
+0  6   10    4   14 Be    x   39954.502     132.245      4993.8973     9.4461  B-  16290.8166   133.9357   14 042892.920     141.970
+   4    9    5   14 B         23663.686      21.213      6101.6451     1.5152  B-  20643.7926    21.2133   14 025404.010      22.773
+   2    8    6   14 C          3019.89328     0.00375    7520.3198     0.0004  B-    156.4765     0.0037   14 003241.98862     0.00403
+   0    7    7   14 N          2863.41683     0.00022    7475.6148     0.0002  B-  -5144.3643     0.0252   14 003074.00425     0.00024
+  -2    6    8   14 O          8007.781       0.025      7052.2783     0.0018  B- -23956.6215    41.1187   14 008596.706       0.027
+  -4    5    9   14 F    -p   31964.403      41.119      5285.2091     2.9371  B-      *                   14 034315.196      44.142
+0  7   11    4   15 Be   -n   49825.821     165.797      4540.9708    11.0532  B-  20868.4411   167.1256   15 053490.215     177.990
+   5   10    5   15 B         28957.379      21.029      5880.0438     1.4019  B-  19084.2343    21.0442   15 031087.023      22.575
+   3    9    6   15 C    -n    9873.145       0.800      7100.1696     0.0533  B-   9771.7071     0.8000   15 010599.256       0.858
+   1    8    7   15 N           101.43809     0.00058    7699.4603     0.0002  B-  -2754.1841     0.4902   15 000108.89827     0.00062
+  -1    7    8   15 O          2855.622       0.490      7463.6915     0.0327  B- -13711.1300    14.0086   15 003065.636       0.526
+  -3    6    9   15 F    -p   16566.752      14.000      6497.4597     0.9333  B- -23648.6215    68.1377   15 017785.139      15.029
+  -5    5   10   15 Ne  -pp   40215.374      66.684      4868.7285     4.4456  B-      *                   15 043172.977      71.588
+0  8   12    4   16 Be  -nn   57447.139     165.797      4285.2851    10.3623  B-  20335.4399   167.6075   16 061672.036     177.990
+   6   11    5   16 B         37111.699      24.566      5507.3535     1.5354  B-  23417.5656    24.8254   16 039841.045      26.373
+   4   10    6   16 C   -nn   13694.133       3.578      6922.0546     0.2236  B-   8010.2260     4.2540   16 014701.255       3.840
+   2    9    7   16 N    -n    5683.907       2.301      7373.7971     0.1438  B-  10420.9094     2.3014   16 006101.925       2.470
+   0    8    8   16 O         -4737.00217     0.00030    7976.2072     0.0002  B- -15412.1840     5.3642   15 994914.61926     0.00032
+  -2    7    9   16 F         10675.182       5.364      6964.0490     0.3353  B- -13311.5932    21.1709   16 011460.278       5.758
+  -4    6   10   16 Ne   --   23986.775      20.480      6083.1777     1.2800  B-      *                   16 025750.860      21.986
+0  7   12    5   17 B     x   43716.322     204.104      5269.6677    12.0061  B-  22684.4422   204.8410   17 046931.399     219.114
+   5   11    6   17 C  2p-n   21031.880      17.365      6558.0262     1.0215  B-  13161.8007    22.9464   17 022578.650      18.641
+   3   10    7   17 N    +p    7870.079      15.000      7286.2294     0.8824  B-   8678.8430    15.0000   17 008448.876      16.103
+   1    9    8   17 O          -808.76421     0.00064    7750.7291     0.0002  B-  -2760.4655     0.2479   16 999131.75595     0.00069
+  -1    8    9   17 F          1951.701       0.248      7542.3284     0.0146  B- -14548.7507     0.4323   17 002095.237       0.266
+  -3    7   10   17 Ne        16500.452       0.354      6640.4991     0.0208  B- -18219.1277    59.6167   17 017713.962       0.380
+  -5    6   11   17 Na    x   34719.580      59.616      5522.7653     3.5068  B-      *                   17 037273.000      64.000
+0  8   13    5   18 B    -n   51792.640     204.165      4976.6306    11.3425  B-  26873.3742   206.3572   18 055601.683     219.180
+   6   12    6   18 C    ++   24919.266      30.000      6426.1321     1.6667  B-  11806.0982    35.2821   18 026751.930      32.206
+   4   11    7   18 N     +   13113.167      18.570      7038.5627     1.0316  B-  13895.9838    18.5695   18 014077.563      19.935
+   2   10    8   18 O          -782.81634     0.00064    7767.0981     0.0002  B-  -1655.9288     0.4633   17 999159.61214     0.00069
+   0    9    9   18 F           873.112       0.463      7631.6383     0.0257  B-  -4444.5049     0.5888   18 000937.324       0.497
+  -2    8   10   18 Ne         5317.617       0.363      7341.2577     0.0202  B- -19720.3745    93.8819   18 005708.696       0.390
+  -4    7   11   18 Na        25037.992      93.881      6202.2176     5.2156  B-      *                   18 026879.388     100.785
+0  9   14    5   19 B     x   59770.251     525.363      4719.6346    27.6507  B-  27356.4961   534.4964   19 064166.000     564.000
+   7   13    6   19 C    -n   32413.754      98.389      6118.2740     5.1784  B-  16557.4995    99.7475   19 034797.594     105.625
+   5   12    7   19 N  p-2n   15856.255      16.404      6948.5452     0.8634  B-  12523.3972    16.6143   19 017022.389      17.610
+   3   11    8   19 O    -n    3332.858       2.637      7566.4952     0.1388  B-   4820.3029     2.6370   19 003577.969       2.830
+   1   10    9   19 F         -1487.44512     0.00082    7779.0192     0.0002  B-  -3239.4986     0.1601   18 998403.16207     0.00088
+  -1    9   10   19 Ne  +3n    1752.054       0.160      7567.3431     0.0084  B- -11177.3310    10.5364   19 001880.906       0.171
+  -3    8   11   19 Na        12929.384      10.535      6937.8864     0.5545  B- -18909.0095    60.9189   19 013880.264      11.309
+  -5    7   12   19 Mg  -pp   31838.394      60.001      5901.4992     3.1579  B-      *                   19 034179.920      64.413
+0 10   15    5   20 B    -n   69401.569     546.357      4405.6529    27.3178  B-  31898.0019   593.0377   20 074505.644     586.538
+   8   14    6   20 C     x   37503.567     230.625      5961.4356    11.5312  B-  15737.0689   243.7459   20 040261.732     247.585
+   6   13    7   20 N     x   21766.498      78.894      6709.1717     3.9447  B-  17970.3261    78.8991   20 023367.295      84.696
+   4   12    8   20 O   -nn    3796.172       0.885      7568.5707     0.0442  B-   3813.6349     0.8854   20 004075.357       0.950
+   2   11    9   20 F    -n     -17.463       0.030      7720.1351     0.0015  B-   7024.4689     0.0297   19 999981.252       0.031
+   0   10   10   20 Ne        -7041.93217     0.00154    8032.2412     0.0002  B- -13892.4207     1.1090   19 992440.17525     0.00165
+  -2    9   11   20 Na         6850.489       1.109      7298.5028     0.0554  B- -10627.2054     2.1681   20 007354.301       1.190
+  -4    8   12   20 Mg   +t   17477.694       1.863      6728.0252     0.0931  B-      *                   20 018763.075       2.000
+0 11   16    5   21 B   -nn   78382.887     558.664      4152.5265    26.6031  B-  32740#       817#       21 084147.485     599.750
+   9   15    6   21 C     x   45643#        596#         5674#        28#      B-  20411#       611#       21 049000#        640#
+   7   14    7   21 N     x   25231.915     134.048      6609.0159     6.3832  B-  17169.8816   134.5840   21 027087.573     143.906
+   5   13    8   21 O   -3n    8062.034      12.000      7389.3747     0.5714  B-   8109.6390    12.1342   21 008654.948      12.882
+   3   12    9   21 F   -nn     -47.605       1.800      7738.2934     0.0857  B-   5684.1712     1.8004   20 999948.893       1.932
+   1   11   10   21 Ne        -5731.776       0.038      7971.7136     0.0018  B-  -3546.9190     0.0177   20 993846.685       0.041
+  -1   10   11   21 Na        -2184.857       0.042      7765.5581     0.0020  B- -13088.7080     0.7557   20 997654.459       0.045
+  -3    9   12   21 Mg    x   10903.851       0.755      7105.0317     0.0359  B- -16186#       600#       21 011705.764       0.810
+  -5    8   13   21 Al    x   27090#        600#         6297#        29#      B-      *                   21 029082#        644#
+0 10   16    6   22 C   -nn   53611.203     231.490      5421.0778    10.5223  B-  21846.3983   311.0627   22 057553.990     248.515
+   8   15    7   22 N     x   31764.805     207.779      6378.5347     9.4445  B-  22481.7725   215.4350   22 034100.918     223.060
+   6   14    8   22 O   -4n    9283.032      56.921      7364.8722     2.5873  B-   6489.6562    58.2558   22 009965.744      61.107
+   4   13    9   22 F     +    2793.376      12.399      7624.2954     0.5636  B-  10818.0916    12.3990   22 002998.812      13.310
+   2   12   10   22 Ne        -8024.716       0.018      8080.4656     0.0008  B-  -2843.3243     0.1325   21 991385.113       0.018
+   0   11   11   22 Na        -5181.391       0.132      7915.6624     0.0060  B-  -4781.4051     0.1631   21 994437.547       0.141
+  -2   10   12   22 Mg         -399.986       0.159      7662.7645     0.0072  B- -18601#       401#       21 999570.597       0.170
+  -4    9   13   22 Al    x   18201#        401#         6782#        18#      B- -15439#       641#       22 019540#        430#
+  -6    8   14   22 Si    x   33640#        500#         6044#        23#      B-      *                   22 036114#        537#
+0 11   17    6   23 C     x   64171#        997#         5077#        43#      B-  27450#      1082#       23 068890#       1070#
+   9   16    7   23 N     x   36720.429     420.570      6236.6721    18.2856  B-  22099.0584   437.8271   23 039421.000     451.500
+   7   15    8   23 O     x   14621.371     121.712      7163.4856     5.2918  B-  11336.1072   126.1904   23 015696.686     130.663
+   5   14    9   23 F          3285.263      33.320      7622.3447     1.4487  B-   8439.3084    33.3206   23 003526.875      35.770
+   3   13   10   23 Ne   -n   -5154.045       0.104      7955.2561     0.0045  B-   4375.8085     0.1044   22 994466.905       0.112
+   1   12   11   23 Na        -9529.85352     0.00181    8111.4936     0.0002  B-  -4056.1790     0.0317   22 989769.28195     0.00194
+  -1   11   12   23 Mg    -   -5473.675       0.032      7901.1229     0.0014  B- -12221.7457     0.3461   22 994123.768       0.034
+  -3   10   13   23 Al   --    6748.071       0.345      7335.7275     0.0150  B- -17202#       500#       23 007244.351       0.370
+  -5    9   14   23 Si    x   23950#        500#         6554#        22#      B-      *                   23 025711#        537#
+0 10   17    7   24 N     x   46938#        401#         5887#        17#      B-  28438#       433#       24 050390#        430#
+   8   16    8   24 O     x   18500.404     164.874      7039.6855     6.8698  B-  10955.8885   191.6327   24 019861.000     177.000
+   6   15    9   24 F     x    7544.516      97.670      7463.5831     4.0696  B-  13496.1583    97.6717   24 008099.370     104.853
+   4   14   10   24 Ne  -nn   -5951.642       0.513      7993.3252     0.0214  B-   2466.2583     0.5130   23 993610.649       0.550
+   2   13   11   24 Na   -n   -8417.901       0.017      8063.4882     0.0007  B-   5515.6774     0.0210   23 990963.012       0.017
+   0   12   12   24 Mg       -13933.578       0.013      8260.7103     0.0006  B- -13884.7660     0.2282   23 985041.689       0.013
+  -2   11   13   24 Al          -48.812       0.228      7649.5806     0.0095  B- -10793.9978    19.4734   23 999947.598       0.244
+  -4   10   14   24 Si   --   10745.186      19.472      7167.2329     0.8113  B- -23275#       501#       24 011535.430      20.904
+  -6    9   15   24 P     x   34020#        500#         6165#        21#      B-      *                   24 036522#        537#
+0 11   18    7   25 N     x   55983#        503#         5613#        20#      B-  28654#       529#       25 060100#        540#
+   9   17    8   25 O    -n   27329.030     165.084      6727.8058     6.6034  B-  15994.8633   191.1909   25 029338.919     177.225
+   7   16    9   25 F     x   11334.167      96.442      7336.3065     3.8577  B-  13369.6698   100.7212   25 012167.727     103.535
+   5   15   10   25 Ne        -2035.503      29.045      7839.7994     1.1618  B-   7322.3107    29.0701   24 997814.797      31.181
+   3   14   11   25 Na  -nn   -9357.814       1.200      8101.3979     0.0480  B-   3834.9684     1.2009   24 989953.974       1.288
+   1   13   12   25 Mg       -13192.782       0.047      8223.5028     0.0019  B-  -4276.8080     0.0447   24 985836.966       0.050
+  -1   12   13   25 Al        -8915.974       0.065      8021.1366     0.0026  B- -12743.2956    10.0002   24 990428.308       0.069
+  -3   11   14   25 Si  +3n    3827.322      10.000      7480.1109     0.4000  B- -16363#       400#       25 004108.798      10.735
+  -5   10   15   25 P     x   20190#        400#         6794#        16#      B-      *                   25 021675#        429#
+0 10   18    8   26 O   -nn   34661.041     164.950      6497.4790     6.3442  B-  15986.3855   196.6301   26 037210.155     177.081
+   8   17    9   26 F         18674.655     107.027      7082.2497     4.1164  B-  18193.5414   108.6022   26 020048.065     114.898
+   6   16   10   26 Ne    x     481.114      18.429      7751.9110     0.7088  B-   7341.8940    18.7585   26 000516.496      19.784
+   4   15   11   26 Na    x   -6860.780       3.502      8004.2013     0.1347  B-   9353.7631     3.5018   25 992634.649       3.759
+   2   14   12   26 Mg       -16214.544       0.029      8333.8711     0.0011  B-  -4004.4042     0.0629   25 982592.972       0.031
+   0   13   13   26 Al       -12210.139       0.066      8149.7653     0.0026  B-  -5069.1361     0.0849   25 986891.876       0.071
+  -2   12   14   26 Si    -   -7141.003       0.108      7924.7083     0.0041  B- -18114#       196#       25 992333.818       0.115
+  -4   11   15   26 P     x   10973#        196#         7198#         8#      B- -16707#       631#       26 011780#        210#
+  -6   10   16   26 S     x   27680#        600#         6525#        23#      B-      *                   26 029716#        644#
+0 11   19    8   27 O     x   44670#        500#         6185#        19#      B-  19536#       514#       27 047955#        537#
+   9   18    9   27 F         25133.478     120.198      6879.6662     4.4518  B-  18082.5680   150.6211   27 026981.897     129.037
+   7   17   10   27 Ne    x    7050.910      90.770      7520.4151     3.3619  B-  12568.7005    90.8467   27 007569.462      97.445
+   5   16   11   27 Na   ++   -5517.791       3.726      7956.9467     0.1380  B-   9068.8037     3.7266   26 994076.408       4.000
+   3   15   12   27 Mg       -14586.594       0.047      8263.8525     0.0018  B-   2610.2694     0.0669   26 984340.647       0.050
+   1   14   13   27 Al       -17196.864       0.047      8331.5533     0.0018  B-  -4812.3583     0.0964   26 981538.408       0.050
+  -1   13   14   27 Si    -  -12384.505       0.107      8124.3420     0.0040  B- -11725.4730     9.0013   26 986704.687       0.115
+  -3   12   15   27 P    -p    -659.032       9.001      7661.0894     0.3334  B- -18150#       400#       26 999292.499       9.662
+  -5   11   16   27 S     -   17491#        400#         6960#        15#      B-      *                   27 018777#        430#
+0 12   20    8   28 O     x   52080#        699#         5988#        25#      B-  18676#       709#       28 055910#        750#
+  10   19    9   28 F    -n   33403.796     120.347      6626.8567     4.2981  B-  22104.0579   174.2886   28 035860.448     129.198
+   8   18   10   28 Ne    x   11299.738     126.068      7388.3463     4.5024  B-  12288.0534   126.4833   28 012130.767     135.339
+   6   17   11   28 Na    x    -988.315      10.246      7799.2644     0.3659  B-  14031.6303    10.2498   27 998939.000      11.000
+   4   16   12   28 Mg    x  -15019.946       0.261      8272.4531     0.0093  B-   1830.7740     0.2653   27 983875.426       0.280
+   2   15   13   28 Al   -n  -16850.719       0.049      8309.8969     0.0018  B-   4642.0776     0.0486   27 981910.009       0.052
+   0   14   14   28 Si       -21492.79711     0.00051    8447.7445     0.0002  B- -14344.9407     1.1473   27 976926.53442     0.00055
+  -2   13   15   28 P         -7147.856       1.147      7907.4842     0.0410  B- -11221.0593   160.0041   27 992326.460       1.231
+  -4   12   16   28 S    --    4073.203     160.000      7478.7911     5.7143  B- -24197#       525#       28 004372.762     171.767
+  -6   11   17   28 Cl   -p   28270#        500#         6587#        18#      B-      *                   28 030349#        537#
+0 11   20    9   29 F     x   40150.190     525.363      6444.0314    18.1160  B-  21750.3873   546.2212   29 043103.000     564.000
+   9   19   10   29 Ne    x   18399.803     149.505      7167.0673     5.1553  B-  15719.8092   149.6847   29 019753.000     160.500
+   7   18   11   29 Na         2679.994       7.337      7682.1522     0.2530  B-  13292.3538     7.3447   29 002877.091       7.876
+   5   17   12   29 Mg       -10612.360       0.345      8113.5317     0.0119  B-   7595.4023     0.4873   28 988607.163       0.369
+   3   16   13   29 Al    x  -18207.762       0.345      8348.4647     0.0119  B-   3687.3192     0.3447   28 980453.164       0.370
+   1   15   14   29 Si       -21895.08154     0.00056    8448.6361     0.0002  B-  -4942.2325     0.3589   28 976494.66434     0.00060
+  -1   14   15   29 P        -16952.849       0.359      8251.2368     0.0124  B- -13858.4257    13.0459   28 981800.368       0.385
+  -3   13   16   29 S     x   -3094.423      13.041      7746.3826     0.4497  B- -17117#       189#       28 996678.000      14.000
+  -5   12   17   29 Cl   -p   14022#        189#         7129#         7#      B- -23947#       478#       29 015053#        203#
+  -7   11   18   29 Ar  -pp   37969#        439#         6276#        15#      B-      *                   29 040761#        471#
+0 12   21    9   30 F     x   48960#        500#         6205#        17#      B-  25680#       561#       30 052561#        537#
+  10   20   10   30 Ne        23280.120     253.250      7034.5317     8.4417  B-  14805.4501   253.2946   30 024992.235     271.875
+   8   19   11   30 Na         8474.670       4.727      7501.9685     0.1576  B-  17356.0423     4.9011   30 009097.931       5.074
+   6   18   12   30 Mg        -8881.373       1.295      8054.4250     0.0432  B-   6982.7440     2.3287   29 990465.454       1.390
+   4   17   13   30 Al       -15864.116       1.936      8261.1049     0.0645  B-   8568.8459     1.9357   29 982969.171       2.077
+   2   16   14   30 Si   -n  -24432.962       0.022      8520.6549     0.0008  B-  -4232.1065     0.0615   29 973770.137       0.023
+   0   15   15   30 P     -  -20200.856       0.065      8353.5064     0.0022  B-  -6141.6014     0.1956   29 978313.490       0.069
+  -2   14   16   30 S     -  -14059.254       0.206      8122.7081     0.0069  B- -18733.8020    23.8769   29 984906.770       0.221
+  -4   13   17   30 Cl   -p    4674.548      23.876      7472.1698     0.7959  B- -17397#       180#       30 005018.333      25.631
+  -6   12   18   30 Ar  -pp   22071#        179#         6866#         6#      B-      *                   30 023694#        192#
+0 13   22    9   31 F   -nn   56843#        535#         6011#        17#      B-  25661#       597#       31 061023#        574#
+  11   21   10   31 Ne        31181.594     266.195      6813.0902     8.5869  B-  18935.5625   266.5617   31 033474.816     285.772
+   9   20   11   31 Na    x   12246.031      13.972      7398.6778     0.4507  B-  15368.1833    14.3065   31 013146.654      15.000
+   7   19   12   31 Mg    x   -3122.152       3.074      7869.1886     0.0992  B-  11828.5569     3.8009   30 996648.232       3.300
+   5   18   13   31 Al    x  -14950.709       2.236      8225.5180     0.0721  B-   7998.3286     2.2360   30 983949.754       2.400
+   3   17   14   31 Si   -n  -22949.037       0.043      8458.2916     0.0014  B-   1491.5071     0.0434   30 975363.196       0.046
+   1   16   15   31 P        -24440.54442     0.00075    8481.1677     0.0002  B-  -5398.0130     0.2292   30 973761.99768     0.00080
+  -1   15   16   31 S        -19042.531       0.229      8281.8013     0.0074  B- -12007.9790     3.4541   30 979557.002       0.246
+  -3   14   17   31 Cl   --   -7034.552       3.447      7869.2101     0.1112  B- -18360#       200#       30 992448.097       3.700
+  -5   13   18   31 Ar    -   11325#        200#         7252#         6#      B- -22935#       361#       31 012158#        215#
+  -7   12   19   31 K     x   34260#        300#         6487#        10#      B-      *                   31 036780#        322#
+0 12   22   10   32 Ne    x   36999#        503#         6671#        16#      B-  18359#       504#       32 039720#        540#
+  10   21   11   32 Na    x   18640.152      37.260      7219.8815     1.1644  B-  19469.0523    37.4021   32 020011.024      40.000
+   8   20   12   32 Mg    x    -828.901       3.260      7803.8411     0.1019  B-  10270.4677     7.8787   31 999110.138       3.500
+   6   19   13   32 Al    x  -11099.368       7.173      8100.3449     0.2241  B-  12978.3208     7.1787   31 988084.338       7.700
+   4   18   14   32 Si    x  -24077.689       0.298      8481.4690     0.0093  B-    227.1872     0.3008   31 974151.538       0.320
+   2   17   15   32 P    -n  -24304.876       0.040      8464.1203     0.0013  B-   1710.6608     0.0400   31 973907.643       0.042
+   0   16   16   32 S        -26015.53714     0.00131    8493.1301     0.0002  B- -12680.8313     0.5617   31 972071.17354     0.00141
+  -2   15   17   32 Cl       -13334.706       0.562      8072.4058     0.0176  B- -11134.3536     1.8568   31 985684.605       0.603
+  -4   14   18   32 Ar    x   -2200.352       1.770      7700.0089     0.0553  B- -24190#       400#       31 997637.824       1.900
+  -6   13   19   32 K     x   21990#        400#         6920#        12#      B-      *                   32 023607#        429#
+0 13   23   10   33 Ne    x   46130#        600#         6436#        18#      B-  22350#       750#       33 049523#        644#
+  11   22   11   33 Na    x   23780.113     449.912      7089.9262    13.6337  B-  18817.2400   449.9195   33 025529.000     483.000
+   9   21   12   33 Mg         4962.873       2.663      7636.4382     0.0807  B-  13460.2550     7.4767   33 005327.862       2.859
+   7   20   13   33 Al    x   -8497.382       6.986      8020.6172     0.2117  B-  12016.9460     7.0211   32 990877.685       7.500
+   5   19   14   33 Si    x  -20514.328       0.699      8361.0596     0.0212  B-   5823.0223     1.2947   32 977976.964       0.750
+   3   18   15   33 P     +  -26337.350       1.090      8513.8073     0.0330  B-    248.5079     1.0900   32 971725.692       1.170
+   1   17   16   33 S        -26585.85830     0.00134    8497.6304     0.0002  B-  -5582.5182     0.3908   32 971458.90862     0.00144
+  -1   16   17   33 Cl       -21003.340       0.391      8304.7557     0.0118  B- -11619.0452     0.5596   32 977451.988       0.419
+  -3   15   18   33 Ar    x   -9384.295       0.401      7928.9559     0.0121  B- -16925#       200#       32 989925.545       0.430
+  -5   14   19   33 K     x    7540#        200#         7392#         6#      B- -23489#       447#       33 008095#        215#
+  -7   13   20   33 Ca    x   31030#        400#         6657#        12#      B-      *                   33 033312#        429#
+0 14   24   10   34 Ne  -nn   52842#        513#         6287#        15#      B-  21161#       789#       34 056728#        551#
+  12   23   11   34 Na    x   31680.114     599.416      6886.4377    17.6299  B-  23356.7903   599.4561   34 034010.000     643.500
+  10   22   12   34 Mg    x    8323.324       6.893      7550.3919     0.2027  B-  11320.9428     7.2072   34 008935.455       7.400
+   8   21   13   34 Al    x   -2997.619       2.105      7860.3506     0.0619  B-  16994.0653     2.2519   33 996781.924       2.259
+   6   20   14   34 Si    x  -19991.684       0.801      8337.1659     0.0236  B-   4557.0175     1.1395   33 978538.045       0.860
+   4   19   15   34 P     x  -24548.702       0.810      8448.1856     0.0238  B-   5382.9879     0.8116   33 973645.886       0.870
+   2   18   16   34 S        -29931.689       0.045      8583.4986     0.0013  B-  -5491.6037     0.0378   33 967867.011       0.047
+   0   17   17   34 Cl       -24440.086       0.049      8398.9706     0.0014  B-  -6061.7930     0.0631   33 973762.490       0.052
+  -2   16   18   34 Ar       -18378.293       0.078      8197.6724     0.0023  B- -17158#       196#       33 980270.092       0.083
+  -4   15   19   34 K     x   -1220#        196#         7670#         6#      B- -16110#       358#       33 998690#        210#
+  -6   14   20   34 Ca    x   14890#        300#         7173#         9#      B-      *                   34 015985#        322#
+0 13   24   11   35 Na   -n   37831#        670#         6745#        19#      B-  22192#       723#       35 040614#        720#
+  11   23   12   35 Mg    x   15639.786     269.668      7356.2338     7.7048  B-  15863.5156   269.7679   35 016790.000     289.500
+   9   22   13   35 Al    x    -223.730       7.359      7787.1243     0.2103  B-  14167.7504    36.6047   34 999759.816       7.900
+   7   21   14   35 Si 2p-n  -14391.480      35.857      8169.5644     1.0245  B-  10466.3291    35.9049   34 984550.111      38.494
+   5   20   15   35 P    +p  -24857.809       1.866      8446.2496     0.0533  B-   3988.4006     1.8667   34 973314.045       2.003
+   3   19   16   35 S        -28846.210       0.040      8537.8511     0.0012  B-    167.3218     0.0257   34 969032.321       0.043
+   1   18   17   35 Cl       -29013.532       0.035      8520.2790     0.0010  B-  -5966.2429     0.6794   34 968852.694       0.038
+  -1   17   18   35 Ar    -  -23047.289       0.680      8327.4621     0.0194  B- -11874.3955     0.8516   34 975257.719       0.730
+  -3   16   19   35 K    4n  -11172.893       0.512      7965.8409     0.0146  B- -16363#       200#       34 988005.406       0.550
+  -5   15   20   35 Ca    x    5190#        200#         7476#         6#      B- -21910#       447#       35 005572#        215#
+  -7   14   21   35 Sc    x   27100#        400#         6828#        11#      B-      *                   35 029093#        429#
+0 14   25   11   36 Na   -n   45903#        687#         6557#        19#      B-  25523#       974#       36 049279#        737#
+  12   24   12   36 Mg    x   20380.159     690.237      7244.4202    19.1733  B-  14429.7751   706.2429   36 021879.000     741.000
+  10   23   13   36 Al    x    5950.384     149.505      7623.5154     4.1529  B-  18386.5096   165.8510   36 006388.000     160.500
+   8   22   14   36 Si    x  -12436.125      71.797      8112.5199     1.9944  B-   7814.9194    72.9852   35 986649.271      77.077
+   6   21   15   36 P     +  -20251.045      13.114      8307.8692     0.3643  B-  10413.0962    13.1124   35 978259.610      14.078
+   4   20   16   36 S        -30664.141       0.188      8575.3900     0.0052  B-  -1142.1329     0.1893   35 967080.692       0.201
+   2   19   17   36 Cl       -29522.008       0.036      8521.9322     0.0010  B-    709.5343     0.0449   35 968306.822       0.038
+   0   18   18   36 Ar       -30231.542       0.027      8519.9096     0.0008  B- -12814.3607     0.3259   35 967545.106       0.028
+  -2   17   19   36 K        -17417.182       0.325      8142.2233     0.0090  B- -10966.0155    40.0013   35 981301.887       0.349
+  -4   16   20   36 Ca   4n   -6451.166      40.000      7815.8799     1.1111  B- -22601#       303#       35 993074.388      42.941
+  -6   15   21   36 Sc    x   16150#        300#         7166#         8#      B-      *                   36 017338#        322#
+0 15   26   11   37 Na  -nn   53134#        687#         6403#        19#      B-  24923#       980#       37 057042#        737#
+  13   25   12   37 Mg   -n   28211.478     698.947      7055.1115    18.8905  B-  18401.9132   721.8139   37 030286.265     750.350
+  11   24   13   37 Al    x    9809.564     180.244      7531.3160     4.8715  B-  16381.0765   213.1678   37 010531.000     193.500
+   9   23   14   37 Si    x   -6571.512     113.809      7952.9033     3.0759  B-  12424.5003   119.9691   36 992945.191     122.179
+   7   22   15   37 P  p-2n  -18996.012      37.948      8267.5561     1.0256  B-   7900.4135    37.9474   36 979606.942      40.738
+   5   21   16   37 S    -n  -26896.426       0.198      8459.9363     0.0054  B-   4865.1258     0.1965   36 971125.500       0.212
+   3   20   17   37 Cl       -31761.552       0.052      8570.2816     0.0014  B-   -813.8729     0.2000   36 965902.573       0.055
+   1   19   18   37 Ar    -  -30947.679       0.207      8527.1406     0.0056  B-  -6147.4775     0.2270   36 966776.301       0.221
+  -1   18   19   37 K    -p  -24800.201       0.094      8339.8480     0.0025  B- -11664.1314     0.6412   36 973375.890       0.100
+  -3   17   20   37 Ca    x  -13136.070       0.634      8003.4567     0.0171  B- -16916#       300#       36 985897.849       0.680
+  -5   16   21   37 Sc    x    3780#        300#         7525#         8#      B- -21390#       500#       37 004058#        322#
+  -7   15   22   37 Ti    x   25170#        400#         6926#        11#      B-      *                   37 027021#        429#
+0 16   27   11   38 Na   -n   61905#        715#         6216#        19#      B-  27831#       875#       38 066458#        768#
+  14   26   12   38 Mg    x   34074#        503#         6928#        13#      B-  17604#       525#       38 036580#        540#
+  12   25   13   38 Al    x   16470#        150#         7370#         4#      B-  20640#       183#       38 017681#        161#
+  10   24   14   38 Si    x   -4170.299     104.793      7892.8297     2.7577  B-  10451.2656   127.4736   37 995523.000     112.500
+   8   23   15   38 P     x  -14621.565      72.581      8147.2749     1.9100  B-  12239.6512    72.9340   37 984303.105      77.918
+   6   22   16   38 S     +  -26861.216       7.172      8448.7829     0.1887  B-   2936.9000     7.1714   37 971163.300       7.699
+   4   21   17   38 Cl   -n  -29798.116       0.098      8505.4817     0.0026  B-   4916.7109     0.2182   37 968010.408       0.105
+   2   20   18   38 Ar       -34714.827       0.195      8614.2807     0.0051  B-  -5914.0671     0.0448   37 962732.102       0.209
+   0   19   19   38 K        -28800.760       0.195      8438.0593     0.0051  B-  -6742.2563     0.0626   37 969081.114       0.209
+  -2   18   20   38 Ca       -22058.503       0.194      8240.0434     0.0051  B- -17809#       200#       37 976319.223       0.208
+  -4   17   21   38 Sc    x   -4249#        200#         7751#         5#      B- -15619#       361#       37 995438#        215#
+  -6   16   22   38 Ti    x   11370#        300#         7319#         8#      B-      *                   38 012206#        322#
+0 17   28   11   39 Na   -n   69977#        743#         6056#        19#      B-  27201#       903#       39 075123#        797#
+  15   27   12   39 Mg   -n   42775#        513#         6734#        13#      B-  21286#       594#       39 045921#        551#
+  13   26   13   39 Al    x   21490#        300#         7260#         8#      B-  19169#       329#       39 023070#        322#
+  11   25   14   39 Si    x    2320.352     135.532      7730.9793     3.4752  B-  15094.9874   176.2324   39 002491.000     145.500
+   9   24   15   39 P     x  -12774.636     112.645      8097.9701     2.8883  B-  10388.0361   123.2430   38 986285.865     120.929
+   7   23   16   39 S  2p-n  -23162.672      50.000      8344.2698     1.2821  B-   6637.5463    50.0300   38 975133.850      53.677
+   5   22   17   39 Cl  -nn  -29800.218       1.732      8494.4032     0.0444  B-   3441.9774     5.2915   38 968008.151       1.859
+   3   21   18   39 Ar    +  -33242.195       5.000      8562.5988     0.1282  B-    565.0000     5.0000   38 964313.037       5.367
+   1   20   19   39 K        -33807.19535     0.00456    8557.0258     0.0003  B-  -6524.4888     0.5962   38 963706.48482     0.00489
+  -1   19   20   39 Ca       -27282.707       0.596      8369.6711     0.0153  B- -13109.9804    24.0074   38 970710.811       0.640
+  -3   18   21   39 Sc 2n-p  -14172.726      24.000      8013.4575     0.6154  B- -16673#       202#       38 984784.953      25.765
+  -5   17   22   39 Ti    x    2500#        200#         7566#         5#      B- -20070#       447#       39 002684#        215#
+  -7   16   23   39 V     x   22570#        400#         7031#        10#      B-      *                   39 024230#        429#
+0 16   28   12   40 Mg    x   49550#        500#         6598#        13#      B-  20729#       583#       40 053194#        537#
+  14   27   13   40 Al    x   28820#        300#         7097#         7#      B-  23154#       324#       40 030940#        322#
+  12   26   14   40 Si    x    5666.876     121.991      7655.8247     3.0498  B-  13806.0653   147.8912   40 006083.641     130.962
+  10   25   15   40 P     x   -8139.189      83.607      7981.4177     2.0902  B-  14698.6603    83.7017   39 991262.221      89.755
+   8   24   16   40 S        -22837.850       3.982      8329.3255     0.0996  B-   4719.9687    32.3118   39 975482.561       4.274
+   6   23   17   40 Cl    +  -27557.818      32.066      8427.7660     0.8016  B-   7482.0816    32.0655   39 970415.466      34.423
+   4   22   18   40 Ar       -35039.89997     0.00218    8595.2594     0.0002  B-  -1504.4031     0.0559   39 962383.12204     0.00234
+   2   21   19   40 K        -33535.497       0.056      8538.0907     0.0014  B-   1310.9051     0.0596   39 963998.165       0.060
+   0   20   20   40 Ca       -34846.402       0.020      8551.3046     0.0006  B- -14323.0493     2.8281   39 962590.850       0.022
+  -2   19   21   40 Sc    -  -20523.353       2.828      8173.6697     0.0707  B- -11529.9139    68.3023   39 977967.275       3.036
+  -4   18   22   40 Ti        -8993.439      68.244      7865.8632     1.7061  B- -21463#       308#       39 990345.146      73.262
+  -6   17   23   40 V     x   12470#        300#         7310#         7#      B-      *                   40 013387#        322#
+0 17   29   12   41 Mg    x   58100#        500#         6425#        12#      B-  23510#       640#       41 062373#        537#
+  15   28   13   41 Al    x   34590#        400#         6980#        10#      B-  21390#       500#       41 037134#        429#
+  13   27   14   41 Si    x   13200#        300#         7482#         7#      B-  18180#       323#       41 014171#        322#
+  11   26   15   41 P     x   -4979.767     120.163      7906.5513     2.9308  B-  14028.8125   120.2326   40 994654.000     129.000
+   9   25   16   41 S     x  -19008.580       4.099      8229.6358     0.1000  B-   8298.6116    68.8456   40 979593.451       4.400
+   7   24   17   41 Cl    x  -27307.192      68.723      8412.9593     1.6762  B-   5760.3180    68.7243   40 970684.525      73.777
+   5   23   18   41 Ar   -n  -33067.510       0.347      8534.3733     0.0085  B-   2492.0392     0.3473   40 964500.570       0.372
+   3   22   19   41 K        -35559.54880     0.00376    8576.0731     0.0003  B-   -421.6406     0.1377   40 961825.25611     0.00403
+   1   21   20   41 Ca       -35137.908       0.138      8546.7075     0.0034  B-  -6495.5482     0.1553   40 962277.905       0.147
+  -1   20   21   41 Sc       -28642.360       0.077      8369.1979     0.0019  B- -12944.8214    27.9449   40 969251.163       0.083
+  -3   19   22   41 Ti    x  -15697.539      27.945      8034.3889     0.6816  B- -16008#       202#       40 983148.000      30.000
+  -5   18   23   41 V     x     310#        200#         7625#         5#      B- -20100#       447#       41 000333#        215#
+  -7   17   24   41 Cr    x   20410#        400#         7116#        10#      B-      *                   41 021911#        429#
+0 16   29   13   42 Al    x   41990#        500#         6829#        12#      B-  25150#       583#       42 045078#        537#
+  14   28   14   42 Si    x   16840#        300#         7410#         7#      B-  15748#       315#       42 018078#        322#
+  12   27   15   42 P     x    1091.842      95.009      7765.9122     2.2621  B-  18729.5899    95.0504   42 001172.140     101.996
+  10   26   16   42 S     x  -17637.748       2.794      8193.2275     0.0665  B-   7194.0221    59.6811   41 981065.100       3.000
+   8   25   17   42 Cl    x  -24831.770      59.616      8345.8864     1.4194  B-   9590.9082    59.8947   41 973342.000      64.000
+   6   24   18   42 Ar    x  -34422.678       5.775      8555.6141     0.1375  B-    599.3527     5.7763   41 963045.737       6.200
+   4   23   19   42 K    -n  -35022.031       0.106      8551.2571     0.0025  B-   3525.2626     0.1825   41 962402.305       0.113
+   2   22   20   42 Ca       -38547.293       0.148      8616.5646     0.0035  B-  -6426.2904     0.0485   41 958617.780       0.159
+   0   21   21   42 Sc       -32121.003       0.154      8444.9303     0.0037  B-  -7016.6496     0.2239   41 965516.686       0.165
+  -2   20   22   42 Ti       -25104.353       0.269      8259.2400     0.0064  B- -17485#       196#       41 973049.369       0.289
+  -4   19   23   42 V     x   -7620#        196#         7824#         5#      B- -14679#       358#       41 991820#        210#
+  -6   18   24   42 Cr    x    7060#        300#         7456#         7#      B-      *                   42 007579#        322#
+0 17   30   13   43 Al    x   48270#        600#         6712#        14#      B-  23940#       721#       43 051820#        644#
+  15   29   14   43 Si    x   24330#        400#         7251#         9#      B-  19289#       500#       43 026119#        429#
+  13   28   15   43 P     x    5040#        300#         7681#         7#      B-  17236#       300#       43 005411#        322#
+  11   27   16   43 S     x  -12195.461       4.970      8063.8276     0.1156  B-  11964.0500    62.0579   42 986907.635       5.335
+   9   26   17   43 Cl    x  -24159.510      61.859      8323.8672     1.4386  B-   7850.3002    62.0860   42 974063.700      66.407
+   7   25   18   43 Ar    x  -32009.811       5.310      8488.2382     0.1235  B-   4565.5836     5.3254   42 965636.056       5.700
+   5   24   19   43 K   -4n  -36575.394       0.410      8576.2204     0.0095  B-   1833.4783     0.4687   42 960734.701       0.440
+   3   23   20   43 Ca       -38408.873       0.227      8600.6653     0.0053  B-  -2220.7227     1.8650   42 958766.381       0.244
+   1   22   21   43 Sc   -p  -36188.150       1.863      8530.8265     0.0433  B-  -6872.5591     6.0147   42 961150.425       1.999
+  -1   21   22   43 Ti       -29315.591       5.719      8352.8054     0.1330  B- -11399.2333    43.2287   42 968528.420       6.139
+  -3   20   23   43 V     x  -17916.358      42.849      8069.5129     0.9965  B- -15946#       205#       42 980766.000      46.000
+  -5   19   24   43 Cr    x   -1970#        200#         7680#         5#      B- -19340#       447#       42 997885#        215#
+  -7   18   25   43 Mn    x   17370#        400#         7213#         9#      B-      *                   43 018647#        429#
+0 16   30   14   44 Si    x   29310#        500#         7156#        11#      B-  18200#       640#       44 031466#        537#
+  14   29   15   44 P     x   11110#        400#         7552#         9#      B-  20314#       400#       44 011927#        429#
+  12   28   16   44 S     x   -9204.236       5.216      7996.0154     0.1186  B-  11274.7373    85.7253   43 990118.846       5.600
+  10   27   17   44 Cl    x  -20478.973      85.566      8234.4788     1.9447  B-  12194.2869    85.5811   43 978014.918      91.859
+   8   26   18   44 Ar    x  -32673.260       1.584      8493.8411     0.0360  B-   3108.2375     1.6381   43 964923.814       1.700
+   6   25   19   44 K     x  -35781.498       0.419      8546.7023     0.0095  B-   5687.2319     0.5303   43 961586.984       0.450
+   4   24   20   44 Ca       -41468.730       0.325      8658.1769     0.0074  B-  -3652.6948     1.7565   43 955481.489       0.348
+   2   23   21   44 Sc   -p  -37816.035       1.756      8557.3805     0.0399  B-   -267.4488     1.8899   43 959402.818       1.884
+   0   22   22   44 Ti   -a  -37548.586       0.700      8533.5215     0.0159  B- -13740.5071     7.2986   43 959689.936       0.751
+  -2   21   23   44 V        -23808.079       7.265      8203.4567     0.1651  B- -10386.1805    51.7447   43 974440.977       7.799
+  -4   20   24   44 Cr    x  -13421.899      51.232      7949.6265     1.1644  B- -20882#       304#       43 985591.000      55.000
+  -6   19   25   44 Mn    x    7460#        300#         7457#         7#      B-      *                   44 008009#        322#
+0 17   31   14   45 Si    x   37090#        600#         7004#        13#      B-  21130#       781#       45 039818#        644#
+  15   30   15   45 P     x   15960#        500#         7456#        11#      B-  19301#       583#       45 017134#        537#
+  13   29   16   45 S     x   -3340#        300#         7867#         7#      B-  14922#       329#       44 996414#        322#
+  11   28   17   45 Cl    x  -18262.544     136.163      8181.5991     3.0259  B-  11508.2568   136.1643   44 980394.353     146.177
+   9   27   18   45 Ar    x  -29770.801       0.512      8419.9526     0.0114  B-   6844.8422     0.7311   44 968039.731       0.550
+   7   26   19   45 K     x  -36615.643       0.522      8554.6747     0.0116  B-   4196.5868     0.6369   44 960691.491       0.560
+   5   25   20   45 Ca       -40812.230       0.365      8630.5467     0.0081  B-    260.0910     0.7377   44 956186.270       0.392
+   3   24   21   45 Sc       -41072.321       0.663      8618.9410     0.0147  B-  -2062.0551     0.5086   44 955907.051       0.712
+   1   23   22   45 Ti       -39010.266       0.836      8555.7321     0.0186  B-  -7123.8247     0.2142   44 958120.758       0.897
+  -1   22   23   45 V        -31886.441       0.863      8380.0394     0.0192  B- -12371.6400    35.4073   44 965768.498       0.926
+  -3   21   24   45 Cr    x  -19514.801      35.397      8087.7286     0.7866  B- -14535#       302#       44 979050.000      38.000
+  -5   20   25   45 Mn    x   -4980#        300#         7747#         7#      B- -19388#       412#       44 994654#        322#
+  -7   19   26   45 Fe  -pp   14408#        283#         7299#         6#      B-      *                   45 015467#        304#
+0 16   31   15   46 P     x   22840#        500#         7320#        11#      B-  22200#       640#       46 024520#        537#
+  14   30   16   46 S     x     640#        400#         7785#         9#      B-  14375#       411#       46 000687#        429#
+  12   29   17   46 Cl    x  -13734.949      97.249      8080.7757     2.1141  B-  16036.3062    97.2766   45 985254.926     104.400
+  10   28   18   46 Ar    x  -29771.255       2.329      8412.3835     0.0506  B-   5642.6746     2.4394   45 968039.244       2.500
+   8   27   19   46 K     x  -35413.929       0.727      8518.0428     0.0158  B-   7725.6802     2.3490   45 961981.584       0.780
+   6   26   20   46 Ca       -43139.610       2.234      8668.9848     0.0486  B-  -1377.9665     2.3305   45 953687.726       2.398
+   4   25   21   46 Sc   -n  -41761.643       0.671      8622.0215     0.0146  B-   2366.6260     0.6666   45 955167.034       0.720
+   2   24   22   46 Ti       -44128.269       0.090      8656.4623     0.0020  B-  -7052.3723     0.0923   45 952626.356       0.097
+   0   23   23   46 V        -37075.897       0.134      8486.1423     0.0029  B-  -7604.3264    11.4538   45 960197.389       0.143
+  -2   22   24   46 Cr       -29471.570      11.453      8303.8233     0.2490  B- -17053.8226    87.3828   45 968360.969      12.295
+  -4   21   25   46 Mn    x  -12417.748      86.629      7916.0805     1.8832  B- -13628#       312#       45 986669.000      93.000
+  -6   20   26   46 Fe    x    1210#        300#         7603#         7#      B-      *                   46 001299#        322#
+0 17   32   15   47 P     x   28810#        600#         7209#        13#      B-  21610#       721#       47 030929#        644#
+  15   31   16   47 S     x    7200#        400#         7652#         9#      B-  16781#       447#       47 007730#        429#
+  13   30   17   47 Cl    x   -9580#        200#         7992#         4#      B-  15787#       200#       46 989715#        215#
+  11   29   18   47 Ar    x  -25367.274       1.211      8311.4250     0.0258  B-  10344.7078     1.8490   46 972767.112       1.300
+   9   28   19   47 K     x  -35711.982       1.397      8514.8795     0.0297  B-   6632.6837     2.6237   46 961661.612       1.500
+   7   27   20   47 Ca       -42344.665       2.221      8639.3548     0.0473  B-   1992.1770     1.1849   46 954541.134       2.384
+   5   26   21   47 Sc       -44336.842       1.931      8665.0958     0.0411  B-    600.7694     1.9292   46 952402.444       2.072
+   3   25   22   47 Ti       -44937.612       0.080      8661.2325     0.0017  B-  -2930.5422     0.0879   46 951757.491       0.085
+   1   24   23   47 V        -42007.070       0.110      8582.2348     0.0024  B-  -7443.9769     5.1976   46 954903.558       0.118
+  -1   23   24   47 Cr       -34563.093       5.197      8407.2067     0.1106  B- -11996.7167    32.0943   46 962894.995       5.578
+  -3   22   25   47 Mn    x  -22566.376      31.671      8135.3117     0.6738  B- -15437#       501#       46 975774.000      34.000
+  -5   21   26   47 Fe    x   -7130#        500#         7790#        11#      B- -17750#       781#       46 992346#        537#
+  -7   20   27   47 Co    x   10620#        600#         7396#        13#      B-      *                   47 011401#        644#
+0 16   32   16   48 S     x   12390#        500#         7552#        10#      B-  16670#       707#       48 013301#        537#
+  14   31   17   48 Cl    x   -4280#        500#         7883#        10#      B-  18075#       500#       47 995405#        537#
+  12   30   18   48 Ar    x  -22354.927      16.767      8243.6656     0.3493  B-   9929.5550    16.7847   47 976001.000      18.000
+  10   29   19   48 K     x  -32284.482       0.773      8434.2324     0.0161  B-  11940.3857     0.7734   47 965341.184       0.830
+   8   28   20   48 Ca       -44224.868       0.018      8666.6916     0.0004  B-    279.2155     4.9499   47 952522.654       0.018
+   6   27   21   48 Sc       -44504.083       4.950      8656.2097     0.1031  B-   3988.8685     4.9499   47 952222.903       5.313
+   4   26   22   48 Ti       -48492.952       0.074      8723.0122     0.0016  B-  -4014.9467     0.9691   47 947940.677       0.079
+   2   25   23   48 V        -44478.005       0.972      8623.0686     0.0202  B-  -1656.6918     7.3746   47 952250.900       1.043
+   0   24   24   48 Cr  +nn  -42821.313       7.311      8572.2553     0.1523  B- -13524.6692     9.9157   47 954029.431       7.848
+  -2   23   25   48 Mn       -29296.644       6.699      8274.1924     0.1396  B- -11288.0685    92.4609   47 968548.760       7.191
+  -4   22   26   48 Fe    x  -18008.575      92.218      8022.7254     1.9212  B- -19738#       509#       47 980667.000      99.000
+  -6   21   27   48 Co    x    1730#        500#         7595#        10#      B- -16448#       656#       48 001857#        537#
+  -8   20   28   48 Ni  -pp   18178#        424#         7236#         9#      B-      *                   48 019515#        455#
+0 17   33   16   49 S    -n   20391#        583#         7400#        12#      B-  19652#       707#       49 021891#        626#
+  15   32   17   49 Cl    x     740#        400#         7785#         8#      B-  17800#       565#       49 000794#        429#
+  13   31   18   49 Ar    x  -17060#        400#         8132#         8#      B-  12551#       400#       48 981685#        429#
+  11   30   19   49 K     x  -29611.496       0.801      8372.2753     0.0164  B-  11688.5069     0.8205   48 968210.753       0.860
+   9   29   20   49 Ca   -n  -41300.003       0.178      8594.8500     0.0036  B-   5262.4445     2.2745   48 955662.625       0.190
+   7   28   21   49 Sc       -46562.447       2.268      8686.2805     0.0463  B-   2001.5652     2.2684   48 950013.159       2.434
+   5   27   22   49 Ti       -48564.012       0.078      8711.1625     0.0016  B-   -601.8555     0.8203   48 947864.391       0.084
+   3   26   23   49 V     -  -47962.157       0.824      8682.9135     0.0168  B-  -2629.8047     2.3487   48 948510.509       0.884
+   1   25   24   49 Cr       -45332.352       2.202      8613.2777     0.0449  B-  -7712.4265     0.2329   48 951333.720       2.363
+  -1   24   25   49 Mn       -37619.925       2.214      8439.9150     0.0452  B- -12869.1957    24.3199   48 959613.350       2.377
+  -3   23   26   49 Fe    x  -24750.730      24.219      8161.3121     0.4943  B- -14971#       501#       48 973429.000      26.000
+  -5   22   27   49 Co    x   -9780#        500#         7840#        10#      B- -18309#       781#       48 989501#        537#
+  -7   21   28   49 Ni    x    8530#        600#         7450#        12#      B-      *                   49 009157#        644#
+0 16   33   17   50 Cl    x    7700#        400#         7651#         8#      B-  20930#       640#       50 008266#        429#
+  14   32   18   50 Ar    x  -13230#        500#         8054#        10#      B-  12498#       500#       49 985797#        537#
+  12   31   19   50 K     x  -25727.853       7.731      8288.5833     0.1546  B-  13861.3774     7.8919   49 972380.015       8.300
+  10   30   20   50 Ca    x  -39589.230       1.584      8550.1639     0.0317  B-   4947.8903     2.9723   49 957499.215       1.700
+   8   29   21   50 Sc       -44537.120       2.515      8633.4747     0.0503  B-   6894.7470     2.5166   49 952187.437       2.700
+   6   28   22   50 Ti       -51431.867       0.082      8755.7227     0.0017  B-  -2208.6274     0.0579   49 944785.622       0.088
+   4   27   23   50 V        -49223.240       0.093      8695.9032     0.0019  B-   1038.1240     0.0551   49 947156.681       0.099
+   2   26   24   50 Cr       -50261.364       0.094      8701.0188     0.0019  B-  -7634.4776     0.0672   49 946042.209       0.100
+   0   25   25   50 Mn       -42626.886       0.115      8532.6823     0.0023  B-  -8150.4267     8.3842   49 954238.157       0.123
+  -2   24   26   50 Fe    x  -34476.460       8.383      8354.0268     0.1677  B- -16887.0566   126.0308   49 962988.000       9.000
+  -4   23   27   50 Co    x  -17589.403     125.752      8000.6387     2.5150  B- -14130#       516#       49 981117.000     135.000
+  -6   22   28   50 Ni    x   -3460#        500#         7702#        10#      B-      *                   49 996286#        537#
+0 17   34   17   51 Cl    x   14290#        700#         7530#        14#      B-  20780#       806#       51 015341#        751#
+  15   33   18   51 Ar    x   -6490#        400#         7922#         8#      B-  16026#       400#       50 993033#        429#
+  13   32   19   51 K     x  -22515.457      13.041      8221.3350     0.2557  B-  13816.8529    13.0517   50 975828.664      14.000
+  11   31   20   51 Ca    x  -36332.310       0.522      8476.9135     0.0102  B-   6918.0432     2.5686   50 960995.663       0.560
+   9   30   21   51 Sc       -43250.353       2.515      8597.2213     0.0493  B-   6482.6122     2.5612   50 953568.838       2.700
+   7   29   22   51 Ti       -49732.965       0.484      8708.9912     0.0095  B-   2470.1402     0.4820   50 946609.468       0.519
+   5   28   23   51 V        -52203.105       0.097      8742.0852     0.0019  B-   -752.3907     0.1494   50 943957.664       0.104
+   3   27   24   51 Cr       -51450.715       0.167      8711.9923     0.0033  B-  -3207.4893     0.3256   50 944765.388       0.178
+   1   26   25   51 Mn       -48243.225       0.304      8633.7602     0.0060  B-  -8054.0400     1.4309   50 948208.770       0.326
+  -1   25   26   51 Fe    x  -40189.185       1.398      8460.4977     0.0274  B- -12847.0389    48.4579   50 956855.137       1.501
+  -3   24   27   51 Co    x  -27342.146      48.438      8193.2549     0.9498  B- -15692#       503#       50 970647.000      52.000
+  -5   23   28   51 Ni    x  -11650#        500#         7870#        10#      B-      *                   50 987493#        537#
+0 18   35   17   52 Cl    x   22360#        700#         7386#        13#      B-  23739#       922#       52 024004#        751#
+  16   34   18   52 Ar    x   -1380#        600#         7827#        12#      B-  15758#       601#       51 998519#        644#
+  14   33   19   52 K     x  -17137.628      33.534      8115.0303     0.6449  B-  17128.6431    33.5405   51 981602.000      36.000
+  12   32   20   52 Ca    x  -34266.272       0.671      8429.3821     0.0129  B-   6257.2889     3.1463   51 963213.646       0.720
+  10   31   21   52 Sc       -40523.560       3.074      8534.6695     0.0591  B-   8954.1372     4.1223   51 956496.170       3.300
+   8   30   22   52 Ti       -49477.698       2.747      8691.8193     0.0528  B-   1965.3340     2.7510   51 946883.509       2.948
+   6   29   23   52 V    -n  -51443.032       0.159      8714.5690     0.0031  B-   3976.4763     0.1601   51 944773.636       0.170
+   4   28   24   52 Cr       -55419.508       0.112      8775.9946     0.0022  B-  -4708.1214     0.0633   51 940504.714       0.120
+   2   27   25   52 Mn    -  -50711.387       0.129      8670.4087     0.0025  B-  -2379.2912     0.1534   51 945559.090       0.138
+   0   26   26   52 Fe   --  -48332.095       0.179      8609.6079     0.0035  B- -13988.1167     5.2831   51 948113.364       0.192
+  -2   25   27   52 Co       -34343.979       5.282      8325.5606     0.1016  B- -11784.1230    83.0710   51 963130.224       5.669
+  -4   24   28   52 Ni    x  -22559.856      82.903      8083.8977     1.5943  B- -20680#       606#       51 975781.000      89.000
+  -6   23   29   52 Cu    x   -1880#        600#         7671#        12#      B-      *                   51 997982#        644#
+0 17   35   18   53 Ar    x    6791#        699#         7677#        13#      B-  19086#       708#       53 007290#        750#
+  15   34   19   53 K     x  -12295.722     111.779      8022.8488     2.1090  B-  17091.9853   120.0471   52 986800.000     120.000
+  13   33   20   53 Ca    x  -29387.707      43.780      8330.5778     0.8260  B-   9381.8471    47.2223   52 968451.000      47.000
+  11   32   21   53 Sc       -38769.555      17.698      8492.8325     0.3339  B-   8111.8785    17.9325   52 958379.173      19.000
+   9   31   22   53 Ti    x  -46881.433       2.888      8631.1256     0.0545  B-   4970.2419     4.2386   52 949670.714       3.100
+   7   30   23   53 V    +p  -51851.675       3.103      8710.1425     0.0585  B-   3435.9426     3.1017   52 944334.940       3.331
+   5   29   24   53 Cr       -55287.618       0.116      8760.2103     0.0022  B-   -597.2679     0.3430   52 940646.304       0.124
+   3   28   25   53 Mn       -54690.350       0.346      8734.1798     0.0065  B-  -3742.8664     1.6971   52 941287.497       0.371
+   1   27   26   53 Fe       -50947.483       1.669      8648.7985     0.0315  B-  -8288.1073     0.4431   52 945305.629       1.792
+  -1   26   27   53 Co       -42659.376       1.727      8477.6578     0.0326  B- -13028.5485    25.2096   52 954203.278       1.854
+  -3   25   28   53 Ni    x  -29630.827      25.150      8217.0749     0.4745  B- -16491#       501#       52 968190.000      27.000
+  -5   24   29   53 Cu    x  -13140#        500#         7891#         9#      B-      *                   52 985894#        537#
+0 18   36   18   54 Ar    x   12560#        800#         7578#        15#      B-  17710#       894#       54 013484#        859#
+  16   35   19   54 K     x   -5150#        400#         7891#         7#      B-  20010#       403#       53 994471#        429#
+  14   34   20   54 Ca    x  -25160.587      48.438      8247.4967     0.8970  B-   9277.3463    50.4129   53 972989.000      52.000
+  12   33   21   54 Sc    x  -34437.934      13.973      8404.8115     0.2588  B-  11305.8789    21.1188   53 963029.359      15.000
+  10   32   22   54 Ti    x  -45743.812      15.835      8599.6917     0.2932  B-   4154.4548    19.3840   53 950892.000      17.000
+   8   31   23   54 V        -49898.267      11.180      8662.1382     0.2070  B-   7037.1118    11.1794   53 946432.009      12.001
+   6   30   24   54 Cr       -56935.379       0.132      8777.9672     0.0025  B-  -1377.1325     1.0051   53 938877.359       0.142
+   4   29   25   54 Mn   -p  -55558.247       1.007      8737.9768     0.0186  B-    696.3688     1.0587   53 940355.772       1.080
+   2   28   26   54 Fe       -56254.615       0.343      8736.3846     0.0064  B-  -8244.5478     0.0893   53 939608.189       0.368
+   0   27   27   54 Co       -48010.068       0.355      8569.2199     0.0066  B-  -8731.7558     4.6710   53 948459.075       0.380
+  -2   26   28   54 Ni    x  -39278.312       4.657      8393.0328     0.0862  B- -18038#       400#       53 957833.000       5.000
+  -4   25   29   54 Cu    x  -21240#        400#         8045#         7#      B- -15538#       454#       53 977198#        429#
+  -6   24   30   54 Zn  -pp   -5702#        217#         7742#         4#      B-      *                   53 993879#        232#
+0 17   36   19   55 K     x     470#        500#         7792#         9#      B-  19121#       525#       55 000505#        537#
+  15   35   20   55 Ca    x  -18650.375     160.217      8125.9260     2.9130  B-  12191.7329   171.9435   54 979978.000     172.000
+  13   34   21   55 Sc    x  -30842.108      62.411      8333.3694     1.1347  B-  10990.3608    68.7671   54 966889.637      67.000
+  11   33   22   55 Ti    x  -41832.469      28.876      8518.9696     0.5250  B-   7292.6673    39.5419   54 955091.000      31.000
+   9   32   23   55 V     x  -49125.136      27.013      8637.3391     0.4912  B-   5985.1877    27.0143   54 947262.000      29.000
+   7   31   24   55 Cr   -n  -55110.324       0.228      8731.9362     0.0042  B-   2602.2183     0.3219   54 940836.637       0.245
+   5   30   25   55 Mn       -57712.542       0.260      8765.0247     0.0047  B-   -231.1204     0.1786   54 938043.040       0.279
+   3   29   26   55 Fe       -57481.422       0.308      8746.5981     0.0056  B-  -3451.4254     0.3241   54 938291.158       0.330
+   1   28   27   55 Co       -54029.996       0.405      8669.6204     0.0074  B-  -8694.0350     0.5775   54 941996.416       0.434
+  -1   27   28   55 Ni    -  -45335.961       0.705      8497.3225     0.0128  B- -13700.5585   155.5611   54 951329.846       0.757
+  -3   26   29   55 Cu    x  -31635.403     155.560      8233.9970     2.8284  B- -17366#       429#       54 966038.000     167.000
+  -5   25   30   55 Zn    x  -14270#        400#         7904#         7#      B-      *                   54 984681#        429#
+0 18   37   19   56 K     x    7980#        600#         7663#        11#      B-  21491#       650#       56 008567#        644#
+  16   36   20   56 Ca    x  -13510.390     249.640      8033.1654     4.4579  B-  12005.4580   360.2029   55 985496.000     268.000
+  14   35   21   56 Sc    x  -25515.848     259.665      8233.5781     4.6369  B-  13907.1470   278.3271   55 972607.611     278.761
+  12   34   22   56 Ti       -39422.995     100.201      8467.9495     1.7893  B-   6760.4051   188.1842   55 957677.675     107.569
+  10   33   23   56 V        -46183.401     175.884      8574.7006     3.1408  B-   9101.7270   175.8854   55 950420.082     188.819
+   8   32   24   56 Cr   ++  -55285.128       0.578      8723.2609     0.0103  B-   1626.5384     0.5524   55 940648.977       0.620
+   6   31   25   56 Mn   -n  -56911.666       0.293      8738.3358     0.0052  B-   3695.4973     0.2065   55 938902.816       0.314
+   4   30   26   56 Fe       -60607.163       0.268      8790.3563     0.0048  B-  -4566.6455     0.4104   55 934935.537       0.287
+   2   29   27   56 Co       -56040.518       0.475      8694.8386     0.0085  B-  -2132.8689     0.3735   55 939838.032       0.510
+   0   28   28   56 Ni       -53907.649       0.399      8642.7811     0.0071  B- -15277.9163     6.4070   55 942127.761       0.428
+  -2   27   29   56 Cu    x  -38629.733       6.395      8355.9907     0.1142  B- -13240#       400#       55 958529.278       6.864
+  -4   26   30   56 Zn    x  -25390#        400#         8106#         7#      B- -21550#       640#       55 972743#        429#
+  -6   25   31   56 Ga    x   -3840#        500#         7707#         9#      B-      *                   55 995878#        537#
+0 19   38   19   57 K     x   14130#        600#         7563#        11#      B-  20689#       721#       57 015169#        644#
+  17   37   20   57 Ca    x   -6560#        400#         7912#         7#      B-  14820#       438#       56 992958#        429#
+  15   36   21   57 Sc    x  -21379.653     179.778      8158.1666     3.1540  B-  13022.1957   273.3249   56 977048.000     193.000
+  13   35   22   57 Ti    x  -34401.848     205.879      8372.9008     3.6119  B-  10033.2148   222.6466   56 963068.098     221.020
+  11   34   23   57 V     x  -44435.063      84.766      8535.1967     1.4871  B-   8089.9214    84.7864   56 952297.000      91.000
+   9   33   24   57 Cr    x  -52524.985       1.863      8663.3998     0.0327  B-   4961.2946     2.3948   56 943612.112       2.000
+   7   32   25   57 Mn       -57486.279       1.505      8736.7146     0.0264  B-   2695.7375     1.5219   56 938285.944       1.615
+   5   31   26   57 Fe       -60182.017       0.268      8770.2829     0.0047  B-   -836.3589     0.4493   56 935391.950       0.287
+   3   30   27   57 Co       -59345.658       0.516      8741.8845     0.0090  B-  -3261.6970     0.6417   56 936289.819       0.553
+   1   29   28   57 Ni       -56083.961       0.566      8670.9364     0.0099  B-  -8774.9466     0.4393   56 939791.394       0.608
+  -1   28   29   57 Cu       -47309.014       0.501      8503.2646     0.0088  B- -14759#       200#       56 949211.686       0.537
+  -3   27   30   57 Zn    x  -32550#        200#         8231#         4#      B- -17140#       447#       56 965056#        215#
+  -5   26   31   57 Ga    x  -15410#        400#         7916#         7#      B-      *                   56 983457#        429#
+0 20   39   19   58 K     x   21930#        700#         7437#        12#      B-  23461#       860#       58 023543#        751#
+  18   38   20   58 Ca    x   -1530#        500#         7828#         9#      B-  13949#       535#       57 998357#        537#
+  16   37   21   58 Sc    x  -15479.569     190.025      8054.9436     3.2763  B-  15438.0995   264.0509   57 983382.000     204.000
+  14   36   22   58 Ti    x  -30917.668     183.340      8307.6290     3.1610  B-   9512.9152   206.8675   57 966808.519     196.823
+  12   35   23   58 V     x  -40430.584      95.816      8458.1560     1.6520  B-  11561.2240    95.8625   57 956595.985     102.862
+  10   34   24   58 Cr    x  -51991.808       2.981      8643.9987     0.0514  B-   3835.7607     4.0227   57 944184.501       3.200
+   8   33   25   58 Mn    x  -55827.568       2.701      8696.6438     0.0466  B-   6327.7027     2.7198   57 940066.643       2.900
+   6   32   26   58 Fe       -62155.271       0.316      8792.2534     0.0055  B-  -2307.9785     1.1389   57 933273.575       0.339
+   4   31   27   58 Co       -59847.292       1.153      8738.9719     0.0199  B-    381.5789     1.1071   57 935751.292       1.237
+   2   30   28   58 Ni       -60228.871       0.349      8732.0621     0.0060  B-  -8561.0204     0.4425   57 935341.650       0.374
+   0   29   29   58 Cu       -51667.851       0.564      8570.9696     0.0097  B-  -9368.9796    50.0020   57 944532.283       0.604
+  -2   28   30   58 Zn   --  -42298.871      50.001      8395.9467     0.8621  B- -18759#       304#       57 954590.296      53.678
+  -4   27   31   58 Ga    x  -23540#        300#         8059#         5#      B- -15960#       583#       57 974729#        322#
+  -6   26   32   58 Ge    x   -7580#        500#         7770#         9#      B-      *                   57 991863#        537#
+0 21   40   19   59 K     x   28750#        800#         7332#        14#      B-  22940#      1000#       59 030864#        859#
+  19   39   20   59 Ca    x    5810#        600#         7708#        10#      B-  16639#       650#       59 006237#        644#
+  17   38   21   59 Sc    x  -10829.550     249.640      7976.4073     4.2312  B-  15050#       390#       58 988374.000     268.000
+  15   37   22   59 Ti    x  -25880#        300#         8218#         5#      B-  11731#       330#       58 972217#        322#
+  13   36   23   59 V     x  -37610.617     137.400      8403.8034     2.3288  B-  10505.3137   137.4021   58 959623.343     147.505
+  11   35   24   59 Cr    x  -48115.931       0.671      8568.5995     0.0114  B-   7409.3977     2.4234   58 948345.426       0.720
+   9   34   25   59 Mn    x  -55525.328       2.329      8680.9224     0.0395  B-   5139.6290     2.3520   58 940391.111       2.500
+   7   33   26   59 Fe       -60664.957       0.330      8754.7746     0.0056  B-   1564.8804     0.3690   58 934873.492       0.354
+   5   32   27   59 Co       -62229.838       0.397      8768.0379     0.0067  B-  -1073.0050     0.1944   58 933193.524       0.426
+   3   31   28   59 Ni       -61156.833       0.351      8736.5912     0.0060  B-  -4798.3786     0.3973   58 934345.442       0.376
+   1   30   29   59 Cu       -56358.454       0.528      8642.0027     0.0090  B-  -9142.7760     0.6018   58 939496.713       0.566
+  -1   29   30   59 Zn       -47215.678       0.759      8473.7802     0.0129  B- -13456#       170#       58 949311.886       0.814
+  -3   28   31   59 Ga    x  -33760#        170#         8232#         3#      B- -17390#       434#       58 963757#        183#
+  -5   27   32   59 Ge    x  -16370#        400#         7924#         7#      B-      *                   58 982426#        429#
+0 20   40   20   60 Ca    x   11000#        700#         7627#        12#      B-  15550#       860#       60 011809#        751#
+  18   39   21   60 Sc    x   -4550#        500#         7873#         8#      B-  17549#       555#       59 995115#        537#
+  16   38   22   60 Ti    x  -22099.698     240.325      8152.7858     4.0054  B-  10987.7040   301.4311   59 976275.000     258.000
+  14   37   23   60 V     x  -33087.402     181.946      8322.8751     3.0324  B-  13821.0986   181.9496   59 964479.215     195.327
+  12   36   24   60 Cr    x  -46908.500       1.118      8540.1876     0.0186  B-   6059.4457     2.5831   59 949641.656       1.200
+  10   35   25   60 Mn    x  -52967.946       2.329      8628.1392     0.0388  B-   8445.2283     4.1261   59 943136.574       2.500
+   8   34   26   60 Fe  -nn  -61413.174       3.406      8755.8539     0.0568  B-    237.2633     3.4106   59 934070.249       3.656
+   6   33   27   60 Co   -n  -61650.437       0.403      8746.7692     0.0067  B-   2822.8058     0.2124   59 933815.536       0.433
+   4   32   28   60 Ni       -64473.243       0.353      8780.7769     0.0059  B-  -6127.9810     1.5735   59 930785.129       0.378
+   2   31   29   60 Cu    -  -58345.262       1.613      8665.6047     0.0269  B-  -4170.7922     1.6286   59 937363.787       1.731
+   0   30   30   60 Zn       -54174.470       0.548      8583.0524     0.0091  B- -14584#       200#       59 941841.317       0.588
+  -2   29   31   60 Ga    x  -39590#        200#         8327#         3#      B- -12060#       361#       59 957498#        215#
+  -4   28   32   60 Ge    x  -27530#        300#         8113#         5#      B- -21890#       500#       59 970445#        322#
+  -6   27   33   60 As    x   -5640#        400#         7735#         7#      B-      *                   59 993945#        429#
+0 21   41   20   61 Ca    x   19010#        800#         7503#        13#      B-  18510#      1000#       61 020408#        859#
+  19   40   21   61 Sc    x     500#        600#         7794#        10#      B-  16870#       671#       61 000537#        644#
+  17   39   22   61 Ti    x  -16370#        300#         8058#         5#      B-  13807#       381#       60 982426#        322#
+  15   38   23   61 V     x  -30177.121     234.920      8271.0417     3.8511  B-  12319.3807   234.9272   60 967603.529     252.196
+  13   37   24   61 Cr    x  -42496.502       1.863      8460.1734     0.0305  B-   9245.6277     2.9822   60 954378.130       2.000
+  11   36   25   61 Mn    x  -51742.130       2.329      8598.9157     0.0382  B-   7178.3730     3.4965   60 944452.541       2.500
+   9   35   26   61 Fe    x  -58920.503       2.608      8703.7686     0.0428  B-   3977.6759     2.7399   60 936746.241       2.800
+   7   34   27   61 Co  p2n  -62898.179       0.839      8756.1510     0.0138  B-   1323.8504     0.7899   60 932476.031       0.901
+   5   33   28   61 Ni       -64222.029       0.355      8765.0281     0.0058  B-  -2237.9663     0.9617   60 931054.819       0.381
+   3   32   29   61 Cu  p2n  -61984.063       0.951      8715.5148     0.0156  B-  -5635.1565    15.9028   60 933457.375       1.020
+   1   31   30   61 Zn       -56348.906      15.899      8610.3098     0.2606  B-  -9214.2438    37.6786   60 939506.964      17.068
+  -1   30   31   61 Ga       -47134.662      37.994      8446.4313     0.6228  B- -13345#       302#       60 949398.861      40.787
+  -3   29   32   61 Ge    x  -33790#        300#         8215#         5#      B- -16590#       424#       60 963725#        322#
+  -5   28   33   61 As    x  -17200#        300#         7930#         5#      B-      *                   60 981535#        322#
+0 20   41   21   62 Sc    x    7310#        600#         7688#        10#      B-  19510#       721#       62 007848#        644#
+  18   40   22   62 Ti    x  -12200#        400#         7990#         6#      B-  13013#       479#       61 986903#        429#
+  16   39   23   62 V     x  -25213.164     264.287      8187.7565     4.2627  B-  15639.4478   264.3094   61 972932.556     283.723
+  14   38   24   62 Cr    x  -40852.611       3.447      8427.3871     0.0556  B-   7671.3532     7.3947   61 956142.920       3.700
+  12   37   25   62 Mn   IT  -48523.965       6.542      8538.5002     0.1055  B-  10354.0920     7.1142   61 947907.384       7.023
+  10   36   26   62 Fe    x  -58878.057       2.794      8692.8831     0.0451  B-   2546.3427    18.7834   61 936791.809       3.000
+   8   35   27   62 Co    +  -61424.399      18.574      8721.3347     0.2996  B-   5322.0404    18.5695   61 934058.198      19.940
+   6   34   28   62 Ni       -66746.440       0.425      8794.5555     0.0069  B-  -3958.8965     0.4751   61 928344.753       0.455
+   4   33   29   62 Cu    -  -62787.543       0.637      8718.0839     0.0103  B-  -1619.4548     0.6507   61 932594.803       0.683
+   2   32   30   62 Zn       -61168.088       0.615      8679.3451     0.0099  B-  -9181.0666     0.3763   61 934333.359       0.660
+   0   31   31   62 Ga       -51987.022       0.637      8518.6449     0.0103  B-  -9847#       140#       61 944189.639       0.684
+  -2   30   32   62 Ge    x  -42140#        140#         8347#         2#      B- -17720#       331#       61 954761#        150#
+  -4   29   33   62 As    x  -24420#        300#         8049#         5#      B-      *                   61 973784#        322#
+0 21   42   21   63 Sc    x   13070#        700#         7603#        11#      B-  18930#       860#       63 014031#        751#
+  19   41   22   63 Ti    x   -5860#        500#         7891#         8#      B-  15880#       605#       62 993709#        537#
+  17   40   23   63 V     x  -21740.141     339.995      8130.7809     5.3968  B-  14438.1586   347.6720   62 976661.000     365.000
+  15   39   24   63 Cr    x  -36178.299      72.657      8347.5398     1.1533  B-  10708.7611    72.7520   62 961161.000      78.000
+  13   38   25   63 Mn    x  -46887.061       3.726      8505.1020     0.0591  B-   8748.5685     5.6915   62 949664.672       4.000
+  11   37   26   63 Fe       -55635.629       4.302      8631.5499     0.0683  B-   6215.9238    19.0668   62 940272.698       4.618
+   9   36   27   63 Co       -61851.553      18.575      8717.7972     0.2948  B-   3661.3385    18.5704   62 933599.630      19.941
+   7   35   28   63 Ni       -65512.891       0.426      8763.4955     0.0068  B-     66.9768     0.0149   62 929669.021       0.457
+   5   34   29   63 Cu       -65579.868       0.426      8752.1404     0.0068  B-  -3366.4392     1.5450   62 929597.119       0.457
+   3   33   30   63 Zn       -62213.429       1.560      8686.2866     0.0248  B-  -5666.3294     2.0330   62 933211.140       1.674
+   1   32   31   63 Ga    x  -56547.100       1.304      8583.9267     0.0207  B-  -9625.8787    37.2826   62 939294.194       1.400
+  -1   31   32   63 Ge    x  -46921.221      37.260      8418.7167     0.5914  B- -13421#       204#       62 949628.000      40.000
+  -3   30   33   63 As    x  -33500#        200#         8193#         3#      B- -16650#       539#       62 964036#        215#
+  -5   29   34   63 Se    x  -16850#        500#         7917#         8#      B-      *                   62 981911#        537#
+0 20   42   22   64 Ti    x   -1480#        600#         7826#         9#      B-  14840#       721#       63 998411#        644#
+  18   41   23   64 V     x  -16320#        400#         8045#         6#      B-  17320#       500#       63 982480#        429#
+  16   40   24   64 Cr    x  -33639.978     299.941      8303.5626     4.6866  B-   9349.0622   299.9620   63 963886.000     322.000
+  14   39   25   64 Mn    x  -42989.040       3.540      8437.4175     0.0553  B-  11980.5117     6.1402   63 953849.369       3.800
+  12   38   26   64 Fe    x  -54969.552       5.017      8612.3888     0.0784  B-   4822.8898    20.6249   63 940987.761       5.386
+  10   37   27   64 Co    +  -59792.442      20.005      8675.5223     0.3126  B-   7306.5921    20.0000   63 935810.176      21.476
+   8   36   28   64 Ni       -67099.034       0.463      8777.4637     0.0072  B-  -1674.6156     0.2055   63 927966.228       0.497
+   6   35   29   64 Cu       -65424.418       0.427      8739.0736     0.0067  B-    579.5996     0.6447   63 929764.001       0.458
+   4   34   30   64 Zn       -66004.018       0.644      8735.9057     0.0101  B-  -7171.1912     1.4825   63 929141.776       0.690
+   2   33   31   64 Ga       -58832.827       1.429      8611.6317     0.0223  B-  -4517.3237     3.9905   63 936840.366       1.533
+   0   32   32   64 Ge    x  -54315.503       3.726      8528.8243     0.0582  B- -14783#       203#       63 941689.912       4.000
+  -2   31   33   64 As   -p  -39532#        203#         8286#         3#      B- -12673#       540#       63 957560#        218#
+  -4   30   34   64 Se    x  -26860#        500#         8075#         8#      B-      *                   63 971165#        537#
+0 21   43   22   65 Ti    x    5210#        700#         7726#        11#      B-  17320#       860#       65 005593#        751#
+  19   42   23   65 V     x  -12110#        500#         7981#         8#      B-  16200#       539#       64 986999#        537#
+  17   41   24   65 Cr    x  -28310#        200#         8218#         3#      B-  12657#       200#       64 969608#        215#
+  15   40   25   65 Mn    x  -40967.344       3.726      8400.6822     0.0573  B-  10250.5576     6.3257   64 956019.749       4.000
+  13   39   26   65 Fe    x  -51217.902       5.112      8546.3470     0.0786  B-   7967.3036     5.5198   64 945015.323       5.487
+  11   38   27   65 Co    x  -59185.205       2.083      8656.8848     0.0320  B-   5940.5911     2.1379   64 936462.071       2.235
+   9   37   28   65 Ni   -n  -65125.796       0.483      8736.2424     0.0074  B-   2137.8808     0.6997   64 930084.585       0.518
+   7   36   29   65 Cu       -67263.677       0.643      8757.0967     0.0099  B-  -1351.6527     0.3557   64 927789.476       0.690
+   5   35   30   65 Zn       -65912.024       0.646      8724.2660     0.0099  B-  -3254.5380     0.6305   64 929240.534       0.693
+   3   34   31   65 Ga       -62657.486       0.791      8662.1601     0.0122  B-  -6179.2631     2.3046   64 932734.424       0.849
+   1   33   32   65 Ge       -56478.223       2.165      8555.0584     0.0333  B-  -9541.1670    84.7936   64 939368.136       2.323
+  -1   32   33   65 As    x  -46937.056      84.766      8396.2351     1.3041  B- -13917#       312#       64 949611.000      91.000
+  -3   31   34   65 Se    x  -33020#        300#         8170#         5#      B- -16529#       583#       64 964552#        322#
+  -5   30   35   65 Br    x  -16490#        500#         7904#         8#      B-      *                   64 982297#        537#
+0 20   43   23   66 V     x   -6300#        500#         7894#         8#      B-  18840#       583#       65 993237#        537#
+  18   42   24   66 Cr    x  -25140#        300#         8168#         5#      B-  11610#       300#       65 973011#        322#
+  16   41   25   66 Mn    x  -36750.392      11.178      8331.7986     0.1694  B-  13317.4543    11.9056   65 960546.833      12.000
+  14   40   26   66 Fe    x  -50067.847       4.099      8521.7245     0.0621  B-   6340.6944    14.5611   65 946249.958       4.400
+  12   39   27   66 Co    x  -56408.541      13.972      8605.9419     0.2117  B-   9597.7522    14.0421   65 939442.943      15.000
+  10   38   28   66 Ni    x  -66006.293       1.397      8739.5086     0.0212  B-    251.9958     1.5405   65 929139.333       1.500
+   8   37   29   66 Cu       -66258.289       0.649      8731.4730     0.0098  B-   2640.9396     0.9255   65 928868.804       0.696
+   6   36   30   66 Zn       -68899.229       0.744      8759.6335     0.0113  B-  -5175.5000     0.8000   65 926033.639       0.798
+   4   35   31   66 Ga    -  -63723.729       1.092      8669.3631     0.0166  B-  -2116.6879     2.6376   65 931589.766       1.172
+   2   34   32   66 Ge    x  -61607.041       2.401      8625.4383     0.0364  B-  -9581.9570     6.1685   65 933862.124       2.577
+   0   33   33   66 As    x  -52025.084       5.682      8468.4034     0.0861  B- -10365#       200#       65 944148.778       6.100
+  -2   32   34   66 Se    x  -41660#        200#         8300#         3#      B- -18091#       447#       65 955276#        215#
+  -4   31   35   66 Br    x  -23570#        400#         8014#         6#      B-      *                   65 974697#        429#
+0 21   44   23   67 V     x   -1744#        600#         7829#         9#      B-  17526#       721#       66 998128#        644#
+  19   43   24   67 Cr    x  -19270#        400#         8079#         6#      B-  14311#       447#       66 979313#        429#
+  17   42   25   67 Mn    x  -33580#        200#         8281#         3#      B-  12128#       200#       66 963950#        215#
+  15   41   26   67 Fe    x  -45708.416       3.819      8449.9359     0.0570  B-   9613.3678     7.4900   66 950930.000       4.100
+  13   40   27   67 Co    x  -55321.783       6.443      8581.7422     0.0962  B-   8420.9047     7.0607   66 940609.625       6.917
+  11   39   28   67 Ni    x  -63742.688       2.888      8695.7505     0.0431  B-   3576.8654     3.0223   66 931569.413       3.100
+   9   38   29   67 Cu       -67319.553       0.892      8737.4597     0.0133  B-    560.8226     0.8296   66 927729.490       0.957
+   7   37   30   67 Zn       -67880.376       0.755      8734.1534     0.0113  B-  -1001.2201     1.1196   66 927127.422       0.810
+   5   36   31   67 Ga       -66879.156       1.176      8707.5330     0.0176  B-  -4205.4380     4.4066   66 928202.276       1.262
+   3   35   32   67 Ge       -62673.718       4.319      8633.0884     0.0645  B-  -6086.4858     4.3418   66 932716.999       4.636
+   1   34   33   67 As       -56587.232       0.443      8530.5685     0.0066  B- -10006.9381    67.0690   66 939251.110       0.475
+  -1   33   34   67 Se    x  -46580.294      67.068      8369.5344     1.0010  B- -14051#       307#       66 949994.000      72.000
+  -3   32   35   67 Br    x  -32530#        300#         8148#         4#      B- -16978#       520#       66 965078#        322#
+  -5   31   36   67 Kr  -pp  -15552#        424#         7883#         6#      B-      *                   66 983305#        455#
+0 20   44   24   68 Cr    x  -15690#        500#         8026#         7#      B-  13230#       583#       67 983156#        537#
+  18   43   25   68 Mn    x  -28920#        300#         8209#         4#      B-  14977#       356#       67 968953#        322#
+  16   42   26   68 Fe    x  -43897#        193#         8418#         3#      B-   7746#       193#       67 952875#        207#
+  14   41   27   68 Co       -51642.591       3.859      8520.1301     0.0567  B-  11821.2318     4.8760   67 944559.401       4.142
+  12   40   28   68 Ni    x  -63463.822       2.981      8682.4667     0.0438  B-   2103.2205     3.3753   67 931868.787       3.200
+  10   39   29   68 Cu    x  -65567.043       1.584      8701.8913     0.0233  B-   4440.1115     1.7645   67 929610.887       1.700
+   8   38   30   68 Zn       -70007.154       0.778      8755.6820     0.0115  B-  -2921.1000     1.2000   67 924844.232       0.835
+   6   37   31   68 Ga    -  -67086.054       1.430      8701.2195     0.0210  B-   -107.2555     2.3594   67 927980.161       1.535
+   4   36   32   68 Ge    x  -66978.799       1.876      8688.1371     0.0276  B-  -8084.2715     2.6320   67 928095.305       2.014
+   2   35   33   68 As       -58894.527       1.846      8557.7457     0.0271  B-  -4705.0786     1.9112   67 936774.127       1.981
+   0   34   34   68 Se    x  -54189.449       0.496      8477.0482     0.0073  B- -15398#       259#       67 941825.236       0.532
+  -2   33   35   68 Br   -p  -38791#        259#         8239#         4#      B- -13165#       563#       67 958356#        278#
+  -4   32   36   68 Kr    x  -25626#        500#         8034#         7#      B-      *                   67 972489#        537#
+0 21   45   24   69 Cr    x   -9630#        500#         7939#         7#      B-  15730#       640#       68 989662#        537#
+  19   44   25   69 Mn    x  -25360#        400#         8155#         6#      B-  13839#       447#       68 972775#        429#
+  17   43   26   69 Fe    x  -39199#        200#         8345#         3#      B-  11186#       218#       68 957918#        215#
+  15   42   27   69 Co    x  -50385.447      85.697      8495.4062     1.2420  B-   9593.2084    85.7784   68 945909.000      92.000
+  13   41   28   69 Ni    x  -59978.656       3.726      8623.0998     0.0540  B-   5757.5650     3.9793   68 935610.267       4.000
+  11   40   29   69 Cu    x  -65736.221       1.397      8695.2044     0.0203  B-   2681.6854     1.6075   68 929429.267       1.500
+   9   39   30   69 Zn   -n  -68417.906       0.795      8722.7311     0.0115  B-    909.9134     1.4234   68 926550.360       0.853
+   7   38   31   69 Ga       -69327.820       1.197      8724.5798     0.0174  B-  -2227.1455     0.5500   68 925573.528       1.285
+   5   37   32   69 Ge       -67100.674       1.318      8680.9640     0.0191  B-  -3988.4927    31.9822   68 927964.467       1.414
+   3   36   33   69 As       -63112.181      31.999      8611.8214     0.4638  B-  -6677.4672    32.0215   68 932246.289      34.352
+   1   35   34   69 Se       -56434.714       1.490      8503.7082     0.0216  B- -10175.2364    42.0293   68 939414.845       1.599
+  -1   34   35   69 Br   -p  -46259.478      42.003      8344.9026     0.6087  B- -14119#       303#       68 950338.410      45.091
+  -3   33   36   69 Kr    x  -32140#        300#         8129#         4#      B-      *                   68 965496#        322#
+0 22   46   24   70 Cr    x   -5640#        600#         7884#         9#      B-  14810#       781#       69 993945#        644#
+  20   45   25   70 Mn    x  -20450#        500#         8084#         7#      B-  16440#       583#       69 978046#        537#
+  18   44   26   70 Fe    x  -36890#        300#         8308#         4#      B-   9635#       300#       69 960397#        322#
+  16   43   27   70 Co    x  -46524.963      10.992      8434.1980     0.1570  B-  12688.9049    11.1987   69 950053.400      11.800
+  14   42   28   70 Ni    x  -59213.868       2.144      8604.2917     0.0306  B-   3762.5123     2.4011   69 936431.300       2.301
+  12   41   29   70 Cu    x  -62976.381       1.082      8646.8655     0.0155  B-   6588.3675     2.2018   69 932392.078       1.161
+  10   40   30   70 Zn       -69564.748       1.918      8729.8086     0.0274  B-   -654.5979     1.5737   69 925319.175       2.058
+   8   39   31   70 Ga       -68910.150       1.201      8709.2808     0.0172  B-   1651.8861     1.4520   69 926021.914       1.289
+   6   38   32   70 Ge       -70562.036       0.820      8721.7028     0.0117  B-  -6228.0630     1.6200   69 924248.542       0.880
+   4   37   33   70 As    x  -64333.973       1.397      8621.5541     0.0200  B-  -2404.0737     2.1118   69 930934.642       1.500
+   2   36   34   70 Se    x  -61929.900       1.584      8576.0338     0.0226  B- -10504.2727    14.9878   69 933515.521       1.700
+   0   35   35   70 Br    x  -51425.627      14.904      8414.7964     0.2129  B- -10325#       201#       69 944792.321      16.000
+  -2   34   36   70 Kr    x  -41100#        200#         8256#         3#      B-      *                   69 955877#        215#
+0 21   46   25   71 Mn    x  -16620#        500#         8030#         7#      B-  15310#       640#       70 982158#        537#
+  19   45   26   71 Fe    x  -31930#        400#         8235#         6#      B-  12440#       613#       70 965722#        429#
+  17   44   27   71 Co    x  -44369.930     465.030      8398.7344     6.5497  B-  11036.3053   465.0353   70 952366.923     499.230
+  15   43   28   71 Ni    x  -55406.236       2.237      8543.1564     0.0315  B-   7304.8989     2.6879   70 940518.962       2.401
+  13   42   29   71 Cu    x  -62711.134       1.490      8635.0233     0.0210  B-   4617.6517     3.0437   70 932676.831       1.600
+  11   41   30   71 Zn       -67328.786       2.654      8689.0417     0.0374  B-   2810.3405     2.7748   70 927719.578       2.849
+   9   40   31   71 Ga       -70139.127       0.811      8717.6050     0.0114  B-   -232.4698     0.0934   70 924702.554       0.870
+   7   39   32   71 Ge       -69906.657       0.815      8703.3118     0.0115  B-  -2013.4000     4.0825   70 924952.120       0.874
+   5   38   33   71 As    -  -67893.257       4.163      8663.9350     0.0586  B-  -4746.7420     5.0140   70 927113.594       4.469
+   3   37   34   71 Se    x  -63146.515       2.794      8586.0606     0.0394  B-  -6644.0883     6.0820   70 932209.431       3.000
+   1   36   35   71 Br       -56502.426       5.402      8481.4629     0.0761  B- -10175.2155   128.8452   70 939342.153       5.799
+  -1   35   36   71 Kr       -46327.211     128.769      8327.1310     1.8136  B- -14037#       420#       70 950265.695     138.238
+  -3   34   37   71 Rb    x  -32290#        400#         8118#         6#      B-      *                   70 965335#        429#
+0 22   47   25   72 Mn    x  -11170#        600#         7955#         8#      B-  18080#       781#       71 988009#        644#
+  20   46   26   72 Fe    x  -29250#        500#         8195#         7#      B-  11050#       583#       71 968599#        537#
+  18   45   27   72 Co    x  -40300#        300#         8338#         4#      B-  13926#       300#       71 956736#        322#
+  16   44   28   72 Ni    x  -54226.068       2.237      8520.2118     0.0311  B-   5556.9381     2.6374   71 941785.924       2.401
+  14   43   29   72 Cu    x  -59783.006       1.397      8586.5256     0.0194  B-   8362.4883     2.5578   71 935820.306       1.500
+  12   42   30   72 Zn    x  -68145.495       2.142      8691.8053     0.0298  B-    442.7892     2.2934   71 926842.806       2.300
+  10   41   31   72 Ga       -68588.284       0.818      8687.0893     0.0114  B-   3997.6263     0.8217   71 926367.452       0.878
+   8   40   32   72 Ge       -72585.910       0.076      8731.7459     0.0011  B-  -4356.1019     4.0825   71 922075.824       0.081
+   6   39   33   72 As    -  -68229.808       4.083      8660.3786     0.0567  B-   -361.6194     4.5276   71 926752.291       4.383
+   4   38   34   72 Se    x  -67868.189       1.956      8644.4902     0.0272  B-  -8806.4384     2.2083   71 927140.506       2.100
+   2   37   35   72 Br    x  -59061.750       1.025      8511.3126     0.0142  B-  -5121.1683     8.0761   71 936594.606       1.100
+   0   36   36   72 Kr    x  -53940.582       8.011      8429.3193     0.1113  B- -15611#       500#       71 942092.406       8.600
+  -2   35   37   72 Rb    x  -38330#        500#         8202#         7#      B-      *                   71 958851#        537#
+0 23   48   25   73 Mn    x   -6700#        600#         7895#         8#      B-  17289#       781#       72 992807#        644#
+  21   47   26   73 Fe    x  -23990#        500#         8121#         7#      B-  13980#       583#       72 974246#        537#
+  19   46   27   73 Co    x  -37970#        300#         8302#         4#      B-  12139#       300#       72 959238#        322#
+  17   45   28   73 Ni    x  -50108.159       2.423      8457.6529     0.0332  B-   8879.2856     3.1038   72 946206.681       2.601
+  15   44   29   73 Cu       -58987.445       1.942      8568.5699     0.0266  B-   6605.9659     2.6910   72 936674.376       2.084
+  13   43   30   73 Zn    x  -65593.411       1.863      8648.3455     0.0255  B-   4105.9329     2.5064   72 929582.580       2.000
+  11   42   31   73 Ga    x  -69699.343       1.677      8693.8740     0.0230  B-   1598.1889     1.6777   72 925174.680       1.800
+   9   41   32   73 Ge       -71297.532       0.057      8705.0500     0.0008  B-   -344.7759     3.8528   72 923458.954       0.061
+   7   40   33   73 As       -70952.757       3.853      8689.6099     0.0528  B-  -2725.3604     7.3993   72 923829.086       4.136
+   5   39   34   73 Se       -68227.396       7.424      8641.5591     0.1017  B-  -4581.6095    10.0278   72 926754.881       7.969
+   3   38   35   73 Br       -63645.787       6.741      8568.0803     0.0923  B-  -7094.0287     9.4187   72 931673.441       7.237
+   1   37   36   73 Kr    x  -56551.758       6.578      8460.1847     0.0901  B- -10540.1468    41.3212   72 939289.193       7.061
+  -1   36   37   73 Rb   -p  -46011.611      40.794      8305.0821     0.5588  B- -14061#       403#       72 950604.506      43.794
+  -3   35   38   73 Sr    x  -31950#        401#         8102#         5#      B-      *                   72 965700#        430#
+0 22   48   26   74 Fe    x  -20660#        500#         8076#         7#      B-  12881#       640#       73 977821#        537#
+  20   47   27   74 Co    x  -33540#        400#         8239#         5#      B-  15160#       447#       73 963993#        429#
+  18   46   28   74 Ni    x  -48700#        200#         8433#         3#      B-   7306#       200#       73 947718#        215#
+  16   45   29   74 Cu    x  -56006.213       6.148      8521.5633     0.0831  B-   9750.5077     6.6424   73 939874.860       6.600
+  14   44   30   74 Zn    x  -65756.720       2.515      8642.7547     0.0340  B-   2292.9057     3.9102   73 929407.260       2.700
+  12   43   31   74 Ga    x  -68049.626       2.994      8663.1676     0.0405  B-   5372.8249     2.9941   73 926945.725       3.214
+  10   42   32   74 Ge       -73422.451       0.013      8725.2011     0.0003  B-  -2562.3871     1.6931   73 921177.760       0.013
+   8   41   33   74 As       -70860.064       1.693      8680.0020     0.0229  B-   1353.1467     1.6931   73 923928.596       1.817
+   6   40   34   74 Se       -72213.210       0.015      8687.7155     0.0003  B-  -6925.0492     5.8354   73 922475.933       0.015
+   4   39   35   74 Br       -65288.161       5.835      8583.5615     0.0789  B-  -2956.3173     6.1730   73 929910.279       6.264
+   2   38   36   74 Kr       -62331.844       2.013      8533.0390     0.0272  B- -10415.8280     3.4240   73 933084.016       2.161
+   0   37   37   74 Rb       -51916.016       3.027      8381.7123     0.0409  B- -11089#       100#       73 944265.867       3.249
+  -2   36   38   74 Sr    x  -40827#        100#         8221#         1#      B-      *                   73 956170#        107#
+0 23   49   26   75 Fe    x  -14700#        600#         7996#         8#      B-  15861#       721#       74 984219#        644#
+  21   48   27   75 Co    x  -30560#        400#         8197#         5#      B-  13680#       447#       74 967192#        429#
+  19   47   28   75 Ni    x  -44240#        200#         8369#         3#      B-  10230#       200#       74 952506#        215#
+  17   46   29   75 Cu       -54470.219       0.718      8495.0801     0.0096  B-   8088.6967     2.0837   74 941523.817       0.770
+  15   45   30   75 Zn    x  -62558.916       1.956      8592.4981     0.0261  B-   5901.7231     2.0679   74 932840.244       2.100
+  13   44   31   75 Ga    x  -68460.639       0.671      8660.7565     0.0089  B-   3396.3337     0.6727   74 926504.484       0.720
+  11   43   32   75 Ge   -n  -71856.973       0.052      8695.6096     0.0007  B-   1177.2301     0.8851   74 922858.370       0.055
+   9   42   33   75 As       -73034.203       0.884      8700.8748     0.0118  B-   -864.7139     0.8816   74 921594.562       0.948
+   7   41   34   75 Se       -72169.489       0.073      8678.9139     0.0010  B-  -3062.4694     4.2855   74 922522.870       0.078
+   5   40   35   75 Br    x  -69107.020       4.285      8627.6497     0.0571  B-  -4783.3880     9.1671   74 925810.566       4.600
+   3   39   36   75 Kr    x  -64323.632       8.104      8553.4399     0.1081  B-  -7104.9299     8.1895   74 930945.744       8.700
+   1   38   37   75 Rb    x  -57218.702       1.180      8448.2762     0.0157  B- -10600.0000   220.0000   74 938573.200       1.266
+  -1   37   38   75 Sr    -  -46618.702     220.003      8296.5116     2.9334  B- -14799#       372#       74 949952.767     236.183
+  -3   36   39   75 Y     x  -31820#        300#         8089#         4#      B-      *                   74 965840#        322#
+0 24   50   26   76 Fe    x  -10590#        600#         7943#         8#      B-  15070#       781#       75 988631#        644#
+  22   49   27   76 Co    x  -25660#        500#         8131#         7#      B-  16530#       583#       75 972453#        537#
+  20   48   28   76 Ni    x  -42190#        300#         8338#         4#      B-   8791#       300#       75 954707#        322#
+  18   47   29   76 Cu    x  -50981.627       0.913      8443.6018     0.0120  B-  11321.3964     1.7183   75 945268.974       0.980
+  16   46   30   76 Zn       -62303.024       1.456      8582.2735     0.0192  B-   3993.6241     2.4384   75 933114.956       1.562
+  14   45   31   76 Ga    x  -66296.648       1.956      8624.5272     0.0257  B-   6916.2501     1.9562   75 928827.624       2.100
+  12   44   32   76 Ge       -73212.898       0.018      8705.2364     0.0003  B-   -921.5145     0.8864   75 921402.725       0.019
+  10   43   33   76 As   -n  -72291.384       0.886      8682.8172     0.0117  B-   2960.5756     0.8864   75 922392.011       0.951
+   8   42   34   76 Se       -75251.959       0.016      8711.4781     0.0003  B-  -4962.8810     9.3218   75 919213.702       0.017
+   6   41   35   76 Br    -  -70289.078       9.322      8635.8830     0.1227  B-  -1275.3724    10.1490   75 924541.574      10.007
+   4   40   36   76 Kr       -69013.706       4.013      8608.8077     0.0528  B-  -8534.6172     4.1214   75 925910.743       4.308
+   2   39   37   76 Rb    x  -60479.089       0.938      8486.2161     0.0123  B-  -6231.4432    34.4780   75 935073.031       1.006
+   0   38   38   76 Sr    x  -54247.645      34.465      8393.9294     0.4535  B- -15998#       302#       75 941762.760      37.000
+  -2   37   39   76 Y     x  -38250#        300#         8173#         4#      B-      *                   75 958937#        322#
+0 23   50   27   77 Co    x  -21910#        600#         8082#         8#      B-  15440#       721#       76 976479#        644#
+  21   49   28   77 Ni    x  -37350#        400#         8272#         5#      B-  11513#       400#       76 959903#        429#
+  19   48   29   77 Cu    x  -48862.828       1.211      8411.2501     0.0157  B-   9926.3750     2.3148   76 947543.599       1.300
+  17   47   30   77 Zn       -58789.203       1.973      8530.0037     0.0256  B-   7203.1495     3.1237   76 936887.197       2.117
+  15   46   31   77 Ga    x  -65992.352       2.422      8613.3907     0.0315  B-   5220.5176     2.4225   76 929154.299       2.600
+  13   45   32   77 Ge   -n  -71212.870       0.053      8671.0293     0.0007  B-   2703.4642     1.6926   76 923549.843       0.056
+  11   44   33   77 As       -73916.334       1.692      8695.9789     0.0220  B-    683.1627     1.6920   76 920647.555       1.816
+   9   43   34   77 Se       -74599.497       0.062      8694.6908     0.0008  B-  -1364.6792     2.8099   76 919914.150       0.067
+   7   42   35   77 Br    -  -73234.818       2.811      8666.8073     0.0365  B-  -3065.3663     3.4244   76 921379.193       3.017
+   5   41   36   77 Kr    x  -70169.451       1.956      8616.8370     0.0254  B-  -5338.9516     2.3510   76 924669.999       2.100
+   3   40   37   77 Rb    x  -64830.500       1.304      8537.3396     0.0169  B-  -7027.0566     8.0244   76 930401.599       1.400
+   1   39   38   77 Sr    x  -57803.443       7.918      8435.9188     0.1028  B- -11365#       203#       76 937945.454       8.500
+  -1   38   39   77 Y    -p  -46439#        203#         8278#         3#      B- -14839#       448#       76 950146#        218#
+  -3   37   40   77 Zr    x  -31600#        400#         8075#         5#      B-      *                   76 966076#        429#
+0 24   51   27   78 Co    x  -15320#        700#         7997#         9#      B-  19560#       806#       77 983553#        751#
+  22   50   28   78 Ni    x  -34880#        400#         8238#         5#      B-   9910#       400#       77 962555#        429#
+  20   49   29   78 Cu       -44789.474      13.332      8354.6695     0.1709  B-  12693.7680    13.4727   77 951916.524      14.312
+  18   48   30   78 Zn       -57483.242       1.944      8507.3800     0.0249  B-   6220.8433     2.2088   77 938289.204       2.086
+  16   47   31   78 Ga       -63704.085       1.051      8577.1043     0.0135  B-   8157.9729     3.6884   77 931610.854       1.127
+  14   46   32   78 Ge  -nn  -71862.058       3.536      8671.6636     0.0453  B-    954.9114    10.3987   77 922852.911       3.795
+  12   45   33   78 As  +pn  -72816.970       9.779      8673.8760     0.1254  B-   4208.9819     9.7801   77 921827.771      10.498
+  10   44   34   78 Se       -77025.952       0.179      8717.8072     0.0023  B-  -3573.7836     3.5750   77 917309.244       0.191
+   8   43   35   78 Br    -  -73452.168       3.580      8661.9594     0.0459  B-    726.1153     3.5845   77 921145.858       3.842
+   6   42   36   78 Kr       -74178.283       0.307      8661.2385     0.0039  B-  -7242.8560     3.2520   77 920366.341       0.329
+   4   41   37   78 Rb    x  -66935.427       3.237      8558.3512     0.0415  B-  -3761.4779     8.1248   77 928141.866       3.475
+   2   40   38   78 Sr    x  -63173.949       7.452      8500.0971     0.0955  B- -11001#       298#       77 932179.979       8.000
+   0   39   39   78 Y     x  -52173#        298#         8349#         4#      B- -11323#       499#       77 943990#        320#
+  -2   38   40   78 Zr    x  -40850#        400#         8194#         5#      B-      *                   77 956146#        429#
+0 23   51   28   79 Ni    x  -28160#        500#         8150#         6#      B-  14248#       511#       78 969769#        537#
+  21   50   29   79 Cu    x  -42408.039     104.979      8320.9380     1.3289  B-  11024.2629   105.0030   78 954473.100     112.700
+  19   49   30   79 Zn       -53432.302       2.225      8450.5825     0.0282  B-   9116.0536     2.5295   78 942638.067       2.388
+  17   48   31   79 Ga       -62548.355       1.208      8556.0725     0.0153  B-   6978.8242    37.1467   78 932851.582       1.296
+  15   47   32   79 Ge       -69527.180      37.161      8634.5089     0.4704  B-   4108.9014    37.4361   78 925359.506      39.893
+  13   46   33   79 As       -73636.081       5.325      8676.6172     0.0674  B-   2281.3849     5.3284   78 920948.419       5.716
+  11   45   34   79 Se   -n  -75917.466       0.223      8695.5923     0.0028  B-    150.6016     1.0186   78 918499.252       0.238
+   9   44   35   79 Br       -76068.067       1.001      8687.5956     0.0127  B-  -1625.7778     3.3333   78 918337.574       1.074
+   7   43   36   79 Kr    -  -74442.290       3.480      8657.1130     0.0441  B-  -3639.5114     3.9423   78 920082.919       3.736
+   5   42   37   79 Rb       -70802.778       1.943      8601.1401     0.0246  B-  -5323.1140     7.5630   78 923990.095       2.085
+   3   41   38   79 Sr       -65479.664       7.421      8523.8558     0.0939  B-  -7676.7291    80.4515   78 929704.692       7.967
+   1   40   39   79 Y     x  -57802.935      80.108      8416.7788     1.0140  B- -11033#       310#       78 937946.000      86.000
+  -1   39   40   79 Zr    x  -46770#        300#         8267#         4#      B- -15120#       583#       78 949790#        322#
+  -3   38   41   79 Nb    x  -31650#        500#         8066#         6#      B-      *                   78 966022#        537#
+0 24   52   28   80 Ni    x  -23240#        600#         8088#         7#      B-  13440#       671#       79 975051#        644#
+  22   51   29   80 Cu    x  -36679#        300#         8246#         4#      B-  14969#       300#       79 960623#        322#
+  20   50   30   80 Zn       -51648.619       2.585      8423.5457     0.0323  B-   7575.0553     3.8774   79 944552.929       2.774
+  18   49   31   80 Ga    x  -59223.675       2.891      8508.4545     0.0361  B-  10311.6397     3.5409   79 936420.773       3.103
+  16   48   32   80 Ge    x  -69535.314       2.054      8627.5707     0.0257  B-   2679.2869     3.9156   79 925350.773       2.205
+  14   47   33   80 As    x  -72214.601       3.333      8651.2824     0.0417  B-   5544.8861     3.4412   79 922474.440       3.578
+  12   46   34   80 Se       -77759.487       0.947      8710.8142     0.0118  B-  -1870.4623     0.3095   79 916521.761       1.016
+  10   45   35   80 Br       -75889.025       0.993      8677.6541     0.0124  B-   2004.4299     1.1413   79 918529.784       1.065
+   8   44   36   80 Kr       -77893.455       0.695      8692.9301     0.0087  B-  -5717.9785     1.9883   79 916377.940       0.745
+   6   43   37   80 Rb    x  -72175.476       1.863      8611.6760     0.0233  B-  -1864.0090     3.9331   79 922516.442       2.000
+   4   42   38   80 Sr    x  -70311.467       3.464      8578.5966     0.0433  B-  -9163.3050     7.1389   79 924517.538       3.718
+   2   41   39   80 Y     x  -61148.162       6.242      8454.2759     0.0780  B-  -6388#       300#       79 934354.750       6.701
+   0   40   40   80 Zr    x  -54760#        300#         8365#         4#      B- -16339#       500#       79 941213#        322#
+  -2   39   41   80 Nb    x  -38420#        400#         8151#         5#      B-      *                   79 958754#        429#
+0 25   53   28   81 Ni    x  -16090#        700#         8000#         9#      B-  15820#       761#       80 982727#        751#
+  23   52   29   81 Cu    x  -31910#        300#         8185#         4#      B-  14289#       300#       80 965743#        322#
+  21   51   30   81 Zn    x  -46199.669       5.030      8351.9262     0.0621  B-  11428.2924     5.9960   80 950402.617       5.400
+  19   50   31   81 Ga    x  -57627.962       3.264      8483.3576     0.0403  B-   8663.7335     3.8508   80 938133.841       3.503
+  17   49   32   81 Ge    x  -66291.695       2.055      8580.6587     0.0254  B-   6241.6189     3.3436   80 928832.941       2.205
+  15   48   33   81 As       -72533.314       2.644      8648.0571     0.0326  B-   3855.7050     2.8072   80 922132.288       2.838
+  13   47   34   81 Se       -76389.019       0.977      8685.9998     0.0121  B-   1588.0317     1.3787   80 917993.019       1.049
+  11   46   35   81 Br       -77977.051       0.978      8695.9465     0.0121  B-   -280.8517     0.4713   80 916288.197       1.049
+   9   45   36   81 Kr       -77696.199       1.074      8682.8206     0.0133  B-  -2239.4954     5.0188   80 916589.703       1.152
+   7   44   37   81 Rb       -75456.704       4.904      8645.5139     0.0605  B-  -3928.5695     5.8170   80 918993.900       5.265
+   5   43   38   81 Sr    x  -71528.134       3.128      8587.3545     0.0386  B-  -5815.2156     6.2451   80 923211.393       3.358
+   3   42   39   81 Y     x  -65712.919       5.405      8505.9031     0.0667  B-  -8188.5003    92.3762   80 929454.283       5.802
+   1   41   40   81 Zr    x  -57524.418      92.218      8395.1519     1.1385  B- -11164#       410#       80 938245.000      99.000
+  -1   40   41   81 Nb    x  -46360#        400#         8248#         5#      B- -14900#       640#       80 950230#        429#
+  -3   39   42   81 Mo    x  -31460#        500#         8054#         6#      B-      *                   80 966226#        537#
+0 26   54   28   82 Ni    x  -10720#        800#         7935#        10#      B-  15010#       894#       81 988492#        859#
+  24   53   29   82 Cu    x  -25730#        400#         8108#         5#      B-  16584#       400#       81 972378#        429#
+  22   52   30   82 Zn    x  -42313.960       3.074      8301.1175     0.0375  B-  10616.7652     3.9162   81 954574.097       3.300
+  20   51   31   82 Ga    x  -52930.725       2.426      8421.0494     0.0296  B-  12484.3497     3.2960   81 943176.531       2.604
+  18   50   32   82 Ge    x  -65415.075       2.240      8563.7567     0.0273  B-   4690.3523     4.3452   81 929774.031       2.405
+  16   49   33   82 As    x  -70105.427       3.729      8611.4153     0.0455  B-   7488.4677     3.7579   81 924738.731       4.003
+  14   48   34   82 Se       -77593.895       0.466      8693.1973     0.0057  B-    -95.2184     1.0767   81 916699.531       0.500
+  12   47   35   82 Br       -77498.677       0.971      8682.4953     0.0118  B-   3093.1185     0.9714   81 916801.752       1.042
+  10   46   36   82 Kr       -80591.79509     0.00551    8710.6754     0.0003  B-  -4403.9824     3.0088   81 913481.15368     0.00591
+   8   45   37   82 Rb   IT  -76187.813       3.009      8647.4275     0.0367  B-   -177.7503     6.7048   81 918209.023       3.230
+   6   44   38   82 Sr       -76010.062       5.992      8635.7190     0.0731  B-  -7945.9650     8.1324   81 918399.845       6.432
+   4   43   39   82 Y     x  -68064.097       5.499      8529.2762     0.0671  B-  -4450.0341     5.7221   81 926930.189       5.902
+   2   42   40   82 Zr    x  -63614.063       1.584      8465.4666     0.0193  B- -11804#       300#       81 931707.497       1.700
+   0   41   41   82 Nb    x  -51810#        300#         8312#         4#      B- -11440#       500#       81 944380#        322#
+  -2   40   42   82 Mo    x  -40370#        400#         8163#         5#      B-      *                   81 956661#        429#
+0 25   54   29   83 Cu    x  -20390#        500#         8044#         6#      B-  15900#       583#       82 978110#        537#
+  23   53   30   83 Zn    x  -36290#        300#         8226#         4#      B-  12967#       300#       82 961041#        322#
+  21   52   31   83 Ga    x  -49257.129       2.612      8372.5756     0.0315  B-  11719.3136     3.5592   82 947120.300       2.804
+  19   51   32   83 Ge    x  -60976.442       2.427      8504.3462     0.0292  B-   8692.8893     3.6979   82 934539.100       2.604
+  17   50   33   83 As    x  -69669.331       2.799      8599.6540     0.0337  B-   5671.2117     4.1290   82 925206.900       3.004
+  15   49   34   83 Se   -n  -75340.543       3.036      8658.5560     0.0366  B-   3673.1780     4.8392   82 919118.604       3.259
+  13   48   35   83 Br       -79013.721       3.795      8693.3852     0.0457  B-    976.9222     3.7947   82 915175.285       4.073
+  11   47   36   83 Kr       -79990.643       0.009      8695.7295     0.0003  B-   -920.0039     2.3288   82 914126.516       0.009
+   9   46   37   83 Rb       -79070.639       2.329      8675.2193     0.0281  B-  -2273.0239     6.4245   82 915114.181       2.500
+   7   45   38   83 Sr       -76797.616       6.834      8638.4076     0.0823  B-  -4591.9435    19.8444   82 917554.372       7.336
+   5   44   39   83 Y     x  -72205.672      18.631      8573.6571     0.2245  B-  -6294.0125    19.7074   82 922484.026      20.000
+   3   43   40   83 Zr    x  -65911.659       6.430      8488.3997     0.0775  B-  -8298.7493   162.2075   82 929240.926       6.902
+   1   42   41   83 Nb    x  -57612.910     162.080      8378.9889     1.9528  B- -11273#       432#       82 938150.000     174.000
+  -1   41   42   83 Mo    x  -46340#        401#         8234#         5#      B- -15020#       641#       82 950252#        430#
+  -3   40   43   83 Tc    x  -31320#        500#         8043#         6#      B-      *                   82 966377#        537#
+0 26   55   29   84 Cu    x  -13720#        500#         7965#         6#      B-  18110#       640#       83 985271#        537#
+  24   54   30   84 Zn    x  -31830#        400#         8171#         5#      B-  12264#       401#       83 965829#        429#
+  22   53   31   84 Ga    x  -44094.136      29.808      8307.5250     0.3549  B-  14054.2989    29.9760   83 952663.000      32.000
+  20   52   32   84 Ge    x  -58148.435       3.171      8465.5244     0.0377  B-   7705.1329     4.4789   83 937575.090       3.403
+  18   51   33   84 As    x  -65853.568       3.171      8547.9385     0.0377  B-  10094.1624     3.7219   83 929303.290       3.403
+  16   50   34   84 Se       -75947.731       1.961      8658.7935     0.0233  B-   1835.3638    25.7652   83 918466.761       2.105
+  14   49   35   84 Br       -77783.094      25.730      8671.3294     0.3063  B-   4656.2510    25.7300   83 916496.417      27.622
+  12   48   36   84 Kr       -82439.34527     0.00382    8717.4473     0.0003  B-  -2680.3708     2.1940   83 911497.72708     0.00410
+  10   47   37   84 Rb       -79758.975       2.194      8676.2244     0.0261  B-    890.6058     2.3356   83 914375.223       2.355
+   8   46   38   84 Sr       -80649.580       1.243      8677.5132     0.0148  B-  -6755.1411     4.4114   83 913419.118       1.334
+   6   45   39   84 Y        -73894.439       4.299      8587.7812     0.0512  B-  -2472.7471     6.9767   83 920671.060       4.615
+   4   44   40   84 Zr    x  -71421.692       5.499      8549.0301     0.0655  B- -10227.8497     5.5133   83 923325.663       5.903
+   2   43   41   84 Nb    x  -61193.842       0.401      8417.9563     0.0048  B-  -7024#       298#       83 934305.711       0.430
+   0   42   42   84 Mo    x  -54170#        298#         8325#         4#      B- -16470#       499#       83 941846#        320#
+  -2   41   43   84 Tc    x  -37700#        400#         8120#         5#      B-      *                   83 959527#        429#
+0 25   55   30   85 Zn    x  -25100#        500#         8090#         6#      B-  14644#       502#       84 973054#        537#
+  23   54   31   85 Ga    x  -39744.059      37.260      8253.5687     0.4384  B-  13379.3679    37.4459   84 957333.000      40.000
+  21   53   32   85 Ge    x  -53123.427       3.729      8401.7689     0.0439  B-  10065.7253     4.8303   84 942969.658       4.003
+  19   52   33   85 As    x  -63189.152       3.078      8510.9851     0.0362  B-   9224.4929     4.0313   84 932163.658       3.304
+  17   51   34   85 Se  +3p  -72413.645       2.613      8610.3045     0.0307  B-   6161.8335     4.0313   84 922260.758       2.804
+  15   50   35   85 Br +n2p  -78575.478       3.078      8673.5926     0.0362  B-   2904.8622     3.6705   84 915645.758       3.304
+  13   49   36   85 Kr    +  -81480.341       2.000      8698.5633     0.0235  B-    687.0000     2.0000   84 912527.260       2.147
+  11   48   37   85 Rb       -82167.34065     0.00500    8697.4416     0.0003  B-  -1064.0510     2.8132   84 911789.73604     0.00537
+   9   47   38   85 Sr       -81103.290       2.813      8675.7193     0.0331  B-  -3261.1584    19.1729   84 912932.041       3.020
+   7   46   39   85 Y     x  -77842.131      18.965      8628.1486     0.2231  B-  -4666.9352    20.0257   84 916433.039      20.360
+   5   45   40   85 Zr    x  -73175.196       6.430      8564.0394     0.0756  B-  -6895.5120     7.6250   84 921443.199       6.902
+   3   44   41   85 Nb    x  -66279.684       4.099      8473.7117     0.0482  B-  -8769.9238    16.3572   84 928845.836       4.400
+   1   43   42   85 Mo    x  -57509.760      15.835      8361.3320     0.1863  B- -11660#       400#       84 938260.736      17.000
+  -1   42   43   85 Tc    x  -45850#        400#         8215#         5#      B- -15220#       640#       84 950778#        429#
+  -3   41   44   85 Ru    x  -30630#        500#         8027#         6#      B-      *                   84 967117#        537#
+0 26   56   30   86 Zn    x  -20062#        500#         8032#         6#      B-  13699#       640#       85 978463#        537#
+  24   55   31   86 Ga    x  -33760#        400#         8182#         5#      B-  15640#       593#       85 963757#        429#
+  22   54   32   86 Ge    x  -49399.927     437.802      8354.6300     5.0907  B-   9562.2229   437.8158   85 946967.000     470.000
+  20   53   33   86 As    x  -58962.150       3.450      8456.7215     0.0401  B-  11541.0256     4.2666   85 936701.532       3.703
+  18   52   34   86 Se    x  -70503.175       2.520      8581.8224     0.0293  B-   5129.0860     3.9717   85 924311.732       2.705
+  16   51   35   86 Br  +pp  -75632.261       3.078      8632.3659     0.0358  B-   7633.4147     3.0779   85 918805.432       3.304
+  14   50   36   86 Kr       -83265.67593     0.00372    8712.0295     0.0003  B-   -518.6734     0.2000   85 910610.62468     0.00399
+  12   49   37   86 Rb   -n  -82747.003       0.200      8696.9014     0.0023  B-   1776.0972     0.2001   85 911167.443       0.214
+  10   48   38   86 Sr       -84523.09977     0.00524    8708.4566     0.0003  B-  -5240.0000    14.1421   85 909260.72473     0.00563
+   8   47   39   86 Y     -  -79283.100      14.142      8638.4293     0.1644  B-  -1314.0763    14.5847   85 914886.095      15.182
+   6   46   40   86 Zr       -77969.023       3.566      8614.0523     0.0415  B-  -8834.9627     6.5521   85 916296.814       3.827
+   4   45   41   86 Nb    x  -69134.061       5.499      8502.2231     0.0639  B-  -5023.1337     6.2316   85 925781.536       5.903
+   2   44   42   86 Mo    x  -64110.927       2.932      8434.7175     0.0341  B- -12541#       300#       85 931174.092       3.147
+   0   43   43   86 Tc    x  -51570#        300#         8280#         3#      B- -11800#       500#       85 944637#        322#
+  -2   42   44   86 Ru    x  -39770#        400#         8133#         5#      B-      *                   85 957305#        429#
+0 25   56   31   87 Ga    x  -28870#        500#         8124#         6#      B-  14720#       583#       86 969007#        537#
+  23   55   32   87 Ge    x  -43590#        300#         8285#         3#      B-  12028#       300#       86 953204#        322#
+  21   54   33   87 As    x  -55617.914       2.985      8413.8521     0.0343  B-  10808.2192     3.7260   86 940291.716       3.204
+  19   53   34   87 Se    x  -66426.133       2.241      8529.0920     0.0258  B-   7465.5526     3.8766   86 928688.616       2.405
+  17   52   35   87 Br 2p-n  -73891.685       3.171      8605.9105     0.0364  B-   6817.8455     3.1805   86 920674.016       3.404
+  15   51   36   87 Kr   -n  -80709.531       0.246      8675.2840     0.0028  B-   3888.2706     0.2463   86 913354.759       0.264
+  13   50   37   87 Rb       -84597.802       0.006      8710.9843     0.0003  B-    282.2749     0.0063   86 909180.529       0.006
+  11   49   38   87 Sr       -84880.07643     0.00513    8705.2363     0.0003  B-  -1861.6894     1.1278   86 908877.49454     0.00550
+   9   48   39   87 Y     -  -83018.387       1.128      8674.8451     0.0130  B-  -3671.2405     4.2962   86 910876.100       1.210
+   7   47   40   87 Zr       -79347.147       4.146      8623.6545     0.0477  B-  -5472.6536     7.9633   86 914817.338       4.450
+   5   46   41   87 Nb    x  -73874.493       6.802      8551.7579     0.0782  B-  -6989.6757     7.3781   86 920692.473       7.302
+   3   45   42   87 Mo       -66884.817       2.857      8462.4243     0.0328  B-  -9194.7656     5.0729   86 928196.198       3.067
+   1   44   43   87 Tc    x  -57690.052       4.192      8347.7449     0.0482  B- -11960#       400#       86 938067.185       4.500
+  -1   43   44   87 Ru    x  -45730#        400#         8201#         5#      B-      *                   86 950907#        429#
+0 26   57   31   88 Ga    x  -22390#        500#         8050#         6#      B-  17129#       640#       87 975963#        537#
+  24   56   32   88 Ge    x  -39520#        400#         8236#         5#      B-  10930#       447#       87 957574#        429#
+  22   55   33   88 As    x  -50450#        200#         8351#         2#      B-  13434#       200#       87 945840#        215#
+  20   54   34   88 Se    x  -63884.203       3.357      8495.0045     0.0382  B-   6831.7640     4.6125   87 931417.490       3.604
+  18   53   35   88 Br   ++  -70715.967       3.171      8563.7479     0.0360  B-   8975.3282     4.1059   87 924083.290       3.404
+  16   52   36   88 Kr    x  -79691.295       2.608      8656.8499     0.0296  B-   2917.7090     2.6130   87 914447.879       2.800
+  14   51   37   88 Rb       -82609.004       0.159      8681.1154     0.0018  B-   5312.6243     0.1590   87 911315.590       0.170
+  12   50   38   88 Sr       -87921.62876     0.00561    8732.5958     0.0003  B-  -3622.6000     1.5000   87 905612.253       0.006
+  10   49   39   88 Y     -  -84299.029       1.500      8682.5396     0.0170  B-   -670.1549     5.6076   87 909501.274       1.610
+   8   48   40   88 Zr       -83628.874       5.403      8666.0339     0.0614  B-  -7457.3187    57.8921   87 910220.715       5.800
+   6   47   41   88 Nb       -76171.555      57.808      8572.4013     0.6569  B-  -3485.0021    57.9345   87 918226.476      62.059
+   4   46   42   88 Mo    x  -72686.553       3.819      8523.9087     0.0434  B- -11016.2515     5.6021   87 921967.779       4.100
+   2   45   43   88 Tc    x  -61670.301       4.099      8389.8338     0.0466  B-  -7331#       300#       87 933794.211       4.400
+   0   44   44   88 Ru    x  -54340#        300#         8298#         3#      B- -17479#       500#       87 941664#        322#
+  -2   43   45   88 Rh    x  -36860#        400#         8090#         5#      B-      *                   87 960429#        429#
+0 25   57   32   89 Ge    x  -33040#        400#         8161#         4#      B-  13490#       500#       88 964530#        429#
+  23   56   33   89 As    x  -46530#        300#         8304#         3#      B-  12462#       300#       88 950048#        322#
+  21   55   34   89 Se    x  -58992.398       3.729      8435.2799     0.0419  B-   9281.8730     4.9510   88 936669.058       4.003
+  19   54   35   89 Br    x  -68274.271       3.264      8530.7802     0.0367  B-   8261.5231     3.9045   88 926704.558       3.504
+  17   53   36   89 Kr    x  -76535.795       2.142      8614.8158     0.0241  B-   5176.6042     5.8342   88 917835.449       2.300
+  15   52   37   89 Rb       -81712.399       5.427      8664.1895     0.0610  B-   4496.6278     5.4265   88 912278.136       5.825
+  13   51   38   89 Sr       -86209.026       0.092      8705.9230     0.0011  B-   1502.1757     0.3510   88 907450.808       0.098
+  11   50   39   89 Y        -87711.202       0.339      8714.0110     0.0038  B-  -2833.2285     2.7652   88 905838.156       0.363
+   9   49   40   89 Zr       -84877.974       2.780      8673.3865     0.0312  B-  -4252.2191    23.7199   88 908879.751       2.983
+   7   48   41   89 Nb       -80625.755      23.630      8616.8184     0.2655  B-  -5610.8105    23.9513   88 913444.696      25.367
+   5   47   42   89 Mo    x  -75014.944       3.912      8544.9851     0.0440  B-  -7620.0875     5.4673   88 919468.149       4.200
+   3   46   43   89 Tc    x  -67394.857       3.819      8450.5758     0.0429  B-  -9025.4327    24.5181   88 927648.649       4.100
+   1   45   44   89 Ru    x  -58369.424      24.219      8340.3760     0.2721  B- -12719#       361#       88 937337.849      26.000
+  -1   44   45   89 Rh   -p  -45651#        361#         8189#         4#      B-      *                   88 950992#        387#
+0 26   58   32   90 Ge    x  -28470#        500#         8109#         6#      B-  12520#       640#       89 969436#        537#
+  24   57   33   90 As    x  -40990#        400#         8240#         4#      B-  14810#       518#       89 955995#        429#
+  22   56   34   90 Se    x  -55800.223     329.749      8395.7672     3.6639  B-   8200.0834   329.7660   89 940096.000     354.000
+  20   55   35   90 Br    x  -64000.306       3.357      8478.1865     0.0373  B-  10958.9533     3.8396   89 931292.848       3.604
+  18   54   36   90 Kr    x  -74959.259       1.863      8591.2599     0.0207  B-   4406.3133     6.7158   89 919527.929       2.000
+  16   53   37   90 Rb       -79365.573       6.452      8631.5262     0.0717  B-   6585.3721     6.4806   89 914797.557       6.926
+  14   52   38   90 Sr       -85950.945       1.449      8696.0043     0.0161  B-    545.9674     1.4060   89 907727.870       1.555
+  12   51   39   90 Y        -86496.912       0.354      8693.3778     0.0039  B-   2275.6350     0.3726   89 907141.749       0.379
+  10   50   40   90 Zr       -88772.547       0.118      8709.9699     0.0013  B-  -6111.0165     3.3163   89 904698.755       0.126
+   8   49   41   90 Nb       -82661.531       3.317      8633.3770     0.0369  B-  -2489.0165     3.3163   89 911259.201       3.561
+   6   48   42   90 Mo       -80172.514       3.463      8597.0285     0.0385  B-  -9447.8181     3.6110   89 913931.270       3.717
+   4   47   43   90 Tc    x  -70724.696       1.025      8483.3600     0.0114  B-  -5840.8951     3.8685   89 924073.919       1.100
+   2   46   44   90 Ru       -64883.801       3.730      8409.7684     0.0414  B- -13250#       200#       89 930344.378       4.004
+   0   45   45   90 Rh    -  -51634#        200#         8254#         2#      B- -11924#       447#       89 944569#        215#
+  -2   44   46   90 Pd    x  -39710#        400#         8113#         4#      B-      *                   89 957370#        429#
+0 25   58   33   91 As    x  -36500#        400#         8189#         4#      B-  14080#       589#       90 960816#        429#
+  23   57   34   91 Se    x  -50580.130     433.145      8334.8382     4.7598  B-  10527.1716   433.1593   90 945700.000     465.000
+  21   56   35   91 Br -n2p  -61107.301       3.543      8441.9242     0.0389  B-   9866.6724     4.1898   90 934398.617       3.804
+  19   55   36   91 Kr    x  -70973.974       2.236      8541.7519     0.0246  B-   6771.0748     8.1153   90 923806.309       2.400
+  17   54   37   91 Rb       -77745.049       7.801      8607.5621     0.0857  B-   5906.9010     8.8732   90 916537.261       8.375
+  15   53   38   91 Sr       -83651.950       5.453      8663.8759     0.0599  B-   2699.3714     5.2468   90 910195.942       5.853
+  13   52   39   91 Y        -86351.321       1.843      8684.9421     0.0203  B-   1544.2710     1.8403   90 907298.048       1.978
+  11   51   40   91 Zr       -87895.592       0.095      8693.3149     0.0011  B-  -1257.5644     2.9243   90 905640.205       0.101
+   9   50   41   91 Nb       -86638.028       2.926      8670.8983     0.0322  B-  -4429.1934     6.7439   90 906990.256       3.140
+   7   49   42   91 Mo       -82208.834       6.238      8613.6286     0.0686  B-  -6222.1768     6.6706   90 911745.190       6.696
+   5   48   43   91 Tc       -75986.657       2.363      8536.6558     0.0260  B-  -7746.8246     3.2422   90 918424.972       2.536
+   3   47   44   91 Ru       -68239.833       2.221      8442.9287     0.0244  B-  -9670#       298#       90 926741.530       2.384
+   1   46   45   91 Rh    x  -58570#        298#         8328#         3#      B- -12400#       300#       90 937123#        320#
+  -1   45   46   91 Pd    -  -46170#        423#         8183#         5#      B-      *                   90 950435#        454#
+0 26   59   33   92 As    x  -30380#        500#         8121#         5#      B-  16344#       640#       91 967386#        537#
+  24   58   34   92 Se    x  -46724#        400#         8290#         4#      B-   9509#       400#       91 949840#        429#
+  22   57   35   92 Br    x  -56232.812       6.709      8384.9123     0.0729  B-  12536.5161     7.2322   91 939631.595       7.202
+  20   56   36   92 Kr    x  -68769.329       2.701      8512.6750     0.0294  B-   6003.1210     6.6924   91 926173.092       2.900
+  18   55   37   92 Rb       -74772.450       6.123      8569.4225     0.0666  B-   8094.9212     6.4187   91 919728.477       6.573
+  16   54   38   92 Sr       -82867.371       3.423      8648.9070     0.0372  B-   1949.1237     9.3841   91 911038.222       3.675
+  14   53   39   92 Y        -84816.494       9.127      8661.5894     0.0992  B-   3642.5294     9.1271   91 908945.752       9.798
+  12   52   40   92 Zr       -88459.024       0.094      8692.6783     0.0011  B-  -2005.7335     1.7823   91 905035.336       0.101
+  10   51   41   92 Nb       -86453.290       1.784      8662.3731     0.0194  B-    355.2968     1.7911   91 907188.580       1.915
+   8   50   42   92 Mo       -86808.587       0.157      8657.7312     0.0017  B-  -7882.8841     3.1063   91 906807.153       0.168
+   6   49   43   92 Tc       -78925.703       3.102      8563.5440     0.0337  B-  -4624.4922     4.1246   91 915269.777       3.330
+   4   48   44   92 Ru       -74301.211       2.718      8504.7740     0.0295  B- -11302.1155     5.1531   91 920234.373       2.917
+   2   47   45   92 Rh    x  -62999.095       4.378      8373.4211     0.0476  B-  -8220.0000   345.0000   91 932367.692       4.700
+   0   46   46   92 Pd    -  -54779.095     345.028      8275.5695     3.7503  B- -17249#       528#       91 941192.225     370.402
+  -2   45   47   92 Ag    x  -37530#        400#         8080#         4#      B-      *                   91 959710#        429#
+0 25   59   34   93 Se    x  -40860#        400#         8225#         4#      B-  12030#       588#       92 956135#        429#
+  23   58   35   93 Br    x  -52890.235     430.816      8345.5986     4.6324  B-  11245.7673   430.8234   92 943220.000     462.500
+  21   57   36   93 Kr    x  -64136.002       2.515      8458.1085     0.0270  B-   8483.8977     8.2243   92 931147.172       2.700
+  19   56   37   93 Rb       -72619.900       7.830      8540.9209     0.0842  B-   7465.9434     8.8761   92 922039.334       8.406
+  17   55   38   93 Sr       -80085.844       7.554      8612.7875     0.0812  B-   4141.3118    11.6972   92 914024.314       8.109
+  15   54   39   93 Y        -84227.155      10.488      8648.9054     0.1128  B-   2894.8723    10.4830   92 909578.434      11.259
+  13   53   40   93 Zr       -87122.028       0.456      8671.6207     0.0049  B-     90.8123     1.4838   92 906470.661       0.489
+  11   52   41   93 Nb       -87212.840       1.490      8664.1849     0.0160  B-   -405.7609     1.5012   92 906373.170       1.599
+   9   51   42   93 Mo   -n  -86807.079       0.181      8651.4095     0.0020  B-  -3200.9629     1.0040   92 906808.772       0.193
+   7   50   43   93 Tc   -p  -83606.116       1.012      8608.5782     0.0109  B-  -6389.3929     2.2995   92 910245.147       1.086
+   5   49   44   93 Ru       -77216.723       2.065      8531.4627     0.0222  B-  -8204.9136     3.3425   92 917104.442       2.216
+   3   48   45   93 Rh       -69011.810       2.629      8434.8255     0.0283  B- -10030.0000   370.0000   92 925912.778       2.821
+   1   47   46   93 Pd    -  -58981.810     370.009      8318.5637     3.9786  B- -12582#       545#       92 936680.426     397.221
+  -1   46   47   93 Ag    x  -46400#        401#         8175#         4#      B-      *                   92 950188#        430#
+0 26   60   34   94 Se    x  -36803#        500#         8180#         5#      B-  10846#       539#       93 960490#        537#
+  24   59   35   94 Br    x  -47650#        200#         8287#         2#      B-  13698#       201#       93 948846#        215#
+  22   58   36   94 Kr    x  -61347.780      12.109      8424.3318     0.1288  B-   7215.0114    12.2782   93 934140.452      13.000
+  20   57   37   94 Rb       -68562.791       2.029      8492.7644     0.0216  B-  10282.9297     2.6230   93 926394.819       2.177
+  18   56   38   94 Sr       -78845.721       1.663      8593.8344     0.0177  B-   3505.7517     6.4220   93 915355.641       1.785
+  16   55   39   94 Y        -82351.473       6.380      8622.8068     0.0679  B-   4917.8589     6.3799   93 911592.062       6.849
+  14   54   40   94 Zr       -87269.332       0.164      8666.8016     0.0018  B-   -900.2684     1.5000   93 906312.523       0.175
+  12   53   41   94 Nb       -86369.063       1.491      8648.9014     0.0159  B-   2045.0163     1.4937   93 907279.001       1.600
+  10   52   42   94 Mo       -88414.079       0.141      8662.3341     0.0015  B-  -4255.7476     4.0687   93 905083.586       0.151
+   8   51   43   94 Tc    -  -84158.332       4.071      8608.7373     0.0433  B-  -1574.7296     5.1433   93 909652.319       4.370
+   6   50   44   94 Ru       -82583.602       3.143      8583.6620     0.0334  B-  -9675.9789     4.6150   93 911342.860       3.374
+   4   49   45   94 Rh       -72907.623       3.379      8472.4033     0.0359  B-  -6805.3428     5.4588   93 921730.450       3.627
+   2   48   46   94 Pd    x  -66102.281       4.287      8391.6832     0.0456  B- -13700#       400#       93 929036.286       4.602
+   0   47   47   94 Ag    -  -52402#        400#         8238#         4#      B- -11962#       640#       93 943744#        429#
+  -2   46   48   94 Cd    x  -40440#        500#         8102#         5#      B-      *                   93 956586#        537#
+0 27   61   34   95 Se    x  -30460#        500#         8112#         5#      B-  13390#       583#       94 967300#        537#
+  25   60   35   95 Br    x  -43850#        300#         8245#         3#      B-  12309#       301#       94 952925#        322#
+  23   59   36   95 Kr    x  -56158.920      18.630      8365.9963     0.1961  B-   9731.3868    27.5124   94 939710.922      20.000
+  21   58   37   95 Rb       -65890.307      20.245      8460.1967     0.2131  B-   9226.9772    20.2036   94 929263.849      21.733
+  19   57   38   95 Sr       -75117.284       5.810      8549.0875     0.0612  B-   6090.6528     7.2395   94 919358.282       6.237
+  17   56   39   95 Y        -81207.937       6.779      8604.9644     0.0714  B-   4452.0031     6.7718   94 912819.697       7.277
+  15   55   40   95 Zr       -85659.940       0.869      8643.5924     0.0092  B-   1126.3312     0.9854   94 908040.276       0.933
+  13   54   41   95 Nb       -86786.272       0.508      8647.2133     0.0054  B-    925.6009     0.4938   94 906831.110       0.545
+  11   53   42   95 Mo       -87711.872       0.123      8648.7212     0.0013  B-  -1690.5175     5.0782   94 905837.436       0.132
+   9   52   43   95 Tc       -86021.355       5.080      8622.6911     0.0535  B-  -2563.5961    10.5310   94 907652.281       5.453
+   7   51   44   95 Ru       -83457.759       9.502      8587.4706     0.1000  B-  -5117.1423    10.2656   94 910404.415      10.200
+   5   50   45   95 Rh       -78340.616       3.886      8525.3707     0.0409  B-  -8374.7035     4.9281   94 915897.893       4.171
+   3   49   46   95 Pd    x  -69965.913       3.031      8428.9807     0.0319  B- -10060#       400#       94 924888.506       3.253
+   1   48   47   95 Ag    -  -59906#        400#         8315#         4#      B- -12850#       400#       94 935688#        429#
+  -1   47   48   95 Cd    -  -47056#        566#         8171#         6#      B-      *                   94 949483#        607#
+0 26   61   35   96 Br    x  -38210#        300#         8184#         3#      B-  14872#       301#       95 958980#        322#
+  24   60   36   96 Kr       -53081.682      19.277      8330.8721     0.2008  B-   8272.6693    19.5669   95 943014.473      20.695
+  22   59   37   96 Rb       -61354.351       3.353      8408.8963     0.0349  B-  11563.8970     9.1062   95 934133.398       3.599
+  20   58   38   96 Sr       -72918.248       8.466      8521.2041     0.0882  B-   5411.7380     9.7257   95 921719.045       9.089
+  18   57   39   96 Y        -78329.986       6.075      8569.4269     0.0633  B-   7108.8741     6.0740   95 915909.305       6.521
+  16   56   40   96 Zr       -85438.860       0.114      8635.3283     0.0012  B-    163.9704     0.1000   95 908277.615       0.122
+  14   55   41   96 Nb       -85602.830       0.147      8628.8868     0.0015  B-   3192.0590     0.1070   95 908101.586       0.157
+  12   54   42   96 Mo       -88794.889       0.120      8653.9880     0.0013  B-  -2973.2411     5.1450   95 904674.770       0.128
+  10   53   43   96 Tc    -  -85821.648       5.146      8614.8673     0.0536  B-    258.7369     5.1464   95 907866.675       5.524
+   8   52   44   96 Ru       -86080.385       0.170      8609.4130     0.0018  B-  -6392.6529    10.0000   95 907588.910       0.182
+   6   51   45   96 Rh    -  -79687.732      10.001      8534.6735     0.1042  B-  -3504.3127    10.8442   95 914451.705      10.737
+   4   50   46   96 Pd    x  -76183.420       4.194      8490.0207     0.0437  B- -11671.7741    90.1814   95 918213.739       4.502
+   2   49   47   96 Ag   ep  -64511.645      90.084      8360.2903     0.9384  B-  -8940#       400#       95 930743.903      96.708
+   0   48   48   96 Cd    -  -55572#        410#         8259#         4#      B- -17482#       647#       95 940341#        440#
+  -2   47   49   96 In    x  -38090#        500#         8069#         5#      B-      *                   95 959109#        537#
+0 27   62   35   97 Br    x  -34000#        400#         8140#         4#      B-  13423#       420#       96 963499#        429#
+  25   61   36   97 Kr    x  -47423.499     130.409      8269.8645     1.3444  B-  11095.6460   130.4232   96 949088.782     140.000
+  23   60   37   97 Rb       -58519.145       1.912      8376.1872     0.0197  B-  10061.5295     3.8872   96 937177.117       2.052
+  21   59   38   97 Sr       -68580.674       3.385      8471.8489     0.0349  B-   7534.7807     7.5131   96 926375.621       3.633
+  19   58   39   97 Y     +  -76115.455       6.708      8541.4616     0.0692  B-   6821.2382     6.7068   96 918286.702       7.201
+  17   57   40   97 Zr       -82936.693       0.121      8603.7182     0.0013  B-   2666.1038     4.2435   96 910963.802       0.130
+  15   56   41   97 Nb       -85602.797       4.244      8623.1384     0.0438  B-   1941.9038     4.2435   96 908101.622       4.556
+  13   55   42   97 Mo       -87544.700       0.165      8635.0926     0.0017  B-   -320.2640     4.1169   96 906016.903       0.176
+  11   54   43   97 Tc       -87224.436       4.118      8623.7254     0.0425  B-  -1103.8722     4.9563   96 906360.720       4.420
+   9   53   44   97 Ru   -n  -86120.564       2.763      8604.2799     0.0285  B-  -3523.0000    35.3553   96 907545.776       2.965
+   7   52   45   97 Rh    -  -82597.564      35.463      8559.8949     0.3656  B-  -4791.7118    35.7924   96 911327.872      38.071
+   5   51   46   97 Pd    x  -77805.852       4.844      8502.4303     0.0499  B-  -6901.8255    12.9558   96 916471.985       5.200
+   3   50   47   97 Ag    x  -70904.027      12.016      8423.2121     0.1239  B- -10170.0000   420.0000   96 923881.400      12.900
+   1   49   48   97 Cd    -  -60734.027     420.172      8310.3013     4.3317  B- -13344#       580#       96 934799.343     451.073
+  -1   48   49   97 In    x  -47390#        401#         8165#         4#      B-      *                   96 949125#        430#
+0 28   63   35   98 Br    x  -28050#        400#         8078#         4#      B-  16070#       500#       97 969887#        429#
+  26   62   36   98 Kr    x  -44120#        300#         8234#         3#      B-  10249#       300#       97 952635#        322#
+  24   61   37   98 Rb       -54369.152      16.083      8330.7294     0.1641  B-  12053.2361    16.4029   97 941632.317      17.265
+  22   60   38   98 Sr       -66422.389       3.226      8445.7385     0.0329  B-   5866.3591     8.5504   97 928692.636       3.463
+  20   59   39   98 Y  p-2n  -72288.748       7.919      8497.6162     0.0808  B-   8993.0098    11.5755   97 922394.841       8.501
+  18   58   40   98 Zr       -81281.757       8.445      8581.3984     0.0862  B-   2242.8547     9.8134   97 912740.448       9.065
+  16   57   41   98 Nb  -pn  -83524.612       5.001      8596.3016     0.0510  B-   4591.3681     5.0032   97 910332.645       5.369
+  14   56   42   98 Mo       -88115.980       0.174      8635.1691     0.0018  B-  -1683.7664     3.3768   97 905403.609       0.186
+  12   55   43   98 Tc       -86432.214       3.380      8610.0047     0.0345  B-   1792.6575     7.1568   97 907211.206       3.628
+  10   54   44   98 Ru       -88224.871       6.463      8620.3140     0.0659  B-  -5049.6529    10.0000   97 905286.709       6.937
+   8   53   45   98 Rh    -  -83175.219      11.906      8560.8038     0.1215  B-  -1854.2331    12.8161   97 910707.734      12.782
+   6   52   46   98 Pd       -81320.985       4.742      8533.8999     0.0484  B-  -8254.5607    33.0975   97 912698.335       5.090
+   4   51   47   98 Ag       -73066.425      32.907      8441.6866     0.3358  B-  -5430.0000    40.0000   97 921559.970      35.327
+   2   50   48   98 Cd    -  -67636.425      51.797      8378.2953     0.5285  B- -13730#       300#       97 927389.315      55.605
+   0   49   49   98 In    -  -53906#        304#         8230#         3#      B-      *                   97 942129#        327#
+0 27   63   36   99 Kr    x  -38400#        400#         8175#         4#      B-  12721#       400#       98 958776#        429#
+  25   62   37   99 Rb    x  -51121.150       4.031      8295.3010     0.0407  B-  11397.3767     6.2201   98 945119.190       4.327
+  23   61   38   99 Sr       -62518.527       4.737      8402.5235     0.0479  B-   8125.2037     8.1353   98 932883.604       5.085
+  21   60   39   99 Y     x  -70643.730       6.615      8476.6938     0.0668  B-   6972.9398    12.4082   98 924160.839       7.101
+  19   59   40   99 Zr       -77616.670      10.499      8539.2250     0.1061  B-   4718.6736    15.9474   98 916675.081      11.271
+  17   58   41   99 Nb   +p  -82335.344      12.004      8578.9859     0.1213  B-   3634.7623    12.0059   98 911609.377      12.886
+  15   57   42   99 Mo       -85970.106       0.229      8607.7982     0.0023  B-   1357.7631     0.8905   98 907707.299       0.245
+  13   56   43   99 Tc       -87327.869       0.908      8613.6105     0.0092  B-    297.5156     0.9453   98 906249.681       0.974
+  11   55   44   99 Ru       -87625.385       0.343      8608.7132     0.0035  B-  -2040.8632    19.4529   98 905930.284       0.368
+   9   54   45   99 Rh       -85584.522      19.451      8580.1959     0.1965  B-  -3401.6603    18.9153   98 908121.241      20.881
+   7   53   46   99 Pd       -82182.861       5.107      8537.9332     0.0516  B-  -5470.3785     8.0829   98 911773.073       5.482
+   5   52   47   99 Ag    x  -76712.483       6.265      8474.7744     0.0633  B-  -6781.3511     6.4622   98 917645.766       6.725
+   3   51   48   99 Cd    x  -69931.132       1.584      8398.3734     0.0160  B-  -8555#       298#       98 924925.845       1.700
+   1   50   49   99 In    x  -61376#        298#         8304#         3#      B- -13400#       500#       98 934110#        320#
+  -1   49   50   99 Sn    -  -47976#        582#         8161#         6#      B-      *                   98 948495#        625#
+0 28   64   36  100 Kr    x  -34470#        400#         8134#         4#      B-  11796#       400#       99 962995#        429#
+  26   63   37  100 Rb       -46265.884      13.124      8244.5085     0.1312  B-  13551.6204    14.8355   99 950331.532      14.089
+  24   62   38  100 Sr       -59817.505       6.918      8372.2012     0.0692  B-   7503.7365    13.1453   99 935783.270       7.426
+  22   61   39  100 Y     x  -67321.241      11.179      8439.4151     0.1118  B-   9051.4949    13.8293   99 927727.678      12.000
+  20   60   40  100 Zr       -76372.736       8.143      8522.1066     0.0814  B-   3418.5098    11.3976   99 918010.499       8.742
+  18   59   41  100 Nb   IT  -79791.246       7.976      8548.4683     0.0798  B-   6401.7829     7.9817   99 914340.578       8.562
+  16   58   42  100 Mo       -86193.029       0.301      8604.6626     0.0030  B-   -172.0776     1.3704   99 907467.982       0.322
+  14   57   43  100 Tc   -n  -86020.951       1.351      8595.1184     0.0135  B-   3206.4401     1.3760   99 907652.715       1.450
+  12   56   44  100 Ru       -89227.391       0.342      8619.3593     0.0034  B-  -3636.2612    18.1231   99 904210.460       0.367
+  10   55   45  100 Rh       -85591.130      18.125      8575.1732     0.1813  B-   -378.4577    25.2879   99 908114.147      19.458
+   8   54   46  100 Pd       -85212.672      17.637      8563.5652     0.1764  B-  -7074.7030    18.3319   99 908520.438      18.934
+   6   53   47  100 Ag    x  -78137.969       5.000      8484.9947     0.0500  B-  -3943.3740     5.2735   99 916115.443       5.367
+   4   52   48  100 Cd    x  -74194.595       1.677      8437.7375     0.0168  B- -10016.4492     2.7945   99 920348.829       1.800
+   2   51   49  100 In    x  -64178.146       2.236      8329.7495     0.0224  B-  -7030.0000   240.0000   99 931101.929       2.400
+   0   50   50  100 Sn    -  -57148.146     240.010      8251.6260     2.4001  B-      *                   99 938648.944     257.661
+0 29   65   36  101 Kr    x  -28580#        500#         8075#         5#      B-  13987#       501#      100 969318#        537#
+  27   64   37  101 Rb    x  -42567.417      20.493      8206.1753     0.2029  B-  12757.4969    22.1781  100 954302.000      22.000
+  25   63   38  101 Sr    x  -55324.914       8.480      8324.7411     0.0840  B-   9729.8721    11.0473  100 940606.264       9.103
+  23   62   39  101 Y     x  -65054.787       7.080      8413.3305     0.0701  B-   8106.2003    10.9331  100 930160.817       7.601
+  21   61   40  101 Zr       -73160.987       8.332      8485.8439     0.0825  B-   5730.5011     9.1366  100 921458.454       8.944
+  19   60   41  101 Nb    x  -78891.488       3.749      8534.8355     0.0371  B-   4628.4637     3.7378  100 915306.508       4.024
+  17   59   42  101 Mo   -n  -83519.952       0.308      8572.9159     0.0031  B-   2824.6411    24.0018  100 910337.648       0.331
+  15   58   43  101 Tc    +  -86344.593      24.004      8593.1366     0.2377  B-   1613.5200    24.0000  100 907305.271      25.768
+  13   57   44  101 Ru       -87958.113       0.413      8601.3660     0.0041  B-   -545.6846     5.8518  100 905573.086       0.443
+  11   56   45  101 Rh       -87412.428       5.841      8588.2172     0.0578  B-  -1980.2833     3.9027  100 906158.903       6.270
+   9   55   46  101 Pd       -85432.145       4.588      8560.8644     0.0454  B-  -4097.7606     6.6679  100 908284.824       4.925
+   7   54   47  101 Ag    x  -81334.384       4.838      8512.5465     0.0479  B-  -5497.9186     5.0625  100 912683.951       5.193
+   5   53   48  101 Cd    x  -75836.466       1.490      8450.3657     0.0148  B-  -7291.5642    11.7569  100 918586.209       1.600
+   3   52   49  101 In    x  -68544.901      11.662      8370.4260     0.1155  B-  -8239.2770   300.2313  100 926414.025      12.519
+   1   51   50  101 Sn   ep  -60305.624     300.005      8281.1030     2.9703  B-      *                  100 935259.252     322.068
+0 28   65   37  102 Rb    x  -37252.312      82.903      8152.7443     0.8128  B-  14906.9991   106.6347  101 960008.000      89.000
+  26   64   38  102 Sr    x  -52159.311      67.068      8291.2213     0.6575  B-   9013.3301    67.1916  101 944004.679      72.000
+  24   63   39  102 Y     x  -61172.641       4.081      8371.9172     0.0400  B-  10408.7856     9.6618  101 934328.471       4.381
+  22   62   40  102 Zr       -71581.427       8.758      8466.2940     0.0859  B-   4716.8380     9.0530  101 923154.181       9.401
+  20   61   41  102 Nb       -76298.265       2.511      8504.8675     0.0246  B-   7262.6008     8.6750  101 918090.447       2.695
+  18   60   42  102 Mo       -83560.866       8.305      8568.3994     0.0814  B-   1012.0557    12.3682  101 910293.725       8.916
+  16   59   43  102 Tc       -84572.921       9.166      8570.6514     0.0899  B-   4533.5134     9.1646  101 909207.239       9.840
+  14   58   44  102 Ru       -89106.435       0.416      8607.4275     0.0041  B-  -2323.1187     6.3960  101 904340.312       0.446
+  12   57   45  102 Rh    -  -86783.316       6.410      8576.9818     0.0628  B-   1119.6470     6.3962  101 906834.282       6.880
+  10   56   46  102 Pd       -87902.963       0.419      8580.2887     0.0041  B-  -5656.2615     8.1816  101 905632.292       0.449
+   8   55   47  102 Ag    +  -82246.702       8.171      8517.1650     0.0801  B-  -2587.0000     8.0000  101 911704.538       8.771
+   6   54   48  102 Cd       -79659.702       1.662      8484.1322     0.0163  B-  -8964.8059     4.8654  101 914481.797       1.784
+   4   53   49  102 In       -70694.896       4.573      8388.5719     0.0448  B-  -5760.0000   100.0000  101 924105.911       4.909
+   2   52   50  102 Sn    -  -64934.896     100.105      8324.4313     0.9814  B- -13835#       412#      101 930289.525     107.466
+   0   51   51  102 Sb    x  -51100#        400#         8181#         4#      B-      *                  101 945142#        429#
+0 29   66   37  103 Rb    x  -33160#        400#         8112#         4#      B-  14120#       447#      102 964401#        429#
+  27   65   38  103 Sr    x  -47280#        200#         8242#         2#      B-  11177#       201#      102 949243#        215#
+  25   64   39  103 Y     x  -58457.034      11.206      8342.6336     0.1088  B-   9351.9600    14.5130  102 937243.796      12.029
+  23   63   40  103 Zr    x  -67808.993       9.223      8425.8337     0.0895  B-   7219.6740    10.0270  102 927204.054       9.900
+  21   62   41  103 Nb    x  -75028.667       3.935      8488.3320     0.0382  B-   5925.6639    10.0270  102 919453.416       4.224
+  19   61   42  103 Mo    x  -80954.331       9.223      8538.2672     0.0895  B-   3649.5889    13.4648  102 913091.954       9.900
+  17   60   43  103 Tc   +p  -84603.920       9.810      8566.1045     0.0952  B-   2663.2474     9.8086  102 909173.960      10.531
+  15   59   44  103 Ru       -87267.168       0.441      8584.3656     0.0043  B-    764.5378     2.2598  102 906314.846       0.473
+  13   58   45  103 Rh       -88031.705       2.301      8584.1927     0.0223  B-   -574.7252     2.3928  102 905494.081       2.470
+  11   57   46  103 Pd   -n  -87456.980       0.878      8571.0173     0.0085  B-  -2654.2778     4.1916  102 906111.074       0.942
+   9   56   47  103 Ag    x  -84802.702       4.099      8537.6520     0.0398  B-  -4151.0761     4.4806  102 908960.558       4.400
+   7   55   48  103 Cd       -80651.626       1.811      8489.7547     0.0176  B-  -6019.2293     9.1242  102 913416.922       1.943
+   5   54   49  103 In       -74632.397       8.980      8423.7199     0.0872  B-  -7540#       100#      102 919878.830       9.640
+   3   53   50  103 Sn    -  -67092#        100#         8343#         1#      B- -10422#       316#      102 927973#        108#
+   1   52   51  103 Sb    x  -56670#        300#         8234#         3#      B-      *                  102 939162#        322#
+0 30   67   37  104 Rb    x  -27450#        500#         8057#         5#      B-  16310#       583#      103 970531#        537#
+  28   66   38  104 Sr    x  -43760#        300#         8206#         3#      B-  10320#       361#      103 953022#        322#
+  26   65   39  104 Y     x  -54080#        200#         8298#         2#      B-  11638#       200#      103 941943#        215#
+  24   64   40  104 Zr    x  -65717.660       9.316      8402.3159     0.0896  B-   6093.3367     9.4851  103 929449.193      10.000
+  22   63   41  104 Nb    x  -71810.997       1.784      8453.3832     0.0172  B-   8532.7512     9.0879  103 922907.728       1.915
+  20   62   42  104 Mo       -80343.748       8.911      8527.9063     0.0857  B-   2155.2212    24.1665  103 913747.443       9.566
+  18   61   43  104 Tc       -82498.969      24.886      8541.1070     0.2393  B-   5596.7945    24.9370  103 911433.718      26.716
+  16   60   44  104 Ru       -88095.763       2.498      8587.3998     0.0240  B-  -1136.4195     3.3643  103 905425.312       2.682
+  14   59   45  104 Rh   -n  -86959.344       2.303      8568.9501     0.0221  B-   2435.7789     2.6595  103 906645.309       2.471
+  12   58   46  104 Pd   +n  -89395.123       1.336      8584.8485     0.0129  B-  -4278.6529     4.0000  103 904030.393       1.434
+  10   57   47  104 Ag    -  -85116.470       4.217      8536.1850     0.0406  B-  -1148.0787     4.5370  103 908623.715       4.527
+   8   56   48  104 Cd       -83968.391       1.673      8517.6232     0.0161  B-  -7785.7166     6.0127  103 909856.228       1.795
+   6   55   49  104 In    x  -76182.675       5.775      8435.2380     0.0555  B-  -4555.6174     8.1461  103 918214.538       6.200
+   4   54   50  104 Sn       -71627.057       5.745      8383.9114     0.0552  B- -12332#       102#      103 923105.195       6.167
+   2   53   51  104 Sb   +a  -59295#        101#         8258#         1#      B-  -9668#       333#      103 936344#        109#
+   0   52   52  104 Te   -a  -49626.831     317.609      8157.3256     3.0539  B-      *                  103 946723.408     340.967
+0 29   67   38  105 Sr    x  -38190#        500#         8152#         5#      B-  12380#       640#      104 959001#        537#
+  27   66   39  105 Y     x  -50570#        400#         8262#         4#      B-  10888#       400#      104 945711#        429#
+  25   65   40  105 Zr    x  -61458.274      12.110      8358.5980     0.1153  B-   8457.2728    12.7625  104 934021.832      13.000
+  23   64   41  105 Nb    x  -69915.547       4.028      8431.6925     0.0384  B-   7415.2411     9.9106  104 924942.577       4.324
+  21   63   42  105 Mo       -77330.788       9.055      8494.8630     0.0862  B-   4955.5157    35.0307  104 916981.989       9.721
+  19   62   43  105 Tc       -82286.303      35.263      8534.6074     0.3358  B-   3648.2396    35.2787  104 911662.024      37.856
+  17   61   44  105 Ru       -85934.543       2.499      8561.9016     0.0238  B-   1916.7271     2.8508  104 907745.478       2.683
+  15   60   45  105 Rh       -87851.270       2.502      8572.7053     0.0238  B-    566.6347     2.3459  104 905687.787       2.685
+  13   59   46  105 Pd       -88417.905       1.138      8570.6509     0.0108  B-  -1347.0564     4.6695  104 905079.479       1.222
+  11   58   47  105 Ag       -87070.848       4.544      8550.3708     0.0433  B-  -2736.9989     4.3618  104 906525.604       4.877
+   9   57   48  105 Cd       -84333.849       1.392      8516.8532     0.0133  B-  -4693.2673    10.3405  104 909463.893       1.494
+   7   56   49  105 In    x  -79640.582      10.246      8464.7045     0.0976  B-  -6302.5807    10.9891  104 914502.322      11.000
+   5   55   50  105 Sn       -73338.001       3.971      8397.2290     0.0378  B-  -9322.5103    22.1849  104 921268.421       4.263
+   3   54   51  105 Sb   +a  -64015.491      21.827      8300.9923     0.2079  B- -11203.9825   300.8126  104 931276.547      23.431
+   1   53   52  105 Te   -a  -52811.509     300.020      8186.8368     2.8573  B-      *                  104 943304.516     322.084
+0 30   68   38  106 Sr    x  -34300#        600#         8114#         6#      B-  11490#       781#      105 963177#        644#
+  28   67   39  106 Y     x  -45790#        500#         8215#         5#      B-  12959#       539#      105 950842#        537#
+  26   66   40  106 Zr    x  -58749#        200#         8330#         2#      B-   7453#       200#      105 936930#        215#
+  24   65   41  106 Nb       -66202.678       1.416      8393.2657     0.0134  B-   9925.3249     9.2388  105 928928.505       1.520
+  22   64   42  106 Mo    x  -76128.003       9.130      8479.5202     0.0861  B-   3648.2494    15.2778  105 918273.231       9.801
+  20   63   43  106 Tc    +  -79776.253      12.250      8506.5570     0.1156  B-   6547.0000    11.0000  105 914356.674      13.150
+  18   62   44  106 Ru       -86323.253       5.391      8560.9406     0.0509  B-     39.4038     0.2121  105 907328.181       5.787
+  16   61   45  106 Rh       -86362.656       5.390      8553.9317     0.0508  B-   3544.8865     5.3348  105 907285.879       5.786
+  14   60   46  106 Pd       -89907.543       1.106      8579.9934     0.0104  B-  -2965.1434     2.8172  105 903480.287       1.186
+  12   59   47  106 Ag       -86942.399       3.016      8544.6397     0.0285  B-    189.7534     2.8190  105 906663.499       3.237
+  10   58   48  106 Cd       -87132.153       1.104      8539.0492     0.0104  B-  -6524.0031    12.1765  105 906459.791       1.184
+   8   57   49  106 In    -  -80608.150      12.226      8470.1213     0.1153  B-  -3254.4521    13.2439  105 913463.596      13.125
+   6   56   50  106 Sn       -77353.698       5.091      8432.0383     0.0480  B- -10880.3964     9.0249  105 916957.394       5.465
+   4   55   51  106 Sb    x  -66473.301       7.452      8322.0124     0.0703  B-  -8253.5423   100.8163  105 928637.979       8.000
+   2   54   52  106 Te   -a  -58219.759     100.541      8236.7682     0.9485  B- -14920#       412#      105 937498.521     107.934
+   0   53   53  106 I     x  -43300#        400#         8089#         4#      B-      *                  105 953516#        429#
+0 31   69   38  107 Sr    x  -28250#        700#         8057#         7#      B-  13720#       860#      106 969672#        751#
+  29   68   39  107 Y     x  -41970#        500#         8178#         5#      B-  12050#       583#      106 954943#        537#
+  27   67   40  107 Zr    x  -54020#        300#         8284#         3#      B-   9704#       300#      106 942007#        322#
+  25   66   41  107 Nb    x  -63723.805       8.023      8367.0898     0.0750  B-   8821.1703    12.2239  106 931589.685       8.612
+  23   65   42  107 Mo    x  -72544.975       9.223      8442.2190     0.0862  B-   6204.9921    12.6599  106 922119.770       9.901
+  21   64   43  107 Tc    x  -78749.967       8.673      8492.8979     0.0811  B-   5112.5985    11.7243  106 915458.437       9.310
+  19   63   44  107 Ru  -nn  -83862.565       8.673      8533.3676     0.0811  B-   3001.1457    14.8473  106 909969.837       9.310
+  17   62   45  107 Rh   +p  -86863.711      12.051      8554.1040     0.1126  B-   1508.9427    12.1108  106 906747.975      12.937
+  15   61   46  107 Pd       -88372.654       1.201      8560.8946     0.0112  B-     34.0458     2.3174  106 905128.058       1.289
+  13   60   47  107 Ag       -88406.700       2.382      8553.9012     0.0223  B-  -1416.3741     2.5654  106 905091.509       2.556
+  11   59   48  107 Cd       -86990.325       1.660      8533.3524     0.0155  B-  -3423.6586     9.5800  106 906612.049       1.782
+   9   58   49  107 In       -83566.667       9.654      8494.0439     0.0902  B-  -5054.4281    11.0175  106 910287.497      10.363
+   7   57   50  107 Sn    x  -78512.239       5.310      8439.4946     0.0496  B-  -7858.9903     6.7377  106 915713.649       5.700
+   5   56   51  107 Sb       -70653.248       4.148      8358.7344     0.0388  B-  -9996#       101#      106 924150.621       4.452
+   3   55   52  107 Te   -a  -60657#        101#         8258#         1#      B- -11227#       316#      106 934882#        108#
+   1   54   53  107 I     x  -49430#        300#         8146#         3#      B-      *                  106 946935#        322#
+0 30   69   39  108 Y     x  -36780#        600#         8129#         6#      B-  14170#       721#      107 960515#        644#
+  28   68   40  108 Zr    x  -50950#        400#         8253#         4#      B-   8595#       400#      107 945303#        429#
+  26   67   41  108 Nb    x  -59545.198       8.239      8325.6604     0.0763  B-  11204.0998    12.3668  107 936075.604       8.844
+  24   66   42  108 Mo    x  -70749.297       9.223      8422.1581     0.0854  B-   5173.5330    12.7262  107 924047.508       9.901
+  22   65   43  108 Tc    x  -75922.831       8.769      8462.8172     0.0812  B-   7738.5736    11.7903  107 918493.493       9.413
+  20   64   44  108 Ru  -3n  -83661.404       8.680      8527.2267     0.0804  B-   1369.7517    16.4699  107 910185.793       9.318
+  18   63   45  108 Rh    x  -85031.156      13.997      8532.6657     0.1296  B-   4493.0596    14.0405  107 908715.304      15.026
+  16   62   46  108 Pd       -89524.215       1.108      8567.0241     0.0103  B-  -1917.4238     2.6323  107 903891.806       1.189
+  14   61   47  108 Ag   -n  -87606.792       2.388      8542.0262     0.0221  B-   1645.6311     2.6386  107 905950.245       2.563
+  12   60   48  108 Cd       -89252.423       1.123      8550.0196     0.0104  B-  -5132.5944     8.5845  107 904183.588       1.205
+  10   59   49  108 In       -84119.828       8.641      8495.2516     0.0800  B-  -2049.8794     9.8365  107 909693.654       9.276
+   8   58   50  108 Sn       -82069.949       5.382      8469.0273     0.0498  B-  -9624.6079     7.6925  107 911894.290       5.778
+   6   57   51  108 Sb    x  -72445.341       5.496      8372.6666     0.0509  B-  -6663.6646     7.7125  107 922226.731       5.900
+   4   56   52  108 Te       -65781.676       5.411      8303.7221     0.0501  B- -13011#       101#      107 929380.469       5.808
+   2   55   53  108 I    -p  -52771#        101#         8176#         1#      B- -10139#       393#      107 943348#        109#
+   0   54   54  108 Xe   -a  -42632.357     379.497      8074.8886     3.5139  B-      *                  107 954232.285     407.406
+0 31   70   39  109 Y     x  -32480#        700#         8089#         6#      B-  13250#       860#      108 965131#        751#
+  29   69   40  109 Zr    x  -45730#        500#         8204#         5#      B-  10960#       660#      108 950907#        537#
+  27   68   41  109 Nb    x  -56689.800     430.816      8297.1307     3.9524  B-   9969.4851   430.9610  108 939141.000     462.500
+  25   67   42  109 Mo    x  -66659.285      11.179      8381.4163     0.1026  B-   7623.5438    14.7805  108 928438.318      12.000
+  23   66   43  109 Tc    x  -74282.828       9.669      8444.1796     0.0887  B-   6455.6267    12.6574  108 920254.107      10.380
+  21   65   44  109 Ru  -4n  -80738.455       8.954      8496.2280     0.0821  B-   4260.7958     9.8229  108 913323.707       9.612
+  19   64   45  109 Rh       -84999.251       4.040      8528.1404     0.0371  B-   2607.2327     4.1874  108 908749.555       4.336
+  17   63   46  109 Pd       -87606.484       1.114      8544.8825     0.0102  B-   1112.9469     1.4024  108 905950.576       1.195
+  15   62   47  109 Ag       -88719.431       1.287      8547.9155     0.0118  B-   -215.1002     1.7795  108 904755.778       1.381
+  13   61   48  109 Cd       -88504.330       1.536      8538.7646     0.0141  B-  -2014.8047     4.0662  108 904986.697       1.649
+  11   60   49  109 In       -86489.526       3.969      8513.1027     0.0364  B-  -3859.3453     8.8866  108 907149.679       4.261
+   9   59   50  109 Sn       -82630.180       7.949      8470.5183     0.0729  B-  -6379.1940     8.8074  108 911292.857       8.533
+   7   58   51  109 Sb       -76250.986       5.265      8404.8161     0.0483  B-  -8535.5871     6.8502  108 918141.203       5.652
+   5   57   52  109 Te       -67715.399       4.382      8319.3305     0.0402  B- -10042.8941     8.0301  108 927304.532       4.704
+   3   56   53  109 I    -p  -57672.505       6.729      8220.0164     0.0617  B- -11502.9589   300.1831  108 938086.022       7.223
+   1   55   54  109 Xe   -a  -46169.546     300.108      8107.3071     2.7533  B-      *                  108 950434.955     322.178
+0 30   70   40  110 Zr    x  -42220#        500#         8171#         5#      B-  10090#       976#      109 954675#        537#
+  28   69   41  110 Nb    x  -52309.914     838.345      8255.2607     7.6213  B-  12225.9002   838.6945  109 943843.000     900.000
+  26   68   42  110 Mo    x  -64535.814      24.219      8359.2930     0.2202  B-   6498.7491    26.0147  109 930717.956      26.000
+  24   67   43  110 Tc    x  -71034.564       9.497      8411.2603     0.0863  B-   9038.0654    12.5086  109 923741.263      10.195
+  22   66   44  110 Ru       -80072.629       8.924      8486.3123     0.0811  B-   2756.0638    19.4044  109 914038.501       9.580
+  20   65   45  110 Rh       -82828.693      17.805      8504.2551     0.1619  B-   5502.2116    17.7967  109 911079.745      19.114
+  18   64   46  110 Pd       -88330.904       0.612      8547.1630     0.0056  B-   -873.5982     1.3777  109 905172.878       0.657
+  16   63   47  110 Ag       -87457.306       1.286      8532.1089     0.0117  B-   2890.6633     1.2771  109 906110.724       1.380
+  14   62   48  110 Cd       -90347.969       0.380      8551.2755     0.0035  B-  -3878.0000    11.5470  109 903007.470       0.407
+  12   61   49  110 In    -  -86469.969      11.553      8508.9087     0.1050  B-   -627.9769    17.9802  109 907170.674      12.402
+  10   60   50  110 Sn    x  -85841.993      13.777      8496.0875     0.1252  B-  -8392.2480    15.0117  109 907844.835      14.790
+   8   59   51  110 Sb    x  -77449.745       5.962      8412.6821     0.0542  B-  -5219.9240     8.8753  109 916854.283       6.400
+   6   58   52  110 Te       -72229.821       6.575      8358.1160     0.0598  B- -11761.9766    62.2875  109 922458.102       7.058
+   4   57   53  110 I    -a  -60467.844      61.940      8244.0767     0.5631  B-  -8545.2075   118.4700  109 935085.102      66.494
+   2   56   54  110 Xe   -a  -51922.636     100.988      8159.2808     0.9181  B-      *                  109 944258.759     108.415
+0 31   71   40  111 Zr    x  -36480#        600#         8118#         5#      B-  12480#       671#      110 960837#        644#
+  29   70   41  111 Nb    x  -48960#        300#         8223#         3#      B-  10980#       300#      110 947439#        322#
+  27   69   42  111 Mo    +  -59939.813      12.578      8315.2932     0.1133  B-   9084.8620     6.7999  110 935651.966      13.503
+  25   68   43  111 Tc    x  -69024.675      10.582      8390.0906     0.0953  B-   7760.6500    13.8477  110 925898.966      11.359
+  23   67   44  111 Ru    x  -76785.325       9.682      8452.9582     0.0872  B-   5518.5456    11.8621  110 917567.566      10.394
+  21   66   45  111 Rh       -82303.871       6.853      8495.6267     0.0617  B-   3682.0153     6.8899  110 911643.164       7.356
+  19   65   46  111 Pd   -n  -85985.886       0.731      8521.7498     0.0066  B-   2229.5607     1.5721  110 907690.358       0.785
+  17   64   47  111 Ag    +  -88215.447       1.459      8534.7878     0.0131  B-   1036.8000     1.4142  110 905296.827       1.565
+  15   63   48  111 Cd       -89252.247       0.357      8537.0801     0.0032  B-   -860.1972     3.4170  110 904183.776       0.383
+  13   62   49  111 In       -88392.050       3.424      8522.2824     0.0308  B-  -2453.4692     6.3368  110 905107.236       3.675
+  11   61   50  111 Sn   +n  -85938.581       5.336      8493.1310     0.0481  B-  -5101.8340    10.3337  110 907741.143       5.728
+   9   60   51  111 Sb    x  -80836.747       8.849      8440.1203     0.0797  B-  -7249.2597    10.9370  110 913218.187       9.500
+   7   59   52  111 Te    x  -73587.487       6.427      8367.7635     0.0579  B-  -8633.6922     7.9943  110 921000.587       6.900
+   5   58   53  111 I        -64953.795       4.754      8282.9343     0.0428  B- -10434#       116#      110 930269.236       5.103
+   3   57   54  111 Xe   -a  -54520#        115#         8182#         1#      B- -11620#       231#      110 941470#        124#
+   1   56   55  111 Cs    x  -42900#        200#         8070#         2#      B-      *                  110 953945#        215#
+0 32   72   40  112 Zr    x  -32420#        700#         8081#         6#      B-  11650#       761#      111 965196#        751#
+  30   71   41  112 Nb    x  -44070#        300#         8178#         3#      B-  13410#       361#      111 952689#        322#
+  28   70   42  112 Mo    x  -57480#        200#         8291#         2#      B-   7779#       200#      111 938293#        215#
+  26   69   43  112 Tc    x  -65258.932       5.515      8353.6217     0.0492  B-  10371.9409    11.0602  111 929941.658       5.920
+  24   68   44  112 Ru    x  -75630.873       9.600      8439.2431     0.0857  B-   4100.1790    45.1185  111 918806.922      10.305
+  22   67   45  112 Rh       -79731.052      44.085      8468.8666     0.3936  B-   6589.9874    43.9269  111 914405.199      47.327
+  20   66   46  112 Pd       -86321.039       6.546      8520.7205     0.0584  B-    262.6897     6.9799  111 907330.557       7.027
+  18   65   47  112 Ag    x  -86583.729       2.422      8516.0807     0.0216  B-   3991.1283     2.4348  111 907048.548       2.600
+  16   64   48  112 Cd       -90574.857       0.250      8544.7306     0.0022  B-  -2584.7306     4.2434  111 902763.896       0.268
+  14   63   49  112 In       -87990.127       4.251      8514.6674     0.0380  B-    664.9224     4.2434  111 905538.718       4.563
+  12   62   50  112 Sn       -88655.049       0.294      8513.6189     0.0026  B-  -7056.0760    17.8317  111 904824.894       0.315
+  10   61   51  112 Sb    x  -81598.973      17.829      8443.6330     0.1592  B-  -4031.4550    19.7019  111 912399.903      19.140
+   8   60   52  112 Te    x  -77567.518       8.383      8400.6527     0.0749  B- -10504.1795    13.2390  111 916727.848       9.000
+   6   59   53  112 I     x  -67063.339      10.246      8299.8801     0.0915  B-  -7036.9910    13.1754  111 928004.548      11.000
+   4   58   54  112 Xe   -a  -60026.348       8.283      8230.0646     0.0740  B- -13612#       116#      111 935559.068       8.891
+   2   57   55  112 Cs   -p  -46415#        116#         8102#         1#      B-      *                  111 950172#        124#
+0 33   73   40  113 Zr    x  -26340#        300#         8027#         3#      B-  13870#       500#      112 971723#        322#
+  31   72   41  113 Nb    x  -40210#        400#         8143#         4#      B-  12440#       500#      112 956833#        429#
+  29   71   42  113 Mo    x  -52650#        300#         8246#         3#      B-  10162#       300#      112 943478#        322#
+  27   70   43  113 Tc    x  -62811.549       3.353      8329.4652     0.0297  B-   9056.2674    38.4285  112 932569.032       3.600
+  25   69   44  113 Ru       -71867.816      38.282      8402.6857     0.3388  B-   6899.1276    38.9406  112 922846.729      41.097
+  23   68   45  113 Rh    x  -78766.944       7.132      8456.8165     0.0631  B-   4823.5559     9.8809  112 915440.212       7.656
+  21   67   46  113 Pd    x  -83590.500       6.947      8492.5795     0.0615  B-   3436.3252    18.0341  112 910261.912       7.458
+  19   66   47  113 Ag    +  -87026.825      16.643      8516.0660     0.1473  B-   2016.4615    16.6410  112 906572.865      17.866
+  17   65   48  113 Cd       -89043.286       0.245      8526.9874     0.0022  B-    323.8370     0.2653  112 904408.105       0.262
+  15   64   49  113 In       -89367.123       0.188      8522.9297     0.0017  B-  -1038.9941     1.5733  112 904060.451       0.202
+  13   63   50  113 Sn       -88328.129       1.575      8506.8117     0.0139  B-  -3911.1637    17.1206  112 905175.857       1.690
+  11   62   51  113 Sb    -  -84416.966      17.193      8465.2762     0.1521  B-  -6069.9281    32.8102  112 909374.664      18.457
+   9   61   52  113 Te    x  -78347.037      27.945      8404.6366     0.2473  B-  -7227.5210    29.0704  112 915891.000      30.000
+   7   60   53  113 I     x  -71119.517       8.011      8333.7528     0.0709  B-  -8915.8902    10.5334  112 923650.062       8.600
+   5   59   54  113 Xe       -62203.626       6.840      8247.9277     0.0605  B- -10439.0876    10.9702  112 933221.663       7.342
+   3   58   55  113 Cs   -p  -51764.539       8.577      8148.6230     0.0759  B- -12055#       300#      112 944428.484       9.207
+   1   57   56  113 Ba    x  -39710#        300#         8035#         3#      B-      *                  112 957370#        322#
+0 32   73   41  114 Nb    x  -34960#        500#         8097#         4#      B-  14720#       583#      113 962469#        537#
+  30   72   42  114 Mo    x  -49680#        300#         8219#         3#      B-   8920#       527#      113 946666#        322#
+  28   71   43  114 Tc    x  -58600.294     433.145      8290.2599     3.7995  B-  11620.9190   433.1594  113 937090.000     465.000
+  26   70   44  114 Ru    x  -70221.213       3.556      8385.3351     0.0312  B-   5489.0622    71.6432  113 924614.430       3.817
+  24   69   45  114 Rh       -75710.275      71.561      8426.6221     0.6277  B-   7780.0712    71.8915  113 918721.680      76.824
+  22   68   46  114 Pd    x  -83490.346       6.948      8488.0056     0.0610  B-   1440.4642     8.3133  113 910369.430       7.459
+  20   67   47  114 Ag    x  -84930.811       4.564      8493.7786     0.0400  B-   5084.1233     4.5727  113 908823.029       4.900
+  18   66   48  114 Cd       -90014.934       0.276      8531.5135     0.0024  B-  -1445.1268     0.3817  113 903364.998       0.296
+  16   65   49  114 In       -88569.807       0.301      8511.9742     0.0027  B-   1989.9281     0.3018  113 904916.405       0.323
+  14   64   50  114 Sn       -90559.735       0.029      8522.5671     0.0004  B-  -6063.1189    19.7724  113 902780.130       0.031
+  12   63   51  114 Sb       -84496.616      19.772      8462.5191     0.1734  B-  -2606.9398    31.4275  113 909289.155      21.226
+  10   62   52  114 Te    x  -81889.676      24.428      8432.7885     0.2143  B-  -9250.7417    31.5883  113 912087.820      26.224
+   8   61   53  114 I     x  -72638.935      20.027      8344.7790     0.1757  B-  -5553.0360    22.9354  113 922018.900      21.500
+   6   60   54  114 Xe    x  -67085.899      11.178      8289.2054     0.0981  B- -12399.9706    85.7989  113 927980.329      12.000
+   4   59   55  114 Cs   -a  -54685.928      85.068      8173.5711     0.7462  B-  -8780.4915   133.3375  113 941292.244      91.323
+   2   58   56  114 Ba   -a  -45905.437     102.676      8089.6865     0.9007  B-      *                  113 950718.489     110.227
+0 33   74   41  115 Nb    x  -30880#        500#         8061#         4#      B-  13670#       640#      114 966849#        537#
+  31   73   42  115 Mo    x  -44550#        400#         8173#         3#      B-  11247#       445#      114 952174#        429#
+  29   72   43  115 Tc    x  -55796#        196#         8264#         2#      B-  10309#       197#      114 940100#        210#
+  27   71   44  115 Ru    x  -66105.296      25.166      8346.8140     0.2188  B-   8123.9327    26.1788  114 929033.049      27.016
+  25   70   45  115 Rh    x  -74229.228       7.319      8410.6538     0.0636  B-   6196.5938    15.3503  114 920311.649       7.857
+  23   69   46  115 Pd       -80425.822      13.547      8457.7342     0.1178  B-   4556.7647    21.6496  114 913659.333      14.543
+  21   68   47  115 Ag       -84982.587      18.268      8490.5553     0.1589  B-   3101.8930    18.2744  114 908767.445      19.611
+  19   67   48  115 Cd       -88084.480       0.651      8510.7252     0.0057  B-   1451.8768     0.6514  114 905437.426       0.699
+  17   66   49  115 In       -89536.357       0.012      8516.5472     0.0003  B-    497.4892     0.0097  114 903878.772       0.012
+  15   65   50  115 Sn       -90033.846       0.015      8514.0702     0.0003  B-  -3030.4336    16.0253  114 903344.695       0.016
+  13   64   51  115 Sb    x  -87003.412      16.025      8480.9156     0.1394  B-  -4940.6447    32.2137  114 906598.000      17.203
+  11   63   52  115 Te    x  -82062.767      27.945      8431.1504     0.2430  B-  -5724.9628    40.1840  114 911902.000      30.000
+   9   62   53  115 I     x  -76337.805      28.876      8374.5651     0.2511  B-  -7681.0475    31.3126  114 918048.000      31.000
+   7   61   54  115 Xe    x  -68656.757      12.109      8300.9704     0.1053  B-  -8957#       103#      114 926293.943      13.000
+   5   60   55  115 Cs    x  -59699#        102#         8216#         1#      B- -10779#       225#      114 935910#        110#
+   3   59   56  115 Ba    x  -48920#        200#         8116#         2#      B-      *                  114 947482#        215#
+0 34   75   41  116 Nb    x  -25230#        300#         8012#         3#      B-  15980#       583#      115 972914#        322#
+  32   74   42  116 Mo    x  -41210#        500#         8143#         4#      B-  10003#       582#      115 955759#        537#
+  30   73   43  116 Tc    x  -51214#        298#         8223#         3#      B-  12855#       298#      115 945020#        320#
+  28   72   44  116 Ru    x  -64068.917       3.726      8326.8840     0.0321  B-   6666.8252    73.9257  115 931219.191       4.000
+  26   71   45  116 Rh       -70735.742      73.832      8377.6123     0.6365  B-   9095.2839    74.1690  115 924062.060      79.261
+  24   70   46  116 Pd    x  -79831.026       7.135      8449.2755     0.0615  B-   2711.6378     7.8446  115 914297.872       7.659
+  22   69   47  116 Ag    x  -82542.664       3.260      8465.9073     0.0281  B-   6169.8248     3.2642  115 911386.809       3.500
+  20   68   48  116 Cd       -88712.489       0.160      8512.3511     0.0014  B-   -462.7305     0.2720  115 904763.230       0.172
+  18   67   49  116 In   -n  -88249.758       0.220      8501.6177     0.0019  B-   3276.2204     0.2397  115 905259.992       0.236
+  16   66   50  116 Sn       -91525.979       0.096      8523.1166     0.0009  B-  -4703.9591     5.1540  115 901742.825       0.103
+  14   65   51  116 Sb       -86822.020       5.154      8475.8208     0.0444  B-  -1558.2272    24.7485  115 906792.732       5.533
+  12   64   52  116 Te       -85263.793      24.206      8455.6435     0.2087  B-  -7843.1388    75.3230  115 908465.558      25.986
+  10   63   53  116 I        -77420.654      75.037      8381.2858     0.6469  B-  -4373.7764    75.8444  115 916885.513      80.555
+   8   62   54  116 Xe       -73046.877      13.017      8336.8365     0.1122  B- -11004#       101#      115 921580.955      13.974
+   6   61   55  116 Cs   ea  -62043#        100#         8235#         1#      B-  -7663#       224#      115 933395#        108#
+   4   60   56  116 Ba    x  -54380#        200#         8162#         2#      B- -14330#       379#      115 941621#        215#
+   2   59   57  116 La   -a  -40050#        321#         8032#         3#      B-      *                  115 957005#        345#
+0 33   75   42  117 Mo    x  -35689#        500#         8096#         4#      B-  12450#       640#      116 961686#        537#
+  31   74   43  117 Tc    x  -48140#        400#         8195#         3#      B-  11350#       589#      116 948320#        429#
+  29   73   44  117 Ru    x  -59489.871     433.145      8285.5625     3.7021  B-   9406.8875   433.2361  116 936135.000     465.000
+  27   72   45  117 Rh    x  -68896.758       8.895      8359.2766     0.0760  B-   7527.1313    11.4108  116 926036.291       9.548
+  25   71   46  117 Pd       -76423.890       7.255      8416.9243     0.0620  B-   5758.0284    14.7674  116 917955.584       7.788
+  23   70   47  117 Ag       -82181.918      13.572      8459.4515     0.1160  B-   4236.4790    13.6099  116 911774.086      14.570
+  21   69   48  117 Cd   -n  -86418.397       1.013      8488.9740     0.0087  B-   2524.6381     4.9829  116 907226.039       1.087
+  19   68   49  117 In       -88943.035       4.881      8503.8653     0.0417  B-   1454.7073     4.8567  116 904515.729       5.239
+  17   67   50  117 Sn       -90397.742       0.483      8509.6120     0.0041  B-  -1758.1788     8.4449  116 902954.036       0.518
+  15   66   51  117 Sb       -88639.564       8.437      8487.8981     0.0721  B-  -3544.0634    13.0785  116 904841.519       9.057
+  13   65   52  117 Te       -85095.500      13.455      8450.9203     0.1150  B-  -4656.9321    28.1284  116 908646.227      14.444
+  11   64   53  117 I        -80438.568      25.558      8404.4307     0.2184  B-  -6253.2213    27.5845  116 913645.649      27.437
+   9   63   54  117 Xe    x  -74185.347      10.378      8344.2976     0.0887  B-  -7692.2462    63.2672  116 920358.758      11.141
+   7   62   55  117 Cs    x  -66493.101      62.410      8271.8652     0.5334  B-  -9035.1943   258.0009  116 928616.723      67.000
+   5   61   56  117 Ba   ep  -57457.906     250.339      8187.9546     2.1396  B- -11187#       321#      116 938316.403     268.749
+   3   60   57  117 La   -p  -46271#        200#         8086#         2#      B-      *                  116 950326#        215#
+0 34   76   42  118 Mo    x  -32370#        500#         8067#         4#      B-  10920#       640#      117 965249#        537#
+  32   75   43  118 Tc    x  -43290#        400#         8153#         3#      B-  13710#       447#      117 953526#        429#
+  30   74   44  118 Ru    x  -57000#        200#         8263#         2#      B-   7887#       202#      117 938808#        215#
+  28   73   45  118 Rh    x  -64886.840      24.236      8322.8539     0.2054  B-  10501.5182    24.3424  117 930341.116      26.018
+  26   72   46  118 Pd       -75388.358       2.494      8405.2197     0.0211  B-   4165.4444     3.5419  117 919067.273       2.677
+  24   71   47  118 Ag    x  -79553.802       2.515      8433.8900     0.0213  B-   7147.8469    20.1582  117 914595.484       2.700
+  22   70   48  118 Cd  -nn  -86701.649      20.001      8487.8350     0.1695  B-    526.5277    21.4501  117 906921.956      21.471
+  20   69   49  118 In       -87228.177       7.752      8485.6670     0.0657  B-   4424.6664     7.7396  117 906356.705       8.322
+  18   68   50  118 Sn       -91652.843       0.499      8516.5341     0.0042  B-  -3656.6393     2.9745  117 901606.630       0.536
+  16   67   51  118 Sb    -  -87996.204       3.016      8478.9156     0.0256  B-   -305.4459    18.5521  117 905532.194       3.237
+  14   66   52  118 Te  +nn  -87690.758      18.306      8469.6970     0.1551  B-  -6719.7015    26.9364  117 905860.104      19.652
+  12   65   53  118 I     x  -80971.056      19.760      8406.1203     0.1675  B-  -2891.9893    22.3197  117 913074.000      21.213
+  10   64   54  118 Xe    x  -78079.067      10.378      8374.9819     0.0880  B-  -9669.6905    16.4423  117 916178.678      11.141
+   8   63   55  118 Cs   IT  -68409.377      12.753      8286.4053     0.1081  B-  -6210#       201#      117 926559.517      13.690
+   6   62   56  118 Ba    x  -62200#        200#         8227#         2#      B- -12580#       361#      117 933226#        215#
+   4   61   57  118 La    x  -49620#        300#         8114#         3#      B-      *                  117 946731#        322#
+0 35   77   42  119 Mo    x  -26580#        300#         8019#         3#      B-  13590#       583#      118 971465#        322#
+  33   76   43  119 Tc    x  -40170#        500#         8126#         4#      B-  11910#       583#      118 956876#        537#
+  31   75   44  119 Ru    x  -52080#        300#         8220#         3#      B-  10743#       300#      118 944090#        322#
+  29   74   45  119 Rh    x  -62822.802       9.315      8303.3953     0.0783  B-   8584.4751    12.4416  118 932556.951      10.000
+  27   73   46  119 Pd    x  -71407.277       8.248      8368.9594     0.0693  B-   7238.4816    16.8566  118 923341.138       8.854
+  25   72   47  119 Ag       -78645.759      14.703      8423.2126     0.1236  B-   5331.1799    35.9259  118 915570.309      15.783
+  23   71   48  119 Cd       -83976.939      37.695      8461.4381     0.3168  B-   3721.7197    38.0880  118 909847.052      40.467
+  21   70   49  119 In       -87698.658       7.310      8486.1387     0.0614  B-   2366.3263     7.3381  118 905851.622       7.847
+  19   69   50  119 Sn       -90064.985       0.725      8499.4494     0.0061  B-   -589.4452     6.9937  118 903311.266       0.778
+  17   68   51  119 Sb       -89475.539       6.998      8487.9218     0.0588  B-  -2293.0000     2.0000  118 903944.062       7.512
+  15   67   52  119 Te    -  -87182.539       7.278      8462.0785     0.0612  B-  -3404.8080    22.8941  118 906405.699       7.813
+  13   66   53  119 I     x  -83777.731      21.706      8426.8924     0.1824  B-  -4983.2433    24.0598  118 910060.910      23.302
+  11   65   54  119 Xe       -78794.488      10.378      8378.4420     0.0872  B-  -6489.4269    17.3790  118 915410.641      11.141
+   9   64   55  119 Cs   IT  -72305.061      13.940      8317.3347     0.1171  B-  -7714.9651   200.7537  118 922377.327      14.965
+   7   63   56  119 Ba   ep  -64590.096     200.269      8245.9287     1.6829  B-  -9570#       361#      118 930659.683     214.997
+   5   62   57  119 La    x  -55020#        300#         8159#         3#      B- -11199#       583#      118 940934#        322#
+   3   61   58  119 Ce    x  -43820#        500#         8058#         4#      B-      *                  118 952957#        537#
+0 34   77   43  120 Tc    x  -35000#        500#         8083#         4#      B-  14720#       640#      119 962426#        537#
+  32   76   44  120 Ru    x  -49720#        400#         8199#         3#      B-   8899#       447#      119 946623#        429#
+  30   75   45  120 Rh    x  -58620#        200#         8266#         2#      B-  11660#       200#      119 937069#        215#
+  28   74   46  120 Pd       -70279.604       2.296      8357.0817     0.0191  B-   5371.9076     5.0261  119 924551.745       2.464
+  26   73   47  120 Ag    x  -75651.512       4.471      8395.3281     0.0373  B-   8305.8535     5.8202  119 918784.765       4.800
+  24   72   48  120 Cd    x  -83957.365       3.726      8458.0240     0.0311  B-   1770.3754    40.1837  119 909868.065       4.000
+  22   71   49  120 In    +  -85727.741      40.011      8466.2575     0.3334  B-   5370.0000    40.0000  119 907967.489      42.953
+  20   70   50  120 Sn       -91097.741       0.920      8504.4880     0.0077  B-  -2680.6076     7.1399  119 902202.557       0.987
+  18   69   51  120 Sb    -  -88417.133       7.199      8475.6300     0.0600  B-    945.0271     7.3530  119 905080.308       7.728
+  16   68   52  120 Te       -89362.160       1.751      8476.9857     0.0146  B-  -5615.0000    15.0000  119 904065.779       1.880
+  14   67   53  120 I     -  -83747.160      15.102      8423.6745     0.1258  B-  -1574.7260    19.1760  119 910093.729      16.212
+  12   66   54  120 Xe    x  -82172.434      11.817      8404.0322     0.0985  B-  -8283.7857    15.4611  119 911784.267      12.686
+  10   65   55  120 Cs   IT  -73888.649       9.970      8328.4811     0.0831  B-  -5000.0000   300.0000  119 920677.277      10.702
+   8   64   56  120 Ba    -  -68888.649     300.166      8280.2949     2.5014  B- -11319#       424#      119 926044.997     322.241
+   6   63   57  120 La    x  -57570#        300#         8179#         2#      B-  -7840#       583#      119 938196#        322#
+   4   62   58  120 Ce    x  -49730#        500#         8108#         4#      B-      *                  119 946613#        537#
+0 35   78   43  121 Tc    x  -31540#        500#         8054#         4#      B-  13080#       640#      120 966140#        537#
+  33   77   44  121 Ru    x  -44620#        400#         8156#         3#      B-  11630#       737#      120 952098#        429#
+  31   76   45  121 Rh    x  -56250.134     619.444      8245.2397     5.1194  B-   9932.2030   619.4527  120 939613.000     665.000
+  29   75   46  121 Pd    x  -66182.337       3.353      8320.8584     0.0277  B-   8220.4934    12.5652  120 928950.342       3.600
+  27   74   47  121 Ag    x  -74402.831      12.109      8382.3306     0.1001  B-   6671.0057    12.2642  120 920125.279      13.000
+  25   73   48  121 Cd    x  -81073.837       1.942      8430.9972     0.0161  B-   4760.7564    27.4876  120 912963.660       2.085
+  23   72   49  121 In   +p  -85834.593      27.419      8463.8767     0.2266  B-   3362.0331    27.4098  120 907852.778      29.435
+  21   71   50  121 Sn       -89196.626       0.978      8485.1964     0.0081  B-    402.5306     2.5239  120 904243.488       1.050
+  19   70   51  121 Sb       -89599.157       2.506      8482.0574     0.0207  B-  -1056.0462    25.7587  120 903811.353       2.690
+  17   69   52  121 Te       -88543.111      25.835      8466.8641     0.2135  B-  -2297.4615    25.9856  120 904945.065      27.734
+  15   68   53  121 I        -86245.649       4.723      8441.4111     0.0390  B-  -3764.6525    11.2790  120 907411.492       5.070
+  13   67   54  121 Xe       -82480.997      10.243      8403.8326     0.0847  B-  -5378.6549    13.9791  120 911453.012      10.995
+  11   66   55  121 Cs       -77102.342      14.290      8352.9152     0.1181  B-  -6357.4948   141.1765  120 917227.235      15.340
+   9   65   56  121 Ba    -  -70744.847     141.898      8293.9083     1.1727  B-  -8555#       332#      120 924052.286     152.333
+   7   64   57  121 La    x  -62190#        300#         8217#         2#      B-  -9500#       500#      120 933236#        322#
+   5   63   58  121 Ce    x  -52690#        401#         8132#         3#      B- -11139#       641#      120 943435#        430#
+   3   62   59  121 Pr   -p  -41551#        500#         8033#         4#      B-      *                  120 955393#        537#
+0 36   79   43  122 Tc    x  -26305#        300#         8011#         2#      B-  15475#       583#      121 971760#        322#
+  34   78   44  122 Ru    x  -41780#        500#         8132#         4#      B-  10099#       583#      121 955147#        537#
+  32   77   45  122 Rh    x  -51880#        300#         8208#         2#      B-  12737#       301#      121 944305#        322#
+  30   76   46  122 Pd    x  -64616.169      19.561      8305.9755     0.1603  B-   6489.9492    42.9094  121 930631.693      21.000
+  28   75   47  122 Ag    x  -71106.118      38.191      8352.7591     0.3130  B-   9506.2662    38.2604  121 923664.446      41.000
+  26   74   48  122 Cd       -80612.384       2.299      8424.2667     0.0188  B-   2958.9765    50.1126  121 913459.050       2.468
+  24   73   49  122 In    +  -83571.361      50.060      8442.1079     0.4103  B-   6368.5921    50.0000  121 910282.458      53.741
+  22   72   50  122 Sn       -89939.953       2.448      8487.8968     0.0201  B-  -1605.7483     3.2135  121 903445.494       2.627
+  20   71   51  122 Sb       -88334.205       2.503      8468.3222     0.0205  B-   1979.0772     2.1265  121 905169.335       2.687
+  18   70   52  122 Te       -90313.282       1.357      8478.1315     0.0111  B-  -4234.0000     5.0000  121 903044.708       1.456
+  16   69   53  122 I     -  -86079.282       5.181      8437.0139     0.0425  B-   -724.2937    12.2596  121 907590.094       5.561
+  14   68   54  122 Xe    x  -85354.988      11.111      8424.6644     0.0911  B-  -7210.2195    35.4720  121 908367.655      11.928
+  12   67   55  122 Cs       -78144.769      33.687      8359.1515     0.2761  B-  -3535.8170    43.7690  121 916108.144      36.164
+  10   66   56  122 Ba    x  -74608.952      27.945      8323.7567     0.2291  B- -10066#       299#      121 919904.000      30.000
+   8   65   57  122 La    x  -64543#        298#         8235#         2#      B-  -6669#       499#      121 930710#        320#
+   6   64   58  122 Ce    x  -57874#        401#         8174#         3#      B- -13094#       641#      121 937870#        430#
+   4   63   59  122 Pr    x  -44780#        500#         8060#         4#      B-      *                  121 951927#        537#
+0 35   79   44  123 Ru    x  -36550#        500#         8089#         4#      B-  12640#       640#      122 960762#        537#
+  33   78   45  123 Rh    x  -49190#        400#         8185#         3#      B-  11239#       885#      122 947192#        429#
+  31   77   46  123 Pd    x  -60429.748     789.441      8270.0318     6.4182  B-   9138.8323   790.1142  122 935126.000     847.500
+  29   76   47  123 Ag    x  -69568.581      32.602      8337.9707     0.2651  B-   7845.6026    32.7136  122 925315.060      35.000
+  27   75   48  123 Cd       -77414.183       2.696      8395.3955     0.0219  B-   6014.8503    19.8980  122 916892.460       2.894
+  25   74   49  123 In       -83429.034      19.832      8437.9362     0.1612  B-   4385.6489    19.8392  122 910435.252      21.290
+  23   73   50  123 Sn       -87814.683       2.479      8467.2313     0.0202  B-   1408.2079     2.4203  122 905727.065       2.661
+  21   72   51  123 Sb       -89222.890       1.356      8472.3196     0.0110  B-    -51.9128     0.0661  122 904215.292       1.456
+  19   71   52  123 Te       -89170.978       1.355      8465.5370     0.0110  B-  -1228.3898     3.4448  122 904271.022       1.454
+  17   70   53  123 I        -87942.588       3.686      8449.1896     0.0300  B-  -2694.3302     9.6829  122 905589.753       3.956
+  15   69   54  123 Xe       -85248.258       9.534      8420.9239     0.0775  B-  -4204.6012    15.4121  122 908482.235      10.234
+  13   68   55  123 Cs    x  -81043.657      12.109      8380.3796     0.0985  B-  -5388.6934    17.1253  122 912996.060      13.000
+  11   67   56  123 Ba    x  -75654.963      12.109      8330.2086     0.0985  B-  -7004#       196#      122 918781.060      13.000
+   9   66   57  123 La    x  -68651#        196#         8267#         2#      B-  -8365#       357#      122 926300#        210#
+   7   65   58  123 Ce    x  -60286#        298#         8193#         2#      B- -10056#       499#      122 935280#        320#
+   5   64   59  123 Pr    x  -50230#        400#         8104#         3#      B-      *                  122 946076#        429#
+0 36   80   44  124 Ru    x  -33590#        600#         8065#         5#      B-  11120#       721#      123 963940#        644#
+  34   79   45  124 Rh    x  -44710#        400#         8148#         3#      B-  13690#       500#      123 952002#        429#
+  32   78   46  124 Pd    x  -58400#        300#         8252#         2#      B-   7830#       391#      123 937305#        322#
+  30   77   47  124 Ag    x  -66229.951     251.503      8308.8958     2.0283  B-  10469.4858   251.5169  123 928899.227     270.000
+  28   76   48  124 Cd       -76699.436       2.609      8387.0179     0.0210  B-   4168.3420    30.5355  123 917659.772       2.800
+  26   75   49  124 In       -80867.778      30.561      8414.3243     0.2465  B-   7363.6970    30.5668  123 913184.873      32.808
+  24   74   50  124 Sn       -88231.475       1.314      8467.3997     0.0106  B-   -612.4067     0.4101  123 905279.619       1.410
+  22   73   51  124 Sb   -n  -87619.069       1.358      8456.1517     0.0110  B-   2905.0730     0.1317  123 905937.065       1.457
+  20   72   52  124 Te       -90524.142       1.352      8473.2705     0.0109  B-  -3159.5870     1.8593  123 902818.341       1.451
+  18   71   53  124 I     -  -87364.555       2.299      8441.4807     0.0185  B-    302.8501     1.8639  123 906210.297       2.467
+  16   70   54  124 Xe       -87667.405       1.358      8437.6138     0.0110  B-  -5926.3445     9.2512  123 905885.174       1.457
+  14   69   55  124 Cs    x  -81741.060       9.151      8383.5114     0.0738  B-  -2651.2748    15.4894  123 912247.366       9.823
+  12   68   56  124 Ba    x  -79089.786      12.497      8355.8209     0.1008  B-  -8831.1685    58.0305  123 915093.627      13.416
+  10   67   57  124 La    x  -70258.617      56.669      8278.2926     0.4570  B-  -5343#       303#      123 924574.275      60.836
+   8   66   58  124 Ce    x  -64916#        298#         8229#         2#      B- -11765#       499#      123 930310#        320#
+   6   65   59  124 Pr    x  -53151#        401#         8128#         3#      B-  -8321#       641#      123 942940#        430#
+   4   64   60  124 Nd    x  -44830#        500#         8054#         4#      B-      *                  123 951873#        537#
+0 37   81   44  125 Ru    x  -28370#        300#         8023#         2#      B-  13460#       583#      124 969544#        322#
+  35   80   45  125 Rh    x  -41830#        500#         8124#         4#      B-  12130#       640#      124 955094#        537#
+  33   79   46  125 Pd    x  -53960#        400#         8215#         3#      B-  10560#       589#      124 942072#        429#
+  31   78   47  125 Ag    x  -64519.939     433.145      8293.3151     3.4652  B-   8828.1511   433.1544  124 930735.000     465.000
+  29   77   48  125 Cd    x  -73348.090       2.888      8357.6815     0.0231  B-   7064.2177     3.3869  124 921257.590       3.100
+  27   76   49  125 In    x  -80412.308       1.770      8407.9365     0.0142  B-   5481.3495     2.2131  124 913673.841       1.900
+  25   75   50  125 Sn   -n  -85893.657       1.329      8445.5285     0.0106  B-   2361.4366     2.1661  124 907789.370       1.426
+  23   74   51  125 Sb    +  -88255.094       2.515      8458.1612     0.0201  B-    766.7000     2.1213  124 905254.264       2.700
+  21   73   52  125 Te       -89021.794       1.352      8458.0361     0.0108  B-   -185.7700     0.0600  124 904431.178       1.451
+  19   72   53  125 I     -  -88836.024       1.353      8450.2911     0.0108  B-  -1636.6632     0.4259  124 904630.610       1.452
+  17   71   54  125 Xe       -87199.361       1.415      8430.9390     0.0113  B-  -3109.6184     7.7879  124 906387.640       1.518
+  15   70   55  125 Cs       -84089.742       7.736      8399.8033     0.0619  B-  -4420.7663    13.4415  124 909725.953       8.304
+  13   69   56  125 Ba       -79668.976      10.992      8358.1784     0.0879  B-  -5909.4836    27.6308  124 914471.840      11.800
+  11   68   57  125 La       -73759.492      25.997      8304.6438     0.2080  B-  -7102#       197#      124 920815.931      27.909
+   9   67   58  125 Ce    x  -66658#        196#         8242#         2#      B-  -8587#       358#      124 928440#        210#
+   7   66   59  125 Pr    x  -58070#        300#         8167#         2#      B- -10001#       500#      124 937659#        322#
+   5   65   60  125 Nd    x  -48070#        400#         8080#         3#      B-      *                  124 948395#        429#
+0 36   81   45  126 Rh    x  -37200#        500#         8087#         4#      B-  14590#       640#      125 960064#        537#
+  34   80   46  126 Pd    x  -51790#        400#         8197#         3#      B-   8930#       447#      125 944401#        429#
+  32   79   47  126 Ag    x  -60720#        200#         8261#         2#      B-  11535#       200#      125 934814#        215#
+  30   78   48  126 Cd       -72255.727       2.304      8346.7393     0.0183  B-   5553.6500     4.7831  125 922430.290       2.473
+  28   77   49  126 In    x  -77809.377       4.192      8384.6067     0.0333  B-   8205.7585    11.4802  125 916468.202       4.500
+  26   76   50  126 Sn  -nn  -86015.135      10.688      8443.5227     0.0848  B-    378.0000    30.0000  125 907658.958      11.473
+  24   75   51  126 Sb    -  -86393.135      31.847      8440.3136     0.2528  B-   3671.0321    31.8223  125 907253.158      34.189
+  22   74   52  126 Te       -90064.168       1.354      8463.2397     0.0107  B-  -2153.6712     3.6717  125 903312.144       1.453
+  20   73   53  126 I        -87910.496       3.778      8439.9379     0.0300  B-   1235.8904     3.7779  125 905624.205       4.055
+  18   72   54  126 Xe       -89146.38687     0.00562    8443.5375     0.0003  B-  -4795.7039    10.3587  125 904297.422       0.006
+  16   71   55  126 Cs       -84350.683      10.359      8399.2673     0.0822  B-  -1680.7697    16.2322  125 909445.821      11.120
+  14   70   56  126 Ba    x  -82669.913      12.497      8379.7187     0.0992  B-  -7696.4376    91.3663  125 911250.202      13.416
+  12   69   57  126 La    x  -74973.476      90.508      8312.4268     0.7183  B-  -4152.9106    94.7235  125 919512.667      97.163
+  10   68   58  126 Ce    x  -70820.565      27.945      8273.2581     0.2218  B- -10497#       198#      125 923971.000      30.000
+   8   67   59  126 Pr    x  -60324#        196#         8184#         2#      B-  -6943#       358#      125 935240#        210#
+   6   66   60  126 Nd    x  -53380#        300#         8122#         2#      B- -13631#       583#      125 942694#        322#
+   4   65   61  126 Pm    x  -39750#        500#         8008#         4#      B-      *                  125 957327#        537#
+0 37   82   45  127 Rh    x  -33730#        600#         8060#         5#      B-  13490#       781#      126 963789#        644#
+  35   81   46  127 Pd    x  -47220#        500#         8160#         4#      B-  11429#       539#      126 949307#        537#
+  33   80   47  127 Ag    x  -58650#        200#         8244#         2#      B-  10092#       200#      126 937037#        215#
+  31   79   48  127 Cd    x  -68741.199       6.200      8316.8971     0.0488  B-   8138.6978    11.7675  126 926203.291       6.656
+  29   78   49  127 In       -76879.897      10.001      8374.8212     0.0788  B-   6589.6810    12.0260  126 917466.040      10.736
+  27   77   50  127 Sn       -83469.578       9.226      8420.5482     0.0726  B-   3228.7160    10.1668  126 910391.726       9.904
+  25   76   51  127 Sb       -86698.294       5.083      8439.8110     0.0400  B-   1582.2030     4.9102  126 906925.557       5.457
+  23   75   52  127 Te       -88280.497       1.365      8446.1090     0.0108  B-    702.7199     3.5652  126 905226.993       1.465
+  21   74   53  127 I        -88983.217       3.621      8445.4820     0.0285  B-   -662.3336     2.0442  126 904472.592       3.887
+  19   73   54  127 Xe       -88320.883       4.088      8434.1066     0.0322  B-  -2080.8562     6.4115  126 905183.636       4.388
+  17   72   55  127 Cs       -86240.027       5.578      8411.5617     0.0439  B-  -3422.0719    12.6525  126 907417.527       5.987
+  15   71   56  127 Ba       -82817.955      11.357      8378.4560     0.0894  B-  -4921.8386    27.7403  126 911091.272      12.192
+  13   70   57  127 La       -77896.116      26.000      8333.5412     0.2047  B-  -5916.7727    38.8567  126 916375.083      27.912
+  11   69   58  127 Ce    x  -71979.344      28.876      8280.7922     0.2274  B-  -7436#       198#      126 922727.000      31.000
+   9   68   59  127 Pr    x  -64543#        196#         8216#         2#      B-  -8633#       358#      126 930710#        210#
+   7   67   60  127 Nd    x  -55910#        300#         8142#         2#      B- -10600#       500#      126 939978#        322#
+   5   66   61  127 Pm    x  -45310#        400#         8052#         3#      B-      *                  126 951358#        429#
+0 38   83   45  128 Rh    x  -27340#        300#         8010#         2#      B-  17050#       583#      127 970649#        322#
+  36   82   46  128 Pd    x  -44390#        500#         8137#         4#      B-  10320#       583#      127 952345#        537#
+  34   81   47  128 Ag    x  -54710#        300#         8211#         2#      B-  12528#       300#      127 941266#        322#
+  32   80   48  128 Cd       -67238.245       6.432      8303.2367     0.0503  B-   6951.8716     6.5665  127 927816.778       6.905
+  30   79   49  128 In    x  -74190.117       1.322      8351.4361     0.0103  B-   9171.3131    17.7194  127 920353.637       1.419
+  28   78   50  128 Sn       -83361.430      17.682      8416.9749     0.1381  B-   1268.4219    13.3175  127 910507.828      18.982
+  26   77   51  128 Sb   IT  -84629.852      18.788      8420.7724     0.1468  B-   4363.9419    18.7862  127 909146.121      20.169
+  24   76   52  128 Te       -88993.794       0.706      8448.7536     0.0055  B-  -1255.7634     3.6807  127 904461.237       0.758
+  22   75   53  128 I        -87738.030       3.621      8432.8309     0.0283  B-   2122.5041     3.6211  127 905809.355       3.887
+  20   74   54  128 Xe       -89860.53427     0.00520    8443.3008     0.0003  B-  -3928.7617     5.3762  127 903530.75341     0.00558
+  18   73   55  128 Cs       -85931.773       5.376      8406.4953     0.0420  B-   -562.6171     5.6122  127 907748.452       5.771
+  16   72   56  128 Ba       -85369.156       1.610      8395.9878     0.0126  B-  -6743.7167    54.4716  127 908352.446       1.728
+  14   71   57  128 La    x  -78625.439      54.448      8337.1904     0.4254  B-  -3091.5136    61.2003  127 915592.123      58.452
+  12   70   58  128 Ce    x  -75533.925      27.945      8306.9259     0.2183  B-  -9203.1617    40.8585  127 918911.000      30.000
+  10   69   59  128 Pr    x  -66330.764      29.808      8228.9141     0.2329  B-  -5800#       202#      127 928791.000      32.000
+   8   68   60  128 Nd    x  -60530#        200#         8177#         2#      B- -12311#       361#      127 935018#        215#
+   6   67   61  128 Pm    x  -48220#        300#         8075#         2#      B-  -9070#       583#      127 948234#        322#
+   4   66   62  128 Sm    x  -39150#        500#         7998#         4#      B-      *                  127 957971#        537#
+0 37   83   46  129 Pd    x  -37880#        600#         8086#         5#      B-  13990#       721#      128 959334#        644#
+  35   82   47  129 Ag    x  -51870#        400#         8188#         3#      B-  11252#       400#      128 944315#        429#
+  33   81   48  129 Cd    x  -63122.142       5.310      8269.5311     0.0412  B-   9712.7471     5.6637  128 932235.597       5.700
+  31   80   49  129 In       -72834.889       1.971      8338.7590     0.0153  B-   7755.7081    17.2376  128 921808.534       2.116
+  29   79   50  129 Sn       -80590.597      17.270      8392.8161     0.1339  B-   4038.7874    27.3634  128 913482.440      18.540
+  27   78   51  129 Sb    +  -84629.384      21.225      8418.0598     0.1645  B-   2375.5000    21.2132  128 909146.623      22.786
+  25   77   52  129 Te       -87004.884       0.711      8430.4098     0.0055  B-   1502.2919     3.1358  128 906596.419       0.763
+  23   76   53  129 I        -88507.176       3.153      8435.9908     0.0244  B-    188.8936     3.1534  128 904983.643       3.385
+  21   75   54  129 Xe       -88696.06975     0.00505    8431.3904     0.0003  B-  -1197.0197     4.5532  128 904780.85742     0.00542
+  19   74   55  129 Cs       -87499.050       4.553      8416.0465     0.0353  B-  -2438.1843    10.5627  128 906065.910       4.888
+  17   73   56  129 Ba       -85060.866      10.504      8391.0811     0.0814  B-  -3737.3247    21.6280  128 908683.409      11.276
+  15   72   57  129 La       -81323.541      21.343      8356.0449     0.1655  B-  -5036.0370    35.1633  128 912695.592      22.913
+  13   71   58  129 Ce    x  -76287.504      27.945      8310.9411     0.2166  B-  -6513.9383    40.8585  128 918102.000      30.000
+  11   70   59  129 Pr    x  -69773.566      29.808      8254.3808     0.2311  B-  -7399#       204#      128 925095.000      32.000
+   9   69   60  129 Nd   ep  -62375#        202#         8191#         2#      B-  -9195#       362#      128 933038#        217#
+   7   68   61  129 Pm    x  -53180#        300#         8114#         2#      B- -10850#       583#      128 942909#        322#
+   5   67   62  129 Sm    x  -42330#        500#         8023#         4#      B-      *                  128 954557#        537#
+0 38   84   46  130 Pd    x  -32730#        300#         8046#         2#      B-  13168#       520#      129 964863#        322#
+  36   83   47  130 Ag  -nn  -45898#        424#         8142#         3#      B-  15220#       425#      129 950727#        455#
+  34   82   48  130 Cd    x  -61117.597      22.356      8252.5868     0.1720  B-   8788.9322    22.4274  129 934387.563      24.000
+  32   81   49  130 In       -69906.530       1.790      8314.1760     0.0138  B-  10225.6870     2.5905  129 924952.257       1.921
+  30   80   50  130 Sn       -80132.217       1.873      8386.8170     0.0144  B-   2153.4702    14.1129  129 913974.531       2.010
+  28   79   51  130 Sb       -82285.687      14.212      8397.3641     0.1093  B-   5067.2728    14.2124  129 911662.686      15.257
+  26   78   52  130 Te       -87352.960       0.011      8430.3251     0.0003  B-   -416.7716     3.1537  129 906222.745       0.011
+  24   77   53  130 I    -n  -86936.188       3.154      8421.1011     0.0243  B-   2944.2864     3.1537  129 906670.168       3.385
+  22   76   54  130 Xe       -89880.474       0.009      8437.7314     0.0003  B-  -2980.7199     8.3567  129 903509.346       0.010
+  20   75   55  130 Cs       -86899.754       8.357      8408.7848     0.0643  B-    357.0219     8.3617  129 906709.281       8.971
+  18   74   56  130 Ba       -87256.776       0.287      8405.5130     0.0022  B-  -5629.4021    25.9477  129 906326.002       0.308
+  16   73   57  130 La    x  -81627.374      25.946      8356.1919     0.1996  B-  -2204.4611    38.1328  129 912369.413      27.854
+  14   72   58  130 Ce    x  -79422.913      27.945      8333.2164     0.2150  B-  -8247.4488    70.0853  129 914736.000      30.000
+  12   71   59  130 Pr    x  -71175.464      64.273      8263.7565     0.4944  B-  -4579.2250    70.0853  129 923590.000      69.000
+  10   70   60  130 Nd    x  -66596.239      27.945      8222.5136     0.2150  B- -11127#       202#      129 928506.000      30.000
+   8   69   61  130 Pm    x  -55470#        200#         8131#         2#      B-  -7770#       447#      129 940451#        215#
+   6   68   62  130 Sm    x  -47700#        400#         8065#         3#      B- -14187#       671#      129 948792#        429#
+   4   67   63  130 Eu   -p  -33513#        539#         7950#         4#      B-      *                  129 964022#        578#
+0 39   85   46  131 Pd    x  -25740#        300#         7993#         2#      B-  15010#       583#      130 972367#        322#
+  37   84   47  131 Ag    x  -40750#        500#         8102#         4#      B-  14462#       501#      130 956253#        537#
+  35   83   48  131 Cd       -55211.760      19.238      8206.1204     0.1469  B-  12812.6089    19.3644  130 940727.740      20.653
+  33   82   49  131 In       -68024.369       2.205      8297.9544     0.0168  B-   9240.2095     4.2397  130 926972.839       2.367
+  31   81   50  131 Sn       -77264.579       3.621      8362.5183     0.0276  B-   4716.8328     3.9621  130 917053.067       3.887
+  29   80   51  131 Sb       -81981.412       2.084      8392.5525     0.0159  B-   3229.6099     2.0845  130 911989.339       2.236
+  27   79   52  131 Te   -n  -85211.022       0.061      8411.2339     0.0005  B-   2231.7057     0.6077  130 908522.210       0.065
+  25   78   53  131 I     +  -87442.727       0.605      8422.2977     0.0046  B-    970.8477     0.6046  130 906126.375       0.649
+  23   77   54  131 Xe       -88413.57492     0.00512    8423.7367     0.0003  B-   -358.0009     0.1771  130 905084.12808     0.00549
+  21   76   55  131 Cs  +nn  -88055.574       0.177      8415.0317     0.0014  B-  -1376.6158     0.4515  130 905468.457       0.190
+  19   75   56  131 Ba   -n  -86678.958       0.415      8398.5511     0.0032  B-  -2909.6936    27.9479  130 906946.315       0.445
+  17   74   57  131 La    x  -83769.265      27.945      8370.3676     0.2133  B-  -4060.8167    43.0918  130 910070.000      30.000
+  15   73   58  131 Ce       -79708.448      32.802      8333.3969     0.2504  B-  -5407.7842    55.4462  130 914429.465      35.214
+  13   72   59  131 Pr       -74300.664      46.995      8286.1439     0.3587  B-  -6532.6235    53.0809  130 920234.960      50.451
+  11   71   60  131 Nd       -67768.040      27.517      8230.3045     0.2101  B-  -7998#       202#      130 927248.020      29.541
+   9   70   61  131 Pm    x  -59770#        200#         8163#         2#      B-  -9490#       447#      130 935834#        215#
+   7   69   62  131 Sm    x  -50280#        400#         8085#         3#      B- -10816#       565#      130 946022#        429#
+   5   68   63  131 Eu   -p  -39464#        400#         7996#         3#      B-      *                  130 957634#        429#
+0 38   85   47  132 Ag    x  -34400#        500#         8053#         4#      B-  16065#       504#      131 963070#        537#
+  36   84   48  132 Cd    x  -50465.429      60.068      8169.1421     0.4551  B-  11946.1243    84.9236  131 945823.136      64.485
+  34   83   49  132 In    +  -62411.554      60.033      8253.7162     0.4548  B-  14135.0000    60.0000  131 932998.444      64.447
+  32   82   50  132 Sn       -76546.554       1.976      8354.8726     0.0150  B-   3088.7280     3.1606  131 917823.898       2.121
+  30   81   51  132 Sb       -79635.282       2.467      8372.3452     0.0187  B-   5552.9155     4.2708  131 914508.013       2.648
+  28   80   52  132 Te       -85188.197       3.486      8408.4859     0.0264  B-    515.3046     3.4830  131 908546.713       3.742
+  26   79   53  132 I        -85703.502       4.065      8406.4628     0.0308  B-   3575.4729     4.0654  131 907993.511       4.364
+  24   78   54  132 Xe       -89278.97451     0.00507    8427.6229     0.0003  B-  -2126.2813     1.0359  131 904155.08346     0.00544
+  22   77   55  132 Cs       -87152.693       1.036      8405.5878     0.0079  B-   1282.2099     1.4773  131 906437.740       1.112
+  20   76   56  132 Ba       -88434.903       1.053      8409.3747     0.0080  B-  -4711.3256    36.3537  131 905061.231       1.130
+  18   75   57  132 La       -83723.578      36.359      8367.7559     0.2754  B-  -1254.8898    41.7025  131 910119.047      39.032
+  16   74   58  132 Ce       -82468.688      20.407      8352.3223     0.1546  B-  -7241.2240    35.3594  131 911466.226      21.907
+  14   73   59  132 Pr    x  -75227.464      28.876      8291.5377     0.2188  B-  -3801.6487    37.6795  131 919240.000      31.000
+  12   72   60  132 Nd    x  -71425.815      24.205      8256.8104     0.1834  B-  -9798#       151#      131 923321.237      25.985
+  10   71   61  132 Pm    x  -61628#        149#         8177#         1#      B-  -6488#       335#      131 933840#        160#
+   8   70   62  132 Sm    x  -55140#        300#         8122#         2#      B- -12939#       500#      131 940805#        322#
+   6   69   63  132 Eu    x  -42200#        400#         8018#         3#      B-      *                  131 954696#        429#
+0 39   86   47  133 Ag    x  -29080#        500#         8013#         4#      B-  15059#       539#      132 968781#        537#
+  37   85   48  133 Cd    x  -44140#        200#         8121#         2#      B-  13550#       283#      132 952614#        215#
+  35   84   49  133 In    x  -57690#        200#         8217#         2#      B-  13184#       200#      132 938067#        215#
+  33   83   50  133 Sn       -70873.890       1.904      8310.0890     0.0143  B-   8049.6228     3.6617  132 923913.753       2.043
+  31   82   51  133 Sb       -78923.513       3.128      8364.7302     0.0235  B-   4013.6198     3.5179  132 915272.128       3.357
+  29   81   52  133 Te       -82937.133       2.066      8389.0255     0.0155  B-   2920.1690     6.2531  132 910963.330       2.218
+  27   80   53  133 I        -85857.302       5.902      8405.0993     0.0444  B-   1786.2812     6.3712  132 907828.400       6.335
+  25   79   54  133 Xe    +  -87643.583       2.400      8412.6477     0.0180  B-    427.3600     2.4000  132 905910.748       2.576
+  23   78   55  133 Cs       -88070.943       0.008      8409.9786     0.0003  B-   -517.4310     0.9920  132 905451.958       0.008
+  21   77   56  133 Ba       -87553.512       0.992      8400.2059     0.0075  B-  -2059.1203    27.9624  132 906007.443       1.065
+  19   76   57  133 La    x  -85494.392      27.945      8378.8415     0.2101  B-  -3076.1685    32.3786  132 908218.000      30.000
+  17   75   58  133 Ce    x  -82418.223      16.354      8349.8301     0.1230  B-  -4480.6319    20.5826  132 911520.402      17.557
+  15   74   59  133 Pr    x  -77937.591      12.497      8310.2588     0.0940  B-  -5605.2112    48.2223  132 916330.558      13.416
+  13   73   60  133 Nd    x  -72332.380      46.575      8262.2320     0.3502  B-  -6924.7272    68.5519  132 922348.000      50.000
+  11   72   61  133 Pm    x  -65407.653      50.301      8204.2841     0.3782  B-  -8177#       302#      132 929782.000      54.000
+   9   71   62  133 Sm    x  -57231#        298#         8137#         2#      B-  -9995#       422#      132 938560#        320#
+   7   70   63  133 Eu    x  -47236#        298#         8056#         2#      B- -11176#       582#      132 949290#        320#
+   5   69   64  133 Gd    x  -36060#        500#         7966#         4#      B-      *                  132 961288#        537#
+0 38   86   48  134 Cd    x  -39460#        300#         8086#         2#      B-  12510#       361#      133 957638#        322#
+  36   85   49  134 In    x  -51970#        200#         8173#         1#      B-  14464#       200#      133 944208#        215#
+  34   84   50  134 Sn    x  -66433.759       3.167      8275.1719     0.0236  B-   7585.2453     4.4136  133 928680.430       3.400
+  32   83   51  134 Sb    x  -74019.004       3.074      8325.9398     0.0229  B-   8514.7483     4.1221  133 920537.334       3.300
+  30   82   52  134 Te       -82533.752       2.746      8383.6442     0.0205  B-   1509.6875     4.9335  133 911396.376       2.948
+  28   81   53  134 I        -84043.440       4.857      8389.0722     0.0362  B-   4082.3946     4.8567  133 909775.660       5.213
+  26   80   54  134 Xe       -88125.83443     0.00577    8413.6994     0.0003  B-  -1234.6691     0.0160  133 905393.030       0.006
+  24   79   55  134 Cs       -86891.165       0.016      8398.6470     0.0003  B-   2058.8368     0.2508  133 906718.501       0.017
+  22   78   56  134 Ba       -88950.002       0.251      8408.1731     0.0019  B-  -3731.3434    19.9312  133 904508.249       0.269
+  20   77   57  134 La    x  -85218.659      19.930      8374.4888     0.1487  B-   -385.7605    28.5098  133 908514.011      21.395
+  18   76   58  134 Ce    x  -84832.898      20.387      8365.7716     0.1521  B-  -6304.8987    28.7814  133 908928.142      21.886
+  16   75   59  134 Pr    x  -78528.000      20.316      8312.8817     0.1516  B-  -2881.5569    23.5032  133 915696.729      21.810
+  14   74   60  134 Nd    x  -75646.443      11.817      8285.5391     0.0882  B-  -8882.5343    43.5512  133 918790.207      12.686
+  12   73   61  134 Pm    x  -66763.908      41.917      8213.4131     0.3128  B-  -5388#       200#      133 928326.000      45.000
+  10   72   62  134 Sm    x  -61376#        196#         8167#         1#      B- -11576#       358#      133 934110#        210#
+   8   71   63  134 Eu    x  -49800#        300#         8075#         2#      B-  -8271#       500#      133 946537#        322#
+   6   70   64  134 Gd    x  -41530#        400#         8008#         3#      B-      *                  133 955416#        429#
+0 39   87   48  135 Cd    x  -32820#        400#         8036#         3#      B-  14290#       500#      134 964766#        429#
+  37   86   49  135 In    x  -47110#        300#         8136#         2#      B-  13522#       300#      134 949425#        322#
+  35   85   50  135 Sn    x  -60632.252       3.074      8230.6877     0.0228  B-   9058.0800     4.0522  134 934908.603       3.300
+  33   84   51  135 Sb       -69690.332       2.640      8291.9894     0.0196  B-   8038.4581     3.1524  134 925184.354       2.834
+  31   83   52  135 Te       -77728.790       1.722      8345.7384     0.0128  B-   6050.3894     2.6850  134 916554.715       1.848
+  29   82   53  135 I        -83779.180       2.060      8384.7609     0.0153  B-   2634.1851     3.8284  134 910059.355       2.211
+  27   81   54  135 Xe       -86413.365       3.668      8398.4783     0.0272  B-   1168.5917     3.6623  134 907231.441       3.938
+  25   80   55  135 Cs       -87581.956       0.364      8401.3393     0.0027  B-    268.6983     0.2862  134 905976.907       0.390
+  23   79   56  135 Ba       -87850.655       0.245      8397.5345     0.0018  B-  -1207.1973     9.4299  134 905688.447       0.263
+  21   78   57  135 La       -86643.458       9.432      8382.7972     0.0699  B-  -2027.1499     4.6101  134 906984.427      10.126
+  19   77   58  135 Ce       -84616.308      10.266      8361.9861     0.0760  B-  -3680.4357    15.6540  134 909160.662      11.021
+  17   76   59  135 Pr    x  -80935.872      11.817      8328.9284     0.0875  B-  -4722.2522    22.4837  134 913111.772      12.686
+  15   75   60  135 Nd    x  -76213.620      19.128      8288.1536     0.1417  B-  -6151.2907    85.0809  134 918181.318      20.534
+  13   74   61  135 Pm    x  -70062.329      82.903      8236.7933     0.6141  B-  -7205.1069   175.4501  134 924785.000      89.000
+  11   73   62  135 Sm    x  -62857.222     154.628      8177.6270     1.1454  B-  -8709#       249#      134 932520.000     166.000
+   9   72   63  135 Eu    x  -54148#        196#         8107#         1#      B-  -9898#       445#      134 941870#        210#
+   7   71   64  135 Gd    x  -44250#        400#         8028#         3#      B- -11197#       565#      134 952496#        429#
+   5   70   65  135 Tb   -p  -33053#        400#         7939#         3#      B-      *                  134 964516#        429#
+0 38   87   49  136 In    x  -40970#        300#         8091#         2#      B-  15200#       361#      135 956017#        322#
+  36   86   50  136 Sn    x  -56170#        200#         8197#         1#      B-   8337#       200#      135 939699#        215#
+  34   85   51  136 Sb       -64506.890       5.830      8252.2533     0.0429  B-   9918.3897     6.2599  135 930749.009       6.258
+  32   84   52  136 Te       -74425.279       2.281      8319.4301     0.0168  B-   5119.9455    14.1880  135 920101.180       2.448
+  30   83   53  136 I        -79545.225      14.188      8351.3242     0.1043  B-   6883.9455    14.1880  135 914604.693      15.231
+  28   82   54  136 Xe       -86429.170       0.007      8396.1889     0.0003  B-    -90.3151     1.8730  135 907214.474       0.007
+  26   81   55  136 Cs    +  -86338.855       1.873      8389.7723     0.0138  B-   2548.2241     1.8570  135 907311.431       2.010
+  24   80   56  136 Ba       -88887.079       0.245      8402.7566     0.0018  B-  -2849.5915    53.1715  135 904575.800       0.262
+  22   79   57  136 La    x  -86037.488      53.171      8376.0512     0.3910  B-    471.0621    53.1720  135 907634.962      57.081
+  20   78   58  136 Ce       -86508.550       0.324      8373.7624     0.0024  B-  -5168.1290    11.4561  135 907129.256       0.348
+  18   77   59  136 Pr       -81340.421      11.455      8330.0089     0.0842  B-  -2141.1234    16.4578  135 912677.470      12.296
+  16   76   60  136 Nd    x  -79199.297      11.817      8308.5127     0.0869  B-  -8029.3747    70.0764  135 914976.061      12.686
+  14   75   61  136 Pm    x  -71169.923      69.073      8243.7207     0.5079  B-  -4359.0237    70.1942  135 923595.949      74.152
+  12   74   62  136 Sm    x  -66810.899      12.497      8205.9165     0.0919  B- -10567#       196#      135 928275.553      13.416
+  10   73   63  136 Eu    x  -56244#        196#         8122#         1#      B-  -7154#       357#      135 939620#        210#
+   8   72   64  136 Gd    x  -49090#        298#         8064#         2#      B- -13190#       582#      135 947300#        320#
+   6   71   65  136 Tb    x  -35900#        500#         7961#         4#      B-      *                  135 961460#        537#
+0 39   88   49  137 In    x  -35830#        400#         8053#         3#      B-  14320#       500#      136 961535#        429#
+  37   87   50  137 Sn    x  -50150#        300#         8152#         2#      B-   9911#       304#      136 946162#        322#
+  35   86   51  137 Sb    x  -60060.392      52.164      8218.4764     0.3808  B-   9243.3698    52.2059  136 935522.519      56.000
+  33   85   52  137 Te       -69303.762       2.100      8280.2357     0.0153  B-   7052.5063     8.6426  136 925599.354       2.254
+  31   84   53  137 I  p-2n  -76356.268       8.383      8326.0033     0.0612  B-   6027.1455     8.3841  136 918028.178       9.000
+  29   83   54  137 Xe   -n  -82383.414       0.104      8364.2865     0.0008  B-   4162.3582     0.3193  136 911557.771       0.111
+  27   82   55  137 Cs    +  -86545.772       0.302      8388.9581     0.0022  B-   1175.6285     0.1723  136 907089.296       0.324
+  25   81   56  137 Ba       -87721.401       0.248      8391.8288     0.0018  B-   -580.5356     1.6231  136 905827.207       0.266
+  23   80   57  137 La    +  -87140.865       1.640      8381.8807     0.0120  B-  -1222.1000     1.6000  136 906450.438       1.760
+  21   79   58  137 Ce       -85918.765       0.360      8367.2497     0.0026  B-  -2716.9515     8.1328  136 907762.416       0.386
+  19   78   59  137 Pr       -83201.814       8.135      8341.7074     0.0594  B-  -3617.8447    14.2706  136 910679.183       8.733
+  17   77   60  137 Nd       -79583.969      11.725      8309.5892     0.0856  B-  -5511.1108    17.5366  136 914563.099      12.586
+  15   76   61  137 Pm    x  -74072.858      13.041      8263.6516     0.0952  B-  -6081.2029    31.4460  136 920479.519      14.000
+  13   75   62  137 Sm       -67991.655      28.614      8213.5527     0.2089  B-  -7845.7518    28.9474  136 927007.959      30.718
+  11   74   63  137 Eu    x  -60145.904       4.378      8150.5738     0.0320  B-  -8932#       298#      136 935430.719       4.700
+   9   73   64  137 Gd    x  -51214#        298#         8080#         2#      B- -10246#       499#      136 945020#        320#
+   7   72   65  137 Tb    x  -40967#        401#         7999#         3#      B-      *                  136 956020#        430#
+0 38   88   50  138 Sn    x  -45510#        400#         8118#         3#      B-   9140#       500#      137 951143#        429#
+  36   87   51  138 Sb    x  -54650#        300#         8178#         2#      B-  11046#       300#      137 941331#        322#
+  34   86   52  138 Te       -65695.995       3.787      8252.5786     0.0274  B-   6283.9149     7.0625  137 929472.452       4.065
+  32   85   53  138 I     x  -71979.910       5.962      8292.4450     0.0432  B-   7992.3346     6.5881  137 922726.392       6.400
+  30   84   54  138 Xe       -79972.244       2.804      8344.6913     0.0203  B-   2914.7839     9.5780  137 914146.268       3.010
+  28   83   55  138 Cs       -82887.028       9.158      8360.1437     0.0664  B-   5374.7776     9.1584  137 911017.119       9.831
+  26   82   56  138 Ba       -88261.806       0.249      8393.4222     0.0018  B-  -1748.3977     0.3384  137 905247.059       0.267
+  24   81   57  138 La       -86513.408       0.416      8375.0835     0.0030  B-   1052.4585     0.4018  137 907124.041       0.446
+  22   80   58  138 Ce       -87565.867       0.499      8377.0408     0.0036  B-  -4437.0000    10.0000  137 905994.180       0.536
+  20   79   59  138 Pr    -  -83128.867      10.012      8339.2195     0.0726  B-  -1111.6847    15.3256  137 910757.495      10.748
+  18   78   60  138 Nd       -82017.182      11.603      8325.4946     0.0841  B-  -7102.8119    16.0995  137 911950.938      12.456
+  16   77   61  138 Pm       -74914.370      11.603      8268.3558     0.0841  B-  -3416.5976    16.5613  137 919576.119      12.456
+  14   76   62  138 Sm    x  -71497.772      11.817      8237.9286     0.0856  B-  -9748.0968    30.3408  137 923243.988      12.686
+  12   75   63  138 Eu    x  -61749.676      27.945      8161.6211     0.2025  B-  -6090#       202#      137 933709.000      30.000
+  10   74   64  138 Gd    x  -55660#        200#         8112#         1#      B- -12059#       361#      137 940247#        215#
+   8   73   65  138 Tb    x  -43600#        300#         8019#         2#      B-  -8669#       586#      137 953193#        322#
+   6   72   66  138 Dy    x  -34931#        503#         7950#         4#      B-      *                  137 962500#        540#
+0 39   89   50  139 Sn    x  -39310#        400#         8073#         3#      B-  10740#       565#      138 957799#        429#
+  37   88   51  139 Sb    x  -50050#        400#         8144#         3#      B-  10155#       400#      138 946269#        429#
+  35   87   52  139 Te    x  -60205.080       3.540      8211.7716     0.0255  B-   8265.8835     5.3454  138 935367.191       3.800
+  33   86   53  139 I     x  -68470.964       4.005      8265.6100     0.0288  B-   7173.6224     4.5424  138 926493.400       4.300
+  31   85   54  139 Xe    x  -75644.586       2.142      8311.5904     0.0154  B-   5056.5023     3.7960  138 918792.200       2.300
+  29   84   55  139 Cs    +  -80701.088       3.134      8342.3397     0.0225  B-   4212.8293     3.1235  138 913363.822       3.364
+  27   83   56  139 Ba   -n  -84913.918       0.253      8367.0194     0.0018  B-   2308.4632     0.6571  138 908841.164       0.271
+  25   82   57  139 La       -87222.381       0.607      8377.9987     0.0044  B-   -264.6396     1.9989  138 906362.927       0.651
+  23   81   58  139 Ce       -86957.741       2.089      8370.4664     0.0150  B-  -2129.0890     2.9962  138 906647.029       2.242
+  21   80   59  139 Pr       -84828.652       3.649      8349.5208     0.0263  B-  -2811.7226    27.6166  138 908932.700       3.917
+  19   79   60  139 Nd       -82016.930      27.521      8323.6642     0.1980  B-  -4515.9014    25.8700  138 911951.208      29.545
+  17   78   61  139 Pm       -77501.028      13.588      8285.5473     0.0978  B-  -5120.7993    17.4098  138 916799.228      14.587
+  15   77   62  139 Sm    x  -72380.229      10.884      8243.0786     0.0783  B-  -6982.1777    17.0705  138 922296.631      11.684
+  13   76   63  139 Eu    x  -65398.051      13.151      8187.2187     0.0946  B-  -7767#       196#      138 929792.307      14.117
+  11   75   64  139 Gd    x  -57632#        196#         8126#         1#      B-  -9501#       357#      138 938130#        210#
+   9   74   65  139 Tb    x  -48130#        298#         8052#         2#      B- -10430#       582#      138 948330#        320#
+   7   73   66  139 Dy    x  -37700#        500#         7971#         4#      B-      *                  138 959527#        537#
+0 40   90   50  140 Sn    x  -34490#        300#         8038#         2#      B-   9900#       671#      139 962973#        322#
+  38   89   51  140 Sb    x  -44390#        600#         8103#         4#      B-  11977#       600#      139 952345#        644#
+  36   88   52  140 Te       -56367.449      14.377      8183.3567     0.1027  B-   7238.7734    18.7976  139 939487.057      15.434
+  34   87   53  140 I     x  -63606.223      12.109      8229.4740     0.0865  B-   9380.2388    12.3313  139 931715.914      13.000
+  32   86   54  140 Xe    x  -72986.461       2.329      8290.8875     0.0166  B-   4063.2768     8.5232  139 921645.814       2.500
+  30   85   55  140 Cs       -77049.738       8.199      8314.3227     0.0586  B-   6218.1669     9.8671  139 917283.707       8.801
+  28   84   56  140 Ba       -83267.905       7.900      8353.1500     0.0564  B-   1044.1542     7.9051  139 910608.231       8.480
+  26   83   57  140 La       -84312.059       0.607      8355.0201     0.0043  B-   3762.1676     1.3364  139 909487.285       0.651
+  24   82   58  140 Ce       -88074.227       1.313      8376.3045     0.0094  B-  -3388.0000     6.0000  139 905448.433       1.409
+  22   81   59  140 Pr    -  -84686.227       6.142      8346.5163     0.0439  B-   -428.9806     6.9536  139 909085.600       6.593
+  20   80   60  140 Nd    x  -84257.246       3.260      8337.8640     0.0233  B-  -6045.2000    24.0000  139 909546.130       3.500
+  18   79   61  140 Pm    -  -78212.046      24.220      8289.0958     0.1730  B-  -2756.1010    27.2546  139 916035.918      26.001
+  16   78   62  140 Sm    x  -75455.945      12.497      8263.8211     0.0893  B-  -8470.0000    50.0000  139 918994.714      13.416
+  14   77   63  140 Eu    -  -66985.945      51.538      8197.7330     0.3681  B-  -5203.6675    58.6268  139 928087.633      55.328
+  12   76   64  140 Gd    x  -61782.278      27.945      8154.9757     0.1996  B- -11300.0000   800.0000  139 933674.000      30.000
+  10   75   65  140 Tb    -  -50482.278     800.488      8068.6732     5.7178  B-  -7652#       895#      139 945805.048     859.359
+   8   74   66  140 Dy    x  -42830#        401#         8008#         3#      B- -13513#       641#      139 954020#        430#
+   6   73   67  140 Ho   -p  -29317#        500#         7906#         4#      B-      *                  139 968526#        537#
+0 39   90   51  141 Sb    x  -39540#        500#         8069#         4#      B-  11129#       640#      140 957552#        537#
+  37   89   52  141 Te    x  -50670#        400#         8142#         3#      B-   9257#       400#      140 945604#        429#
+  35   88   53  141 I     x  -59926.666      15.835      8202.2562     0.1123  B-   8270.6430    16.0965  140 935666.081      17.000
+  33   87   54  141 Xe    x  -68197.309       2.888      8255.3647     0.0205  B-   6280.0423     9.6378  140 926787.181       3.100
+  31   86   55  141 Cs       -74477.351       9.195      8294.3554     0.0652  B-   5255.1410     9.6174  140 920045.279       9.871
+  29   85   56  141 Ba       -79732.492       5.318      8326.0774     0.0377  B-   3197.3515     6.5510  140 914403.653       5.709
+  27   84   57  141 La       -82929.844       4.127      8343.2050     0.0293  B-   2501.2141     3.9279  140 910971.155       4.430
+  25   83   58  141 Ce       -85431.058       1.315      8355.3956     0.0093  B-    583.4758     1.1784  140 908285.991       1.411
+  23   82   59  141 Pr       -86014.533       1.498      8353.9852     0.0106  B-  -1823.0137     2.8090  140 907659.604       1.607
+  21   81   60  141 Nd    -  -84191.520       3.183      8335.5074     0.0226  B-  -3668.5879    14.3304  140 909616.690       3.417
+  19   80   61  141 Pm    x  -80522.932      13.972      8303.9405     0.0991  B-  -4588.9724    16.3730  140 913555.081      15.000
+  17   79   62  141 Sm       -75933.959       8.535      8265.8460     0.0605  B-  -6008.3127    14.2829  140 918481.545       9.162
+  15   78   63  141 Eu       -69925.647      12.639      8217.6853     0.0896  B-  -6701.4161    23.4562  140 924931.734      13.568
+  13   77   64  141 Gd    x  -63224.231      19.760      8164.6090     0.1401  B-  -8683.3880   107.0975  140 932126.000      21.213
+  11   76   65  141 Tb    x  -54540.843     105.259      8097.4761     0.7465  B-  -9158#       316#      140 941448.000     113.000
+   9   75   66  141 Dy    x  -45382#        298#         8027#         2#      B- -11018#       499#      140 951280#        320#
+   7   74   67  141 Ho   -p  -34364#        401#         7943#         3#      B-      *                  140 963108#        430#
+0 40   91   51  142 Sb    x  -33610#        300#         8027#         2#      B-  12939#       583#      141 963918#        322#
+  38   90   52  142 Te    x  -46550#        500#         8113#         4#      B-   8253#       500#      141 950027#        537#
+  36   89   53  142 I     x  -54802.969       4.937      8165.2517     0.0348  B-  10426.6792     5.6276  141 941166.595       5.300
+  34   88   54  142 Xe    x  -65229.648       2.701      8233.1695     0.0190  B-   5284.9078     7.5655  141 929973.095       2.900
+  32   87   55  142 Cs       -70514.556       7.067      8264.8777     0.0498  B-   7327.7007     8.3627  141 924299.514       7.586
+  30   86   56  142 Ba       -77842.257       5.920      8310.9718     0.0417  B-   2181.6932     8.3754  141 916432.904       6.355
+  28   85   57  142 La       -80023.950       6.286      8320.8263     0.0443  B-   4508.9455     5.8446  141 914090.760       6.748
+  26   84   58  142 Ce       -84532.896       2.443      8347.0700     0.0172  B-   -746.5288     2.4868  141 909250.208       2.623
+  24   83   59  142 Pr       -83786.367       1.498      8336.3032     0.0106  B-   2163.6885     1.3656  141 910051.640       1.607
+  22   82   60  142 Nd       -85950.055       1.256      8346.0310     0.0088  B-  -4808.5196    23.6216  141 907728.824       1.348
+  20   81   61  142 Pm       -81141.536      23.596      8306.6587     0.1662  B-  -2159.6062    23.6524  141 912890.982      25.330
+  18   80   62  142 Sm       -78981.930       1.866      8285.9407     0.0131  B-  -7673.0000    30.0000  141 915209.415       2.002
+  16   79   63  142 Eu    -  -71308.930      30.058      8226.3960     0.2117  B-  -4349.4074    41.0414  141 923446.719      32.268
+  14   78   64  142 Gd    x  -66959.522      27.945      8190.2569     0.1968  B- -10400.0000   700.0000  141 928116.000      30.000
+  12   77   65  142 Tb    -  -56559.522     700.558      8111.5080     4.9335  B-  -6440#       200#      141 939280.858     752.079
+  10   76   66  142 Dy    -  -50120#        729#         8061#         5#      B- -12869#       831#      141 946194#        782#
+   8   75   67  142 Ho    x  -37250#        401#         7965#         3#      B-  -9321#       641#      141 960010#        430#
+   6   74   68  142 Er    x  -27930#        500#         7893#         4#      B-      *                  141 970016#        537#
+0 39   91   52  143 Te    x  -40530#        500#         8070#         3#      B-  10259#       539#      142 956489#        537#
+  37   90   53  143 I     x  -50790#        200#         8137#         1#      B-   9413#       200#      142 945475#        215#
+  35   89   54  143 Xe    x  -60202.882       4.657      8196.8855     0.0326  B-   7472.6365     8.8908  142 935369.550       5.000
+  33   88   55  143 Cs       -67675.519       7.573      8243.6707     0.0530  B-   6261.6865     9.7303  142 927347.346       8.130
+  31   87   56  143 Ba       -73937.205       6.756      8281.9878     0.0472  B-   4234.2623     9.9682  142 920625.149       7.253
+  29   86   57  143 La       -78171.467       7.329      8306.1271     0.0513  B-   3434.9108     7.5812  142 916079.482       7.868
+  27   85   58  143 Ce       -81606.378       2.442      8324.6765     0.0171  B-   1461.8214     1.8649  142 912391.953       2.621
+  25   84   59  143 Pr       -83068.200       1.816      8329.4280     0.0127  B-    934.1107     1.3673  142 910822.624       1.949
+  23   83   60  143 Nd       -84002.310       1.255      8330.4893     0.0088  B-  -1041.6463     2.6830  142 909819.815       1.347
+  21   82   61  143 Pm       -82960.664       2.944      8317.7341     0.0206  B-  -3443.5291     3.5604  142 910938.068       3.160
+  19   81   62  143 Sm       -79517.135       2.750      8288.1825     0.0192  B-  -5275.8240    11.3245  142 914634.848       2.951
+  17   80   63  143 Eu    x  -74241.311      10.986      8245.8177     0.0768  B-  -6010.0000   200.0000  142 920298.678      11.793
+  15   79   64  143 Gd    -  -68231.311     200.301      8198.3188     1.4007  B-  -7812.1185   206.7497  142 926750.678     215.032
+  13   78   65  143 Tb    x  -60419.192      51.232      8138.2176     0.3583  B-  -8250.2433    52.8659  142 935137.332      55.000
+  11   77   66  143 Dy    x  -52168.949      13.041      8075.0527     0.0912  B- -10121#       298#      142 943994.332      14.000
+   9   76   67  143 Ho    x  -42048#        298#         7999#         2#      B- -10887#       499#      142 954860#        320#
+   7   75   68  143 Er    x  -31160#        400#         7917#         3#      B-      *                  142 966548#        429#
+0 40   92   52  144 Te    x  -36220#        300#         8040#         2#      B-   9110#       500#      143 961116#        322#
+  38   91   53  144 I     x  -45330#        400#         8098#         3#      B-  11542#       400#      143 951336#        429#
+  36   90   54  144 Xe    x  -56872.301       5.310      8172.8845     0.0369  B-   6399.0606    20.8203  143 938945.076       5.700
+  34   89   55  144 Cs       -63271.362      20.132      8211.8894     0.1398  B-   8495.7679    20.4163  143 932075.402      21.612
+  32   88   56  144 Ba       -71767.130       7.136      8265.4549     0.0496  B-   3082.5300    14.7744  143 922954.821       7.661
+  30   87   57  144 La    x  -74849.660      12.937      8281.4283     0.0898  B-   5582.2823    13.2432  143 919645.589      13.888
+  28   86   58  144 Ce    +  -80431.942       2.833      8314.7612     0.0197  B-    318.6462     0.8321  143 913652.763       3.041
+  26   85   59  144 Pr    +  -80750.588       2.708      8311.5411     0.0188  B-   2997.4400     2.4000  143 913310.682       2.907
+  24   84   60  144 Nd       -83748.028       1.255      8326.9237     0.0087  B-  -2331.9117     2.6464  143 910092.798       1.346
+  22   83   61  144 Pm       -81416.116       2.912      8305.2969     0.0202  B-    549.5096     2.6679  143 912596.208       3.126
+  20   82   62  144 Sm       -81965.626       1.459      8303.6800     0.0101  B-  -6346.4515    10.8092  143 912006.285       1.566
+  18   81   63  144 Eu       -75619.175      10.787      8254.1744     0.0749  B-  -3859.6633    29.9546  143 918819.481      11.580
+  16   80   64  144 Gd    x  -71759.511      27.945      8221.9382     0.1941  B-  -9391.3235    39.5199  143 922963.000      30.000
+  14   79   65  144 Tb    x  -62368.188      27.945      8151.2877     0.1941  B-  -5798.0965    28.8506  143 933045.000      30.000
+  12   78   66  144 Dy    x  -56570.091       7.173      8105.5902     0.0498  B- -11960.5706    11.1039  143 939269.512       7.700
+  10   77   67  144 Ho    x  -44609.521       8.477      8017.0977     0.0589  B-  -8002#       196#      143 952109.712       9.100
+   8   76   68  144 Er    x  -36608#        196#         7956#         1#      B- -14448#       445#      143 960700#        210#
+   6   75   69  144 Tm   -p  -22159#        400#         7850#         3#      B-      *                  143 976211#        429#
+0 41   93   52  145 Te    x  -30010#        300#         7998#         2#      B-  11120#       583#      144 967783#        322#
+  39   92   53  145 I     x  -41130#        500#         8069#         3#      B-  10363#       500#      144 955845#        537#
+  37   91   54  145 Xe    x  -51493.337      11.178      8135.0877     0.0771  B-   8561.0867    14.3929  144 944719.631      12.000
+  35   90   55  145 Cs       -60054.424       9.067      8188.7342     0.0625  B-   7461.7591    12.4121  144 935528.927       9.733
+  33   89   56  145 Ba    x  -67516.183       8.477      8234.7991     0.0585  B-   5319.1425    14.9122  144 927518.400       9.100
+  31   88   57  145 La       -72835.325      12.269      8266.0873     0.0846  B-   4231.7331    35.2977  144 921808.065      13.170
+  29   87   58  145 Ce       -77067.059      33.900      8289.8762     0.2338  B-   2558.9318    33.6347  144 917265.113      36.393
+  27   86   59  145 Pr       -79625.990       7.149      8302.1285     0.0493  B-   1806.0140     7.0370  144 914517.987       7.674
+  25   85   60  145 Nd       -81432.004       1.271      8309.1883     0.0088  B-   -164.4982     2.5361  144 912579.151       1.364
+  23   84   61  145 Pm       -81267.506       2.805      8302.6583     0.0193  B-   -616.0990     2.5390  144 912755.748       3.011
+  21   83   62  145 Sm       -80651.407       1.485      8293.0139     0.0102  B-  -2659.8832     2.7224  144 913417.157       1.594
+  19   82   63  145 Eu       -77991.524       3.060      8269.2744     0.0211  B-  -5064.8984    19.9521  144 916272.659       3.285
+  17   81   64  145 Gd       -72926.626      19.716      8228.9485     0.1360  B-  -6526.9329   109.7144  144 921710.051      21.165
+  15   80   65  145 Tb       -66399.693     110.896      8178.5397     0.7648  B-  -8157.0853   111.0872  144 928717.001     119.051
+  13   79   66  145 Dy    x  -58242.607       6.520      8116.8884     0.0450  B-  -9122.4943     9.9019  144 937473.992       7.000
+  11   78   67  145 Ho    x  -49120.113       7.452      8048.5792     0.0514  B-  -9880#       200#      144 947267.392       8.000
+   9   77   68  145 Er    x  -39240#        200#         7975#         1#      B- -11657#       280#      144 957874#        215#
+   7   76   69  145 Tm   -p  -27583#        196#         7889#         1#      B-      *                  144 970389#        210#
+0 40   93   53  146 I     x  -35540#        300#         8031#         2#      B-  12415#       301#      145 961846#        322#
+  38   92   54  146 Xe    x  -47954.950      24.219      8110.4154     0.1659  B-   7355.4298    24.3911  145 948518.245      26.000
+  36   91   55  146 Cs    x  -55310.380       2.893      8155.4365     0.0198  B-   9555.8882     3.3918  145 940621.867       3.106
+  34   90   56  146 Ba    x  -64866.269       1.770      8215.5293     0.0121  B-   4354.9052     2.4366  145 930363.200       1.900
+  32   89   57  146 La       -69221.174       1.675      8239.9988     0.0115  B-   6404.6947    14.7146  145 925688.017       1.797
+  30   88   58  146 Ce       -75625.868      14.665      8278.5081     0.1004  B-   1047.6178    32.4842  145 918812.294      15.743
+  28   87   59  146 Pr       -76673.486      34.356      8280.3250     0.2353  B-   4252.4300    34.3686  145 917687.630      36.882
+  26   86   60  146 Nd       -80925.916       1.273      8304.0927     0.0087  B-  -1471.5560     4.1194  145 913122.459       1.366
+  24   85   61  146 Pm    +  -79454.360       4.275      8288.6550     0.0293  B-   1542.0000     3.0000  145 914702.240       4.589
+  22   84   62  146 Sm       -80996.360       3.045      8293.8581     0.0209  B-  -3878.7573     5.8685  145 913046.835       3.269
+  20   83   63  146 Eu       -77117.603       6.009      8261.9327     0.0412  B-  -1031.7798     7.0750  145 917210.852       6.451
+  18   82   64  146 Gd       -76085.823       4.076      8249.5072     0.0279  B-  -8322.1791    44.7488  145 918318.513       4.376
+  16   81   65  146 Tb       -67763.644      44.860      8187.1474     0.3073  B-  -5208.7165    45.1580  145 927252.739      48.159
+  14   80   66  146 Dy       -62554.928       6.695      8146.1128     0.0459  B- -11316.7007     9.3917  145 932844.526       7.187
+  12   79   67  146 Ho       -51238.227       6.587      8063.2426     0.0451  B-  -6916.2074     9.3987  145 944993.503       7.071
+  10   78   68  146 Er       -44322.019       6.705      8010.5127     0.0459  B- -13267#       200#      145 952418.357       7.197
+   8   77   69  146 Tm   -p  -31055#        200#         7914#         1#      B-      *                  145 966661#        215#
+0 41   94   53  147 I     x  -31200#        300#         8001#         2#      B-  11199#       361#      146 966505#        322#
+  39   93   54  147 Xe    x  -42400#        200#         8072#         1#      B-   9520#       200#      146 954482#        215#
+  37   92   55  147 Cs    x  -51920.073       8.383      8131.8010     0.0570  B-   8343.9631    21.4535  146 944261.512       9.000
+  35   91   56  147 Ba    x  -60264.036      19.748      8183.2405     0.1343  B-   6414.3615    22.4660  146 935303.900      21.200
+  33   90   57  147 La    x  -66678.397      10.712      8221.5536     0.0729  B-   5335.5046    13.7248  146 928417.800      11.500
+  31   89   58  147 Ce       -72013.902       8.580      8252.5274     0.0584  B-   3430.1913    15.5317  146 922689.900       9.211
+  29   88   59  147 Pr       -75444.093      15.855      8270.5400     0.1079  B-   2702.7013    15.8571  146 919007.438      17.020
+  27   87   60  147 Nd       -78146.794       1.275      8283.6036     0.0087  B-    895.1896     0.5664  146 916105.969       1.368
+  25   86   61  147 Pm       -79041.984       1.288      8284.3712     0.0088  B-    224.0638     0.2940  146 915144.944       1.382
+  23   85   62  147 Sm       -79266.048       1.262      8280.5734     0.0086  B-  -1721.4367     2.2832  146 914904.401       1.354
+  21   84   63  147 Eu       -77544.611       2.569      8263.5409     0.0175  B-  -2187.6833     2.5273  146 916752.440       2.758
+  19   83   64  147 Gd       -75356.928       1.887      8243.3366     0.0128  B-  -4614.2543     8.1414  146 919101.014       2.025
+  17   82   65  147 Tb       -70742.674       8.096      8206.6250     0.0551  B-  -6546.6266    11.9939  146 924054.620       8.691
+  15   81   66  147 Dy    x  -64196.047       8.849      8156.7680     0.0602  B-  -8438.9460    10.1644  146 931082.712       9.500
+  13   80   67  147 Ho       -55757.101       5.001      8094.0381     0.0340  B-  -9149.2869    38.5173  146 940142.293       5.368
+  11   79   68  147 Er    x  -46607.814      38.191      8026.4760     0.2598  B- -10633.4071    38.7987  146 949964.456      41.000
+   9   78   69  147 Tm       -35974.407       6.839      7948.8178     0.0465  B-      *                  146 961379.887       7.341
+0 40   94   54  148 Xe    x  -38650#        300#         8047#         2#      B-   8261#       300#      147 958508#        322#
+  38   93   55  148 Cs    x  -46910.950      13.041      8097.5469     0.0881  B-  10633.9614    13.1258  147 949639.026      14.000
+  36   92   56  148 Ba    x  -57544.911       1.490      8164.1118     0.0101  B-   5163.8307    19.5252  147 938223.000       1.600
+  34   91   57  148 La    x  -62708.742      19.468      8193.7165     0.1315  B-   7689.6824    22.4573  147 932679.400      20.900
+  32   90   58  148 Ce       -70398.424      11.195      8240.3876     0.0756  B-   2137.0282    12.5663  147 924424.186      12.017
+  30   89   59  148 Pr       -72535.452      15.041      8249.5409     0.1016  B-   4872.6133    15.0858  147 922129.992      16.147
+  28   88   60  148 Nd       -77408.066       2.053      8277.1778     0.0139  B-   -542.1891     5.8755  147 916899.027       2.203
+  26   87   61  148 Pm   +p  -76865.877       5.690      8268.2283     0.0384  B-   2470.1898     5.6409  147 917481.091       6.108
+  24   86   62  148 Sm       -79336.067       1.246      8279.6326     0.0084  B-  -3038.5844     9.9657  147 914829.233       1.337
+  22   85   63  148 Eu       -76297.482       9.961      8253.8155     0.0673  B-    -28.0630     9.9633  147 918091.288      10.693
+  20   84   64  148 Gd       -76269.419       1.460      8248.3398     0.0099  B-  -5732.4723    12.5208  147 918121.414       1.566
+  18   83   65  148 Tb       -70536.947      12.463      8204.3207     0.0842  B-  -2677.5501     9.5961  147 924275.476      13.379
+  16   82   66  148 Dy       -67859.397       8.724      8180.9430     0.0589  B-  -9868.2304    84.2872  147 927149.944       9.365
+  14   81   67  148 Ho    x  -57991.166      83.834      8108.9797     0.5664  B-  -6512.1694    84.4583  147 937743.925      90.000
+  12   80   68  148 Er    x  -51478.997      10.246      8059.6924     0.0692  B- -12713.9630    14.4906  147 944735.026      11.000
+  10   79   69  148 Tm    x  -38765.034      10.246      7968.5011     0.0692  B-  -8535#       400#      147 958384.026      11.000
+   8   78   70  148 Yb    x  -30230#        400#         7906#         3#      B-      *                  147 967547#        429#
+0 41   95   54  149 Xe    x  -33000#        300#         8009#         2#      B-  10300#       500#      148 964573#        322#
+  39   94   55  149 Cs    x  -43300#        400#         8073#         3#      B-   9531#       400#      148 953516#        429#
+  37   93   56  149 Ba    x  -52830.620       2.515      8131.8495     0.0169  B-   7389.3010   200.2781  148 943284.000       2.700
+  35   92   57  149 La    +  -60219.921     200.262      8176.1915     1.3440  B-   6450.0000   200.0000  148 935351.259     214.990
+  33   91   58  149 Ce    x  -66669.921      10.246      8214.2294     0.0688  B-   4369.4525    14.2296  148 928426.900      11.000
+  31   90   59  149 Pr    x  -71039.373       9.874      8238.3040     0.0663  B-   3336.1617    10.0853  148 923736.100      10.600
+  29   89   60  149 Nd   -n  -74375.535       2.054      8255.4437     0.0138  B-   1688.8697     2.4588  148 920154.583       2.205
+  27   88   61  149 Pm       -76064.404       2.184      8261.5277     0.0147  B-   1071.4936     1.8747  148 918341.507       2.344
+  25   87   62  149 Sm       -77135.898       1.157      8263.4683     0.0078  B-   -694.5812     3.7881  148 917191.211       1.241
+  23   86   63  149 Eu       -76441.317       3.903      8253.5560     0.0262  B-  -1314.1437     4.1361  148 917936.875       4.190
+  21   85   64  149 Gd       -75127.173       3.310      8239.4856     0.0222  B-  -3638.5336     4.3388  148 919347.666       3.553
+  19   84   65  149 Tb       -71488.639       3.629      8209.8153     0.0244  B-  -3794.6493     9.1335  148 923253.792       3.895
+  17   83   66  149 Dy       -67693.990       9.183      8179.0972     0.0616  B-  -6048.1366    12.7928  148 927327.516       9.858
+  15   82   67  149 Ho       -61645.854      11.985      8133.2550     0.0804  B-  -7904.2328    30.4066  148 933820.457      12.866
+  13   81   68  149 Er    x  -53741.621      27.945      8074.9558     0.1875  B-  -9801#       202#      148 942306.000      30.000
+  11   80   69  149 Tm    x  -43940#        200#         8004#         1#      B- -10611#       361#      148 952828#        215#
+   9   79   70  149 Yb    x  -33330#        300#         7927#         2#      B-      *                  148 964219#        322#
+0 42   96   54  150 Xe    x  -28990#        300#         7983#         2#      B-   9180#       500#      149 968878#        322#
+  40   95   55  150 Cs    x  -38170#        400#         8039#         3#      B-  11720#       400#      149 959023#        429#
+  38   94   56  150 Ba    x  -49889.799       5.682      8111.8405     0.0379  B-   6421.3477     6.2138  149 946441.100       6.100
+  36   93   57  150 La    x  -56311.147       2.515      8149.4339     0.0168  B-   8535.7155    11.9641  149 939547.500       2.700
+  34   92   58  150 Ce       -64846.863      11.697      8201.1230     0.0780  B-   3453.6462    14.2913  149 930384.032      12.556
+  32   91   59  150 Pr       -68300.509       9.015      8218.9316     0.0601  B-   5379.4422     9.0682  149 926676.391       9.677
+  30   90   60  150 Nd       -73679.951       1.129      8249.5789     0.0075  B-    -82.6155    20.0010  149 920901.322       1.211
+  28   89   61  150 Pm    +  -73597.336      20.031      8243.8125     0.1335  B-   3454.0000    20.0000  149 920990.014      21.504
+  26   88   62  150 Sm       -77051.336       1.112      8261.6235     0.0074  B-  -2258.9662     6.1803  149 917281.993       1.193
+  24   87   63  150 Eu       -74792.369       6.231      8241.3481     0.0415  B-    971.6815     3.5428  149 919707.092       6.688
+  22   86   64  150 Gd       -75764.051       6.055      8242.6103     0.0404  B-  -4658.2621     8.3784  149 918663.949       6.500
+  20   85   65  150 Tb       -71105.789       7.371      8206.3396     0.0491  B-  -1796.1707     8.3886  149 923664.799       7.912
+  18   84   66  150 Dy       -69309.618       4.319      8189.1495     0.0288  B-  -7363.7264    14.4629  149 925593.068       4.636
+  16   83   67  150 Ho       -61945.892      14.168      8134.8423     0.0945  B-  -4114.5689    13.5910  149 933498.353      15.209
+  14   82   68  150 Er       -57831.323      17.194      8102.1962     0.1146  B- -11340#       196#      149 937915.524      18.458
+  12   81   69  150 Tm    x  -46491#        196#         8021#         1#      B-  -7661#       358#      149 950090#        210#
+  10   80   70  150 Yb    x  -38830#        300#         7965#         2#      B- -14059#       424#      149 958314#        322#
+   8   79   71  150 Lu   -p  -24771#        300#         7866#         2#      B-      *                  149 973407#        322#
+0 41   96   55  151 Cs    x  -34280#        500#         8013#         3#      B-  10660#       640#      150 963199#        537#
+  39   95   56  151 Ba    x  -44940#        400#         8079#         3#      B-   8370#       591#      150 951755#        429#
+  37   94   57  151 La    x  -53310.339     435.473      8129.0436     2.8839  B-   7914.7191   435.8330  150 942769.000     467.500
+  35   93   58  151 Ce    x  -61225.058      17.698      8176.2779     0.1172  B-   5554.6233    21.1885  150 934272.200      19.000
+  33   92   59  151 Pr       -66779.681      11.650      8207.8824     0.0772  B-   4163.5021    11.6789  150 928309.066      12.506
+  31   91   60  151 Nd       -70943.183       1.133      8230.2741     0.0075  B-   2443.0767     4.4734  150 923839.363       1.215
+  29   90   61  151 Pm       -73386.260       4.611      8241.2723     0.0305  B-   1190.2198     4.4757  150 921216.613       4.949
+  27   89   62  151 Sm       -74576.480       1.110      8243.9735     0.0074  B-     76.6182     0.5375  150 919938.859       1.191
+  25   88   63  151 Eu       -74653.098       1.166      8239.2998     0.0077  B-   -464.1779     2.7791  150 919856.606       1.251
+  23   87   64  151 Gd       -74188.920       2.993      8231.0446     0.0198  B-  -2565.3796     3.7615  150 920354.922       3.212
+  21   86   65  151 Tb       -71623.541       4.094      8208.8743     0.0271  B-  -2871.1525     4.9455  150 923108.970       4.395
+  19   85   66  151 Dy   -a  -68752.388       3.247      8184.6789     0.0215  B-  -5129.6421     8.7507  150 926191.279       3.486
+  17   84   67  151 Ho   -a  -63622.746       8.298      8145.5267     0.0550  B-  -5356.4558    18.4420  150 931698.176       8.908
+  15   83   68  151 Er    x  -58266.290      16.470      8104.8723     0.1091  B-  -7494.6768    25.4292  150 937448.567      17.681
+  13   82   69  151 Tm       -50771.613      19.375      8050.0576     0.1283  B-  -9229.2615   300.1329  150 945494.433      20.799
+  11   81   70  151 Yb   ep  -41542.352     300.492      7983.7556     1.9900  B- -11242#       425#      150 955402.453     322.591
+   9   80   71  151 Lu   -p  -30300#        300#         7904#         2#      B-      *                  150 967471#        322#
+0 42   97   55  152 Cs    x  -29130#        500#         7980#         3#      B-  12480#       640#      151 968728#        537#
+  40   96   56  152 Ba    x  -41610#        400#         8057#         3#      B-   7680#       500#      151 955330#        429#
+  38   95   57  152 La    x  -49290#        300#         8102#         2#      B-   9690#       361#      151 947085#        322#
+  36   94   58  152 Ce    x  -58980#        200#         8161#         1#      B-   4778#       201#      151 936682#        215#
+  34   93   59  152 Pr    x  -63758.070      18.537      8187.1049     0.1220  B-   6391.5934    30.7035  151 931552.900      19.900
+  32   92   60  152 Nd       -70149.663      24.476      8224.0078     0.1610  B-   1104.8050    18.5011  151 924691.242      26.276
+  30   91   61  152 Pm       -71254.468      25.904      8226.1293     0.1704  B-   3508.5089    25.8859  151 923505.185      27.809
+  28   90   62  152 Sm       -74762.977       1.016      8244.0645     0.0067  B-  -1874.4774     0.6857  151 919738.646       1.090
+  26   89   63  152 Eu       -72888.500       1.166      8226.5854     0.0077  B-   1818.8037     0.7002  151 921750.980       1.252
+  24   88   64  152 Gd       -74707.304       1.007      8233.4042     0.0066  B-  -3990.0000    40.0000  151 919798.414       1.081
+  22   87   65  152 Tb    -  -70717.304      40.013      8202.0072     0.2632  B-   -599.3405    40.2575  151 924081.855      42.955
+  20   86   66  152 Dy   -a  -70117.963       4.593      8192.9171     0.0302  B-  -6513.3275    13.3176  151 924725.274       4.930
+  18   85   67  152 Ho       -63604.636      12.528      8144.9193     0.0824  B-  -3104.4174     9.8150  151 931717.618      13.449
+  16   84   68  152 Er       -60500.218       8.830      8119.3485     0.0581  B-  -8779.9397    54.7434  151 935050.347       9.478
+  14   83   69  152 Tm       -51720.279      54.027      8056.4387     0.3554  B-  -5449.8923   139.6200  151 944476.000      58.000
+  12   82   70  152 Yb       -46270.386     149.708      8015.4371     0.9849  B- -12848#       246#      151 950326.699     160.718
+  10   81   71  152 Lu    x  -33422#        196#         7926#         1#      B-      *                  151 964120#        210#
+0 41   97   56  153 Ba    x  -36470#        400#         8023#         3#      B-   9590#       500#      152 960848#        429#
+  39   96   57  153 La    x  -46060#        300#         8081#         2#      B-   8850#       361#      152 950553#        322#
+  37   95   58  153 Ce    x  -54910#        200#         8134#         1#      B-   6659#       201#      152 941052#        215#
+  35   94   59  153 Pr       -61568.490      11.882      8172.0371     0.0777  B-   5761.8901    12.1896  152 933903.511      12.755
+  33   93   60  153 Nd       -67330.380       2.747      8204.5832     0.0180  B-   3317.6236     9.3521  152 927717.868       2.949
+  31   92   61  153 Pm       -70648.003       9.063      8221.1536     0.0592  B-   1912.0559     9.0829  152 924156.252       9.729
+  29   91   62  153 Sm   -n  -72560.059       1.025      8228.5373     0.0067  B-    807.4073     0.7063  152 922103.576       1.100
+  27   90   63  153 Eu       -73367.466       1.171      8228.7011     0.0077  B-   -484.5225     0.7150  152 921236.789       1.257
+  25   89   64  153 Gd       -72882.944       1.002      8220.4209     0.0066  B-  -1569.3340     3.8444  152 921756.945       1.075
+  23   88   65  153 Tb       -71313.610       3.947      8205.0504     0.0258  B-  -2170.4134     1.9335  152 923441.694       4.237
+  21   87   66  153 Dy       -69143.197       4.001      8185.7514     0.0262  B-  -4131.1229     6.1571  152 925771.729       4.295
+  19   86   67  153 Ho   -a  -65012.074       5.066      8153.6372     0.0331  B-  -4545.3918     9.8899  152 930206.671       5.438
+  17   85   68  153 Er       -60466.682       9.285      8118.8154     0.0607  B-  -6494.0723    12.8812  152 935086.350       9.967
+  15   84   69  153 Tm       -53972.610      11.979      8071.2571     0.0783  B-  -6813#       201#      152 942058.023      12.860
+  13   83   70  153 Yb    x  -47160#        200#         8022#         1#      B-  -8784#       250#      152 949372#        215#
+  11   82   71  153 Lu   +a  -38375.462     150.017      7959.0882     0.9805  B- -11075#       335#      152 958802.248     161.050
+   9   81   72  153 Hf    x  -27300#        300#         7882#         2#      B-      *                  152 970692#        322#
+0 42   98   56  154 Ba    x  -32920#        500#         8001#         3#      B-   8610#       583#      153 964659#        537#
+  40   97   57  154 La    x  -41530#        300#         8051#         2#      B-  10690#       361#      153 955416#        322#
+  38   96   58  154 Ce    x  -52220#        200#         8116#         1#      B-   5640#       224#      153 943940#        215#
+  36   95   59  154 Pr    +  -57859.602     100.005      8147.2994     0.6494  B-   7720.0000   100.0000  153 937885.165     107.360
+  34   94   60  154 Nd    x  -65579.602       1.025      8192.3491     0.0067  B-   2687.0000    25.0000  153 929597.404       1.100
+  32   93   61  154 Pm    -  -68266.602      25.021      8204.7170     0.1625  B-   4188.9614    25.0550  153 926712.791      26.861
+  30   92   62  154 Sm       -72455.564       1.305      8226.8379     0.0085  B-   -717.1969     1.1019  153 922215.756       1.400
+  28   91   63  154 Eu       -71738.367       1.188      8217.1006     0.0077  B-   1967.9913     0.7535  153 922985.699       1.275
+  26   90   64  154 Gd       -73706.358       0.994      8224.7996     0.0065  B-  -3549.6514    45.2983  153 920872.974       1.066
+  24   89   65  154 Tb    -  -70156.707      45.309      8196.6697     0.2942  B-    237.3080    45.9008  153 924683.681      48.641
+  22   88   66  154 Dy       -70394.015       7.431      8193.1305     0.0483  B-  -5754.6363    10.1785  153 924428.920       7.977
+  20   87   67  154 Ho   -a  -64639.378       8.216      8150.6825     0.0534  B-  -2034.4045     9.4621  153 930606.776       8.820
+  18   86   68  154 Er       -62604.974       4.961      8132.3919     0.0322  B-  -8177.8316    14.9113  153 932790.799       5.325
+  16   85   69  154 Tm   -a  -54427.142      14.412      8074.2090     0.0936  B-  -4495.0495    13.9528  153 941570.062      15.471
+  14   84   70  154 Yb       -49932.093      17.281      8039.9402     0.1122  B- -10265#       201#      153 946395.696      18.551
+  12   83   71  154 Lu   +a  -39667#        201#         7968#         1#      B-  -6937#       361#      153 957416#        216#
+  10   82   72  154 Hf    x  -32730#        300#         7918#         2#      B-      *                  153 964863#        322#
+0 41   98   57  155 La    x  -37930#        400#         8028#         3#      B-   9850#       500#      154 959280#        429#
+  39   97   58  155 Ce    x  -47780#        300#         8087#         2#      B-   7635#       300#      154 948706#        322#
+  37   96   59  155 Pr       -55415.335      17.198      8131.0398     0.1110  B-   6868.4609    19.4725  154 940509.193      18.462
+  35   95   60  155 Nd       -62283.796       9.154      8170.3050     0.0591  B-   4656.2095    10.2781  154 933135.598       9.826
+  33   94   61  155 Pm       -66940.006       4.719      8195.2977     0.0304  B-   3251.1999     4.9024  154 928136.951       5.065
+  31   93   62  155 Sm   -n  -70191.206       1.332      8211.2258     0.0086  B-   1627.1314     1.2016  154 924646.645       1.429
+  29   92   63  155 Eu       -71818.337       1.252      8216.6760     0.0081  B-    251.9612     0.8682  154 922899.847       1.343
+  27   91   64  155 Gd       -72070.298       0.983      8213.2541     0.0063  B-   -819.8588     9.7884  154 922629.356       1.055
+  25   90   65  155 Tb    +  -71250.439       9.830      8202.9173     0.0634  B-  -2094.5000     1.8974  154 923509.511      10.552
+  23   89   66  155 Dy       -69155.939       9.645      8184.3570     0.0622  B-  -3116.1405    16.5887  154 925758.049      10.354
+  21   88   67  155 Ho       -66039.799      17.470      8159.2055     0.1127  B-  -3830.6268    18.4730  154 929103.363      18.754
+  19   87   68  155 Er   -a  -62209.172       6.074      8129.4444     0.0392  B-  -5583.2509    11.5109  154 933215.710       6.520
+  17   86   69  155 Tm   -a  -56625.921       9.921      8088.3760     0.0640  B-  -6123.3072    19.3388  154 939209.576      10.651
+  15   85   70  155 Yb   -a  -50502.614      16.600      8043.8234     0.1071  B-  -7957.5578    25.4153  154 945783.216      17.820
+  13   84   71  155 Lu       -42545.056      19.245      7987.4369     0.1242  B-  -8235#       301#      154 954326.005      20.660
+  11   83   72  155 Hf    x  -34310#        300#         7929#         2#      B- -10322#       424#      154 963167#        322#
+   9   82   73  155 Ta   -p  -23988#        300#         7858#         2#      B-      *                  154 974248#        322#
+0 42   99   57  156 La    x  -33050#        400#         7997#         3#      B-  11769#       500#      155 964519#        429#
+  40   98   58  156 Ce    x  -44820#        300#         8068#         2#      B-   6630#       300#      155 951884#        322#
+  38   97   59  156 Pr    x  -51449.307       1.025      8105.2337     0.0066  B-   8752.8229     1.6585  155 944766.900       1.100
+  36   96   60  156 Nd    x  -60202.130       1.304      8156.3265     0.0084  B-   3964.7175     1.7642  155 935370.358       1.400
+  34   95   61  156 Pm       -64166.847       1.188      8176.7263     0.0076  B-   5193.8878     8.6044  155 931114.059       1.275
+  32   94   62  156 Sm       -69360.735       8.522      8205.0054     0.0546  B-    722.1090     7.9025  155 925538.191       9.148
+  30   93   63  156 Eu       -70082.844       3.532      8204.6192     0.0226  B-   2452.4891     3.4083  155 924762.976       3.791
+  28   92   64  156 Gd       -72535.333       0.983      8215.3253     0.0063  B-  -2444.3230     3.6774  155 922130.120       1.054
+  26   91   65  156 Tb       -70091.010       3.768      8194.6415     0.0242  B-    438.3762     3.6789  155 924754.209       4.044
+  24   90   66  156 Dy       -70529.386       0.988      8192.4366     0.0063  B-  -4990.9836    38.4111  155 924283.593       1.060
+  22   89   67  156 Ho    -  -65538.403      38.424      8155.4280     0.2463  B-  -1326.7201    45.6391  155 929641.634      41.249
+  20   88   68  156 Er       -64211.683      24.629      8141.9084     0.1579  B-  -7377.2657    26.7099  155 931065.926      26.440
+  18   87   69  156 Tm       -56834.417      14.279      8089.6032     0.0915  B-  -3568.8794    12.5484  155 938985.746      15.328
+  16   86   70  156 Yb       -53265.538       9.308      8061.7107     0.0597  B-  -9565.9880    54.9162  155 942817.096       9.992
+  14   85   71  156 Lu   -a  -43699.550      54.122      7995.3752     0.3469  B-  -5880.0352   139.6908  155 953086.606      58.102
+  12   84   72  156 Hf       -37819.514     149.740      7952.6676     0.9599  B- -11819#       335#      155 959399.083     160.752
+  10   83   73  156 Ta   -p  -26001#        300#         7872#         2#      B-      *                  155 972087#        322#
+0 43  100   57  157 La    x  -29070#        300#         7972#         2#      B-  10860#       500#      156 968792#        322#
+  41   99   58  157 Ce    x  -39930#        400#         8037#         3#      B-   8504#       400#      156 957133#        429#
+  39   98   59  157 Pr    x  -48434.806       3.167      8085.8170     0.0202  B-   8059.3109     3.8207  156 948003.100       3.400
+  37   97   60  157 Nd       -56494.117       2.137      8132.1671     0.0136  B-   5802.9994     7.3246  156 939351.074       2.294
+  35   96   61  157 Pm       -62297.116       7.006      8164.1458     0.0446  B-   4380.5376     8.2650  156 933121.298       7.521
+  33   95   62  157 Sm       -66677.654       4.434      8187.0642     0.0282  B-   2781.4807     6.1191  156 928418.598       4.759
+  31   94   63  157 Eu       -69459.134       4.234      8199.7975     0.0270  B-   1364.7614     4.1973  156 925432.556       4.545
+  29   93   64  157 Gd       -70823.896       0.977      8203.5072     0.0062  B-    -60.0473     0.2972  156 923967.424       1.048
+  27   92   65  157 Tb       -70763.848       1.018      8198.1416     0.0065  B-  -1339.1791     5.1297  156 924031.888       1.092
+  25   91   66  157 Dy       -69424.669       5.154      8184.6287     0.0328  B-  -2591.8068    23.7839  156 925469.555       5.532
+  23   90   67  157 Ho       -66832.862      23.469      8163.1373     0.1495  B-  -3419.2146    33.6675  156 928251.974      25.194
+  21   89   68  157 Er       -63413.648      26.505      8136.3757     0.1688  B-  -4704.3690    38.5152  156 931922.652      28.454
+  19   88   69  157 Tm    x  -58709.279      27.945      8101.4285     0.1780  B-  -5289.3667    29.9971  156 936973.000      30.000
+  17   87   70  157 Yb       -53419.912      10.905      8062.7551     0.0695  B-  -6980.0942    14.2406  156 942651.368      11.706
+  15   86   71  157 Lu       -46439.818      12.074      8013.3128     0.0769  B-  -7585#       201#      156 950144.807      12.961
+  13   85   72  157 Hf   -a  -38855#        200#         7960#         1#      B-  -9259#       250#      156 958288#        215#
+  11   84   73  157 Ta   IT  -29595.948     150.052      7896.0608     0.9557  B-  -9906#       427#      156 968227.445     161.087
+   9   83   74  157 W     x  -19690#        400#         7828#         3#      B-      *                  156 978862#        429#
+0 42  100   58  158 Ce    x  -36540#        400#         8015#         3#      B-   7610#       500#      157 960773#        429#
+  40   99   59  158 Pr    x  -44150#        300#         8059#         2#      B-   9685#       300#      157 952603#        322#
+  38   98   60  158 Nd    x  -53835.123       1.304      8114.9529     0.0083  B-   5271.0196     1.5776  157 942205.620       1.400
+  36   97   61  158 Pm       -59106.143       0.888      8143.3622     0.0056  B-   6145.7062     4.8634  157 936546.948       0.953
+  34   96   62  158 Sm       -65251.849       4.782      8177.3075     0.0303  B-   2018.6123     5.1146  157 929949.262       5.133
+  32   95   63  158 Eu       -67270.461       2.032      8185.1320     0.0129  B-   3419.5081     2.2547  157 927782.192       2.181
+  30   94   64  158 Gd       -70689.969       0.976      8201.8229     0.0062  B-  -1219.0862     0.9799  157 924111.200       1.048
+  28   93   65  158 Tb       -69470.883       1.268      8189.1556     0.0080  B-    936.2686     2.4750  157 925419.942       1.360
+  26   92   66  158 Dy       -70407.152       2.337      8190.1298     0.0148  B-  -4219.7555    27.0048  157 924414.817       2.509
+  24   91   67  158 Ho    -  -66187.396      27.106      8158.4709     0.1716  B-   -883.5812    37.0236  157 928944.910      29.099
+  22   90   68  158 Er       -65303.815      25.219      8147.9270     0.1596  B-  -6600.6151    31.3411  157 929893.474      27.074
+  20   89   69  158 Tm       -58703.200      25.219      8101.1994     0.1596  B-  -2693.5796    26.4499  157 936979.525      27.074
+  18   88   70  158 Yb       -56009.620       7.973      8079.1999     0.0505  B-  -8797.4201    16.8655  157 939871.202       8.559
+  16   87   71  158 Lu   -a  -47212.200      15.125      8018.5685     0.0957  B-  -5109.8010    14.9373  157 949315.620      16.236
+  14   86   72  158 Hf       -42102.399      17.494      7981.2764     0.1107  B- -10984#       201#      157 954801.217      18.780
+  12   85   73  158 Ta   +a  -31118#        201#         7907#         1#      B-  -7426#       361#      157 966593#        215#
+  10   84   74  158 W    -a  -23693#        300#         7855#         2#      B-      *                  157 974565#        322#
+0 43  101   58  159 Ce    x  -31340#        500#         7983#         3#      B-   9430#       640#      158 966355#        537#
+  41  100   59  159 Pr    x  -40770#        400#         8037#         3#      B-   8954#       401#      158 956232#        429#
+  39   99   60  159 Nd    x  -49724.007      29.808      8088.8224     0.1875  B-   6830.3441    31.4529  158 946619.085      32.000
+  37   98   61  159 Pm       -56554.351      10.039      8126.8601     0.0631  B-   5653.4982    11.6438  158 939286.409      10.777
+  35   97   62  159 Sm       -62207.849       5.934      8157.4963     0.0373  B-   3835.5363     7.3211  158 933217.130       6.370
+  33   96   63  159 Eu       -66043.386       4.320      8176.6987     0.0272  B-   2518.4717     4.3657  158 929099.512       4.637
+  31   95   64  159 Gd       -68561.857       0.980      8187.6177     0.0062  B-    970.7242     0.7495  158 926395.822       1.051
+  29   94   65  159 Tb       -69532.582       1.103      8188.8025     0.0069  B-   -365.3613     1.1573  158 925353.707       1.184
+  27   93   66  159 Dy       -69167.220       1.439      8181.5842     0.0091  B-  -1837.6000     2.6833  158 925745.938       1.544
+  25   92   67  159 Ho    -  -67329.620       3.045      8165.1066     0.0192  B-  -2768.5000     2.0000  158 927718.683       3.268
+  23   91   68  159 Er    -  -64561.120       3.643      8142.7742     0.0229  B-  -3990.7162    28.1813  158 930690.790       3.910
+  21   90   69  159 Tm    x  -60570.404      27.945      8112.7549     0.1758  B-  -4736.8869    33.0155  158 934975.000      30.000
+  19   89   70  159 Yb    x  -55833.517      17.582      8078.0428     0.1106  B-  -6124.9081    41.5648  158 940060.257      18.874
+  17   88   71  159 Lu    x  -49708.609      37.663      8034.6009     0.2369  B-  -6856.0030    41.2456  158 946635.615      40.433
+  15   87   72  159 Hf   -a  -42852.606      16.813      7986.5610     0.1057  B-  -8413.4492    25.8909  158 953995.837      18.049
+  13   86   73  159 Ta   IT  -34439.157      19.689      7928.7258     0.1238  B-  -9005#       301#      158 963028.046      21.137
+  11   85   74  159 W    -a  -25434#        300#         7867#         2#      B- -10629#       427#      158 972696#        322#
+   9   84   75  159 Re   IT  -14805#        305#         7795#         2#      B-      *                  158 984106#        327#
+0 42  101   59  160 Pr    x  -36200#        400#         8009#         2#      B-  10525#       402#      159 961138#        429#
+  40  100   60  160 Nd    x  -46724.515      46.575      8069.9662     0.2911  B-   6170.1238    46.6198  159 949839.172      50.000
+  38   99   61  160 Pm    x  -52894.639       2.049      8103.6398     0.0128  B-   7338.5338     2.8330  159 943215.272       2.200
+  36   98   62  160 Sm    x  -60233.172       1.956      8144.6159     0.0122  B-   3260.2763     2.1547  159 935337.032       2.100
+  34   97   63  160 Eu    x  -63493.449       0.904      8160.1030     0.0057  B-   4448.6112     1.4417  159 931836.982       0.970
+  32   96   64  160 Gd       -67942.060       1.123      8183.0171     0.0070  B-   -105.5863     1.0207  159 927061.202       1.206
+  30   95   65  160 Tb       -67836.474       1.110      8177.4676     0.0069  B-   1835.9516     1.1011  159 927174.553       1.191
+  28   94   66  160 Dy       -69672.425       0.700      8184.0526     0.0044  B-  -3290.0000    15.0000  159 925203.578       0.751
+  26   93   67  160 Ho    -  -66382.425      15.016      8158.6004     0.0939  B-   -318.2488    28.5197  159 928735.538      16.120
+  24   92   68  160 Er       -66064.176      24.246      8151.7217     0.1515  B-  -5763.1395    39.1333  159 929077.193      26.029
+  22   91   69  160 Tm       -60301.037      32.686      8110.8124     0.2043  B-  -2137.8101    33.1447  159 935264.177      35.089
+  20   90   70  160 Yb    x  -58163.227       5.496      8092.5614     0.0343  B-  -7893.2846    57.0863  159 937559.210       5.900
+  18   89   71  160 Lu    x  -50269.942      56.821      8038.3387     0.3551  B-  -4331.1951    57.6165  159 946033.000      61.000
+  16   88   72  160 Hf       -45938.747       9.540      8006.3791     0.0596  B- -10115.0475    55.1472  159 950682.728      10.241
+  14   87   73  160 Ta   -a  -35823.700      54.316      7938.2704     0.3395  B-  -6494.6267   139.8413  159 961541.678      58.310
+  12   86   74  160 W        -29329.073     149.810      7892.7893     0.9363  B- -12451#       335#      159 968513.946     160.828
+  10   85   75  160 Re   -a  -16878#        300#         7810#         2#      B-      *                  159 981880#        322#
+0 43  102   59  161 Pr    x  -32490#        500#         7986#         3#      B-   9741#       640#      160 965121#        537#
+  41  101   60  161 Nd    x  -42230#        400#         8042#         2#      B-   7856#       400#      160 954664#        429#
+  39  100   61  161 Pm    x  -50086.589       9.035      8085.9977     0.0561  B-   6585.4546    11.3187  160 946229.837       9.700
+  37   99   62  161 Sm       -56672.043       6.817      8122.0418     0.0423  B-   5119.5577    12.4147  160 939160.062       7.318
+  35   98   63  161 Eu       -61791.601      10.400      8148.9810     0.0646  B-   3714.5406    10.5074  160 933663.991      11.164
+  33   97   64  161 Gd   -n  -65506.142       1.504      8167.1934     0.0093  B-   1955.6357     1.4402  160 929676.267       1.614
+  31   96   65  161 Tb       -67461.778       1.218      8174.4809     0.0076  B-    593.7166     1.2010  160 927576.806       1.308
+  29   95   66  161 Dy       -68055.494       0.697      8173.3093     0.0043  B-   -859.2003     2.1368  160 926939.425       0.748
+  27   94   67  161 Ho       -67196.294       2.151      8163.1134     0.0134  B-  -1994.9954     9.0041  160 927861.815       2.309
+  25   93   68  161 Er   +n  -65201.298       8.774      8145.8628     0.0545  B-  -3302.5839    29.2899  160 930003.530       9.419
+  23   92   69  161 Tm    x  -61898.715      27.945      8120.4906     0.1736  B-  -4064.4665    31.7640  160 933549.000      30.000
+  21   91   70  161 Yb    x  -57834.248      15.101      8090.3861     0.0938  B-  -5271.8989    31.7640  160 937912.384      16.211
+  19   90   71  161 Lu    x  -52562.349      27.945      8052.7821     0.1736  B-  -6246.5319    36.4805  160 943572.000      30.000
+  17   89   72  161 Hf       -46315.817      23.450      8009.1245     0.1457  B-  -7537.2421    33.7278  160 950277.927      25.174
+  15   88   73  161 Ta   +a  -38778.575      24.381      7957.4500     0.1514  B-  -8272#       202#      160 958369.489      26.174
+  13   87   74  161 W    -a  -30507#        200#         7901#         1#      B-  -9664#       250#      160 967249#        215#
+  11   86   75  161 Re       -20842.820     149.905      7836.3292     0.9311  B- -10647#       427#      160 977624.313     160.930
+   9   85   76  161 Os   -a  -10196#        400#         7765#         2#      B-      *                  160 989054#        429#
+0 42  102   60  162 Nd    x  -39010#        400#         8022#         2#      B-   7030#       500#      161 958121#        429#
+  40  101   61  162 Pm    x  -46040#        300#         8061#         2#      B-   8339#       300#      161 950574#        322#
+  38  100   62  162 Sm       -54379.053       3.523      8107.5745     0.0218  B-   4343.8905     3.7605  161 941621.687       3.782
+  36   99   63  162 Eu       -58722.944       1.314      8129.5593     0.0081  B-   5557.7761     4.1748  161 936958.329       1.410
+  34   98   64  162 Gd  -nn  -64280.720       3.963      8159.0373     0.0245  B-   1598.8278     4.4611  161 930991.812       4.254
+  32   97   65  162 Tb    x  -65879.548       2.049      8164.0773     0.0127  B-   2301.6217     2.1640  161 929275.400       2.200
+  30   96   66  162 Dy       -68181.169       0.695      8173.4555     0.0043  B-  -2140.6068     3.0926  161 926804.507       0.746
+  28   95   67  162 Ho       -66040.563       3.102      8155.4126     0.0192  B-    293.6478     3.1069  161 929102.543       3.330
+  26   94   68  162 Er       -66334.210       0.756      8152.3959     0.0047  B-  -4856.7282    26.0475  161 928787.299       0.811
+  24   93   69  162 Tm    -  -61477.482      26.058      8117.5868     0.1609  B-  -1656.3190    30.1127  161 934001.211      27.974
+  22   92   70  162 Yb    x  -59821.163      15.103      8102.5333     0.0932  B-  -6989.4042    76.5406  161 935779.342      16.213
+  20   91   71  162 Lu    x  -52831.759      75.036      8054.5596     0.4632  B-  -3663.3333    75.5679  161 943282.776      80.554
+  18   90   72  162 Hf       -49168.426       8.952      8027.1171     0.0553  B-  -9387.0211    63.8938  161 947215.526       9.610
+  16   89   73  162 Ta   -a  -39781.405      63.322      7964.3432     0.3909  B-  -5782.1880    63.3235  161 957292.907      67.979
+  14   88   74  162 W        -33999.217      17.657      7923.8214     0.1090  B- -11546#       201#      161 963500.341      18.955
+  12   87   75  162 Re   +a  -22453#        201#         7848#         1#      B-  -7953#       361#      161 975896#        215#
+  10   86   76  162 Os   -a  -14500#        300#         7794#         2#      B-      *                  161 984434#        322#
+0 43  103   60  163 Nd    x  -34080#        500#         7992#         3#      B-   8880#       640#      162 963414#        537#
+  41  102   61  163 Pm    x  -42960#        400#         8042#         2#      B-   7640#       400#      162 953881#        429#
+  39  101   62  163 Sm    x  -50599.612       7.359      8084.1653     0.0451  B-   5974.2073     7.4141  162 945679.085       7.900
+  37  100   63  163 Eu    x  -56573.819       0.904      8116.0172     0.0056  B-   4814.7720     1.2046  162 939265.510       0.970
+  35   99   64  163 Gd       -61388.591       0.797      8140.7560     0.0049  B-   3207.1628     4.1374  162 934096.640       0.855
+  33   98   65  163 Tb   +p  -64595.754       4.060      8155.6322     0.0249  B-   1785.1041     4.0006  162 930653.609       4.358
+  31   97   66  163 Dy       -66380.858       0.693      8161.7840     0.0043  B-     -2.8309     0.0222  162 928737.221       0.744
+  29   96   67  163 Ho       -66378.027       0.693      8156.9670     0.0043  B-  -1210.6141     4.5755  162 928740.260       0.744
+  27   95   68  163 Er       -65167.413       4.628      8144.7403     0.0284  B-  -2439.0000     3.0000  162 930039.908       4.967
+  25   94   69  163 Tm    -  -62728.413       5.515      8124.9774     0.0338  B-  -3434.5345    16.0687  162 932658.282       5.920
+  23   93   70  163 Yb    x  -59293.878      15.105      8099.1069     0.0927  B-  -4502.4636    31.7657  162 936345.406      16.215
+  21   92   71  163 Lu    x  -54791.415      27.945      8066.6848     0.1714  B-  -5522.0944    37.9611  162 941179.000      30.000
+  19   91   72  163 Hf       -49269.320      25.693      8028.0072     0.1576  B-  -6734.6864    45.9217  162 947107.211      27.582
+  17   90   73  163 Ta   -a  -42534.634      38.061      7981.8905     0.2335  B-  -7626.1952    69.7301  162 954337.194      40.860
+  15   89   74  163 W    -a  -34908.439      58.426      7930.3043     0.3584  B-  -8906.1859    61.2953  162 962524.251      62.722
+  13   88   75  163 Re   +a  -26002.253      18.534      7870.8655     0.1137  B-  -9666#       301#      162 972085.434      19.897
+  11   87   76  163 Os   -a  -16336#        300#         7807#         2#      B- -11026#       500#      162 982462#        322#
+   9   86   77  163 Ir    x   -5310#        400#         7734#         2#      B-      *                  162 994299#        429#
+0 42  103   61  164 Pm    x  -38360#        400#         8014#         2#      B-   9565#       400#      163 958819#        429#
+  40  102   62  164 Sm    x  -47925.314       4.099      8067.7803     0.0250  B-   5306.8315     4.5907  163 948550.061       4.400
+  38  101   63  164 Eu       -53232.146       2.068      8095.3686     0.0126  B-   6461.5416     2.2969  163 942852.943       2.219
+  36  100   64  164 Gd       -59693.688       1.000      8129.9978     0.0061  B-   2411.2959     2.1143  163 935916.193       1.073
+  34   99   65  164 Tb    x  -62104.983       1.863      8139.9304     0.0114  B-   3862.6653     1.9884  163 933327.561       2.000
+  32   98   66  164 Dy       -65967.649       0.695      8158.7129     0.0042  B-   -987.1315     1.3710  163 929180.819       0.746
+  30   97   67  164 Ho       -64980.517       1.390      8147.9234     0.0085  B-    962.0559     1.3756  163 930240.548       1.492
+  28   96   68  164 Er       -65942.573       0.704      8149.0191     0.0043  B-  -4033.6302    25.0113  163 929207.739       0.755
+  26   95   69  164 Tm       -61908.943      25.006      8119.6534     0.1525  B-   -896.7722    29.2135  163 933538.019      26.845
+  24   94   70  164 Yb    x  -61012.171      15.106      8109.4149     0.0921  B-  -6369.7952    31.7666  163 934500.743      16.217
+  22   93   71  164 Lu    x  -54642.376      27.945      8065.8043     0.1704  B-  -2824.0194    32.1083  163 941339.000      30.000
+  20   92   72  164 Hf       -51818.356      15.812      8043.8142     0.0964  B-  -8535.5511    32.1083  163 944370.709      16.975
+  18   91   73  164 Ta    x  -43282.805      27.945      7986.9978     0.1704  B-  -5047.2500    29.5717  163 953534.000      30.000
+  16   90   74  164 W        -38235.555       9.673      7951.4515     0.0590  B- -10763.1138    55.4055  163 958952.445      10.384
+  14   89   75  164 Re   -a  -27472.441      54.555      7881.0523     0.3326  B-  -7047.7180   140.0330  163 970507.122      58.566
+  12   88   76  164 Os       -20424.723     149.903      7833.3080     0.9140  B- -12941#       350#      163 978073.158     160.927
+  10   87   77  164 Ir   -a   -7483#        316#         7750#         2#      B-      *                  163 991966#        339#
+0 43  104   61  165 Pm    x  -34670#        500#         7992#         3#      B-   8840#       640#      164 962780#        537#
+  41  103   62  165 Sm    x  -43510#        400#         8041#         2#      B-   7219#       400#      164 953290#        429#
+  39  102   63  165 Eu       -50729.103       5.213      8080.0529     0.0316  B-   5796.6788     5.3733  164 945540.070       5.596
+  37  101   64  165 Gd       -56525.782       1.304      8110.4428     0.0079  B-   4063.0674     2.0189  164 939317.080       1.400
+  35  100   65  165 Tb       -60588.849       1.541      8130.3259     0.0093  B-   3023.4392     1.6915  164 934955.198       1.654
+  33   99   66  165 Dy   -n  -63612.289       0.697      8143.9083     0.0042  B-   1285.7287     0.7502  164 931709.402       0.748
+  31   98   67  165 Ho       -64898.017       0.786      8146.9591     0.0048  B-   -376.6648     0.9575  164 930329.116       0.844
+  29   97   68  165 Er       -64521.353       0.918      8139.9348     0.0056  B-  -1591.3282     1.4891  164 930733.482       0.985
+  27   96   69  165 Tm       -62930.024       1.658      8125.5489     0.0101  B-  -2634.6364    26.5907  164 932441.843       1.779
+  25   95   70  165 Yb       -60295.388      26.539      8104.8399     0.1608  B-  -3853.1403    35.4324  164 935270.241      28.490
+  23   94   71  165 Lu       -56442.248      26.539      8076.7460     0.1608  B-  -4806.7350    38.5387  164 939406.758      28.490
+  21   93   72  165 Hf    x  -51635.513      27.945      8042.8728     0.1694  B-  -5787.6410    31.0668  164 944567.000      30.000
+  19   92   73  165 Ta       -45847.872      13.573      8003.0547     0.0823  B-  -6986.5555    29.1133  164 950780.287      14.571
+  17   91   74  165 W        -38861.316      25.756      7955.9704     0.1561  B-  -8201.9627    34.9116  164 958280.663      27.649
+  15   90   75  165 Re   +a  -30659.353      23.593      7901.5201     0.1430  B-  -8913#       202#      164 967085.831      25.328
+  13   89   76  165 Os   -a  -21747#        200#         7843#         1#      B- -10151#       255#      164 976654#        215#
+  11   88   77  165 Ir   IT  -11595#        158#         7776#         1#      B- -11277#       430#      164 987552#        170#
+   9   87   78  165 Pt   -a    -318#        400#         7703#         2#      B-      *                  164 999658#        429#
+0 42  104   62  166 Sm    x  -40450#        400#         8023#         2#      B-   6299#       412#      165 956575#        429#
+  40  103   63  166 Eu    +  -46749#        100#         8056#         1#      B-   7622#       100#      165 949813#        107#
+  38  102   64  166 Gd    x  -54370.926       1.584      8097.2260     0.0095  B-   3437.8515     2.1558  165 941630.413       1.700
+  36  101   65  166 Tb       -57808.778       1.463      8113.2230     0.0088  B-   4775.6930     1.6690  165 937939.727       1.570
+  34  100   66  166 Dy   -n  -62584.471       0.804      8137.2793     0.0048  B-    485.8684     0.8502  165 932812.810       0.862
+  32   99   67  166 Ho       -63070.339       0.786      8135.4933     0.0047  B-   1853.8057     0.7792  165 932291.209       0.844
+  30   98   68  166 Er       -64924.145       0.334      8141.9479     0.0020  B-  -3037.6667    11.5470  165 930301.067       0.358
+  28   97   69  166 Tm    -  -61886.478      11.552      8118.9357     0.0696  B-   -292.7714    13.5069  165 933562.136      12.401
+  26   96   70  166 Yb  +nn  -61593.706       7.001      8112.4591     0.0422  B-  -5572.7197    30.6189  165 933876.439       7.515
+  24   95   71  166 Lu    x  -56020.987      29.808      8074.1756     0.1796  B-  -2161.9978    40.8585  165 939859.000      32.000
+  22   94   72  166 Hf    x  -53858.989      27.945      8056.4386     0.1683  B-  -7761.2089    39.5199  165 942180.000      30.000
+  20   93   73  166 Ta    x  -46097.780      27.945      8004.9714     0.1683  B-  -4210.3092    29.5036  165 950512.000      30.000
+  18   92   74  166 W        -41887.471       9.463      7974.8951     0.0570  B- -10050.1358    88.7072  165 955031.952      10.159
+  16   91   75  166 Re   -a  -31837.335      88.242      7909.6392     0.5316  B-  -6405.8090    88.3046  165 965821.216      94.731
+  14   90   76  166 Os       -25431.526      17.966      7866.3371     0.1082  B- -12126#       201#      165 972698.135      19.287
+  12   89   77  166 Ir   -p  -13306#        201#         7789#         1#      B-  -8523#       361#      165 985716#        215#
+  10   88   78  166 Pt   -a   -4783#        300#         7733#         2#      B-      *                  165 994866#        322#
+0 43  105   62  167 Sm    x  -35330#        500#         7992#         3#      B-   8440#       640#      166 962072#        537#
+  41  104   63  167 Eu    x  -43770#        400#         8038#         2#      B-   7006#       400#      166 953011#        429#
+  39  103   64  167 Gd       -50775.732       5.213      8075.5428     0.0312  B-   5107.3505     5.5584  166 945490.012       5.596
+  37  102   65  167 Tb       -55883.082       1.929      8101.4410     0.0116  B-   4028.3686     4.4459  166 940007.046       2.071
+  35  101   66  167 Dy    x  -59911.451       4.005      8120.8782     0.0240  B-   2368.0076     6.5549  166 935682.415       4.300
+  33  100   67  167 Ho  p2n  -62279.459       5.189      8130.3732     0.0311  B-   1009.7971     5.1890  166 933140.254       5.570
+  31   99   68  167 Er       -63289.256       0.286      8131.7352     0.0017  B-   -746.1392     1.2633  166 932056.192       0.306
+  29   98   69  167 Tm       -62543.117       1.258      8122.5826     0.0075  B-  -1953.2162     3.7968  166 932857.206       1.350
+  27   97   70  167 Yb       -60589.900       3.960      8106.2020     0.0237  B-  -3063.6190    37.4696  166 934954.069       4.251
+  25   96   71  167 Lu    x  -57526.281      37.260      8083.1722     0.2231  B-  -4058.5198    46.5747  166 938243.000      40.000
+  23   95   72  167 Hf    x  -53467.761      27.945      8054.1850     0.1673  B-  -5116.6971    39.5199  166 942600.000      30.000
+  21   94   73  167 Ta    x  -48351.064      27.945      8018.8614     0.1673  B-  -6257.8523    33.6262  166 948093.000      30.000
+  19   93   74  167 W        -42093.212      18.703      7976.7045     0.1120  B-  -7259#        44#      166 954811.080      20.078
+  17   92   75  167 Re   +a  -34834#         40#         7929#         0#      B-  -8335#        90#      166 962604#         43#
+  15   91   76  167 Os   -a  -26498.860      80.892      7873.9557     0.4844  B-  -9426.4121    82.9464  166 971552.304      86.841
+  13   90   77  167 Ir       -17072.448      18.346      7812.8254     0.1099  B- -10319#       307#      166 981671.973      19.694
+  11   89   78  167 Pt   -a   -6753#        306#         7746#         2#      B-      *                  166 992750#        329#
+0 44  106   62  168 Sm    x  -31640#        300#         7971#         2#      B-   7610#       500#      167 966033#        322#
+  42  105   63  168 Eu    x  -39250#        400#         8012#         2#      B-   8899#       500#      167 957863#        429#
+  40  104   64  168 Gd    x  -48150#        300#         8060#         2#      B-   4631#       300#      167 948309#        322#
+  38  103   65  168 Tb    x  -52781.181       4.192      8082.7980     0.0250  B-   5777.2167   140.0696  167 943337.074       4.500
+  36  102   66  168 Dy  +pp  -58558.398     140.007      8112.5293     0.8334  B-   1500.8333   143.1849  167 937134.977     150.303
+  34  101   67  168 Ho    +  -60059.231      30.001      8116.8061     0.1786  B-   2930.0000    30.0000  167 935523.766      32.207
+  32  100   68  168 Er       -62989.231       0.262      8129.5897     0.0016  B-  -1676.8526     1.6858  167 932378.282       0.280
+  30   99   69  168 Tm       -61312.379       1.677      8114.9516     0.0100  B-    267.4880     1.6782  167 934178.457       1.800
+  28   98   70  168 Yb       -61579.867       0.093      8111.8870     0.0006  B-  -4507.0351    37.9735  167 933891.297       0.100
+  26   97   71  168 Lu       -57072.832      37.973      8080.4026     0.2260  B-  -1712.2740    47.1476  167 938729.798      40.766
+  24   96   72  168 Hf    x  -55360.557      27.945      8065.5536     0.1663  B-  -6966.6444    39.5199  167 940568.000      30.000
+  22   95   73  168 Ta    x  -48393.913      27.945      8019.4287     0.1663  B-  -3500.9828    30.9307  167 948047.000      30.000
+  20   94   74  168 W        -44892.930      13.259      7993.9327     0.0789  B-  -9098.0411    33.5515  167 951805.459      14.233
+  18   93   75  168 Re   -a  -35794.889      30.821      7935.1208     0.1835  B-  -5799.8944    32.3727  167 961572.607      33.087
+  16   92   76  168 Os       -29994.995       9.903      7895.9408     0.0589  B- -11328.7644    56.0975  167 967799.050      10.631
+  14   91   77  168 Ir   -a  -18666.230      55.216      7823.8509     0.3287  B-  -7656.1526   140.3258  167 979960.978      59.277
+  12   90   78  168 Pt   -a  -11010.078     149.934      7773.6217     0.8925  B- -13540#       427#      167 988180.196     160.960
+  10   89   79  168 Au    x    2530#        400#         7688#         2#      B-      *                  168 002716#        429#
+0 43  106   63  169 Eu    x  -35660#        500#         7991#         3#      B-   8230#       640#      168 961717#        537#
+  41  105   64  169 Gd    x  -43890#        400#         8035#         2#      B-   6590#       500#      168 952882#        429#
+  39  104   65  169 Tb    x  -50480#        300#         8069#         2#      B-   5116#       425#      168 945807#        322#
+  37  103   66  169 Dy    +  -55596.010     300.669      8094.7566     1.7791  B-   3200.0000   300.0000  168 940315.231     322.781
+  35  102   67  169 Ho   +p  -58796.010      20.048      8109.0622     0.1186  B-   2125.1534    20.0483  168 936879.890      21.522
+  33  101   68  169 Er   -n  -60921.163       0.304      8117.0078     0.0018  B-    353.4910     0.7729  168 934598.444       0.326
+  31  100   69  169 Tm       -61274.654       0.738      8114.4702     0.0044  B-   -899.1270     0.7563  168 934218.956       0.792
+  29   99   70  169 Yb   -n  -60375.527       0.178      8104.5206     0.0011  B-  -2293.0000     3.0000  168 935184.208       0.191
+  27   98   71  169 Lu    -  -58082.527       3.005      8086.3233     0.0178  B-  -3365.6321    28.1060  168 937645.845       3.226
+  25   97   72  169 Hf    x  -54716.895      27.945      8061.7791     0.1654  B-  -4426.4600    39.5199  168 941259.000      30.000
+  23   96   73  169 Ta    x  -50290.435      27.945      8030.9577     0.1654  B-  -5372.5686    31.9246  168 946011.000      30.000
+  21   95   74  169 W        -44917.866      15.436      7994.5381     0.0913  B-  -6508.6195    19.1703  168 951778.689      16.571
+  19   94   75  169 Re   +a  -38409.247      11.369      7951.3963     0.0673  B-  -7686.2626    28.3218  168 958765.979      12.204
+  17   93   76  169 Os   -a  -30722.984      25.940      7901.2862     0.1535  B-  -8629.5684    34.8557  168 967017.521      27.847
+  15   92   77  169 Ir   +a  -22093.416      23.307      7845.5944     0.1379  B-  -9629#       202#      168 976281.743      25.020
+  13   91   78  169 Pt   -a  -12464#        200#         7784#         1#      B- -10676#       359#      168 986619#        215#
+  11   90   79  169 Au    x   -1788#        298#         7716#         2#      B-      *                  168 998080#        320#
+0 44  107   63  170 Eu    x  -30860#        500#         7963#         3#      B-   9989#       707#      169 966870#        537#
+  42  106   64  170 Gd    x  -40850#        500#         8017#         3#      B-   5860#       583#      169 956146#        537#
+  40  105   65  170 Tb    x  -46710#        300#         8047#         2#      B-   7000#       361#      169 949855#        322#
+  38  104   66  170 Dy    x  -53710#        200#         8084#         1#      B-   2528#       206#      169 942340#        215#
+  36  103   67  170 Ho    +  -56237.514      50.019      8093.7902     0.2942  B-   3870.0000    50.0000  169 939626.548      53.697
+  34  102   68  170 Er       -60107.514       1.387      8111.9529     0.0082  B-   -312.1997     1.7852  169 935471.933       1.488
+  32  101   69  170 Tm       -59795.314       0.732      8105.5144     0.0043  B-    968.6148     0.7319  169 935807.093       0.785
+  30  100   70  170 Yb       -60763.929       0.010      8106.6101     0.0003  B-  -3457.6950    16.8430  169 934767.242       0.011
+  28   99   71  170 Lu    -  -57306.234      16.843      8081.6686     0.0991  B-  -1052.3734    32.6282  169 938479.230      18.081
+  26   98   72  170 Hf    x  -56253.860      27.945      8070.8762     0.1644  B-  -6116.1903    39.5199  169 939609.000      30.000
+  24   97   73  170 Ta    x  -50137.670      27.945      8030.2965     0.1644  B-  -2846.8656    30.9035  169 946175.000      30.000
+  22   96   74  170 W        -47290.804      13.195      8008.9482     0.0776  B-  -8386.8083    17.4557  169 949231.235      14.165
+  20   95   75  170 Re       -38903.996      11.427      7955.0120     0.0672  B-  -4978.3046    15.0274  169 958234.844      12.267
+  18   94   76  170 Os       -33925.692       9.759      7921.1258     0.0574  B- -10743#       102#      169 963579.273      10.476
+  16   93   77  170 Ir   -a  -23182#        101#         7853#         1#      B-  -6883#       102#      169 975113#        109#
+  14   92   78  170 Pt       -16299.202      18.246      7808.2365     0.1073  B- -12596#       202#      169 982502.087      19.588
+  12   91   79  170 Au   -p   -3703#        201#         7730#         1#      B-  -9119#       362#      169 996024#        216#
+  10   90   80  170 Hg   -a    5415#        302#         7671#         2#      B-      *                  170 005814#        324#
+0 43  107   64  171 Gd    x  -36210#        500#         7990#         3#      B-   7560#       640#      170 961127#        537#
+  41  106   65  171 Tb    x  -43770#        400#         8030#         2#      B-   6240#       447#      170 953011#        429#
+  39  105   66  171 Dy    x  -50010#        200#         8062#         1#      B-   4508#       633#      170 946312#        215#
+  37  104   67  171 Ho    +  -54517.822     600.002      8083.6021     3.5088  B-   3200.0000   600.0000  170 941472.713     644.128
+  35  103   68  171 Er       -57717.822       1.408      8097.7404     0.0082  B-   1492.4490     1.0788  170 938037.372       1.511
+  33  102   69  171 Tm       -59210.271       0.972      8101.8931     0.0057  B-     96.5468     0.9715  170 936435.162       1.043
+  31  101   70  171 Yb       -59306.818       0.013      8097.8826     0.0003  B-  -1478.3526     1.8621  170 936331.515       0.013
+  29  100   71  171 Lu       -57828.465       1.862      8084.6621     0.0109  B-  -2397.1144    28.9363  170 937918.591       1.999
+  27   99   72  171 Hf    x  -55431.351      28.876      8066.0687     0.1689  B-  -3711.0725    40.1840  170 940492.000      31.000
+  25   98   73  171 Ta    x  -51720.279      27.945      8039.7914     0.1634  B-  -4634.1832    39.5199  170 944476.000      30.000
+  23   97   74  171 W     x  -47086.095      27.945      8008.1158     0.1634  B-  -5835.8106    39.5199  170 949451.000      30.000
+  21   96   75  171 Re    x  -41250.285      27.945      7969.4131     0.1634  B-  -6953.0469    33.3748  170 955716.000      30.000
+  19   95   76  171 Os       -34297.238      18.247      7924.1769     0.1067  B-  -7885.2079    42.5749  170 963180.402      19.589
+  17   94   77  171 Ir   -a  -26412.030      38.466      7873.4895     0.2249  B-  -8945.4613    89.6251  170 971645.520      41.295
+  15   93   78  171 Pt   -a  -17466.569      80.951      7816.6017     0.4734  B-  -9904.2655    83.5586  170 981248.868      86.904
+  13   92   79  171 Au   -p   -7562.303      20.713      7754.1069     0.1211  B- -10901#       307#      170 991881.533      22.236
+  11   91   80  171 Hg   -a    3339#        307#         7686#         2#      B-      *                  171 003585#        329#
+0 44  108   64  172 Gd    x  -32970#        300#         7972#         2#      B-   6720#       583#      171 964605#        322#
+  42  107   65  172 Tb    x  -39690#        500#         8006#         3#      B-   8070#       583#      171 957391#        537#
+  40  106   66  172 Dy    x  -47760#        300#         8049#         2#      B-   3724#       358#      171 948728#        322#
+  38  105   67  172 Ho    x  -51484#        196#         8066#         1#      B-   4999#       196#      171 944730#        210#
+  36  104   68  172 Er       -56482.578       3.962      8090.4052     0.0230  B-    890.9756     4.5418  171 939363.461       4.253
+  34  103   69  172 Tm       -57373.554       5.481      8091.0367     0.0319  B-   1881.9024     5.4814  171 938406.959       5.884
+  32  102   70  172 Yb       -59255.456       0.014      8097.4295     0.0003  B-  -2519.3805     2.3360  171 936386.654       0.014
+  30  101   71  172 Lu       -56736.076       2.336      8078.2334     0.0136  B-   -333.8443    24.5396  171 939091.320       2.507
+  28  100   72  172 Hf    x  -56402.232      24.428      8071.7439     0.1420  B-  -5072.2490    37.1167  171 939449.716      26.224
+  26   99   73  172 Ta    x  -51329.983      27.945      8037.7056     0.1625  B-  -2232.7914    39.5199  171 944895.000      30.000
+  24   98   74  172 W     x  -49097.191      27.945      8020.1757     0.1625  B-  -7530.3525    45.2323  171 947292.000      30.000
+  22   97   75  172 Re       -41566.839      35.568      7971.8460     0.2068  B-  -4323.1979    37.7890  171 955376.165      38.183
+  20   96   76  172 Os       -37243.641      12.766      7942.1626     0.0742  B-  -9864.2673    34.8263  171 960017.309      13.704
+  18   95   77  172 Ir   -a  -27379.373      32.402      7880.2637     0.1884  B-  -6272.7035    34.0232  171 970607.035      34.785
+  16   94   78  172 Pt       -21106.670      10.376      7839.2460     0.0603  B- -11788.6592    57.1082  171 977341.059      11.139
+  14   93   79  172 Au   -a   -9318.011      56.158      7766.1587     0.3265  B-  -8256.6495   140.8350  171 989996.704      60.287
+  12   92   80  172 Hg   -a   -1061.361     150.062      7713.6064     0.8725  B-      *                  171 998860.581     161.098
+0 43  108   65  173 Tb    x  -36510#        500#         7988#         3#      B-   7230#       640#      172 960805#        537#
+  41  107   66  173 Dy    x  -43740#        400#         8026#         2#      B-   5610#       499#      172 953043#        429#
+  39  106   67  173 Ho    x  -49351#        298#         8054#         2#      B-   4304#       357#      172 947020#        320#
+  37  105   68  173 Er    x  -53654#        196#         8074#         1#      B-   2602#       196#      172 942400#        210#
+  35  104   69  173 Tm  p2n  -56256.067       4.400      8084.4633     0.0254  B-   1295.1669     4.4000  172 939606.630       4.723
+  33  103   70  173 Yb       -57551.234       0.011      8087.4276     0.0003  B-   -670.2201     1.5674  172 938216.211       0.012
+  31  102   71  173 Lu       -56881.014       1.567      8079.0312     0.0091  B-  -1469.2244    27.9887  172 938935.722       1.682
+  29  101   72  173 Hf    x  -55411.790      27.945      8066.0164     0.1615  B-  -3015.2464    39.5199  172 940513.000      30.000
+  27  100   73  173 Ta    x  -52396.543      27.945      8044.0650     0.1615  B-  -3669.1553    39.5199  172 943750.000      30.000
+  25   99   74  173 W     x  -48727.388      27.945      8018.3337     0.1615  B-  -5173.5182    39.5199  172 947689.000      30.000
+  23   98   75  173 Re    x  -43553.870      27.945      7983.9068     0.1615  B-  -6115.6196    31.6968  172 953243.000      30.000
+  21   97   76  173 Os       -37438.250      14.959      7944.0341     0.0865  B-  -7169.7944    18.2998  172 959808.387      16.059
+  19   96   77  173 Ir       -30268.456      10.542      7898.0680     0.0609  B-  -8331.6974    64.3014  172 967505.477      11.316
+  17   95   78  173 Pt   -a  -21936.758      63.431      7845.3856     0.3667  B-  -9104.7415    67.3903  172 976449.922      68.096
+  15   94   79  173 Au   +a  -12832.017      22.783      7788.2348     0.1317  B- -10171#       202#      172 986224.263      24.458
+  13   93   80  173 Hg   -a   -2661#        201#         7725#         1#      B-      *                  172 997143#        215#
+0 44  109   65  174 Tb    x  -31970#        500#         7963#         3#      B-   9160#       707#      173 965679#        537#
+  42  108   66  174 Dy    x  -41130#        500#         8011#         3#      B-   4739#       583#      173 955845#        537#
+  40  107   67  174 Ho    x  -45870#        300#         8034#         2#      B-   6080#       423#      173 950757#        322#
+  38  106   68  174 Er    x  -51949#        298#         8064#         2#      B-   1915#       301#      173 944230#        320#
+  36  105   69  174 Tm    +  -53864.521      44.721      8070.6432     0.2570  B-   3080.0000    44.7214  173 942174.061      48.010
+  34  104   70  174 Yb       -56944.521       0.011      8083.8481     0.0003  B-  -1374.2287     1.5675  173 938867.545       0.011
+  32  103   71  174 Lu       -55570.292       1.567      8071.4540     0.0090  B-    274.2911     2.1686  173 940342.840       1.682
+  30  102   72  174 Hf       -55844.583       2.259      8068.5341     0.0130  B-  -4103.8117    28.0360  173 940048.377       2.425
+  28  101   73  174 Ta    x  -51740.771      27.945      8040.4528     0.1606  B-  -1513.6779    39.5199  173 944454.000      30.000
+  26  100   74  174 W     x  -50227.093      27.945      8027.2572     0.1606  B-  -6553.9925    39.5199  173 946079.000      30.000
+  24   99   75  174 Re    x  -43673.101      27.945      7985.0944     0.1606  B-  -3677.7177    29.7667  173 953115.000      30.000
+  22   98   76  174 Os       -39995.383      10.254      7959.4618     0.0589  B-  -9209.4466    15.2008  173 957063.192      11.008
+  20   97   77  174 Ir   +a  -30785.937      11.221      7902.0377     0.0645  B-  -5468.3293    15.2578  173 966949.939      12.046
+  18   96   78  174 Pt   -a  -25317.608      10.338      7866.1143     0.0594  B- -11259#       102#      173 972820.431      11.098
+  16   95   79  174 Au   -a  -14058#        102#         7797#         1#      B-  -7417#       102#      173 984908#        109#
+  14   94   80  174 Hg   -a   -6641.017      19.211      7749.7851     0.1104  B-      *                  173 992870.575      20.623
+0 43  109   66  175 Dy    x  -36730#        500#         7986#         3#      B-   6570#       640#      174 960569#        537#
+  41  108   67  175 Ho    x  -43300#        400#         8019#         2#      B-   5352#       566#      174 953516#        429#
+  39  107   68  175 Er    x  -48652#        401#         8045#         2#      B-   3659#       404#      174 947770#        430#
+  37  106   69  175 Tm    +  -52310.556      50.000      8061.7673     0.2857  B-   2385.0000    50.0000  174 943842.310      53.677
+  35  105   70  175 Yb       -54695.556       0.071      8070.9253     0.0005  B-    470.1219     1.2068  174 941281.907       0.076
+  33  104   71  175 Lu       -55165.678       1.207      8069.1412     0.0069  B-   -683.9154     1.9516  174 940777.211       1.295
+  31  103   72  175 Hf       -54481.763       2.283      8060.7625     0.0130  B-  -2073.1103    28.0379  174 941511.424       2.450
+  29  102   73  175 Ta    x  -52408.653      27.945      8044.4456     0.1597  B-  -2775.8524    39.5199  174 943737.000      30.000
+  27  101   74  175 W     x  -49632.800      27.945      8024.1130     0.1597  B-  -4344.4885    39.5199  174 946717.000      30.000
+  25  100   75  175 Re    x  -45288.312      27.945      7994.8168     0.1597  B-  -5182.9513    30.3243  174 951381.000      30.000
+  23   99   76  175 Os       -40105.360      11.775      7960.7294     0.0673  B-  -6710.8496    17.0887  174 956945.126      12.640
+  21   98   77  175 Ir       -33394.511      12.384      7917.9112     0.0708  B-  -7685.8265    22.3572  174 964149.519      13.295
+  19   97   78  175 Pt       -25708.684      18.614      7869.5216     0.1064  B-  -8304.9980    42.8203  174 972400.593      19.982
+  17   96   79  175 Au   -a  -17403.686      38.563      7817.5939     0.2204  B-  -9434.2436    89.7876  174 981316.375      41.399
+  15   95   80  175 Hg   -a   -7969.443      81.085      7759.2134     0.4633  B-      *                  174 991444.451      87.047
+0 44  110   66  176 Dy    x  -33610#        500#         7969#         3#      B-   5780#       707#      175 963918#        537#
+  42  109   67  176 Ho    x  -39390#        500#         7997#         3#      B-   7241#       641#      175 957713#        537#
+  40  108   68  176 Er    x  -46631#        401#         8034#         2#      B-   2741#       413#      175 949940#        430#
+  38  107   69  176 Tm    +  -49371.322     100.000      8045.1214     0.5682  B-   4120.0000   100.0000  175 946997.707     107.354
+  36  106   70  176 Yb       -53491.322       0.014      8064.0853     0.0003  B-   -108.9895     1.2124  175 942574.706       0.015
+  34  105   71  176 Lu       -53382.333       1.212      8059.0209     0.0069  B-   1194.0947     0.8744  175 942691.711       1.301
+  32  104   72  176 Hf       -54576.428       1.482      8061.3604     0.0084  B-  -3211.0484    30.7750  175 941409.797       1.591
+  30  103   73  176 Ta    x  -51365.379      30.739      8038.6706     0.1747  B-   -723.7709    41.5430  175 944857.000      33.000
+  28  102   74  176 W     x  -50641.608      27.945      8030.1131     0.1588  B-  -5578.7182    39.5199  175 945634.000      30.000
+  26  101   75  176 Re    x  -45062.890      27.945      7993.9707     0.1588  B-  -2931.7058    30.0134  175 951623.000      30.000
+  24  100   76  176 Os       -42131.184      10.949      7972.8681     0.0622  B-  -8249.2618    13.6110  175 954770.315      11.754
+  22   99   77  176 Ir       -33881.923       8.085      7921.5522     0.0459  B-  -4948.0041    15.0657  175 963626.261       8.679
+  20   98   78  176 Pt       -28933.918      12.712      7888.9934     0.0722  B- -10412.9516    35.5363  175 968938.162      13.647
+  18   97   79  176 Au   -a  -18520.967      33.185      7825.3837     0.1885  B-  -6736.3283    34.9978  175 980116.925      35.625
+  16   96   80  176 Hg       -11784.639      11.118      7782.6640     0.0632  B- -12369.3668    83.7993  175 987348.670      11.936
+  14   95   81  176 Tl   -p     584.728      83.058      7707.9383     0.4719  B-      *                  176 000627.731      89.166
+0 43  110   67  177 Ho    x  -36280#        500#         7980#         3#      B-   6578#       709#      176 961052#        537#
+  41  109   68  177 Er    x  -42858#        503#         8013#         3#      B-   4711#       541#      176 953990#        540#
+  39  108   69  177 Tm    x  -47570#        200#         8035#         1#      B-   3417#       200#      176 948932#        215#
+  37  107   70  177 Yb   -n  -50986.404       0.220      8049.9741     0.0013  B-   1397.4983     1.2406  176 945263.846       0.236
+  35  106   71  177 Lu       -52383.903       1.221      8053.4495     0.0069  B-    496.8425     0.7921  176 943763.570       1.310
+  33  105   72  177 Hf       -52880.745       1.410      8051.8365     0.0080  B-  -1166.0000     3.0000  176 943230.187       1.514
+  31  104   73  177 Ta    -  -51714.745       3.315      8040.8289     0.0187  B-  -2013.0144    28.1408  176 944481.940       3.558
+  29  103   74  177 W     x  -49701.731      27.945      8025.0359     0.1579  B-  -3432.5558    39.5199  176 946643.000      30.000
+  27  102   75  177 Re    x  -46269.175      27.945      8001.2229     0.1579  B-  -4312.7271    31.5349  176 950328.000      30.000
+  25  101   76  177 Os   +a  -41956.448      14.613      7972.4371     0.0826  B-  -5909.0234    24.5763  176 954957.902      15.687
+  23  100   77  177 Ir    x  -36047.425      19.760      7934.6328     0.1116  B-  -6676.9880    24.8010  176 961301.500      21.213
+  21   99   78  177 Pt       -29370.437      14.988      7892.4896     0.0847  B-  -7824.7003    17.9991  176 968469.541      16.090
+  19   98   79  177 Au       -21545.736       9.968      7843.8623     0.0563  B-  -8769.9135    85.3061  176 976869.701      10.700
+  17   97   80  177 Hg   -a  -12775.823      84.722      7789.8947     0.4787  B-  -9435.7198    87.4322  176 986284.590      90.952
+  15   96   81  177 Tl   IT   -3340.103      21.628      7732.1655     0.1222  B-      *                  176 996414.252      23.218
+0 44  111   67  178 Ho    x  -32130#        500#         7957#         3#      B-   8130#       778#      177 965507#        537#
+  42  110   68  178 Er    x  -40260#        596#         7999#         3#      B-   3980#       667#      177 956779#        640#
+  40  109   69  178 Tm    x  -44240#        300#         8017#         2#      B-   5437#       300#      177 952506#        322#
+  38  108   70  178 Yb       -49677.139       6.588      8042.7386     0.0370  B-    660.7415     6.9617  177 946669.400       7.072
+  36  107   71  178 Lu       -50337.881       2.251      8042.0554     0.0127  B-   2097.4851     2.0569  177 945960.065       2.416
+  34  106   72  178 Hf       -52435.366       1.415      8049.4438     0.0080  B-  -1837#        52#      177 943708.322       1.519
+  32  105   73  178 Ta   IT  -50598#         52#         8035#         0#      B-   -191#        50#      177 945680#         56#
+  30  104   74  178 W     -  -50407.066      15.199      8029.2584     0.0854  B-  -4753.6082    31.8106  177 945885.791      16.316
+  28  103   75  178 Re    x  -45653.457      27.945      7998.1576     0.1570  B-  -2109.2143    31.0925  177 950989.000      30.000
+  26  102   76  178 Os       -43544.243      13.632      7981.9128     0.0766  B-  -7289.9295    23.2390  177 953253.334      14.634
+  24  101   77  178 Ir       -36254.314      18.821      7936.5630     0.1057  B-  -4256.8282    21.3752  177 961079.395      20.204
+  22  100   78  178 Pt       -31997.486      10.133      7908.2530     0.0569  B-  -9694.4567    14.4108  177 965649.288      10.878
+  20   99   79  178 Au    x  -22303.029      10.246      7849.3946     0.0576  B-  -5987.6832    14.8566  177 976056.714      11.000
+  18   98   80  178 Hg   -a  -16315.346      10.758      7811.3607     0.0604  B- -11702#       103#      177 982484.756      11.548
+  16   97   81  178 Tl   -a   -4613#        102#         7741#         1#      B-  -8187#       103#      177 995047#        110#
+  14   96   82  178 Pb   -a    3573.371      23.184      7690.8359     0.1302  B-      *                  178 003836.171      24.889
+0 43  111   68  179 Er    x  -36080#        500#         7976#         3#      B-   5821#       640#      178 961267#        537#
+  41  110   69  179 Tm    x  -41900#        400#         8004#         2#      B-   4739#       447#      178 955018#        429#
+  39  109   70  179 Yb    x  -46640#        200#         8026#         1#      B-   2419#       200#      178 949930#        215#
+  37  108   71  179 Lu       -49059.013       5.150      8035.0744     0.0288  B-   1404.0231     5.0672  178 947332.985       5.528
+  35  107   72  179 Hf       -50463.036       1.416      8038.5474     0.0079  B-   -105.5801     0.4088  178 945825.705       1.520
+  33  106   73  179 Ta       -50357.456       1.466      8033.5869     0.0082  B-  -1062.2093    14.5197  178 945939.050       1.574
+  31  105   74  179 W        -49295.247      14.573      8023.2821     0.0814  B-  -2710.9347    26.8021  178 947079.378      15.644
+  29  104   75  179 Re       -46584.312      24.639      8003.7666     0.1376  B-  -3564.1747    29.1116  178 949989.686      26.450
+  27  103   76  179 Os       -43020.137      15.505      7979.4844     0.0866  B-  -4938.4182    18.3271  178 953815.985      16.645
+  25  102   77  179 Ir       -38081.719       9.771      7947.5248     0.0546  B-  -5813.5920    12.6133  178 959117.594      10.489
+  23  101   78  179 Pt       -32268.127       7.977      7910.6759     0.0446  B-  -7279.5556    14.1567  178 965358.742       8.563
+  21  100   79  179 Au       -24988.572      11.696      7865.6374     0.0653  B-  -8055.6480    30.4559  178 973173.666      12.555
+  19   99   80  179 Hg       -16932.924      28.121      7816.2631     0.1571  B-  -8663.2918    47.7998  178 981821.759      30.188
+  17   98   81  179 Tl   -a   -8269.632      38.653      7763.4942     0.2159  B- -10321.2401    89.9571  178 991122.185      41.495
+  15   97   82  179 Pb   -a    2051.608      81.229      7701.4630     0.4538  B-      *                  179 002202.492      87.203
+0 44  112   68  180 Er    x  -33180#        500#         7960#         3#      B-   4990#       640#      179 964380#        537#
+  42  111   69  180 Tm    x  -38170#        400#         7983#         2#      B-   6550#       500#      179 959023#        429#
+  40  110   70  180 Yb    x  -44720#        300#         8016#         2#      B-   1956#       308#      179 951991#        322#
+  38  109   71  180 Lu    +  -46676.476      70.725      8022.0394     0.3929  B-   3103.0000    70.7107  179 949890.744      75.926
+  36  108   72  180 Hf       -49779.476       1.421      8034.9319     0.0079  B-   -845.8453     2.3472  179 946559.537       1.525
+  34  107   73  180 Ta   +n  -48933.631       2.068      8025.8864     0.0115  B-    702.6122     2.3590  179 947467.589       2.219
+  32  106   74  180 W        -49636.243       1.439      8025.4434     0.0080  B-  -3798.8793    21.4404  179 946713.304       1.545
+  30  105   75  180 Re    x  -45837.364      21.392      7999.9922     0.1188  B-  -1481.1659    26.5482  179 950791.568      22.965
+  28  104   76  180 Os       -44356.198      15.722      7987.4171     0.0873  B-  -6378.6679    26.8021  179 952381.665      16.878
+  26  103   77  180 Ir    x  -37977.530      21.706      7947.6337     0.1206  B-  -3547.6546    23.9205  179 959229.446      23.302
+  24  102   78  180 Pt       -34429.875      10.051      7923.5781     0.0558  B-  -8804.2290    11.1207  179 963038.010      10.790
+  22  101   79  180 Au       -25625.646       4.759      7870.3194     0.0264  B-  -5375.1330    13.5105  179 972489.738       5.108
+  20  100   80  180 Hg       -20250.513      12.645      7836.1111     0.0702  B- -10860.0750    71.0509  179 978260.180      13.574
+  18   99   81  180 Tl   -a   -9390.438      69.917      7771.4310     0.3884  B-  -7449.3696    71.0069  179 989918.950      75.058
+  16   98   82  180 Pb   -a   -1941.069      12.395      7725.6993     0.0689  B-      *                  179 997916.177      13.306
+0 43  112   69  181 Tm    x  -35440#        500#         7969#         3#      B-   5649#       582#      180 961954#        537#
+  41  111   70  181 Yb    x  -41088#        298#         7996#         2#      B-   3709#       324#      180 955890#        320#
+  39  110   71  181 Lu    x  -44797.414     125.752      8011.9301     0.6948  B-   2605.5435   125.7598  180 951908.000     135.000
+  37  109   72  181 Hf   -n  -47402.958       1.423      8022.0030     0.0079  B-   1036.1061     1.9298  180 949110.834       1.527
+  35  108   73  181 Ta       -48439.064       1.576      8023.4050     0.0087  B-   -205.1193     1.9495  180 947998.528       1.692
+  33  107   74  181 W    -n  -48233.945       1.448      8017.9494     0.0080  B-  -1716.5331    12.6289  180 948218.733       1.554
+  31  106   75  181 Re   4n  -46517.412      12.549      8004.1434     0.0693  B-  -2967.4438    28.2755  180 950061.507      13.471
+  29  105   76  181 Os       -43549.968      25.338      7983.4263     0.1400  B-  -4086.9327    25.8756  180 953247.188      27.201
+  27  104   77  181 Ir   +a  -39463.035       5.245      7956.5242     0.0290  B-  -5081.5379    14.6597  180 957634.691       5.631
+  25  103   78  181 Pt       -34381.497      13.689      7924.1271     0.0756  B-  -6510.3575    24.2164  180 963089.946      14.695
+  23  102   79  181 Au   -a  -27871.140      19.976      7883.8359     0.1104  B-  -7210.0126    25.2123  180 970079.102      21.445
+  21  101   80  181 Hg       -20661.127      15.382      7839.6792     0.0850  B-  -7862.3780    17.8730  180 977819.368      16.513
+  19  100   81  181 Tl       -12798.749       9.102      7791.9183     0.0503  B-  -9688.1182    85.5227  180 986259.978       9.771
+  17   99   82  181 Pb   -a   -3110.631      85.037      7734.0704     0.4698  B-      *                  180 996660.600      91.290
+0 44  113   69  182 Tm    x  -31490#        500#         7948#         3#      B-   7410#       640#      181 966194#        537#
+  42  112   70  182 Yb    x  -38900#        400#         7984#         2#      B-   2870#       447#      181 958239#        429#
+  40  111   71  182 Lu    x  -41770#        200#         7996#         1#      B-   4280#       200#      181 955158#        215#
+  38  110   72  182 Hf  -nn  -46049.636       6.166      8014.8381     0.0339  B-    381.0486     6.3027  181 950563.684       6.619
+  36  109   73  182 Ta       -46430.685       1.578      8012.6332     0.0087  B-   1815.4592     1.5276  181 950154.612       1.693
+  34  108   74  182 W        -48246.144       0.745      8018.3096     0.0041  B-  -2800.0000   101.9804  181 948205.636       0.799
+  32  107   75  182 Re   IT  -45446.144     101.983      7998.6264     0.5603  B-   -837.0348   104.2757  181 951211.560     109.483
+  30  106   76  182 Os       -44609.109      21.745      7989.7287     0.1195  B-  -5557.4266    30.2074  181 952110.154      23.344
+  28  105   77  182 Ir       -39051.682      20.967      7954.8948     0.1152  B-  -2883.2620    24.7202  181 958076.296      22.509
+  26  104   78  182 Pt       -36168.420      13.095      7934.7541     0.0719  B-  -7864.4447    22.8812  181 961171.605      14.057
+  24  103   79  182 Au       -28303.976      18.764      7887.2442     0.1031  B-  -4727.0905    21.1645  181 969614.433      20.143
+  22  102   80  182 Hg       -23576.885       9.790      7856.9726     0.0538  B- -10249.6721    15.4687  181 974689.173      10.510
+  20  101   81  182 Tl   -a  -13327.213      11.976      7796.3571     0.0658  B-  -6502.6567    17.0151  181 985692.649      12.856
+  18  100   82  182 Pb   -a   -6824.556      12.086      7756.3296     0.0664  B-      *                  181 992673.537      12.975
+0 43  113   70  183 Yb    x  -35000#        400#         7963#         2#      B-   4716#       408#      182 962426#        429#
+  41  112   71  183 Lu    x  -39716.114      80.108      7984.8125     0.4378  B-   3567.4325    85.5564  182 957363.000      86.000
+  39  111   72  183 Hf    +  -43283.547      30.042      8000.0315     0.1642  B-   2010.0000    30.0000  182 953533.203      32.251
+  37  110   73  183 Ta   -n  -45293.547       1.590      8006.7400     0.0087  B-   1072.1161     1.5405  182 951375.380       1.707
+  35  109   74  183 W        -46365.663       0.743      8008.3234     0.0041  B-   -556.0000     8.0000  182 950224.416       0.798
+  33  108   75  183 Re    -  -45809.663       8.034      8001.0101     0.0439  B-  -2145.9028    50.4129  182 950821.306       8.625
+  31  107   76  183 Os       -43663.760      49.769      7985.0087     0.2720  B-  -3461.6215    52.8061  182 953125.028      53.428
+  29  106   77  183 Ir       -40202.138      24.672      7961.8176     0.1348  B-  -4428.9417    28.4743  182 956841.231      26.486
+  27  105   78  183 Pt       -35773.197      14.216      7933.3406     0.0777  B-  -5581.7092    17.0554  182 961595.895      15.261
+  25  104   79  183 Au       -30191.488       9.423      7898.5644     0.0515  B-  -6386.8322    11.7891  182 967588.106      10.116
+  23  103   80  183 Hg       -23804.655       7.084      7859.3885     0.0387  B-  -7217.3941    11.7158  182 974444.652       7.604
+  21  102   81  183 Tl       -16587.261       9.331      7815.6741     0.0510  B-  -9007.2534    30.4442  182 982192.843      10.017
+  19  101   82  183 Pb   -a   -7580.008      28.979      7762.1790     0.1584  B-      *                  182 991862.527      31.110
+0 44  114   70  184 Yb    x  -32600#        503#         7951#         3#      B-   3700#       541#      183 965002#        540#
+  42  113   71  184 Lu    x  -36300#        200#         7967#         1#      B-   5199#       204#      183 961030#        215#
+  40  112   72  184 Hf    +  -41499.453      39.706      7990.7228     0.2158  B-   1340.0000    30.0000  183 955448.507      42.625
+  38  111   73  184 Ta    +  -42839.453      26.010      7993.7535     0.1414  B-   2866.0000    26.0000  183 954009.958      27.923
+  36  110   74  184 W        -45705.453       0.738      8005.0777     0.0040  B-  -1485.6333     4.1971  183 950933.180       0.792
+  34  109   75  184 Re       -44219.819       4.276      7992.7517     0.0232  B-     32.7460     4.1387  183 952528.073       4.590
+  32  108   76  184 Os       -44252.565       0.829      7988.6778     0.0045  B-  -4641.7101    27.9571  183 952492.919       0.890
+  30  107   77  184 Ir    x  -39610.855      27.945      7959.1992     0.1519  B-  -2278.3688    31.5957  183 957476.000      30.000
+  28  106   78  184 Pt       -37332.486      14.744      7942.5649     0.0801  B-  -7013.7724    26.7122  183 959921.929      15.828
+  26  105   79  184 Au   -a  -30318.714      22.275      7900.1947     0.1211  B-  -3973.9269    24.2296  183 967451.523      23.912
+  24  104   80  184 Hg       -26344.787       9.535      7874.3454     0.0518  B-  -9461.4321    13.8254  183 971717.709      10.235
+  22  103   81  184 Tl       -16883.355      10.012      7818.6727     0.0544  B-  -5831.7688    16.2517  183 981874.973      10.747
+  20  102   82  184 Pb       -11051.586      12.802      7782.7264     0.0696  B- -12306#       123#      183 988135.634      13.743
+  18  101   83  184 Bi   -a    1254#        122#         7712#         1#      B-      *                  184 001347#        131#
+0 45  115   70  185 Yb    x  -28480#        500#         7929#         3#      B-   5480#       583#      184 969425#        537#
+  43  114   71  185 Lu    x  -33960#        300#         7955#         2#      B-   4359#       307#      184 963542#        322#
+  41  113   72  185 Hf    x  -38319.804      64.273      7973.9711     0.3474  B-   3074.5667    65.8147  184 958862.000      69.000
+  39  112   73  185 Ta    +  -41394.371      14.161      7986.3615     0.0765  B-   1993.5000    14.1421  184 955561.317      15.202
+  37  111   74  185 W        -43387.871       0.739      7992.9083     0.0040  B-    431.1764     0.6616  184 953421.206       0.793
+  35  110   75  185 Re       -43819.047       0.820      7991.0101     0.0044  B-  -1013.1393     0.4190  184 952958.320       0.879
+  33  109   76  185 Os       -42805.908       0.832      7981.3047     0.0045  B-  -2470.3505    27.9572  184 954045.969       0.893
+  31  108   77  185 Ir    x  -40335.558      27.945      7963.7226     0.1511  B-  -3647.4137    38.0554  184 956698.000      30.000
+  29  107   78  185 Pt       -36688.144      25.832      7939.7779     0.1396  B-  -4829.9942    25.9635  184 960613.659      27.731
+  27  106   79  185 Au    x  -31858.150       2.608      7909.4410     0.0141  B-  -5674.4989    13.8859  184 965798.871       2.800
+  25  105   80  185 Hg       -26183.651      13.639      7874.5391     0.0737  B-  -6425.9062    24.7674  184 971890.696      14.641
+  23  104   81  185 Tl   IT  -19757.745      20.674      7835.5756     0.1118  B-  -8216.5333    26.2493  184 978789.189      22.194
+  21  103   82  185 Pb   -a  -11541.211      16.175      7786.9330     0.0874  B-  -9305#        83#      184 987610.000      17.364
+  19  102   83  185 Bi   IT   -2236#         81#         7732#         0#      B-      *                  184 997600#         87#
+0 44  115   71  186 Lu    x  -30320#        400#         7936#         2#      B-   6104#       403#      185 967450#        429#
+  42  114   72  186 Hf    x  -36424.214      51.232      7964.3032     0.2754  B-   2183.3883    78.9063  185 960897.000      55.000
+  40  113   73  186 Ta    +  -38607.602      60.012      7971.8357     0.3226  B-   3901.0000    60.0000  185 958553.036      64.425
+  38  112   74  186 W        -42508.602       1.213      7988.6026     0.0065  B-   -581.2819     1.2386  185 954365.140       1.302
+  36  111   75  186 Re       -41927.320       0.820      7981.2713     0.0044  B-   1072.7114     0.8337  185 954989.172       0.880
+  34  110   76  186 Os       -43000.032       0.761      7982.8324     0.0041  B-  -3827.6813    16.5430  185 953837.569       0.816
+  32  109   77  186 Ir    x  -39172.350      16.526      7958.0473     0.0888  B-  -1307.9030    27.3122  185 957946.754      17.740
+  30  108   78  186 Pt       -37864.447      21.745      7946.8094     0.1169  B-  -6149.5913    30.2074  185 959350.845      23.344
+  28  107   79  186 Au       -31714.856      20.967      7909.5409     0.1127  B-  -3175.7972    23.9866  185 965952.703      22.509
+  26  106   80  186 Hg       -28539.059      11.650      7888.2605     0.0626  B-  -8656.1190    23.7974  185 969362.061      12.507
+  24  105   81  186 Tl       -19882.940      20.751      7837.5161     0.1116  B-  -5202.0427    23.4877  185 978654.787      22.276
+  22  104   82  186 Pb   -a  -14680.897      11.004      7805.3420     0.0592  B- -11535.3999    20.2118  185 984239.409      11.813
+  20  103   83  186 Bi   -a   -3145.497      16.954      7739.1175     0.0911  B-  -7247.0279    24.9305  185 996623.169      18.200
+  18  102   84  186 Po   -a    4101.531      18.278      7695.9488     0.0983  B-      *                  186 004403.174      19.622
+0 45  116   71  187 Lu    x  -27770#        400#         7923#         2#      B-   5230#       447#      186 970188#        429#
+  43  115   72  187 Hf    x  -33000#        200#         7947#         1#      B-   3896#       208#      186 964573#        215#
+  41  114   73  187 Ta    x  -36895.550      55.890      7963.2123     0.2989  B-   3008.4937    55.9028  186 960391.000      60.000
+  39  113   74  187 W        -39904.044       1.213      7975.1168     0.0065  B-   1312.5048     1.1219  186 957161.249       1.302
+  37  112   75  187 Re       -41216.548       0.737      7977.9519     0.0039  B-      2.4667     0.0016  186 955752.217       0.791
+  35  111   76  187 Os       -41219.015       0.737      7973.7814     0.0039  B-  -1669.6385    27.9545  186 955749.569       0.791
+  33  110   77  187 Ir    x  -39549.377      27.945      7960.6692     0.1494  B-  -2864.0151    36.8802  186 957542.000      30.000
+  31  109   78  187 Pt       -36685.361      24.067      7941.1699     0.1287  B-  -3656.5811    27.4478  186 960616.646      25.837
+  29  108   79  187 Au       -33028.780      22.499      7917.4323     0.1203  B-  -4910.2713    25.9171  186 964542.147      24.153
+  27  107   80  187 Hg       -28118.509      12.864      7886.9905     0.0688  B-  -5673.9170    15.1746  186 969813.540      13.810
+  25  106   81  187 Tl       -22444.592       8.048      7852.4650     0.0430  B-  -7457.6370     9.5248  186 975904.740       8.640
+  23  105   82  187 Pb       -14986.955       5.094      7808.4010     0.0272  B-  -8603.6798    11.2268  186 983910.842       5.468
+  21  104   83  187 Bi   -a   -6383.275      10.005      7758.2083     0.0535  B-  -9207.0832    34.1302  186 993147.272      10.740
+  19  103   84  187 Po   -a    2823.808      32.631      7704.7889     0.1745  B-      *                  187 003031.482      35.030
+0 46  117   71  188 Lu    x  -23820#        400#         7903#         2#      B-   7009#       500#      187 974428#        429#
+  44  116   72  188 Hf    x  -30830#        300#         7936#         2#      B-   3080#       361#      187 966903#        322#
+  42  115   73  188 Ta    x  -33910#        200#         7948#         1#      B-   4758#       200#      187 963596#        215#
+  40  114   74  188 W     +  -38667.880       3.089      7969.0532     0.0164  B-    349.0000     3.0000  187 958488.325       3.316
+  38  113   75  188 Re   -n  -39016.880       0.738      7966.7481     0.0039  B-   2120.4209     0.1520  187 958113.658       0.792
+  36  112   76  188 Os       -41137.301       0.734      7973.8656     0.0039  B-  -2792.3457     9.4164  187 955837.292       0.788
+  34  111   77  188 Ir       -38344.955       9.423      7954.8512     0.0501  B-   -523.9860     8.6863  187 958834.999      10.116
+  32  110   78  188 Pt       -37820.970       5.305      7947.9027     0.0282  B-  -5449.6549     5.9528  187 959397.521       5.694
+  30  109   79  188 Au    x  -32371.315       2.701      7914.7537     0.0144  B-  -2172.9634     7.3046  187 965247.966       2.900
+  28  108   80  188 Hg       -30198.351       6.787      7899.0340     0.0361  B-  -7861.9485    30.6643  187 967580.738       7.285
+  26  107   81  188 Tl    x  -22336.403      29.904      7853.0537     0.1591  B-  -4525.3784    31.5712  187 976020.886      32.103
+  24  106   82  188 Pb   -a  -17811.024      10.124      7824.8211     0.0539  B- -10616.2241    15.0824  187 980879.079      10.868
+  22  105   83  188 Bi   -a   -7194.800      11.179      7764.1904     0.0595  B-  -6650.4226    22.8861  187 992276.064      12.001
+  20  104   84  188 Po   -a    -544.378      19.970      7724.6544     0.1062  B-      *                  187 999415.586      21.438
+0 45  117   72  189 Hf    x  -27150#        300#         7917#         2#      B-   4809#       361#      188 970853#        322#
+  43  116   73  189 Ta    x  -31960#        200#         7938#         1#      B-   3850#       283#      188 965690#        215#
+  41  115   74  189 W     +  -35809#        200#         7954#         1#      B-   2170#       200#      188 961557#        215#
+  39  114   75  189 Re   +p  -37979.097       8.191      7961.8105     0.0433  B-   1007.7049     8.1671  188 959227.764       8.793
+  37  113   76  189 Os       -38986.802       0.666      7963.0029     0.0035  B-   -537.1494    12.5630  188 958145.949       0.715
+  35  112   77  189 Ir       -38449.652      12.576      7956.0214     0.0665  B-  -1980.2470    13.6363  188 958722.602      13.500
+  33  111   78  189 Pt       -36469.405      10.090      7941.4045     0.0534  B-  -2887.4471    22.4737  188 960848.485      10.832
+  31  110   79  189 Au    x  -33581.958      20.081      7921.9876     0.1063  B-  -3955.5800    37.4009  188 963948.286      21.558
+  29  109   80  189 Hg       -29626.378      31.553      7896.9192     0.1669  B-  -5010.2727    32.6434  188 968194.776      33.873
+  27  108   81  189 Tl       -24616.105       8.368      7866.2704     0.0443  B-  -6772.0862    16.3636  188 973573.525       8.983
+  25  107   82  189 Pb       -17844.019      14.062      7826.2999     0.0744  B-  -7779.3555    25.1498  188 980843.658      15.096
+  23  106   83  189 Bi   -a  -10064.664      20.851      7780.9999     0.1103  B-  -8642.6682    30.3542  188 989195.139      22.384
+  21  105   84  189 Po   -a   -1421.996      22.059      7731.1321     0.1167  B-      *                  188 998473.425      23.681
+0 46  118   72  190 Hf    x  -24800#        400#         7905#         2#      B-   3920#       447#      189 973376#        429#
+  44  117   73  190 Ta    x  -28720#        200#         7922#         1#      B-   5649#       203#      189 969168#        215#
+  42  116   74  190 W        -34368.832      35.391      7947.5031     0.1863  B-   1214.1824    35.5545  189 963103.542      37.993
+  40  115   75  190 Re       -35583.015       4.870      7949.7759     0.0256  B-   3124.8105     4.7864  189 961800.064       5.227
+  38  114   76  190 Os       -38707.825       0.650      7962.1047     0.0034  B-  -1954.2108     1.2131  189 958445.442       0.697
+  36  113   77  190 Ir   +n  -36753.614       1.370      7947.7017     0.0072  B-    552.8893     1.2822  189 960543.374       1.470
+  34  112   78  190 Pt       -37306.504       0.657      7946.4941     0.0035  B-  -4472.9637     3.5086  189 959949.823       0.705
+  32  111   79  190 Au    x  -32833.540       3.447      7918.8345     0.0181  B-  -1462.9150    16.2760  189 964751.746       3.700
+  30  110   80  190 Hg       -31370.625      15.907      7907.0174     0.0837  B-  -7004.3892    17.4819  189 966322.250      17.076
+  28  109   81  190 Tl   +a  -24366.236       7.252      7866.0345     0.0382  B-  -3949.6288    14.4634  189 973841.771       7.784
+  26  108   82  190 Pb   -a  -20416.607      12.514      7841.1294     0.0659  B-  -9820.7014    24.4226  189 978081.872      13.434
+  24  107   83  190 Bi   -a  -10595.906      20.973      7785.3239     0.1104  B-  -6033.1975    24.7615  189 988624.828      22.515
+  22  106   84  190 Po   -a   -4562.708      13.163      7749.4526     0.0693  B-      *                  189 995101.731      14.131
+0 45  118   73  191 Ta    x  -26520#        300#         7911#         2#      B-   4657#       303#      190 971530#        322#
+  43  117   74  191 W     x  -31176.176      41.917      7931.4359     0.2195  B-   3174.2318    43.1556  190 966531.000      45.000
+  41  116   75  191 Re   +p  -34350.408      10.264      7943.9588     0.0537  B-   2044.8311    10.2443  190 963123.322      11.019
+  39  115   76  191 Os       -36395.239       0.659      7950.5687     0.0035  B-    313.5873     1.1410  190 960928.105       0.707
+  37  114   77  191 Ir       -36708.826       1.310      7948.1144     0.0069  B-  -1010.4903     3.6360  190 960591.455       1.406
+  35  113   78  191 Pt       -35698.336       4.127      7938.7279     0.0216  B-  -1900.4257     6.4260  190 961676.261       4.430
+  33  112   79  191 Au       -33797.910       4.926      7924.6819     0.0258  B-  -3206.0616    22.7103  190 963716.452       5.288
+  31  111   80  191 Hg       -30591.849      22.280      7903.8002     0.1167  B-  -4308.8981    23.4609  190 967158.301      23.918
+  29  110   81  191 Tl   +a  -26282.951       7.349      7877.1445     0.0385  B-  -5991.7073     9.8864  190 971784.093       7.889
+  27  109   82  191 Pb       -20291.243       6.613      7841.6782     0.0346  B-  -7051.8922     9.9895  190 978216.455       7.099
+  25  108   83  191 Bi       -13239.351       7.487      7800.6613     0.0392  B-  -8170.6205    10.3201  190 985786.972       8.037
+  23  107   84  191 Po        -5068.731       7.103      7753.7871     0.0372  B-  -8932.6440    17.5997  190 994558.494       7.624
+  21  106   85  191 At   -a    3863.913      16.103      7702.9233     0.0843  B-      *                  191 004148.081      17.287
+0 46  119   73  192 Ta    x  -23100#        400#         7894#         2#      B-   6520#       447#      191 975201#        429#
+  44  118   74  192 W     x  -29620#        200#         7924#         1#      B-   1969#       212#      191 968202#        215#
+  42  117   75  192 Re    x  -31588.828      70.794      7930.2389     0.3687  B-   4293.4750    70.8314  191 966088.000      76.000
+  40  116   76  192 Os       -35882.303       2.314      7948.5260     0.0121  B-  -1046.6722     2.3962  191 961478.765       2.484
+  38  115   77  192 Ir       -34835.631       1.314      7938.9999     0.0068  B-   1452.8946     2.2739  191 962602.414       1.410
+  36  114   78  192 Pt       -36288.525       2.570      7942.4923     0.0134  B-  -3516.3415    15.6174  191 961042.667       2.758
+  34  113   79  192 Au    -  -32772.184      15.827      7920.1033     0.0824  B-   -760.7028    22.1777  191 964817.615      16.991
+  32  112   80  192 Hg    x  -32011.481      15.537      7912.0666     0.0809  B-  -6139.2324    35.2767  191 965634.263      16.679
+  30  111   81  192 Tl    x  -25872.249      31.671      7876.0167     0.1650  B-  -3320.4029    32.1843  191 972225.000      34.000
+  28  110   82  192 Pb       -22551.846       5.726      7854.6482     0.0298  B-  -9017.3089    30.6518  191 975789.598       6.147
+  26  109   83  192 Bi   -a  -13534.537      30.112      7803.6084     0.1568  B-  -5468.0534    31.9348  191 985470.077      32.326
+  24  108   84  192 Po   -a   -8066.483      10.634      7771.0542     0.0554  B- -10992.2252    29.8328  191 991340.274      11.416
+  22  107   85  192 At   -a    2925.742      27.873      7709.7283     0.1452  B-      *                  192 003140.912      29.922
+0 47  120   73  193 Ta    x  -20810#        400#         7883#         2#      B-   5380#       447#      192 977660#        429#
+  45  119   74  193 W     x  -26190#        200#         7907#         1#      B-   4042#       204#      192 971884#        215#
+  43  118   75  193 Re    x  -30231.641      39.123      7923.9378     0.2027  B-   3162.7597    39.1915  192 967545.000      42.000
+  41  117   76  193 Os       -33394.401       2.320      7936.2716     0.0120  B-   1141.9038     2.4000  192 964149.637       2.490
+  39  116   77  193 Ir       -34536.305       1.327      7938.1346     0.0069  B-    -56.6276     0.2997  192 962923.753       1.425
+  37  115   78  193 Pt       -34479.677       1.359      7933.7875     0.0070  B-  -1074.8477     8.7676  192 962984.546       1.458
+  35  114   79  193 Au       -33404.829       8.674      7924.1648     0.0449  B-  -2342.6641    14.3702  192 964138.442       9.311
+  33  113   80  193 Hg       -31062.165      15.505      7907.9730     0.0803  B-  -3584.9466    16.8938  192 966653.395      16.645
+  31  112   81  193 Tl    x  -27477.218       6.707      7885.3445     0.0348  B-  -5247.9637    12.2808  192 970501.994       7.200
+  29  111   82  193 Pb       -22229.255      10.288      7854.0994     0.0533  B-  -6344.6913    12.7761  192 976135.914      11.044
+  27  110   83  193 Bi       -15884.563       7.576      7817.1718     0.0393  B-  -7559.2614    16.3874  192 982947.220       8.132
+  25  109   84  193 Po   -a   -8325.302      14.531      7773.9510     0.0753  B-  -8257.9789    26.0594  192 991062.421      15.599
+  23  108   85  193 At   -a     -67.323      21.632      7727.1099     0.1121  B-  -9110.2435    33.1444  192 999927.725      23.222
+  21  107   86  193 Rn   -a    9042.920      25.112      7675.8530     0.1301  B-      *                  193 009707.973      26.958
+0 48  121   73  194 Ta    x  -17130#        500#         7865#         3#      B-   7280#       583#      193 981610#        537#
+  46  120   74  194 W     x  -24410#        300#         7899#         2#      B-   2850#       361#      193 973795#        322#
+  44  119   75  194 Re    x  -27260#        200#         7909#         1#      B-   5175#       200#      193 970735#        215#
+  42  118   76  194 Os    +  -32435.176       2.403      7932.0232     0.0124  B-     96.6000     2.0000  193 965179.407       2.579
+  40  117   77  194 Ir   -n  -32531.776       1.332      7928.4885     0.0069  B-   2228.3252     1.2569  193 965075.703       1.429
+  38  116   78  194 Pt       -34760.101       0.496      7935.9420     0.0026  B-  -2548.1518     2.1174  193 962683.498       0.532
+  36  115   79  194 Au  +3n  -32211.950       2.118      7918.7744     0.0109  B-    -27.9978     3.5809  193 965419.051       2.273
+  34  114   80  194 Hg    x  -32183.952       2.888      7914.5974     0.0149  B-  -5246.4542    14.2677  193 965449.108       3.100
+  32  113   81  194 Tl    x  -26937.498      13.972      7883.5211     0.0720  B-  -2729.6315    22.3433  193 971081.408      15.000
+  30  112   82  194 Pb       -24207.866      17.435      7865.4181     0.0899  B-  -8184.8462    18.2094  193 974011.788      18.717
+  28  111   83  194 Bi   +a  -16023.020       5.252      7819.1955     0.0271  B-  -5018.4029    13.9386  193 982798.581       5.638
+  26  110   84  194 Po   -a  -11004.617      12.911      7789.2947     0.0666  B- -10288.1273    26.8153  193 988186.058      13.860
+  24  109   85  194 At   -a    -716.490      23.502      7732.2304     0.1211  B-  -6441.1134    28.8079  193 999230.816      25.230
+  22  108   86  194 Rn   -a    5724.624      16.659      7694.9961     0.0859  B-      *                  194 006145.636      17.884
+0 47  121   74  195 W     x  -20740#        300#         7881#         2#      B-   4820#       424#      194 977735#        322#
+  45  120   75  195 Re    x  -25560#        300#         7901#         2#      B-   3951#       305#      194 972560#        322#
+  43  119   76  195 Os    x  -29511.596      55.890      7917.7449     0.2866  B-   2180.7220    55.9055  194 968318.000      60.000
+  41  118   77  195 Ir   -n  -31692.318       1.333      7924.9160     0.0068  B-   1101.5601     1.2637  194 965976.898       1.431
+  39  117   78  195 Pt       -32793.878       0.503      7926.5530     0.0026  B-   -226.8175     0.9998  194 964794.325       0.540
+  37  116   79  195 Au       -32567.061       1.119      7921.3778     0.0057  B-  -1553.7190    23.1562  194 965037.823       1.201
+  35  115   80  195 Hg       -31013.342      23.142      7909.3980     0.1187  B-  -2858.0499    25.6707  194 966705.809      24.843
+  33  114   81  195 Tl       -28155.292      11.126      7890.7293     0.0571  B-  -4417.2524    12.2333  194 969774.052      11.944
+  31  113   82  195 Pb       -23738.039       5.088      7864.0647     0.0261  B-  -5712.4729     7.3370  194 974516.167       5.461
+  29  112   83  195 Bi       -18025.567       5.287      7830.7579     0.0271  B-  -6908.9121     8.0284  194 980648.759       5.675
+  27  111   84  195 Po       -11116.655       6.042      7791.3155     0.0310  B-  -7646.3554    11.3199  194 988065.781       6.486
+  25  110   85  195 At   -a   -3470.299       9.573      7748.0914     0.0491  B-  -8520.5842    52.5650  194 996274.480      10.276
+  23  109   86  195 Rn   -a    5050.285      51.686      7700.3841     0.2651  B-      *                  195 005421.703      55.487
+0 48  122   74  196 W     x  -18740#        400#         7872#         2#      B-   3620#       500#      195 979882#        429#
+  46  121   75  196 Re    x  -22360#        300#         7886#         2#      B-   5918#       303#      195 975996#        322#
+  44  120   76  196 Os  +pp  -28277.123      40.055      7912.2301     0.2044  B-   1158.3989    55.4951  195 969643.261      43.000
+  42  119   77  196 Ir    +  -29435.522      38.414      7914.1487     0.1960  B-   3209.0164    38.4111  195 968399.669      41.239
+  40  118   78  196 Pt       -32644.538       0.510      7926.5297     0.0026  B-  -1505.8204     2.9605  195 964954.648       0.547
+  38  117   79  196 Au       -31138.718       2.962      7914.8553     0.0151  B-    687.2263     3.1176  195 966571.213       3.179
+  36  116   80  196 Hg       -31825.944       2.946      7914.3700     0.0150  B-  -4329.3455    12.4627  195 965833.445       3.163
+  34  115   81  196 Tl    x  -27496.598      12.109      7888.2900     0.0618  B-  -2148.3639    14.3556  195 970481.189      13.000
+  32  114   82  196 Pb       -25348.234       7.710      7873.3374     0.0393  B-  -7339.2020    25.6160  195 972787.552       8.277
+  30  113   83  196 Bi    x  -18009.032      24.428      7831.9009     0.1246  B-  -4540.3012    25.0142  195 980666.509      26.224
+  28  112   84  196 Po       -13468.731       5.383      7804.7445     0.0275  B-  -9555.5564    30.7105  195 985540.722       5.778
+  26  111   85  196 At   -a   -3913.175      30.235      7752.0001     0.1543  B-  -5888.3439    33.3417  195 995799.034      32.458
+  24  110   86  196 Rn   -a    1975.169      14.054      7717.9660     0.0717  B-      *                  196 002120.431      15.087
+0 49  123   74  197 W     x  -14870#        400#         7853#         2#      B-   5480#       500#      196 984036#        429#
+  47  122   75  197 Re    x  -20350#        300#         7877#         2#      B-   4729#       361#      196 978153#        322#
+  45  121   76  197 Os    x  -25080#        200#         7897#         1#      B-   3185#       201#      196 973076#        215#
+  43  120   77  197 Ir   +p  -28264.123      20.110      7909.0003     0.1021  B-   2155.6519    20.1061  196 969657.217      21.588
+  41  119   78  197 Pt       -30419.775       0.536      7915.9714     0.0027  B-    719.9769     0.5022  196 967343.030       0.575
+  39  118   79  197 Au       -31139.751       0.542      7915.6548     0.0028  B-   -599.5206     3.2022  196 966570.103       0.581
+  37  117   80  197 Hg       -30540.231       3.207      7908.6402     0.0163  B-  -2186.0092    13.9478  196 967213.715       3.442
+  35  116   81  197 Tl   +a  -28354.222      13.575      7893.5725     0.0689  B-  -3608.8367    14.3969  196 969560.492      14.573
+  33  115   82  197 Pb       -24745.385       4.804      7871.2822     0.0244  B-  -5058.1894     9.6190  196 973434.737       5.157
+  31  114   83  197 Bi   +a  -19687.196       8.333      7841.6348     0.0423  B-  -6294.1172    12.9103  196 978864.927       8.946
+  29  113   84  197 Po       -13393.078       9.861      7805.7136     0.0501  B-  -7037.8235    12.6871  196 985621.939      10.585
+  27  112   85  197 At        -6355.255       7.983      7766.0174     0.0405  B-  -7865.6231    18.0538  196 993177.353       8.570
+  25  111   86  197 Rn   -a    1510.368      16.193      7722.1190     0.0822  B-  -8743.5996    58.7110  197 001621.446      17.383
+  23  110   87  197 Fr   -a   10253.968      56.434      7673.7640     0.2865  B-      *                  197 011008.086      60.584
+0 48  123   75  198 Re    x  -16990#        400#         7861#         2#      B-   6610#       447#      197 981760#        429#
+  46  122   76  198 Os    x  -23600#        200#         7890#         1#      B-   2110#       283#      197 974664#        215#
+  44  121   77  198 Ir    x  -25710#        200#         7897#         1#      B-   4194#       200#      197 972399#        215#
+  42  120   78  198 Pt       -29904.018       2.100      7914.1512     0.0106  B-   -323.2251     2.0595  197 967896.718       2.254
+  40  119   79  198 Au       -29580.793       0.540      7908.5675     0.0027  B-   1373.5226     0.4905  197 968243.714       0.579
+  38  118   80  198 Hg       -30954.315       0.458      7911.5532     0.0023  B-  -3425.5625     7.5590  197 966769.177       0.491
+  36  117   81  198 Tl    x  -27528.753       7.545      7890.3011     0.0381  B-  -1461.3103    11.5537  197 970446.669       8.100
+  34  116   82  198 Pb       -26067.443       8.750      7878.9695     0.0442  B-  -6693.5916    28.9259  197 972015.450       9.393
+  32  115   83  198 Bi       -19373.851      27.571      7841.2123     0.1392  B-  -3900.5727    32.6152  197 979201.316      29.598
+  30  114   84  198 Po       -15473.278      17.424      7817.5611     0.0880  B-  -8764.5316    18.1013  197 983388.753      18.705
+  28  113   85  198 At        -6708.747       4.904      7769.3446     0.0248  B-  -5478.4271    14.2879  197 992797.864       5.265
+  26  112   86  198 Rn   -a   -1230.320      13.420      7737.7245     0.0678  B- -10808.0177    33.8991  197 998679.197      14.406
+  24  111   87  198 Fr   -a    9577.698      31.130      7679.1873     0.1572  B-      *                  198 010282.081      33.419
+0 49  124   75  199 Re    x  -14730#        400#         7850#         2#      B-   5541#       447#      198 984187#        429#
+  47  123   76  199 Os    x  -20270#        200#         7874#         1#      B-   4128#       204#      198 978239#        215#
+  45  122   77  199 Ir p-2n  -24398.534      41.054      7891.2066     0.2063  B-   2990.1656    41.0030  198 973807.097      44.073
+  43  121   78  199 Pt   -n  -27388.700       2.159      7902.3011     0.0109  B-   1705.0525     2.1201  198 970597.022       2.317
+  41  120   79  199 Au       -29093.752       0.542      7906.9379     0.0027  B-    452.3142     0.6126  198 968766.573       0.581
+  39  119   80  199 Hg       -29546.066       0.526      7905.2794     0.0027  B-  -1486.6695    27.9498  198 968280.994       0.564
+  37  118   81  199 Tl    x  -28059.397      27.945      7893.8773     0.1404  B-  -2827.6624    28.7653  198 969877.000      30.000
+  35  117   82  199 Pb   +a  -25231.734       6.821      7875.7366     0.0343  B-  -4434.1181    12.6179  198 972912.620       7.322
+  33  116   83  199 Bi       -20797.616      10.615      7849.5232     0.0533  B-  -5558.7875    11.9224  198 977672.841      11.395
+  31  115   84  199 Po   -a  -15238.829       5.429      7817.6582     0.0273  B-  -6415.4515     7.6464  198 983640.445       5.828
+  29  114   85  199 At        -8823.377       5.384      7781.4883     0.0271  B-  -7263.5308     9.0686  198 990527.715       5.780
+  27  113   86  199 Rn   -a   -1559.846       7.297      7741.0568     0.0367  B-  -8331.2349    15.5446  198 998325.436       7.833
+  25  112   87  199 Fr   -a    6771.388      13.726      7695.2599     0.0690  B-      *                  199 007269.384      14.734
+0 48  124   76  200 Os    x  -18550#        300#         7867#         1#      B-   3020#       358#      199 980086#        322#
+  46  123   77  200 Ir    x  -21570#        196#         7878#         1#      B-   5030#       197#      199 976844#        210#
+  44  122   78  200 Pt  -nn  -26599.178      20.110      7899.1986     0.1006  B-    640.9158    33.4386  199 971444.609      21.588
+  42  121   79  200 Au       -27240.094      26.717      7898.4915     0.1336  B-   2263.1737    26.7188  199 970756.558      28.681
+  40  120   80  200 Hg       -29503.267       0.530      7905.8956     0.0027  B-  -2456.0403     5.7346  199 968326.941       0.568
+  38  119   81  200 Tl    -  -27047.227       5.759      7889.7037     0.0288  B-   -796.3695    11.5360  199 970963.608       6.182
+  36  118   82  200 Pb       -26250.858      10.008      7881.8101     0.0500  B-  -5880.2841    24.8094  199 971818.546      10.744
+  34  117   83  200 Bi   +a  -20370.574      22.701      7848.4969     0.1135  B-  -3428.8901    23.9327  199 978131.290      24.370
+  32  116   84  200 Po       -16941.683       7.579      7827.4407     0.0379  B-  -7953.7897    25.6119  199 981812.355       8.136
+  30  115   85  200 At   -a   -8987.894      24.465      7783.7601     0.1223  B-  -4987.4394    25.1411  199 990351.099      26.264
+  28  114   86  200 Rn   -a   -4000.454       5.792      7754.9111     0.0290  B- -10134.0327    31.0688  199 995705.335       6.217
+  26  113   87  200 Fr   -a    6133.578      30.524      7700.3292     0.1526  B-      *                  200 006584.666      32.769
+0 49  125   76  201 Os    x  -14840#        300#         7849#         1#      B-   5000#       361#      200 984069#        322#
+  47  124   77  201 Ir    x  -19840#        200#         7870#         1#      B-   3901#       206#      200 978701#        215#
+  45  123   78  201 Pt    +  -23740.705      50.103      7885.8337     0.2493  B-   2660.0000    50.0000  200 974513.305      53.788
+  43  122   79  201 Au       -26400.705       3.218      7895.1752     0.0160  B-   1261.8237     3.1471  200 971657.678       3.455
+  41  121   80  201 Hg       -27662.529       0.712      7897.5607     0.0036  B-   -481.7508    14.1815  200 970303.054       0.763
+  39  120   81  201 Tl       -27180.778      14.185      7891.2717     0.0706  B-  -1909.7458    18.5299  200 970820.235      15.228
+  37  119   82  201 Pb       -25271.033      13.747      7877.8782     0.0684  B-  -3842.0269    18.3637  200 972870.431      14.758
+  35  118   83  201 Bi   +a  -21429.006      12.177      7854.8713     0.0606  B-  -4907.8397    13.1377  200 976995.017      13.072
+  33  117   84  201 Po       -16521.166       4.942      7826.5619     0.0246  B-  -5731.7247     9.5606  200 982263.799       5.305
+  31  116   85  201 At   +a  -10789.441       8.184      7794.1536     0.0407  B-  -6682.0288    13.0163  200 988417.058       8.786
+  29  115   86  201 Rn   -a   -4107.413      10.121      7757.0174     0.0504  B-  -7695.9856    13.5972  200 995590.511      10.865
+  27  114   87  201 Fr   -a    3588.573       9.080      7714.8367     0.0452  B-  -8348.2439    22.2391  201 003852.491       9.747
+  25  113   88  201 Ra   -a   11936.817      20.301      7669.4108     0.1010  B-      *                  201 012814.699      21.794
+0 50  126   76  202 Os    x  -12530#        400#         7839#         2#      B-   4110#       500#      201 986548#        429#
+  48  125   77  202 Ir    x  -16640#        300#         7855#         1#      B-   6052#       301#      201 982136#        322#
+  46  124   78  202 Pt    x  -22692.128      25.150      7881.5609     0.1245  B-   1660.8540    34.2759  201 975639.000      27.000
+  44  123   79  202 Au    x  -24352.982      23.287      7885.9100     0.1153  B-   2992.3278    23.2980  201 973856.000      25.000
+  42  122   80  202 Hg       -27345.310       0.705      7896.8505     0.0035  B-  -1364.8906     1.8348  201 970643.604       0.757
+  40  121   81  202 Tl       -25980.419       1.838      7886.2206     0.0091  B-    -39.8110     4.1863  201 972108.874       1.972
+  38  120   82  202 Pb       -25940.608       3.796      7882.1505     0.0188  B-  -5189.7539    14.5070  201 972151.613       4.075
+  36  119   83  202 Bi       -20750.854      14.002      7852.5857     0.0693  B-  -2809.2850    16.4660  201 977723.042      15.032
+  34  118   84  202 Po       -17941.569       8.670      7834.8053     0.0429  B-  -7346.4628    28.9311  201 980738.934       9.307
+  32  117   85  202 At       -10595.106      27.601      7794.5637     0.1366  B-  -4320.5458    32.6924  201 988625.686      29.631
+  30  116   86  202 Rn   -a   -6274.561      17.520      7769.3018     0.0867  B-  -9376.0984    18.5296  201 993263.982      18.808
+  28  115   87  202 Fr   -a    3101.538       6.033      7719.0125     0.0299  B-  -5973.3620    16.1841  202 003329.637       6.476
+  26  114   88  202 Ra   -a    9074.900      15.018      7685.5684     0.0743  B-      *                  202 009742.305      16.122
+0 51  127   76  203 Os    x   -7270#        400#         7814#         2#      B-   7100#       565#      202 992195#        429#
+  49  126   77  203 Ir    x  -14370#        400#         7845#         2#      B-   5140#       447#      202 984573#        429#
+  47  125   78  203 Pt    x  -19510#        200#         7867#         1#      B-   3633#       200#      202 979055#        215#
+  45  124   79  203 Au       -23143.444       3.083      7880.8650     0.0152  B-   2125.7592     3.4514  202 975154.492       3.309
+  43  123   80  203 Hg       -25269.203       1.630      7887.4828     0.0080  B-    492.1062     1.2247  202 972872.396       1.750
+  41  122   81  203 Tl       -25761.309       1.171      7886.0530     0.0058  B-   -974.8265     6.4609  202 972344.098       1.257
+  39  121   82  203 Pb       -24786.483       6.554      7877.3970     0.0323  B-  -3261.5896    14.3559  202 973390.617       7.036
+  37  120   83  203 Bi   +a  -21524.893      12.778      7857.4762     0.0629  B-  -4214.0744    13.5942  202 976892.077      13.717
+  35  119   84  203 Po       -17310.819       4.640      7832.8632     0.0229  B-  -5148.2116    11.5921  202 981416.072       4.981
+  33  118   85  203 At       -12162.607      10.623      7803.6487     0.0523  B-  -5978.5623    12.1098  202 986942.904      11.404
+  31  117   86  203 Rn   -a   -6184.045       5.815      7770.3437     0.0286  B-  -7060.4572     8.5231  202 993361.155       6.242
+  29  116   87  203 Fr          876.412       6.232      7731.7092     0.0307  B-  -7724.9182    11.5191  203 000940.867       6.689
+  27  115   88  203 Ra   -a    8601.331       9.688      7689.8015     0.0477  B-      *                  203 009233.907      10.400
+0 50  127   77  204 Ir    x   -9570#        400#         7823#         2#      B-   8050#       447#      203 989726#        429#
+  48  126   78  204 Pt    x  -17620#        200#         7859#         1#      B-   2770#       283#      203 981084#        215#
+  46  125   79  204 Au    +  -20390#        200#         7868#         1#      B-   4300#       200#      203 978110#        215#
+  44  124   80  204 Hg       -24690.148       0.498      7885.5455     0.0025  B-   -344.0781     1.1876  203 973494.037       0.534
+  42  123   81  204 Tl       -24346.070       1.154      7880.0238     0.0057  B-    763.7453     0.1768  203 973863.420       1.238
+  40  122   82  204 Pb       -25109.815       1.147      7879.9326     0.0056  B-  -4463.8883     9.2480  203 973043.506       1.231
+  38  121   83  204 Bi   +a  -20645.927       9.180      7854.2157     0.0450  B-  -2304.8814    13.6253  203 977835.687       9.854
+  36  120   84  204 Po       -18341.045      10.071      7839.0823     0.0494  B-  -6465.7939    24.8047  203 980310.078      10.811
+  34  119   85  204 At       -11875.252      22.668      7803.5522     0.1111  B-  -3905.1360    23.8592  203 987251.393      24.335
+  32  118   86  204 Rn        -7970.115       7.444      7780.5743     0.0365  B-  -8577.4239    25.6840  203 991443.729       7.991
+  30  117   87  204 Fr   -a     607.308      24.581      7734.6931     0.1205  B-  -5453.7889    26.1514  204 000651.972      26.389
+  28  116   88  204 Ra   -a    6061.097       8.924      7704.1238     0.0437  B-      *                  204 006506.855       9.580
+0 51  128   77  205 Ir    x   -5600#        500#         7805#         2#      B-   7220#       583#      204 993988#        537#
+  49  127   78  205 Pt    x  -12820#        300#         7836#         1#      B-   5750#       361#      204 986237#        322#
+  47  126   79  205 Au    x  -18570#        200#         7860#         1#      B-   3717#       200#      204 980064#        215#
+  45  125   80  205 Hg       -22287.719       3.655      7874.7325     0.0178  B-   1533.0836     3.7238  204 976073.151       3.923
+  43  124   81  205 Tl       -23820.802       1.239      7878.3946     0.0060  B-    -50.6402     0.5033  204 974427.318       1.330
+  41  123   82  205 Pb       -23770.162       1.145      7874.3313     0.0056  B-  -2704.5927     4.8196  204 974481.682       1.228
+  39  122   83  205 Bi       -21065.569       4.808      7857.3218     0.0235  B-  -3544.1710    11.1458  204 977385.182       5.161
+  37  121   84  205 Po       -17521.398      10.059      7836.2168     0.0491  B-  -4536.8793    15.6996  204 981190.006      10.798
+  35  120   85  205 At   +a  -12984.519      12.055      7810.2694     0.0588  B-  -5274.7547    13.0777  204 986060.546      12.941
+  33  119   86  205 Rn        -7709.764       5.080      7780.7226     0.0248  B-  -6399.9479     9.3288  204 991723.228       5.453
+  31  118   87  205 Fr    x   -1309.816       7.824      7745.6870     0.0382  B-  -7113.6693    24.0784  204 998593.854       8.399
+  29  117   88  205 Ra   -a    5803.853      22.772      7707.1698     0.1111  B-  -8302.8357    63.5402  205 006230.692      24.446
+  27  116   89  205 Ac   -a   14106.689      59.320      7662.8519     0.2894  B-      *                  205 015144.152      63.682
+0 50  128   78  206 Pt    x   -9240#        300#         7820#         1#      B-   4950#       424#      205 990080#        322#
+  48  127   79  206 Au    x  -14190#        300#         7840#         1#      B-   6755#       301#      205 984766#        322#
+  46  126   80  206 Hg   +a  -20945.728      20.441      7869.1723     0.0992  B-   1307.5659    20.4100  205 977513.837      21.943
+  44  125   81  206 Tl       -22253.293       1.286      7871.7219     0.0062  B-   1532.2128     0.6117  205 976110.108       1.380
+  42  124   82  206 Pb       -23785.506       1.144      7875.3620     0.0056  B-  -3757.3057     7.5461  205 974465.210       1.228
+  40  123   83  206 Bi    -  -20028.201       7.632      7853.3249     0.0371  B-  -1839.5323     8.6005  205 978498.843       8.193
+  38  122   84  206 Po   -a  -18188.668       4.012      7840.5973     0.0195  B-  -5749.2803    14.1099  205 980473.662       4.306
+  36  121   85  206 At       -12439.388      13.529      7808.8904     0.0657  B-  -3306.4697    16.0227  205 986645.768      14.523
+  34  120   86  206 Rn        -9132.918       8.591      7789.0417     0.0417  B-  -7886.0592    29.1075  205 990195.409       9.223
+  32  119   87  206 Fr        -1246.859      27.811      7746.9621     0.1350  B-  -4812.4721    33.1318  205 998661.441      29.856
+  30  118   88  206 Ra   -a    3565.613      18.008      7719.8028     0.0874  B-  -9919.1406    67.5328  206 003827.842      19.332
+  28  117   89  206 Ac   -a   13484.754      65.088      7667.8538     0.3160  B-      *                  206 014476.477      69.874
+0 51  129   78  207 Pt    x   -4140#        400#         7797#         2#      B-   6501#       500#      206 995556#        429#
+  49  128   79  207 Au    x  -10640#        300#         7824#         1#      B-   5847#       301#      206 988577#        322#
+  47  127   80  207 Hg    x  -16487.446      29.808      7848.6112     0.1440  B-   4546.9906    30.3000  206 982300.000      32.000
+  45  126   81  207 Tl       -21034.436       5.439      7866.7979     0.0263  B-   1417.5323     5.4024  206 977418.605       5.839
+  43  125   82  207 Pb       -22451.968       1.147      7869.8664     0.0055  B-  -2397.4140     2.1175  206 975896.821       1.231
+  41  124   83  207 Bi       -20054.554       2.397      7854.5053     0.0116  B-  -2908.8541     6.6140  206 978470.551       2.573
+  39  123   84  207 Po       -17145.700       6.659      7836.6734     0.0322  B-  -3918.2186    14.0754  206 981593.334       7.148
+  37  122   85  207 At   +a  -13227.482      12.406      7813.9653     0.0599  B-  -4592.7400    13.2815  206 985799.715      13.318
+  35  121   86  207 Rn        -8634.742       4.742      7787.9987     0.0229  B-  -5785.7211    18.1857  206 990730.224       5.090
+  33  120   87  207 Fr        -2849.021      17.557      7756.2689     0.0848  B-  -6363.0084    60.8726  206 996941.450      18.847
+  31  119   88  207 Ra   -a    3513.988      58.286      7721.7503     0.2816  B-  -7632.2404    81.0004  207 003772.420      62.572
+  29  118   89  207 Ac   -a   11146.228      56.248      7681.1001     0.2717  B-      *                  207 011965.967      60.384
+0 52  130   78  208 Pt    x    -500#        400#         7780#         2#      B-   5410#       500#      207 999463#        429#
+  50  129   79  208 Au    x   -5910#        300#         7803#         1#      B-   7355#       302#      207 993655#        322#
+  48  128   80  208 Hg    x  -13265.408      30.739      7834.1914     0.1478  B-   3484.7131    30.7951  207 985759.000      33.000
+  46  127   81  208 Tl   +a  -16750.121       1.854      7847.1835     0.0089  B-   4998.3984     1.6693  207 982018.006       1.989
+  44  126   82  208 Pb       -21748.519       1.148      7867.4530     0.0055  B-  -2878.3680     2.0127  207 976652.005       1.232
+  42  125   83  208 Bi   +n  -18870.151       2.305      7849.8534     0.0111  B-  -1400.9438     2.3787  207 979742.060       2.474
+  40  124   84  208 Po       -17469.207       1.672      7839.3568     0.0080  B-  -4999.3061     9.0736  207 981246.035       1.795
+  38  123   85  208 At   +a  -12469.901       8.921      7811.5604     0.0429  B-  -2814.5118    13.5215  207 986613.011       9.577
+  36  122   86  208 Rn        -9655.389      10.163      7794.2678     0.0489  B-  -6990.4614    15.4656  207 989634.513      10.910
+  34  121   87  208 Fr        -2664.928      11.657      7756.8985     0.0560  B-  -4392.8615    14.7413  207 997139.082      12.514
+  32  120   88  208 Ra   -a    1727.934       9.023      7732.0177     0.0434  B-  -9032.9208    65.1111  208 001855.012       9.686
+  30  119   89  208 Ac   -a   10760.854      64.483      7684.8289     0.3100  B-  -5927.1868    71.9264  208 011552.251      69.225
+  28  118   90  208 Th   -a   16688.041      31.865      7652.5716     0.1532  B-      *                  208 017915.348      34.208
+0 51  130   79  209 Au    x   -2230#        400#         7786#         2#      B-   6380#       427#      208 997606#        429#
+  49  129   80  209 Hg    x   -8610#        150#         7813#         1#      B-   5035#       150#      208 990757#        161#
+  47  128   81  209 Tl   +a  -13644.793       6.110      7833.3979     0.0292  B-   3969.7809     6.2115  208 985351.713       6.559
+  45  127   82  209 Pb       -17614.574       1.747      7848.6488     0.0084  B-    644.0152     1.1462  208 981089.978       1.875
+  43  126   83  209 Bi       -18258.589       1.365      7847.9869     0.0065  B-  -1892.5741     1.5635  208 980398.599       1.465
+  41  125   84  209 Po   -a  -16366.015       1.778      7835.1882     0.0085  B-  -3482.2417     4.9599  208 982430.361       1.909
+  39  124   85  209 At       -12883.773       4.745      7814.7835     0.0227  B-  -3942.7237    11.0298  208 986168.701       5.094
+  37  123   86  209 Rn        -8941.049       9.960      7792.1755     0.0477  B-  -5158.9051    15.2153  208 990401.389      10.692
+  35  122   87  209 Fr        -3782.144      11.503      7763.7485     0.0550  B-  -5640.3845    12.8549  208 995939.701      12.349
+  33  121   88  209 Ra   -a    1858.240       5.747      7733.0177     0.0275  B-  -6986.6464    56.1409  209 001994.902       6.169
+  31  120   89  209 Ac   -a    8844.887      55.846      7695.8455     0.2672  B-  -7550#       117#      209 009495.375      59.953
+  29  119   90  209 Th   IT   16395#        103#         7656#         0#      B-      *                  209 017601#        111#
+0 52  131   79  210 Au    x    2680#        400#         7764#         2#      B-   7980#       447#      210 002877#        429#
+  50  130   80  210 Hg    x   -5300#        200#         7799#         1#      B-   3947#       201#      209 994310#        215#
+  48  129   81  210 Tl   +a   -9246.996      11.603      7813.5890     0.0553  B-   5481.4334    11.5610  209 990072.942      12.456
+  46  128   82  210 Pb       -14728.429       1.448      7835.9656     0.0069  B-     63.4758     0.4992  209 984188.381       1.554
+  44  127   83  210 Bi       -14791.905       1.364      7832.5424     0.0065  B-   1161.1549     0.7662  209 984120.237       1.463
+  42  126   84  210 Po       -15953.060       1.146      7834.3462     0.0055  B-  -3980.9605     7.6101  209 982873.686       1.230
+  40  125   85  210 At   -a  -11972.099       7.695      7811.6638     0.0366  B-  -2367.3352     8.9225  209 987147.423       8.261
+  38  124   86  210 Rn   -a   -9604.764       4.557      7796.6653     0.0217  B-  -6261.2558    14.1720  209 989688.862       4.892
+  36  123   87  210 Fr        -3343.508      13.420      7763.1243     0.0639  B-  -3786.3467    16.2633  209 996410.596      14.407
+  34  122   88  210 Ra   -a     442.839       9.193      7741.3687     0.0438  B-  -8321.2403    62.8832  210 000475.406       9.868
+  32  121   89  210 Ac         8764.079      62.208      7698.0182     0.2962  B-  -5295.4420    65.0180  210 009408.625      66.782
+  30  120   90  210 Th   -a   14059.521      18.909      7669.0764     0.0900  B-      *                  210 015093.515      20.299
+0 51  131   80  211 Hg    x    -390#        200#         7777#         1#      B-   5688#       205#      210 999581#        215#
+  49  130   81  211 Tl    x   -6077.999      41.917      7799.7915     0.1987  B-   4415.0129    41.9781  210 993475.000      45.000
+  47  129   82  211 Pb       -10493.012       2.260      7817.0079     0.0107  B-   1366.1041     5.4713  210 988735.288       2.426
+  45  128   83  211 Bi       -11859.116       5.442      7819.7745     0.0258  B-    573.3763     5.4297  210 987268.715       5.842
+  43  127   84  211 Po   -a  -12432.492       1.255      7818.7842     0.0060  B-   -785.3012     2.5385  210 986653.171       1.347
+  41  126   85  211 At   -a  -11647.191       2.729      7811.3545     0.0129  B-  -2891.8615     6.8937  210 987496.226       2.929
+  39  125   86  211 Rn   -a   -8755.330       6.813      7793.9412     0.0323  B-  -4615.0152    13.7862  210 990600.767       7.314
+  37  124   87  211 Fr        -4140.314      11.991      7768.3613     0.0568  B-  -4972.1844    12.9786  210 995555.189      12.872
+  35  123   88  211 Ra          831.870       4.966      7741.0887     0.0235  B-  -6311.6152    53.9818  211 000893.049       5.331
+  33  122   89  211 Ac         7143.485      53.753      7707.4680     0.2548  B-  -6732.9111   101.4758  211 007668.846      57.706
+  31  121   90  211 Th   -a   13876.396      86.070      7671.8506     0.4079  B-  -8175.8296   110.6091  211 014896.923      92.399
+  29  120   91  211 Pa   -a   22052.226      69.472      7629.3948     0.3293  B-      *                  211 023674.036      74.581
+0 52  132   80  212 Hg    x    3020#        300#         7762#         1#      B-   4571#       361#      212 003242#        322#
+  50  131   81  212 Tl   +a   -1551#        200#         7780#         1#      B-   5998#       200#      211 998335#        215#
+  48  130   82  212 Pb        -7548.929       1.840      7804.3203     0.0087  B-    569.0133     1.8246  211 991895.891       1.975
+  46  129   83  212 Bi        -8117.943       1.853      7803.3140     0.0087  B-   2251.4656     1.6671  211 991285.030       1.989
+  44  128   84  212 Po       -10369.408       1.153      7810.2438     0.0054  B-  -1741.2596     2.1066  211 988867.982       1.237
+  42  127   85  212 At   -a   -8628.149       2.385      7798.3400     0.0113  B-     31.0705     3.5927  211 990737.301       2.559
+  40  126   86  212 Rn   -a   -8659.219       3.110      7794.7963     0.0147  B-  -5143.2210     9.3064  211 990703.946       3.338
+  38  125   87  212 Fr        -3515.998       8.775      7766.8455     0.0414  B-  -3317.2355    13.4939  211 996225.420       9.419
+  36  124   88  212 Ra         -198.763      10.254      7747.5078     0.0484  B-  -7498.3626    24.1666  211 999786.619      11.007
+  34  123   89  212 Ac         7299.600      21.883      7708.4479     0.1032  B-  -4811.2864    24.1055  212 007836.442      23.492
+  32  122   90  212 Th   -a   12110.886      10.109      7682.0628     0.0477  B-  -9485.6366    88.1858  212 013001.570      10.852
+  30  121   91  212 Pa   -a   21596.523      87.604      7633.6289     0.4132  B-      *                  212 023184.819      94.047
+0 53  133   80  213 Hg    x    8200#        300#         7739#         1#      B-   6416#       301#      213 008803#        322#
+  51  132   81  213 Tl    x    1783.811      27.013      7765.4311     0.1268  B-   4987.4088    27.8941  213 001915.000      29.000
+  49  131   82  213 Pb   +a   -3203.598       6.954      7785.1732     0.0326  B-   2028.0730     8.3708  212 996560.796       7.465
+  47  130   83  213 Bi        -5231.671       5.082      7791.0217     0.0239  B-   1421.8481     5.4898  212 994383.570       5.455
+  45  129   84  213 Po        -6653.519       3.053      7794.0240     0.0143  B-    -73.9972     5.4646  212 992857.154       3.277
+  43  128   85  213 At   -a   -6579.522       4.898      7790.0036     0.0230  B-   -883.5727     5.7243  212 992936.593       5.258
+  41  127   86  213 Rn   -a   -5695.949       3.370      7782.1824     0.0158  B-  -2141.7493     5.6996  212 993885.147       3.618
+  39  126   87  213 Fr        -3554.199       4.707      7768.4543     0.0221  B-  -3899.7568    10.8862  212 996184.410       5.053
+  37  125   88  213 Ra          345.557       9.818      7746.4726     0.0461  B-  -5795.4721    15.2463  213 000370.971      10.540
+  35  124   89  213 Ac         6141.029      11.665      7715.5908     0.0548  B-  -5979.0781    14.8635  213 006592.665      12.522
+  33  123   90  213 Th   -a   12120.108       9.217      7683.8470     0.0433  B-  -7534.0866    57.9078  213 013011.470       9.895
+  31  122   91  213 Pa   -a   19654.194      57.170      7644.8027     0.2684  B-      *                  213 021099.644      61.374
+0 54  134   80  214 Hg    x   11770#        400#         7724#         2#      B-   5306#       445#      214 012636#        429#
+  52  133   81  214 Tl    x    6465#        196#         7745#         1#      B-   6648#       196#      214 006940#        210#
+  50  132   82  214 Pb         -183.019       1.969      7772.3955     0.0092  B-   1017.7611    11.2559  213 999803.521       2.114
+  48  131   83  214 Bi        -1200.780      11.209      7773.4955     0.0524  B-   3269.1925    11.1649  213 998710.909      12.033
+  46  130   84  214 Po        -4469.972       1.449      7785.1163     0.0068  B-  -1090.8208     3.7750  213 995201.287       1.556
+  44  129   85  214 At        -3379.151       3.982      7776.3632     0.0186  B-    940.5125     9.8827  213 996372.331       4.274
+  42  128   86  214 Rn   -a   -4319.664       9.187      7777.1023     0.0429  B-  -3361.3369    12.4238  213 995362.650       9.862
+  40  127   87  214 Fr   -a    -958.327       8.519      7757.7393     0.0398  B-  -1051.0675     9.9879  213 998971.193       9.145
+  38  126   88  214 Ra   -a      92.740       5.250      7749.1719     0.0245  B-  -6340.5313    14.5317  214 000099.560       5.636
+  36  125   89  214 Ac         6433.272      13.551      7715.8874     0.0633  B-  -4261.6599    17.2389  214 006906.400      14.547
+  34  124   90  214 Th   -a   10694.932      10.661      7692.3173     0.0498  B-  -8764.9630    81.9051  214 011481.480      11.445
+  32  123   91  214 Pa   -a   19459.895      81.208      7647.7037     0.3795  B-      *                  214 020891.055      87.180
+0 55  135   80  215 Hg    x   17110#        400#         7701#         2#      B-   7079#       500#      215 018368#        429#
+  53  134   81  215 Tl    x   10030#        300#         7730#         1#      B-   5688#       305#      215 010768#        322#
+  51  133   82  215 Pb   +a    4342.245      52.685      7752.7381     0.2450  B-   2712.9729    52.9848  215 004661.591      56.560
+  49  132   83  215 Bi         1629.272       5.624      7761.7177     0.0262  B-   2171.0426     5.5297  215 001749.095       6.037
+  47  131   84  215 Po         -541.771       2.120      7768.1768     0.0099  B-    714.8128     6.6491  214 999418.385       2.276
+  45  130   85  215 At   -a   -1256.583       6.629      7767.8627     0.0308  B-    -87.5935     8.9062  214 998651.002       7.116
+  43  129   86  215 Rn   -a   -1168.990       6.090      7763.8164     0.0283  B-  -1487.1274     9.1890  214 998745.037       6.538
+  41  128   87  215 Fr   -a     318.137       7.066      7753.2607     0.0329  B-  -2213.8573     9.7691  215 000341.534       7.585
+  39  127   88  215 Ra   -a    2531.995       7.201      7739.3249     0.0335  B-  -3498.5554    14.3395  215 002718.208       7.730
+  37  126   89  215 Ac   -a    6030.550      12.406      7719.4137     0.0577  B-  -4890.8833    13.9296  215 006474.061      13.318
+  35  125   90  215 Th   -a   10921.434       6.335      7693.0266     0.0295  B-  -6883.1037    82.6932  215 011724.640       6.800
+  33  124   91  215 Pa   -a   17804.537      82.450      7657.3733     0.3835  B-  -7084.7747   132.8246  215 019113.955      88.513
+  31  123   92  215 U    -a   24889.312     104.136      7620.7821     0.4844  B-      *                  215 026719.774     111.794
+0 56  136   80  216 Hg    x   20920#        400#         7685#         2#      B-   6050#       500#      216 022459#        429#
+  54  135   81  216 Tl    x   14870#        300#         7709#         1#      B-   7361#       361#      216 015964#        322#
+  52  134   82  216 Pb    x    7510#        200#         7740#         1#      B-   1636#       201#      216 008062#        215#
+  50  133   83  216 Bi    x    5873.988      11.178      7743.4996     0.0518  B-   4091.6520    11.3243  216 006305.985      12.000
+  48  132   84  216 Po         1782.336       1.815      7758.8205     0.0084  B-   -474.3423     3.5713  216 001913.416       1.948
+  46  131   85  216 At   -a    2256.678       3.575      7753.0024     0.0166  B-   2003.3657     6.6383  216 002422.643       3.837
+  44  130   86  216 Rn   -a     253.312       5.768      7758.6553     0.0267  B-  -2717.7096     6.9366  216 000271.942       6.192
+  42  129   87  216 Fr   -a    2971.022       4.174      7742.4513     0.0193  B-   -320.4441     8.8904  216 003189.523       4.480
+  40  128   88  216 Ra   -a    3291.466       8.004      7737.3458     0.0371  B-  -4858.2701    12.2147  216 003533.534       8.592
+  38  127   89  216 Ac         8149.736       9.230      7711.2319     0.0427  B-  -2148.8006    14.4375  216 008749.101       9.908
+  36  126   90  216 Th   -a   10298.537      11.104      7697.6617     0.0514  B-  -7525.2616    27.0327  216 011055.933      11.920
+  34  125   91  216 Pa   -a   17823.799      24.647      7659.2006     0.1141  B-  -5242.6308    37.3721  216 019134.633      26.459
+  32  124   92  216 U    -a   23066.429      28.093      7631.3072     0.1301  B-      *                  216 024762.829      30.158
+0 55  136   81  217 Tl    x   18660#        400#         7693#         2#      B-   6399#       500#      217 020032#        429#
+  53  135   82  217 Pb    x   12260#        300#         7719#         1#      B-   3530#       300#      217 013162#        322#
+  51  134   83  217 Bi    x    8729.963      17.698      7731.8491     0.0816  B-   2846.5103    18.8695  217 009372.000      19.000
+  49  133   84  217 Po   +a    5883.452       6.544      7741.3614     0.0302  B-   1488.8543     7.9791  217 006316.145       7.025
+  47  132   85  217 At         4394.598       5.001      7744.6172     0.0230  B-    736.0320     6.1505  217 004717.794       5.368
+  45  131   86  217 Rn   -a    3658.566       4.198      7744.4037     0.0193  B-   -656.0967     7.5383  217 003927.632       4.506
+  43  130   87  217 Fr   -a    4314.663       6.531      7737.7750     0.0301  B-  -1574.8729     9.4723  217 004631.980       7.011
+  41  129   88  217 Ra   -a    5889.536       7.047      7726.9122     0.0325  B-  -2812.7853    13.2129  217 006322.676       7.564
+  39  128   89  217 Ac   -a    8702.321      11.223      7710.3448     0.0517  B-  -3503.4590    15.4454  217 009342.325      12.048
+  37  127   90  217 Th   -a   12205.780      10.614      7690.5945     0.0489  B-  -4848.9680    16.3966  217 013103.443      11.394
+  35  126   91  217 Pa   -a   17054.748      12.498      7664.6438     0.0576  B-  -5916#        81#      217 018309.024      13.417
+  33  125   92  217 U    -a   22971#         81#         7634#         0#      B-      *                  217 024660#         86#
+0 56  137   81  218 Tl    x   23710#        400#         7672#         2#      B-   8081#       500#      218 025454#        429#
+  54  136   82  218 Pb    x   15630#        300#         7705#         1#      B-   2414#       301#      218 016779#        322#
+  52  135   83  218 Bi    x   13216.038      27.013      7712.8280     0.1239  B-   4859.3866    27.0849  218 014188.000      29.000
+  50  134   84  218 Po         8356.652       1.967      7731.5300     0.0090  B-    256.4334    11.5490  218 008971.234       2.112
+  48  133   85  218 At   -a    8100.218      11.503      7729.1175     0.0528  B-   2882.8048    11.6054  218 008695.941      12.349
+  46  132   86  218 Rn         5217.413       2.316      7738.7527     0.0106  B-  -1842.0267     4.4418  218 005601.123       2.486
+  44  131   87  218 Fr   -a    7059.440       4.235      7726.7143     0.0194  B-    413.8838    10.5603  218 007578.620       4.546
+  42  130   88  218 Ra   -a    6645.556       9.807      7725.0241     0.0450  B-  -4205.2887    58.4224  218 007134.297      10.528
+  40  129   89  218 Ac   -a   10850.845      57.616      7702.1450     0.2643  B-  -1515.9019    58.5648  218 011648.860      61.853
+  38  128   90  218 Th   -a   12366.747      10.516      7691.6026     0.0482  B-  -6282.8212    20.7132  218 013276.248      11.289
+  36  127   91  218 Pa   -a   18649.568      17.846      7659.1935     0.0819  B-  -3245.0869    22.5042  218 020021.133      19.158
+  34  126   92  218 U    -a   21894.655      13.714      7640.7191     0.0629  B-      *                  218 023504.877      14.722
+0 55  137   82  219 Pb    x   20620#        400#         7684#         2#      B-   4300#       447#      219 022136#        429#
+  53  136   83  219 Bi    x   16320#        200#         7700#         1#      B-   3638#       201#      219 017520#        215#
+  51  135   84  219 Po    x   12681.361      15.835      7713.3340     0.0723  B-   2285.3395    16.1628  219 013614.000      17.000
+  49  134   85  219 At        10396.021       3.237      7720.1970     0.0148  B-   1566.6838     2.9473  219 011160.587       3.474
+  47  133   86  219 Rn         8829.337       2.100      7723.7784     0.0096  B-    212.3984     6.8938  219 009478.683       2.254
+  45  132   87  219 Fr   -a    8616.939       6.874      7721.1759     0.0314  B-   -776.9137     9.5906  219 009250.664       7.380
+  43  131   88  219 Ra   -a    9393.853       6.814      7714.0560     0.0311  B-  -2175.7005    51.9016  219 010084.715       7.315
+  41  130   89  219 Ac   -a   11569.553      51.477      7700.5489     0.2351  B-  -2893.2268    76.3627  219 012420.425      55.263
+  39  129   90  219 Th   -a   14462.780      56.460      7683.7655     0.2578  B-  -4120.4434    89.7010  219 015526.432      60.611
+  37  128   91  219 Pa   -a   18583.223      69.705      7661.3783     0.3183  B-  -4712.7298    70.9693  219 019949.909      74.831
+  35  127   92  219 U    -a   23295.953      13.338      7636.2867     0.0609  B-  -6140.9976    92.9309  219 025009.233      14.319
+  33  126   93  219 Np   -a   29436.951      91.969      7604.6732     0.4199  B-      *                  219 031601.865      98.732
+0 56  138   82  220 Pb    x   24130#        400#         7670#         2#      B-   3171#       500#      220 025905#        429#
+  54  137   83  220 Bi    x   20960#        300#         7681#         1#      B-   5696#       300#      220 022501#        322#
+  52  136   84  220 Po    x   15263.462      17.698      7703.2244     0.0804  B-    887.7139    22.5491  220 016386.000      19.000
+  50  135   85  220 At    x   14375.748      13.972      7703.7033     0.0635  B-   3763.7550    14.0896  220 015433.000      15.000
+  48  134   86  220 Rn        10611.994       1.814      7717.2552     0.0082  B-   -870.3384     4.0256  220 011392.443       1.947
+  46  133   87  220 Fr   -a   11482.332       4.028      7709.7430     0.0183  B-   1210.2406     8.4809  220 012326.789       4.324
+  44  132   88  220 Ra   -a   10272.091       7.595      7711.6879     0.0345  B-  -3471.6640     9.6266  220 011027.542       8.153
+  42  131   89  220 Ac   -a   13743.755       6.129      7692.3515     0.0279  B-   -945.7825    14.9144  220 014754.527       6.579
+  40  130   90  220 Th   -a   14689.538      13.687      7684.4964     0.0622  B-  -5588.8595    20.0508  220 015769.866      14.693
+  38  129   91  220 Pa   -a   20278.397      14.655      7655.5364     0.0666  B-  -2735#       102#      220 021769.753      15.732
+  36  128   92  220 U    -a   23013#        101#         7640#         0#      B-  -7462#       105#      220 024706#        108#
+  34  127   93  220 Np   -a   30475.022      30.718      7602.0758     0.1396  B-      *                  220 032716.280      32.977
+0 55  138   83  221 Bi    x   24200#        300#         7668#         1#      B-   4426#       301#      221 025980#        322#
+  53  137   84  221 Po    x   19773.757      19.561      7684.4814     0.0885  B-   2991.0276    24.0390  221 021228.000      21.000
+  51  136   85  221 At    x   16782.729      13.972      7694.4754     0.0632  B-   2311.3750    15.0957  221 018017.000      15.000
+  49  135   86  221 Rn   +a   14471.354       5.714      7701.3941     0.0259  B-   1194.1032     7.2312  221 015535.637       6.134
+  47  134   87  221 Fr        13277.251       4.886      7703.2572     0.0221  B-    313.3741     6.3858  221 014253.714       5.245
+  45  133   88  221 Ra   -a   12963.877       4.630      7701.1352     0.0210  B-  -1567.1715    57.0591  221 013917.293       4.970
+  43  132   89  221 Ac   -a   14531.048      56.901      7690.5039     0.2575  B-  -2408.8773    57.4376  221 015599.721      61.086
+  41  131   90  221 Th   -a   16939.926       7.994      7676.0640     0.0362  B-  -3435.0112    59.9069  221 018185.757       8.582
+  39  130   91  221 Pa   -a   20374.937      59.380      7656.9809     0.2687  B-  -4145.0590    93.4311  221 021873.393      63.746
+  37  129   92  221 U    -a   24519.996      72.135      7634.6849     0.3264  B-  -5390#       213#      221 026323.297      77.440
+  35  128   93  221 Np    x   29910#        200#         7607#         1#      B-  -6019#       361#      221 032110#        215#
+  33  127   94  221 Pu    x   35930#        300#         7576#         1#      B-      *                  221 038572#        322#
+0 56  139   83  222 Bi    x   28950#        300#         7648#         1#      B-   6464#       303#      222 031079#        322#
+  54  138   84  222 Po    x   22486.268      40.054      7674.0054     0.1804  B-   1533.2393    43.0709  222 024140.000      43.000
+  52  137   85  222 At    x   20953.028      15.835      7677.3878     0.0713  B-   4581.0714    15.9542  222 022494.000      17.000
+  50  136   86  222 Rn        16371.957       1.944      7694.4991     0.0088  B-     -6.1461     7.7013  222 017576.017       2.086
+  48  135   87  222 Fr    x   16378.103       7.452      7690.9474     0.0336  B-   2057.8980     8.6816  222 017582.615       8.000
+  46  134   88  222 Ra        14320.205       4.454      7696.6931     0.0201  B-  -2301.5922     6.2737  222 015373.371       4.781
+  44  133   89  222 Ac   -a   16621.797       4.699      7682.8015     0.0212  B-   -581.2415    11.1289  222 017844.232       5.044
+  42  132   90  222 Th   -a   17203.039      10.216      7676.6592     0.0460  B-  -4861.3220    87.1915  222 018468.220      10.966
+  40  131   91  222 Pa   -a   22064.361      86.606      7651.2373     0.3901  B-  -2208.4729   101.0129  222 023687.064      92.975
+  38  130   92  222 U    -a   24272.834      51.994      7637.7651     0.2342  B-  -7001.8072    64.4300  222 026057.957      55.817
+  36  129   93  222 Np   -a   31274.641      38.051      7602.7013     0.1714  B-  -3785#       302#      222 033574.706      40.849
+  34  128   94  222 Pu    x   35060#        300#         7582#         1#      B-      *                  222 037638#        322#
+0 57  140   83  223 Bi    x   32240#        400#         7636#         2#      B-   5161#       445#      223 034611#        429#
+  55  139   84  223 Po    x   27079#        196#         7655#         1#      B-   3651#       196#      223 029070#        210#
+  53  138   85  223 At    x   23428.008      13.972      7668.0557     0.0627  B-   3038.2698    16.0129  223 025151.000      15.000
+  51  137   86  223 Rn        20389.738       7.822      7678.1720     0.0351  B-   2007.4091     8.0568  223 021889.283       8.397
+  49  136   87  223 Fr        18382.329       1.931      7683.6655     0.0087  B-   1149.0844     0.8476  223 019734.241       2.073
+  47  135   88  223 Ra        17233.245       2.090      7685.3101     0.0094  B-   -591.8099     6.9657  223 018500.648       2.243
+  45  134   89  223 Ac   -a   17825.055       6.947      7679.1479     0.0312  B-  -1560.3471    10.4712  223 019135.982       7.457
+  43  133   90  223 Th   -a   19385.402       7.943      7668.6426     0.0356  B-  -2952.2124    76.0305  223 020811.083       8.527
+  41  132   91  223 Pa   -a   22337.614      75.632      7651.8957     0.3392  B-  -3707.6637    95.9225  223 023980.414      81.193
+  39  131   92  223 U    -a   26045.278      59.054      7631.7611     0.2648  B-  -4613.3046   101.7520  223 027960.754      63.396
+  37  130   93  223 Np   -a   30658.583      82.863      7607.5654     0.3716  B-  -5462#       311#      223 032913.340      88.956
+  35  129   94  223 Pu    x   36121#        300#         7580#         1#      B-  -6579#       424#      223 038777#        322#
+  33  128   95  223 Am    x   42700#        300#         7547#         1#      B-      *                  223 045840#        322#
+0 58  141   83  224 Bi    x   37070#        400#         7616#         2#      B-   7159#       445#      224 039796#        429#
+  56  140   84  224 Po    x   29910#        196#         7644#         1#      B-   2199#       197#      224 032110#        210#
+  54  139   85  224 At    x   27711.018      22.356      7650.7354     0.0998  B-   5265.9197    24.4153  224 029749.000      24.000
+  52  138   86  224 Rn        22445.098       9.814      7670.7514     0.0438  B-    696.4840    14.8750  224 024095.803      10.536
+  50  137   87  224 Fr    x   21748.614      11.178      7670.3680     0.0499  B-   2922.7819    11.3237  224 023348.096      12.000
+  48  136   88  224 Ra        18825.832       1.811      7679.9236     0.0081  B-  -1408.3152     4.0869  224 020210.361       1.944
+  46  135   89  224 Ac   -a   20234.148       4.089      7670.1438     0.0183  B-    238.5672    10.3428  224 021722.249       4.389
+  44  134   90  224 Th   -a   19995.581       9.604      7667.7162     0.0429  B-  -3866.7705    12.1339  224 021466.137      10.310
+  42  133   91  224 Pa   -a   23862.351       7.587      7646.9612     0.0339  B-  -1880.3393    16.9711  224 025617.286       8.145
+  40  132   92  224 U    -a   25742.690      15.261      7635.0742     0.0681  B-  -6289.5572    32.7036  224 027635.913      16.383
+  38  131   93  224 Np        32032.248      28.925      7603.5032     0.1291  B-  -3248#       301#      224 034388.030      31.052
+  36  130   94  224 Pu    x   35280#        300#         7586#         1#      B-  -7980#       500#      224 037875#        322#
+  34  129   95  224 Am    x   43260#        400#         7546#         2#      B-      *                  224 046442#        429#
+0 57  141   84  225 Po    x   34580#        300#         7626#         1#      B-   4280#       424#      225 037123#        322#
+  55  140   85  225 At    x   30300#        300#         7641#         1#      B-   3765#       300#      225 032528#        322#
+  53  139   86  225 Rn        26534.143      11.140      7654.3581     0.0495  B-   2713.5412    16.3492  225 028485.572      11.958
+  51  138   87  225 Fr        23820.602      11.967      7662.9412     0.0532  B-   1827.5584    12.1574  225 025572.466      12.847
+  49  137   88  225 Ra        21993.044       2.596      7667.5866     0.0115  B-    355.7386     5.0067  225 023610.502       2.786
+  47  136   89  225 Ac        21637.305       4.758      7665.6906     0.0211  B-   -672.8878     6.6576  225 023228.601       5.107
+  45  135   90  225 Th   -a   22310.193       5.093      7659.2229     0.0226  B-  -2046.4473    82.0038  225 023950.975       5.467
+  43  134   91  225 Pa   -a   24356.640      81.867      7646.6504     0.3639  B-  -3015.3610    82.4514  225 026147.927      87.887
+  41  133   92  225 U    -a   27372.001       9.934      7629.7717     0.0442  B-  -4246.0969    92.1491  225 029385.050      10.664
+  39  132   93  225 Np   -a   31618.098      91.618      7607.4231     0.4072  B-  -4682#       314#      225 033943.422      98.355
+  37  131   94  225 Pu    x   36300#        300#         7583#         1#      B-  -6090#       500#      225 038970#        322#
+  35  130   95  225 Am    x   42390#        400#         7553#         2#      B-      *                  225 045508#        429#
+0 58  142   84  226 Po    x   37549#        401#         7614#         2#      B-   2889#       500#      226 040310#        430#
+  56  141   85  226 At    x   34660#        300#         7624#         1#      B-   5913#       300#      226 037209#        322#
+  54  140   86  226 Rn        28747.194      10.477      7646.4108     0.0464  B-   1226.6542    12.1895  226 030861.380      11.247
+  52  139   87  226 Fr        27520.539       6.230      7648.3768     0.0276  B-   3852.9638     6.5215  226 029544.512       6.688
+  50  138   88  226 Ra        23667.576       1.927      7661.9636     0.0085  B-   -641.6252     3.2730  226 025408.186       2.068
+  48  137   89  226 Ac        24309.201       3.100      7655.6628     0.0137  B-   1111.5517     4.5626  226 026096.999       3.327
+  46  136   90  226 Th        23197.649       4.481      7657.1195     0.0198  B-  -2835.9504    11.9702  226 024903.699       4.810
+  44  135   91  226 Pa   -a   26033.600      11.213      7641.1093     0.0496  B-  -1295.1978    15.6747  226 027948.217      12.037
+  42  134   92  226 U    -a   27328.797      11.071      7631.9166     0.0490  B-  -5488.0792   102.6485  226 029338.669      11.884
+  40  133   93  226 Np   -a   32816.877     102.063      7604.1714     0.4516  B-  -2813#       225#      226 035230.364     109.568
+  38  132   94  226 Pu    x   35630#        200#         7588#         1#      B-  -7340#       361#      226 038250#        215#
+  36  131   95  226 Am    x   42970#        300#         7552#         1#      B-      *                  226 046130#        322#
+0 59  143   84  227 Po    x   42281#        401#         7596#         2#      B-   4850#       500#      227 045390#        430#
+  57  142   85  227 At    x   37430#        300#         7613#         1#      B-   4544#       300#      227 040183#        322#
+  55  141   86  227 Rn        32885.835      14.091      7630.0508     0.0621  B-   3203.3894    15.2755  227 035304.393      15.127
+  53  140   87  227 Fr        29682.445       5.898      7640.7162     0.0260  B-   2504.9813     6.2112  227 031865.413       6.332
+  51  139   88  227 Ra   -n   27177.464       1.946      7648.3048     0.0086  B-   1327.9489     2.2622  227 029176.205       2.089
+  49  138   89  227 Ac        25849.515       1.926      7650.7084     0.0085  B-     44.7559     0.8297  227 027750.594       2.068
+  47  137   90  227 Th        25804.759       2.088      7647.4591     0.0092  B-  -1025.6117     7.2815  227 027702.546       2.241
+  45  136   91  227 Pa   -a   26830.371       7.263      7639.4945     0.0320  B-  -2214.6629    11.1118  227 028803.586       7.797
+  43  135   92  227 U    -a   29045.034       8.510      7626.2918     0.0375  B-  -3533.9848    77.4417  227 031181.124       9.136
+  41  134   93  227 Np   -a   32579.018      76.989      7607.2771     0.3392  B-  -4191#       126#      227 034975.012      82.651
+  39  133   94  227 Pu    x   36770#        100#         7585#         0#      B-  -5410#       224#      227 039474#        107#
+  37  132   95  227 Am    x   42180#        200#         7558#         1#      B-      *                  227 045282#        215#
+0 58  143   85  228 At    x   41880#        400#         7596#         2#      B-   6637#       400#      228 044960#        429#
+  56  142   86  228 Rn        35243.466      17.677      7621.6457     0.0775  B-   1859.2451    18.9157  228 037835.415      18.977
+  54  141   87  228 Fr        33384.221       6.732      7626.3689     0.0295  B-   4444.0270     7.0210  228 035839.433       7.226
+  52  140   88  228 Ra   +a   28940.194       1.995      7642.4289     0.0088  B-     45.5402     0.6344  228 031068.574       2.141
+  50  139   89  228 Ac    -   28894.654       2.093      7639.1973     0.0092  B-   2123.7545     2.6446  228 031019.685       2.247
+  48  138   90  228 Th        26770.899       1.806      7645.0807     0.0079  B-  -2152.6993     4.3399  228 028739.741       1.938
+  46  137   91  228 Pa   -a   28923.599       4.340      7632.2076     0.0190  B-   -296.4020    14.0858  228 031050.758       4.659
+  44  136   92  228 U    -a   29220.001      13.474      7627.4763     0.0591  B-  -4605#       101#      228 031368.959      14.465
+  42  135   93  228 Np   -a   33825#        100#         7604#         0#      B-  -2283#       103#      228 036313#        108#
+  40  134   94  228 Pu   -a   36107.809      23.352      7590.4039     0.1024  B-  -6742#       202#      228 038763.325      25.069
+  38  133   95  228 Am    x   42850#        200#         7557#         1#      B-      *                  228 046001#        215#
+0 59  144   85  229 At    x   44890#        400#         7585#         2#      B-   5527#       400#      229 048191#        429#
+  57  143   86  229 Rn    x   39362.400      13.041      7605.6227     0.0569  B-   3694.1465    13.9670  229 042257.272      14.000
+  55  142   87  229 Fr        35668.253       5.001      7618.3380     0.0218  B-   3106.2907    16.2305  229 038291.443       5.368
+  53  141   88  229 Ra    x   32561.963      15.441      7628.4862     0.0674  B-   1872.0266    19.6229  229 034956.703      16.576
+  51  140   89  229 Ac    x   30689.936      12.109      7633.2446     0.0529  B-   1104.4191    12.3458  229 032947.000      13.000
+  49  139   90  229 Th        29585.517       2.404      7634.6510     0.0105  B-   -311.3310     3.7152  229 031761.357       2.581
+  47  138   91  229 Pa        29896.848       3.280      7629.8752     0.0143  B-  -1313.7716     6.6554  229 032095.585       3.521
+  45  137   92  229 U    -a   31210.620       5.938      7620.7218     0.0259  B-  -2590.7577   101.3342  229 033505.976       6.374
+  43  136   93  229 Np   -a   33801.378     101.177      7605.9921     0.4418  B-  -3593.5462   117.9433  229 036287.269     108.618
+  41  135   94  229 Pu   -a   37394.924      60.633      7586.8834     0.2648  B-  -4785.4899   122.4147  229 040145.099      65.092
+  39  134   95  229 Am   -a   42180.414     106.348      7562.5697     0.4644  B-      *                  229 045282.534     114.169
+0 58  144   86  230 Rn    x   42170#        200#         7595#         1#      B-   2683#       200#      230 045271#        215#
+  56  143   87  230 Fr        39486.769       6.541      7603.7052     0.0284  B-   4970.4627    12.1984  230 042390.787       7.022
+  54  142   88  230 Ra    x   34516.306      10.296      7621.9144     0.0448  B-    677.9196    18.8884  230 037054.776      11.053
+  52  141   89  230 Ac    x   33838.386      15.835      7621.4604     0.0689  B-   2975.8745    15.8815  230 036327.000      17.000
+  50  140   90  230 Th        30862.512       1.209      7630.9974     0.0053  B-  -1311.0313     2.8334  230 033132.267       1.297
+  48  139   91  230 Pa        32173.543       3.038      7621.8958     0.0132  B-    558.5262     4.5919  230 034539.717       3.261
+  46  138   92  230 U    -a   31615.017       4.509      7620.9227     0.0196  B-  -3621.5986    55.1683  230 033940.114       4.841
+  44  137   93  230 Np   -a   35236.615      55.007      7601.7751     0.2392  B-  -1695.5543    56.8505  230 037828.060      59.051
+  42  136   94  230 Pu   -a   36932.170      14.451      7591.0016     0.0628  B-  -5940#       144#      230 039648.313      15.514
+  40  135   95  230 Am   -a   42872#        143#         7562#         1#      B-      *                  230 046025#        153#
+0 59  145   86  231 Rn    x   46550#        300#         7579#         1#      B-   4469#       300#      231 049973#        322#
+  57  144   87  231 Fr    x   42080.575       7.731      7594.5009     0.0335  B-   3864.0868    13.7495  231 045175.353       8.300
+  55  143   88  231 Ra        38216.488      11.370      7607.8418     0.0492  B-   2453.6351    17.3014  231 041027.085      12.206
+  53  142   89  231 Ac    x   35762.853      13.041      7615.0768     0.0565  B-   1947.0425    13.0976  231 038393.000      14.000
+  51  141   90  231 Th        33815.811       1.217      7620.1188     0.0053  B-    391.4727     1.4598  231 036302.764       1.306
+  49  140   91  231 Pa        33424.338       1.771      7618.4267     0.0077  B-   -381.6138     2.0325  231 035882.500       1.901
+  47  139   92  231 U    -a   33805.952       2.670      7613.3879     0.0116  B-  -1817.7347    51.1839  231 036292.180       2.866
+  45  138   93  231 Np   -a   35623.686      51.154      7602.1321     0.2214  B-  -2684.8905    55.6931  231 038243.598      54.916
+  43  137   94  231 Pu   -a   38308.577      22.061      7587.1224     0.0955  B-  -4101#       301#      231 041125.946      23.683
+  41  136   95  231 Am    x   42410#        300#         7566#         1#      B-  -4860#       424#      231 045529#        322#
+  39  135   96  231 Cm    x   47270#        300#         7542#         1#      B-      *                  231 050746#        322#
+0 58  145   87  232 Fr    x   46072.834      13.972      7579.3481     0.0602  B-   5575.8791    16.7023  232 049461.219      15.000
+  56  144   88  232 Ra        40496.955       9.151      7600.0099     0.0394  B-   1342.5322    15.9313  232 043475.267       9.823
+  54  143   89  232 Ac    x   39154.423      13.041      7602.4245     0.0562  B-   3707.7131    13.1181  232 042034.000      14.000
+  52  142   90  232 Th        35446.710       1.421      7615.0338     0.0061  B-   -499.8388     7.7338  232 038053.606       1.525
+  50  141   91  232 Pa    +   35946.549       7.645      7609.5072     0.0330  B-   1337.1034     7.4278  232 038590.205       8.206
+  48  140   92  232 U         34609.445       1.808      7611.8984     0.0078  B-  -2750#       100#      232 037154.765       1.941
+  46  139   93  232 Np    -   37359#        100#         7597#         0#      B-  -1001#       101#      232 040107#        107#
+  44  138   94  232 Pu   -a   38360.915      16.885      7588.9839     0.0728  B-  -5059#       300#      232 041182.133      18.126
+  42  137   95  232 Am    x   43420#        300#         7564#         1#      B-  -2913#       361#      232 046613#        322#
+  40  136   96  232 Cm   -a   46333#        201#         7548#         1#      B-      *                  232 049740#        216#
+0 59  146   87  233 Fr    x   48920.052      19.561      7569.2398     0.0840  B-   4585.9906    21.3694  233 052517.833      21.000
+  57  145   88  233 Ra        44334.062       8.603      7585.5644     0.0369  B-   3026.0244    15.6228  233 047594.570       9.235
+  55  144   89  233 Ac    x   41308.037      13.041      7595.1939     0.0560  B-   2576.3950    13.1184  233 044346.000      14.000
+  53  143   90  233 Th        38731.642       1.424      7602.8937     0.0061  B-   1242.2320     1.1224  233 041580.126       1.528
+  51  142   91  233 Pa        37489.410       1.336      7604.8675     0.0057  B-    570.2993     1.9750  233 040246.535       1.433
+  49  141   92  233 U         36919.111       2.254      7603.9574     0.0097  B-  -1029.4197    51.0050  233 039634.294       2.420
+  47  140   93  233 Np   -a   37948.531      50.981      7596.1816     0.2188  B-  -2103.3047    74.3811  233 040739.421      54.729
+  45  139   94  233 Pu   -a   40051.836      54.178      7583.7968     0.2325  B-  -3233#       126#      233 042997.411      58.162
+  43  138   95  233 Am   -a   43285#        114#         7567#         0#      B-  -4008#       140#      233 046468#        123#
+  41  137   96  233 Cm   -a   47293.340      81.095      7546.0020     0.3480  B-  -5478#       247#      233 050771.485      87.059
+  39  136   97  233 Bk   -a   52771#        233#         7519#         1#      B-      *                  233 056652#        250#
+0 58  146   88  234 Ra    x   46930.629       8.383      7576.5439     0.0358  B-   2089.4348    16.2945  234 050382.100       9.000
+  56  145   89  234 Ac    x   44841.195      13.972      7582.1297     0.0597  B-   4228.2364    14.2103  234 048139.000      15.000
+  54  144   90  234 Th   +a   40612.958       2.589      7596.8557     0.0111  B-    274.0882     3.1716  234 043599.801       2.779
+  52  143   91  234 Pa   IT   40338.870       4.094      7594.6837     0.0175  B-   2193.9105     3.9998  234 043305.555       4.395
+  50  142   92  234 U         38144.959       1.129      7600.7160     0.0048  B-  -1809.8462     8.3205  234 040950.296       1.212
+  48  141   93  234 Np    -   39954.806       8.397      7589.6382     0.0359  B-   -395.1807    10.7522  234 042893.245       9.014
+  46  140   94  234 Pu   -a   40349.986       6.798      7584.6061     0.0291  B-  -4112#       160#      234 043317.489       7.298
+  44  139   95  234 Am   -a   44462#        160#         7564#         1#      B-  -2261#       161#      234 047731#        172#
+  42  138   96  234 Cm   -a   46722.411      17.078      7550.6868     0.0730  B-  -6673#       154#      234 050158.568      18.333
+  40  137   97  234 Bk   -a   53395#        153#         7519#         1#      B-      *                  234 057322#        164#
+0 59  147   88  235 Ra    x   51130#        300#         7561#         1#      B-   3773#       300#      235 054890#        322#
+  57  146   89  235 Ac    x   47357.160      13.972      7573.5051     0.0595  B-   3339.4064    19.1127  235 050840.000      15.000
+  55  145   90  235 Th    x   44017.754      13.041      7584.3862     0.0555  B-   1728.8531    19.1127  235 047255.000      14.000
+  53  144   91  235 Pa    x   42288.901      13.972      7588.4139     0.0595  B-   1370.1184    14.0169  235 045399.000      15.000
+  51  143   92  235 U         40918.782       1.116      7590.9151     0.0048  B-   -124.2619     0.8524  235 043928.117       1.198
+  49  142   93  235 Np        41043.044       1.388      7587.0571     0.0059  B-  -1139.3021    20.4992  235 044061.518       1.490
+  47  141   94  235 Pu   -a   42182.346      20.521      7578.8799     0.0873  B-  -2442.2558    56.5932  235 045284.609      22.030
+  45  140   95  235 Am   -a   44624.602      52.780      7565.1582     0.2246  B-  -3389#       115#      235 047906.478      56.661
+  43  139   96  235 Cm   -a   48013#        102#         7547#         0#      B-  -4757#       413#      235 051545#        110#
+  41  138   97  235 Bk    x   52770#        401#         7524#         2#      B-      *                  235 056651#        430#
+0 58  147   89  236 Ac    x   51220.998      38.191      7559.2423     0.1618  B-   4965.7951    40.6669  236 054988.000      41.000
+  56  146   90  236 Th    x   46255.203      13.972      7576.9688     0.0592  B-    921.2477    19.7600  236 049657.000      15.000
+  54  145   91  236 Pa    x   45333.955      13.972      7577.5573     0.0592  B-   2889.3730    14.0166  236 048668.000      15.000
+  52  144   92  236 U         42444.582       1.112      7586.4854     0.0047  B-   -933.5116    50.4152  236 045566.130       1.193
+  50  143   93  236 Np   IT   43378.094      50.421      7579.2148     0.2136  B-    476.5854    50.3887  236 046568.296      54.129
+  48  142   94  236 Pu        42901.508       1.810      7577.9192     0.0077  B-  -3139#       119#      236 046056.661       1.942
+  46  141   95  236 Am   -a   46041#        119#         7561#         1#      B-  -1812#       120#      236 049427#        127#
+  44  140   96  236 Cm   -a   47852.820      17.635      7550.3090     0.0747  B-  -5689#       361#      236 051372.112      18.931
+  42  139   97  236 Bk   -a   53542#        361#         7523#         2#      B-      *                  236 057479#        387#
+0 59  148   89  237 Ac    x   54020#        400#         7550#         2#      B-   4065#       400#      237 057993#        429#
+  57  147   90  237 Th    x   49955.097      15.835      7563.4433     0.0668  B-   2427.4736    20.5140  237 053629.000      17.000
+  55  146   91  237 Pa    x   47527.624      13.041      7570.3847     0.0550  B-   2137.4905    13.0962  237 051023.000      14.000
+  53  145   92  237 U         45390.133       1.202      7576.1026     0.0051  B-    518.5338     0.5200  237 048728.309       1.290
+  51  144   93  237 Np        44871.599       1.120      7574.9895     0.0047  B-   -220.0630     1.2944  237 048171.640       1.201
+  49  143   94  237 Pu        45091.662       1.697      7570.7599     0.0072  B-  -1478#        59#      237 048407.888       1.821
+  47  142   95  237 Am   -a   46570#         59#         7561#         0#      B-  -2677#        95#      237 049995#         64#
+  45  141   96  237 Cm   -a   49247.151      74.399      7546.6241     0.3139  B-  -3963#       242#      237 052868.988      79.870
+  43  140   97  237 Bk   -a   53210#        230#         7527#         1#      B-  -4728#       250#      237 057123#        247#
+  41  139   98  237 Cf   -a   57938.255      97.347      7503.3507     0.4107  B-      *                  237 062199.272     104.506
+0 58  148   90  238 Th   +a   52525#        283#         7555#         1#      B-   1631#       284#      238 056388#        304#
+  56  147   91  238 Pa    x   50894.043      15.835      7558.3449     0.0665  B-   3586.3111    15.9056  238 054637.000      17.000
+  54  146   92  238 U         47307.732       1.492      7570.1262     0.0063  B-   -146.8652     1.2006  238 050786.936       1.601
+  52  145   93  238 Np   -n   47454.597       1.137      7566.2220     0.0048  B-   1291.4491     0.4573  238 050944.603       1.220
+  50  144   94  238 Pu        46163.148       1.138      7568.3611     0.0048  B-  -2258.2731    58.9005  238 049558.175       1.221
+  48  143   95  238 Am   -a   48421.421      58.911      7555.5853     0.2475  B-  -1023.7818    60.1587  238 051982.531      63.243
+  46  142   96  238 Cm   -a   49445.203      12.234      7547.9966     0.0514  B-  -4771#       256#      238 053081.606      13.133
+  44  141   97  238 Bk   -a   54216#        256#         7525#         1#      B-  -3061#       393#      238 058204#        275#
+  42  140   98  238 Cf    x   57278#        298#         7509#         1#      B-      *                  238 061490#        320#
+0 59  149   90  239 Th    x   56500#        400#         7540#         2#      B-   3162#       445#      239 060655#        429#
+  57  148   91  239 Pa    x   53337#        196#         7550#         1#      B-   2765#       196#      239 057260#        210#
+  55  147   92  239 U    -n   50572.668       1.502      7558.5624     0.0063  B-   1261.6634     1.4935  239 054291.989       1.612
+  53  146   93  239 Np        49311.005       1.310      7560.5680     0.0055  B-    722.7849     0.9304  239 052937.538       1.406
+  51  145   94  239 Pu        48588.220       1.112      7560.3187     0.0047  B-   -802.1402     1.6635  239 052161.596       1.194
+  49  144   95  239 Am   -a   49390.360       1.982      7553.6891     0.0083  B-  -1756.6021   150.0740  239 053022.729       2.127
+  47  143   96  239 Cm   -a   51146.962     150.070      7543.0659     0.6279  B-  -3103#       256#      239 054908.519     161.107
+  45  142   97  239 Bk   -a   54250#        207#         7527#         1#      B-  -3952#       239#      239 058239#        222#
+  43  141   98  239 Cf   -a   58202#        120#         7507#         1#      B-  -5429#       323#      239 062482#        129#
+  41  140   99  239 Es    x   63630#        300#         7481#         1#      B-      *                  239 068310#        322#
+0 58  149   91  240 Pa    x   57010#        200#         7537#         1#      B-   4295#       200#      240 061203#        215#
+  56  148   92  240 U         52715.497       2.553      7551.7705     0.0106  B-    399.2685    17.0830  240 056592.411       2.740
+  54  147   93  240 Np        52316.229      17.032      7550.1743     0.0710  B-   2190.9095    17.0151  240 056163.778      18.284
+  52  146   94  240 Pu        50125.319       1.105      7556.0433     0.0046  B-  -1384.7902    13.7882  240 053811.740       1.186
+  50  145   95  240 Am   +n   51510.110      13.832      7547.0136     0.0576  B-   -214.1127    13.8967  240 055298.374      14.849
+  48  144   96  240 Cm        51724.222       1.905      7542.8617     0.0079  B-  -3940#       150#      240 055528.233       2.045
+  46  143   97  240 Bk    -   55664#        150#         7523#         1#      B-  -2324#       151#      240 059758#        161#
+  44  142   98  240 Cf   -a   57988.719      18.034      7510.2400     0.0751  B-  -6237#       366#      240 062253.447      19.360
+  42  141   99  240 Es   -a   64225#        366#         7481#         2#      B-      *                  240 068949#        393#
+0 59  150   91  241 Pa    x   59740#        300#         7528#         1#      B-   3543#       358#      241 064134#        322#
+  57  149   92  241 U     x   56197#        196#         7539#         1#      B-   1882#       220#      241 060330#        210#
+  55  148   93  241 Np    +   54315.115     100.006      7544.0426     0.4150  B-   1360.0000   100.0000  241 058309.671     107.360
+  53  147   94  241 Pu        52955.115       1.105      7546.4395     0.0046  B-     20.7799     0.1658  241 056849.651       1.186
+  51  146   95  241 Am        52934.335       1.113      7543.2795     0.0046  B-   -767.4346     1.1685  241 056827.343       1.195
+  49  145   96  241 Cm        53701.770       1.607      7536.8488     0.0067  B-  -2279#       165#      241 057651.218       1.725
+  47  144   97  241 Bk   +a   55981#        165#         7524#         1#      B-  -3346#       235#      241 060098#        178#
+  45  143   98  241 Cf   -a   59327#        167#         7507#         1#      B-  -4567#       285#      241 063690#        180#
+  43  142   99  241 Es   -a   63893#        231#         7485#         1#      B-  -5327#       379#      241 068592#        248#
+  41  141  100  241 Fm    x   69220#        300#         7459#         1#      B-      *                  241 074311#        322#
+0 58  150   92  242 U    +a   58620#        201#         7532#         1#      B-   1203#       283#      242 062931#        215#
+  56  149   93  242 Np    +   57416.876     200.004      7533.4042     0.8265  B-   2700.0000   200.0000  242 061639.548     214.712
+  54  148   94  242 Pu        54716.876       1.245      7541.3284     0.0052  B-   -751.1373     0.7080  242 058740.979       1.336
+  52  147   95  242 Am   -n   55468.014       1.118      7534.9917     0.0046  B-    664.3145     0.4143  242 059547.358       1.199
+  50  146   96  242 Cm        54803.699       1.141      7534.5040     0.0047  B-  -2948#       135#      242 058834.187       1.224
+  48  145   97  242 Bk   IT   57752#        135#         7519#         1#      B-  -1635#       135#      242 061999#        144#
+  46  144   98  242 Cf   -a   59386.982      12.892      7509.0991     0.0533  B-  -5414#       257#      242 063754.544      13.840
+  44  143   99  242 Es   -a   64801#        257#         7483#         1#      B-  -3598#       476#      242 069567#        276#
+  42  142  100  242 Fm    x   68400#        401#         7465#         2#      B-      *                  242 073430#        430#
+0 59  151   92  243 U     x   62480#        300#         7518#         1#      B-   2674#       302#      243 067075#        322#
+  57  150   93  243 Np   IT   59806#         32#         7526#         0#      B-   2051#        32#      243 064204#         34#
+  55  149   94  243 Pu        57754.561       2.542      7531.0087     0.0105  B-    579.5559     2.6216  243 062002.068       2.728
+  53  148   95  243 Am        57175.005       1.388      7530.1742     0.0057  B-     -6.9302     1.5692  243 061379.889       1.490
+  51  147   96  243 Cm   -a   57181.936       1.496      7526.9261     0.0062  B-  -1507.6936     4.5065  243 061387.329       1.605
+  49  146   97  243 Bk   -a   58689.629       4.524      7517.5021     0.0186  B-  -2300#       181#      243 063005.905       4.856
+  47  145   98  243 Cf   -a   60990#        181#         7505#         1#      B-  -3757#       275#      243 065475#        194#
+  45  144   99  243 Es   -a   64747#        207#         7486#         1#      B-  -4569#       245#      243 069508#        222#
+  43  143  100  243 Fm   -a   69316#        130#         7464#         1#      B-      *                  243 074414#        140#
+0 58  151   93  244 Np    x   63240#        100#         7514#         0#      B-   3434#       100#      244 067891#        107#
+  56  150   94  244 Pu        59806.021       2.346      7524.8154     0.0096  B-    -73.1143     2.6856  244 064204.401       2.518
+  54  149   95  244 Am    +   59879.135       1.491      7521.3095     0.0061  B-   1427.3000     1.0000  244 064282.892       1.600
+  52  148   96  244 Cm   -a   58451.835       1.106      7523.9527     0.0045  B-  -2261.9902    14.3567  244 062750.622       1.187
+  50  147   97  244 Bk   -a   60713.825      14.399      7511.4759     0.0590  B-   -764.2709    14.5724  244 065178.969      15.457
+  48  146   98  244 Cf        61478.096       2.617      7505.1373     0.0107  B-  -4547#       181#      244 065999.447       2.809
+  46  145   99  244 Es   -a   66026#        181#         7483#         1#      B-  -2938#       271#      244 070881#        195#
+  44  144  100  244 Fm   -a   68964#        201#         7468#         1#      B-  -6634#       425#      244 074036#        216#
+  42  143  101  244 Md   -a   75597#        374#         7438#         2#      B-      *                  244 081157#        402#
+0 59  152   93  245 Np    x   65850#        200#         7506#         1#      B-   2672#       201#      245 070693#        215#
+  57  151   94  245 Pu   -n   63178.173      13.620      7513.2822     0.0556  B-   1277.7559    13.7334  245 067824.554      14.621
+  55  150   95  245 Am   +a   61900.417       1.886      7515.3043     0.0077  B-    895.8929     1.5491  245 066452.827       2.024
+  53  149   96  245 Cm        61004.524       1.149      7515.7677     0.0047  B-   -809.2519     1.4964  245 065491.047       1.233
+  51  148   97  245 Bk   -a   61813.776       1.792      7509.2714     0.0073  B-  -1571.3755     2.5861  245 066359.814       1.923
+  49  147   98  245 Cf        63385.151       2.428      7499.6644     0.0099  B-  -2930#       165#      245 068046.755       2.606
+  47  146   99  245 Es   IT   66315#        165#         7485#         1#      B-  -3877#       256#      245 071192#        178#
+  45  145  100  245 Fm   -a   70192#        195#         7465#         1#      B-  -5133#       325#      245 075354#        210#
+  43  144  101  245 Md   -a   75325#        260#         7441#         1#      B-      *                  245 080864#        279#
+0 58  152   94  246 Pu        65394.772      14.985      7506.5401     0.0609  B-    401#        14#      246 070204.172      16.087
+  56  151   95  246 Am   IT   64994#         18#         7505#         0#      B-   2377#        18#      246 069774#         19#
+  54  150   96  246 Cm        62616.912       1.525      7511.4716     0.0062  B-  -1350.0000    60.0000  246 067222.016       1.637
+  52  149   97  246 Bk    -   63966.912      60.019      7502.8035     0.2440  B-   -123.3159    60.0198  246 068671.300      64.433
+  50  148   98  246 Cf        64090.228       1.514      7499.1220     0.0062  B-  -3728.5741    89.9373  246 068803.685       1.625
+  48  147   99  246 Es        67818.802      89.925      7480.7849     0.3655  B-  -2372.3848    90.9577  246 072806.474      96.538
+  46  146  100  246 Fm   -a   70191.187      13.670      7467.9608     0.0556  B-  -5924#       260#      246 075353.334      14.675
+  44  145  101  246 Md   -a   76115#        260#         7441#         1#      B-      *                  246 081713#        279#
+0 59  153   94  247 Pu    x   69210#        200#         7493#         1#      B-   2057#       224#      247 074300#        215#
+  57  152   95  247 Am    +   67153#        100#         7499#         0#      B-   1620#       100#      247 072092#        107#
+  55  151   96  247 Cm        65533.105       3.797      7501.9318     0.0154  B-     43.5841     6.3245  247 070352.678       4.076
+  53  150   97  247 Bk   -a   65489.521       5.189      7498.9408     0.0210  B-   -619.8711    15.2376  247 070305.889       5.570
+  51  149   98  247 Cf   +a   66109.392      14.327      7493.2638     0.0580  B-  -2469.0006    24.1495  247 070971.348      15.380
+  49  148   99  247 Es   +a   68578.393      19.441      7480.1005     0.0787  B-  -3094#       182#      247 073621.929      20.870
+  47  147  100  247 Fm   +a   71672#        181#         7464#         1#      B-  -4263#       275#      247 076944#        194#
+  45  146  101  247 Md   -a   75936#        207#         7444#         1#      B-      *                  247 081520#        223#
+0 58  153   95  248 Am    +   70563#        200#         7487#         1#      B-   3170#       200#      248 075752#        215#
+  56  152   96  248 Cm        67392.748       2.358      7496.7291     0.0095  B-   -738.3049    50.0026  248 072349.086       2.531
+  54  151   97  248 Bk   +a   68131.053      50.058      7490.5975     0.2018  B-    893.1015    50.3143  248 073141.689      53.739
+  52  150   98  248 Cf   -a   67237.951       5.121      7491.0440     0.0207  B-  -3061#        53#      248 072182.905       5.497
+  50  149   99  248 Es   -a   70299#         52#         7476#         0#      B-  -1599#        53#      248 075469#         56#
+  48  148  100  248 Fm        71897.793       8.497      7465.9451     0.0343  B-  -5050#       184#      248 077185.451       9.122
+  46  147  101  248 Md   -a   76948#        184#         7442#         1#      B-  -3741#       290#      248 082607#        198#
+  44  146  102  248 No   -a   80689#        224#         7424#         1#      B-      *                  248 086623#        241#
+0 59  154   95  249 Am    x   73104#        298#         7479#         1#      B-   2353#       298#      249 078480#        320#
+  57  153   96  249 Cm   -n   70750.696       2.371      7485.5510     0.0095  B-    904.3630     2.5934  249 075953.992       2.545
+  55  152   97  249 Bk    +   69846.333       1.248      7486.0410     0.0050  B-    123.6000     0.4000  249 074983.118       1.339
+  53  151   98  249 Cf        69722.733       1.182      7483.3954     0.0048  B-  -1452#        30#      249 074850.428       1.269
+  51  150   99  249 Es   -a   71175#         30#         7474#         0#      B-  -2344#        31#      249 076409#         32#
+  49  149  100  249 Fm        73519.143       6.212      7461.8649     0.0249  B-  -3661.8091   164.5418  249 078926.042       6.668
+  47  148  101  249 Md        77180.952     164.425      7444.0169     0.6603  B-  -4606#       324#      249 082857.155     176.516
+  45  147  102  249 No   -a   81787#        279#         7422#         1#      B-      *                  249 087802#        300#
+0 58  154   96  250 Cm  -nn   72989.588      10.274      7478.9385     0.0411  B-     37.5820    10.6414  250 078357.541      11.029
+  56  153   97  250 Bk   +a   72952.006       2.898      7475.9594     0.0116  B-   1781.6696     2.4561  250 078317.195       3.110
+  54  152   98  250 Cf   -a   71170.336       1.538      7479.9567     0.0062  B-  -2055#       100#      250 076404.494       1.650
+  52  151   99  250 Es    -   73225#        100#         7469#         0#      B-   -847#       100#      250 078611#        107#
+  50  150  100  250 Fm        74072.193       7.888      7462.0905     0.0316  B-  -4326.9476    91.2615  250 079519.765       8.468
+  48  149  101  250 Md        78399.140      90.920      7441.6533     0.3637  B-  -3167#       220#      250 084164.934      97.606
+  46  148  102  250 No   -a   81566#        200#         7426#         1#      B-      *                  250 087565#        215#
+0 59  155   96  251 Cm    +   76647.981      22.698      7466.7233     0.0904  B-   1420.0000    20.0000  251 082284.988      24.367
+  57  154   97  251 Bk    +   75227.981      10.734      7469.2637     0.0428  B-   1093.0000    10.0000  251 080760.555      11.523
+  55  153   98  251 Cf   -a   74134.981       3.901      7470.5014     0.0155  B-   -376.5660     6.4677  251 079587.171       4.187
+  53  152   99  251 Es   -a   74511.547       5.288      7465.8842     0.0211  B-  -1447.2610    15.2387  251 079991.431       5.676
+  51  151  100  251 Fm        75958.808      14.292      7457.0013     0.0569  B-  -3007.9406    23.7108  251 081545.130      15.342
+  49  150  101  251 Md   +a   78966.749      18.919      7441.9005     0.0754  B-  -3882#       182#      251 084774.287      20.310
+  47  149  102  251 No   IT   82849#        181#         7423#         1#      B-  -4981#       270#      251 088942#        194#
+  45  148  103  251 Lr    x   87830#        200#         7400#         1#      B-      *                  251 094289#        215#
+0 60  156   96  252 Cm    x   79056#        298#         7460#         1#      B-    521#       359#      252 084870#        320#
+  58  155   97  252 Bk    +   78535#        200#         7459#         1#      B-   2500#       200#      252 084310#        215#
+  56  154   98  252 Cf   -a   76034.610       2.358      7465.3474     0.0094  B-  -1260.0000    50.0000  252 081626.507       2.531
+  54  153   99  252 Es    -   77294.610      50.056      7457.2428     0.1986  B-    477.9998    50.3220  252 082979.173      53.736
+  52  152  100  252 Fm   -a   76816.611       5.221      7456.0351     0.0207  B-  -3650.5075    91.4356  252 082466.019       5.604
+  50  151  101  252 Md    x   80467.118      91.286      7438.4444     0.3622  B-  -2404.2523    91.7581  252 086385.000      98.000
+  48  150  102  252 No        82871.370       9.292      7425.7992     0.0369  B-  -5666#       185#      252 088966.070       9.975
+  46  149  103  252 Lr   -a   88537#        185#         7400#         1#      B-      *                  252 095048#        198#
+0 59  156   97  253 Bk   -a   80929#        359#         7451#         1#      B-   1627#       359#      253 086880#        385#
+  57  155   98  253 Cf   -a   79301.562       4.257      7454.8297     0.0168  B-    291.0753     4.3850  253 085133.723       4.570
+  55  154   99  253 Es   -a   79010.486       1.249      7452.8879     0.0049  B-   -335.0623     1.0782  253 084821.241       1.341
+  53  153  100  253 Fm   -a   79345.549       1.549      7448.4712     0.0061  B-  -1827#        31#      253 085180.945       1.662
+  51  152  101  253 Md   -a   81173#         31#         7438#         0#      B-  -3186#        32#      253 087143#         34#
+  49  151  102  253 No        84358.696       6.912      7422.4719     0.0273  B-  -4164.7752   164.6791  253 090562.780       7.420
+  47  150  103  253 Lr        88523.471     164.534      7402.9180     0.6503  B-  -5118#       442#      253 095033.850     176.634
+  45  149  104  253 Rf   -a   93642#        410#         7380#         2#      B-      *                  253 100528#        440#
+0 60  157   97  254 Bk    x   84393#        298#         7440#         1#      B-   3052#       298#      254 090600#        320#
+  58  156   98  254 Cf   -a   81341.395      11.462      7449.2259     0.0451  B-   -652.7561    11.8014  254 087323.575      12.304
+  56  155   99  254 Es   -a   81994.151       2.936      7443.5759     0.0116  B-   1091.6300     2.2858  254 088024.337       3.152
+  54  154  100  254 Fm   -a   80902.521       1.843      7444.7936     0.0073  B-  -2550#       100#      254 086852.424       1.978
+  52  153  101  254 Md    -   83453#        100#         7432#         0#      B-  -1271#       100#      254 089590#        107#
+  50  152  102  254 No        84723.312       9.658      7423.5909     0.0380  B-  -4922.5753    91.8208  254 090954.211      10.367
+  48  151  103  254 Lr   -a   89645.887      91.312      7401.1306     0.3595  B-  -3555#       298#      254 096238.813      98.026
+  46  150  104  254 Rf   -a   93201#        283#         7384#         1#      B-      *                  254 100055#        304#
+0 59  157   98  255 Cf    +   84809#        200#         7438#         1#      B-    720#       200#      255 091046#        215#
+  57  156   99  255 Es   -a   84089.237      10.817      7437.8216     0.0424  B-    288.7717    10.1024  255 090273.504      11.612
+  55  155  100  255 Fm   -a   83800.465       3.934      7435.8860     0.0154  B-  -1041.6037     6.7172  255 089963.495       4.223
+  53  154  101  255 Md   -a   84842.069       5.567      7428.7333     0.0218  B-  -1969.8648    15.1096  255 091081.702       5.976
+  51  153  102  255 No        86811.934      14.047      7417.9403     0.0551  B-  -3135.3716    22.5952  255 093196.439      15.079
+  49  152  103  255 Lr    x   89947.305      17.698      7402.5767     0.0694  B-  -4382#       182#      255 096562.399      19.000
+  47  151  104  255 Rf   -a   94329#        181#         7382#         1#      B-  -5265#       336#      255 101267#        194#
+  45  150  105  255 Db   -a   99595#        283#         7359#         1#      B-      *                  255 106919#        304#
+0 60  158   98  256 Cf   -a   87041#        314#         7432#         1#      B-   -144#       330#      256 093442#        338#
+  58  157   99  256 Es    +   87185#        100#         7428#         0#      B-   1700#       100#      256 093597#        107#
+  56  156  100  256 Fm   -a   85484.796       3.020      7431.7888     0.0118  B-  -1971#       124#      256 091771.699       3.241
+  54  155  101  256 Md   IT   87456#        124#         7421#         0#      B-   -367#       124#      256 093888#        133#
+  52  154  102  256 No   -a   87823.046       7.548      7416.5429     0.0295  B-  -3923.5573    83.2459  256 094281.912       8.103
+  50  153  103  256 Lr    x   91746.603      82.903      7398.1605     0.3238  B-  -2475.3893    84.8025  256 098494.024      89.000
+  48  152  104  256 Rf   -a   94221.992      17.848      7385.4349     0.0697  B-  -6076#       188#      256 101151.464      19.160
+  46  151  105  256 Db   -a  100298#        187#         7359#         1#      B-      *                  256 107674#        201#
+0 59  158   99  257 Es   -a   89403#        411#         7422#         2#      B-    813#       411#      257 095979#        441#
+  57  157  100  257 Fm   -a   88590.137       4.350      7422.1942     0.0169  B-   -402.3347     4.5748  257 095105.419       4.669
+  55  156  101  257 Md   -a   88992.472       1.569      7417.5845     0.0061  B-  -1254.5923     6.1695  257 095537.343       1.683
+  53  155  102  257 No   -a   90247.064       6.197      7409.6587     0.0241  B-  -2418#        45#      257 096884.203       6.652
+  51  154  103  257 Lr   -a   92665#         44#         7397#         0#      B-  -3201#        45#      257 099480#         47#
+  49  153  104  257 Rf   -a   95866.389      10.817      7381.7053     0.0421  B-  -4287.8969   164.9888  257 102916.796      11.612
+  47  152  105  257 Db       100154.285     164.634      7361.9767     0.6406  B-      *                  257 107520.042     176.741
+0 60  159   99  258 Es    x   92702#        401#         7412#         2#      B-   2276#       448#      258 099520#        430#
+  58  158  100  258 Fm   -a   90426#        200#         7418#         1#      B-  -1264#       200#      258 097077#        215#
+  56  157  101  258 Md   -a   91690.350       3.474      7409.6615     0.0135  B-    213#       100#      258 098433.634       3.729
+  54  156  102  258 No   -a   91477#        100#         7407#         0#      B-  -3304#       143#      258 098205#        107#
+  52  155  103  258 Lr   -a   94782#        102#         7392#         0#      B-  -1562#       103#      258 101753#        109#
+  50  154  104  258 Rf   -a   96344.338      16.104      7382.5257     0.0624  B-  -5163.3651    93.2584  258 103429.895      17.288
+  48  153  105  258 Db   -a  101507.703      91.857      7359.4803     0.3560  B-  -3788#       423#      258 108972.995      98.613
+  46  152  106  258 Sg   -a  105296#        413#         7342#         2#      B-      *                  258 113040#        443#
+0 59  159  100  259 Fm   -a   93704#        283#         7407#         1#      B-    140#       300#      259 100596#        304#
+  57  158  101  259 Md   -a   93564#        101#         7405#         0#      B-   -515#       101#      259 100445#        108#
+  55  157  102  259 No   -a   94079.381       6.362      7399.9714     0.0246  B-  -1771#        71#      259 100998.364       6.829
+  53  156  103  259 Lr   -a   95851#         71#         7390#         0#      B-  -2516#       101#      259 102900#         76#
+  51  155  104  259 Rf   -a   98367#         72#         7377#         0#      B-  -3624#        92#      259 105601#         78#
+  49  154  105  259 Db   -a  101991.021      56.685      7360.3626     0.2189  B-  -4528#       190#      259 109491.859      60.854
+  47  153  106  259 Sg   -a  106519#        181#         7340#         1#      B-      *                  259 114353#        194#
+0 60  160  100  260 Fm   -a   95766#        435#         7402#         2#      B-   -784#       537#      260 102809#        467#
+  58  159  101  260 Md   -a   96550#        316#         7396#         1#      B-    940#       374#      260 103650#        339#
+  56  158  102  260 No   -a   95610#        200#         7397#         1#      B-  -2667#       236#      260 102641#        215#
+  54  157  103  260 Lr   -a   98277#        125#         7383#         0#      B-   -871#       236#      260 105504#        134#
+  52  156  104  260 Rf   -a   99148#        200#         7377#         1#      B-  -4525#       221#      260 106440#        215#
+  50  155  105  260 Db   -a  103673#         93#         7357#         0#      B-  -2875#        95#      260 111297#        100#
+  48  154  106  260 Sg   -a  106547.495      20.536      7342.5632     0.0790  B-  -6576#       197#      260 114383.435      22.045
+  46  153  107  260 Bh   -a  113123#        196#         7314#         1#      B-      *                  260 121443#        211#
+0 59  160  101  261 Md   -a   98578#        509#         7391#         2#      B-    123#       547#      261 105828#        546#
+  57  159  102  261 No   -a   98455#        200#         7388#         1#      B-  -1102#       283#      261 105696#        215#
+  55  158  103  261 Lr   -a   99557#        200#         7381#         1#      B-  -1761#       211#      261 106879#        215#
+  53  157  104  261 Rf   -a  101318.233      65.663      7371.3858     0.2516  B-  -2990#       128#      261 108769.591      70.492
+  51  156  105  261 Db   -a  104308#        110#         7357#         0#      B-  -3697#       112#      261 111979#        118#
+  49  155  106  261 Sg   -a  108005.004      18.494      7339.7710     0.0709  B-  -5074.4052   180.7519  261 115948.135      19.853
+  47  154  107  261 Bh   -a  113079.410     179.803      7317.3313     0.6889  B-      *                  261 121395.733     193.026
+0 60  161  101  262 Md   -a  101667#        448#         7382#         2#      B-   1566#       575#      262 109144#        481#
+  58  160  102  262 No   -a  100101#        361#         7385#         1#      B-  -2004#       412#      262 107463#        387#
+  56  159  103  262 Lr   -a  102105#        200#         7374#         1#      B-   -287#       300#      262 109615#        215#
+  54  158  104  262 Rf   -a  102392#        224#         7370#         1#      B-  -3861#       265#      262 109923#        240#
+  52  157  105  262 Db   -a  106253#        143#         7352#         1#      B-  -2116#       145#      262 114067#        154#
+  50  156  106  262 Sg   -a  108369.072      22.167      7341.1736     0.0846  B-  -5883.0463    95.6774  262 116338.978      23.797
+  48  155  107  262 Bh   -a  114252.119      93.074      7315.7331     0.3552  B-      *                  262 122654.688      99.919
+0 59  161  102  263 No   -a  103129#        490#         7376#         2#      B-   -540#       539#      263 110714#        526#
+  57  160  103  263 Lr   -a  103669#        224#         7371#         1#      B-  -1087#       271#      263 111293#        240#
+  55  159  104  263 Rf   -a  104757#        153#         7364#         1#      B-  -2353#       227#      263 112461#        164#
+  53  158  105  263 Db   -a  107110#        168#         7352#         1#      B-  -3085#       193#      263 114987#        180#
+  51  157  106  263 Sg   -a  110195#         95#         7337#         0#      B-  -4301#       320#      263 118299#        101#
+  49  156  107  263 Bh   -a  114496#        305#         7318#         1#      B-  -5182#       363#      263 122916#        328#
+  47  155  108  263 Hs   -a  119678#        197#         7295#         1#      B-      *                  263 128479#        212#
+0 60  162  102  264 No   -a  105011#        591#         7371#         2#      B-  -1364#       734#      264 112734#        634#
+  58  161  103  264 Lr   -a  106375#        436#         7363#         2#      B-    300#       566#      264 114198#        468#
+  56  160  104  264 Rf   -a  106075#        361#         7361#         1#      B-  -3187#       431#      264 113876#        387#
+  54  159  105  264 Db   -a  109262#        236#         7346#         1#      B-  -1521#       368#      264 117297#        253#
+  52  158  106  264 Sg   -a  110783#        283#         7338#         1#      B-  -5175#       334#      264 118930#        304#
+  50  157  107  264 Bh   -a  115958#        177#         7315#         1#      B-  -3605#       180#      264 124486#        190#
+  48  156  108  264 Hs   -a  119563.165      28.881      7298.3762     0.1094  B-      *                  264 128356.330      31.005
+0 59  162  103  265 Lr   -a  108233#        547#         7359#         2#      B-   -457#       655#      265 116193#        587#
+  57  161  104  265 Rf   -a  108690#        361#         7354#         1#      B-  -1692#       424#      265 116683#        387#
+  55  160  105  265 Db   -a  110382#        224#         7345#         1#      B-  -2412#       263#      265 118500#        240#
+  53  159  106  265 Sg   -a  112794#        139#         7333#         1#      B-  -3601#       277#      265 121089#        149#
+  51  158  107  265 Bh   -a  116395#        239#         7316#         1#      B-  -4505#       240#      265 124955#        257#
+  49  157  108  265 Hs   -a  120900.245      23.958      7296.2474     0.0904  B-  -5724#       439#      265 129791.744      25.719
+  47  156  109  265 Mt   -a  126624#        439#         7272#         2#      B-      *                  265 135937#        471#
+0 60  163  103  266 Lr   -a  111662#        539#         7349#         2#      B-   1526#       679#      266 119874#        579#
+  58  162  104  266 Rf   -a  110136#        412#         7351#         2#      B-  -2604#       500#      266 118236#        443#
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+  48  157  109  266 Mt   -a  127672.681      96.473      7270.7598     0.3627  B-      *                  266 137062.253     103.568
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+  54  165  111  276 Rg   -a  147386#        629#         7223#         2#      B-  -2974#       804#      276 158226#        675#
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+  60  170  110  280 Ds   -a  150320#        748#         7227#         3#      B-  -3566#       918#      280 161375#        803#
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+  56  168  112  280 Cn   -a  155654#        583#         7202#         2#      B-  -5585#       707#      280 167102#        626#
+  54  167  113  280 Nh    x  161240#        400#         7180#         1#      B-      *                  280 173098#        429#
+0 63  172  109  281 Mt    x  152400#        600#         7225#         2#      B-   -873#       776#      281 163608#        644#
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+0 64  173  109  282 Mt   -a  155455#        447#         7218#         2#      B-    665#       538#      282 166888#        480#
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+  60  171  111  282 Rg   -a  157742#        588#         7204#         2#      B-  -1084#       804#      282 169343#        631#
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+  56  169  113  282 Nh   -a  163729#        400#         7177#         1#      B-      *                  282 175770#        430#
+0 63  173  110  283 Ds    x  157830#        500#         7210#         2#      B-  -1550#       843#      283 169437#        537#
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+  59  171  112  283 Cn   -a  161337#        615#         7192#         2#      B-  -3226#       754#      283 173202#        660#
+  57  170  113  283 Nh   -a  164563#        437#         7177#         2#      B-      *                  283 176666#        469#
+0 64  174  110  284 Ds    x  159460#        500#         7207#         2#      B-  -2510#       707#      284 171187#        537#
+  62  173  111  284 Rg    x  161970#        500#         7195#         2#      B-   -445#       912#      284 173882#        537#
+  60  172  112  284 Cn   -a  162415#        762#         7191#         3#      B-  -4176#       931#      284 174360#        819#
+  58  171  113  284 Nh   -a  166591#        533#         7173#         2#      B-  -2188#       845#      284 178843#        573#
+  56  170  114  284 Fl   -a  168779#        656#         7163#         2#      B-      *                  284 181192#        704#
+0 63  174  111  285 Rg    x  163730#        600#         7192#         2#      B-  -1357#       785#      285 175771#        644#
+  61  173  112  285 Cn   -a  165086#        507#         7185#         2#      B-  -2682#       926#      285 177227#        544#
+  59  172  113  285 Nh   -a  167768#        775#         7172#         3#      B-  -3164#       874#      285 180106#        832#
+  57  171  114  285 Fl   -a  170932#        404#         7159#         1#      B-      *                  285 183503#        433#
+0 64  175  111  286 Rg   -a  166510#        458#         7185#         2#      B-     61#       836#      286 178756#        492#
+  62  174  112  286 Cn    x  166450#        700#         7183#         2#      B-  -3507#       915#      286 178691#        751#
+  60  173  113  286 Nh   -a  169957#        590#         7168#         2#      B-  -1649#       806#      286 182456#        634#
+  58  172  114  286 Fl   -a  171606#        549#         7159#         2#      B-      *                  286 184226#        590#
+0 63  175  112  287 Cn    x  169370#        700#         7176#         2#      B-  -2085#       995#      287 181826#        751#
+  61  174  113  287 Nh   -a  171455#        707#         7166#         2#      B-  -2474#       939#      287 184064#        759#
+  59  173  114  287 Fl   -a  173929#        617#         7155#         2#      B-  -3819#       759#      287 186720#        663#
+  57  172  115  287 Mc   -a  177748#        443#         7139#         2#      B-      *                  287 190820#        475#
+0 64  176  112  288 Cn    x  170930#        700#         7174#         2#      B-  -3039#       989#      288 183501#        751#
+  62  175  113  288 Nh    x  173970#        700#         7160#         2#      B-   -947#      1035#      288 186764#        751#
+  60  174  114  288 Fl   -a  174917#        763#         7154#         3#      B-  -4749#       932#      288 187781#        819#
+  58  173  115  288 Mc   -a  179666#        536#         7135#         2#      B-      *                  288 192879#        575#
+0 63  176  113  289 Nh    x  175550#        500#         7158#         2#      B-  -1915#       715#      289 188461#        537#
+  61  175  114  289 Fl   -a  177465#        511#         7149#         2#      B-  -3217#       929#      289 190517#        548#
+  59  174  115  289 Mc   -a  180683#        776#         7135#         3#      B-  -3774#       925#      289 193971#        834#
+  57  173  116  289 Lv   -a  184457#        503#         7119#         2#      B-      *                  289 198023#        540#
+0 64  177  113  290 Nh   -a  178315#        469#         7152#         2#      B-   -416#       843#      290 191429#        503#
+  62  176  114  290 Fl   -a  178731#        700#         7147#         2#      B-  -4061#       917#      290 191875#        752#
+  60  175  115  290 Mc   -a  182792#        592#         7131#         2#      B-  -2236#       809#      290 196235#        635#
+  58  174  116  290 Lv   -a  185028#        552#         7120#         2#      B-      *                  290 198635#        593#
+0 63  177  114  291 Fl    x  181500#        700#         7141#         2#      B-  -2680#      1015#      291 194848#        751#
+  61  176  115  291 Mc   -a  184180#        735#         7129#         3#      B-  -3064#       964#      291 197725#        789#
+  59  175  116  291 Lv   -a  187244#        623#         7116#         2#      B-  -4409#       863#      291 201014#        669#
+  57  174  117  291 Ts   -a  191653#        597#         7098#         2#      B-      *                  291 205748#        640#
+0 62  177  115  292 Mc    x  186600#        700#         7124#         2#      B-  -1533#      1035#      292 200323#        751#
+  60  176  116  292 Lv   -a  188133#        763#         7116#         3#      B-  -5488#      1014#      292 201969#        819#
+  58  175  117  292 Ts   -a  193621#        669#         7095#         2#      B-      *                  292 207861#        718#
+0 61  177  116  293 Lv   -a  190568#        515#         7111#         2#      B-  -3860#       933#      293 204583#        553#
+  59  176  117  293 Ts   -a  194428#        778#         7095#         3#      B-  -4374#      1053#      293 208727#        835#
+  57  175  118  293 Og   -a  198802#        709#         7078#         2#      B-      *                  293 213423#        761#
+0 60  177  117  294 Ts   -a  196397#        593#         7092#         2#      B-  -2923#       811#      294 210840#        637#
+  58  176  118  294 Og   -a  199320#        553#         7079#         2#      B-      *                  294 213979#        594#
+0 59  177  118  295 Og   -a  201369#        655#         7076#         2#      B-      *                  295 216178#        703#
diff --git a/setup.py b/setup.py
index e11c50d56..a9e863da2 100755
--- a/setup.py
+++ b/setup.py
@@ -28,7 +28,7 @@ kwargs = {
     # Data files and libraries
     'package_data': {
         'openmc.lib': ['libopenmc.{}'.format(suffix)],
-        'openmc.data': ['mass16.txt', 'BREMX.DAT', 'half_life.json', '*.h5'],
+        'openmc.data': ['mass_1.mas20.txt', 'BREMX.DAT', 'half_life.json', '*.h5'],
         'openmc.data.effective_dose': ['*.txt']
     },
 

From f5f42a4c80536ee39c154a518fad0acc375d3956 Mon Sep 17 00:00:00 2001
From: Ethan Peterson <ethan.peterson@mit.edu>
Date: Wed, 26 Oct 2022 13:37:09 -0400
Subject: [PATCH 1212/2654] Update openmc/geometry.py

Co-authored-by: Patrick Shriwise <pshriwise@gmail.com>
---
 openmc/geometry.py | 6 +++---
 1 file changed, 3 insertions(+), 3 deletions(-)

diff --git a/openmc/geometry.py b/openmc/geometry.py
index 08608a5cd..379a2bb4e 100644
--- a/openmc/geometry.py
+++ b/openmc/geometry.py
@@ -448,16 +448,16 @@ class Geometry:
         """
         # check if redundant surfaces have not been calculated yet
         if self._redundant_surface_map is None:
-            tally = defaultdict(list)
+            redundancies = defaultdict(list)
             for surf in self.get_all_surfaces().values():
                 coeffs = tuple(round(surf._coefficients[k],
                                      self.surface_precision)
                                for k in surf._coeff_keys)
                 key = (surf._type,) + coeffs
-                tally[key].append(surf)
+                redundancies[key].append(surf)
 
             self._redundant_surface_map = {replace.id: keep
-                                           for keep, *redundant in tally.values()
+                                           for keep, *redundant in redundancies.values()
                                            for replace in redundant}
 
         return self._redundant_surface_map

From 5d177a5ace4e640a76f5941b76468f3c604e938c Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <drshimwell@gmail.com>
Date: Wed, 26 Oct 2022 20:21:06 +0100
Subject: [PATCH 1213/2654] Apply suggestions from code review by @paulromano

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/source.py | 6 +++---
 1 file changed, 3 insertions(+), 3 deletions(-)

diff --git a/openmc/source.py b/openmc/source.py
index 05954da77..7be7b838a 100644
--- a/openmc/source.py
+++ b/openmc/source.py
@@ -364,8 +364,8 @@ class SourceParticle:
     """
     def __init__(
         self,
-        r: Tuple[float, float, float] = (0., 0., 0.),
-        u: Tuple[float, float, float] = (0., 0., 1.),
+        r: typing.Iterable[float] = (0., 0., 0.),
+        u: typing.Iterable[float] = (0., 0., 1.),
         E: float = 1.0e6,
         time: float = 0.0,
         wgt: float = 1.0,
@@ -401,7 +401,7 @@ class SourceParticle:
 
 
 def write_source_file(
-    source_particles: 'typing.Iterable[openmc.SourceParticle]',
+    source_particles: typing.Iterable[SourceParticle],
     filename: PathLike, **kwargs
 ):
     """Write a source file using a collection of source particles

From 84b055e15bf1bc08697129f154f33a55e4252086 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Wed, 26 Oct 2022 20:24:23 +0100
Subject: [PATCH 1214/2654] reordered imports to avoid circular imports

---
 openmc/__init__.py | 4 ++--
 openmc/source.py   | 4 ++--
 2 files changed, 4 insertions(+), 4 deletions(-)

diff --git a/openmc/__init__.py b/openmc/__init__.py
index ca21bf17b..9615024f2 100644
--- a/openmc/__init__.py
+++ b/openmc/__init__.py
@@ -10,11 +10,11 @@ from openmc.material import *
 from openmc.plots import *
 from openmc.region import *
 from openmc.volume import *
-from openmc.source import *
 from openmc.weight_windows import *
-from openmc.settings import *
 from openmc.surface import *
 from openmc.universe import *
+from openmc.source import *
+from openmc.settings import *
 from openmc.lattice import *
 from openmc.filter import *
 from openmc.filter_expansion import *
diff --git a/openmc/source.py b/openmc/source.py
index 7be7b838a..fd5b737e5 100644
--- a/openmc/source.py
+++ b/openmc/source.py
@@ -84,7 +84,7 @@ class Source:
         parameters: Optional[str] = None,
         strength: float = 1.0,
         particle: str = 'neutron',
-        domains: Optional[Union[openmc.Cell, openmc.Material, 'openmc.Universe']] = None
+        domains: Optional[Union[openmc.Cell, openmc.Material, openmc.Universe]] = None
     ):
         self._space = None
         self._angle = None
@@ -257,7 +257,7 @@ class Source:
         return element
 
     @classmethod
-    def from_xml_element(cls, elem: ET.Element) -> 'openmc.Source':
+    def from_xml_element(cls, elem: ET.Element) -> openmc.Source:
         """Generate source from an XML element
 
         Parameters

From 2af754baa9982585b3dc860be081e00b30d57c36 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Wed, 26 Oct 2022 20:32:44 +0100
Subject: [PATCH 1215/2654] forward ref for openmc.source

---
 openmc/source.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/source.py b/openmc/source.py
index fd5b737e5..ee5cc4875 100644
--- a/openmc/source.py
+++ b/openmc/source.py
@@ -257,7 +257,7 @@ class Source:
         return element
 
     @classmethod
-    def from_xml_element(cls, elem: ET.Element) -> openmc.Source:
+    def from_xml_element(cls, elem: ET.Element) -> 'openmc.Source':
         """Generate source from an XML element
 
         Parameters

From 9ff159a4db2b2a72861f45aa96358cce425c72dd Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Wed, 26 Oct 2022 21:08:12 +0100
Subject: [PATCH 1216/2654] updated to new AME format

---
 openmc/data/data.py                | 12 ++++++------
 tests/unit_tests/test_data_misc.py | 10 ++++++----
 2 files changed, 12 insertions(+), 10 deletions(-)

diff --git a/openmc/data/data.py b/openmc/data/data.py
index 361aa6457..fcdafede7 100644
--- a/openmc/data/data.py
+++ b/openmc/data/data.py
@@ -223,19 +223,19 @@ def atomic_mass(isotope):
     """
     if not _ATOMIC_MASS:
 
-        # Load data from AME2016 file
+        # Load data from AME2020 file, Note format change to AME2016
         mass_file = os.path.join(os.path.dirname(__file__), 'mass_1.mas20.txt')
         with open(mass_file, 'r') as ame:
-            # Read lines in file starting at line 40
-            for line in itertools.islice(ame, 39, None):
+            # Read lines in file starting at line 37
+            for line in itertools.islice(ame, 36, None):
                 name = f'{line[20:22].strip()}{int(line[16:19])}'
-                mass = float(line[96:99]) + 1e-6*float(
-                    line[100:106] + '.' + line[107:112])
+                mass = float(line[106:109]) + 1e-6*float(
+                    line[110:116] + '.' + line[117:123])
                 _ATOMIC_MASS[name.lower()] = mass
 
         # For isotopes found in some libraries that represent all natural
         # isotopes of their element (e.g. C0), calculate the atomic mass as
-        # the sum of the atomic mass times the natural abudance of the isotopes
+        # the sum of the atomic mass times the natural abundance of the isotopes
         # that make up the element.
         for element in ['C', 'Zn', 'Pt', 'Os', 'Tl']:
             isotope_zero = element.lower() + '0'
diff --git a/tests/unit_tests/test_data_misc.py b/tests/unit_tests/test_data_misc.py
index c3f7e3cff..37e024fe2 100644
--- a/tests/unit_tests/test_data_misc.py
+++ b/tests/unit_tests/test_data_misc.py
@@ -76,15 +76,17 @@ def test_thin():
 
 
 def test_atomic_mass():
-    assert openmc.data.atomic_mass('H1') == 1.00782503224
-    assert openmc.data.atomic_mass('U235') == 235.04392819
+    assert openmc.data.atomic_mass('H1') == 1.007825031898
+    assert openmc.data.atomic_mass('U235') == 235.043928117
+    assert openmc.data.atomic_mass('Li6') == 6.01512288742
+    assert openmc.data.atomic_mass('Pb220') == 220.025905
     with pytest.raises(KeyError):
         openmc.data.atomic_mass('U100')
 
 
 def test_atomic_weight():
-    assert openmc.data.atomic_weight('C') == 12.011115164864455
-    assert openmc.data.atomic_weight('carbon') == 12.011115164864455
+    assert openmc.data.atomic_weight('C') == 12.011115164865895
+    assert openmc.data.atomic_weight('carbon') == 12.011115164865895
     with pytest.raises(ValueError):
         openmc.data.atomic_weight('Qt')
 

From df9f7ec8147e41e05960efc996a846c872c087a3 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 27 Oct 2022 08:51:32 -0500
Subject: [PATCH 1217/2654] Make sure Chain.reduce preserves information in the
 .sources attribute

---
 openmc/deplete/chain.py                | 1 +
 tests/unit_tests/test_deplete_chain.py | 2 ++
 2 files changed, 3 insertions(+)

diff --git a/openmc/deplete/chain.py b/openmc/deplete/chain.py
index ce376a181..33ac8a342 100644
--- a/openmc/deplete/chain.py
+++ b/openmc/deplete/chain.py
@@ -1025,6 +1025,7 @@ class Chain:
             new_nuclide = Nuclide(previous.name)
             new_nuclide.half_life = previous.half_life
             new_nuclide.decay_energy = previous.decay_energy
+            new_nuclide.sources = previous.sources.copy()
             if hasattr(previous, '_fpy'):
                 new_nuclide._fpy = previous._fpy
 
diff --git a/tests/unit_tests/test_deplete_chain.py b/tests/unit_tests/test_deplete_chain.py
index 32c3e2809..e4e023135 100644
--- a/tests/unit_tests/test_deplete_chain.py
+++ b/tests/unit_tests/test_deplete_chain.py
@@ -500,6 +500,7 @@ def test_reduce(gnd_simple_chain, endf_chain):
     assert u5_round0.n_decay_modes == ref_U5.n_decay_modes
     assert u5_round0.half_life == ref_U5.half_life
     assert u5_round0.decay_energy == ref_U5.decay_energy
+    assert u5_round0.sources == ref_U5.sources
     for newmode, refmode in zip(u5_round0.decay_modes, ref_U5.decay_modes):
         assert newmode.target is None
         assert newmode.type == refmode.type
@@ -522,6 +523,7 @@ def test_reduce(gnd_simple_chain, endf_chain):
     assert bareI5.n_decay_modes == ref_iodine.n_decay_modes
     assert bareI5.half_life == ref_iodine.half_life
     assert bareI5.decay_energy == ref_iodine.decay_energy
+    assert bareI5.sources == ref_iodine.sources
     for newmode, refmode in zip(bareI5.decay_modes, ref_iodine.decay_modes):
         assert newmode.target is None
         assert newmode.type == refmode.type

From 459b0f1fcf0c864fcb1c3037df831c97c15bdd65 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Thu, 27 Oct 2022 16:17:49 +0100
Subject: [PATCH 1218/2654] avoid union namespace overwrite

---
 openmc/source.py | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/openmc/source.py b/openmc/source.py
index ee5cc4875..a5907344e 100644
--- a/openmc/source.py
+++ b/openmc/source.py
@@ -3,7 +3,7 @@ from enum import Enum
 from numbers import Real
 import warnings
 import typing  # imported separately as py3.8 requires typing.Iterable
-from typing import Optional, Union, Tuple
+from typing import Optional
 from xml.etree import ElementTree as ET
 
 import numpy as np
@@ -84,7 +84,7 @@ class Source:
         parameters: Optional[str] = None,
         strength: float = 1.0,
         particle: str = 'neutron',
-        domains: Optional[Union[openmc.Cell, openmc.Material, openmc.Universe]] = None
+        domains: Optional[typing.Union[openmc.Cell, openmc.Material, openmc.Universe]] = None
     ):
         self._space = None
         self._angle = None

From 3623408bc54baad55d8429a178dd408fc89e1115 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Thu, 27 Oct 2022 17:38:27 +0100
Subject: [PATCH 1219/2654] avoid namespace overwrite of union

---
 openmc/checkvalue.py      | 4 ++--
 openmc/deplete/results.py | 7 ++++---
 openmc/material.py        | 4 ++--
 openmc/settings.py        | 9 +++++----
 openmc/source.py          | 1 +
 5 files changed, 14 insertions(+), 11 deletions(-)

diff --git a/openmc/checkvalue.py b/openmc/checkvalue.py
index c5d80b2fc..840306486 100644
--- a/openmc/checkvalue.py
+++ b/openmc/checkvalue.py
@@ -1,12 +1,12 @@
 import copy
 import os
-from typing import Union
+import typing  # required to prevent typing.Union namespace overwriting Union
 from collections.abc import Iterable
 
 import numpy as np
 
 # Type for arguments that accept file paths
-PathLike = Union[str, os.PathLike]
+PathLike = typing.Union[str, os.PathLike]
 
 
 def check_type(name, value, expected_type, expected_iter_type=None, *, none_ok=False):
diff --git a/openmc/deplete/results.py b/openmc/deplete/results.py
index d9aa52b79..9552a6ba6 100644
--- a/openmc/deplete/results.py
+++ b/openmc/deplete/results.py
@@ -1,7 +1,8 @@
 import numbers
 import bisect
 import math
-from typing import Iterable, Optional, Tuple, Union
+import typing  # required to prevent typing.Union namespace overwriting Union
+from typing import Iterable, Optional, Tuple
 from warnings import warn
 
 import h5py
@@ -95,7 +96,7 @@ class Results(list):
 
     def get_atoms(
         self,
-        mat: Union[Material, str],
+        mat: typing.Union[Material, str],
         nuc: str,
         nuc_units: str = "atoms",
         time_units: str = "s"
@@ -165,7 +166,7 @@ class Results(list):
 
     def get_reaction_rate(
         self,
-        mat: Union[Material, str],
+        mat: typing.Union[Material, str],
         nuc: str,
         rx: str
     ) -> Tuple[np.ndarray, np.ndarray]:
diff --git a/openmc/material.py b/openmc/material.py
index 1979b3958..10ade8bfe 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -6,7 +6,7 @@ from pathlib import Path
 import re
 import typing  # imported separately as py3.8 requires typing.Iterable
 import warnings
-from typing import Optional, Union
+from typing import Optional
 from xml.etree import ElementTree as ET
 
 import h5py
@@ -968,7 +968,7 @@ class Material(IDManagerMixin):
 
         Returns
         -------
-        Union[dict, float]
+        typing.Union[dict, float]
             If by_nuclide is True then a dictionary whose keys are nuclide
             names and values are activity is returned. Otherwise the activity
             of the material is returned as a float.
diff --git a/openmc/settings.py b/openmc/settings.py
index ad5a9b28a..45658f812 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -6,7 +6,8 @@ import itertools
 from math import ceil
 from numbers import Integral, Real
 from pathlib import Path
-from typing import Optional, Union
+import typing  # required to prevent typing.Union namespace overwriting Union
+from typing import Optional
 from xml.etree import ElementTree as ET
 
 import openmc.checkvalue as cv
@@ -582,7 +583,7 @@ class Settings:
         self._max_order = max_order
 
     @source.setter
-    def source(self, source: Union[Source, typing.Iterable[Source]]):
+    def source(self, source: typing.Union[Source, typing.Iterable[Source]]):
         if not isinstance(source, MutableSequence):
             source = [source]
         self._source = cv.CheckedList(Source, 'source distributions', source)
@@ -843,7 +844,7 @@ class Settings:
 
     @volume_calculations.setter
     def volume_calculations(
-        self, vol_calcs: Union[VolumeCalculation, typing.Iterable[VolumeCalculation]]
+        self, vol_calcs: typing.Union[VolumeCalculation, typing.Iterable[VolumeCalculation]]
     ):
         if not isinstance(vol_calcs, MutableSequence):
             vol_calcs = [vol_calcs]
@@ -889,7 +890,7 @@ class Settings:
         self._write_initial_source = value
 
     @weight_windows.setter
-    def weight_windows(self, value: Union[WeightWindows, typing.Iterable[WeightWindows]]):
+    def weight_windows(self, value: typing.Union[WeightWindows, typing.Iterable[WeightWindows]]):
         if not isinstance(value, MutableSequence):
             value = [value]
         self._weight_windows = cv.CheckedList(WeightWindows, 'weight windows', value)
diff --git a/openmc/source.py b/openmc/source.py
index a5907344e..d886e9891 100644
--- a/openmc/source.py
+++ b/openmc/source.py
@@ -3,6 +3,7 @@ from enum import Enum
 from numbers import Real
 import warnings
 import typing  # imported separately as py3.8 requires typing.Iterable
+# also required to prevent typing.Union namespace overwriting Union
 from typing import Optional
 from xml.etree import ElementTree as ET
 

From 5c589b7a6cd86d34d5eaef63e53abb63646f4092 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 27 Oct 2022 11:11:56 -0500
Subject: [PATCH 1220/2654] Adding __eq__ method and roundtrip test for wws

---
 openmc/weight_windows.py               | 31 ++++++++-
 tests/unit_tests/weightwindows/test.py | 92 ++++++++++++++++----------
 2 files changed, 88 insertions(+), 35 deletions(-)

diff --git a/openmc/weight_windows.py b/openmc/weight_windows.py
index 3a9bfff6d..5b43331c0 100644
--- a/openmc/weight_windows.py
+++ b/openmc/weight_windows.py
@@ -159,6 +159,35 @@ class WeightWindows(IDManagerMixin):
         string += '{: <16}=\t{}\n'.format('\tWeight Cutoff', self._weight_cutoff)
         return string
 
+    def __eq__(self, other):
+        # ensure that `other` is a WeightWindows object
+        if not isinstance(other, WeightWindows):
+            return False
+
+        # TODO: add ability to check mesh equality
+
+        # check a few more attributes directly
+        attrs = ('particle_type',
+                 'survival_ratio',
+                 'max_lower_bound_ratio',
+                 'max_split',
+                 'weight_cutoff')
+        for attr in attrs:
+            if getattr(self, attr) != getattr(other, attr):
+                return False
+
+        # save most expensive checks for last
+        if not np.array_equal(self.energy_bounds, other.energy_bounds):
+            return False
+
+        if not np.array_equal(self.lower_ww_bounds, other.lower_ww_bounds):
+            return False
+
+        if not np.array_equal(self.upper_ww_bounds, other.upper_ww_bounds):
+            return False
+
+        return True
+
     @property
     def mesh(self):
         return self._mesh
@@ -341,7 +370,7 @@ class WeightWindows(IDManagerMixin):
         particle_type = get_text(elem, 'particle_type')
         survival_ratio = float(get_text(elem, 'survival_ratio'))
 
-        ww_shape = (len(e_bounds) - 1,) + mesh.dimension[::-1]
+        ww_shape = (len(e_bounds) - 1,) + tuple(mesh.dimension[::-1])
         lower_ww_bounds = np.array(lower_ww_bounds).reshape(ww_shape).T
         upper_ww_bounds = np.array(upper_ww_bounds).reshape(ww_shape).T
 
diff --git a/tests/unit_tests/weightwindows/test.py b/tests/unit_tests/weightwindows/test.py
index 51e2fdc62..18a738561 100644
--- a/tests/unit_tests/weightwindows/test.py
+++ b/tests/unit_tests/weightwindows/test.py
@@ -10,6 +10,45 @@ from openmc.stats import Discrete, Point
 
 from tests import cdtemp
 
+
+@pytest.fixture
+def wws():
+
+    # weight windows
+
+    # load pre-generated weight windows
+    # (created using the same tally as above)
+    ww_n_lower_bnds = np.loadtxt('ww_n.txt')
+    ww_p_lower_bnds = np.loadtxt('ww_p.txt')
+
+    # create a mesh matching the one used
+    # to generate the weight windows
+    ww_mesh = openmc.RegularMesh()
+    ww_mesh.lower_left = (-240, -240, -240)
+    ww_mesh.upper_right = (240, 240, 240)
+    ww_mesh.dimension = (5, 6, 7)
+
+    # energy bounds matching those of the
+    # generated weight windows
+    e_bnds = [0.0, 0.5, 2E7]
+
+    ww_n = openmc.WeightWindows(ww_mesh,
+                                ww_n_lower_bnds,
+                                None,
+                                10.0,
+                                e_bnds,
+                                survival_ratio=1.01)
+
+    ww_p = openmc.WeightWindows(ww_mesh,
+                                ww_p_lower_bnds,
+                                None,
+                                10.0,
+                                e_bnds,
+                                survival_ratio=1.01)
+
+    return [ww_n, ww_p]
+
+
 @pytest.fixture
 def model():
     openmc.reset_auto_ids()
@@ -80,7 +119,7 @@ def model():
     return model
 
 
-def test_weightwindows(model):
+def test_weightwindows(model, wws):
 
     ww_files = ('ww_n.txt', 'ww_p.txt')
     cwd = Path(__file__).parent.absolute()
@@ -92,39 +131,7 @@ def test_weightwindows(model):
         analog_sp = model.run()
         os.rename(analog_sp, 'statepoint.analog.h5')
 
-        # weight windows
-
-        # load pre-generated weight windows
-        # (created using the same tally as above)
-        ww_n_lower_bnds = np.loadtxt('ww_n.txt')
-        ww_p_lower_bnds = np.loadtxt('ww_p.txt')
-
-        # create a mesh matching the one used
-        # to generate the weight windows
-        ww_mesh = openmc.RegularMesh()
-        ww_mesh.lower_left = (-240, -240, -240)
-        ww_mesh.upper_right = (240, 240, 240)
-        ww_mesh.dimension = (5, 6, 7)
-
-        # energy bounds matching those of the
-        # generated weight windows
-        e_bnds = [0.0, 0.5, 2E7]
-
-        ww_n = openmc.WeightWindows(ww_mesh,
-                                    ww_n_lower_bnds,
-                                    None,
-                                    10.0,
-                                    e_bnds,
-                                    survival_ratio=1.01)
-
-        ww_p = openmc.WeightWindows(ww_mesh,
-                                    ww_p_lower_bnds,
-                                    None,
-                                    10.0,
-                                    e_bnds,
-                                    survival_ratio=1.01)
-
-        model.settings.weight_windows = [ww_n, ww_p]
+        model.settings.weight_windows = wws
 
         # check that string form of the class can be created
         for ww in model.settings.weight_windows:
@@ -211,3 +218,20 @@ def test_lower_ww_bounds_shape():
         energy_bounds=(1, 1e40)
     )
     assert ww.lower_ww_bounds.shape == (2, 3, 4, 1)
+
+
+def test_roundtrip(model, wws):
+    model.settings.weight_windows = wws
+
+    # write the model with weight windows to XML
+    model.export_to_xml()
+
+    # ensure that they can be read successfully from XML and that they match the input values
+    model_read = openmc.Model.from_xml()
+
+    zipped_wws = zip(model.settings.weight_windows,
+                     model_read.settings.weight_windows)
+
+    # ensure the lower bounds read in from the XML match those of the
+    for ww_out, ww_in in zipped_wws:
+        assert(ww_out == ww_in)

From 53ec17eb77877c02579ef768c7556410a118129f Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 27 Oct 2022 11:41:12 -0500
Subject: [PATCH 1221/2654] fix comment

---
 openmc/weight_windows.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/weight_windows.py b/openmc/weight_windows.py
index 5b43331c0..44de64041 100644
--- a/openmc/weight_windows.py
+++ b/openmc/weight_windows.py
@@ -166,7 +166,7 @@ class WeightWindows(IDManagerMixin):
 
         # TODO: add ability to check mesh equality
 
-        # check a few more attributes directly
+        # check several attributes directly
         attrs = ('particle_type',
                  'survival_ratio',
                  'max_lower_bound_ratio',

From 80563f1b8cf01f8cb74c5607d08ed47268c1e1b7 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 27 Oct 2022 14:43:14 -0500
Subject: [PATCH 1222/2654] Absolute file paths on system

---
 tests/unit_tests/weightwindows/test.py | 9 +++++++--
 1 file changed, 7 insertions(+), 2 deletions(-)

diff --git a/tests/unit_tests/weightwindows/test.py b/tests/unit_tests/weightwindows/test.py
index 18a738561..d73a52f45 100644
--- a/tests/unit_tests/weightwindows/test.py
+++ b/tests/unit_tests/weightwindows/test.py
@@ -16,10 +16,15 @@ def wws():
 
     # weight windows
 
+
+    ww_files = ('ww_n.txt', 'ww_p.txt')
+    cwd = Path(__file__).parent.absolute()
+    ww_n_file, ww_p_file = [cwd / Path(f) for f in ww_files]
+
     # load pre-generated weight windows
     # (created using the same tally as above)
-    ww_n_lower_bnds = np.loadtxt('ww_n.txt')
-    ww_p_lower_bnds = np.loadtxt('ww_p.txt')
+    ww_n_lower_bnds = np.loadtxt(ww_n_file)
+    ww_p_lower_bnds = np.loadtxt(ww_p_file)
 
     # create a mesh matching the one used
     # to generate the weight windows

From 43033b656c03ac96e40f9effc5b4b8d9e17602d1 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 27 Oct 2022 14:47:16 -0500
Subject: [PATCH 1223/2654] Returning a tuple for RegularMesh.dimension

---
 openmc/mesh.py           | 2 +-
 openmc/weight_windows.py | 2 +-
 2 files changed, 2 insertions(+), 2 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index d4db5011b..72b021066 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -324,7 +324,7 @@ class RegularMesh(StructuredMesh):
 
     @property
     def dimension(self):
-        return self._dimension
+        return tuple(self._dimension)
 
     @property
     def n_dimension(self):
diff --git a/openmc/weight_windows.py b/openmc/weight_windows.py
index 44de64041..cf5a62cc1 100644
--- a/openmc/weight_windows.py
+++ b/openmc/weight_windows.py
@@ -370,7 +370,7 @@ class WeightWindows(IDManagerMixin):
         particle_type = get_text(elem, 'particle_type')
         survival_ratio = float(get_text(elem, 'survival_ratio'))
 
-        ww_shape = (len(e_bounds) - 1,) + tuple(mesh.dimension[::-1])
+        ww_shape = (len(e_bounds) - 1,) + mesh.dimension[::-1]
         lower_ww_bounds = np.array(lower_ww_bounds).reshape(ww_shape).T
         upper_ww_bounds = np.array(upper_ww_bounds).reshape(ww_shape).T
 

From b00404be7c5a9c1e69f660c0fea7107e63afd518 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 28 Oct 2022 04:34:35 +0000
Subject: [PATCH 1224/2654] Updating dimension type to tuple in a couple of
 test checks

---
 tests/regression_tests/dagmc/legacy/test.py | 1 +
 tests/unit_tests/test_settings.py           | 4 ++--
 2 files changed, 3 insertions(+), 2 deletions(-)

diff --git a/tests/regression_tests/dagmc/legacy/test.py b/tests/regression_tests/dagmc/legacy/test.py
index dacbc19ee..91734a219 100644
--- a/tests/regression_tests/dagmc/legacy/test.py
+++ b/tests/regression_tests/dagmc/legacy/test.py
@@ -55,6 +55,7 @@ def model():
 
     return model
 
+
 def test_dagmc(model):
     harness = PyAPITestHarness('statepoint.5.h5', model)
     harness.main()
diff --git a/tests/unit_tests/test_settings.py b/tests/unit_tests/test_settings.py
index 7678711a4..3603b57c1 100644
--- a/tests/unit_tests/test_settings.py
+++ b/tests/unit_tests/test_settings.py
@@ -89,7 +89,7 @@ def test_export_to_xml(run_in_tmpdir):
     assert isinstance(s.entropy_mesh, openmc.RegularMesh)
     assert s.entropy_mesh.lower_left == [-10., -10., -10.]
     assert s.entropy_mesh.upper_right == [10., 10., 10.]
-    assert s.entropy_mesh.dimension == [5, 5, 5]
+    assert s.entropy_mesh.dimension == (5, 5, 5)
     assert s.trigger_active
     assert s.trigger_max_batches == 10000
     assert s.trigger_batch_interval == 50
@@ -102,7 +102,7 @@ def test_export_to_xml(run_in_tmpdir):
     assert isinstance(s.ufs_mesh, openmc.RegularMesh)
     assert s.ufs_mesh.lower_left == [-10., -10., -10.]
     assert s.ufs_mesh.upper_right == [10., 10., 10.]
-    assert s.ufs_mesh.dimension == [5, 5, 5]
+    assert s.ufs_mesh.dimension == (5, 5, 5)
     assert s.resonance_scattering == {'enable': True, 'method': 'rvs',
                                       'energy_min': 1.0, 'energy_max': 1000.0,
                                       'nuclides': ['U235', 'U238', 'Pu239']}

From 7eb1a7bbd093d3398095a32a9359fca70a6d3563 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Fri, 28 Oct 2022 22:07:46 +0100
Subject: [PATCH 1225/2654] updated reference micro xs values

---
 .../microxs/test_reference.csv                | 24 +++++++++----------
 1 file changed, 12 insertions(+), 12 deletions(-)

diff --git a/tests/regression_tests/microxs/test_reference.csv b/tests/regression_tests/microxs/test_reference.csv
index 787ce74c3..00f4783e6 100644
--- a/tests/regression_tests/microxs/test_reference.csv
+++ b/tests/regression_tests/microxs/test_reference.csv
@@ -1,13 +1,13 @@
 nuclide,"(n,gamma)",fission
-U234,22.231989822002465,0.49620744663749855
-U235,10.479008971197121,48.41787337164604
-U238,0.8673334105437324,0.10467880588762352
-U236,8.65171044607122,0.31948392400019293
-O16,7.497851000107524e-05,0.0
-O17,0.0004079227797153371,0.0
-I135,6.842395323713927,0.0
-Xe135,227463.86426990604,0.0
-Xe136,0.02317896034753588,0.0
-Cs135,2.1721665580713623,0.0
-Gd157,12786.09939237018,0.0
-Gd156,3.4006085445846983,0.0
+U234,22.231989815372202,0.49620744658634824
+U235,10.479008966651142,48.417873345870724
+U238,0.8673334103130558,0.1046788058833928
+U236,8.651710443768728,0.3194839239606777
+O16,7.497850998328519e-05,0.0
+O17,0.0004079227795364271,0.0
+I135,6.842395320017149,0.0
+Xe135,227463.8640052883,0.0
+Xe136,0.023178960335476638,0.0
+Cs135,2.1721665579658485,0.0
+Gd157,12786.099387172428,0.0
+Gd156,3.4006085435237843,0.0

From 10b11c02a81fcbe24196668307d55b8f1f9b5ce4 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Fri, 28 Oct 2022 22:25:36 +0100
Subject: [PATCH 1226/2654] f strings and pep8

---
 .../deplete_no_transport/test.py              | 26 ++++++++++++-------
 1 file changed, 17 insertions(+), 9 deletions(-)

diff --git a/tests/regression_tests/deplete_no_transport/test.py b/tests/regression_tests/deplete_no_transport/test.py
index 384653ff7..a36541748 100644
--- a/tests/regression_tests/deplete_no_transport/test.py
+++ b/tests/regression_tests/deplete_no_transport/test.py
@@ -8,6 +8,7 @@ import openmc
 import openmc.deplete
 from openmc.deplete import IndependentOperator, MicroXS
 
+
 @pytest.fixture(scope="module")
 def fuel():
     fuel = openmc.Material(name="uo2")
@@ -25,16 +26,18 @@ def micro_xs():
     micro_xs_file = Path(__file__).parents[2] / 'micro_xs_simple.csv'
     return MicroXS.from_csv(micro_xs_file)
 
+
 @pytest.fixture(scope="module")
 def chain_file():
     return Path(__file__).parents[2] / 'chain_simple.xml'
 
+
 @pytest.mark.parametrize("multiproc, from_nuclides, normalization_mode, power, flux", [
-    (True, True,'source-rate', None, 1164719970082145.0),
+    (True, True, 'source-rate', None, 1164719970082145.0),
     (False, True, 'source-rate', None, 1164719970082145.0),
     (True, True, 'fission-q', 174, None),
     (False, True, 'fission-q', 174, None),
-    (True, False,'source-rate', None, 1164719970082145.0),
+    (True, False, 'source-rate', None, 1164719970082145.0),
     (False, False, 'source-rate', None, 1164719970082145.0),
     (True, False, 'fission-q', 174, None),
     (False, False, 'fission-q', 174, None)])
@@ -90,13 +93,14 @@ def test_against_self(run_in_tmpdir,
     _assert_atoms_equal(res_test, res_ref, tol)
     _assert_reaction_rates_equal(res_test, res_ref, tol)
 
+
 @pytest.mark.parametrize("multiproc, dt, time_units, time_type, atom_tol, rx_tol ", [
     (True, 360, 's', 'minutes', 2.0e-3, 3.0e-2),
     (False, 360, 's', 'minutes', 2.0e-3, 3.0e-2),
     (True, 4, 'h', 'hours', 2.0e-3, 6.0e-2),
-    (False,4, 'h', 'hours', 2.0e-3, 6.0e-2),
+    (False, 4, 'h', 'hours', 2.0e-3, 6.0e-2),
     (True, 5, 'd', 'days', 2.0e-3, 5.0e-2),
-    (False,5, 'd', 'days', 2.0e-3, 5.0e-2),
+    (False, 5, 'd', 'days', 2.0e-3, 5.0e-2),
     (True, 100, 'd', 'months', 4.0e-3, 9.0e-2),
     (False, 100, 'd', 'months', 4.0e-3, 9.0e-2)])
 def test_against_coupled(run_in_tmpdir,
@@ -136,6 +140,7 @@ def test_against_coupled(run_in_tmpdir,
     _assert_atoms_equal(res_test, res_ref, atom_tol)
     _assert_reaction_rates_equal(res_test, res_ref, rx_tol)
 
+
 def _create_operator(from_nuclides,
                      fuel,
                      micro_xs,
@@ -160,20 +165,22 @@ def _create_operator(from_nuclides,
 
     return op
 
+
 def _assert_same_mats(res_ref, res_test):
     for mat in res_ref[0].index_mat:
-            assert mat in res_test[0].index_mat, \
-                "Material {} not in new results.".format(mat)
+        assert mat in res_test[0].index_mat, \
+            f"Material {mat} not in new results."
     for nuc in res_ref[0].index_nuc:
         assert nuc in res_test[0].index_nuc, \
-            "Nuclide {} not in new results.".format(nuc)
+            f"Nuclide {nuc} not in new results."
 
     for mat in res_test[0].index_mat:
         assert mat in res_ref[0].index_mat, \
-            "Material {} not in old results.".format(mat)
+            f"Material {mat} not in old results."
     for nuc in res_test[0].index_nuc:
         assert nuc in res_ref[0].index_nuc, \
-            "Nuclide {} not in old results.".format(nuc)
+            f"Nuclide {nuc} not in old results."
+
 
 def _assert_atoms_equal(res_ref, res_test, tol):
     for mat in res_test[0].index_mat:
@@ -193,6 +200,7 @@ def _assert_atoms_equal(res_ref, res_test, tol):
             assert correct, "Discrepancy in mat {} and nuc {}\n{}\n{}".format(
                 mat, nuc, y_old, y_test)
 
+
 def _assert_reaction_rates_equal(res_ref, res_test, tol):
     for reactions in res_test[0].rates:
         for mat in reactions.index_mat:

From 21ec8baea4abb52ebefabfa06858dcb158fdb773 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Fri, 28 Oct 2022 22:26:14 +0100
Subject: [PATCH 1227/2654] updated reference depletion results

---
 .../test_reference_fission_q.h5               | Bin 36312 -> 36312 bytes
 .../test_reference_source_rate.h5             | Bin 36312 -> 36312 bytes
 2 files changed, 0 insertions(+), 0 deletions(-)

diff --git a/tests/regression_tests/deplete_no_transport/test_reference_fission_q.h5 b/tests/regression_tests/deplete_no_transport/test_reference_fission_q.h5
index 826c5f3b012fb4b1fb26be4193ac451bd232e2a1..4ae9d3660534b651edb9ee20529ff90a02888d20 100644
GIT binary patch
delta 411
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zJ9ObPyFHBmb6?^#lej6iF#bnHsem7s{=)e+xhqsf^NzyxU-iE~KP!SA&R6>|L*l!z
zv5MX0OogU;hugN3=hYvO_@ijYvS`;{=VLB*yJNmBFuM5M_Q>wzlV|rB);r9qvzO24
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U%8v2><as^fllS(Dvw-{v0I+_Q4*&oF

delta 411
zcmcaHo9V`ErVT&3>u+WyuUw~o(Ruq}dpq;Lwk~Ue1CB1Z+TxNk_2u=MHR5&*Q1Ied
z)1eEO+3jKcMUGX|OyZ{4!uXq5?E-#W`U~d=m>*IV%{vO$zdil;{HzFeI6wXAdWrAC
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T+A;p0Jg-N5^4?x?7LXqSVn&fT

diff --git a/tests/regression_tests/deplete_no_transport/test_reference_source_rate.h5 b/tests/regression_tests/deplete_no_transport/test_reference_source_rate.h5
index f5161d37067f6b7ffe333e41270959a75f7ebfda..1572fbd765b9823ab98b9e6719df7f05242f6b9c 100644
GIT binary patch
delta 151
zcmcaHo9V`ErVT&3g=N-OtX!vl(RqtWik<miTbIA-DU-Q-R3}^XDohUO5ty9OE5R5s
zxv|$~^41=4j|1Q9?YVdEdFIOa*~#fh+o_M!cR5M6-k-L{_l;AO^m|T~Kxe1=$IoAi
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C*hG5(

delta 178
zcmcaHo9V`ErVT&3g>PmhuUw~o(Ruq}dpq;Lwk~Ue1159#s4^~{Y}ljExN>r0k2qua
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From fc0e2c9bd06a42f436a81cca5d79e4460b8455f1 Mon Sep 17 00:00:00 2001
From: josh <josh@radiantnuclear.com>
Date: Sun, 30 Oct 2022 03:28:14 +0000
Subject: [PATCH 1228/2654] undo formatting change of settings file

---
 openmc/settings.py | 715 +++++++++++++++++++++------------------------
 1 file changed, 340 insertions(+), 375 deletions(-)

diff --git a/openmc/settings.py b/openmc/settings.py
index e6561ffb9..f13b233de 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -17,14 +17,14 @@ from openmc.checkvalue import PathLike
 
 
 class RunMode(Enum):
-    EIGENVALUE = "eigenvalue"
-    FIXED_SOURCE = "fixed source"
-    PLOT = "plot"
-    VOLUME = "volume"
-    PARTICLE_RESTART = "particle restart"
+    EIGENVALUE = 'eigenvalue'
+    FIXED_SOURCE = 'fixed source'
+    PLOT = 'plot'
+    VOLUME = 'volume'
+    PARTICLE_RESTART = 'particle restart'
 
 
-_RES_SCAT_METHODS = ["dbrc", "rvs"]
+_RES_SCAT_METHODS = ['dbrc', 'rvs']
 
 
 class Settings:
@@ -190,7 +190,7 @@ class Settings:
         temperature within which cross sections may be used. If the method is
         'interpolation', 'tolerance' indicates the range of temperatures outside
         of the available cross section temperatures where cross sections will
-        evaluate to the nearer bound. The value for 'range' should be a pair a
+        evaluate to the nearer bound. The value for 'range' should be a pair of
         minimum and maximum temperatures which are used to indicate that cross
         sections be loaded at all temperatures within the range. 'multipole' is
         a boolean indicating whether or not the windowed multipole method should
@@ -245,7 +245,7 @@ class Settings:
         self._max_order = None
 
         # Source subelement
-        self._source = cv.CheckedList(Source, "source distributions")
+        self._source = cv.CheckedList(Source, 'source distributions')
 
         self._confidence_intervals = None
         self._electron_treatment = None
@@ -290,8 +290,7 @@ class Settings:
 
         self._resonance_scattering = {}
         self._volume_calculations = cv.CheckedList(
-            VolumeCalculation, "volume calculations"
-        )
+            VolumeCalculation, 'volume calculations')
 
         self._create_fission_neutrons = None
         self._delayed_photon_scaling = None
@@ -301,7 +300,7 @@ class Settings:
         self._event_based = None
         self._max_particles_in_flight = None
         self._write_initial_source = None
-        self._weight_windows = cv.CheckedList(WeightWindows, "weight windows")
+        self._weight_windows = cv.CheckedList(WeightWindows, 'weight windows')
         self._weight_windows_on = None
         self._max_splits = None
         self._max_tracks = None
@@ -499,109 +498,103 @@ class Settings:
 
     @run_mode.setter
     def run_mode(self, run_mode: str):
-        cv.check_value("run mode", run_mode, {x.value for x in RunMode})
+        cv.check_value('run mode', run_mode, {x.value for x in RunMode})
         for mode in RunMode:
             if mode.value == run_mode:
                 self._run_mode = mode
 
     @batches.setter
     def batches(self, batches: int):
-        cv.check_type("batches", batches, Integral)
-        cv.check_greater_than("batches", batches, 0)
+        cv.check_type('batches', batches, Integral)
+        cv.check_greater_than('batches', batches, 0)
         self._batches = batches
 
     @generations_per_batch.setter
     def generations_per_batch(self, generations_per_batch: int):
-        cv.check_type("generations per patch", generations_per_batch, Integral)
-        cv.check_greater_than("generations per batch", generations_per_batch, 0)
+        cv.check_type('generations per patch', generations_per_batch, Integral)
+        cv.check_greater_than('generations per batch', generations_per_batch, 0)
         self._generations_per_batch = generations_per_batch
 
     @inactive.setter
     def inactive(self, inactive: int):
-        cv.check_type("inactive batches", inactive, Integral)
-        cv.check_greater_than("inactive batches", inactive, 0, True)
+        cv.check_type('inactive batches', inactive, Integral)
+        cv.check_greater_than('inactive batches', inactive, 0, True)
         self._inactive = inactive
 
     @max_lost_particles.setter
     def max_lost_particles(self, max_lost_particles: int):
-        cv.check_type("max_lost_particles", max_lost_particles, Integral)
-        cv.check_greater_than("max_lost_particles", max_lost_particles, 0)
+        cv.check_type('max_lost_particles', max_lost_particles, Integral)
+        cv.check_greater_than('max_lost_particles', max_lost_particles, 0)
         self._max_lost_particles = max_lost_particles
 
     @rel_max_lost_particles.setter
     def rel_max_lost_particles(self, rel_max_lost_particles: float):
-        cv.check_type("rel_max_lost_particles", rel_max_lost_particles, Real)
-        cv.check_greater_than("rel_max_lost_particles", rel_max_lost_particles, 0)
-        cv.check_less_than("rel_max_lost_particles", rel_max_lost_particles, 1)
+        cv.check_type('rel_max_lost_particles', rel_max_lost_particles, Real)
+        cv.check_greater_than('rel_max_lost_particles', rel_max_lost_particles, 0)
+        cv.check_less_than('rel_max_lost_particles', rel_max_lost_particles, 1)
         self._rel_max_lost_particles = rel_max_lost_particles
 
     @particles.setter
     def particles(self, particles: int):
-        cv.check_type("particles", particles, Integral)
-        cv.check_greater_than("particles", particles, 0)
+        cv.check_type('particles', particles, Integral)
+        cv.check_greater_than('particles', particles, 0)
         self._particles = particles
 
     @keff_trigger.setter
     def keff_trigger(self, keff_trigger: dict):
         if not isinstance(keff_trigger, dict):
-            msg = (
-                f'Unable to set a trigger on keff from "{keff_trigger}" '
-                "which is not a Python dictionary"
-            )
+            msg = f'Unable to set a trigger on keff from "{keff_trigger}" ' \
+                  'which is not a Python dictionary'
             raise ValueError(msg)
 
-        elif "type" not in keff_trigger:
-            msg = (
-                f'Unable to set a trigger on keff from "{keff_trigger}" '
-                'which does not have a "type" key'
-            )
+        elif 'type' not in keff_trigger:
+            msg = f'Unable to set a trigger on keff from "{keff_trigger}" ' \
+                  'which does not have a "type" key'
             raise ValueError(msg)
 
-        elif keff_trigger["type"] not in ["variance", "std_dev", "rel_err"]:
-            msg = "Unable to set a trigger on keff with " 'type "{0}"'.format(
-                keff_trigger["type"]
-            )
+        elif keff_trigger['type'] not in ['variance', 'std_dev', 'rel_err']:
+            msg = 'Unable to set a trigger on keff with ' \
+                  'type "{0}"'.format(keff_trigger['type'])
             raise ValueError(msg)
 
-        elif "threshold" not in keff_trigger:
-            msg = (
-                f'Unable to set a trigger on keff from "{keff_trigger}" '
-                'which does not have a "threshold" key'
-            )
+        elif 'threshold' not in keff_trigger:
+            msg = f'Unable to set a trigger on keff from "{keff_trigger}" ' \
+                  'which does not have a "threshold" key'
             raise ValueError(msg)
 
-        elif not isinstance(keff_trigger["threshold"], Real):
-            msg = "Unable to set a trigger on keff with " 'threshold "{0}"'.format(
-                keff_trigger["threshold"]
-            )
+        elif not isinstance(keff_trigger['threshold'], Real):
+            msg = 'Unable to set a trigger on keff with ' \
+                  'threshold "{0}"'.format(keff_trigger['threshold'])
             raise ValueError(msg)
 
         self._keff_trigger = keff_trigger
 
     @energy_mode.setter
     def energy_mode(self, energy_mode: str):
-        cv.check_value("energy mode", energy_mode, ["continuous-energy", "multi-group"])
+        cv.check_value('energy mode', energy_mode,
+                    ['continuous-energy', 'multi-group'])
         self._energy_mode = energy_mode
 
     @max_order.setter
     def max_order(self, max_order: Optional[int]):
         if max_order is not None:
-            cv.check_type("maximum scattering order", max_order, Integral)
-            cv.check_greater_than("maximum scattering order", max_order, 0, True)
+            cv.check_type('maximum scattering order', max_order, Integral)
+            cv.check_greater_than('maximum scattering order', max_order, 0,
+                                  True)
         self._max_order = max_order
 
     @source.setter
     def source(self, source: Union[Source, typing.Iterable[Source]]):
         if not isinstance(source, MutableSequence):
             source = [source]
-        self._source = cv.CheckedList(Source, "source distributions", source)
+        self._source = cv.CheckedList(Source, 'source distributions', source)
 
     @output.setter
     def output(self, output: dict):
-        cv.check_type("output", output, Mapping)
+        cv.check_type('output', output, Mapping)
         for key, value in output.items():
-            cv.check_value("output key", key, ("summary", "tallies", "path"))
-            if key in ("summary", "tallies"):
+            cv.check_value('output key', key, ('summary', 'tallies', 'path'))
+            if key in ('summary', 'tallies'):
                 cv.check_type(f"output['{key}']", value, bool)
             else:
                 cv.check_type("output['path']", value, str)
@@ -609,257 +602,245 @@ class Settings:
 
     @verbosity.setter
     def verbosity(self, verbosity: int):
-        cv.check_type("verbosity", verbosity, Integral)
-        cv.check_greater_than("verbosity", verbosity, 1, True)
-        cv.check_less_than("verbosity", verbosity, 10, True)
+        cv.check_type('verbosity', verbosity, Integral)
+        cv.check_greater_than('verbosity', verbosity, 1, True)
+        cv.check_less_than('verbosity', verbosity, 10, True)
         self._verbosity = verbosity
 
     @sourcepoint.setter
     def sourcepoint(self, sourcepoint: dict):
-        cv.check_type("sourcepoint options", sourcepoint, Mapping)
+        cv.check_type('sourcepoint options', sourcepoint, Mapping)
         for key, value in sourcepoint.items():
-            if key == "batches":
-                cv.check_type("sourcepoint batches", value, Iterable, Integral)
+            if key == 'batches':
+                cv.check_type('sourcepoint batches', value, Iterable, Integral)
                 for batch in value:
-                    cv.check_greater_than("sourcepoint batch", batch, 0)
-            elif key == "separate":
-                cv.check_type("sourcepoint separate", value, bool)
-            elif key == "write":
-                cv.check_type("sourcepoint write", value, bool)
-            elif key == "overwrite":
-                cv.check_type("sourcepoint overwrite", value, bool)
+                    cv.check_greater_than('sourcepoint batch', batch, 0)
+            elif key == 'separate':
+                cv.check_type('sourcepoint separate', value, bool)
+            elif key == 'write':
+                cv.check_type('sourcepoint write', value, bool)
+            elif key == 'overwrite':
+                cv.check_type('sourcepoint overwrite', value, bool)
             else:
-                raise ValueError(
-                    f"Unknown key '{key}' encountered when "
-                    "setting sourcepoint options."
-                )
+                raise ValueError(f"Unknown key '{key}' encountered when "
+                                 "setting sourcepoint options.")
         self._sourcepoint = sourcepoint
 
     @statepoint.setter
     def statepoint(self, statepoint: dict):
-        cv.check_type("statepoint options", statepoint, Mapping)
+        cv.check_type('statepoint options', statepoint, Mapping)
         for key, value in statepoint.items():
-            if key == "batches":
-                cv.check_type("statepoint batches", value, Iterable, Integral)
+            if key == 'batches':
+                cv.check_type('statepoint batches', value, Iterable, Integral)
                 for batch in value:
-                    cv.check_greater_than("statepoint batch", batch, 0)
+                    cv.check_greater_than('statepoint batch', batch, 0)
             else:
-                raise ValueError(
-                    f"Unknown key '{key}' encountered when "
-                    "setting statepoint options."
-                )
+                raise ValueError(f"Unknown key '{key}' encountered when "
+                                 "setting statepoint options.")
         self._statepoint = statepoint
 
     @surf_source_read.setter
     def surf_source_read(self, surf_source_read: dict):
-        cv.check_type("surface source reading options", surf_source_read, Mapping)
+        cv.check_type('surface source reading options', surf_source_read, Mapping)
         for key, value in surf_source_read.items():
-            cv.check_value("surface source reading key", key, ("path"))
-            if key == "path":
-                cv.check_type("path to surface source file", value, str)
+            cv.check_value('surface source reading key', key,
+                           ('path'))
+            if key == 'path':
+                cv.check_type('path to surface source file', value, str)
         self._surf_source_read = surf_source_read
 
     @surf_source_write.setter
     def surf_source_write(self, surf_source_write: dict):
-        cv.check_type("surface source writing options", surf_source_write, Mapping)
+        cv.check_type('surface source writing options', surf_source_write, Mapping)
         for key, value in surf_source_write.items():
-            cv.check_value(
-                "surface source writing key", key, ("surface_ids", "max_particles")
-            )
-            if key == "surface_ids":
-                cv.check_type(
-                    "surface ids for source banking", value, Iterable, Integral
-                )
+            cv.check_value('surface source writing key', key,
+                           ('surface_ids', 'max_particles'))
+            if key == 'surface_ids':
+                cv.check_type('surface ids for source banking', value,
+                              Iterable, Integral)
                 for surf_id in value:
-                    cv.check_greater_than("surface id for source banking", surf_id, 0)
-            elif key == "max_particles":
-                cv.check_type(
-                    "maximum particle banks on surfaces per process", value, Integral
-                )
-                cv.check_greater_than(
-                    "maximum particle banks on surfaces per process", value, 0
-                )
+                    cv.check_greater_than('surface id for source banking',
+                                          surf_id, 0)
+            elif key == 'max_particles':
+                cv.check_type('maximum particle banks on surfaces per process',
+                              value, Integral)
+                cv.check_greater_than('maximum particle banks on surfaces per process',
+                                      value, 0)
         self._surf_source_write = surf_source_write
 
     @confidence_intervals.setter
     def confidence_intervals(self, confidence_intervals: bool):
-        cv.check_type("confidence interval", confidence_intervals, bool)
+        cv.check_type('confidence interval', confidence_intervals, bool)
         self._confidence_intervals = confidence_intervals
 
     @electron_treatment.setter
     def electron_treatment(self, electron_treatment: str):
-        cv.check_value("electron treatment", electron_treatment, ["led", "ttb"])
+        cv.check_value('electron treatment', electron_treatment, ['led', 'ttb'])
         self._electron_treatment = electron_treatment
 
     @photon_transport.setter
     def photon_transport(self, photon_transport: bool):
-        cv.check_type("photon transport", photon_transport, bool)
+        cv.check_type('photon transport', photon_transport, bool)
         self._photon_transport = photon_transport
 
     @ptables.setter
     def ptables(self, ptables: bool):
-        cv.check_type("probability tables", ptables, bool)
+        cv.check_type('probability tables', ptables, bool)
         self._ptables = ptables
 
     @seed.setter
     def seed(self, seed: int):
-        cv.check_type("random number generator seed", seed, Integral)
-        cv.check_greater_than("random number generator seed", seed, 0)
+        cv.check_type('random number generator seed', seed, Integral)
+        cv.check_greater_than('random number generator seed', seed, 0)
         self._seed = seed
 
     @survival_biasing.setter
     def survival_biasing(self, survival_biasing: bool):
-        cv.check_type("survival biasing", survival_biasing, bool)
+        cv.check_type('survival biasing', survival_biasing, bool)
         self._survival_biasing = survival_biasing
 
     @cutoff.setter
     def cutoff(self, cutoff: dict):
         if not isinstance(cutoff, Mapping):
-            msg = (
-                f'Unable to set cutoff from "{cutoff}" which is not a '
-                "Python dictionary"
-            )
+            msg = f'Unable to set cutoff from "{cutoff}" which is not a '\
+                  'Python dictionary'
             raise ValueError(msg)
         for key in cutoff:
-            if key == "weight":
-                cv.check_type("weight cutoff", cutoff[key], Real)
-                cv.check_greater_than("weight cutoff", cutoff[key], 0.0)
-            elif key == "weight_avg":
-                cv.check_type("average survival weight", cutoff[key], Real)
-                cv.check_greater_than("average survival weight", cutoff[key], 0.0)
-            elif key in [
-                "energy_neutron",
-                "energy_photon",
-                "energy_electron",
-                "energy_positron",
-            ]:
-                cv.check_type("energy cutoff", cutoff[key], Real)
-                cv.check_greater_than("energy cutoff", cutoff[key], 0.0)
+            if key == 'weight':
+                cv.check_type('weight cutoff', cutoff[key], Real)
+                cv.check_greater_than('weight cutoff', cutoff[key], 0.0)
+            elif key == 'weight_avg':
+                cv.check_type('average survival weight', cutoff[key], Real)
+                cv.check_greater_than('average survival weight',
+                                      cutoff[key], 0.0)
+            elif key in ['energy_neutron', 'energy_photon', 'energy_electron',
+                         'energy_positron']:
+                cv.check_type('energy cutoff', cutoff[key], Real)
+                cv.check_greater_than('energy cutoff', cutoff[key], 0.0)
             else:
-                msg = (
-                    f'Unable to set cutoff to "{key}" which is unsupported ' "by OpenMC"
-                )
+                msg = f'Unable to set cutoff to "{key}" which is unsupported ' \
+                      'by OpenMC'
 
         self._cutoff = cutoff
 
     @entropy_mesh.setter
     def entropy_mesh(self, entropy: RegularMesh):
-        cv.check_type("entropy mesh", entropy, RegularMesh)
+        cv.check_type('entropy mesh', entropy, RegularMesh)
         self._entropy_mesh = entropy
 
     @trigger_active.setter
     def trigger_active(self, trigger_active: bool):
-        cv.check_type("trigger active", trigger_active, bool)
+        cv.check_type('trigger active', trigger_active, bool)
         self._trigger_active = trigger_active
 
     @trigger_max_batches.setter
     def trigger_max_batches(self, trigger_max_batches: int):
-        cv.check_type("trigger maximum batches", trigger_max_batches, Integral)
-        cv.check_greater_than("trigger maximum batches", trigger_max_batches, 0)
+        cv.check_type('trigger maximum batches', trigger_max_batches, Integral)
+        cv.check_greater_than('trigger maximum batches', trigger_max_batches, 0)
         self._trigger_max_batches = trigger_max_batches
 
     @trigger_batch_interval.setter
     def trigger_batch_interval(self, trigger_batch_interval: int):
-        cv.check_type("trigger batch interval", trigger_batch_interval, Integral)
-        cv.check_greater_than("trigger batch interval", trigger_batch_interval, 0)
+        cv.check_type('trigger batch interval', trigger_batch_interval, Integral)
+        cv.check_greater_than('trigger batch interval', trigger_batch_interval, 0)
         self._trigger_batch_interval = trigger_batch_interval
 
     @no_reduce.setter
     def no_reduce(self, no_reduce: bool):
-        cv.check_type("no reduction option", no_reduce, bool)
+        cv.check_type('no reduction option', no_reduce, bool)
         self._no_reduce = no_reduce
 
     @tabular_legendre.setter
     def tabular_legendre(self, tabular_legendre: dict):
-        cv.check_type("tabular_legendre settings", tabular_legendre, Mapping)
+        cv.check_type('tabular_legendre settings', tabular_legendre, Mapping)
         for key, value in tabular_legendre.items():
-            cv.check_value("tabular_legendre key", key, ["enable", "num_points"])
-            if key == "enable":
-                cv.check_type("enable tabular_legendre", value, bool)
-            elif key == "num_points":
-                cv.check_type("num_points tabular_legendre", value, Integral)
-                cv.check_greater_than("num_points tabular_legendre", value, 0)
+            cv.check_value('tabular_legendre key', key,
+                           ['enable', 'num_points'])
+            if key == 'enable':
+                cv.check_type('enable tabular_legendre', value, bool)
+            elif key == 'num_points':
+                cv.check_type('num_points tabular_legendre', value, Integral)
+                cv.check_greater_than('num_points tabular_legendre', value, 0)
         self._tabular_legendre = tabular_legendre
 
     @temperature.setter
     def temperature(self, temperature: dict):
 
-        cv.check_type("temperature settings", temperature, Mapping)
+        cv.check_type('temperature settings', temperature, Mapping)
         for key, value in temperature.items():
-            cv.check_value(
-                "temperature key",
-                key,
-                ["default", "method", "tolerance", "multipole", "range"],
-            )
-            if key == "default":
-                cv.check_type("default temperature", value, Real)
-            elif key == "method":
-                cv.check_value(
-                    "temperature method", value, ["nearest", "interpolation"]
-                )
-            elif key == "tolerance":
-                cv.check_type("temperature tolerance", value, Real)
-            elif key == "multipole":
-                cv.check_type("temperature multipole", value, bool)
-            elif key == "range":
-                cv.check_length("temperature range", value, 2)
+            cv.check_value('temperature key', key,
+                           ['default', 'method', 'tolerance', 'multipole',
+                            'range'])
+            if key == 'default':
+                cv.check_type('default temperature', value, Real)
+            elif key == 'method':
+                cv.check_value('temperature method', value,
+                               ['nearest', 'interpolation'])
+            elif key == 'tolerance':
+                cv.check_type('temperature tolerance', value, Real)
+            elif key == 'multipole':
+                cv.check_type('temperature multipole', value, bool)
+            elif key == 'range':
+                cv.check_length('temperature range', value, 2)
                 for T in value:
-                    cv.check_type("temperature", T, Real)
+                    cv.check_type('temperature', T, Real)
 
         self._temperature = temperature
 
     @trace.setter
     def trace(self, trace: Iterable):
-        cv.check_type("trace", trace, Iterable, Integral)
-        cv.check_length("trace", trace, 3)
-        cv.check_greater_than("trace batch", trace[0], 0)
-        cv.check_greater_than("trace generation", trace[1], 0)
-        cv.check_greater_than("trace particle", trace[2], 0)
+        cv.check_type('trace', trace, Iterable, Integral)
+        cv.check_length('trace', trace, 3)
+        cv.check_greater_than('trace batch', trace[0], 0)
+        cv.check_greater_than('trace generation', trace[1], 0)
+        cv.check_greater_than('trace particle', trace[2], 0)
         self._trace = trace
 
     @track.setter
     def track(self, track: typing.Iterable[typing.Iterable[int]]):
-        cv.check_type("track", track, Iterable)
+        cv.check_type('track', track, Iterable)
         for t in track:
             if len(t) != 3:
                 msg = f'Unable to set the track to "{t}" since its length is not 3'
                 raise ValueError(msg)
-            cv.check_greater_than("track batch", t[0], 0)
-            cv.check_greater_than("track generation", t[1], 0)
-            cv.check_greater_than("track particle", t[2], 0)
-            cv.check_type("track batch", t[0], Integral)
-            cv.check_type("track generation", t[1], Integral)
-            cv.check_type("track particle", t[2], Integral)
+            cv.check_greater_than('track batch', t[0], 0)
+            cv.check_greater_than('track generation', t[1], 0)
+            cv.check_greater_than('track particle', t[2], 0)
+            cv.check_type('track batch', t[0], Integral)
+            cv.check_type('track generation', t[1], Integral)
+            cv.check_type('track particle', t[2], Integral)
         self._track = track
 
     @ufs_mesh.setter
     def ufs_mesh(self, ufs_mesh: RegularMesh):
-        cv.check_type("UFS mesh", ufs_mesh, RegularMesh)
-        cv.check_length("UFS mesh dimension", ufs_mesh.dimension, 3)
-        cv.check_length("UFS mesh lower-left corner", ufs_mesh.lower_left, 3)
-        cv.check_length("UFS mesh upper-right corner", ufs_mesh.upper_right, 3)
+        cv.check_type('UFS mesh', ufs_mesh, RegularMesh)
+        cv.check_length('UFS mesh dimension', ufs_mesh.dimension, 3)
+        cv.check_length('UFS mesh lower-left corner', ufs_mesh.lower_left, 3)
+        cv.check_length('UFS mesh upper-right corner', ufs_mesh.upper_right, 3)
         self._ufs_mesh = ufs_mesh
 
     @resonance_scattering.setter
     def resonance_scattering(self, res: dict):
-        cv.check_type("resonance scattering settings", res, Mapping)
-        keys = ("enable", "method", "energy_min", "energy_max", "nuclides")
+        cv.check_type('resonance scattering settings', res, Mapping)
+        keys = ('enable', 'method', 'energy_min', 'energy_max', 'nuclides')
         for key, value in res.items():
-            cv.check_value("resonance scattering dictionary key", key, keys)
-            if key == "enable":
-                cv.check_type("resonance scattering enable", value, bool)
-            elif key == "method":
-                cv.check_value("resonance scattering method", value, _RES_SCAT_METHODS)
-            elif key == "energy_min":
-                name = "resonance scattering minimum energy"
+            cv.check_value('resonance scattering dictionary key', key, keys)
+            if key == 'enable':
+                cv.check_type('resonance scattering enable', value, bool)
+            elif key == 'method':
+                cv.check_value('resonance scattering method', value,
+                               _RES_SCAT_METHODS)
+            elif key == 'energy_min':
+                name = 'resonance scattering minimum energy'
                 cv.check_type(name, value, Real)
                 cv.check_greater_than(name, value, 0)
-            elif key == "energy_max":
-                name = "resonance scattering minimum energy"
+            elif key == 'energy_max':
+                name = 'resonance scattering minimum energy'
                 cv.check_type(name, value, Real)
                 cv.check_greater_than(name, value, 0)
-            elif key == "nuclides":
-                cv.check_type("resonance scattering nuclides", value, Iterable, str)
+            elif key == 'nuclides':
+                cv.check_type('resonance scattering nuclides', value,
+                              Iterable, str)
         self._resonance_scattering = res
 
     @volume_calculations.setter
@@ -869,69 +850,67 @@ class Settings:
         if not isinstance(vol_calcs, MutableSequence):
             vol_calcs = [vol_calcs]
         self._volume_calculations = cv.CheckedList(
-            VolumeCalculation, "stochastic volume calculations", vol_calcs
-        )
+            VolumeCalculation, 'stochastic volume calculations', vol_calcs)
 
     @create_fission_neutrons.setter
     def create_fission_neutrons(self, create_fission_neutrons: bool):
-        cv.check_type("Whether create fission neutrons", create_fission_neutrons, bool)
+        cv.check_type('Whether create fission neutrons',
+                      create_fission_neutrons, bool)
         self._create_fission_neutrons = create_fission_neutrons
 
     @delayed_photon_scaling.setter
     def delayed_photon_scaling(self, value: bool):
-        cv.check_type("delayed photon scaling", value, bool)
+        cv.check_type('delayed photon scaling', value, bool)
         self._delayed_photon_scaling = value
 
     @event_based.setter
     def event_based(self, value: bool):
-        cv.check_type("event based", value, bool)
+        cv.check_type('event based', value, bool)
         self._event_based = value
 
     @max_particles_in_flight.setter
     def max_particles_in_flight(self, value: int):
-        cv.check_type("max particles in flight", value, Integral)
-        cv.check_greater_than("max particles in flight", value, 0)
+        cv.check_type('max particles in flight', value, Integral)
+        cv.check_greater_than('max particles in flight', value, 0)
         self._max_particles_in_flight = value
 
     @material_cell_offsets.setter
     def material_cell_offsets(self, value: bool):
-        cv.check_type("material cell offsets", value, bool)
+        cv.check_type('material cell offsets', value, bool)
         self._material_cell_offsets = value
 
     @log_grid_bins.setter
     def log_grid_bins(self, log_grid_bins: int):
-        cv.check_type("log grid bins", log_grid_bins, Real)
-        cv.check_greater_than("log grid bins", log_grid_bins, 0)
+        cv.check_type('log grid bins', log_grid_bins, Real)
+        cv.check_greater_than('log grid bins', log_grid_bins, 0)
         self._log_grid_bins = log_grid_bins
 
     @write_initial_source.setter
     def write_initial_source(self, value: bool):
-        cv.check_type("write initial source", value, bool)
+        cv.check_type('write initial source', value, bool)
         self._write_initial_source = value
 
     @weight_windows.setter
-    def weight_windows(
-        self, value: Union[WeightWindows, typing.Iterable[WeightWindows]]
-    ):
+    def weight_windows(self, value: Union[WeightWindows, typing.Iterable[WeightWindows]]):
         if not isinstance(value, MutableSequence):
             value = [value]
-        self._weight_windows = cv.CheckedList(WeightWindows, "weight windows", value)
+        self._weight_windows = cv.CheckedList(WeightWindows, 'weight windows', value)
 
     @weight_windows_on.setter
     def weight_windows_on(self, value):
-        cv.check_type("weight windows on", value, bool)
+        cv.check_type('weight windows on', value, bool)
         self._weight_windows_on = value
 
     @max_splits.setter
     def max_splits(self, value: int):
-        cv.check_type("maximum particle splits", value, Integral)
-        cv.check_greater_than("max particle splits", value, 0)
+        cv.check_type('maximum particle splits', value, Integral)
+        cv.check_greater_than('max particle splits', value, 0)
         self._max_splits = value
 
     @max_tracks.setter
     def max_tracks(self, value: int):
-        cv.check_type("maximum particle tracks", value, Integral)
-        cv.check_greater_than("maximum particle tracks", value, 0, True)
+        cv.check_type('maximum particle tracks', value, Integral)
+        cv.check_greater_than('maximum particle tracks', value, 0, True)
         self._max_tracks = value
 
     def _create_run_mode_subelement(self, root):
@@ -998,7 +977,7 @@ class Settings:
             element = ET.SubElement(root, "output")
             for key, value in sorted(self._output.items()):
                 subelement = ET.SubElement(element, key)
-                if key in ("summary", "tallies"):
+                if key in ('summary', 'tallies'):
                     subelement.text = str(value).lower()
                 else:
                     subelement.text = value
@@ -1011,49 +990,50 @@ class Settings:
     def _create_statepoint_subelement(self, root):
         if self._statepoint:
             element = ET.SubElement(root, "state_point")
-            if "batches" in self._statepoint:
+            if 'batches' in self._statepoint:
                 subelement = ET.SubElement(element, "batches")
-                subelement.text = " ".join(str(x) for x in self._statepoint["batches"])
+                subelement.text = ' '.join(
+                    str(x) for x in self._statepoint['batches'])
 
     def _create_sourcepoint_subelement(self, root):
         if self._sourcepoint:
             element = ET.SubElement(root, "source_point")
 
-            if "batches" in self._sourcepoint:
+            if 'batches' in self._sourcepoint:
                 subelement = ET.SubElement(element, "batches")
-                subelement.text = " ".join(str(x) for x in self._sourcepoint["batches"])
+                subelement.text = ' '.join(
+                    str(x) for x in self._sourcepoint['batches'])
 
-            if "separate" in self._sourcepoint:
+            if 'separate' in self._sourcepoint:
                 subelement = ET.SubElement(element, "separate")
-                subelement.text = str(self._sourcepoint["separate"]).lower()
+                subelement.text = str(self._sourcepoint['separate']).lower()
 
-            if "write" in self._sourcepoint:
+            if 'write' in self._sourcepoint:
                 subelement = ET.SubElement(element, "write")
-                subelement.text = str(self._sourcepoint["write"]).lower()
+                subelement.text = str(self._sourcepoint['write']).lower()
 
             # Overwrite latest subelement
-            if "overwrite" in self._sourcepoint:
+            if 'overwrite' in self._sourcepoint:
                 subelement = ET.SubElement(element, "overwrite_latest")
-                subelement.text = str(self._sourcepoint["overwrite"]).lower()
+                subelement.text = str(self._sourcepoint['overwrite']).lower()
 
     def _create_surf_source_read_subelement(self, root):
         if self._surf_source_read:
             element = ET.SubElement(root, "surf_source_read")
-            if "path" in self._surf_source_read:
+            if 'path' in self._surf_source_read:
                 subelement = ET.SubElement(element, "path")
-                subelement.text = self._surf_source_read["path"]
+                subelement.text = self._surf_source_read['path']
 
     def _create_surf_source_write_subelement(self, root):
         if self._surf_source_write:
             element = ET.SubElement(root, "surf_source_write")
-            if "surface_ids" in self._surf_source_write:
+            if 'surface_ids' in self._surf_source_write:
                 subelement = ET.SubElement(element, "surface_ids")
-                subelement.text = " ".join(
-                    str(x) for x in self._surf_source_write["surface_ids"]
-                )
-            if "max_particles" in self._surf_source_write:
+                subelement.text = ' '.join(
+                    str(x) for x in self._surf_source_write['surface_ids'])
+            if 'max_particles' in self._surf_source_write:
                 subelement = ET.SubElement(element, "max_particles")
-                subelement.text = str(self._surf_source_write["max_particles"])
+                subelement.text = str(self._surf_source_write['max_particles'])
 
     def _create_confidence_intervals(self, root):
         if self._confidence_intervals is not None:
@@ -1097,14 +1077,12 @@ class Settings:
             # use default heuristic for entropy mesh if not set by user
             if self.entropy_mesh.dimension is None:
                 if self.particles is None:
-                    raise RuntimeError(
-                        "Number of particles must be set in order to "
-                        "use entropy mesh dimension heuristic"
-                    )
+                    raise RuntimeError("Number of particles must be set in order to " \
+                      "use entropy mesh dimension heuristic")
                 else:
-                    n = ceil((self.particles / 20.0) ** (1.0 / 3.0))
+                    n = ceil((self.particles / 20.0)**(1.0 / 3.0))
                     d = len(self.entropy_mesh.lower_left)
-                    self.entropy_mesh.dimension = (n,) * d
+                    self.entropy_mesh.dimension = (n,)*d
 
             # See if a <mesh> element already exists -- if not, add it
             path = f"./mesh[@id='{self.entropy_mesh.id}']"
@@ -1137,10 +1115,10 @@ class Settings:
         if self.tabular_legendre:
             element = ET.SubElement(root, "tabular_legendre")
             subelement = ET.SubElement(element, "enable")
-            subelement.text = str(self._tabular_legendre["enable"]).lower()
-            if "num_points" in self._tabular_legendre:
+            subelement.text = str(self._tabular_legendre['enable']).lower()
+            if 'num_points' in self._tabular_legendre:
                 subelement = ET.SubElement(element, "num_points")
-                subelement.text = str(self._tabular_legendre["num_points"])
+                subelement.text = str(self._tabular_legendre['num_points'])
 
     def _create_temperature_subelements(self, root):
         if self.temperature:
@@ -1148,20 +1126,20 @@ class Settings:
                 element = ET.SubElement(root, f"temperature_{key}")
                 if isinstance(value, bool):
                     element.text = str(value).lower()
-                elif key == "range":
-                    element.text = " ".join(str(T) for T in value)
+                elif key == 'range':
+                    element.text = ' '.join(str(T) for T in value)
                 else:
                     element.text = str(value)
 
     def _create_trace_subelement(self, root):
         if self._trace is not None:
             element = ET.SubElement(root, "trace")
-            element.text = " ".join(map(str, self._trace))
+            element.text = ' '.join(map(str, self._trace))
 
     def _create_track_subelement(self, root):
         if self._track is not None:
             element = ET.SubElement(root, "track")
-            element.text = " ".join(map(str, itertools.chain(*self._track)))
+            element.text = ' '.join(map(str, itertools.chain(*self._track)))
 
     def _create_ufs_mesh_subelement(self, root):
         if self.ufs_mesh is not None:
@@ -1176,22 +1154,22 @@ class Settings:
     def _create_resonance_scattering_subelement(self, root):
         res = self.resonance_scattering
         if res:
-            elem = ET.SubElement(root, "resonance_scattering")
-            if "enable" in res:
-                subelem = ET.SubElement(elem, "enable")
-                subelem.text = str(res["enable"]).lower()
-            if "method" in res:
-                subelem = ET.SubElement(elem, "method")
-                subelem.text = res["method"]
-            if "energy_min" in res:
-                subelem = ET.SubElement(elem, "energy_min")
-                subelem.text = str(res["energy_min"])
-            if "energy_max" in res:
-                subelem = ET.SubElement(elem, "energy_max")
-                subelem.text = str(res["energy_max"])
-            if "nuclides" in res:
-                subelem = ET.SubElement(elem, "nuclides")
-                subelem.text = " ".join(res["nuclides"])
+            elem = ET.SubElement(root, 'resonance_scattering')
+            if 'enable' in res:
+                subelem = ET.SubElement(elem, 'enable')
+                subelem.text = str(res['enable']).lower()
+            if 'method' in res:
+                subelem = ET.SubElement(elem, 'method')
+                subelem.text = res['method']
+            if 'energy_min' in res:
+                subelem = ET.SubElement(elem, 'energy_min')
+                subelem.text = str(res['energy_min'])
+            if 'energy_max' in res:
+                subelem = ET.SubElement(elem, 'energy_max')
+                subelem.text = str(res['energy_max'])
+            if 'nuclides' in res:
+                subelem = ET.SubElement(elem, 'nuclides')
+                subelem.text = ' '.join(res['nuclides'])
 
     def _create_create_fission_neutrons_subelement(self, root):
         if self._create_fission_neutrons is not None:
@@ -1253,7 +1231,7 @@ class Settings:
             elem.text = str(self._max_tracks)
 
     def _eigenvalue_from_xml_element(self, root):
-        elem = root.find("eigenvalue")
+        elem = root.find('eigenvalue')
         if elem is not None:
             self._run_mode_from_xml_element(elem)
             self._particles_from_xml_element(elem)
@@ -1264,168 +1242,161 @@ class Settings:
             self._generations_per_batch_from_xml_element(elem)
 
     def _run_mode_from_xml_element(self, root):
-        text = get_text(root, "run_mode")
+        text = get_text(root, 'run_mode')
         if text is not None:
             self.run_mode = text
 
     def _particles_from_xml_element(self, root):
-        text = get_text(root, "particles")
+        text = get_text(root, 'particles')
         if text is not None:
             self.particles = int(text)
 
     def _batches_from_xml_element(self, root):
-        text = get_text(root, "batches")
+        text = get_text(root, 'batches')
         if text is not None:
             self.batches = int(text)
 
     def _inactive_from_xml_element(self, root):
-        text = get_text(root, "inactive")
+        text = get_text(root, 'inactive')
         if text is not None:
             self.inactive = int(text)
 
     def _max_lost_particles_from_xml_element(self, root):
-        text = get_text(root, "max_lost_particles")
+        text = get_text(root, 'max_lost_particles')
         if text is not None:
             self.max_lost_particles = int(text)
 
     def _rel_max_lost_particles_from_xml_element(self, root):
-        text = get_text(root, "rel_max_lost_particles")
+        text = get_text(root, 'rel_max_lost_particles')
         if text is not None:
             self.rel_max_lost_particles = float(text)
 
     def _generations_per_batch_from_xml_element(self, root):
-        text = get_text(root, "generations_per_batch")
+        text = get_text(root, 'generations_per_batch')
         if text is not None:
             self.generations_per_batch = int(text)
 
     def _keff_trigger_from_xml_element(self, root):
-        elem = root.find("keff_trigger")
+        elem = root.find('keff_trigger')
         if elem is not None:
-            trigger = get_text(elem, "type")
-            threshold = float(get_text(elem, "threshold"))
-            self.keff_trigger = {"type": trigger, "threshold": threshold}
+            trigger = get_text(elem, 'type')
+            threshold = float(get_text(elem, 'threshold'))
+            self.keff_trigger = {'type': trigger, 'threshold': threshold}
 
     def _source_from_xml_element(self, root):
-        for elem in root.findall("source"):
+        for elem in root.findall('source'):
             self.source.append(Source.from_xml_element(elem))
 
     def _volume_calcs_from_xml_element(self, root):
         volume_elems = root.findall("volume_calc")
         if volume_elems:
-            self.volume_calculations = [
-                VolumeCalculation.from_xml_element(elem) for elem in volume_elems
-            ]
+            self.volume_calculations = [VolumeCalculation.from_xml_element(elem)
+                                        for elem in volume_elems]
 
     def _output_from_xml_element(self, root):
-        elem = root.find("output")
+        elem = root.find('output')
         if elem is not None:
             self.output = {}
-            for key in ("summary", "tallies", "path"):
+            for key in ('summary', 'tallies', 'path'):
                 value = get_text(elem, key)
                 if value is not None:
-                    if key in ("summary", "tallies"):
-                        value = value in ("true", "1")
+                    if key in ('summary', 'tallies'):
+                        value = value in ('true', '1')
                     self.output[key] = value
 
     def _statepoint_from_xml_element(self, root):
-        elem = root.find("state_point")
+        elem = root.find('state_point')
         if elem is not None:
-            text = get_text(elem, "batches")
+            text = get_text(elem, 'batches')
             if text is not None:
-                self.statepoint["batches"] = [int(x) for x in text.split()]
+                self.statepoint['batches'] = [int(x) for x in text.split()]
 
     def _sourcepoint_from_xml_element(self, root):
-        elem = root.find("source_point")
+        elem = root.find('source_point')
         if elem is not None:
-            for key in ("separate", "write", "overwrite_latest", "batches"):
+            for key in ('separate', 'write', 'overwrite_latest', 'batches'):
                 value = get_text(elem, key)
                 if value is not None:
-                    if key in ("separate", "write"):
-                        value = value in ("true", "1")
-                    elif key == "overwrite_latest":
-                        value = value in ("true", "1")
-                        key = "overwrite"
+                    if key in ('separate', 'write'):
+                        value = value in ('true', '1')
+                    elif key == 'overwrite_latest':
+                        value = value in ('true', '1')
+                        key = 'overwrite'
                     else:
                         value = [int(x) for x in value.split()]
                     self.sourcepoint[key] = value
 
     def _surf_source_read_from_xml_element(self, root):
-        elem = root.find("surf_source_read")
+        elem = root.find('surf_source_read')
         if elem is not None:
-            value = get_text(elem, "path")
+            value = get_text(elem, 'path')
             if value is not None:
-                self.surf_source_read["path"] = value
+                self.surf_source_read['path'] = value
 
     def _surf_source_write_from_xml_element(self, root):
-        elem = root.find("surf_source_write")
+        elem = root.find('surf_source_write')
         if elem is not None:
-            for key in ("surface_ids", "max_particles"):
+            for key in ('surface_ids', 'max_particles'):
                 value = get_text(elem, key)
                 if value is not None:
-                    if key == "surface_ids":
+                    if key == 'surface_ids':
                         value = [int(x) for x in value.split()]
-                    elif key in ("max_particles"):
+                    elif key in ('max_particles'):
                         value = int(value)
                     self.surf_source_write[key] = value
 
     def _confidence_intervals_from_xml_element(self, root):
-        text = get_text(root, "confidence_intervals")
+        text = get_text(root, 'confidence_intervals')
         if text is not None:
-            self.confidence_intervals = text in ("true", "1")
+            self.confidence_intervals = text in ('true', '1')
 
     def _electron_treatment_from_xml_element(self, root):
-        text = get_text(root, "electron_treatment")
+        text = get_text(root, 'electron_treatment')
         if text is not None:
             self.electron_treatment = text
 
     def _energy_mode_from_xml_element(self, root):
-        text = get_text(root, "energy_mode")
+        text = get_text(root, 'energy_mode')
         if text is not None:
             self.energy_mode = text
 
     def _max_order_from_xml_element(self, root):
-        text = get_text(root, "max_order")
+        text = get_text(root, 'max_order')
         if text is not None:
             self.max_order = int(text)
 
     def _photon_transport_from_xml_element(self, root):
-        text = get_text(root, "photon_transport")
+        text = get_text(root, 'photon_transport')
         if text is not None:
-            self.photon_transport = text in ("true", "1")
+            self.photon_transport = text in ('true', '1')
 
     def _ptables_from_xml_element(self, root):
-        text = get_text(root, "ptables")
+        text = get_text(root, 'ptables')
         if text is not None:
-            self.ptables = text in ("true", "1")
+            self.ptables = text in ('true', '1')
 
     def _seed_from_xml_element(self, root):
-        text = get_text(root, "seed")
+        text = get_text(root, 'seed')
         if text is not None:
             self.seed = int(text)
 
     def _survival_biasing_from_xml_element(self, root):
-        text = get_text(root, "survival_biasing")
+        text = get_text(root, 'survival_biasing')
         if text is not None:
-            self.survival_biasing = text in ("true", "1")
+            self.survival_biasing = text in ('true', '1')
 
     def _cutoff_from_xml_element(self, root):
-        elem = root.find("cutoff")
+        elem = root.find('cutoff')
         if elem is not None:
             self.cutoff = {}
-            for key in (
-                "energy_neutron",
-                "energy_photon",
-                "energy_electron",
-                "energy_positron",
-                "weight",
-                "weight_avg",
-            ):
+            for key in ('energy_neutron', 'energy_photon', 'energy_electron',
+                        'energy_positron', 'weight', 'weight_avg'):
                 value = get_text(elem, key)
                 if value is not None:
                     self.cutoff[key] = float(value)
 
     def _entropy_mesh_from_xml_element(self, root):
-        text = get_text(root, "entropy_mesh")
+        text = get_text(root, 'entropy_mesh')
         if text is not None:
             path = f"./mesh[@id='{int(text)}']"
             elem = root.find(path)
@@ -1433,65 +1404,65 @@ class Settings:
                 self.entropy_mesh = RegularMesh.from_xml_element(elem)
 
     def _trigger_from_xml_element(self, root):
-        elem = root.find("trigger")
+        elem = root.find('trigger')
         if elem is not None:
-            self.trigger_active = get_text(elem, "active") in ("true", "1")
-            text = get_text(elem, "max_batches")
+            self.trigger_active = get_text(elem, 'active') in ('true', '1')
+            text = get_text(elem, 'max_batches')
             if text is not None:
                 self.trigger_max_batches = int(text)
-            text = get_text(elem, "batch_interval")
+            text = get_text(elem, 'batch_interval')
             if text is not None:
                 self.trigger_batch_interval = int(text)
 
     def _no_reduce_from_xml_element(self, root):
-        text = get_text(root, "no_reduce")
+        text = get_text(root, 'no_reduce')
         if text is not None:
-            self.no_reduce = text in ("true", "1")
+            self.no_reduce = text in ('true', '1')
 
     def _verbosity_from_xml_element(self, root):
-        text = get_text(root, "verbosity")
+        text = get_text(root, 'verbosity')
         if text is not None:
             self.verbosity = int(text)
 
     def _tabular_legendre_from_xml_element(self, root):
-        elem = root.find("tabular_legendre")
+        elem = root.find('tabular_legendre')
         if elem is not None:
-            text = get_text(elem, "enable")
-            self.tabular_legendre["enable"] = text in ("true", "1")
-            text = get_text(elem, "num_points")
+            text = get_text(elem, 'enable')
+            self.tabular_legendre['enable'] = text in ('true', '1')
+            text = get_text(elem, 'num_points')
             if text is not None:
-                self.tabular_legendre["num_points"] = int(text)
+                self.tabular_legendre['num_points'] = int(text)
 
     def _temperature_from_xml_element(self, root):
-        text = get_text(root, "temperature_default")
+        text = get_text(root, 'temperature_default')
         if text is not None:
-            self.temperature["default"] = float(text)
-        text = get_text(root, "temperature_tolerance")
+            self.temperature['default'] = float(text)
+        text = get_text(root, 'temperature_tolerance')
         if text is not None:
-            self.temperature["tolerance"] = float(text)
-        text = get_text(root, "temperature_method")
+            self.temperature['tolerance'] = float(text)
+        text = get_text(root, 'temperature_method')
         if text is not None:
-            self.temperature["method"] = text
-        text = get_text(root, "temperature_range")
+            self.temperature['method'] = text
+        text = get_text(root, 'temperature_range')
         if text is not None:
-            self.temperature["range"] = [float(x) for x in text.split()]
-        text = get_text(root, "temperature_multipole")
+            self.temperature['range'] = [float(x) for x in text.split()]
+        text = get_text(root, 'temperature_multipole')
         if text is not None:
-            self.temperature["multipole"] = text in ("true", "1")
+            self.temperature['multipole'] = text in ('true', '1')
 
     def _trace_from_xml_element(self, root):
-        text = get_text(root, "trace")
+        text = get_text(root, 'trace')
         if text is not None:
             self.trace = [int(x) for x in text.split()]
 
     def _track_from_xml_element(self, root):
-        text = get_text(root, "track")
+        text = get_text(root, 'track')
         if text is not None:
             values = [int(x) for x in text.split()]
             self.track = list(zip(values[::3], values[1::3], values[2::3]))
 
     def _ufs_mesh_from_xml_element(self, root):
-        text = get_text(root, "ufs_mesh")
+        text = get_text(root, 'ufs_mesh')
         if text is not None:
             path = f"./mesh[@id='{int(text)}']"
             elem = root.find(path)
@@ -1499,82 +1470,80 @@ class Settings:
                 self.ufs_mesh = RegularMesh.from_xml_element(elem)
 
     def _resonance_scattering_from_xml_element(self, root):
-        elem = root.find("resonance_scattering")
+        elem = root.find('resonance_scattering')
         if elem is not None:
-            keys = ("enable", "method", "energy_min", "energy_max", "nuclides")
+            keys = ('enable', 'method', 'energy_min', 'energy_max', 'nuclides')
             for key in keys:
                 value = get_text(elem, key)
                 if value is not None:
-                    if key == "enable":
-                        value = value in ("true", "1")
-                    elif key in ("energy_min", "energy_max"):
+                    if key == 'enable':
+                        value = value in ('true', '1')
+                    elif key in ('energy_min', 'energy_max'):
                         value = float(value)
-                    elif key == "nuclides":
+                    elif key == 'nuclides':
                         value = value.split()
                     self.resonance_scattering[key] = value
 
     def _create_fission_neutrons_from_xml_element(self, root):
-        text = get_text(root, "create_fission_neutrons")
+        text = get_text(root, 'create_fission_neutrons')
         if text is not None:
-            self.create_fission_neutrons = text in ("true", "1")
+            self.create_fission_neutrons = text in ('true', '1')
 
     def _delayed_photon_scaling_from_xml_element(self, root):
-        text = get_text(root, "delayed_photon_scaling")
+        text = get_text(root, 'delayed_photon_scaling')
         if text is not None:
-            self.delayed_photon_scaling = text in ("true", "1")
+            self.delayed_photon_scaling = text in ('true', '1')
 
     def _event_based_from_xml_element(self, root):
-        text = get_text(root, "event_based")
+        text = get_text(root, 'event_based')
         if text is not None:
-            self.event_based = text in ("true", "1")
+            self.event_based = text in ('true', '1')
 
     def _max_particles_in_flight_from_xml_element(self, root):
-        text = get_text(root, "max_particles_in_flight")
+        text = get_text(root, 'max_particles_in_flight')
         if text is not None:
             self.max_particles_in_flight = int(text)
 
     def _material_cell_offsets_from_xml_element(self, root):
-        text = get_text(root, "material_cell_offsets")
+        text = get_text(root, 'material_cell_offsets')
         if text is not None:
-            self.material_cell_offsets = text in ("true", "1")
+            self.material_cell_offsets = text in ('true', '1')
 
     def _log_grid_bins_from_xml_element(self, root):
-        text = get_text(root, "log_grid_bins")
+        text = get_text(root, 'log_grid_bins')
         if text is not None:
             self.log_grid_bins = int(text)
 
     def _write_initial_source_from_xml_element(self, root):
-        text = get_text(root, "write_initial_source")
+        text = get_text(root, 'write_initial_source')
         if text is not None:
-            self.write_initial_source = text in ("true", "1")
+            self.write_initial_source = text in ('true', '1')
 
     def _weight_windows_from_xml_element(self, root):
-        for elem in root.findall("weight_windows"):
+        for elem in root.findall('weight_windows'):
             ww = WeightWindows.from_xml_element(elem, root)
             self.weight_windows.append(ww)
 
-        text = get_text(root, "weight_windows_on")
+        text = get_text(root, 'weight_windows_on')
         if text is not None:
-            self.weight_windows_on = text in ("true", "1")
+            self.weight_windows_on = text in ('true', '1')
 
     def _max_splits_from_xml_element(self, root):
-        text = get_text(root, "max_splits")
+        text = get_text(root, 'max_splits')
         if text is not None:
             self.max_splits = int(text)
 
     def _max_tracks_from_xml_element(self, root):
-        text = get_text(root, "max_tracks")
+        text = get_text(root, 'max_tracks')
         if text is not None:
             self.max_tracks = int(text)
 
-    def export_to_xml(self, path: PathLike = "settings.xml"):
+    def export_to_xml(self, path: PathLike = 'settings.xml'):
         """Export simulation settings to an XML file.
-
         Parameters
         ----------
         path : str
             Path to file to write. Defaults to 'settings.xml'.
-
         """
 
         # Reset xml element tree
@@ -1631,29 +1600,25 @@ class Settings:
         # Check if path is a directory
         p = Path(path)
         if p.is_dir():
-            p /= "settings.xml"
+            p /= 'settings.xml'
 
         # Write the XML Tree to the settings.xml file
         reorder_attributes(root_element)  # TODO: Remove when support is Python 3.8+
         tree = ET.ElementTree(root_element)
-        tree.write(str(p), xml_declaration=True, encoding="utf-8")
+        tree.write(str(p), xml_declaration=True, encoding='utf-8')
 
     @classmethod
-    def from_xml(cls, path: PathLike = "settings.xml"):
+    def from_xml(cls, path: PathLike = 'settings.xml'):
         """Generate settings from XML file
-
         .. versionadded:: 0.13.0
-
         Parameters
         ----------
         path : str, optional
             Path to settings XML file
-
         Returns
         -------
         openmc.Settings
             Settings object
-
         """
         tree = ET.parse(path)
         root = tree.getroot()
@@ -1707,4 +1672,4 @@ class Settings:
 
         # TODO: Get volume calculations
 
-        return settings
+        return settings
\ No newline at end of file

From f6a7b61c4a64f18165608c4114570e6ca8b061ec Mon Sep 17 00:00:00 2001
From: josh <josh@radiantnuclear.com>
Date: Sun, 30 Oct 2022 03:31:26 +0000
Subject: [PATCH 1229/2654] address a few more formatting issues

---
 openmc/settings.py | 8 +++++++-
 1 file changed, 7 insertions(+), 1 deletion(-)

diff --git a/openmc/settings.py b/openmc/settings.py
index f13b233de..e48c0d3ad 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -1540,10 +1540,12 @@ class Settings:
 
     def export_to_xml(self, path: PathLike = 'settings.xml'):
         """Export simulation settings to an XML file.
+
         Parameters
         ----------
         path : str
             Path to file to write. Defaults to 'settings.xml'.
+
         """
 
         # Reset xml element tree
@@ -1610,15 +1612,19 @@ class Settings:
     @classmethod
     def from_xml(cls, path: PathLike = 'settings.xml'):
         """Generate settings from XML file
+
         .. versionadded:: 0.13.0
+
         Parameters
         ----------
         path : str, optional
             Path to settings XML file
+
         Returns
         -------
         openmc.Settings
             Settings object
+
         """
         tree = ET.parse(path)
         root = tree.getroot()
@@ -1672,4 +1678,4 @@ class Settings:
 
         # TODO: Get volume calculations
 
-        return settings
\ No newline at end of file
+        return settings

From 375af321d89fa5b4af812d73b496639090269a38 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <drshimwell@gmail.com>
Date: Tue, 1 Nov 2022 15:49:22 +0000
Subject: [PATCH 1230/2654] corrected types from code review by @paulromano

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/source.py | 6 +++---
 1 file changed, 3 insertions(+), 3 deletions(-)

diff --git a/openmc/source.py b/openmc/source.py
index d886e9891..9293a5953 100644
--- a/openmc/source.py
+++ b/openmc/source.py
@@ -4,7 +4,7 @@ from numbers import Real
 import warnings
 import typing  # imported separately as py3.8 requires typing.Iterable
 # also required to prevent typing.Union namespace overwriting Union
-from typing import Optional
+from typing import Optional, Sequence
 from xml.etree import ElementTree as ET
 
 import numpy as np
@@ -77,7 +77,7 @@ class Source:
     def __init__(
         self,
         space: Optional[openmc.stats.Spatial] = None,
-        angle: Optional[openmc.stats.Spatial] = None,
+        angle: Optional[openmc.stats.UnitSphere] = None,
         energy: Optional[openmc.stats.Univariate] = None,
         time: Optional[openmc.stats.Univariate] = None,
         filename: Optional[str] = None,
@@ -85,7 +85,7 @@ class Source:
         parameters: Optional[str] = None,
         strength: float = 1.0,
         particle: str = 'neutron',
-        domains: Optional[typing.Union[openmc.Cell, openmc.Material, openmc.Universe]] = None
+        domains: Optional[Sequence[typing.Union[openmc.Cell, openmc.Material, openmc.Universe]]] = None
     ):
         self._space = None
         self._angle = None

From 81b88cc018b17156bf08213a0e1348517ec8d428 Mon Sep 17 00:00:00 2001
From: josh <josh@radiantnuclear.com>
Date: Wed, 2 Nov 2022 02:23:37 +0000
Subject: [PATCH 1231/2654] Clean up comparisons and lump test cross sections

---
 src/nuclide.cpp                      |  6 ++---
 src/thermal.cpp                      |  6 +++--
 tests/unit_tests/test_temp_interp.py | 35 ++++++++++------------------
 3 files changed, 19 insertions(+), 28 deletions(-)

diff --git a/src/nuclide.cpp b/src/nuclide.cpp
index 4c1706509..134e2d6b9 100644
--- a/src/nuclide.cpp
+++ b/src/nuclide.cpp
@@ -171,14 +171,14 @@ Nuclide::Nuclide(hid_t group, const vector<double>& temperature)
       if (!found_pair) {
         // If no pairs found, check if the desired temperature falls just
         // outside of data
-        if (T_desired - temps_available.front() <=
-            -settings::temperature_tolerance) {
+        if (std::abs(T_desired - temps_available.front()) <=
+            settings::temperature_tolerance) {
           if (!contains(temps_to_read, temps_available.front())) {
             temps_to_read.push_back(std::round(temps_available.front()));
           }
           break;
         }
-        if (T_desired - temps_available.back() <=
+        if (std::abs(T_desired - temps_available.back()) <=
             settings::temperature_tolerance) {
           if (!contains(temps_to_read, temps_available.back())) {
             temps_to_read.push_back(std::round(temps_available.back()));
diff --git a/src/thermal.cpp b/src/thermal.cpp
index 66e1fb009..b54f07b36 100644
--- a/src/thermal.cpp
+++ b/src/thermal.cpp
@@ -119,11 +119,13 @@ ThermalScattering::ThermalScattering(
       if (!found) {
         // If no pairs found, check if the desired temperature falls within
         // bounds' tolerance
-        if (T - temps_available[0] <= -settings::temperature_tolerance) {
+        if (std::abs(T - temps_available[0]) <=
+            settings::temperature_tolerance) {
           temps_to_read.push_back(std::round(temps_available[0]));
           break;
         }
-        if (T - temps_available[n - 1] <= settings::temperature_tolerance) {
+        if (std::abs(T - temps_available[n - 1]) <=
+            settings::temperature_tolerance) {
           temps_to_read.push_back(std::round(temps_available[n - 1]));
           break;
         }
diff --git a/tests/unit_tests/test_temp_interp.py b/tests/unit_tests/test_temp_interp.py
index c64ebe46a..a28aafb6f 100644
--- a/tests/unit_tests/test_temp_interp.py
+++ b/tests/unit_tests/test_temp_interp.py
@@ -10,7 +10,7 @@ import pytest
 
 
 def make_fake_cross_section():
-    """Create fake U235 nuclide
+    """Create fake U235 nuclide with a fake thermal scattering library attached
 
     This nuclide is designed to have k_inf=1 at 300 K, k_inf=2 at 600 K, and
     k_inf=1 at 900 K. The absorption cross section is also constant with
@@ -81,16 +81,9 @@ def make_fake_cross_section():
     # Export HDF5 file
     u235_fake.export_to_hdf5('U235_fake.h5', 'w')
 
-    lib = openmc.data.DataLibrary()
-    lib.register_file('U235_fake.h5')
-    lib.export_to_xml('cross_sections_fake.xml')
-
-
-def fake_thermal_scattering():
-    """Create a fake thermal scattering library for U-235 at 294K and 600K
-    """
-    fake_tsl = openmc.data.ThermalScattering("c_U_fake", 1.9968, 4.9, [0.0253])
-    fake_tsl.nuclides = ['U235']
+    # Create a fake thermal scattering library attached to the fake U235 data
+    c_U_fake = openmc.data.ThermalScattering("c_U_fake", 1.9968, 4.9, [0.0253])
+    c_U_fake.nuclides = ['U235']
 
     # Create elastic reaction
     bragg_edges = [0.00370672, 0.00494229]
@@ -110,7 +103,7 @@ def fake_thermal_scattering():
         '294K': openmc.data.MixedElasticAE(coherent_dist, incoherent_dist_294),
         '600K': openmc.data.MixedElasticAE(coherent_dist, incoherent_dist_600)
         }
-    fake_tsl.elastic = openmc.data.ThermalScatteringReaction(elastic_xs, elastic_dist)
+    c_U_fake.elastic = openmc.data.ThermalScatteringReaction(elastic_xs, elastic_dist)
 
     # Create inelastic reaction
     inelastic_xs = {
@@ -135,19 +128,16 @@ def fake_thermal_scattering():
         breakpoints, interpolation, energy, energy_out, mu)
     inelastic_dist = {'294K': dist, '600K': dist}
     inelastic = openmc.data.ThermalScatteringReaction(inelastic_xs, inelastic_dist)
-    fake_tsl.inelastic = inelastic
+    c_U_fake.inelastic = inelastic
 
-    return fake_tsl
-
-
-def edit_fake_cross_sections():
-    """Edit the test cross sections xml to include fake thermal scattering data
-    """
-    lib = openmc.data.DataLibrary.from_xml("cross_sections_fake.xml")
-    c_U_fake = fake_thermal_scattering()
+    # Export HDF5 file
     c_U_fake.export_to_hdf5("c_U_fake.h5")
+
+    # Create a data library of the fake nuclide and its thermal scattering data
+    lib = openmc.data.DataLibrary()
+    lib.register_file('U235_fake.h5')
     lib.register_file("c_U_fake.h5")
-    lib.export_to_xml("cross_sections_fake.xml")
+    lib.export_to_xml('cross_sections_fake.xml')
 
 
 @pytest.fixture(scope='module')
@@ -223,7 +213,6 @@ def test_interpolation(model, method, temperature, fission_expected, tolerance):
 def test_temperature_interpolation_tolerance(model):
     """Test applying global and cell temperatures with thermal scattering libraries
     """
-    edit_fake_cross_sections()
     model.materials[0].add_s_alpha_beta("c_U_fake")
 
     # Default k-effective, using the thermal scattering data's minimum available temperature

From 235195b12522824e5f887875c4d5fa9024057a4f Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <drshimwell@gmail.com>
Date: Wed, 2 Nov 2022 12:20:50 +0000
Subject: [PATCH 1232/2654] Changed comment to reference 2020 atomic data
 version.

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/data/data.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/data/data.py b/openmc/data/data.py
index fcdafede7..55bfb4f09 100644
--- a/openmc/data/data.py
+++ b/openmc/data/data.py
@@ -223,7 +223,7 @@ def atomic_mass(isotope):
     """
     if not _ATOMIC_MASS:
 
-        # Load data from AME2020 file, Note format change to AME2016
+        # Load data from AME2020 file
         mass_file = os.path.join(os.path.dirname(__file__), 'mass_1.mas20.txt')
         with open(mass_file, 'r') as ame:
             # Read lines in file starting at line 37

From fd516c1c4cca06889e6bcfae664017984a0d64ef Mon Sep 17 00:00:00 2001
From: Hunter Belanger <hunter.belanger@gmail.com>
Date: Thu, 3 Nov 2022 18:55:06 +0100
Subject: [PATCH 1233/2654] Doctors the incoherent inelastic TSL data when in
 continuous format.

---
 openmc/data/thermal.py | 29 +++++++++++++++++++++++++++++
 1 file changed, 29 insertions(+)

diff --git a/openmc/data/thermal.py b/openmc/data/thermal.py
index 7e66b6319..44010a0b0 100644
--- a/openmc/data/thermal.py
+++ b/openmc/data/thermal.py
@@ -670,12 +670,41 @@ class ThermalScattering(EqualityMixin):
                 mu_i = []
                 for j in range(n_energy_out[i]):
                     mu = ace.xss[idx + 4:idx + 4 + n_mu]
+                    # The equiprobable angles produced by NJOY are not always
+                    # sorted. This is problematic when the smearing algorithm
+                    # is applied when sampling the angles. We sort the angles
+                    # here, because they are equiprobable, so the order
+                    # doesn't mater.
+                    mu.sort()
                     p_mu = 1. / n_mu * np.ones(n_mu)
                     mu_ij = Discrete(mu, p_mu)
                     mu_ij.c = np.cumsum(p_mu)
                     mu_i.append(mu_ij)
                     idx += 3 + n_mu
 
+                # Check if the CDF for the outgoing energy distribution starts
+                # at 0. For NJOY and FRENDY evaluations, this is never the case,
+                # and can very rarely lead to negative energies when sampling
+                # the outgoing energy. From Eq. 7.6 of the ENDF manual, we can
+                # add the outgoing energy 0 eV, which has a PDF of 0 (and of
+                # course, a CDF of 0 as well).
+                if eout_i.c[0] > 0.:
+                    eout_i.x = np.insert(eout_i.x, 0, 0.)
+                    eout_i.p = np.insert(eout_i.p, 0, 0.)
+                    eout_i.c = np.insert(eout_i.c, 0, 0.)
+
+                    # For this added outgoing energy (of 0 eV) we add a set of
+                    # isotropic discrete angles.
+                    dmu = 2. / n_mu
+                    mu = np.linsace(-1. + 0.5*dmu, 1. - 0.5*dmu, n_mu)
+                    p_mu = 1. / n_mu * np.ones(n_mu)
+                    mu_0 = Discrete(mu, p_mu)
+                    mu_0.c = np.cumsum(p_mu)
+                    mu_i.insert(0, mu_0)
+                # We don't worry about renormalizing the outgoing energy PDF/CDF
+                # after this manipulation, because it never seems to be
+                # normalized to begin with (at least with NJOY).
+
                 energy_out.append(eout_i)
                 mu_out.append(mu_i)
 

From 6cb7a178e8018a2376a3488320239d2c5f2862e6 Mon Sep 17 00:00:00 2001
From: Hunter Belanger <hunter.belanger@gmail.com>
Date: Thu, 3 Nov 2022 19:09:28 +0100
Subject: [PATCH 1234/2654] Fix spelling error.

---
 openmc/data/thermal.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/data/thermal.py b/openmc/data/thermal.py
index 44010a0b0..12e666cdc 100644
--- a/openmc/data/thermal.py
+++ b/openmc/data/thermal.py
@@ -696,7 +696,7 @@ class ThermalScattering(EqualityMixin):
                     # For this added outgoing energy (of 0 eV) we add a set of
                     # isotropic discrete angles.
                     dmu = 2. / n_mu
-                    mu = np.linsace(-1. + 0.5*dmu, 1. - 0.5*dmu, n_mu)
+                    mu = np.linspace(-1. + 0.5*dmu, 1. - 0.5*dmu, n_mu)
                     p_mu = 1. / n_mu * np.ones(n_mu)
                     mu_0 = Discrete(mu, p_mu)
                     mu_0.c = np.cumsum(p_mu)

From 647c9d185ea5d7a7be652da9fe22ebd5363f3ea5 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 4 Nov 2022 13:26:13 -0500
Subject: [PATCH 1235/2654] Update include/openmc/cell.h

---
 include/openmc/cell.h | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/include/openmc/cell.h b/include/openmc/cell.h
index 248c2b23d..39acaf067 100644
--- a/include/openmc/cell.h
+++ b/include/openmc/cell.h
@@ -58,7 +58,7 @@ public:
   //----------------------------------------------------------------------------
   // Constructors
   Region() {}
-  explicit Region(std::string region_expressioni, int32_t cell_id);
+  explicit Region(std::string region_spec, int32_t cell_id);
 
   //----------------------------------------------------------------------------
   // Methods

From 89fafb4fdff9fd00ebad6161beef36189308054c Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Wed, 26 Oct 2022 13:20:53 +0000
Subject: [PATCH 1236/2654] Improving missing material error for DAGMC material
 by ID

---
 src/dagmc.cpp | 9 ++++++++-
 1 file changed, 8 insertions(+), 1 deletion(-)

diff --git a/src/dagmc.cpp b/src/dagmc.cpp
index 0e04869fd..b06db792e 100644
--- a/src/dagmc.cpp
+++ b/src/dagmc.cpp
@@ -486,13 +486,20 @@ void DAGUniverse::legacy_assign_material(
 
   // if no material was set using a name, assign by id
   if (!mat_found_by_name) {
+    bool found_by_id = true;
     try {
       auto id = std::stoi(mat_string);
+      if (model::material_map.find(id) == model::material_map.end())
+        found_by_id = false;
       c->material_.emplace_back(id);
     } catch (const std::invalid_argument&) {
+      found_by_id = false;
+    }
+
+    // report failure for failed int conversion or missing material
+    if (!found_by_id)
       fatal_error(fmt::format(
         "No material '{}' found for volume (cell) {}", mat_string, c->id_));
-    }
   }
 
   if (settings::verbosity >= 10) {

From 075ff0304c8acc6b5907387ba919b44f4737aa2e Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Wed, 26 Oct 2022 14:10:16 +0000
Subject: [PATCH 1237/2654] Adding tests for expected error messages

---
 tests/regression_tests/dagmc/legacy/test.py | 19 +++++++++++++++++++
 1 file changed, 19 insertions(+)

diff --git a/tests/regression_tests/dagmc/legacy/test.py b/tests/regression_tests/dagmc/legacy/test.py
index 91734a219..706b52bea 100644
--- a/tests/regression_tests/dagmc/legacy/test.py
+++ b/tests/regression_tests/dagmc/legacy/test.py
@@ -11,6 +11,7 @@ pytestmark = pytest.mark.skipif(
 
 @pytest.fixture
 def model():
+    openmc.reset_auto_ids()
 
     model = openmc.model.Model()
 
@@ -56,6 +57,24 @@ def model():
     return model
 
 
+def test_missing_material_id(model):
+    # remove the last material, which is identified by ID in the DAGMC file
+    model.materials = model.materials[:-1]
+    with pytest.raises(RuntimeError) as exec_info:
+        model.run()
+    exp_error_msg = "Material with ID '41' not found for volume (cell) 3"
+    assert exp_error_msg in str(exec_info.value)
+
+
+def test_missing_material_name(model):
+    # remove the first material, which is identified by name in the DAGMC file
+    model.materials = model.materials[1:]
+    with pytest.raises(RuntimeError) as exec_info:
+        model.run()
+    exp_error_msg = "No material 'no-void fuel' found for volume (cell) 1"
+    assert exp_error_msg in str(exec_info.value)
+
+
 def test_dagmc(model):
     harness = PyAPITestHarness('statepoint.5.h5', model)
     harness.main()

From 7266fcc5edc11816f2ea010dfb896dc1af0a0e50 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Wed, 26 Oct 2022 22:06:28 +0000
Subject: [PATCH 1238/2654] Making error messages consistent

---
 src/dagmc.cpp                               | 5 +++--
 tests/regression_tests/dagmc/legacy/test.py | 4 ++--
 2 files changed, 5 insertions(+), 4 deletions(-)

diff --git a/src/dagmc.cpp b/src/dagmc.cpp
index b06db792e..129291891 100644
--- a/src/dagmc.cpp
+++ b/src/dagmc.cpp
@@ -498,8 +498,9 @@ void DAGUniverse::legacy_assign_material(
 
     // report failure for failed int conversion or missing material
     if (!found_by_id)
-      fatal_error(fmt::format(
-        "No material '{}' found for volume (cell) {}", mat_string, c->id_));
+      fatal_error(
+        fmt::format("Material with name/ID '{}' not found for volume (cell) {}",
+          mat_string, c->id_));
   }
 
   if (settings::verbosity >= 10) {
diff --git a/tests/regression_tests/dagmc/legacy/test.py b/tests/regression_tests/dagmc/legacy/test.py
index 706b52bea..502775148 100644
--- a/tests/regression_tests/dagmc/legacy/test.py
+++ b/tests/regression_tests/dagmc/legacy/test.py
@@ -62,7 +62,7 @@ def test_missing_material_id(model):
     model.materials = model.materials[:-1]
     with pytest.raises(RuntimeError) as exec_info:
         model.run()
-    exp_error_msg = "Material with ID '41' not found for volume (cell) 3"
+    exp_error_msg = "Material with name/ID '41' not found for volume (cell) 3"
     assert exp_error_msg in str(exec_info.value)
 
 
@@ -71,7 +71,7 @@ def test_missing_material_name(model):
     model.materials = model.materials[1:]
     with pytest.raises(RuntimeError) as exec_info:
         model.run()
-    exp_error_msg = "No material 'no-void fuel' found for volume (cell) 1"
+    exp_error_msg = "Material with name/ID 'no-void fuel' not found for volume (cell) 1"
     assert exp_error_msg in str(exec_info.value)
 
 

From 6a0d5043030cffd791b0500e6eecdf11be3fb02b Mon Sep 17 00:00:00 2001
From: Hunter Belanger <hunter.belanger@gmail.com>
Date: Sat, 5 Nov 2022 13:05:47 +0100
Subject: [PATCH 1239/2654] Fix wording of comments

---
 openmc/data/thermal.py | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/openmc/data/thermal.py b/openmc/data/thermal.py
index 12e666cdc..e6213e5f0 100644
--- a/openmc/data/thermal.py
+++ b/openmc/data/thermal.py
@@ -674,7 +674,7 @@ class ThermalScattering(EqualityMixin):
                     # sorted. This is problematic when the smearing algorithm
                     # is applied when sampling the angles. We sort the angles
                     # here, because they are equiprobable, so the order
-                    # doesn't mater.
+                    # doesn't matter.
                     mu.sort()
                     p_mu = 1. / n_mu * np.ones(n_mu)
                     mu_ij = Discrete(mu, p_mu)
@@ -686,7 +686,7 @@ class ThermalScattering(EqualityMixin):
                 # at 0. For NJOY and FRENDY evaluations, this is never the case,
                 # and can very rarely lead to negative energies when sampling
                 # the outgoing energy. From Eq. 7.6 of the ENDF manual, we can
-                # add the outgoing energy 0 eV, which has a PDF of 0 (and of
+                # add an outgoing energy 0 eV that has a PDF of 0 (and of
                 # course, a CDF of 0 as well).
                 if eout_i.c[0] > 0.:
                     eout_i.x = np.insert(eout_i.x, 0, 0.)

From b469b3a16981269ca7202c070058587f78c2a542 Mon Sep 17 00:00:00 2001
From: myerspat <myerspat@umich.edu>
Date: Sat, 5 Nov 2022 13:50:27 -0400
Subject: [PATCH 1240/2654] Added alias sampling to discrete distribution

---
 include/openmc/distribution.h |  4 +++
 src/distribution.cpp          | 58 ++++++++++++++++++++++++++++++-----
 2 files changed, 54 insertions(+), 8 deletions(-)

diff --git a/include/openmc/distribution.h b/include/openmc/distribution.h
index d3fe958ca..de1664275 100644
--- a/include/openmc/distribution.h
+++ b/include/openmc/distribution.h
@@ -52,6 +52,10 @@ public:
 private:
   vector<double> x_; //!< Possible outcomes
   vector<double> p_; //!< Probability of each outcome
+  
+  //! Alies method tables
+  vector<double> prob_; 
+  vector<double> alias_;
 
   //! Normalize distribution so that probabilities sum to unity
   void normalize();
diff --git a/src/distribution.cpp b/src/distribution.cpp
index 6bf51df6a..29cf4014a 100644
--- a/src/distribution.cpp
+++ b/src/distribution.cpp
@@ -36,20 +36,62 @@ Discrete::Discrete(const double* x, const double* p, int n)
   : x_ {x, x + n}, p_ {p, p + n}
 {
   normalize();
+
+  // Vectors for large and small probabilities based on 1/n
+  vector<int> large;
+  vector<int> small;
+
+  // Set and allocate memory
+  prob_ = p_;
+  alias_.reserve(n);
+
+  // Fill large and small vectors based on 1/n
+  for (int i = 0; i < n; i++) {
+    prob_[i] *= n;
+    if (prob_[i] > 1.0) {
+      large.push_back(i);
+    } else {
+      small.push_back(i);
+    }
+  }
+
+  while (!large.empty() && !small.empty()) {
+    int j = small.back();
+    int k = large.back();
+
+    // Update probability and alias based on Vose's algorithm
+    prob_[k] += prob_[j] - 1;
+    alias_[j] = k;
+
+    // Remove last vector element and or move large index to small vector
+    if (prob_[k] < 1) {
+      small.push_back(k);
+      large.pop_back();
+    } else {
+      small.pop_back();
+    }
+  }
 }
 
 double Discrete::sample(uint64_t* seed) const
 {
-  int n = x_.size();
+  int n = prob_.size();
   if (n > 1) {
-    double xi = prn(seed);
-    double c = 0.0;
-    for (int i = 0; i < n; ++i) {
-      c += p_[i];
-      if (xi < c)
-        return x_[i];
+    int u = prn(seed) * n;
+    if (prn(seed) < prob_[u]) {
+      return x_[u];
+    } else {
+      return x_[alias_[u]];
     }
-    throw std::runtime_error {"Error when sampling probability mass function."};
+
+    // double xi = prn(seed);
+    // double c = 0.0;
+    // for (int i = 0; i < n; ++i) {
+    //   c += p_[i];
+    //   if (xi < c)
+    //     return x_[i];
+    // }
+    // throw std::runtime_error {"Error when sampling probability mass function."};
   } else {
     return x_[0];
   }

From 20718f512184c6700281da67522fe6b74793bae9 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Sat, 5 Nov 2022 20:32:44 -0500
Subject: [PATCH 1241/2654] Adding enumerator for filter types.

---
 include/openmc/tallies/filter.h | 27 +++++++++++++++++++++++++++
 1 file changed, 27 insertions(+)

diff --git a/include/openmc/tallies/filter.h b/include/openmc/tallies/filter.h
index 2eecfe0e4..810ff371d 100644
--- a/include/openmc/tallies/filter.h
+++ b/include/openmc/tallies/filter.h
@@ -17,6 +17,33 @@
 
 namespace openmc {
 
+enum class FilterType {
+  AZIMUTHAL = 0,
+  CELLBORN,
+  CELLFROM,
+  CELL,
+  CELL_INSTANCE,
+  COLLISION,
+  DELAYEDGROUP,
+  DISTRIBCELL,
+  ENERGYFUNC,
+  ENERGY,
+  LEGENDRE,
+  MATCH,
+  MATERIAL,
+  MESH,
+  MESHSURFACE,
+  MU,
+  PARTICLE,
+  POLAR,
+  SPH_HARM,
+  SPTL_LEGENDRE,
+  SURFACE,
+  TIME,
+  UNIVERSE,
+  ZERNIKE,
+};
+
 //==============================================================================
 //! Modifies tally score events.
 //==============================================================================

From 06fbf3fe014a1296dbc69ae8f8950fb945594039 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Sat, 5 Nov 2022 21:14:59 -0500
Subject: [PATCH 1242/2654] Switch to use of FilterType enum for comparisons

---
 include/openmc/tallies/filter.h               | 18 ++++++++++--------
 include/openmc/tallies/filter_azimuthal.h     |  3 ++-
 include/openmc/tallies/filter_cell.h          |  3 ++-
 include/openmc/tallies/filter_cell_instance.h |  3 ++-
 include/openmc/tallies/filter_cellborn.h      |  3 ++-
 include/openmc/tallies/filter_cellfrom.h      |  3 ++-
 include/openmc/tallies/filter_collision.h     |  3 ++-
 include/openmc/tallies/filter_delayedgroup.h  |  3 ++-
 include/openmc/tallies/filter_distribcell.h   |  3 ++-
 include/openmc/tallies/filter_energy.h        |  6 ++++--
 include/openmc/tallies/filter_energyfunc.h    |  3 ++-
 include/openmc/tallies/filter_legendre.h      |  3 ++-
 include/openmc/tallies/filter_material.h      |  3 ++-
 include/openmc/tallies/filter_mesh.h          |  3 ++-
 include/openmc/tallies/filter_meshsurface.h   |  3 ++-
 include/openmc/tallies/filter_mu.h            |  3 ++-
 include/openmc/tallies/filter_particle.h      |  3 ++-
 include/openmc/tallies/filter_polar.h         |  3 ++-
 include/openmc/tallies/filter_sph_harm.h      |  3 ++-
 include/openmc/tallies/filter_sptl_legendre.h |  3 ++-
 include/openmc/tallies/filter_surface.h       |  3 ++-
 include/openmc/tallies/filter_time.h          |  3 ++-
 include/openmc/tallies/filter_universe.h      |  3 ++-
 include/openmc/tallies/filter_zernike.h       |  6 ++++--
 src/state_point.cpp                           |  2 +-
 src/tallies/filter.cpp                        |  2 +-
 src/tallies/filter_cell.cpp                   |  2 +-
 src/tallies/filter_mesh.cpp                   |  8 +++++---
 src/tallies/tally.cpp                         | 12 +++++++-----
 29 files changed, 75 insertions(+), 44 deletions(-)

diff --git a/include/openmc/tallies/filter.h b/include/openmc/tallies/filter.h
index 810ff371d..104a55e47 100644
--- a/include/openmc/tallies/filter.h
+++ b/include/openmc/tallies/filter.h
@@ -24,24 +24,25 @@ enum class FilterType {
   CELL,
   CELL_INSTANCE,
   COLLISION,
-  DELAYEDGROUP,
+  DELAYED_GROUP,
   DISTRIBCELL,
-  ENERGYFUNC,
+  ENERGY_FUNCTION,
   ENERGY,
+  ENERGY_OUT,
   LEGENDRE,
-  MATCH,
   MATERIAL,
   MESH,
-  MESHSURFACE,
+  MESH_SURFACE,
   MU,
   PARTICLE,
   POLAR,
-  SPH_HARM,
-  SPTL_LEGENDRE,
+  SPHERICAL_HARMONICS,
+  SPATIAL_LEGENDRE,
   SURFACE,
   TIME,
   UNIVERSE,
   ZERNIKE,
+  ZERNIKE_RADIAL
 };
 
 //==============================================================================
@@ -85,7 +86,8 @@ public:
   //----------------------------------------------------------------------------
   // Methods
 
-  virtual std::string type() const = 0;
+  virtual std::string type_str() const = 0;
+  virtual FilterType type() const = 0;
 
   //! Matches a tally event to a set of filter bins and weights.
   //!
@@ -99,7 +101,7 @@ public:
   //! Writes data describing this filter to an HDF5 statepoint group.
   virtual void to_statepoint(hid_t filter_group) const
   {
-    write_dataset(filter_group, "type", type());
+    write_dataset(filter_group, "type", type_str());
     write_dataset(filter_group, "n_bins", n_bins_);
   }
 
diff --git a/include/openmc/tallies/filter_azimuthal.h b/include/openmc/tallies/filter_azimuthal.h
index 2272b500a..37e1ef073 100644
--- a/include/openmc/tallies/filter_azimuthal.h
+++ b/include/openmc/tallies/filter_azimuthal.h
@@ -24,7 +24,8 @@ public:
   //----------------------------------------------------------------------------
   // Methods
 
-  std::string type() const override { return "azimuthal"; }
+  std::string type_str() const override { return "azimuthal"; }
+  FilterType type() const override { return FilterType::AZIMUTHAL; }
 
   void from_xml(pugi::xml_node node) override;
 
diff --git a/include/openmc/tallies/filter_cell.h b/include/openmc/tallies/filter_cell.h
index 46d89811d..b7ea01ce6 100644
--- a/include/openmc/tallies/filter_cell.h
+++ b/include/openmc/tallies/filter_cell.h
@@ -25,7 +25,8 @@ public:
   //----------------------------------------------------------------------------
   // Methods
 
-  std::string type() const override { return "cell"; }
+  std::string type_str() const override { return "cell"; }
+  FilterType type() const override { return FilterType::CELL; }
 
   void from_xml(pugi::xml_node node) override;
 
diff --git a/include/openmc/tallies/filter_cell_instance.h b/include/openmc/tallies/filter_cell_instance.h
index 4de3fcd29..f500f4889 100644
--- a/include/openmc/tallies/filter_cell_instance.h
+++ b/include/openmc/tallies/filter_cell_instance.h
@@ -28,7 +28,8 @@ public:
   //----------------------------------------------------------------------------
   // Methods
 
-  std::string type() const override { return "cellinstance"; }
+  std::string type_str() const override { return "cellinstance"; }
+  FilterType type() const override { return FilterType::CELL_INSTANCE; }
 
   void from_xml(pugi::xml_node node) override;
 
diff --git a/include/openmc/tallies/filter_cellborn.h b/include/openmc/tallies/filter_cellborn.h
index 282854020..17102d971 100644
--- a/include/openmc/tallies/filter_cellborn.h
+++ b/include/openmc/tallies/filter_cellborn.h
@@ -16,7 +16,8 @@ public:
   //----------------------------------------------------------------------------
   // Methods
 
-  std::string type() const override { return "cellborn"; }
+  std::string type_str() const override { return "cellborn"; }
+  FilterType type() const override { return FilterType::CELLBORN; }
 
   void get_all_bins(const Particle& p, TallyEstimator estimator,
     FilterMatch& match) const override;
diff --git a/include/openmc/tallies/filter_cellfrom.h b/include/openmc/tallies/filter_cellfrom.h
index 47abd0353..61ff50b05 100644
--- a/include/openmc/tallies/filter_cellfrom.h
+++ b/include/openmc/tallies/filter_cellfrom.h
@@ -16,7 +16,8 @@ public:
   //----------------------------------------------------------------------------
   // Methods
 
-  std::string type() const override { return "cellfrom"; }
+  std::string type_str() const override { return "cellfrom"; }
+  FilterType type() const override { return FilterType::CELLFROM; }
 
   void get_all_bins(const Particle& p, TallyEstimator estimator,
     FilterMatch& match) const override;
diff --git a/include/openmc/tallies/filter_collision.h b/include/openmc/tallies/filter_collision.h
index 3724b06cf..d2dab70ca 100644
--- a/include/openmc/tallies/filter_collision.h
+++ b/include/openmc/tallies/filter_collision.h
@@ -23,7 +23,8 @@ public:
   //----------------------------------------------------------------------------
   // Methods
 
-  std::string type() const override { return "collision"; }
+  std::string type_str() const override { return "collision"; }
+  FilterType type() const override { return FilterType::COLLISION; }
 
   void from_xml(pugi::xml_node node) override;
 
diff --git a/include/openmc/tallies/filter_delayedgroup.h b/include/openmc/tallies/filter_delayedgroup.h
index 72ffa1db5..71919b2ec 100644
--- a/include/openmc/tallies/filter_delayedgroup.h
+++ b/include/openmc/tallies/filter_delayedgroup.h
@@ -25,7 +25,8 @@ public:
   //----------------------------------------------------------------------------
   // Methods
 
-  std::string type() const override { return "delayedgroup"; }
+  std::string type_str() const override { return "delayedgroup"; }
+  FilterType type() const override { return FilterType::DELAYED_GROUP; }
 
   void from_xml(pugi::xml_node node) override;
 
diff --git a/include/openmc/tallies/filter_distribcell.h b/include/openmc/tallies/filter_distribcell.h
index d72ae022f..b5cdcce84 100644
--- a/include/openmc/tallies/filter_distribcell.h
+++ b/include/openmc/tallies/filter_distribcell.h
@@ -21,7 +21,8 @@ public:
   //----------------------------------------------------------------------------
   // Methods
 
-  std::string type() const override { return "distribcell"; }
+  std::string type_str() const override { return "distribcell"; }
+  FilterType type() const override { return FilterType::DISTRIBCELL; }
 
   void from_xml(pugi::xml_node node) override;
 
diff --git a/include/openmc/tallies/filter_energy.h b/include/openmc/tallies/filter_energy.h
index 000aaa28b..e35e01a6d 100644
--- a/include/openmc/tallies/filter_energy.h
+++ b/include/openmc/tallies/filter_energy.h
@@ -22,7 +22,8 @@ public:
   //----------------------------------------------------------------------------
   // Methods
 
-  std::string type() const override { return "energy"; }
+  std::string type_str() const override { return "energy"; }
+  FilterType type() const override { return FilterType::ENERGY; }
 
   void from_xml(pugi::xml_node node) override;
 
@@ -63,7 +64,8 @@ public:
   //----------------------------------------------------------------------------
   // Methods
 
-  std::string type() const override { return "energyout"; }
+  std::string type_str() const override { return "energyout"; }
+  FilterType type() const override { return FilterType::ENERGY_OUT; }
 
   void get_all_bins(const Particle& p, TallyEstimator estimator,
     FilterMatch& match) const override;
diff --git a/include/openmc/tallies/filter_energyfunc.h b/include/openmc/tallies/filter_energyfunc.h
index 373fee8dd..d77ef0fa8 100644
--- a/include/openmc/tallies/filter_energyfunc.h
+++ b/include/openmc/tallies/filter_energyfunc.h
@@ -24,7 +24,8 @@ public:
   //----------------------------------------------------------------------------
   // Methods
 
-  std::string type() const override { return "energyfunction"; }
+  std::string type_str() const override { return "energyfunction"; }
+  FilterType type() const override { return FilterType::ENERGY_FUNCTION; }
 
   void from_xml(pugi::xml_node node) override;
 
diff --git a/include/openmc/tallies/filter_legendre.h b/include/openmc/tallies/filter_legendre.h
index b1fac37c8..839fd77bf 100644
--- a/include/openmc/tallies/filter_legendre.h
+++ b/include/openmc/tallies/filter_legendre.h
@@ -21,7 +21,8 @@ public:
   //----------------------------------------------------------------------------
   // Methods
 
-  std::string type() const override { return "legendre"; }
+  std::string type_str() const override { return "legendre"; }
+  FilterType type() const override { return FilterType::LEGENDRE; }
 
   void from_xml(pugi::xml_node node) override;
 
diff --git a/include/openmc/tallies/filter_material.h b/include/openmc/tallies/filter_material.h
index f58fc9938..5da556d5e 100644
--- a/include/openmc/tallies/filter_material.h
+++ b/include/openmc/tallies/filter_material.h
@@ -25,7 +25,8 @@ public:
   //----------------------------------------------------------------------------
   // Methods
 
-  std::string type() const override { return "material"; }
+  std::string type_str() const override { return "material"; }
+  FilterType type() const override { return FilterType::MATERIAL; }
 
   void from_xml(pugi::xml_node node) override;
 
diff --git a/include/openmc/tallies/filter_mesh.h b/include/openmc/tallies/filter_mesh.h
index ef055b1a2..e3bcd7c20 100644
--- a/include/openmc/tallies/filter_mesh.h
+++ b/include/openmc/tallies/filter_mesh.h
@@ -24,7 +24,8 @@ public:
   //----------------------------------------------------------------------------
   // Methods
 
-  std::string type() const override { return "mesh"; }
+  std::string type_str() const override { return "mesh"; }
+  FilterType type() const override { return FilterType::MESH; }
 
   void from_xml(pugi::xml_node node) override;
 
diff --git a/include/openmc/tallies/filter_meshsurface.h b/include/openmc/tallies/filter_meshsurface.h
index 28f4e265f..195995c69 100644
--- a/include/openmc/tallies/filter_meshsurface.h
+++ b/include/openmc/tallies/filter_meshsurface.h
@@ -10,7 +10,8 @@ public:
   //----------------------------------------------------------------------------
   // Methods
 
-  std::string type() const override { return "meshsurface"; }
+  std::string type_str() const override { return "meshsurface"; }
+  FilterType type() const override { return FilterType::MESH_SURFACE; }
 
   void get_all_bins(const Particle& p, TallyEstimator estimator,
     FilterMatch& match) const override;
diff --git a/include/openmc/tallies/filter_mu.h b/include/openmc/tallies/filter_mu.h
index 5299f6dd4..942ee60c2 100644
--- a/include/openmc/tallies/filter_mu.h
+++ b/include/openmc/tallies/filter_mu.h
@@ -23,7 +23,8 @@ public:
   //----------------------------------------------------------------------------
   // Methods
 
-  std::string type() const override { return "mu"; }
+  std::string type_str() const override { return "mu"; }
+  FilterType type() const override { return FilterType::MU; }
 
   void from_xml(pugi::xml_node node) override;
 
diff --git a/include/openmc/tallies/filter_particle.h b/include/openmc/tallies/filter_particle.h
index cd4c5d413..a181d5cee 100644
--- a/include/openmc/tallies/filter_particle.h
+++ b/include/openmc/tallies/filter_particle.h
@@ -21,7 +21,8 @@ public:
   //----------------------------------------------------------------------------
   // Methods
 
-  std::string type() const override { return "particle"; }
+  std::string type_str() const override { return "particle"; }
+  FilterType type() const override { return FilterType::PARTICLE; }
 
   void from_xml(pugi::xml_node node) override;
 
diff --git a/include/openmc/tallies/filter_polar.h b/include/openmc/tallies/filter_polar.h
index e06aca1e0..78bb25aa4 100644
--- a/include/openmc/tallies/filter_polar.h
+++ b/include/openmc/tallies/filter_polar.h
@@ -24,7 +24,8 @@ public:
   //----------------------------------------------------------------------------
   // Methods
 
-  std::string type() const override { return "polar"; }
+  std::string type_str() const override { return "polar"; }
+  FilterType type() const override { return FilterType::POLAR; }
 
   void from_xml(pugi::xml_node node) override;
 
diff --git a/include/openmc/tallies/filter_sph_harm.h b/include/openmc/tallies/filter_sph_harm.h
index 5f5bf84f2..5d4a4bd99 100644
--- a/include/openmc/tallies/filter_sph_harm.h
+++ b/include/openmc/tallies/filter_sph_harm.h
@@ -25,7 +25,8 @@ public:
   //----------------------------------------------------------------------------
   // Methods
 
-  std::string type() const override { return "sphericalharmonics"; }
+  std::string type_str() const override { return "sphericalharmonics"; }
+  FilterType type() const override { return FilterType::SPHERICAL_HARMONICS; }
 
   void from_xml(pugi::xml_node node) override;
 
diff --git a/include/openmc/tallies/filter_sptl_legendre.h b/include/openmc/tallies/filter_sptl_legendre.h
index d6ac24668..b6c380e9b 100644
--- a/include/openmc/tallies/filter_sptl_legendre.h
+++ b/include/openmc/tallies/filter_sptl_legendre.h
@@ -23,7 +23,8 @@ public:
   //----------------------------------------------------------------------------
   // Methods
 
-  std::string type() const override { return "spatiallegendre"; }
+  std::string type_str() const override { return "spatiallegendre"; }
+  FilterType type() const override { return FilterType::SPATIAL_LEGENDRE; }
 
   void from_xml(pugi::xml_node node) override;
 
diff --git a/include/openmc/tallies/filter_surface.h b/include/openmc/tallies/filter_surface.h
index 358963fde..3537f1cc7 100644
--- a/include/openmc/tallies/filter_surface.h
+++ b/include/openmc/tallies/filter_surface.h
@@ -25,7 +25,8 @@ public:
   //----------------------------------------------------------------------------
   // Methods
 
-  std::string type() const override { return "surface"; }
+  std::string type_str() const override { return "surface"; }
+  FilterType type() const override { return FilterType::SURFACE; }
 
   void from_xml(pugi::xml_node node) override;
 
diff --git a/include/openmc/tallies/filter_time.h b/include/openmc/tallies/filter_time.h
index c66481c57..105ef9880 100644
--- a/include/openmc/tallies/filter_time.h
+++ b/include/openmc/tallies/filter_time.h
@@ -22,7 +22,8 @@ public:
   //----------------------------------------------------------------------------
   // Methods
 
-  std::string type() const override { return "time"; }
+  std::string type_str() const override { return "time"; }
+  FilterType type() const override { return FilterType::TIME; }
 
   void from_xml(pugi::xml_node node) override;
 
diff --git a/include/openmc/tallies/filter_universe.h b/include/openmc/tallies/filter_universe.h
index fde0b6397..d4894353b 100644
--- a/include/openmc/tallies/filter_universe.h
+++ b/include/openmc/tallies/filter_universe.h
@@ -25,7 +25,8 @@ public:
   //----------------------------------------------------------------------------
   // Methods
 
-  std::string type() const override { return "universe"; }
+  std::string type_str() const override { return "universe"; }
+  FilterType type() const override { return FilterType::UNIVERSE; }
 
   void from_xml(pugi::xml_node node) override;
 
diff --git a/include/openmc/tallies/filter_zernike.h b/include/openmc/tallies/filter_zernike.h
index 72c47e654..b6d9c91e6 100644
--- a/include/openmc/tallies/filter_zernike.h
+++ b/include/openmc/tallies/filter_zernike.h
@@ -21,7 +21,8 @@ public:
   //----------------------------------------------------------------------------
   // Methods
 
-  std::string type() const override { return "zernike"; }
+  std::string type_str() const override { return "zernike"; }
+  FilterType type() const override { return FilterType::ZERNIKE; }
 
   void from_xml(pugi::xml_node node) override;
 
@@ -72,7 +73,8 @@ public:
   //----------------------------------------------------------------------------
   // Methods
 
-  std::string type() const override { return "zernikeradial"; }
+  std::string type_str() const override { return "zernikeradial"; }
+  FilterType type() const override { return FilterType::ZERNIKE_RADIAL; }
 
   void get_all_bins(const Particle& p, TallyEstimator estimator,
     FilterMatch& match) const override;
diff --git a/src/state_point.cpp b/src/state_point.cpp
index 470dd7718..4170421be 100644
--- a/src/state_point.cpp
+++ b/src/state_point.cpp
@@ -804,7 +804,7 @@ void write_unstructured_mesh_results()
     vector<std::string> tally_scores;
     for (auto filter_idx : tally->filters()) {
       auto& filter = model::tally_filters[filter_idx];
-      if (filter->type() != "mesh")
+      if (filter->type() != FilterType::MESH)
         continue;
 
       // check if the filter uses an unstructured mesh
diff --git a/src/tallies/filter.cpp b/src/tallies/filter.cpp
index a1e5c709f..a121299fe 100644
--- a/src/tallies/filter.cpp
+++ b/src/tallies/filter.cpp
@@ -232,7 +232,7 @@ extern "C" int openmc_filter_get_type(int32_t index, char* type)
   if (int err = verify_filter(index))
     return err;
 
-  std::strcpy(type, model::tally_filters[index]->type().c_str());
+  std::strcpy(type, model::tally_filters[index]->type_str().c_str());
   return 0;
 }
 
diff --git a/src/tallies/filter_cell.cpp b/src/tallies/filter_cell.cpp
index 9ccae6b48..794d2ae08 100644
--- a/src/tallies/filter_cell.cpp
+++ b/src/tallies/filter_cell.cpp
@@ -80,7 +80,7 @@ extern "C" int openmc_cell_filter_get_bins(
     return err;
 
   const auto& filt = model::tally_filters[index].get();
-  if (filt->type() != "cell") {
+  if (filt->type() != FilterType::CELL) {
     set_errmsg("Tried to get cells from a non-cell filter.");
     return OPENMC_E_INVALID_TYPE;
   }
diff --git a/src/tallies/filter_mesh.cpp b/src/tallies/filter_mesh.cpp
index 3f895b4f8..deb143346 100644
--- a/src/tallies/filter_mesh.cpp
+++ b/src/tallies/filter_mesh.cpp
@@ -16,7 +16,7 @@ void MeshFilter::from_xml(pugi::xml_node node)
   auto bins_ = get_node_array<int32_t>(node, "bins");
   if (bins_.size() != 1) {
     fatal_error(
-      "Only one mesh can be specified per " + type() + " mesh filter.");
+      "Only one mesh can be specified per " + type_str() + " mesh filter.");
   }
 
   auto id = bins_[0];
@@ -158,7 +158,8 @@ extern "C" int openmc_mesh_filter_get_translation(
 
   // Check the filter type
   const auto& filter = model::tally_filters[index];
-  if (filter->type() != "mesh" && filter->type() != "meshsurface") {
+  if (filter->type() != FilterType::MESH &&
+      filter->type() != FilterType::MESH_SURFACE) {
     set_errmsg("Tried to get a translation from a non-mesh-based filter.");
     return OPENMC_E_INVALID_TYPE;
   }
@@ -182,7 +183,8 @@ extern "C" int openmc_mesh_filter_set_translation(
 
   const auto& filter = model::tally_filters[index];
   // Check the filter type
-  if (filter->type() != "mesh" && filter->type() != "meshsurface") {
+  if (filter->type() != FilterType::MESH &&
+      filter->type() != FilterType::MESH_SURFACE) {
     set_errmsg("Tried to set mesh on a non-mesh-based filter.");
     return OPENMC_E_INVALID_TYPE;
   }
diff --git a/src/tallies/tally.cpp b/src/tallies/tally.cpp
index 11d5b245f..51194684a 100644
--- a/src/tallies/tally.cpp
+++ b/src/tallies/tally.cpp
@@ -140,16 +140,18 @@ Tally::Tally(pugi::xml_node node)
       particle_filter_index = i_filter;
 
     // Change the tally estimator if a filter demands it
-    std::string filt_type = f->type();
-    if (filt_type == "energyout" || filt_type == "legendre") {
+    FilterType filt_type = f->type();
+    if (filt_type == FilterType::ENERGY_OUT ||
+        filt_type == FilterType::LEGENDRE) {
       estimator_ = TallyEstimator::ANALOG;
-    } else if (filt_type == "sphericalharmonics") {
+    } else if (filt_type == FilterType::SPHERICAL_HARMONICS) {
       auto sf = dynamic_cast<SphericalHarmonicsFilter*>(f);
       if (sf->cosine() == SphericalHarmonicsCosine::scatter) {
         estimator_ = TallyEstimator::ANALOG;
       }
-    } else if (filt_type == "spatiallegendre" || filt_type == "zernike" ||
-               filt_type == "zernikeradial") {
+    } else if (filt_type == FilterType::SPATIAL_LEGENDRE ||
+               filt_type == FilterType::ZERNIKE ||
+               filt_type == FilterType::ZERNIKE_RADIAL) {
       estimator_ = TallyEstimator::COLLISION;
     }
   }

From 8d58588341417f3cfbce48f0cfaf3ca780332ab7 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Sat, 5 Nov 2022 21:19:00 -0500
Subject: [PATCH 1243/2654] Changing CellBorn filter name to match other class
 names

---
 include/openmc/tallies/filter_cellborn.h | 2 +-
 src/tallies/filter.cpp                   | 2 +-
 src/tallies/filter_cellborn.cpp          | 4 ++--
 3 files changed, 4 insertions(+), 4 deletions(-)

diff --git a/include/openmc/tallies/filter_cellborn.h b/include/openmc/tallies/filter_cellborn.h
index 17102d971..417aedece 100644
--- a/include/openmc/tallies/filter_cellborn.h
+++ b/include/openmc/tallies/filter_cellborn.h
@@ -11,7 +11,7 @@ namespace openmc {
 //! Specifies which cell the particle was born in.
 //==============================================================================
 
-class CellbornFilter : public CellFilter {
+class CellBornFilter : public CellFilter {
 public:
   //----------------------------------------------------------------------------
   // Methods
diff --git a/src/tallies/filter.cpp b/src/tallies/filter.cpp
index a121299fe..c00d4fd43 100644
--- a/src/tallies/filter.cpp
+++ b/src/tallies/filter.cpp
@@ -115,7 +115,7 @@ Filter* Filter::create(const std::string& type, int32_t id)
   } else if (type == "cell") {
     return Filter::create<CellFilter>(id);
   } else if (type == "cellborn") {
-    return Filter::create<CellbornFilter>(id);
+    return Filter::create<CellBornFilter>(id);
   } else if (type == "cellfrom") {
     return Filter::create<CellFromFilter>(id);
   } else if (type == "cellinstance") {
diff --git a/src/tallies/filter_cellborn.cpp b/src/tallies/filter_cellborn.cpp
index d0d25c9a0..ad8363e7b 100644
--- a/src/tallies/filter_cellborn.cpp
+++ b/src/tallies/filter_cellborn.cpp
@@ -4,7 +4,7 @@
 
 namespace openmc {
 
-void CellbornFilter::get_all_bins(
+void CellBornFilter::get_all_bins(
   const Particle& p, TallyEstimator estimator, FilterMatch& match) const
 {
   auto search = map_.find(p.cell_born());
@@ -14,7 +14,7 @@ void CellbornFilter::get_all_bins(
   }
 }
 
-std::string CellbornFilter::text_label(int bin) const
+std::string CellBornFilter::text_label(int bin) const
 {
   return "Birth Cell " + std::to_string(model::cells[cells_[bin]]->id_);
 }

From 1abb728b4fc3f7190c105aa3ce7cd91504b4cb8d Mon Sep 17 00:00:00 2001
From: myerspat <myerspat@umich.edu>
Date: Tue, 8 Nov 2022 19:42:16 -0500
Subject: [PATCH 1244/2654] bug fixing Discrete constructor

---
 src/distribution.cpp | 20 ++++++--------------
 1 file changed, 6 insertions(+), 14 deletions(-)

diff --git a/src/distribution.cpp b/src/distribution.cpp
index 29cf4014a..55b6c53b7 100644
--- a/src/distribution.cpp
+++ b/src/distribution.cpp
@@ -59,23 +59,24 @@ Discrete::Discrete(const double* x, const double* p, int n)
     int j = small.back();
     int k = large.back();
 
+    // Remove last element of small
+    small.pop_back();
+
     // Update probability and alias based on Vose's algorithm
     prob_[k] += prob_[j] - 1;
     alias_[j] = k;
 
     // Remove last vector element and or move large index to small vector
-    if (prob_[k] < 1) {
+    if (prob_[k] < 1.0) {
       small.push_back(k);
       large.pop_back();
-    } else {
-      small.pop_back();
     }
   }
 }
 
 double Discrete::sample(uint64_t* seed) const
 {
-  int n = prob_.size();
+  int n = x_.size();
   if (n > 1) {
     int u = prn(seed) * n;
     if (prn(seed) < prob_[u]) {
@@ -83,17 +84,8 @@ double Discrete::sample(uint64_t* seed) const
     } else {
       return x_[alias_[u]];
     }
-
-    // double xi = prn(seed);
-    // double c = 0.0;
-    // for (int i = 0; i < n; ++i) {
-    //   c += p_[i];
-    //   if (xi < c)
-    //     return x_[i];
-    // }
-    // throw std::runtime_error {"Error when sampling probability mass function."};
   } else {
-    return x_[0];
+    return x_.size();
   }
 }
 

From 1110038939b8d72d36e9ac7e202f6a6899bfe708 Mon Sep 17 00:00:00 2001
From: Ethan Peterson <ethan.peterson@mit.edu>
Date: Tue, 8 Nov 2022 21:04:15 -0500
Subject: [PATCH 1245/2654] remove get_redundant_surfaces and cache

---
 openmc/geometry.py                | 62 +++++++++++++------------------
 openmc/model/model.py             |  3 ++
 tests/unit_tests/test_geometry.py |  9 ++---
 3 files changed, 32 insertions(+), 42 deletions(-)

diff --git a/openmc/geometry.py b/openmc/geometry.py
index 379a2bb4e..3b6933362 100644
--- a/openmc/geometry.py
+++ b/openmc/geometry.py
@@ -37,7 +37,6 @@ class Geometry:
     def __init__(self, root=None):
         self._root_universe = None
         self._offsets = {}
-        self._redundant_surface_map = None
         self.merge_surfaces = False
         self.surface_precision = 10
         if root is not None:
@@ -430,38 +429,6 @@ class Geometry:
                 surfaces = cell.region.get_surfaces(surfaces)
         return surfaces
 
-    def get_redundant_surfaces(self):
-        """Return all of the topologically redundant surface IDs.
-
-        Uses surface_precision attribute of Geometry instance for rounding and
-        comparing surface coefficients.
-
-        .. versionadded:: 0.12
-
-        Returns
-        -------
-        dict
-            Dictionary whose keys are the ID of a redundant surface and whose
-            values are the topologically equivalent :class:`openmc.Surface`
-            that should replace it.
-
-        """
-        # check if redundant surfaces have not been calculated yet
-        if self._redundant_surface_map is None:
-            redundancies = defaultdict(list)
-            for surf in self.get_all_surfaces().values():
-                coeffs = tuple(round(surf._coefficients[k],
-                                     self.surface_precision)
-                               for k in surf._coeff_keys)
-                key = (surf._type,) + coeffs
-                redundancies[key].append(surf)
-
-            self._redundant_surface_map = {replace.id: keep
-                                           for keep, *redundant in redundancies.values()
-                                           for replace in redundant}
-
-        return self._redundant_surface_map
-
     def _get_domains_by_name(self, name, case_sensitive, matching, domain_type):
         if not case_sensitive:
             name = name.lower()
@@ -609,10 +576,33 @@ class Geometry:
         return self._get_domains_by_name(name, case_sensitive, matching, 'lattice')
 
     def remove_redundant_surfaces(self):
-        """Remove redundant surfaces from the geometry."""
+        """Remove and return all of the redundant surfaces.
 
+        Uses surface_precision attribute of Geometry instance for rounding and
+        comparing surface coefficients.
+
+        .. versionadded:: 0.12
+
+        Returns
+        -------
+        redundant_surfaces
+            Dictionary whose keys are the ID of a redundant surface and whose
+            values are the topologically equivalent :class:`openmc.Surface`
+            that should replace it.
+
+        """
         # Get redundant surfaces
-        redundant_surfaces = self.get_redundant_surfaces()
+        redundancies = defaultdict(list)
+        for surf in self.get_all_surfaces().values():
+            coeffs = tuple(round(surf._coefficients[k],
+                                 self.surface_precision)
+                           for k in surf._coeff_keys)
+            key = (surf._type,) + coeffs
+            redundancies[key].append(surf)
+
+        redundant_surfaces = {replace.id: keep
+                              for keep, *redundant in redundancies.values()
+                              for replace in redundant}
 
         if redundant_surfaces:
             # Iterate through all cells contained in the geometry
@@ -621,7 +611,7 @@ class Geometry:
                 if cell.region:
                     cell.region.remove_redundant_surfaces(redundant_surfaces)
 
-        self._redundant_surface_map = None
+        return redundant_surfaces
 
     def determine_paths(self, instances_only=False):
         """Determine paths through CSG tree for cells and materials.
diff --git a/openmc/model/model.py b/openmc/model/model.py
index 7126987cb..98136b2d5 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -422,6 +422,9 @@ class Model:
             warnings.warn("remove_surfs kwarg will be deprecated soon, please "
                           "set the Geometry.merge_surfaces attribute instead.")
             self.geometry.merge_surfaces = True
+            # Can be used to modify tallies in case any surfaces are redundant
+            redundant_surfaces = self.geometry.remove_redundant_surfaces()
+
         self.geometry.export_to_xml(d)
 
         # If a materials collection was specified, export it. Otherwise, look
diff --git a/tests/unit_tests/test_geometry.py b/tests/unit_tests/test_geometry.py
index 6a092126e..9db112fd2 100644
--- a/tests/unit_tests/test_geometry.py
+++ b/tests/unit_tests/test_geometry.py
@@ -302,7 +302,7 @@ def test_rotation_matrix():
     assert geom.find((0.0, -0.5, 0.0))[-1] == c1
     assert geom.find((0.0, -1.5, 0.0))[-1] == c2
 
-def test_remove_redundant_surfaces(run_in_tmpdir):
+def test_remove_redundant_surfaces():
     """Test ability to remove redundant surfaces"""
 
     m1 = openmc.Material()
@@ -344,11 +344,8 @@ def test_remove_redundant_surfaces(run_in_tmpdir):
                                materials=openmc.Materials([m1, m2, m3]))
 
     # There should be 6 redundant surfaces in this geometry
-    n_redundant_surfs = len(geom.get_redundant_surfaces().keys())
+    n_redundant_surfs = len(geom.remove_redundant_surfaces().keys())
     assert n_redundant_surfs == 6
-    # Remove redundant surfaces on export
-    model.export_to_xml()
-    geom = openmc.Geometry.from_xml()
     # There should be 0 remaining redundant surfaces
-    n_redundant_surfs = len(geom.get_redundant_surfaces().keys())
+    n_redundant_surfs = len(geom.remove_redundant_surfaces().keys())
     assert n_redundant_surfs == 0

From 21a14f6eebb44c88834bd8f2c71881bfab75608a Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Wed, 9 Nov 2022 16:23:48 -0600
Subject: [PATCH 1246/2654] Add suggestion from @paulromano

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 include/openmc/tallies/filter.h | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/include/openmc/tallies/filter.h b/include/openmc/tallies/filter.h
index 104a55e47..47b4c8a94 100644
--- a/include/openmc/tallies/filter.h
+++ b/include/openmc/tallies/filter.h
@@ -18,7 +18,7 @@
 namespace openmc {
 
 enum class FilterType {
-  AZIMUTHAL = 0,
+  AZIMUTHAL,
   CELLBORN,
   CELLFROM,
   CELL,

From 67e18c0db6e02fb7c40d01669277da64a6067d44 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Wed, 9 Nov 2022 16:34:46 -0600
Subject: [PATCH 1247/2654] Updating documentation for CellBornFilter

---
 docs/source/pythonapi/base.rst | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/docs/source/pythonapi/base.rst b/docs/source/pythonapi/base.rst
index 076b02722..72d2534ea 100644
--- a/docs/source/pythonapi/base.rst
+++ b/docs/source/pythonapi/base.rst
@@ -120,7 +120,7 @@ Constructing Tallies
    openmc.MaterialFilter
    openmc.CellFilter
    openmc.CellFromFilter
-   openmc.CellbornFilter
+   openmc.CellBornFilter
    openmc.CellInstanceFilter
    openmc.CollisionFilter
    openmc.SurfaceFilter

From aaaff621354be10ea474012e649c94752896e8bf Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Wed, 9 Nov 2022 16:35:19 -0600
Subject: [PATCH 1248/2654] Using new CellBornFilter class name in the tallies
 reg test

---
 tests/regression_tests/tallies/test.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/tests/regression_tests/tallies/test.py b/tests/regression_tests/tallies/test.py
index 3e1c6e7ba..6b4baabce 100644
--- a/tests/regression_tests/tallies/test.py
+++ b/tests/regression_tests/tallies/test.py
@@ -40,7 +40,7 @@ def test_tallies():
 
     cellborn_tally = Tally()
     cellborn_tally.filters = [
-        CellbornFilter((model.geometry.get_all_cells()[10],
+        CellBornFilter((model.geometry.get_all_cells()[10],
                         model.geometry.get_all_cells()[21],
                         22, 23))]  # Test both Cell objects and ids
     cellborn_tally.scores = ['total']

From 5e7f3f7efd6c5351ad6f644dc2b79938619f9c9a Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Wed, 9 Nov 2022 17:34:05 -0600
Subject: [PATCH 1249/2654] Adding alias for CellbornFilter in the Python API

---
 openmc/filter.py | 10 +++++++++-
 1 file changed, 9 insertions(+), 1 deletion(-)

diff --git a/openmc/filter.py b/openmc/filter.py
index d6571cd5a..07c4fd959 100644
--- a/openmc/filter.py
+++ b/openmc/filter.py
@@ -533,7 +533,7 @@ class CellFromFilter(WithIDFilter):
     expected_type = Cell
 
 
-class CellbornFilter(WithIDFilter):
+class CellBornFilter(WithIDFilter):
     """Bins tally events based on which cell the particle was born in.
 
     Parameters
@@ -557,6 +557,14 @@ class CellbornFilter(WithIDFilter):
     expected_type = Cell
 
 
+# Temporary alias for CellbornFilter
+def CellbornFilter(*args, **kwargs):
+    warnings.warn('The name of "CellbornFilter" has changed to '
+                  '"CellBornFilter". "CellbornFilter" will be '
+                  'removed in the future.')
+    return CellBornFilter(*args, **kwargs)
+
+
 class CellInstanceFilter(Filter):
     """Bins tally events based on which cell instance a particle is in.
 

From d765d3224f7995abe8742423d4f864dfa56121eb Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 10 Nov 2022 09:02:31 -0600
Subject: [PATCH 1250/2654] Update openmc/filter.py

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/filter.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/filter.py b/openmc/filter.py
index 07c4fd959..99b005351 100644
--- a/openmc/filter.py
+++ b/openmc/filter.py
@@ -561,7 +561,7 @@ class CellBornFilter(WithIDFilter):
 def CellbornFilter(*args, **kwargs):
     warnings.warn('The name of "CellbornFilter" has changed to '
                   '"CellBornFilter". "CellbornFilter" will be '
-                  'removed in the future.')
+                  'removed in the future.', FutureWarning)
     return CellBornFilter(*args, **kwargs)
 
 

From e64bf6a7ffb1b33f732e804bf10ff376d2cba700 Mon Sep 17 00:00:00 2001
From: Jose Ignacio Marquez Damian <22483345+marquezj@users.noreply.github.com>
Date: Thu, 10 Nov 2022 12:31:45 -0300
Subject: [PATCH 1251/2654] Add installation instructions for NCrystal

---
 docs/source/usersguide/install.rst | 17 +++++++++++++++++
 1 file changed, 17 insertions(+)

diff --git a/docs/source/usersguide/install.rst b/docs/source/usersguide/install.rst
index 74be9ba0b..9e5ba1ffd 100644
--- a/docs/source/usersguide/install.rst
+++ b/docs/source/usersguide/install.rst
@@ -271,6 +271,16 @@ Prerequisites
 
           cmake -DOPENMC_USE_DAGMC=on -DCMAKE_PREFIX_PATH=/path/to/dagmc/installation ..
 
+    * NCrystal_ library for defining materials with enhanced thermal neutron transport
+
+      Adding this option allows the creation of materials from NCrystal, which
+      replaces the scattering kernel treatment of ACE files with a modular, on-the-fly approach.
+      To use it `install <https://github.com/mctools/ncrystal/wiki/Get-NCrystal>`_ and 
+      `initialize <https://github.com/mctools/ncrystal/wiki/Using-NCrystal#setting-up>`_
+      NCrystal and turn on the option in the CMake configuration step:
+
+          cmake -DOPENMC_USE_NCRYSTAL=on ..
+
     * libMesh_ mesh library framework for numerical simulations of partial differential equations
 
       This optional dependency enables support for unstructured mesh tally
@@ -294,6 +304,7 @@ Prerequisites
 .. _MOAB: https://bitbucket.org/fathomteam/moab
 .. _libMesh: https://libmesh.github.io/
 .. _libpng: http://www.libpng.org/pub/png/libpng.html
+.. _NCrystal: https://github.com/mctools/ncrystal
 
 Obtaining the Source
 --------------------
@@ -362,6 +373,12 @@ OPENMC_USE_DAGMC
   should also be defined as `DAGMC_ROOT` in the CMake configuration command.
   (Default: off)
 
+OPENMC_USE_NCRYSTAL
+  Turns on support for NCrystal materials. NCrystal must be 
+  `installed <https://github.com/mctools/ncrystal/wiki/Get-NCrystal>`_ and 
+  `initialized <https://github.com/mctools/ncrystal/wiki/Using-NCrystal#setting-up>`_.
+  (Default: off)
+
 OPENMC_USE_LIBMESH
   Enables the use of unstructured mesh tallies with libMesh_. (Default: off)
 

From 1f3c5ed6bc4b29259d300a0d9b0fac0decf0eff6 Mon Sep 17 00:00:00 2001
From: Jose Ignacio Marquez Damian <22483345+marquezj@users.noreply.github.com>
Date: Thu, 10 Nov 2022 13:04:47 -0300
Subject: [PATCH 1252/2654] Add use instructions and examples for NCrystal

---
 docs/source/usersguide/materials.rst | 37 ++++++++++++++++++++++++++++
 1 file changed, 37 insertions(+)

diff --git a/docs/source/usersguide/materials.rst b/docs/source/usersguide/materials.rst
index 8b43f1a2a..ab5a8c5af 100644
--- a/docs/source/usersguide/materials.rst
+++ b/docs/source/usersguide/materials.rst
@@ -101,6 +101,42 @@ you would need to add hydrogen and oxygen to a material and then assign the
 
 .. _usersguide_naming:
 
+------------------
+Adding NCrystal materials
+------------------
+
+Additional support for thermal scattering can be added by using NCrystal_.
+The :meth:`Material.from_ncrystal` class method generates a material object from
+an `NCrystal configuration string <https://github.com/mctools/ncrystal/wiki/Using-NCrystal#uniform-material-configuration-syntax>`_.
+Temperature, material composition and density are passed from the configuration string
+and the `NCMAT file <https://github.com/mctools/ncrystal/wiki/NCMAT-format>`_
+that define the material, e.g:
+
+::
+   
+   mat = openmc.Material.from_ncrystal('Al_sg225.ncmat')
+
+defines a material containing polycrystalline alumnium,
+
+::
+
+   mat = openmc.Material.from_ncrystal(""""Ge_sg227.ncmat;dcutoff=0.5;mos=40arcsec;
+                                           dir1=@crys_hkl:5,1,1@lab:0,0,1;
+                                           dir2=@crys_hkl:0,-1,1@lab:0,1,0""")
+
+defines an oriented germanium single crystal with 40 arcsec mosaicity.
+
+NCrystal only handles low energy neutron interactions. Other interaction are
+provided by standard ACE files. NCrystal_ comes with a `predefined library
+https://github.com/mctools/ncrystal/wiki/Data-library`_ but more materials can
+be added by creating NCMAT files or on-the-fly in the configuration string.
+
+.. warning:: Currently, NCrystal_ materials cannot be modified after created. 
+             Density, temperature and composition should be defined in the 
+             configuration string or the NCMAT file.
+
+.. _NCrystal: https://github.com/mctools/ncrystal
+
 ------------------
 Naming Conventions
 ------------------
@@ -222,3 +258,4 @@ been generated, you can tell OpenMC to use this file either by setting
    materials.cross_sections = '/path/to/cross_sections.xml'
 
 .. _MCNP: https://mcnp.lanl.gov/
+

From f6152d82505492c2a2fb14b4b1b7f56c7df29912 Mon Sep 17 00:00:00 2001
From: Ethan Peterson <ethan.peterson@mit.edu>
Date: Thu, 13 Oct 2022 16:28:20 -0400
Subject: [PATCH 1253/2654] working on other basis options

---
 openmc/model/surface_composite.py | 286 +++++++++++++++++++++++++++++-
 1 file changed, 285 insertions(+), 1 deletion(-)

diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index 4c76c7786..b8f952f19 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -1,7 +1,9 @@
 from abc import ABC, abstractmethod
 from copy import copy
-from math import sqrt, pi, sin, cos
+from math import sqrt, pi, sin, cos, isclose
 import numpy as np
+from scipy.spatial import ConvexHull, Delaunay
+from matplotlib.path import Path
 
 import openmc
 from openmc.checkvalue import check_greater_than, check_value
@@ -621,3 +623,285 @@ class ZConeOneSided(CompositeSurface):
 
     __neg__ = XConeOneSided.__neg__
     __pos__ = XConeOneSided.__pos__
+
+
+class Polygon(CompositeSurface):
+    """Create a polygon composite surface from connected points.
+
+    Parameters
+    ----------
+    points : np.ndarray (Nx2)
+        Points defining the vertices of the polygon.
+    basis : str, {'rz', 'xy', 'yz', 'xz'}, optional
+        2D basis set for the polygon.
+
+    Attributes
+    ----------
+    """
+    _basis_surface_map = {}
+    _basis_surface_map['xy'] = 2*(openmc.XPlane, openmc.YPlane)
+    _basis_surface_map['yz'] = 2*(openmc.YPlane, openmc.ZPlane)
+    _basis_surface_map['xz'] = 2*(openmc.XPlane, openmc.ZPlane)
+
+    def __init__(self, points, basis='rz'):
+        # If the last point is the same as the first remove it and order the
+        # vertices in a counter-clockwise sense.
+        if np.allclose(points[0, :], points[-1, :]):
+            points = points[:-1, :]
+        self._points = self.make_ccw(np.asarray(points, dtype=float))
+        self._basis = basis
+
+        # Create a triangulation and convex hull of the points. The
+        # Polygon region will be primarily defined by the intersection
+        # of the convex hull with the intersection of the complements of the
+        # simplices outside the polygon, but inside the convex hull.
+        self._tri = Delaunay(self._points, qhull_options='QJ')
+        self._convex_hull = ConvexHull(self._points)
+        self._convex_hull_surfs = self.get_convex_hull_surfs()
+
+        # Get centroids of all the simplices and determine if they are inside
+        # the polygon defined by input vertices or not. If they are not, they
+        # are added to the convex_subsets
+        centroids = np.mean(self._points[self._tri.simplices], axis=1)
+        path = Path(self._points)
+        in_polygon = np.array([path.contains_point(c) for c in centroids])
+        self._in_polygon = in_polygon
+        # Loop through simplices that aren't in the polygon and add them to the
+        # surfaces that need to be removed
+        self._surfs_to_remove = []
+        for simplex in self._tri.simplices[~in_polygon, :]:
+            qhull = ConvexHull(self._points[simplex, :])
+            idx = self.get_ordered_simplex_indices(qhull)
+            eqns = qhull.equations[idx, :]
+            self._surfs_to_remove.append(self.get_convex_hull_surfs(eqns))
+
+        # Set surface names as required by CompositeSurface protocol
+        surfnames = []
+        for i, (surf, _) in enumerate(self._convex_hull_surfs):
+            setattr(self, f'hull_surf_{i}', surf)
+            surfnames.append(f'hull_surf_{i}')
+
+        i = 0
+        for surfs_ops in self._surfs_to_remove:
+            for surf, _ in surfs_ops:
+                setattr(self, f'aux_surf_{i}', surf)
+                surfnames.append(f'aux_surf_{i}')
+                i += 1
+
+        self._surfnames = tuple(surfnames)
+
+    def __neg__(self):
+        # inside convex surface and outside all convex surfaces formed from
+        # concave points
+        return self.region
+
+    def __pos__(self):
+        # outside convex hull or inside one of the convex shapes formed from
+        # concave points
+        return ~self.region
+
+    @property
+    def _surface_names(self):
+        return self._surfnames
+
+    @property
+    def points(self):
+        return self._points
+
+    @property
+    def basis(self):
+        return self._basis
+
+    @property
+    def tangents(self):
+        return np.diff(self._points, axis=0, append=[self._points[0, :]])
+
+    @property
+    def normals(self):
+        rotation = np.array([[0, 1], [-1, 0]])
+        tangents = self.tangents
+        tangents /= np.linalg.norm(tangents, axis=-1, keepdims=True)
+        return rotation.dot(tangents.T).T
+
+    @property
+    def hull_points(self):
+        return self._points[self._convex_hull.vertices]
+
+    @property
+    def hull_tangents(self):
+        pts = self._points[self._convex_hull.vertices]
+        return np.diff(pts, axis=0, append=[pts[0, :]])
+
+    @property
+    def hull_equations(self):
+        idx = self.get_ordered_simplex_indices()
+        return self._convex_hull.equations[idx, :]
+
+    @property
+    def convex_hull_surfs(self):
+        return self._convex_hull_surfs
+
+    @property
+    def hull_region(self):
+        surfs_ops = self.convex_hull_surfs
+        regions = [getattr(surf, op)() for surf, op in surfs_ops]
+        return openmc.Intersection(regions)
+
+    @property
+    def region(self):
+        hull_reg = self.hull_region
+        surfs_ops_sets = self._surfs_to_remove
+        complements = []
+        for surfs_ops in surfs_ops_sets:
+            regions = [getattr(surf, op)() for surf, op in surfs_ops]
+            complements.append(~openmc.Intersection(regions))
+        return hull_reg & openmc.Intersection(complements)
+
+    def offset(self, distance):
+        """Offset this polygon by a set distance
+
+        Parameters
+        ----------
+        distance : float
+            The distance to offset the polygon by. Positive is outward
+            (expanding) and negative is inward (shrinking).
+
+
+        Returns
+        -------
+        offset_polygon : openmc.model.Polygon
+        """
+        points = self.points
+        normals = self.normals
+        normals = np.insert(normals, 0, normals[-1, :], axis=0)
+        ndotv1 = np.sum(normals[:-1, :]*(points + distance*normals[:-1, :]),
+                        axis=-1, keepdims=True)
+        ndotv2 = np.sum(normals[1:, :]*(points + distance*normals[1:, :]),
+                        axis=-1, keepdims=True)
+
+        new_points = np.empty_like(points)
+        denom = normals[:-1, 0]*normals[1:, 1] - normals[:-1, 1]*normals[1:, 0]
+        new_points[:, 0] = normals[1:, 1]*ndotv1.T - normals[:-1, 1]*ndotv2.T
+        new_points[:, 1] = -normals[1:, 0]*ndotv1.T + normals[:-1, 0]*ndotv2.T
+        new_points /= denom[:, None]
+
+        return type(self)(new_points, basis=self.basis)
+
+    def get_ordered_simplex_indices(self, qhull=None):
+        """Return simplex indices in same order as ConvexHull.vertices
+
+        Parameters
+        ----------
+        qhull : scipy.spatial.ConvexHull, optional
+            A ConvexHull object.
+
+        Returns
+        -------
+        idxlist : np.array of ordered simplex indices
+        """
+        qhull = self._convex_hull if qhull is None else qhull
+        idxlist = []
+        verts = qhull.vertices
+        nverts = len(verts)
+        simplices = qhull.simplices
+        for i in range(nverts):
+            next_i = (i + 1) % nverts
+            tmp_verts = [verts[i], verts[next_i]]
+            for j, simplex in enumerate(simplices):
+                if all(idx in simplex for idx in tmp_verts):
+                    idxlist.append(j)
+        return np.array(idxlist)
+
+    def get_convex_hull_surfs(self, hull_equations=None):
+        """Generate a list of surfaces given by a set of linear equations
+
+        Parameters
+        ----------
+        hull_equations : np.ndarray, optional
+            An Nx3 array where N is the number of facets (or sides) that represent
+            the equations and each row is given by (nx, ny, c) where (nx, ny) is
+            the unit vector normal to the facet and c is a constant such that the
+            surface described by the equation is n dot x + c = 0.
+
+        Returns
+        -------
+        surfs_ops : list of (surface, operator) tuples
+
+        """
+        hull_equations = self.hull_equations if hull_equations is None else \
+            hull_equations
+        # Collect surface/operator pairs such that the intersection of the
+        # regions defined by these pairs is the inside of the polygon.
+        surfs_ops = []
+        # hull facet equation: dx*x + dy*y + c = 0
+        for dx, dy, c in hull_equations:
+            # default to negative halfspace operator for inside the polygon
+            op = '__neg__'
+            # Check if the facet is horizontal
+            if isclose(dx, 0):
+                if self.basis in ('xz', 'yz', 'rz'):
+                    surf = openmc.ZPlane(z0=-c/dy)
+                else:
+                    surf = openmc.YPlane(y0=-c/dy)
+                # if (0, 1).(dx, dy) < 0 we want positive halfspace instead
+                if dy < 0:
+                    op = '__pos__'
+            # Check if the facet is vertical
+            elif isclose(dy, 0):
+                if self.basis in ('xy', 'xz'):
+                    surf = openmc.XPlane(x0=-c/dx)
+                elif self.basis == 'yz':
+                    surf = openmc.YPlane(y0=-c/dx)
+                else:
+                    surf = openmc.ZCylinder(r=-c/dx)
+                # if (1, 0).(dx, dy) < 0 we want positive halfspace instead
+                if dx < 0:
+                    op = '__pos__'
+            # Otherwise the facet is at an angle
+            else:
+                y0 = -c/dy
+                r2 = dy**2 / dx**2
+                # Check if the *slope* of the facet is positive
+                if dy / dx < 0:
+                    if self.basis == 'rz':
+                        surf = openmc.model.ZConeOneSided(z0=y0, r2=r2, up=True)
+                    else:
+                        raise NotImplementedError
+                    # if (1, -1).(dx, dy) < 0 we want positive halfspace instead
+                    if dx - dy < 0:
+                        op = '__pos__'
+                else:
+                    if self.basis == 'rz':
+                        surf = openmc.model.ZConeOneSided(z0=y0, r2=r2, up=False)
+                    else:
+                        raise NotImplementedError
+                    # if (1, 1).(dx, dy) < 0 we want positive halfspace instead
+                    if dx + dy < 0:
+                        op = '__pos__'
+
+            surfs_ops.append((surf, op))
+
+        return surfs_ops
+
+    def make_ccw(self, verts):
+        """Determine whether the vertices are ordered counter-clockwise
+
+        Parameters
+        ----------
+        verts : np.ndarray (Nx2)
+            An Nx2 array of coordinate pairs describing the vertices.
+
+
+        Returns
+        -------
+        bool : True if vertices are in counter-clockwise order. False otherwise.
+
+        """
+        vector = np.empty(verts.shape[0])
+        vector[:-1] = (verts[1:, 0] - verts[:-1, 0])*(verts[1:, 1] + verts[:-1, 1])
+        vector[-1] = (verts[0, 0] - verts[-1, 0])*(verts[0, 1] + verts[-1, 1])
+
+        if np.sum(vector) < 0:
+            return verts
+
+        return verts[::-1, :]

From aa7aab1768b28a8d87ef4a7b762a04598f145155 Mon Sep 17 00:00:00 2001
From: Ethan Peterson <ethan.peterson@mit.edu>
Date: Fri, 14 Oct 2022 15:38:27 -0400
Subject: [PATCH 1254/2654] method to break polygon into convex sets complete

---
 openmc/model/surface_composite.py | 311 +++++++++++++++++-------------
 1 file changed, 181 insertions(+), 130 deletions(-)

diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index b8f952f19..71f95c01c 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -638,17 +638,13 @@ class Polygon(CompositeSurface):
     Attributes
     ----------
     """
-    _basis_surface_map = {}
-    _basis_surface_map['xy'] = 2*(openmc.XPlane, openmc.YPlane)
-    _basis_surface_map['yz'] = 2*(openmc.YPlane, openmc.ZPlane)
-    _basis_surface_map['xz'] = 2*(openmc.XPlane, openmc.ZPlane)
 
     def __init__(self, points, basis='rz'):
         # If the last point is the same as the first remove it and order the
         # vertices in a counter-clockwise sense.
         if np.allclose(points[0, :], points[-1, :]):
             points = points[:-1, :]
-        self._points = self.make_ccw(np.asarray(points, dtype=float))
+        self._points = make_ccw(np.asarray(points, dtype=float))
         self._basis = basis
 
         # Create a triangulation and convex hull of the points. The
@@ -656,8 +652,6 @@ class Polygon(CompositeSurface):
         # of the convex hull with the intersection of the complements of the
         # simplices outside the polygon, but inside the convex hull.
         self._tri = Delaunay(self._points, qhull_options='QJ')
-        self._convex_hull = ConvexHull(self._points)
-        self._convex_hull_surfs = self.get_convex_hull_surfs()
 
         # Get centroids of all the simplices and determine if they are inside
         # the polygon defined by input vertices or not. If they are not, they
@@ -666,26 +660,35 @@ class Polygon(CompositeSurface):
         path = Path(self._points)
         in_polygon = np.array([path.contains_point(c) for c in centroids])
         self._in_polygon = in_polygon
-        # Loop through simplices that aren't in the polygon and add them to the
-        # surfaces that need to be removed
-        self._surfs_to_remove = []
-        for simplex in self._tri.simplices[~in_polygon, :]:
-            qhull = ConvexHull(self._points[simplex, :])
-            idx = self.get_ordered_simplex_indices(qhull)
-            eqns = qhull.equations[idx, :]
-            self._surfs_to_remove.append(self.get_convex_hull_surfs(eqns))
+
+        # ndict maps simplex indices to a list of their neighbors inside the
+        # polygon
+        ndict = {}
+        for i, nlist in enumerate(self._tri.neighbors):
+            if not in_polygon[i]:
+                continue
+            ndict[i] = [n for n in nlist if in_polygon[n] and n >=0]
+        #for key, value in ndict.items():
+        #    print(key, ' : ', value)
+
+        groups = group_wrapper(self._tri, ndict)
+        self._groups = groups
+        for g in groups:
+            print(g)
+
+        self._surfsets = []
+        for pts in get_ordered_points(self._tri, groups):
+            qhull = ConvexHull(pts)
+            surf_ops = get_convex_hull_surfs(qhull)
+            self._surfsets.append(surf_ops)
 
         # Set surface names as required by CompositeSurface protocol
         surfnames = []
-        for i, (surf, _) in enumerate(self._convex_hull_surfs):
-            setattr(self, f'hull_surf_{i}', surf)
-            surfnames.append(f'hull_surf_{i}')
-
         i = 0
-        for surfs_ops in self._surfs_to_remove:
+        for surfs_ops in self._surfsets:
             for surf, _ in surfs_ops:
-                setattr(self, f'aux_surf_{i}', surf)
-                surfnames.append(f'aux_surf_{i}')
+                setattr(self, f'surface_{i}', surf)
+                surfnames.append(f'surface_{i}')
                 i += 1
 
         self._surfnames = tuple(surfnames)
@@ -747,15 +750,18 @@ class Polygon(CompositeSurface):
         regions = [getattr(surf, op)() for surf, op in surfs_ops]
         return openmc.Intersection(regions)
 
+    @property
+    def regions(self):
+        regions = []
+        for surfs_ops in self._surfsets:
+            reg = openmc.Intersection([getattr(surf, op)() for surf, op in
+                                       surfs_ops])
+            regions.append(reg)
+        return regions
+
     @property
     def region(self):
-        hull_reg = self.hull_region
-        surfs_ops_sets = self._surfs_to_remove
-        complements = []
-        for surfs_ops in surfs_ops_sets:
-            regions = [getattr(surf, op)() for surf, op in surfs_ops]
-            complements.append(~openmc.Intersection(regions))
-        return hull_reg & openmc.Intersection(complements)
+        return openmc.Union(self.regions)
 
     def offset(self, distance):
         """Offset this polygon by a set distance
@@ -787,121 +793,166 @@ class Polygon(CompositeSurface):
 
         return type(self)(new_points, basis=self.basis)
 
-    def get_ordered_simplex_indices(self, qhull=None):
-        """Return simplex indices in same order as ConvexHull.vertices
+def get_ordered_simplex_indices(qhull):
+    """Return simplex indices in same order as ConvexHull.vertices
 
-        Parameters
-        ----------
-        qhull : scipy.spatial.ConvexHull, optional
-            A ConvexHull object.
+    Parameters
+    ----------
+    qhull : scipy.spatial.ConvexHull, optional
+        A ConvexHull object.
 
-        Returns
-        -------
-        idxlist : np.array of ordered simplex indices
-        """
-        qhull = self._convex_hull if qhull is None else qhull
-        idxlist = []
-        verts = qhull.vertices
-        nverts = len(verts)
-        simplices = qhull.simplices
-        for i in range(nverts):
-            next_i = (i + 1) % nverts
-            tmp_verts = [verts[i], verts[next_i]]
-            for j, simplex in enumerate(simplices):
-                if all(idx in simplex for idx in tmp_verts):
-                    idxlist.append(j)
-        return np.array(idxlist)
+    Returns
+    -------
+    idxlist : np.array of ordered simplex indices
+    """
+    idxlist = []
+    verts = qhull.vertices
+    nverts = len(verts)
+    simplices = qhull.simplices
+    for i in range(nverts):
+        next_i = (i + 1) % nverts
+        tmp_verts = [verts[i], verts[next_i]]
+        for j, simplex in enumerate(simplices):
+            if all(idx in simplex for idx in tmp_verts):
+                idxlist.append(j)
+    return np.array(idxlist)
 
-    def get_convex_hull_surfs(self, hull_equations=None):
-        """Generate a list of surfaces given by a set of linear equations
+def get_convex_hull_surfs(qhull, basis='rz'):
+    """Generate a list of surfaces given by a set of linear equations
 
-        Parameters
-        ----------
-        hull_equations : np.ndarray, optional
-            An Nx3 array where N is the number of facets (or sides) that represent
-            the equations and each row is given by (nx, ny, c) where (nx, ny) is
-            the unit vector normal to the facet and c is a constant such that the
-            surface described by the equation is n dot x + c = 0.
+    Parameters
+    ----------
+    hull_equations : np.ndarray, optional
+        An Nx3 array where N is the number of facets (or sides) that represent
+        the equations and each row is given by (nx, ny, c) where (nx, ny) is
+        the unit vector normal to the facet and c is a constant such that the
+        surface described by the equation is n dot x + c = 0.
 
-        Returns
-        -------
-        surfs_ops : list of (surface, operator) tuples
+    Returns
+    -------
+    surfs_ops : list of (surface, operator) tuples
 
-        """
-        hull_equations = self.hull_equations if hull_equations is None else \
-            hull_equations
-        # Collect surface/operator pairs such that the intersection of the
-        # regions defined by these pairs is the inside of the polygon.
-        surfs_ops = []
-        # hull facet equation: dx*x + dy*y + c = 0
-        for dx, dy, c in hull_equations:
-            # default to negative halfspace operator for inside the polygon
-            op = '__neg__'
-            # Check if the facet is horizontal
-            if isclose(dx, 0):
-                if self.basis in ('xz', 'yz', 'rz'):
-                    surf = openmc.ZPlane(z0=-c/dy)
-                else:
-                    surf = openmc.YPlane(y0=-c/dy)
-                # if (0, 1).(dx, dy) < 0 we want positive halfspace instead
-                if dy < 0:
-                    op = '__pos__'
-            # Check if the facet is vertical
-            elif isclose(dy, 0):
-                if self.basis in ('xy', 'xz'):
-                    surf = openmc.XPlane(x0=-c/dx)
-                elif self.basis == 'yz':
-                    surf = openmc.YPlane(y0=-c/dx)
-                else:
-                    surf = openmc.ZCylinder(r=-c/dx)
-                # if (1, 0).(dx, dy) < 0 we want positive halfspace instead
-                if dx < 0:
-                    op = '__pos__'
-            # Otherwise the facet is at an angle
+    """
+    idx = get_ordered_simplex_indices(qhull)
+    hull_equations = qhull.equations[idx, :]
+    # Collect surface/operator pairs such that the intersection of the
+    # regions defined by these pairs is the inside of the polygon.
+    surfs_ops = []
+    # hull facet equation: dx*x + dy*y + c = 0
+    for dx, dy, c in hull_equations:
+        # default to negative halfspace operator for inside the polygon
+        op = '__neg__'
+        # Check if the facet is horizontal
+        if isclose(dx, 0):
+            if basis in ('xz', 'yz', 'rz'):
+                surf = openmc.ZPlane(z0=-c/dy)
             else:
-                y0 = -c/dy
-                r2 = dy**2 / dx**2
-                # Check if the *slope* of the facet is positive
-                if dy / dx < 0:
-                    if self.basis == 'rz':
-                        surf = openmc.model.ZConeOneSided(z0=y0, r2=r2, up=True)
-                    else:
-                        raise NotImplementedError
-                    # if (1, -1).(dx, dy) < 0 we want positive halfspace instead
-                    if dx - dy < 0:
-                        op = '__pos__'
+                surf = openmc.YPlane(y0=-c/dy)
+            # if (0, 1).(dx, dy) < 0 we want positive halfspace instead
+            if dy < 0:
+                op = '__pos__'
+        # Check if the facet is vertical
+        elif isclose(dy, 0):
+            if basis in ('xy', 'xz'):
+                surf = openmc.XPlane(x0=-c/dx)
+            elif basis == 'yz':
+                surf = openmc.YPlane(y0=-c/dx)
+            else:
+                surf = openmc.ZCylinder(r=-c/dx)
+            # if (1, 0).(dx, dy) < 0 we want positive halfspace instead
+            if dx < 0:
+                op = '__pos__'
+        # Otherwise the facet is at an angle
+        else:
+            y0 = -c/dy
+            r2 = dy**2 / dx**2
+            # Check if the *slope* of the facet is positive
+            if dy / dx < 0:
+                if basis == 'rz':
+                    surf = openmc.model.ZConeOneSided(z0=y0, r2=r2, up=True)
                 else:
-                    if self.basis == 'rz':
-                        surf = openmc.model.ZConeOneSided(z0=y0, r2=r2, up=False)
-                    else:
-                        raise NotImplementedError
-                    # if (1, 1).(dx, dy) < 0 we want positive halfspace instead
-                    if dx + dy < 0:
-                        op = '__pos__'
+                    raise NotImplementedError
+                # if (1, -1).(dx, dy) < 0 we want positive halfspace instead
+                if dx - dy < 0:
+                    op = '__pos__'
+            else:
+                if basis == 'rz':
+                    surf = openmc.model.ZConeOneSided(z0=y0, r2=r2, up=False)
+                else:
+                    raise NotImplementedError
+                # if (1, 1).(dx, dy) < 0 we want positive halfspace instead
+                if dx + dy < 0:
+                    op = '__pos__'
 
-            surfs_ops.append((surf, op))
+        surfs_ops.append((surf, op))
 
-        return surfs_ops
+    return surfs_ops
 
-    def make_ccw(self, verts):
-        """Determine whether the vertices are ordered counter-clockwise
+def make_ccw(verts):
+    """Determine whether the vertices are ordered counter-clockwise
 
-        Parameters
-        ----------
-        verts : np.ndarray (Nx2)
-            An Nx2 array of coordinate pairs describing the vertices.
+    Parameters
+    ----------
+    verts : np.ndarray (Nx2)
+        An Nx2 array of coordinate pairs describing the vertices.
 
 
-        Returns
-        -------
-        bool : True if vertices are in counter-clockwise order. False otherwise.
+    Returns
+    -------
+    bool : True if vertices are in counter-clockwise order. False otherwise.
 
-        """
-        vector = np.empty(verts.shape[0])
-        vector[:-1] = (verts[1:, 0] - verts[:-1, 0])*(verts[1:, 1] + verts[:-1, 1])
-        vector[-1] = (verts[0, 0] - verts[-1, 0])*(verts[0, 1] + verts[-1, 1])
+    """
+    vector = np.empty(verts.shape[0])
+    vector[:-1] = (verts[1:, 0] - verts[:-1, 0])*(verts[1:, 1] + verts[:-1, 1])
+    vector[-1] = (verts[0, 0] - verts[-1, 0])*(verts[0, 1] + verts[-1, 1])
 
-        if np.sum(vector) < 0:
-            return verts
+    if np.sum(vector) < 0:
+        return verts
 
-        return verts[::-1, :]
+    return verts[::-1, :]
+
+
+def get_ordered_points(tri, groups):
+    points = []
+    for g in groups:
+        idx = np.unique(tri.simplices[g, :])
+        qhull = ConvexHull(tri.points[idx, :])
+        points.append(qhull.points[qhull.vertices, :])
+    return points
+
+def group_wrapper(tri, simp_dict):
+    groups = []
+    while simp_dict:
+        groups.append(group_simplices(tri, simp_dict))
+    return groups
+
+def group_simplices(tri, simp_dict, group=None):
+    """Generate a list of convex subsets"""
+    # If dictionary is empty there's nothing left to do
+    if not simp_dict:
+        return group
+    # If group is empty grab the next simplex in the dictionary and recurse
+    if group is None:
+        sidx = next(iter(simp_dict))
+        return group_simplices(tri, simp_dict, group=[sidx])
+    # Otherwise use the last simplex in the group 
+    else:
+        # Remove current simplex from dictionary since it is in a group
+        sidx = group[-1]
+        neighbors = simp_dict.pop(sidx, [])
+        # For each neighbor check if it is part of the same convex
+        # hull as the rest of the group. If yes, recurse. If no, continue on.
+        for n in neighbors:
+            if n in group or simp_dict.get(n, None) is None:
+                continue
+            test_group = group + [n]
+            #print('group :', group)
+            #print('test_group :', test_group)
+            test_point_idx = np.unique(tri.simplices[test_group, :])
+            test_points = tri.points[test_point_idx]
+            if is_convex(test_points):
+                group = group_simplices(tri, simp_dict, group=test_group)
+        return group
+
+def is_convex(points):
+    return len(points) == len(ConvexHull(points).vertices)

From f6f2ed7b171c763d089550fec7ad7c80bef7c876 Mon Sep 17 00:00:00 2001
From: Ethan Peterson <ethan.peterson@mit.edu>
Date: Sat, 15 Oct 2022 17:56:54 -0400
Subject: [PATCH 1255/2654] got other basis sets working

---
 openmc/model/surface_composite.py | 75 ++++++++++++++++---------------
 1 file changed, 38 insertions(+), 37 deletions(-)

diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index 71f95c01c..b0c83b205 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -626,17 +626,21 @@ class ZConeOneSided(CompositeSurface):
 
 
 class Polygon(CompositeSurface):
-    """Create a polygon composite surface from connected points.
+    """Create a polygon composite surface from a path of closed points.
 
     Parameters
     ----------
-    points : np.ndarray (Nx2)
-        Points defining the vertices of the polygon.
+    points : np.ndarray
+        An Nx2 array of points defining the vertices of the polygon.
     basis : str, {'rz', 'xy', 'yz', 'xz'}, optional
         2D basis set for the polygon.
 
     Attributes
     ----------
+    points : np.ndarray
+        An Nx2 array of points defining the vertices of the polygon.
+    basis : str, {'rz', 'xy', 'yz', 'xz'}
+        2D basis set for the polygon.
     """
 
     def __init__(self, points, basis='rz'):
@@ -644,24 +648,24 @@ class Polygon(CompositeSurface):
         # vertices in a counter-clockwise sense.
         if np.allclose(points[0, :], points[-1, :]):
             points = points[:-1, :]
+
+        # TODO check if path is self intersecting, throw error if yes
         self._points = make_ccw(np.asarray(points, dtype=float))
+        check_value('basis', basis, ('xy', 'yz', 'xz', 'rz'))
         self._basis = basis
 
-        # Create a triangulation and convex hull of the points. The
-        # Polygon region will be primarily defined by the intersection
-        # of the convex hull with the intersection of the complements of the
-        # simplices outside the polygon, but inside the convex hull.
+        # Create a triangulation of the points.
         self._tri = Delaunay(self._points, qhull_options='QJ')
 
         # Get centroids of all the simplices and determine if they are inside
-        # the polygon defined by input vertices or not. If they are not, they
-        # are added to the convex_subsets
+        # the polygon defined by input vertices or not.
         centroids = np.mean(self._points[self._tri.simplices], axis=1)
         path = Path(self._points)
         in_polygon = np.array([path.contains_point(c) for c in centroids])
         self._in_polygon = in_polygon
 
-        # ndict maps simplex indices to a list of their neighbors inside the
+        # Build a map with keys of simplex indices inside the polygon whose
+        # values are lists of that simplex's neighbors inside the
         # polygon
         ndict = {}
         for i, nlist in enumerate(self._tri.neighbors):
@@ -679,7 +683,7 @@ class Polygon(CompositeSurface):
         self._surfsets = []
         for pts in get_ordered_points(self._tri, groups):
             qhull = ConvexHull(pts)
-            surf_ops = get_convex_hull_surfs(qhull)
+            surf_ops = get_convex_hull_surfs(qhull, basis=self.basis)
             self._surfsets.append(surf_ops)
 
         # Set surface names as required by CompositeSurface protocol
@@ -809,9 +813,8 @@ def get_ordered_simplex_indices(qhull):
     verts = qhull.vertices
     nverts = len(verts)
     simplices = qhull.simplices
-    for i in range(nverts):
-        next_i = (i + 1) % nverts
-        tmp_verts = [verts[i], verts[next_i]]
+    for i, vert in enumerate(verts):
+        tmp_verts = [vert, verts[(i + 1) % nverts]]
         for j, simplex in enumerate(simplices):
             if all(idx in simplex for idx in tmp_verts):
                 idxlist.append(j)
@@ -835,13 +838,12 @@ def get_convex_hull_surfs(qhull, basis='rz'):
     """
     idx = get_ordered_simplex_indices(qhull)
     hull_equations = qhull.equations[idx, :]
+    check_value('basis', basis, ('xy', 'yz', 'xz', 'rz'))
     # Collect surface/operator pairs such that the intersection of the
     # regions defined by these pairs is the inside of the polygon.
     surfs_ops = []
     # hull facet equation: dx*x + dy*y + c = 0
     for dx, dy, c in hull_equations:
-        # default to negative halfspace operator for inside the polygon
-        op = '__neg__'
         # Check if the facet is horizontal
         if isclose(dx, 0):
             if basis in ('xz', 'yz', 'rz'):
@@ -849,8 +851,7 @@ def get_convex_hull_surfs(qhull, basis='rz'):
             else:
                 surf = openmc.YPlane(y0=-c/dy)
             # if (0, 1).(dx, dy) < 0 we want positive halfspace instead
-            if dy < 0:
-                op = '__pos__'
+            op = '__pos__' if dy < 0 else '__neg__'
         # Check if the facet is vertical
         elif isclose(dy, 0):
             if basis in ('xy', 'xz'):
@@ -860,29 +861,29 @@ def get_convex_hull_surfs(qhull, basis='rz'):
             else:
                 surf = openmc.ZCylinder(r=-c/dx)
             # if (1, 0).(dx, dy) < 0 we want positive halfspace instead
-            if dx < 0:
-                op = '__pos__'
+            op = '__pos__' if dx < 0 else '__neg__'
         # Otherwise the facet is at an angle
         else:
-            y0 = -c/dy
-            r2 = dy**2 / dx**2
-            # Check if the *slope* of the facet is positive
-            if dy / dx < 0:
-                if basis == 'rz':
-                    surf = openmc.model.ZConeOneSided(z0=y0, r2=r2, up=True)
-                else:
-                    raise NotImplementedError
-                # if (1, -1).(dx, dy) < 0 we want positive halfspace instead
-                if dx - dy < 0:
-                    op = '__pos__'
+            op = '__neg__'
+            if basis == 'xy':
+                surf = openmc.Plane(a=dx, b=dy, d=-c)
+            elif basis == 'yz':
+                surf = openmc.Plane(b=dx, c=dy, d=-c)
+            elif basis == 'xz':
+                surf = openmc.Plane(a=dx, c=dy, d=-c)
             else:
-                if basis == 'rz':
-                    surf = openmc.model.ZConeOneSided(z0=y0, r2=r2, up=False)
-                else:
-                    raise NotImplementedError
-                # if (1, 1).(dx, dy) < 0 we want positive halfspace instead
-                if dx + dy < 0:
+                y0 = -c/dy
+                r2 = dy**2 / dx**2
+                # Check if the *slope* of the facet is positive. If dy/dx < 0
+                # then we want up to be True for the one-sided cones.
+                up = dy / dx < 0
+                surf = openmc.model.ZConeOneSided(z0=y0, r2=r2, up=up)
+                # if (1, -1).(dx, dy) < 0 for up cones we want positive halfspace
+                # if (1, 1).(dx, dy) < 0 for down cones we want positive halfspace
+                if (up and dx - dy < 0) or (not up and dx + dy < 0):
                     op = '__pos__'
+                else:
+                    op = '__neg__'
 
         surfs_ops.append((surf, op))
 

From 3fe2bf4cb650dab3c4ab76da258d587923520c41 Mon Sep 17 00:00:00 2001
From: Ethan Peterson <ethan.peterson@mit.edu>
Date: Sat, 15 Oct 2022 18:22:47 -0400
Subject: [PATCH 1256/2654] cleaning up unnecessary methods

---
 openmc/model/surface_composite.py | 66 +++++++------------------------
 1 file changed, 15 insertions(+), 51 deletions(-)

diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index b0c83b205..72c625ba9 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -660,26 +660,24 @@ class Polygon(CompositeSurface):
         # Get centroids of all the simplices and determine if they are inside
         # the polygon defined by input vertices or not.
         centroids = np.mean(self._points[self._tri.simplices], axis=1)
-        path = Path(self._points)
-        in_polygon = np.array([path.contains_point(c) for c in centroids])
+        in_polygon = Path(self._points).contains_points(centroids)
         self._in_polygon = in_polygon
 
         # Build a map with keys of simplex indices inside the polygon whose
-        # values are lists of that simplex's neighbors inside the
+        # values are lists of that simplex's neighbors also inside the
         # polygon
         ndict = {}
         for i, nlist in enumerate(self._tri.neighbors):
             if not in_polygon[i]:
                 continue
             ndict[i] = [n for n in nlist if in_polygon[n] and n >=0]
-        #for key, value in ndict.items():
-        #    print(key, ' : ', value)
 
+        # Get the groups of simplices forming convex polygons whose union
+        # comprises the full input polygon.
         groups = group_wrapper(self._tri, ndict)
         self._groups = groups
-        for g in groups:
-            print(g)
 
+        # Get the sets of surface, operator pairs defining the polygon
         self._surfsets = []
         for pts in get_ordered_points(self._tri, groups):
             qhull = ConvexHull(pts)
@@ -698,14 +696,10 @@ class Polygon(CompositeSurface):
         self._surfnames = tuple(surfnames)
 
     def __neg__(self):
-        # inside convex surface and outside all convex surfaces formed from
-        # concave points
-        return self.region
+        return self._region
 
     def __pos__(self):
-        # outside convex hull or inside one of the convex shapes formed from
-        # concave points
-        return ~self.region
+        return ~self._region
 
     @property
     def _surface_names(self):
@@ -720,52 +714,22 @@ class Polygon(CompositeSurface):
         return self._basis
 
     @property
-    def tangents(self):
-        return np.diff(self._points, axis=0, append=[self._points[0, :]])
-
-    @property
-    def normals(self):
+    def _normals(self):
         rotation = np.array([[0, 1], [-1, 0]])
-        tangents = self.tangents
+        tangents = np.diff(self._points, axis=0, append=[self._points[0, :]])
         tangents /= np.linalg.norm(tangents, axis=-1, keepdims=True)
         return rotation.dot(tangents.T).T
 
     @property
-    def hull_points(self):
-        return self._points[self._convex_hull.vertices]
-
-    @property
-    def hull_tangents(self):
-        pts = self._points[self._convex_hull.vertices]
-        return np.diff(pts, axis=0, append=[pts[0, :]])
-
-    @property
-    def hull_equations(self):
-        idx = self.get_ordered_simplex_indices()
-        return self._convex_hull.equations[idx, :]
-
-    @property
-    def convex_hull_surfs(self):
-        return self._convex_hull_surfs
-
-    @property
-    def hull_region(self):
-        surfs_ops = self.convex_hull_surfs
-        regions = [getattr(surf, op)() for surf, op in surfs_ops]
-        return openmc.Intersection(regions)
-
-    @property
-    def regions(self):
+    def _regions(self):
         regions = []
         for surfs_ops in self._surfsets:
-            reg = openmc.Intersection([getattr(surf, op)() for surf, op in
-                                       surfs_ops])
-            regions.append(reg)
-        return regions
+            regions.append([getattr(surf, op)() for surf, op in surfs_ops])
+        return [openmc.Intersection(regs) for regs in regions]
 
     @property
-    def region(self):
-        return openmc.Union(self.regions)
+    def _region(self):
+        return openmc.Union(self._regions)
 
     def offset(self, distance):
         """Offset this polygon by a set distance
@@ -782,7 +746,7 @@ class Polygon(CompositeSurface):
         offset_polygon : openmc.model.Polygon
         """
         points = self.points
-        normals = self.normals
+        normals = self._normals
         normals = np.insert(normals, 0, normals[-1, :], axis=0)
         ndotv1 = np.sum(normals[:-1, :]*(points + distance*normals[:-1, :]),
                         axis=-1, keepdims=True)

From a26dcc65b728b297d2e1cf09b1069784ad78902f Mon Sep 17 00:00:00 2001
From: Ethan Peterson <ethan.peterson@mit.edu>
Date: Sun, 16 Oct 2022 21:38:29 -0400
Subject: [PATCH 1257/2654] cleaning up/consolidating functions

---
 openmc/model/surface_composite.py | 181 ++++++++++++++++--------------
 1 file changed, 95 insertions(+), 86 deletions(-)

diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index 72c625ba9..2036950f5 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -657,38 +657,17 @@ class Polygon(CompositeSurface):
         # Create a triangulation of the points.
         self._tri = Delaunay(self._points, qhull_options='QJ')
 
-        # Get centroids of all the simplices and determine if they are inside
-        # the polygon defined by input vertices or not.
-        centroids = np.mean(self._points[self._tri.simplices], axis=1)
-        in_polygon = Path(self._points).contains_points(centroids)
-        self._in_polygon = in_polygon
+        # Decompose the polygon into groups of simplices forming convex subsets
+        self._groups = self._decompose_polygon_into_convex_sets()
 
-        # Build a map with keys of simplex indices inside the polygon whose
-        # values are lists of that simplex's neighbors also inside the
-        # polygon
-        ndict = {}
-        for i, nlist in enumerate(self._tri.neighbors):
-            if not in_polygon[i]:
-                continue
-            ndict[i] = [n for n in nlist if in_polygon[n] and n >=0]
-
-        # Get the groups of simplices forming convex polygons whose union
-        # comprises the full input polygon.
-        groups = group_wrapper(self._tri, ndict)
-        self._groups = groups
-
-        # Get the sets of surface, operator pairs defining the polygon
-        self._surfsets = []
-        for pts in get_ordered_points(self._tri, groups):
-            qhull = ConvexHull(pts)
-            surf_ops = get_convex_hull_surfs(qhull, basis=self.basis)
-            self._surfsets.append(surf_ops)
+        # Get the sets of (surface, operator) pairs defining the polygon
+        self._surfsets = self._get_surfsets()
 
         # Set surface names as required by CompositeSurface protocol
         surfnames = []
         i = 0
-        for surfs_ops in self._surfsets:
-            for surf, _ in surfs_ops:
+        for surfset in self._surfsets:
+            for surf, op in surfset:
                 setattr(self, f'surface_{i}', surf)
                 surfnames.append(f'surface_{i}')
                 i += 1
@@ -715,6 +694,7 @@ class Polygon(CompositeSurface):
 
     @property
     def _normals(self):
+        """Generate the outward normal unit vectors for the polygon."""
         rotation = np.array([[0, 1], [-1, 0]])
         tangents = np.diff(self._points, axis=0, append=[self._points[0, :]])
         tangents /= np.linalg.norm(tangents, axis=-1, keepdims=True)
@@ -722,6 +702,7 @@ class Polygon(CompositeSurface):
 
     @property
     def _regions(self):
+        """Generate a list of regions whose union represents the polygon."""
         regions = []
         for surfs_ops in self._surfsets:
             regions.append([getattr(surf, op)() for surf, op in surfs_ops])
@@ -731,6 +712,57 @@ class Polygon(CompositeSurface):
     def _region(self):
         return openmc.Union(self._regions)
 
+    def _decompose_polygon_into_convex_sets(self):
+        """Decompose the Polygon into a set of convex polygons.
+
+        Returns
+        -------
+        list of sets of simplices
+        """
+
+        # Get centroids of all the simplices and determine if they are inside
+        # the polygon defined by input vertices or not.
+        centroids = np.mean(self._points[self._tri.simplices], axis=1)
+        in_polygon = Path(self._points).contains_points(centroids)
+        self._in_polygon = in_polygon
+
+        # Build a map with keys of simplex indices inside the polygon whose
+        # values are lists of that simplex's neighbors also inside the
+        # polygon
+        neighbor_map = {}
+        for i, nlist in enumerate(self._tri.neighbors):
+            if not in_polygon[i]:
+                continue
+            neighbor_map[i] = [n for n in nlist if in_polygon[n] and n >=0]
+
+        # Get the groups of simplices forming convex polygons whose union
+        # comprises the full input polygon. While there are still simplices
+        # left in the neighbor map, group them together into convex sets.
+        groups = []
+        while neighbor_map:
+            groups.append(group_simplices(self._tri, neighbor_map))
+
+        return groups
+
+    def _get_surfsets(self):
+        """Generate lists of surface, operator pairs for the sub-polygons.
+
+        Returns
+        -------
+        surfsets : a list of lists of surface, operator pairs
+        """
+
+        surfsets = []
+        for g in self._groups:
+            # Find all the unique points in the convex group of simplices,
+            # generate the convex hull and find the resulting surfaces and
+            # unary operators that represent this convex subset of the polygon.
+            idx = np.unique(self._tri.simplices[g, :])
+            qhull = ConvexHull(self._tri.points[idx, :])
+            surf_ops = get_convex_hull_surfs(qhull, basis=self.basis)
+            surfsets.append(surf_ops)
+        return surfsets
+
     def offset(self, distance):
         """Offset this polygon by a set distance
 
@@ -745,6 +777,8 @@ class Polygon(CompositeSurface):
         -------
         offset_polygon : openmc.model.Polygon
         """
+        # Get the points of the polygon and outward normals such that
+        # normals[i] corresponds to the edge between points[i-1] and points[i]
         points = self.points
         normals = self._normals
         normals = np.insert(normals, 0, normals[-1, :], axis=0)
@@ -761,53 +795,28 @@ class Polygon(CompositeSurface):
 
         return type(self)(new_points, basis=self.basis)
 
-def get_ordered_simplex_indices(qhull):
-    """Return simplex indices in same order as ConvexHull.vertices
-
-    Parameters
-    ----------
-    qhull : scipy.spatial.ConvexHull, optional
-        A ConvexHull object.
-
-    Returns
-    -------
-    idxlist : np.array of ordered simplex indices
-    """
-    idxlist = []
-    verts = qhull.vertices
-    nverts = len(verts)
-    simplices = qhull.simplices
-    for i, vert in enumerate(verts):
-        tmp_verts = [vert, verts[(i + 1) % nverts]]
-        for j, simplex in enumerate(simplices):
-            if all(idx in simplex for idx in tmp_verts):
-                idxlist.append(j)
-    return np.array(idxlist)
 
 def get_convex_hull_surfs(qhull, basis='rz'):
     """Generate a list of surfaces given by a set of linear equations
 
     Parameters
     ----------
-    hull_equations : np.ndarray, optional
-        An Nx3 array where N is the number of facets (or sides) that represent
-        the equations and each row is given by (nx, ny, c) where (nx, ny) is
-        the unit vector normal to the facet and c is a constant such that the
-        surface described by the equation is n dot x + c = 0.
+    qhull : scipy.spatial.ConvexHull
+        A ConvexHull object representing the sub-region of the polygon.
+    basis : str, {'rz', 'xy', 'yz', 'xz'}, optional
+        2D basis set for the polygon.
 
     Returns
     -------
     surfs_ops : list of (surface, operator) tuples
 
     """
-    idx = get_ordered_simplex_indices(qhull)
-    hull_equations = qhull.equations[idx, :]
     check_value('basis', basis, ('xy', 'yz', 'xz', 'rz'))
     # Collect surface/operator pairs such that the intersection of the
     # regions defined by these pairs is the inside of the polygon.
     surfs_ops = []
     # hull facet equation: dx*x + dy*y + c = 0
-    for dx, dy, c in hull_equations:
+    for dx, dy, c in qhull.equations:
         # Check if the facet is horizontal
         if isclose(dx, 0):
             if basis in ('xz', 'yz', 'rz'):
@@ -853,6 +862,7 @@ def get_convex_hull_surfs(qhull, basis='rz'):
 
     return surfs_ops
 
+
 def make_ccw(verts):
     """Determine whether the vertices are ordered counter-clockwise
 
@@ -877,47 +887,46 @@ def make_ccw(verts):
     return verts[::-1, :]
 
 
-def get_ordered_points(tri, groups):
-    points = []
-    for g in groups:
-        idx = np.unique(tri.simplices[g, :])
-        qhull = ConvexHull(tri.points[idx, :])
-        points.append(qhull.points[qhull.vertices, :])
-    return points
+def group_simplices(tri, neighbor_map, group=None):
+    """Generate a list of convex groups of simplices.
 
-def group_wrapper(tri, simp_dict):
-    groups = []
-    while simp_dict:
-        groups.append(group_simplices(tri, simp_dict))
-    return groups
+    Parameters
+    ----------
+    tri : scipy.spatial.Delaunay
+        A Delaunay triangulation of points generated from the polygon.
+    neighbor_map : dict
+        A map whose keys are simplex indices for simplices inside the polygon
+        and whose values are a list of simplex indices that neighbor this
+        simplex and are also inside the polygon.
+    group : list
+        A list of simplex indices that comprise the current convex group.
 
-def group_simplices(tri, simp_dict, group=None):
-    """Generate a list of convex subsets"""
-    # If dictionary is empty there's nothing left to do
-    if not simp_dict:
+    Returns
+    -------
+    group : list
+        The list of simplex indices that comprise the complete convex group.
+    """
+    # If neighbor_map is empty there's nothing left to do
+    if not neighbor_map:
         return group
-    # If group is empty grab the next simplex in the dictionary and recurse
+    # If group is empty, grab the next simplex in the dictionary and recurse
     if group is None:
-        sidx = next(iter(simp_dict))
-        return group_simplices(tri, simp_dict, group=[sidx])
+        sidx = next(iter(neighbor_map))
+        return group_simplices(tri, neighbor_map, group=[sidx])
     # Otherwise use the last simplex in the group 
     else:
-        # Remove current simplex from dictionary since it is in a group
         sidx = group[-1]
-        neighbors = simp_dict.pop(sidx, [])
+        # Remove current simplex from dictionary since it is in a group
+        neighbors = neighbor_map.pop(sidx, [])
         # For each neighbor check if it is part of the same convex
         # hull as the rest of the group. If yes, recurse. If no, continue on.
         for n in neighbors:
-            if n in group or simp_dict.get(n, None) is None:
+            if n in group or neighbor_map.get(n, None) is None:
                 continue
             test_group = group + [n]
-            #print('group :', group)
-            #print('test_group :', test_group)
             test_point_idx = np.unique(tri.simplices[test_group, :])
             test_points = tri.points[test_point_idx]
-            if is_convex(test_points):
-                group = group_simplices(tri, simp_dict, group=test_group)
+            # If test_points are convex keep adding to this group
+            if len(test_points) == len(ConvexHull(test_points).vertices):
+                group = group_simplices(tri, neighbor_map, group=test_group)
         return group
-
-def is_convex(points):
-    return len(points) == len(ConvexHull(points).vertices)

From bf58a46a9cc79e6d52cb84f3fbc9ba6ddc93077c Mon Sep 17 00:00:00 2001
From: Ethan Peterson <ethan.peterson@mit.edu>
Date: Tue, 18 Oct 2022 14:56:26 -0400
Subject: [PATCH 1258/2654] cleaning up and moving all methods to instance
 methods rather than module

---
 openmc/model/surface_composite.py          | 319 ++++++++++-----------
 tests/unit_tests/test_surface_composite.py |   4 +
 2 files changed, 151 insertions(+), 172 deletions(-)

diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index 2036950f5..258a7bae7 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -6,7 +6,8 @@ from scipy.spatial import ConvexHull, Delaunay
 from matplotlib.path import Path
 
 import openmc
-from openmc.checkvalue import check_greater_than, check_value
+from openmc.checkvalue import (check_greater_than, check_value,
+                               check_iterable_type, check_length)
 
 
 class CompositeSurface(ABC):
@@ -641,27 +642,34 @@ class Polygon(CompositeSurface):
         An Nx2 array of points defining the vertices of the polygon.
     basis : str, {'rz', 'xy', 'yz', 'xz'}
         2D basis set for the polygon.
+    regions : list of openmc.Region
+        A list of openmc.Region objects, one for each of the convex polygons
+        formed during the decomposition of the input polygon.
+    region : openmc.Union
+        The union of all the regions comprising the polygon.
     """
 
     def __init__(self, points, basis='rz'):
-        # If the last point is the same as the first remove it and order the
-        # vertices in a counter-clockwise sense.
-        if np.allclose(points[0, :], points[-1, :]):
-            points = points[:-1, :]
-
-        # TODO check if path is self intersecting, throw error if yes
-        self._points = make_ccw(np.asarray(points, dtype=float))
         check_value('basis', basis, ('xy', 'yz', 'xz', 'rz'))
         self._basis = basis
+        points = np.asarray(points, dtype=float)
+        check_iterable_type('points', points, float, min_depth=2, max_depth=2)
+        check_length('points', points[0, :], 2, 2)
+
+        # If the last point is the same as the first, remove it and make sure
+        # there are still at least 3 points for a valid polygon.
+        if np.allclose(points[0, :], points[-1, :]):
+            points = points[:-1, :]
+        check_length('points', points, 3)
+
+        self._points = points
 
         # Create a triangulation of the points.
         self._tri = Delaunay(self._points, qhull_options='QJ')
 
         # Decompose the polygon into groups of simplices forming convex subsets
-        self._groups = self._decompose_polygon_into_convex_sets()
-
-        # Get the sets of (surface, operator) pairs defining the polygon
-        self._surfsets = self._get_surfsets()
+        # and get the sets of (surface, operator) pairs defining the polygon
+        self._surfsets = self._decompose_polygon_into_convex_sets()
 
         # Set surface names as required by CompositeSurface protocol
         surfnames = []
@@ -671,9 +679,17 @@ class Polygon(CompositeSurface):
                 setattr(self, f'surface_{i}', surf)
                 surfnames.append(f'surface_{i}')
                 i += 1
-
         self._surfnames = tuple(surfnames)
 
+        # Generate a list of regions whose union represents the polygon.
+        regions = []
+        for surfs_ops in self._surfsets:
+            regions.append([getattr(surf, op)() for surf, op in surfs_ops])
+        self._regions = [openmc.Intersection(regs) for regs in regions]
+
+        # Create the union of all the convex subsets
+        self._region = openmc.Union(self._regions)
+
     def __neg__(self):
         return self._region
 
@@ -701,23 +717,125 @@ class Polygon(CompositeSurface):
         return rotation.dot(tangents.T).T
 
     @property
-    def _regions(self):
-        """Generate a list of regions whose union represents the polygon."""
-        regions = []
-        for surfs_ops in self._surfsets:
-            regions.append([getattr(surf, op)() for surf, op in surfs_ops])
-        return [openmc.Intersection(regs) for regs in regions]
+    def regions(self):
+        return self._regions
 
     @property
-    def _region(self):
-        return openmc.Union(self._regions)
+    def region(self):
+        return self._region
+
+    def _group_simplices(self, neighbor_map, group=None):
+        """Generate a convex grouping of simplices.
+
+        Parameters
+        ----------
+        neighbor_map : dict
+            A map whose keys are simplex indices for simplices inside the polygon
+            and whose values are a list of simplex indices that neighbor this
+            simplex and are also inside the polygon.
+        group : list
+            A list of simplex indices that comprise the current convex group.
+
+        Returns
+        -------
+        group : list
+            The list of simplex indices that comprise the complete convex group.
+        """
+        # If neighbor_map is empty there's nothing left to do
+        if not neighbor_map:
+            return group
+        # If group is empty, grab the next simplex in the dictionary and recurse
+        if group is None:
+            sidx = next(iter(neighbor_map))
+            return self._group_simplices(neighbor_map, group=[sidx])
+        # Otherwise use the last simplex in the group 
+        else:
+            sidx = group[-1]
+            # Remove current simplex from dictionary since it is in a group
+            neighbors = neighbor_map.pop(sidx, [])
+            # For each neighbor check if it is part of the same convex
+            # hull as the rest of the group. If yes, recurse. If no, continue on.
+            for n in neighbors:
+                if n in group or neighbor_map.get(n, None) is None:
+                    continue
+                test_group = group + [n]
+                test_point_idx = np.unique(self._tri.simplices[test_group, :])
+                test_points = self._tri.points[test_point_idx]
+                # If test_points are convex keep adding to this group
+                if len(test_points) == len(ConvexHull(test_points).vertices):
+                    group = self._group_simplices(neighbor_map, group=test_group)
+            return group
+
+    def _get_convex_hull_surfs(self, qhull):
+        """Generate a list of surfaces given by a set of linear equations
+
+        Parameters
+        ----------
+        qhull : scipy.spatial.ConvexHull
+            A ConvexHull object representing the sub-region of the polygon.
+
+        Returns
+        -------
+        surfs_ops : list of (surface, operator) tuples
+
+        """
+        basis = self.basis
+        # Collect surface/operator pairs such that the intersection of the
+        # regions defined by these pairs is the inside of the polygon.
+        surfs_ops = []
+        # hull facet equation: dx*x + dy*y + c = 0
+        for dx, dy, c in qhull.equations:
+            # Check if the facet is horizontal
+            if isclose(dx, 0):
+                if basis in ('xz', 'yz', 'rz'):
+                    surf = openmc.ZPlane(z0=-c/dy)
+                else:
+                    surf = openmc.YPlane(y0=-c/dy)
+                # if (0, 1).(dx, dy) < 0 we want positive halfspace instead
+                op = '__pos__' if dy < 0 else '__neg__'
+            # Check if the facet is vertical
+            elif isclose(dy, 0):
+                if basis in ('xy', 'xz'):
+                    surf = openmc.XPlane(x0=-c/dx)
+                elif basis == 'yz':
+                    surf = openmc.YPlane(y0=-c/dx)
+                else:
+                    surf = openmc.ZCylinder(r=-c/dx)
+                # if (1, 0).(dx, dy) < 0 we want positive halfspace instead
+                op = '__pos__' if dx < 0 else '__neg__'
+            # Otherwise the facet is at an angle
+            else:
+                op = '__neg__'
+                if basis == 'xy':
+                    surf = openmc.Plane(a=dx, b=dy, d=-c)
+                elif basis == 'yz':
+                    surf = openmc.Plane(b=dx, c=dy, d=-c)
+                elif basis == 'xz':
+                    surf = openmc.Plane(a=dx, c=dy, d=-c)
+                else:
+                    y0 = -c/dy
+                    r2 = dy**2 / dx**2
+                    # Check if the *slope* of the facet is positive. If dy/dx < 0
+                    # then we want up to be True for the one-sided cones.
+                    up = dy / dx < 0
+                    surf = openmc.model.ZConeOneSided(z0=y0, r2=r2, up=up)
+                    # if (1, -1).(dx, dy) < 0 for up cones we want positive halfspace
+                    # if (1, 1).(dx, dy) < 0 for down cones we want positive halfspace
+                    if (up and dx - dy < 0) or (not up and dx + dy < 0):
+                        op = '__pos__'
+                    else:
+                        op = '__neg__'
+
+            surfs_ops.append((surf, op))
+
+        return surfs_ops
 
     def _decompose_polygon_into_convex_sets(self):
         """Decompose the Polygon into a set of convex polygons.
 
         Returns
         -------
-        list of sets of simplices
+        surfsets : a list of lists of surface, operator pairs
         """
 
         # Get centroids of all the simplices and determine if they are inside
@@ -740,26 +858,19 @@ class Polygon(CompositeSurface):
         # left in the neighbor map, group them together into convex sets.
         groups = []
         while neighbor_map:
-            groups.append(group_simplices(self._tri, neighbor_map))
-
-        return groups
-
-    def _get_surfsets(self):
-        """Generate lists of surface, operator pairs for the sub-polygons.
-
-        Returns
-        -------
-        surfsets : a list of lists of surface, operator pairs
-        """
+            groups.append(self._group_simplices(neighbor_map))
+        self._groups = groups
 
+        # Generate lists of (surface, operator) pairs for each convex
+        # sub-region.
         surfsets = []
-        for g in self._groups:
+        for group in groups:
             # Find all the unique points in the convex group of simplices,
             # generate the convex hull and find the resulting surfaces and
             # unary operators that represent this convex subset of the polygon.
-            idx = np.unique(self._tri.simplices[g, :])
+            idx = np.unique(self._tri.simplices[group, :])
             qhull = ConvexHull(self._tri.points[idx, :])
-            surf_ops = get_convex_hull_surfs(qhull, basis=self.basis)
+            surf_ops = self._get_convex_hull_surfs(qhull)
             surfsets.append(surf_ops)
         return surfsets
 
@@ -794,139 +905,3 @@ class Polygon(CompositeSurface):
         new_points /= denom[:, None]
 
         return type(self)(new_points, basis=self.basis)
-
-
-def get_convex_hull_surfs(qhull, basis='rz'):
-    """Generate a list of surfaces given by a set of linear equations
-
-    Parameters
-    ----------
-    qhull : scipy.spatial.ConvexHull
-        A ConvexHull object representing the sub-region of the polygon.
-    basis : str, {'rz', 'xy', 'yz', 'xz'}, optional
-        2D basis set for the polygon.
-
-    Returns
-    -------
-    surfs_ops : list of (surface, operator) tuples
-
-    """
-    check_value('basis', basis, ('xy', 'yz', 'xz', 'rz'))
-    # Collect surface/operator pairs such that the intersection of the
-    # regions defined by these pairs is the inside of the polygon.
-    surfs_ops = []
-    # hull facet equation: dx*x + dy*y + c = 0
-    for dx, dy, c in qhull.equations:
-        # Check if the facet is horizontal
-        if isclose(dx, 0):
-            if basis in ('xz', 'yz', 'rz'):
-                surf = openmc.ZPlane(z0=-c/dy)
-            else:
-                surf = openmc.YPlane(y0=-c/dy)
-            # if (0, 1).(dx, dy) < 0 we want positive halfspace instead
-            op = '__pos__' if dy < 0 else '__neg__'
-        # Check if the facet is vertical
-        elif isclose(dy, 0):
-            if basis in ('xy', 'xz'):
-                surf = openmc.XPlane(x0=-c/dx)
-            elif basis == 'yz':
-                surf = openmc.YPlane(y0=-c/dx)
-            else:
-                surf = openmc.ZCylinder(r=-c/dx)
-            # if (1, 0).(dx, dy) < 0 we want positive halfspace instead
-            op = '__pos__' if dx < 0 else '__neg__'
-        # Otherwise the facet is at an angle
-        else:
-            op = '__neg__'
-            if basis == 'xy':
-                surf = openmc.Plane(a=dx, b=dy, d=-c)
-            elif basis == 'yz':
-                surf = openmc.Plane(b=dx, c=dy, d=-c)
-            elif basis == 'xz':
-                surf = openmc.Plane(a=dx, c=dy, d=-c)
-            else:
-                y0 = -c/dy
-                r2 = dy**2 / dx**2
-                # Check if the *slope* of the facet is positive. If dy/dx < 0
-                # then we want up to be True for the one-sided cones.
-                up = dy / dx < 0
-                surf = openmc.model.ZConeOneSided(z0=y0, r2=r2, up=up)
-                # if (1, -1).(dx, dy) < 0 for up cones we want positive halfspace
-                # if (1, 1).(dx, dy) < 0 for down cones we want positive halfspace
-                if (up and dx - dy < 0) or (not up and dx + dy < 0):
-                    op = '__pos__'
-                else:
-                    op = '__neg__'
-
-        surfs_ops.append((surf, op))
-
-    return surfs_ops
-
-
-def make_ccw(verts):
-    """Determine whether the vertices are ordered counter-clockwise
-
-    Parameters
-    ----------
-    verts : np.ndarray (Nx2)
-        An Nx2 array of coordinate pairs describing the vertices.
-
-
-    Returns
-    -------
-    bool : True if vertices are in counter-clockwise order. False otherwise.
-
-    """
-    vector = np.empty(verts.shape[0])
-    vector[:-1] = (verts[1:, 0] - verts[:-1, 0])*(verts[1:, 1] + verts[:-1, 1])
-    vector[-1] = (verts[0, 0] - verts[-1, 0])*(verts[0, 1] + verts[-1, 1])
-
-    if np.sum(vector) < 0:
-        return verts
-
-    return verts[::-1, :]
-
-
-def group_simplices(tri, neighbor_map, group=None):
-    """Generate a list of convex groups of simplices.
-
-    Parameters
-    ----------
-    tri : scipy.spatial.Delaunay
-        A Delaunay triangulation of points generated from the polygon.
-    neighbor_map : dict
-        A map whose keys are simplex indices for simplices inside the polygon
-        and whose values are a list of simplex indices that neighbor this
-        simplex and are also inside the polygon.
-    group : list
-        A list of simplex indices that comprise the current convex group.
-
-    Returns
-    -------
-    group : list
-        The list of simplex indices that comprise the complete convex group.
-    """
-    # If neighbor_map is empty there's nothing left to do
-    if not neighbor_map:
-        return group
-    # If group is empty, grab the next simplex in the dictionary and recurse
-    if group is None:
-        sidx = next(iter(neighbor_map))
-        return group_simplices(tri, neighbor_map, group=[sidx])
-    # Otherwise use the last simplex in the group 
-    else:
-        sidx = group[-1]
-        # Remove current simplex from dictionary since it is in a group
-        neighbors = neighbor_map.pop(sidx, [])
-        # For each neighbor check if it is part of the same convex
-        # hull as the rest of the group. If yes, recurse. If no, continue on.
-        for n in neighbors:
-            if n in group or neighbor_map.get(n, None) is None:
-                continue
-            test_group = group + [n]
-            test_point_idx = np.unique(tri.simplices[test_group, :])
-            test_points = tri.points[test_point_idx]
-            # If test_points are convex keep adding to this group
-            if len(test_points) == len(ConvexHull(test_points).vertices):
-                group = group_simplices(tri, neighbor_map, group=test_group)
-        return group
diff --git a/tests/unit_tests/test_surface_composite.py b/tests/unit_tests/test_surface_composite.py
index 4d680ae7c..0c618250e 100644
--- a/tests/unit_tests/test_surface_composite.py
+++ b/tests/unit_tests/test_surface_composite.py
@@ -314,3 +314,7 @@ def test_isogonal_octagon(axis, plane_tb, plane_lr, axis_idx):
 
     # Make sure repr works
     repr(s)
+
+@pytest.mark.parametrize("basis", [("xz",), ("yz",), ("xy",), ("rz",)])
+def test_polygon(basis=basis):
+

From 13b1bb88d030d2f79ea3e6ebc7ed18b812c332b4 Mon Sep 17 00:00:00 2001
From: Ethan Peterson <ethan.peterson@mit.edu>
Date: Tue, 18 Oct 2022 17:01:22 -0400
Subject: [PATCH 1259/2654] added unit test

---
 tests/unit_tests/test_surface_composite.py | 24 ++++++++++++++++++++--
 1 file changed, 22 insertions(+), 2 deletions(-)

diff --git a/tests/unit_tests/test_surface_composite.py b/tests/unit_tests/test_surface_composite.py
index 0c618250e..2a77ac5f9 100644
--- a/tests/unit_tests/test_surface_composite.py
+++ b/tests/unit_tests/test_surface_composite.py
@@ -315,6 +315,26 @@ def test_isogonal_octagon(axis, plane_tb, plane_lr, axis_idx):
     # Make sure repr works
     repr(s)
 
-@pytest.mark.parametrize("basis", [("xz",), ("yz",), ("xy",), ("rz",)])
-def test_polygon(basis=basis):
+def test_polygon():
+    # define a 5 pointed star centered on 1, 1
+    star = np.array([[1.        , 2.        ],
+                     [0.70610737, 1.4045085 ],
+                     [0.04894348, 1.30901699],
+                     [0.52447174, 0.8454915 ],
+                     [0.41221475, 0.19098301],
+                     [1.        , 0.5       ],
+                     [1.58778525, 0.19098301],
+                     [1.47552826, 0.8454915 ],
+                     [1.95105652, 1.30901699],
+                     [1.29389263, 1.4045085 ],
+                     [1.        , 2.        ]])
+    points_in = [(1, 1, 0), (0, 1, 1), (1, 0, 1), (.707, .707, 1)]
+    for i, basis in enumerate(('xy', 'yz', 'xz', 'rz')):
+        star_poly = openmc.model.Polygon(star, basis=basis)
+        assert points_in[i] in -star_poly
+        assert points_in[i] not in +star_poly
+        assert (0, 0, 0) not in -star_poly
+        if basis != 'rz':
+            assert(0, 0, 0) in -star_poly.offset(.6)
+
 

From 299525984fc04e0479ffa6ca1d945ca5337f5852 Mon Sep 17 00:00:00 2001
From: Ethan Peterson <ethan.peterson@mit.edu>
Date: Tue, 18 Oct 2022 20:56:58 -0400
Subject: [PATCH 1260/2654] simplified offset method

---
 openmc/model/surface_composite.py | 50 ++++++++++++++++++++-----------
 1 file changed, 32 insertions(+), 18 deletions(-)

diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index 258a7bae7..82ebbfa03 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -662,7 +662,8 @@ class Polygon(CompositeSurface):
             points = points[:-1, :]
         check_length('points', points, 3)
 
-        self._points = points
+        # Order the points counter-clockwise (necessary for offset method)
+        self._points = self._make_ccw(points)
 
         # Create a triangulation of the points.
         self._tri = Delaunay(self._points, qhull_options='QJ')
@@ -724,6 +725,29 @@ class Polygon(CompositeSurface):
     def region(self):
         return self._region
 
+    def _make_ccw(self, points):
+        """Order a set of points counter-clockwise.
+
+        Parameters
+        ----------
+        points : np.ndarray (Nx2)
+            An Nx2 array of coordinate pairs describing the vertices.
+
+        Returns
+        -------
+        ordered_points : the input points ordered counter-clockwise
+        """
+        vector = np.empty(points.shape[0])
+        this_x, this_y = points[:-1, 0], points[:-1, 1]
+        next_x, next_y = points[1:, 0], points[1:, 1]
+        vector[:-1] = (next_x - this_x)*(next_y + this_y)
+        vector[-1] = (this_x[0] - next_x[-1])*(this_y[0] + next_y[-1])
+
+        if np.sum(vector) < 0:
+            return points
+
+        return points[::-1, :]
+
     def _group_simplices(self, neighbor_map, group=None):
         """Generate a convex grouping of simplices.
 
@@ -883,25 +907,15 @@ class Polygon(CompositeSurface):
             The distance to offset the polygon by. Positive is outward
             (expanding) and negative is inward (shrinking).
 
-
         Returns
         -------
         offset_polygon : openmc.model.Polygon
         """
-        # Get the points of the polygon and outward normals such that
-        # normals[i] corresponds to the edge between points[i-1] and points[i]
-        points = self.points
-        normals = self._normals
-        normals = np.insert(normals, 0, normals[-1, :], axis=0)
-        ndotv1 = np.sum(normals[:-1, :]*(points + distance*normals[:-1, :]),
-                        axis=-1, keepdims=True)
-        ndotv2 = np.sum(normals[1:, :]*(points + distance*normals[1:, :]),
-                        axis=-1, keepdims=True)
+        normals = np.insert(self._normals, 0, self._normals[-1, :], axis=0)
+        cos2theta = np.sum(normals[1:, :]*normals[:-1, :], axis=-1, keepdims=True)
+        costheta = np.cos(np.arccos(cos2theta) / 2)
+        nvec = (normals[1:, :] + normals[:-1, :])
+        unit_nvec = nvec / np.linalg.norm(nvec, axis=-1, keepdims=True)
+        disp_vec = distance / costheta * unit_nvec
 
-        new_points = np.empty_like(points)
-        denom = normals[:-1, 0]*normals[1:, 1] - normals[:-1, 1]*normals[1:, 0]
-        new_points[:, 0] = normals[1:, 1]*ndotv1.T - normals[:-1, 1]*ndotv2.T
-        new_points[:, 1] = -normals[1:, 0]*ndotv1.T + normals[:-1, 0]*ndotv2.T
-        new_points /= denom[:, None]
-
-        return type(self)(new_points, basis=self.basis)
+        return type(self)(self.points + disp_vec, basis=self.basis)

From fdc3cfcfbba9fe4f48221850757b2c86f415b0d3 Mon Sep 17 00:00:00 2001
From: Ethan Peterson <ethan.peterson@mit.edu>
Date: Thu, 20 Oct 2022 12:46:29 -0400
Subject: [PATCH 1261/2654] fixed proper boundary_type setting?

---
 openmc/model/surface_composite.py | 26 ++++++++++++++++++++------
 1 file changed, 20 insertions(+), 6 deletions(-)

diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index 82ebbfa03..aeb77c868 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -676,16 +676,18 @@ class Polygon(CompositeSurface):
         surfnames = []
         i = 0
         for surfset in self._surfsets:
-            for surf, op in surfset:
-                setattr(self, f'surface_{i}', surf)
-                surfnames.append(f'surface_{i}')
-                i += 1
+            print(surfset)
+            for surf, op, on_boundary in surfset:
+                if on_boundary:
+                    setattr(self, f'surface_{i}', surf)
+                    surfnames.append(f'surface_{i}')
+                    i += 1
         self._surfnames = tuple(surfnames)
 
         # Generate a list of regions whose union represents the polygon.
         regions = []
         for surfs_ops in self._surfsets:
-            regions.append([getattr(surf, op)() for surf, op in surfs_ops])
+            regions.append([getattr(surf, op)() for surf, op, _ in surfs_ops])
         self._regions = [openmc.Intersection(regs) for regs in regions]
 
         # Create the union of all the convex subsets
@@ -717,6 +719,14 @@ class Polygon(CompositeSurface):
         tangents /= np.linalg.norm(tangents, axis=-1, keepdims=True)
         return rotation.dot(tangents.T).T
 
+    @property
+    def _equations(self):
+        normals = self._normals
+        equations = np.empty((normals.shape[0], 3))
+        equations[:, 0:2] = normals
+        equations[:, 2] = -np.sum(normals*self.points, axis=-1)
+        return equations
+
     @property
     def regions(self):
         return self._regions
@@ -804,11 +814,15 @@ class Polygon(CompositeSurface):
 
         """
         basis = self.basis
+        boundary_eqns = self._equations
         # Collect surface/operator pairs such that the intersection of the
         # regions defined by these pairs is the inside of the polygon.
         surfs_ops = []
         # hull facet equation: dx*x + dy*y + c = 0
         for dx, dy, c in qhull.equations:
+            # check if this facet is on the boundary of the polygon
+            facet_eq = np.array([dx, dy, c])
+            on_boundary = any([np.allclose(facet_eq, eq) for eq in boundary_eqns])
             # Check if the facet is horizontal
             if isclose(dx, 0):
                 if basis in ('xz', 'yz', 'rz'):
@@ -850,7 +864,7 @@ class Polygon(CompositeSurface):
                     else:
                         op = '__neg__'
 
-            surfs_ops.append((surf, op))
+            surfs_ops.append((surf, op, on_boundary))
 
         return surfs_ops
 

From a587f5e1c9966190d1e0f984e41d28145ae3ec2b Mon Sep 17 00:00:00 2001
From: Ethan Peterson <ethan.peterson@mit.edu>
Date: Thu, 20 Oct 2022 12:50:33 -0400
Subject: [PATCH 1262/2654] forgot to remove print

---
 openmc/model/surface_composite.py | 1 -
 1 file changed, 1 deletion(-)

diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index aeb77c868..8c47ac130 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -676,7 +676,6 @@ class Polygon(CompositeSurface):
         surfnames = []
         i = 0
         for surfset in self._surfsets:
-            print(surfset)
             for surf, op, on_boundary in surfset:
                 if on_boundary:
                     setattr(self, f'surface_{i}', surf)

From 8ddb045c7d6501db3a85acadd1d9c46f972d6aa2 Mon Sep 17 00:00:00 2001
From: Ethan Peterson <ethan.peterson@mit.edu>
Date: Thu, 20 Oct 2022 15:28:26 -0400
Subject: [PATCH 1263/2654] added warning about non-transmissive boundary_type

---
 openmc/model/surface_composite.py | 13 +++++++++++++
 1 file changed, 13 insertions(+)

diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index 8c47ac130..922e60f0a 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -4,6 +4,7 @@ from math import sqrt, pi, sin, cos, isclose
 import numpy as np
 from scipy.spatial import ConvexHull, Delaunay
 from matplotlib.path import Path
+import warnings
 
 import openmc
 from openmc.checkvalue import (check_greater_than, check_value,
@@ -702,6 +703,18 @@ class Polygon(CompositeSurface):
     def _surface_names(self):
         return self._surfnames
 
+    @CompositeSurface.boundary_type.setter
+    def boundary_type(self, boundary_type):
+        if boundary_type != 'transmission':
+            warnings.warn("Setting boundary_type to a value other than "
+                          "'transmission' on Polygon composite surfaces can "
+                          "result in unintended behavior. Please use the "
+                          "regions property of the Polygon to generate "
+                          "individual openmc.Cell objects to avoid unwanted "
+                          "behavior.")
+        for name in self._surface_names:
+            getattr(self, name).boundary_type = boundary_type
+
     @property
     def points(self):
         return self._points

From b0d71b31466b4c1d835e28d11b48b28d0d730bc0 Mon Sep 17 00:00:00 2001
From: Ethan Peterson <ethan.peterson@mit.edu>
Date: Tue, 8 Nov 2022 21:21:23 -0500
Subject: [PATCH 1264/2654] Apply suggestions from @paulromano code review

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/model/surface_composite.py          | 10 +++++-----
 tests/unit_tests/test_surface_composite.py |  2 +-
 2 files changed, 6 insertions(+), 6 deletions(-)

diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index 922e60f0a..3ddaa6653 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -634,17 +634,17 @@ class Polygon(CompositeSurface):
     ----------
     points : np.ndarray
         An Nx2 array of points defining the vertices of the polygon.
-    basis : str, {'rz', 'xy', 'yz', 'xz'}, optional
+    basis : {'rz', 'xy', 'yz', 'xz'}, optional
         2D basis set for the polygon.
 
     Attributes
     ----------
     points : np.ndarray
         An Nx2 array of points defining the vertices of the polygon.
-    basis : str, {'rz', 'xy', 'yz', 'xz'}
+    basis : {'rz', 'xy', 'yz', 'xz'}
         2D basis set for the polygon.
     regions : list of openmc.Region
-        A list of openmc.Region objects, one for each of the convex polygons
+        A list of :class:`openmc.Region` objects, one for each of the convex polygons
         formed during the decomposition of the input polygon.
     region : openmc.Union
         The union of all the regions comprising the polygon.
@@ -726,7 +726,7 @@ class Polygon(CompositeSurface):
     @property
     def _normals(self):
         """Generate the outward normal unit vectors for the polygon."""
-        rotation = np.array([[0, 1], [-1, 0]])
+        rotation = np.array([[0., 1.], [-1., 0.]])
         tangents = np.diff(self._points, axis=0, append=[self._points[0, :]])
         tangents /= np.linalg.norm(tangents, axis=-1, keepdims=True)
         return rotation.dot(tangents.T).T
@@ -735,7 +735,7 @@ class Polygon(CompositeSurface):
     def _equations(self):
         normals = self._normals
         equations = np.empty((normals.shape[0], 3))
-        equations[:, 0:2] = normals
+        equations[:, :2] = normals
         equations[:, 2] = -np.sum(normals*self.points, axis=-1)
         return equations
 
diff --git a/tests/unit_tests/test_surface_composite.py b/tests/unit_tests/test_surface_composite.py
index 2a77ac5f9..14579df22 100644
--- a/tests/unit_tests/test_surface_composite.py
+++ b/tests/unit_tests/test_surface_composite.py
@@ -335,6 +335,6 @@ def test_polygon():
         assert points_in[i] not in +star_poly
         assert (0, 0, 0) not in -star_poly
         if basis != 'rz':
-            assert(0, 0, 0) in -star_poly.offset(.6)
+            assert (0, 0, 0) in -star_poly.offset(.6)
 
 

From d314bedbd7951be8e8844e439c0349de9b621040 Mon Sep 17 00:00:00 2001
From: Ethan Peterson <ethan.peterson@mit.edu>
Date: Tue, 8 Nov 2022 21:40:16 -0500
Subject: [PATCH 1265/2654] improving documentation and style

---
 docs/source/pythonapi/model.rst   |  1 +
 openmc/model/surface_composite.py | 23 ++++++++++++++---------
 2 files changed, 15 insertions(+), 9 deletions(-)

diff --git a/docs/source/pythonapi/model.rst b/docs/source/pythonapi/model.rst
index 636935c6b..cdabee396 100644
--- a/docs/source/pythonapi/model.rst
+++ b/docs/source/pythonapi/model.rst
@@ -31,6 +31,7 @@ Composite Surfaces
    openmc.model.XConeOneSided
    openmc.model.YConeOneSided
    openmc.model.ZConeOneSided
+   openmc.model.Polygon
 
 TRISO Fuel Modeling
 -------------------
diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index 3ddaa6653..5229e6f3d 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -1,10 +1,12 @@
 from abc import ABC, abstractmethod
 from copy import copy
 from math import sqrt, pi, sin, cos, isclose
+import warnings
+import operator
+
 import numpy as np
 from scipy.spatial import ConvexHull, Delaunay
 from matplotlib.path import Path
-import warnings
 
 import openmc
 from openmc.checkvalue import (check_greater_than, check_value,
@@ -635,7 +637,11 @@ class Polygon(CompositeSurface):
     points : np.ndarray
         An Nx2 array of points defining the vertices of the polygon.
     basis : {'rz', 'xy', 'yz', 'xz'}, optional
-        2D basis set for the polygon.
+        2D basis set for the polygon. The polygon is two dimensional and has
+        infinite extent in the third (unspecified) dimension. For example, the
+        'xy' basis produces a polygon with infinite extent in the +/- z
+        direction. For the 'rz' basis the phi extent is infinite, thus forming
+        an axisymmetric surface.
 
     Attributes
     ----------
@@ -687,7 +693,7 @@ class Polygon(CompositeSurface):
         # Generate a list of regions whose union represents the polygon.
         regions = []
         for surfs_ops in self._surfsets:
-            regions.append([getattr(surf, op)() for surf, op, _ in surfs_ops])
+            regions.append([op(surf) for surf, op, _ in surfs_ops])
         self._regions = [openmc.Intersection(regs) for regs in regions]
 
         # Create the union of all the convex subsets
@@ -842,7 +848,7 @@ class Polygon(CompositeSurface):
                 else:
                     surf = openmc.YPlane(y0=-c/dy)
                 # if (0, 1).(dx, dy) < 0 we want positive halfspace instead
-                op = '__pos__' if dy < 0 else '__neg__'
+                op = operator.pos if dy < 0 else operator.neg
             # Check if the facet is vertical
             elif isclose(dy, 0):
                 if basis in ('xy', 'xz'):
@@ -852,10 +858,10 @@ class Polygon(CompositeSurface):
                 else:
                     surf = openmc.ZCylinder(r=-c/dx)
                 # if (1, 0).(dx, dy) < 0 we want positive halfspace instead
-                op = '__pos__' if dx < 0 else '__neg__'
+                op = operator.pos if dx < 0 else operator.neg
             # Otherwise the facet is at an angle
             else:
-                op = '__neg__'
+                op = operator.neg
                 if basis == 'xy':
                     surf = openmc.Plane(a=dx, b=dy, d=-c)
                 elif basis == 'yz':
@@ -871,10 +877,9 @@ class Polygon(CompositeSurface):
                     surf = openmc.model.ZConeOneSided(z0=y0, r2=r2, up=up)
                     # if (1, -1).(dx, dy) < 0 for up cones we want positive halfspace
                     # if (1, 1).(dx, dy) < 0 for down cones we want positive halfspace
+                    # otherwise we keep the negative halfspace operator
                     if (up and dx - dy < 0) or (not up and dx + dy < 0):
-                        op = '__pos__'
-                    else:
-                        op = '__neg__'
+                        op = operator.pos
 
             surfs_ops.append((surf, op, on_boundary))
 

From 2adbe971942f134babcfae92090f8fc9bc374fad Mon Sep 17 00:00:00 2001
From: Ethan Peterson <ethan.peterson@mit.edu>
Date: Thu, 10 Nov 2022 11:14:20 -0500
Subject: [PATCH 1266/2654] updated algorithms and documentation

---
 openmc/model/surface_composite.py          | 19 +++++++++++++------
 tests/unit_tests/test_surface_composite.py |  7 ++++---
 2 files changed, 17 insertions(+), 9 deletions(-)

diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index 5229e6f3d..5d1553a38 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -732,9 +732,17 @@ class Polygon(CompositeSurface):
     @property
     def _normals(self):
         """Generate the outward normal unit vectors for the polygon."""
+        # Rotation matrix for 90 degree clockwise rotation (-90 degrees about z
+        # axis for an 'xy' basis).
         rotation = np.array([[0., 1.], [-1., 0.]])
+        # Get the unit vectors that point from one point in the polygon to the
+        # next given that they are ordered counterclockwise and that the final
+        # point is connected to the first point
         tangents = np.diff(self._points, axis=0, append=[self._points[0, :]])
         tangents /= np.linalg.norm(tangents, axis=-1, keepdims=True)
+        # Rotate the tangent vectors clockwise by 90 degrees, which for a
+        # counter-clockwise ordered polygon will produce the outward normal
+        # vectors.
         return rotation.dot(tangents.T).T
 
     @property
@@ -765,13 +773,12 @@ class Polygon(CompositeSurface):
         -------
         ordered_points : the input points ordered counter-clockwise
         """
-        vector = np.empty(points.shape[0])
-        this_x, this_y = points[:-1, 0], points[:-1, 1]
-        next_x, next_y = points[1:, 0], points[1:, 1]
-        vector[:-1] = (next_x - this_x)*(next_y + this_y)
-        vector[-1] = (this_x[0] - next_x[-1])*(this_y[0] + next_y[-1])
+        # Calculates twice the signed area of the polygon using the "Shoelace
+        # Formula" https://en.wikipedia.org/wiki/Shoelace_formula
+        xpts, ypts = points.T
 
-        if np.sum(vector) < 0:
+        # If signed area is positive the curve is oriented counter-clockwise
+        if np.sum(ypts*(np.roll(xpts, 1) - np.roll(xpts, -1))) > 0:
             return points
 
         return points[::-1, :]
diff --git a/tests/unit_tests/test_surface_composite.py b/tests/unit_tests/test_surface_composite.py
index 14579df22..dbfaa62b1 100644
--- a/tests/unit_tests/test_surface_composite.py
+++ b/tests/unit_tests/test_surface_composite.py
@@ -332,9 +332,10 @@ def test_polygon():
     for i, basis in enumerate(('xy', 'yz', 'xz', 'rz')):
         star_poly = openmc.model.Polygon(star, basis=basis)
         assert points_in[i] in -star_poly
+        assert any([points_in[i] in reg for reg in star_poly.regions])
         assert points_in[i] not in +star_poly
         assert (0, 0, 0) not in -star_poly
         if basis != 'rz':
-            assert (0, 0, 0) in -star_poly.offset(.6)
-
-
+            offset_star = star_poly.offset(.6)
+            assert (0, 0, 0) in -offset_star
+            assert any([(0, 0, 0) in reg for reg in offset_star.regions])

From 2283e08fdcccbc4b2f49f6fc212f2d424fb419b7 Mon Sep 17 00:00:00 2001
From: Ethan Peterson <ethan.peterson@mit.edu>
Date: Thu, 10 Nov 2022 13:00:11 -0500
Subject: [PATCH 1267/2654] add abs_tol to prevent cones with infinite or 0
 slope

---
 openmc/model/surface_composite.py | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index 5d1553a38..002fad9d9 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -849,7 +849,7 @@ class Polygon(CompositeSurface):
             facet_eq = np.array([dx, dy, c])
             on_boundary = any([np.allclose(facet_eq, eq) for eq in boundary_eqns])
             # Check if the facet is horizontal
-            if isclose(dx, 0):
+            if isclose(dx, 0, abs_tol=1e-8):
                 if basis in ('xz', 'yz', 'rz'):
                     surf = openmc.ZPlane(z0=-c/dy)
                 else:
@@ -857,7 +857,7 @@ class Polygon(CompositeSurface):
                 # if (0, 1).(dx, dy) < 0 we want positive halfspace instead
                 op = operator.pos if dy < 0 else operator.neg
             # Check if the facet is vertical
-            elif isclose(dy, 0):
+            elif isclose(dy, 0, abs_tol=1e-8):
                 if basis in ('xy', 'xz'):
                     surf = openmc.XPlane(x0=-c/dx)
                 elif basis == 'yz':

From ae785fda5f821e9144b1c93e5344d788c7382ce7 Mon Sep 17 00:00:00 2001
From: Coline Larmier <coline.larmier@cea.fr>
Date: Thu, 10 Nov 2022 15:14:09 +0100
Subject: [PATCH 1268/2654] Fix the case where the yield is zero.

Problem detected in the context of a code-to-code comparison between OpenMC and TRIPOLI-4:
- configuration: sphere of radius R = 30 cm containing the isotope ZR93 at 293K
- sphere irradiated at the center by an isotropic, mono-energy, point source (E_0 = 14.1 MeV)
- data from JEFF-3.3

For some isotopes, namely ZR93 at 293K, the sampled yield can be equal to 0 (namely for MT=5: interaction "n-other").
In such a case, it is necessary to deactivate the particle.
---
 src/physics.cpp | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/src/physics.cpp b/src/physics.cpp
index bcdcf7ecf..ae59b49cb 100644
--- a/src/physics.cpp
+++ b/src/physics.cpp
@@ -1127,7 +1127,7 @@ void inelastic_scatter(const Nuclide& nuc, const Reaction& rx, Particle& p)
 
   // evaluate yield
   double yield = (*rx.products_[0].yield_)(E_in);
-  if (std::floor(yield) == yield) {
+  if (std::floor(yield) == yield && yield > 0) {
     // If yield is integral, create exactly that many secondary particles
     for (int i = 0; i < static_cast<int>(std::round(yield)) - 1; ++i) {
       p.create_secondary(p.wgt(), p.u(), p.E(), ParticleType::neutron);

From 6ede028b39a021636ae44873e13b93859d957e80 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 11 Nov 2022 20:50:36 -0600
Subject: [PATCH 1269/2654] Prevent out-of-bounds memory access on Compton
 profile data

---
 src/photon.cpp | 12 ++++++++++--
 1 file changed, 10 insertions(+), 2 deletions(-)

diff --git a/src/photon.cpp b/src/photon.cpp
index 2f9bc5e3d..a500ff2d4 100644
--- a/src/photon.cpp
+++ b/src/photon.cpp
@@ -226,8 +226,9 @@ PhotonInteraction::PhotonInteraction(hid_t group)
 
   // Create Compton profile CDF
   auto n_profile = data::compton_profile_pz.size();
-  profile_cdf_ = xt::empty<double>({n_shell, n_profile});
-  for (int i = 0; i < profile_pdf_.shape(0); ++i) {
+  auto n_shell_compton = profile_pdf_.shape(0);
+  profile_cdf_ = xt::empty<double>({n_shell_compton, n_profile});
+  for (int i = 0; i < n_shell_compton; ++i) {
     double c = 0.0;
     profile_cdf_(i, 0) = 0.0;
     for (int j = 0; j < n_profile - 1; ++j) {
@@ -409,6 +410,13 @@ void PhotonInteraction::compton_scatter(double alpha, bool doppler,
         double E_out;
         this->compton_doppler(alpha, *mu, &E_out, i_shell, seed);
         *alpha_out = E_out / MASS_ELECTRON_EV;
+
+        // It's possible for the Compton profile data to have more shells than
+        // there are in the ENDF data. Make sure the shell index doesn't end up
+        // out of bounds.
+        if (*i_shell >= shells_.size()) {
+          *i_shell = -1;
+        }
       } else {
         *i_shell = -1;
       }

From a28a175261c7b8ddab4c33c8e88b522fa9f043e4 Mon Sep 17 00:00:00 2001
From: myerspat <myerspat@umich.edu>
Date: Sat, 12 Nov 2022 13:19:21 -0500
Subject: [PATCH 1270/2654] Added catch2 submodule for cpp testing

---
 .gitmodules   | 3 +++
 vendor/Catch2 | 1 +
 2 files changed, 4 insertions(+)
 create mode 160000 vendor/Catch2

diff --git a/.gitmodules b/.gitmodules
index ff9120010..b16ecb580 100644
--- a/.gitmodules
+++ b/.gitmodules
@@ -13,3 +13,6 @@
 [submodule "vendor/fmt"]
 	path = vendor/fmt
 	url = https://github.com/fmtlib/fmt.git
+[submodule "vendor/Catch2"]
+	path = vendor/Catch2
+	url = git@github.com:catchorg/Catch2.git
diff --git a/vendor/Catch2 b/vendor/Catch2
new file mode 160000
index 000000000..41990e0fe
--- /dev/null
+++ b/vendor/Catch2
@@ -0,0 +1 @@
+Subproject commit 41990e0fe6274d716134eecfd4d780e976c8fbf5

From 4072fc430b763e7026e0cefff11fbda6dc019eb8 Mon Sep 17 00:00:00 2001
From: myerspat <myerspat@umich.edu>
Date: Sat, 12 Nov 2022 13:31:27 -0500
Subject: [PATCH 1271/2654] Removing excess probability vector

---
 include/openmc/distribution.h |  9 ++++-----
 src/distribution.cpp          | 16 ++++++++--------
 2 files changed, 12 insertions(+), 13 deletions(-)

diff --git a/include/openmc/distribution.h b/include/openmc/distribution.h
index de1664275..e2c710ae9 100644
--- a/include/openmc/distribution.h
+++ b/include/openmc/distribution.h
@@ -48,14 +48,13 @@ public:
   // Properties
   const vector<double>& x() const { return x_; }
   const vector<double>& p() const { return p_; }
+  const vector<size_t>& alias() const { return alias_; }
 
 private:
   vector<double> x_; //!< Possible outcomes
-  vector<double> p_; //!< Probability of each outcome
-  
-  //! Alies method tables
-  vector<double> prob_; 
-  vector<double> alias_;
+  vector<double>
+    p_; //!< Probability of each outcome, mapped to alias method table
+  vector<size_t> alias_; //!< Alias table
 
   //! Normalize distribution so that probabilities sum to unity
   void normalize();
diff --git a/src/distribution.cpp b/src/distribution.cpp
index 55b6c53b7..436e34116 100644
--- a/src/distribution.cpp
+++ b/src/distribution.cpp
@@ -38,17 +38,16 @@ Discrete::Discrete(const double* x, const double* p, int n)
   normalize();
 
   // Vectors for large and small probabilities based on 1/n
-  vector<int> large;
-  vector<int> small;
+  vector<size_t> large;
+  vector<size_t> small;
 
   // Set and allocate memory
-  prob_ = p_;
   alias_.reserve(n);
 
   // Fill large and small vectors based on 1/n
   for (int i = 0; i < n; i++) {
-    prob_[i] *= n;
-    if (prob_[i] > 1.0) {
+    p_[i] *= n;
+    if (p_[i] > 1.0) {
       large.push_back(i);
     } else {
       small.push_back(i);
@@ -63,11 +62,11 @@ Discrete::Discrete(const double* x, const double* p, int n)
     small.pop_back();
 
     // Update probability and alias based on Vose's algorithm
-    prob_[k] += prob_[j] - 1;
+    p_[k] += p_[j] - 1.0;
     alias_[j] = k;
 
     // Remove last vector element and or move large index to small vector
-    if (prob_[k] < 1.0) {
+    if (p_[k] < 1.0) {
       small.push_back(k);
       large.pop_back();
     }
@@ -76,10 +75,11 @@ Discrete::Discrete(const double* x, const double* p, int n)
 
 double Discrete::sample(uint64_t* seed) const
 {
+  // Alias sampling of discrete distribution
   int n = x_.size();
   if (n > 1) {
     int u = prn(seed) * n;
-    if (prn(seed) < prob_[u]) {
+    if (prn(seed) < p_[u]) {
       return x_[u];
     } else {
       return x_[alias_[u]];

From d65ac06bd628f9ee540248e2eb6a33e4417b610f Mon Sep 17 00:00:00 2001
From: myerspat <myerspat@umich.edu>
Date: Sat, 12 Nov 2022 13:32:41 -0500
Subject: [PATCH 1272/2654] Catch2 unit testing capabilities and alias sampling
 unit test

---
 CMakeLists.txt                             | 12 +++++++
 tests/cpp_unit_tests/CMakeLists.txt        |  9 +++++
 tests/cpp_unit_tests/test_distribution.cpp | 40 ++++++++++++++++++++++
 3 files changed, 61 insertions(+)
 create mode 100644 tests/cpp_unit_tests/CMakeLists.txt
 create mode 100644 tests/cpp_unit_tests/test_distribution.cpp

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 521b46cfc..e0a98b1e9 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -265,6 +265,14 @@ if (NOT gsl-lite_FOUND)
   target_compile_definitions(gsl-lite-v1 INTERFACE gsl_CONFIG_ALLOWS_NONSTRICT_SPAN_COMPARISON=1)
 endif()
 
+#===============================================================================
+# Catch2 library
+#===============================================================================
+find_package_write_status(Catch2)
+if (NOT Catch2)
+  add_subdirectory(vendor/Catch2)
+endif()
+
 #===============================================================================
 # RPATH information
 #===============================================================================
@@ -482,6 +490,10 @@ if (OPENMC_USE_MPI)
   target_link_libraries(libopenmc MPI::MPI_CXX)
 endif()
 
+# Add cpp tests directory
+include(CTest)
+add_subdirectory(tests/cpp_unit_tests)
+
 #===============================================================================
 # openmc executable
 #===============================================================================
diff --git a/tests/cpp_unit_tests/CMakeLists.txt b/tests/cpp_unit_tests/CMakeLists.txt
new file mode 100644
index 000000000..c26547f77
--- /dev/null
+++ b/tests/cpp_unit_tests/CMakeLists.txt
@@ -0,0 +1,9 @@
+set(TEST_NAMES
+  test_distribution
+)
+
+foreach(test ${TEST_NAMES})
+  add_executable(${test} ${test}.cpp)
+  target_link_libraries(${test} Catch2::Catch2WithMain libopenmc)
+  add_test(NAME ${test} COMMAND ${test} WORKING_DIRECTORY ${UNIT_TEST_BIN_OUTPUT_DIR})
+endforeach()
diff --git a/tests/cpp_unit_tests/test_distribution.cpp b/tests/cpp_unit_tests/test_distribution.cpp
new file mode 100644
index 000000000..772fc136a
--- /dev/null
+++ b/tests/cpp_unit_tests/test_distribution.cpp
@@ -0,0 +1,40 @@
+#include "openmc/distribution.h"
+#include "openmc/random_lcg.h"
+#include <catch2/catch_test_macros.hpp>
+
+TEST_CASE("Test alias method sampling of a discrete distribution")
+{
+  int n_samples = 1e6;
+  double x[5] = {-1.6, 1.1, 20.3, 4.7, 0.9};
+  double p[5] = {0.2, 0.1, 0.5, 0.05, 0.15};
+  double samples[n_samples];
+
+  // Initialize distribution
+  openmc::Discrete dist(x, p, 5);
+  uint64_t seed = openmc::init_seed(0, 0);
+
+  // Calculate expected distribution mean
+  double mean = 0.0;
+  for (size_t i = 0; i < 5; i++) {
+    mean += x[i] * p[i];
+  }
+
+  // Sample distribution and calculate mean
+  double dist_mean = 0.0;
+  for (size_t i = 0; i < n_samples; i++) {
+    samples[i] = dist.sample(&seed);
+    dist_mean += samples[i];
+  }
+  dist_mean /= n_samples;
+
+  // Calculate standard deviation
+  double std = 0.0;
+  for (size_t i = 0; i < n_samples; i++) {
+    std += (samples[i] - dist_mean) * (samples[i] - dist_mean);
+  }
+  std /= n_samples;
+
+  // Require sampled distribution mean is within 3 standard deviations of the
+  // expected mean
+  REQUIRE(std::abs(dist_mean - mean) < 3 * std);
+}

From 2aef8052e9277fe2598b40162e2daaaf616741e8 Mon Sep 17 00:00:00 2001
From: shimwell <mail@jshimwell.com>
Date: Sun, 13 Nov 2022 16:11:23 +0000
Subject: [PATCH 1273/2654] added acceptable keys to help user

---
 openmc/config.py | 4 +++-
 1 file changed, 3 insertions(+), 1 deletion(-)

diff --git a/openmc/config.py b/openmc/config.py
index 087a8c27e..3b8992536 100644
--- a/openmc/config.py
+++ b/openmc/config.py
@@ -42,7 +42,9 @@ class _Config(MutableMapping):
             # Reset photon source data since it relies on chain file
             _DECAY_PHOTON_ENERGY.clear()
         else:
-            raise KeyError(f'Unrecognized config key: {key}')
+            raise KeyError(f'Unrecognized config key: {key}. Acceptable keys '
+                           'are "cross_sections", "mg_cross_sections" and '
+                           '"chain_file"')
 
     def __iter__(self):
         return iter(self._mapping)

From 70981bcd5df1fde7e6a26376dd7ba8f8587b87c2 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Mon, 14 Nov 2022 13:05:22 -0600
Subject: [PATCH 1274/2654] Correction to error message regarding WW shape

---
 src/weight_windows.cpp | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/src/weight_windows.cpp b/src/weight_windows.cpp
index f0431f71f..a433cc6b3 100644
--- a/src/weight_windows.cpp
+++ b/src/weight_windows.cpp
@@ -184,7 +184,7 @@ WeightWindows::WeightWindows(pugi::xml_node node)
       fmt::format("In weight window domain {} the number of spatial "
                   "energy/spatial bins ({}) does not match the number "
                   "of weight bins ({})",
-        id_, num_energy_bins, num_weight_bins);
+        id_, num_energy_bins * num_spatial_bins, num_weight_bins);
     fatal_error(err_msg);
   }
 }

From dc5f2746d3a2c0355402e3141f55dd0cee2ce4d6 Mon Sep 17 00:00:00 2001
From: josh <josh@radiantnuclear.com>
Date: Mon, 14 Nov 2022 20:36:11 +0000
Subject: [PATCH 1275/2654] avoid double reading thermal scattering libraries

---
 src/thermal.cpp | 20 +++++++++++---------
 1 file changed, 11 insertions(+), 9 deletions(-)

diff --git a/src/thermal.cpp b/src/thermal.cpp
index b54f07b36..982bf226a 100644
--- a/src/thermal.cpp
+++ b/src/thermal.cpp
@@ -119,20 +119,22 @@ ThermalScattering::ThermalScattering(
       if (!found) {
         // If no pairs found, check if the desired temperature falls within
         // bounds' tolerance
-        if (std::abs(T - temps_available[0]) <=
-            settings::temperature_tolerance) {
+        if (std::abs(T - temps_available[0]) <= settings::temperature_tolerance){
+          if (std::find(temps_to_read.begin(), temps_to_read.end(), std::round(temps_available[0])) ==
+              temps_to_read.end()) {
           temps_to_read.push_back(std::round(temps_available[0]));
-          break;
-        }
-        if (std::abs(T - temps_available[n - 1]) <=
-            settings::temperature_tolerance) {
+        }}
+        else if (std::abs(T - temps_available[n - 1]) <= settings::temperature_tolerance){
+          if (std::find(temps_to_read.begin(), temps_to_read.end(), std::round(temps_available[n - 1])) ==
+              temps_to_read.end()){
           temps_to_read.push_back(std::round(temps_available[n - 1]));
-          break;
-        }
-        fatal_error(
+        }}
+        else {
+          fatal_error(
           fmt::format("Nuclear data library does not contain cross "
                       "sections for {} at temperatures that bound {} K.",
             name_, std::round(T)));
+            }
       }
     }
   }

From b2d5ca1176305a55f46836da7752aa7d4936d224 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Mon, 14 Nov 2022 19:50:47 -0600
Subject: [PATCH 1276/2654] Fixing a typo and adding some clarity

---
 src/weight_windows.cpp | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/src/weight_windows.cpp b/src/weight_windows.cpp
index a433cc6b3..e8e8f4b05 100644
--- a/src/weight_windows.cpp
+++ b/src/weight_windows.cpp
@@ -181,9 +181,9 @@ WeightWindows::WeightWindows(pugi::xml_node node)
   int num_weight_bins = lower_ww_.size();
   if (num_weight_bins != num_spatial_bins * num_energy_bins) {
     auto err_msg =
-      fmt::format("In weight window domain {} the number of spatial "
+      fmt::format("In weight window domain {} the number of "
                   "energy/spatial bins ({}) does not match the number "
-                  "of weight bins ({})",
+                  "of weight bins provided ({})",
         id_, num_energy_bins * num_spatial_bins, num_weight_bins);
     fatal_error(err_msg);
   }

From e224adf4313056e8dfb8700126d7329511de0721 Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erik.knudsen@copenhagenatomics.com>
Date: Wed, 16 Nov 2022 10:31:15 +0100
Subject: [PATCH 1277/2654] follow source code conventions

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 include/openmc/state_point.h | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/include/openmc/state_point.h b/include/openmc/state_point.h
index 2d92c935a..698ed2c93 100644
--- a/include/openmc/state_point.h
+++ b/include/openmc/state_point.h
@@ -26,7 +26,7 @@ void restart_set_keff();
 void write_unstructured_mesh_results();
 
 #ifdef OPENMC_MCPL
-void write_mcpl_source_point(const char *filename_, bool surf_source_bank = false);
+void write_mcpl_source_point(const char* filename, bool surf_source_bank = false);
 void write_mcpl_source_bank(mcpl_outfile_t file_id, bool surf_source_bank);
 #endif
 

From b2320ae1d477d7f3d932a406eb2989eee5cf37e3 Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erik.knudsen@copenhagenatomics.com>
Date: Wed, 16 Nov 2022 13:42:25 +0100
Subject: [PATCH 1278/2654] not needed since mcpl-file is created by openmc

---
 .../source_mcpl_file/gen_dummy_mcpl.c         | 98 -------------------
 1 file changed, 98 deletions(-)
 delete mode 100644 tests/regression_tests/source_mcpl_file/gen_dummy_mcpl.c

diff --git a/tests/regression_tests/source_mcpl_file/gen_dummy_mcpl.c b/tests/regression_tests/source_mcpl_file/gen_dummy_mcpl.c
deleted file mode 100644
index 61eea95c6..000000000
--- a/tests/regression_tests/source_mcpl_file/gen_dummy_mcpl.c
+++ /dev/null
@@ -1,98 +0,0 @@
-#include <mcpl.h>
-#include <stdio.h>
-#include <stdlib.h>
-#include <math.h>
-
-const int batches=10;
-const int particles=10000;
-
-double rand01(){
-  double r=rand()/((double) RAND_MAX);
-  return r;
-}
-
-
-int main(int argc, char **argv){
-  char outfilename[128];
-  snprintf(outfilename,127,"source.%d.mcpl",batches);
-
-  /*generate an mcpl_header_of sorts*/
-  mcpl_outfile_t outfile=mcpl_create_outfile(outfilename);
-  mcpl_particle_t *particle, Particle;
-
-  char line[256];
-  snprintf(line,255,"gen_dummy_mcpl.c");
-  mcpl_hdr_set_srcname(outfile,line);
-  mcpl_enable_universal_pdgcode(outfile,2112);/*all particles are neutrons*/
-  snprintf(line,255,"Dummy MCPL-file for testing OpenMC mcpl input");
-  mcpl_hdr_add_comment(outfile,line);
-
-  /*also add the instrument file and the command line as blobs*/
-  FILE *fp;
-  if( (fp=fopen("gen_dummy_mcpl.c","rb"))!=NULL){
-    unsigned char *buffer;
-    int size,status;
-    /*find the file size by seeking to end, "tell" the position, and then go back again*/
-    fseek(fp, 0L, SEEK_END);
-    size = ftell(fp); // get current file pointer
-    fseek(fp, 0L, SEEK_SET); // seek back to beginning of file
-    if ( size && (buffer=malloc(size))!=NULL){
-      if (size!=(fread(buffer,1,size,fp))){
-        fprintf(stderr,"Warning: c source generator file not read cleanly\n");
-      }
-      mcpl_hdr_add_data(outfile, "mcpl_point_source_file_generator", size, buffer);
-      free(buffer);
-    }
-    fclose(fp);
-  } else {
-    fprintf(stderr,"Warning: could not open c source generator file, hence not embedded.\n");
-  }
-
-
-  /*the main particle loop*/
-  particle=&Particle;
-  int i;
-  srand(1234);
-  for (i=0;i<batches*particles; i++){
-    if(i%particles==0){
-      printf("MCPL_test: generating batch number %d\n",i/particles);
-    }
-    /*generate a point source - i.e. x,y,z are 0*/
-    particle->position[0]=0;
-    particle->position[1]=0;
-    particle->position[2]=0;
-
-    /*generate a random direction on unit sphere*/
-    double nrm=2.0;
-    double vx,vy,vz;
-    int iter=0;
-    do {
-      if(iter>100){
-        printf("Warning: Exceeded max random vector attempts: at loop %d -> %g   %d\n",i,nrm,iter);
-      }
-      vx=rand01()*2.0-1.0;
-      vy=rand01()*2.0-1.0;
-      vz=rand01()*2.0-1.0;
-      nrm=(vx*vx + vy*vy + vz*vz);
-      iter++;
-    } while (nrm>1.0);
-    vx/=sqrt(nrm);
-    vy/=sqrt(nrm);
-    vz/=sqrt(nrm);
-    particle->direction[0]=vx;
-    particle->direction[1]=vy;
-    particle->direction[2]=vz;
-
-    /*generate the kinetic energy (in MeV) of the particle*/
-    particle->ekin=1e-3;
-
-    /*set time=0*/
-    particle->time=0;
-    /*set weight*/
-    particle->weight=1;
-
-    particle->userflags=0;
-    mcpl_add_particle(outfile,particle);
-  }
-  mcpl_close_outfile(outfile);
-}

From 3e60d51f904ca413030716aa1882866bebab8c23 Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erik.knudsen@copenhagenatomics.com>
Date: Wed, 16 Nov 2022 13:54:08 +0100
Subject: [PATCH 1279/2654] from_xml mcpl-settings functionality

---
 openmc/settings.py | 4 +++-
 1 file changed, 3 insertions(+), 1 deletion(-)

diff --git a/openmc/settings.py b/openmc/settings.py
index 0937a3e48..b2c184f78 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -1341,13 +1341,15 @@ class Settings:
     def _surf_source_write_from_xml_element(self, root):
         elem = root.find('surf_source_write')
         if elem is not None:
-            for key in ('surface_ids', 'max_particles'):
+            for key in ('surface_ids', 'max_particles','mcpl'):
                 value = get_text(elem, key)
                 if value is not None:
                     if key == 'surface_ids':
                         value = [int(x) for x in value.split()]
                     elif key in ('max_particles'):
                         value = int(value)
+                    elif key == 'mcpl':
+                        value = True
                     self.surf_source_write[key] = value
 
     def _confidence_intervals_from_xml_element(self, root):

From d6a4a3ecb9d14f90e3232c55360d5998beccd343 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 16 Nov 2022 15:10:11 -0600
Subject: [PATCH 1280/2654] Produce light particles from decay

---
 openmc/deplete/chain.py                       | 22 +++++++---
 openmc/deplete/independent_operator.py        |  6 +--
 openmc/deplete/stepresult.py                  | 26 ++++++-----
 .../unit_tests/test_deplete_decay_products.py | 43 +++++++++++++++++++
 4 files changed, 79 insertions(+), 18 deletions(-)
 create mode 100644 tests/unit_tests/test_deplete_decay_products.py

diff --git a/openmc/deplete/chain.py b/openmc/deplete/chain.py
index 33ac8a342..f439cedc3 100644
--- a/openmc/deplete/chain.py
+++ b/openmc/deplete/chain.py
@@ -630,15 +630,27 @@ class Chain:
 
             # Gain from radioactive decay
             if nuc.n_decay_modes != 0:
-                for _, target, branching_ratio in nuc.decay_modes:
-                    # Allow for total annihilation for debug purposes
-                    if target is not None:
-                        branch_val = branching_ratio * decay_constant
+                for decay_type, target, branching_ratio in nuc.decay_modes:
+                    branch_val = branching_ratio * decay_constant
 
-                        if branch_val != 0.0:
+                    # Allow for total annihilation for debug purposes
+                    if branch_val != 0.0:
+                        if target is not None:
                             k = self.nuclide_dict[target]
                             matrix[k, i] += branch_val
 
+                        # Produce alphas and protons from decay
+                        if 'alpha' in decay_type:
+                            k = self.nuclide_dict.get('He4')
+                            if k is not None:
+                                count = decay_type.count('alpha')
+                                matrix[k, i] += count * branch_val
+                        elif 'p' in decay_type:
+                            k = self.nuclide_dict.get('H1')
+                            if k is not None:
+                                count = decay_type.count('p')
+                                matrix[k, i] += count * branch_val
+
             if nuc.name in rates.index_nuc:
                 # Extract all reactions for this nuclide in this cell
                 nuc_ind = rates.index_nuc[nuc.name]
diff --git a/openmc/deplete/independent_operator.py b/openmc/deplete/independent_operator.py
index f628a7db1..a8249a98e 100644
--- a/openmc/deplete/independent_operator.py
+++ b/openmc/deplete/independent_operator.py
@@ -150,7 +150,7 @@ class IndependentOperator(OpenMCOperator):
     @classmethod
     def from_nuclides(cls, volume, nuclides,
                       micro_xs,
-                      chain_file,
+                      chain_file=None,
                       nuc_units='atom/b-cm',
                       keff=None,
                       normalization_mode='fission-q',
@@ -170,9 +170,9 @@ class IndependentOperator(OpenMCOperator):
             values.
         micro_xs : MicroXS
             One-group microscopic cross sections.
-        chain_file : str
+        chain_file : str, optional
             Path to the depletion chain XML file.
-        nuc_units : {'atom/cm3', 'atom/b-cm'}
+        nuc_units : {'atom/cm3', 'atom/b-cm'}, optional
             Units for nuclide concentration.
         keff : 2-tuple of float, optional
            keff eigenvalue and uncertainty from transport calculation.
diff --git a/openmc/deplete/stepresult.py b/openmc/deplete/stepresult.py
index c8b35a1fa..042fa46a1 100644
--- a/openmc/deplete/stepresult.py
+++ b/openmc/deplete/stepresult.py
@@ -318,10 +318,11 @@ class StepResult:
                               chunks=(1, 1, n_mats, n_nuc_number),
                               dtype='float64')
 
-        handle.create_dataset("reaction rates", (1, n_stages, n_mats, n_nuc_rxn, n_rxn),
-                              maxshape=(None, n_stages, n_mats, n_nuc_rxn, n_rxn),
-                              chunks=(1, 1, n_mats, n_nuc_rxn, n_rxn),
-                              dtype='float64')
+        if n_nuc_rxn > 0 and n_rxn > 0:
+            handle.create_dataset("reaction rates", (1, n_stages, n_mats, n_nuc_rxn, n_rxn),
+                                maxshape=(None, n_stages, n_mats, n_nuc_rxn, n_rxn),
+                                chunks=(1, 1, n_mats, n_nuc_rxn, n_rxn),
+                                dtype='float64')
 
         handle.create_dataset("eigenvalues", (1, n_stages, 2),
                               maxshape=(None, n_stages, 2), dtype='float64')
@@ -358,7 +359,9 @@ class StepResult:
 
         # Grab handles
         number_dset = handle["/number"]
-        rxn_dset = handle["/reaction rates"]
+        has_reactions = ("reaction rates" in handle)
+        if has_reactions:
+            rxn_dset = handle["/reaction rates"]
         eigenvalues_dset = handle["/eigenvalues"]
         time_dset = handle["/time"]
         source_rate_dset = handle["/source_rate"]
@@ -375,9 +378,10 @@ class StepResult:
             number_shape[0] = new_shape
             number_dset.resize(number_shape)
 
-            rxn_shape = list(rxn_dset.shape)
-            rxn_shape[0] = new_shape
-            rxn_dset.resize(rxn_shape)
+            if has_reactions:
+                rxn_shape = list(rxn_dset.shape)
+                rxn_shape[0] = new_shape
+                rxn_dset.resize(rxn_shape)
 
             eigenvalues_shape = list(eigenvalues_dset.shape)
             eigenvalues_shape[0] = new_shape
@@ -407,7 +411,8 @@ class StepResult:
         high = max(inds)
         for i in range(n_stages):
             number_dset[index, i, low:high+1] = self.data[i]
-            rxn_dset[index, i, low:high+1] = self.rates[i]
+            if has_reactions:
+                rxn_dset[index, i, low:high+1] = self.rates[i]
             if comm.rank == 0:
                 eigenvalues_dset[index, i] = self.k[i]
         if comm.rank == 0:
@@ -483,7 +488,8 @@ class StepResult:
         for i in range(results.n_stages):
             rate = ReactionRates(results.index_mat, rxn_nuc_to_ind, rxn_to_ind, True)
 
-            rate[:] = handle["/reaction rates"][step, i, :, :, :]
+            if "reaction rates" in handle:
+                rate[:] = handle["/reaction rates"][step, i, :, :, :]
             results.rates.append(rate)
 
         return results
diff --git a/tests/unit_tests/test_deplete_decay_products.py b/tests/unit_tests/test_deplete_decay_products.py
new file mode 100644
index 000000000..34ca1b067
--- /dev/null
+++ b/tests/unit_tests/test_deplete_decay_products.py
@@ -0,0 +1,43 @@
+import openmc.deplete
+import pytest
+
+
+def test_deplete_decay_products(run_in_tmpdir):
+    # Create chain file with H1, He4, and Li5
+    with open('test_chain.xml', 'w') as chain_file:
+        chain_file.write("""
+<depletion_chain>
+  <nuclide name="H1" reactions="0">
+  </nuclide>
+  <nuclide name="He4" reactions="0"/>
+  <nuclide name="Li5" half_life="3.06868e-22" decay_modes="1" decay_energy="1965000.0" reactions="0">
+    <decay type="alpha" target="H1" branching_ratio="1.0"/>
+  </nuclide>
+</depletion_chain>
+        """)
+
+    # Create depletion operator with no reactions
+    micro_xs = openmc.deplete.MicroXS()
+    op = openmc.deplete.IndependentOperator.from_nuclides(
+        volume=1.0,
+        nuclides={'Li5': 1.0},
+        micro_xs=micro_xs,
+        chain_file='test_chain.xml',
+        normalization_mode='source-rate'
+    )
+
+    # Create time-integrator and integrate
+    integrator = openmc.deplete.PredictorIntegrator(
+        op, timesteps=[1.0], source_rates=[0.0], timestep_units='d'
+    )
+    integrator.integrate(final_step=False)
+
+    # Get concentration of H1 and He4
+    results = openmc.deplete.Results('depletion_results.h5')
+    _, h1 = results.get_atoms("1", "H1")
+    _, he4 = results.get_atoms("1", "He4")
+
+    # Since we started with 1e24 atoms of Li5, we should have 1e24 atoms of both
+    # H1 and He4
+    assert h1[1] == pytest.approx(1e24)
+    assert he4[1] == pytest.approx(1e24)

From cf96ddf8bbedac4d72e1730e313d5b7a9cd94284 Mon Sep 17 00:00:00 2001
From: Jose Ignacio Marquez Damian <22483345+marquezj@users.noreply.github.com>
Date: Thu, 17 Nov 2022 13:47:03 +0100
Subject: [PATCH 1281/2654] Basic introduction to NCrystal

Included references to the main papers and documentation
---
 docs/source/methods/cross_sections.rst | 25 +++++++++++++++++++++++++
 1 file changed, 25 insertions(+)

diff --git a/docs/source/methods/cross_sections.rst b/docs/source/methods/cross_sections.rst
index 3396d7f25..c700b3f2d 100644
--- a/docs/source/methods/cross_sections.rst
+++ b/docs/source/methods/cross_sections.rst
@@ -178,6 +178,24 @@ been selected. There are three methods available:
             section data is loaded for a single temperature and is used in the
             unresolved resonance and fast energy ranges.
 
+------------------
+NCrystal materials
+------------------
+
+As an alternative of the standard thermal scattering treatment using :math:`S(\alpha,\beta)`
+tables, OpenMC allows to create materials using NCrystal_. In addition to the regular thermal elastic,
+and thermal inelastic processes, NCrystal allows the generation of models for materials that 
+cannot currently included in ACE files such as oriented single crystals (see the `NCrystal paper`_),
+and further extend the physics `using plugins`_. Thermal scattering kernels are generated on
+the fly from dynamic and structural data, or loaded from :math:`S(\alpha,\beta)` tables converted
+from ENDF6 evaluations. These kernels are sampled in a direct way using a fast `rejection algorithm`_ 
+that does not require previous processing. A `large library` of materials is already included in
+the NCrystal distribution, and new materials can be easily defined from scratch in the `NCMAT format`
+or `combining existing files`.
+
+The compositions of the materials defined in NCrystal are passed on to OpenMC all other reactions 
+except for thermal neutron scattering are handled by continuous energy ACE libraries.
+
 ----------------
 Multi-Group Data
 ----------------
@@ -279,3 +297,10 @@ or even isotropic scattering.
 .. _ENDF/B data: https://www.nndc.bnl.gov/endf-b8.0/
 .. _Leppanen: https://doi.org/10.1016/j.anucene.2009.03.019
 .. _algorithms: http://ab-initio.mit.edu/wiki/index.php/Faddeeva_Package
+.. _NCrystal: https://github.com/mctools/ncrystal
+.. _NCrystal paper: https://doi.org/10.1016/j.cpc.2019.07.015
+.. _using plugins: https://doi.org/10.1016/j.cpc.2021.108082
+.. _rejection algorithm: https://doi.org/10.1016/j.jcp.2018.11.043
+.. _large library: https://github.com/mctools/ncrystal/wiki/Data-library
+.. _NCMAT format: https://github.com/mctools/ncrystal/wiki/NCMAT-format
+.. _combining existing files: https://github.com/mctools/ncrystal/wiki/Announcement-Release3.0.0#2-multiphase-materials

From 24572a71f22b588eb628e855618a4a4a27a63e4c Mon Sep 17 00:00:00 2001
From: Jose Ignacio Marquez Damian <marquezj@ess.eu>
Date: Thu, 17 Nov 2022 16:33:48 +0100
Subject: [PATCH 1282/2654] Added simple NCrystal test

---
 tests/regression_tests/ncrystal/__init__.py   |   0
 .../regression_tests/ncrystal/inputs_true.dat |  45 +++++
 .../ncrystal/results_true.dat                 | 181 ++++++++++++++++++
 tests/regression_tests/ncrystal/test.py       |  70 +++++++
 4 files changed, 296 insertions(+)
 create mode 100644 tests/regression_tests/ncrystal/__init__.py
 create mode 100644 tests/regression_tests/ncrystal/inputs_true.dat
 create mode 100644 tests/regression_tests/ncrystal/results_true.dat
 create mode 100644 tests/regression_tests/ncrystal/test.py

diff --git a/tests/regression_tests/ncrystal/__init__.py b/tests/regression_tests/ncrystal/__init__.py
new file mode 100644
index 000000000..e69de29bb
diff --git a/tests/regression_tests/ncrystal/inputs_true.dat b/tests/regression_tests/ncrystal/inputs_true.dat
new file mode 100644
index 000000000..7a3f20eb3
--- /dev/null
+++ b/tests/regression_tests/ncrystal/inputs_true.dat
@@ -0,0 +1,45 @@
+<?xml version='1.0' encoding='utf-8'?>
+<geometry>
+  <cell id="1" material="1" region="-1" universe="1" />
+  <cell id="2" material="void" region="1 -2" universe="1" />
+  <surface coeffs="0.0 0.0 0.0 0.1" id="1" type="sphere" />
+  <surface boundary="vacuum" coeffs="0.0 0.0 0.0 100" id="2" type="sphere" />
+</geometry>
+<?xml version='1.0' encoding='utf-8'?>
+<materials>
+  <material cfg="Al_sg225.ncmat" id="1" temperature="293.15">
+    <density units="g/cm3" value="2.6986455176922477" />
+    <nuclide ao="1.0" name="Al27" />
+  </material>
+</materials>
+<?xml version='1.0' encoding='utf-8'?>
+<settings>
+  <run_mode>fixed source</run_mode>
+  <particles>100000</particles>
+  <batches>10</batches>
+  <source strength="1.0">
+    <space type="point">
+      <parameters>0 0 -20</parameters>
+    </space>
+    <angle reference_uvw="0.0 0.0 1.0" type="monodirectional" />
+    <energy type="discrete">
+      <parameters>0.012 1.0</parameters>
+    </energy>
+  </source>
+</settings>
+<?xml version='1.0' encoding='utf-8'?>
+<tallies>
+  <filter id="1" type="surface">
+    <bins>1</bins>
+  </filter>
+  <filter id="2" type="polar">
+    <bins>0.0 0.017453292519943295 0.03490658503988659 0.05235987755982989 0.06981317007977318 0.08726646259971647 0.10471975511965978 0.12217304763960307 0.13962634015954636 0.15707963267948966 0.17453292519943295 0.19198621771937624 0.20943951023931956 0.22689280275926285 0.24434609527920614 0.2617993877991494 0.2792526803190927 0.29670597283903605 0.3141592653589793 0.33161255787892263 0.3490658503988659 0.3665191429188092 0.3839724354387525 0.4014257279586958 0.4188790204786391 0.4363323129985824 0.4537856055185257 0.47123889803846897 0.4886921905584123 0.5061454830783556 0.5235987755982988 0.5410520681182421 0.5585053606381855 0.5759586531581288 0.5934119456780721 0.6108652381980153 0.6283185307179586 0.6457718232379019 0.6632251157578453 0.6806784082777885 0.6981317007977318 0.7155849933176751 0.7330382858376184 0.7504915783575618 0.767944870877505 0.7853981633974483 0.8028514559173916 0.8203047484373349 0.8377580409572782 0.8552113334772214 0.8726646259971648 0.8901179185171081 0.9075712110370514 0.9250245035569946 0.9424777960769379 0.9599310885968813 0.9773843811168246 0.9948376736367679 1.0122909661567112 1.0297442586766545 1.0471975511965976 1.064650843716541 1.0821041362364843 1.0995574287564276 1.117010721276371 1.1344640137963142 1.1519173063162575 1.1693705988362009 1.1868238913561442 1.2042771838760873 1.2217304763960306 1.239183768915974 1.2566370614359172 1.2740903539558606 1.2915436464758039 1.3089969389957472 1.3264502315156905 1.3439035240356338 1.361356816555577 1.3788101090755203 1.3962634015954636 1.413716694115407 1.4311699866353502 1.4486232791552935 1.4660765716752369 1.4835298641951802 1.5009831567151235 1.5184364492350666 1.53588974175501 1.5533430342749532 1.5707963267948966 1.5882496193148399 1.6057029118347832 1.6231562043547265 1.6406094968746698 1.6580627893946132 1.6755160819145565 1.6929693744344996 1.710422666954443 1.7278759594743862 1.7453292519943295 1.7627825445142729 1.7802358370342162 1.7976891295541595 1.8151424220741028 1.8325957145940461 1.8500490071139892 1.8675022996339325 1.8849555921538759 1.9024088846738192 1.9198621771937625 1.9373154697137058 1.9547687622336491 1.9722220547535925 1.9896753472735358 2.007128639793479 2.0245819323134224 2.0420352248333655 2.059488517353309 2.076941809873252 2.0943951023931953 2.111848394913139 2.129301687433082 2.1467549799530254 2.1642082724729685 2.181661564992912 2.199114857512855 2.2165681500327987 2.234021442552742 2.251474735072685 2.2689280275926285 2.2863813201125716 2.303834612632515 2.321287905152458 2.3387411976724017 2.356194490192345 2.3736477827122884 2.3911010752322315 2.4085543677521746 2.426007660272118 2.443460952792061 2.4609142453120048 2.478367537831948 2.4958208303518914 2.5132741228718345 2.530727415391778 2.548180707911721 2.5656340004316642 2.5830872929516078 2.600540585471551 2.6179938779914944 2.6354471705114375 2.652900463031381 2.670353755551324 2.6878070480712677 2.705260340591211 2.722713633111154 2.7401669256310974 2.7576202181510405 2.775073510670984 2.792526803190927 2.8099800957108707 2.827433388230814 2.8448866807507573 2.8623399732707004 2.8797932657906435 2.897246558310587 2.91469985083053 2.9321531433504737 2.949606435870417 2.9670597283903604 2.9845130209103035 3.001966313430247 3.01941960595019 3.036872898470133 3.0543261909900767 3.07177948351002 3.0892327760299634 3.1066860685499065 3.12413936106985 3.141592653589793</bins>
+  </filter>
+  <filter id="3" type="cellfrom">
+    <bins>1</bins>
+  </filter>
+  <tally id="1" name="angular distribution">
+    <filters>1 2 3</filters>
+    <scores>current</scores>
+  </tally>
+</tallies>
diff --git a/tests/regression_tests/ncrystal/results_true.dat b/tests/regression_tests/ncrystal/results_true.dat
new file mode 100644
index 000000000..3ef0306fd
--- /dev/null
+++ b/tests/regression_tests/ncrystal/results_true.dat
@@ -0,0 +1,181 @@
+     surface  polar low [rad]  polar high [rad]  cellfrom nuclide    score     mean  std. dev.
+0          1         0.00e+00          1.75e-02         1   total  current 9.82e-01   1.43e-04
+1          1         1.75e-02          3.49e-02         1   total  current 0.00e+00   0.00e+00
+2          1         3.49e-02          5.24e-02         1   total  current 1.00e-06   1.00e-06
+3          1         5.24e-02          6.98e-02         1   total  current 0.00e+00   0.00e+00
+4          1         6.98e-02          8.73e-02         1   total  current 0.00e+00   0.00e+00
+5          1         8.73e-02          1.05e-01         1   total  current 1.00e-06   1.00e-06
+6          1         1.05e-01          1.22e-01         1   total  current 0.00e+00   0.00e+00
+7          1         1.22e-01          1.40e-01         1   total  current 1.00e-06   1.00e-06
+8          1         1.40e-01          1.57e-01         1   total  current 1.00e-06   1.00e-06
+9          1         1.57e-01          1.75e-01         1   total  current 1.00e-06   1.00e-06
+10         1         1.75e-01          1.92e-01         1   total  current 0.00e+00   0.00e+00
+11         1         1.92e-01          2.09e-01         1   total  current 2.00e-06   1.33e-06
+12         1         2.09e-01          2.27e-01         1   total  current 0.00e+00   0.00e+00
+13         1         2.27e-01          2.44e-01         1   total  current 1.00e-06   1.00e-06
+14         1         2.44e-01          2.62e-01         1   total  current 1.00e-06   1.00e-06
+15         1         2.62e-01          2.79e-01         1   total  current 2.00e-06   1.33e-06
+16         1         2.79e-01          2.97e-01         1   total  current 0.00e+00   0.00e+00
+17         1         2.97e-01          3.14e-01         1   total  current 2.00e-06   2.00e-06
+18         1         3.14e-01          3.32e-01         1   total  current 1.00e-06   1.00e-06
+19         1         3.32e-01          3.49e-01         1   total  current 1.00e-06   1.00e-06
+20         1         3.49e-01          3.67e-01         1   total  current 2.00e-06   1.33e-06
+21         1         3.67e-01          3.84e-01         1   total  current 0.00e+00   0.00e+00
+22         1         3.84e-01          4.01e-01         1   total  current 2.00e-06   1.33e-06
+23         1         4.01e-01          4.19e-01         1   total  current 2.00e-06   1.33e-06
+24         1         4.19e-01          4.36e-01         1   total  current 1.00e-06   1.00e-06
+25         1         4.36e-01          4.54e-01         1   total  current 2.00e-06   2.00e-06
+26         1         4.54e-01          4.71e-01         1   total  current 5.00e-06   2.24e-06
+27         1         4.71e-01          4.89e-01         1   total  current 4.00e-06   1.63e-06
+28         1         4.89e-01          5.06e-01         1   total  current 3.00e-06   1.53e-06
+29         1         5.06e-01          5.24e-01         1   total  current 3.00e-06   1.53e-06
+30         1         5.24e-01          5.41e-01         1   total  current 3.00e-06   1.53e-06
+31         1         5.41e-01          5.59e-01         1   total  current 7.00e-06   2.13e-06
+32         1         5.59e-01          5.76e-01         1   total  current 3.00e-06   1.53e-06
+33         1         5.76e-01          5.93e-01         1   total  current 3.00e-06   1.53e-06
+34         1         5.93e-01          6.11e-01         1   total  current 2.00e-06   1.33e-06
+35         1         6.11e-01          6.28e-01         1   total  current 2.00e-06   1.33e-06
+36         1         6.28e-01          6.46e-01         1   total  current 3.00e-06   2.13e-06
+37         1         6.46e-01          6.63e-01         1   total  current 3.00e-06   1.53e-06
+38         1         6.63e-01          6.81e-01         1   total  current 2.00e-06   1.33e-06
+39         1         6.81e-01          6.98e-01         1   total  current 3.00e-06   1.53e-06
+40         1         6.98e-01          7.16e-01         1   total  current 1.00e-06   1.00e-06
+41         1         7.16e-01          7.33e-01         1   total  current 6.00e-06   2.67e-06
+42         1         7.33e-01          7.50e-01         1   total  current 6.00e-06   2.21e-06
+43         1         7.50e-01          7.68e-01         1   total  current 7.00e-06   3.35e-06
+44         1         7.68e-01          7.85e-01         1   total  current 6.00e-06   2.67e-06
+45         1         7.85e-01          8.03e-01         1   total  current 6.00e-06   2.21e-06
+46         1         8.03e-01          8.20e-01         1   total  current 7.00e-06   2.13e-06
+47         1         8.20e-01          8.38e-01         1   total  current 5.00e-06   2.24e-06
+48         1         8.38e-01          8.55e-01         1   total  current 3.00e-06   1.53e-06
+49         1         8.55e-01          8.73e-01         1   total  current 8.00e-06   3.27e-06
+50         1         8.73e-01          8.90e-01         1   total  current 7.00e-06   2.13e-06
+51         1         8.90e-01          9.08e-01         1   total  current 6.00e-06   2.21e-06
+52         1         9.08e-01          9.25e-01         1   total  current 4.00e-06   2.21e-06
+53         1         9.25e-01          9.42e-01         1   total  current 1.20e-05   3.27e-06
+54         1         9.42e-01          9.60e-01         1   total  current 8.00e-06   3.89e-06
+55         1         9.60e-01          9.77e-01         1   total  current 1.20e-05   4.42e-06
+56         1         9.77e-01          9.95e-01         1   total  current 7.00e-06   3.67e-06
+57         1         9.95e-01          1.01e+00         1   total  current 1.20e-05   3.89e-06
+58         1         1.01e+00          1.03e+00         1   total  current 9.00e-06   2.33e-06
+59         1         1.03e+00          1.05e+00         1   total  current 6.00e-06   2.67e-06
+60         1         1.05e+00          1.06e+00         1   total  current 7.00e-06   2.13e-06
+61         1         1.06e+00          1.08e+00         1   total  current 5.00e-06   2.24e-06
+62         1         1.08e+00          1.10e+00         1   total  current 1.20e-05   2.91e-06
+63         1         1.10e+00          1.12e+00         1   total  current 1.30e-05   3.35e-06
+64         1         1.12e+00          1.13e+00         1   total  current 9.00e-06   3.14e-06
+65         1         1.13e+00          1.15e+00         1   total  current 1.20e-05   3.89e-06
+66         1         1.15e+00          1.17e+00         1   total  current 6.00e-06   2.21e-06
+67         1         1.17e+00          1.19e+00         1   total  current 5.11e-03   4.20e-05
+68         1         1.19e+00          1.20e+00         1   total  current 8.00e-06   3.27e-06
+69         1         1.20e+00          1.22e+00         1   total  current 1.30e-05   4.48e-06
+70         1         1.22e+00          1.24e+00         1   total  current 1.20e-05   3.89e-06
+71         1         1.24e+00          1.26e+00         1   total  current 1.50e-05   4.28e-06
+72         1         1.26e+00          1.27e+00         1   total  current 7.00e-06   3.00e-06
+73         1         1.27e+00          1.29e+00         1   total  current 1.60e-05   3.71e-06
+74         1         1.29e+00          1.31e+00         1   total  current 9.00e-06   3.79e-06
+75         1         1.31e+00          1.33e+00         1   total  current 1.30e-05   2.60e-06
+76         1         1.33e+00          1.34e+00         1   total  current 1.60e-05   3.06e-06
+77         1         1.34e+00          1.36e+00         1   total  current 1.40e-05   2.67e-06
+78         1         1.36e+00          1.38e+00         1   total  current 1.40e-05   6.86e-06
+79         1         1.38e+00          1.40e+00         1   total  current 1.50e-05   4.28e-06
+80         1         1.40e+00          1.41e+00         1   total  current 3.26e-03   6.93e-05
+81         1         1.41e+00          1.43e+00         1   total  current 1.40e-05   3.71e-06
+82         1         1.43e+00          1.45e+00         1   total  current 1.30e-05   3.00e-06
+83         1         1.45e+00          1.47e+00         1   total  current 1.30e-05   3.67e-06
+84         1         1.47e+00          1.48e+00         1   total  current 1.70e-05   5.59e-06
+85         1         1.48e+00          1.50e+00         1   total  current 1.70e-05   3.67e-06
+86         1         1.50e+00          1.52e+00         1   total  current 1.40e-05   3.40e-06
+87         1         1.52e+00          1.54e+00         1   total  current 2.50e-05   4.53e-06
+88         1         1.54e+00          1.55e+00         1   total  current 1.30e-05   5.39e-06
+89         1         1.55e+00          1.57e+00         1   total  current 1.80e-05   4.67e-06
+90         1         1.57e+00          1.59e+00         1   total  current 1.40e-05   4.52e-06
+91         1         1.59e+00          1.61e+00         1   total  current 1.70e-05   4.23e-06
+92         1         1.61e+00          1.62e+00         1   total  current 1.40e-05   3.71e-06
+93         1         1.62e+00          1.64e+00         1   total  current 1.00e-05   2.11e-06
+94         1         1.64e+00          1.66e+00         1   total  current 2.00e-05   4.22e-06
+95         1         1.66e+00          1.68e+00         1   total  current 2.30e-05   5.59e-06
+96         1         1.68e+00          1.69e+00         1   total  current 1.70e-05   6.51e-06
+97         1         1.69e+00          1.71e+00         1   total  current 1.30e-05   3.00e-06
+98         1         1.71e+00          1.73e+00         1   total  current 1.50e-05   4.01e-06
+99         1         1.73e+00          1.75e+00         1   total  current 1.70e-05   3.96e-06
+100        1         1.75e+00          1.76e+00         1   total  current 1.80e-05   5.12e-06
+101        1         1.76e+00          1.78e+00         1   total  current 2.50e-05   6.54e-06
+102        1         1.78e+00          1.80e+00         1   total  current 1.80e-05   3.59e-06
+103        1         1.80e+00          1.82e+00         1   total  current 1.50e-05   4.01e-06
+104        1         1.82e+00          1.83e+00         1   total  current 1.10e-05   4.07e-06
+105        1         1.83e+00          1.85e+00         1   total  current 1.50e-05   4.01e-06
+106        1         1.85e+00          1.87e+00         1   total  current 1.90e-05   4.82e-06
+107        1         1.87e+00          1.88e+00         1   total  current 2.20e-05   3.89e-06
+108        1         1.88e+00          1.90e+00         1   total  current 2.10e-05   3.79e-06
+109        1         1.90e+00          1.92e+00         1   total  current 1.50e-05   3.42e-06
+110        1         1.92e+00          1.94e+00         1   total  current 2.20e-05   5.12e-06
+111        1         1.94e+00          1.95e+00         1   total  current 2.10e-05   5.86e-06
+112        1         1.95e+00          1.97e+00         1   total  current 2.60e-05   4.27e-06
+113        1         1.97e+00          1.99e+00         1   total  current 2.20e-05   4.16e-06
+114        1         1.99e+00          2.01e+00         1   total  current 2.40e-05   5.42e-06
+115        1         2.01e+00          2.02e+00         1   total  current 1.60e-05   4.52e-06
+116        1         2.02e+00          2.04e+00         1   total  current 1.30e-05   3.35e-06
+117        1         2.04e+00          2.06e+00         1   total  current 1.90e-05   4.07e-06
+118        1         2.06e+00          2.08e+00         1   total  current 1.30e-05   3.00e-06
+119        1         2.08e+00          2.09e+00         1   total  current 1.40e-05   4.00e-06
+120        1         2.09e+00          2.11e+00         1   total  current 3.10e-05   5.47e-06
+121        1         2.11e+00          2.13e+00         1   total  current 2.30e-05   5.39e-06
+122        1         2.13e+00          2.15e+00         1   total  current 2.20e-05   4.67e-06
+123        1         2.15e+00          2.16e+00         1   total  current 1.70e-05   4.48e-06
+124        1         2.16e+00          2.18e+00         1   total  current 1.60e-05   4.00e-06
+125        1         2.18e+00          2.20e+00         1   total  current 1.80e-05   4.16e-06
+126        1         2.20e+00          2.22e+00         1   total  current 1.80e-05   4.42e-06
+127        1         2.22e+00          2.23e+00         1   total  current 1.80e-05   5.54e-06
+128        1         2.23e+00          2.25e+00         1   total  current 1.90e-05   4.33e-06
+129        1         2.25e+00          2.27e+00         1   total  current 1.00e-05   3.33e-06
+130        1         2.27e+00          2.29e+00         1   total  current 1.80e-05   4.42e-06
+131        1         2.29e+00          2.30e+00         1   total  current 4.15e-03   5.40e-05
+132        1         2.30e+00          2.32e+00         1   total  current 1.90e-05   2.33e-06
+133        1         2.32e+00          2.34e+00         1   total  current 2.30e-05   3.96e-06
+134        1         2.34e+00          2.36e+00         1   total  current 1.90e-05   3.48e-06
+135        1         2.36e+00          2.37e+00         1   total  current 1.60e-05   3.71e-06
+136        1         2.37e+00          2.39e+00         1   total  current 1.60e-05   4.27e-06
+137        1         2.39e+00          2.41e+00         1   total  current 2.30e-05   4.48e-06
+138        1         2.41e+00          2.43e+00         1   total  current 2.10e-05   3.48e-06
+139        1         2.43e+00          2.44e+00         1   total  current 1.60e-05   2.21e-06
+140        1         2.44e+00          2.46e+00         1   total  current 9.00e-06   2.77e-06
+141        1         2.46e+00          2.48e+00         1   total  current 1.30e-05   3.00e-06
+142        1         2.48e+00          2.50e+00         1   total  current 2.70e-05   3.67e-06
+143        1         2.50e+00          2.51e+00         1   total  current 1.90e-05   4.07e-06
+144        1         2.51e+00          2.53e+00         1   total  current 1.20e-05   4.16e-06
+145        1         2.53e+00          2.55e+00         1   total  current 1.30e-05   2.13e-06
+146        1         2.55e+00          2.57e+00         1   total  current 1.10e-05   2.33e-06
+147        1         2.57e+00          2.58e+00         1   total  current 1.50e-05   3.07e-06
+148        1         2.58e+00          2.60e+00         1   total  current 1.20e-05   2.49e-06
+149        1         2.60e+00          2.62e+00         1   total  current 1.80e-05   5.54e-06
+150        1         2.62e+00          2.64e+00         1   total  current 1.30e-05   3.67e-06
+151        1         2.64e+00          2.65e+00         1   total  current 1.60e-05   3.40e-06
+152        1         2.65e+00          2.67e+00         1   total  current 7.00e-06   3.35e-06
+153        1         2.67e+00          2.69e+00         1   total  current 1.00e-05   2.98e-06
+154        1         2.69e+00          2.71e+00         1   total  current 7.00e-06   3.35e-06
+155        1         2.71e+00          2.72e+00         1   total  current 1.20e-05   2.91e-06
+156        1         2.72e+00          2.74e+00         1   total  current 9.00e-06   2.33e-06
+157        1         2.74e+00          2.76e+00         1   total  current 1.00e-05   3.33e-06
+158        1         2.76e+00          2.78e+00         1   total  current 1.10e-05   3.14e-06
+159        1         2.78e+00          2.79e+00         1   total  current 1.00e-05   3.33e-06
+160        1         2.79e+00          2.81e+00         1   total  current 1.40e-05   4.76e-06
+161        1         2.81e+00          2.83e+00         1   total  current 8.00e-06   2.91e-06
+162        1         2.83e+00          2.84e+00         1   total  current 5.00e-06   2.69e-06
+163        1         2.84e+00          2.86e+00         1   total  current 6.00e-06   2.21e-06
+164        1         2.86e+00          2.88e+00         1   total  current 5.00e-06   1.67e-06
+165        1         2.88e+00          2.90e+00         1   total  current 4.00e-06   2.21e-06
+166        1         2.90e+00          2.91e+00         1   total  current 7.00e-06   2.13e-06
+167        1         2.91e+00          2.93e+00         1   total  current 6.00e-06   2.67e-06
+168        1         2.93e+00          2.95e+00         1   total  current 7.00e-06   2.13e-06
+169        1         2.95e+00          2.97e+00         1   total  current 5.00e-06   1.67e-06
+170        1         2.97e+00          2.98e+00         1   total  current 3.00e-06   1.53e-06
+171        1         2.98e+00          3.00e+00         1   total  current 6.00e-06   2.21e-06
+172        1         3.00e+00          3.02e+00         1   total  current 3.00e-06   1.53e-06
+173        1         3.02e+00          3.04e+00         1   total  current 1.00e-05   2.98e-06
+174        1         3.04e+00          3.05e+00         1   total  current 2.00e-06   1.33e-06
+175        1         3.05e+00          3.07e+00         1   total  current 1.00e-06   1.00e-06
+176        1         3.07e+00          3.09e+00         1   total  current 2.00e-06   1.33e-06
+177        1         3.09e+00          3.11e+00         1   total  current 0.00e+00   0.00e+00
+178        1         3.11e+00          3.12e+00         1   total  current 1.00e-06   1.00e-06
+179        1         3.12e+00          3.14e+00         1   total  current 0.00e+00   0.00e+00
\ No newline at end of file
diff --git a/tests/regression_tests/ncrystal/test.py b/tests/regression_tests/ncrystal/test.py
new file mode 100644
index 000000000..51a0f07b7
--- /dev/null
+++ b/tests/regression_tests/ncrystal/test.py
@@ -0,0 +1,70 @@
+import numpy as np
+import openmc
+from tests.testing_harness import PyAPITestHarness
+
+def compute_angular_distribution(cfg, E0, N):
+    """Return a openmc.model.Model() object for a monoenergetic pencil
+     beam hitting a 1 mm sphere filled with the material defined by
+     the cfg string, and compute the angular distribution"""
+
+    # Material definition
+
+    m1 = openmc.Material.from_ncrystal(cfg)
+    materials = openmc.Materials([m1])
+
+    # Geometry definition
+
+    sample_sphere = openmc.Sphere(r=0.1)
+    outer_sphere = openmc.Sphere(r=100, boundary_type="vacuum")
+    cell1 = openmc.Cell(region= -sample_sphere, fill=m1)
+    cell2_region= +sample_sphere&-outer_sphere
+    cell2 = openmc.Cell(region= cell2_region, fill=None)
+    uni1 = openmc.Universe(cells=[cell1, cell2])
+    geometry = openmc.Geometry(uni1)
+
+    # Source definition
+
+    source = openmc.Source()
+    source.space = openmc.stats.Point(xyz = (0,0,-20))
+    source.angle = openmc.stats.Monodirectional(reference_uvw = (0,0,1))
+    source.energy = openmc.stats.Discrete([E0], [1.0])
+
+    # Execution settings
+
+    settings = openmc.Settings()
+    settings.source = source
+    settings.run_mode = "fixed source"
+    settings.batches = 10
+    settings.particles = N
+
+    # Tally definition
+
+    tally1 = openmc.Tally(name="angular distribution")
+    tally1.scores = ["current"]
+    filter1 = openmc.filter.SurfaceFilter(sample_sphere)
+    filter2 = openmc.filter.PolarFilter(np.linspace(0,np.pi,180+1))
+    filter3 = openmc.filter.CellFromFilter(cell1)
+    tally1.filters = [filter1, filter2, filter3]
+    tallies = openmc.Tallies([tally1])
+
+    return openmc.model.Model(geometry, materials, settings, tallies)
+
+
+class NCrystalTest(PyAPITestHarness):
+    def _get_results(self):
+        """Digest info in the statepoint and return as a string."""
+
+        # Read the statepoint file.
+        sp = openmc.StatePoint(self._sp_name)
+        tal = sp.get_tally(name='angular distribution')
+        df = tal.get_pandas_dataframe()
+        return df.to_string()
+
+def test_ncrystal():
+    NParticles = 100000
+    T = 293.6 # K
+    E0 = 0.012 # eV
+    cfg = 'Al_sg225.ncmat'
+    test = compute_angular_distribution(cfg, E0, NParticles)
+    harness = NCrystalTest('statepoint.10.h5', model=test)
+    harness.main()

From a17fe6cc828dd6a54166aa4065eafc0deb145dad Mon Sep 17 00:00:00 2001
From: jiankai-yu <jiankai.yu10@gmail.com>
Date: Thu, 17 Nov 2022 23:57:01 -0500
Subject: [PATCH 1283/2654] Add decay heat function in material (#2287)

* add decay heat in material.py

* add decay_energy.json into eggs

* fix a bug when returned decay_ery is None

* add unit test for decayheat

* fix typo in doc string

* address reviewer's comments

* add user defined decay energy

* remove json for decay energy

* address a few comments

* add to docs
---
 docs/source/pythonapi/data.rst    |  1 +
 openmc/data/decay.py              | 46 +++++++++++++++++++++++++++++++
 openmc/material.py                | 43 +++++++++++++++++++++++++++++
 tests/chain_simple.xml            |  4 +--
 tests/unit_tests/test_material.py | 46 +++++++++++++++++++++++++++++++
 5 files changed, 138 insertions(+), 2 deletions(-)

diff --git a/docs/source/pythonapi/data.rst b/docs/source/pythonapi/data.rst
index 55289864f..960abec2f 100644
--- a/docs/source/pythonapi/data.rst
+++ b/docs/source/pythonapi/data.rst
@@ -63,6 +63,7 @@ Core Functions
     atomic_weight
     combine_distributions
     decay_constant
+    decay_energy
     decay_photon_energy
     dose_coefficients
     gnd_name
diff --git a/openmc/data/decay.py b/openmc/data/decay.py
index 8268d4a36..0db842201 100644
--- a/openmc/data/decay.py
+++ b/openmc/data/decay.py
@@ -621,3 +621,49 @@ def decay_photon_energy(nuclide: str) -> Optional[Univariate]:
                  "sources listed.")
 
     return _DECAY_PHOTON_ENERGY.get(nuclide)
+
+
+_DECAY_ENERGY = {}
+
+
+def decay_energy(nuclide: str):
+    """Get decay energy value resulting from the decay of a nuclide
+
+    This function relies on data stored in a depletion chain. Before calling it
+    for the first time, you need to ensure that a depletion chain has been
+    specified in openmc.config['chain_file'].
+
+    .. versionadded:: 0.13.3
+
+    Parameters
+    ----------
+    nuclide : str
+        Name of nuclide, e.g., 'H3'
+
+    Returns
+    -------
+    float
+        Decay energy of nuclide in [eV]. If the nuclide is stable, a value of
+        0.0 is returned.
+    """
+    if not _DECAY_ENERGY:
+        chain_file = openmc.config.get('chain_file')
+        if chain_file is None:
+            raise DataError(
+                "A depletion chain file must be specified with "
+                "openmc.config['chain_file'] in order to load decay data."
+            )
+
+        from openmc.deplete import Chain
+        chain = Chain.from_xml(chain_file)
+        for nuc in chain.nuclides:
+            if nuc.decay_energy:
+                _DECAY_ENERGY[nuc.name] = nuc.decay_energy
+
+        # If the chain file contained no decay energy, warn the user
+        if not _DECAY_ENERGY:
+            warn(f"Chain file '{chain_file}' does not have any decay energy.")
+
+    return _DECAY_ENERGY.get(nuclide, 0.0)
+
+
diff --git a/openmc/material.py b/openmc/material.py
index 10ade8bfe..420a08521 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -990,7 +990,50 @@ class Material(IDManagerMixin):
             activity[nuclide] = inv_seconds * 1e24 * atoms_per_bcm * multiplier
 
         return activity if by_nuclide else sum(activity.values())
+    
+    def get_decay_heat(self, units: str = 'W', by_nuclide: bool = False):
+        """Returns the decay heat of the material or for each nuclide in the
+        material in units of [W], [W/g] or [W/cm3].
 
+        .. versionadded:: 0.13.3
+
+        Parameters
+        ----------
+        units : {'W', 'W/g', 'W/cm3'}
+            Specifies the units of decay heat to return. Options include total
+            heat [W], specific [W/g] or volumetric heat [W/cm3].
+            Default is total heat [W].
+        by_nuclide : bool
+            Specifies if the decay heat should be returned for the material as a
+            whole or per nuclide. Default is False.
+
+        Returns
+        -------
+        Union[dict, float]
+            If `by_nuclide` is True then a dictionary whose keys are nuclide
+            names and values are decay heat is returned. Otherwise the decay heat
+            of the material is returned as a float.
+        """
+
+        cv.check_value('units', units, {'W', 'W/g', 'W/cm3'})
+        cv.check_type('by_nuclide', by_nuclide, bool)
+
+        if units == 'W':
+            multiplier = self.volume
+        elif units == 'W/cm3':
+            multiplier = 1
+        elif units == 'W/g':
+            multiplier = 1.0 / self.get_mass_density()
+        
+        decayheat = {} 
+        for nuclide, atoms_per_bcm in self.get_nuclide_atom_densities().items():
+            decay_erg = openmc.data.decay_energy(nuclide)
+            inv_seconds = openmc.data.decay_constant(nuclide)
+            decay_erg *= openmc.data.JOULE_PER_EV
+            decayheat[nuclide] = inv_seconds * decay_erg * 1e24 * atoms_per_bcm * multiplier
+
+        return decayheat if by_nuclide else sum(decayheat.values()) 
+    
     def get_nuclide_atoms(self):
         """Return number of atoms of each nuclide in the material
 
diff --git a/tests/chain_simple.xml b/tests/chain_simple.xml
index 28c5739c9..4e08995a8 100644
--- a/tests/chain_simple.xml
+++ b/tests/chain_simple.xml
@@ -1,13 +1,13 @@
 <?xml version="1.0"?>
 <depletion_chain>
-  <nuclide name="I135" decay_modes="1" reactions="1" half_life="2.36520E+04">
+  <nuclide name="I135" decay_modes="1" reactions="1" half_life="2.36520E+04" decay_energy="1916827.5">
     <decay type="beta" target="Xe135" branching_ratio="1.0" />
     <reaction type="(n,gamma)" Q="0.0" target="Xe136" /> <!-- Not precisely true, but whatever -->
     <source type="discrete" particle="photon">
       <parameters>3696.125 4095.822 4477.27 5097.122 29452.1 29781.3 33566.5 33629.4 33865.1 33878.5 34395.3 34408.0 34486.2 34488.2 112780.0 113150.0 162650.0 165740.0 184490.0 197190.0 220502.0 229720.0 247500.0 254740.0 264260.0 288451.0 290270.0 304910.0 305830.0 326000.0 333600.0 342520.0 361850.0 403030.0 414830.0 417633.0 429930.0 433741.0 451630.0 530800.0 546557.0 575970.0 588280.0 616900.0 649850.0 656090.0 679220.0 684600.0 690130.0 707920.0 785480.0 795500.0 797710.0 807200.0 836804.0 960290.0 961430.0 971960.0 972620.0 995090.0 1038760.0 1096860.0 1101580.0 1124000.0 1131511.0 1151510.0 1159900.0 1169040.0 1225600.0 1240470.0 1254800.0 1260409.0 1315770.0 1334800.0 1343660.0 1367890.0 1441800.0 1448350.0 1457560.0 1502790.0 1521990.0 1543700.0 1566410.0 1678027.0 1706459.0 1791196.0 1830690.0 1845300.0 1927300.0 1948490.0 2045880.0 2112400.0 2151500.0 2189400.0 2255457.0 2408650.0 2466070.0 2477100.0 9.714352819815078e-10 7.460941651551526e-09 6.047882056201745e-09 8.510389107205747e-10 3.7979729633684727e-08 7.033747061198817e-08 6.602815946851458e-09 1.2800909198245071e-08 6.513060244589454e-11 8.894667887850525e-11 1.3843783302275766e-09 2.700005498135763e-09 1.2141115256573815e-11 1.654893875618862e-11 3.7007705885806645e-09 2.0186021392258173e-09 2.859686363903241e-09 9.16781804898392e-09 6.896890642354875e-09 9.588360161322631e-09 5.130613770532286e-07 7.06510748729036e-08 8.410842246774237e-09 6.7286737974193905e-09 5.3829390379355124e-08 9.083709626516178e-07 8.915492781580693e-08 9.251926471451662e-09 2.783988783682273e-08 6.728673797419391e-10 1.093409492080651e-08 2.5232526740322717e-10 5.467047460403255e-08 6.812782219887132e-08 8.83138435911295e-08 1.0345335963532313e-06 8.915492781580693e-08 1.623292553627428e-07 9.251926471451663e-08 9.251926471451662e-09 2.0942997194467853e-06 3.784879011048407e-08 1.513951604419363e-08 1.093409492080651e-08 1.337323917237104e-07 2.186818984161302e-08 1.5980600268871052e-08 6.7286737974193905e-09 3.784879011048407e-08 1.9344937167580748e-07 4.457746390790346e-08 6.7286737974193905e-09 5.0465053480645434e-08 1.3457347594838781e-08 1.9597262434983976e-06 1.0093010696129087e-08 4.289529545854862e-08 2.607361096500014e-07 3.53255374364518e-07 4.541854813258089e-08 2.329803302356464e-06 2.607361096500014e-08 4.7100716581935733e-07 1.059766123093554e-06 6.6193328482113254e-06 4.205421123387119e-10 3.027903208838726e-08 2.565306885266143e-07 1.2616263370161358e-08 2.649415307733885e-07 3.3643368987096953e-09 8.410842246774237e-06 1.934493716758075e-08 9.251926471451662e-09 2.2709274066290446e-08 1.7830985563161385e-07 5.046505348064544e-09 9.251926471451663e-08 2.5400743585258203e-06 3.154065842540339e-07 1.093409492080651e-08 7.569758022096815e-09 3.784879011048407e-07 2.8008104681758214e-06 1.2027504412887161e-06 2.26251656438227e-06 1.6989901338483962e-07 1.6821684493548476e-09 8.663167514177466e-08 1.8503852942903323e-08 2.5568960430193683e-07 2.0186021392258175e-08 6.560456952483906e-09 3.784879011048407e-09 1.7999202408096872e-07 2.800810468175822e-07 2.1027105616935597e-08 4.205421123387119e-10</parameters>
     </source>
   </nuclide>
-  <nuclide name="Xe135" decay_modes="1" reactions="1" half_life="3.29040E+04">
+  <nuclide name="Xe135" decay_modes="1" reactions="1" half_life="3.29040E+04" decay_energy="567890.1">
     <decay type=" beta" target="Cs135" branching_ratio="1.0" />
     <reaction type="(n,gamma)" Q="0.0" target="Xe136" />
     <source type="tabular" interpolation="histogram" particle="photon">
diff --git a/tests/unit_tests/test_material.py b/tests/unit_tests/test_material.py
index 80935d68d..e435c7493 100644
--- a/tests/unit_tests/test_material.py
+++ b/tests/unit_tests/test_material.py
@@ -545,6 +545,52 @@ def test_get_activity():
     assert pytest.approx(m4.get_activity(units='Bq')) == 355978108155965.94*3/2*10 # [Bq]
 
 
+def test_get_decay_heat():
+    # Set chain file for testing
+    openmc.config['chain_file'] = Path(__file__).parents[1] / 'chain_simple.xml'
+    
+    """Tests the decay heat of stable, metastable and active materials"""
+    m1 = openmc.Material()
+    m1.add_nuclide("U235", 0.2)
+    m1.add_nuclide("U238", 0.8)
+    m1.set_density('g/cm3', 10.5)
+    # decay heat in W/cc and W/g should not require volume setting
+    assert m1.get_decay_heat(units='W/cm3') == 0
+    assert m1.get_decay_heat(units='W/g') == 0
+    m1.volume = 1
+    assert m1.get_decay_heat(units='W') == 0
+
+    # Checks that 1g of tritium has the correct decay heat scaling
+    m2 = openmc.Material()
+    m2.add_nuclide("I135", 1)
+    m2.set_density('g/cm3', 1)
+    m2.volume = 1
+    assert pytest.approx(m2.get_decay_heat(units='W')) == 40175.15720273193
+    m2.set_density('g/cm3', 2)
+    assert pytest.approx(m2.get_decay_heat(units='W')) == 40175.15720273193*2
+    m2.volume = 3
+    assert pytest.approx(m2.get_decay_heat(units='W')) == 40175.15720273193*2*3
+
+    # Checks that 1 mol of a metastable nuclides has the correct decay heat
+    m3 = openmc.Material()
+    m3.add_nuclide("Xe135", 1)
+    m3.set_density('g/cm3', 1)
+    m3.volume = 98.9
+    assert pytest.approx(m3.get_decay_heat(units='W'), rel=0.001) == 846181.2921143445
+
+    # Checks that specific and volumetric decay heat of tritium are correct
+    m4 = openmc.Material()
+    m4.add_nuclide("I135", 1)
+    m4.set_density('g/cm3', 1.5)
+    assert pytest.approx(m4.get_decay_heat(units='W/g')) == 40175.15720273193 # [W/g]
+    assert pytest.approx(m4.get_decay_heat(units='W/g', by_nuclide=True)["I135"]) == 40175.15720273193 # [W/g]
+    assert pytest.approx(m4.get_decay_heat(units='W/cm3')) == 40175.15720273193*3/2 # [W/cc]
+    assert pytest.approx(m4.get_decay_heat(units='W/cm3', by_nuclide=True)["I135"]) == 40175.15720273193*3/2 #[W/cc]
+    # volume is required to calculate total decay heat
+    m4.volume = 10.
+    assert pytest.approx(m4.get_decay_heat(units='W')) == 40175.15720273193*3/2*10 # [W]
+ 
+
 def test_decay_photon_energy():
     # Set chain file for testing
     openmc.config['chain_file'] = Path(__file__).parents[1] / 'chain_simple.xml'

From f60f95feb4e49d4b46c6aa5ec63b7ed4ddeeec87 Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?R=C3=A9mi=20Delaporte-Mathurin?=
 <40028739+RemDelaporteMathurin@users.noreply.github.com>
Date: Fri, 18 Nov 2022 09:03:35 -0500
Subject: [PATCH 1284/2654] [skip ci] removed # TODOs

---
 openmc/mesh.py | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index b4cd04d51..79ab7fd5a 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -165,7 +165,7 @@ class StructuredMesh(MeshBase):
         pass
 
     @property
-    def vertices(self):  # TODO needs changing
+    def vertices(self):
         """Return coordinates of mesh vertices.
 
         Returns
@@ -178,7 +178,7 @@ class StructuredMesh(MeshBase):
         return np.stack(np.meshgrid(*self._grids, indexing='ij'), axis=-1)
 
     @property
-    def centroids(self):  # TODO needs changing
+    def centroids(self):
         """Return coordinates of mesh element centroids.
 
         Returns

From 54745f507641489bc82acbfb4303a728c7bf4fca Mon Sep 17 00:00:00 2001
From: Jose Ignacio Marquez Damian <22483345+marquezj@users.noreply.github.com>
Date: Fri, 18 Nov 2022 11:11:37 -0300
Subject: [PATCH 1285/2654] Changed example NCrystal cfg strings

---
 docs/source/usersguide/materials.rst | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/docs/source/usersguide/materials.rst b/docs/source/usersguide/materials.rst
index ab5a8c5af..1886a772b 100644
--- a/docs/source/usersguide/materials.rst
+++ b/docs/source/usersguide/materials.rst
@@ -114,13 +114,13 @@ that define the material, e.g:
 
 ::
    
-   mat = openmc.Material.from_ncrystal('Al_sg225.ncmat')
+   mat = openmc.Material.from_ncrystal('Al_sg225.ncmat;temp=300K')
 
 defines a material containing polycrystalline alumnium,
 
 ::
 
-   mat = openmc.Material.from_ncrystal(""""Ge_sg227.ncmat;dcutoff=0.5;mos=40arcsec;
+   mat = openmc.Material.from_ncrystal("""Ge_sg227.ncmat;dcutoff=0.5;mos=40arcsec;
                                            dir1=@crys_hkl:5,1,1@lab:0,0,1;
                                            dir2=@crys_hkl:0,-1,1@lab:0,1,0""")
 

From e4281408f674ce795f237d8b568396793b159206 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Fri, 18 Nov 2022 10:31:58 -0600
Subject: [PATCH 1286/2654] reset timers after writing statepoint file

---
 openmc/deplete/coupled_operator.py | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/openmc/deplete/coupled_operator.py b/openmc/deplete/coupled_operator.py
index a8c1fa156..669e98dda 100644
--- a/openmc/deplete/coupled_operator.py
+++ b/openmc/deplete/coupled_operator.py
@@ -460,7 +460,6 @@ class CoupledOperator(OpenMCOperator):
 
         # Run OpenMC
         openmc.lib.run()
-        openmc.lib.reset_timers()
 
         # Extract results
         rates = self._calculate_reaction_rates(source_rate)
@@ -529,6 +528,8 @@ class CoupledOperator(OpenMCOperator):
             "openmc_simulation_n{}.h5".format(step),
             write_source=False)
 
+        openmc.lib.reset_timers()
+
     def finalize(self):
         """Finalize a depletion simulation and release resources."""
         if self.cleanup_when_done:

From 91f939a391032db72220e4be715b888d0f8db287 Mon Sep 17 00:00:00 2001
From: Jose Ignacio Marquez Damian <marquezj@ess.eu>
Date: Fri, 18 Nov 2022 18:26:31 +0100
Subject: [PATCH 1287/2654] Add flag for NCrystal

---
 include/openmc/settings.h               | 2 ++
 openmc/lib/__init__.py                  | 3 +++
 src/settings.cpp                        | 7 +++++++
 tests/regression_tests/ncrystal/test.py | 7 +++++++
 4 files changed, 19 insertions(+)

diff --git a/include/openmc/settings.h b/include/openmc/settings.h
index 9bb447005..b01c75d45 100644
--- a/include/openmc/settings.h
+++ b/include/openmc/settings.h
@@ -20,6 +20,8 @@ namespace openmc {
 // Global variable declarations
 //==============================================================================
 
+extern "C" const bool NCRYSTAL_ENABLED;
+
 namespace settings {
 
 // Boolean flags
diff --git a/openmc/lib/__init__.py b/openmc/lib/__init__.py
index c14b0d9c2..55e2ec11b 100644
--- a/openmc/lib/__init__.py
+++ b/openmc/lib/__init__.py
@@ -42,6 +42,9 @@ else:
 def _dagmc_enabled():
     return c_bool.in_dll(_dll, "DAGMC_ENABLED").value
 
+def _ncrystal_enabled():
+    return c_bool.in_dll(_dll, "NCRYSTAL_ENABLED").value
+
 def _coord_levels():
     return c_int.in_dll(_dll, "n_coord_levels").value
 
diff --git a/src/settings.cpp b/src/settings.cpp
index 87c24eedd..be7228d68 100644
--- a/src/settings.cpp
+++ b/src/settings.cpp
@@ -36,6 +36,13 @@ namespace openmc {
 // Global variables
 //==============================================================================
 
+#ifdef NCRYSTAL
+const bool NCRYSTAL_ENABLED = true;
+#else
+const bool NCRYSTAL_ENABLED = false;
+#endif
+
+
 namespace settings {
 
 // Default values for boolean flags
diff --git a/tests/regression_tests/ncrystal/test.py b/tests/regression_tests/ncrystal/test.py
index 51a0f07b7..0a47d634d 100644
--- a/tests/regression_tests/ncrystal/test.py
+++ b/tests/regression_tests/ncrystal/test.py
@@ -1,7 +1,14 @@
 import numpy as np
 import openmc
+import openmc.lib
+import pytest
+
 from tests.testing_harness import PyAPITestHarness
 
+pytestmark = pytest.mark.skipif(
+    not openmc.lib._ncrystal_enabled(),
+    reason="NCrystal materials are not enabled.")
+
 def compute_angular_distribution(cfg, E0, N):
     """Return a openmc.model.Model() object for a monoenergetic pencil
      beam hitting a 1 mm sphere filled with the material defined by

From 5f8e64b463aa2e0509d2b9955dc7de6686d5497b Mon Sep 17 00:00:00 2001
From: Jose Ignacio Marquez Damian <22483345+marquezj@users.noreply.github.com>
Date: Fri, 18 Nov 2022 17:47:21 -0300
Subject: [PATCH 1288/2654] Add NCrystal vairables to ci.yml

---
 .github/workflows/ci.yml | 8 +++++++-
 1 file changed, 7 insertions(+), 1 deletion(-)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index e267c0d8e..321f18874 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -29,6 +29,7 @@ jobs:
         mpi: [n, y]
         omp: [n, y]
         dagmc: [n]
+        ncrystal: [n]
         libmesh: [n]
         event: [n]
         vectfit: [n]
@@ -47,6 +48,10 @@ jobs:
             python-version: '3.10'
             mpi: y
             omp: y
+          - ncrystal: y
+            python-version: '3.10'
+            mpi: n
+            omp: n
           - libmesh: y
             python-version: '3.10'
             mpi: y
@@ -64,7 +69,7 @@ jobs:
             omp: n
             mpi: y
     name: "Python ${{ matrix.python-version }} (omp=${{ matrix.omp }},
-      mpi=${{ matrix.mpi }}, dagmc=${{ matrix.dagmc }},
+      mpi=${{ matrix.mpi }}, dagmc=${{ matrix.dagmc }}, ncrystal=${{ matrix.ncrystal }},
       libmesh=${{ matrix.libmesh }}, event=${{ matrix.event }}
       vectfit=${{ matrix.vectfit }})"
 
@@ -73,6 +78,7 @@ jobs:
       PHDF5: ${{ matrix.mpi }}
       OMP: ${{ matrix.omp }}
       DAGMC: ${{ matrix.dagmc }}
+      NCRYSTAL: ${{ matrix.ncrystal }}
       EVENT: ${{ matrix.event }}
       VECTFIT: ${{ matrix.vectfit }}
       LIBMESH: ${{ matrix.libmesh }}

From 87ed26babee2c7b69c229529e146d335a90fd952 Mon Sep 17 00:00:00 2001
From: Jose Ignacio Marquez Damian <22483345+marquezj@users.noreply.github.com>
Date: Fri, 18 Nov 2022 17:48:19 -0300
Subject: [PATCH 1289/2654] Add option to install NCrystal

---
 tools/ci/gha-install.sh | 5 +++++
 1 file changed, 5 insertions(+)

diff --git a/tools/ci/gha-install.sh b/tools/ci/gha-install.sh
index aa40eb90b..e5390be1e 100755
--- a/tools/ci/gha-install.sh
+++ b/tools/ci/gha-install.sh
@@ -17,6 +17,11 @@ if [[ $DAGMC = 'y' ]]; then
     ./tools/ci/gha-install-dagmc.sh
 fi
 
+# Install NCrystal if needed
+if [[ $NCRYSTAL = 'y' ]]; then
+    ./tools/ci/gha-install-ncrystal.sh
+fi
+
 # Install vectfit for WMP generation if needed
 if [[ $VECTFIT = 'y' ]]; then
     ./tools/ci/gha-install-vectfit.sh

From 8cf9dbe320baf4ff98eb57979f6e249e69ee0424 Mon Sep 17 00:00:00 2001
From: Jose Ignacio Marquez Damian <marquezj@ess.eu>
Date: Fri, 18 Nov 2022 22:28:04 +0100
Subject: [PATCH 1290/2654] Fixed in NCrystal docs

---
 docs/source/methods/cross_sections.rst | 4 ++--
 docs/source/usersguide/materials.rst   | 4 ++--
 2 files changed, 4 insertions(+), 4 deletions(-)

diff --git a/docs/source/methods/cross_sections.rst b/docs/source/methods/cross_sections.rst
index c700b3f2d..64e4fac3d 100644
--- a/docs/source/methods/cross_sections.rst
+++ b/docs/source/methods/cross_sections.rst
@@ -190,8 +190,8 @@ and further extend the physics `using plugins`_. Thermal scattering kernels are
 the fly from dynamic and structural data, or loaded from :math:`S(\alpha,\beta)` tables converted
 from ENDF6 evaluations. These kernels are sampled in a direct way using a fast `rejection algorithm`_ 
 that does not require previous processing. A `large library` of materials is already included in
-the NCrystal distribution, and new materials can be easily defined from scratch in the `NCMAT format`
-or `combining existing files`.
+the NCrystal distribution, and new materials can be easily defined from scratch in the `NCMAT format`_
+or `combining existing files`_.
 
 The compositions of the materials defined in NCrystal are passed on to OpenMC all other reactions 
 except for thermal neutron scattering are handled by continuous energy ACE libraries.
diff --git a/docs/source/usersguide/materials.rst b/docs/source/usersguide/materials.rst
index 1886a772b..1eaae846c 100644
--- a/docs/source/usersguide/materials.rst
+++ b/docs/source/usersguide/materials.rst
@@ -127,8 +127,8 @@ defines a material containing polycrystalline alumnium,
 defines an oriented germanium single crystal with 40 arcsec mosaicity.
 
 NCrystal only handles low energy neutron interactions. Other interaction are
-provided by standard ACE files. NCrystal_ comes with a `predefined library
-https://github.com/mctools/ncrystal/wiki/Data-library`_ but more materials can
+provided by standard ACE files. NCrystal_ comes with a `predefined library 
+<https://github.com/mctools/ncrystal/wiki/Data-library>`_ but more materials can
 be added by creating NCMAT files or on-the-fly in the configuration string.
 
 .. warning:: Currently, NCrystal_ materials cannot be modified after created. 

From b9e8f1324e72dc4730185b5f1f350eea62ab6757 Mon Sep 17 00:00:00 2001
From: Jose Ignacio Marquez Damian <marquezj@ess.eu>
Date: Fri, 18 Nov 2022 22:40:46 +0100
Subject: [PATCH 1291/2654] Attempt to fix NCrystal installation script

---
 tools/ci/gha-install-ncrystal.sh | 4 ++++
 tools/ci/gha-install.py          | 8 ++++++--
 2 files changed, 10 insertions(+), 2 deletions(-)

diff --git a/tools/ci/gha-install-ncrystal.sh b/tools/ci/gha-install-ncrystal.sh
index c18087f23..5f577b8da 100755
--- a/tools/ci/gha-install-ncrystal.sh
+++ b/tools/ci/gha-install-ncrystal.sh
@@ -28,6 +28,7 @@ cmake \
     -DEMBED_DATA=ON \
     -DINSTALL_DATA=OFF \
     -DNO_DIRECT_PYMODINST=ON \
+    -DCMAKE_INSTALL_PREFIX="${INST_DIR}" \
     -DPython3_EXECUTABLE="$PYTHON"
 
 make -j${CPU_COUNT:-1}
@@ -60,3 +61,6 @@ liblocation = pathlib.Path('${TMPNCRYSTALLIBLOCATION}'.strip())
 EOF
 
 $PYTHON -m pip install ./ncrystal_pypkg/ -vv
+
+setup ${INST_DIR}/setup.sh
+
diff --git a/tools/ci/gha-install.py b/tools/ci/gha-install.py
index 4c69ba70b..f3a29273f 100644
--- a/tools/ci/gha-install.py
+++ b/tools/ci/gha-install.py
@@ -19,7 +19,7 @@ def which(program):
     return None
 
 
-def install(omp=False, mpi=False, phdf5=False, dagmc=False, libmesh=False):
+def install(omp=False, mpi=False, phdf5=False, dagmc=False, libmesh=False, ncrystal=False):
     # Create build directory and change to it
     shutil.rmtree('build', ignore_errors=True)
     os.mkdir('build')
@@ -54,6 +54,9 @@ def install(omp=False, mpi=False, phdf5=False, dagmc=False, libmesh=False):
         libmesh_path = os.environ.get('HOME') + '/LIBMESH'
         cmake_cmd.append('-DCMAKE_PREFIX_PATH=' + libmesh_path)
 
+    if ncrystal:
+        cmake_cmd.append('-DOPENMC_USE_NCRYSTAL=ON')
+
     # Build in coverage mode for coverage testing
     cmake_cmd.append('-DOPENMC_ENABLE_COVERAGE=on')
 
@@ -70,10 +73,11 @@ def main():
     mpi = (os.environ.get('MPI') == 'y')
     phdf5 = (os.environ.get('PHDF5') == 'y')
     dagmc = (os.environ.get('DAGMC') == 'y')
+    ncrystal = (os.environ.get('NCRYSTAL') == 'y')
     libmesh = (os.environ.get('LIBMESH') == 'y')
 
     # Build and install
-    install(omp, mpi, phdf5, dagmc, libmesh)
+    install(omp, mpi, phdf5, dagmc, libmesh, ncrystal)
 
 if __name__ == '__main__':
     main()

From d45c37b20619154db60c48d5a18a750152fbeb48 Mon Sep 17 00:00:00 2001
From: yardasol <yardasol@grinnell.edu>
Date: Fri, 18 Nov 2022 10:54:41 -0600
Subject: [PATCH 1292/2654] Add test for runtime attribute on depletion
 statepoints

---
 .../deplete_with_transport/test.py            | 22 +++++++++++++++++++
 1 file changed, 22 insertions(+)

diff --git a/tests/regression_tests/deplete_with_transport/test.py b/tests/regression_tests/deplete_with_transport/test.py
index 9b37e4351..977241644 100644
--- a/tests/regression_tests/deplete_with_transport/test.py
+++ b/tests/regression_tests/deplete_with_transport/test.py
@@ -122,8 +122,18 @@ def test_full(run_in_tmpdir, problem, multiproc):
     n_tallies = np.empty(N + 1, dtype=int)
 
     # Get statepoint files for all BOS points and EOL
+    runtimes = {}
     for n in range(N + 1):
         statepoint = openmc.StatePoint(f"openmc_simulation_n{n}.h5")
+        runtime = statepoint.runtime
+        if n == 0:
+            for measure, time in runtime.items():
+                runtimes.update({measure: np.array([time])})
+        else:
+            for measure, time in runtime.items():
+                current = runtimes[measure]
+                updated = np.append(current, time)
+                runtimes.update({measure: updated})
         k_n = statepoint.keff
         k_state[n] = [k_n.nominal_value, k_n.std_dev]
         n_tallies[n] = len(statepoint.tallies)
@@ -134,6 +144,18 @@ def test_full(run_in_tmpdir, problem, multiproc):
     # Check that no additional tallies are loaded from the files
     assert np.all(n_tallies == 0)
 
+    # Check that runtimes are qualitatively correct
+    assert runtimes['reading cross sections'][0] != 0
+    assert runtimes['total initialization'][0] != 0
+    assert np.all(runtimes['reading cross sections'][1:] == 0)
+    assert np.all(runtimes['total initialization'][1:] == 0)
+    assert np.all(runtimes['inactive batches'] == 0)
+    del runtimes['reading cross sections']
+    del runtimes['total initialization']
+    del runtimes['inactive batches']
+    for measure, times in runtimes.items():
+        assert np.all(times != 0)
+
 
 def test_depletion_results_to_material(run_in_tmpdir, problem):
     """Checks openmc.Materials objects can be created from depletion results"""

From 6442de68348eefe5f26ba9a0c74fd082067e95fd Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erik.knudsen@copenhagenatomics.com>
Date: Fri, 18 Nov 2022 23:26:24 +0100
Subject: [PATCH 1293/2654] remove unneccessary initialization

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 src/source.cpp | 1 -
 1 file changed, 1 deletion(-)

diff --git a/src/source.cpp b/src/source.cpp
index 1c46e4939..67a4a511d 100644
--- a/src/source.cpp
+++ b/src/source.cpp
@@ -381,7 +381,6 @@ FileSource::FileSource(mcpl_file_t mcpl_file)
     //mcpl stores time in ms
     site_.time=mcpl_particle->time*1e-3;
     site_.wgt=mcpl_particle->weight;
-    site_.delayed_group=0;
     sites_[i]=site_;
   }
   mcpl_close_file(mcpl_file);

From a299dcc56b4d79e73a996ed3c47baaa2729fd795 Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erik.knudsen@copenhagenatomics.com>
Date: Wed, 16 Nov 2022 14:02:01 +0100
Subject: [PATCH 1294/2654] add a documentation entry to surf_source_write

---
 docs/source/io_formats/settings.rst | 9 +++++++++
 1 file changed, 9 insertions(+)

diff --git a/docs/source/io_formats/settings.rst b/docs/source/io_formats/settings.rst
index 1a8f63716..285dfa229 100644
--- a/docs/source/io_formats/settings.rst
+++ b/docs/source/io_formats/settings.rst
@@ -767,6 +767,15 @@ certain surfaces and write out the source bank in a separate file called
 
     *Default*: None
 
+  :mcpl:
+    An optional boolean which indicates if the banked particle should
+    be written to a file in the MCPL-format (documented in mcpl_).
+    instead of the native hdf5-based format.
+
+    *Default*: false
+
+    .. _mcpl: https://mctools.github.io/mcpl/mcpl.pdf
+
 ------------------------------
 ``<survival_biasing>`` Element
 ------------------------------

From a40cc14d8ebb08da619b2d9fcaa9fc58adca1efa Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erik.knudsen@copenhagenatomics.com>
Date: Sat, 19 Nov 2022 00:33:04 +0100
Subject: [PATCH 1295/2654] check in the c++-layer if it's an mcpl-file

---
 src/settings.cpp | 9 +++++----
 1 file changed, 5 insertions(+), 4 deletions(-)

diff --git a/src/settings.cpp b/src/settings.cpp
index 9098eb620..0ca430de6 100644
--- a/src/settings.cpp
+++ b/src/settings.cpp
@@ -431,12 +431,13 @@ void read_settings_xml()
   for (pugi::xml_node node : root.children("source")) {
     if (check_for_node(node, "file")) {
       auto path = get_node_value(node, "file", false, true);
-      model::external_sources.push_back(make_unique<FileSource>(path));
 #ifdef OPENMC_MCPL
-    } else if (check_for_node(node, "mcpl")) {
-      auto path = get_node_value(node, "mcpl", false, true);
-      model::external_sources.push_back(make_unique<FileSource>(mcpl_open_file(path.c_str())));
+      if ( (path.size() >= 5 && path.compare(path.size()-5,5,".mcpl")==0 ) ||
+          (path.size() >= 8 && path.compare(path.size()-8,8,".mcpl.gz")==0 ) ) {
+        model::external_sources.push_back(make_unique<FileSource>(mcpl_open_file(path.c_str())));
+      } else
 #endif
+        model::external_sources.push_back(make_unique<FileSource>(path));
     } else if (check_for_node(node, "library")) {
       // Get shared library path and parameters
       auto path = get_node_value(node, "library", false, true);

From 8bfb1af81e874a6e9b55c59a12e816f071592ab0 Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erik.knudsen@copenhagenatomics.com>
Date: Sat, 19 Nov 2022 01:41:02 +0100
Subject: [PATCH 1296/2654] remove unneccessary in-code comments

---
 src/state_point.cpp | 3 ---
 1 file changed, 3 deletions(-)

diff --git a/src/state_point.cpp b/src/state_point.cpp
index d0fe92bdf..3ee5f13b3 100644
--- a/src/state_point.cpp
+++ b/src/state_point.cpp
@@ -621,10 +621,7 @@ void write_mcpl_source_point(const char *filename, bool surf_source_bank)
 
   std::string line;
   if (mpi::master) {
-    // this must be rewritten: file_open is h5-specific
     file_id = mcpl_create_outfile(filename_.c_str());
-    //write_attribute(file_id, "filetype", "source");
-    //write header stuff (oopy in xml-files as binary blobs for instance))
     if (VERSION_DEV){
       line=fmt::format("OpenMC {0}.{1}.{2}-development",VERSION_MAJOR,VERSION_MINOR,VERSION_RELEASE);
     } else {

From 727161f95ab8364a04499de060e25fcdc28d474a Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erik.knudsen@copenhagenatomics.com>
Date: Sat, 19 Nov 2022 01:44:47 +0100
Subject: [PATCH 1297/2654] remove some in-code comments

---
 src/source.cpp | 4 ----
 1 file changed, 4 deletions(-)

diff --git a/src/source.cpp b/src/source.cpp
index 1c46e4939..2e6335aad 100644
--- a/src/source.cpp
+++ b/src/source.cpp
@@ -332,8 +332,6 @@ FileSource::FileSource(std::string path)
 #ifdef OPENMC_MCPL
 FileSource::FileSource(mcpl_file_t mcpl_file)
 {
-  //do checks on the mcpl_file to see if particles are many enough.
-  // should model this on the example source shown in the docs.
   size_t n_sites=mcpl_hdr_nparticles(mcpl_file);
 
   sites_.resize(n_sites);
@@ -348,8 +346,6 @@ FileSource::FileSource(mcpl_file_t mcpl_file)
     while ( pdg!=2112 && pdg!=22 && pdg!=11 && pdg!=-11) {
       mcpl_particle=mcpl_read(mcpl_file);
       pdg=mcpl_particle->pdgcode;
-      //should check for file exhaustion. This could happen if particles are other than
-      //neutrons, photons, electrons, or positrons.
     }
 
     switch(pdg){

From ccbef891ef7d2585b21b7bd5dd0e76d872017210 Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erik.knudsen@copenhagenatomics.com>
Date: Sat, 19 Nov 2022 01:49:31 +0100
Subject: [PATCH 1298/2654] update to doc-string

---
 docs/source/io_formats/settings.rst | 5 +++--
 1 file changed, 3 insertions(+), 2 deletions(-)

diff --git a/docs/source/io_formats/settings.rst b/docs/source/io_formats/settings.rst
index 285dfa229..a162e8de6 100644
--- a/docs/source/io_formats/settings.rst
+++ b/docs/source/io_formats/settings.rst
@@ -768,9 +768,10 @@ certain surfaces and write out the source bank in a separate file called
     *Default*: None
 
   :mcpl:
-    An optional boolean which indicates if the banked particle should
+    An optional boolean which indicates if the banked particles should
     be written to a file in the MCPL-format (documented in mcpl_).
-    instead of the native hdf5-based format.
+    instead of the native hdf5-based format.If activated the output
+    output file name is altered to ``surface_source.mcpl``
 
     *Default*: false
 

From fab1ddac003648e7954ad85b8d4718e7685df0e4 Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erik.knudsen@copenhagenatomics.com>
Date: Sat, 19 Nov 2022 02:19:41 +0100
Subject: [PATCH 1299/2654] prefer native as default

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 src/settings.cpp | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/src/settings.cpp b/src/settings.cpp
index 9098eb620..91a13289c 100644
--- a/src/settings.cpp
+++ b/src/settings.cpp
@@ -60,7 +60,7 @@ bool run_CE {true};
 bool source_latest {false};
 bool source_separate {false};
 bool source_write {true};
-bool source_mcpl_write {true};
+bool source_mcpl_write {false};
 bool surf_source_write {false};
 bool surf_mcpl_write {false};
 bool surf_source_read {false};

From d7ab491f473e87f5865e365bd5f9fbcfcd24943e Mon Sep 17 00:00:00 2001
From: Jose Ignacio Marquez Damian <22483345+marquezj@users.noreply.github.com>
Date: Sat, 19 Nov 2022 08:57:00 +0100
Subject: [PATCH 1300/2654] Try fix of NCrystal install

---
 tools/ci/gha-install-ncrystal.sh | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/tools/ci/gha-install-ncrystal.sh b/tools/ci/gha-install-ncrystal.sh
index 5f577b8da..78a1a44f2 100755
--- a/tools/ci/gha-install-ncrystal.sh
+++ b/tools/ci/gha-install-ncrystal.sh
@@ -45,7 +45,7 @@ make install
 cat <<EOF > ./findncrystallib.py
 import pathlib
 libname = pathlib.Path('./cfg_ncrystal_libname.txt').read_text().strip()
-libs = list(pathlib.Path("/usr").glob("**/lib*/**/%s"%libname))
+libs = list(pathlib.Path("${INST_DIR}").glob("**/lib*/**/%s"%libname))
 assert len(libs)==1
 pathlib.Path('ncrystal_liblocation.txt').write_text(str(libs[0]))
 EOF

From b199db9cb9c6de05117c2749c21ce5ea3d474f7d Mon Sep 17 00:00:00 2001
From: Jose Ignacio Marquez Damian <22483345+marquezj@users.noreply.github.com>
Date: Sat, 19 Nov 2022 09:06:42 +0100
Subject: [PATCH 1301/2654] Update gha-install-ncrystal.sh

---
 tools/ci/gha-install-ncrystal.sh | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/tools/ci/gha-install-ncrystal.sh b/tools/ci/gha-install-ncrystal.sh
index 78a1a44f2..715e4da94 100755
--- a/tools/ci/gha-install-ncrystal.sh
+++ b/tools/ci/gha-install-ncrystal.sh
@@ -62,5 +62,5 @@ EOF
 
 $PYTHON -m pip install ./ncrystal_pypkg/ -vv
 
-setup ${INST_DIR}/setup.sh
+source ${INST_DIR}/setup.sh
 

From 39d0c5cd61224b2a80b8c6ee75597588e132842b Mon Sep 17 00:00:00 2001
From: Jose Ignacio Marquez Damian <22483345+marquezj@users.noreply.github.com>
Date: Sat, 19 Nov 2022 09:38:34 +0100
Subject: [PATCH 1302/2654] Try to initialize with setup.sh

---
 tools/ci/gha-install-ncrystal.sh | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/tools/ci/gha-install-ncrystal.sh b/tools/ci/gha-install-ncrystal.sh
index 715e4da94..8e75cc60a 100755
--- a/tools/ci/gha-install-ncrystal.sh
+++ b/tools/ci/gha-install-ncrystal.sh
@@ -24,7 +24,7 @@ cmake \
     -DMODIFY_RPATH=OFF \
     -DCMAKE_BUILD_TYPE=Release \
     -DBUILD_EXAMPLES=OFF \
-    -DINSTALL_SETUPSH=OFF \
+    -DINSTALL_SETUPSH=ON \
     -DEMBED_DATA=ON \
     -DINSTALL_DATA=OFF \
     -DNO_DIRECT_PYMODINST=ON \

From 9e1abb328429072d9349fd5c01ae6249c438d187 Mon Sep 17 00:00:00 2001
From: Jose Ignacio Marquez Damian <22483345+marquezj@users.noreply.github.com>
Date: Sat, 19 Nov 2022 10:47:26 +0100
Subject: [PATCH 1303/2654] Update gha-install-ncrystal.sh

---
 tools/ci/gha-install-ncrystal.sh | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/tools/ci/gha-install-ncrystal.sh b/tools/ci/gha-install-ncrystal.sh
index 8e75cc60a..c080c16d8 100755
--- a/tools/ci/gha-install-ncrystal.sh
+++ b/tools/ci/gha-install-ncrystal.sh
@@ -24,7 +24,7 @@ cmake \
     -DMODIFY_RPATH=OFF \
     -DCMAKE_BUILD_TYPE=Release \
     -DBUILD_EXAMPLES=OFF \
-    -DINSTALL_SETUPSH=ON \
+    -DINSTALL_SETUPSH=OFF \
     -DEMBED_DATA=ON \
     -DINSTALL_DATA=OFF \
     -DNO_DIRECT_PYMODINST=ON \
@@ -62,5 +62,5 @@ EOF
 
 $PYTHON -m pip install ./ncrystal_pypkg/ -vv
 
-source ${INST_DIR}/setup.sh
+# source ${INST_DIR}/setup.sh
 

From c9c74f08b2cae9c57f818c4a93abf986514fd809 Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erik.knudsen@copenhagenatomics.com>
Date: Mon, 21 Nov 2022 00:34:30 +0100
Subject: [PATCH 1304/2654] apply clang-format

---
 src/source.cpp | 78 +++++++++++++++++++++++++-------------------------
 1 file changed, 39 insertions(+), 39 deletions(-)

diff --git a/src/source.cpp b/src/source.cpp
index 2e6335aad..af108f3fa 100644
--- a/src/source.cpp
+++ b/src/source.cpp
@@ -234,7 +234,8 @@ SourceSite IndependentSource::sample(uint64_t* seed) const
             auto id = (domain_type_ == DomainType::CELL)
                         ? model::cells[coord.cell]->id_
                         : model::universes[coord.universe]->id_;
-            if (found = contains(domain_ids_, id)) break;
+            if (found = contains(domain_ids_, id))
+              break;
           }
         }
       }
@@ -332,57 +333,57 @@ FileSource::FileSource(std::string path)
 #ifdef OPENMC_MCPL
 FileSource::FileSource(mcpl_file_t mcpl_file)
 {
-  size_t n_sites=mcpl_hdr_nparticles(mcpl_file);
+  size_t n_sites = mcpl_hdr_nparticles(mcpl_file);
 
   sites_.resize(n_sites);
-  for (int i=0;i<n_sites;i++){
+  for (int i = 0; i < n_sites; i++) {
     SourceSite site_;
 
-    const mcpl_particle_t *mcpl_particle;
-    //extract particle from mcpl-file
-    mcpl_particle=mcpl_read(mcpl_file);
+    const mcpl_particle_t* mcpl_particle;
+    // extract particle from mcpl-file
+    mcpl_particle = mcpl_read(mcpl_file);
     // check if it is a neutron, photon, electron, or positron. Otherwise skip.
-    int pdg=mcpl_particle->pdgcode;
-    while ( pdg!=2112 && pdg!=22 && pdg!=11 && pdg!=-11) {
-      mcpl_particle=mcpl_read(mcpl_file);
-      pdg=mcpl_particle->pdgcode;
+    int pdg = mcpl_particle->pdgcode;
+    while (pdg != 2112 && pdg != 22 && pdg != 11 && pdg != -11) {
+      mcpl_particle = mcpl_read(mcpl_file);
+      pdg = mcpl_particle->pdgcode;
     }
 
-    switch(pdg){
-      case 2112:
-        site_.particle=ParticleType::neutron;
-        break;
-      case 22:
-        site_.particle=ParticleType::photon;
-        break;
-      case 11:
-        site_.particle=ParticleType::electron;
-        break;
-      case -11:
-        site_.particle=ParticleType::positron;
-        break;
+    switch (pdg) {
+    case 2112:
+      site_.particle = ParticleType::neutron;
+      break;
+    case 22:
+      site_.particle = ParticleType::photon;
+      break;
+    case 11:
+      site_.particle = ParticleType::electron;
+      break;
+    case -11:
+      site_.particle = ParticleType::positron;
+      break;
     }
 
-    //particle is good, convert to openmc-formalism
-    site_.r.x=mcpl_particle->position[0];
-    site_.r.y=mcpl_particle->position[1];
-    site_.r.z=mcpl_particle->position[2];
+    // particle is good, convert to openmc-formalism
+    site_.r.x = mcpl_particle->position[0];
+    site_.r.y = mcpl_particle->position[1];
+    site_.r.z = mcpl_particle->position[2];
 
-    site_.u.x=mcpl_particle->direction[0];
-    site_.u.y=mcpl_particle->direction[1];
-    site_.u.z=mcpl_particle->direction[2];
+    site_.u.x = mcpl_particle->direction[0];
+    site_.u.y = mcpl_particle->direction[1];
+    site_.u.z = mcpl_particle->direction[2];
 
-    //mcpl stores kinetic energy in MeV
-    site_.E=mcpl_particle->ekin*1e6;
-    //mcpl stores time in ms
-    site_.time=mcpl_particle->time*1e-3;
-    site_.wgt=mcpl_particle->weight;
-    site_.delayed_group=0;
-    sites_[i]=site_;
+    // mcpl stores kinetic energy in MeV
+    site_.E = mcpl_particle->ekin * 1e6;
+    // mcpl stores time in ms
+    site_.time = mcpl_particle->time * 1e-3;
+    site_.wgt = mcpl_particle->weight;
+    site_.delayed_group = 0;
+    sites_[i] = site_;
   }
   mcpl_close_file(mcpl_file);
 }
-#endif //OPENMC_MCPL
+#endif // OPENMC_MCPL
 
 SourceSite FileSource::sample(uint64_t* seed) const
 {
@@ -443,7 +444,6 @@ CustomSourceWrapper::~CustomSourceWrapper()
 #endif
 }
 
-
 //==============================================================================
 // Non-member functions
 //==============================================================================

From c5affa805e06ce46276dc1c148888b3540b1e29d Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?R=C3=A9mi=20Delaporte-Mathurin?=
 <40028739+RemDelaporteMathurin@users.noreply.github.com>
Date: Mon, 21 Nov 2022 09:37:57 -0500
Subject: [PATCH 1305/2654] Review suggestions

Co-authored-by: Patrick Shriwise <pshriwise@gmail.com>
---
 src/mesh.cpp | 4 +---
 1 file changed, 1 insertion(+), 3 deletions(-)

diff --git a/src/mesh.cpp b/src/mesh.cpp
index 57fe49ba6..3849f4d03 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -977,9 +977,7 @@ StructuredMesh::MeshIndex CylindricalMesh::get_indices(
   mapped_r[0] = std::hypot(r.x, r.y);
   mapped_r[2] = r[2];
 
-  mapped_r[0] += origin_[0];
-  mapped_r[1] += origin_[1];
-  mapped_r[2] += origin_[2];
+  mapped_r -= origin_;
 
   if (mapped_r[0] < FP_PRECISION) {
     mapped_r[1] = 0.0;

From 6d787d5fb0e2ed7790e83f2ea8d00560f60c292e Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?R=C3=A9mi=20Delaporte-Mathurin?=
 <40028739+RemDelaporteMathurin@users.noreply.github.com>
Date: Mon, 21 Nov 2022 09:39:01 -0500
Subject: [PATCH 1306/2654] Apply suggestions from code review

Co-authored-by: Patrick Shriwise <pshriwise@gmail.com>
---
 openmc/mesh.py                              | 6 +++---
 src/mesh.cpp                                | 4 +---
 tests/unit_tests/test_deplete_activation.py | 1 -
 3 files changed, 4 insertions(+), 7 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 79ab7fd5a..3936572f9 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -1322,7 +1322,7 @@ class CylindricalMesh(StructuredMesh):
         pts_cartesian[:, 1] = r * np.sin(phi)
 
         # offset with origin
-        if self.origin != [0.0, 0.0, 0.0]:
+        if any(self.origin != (0.0, 0.0, 0.0)):
             pts_cartesian[:, 0] = pts_cartesian[:, 0] + self.origin[0]
             pts_cartesian[:, 1] = pts_cartesian[:, 1] + self.origin[1]
             pts_cartesian[:, 2] = pts_cartesian[:, 2] + self.origin[2]
@@ -1375,7 +1375,7 @@ class SphericalMesh(StructuredMesh):
         self._r_grid = None
         self._theta_grid = [0, pi]
         self._phi_grid = [0, 2*pi]
-        self._origin = [0., 0., 0.]
+        self._origin = (0., 0., 0.)
 
     @property
     def dimension(self):
@@ -1577,7 +1577,7 @@ class SphericalMesh(StructuredMesh):
         pts_cartesian[:, 2] = r * np.cos(phi)
 
         # offset with origin
-        if self.origin != [0.0, 0.0, 0.0]:
+        if any(self.origin != (0.0, 0.0, 0.0)):
             pts_cartesian[:, 0] = pts_cartesian[:, 0] + self.origin[0]
             pts_cartesian[:, 1] = pts_cartesian[:, 1] + self.origin[1]
             pts_cartesian[:, 2] = pts_cartesian[:, 2] + self.origin[2]
diff --git a/src/mesh.cpp b/src/mesh.cpp
index 3849f4d03..82644db08 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -1213,9 +1213,7 @@ StructuredMesh::MeshIndex SphericalMesh::get_indices(
 
   mapped_r[0] = r.norm();
 
-  mapped_r[0] += origin_[0];
-  mapped_r[1] += origin_[1];
-  mapped_r[2] += origin_[2];
+  mapped_r -= origin_;
 
   if (mapped_r[0] < FP_PRECISION) {
     mapped_r[1] = 0.0;
diff --git a/tests/unit_tests/test_deplete_activation.py b/tests/unit_tests/test_deplete_activation.py
index 2dc911c86..64167c8af 100644
--- a/tests/unit_tests/test_deplete_activation.py
+++ b/tests/unit_tests/test_deplete_activation.py
@@ -53,7 +53,6 @@ def test_activation(run_in_tmpdir, model, reaction_rate_mode, reaction_rate_opts
     # Determine (n.gamma) reaction rate using initial run
     sp = model.run()
     with openmc.StatePoint(sp) as sp:
-        print(sp.tallies)
         tally = sp.get_tally(name='activation tally')
         capture_rate = tally.mean.flat[0]
 

From 8681751238a27d4b94a75c446903c035de6f72dd Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Mon, 21 Nov 2022 09:45:11 -0500
Subject: [PATCH 1307/2654] check length origin

---
 openmc/mesh.py | 2 ++
 1 file changed, 2 insertions(+)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 3936572f9..0eba6871b 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -1097,6 +1097,7 @@ class CylindricalMesh(StructuredMesh):
     @origin.setter
     def origin(self, coords):
         cv.check_type('mesh origin', coords, Iterable, Real)
+        cv.check_length("mesh origin", coords, 3)
         self._origin = np.asarray(coords)
 
     @r_grid.setter
@@ -1420,6 +1421,7 @@ class SphericalMesh(StructuredMesh):
     @origin.setter
     def origin(self, coords):
         cv.check_type('mesh origin', coords, Iterable, Real)
+        cv.check_length("mesh origin", coords, 3)
         self._origin = np.asarray(coords)
 
     @r_grid.setter

From df1a45b65407f0dc67e286600aac58d1b8744682 Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Mon, 21 Nov 2022 09:46:13 -0500
Subject: [PATCH 1308/2654] origin from_hdf5

---
 openmc/mesh.py | 2 ++
 1 file changed, 2 insertions(+)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 0eba6871b..64217fa77 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -1145,6 +1145,7 @@ class CylindricalMesh(StructuredMesh):
         mesh.r_grid = group['r_grid'][()]
         mesh.phi_grid = group['phi_grid'][()]
         mesh.z_grid = group['z_grid'][()]
+        mesh.origin = group['origin'][()]
 
         return mesh
 
@@ -1469,6 +1470,7 @@ class SphericalMesh(StructuredMesh):
         mesh.r_grid = group['r_grid'][()]
         mesh.theta_grid = group['theta_grid'][()]
         mesh.phi_grid = group['phi_grid'][()]
+        mesh.origin = group['origin'][()]
 
         return mesh
 

From b63ec9cdc3ee988afe1051126cdba2b7d83ff629 Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Mon, 21 Nov 2022 09:48:42 -0500
Subject: [PATCH 1309/2654] read mesh optional

---
 openmc/mesh.py | 12 ++++++++----
 1 file changed, 8 insertions(+), 4 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 64217fa77..0d92208aa 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -1145,7 +1145,8 @@ class CylindricalMesh(StructuredMesh):
         mesh.r_grid = group['r_grid'][()]
         mesh.phi_grid = group['phi_grid'][()]
         mesh.z_grid = group['z_grid'][()]
-        mesh.origin = group['origin'][()]
+        if 'origin' in group:
+            mesh.origin = group['origin'][()]
 
         return mesh
 
@@ -1268,7 +1269,8 @@ class CylindricalMesh(StructuredMesh):
         mesh.r_grid = [float(x) for x in get_text(elem, "r_grid").split()]
         mesh.phi_grid = [float(x) for x in get_text(elem, "phi_grid").split()]
         mesh.z_grid = [float(x) for x in get_text(elem, "z_grid").split()]
-        mesh.origin = [float(x) for x in get_text(elem, "origin").split()]
+        if "origin" in elem.attrib:
+            mesh.origin = [float(x) for x in get_text(elem, "origin").split()]
 
         return mesh
 
@@ -1470,7 +1472,8 @@ class SphericalMesh(StructuredMesh):
         mesh.r_grid = group['r_grid'][()]
         mesh.theta_grid = group['theta_grid'][()]
         mesh.phi_grid = group['phi_grid'][()]
-        mesh.origin = group['origin'][()]
+        if 'origin' in group:
+            mesh.origin = group['origin'][()]
 
         return mesh
 
@@ -1523,7 +1526,8 @@ class SphericalMesh(StructuredMesh):
         mesh.r_grid = [float(x) for x in get_text(elem, "r_grid").split()]
         mesh.theta_grid = [float(x) for x in get_text(elem, "theta_grid").split()]
         mesh.phi_grid = [float(x) for x in get_text(elem, "phi_grid").split()]
-        mesh.origin = [float(x) for x in get_text(elem, "origin").split()]
+        if "origin" in elem.attrib:
+            mesh.origin = [float(x) for x in get_text(elem, "origin").split()]
 
         return mesh
 

From f51f18176135926ea1c4be5f2287c95a8741c8fd Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Mon, 21 Nov 2022 11:53:49 -0500
Subject: [PATCH 1310/2654] fixed optional xml reading

---
 openmc/mesh.py | 6 ++----
 1 file changed, 2 insertions(+), 4 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 0d92208aa..31b7789ee 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -1269,8 +1269,7 @@ class CylindricalMesh(StructuredMesh):
         mesh.r_grid = [float(x) for x in get_text(elem, "r_grid").split()]
         mesh.phi_grid = [float(x) for x in get_text(elem, "phi_grid").split()]
         mesh.z_grid = [float(x) for x in get_text(elem, "z_grid").split()]
-        if "origin" in elem.attrib:
-            mesh.origin = [float(x) for x in get_text(elem, "origin").split()]
+        mesh.origin = [float(x) for x in get_text(elem, "origin", default=[0., 0., 0.]).split()]
 
         return mesh
 
@@ -1526,8 +1525,7 @@ class SphericalMesh(StructuredMesh):
         mesh.r_grid = [float(x) for x in get_text(elem, "r_grid").split()]
         mesh.theta_grid = [float(x) for x in get_text(elem, "theta_grid").split()]
         mesh.phi_grid = [float(x) for x in get_text(elem, "phi_grid").split()]
-        if "origin" in elem.attrib:
-            mesh.origin = [float(x) for x in get_text(elem, "origin").split()]
+        mesh.origin = [float(x) for x in get_text(elem, "origin", default=[0., 0., 0.]).split()]
 
         return mesh
 

From 3325667c51538748e2078261fb9457c769b11e3e Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Mon, 21 Nov 2022 12:22:39 -0500
Subject: [PATCH 1311/2654] minor version bump for statepoint files

---
 include/openmc/constants.h | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/include/openmc/constants.h b/include/openmc/constants.h
index fa2251b84..a97180faf 100644
--- a/include/openmc/constants.h
+++ b/include/openmc/constants.h
@@ -24,7 +24,7 @@ using double_4dvec = vector<vector<vector<vector<double>>>>;
 constexpr int HDF5_VERSION[] {3, 0};
 
 // Version numbers for binary files
-constexpr array<int, 2> VERSION_STATEPOINT {18, 0};
+constexpr array<int, 2> VERSION_STATEPOINT {18, 1};
 constexpr array<int, 2> VERSION_PARTICLE_RESTART {2, 0};
 constexpr array<int, 2> VERSION_TRACK {3, 0};
 constexpr array<int, 2> VERSION_SUMMARY {6, 0};

From 10a95186e391517ff0f5d1f7487d6aa4c4cd8d93 Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Mon, 21 Nov 2022 14:07:45 -0500
Subject: [PATCH 1312/2654] origin is tuple + fixed any

---
 openmc/mesh.py | 6 +++---
 1 file changed, 3 insertions(+), 3 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 31b7789ee..615514c68 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -1052,7 +1052,7 @@ class CylindricalMesh(StructuredMesh):
         self._r_grid = None
         self._phi_grid = [0.0, 2*pi]
         self._z_grid = None
-        self._origin = [0., 0., 0.]
+        self._origin = (0., 0., 0.)
 
     @property
     def dimension(self):
@@ -1325,7 +1325,7 @@ class CylindricalMesh(StructuredMesh):
         pts_cartesian[:, 1] = r * np.sin(phi)
 
         # offset with origin
-        if any(self.origin != (0.0, 0.0, 0.0)):
+        if any([coord != 0 for coord in self.origin]):
             pts_cartesian[:, 0] = pts_cartesian[:, 0] + self.origin[0]
             pts_cartesian[:, 1] = pts_cartesian[:, 1] + self.origin[1]
             pts_cartesian[:, 2] = pts_cartesian[:, 2] + self.origin[2]
@@ -1583,7 +1583,7 @@ class SphericalMesh(StructuredMesh):
         pts_cartesian[:, 2] = r * np.cos(phi)
 
         # offset with origin
-        if any(self.origin != (0.0, 0.0, 0.0)):
+        if any([coord != 0 for coord in self.origin]):
             pts_cartesian[:, 0] = pts_cartesian[:, 0] + self.origin[0]
             pts_cartesian[:, 1] = pts_cartesian[:, 1] + self.origin[1]
             pts_cartesian[:, 2] = pts_cartesian[:, 2] + self.origin[2]

From f0721ac5351eec9425ecf4e33a90b5ac13eba1cc Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?R=C3=A9mi=20Delaporte-Mathurin?=
 <40028739+RemDelaporteMathurin@users.noreply.github.com>
Date: Mon, 21 Nov 2022 14:30:36 -0500
Subject: [PATCH 1313/2654] Apply suggestions from code review

Co-authored-by: Patrick Shriwise <pshriwise@gmail.com>
---
 openmc/mesh.py | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 615514c68..307d9d952 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -1052,7 +1052,7 @@ class CylindricalMesh(StructuredMesh):
         self._r_grid = None
         self._phi_grid = [0.0, 2*pi]
         self._z_grid = None
-        self._origin = (0., 0., 0.)
+        self.origin = (0., 0., 0.)
 
     @property
     def dimension(self):
@@ -1378,7 +1378,7 @@ class SphericalMesh(StructuredMesh):
         self._r_grid = None
         self._theta_grid = [0, pi]
         self._phi_grid = [0, 2*pi]
-        self._origin = (0., 0., 0.)
+        self.origin = (0., 0., 0.)
 
     @property
     def dimension(self):

From 5dc65503121f4131c4ad9ebd7c9ed4c53cfb7f79 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Mon, 21 Nov 2022 14:51:40 -0600
Subject: [PATCH 1314/2654] Rename divide_by_adens --> divide_by_atoms

---
 openmc/deplete/abc.py             | 4 ++--
 openmc/deplete/openmc_operator.py | 6 +++---
 2 files changed, 5 insertions(+), 5 deletions(-)

diff --git a/openmc/deplete/abc.py b/openmc/deplete/abc.py
index 45432218a..279082c30 100644
--- a/openmc/deplete/abc.py
+++ b/openmc/deplete/abc.py
@@ -265,8 +265,8 @@ class ReactionRateHelper(ABC):
             Ordering of reactions
         """
 
-    def divide_by_adens(self, number):
-        """Normalize reaction rates by number of nuclides
+    def divide_by_atoms(self, number):
+        """Normalize reaction rates by number of atoms
 
         Acts on the current material examined by :meth:`get_material_rates`
 
diff --git a/openmc/deplete/openmc_operator.py b/openmc/deplete/openmc_operator.py
index fd9e66524..9678c509e 100644
--- a/openmc/deplete/openmc_operator.py
+++ b/openmc/deplete/openmc_operator.py
@@ -541,10 +541,10 @@ class OpenMCOperator(TransportOperator):
                 self._normalization_helper.update(
                     tally_rates[:, fission_ind])
 
-            # Divide by total number and store
-            rates[i] = self._rate_helper.divide_by_adens(number)
+            # Divide by total number of atoms and store
+            rates[i] = self._rate_helper.divide_by_atoms(number)
 
-        # Scale reaction rates to obtain units of reactions/sec
+        # Scale reaction rates to obtain units of reactions/sec/atom
         rates *= self._normalization_helper.factor(source_rate)
 
         # Store new fission yields on the chain

From ea0892f0f3e53169a8ea80e424a5002c3d643935 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Mon, 21 Nov 2022 15:20:12 -0600
Subject: [PATCH 1315/2654] Updated docstring to better explain chain_file and
 micro_xs

---
 openmc/deplete/independent_operator.py | 16 ++++++++++++----
 1 file changed, 12 insertions(+), 4 deletions(-)

diff --git a/openmc/deplete/independent_operator.py b/openmc/deplete/independent_operator.py
index a8249a98e..d11730240 100644
--- a/openmc/deplete/independent_operator.py
+++ b/openmc/deplete/independent_operator.py
@@ -31,6 +31,9 @@ class IndependentOperator(OpenMCOperator):
     passed to an integrator class, such as
     :class:`openmc.deplete.CECMIntegrator`.
 
+    Note that passing an empty :class:`~openmc.deplete.MicroXS` instance to the
+    ``micro_xs`` argument allows a decay-only calculation to be run.
+
     .. versionadded:: 0.13.1
 
     Parameters
@@ -38,9 +41,11 @@ class IndependentOperator(OpenMCOperator):
     materials : openmc.Materials
         Materials to deplete.
     micro_xs : MicroXS
-        One-group microscopic cross sections in [b] .
+        One-group microscopic cross sections in [b]. If the
+        :class:`~openmc.deplete.MicroXS` is empty, a decay-only calculation will
+        be run.
     chain_file : str
-        Path to the depletion chain XML file.  Defaults to
+        Path to the depletion chain XML file. Defaults to
         ``openmc.config['chain_file']``.
     keff : 2-tuple of float, optional
        keff eigenvalue and uncertainty from transport calculation.
@@ -169,9 +174,12 @@ class IndependentOperator(OpenMCOperator):
             Dictionary with nuclide names as keys and nuclide concentrations as
             values.
         micro_xs : MicroXS
-            One-group microscopic cross sections.
+            One-group microscopic cross sections in [b]. If the
+            :class:`~openmc.deplete.MicroXS` is empty, a decay-only calculation
+            will be run.
         chain_file : str, optional
-            Path to the depletion chain XML file.
+            Path to the depletion chain XML file. Defaults to
+            ``openmc.config['chain_file']``.
         nuc_units : {'atom/cm3', 'atom/b-cm'}, optional
             Units for nuclide concentration.
         keff : 2-tuple of float, optional

From 102288f94a99f4fd702ab43e9f2999b688c0f803 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Mon, 21 Nov 2022 15:36:34 -0600
Subject: [PATCH 1316/2654] Apply @yardasol suggestions from code review

Co-authored-by: Olek <45364492+yardasol@users.noreply.github.com>
---
 openmc/deplete/independent_operator.py | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/openmc/deplete/independent_operator.py b/openmc/deplete/independent_operator.py
index d11730240..0c950b31b 100644
--- a/openmc/deplete/independent_operator.py
+++ b/openmc/deplete/independent_operator.py
@@ -42,7 +42,7 @@ class IndependentOperator(OpenMCOperator):
         Materials to deplete.
     micro_xs : MicroXS
         One-group microscopic cross sections in [b]. If the
-        :class:`~openmc.deplete.MicroXS` is empty, a decay-only calculation will
+        :class:`~openmc.deplete.MicroXS` object is empty, a decay-only calculation will
         be run.
     chain_file : str
         Path to the depletion chain XML file. Defaults to
@@ -175,7 +175,7 @@ class IndependentOperator(OpenMCOperator):
             values.
         micro_xs : MicroXS
             One-group microscopic cross sections in [b]. If the
-            :class:`~openmc.deplete.MicroXS` is empty, a decay-only calculation
+            :class:`~openmc.deplete.MicroXS` object is empty, a decay-only calculation
             will be run.
         chain_file : str, optional
             Path to the depletion chain XML file. Defaults to

From a08072e45092ff96a13ba496ce192bade5764666 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Mon, 21 Nov 2022 15:57:23 -0600
Subject: [PATCH 1317/2654] Update comment in openmc_operator.py per @yardasol
 suggestion

Co-authored-by: Olek <45364492+yardasol@users.noreply.github.com>
---
 openmc/deplete/openmc_operator.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/deplete/openmc_operator.py b/openmc/deplete/openmc_operator.py
index 9678c509e..b00d83127 100644
--- a/openmc/deplete/openmc_operator.py
+++ b/openmc/deplete/openmc_operator.py
@@ -544,7 +544,7 @@ class OpenMCOperator(TransportOperator):
             # Divide by total number of atoms and store
             rates[i] = self._rate_helper.divide_by_atoms(number)
 
-        # Scale reaction rates to obtain units of reactions/sec/atom
+        # Scale reaction rates to obtain units of (reactions/sec)/atom
         rates *= self._normalization_helper.factor(source_rate)
 
         # Store new fission yields on the chain

From 8163d7a759d4212d1e8ca76471ce0a8f887a6c90 Mon Sep 17 00:00:00 2001
From: Olek <45364492+yardasol@users.noreply.github.com>
Date: Mon, 21 Nov 2022 15:33:54 -0600
Subject: [PATCH 1318/2654] use defaultdict

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 .../deplete_with_transport/test.py              | 17 +++++++----------
 1 file changed, 7 insertions(+), 10 deletions(-)

diff --git a/tests/regression_tests/deplete_with_transport/test.py b/tests/regression_tests/deplete_with_transport/test.py
index 977241644..477959d1c 100644
--- a/tests/regression_tests/deplete_with_transport/test.py
+++ b/tests/regression_tests/deplete_with_transport/test.py
@@ -3,6 +3,7 @@
 from math import floor
 import shutil
 from pathlib import Path
+from collections import defaultdict
 
 from difflib import unified_diff
 import numpy as np
@@ -122,18 +123,11 @@ def test_full(run_in_tmpdir, problem, multiproc):
     n_tallies = np.empty(N + 1, dtype=int)
 
     # Get statepoint files for all BOS points and EOL
-    runtimes = {}
+    runtimes = defaultdict(list)
     for n in range(N + 1):
         statepoint = openmc.StatePoint(f"openmc_simulation_n{n}.h5")
-        runtime = statepoint.runtime
-        if n == 0:
-            for measure, time in runtime.items():
-                runtimes.update({measure: np.array([time])})
-        else:
-            for measure, time in runtime.items():
-                current = runtimes[measure]
-                updated = np.append(current, time)
-                runtimes.update({measure: updated})
+        for measure, time in statepoint.runtime.items():
+            runtimes[measure].append(time)
         k_n = statepoint.keff
         k_state[n] = [k_n.nominal_value, k_n.std_dev]
         n_tallies[n] = len(statepoint.tallies)
@@ -144,6 +138,9 @@ def test_full(run_in_tmpdir, problem, multiproc):
     # Check that no additional tallies are loaded from the files
     assert np.all(n_tallies == 0)
 
+    # Convert values in runtimes to arrays
+    runtimes = {k: np.array(v) for k, v in runtimes.items()}
+
     # Check that runtimes are qualitatively correct
     assert runtimes['reading cross sections'][0] != 0
     assert runtimes['total initialization'][0] != 0

From 5a716f1f3ad41cdaabe1dc1221404befa4cdad59 Mon Sep 17 00:00:00 2001
From: Ethan Peterson <ethan.peterson@mit.edu>
Date: Fri, 18 Nov 2022 11:56:27 -0500
Subject: [PATCH 1319/2654] moved coordinate axis to 0

---
 openmc/mesh.py | 11 ++++++-----
 1 file changed, 6 insertions(+), 5 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 72b021066..d180bc7bd 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -172,10 +172,10 @@ class StructuredMesh(MeshBase):
         -------
         vertices : numpy.ndarray
             Returns a numpy.ndarray representing the coordinates of the mesh
-            vertices with a shape equal to (dim1 + 1, ..., dimn + 1, ndim).
+            vertices with a shape equal to (ndim, dim1 + 1, ..., dimn + 1).
 
         """
-        return np.stack(np.meshgrid(*self._grids, indexing='ij'), axis=-1)
+        return np.stack(np.meshgrid(*self._grids, indexing='ij'), axis=0)
 
     @property
     def centroids(self):
@@ -185,13 +185,14 @@ class StructuredMesh(MeshBase):
         -------
         centroids : numpy.ndarray
             Returns a numpy.ndarray representing the mesh element centroid
-            coordinates with a shape equal to (dim1, ..., dimn, ndim).
+            coordinates with a shape equal to (ndim, dim1, ..., dimn). Can be
+            unpacked by the first dimension with xx, yy, zz = mesh.centroids
 
         """
         ndim = self.n_dimension
         vertices = self.vertices
-        s0 = (slice(0, -1),)*ndim + (slice(None),)
-        s1 = (slice(1, None),)*ndim + (slice(None),)
+        s0 = (slice(None),) + (slice(0, -1),)*ndim
+        s1 = (slice(None),) + (slice(1, None),)*ndim
         return (vertices[s0] + vertices[s1]) / 2
 
     @property

From 3794673c704b18756ed28c836d7bab4be24c4f35 Mon Sep 17 00:00:00 2001
From: Ethan Peterson <ethan.peterson@mit.edu>
Date: Sun, 27 Nov 2022 15:54:03 -0500
Subject: [PATCH 1320/2654] Apply suggestions from code review

Co-authored-by: Patrick Shriwise <pshriwise@gmail.com>
---
 openmc/mesh.py | 6 ++++--
 1 file changed, 4 insertions(+), 2 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index d180bc7bd..157e78263 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -172,7 +172,8 @@ class StructuredMesh(MeshBase):
         -------
         vertices : numpy.ndarray
             Returns a numpy.ndarray representing the coordinates of the mesh
-            vertices with a shape equal to (ndim, dim1 + 1, ..., dimn + 1).
+            vertices with a shape equal to (ndim, dim1 + 1, ..., dimn + 1).  Can be
+            unpacked along the first dimension with xx, yy, zz = mesh.vertices.
 
         """
         return np.stack(np.meshgrid(*self._grids, indexing='ij'), axis=0)
@@ -186,7 +187,8 @@ class StructuredMesh(MeshBase):
         centroids : numpy.ndarray
             Returns a numpy.ndarray representing the mesh element centroid
             coordinates with a shape equal to (ndim, dim1, ..., dimn). Can be
-            unpacked by the first dimension with xx, yy, zz = mesh.centroids
+            unpacked along the first dimension with xx, yy, zz = mesh.centroids.
+            
 
         """
         ndim = self.n_dimension

From 3e6bb9d5f669d2729fa96acdb4894ed1d338f2c5 Mon Sep 17 00:00:00 2001
From: Jose Ignacio Marquez Damian <22483345+marquezj@users.noreply.github.com>
Date: Mon, 28 Nov 2022 08:51:23 -0300
Subject: [PATCH 1321/2654] Upgrade installation script to NCrystal 3.5.0

---
 tools/ci/gha-install-ncrystal.sh | 13 ++++++-------
 1 file changed, 6 insertions(+), 7 deletions(-)

diff --git a/tools/ci/gha-install-ncrystal.sh b/tools/ci/gha-install-ncrystal.sh
index c080c16d8..18472dfa6 100755
--- a/tools/ci/gha-install-ncrystal.sh
+++ b/tools/ci/gha-install-ncrystal.sh
@@ -21,13 +21,12 @@ cmake \
     "${SRC_DIR}" \
     -DBUILD_SHARED_LIBS=ON \
     -DNCRYSTAL_NOTOUCH_CMAKE_BUILD_TYPE=ON \
-    -DMODIFY_RPATH=OFF \
+    -DNCRYSTAL_MODIFY_RPATH=OFF \
     -DCMAKE_BUILD_TYPE=Release \
-    -DBUILD_EXAMPLES=OFF \
-    -DINSTALL_SETUPSH=OFF \
-    -DEMBED_DATA=ON \
-    -DINSTALL_DATA=OFF \
-    -DNO_DIRECT_PYMODINST=ON \
+    -DNCRYSTAL_ENABLE_EXAMPLES=OFF \
+    -DNCRYSTAL_ENABLE_SETUPSH=OFF \
+    -DNCRYSTAL_ENABLE_DATA=OFF \
+    -DNCRYSTAL_SKIP_PYMODINST=ON \
     -DCMAKE_INSTALL_PREFIX="${INST_DIR}" \
     -DPython3_EXECUTABLE="$PYTHON"
 
@@ -62,5 +61,5 @@ EOF
 
 $PYTHON -m pip install ./ncrystal_pypkg/ -vv
 
-# source ${INST_DIR}/setup.sh
+eval $( "${INST_DIR}/bin/ncrystal-config --setup" )
 

From be330a11b6798850ddaa54635167c89030bfb511 Mon Sep 17 00:00:00 2001
From: Jose Ignacio Marquez Damian <22483345+marquezj@users.noreply.github.com>
Date: Mon, 28 Nov 2022 09:15:45 -0300
Subject: [PATCH 1322/2654] Update gha-install-ncrystal.sh

---
 tools/ci/gha-install-ncrystal.sh | 31 ++++---------------------------
 1 file changed, 4 insertions(+), 27 deletions(-)

diff --git a/tools/ci/gha-install-ncrystal.sh b/tools/ci/gha-install-ncrystal.sh
index 18472dfa6..1bcc89627 100755
--- a/tools/ci/gha-install-ncrystal.sh
+++ b/tools/ci/gha-install-ncrystal.sh
@@ -25,8 +25,7 @@ cmake \
     -DCMAKE_BUILD_TYPE=Release \
     -DNCRYSTAL_ENABLE_EXAMPLES=OFF \
     -DNCRYSTAL_ENABLE_SETUPSH=OFF \
-    -DNCRYSTAL_ENABLE_DATA=OFF \
-    -DNCRYSTAL_SKIP_PYMODINST=ON \
+    -DNCRYSTAL_ENABLE_DATA=EMBED \
     -DCMAKE_INSTALL_PREFIX="${INST_DIR}" \
     -DPython3_EXECUTABLE="$PYTHON"
 
@@ -36,30 +35,8 @@ make install
 #Note: There is no "make test" or "make ctest" functionality for NCrystal
 #      yet. If it appears in the future, we should add it here.
 
-
-#The next stuff is not pretty, but it is needed as a temporary
-#workaround until NCrystal add better support for system-wide
-#installations in CMake:
-
-cat <<EOF > ./findncrystallib.py
-import pathlib
-libname = pathlib.Path('./cfg_ncrystal_libname.txt').read_text().strip()
-libs = list(pathlib.Path("${INST_DIR}").glob("**/lib*/**/%s"%libname))
-assert len(libs)==1
-pathlib.Path('ncrystal_liblocation.txt').write_text(str(libs[0]))
-EOF
-
-python3 ./findncrystallib.py
-
-TMPNCRYSTALLIBLOCATION=$(cat ./ncrystal_liblocation.txt)
-
-cat <<EOF > ./ncrystal_pypkg/NCrystal/_nclibpath.py
-#File autogenerated for working with systemwide install of NCrystal:
-import pathlib
-liblocation = pathlib.Path('${TMPNCRYSTALLIBLOCATION}'.strip())
-EOF
-
-$PYTHON -m pip install ./ncrystal_pypkg/ -vv
-
 eval $( "${INST_DIR}/bin/ncrystal-config --setup" )
 
+# Check installation worked
+
+ncrystal-config --setup

From fff545ac79d39b6aad0ee4dd055ac1da38cc344a Mon Sep 17 00:00:00 2001
From: Jose Ignacio Marquez Damian <22483345+marquezj@users.noreply.github.com>
Date: Mon, 28 Nov 2022 09:27:12 -0300
Subject: [PATCH 1323/2654] Update gha-install-ncrystal.sh

---
 tools/ci/gha-install-ncrystal.sh | 10 ++++++++--
 1 file changed, 8 insertions(+), 2 deletions(-)

diff --git a/tools/ci/gha-install-ncrystal.sh b/tools/ci/gha-install-ncrystal.sh
index 1bcc89627..390b7dba5 100755
--- a/tools/ci/gha-install-ncrystal.sh
+++ b/tools/ci/gha-install-ncrystal.sh
@@ -35,8 +35,14 @@ make install
 #Note: There is no "make test" or "make ctest" functionality for NCrystal
 #      yet. If it appears in the future, we should add it here.
 
-eval $( "${INST_DIR}/bin/ncrystal-config --setup" )
+# Output the configuration to the log
+
+"${INST_DIR}/bin/ncrystal-config" --setup
+
+# Change environmental variables
+
+eval $( "${INST_DIR}/bin/ncrystal-config" --setup )
 
 # Check installation worked
 
-ncrystal-config --setup
+nctool --test

From 8598ff7e4311c80c3dc7993a34eb6fc40976d7ed Mon Sep 17 00:00:00 2001
From: Jose Ignacio Marquez Damian <22483345+marquezj@users.noreply.github.com>
Date: Mon, 28 Nov 2022 09:45:27 -0300
Subject: [PATCH 1324/2654] Pass CMAKE_PREFIX_PATH from NCrystall installation

---
 tools/ci/gha-install.py | 2 ++
 1 file changed, 2 insertions(+)

diff --git a/tools/ci/gha-install.py b/tools/ci/gha-install.py
index f3a29273f..95fe70abe 100644
--- a/tools/ci/gha-install.py
+++ b/tools/ci/gha-install.py
@@ -56,6 +56,8 @@ def install(omp=False, mpi=False, phdf5=False, dagmc=False, libmesh=False, ncrys
 
     if ncrystal:
         cmake_cmd.append('-DOPENMC_USE_NCRYSTAL=ON')
+        ncrystal_path = os.environ.get('CMAKE_PREFIX_PATH')
+        cmake_cmd.append('-DCMAKE_PREFIX_PATH=' + ncrystal_path)
 
     # Build in coverage mode for coverage testing
     cmake_cmd.append('-DOPENMC_ENABLE_COVERAGE=on')

From c98a12171010e00fb78572c72f7327b0de740718 Mon Sep 17 00:00:00 2001
From: Jose Ignacio Marquez Damian <22483345+marquezj@users.noreply.github.com>
Date: Mon, 28 Nov 2022 09:56:10 -0300
Subject: [PATCH 1325/2654] Update gha-install.py

---
 tools/ci/gha-install.py | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/tools/ci/gha-install.py b/tools/ci/gha-install.py
index 95fe70abe..f5779c935 100644
--- a/tools/ci/gha-install.py
+++ b/tools/ci/gha-install.py
@@ -56,8 +56,8 @@ def install(omp=False, mpi=False, phdf5=False, dagmc=False, libmesh=False, ncrys
 
     if ncrystal:
         cmake_cmd.append('-DOPENMC_USE_NCRYSTAL=ON')
-        ncrystal_path = os.environ.get('CMAKE_PREFIX_PATH')
-        cmake_cmd.append('-DCMAKE_PREFIX_PATH=' + ncrystal_path)
+        ncrystal_cmake_path = os.environ.get('HOME')+'/ncrystal_inst/lib/cmake'
+        cmake_cmd.append('-DCMAKE_PREFIX_PATH=' + ncrystal_cmake_path)
 
     # Build in coverage mode for coverage testing
     cmake_cmd.append('-DOPENMC_ENABLE_COVERAGE=on')

From 19bf624b34806efcffc52a8f18ad915624b8811b Mon Sep 17 00:00:00 2001
From: Jose Ignacio Marquez Damian <22483345+marquezj@users.noreply.github.com>
Date: Mon, 28 Nov 2022 11:03:41 -0300
Subject: [PATCH 1326/2654] Add NCrystal installation test

---
 tools/ci/gha-script.sh | 5 +++++
 1 file changed, 5 insertions(+)

diff --git a/tools/ci/gha-script.sh b/tools/ci/gha-script.sh
index c791167e9..4c125b529 100755
--- a/tools/ci/gha-script.sh
+++ b/tools/ci/gha-script.sh
@@ -14,5 +14,10 @@ if [[ $EVENT == 'y' ]]; then
   args="${args} --event "
 fi
 
+# Check NCrystal installation
+if [[ $NCRYSTAL = 'y' ]]; then
+    nctool --test
+fi
+
 # Run regression and unit tests
 pytest --cov=openmc -v $args tests

From 4391d601fde4f74f91d594238e98564632c695b8 Mon Sep 17 00:00:00 2001
From: Jose Ignacio Marquez Damian <22483345+marquezj@users.noreply.github.com>
Date: Mon, 28 Nov 2022 11:06:06 -0300
Subject: [PATCH 1327/2654] find NCrystal

---
 cmake/OpenMCConfig.cmake.in | 5 +++++
 1 file changed, 5 insertions(+)

diff --git a/cmake/OpenMCConfig.cmake.in b/cmake/OpenMCConfig.cmake.in
index d0e2beb82..162e3aad7 100644
--- a/cmake/OpenMCConfig.cmake.in
+++ b/cmake/OpenMCConfig.cmake.in
@@ -9,6 +9,11 @@ if(@OPENMC_USE_DAGMC@)
   find_package(DAGMC REQUIRED HINTS @DAGMC_DIR@)
 endif()
 
+if(@OPENMC_USE_NCRYSTAL@)
+  find_package(NCrystal REQUIRED)
+  message(STATUS "Found NCrystal: ${NCrystal_DIR} (version ${NCrystal_VERSION})")
+endif()
+
 if(@OPENMC_USE_LIBMESH@)
   include(FindPkgConfig)
   list(APPEND CMAKE_PREFIX_PATH @LIBMESH_PREFIX@)

From e626447a4e8dbce5ff8211b0ada661c329e3cd3d Mon Sep 17 00:00:00 2001
From: Jose Ignacio Marquez Damian <22483345+marquezj@users.noreply.github.com>
Date: Mon, 28 Nov 2022 11:18:32 -0300
Subject: [PATCH 1328/2654] Update gha-script.sh

---
 tools/ci/gha-script.sh | 2 ++
 1 file changed, 2 insertions(+)

diff --git a/tools/ci/gha-script.sh b/tools/ci/gha-script.sh
index 4c125b529..85fdef49f 100755
--- a/tools/ci/gha-script.sh
+++ b/tools/ci/gha-script.sh
@@ -16,6 +16,8 @@ fi
 
 # Check NCrystal installation
 if [[ $NCRYSTAL = 'y' ]]; then
+    # Change environmental variables
+    eval $( "${HOME}/ncrystal_inst/bin/ncrystal-config" --setup )
     nctool --test
 fi
 

From 71631ada048c9ca870765dfbd32c6bbc0c4e623e Mon Sep 17 00:00:00 2001
From: josh <josh@radiantnuclear.com>
Date: Tue, 29 Nov 2022 03:39:39 +0000
Subject: [PATCH 1329/2654] fix universe's get_nuclide_density without volumes
 present

---
 openmc/universe.py                |  2 +-
 tests/unit_tests/test_universe.py | 11 +++++++++++
 2 files changed, 12 insertions(+), 1 deletion(-)

diff --git a/openmc/universe.py b/openmc/universe.py
index 94ea5624a..db0d55f21 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -469,7 +469,7 @@ class Universe(UniverseBase):
         """
         nuclides = OrderedDict()
 
-        if self._atoms is not None:
+        if len(self._atoms) > 0:
             volume = self.volume
             for name, atoms in self._atoms.items():
                 nuclide = openmc.Nuclide(name)
diff --git a/tests/unit_tests/test_universe.py b/tests/unit_tests/test_universe.py
index ab3fd6e33..6f4177f54 100644
--- a/tests/unit_tests/test_universe.py
+++ b/tests/unit_tests/test_universe.py
@@ -132,3 +132,14 @@ def test_create_xml(cell_with_lattice):
     assert all(c.get('universe') == str(u.id) for c in cell_elems)
     assert not (set(c.get('id') for c in cell_elems) ^
                 set(str(c.id) for c in cells))
+
+
+def test_get_nuclide_densities():
+    surf = openmc.Sphere()
+    material = openmc.Material()
+    material.add_elements_from_formula("H2O")
+    material.set_density("g/cm3", 1)
+    cell = openmc.Cell(region=-surf,fill=material)
+    universe = openmc.Universe(cells=[cell])
+    with pytest.raises(RuntimeError):
+        universe.get_nuclide_densities()

From e7b4285bd5214d0028700c07897fe60919ef8689 Mon Sep 17 00:00:00 2001
From: Jose Ignacio Marquez Damian <marquezj@ess.eu>
Date: Tue, 29 Nov 2022 11:21:04 +0100
Subject: [PATCH 1330/2654] Cleanup

---
 docs/source/methods/cross_sections.rst | 2 +-
 docs/source/usersguide/materials.rst   | 2 +-
 tools/ci/gha-install-ncrystal.sh       | 2 --
 3 files changed, 2 insertions(+), 4 deletions(-)

diff --git a/docs/source/methods/cross_sections.rst b/docs/source/methods/cross_sections.rst
index 64e4fac3d..0b87913e5 100644
--- a/docs/source/methods/cross_sections.rst
+++ b/docs/source/methods/cross_sections.rst
@@ -189,7 +189,7 @@ cannot currently included in ACE files such as oriented single crystals (see the
 and further extend the physics `using plugins`_. Thermal scattering kernels are generated on
 the fly from dynamic and structural data, or loaded from :math:`S(\alpha,\beta)` tables converted
 from ENDF6 evaluations. These kernels are sampled in a direct way using a fast `rejection algorithm`_ 
-that does not require previous processing. A `large library` of materials is already included in
+that does not require previous processing. A `large library`_ of materials is already included in
 the NCrystal distribution, and new materials can be easily defined from scratch in the `NCMAT format`_
 or `combining existing files`_.
 
diff --git a/docs/source/usersguide/materials.rst b/docs/source/usersguide/materials.rst
index 1eaae846c..a3c05f421 100644
--- a/docs/source/usersguide/materials.rst
+++ b/docs/source/usersguide/materials.rst
@@ -106,7 +106,7 @@ Adding NCrystal materials
 ------------------
 
 Additional support for thermal scattering can be added by using NCrystal_.
-The :meth:`Material.from_ncrystal` class method generates a material object from
+The :meth:`Material.from_ncrystal` class method generates a :class:`openmc.Material` object from
 an `NCrystal configuration string <https://github.com/mctools/ncrystal/wiki/Using-NCrystal#uniform-material-configuration-syntax>`_.
 Temperature, material composition and density are passed from the configuration string
 and the `NCMAT file <https://github.com/mctools/ncrystal/wiki/NCMAT-format>`_
diff --git a/tools/ci/gha-install-ncrystal.sh b/tools/ci/gha-install-ncrystal.sh
index 390b7dba5..16f77e13e 100755
--- a/tools/ci/gha-install-ncrystal.sh
+++ b/tools/ci/gha-install-ncrystal.sh
@@ -15,8 +15,6 @@ CPU_COUNT=1
 mkdir "$BLD_DIR"
 cd ncrystal_bld
 
-#cmake -Dstatic=on .. && make 2>/dev/null && sudo make install
-
 cmake \
     "${SRC_DIR}" \
     -DBUILD_SHARED_LIBS=ON \

From 01e86efc9e40ebe815323581be1d9d024fe19a6c Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 29 Nov 2022 13:29:57 -0600
Subject: [PATCH 1331/2654] Only show print() output from openmc.deplete on
 rank 0

---
 openmc/deplete/abc.py | 6 +++---
 1 file changed, 3 insertions(+), 3 deletions(-)

diff --git a/openmc/deplete/abc.py b/openmc/deplete/abc.py
index 279082c30..5b405b1d5 100644
--- a/openmc/deplete/abc.py
+++ b/openmc/deplete/abc.py
@@ -798,7 +798,7 @@ class Integrator(ABC):
             t, self._i_res = self._get_start_data()
 
             for i, (dt, source_rate) in enumerate(self):
-                if output:
+                if output and comm.rank == 0:
                     print(f"[openmc.deplete] t={t} s, dt={dt} s, source={source_rate}")
 
                 # Solve transport equation (or obtain result from restart)
@@ -818,7 +818,7 @@ class Integrator(ABC):
                 conc = conc_list.pop()
 
                 StepResult.save(self.operator, conc_list, res_list, [t, t + dt],
-                             source_rate, self._i_res + i, proc_time)
+                                source_rate, self._i_res + i, proc_time)
 
                 t += dt
 
@@ -826,7 +826,7 @@ class Integrator(ABC):
             # source rate is passed to the transport operator (which knows to
             # just return zero reaction rates without actually doing a transport
             # solve)
-            if output and final_step:
+            if output and final_step and comm.rank == 0:
                 print(f"[openmc.deplete] t={t} (final operator evaluation)")
             res_list = [self.operator(conc, source_rate if final_step else 0.0)]
             StepResult.save(self.operator, [conc], res_list, [t, t],

From b66d9e0a907c2bd87547d6016f3d41c8455e8a22 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 29 Nov 2022 16:21:47 -0600
Subject: [PATCH 1332/2654] Add check for presence of atomic relaxation data in
 PhotonInteraction

---
 include/openmc/photon.h |  3 +++
 openmc/data/photon.py   |  4 +++-
 src/photon.cpp          | 14 ++++++++++++--
 3 files changed, 18 insertions(+), 3 deletions(-)

diff --git a/include/openmc/photon.h b/include/openmc/photon.h
index 09fb3ba01..9901c8c6d 100644
--- a/include/openmc/photon.h
+++ b/include/openmc/photon.h
@@ -100,6 +100,9 @@ public:
   // Bremsstrahlung scaled DCS
   xt::xtensor<double, 2> dcs_;
 
+  // Whether atomic relaxation data is present
+  bool has_atomic_relaxation_ {false};
+
   // Constant data
   static constexpr int MAX_STACK_SIZE =
     7; //!< maximum possible size of atomic relaxation stack
diff --git a/openmc/data/photon.py b/openmc/data/photon.py
index 48ecc3748..fc5da19eb 100644
--- a/openmc/data/photon.py
+++ b/openmc/data/photon.py
@@ -13,7 +13,7 @@ from scipy.interpolate import CubicSpline
 
 import openmc.checkvalue as cv
 from openmc.mixin import EqualityMixin
-from . import HDF5_VERSION
+from . import HDF5_VERSION, HDF5_VERSION_MAJOR
 from .ace import Table, get_metadata, get_table
 from .data import ATOMIC_SYMBOL, EV_PER_MEV
 from .endf import Evaluation, get_head_record, get_tab1_record, get_list_record
@@ -143,6 +143,8 @@ class AtomicRelaxation(EqualityMixin):
         Dictionary indicating the number of electrons in a subshell when neutral
         (values) for given subshells (keys). The subshells should be given as
         strings, e.g., 'K', 'L1', 'L2', etc.
+    subshells : list
+        List of subshells as strings, e.g. ``['K', 'L1', ...]``
     transitions : pandas.DataFrame
         Dictionary indicating allowed transitions and their probabilities
         (values) for given subshells (keys). The subshells should be given as
diff --git a/src/photon.cpp b/src/photon.cpp
index a500ff2d4..590e0cc9f 100644
--- a/src/photon.cpp
+++ b/src/photon.cpp
@@ -156,8 +156,14 @@ PhotonInteraction::PhotonInteraction(hid_t group)
 
     // Read binding energy and number of electrons
     hid_t tgroup = open_group(rgroup, designator.c_str());
-    read_attribute(tgroup, "binding_energy", shell.binding_energy);
-    read_attribute(tgroup, "num_electrons", shell.n_electrons);
+
+    // Read binding energy energy and number of electrons if atomic relaxation
+    // data is present
+    if (attribute_exists(tgroup, "binding_energy")) {
+      has_atomic_relaxation_ = true;
+      read_attribute(tgroup, "binding_energy", shell.binding_energy);
+      read_attribute(tgroup, "num_electrons", shell.n_electrons);
+    }
 
     // Read subshell cross section
     xt::xtensor<double, 1> xs;
@@ -757,6 +763,10 @@ void PhotonInteraction::pair_production(double alpha, double* E_electron,
 
 void PhotonInteraction::atomic_relaxation(int i_shell, Particle& p) const
 {
+  // Return if no atomic relaxation data is present
+  if (!has_atomic_relaxation_)
+    return;
+
   // Stack for unprocessed holes left by transitioning electrons
   int n_holes = 0;
   array<int, MAX_STACK_SIZE> holes;

From ea7e2a13d0b10a62ac6d7b5a80efd3d7dd48bbe2 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 29 Nov 2022 17:31:29 -0600
Subject: [PATCH 1333/2654] Docs: clarify use of environment variables in tests

---
 docs/source/devguide/tests.rst | 8 ++++++--
 1 file changed, 6 insertions(+), 2 deletions(-)

diff --git a/docs/source/devguide/tests.rst b/docs/source/devguide/tests.rst
index d55713062..922f47eb3 100644
--- a/docs/source/devguide/tests.rst
+++ b/docs/source/devguide/tests.rst
@@ -31,9 +31,13 @@ Prerequisites
 
 - The test suite requires a specific set of cross section data in order for
   tests to pass. A download URL for the data that OpenMC expects can be found
-  within ``tools/ci/download-xs.sh``.
+  within ``tools/ci/download-xs.sh``. Once the tarball is downloaded and
+  unpacked, set the :envvar:`OPENMC_CROSS_SECTIONS` environment variable to the
+  path of the ``cross_sections.xml`` file within the unpacked data.
 - In addition to the HDF5 data, some tests rely on ENDF files. A download URL
-  for those can also be found in ``tools/ci/download-xs.sh``.
+  for those can also be found in ``tools/ci/download-xs.sh``. Once the tarball
+  is downloaded and unpacked, set the :envvar:`OPENMC_ENDF_DATA` environment
+  variable to the top-level directory of the unpacked tarball.
 - Some tests require `NJOY <https://www.njoy21.io/NJOY2016>`_ to preprocess
   cross section data. The test suite assumes that you have an ``njoy``
   executable available on your :envvar:`PATH`.

From 3f83699c225629688d8111e4b1fea9882c744af1 Mon Sep 17 00:00:00 2001
From: josh <josh@radiantnuclear.com>
Date: Wed, 30 Nov 2022 00:59:26 +0000
Subject: [PATCH 1334/2654] update styling

---
 openmc/universe.py                | 2 +-
 tests/unit_tests/test_universe.py | 2 +-
 2 files changed, 2 insertions(+), 2 deletions(-)

diff --git a/openmc/universe.py b/openmc/universe.py
index db0d55f21..bdd6e6ec9 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -469,7 +469,7 @@ class Universe(UniverseBase):
         """
         nuclides = OrderedDict()
 
-        if len(self._atoms) > 0:
+        if self._atoms:
             volume = self.volume
             for name, atoms in self._atoms.items():
                 nuclide = openmc.Nuclide(name)
diff --git a/tests/unit_tests/test_universe.py b/tests/unit_tests/test_universe.py
index 6f4177f54..33c86b150 100644
--- a/tests/unit_tests/test_universe.py
+++ b/tests/unit_tests/test_universe.py
@@ -139,7 +139,7 @@ def test_get_nuclide_densities():
     material = openmc.Material()
     material.add_elements_from_formula("H2O")
     material.set_density("g/cm3", 1)
-    cell = openmc.Cell(region=-surf,fill=material)
+    cell = openmc.Cell(region=-surf, fill=material)
     universe = openmc.Universe(cells=[cell])
     with pytest.raises(RuntimeError):
         universe.get_nuclide_densities()

From 43c0dcb1b8f00418a338bfe85181ed99c0430b7c Mon Sep 17 00:00:00 2001
From: valeriogiusti <77335624+valeriogiusti@users.noreply.github.com>
Date: Thu, 1 Dec 2022 11:49:52 +0100
Subject: [PATCH 1335/2654] Update universe.py

Running a Jupyter notebook prepared some time ago, I got the following error when trying to plot a universe.

```
---------------------------------------------------------------------------
TypeError                                 Traceback (most recent call last)
<ipython-input-6-6d5315041afe> in <module>
      1 universe = openmc.Universe(cells=(fuel, moderator))
----> 2 universe.plot(origin=[0.,0.,0.],width=[2.4,2.4],basis='xy')

~/.local/lib/python3.8/site-packages/openmc/universe.py in plot(self, origin, width, pixels, basis, color_by, colors, seed, openmc_exec, axes, **kwargs)
    362             if not img_path.is_file():
    363                 img_path = img_path.with_suffix('.ppm')
--> 364             img = mpimg.imread(img_path)
    365
    366             # Create a figure sized such that the size of the axes within

/usr/lib/python3/dist-packages/matplotlib/image.py in imread(fname, format)
   1434                 return handler(fd)
   1435     else:
-> 1436         return handler(fname)
   1437
   1438

/usr/lib/python3/dist-packages/matplotlib/image.py in read_png(*args, **kwargs)
   1388     def read_png(*args, **kwargs):
   1389         from matplotlib import _png
-> 1390         return _png.read_png(*args, **kwargs)
   1391
   1392     handlers = {'png': read_png, }

TypeError: Object does not appear to be a 8-bit string path or a Python file-like object

```
The error disappears and the plot is correctly shown if line 364 is changed as follows:

`img = mpimg.imread(str(img_path))`

Does this change sound reasonable? I'm running Python 3.8.10.
---
 openmc/universe.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/universe.py b/openmc/universe.py
index bdd6e6ec9..9c93e6da1 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -361,7 +361,7 @@ class Universe(UniverseBase):
             img_path = Path(tmpdir) / f'plot_{plot.id}.png'
             if not img_path.is_file():
                 img_path = img_path.with_suffix('.ppm')
-            img = mpimg.imread(img_path)
+            img = mpimg.imread(str(img_path))
 
             # Create a figure sized such that the size of the axes within
             # exactly matches the number of pixels specified

From e99f6e45e9373acaca773e3930704fff0d726880 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Mon, 5 Dec 2022 10:33:52 -0600
Subject: [PATCH 1336/2654] Fix algorithm for adding parentheses in region
 expressions

---
 src/cell.cpp | 54 ++++++++++++++++++++++++++++++++++------------------
 1 file changed, 36 insertions(+), 18 deletions(-)

diff --git a/src/cell.cpp b/src/cell.cpp
index 10799fedb..9ba14c6cf 100644
--- a/src/cell.cpp
+++ b/src/cell.cpp
@@ -100,11 +100,15 @@ void Cell::set_temperature(double T, int32_t instance, bool set_contained)
 {
   if (settings::temperature_method == TemperatureMethod::INTERPOLATION) {
     if (T < (data::temperature_min - settings::temperature_tolerance)) {
-      throw std::runtime_error {fmt::format("Temperature of {} K is below minimum temperature at "
-                                "which data is available of {} K.", T, data::temperature_min)};
+      throw std::runtime_error {
+        fmt::format("Temperature of {} K is below minimum temperature at "
+                    "which data is available of {} K.",
+          T, data::temperature_min)};
     } else if (T > (data::temperature_max + settings::temperature_tolerance)) {
-      throw std::runtime_error {fmt::format("Temperature of {} K is above maximum temperature at "
-                                "which data is available of {} K.", T, data::temperature_max)};
+      throw std::runtime_error {
+        fmt::format("Temperature of {} K is above maximum temperature at "
+                    "which data is available of {} K.",
+          T, data::temperature_max)};
     }
   }
 
@@ -586,8 +590,13 @@ std::vector<int32_t>::iterator Region::add_parentheses(
   }
   start++;
 
-  // Initialize return iterator
-  auto return_iterator = expression_.begin();
+  // Keep track of return iterator distance. If we don't encounter a left
+  // parenthesis, we return an iterator corresponding to wherever the right
+  // parenthesis is inserted. If a left parenthesis is encountered, an iterator
+  // corresponding to the left parenthesis is returned. Also note that we keep
+  // track of a *distance* instead of an iterator because the underlying memory
+  // allocation may change.
+  std::size_t return_it_dist = 0;
 
   // Add right parenthesis
   // While the start iterator is within the bounds of infix
@@ -600,9 +609,9 @@ std::vector<int32_t>::iterator Region::add_parentheses(
       // add right parenthesis, right parenthesis position depends on the
       // operator, when the operator is a union then do not include the operator
       // in the region, when the operator is an intersection then include the
-      // operato and next surface
+      // operator and next surface
       if (*start == OP_LEFT_PAREN) {
-        return_iterator = start;
+        return_it_dist = std::distance(expression_.begin(), start);
         int depth = 1;
         do {
           start++;
@@ -617,20 +626,22 @@ std::vector<int32_t>::iterator Region::add_parentheses(
       } else {
         start = expression_.insert(
           start_token == OP_UNION ? start - 1 : start, OP_RIGHT_PAREN);
-        if (return_iterator == expression_.begin()) {
-          return_iterator = start - 1;
+        if (return_it_dist > 0) {
+          return expression_.begin() + return_it_dist;
+        } else {
+          return start - 1;
         }
-        return return_iterator;
       }
     }
   }
   // If we get here a right parenthesis hasn't been placed,
   // return iterator
   expression_.push_back(OP_RIGHT_PAREN);
-  if (return_iterator == expression_.begin()) {
-    return_iterator = start - 1;
+  if (return_it_dist > 0) {
+    return expression_.begin() + return_it_dist;
+  } else {
+    return start - 1;
   }
-  return return_iterator;
 }
 
 //==============================================================================
@@ -638,6 +649,7 @@ std::vector<int32_t>::iterator Region::add_parentheses(
 void Region::add_precedence()
 {
   int32_t current_op = 0;
+  std::size_t current_dist = 0;
 
   for (auto it = expression_.begin(); it != expression_.end(); it++) {
     int32_t token = *it;
@@ -646,15 +658,22 @@ void Region::add_precedence()
       if (current_op == 0) {
         // Set the current operator if is hasn't been set
         current_op = token;
+        current_dist = std::distance(expression_.begin(), it);
       } else if (token != current_op) {
         // If the current operator doesn't match the token, add parenthesis to
         // assert precedence
-        it = add_parentheses(it);
+        if (current_op == OP_INTERSECTION) {
+          it = add_parentheses(expression_.begin() + current_dist);
+        } else {
+          it = add_parentheses(it);
+        }
         current_op = 0;
+        current_dist = 0;
       }
     } else if (token > OP_COMPLEMENT) {
       // If the token is a parenthesis reset the current operator
       current_op = 0;
+      current_dist = 0;
     }
   }
 }
@@ -770,7 +789,6 @@ std::pair<double, int32_t> Region::distance(
   double min_dist {INFTY};
   int32_t i_surf {std::numeric_limits<int32_t>::max()};
 
-
   for (int32_t token : expression_) {
     // Ignore this token if it corresponds to an operator rather than a region.
     if (token >= OP_UNION)
@@ -943,13 +961,13 @@ vector<int32_t> Region::surfaces() const
 
   vector<int32_t> surfaces = expression_;
 
-  auto it = std::find_if(surfaces.begin(), surfaces.end(), 
+  auto it = std::find_if(surfaces.begin(), surfaces.end(),
     [&](const auto& value) { return value >= OP_UNION; });
 
   while (it != surfaces.end()) {
     surfaces.erase(it);
 
-    it = std::find_if(surfaces.begin(), surfaces.end(), 
+    it = std::find_if(surfaces.begin(), surfaces.end(),
       [&](const auto& value) { return value >= OP_UNION; });
   }
 

From db6a818a566ab84fdc523da0c5fb153422a8091c Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Mon, 5 Dec 2022 10:35:24 -0600
Subject: [PATCH 1337/2654] Ensure complex cell test case covers need for
 adding precedence

---
 tests/regression_tests/complex_cell/geometry.xml | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/tests/regression_tests/complex_cell/geometry.xml b/tests/regression_tests/complex_cell/geometry.xml
index a695396e0..638c7c9b8 100644
--- a/tests/regression_tests/complex_cell/geometry.xml
+++ b/tests/regression_tests/complex_cell/geometry.xml
@@ -19,7 +19,7 @@
 
   <cell id="1" material="1" region="3 -4 13 -14" />
   <cell id="2" material="2" region="2 -5 12 -15 ~(3 -4 13 -14)" />
-  <cell id="3" material="3" region="((1 -7 17 -16) | (7 -6 11 -17)) (-2 | 5 | -12 | 15)" />
+  <cell id="3" material="3" region="(1 -7 17 -16 | 7 -6 11 -17) (-2 | 5 | -12 | 15)" />
   <cell id="4" material="4" region="((1 -7 11 -17) | (7 -6 17 -16)) ~(2 -5 12 -15)" />
 
 </geometry>

From 185920a7f1c99f6943934289c5a574e9e1dbb45a Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Mon, 5 Dec 2022 16:19:58 -0600
Subject: [PATCH 1338/2654] Allow source particles with energy below cutoff
 (will just deposit energy)

---
 docs/source/usersguide/tallies.rst | 5 ++---
 src/source.cpp                     | 7 ++-----
 2 files changed, 4 insertions(+), 8 deletions(-)

diff --git a/docs/source/usersguide/tallies.rst b/docs/source/usersguide/tallies.rst
index da2c5f26d..97ca319a2 100644
--- a/docs/source/usersguide/tallies.rst
+++ b/docs/source/usersguide/tallies.rst
@@ -269,9 +269,8 @@ The following tables show all valid scores:
     |heating               |Total nuclear heating in units of eV per source    |
     |                      |particle. For neutrons, this corresponds to MT=301 |
     |                      |produced by NJOY's HEATR module while for photons, |
-    |                      |this is tallied from either direct photon energy   |
-    |                      |deposition (analog estimator) or pre-generated     |
-    |                      |photon heating number. See :ref:`methods_heating`  |
+    |                      |this is tallied from direct photon energy          |
+    |                      |deposition. See :ref:`methods_heating`.            |
     +----------------------+---------------------------------------------------+
     |heating-local         |Total nuclear heating in units of eV per source    |
     |                      |particle assuming energy from secondary photons is |
diff --git a/src/source.cpp b/src/source.cpp
index d201e3c03..3a80e1156 100644
--- a/src/source.cpp
+++ b/src/source.cpp
@@ -256,9 +256,6 @@ SourceSite IndependentSource::sample(uint64_t* seed) const
     if (xt::any(energies > data::energy_max[p])) {
       fatal_error("Source energy above range of energies of at least "
                   "one cross section table");
-    } else if (xt::any(energies < data::energy_min[p])) {
-      fatal_error("Source energy below range of energies of at least "
-                  "one cross section table");
     }
   }
 
@@ -266,8 +263,8 @@ SourceSite IndependentSource::sample(uint64_t* seed) const
     // Sample energy spectrum
     site.E = energy_->sample(seed);
 
-    // Resample if energy falls outside minimum or maximum particle energy
-    if (site.E < data::energy_max[p] && site.E > data::energy_min[p])
+    // Resample if energy falls above maximum particle energy
+    if (site.E < data::energy_max[p])
       break;
 
     n_reject++;

From f9309bf09094445c9bca3c42bdf2d5c93fe77dc9 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Mon, 5 Dec 2022 22:09:52 -0600
Subject: [PATCH 1339/2654] Check for valid binding energy for photoelectric
 effect

---
 src/photon.cpp  | 1 -
 src/physics.cpp | 9 ++++++++-
 2 files changed, 8 insertions(+), 2 deletions(-)

diff --git a/src/photon.cpp b/src/photon.cpp
index 590e0cc9f..c4beff019 100644
--- a/src/photon.cpp
+++ b/src/photon.cpp
@@ -154,7 +154,6 @@ PhotonInteraction::PhotonInteraction(hid_t group)
 
     // TODO: Move to ElectronSubshell constructor
 
-    // Read binding energy and number of electrons
     hid_t tgroup = open_group(rgroup, designator.c_str());
 
     // Read binding energy energy and number of electrons if atomic relaxation
diff --git a/src/physics.cpp b/src/physics.cpp
index ae59b49cb..7d391fdf6 100644
--- a/src/physics.cpp
+++ b/src/physics.cpp
@@ -366,7 +366,14 @@ void sample_photon_reaction(Particle& p)
         xs_lower(i_shell) + f * (xs_upper(i_shell) - xs_lower(i_shell)));
 
       if (prob > cutoff) {
-        double E_electron = p.E() - shell.binding_energy;
+        // Determine binding energy based on whether atomic relaxation data is
+        // present (if not, use value from Compton profile data)
+        double binding_energy = element.has_atomic_relaxation_
+                                  ? shell.binding_energy
+                                  : element.binding_energy_[i_shell];
+
+        // Determine energy of secondary electron
+        double E_electron = p.E() - binding_energy;
 
         // Sample mu using non-relativistic Sauter distribution.
         // See Eqns 3.19 and 3.20 in "Implementing a photon physics

From f9884650ece2ae1398bcb6bea31c1b39a98b7a0e Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Mon, 5 Dec 2022 23:10:01 -0600
Subject: [PATCH 1340/2654] Fix IncidentNeutron.from_njoy for high temperatures

---
 openmc/data/neutron.py                | 3 +--
 tests/unit_tests/test_data_neutron.py | 9 +++++++++
 2 files changed, 10 insertions(+), 2 deletions(-)

diff --git a/openmc/data/neutron.py b/openmc/data/neutron.py
index db78ce27b..e0574d76d 100644
--- a/openmc/data/neutron.py
+++ b/openmc/data/neutron.py
@@ -868,9 +868,8 @@ class IncidentNeutron(EqualityMixin):
 
             heatr_evals = get_evaluations(kwargs["heatr"])
             heatr_local_evals = get_evaluations(kwargs["heatr"] + "_local")
-            for ev, ev_local in zip(heatr_evals, heatr_local_evals):
-                temp = "{}K".format(round(ev.target["temperature"]))
 
+            for ev, ev_local, temp in zip(heatr_evals, heatr_local_evals, data.temperatures):
                 # Get total KERMA (originally from ACE file) and energy grid
                 kerma = data.reactions[301].xs[temp]
                 E = kerma.x
diff --git a/tests/unit_tests/test_data_neutron.py b/tests/unit_tests/test_data_neutron.py
index 0b33f05fc..c0d6a1f15 100644
--- a/tests/unit_tests/test_data_neutron.py
+++ b/tests/unit_tests/test_data_neutron.py
@@ -531,3 +531,12 @@ def test_ace_table_types():
     assert TT.from_suffix('20t') == TT.THERMAL_SCATTERING
     with pytest.raises(ValueError):
         TT.from_suffix('z')
+
+
+@needs_njoy
+def test_high_temperature():
+    endf_data = os.environ['OPENMC_ENDF_DATA']
+    endf_file = os.path.join(endf_data, 'neutrons', 'n-001_H_001.endf')
+
+    # Ensure that from_njoy works when given a high temperature
+    openmc.data.IncidentNeutron.from_njoy(endf_file, temperatures=[123_456.0])

From 5b807d4e6cdb988a10e42647f98c7f0da1ac3000 Mon Sep 17 00:00:00 2001
From: josh <josh@radiantnuclear.com>
Date: Tue, 6 Dec 2022 18:31:28 +0000
Subject: [PATCH 1341/2654] add capability to set cell temperature to None

---
 openmc/cell.py                | 4 ++--
 tests/unit_tests/test_cell.py | 3 +++
 2 files changed, 5 insertions(+), 2 deletions(-)

diff --git a/openmc/cell.py b/openmc/cell.py
index 0cea73b32..9a7c00962 100644
--- a/openmc/cell.py
+++ b/openmc/cell.py
@@ -318,12 +318,12 @@ class Cell(IDManagerMixin):
     @temperature.setter
     def temperature(self, temperature):
         # Make sure temperatures are positive
-        cv.check_type('cell temperature', temperature, (Iterable, Real))
+        cv.check_type('cell temperature', temperature, (Iterable, Real), none_ok=True)
         if isinstance(temperature, Iterable):
             cv.check_type('cell temperature', temperature, Iterable, Real)
             for T in temperature:
                 cv.check_greater_than('cell temperature', T, 0.0, True)
-        else:
+        elif isinstance(temperature, Real):
             cv.check_greater_than('cell temperature', temperature, 0.0, True)
 
         # If this cell is filled with a universe or lattice, propagate
diff --git a/tests/unit_tests/test_cell.py b/tests/unit_tests/test_cell.py
index 56e610e26..1c2e1b70e 100644
--- a/tests/unit_tests/test_cell.py
+++ b/tests/unit_tests/test_cell.py
@@ -92,6 +92,9 @@ def test_temperature(cell_with_lattice):
     assert c2.temperature == 400.0
     with pytest.raises(ValueError):
         c.temperature = -100.
+    c.temperature = None
+    assert c1.temperature == None
+    assert c2.temperature == None
 
     # distributed temperature
     cells, _, _, _ = cell_with_lattice

From 2555b951a4c585ab31942d4a718c2c5354d082a8 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 3 Nov 2022 18:27:53 -0500
Subject: [PATCH 1342/2654] Factor out to_xml_element methods for XML classes

---
 openmc/geometry.py |  52 +++++++++++++--------
 openmc/plots.py    |  21 +++++----
 openmc/settings.py | 109 ++++++++++++++++++++++++---------------------
 openmc/tallies.py  |  25 +++++++----
 4 files changed, 120 insertions(+), 87 deletions(-)

diff --git a/openmc/geometry.py b/openmc/geometry.py
index 3b6933362..889cb6b31 100644
--- a/openmc/geometry.py
+++ b/openmc/geometry.py
@@ -103,6 +103,38 @@ class Geometry:
                 if universe.id in volume_calc.volumes:
                     universe.add_volume_information(volume_calc)
 
+    def to_xml_element(self, remove_surfs=False):
+        """Creates a 'geometry' element to be written to an XML file.
+
+        Parameters
+        ----------
+        remove_surfs : bool
+            Whether or not to remove redundant surfaces from the geometry when
+            exporting
+
+        """
+        # Find and remove redundant surfaces from the geometry
+        if remove_surfs:
+            warnings.warn("remove_surfs kwarg will be deprecated soon, please "
+                          "set the Geometry.merge_surfaces attribute instead.")
+            self.merge_surfaces = True
+
+        if self.merge_surfaces:
+            self.remove_redundant_surfaces()
+
+        # Create XML representation
+        element = ET.Element("geometry")
+        self.root_universe.create_xml_subelement(element, memo=set())
+
+        # Sort the elements in the file
+        element[:] = sorted(element, key=lambda x: (
+            x.tag, int(x.get('id'))))
+
+        # Clean the indentation in the file to be user-readable
+        xml.clean_indentation(element)
+
+        return element
+
     def export_to_xml(self, path='geometry.xml', remove_surfs=False):
         """Export geometry to an XML file.
 
@@ -117,25 +149,7 @@ class Geometry:
             .. versionadded:: 0.12
 
         """
-        # Find and remove redundant surfaces from the geometry
-        if remove_surfs:
-            warnings.warn("remove_surfs kwarg will be deprecated soon, please "
-                          "set the Geometry.merge_surfaces attribute instead.")
-            self.merge_surfaces = True
-
-        if self.merge_surfaces:
-            self.remove_redundant_surfaces()
-
-        # Create XML representation
-        root_element = ET.Element("geometry")
-        self.root_universe.create_xml_subelement(root_element, memo=set())
-
-        # Sort the elements in the file
-        root_element[:] = sorted(root_element, key=lambda x: (
-            x.tag, int(x.get('id'))))
-
-        # Clean the indentation in the file to be user-readable
-        xml.clean_indentation(root_element)
+        root_element = self.to_xml_element(remove_surfs)
 
         # Check if path is a directory
         p = Path(path)
diff --git a/openmc/plots.py b/openmc/plots.py
index 2708683b1..52dcf3fc1 100644
--- a/openmc/plots.py
+++ b/openmc/plots.py
@@ -909,14 +909,8 @@ class Plots(cv.CheckedList):
 
             self._plots_file.append(xml_element)
 
-    def export_to_xml(self, path='plots.xml'):
-        """Export plot specifications to an XML file.
-
-        Parameters
-        ----------
-        path : str
-            Path to file to write. Defaults to 'plots.xml'.
-
+    def to_xml_element(self):
+        """Create a 'plots' element to be written to an XML file.
         """
         # Reset xml element tree
         self._plots_file.clear()
@@ -926,6 +920,17 @@ class Plots(cv.CheckedList):
         # Clean the indentation in the file to be user-readable
         clean_indentation(self._plots_file)
 
+        return self._plots_file
+
+    def export_to_xml(self, path='plots.xml'):
+        """Export plot specifications to an XML file.
+
+        Parameters
+        ----------
+        path : str
+            Path to file to write. Defaults to 'plots.xml'.
+
+        """
         # Check if path is a directory
         p = Path(path)
         if p.is_dir():
diff --git a/openmc/settings.py b/openmc/settings.py
index 7d327ce7c..29e19db2e 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -1539,6 +1539,63 @@ class Settings:
         if text is not None:
             self.max_tracks = int(text)
 
+    def to_xml_element(self):
+        """Create a 'settings' element to be written to an XML file.
+        """
+
+        # Reset xml element tree
+        element = ET.Element("settings")
+
+        self._create_run_mode_subelement(element)
+        self._create_particles_subelement(element)
+        self._create_batches_subelement(element)
+        self._create_inactive_subelement(element)
+        self._create_max_lost_particles_subelement(element)
+        self._create_rel_max_lost_particles_subelement(element)
+        self._create_generations_per_batch_subelement(element)
+        self._create_keff_trigger_subelement(element)
+        self._create_source_subelement(element)
+        self._create_output_subelement(element)
+        self._create_statepoint_subelement(element)
+        self._create_sourcepoint_subelement(element)
+        self._create_surf_source_read_subelement(element)
+        self._create_surf_source_write_subelement(element)
+        self._create_confidence_intervals(element)
+        self._create_electron_treatment_subelement(element)
+        self._create_energy_mode_subelement(element)
+        self._create_max_order_subelement(element)
+        self._create_photon_transport_subelement(element)
+        self._create_ptables_subelement(element)
+        self._create_seed_subelement(element)
+        self._create_survival_biasing_subelement(element)
+        self._create_cutoff_subelement(element)
+        self._create_entropy_mesh_subelement(element)
+        self._create_trigger_subelement(element)
+        self._create_no_reduce_subelement(element)
+        self._create_verbosity_subelement(element)
+        self._create_tabular_legendre_subelements(element)
+        self._create_temperature_subelements(element)
+        self._create_trace_subelement(element)
+        self._create_track_subelement(element)
+        self._create_ufs_mesh_subelement(element)
+        self._create_resonance_scattering_subelement(element)
+        self._create_volume_calcs_subelement(element)
+        self._create_create_fission_neutrons_subelement(element)
+        self._create_delayed_photon_scaling_subelement(element)
+        self._create_event_based_subelement(element)
+        self._create_max_particles_in_flight_subelement(element)
+        self._create_material_cell_offsets_subelement(element)
+        self._create_log_grid_bins_subelement(element)
+        self._create_write_initial_source_subelement(element)
+        self._create_weight_windows_subelement(element)
+        self._create_max_splits_subelement(element)
+        self._create_max_tracks_subelement(element)
+
+        # Clean the indentation in the file to be user-readable
+        clean_indentation(element)
+
+        return element
+
     def export_to_xml(self, path: PathLike = 'settings.xml'):
         """Export simulation settings to an XML file.
 
@@ -1548,57 +1605,7 @@ class Settings:
             Path to file to write. Defaults to 'settings.xml'.
 
         """
-
-        # Reset xml element tree
-        root_element = ET.Element("settings")
-
-        self._create_run_mode_subelement(root_element)
-        self._create_particles_subelement(root_element)
-        self._create_batches_subelement(root_element)
-        self._create_inactive_subelement(root_element)
-        self._create_max_lost_particles_subelement(root_element)
-        self._create_rel_max_lost_particles_subelement(root_element)
-        self._create_generations_per_batch_subelement(root_element)
-        self._create_keff_trigger_subelement(root_element)
-        self._create_source_subelement(root_element)
-        self._create_output_subelement(root_element)
-        self._create_statepoint_subelement(root_element)
-        self._create_sourcepoint_subelement(root_element)
-        self._create_surf_source_read_subelement(root_element)
-        self._create_surf_source_write_subelement(root_element)
-        self._create_confidence_intervals(root_element)
-        self._create_electron_treatment_subelement(root_element)
-        self._create_energy_mode_subelement(root_element)
-        self._create_max_order_subelement(root_element)
-        self._create_photon_transport_subelement(root_element)
-        self._create_ptables_subelement(root_element)
-        self._create_seed_subelement(root_element)
-        self._create_survival_biasing_subelement(root_element)
-        self._create_cutoff_subelement(root_element)
-        self._create_entropy_mesh_subelement(root_element)
-        self._create_trigger_subelement(root_element)
-        self._create_no_reduce_subelement(root_element)
-        self._create_verbosity_subelement(root_element)
-        self._create_tabular_legendre_subelements(root_element)
-        self._create_temperature_subelements(root_element)
-        self._create_trace_subelement(root_element)
-        self._create_track_subelement(root_element)
-        self._create_ufs_mesh_subelement(root_element)
-        self._create_resonance_scattering_subelement(root_element)
-        self._create_volume_calcs_subelement(root_element)
-        self._create_create_fission_neutrons_subelement(root_element)
-        self._create_delayed_photon_scaling_subelement(root_element)
-        self._create_event_based_subelement(root_element)
-        self._create_max_particles_in_flight_subelement(root_element)
-        self._create_material_cell_offsets_subelement(root_element)
-        self._create_log_grid_bins_subelement(root_element)
-        self._create_write_initial_source_subelement(root_element)
-        self._create_weight_windows_subelement(root_element)
-        self._create_max_splits_subelement(root_element)
-        self._create_max_tracks_subelement(root_element)
-
-        # Clean the indentation in the file to be user-readable
-        clean_indentation(root_element)
+        root_element = self.to_xml_element()
 
         # Check if path is a directory
         p = Path(path)
diff --git a/openmc/tallies.py b/openmc/tallies.py
index d0355f14e..dfb0c98bf 100644
--- a/openmc/tallies.py
+++ b/openmc/tallies.py
@@ -3155,6 +3155,21 @@ class Tallies(cv.CheckedList):
         for d in derivs:
             root_element.append(d.to_xml_element())
 
+    def to_xml_element(self):
+        """Creates a 'tallies' element to be written to an XML file.
+        """
+        element = ET.Element("tallies")
+        self._create_mesh_subelements(element)
+        self._create_filter_subelements(element)
+        self._create_tally_subelements(element)
+        self._create_derivative_subelements(element)
+
+        # Clean the indentation in the file to be user-readable
+        clean_indentation(element)
+
+        return element
+
+
     def export_to_xml(self, path='tallies.xml'):
         """Create a tallies.xml file that can be used for a simulation.
 
@@ -3164,15 +3179,7 @@ class Tallies(cv.CheckedList):
             Path to file to write. Defaults to 'tallies.xml'.
 
         """
-
-        root_element = ET.Element("tallies")
-        self._create_mesh_subelements(root_element)
-        self._create_filter_subelements(root_element)
-        self._create_tally_subelements(root_element)
-        self._create_derivative_subelements(root_element)
-
-        # Clean the indentation in the file to be user-readable
-        clean_indentation(root_element)
+        root_element = self.to_xml_element()
 
         # Check if path is a directory
         p = Path(path)

From ad746cb3e1d57c2fec163fbb4b8f87286bf72852 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 3 Nov 2022 19:09:15 -0500
Subject: [PATCH 1343/2654] Writing all main nodes to a single XML file

---
 openmc/material.py    | 62 +++++++++++++++++++++++++------------------
 openmc/model/model.py | 34 +++++++++++++++++-------
 openmc/settings.py    |  2 +-
 3 files changed, 62 insertions(+), 36 deletions(-)

diff --git a/openmc/material.py b/openmc/material.py
index 420a08521..af42e2e24 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -1449,6 +1449,41 @@ class Materials(cv.CheckedList):
         for material in self:
             material.make_isotropic_in_lab()
 
+    def _write_xml(self, file):
+        """Writes XML content of the materials to an open file handle.
+
+        Parameters
+        ----------
+        file : IOTextWrapper
+            Open file handle to write content into.
+        """
+        # Write the header and the opening tag for the root element.
+        file.write("<?xml version='1.0' encoding='utf-8'?>\n")
+        file.write('<materials>\n')
+
+        # Write the <cross_sections> element.
+        if self.cross_sections is not None:
+            element = ET.Element('cross_sections')
+            element.text = str(self.cross_sections)
+            clean_indentation(element, level=1)
+            element.tail = element.tail.strip(' ')
+            file.write('  ')
+            reorder_attributes(element)  # TODO: Remove when support is Python 3.8+
+            ET.ElementTree(element).write(file, encoding='unicode')
+
+        # Write the <material> elements.
+        for material in sorted(self, key=lambda x: x.id):
+            element = material.to_xml_element()
+            clean_indentation(element, level=1)
+            element.tail = element.tail.strip(' ')
+            file.write('  ')
+            reorder_attributes(element)  # TODO: Remove when support is Python 3.8+
+            ET.ElementTree(element).write(file, encoding='unicode')
+
+        # Write the closing tag for the root element.
+        file.write('</materials>\n')
+
+
     def export_to_xml(self, path: PathLike = 'materials.xml'):
         """Export material collection to an XML file.
 
@@ -1468,32 +1503,7 @@ class Materials(cv.CheckedList):
         # one go.
         with open(str(p), 'w', encoding='utf-8',
                   errors='xmlcharrefreplace') as fh:
-
-            # Write the header and the opening tag for the root element.
-            fh.write("<?xml version='1.0' encoding='utf-8'?>\n")
-            fh.write('<materials>\n')
-
-            # Write the <cross_sections> element.
-            if self.cross_sections is not None:
-                element = ET.Element('cross_sections')
-                element.text = str(self.cross_sections)
-                clean_indentation(element, level=1)
-                element.tail = element.tail.strip(' ')
-                fh.write('  ')
-                reorder_attributes(element)  # TODO: Remove when support is Python 3.8+
-                ET.ElementTree(element).write(fh, encoding='unicode')
-
-            # Write the <material> elements.
-            for material in sorted(self, key=lambda x: x.id):
-                element = material.to_xml_element()
-                clean_indentation(element, level=1)
-                element.tail = element.tail.strip(' ')
-                fh.write('  ')
-                reorder_attributes(element)  # TODO: Remove when support is Python 3.8+
-                ET.ElementTree(element).write(fh, encoding='unicode')
-
-            # Write the closing tag for the root element.
-            fh.write('</materials>\n')
+            self._write_xml(fh)
 
     @classmethod
     def from_xml(cls, path: PathLike = 'materials.xml'):
diff --git a/openmc/model/model.py b/openmc/model/model.py
index 98136b2d5..5a1b86a1f 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -5,11 +5,16 @@ import os
 from pathlib import Path
 from numbers import Integral
 from tempfile import NamedTemporaryFile
+<<<<<<< HEAD
 import warnings
+=======
+from xml.etree import ElementTree as ET
+>>>>>>> d42935a08 (Writing all main nodes to a single XML file)
 
 import h5py
 
 import openmc
+import openmc._xml as xml
 from openmc.dummy_comm import DummyCommunicator
 from openmc.executor import _process_CLI_arguments
 from openmc.checkvalue import check_type, check_value
@@ -404,7 +409,7 @@ class Model:
         Parameters
         ----------
         directory : str
-            Directory to write XML files to. If it doesn't exist already, it
+            Directory to write the model.xml file to. If it doesn't exist already, it
             will be created.
         remove_surfs : bool
             Whether or not to remove redundant surfaces from the geometry when
@@ -416,8 +421,8 @@ class Model:
         d = Path(directory)
         if not d.is_dir():
             d.mkdir(parents=True)
+        d /= 'model.xml'
 
-        self.settings.export_to_xml(d)
         if remove_surfs:
             warnings.warn("remove_surfs kwarg will be deprecated soon, please "
                           "set the Geometry.merge_surfaces attribute instead.")
@@ -425,22 +430,33 @@ class Model:
             # Can be used to modify tallies in case any surfaces are redundant
             redundant_surfaces = self.geometry.remove_redundant_surfaces()
 
-        self.geometry.export_to_xml(d)
+        settings_element = self.settings.to_xml_element()
+        geometry_element = self.geometry.to_xml_element()
 
         # If a materials collection was specified, export it. Otherwise, look
         # for all materials in the geometry and use that to automatically build
         # a collection.
         if self.materials:
-            self.materials.export_to_xml(d)
+            materials = self.materials
         else:
             materials = openmc.Materials(self.geometry.get_all_materials()
                                          .values())
-            materials.export_to_xml(d)
 
-        if self.tallies:
-            self.tallies.export_to_xml(d)
-        if self.plots:
-            self.plots.export_to_xml(d)
+        with open(d, 'w', encoding='utf-8',
+                  errors='xmlcharrefreplace') as fh:
+            # Write the materials collection to the open XML file first.
+            # This will write the XML header also
+            materials._write_xml(fh)
+            # Write remaining elements as a tree
+            ET.ElementTree(geometry_element).write(fh, encoding='unicode')
+            ET.ElementTree(settings_element).write(fh, encoding='unicode')
+
+            if self.tallies:
+                tallies_element = self.tallies.to_xml_element()
+                ET.ElementTree(tallies_element).write(fh, encoding='unicode')
+            if self.plots:
+                plots_element = self.plots.to_xml_element()
+                ET.ElementTree(plots_element).write(fh, encoding='unicode')
 
     def import_properties(self, filename):
         """Import physical properties
diff --git a/openmc/settings.py b/openmc/settings.py
index 29e19db2e..dd0041351 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -1595,7 +1595,7 @@ class Settings:
         clean_indentation(element)
 
         return element
-
+    
     def export_to_xml(self, path: PathLike = 'settings.xml'):
         """Export simulation settings to an XML file.
 

From a09a61e77b10416ad52613bb578e03d60af72ebf Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 3 Nov 2022 19:12:18 -0500
Subject: [PATCH 1344/2654] Writing all output under a single root node

---
 openmc/material.py    | 7 +++++--
 openmc/model/model.py | 6 +++++-
 2 files changed, 10 insertions(+), 3 deletions(-)

diff --git a/openmc/material.py b/openmc/material.py
index af42e2e24..9e3951ccf 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -1449,16 +1449,19 @@ class Materials(cv.CheckedList):
         for material in self:
             material.make_isotropic_in_lab()
 
-    def _write_xml(self, file):
+    def _write_xml(self, file, header=True):
         """Writes XML content of the materials to an open file handle.
 
         Parameters
         ----------
         file : IOTextWrapper
             Open file handle to write content into.
+        header : bool
+            Whether or not to write the XML header
         """
         # Write the header and the opening tag for the root element.
-        file.write("<?xml version='1.0' encoding='utf-8'?>\n")
+        if header:
+            file.write("<?xml version='1.0' encoding='utf-8'?>\n")
         file.write('<materials>\n')
 
         # Write the <cross_sections> element.
diff --git a/openmc/model/model.py b/openmc/model/model.py
index 5a1b86a1f..1af3bdffc 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -444,9 +444,12 @@ class Model:
 
         with open(d, 'w', encoding='utf-8',
                   errors='xmlcharrefreplace') as fh:
+            # write the XML header
+            fh.write("<?xml version='1.0' encoding='utf-8'?>\n")
+            fh.write("<model>\n")
             # Write the materials collection to the open XML file first.
             # This will write the XML header also
-            materials._write_xml(fh)
+            materials._write_xml(fh, False)
             # Write remaining elements as a tree
             ET.ElementTree(geometry_element).write(fh, encoding='unicode')
             ET.ElementTree(settings_element).write(fh, encoding='unicode')
@@ -457,6 +460,7 @@ class Model:
             if self.plots:
                 plots_element = self.plots.to_xml_element()
                 ET.ElementTree(plots_element).write(fh, encoding='unicode')
+            fh.write("</model>\n")
 
     def import_properties(self, filename):
         """Import physical properties

From 7a9d8c95afa53fca2a8d99cf48a6be13f1786107 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 3 Nov 2022 19:18:39 -0500
Subject: [PATCH 1345/2654] Keeping old option to write separate XMLs so I can
 still use to tests to make sure I don't break stuff.

---
 openmc/model/model.py | 61 ++++++++++++++++++++++++++++++++++++++++++-
 1 file changed, 60 insertions(+), 1 deletion(-)

diff --git a/openmc/model/model.py b/openmc/model/model.py
index 1af3bdffc..e3c4c4ae1 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -403,7 +403,66 @@ class Model:
                 depletion_operator.cleanup_when_done = True
                 depletion_operator.finalize()
 
-    def export_to_xml(self, directory='.', remove_surfs=False):
+    def export_to_xml(self, directory='.', remove_surfs=False, separate_xmls=True):
+        """Export model to separate XML files.
+
+        Parameters
+        ----------
+        directory : str
+            Directory to write XML files to. If it doesn't exist already, it
+            will be created.
+        remove_surfs : bool
+            Whether or not to remove redundant surfaces from the geometry when
+            exporting.
+
+            .. versionadded:: 0.13.1
+
+        separate_xmls : bool
+            Whether or not to write a single model.xml file or many XML files.
+        """
+        if separate_xmls:
+            self.export_to_separate_xmls(directory, remove_surfs)
+        else:
+            self.export_to_single_xml(directory, remove_surfs)
+
+    def export_to_separate_xmls(self, directory='.', remove_surfs=False):
+        """Export model to separate XML files.
+
+        Parameters
+        ----------
+        directory : str
+            Directory to write XML files to. If it doesn't exist already, it
+            will be created.
+        remove_surfs : bool
+            Whether or not to remove redundant surfaces from the geometry when
+            exporting.
+
+            .. versionadded:: 0.13.1
+        """
+        # Create directory if required
+        d = Path(directory)
+        if not d.is_dir():
+            d.mkdir(parents=True)
+
+        self.settings.export_to_xml(d)
+        self.geometry.export_to_xml(d, remove_surfs=remove_surfs)
+
+        # If a materials collection was specified, export it. Otherwise, look
+        # for all materials in the geometry and use that to automatically build
+        # a collection.
+        if self.materials:
+            self.materials.export_to_xml(d)
+        else:
+            materials = openmc.Materials(self.geometry.get_all_materials()
+                                         .values())
+            materials.export_to_xml(d)
+
+        if self.tallies:
+            self.tallies.export_to_xml(d)
+        if self.plots:
+            self.plots.export_to_xml(d)
+
+    def export_to_single_xml(self, directory='.', remove_surfs=False):
         """Export model to XML files.
 
         Parameters

From 040965245dc5a7476aa005829e7cb42f75a9233c Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 3 Nov 2022 20:10:22 -0500
Subject: [PATCH 1346/2654] Adding signatures for reading information from an
 XML node where necessary.

---
 include/openmc/cross_sections.h |  5 +++
 include/openmc/geometry_aux.h   |  6 ++++
 include/openmc/material.h       |  4 +++
 include/openmc/plot.h           |  4 +++
 include/openmc/settings.h       |  5 ++-
 include/openmc/tallies/tally.h  |  8 +++--
 src/cross_sections.cpp          |  8 +++--
 src/geometry_aux.cpp            |  8 +++--
 src/initialize.cpp              | 63 ++++++++++++++++++++++++++++++---
 src/material.cpp                |  9 +++--
 src/plot.cpp                    |  7 ++--
 src/settings.cpp                | 14 +++++---
 src/tallies/tally.cpp           |  8 +++--
 13 files changed, 127 insertions(+), 22 deletions(-)

diff --git a/include/openmc/cross_sections.h b/include/openmc/cross_sections.h
index 2b0473bec..06140a6a8 100644
--- a/include/openmc/cross_sections.h
+++ b/include/openmc/cross_sections.h
@@ -62,6 +62,11 @@ extern vector<Library> libraries;
 //! libraries
 void read_cross_sections_xml();
 
+//! Read cross sections file (either XML or multigroup H5) and populate data
+//! libraries
+//! \param[in] root node of the cross_sections.xml
+void read_cross_sections_xml(pugi::xml_node root);
+
 //! Load nuclide and thermal scattering data from HDF5 files
 //
 //! \param[in] nuc_temps Temperatures for each nuclide in [K]
diff --git a/include/openmc/geometry_aux.h b/include/openmc/geometry_aux.h
index b248d491a..a4c506c31 100644
--- a/include/openmc/geometry_aux.h
+++ b/include/openmc/geometry_aux.h
@@ -10,6 +10,7 @@
 #include <vector>
 
 #include "openmc/vector.h"
+#include "openmc/xml_interface.h"
 
 namespace openmc {
 
@@ -19,8 +20,13 @@ extern std::unordered_map<int32_t, std::unordered_map<int32_t, int32_t>>
 extern std::unordered_map<int32_t, int32_t> universe_level_counts;
 } // namespace model
 
+//! Read geometry from XML file
 void read_geometry_xml();
 
+//! Read geometry from XML node
+//! \param[in]  root node of geometry XML element
+void read_geometry_xml(pugi::xml_node root);
+
 //==============================================================================
 //! Replace Universe, Lattice, and Material IDs with indices.
 //==============================================================================
diff --git a/include/openmc/material.h b/include/openmc/material.h
index b251a3ca8..81f4e1421 100644
--- a/include/openmc/material.h
+++ b/include/openmc/material.h
@@ -221,6 +221,10 @@ double density_effect(const vector<double>& f, const vector<double>& e_b_sq,
 //! Read material data from materials.xml
 void read_materials_xml();
 
+//! Read material data XML node
+//! \param[in] root node of materials XML element
+void read_materials_xml(pugi::xml_node root);
+
 void free_memory_material();
 
 } // namespace openmc
diff --git a/include/openmc/plot.h b/include/openmc/plot.h
index 650b7e16a..a415b1747 100644
--- a/include/openmc/plot.h
+++ b/include/openmc/plot.h
@@ -279,6 +279,10 @@ void voxel_finalize(hid_t dspace, hid_t dset, hid_t memspace);
 //! Read plot specifications from a plots.xml file
 void read_plots_xml();
 
+//! Read plot specifications from an XML Node
+//! \param[in] XML node containing plot info
+void read_plots_xml(pugi::xml_node root);
+
 //! Clear memory
 void free_memory_plot();
 
diff --git a/include/openmc/settings.h b/include/openmc/settings.h
index 1e061b235..cd0ab477c 100644
--- a/include/openmc/settings.h
+++ b/include/openmc/settings.h
@@ -127,9 +127,12 @@ extern double weight_survive;      //!< Survival weight after Russian roulette
 //==============================================================================
 
 //! Read settings from XML file
-//! \param[in] root XML node for <settings>
 void read_settings_xml();
 
+//! Read settings from XML node
+//! \param[in] root XML node for <settings>
+void read_settings_xml(pugi::xml_node root);
+
 void free_memory_settings();
 
 } // namespace openmc
diff --git a/include/openmc/tallies/tally.h b/include/openmc/tallies/tally.h
index 3cead91dc..56a51370a 100644
--- a/include/openmc/tallies/tally.h
+++ b/include/openmc/tallies/tally.h
@@ -48,10 +48,10 @@ public:
   void set_nuclides(const vector<std::string>& nuclides);
 
   //! returns vector of indices corresponding to the tally this is called on
-  const vector<int32_t>& filters() const { return filters_; } 
+  const vector<int32_t>& filters() const { return filters_; }
 
   //! \brief Returns the tally filter at index i
-  int32_t filters(int i) const { return filters_[i]; } 
+  int32_t filters(int i) const { return filters_[i]; }
 
   void set_filters(gsl::span<Filter*> filters);
 
@@ -178,6 +178,10 @@ extern double global_tally_leakage;
 //! Read tally specification from tallies.xml
 void read_tallies_xml();
 
+//! Read tally specification from an XML node
+//! \param[in] root node of tallies XML element
+void read_tallies_xml(pugi::xml_node root);
+
 //! \brief Accumulate the sum of the contributions from each history within the
 //! batch to a new random variable
 void accumulate_tallies();
diff --git a/src/cross_sections.cpp b/src/cross_sections.cpp
index afb0a1f36..2094fd551 100644
--- a/src/cross_sections.cpp
+++ b/src/cross_sections.cpp
@@ -91,8 +91,7 @@ Library::Library(pugi::xml_node node, const std::string& directory)
 // Non-member functions
 //==============================================================================
 
-void read_cross_sections_xml()
-{
+void read_cross_sections_xml() {
   pugi::xml_document doc;
   std::string filename = settings::path_input + "materials.xml";
   // Check if materials.xml exists
@@ -104,6 +103,11 @@ void read_cross_sections_xml()
 
   auto root = doc.document_element();
 
+  read_cross_sections_xml(root);
+}
+
+void read_cross_sections_xml(pugi::xml_node root)
+{
   // Find cross_sections.xml file -- the first place to look is the
   // materials.xml file. If no file is found there, then we check the
   // OPENMC_CROSS_SECTIONS environment variable
diff --git a/src/geometry_aux.cpp b/src/geometry_aux.cpp
index 261471984..83e8494de 100644
--- a/src/geometry_aux.cpp
+++ b/src/geometry_aux.cpp
@@ -40,8 +40,7 @@ void update_universe_cell_count(int32_t a, int32_t b)
   }
 }
 
-void read_geometry_xml()
-{
+void read_geometry_xml() {
   // Display output message
   write_message("Reading geometry XML file...", 5);
 
@@ -61,6 +60,11 @@ void read_geometry_xml()
   // Get root element
   pugi::xml_node root = doc.document_element();
 
+  read_geometry_xml(root);
+}
+
+void read_geometry_xml(pugi::xml_node root)
+{
   // Read surfaces, cells, lattice
   read_surfaces(root);
   read_cells(root);
diff --git a/src/initialize.cpp b/src/initialize.cpp
index aa353aa9c..44f84034a 100644
--- a/src/initialize.cpp
+++ b/src/initialize.cpp
@@ -14,6 +14,7 @@
 #include "openmc/constants.h"
 #include "openmc/cross_sections.h"
 #include "openmc/error.h"
+#include "openmc/file_utils.h"
 #include "openmc/geometry_aux.h"
 #include "openmc/hdf5_interface.h"
 #include "openmc/material.h"
@@ -291,10 +292,53 @@ int parse_command_line(int argc, char* argv[])
 
 void read_input_xml()
 {
-  read_settings_xml();
+
+  // search for a single model.xml file
+    // Check if settings.xml exists
+  std::string model_filename = settings::path_input + "model.xml";
+  bool use_model_file = file_exists(model_filename);
+  pugi::xml_node model_root;
+  if (use_model_file) {
+    write_message("Found model.xml file.");
+    pugi::xml_document doc;
+    auto result = doc.load_file(model_filename.c_str());
+    if (!result) {
+      fatal_error("Error processing model.xml file.");
+    }
+    auto model_root = doc.document_element();
+
+    auto other_inputs = {"materials.xml", "geometry.xml", "settings.xml", "tallies.xml", "plots.xml"};
+    for (const auto& input : other_inputs) {
+      if (file_exists(settings::path_input + input)) {
+        warning(fmt::format("A '{}' file is also present. This file will be ignored.", input));
+      }
+    }
+  } else {
+    write_message("No model.xml found. Reading separate XML inputs...");
+  }
+  if (use_model_file) {
+    if (!check_for_node(model_root, "settings")) {
+      fatal_error("No <settings> node present in the model.xml file.");
+    }
+    read_settings_xml(model_root.child("settings"));
+  } else {
+    read_settings_xml();
+  }
+
   read_cross_sections_xml();
-  read_materials_xml();
-  read_geometry_xml();
+  if (use_model_file) {
+    if (!check_for_node(model_root, "materials")) {
+      fatal_error("No <materials> node present in the model.xml file.");
+    }
+    read_materials_xml(model_root.child("materials"));
+    if (!check_for_node(model_root, "geometry")) {
+      fatal_error("No <geometry> node present in the model.xml_file.");
+    }
+    read_geometry_xml(model_root.child("geometry"));
+  } else {
+    read_materials_xml();
+    read_geometry_xml();
+  }
 
   // Final geometry setup and assign temperatures
   finalize_geometry();
@@ -302,14 +346,23 @@ void read_input_xml()
   // Finalize cross sections having assigned temperatures
   finalize_cross_sections();
 
-  read_tallies_xml();
+  if (use_model_file && check_for_node(model_root, "tallies")) {
+    read_tallies_xml(model_root.child("tallies"));
+  } else {
+    read_tallies_xml();
+  }
 
   // Initialize distribcell_filters
   prepare_distribcell();
 
   // Read the plots.xml regardless of plot mode in case plots are requested
   // via the API
-  read_plots_xml();
+  if (use_model_file) {
+    if (check_for_node(model_root, "plots"))
+      read_plots_xml(model_root.child("plots"));
+  } else {
+    read_plots_xml();
+  }
   if (settings::run_mode == RunMode::PLOTTING) {
     // Read plots.xml if it exists
     if (mpi::master && settings::verbosity >= 5)
diff --git a/src/material.cpp b/src/material.cpp
index 30dfa5ed5..f2e23aede 100644
--- a/src/material.cpp
+++ b/src/material.cpp
@@ -1264,8 +1264,7 @@ double density_effect(const vector<double>& f, const vector<double>& e_b_sq,
   return delta - w_sq * (1.0 - beta_sq);
 }
 
-void read_materials_xml()
-{
+void read_materials_xml() {
   write_message("Reading materials XML file...", 5);
 
   pugi::xml_document doc;
@@ -1281,6 +1280,12 @@ void read_materials_xml()
 
   // Loop over XML material elements and populate the array.
   pugi::xml_node root = doc.document_element();
+
+  read_materials_xml(root);
+}
+
+void read_materials_xml(pugi::xml_node root)
+{
   for (pugi::xml_node material_node : root.children("material")) {
     model::materials.push_back(make_unique<Material>(material_node));
   }
diff --git a/src/plot.cpp b/src/plot.cpp
index b012ed131..e28543cdf 100644
--- a/src/plot.cpp
+++ b/src/plot.cpp
@@ -124,8 +124,7 @@ extern "C" int openmc_plot_geometry()
   return 0;
 }
 
-void read_plots_xml()
-{
+void read_plots_xml() {
   // Check if plots.xml exists; this is only necessary when the plot runmode is
   // initiated. Otherwise, we want to read plots.xml because it may be called
   // later via the API. In that case, its ok for a plots.xml to not exist
@@ -141,6 +140,10 @@ void read_plots_xml()
   doc.load_file(filename.c_str());
 
   pugi::xml_node root = doc.document_element();
+}
+
+void read_plots_xml(pugi::xml_node root)
+{
   for (auto node : root.children("plot")) {
     model::plots.emplace_back(node);
     model::plot_map[model::plots.back().id_] = model::plots.size() - 1;
diff --git a/src/settings.cpp b/src/settings.cpp
index eb0d4936c..710fb2810 100644
--- a/src/settings.cpp
+++ b/src/settings.cpp
@@ -211,13 +211,11 @@ void get_run_parameters(pugi::xml_node node_base)
   }
 }
 
-void read_settings_xml()
-{
+void read_settings_xml() {
   using namespace settings;
   using namespace pugi;
-
   // Check if settings.xml exists
-  std::string filename = path_input + "settings.xml";
+  std::string filename = settings::path_input + "settings.xml";
   if (!file_exists(filename)) {
     if (run_mode != RunMode::PLOTTING) {
       fatal_error(
@@ -245,6 +243,14 @@ void read_settings_xml()
   // Get root element
   xml_node root = doc.document_element();
 
+  read_settings_xml(root);
+}
+
+void read_settings_xml(pugi::xml_node root)
+{
+  using namespace settings;
+  using namespace pugi;
+
   // Verbosity
   if (check_for_node(root, "verbosity")) {
     verbosity = std::stoi(get_node_value(root, "verbosity"));
diff --git a/src/tallies/tally.cpp b/src/tallies/tally.cpp
index 51194684a..1c1f274d7 100644
--- a/src/tallies/tally.cpp
+++ b/src/tallies/tally.cpp
@@ -705,8 +705,7 @@ std::string Tally::nuclide_name(int nuclide_idx) const
 // Non-member functions
 //==============================================================================
 
-void read_tallies_xml()
-{
+void read_tallies_xml() {
   // Check if tallies.xml exists. If not, just return since it is optional
   std::string filename = settings::path_input + "tallies.xml";
   if (!file_exists(filename))
@@ -719,6 +718,11 @@ void read_tallies_xml()
   doc.load_file(filename.c_str());
   pugi::xml_node root = doc.document_element();
 
+  read_tallies_xml(root);
+}
+
+void read_tallies_xml(pugi::xml_node root)
+{
   // Check for <assume_separate> setting
   if (check_for_node(root, "assume_separate")) {
     settings::assume_separate = get_node_value_bool(root, "assume_separate");

From cdd2a6b1cacb54387de050e96c36bca74c114777 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 3 Nov 2022 20:43:29 -0500
Subject: [PATCH 1347/2654] Correcting doc scope and some reads

---
 src/initialize.cpp | 10 ++++++----
 src/settings.cpp   |  2 ++
 2 files changed, 8 insertions(+), 4 deletions(-)

diff --git a/src/initialize.cpp b/src/initialize.cpp
index 44f84034a..cb35ebce9 100644
--- a/src/initialize.cpp
+++ b/src/initialize.cpp
@@ -298,14 +298,14 @@ void read_input_xml()
   std::string model_filename = settings::path_input + "model.xml";
   bool use_model_file = file_exists(model_filename);
   pugi::xml_node model_root;
+  pugi::xml_document doc;
   if (use_model_file) {
-    write_message("Found model.xml file.");
-    pugi::xml_document doc;
+    write_message("Reading model.xml...");
     auto result = doc.load_file(model_filename.c_str());
     if (!result) {
       fatal_error("Error processing model.xml file.");
     }
-    auto model_root = doc.document_element();
+    model_root = doc.document_element();
 
     auto other_inputs = {"materials.xml", "geometry.xml", "settings.xml", "tallies.xml", "plots.xml"};
     for (const auto& input : other_inputs) {
@@ -320,12 +320,14 @@ void read_input_xml()
     if (!check_for_node(model_root, "settings")) {
       fatal_error("No <settings> node present in the model.xml file.");
     }
-    read_settings_xml(model_root.child("settings"));
+    auto settings_root = model_root.child("settings");
+    read_settings_xml();
   } else {
     read_settings_xml();
   }
 
   read_cross_sections_xml();
+
   if (use_model_file) {
     if (!check_for_node(model_root, "materials")) {
       fatal_error("No <materials> node present in the model.xml file.");
diff --git a/src/settings.cpp b/src/settings.cpp
index 710fb2810..de24e200a 100644
--- a/src/settings.cpp
+++ b/src/settings.cpp
@@ -266,6 +266,7 @@ void read_settings_xml(pugi::xml_node root)
 
   // Find if a multi-group or continuous-energy simulation is desired
   if (check_for_node(root, "energy_mode")) {
+  std::cout << "Here" << std::endl;
     std::string temp_str = get_node_value(root, "energy_mode", true, true);
     if (temp_str == "mg" || temp_str == "multi-group") {
       run_CE = false;
@@ -273,6 +274,7 @@ void read_settings_xml(pugi::xml_node root)
       run_CE = true;
     }
   }
+  std::cout << "Here" << std::endl;
 
   // Look for deprecated cross_sections.xml file in settings.xml
   if (check_for_node(root, "cross_sections")) {

From bec9bf6f20805e12134e798aca98b90dd8e71d23 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 3 Nov 2022 21:18:04 -0500
Subject: [PATCH 1348/2654] Refactoring model read into it's own function.

---
 include/openmc/initialize.h |   1 +
 src/initialize.cpp          | 148 +++++++++++++++++++++++-------------
 src/settings.cpp            |  19 +++--
 3 files changed, 106 insertions(+), 62 deletions(-)

diff --git a/include/openmc/initialize.h b/include/openmc/initialize.h
index 869be4441..47474c986 100644
--- a/include/openmc/initialize.h
+++ b/include/openmc/initialize.h
@@ -11,6 +11,7 @@ int parse_command_line(int argc, char* argv[]);
 #ifdef OPENMC_MPI
 void initialize_mpi(MPI_Comm intracomm);
 #endif
+bool read_model_xml();
 void read_input_xml();
 
 } // namespace openmc
diff --git a/src/initialize.cpp b/src/initialize.cpp
index cb35ebce9..254ad88da 100644
--- a/src/initialize.cpp
+++ b/src/initialize.cpp
@@ -290,81 +290,125 @@ int parse_command_line(int argc, char* argv[])
   return 0;
 }
 
-void read_input_xml()
-{
-
-  // search for a single model.xml file
-    // Check if settings.xml exists
+bool read_model_xml() {
+  // get verbosity from settings node
   std::string model_filename = settings::path_input + "model.xml";
   bool use_model_file = file_exists(model_filename);
-  pugi::xml_node model_root;
+  if (!file_exists(model_filename)) return false;
+
+  // attempt to open the document
   pugi::xml_document doc;
-  if (use_model_file) {
-    write_message("Reading model.xml...");
-    auto result = doc.load_file(model_filename.c_str());
-    if (!result) {
-      fatal_error("Error processing model.xml file.");
-    }
-    model_root = doc.document_element();
-
-    auto other_inputs = {"materials.xml", "geometry.xml", "settings.xml", "tallies.xml", "plots.xml"};
-    for (const auto& input : other_inputs) {
-      if (file_exists(settings::path_input + input)) {
-        warning(fmt::format("A '{}' file is also present. This file will be ignored.", input));
-      }
-    }
-  } else {
-    write_message("No model.xml found. Reading separate XML inputs...");
+  auto result = doc.load_file(model_filename.c_str());
+  if (!result) {
+    fatal_error("Error processing model.xml file.");
   }
-  if (use_model_file) {
-    if (!check_for_node(model_root, "settings")) {
+  pugi::xml_node root = doc.document_element();
+
+  // Read settings
+  if (!check_for_node(root, "settings")) {
       fatal_error("No <settings> node present in the model.xml file.");
-    }
-    auto settings_root = model_root.child("settings");
-    read_settings_xml();
-  } else {
-    read_settings_xml();
+  }
+  auto settings_root = root.child("settings");
+
+  // Verbosity
+  if (check_for_node(settings_root, "verbosity")) {
+    settings::verbosity = std::stoi(get_node_value(settings_root, "verbosity"));
   }
 
-  read_cross_sections_xml();
-
-  if (use_model_file) {
-    if (!check_for_node(model_root, "materials")) {
-      fatal_error("No <materials> node present in the model.xml file.");
-    }
-    read_materials_xml(model_root.child("materials"));
-    if (!check_for_node(model_root, "geometry")) {
-      fatal_error("No <geometry> node present in the model.xml_file.");
-    }
-    read_geometry_xml(model_root.child("geometry"));
-  } else {
-    read_materials_xml();
-    read_geometry_xml();
+  // To this point, we haven't displayed any output since we didn't know what
+  // the verbosity is. Now that we checked for it, show the title if necessary
+  if (mpi::master) {
+    if (settings::verbosity >= 2)
+      title();
   }
 
+  write_message("Reading model XML file...", 5);
+
+  read_settings_xml(settings_root);
+
+  // If other XML files are present, display warning
+  // that they will be ignored
+  auto other_inputs = {"materials.xml", "geometry.xml", "settings.xml", "tallies.xml", "plots.xml"};
+  for (const auto& input : other_inputs) {
+    if (file_exists(settings::path_input + input)) {
+      warning(("Other XML file input(s) are present. These file will be ignored in favor of the model.xml file."));
+      break;
+    }
+  }
+
+  // Read materials and cross sections
+  if (!check_for_node(root, "materials")) {
+    fatal_error("No <materials> node present in the model.xml file.");
+  }
+  auto materials_node = root.child("materials");
+  read_cross_sections_xml(materials_node);
+  read_materials_xml(root.child("materials"));
+
+  // Read geometry
+  if (!check_for_node(root, "geometry")) {
+    fatal_error("No <geometry> node present in the model.xml_file.");
+  }
+  read_geometry_xml(root.child("geometry"));
+
   // Final geometry setup and assign temperatures
   finalize_geometry();
 
   // Finalize cross sections having assigned temperatures
   finalize_cross_sections();
 
-  if (use_model_file && check_for_node(model_root, "tallies")) {
-    read_tallies_xml(model_root.child("tallies"));
+  if (check_for_node(root, "tallies"))
+    read_tallies_xml(root.child("tallies"));
+
+ // Initialize distribcell_filters
+  prepare_distribcell();
+
+  if (check_for_node(root, "plots"))
+    read_plots_xml(root.child("plots"));
+
+  if (settings::run_mode == RunMode::PLOTTING) {
+    // Read plots.xml if it exists
+    if (mpi::master && settings::verbosity >= 5)
+      print_plot();
+
   } else {
-    read_tallies_xml();
+    // Write summary information
+    if (mpi::master && settings::output_summary)
+      write_summary();
+
+    // Warn if overlap checking is on
+    if (mpi::master && settings::check_overlaps) {
+      warning("Cell overlap checking is ON.");
+    }
   }
 
+  return true;
+}
+
+void read_input_xml()
+{
+  // attempt to reach the model.xml file if present
+  if (read_model_xml()) return;
+
+  read_settings_xml();
+  read_cross_sections_xml();
+  read_materials_xml();
+  read_geometry_xml();
+
+  // Final geometry setup and assign temperatures
+  finalize_geometry();
+
+  // Finalize cross sections having assigned temperatures
+  finalize_cross_sections();
+
+  read_tallies_xml();
+
   // Initialize distribcell_filters
   prepare_distribcell();
 
   // Read the plots.xml regardless of plot mode in case plots are requested
   // via the API
-  if (use_model_file) {
-    if (check_for_node(model_root, "plots"))
-      read_plots_xml(model_root.child("plots"));
-  } else {
-    read_plots_xml();
-  }
+  read_plots_xml();
+
   if (settings::run_mode == RunMode::PLOTTING) {
     // Read plots.xml if it exists
     if (mpi::master && settings::verbosity >= 5)
diff --git a/src/settings.cpp b/src/settings.cpp
index de24e200a..3048862e3 100644
--- a/src/settings.cpp
+++ b/src/settings.cpp
@@ -243,14 +243,6 @@ void read_settings_xml() {
   // Get root element
   xml_node root = doc.document_element();
 
-  read_settings_xml(root);
-}
-
-void read_settings_xml(pugi::xml_node root)
-{
-  using namespace settings;
-  using namespace pugi;
-
   // Verbosity
   if (check_for_node(root, "verbosity")) {
     verbosity = std::stoi(get_node_value(root, "verbosity"));
@@ -262,11 +254,19 @@ void read_settings_xml(pugi::xml_node root)
     if (verbosity >= 2)
       title();
   }
+
   write_message("Reading settings XML file...", 5);
 
+  read_settings_xml(root);
+}
+
+void read_settings_xml(pugi::xml_node root)
+{
+  using namespace settings;
+  using namespace pugi;
+
   // Find if a multi-group or continuous-energy simulation is desired
   if (check_for_node(root, "energy_mode")) {
-  std::cout << "Here" << std::endl;
     std::string temp_str = get_node_value(root, "energy_mode", true, true);
     if (temp_str == "mg" || temp_str == "multi-group") {
       run_CE = false;
@@ -274,7 +274,6 @@ void read_settings_xml(pugi::xml_node root)
       run_CE = true;
     }
   }
-  std::cout << "Here" << std::endl;
 
   // Look for deprecated cross_sections.xml file in settings.xml
   if (check_for_node(root, "cross_sections")) {

From 81aa653d506bf3e9f9288679c8e92a6f21b6ad46 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 3 Nov 2022 21:22:41 -0500
Subject: [PATCH 1349/2654] Factoring out some common lines between reader
 functions

---
 include/openmc/initialize.h |  1 +
 src/initialize.cpp          | 22 ++++++----------------
 2 files changed, 7 insertions(+), 16 deletions(-)

diff --git a/include/openmc/initialize.h b/include/openmc/initialize.h
index 47474c986..d3d12d45d 100644
--- a/include/openmc/initialize.h
+++ b/include/openmc/initialize.h
@@ -13,6 +13,7 @@ void initialize_mpi(MPI_Comm intracomm);
 #endif
 bool read_model_xml();
 void read_input_xml();
+void initial_output();
 
 } // namespace openmc
 
diff --git a/src/initialize.cpp b/src/initialize.cpp
index 254ad88da..aa3e15efa 100644
--- a/src/initialize.cpp
+++ b/src/initialize.cpp
@@ -108,6 +108,9 @@ int openmc_init(int argc, char* argv[], const void* intracomm)
   // Read XML input files
   read_input_xml();
 
+  // Write some initial output under the header if needed
+  initial_output();
+
   // Check for particle restart run
   if (settings::particle_restart_run)
     settings::run_mode = RunMode::PARTICLE;
@@ -365,22 +368,6 @@ bool read_model_xml() {
   if (check_for_node(root, "plots"))
     read_plots_xml(root.child("plots"));
 
-  if (settings::run_mode == RunMode::PLOTTING) {
-    // Read plots.xml if it exists
-    if (mpi::master && settings::verbosity >= 5)
-      print_plot();
-
-  } else {
-    // Write summary information
-    if (mpi::master && settings::output_summary)
-      write_summary();
-
-    // Warn if overlap checking is on
-    if (mpi::master && settings::check_overlaps) {
-      warning("Cell overlap checking is ON.");
-    }
-  }
-
   return true;
 }
 
@@ -408,7 +395,10 @@ void read_input_xml()
   // Read the plots.xml regardless of plot mode in case plots are requested
   // via the API
   read_plots_xml();
+}
 
+void initial_output() {
+  // handle some final output
   if (settings::run_mode == RunMode::PLOTTING) {
     // Read plots.xml if it exists
     if (mpi::master && settings::verbosity >= 5)

From 9391f17cff9a798c048ec62b9eed3a9188baa534 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 3 Nov 2022 22:29:36 -0500
Subject: [PATCH 1350/2654] Adding import for single or multiple XMLs

---
 openmc/geometry.py    |  46 +++++++++++-----
 openmc/material.py    |  40 ++++++++++----
 openmc/model/model.py |  37 ++++++++++++-
 openmc/plots.py       |  28 ++++++++--
 openmc/settings.py    | 119 ++++++++++++++++++++++++------------------
 openmc/tallies.py     |  72 +++++++++++++++----------
 6 files changed, 232 insertions(+), 110 deletions(-)

diff --git a/openmc/geometry.py b/openmc/geometry.py
index 889cb6b31..b4f8046bd 100644
--- a/openmc/geometry.py
+++ b/openmc/geometry.py
@@ -162,13 +162,13 @@ class Geometry:
         tree.write(str(p), xml_declaration=True, encoding='utf-8')
 
     @classmethod
-    def from_xml(cls, path='geometry.xml', materials=None):
-        """Generate geometry from XML file
+    def from_xml_element(cls, elem, materials=None):
+        """Generate geometry from an XML element
 
         Parameters
         ----------
-        path : str, optional
-            Path to geometry XML file
+        elem : xml.etree.ElementTree.Element
+            XML element
         materials : openmc.Materials or None
             Materials used to assign to cells. If None, an attempt is made to
             generate it from the materials.xml file.
@@ -187,13 +187,10 @@ class Geometry:
                 universes[univ_id] = univ
             return universes[univ_id]
 
-        tree = ET.parse(path)
-        root = tree.getroot()
-
         # Get surfaces
         surfaces = {}
         periodic = {}
-        for surface in root.findall('surface'):
+        for surface in elem.findall('surface'):
             s = openmc.Surface.from_xml_element(surface)
             surfaces[s.id] = s
 
@@ -207,15 +204,15 @@ class Geometry:
             surfaces[s1].periodic_surface = surfaces[s2]
 
         # Add any DAGMC universes
-        for elem in root.findall('dagmc_universe'):
+        for elem in elem.findall('dagmc_universe'):
             dag_univ = openmc.DAGMCUniverse.from_xml_element(elem)
             universes[dag_univ.id] = dag_univ
 
         # Dictionary that maps each universe to a list of cells/lattices that
-        # contain it (needed to determine which universe is the root)
+        # contain it (needed to determine which universe is the elem)
         child_of = defaultdict(list)
 
-        for elem in root.findall('lattice'):
+        for elem in elem.findall('lattice'):
             lat = openmc.RectLattice.from_xml_element(elem, get_universe)
             universes[lat.id] = lat
             if lat.outer is not None:
@@ -223,7 +220,7 @@ class Geometry:
             for u in lat.universes.ravel():
                 child_of[u].append(lat)
 
-        for elem in root.findall('hex_lattice'):
+        for elem in elem.findall('hex_lattice'):
             lat = openmc.HexLattice.from_xml_element(elem, get_universe)
             universes[lat.id] = lat
             if lat.outer is not None:
@@ -245,7 +242,7 @@ class Geometry:
         mats = {str(m.id): m for m in materials}
         mats['void'] = None
 
-        for elem in root.findall('cell'):
+        for elem in elem.findall('cell'):
             c = openmc.Cell.from_xml_element(elem, surfaces, mats, get_universe)
             if c.fill_type in ('universe', 'lattice'):
                 child_of[c.fill].append(c)
@@ -258,6 +255,29 @@ class Geometry:
         else:
             raise ValueError('Error determining root universe.')
 
+    @classmethod
+    def from_xml(cls, path='geometry.xml', materials=None):
+        """Generate geometry from XML file
+
+        Parameters
+        ----------
+        path : str, optional
+            Path to geometry XML file
+        materials : openmc.Materials or None
+            Materials used to assign to cells. If None, an attempt is made to
+            generate it from the materials.xml file.
+
+        Returns
+        -------
+        openmc.Geometry
+            Geometry object
+
+        """
+        tree = ET.parse(path)
+        root = tree.getroot()
+
+        return cls.from_xml_element(root, materials)
+
     def find(self, point):
         """Find cells/universes/lattices which contain a given point
 
diff --git a/openmc/material.py b/openmc/material.py
index 9e3951ccf..c33596800 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -1508,6 +1508,34 @@ class Materials(cv.CheckedList):
                   errors='xmlcharrefreplace') as fh:
             self._write_xml(fh)
 
+    @classmethod
+    def from_xml_element(cls, elem):
+        """Generate materials collection from XML file
+
+        Parameters
+        ----------
+        elem : xml.etree.ElementTree.Element
+            XML element
+
+        Returns
+        -------
+        openmc.Materials
+            Materials collection
+
+        """
+        # Generate each material
+        materials = cls()
+        for material in elem.findall('material'):
+            materials.append(Material.from_xml_element(material))
+
+        # Check for cross sections settings
+        xs = elem.find('cross_sections')
+        if xs is not None:
+            materials.cross_sections = xs.text
+
+        return materials
+
+
     @classmethod
     def from_xml(cls, path: PathLike = 'materials.xml'):
         """Generate materials collection from XML file
@@ -1526,14 +1554,4 @@ class Materials(cv.CheckedList):
         tree = ET.parse(path)
         root = tree.getroot()
 
-        # Generate each material
-        materials = cls()
-        for material in root.findall('material'):
-            materials.append(Material.from_xml_element(material))
-
-        # Check for cross sections settings
-        xs = tree.find('cross_sections')
-        if xs is not None:
-            materials.cross_sections = xs.text
-
-        return materials
+        return cls.from_xml_element(root)
\ No newline at end of file
diff --git a/openmc/model/model.py b/openmc/model/model.py
index e3c4c4ae1..2193084c3 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -208,7 +208,42 @@ class Model:
                 self._plots.append(plot)
 
     @classmethod
-    def from_xml(cls, geometry='geometry.xml', materials='materials.xml',
+    def from_xml(cls, separate_xmls=True, **kwargs):
+        if separate_xmls:
+            return cls.from_separate_xmls(**kwargs)
+        else:
+            return cls.from_model_xml(**kwargs)
+
+    @classmethod
+    def from_model_xml(cls, path='model.xml'):
+        """Create model from single XML file
+
+        Parameters
+        ----------
+        path : str or Pathlike
+            Path to model.xml file
+        """
+        tree = ET.parse(path)
+        root = tree.getroot()
+
+        model = cls()
+
+        model.settings = openmc.Settings.from_xml_element(root.find('settings'))
+        model.materials = openmc.Materials.from_xml_element(root.find('materials'))
+        model.geometry = \
+        openmc.Geometry.from_xml_element(root.find('geometry'), model.materials)
+
+        if tally_node := root.find('tallies'):
+            print(tally_node)
+            model.tallies = openmc.Tallies.from_xml_element(tally_node)
+
+        if plots_node := root.find('plots'):
+            model.plots = openmc.Plots.from_xml_element(plots_node)
+
+        return model
+
+    @classmethod
+    def from_separate_xmls(cls, geometry='geometry.xml', materials='materials.xml',
                  settings='settings.xml', tallies='tallies.xml',
                  plots='plots.xml'):
         """Create model from existing XML files
diff --git a/openmc/plots.py b/openmc/plots.py
index 52dcf3fc1..badea2e58 100644
--- a/openmc/plots.py
+++ b/openmc/plots.py
@@ -941,6 +941,27 @@ class Plots(cv.CheckedList):
         tree = ET.ElementTree(self._plots_file)
         tree.write(str(p), xml_declaration=True, encoding='utf-8')
 
+    @classmethod
+    def from_xml_element(cls, elem):
+        """Generate plots collection from XML file
+
+        Parameters
+        ----------
+        elem : xml.etree.ElementTree.Element
+            XML element
+
+        Returns
+        -------
+        openmc.Plots
+            Plots collection
+
+        """
+        # Generate each plot
+        plots = cls()
+        for elem in elem.findall('plot'):
+            plots.append(Plot.from_xml_element(elem))
+        return plots
+
     @classmethod
     def from_xml(cls, path='plots.xml'):
         """Generate plots collection from XML file
@@ -958,9 +979,6 @@ class Plots(cv.CheckedList):
         """
         tree = ET.parse(path)
         root = tree.getroot()
+        return cls.from_xml_element(root)
+
 
-        # Generate each plot
-        plots = cls()
-        for elem in root.findall('plot'):
-            plots.append(Plot.from_xml_element(elem))
-        return plots
diff --git a/openmc/settings.py b/openmc/settings.py
index dd0041351..c2fca98f7 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -1595,7 +1595,7 @@ class Settings:
         clean_indentation(element)
 
         return element
-    
+
     def export_to_xml(self, path: PathLike = 'settings.xml'):
         """Export simulation settings to an XML file.
 
@@ -1617,6 +1617,71 @@ class Settings:
         tree = ET.ElementTree(root_element)
         tree.write(str(p), xml_declaration=True, encoding='utf-8')
 
+    @classmethod
+    def from_xml_element(cls, elem):
+        """Generate settings from XML element
+
+        Parameters
+        ----------
+        elem : xml.etree.ElementTree.Element
+            XML element
+
+        Returns
+        -------
+        openmc.Settings
+            Settings object
+
+        """
+        settings = cls()
+        settings._eigenvalue_from_xml_element(elem)
+        settings._run_mode_from_xml_element(elem)
+        settings._particles_from_xml_element(elem)
+        settings._batches_from_xml_element(elem)
+        settings._inactive_from_xml_element(elem)
+        settings._max_lost_particles_from_xml_element(elem)
+        settings._rel_max_lost_particles_from_xml_element(elem)
+        settings._generations_per_batch_from_xml_element(elem)
+        settings._keff_trigger_from_xml_element(elem)
+        settings._source_from_xml_element(elem)
+        settings._volume_calcs_from_xml_element(elem)
+        settings._output_from_xml_element(elem)
+        settings._statepoint_from_xml_element(elem)
+        settings._sourcepoint_from_xml_element(elem)
+        settings._surf_source_read_from_xml_element(elem)
+        settings._surf_source_write_from_xml_element(elem)
+        settings._confidence_intervals_from_xml_element(elem)
+        settings._electron_treatment_from_xml_element(elem)
+        settings._energy_mode_from_xml_element(elem)
+        settings._max_order_from_xml_element(elem)
+        settings._photon_transport_from_xml_element(elem)
+        settings._ptables_from_xml_element(elem)
+        settings._seed_from_xml_element(elem)
+        settings._survival_biasing_from_xml_element(elem)
+        settings._cutoff_from_xml_element(elem)
+        settings._entropy_mesh_from_xml_element(elem)
+        settings._trigger_from_xml_element(elem)
+        settings._no_reduce_from_xml_element(elem)
+        settings._verbosity_from_xml_element(elem)
+        settings._tabular_legendre_from_xml_element(elem)
+        settings._temperature_from_xml_element(elem)
+        settings._trace_from_xml_element(elem)
+        settings._track_from_xml_element(elem)
+        settings._ufs_mesh_from_xml_element(elem)
+        settings._resonance_scattering_from_xml_element(elem)
+        settings._create_fission_neutrons_from_xml_element(elem)
+        settings._delayed_photon_scaling_from_xml_element(elem)
+        settings._event_based_from_xml_element(elem)
+        settings._max_particles_in_flight_from_xml_element(elem)
+        settings._material_cell_offsets_from_xml_element(elem)
+        settings._log_grid_bins_from_xml_element(elem)
+        settings._write_initial_source_from_xml_element(elem)
+        settings._weight_windows_from_xml_element(elem)
+        settings._max_splits_from_xml_element(elem)
+        settings._max_tracks_from_xml_element(elem)
+
+        # TODO: Get volume calculations
+        return settings
+
     @classmethod
     def from_xml(cls, path: PathLike = 'settings.xml'):
         """Generate settings from XML file
@@ -1636,54 +1701,4 @@ class Settings:
         """
         tree = ET.parse(path)
         root = tree.getroot()
-
-        settings = cls()
-        settings._eigenvalue_from_xml_element(root)
-        settings._run_mode_from_xml_element(root)
-        settings._particles_from_xml_element(root)
-        settings._batches_from_xml_element(root)
-        settings._inactive_from_xml_element(root)
-        settings._max_lost_particles_from_xml_element(root)
-        settings._rel_max_lost_particles_from_xml_element(root)
-        settings._generations_per_batch_from_xml_element(root)
-        settings._keff_trigger_from_xml_element(root)
-        settings._source_from_xml_element(root)
-        settings._volume_calcs_from_xml_element(root)
-        settings._output_from_xml_element(root)
-        settings._statepoint_from_xml_element(root)
-        settings._sourcepoint_from_xml_element(root)
-        settings._surf_source_read_from_xml_element(root)
-        settings._surf_source_write_from_xml_element(root)
-        settings._confidence_intervals_from_xml_element(root)
-        settings._electron_treatment_from_xml_element(root)
-        settings._energy_mode_from_xml_element(root)
-        settings._max_order_from_xml_element(root)
-        settings._photon_transport_from_xml_element(root)
-        settings._ptables_from_xml_element(root)
-        settings._seed_from_xml_element(root)
-        settings._survival_biasing_from_xml_element(root)
-        settings._cutoff_from_xml_element(root)
-        settings._entropy_mesh_from_xml_element(root)
-        settings._trigger_from_xml_element(root)
-        settings._no_reduce_from_xml_element(root)
-        settings._verbosity_from_xml_element(root)
-        settings._tabular_legendre_from_xml_element(root)
-        settings._temperature_from_xml_element(root)
-        settings._trace_from_xml_element(root)
-        settings._track_from_xml_element(root)
-        settings._ufs_mesh_from_xml_element(root)
-        settings._resonance_scattering_from_xml_element(root)
-        settings._create_fission_neutrons_from_xml_element(root)
-        settings._delayed_photon_scaling_from_xml_element(root)
-        settings._event_based_from_xml_element(root)
-        settings._max_particles_in_flight_from_xml_element(root)
-        settings._material_cell_offsets_from_xml_element(root)
-        settings._log_grid_bins_from_xml_element(root)
-        settings._write_initial_source_from_xml_element(root)
-        settings._weight_windows_from_xml_element(root)
-        settings._max_splits_from_xml_element(root)
-        settings._max_tracks_from_xml_element(root)
-
-        # TODO: Get volume calculations
-
-        return settings
+        return cls.from_xml_element(root)
diff --git a/openmc/tallies.py b/openmc/tallies.py
index dfb0c98bf..0355568ec 100644
--- a/openmc/tallies.py
+++ b/openmc/tallies.py
@@ -3191,6 +3191,49 @@ class Tallies(cv.CheckedList):
         tree = ET.ElementTree(root_element)
         tree.write(str(p), xml_declaration=True, encoding='utf-8')
 
+    @classmethod
+    def from_xml_element(cls, elem):
+        """Generate tallies from an XML element
+
+        Parameters
+        ----------
+        elem : xml.etree.ElementTree.Element
+            XML element
+
+        Returns
+        -------
+        openmc.Tallies
+            Tallies object
+
+        """
+        # Read mesh elements
+        meshes = {}
+        for elem in elem.findall('mesh'):
+            mesh = MeshBase.from_xml_element(elem)
+            meshes[mesh.id] = mesh
+
+        # Read filter elements
+        filters = {}
+        for elem in elem.findall('filter'):
+            filter = openmc.Filter.from_xml_element(elem, meshes=meshes)
+            filters[filter.id] = filter
+
+        # Read derivative elements
+        derivatives = {}
+        for elem in elem.findall('derivative'):
+            deriv = openmc.TallyDerivative.from_xml_element(elem)
+            derivatives[deriv.id] = deriv
+
+        # Read tally elements
+        tallies = []
+        for elem in elem.findall('tally'):
+            tally = openmc.Tally.from_xml_element(
+                elem, filters=filters, derivatives=derivatives
+            )
+            tallies.append(tally)
+
+        return cls(tallies)
+
     @classmethod
     def from_xml(cls, path='tallies.xml'):
         """Generate tallies from XML file
@@ -3208,31 +3251,4 @@ class Tallies(cv.CheckedList):
         """
         tree = ET.parse(path)
         root = tree.getroot()
-
-        # Read mesh elements
-        meshes = {}
-        for elem in root.findall('mesh'):
-            mesh = MeshBase.from_xml_element(elem)
-            meshes[mesh.id] = mesh
-
-        # Read filter elements
-        filters = {}
-        for elem in root.findall('filter'):
-            filter = openmc.Filter.from_xml_element(elem, meshes=meshes)
-            filters[filter.id] = filter
-
-        # Read derivative elements
-        derivatives = {}
-        for elem in root.findall('derivative'):
-            deriv = openmc.TallyDerivative.from_xml_element(elem)
-            derivatives[deriv.id] = deriv
-
-        # Read tally elements
-        tallies = []
-        for elem in root.findall('tally'):
-            tally = openmc.Tally.from_xml_element(
-                elem, filters=filters, derivatives=derivatives
-            )
-            tallies.append(tally)
-
-        return cls(tallies)
+        return cls.from_xml_element(root)

From af6b0af1e3ab2fc84224a12e55928cc0030a27d4 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 3 Nov 2022 22:41:28 -0500
Subject: [PATCH 1351/2654] Fix loop variable overwrite

---
 openmc/tallies.py | 16 ++++++++--------
 1 file changed, 8 insertions(+), 8 deletions(-)

diff --git a/openmc/tallies.py b/openmc/tallies.py
index 0355568ec..2996f1b03 100644
--- a/openmc/tallies.py
+++ b/openmc/tallies.py
@@ -3208,27 +3208,27 @@ class Tallies(cv.CheckedList):
         """
         # Read mesh elements
         meshes = {}
-        for elem in elem.findall('mesh'):
-            mesh = MeshBase.from_xml_element(elem)
+        for e in elem.findall('mesh'):
+            mesh = MeshBase.from_xml_element(e)
             meshes[mesh.id] = mesh
 
         # Read filter elements
         filters = {}
-        for elem in elem.findall('filter'):
-            filter = openmc.Filter.from_xml_element(elem, meshes=meshes)
+        for e in elem.findall('filter'):
+            filter = openmc.Filter.from_xml_element(e, meshes=meshes)
             filters[filter.id] = filter
 
         # Read derivative elements
         derivatives = {}
-        for elem in elem.findall('derivative'):
-            deriv = openmc.TallyDerivative.from_xml_element(elem)
+        for e in elem.findall('derivative'):
+            deriv = openmc.TallyDerivative.from_xml_element(e)
             derivatives[deriv.id] = deriv
 
         # Read tally elements
         tallies = []
-        for elem in elem.findall('tally'):
+        for e in elem.findall('tally'):
             tally = openmc.Tally.from_xml_element(
-                elem, filters=filters, derivatives=derivatives
+                e, filters=filters, derivatives=derivatives
             )
             tallies.append(tally)
 

From 5ac6e87a68c0666ef41ef1c6d9b60aa19500b1a5 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 3 Nov 2022 23:15:14 -0500
Subject: [PATCH 1352/2654] Properly call read_plots_xml

---
 src/plot.cpp | 2 ++
 1 file changed, 2 insertions(+)

diff --git a/src/plot.cpp b/src/plot.cpp
index e28543cdf..1a62fe263 100644
--- a/src/plot.cpp
+++ b/src/plot.cpp
@@ -140,6 +140,8 @@ void read_plots_xml() {
   doc.load_file(filename.c_str());
 
   pugi::xml_node root = doc.document_element();
+
+  read_plots_xml(root);
 }
 
 void read_plots_xml(pugi::xml_node root)

From 2e716589a14d2465ab4a494e12ddf86172af72e3 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 3 Nov 2022 23:57:22 -0500
Subject: [PATCH 1353/2654] Other bug fixes

---
 openmc/geometry.py    | 32 ++++++++++++++++----------------
 openmc/model/model.py |  6 +++---
 openmc/plots.py       |  7 ++++---
 3 files changed, 23 insertions(+), 22 deletions(-)

diff --git a/openmc/geometry.py b/openmc/geometry.py
index b4f8046bd..d036df9c7 100644
--- a/openmc/geometry.py
+++ b/openmc/geometry.py
@@ -204,24 +204,24 @@ class Geometry:
             surfaces[s1].periodic_surface = surfaces[s2]
 
         # Add any DAGMC universes
-        for elem in elem.findall('dagmc_universe'):
-            dag_univ = openmc.DAGMCUniverse.from_xml_element(elem)
+        for e in elem.findall('dagmc_universe'):
+            dag_univ = openmc.DAGMCUniverse.from_xml_element(e)
             universes[dag_univ.id] = dag_univ
 
         # Dictionary that maps each universe to a list of cells/lattices that
         # contain it (needed to determine which universe is the elem)
         child_of = defaultdict(list)
 
-        for elem in elem.findall('lattice'):
-            lat = openmc.RectLattice.from_xml_element(elem, get_universe)
+        for e in elem.findall('lattice'):
+            lat = openmc.RectLattice.from_xml_element(e, get_universe)
             universes[lat.id] = lat
             if lat.outer is not None:
                 child_of[lat.outer].append(lat)
             for u in lat.universes.ravel():
                 child_of[u].append(lat)
 
-        for elem in elem.findall('hex_lattice'):
-            lat = openmc.HexLattice.from_xml_element(elem, get_universe)
+        for e in elem.findall('hex_lattice'):
+            lat = openmc.HexLattice.from_xml_element(e, get_universe)
             universes[lat.id] = lat
             if lat.outer is not None:
                 child_of[lat.outer].append(lat)
@@ -235,15 +235,8 @@ class Geometry:
                         for u in ring:
                             child_of[u].append(lat)
 
-        # Create dictionary to easily look up materials
-        if materials is None:
-            filename = Path(path).parent / 'materials.xml'
-            materials = openmc.Materials.from_xml(str(filename))
-        mats = {str(m.id): m for m in materials}
-        mats['void'] = None
-
-        for elem in elem.findall('cell'):
-            c = openmc.Cell.from_xml_element(elem, surfaces, mats, get_universe)
+        for e in elem.findall('cell'):
+            c = openmc.Cell.from_xml_element(e, surfaces, materials, get_universe)
             if c.fill_type in ('universe', 'lattice'):
                 child_of[c.fill].append(c)
 
@@ -276,7 +269,14 @@ class Geometry:
         tree = ET.parse(path)
         root = tree.getroot()
 
-        return cls.from_xml_element(root, materials)
+         # Create dictionary to easily look up materials
+        if materials is None:
+            filename = Path(path).parent / 'materials.xml'
+            materials = openmc.Materials.from_xml(str(filename))
+        mats = {str(m.id): m for m in materials}
+        mats['void'] = None
+
+        return cls.from_xml_element(root, mats)
 
     def find(self, point):
         """Find cells/universes/lattices which contain a given point
diff --git a/openmc/model/model.py b/openmc/model/model.py
index 2193084c3..a839dc8f0 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -208,11 +208,11 @@ class Model:
                 self._plots.append(plot)
 
     @classmethod
-    def from_xml(cls, separate_xmls=True, **kwargs):
+    def from_xml(cls, *args, separate_xmls=True, **kwargs):
         if separate_xmls:
-            return cls.from_separate_xmls(**kwargs)
+            return cls.from_separate_xmls(*args, **kwargs)
         else:
-            return cls.from_model_xml(**kwargs)
+            return cls.from_model_xml(*args, **kwargs)
 
     @classmethod
     def from_model_xml(cls, path='model.xml'):
diff --git a/openmc/plots.py b/openmc/plots.py
index badea2e58..b1f192787 100644
--- a/openmc/plots.py
+++ b/openmc/plots.py
@@ -919,6 +919,7 @@ class Plots(cv.CheckedList):
 
         # Clean the indentation in the file to be user-readable
         clean_indentation(self._plots_file)
+        reorder_attributes(self._plots_file)  # TODO: Remove when support is Python 3.8+
 
         return self._plots_file
 
@@ -936,8 +937,8 @@ class Plots(cv.CheckedList):
         if p.is_dir():
             p /= 'plots.xml'
 
+        self.to_xml_element()
         # Write the XML Tree to the plots.xml file
-        reorder_attributes(self._plots_file)  # TODO: Remove when support is Python 3.8+
         tree = ET.ElementTree(self._plots_file)
         tree.write(str(p), xml_declaration=True, encoding='utf-8')
 
@@ -958,8 +959,8 @@ class Plots(cv.CheckedList):
         """
         # Generate each plot
         plots = cls()
-        for elem in elem.findall('plot'):
-            plots.append(Plot.from_xml_element(elem))
+        for e in elem.findall('plot'):
+            plots.append(Plot.from_xml_element(e))
         return plots
 
     @classmethod

From b4dcc30f92c4b8ff29b77505cdf654fa7eff7181 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 4 Nov 2022 00:58:43 -0500
Subject: [PATCH 1354/2654] Removing walrus operator

---
 openmc/model/model.py | 9 ++++-----
 1 file changed, 4 insertions(+), 5 deletions(-)

diff --git a/openmc/model/model.py b/openmc/model/model.py
index a839dc8f0..bc8f0b531 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -233,12 +233,11 @@ class Model:
         model.geometry = \
         openmc.Geometry.from_xml_element(root.find('geometry'), model.materials)
 
-        if tally_node := root.find('tallies'):
-            print(tally_node)
-            model.tallies = openmc.Tallies.from_xml_element(tally_node)
+        if root.find('tallies'):
+            model.tallies = openmc.Tallies.from_xml_element(root.find('tallies'))
 
-        if plots_node := root.find('plots'):
-            model.plots = openmc.Plots.from_xml_element(plots_node)
+        if root.find('plots'):
+            model.plots = openmc.Plots.from_xml_element(root.find('plots'))
 
         return model
 

From 611475a835be98beee0082727e94660b3fcd3000 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 4 Nov 2022 22:43:25 -0500
Subject: [PATCH 1355/2654] Restructureing input function calls a little

---
 src/initialize.cpp | 5 +----
 1 file changed, 1 insertion(+), 4 deletions(-)

diff --git a/src/initialize.cpp b/src/initialize.cpp
index aa3e15efa..3f6e69ecd 100644
--- a/src/initialize.cpp
+++ b/src/initialize.cpp
@@ -106,7 +106,7 @@ int openmc_init(int argc, char* argv[], const void* intracomm)
   openmc::openmc_set_seed(DEFAULT_SEED);
 
   // Read XML input files
-  read_input_xml();
+  if (!read_model_xml()) read_input_xml();
 
   // Write some initial output under the header if needed
   initial_output();
@@ -373,9 +373,6 @@ bool read_model_xml() {
 
 void read_input_xml()
 {
-  // attempt to reach the model.xml file if present
-  if (read_model_xml()) return;
-
   read_settings_xml();
   read_cross_sections_xml();
   read_materials_xml();

From 021bb280c9b4cad713ecdd516c9ef8b9ee97bd2c Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 4 Nov 2022 22:45:37 -0500
Subject: [PATCH 1356/2654] Adding initial test for exporting model.xmls.
 Correcting material maps

---
 openmc/model/model.py          |  3 ++-
 tests/unit_tests/test_model.py | 21 +++++++++++++++++++++
 2 files changed, 23 insertions(+), 1 deletion(-)

diff --git a/openmc/model/model.py b/openmc/model/model.py
index bc8f0b531..6950642e0 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -230,8 +230,9 @@ class Model:
 
         model.settings = openmc.Settings.from_xml_element(root.find('settings'))
         model.materials = openmc.Materials.from_xml_element(root.find('materials'))
+        materials = {str(m.id): m for m in model.materials}
         model.geometry = \
-        openmc.Geometry.from_xml_element(root.find('geometry'), model.materials)
+        openmc.Geometry.from_xml_element(root.find('geometry'), materials)
 
         if root.find('tallies'):
             model.tallies = openmc.Tallies.from_xml_element(root.find('tallies'))
diff --git a/tests/unit_tests/test_model.py b/tests/unit_tests/test_model.py
index 9b05ed2a5..ce81b00ee 100644
--- a/tests/unit_tests/test_model.py
+++ b/tests/unit_tests/test_model.py
@@ -7,6 +7,8 @@ import pytest
 import openmc
 import openmc.lib
 
+from .. import cdtemp
+
 
 @pytest.fixture(scope='function')
 def pin_model_attributes():
@@ -529,3 +531,22 @@ def test_calc_volumes(run_in_tmpdir, pin_model_attributes, mpi_intracomm):
     assert openmc.lib.materials[3].volume == mats[2].volume
 
     test_model.finalize_lib()
+
+def test_model_xml():
+
+    with cdtemp():
+        # load a model from examples
+        pwr_model = openmc.examples.pwr_core()
+
+        # export to separate XMLs manually
+        pwr_model.settings.export_to_xml('settings_ref.xml')
+        pwr_model.materials.export_to_xml('materials_ref.xml')
+        pwr_model.geometry.export_to_xml('geometry_ref.xml')
+
+        # now write and read a model.xml file
+        pwr_model.export_to_xml(separate_xmls=False)
+        new_model = openmc.Model.from_xml(separate_xmls=False)
+
+        # make sure we can also export this again to separate
+        # XML files
+        new_model.export_to_xml(separate_xmls=True)
\ No newline at end of file

From abd3d515b0906363ce1975ffadd983c6c5a86f2b Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 4 Nov 2022 22:46:11 -0500
Subject: [PATCH 1357/2654] Correcting doc strings for material mapping sent to

---
 openmc/cell.py     | 2 +-
 openmc/geometry.py | 6 +++---
 2 files changed, 4 insertions(+), 4 deletions(-)

diff --git a/openmc/cell.py b/openmc/cell.py
index 0cea73b32..d03052623 100644
--- a/openmc/cell.py
+++ b/openmc/cell.py
@@ -650,7 +650,7 @@ class Cell(IDManagerMixin):
         surfaces : dict
             Dictionary mapping surface IDs to :class:`openmc.Surface` instances
         materials : dict
-            Dictionary mapping material IDs to :class:`openmc.Material`
+            Dictionary mapping material ID strings to :class:`openmc.Material`
             instances (defined in :math:`openmc.Geometry.from_xml`)
         get_universe : function
             Function returning universe (defined in
diff --git a/openmc/geometry.py b/openmc/geometry.py
index d036df9c7..57aab1884 100644
--- a/openmc/geometry.py
+++ b/openmc/geometry.py
@@ -256,9 +256,9 @@ class Geometry:
         ----------
         path : str, optional
             Path to geometry XML file
-        materials : openmc.Materials or None
-            Materials used to assign to cells. If None, an attempt is made to
-            generate it from the materials.xml file.
+         materials : dict
+            Dictionary mapping material ID strings to :class:`openmc.Material`
+            instances (defined in :math:`openmc.Geometry.from_xml`)
 
         Returns
         -------

From 662d83a7dd72240b4da8594319bab416977ec71b Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Wed, 9 Nov 2022 23:29:17 -0600
Subject: [PATCH 1358/2654] Running some existing regression tests using single
 XML file

---
 .../adj_cell_rotation/__init__.py             |  2 +
 .../regression_tests/energy_laws/__init__.py  |  1 +
 .../lattice_multiple/__init__.py              |  1 +
 tests/regression_tests/model_xml/__init__.py  |  0
 .../model_xml/inputs_true.dat                 | 38 ++++++++++
 tests/regression_tests/model_xml/test.py      | 76 +++++++++++++++++++
 .../photon_production/__init__.py             |  1 +
 7 files changed, 119 insertions(+)
 create mode 100644 tests/regression_tests/model_xml/__init__.py
 create mode 100644 tests/regression_tests/model_xml/inputs_true.dat
 create mode 100644 tests/regression_tests/model_xml/test.py

diff --git a/tests/regression_tests/adj_cell_rotation/__init__.py b/tests/regression_tests/adj_cell_rotation/__init__.py
index e69de29bb..7efe44865 100644
--- a/tests/regression_tests/adj_cell_rotation/__init__.py
+++ b/tests/regression_tests/adj_cell_rotation/__init__.py
@@ -0,0 +1,2 @@
+
+from .test import model
\ No newline at end of file
diff --git a/tests/regression_tests/energy_laws/__init__.py b/tests/regression_tests/energy_laws/__init__.py
index e69de29bb..29fbfcc0c 100644
--- a/tests/regression_tests/energy_laws/__init__.py
+++ b/tests/regression_tests/energy_laws/__init__.py
@@ -0,0 +1 @@
+from .test import model
\ No newline at end of file
diff --git a/tests/regression_tests/lattice_multiple/__init__.py b/tests/regression_tests/lattice_multiple/__init__.py
index e69de29bb..29fbfcc0c 100644
--- a/tests/regression_tests/lattice_multiple/__init__.py
+++ b/tests/regression_tests/lattice_multiple/__init__.py
@@ -0,0 +1 @@
+from .test import model
\ No newline at end of file
diff --git a/tests/regression_tests/model_xml/__init__.py b/tests/regression_tests/model_xml/__init__.py
new file mode 100644
index 000000000..e69de29bb
diff --git a/tests/regression_tests/model_xml/inputs_true.dat b/tests/regression_tests/model_xml/inputs_true.dat
new file mode 100644
index 000000000..5aedbfa14
--- /dev/null
+++ b/tests/regression_tests/model_xml/inputs_true.dat
@@ -0,0 +1,38 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+<materials>
+  <material depletable="true" id="1">
+    <density units="g/cc" value="10.0" />
+    <nuclide ao="1.0" name="U235" />
+  </material>
+  <material id="2">
+    <density units="g/cc" value="0.1" />
+    <nuclide ao="0.1" name="H1" />
+  </material>
+</materials>
+<geometry>
+  <cell id="1" material="1" region="-1" universe="1" />
+  <cell id="2" material="2" region="1" universe="1" />
+  <cell id="3" fill="1" region="2 -3 4 -5 6 -8" rotation="10 20 30" universe="2" />
+  <cell id="4" fill="1" region="2 -3 4 -5 8 -7" translation="0 0 15" universe="2" />
+  <surface id="1" type="sphere" coeffs="1.0 0.0 0.0 5.0" />
+  <surface id="2" name="minimum x" type="x-plane" boundary="vacuum" coeffs="-7.5" />
+  <surface id="3" name="maximum x" type="x-plane" boundary="vacuum" coeffs="7.5" />
+  <surface id="4" name="minimum y" type="y-plane" boundary="vacuum" coeffs="-7.5" />
+  <surface id="5" name="maximum y" type="y-plane" boundary="vacuum" coeffs="7.5" />
+  <surface id="6" type="z-plane" boundary="vacuum" coeffs="-7.5" />
+  <surface id="7" type="z-plane" boundary="vacuum" coeffs="22.5" />
+  <surface id="8" type="z-plane" coeffs="7.5" />
+</geometry>
+<settings>
+  <run_mode>eigenvalue</run_mode>
+  <particles>10000</particles>
+  <batches>10</batches>
+  <inactive>5</inactive>
+  <source strength="1.0">
+    <space type="box">
+      <parameters>-4.0 -4.0 -4.0 4.0 4.0 4.0</parameters>
+    </space>
+  </source>
+</settings>
+</model>
diff --git a/tests/regression_tests/model_xml/test.py b/tests/regression_tests/model_xml/test.py
new file mode 100644
index 000000000..448079b3f
--- /dev/null
+++ b/tests/regression_tests/model_xml/test.py
@@ -0,0 +1,76 @@
+from difflib import unified_diff
+import filecmp
+import os
+
+import openmc
+import pytest
+
+from tests.testing_harness import PyAPITestHarness, colorize
+
+# use a few models from other tests to make sure the same results are
+# produced when using a single model.xml file as input
+from ..adj_cell_rotation import model as adj_cell_rotation_model
+from ..lattice_multiple import model as lattice_mult_model
+from ..energy_laws import model as energy_laws_model
+from ..photon_production import model as photon_prod_model
+
+
+class ModelXMLTestHarness(PyAPITestHarness):
+    """Accept a results file to check against and assume inputs_true is the contents of a model.xml file.
+    """
+    def __init__(self, model=None, inputs_true=None, results_true=None):
+        statepoint_name = f'statepoint.{model.settings.batches}.h5'
+        super().__init__(statepoint_name, model, inputs_true)
+
+        self.results_true = 'results_true.dat' if results_true is None else results_true
+
+    def _build_inputs(self):
+        self._model.export_to_xml(separate_xmls=False)
+
+    def _get_inputs(self):
+        return open('model.xml').read()
+
+    def _compare_inputs(self):
+        """Skip input comparisons for now
+        """
+        pass
+
+    def _compare_results(self):
+        """Make sure the current results agree with the reference."""
+        compare = filecmp.cmp('results_test.dat', self.results_true)
+        if not compare:
+            expected = open(self.results_true).readlines()
+            actual = open('results_test.dat').readlines()
+            diff = unified_diff(expected, actual, self.results_true,
+                                'results_test.dat')
+            print('Result differences:')
+            print(''.join(colorize(diff)))
+            os.rename('results_test.dat', 'results_error.dat')
+        assert compare, 'Results do not agree'
+
+    def _cleanup(self):
+        super()._cleanup()
+        if os.path.exists('model.xml'):
+            os.remove('model.xml')
+
+
+models = [
+'adj_cell_rotation_model',
+'lattice_mult_model',
+'energy_laws_model',
+'photon_prod_model'
+]
+paths = [
+'../adj_cell_rotation',
+'../lattice_multiple',
+'../energy_laws',
+'../photon_production'
+]
+
+
+@pytest.mark.parametrize("model, path", zip(models, paths))
+def test_model_xml(model, path, request):
+    inputs = path + "/inputs_true.dat"
+    results = path + "/results_true.dat"
+    harness = ModelXMLTestHarness(request.getfixturevalue(model), inputs, results)
+    harness.main()
\ No newline at end of file
diff --git a/tests/regression_tests/photon_production/__init__.py b/tests/regression_tests/photon_production/__init__.py
index e69de29bb..29fbfcc0c 100644
--- a/tests/regression_tests/photon_production/__init__.py
+++ b/tests/regression_tests/photon_production/__init__.py
@@ -0,0 +1 @@
+from .test import model
\ No newline at end of file

From 1e7dbe99cf7d6c262a9900930836f5786f519f9a Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 10 Nov 2022 00:01:40 -0600
Subject: [PATCH 1359/2654] Making sure meshes are only written once to a
 model.xml file

---
 openmc/model/model.py | 18 ++++++++++++------
 openmc/settings.py    | 15 ++++++++++-----
 openmc/tallies.py     | 24 ++++++++++++------------
 3 files changed, 34 insertions(+), 23 deletions(-)

diff --git a/openmc/model/model.py b/openmc/model/model.py
index 6950642e0..cb84f2c17 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -5,11 +5,8 @@ import os
 from pathlib import Path
 from numbers import Integral
 from tempfile import NamedTemporaryFile
-<<<<<<< HEAD
 import warnings
-=======
 from xml.etree import ElementTree as ET
->>>>>>> d42935a08 (Writing all main nodes to a single XML file)
 
 import h5py
 
@@ -234,8 +231,16 @@ class Model:
         model.geometry = \
         openmc.Geometry.from_xml_element(root.find('geometry'), materials)
 
+        # gather meshses from other classes before reading the tally node
+        meshes = {}
+        if model.settings.entropy_mesh is not None:
+            meshes[model.settings.entropy_mesh.id] = model.settings.entropy_mesh
+
+        for ww in model.settings.weight_windows:
+            meshes[ww.mesh.id] = ww.mesh
+
         if root.find('tallies'):
-            model.tallies = openmc.Tallies.from_xml_element(root.find('tallies'))
+            model.tallies = openmc.Tallies.from_xml_element(root.find('tallies'), meshes)
 
         if root.find('plots'):
             model.plots = openmc.Plots.from_xml_element(root.find('plots'))
@@ -524,7 +529,8 @@ class Model:
             # Can be used to modify tallies in case any surfaces are redundant
             redundant_surfaces = self.geometry.remove_redundant_surfaces()
 
-        settings_element = self.settings.to_xml_element()
+        memo = set()
+        settings_element = self.settings.to_xml_element(memo)
         geometry_element = self.geometry.to_xml_element()
 
         # If a materials collection was specified, export it. Otherwise, look
@@ -549,7 +555,7 @@ class Model:
             ET.ElementTree(settings_element).write(fh, encoding='unicode')
 
             if self.tallies:
-                tallies_element = self.tallies.to_xml_element()
+                tallies_element = self.tallies.to_xml_element(memo)
                 ET.ElementTree(tallies_element).write(fh, encoding='unicode')
             if self.plots:
                 plots_element = self.plots.to_xml_element()
diff --git a/openmc/settings.py b/openmc/settings.py
index c2fca98f7..74ec0d54a 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -1073,7 +1073,7 @@ class Settings:
                 subelement = ET.SubElement(element, key)
                 subelement.text = str(value)
 
-    def _create_entropy_mesh_subelement(self, root):
+    def _create_entropy_mesh_subelement(self, root, memo=None):
         if self.entropy_mesh is not None:
             # use default heuristic for entropy mesh if not set by user
             if self.entropy_mesh.dimension is None:
@@ -1207,15 +1207,20 @@ class Settings:
             elem = ET.SubElement(root, "write_initial_source")
             elem.text = str(self._write_initial_source).lower()
 
-    def _create_weight_windows_subelement(self, root):
+    def _create_weight_windows_subelement(self, root, memo=None):
         for ww in self._weight_windows:
             # Add weight window information
             root.append(ww.to_xml_element())
 
+            # check the memo for a mesh
+            if memo and ww.mesh.id in memo:
+                continue
+
             # See if a <mesh> element already exists -- if not, add it
             path = f"./mesh[@id='{ww.mesh.id}']"
             if root.find(path) is None:
                 root.append(ww.mesh.to_xml_element())
+                if memo is not None: memo.add(ww.mesh.id)
 
         if self._weight_windows_on is not None:
             elem = ET.SubElement(root, "weight_windows_on")
@@ -1539,7 +1544,7 @@ class Settings:
         if text is not None:
             self.max_tracks = int(text)
 
-    def to_xml_element(self):
+    def to_xml_element(self, memo=None):
         """Create a 'settings' element to be written to an XML file.
         """
 
@@ -1569,7 +1574,7 @@ class Settings:
         self._create_seed_subelement(element)
         self._create_survival_biasing_subelement(element)
         self._create_cutoff_subelement(element)
-        self._create_entropy_mesh_subelement(element)
+        self._create_entropy_mesh_subelement(element, memo)
         self._create_trigger_subelement(element)
         self._create_no_reduce_subelement(element)
         self._create_verbosity_subelement(element)
@@ -1587,7 +1592,7 @@ class Settings:
         self._create_material_cell_offsets_subelement(element)
         self._create_log_grid_bins_subelement(element)
         self._create_write_initial_source_subelement(element)
-        self._create_weight_windows_subelement(element)
+        self._create_weight_windows_subelement(element, memo)
         self._create_max_splits_subelement(element)
         self._create_max_tracks_subelement(element)
 
diff --git a/openmc/tallies.py b/openmc/tallies.py
index 2996f1b03..e37f04e25 100644
--- a/openmc/tallies.py
+++ b/openmc/tallies.py
@@ -3119,17 +3119,17 @@ class Tallies(cv.CheckedList):
         for tally in self:
             root_element.append(tally.to_xml_element())
 
-    def _create_mesh_subelements(self, root_element):
-        already_written = set()
+    def _create_mesh_subelements(self, root_element, memo=None):
+        already_written = memo if memo else set()
         for tally in self:
             for f in tally.filters:
                 if isinstance(f, openmc.MeshFilter):
-                    if f.mesh.id not in already_written:
-                        if len(f.mesh.name) > 0:
-                            root_element.append(ET.Comment(f.mesh.name))
-
-                        root_element.append(f.mesh.to_xml_element())
-                        already_written.add(f.mesh.id)
+                    if f.mesh.id in already_written:
+                        continue
+                    if len(f.mesh.name) > 0:
+                        root_element.append(ET.Comment(f.mesh.name))
+                    root_element.append(f.mesh.to_xml_element())
+                    already_written.add(f.mesh.id)
 
     def _create_filter_subelements(self, root_element):
         already_written = dict()
@@ -3155,11 +3155,11 @@ class Tallies(cv.CheckedList):
         for d in derivs:
             root_element.append(d.to_xml_element())
 
-    def to_xml_element(self):
+    def to_xml_element(self, memo=None):
         """Creates a 'tallies' element to be written to an XML file.
         """
         element = ET.Element("tallies")
-        self._create_mesh_subelements(element)
+        self._create_mesh_subelements(element, memo)
         self._create_filter_subelements(element)
         self._create_tally_subelements(element)
         self._create_derivative_subelements(element)
@@ -3192,7 +3192,7 @@ class Tallies(cv.CheckedList):
         tree.write(str(p), xml_declaration=True, encoding='utf-8')
 
     @classmethod
-    def from_xml_element(cls, elem):
+    def from_xml_element(cls, elem, meshes=None):
         """Generate tallies from an XML element
 
         Parameters
@@ -3207,7 +3207,7 @@ class Tallies(cv.CheckedList):
 
         """
         # Read mesh elements
-        meshes = {}
+        meshes = {} if meshes is None else meshes
         for e in elem.findall('mesh'):
             mesh = MeshBase.from_xml_element(e)
             meshes[mesh.id] = mesh

From d034e1de9c8fe166f38624ee872b8bc46643c66a Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Wed, 23 Nov 2022 21:23:36 -0600
Subject: [PATCH 1360/2654] Apply suggestions from code review

Incorporating suggestions from @paulromano

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/geometry.py                       |  2 +-
 openmc/model/model.py                    |  6 ++----
 tests/regression_tests/model_xml/test.py | 16 ++++++++--------
 tests/unit_tests/test_model.py           |  2 --
 4 files changed, 11 insertions(+), 15 deletions(-)

diff --git a/openmc/geometry.py b/openmc/geometry.py
index 57aab1884..630106628 100644
--- a/openmc/geometry.py
+++ b/openmc/geometry.py
@@ -256,7 +256,7 @@ class Geometry:
         ----------
         path : str, optional
             Path to geometry XML file
-         materials : dict
+        materials : dict
             Dictionary mapping material ID strings to :class:`openmc.Material`
             instances (defined in :math:`openmc.Geometry.from_xml`)
 
diff --git a/openmc/model/model.py b/openmc/model/model.py
index cb84f2c17..559def570 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -228,8 +228,7 @@ class Model:
         model.settings = openmc.Settings.from_xml_element(root.find('settings'))
         model.materials = openmc.Materials.from_xml_element(root.find('materials'))
         materials = {str(m.id): m for m in model.materials}
-        model.geometry = \
-        openmc.Geometry.from_xml_element(root.find('geometry'), materials)
+        model.geometry = .Geometry.from_xml_element(root.find('geometry'), materials)
 
         # gather meshses from other classes before reading the tally node
         meshes = {}
@@ -542,8 +541,7 @@ class Model:
             materials = openmc.Materials(self.geometry.get_all_materials()
                                          .values())
 
-        with open(d, 'w', encoding='utf-8',
-                  errors='xmlcharrefreplace') as fh:
+        with open(d, 'w', encoding='utf-8', errors='xmlcharrefreplace') as fh:
             # write the XML header
             fh.write("<?xml version='1.0' encoding='utf-8'?>\n")
             fh.write("<model>\n")
diff --git a/tests/regression_tests/model_xml/test.py b/tests/regression_tests/model_xml/test.py
index 448079b3f..289bd4655 100644
--- a/tests/regression_tests/model_xml/test.py
+++ b/tests/regression_tests/model_xml/test.py
@@ -55,16 +55,16 @@ class ModelXMLTestHarness(PyAPITestHarness):
 
 
 models = [
-'adj_cell_rotation_model',
-'lattice_mult_model',
-'energy_laws_model',
-'photon_prod_model'
+    'adj_cell_rotation_model',
+    'lattice_mult_model',
+    'energy_laws_model',
+    'photon_prod_model'
 ]
 paths = [
-'../adj_cell_rotation',
-'../lattice_multiple',
-'../energy_laws',
-'../photon_production'
+    '../adj_cell_rotation',
+    '../lattice_multiple',
+    '../energy_laws',
+    '../photon_production'
 ]
 
 
diff --git a/tests/unit_tests/test_model.py b/tests/unit_tests/test_model.py
index ce81b00ee..928bf0715 100644
--- a/tests/unit_tests/test_model.py
+++ b/tests/unit_tests/test_model.py
@@ -7,8 +7,6 @@ import pytest
 import openmc
 import openmc.lib
 
-from .. import cdtemp
-
 
 @pytest.fixture(scope='function')
 def pin_model_attributes():

From b76825fa9f0598ca563d1c9d579968aa7bffa370 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Wed, 23 Nov 2022 22:16:34 -0600
Subject: [PATCH 1361/2654] Addressing some comments from PR

---
 include/openmc/initialize.h    |  6 ++++-
 openmc/geometry.py             |  6 ++---
 openmc/model/model.py          | 49 ++++++++++++++++++++++++----------
 openmc/plots.py                |  6 +++++
 src/initialize.cpp             |  4 +--
 tests/unit_tests/test_model.py | 27 +++++++++----------
 6 files changed, 64 insertions(+), 34 deletions(-)

diff --git a/include/openmc/initialize.h b/include/openmc/initialize.h
index d3d12d45d..5caccceda 100644
--- a/include/openmc/initialize.h
+++ b/include/openmc/initialize.h
@@ -11,8 +11,12 @@ int parse_command_line(int argc, char* argv[]);
 #ifdef OPENMC_MPI
 void initialize_mpi(MPI_Comm intracomm);
 #endif
+
+//! Read material, geometry, settings, and tallies from a single XML file
 bool read_model_xml();
-void read_input_xml();
+//! Read inputs from separate XML files
+void read_separate_xml_files();
+//! Write some output that occurs right after initialization
 void initial_output();
 
 } // namespace openmc
diff --git a/openmc/geometry.py b/openmc/geometry.py
index 630106628..d036df9c7 100644
--- a/openmc/geometry.py
+++ b/openmc/geometry.py
@@ -256,9 +256,9 @@ class Geometry:
         ----------
         path : str, optional
             Path to geometry XML file
-        materials : dict
-            Dictionary mapping material ID strings to :class:`openmc.Material`
-            instances (defined in :math:`openmc.Geometry.from_xml`)
+        materials : openmc.Materials or None
+            Materials used to assign to cells. If None, an attempt is made to
+            generate it from the materials.xml file.
 
         Returns
         -------
diff --git a/openmc/model/model.py b/openmc/model/model.py
index 559def570..2ed9bf668 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -205,8 +205,24 @@ class Model:
                 self._plots.append(plot)
 
     @classmethod
-    def from_xml(cls, *args, separate_xmls=True, **kwargs):
-        if separate_xmls:
+    def from_xml(cls, *args, path='model.xml', separate_xmls=True, **kwargs):
+        """Generate geometry from XML file
+
+        Parameters
+        ----------
+        path : str, optional
+            Path to model XML file
+        separate_xmls : bool
+            Whether or not to read from a single or separate XML files
+
+        Returns
+        -------
+        openmc.Geometry
+            Geometry object
+
+        """
+
+        if separate_xmls or not Path(path).exists():
             return cls.from_separate_xmls(*args, **kwargs)
         else:
             return cls.from_model_xml(*args, **kwargs)
@@ -228,7 +244,7 @@ class Model:
         model.settings = openmc.Settings.from_xml_element(root.find('settings'))
         model.materials = openmc.Materials.from_xml_element(root.find('materials'))
         materials = {str(m.id): m for m in model.materials}
-        model.geometry = .Geometry.from_xml_element(root.find('geometry'), materials)
+        model.geometry = openmc.Geometry.from_xml_element(root.find('geometry'), materials)
 
         # gather meshses from other classes before reading the tally node
         meshes = {}
@@ -442,8 +458,8 @@ class Model:
                 depletion_operator.cleanup_when_done = True
                 depletion_operator.finalize()
 
-    def export_to_xml(self, directory='.', remove_surfs=False, separate_xmls=True):
-        """Export model to separate XML files.
+    def export_to_xml(self, directory='.', remove_surfs=False, separate_xmls=True, filename='model.xml'):
+        """Export model to an XML file(s).
 
         Parameters
         ----------
@@ -453,6 +469,8 @@ class Model:
         remove_surfs : bool
             Whether or not to remove redundant surfaces from the geometry when
             exporting.
+        filename : str
+            Name of the single XML file to create (only used :math:`separate_xmls` if False)
 
             .. versionadded:: 0.13.1
 
@@ -460,11 +478,15 @@ class Model:
             Whether or not to write a single model.xml file or many XML files.
         """
         if separate_xmls:
-            self.export_to_separate_xmls(directory, remove_surfs)
+            if filename != 'model.xml':
+                warnings.warn('Export filename parameter {filename} is ignored '
+                              'because the model is being written to separate XML files.')
+            self._export_to_separate_xmls(directory, remove_surfs)
         else:
-            self.export_to_single_xml(directory, remove_surfs)
+            filename = Path(directory) / Path(filename)
+            self._export_to_single_xml(filename, remove_surfs)
 
-    def export_to_separate_xmls(self, directory='.', remove_surfs=False):
+    def _export_to_separate_xmls(self, directory='.', remove_surfs=False):
         """Export model to separate XML files.
 
         Parameters
@@ -501,7 +523,7 @@ class Model:
         if self.plots:
             self.plots.export_to_xml(d)
 
-    def export_to_single_xml(self, directory='.', remove_surfs=False):
+    def _export_to_single_xml(self, path='model.xml', remove_surfs=False):
         """Export model to XML files.
 
         Parameters
@@ -516,10 +538,9 @@ class Model:
             .. versionadded:: 0.13.1
         """
         # Create directory if required
-        d = Path(directory)
-        if not d.is_dir():
-            d.mkdir(parents=True)
-        d /= 'model.xml'
+        xml_path = Path(path)
+        if not xml_path.parent.exists:
+            raise RuntimeError(f'The directory "{xml_path}" does not exist.')
 
         if remove_surfs:
             warnings.warn("remove_surfs kwarg will be deprecated soon, please "
@@ -541,7 +562,7 @@ class Model:
             materials = openmc.Materials(self.geometry.get_all_materials()
                                          .values())
 
-        with open(d, 'w', encoding='utf-8', errors='xmlcharrefreplace') as fh:
+        with open(xml_path, 'w', encoding='utf-8', errors='xmlcharrefreplace') as fh:
             # write the XML header
             fh.write("<?xml version='1.0' encoding='utf-8'?>\n")
             fh.write("<model>\n")
diff --git a/openmc/plots.py b/openmc/plots.py
index b1f192787..0a0451625 100644
--- a/openmc/plots.py
+++ b/openmc/plots.py
@@ -911,6 +911,12 @@ class Plots(cv.CheckedList):
 
     def to_xml_element(self):
         """Create a 'plots' element to be written to an XML file.
+
+        Returns
+        -------
+        element : xml.etree.ElementTree.Element
+            XML element containing all plot elements
+
         """
         # Reset xml element tree
         self._plots_file.clear()
diff --git a/src/initialize.cpp b/src/initialize.cpp
index 3f6e69ecd..dc5c0c3c1 100644
--- a/src/initialize.cpp
+++ b/src/initialize.cpp
@@ -106,7 +106,7 @@ int openmc_init(int argc, char* argv[], const void* intracomm)
   openmc::openmc_set_seed(DEFAULT_SEED);
 
   // Read XML input files
-  if (!read_model_xml()) read_input_xml();
+  if (!read_model_xml()) read_separate_xml_files();
 
   // Write some initial output under the header if needed
   initial_output();
@@ -371,7 +371,7 @@ bool read_model_xml() {
   return true;
 }
 
-void read_input_xml()
+void read_separate_xml_files()
 {
   read_settings_xml();
   read_cross_sections_xml();
diff --git a/tests/unit_tests/test_model.py b/tests/unit_tests/test_model.py
index 928bf0715..87557ddc5 100644
--- a/tests/unit_tests/test_model.py
+++ b/tests/unit_tests/test_model.py
@@ -530,21 +530,20 @@ def test_calc_volumes(run_in_tmpdir, pin_model_attributes, mpi_intracomm):
 
     test_model.finalize_lib()
 
-def test_model_xml():
+def test_model_xml(run_in_tmpdir):
 
-    with cdtemp():
-        # load a model from examples
-        pwr_model = openmc.examples.pwr_core()
+    # load a model from examples
+    pwr_model = openmc.examples.pwr_core()
 
-        # export to separate XMLs manually
-        pwr_model.settings.export_to_xml('settings_ref.xml')
-        pwr_model.materials.export_to_xml('materials_ref.xml')
-        pwr_model.geometry.export_to_xml('geometry_ref.xml')
+    # export to separate XMLs manually
+    pwr_model.settings.export_to_xml('settings_ref.xml')
+    pwr_model.materials.export_to_xml('materials_ref.xml')
+    pwr_model.geometry.export_to_xml('geometry_ref.xml')
 
-        # now write and read a model.xml file
-        pwr_model.export_to_xml(separate_xmls=False)
-        new_model = openmc.Model.from_xml(separate_xmls=False)
+    # now write and read a model.xml file
+    pwr_model.export_to_xml(separate_xmls=False)
+    new_model = openmc.Model.from_xml(separate_xmls=False)
 
-        # make sure we can also export this again to separate
-        # XML files
-        new_model.export_to_xml(separate_xmls=True)
\ No newline at end of file
+    # make sure we can also export this again to separate
+    # XML files
+    new_model.export_to_xml(separate_xmls=True)
\ No newline at end of file

From d9847163e86a4131016a1a6a5f0cd7c0e12b34cc Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Wed, 23 Nov 2022 23:06:31 -0600
Subject: [PATCH 1362/2654] Adding ability to specify an input filename to the
 executable or to the python exec

---
 include/openmc/initialize.h              |  4 +++
 openmc/executor.py                       | 37 +++++++++++++++++++-----
 openmc/model/model.py                    |  1 -
 src/initialize.cpp                       | 24 +++++++++++----
 tests/regression_tests/model_xml/test.py | 22 +++++++++++++-
 5 files changed, 73 insertions(+), 15 deletions(-)

diff --git a/include/openmc/initialize.h b/include/openmc/initialize.h
index 5caccceda..c37208e5e 100644
--- a/include/openmc/initialize.h
+++ b/include/openmc/initialize.h
@@ -1,6 +1,8 @@
 #ifndef OPENMC_INITIALIZE_H
 #define OPENMC_INITIALIZE_H
 
+#include <string>
+
 #ifdef OPENMC_MPI
 #include "mpi.h"
 #endif
@@ -19,6 +21,8 @@ void read_separate_xml_files();
 //! Write some output that occurs right after initialization
 void initial_output();
 
+
+std::string args_xml_filename {};
 } // namespace openmc
 
 #endif // OPENMC_INITIALIZE_H
diff --git a/openmc/executor.py b/openmc/executor.py
index a73d896ff..b14313213 100644
--- a/openmc/executor.py
+++ b/openmc/executor.py
@@ -9,7 +9,7 @@ from .plots import _get_plot_image
 def _process_CLI_arguments(volume=False, geometry_debug=False, particles=None,
                            plot=False, restart_file=None, threads=None,
                            tracks=False, event_based=None,
-                           openmc_exec='openmc', mpi_args=None):
+                           openmc_exec='openmc', mpi_args=None, input_file=None):
     """Converts user-readable flags in to command-line arguments to be run with
     the OpenMC executable via subprocess.
 
@@ -42,6 +42,8 @@ def _process_CLI_arguments(volume=False, geometry_debug=False, particles=None,
     mpi_args : list of str, optional
         MPI execute command and any additional MPI arguments to pass,
         e.g. ['mpiexec', '-n', '8'].
+    input_file : str or Pathlike
+        Name of a single XML input file for the OpenMC executable to read.
 
     .. versionadded:: 0.13.0
 
@@ -82,6 +84,9 @@ def _process_CLI_arguments(volume=False, geometry_debug=False, particles=None,
     if mpi_args is not None:
         args = mpi_args + args
 
+    if input_file is not None:
+        args += ['-i', input_file]
+
     return args
 
 
@@ -118,7 +123,7 @@ def _run(args, output, cwd):
         raise RuntimeError(error_msg)
 
 
-def plot_geometry(output=True, openmc_exec='openmc', cwd='.'):
+def plot_geometry(output=True, openmc_exec='openmc', cwd='.', input_file=None):
     """Run OpenMC in plotting mode
 
     Parameters
@@ -129,6 +134,8 @@ def plot_geometry(output=True, openmc_exec='openmc', cwd='.'):
         Path to OpenMC executable
     cwd : str, optional
         Path to working directory to run in
+    input_file : str
+        Name of a single XML input file for the OpenMC executable to read.
 
     Raises
     ------
@@ -136,10 +143,13 @@ def plot_geometry(output=True, openmc_exec='openmc', cwd='.'):
         If the `openmc` executable returns a non-zero status
 
     """
+    args = [openmc_exec, '-p']
+    if input_file is not None:
+        args += ['-i', input_file]
     _run([openmc_exec, '-p'], output, cwd)
 
 
-def plot_inline(plots, openmc_exec='openmc', cwd='.'):
+def plot_inline(plots, openmc_exec='openmc', cwd='.', input_file=None):
     """Display plots inline in a Jupyter notebook.
 
     .. versionchanged:: 0.13.0
@@ -155,6 +165,8 @@ def plot_inline(plots, openmc_exec='openmc', cwd='.'):
         Path to OpenMC executable
     cwd : str, optional
         Path to working directory to run in
+    input_file : str
+        Name of a single XML input file for the OpenMC executable to read.
 
     Raises
     ------
@@ -171,7 +183,7 @@ def plot_inline(plots, openmc_exec='openmc', cwd='.'):
     openmc.Plots(plots).export_to_xml(cwd)
 
     # Run OpenMC in geometry plotting mode
-    plot_geometry(False, openmc_exec, cwd)
+    plot_geometry(False, openmc_exec, cwd, input_file)
 
     if plots is not None:
         images = [_get_plot_image(p, cwd) for p in plots]
@@ -179,7 +191,8 @@ def plot_inline(plots, openmc_exec='openmc', cwd='.'):
 
 
 def calculate_volumes(threads=None, output=True, cwd='.',
-                      openmc_exec='openmc', mpi_args=None):
+                      openmc_exec='openmc', mpi_args=None,
+                      input_file=None):
     """Run stochastic volume calculations in OpenMC.
 
     This function runs OpenMC in stochastic volume calculation mode. To specify
@@ -210,6 +223,8 @@ def calculate_volumes(threads=None, output=True, cwd='.',
     cwd : str, optional
         Path to working directory to run in. Defaults to the current working
         directory.
+    input_file : str or Pathlike
+        Name of a single XML input file for the OpenMC executable to read.
 
     Raises
     ------
@@ -223,14 +238,16 @@ def calculate_volumes(threads=None, output=True, cwd='.',
     """
 
     args = _process_CLI_arguments(volume=True, threads=threads,
-                                  openmc_exec=openmc_exec, mpi_args=mpi_args)
+                                  openmc_exec=openmc_exec, mpi_args=mpi_args,
+                                  input_file=input_file)
 
     _run(args, output, cwd)
 
 
 def run(particles=None, threads=None, geometry_debug=False,
         restart_file=None, tracks=False, output=True, cwd='.',
-        openmc_exec='openmc', mpi_args=None, event_based=False):
+        openmc_exec='openmc', mpi_args=None, event_based=False,
+        input_file=None):
     """Run an OpenMC simulation.
 
     Parameters
@@ -265,6 +282,9 @@ def run(particles=None, threads=None, geometry_debug=False,
 
         .. versionadded:: 0.12
 
+    input_file : str or Pathlike
+        Name of a single XML input file for the OpenMC executable to read.
+
     Raises
     ------
     RuntimeError
@@ -275,6 +295,7 @@ def run(particles=None, threads=None, geometry_debug=False,
     args = _process_CLI_arguments(
         volume=False, geometry_debug=geometry_debug, particles=particles,
         restart_file=restart_file, threads=threads, tracks=tracks,
-        event_based=event_based, openmc_exec=openmc_exec, mpi_args=mpi_args)
+        event_based=event_based, openmc_exec=openmc_exec, mpi_args=mpi_args,
+        input_file=input_file)
 
     _run(args, output, cwd)
diff --git a/openmc/model/model.py b/openmc/model/model.py
index 2ed9bf668..15effd3e4 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -221,7 +221,6 @@ class Model:
             Geometry object
 
         """
-
         if separate_xmls or not Path(path).exists():
             return cls.from_separate_xmls(*args, **kwargs)
         else:
diff --git a/src/initialize.cpp b/src/initialize.cpp
index dc5c0c3c1..02a4f9ab7 100644
--- a/src/initialize.cpp
+++ b/src/initialize.cpp
@@ -181,10 +181,11 @@ int parse_command_line(int argc, char* argv[])
 
       } else if (arg == "-e" || arg == "--event") {
         settings::event_based = true;
-
+      } else if (arg == "-i" || arg == "--input") {
+        i += 1;
+        args_xml_filename = std::string(argv[i]);
       } else if (arg == "-r" || arg == "--restart") {
         i += 1;
-
         // Check what type of file this is
         hid_t file_id = file_open(argv[i], 'r', true);
         std::string filetype;
@@ -295,9 +296,19 @@ int parse_command_line(int argc, char* argv[])
 
 bool read_model_xml() {
   // get verbosity from settings node
-  std::string model_filename = settings::path_input + "model.xml";
-  bool use_model_file = file_exists(model_filename);
-  if (!file_exists(model_filename)) return false;
+
+  std::string xml_filename = "model.xml";
+  if (!args_xml_filename.empty()) xml_filename = args_xml_filename;
+  std::string model_filename = settings::path_input + xml_filename;
+
+  // check that the model file exists. If it does not and a custom filename was
+  // supplied by the user report an error
+  if (!file_exists(model_filename)) {
+    if (!args_xml_filename.empty()) {
+      fatal_error(fmt::format("The input file '{}' specified on the command line does not exist", args_xml_filename));
+    }
+    return false;
+  }
 
   // attempt to open the document
   pugi::xml_document doc;
@@ -325,6 +336,9 @@ bool read_model_xml() {
       title();
   }
 
+  if (!args_xml_filename.empty())
+  write_message(fmt::format("Reaging user-specified input '{}'...", args_xml_filename), 5);
+  else
   write_message("Reading model XML file...", 5);
 
   read_settings_xml(settings_root);
diff --git a/tests/regression_tests/model_xml/test.py b/tests/regression_tests/model_xml/test.py
index 289bd4655..342d7dca9 100644
--- a/tests/regression_tests/model_xml/test.py
+++ b/tests/regression_tests/model_xml/test.py
@@ -73,4 +73,24 @@ def test_model_xml(model, path, request):
     inputs = path + "/inputs_true.dat"
     results = path + "/results_true.dat"
     harness = ModelXMLTestHarness(request.getfixturevalue(model), inputs, results)
-    harness.main()
\ No newline at end of file
+    harness.main()
+
+def test_input_arg(run_in_tmpdir):
+
+    pincell = openmc.examples.pwr_pin_cell()
+
+    pincell.settings.particles = 100
+
+    # export to separate XML files and run
+    pincell.export_to_xml(separate_xmls=True)
+    openmc.run()
+
+    # now export to a single XML file with a custom name
+    pincell.export_to_xml(filename='pincell.xml', separate_xmls=False)
+
+    # run by specifying that single file
+    openmc.run(input_file='pincell.xml')
+
+    # now ensure we get an error for an incorrect filename
+    with pytest.raises(RuntimeError):
+        openmc.run(input_file='ex-em-ell.xml')
\ No newline at end of file

From 366f9e905c4f049e8971f743b6cca5d210fff04e Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Wed, 23 Nov 2022 23:10:57 -0600
Subject: [PATCH 1363/2654] Test comment and updated error messages

---
 src/initialize.cpp                       | 8 +++++---
 tests/regression_tests/model_xml/test.py | 3 ++-
 2 files changed, 7 insertions(+), 4 deletions(-)

diff --git a/src/initialize.cpp b/src/initialize.cpp
index 02a4f9ab7..68436f07e 100644
--- a/src/initialize.cpp
+++ b/src/initialize.cpp
@@ -348,14 +348,15 @@ bool read_model_xml() {
   auto other_inputs = {"materials.xml", "geometry.xml", "settings.xml", "tallies.xml", "plots.xml"};
   for (const auto& input : other_inputs) {
     if (file_exists(settings::path_input + input)) {
-      warning(("Other XML file input(s) are present. These file will be ignored in favor of the model.xml file."));
+      warning((fmt::format("Other XML file input(s) are present. These file will be ignored in favor of the {} file.", xml_filename));
       break;
     }
   }
 
   // Read materials and cross sections
   if (!check_for_node(root, "materials")) {
-    fatal_error("No <materials> node present in the model.xml file.");
+    fatal_error(
+      fmt::format("No <materials> node present in the {} file.", xml_filename));
   }
   auto materials_node = root.child("materials");
   read_cross_sections_xml(materials_node);
@@ -363,7 +364,8 @@ bool read_model_xml() {
 
   // Read geometry
   if (!check_for_node(root, "geometry")) {
-    fatal_error("No <geometry> node present in the model.xml_file.");
+    fatal_error(fmt::format(
+      "No <geometry> node present in the model.xml_file.", xml_filename));
   }
   read_geometry_xml(root.child("geometry"));
 
diff --git a/tests/regression_tests/model_xml/test.py b/tests/regression_tests/model_xml/test.py
index 342d7dca9..5bfe912a4 100644
--- a/tests/regression_tests/model_xml/test.py
+++ b/tests/regression_tests/model_xml/test.py
@@ -91,6 +91,7 @@ def test_input_arg(run_in_tmpdir):
     # run by specifying that single file
     openmc.run(input_file='pincell.xml')
 
-    # now ensure we get an error for an incorrect filename
+    # now ensure we get an error for an incorrect filename,
+    # even in the presence of other, valid XML files
     with pytest.raises(RuntimeError):
         openmc.run(input_file='ex-em-ell.xml')
\ No newline at end of file

From 1e6cb68ea420558f6f120e830602b8938f2c1319 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Wed, 23 Nov 2022 23:14:30 -0600
Subject: [PATCH 1364/2654] Addressing a few more comments in C++ code

---
 src/initialize.cpp | 6 +++++-
 1 file changed, 5 insertions(+), 1 deletion(-)

diff --git a/src/initialize.cpp b/src/initialize.cpp
index 68436f07e..87e839dfd 100644
--- a/src/initialize.cpp
+++ b/src/initialize.cpp
@@ -358,8 +358,12 @@ bool read_model_xml() {
     fatal_error(
       fmt::format("No <materials> node present in the {} file.", xml_filename));
   }
+
+  // find materials node this object cannot be used after being passed to the
+  // cross section reading function below
   auto materials_node = root.child("materials");
   read_cross_sections_xml(materials_node);
+
   read_materials_xml(root.child("materials"));
 
   // Read geometry
@@ -411,7 +415,7 @@ void read_separate_xml_files()
 }
 
 void initial_output() {
-  // handle some final output
+  // write initial output
   if (settings::run_mode == RunMode::PLOTTING) {
     // Read plots.xml if it exists
     if (mpi::master && settings::verbosity >= 5)

From 7a203fbf7266f365d3d209461687402edcb3b56b Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Wed, 23 Nov 2022 23:16:57 -0600
Subject: [PATCH 1365/2654] Correcting parenthesis

---
 src/initialize.cpp | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/src/initialize.cpp b/src/initialize.cpp
index 87e839dfd..a6a6b5a77 100644
--- a/src/initialize.cpp
+++ b/src/initialize.cpp
@@ -348,7 +348,7 @@ bool read_model_xml() {
   auto other_inputs = {"materials.xml", "geometry.xml", "settings.xml", "tallies.xml", "plots.xml"};
   for (const auto& input : other_inputs) {
     if (file_exists(settings::path_input + input)) {
-      warning((fmt::format("Other XML file input(s) are present. These file will be ignored in favor of the {} file.", xml_filename));
+      warning((fmt::format("Other XML file input(s) are present. These file will be ignored in favor of the {} file.", xml_filename)));
       break;
     }
   }

From fe47d565fd7fddb464e3e67907936211bc76a857 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Wed, 23 Nov 2022 23:17:11 -0600
Subject: [PATCH 1366/2654] Spot check in error message from failed run

---
 tests/regression_tests/model_xml/test.py | 5 +++--
 1 file changed, 3 insertions(+), 2 deletions(-)

diff --git a/tests/regression_tests/model_xml/test.py b/tests/regression_tests/model_xml/test.py
index 5bfe912a4..0dc2cc289 100644
--- a/tests/regression_tests/model_xml/test.py
+++ b/tests/regression_tests/model_xml/test.py
@@ -93,5 +93,6 @@ def test_input_arg(run_in_tmpdir):
 
     # now ensure we get an error for an incorrect filename,
     # even in the presence of other, valid XML files
-    with pytest.raises(RuntimeError):
-        openmc.run(input_file='ex-em-ell.xml')
\ No newline at end of file
+    with pytest.raises(RuntimeError) as execinfo:
+        openmc.run(input_file='ex-em-ell.xml')
+        assert 'ex-em-ell.xml' in execinfo.value
\ No newline at end of file

From 6f7a6febd3fe01531979d2276f1c40fb6f8430f7 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 25 Nov 2022 08:22:57 -0600
Subject: [PATCH 1367/2654] Updating model XML file format w/ indentation.

---
 openmc/_xml.py                                | 28 ++++--
 openmc/material.py                            | 27 +++--
 openmc/model/model.py                         |  7 +-
 .../model_xml/inputs_true.dat                 | 99 ++++++++++++-------
 4 files changed, 111 insertions(+), 50 deletions(-)

diff --git a/openmc/_xml.py b/openmc/_xml.py
index 32679fd89..b4e08c751 100644
--- a/openmc/_xml.py
+++ b/openmc/_xml.py
@@ -1,22 +1,36 @@
-def clean_indentation(element, level=0, spaces_per_level=2):
-    """
-    copy and paste from https://effbot.org/zone/element-lib.htm#prettyprint
-    it basically walks your tree and adds spaces and newlines so the tree is
-    printed in a nice way
+def clean_indentation(element, level=0, spaces_per_level=2, trailing_indent=True):
+    """Set indentation of XML element and its sub-elements.
+    Copied and pastee from https://effbot.org/zone/element-lib.htm#prettyprint.
+    It walks your tree and adds spaces and newlines so the tree is
+    printed in a nice way.
+
+    Parameters
+    ----------
+    level : int
+        Indentation level for the element passed in (default 0)
+    spaces_per_level : int
+        Number of spaces per indentation level (default 2)
+    trailing_indent : bool
+        Whether or not to include an indentation after closing the element
+
     """
     i = "\n" + level*spaces_per_level*" "
 
+    # ensure there's awlays some tail for the element passed in
+    if not element.tail:
+        element.tail = ""
+
     if len(element):
         if not element.text or not element.text.strip():
             element.text = i + spaces_per_level*" "
-        if not element.tail or not element.tail.strip():
+        if trailing_indent and (not element.tail or not element.tail.strip()):
             element.tail = i
         for sub_element in element:
             clean_indentation(sub_element, level+1, spaces_per_level)
         if not sub_element.tail or not sub_element.tail.strip():
             sub_element.tail = i
     else:
-        if level and (not element.tail or not element.tail.strip()):
+        if trailing_indent and level and (not element.tail or not element.tail.strip()):
             element.tail = i
 
 
diff --git a/openmc/material.py b/openmc/material.py
index c33596800..332f8c965 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -1449,7 +1449,7 @@ class Materials(cv.CheckedList):
         for material in self:
             material.make_isotropic_in_lab()
 
-    def _write_xml(self, file, header=True):
+    def _write_xml(self, file, header=True, level=0, spaces_per_level=2, trailing_indent=True):
         """Writes XML content of the materials to an open file handle.
 
         Parameters
@@ -1458,33 +1458,46 @@ class Materials(cv.CheckedList):
             Open file handle to write content into.
         header : bool
             Whether or not to write the XML header
+        level : int
+            Indentation level of materials element
+        spaces_per_level : int
+            Number of spaces per indentation
+        trailing_indentation : bool
+            Whether or not to write a trailing indentation for the materials element
+
         """
+        indentation = level*spaces_per_level*' '
         # Write the header and the opening tag for the root element.
         if header:
             file.write("<?xml version='1.0' encoding='utf-8'?>\n")
-        file.write('<materials>\n')
+        file.write(indentation+'<materials>\n')
 
         # Write the <cross_sections> element.
         if self.cross_sections is not None:
             element = ET.Element('cross_sections')
             element.text = str(self.cross_sections)
-            clean_indentation(element, level=1)
+            clean_indentation(element, level=level+1)
             element.tail = element.tail.strip(' ')
-            file.write('  ')
+            file.write((level+1)*spaces_per_level*' ')
             reorder_attributes(element)  # TODO: Remove when support is Python 3.8+
             ET.ElementTree(element).write(file, encoding='unicode')
 
         # Write the <material> elements.
         for material in sorted(self, key=lambda x: x.id):
             element = material.to_xml_element()
-            clean_indentation(element, level=1)
+            clean_indentation(element, level=level+1)
             element.tail = element.tail.strip(' ')
-            file.write('  ')
+            file.write((level+1)*spaces_per_level*' ')
             reorder_attributes(element)  # TODO: Remove when support is Python 3.8+
             ET.ElementTree(element).write(file, encoding='unicode')
 
         # Write the closing tag for the root element.
-        file.write('</materials>\n')
+        file.write(indentation+'</materials>\n')
+
+        # Write a trailing indentation for the next element
+        # at this level if needed
+        if trailing_indent:
+            file.write(indentation)
 
 
     def export_to_xml(self, path: PathLike = 'materials.xml'):
diff --git a/openmc/model/model.py b/openmc/model/model.py
index 15effd3e4..9c38d27c3 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -552,6 +552,9 @@ class Model:
         settings_element = self.settings.to_xml_element(memo)
         geometry_element = self.geometry.to_xml_element()
 
+        xml.clean_indentation(geometry_element, level=1)
+        xml.clean_indentation(settings_element, level=1)
+
         # If a materials collection was specified, export it. Otherwise, look
         # for all materials in the geometry and use that to automatically build
         # a collection.
@@ -567,16 +570,18 @@ class Model:
             fh.write("<model>\n")
             # Write the materials collection to the open XML file first.
             # This will write the XML header also
-            materials._write_xml(fh, False)
+            materials._write_xml(fh, False, level=1)
             # Write remaining elements as a tree
             ET.ElementTree(geometry_element).write(fh, encoding='unicode')
             ET.ElementTree(settings_element).write(fh, encoding='unicode')
 
             if self.tallies:
                 tallies_element = self.tallies.to_xml_element(memo)
+                xml.clean_indentation(tallies_element, level=1, trailing_indent=self.plots)
                 ET.ElementTree(tallies_element).write(fh, encoding='unicode')
             if self.plots:
                 plots_element = self.plots.to_xml_element()
+                xml.clean_indentation(plots_element, level=1, trailing_indent=False)
                 ET.ElementTree(plots_element).write(fh, encoding='unicode')
             fh.write("</model>\n")
 
diff --git a/tests/regression_tests/model_xml/inputs_true.dat b/tests/regression_tests/model_xml/inputs_true.dat
index 5aedbfa14..c40802631 100644
--- a/tests/regression_tests/model_xml/inputs_true.dat
+++ b/tests/regression_tests/model_xml/inputs_true.dat
@@ -1,38 +1,67 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
-<materials>
-  <material depletable="true" id="1">
-    <density units="g/cc" value="10.0" />
-    <nuclide ao="1.0" name="U235" />
-  </material>
-  <material id="2">
-    <density units="g/cc" value="0.1" />
-    <nuclide ao="0.1" name="H1" />
-  </material>
-</materials>
-<geometry>
-  <cell id="1" material="1" region="-1" universe="1" />
-  <cell id="2" material="2" region="1" universe="1" />
-  <cell id="3" fill="1" region="2 -3 4 -5 6 -8" rotation="10 20 30" universe="2" />
-  <cell id="4" fill="1" region="2 -3 4 -5 8 -7" translation="0 0 15" universe="2" />
-  <surface id="1" type="sphere" coeffs="1.0 0.0 0.0 5.0" />
-  <surface id="2" name="minimum x" type="x-plane" boundary="vacuum" coeffs="-7.5" />
-  <surface id="3" name="maximum x" type="x-plane" boundary="vacuum" coeffs="7.5" />
-  <surface id="4" name="minimum y" type="y-plane" boundary="vacuum" coeffs="-7.5" />
-  <surface id="5" name="maximum y" type="y-plane" boundary="vacuum" coeffs="7.5" />
-  <surface id="6" type="z-plane" boundary="vacuum" coeffs="-7.5" />
-  <surface id="7" type="z-plane" boundary="vacuum" coeffs="22.5" />
-  <surface id="8" type="z-plane" coeffs="7.5" />
-</geometry>
-<settings>
-  <run_mode>eigenvalue</run_mode>
-  <particles>10000</particles>
-  <batches>10</batches>
-  <inactive>5</inactive>
-  <source strength="1.0">
-    <space type="box">
-      <parameters>-4.0 -4.0 -4.0 4.0 4.0 4.0</parameters>
-    </space>
-  </source>
-</settings>
+  <materials>
+    <material id="6">
+      <density units="g/cm3" value="2.6989" />
+      <nuclide ao="1.0" name="Al27" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="12" material="void" region="-16 17 -18" universe="10" />
+    <cell id="13" material="6" region="-16 18 -19" universe="10" />
+    <cell id="14" material="void" region="~(-16 17 -19)" universe="10" />
+    <surface id="16" type="x-cylinder" boundary="vacuum" coeffs="0.0 0.0 1.0" />
+    <surface id="17" type="x-plane" boundary="vacuum" coeffs="-1.0" />
+    <surface id="18" type="x-plane" coeffs="1.0" />
+    <surface id="19" type="x-plane" boundary="vacuum" coeffs="1000000000.0" />
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>10000</particles>
+    <batches>1</batches>
+    <source strength="1.0">
+      <space type="point">
+        <parameters>0 0 0</parameters>
+      </space>
+      <angle type="monodirectional" reference_uvw="1.0 0.0 0.0" />
+      <energy type="discrete">
+        <parameters>14000000.0 1.0</parameters>
+      </energy>
+    </source>
+    <electron_treatment>ttb</electron_treatment>
+    <photon_transport>true</photon_transport>
+    <cutoff>
+      <energy_photon>1000.0</energy_photon>
+    </cutoff>
+  </settings>
+  <tallies>
+    <filter id="1" type="surface">
+      <bins>16</bins>
+    </filter>
+    <filter id="2" type="particle">
+      <bins>neutron photon electron positron</bins>
+    </filter>
+    <tally id="1">
+      <filters>1 2</filters>
+      <scores>current</scores>
+    </tally>
+    <tally id="2">
+      <filters>2</filters>
+      <nuclides>Al27 total</nuclides>
+      <scores>total (n,gamma)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="3">
+      <filters>2</filters>
+      <nuclides>Al27 total</nuclides>
+      <scores>total heating (n,gamma)</scores>
+      <estimator>collision</estimator>
+    </tally>
+    <tally id="4">
+      <filters>2</filters>
+      <nuclides>Al27 total</nuclides>
+      <scores>total heating (n,gamma)</scores>
+      <estimator>analog</estimator>
+    </tally>
+  </tallies>
 </model>

From 5d1ead2e6a88affe5900067412e0464171cba8e4 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Sat, 26 Nov 2022 00:46:12 -0600
Subject: [PATCH 1368/2654] Addressing some more PR comments. A couple of typo
 fixes too.

---
 openmc/_xml.py                                       | 2 +-
 openmc/model/model.py                                | 2 +-
 src/initialize.cpp                                   | 6 +-----
 tests/regression_tests/adj_cell_rotation/__init__.py | 2 --
 tests/regression_tests/energy_laws/__init__.py       | 1 -
 tests/regression_tests/lattice_multiple/__init__.py  | 1 -
 tests/regression_tests/model_xml/test.py             | 8 ++++----
 tests/regression_tests/photon_production/__init__.py | 1 -
 8 files changed, 7 insertions(+), 16 deletions(-)

diff --git a/openmc/_xml.py b/openmc/_xml.py
index b4e08c751..450c8a99b 100644
--- a/openmc/_xml.py
+++ b/openmc/_xml.py
@@ -11,7 +11,7 @@ def clean_indentation(element, level=0, spaces_per_level=2, trailing_indent=True
     spaces_per_level : int
         Number of spaces per indentation level (default 2)
     trailing_indent : bool
-        Whether or not to include an indentation after closing the element
+        Whether or not to add indentation after closing the element
 
     """
     i = "\n" + level*spaces_per_level*" "
diff --git a/openmc/model/model.py b/openmc/model/model.py
index 9c38d27c3..145a2151b 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -469,7 +469,7 @@ class Model:
             Whether or not to remove redundant surfaces from the geometry when
             exporting.
         filename : str
-            Name of the single XML file to create (only used :math:`separate_xmls` if False)
+            Name of the single XML file to create (only used :math:`separate_xmls` is False)
 
             .. versionadded:: 0.13.1
 
diff --git a/src/initialize.cpp b/src/initialize.cpp
index a6a6b5a77..212b2f7bd 100644
--- a/src/initialize.cpp
+++ b/src/initialize.cpp
@@ -359,11 +359,7 @@ bool read_model_xml() {
       fmt::format("No <materials> node present in the {} file.", xml_filename));
   }
 
-  // find materials node this object cannot be used after being passed to the
-  // cross section reading function below
-  auto materials_node = root.child("materials");
-  read_cross_sections_xml(materials_node);
-
+  read_cross_sections_xml(root.child("materials"));
   read_materials_xml(root.child("materials"));
 
   // Read geometry
diff --git a/tests/regression_tests/adj_cell_rotation/__init__.py b/tests/regression_tests/adj_cell_rotation/__init__.py
index 7efe44865..e69de29bb 100644
--- a/tests/regression_tests/adj_cell_rotation/__init__.py
+++ b/tests/regression_tests/adj_cell_rotation/__init__.py
@@ -1,2 +0,0 @@
-
-from .test import model
\ No newline at end of file
diff --git a/tests/regression_tests/energy_laws/__init__.py b/tests/regression_tests/energy_laws/__init__.py
index 29fbfcc0c..e69de29bb 100644
--- a/tests/regression_tests/energy_laws/__init__.py
+++ b/tests/regression_tests/energy_laws/__init__.py
@@ -1 +0,0 @@
-from .test import model
\ No newline at end of file
diff --git a/tests/regression_tests/lattice_multiple/__init__.py b/tests/regression_tests/lattice_multiple/__init__.py
index 29fbfcc0c..e69de29bb 100644
--- a/tests/regression_tests/lattice_multiple/__init__.py
+++ b/tests/regression_tests/lattice_multiple/__init__.py
@@ -1 +0,0 @@
-from .test import model
\ No newline at end of file
diff --git a/tests/regression_tests/model_xml/test.py b/tests/regression_tests/model_xml/test.py
index 0dc2cc289..52f67f76f 100644
--- a/tests/regression_tests/model_xml/test.py
+++ b/tests/regression_tests/model_xml/test.py
@@ -9,10 +9,10 @@ from tests.testing_harness import PyAPITestHarness, colorize
 
 # use a few models from other tests to make sure the same results are
 # produced when using a single model.xml file as input
-from ..adj_cell_rotation import model as adj_cell_rotation_model
-from ..lattice_multiple import model as lattice_mult_model
-from ..energy_laws import model as energy_laws_model
-from ..photon_production import model as photon_prod_model
+from ..adj_cell_rotation.test import model as adj_cell_rotation_model
+from ..lattice_multiple.test import model as lattice_mult_model
+from ..energy_laws.test import model as energy_laws_model
+from ..photon_production.test import model as photon_prod_model
 
 
 class ModelXMLTestHarness(PyAPITestHarness):
diff --git a/tests/regression_tests/photon_production/__init__.py b/tests/regression_tests/photon_production/__init__.py
index 29fbfcc0c..e69de29bb 100644
--- a/tests/regression_tests/photon_production/__init__.py
+++ b/tests/regression_tests/photon_production/__init__.py
@@ -1 +0,0 @@
-from .test import model
\ No newline at end of file

From e7f95b0c7a5fc0c1548183f38606ce158c2eb31c Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Mon, 28 Nov 2022 00:44:05 -0600
Subject: [PATCH 1369/2654] Docstring correction and a note about the recursion

---
 openmc/_xml.py | 4 +++-
 1 file changed, 3 insertions(+), 1 deletion(-)

diff --git a/openmc/_xml.py b/openmc/_xml.py
index 450c8a99b..6d298638d 100644
--- a/openmc/_xml.py
+++ b/openmc/_xml.py
@@ -1,6 +1,6 @@
 def clean_indentation(element, level=0, spaces_per_level=2, trailing_indent=True):
     """Set indentation of XML element and its sub-elements.
-    Copied and pastee from https://effbot.org/zone/element-lib.htm#prettyprint.
+    Copied and pasted from https://effbot.org/zone/element-lib.htm#prettyprint.
     It walks your tree and adds spaces and newlines so the tree is
     printed in a nice way.
 
@@ -26,6 +26,8 @@ def clean_indentation(element, level=0, spaces_per_level=2, trailing_indent=True
         if trailing_indent and (not element.tail or not element.tail.strip()):
             element.tail = i
         for sub_element in element:
+            # `trailing_indent` intentionally not passed to the recursive call.
+            # it only applies to the element for the initial of this function.
             clean_indentation(sub_element, level+1, spaces_per_level)
         if not sub_element.tail or not sub_element.tail.strip():
             sub_element.tail = i

From b3225be24d384ba834fab6f003ff7ba39e9d99b1 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Mon, 28 Nov 2022 20:03:42 -0600
Subject: [PATCH 1370/2654] Adding executor tests

---
 tests/unit_tests/test_model.py | 22 +++++++++++++++++++++-
 1 file changed, 21 insertions(+), 1 deletion(-)

diff --git a/tests/unit_tests/test_model.py b/tests/unit_tests/test_model.py
index 87557ddc5..5d4765d65 100644
--- a/tests/unit_tests/test_model.py
+++ b/tests/unit_tests/test_model.py
@@ -1,5 +1,6 @@
 from math import pi
 from pathlib import Path
+import os
 
 import numpy as np
 import pytest
@@ -546,4 +547,23 @@ def test_model_xml(run_in_tmpdir):
 
     # make sure we can also export this again to separate
     # XML files
-    new_model.export_to_xml(separate_xmls=True)
\ No newline at end of file
+    new_model.export_to_xml(separate_xmls=True)
+
+def test_model_exec(run_in_tmpdir):
+
+    pincell_model = openmc.examples.pwr_pin_cell()
+
+    pincell_model.export_to_xml(filename='pwr_pincell.xml', separate_xmls=False)
+
+    openmc.run(input_file='pwr_pincell.xml')
+
+    with pytest.raises(RuntimeError, match='ex-em-ell.xml'):
+        openmc.run(input_file='ex-em-ell.xml')
+
+    # test that a file in a different directory can be used
+    os.mkdir('inputs')
+    pincell_model.export_to_xml(directory='./inputs', filename='pincell.xml', separate_xmls=False)
+    openmc.run(input_file='./inputs/pincell.xml')
+
+    with pytest.raises(RuntimeError, match='input_dir'):
+        openmc.run(input_file='input_dir/pincell.xml')
\ No newline at end of file

From 72ff942226e8fb60801328a64530ad1cd94b1da0 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Mon, 28 Nov 2022 20:04:45 -0600
Subject: [PATCH 1371/2654] Checking RuntimeError message correctly

---
 tests/regression_tests/model_xml/test.py | 5 ++---
 1 file changed, 2 insertions(+), 3 deletions(-)

diff --git a/tests/regression_tests/model_xml/test.py b/tests/regression_tests/model_xml/test.py
index 52f67f76f..51c25a603 100644
--- a/tests/regression_tests/model_xml/test.py
+++ b/tests/regression_tests/model_xml/test.py
@@ -93,6 +93,5 @@ def test_input_arg(run_in_tmpdir):
 
     # now ensure we get an error for an incorrect filename,
     # even in the presence of other, valid XML files
-    with pytest.raises(RuntimeError) as execinfo:
-        openmc.run(input_file='ex-em-ell.xml')
-        assert 'ex-em-ell.xml' in execinfo.value
\ No newline at end of file
+    with pytest.raises(RuntimeError, match='ex-em-ell.xml'):
+        openmc.run(input_file='ex-em-ell.xml')
\ No newline at end of file

From 7f5d2a583932206bc681a8555d658334d74ebc9d Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Mon, 28 Nov 2022 23:54:26 -0600
Subject: [PATCH 1372/2654] Refactoring model_xml regression tests a bit and
 adding input checking

---
 .../adj_cell_rotation_inputs_true.dat         | 38 +++++++++++
 .../model_xml/energy_laws_inputs_true.dat     | 23 +++++++
 .../lattice_multiple_inputs_true.dat          | 53 +++++++++++++++
 .../photon_production_inputs_true.dat         | 67 +++++++++++++++++++
 tests/regression_tests/model_xml/test.py      | 42 ++++++------
 5 files changed, 201 insertions(+), 22 deletions(-)
 create mode 100644 tests/regression_tests/model_xml/adj_cell_rotation_inputs_true.dat
 create mode 100644 tests/regression_tests/model_xml/energy_laws_inputs_true.dat
 create mode 100644 tests/regression_tests/model_xml/lattice_multiple_inputs_true.dat
 create mode 100644 tests/regression_tests/model_xml/photon_production_inputs_true.dat

diff --git a/tests/regression_tests/model_xml/adj_cell_rotation_inputs_true.dat b/tests/regression_tests/model_xml/adj_cell_rotation_inputs_true.dat
new file mode 100644
index 000000000..3b14f304e
--- /dev/null
+++ b/tests/regression_tests/model_xml/adj_cell_rotation_inputs_true.dat
@@ -0,0 +1,38 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material depletable="true" id="1">
+      <density units="g/cc" value="10.0" />
+      <nuclide ao="1.0" name="U235" />
+    </material>
+    <material id="2">
+      <density units="g/cc" value="0.1" />
+      <nuclide ao="0.1" name="H1" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="-1" universe="1" />
+    <cell id="2" material="2" region="1" universe="1" />
+    <cell id="3" fill="1" region="2 -3 4 -5 6 -8" rotation="10 20 30" universe="2" />
+    <cell id="4" fill="1" region="2 -3 4 -5 8 -7" translation="0 0 15" universe="2" />
+    <surface id="1" type="sphere" coeffs="1.0 0.0 0.0 5.0" />
+    <surface id="2" name="minimum x" type="x-plane" boundary="vacuum" coeffs="-7.5" />
+    <surface id="3" name="maximum x" type="x-plane" boundary="vacuum" coeffs="7.5" />
+    <surface id="4" name="minimum y" type="y-plane" boundary="vacuum" coeffs="-7.5" />
+    <surface id="5" name="maximum y" type="y-plane" boundary="vacuum" coeffs="7.5" />
+    <surface id="6" type="z-plane" boundary="vacuum" coeffs="-7.5" />
+    <surface id="7" type="z-plane" boundary="vacuum" coeffs="22.5" />
+    <surface id="8" type="z-plane" coeffs="7.5" />
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>10000</particles>
+    <batches>10</batches>
+    <inactive>5</inactive>
+    <source strength="1.0">
+      <space type="box">
+        <parameters>-4.0 -4.0 -4.0 4.0 4.0 4.0</parameters>
+      </space>
+    </source>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/model_xml/energy_laws_inputs_true.dat b/tests/regression_tests/model_xml/energy_laws_inputs_true.dat
new file mode 100644
index 000000000..62485ff72
--- /dev/null
+++ b/tests/regression_tests/model_xml/energy_laws_inputs_true.dat
@@ -0,0 +1,23 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material depletable="true" id="1">
+      <density units="g/cm3" value="20.0" />
+      <nuclide ao="1.0" name="U233" />
+      <nuclide ao="1.0" name="Am244" />
+      <nuclide ao="1.0" name="H2" />
+      <nuclide ao="1.0" name="Na23" />
+      <nuclide ao="1.0" name="Ta181" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="-1" universe="1" />
+    <surface id="1" type="sphere" boundary="reflective" coeffs="0.0 0.0 0.0 100.0" />
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>1000</particles>
+    <batches>10</batches>
+    <inactive>5</inactive>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/model_xml/lattice_multiple_inputs_true.dat b/tests/regression_tests/model_xml/lattice_multiple_inputs_true.dat
new file mode 100644
index 000000000..d828b25f6
--- /dev/null
+++ b/tests/regression_tests/model_xml/lattice_multiple_inputs_true.dat
@@ -0,0 +1,53 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material depletable="true" id="1" name="UO2">
+      <density units="g/cm3" value="10.0" />
+      <nuclide ao="1.0" name="U235" />
+      <nuclide ao="2.0" name="O16" />
+    </material>
+    <material id="2" name="light water">
+      <density units="g/cm3" value="1.0" />
+      <nuclide ao="2.0" name="H1" />
+      <nuclide ao="1.0" name="O16" />
+      <sab name="c_H_in_H2O" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="-1" universe="1" />
+    <cell id="2" material="2" region="1" universe="1" />
+    <cell id="3" material="1" region="-2" universe="2" />
+    <cell id="4" material="2" region="2" universe="2" />
+    <cell id="5" fill="3" universe="4" />
+    <cell id="6" fill="5" region="3 -4 5 -6" universe="6" />
+    <lattice id="3">
+      <pitch>1.2 1.2</pitch>
+      <outer>1</outer>
+      <dimension>2 2</dimension>
+      <lower_left>-1.2 -1.2</lower_left>
+      <universes>
+2 1 
+1 1 </universes>
+    </lattice>
+    <lattice id="5">
+      <pitch>2.4 2.4</pitch>
+      <dimension>2 2</dimension>
+      <lower_left>-2.4 -2.4</lower_left>
+      <universes>
+4 4 
+4 4 </universes>
+    </lattice>
+    <surface id="1" type="z-cylinder" coeffs="0.0 0.0 0.4" />
+    <surface id="2" type="z-cylinder" coeffs="0.0 0.0 0.5" />
+    <surface id="3" name="minimum x" type="x-plane" boundary="reflective" coeffs="-2.4" />
+    <surface id="4" name="maximum x" type="x-plane" boundary="reflective" coeffs="2.4" />
+    <surface id="5" name="minimum y" type="y-plane" boundary="reflective" coeffs="-2.4" />
+    <surface id="6" name="maximum y" type="y-plane" boundary="reflective" coeffs="2.4" />
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>1000</particles>
+    <batches>10</batches>
+    <inactive>5</inactive>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/model_xml/photon_production_inputs_true.dat b/tests/regression_tests/model_xml/photon_production_inputs_true.dat
new file mode 100644
index 000000000..9e60033be
--- /dev/null
+++ b/tests/regression_tests/model_xml/photon_production_inputs_true.dat
@@ -0,0 +1,67 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material id="1">
+      <density units="g/cm3" value="2.6989" />
+      <nuclide ao="1.0" name="Al27" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="void" region="-1 2 -3" universe="1" />
+    <cell id="2" material="1" region="-1 3 -4" universe="1" />
+    <cell id="3" material="void" region="~(-1 2 -4)" universe="1" />
+    <surface id="1" type="x-cylinder" boundary="vacuum" coeffs="0.0 0.0 1.0" />
+    <surface id="2" type="x-plane" boundary="vacuum" coeffs="-1.0" />
+    <surface id="3" type="x-plane" coeffs="1.0" />
+    <surface id="4" type="x-plane" boundary="vacuum" coeffs="1000000000.0" />
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>10000</particles>
+    <batches>1</batches>
+    <source strength="1.0">
+      <space type="point">
+        <parameters>0 0 0</parameters>
+      </space>
+      <angle type="monodirectional" reference_uvw="1.0 0.0 0.0" />
+      <energy type="discrete">
+        <parameters>14000000.0 1.0</parameters>
+      </energy>
+    </source>
+    <electron_treatment>ttb</electron_treatment>
+    <photon_transport>true</photon_transport>
+    <cutoff>
+      <energy_photon>1000.0</energy_photon>
+    </cutoff>
+  </settings>
+  <tallies>
+    <filter id="1" type="surface">
+      <bins>1</bins>
+    </filter>
+    <filter id="2" type="particle">
+      <bins>neutron photon electron positron</bins>
+    </filter>
+    <tally id="1">
+      <filters>1 2</filters>
+      <scores>current</scores>
+    </tally>
+    <tally id="2">
+      <filters>2</filters>
+      <nuclides>Al27 total</nuclides>
+      <scores>total (n,gamma)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="3">
+      <filters>2</filters>
+      <nuclides>Al27 total</nuclides>
+      <scores>total heating (n,gamma)</scores>
+      <estimator>collision</estimator>
+    </tally>
+    <tally id="4">
+      <filters>2</filters>
+      <nuclides>Al27 total</nuclides>
+      <scores>total heating (n,gamma)</scores>
+      <estimator>analog</estimator>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/model_xml/test.py b/tests/regression_tests/model_xml/test.py
index 51c25a603..9da5438db 100644
--- a/tests/regression_tests/model_xml/test.py
+++ b/tests/regression_tests/model_xml/test.py
@@ -10,9 +10,9 @@ from tests.testing_harness import PyAPITestHarness, colorize
 # use a few models from other tests to make sure the same results are
 # produced when using a single model.xml file as input
 from ..adj_cell_rotation.test import model as adj_cell_rotation_model
-from ..lattice_multiple.test import model as lattice_mult_model
+from ..lattice_multiple.test import model as lattice_multiple_model
 from ..energy_laws.test import model as energy_laws_model
-from ..photon_production.test import model as photon_prod_model
+from ..photon_production.test import model as photon_production_model
 
 
 class ModelXMLTestHarness(PyAPITestHarness):
@@ -30,10 +30,10 @@ class ModelXMLTestHarness(PyAPITestHarness):
     def _get_inputs(self):
         return open('model.xml').read()
 
-    def _compare_inputs(self):
-        """Skip input comparisons for now
-        """
-        pass
+    # def _compare_inputs(self):
+    #     """Skip input comparisons for now
+    #     """
+    #     pass
 
     def _compare_results(self):
         """Make sure the current results agree with the reference."""
@@ -54,25 +54,23 @@ class ModelXMLTestHarness(PyAPITestHarness):
             os.remove('model.xml')
 
 
-models = [
-    'adj_cell_rotation_model',
-    'lattice_mult_model',
-    'energy_laws_model',
-    'photon_prod_model'
-]
-paths = [
-    '../adj_cell_rotation',
-    '../lattice_multiple',
-    '../energy_laws',
-    '../photon_production'
+test_names = [
+    'adj_cell_rotation',
+    'lattice_multiple',
+    'energy_laws',
+    'photon_production'
 ]
 
 
-@pytest.mark.parametrize("model, path", zip(models, paths))
-def test_model_xml(model, path, request):
-    inputs = path + "/inputs_true.dat"
-    results = path + "/results_true.dat"
-    harness = ModelXMLTestHarness(request.getfixturevalue(model), inputs, results)
+@pytest.mark.parametrize("test_name", test_names, ids=lambda test: test)
+def test_model_xml(test_name, request):
+    openmc.reset_auto_ids()
+
+    test_path = '../' + test_name
+    results = test_path + "/results_true.dat"
+    inputs = test_name + "_inputs_true.dat"
+    model_name = test_name + "_model"
+    harness = ModelXMLTestHarness(request.getfixturevalue(model_name), inputs, results)
     harness.main()
 
 def test_input_arg(run_in_tmpdir):

From 3f4a9eb7a2056f3136b00b82a814e934f52803e3 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Tue, 29 Nov 2022 01:19:38 -0600
Subject: [PATCH 1373/2654] Reordering geometry XML element attributes

---
 openmc/geometry.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/geometry.py b/openmc/geometry.py
index d036df9c7..afcae1d55 100644
--- a/openmc/geometry.py
+++ b/openmc/geometry.py
@@ -132,6 +132,7 @@ class Geometry:
 
         # Clean the indentation in the file to be user-readable
         xml.clean_indentation(element)
+        xml.reorder_attributes(element)  # TODO: Remove when support is Python 3.8+
 
         return element
 
@@ -157,7 +158,6 @@ class Geometry:
             p /= 'geometry.xml'
 
         # Write the XML Tree to the geometry.xml file
-        xml.reorder_attributes(root_element)  # TODO: Remove when support is Python 3.8+
         tree = ET.ElementTree(root_element)
         tree.write(str(p), xml_declaration=True, encoding='utf-8')
 

From 83cf6848d0f0fbe0a59798b333542daf3255c7e5 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Tue, 29 Nov 2022 11:11:06 -0600
Subject: [PATCH 1374/2654] Updating expected inputs with reordering

---
 .../adj_cell_rotation_inputs_true.dat         | 20 +++++++++----------
 .../model_xml/energy_laws_inputs_true.dat     |  2 +-
 .../lattice_multiple_inputs_true.dat          | 16 +++++++--------
 .../photon_production_inputs_true.dat         |  8 ++++----
 4 files changed, 23 insertions(+), 23 deletions(-)

diff --git a/tests/regression_tests/model_xml/adj_cell_rotation_inputs_true.dat b/tests/regression_tests/model_xml/adj_cell_rotation_inputs_true.dat
index 3b14f304e..1c4516f42 100644
--- a/tests/regression_tests/model_xml/adj_cell_rotation_inputs_true.dat
+++ b/tests/regression_tests/model_xml/adj_cell_rotation_inputs_true.dat
@@ -13,16 +13,16 @@
   <geometry>
     <cell id="1" material="1" region="-1" universe="1" />
     <cell id="2" material="2" region="1" universe="1" />
-    <cell id="3" fill="1" region="2 -3 4 -5 6 -8" rotation="10 20 30" universe="2" />
-    <cell id="4" fill="1" region="2 -3 4 -5 8 -7" translation="0 0 15" universe="2" />
-    <surface id="1" type="sphere" coeffs="1.0 0.0 0.0 5.0" />
-    <surface id="2" name="minimum x" type="x-plane" boundary="vacuum" coeffs="-7.5" />
-    <surface id="3" name="maximum x" type="x-plane" boundary="vacuum" coeffs="7.5" />
-    <surface id="4" name="minimum y" type="y-plane" boundary="vacuum" coeffs="-7.5" />
-    <surface id="5" name="maximum y" type="y-plane" boundary="vacuum" coeffs="7.5" />
-    <surface id="6" type="z-plane" boundary="vacuum" coeffs="-7.5" />
-    <surface id="7" type="z-plane" boundary="vacuum" coeffs="22.5" />
-    <surface id="8" type="z-plane" coeffs="7.5" />
+    <cell fill="1" id="3" region="2 -3 4 -5 6 -8" rotation="10 20 30" universe="2" />
+    <cell fill="1" id="4" region="2 -3 4 -5 8 -7" translation="0 0 15" universe="2" />
+    <surface coeffs="1.0 0.0 0.0 5.0" id="1" type="sphere" />
+    <surface boundary="vacuum" coeffs="-7.5" id="2" name="minimum x" type="x-plane" />
+    <surface boundary="vacuum" coeffs="7.5" id="3" name="maximum x" type="x-plane" />
+    <surface boundary="vacuum" coeffs="-7.5" id="4" name="minimum y" type="y-plane" />
+    <surface boundary="vacuum" coeffs="7.5" id="5" name="maximum y" type="y-plane" />
+    <surface boundary="vacuum" coeffs="-7.5" id="6" type="z-plane" />
+    <surface boundary="vacuum" coeffs="22.5" id="7" type="z-plane" />
+    <surface coeffs="7.5" id="8" type="z-plane" />
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
diff --git a/tests/regression_tests/model_xml/energy_laws_inputs_true.dat b/tests/regression_tests/model_xml/energy_laws_inputs_true.dat
index 62485ff72..c89ccc97e 100644
--- a/tests/regression_tests/model_xml/energy_laws_inputs_true.dat
+++ b/tests/regression_tests/model_xml/energy_laws_inputs_true.dat
@@ -12,7 +12,7 @@
   </materials>
   <geometry>
     <cell id="1" material="1" region="-1" universe="1" />
-    <surface id="1" type="sphere" boundary="reflective" coeffs="0.0 0.0 0.0 100.0" />
+    <surface boundary="reflective" coeffs="0.0 0.0 0.0 100.0" id="1" type="sphere" />
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
diff --git a/tests/regression_tests/model_xml/lattice_multiple_inputs_true.dat b/tests/regression_tests/model_xml/lattice_multiple_inputs_true.dat
index d828b25f6..0eed3c201 100644
--- a/tests/regression_tests/model_xml/lattice_multiple_inputs_true.dat
+++ b/tests/regression_tests/model_xml/lattice_multiple_inputs_true.dat
@@ -18,8 +18,8 @@
     <cell id="2" material="2" region="1" universe="1" />
     <cell id="3" material="1" region="-2" universe="2" />
     <cell id="4" material="2" region="2" universe="2" />
-    <cell id="5" fill="3" universe="4" />
-    <cell id="6" fill="5" region="3 -4 5 -6" universe="6" />
+    <cell fill="3" id="5" universe="4" />
+    <cell fill="5" id="6" region="3 -4 5 -6" universe="6" />
     <lattice id="3">
       <pitch>1.2 1.2</pitch>
       <outer>1</outer>
@@ -37,12 +37,12 @@
 4 4 
 4 4 </universes>
     </lattice>
-    <surface id="1" type="z-cylinder" coeffs="0.0 0.0 0.4" />
-    <surface id="2" type="z-cylinder" coeffs="0.0 0.0 0.5" />
-    <surface id="3" name="minimum x" type="x-plane" boundary="reflective" coeffs="-2.4" />
-    <surface id="4" name="maximum x" type="x-plane" boundary="reflective" coeffs="2.4" />
-    <surface id="5" name="minimum y" type="y-plane" boundary="reflective" coeffs="-2.4" />
-    <surface id="6" name="maximum y" type="y-plane" boundary="reflective" coeffs="2.4" />
+    <surface coeffs="0.0 0.0 0.4" id="1" type="z-cylinder" />
+    <surface coeffs="0.0 0.0 0.5" id="2" type="z-cylinder" />
+    <surface boundary="reflective" coeffs="-2.4" id="3" name="minimum x" type="x-plane" />
+    <surface boundary="reflective" coeffs="2.4" id="4" name="maximum x" type="x-plane" />
+    <surface boundary="reflective" coeffs="-2.4" id="5" name="minimum y" type="y-plane" />
+    <surface boundary="reflective" coeffs="2.4" id="6" name="maximum y" type="y-plane" />
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
diff --git a/tests/regression_tests/model_xml/photon_production_inputs_true.dat b/tests/regression_tests/model_xml/photon_production_inputs_true.dat
index 9e60033be..e4fe9a585 100644
--- a/tests/regression_tests/model_xml/photon_production_inputs_true.dat
+++ b/tests/regression_tests/model_xml/photon_production_inputs_true.dat
@@ -10,10 +10,10 @@
     <cell id="1" material="void" region="-1 2 -3" universe="1" />
     <cell id="2" material="1" region="-1 3 -4" universe="1" />
     <cell id="3" material="void" region="~(-1 2 -4)" universe="1" />
-    <surface id="1" type="x-cylinder" boundary="vacuum" coeffs="0.0 0.0 1.0" />
-    <surface id="2" type="x-plane" boundary="vacuum" coeffs="-1.0" />
-    <surface id="3" type="x-plane" coeffs="1.0" />
-    <surface id="4" type="x-plane" boundary="vacuum" coeffs="1000000000.0" />
+    <surface boundary="vacuum" coeffs="0.0 0.0 1.0" id="1" type="x-cylinder" />
+    <surface boundary="vacuum" coeffs="-1.0" id="2" type="x-plane" />
+    <surface coeffs="1.0" id="3" type="x-plane" />
+    <surface boundary="vacuum" coeffs="1000000000.0" id="4" type="x-plane" />
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>

From 2c27d1065a1e583a3778aa493f70a36724b46306 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Tue, 29 Nov 2022 13:45:10 -0600
Subject: [PATCH 1375/2654] Moving other relevant XML reorder calls and
 updating expected input again.

---
 openmc/settings.py                                              | 2 +-
 openmc/tallies.py                                               | 2 +-
 .../model_xml/photon_production_inputs_true.dat                 | 2 +-
 3 files changed, 3 insertions(+), 3 deletions(-)

diff --git a/openmc/settings.py b/openmc/settings.py
index 74ec0d54a..3c1c8c7f5 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -1598,6 +1598,7 @@ class Settings:
 
         # Clean the indentation in the file to be user-readable
         clean_indentation(element)
+        reorder_attributes(element)  # TODO: Remove when support is Python 3.8+
 
         return element
 
@@ -1618,7 +1619,6 @@ class Settings:
             p /= 'settings.xml'
 
         # Write the XML Tree to the settings.xml file
-        reorder_attributes(root_element)  # TODO: Remove when support is Python 3.8+
         tree = ET.ElementTree(root_element)
         tree.write(str(p), xml_declaration=True, encoding='utf-8')
 
diff --git a/openmc/tallies.py b/openmc/tallies.py
index e37f04e25..e17e7c99d 100644
--- a/openmc/tallies.py
+++ b/openmc/tallies.py
@@ -3166,6 +3166,7 @@ class Tallies(cv.CheckedList):
 
         # Clean the indentation in the file to be user-readable
         clean_indentation(element)
+        reorder_attributes(element)  # TODO: Remove when support is Python 3.8+
 
         return element
 
@@ -3187,7 +3188,6 @@ class Tallies(cv.CheckedList):
             p /= 'tallies.xml'
 
         # Write the XML Tree to the tallies.xml file
-        reorder_attributes(root_element)  # TODO: Remove when support is Python 3.8+
         tree = ET.ElementTree(root_element)
         tree.write(str(p), xml_declaration=True, encoding='utf-8')
 
diff --git a/tests/regression_tests/model_xml/photon_production_inputs_true.dat b/tests/regression_tests/model_xml/photon_production_inputs_true.dat
index e4fe9a585..0b2b43468 100644
--- a/tests/regression_tests/model_xml/photon_production_inputs_true.dat
+++ b/tests/regression_tests/model_xml/photon_production_inputs_true.dat
@@ -23,7 +23,7 @@
       <space type="point">
         <parameters>0 0 0</parameters>
       </space>
-      <angle type="monodirectional" reference_uvw="1.0 0.0 0.0" />
+      <angle reference_uvw="1.0 0.0 0.0" type="monodirectional" />
       <energy type="discrete">
         <parameters>14000000.0 1.0</parameters>
       </energy>

From cd7c3bf6ba62cd019c378a3a22880e24e847f8ef Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Tue, 6 Dec 2022 12:58:32 -0600
Subject: [PATCH 1376/2654] Updates to import/export methods suggested by
 @paulromano

---
 openmc/model/model.py | 43 ++++++++++++++++++++++++++-----------------
 1 file changed, 26 insertions(+), 17 deletions(-)

diff --git a/openmc/model/model.py b/openmc/model/model.py
index 145a2151b..6ca6f72b6 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -205,15 +205,19 @@ class Model:
                 self._plots.append(plot)
 
     @classmethod
-    def from_xml(cls, *args, path='model.xml', separate_xmls=True, **kwargs):
+    def from_xml(cls, *args, separate_xmls=True, **kwargs):
         """Generate geometry from XML file
 
         Parameters
         ----------
-        path : str, optional
-            Path to model XML file
+        args : list
+            Positional arguments to be forwarded to
+            :func:`Model.from_separate_xmls` or :func:`Model.from_model_xml`.
         separate_xmls : bool
-            Whether or not to read from a single or separate XML files
+            Whether or not to read from a single or separate XML files.
+        kwargs : dict, optional
+            Keyword arguments to be forwarded to
+            :func:`Model.from_separate_xmls` or :func:`Model.from_model_xml`.
 
         Returns
         -------
@@ -221,7 +225,7 @@ class Model:
             Geometry object
 
         """
-        if separate_xmls or not Path(path).exists():
+        if separate_xmls:
             return cls.from_separate_xmls(*args, **kwargs)
         else:
             return cls.from_model_xml(*args, **kwargs)
@@ -457,19 +461,19 @@ class Model:
                 depletion_operator.cleanup_when_done = True
                 depletion_operator.finalize()
 
-    def export_to_xml(self, directory='.', remove_surfs=False, separate_xmls=True, filename='model.xml'):
+    def export_to_xml(self, directory='.', remove_surfs=False, separate_xmls=True, path='model.xml'):
         """Export model to an XML file(s).
 
         Parameters
         ----------
         directory : str
             Directory to write XML files to. If it doesn't exist already, it
-            will be created.
+            will be created. Only used if :math:`separate_xmls` is True.
         remove_surfs : bool
             Whether or not to remove redundant surfaces from the geometry when
             exporting.
-        filename : str
-            Name of the single XML file to create (only used :math:`separate_xmls` is False)
+        path : str
+            Path to an output filename or directory. Only used if :math:`separate_xmls` is False.
 
             .. versionadded:: 0.13.1
 
@@ -477,13 +481,9 @@ class Model:
             Whether or not to write a single model.xml file or many XML files.
         """
         if separate_xmls:
-            if filename != 'model.xml':
-                warnings.warn('Export filename parameter {filename} is ignored '
-                              'because the model is being written to separate XML files.')
             self._export_to_separate_xmls(directory, remove_surfs)
         else:
-            filename = Path(directory) / Path(filename)
-            self._export_to_single_xml(filename, remove_surfs)
+            self._export_to_single_xml(path, remove_surfs)
 
     def _export_to_separate_xmls(self, directory='.', remove_surfs=False):
         """Export model to separate XML files.
@@ -530,16 +530,25 @@ class Model:
         directory : str
             Directory to write the model.xml file to. If it doesn't exist already, it
             will be created.
+        path : str or Pathlike
+            Location of the XML file to write. Can be a directory or file path.
         remove_surfs : bool
             Whether or not to remove redundant surfaces from the geometry when
             exporting.
 
             .. versionadded:: 0.13.1
         """
-        # Create directory if required
         xml_path = Path(path)
-        if not xml_path.parent.exists:
-            raise RuntimeError(f'The directory "{xml_path}" does not exist.')
+        # if the provided path doesn't end with the XML extension, assume the
+        # input path is meant to be a directory. If the directory does not
+        # exist, create it and place a 'model.xml' file there.
+        if not str(xml_path).endswith('.xml') and not xml_path.exists():
+            os.mkdir(xml_path)
+            xml_path /= 'model.xml'
+        # if this is an XML file location and the file's parent directory does
+        # not exist, create it before continuing
+        elif not xml_path.parent.exists():
+            os.mkdir(xml_path.parent)
 
         if remove_surfs:
             warnings.warn("remove_surfs kwarg will be deprecated soon, please "

From ef2f690e3d4c7bb1f700f189bdaad88689fa5b16 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Tue, 6 Dec 2022 12:59:08 -0600
Subject: [PATCH 1377/2654] Updating handling of single XML input to leverage
 existing settings::path_input

---
 src/initialize.cpp | 42 +++++++++++++++++++-----------------------
 src/settings.cpp   |  3 ++-
 2 files changed, 21 insertions(+), 24 deletions(-)

diff --git a/src/initialize.cpp b/src/initialize.cpp
index 212b2f7bd..c0333e01c 100644
--- a/src/initialize.cpp
+++ b/src/initialize.cpp
@@ -181,9 +181,6 @@ int parse_command_line(int argc, char* argv[])
 
       } else if (arg == "-e" || arg == "--event") {
         settings::event_based = true;
-      } else if (arg == "-i" || arg == "--input") {
-        i += 1;
-        args_xml_filename = std::string(argv[i]);
       } else if (arg == "-r" || arg == "--restart") {
         i += 1;
         // Check what type of file this is
@@ -295,27 +292,24 @@ int parse_command_line(int argc, char* argv[])
 }
 
 bool read_model_xml() {
-  // get verbosity from settings node
+  std::string model_filename = settings::path_input;
 
-  std::string xml_filename = "model.xml";
-  if (!args_xml_filename.empty()) xml_filename = args_xml_filename;
-  std::string model_filename = settings::path_input + xml_filename;
-
-  // check that the model file exists. If it does not and a custom filename was
-  // supplied by the user report an error
-  if (!file_exists(model_filename)) {
-    if (!args_xml_filename.empty()) {
-      fatal_error(fmt::format("The input file '{}' specified on the command line does not exist", args_xml_filename));
-    }
-    return false;
+  // if the path input isn't an existing file, assume its a directory
+  // and append the default model.xml filename
+  if (!file_exists(settings::path_input)) {
+    model_filename += "/model.xml";
+    if (!file_exists(model_filename))
+      return false;
   }
 
-  // attempt to open the document
+  // try to process the path input as an XML file
   pugi::xml_document doc;
-  auto result = doc.load_file(model_filename.c_str());
-  if (!result) {
-    fatal_error("Error processing model.xml file.");
+  // if the input is a file, try to read it
+  if (!doc.load_file(model_filename.c_str())) {
+    fatal_error(fmt::format(
+      "Error reading from single XML input file '{}'", model_filename));
   }
+
   pugi::xml_node root = doc.document_element();
 
   // Read settings
@@ -348,15 +342,17 @@ bool read_model_xml() {
   auto other_inputs = {"materials.xml", "geometry.xml", "settings.xml", "tallies.xml", "plots.xml"};
   for (const auto& input : other_inputs) {
     if (file_exists(settings::path_input + input)) {
-      warning((fmt::format("Other XML file input(s) are present. These file will be ignored in favor of the {} file.", xml_filename)));
+      warning((fmt::format("Other XML file input(s) are present. These file "
+                           "will be ignored in favor of the {} file.",
+        model_filename)));
       break;
     }
   }
 
   // Read materials and cross sections
   if (!check_for_node(root, "materials")) {
-    fatal_error(
-      fmt::format("No <materials> node present in the {} file.", xml_filename));
+    fatal_error(fmt::format(
+      "No <materials> node present in the {} file.", model_filename));
   }
 
   read_cross_sections_xml(root.child("materials"));
@@ -365,7 +361,7 @@ bool read_model_xml() {
   // Read geometry
   if (!check_for_node(root, "geometry")) {
     fatal_error(fmt::format(
-      "No <geometry> node present in the model.xml_file.", xml_filename));
+      "No <geometry> node present in the model.xml_file.", model_filename));
   }
   read_geometry_xml(root.child("geometry"));
 
diff --git a/src/settings.cpp b/src/settings.cpp
index 3048862e3..74d45543d 100644
--- a/src/settings.cpp
+++ b/src/settings.cpp
@@ -222,7 +222,8 @@ void read_settings_xml() {
         fmt::format("Settings XML file '{}' does not exist! In order "
                     "to run OpenMC, you first need a set of input files; at a "
                     "minimum, this "
-                    "includes settings.xml, geometry.xml, and materials.xml. "
+                    "includes settings.xml, geometry.xml, and materials.xml "
+                    "or a single XML file containing all of these files. "
                     "Please consult "
                     "the user's guide at https://docs.openmc.org for further "
                     "information.",

From 574845b18b1de2d2fa9fa8415d7770e18d411bd6 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Tue, 6 Dec 2022 13:09:04 -0600
Subject: [PATCH 1378/2654] Moving Model.from_separate_xmls back to
 Model.from_xml.

---
 openmc/model/model.py | 78 +++++++++++++++----------------------------
 1 file changed, 26 insertions(+), 52 deletions(-)

diff --git a/openmc/model/model.py b/openmc/model/model.py
index 6ca6f72b6..34cc085b8 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -205,30 +205,40 @@ class Model:
                 self._plots.append(plot)
 
     @classmethod
-    def from_xml(cls, *args, separate_xmls=True, **kwargs):
-        """Generate geometry from XML file
+    def from_xml(cls, geometry='geometry.xml', materials='materials.xml',
+                 settings='settings.xml', tallies='tallies.xml',
+                 plots='plots.xml'):
+        """Create model from existing XML files
 
         Parameters
         ----------
-        args : list
-            Positional arguments to be forwarded to
-            :func:`Model.from_separate_xmls` or :func:`Model.from_model_xml`.
-        separate_xmls : bool
-            Whether or not to read from a single or separate XML files.
-        kwargs : dict, optional
-            Keyword arguments to be forwarded to
-            :func:`Model.from_separate_xmls` or :func:`Model.from_model_xml`.
+        geometry : str
+            Path to geometry.xml file
+        materials : str
+            Path to materials.xml file
+        settings : str
+            Path to settings.xml file
+        tallies : str
+            Path to tallies.xml file
+
+            .. versionadded:: 0.13.0
+        plots : str
+            Path to plots.xml file
+
+            .. versionadded:: 0.13.0
 
         Returns
         -------
-        openmc.Geometry
-            Geometry object
+        openmc.model.Model
+            Model created from XML files
 
         """
-        if separate_xmls:
-            return cls.from_separate_xmls(*args, **kwargs)
-        else:
-            return cls.from_model_xml(*args, **kwargs)
+        materials = openmc.Materials.from_xml(materials)
+        geometry = openmc.Geometry.from_xml(geometry, materials)
+        settings = openmc.Settings.from_xml(settings)
+        tallies = openmc.Tallies.from_xml(tallies) if Path(tallies).exists() else None
+        plots = openmc.Plots.from_xml(plots) if Path(plots).exists() else None
+        return cls(geometry, materials, settings, tallies, plots)
 
     @classmethod
     def from_model_xml(cls, path='model.xml'):
@@ -265,42 +275,6 @@ class Model:
 
         return model
 
-    @classmethod
-    def from_separate_xmls(cls, geometry='geometry.xml', materials='materials.xml',
-                 settings='settings.xml', tallies='tallies.xml',
-                 plots='plots.xml'):
-        """Create model from existing XML files
-
-        Parameters
-        ----------
-        geometry : str
-            Path to geometry.xml file
-        materials : str
-            Path to materials.xml file
-        settings : str
-            Path to settings.xml file
-        tallies : str
-            Path to tallies.xml file
-
-            .. versionadded:: 0.13.0
-        plots : str
-            Path to plots.xml file
-
-            .. versionadded:: 0.13.0
-
-        Returns
-        -------
-        openmc.model.Model
-            Model created from XML files
-
-        """
-        materials = openmc.Materials.from_xml(materials)
-        geometry = openmc.Geometry.from_xml(geometry, materials)
-        settings = openmc.Settings.from_xml(settings)
-        tallies = openmc.Tallies.from_xml(tallies) if Path(tallies).exists() else None
-        plots = openmc.Plots.from_xml(plots) if Path(plots).exists() else None
-        return cls(geometry, materials, settings, tallies, plots)
-
     def init_lib(self, threads=None, geometry_debug=False, restart_file=None,
                  tracks=False, output=True, event_based=None, intracomm=None):
         """Initializes the model in memory via the C API

From 270331aff956b95b1193e121c545345e64d3716c Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Tue, 6 Dec 2022 14:39:44 -0600
Subject: [PATCH 1379/2654] Adding function to check if a path is a directory

---
 include/openmc/file_utils.h | 16 ++++++++++++++++
 1 file changed, 16 insertions(+)

diff --git a/include/openmc/file_utils.h b/include/openmc/file_utils.h
index f9c23468d..ae3a26e94 100644
--- a/include/openmc/file_utils.h
+++ b/include/openmc/file_utils.h
@@ -3,15 +3,31 @@
 
 #include <fstream> // for ifstream
 #include <string>
+#include <sys/stat.h>
 
 namespace openmc {
 
+// TODO: replace with std::filesysem when switch to C++17 is made
+//! Determine if a path is a directory
+//! \param[in] path Path to check
+//! \return Whether the path is a directory
+inline bool is_dir(const std::string& path) {
+  struct stat s;
+  if (stat(path.c_str(), &s) != 0) return false;
+
+  return s.st_mode & S_IFDIR;
+}
+
 //! Determine if a file exists
 //! \param[in] filename Path to file
 //! \return Whether file exists
 inline bool file_exists(const std::string& filename)
 {
+  // rule out file being a directory path
+  if (is_dir(filename)) return false;
+
   std::ifstream s {filename};
+  s.seekg(0, std::ios::beg);
   return s.good();
 }
 

From bc1791d367b307656ce31bdfdf7c4b794def44ad Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Tue, 6 Dec 2022 14:40:02 -0600
Subject: [PATCH 1380/2654] Updates to simplify model filename checking

---
 include/openmc/initialize.h |  2 --
 src/initialize.cpp          | 30 ++++++++++++++++++------------
 2 files changed, 18 insertions(+), 14 deletions(-)

diff --git a/include/openmc/initialize.h b/include/openmc/initialize.h
index c37208e5e..a9b8b336f 100644
--- a/include/openmc/initialize.h
+++ b/include/openmc/initialize.h
@@ -21,8 +21,6 @@ void read_separate_xml_files();
 //! Write some output that occurs right after initialization
 void initial_output();
 
-
-std::string args_xml_filename {};
 } // namespace openmc
 
 #endif // OPENMC_INITIALIZE_H
diff --git a/src/initialize.cpp b/src/initialize.cpp
index c0333e01c..b75f410a1 100644
--- a/src/initialize.cpp
+++ b/src/initialize.cpp
@@ -282,7 +282,12 @@ int parse_command_line(int argc, char* argv[])
   if (argc > 1 && last_flag < argc - 1) {
     settings::path_input = std::string(argv[last_flag + 1]);
 
-    // Add slash at end of directory if it isn't there
+    // check that the path is either a valid directory or file
+    if (!is_dir(settings::path_input) && !file_exists(settings::path_input)) {
+      fatal_error(fmt::format("The specified path '{}' does not exist.", settings::path_input));
+    }
+
+    // Add slash at end of directory if it isn't the
     if (!ends_with(settings::path_input, "/")) {
       settings::path_input += "/";
     }
@@ -294,13 +299,17 @@ int parse_command_line(int argc, char* argv[])
 bool read_model_xml() {
   std::string model_filename = settings::path_input;
 
-  // if the path input isn't an existing file, assume its a directory
-  // and append the default model.xml filename
-  if (!file_exists(settings::path_input)) {
-    model_filename += "/model.xml";
-    if (!file_exists(model_filename))
-      return false;
-  }
+  // some string cleanup
+  // a trailing "/" is applied to path_input if it's present,
+  // remove it for the first attempt at reading the input file
+  if (ends_with(model_filename, "/")) model_filename.pop_back();
+  if (model_filename.length() == 0) model_filename = ".";
+
+  // if the current filename is a directory, append the default model filename
+  if (is_dir(model_filename)) model_filename += "/model.xml";
+
+  // if this file doesn't exist, stop here
+  if (!file_exists(model_filename)) return false;
 
   // try to process the path input as an XML file
   pugi::xml_document doc;
@@ -330,10 +339,7 @@ bool read_model_xml() {
       title();
   }
 
-  if (!args_xml_filename.empty())
-  write_message(fmt::format("Reaging user-specified input '{}'...", args_xml_filename), 5);
-  else
-  write_message("Reading model XML file...", 5);
+  write_message(fmt::format("Reading model XML file '{}' ...", model_filename), 5);
 
   read_settings_xml(settings_root);
 

From 5634d8318ad110ee20f79d69ab277f7134a0d277 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Tue, 6 Dec 2022 14:40:59 -0600
Subject: [PATCH 1381/2654] Changing name of input argument for Python executor

---
 openmc/executor.py | 35 ++++++++++++++++++-----------------
 1 file changed, 18 insertions(+), 17 deletions(-)

diff --git a/openmc/executor.py b/openmc/executor.py
index b14313213..9267366e8 100644
--- a/openmc/executor.py
+++ b/openmc/executor.py
@@ -9,7 +9,7 @@ from .plots import _get_plot_image
 def _process_CLI_arguments(volume=False, geometry_debug=False, particles=None,
                            plot=False, restart_file=None, threads=None,
                            tracks=False, event_based=None,
-                           openmc_exec='openmc', mpi_args=None, input_file=None):
+                           openmc_exec='openmc', mpi_args=None, path_input=None):
     """Converts user-readable flags in to command-line arguments to be run with
     the OpenMC executable via subprocess.
 
@@ -42,7 +42,7 @@ def _process_CLI_arguments(volume=False, geometry_debug=False, particles=None,
     mpi_args : list of str, optional
         MPI execute command and any additional MPI arguments to pass,
         e.g. ['mpiexec', '-n', '8'].
-    input_file : str or Pathlike
+    path_input : str or Pathlike
         Name of a single XML input file for the OpenMC executable to read.
 
     .. versionadded:: 0.13.0
@@ -84,8 +84,8 @@ def _process_CLI_arguments(volume=False, geometry_debug=False, particles=None,
     if mpi_args is not None:
         args = mpi_args + args
 
-    if input_file is not None:
-        args += ['-i', input_file]
+    if path_input is not None:
+        args += [path_input]
 
     return args
 
@@ -95,6 +95,7 @@ def _run(args, output, cwd):
     p = subprocess.Popen(args, cwd=cwd, stdout=subprocess.PIPE,
                          stderr=subprocess.STDOUT, universal_newlines=True)
 
+    print(args)
     # Capture and re-print OpenMC output in real-time
     lines = []
     while True:
@@ -123,7 +124,7 @@ def _run(args, output, cwd):
         raise RuntimeError(error_msg)
 
 
-def plot_geometry(output=True, openmc_exec='openmc', cwd='.', input_file=None):
+def plot_geometry(output=True, openmc_exec='openmc', cwd='.', path_input=None):
     """Run OpenMC in plotting mode
 
     Parameters
@@ -134,7 +135,7 @@ def plot_geometry(output=True, openmc_exec='openmc', cwd='.', input_file=None):
         Path to OpenMC executable
     cwd : str, optional
         Path to working directory to run in
-    input_file : str
+    path_input : str
         Name of a single XML input file for the OpenMC executable to read.
 
     Raises
@@ -144,12 +145,12 @@ def plot_geometry(output=True, openmc_exec='openmc', cwd='.', input_file=None):
 
     """
     args = [openmc_exec, '-p']
-    if input_file is not None:
-        args += ['-i', input_file]
+    if path_input is not None:
+        args += ['-i', path_input]
     _run([openmc_exec, '-p'], output, cwd)
 
 
-def plot_inline(plots, openmc_exec='openmc', cwd='.', input_file=None):
+def plot_inline(plots, openmc_exec='openmc', cwd='.', path_input=None):
     """Display plots inline in a Jupyter notebook.
 
     .. versionchanged:: 0.13.0
@@ -165,7 +166,7 @@ def plot_inline(plots, openmc_exec='openmc', cwd='.', input_file=None):
         Path to OpenMC executable
     cwd : str, optional
         Path to working directory to run in
-    input_file : str
+    path_input : str
         Name of a single XML input file for the OpenMC executable to read.
 
     Raises
@@ -183,7 +184,7 @@ def plot_inline(plots, openmc_exec='openmc', cwd='.', input_file=None):
     openmc.Plots(plots).export_to_xml(cwd)
 
     # Run OpenMC in geometry plotting mode
-    plot_geometry(False, openmc_exec, cwd, input_file)
+    plot_geometry(False, openmc_exec, cwd, path_input)
 
     if plots is not None:
         images = [_get_plot_image(p, cwd) for p in plots]
@@ -192,7 +193,7 @@ def plot_inline(plots, openmc_exec='openmc', cwd='.', input_file=None):
 
 def calculate_volumes(threads=None, output=True, cwd='.',
                       openmc_exec='openmc', mpi_args=None,
-                      input_file=None):
+                      path_input=None):
     """Run stochastic volume calculations in OpenMC.
 
     This function runs OpenMC in stochastic volume calculation mode. To specify
@@ -223,7 +224,7 @@ def calculate_volumes(threads=None, output=True, cwd='.',
     cwd : str, optional
         Path to working directory to run in. Defaults to the current working
         directory.
-    input_file : str or Pathlike
+    path_input : str or Pathlike
         Name of a single XML input file for the OpenMC executable to read.
 
     Raises
@@ -239,7 +240,7 @@ def calculate_volumes(threads=None, output=True, cwd='.',
 
     args = _process_CLI_arguments(volume=True, threads=threads,
                                   openmc_exec=openmc_exec, mpi_args=mpi_args,
-                                  input_file=input_file)
+                                  path_input=path_input)
 
     _run(args, output, cwd)
 
@@ -247,7 +248,7 @@ def calculate_volumes(threads=None, output=True, cwd='.',
 def run(particles=None, threads=None, geometry_debug=False,
         restart_file=None, tracks=False, output=True, cwd='.',
         openmc_exec='openmc', mpi_args=None, event_based=False,
-        input_file=None):
+        path_input=None):
     """Run an OpenMC simulation.
 
     Parameters
@@ -282,7 +283,7 @@ def run(particles=None, threads=None, geometry_debug=False,
 
         .. versionadded:: 0.12
 
-    input_file : str or Pathlike
+    path_input : str or Pathlike
         Name of a single XML input file for the OpenMC executable to read.
 
     Raises
@@ -296,6 +297,6 @@ def run(particles=None, threads=None, geometry_debug=False,
         volume=False, geometry_debug=geometry_debug, particles=particles,
         restart_file=restart_file, threads=threads, tracks=tracks,
         event_based=event_based, openmc_exec=openmc_exec, mpi_args=mpi_args,
-        input_file=input_file)
+        path_input=path_input)
 
     _run(args, output, cwd)

From d639d1dc1b2796e9fae599d74283b9f125e3801a Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Tue, 6 Dec 2022 14:41:11 -0600
Subject: [PATCH 1382/2654] Docstring correction

---
 openmc/model/model.py | 1 -
 1 file changed, 1 deletion(-)

diff --git a/openmc/model/model.py b/openmc/model/model.py
index 34cc085b8..a7a6f2d7d 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -450,7 +450,6 @@ class Model:
             Path to an output filename or directory. Only used if :math:`separate_xmls` is False.
 
             .. versionadded:: 0.13.1
-
         separate_xmls : bool
             Whether or not to write a single model.xml file or many XML files.
         """

From 939adbe70e2c73e2d503260bc5a912812d1b0087 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Tue, 6 Dec 2022 14:41:26 -0600
Subject: [PATCH 1383/2654] Updating tests to reflect changes to API

---
 tests/regression_tests/model_xml/test.py | 12 +++++++++---
 tests/unit_tests/test_model.py           | 14 +++++++-------
 2 files changed, 16 insertions(+), 10 deletions(-)

diff --git a/tests/regression_tests/model_xml/test.py b/tests/regression_tests/model_xml/test.py
index 9da5438db..8aa9e5c2e 100644
--- a/tests/regression_tests/model_xml/test.py
+++ b/tests/regression_tests/model_xml/test.py
@@ -1,6 +1,8 @@
 from difflib import unified_diff
+import glob
 import filecmp
 import os
+from pathlib import Path
 
 import openmc
 import pytest
@@ -83,13 +85,17 @@ def test_input_arg(run_in_tmpdir):
     pincell.export_to_xml(separate_xmls=True)
     openmc.run()
 
+    # make sure the executable isn't falling back on the separate XMLs
+    [os.remove(f) for f in glob.glob('*.xml')]
     # now export to a single XML file with a custom name
-    pincell.export_to_xml(filename='pincell.xml', separate_xmls=False)
+    pincell.export_to_xml(path='pincell.xml', separate_xmls=False)
+    assert Path('pincell.xml').exists()
 
     # run by specifying that single file
-    openmc.run(input_file='pincell.xml')
+    openmc.run(path_input='pincell.xml')
 
     # now ensure we get an error for an incorrect filename,
     # even in the presence of other, valid XML files
+    pincell.export_to_xml(separate_xmls=True)
     with pytest.raises(RuntimeError, match='ex-em-ell.xml'):
-        openmc.run(input_file='ex-em-ell.xml')
\ No newline at end of file
+        openmc.run(path_input='ex-em-ell.xml')
\ No newline at end of file
diff --git a/tests/unit_tests/test_model.py b/tests/unit_tests/test_model.py
index 5d4765d65..11a88d76c 100644
--- a/tests/unit_tests/test_model.py
+++ b/tests/unit_tests/test_model.py
@@ -543,7 +543,7 @@ def test_model_xml(run_in_tmpdir):
 
     # now write and read a model.xml file
     pwr_model.export_to_xml(separate_xmls=False)
-    new_model = openmc.Model.from_xml(separate_xmls=False)
+    new_model = openmc.Model.from_model_xml()
 
     # make sure we can also export this again to separate
     # XML files
@@ -553,17 +553,17 @@ def test_model_exec(run_in_tmpdir):
 
     pincell_model = openmc.examples.pwr_pin_cell()
 
-    pincell_model.export_to_xml(filename='pwr_pincell.xml', separate_xmls=False)
+    pincell_model.export_to_xml(path='pwr_pincell.xml', separate_xmls=False)
 
-    openmc.run(input_file='pwr_pincell.xml')
+    openmc.run(path_input='pwr_pincell.xml')
 
     with pytest.raises(RuntimeError, match='ex-em-ell.xml'):
-        openmc.run(input_file='ex-em-ell.xml')
+        openmc.run(path_input='ex-em-ell.xml')
 
     # test that a file in a different directory can be used
     os.mkdir('inputs')
-    pincell_model.export_to_xml(directory='./inputs', filename='pincell.xml', separate_xmls=False)
-    openmc.run(input_file='./inputs/pincell.xml')
+    pincell_model.export_to_xml(path='./inputs/pincell.xml', separate_xmls=False)
+    openmc.run(path_input='./inputs/pincell.xml')
 
     with pytest.raises(RuntimeError, match='input_dir'):
-        openmc.run(input_file='input_dir/pincell.xml')
\ No newline at end of file
+        openmc.run(path_input='input_dir/pincell.xml')
\ No newline at end of file

From 7fdfed22f37e2c50913ba96adce55da98daf4c40 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Tue, 6 Dec 2022 21:49:46 -0600
Subject: [PATCH 1384/2654] Some cleanup of file utils

---
 include/openmc/file_utils.h | 3 +--
 1 file changed, 1 insertion(+), 2 deletions(-)

diff --git a/include/openmc/file_utils.h b/include/openmc/file_utils.h
index ae3a26e94..439af6ee0 100644
--- a/include/openmc/file_utils.h
+++ b/include/openmc/file_utils.h
@@ -7,7 +7,7 @@
 
 namespace openmc {
 
-// TODO: replace with std::filesysem when switch to C++17 is made
+// TODO: replace with std::filesystem when switch to C++17 is made
 //! Determine if a path is a directory
 //! \param[in] path Path to check
 //! \return Whether the path is a directory
@@ -27,7 +27,6 @@ inline bool file_exists(const std::string& filename)
   if (is_dir(filename)) return false;
 
   std::ifstream s {filename};
-  s.seekg(0, std::ios::beg);
   return s.good();
 }
 

From 55d77cf06c86726d9ebaf7abcb8de232b01af505 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Tue, 6 Dec 2022 21:50:08 -0600
Subject: [PATCH 1385/2654] Small improvements to read_model_xml

---
 src/initialize.cpp | 14 ++++++++------
 1 file changed, 8 insertions(+), 6 deletions(-)

diff --git a/src/initialize.cpp b/src/initialize.cpp
index b75f410a1..041712d5a 100644
--- a/src/initialize.cpp
+++ b/src/initialize.cpp
@@ -284,7 +284,9 @@ int parse_command_line(int argc, char* argv[])
 
     // check that the path is either a valid directory or file
     if (!is_dir(settings::path_input) && !file_exists(settings::path_input)) {
-      fatal_error(fmt::format("The specified path '{}' does not exist.", settings::path_input));
+      fatal_error(fmt::format(
+        "The path specified to the OpenMC executable '{}' does not exist.",
+        settings::path_input));
     }
 
     // Add slash at end of directory if it isn't the
@@ -297,13 +299,14 @@ int parse_command_line(int argc, char* argv[])
 }
 
 bool read_model_xml() {
-  std::string model_filename = settings::path_input;
+  std::string model_filename =
+    settings::path_input.empty() ? "." : settings::path_input;
 
   // some string cleanup
-  // a trailing "/" is applied to path_input if it's present,
+  // a trailing "/" is applied to path_input if it's specified,
   // remove it for the first attempt at reading the input file
-  if (ends_with(model_filename, "/")) model_filename.pop_back();
-  if (model_filename.length() == 0) model_filename = ".";
+  if (ends_with(model_filename, "/"))
+    model_filename.pop_back();
 
   // if the current filename is a directory, append the default model filename
   if (is_dir(model_filename)) model_filename += "/model.xml";
@@ -313,7 +316,6 @@ bool read_model_xml() {
 
   // try to process the path input as an XML file
   pugi::xml_document doc;
-  // if the input is a file, try to read it
   if (!doc.load_file(model_filename.c_str())) {
     fatal_error(fmt::format(
       "Error reading from single XML input file '{}'", model_filename));

From 7873b4d6c1bfb983a7ec4c87ad29b492d4bbb088 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Tue, 6 Dec 2022 21:50:49 -0600
Subject: [PATCH 1386/2654] Update tests/regression_tests/model_xml/test.py

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 tests/regression_tests/model_xml/test.py | 5 -----
 1 file changed, 5 deletions(-)

diff --git a/tests/regression_tests/model_xml/test.py b/tests/regression_tests/model_xml/test.py
index 8aa9e5c2e..d040f4649 100644
--- a/tests/regression_tests/model_xml/test.py
+++ b/tests/regression_tests/model_xml/test.py
@@ -32,11 +32,6 @@ class ModelXMLTestHarness(PyAPITestHarness):
     def _get_inputs(self):
         return open('model.xml').read()
 
-    # def _compare_inputs(self):
-    #     """Skip input comparisons for now
-    #     """
-    #     pass
-
     def _compare_results(self):
         """Make sure the current results agree with the reference."""
         compare = filecmp.cmp('results_test.dat', self.results_true)

From f2c28706a6eaf2206da5ff73867c279946b55f4b Mon Sep 17 00:00:00 2001
From: Thomas Kittelmann <tkittel@users.noreply.github.com>
Date: Wed, 7 Dec 2022 10:12:23 +0100
Subject: [PATCH 1387/2654] Apply suggestions from code review

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 CMakeLists.txt                          |  2 --
 docs/source/usersguide/materials.rst    | 14 ++++----
 openmc/material.py                      | 43 +++++++++++++------------
 tests/regression_tests/ncrystal/test.py | 29 ++++++++---------
 tools/ci/gha-install.py                 |  4 +--
 tools/ci/gha-script.sh                  |  6 ++--
 6 files changed, 47 insertions(+), 51 deletions(-)

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 2815230d4..5c4d489e3 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -497,8 +497,6 @@ if(OPENMC_USE_NCRYSTAL)
   target_link_libraries(libopenmc NCrystal::NCrystal)
 endif()
 
-
-
 #===============================================================================
 # openmc executable
 #===============================================================================
diff --git a/docs/source/usersguide/materials.rst b/docs/source/usersguide/materials.rst
index a3c05f421..fbf9effd8 100644
--- a/docs/source/usersguide/materials.rst
+++ b/docs/source/usersguide/materials.rst
@@ -101,19 +101,17 @@ you would need to add hydrogen and oxygen to a material and then assign the
 
 .. _usersguide_naming:
 
-------------------
+-------------------------
 Adding NCrystal materials
-------------------
+-------------------------
 
 Additional support for thermal scattering can be added by using NCrystal_.
 The :meth:`Material.from_ncrystal` class method generates a :class:`openmc.Material` object from
 an `NCrystal configuration string <https://github.com/mctools/ncrystal/wiki/Using-NCrystal#uniform-material-configuration-syntax>`_.
-Temperature, material composition and density are passed from the configuration string
+Temperature, material composition, and density are passed from the configuration string
 and the `NCMAT file <https://github.com/mctools/ncrystal/wiki/NCMAT-format>`_
-that define the material, e.g:
+that define the material, e.g.::
 
-::
-   
    mat = openmc.Material.from_ncrystal('Al_sg225.ncmat;temp=300K')
 
 defines a material containing polycrystalline alumnium,
@@ -126,12 +124,12 @@ defines a material containing polycrystalline alumnium,
 
 defines an oriented germanium single crystal with 40 arcsec mosaicity.
 
-NCrystal only handles low energy neutron interactions. Other interaction are
+NCrystal only handles low energy neutron interactions. Other interactions are
 provided by standard ACE files. NCrystal_ comes with a `predefined library 
 <https://github.com/mctools/ncrystal/wiki/Data-library>`_ but more materials can
 be added by creating NCMAT files or on-the-fly in the configuration string.
 
-.. warning:: Currently, NCrystal_ materials cannot be modified after created. 
+.. warning:: Currently, NCrystal_ materials cannot be modified after they are created. 
              Density, temperature and composition should be defined in the 
              configuration string or the NCMAT file.
 
diff --git a/openmc/material.py b/openmc/material.py
index de4a22cb8..298731c92 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -336,11 +336,12 @@ class Material(IDManagerMixin):
 
     @classmethod
     def from_ncrystal(cls, cfg, material_id=None, name=''):
-        """Create material from NCrystal configuration string. Density,
-        temperature, and material composition, and (ultimately) thermal neutron
-        scattering, will be automatically be provided by NCrystal based on this
-        string. The name and material_id parameters are simply passed on to the
-        Material constructor.
+        """Create material from NCrystal configuration string.
+        
+        Density, temperature, and material composition, and (ultimately) thermal
+        neutron scattering will be automatically be provided by NCrystal based
+        on this string. The name and material_id parameters are simply passed on
+        to the Material constructor.
 
         Parameters
         ----------
@@ -363,41 +364,41 @@ class Material(IDManagerMixin):
         import NCrystal
         nc_mat = NCrystal.createInfo(cfg)
 
-        def openmc_natabund( Z ):
+        def openmc_natabund(Z):
             #nc_mat.getFlattenedComposition might need natural abundancies.
             #This call-back function is used so NCrystal can flatten composition
             #using OpenMC's natural abundancies. In practice this function will
             #only get invoked in the unlikely case where a material is specified
             #by referring both to natural elements and specific isotopes of the
             #same element.
-            elem_name = openmc.data.ATOMIC_SYMBOL.get( Z, None )
+            elem_name = openmc.data.ATOMIC_SYMBOL.get(Z)
             if not elem_name:
                 raise ValueError( f'Element with Z={Z} is not known' )
-            l = []
-            for iso_name,abund in openmc.data.isotopes( elem_name ):
-                l.append( ( int(iso_name[ len(elem_name) : ]), abund ) )
-            return l
+            return [
+                (int(iso_name[len(elem_name):]), abund)
+                for iso_name, abund in openmc.data.isotopes(elem_name)
+            ]
 
-        flat_compos = nc_mat.getFlattenedComposition( preferNaturalElements = True,
-                                                      naturalAbundProvider = openmc_natabund )
+        flat_compos = nc_mat.getFlattenedComposition(preferNaturalElements = True,
+                                                      naturalAbundProvider=openmc_natabund)
 
         # Create the Material
-        material = cls( material_id = material_id,
-                        name = name,
-                        temperature = nc_mat.getTemperature() )
+        material = cls(material_id=material_id,
+                       name=name,
+                       temperature=nc_mat.getTemperature())
 
         for Z, A_vals in flat_compos:
-            elemname = openmc.data.ATOMIC_SYMBOL.get(Z,None)
+            elemname = openmc.data.ATOMIC_SYMBOL.get(Z)
             if not elemname:
                 raise ValueError(f'Element with Z={Z} is not known')
             for A, frac in A_vals:
                 if A:
-                    material.add_nuclide( elemname + str(A), frac, 'ao' )
+                    material.add_nuclide(f'{elemname}{A}', frac)
                 else:
-                    material.add_element( elemname, frac, 'ao' )
+                    material.add_element(elemname, frac)
 
-        material.set_density( 'g/cm3', nc_mat.getDensity() )
-        material._ncrystal_cfg = NCrystal.normaliseCfg( cfg )
+        material.set_density('g/cm3', nc_mat.getDensity())
+        material._ncrystal_cfg = NCrystal.normaliseCfg(cfg)
 
         return material
 
diff --git a/tests/regression_tests/ncrystal/test.py b/tests/regression_tests/ncrystal/test.py
index 0a47d634d..3137515d4 100644
--- a/tests/regression_tests/ncrystal/test.py
+++ b/tests/regression_tests/ncrystal/test.py
@@ -10,7 +10,7 @@ pytestmark = pytest.mark.skipif(
     reason="NCrystal materials are not enabled.")
 
 def compute_angular_distribution(cfg, E0, N):
-    """Return a openmc.model.Model() object for a monoenergetic pencil
+    """Return an openmc.Model() object for a monoenergetic pencil
      beam hitting a 1 mm sphere filled with the material defined by
      the cfg string, and compute the angular distribution"""
 
@@ -23,17 +23,16 @@ def compute_angular_distribution(cfg, E0, N):
 
     sample_sphere = openmc.Sphere(r=0.1)
     outer_sphere = openmc.Sphere(r=100, boundary_type="vacuum")
-    cell1 = openmc.Cell(region= -sample_sphere, fill=m1)
-    cell2_region= +sample_sphere&-outer_sphere
-    cell2 = openmc.Cell(region= cell2_region, fill=None)
-    uni1 = openmc.Universe(cells=[cell1, cell2])
-    geometry = openmc.Geometry(uni1)
+    cell1 = openmc.Cell(region=-sample_sphere, fill=m1)
+    cell2_region= +sample_sphere & -outer_sphere
+    cell2 = openmc.Cell(region=cell2_region, fill=None)
+    geometry = openmc.Geometry([cell1, cell2])
 
     # Source definition
 
     source = openmc.Source()
-    source.space = openmc.stats.Point(xyz = (0,0,-20))
-    source.angle = openmc.stats.Monodirectional(reference_uvw = (0,0,1))
+    source.space = openmc.stats.Point((0, 0, -20))
+    source.angle = openmc.stats.Monodirectional(reference_uvw=(0, 0, 1))
     source.energy = openmc.stats.Discrete([E0], [1.0])
 
     # Execution settings
@@ -48,13 +47,13 @@ def compute_angular_distribution(cfg, E0, N):
 
     tally1 = openmc.Tally(name="angular distribution")
     tally1.scores = ["current"]
-    filter1 = openmc.filter.SurfaceFilter(sample_sphere)
-    filter2 = openmc.filter.PolarFilter(np.linspace(0,np.pi,180+1))
-    filter3 = openmc.filter.CellFromFilter(cell1)
+    filter1 = openmc.SurfaceFilter(sample_sphere)
+    filter2 = openmc.PolarFilter(np.linspace(0, np.pi, 180+1))
+    filter3 = openmc.CellFromFilter(cell1)
     tally1.filters = [filter1, filter2, filter3]
     tallies = openmc.Tallies([tally1])
 
-    return openmc.model.Model(geometry, materials, settings, tallies)
+    return openmc.Model(geometry, materials, settings, tallies)
 
 
 class NCrystalTest(PyAPITestHarness):
@@ -62,9 +61,9 @@ class NCrystalTest(PyAPITestHarness):
         """Digest info in the statepoint and return as a string."""
 
         # Read the statepoint file.
-        sp = openmc.StatePoint(self._sp_name)
-        tal = sp.get_tally(name='angular distribution')
-        df = tal.get_pandas_dataframe()
+        with openmc.StatePoint(self._sp_name) as sp:
+            tal = sp.get_tally(name='angular distribution')
+            df = tal.get_pandas_dataframe()
         return df.to_string()
 
 def test_ncrystal():
diff --git a/tools/ci/gha-install.py b/tools/ci/gha-install.py
index f5779c935..ac10bb3f6 100644
--- a/tools/ci/gha-install.py
+++ b/tools/ci/gha-install.py
@@ -56,8 +56,8 @@ def install(omp=False, mpi=False, phdf5=False, dagmc=False, libmesh=False, ncrys
 
     if ncrystal:
         cmake_cmd.append('-DOPENMC_USE_NCRYSTAL=ON')
-        ncrystal_cmake_path = os.environ.get('HOME')+'/ncrystal_inst/lib/cmake'
-        cmake_cmd.append('-DCMAKE_PREFIX_PATH=' + ncrystal_cmake_path)
+        ncrystal_cmake_path = os.environ.get('HOME') + '/ncrystal_inst/lib/cmake'
+        cmake_cmd.append(f'-DCMAKE_PREFIX_PATH={ncrystal_cmake_path}')
 
     # Build in coverage mode for coverage testing
     cmake_cmd.append('-DOPENMC_ENABLE_COVERAGE=on')
diff --git a/tools/ci/gha-script.sh b/tools/ci/gha-script.sh
index 85fdef49f..1f1c3a1eb 100755
--- a/tools/ci/gha-script.sh
+++ b/tools/ci/gha-script.sh
@@ -16,9 +16,9 @@ fi
 
 # Check NCrystal installation
 if [[ $NCRYSTAL = 'y' ]]; then
-    # Change environmental variables
-    eval $( "${HOME}/ncrystal_inst/bin/ncrystal-config" --setup )
-    nctool --test
+  # Change environmental variables
+  eval $( "${HOME}/ncrystal_inst/bin/ncrystal-config" --setup )
+  nctool --test
 fi
 
 # Run regression and unit tests

From a86e74f59a27236a4705ab0b4dc8c79736cd2c56 Mon Sep 17 00:00:00 2001
From: Thomas Kittelmann <thomas.kittelmann@ess.eu>
Date: Wed, 7 Dec 2022 12:51:31 +0100
Subject: [PATCH 1388/2654] Rename compute_angular_distribution to
 pencil_beam_model

---
 tests/regression_tests/ncrystal/test.py | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/tests/regression_tests/ncrystal/test.py b/tests/regression_tests/ncrystal/test.py
index 3137515d4..2a789dac7 100644
--- a/tests/regression_tests/ncrystal/test.py
+++ b/tests/regression_tests/ncrystal/test.py
@@ -9,7 +9,7 @@ pytestmark = pytest.mark.skipif(
     not openmc.lib._ncrystal_enabled(),
     reason="NCrystal materials are not enabled.")
 
-def compute_angular_distribution(cfg, E0, N):
+def pencil_beam_model(cfg, E0, N):
     """Return an openmc.Model() object for a monoenergetic pencil
      beam hitting a 1 mm sphere filled with the material defined by
      the cfg string, and compute the angular distribution"""
@@ -71,6 +71,6 @@ def test_ncrystal():
     T = 293.6 # K
     E0 = 0.012 # eV
     cfg = 'Al_sg225.ncmat'
-    test = compute_angular_distribution(cfg, E0, NParticles)
+    test = pencil_beam_model(cfg, E0, NParticles)
     harness = NCrystalTest('statepoint.10.h5', model=test)
     harness.main()

From ef13643f297dfe030c644d7a776fd85be54afdaa Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Wed, 7 Dec 2022 08:28:13 -0600
Subject: [PATCH 1389/2654] Some housekeeping in the Python classes

---
 openmc/model/model.py |  8 ++------
 openmc/settings.py    | 38 ++++++++++++++++++++++++++------------
 2 files changed, 28 insertions(+), 18 deletions(-)

diff --git a/openmc/model/model.py b/openmc/model/model.py
index a7a6f2d7d..1fdd12730 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -496,13 +496,10 @@ class Model:
             self.plots.export_to_xml(d)
 
     def _export_to_single_xml(self, path='model.xml', remove_surfs=False):
-        """Export model to XML files.
+        """Export model to a single XML file.
 
         Parameters
         ----------
-        directory : str
-            Directory to write the model.xml file to. If it doesn't exist already, it
-            will be created.
         path : str or Pathlike
             Location of the XML file to write. Can be a directory or file path.
         remove_surfs : bool
@@ -530,8 +527,7 @@ class Model:
             # Can be used to modify tallies in case any surfaces are redundant
             redundant_surfaces = self.geometry.remove_redundant_surfaces()
 
-        memo = set()
-        settings_element = self.settings.to_xml_element(memo)
+        settings_element = self.settings.to_xml_element()
         geometry_element = self.geometry.to_xml_element()
 
         xml.clean_indentation(geometry_element, level=1)
diff --git a/openmc/settings.py b/openmc/settings.py
index 3c1c8c7f5..3f56f729f 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -1073,7 +1073,7 @@ class Settings:
                 subelement = ET.SubElement(element, key)
                 subelement.text = str(value)
 
-    def _create_entropy_mesh_subelement(self, root, memo=None):
+    def _create_entropy_mesh_subelement(self, root, mesh_memo=None):
         if self.entropy_mesh is not None:
             # use default heuristic for entropy mesh if not set by user
             if self.entropy_mesh.dimension is None:
@@ -1085,13 +1085,20 @@ class Settings:
                     d = len(self.entropy_mesh.lower_left)
                     self.entropy_mesh.dimension = (n,)*d
 
+            # add mesh ID to this element
+            subelement = ET.SubElement(root, "entropy_mesh")
+            subelement.text = str(self.entropy_mesh.id)
+
+            # If this mesh has already been written outside the
+            # settings element, skip writing it again
+            if mesh_memo and self.entropy_mesh.id in mesh_memo:
+                return
+
             # See if a <mesh> element already exists -- if not, add it
             path = f"./mesh[@id='{self.entropy_mesh.id}']"
             if root.find(path) is None:
                 root.append(self.entropy_mesh.to_xml_element())
-
-            subelement = ET.SubElement(root, "entropy_mesh")
-            subelement.text = str(self.entropy_mesh.id)
+                if mesh_memo is not None: mesh_memo.add(self.entropy_mesh.id)
 
     def _create_trigger_subelement(self, root):
         if self._trigger_active is not None:
@@ -1207,20 +1214,21 @@ class Settings:
             elem = ET.SubElement(root, "write_initial_source")
             elem.text = str(self._write_initial_source).lower()
 
-    def _create_weight_windows_subelement(self, root, memo=None):
+    def _create_weight_windows_subelement(self, root, mesh_memo=None):
         for ww in self._weight_windows:
             # Add weight window information
             root.append(ww.to_xml_element())
 
-            # check the memo for a mesh
-            if memo and ww.mesh.id in memo:
+            # if this mesh has already been written,
+            # skip writing the mesh element
+            if mesh_memo and ww.mesh.id in mesh_memo:
                 continue
 
             # See if a <mesh> element already exists -- if not, add it
             path = f"./mesh[@id='{ww.mesh.id}']"
             if root.find(path) is None:
                 root.append(ww.mesh.to_xml_element())
-                if memo is not None: memo.add(ww.mesh.id)
+                if mesh_memo is not None: mesh_memo.add(ww.mesh.id)
 
         if self._weight_windows_on is not None:
             elem = ET.SubElement(root, "weight_windows_on")
@@ -1544,10 +1552,16 @@ class Settings:
         if text is not None:
             self.max_tracks = int(text)
 
-    def to_xml_element(self, memo=None):
+    def to_xml_element(self, mesh_memo=None):
         """Create a 'settings' element to be written to an XML file.
-        """
 
+        Parameters
+        ----------
+        mesh_memo : set of ints
+            A set of mesh IDs to keep track of whether a mesh has already been written.
+        """
+        # create a memo object if one isn't passed in already
+        mesh_memo = mesh_memo if mesh_memo else set()
         # Reset xml element tree
         element = ET.Element("settings")
 
@@ -1574,7 +1588,7 @@ class Settings:
         self._create_seed_subelement(element)
         self._create_survival_biasing_subelement(element)
         self._create_cutoff_subelement(element)
-        self._create_entropy_mesh_subelement(element, memo)
+        self._create_entropy_mesh_subelement(element, mesh_memo)
         self._create_trigger_subelement(element)
         self._create_no_reduce_subelement(element)
         self._create_verbosity_subelement(element)
@@ -1592,7 +1606,7 @@ class Settings:
         self._create_material_cell_offsets_subelement(element)
         self._create_log_grid_bins_subelement(element)
         self._create_write_initial_source_subelement(element)
-        self._create_weight_windows_subelement(element, memo)
+        self._create_weight_windows_subelement(element, mesh_memo)
         self._create_max_splits_subelement(element)
         self._create_max_tracks_subelement(element)
 

From 9c942db45eaca790dc0f7f142b801381d2574daa Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Wed, 7 Dec 2022 10:10:22 -0600
Subject: [PATCH 1390/2654] Correct use of mesh memo in single XML export

---
 openmc/model/model.py | 6 ++++--
 1 file changed, 4 insertions(+), 2 deletions(-)

diff --git a/openmc/model/model.py b/openmc/model/model.py
index 1fdd12730..a54cd6076 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -527,7 +527,9 @@ class Model:
             # Can be used to modify tallies in case any surfaces are redundant
             redundant_surfaces = self.geometry.remove_redundant_surfaces()
 
-        settings_element = self.settings.to_xml_element()
+        # provide a memo to track which meshes have been written
+        mesh_memo = set()
+        settings_element = self.settings.to_xml_element(mesh_memo)
         geometry_element = self.geometry.to_xml_element()
 
         xml.clean_indentation(geometry_element, level=1)
@@ -554,7 +556,7 @@ class Model:
             ET.ElementTree(settings_element).write(fh, encoding='unicode')
 
             if self.tallies:
-                tallies_element = self.tallies.to_xml_element(memo)
+                tallies_element = self.tallies.to_xml_element(mesh_memo)
                 xml.clean_indentation(tallies_element, level=1, trailing_indent=self.plots)
                 ET.ElementTree(tallies_element).write(fh, encoding='unicode')
             if self.plots:

From 916863f82ae304ff6f936701cbb058c5e7c2583a Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Wed, 7 Dec 2022 11:02:10 -0600
Subject: [PATCH 1391/2654] Renaming and docstring/comment updates

---
 include/openmc/file_utils.h   | 8 +++++---
 include/openmc/geometry_aux.h | 2 +-
 openmc/settings.py            | 2 --
 src/initialize.cpp            | 6 ++++--
 4 files changed, 10 insertions(+), 8 deletions(-)

diff --git a/include/openmc/file_utils.h b/include/openmc/file_utils.h
index 439af6ee0..cb52b33c8 100644
--- a/include/openmc/file_utils.h
+++ b/include/openmc/file_utils.h
@@ -11,7 +11,8 @@ namespace openmc {
 //! Determine if a path is a directory
 //! \param[in] path Path to check
 //! \return Whether the path is a directory
-inline bool is_dir(const std::string& path) {
+inline bool dir_exists(const std::string& path)
+{
   struct stat s;
   if (stat(path.c_str(), &s) != 0) return false;
 
@@ -23,8 +24,9 @@ inline bool is_dir(const std::string& path) {
 //! \return Whether file exists
 inline bool file_exists(const std::string& filename)
 {
-  // rule out file being a directory path
-  if (is_dir(filename)) return false;
+  // rule out file being a path to a directory
+  if (dir_exists(filename))
+    return false;
 
   std::ifstream s {filename};
   return s.good();
diff --git a/include/openmc/geometry_aux.h b/include/openmc/geometry_aux.h
index a4c506c31..cf62debc0 100644
--- a/include/openmc/geometry_aux.h
+++ b/include/openmc/geometry_aux.h
@@ -24,7 +24,7 @@ extern std::unordered_map<int32_t, int32_t> universe_level_counts;
 void read_geometry_xml();
 
 //! Read geometry from XML node
-//! \param[in]  root node of geometry XML element
+//! \param[in] root node of geometry XML element
 void read_geometry_xml(pugi::xml_node root);
 
 //==============================================================================
diff --git a/openmc/settings.py b/openmc/settings.py
index 3f56f729f..294aea7a3 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -1560,8 +1560,6 @@ class Settings:
         mesh_memo : set of ints
             A set of mesh IDs to keep track of whether a mesh has already been written.
         """
-        # create a memo object if one isn't passed in already
-        mesh_memo = mesh_memo if mesh_memo else set()
         # Reset xml element tree
         element = ET.Element("settings")
 
diff --git a/src/initialize.cpp b/src/initialize.cpp
index 041712d5a..3b332c3b2 100644
--- a/src/initialize.cpp
+++ b/src/initialize.cpp
@@ -283,7 +283,8 @@ int parse_command_line(int argc, char* argv[])
     settings::path_input = std::string(argv[last_flag + 1]);
 
     // check that the path is either a valid directory or file
-    if (!is_dir(settings::path_input) && !file_exists(settings::path_input)) {
+    if (!dir_exists(settings::path_input) &&
+        !file_exists(settings::path_input)) {
       fatal_error(fmt::format(
         "The path specified to the OpenMC executable '{}' does not exist.",
         settings::path_input));
@@ -309,7 +310,8 @@ bool read_model_xml() {
     model_filename.pop_back();
 
   // if the current filename is a directory, append the default model filename
-  if (is_dir(model_filename)) model_filename += "/model.xml";
+  if (dir_exists(model_filename))
+    model_filename += "/model.xml";
 
   // if this file doesn't exist, stop here
   if (!file_exists(model_filename)) return false;

From 145594ebb8697ff2c711b6a8f57abbfedfebf8c7 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Mon, 12 Dec 2022 20:23:49 -0600
Subject: [PATCH 1392/2654] Apply @paulromano suggestions from code review

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/_xml.py                           | 2 +-
 openmc/executor.py                       | 3 +--
 openmc/material.py                       | 1 -
 openmc/model/model.py                    | 2 +-
 src/initialize.cpp                       | 4 ++--
 tests/regression_tests/model_xml/test.py | 3 ++-
 6 files changed, 7 insertions(+), 8 deletions(-)

diff --git a/openmc/_xml.py b/openmc/_xml.py
index 6d298638d..aeaeb45b5 100644
--- a/openmc/_xml.py
+++ b/openmc/_xml.py
@@ -16,7 +16,7 @@ def clean_indentation(element, level=0, spaces_per_level=2, trailing_indent=True
     """
     i = "\n" + level*spaces_per_level*" "
 
-    # ensure there's awlays some tail for the element passed in
+    # ensure there's always some tail for the element passed in
     if not element.tail:
         element.tail = ""
 
diff --git a/openmc/executor.py b/openmc/executor.py
index 9267366e8..38421ecc2 100644
--- a/openmc/executor.py
+++ b/openmc/executor.py
@@ -95,7 +95,6 @@ def _run(args, output, cwd):
     p = subprocess.Popen(args, cwd=cwd, stdout=subprocess.PIPE,
                          stderr=subprocess.STDOUT, universal_newlines=True)
 
-    print(args)
     # Capture and re-print OpenMC output in real-time
     lines = []
     while True:
@@ -146,7 +145,7 @@ def plot_geometry(output=True, openmc_exec='openmc', cwd='.', path_input=None):
     """
     args = [openmc_exec, '-p']
     if path_input is not None:
-        args += ['-i', path_input]
+        args += [path_input]
     _run([openmc_exec, '-p'], output, cwd)
 
 
diff --git a/openmc/material.py b/openmc/material.py
index 332f8c965..aa778cab6 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -1548,7 +1548,6 @@ class Materials(cv.CheckedList):
 
         return materials
 
-
     @classmethod
     def from_xml(cls, path: PathLike = 'materials.xml'):
         """Generate materials collection from XML file
diff --git a/openmc/model/model.py b/openmc/model/model.py
index a54cd6076..9983d5c60 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -259,7 +259,7 @@ class Model:
         materials = {str(m.id): m for m in model.materials}
         model.geometry = openmc.Geometry.from_xml_element(root.find('geometry'), materials)
 
-        # gather meshses from other classes before reading the tally node
+        # gather meshes from other classes before reading the tally node
         meshes = {}
         if model.settings.entropy_mesh is not None:
             meshes[model.settings.entropy_mesh.id] = model.settings.entropy_mesh
diff --git a/src/initialize.cpp b/src/initialize.cpp
index 3b332c3b2..0c137795b 100644
--- a/src/initialize.cpp
+++ b/src/initialize.cpp
@@ -352,7 +352,7 @@ bool read_model_xml() {
   auto other_inputs = {"materials.xml", "geometry.xml", "settings.xml", "tallies.xml", "plots.xml"};
   for (const auto& input : other_inputs) {
     if (file_exists(settings::path_input + input)) {
-      warning((fmt::format("Other XML file input(s) are present. These file "
+      warning((fmt::format("Other XML file input(s) are present. These files "
                            "will be ignored in favor of the {} file.",
         model_filename)));
       break;
@@ -371,7 +371,7 @@ bool read_model_xml() {
   // Read geometry
   if (!check_for_node(root, "geometry")) {
     fatal_error(fmt::format(
-      "No <geometry> node present in the model.xml_file.", model_filename));
+      "No <geometry> node present in the {} file.", model_filename));
   }
   read_geometry_xml(root.child("geometry"));
 
diff --git a/tests/regression_tests/model_xml/test.py b/tests/regression_tests/model_xml/test.py
index d040f4649..fbff02357 100644
--- a/tests/regression_tests/model_xml/test.py
+++ b/tests/regression_tests/model_xml/test.py
@@ -81,7 +81,8 @@ def test_input_arg(run_in_tmpdir):
     openmc.run()
 
     # make sure the executable isn't falling back on the separate XMLs
-    [os.remove(f) for f in glob.glob('*.xml')]
+    for f in glob.glob('*.xml'):
+        os.remove(f)
     # now export to a single XML file with a custom name
     pincell.export_to_xml(path='pincell.xml', separate_xmls=False)
     assert Path('pincell.xml').exists()

From f3bcad37b72629cfc64e857aebdbe7c38461cabb Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Mon, 12 Dec 2022 21:18:48 -0600
Subject: [PATCH 1393/2654] Addressing comments from @paulromano

---
 openmc/executor.py                       | 32 ++++++-----
 openmc/geometry.py                       | 19 ++++---
 openmc/model/model.py                    | 33 ++----------
 openmc/settings.py                       | 68 +++++++++++++-----------
 tests/regression_tests/model_xml/test.py | 11 ++--
 tests/unit_tests/test_model.py           | 10 ++--
 6 files changed, 85 insertions(+), 88 deletions(-)

diff --git a/openmc/executor.py b/openmc/executor.py
index 38421ecc2..22862a7cf 100644
--- a/openmc/executor.py
+++ b/openmc/executor.py
@@ -43,7 +43,8 @@ def _process_CLI_arguments(volume=False, geometry_debug=False, particles=None,
         MPI execute command and any additional MPI arguments to pass,
         e.g. ['mpiexec', '-n', '8'].
     path_input : str or Pathlike
-        Name of a single XML input file for the OpenMC executable to read.
+        Path to a single XML file or a directory containing XML files for the
+        OpenMC executable to read.
 
     .. versionadded:: 0.13.0
 
@@ -135,7 +136,8 @@ def plot_geometry(output=True, openmc_exec='openmc', cwd='.', path_input=None):
     cwd : str, optional
         Path to working directory to run in
     path_input : str
-        Name of a single XML input file for the OpenMC executable to read.
+        Path to a single XML file or a directory containing XML files for the
+        OpenMC executable to read.
 
     Raises
     ------
@@ -146,7 +148,7 @@ def plot_geometry(output=True, openmc_exec='openmc', cwd='.', path_input=None):
     args = [openmc_exec, '-p']
     if path_input is not None:
         args += [path_input]
-    _run([openmc_exec, '-p'], output, cwd)
+    _run(args, output, cwd)
 
 
 def plot_inline(plots, openmc_exec='openmc', cwd='.', path_input=None):
@@ -166,7 +168,8 @@ def plot_inline(plots, openmc_exec='openmc', cwd='.', path_input=None):
     cwd : str, optional
         Path to working directory to run in
     path_input : str
-        Name of a single XML input file for the OpenMC executable to read.
+        Path to a single XML file or a directory containing XML files for the
+        OpenMC executable to read.
 
     Raises
     ------
@@ -224,7 +227,9 @@ def calculate_volumes(threads=None, output=True, cwd='.',
         Path to working directory to run in. Defaults to the current working
         directory.
     path_input : str or Pathlike
-        Name of a single XML input file for the OpenMC executable to read.
+        Path to a single XML file or a directory containing XML files for the
+        OpenMC executable to read.
+
 
     Raises
     ------
@@ -256,17 +261,17 @@ def run(particles=None, threads=None, geometry_debug=False,
         Number of particles to simulate per generation.
     threads : int, optional
         Number of OpenMP threads. If OpenMC is compiled with OpenMP threading
-        enabled, the default is implementation-dependent but is usually equal
-        to the number of hardware threads available (or a value set by the
+        enabled, the default is implementation-dependent but is usually equal to
+        the number of hardware threads available (or a value set by the
         :envvar:`OMP_NUM_THREADS` environment variable).
     geometry_debug : bool, optional
         Turn on geometry debugging during simulation. Defaults to False.
     restart_file : str, optional
         Path to restart file to use
     tracks : bool, optional
-        Enables the writing of particles tracks. The number of particle
-        tracks written to tracks.h5 is limited to 1000 unless
-        Settings.max_tracks is set. Defaults to False.
+        Enables the writing of particles tracks. The number of particle tracks
+        written to tracks.h5 is limited to 1000 unless Settings.max_tracks is
+        set. Defaults to False.
     output : bool
         Capture OpenMC output from standard out
     cwd : str, optional
@@ -275,15 +280,16 @@ def run(particles=None, threads=None, geometry_debug=False,
     openmc_exec : str, optional
         Path to OpenMC executable. Defaults to 'openmc'.
     mpi_args : list of str, optional
-        MPI execute command and any additional MPI arguments to pass,
-        e.g. ['mpiexec', '-n', '8'].
+        MPI execute command and any additional MPI arguments to pass, e.g.
+        ['mpiexec', '-n', '8'].
     event_based : bool, optional
         Turns on event-based parallelism, instead of default history-based
 
         .. versionadded:: 0.12
 
     path_input : str or Pathlike
-        Name of a single XML input file for the OpenMC executable to read.
+        Path to a single XML file or a directory containing XML files for the
+        OpenMC executable to read.
 
     Raises
     ------
diff --git a/openmc/geometry.py b/openmc/geometry.py
index afcae1d55..a43899daa 100644
--- a/openmc/geometry.py
+++ b/openmc/geometry.py
@@ -179,6 +179,11 @@ class Geometry:
             Geometry object
 
         """
+        mats = dict()
+        if materials is not None:
+            mats.update({str(m.id): m for m in materials})
+        mats['void'] = None
+
         # Helper function for keeping a cache of Universe instances
         universes = {}
         def get_universe(univ_id):
@@ -236,7 +241,7 @@ class Geometry:
                             child_of[u].append(lat)
 
         for e in elem.findall('cell'):
-            c = openmc.Cell.from_xml_element(e, surfaces, materials, get_universe)
+            c = openmc.Cell.from_xml_element(e, surfaces, mats, get_universe)
             if c.fill_type in ('universe', 'lattice'):
                 child_of[c.fill].append(c)
 
@@ -266,17 +271,15 @@ class Geometry:
             Geometry object
 
         """
-        tree = ET.parse(path)
-        root = tree.getroot()
-
-         # Create dictionary to easily look up materials
+        # Create dictionary to easily look up materials
         if materials is None:
             filename = Path(path).parent / 'materials.xml'
             materials = openmc.Materials.from_xml(str(filename))
-        mats = {str(m.id): m for m in materials}
-        mats['void'] = None
 
-        return cls.from_xml_element(root, mats)
+        tree = ET.parse(path)
+        root = tree.getroot()
+
+        return cls.from_xml_element(root, materials)
 
     def find(self, point):
         """Find cells/universes/lattices which contain a given point
diff --git a/openmc/model/model.py b/openmc/model/model.py
index 9983d5c60..a8dc1ce48 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -256,8 +256,7 @@ class Model:
 
         model.settings = openmc.Settings.from_xml_element(root.find('settings'))
         model.materials = openmc.Materials.from_xml_element(root.find('materials'))
-        materials = {str(m.id): m for m in model.materials}
-        model.geometry = openmc.Geometry.from_xml_element(root.find('geometry'), materials)
+        model.geometry = openmc.Geometry.from_xml_element(root.find('geometry'), model.materials)
 
         # gather meshes from other classes before reading the tally node
         meshes = {}
@@ -435,30 +434,7 @@ class Model:
                 depletion_operator.cleanup_when_done = True
                 depletion_operator.finalize()
 
-    def export_to_xml(self, directory='.', remove_surfs=False, separate_xmls=True, path='model.xml'):
-        """Export model to an XML file(s).
-
-        Parameters
-        ----------
-        directory : str
-            Directory to write XML files to. If it doesn't exist already, it
-            will be created. Only used if :math:`separate_xmls` is True.
-        remove_surfs : bool
-            Whether or not to remove redundant surfaces from the geometry when
-            exporting.
-        path : str
-            Path to an output filename or directory. Only used if :math:`separate_xmls` is False.
-
-            .. versionadded:: 0.13.1
-        separate_xmls : bool
-            Whether or not to write a single model.xml file or many XML files.
-        """
-        if separate_xmls:
-            self._export_to_separate_xmls(directory, remove_surfs)
-        else:
-            self._export_to_single_xml(path, remove_surfs)
-
-    def _export_to_separate_xmls(self, directory='.', remove_surfs=False):
+    def export_to_xml(self, directory='.', remove_surfs=False):
         """Export model to separate XML files.
 
         Parameters
@@ -495,13 +471,14 @@ class Model:
         if self.plots:
             self.plots.export_to_xml(d)
 
-    def _export_to_single_xml(self, path='model.xml', remove_surfs=False):
+    def export_to_model_xml(self, path='model.xml', remove_surfs=False):
         """Export model to a single XML file.
 
         Parameters
         ----------
         path : str or Pathlike
-            Location of the XML file to write. Can be a directory or file path.
+            Location of the XML file to write (default is 'model.xml'). Can be a
+            directory or file path.
         remove_surfs : bool
             Whether or not to remove redundant surfaces from the geometry when
             exporting.
diff --git a/openmc/settings.py b/openmc/settings.py
index 294aea7a3..8f6d3ec07 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -1074,31 +1074,33 @@ class Settings:
                 subelement.text = str(value)
 
     def _create_entropy_mesh_subelement(self, root, mesh_memo=None):
-        if self.entropy_mesh is not None:
-            # use default heuristic for entropy mesh if not set by user
-            if self.entropy_mesh.dimension is None:
-                if self.particles is None:
-                    raise RuntimeError("Number of particles must be set in order to " \
-                      "use entropy mesh dimension heuristic")
-                else:
-                    n = ceil((self.particles / 20.0)**(1.0 / 3.0))
-                    d = len(self.entropy_mesh.lower_left)
-                    self.entropy_mesh.dimension = (n,)*d
+        if self.entropy_mesh is None:
+            return
 
-            # add mesh ID to this element
-            subelement = ET.SubElement(root, "entropy_mesh")
-            subelement.text = str(self.entropy_mesh.id)
+        # use default heuristic for entropy mesh if not set by user
+        if self.entropy_mesh.dimension is None:
+            if self.particles is None:
+                raise RuntimeError("Number of particles must be set in order to " \
+                    "use entropy mesh dimension heuristic")
+            else:
+                n = ceil((self.particles / 20.0)**(1.0 / 3.0))
+                d = len(self.entropy_mesh.lower_left)
+                self.entropy_mesh.dimension = (n,)*d
 
-            # If this mesh has already been written outside the
-            # settings element, skip writing it again
-            if mesh_memo and self.entropy_mesh.id in mesh_memo:
-                return
+        # add mesh ID to this element
+        subelement = ET.SubElement(root, "entropy_mesh")
+        subelement.text = str(self.entropy_mesh.id)
 
-            # See if a <mesh> element already exists -- if not, add it
-            path = f"./mesh[@id='{self.entropy_mesh.id}']"
-            if root.find(path) is None:
-                root.append(self.entropy_mesh.to_xml_element())
-                if mesh_memo is not None: mesh_memo.add(self.entropy_mesh.id)
+        # If this mesh has already been written outside the
+        # settings element, skip writing it again
+        if mesh_memo and self.entropy_mesh.id in mesh_memo:
+            return
+
+        # See if a <mesh> element already exists -- if not, add it
+        path = f"./mesh[@id='{self.entropy_mesh.id}']"
+        if root.find(path) is None:
+            root.append(self.entropy_mesh.to_xml_element())
+            if mesh_memo is not None: mesh_memo.add(self.entropy_mesh.id)
 
     def _create_trigger_subelement(self, root):
         if self._trigger_active is not None:
@@ -1149,15 +1151,21 @@ class Settings:
             element = ET.SubElement(root, "track")
             element.text = ' '.join(map(str, itertools.chain(*self._track)))
 
-    def _create_ufs_mesh_subelement(self, root):
-        if self.ufs_mesh is not None:
-            # See if a <mesh> element already exists -- if not, add it
-            path = f"./mesh[@id='{self.ufs_mesh.id}']"
-            if root.find(path) is None:
-                root.append(self.ufs_mesh.to_xml_element())
+    def _create_ufs_mesh_subelement(self, root, mesh_memo=None):
+        if self.ufs_mesh is None:
+            return
 
-            subelement = ET.SubElement(root, "ufs_mesh")
-            subelement.text = str(self.ufs_mesh.id)
+        subelement = ET.SubElement(root, "ufs_mesh")
+        subelement.text = str(self.ufs_mesh.id)
+
+        if mesh_memo and self.ufs_mesh.id in mesh_memo:
+            return
+
+        # See if a <mesh> element already exists -- if not, add it
+        path = f"./mesh[@id='{self.ufs_mesh.id}']"
+        if root.find(path) is None:
+            root.append(self.ufs_mesh.to_xml_element())
+            if mesh_memo is not None: mesh_memo.add(self.ufs_mesh.id)
 
     def _create_resonance_scattering_subelement(self, root):
         res = self.resonance_scattering
diff --git a/tests/regression_tests/model_xml/test.py b/tests/regression_tests/model_xml/test.py
index fbff02357..c67a72ed3 100644
--- a/tests/regression_tests/model_xml/test.py
+++ b/tests/regression_tests/model_xml/test.py
@@ -27,7 +27,7 @@ class ModelXMLTestHarness(PyAPITestHarness):
         self.results_true = 'results_true.dat' if results_true is None else results_true
 
     def _build_inputs(self):
-        self._model.export_to_xml(separate_xmls=False)
+        self._model.export_to_model_xml()
 
     def _get_inputs(self):
         return open('model.xml').read()
@@ -77,21 +77,24 @@ def test_input_arg(run_in_tmpdir):
     pincell.settings.particles = 100
 
     # export to separate XML files and run
-    pincell.export_to_xml(separate_xmls=True)
+    pincell.export_to_xml()
     openmc.run()
 
     # make sure the executable isn't falling back on the separate XMLs
     for f in glob.glob('*.xml'):
         os.remove(f)
     # now export to a single XML file with a custom name
-    pincell.export_to_xml(path='pincell.xml', separate_xmls=False)
+    pincell.export_to_model_xml('pincell.xml')
     assert Path('pincell.xml').exists()
 
     # run by specifying that single file
     openmc.run(path_input='pincell.xml')
 
+    # check that this works for plotting too
+    openmc.plot_geometry(path_input='pincell.xml')
+
     # now ensure we get an error for an incorrect filename,
     # even in the presence of other, valid XML files
-    pincell.export_to_xml(separate_xmls=True)
+    pincell.export_to_model_xml()
     with pytest.raises(RuntimeError, match='ex-em-ell.xml'):
         openmc.run(path_input='ex-em-ell.xml')
\ No newline at end of file
diff --git a/tests/unit_tests/test_model.py b/tests/unit_tests/test_model.py
index 11a88d76c..6c483aeb9 100644
--- a/tests/unit_tests/test_model.py
+++ b/tests/unit_tests/test_model.py
@@ -542,18 +542,18 @@ def test_model_xml(run_in_tmpdir):
     pwr_model.geometry.export_to_xml('geometry_ref.xml')
 
     # now write and read a model.xml file
-    pwr_model.export_to_xml(separate_xmls=False)
+    pwr_model.export_to_model_xml()
     new_model = openmc.Model.from_model_xml()
 
     # make sure we can also export this again to separate
     # XML files
-    new_model.export_to_xml(separate_xmls=True)
+    new_model.export_to_xml()
 
-def test_model_exec(run_in_tmpdir):
+def test_single_xml_exec(run_in_tmpdir):
 
     pincell_model = openmc.examples.pwr_pin_cell()
 
-    pincell_model.export_to_xml(path='pwr_pincell.xml', separate_xmls=False)
+    pincell_model.export_to_model_xml('pwr_pincell.xml')
 
     openmc.run(path_input='pwr_pincell.xml')
 
@@ -562,7 +562,7 @@ def test_model_exec(run_in_tmpdir):
 
     # test that a file in a different directory can be used
     os.mkdir('inputs')
-    pincell_model.export_to_xml(path='./inputs/pincell.xml', separate_xmls=False)
+    pincell_model.export_to_model_xml('./inputs/pincell.xml')
     openmc.run(path_input='./inputs/pincell.xml')
 
     with pytest.raises(RuntimeError, match='input_dir'):

From 43687e5194f854d6d2a9fdf6287ec0c9b45bf3a1 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Mon, 12 Dec 2022 21:40:48 -0600
Subject: [PATCH 1394/2654] Improve comment on recursion arguments

---
 openmc/_xml.py | 6 ++++--
 1 file changed, 4 insertions(+), 2 deletions(-)

diff --git a/openmc/_xml.py b/openmc/_xml.py
index aeaeb45b5..2a33d4b8d 100644
--- a/openmc/_xml.py
+++ b/openmc/_xml.py
@@ -26,8 +26,10 @@ def clean_indentation(element, level=0, spaces_per_level=2, trailing_indent=True
         if trailing_indent and (not element.tail or not element.tail.strip()):
             element.tail = i
         for sub_element in element:
-            # `trailing_indent` intentionally not passed to the recursive call.
-            # it only applies to the element for the initial of this function.
+            # `trailing_indent` is intentionally not forwarded to the recursive
+            # call. Any child element of the topmost clement should add
+            # indentation at the end to ensure its parent's indentation is
+            # correct.
             clean_indentation(sub_element, level+1, spaces_per_level)
         if not sub_element.tail or not sub_element.tail.strip():
             sub_element.tail = i

From 2eca57a299ce91b9ddb68b8d6b40313ad6ddd708 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Tue, 13 Dec 2022 23:16:57 -0600
Subject: [PATCH 1395/2654] Adding mesh memo to Settings.from_xml_element

---
 openmc/model/model.py |  4 ++--
 openmc/settings.py    | 25 ++++++++++++++++++-------
 openmc/tallies.py     |  4 ++++
 3 files changed, 24 insertions(+), 9 deletions(-)

diff --git a/openmc/model/model.py b/openmc/model/model.py
index a8dc1ce48..7c6d9b828 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -254,12 +254,12 @@ class Model:
 
         model = cls()
 
-        model.settings = openmc.Settings.from_xml_element(root.find('settings'))
+        meshes = {}
+        model.settings = openmc.Settings.from_xml_element(root.find('settings'), meshes)
         model.materials = openmc.Materials.from_xml_element(root.find('materials'))
         model.geometry = openmc.Geometry.from_xml_element(root.find('geometry'), model.materials)
 
         # gather meshes from other classes before reading the tally node
-        meshes = {}
         if model.settings.entropy_mesh is not None:
             meshes[model.settings.entropy_mesh.id] = model.settings.entropy_mesh
 
diff --git a/openmc/settings.py b/openmc/settings.py
index 8f6d3ec07..65ca71957 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -1417,13 +1417,15 @@ class Settings:
                 if value is not None:
                     self.cutoff[key] = float(value)
 
-    def _entropy_mesh_from_xml_element(self, root):
+    def _entropy_mesh_from_xml_element(self, root, meshes=None):
         text = get_text(root, 'entropy_mesh')
         if text is not None:
             path = f"./mesh[@id='{int(text)}']"
             elem = root.find(path)
             if elem is not None:
                 self.entropy_mesh = RegularMesh.from_xml_element(elem)
+        if meshes is not None and self.entropy_mesh is not None:
+            meshes[self.entropy_mesh.id] = self.entropy_mesh
 
     def _trigger_from_xml_element(self, root):
         elem = root.find('trigger')
@@ -1483,13 +1485,15 @@ class Settings:
             values = [int(x) for x in text.split()]
             self.track = list(zip(values[::3], values[1::3], values[2::3]))
 
-    def _ufs_mesh_from_xml_element(self, root):
+    def _ufs_mesh_from_xml_element(self, root, meshes=None):
         text = get_text(root, 'ufs_mesh')
         if text is not None:
             path = f"./mesh[@id='{int(text)}']"
             elem = root.find(path)
             if elem is not None:
                 self.ufs_mesh = RegularMesh.from_xml_element(elem)
+        if meshes is not None and self.ufs_mesh is not None:
+            meshes[self.ufs_mesh.id] = self.ufs_mesh
 
     def _resonance_scattering_from_xml_element(self, root):
         elem = root.find('resonance_scattering')
@@ -1541,7 +1545,7 @@ class Settings:
         if text is not None:
             self.write_initial_source = text in ('true', '1')
 
-    def _weight_windows_from_xml_element(self, root):
+    def _weight_windows_from_xml_element(self, root, meshes=None):
         for elem in root.findall('weight_windows'):
             ww = WeightWindows.from_xml_element(elem, root)
             self.weight_windows.append(ww)
@@ -1550,6 +1554,9 @@ class Settings:
         if text is not None:
             self.weight_windows_on = text in ('true', '1')
 
+        if meshes is not None and self.weight_windows:
+            meshes.update({ww.mesh.id: ww.mesh for ww in self.weight_windows})
+
     def _max_splits_from_xml_element(self, root):
         text = get_text(root, 'max_splits')
         if text is not None:
@@ -1643,13 +1650,17 @@ class Settings:
         tree.write(str(p), xml_declaration=True, encoding='utf-8')
 
     @classmethod
-    def from_xml_element(cls, elem):
+    def from_xml_element(cls, elem, meshes=None):
         """Generate settings from XML element
 
         Parameters
         ----------
         elem : xml.etree.ElementTree.Element
             XML element
+        meshes : dict or None
+            A dictionary with mesh IDs as keys and mesh instances as values that
+            have already been read from XML. Pre-existing meshes are used
+            and new meshes are added to when creating tally objects.
 
         Returns
         -------
@@ -1683,7 +1694,7 @@ class Settings:
         settings._seed_from_xml_element(elem)
         settings._survival_biasing_from_xml_element(elem)
         settings._cutoff_from_xml_element(elem)
-        settings._entropy_mesh_from_xml_element(elem)
+        settings._entropy_mesh_from_xml_element(elem, meshes)
         settings._trigger_from_xml_element(elem)
         settings._no_reduce_from_xml_element(elem)
         settings._verbosity_from_xml_element(elem)
@@ -1691,7 +1702,7 @@ class Settings:
         settings._temperature_from_xml_element(elem)
         settings._trace_from_xml_element(elem)
         settings._track_from_xml_element(elem)
-        settings._ufs_mesh_from_xml_element(elem)
+        settings._ufs_mesh_from_xml_element(elem, meshes)
         settings._resonance_scattering_from_xml_element(elem)
         settings._create_fission_neutrons_from_xml_element(elem)
         settings._delayed_photon_scaling_from_xml_element(elem)
@@ -1700,7 +1711,7 @@ class Settings:
         settings._material_cell_offsets_from_xml_element(elem)
         settings._log_grid_bins_from_xml_element(elem)
         settings._write_initial_source_from_xml_element(elem)
-        settings._weight_windows_from_xml_element(elem)
+        settings._weight_windows_from_xml_element(elem, meshes)
         settings._max_splits_from_xml_element(elem)
         settings._max_tracks_from_xml_element(elem)
 
diff --git a/openmc/tallies.py b/openmc/tallies.py
index e17e7c99d..b22cc4cf0 100644
--- a/openmc/tallies.py
+++ b/openmc/tallies.py
@@ -3199,6 +3199,10 @@ class Tallies(cv.CheckedList):
         ----------
         elem : xml.etree.ElementTree.Element
             XML element
+        meshes : dict or None
+            A dictionary with mesh IDs as keys and mesh instances as values that
+            have already been read from XML. Pre-existing meshes are used
+            and new meshes are added to when creating tally objects.
 
         Returns
         -------

From 907cf7df4d1c221584bc6e4db0cb3a2106b1686e Mon Sep 17 00:00:00 2001
From: myerspat <myerspat@umich.edu>
Date: Fri, 16 Dec 2022 12:30:08 -0500
Subject: [PATCH 1396/2654] changed catch2 clone link to https

---
 .gitmodules | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/.gitmodules b/.gitmodules
index b16ecb580..4dde5fd5e 100644
--- a/.gitmodules
+++ b/.gitmodules
@@ -15,4 +15,4 @@
 	url = https://github.com/fmtlib/fmt.git
 [submodule "vendor/Catch2"]
 	path = vendor/Catch2
-	url = git@github.com:catchorg/Catch2.git
+	url = https://github.com/catchorg/Catch2.git

From 90509d928bc88d5bed5dd9673c8eaa8d0fa4cc66 Mon Sep 17 00:00:00 2001
From: myerspat <myerspat@umich.edu>
Date: Mon, 19 Dec 2022 17:24:33 -0500
Subject: [PATCH 1397/2654] moved alias method to function and fixed sampling
 bug

---
 include/openmc/distribution.h |  3 +++
 src/distribution.cpp          | 16 +++++++++++-----
 2 files changed, 14 insertions(+), 5 deletions(-)

diff --git a/include/openmc/distribution.h b/include/openmc/distribution.h
index e2c710ae9..4519c285b 100644
--- a/include/openmc/distribution.h
+++ b/include/openmc/distribution.h
@@ -58,6 +58,9 @@ private:
 
   //! Normalize distribution so that probabilities sum to unity
   void normalize();
+
+  //! Initialize alias tables for distribution
+  void init_alias();
 };
 
 //==============================================================================
diff --git a/src/distribution.cpp b/src/distribution.cpp
index 436e34116..c15b56f7b 100644
--- a/src/distribution.cpp
+++ b/src/distribution.cpp
@@ -29,12 +29,18 @@ Discrete::Discrete(pugi::xml_node node)
   std::copy(params.begin(), params.begin() + n / 2, std::back_inserter(x_));
   std::copy(params.begin() + n / 2, params.end(), std::back_inserter(p_));
 
-  normalize();
+  // Initialize alias tables
+  init_alias();
 }
 
 Discrete::Discrete(const double* x, const double* p, int n)
   : x_ {x, x + n}, p_ {p, p + n}
 {
+  // Initialize alias tables
+  init_alias();
+}
+
+void Discrete::init_alias() {
   normalize();
 
   // Vectors for large and small probabilities based on 1/n
@@ -42,11 +48,11 @@ Discrete::Discrete(const double* x, const double* p, int n)
   vector<size_t> small;
 
   // Set and allocate memory
-  alias_.reserve(n);
+  alias_.reserve(x_.size());
 
   // Fill large and small vectors based on 1/n
-  for (int i = 0; i < n; i++) {
-    p_[i] *= n;
+  for (int i = 0; i < x_.size(); i++) {
+    p_[i] *= x_.size();
     if (p_[i] > 1.0) {
       large.push_back(i);
     } else {
@@ -85,7 +91,7 @@ double Discrete::sample(uint64_t* seed) const
       return x_[alias_[u]];
     }
   } else {
-    return x_.size();
+    return x_[0];
   }
 }
 

From 748e7da3f9bcb8af5832668aec0bf036dee34bb4 Mon Sep 17 00:00:00 2001
From: myerspat <myerspat@umich.edu>
Date: Mon, 19 Dec 2022 17:25:20 -0500
Subject: [PATCH 1398/2654] added test for xml node Discrete constructor

---
 tests/cpp_unit_tests/test_distribution.cpp | 23 ++++++++++++++++++++++
 1 file changed, 23 insertions(+)

diff --git a/tests/cpp_unit_tests/test_distribution.cpp b/tests/cpp_unit_tests/test_distribution.cpp
index 772fc136a..41cb2b4c4 100644
--- a/tests/cpp_unit_tests/test_distribution.cpp
+++ b/tests/cpp_unit_tests/test_distribution.cpp
@@ -1,6 +1,7 @@
 #include "openmc/distribution.h"
 #include "openmc/random_lcg.h"
 #include <catch2/catch_test_macros.hpp>
+#include <pugixml.hpp>
 
 TEST_CASE("Test alias method sampling of a discrete distribution")
 {
@@ -38,3 +39,25 @@ TEST_CASE("Test alias method sampling of a discrete distribution")
   // expected mean
   REQUIRE(std::abs(dist_mean - mean) < 3 * std);
 }
+
+TEST_CASE("Test alias sampling method for pugixml constructor")
+{
+  // XML doc node for Discrete contructor
+  pugi::xml_document doc;
+  pugi::xml_node energy = doc.append_child("energy");
+  pugi::xml_node parameters = energy.append_child("parameters");
+  parameters.append_child(pugi::node_pcdata)
+    .set_value("17140457.745328166 1.0");
+
+  // Initialize discrete distribution and seed
+  openmc::Discrete dist(energy);
+  uint64_t seed = openmc::init_seed(0, 0);
+
+  // Assertions
+  REQUIRE(dist.x().size() == 1);
+  REQUIRE(dist.p().size() == 1);
+  REQUIRE(dist.alias().size() == 0);
+  REQUIRE(dist.x()[0] == 17140457.745328166);
+  REQUIRE(dist.p()[0] == 1.0);
+  REQUIRE(dist.sample(&seed) == 17140457.745328166);
+}

From 2b7fa8fdd2dbe313e14cf2d789f9cad1260d964e Mon Sep 17 00:00:00 2001
From: erkn <erik@vonbrun.org>
Date: Tue, 20 Dec 2022 23:58:22 +0100
Subject: [PATCH 1399/2654] Revert "enable mcpl from the python layer"

This reverts commit e3f1bdaca1f5144563c4ceac45f10e4b0b5b7963.
There is now a check in the cpp-layer if the file is named .mcpl
---
 openmc/source.py | 5 +----
 1 file changed, 1 insertion(+), 4 deletions(-)

diff --git a/openmc/source.py b/openmc/source.py
index fdb2d5bc2..48e14f6f7 100644
--- a/openmc/source.py
+++ b/openmc/source.py
@@ -223,10 +223,7 @@ class Source:
         if self.particle != 'neutron':
             element.set("particle", self.particle)
         if self.file is not None:
-            if (self.file.endswith('.mcpl')):
-              element.set("mcpl", self.file)
-            else:
-              element.set("file", self.file)
+            element.set("file", self.file)
         if self.library is not None:
             element.set("library", self.library)
         if self.parameters is not None:

From 1ab9aa4b6fddf4e6b7216b7fe993d8c672c22468 Mon Sep 17 00:00:00 2001
From: erkn <erik@vonbrun.org>
Date: Wed, 21 Dec 2022 00:14:43 +0100
Subject: [PATCH 1400/2654] script for installing mcpl as a ci-thing

---
 tools/ci/gha-install-mcpl.sh | 7 +++++++
 1 file changed, 7 insertions(+)
 create mode 100755 tools/ci/gha-install-mcpl.sh

diff --git a/tools/ci/gha-install-mcpl.sh b/tools/ci/gha-install-mcpl.sh
new file mode 100755
index 000000000..9b8609398
--- /dev/null
+++ b/tools/ci/gha-install-mcpl.sh
@@ -0,0 +1,7 @@
+#!/bin/bash
+set -ex
+cd $HOME
+git clone https://github.com/mctools/mcpl
+cd mcpl
+mkdir build && cd build
+cmake .. && make 2>/dev/null && sudo make install

From 9865a129c49ad2b07628d152a2d8865ad6936fd6 Mon Sep 17 00:00:00 2001
From: erkn <erik@vonbrun.org>
Date: Wed, 21 Dec 2022 00:22:38 +0100
Subject: [PATCH 1401/2654] optionally install mcpl depending on environment
 var

---
 tools/ci/gha-install.py | 8 ++++++--
 tools/ci/gha-install.sh | 5 +++++
 2 files changed, 11 insertions(+), 2 deletions(-)

diff --git a/tools/ci/gha-install.py b/tools/ci/gha-install.py
index 4c69ba70b..ea317b5f0 100644
--- a/tools/ci/gha-install.py
+++ b/tools/ci/gha-install.py
@@ -19,7 +19,7 @@ def which(program):
     return None
 
 
-def install(omp=False, mpi=False, phdf5=False, dagmc=False, libmesh=False):
+def install(omp=False, mpi=False, phdf5=False, dagmc=False, libmesh=False, mcpl=False):
     # Create build directory and change to it
     shutil.rmtree('build', ignore_errors=True)
     os.mkdir('build')
@@ -54,6 +54,9 @@ def install(omp=False, mpi=False, phdf5=False, dagmc=False, libmesh=False):
         libmesh_path = os.environ.get('HOME') + '/LIBMESH'
         cmake_cmd.append('-DCMAKE_PREFIX_PATH=' + libmesh_path)
 
+    if mcpl:
+        cmake_cmd.append('-DOPENMC_USE_MCPL=ON')
+
     # Build in coverage mode for coverage testing
     cmake_cmd.append('-DOPENMC_ENABLE_COVERAGE=on')
 
@@ -71,9 +74,10 @@ def main():
     phdf5 = (os.environ.get('PHDF5') == 'y')
     dagmc = (os.environ.get('DAGMC') == 'y')
     libmesh = (os.environ.get('LIBMESH') == 'y')
+    mcpl = (os.environ.get('MCPL') == 'y')
 
     # Build and install
-    install(omp, mpi, phdf5, dagmc, libmesh)
+    install(omp, mpi, phdf5, dagmc, libmesh, mcpl)
 
 if __name__ == '__main__':
     main()
diff --git a/tools/ci/gha-install.sh b/tools/ci/gha-install.sh
index aa40eb90b..68e825d48 100755
--- a/tools/ci/gha-install.sh
+++ b/tools/ci/gha-install.sh
@@ -27,6 +27,11 @@ if [[ $LIBMESH = 'y' ]]; then
     ./tools/ci/gha-install-libmesh.sh
 fi
 
+# Install mcpl if needed
+if [[ $MCPL = 'y' ]]; then
+    ./tools/ci/gha-install-mcpl.sh
+fi
+
 # For MPI configurations, make sure mpi4py and h5py are built against the
 # correct version of MPI
 if [[ $MPI == 'y' ]]; then

From a50776219fe659be4572a918d4e19bfb9596a5f3 Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erik.knudsen@copenhagenatomics.com>
Date: Wed, 21 Dec 2022 11:33:36 +0100
Subject: [PATCH 1402/2654] resolve conflict w. develop

---
 src/source.cpp | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/src/source.cpp b/src/source.cpp
index af108f3fa..19d1c2a9d 100644
--- a/src/source.cpp
+++ b/src/source.cpp
@@ -234,7 +234,7 @@ SourceSite IndependentSource::sample(uint64_t* seed) const
             auto id = (domain_type_ == DomainType::CELL)
                         ? model::cells[coord.cell]->id_
                         : model::universes[coord.universe]->id_;
-            if (found = contains(domain_ids_, id))
+            if ((found = contains(domain_ids_, id)))
               break;
           }
         }

From 19c807ade2fac423cb3ac55eac358b29a88c5ca3 Mon Sep 17 00:00:00 2001
From: myerspat <myerspat@umich.edu>
Date: Wed, 21 Dec 2022 10:15:14 -0500
Subject: [PATCH 1403/2654] updated regression tests

---
 .../last_step_reference_materials.xml         | 374 +++++++++---------
 .../deplete_with_transport/test_reference.h5  | Bin 166224 -> 163736 bytes
 .../regression_tests/source/results_true.dat  |   2 +-
 .../surface_source/surface_source_true.h5     | Bin 106144 -> 106144 bytes
 4 files changed, 188 insertions(+), 188 deletions(-)

diff --git a/tests/regression_tests/deplete_with_transport/last_step_reference_materials.xml b/tests/regression_tests/deplete_with_transport/last_step_reference_materials.xml
index fc9fd0cf5..b81856683 100644
--- a/tests/regression_tests/deplete_with_transport/last_step_reference_materials.xml
+++ b/tests/regression_tests/deplete_with_transport/last_step_reference_materials.xml
@@ -4,43 +4,43 @@
     <density units="sum" />
     <nuclide ao="0.046295399999999994" name="O16" />
     <nuclide ao="0.00011276839999999999" name="O17" />
-    <nuclide ao="4.624897827397648e-07" name="Cs135" />
+    <nuclide ao="4.62489782739765e-07" name="Cs135" />
     <nuclide ao="8.513845108222934e-09" name="Gd156" />
-    <nuclide ao="3.6422790646859426e-10" name="Gd157" />
+    <nuclide ao="3.6422790646859405e-10" name="Gd157" />
     <nuclide ao="1.2506256160444458e-08" name="I135" />
     <nuclide ao="1.0044833338996991e-05" name="U234" />
     <nuclide ao="0.0010135760878333647" name="U235" />
     <nuclide ao="0.022134354214267578" name="U238" />
     <nuclide ao="6.021515908249729e-09" name="Xe135" />
-    <nuclide ao="1.894526271330101e-06" name="Xe136" />
+    <nuclide ao="1.8945262713301022e-06" name="Xe136" />
   </material>
   <material depletable="true" id="2" temperature="293.6" volume="0.06674732823364922">
     <density units="sum" />
     <nuclide ao="0.046295399999999994" name="O16" />
     <nuclide ao="0.00011276839999999999" name="O17" />
-    <nuclide ao="4.1317192551597174e-07" name="Cs135" />
+    <nuclide ao="4.1317192551597164e-07" name="Cs135" />
     <nuclide ao="7.1951197683939435e-09" name="Gd156" />
-    <nuclide ao="4.554662978016358e-10" name="Gd157" />
+    <nuclide ao="4.554662978016352e-10" name="Gd157" />
     <nuclide ao="9.143600937356816e-09" name="I135" />
     <nuclide ao="1.004460107410099e-05" name="U234" />
     <nuclide ao="0.0010219836045364463" name="U235" />
     <nuclide ao="0.022134432003405754" name="U238" />
-    <nuclide ao="4.8818754167757864e-09" name="Xe135" />
-    <nuclide ao="1.4950302645958768e-06" name="Xe136" />
+    <nuclide ao="4.881875416775785e-09" name="Xe135" />
+    <nuclide ao="1.4950302645958752e-06" name="Xe136" />
   </material>
   <material depletable="true" id="3" temperature="293.6" volume="0.06674732823364922">
     <density units="sum" />
     <nuclide ao="0.046295399999999994" name="O16" />
     <nuclide ao="0.00011276839999999999" name="O17" />
-    <nuclide ao="4.423302326792641e-07" name="Cs135" />
+    <nuclide ao="4.4233023267926427e-07" name="Cs135" />
     <nuclide ao="7.650057506928347e-09" name="Gd156" />
     <nuclide ao="4.381381122619264e-10" name="Gd157" />
-    <nuclide ao="1.1144702868821655e-08" name="I135" />
+    <nuclide ao="1.1144702868821656e-08" name="I135" />
     <nuclide ao="1.0044728829940631e-05" name="U234" />
     <nuclide ao="0.0010193377809846768" name="U235" />
     <nuclide ao="0.022134335403001696" name="U238" />
-    <nuclide ao="5.17463717580927e-09" name="Xe135" />
-    <nuclide ao="1.607404832278296e-06" name="Xe136" />
+    <nuclide ao="5.174637175809274e-09" name="Xe135" />
+    <nuclide ao="1.6074048322782988e-06" name="Xe136" />
   </material>
   <material depletable="true" id="4" temperature="293.6" volume="0.06674732823364922">
     <density units="sum" />
@@ -48,12 +48,12 @@
     <nuclide ao="0.00011276839999999999" name="O17" />
     <nuclide ao="4.542189401531697e-07" name="Cs135" />
     <nuclide ao="7.626788139129838e-09" name="Gd156" />
-    <nuclide ao="4.554036803723092e-10" name="Gd157" />
-    <nuclide ao="8.895917147950859e-09" name="I135" />
+    <nuclide ao="4.554036803723083e-10" name="Gd157" />
+    <nuclide ao="8.895917147950857e-09" name="I135" />
     <nuclide ao="1.0044742882017663e-05" name="U234" />
     <nuclide ao="0.0010195876256423235" name="U235" />
     <nuclide ao="0.022134338074593186" name="U238" />
-    <nuclide ao="5.204386319535497e-09" name="Xe135" />
+    <nuclide ao="5.204386319535494e-09" name="Xe135" />
     <nuclide ao="1.584256968309388e-06" name="Xe136" />
   </material>
   <material depletable="true" id="5" temperature="293.6" volume="0.06674732823364922">
@@ -67,7 +67,7 @@
     <nuclide ao="0.001020680539756473" name="U235" />
     <nuclide ao="0.02169185104259157" name="U238" />
     <nuclide ao="4.953957753020382e-09" name="Xe135" />
-    <nuclide ao="4.222498934374298e-07" name="Xe136" />
+    <nuclide ao="4.2224989343743e-07" name="Xe136" />
   </material>
   <material depletable="true" id="6" temperature="293.6" volume="0.06674732823364922">
     <density units="sum" />
@@ -80,7 +80,7 @@
     <nuclide ao="1.0045052172260698e-05" name="U234" />
     <nuclide ao="0.0010182855830539153" name="U235" />
     <nuclide ao="0.022134415874096557" name="U238" />
-    <nuclide ao="5.070841178646677e-09" name="Xe135" />
+    <nuclide ao="5.070841178646676e-09" name="Xe135" />
     <nuclide ao="1.668376743604047e-06" name="Xe136" />
   </material>
   <material depletable="true" id="7" temperature="293.6" volume="0.06674732823364922">
@@ -89,26 +89,26 @@
     <nuclide ao="0.00011276839999999999" name="O17" />
     <nuclide ao="4.3759923148120817e-07" name="Cs135" />
     <nuclide ao="7.232791130625652e-09" name="Gd156" />
-    <nuclide ao="3.792760808155052e-10" name="Gd157" />
-    <nuclide ao="1.115660128573494e-08" name="I135" />
+    <nuclide ao="3.7927608081550524e-10" name="Gd157" />
+    <nuclide ao="1.1156601285734938e-08" name="I135" />
     <nuclide ao="1.004487073698697e-05" name="U234" />
     <nuclide ao="0.0010209689261418493" name="U235" />
     <nuclide ao="0.02213459371150142" name="U238" />
-    <nuclide ao="5.144327718930223e-09" name="Xe135" />
+    <nuclide ao="5.1443277189302275e-09" name="Xe135" />
     <nuclide ao="1.5202410851946595e-06" name="Xe136" />
   </material>
   <material depletable="true" id="8" temperature="293.6" volume="0.06674732823364922">
     <density units="sum" />
     <nuclide ao="0.046295399999999994" name="O16" />
     <nuclide ao="0.00011276839999999999" name="O17" />
-    <nuclide ao="4.2806757694679807e-07" name="Cs135" />
+    <nuclide ao="4.280675769467985e-07" name="Cs135" />
     <nuclide ao="7.10207611740966e-09" name="Gd156" />
-    <nuclide ao="3.928235145249647e-10" name="Gd157" />
+    <nuclide ao="3.928235145249649e-10" name="Gd157" />
     <nuclide ao="1.0609418645407898e-08" name="I135" />
     <nuclide ao="1.0045055277866812e-05" name="U234" />
     <nuclide ao="0.0010225358567290844" name="U235" />
     <nuclide ao="0.022134460728100176" name="U238" />
-    <nuclide ao="5.0634492814917475e-09" name="Xe135" />
+    <nuclide ao="5.0634492814917524e-09" name="Xe135" />
     <nuclide ao="1.4482994979866368e-06" name="Xe136" />
   </material>
   <material depletable="true" id="9" temperature="293.6" volume="0.06674732823364922">
@@ -116,13 +116,13 @@
     <nuclide ao="0.046295399999999994" name="O16" />
     <nuclide ao="0.00011276839999999999" name="O17" />
     <nuclide ao="4.559793845032722e-07" name="Cs135" />
-    <nuclide ao="7.582229687374046e-09" name="Gd156" />
-    <nuclide ao="4.4564404684709084e-10" name="Gd157" />
+    <nuclide ao="7.582229687374048e-09" name="Gd156" />
+    <nuclide ao="4.456440468470913e-10" name="Gd157" />
     <nuclide ao="1.029443385362887e-08" name="I135" />
     <nuclide ao="1.0044938876088381e-05" name="U234" />
     <nuclide ao="0.0010192632278857815" name="U235" />
     <nuclide ao="0.02213445313268344" name="U238" />
-    <nuclide ao="5.2755280107608386e-09" name="Xe135" />
+    <nuclide ao="5.275528010760839e-09" name="Xe135" />
     <nuclide ao="1.596587382150181e-06" name="Xe136" />
   </material>
   <material depletable="true" id="10" temperature="293.6" volume="0.06674732823364922">
@@ -132,40 +132,40 @@
     <nuclide ao="4.44817494586689e-07" name="Cs135" />
     <nuclide ao="7.490669966660647e-09" name="Gd156" />
     <nuclide ao="4.71815870798701e-10" name="Gd157" />
-    <nuclide ao="9.867587758336676e-09" name="I135" />
+    <nuclide ao="9.867587758336683e-09" name="I135" />
     <nuclide ao="1.0044704634003168e-05" name="U234" />
     <nuclide ao="0.0010206456322883754" name="U235" />
     <nuclide ao="0.022134323221279867" name="U238" />
     <nuclide ao="5.53059630716541e-09" name="Xe135" />
-    <nuclide ao="1.5357161329193736e-06" name="Xe136" />
+    <nuclide ao="1.5357161329193738e-06" name="Xe136" />
   </material>
   <material depletable="true" id="11" temperature="293.6" volume="0.06674732823364922">
     <density units="sum" />
     <nuclide ao="0.046295399999999994" name="O16" />
     <nuclide ao="0.00011276839999999999" name="O17" />
-    <nuclide ao="4.282643831977521e-07" name="Cs135" />
+    <nuclide ao="4.282643831977514e-07" name="Cs135" />
     <nuclide ao="7.165056334410694e-09" name="Gd156" />
-    <nuclide ao="5.400698922527228e-10" name="Gd157" />
+    <nuclide ao="5.400698922527225e-10" name="Gd157" />
     <nuclide ao="7.775293340138874e-09" name="I135" />
     <nuclide ao="1.0044769356912609e-05" name="U234" />
     <nuclide ao="0.001021935866502441" name="U235" />
     <nuclide ao="0.022134472030470687" name="U238" />
-    <nuclide ao="4.493995007417954e-09" name="Xe135" />
-    <nuclide ao="1.4836002218798118e-06" name="Xe136" />
+    <nuclide ao="4.493995007417953e-09" name="Xe135" />
+    <nuclide ao="1.4836002218798116e-06" name="Xe136" />
   </material>
   <material depletable="true" id="12" temperature="293.6" volume="0.06674732823364922">
     <density units="sum" />
     <nuclide ao="0.046295399999999994" name="O16" />
     <nuclide ao="0.00011276839999999999" name="O17" />
-    <nuclide ao="4.741632091028e-07" name="Cs135" />
+    <nuclide ao="4.741632091027997e-07" name="Cs135" />
     <nuclide ao="8.415478374932387e-09" name="Gd156" />
-    <nuclide ao="4.0336133245900057e-10" name="Gd157" />
+    <nuclide ao="4.033613324590009e-10" name="Gd157" />
     <nuclide ao="1.1643114539912112e-08" name="I135" />
     <nuclide ao="1.004447242717756e-05" name="U234" />
     <nuclide ao="0.0010150644409916258" name="U235" />
     <nuclide ao="0.02213416675074138" name="U238" />
-    <nuclide ao="5.784335592645145e-09" name="Xe135" />
-    <nuclide ao="1.8069945667353578e-06" name="Xe136" />
+    <nuclide ao="5.784335592645143e-09" name="Xe135" />
+    <nuclide ao="1.806994566735355e-06" name="Xe136" />
   </material>
   <material depletable="true" id="13" temperature="293.6" volume="0.06674732823364922">
     <density units="sum" />
@@ -178,35 +178,35 @@
     <nuclide ao="1.0044724172775715e-05" name="U234" />
     <nuclide ao="0.001018103389969383" name="U235" />
     <nuclide ao="0.022134305189450396" name="U238" />
-    <nuclide ao="5.031294643981541e-09" name="Xe135" />
+    <nuclide ao="5.0312946439815415e-09" name="Xe135" />
     <nuclide ao="1.6535497694757781e-06" name="Xe136" />
   </material>
   <material depletable="true" id="14" temperature="293.6" volume="0.06674732823364922">
     <density units="sum" />
     <nuclide ao="0.0464035" name="O16" />
-    <nuclide ao="4.3666286537020926e-07" name="Cs135" />
+    <nuclide ao="4.366628653702094e-07" name="Cs135" />
     <nuclide ao="4.388430681617881e-09" name="Gd156" />
     <nuclide ao="6.600323951301814e-05" name="Gd157" />
     <nuclide ao="5.053352663792413e-09" name="I135" />
     <nuclide ao="9.994409045755882e-22" name="U234" />
     <nuclide ao="0.0010197083224001177" name="U235" />
     <nuclide ao="0.02169165187132738" name="U238" />
-    <nuclide ao="6.0189115628739156e-09" name="Xe135" />
-    <nuclide ao="4.600161213826744e-07" name="Xe136" />
+    <nuclide ao="6.018911562873914e-09" name="Xe135" />
+    <nuclide ao="4.6001612138267453e-07" name="Xe136" />
   </material>
   <material depletable="true" id="15" temperature="293.6" volume="0.06674732823364922">
     <density units="sum" />
     <nuclide ao="0.046295399999999994" name="O16" />
     <nuclide ao="0.00011276839999999999" name="O17" />
-    <nuclide ao="4.3139411048431574e-07" name="Cs135" />
-    <nuclide ao="7.224160042371305e-09" name="Gd156" />
+    <nuclide ao="4.3139411048431606e-07" name="Cs135" />
+    <nuclide ao="7.224160042371308e-09" name="Gd156" />
     <nuclide ao="4.642850464029985e-10" name="Gd157" />
-    <nuclide ao="8.878225988486555e-09" name="I135" />
+    <nuclide ao="8.878225988486557e-09" name="I135" />
     <nuclide ao="1.0044520934515877e-05" name="U234" />
     <nuclide ao="0.0010222689272563134" name="U235" />
     <nuclide ao="0.02213434146375052" name="U238" />
     <nuclide ao="4.982718733545422e-09" name="Xe135" />
-    <nuclide ao="1.4631077263677625e-06" name="Xe136" />
+    <nuclide ao="1.463107726367763e-06" name="Xe136" />
   </material>
   <material depletable="true" id="16" temperature="293.6" volume="0.06674732823364922">
     <density units="sum" />
@@ -214,7 +214,7 @@
     <nuclide ao="0.00011276839999999999" name="O17" />
     <nuclide ao="3.978792866390379e-07" name="Cs135" />
     <nuclide ao="7.131568542674021e-09" name="Gd156" />
-    <nuclide ao="4.141825614030765e-10" name="Gd157" />
+    <nuclide ao="4.14182561403077e-10" name="Gd157" />
     <nuclide ao="8.628891597016043e-09" name="I135" />
     <nuclide ao="1.0044937378795481e-05" name="U234" />
     <nuclide ao="0.0010216967146178025" name="U235" />
@@ -228,13 +228,13 @@
     <nuclide ao="0.00011276839999999999" name="O17" />
     <nuclide ao="4.361587300667327e-07" name="Cs135" />
     <nuclide ao="7.652966242332066e-09" name="Gd156" />
-    <nuclide ao="4.0269493520725056e-10" name="Gd157" />
+    <nuclide ao="4.0269493520725103e-10" name="Gd157" />
     <nuclide ao="1.0287763271365341e-08" name="I135" />
     <nuclide ao="1.0044628974981731e-05" name="U234" />
     <nuclide ao="0.001019307885793122" name="U235" />
     <nuclide ao="0.02213435899652758" name="U238" />
     <nuclide ao="5.335489662559542e-09" name="Xe135" />
-    <nuclide ao="1.6155021246783795e-06" name="Xe136" />
+    <nuclide ao="1.6155021246783818e-06" name="Xe136" />
   </material>
   <material depletable="true" id="18" temperature="293.6" volume="0.06674732823364922">
     <density units="sum" />
@@ -256,12 +256,12 @@
     <nuclide ao="0.00011276839999999999" name="O17" />
     <nuclide ao="4.4334650292198094e-07" name="Cs135" />
     <nuclide ao="8.456093507204118e-09" name="Gd156" />
-    <nuclide ao="4.2015409417453396e-10" name="Gd157" />
+    <nuclide ao="4.2015409417453355e-10" name="Gd157" />
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+    <nuclide ao="5.2798561098426515e-09" name="Xe135" />
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@@ -270,7 +270,7 @@
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@@ -284,33 +284,33 @@
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-    <nuclide ao="4.910861007799468e-10" name="Gd157" />
+    <nuclide ao="4.91086100779947e-10" name="Gd157" />
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     <nuclide ao="5.284665508284e-09" name="Xe135" />
-    <nuclide ao="1.578386750630591e-06" name="Xe136" />
+    <nuclide ao="1.5783867506305915e-06" name="Xe136" />
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+    <nuclide ao="4.354557191546753e-10" name="Gd157" />
+    <nuclide ao="8.81795509883174e-09" name="I135" />
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+    <nuclide ao="5.0725494457768e-09" name="Xe135" />
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+    <nuclide ao="4.2010134101857104e-07" name="Cs135" />
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@@ -324,13 +324,13 @@
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+    <nuclide ao="6.770703705610544e-09" name="Gd156" />
+    <nuclide ao="3.9405965307363423e-10" name="Gd157" />
+    <nuclide ao="9.544557439499591e-09" name="I135" />
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-    <nuclide ao="5.519902727491704e-09" name="Xe135" />
+    <nuclide ao="5.5199027274917046e-09" name="Xe135" />
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@@ -339,13 +339,13 @@
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+    <nuclide ao="3.541968694217363e-10" name="Gd157" />
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-    <nuclide ao="1.709276378950212e-06" name="Xe136" />
+    <nuclide ao="5.1705089469748246e-09" name="Xe135" />
+    <nuclide ao="1.7092763789502104e-06" name="Xe136" />
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@@ -353,27 +353,27 @@
     <nuclide ao="0.00011276839999999999" name="O17" />
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     <nuclide ao="6.967955424952044e-09" name="Gd156" />
-    <nuclide ao="4.942649842592731e-10" name="Gd157" />
+    <nuclide ao="4.94264984259273e-10" name="Gd157" />
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-    <nuclide ao="1.4088788220239342e-06" name="Xe136" />
+    <nuclide ao="5.150498408472716e-09" name="Xe135" />
+    <nuclide ao="1.4088788220239346e-06" name="Xe136" />
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     <nuclide ao="0.00011276839999999999" name="O17" />
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+    <nuclide ao="4.381486279336876e-07" name="Cs135" />
     <nuclide ao="7.410837460132543e-09" name="Gd156" />
-    <nuclide ao="3.690889736776625e-10" name="Gd157" />
+    <nuclide ao="3.690889736776621e-10" name="Gd157" />
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+    <nuclide ao="4.960965035278435e-09" name="Xe135" />
+    <nuclide ao="1.5235255296592858e-06" name="Xe136" />
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@@ -386,7 +386,7 @@
     <nuclide ao="1.0044999262183289e-05" name="U234" />
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+    <nuclide ao="5.174362016717773e-09" name="Xe135" />
     <nuclide ao="1.7186526141750548e-06" name="Xe136" />
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   <material depletable="true" id="29" temperature="293.6" volume="0.06674732823364922">
@@ -395,7 +395,7 @@
     <nuclide ao="0.00011276839999999999" name="O17" />
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     <nuclide ao="7.381121687801146e-09" name="Gd156" />
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+    <nuclide ao="5.210381185533892e-10" name="Gd157" />
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@@ -414,21 +414,21 @@
     <nuclide ao="1.0044716051458474e-05" name="U234" />
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-    <nuclide ao="5.610024692436443e-09" name="Xe135" />
+    <nuclide ao="5.610024692436442e-09" name="Xe135" />
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+    <nuclide ao="4.2950909376686433e-07" name="Cs135" />
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+    <nuclide ao="4.426186060093042e-10" name="Gd157" />
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+    <nuclide ao="5.193841793888193e-09" name="Xe135" />
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@@ -441,21 +441,21 @@
     <nuclide ao="9.995070953207503e-22" name="U234" />
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+    <nuclide ao="4.914919301108289e-09" name="Xe135" />
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-    <nuclide ao="3.7324192982978377e-10" name="Gd157" />
+    <nuclide ao="3.7324192982978325e-10" name="Gd157" />
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@@ -463,14 +463,14 @@
     <nuclide ao="0.046295399999999994" name="O16" />
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+    <nuclide ao="7.756484931403948e-09" name="Gd156" />
+    <nuclide ao="4.37039979005653e-10" name="Gd157" />
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-    <nuclide ao="1.661275460172976e-06" name="Xe136" />
+    <nuclide ao="5.010417823889617e-09" name="Xe135" />
+    <nuclide ao="1.6612754601729747e-06" name="Xe136" />
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@@ -478,13 +478,13 @@
     <nuclide ao="0.00011276839999999999" name="O17" />
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     <nuclide ao="7.487089904470881e-09" name="Gd156" />
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-    <nuclide ao="1.6294989443506564e-06" name="Xe136" />
+    <nuclide ao="1.6294989443506556e-06" name="Xe136" />
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@@ -492,34 +492,34 @@
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+    <nuclide ao="4.170161767401383e-10" name="Gd157" />
+    <nuclide ao="1.070432255573749e-08" name="I135" />
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-    <nuclide ao="4.947341641255846e-09" name="Xe135" />
+    <nuclide ao="4.947341641255845e-09" name="Xe135" />
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+    <nuclide ao="4.5669635738457787e-07" name="Cs135" />
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+    <nuclide ao="4.389959853090171e-07" name="Cs135" />
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@@ -534,13 +534,13 @@
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+    <nuclide ao="5.566458985896818e-09" name="Xe135" />
+    <nuclide ao="1.61493933377763e-06" name="Xe136" />
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@@ -548,67 +548,67 @@
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+    <nuclide ao="4.823571467963222e-10" name="Gd157" />
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+    <nuclide ao="4.931332484293642e-09" name="Xe135" />
+    <nuclide ao="1.7342541137563089e-06" name="Xe136" />
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@@ -622,8 +622,8 @@
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@@ -631,13 +631,13 @@
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@@ -646,11 +646,11 @@
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@@ -658,7 +658,7 @@
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@@ -673,67 +673,67 @@
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@@ -747,8 +747,8 @@
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@@ -761,7 +761,7 @@
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@@ -775,16 +775,16 @@
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@@ -797,26 +797,26 @@
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@@ -839,26 +839,26 @@
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@@ -867,13 +867,13 @@
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-    <nuclide ao="5.037799887862635e-09" name="Xe135" />
-    <nuclide ao="1.6931304843173707e-06" name="Xe136" />
+    <nuclide ao="5.037799887862632e-09" name="Xe135" />
+    <nuclide ao="1.6931304843173695e-06" name="Xe136" />
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   <material depletable="true" id="64" temperature="293.6" volume="0.06674732823364922">
     <density units="sum" />
@@ -881,7 +881,7 @@
     <nuclide ao="0.00011276839999999999" name="O17" />
     <nuclide ao="4.3155946331553374e-07" name="Cs135" />
     <nuclide ao="8.408717020675131e-09" name="Gd156" />
-    <nuclide ao="4.119293155517889e-10" name="Gd157" />
+    <nuclide ao="4.1192931555178943e-10" name="Gd157" />
     <nuclide ao="1.0146134311128144e-08" name="I135" />
     <nuclide ao="1.004500917944451e-05" name="U234" />
     <nuclide ao="0.0010138336101878384" name="U235" />
@@ -900,21 +900,21 @@
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     <nuclide ao="0.0010175217978502574" name="U235" />
     <nuclide ao="0.02213428335011924" name="U238" />
-    <nuclide ao="4.817103365460689e-09" name="Xe135" />
-    <nuclide ao="1.736491146887201e-06" name="Xe136" />
+    <nuclide ao="4.8171033654606865e-09" name="Xe135" />
+    <nuclide ao="1.7364911468872036e-06" name="Xe136" />
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   <material depletable="true" id="66" temperature="293.6" volume="0.06674732823364922">
     <density units="sum" />
     <nuclide ao="0.046295399999999994" name="O16" />
     <nuclide ao="0.00011276839999999999" name="O17" />
-    <nuclide ao="4.6249581820235055e-07" name="Cs135" />
+    <nuclide ao="4.6249581820235097e-07" name="Cs135" />
     <nuclide ao="8.572410030220836e-09" name="Gd156" />
-    <nuclide ao="3.958985189864489e-10" name="Gd157" />
+    <nuclide ao="3.9589851898644926e-10" name="Gd157" />
     <nuclide ao="1.1470322368180702e-08" name="I135" />
     <nuclide ao="1.0044754227774947e-05" name="U234" />
     <nuclide ao="0.001012600780771411" name="U235" />
     <nuclide ao="0.022134457548903287" name="U238" />
-    <nuclide ao="5.267287889744424e-09" name="Xe135" />
+    <nuclide ao="5.2672878897444246e-09" name="Xe135" />
     <nuclide ao="1.947076459381606e-06" name="Xe136" />
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   <material depletable="true" id="67" temperature="293.6" volume="0.06674732823364922">
@@ -922,8 +922,8 @@
     <nuclide ao="0.046295399999999994" name="O16" />
     <nuclide ao="0.00011276839999999999" name="O17" />
     <nuclide ao="4.514821244247708e-07" name="Cs135" />
-    <nuclide ao="7.888980777214178e-09" name="Gd156" />
-    <nuclide ao="3.943731183361514e-10" name="Gd157" />
+    <nuclide ao="7.888980777214183e-09" name="Gd156" />
+    <nuclide ao="3.943731183361515e-10" name="Gd157" />
     <nuclide ao="9.096319095429609e-09" name="I135" />
     <nuclide ao="1.0045086971880225e-05" name="U234" />
     <nuclide ao="0.001016165183486977" name="U235" />
@@ -934,14 +934,14 @@
   <material depletable="true" id="68" temperature="293.6" volume="0.06674732823364922">
     <density units="sum" />
     <nuclide ao="0.0464035" name="O16" />
-    <nuclide ao="4.001714979821851e-07" name="Cs135" />
+    <nuclide ao="4.0017149798218536e-07" name="Cs135" />
     <nuclide ao="4.601018035351548e-09" name="Gd156" />
     <nuclide ao="1.6199371284731447e-05" name="Gd157" />
-    <nuclide ao="5.923365153621547e-09" name="I135" />
+    <nuclide ao="5.9233651536215515e-09" name="I135" />
     <nuclide ao="9.9948280076224e-22" name="U234" />
     <nuclide ao="0.0010172176953620639" name="U235" />
     <nuclide ao="0.021691863443143826" name="U238" />
-    <nuclide ao="5.099605733937212e-09" name="Xe135" />
+    <nuclide ao="5.099605733937214e-09" name="Xe135" />
     <nuclide ao="6.270359768576665e-07" name="Xe136" />
   </material>
   <material depletable="true" id="69" temperature="293.6" volume="0.06674732823364922">
@@ -950,7 +950,7 @@
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     <nuclide ao="4.373002216816769e-07" name="Cs135" />
     <nuclide ao="8.10466894697993e-09" name="Gd156" />
-    <nuclide ao="3.980082090165549e-10" name="Gd157" />
+    <nuclide ao="3.9800820901655483e-10" name="Gd157" />
     <nuclide ao="1.0466366392018935e-08" name="I135" />
     <nuclide ao="1.0045621879498482e-05" name="U234" />
     <nuclide ao="0.001013582403388038" name="U235" />
@@ -964,12 +964,12 @@
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     <nuclide ao="4.3531353442394307e-07" name="Cs135" />
     <nuclide ao="7.81003289792918e-09" name="Gd156" />
-    <nuclide ao="4.2318823058011106e-10" name="Gd157" />
-    <nuclide ao="9.994767275045175e-09" name="I135" />
+    <nuclide ao="4.231882305801109e-10" name="Gd157" />
+    <nuclide ao="9.994767275045177e-09" name="I135" />
     <nuclide ao="1.0044404992700028e-05" name="U234" />
     <nuclide ao="0.00101745168907518" name="U235" />
     <nuclide ao="0.02213450398339581" name="U238" />
-    <nuclide ao="5.08663157763046e-09" name="Xe135" />
+    <nuclide ao="5.086631577630462e-09" name="Xe135" />
     <nuclide ao="1.714351229930211e-06" name="Xe136" />
   </material>
   <material depletable="true" id="71" temperature="293.6" volume="0.06674732823364922">
@@ -983,21 +983,21 @@
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     <nuclide ao="0.001018948265719757" name="U235" />
     <nuclide ao="0.022134724441539442" name="U238" />
-    <nuclide ao="5.21779956108209e-09" name="Xe135" />
+    <nuclide ao="5.2177995610820925e-09" name="Xe135" />
     <nuclide ao="1.6384969094902849e-06" name="Xe136" />
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   <material depletable="true" id="72" temperature="293.6" volume="0.06674732823364922">
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     <nuclide ao="0.046295399999999994" name="O16" />
     <nuclide ao="0.00011276839999999999" name="O17" />
-    <nuclide ao="4.2989214569673393e-07" name="Cs135" />
+    <nuclide ao="4.298921456967344e-07" name="Cs135" />
     <nuclide ao="7.472175332876386e-09" name="Gd156" />
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-    <nuclide ao="4.6952831306275485e-09" name="Xe135" />
+    <nuclide ao="4.695283130627553e-09" name="Xe135" />
     <nuclide ao="1.5908358918951317e-06" name="Xe136" />
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   <material id="73" temperature="293.6" volume="0.017528298008244847">
diff --git a/tests/regression_tests/deplete_with_transport/test_reference.h5 b/tests/regression_tests/deplete_with_transport/test_reference.h5
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diff --git a/tests/regression_tests/source/results_true.dat b/tests/regression_tests/source/results_true.dat
index 62eaf6eff..f0d69afb5 100644
--- a/tests/regression_tests/source/results_true.dat
+++ b/tests/regression_tests/source/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-2.865754E-01 6.762423E-03
+3.073726E-01 2.535074E-03
diff --git a/tests/regression_tests/surface_source/surface_source_true.h5 b/tests/regression_tests/surface_source/surface_source_true.h5
index c26afee8671dba0b729d6959614a6856166bd37a..eb65846d1cf33d6a2c49af364275d7ec0c053637 100644
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From a953938bdfdf82918b517d9fc6c820ad1ff44ba1 Mon Sep 17 00:00:00 2001
From: Patrick Myers <90068356+myerspat@users.noreply.github.com>
Date: Wed, 21 Dec 2022 15:39:13 -0600
Subject: [PATCH 1404/2654] Change alias sampling comment

Co-authored-by: Paul Wilson <paul.wilson@wisc.edu>
---
 src/distribution.cpp | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/src/distribution.cpp b/src/distribution.cpp
index cd3e3fe72..4634aa9d6 100644
--- a/src/distribution.cpp
+++ b/src/distribution.cpp
@@ -71,7 +71,7 @@ void Discrete::init_alias() {
     p_[k] += p_[j] - 1.0;
     alias_[j] = k;
 
-    // Remove last vector element and or move large index to small vector
+    // Move large index to small vector, if it is no longer large
     if (p_[k] < 1.0) {
       small.push_back(k);
       large.pop_back();

From dd569c616cf063257aa69c37418d8a0cecca06d1 Mon Sep 17 00:00:00 2001
From: myerspat <myerspat@umich.edu>
Date: Wed, 21 Dec 2022 16:59:04 -0500
Subject: [PATCH 1405/2654] increased stdev width to 4

---
 tests/cpp_unit_tests/test_distribution.cpp | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/tests/cpp_unit_tests/test_distribution.cpp b/tests/cpp_unit_tests/test_distribution.cpp
index 41cb2b4c4..d95dee498 100644
--- a/tests/cpp_unit_tests/test_distribution.cpp
+++ b/tests/cpp_unit_tests/test_distribution.cpp
@@ -37,7 +37,7 @@ TEST_CASE("Test alias method sampling of a discrete distribution")
 
   // Require sampled distribution mean is within 3 standard deviations of the
   // expected mean
-  REQUIRE(std::abs(dist_mean - mean) < 3 * std);
+  REQUIRE(std::abs(dist_mean - mean) < 4 * std);
 }
 
 TEST_CASE("Test alias sampling method for pugixml constructor")

From ff48f53595144aa0ecbc1f44f2d28428a7306633 Mon Sep 17 00:00:00 2001
From: erkn <erik@vonbrun.org>
Date: Thu, 22 Dec 2022 12:04:29 +0100
Subject: [PATCH 1406/2654] skip mcpl-test if it is not enabled

patterned after the dagmc-tests
This required the MCPL_ENABLED symbol to be unmangled
---
 include/openmc/source.h                         | 1 +
 tests/regression_tests/source_mcpl_file/test.py | 7 +++++--
 2 files changed, 6 insertions(+), 2 deletions(-)

diff --git a/include/openmc/source.h b/include/openmc/source.h
index bb7e2d55f..051167b3f 100644
--- a/include/openmc/source.h
+++ b/include/openmc/source.h
@@ -32,6 +32,7 @@ constexpr double EXTSRC_REJECT_FRACTION {0.05};
 //==============================================================================
 // Global variables
 //==============================================================================
+extern "C" const bool MCPL_ENABLED;
 
 class Source;
 
diff --git a/tests/regression_tests/source_mcpl_file/test.py b/tests/regression_tests/source_mcpl_file/test.py
index a005fc2d8..0b8e79104 100644
--- a/tests/regression_tests/source_mcpl_file/test.py
+++ b/tests/regression_tests/source_mcpl_file/test.py
@@ -1,10 +1,13 @@
 #!/usr/bin/env python
-
+import openmc.lib
+import pytest
 import glob
 import os
 
 from tests.testing_harness import *
-
+pytestmark = pytest.mark.skipif(
+    not openmc.lib._mcpl_enabled(),
+    reason="MCPL is not enabled.")
 
 settings1="""<?xml version="1.0"?>
 <settings>

From fe19cfcdd25966c3ab5cce056b9337c50e3e7743 Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erik.knudsen@copenhagenatomics.com>
Date: Thu, 22 Dec 2022 17:16:16 +0100
Subject: [PATCH 1407/2654] set seed to get a deterministic test and set result

---
 tests/regression_tests/source_mcpl_file/results_true.dat | 2 +-
 tests/regression_tests/source_mcpl_file/settings.xml     | 1 +
 tests/regression_tests/source_mcpl_file/test.py          | 1 +
 3 files changed, 3 insertions(+), 1 deletion(-)

diff --git a/tests/regression_tests/source_mcpl_file/results_true.dat b/tests/regression_tests/source_mcpl_file/results_true.dat
index 19460623f..e8f4a20a0 100644
--- a/tests/regression_tests/source_mcpl_file/results_true.dat
+++ b/tests/regression_tests/source_mcpl_file/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-3.039964E-01 3.654869E-04
+3.004254E-01 8.027600E-04
diff --git a/tests/regression_tests/source_mcpl_file/settings.xml b/tests/regression_tests/source_mcpl_file/settings.xml
index 47b010bff..2e511461f 100644
--- a/tests/regression_tests/source_mcpl_file/settings.xml
+++ b/tests/regression_tests/source_mcpl_file/settings.xml
@@ -1,5 +1,6 @@
 <?xml version="1.0"?>
 <settings>
+  <seed>1234</seed>
   <state_point batches="10" />
   <source_point mcpl="true" separate="true" />
   <eigenvalue>
diff --git a/tests/regression_tests/source_mcpl_file/test.py b/tests/regression_tests/source_mcpl_file/test.py
index 0b8e79104..e87479c5a 100644
--- a/tests/regression_tests/source_mcpl_file/test.py
+++ b/tests/regression_tests/source_mcpl_file/test.py
@@ -11,6 +11,7 @@ pytestmark = pytest.mark.skipif(
 
 settings1="""<?xml version="1.0"?>
 <settings>
+  <seed>1234</seed>
   <state_point batches="10" />
   <source_point mcpl="true" separate="true" />
   <eigenvalue>

From e9c6b03b9e2f5fb50875c64a8a33db8eda1059dd Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erik.knudsen@copenhagenatomics.com>
Date: Thu, 22 Dec 2022 17:17:50 +0100
Subject: [PATCH 1408/2654] remove dead code

---
 tests/regression_tests/source_mcpl_file/test.py | 3 ---
 1 file changed, 3 deletions(-)

diff --git a/tests/regression_tests/source_mcpl_file/test.py b/tests/regression_tests/source_mcpl_file/test.py
index e87479c5a..649278319 100644
--- a/tests/regression_tests/source_mcpl_file/test.py
+++ b/tests/regression_tests/source_mcpl_file/test.py
@@ -93,9 +93,6 @@ class SourceFileTestHarness(TestHarness):
     def _cleanup(self):
         TestHarness._cleanup(self)
         output = glob.glob(os.path.join(os.getcwd(), 'source.*'))
-        #for f in output:
-        #    if os.path.exists(f):
-        #        os.remove(f)
         with open('settings.xml','w') as fh:
             fh.write(settings1)
 

From 4d7797c25b3932aaa166b4a6b12c4ffebd48d925 Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erik.knudsen@copenhagenatomics.com>
Date: Thu, 22 Dec 2022 17:18:37 +0100
Subject: [PATCH 1409/2654] mistake assigning the wrong variable

---
 src/settings.cpp | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/src/settings.cpp b/src/settings.cpp
index 5e8eb0e58..b0829c1ba 100644
--- a/src/settings.cpp
+++ b/src/settings.cpp
@@ -656,7 +656,7 @@ void read_settings_xml()
       source_write = get_node_value_bool(node_sp, "write");
     }
     if (check_for_node(node_sp, "mcpl")) {
-      source_write = get_node_value_bool(node_sp, "mcpl");
+      source_mcpl_write = get_node_value_bool(node_sp, "mcpl");
     }
     if (check_for_node(node_sp, "overwrite_latest")) {
       source_latest = get_node_value_bool(node_sp, "overwrite_latest");

From 51d3a0c2ce6079f18ea479c7efc158148236f5a7 Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erik.knudsen@copenhagenatomics.com>
Date: Thu, 22 Dec 2022 17:19:56 +0100
Subject: [PATCH 1410/2654] check for mcpl-input is in the cpp-layer now

---
 tests/regression_tests/source_mcpl_file/test.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/tests/regression_tests/source_mcpl_file/test.py b/tests/regression_tests/source_mcpl_file/test.py
index 649278319..60e0ad50f 100644
--- a/tests/regression_tests/source_mcpl_file/test.py
+++ b/tests/regression_tests/source_mcpl_file/test.py
@@ -35,7 +35,7 @@ settings2 = """<?xml version="1.0"?>
     <particles>1000</particles>
   </eigenvalue>
   <source>
-    <mcpl> source.10.{0} </mcpl>
+    <filename> source.10.{0} </filename>
   </source>
 </settings>
 """

From 28521c8384c6e68b6ee0f52a7a44425b4a6306bd Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 22 Dec 2022 10:53:40 -0600
Subject: [PATCH 1411/2654] Use vector::push_back for building MCPL FileSource

---
 src/source.cpp | 42 +++++++++++++++++++++++-------------------
 1 file changed, 23 insertions(+), 19 deletions(-)

diff --git a/src/source.cpp b/src/source.cpp
index 19d1c2a9d..4ab087e12 100644
--- a/src/source.cpp
+++ b/src/source.cpp
@@ -335,9 +335,8 @@ FileSource::FileSource(mcpl_file_t mcpl_file)
 {
   size_t n_sites = mcpl_hdr_nparticles(mcpl_file);
 
-  sites_.resize(n_sites);
   for (int i = 0; i < n_sites; i++) {
-    SourceSite site_;
+    SourceSite site;
 
     const mcpl_particle_t* mcpl_particle;
     // extract particle from mcpl-file
@@ -351,36 +350,41 @@ FileSource::FileSource(mcpl_file_t mcpl_file)
 
     switch (pdg) {
     case 2112:
-      site_.particle = ParticleType::neutron;
+      site.particle = ParticleType::neutron;
       break;
     case 22:
-      site_.particle = ParticleType::photon;
+      site.particle = ParticleType::photon;
       break;
     case 11:
-      site_.particle = ParticleType::electron;
+      site.particle = ParticleType::electron;
       break;
     case -11:
-      site_.particle = ParticleType::positron;
+      site.particle = ParticleType::positron;
       break;
     }
 
-    // particle is good, convert to openmc-formalism
-    site_.r.x = mcpl_particle->position[0];
-    site_.r.y = mcpl_particle->position[1];
-    site_.r.z = mcpl_particle->position[2];
-
-    site_.u.x = mcpl_particle->direction[0];
-    site_.u.y = mcpl_particle->direction[1];
-    site_.u.z = mcpl_particle->direction[2];
+    // Copy position and direction
+    site.r.x = mcpl_particle->position[0];
+    site.r.y = mcpl_particle->position[1];
+    site.r.z = mcpl_particle->position[2];
+    site.u.x = mcpl_particle->direction[0];
+    site.u.y = mcpl_particle->direction[1];
+    site.u.z = mcpl_particle->direction[2];
 
     // mcpl stores kinetic energy in MeV
-    site_.E = mcpl_particle->ekin * 1e6;
+    site.E = mcpl_particle->ekin * 1e6;
     // mcpl stores time in ms
-    site_.time = mcpl_particle->time * 1e-3;
-    site_.wgt = mcpl_particle->weight;
-    site_.delayed_group = 0;
-    sites_[i] = site_;
+    site.time = mcpl_particle->time * 1e-3;
+    site.wgt = mcpl_particle->weight;
+    sites_.push_back(site);
   }
+
+  // Check that some sites were read
+  if (sites_.empty()) {
+    fatal_error("MCPL file contained no neutron, photon, electron, or positron "
+                "source particles.");
+  }
+
   mcpl_close_file(mcpl_file);
 }
 #endif // OPENMC_MCPL

From 987293cfffb2934359b0c1f0dcd685eb8140fd63 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 22 Dec 2022 10:57:11 -0600
Subject: [PATCH 1412/2654] Small fixes and formatting changes

---
 docs/source/io_formats/settings.rst |  8 ++--
 include/openmc/state_point.h        |  3 +-
 openmc/settings.py                  |  2 +-
 src/settings.cpp                    | 17 ++++---
 src/simulation.cpp                  | 10 ++---
 src/state_point.cpp                 | 70 ++++++++++++++---------------
 6 files changed, 57 insertions(+), 53 deletions(-)

diff --git a/docs/source/io_formats/settings.rst b/docs/source/io_formats/settings.rst
index a162e8de6..7174c5317 100644
--- a/docs/source/io_formats/settings.rst
+++ b/docs/source/io_formats/settings.rst
@@ -768,10 +768,10 @@ certain surfaces and write out the source bank in a separate file called
     *Default*: None
 
   :mcpl:
-    An optional boolean which indicates if the banked particles should
-    be written to a file in the MCPL-format (documented in mcpl_).
-    instead of the native hdf5-based format.If activated the output
-    output file name is altered to ``surface_source.mcpl``
+    An optional boolean which indicates if the banked particles should be
+    written to a file in the MCPL-format (documented in mcpl_). instead of the
+    native HDF5-based format. If activated the output file name is changed to
+    ``surface_source.mcpl``.
 
     *Default*: false
 
diff --git a/include/openmc/state_point.h b/include/openmc/state_point.h
index 698ed2c93..730127554 100644
--- a/include/openmc/state_point.h
+++ b/include/openmc/state_point.h
@@ -26,7 +26,8 @@ void restart_set_keff();
 void write_unstructured_mesh_results();
 
 #ifdef OPENMC_MCPL
-void write_mcpl_source_point(const char* filename, bool surf_source_bank = false);
+void write_mcpl_source_point(
+  const char* filename, bool surf_source_bank = false);
 void write_mcpl_source_bank(mcpl_outfile_t file_id, bool surf_source_bank);
 #endif
 
diff --git a/openmc/settings.py b/openmc/settings.py
index b2c184f78..fd622870c 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -1349,7 +1349,7 @@ class Settings:
                     elif key in ('max_particles'):
                         value = int(value)
                     elif key == 'mcpl':
-                        value = True
+                        value = value in ('true', '1')
                     self.surf_source_write[key] = value
 
     def _confidence_intervals_from_xml_element(self, root):
diff --git a/src/settings.cpp b/src/settings.cpp
index b0829c1ba..de298c58d 100644
--- a/src/settings.cpp
+++ b/src/settings.cpp
@@ -432,12 +432,15 @@ void read_settings_xml()
     if (check_for_node(node, "file")) {
       auto path = get_node_value(node, "file", false, true);
 #ifdef OPENMC_MCPL
-      if ( (path.size() >= 5 && path.compare(path.size()-5,5,".mcpl")==0 ) ||
-          (path.size() >= 8 && path.compare(path.size()-8,8,".mcpl.gz")==0 ) ) {
-        model::external_sources.push_back(make_unique<FileSource>(mcpl_open_file(path.c_str())));
-      } else
-#endif
+      if (ends_with(path, ".mcpl") || ends_with(path, ".mcpl.gz")) {
+        model::external_sources.push_back(
+          make_unique<FileSource>(mcpl_open_file(path.c_str())));
+      } else {
         model::external_sources.push_back(make_unique<FileSource>(path));
+      }
+#else
+      model::external_sources.push_back(make_unique<FileSource>(path));
+#endif
     } else if (check_for_node(node, "library")) {
       // Get shared library path and parameters
       auto path = get_node_value(node, "library", false, true);
@@ -689,8 +692,8 @@ void read_settings_xml()
         std::stoll(get_node_value(node_ssw, "max_particles"));
     }
 #ifdef OPENMC_MCPL
-    if(check_for_node(node_ssw, "mcpl")){
-      surf_mcpl_write=true;
+    if (check_for_node(node_ssw, "mcpl")) {
+      surf_mcpl_write = true;
     }
 #endif
   }
diff --git a/src/simulation.cpp b/src/simulation.cpp
index d7cc2237d..2c1d1c988 100644
--- a/src/simulation.cpp
+++ b/src/simulation.cpp
@@ -390,7 +390,7 @@ void finalize_batch()
   if (settings::run_mode == RunMode::EIGENVALUE) {
     // Write out a separate source point if it's been specified for this batch
 #ifdef OPENMC_MCPL
-    if(! settings::source_mcpl_write) {
+    if (!settings::source_mcpl_write) {
 #endif
       if (contains(settings::sourcepoint_batch, simulation::current_batch) &&
           settings::source_write && settings::source_separate) {
@@ -405,8 +405,8 @@ void finalize_batch()
 #ifdef OPENMC_MCPL
     } else {
       if (contains(settings::sourcepoint_batch, simulation::current_batch) &&
-            settings::source_mcpl_write && settings::source_separate) {
-          write_mcpl_source_point(nullptr);
+          settings::source_mcpl_write && settings::source_separate) {
+        write_mcpl_source_point(nullptr);
       }
 
       // Write a continously-overwritten source point if requested.
@@ -425,12 +425,12 @@ void finalize_batch()
     write_source_point(filename.c_str(), true);
   }
 #ifdef OPENMC_MCPL
-  if(settings::surf_mcpl_write && simulation::current_batch == settings::n_batches){
+  if (settings::surf_mcpl_write &&
+      simulation::current_batch == settings::n_batches) {
     auto filename = settings::path_output + "surface_source.mcpl";
     write_mcpl_source_point(filename.c_str(), true);
   }
 #endif
-
 }
 
 void initialize_generation()
diff --git a/src/state_point.cpp b/src/state_point.cpp
index 3ee5f13b3..9dd0f1374 100644
--- a/src/state_point.cpp
+++ b/src/state_point.cpp
@@ -604,7 +604,7 @@ void write_source_point(const char* filename, bool surf_source_bank)
 }
 
 #ifdef OPENMC_MCPL
-void write_mcpl_source_point(const char *filename, bool surf_source_bank)
+void write_mcpl_source_point(const char* filename, bool surf_source_bank)
 {
   std::string filename_;
   if (filename) {
@@ -622,21 +622,21 @@ void write_mcpl_source_point(const char *filename, bool surf_source_bank)
   std::string line;
   if (mpi::master) {
     file_id = mcpl_create_outfile(filename_.c_str());
-    if (VERSION_DEV){
-      line=fmt::format("OpenMC {0}.{1}.{2}-development",VERSION_MAJOR,VERSION_MINOR,VERSION_RELEASE);
+    if (VERSION_DEV) {
+      line = fmt::format("OpenMC {0}.{1}.{2}-development", VERSION_MAJOR,
+        VERSION_MINOR, VERSION_RELEASE);
     } else {
-      line=fmt::format("OpenMC {0}.{1}.{2}",VERSION_MAJOR,VERSION_MINOR,VERSION_RELEASE);
+      line = fmt::format(
+        "OpenMC {0}.{1}.{2}", VERSION_MAJOR, VERSION_MINOR, VERSION_RELEASE);
     }
-    mcpl_hdr_set_srcname(file_id,line.c_str());
+    mcpl_hdr_set_srcname(file_id, line.c_str());
   }
 
   write_mcpl_source_bank(file_id, surf_source_bank);
 
   if (mpi::master) {
-    //change this - this is h5 specific
     mcpl_close_outfile(file_id);
   }
-
 }
 #endif
 
@@ -768,7 +768,7 @@ void write_mcpl_source_bank(mcpl_outfile_t file_id, bool surf_source_bank)
   vector<int64_t> surf_source_index_vector;
   vector<SourceSite> surf_source_bank_vector;
 
-  if(surf_source_bank) {
+  if (surf_source_bank) {
     surf_source_index_vector = calculate_surf_source_size();
     dims_size = surf_source_index_vector[mpi::n_procs];
     count_size = simulation::surf_source_bank.size();
@@ -790,55 +790,56 @@ void write_mcpl_source_bank(mcpl_outfile_t file_id, bool surf_source_bank)
     vector<SourceSite> temp_source {source_bank->begin(), source_bank->end()};
 #endif
 
-    //loop over the other nodes and receive data - then write those.
+    // loop over the other nodes and receive data - then write those.
     for (int i = 0; i < mpi::n_procs; ++i) {
       // number of particles for node node i
       size_t count[] {
         static_cast<size_t>((*bank_index)[i + 1] - (*bank_index)[i])};
 
 #ifdef OPENMC_MPI
-      if (i>0)
+      if (i > 0)
         MPI_Recv(source_bank->data(), count[0], mpi::source_site, i, i,
           mpi::intracomm, MPI_STATUS_IGNORE);
 #endif
       // now write the source_bank data again.
-      for (vector<SourceSite>::iterator _site=source_bank->begin(); _site!=source_bank->end();_site++){
+      for (vector<SourceSite>::iterator _site = source_bank->begin();
+           _site != source_bank->end(); _site++) {
         // particle is now at the iterator
         // write it to the mcpl-file
         mcpl_particle_t p;
-        p.position[0]=_site->r.x;
-        p.position[1]=_site->r.y;
-        p.position[2]=_site->r.z;
+        p.position[0] = _site->r.x;
+        p.position[1] = _site->r.y;
+        p.position[2] = _site->r.z;
 
         // mcpl requires that the direction vector is unit length
         // which is also the case in openmc
-        p.direction[0]=_site->u.x;
-        p.direction[1]=_site->u.y;
-        p.direction[2]=_site->u.z;
+        p.direction[0] = _site->u.x;
+        p.direction[1] = _site->u.y;
+        p.direction[2] = _site->u.z;
 
         // mcpl stores kinetic energy in MeV
-        p.ekin=_site->E*1e-6;
+        p.ekin = _site->E * 1e-6;
 
-        p.time=_site->time*1e3;
+        p.time = _site->time * 1e3;
 
-        p.weight=_site->wgt;
+        p.weight = _site->wgt;
 
-        switch(_site->particle){
-          case ParticleType::neutron:
-            p.pdgcode=2112;
-            break;
-          case ParticleType::photon:
-            p.pdgcode=22;
-            break;
-          case ParticleType::electron:
-            p.pdgcode=11;
-            break;
-          case ParticleType::positron:
-            p.pdgcode=-11;
-            break;
+        switch (_site->particle) {
+        case ParticleType::neutron:
+          p.pdgcode = 2112;
+          break;
+        case ParticleType::photon:
+          p.pdgcode = 22;
+          break;
+        case ParticleType::electron:
+          p.pdgcode = 11;
+          break;
+        case ParticleType::positron:
+          p.pdgcode = -11;
+          break;
         }
 
-        mcpl_add_particle(file_id,&p);
+        mcpl_add_particle(file_id, &p);
       }
     }
 #ifdef OPENMC_MPI
@@ -851,7 +852,6 @@ void write_mcpl_source_bank(mcpl_outfile_t file_id, bool surf_source_bank)
       mpi::intracomm);
 #endif
   }
-
 }
 #endif
 

From a3065b479c0a47caae6229fa8657da59668be1e9 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 22 Dec 2022 11:33:29 -0600
Subject: [PATCH 1413/2654] Move FileSource MCPL reading to
 mcpl_interface.h/cpp

---
 CMakeLists.txt                  |  1 +
 include/openmc/mcpl_interface.h | 25 +++++++++
 include/openmc/source.h         | 10 +---
 src/mcpl_interface.cpp          | 93 +++++++++++++++++++++++++++++++++
 src/settings.cpp                | 11 ++--
 src/source.cpp                  | 69 ------------------------
 6 files changed, 126 insertions(+), 83 deletions(-)
 create mode 100644 include/openmc/mcpl_interface.h
 create mode 100644 src/mcpl_interface.cpp

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 24018eb0f..af3a5b4af 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -331,6 +331,7 @@ list(APPEND libopenmc_SOURCES
   src/lattice.cpp
   src/material.cpp
   src/math_functions.cpp
+  src/mcpl_interface.cpp
   src/mesh.cpp
   src/message_passing.cpp
   src/mgxs.cpp
diff --git a/include/openmc/mcpl_interface.h b/include/openmc/mcpl_interface.h
new file mode 100644
index 000000000..89dab16bc
--- /dev/null
+++ b/include/openmc/mcpl_interface.h
@@ -0,0 +1,25 @@
+#ifndef OPENMC_MCPL_INTERFACE_H
+#define OPENMC_MCPL_INTERFACE_H
+
+#include "openmc/particle_data.h"
+
+#include <string>
+#include <vector>
+
+#ifdef OPENMC_MCPL
+#include <mcpl.h>
+#endif
+
+namespace openmc {
+
+extern "C" const bool MCPL_ENABLED;
+
+//! Get a vector of source sites from an MCPL file
+//
+//! \param[in] path  Path to MCPL file
+//! \return  Vector of source sites
+vector<SourceSite> mcpl_source_sites(std::string path);
+
+} // namespace openmc
+
+#endif // OPENMC_MCPL_INTERFACE_H
diff --git a/include/openmc/source.h b/include/openmc/source.h
index 051167b3f..96d659dcb 100644
--- a/include/openmc/source.h
+++ b/include/openmc/source.h
@@ -14,10 +14,6 @@
 #include "openmc/particle.h"
 #include "openmc/vector.h"
 
-#ifdef OPENMC_MCPL
-#include <mcpl.h>
-#endif
-
 namespace openmc {
 
 //==============================================================================
@@ -32,7 +28,6 @@ constexpr double EXTSRC_REJECT_FRACTION {0.05};
 //==============================================================================
 // Global variables
 //==============================================================================
-extern "C" const bool MCPL_ENABLED;
 
 class Source;
 
@@ -107,9 +102,8 @@ class FileSource : public Source {
 public:
   // Constructors
   explicit FileSource(std::string path);
-#ifdef OPENMC_MCPL
-  explicit FileSource(mcpl_file_t mcpl_file);
-#endif
+  explicit FileSource(const vector<SourceSite>& sites) : sites_ {sites} {}
+
   // Methods
   SourceSite sample(uint64_t* seed) const override;
 
diff --git a/src/mcpl_interface.cpp b/src/mcpl_interface.cpp
new file mode 100644
index 000000000..d55cc5af7
--- /dev/null
+++ b/src/mcpl_interface.cpp
@@ -0,0 +1,93 @@
+#include "openmc/mcpl_interface.h"
+
+#include "openmc/error.h"
+
+#ifdef OPENMC_MCPL
+#include <mcpl.h>
+#endif
+
+namespace openmc {
+
+#ifdef OPENMC_MCPL
+const bool MCPL_ENABLED = true;
+#else
+const bool MCPL_ENABLED = false;
+#endif
+
+#ifdef OPENMC_MCPL
+SourceSite mcpl_particle_to_site(const mcpl_particle* particle)
+{
+  SourceSite site;
+
+  switch (particle->pdgcode) {
+  case 2112:
+    site.particle = ParticleType::neutron;
+    break;
+  case 22:
+    site.particle = ParticleType::photon;
+    break;
+  case 11:
+    site.particle = ParticleType::electron;
+    break;
+  case -11:
+    site.particle = ParticleType::positron;
+    break;
+  }
+
+  // Copy position and direction
+  site.r.x = mcpl_particle->position[0];
+  site.r.y = mcpl_particle->position[1];
+  site.r.z = mcpl_particle->position[2];
+  site.u.x = mcpl_particle->direction[0];
+  site.u.y = mcpl_particle->direction[1];
+  site.u.z = mcpl_particle->direction[2];
+
+  // mcpl stores kinetic energy in MeV
+  site.E = mcpl_particle->ekin * 1e6;
+  // mcpl stores time in ms
+  site.time = mcpl_particle->time * 1e-3;
+  site.wgt = mcpl_particle->weight;
+
+  return site;
+}
+#endif
+
+vector<SourceSite> mcpl_source_sites(std::string path)
+{
+  vector<SourceSite> sites;
+
+#ifdef OPENMC_MCPL
+  size_t n_sites = mcpl_hdr_nparticles(mcpl_file);
+
+  for (int i = 0; i < n_sites; i++) {
+    SourceSite site;
+
+    // Extract particle from mcpl-file, checking if it is a neutron, photon,
+    // electron, or positron. Otherwise skip.
+    const mcpl_particle_t* particle;
+    int pdg = 0;
+    while (pdg != 2112 && pdg != 22 && pdg != 11 && pdg != -11) {
+      particle = mcpl_read(mcpl_file);
+      pdg = mcpl_particle->pdgcode;
+    }
+
+    // Convert to source site and add to vector
+    sites.push_back(mcpl_particle_to_site(particle));
+  }
+
+  // Check that some sites were read
+  if (sites_.empty()) {
+    fatal_error("MCPL file contained no neutron, photon, electron, or positron "
+                "source particles.");
+  }
+
+  mcpl_close_file(mcpl_file);
+#else
+  fatal_error(
+    "Your build of OpenMC does not support reading MCPL source files.");
+#endif
+
+  return sites;
+}
+
+} // namespace openmc
diff --git a/src/settings.cpp b/src/settings.cpp
index de298c58d..bc31e2c4d 100644
--- a/src/settings.cpp
+++ b/src/settings.cpp
@@ -18,6 +18,7 @@
 #include "openmc/eigenvalue.h"
 #include "openmc/error.h"
 #include "openmc/file_utils.h"
+#include "openmc/mcpl_interface.h"
 #include "openmc/mesh.h"
 #include "openmc/message_passing.h"
 #include "openmc/output.h"
@@ -431,16 +432,14 @@ void read_settings_xml()
   for (pugi::xml_node node : root.children("source")) {
     if (check_for_node(node, "file")) {
       auto path = get_node_value(node, "file", false, true);
-#ifdef OPENMC_MCPL
       if (ends_with(path, ".mcpl") || ends_with(path, ".mcpl.gz")) {
-        model::external_sources.push_back(
-          make_unique<FileSource>(mcpl_open_file(path.c_str())));
+#ifdef OPENMC_MCPL
+        auto sites = mcpl_source_sites(path);
+        model::external_sources.push_back(make_unique<FileSource>(sites));
+#endif
       } else {
         model::external_sources.push_back(make_unique<FileSource>(path));
       }
-#else
-      model::external_sources.push_back(make_unique<FileSource>(path));
-#endif
     } else if (check_for_node(node, "library")) {
       // Get shared library path and parameters
       auto path = get_node_value(node, "library", false, true);
diff --git a/src/source.cpp b/src/source.cpp
index 4ab087e12..d201e3c03 100644
--- a/src/source.cpp
+++ b/src/source.cpp
@@ -33,22 +33,12 @@
 #include "openmc/state_point.h"
 #include "openmc/xml_interface.h"
 
-#ifdef OPENMC_MCPL
-#include <mcpl.h>
-#endif
-
 namespace openmc {
 
 //==============================================================================
 // Global variables
 //==============================================================================
 
-#ifdef OPENMC_MCPL
-const bool MCPL_ENABLED = true;
-#else
-const bool MCPL_ENABLED = false;
-#endif
-
 namespace model {
 
 vector<unique_ptr<Source>> external_sources;
@@ -330,65 +320,6 @@ FileSource::FileSource(std::string path)
   file_close(file_id);
 }
 
-#ifdef OPENMC_MCPL
-FileSource::FileSource(mcpl_file_t mcpl_file)
-{
-  size_t n_sites = mcpl_hdr_nparticles(mcpl_file);
-
-  for (int i = 0; i < n_sites; i++) {
-    SourceSite site;
-
-    const mcpl_particle_t* mcpl_particle;
-    // extract particle from mcpl-file
-    mcpl_particle = mcpl_read(mcpl_file);
-    // check if it is a neutron, photon, electron, or positron. Otherwise skip.
-    int pdg = mcpl_particle->pdgcode;
-    while (pdg != 2112 && pdg != 22 && pdg != 11 && pdg != -11) {
-      mcpl_particle = mcpl_read(mcpl_file);
-      pdg = mcpl_particle->pdgcode;
-    }
-
-    switch (pdg) {
-    case 2112:
-      site.particle = ParticleType::neutron;
-      break;
-    case 22:
-      site.particle = ParticleType::photon;
-      break;
-    case 11:
-      site.particle = ParticleType::electron;
-      break;
-    case -11:
-      site.particle = ParticleType::positron;
-      break;
-    }
-
-    // Copy position and direction
-    site.r.x = mcpl_particle->position[0];
-    site.r.y = mcpl_particle->position[1];
-    site.r.z = mcpl_particle->position[2];
-    site.u.x = mcpl_particle->direction[0];
-    site.u.y = mcpl_particle->direction[1];
-    site.u.z = mcpl_particle->direction[2];
-
-    // mcpl stores kinetic energy in MeV
-    site.E = mcpl_particle->ekin * 1e6;
-    // mcpl stores time in ms
-    site.time = mcpl_particle->time * 1e-3;
-    site.wgt = mcpl_particle->weight;
-    sites_.push_back(site);
-  }
-
-  // Check that some sites were read
-  if (sites_.empty()) {
-    fatal_error("MCPL file contained no neutron, photon, electron, or positron "
-                "source particles.");
-  }
-
-  mcpl_close_file(mcpl_file);
-}
-#endif // OPENMC_MCPL
-
 SourceSite FileSource::sample(uint64_t* seed) const
 {
   size_t i_site = sites_.size() * prn(seed);

From 361b3486efa4c078e87a1c29f76e6ab4a1edc58e Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 22 Dec 2022 12:27:56 -0600
Subject: [PATCH 1414/2654] Move remainder of MCPL-related code to
 mcpl_interface.h/cpp

---
 CMakeLists.txt                  |   1 +
 include/openmc/mcpl_interface.h |  19 +++-
 include/openmc/state_point.h    |  10 --
 src/mcpl_interface.cpp          | 185 +++++++++++++++++++++++++++++---
 src/settings.cpp                |  18 +++-
 src/simulation.cpp              |   7 +-
 src/state_point.cpp             | 140 ------------------------
 7 files changed, 201 insertions(+), 179 deletions(-)

diff --git a/CMakeLists.txt b/CMakeLists.txt
index af3a5b4af..466816b30 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -164,6 +164,7 @@ endif()
 #===============================================================================
 if (OPENMC_USE_MCPL)
   find_package(MCPL REQUIRED)
+  message(STATUS "Found MCPL: ${MCPL_DIR} (found version \"${MCPL_VERSION}\")")
 endif()
 
 #===============================================================================
diff --git a/include/openmc/mcpl_interface.h b/include/openmc/mcpl_interface.h
index 89dab16bc..c931f1774 100644
--- a/include/openmc/mcpl_interface.h
+++ b/include/openmc/mcpl_interface.h
@@ -6,20 +6,31 @@
 #include <string>
 #include <vector>
 
-#ifdef OPENMC_MCPL
-#include <mcpl.h>
-#endif
-
 namespace openmc {
 
+//==============================================================================
+// Constants
+//==============================================================================
+
 extern "C" const bool MCPL_ENABLED;
 
+//==============================================================================
+// Functions
+//==============================================================================
+
 //! Get a vector of source sites from an MCPL file
 //
 //! \param[in] path  Path to MCPL file
 //! \return  Vector of source sites
 vector<SourceSite> mcpl_source_sites(std::string path);
 
+//! Write an MCPL source file
+//
+//! \param[in] filename  Path to MCPL file
+//! \param[in] surf_source_bank  Whether to use the surface source bank
+void write_mcpl_source_point(
+  const char* filename, bool surf_source_bank = false);
+
 } // namespace openmc
 
 #endif // OPENMC_MCPL_INTERFACE_H
diff --git a/include/openmc/state_point.h b/include/openmc/state_point.h
index 730127554..5ada2bf88 100644
--- a/include/openmc/state_point.h
+++ b/include/openmc/state_point.h
@@ -9,10 +9,6 @@
 #include "openmc/particle.h"
 #include "openmc/vector.h"
 
-#ifdef OPENMC_MCPL
-#include <mcpl.h>
-#endif
-
 namespace openmc {
 
 void load_state_point();
@@ -25,11 +21,5 @@ void write_tally_results_nr(hid_t file_id);
 void restart_set_keff();
 void write_unstructured_mesh_results();
 
-#ifdef OPENMC_MCPL
-void write_mcpl_source_point(
-  const char* filename, bool surf_source_bank = false);
-void write_mcpl_source_bank(mcpl_outfile_t file_id, bool surf_source_bank);
-#endif
-
 } // namespace openmc
 #endif // OPENMC_STATE_POINT_H
diff --git a/src/mcpl_interface.cpp b/src/mcpl_interface.cpp
index d55cc5af7..e9bc64830 100644
--- a/src/mcpl_interface.cpp
+++ b/src/mcpl_interface.cpp
@@ -1,6 +1,13 @@
 #include "openmc/mcpl_interface.h"
 
+#include "openmc/bank.h"
 #include "openmc/error.h"
+#include "openmc/message_passing.h"
+#include "openmc/settings.h"
+#include "openmc/simulation.h"
+#include "openmc/state_point.h"
+
+#include <fmt/core.h>
 
 #ifdef OPENMC_MCPL
 #include <mcpl.h>
@@ -8,14 +15,22 @@
 
 namespace openmc {
 
+//==============================================================================
+// Constants
+//==============================================================================
+
 #ifdef OPENMC_MCPL
 const bool MCPL_ENABLED = true;
 #else
 const bool MCPL_ENABLED = false;
 #endif
 
+//==============================================================================
+// Functions
+//==============================================================================
+
 #ifdef OPENMC_MCPL
-SourceSite mcpl_particle_to_site(const mcpl_particle* particle)
+SourceSite mcpl_particle_to_site(const mcpl_particle_t* particle)
 {
   SourceSite site;
 
@@ -35,40 +50,42 @@ SourceSite mcpl_particle_to_site(const mcpl_particle* particle)
   }
 
   // Copy position and direction
-  site.r.x = mcpl_particle->position[0];
-  site.r.y = mcpl_particle->position[1];
-  site.r.z = mcpl_particle->position[2];
-  site.u.x = mcpl_particle->direction[0];
-  site.u.y = mcpl_particle->direction[1];
-  site.u.z = mcpl_particle->direction[2];
+  site.r.x = particle->position[0];
+  site.r.y = particle->position[1];
+  site.r.z = particle->position[2];
+  site.u.x = particle->direction[0];
+  site.u.y = particle->direction[1];
+  site.u.z = particle->direction[2];
 
   // mcpl stores kinetic energy in MeV
-  site.E = mcpl_particle->ekin * 1e6;
+  site.E = particle->ekin * 1e6;
   // mcpl stores time in ms
-  site.time = mcpl_particle->time * 1e-3;
-  site.wgt = mcpl_particle->weight;
+  site.time = particle->time * 1e-3;
+  site.wgt = particle->weight;
 
   return site;
 }
 #endif
 
+//==============================================================================
+
 vector<SourceSite> mcpl_source_sites(std::string path)
 {
   vector<SourceSite> sites;
 
 #ifdef OPENMC_MCPL
+  // Open MCPL file and determine number of particles
+  auto mcpl_file = mcpl_open_file(path.c_str());
   size_t n_sites = mcpl_hdr_nparticles(mcpl_file);
 
   for (int i = 0; i < n_sites; i++) {
-    SourceSite site;
-
     // Extract particle from mcpl-file, checking if it is a neutron, photon,
     // electron, or positron. Otherwise skip.
     const mcpl_particle_t* particle;
     int pdg = 0;
     while (pdg != 2112 && pdg != 22 && pdg != 11 && pdg != -11) {
       particle = mcpl_read(mcpl_file);
-      pdg = mcpl_particle->pdgcode;
+      pdg = particle->pdgcode;
     }
 
     // Convert to source site and add to vector
@@ -76,7 +93,7 @@ vector<SourceSite> mcpl_source_sites(std::string path)
   }
 
   // Check that some sites were read
-  if (sites_.empty()) {
+  if (sites.empty()) {
     fatal_error("MCPL file contained no neutron, photon, electron, or positron "
                 "source particles.");
   }
@@ -90,4 +107,144 @@ vector<SourceSite> mcpl_source_sites(std::string path)
   return sites;
 }
 
+//==============================================================================
+
+#ifdef OPENMC_MCPL
+void write_mcpl_source_bank(mcpl_outfile_t file_id, bool surf_source_bank)
+{
+  int64_t dims_size = settings::n_particles;
+  int64_t count_size = simulation::work_per_rank;
+
+  // Set vectors for source bank and starting bank index of each process
+  vector<int64_t>* bank_index = &simulation::work_index;
+  vector<SourceSite>* source_bank = &simulation::source_bank;
+  vector<int64_t> surf_source_index_vector;
+  vector<SourceSite> surf_source_bank_vector;
+
+  if (surf_source_bank) {
+    surf_source_index_vector = calculate_surf_source_size();
+    dims_size = surf_source_index_vector[mpi::n_procs];
+    count_size = simulation::surf_source_bank.size();
+
+    bank_index = &surf_source_index_vector;
+
+    // Copy data in a SharedArray into a vector.
+    surf_source_bank_vector.resize(count_size);
+    surf_source_bank_vector.assign(simulation::surf_source_bank.data(),
+      simulation::surf_source_bank.data() + count_size);
+    source_bank = &surf_source_bank_vector;
+  }
+
+  if (mpi::master) {
+    // Particles are writeen to disk from the master node only
+
+    // Save source bank sites since the array is overwritten below
+#ifdef OPENMC_MPI
+    vector<SourceSite> temp_source {source_bank->begin(), source_bank->end()};
+#endif
+
+    // loop over the other nodes and receive data - then write those.
+    for (int i = 0; i < mpi::n_procs; ++i) {
+      // number of particles for node node i
+      size_t count[] {
+        static_cast<size_t>((*bank_index)[i + 1] - (*bank_index)[i])};
+
+#ifdef OPENMC_MPI
+      if (i > 0)
+        MPI_Recv(source_bank->data(), count[0], mpi::source_site, i, i,
+          mpi::intracomm, MPI_STATUS_IGNORE);
+#endif
+      // now write the source_bank data again.
+      for (vector<SourceSite>::iterator _site = source_bank->begin();
+           _site != source_bank->end(); _site++) {
+        // particle is now at the iterator
+        // write it to the mcpl-file
+        mcpl_particle_t p;
+        p.position[0] = _site->r.x;
+        p.position[1] = _site->r.y;
+        p.position[2] = _site->r.z;
+
+        // mcpl requires that the direction vector is unit length
+        // which is also the case in openmc
+        p.direction[0] = _site->u.x;
+        p.direction[1] = _site->u.y;
+        p.direction[2] = _site->u.z;
+
+        // mcpl stores kinetic energy in MeV
+        p.ekin = _site->E * 1e-6;
+
+        p.time = _site->time * 1e3;
+
+        p.weight = _site->wgt;
+
+        switch (_site->particle) {
+        case ParticleType::neutron:
+          p.pdgcode = 2112;
+          break;
+        case ParticleType::photon:
+          p.pdgcode = 22;
+          break;
+        case ParticleType::electron:
+          p.pdgcode = 11;
+          break;
+        case ParticleType::positron:
+          p.pdgcode = -11;
+          break;
+        }
+
+        mcpl_add_particle(file_id, &p);
+      }
+    }
+#ifdef OPENMC_MPI
+    // Restore state of source bank
+    std::copy(temp_source.begin(), temp_source.end(), source_bank->begin());
+#endif
+  } else {
+#ifdef OPENMC_MPI
+    MPI_Send(source_bank->data(), count_size, mpi::source_site, 0, mpi::rank,
+      mpi::intracomm);
+#endif
+  }
+}
+#endif
+
+//==============================================================================
+
+void write_mcpl_source_point(const char* filename, bool surf_source_bank)
+{
+  std::string filename_;
+  if (filename) {
+    filename_ = filename;
+  } else {
+    // Determine width for zero padding
+    int w = std::to_string(settings::n_max_batches).size();
+
+    filename_ = fmt::format("{0}source.{1:0{2}}.mcpl", settings::path_output,
+      simulation::current_batch, w);
+  }
+
+#ifdef OPENMC_MCPL
+  mcpl_outfile_t file_id;
+
+  std::string line;
+  if (mpi::master) {
+    file_id = mcpl_create_outfile(filename_.c_str());
+    if (VERSION_DEV) {
+      line = fmt::format("OpenMC {0}.{1}.{2}-development", VERSION_MAJOR,
+        VERSION_MINOR, VERSION_RELEASE);
+    } else {
+      line = fmt::format(
+        "OpenMC {0}.{1}.{2}", VERSION_MAJOR, VERSION_MINOR, VERSION_RELEASE);
+    }
+    mcpl_hdr_set_srcname(file_id, line.c_str());
+  }
+
+  write_mcpl_source_bank(file_id, surf_source_bank);
+
+  if (mpi::master) {
+    mcpl_close_outfile(file_id);
+  }
+#endif
+}
+
 } // namespace openmc
diff --git a/src/settings.cpp b/src/settings.cpp
index bc31e2c4d..cb39d0c8b 100644
--- a/src/settings.cpp
+++ b/src/settings.cpp
@@ -433,10 +433,8 @@ void read_settings_xml()
     if (check_for_node(node, "file")) {
       auto path = get_node_value(node, "file", false, true);
       if (ends_with(path, ".mcpl") || ends_with(path, ".mcpl.gz")) {
-#ifdef OPENMC_MCPL
         auto sites = mcpl_source_sites(path);
         model::external_sources.push_back(make_unique<FileSource>(sites));
-#endif
       } else {
         model::external_sources.push_back(make_unique<FileSource>(path));
       }
@@ -659,6 +657,12 @@ void read_settings_xml()
     }
     if (check_for_node(node_sp, "mcpl")) {
       source_mcpl_write = get_node_value_bool(node_sp, "mcpl");
+
+      // Make sure MCPL support is enabled
+      if (source_mcpl_write && !MCPL_ENABLED) {
+        fatal_error(
+          "Your build of OpenMC does not support writing MCPL source files.");
+      }
     }
     if (check_for_node(node_sp, "overwrite_latest")) {
       source_latest = get_node_value_bool(node_sp, "overwrite_latest");
@@ -690,11 +694,15 @@ void read_settings_xml()
       max_surface_particles =
         std::stoll(get_node_value(node_ssw, "max_particles"));
     }
-#ifdef OPENMC_MCPL
     if (check_for_node(node_ssw, "mcpl")) {
-      surf_mcpl_write = true;
+      surf_mcpl_write = get_node_value_bool(node_ssw, "mcpl");
+
+      // Make sure MCPL support is enabled
+      if (surf_mcpl_write && !MCPL_ENABLED) {
+        fatal_error("Your build of OpenMC does not support writing MCPL "
+                    "surface source files.");
+      }
     }
-#endif
   }
 
   // If source is not separate and is to be written out in the statepoint file,
diff --git a/src/simulation.cpp b/src/simulation.cpp
index 2c1d1c988..497b26124 100644
--- a/src/simulation.cpp
+++ b/src/simulation.cpp
@@ -8,6 +8,7 @@
 #include "openmc/event.h"
 #include "openmc/geometry_aux.h"
 #include "openmc/material.h"
+#include "openmc/mcpl_interface.h"
 #include "openmc/message_passing.h"
 #include "openmc/nuclide.h"
 #include "openmc/output.h"
@@ -389,9 +390,7 @@ void finalize_batch()
 
   if (settings::run_mode == RunMode::EIGENVALUE) {
     // Write out a separate source point if it's been specified for this batch
-#ifdef OPENMC_MCPL
     if (!settings::source_mcpl_write) {
-#endif
       if (contains(settings::sourcepoint_batch, simulation::current_batch) &&
           settings::source_write && settings::source_separate) {
         write_source_point(nullptr);
@@ -402,7 +401,6 @@ void finalize_batch()
         auto filename = settings::path_output + "source.h5";
         write_source_point(filename.c_str());
       }
-#ifdef OPENMC_MCPL
     } else {
       if (contains(settings::sourcepoint_batch, simulation::current_batch) &&
           settings::source_mcpl_write && settings::source_separate) {
@@ -415,7 +413,6 @@ void finalize_batch()
         write_mcpl_source_point(filename.c_str());
       }
     }
-#endif
   }
 
   // Write out surface source if requested.
@@ -424,13 +421,11 @@ void finalize_batch()
     auto filename = settings::path_output + "surface_source.h5";
     write_source_point(filename.c_str(), true);
   }
-#ifdef OPENMC_MCPL
   if (settings::surf_mcpl_write &&
       simulation::current_batch == settings::n_batches) {
     auto filename = settings::path_output + "surface_source.mcpl";
     write_mcpl_source_point(filename.c_str(), true);
   }
-#endif
 }
 
 void initialize_generation()
diff --git a/src/state_point.cpp b/src/state_point.cpp
index 9dd0f1374..470dd7718 100644
--- a/src/state_point.cpp
+++ b/src/state_point.cpp
@@ -28,10 +28,6 @@
 #include "openmc/timer.h"
 #include "openmc/vector.h"
 
-#ifdef OPENMC_MCPL
-#include <mcpl.h>
-#endif
-
 namespace openmc {
 
 extern "C" int openmc_statepoint_write(const char* filename, bool* write_source)
@@ -603,43 +599,6 @@ void write_source_point(const char* filename, bool surf_source_bank)
     file_close(file_id);
 }
 
-#ifdef OPENMC_MCPL
-void write_mcpl_source_point(const char* filename, bool surf_source_bank)
-{
-  std::string filename_;
-  if (filename) {
-    filename_ = filename;
-  } else {
-    // Determine width for zero padding
-    int w = std::to_string(settings::n_max_batches).size();
-
-    filename_ = fmt::format("{0}source.{1:0{2}}.mcpl", settings::path_output,
-      simulation::current_batch, w);
-  }
-
-  mcpl_outfile_t file_id;
-
-  std::string line;
-  if (mpi::master) {
-    file_id = mcpl_create_outfile(filename_.c_str());
-    if (VERSION_DEV) {
-      line = fmt::format("OpenMC {0}.{1}.{2}-development", VERSION_MAJOR,
-        VERSION_MINOR, VERSION_RELEASE);
-    } else {
-      line = fmt::format(
-        "OpenMC {0}.{1}.{2}", VERSION_MAJOR, VERSION_MINOR, VERSION_RELEASE);
-    }
-    mcpl_hdr_set_srcname(file_id, line.c_str());
-  }
-
-  write_mcpl_source_bank(file_id, surf_source_bank);
-
-  if (mpi::master) {
-    mcpl_close_outfile(file_id);
-  }
-}
-#endif
-
 void write_source_bank(hid_t group_id, bool surf_source_bank)
 {
   hid_t banktype = h5banktype();
@@ -756,105 +715,6 @@ void write_source_bank(hid_t group_id, bool surf_source_bank)
   H5Tclose(banktype);
 }
 
-#ifdef OPENMC_MCPL
-void write_mcpl_source_bank(mcpl_outfile_t file_id, bool surf_source_bank)
-{
-  int64_t dims_size = settings::n_particles;
-  int64_t count_size = simulation::work_per_rank;
-
-  // Set vectors for source bank and starting bank index of each process
-  vector<int64_t>* bank_index = &simulation::work_index;
-  vector<SourceSite>* source_bank = &simulation::source_bank;
-  vector<int64_t> surf_source_index_vector;
-  vector<SourceSite> surf_source_bank_vector;
-
-  if (surf_source_bank) {
-    surf_source_index_vector = calculate_surf_source_size();
-    dims_size = surf_source_index_vector[mpi::n_procs];
-    count_size = simulation::surf_source_bank.size();
-
-    bank_index = &surf_source_index_vector;
-
-    // Copy data in a SharedArray into a vector.
-    surf_source_bank_vector.resize(count_size);
-    surf_source_bank_vector.assign(simulation::surf_source_bank.data(),
-      simulation::surf_source_bank.data() + count_size);
-    source_bank = &surf_source_bank_vector;
-  }
-
-  if (mpi::master) {
-    // Particles are writeen to disk from the master node only
-
-    // Save source bank sites since the array is overwritten below
-#ifdef OPENMC_MPI
-    vector<SourceSite> temp_source {source_bank->begin(), source_bank->end()};
-#endif
-
-    // loop over the other nodes and receive data - then write those.
-    for (int i = 0; i < mpi::n_procs; ++i) {
-      // number of particles for node node i
-      size_t count[] {
-        static_cast<size_t>((*bank_index)[i + 1] - (*bank_index)[i])};
-
-#ifdef OPENMC_MPI
-      if (i > 0)
-        MPI_Recv(source_bank->data(), count[0], mpi::source_site, i, i,
-          mpi::intracomm, MPI_STATUS_IGNORE);
-#endif
-      // now write the source_bank data again.
-      for (vector<SourceSite>::iterator _site = source_bank->begin();
-           _site != source_bank->end(); _site++) {
-        // particle is now at the iterator
-        // write it to the mcpl-file
-        mcpl_particle_t p;
-        p.position[0] = _site->r.x;
-        p.position[1] = _site->r.y;
-        p.position[2] = _site->r.z;
-
-        // mcpl requires that the direction vector is unit length
-        // which is also the case in openmc
-        p.direction[0] = _site->u.x;
-        p.direction[1] = _site->u.y;
-        p.direction[2] = _site->u.z;
-
-        // mcpl stores kinetic energy in MeV
-        p.ekin = _site->E * 1e-6;
-
-        p.time = _site->time * 1e3;
-
-        p.weight = _site->wgt;
-
-        switch (_site->particle) {
-        case ParticleType::neutron:
-          p.pdgcode = 2112;
-          break;
-        case ParticleType::photon:
-          p.pdgcode = 22;
-          break;
-        case ParticleType::electron:
-          p.pdgcode = 11;
-          break;
-        case ParticleType::positron:
-          p.pdgcode = -11;
-          break;
-        }
-
-        mcpl_add_particle(file_id, &p);
-      }
-    }
-#ifdef OPENMC_MPI
-    // Restore state of source bank
-    std::copy(temp_source.begin(), temp_source.end(), source_bank->begin());
-#endif
-  } else {
-#ifdef OPENMC_MPI
-    MPI_Send(source_bank->data(), count_size, mpi::source_site, 0, mpi::rank,
-      mpi::intracomm);
-#endif
-  }
-}
-#endif
-
 // Determine member names of a compound HDF5 datatype
 std::string dtype_member_names(hid_t dtype_id)
 {

From 9ae44b3fd1e9c6e26c3f5089c9382a7fe97eb48e Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 22 Dec 2022 12:43:31 -0600
Subject: [PATCH 1415/2654] Rearragne MCPL source writing logic

---
 src/simulation.cpp | 42 +++++++++++++++++++-----------------------
 1 file changed, 19 insertions(+), 23 deletions(-)

diff --git a/src/simulation.cpp b/src/simulation.cpp
index 497b26124..2f07f8124 100644
--- a/src/simulation.cpp
+++ b/src/simulation.cpp
@@ -390,27 +390,23 @@ void finalize_batch()
 
   if (settings::run_mode == RunMode::EIGENVALUE) {
     // Write out a separate source point if it's been specified for this batch
-    if (!settings::source_mcpl_write) {
-      if (contains(settings::sourcepoint_batch, simulation::current_batch) &&
-          settings::source_write && settings::source_separate) {
+    if (contains(settings::sourcepoint_batch, simulation::current_batch) &&
+        settings::source_write && settings::source_separate) {
+      if (settings::source_mcpl_write) {
+        write_mcpl_source_point(nullptr);
+      } else {
         write_source_point(nullptr);
       }
+    }
 
-      // Write a continously-overwritten source point if requested.
-      if (settings::source_latest) {
-        auto filename = settings::path_output + "source.h5";
-        write_source_point(filename.c_str());
-      }
-    } else {
-      if (contains(settings::sourcepoint_batch, simulation::current_batch) &&
-          settings::source_mcpl_write && settings::source_separate) {
-        write_mcpl_source_point(nullptr);
-      }
-
-      // Write a continously-overwritten source point if requested.
-      if (settings::source_latest && settings::source_mcpl_write) {
+    // Write a continously-overwritten source point if requested.
+    if (settings::source_latest) {
+      if (settings::source_mcpl_write) {
         auto filename = settings::path_output + "source.mcpl";
         write_mcpl_source_point(filename.c_str());
+      } else {
+        auto filename = settings::path_output + "source.h5";
+        write_source_point(filename.c_str());
       }
     }
   }
@@ -418,13 +414,13 @@ void finalize_batch()
   // Write out surface source if requested.
   if (settings::surf_source_write &&
       simulation::current_batch == settings::n_batches) {
-    auto filename = settings::path_output + "surface_source.h5";
-    write_source_point(filename.c_str(), true);
-  }
-  if (settings::surf_mcpl_write &&
-      simulation::current_batch == settings::n_batches) {
-    auto filename = settings::path_output + "surface_source.mcpl";
-    write_mcpl_source_point(filename.c_str(), true);
+    if (settings::surf_mcpl_write) {
+      auto filename = settings::path_output + "surface_source.mcpl";
+      write_mcpl_source_point(filename.c_str(), true);
+    } else {
+      auto filename = settings::path_output + "surface_source.h5";
+      write_source_point(filename.c_str(), true);
+    }
   }
 }
 

From eeab41a19d8bbe1617f6abb63ff8bb2f89dd24f3 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 22 Dec 2022 14:03:26 -0600
Subject: [PATCH 1416/2654] Build against MCPL in CI by default

---
 tools/ci/gha-install.py | 12 ++++--------
 tools/ci/gha-install.sh |  6 ++----
 2 files changed, 6 insertions(+), 12 deletions(-)

diff --git a/tools/ci/gha-install.py b/tools/ci/gha-install.py
index ea317b5f0..83e5afac7 100644
--- a/tools/ci/gha-install.py
+++ b/tools/ci/gha-install.py
@@ -19,14 +19,14 @@ def which(program):
     return None
 
 
-def install(omp=False, mpi=False, phdf5=False, dagmc=False, libmesh=False, mcpl=False):
+def install(omp=False, mpi=False, phdf5=False, dagmc=False, libmesh=False):
     # Create build directory and change to it
     shutil.rmtree('build', ignore_errors=True)
     os.mkdir('build')
     os.chdir('build')
 
-    # Build in debug mode by default
-    cmake_cmd = ['cmake', '-DCMAKE_BUILD_TYPE=Debug']
+    # Build in debug mode by default with support for MCPL
+    cmake_cmd = ['cmake', '-DCMAKE_BUILD_TYPE=Debug', '-DOPENMC_USE_MCPL=on']
 
     # Turn off OpenMP if specified
     if not omp:
@@ -54,9 +54,6 @@ def install(omp=False, mpi=False, phdf5=False, dagmc=False, libmesh=False, mcpl=
         libmesh_path = os.environ.get('HOME') + '/LIBMESH'
         cmake_cmd.append('-DCMAKE_PREFIX_PATH=' + libmesh_path)
 
-    if mcpl:
-        cmake_cmd.append('-DOPENMC_USE_MCPL=ON')
-
     # Build in coverage mode for coverage testing
     cmake_cmd.append('-DOPENMC_ENABLE_COVERAGE=on')
 
@@ -74,10 +71,9 @@ def main():
     phdf5 = (os.environ.get('PHDF5') == 'y')
     dagmc = (os.environ.get('DAGMC') == 'y')
     libmesh = (os.environ.get('LIBMESH') == 'y')
-    mcpl = (os.environ.get('MCPL') == 'y')
 
     # Build and install
-    install(omp, mpi, phdf5, dagmc, libmesh, mcpl)
+    install(omp, mpi, phdf5, dagmc, libmesh)
 
 if __name__ == '__main__':
     main()
diff --git a/tools/ci/gha-install.sh b/tools/ci/gha-install.sh
index 68e825d48..75fa0ca70 100755
--- a/tools/ci/gha-install.sh
+++ b/tools/ci/gha-install.sh
@@ -27,10 +27,8 @@ if [[ $LIBMESH = 'y' ]]; then
     ./tools/ci/gha-install-libmesh.sh
 fi
 
-# Install mcpl if needed
-if [[ $MCPL = 'y' ]]; then
-    ./tools/ci/gha-install-mcpl.sh
-fi
+# Install MCPL
+./tools/ci/gha-install-mcpl.sh
 
 # For MPI configurations, make sure mpi4py and h5py are built against the
 # correct version of MPI

From 47848b79abe964be913095397d1d5aaf2780d28c Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 22 Dec 2022 14:34:37 -0600
Subject: [PATCH 1417/2654] Allow Settings.sourcepoint['mcpl'] to be set

---
 docs/source/io_formats/settings.rst | 14 +++++++++++---
 openmc/settings.py                  | 12 ++++++++++--
 tests/unit_tests/test_settings.py   |  4 ++--
 3 files changed, 23 insertions(+), 7 deletions(-)

diff --git a/docs/source/io_formats/settings.rst b/docs/source/io_formats/settings.rst
index 7174c5317..01b1852ca 100644
--- a/docs/source/io_formats/settings.rst
+++ b/docs/source/io_formats/settings.rst
@@ -732,6 +732,14 @@ attributes/sub-elements:
 
     *Default*: false
 
+  :mcpl:
+    If this element is set to "true", the source point file containing the
+    source bank will be written as an MCPL_ file name ``source.mcpl`` instead of
+    an HDF5 file. This option is only applicable if the ``<separate>`` element
+    is set to true.
+
+    *Default*: false
+
 ------------------------------
 ``<surf_source_read>`` Element
 ------------------------------
@@ -769,13 +777,13 @@ certain surfaces and write out the source bank in a separate file called
 
   :mcpl:
     An optional boolean which indicates if the banked particles should be
-    written to a file in the MCPL-format (documented in mcpl_). instead of the
-    native HDF5-based format. If activated the output file name is changed to
+    written to a file in the MCPL_-format instead of the native HDF5-based
+    format. If activated the output file name is changed to
     ``surface_source.mcpl``.
 
     *Default*: false
 
-    .. _mcpl: https://mctools.github.io/mcpl/mcpl.pdf
+    .. _MCPL: https://mctools.github.io/mcpl/mcpl.pdf
 
 ------------------------------
 ``<survival_biasing>`` Element
diff --git a/openmc/settings.py b/openmc/settings.py
index fd622870c..cc0ca2964 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -156,6 +156,7 @@ class Settings:
         :separate: bool indicating whether the source should be written as a
                    separate file
         :write: bool indicating whether or not to write the source
+        :mcpl: bool indicating whether to write the source as an MCPL file
     statepoint : dict
         Options for writing state points. Acceptable keys are:
 
@@ -620,6 +621,8 @@ class Settings:
                 cv.check_type('sourcepoint write', value, bool)
             elif key == 'overwrite':
                 cv.check_type('sourcepoint overwrite', value, bool)
+            elif key == 'mcpl':
+                cv.check_type('sourcepoint mcpl', value, bool)
             else:
                 raise ValueError(f"Unknown key '{key}' encountered when "
                                  "setting sourcepoint options.")
@@ -1019,6 +1022,11 @@ class Settings:
                 subelement = ET.SubElement(element, "overwrite_latest")
                 subelement.text = str(self._sourcepoint['overwrite']).lower()
 
+            if 'mcpl' in self._sourcepoint:
+                subelement = ET.SubElement(element, "mcpl")
+                subelement.text = str(self._sourcepoint['mcpl']).lower()
+
+
     def _create_surf_source_read_subelement(self, root):
         if self._surf_source_read:
             element = ET.SubElement(root, "surf_source_read")
@@ -1319,10 +1327,10 @@ class Settings:
     def _sourcepoint_from_xml_element(self, root):
         elem = root.find('source_point')
         if elem is not None:
-            for key in ('separate', 'write', 'overwrite_latest', 'batches'):
+            for key in ('separate', 'write', 'overwrite_latest', 'batches', 'mcpl'):
                 value = get_text(elem, key)
                 if value is not None:
-                    if key in ('separate', 'write'):
+                    if key in ('separate', 'write', 'mcpl'):
                         value = value in ('true', '1')
                     elif key == 'overwrite_latest':
                         value = value in ('true', '1')
diff --git a/tests/unit_tests/test_settings.py b/tests/unit_tests/test_settings.py
index 7678711a4..f1ae58192 100644
--- a/tests/unit_tests/test_settings.py
+++ b/tests/unit_tests/test_settings.py
@@ -17,7 +17,7 @@ def test_export_to_xml(run_in_tmpdir):
     s.output = {'summary': True, 'tallies': False, 'path': 'here'}
     s.verbosity = 7
     s.sourcepoint = {'batches': [50, 150, 500, 1000], 'separate': True,
-                     'write': True, 'overwrite': True}
+                     'write': True, 'overwrite': True, 'mcpl': True}
     s.statepoint = {'batches': [50, 150, 500, 1000]}
     s.surf_source_read = {'path': 'surface_source_1.h5'}
     s.surf_source_write = {'surface_ids': [2], 'max_particles': 200}
@@ -75,7 +75,7 @@ def test_export_to_xml(run_in_tmpdir):
     assert s.output == {'summary': True, 'tallies': False, 'path': 'here'}
     assert s.verbosity == 7
     assert s.sourcepoint == {'batches': [50, 150, 500, 1000], 'separate': True,
-                             'write': True, 'overwrite': True}
+                             'write': True, 'overwrite': True, 'mcpl': True}
     assert s.statepoint == {'batches': [50, 150, 500, 1000]}
     assert s.surf_source_read == {'path': 'surface_source_1.h5'}
     assert s.surf_source_write == {'surface_ids': [2], 'max_particles': 200}

From 731eff8817520773670d8a56c3ee4fbf7962cca9 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 22 Dec 2022 14:43:58 -0600
Subject: [PATCH 1418/2654] Update source_mcpl_file test result

---
 tests/regression_tests/source_mcpl_file/results_true.dat | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/tests/regression_tests/source_mcpl_file/results_true.dat b/tests/regression_tests/source_mcpl_file/results_true.dat
index e8f4a20a0..5651efde7 100644
--- a/tests/regression_tests/source_mcpl_file/results_true.dat
+++ b/tests/regression_tests/source_mcpl_file/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-3.004254E-01 8.027600E-04
+2.943088E-01 2.093028E-03

From ddbd61cc97ee2767d81f93b62542a3d367be1c85 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 22 Dec 2022 14:49:47 -0600
Subject: [PATCH 1419/2654] Formatting fixes

---
 CMakeLists.txt     | 1 +
 openmc/settings.py | 1 -
 2 files changed, 1 insertion(+), 1 deletion(-)

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 466816b30..c6c225783 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -162,6 +162,7 @@ endif()
 #===============================================================================
 # MCPL
 #===============================================================================
+
 if (OPENMC_USE_MCPL)
   find_package(MCPL REQUIRED)
   message(STATUS "Found MCPL: ${MCPL_DIR} (found version \"${MCPL_VERSION}\")")
diff --git a/openmc/settings.py b/openmc/settings.py
index cc0ca2964..e445655ca 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -1026,7 +1026,6 @@ class Settings:
                 subelement = ET.SubElement(element, "mcpl")
                 subelement.text = str(self._sourcepoint['mcpl']).lower()
 
-
     def _create_surf_source_read_subelement(self, root):
         if self._surf_source_read:
             element = ET.SubElement(root, "surf_source_read")

From 25f2bd50f9005cf8fa05ea055ebce0384d488106 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 22 Dec 2022 18:27:42 -0600
Subject: [PATCH 1420/2654] Several small fixes

---
 openmc/_xml.py        |  2 +-
 openmc/model/model.py | 12 ++++--------
 openmc/settings.py    |  5 +++--
 3 files changed, 8 insertions(+), 11 deletions(-)

diff --git a/openmc/_xml.py b/openmc/_xml.py
index 2a33d4b8d..6799a4e2d 100644
--- a/openmc/_xml.py
+++ b/openmc/_xml.py
@@ -27,7 +27,7 @@ def clean_indentation(element, level=0, spaces_per_level=2, trailing_indent=True
             element.tail = i
         for sub_element in element:
             # `trailing_indent` is intentionally not forwarded to the recursive
-            # call. Any child element of the topmost clement should add
+            # call. Any child element of the topmost element should add
             # indentation at the end to ensure its parent's indentation is
             # correct.
             clean_indentation(sub_element, level+1, spaces_per_level)
diff --git a/openmc/model/model.py b/openmc/model/model.py
index 7c6d9b828..2f4489084 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -244,6 +244,8 @@ class Model:
     def from_model_xml(cls, path='model.xml'):
         """Create model from single XML file
 
+        .. vesionadded:: 0.13.3
+
         Parameters
         ----------
         path : str or Pathlike
@@ -259,13 +261,6 @@ class Model:
         model.materials = openmc.Materials.from_xml_element(root.find('materials'))
         model.geometry = openmc.Geometry.from_xml_element(root.find('geometry'), model.materials)
 
-        # gather meshes from other classes before reading the tally node
-        if model.settings.entropy_mesh is not None:
-            meshes[model.settings.entropy_mesh.id] = model.settings.entropy_mesh
-
-        for ww in model.settings.weight_windows:
-            meshes[ww.mesh.id] = ww.mesh
-
         if root.find('tallies'):
             model.tallies = openmc.Tallies.from_xml_element(root.find('tallies'), meshes)
 
@@ -474,6 +469,8 @@ class Model:
     def export_to_model_xml(self, path='model.xml', remove_surfs=False):
         """Export model to a single XML file.
 
+        .. versionadded:: 0.13.3
+
         Parameters
         ----------
         path : str or Pathlike
@@ -483,7 +480,6 @@ class Model:
             Whether or not to remove redundant surfaces from the geometry when
             exporting.
 
-            .. versionadded:: 0.13.1
         """
         xml_path = Path(path)
         # if the provided path doesn't end with the XML extension, assume the
diff --git a/openmc/settings.py b/openmc/settings.py
index 65ca71957..4e6f144fe 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -1100,7 +1100,8 @@ class Settings:
         path = f"./mesh[@id='{self.entropy_mesh.id}']"
         if root.find(path) is None:
             root.append(self.entropy_mesh.to_xml_element())
-            if mesh_memo is not None: mesh_memo.add(self.entropy_mesh.id)
+            if mesh_memo is not None:
+                mesh_memo.add(self.entropy_mesh.id)
 
     def _create_trigger_subelement(self, root):
         if self._trigger_active is not None:
@@ -1609,7 +1610,7 @@ class Settings:
         self._create_temperature_subelements(element)
         self._create_trace_subelement(element)
         self._create_track_subelement(element)
-        self._create_ufs_mesh_subelement(element)
+        self._create_ufs_mesh_subelement(element, mesh_memo)
         self._create_resonance_scattering_subelement(element)
         self._create_volume_calcs_subelement(element)
         self._create_create_fission_neutrons_subelement(element)

From a0d8541a0164e19732ff3ce50b94ae9f83e0da13 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 22 Dec 2022 22:27:03 -0600
Subject: [PATCH 1421/2654] Make sure OpenMCConfig.cmake.in includes MCPL

---
 cmake/OpenMCConfig.cmake.in | 4 ++++
 1 file changed, 4 insertions(+)

diff --git a/cmake/OpenMCConfig.cmake.in b/cmake/OpenMCConfig.cmake.in
index d0e2beb82..1e3508305 100644
--- a/cmake/OpenMCConfig.cmake.in
+++ b/cmake/OpenMCConfig.cmake.in
@@ -25,3 +25,7 @@ endif()
 if(@OPENMC_USE_MPI@)
   find_package(MPI REQUIRED)
 endif()
+
+if(@OPENMC_USE_MCPL@)
+  find_package(MCPL REQUIRED)
+endif()

From ecfa94e0ff0c50a83c8db61444e5cad888b16c7a Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 8 Sep 2022 14:25:22 -0500
Subject: [PATCH 1422/2654] Rename gnd_name to gnds_name. Change GND to GNDS in
 comments

---
 docs/source/pythonapi/data.rst     |  2 +-
 docs/source/usersguide/scripts.rst |  4 ++--
 openmc/data/ace.py                 |  4 ++--
 openmc/data/data.py                | 19 +++++++++++--------
 openmc/data/decay.py               |  2 +-
 openmc/data/endf.py                | 12 ++++++------
 openmc/data/multipole.py           |  4 ++--
 openmc/data/neutron.py             |  4 ++--
 openmc/data/reaction.py            |  2 +-
 openmc/data/thermal.py             | 10 +++++-----
 openmc/deplete/chain.py            | 16 ++++++++--------
 openmc/deplete/nuclide.py          |  2 +-
 openmc/nuclide.py                  |  2 +-
 scripts/openmc-update-inputs       |  5 ++---
 tests/unit_tests/test_data_misc.py | 12 ++++++------
 15 files changed, 51 insertions(+), 49 deletions(-)

diff --git a/docs/source/pythonapi/data.rst b/docs/source/pythonapi/data.rst
index 960abec2f..1eaf90c97 100644
--- a/docs/source/pythonapi/data.rst
+++ b/docs/source/pythonapi/data.rst
@@ -66,7 +66,7 @@ Core Functions
     decay_energy
     decay_photon_energy
     dose_coefficients
-    gnd_name
+    gnds_name
     half_life
     isotopes
     kalbach_slope
diff --git a/docs/source/usersguide/scripts.rst b/docs/source/usersguide/scripts.rst
index c433ffe2c..78ee6f775 100644
--- a/docs/source/usersguide/scripts.rst
+++ b/docs/source/usersguide/scripts.rst
@@ -157,9 +157,9 @@ geometry.xml
   added. Any 'surfaces' attributes/elements on a cell will be renamed 'region'.
 
 materials.xml
-  Nuclide names will be changed from ACE aliases (e.g., Am-242m) to HDF5/GND
+  Nuclide names will be changed from ACE aliases (e.g., Am-242m) to HDF5/GNDS
   names (e.g., Am242_m1). Thermal scattering table names will be changed from
-  ACE aliases (e.g., HH2O) to HDF5/GND names (e.g., c_H_in_H2O).
+  ACE aliases (e.g., HH2O) to HDF5/GNDS names (e.g., c_H_in_H2O).
 
 ----------------------
 ``openmc-update-mgxs``
diff --git a/openmc/data/ace.py b/openmc/data/ace.py
index 06c581b42..91cbe4196 100644
--- a/openmc/data/ace.py
+++ b/openmc/data/ace.py
@@ -24,7 +24,7 @@ import numpy as np
 
 import openmc.checkvalue as cv
 from openmc.mixin import EqualityMixin
-from .data import ATOMIC_SYMBOL, gnd_name, EV_PER_MEV, K_BOLTZMANN
+from .data import ATOMIC_SYMBOL, gnds_name, EV_PER_MEV, K_BOLTZMANN
 from .endf import ENDF_FLOAT_RE
 
 
@@ -88,7 +88,7 @@ def get_metadata(zaid, metastable_scheme='nndc'):
 
     # Determine name
     element = ATOMIC_SYMBOL[Z]
-    name = gnd_name(Z, mass_number, metastable)
+    name = gnds_name(Z, mass_number, metastable)
 
     return (name, element, Z, mass_number, metastable)
 
diff --git a/openmc/data/data.py b/openmc/data/data.py
index 55bfb4f09..d5521d998 100644
--- a/openmc/data/data.py
+++ b/openmc/data/data.py
@@ -197,8 +197,8 @@ NEUTRON_MASS = 1.00866491595
 # Used in atomic_mass function as a cache
 _ATOMIC_MASS = {}
 
-# Regex for GND nuclide names (used in zam function)
-_GND_NAME_RE = re.compile(r'([A-Zn][a-z]*)(\d+)((?:_[em]\d+)?)')
+# Regex for GNDS nuclide names (used in zam function)
+_GNDS_NAME_RE = re.compile(r'([A-Zn][a-z]*)(\d+)((?:_[em]\d+)?)')
 
 # Used in half_life function as a cache
 _HALF_LIFE = {}
@@ -436,8 +436,11 @@ def water_density(temperature, pressure=0.1013):
     return coeff / pi / gamma1_pi
 
 
-def gnd_name(Z, A, m=0):
-    """Return nuclide name using GND convention
+def gnds_name(Z, A, m=0):
+    """Return nuclide name using GNDS convention
+
+    .. versionchanged:: 0.14.0
+        Function name changed from ``gnd_name`` to ``gnds_name``
 
     Parameters
     ----------
@@ -451,7 +454,7 @@ def gnd_name(Z, A, m=0):
     Returns
     -------
     str
-        Nuclide name in GND convention, e.g., 'Am242_m1'
+        Nuclide name in GNDS convention, e.g., 'Am242_m1'
 
     """
     if m > 0:
@@ -502,7 +505,7 @@ def zam(name):
     Parameters
     ----------
     name : str
-        Name of nuclide using GND convention, e.g., 'Am242_m1'
+        Name of nuclide using GNDS convention, e.g., 'Am242_m1'
 
     Returns
     -------
@@ -511,10 +514,10 @@ def zam(name):
 
     """
     try:
-        symbol, A, state = _GND_NAME_RE.match(name).groups()
+        symbol, A, state = _GNDS_NAME_RE.match(name).groups()
     except AttributeError:
         raise ValueError(f"'{name}' does not appear to be a nuclide name in "
-                         "GND format")
+                         "GNDS format")
 
     if symbol not in ATOMIC_NUMBER:
         raise ValueError(f"'{symbol}' is not a recognized element symbol")
diff --git a/openmc/data/decay.py b/openmc/data/decay.py
index 0db842201..d00242438 100644
--- a/openmc/data/decay.py
+++ b/openmc/data/decay.py
@@ -144,7 +144,7 @@ class FissionProductYields(EqualityMixin):
 
         # Assign basic nuclide properties
         self.nuclide = {
-            'name': ev.gnd_name,
+            'name': ev.gnds_name,
             'atomic_number': ev.target['atomic_number'],
             'mass_number': ev.target['mass_number'],
             'isomeric_state': ev.target['isomeric_state']
diff --git a/openmc/data/endf.py b/openmc/data/endf.py
index f9b9d0694..d526bc53f 100644
--- a/openmc/data/endf.py
+++ b/openmc/data/endf.py
@@ -12,7 +12,7 @@ import re
 
 import numpy as np
 
-from .data import gnd_name
+from .data import gnds_name
 from .function import Tabulated1D
 try:
     from ._endf import float_endf
@@ -520,10 +520,10 @@ class Evaluation:
             self.reaction_list.append((mf, mt, nc, mod))
 
     @property
-    def gnd_name(self):
-        return gnd_name(self.target['atomic_number'],
-                        self.target['mass_number'],
-                        self.target['isomeric_state'])
+    def gnds_name(self):
+        return gnds_name(self.target['atomic_number'],
+                         self.target['mass_number'],
+                         self.target['isomeric_state'])
 
 
 class Tabulated2D:
@@ -531,7 +531,7 @@ class Tabulated2D:
 
     This is a dummy class that is not really used other than to store the
     interpolation information for a two-dimensional function. Once we refactor
-    to adopt GND-like data containers, this will probably be removed or
+    to adopt GNDS-like data containers, this will probably be removed or
     extended.
 
     Parameters
diff --git a/openmc/data/multipole.py b/openmc/data/multipole.py
index 508c76ac4..0be70cdba 100644
--- a/openmc/data/multipole.py
+++ b/openmc/data/multipole.py
@@ -748,12 +748,12 @@ class WindowedMultipole(EqualityMixin):
     Parameters
     ----------
     name : str
-        Name of the nuclide using the GND naming convention
+        Name of the nuclide using the GNDS naming convention
 
     Attributes
     ----------
     name : str
-        Name of the nuclide using the GND naming convention
+        Name of the nuclide using the GNDS naming convention
     spacing : float
         The width of each window in sqrt(E)-space.  For example, the frst window
         will end at (sqrt(E_min) + spacing)**2 and the second window at
diff --git a/openmc/data/neutron.py b/openmc/data/neutron.py
index e0574d76d..2d4c13963 100644
--- a/openmc/data/neutron.py
+++ b/openmc/data/neutron.py
@@ -44,7 +44,7 @@ class IncidentNeutron(EqualityMixin):
     Parameters
     ----------
     name : str
-        Name of the nuclide using the GND naming convention
+        Name of the nuclide using the GNDS naming convention
     atomic_number : int
         Number of protons in the target nucleus
     mass_number : int
@@ -75,7 +75,7 @@ class IncidentNeutron(EqualityMixin):
         Metastable state of the target nucleus. A value of zero indicates ground
         state.
     name : str
-        Name of the nuclide using the GND naming convention
+        Name of the nuclide using the GNDS naming convention
     reactions : collections.OrderedDict
         Contains the cross sections, secondary angle and energy distributions,
         and other associated data for each reaction. The keys are the MT values
diff --git a/openmc/data/reaction.py b/openmc/data/reaction.py
index a2431cf1c..ac9d7f14e 100644
--- a/openmc/data/reaction.py
+++ b/openmc/data/reaction.py
@@ -555,7 +555,7 @@ def _get_activation_products(ev, rx):
             Z, A = divmod(items[2], 1000)
             excited_state = items[3]
 
-            # Get GND name for product
+            # Get GNDS name for product
             symbol = ATOMIC_SYMBOL[Z]
             if excited_state > 0:
                 name = '{}{}_e{}'.format(symbol, A, excited_state)
diff --git a/openmc/data/thermal.py b/openmc/data/thermal.py
index e6213e5f0..48f6bfc9b 100644
--- a/openmc/data/thermal.py
+++ b/openmc/data/thermal.py
@@ -104,7 +104,7 @@ def get_thermal_name(name):
     Returns
     -------
     str
-        GND-format thermal scattering name
+        GNDS-format thermal scattering name
 
     """
     if name in _THERMAL_NAMES:
@@ -396,7 +396,7 @@ class ThermalScattering(EqualityMixin):
     Parameters
     ----------
     name : str
-        Name of the material using GND convention, e.g. c_H_in_H2O
+        Name of the material using GNDS convention, e.g. c_H_in_H2O
     atomic_weight_ratio : float
         Atomic mass ratio of the target nuclide.
     kTs : Iterable of float
@@ -415,7 +415,7 @@ class ThermalScattering(EqualityMixin):
         Inelastic scattering cross section derived in the incoherent
         approximation
     name : str
-        Name of the material using GND convention, e.g. c_H_in_H2O
+        Name of the material using GNDS convention, e.g. c_H_in_H2O
     temperatures : Iterable of str
         List of string representations the temperatures of the target nuclide
         in the data set.  The temperatures are strings of the temperature,
@@ -491,7 +491,7 @@ class ThermalScattering(EqualityMixin):
             ACE table to read from. If given as a string, it is assumed to be
             the filename for the ACE file.
         name : str
-            GND-conforming name of the material, e.g. c_H_in_H2O. If none is
+            GNDS-conforming name of the material, e.g. c_H_in_H2O. If none is
             passed, the appropriate name is guessed based on the name of the ACE
             table.
 
@@ -596,7 +596,7 @@ class ThermalScattering(EqualityMixin):
             ACE table to read from. If given as a string, it is assumed to be
             the filename for the ACE file.
         name : str
-            GND-conforming name of the material, e.g. c_H_in_H2O. If none is
+            GNDS-conforming name of the material, e.g. c_H_in_H2O. If none is
             passed, the appropriate name is guessed based on the name of the ACE
             table.
 
diff --git a/openmc/deplete/chain.py b/openmc/deplete/chain.py
index f439cedc3..372ed3510 100644
--- a/openmc/deplete/chain.py
+++ b/openmc/deplete/chain.py
@@ -15,7 +15,7 @@ from numbers import Real, Integral
 from warnings import warn
 
 from openmc.checkvalue import check_type, check_greater_than
-from openmc.data import gnd_name, zam, DataLibrary
+from openmc.data import gnds_name, zam, DataLibrary
 from openmc.exceptions import DataError
 from .nuclide import FissionYieldDistribution
 
@@ -135,14 +135,14 @@ def replace_missing(product, decay_data):
     Parameters
     ----------
     product : str
-        Name of product in GND format, e.g. 'Y86_m1'.
+        Name of product in GNDS format, e.g. 'Y86_m1'.
     decay_data : dict
         Dictionary of decay data
 
     Returns
     -------
     product : str
-        Replacement for missing product in GND format.
+        Replacement for missing product in GNDS format.
 
     """
     # Determine atomic number, mass number, and metastable state
@@ -213,7 +213,7 @@ def replace_missing_fpy(actinide, fpy_data, decay_data):
     # Check if metastable state has data (e.g., Am242m)
     Z, A, m = zam(actinide)
     if m == 0:
-        metastable = gnd_name(Z, A, 1)
+        metastable = gnds_name(Z, A, 1)
         if metastable in fpy_data:
             return metastable
 
@@ -222,7 +222,7 @@ def replace_missing_fpy(actinide, fpy_data, decay_data):
     while isotone in decay_data:
         Z += 1
         A += 1
-        isotone = gnd_name(Z, A, 0)
+        isotone = gnds_name(Z, A, 0)
         if isotone in fpy_data:
             return isotone
 
@@ -231,7 +231,7 @@ def replace_missing_fpy(actinide, fpy_data, decay_data):
     while isotone in decay_data:
         Z -= 1
         A -= 1
-        isotone = gnd_name(Z, A, 0)
+        isotone = gnds_name(Z, A, 0)
         if isotone in fpy_data:
             return isotone
 
@@ -357,7 +357,7 @@ class Chain:
         reactions = {}
         for f in neutron_files:
             evaluation = openmc.data.endf.Evaluation(f)
-            name = evaluation.gnd_name
+            name = evaluation.gnds_name
             reactions[name] = {}
             for mf, mt, nc, mod in evaluation.reaction_list:
                 if mf == 3:
@@ -904,7 +904,7 @@ class Chain:
                 ground_target = grounds.get(parent_name)
                 if ground_target is None:
                     pz, pa, pm = zam(parent_name)
-                    ground_target = gnd_name(pz, pa + 1, 0)
+                    ground_target = gnds_name(pz, pa + 1, 0)
                 new_ratios[ground_target] = ground_br
                 parent.add_reaction(reaction, ground_target, rxn_Q, ground_br)
 
diff --git a/openmc/deplete/nuclide.py b/openmc/deplete/nuclide.py
index b84b91a7f..2e9673d5f 100644
--- a/openmc/deplete/nuclide.py
+++ b/openmc/deplete/nuclide.py
@@ -82,7 +82,7 @@ class Nuclide:
     Parameters
     ----------
     name : str, optional
-        GND name of this nuclide, e.g. ``"He4"``, ``"Am242_m1"``
+        GNDS name of this nuclide, e.g. ``"He4"``, ``"Am242_m1"``
 
     Attributes
     ----------
diff --git a/openmc/nuclide.py b/openmc/nuclide.py
index 196c8d770..d5ae4bddb 100644
--- a/openmc/nuclide.py
+++ b/openmc/nuclide.py
@@ -26,7 +26,7 @@ class Nuclide(str):
             if name.endswith('m'):
                 name = name[:-1] + '_m1'
 
-            msg = ('OpenMC nuclides follow the GND naming convention. '
+            msg = ('OpenMC nuclides follow the GNDS naming convention. '
                    f'Nuclide "{orig_name}" is being renamed as "{name}".')
             warnings.warn(msg)
 
diff --git a/scripts/openmc-update-inputs b/scripts/openmc-update-inputs
index c47f888c8..2d49c0626 100755
--- a/scripts/openmc-update-inputs
+++ b/scripts/openmc-update-inputs
@@ -4,7 +4,6 @@
 """
 
 import argparse
-from difflib import get_close_matches
 from itertools import chain
 from random import randint
 from shutil import move
@@ -27,8 +26,8 @@ geometry.xml: Lattices containing 'outside' attributes/tags will be replaced
   will be renamed 'region'.
 
 materials.xml: Nuclide names will be changed from ACE aliases (e.g., Am-242m) to
-  HDF5/GND names (e.g., Am242_m1). Thermal scattering table names will be
-  changed from ACE aliases (e.g., HH2O) to HDF5/GND names (e.g., c_H_in_H2O).
+  HDF5/GNDS names (e.g., Am242_m1). Thermal scattering table names will be
+  changed from ACE aliases (e.g., HH2O) to HDF5/GNDS names (e.g., c_H_in_H2O).
 
 """
 
diff --git a/tests/unit_tests/test_data_misc.py b/tests/unit_tests/test_data_misc.py
index 37e024fe2..f88be2602 100644
--- a/tests/unit_tests/test_data_misc.py
+++ b/tests/unit_tests/test_data_misc.py
@@ -101,12 +101,12 @@ def test_water_density():
     assert dens(500.0, 3.0) == pytest.approx(1e-3/0.120241800e-2, 1e-6)
 
 
-def test_gnd_name():
-    assert openmc.data.gnd_name(1, 1) == 'H1'
-    assert openmc.data.gnd_name(40, 90) == ('Zr90')
-    assert openmc.data.gnd_name(95, 242, 0) == ('Am242')
-    assert openmc.data.gnd_name(95, 242, 1) == ('Am242_m1')
-    assert openmc.data.gnd_name(95, 242, 10) == ('Am242_m10')
+def test_gnds_name():
+    assert openmc.data.gnds_name(1, 1) == 'H1'
+    assert openmc.data.gnds_name(40, 90) == ('Zr90')
+    assert openmc.data.gnds_name(95, 242, 0) == ('Am242')
+    assert openmc.data.gnds_name(95, 242, 1) == ('Am242_m1')
+    assert openmc.data.gnds_name(95, 242, 10) == ('Am242_m10')
 
 
 def test_isotopes():

From a5bdbd3adbc18ec429647c4b0ae9cee7098d7025 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 23 Dec 2022 00:04:45 -0600
Subject: [PATCH 1423/2654] Address a few warnings from tests

---
 openmc/mgxs/mgxs.py                          | 4 ++--
 tests/regression_tests/diff_tally/test.py    | 5 ++---
 tests/regression_tests/surface_tally/test.py | 5 ++---
 tests/unit_tests/test_mesh_to_vtk.py         | 4 ++--
 4 files changed, 8 insertions(+), 10 deletions(-)

diff --git a/openmc/mgxs/mgxs.py b/openmc/mgxs/mgxs.py
index 15a1128f8..c93b42b88 100644
--- a/openmc/mgxs/mgxs.py
+++ b/openmc/mgxs/mgxs.py
@@ -925,7 +925,7 @@ class MGXS:
         # Tabulate the atomic number densities for all nuclides
         elif nuclides == 'all':
             nuclides = self.get_nuclides()
-            densities = np.zeros(self.num_nuclides, dtype=np.float)
+            densities = np.zeros(self.num_nuclides, dtype=float)
             for i, nuclide in enumerate(nuclides):
                 densities[i] += self.get_nuclide_density(nuclide)
 
@@ -3019,7 +3019,7 @@ class DiffusionCoefficient(TransportXS):
                 new_filt = openmc.EnergyFilter(old_filt.values)
                 p1_tally.filters[-2] = new_filt
 
-                p1_tally = p1_tally.get_slice(filters=[openmc.LegendreFilter], 
+                p1_tally = p1_tally.get_slice(filters=[openmc.LegendreFilter],
                     filter_bins=[('P1',)],squeeze=True)
                 p1_tally._scores = ['scatter-1']
                 total_xs = self.tallies['total'] / self.tallies['flux (tracklength)']
diff --git a/tests/regression_tests/diff_tally/test.py b/tests/regression_tests/diff_tally/test.py
index b688e6d23..18c501372 100644
--- a/tests/regression_tests/diff_tally/test.py
+++ b/tests/regression_tests/diff_tally/test.py
@@ -103,9 +103,8 @@ class DiffTallyTestHarness(PyAPITestHarness):
         sp = openmc.StatePoint(statepoint)
 
         # Extract the tally data as a Pandas DataFrame.
-        df = pd.DataFrame()
-        for t in sp.tallies.values():
-            df = df.append(t.get_pandas_dataframe(), ignore_index=True)
+        tally_dfs = [t.get_pandas_dataframe() for t in sp.tallies.values()]
+        df = pd.concat(tally_dfs, ignore_index=True)
 
         # Extract the relevant data as a CSV string.
         cols = ('d_material', 'd_nuclide', 'd_variable', 'score', 'mean',
diff --git a/tests/regression_tests/surface_tally/test.py b/tests/regression_tests/surface_tally/test.py
index 96199ec2a..d21f361e6 100644
--- a/tests/regression_tests/surface_tally/test.py
+++ b/tests/regression_tests/surface_tally/test.py
@@ -164,9 +164,8 @@ class SurfaceTallyTestHarness(PyAPITestHarness):
         sp = openmc.StatePoint(self._sp_name)
 
         # Extract the tally data as a Pandas DataFrame.
-        df = pd.DataFrame()
-        for t in sp.tallies.values():
-            df = df.append(t.get_pandas_dataframe(), ignore_index=True)
+        tally_dfs = [t.get_pandas_dataframe() for t in sp.tallies.values()]
+        df = pd.concat(tally_dfs, ignore_index=True)
 
         # Extract the relevant data as a CSV string.
         cols = ('mean', 'std. dev.')
diff --git a/tests/unit_tests/test_mesh_to_vtk.py b/tests/unit_tests/test_mesh_to_vtk.py
index d7d5907a2..f90eab134 100644
--- a/tests/unit_tests/test_mesh_to_vtk.py
+++ b/tests/unit_tests/test_mesh_to_vtk.py
@@ -77,8 +77,8 @@ def test_write_data_to_vtk_size_mismatch(mesh):
     # by regex. These are needed to make the test string match the error message
     # string when using the match argument as that uses regular expression
     expected_error_msg = (
-        f"The size of the dataset 'label' \({len(data)}\) should be equal to "
-        f"the number of mesh cells \({mesh.num_mesh_cells}\)"
+        f"The size of the dataset 'label' ({len(data)}) should be equal to "
+        f"the number of mesh cells ({mesh.num_mesh_cells})"
     )
     with pytest.raises(ValueError, match=expected_error_msg):
         mesh.write_data_to_vtk(filename="out.vtk", datasets={"label": data})

From f9c6765eca0026291bf760cb8f33866fe367034b Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Mon, 12 Dec 2022 21:39:39 -0600
Subject: [PATCH 1424/2654] Update intersphinx URLs

---
 docs/source/conf.py | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/docs/source/conf.py b/docs/source/conf.py
index f08333279..ae329dd7e 100644
--- a/docs/source/conf.py
+++ b/docs/source/conf.py
@@ -247,7 +247,7 @@ napoleon_use_ivar = True
 intersphinx_mapping = {
     'python': ('https://docs.python.org/3', None),
     'numpy': ('https://numpy.org/doc/stable/', None),
-    'scipy': ('https://docs.scipy.org/doc/scipy/reference', None),
+    'scipy': ('https://docs.scipy.org/doc/scipy/', None),
     'pandas': ('https://pandas.pydata.org/pandas-docs/stable/', None),
-    'matplotlib': ('https://matplotlib.org/', None)
+    'matplotlib': ('https://matplotlib.org/stable/', None)
 }

From a178f5f85a95d3eb519da91b9e462ae5d906be0c Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 23 Dec 2022 10:55:58 -0600
Subject: [PATCH 1425/2654] Use raw f-string in test_mesh_to_vtk.py

---
 tests/unit_tests/test_mesh_to_vtk.py | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/tests/unit_tests/test_mesh_to_vtk.py b/tests/unit_tests/test_mesh_to_vtk.py
index f90eab134..bc3633c8c 100644
--- a/tests/unit_tests/test_mesh_to_vtk.py
+++ b/tests/unit_tests/test_mesh_to_vtk.py
@@ -77,8 +77,8 @@ def test_write_data_to_vtk_size_mismatch(mesh):
     # by regex. These are needed to make the test string match the error message
     # string when using the match argument as that uses regular expression
     expected_error_msg = (
-        f"The size of the dataset 'label' ({len(data)}) should be equal to "
-        f"the number of mesh cells ({mesh.num_mesh_cells})"
+        fr"The size of the dataset 'label' \({len(data)}\) should be equal to "
+        fr"the number of mesh cells \({mesh.num_mesh_cells}\)"
     )
     with pytest.raises(ValueError, match=expected_error_msg):
         mesh.write_data_to_vtk(filename="out.vtk", datasets={"label": data})

From 954a2bdcdaf47cfbf778f0e07e0c4ab3fba17175 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 23 Dec 2022 11:12:22 -0600
Subject: [PATCH 1426/2654] Fix source definition in source_mcpl_file test

---
 include/openmc/mcpl_interface.h               |  2 +-
 src/mcpl_interface.cpp                        | 31 +++++++++----------
 .../source_mcpl_file/results_true.dat         |  2 +-
 .../source_mcpl_file/settings.xml             |  1 -
 .../regression_tests/source_mcpl_file/test.py |  3 +-
 5 files changed, 17 insertions(+), 22 deletions(-)

diff --git a/include/openmc/mcpl_interface.h b/include/openmc/mcpl_interface.h
index c931f1774..64f15c13a 100644
--- a/include/openmc/mcpl_interface.h
+++ b/include/openmc/mcpl_interface.h
@@ -2,9 +2,9 @@
 #define OPENMC_MCPL_INTERFACE_H
 
 #include "openmc/particle_data.h"
+#include "openmc/vector.h"
 
 #include <string>
-#include <vector>
 
 namespace openmc {
 
diff --git a/src/mcpl_interface.cpp b/src/mcpl_interface.cpp
index e9bc64830..a38891478 100644
--- a/src/mcpl_interface.cpp
+++ b/src/mcpl_interface.cpp
@@ -6,6 +6,7 @@
 #include "openmc/settings.h"
 #include "openmc/simulation.h"
 #include "openmc/state_point.h"
+#include "openmc/vector.h"
 
 #include <fmt/core.h>
 
@@ -57,9 +58,8 @@ SourceSite mcpl_particle_to_site(const mcpl_particle_t* particle)
   site.u.y = particle->direction[1];
   site.u.z = particle->direction[2];
 
-  // mcpl stores kinetic energy in MeV
+  // MCPL stores kinetic energy in [MeV], time in [ms]
   site.E = particle->ekin * 1e6;
-  // mcpl stores time in ms
   site.time = particle->time * 1e-3;
   site.wgt = particle->weight;
 
@@ -155,29 +155,26 @@ void write_mcpl_source_bank(mcpl_outfile_t file_id, bool surf_source_bank)
           mpi::intracomm, MPI_STATUS_IGNORE);
 #endif
       // now write the source_bank data again.
-      for (vector<SourceSite>::iterator _site = source_bank->begin();
-           _site != source_bank->end(); _site++) {
+      for (const auto& site : *source_bank) {
         // particle is now at the iterator
         // write it to the mcpl-file
         mcpl_particle_t p;
-        p.position[0] = _site->r.x;
-        p.position[1] = _site->r.y;
-        p.position[2] = _site->r.z;
+        p.position[0] = site.r.x;
+        p.position[1] = site.r.y;
+        p.position[2] = site.r.z;
 
         // mcpl requires that the direction vector is unit length
         // which is also the case in openmc
-        p.direction[0] = _site->u.x;
-        p.direction[1] = _site->u.y;
-        p.direction[2] = _site->u.z;
+        p.direction[0] = site.u.x;
+        p.direction[1] = site.u.y;
+        p.direction[2] = site.u.z;
 
-        // mcpl stores kinetic energy in MeV
-        p.ekin = _site->E * 1e-6;
+        // MCPL stores kinetic energy in [MeV], time in [ms]
+        p.ekin = site.E * 1e-6;
+        p.time = site.time * 1e3;
+        p.weight = site.wgt;
 
-        p.time = _site->time * 1e3;
-
-        p.weight = _site->wgt;
-
-        switch (_site->particle) {
+        switch (site.particle) {
         case ParticleType::neutron:
           p.pdgcode = 2112;
           break;
diff --git a/tests/regression_tests/source_mcpl_file/results_true.dat b/tests/regression_tests/source_mcpl_file/results_true.dat
index 5651efde7..0a98e9d8c 100644
--- a/tests/regression_tests/source_mcpl_file/results_true.dat
+++ b/tests/regression_tests/source_mcpl_file/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-2.943088E-01 2.093028E-03
+3.009416E-01 3.229999E-03
diff --git a/tests/regression_tests/source_mcpl_file/settings.xml b/tests/regression_tests/source_mcpl_file/settings.xml
index 2e511461f..47b010bff 100644
--- a/tests/regression_tests/source_mcpl_file/settings.xml
+++ b/tests/regression_tests/source_mcpl_file/settings.xml
@@ -1,6 +1,5 @@
 <?xml version="1.0"?>
 <settings>
-  <seed>1234</seed>
   <state_point batches="10" />
   <source_point mcpl="true" separate="true" />
   <eigenvalue>
diff --git a/tests/regression_tests/source_mcpl_file/test.py b/tests/regression_tests/source_mcpl_file/test.py
index 60e0ad50f..84ec005ae 100644
--- a/tests/regression_tests/source_mcpl_file/test.py
+++ b/tests/regression_tests/source_mcpl_file/test.py
@@ -11,7 +11,6 @@ pytestmark = pytest.mark.skipif(
 
 settings1="""<?xml version="1.0"?>
 <settings>
-  <seed>1234</seed>
   <state_point batches="10" />
   <source_point mcpl="true" separate="true" />
   <eigenvalue>
@@ -35,7 +34,7 @@ settings2 = """<?xml version="1.0"?>
     <particles>1000</particles>
   </eigenvalue>
   <source>
-    <filename> source.10.{0} </filename>
+    <file>source.10.{}</file>
   </source>
 </settings>
 """

From 6b0baf8b1d3a823605fb9d8ed9b3a51b409ca61e Mon Sep 17 00:00:00 2001
From: myerspat <myerspat@umich.edu>
Date: Fri, 23 Dec 2022 12:54:24 -0500
Subject: [PATCH 1427/2654] added catch2 testing to ci workflow

---
 .github/workflows/ci.yml | 4 +++-
 1 file changed, 3 insertions(+), 1 deletion(-)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index e267c0d8e..e9ac04d59 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -118,7 +118,9 @@ jobs:
 
       - name: test
         shell: bash
-        run: $GITHUB_WORKSPACE/tools/ci/gha-script.sh
+        run: |
+          $GITHUB_WORKSPACE/tools/ci/gha-script.sh
+          ctest --output-on-failure
 
       - name: after_success
         shell: bash

From 761bfc53498de1b1d3f26ae83d26a4105d455b09 Mon Sep 17 00:00:00 2001
From: myerspat <myerspat@umich.edu>
Date: Fri, 23 Dec 2022 12:54:59 -0500
Subject: [PATCH 1428/2654] added documentation on unit testing with catch2

---
 docs/source/devguide/tests.rst      | 27 ++++++++++++++++++++++++++-
 tests/cpp_unit_tests/CMakeLists.txt |  1 +
 2 files changed, 27 insertions(+), 1 deletion(-)

diff --git a/docs/source/devguide/tests.rst b/docs/source/devguide/tests.rst
index 922f47eb3..d076511b1 100644
--- a/docs/source/devguide/tests.rst
+++ b/docs/source/devguide/tests.rst
@@ -45,7 +45,7 @@ Prerequisites
 Running Tests
 -------------
 
-To execute the test suite, go to the ``tests/`` directory and run::
+To execute the Python test suite, go to the ``tests/`` directory and run::
 
     pytest
 
@@ -55,6 +55,14 @@ installed and run::
 
     pytest --cov=../openmc --cov-report=html
 
+To execute the C++ test suite, go to your build directory and run::
+
+    ctest
+
+If you want to view testing output on failure run::
+
+    ctest --output-on-failure
+
 Generating XML Inputs
 ---------------------
 
@@ -66,6 +74,23 @@ run::
 
     pytest --build-inputs <name-of-test>
 
+Adding C++ Unit Tests
+---------------------
+
+The C++ test suite uses Catch2 integrated with CTest. Each header file should
+have a corresponding test file in ``tests/cpp_unit_tests/``. If the test file
+does not exist run::
+
+    touch test_<name-of-header-file>.cpp
+
+The file must be added to the CMake build system in 
+``tests/cpp_unit_tests/CMakeLists.txt``. ``test_<name-of-header-file>`` should 
+be added to ``TEST_NAMES``. 
+
+To add a test case to ``test_<name-of-header-file>.cpp`` ensure 
+``catch2/catch_test_macros.hpp`` is included. A unit test can then be added 
+using the ``TEST_CASE`` macro and the ``REQUIRE`` assertion from Catch2. 
+
 Adding Tests to the Regression Suite
 ------------------------------------
 
diff --git a/tests/cpp_unit_tests/CMakeLists.txt b/tests/cpp_unit_tests/CMakeLists.txt
index c26547f77..3d48545b4 100644
--- a/tests/cpp_unit_tests/CMakeLists.txt
+++ b/tests/cpp_unit_tests/CMakeLists.txt
@@ -1,5 +1,6 @@
 set(TEST_NAMES
   test_distribution
+  # Add additional unit test files here
 )
 
 foreach(test ${TEST_NAMES})

From ea1feef6e24eebb485659cbbf9ca3e6012be5b7f Mon Sep 17 00:00:00 2001
From: myerspat <myerspat@umich.edu>
Date: Fri, 23 Dec 2022 14:40:54 -0500
Subject: [PATCH 1429/2654] changing CTest workflow in CI

---
 .github/workflows/ci.yml | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index e9ac04d59..60a331e89 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -119,8 +119,8 @@ jobs:
       - name: test
         shell: bash
         run: |
+          make CTEST_OUTPUT_ON_FAILURE=1 test -C $GITHUB_WORKSPACE/build/
           $GITHUB_WORKSPACE/tools/ci/gha-script.sh
-          ctest --output-on-failure
 
       - name: after_success
         shell: bash

From 577157b846ac6885251ade59456967e4102d6b24 Mon Sep 17 00:00:00 2001
From: shimwell <mail@jshimwell.com>
Date: Sat, 24 Dec 2022 22:40:34 +0000
Subject: [PATCH 1430/2654] allowing xml file for materials

---
 openmc/geometry.py                | 29 +++++++++++++++++++----------
 tests/unit_tests/test_geometry.py | 19 ++++++++++++++++++-
 2 files changed, 37 insertions(+), 11 deletions(-)

diff --git a/openmc/geometry.py b/openmc/geometry.py
index a43899daa..eb7fa8200 100644
--- a/openmc/geometry.py
+++ b/openmc/geometry.py
@@ -1,3 +1,5 @@
+import os
+import typing
 from collections import OrderedDict, defaultdict
 from collections.abc import Iterable
 from copy import deepcopy
@@ -7,7 +9,7 @@ import warnings
 
 import openmc
 import openmc._xml as xml
-from .checkvalue import check_type, check_less_than, check_greater_than
+from .checkvalue import check_type, check_less_than, check_greater_than, PathLike
 
 
 class Geometry:
@@ -254,16 +256,20 @@ class Geometry:
             raise ValueError('Error determining root universe.')
 
     @classmethod
-    def from_xml(cls, path='geometry.xml', materials=None):
+    def from_xml(
+        cls,
+        path: PathLike = 'geometry.xml',
+        materials: typing.Optional[typing.Union[PathLike, 'openmc.Materials']] = 'materials.xml'
+    ):
         """Generate geometry from XML file
 
         Parameters
         ----------
-        path : str, optional
+        path : PathLike, optional
             Path to geometry XML file
-        materials : openmc.Materials or None
-            Materials used to assign to cells. If None, an attempt is made to
-            generate it from the materials.xml file.
+        materials : openmc.Materials or or PathLike
+            Materials used to assign to cells. If PathLike, an attempt is made
+            to generate materials from the provided xml file.
 
         Returns
         -------
@@ -271,10 +277,13 @@ class Geometry:
             Geometry object
 
         """
-        # Create dictionary to easily look up materials
-        if materials is None:
-            filename = Path(path).parent / 'materials.xml'
-            materials = openmc.Materials.from_xml(str(filename))
+
+        # Using str and os.Pathlike here to avoid error when using just the imported PathLike
+        # TypeError: Subscripted generics cannot be used with class and instance checks
+        check_type('materials', materials, (str, os.PathLike, openmc.Materials))
+
+        if isinstance(materials, (str, os.PathLike)):
+            materials = openmc.Materials.from_xml(materials)
 
         tree = ET.parse(path)
         root = tree.getroot()
diff --git a/tests/unit_tests/test_geometry.py b/tests/unit_tests/test_geometry.py
index 9db112fd2..843c01def 100644
--- a/tests/unit_tests/test_geometry.py
+++ b/tests/unit_tests/test_geometry.py
@@ -1,4 +1,5 @@
 import xml.etree.ElementTree as ET
+from pathlib import Path
 
 import numpy as np
 import openmc
@@ -274,7 +275,23 @@ def test_from_xml(run_in_tmpdir, mixed_lattice_model):
     # Export model
     mixed_lattice_model.export_to_xml()
 
-    # Import geometry
+    mats_from_xml = openmc.Materials.from_xml('materials.xml')
+    # checking string a Path are both acceptable
+    for path in ['geometry.xml', Path('geometry.xml')]:
+        for materials in [mats_from_xml, 'materials.xml']:
+            # Import geometry from file
+            geom = openmc.Geometry.from_xml(path=path, materials=materials)
+            assert isinstance(geom, openmc.Geometry)
+            ll, ur = geom.bounding_box
+            assert ll == pytest.approx((-6.0, -6.0, -np.inf))
+            assert ur == pytest.approx((6.0, 6.0, np.inf))
+
+    with pytest.raises(TypeError) as excinfo:
+        geom = openmc.Geometry.from_xml(path='geometry.xml', materials=None)
+    assert 'Unable to set "materials" to "None"' in str(excinfo.value)
+
+
+    # checking that the default args also work
     geom = openmc.Geometry.from_xml()
     assert isinstance(geom, openmc.Geometry)
     ll, ur = geom.bounding_box

From 238ab5210ee951dbfb6b91f0f14feac1a8e673ba Mon Sep 17 00:00:00 2001
From: NybergWISC <mnyberg@wisc.edu>
Date: Fri, 10 Jun 2022 13:31:39 -0500
Subject: [PATCH 1431/2654] Initial Mesh Sampling Changes

---
 include/openmc/mesh.h | 17 +++++++++
 src/mesh.cpp          | 84 +++++++++++++++++++++++++++++++++++++++++++
 2 files changed, 101 insertions(+)

diff --git a/include/openmc/mesh.h b/include/openmc/mesh.h
index eece0f1ff..6bf49b221 100644
--- a/include/openmc/mesh.h
+++ b/include/openmc/mesh.h
@@ -75,6 +75,12 @@ public:
 
   // Methods
 
+  //! Sample a mesh volume using a certain seed
+  //
+  //! \param[in] seed Seed to use for random sampling
+  //! \param[out] r Position within tet
+  virtual Position sample(uint64_t* seed) const=0;
+
   //! Determine which bins were crossed by a particle
   //
   //! \param[in] r0 Previous position of the particle
@@ -160,6 +166,8 @@ public:
     }
   };
 
+  Position sample(uint64_t* seed) const override;
+
   int get_bin(Position r) const override;
 
   int n_bins() const override;
@@ -460,7 +468,12 @@ public:
   static const std::string mesh_type;
   virtual std::string get_mesh_type() const override;
 
+  //! Sample a tetrahedron for an unstructured mesh
+  virtual Position sample_tet(std::array<Position, 4> coords, uint64_t* seed) const;
+
   // Overridden Methods
+  // TODO Position sample(uint64_t* seed) const=0;
+
   void surface_bins_crossed(Position r0, Position r1, const Direction& u,
     vector<int>& bins) const override;
 
@@ -552,6 +565,8 @@ public:
 
   // Overridden Methods
 
+  Position sample(uint64_t* seed) const override;
+
   void bins_crossed(Position r0, Position r1, const Direction& u,
     vector<int>& bins, vector<double>& lengths) const override;
 
@@ -714,6 +729,8 @@ public:
   void bins_crossed(Position r0, Position r1, const Direction& u,
     vector<int>& bins, vector<double>& lengths) const override;
 
+  Position sample(uint64_t* seed) const override;
+
   int get_bin(Position r) const override;
 
   int n_bins() const override;
diff --git a/src/mesh.cpp b/src/mesh.cpp
index d9ad0ce8a..191f0af5d 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -195,6 +195,37 @@ UnstructuredMesh::UnstructuredMesh(pugi::xml_node node) : Mesh(node)
   }
 }
 
+// Sample barycentric coordinates given a seed and the vertex positions and return the sampled position
+Position UnstructuredMesh::sample_tet(std::array<Position, 4> coords, uint64_t* seed) const {
+  // Uniform distribution
+  double s = prn(seed);
+  double t = prn(seed);
+  double u = prn(seed);
+
+  // From PyNE implementation of moab tet sampling
+  // C. Rocchini and P. Cignoni, “Generating Random Points in a Tetrahedron,”
+  if (s + t > 1) {
+      s = 1.0 - s;
+      t = 1.0 - t;
+  }
+  if (s + t + u > 1) {
+    if (t + u > 1) {
+      double old_t = t;
+      t = 1.0 - u;
+      u = 1.0 - s - old_t;
+    }else if (t + u <= 1) {
+      double old_s = s;
+      s = 1.0 - t - u;
+      u = old_s + t + u - 1;
+    }
+  }
+  return s*(coords[1]-coords[0]) 
+    + t*(coords[2]-coords[0]) 
+    + u*(coords[3]-coords[0]) 
+    + coords[0];
+
+}
+
 const std::string UnstructuredMesh::mesh_type = "unstructured";
 
 std::string UnstructuredMesh::get_mesh_type() const
@@ -327,6 +358,10 @@ StructuredMesh::MeshIndex StructuredMesh::get_indices_from_bin(int bin) const
   return ijk;
 }
 
+Position StructuredMesh::sample(uint64_t* seed) const {
+  fatal_error("Position sampling on structured meshes is not yet implemented");
+}
+
 int StructuredMesh::get_bin(Position r) const
 {
   // Determine indices
@@ -2049,6 +2084,36 @@ std::string MOABMesh::library() const
   return mesh_lib_type;
 }
 
+// Sample position within a tet for MOAB type tets
+Position MOABMesh::sample(uint64_t* seed) const {
+  // Get bin # assuming equal weights, IMP weigh by activity
+  int64_t tet_bin = round(n_bins()*prn(seed));
+
+  moab::EntityHandle tet_ent = get_ent_handle_from_bin(tet_bin);
+
+  // Get vertex coordinates for MOAB tet
+  vector<moab::EntityHandle> conn1;
+  moab::ErrorCode rval = mbi_->get_connectivity(&tet_ent, 1, conn1);
+  if (rval != moab::MB_SUCCESS) {
+    fatal_error("Failed to get tet connectivity");
+  }
+  moab::CartVect p[4];
+  rval = mbi_->get_coords(conn1.data(), conn1.size(), p[0].array());
+  if (rval != moab::MB_SUCCESS) {
+    fatal_error("Failed to get tet coords");
+  }
+
+  std::array<Position, 4> tet_verts;
+  for (int i = 0; i < 4; i++) {
+    tet_verts[i] =  {p[i][0], p[i][1], p[i][2]};
+  }
+  // Samples position within tet using Barycentric stuff  
+  Position r = this->sample_tet(tet_verts, seed);
+
+  return r;
+}
+
+
 double MOABMesh::tet_volume(moab::EntityHandle tet) const
 {
   vector<moab::EntityHandle> conn;
@@ -2501,6 +2566,25 @@ void LibMesh::initialize()
   bbox_ = libMesh::MeshTools::create_bounding_box(*m_);
 }
 
+// Sample position within a tet for LibMesh type tets
+Position LibMesh::sample(uint64_t* seed) const {
+  // Get bin # assuming equal weights, IMP weigh by activity
+  int64_t tet_xi = round(n_bins()*prn(seed));
+
+  const auto& elem = get_element_from_bin(tet_xi);
+
+  // Get tet vertex coordinates from LibMesh
+  std::array<Position, 4> tet_verts;
+  for (int i = 0; i < elem.n_nodes(); i++) {
+    auto node_ref = elem.node_ref(i);
+    tet_verts[i] =  {node_ref(0), node_ref(1), node_ref(2)};
+  }
+  // Samples position within tet using Barycentric coordinates  
+  Position r = this->sample_tet(tet_verts, seed);
+
+  return r;
+}
+
 Position LibMesh::centroid(int bin) const
 {
   const auto& elem = this->get_element_from_bin(bin);

From 80077ed3fd04758a1fb10095648e977b515a5305 Mon Sep 17 00:00:00 2001
From: NybergWISC <mnyberg@wisc.edu>
Date: Tue, 21 Jun 2022 12:06:45 -0500
Subject: [PATCH 1432/2654] New changes to spatial distribution and source to
 include mesh sources. Made some edits suggested by Shriwise, now compiles
 successfully

---
 include/openmc/distribution_spatial.h | 19 +++++++++++++++++++
 src/distribution_spatial.cpp          | 25 +++++++++++++++++++++++++
 src/mesh.cpp                          |  6 ++++--
 src/source.cpp                        |  2 ++
 4 files changed, 50 insertions(+), 2 deletions(-)

diff --git a/include/openmc/distribution_spatial.h b/include/openmc/distribution_spatial.h
index 5e426b878..8a77a4bd3 100644
--- a/include/openmc/distribution_spatial.h
+++ b/include/openmc/distribution_spatial.h
@@ -5,6 +5,7 @@
 
 #include "openmc/distribution.h"
 #include "openmc/position.h"
+#include "openmc/mesh.h"
 
 namespace openmc {
 
@@ -94,6 +95,24 @@ private:
   Position origin_;    //!< Cartesian coordinates of the sphere center
 };
 
+//==============================================================================
+//! Distribution of points within a mesh
+//==============================================================================
+
+class MeshIndependent : public SpatialDistribution {
+public:
+  explicit MeshIndependent(pugi::xml_node node);
+
+  //! Sample a position from the distribution
+  //! \param seed Pseudorandom number seed pointer
+  //! \return Sampled position
+  Position sample(uint64_t* seed) const;
+
+private:
+  UnstructuredMesh* umesh_ptr_;
+  Position sampled_;
+};
+
 //==============================================================================
 //! Uniform distribution of points over a box
 //==============================================================================
diff --git a/src/distribution_spatial.cpp b/src/distribution_spatial.cpp
index a06f84d80..f78c2c49b 100644
--- a/src/distribution_spatial.cpp
+++ b/src/distribution_spatial.cpp
@@ -180,6 +180,31 @@ Position SphericalIndependent::sample(uint64_t* seed) const
   return {x, y, z};
 }
 
+//==============================================================================
+// MeshIndependent implementation
+//==============================================================================
+
+// Loosely adapted Patrick's code shown here
+MeshIndependent::MeshIndependent(pugi::xml_node node)
+{
+  // No in-tet distributions implemented, could include distributions for the barycentric coords
+  
+  int32_t mesh_id = std::stoi(get_node_value(node, "mesh"));
+  const auto& mesh_ptr = model::meshes[mesh_id];
+
+  // line from Patrick code, unsure of use
+  // int bin = mesh_ptr->get_bin();
+  const UnstructuredMesh* umesh_ptr_ = dynamic_cast<UnstructuredMesh*>(mesh_ptr.get());
+  if (!umesh_ptr_) {fatal_error("Mesh passed to spatial distribution is not an unstructured mesh object"); }
+}
+
+Position MeshIndependent::sample(uint64_t* seed) const
+{ 
+  Position sampled_ = umesh_ptr_->sample(seed);
+  return sampled_;
+}
+
+
 //==============================================================================
 // SpatialBox implementation
 //==============================================================================
diff --git a/src/mesh.cpp b/src/mesh.cpp
index 191f0af5d..56d793079 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -2087,7 +2087,8 @@ std::string MOABMesh::library() const
 // Sample position within a tet for MOAB type tets
 Position MOABMesh::sample(uint64_t* seed) const {
   // Get bin # assuming equal weights, IMP weigh by activity
-  int64_t tet_bin = round(n_bins()*prn(seed));
+  // This may underweigh first and last bins
+  int64_t tet_bin = trunc(n_bins()*prn(seed));
 
   moab::EntityHandle tet_ent = get_ent_handle_from_bin(tet_bin);
 
@@ -2569,7 +2570,8 @@ void LibMesh::initialize()
 // Sample position within a tet for LibMesh type tets
 Position LibMesh::sample(uint64_t* seed) const {
   // Get bin # assuming equal weights, IMP weigh by activity
-  int64_t tet_xi = round(n_bins()*prn(seed));
+  // This may underweight first and last bin by 1/2 TODO
+  int64_t tet_xi = trunc(n_bins()*prn(seed));
 
   const auto& elem = get_element_from_bin(tet_xi);
 
diff --git a/src/source.cpp b/src/source.cpp
index 3a80e1156..58aac711f 100644
--- a/src/source.cpp
+++ b/src/source.cpp
@@ -94,6 +94,8 @@ IndependentSource::IndependentSource(pugi::xml_node node)
         space_ = UPtrSpace {new CylindricalIndependent(node_space)};
       } else if (type == "spherical") {
         space_ = UPtrSpace {new SphericalIndependent(node_space)};
+      } else if (type =="mesh"){
+        space_ = UPtrSpace {new MeshIndependent(node_space)};
       } else if (type == "box") {
         space_ = UPtrSpace {new SpatialBox(node_space)};
       } else if (type == "fission") {

From 9f6d536959e3bdfb2d47809410d40c317e253682 Mon Sep 17 00:00:00 2001
From: NybergWISC <mnyberg@wisc.edu>
Date: Wed, 6 Jul 2022 08:59:12 -0500
Subject: [PATCH 1433/2654] Commit including most of the sampling work in
 distribution_spatial.cpp and testing

---
 include/openmc/distribution_spatial.h         |    8 +-
 include/openmc/mesh.h                         |    8 +-
 openmc/settings.py                            |   10 +
 openmc/source.py                              |    1 +
 openmc/stats/multivariate.py                  |  118 ++
 src/distribution_spatial.cpp                  |   70 +-
 src/initialize.cpp                            |    1 -
 src/mesh.cpp                                  |   18 +-
 src/settings.cpp                              |   10 +-
 src/source.cpp                                |    4 -
 .../source_sampling/__init__.py               |    0
 .../source_sampling/inputs_true0.dat          | 1066 ++++++++++++++++
 .../source_sampling/inputs_true1.dat          | 1068 +++++++++++++++++
 .../source_sampling/inputs_true2.dat          | 1066 ++++++++++++++++
 .../source_sampling/inputs_true3.dat          | 1068 +++++++++++++++++
 .../unstructured_mesh/source_sampling/test.py |  190 +++
 .../source_sampling/test_mesh_tets.e          |    1 +
 .../source_sampling/test_mesh_tets.exo        |    1 +
 18 files changed, 4669 insertions(+), 39 deletions(-)
 create mode 100644 tests/regression_tests/unstructured_mesh/source_sampling/__init__.py
 create mode 100644 tests/regression_tests/unstructured_mesh/source_sampling/inputs_true0.dat
 create mode 100644 tests/regression_tests/unstructured_mesh/source_sampling/inputs_true1.dat
 create mode 100644 tests/regression_tests/unstructured_mesh/source_sampling/inputs_true2.dat
 create mode 100644 tests/regression_tests/unstructured_mesh/source_sampling/inputs_true3.dat
 create mode 100644 tests/regression_tests/unstructured_mesh/source_sampling/test.py
 create mode 120000 tests/regression_tests/unstructured_mesh/source_sampling/test_mesh_tets.e
 create mode 120000 tests/regression_tests/unstructured_mesh/source_sampling/test_mesh_tets.exo

diff --git a/include/openmc/distribution_spatial.h b/include/openmc/distribution_spatial.h
index 8a77a4bd3..1d6d6413b 100644
--- a/include/openmc/distribution_spatial.h
+++ b/include/openmc/distribution_spatial.h
@@ -110,7 +110,13 @@ public:
 
 private:
   UnstructuredMesh* umesh_ptr_;
-  Position sampled_;
+  int32_t mesh_map_idx_;
+  std::string sample_scheme_;
+  double total_weight_;
+  std::vector<double> mesh_CDF_;
+  std::vector<double> mesh_weights_;
+  int64_t tot_bins_;
+  
 };
 
 //==============================================================================
diff --git a/include/openmc/mesh.h b/include/openmc/mesh.h
index 6bf49b221..402b22455 100644
--- a/include/openmc/mesh.h
+++ b/include/openmc/mesh.h
@@ -79,7 +79,7 @@ public:
   //
   //! \param[in] seed Seed to use for random sampling
   //! \param[out] r Position within tet
-  virtual Position sample(uint64_t* seed) const=0;
+  virtual Position sample(uint64_t* seed, int32_t tet_bin) const=0;
 
   //! Determine which bins were crossed by a particle
   //
@@ -166,7 +166,7 @@ public:
     }
   };
 
-  Position sample(uint64_t* seed) const override;
+  Position sample(uint64_t* seed, int32_t tet_bin) const override;
 
   int get_bin(Position r) const override;
 
@@ -565,7 +565,7 @@ public:
 
   // Overridden Methods
 
-  Position sample(uint64_t* seed) const override;
+  Position sample(uint64_t* seed, int32_t tet_bin) const override;
 
   void bins_crossed(Position r0, Position r1, const Direction& u,
     vector<int>& bins, vector<double>& lengths) const override;
@@ -729,7 +729,7 @@ public:
   void bins_crossed(Position r0, Position r1, const Direction& u,
     vector<int>& bins, vector<double>& lengths) const override;
 
-  Position sample(uint64_t* seed) const override;
+  Position sample(uint64_t* seed, int32_t tet_bin) const override;
 
   int get_bin(Position r) const override;
 
diff --git a/openmc/settings.py b/openmc/settings.py
index 6f3ef5ab4..ecbe2d7ca 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -11,10 +11,12 @@ from typing import Optional
 from xml.etree import ElementTree as ET
 
 import openmc.checkvalue as cv
+from openmc.stats.multivariate import MeshIndependent
 
 from . import RegularMesh, Source, VolumeCalculation, WeightWindows
 from ._xml import clean_indentation, get_text, reorder_attributes
 from openmc.checkvalue import PathLike
+from .mesh import MeshBase
 
 
 class RunMode(Enum):
@@ -975,6 +977,8 @@ class Settings:
     def _create_source_subelement(self, root):
         for source in self.source:
             root.append(source.to_xml_element())
+            if isinstance(source.space, MeshIndependent):
+                root.append(source.space.mesh.to_xml_element())
 
     def _create_volume_calcs_subelement(self, root):
         for calc in self.volume_calculations:
@@ -1323,6 +1327,12 @@ class Settings:
     def _source_from_xml_element(self, root):
         for elem in root.findall('source'):
             self.source.append(Source.from_xml_element(elem))
+            if isinstance(Source.from_xml_element(elem), MeshIndependent):
+                mesh_id = int(get_text(elem, 'mesh'))
+                path = f"./mesh[@id='{mesh_id}']"
+                mesh_elem = root.find(path)
+                if mesh_elem is not None:
+                    self.source.space.mesh = MeshBase.from_xml_element(mesh_elem)
 
     def _volume_calcs_from_xml_element(self, root):
         volume_elems = root.findall("volume_calc")
diff --git a/openmc/source.py b/openmc/source.py
index 9293a5953..32f8ea3d6 100644
--- a/openmc/source.py
+++ b/openmc/source.py
@@ -16,6 +16,7 @@ from openmc.checkvalue import PathLike
 from openmc.stats.multivariate import UnitSphere, Spatial
 from openmc.stats.univariate import Univariate
 from ._xml import get_text
+from .mesh import MeshBase
 
 
 class Source:
diff --git a/openmc/stats/multivariate.py b/openmc/stats/multivariate.py
index 8bb319aa4..4484c62a6 100644
--- a/openmc/stats/multivariate.py
+++ b/openmc/stats/multivariate.py
@@ -3,12 +3,14 @@ from collections.abc import Iterable
 from math import pi, cos
 from numbers import Real
 from xml.etree import ElementTree as ET
+from xmlrpc.client import boolean
 
 import numpy as np
 
 import openmc.checkvalue as cv
 from .._xml import get_text
 from .univariate import Univariate, Uniform, PowerLaw
+from ..mesh import MeshBase
 
 
 class UnitSphere(ABC):
@@ -269,6 +271,8 @@ class Spatial(ABC):
             return CylindricalIndependent.from_xml_element(elem)
         elif distribution == 'spherical':
             return SphericalIndependent.from_xml_element(elem)
+        elif distribution == 'mesh':
+            return MeshIndependent.from_xml_element(elem)
         elif distribution == 'box' or distribution == 'fission':
             return Box.from_xml_element(elem)
         elif distribution == 'point':
@@ -616,6 +620,120 @@ class CylindricalIndependent(Spatial):
         origin = [float(x) for x in elem.get('origin').split()]
         return cls(r, phi, z, origin=origin)
 
+class MeshIndependent(Spatial):
+    """Spatial distribution for a mesh.
+
+    This distribution allows one to specify a mesh to sample over and the scheme to sample over the entire mesh. 
+
+    .. versionadded:: 0.13
+
+    Parameters
+    ----------
+    elem_weight_scheme : str, optional
+        The scheme for weighting and sampling elements from the mesh. Options are 'file' and 'volume' based weights.
+    mesh : openmc.MeshBase
+        The mesh instance used for sampling, mesh is written into settings.xml, mesh.id is written into the source distribution
+    weights_from_file : Iterable of Real, optional
+        A list of values which represent the weights of each element
+
+
+    Attributes
+    ----------
+    elem_weight_scheme : str, optional
+        Weighting scheme for sampling element from mesh, defaults to volume
+    mesh : openmc.MeshBase
+        The mesh instance used for sampling, mesh is written into settings.xml, mesh.id is written into the source distribution
+    weights_from_file : Iterable of Real, optional
+        A list of values which represent the weights of each element
+
+    """
+
+    def __init__(self, mesh, weights_from_file=None, volume_weighting=False):
+        self.mesh = mesh        
+        self.weights_from_file = weights_from_file
+        self.volume_weighting = volume_weighting
+
+    @property
+    def mesh(self):
+        return self._mesh
+
+    @mesh.setter
+    def mesh(self, mesh):
+        if mesh != None:
+            cv.check_type('Unstructured Mesh', mesh, MeshBase)
+        self._mesh = mesh
+
+    @property
+    def volume_weighting(self):
+        return self._volume_weighting
+
+    @volume_weighting.setter
+    def volume_weighting(self, volume_weighting):
+        cv.check_type('Scheme for sampling an element from the mesh', volume_weighting, bool)
+        self._volume_weighting = volume_weighting
+
+    @property
+    def weights_from_file(self):
+        return self._weights_from_file
+
+    @weights_from_file.setter
+    def weights_from_file(self, given_weights):
+        if given_weights is not None:
+            self._weights_from_file = (np.array(given_weights, dtype=float)).flatten()
+        else:
+            self._weights_from_file = None
+
+    @property
+    def num_weight_bins(self):
+        if self.weights_from_file == None:
+            raise ValueError('Weight bins are not set')
+        return self.weights_from_file.size
+                
+    def to_xml_element(self):
+        """Return XML representation of the spatial distribution
+
+        Returns
+        -------
+        element : xml.etree.ElementTree.Element
+            XML element containing spatial distribution data
+
+        """
+        element = ET.Element('space')
+        element.set('type', 'mesh')
+        element.set("mesh_id", str(self.mesh.id))
+        element.set("volume_weighting", str(self.volume_weighting))
+
+        if self.weights_from_file is not None:
+            subelement = ET.SubElement(element, 'weights_from_file')
+            subelement.text = ' '.join(str(e) for e in self.weights_from_file)
+
+        return element
+
+    @classmethod
+    def from_xml_element(cls, elem):
+        """Generate spatial distribution from an XML element
+
+        Parameters
+        ----------
+        elem : xml.etree.ElementTree.Element
+            XML element
+
+        Returns
+        -------
+        openmc.stats.MeshIndependent
+            Spatial distribution generated from XML element
+
+        """
+
+        mesh_id = int(elem.get('mesh_id'))
+        volume_weighting = elem.get("volume_weighting")
+        volume_weighting = get_text(elem, 'volume_weighting').lower() == 'true'
+        if elem.get('weights_from_file') is not None:
+            weights_from_file = [float(b) for b in get_text(elem, 'weights_from_file').split()]
+        else:
+            weights_from_file = None
+        return cls(volume_weighting, mesh_id, weights_from_file)
+
 
 class Box(Spatial):
     """Uniform distribution of coordinates in a rectangular cuboid.
diff --git a/src/distribution_spatial.cpp b/src/distribution_spatial.cpp
index f78c2c49b..fdac3433a 100644
--- a/src/distribution_spatial.cpp
+++ b/src/distribution_spatial.cpp
@@ -3,6 +3,11 @@
 #include "openmc/error.h"
 #include "openmc/random_lcg.h"
 #include "openmc/xml_interface.h"
+#include "openmc/mesh.h"
+#include "openmc/search.h"
+
+#include <iostream>
+#include <fstream>
 
 namespace openmc {
 
@@ -184,24 +189,71 @@ Position SphericalIndependent::sample(uint64_t* seed) const
 // MeshIndependent implementation
 //==============================================================================
 
-// Loosely adapted Patrick's code shown here
 MeshIndependent::MeshIndependent(pugi::xml_node node)
 {
   // No in-tet distributions implemented, could include distributions for the barycentric coords
+  // Read in unstructured mesh from mesh_id value
+  int32_t mesh_id = std::stoi(get_node_value(node, "mesh_id"));
+  // Get pointer to spatial distribution
+  mesh_map_idx_ = model::mesh_map.at(mesh_id);
+  const auto& mesh_ptr = model::meshes[mesh_map_idx_];
   
-  int32_t mesh_id = std::stoi(get_node_value(node, "mesh"));
-  const auto& mesh_ptr = model::meshes[mesh_id];
-
-  // line from Patrick code, unsure of use
-  // int bin = mesh_ptr->get_bin();
-  const UnstructuredMesh* umesh_ptr_ = dynamic_cast<UnstructuredMesh*>(mesh_ptr.get());
+  // Check whether mesh pointer points to an unstructured mesh
+  umesh_ptr_ = dynamic_cast<UnstructuredMesh*>(mesh_ptr.get());
   if (!umesh_ptr_) {fatal_error("Mesh passed to spatial distribution is not an unstructured mesh object"); }
+
+  // Create CDF based on weighting scheme
+  tot_bins_ = umesh_ptr_->n_bins();
+  std::vector<double> weights = {};
+  weights.resize(tot_bins_);
+  double temp_total_weight = 0.0;
+  mesh_CDF_.resize(tot_bins_+1);
+  mesh_CDF_[0] = {0.0};
+  total_weight_ = 0.0;
+  mesh_weights_.resize(tot_bins_);
+
+  // Create cdfs for sampling for an element over a mesh
+  // Volume scheme is weighted by the volume of each tet
+  // File scheme is weighted by an array given in the xml file
+
+  if (check_for_node(node, "weights_from_file")) {
+    mesh_weights_ = get_node_array<double>(node, "weights_from_file");
+    if (mesh_weights_.size() != tot_bins_){
+      write_message("WARNING: The size of the weights array from the xml file does not equal the number of elements in the mesh.");
+    } if (get_node_value_bool(node, "volume_weighting")){
+      for (int i = 0; i < tot_bins_; i++){
+        weights[i] = mesh_weights_[i]*umesh_ptr_->volume(i);
+      } 
+    } else if (!get_node_value_bool(node, "volume_weighting")){
+      for (int i = 0; i < tot_bins_; i++){
+        weights[i] = mesh_weights_[i];  
+      }
+    }
+  } else if (get_node_value_bool(node, "volume_weighting")){
+    for (int i = 0; i<tot_bins_; i++){
+      weights[i] = umesh_ptr_->volume(i);
+    }
+  } else {
+    for (int i = 0; i<tot_bins_; i++){
+      weights[i] = 1;
+    }
+  }
+  for (int i = 0; i<tot_bins_; i++){
+    temp_total_weight = temp_total_weight + weights[i];
+  }
+  total_weight_ = temp_total_weight;
+  for (int i = 0; i<tot_bins_; i++){
+    mesh_CDF_[i+1] = mesh_CDF_[i] + weights[i]/total_weight_;
+  }
 }
 
 Position MeshIndependent::sample(uint64_t* seed) const
 { 
-  Position sampled_ = umesh_ptr_->sample(seed);
-  return sampled_;
+  // Create random variable for sampling element from mesh
+  float eta = prn(seed);
+  // Sample over the CDF defined in initialization above
+  int32_t tet_bin = lower_bound_index(mesh_CDF_.begin(), mesh_CDF_.end(), eta);
+  return umesh_ptr_->sample(seed, tet_bin);
 }
 
 
diff --git a/src/initialize.cpp b/src/initialize.cpp
index 0c137795b..913e0b1a9 100644
--- a/src/initialize.cpp
+++ b/src/initialize.cpp
@@ -405,7 +405,6 @@ void read_separate_xml_files()
 
   // Finalize cross sections having assigned temperatures
   finalize_cross_sections();
-
   read_tallies_xml();
 
   // Initialize distribcell_filters
diff --git a/src/mesh.cpp b/src/mesh.cpp
index 56d793079..5225d3074 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -358,7 +358,7 @@ StructuredMesh::MeshIndex StructuredMesh::get_indices_from_bin(int bin) const
   return ijk;
 }
 
-Position StructuredMesh::sample(uint64_t* seed) const {
+Position StructuredMesh::sample(uint64_t* seed, int32_t tet_bin) const {
   fatal_error("Position sampling on structured meshes is not yet implemented");
 }
 
@@ -2085,10 +2085,7 @@ std::string MOABMesh::library() const
 }
 
 // Sample position within a tet for MOAB type tets
-Position MOABMesh::sample(uint64_t* seed) const {
-  // Get bin # assuming equal weights, IMP weigh by activity
-  // This may underweigh first and last bins
-  int64_t tet_bin = trunc(n_bins()*prn(seed));
+Position MOABMesh::sample(uint64_t* seed, int32_t tet_bin) const {
 
   moab::EntityHandle tet_ent = get_ent_handle_from_bin(tet_bin);
 
@@ -2568,18 +2565,13 @@ void LibMesh::initialize()
 }
 
 // Sample position within a tet for LibMesh type tets
-Position LibMesh::sample(uint64_t* seed) const {
-  // Get bin # assuming equal weights, IMP weigh by activity
-  // This may underweight first and last bin by 1/2 TODO
-  int64_t tet_xi = trunc(n_bins()*prn(seed));
-
-  const auto& elem = get_element_from_bin(tet_xi);
-
+Position LibMesh::sample(uint64_t* seed, int32_t tet_bin) const {
+  const auto& elem = get_element_from_bin(tet_bin);
   // Get tet vertex coordinates from LibMesh
   std::array<Position, 4> tet_verts;
   for (int i = 0; i < elem.n_nodes(); i++) {
     auto node_ref = elem.node_ref(i);
-    tet_verts[i] =  {node_ref(0), node_ref(1), node_ref(2)};
+    tet_verts[i] = {node_ref(0), node_ref(1), node_ref(2)};
   }
   // Samples position within tet using Barycentric coordinates  
   Position r = this->sample_tet(tet_verts, seed);
diff --git a/src/settings.cpp b/src/settings.cpp
index 6386ce52b..c3ecd46b4 100644
--- a/src/settings.cpp
+++ b/src/settings.cpp
@@ -279,6 +279,9 @@ void read_settings_xml(pugi::xml_node root)
     }
   }
 
+  // Check for user meshes and allocate
+  read_meshes(root);
+
   // Look for deprecated cross_sections.xml file in settings.xml
   if (check_for_node(root, "cross_sections")) {
     warning(
@@ -368,7 +371,6 @@ void read_settings_xml(pugi::xml_node root)
       }
     }
   }
-
   if (run_mode == RunMode::EIGENVALUE || run_mode == RunMode::FIXED_SOURCE) {
     // Read run parameters
     get_run_parameters(node_mode);
@@ -432,7 +434,6 @@ void read_settings_xml(pugi::xml_node root)
               "the OMP_NUM_THREADS environment variable to set the number of "
               "threads.");
   }
-
   // ==========================================================================
   // EXTERNAL SOURCE
 
@@ -461,7 +462,6 @@ void read_settings_xml(pugi::xml_node root)
       model::external_sources.push_back(make_unique<IndependentSource>(node));
     }
   }
-
   // Check if the user has specified to read surface source
   if (check_for_node(root, "surf_source_read")) {
     surf_source_read = true;
@@ -532,7 +532,6 @@ void read_settings_xml(pugi::xml_node root)
         std::stod(get_node_value(node_cutoff, "energy_positron"));
     }
   }
-
   // Particle trace
   if (check_for_node(root, "trace")) {
     auto temp = get_node_array<int64_t>(root, "trace");
@@ -564,9 +563,6 @@ void read_settings_xml(pugi::xml_node root)
     }
   }
 
-  // Read meshes
-  read_meshes(root);
-
   // Shannon Entropy mesh
   if (check_for_node(root, "entropy_mesh")) {
     int temp = std::stoi(get_node_value(root, "entropy_mesh"));
diff --git a/src/source.cpp b/src/source.cpp
index 58aac711f..2ceff9964 100644
--- a/src/source.cpp
+++ b/src/source.cpp
@@ -111,7 +111,6 @@ IndependentSource::IndependentSource(pugi::xml_node node)
       // If no spatial distribution specified, make it a point source
       space_ = UPtrSpace {new SpatialPoint()};
     }
-
     // Determine external source angular distribution
     if (check_for_node(node, "angle")) {
       // Get pointer to angular distribution
@@ -131,11 +130,9 @@ IndependentSource::IndependentSource(pugi::xml_node node)
         fatal_error(fmt::format(
           "Invalid angular distribution for external source: {}", type));
       }
-
     } else {
       angle_ = UPtrAngle {new Isotropic()};
     }
-
     // Determine external source energy distribution
     if (check_for_node(node, "energy")) {
       pugi::xml_node node_dist = node.child("energy");
@@ -144,7 +141,6 @@ IndependentSource::IndependentSource(pugi::xml_node node)
       // Default to a Watt spectrum with parameters 0.988 MeV and 2.249 MeV^-1
       energy_ = UPtrDist {new Watt(0.988e6, 2.249e-6)};
     }
-
     // Determine external source time distribution
     if (check_for_node(node, "time")) {
       pugi::xml_node node_dist = node.child("time");
diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/__init__.py b/tests/regression_tests/unstructured_mesh/source_sampling/__init__.py
new file mode 100644
index 000000000..e69de29bb
diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true0.dat b/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true0.dat
new file mode 100644
index 000000000..ee30a9dbe
--- /dev/null
+++ b/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true0.dat
@@ -0,0 +1,1066 @@
+<?xml version='1.0' encoding='utf-8'?>
+<geometry>
+  <cell id="1" material="3" name="x 0 y 0 z 0" region="1 -4 2 -5 3 -6" universe="1" />
+  <cell id="2" material="3" name="x 1 y 0 z 0" region="4 -7 2 -5 3 -6" universe="1" />
+  <cell id="3" material="3" name="x 2 y 0 z 0" region="7 -10 2 -5 3 -6" universe="1" />
+  <cell id="4" material="3" name="x 3 y 0 z 0" region="10 -13 2 -5 3 -6" universe="1" />
+  <cell id="5" material="3" name="x 4 y 0 z 0" region="13 -16 2 -5 3 -6" universe="1" />
+  <cell id="6" material="3" name="x 5 y 0 z 0" region="16 -19 2 -5 3 -6" universe="1" />
+  <cell id="7" material="3" name="x 6 y 0 z 0" region="19 -22 2 -5 3 -6" universe="1" />
+  <cell id="8" material="3" name="x 7 y 0 z 0" region="22 -25 2 -5 3 -6" universe="1" />
+  <cell id="9" material="3" name="x 8 y 0 z 0" region="25 -28 2 -5 3 -6" universe="1" />
+  <cell id="10" material="3" name="x 9 y 0 z 0" region="28 -31 2 -5 3 -6" universe="1" />
+  <cell id="11" material="3" name="x 0 y 1 z 0" region="1 -4 5 -8 3 -6" universe="1" />
+  <cell id="12" material="3" name="x 1 y 1 z 0" region="4 -7 5 -8 3 -6" universe="1" />
+  <cell id="13" material="3" name="x 2 y 1 z 0" region="7 -10 5 -8 3 -6" universe="1" />
+  <cell id="14" material="3" name="x 3 y 1 z 0" region="10 -13 5 -8 3 -6" universe="1" />
+  <cell id="15" material="3" name="x 4 y 1 z 0" region="13 -16 5 -8 3 -6" universe="1" />
+  <cell id="16" material="3" name="x 5 y 1 z 0" region="16 -19 5 -8 3 -6" universe="1" />
+  <cell id="17" material="3" name="x 6 y 1 z 0" region="19 -22 5 -8 3 -6" universe="1" />
+  <cell id="18" material="3" name="x 7 y 1 z 0" region="22 -25 5 -8 3 -6" universe="1" />
+  <cell id="19" material="3" name="x 8 y 1 z 0" region="25 -28 5 -8 3 -6" universe="1" />
+  <cell id="20" material="3" name="x 9 y 1 z 0" region="28 -31 5 -8 3 -6" universe="1" />
+  <cell id="21" material="3" name="x 0 y 2 z 0" region="1 -4 8 -11 3 -6" universe="1" />
+  <cell id="22" material="3" name="x 1 y 2 z 0" region="4 -7 8 -11 3 -6" universe="1" />
+  <cell id="23" material="3" name="x 2 y 2 z 0" region="7 -10 8 -11 3 -6" universe="1" />
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+  <surface boundary="vacuum" coeffs="10.0" id="32" name="Y plane at 10.0" type="y-plane" />
+  <surface boundary="vacuum" coeffs="10.0" id="33" name="Z plane at 10.0" type="z-plane" />
+</geometry>
+<?xml version='1.0' encoding='utf-8'?>
+<materials>
+  <material id="3" name="water">
+    <density units="atom/b-cm" value="0.07416" />
+    <nuclide ao="2.0" name="H1" />
+    <nuclide ao="1.0" name="O16" />
+  </material>
+</materials>
+<?xml version='1.0' encoding='utf-8'?>
+<settings>
+  <run_mode>fixed source</run_mode>
+  <particles>5000</particles>
+  <batches>2</batches>
+  <source strength="1.0">
+    <space mesh_id="1" type="mesh" volume_weighting="True" />
+    <energy type="discrete">
+      <parameters>15000000.0 1.0</parameters>
+    </energy>
+  </source>
+  <mesh id="1" library="libmesh" type="unstructured">
+    <filename>test_mesh_tets.e</filename>
+  </mesh>
+  <max_tracks>10000</max_tracks>
+</settings>
+<?xml version='1.0' encoding='utf-8'?>
+<tallies>
+  <tally id="1">
+    <scores>scatter total absorption</scores>
+  </tally>
+</tallies>
diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true1.dat b/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true1.dat
new file mode 100644
index 000000000..fca2bb796
--- /dev/null
+++ b/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true1.dat
@@ -0,0 +1,1068 @@
+<?xml version='1.0' encoding='utf-8'?>
+<geometry>
+  <cell id="1" material="3" name="x 0 y 0 z 0" region="1 -4 2 -5 3 -6" universe="1" />
+  <cell id="2" material="3" name="x 1 y 0 z 0" region="4 -7 2 -5 3 -6" universe="1" />
+  <cell id="3" material="3" name="x 2 y 0 z 0" region="7 -10 2 -5 3 -6" universe="1" />
+  <cell id="4" material="3" name="x 3 y 0 z 0" region="10 -13 2 -5 3 -6" universe="1" />
+  <cell id="5" material="3" name="x 4 y 0 z 0" region="13 -16 2 -5 3 -6" universe="1" />
+  <cell id="6" material="3" name="x 5 y 0 z 0" region="16 -19 2 -5 3 -6" universe="1" />
+  <cell id="7" material="3" name="x 6 y 0 z 0" region="19 -22 2 -5 3 -6" universe="1" />
+  <cell id="8" material="3" name="x 7 y 0 z 0" region="22 -25 2 -5 3 -6" universe="1" />
+  <cell id="9" material="3" name="x 8 y 0 z 0" region="25 -28 2 -5 3 -6" universe="1" />
+  <cell id="10" material="3" name="x 9 y 0 z 0" region="28 -31 2 -5 3 -6" universe="1" />
+  <cell id="11" material="3" name="x 0 y 1 z 0" region="1 -4 5 -8 3 -6" universe="1" />
+  <cell id="12" material="3" name="x 1 y 1 z 0" region="4 -7 5 -8 3 -6" universe="1" />
+  <cell id="13" material="3" name="x 2 y 1 z 0" region="7 -10 5 -8 3 -6" universe="1" />
+  <cell id="14" material="3" name="x 3 y 1 z 0" region="10 -13 5 -8 3 -6" universe="1" />
+  <cell id="15" material="3" name="x 4 y 1 z 0" region="13 -16 5 -8 3 -6" universe="1" />
+  <cell id="16" material="3" name="x 5 y 1 z 0" region="16 -19 5 -8 3 -6" universe="1" />
+  <cell id="17" material="3" name="x 6 y 1 z 0" region="19 -22 5 -8 3 -6" universe="1" />
+  <cell id="18" material="3" name="x 7 y 1 z 0" region="22 -25 5 -8 3 -6" universe="1" />
+  <cell id="19" material="3" name="x 8 y 1 z 0" region="25 -28 5 -8 3 -6" universe="1" />
+  <cell id="20" material="3" name="x 9 y 1 z 0" region="28 -31 5 -8 3 -6" universe="1" />
+  <cell id="21" material="3" name="x 0 y 2 z 0" region="1 -4 8 -11 3 -6" universe="1" />
+  <cell id="22" material="3" name="x 1 y 2 z 0" region="4 -7 8 -11 3 -6" universe="1" />
+  <cell id="23" material="3" name="x 2 y 2 z 0" region="7 -10 8 -11 3 -6" universe="1" />
+  <cell id="24" material="3" name="x 3 y 2 z 0" region="10 -13 8 -11 3 -6" universe="1" />
+  <cell id="25" material="3" name="x 4 y 2 z 0" region="13 -16 8 -11 3 -6" universe="1" />
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+  <cell id="32" material="3" name="x 1 y 3 z 0" region="4 -7 11 -14 3 -6" universe="1" />
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+    </space>
+    <energy type="discrete">
+      <parameters>15000000.0 1.0</parameters>
+    </energy>
+  </source>
+  <mesh id="1" library="libmesh" type="unstructured">
+    <filename>test_mesh_tets.e</filename>
+  </mesh>
+  <max_tracks>10000</max_tracks>
+</settings>
+<?xml version='1.0' encoding='utf-8'?>
+<tallies>
+  <tally id="1">
+    <scores>scatter total absorption</scores>
+  </tally>
+</tallies>
diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true2.dat b/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true2.dat
new file mode 100644
index 000000000..2cd7bf746
--- /dev/null
+++ b/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true2.dat
@@ -0,0 +1,1066 @@
+<?xml version='1.0' encoding='utf-8'?>
+<geometry>
+  <cell id="1" material="3" name="x 0 y 0 z 0" region="1 -4 2 -5 3 -6" universe="1" />
+  <cell id="2" material="3" name="x 1 y 0 z 0" region="4 -7 2 -5 3 -6" universe="1" />
+  <cell id="3" material="3" name="x 2 y 0 z 0" region="7 -10 2 -5 3 -6" universe="1" />
+  <cell id="4" material="3" name="x 3 y 0 z 0" region="10 -13 2 -5 3 -6" universe="1" />
+  <cell id="5" material="3" name="x 4 y 0 z 0" region="13 -16 2 -5 3 -6" universe="1" />
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+  <surface boundary="vacuum" coeffs="-2.0" id="15" name="Z plane at -2.0" type="z-plane" />
+  <surface boundary="vacuum" coeffs="0.0" id="16" name="X plane at 0.0" type="x-plane" />
+  <surface boundary="vacuum" coeffs="0.0" id="17" name="Y plane at 0.0" type="y-plane" />
+  <surface boundary="vacuum" coeffs="0.0" id="18" name="Z plane at 0.0" type="z-plane" />
+  <surface boundary="vacuum" coeffs="2.0" id="19" name="X plane at 2.0" type="x-plane" />
+  <surface boundary="vacuum" coeffs="2.0" id="20" name="Y plane at 2.0" type="y-plane" />
+  <surface boundary="vacuum" coeffs="2.0" id="21" name="Z plane at 2.0" type="z-plane" />
+  <surface boundary="vacuum" coeffs="4.0" id="22" name="X plane at 4.0" type="x-plane" />
+  <surface boundary="vacuum" coeffs="4.0" id="23" name="Y plane at 4.0" type="y-plane" />
+  <surface boundary="vacuum" coeffs="4.0" id="24" name="Z plane at 4.0" type="z-plane" />
+  <surface boundary="vacuum" coeffs="6.0" id="25" name="X plane at 6.0" type="x-plane" />
+  <surface boundary="vacuum" coeffs="6.0" id="26" name="Y plane at 6.0" type="y-plane" />
+  <surface boundary="vacuum" coeffs="6.0" id="27" name="Z plane at 6.0" type="z-plane" />
+  <surface boundary="vacuum" coeffs="8.0" id="28" name="X plane at 8.0" type="x-plane" />
+  <surface boundary="vacuum" coeffs="8.0" id="29" name="Y plane at 8.0" type="y-plane" />
+  <surface boundary="vacuum" coeffs="8.0" id="30" name="Z plane at 8.0" type="z-plane" />
+  <surface boundary="vacuum" coeffs="10.0" id="31" name="X plane at 10.0" type="x-plane" />
+  <surface boundary="vacuum" coeffs="10.0" id="32" name="Y plane at 10.0" type="y-plane" />
+  <surface boundary="vacuum" coeffs="10.0" id="33" name="Z plane at 10.0" type="z-plane" />
+</geometry>
+<?xml version='1.0' encoding='utf-8'?>
+<materials>
+  <material id="3" name="water">
+    <density units="atom/b-cm" value="0.07416" />
+    <nuclide ao="2.0" name="H1" />
+    <nuclide ao="1.0" name="O16" />
+  </material>
+</materials>
+<?xml version='1.0' encoding='utf-8'?>
+<settings>
+  <run_mode>fixed source</run_mode>
+  <particles>5000</particles>
+  <batches>2</batches>
+  <source strength="1.0">
+    <space mesh_id="1" type="mesh" volume_weighting="True" />
+    <energy type="discrete">
+      <parameters>15000000.0 1.0</parameters>
+    </energy>
+  </source>
+  <mesh id="1" library="moab" type="unstructured">
+    <filename>test_mesh_tets.e</filename>
+  </mesh>
+  <max_tracks>10000</max_tracks>
+</settings>
+<?xml version='1.0' encoding='utf-8'?>
+<tallies>
+  <tally id="1">
+    <scores>scatter total absorption</scores>
+  </tally>
+</tallies>
diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true3.dat b/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true3.dat
new file mode 100644
index 000000000..271ef9b1b
--- /dev/null
+++ b/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true3.dat
@@ -0,0 +1,1068 @@
+<?xml version='1.0' encoding='utf-8'?>
+<geometry>
+  <cell id="1" material="3" name="x 0 y 0 z 0" region="1 -4 2 -5 3 -6" universe="1" />
+  <cell id="2" material="3" name="x 1 y 0 z 0" region="4 -7 2 -5 3 -6" universe="1" />
+  <cell id="3" material="3" name="x 2 y 0 z 0" region="7 -10 2 -5 3 -6" universe="1" />
+  <cell id="4" material="3" name="x 3 y 0 z 0" region="10 -13 2 -5 3 -6" universe="1" />
+  <cell id="5" material="3" name="x 4 y 0 z 0" region="13 -16 2 -5 3 -6" universe="1" />
+  <cell id="6" material="3" name="x 5 y 0 z 0" region="16 -19 2 -5 3 -6" universe="1" />
+  <cell id="7" material="3" name="x 6 y 0 z 0" region="19 -22 2 -5 3 -6" universe="1" />
+  <cell id="8" material="3" name="x 7 y 0 z 0" region="22 -25 2 -5 3 -6" universe="1" />
+  <cell id="9" material="3" name="x 8 y 0 z 0" region="25 -28 2 -5 3 -6" universe="1" />
+  <cell id="10" material="3" name="x 9 y 0 z 0" region="28 -31 2 -5 3 -6" universe="1" />
+  <cell id="11" material="3" name="x 0 y 1 z 0" region="1 -4 5 -8 3 -6" universe="1" />
+  <cell id="12" material="3" name="x 1 y 1 z 0" region="4 -7 5 -8 3 -6" universe="1" />
+  <cell id="13" material="3" name="x 2 y 1 z 0" region="7 -10 5 -8 3 -6" universe="1" />
+  <cell id="14" material="3" name="x 3 y 1 z 0" region="10 -13 5 -8 3 -6" universe="1" />
+  <cell id="15" material="3" name="x 4 y 1 z 0" region="13 -16 5 -8 3 -6" universe="1" />
+  <cell id="16" material="3" name="x 5 y 1 z 0" region="16 -19 5 -8 3 -6" universe="1" />
+  <cell id="17" material="3" name="x 6 y 1 z 0" region="19 -22 5 -8 3 -6" universe="1" />
+  <cell id="18" material="3" name="x 7 y 1 z 0" region="22 -25 5 -8 3 -6" universe="1" />
+  <cell id="19" material="3" name="x 8 y 1 z 0" region="25 -28 5 -8 3 -6" universe="1" />
+  <cell id="20" material="3" name="x 9 y 1 z 0" region="28 -31 5 -8 3 -6" universe="1" />
+  <cell id="21" material="3" name="x 0 y 2 z 0" region="1 -4 8 -11 3 -6" universe="1" />
+  <cell id="22" material="3" name="x 1 y 2 z 0" region="4 -7 8 -11 3 -6" universe="1" />
+  <cell id="23" material="3" name="x 2 y 2 z 0" region="7 -10 8 -11 3 -6" universe="1" />
+  <cell id="24" material="3" name="x 3 y 2 z 0" region="10 -13 8 -11 3 -6" universe="1" />
+  <cell id="25" material="3" name="x 4 y 2 z 0" region="13 -16 8 -11 3 -6" universe="1" />
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+  <cell id="30" material="3" name="x 9 y 2 z 0" region="28 -31 8 -11 3 -6" universe="1" />
+  <cell id="31" material="3" name="x 0 y 3 z 0" region="1 -4 11 -14 3 -6" universe="1" />
+  <cell id="32" material="3" name="x 1 y 3 z 0" region="4 -7 11 -14 3 -6" universe="1" />
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0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0</weights_from_file>
+    </space>
+    <energy type="discrete">
+      <parameters>15000000.0 1.0</parameters>
+    </energy>
+  </source>
+  <mesh id="1" library="moab" type="unstructured">
+    <filename>test_mesh_tets.e</filename>
+  </mesh>
+  <max_tracks>10000</max_tracks>
+</settings>
+<?xml version='1.0' encoding='utf-8'?>
+<tallies>
+  <tally id="1">
+    <scores>scatter total absorption</scores>
+  </tally>
+</tallies>
diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/test.py b/tests/regression_tests/unstructured_mesh/source_sampling/test.py
new file mode 100644
index 000000000..3149e80aa
--- /dev/null
+++ b/tests/regression_tests/unstructured_mesh/source_sampling/test.py
@@ -0,0 +1,190 @@
+import glob
+from itertools import product
+import os
+
+import openmc
+import openmc.lib
+import numpy as np
+
+import pytest
+from tests.testing_harness import PyAPITestHarness
+from tests.regression_tests import config
+from subprocess import call
+
+TETS_PER_VOXEL = 12
+
+class UnstructuredMeshSourceTest(PyAPITestHarness):
+    def __init__(self, statepoint_name, model, inputs_true, schemes):
+
+        super().__init__(statepoint_name, model, inputs_true)
+        self.schemes = schemes
+
+    def _run_openmc(self):
+        kwargs = {'openmc_exec' : config['exe'],
+                  'event_based' : config['event'],
+                  'tracks' : "True"}
+
+        if config['mpi']:
+            kwargs['mpi_args'] = [config['mpiexec'], '-n', config['mpi_np']]
+
+        openmc.run(**kwargs)
+
+    def _compare_results(self):
+
+        average_in_hex = 10.0
+
+
+        call(['../../../../scripts/openmc-track-combine', '-o', 'tracks.h5'] +
+                glob.glob('tracks_p*.h5'))
+
+        # loop over the tracks and get data
+        tracks = openmc.Tracks(filepath='tracks.h5')
+        tracks_born = np.empty((len(tracks), 1))
+        decimals = 0
+
+        instances = np.zeros(1000)
+
+        for i in range(0, len(tracks)):
+            tracks_born[i] = tracks[i].particle_tracks[0].states['cell_id'][0]
+            instances[int(tracks_born[i])-1] = instances[int(tracks_born[i])-1]+1
+
+        if self.schemes == "file":
+            assert(instances[0] > 0 and instances[1] > 0)
+            assert(instances[0] > instances[1])
+            
+            for i in range(0, len(instances)):
+                if i != 0 and i != 1:
+                    assert(instances[i] == 0)
+
+        else:
+            assert(np.average(instances) == average_in_hex)
+            assert(np.std(instances) < np.average(instances))  
+            assert(np.amax(instances) < np.average(instances)+6*np.std(instances))
+            
+
+    def _cleanup(self):
+        super()._cleanup()
+        output = glob.glob('tally*.vtk')
+        output += glob.glob('tally*.e')
+        for f in output:
+            if os.path.exists(f):
+                os.remove(f)
+
+    
+
+
+param_values = (['libmesh', 'moab'], # mesh libraries
+                ['volume', 'file']) # Element weighting schemes
+
+test_cases = []
+# for i, (lib, holes) in enumerate(product(*param_values)):
+for i, (lib, schemes) in enumerate(product(*param_values)):
+    test_cases.append({'library' : lib,
+                       'schemes' : schemes,
+                       'inputs_true' : 'inputs_true{}.dat'.format(i)})
+
+
+@pytest.mark.parametrize("test_opts", test_cases)
+def test_unstructured_mesh(test_opts):
+
+    openmc.reset_auto_ids()
+
+    # skip the test if the library is not enabled
+    if test_opts['library'] == 'moab' and not openmc.lib._dagmc_enabled():
+        pytest.skip("DAGMC (and MOAB) mesh not enabled in this build.")
+
+    if test_opts['library'] == 'libmesh' and not openmc.lib._libmesh_enabled():
+        pytest.skip("LibMesh is not enabled in this build.")
+
+    ### Materials ###
+    materials = openmc.Materials()
+
+    water_mat = openmc.Material(material_id=3, name="water")
+    water_mat.add_nuclide("H1", 2.0)
+    water_mat.add_nuclide("O16", 1.0)
+    water_mat.set_density("atom/b-cm", 0.07416)
+    materials.append(water_mat)
+
+    materials.export_to_xml()
+
+    ### Geometry ###
+    dimen = 10
+    size_hex = 20.0/dimen
+
+    ### Geometry ###
+    cell = np.empty((dimen, dimen, dimen), dtype=object)
+    surfaces = np.empty((dimen+1, 3), dtype=object)
+
+    geometry = openmc.Geometry()
+    universe = openmc.Universe(universe_id=1, name="Contains all hexes")
+
+    for i in range(0,dimen+1):
+        surfaces[i][0] = openmc.XPlane(-10.0+i*size_hex, name="X plane at "+str(-10.0+i*size_hex))
+        surfaces[i][1] = openmc.YPlane(-10.0+i*size_hex, name="Y plane at "+str(-10.0+i*size_hex))
+        surfaces[i][2] = openmc.ZPlane(-10.0+i*size_hex, name="Z plane at "+str(-10.0+i*size_hex))
+
+        surfaces[i][0].boundary_type = 'vacuum'
+        surfaces[i][1].boundary_type = 'vacuum'
+        surfaces[i][2].boundary_type = 'vacuum'
+
+    for k in range(0,dimen):
+        for j in range(0,dimen):
+            for i in range(0,dimen):
+                cell[i][j][k] = openmc.Cell(name=("x " + str(i) +" y " + str(j) +" z " + str(k)))
+                cell[i][j][k].region = +surfaces[i][0] & -surfaces[i+1][0] & \
+                                    +surfaces[j][1] & -surfaces[j+1][1] & \
+                                    +surfaces[k][2] & -surfaces[k+1][2]
+                cell[i][j][k].fill = water_mat
+                universe.add_cell(cell[i][j][k])
+
+    geometry = openmc.Geometry(universe)
+
+    mesh_filename = "test_mesh_tets.e"
+
+    uscd_mesh = openmc.UnstructuredMesh(mesh_filename, test_opts['library'])
+
+    ### Tallies ###
+
+    # create tallies
+    tallies = openmc.Tallies()
+
+    tally1 = openmc.Tally(1)
+    tally1.scores = ['scatter', 'total', 'absorption']
+    # Export tallies
+    tallies = openmc.Tallies([tally1])
+    tallies.export_to_xml()
+
+    ### Settings ###
+    settings = openmc.Settings()
+    settings.run_mode = 'fixed source'
+    settings.particles = 5000
+    settings.batches = 2
+
+    # settings.create_fission_neutrons = False
+    settings.tracks = [(1, 1, 1)]
+    settings.max_tracks = 10000
+
+    # source setup
+    if test_opts['schemes'] == 'volume':
+        space = openmc.stats.MeshIndependent(volume_weighting=True, mesh=uscd_mesh)
+    elif test_opts['schemes'] == 'file':
+        array = np.zeros(12000)
+        for i in range(0, 12):
+            array[i] = 10
+            array[i+12] = 2
+        space = openmc.stats.MeshIndependent(volume_weighting=False, weights_from_file=array, mesh=uscd_mesh)
+
+    energy = openmc.stats.Discrete(x=[15.e+06], p=[1.0])
+    source = openmc.Source(space=space, energy=energy)
+    settings.source = source
+
+    model = openmc.model.Model(geometry=geometry,
+                               materials=materials,
+                               tallies=tallies,
+                               settings=settings)
+
+    harness = UnstructuredMeshSourceTest('statepoint.2.h5',
+                                   model,
+                                   test_opts['inputs_true'],
+                                   test_opts['schemes'])
+    harness.main()
diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/test_mesh_tets.e b/tests/regression_tests/unstructured_mesh/source_sampling/test_mesh_tets.e
new file mode 120000
index 000000000..0aa0d1a23
--- /dev/null
+++ b/tests/regression_tests/unstructured_mesh/source_sampling/test_mesh_tets.e
@@ -0,0 +1 @@
+../test_mesh_tets.e
\ No newline at end of file
diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/test_mesh_tets.exo b/tests/regression_tests/unstructured_mesh/source_sampling/test_mesh_tets.exo
new file mode 120000
index 000000000..6d40011d4
--- /dev/null
+++ b/tests/regression_tests/unstructured_mesh/source_sampling/test_mesh_tets.exo
@@ -0,0 +1 @@
+../test_mesh_tets.exo
\ No newline at end of file

From 7a3a1876e1a0dc063e43fd1b03ef7d0da1633ff0 Mon Sep 17 00:00:00 2001
From: Matthew Nyberg <mnyberg@wisc.edu>
Date: Mon, 8 Aug 2022 08:35:13 -0500
Subject: [PATCH 1434/2654] Reorganize imports in source_sampling/test.py

Co-authored-by: Patrick Shriwise <pshriwise@gmail.com>
---
 .../unstructured_mesh/source_sampling/test.py              | 7 ++++---
 1 file changed, 4 insertions(+), 3 deletions(-)

diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/test.py b/tests/regression_tests/unstructured_mesh/source_sampling/test.py
index 3149e80aa..f6262971a 100644
--- a/tests/regression_tests/unstructured_mesh/source_sampling/test.py
+++ b/tests/regression_tests/unstructured_mesh/source_sampling/test.py
@@ -2,11 +2,12 @@ import glob
 from itertools import product
 import os
 
-import openmc
-import openmc.lib
+import pytest
 import numpy as np
 
-import pytest
+import openmc
+import openmc.lib
+
 from tests.testing_harness import PyAPITestHarness
 from tests.regression_tests import config
 from subprocess import call

From 7c40badfbc62bed28d0771fdc656f4baff41e25b Mon Sep 17 00:00:00 2001
From: NybergWISC <mnyberg@wisc.edu>
Date: Mon, 8 Aug 2022 11:21:09 -0500
Subject: [PATCH 1435/2654] Address comments on initial PR, all changed other
 than name of class and the use of python API to combine track outputs

---
 include/openmc/distribution_spatial.h         |    5 +-
 include/openmc/mesh.h                         |    6 +-
 openmc/settings.py                            |    4 +-
 openmc/stats/multivariate.py                  |   72 +-
 src/distribution_spatial.cpp                  |   43 +-
 src/mesh.cpp                                  |   12 +-
 .../source_sampling/inputs_true0.dat          | 2002 ++++++++--------
 .../source_sampling/inputs_true1.dat          | 2004 ++++++++---------
 .../source_sampling/inputs_true2.dat          | 2002 ++++++++--------
 .../source_sampling/inputs_true3.dat          | 2004 ++++++++---------
 .../unstructured_mesh/source_sampling/test.py |   53 +-
 11 files changed, 4096 insertions(+), 4111 deletions(-)

diff --git a/include/openmc/distribution_spatial.h b/include/openmc/distribution_spatial.h
index 1d6d6413b..8864e1139 100644
--- a/include/openmc/distribution_spatial.h
+++ b/include/openmc/distribution_spatial.h
@@ -112,11 +112,10 @@ private:
   UnstructuredMesh* umesh_ptr_;
   int32_t mesh_map_idx_;
   std::string sample_scheme_;
-  double total_weight_;
+  double total_strength_;
   std::vector<double> mesh_CDF_;
-  std::vector<double> mesh_weights_;
+  std::vector<double> mesh_strengths_;
   int64_t tot_bins_;
-  
 };
 
 //==============================================================================
diff --git a/include/openmc/mesh.h b/include/openmc/mesh.h
index 402b22455..a4104f75a 100644
--- a/include/openmc/mesh.h
+++ b/include/openmc/mesh.h
@@ -468,9 +468,6 @@ public:
   static const std::string mesh_type;
   virtual std::string get_mesh_type() const override;
 
-  //! Sample a tetrahedron for an unstructured mesh
-  virtual Position sample_tet(std::array<Position, 4> coords, uint64_t* seed) const;
-
   // Overridden Methods
   // TODO Position sample(uint64_t* seed) const=0;
 
@@ -545,6 +542,9 @@ protected:
     1.0}; //!< Constant multiplication factor to apply to mesh coordinates
   bool specified_length_multiplier_ {false};
 
+  //! Sample a tetrahedron for an unstructured mesh
+  Position sample_tet(std::array<Position, 4> coords, uint64_t* seed) const;
+
 private:
   //! Setup method for the mesh. Builds data structures,
   //! sets up element mapping, creates bounding boxes, etc.
diff --git a/openmc/settings.py b/openmc/settings.py
index ecbe2d7ca..045cccd5c 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -978,7 +978,9 @@ class Settings:
         for source in self.source:
             root.append(source.to_xml_element())
             if isinstance(source.space, MeshIndependent):
-                root.append(source.space.mesh.to_xml_element())
+                path = f"./mesh[@id='{source.space.mesh.id}']" 
+                if root.find(path) is None: 
+                    root.append(source.space.mesh.to_xml_element())
 
     def _create_volume_calcs_subelement(self, root):
         for calc in self.volume_calculations:
diff --git a/openmc/stats/multivariate.py b/openmc/stats/multivariate.py
index 4484c62a6..0df540ddd 100644
--- a/openmc/stats/multivariate.py
+++ b/openmc/stats/multivariate.py
@@ -3,7 +3,6 @@ from collections.abc import Iterable
 from math import pi, cos
 from numbers import Real
 from xml.etree import ElementTree as ET
-from xmlrpc.client import boolean
 
 import numpy as np
 
@@ -629,29 +628,25 @@ class MeshIndependent(Spatial):
 
     Parameters
     ----------
-    elem_weight_scheme : str, optional
-        The scheme for weighting and sampling elements from the mesh. Options are 'file' and 'volume' based weights.
     mesh : openmc.MeshBase
         The mesh instance used for sampling, mesh is written into settings.xml, mesh.id is written into the source distribution
-    weights_from_file : Iterable of Real, optional
+    strengths : Iterable of Real, optional
         A list of values which represent the weights of each element
 
 
     Attributes
     ----------
-    elem_weight_scheme : str, optional
-        Weighting scheme for sampling element from mesh, defaults to volume
     mesh : openmc.MeshBase
         The mesh instance used for sampling, mesh is written into settings.xml, mesh.id is written into the source distribution
-    weights_from_file : Iterable of Real, optional
+    strengths : Iterable of Real, optional
         A list of values which represent the weights of each element
 
     """
 
-    def __init__(self, mesh, weights_from_file=None, volume_weighting=False):
+    def __init__(self, mesh, strengths=None, volume_normalized=False):
         self.mesh = mesh        
-        self.weights_from_file = weights_from_file
-        self.volume_weighting = volume_weighting
+        self.strengths = strengths
+        self.volume_normalized = volume_normalized
 
     @property
     def mesh(self):
@@ -660,34 +655,35 @@ class MeshIndependent(Spatial):
     @mesh.setter
     def mesh(self, mesh):
         if mesh != None:
-            cv.check_type('Unstructured Mesh', mesh, MeshBase)
+            cv.check_type('Unstructured Mesh instance', mesh, MeshBase)
         self._mesh = mesh
 
     @property
-    def volume_weighting(self):
-        return self._volume_weighting
+    def volume_normalized(self):
+        return self._volume_normalized
 
-    @volume_weighting.setter
-    def volume_weighting(self, volume_weighting):
-        cv.check_type('Scheme for sampling an element from the mesh', volume_weighting, bool)
-        self._volume_weighting = volume_weighting
+    @volume_normalized.setter
+    def volume_normalized(self, volume_normalized):
+        cv.check_type('Normalize (multiply) strengths by volume', volume_normalized, bool)
+        self._volume_normalized = volume_normalized
 
     @property
-    def weights_from_file(self):
-        return self._weights_from_file
+    def strengths(self):
+        return self._strengths
 
-    @weights_from_file.setter
-    def weights_from_file(self, given_weights):
-        if given_weights is not None:
-            self._weights_from_file = (np.array(given_weights, dtype=float)).flatten()
+    @strengths.setter
+    def strengths(self, given_strengths):
+        if given_strengths is not None:
+            cv.check_type('strengths array passed in', given_strengths, Iterable, Real)
+            self._strengths = np.array(given_strengths, dtype=float).flatten()
         else:
-            self._weights_from_file = None
+            self._strengths = None
 
     @property
-    def num_weight_bins(self):
-        if self.weights_from_file == None:
-            raise ValueError('Weight bins are not set')
-        return self.weights_from_file.size
+    def num_strength_bins(self):
+        if self.strengths == None:
+            raise ValueError('Strengths are not set')
+        return self.strengths.size
                 
     def to_xml_element(self):
         """Return XML representation of the spatial distribution
@@ -701,11 +697,11 @@ class MeshIndependent(Spatial):
         element = ET.Element('space')
         element.set('type', 'mesh')
         element.set("mesh_id", str(self.mesh.id))
-        element.set("volume_weighting", str(self.volume_weighting))
+        element.set("volume_normalized", str(self.volume_normalized))
 
-        if self.weights_from_file is not None:
-            subelement = ET.SubElement(element, 'weights_from_file')
-            subelement.text = ' '.join(str(e) for e in self.weights_from_file)
+        if self.strengths is not None:
+            subelement = ET.SubElement(element, 'strengths')
+            subelement.text = ' '.join(str(e) for e in self.strengths)
 
         return element
 
@@ -726,13 +722,13 @@ class MeshIndependent(Spatial):
         """
 
         mesh_id = int(elem.get('mesh_id'))
-        volume_weighting = elem.get("volume_weighting")
-        volume_weighting = get_text(elem, 'volume_weighting').lower() == 'true'
-        if elem.get('weights_from_file') is not None:
-            weights_from_file = [float(b) for b in get_text(elem, 'weights_from_file').split()]
+        volume_normalized = elem.get("volume_normalized")
+        volume_normalized = get_text(elem, 'volume_normalized').lower() == 'true'
+        if elem.get('strengths') is not None:
+            strengths = [float(b) for b in get_text(elem, 'strengths').split()]
         else:
-            weights_from_file = None
-        return cls(volume_weighting, mesh_id, weights_from_file)
+            strengths = None
+        return cls(volume_normalized, mesh_id, strengths)
 
 
 class Box(Spatial):
diff --git a/src/distribution_spatial.cpp b/src/distribution_spatial.cpp
index fdac3433a..0ac24e39a 100644
--- a/src/distribution_spatial.cpp
+++ b/src/distribution_spatial.cpp
@@ -6,9 +6,6 @@
 #include "openmc/mesh.h"
 #include "openmc/search.h"
 
-#include <iostream>
-#include <fstream>
-
 namespace openmc {
 
 //==============================================================================
@@ -202,48 +199,48 @@ MeshIndependent::MeshIndependent(pugi::xml_node node)
   umesh_ptr_ = dynamic_cast<UnstructuredMesh*>(mesh_ptr.get());
   if (!umesh_ptr_) {fatal_error("Mesh passed to spatial distribution is not an unstructured mesh object"); }
 
-  // Create CDF based on weighting scheme
+  // Initialize arrays for CDF creation
   tot_bins_ = umesh_ptr_->n_bins();
-  std::vector<double> weights = {};
-  weights.resize(tot_bins_);
-  double temp_total_weight = 0.0;
+  std::vector<double> strengths = {};
+  strengths.resize(tot_bins_);
+  double temp_total_strength = 0.0;
   mesh_CDF_.resize(tot_bins_+1);
   mesh_CDF_[0] = {0.0};
-  total_weight_ = 0.0;
-  mesh_weights_.resize(tot_bins_);
+  total_strength_ = 0.0;
+  mesh_strengths_.resize(tot_bins_);
 
   // Create cdfs for sampling for an element over a mesh
   // Volume scheme is weighted by the volume of each tet
   // File scheme is weighted by an array given in the xml file
 
-  if (check_for_node(node, "weights_from_file")) {
-    mesh_weights_ = get_node_array<double>(node, "weights_from_file");
-    if (mesh_weights_.size() != tot_bins_){
-      write_message("WARNING: The size of the weights array from the xml file does not equal the number of elements in the mesh.");
-    } if (get_node_value_bool(node, "volume_weighting")){
+  if (check_for_node(node, "strengths")) {
+    mesh_strengths_ = get_node_array<double>(node, "strengths");
+    if (mesh_strengths_.size() != tot_bins_){
+      fatal_error("The size of the strengths array from the xml file does not equal the number of elements in the mesh.");
+    } if (get_node_value_bool(node, "volume_normalized")){
       for (int i = 0; i < tot_bins_; i++){
-        weights[i] = mesh_weights_[i]*umesh_ptr_->volume(i);
+        strengths[i] = mesh_strengths_[i]*umesh_ptr_->volume(i);
       } 
-    } else if (!get_node_value_bool(node, "volume_weighting")){
+    } else if (!get_node_value_bool(node, "volume_normalized")){
       for (int i = 0; i < tot_bins_; i++){
-        weights[i] = mesh_weights_[i];  
+        strengths[i] = mesh_strengths_[i];  
       }
     }
-  } else if (get_node_value_bool(node, "volume_weighting")){
+  } else if (get_node_value_bool(node, "volume_normalized")){
     for (int i = 0; i<tot_bins_; i++){
-      weights[i] = umesh_ptr_->volume(i);
+      strengths[i] = umesh_ptr_->volume(i);
     }
   } else {
     for (int i = 0; i<tot_bins_; i++){
-      weights[i] = 1;
+      strengths[i] = 1;
     }
   }
   for (int i = 0; i<tot_bins_; i++){
-    temp_total_weight = temp_total_weight + weights[i];
+    temp_total_strength = temp_total_strength + strengths[i];
   }
-  total_weight_ = temp_total_weight;
+  total_strength_ = temp_total_strength;
   for (int i = 0; i<tot_bins_; i++){
-    mesh_CDF_[i+1] = mesh_CDF_[i] + weights[i]/total_weight_;
+    mesh_CDF_[i+1] = mesh_CDF_[i] + strengths[i]/total_strength_;
   }
 }
 
diff --git a/src/mesh.cpp b/src/mesh.cpp
index 5225d3074..b37c238f1 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -358,7 +358,7 @@ StructuredMesh::MeshIndex StructuredMesh::get_indices_from_bin(int bin) const
   return ijk;
 }
 
-Position StructuredMesh::sample(uint64_t* seed, int32_t tet_bin) const {
+Position StructuredMesh::sample(uint64_t* seed, int32_t bin) const {
   fatal_error("Position sampling on structured meshes is not yet implemented");
 }
 
@@ -2085,9 +2085,9 @@ std::string MOABMesh::library() const
 }
 
 // Sample position within a tet for MOAB type tets
-Position MOABMesh::sample(uint64_t* seed, int32_t tet_bin) const {
+Position MOABMesh::sample(uint64_t* seed, int32_t bin) const {
 
-  moab::EntityHandle tet_ent = get_ent_handle_from_bin(tet_bin);
+  moab::EntityHandle tet_ent = get_ent_handle_from_bin(bin);
 
   // Get vertex coordinates for MOAB tet
   vector<moab::EntityHandle> conn1;
@@ -2103,7 +2103,7 @@ Position MOABMesh::sample(uint64_t* seed, int32_t tet_bin) const {
 
   std::array<Position, 4> tet_verts;
   for (int i = 0; i < 4; i++) {
-    tet_verts[i] =  {p[i][0], p[i][1], p[i][2]};
+    tet_verts[i] = {p[i][0], p[i][1], p[i][2]};
   }
   // Samples position within tet using Barycentric stuff  
   Position r = this->sample_tet(tet_verts, seed);
@@ -2565,8 +2565,8 @@ void LibMesh::initialize()
 }
 
 // Sample position within a tet for LibMesh type tets
-Position LibMesh::sample(uint64_t* seed, int32_t tet_bin) const {
-  const auto& elem = get_element_from_bin(tet_bin);
+Position LibMesh::sample(uint64_t* seed, int32_t bin) const {
+  const auto& elem = get_element_from_bin(bin);
   // Get tet vertex coordinates from LibMesh
   std::array<Position, 4> tet_verts;
   for (int i = 0; i < elem.n_nodes(); i++) {
diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true0.dat b/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true0.dat
index ee30a9dbe..c85bdd920 100644
--- a/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true0.dat
+++ b/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true0.dat
@@ -1,1005 +1,1005 @@
 <?xml version='1.0' encoding='utf-8'?>
 <geometry>
-  <cell id="1" material="3" name="x 0 y 0 z 0" region="1 -4 2 -5 3 -6" universe="1" />
-  <cell id="2" material="3" name="x 1 y 0 z 0" region="4 -7 2 -5 3 -6" universe="1" />
-  <cell id="3" material="3" name="x 2 y 0 z 0" region="7 -10 2 -5 3 -6" universe="1" />
-  <cell id="4" material="3" name="x 3 y 0 z 0" region="10 -13 2 -5 3 -6" universe="1" />
-  <cell id="5" material="3" name="x 4 y 0 z 0" region="13 -16 2 -5 3 -6" universe="1" />
-  <cell id="6" material="3" name="x 5 y 0 z 0" region="16 -19 2 -5 3 -6" universe="1" />
-  <cell id="7" material="3" name="x 6 y 0 z 0" region="19 -22 2 -5 3 -6" universe="1" />
-  <cell id="8" material="3" name="x 7 y 0 z 0" region="22 -25 2 -5 3 -6" universe="1" />
-  <cell id="9" material="3" name="x 8 y 0 z 0" region="25 -28 2 -5 3 -6" universe="1" />
-  <cell id="10" material="3" name="x 9 y 0 z 0" region="28 -31 2 -5 3 -6" universe="1" />
-  <cell id="11" material="3" name="x 0 y 1 z 0" region="1 -4 5 -8 3 -6" universe="1" />
-  <cell id="12" material="3" name="x 1 y 1 z 0" region="4 -7 5 -8 3 -6" universe="1" />
-  <cell id="13" material="3" name="x 2 y 1 z 0" region="7 -10 5 -8 3 -6" universe="1" />
-  <cell id="14" material="3" name="x 3 y 1 z 0" region="10 -13 5 -8 3 -6" universe="1" />
-  <cell id="15" material="3" name="x 4 y 1 z 0" region="13 -16 5 -8 3 -6" universe="1" />
-  <cell id="16" material="3" name="x 5 y 1 z 0" region="16 -19 5 -8 3 -6" universe="1" />
-  <cell id="17" material="3" name="x 6 y 1 z 0" region="19 -22 5 -8 3 -6" universe="1" />
-  <cell id="18" material="3" name="x 7 y 1 z 0" region="22 -25 5 -8 3 -6" universe="1" />
-  <cell id="19" material="3" name="x 8 y 1 z 0" region="25 -28 5 -8 3 -6" universe="1" />
-  <cell id="20" material="3" name="x 9 y 1 z 0" region="28 -31 5 -8 3 -6" universe="1" />
-  <cell id="21" material="3" name="x 0 y 2 z 0" region="1 -4 8 -11 3 -6" universe="1" />
-  <cell id="22" material="3" name="x 1 y 2 z 0" region="4 -7 8 -11 3 -6" universe="1" />
-  <cell id="23" material="3" name="x 2 y 2 z 0" region="7 -10 8 -11 3 -6" universe="1" />
-  <cell id="24" material="3" name="x 3 y 2 z 0" region="10 -13 8 -11 3 -6" universe="1" />
-  <cell id="25" material="3" name="x 4 y 2 z 0" region="13 -16 8 -11 3 -6" universe="1" />
-  <cell id="26" material="3" name="x 5 y 2 z 0" region="16 -19 8 -11 3 -6" universe="1" />
-  <cell id="27" material="3" name="x 6 y 2 z 0" region="19 -22 8 -11 3 -6" universe="1" />
-  <cell id="28" material="3" name="x 7 y 2 z 0" region="22 -25 8 -11 3 -6" universe="1" />
-  <cell id="29" material="3" name="x 8 y 2 z 0" region="25 -28 8 -11 3 -6" universe="1" />
-  <cell id="30" material="3" name="x 9 y 2 z 0" region="28 -31 8 -11 3 -6" universe="1" />
-  <cell id="31" material="3" name="x 0 y 3 z 0" region="1 -4 11 -14 3 -6" universe="1" />
-  <cell id="32" material="3" name="x 1 y 3 z 0" region="4 -7 11 -14 3 -6" universe="1" />
-  <cell id="33" material="3" name="x 2 y 3 z 0" region="7 -10 11 -14 3 -6" universe="1" />
-  <cell id="34" material="3" name="x 3 y 3 z 0" region="10 -13 11 -14 3 -6" universe="1" />
-  <cell id="35" material="3" name="x 4 y 3 z 0" region="13 -16 11 -14 3 -6" universe="1" />
-  <cell id="36" material="3" name="x 5 y 3 z 0" region="16 -19 11 -14 3 -6" universe="1" />
-  <cell id="37" material="3" name="x 6 y 3 z 0" region="19 -22 11 -14 3 -6" universe="1" />
-  <cell id="38" material="3" name="x 7 y 3 z 0" region="22 -25 11 -14 3 -6" universe="1" />
-  <cell id="39" material="3" name="x 8 y 3 z 0" region="25 -28 11 -14 3 -6" universe="1" />
-  <cell id="40" material="3" name="x 9 y 3 z 0" region="28 -31 11 -14 3 -6" universe="1" />
-  <cell id="41" material="3" name="x 0 y 4 z 0" region="1 -4 14 -17 3 -6" universe="1" />
-  <cell id="42" material="3" name="x 1 y 4 z 0" region="4 -7 14 -17 3 -6" universe="1" />
-  <cell id="43" material="3" name="x 2 y 4 z 0" region="7 -10 14 -17 3 -6" universe="1" />
-  <cell id="44" material="3" name="x 3 y 4 z 0" region="10 -13 14 -17 3 -6" universe="1" />
-  <cell id="45" material="3" name="x 4 y 4 z 0" region="13 -16 14 -17 3 -6" universe="1" />
-  <cell id="46" material="3" name="x 5 y 4 z 0" region="16 -19 14 -17 3 -6" universe="1" />
-  <cell id="47" material="3" name="x 6 y 4 z 0" region="19 -22 14 -17 3 -6" universe="1" />
-  <cell id="48" material="3" name="x 7 y 4 z 0" region="22 -25 14 -17 3 -6" universe="1" />
-  <cell id="49" material="3" name="x 8 y 4 z 0" region="25 -28 14 -17 3 -6" universe="1" />
-  <cell id="50" material="3" name="x 9 y 4 z 0" region="28 -31 14 -17 3 -6" universe="1" />
-  <cell id="51" material="3" name="x 0 y 5 z 0" region="1 -4 17 -20 3 -6" universe="1" />
-  <cell id="52" material="3" name="x 1 y 5 z 0" region="4 -7 17 -20 3 -6" universe="1" />
-  <cell id="53" material="3" name="x 2 y 5 z 0" region="7 -10 17 -20 3 -6" universe="1" />
-  <cell id="54" material="3" name="x 3 y 5 z 0" region="10 -13 17 -20 3 -6" universe="1" />
-  <cell id="55" material="3" name="x 4 y 5 z 0" region="13 -16 17 -20 3 -6" universe="1" />
-  <cell id="56" material="3" name="x 5 y 5 z 0" region="16 -19 17 -20 3 -6" universe="1" />
-  <cell id="57" material="3" name="x 6 y 5 z 0" region="19 -22 17 -20 3 -6" universe="1" />
-  <cell id="58" material="3" name="x 7 y 5 z 0" region="22 -25 17 -20 3 -6" universe="1" />
-  <cell id="59" material="3" name="x 8 y 5 z 0" region="25 -28 17 -20 3 -6" universe="1" />
-  <cell id="60" material="3" name="x 9 y 5 z 0" region="28 -31 17 -20 3 -6" universe="1" />
-  <cell id="61" material="3" name="x 0 y 6 z 0" region="1 -4 20 -23 3 -6" universe="1" />
-  <cell id="62" material="3" name="x 1 y 6 z 0" region="4 -7 20 -23 3 -6" universe="1" />
-  <cell id="63" material="3" name="x 2 y 6 z 0" region="7 -10 20 -23 3 -6" universe="1" />
-  <cell id="64" material="3" name="x 3 y 6 z 0" region="10 -13 20 -23 3 -6" universe="1" />
-  <cell id="65" material="3" name="x 4 y 6 z 0" region="13 -16 20 -23 3 -6" universe="1" />
-  <cell id="66" material="3" name="x 5 y 6 z 0" region="16 -19 20 -23 3 -6" universe="1" />
-  <cell id="67" material="3" name="x 6 y 6 z 0" region="19 -22 20 -23 3 -6" universe="1" />
-  <cell id="68" material="3" name="x 7 y 6 z 0" region="22 -25 20 -23 3 -6" universe="1" />
-  <cell id="69" material="3" name="x 8 y 6 z 0" region="25 -28 20 -23 3 -6" universe="1" />
-  <cell id="70" material="3" name="x 9 y 6 z 0" region="28 -31 20 -23 3 -6" universe="1" />
-  <cell id="71" material="3" name="x 0 y 7 z 0" region="1 -4 23 -26 3 -6" universe="1" />
-  <cell id="72" material="3" name="x 1 y 7 z 0" region="4 -7 23 -26 3 -6" universe="1" />
-  <cell id="73" material="3" name="x 2 y 7 z 0" region="7 -10 23 -26 3 -6" universe="1" />
-  <cell id="74" material="3" name="x 3 y 7 z 0" region="10 -13 23 -26 3 -6" universe="1" />
-  <cell id="75" material="3" name="x 4 y 7 z 0" region="13 -16 23 -26 3 -6" universe="1" />
-  <cell id="76" material="3" name="x 5 y 7 z 0" region="16 -19 23 -26 3 -6" universe="1" />
-  <cell id="77" material="3" name="x 6 y 7 z 0" region="19 -22 23 -26 3 -6" universe="1" />
-  <cell id="78" material="3" name="x 7 y 7 z 0" region="22 -25 23 -26 3 -6" universe="1" />
-  <cell id="79" material="3" name="x 8 y 7 z 0" region="25 -28 23 -26 3 -6" universe="1" />
-  <cell id="80" material="3" name="x 9 y 7 z 0" region="28 -31 23 -26 3 -6" universe="1" />
-  <cell id="81" material="3" name="x 0 y 8 z 0" region="1 -4 26 -29 3 -6" universe="1" />
-  <cell id="82" material="3" name="x 1 y 8 z 0" region="4 -7 26 -29 3 -6" universe="1" />
-  <cell id="83" material="3" name="x 2 y 8 z 0" region="7 -10 26 -29 3 -6" universe="1" />
-  <cell id="84" material="3" name="x 3 y 8 z 0" region="10 -13 26 -29 3 -6" universe="1" />
-  <cell id="85" material="3" name="x 4 y 8 z 0" region="13 -16 26 -29 3 -6" universe="1" />
-  <cell id="86" material="3" name="x 5 y 8 z 0" region="16 -19 26 -29 3 -6" universe="1" />
-  <cell id="87" material="3" name="x 6 y 8 z 0" region="19 -22 26 -29 3 -6" universe="1" />
-  <cell id="88" material="3" name="x 7 y 8 z 0" region="22 -25 26 -29 3 -6" universe="1" />
-  <cell id="89" material="3" name="x 8 y 8 z 0" region="25 -28 26 -29 3 -6" universe="1" />
-  <cell id="90" material="3" name="x 9 y 8 z 0" region="28 -31 26 -29 3 -6" universe="1" />
-  <cell id="91" material="3" name="x 0 y 9 z 0" region="1 -4 29 -32 3 -6" universe="1" />
-  <cell id="92" material="3" name="x 1 y 9 z 0" region="4 -7 29 -32 3 -6" universe="1" />
-  <cell id="93" material="3" name="x 2 y 9 z 0" region="7 -10 29 -32 3 -6" universe="1" />
-  <cell id="94" material="3" name="x 3 y 9 z 0" region="10 -13 29 -32 3 -6" universe="1" />
-  <cell id="95" material="3" name="x 4 y 9 z 0" region="13 -16 29 -32 3 -6" universe="1" />
-  <cell id="96" material="3" name="x 5 y 9 z 0" region="16 -19 29 -32 3 -6" universe="1" />
-  <cell id="97" material="3" name="x 6 y 9 z 0" region="19 -22 29 -32 3 -6" universe="1" />
-  <cell id="98" material="3" name="x 7 y 9 z 0" region="22 -25 29 -32 3 -6" universe="1" />
-  <cell id="99" material="3" name="x 8 y 9 z 0" region="25 -28 29 -32 3 -6" universe="1" />
-  <cell id="100" material="3" name="x 9 y 9 z 0" region="28 -31 29 -32 3 -6" universe="1" />
-  <cell id="101" material="3" name="x 0 y 0 z 1" region="1 -4 2 -5 6 -9" universe="1" />
-  <cell id="102" material="3" name="x 1 y 0 z 1" region="4 -7 2 -5 6 -9" universe="1" />
-  <cell id="103" material="3" name="x 2 y 0 z 1" region="7 -10 2 -5 6 -9" universe="1" />
-  <cell id="104" material="3" name="x 3 y 0 z 1" region="10 -13 2 -5 6 -9" universe="1" />
-  <cell id="105" material="3" name="x 4 y 0 z 1" region="13 -16 2 -5 6 -9" universe="1" />
-  <cell id="106" material="3" name="x 5 y 0 z 1" region="16 -19 2 -5 6 -9" universe="1" />
-  <cell id="107" material="3" name="x 6 y 0 z 1" region="19 -22 2 -5 6 -9" universe="1" />
-  <cell id="108" material="3" name="x 7 y 0 z 1" region="22 -25 2 -5 6 -9" universe="1" />
-  <cell id="109" material="3" name="x 8 y 0 z 1" region="25 -28 2 -5 6 -9" universe="1" />
-  <cell id="110" material="3" name="x 9 y 0 z 1" region="28 -31 2 -5 6 -9" universe="1" />
-  <cell id="111" material="3" name="x 0 y 1 z 1" region="1 -4 5 -8 6 -9" universe="1" />
-  <cell id="112" material="3" name="x 1 y 1 z 1" region="4 -7 5 -8 6 -9" universe="1" />
-  <cell id="113" material="3" name="x 2 y 1 z 1" region="7 -10 5 -8 6 -9" universe="1" />
-  <cell id="114" material="3" name="x 3 y 1 z 1" region="10 -13 5 -8 6 -9" universe="1" />
-  <cell id="115" material="3" name="x 4 y 1 z 1" region="13 -16 5 -8 6 -9" universe="1" />
-  <cell id="116" material="3" name="x 5 y 1 z 1" region="16 -19 5 -8 6 -9" universe="1" />
-  <cell id="117" material="3" name="x 6 y 1 z 1" region="19 -22 5 -8 6 -9" universe="1" />
-  <cell id="118" material="3" name="x 7 y 1 z 1" region="22 -25 5 -8 6 -9" universe="1" />
-  <cell id="119" material="3" name="x 8 y 1 z 1" region="25 -28 5 -8 6 -9" universe="1" />
-  <cell id="120" material="3" name="x 9 y 1 z 1" region="28 -31 5 -8 6 -9" universe="1" />
-  <cell id="121" material="3" name="x 0 y 2 z 1" region="1 -4 8 -11 6 -9" universe="1" />
-  <cell id="122" material="3" name="x 1 y 2 z 1" region="4 -7 8 -11 6 -9" universe="1" />
-  <cell id="123" material="3" name="x 2 y 2 z 1" region="7 -10 8 -11 6 -9" universe="1" />
-  <cell id="124" material="3" name="x 3 y 2 z 1" region="10 -13 8 -11 6 -9" universe="1" />
-  <cell id="125" material="3" name="x 4 y 2 z 1" region="13 -16 8 -11 6 -9" universe="1" />
-  <cell id="126" material="3" name="x 5 y 2 z 1" region="16 -19 8 -11 6 -9" universe="1" />
-  <cell id="127" material="3" name="x 6 y 2 z 1" region="19 -22 8 -11 6 -9" universe="1" />
-  <cell id="128" material="3" name="x 7 y 2 z 1" region="22 -25 8 -11 6 -9" universe="1" />
-  <cell id="129" material="3" name="x 8 y 2 z 1" region="25 -28 8 -11 6 -9" universe="1" />
-  <cell id="130" material="3" name="x 9 y 2 z 1" region="28 -31 8 -11 6 -9" universe="1" />
-  <cell id="131" material="3" name="x 0 y 3 z 1" region="1 -4 11 -14 6 -9" universe="1" />
-  <cell id="132" material="3" name="x 1 y 3 z 1" region="4 -7 11 -14 6 -9" universe="1" />
-  <cell id="133" material="3" name="x 2 y 3 z 1" region="7 -10 11 -14 6 -9" universe="1" />
-  <cell id="134" material="3" name="x 3 y 3 z 1" region="10 -13 11 -14 6 -9" universe="1" />
-  <cell id="135" material="3" name="x 4 y 3 z 1" region="13 -16 11 -14 6 -9" universe="1" />
-  <cell id="136" material="3" name="x 5 y 3 z 1" region="16 -19 11 -14 6 -9" universe="1" />
-  <cell id="137" material="3" name="x 6 y 3 z 1" region="19 -22 11 -14 6 -9" universe="1" />
-  <cell id="138" material="3" name="x 7 y 3 z 1" region="22 -25 11 -14 6 -9" universe="1" />
-  <cell id="139" material="3" name="x 8 y 3 z 1" region="25 -28 11 -14 6 -9" universe="1" />
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+  <cell id="135" material="void" name="x = 4, y = 3, z = 1" region="13 -16 11 -14 6 -9" universe="1" />
+  <cell id="136" material="void" name="x = 5, y = 3, z = 1" region="16 -19 11 -14 6 -9" universe="1" />
+  <cell id="137" material="void" name="x = 6, y = 3, z = 1" region="19 -22 11 -14 6 -9" universe="1" />
+  <cell id="138" material="void" name="x = 7, y = 3, z = 1" region="22 -25 11 -14 6 -9" universe="1" />
+  <cell id="139" material="void" name="x = 8, y = 3, z = 1" region="25 -28 11 -14 6 -9" universe="1" />
+  <cell id="140" material="void" name="x = 9, y = 3, z = 1" region="28 -31 11 -14 6 -9" universe="1" />
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+  <cell id="143" material="void" name="x = 2, y = 4, z = 1" region="7 -10 14 -17 6 -9" universe="1" />
+  <cell id="144" material="void" name="x = 3, y = 4, z = 1" region="10 -13 14 -17 6 -9" universe="1" />
+  <cell id="145" material="void" name="x = 4, y = 4, z = 1" region="13 -16 14 -17 6 -9" universe="1" />
+  <cell id="146" material="void" name="x = 5, y = 4, z = 1" region="16 -19 14 -17 6 -9" universe="1" />
+  <cell id="147" material="void" name="x = 6, y = 4, z = 1" region="19 -22 14 -17 6 -9" universe="1" />
+  <cell id="148" material="void" name="x = 7, y = 4, z = 1" region="22 -25 14 -17 6 -9" universe="1" />
+  <cell id="149" material="void" name="x = 8, y = 4, z = 1" region="25 -28 14 -17 6 -9" universe="1" />
+  <cell id="150" material="void" name="x = 9, y = 4, z = 1" region="28 -31 14 -17 6 -9" universe="1" />
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+  <cell id="155" material="void" name="x = 4, y = 5, z = 1" region="13 -16 17 -20 6 -9" universe="1" />
+  <cell id="156" material="void" name="x = 5, y = 5, z = 1" region="16 -19 17 -20 6 -9" universe="1" />
+  <cell id="157" material="void" name="x = 6, y = 5, z = 1" region="19 -22 17 -20 6 -9" universe="1" />
+  <cell id="158" material="void" name="x = 7, y = 5, z = 1" region="22 -25 17 -20 6 -9" universe="1" />
+  <cell id="159" material="void" name="x = 8, y = 5, z = 1" region="25 -28 17 -20 6 -9" universe="1" />
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+  <cell id="164" material="void" name="x = 3, y = 6, z = 1" region="10 -13 20 -23 6 -9" universe="1" />
+  <cell id="165" material="void" name="x = 4, y = 6, z = 1" region="13 -16 20 -23 6 -9" universe="1" />
+  <cell id="166" material="void" name="x = 5, y = 6, z = 1" region="16 -19 20 -23 6 -9" universe="1" />
+  <cell id="167" material="void" name="x = 6, y = 6, z = 1" region="19 -22 20 -23 6 -9" universe="1" />
+  <cell id="168" material="void" name="x = 7, y = 6, z = 1" region="22 -25 20 -23 6 -9" universe="1" />
+  <cell id="169" material="void" name="x = 8, y = 6, z = 1" region="25 -28 20 -23 6 -9" universe="1" />
+  <cell id="170" material="void" name="x = 9, y = 6, z = 1" region="28 -31 20 -23 6 -9" universe="1" />
+  <cell id="171" material="void" name="x = 0, y = 7, z = 1" region="1 -4 23 -26 6 -9" universe="1" />
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+  <cell id="175" material="void" name="x = 4, y = 7, z = 1" region="13 -16 23 -26 6 -9" universe="1" />
+  <cell id="176" material="void" name="x = 5, y = 7, z = 1" region="16 -19 23 -26 6 -9" universe="1" />
+  <cell id="177" material="void" name="x = 6, y = 7, z = 1" region="19 -22 23 -26 6 -9" universe="1" />
+  <cell id="178" material="void" name="x = 7, y = 7, z = 1" region="22 -25 23 -26 6 -9" universe="1" />
+  <cell id="179" material="void" name="x = 8, y = 7, z = 1" region="25 -28 23 -26 6 -9" universe="1" />
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+  <cell id="181" material="void" name="x = 0, y = 8, z = 1" region="1 -4 26 -29 6 -9" universe="1" />
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+  <cell id="183" material="void" name="x = 2, y = 8, z = 1" region="7 -10 26 -29 6 -9" universe="1" />
+  <cell id="184" material="void" name="x = 3, y = 8, z = 1" region="10 -13 26 -29 6 -9" universe="1" />
+  <cell id="185" material="void" name="x = 4, y = 8, z = 1" region="13 -16 26 -29 6 -9" universe="1" />
+  <cell id="186" material="void" name="x = 5, y = 8, z = 1" region="16 -19 26 -29 6 -9" universe="1" />
+  <cell id="187" material="void" name="x = 6, y = 8, z = 1" region="19 -22 26 -29 6 -9" universe="1" />
+  <cell id="188" material="void" name="x = 7, y = 8, z = 1" region="22 -25 26 -29 6 -9" universe="1" />
+  <cell id="189" material="void" name="x = 8, y = 8, z = 1" region="25 -28 26 -29 6 -9" universe="1" />
+  <cell id="190" material="void" name="x = 9, y = 8, z = 1" region="28 -31 26 -29 6 -9" universe="1" />
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+  <cell id="193" material="void" name="x = 2, y = 9, z = 1" region="7 -10 29 -32 6 -9" universe="1" />
+  <cell id="194" material="void" name="x = 3, y = 9, z = 1" region="10 -13 29 -32 6 -9" universe="1" />
+  <cell id="195" material="void" name="x = 4, y = 9, z = 1" region="13 -16 29 -32 6 -9" universe="1" />
+  <cell id="196" material="void" name="x = 5, y = 9, z = 1" region="16 -19 29 -32 6 -9" universe="1" />
+  <cell id="197" material="void" name="x = 6, y = 9, z = 1" region="19 -22 29 -32 6 -9" universe="1" />
+  <cell id="198" material="void" name="x = 7, y = 9, z = 1" region="22 -25 29 -32 6 -9" universe="1" />
+  <cell id="199" material="void" name="x = 8, y = 9, z = 1" region="25 -28 29 -32 6 -9" universe="1" />
+  <cell id="200" material="void" name="x = 9, y = 9, z = 1" region="28 -31 29 -32 6 -9" universe="1" />
+  <cell id="201" material="void" name="x = 0, y = 0, z = 2" region="1 -4 2 -5 9 -12" universe="1" />
+  <cell id="202" material="void" name="x = 1, y = 0, z = 2" region="4 -7 2 -5 9 -12" universe="1" />
+  <cell id="203" material="void" name="x = 2, y = 0, z = 2" region="7 -10 2 -5 9 -12" universe="1" />
+  <cell id="204" material="void" name="x = 3, y = 0, z = 2" region="10 -13 2 -5 9 -12" universe="1" />
+  <cell id="205" material="void" name="x = 4, y = 0, z = 2" region="13 -16 2 -5 9 -12" universe="1" />
+  <cell id="206" material="void" name="x = 5, y = 0, z = 2" region="16 -19 2 -5 9 -12" universe="1" />
+  <cell id="207" material="void" name="x = 6, y = 0, z = 2" region="19 -22 2 -5 9 -12" universe="1" />
+  <cell id="208" material="void" name="x = 7, y = 0, z = 2" region="22 -25 2 -5 9 -12" universe="1" />
+  <cell id="209" material="void" name="x = 8, y = 0, z = 2" region="25 -28 2 -5 9 -12" universe="1" />
+  <cell id="210" material="void" name="x = 9, y = 0, z = 2" region="28 -31 2 -5 9 -12" universe="1" />
+  <cell id="211" material="void" name="x = 0, y = 1, z = 2" region="1 -4 5 -8 9 -12" universe="1" />
+  <cell id="212" material="void" name="x = 1, y = 1, z = 2" region="4 -7 5 -8 9 -12" universe="1" />
+  <cell id="213" material="void" name="x = 2, y = 1, z = 2" region="7 -10 5 -8 9 -12" universe="1" />
+  <cell id="214" material="void" name="x = 3, y = 1, z = 2" region="10 -13 5 -8 9 -12" universe="1" />
+  <cell id="215" material="void" name="x = 4, y = 1, z = 2" region="13 -16 5 -8 9 -12" universe="1" />
+  <cell id="216" material="void" name="x = 5, y = 1, z = 2" region="16 -19 5 -8 9 -12" universe="1" />
+  <cell id="217" material="void" name="x = 6, y = 1, z = 2" region="19 -22 5 -8 9 -12" universe="1" />
+  <cell id="218" material="void" name="x = 7, y = 1, z = 2" region="22 -25 5 -8 9 -12" universe="1" />
+  <cell id="219" material="void" name="x = 8, y = 1, z = 2" region="25 -28 5 -8 9 -12" universe="1" />
+  <cell id="220" material="void" name="x = 9, y = 1, z = 2" region="28 -31 5 -8 9 -12" universe="1" />
+  <cell id="221" material="void" name="x = 0, y = 2, z = 2" region="1 -4 8 -11 9 -12" universe="1" />
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+  <cell id="223" material="void" name="x = 2, y = 2, z = 2" region="7 -10 8 -11 9 -12" universe="1" />
+  <cell id="224" material="void" name="x = 3, y = 2, z = 2" region="10 -13 8 -11 9 -12" universe="1" />
+  <cell id="225" material="void" name="x = 4, y = 2, z = 2" region="13 -16 8 -11 9 -12" universe="1" />
+  <cell id="226" material="void" name="x = 5, y = 2, z = 2" region="16 -19 8 -11 9 -12" universe="1" />
+  <cell id="227" material="void" name="x = 6, y = 2, z = 2" region="19 -22 8 -11 9 -12" universe="1" />
+  <cell id="228" material="void" name="x = 7, y = 2, z = 2" region="22 -25 8 -11 9 -12" universe="1" />
+  <cell id="229" material="void" name="x = 8, y = 2, z = 2" region="25 -28 8 -11 9 -12" universe="1" />
+  <cell id="230" material="void" name="x = 9, y = 2, z = 2" region="28 -31 8 -11 9 -12" universe="1" />
+  <cell id="231" material="void" name="x = 0, y = 3, z = 2" region="1 -4 11 -14 9 -12" universe="1" />
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+  <cell id="233" material="void" name="x = 2, y = 3, z = 2" region="7 -10 11 -14 9 -12" universe="1" />
+  <cell id="234" material="void" name="x = 3, y = 3, z = 2" region="10 -13 11 -14 9 -12" universe="1" />
+  <cell id="235" material="void" name="x = 4, y = 3, z = 2" region="13 -16 11 -14 9 -12" universe="1" />
+  <cell id="236" material="void" name="x = 5, y = 3, z = 2" region="16 -19 11 -14 9 -12" universe="1" />
+  <cell id="237" material="void" name="x = 6, y = 3, z = 2" region="19 -22 11 -14 9 -12" universe="1" />
+  <cell id="238" material="void" name="x = 7, y = 3, z = 2" region="22 -25 11 -14 9 -12" universe="1" />
+  <cell id="239" material="void" name="x = 8, y = 3, z = 2" region="25 -28 11 -14 9 -12" universe="1" />
+  <cell id="240" material="void" name="x = 9, y = 3, z = 2" region="28 -31 11 -14 9 -12" universe="1" />
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+  <cell id="244" material="void" name="x = 3, y = 4, z = 2" region="10 -13 14 -17 9 -12" universe="1" />
+  <cell id="245" material="void" name="x = 4, y = 4, z = 2" region="13 -16 14 -17 9 -12" universe="1" />
+  <cell id="246" material="void" name="x = 5, y = 4, z = 2" region="16 -19 14 -17 9 -12" universe="1" />
+  <cell id="247" material="void" name="x = 6, y = 4, z = 2" region="19 -22 14 -17 9 -12" universe="1" />
+  <cell id="248" material="void" name="x = 7, y = 4, z = 2" region="22 -25 14 -17 9 -12" universe="1" />
+  <cell id="249" material="void" name="x = 8, y = 4, z = 2" region="25 -28 14 -17 9 -12" universe="1" />
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+  <cell id="253" material="void" name="x = 2, y = 5, z = 2" region="7 -10 17 -20 9 -12" universe="1" />
+  <cell id="254" material="void" name="x = 3, y = 5, z = 2" region="10 -13 17 -20 9 -12" universe="1" />
+  <cell id="255" material="void" name="x = 4, y = 5, z = 2" region="13 -16 17 -20 9 -12" universe="1" />
+  <cell id="256" material="void" name="x = 5, y = 5, z = 2" region="16 -19 17 -20 9 -12" universe="1" />
+  <cell id="257" material="void" name="x = 6, y = 5, z = 2" region="19 -22 17 -20 9 -12" universe="1" />
+  <cell id="258" material="void" name="x = 7, y = 5, z = 2" region="22 -25 17 -20 9 -12" universe="1" />
+  <cell id="259" material="void" name="x = 8, y = 5, z = 2" region="25 -28 17 -20 9 -12" universe="1" />
+  <cell id="260" material="void" name="x = 9, y = 5, z = 2" region="28 -31 17 -20 9 -12" universe="1" />
+  <cell id="261" material="void" name="x = 0, y = 6, z = 2" region="1 -4 20 -23 9 -12" universe="1" />
+  <cell id="262" material="void" name="x = 1, y = 6, z = 2" region="4 -7 20 -23 9 -12" universe="1" />
+  <cell id="263" material="void" name="x = 2, y = 6, z = 2" region="7 -10 20 -23 9 -12" universe="1" />
+  <cell id="264" material="void" name="x = 3, y = 6, z = 2" region="10 -13 20 -23 9 -12" universe="1" />
+  <cell id="265" material="void" name="x = 4, y = 6, z = 2" region="13 -16 20 -23 9 -12" universe="1" />
+  <cell id="266" material="void" name="x = 5, y = 6, z = 2" region="16 -19 20 -23 9 -12" universe="1" />
+  <cell id="267" material="void" name="x = 6, y = 6, z = 2" region="19 -22 20 -23 9 -12" universe="1" />
+  <cell id="268" material="void" name="x = 7, y = 6, z = 2" region="22 -25 20 -23 9 -12" universe="1" />
+  <cell id="269" material="void" name="x = 8, y = 6, z = 2" region="25 -28 20 -23 9 -12" universe="1" />
+  <cell id="270" material="void" name="x = 9, y = 6, z = 2" region="28 -31 20 -23 9 -12" universe="1" />
+  <cell id="271" material="void" name="x = 0, y = 7, z = 2" region="1 -4 23 -26 9 -12" universe="1" />
+  <cell id="272" material="void" name="x = 1, y = 7, z = 2" region="4 -7 23 -26 9 -12" universe="1" />
+  <cell id="273" material="void" name="x = 2, y = 7, z = 2" region="7 -10 23 -26 9 -12" universe="1" />
+  <cell id="274" material="void" name="x = 3, y = 7, z = 2" region="10 -13 23 -26 9 -12" universe="1" />
+  <cell id="275" material="void" name="x = 4, y = 7, z = 2" region="13 -16 23 -26 9 -12" universe="1" />
+  <cell id="276" material="void" name="x = 5, y = 7, z = 2" region="16 -19 23 -26 9 -12" universe="1" />
+  <cell id="277" material="void" name="x = 6, y = 7, z = 2" region="19 -22 23 -26 9 -12" universe="1" />
+  <cell id="278" material="void" name="x = 7, y = 7, z = 2" region="22 -25 23 -26 9 -12" universe="1" />
+  <cell id="279" material="void" name="x = 8, y = 7, z = 2" region="25 -28 23 -26 9 -12" universe="1" />
+  <cell id="280" material="void" name="x = 9, y = 7, z = 2" region="28 -31 23 -26 9 -12" universe="1" />
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+  <cell id="282" material="void" name="x = 1, y = 8, z = 2" region="4 -7 26 -29 9 -12" universe="1" />
+  <cell id="283" material="void" name="x = 2, y = 8, z = 2" region="7 -10 26 -29 9 -12" universe="1" />
+  <cell id="284" material="void" name="x = 3, y = 8, z = 2" region="10 -13 26 -29 9 -12" universe="1" />
+  <cell id="285" material="void" name="x = 4, y = 8, z = 2" region="13 -16 26 -29 9 -12" universe="1" />
+  <cell id="286" material="void" name="x = 5, y = 8, z = 2" region="16 -19 26 -29 9 -12" universe="1" />
+  <cell id="287" material="void" name="x = 6, y = 8, z = 2" region="19 -22 26 -29 9 -12" universe="1" />
+  <cell id="288" material="void" name="x = 7, y = 8, z = 2" region="22 -25 26 -29 9 -12" universe="1" />
+  <cell id="289" material="void" name="x = 8, y = 8, z = 2" region="25 -28 26 -29 9 -12" universe="1" />
+  <cell id="290" material="void" name="x = 9, y = 8, z = 2" region="28 -31 26 -29 9 -12" universe="1" />
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+  <cell id="292" material="void" name="x = 1, y = 9, z = 2" region="4 -7 29 -32 9 -12" universe="1" />
+  <cell id="293" material="void" name="x = 2, y = 9, z = 2" region="7 -10 29 -32 9 -12" universe="1" />
+  <cell id="294" material="void" name="x = 3, y = 9, z = 2" region="10 -13 29 -32 9 -12" universe="1" />
+  <cell id="295" material="void" name="x = 4, y = 9, z = 2" region="13 -16 29 -32 9 -12" universe="1" />
+  <cell id="296" material="void" name="x = 5, y = 9, z = 2" region="16 -19 29 -32 9 -12" universe="1" />
+  <cell id="297" material="void" name="x = 6, y = 9, z = 2" region="19 -22 29 -32 9 -12" universe="1" />
+  <cell id="298" material="void" name="x = 7, y = 9, z = 2" region="22 -25 29 -32 9 -12" universe="1" />
+  <cell id="299" material="void" name="x = 8, y = 9, z = 2" region="25 -28 29 -32 9 -12" universe="1" />
+  <cell id="300" material="void" name="x = 9, y = 9, z = 2" region="28 -31 29 -32 9 -12" universe="1" />
+  <cell id="301" material="void" name="x = 0, y = 0, z = 3" region="1 -4 2 -5 12 -15" universe="1" />
+  <cell id="302" material="void" name="x = 1, y = 0, z = 3" region="4 -7 2 -5 12 -15" universe="1" />
+  <cell id="303" material="void" name="x = 2, y = 0, z = 3" region="7 -10 2 -5 12 -15" universe="1" />
+  <cell id="304" material="void" name="x = 3, y = 0, z = 3" region="10 -13 2 -5 12 -15" universe="1" />
+  <cell id="305" material="void" name="x = 4, y = 0, z = 3" region="13 -16 2 -5 12 -15" universe="1" />
+  <cell id="306" material="void" name="x = 5, y = 0, z = 3" region="16 -19 2 -5 12 -15" universe="1" />
+  <cell id="307" material="void" name="x = 6, y = 0, z = 3" region="19 -22 2 -5 12 -15" universe="1" />
+  <cell id="308" material="void" name="x = 7, y = 0, z = 3" region="22 -25 2 -5 12 -15" universe="1" />
+  <cell id="309" material="void" name="x = 8, y = 0, z = 3" region="25 -28 2 -5 12 -15" universe="1" />
+  <cell id="310" material="void" name="x = 9, y = 0, z = 3" region="28 -31 2 -5 12 -15" universe="1" />
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+  <cell id="848" material="void" name="x = 7, y = 4, z = 8" region="22 -25 14 -17 27 -30" universe="1" />
+  <cell id="849" material="void" name="x = 8, y = 4, z = 8" region="25 -28 14 -17 27 -30" universe="1" />
+  <cell id="850" material="void" name="x = 9, y = 4, z = 8" region="28 -31 14 -17 27 -30" universe="1" />
+  <cell id="851" material="void" name="x = 0, y = 5, z = 8" region="1 -4 17 -20 27 -30" universe="1" />
+  <cell id="852" material="void" name="x = 1, y = 5, z = 8" region="4 -7 17 -20 27 -30" universe="1" />
+  <cell id="853" material="void" name="x = 2, y = 5, z = 8" region="7 -10 17 -20 27 -30" universe="1" />
+  <cell id="854" material="void" name="x = 3, y = 5, z = 8" region="10 -13 17 -20 27 -30" universe="1" />
+  <cell id="855" material="void" name="x = 4, y = 5, z = 8" region="13 -16 17 -20 27 -30" universe="1" />
+  <cell id="856" material="void" name="x = 5, y = 5, z = 8" region="16 -19 17 -20 27 -30" universe="1" />
+  <cell id="857" material="void" name="x = 6, y = 5, z = 8" region="19 -22 17 -20 27 -30" universe="1" />
+  <cell id="858" material="void" name="x = 7, y = 5, z = 8" region="22 -25 17 -20 27 -30" universe="1" />
+  <cell id="859" material="void" name="x = 8, y = 5, z = 8" region="25 -28 17 -20 27 -30" universe="1" />
+  <cell id="860" material="void" name="x = 9, y = 5, z = 8" region="28 -31 17 -20 27 -30" universe="1" />
+  <cell id="861" material="void" name="x = 0, y = 6, z = 8" region="1 -4 20 -23 27 -30" universe="1" />
+  <cell id="862" material="void" name="x = 1, y = 6, z = 8" region="4 -7 20 -23 27 -30" universe="1" />
+  <cell id="863" material="void" name="x = 2, y = 6, z = 8" region="7 -10 20 -23 27 -30" universe="1" />
+  <cell id="864" material="void" name="x = 3, y = 6, z = 8" region="10 -13 20 -23 27 -30" universe="1" />
+  <cell id="865" material="void" name="x = 4, y = 6, z = 8" region="13 -16 20 -23 27 -30" universe="1" />
+  <cell id="866" material="void" name="x = 5, y = 6, z = 8" region="16 -19 20 -23 27 -30" universe="1" />
+  <cell id="867" material="void" name="x = 6, y = 6, z = 8" region="19 -22 20 -23 27 -30" universe="1" />
+  <cell id="868" material="void" name="x = 7, y = 6, z = 8" region="22 -25 20 -23 27 -30" universe="1" />
+  <cell id="869" material="void" name="x = 8, y = 6, z = 8" region="25 -28 20 -23 27 -30" universe="1" />
+  <cell id="870" material="void" name="x = 9, y = 6, z = 8" region="28 -31 20 -23 27 -30" universe="1" />
+  <cell id="871" material="void" name="x = 0, y = 7, z = 8" region="1 -4 23 -26 27 -30" universe="1" />
+  <cell id="872" material="void" name="x = 1, y = 7, z = 8" region="4 -7 23 -26 27 -30" universe="1" />
+  <cell id="873" material="void" name="x = 2, y = 7, z = 8" region="7 -10 23 -26 27 -30" universe="1" />
+  <cell id="874" material="void" name="x = 3, y = 7, z = 8" region="10 -13 23 -26 27 -30" universe="1" />
+  <cell id="875" material="void" name="x = 4, y = 7, z = 8" region="13 -16 23 -26 27 -30" universe="1" />
+  <cell id="876" material="void" name="x = 5, y = 7, z = 8" region="16 -19 23 -26 27 -30" universe="1" />
+  <cell id="877" material="void" name="x = 6, y = 7, z = 8" region="19 -22 23 -26 27 -30" universe="1" />
+  <cell id="878" material="void" name="x = 7, y = 7, z = 8" region="22 -25 23 -26 27 -30" universe="1" />
+  <cell id="879" material="void" name="x = 8, y = 7, z = 8" region="25 -28 23 -26 27 -30" universe="1" />
+  <cell id="880" material="void" name="x = 9, y = 7, z = 8" region="28 -31 23 -26 27 -30" universe="1" />
+  <cell id="881" material="void" name="x = 0, y = 8, z = 8" region="1 -4 26 -29 27 -30" universe="1" />
+  <cell id="882" material="void" name="x = 1, y = 8, z = 8" region="4 -7 26 -29 27 -30" universe="1" />
+  <cell id="883" material="void" name="x = 2, y = 8, z = 8" region="7 -10 26 -29 27 -30" universe="1" />
+  <cell id="884" material="void" name="x = 3, y = 8, z = 8" region="10 -13 26 -29 27 -30" universe="1" />
+  <cell id="885" material="void" name="x = 4, y = 8, z = 8" region="13 -16 26 -29 27 -30" universe="1" />
+  <cell id="886" material="void" name="x = 5, y = 8, z = 8" region="16 -19 26 -29 27 -30" universe="1" />
+  <cell id="887" material="void" name="x = 6, y = 8, z = 8" region="19 -22 26 -29 27 -30" universe="1" />
+  <cell id="888" material="void" name="x = 7, y = 8, z = 8" region="22 -25 26 -29 27 -30" universe="1" />
+  <cell id="889" material="void" name="x = 8, y = 8, z = 8" region="25 -28 26 -29 27 -30" universe="1" />
+  <cell id="890" material="void" name="x = 9, y = 8, z = 8" region="28 -31 26 -29 27 -30" universe="1" />
+  <cell id="891" material="void" name="x = 0, y = 9, z = 8" region="1 -4 29 -32 27 -30" universe="1" />
+  <cell id="892" material="void" name="x = 1, y = 9, z = 8" region="4 -7 29 -32 27 -30" universe="1" />
+  <cell id="893" material="void" name="x = 2, y = 9, z = 8" region="7 -10 29 -32 27 -30" universe="1" />
+  <cell id="894" material="void" name="x = 3, y = 9, z = 8" region="10 -13 29 -32 27 -30" universe="1" />
+  <cell id="895" material="void" name="x = 4, y = 9, z = 8" region="13 -16 29 -32 27 -30" universe="1" />
+  <cell id="896" material="void" name="x = 5, y = 9, z = 8" region="16 -19 29 -32 27 -30" universe="1" />
+  <cell id="897" material="void" name="x = 6, y = 9, z = 8" region="19 -22 29 -32 27 -30" universe="1" />
+  <cell id="898" material="void" name="x = 7, y = 9, z = 8" region="22 -25 29 -32 27 -30" universe="1" />
+  <cell id="899" material="void" name="x = 8, y = 9, z = 8" region="25 -28 29 -32 27 -30" universe="1" />
+  <cell id="900" material="void" name="x = 9, y = 9, z = 8" region="28 -31 29 -32 27 -30" universe="1" />
+  <cell id="901" material="void" name="x = 0, y = 0, z = 9" region="1 -4 2 -5 30 -33" universe="1" />
+  <cell id="902" material="void" name="x = 1, y = 0, z = 9" region="4 -7 2 -5 30 -33" universe="1" />
+  <cell id="903" material="void" name="x = 2, y = 0, z = 9" region="7 -10 2 -5 30 -33" universe="1" />
+  <cell id="904" material="void" name="x = 3, y = 0, z = 9" region="10 -13 2 -5 30 -33" universe="1" />
+  <cell id="905" material="void" name="x = 4, y = 0, z = 9" region="13 -16 2 -5 30 -33" universe="1" />
+  <cell id="906" material="void" name="x = 5, y = 0, z = 9" region="16 -19 2 -5 30 -33" universe="1" />
+  <cell id="907" material="void" name="x = 6, y = 0, z = 9" region="19 -22 2 -5 30 -33" universe="1" />
+  <cell id="908" material="void" name="x = 7, y = 0, z = 9" region="22 -25 2 -5 30 -33" universe="1" />
+  <cell id="909" material="void" name="x = 8, y = 0, z = 9" region="25 -28 2 -5 30 -33" universe="1" />
+  <cell id="910" material="void" name="x = 9, y = 0, z = 9" region="28 -31 2 -5 30 -33" universe="1" />
+  <cell id="911" material="void" name="x = 0, y = 1, z = 9" region="1 -4 5 -8 30 -33" universe="1" />
+  <cell id="912" material="void" name="x = 1, y = 1, z = 9" region="4 -7 5 -8 30 -33" universe="1" />
+  <cell id="913" material="void" name="x = 2, y = 1, z = 9" region="7 -10 5 -8 30 -33" universe="1" />
+  <cell id="914" material="void" name="x = 3, y = 1, z = 9" region="10 -13 5 -8 30 -33" universe="1" />
+  <cell id="915" material="void" name="x = 4, y = 1, z = 9" region="13 -16 5 -8 30 -33" universe="1" />
+  <cell id="916" material="void" name="x = 5, y = 1, z = 9" region="16 -19 5 -8 30 -33" universe="1" />
+  <cell id="917" material="void" name="x = 6, y = 1, z = 9" region="19 -22 5 -8 30 -33" universe="1" />
+  <cell id="918" material="void" name="x = 7, y = 1, z = 9" region="22 -25 5 -8 30 -33" universe="1" />
+  <cell id="919" material="void" name="x = 8, y = 1, z = 9" region="25 -28 5 -8 30 -33" universe="1" />
+  <cell id="920" material="void" name="x = 9, y = 1, z = 9" region="28 -31 5 -8 30 -33" universe="1" />
+  <cell id="921" material="void" name="x = 0, y = 2, z = 9" region="1 -4 8 -11 30 -33" universe="1" />
+  <cell id="922" material="void" name="x = 1, y = 2, z = 9" region="4 -7 8 -11 30 -33" universe="1" />
+  <cell id="923" material="void" name="x = 2, y = 2, z = 9" region="7 -10 8 -11 30 -33" universe="1" />
+  <cell id="924" material="void" name="x = 3, y = 2, z = 9" region="10 -13 8 -11 30 -33" universe="1" />
+  <cell id="925" material="void" name="x = 4, y = 2, z = 9" region="13 -16 8 -11 30 -33" universe="1" />
+  <cell id="926" material="void" name="x = 5, y = 2, z = 9" region="16 -19 8 -11 30 -33" universe="1" />
+  <cell id="927" material="void" name="x = 6, y = 2, z = 9" region="19 -22 8 -11 30 -33" universe="1" />
+  <cell id="928" material="void" name="x = 7, y = 2, z = 9" region="22 -25 8 -11 30 -33" universe="1" />
+  <cell id="929" material="void" name="x = 8, y = 2, z = 9" region="25 -28 8 -11 30 -33" universe="1" />
+  <cell id="930" material="void" name="x = 9, y = 2, z = 9" region="28 -31 8 -11 30 -33" universe="1" />
+  <cell id="931" material="void" name="x = 0, y = 3, z = 9" region="1 -4 11 -14 30 -33" universe="1" />
+  <cell id="932" material="void" name="x = 1, y = 3, z = 9" region="4 -7 11 -14 30 -33" universe="1" />
+  <cell id="933" material="void" name="x = 2, y = 3, z = 9" region="7 -10 11 -14 30 -33" universe="1" />
+  <cell id="934" material="void" name="x = 3, y = 3, z = 9" region="10 -13 11 -14 30 -33" universe="1" />
+  <cell id="935" material="void" name="x = 4, y = 3, z = 9" region="13 -16 11 -14 30 -33" universe="1" />
+  <cell id="936" material="void" name="x = 5, y = 3, z = 9" region="16 -19 11 -14 30 -33" universe="1" />
+  <cell id="937" material="void" name="x = 6, y = 3, z = 9" region="19 -22 11 -14 30 -33" universe="1" />
+  <cell id="938" material="void" name="x = 7, y = 3, z = 9" region="22 -25 11 -14 30 -33" universe="1" />
+  <cell id="939" material="void" name="x = 8, y = 3, z = 9" region="25 -28 11 -14 30 -33" universe="1" />
+  <cell id="940" material="void" name="x = 9, y = 3, z = 9" region="28 -31 11 -14 30 -33" universe="1" />
+  <cell id="941" material="void" name="x = 0, y = 4, z = 9" region="1 -4 14 -17 30 -33" universe="1" />
+  <cell id="942" material="void" name="x = 1, y = 4, z = 9" region="4 -7 14 -17 30 -33" universe="1" />
+  <cell id="943" material="void" name="x = 2, y = 4, z = 9" region="7 -10 14 -17 30 -33" universe="1" />
+  <cell id="944" material="void" name="x = 3, y = 4, z = 9" region="10 -13 14 -17 30 -33" universe="1" />
+  <cell id="945" material="void" name="x = 4, y = 4, z = 9" region="13 -16 14 -17 30 -33" universe="1" />
+  <cell id="946" material="void" name="x = 5, y = 4, z = 9" region="16 -19 14 -17 30 -33" universe="1" />
+  <cell id="947" material="void" name="x = 6, y = 4, z = 9" region="19 -22 14 -17 30 -33" universe="1" />
+  <cell id="948" material="void" name="x = 7, y = 4, z = 9" region="22 -25 14 -17 30 -33" universe="1" />
+  <cell id="949" material="void" name="x = 8, y = 4, z = 9" region="25 -28 14 -17 30 -33" universe="1" />
+  <cell id="950" material="void" name="x = 9, y = 4, z = 9" region="28 -31 14 -17 30 -33" universe="1" />
+  <cell id="951" material="void" name="x = 0, y = 5, z = 9" region="1 -4 17 -20 30 -33" universe="1" />
+  <cell id="952" material="void" name="x = 1, y = 5, z = 9" region="4 -7 17 -20 30 -33" universe="1" />
+  <cell id="953" material="void" name="x = 2, y = 5, z = 9" region="7 -10 17 -20 30 -33" universe="1" />
+  <cell id="954" material="void" name="x = 3, y = 5, z = 9" region="10 -13 17 -20 30 -33" universe="1" />
+  <cell id="955" material="void" name="x = 4, y = 5, z = 9" region="13 -16 17 -20 30 -33" universe="1" />
+  <cell id="956" material="void" name="x = 5, y = 5, z = 9" region="16 -19 17 -20 30 -33" universe="1" />
+  <cell id="957" material="void" name="x = 6, y = 5, z = 9" region="19 -22 17 -20 30 -33" universe="1" />
+  <cell id="958" material="void" name="x = 7, y = 5, z = 9" region="22 -25 17 -20 30 -33" universe="1" />
+  <cell id="959" material="void" name="x = 8, y = 5, z = 9" region="25 -28 17 -20 30 -33" universe="1" />
+  <cell id="960" material="void" name="x = 9, y = 5, z = 9" region="28 -31 17 -20 30 -33" universe="1" />
+  <cell id="961" material="void" name="x = 0, y = 6, z = 9" region="1 -4 20 -23 30 -33" universe="1" />
+  <cell id="962" material="void" name="x = 1, y = 6, z = 9" region="4 -7 20 -23 30 -33" universe="1" />
+  <cell id="963" material="void" name="x = 2, y = 6, z = 9" region="7 -10 20 -23 30 -33" universe="1" />
+  <cell id="964" material="void" name="x = 3, y = 6, z = 9" region="10 -13 20 -23 30 -33" universe="1" />
+  <cell id="965" material="void" name="x = 4, y = 6, z = 9" region="13 -16 20 -23 30 -33" universe="1" />
+  <cell id="966" material="void" name="x = 5, y = 6, z = 9" region="16 -19 20 -23 30 -33" universe="1" />
+  <cell id="967" material="void" name="x = 6, y = 6, z = 9" region="19 -22 20 -23 30 -33" universe="1" />
+  <cell id="968" material="void" name="x = 7, y = 6, z = 9" region="22 -25 20 -23 30 -33" universe="1" />
+  <cell id="969" material="void" name="x = 8, y = 6, z = 9" region="25 -28 20 -23 30 -33" universe="1" />
+  <cell id="970" material="void" name="x = 9, y = 6, z = 9" region="28 -31 20 -23 30 -33" universe="1" />
+  <cell id="971" material="void" name="x = 0, y = 7, z = 9" region="1 -4 23 -26 30 -33" universe="1" />
+  <cell id="972" material="void" name="x = 1, y = 7, z = 9" region="4 -7 23 -26 30 -33" universe="1" />
+  <cell id="973" material="void" name="x = 2, y = 7, z = 9" region="7 -10 23 -26 30 -33" universe="1" />
+  <cell id="974" material="void" name="x = 3, y = 7, z = 9" region="10 -13 23 -26 30 -33" universe="1" />
+  <cell id="975" material="void" name="x = 4, y = 7, z = 9" region="13 -16 23 -26 30 -33" universe="1" />
+  <cell id="976" material="void" name="x = 5, y = 7, z = 9" region="16 -19 23 -26 30 -33" universe="1" />
+  <cell id="977" material="void" name="x = 6, y = 7, z = 9" region="19 -22 23 -26 30 -33" universe="1" />
+  <cell id="978" material="void" name="x = 7, y = 7, z = 9" region="22 -25 23 -26 30 -33" universe="1" />
+  <cell id="979" material="void" name="x = 8, y = 7, z = 9" region="25 -28 23 -26 30 -33" universe="1" />
+  <cell id="980" material="void" name="x = 9, y = 7, z = 9" region="28 -31 23 -26 30 -33" universe="1" />
+  <cell id="981" material="void" name="x = 0, y = 8, z = 9" region="1 -4 26 -29 30 -33" universe="1" />
+  <cell id="982" material="void" name="x = 1, y = 8, z = 9" region="4 -7 26 -29 30 -33" universe="1" />
+  <cell id="983" material="void" name="x = 2, y = 8, z = 9" region="7 -10 26 -29 30 -33" universe="1" />
+  <cell id="984" material="void" name="x = 3, y = 8, z = 9" region="10 -13 26 -29 30 -33" universe="1" />
+  <cell id="985" material="void" name="x = 4, y = 8, z = 9" region="13 -16 26 -29 30 -33" universe="1" />
+  <cell id="986" material="void" name="x = 5, y = 8, z = 9" region="16 -19 26 -29 30 -33" universe="1" />
+  <cell id="987" material="void" name="x = 6, y = 8, z = 9" region="19 -22 26 -29 30 -33" universe="1" />
+  <cell id="988" material="void" name="x = 7, y = 8, z = 9" region="22 -25 26 -29 30 -33" universe="1" />
+  <cell id="989" material="void" name="x = 8, y = 8, z = 9" region="25 -28 26 -29 30 -33" universe="1" />
+  <cell id="990" material="void" name="x = 9, y = 8, z = 9" region="28 -31 26 -29 30 -33" universe="1" />
+  <cell id="991" material="void" name="x = 0, y = 9, z = 9" region="1 -4 29 -32 30 -33" universe="1" />
+  <cell id="992" material="void" name="x = 1, y = 9, z = 9" region="4 -7 29 -32 30 -33" universe="1" />
+  <cell id="993" material="void" name="x = 2, y = 9, z = 9" region="7 -10 29 -32 30 -33" universe="1" />
+  <cell id="994" material="void" name="x = 3, y = 9, z = 9" region="10 -13 29 -32 30 -33" universe="1" />
+  <cell id="995" material="void" name="x = 4, y = 9, z = 9" region="13 -16 29 -32 30 -33" universe="1" />
+  <cell id="996" material="void" name="x = 5, y = 9, z = 9" region="16 -19 29 -32 30 -33" universe="1" />
+  <cell id="997" material="void" name="x = 6, y = 9, z = 9" region="19 -22 29 -32 30 -33" universe="1" />
+  <cell id="998" material="void" name="x = 7, y = 9, z = 9" region="22 -25 29 -32 30 -33" universe="1" />
+  <cell id="999" material="void" name="x = 8, y = 9, z = 9" region="25 -28 29 -32 30 -33" universe="1" />
+  <cell id="1000" material="void" name="x = 9, y = 9, z = 9" region="28 -31 29 -32 30 -33" universe="1" />
   <surface boundary="vacuum" coeffs="-10.0" id="1" name="X plane at -10.0" type="x-plane" />
   <surface boundary="vacuum" coeffs="-10.0" id="2" name="Y plane at -10.0" type="y-plane" />
   <surface boundary="vacuum" coeffs="-10.0" id="3" name="Z plane at -10.0" type="z-plane" />
@@ -1048,7 +1048,7 @@
   <particles>5000</particles>
   <batches>2</batches>
   <source strength="1.0">
-    <space mesh_id="1" type="mesh" volume_weighting="True" />
+    <space mesh_id="1" type="mesh" volume_normalized="True" />
     <energy type="discrete">
       <parameters>15000000.0 1.0</parameters>
     </energy>
diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true1.dat b/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true1.dat
index fca2bb796..dca3958c3 100644
--- a/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true1.dat
+++ b/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true1.dat
@@ -1,1005 +1,1005 @@
 <?xml version='1.0' encoding='utf-8'?>
 <geometry>
-  <cell id="1" material="3" name="x 0 y 0 z 0" region="1 -4 2 -5 3 -6" universe="1" />
-  <cell id="2" material="3" name="x 1 y 0 z 0" region="4 -7 2 -5 3 -6" universe="1" />
-  <cell id="3" material="3" name="x 2 y 0 z 0" region="7 -10 2 -5 3 -6" universe="1" />
-  <cell id="4" material="3" name="x 3 y 0 z 0" region="10 -13 2 -5 3 -6" universe="1" />
-  <cell id="5" material="3" name="x 4 y 0 z 0" region="13 -16 2 -5 3 -6" universe="1" />
-  <cell id="6" material="3" name="x 5 y 0 z 0" region="16 -19 2 -5 3 -6" universe="1" />
-  <cell id="7" material="3" name="x 6 y 0 z 0" region="19 -22 2 -5 3 -6" universe="1" />
-  <cell id="8" material="3" name="x 7 y 0 z 0" region="22 -25 2 -5 3 -6" universe="1" />
-  <cell id="9" material="3" name="x 8 y 0 z 0" region="25 -28 2 -5 3 -6" universe="1" />
-  <cell id="10" material="3" name="x 9 y 0 z 0" region="28 -31 2 -5 3 -6" universe="1" />
-  <cell id="11" material="3" name="x 0 y 1 z 0" region="1 -4 5 -8 3 -6" universe="1" />
-  <cell id="12" material="3" name="x 1 y 1 z 0" region="4 -7 5 -8 3 -6" universe="1" />
-  <cell id="13" material="3" name="x 2 y 1 z 0" region="7 -10 5 -8 3 -6" universe="1" />
-  <cell id="14" material="3" name="x 3 y 1 z 0" region="10 -13 5 -8 3 -6" universe="1" />
-  <cell id="15" material="3" name="x 4 y 1 z 0" region="13 -16 5 -8 3 -6" universe="1" />
-  <cell id="16" material="3" name="x 5 y 1 z 0" region="16 -19 5 -8 3 -6" universe="1" />
-  <cell id="17" material="3" name="x 6 y 1 z 0" region="19 -22 5 -8 3 -6" universe="1" />
-  <cell id="18" material="3" name="x 7 y 1 z 0" region="22 -25 5 -8 3 -6" universe="1" />
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+  <cell id="25" material="void" name="x = 4, y = 2, z = 0" region="13 -16 8 -11 3 -6" universe="1" />
+  <cell id="26" material="void" name="x = 5, y = 2, z = 0" region="16 -19 8 -11 3 -6" universe="1" />
+  <cell id="27" material="void" name="x = 6, y = 2, z = 0" region="19 -22 8 -11 3 -6" universe="1" />
+  <cell id="28" material="void" name="x = 7, y = 2, z = 0" region="22 -25 8 -11 3 -6" universe="1" />
+  <cell id="29" material="void" name="x = 8, y = 2, z = 0" region="25 -28 8 -11 3 -6" universe="1" />
+  <cell id="30" material="void" name="x = 9, y = 2, z = 0" region="28 -31 8 -11 3 -6" universe="1" />
+  <cell id="31" material="void" name="x = 0, y = 3, z = 0" region="1 -4 11 -14 3 -6" universe="1" />
+  <cell id="32" material="void" name="x = 1, y = 3, z = 0" region="4 -7 11 -14 3 -6" universe="1" />
+  <cell id="33" material="void" name="x = 2, y = 3, z = 0" region="7 -10 11 -14 3 -6" universe="1" />
+  <cell id="34" material="void" name="x = 3, y = 3, z = 0" region="10 -13 11 -14 3 -6" universe="1" />
+  <cell id="35" material="void" name="x = 4, y = 3, z = 0" region="13 -16 11 -14 3 -6" universe="1" />
+  <cell id="36" material="void" name="x = 5, y = 3, z = 0" region="16 -19 11 -14 3 -6" universe="1" />
+  <cell id="37" material="void" name="x = 6, y = 3, z = 0" region="19 -22 11 -14 3 -6" universe="1" />
+  <cell id="38" material="void" name="x = 7, y = 3, z = 0" region="22 -25 11 -14 3 -6" universe="1" />
+  <cell id="39" material="void" name="x = 8, y = 3, z = 0" region="25 -28 11 -14 3 -6" universe="1" />
+  <cell id="40" material="void" name="x = 9, y = 3, z = 0" region="28 -31 11 -14 3 -6" universe="1" />
+  <cell id="41" material="void" name="x = 0, y = 4, z = 0" region="1 -4 14 -17 3 -6" universe="1" />
+  <cell id="42" material="void" name="x = 1, y = 4, z = 0" region="4 -7 14 -17 3 -6" universe="1" />
+  <cell id="43" material="void" name="x = 2, y = 4, z = 0" region="7 -10 14 -17 3 -6" universe="1" />
+  <cell id="44" material="void" name="x = 3, y = 4, z = 0" region="10 -13 14 -17 3 -6" universe="1" />
+  <cell id="45" material="void" name="x = 4, y = 4, z = 0" region="13 -16 14 -17 3 -6" universe="1" />
+  <cell id="46" material="void" name="x = 5, y = 4, z = 0" region="16 -19 14 -17 3 -6" universe="1" />
+  <cell id="47" material="void" name="x = 6, y = 4, z = 0" region="19 -22 14 -17 3 -6" universe="1" />
+  <cell id="48" material="void" name="x = 7, y = 4, z = 0" region="22 -25 14 -17 3 -6" universe="1" />
+  <cell id="49" material="void" name="x = 8, y = 4, z = 0" region="25 -28 14 -17 3 -6" universe="1" />
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+  <cell id="51" material="void" name="x = 0, y = 5, z = 0" region="1 -4 17 -20 3 -6" universe="1" />
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+  <cell id="53" material="void" name="x = 2, y = 5, z = 0" region="7 -10 17 -20 3 -6" universe="1" />
+  <cell id="54" material="void" name="x = 3, y = 5, z = 0" region="10 -13 17 -20 3 -6" universe="1" />
+  <cell id="55" material="void" name="x = 4, y = 5, z = 0" region="13 -16 17 -20 3 -6" universe="1" />
+  <cell id="56" material="void" name="x = 5, y = 5, z = 0" region="16 -19 17 -20 3 -6" universe="1" />
+  <cell id="57" material="void" name="x = 6, y = 5, z = 0" region="19 -22 17 -20 3 -6" universe="1" />
+  <cell id="58" material="void" name="x = 7, y = 5, z = 0" region="22 -25 17 -20 3 -6" universe="1" />
+  <cell id="59" material="void" name="x = 8, y = 5, z = 0" region="25 -28 17 -20 3 -6" universe="1" />
+  <cell id="60" material="void" name="x = 9, y = 5, z = 0" region="28 -31 17 -20 3 -6" universe="1" />
+  <cell id="61" material="void" name="x = 0, y = 6, z = 0" region="1 -4 20 -23 3 -6" universe="1" />
+  <cell id="62" material="void" name="x = 1, y = 6, z = 0" region="4 -7 20 -23 3 -6" universe="1" />
+  <cell id="63" material="void" name="x = 2, y = 6, z = 0" region="7 -10 20 -23 3 -6" universe="1" />
+  <cell id="64" material="void" name="x = 3, y = 6, z = 0" region="10 -13 20 -23 3 -6" universe="1" />
+  <cell id="65" material="void" name="x = 4, y = 6, z = 0" region="13 -16 20 -23 3 -6" universe="1" />
+  <cell id="66" material="void" name="x = 5, y = 6, z = 0" region="16 -19 20 -23 3 -6" universe="1" />
+  <cell id="67" material="void" name="x = 6, y = 6, z = 0" region="19 -22 20 -23 3 -6" universe="1" />
+  <cell id="68" material="void" name="x = 7, y = 6, z = 0" region="22 -25 20 -23 3 -6" universe="1" />
+  <cell id="69" material="void" name="x = 8, y = 6, z = 0" region="25 -28 20 -23 3 -6" universe="1" />
+  <cell id="70" material="void" name="x = 9, y = 6, z = 0" region="28 -31 20 -23 3 -6" universe="1" />
+  <cell id="71" material="void" name="x = 0, y = 7, z = 0" region="1 -4 23 -26 3 -6" universe="1" />
+  <cell id="72" material="void" name="x = 1, y = 7, z = 0" region="4 -7 23 -26 3 -6" universe="1" />
+  <cell id="73" material="void" name="x = 2, y = 7, z = 0" region="7 -10 23 -26 3 -6" universe="1" />
+  <cell id="74" material="void" name="x = 3, y = 7, z = 0" region="10 -13 23 -26 3 -6" universe="1" />
+  <cell id="75" material="void" name="x = 4, y = 7, z = 0" region="13 -16 23 -26 3 -6" universe="1" />
+  <cell id="76" material="void" name="x = 5, y = 7, z = 0" region="16 -19 23 -26 3 -6" universe="1" />
+  <cell id="77" material="void" name="x = 6, y = 7, z = 0" region="19 -22 23 -26 3 -6" universe="1" />
+  <cell id="78" material="void" name="x = 7, y = 7, z = 0" region="22 -25 23 -26 3 -6" universe="1" />
+  <cell id="79" material="void" name="x = 8, y = 7, z = 0" region="25 -28 23 -26 3 -6" universe="1" />
+  <cell id="80" material="void" name="x = 9, y = 7, z = 0" region="28 -31 23 -26 3 -6" universe="1" />
+  <cell id="81" material="void" name="x = 0, y = 8, z = 0" region="1 -4 26 -29 3 -6" universe="1" />
+  <cell id="82" material="void" name="x = 1, y = 8, z = 0" region="4 -7 26 -29 3 -6" universe="1" />
+  <cell id="83" material="void" name="x = 2, y = 8, z = 0" region="7 -10 26 -29 3 -6" universe="1" />
+  <cell id="84" material="void" name="x = 3, y = 8, z = 0" region="10 -13 26 -29 3 -6" universe="1" />
+  <cell id="85" material="void" name="x = 4, y = 8, z = 0" region="13 -16 26 -29 3 -6" universe="1" />
+  <cell id="86" material="void" name="x = 5, y = 8, z = 0" region="16 -19 26 -29 3 -6" universe="1" />
+  <cell id="87" material="void" name="x = 6, y = 8, z = 0" region="19 -22 26 -29 3 -6" universe="1" />
+  <cell id="88" material="void" name="x = 7, y = 8, z = 0" region="22 -25 26 -29 3 -6" universe="1" />
+  <cell id="89" material="void" name="x = 8, y = 8, z = 0" region="25 -28 26 -29 3 -6" universe="1" />
+  <cell id="90" material="void" name="x = 9, y = 8, z = 0" region="28 -31 26 -29 3 -6" universe="1" />
+  <cell id="91" material="void" name="x = 0, y = 9, z = 0" region="1 -4 29 -32 3 -6" universe="1" />
+  <cell id="92" material="void" name="x = 1, y = 9, z = 0" region="4 -7 29 -32 3 -6" universe="1" />
+  <cell id="93" material="void" name="x = 2, y = 9, z = 0" region="7 -10 29 -32 3 -6" universe="1" />
+  <cell id="94" material="void" name="x = 3, y = 9, z = 0" region="10 -13 29 -32 3 -6" universe="1" />
+  <cell id="95" material="void" name="x = 4, y = 9, z = 0" region="13 -16 29 -32 3 -6" universe="1" />
+  <cell id="96" material="void" name="x = 5, y = 9, z = 0" region="16 -19 29 -32 3 -6" universe="1" />
+  <cell id="97" material="void" name="x = 6, y = 9, z = 0" region="19 -22 29 -32 3 -6" universe="1" />
+  <cell id="98" material="void" name="x = 7, y = 9, z = 0" region="22 -25 29 -32 3 -6" universe="1" />
+  <cell id="99" material="void" name="x = 8, y = 9, z = 0" region="25 -28 29 -32 3 -6" universe="1" />
+  <cell id="100" material="void" name="x = 9, y = 9, z = 0" region="28 -31 29 -32 3 -6" universe="1" />
+  <cell id="101" material="void" name="x = 0, y = 0, z = 1" region="1 -4 2 -5 6 -9" universe="1" />
+  <cell id="102" material="void" name="x = 1, y = 0, z = 1" region="4 -7 2 -5 6 -9" universe="1" />
+  <cell id="103" material="void" name="x = 2, y = 0, z = 1" region="7 -10 2 -5 6 -9" universe="1" />
+  <cell id="104" material="void" name="x = 3, y = 0, z = 1" region="10 -13 2 -5 6 -9" universe="1" />
+  <cell id="105" material="void" name="x = 4, y = 0, z = 1" region="13 -16 2 -5 6 -9" universe="1" />
+  <cell id="106" material="void" name="x = 5, y = 0, z = 1" region="16 -19 2 -5 6 -9" universe="1" />
+  <cell id="107" material="void" name="x = 6, y = 0, z = 1" region="19 -22 2 -5 6 -9" universe="1" />
+  <cell id="108" material="void" name="x = 7, y = 0, z = 1" region="22 -25 2 -5 6 -9" universe="1" />
+  <cell id="109" material="void" name="x = 8, y = 0, z = 1" region="25 -28 2 -5 6 -9" universe="1" />
+  <cell id="110" material="void" name="x = 9, y = 0, z = 1" region="28 -31 2 -5 6 -9" universe="1" />
+  <cell id="111" material="void" name="x = 0, y = 1, z = 1" region="1 -4 5 -8 6 -9" universe="1" />
+  <cell id="112" material="void" name="x = 1, y = 1, z = 1" region="4 -7 5 -8 6 -9" universe="1" />
+  <cell id="113" material="void" name="x = 2, y = 1, z = 1" region="7 -10 5 -8 6 -9" universe="1" />
+  <cell id="114" material="void" name="x = 3, y = 1, z = 1" region="10 -13 5 -8 6 -9" universe="1" />
+  <cell id="115" material="void" name="x = 4, y = 1, z = 1" region="13 -16 5 -8 6 -9" universe="1" />
+  <cell id="116" material="void" name="x = 5, y = 1, z = 1" region="16 -19 5 -8 6 -9" universe="1" />
+  <cell id="117" material="void" name="x = 6, y = 1, z = 1" region="19 -22 5 -8 6 -9" universe="1" />
+  <cell id="118" material="void" name="x = 7, y = 1, z = 1" region="22 -25 5 -8 6 -9" universe="1" />
+  <cell id="119" material="void" name="x = 8, y = 1, z = 1" region="25 -28 5 -8 6 -9" universe="1" />
+  <cell id="120" material="void" name="x = 9, y = 1, z = 1" region="28 -31 5 -8 6 -9" universe="1" />
+  <cell id="121" material="void" name="x = 0, y = 2, z = 1" region="1 -4 8 -11 6 -9" universe="1" />
+  <cell id="122" material="void" name="x = 1, y = 2, z = 1" region="4 -7 8 -11 6 -9" universe="1" />
+  <cell id="123" material="void" name="x = 2, y = 2, z = 1" region="7 -10 8 -11 6 -9" universe="1" />
+  <cell id="124" material="void" name="x = 3, y = 2, z = 1" region="10 -13 8 -11 6 -9" universe="1" />
+  <cell id="125" material="void" name="x = 4, y = 2, z = 1" region="13 -16 8 -11 6 -9" universe="1" />
+  <cell id="126" material="void" name="x = 5, y = 2, z = 1" region="16 -19 8 -11 6 -9" universe="1" />
+  <cell id="127" material="void" name="x = 6, y = 2, z = 1" region="19 -22 8 -11 6 -9" universe="1" />
+  <cell id="128" material="void" name="x = 7, y = 2, z = 1" region="22 -25 8 -11 6 -9" universe="1" />
+  <cell id="129" material="void" name="x = 8, y = 2, z = 1" region="25 -28 8 -11 6 -9" universe="1" />
+  <cell id="130" material="void" name="x = 9, y = 2, z = 1" region="28 -31 8 -11 6 -9" universe="1" />
+  <cell id="131" material="void" name="x = 0, y = 3, z = 1" region="1 -4 11 -14 6 -9" universe="1" />
+  <cell id="132" material="void" name="x = 1, y = 3, z = 1" region="4 -7 11 -14 6 -9" universe="1" />
+  <cell id="133" material="void" name="x = 2, y = 3, z = 1" region="7 -10 11 -14 6 -9" universe="1" />
+  <cell id="134" material="void" name="x = 3, y = 3, z = 1" region="10 -13 11 -14 6 -9" universe="1" />
+  <cell id="135" material="void" name="x = 4, y = 3, z = 1" region="13 -16 11 -14 6 -9" universe="1" />
+  <cell id="136" material="void" name="x = 5, y = 3, z = 1" region="16 -19 11 -14 6 -9" universe="1" />
+  <cell id="137" material="void" name="x = 6, y = 3, z = 1" region="19 -22 11 -14 6 -9" universe="1" />
+  <cell id="138" material="void" name="x = 7, y = 3, z = 1" region="22 -25 11 -14 6 -9" universe="1" />
+  <cell id="139" material="void" name="x = 8, y = 3, z = 1" region="25 -28 11 -14 6 -9" universe="1" />
+  <cell id="140" material="void" name="x = 9, y = 3, z = 1" region="28 -31 11 -14 6 -9" universe="1" />
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+  <cell id="142" material="void" name="x = 1, y = 4, z = 1" region="4 -7 14 -17 6 -9" universe="1" />
+  <cell id="143" material="void" name="x = 2, y = 4, z = 1" region="7 -10 14 -17 6 -9" universe="1" />
+  <cell id="144" material="void" name="x = 3, y = 4, z = 1" region="10 -13 14 -17 6 -9" universe="1" />
+  <cell id="145" material="void" name="x = 4, y = 4, z = 1" region="13 -16 14 -17 6 -9" universe="1" />
+  <cell id="146" material="void" name="x = 5, y = 4, z = 1" region="16 -19 14 -17 6 -9" universe="1" />
+  <cell id="147" material="void" name="x = 6, y = 4, z = 1" region="19 -22 14 -17 6 -9" universe="1" />
+  <cell id="148" material="void" name="x = 7, y = 4, z = 1" region="22 -25 14 -17 6 -9" universe="1" />
+  <cell id="149" material="void" name="x = 8, y = 4, z = 1" region="25 -28 14 -17 6 -9" universe="1" />
+  <cell id="150" material="void" name="x = 9, y = 4, z = 1" region="28 -31 14 -17 6 -9" universe="1" />
+  <cell id="151" material="void" name="x = 0, y = 5, z = 1" region="1 -4 17 -20 6 -9" universe="1" />
+  <cell id="152" material="void" name="x = 1, y = 5, z = 1" region="4 -7 17 -20 6 -9" universe="1" />
+  <cell id="153" material="void" name="x = 2, y = 5, z = 1" region="7 -10 17 -20 6 -9" universe="1" />
+  <cell id="154" material="void" name="x = 3, y = 5, z = 1" region="10 -13 17 -20 6 -9" universe="1" />
+  <cell id="155" material="void" name="x = 4, y = 5, z = 1" region="13 -16 17 -20 6 -9" universe="1" />
+  <cell id="156" material="void" name="x = 5, y = 5, z = 1" region="16 -19 17 -20 6 -9" universe="1" />
+  <cell id="157" material="void" name="x = 6, y = 5, z = 1" region="19 -22 17 -20 6 -9" universe="1" />
+  <cell id="158" material="void" name="x = 7, y = 5, z = 1" region="22 -25 17 -20 6 -9" universe="1" />
+  <cell id="159" material="void" name="x = 8, y = 5, z = 1" region="25 -28 17 -20 6 -9" universe="1" />
+  <cell id="160" material="void" name="x = 9, y = 5, z = 1" region="28 -31 17 -20 6 -9" universe="1" />
+  <cell id="161" material="void" name="x = 0, y = 6, z = 1" region="1 -4 20 -23 6 -9" universe="1" />
+  <cell id="162" material="void" name="x = 1, y = 6, z = 1" region="4 -7 20 -23 6 -9" universe="1" />
+  <cell id="163" material="void" name="x = 2, y = 6, z = 1" region="7 -10 20 -23 6 -9" universe="1" />
+  <cell id="164" material="void" name="x = 3, y = 6, z = 1" region="10 -13 20 -23 6 -9" universe="1" />
+  <cell id="165" material="void" name="x = 4, y = 6, z = 1" region="13 -16 20 -23 6 -9" universe="1" />
+  <cell id="166" material="void" name="x = 5, y = 6, z = 1" region="16 -19 20 -23 6 -9" universe="1" />
+  <cell id="167" material="void" name="x = 6, y = 6, z = 1" region="19 -22 20 -23 6 -9" universe="1" />
+  <cell id="168" material="void" name="x = 7, y = 6, z = 1" region="22 -25 20 -23 6 -9" universe="1" />
+  <cell id="169" material="void" name="x = 8, y = 6, z = 1" region="25 -28 20 -23 6 -9" universe="1" />
+  <cell id="170" material="void" name="x = 9, y = 6, z = 1" region="28 -31 20 -23 6 -9" universe="1" />
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+  <cell id="172" material="void" name="x = 1, y = 7, z = 1" region="4 -7 23 -26 6 -9" universe="1" />
+  <cell id="173" material="void" name="x = 2, y = 7, z = 1" region="7 -10 23 -26 6 -9" universe="1" />
+  <cell id="174" material="void" name="x = 3, y = 7, z = 1" region="10 -13 23 -26 6 -9" universe="1" />
+  <cell id="175" material="void" name="x = 4, y = 7, z = 1" region="13 -16 23 -26 6 -9" universe="1" />
+  <cell id="176" material="void" name="x = 5, y = 7, z = 1" region="16 -19 23 -26 6 -9" universe="1" />
+  <cell id="177" material="void" name="x = 6, y = 7, z = 1" region="19 -22 23 -26 6 -9" universe="1" />
+  <cell id="178" material="void" name="x = 7, y = 7, z = 1" region="22 -25 23 -26 6 -9" universe="1" />
+  <cell id="179" material="void" name="x = 8, y = 7, z = 1" region="25 -28 23 -26 6 -9" universe="1" />
+  <cell id="180" material="void" name="x = 9, y = 7, z = 1" region="28 -31 23 -26 6 -9" universe="1" />
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+  <cell id="183" material="void" name="x = 2, y = 8, z = 1" region="7 -10 26 -29 6 -9" universe="1" />
+  <cell id="184" material="void" name="x = 3, y = 8, z = 1" region="10 -13 26 -29 6 -9" universe="1" />
+  <cell id="185" material="void" name="x = 4, y = 8, z = 1" region="13 -16 26 -29 6 -9" universe="1" />
+  <cell id="186" material="void" name="x = 5, y = 8, z = 1" region="16 -19 26 -29 6 -9" universe="1" />
+  <cell id="187" material="void" name="x = 6, y = 8, z = 1" region="19 -22 26 -29 6 -9" universe="1" />
+  <cell id="188" material="void" name="x = 7, y = 8, z = 1" region="22 -25 26 -29 6 -9" universe="1" />
+  <cell id="189" material="void" name="x = 8, y = 8, z = 1" region="25 -28 26 -29 6 -9" universe="1" />
+  <cell id="190" material="void" name="x = 9, y = 8, z = 1" region="28 -31 26 -29 6 -9" universe="1" />
+  <cell id="191" material="void" name="x = 0, y = 9, z = 1" region="1 -4 29 -32 6 -9" universe="1" />
+  <cell id="192" material="void" name="x = 1, y = 9, z = 1" region="4 -7 29 -32 6 -9" universe="1" />
+  <cell id="193" material="void" name="x = 2, y = 9, z = 1" region="7 -10 29 -32 6 -9" universe="1" />
+  <cell id="194" material="void" name="x = 3, y = 9, z = 1" region="10 -13 29 -32 6 -9" universe="1" />
+  <cell id="195" material="void" name="x = 4, y = 9, z = 1" region="13 -16 29 -32 6 -9" universe="1" />
+  <cell id="196" material="void" name="x = 5, y = 9, z = 1" region="16 -19 29 -32 6 -9" universe="1" />
+  <cell id="197" material="void" name="x = 6, y = 9, z = 1" region="19 -22 29 -32 6 -9" universe="1" />
+  <cell id="198" material="void" name="x = 7, y = 9, z = 1" region="22 -25 29 -32 6 -9" universe="1" />
+  <cell id="199" material="void" name="x = 8, y = 9, z = 1" region="25 -28 29 -32 6 -9" universe="1" />
+  <cell id="200" material="void" name="x = 9, y = 9, z = 1" region="28 -31 29 -32 6 -9" universe="1" />
+  <cell id="201" material="void" name="x = 0, y = 0, z = 2" region="1 -4 2 -5 9 -12" universe="1" />
+  <cell id="202" material="void" name="x = 1, y = 0, z = 2" region="4 -7 2 -5 9 -12" universe="1" />
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+  <cell id="204" material="void" name="x = 3, y = 0, z = 2" region="10 -13 2 -5 9 -12" universe="1" />
+  <cell id="205" material="void" name="x = 4, y = 0, z = 2" region="13 -16 2 -5 9 -12" universe="1" />
+  <cell id="206" material="void" name="x = 5, y = 0, z = 2" region="16 -19 2 -5 9 -12" universe="1" />
+  <cell id="207" material="void" name="x = 6, y = 0, z = 2" region="19 -22 2 -5 9 -12" universe="1" />
+  <cell id="208" material="void" name="x = 7, y = 0, z = 2" region="22 -25 2 -5 9 -12" universe="1" />
+  <cell id="209" material="void" name="x = 8, y = 0, z = 2" region="25 -28 2 -5 9 -12" universe="1" />
+  <cell id="210" material="void" name="x = 9, y = 0, z = 2" region="28 -31 2 -5 9 -12" universe="1" />
+  <cell id="211" material="void" name="x = 0, y = 1, z = 2" region="1 -4 5 -8 9 -12" universe="1" />
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+  <cell id="215" material="void" name="x = 4, y = 1, z = 2" region="13 -16 5 -8 9 -12" universe="1" />
+  <cell id="216" material="void" name="x = 5, y = 1, z = 2" region="16 -19 5 -8 9 -12" universe="1" />
+  <cell id="217" material="void" name="x = 6, y = 1, z = 2" region="19 -22 5 -8 9 -12" universe="1" />
+  <cell id="218" material="void" name="x = 7, y = 1, z = 2" region="22 -25 5 -8 9 -12" universe="1" />
+  <cell id="219" material="void" name="x = 8, y = 1, z = 2" region="25 -28 5 -8 9 -12" universe="1" />
+  <cell id="220" material="void" name="x = 9, y = 1, z = 2" region="28 -31 5 -8 9 -12" universe="1" />
+  <cell id="221" material="void" name="x = 0, y = 2, z = 2" region="1 -4 8 -11 9 -12" universe="1" />
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+  <cell id="226" material="void" name="x = 5, y = 2, z = 2" region="16 -19 8 -11 9 -12" universe="1" />
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+  <cell id="229" material="void" name="x = 8, y = 2, z = 2" region="25 -28 8 -11 9 -12" universe="1" />
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+  <cell id="231" material="void" name="x = 0, y = 3, z = 2" region="1 -4 11 -14 9 -12" universe="1" />
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+  <cell id="236" material="void" name="x = 5, y = 3, z = 2" region="16 -19 11 -14 9 -12" universe="1" />
+  <cell id="237" material="void" name="x = 6, y = 3, z = 2" region="19 -22 11 -14 9 -12" universe="1" />
+  <cell id="238" material="void" name="x = 7, y = 3, z = 2" region="22 -25 11 -14 9 -12" universe="1" />
+  <cell id="239" material="void" name="x = 8, y = 3, z = 2" region="25 -28 11 -14 9 -12" universe="1" />
+  <cell id="240" material="void" name="x = 9, y = 3, z = 2" region="28 -31 11 -14 9 -12" universe="1" />
+  <cell id="241" material="void" name="x = 0, y = 4, z = 2" region="1 -4 14 -17 9 -12" universe="1" />
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+  <cell id="255" material="void" name="x = 4, y = 5, z = 2" region="13 -16 17 -20 9 -12" universe="1" />
+  <cell id="256" material="void" name="x = 5, y = 5, z = 2" region="16 -19 17 -20 9 -12" universe="1" />
+  <cell id="257" material="void" name="x = 6, y = 5, z = 2" region="19 -22 17 -20 9 -12" universe="1" />
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+  <cell id="259" material="void" name="x = 8, y = 5, z = 2" region="25 -28 17 -20 9 -12" universe="1" />
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+  <cell id="267" material="void" name="x = 6, y = 6, z = 2" region="19 -22 20 -23 9 -12" universe="1" />
+  <cell id="268" material="void" name="x = 7, y = 6, z = 2" region="22 -25 20 -23 9 -12" universe="1" />
+  <cell id="269" material="void" name="x = 8, y = 6, z = 2" region="25 -28 20 -23 9 -12" universe="1" />
+  <cell id="270" material="void" name="x = 9, y = 6, z = 2" region="28 -31 20 -23 9 -12" universe="1" />
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+  <cell id="275" material="void" name="x = 4, y = 7, z = 2" region="13 -16 23 -26 9 -12" universe="1" />
+  <cell id="276" material="void" name="x = 5, y = 7, z = 2" region="16 -19 23 -26 9 -12" universe="1" />
+  <cell id="277" material="void" name="x = 6, y = 7, z = 2" region="19 -22 23 -26 9 -12" universe="1" />
+  <cell id="278" material="void" name="x = 7, y = 7, z = 2" region="22 -25 23 -26 9 -12" universe="1" />
+  <cell id="279" material="void" name="x = 8, y = 7, z = 2" region="25 -28 23 -26 9 -12" universe="1" />
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+  <cell id="288" material="void" name="x = 7, y = 8, z = 2" region="22 -25 26 -29 9 -12" universe="1" />
+  <cell id="289" material="void" name="x = 8, y = 8, z = 2" region="25 -28 26 -29 9 -12" universe="1" />
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+  <cell id="293" material="void" name="x = 2, y = 9, z = 2" region="7 -10 29 -32 9 -12" universe="1" />
+  <cell id="294" material="void" name="x = 3, y = 9, z = 2" region="10 -13 29 -32 9 -12" universe="1" />
+  <cell id="295" material="void" name="x = 4, y = 9, z = 2" region="13 -16 29 -32 9 -12" universe="1" />
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+  <cell id="297" material="void" name="x = 6, y = 9, z = 2" region="19 -22 29 -32 9 -12" universe="1" />
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+  <cell id="307" material="void" name="x = 6, y = 0, z = 3" region="19 -22 2 -5 12 -15" universe="1" />
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+  <cell id="309" material="void" name="x = 8, y = 0, z = 3" region="25 -28 2 -5 12 -15" universe="1" />
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+  <cell id="315" material="void" name="x = 4, y = 1, z = 3" region="13 -16 5 -8 12 -15" universe="1" />
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+  <cell id="317" material="void" name="x = 6, y = 1, z = 3" region="19 -22 5 -8 12 -15" universe="1" />
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+  <cell id="319" material="void" name="x = 8, y = 1, z = 3" region="25 -28 5 -8 12 -15" universe="1" />
+  <cell id="320" material="void" name="x = 9, y = 1, z = 3" region="28 -31 5 -8 12 -15" universe="1" />
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+  <cell id="325" material="void" name="x = 4, y = 2, z = 3" region="13 -16 8 -11 12 -15" universe="1" />
+  <cell id="326" material="void" name="x = 5, y = 2, z = 3" region="16 -19 8 -11 12 -15" universe="1" />
+  <cell id="327" material="void" name="x = 6, y = 2, z = 3" region="19 -22 8 -11 12 -15" universe="1" />
+  <cell id="328" material="void" name="x = 7, y = 2, z = 3" region="22 -25 8 -11 12 -15" universe="1" />
+  <cell id="329" material="void" name="x = 8, y = 2, z = 3" region="25 -28 8 -11 12 -15" universe="1" />
+  <cell id="330" material="void" name="x = 9, y = 2, z = 3" region="28 -31 8 -11 12 -15" universe="1" />
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+  <cell id="332" material="void" name="x = 1, y = 3, z = 3" region="4 -7 11 -14 12 -15" universe="1" />
+  <cell id="333" material="void" name="x = 2, y = 3, z = 3" region="7 -10 11 -14 12 -15" universe="1" />
+  <cell id="334" material="void" name="x = 3, y = 3, z = 3" region="10 -13 11 -14 12 -15" universe="1" />
+  <cell id="335" material="void" name="x = 4, y = 3, z = 3" region="13 -16 11 -14 12 -15" universe="1" />
+  <cell id="336" material="void" name="x = 5, y = 3, z = 3" region="16 -19 11 -14 12 -15" universe="1" />
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+  <cell id="338" material="void" name="x = 7, y = 3, z = 3" region="22 -25 11 -14 12 -15" universe="1" />
+  <cell id="339" material="void" name="x = 8, y = 3, z = 3" region="25 -28 11 -14 12 -15" universe="1" />
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+  <cell id="344" material="void" name="x = 3, y = 4, z = 3" region="10 -13 14 -17 12 -15" universe="1" />
+  <cell id="345" material="void" name="x = 4, y = 4, z = 3" region="13 -16 14 -17 12 -15" universe="1" />
+  <cell id="346" material="void" name="x = 5, y = 4, z = 3" region="16 -19 14 -17 12 -15" universe="1" />
+  <cell id="347" material="void" name="x = 6, y = 4, z = 3" region="19 -22 14 -17 12 -15" universe="1" />
+  <cell id="348" material="void" name="x = 7, y = 4, z = 3" region="22 -25 14 -17 12 -15" universe="1" />
+  <cell id="349" material="void" name="x = 8, y = 4, z = 3" region="25 -28 14 -17 12 -15" universe="1" />
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+  <cell id="357" material="void" name="x = 6, y = 5, z = 3" region="19 -22 17 -20 12 -15" universe="1" />
+  <cell id="358" material="void" name="x = 7, y = 5, z = 3" region="22 -25 17 -20 12 -15" universe="1" />
+  <cell id="359" material="void" name="x = 8, y = 5, z = 3" region="25 -28 17 -20 12 -15" universe="1" />
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+  <cell id="368" material="void" name="x = 7, y = 6, z = 3" region="22 -25 20 -23 12 -15" universe="1" />
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+  <cell id="374" material="void" name="x = 3, y = 7, z = 3" region="10 -13 23 -26 12 -15" universe="1" />
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+  <cell id="376" material="void" name="x = 5, y = 7, z = 3" region="16 -19 23 -26 12 -15" universe="1" />
+  <cell id="377" material="void" name="x = 6, y = 7, z = 3" region="19 -22 23 -26 12 -15" universe="1" />
+  <cell id="378" material="void" name="x = 7, y = 7, z = 3" region="22 -25 23 -26 12 -15" universe="1" />
+  <cell id="379" material="void" name="x = 8, y = 7, z = 3" region="25 -28 23 -26 12 -15" universe="1" />
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     <energy type="discrete">
       <parameters>15000000.0 1.0</parameters>
diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true2.dat b/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true2.dat
index 2cd7bf746..be58bd8f9 100644
--- a/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true2.dat
+++ b/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true2.dat
@@ -1,1005 +1,1005 @@
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+  <cell id="101" material="void" name="x = 0, y = 0, z = 1" region="1 -4 2 -5 6 -9" universe="1" />
+  <cell id="102" material="void" name="x = 1, y = 0, z = 1" region="4 -7 2 -5 6 -9" universe="1" />
+  <cell id="103" material="void" name="x = 2, y = 0, z = 1" region="7 -10 2 -5 6 -9" universe="1" />
+  <cell id="104" material="void" name="x = 3, y = 0, z = 1" region="10 -13 2 -5 6 -9" universe="1" />
+  <cell id="105" material="void" name="x = 4, y = 0, z = 1" region="13 -16 2 -5 6 -9" universe="1" />
+  <cell id="106" material="void" name="x = 5, y = 0, z = 1" region="16 -19 2 -5 6 -9" universe="1" />
+  <cell id="107" material="void" name="x = 6, y = 0, z = 1" region="19 -22 2 -5 6 -9" universe="1" />
+  <cell id="108" material="void" name="x = 7, y = 0, z = 1" region="22 -25 2 -5 6 -9" universe="1" />
+  <cell id="109" material="void" name="x = 8, y = 0, z = 1" region="25 -28 2 -5 6 -9" universe="1" />
+  <cell id="110" material="void" name="x = 9, y = 0, z = 1" region="28 -31 2 -5 6 -9" universe="1" />
+  <cell id="111" material="void" name="x = 0, y = 1, z = 1" region="1 -4 5 -8 6 -9" universe="1" />
+  <cell id="112" material="void" name="x = 1, y = 1, z = 1" region="4 -7 5 -8 6 -9" universe="1" />
+  <cell id="113" material="void" name="x = 2, y = 1, z = 1" region="7 -10 5 -8 6 -9" universe="1" />
+  <cell id="114" material="void" name="x = 3, y = 1, z = 1" region="10 -13 5 -8 6 -9" universe="1" />
+  <cell id="115" material="void" name="x = 4, y = 1, z = 1" region="13 -16 5 -8 6 -9" universe="1" />
+  <cell id="116" material="void" name="x = 5, y = 1, z = 1" region="16 -19 5 -8 6 -9" universe="1" />
+  <cell id="117" material="void" name="x = 6, y = 1, z = 1" region="19 -22 5 -8 6 -9" universe="1" />
+  <cell id="118" material="void" name="x = 7, y = 1, z = 1" region="22 -25 5 -8 6 -9" universe="1" />
+  <cell id="119" material="void" name="x = 8, y = 1, z = 1" region="25 -28 5 -8 6 -9" universe="1" />
+  <cell id="120" material="void" name="x = 9, y = 1, z = 1" region="28 -31 5 -8 6 -9" universe="1" />
+  <cell id="121" material="void" name="x = 0, y = 2, z = 1" region="1 -4 8 -11 6 -9" universe="1" />
+  <cell id="122" material="void" name="x = 1, y = 2, z = 1" region="4 -7 8 -11 6 -9" universe="1" />
+  <cell id="123" material="void" name="x = 2, y = 2, z = 1" region="7 -10 8 -11 6 -9" universe="1" />
+  <cell id="124" material="void" name="x = 3, y = 2, z = 1" region="10 -13 8 -11 6 -9" universe="1" />
+  <cell id="125" material="void" name="x = 4, y = 2, z = 1" region="13 -16 8 -11 6 -9" universe="1" />
+  <cell id="126" material="void" name="x = 5, y = 2, z = 1" region="16 -19 8 -11 6 -9" universe="1" />
+  <cell id="127" material="void" name="x = 6, y = 2, z = 1" region="19 -22 8 -11 6 -9" universe="1" />
+  <cell id="128" material="void" name="x = 7, y = 2, z = 1" region="22 -25 8 -11 6 -9" universe="1" />
+  <cell id="129" material="void" name="x = 8, y = 2, z = 1" region="25 -28 8 -11 6 -9" universe="1" />
+  <cell id="130" material="void" name="x = 9, y = 2, z = 1" region="28 -31 8 -11 6 -9" universe="1" />
+  <cell id="131" material="void" name="x = 0, y = 3, z = 1" region="1 -4 11 -14 6 -9" universe="1" />
+  <cell id="132" material="void" name="x = 1, y = 3, z = 1" region="4 -7 11 -14 6 -9" universe="1" />
+  <cell id="133" material="void" name="x = 2, y = 3, z = 1" region="7 -10 11 -14 6 -9" universe="1" />
+  <cell id="134" material="void" name="x = 3, y = 3, z = 1" region="10 -13 11 -14 6 -9" universe="1" />
+  <cell id="135" material="void" name="x = 4, y = 3, z = 1" region="13 -16 11 -14 6 -9" universe="1" />
+  <cell id="136" material="void" name="x = 5, y = 3, z = 1" region="16 -19 11 -14 6 -9" universe="1" />
+  <cell id="137" material="void" name="x = 6, y = 3, z = 1" region="19 -22 11 -14 6 -9" universe="1" />
+  <cell id="138" material="void" name="x = 7, y = 3, z = 1" region="22 -25 11 -14 6 -9" universe="1" />
+  <cell id="139" material="void" name="x = 8, y = 3, z = 1" region="25 -28 11 -14 6 -9" universe="1" />
+  <cell id="140" material="void" name="x = 9, y = 3, z = 1" region="28 -31 11 -14 6 -9" universe="1" />
+  <cell id="141" material="void" name="x = 0, y = 4, z = 1" region="1 -4 14 -17 6 -9" universe="1" />
+  <cell id="142" material="void" name="x = 1, y = 4, z = 1" region="4 -7 14 -17 6 -9" universe="1" />
+  <cell id="143" material="void" name="x = 2, y = 4, z = 1" region="7 -10 14 -17 6 -9" universe="1" />
+  <cell id="144" material="void" name="x = 3, y = 4, z = 1" region="10 -13 14 -17 6 -9" universe="1" />
+  <cell id="145" material="void" name="x = 4, y = 4, z = 1" region="13 -16 14 -17 6 -9" universe="1" />
+  <cell id="146" material="void" name="x = 5, y = 4, z = 1" region="16 -19 14 -17 6 -9" universe="1" />
+  <cell id="147" material="void" name="x = 6, y = 4, z = 1" region="19 -22 14 -17 6 -9" universe="1" />
+  <cell id="148" material="void" name="x = 7, y = 4, z = 1" region="22 -25 14 -17 6 -9" universe="1" />
+  <cell id="149" material="void" name="x = 8, y = 4, z = 1" region="25 -28 14 -17 6 -9" universe="1" />
+  <cell id="150" material="void" name="x = 9, y = 4, z = 1" region="28 -31 14 -17 6 -9" universe="1" />
+  <cell id="151" material="void" name="x = 0, y = 5, z = 1" region="1 -4 17 -20 6 -9" universe="1" />
+  <cell id="152" material="void" name="x = 1, y = 5, z = 1" region="4 -7 17 -20 6 -9" universe="1" />
+  <cell id="153" material="void" name="x = 2, y = 5, z = 1" region="7 -10 17 -20 6 -9" universe="1" />
+  <cell id="154" material="void" name="x = 3, y = 5, z = 1" region="10 -13 17 -20 6 -9" universe="1" />
+  <cell id="155" material="void" name="x = 4, y = 5, z = 1" region="13 -16 17 -20 6 -9" universe="1" />
+  <cell id="156" material="void" name="x = 5, y = 5, z = 1" region="16 -19 17 -20 6 -9" universe="1" />
+  <cell id="157" material="void" name="x = 6, y = 5, z = 1" region="19 -22 17 -20 6 -9" universe="1" />
+  <cell id="158" material="void" name="x = 7, y = 5, z = 1" region="22 -25 17 -20 6 -9" universe="1" />
+  <cell id="159" material="void" name="x = 8, y = 5, z = 1" region="25 -28 17 -20 6 -9" universe="1" />
+  <cell id="160" material="void" name="x = 9, y = 5, z = 1" region="28 -31 17 -20 6 -9" universe="1" />
+  <cell id="161" material="void" name="x = 0, y = 6, z = 1" region="1 -4 20 -23 6 -9" universe="1" />
+  <cell id="162" material="void" name="x = 1, y = 6, z = 1" region="4 -7 20 -23 6 -9" universe="1" />
+  <cell id="163" material="void" name="x = 2, y = 6, z = 1" region="7 -10 20 -23 6 -9" universe="1" />
+  <cell id="164" material="void" name="x = 3, y = 6, z = 1" region="10 -13 20 -23 6 -9" universe="1" />
+  <cell id="165" material="void" name="x = 4, y = 6, z = 1" region="13 -16 20 -23 6 -9" universe="1" />
+  <cell id="166" material="void" name="x = 5, y = 6, z = 1" region="16 -19 20 -23 6 -9" universe="1" />
+  <cell id="167" material="void" name="x = 6, y = 6, z = 1" region="19 -22 20 -23 6 -9" universe="1" />
+  <cell id="168" material="void" name="x = 7, y = 6, z = 1" region="22 -25 20 -23 6 -9" universe="1" />
+  <cell id="169" material="void" name="x = 8, y = 6, z = 1" region="25 -28 20 -23 6 -9" universe="1" />
+  <cell id="170" material="void" name="x = 9, y = 6, z = 1" region="28 -31 20 -23 6 -9" universe="1" />
+  <cell id="171" material="void" name="x = 0, y = 7, z = 1" region="1 -4 23 -26 6 -9" universe="1" />
+  <cell id="172" material="void" name="x = 1, y = 7, z = 1" region="4 -7 23 -26 6 -9" universe="1" />
+  <cell id="173" material="void" name="x = 2, y = 7, z = 1" region="7 -10 23 -26 6 -9" universe="1" />
+  <cell id="174" material="void" name="x = 3, y = 7, z = 1" region="10 -13 23 -26 6 -9" universe="1" />
+  <cell id="175" material="void" name="x = 4, y = 7, z = 1" region="13 -16 23 -26 6 -9" universe="1" />
+  <cell id="176" material="void" name="x = 5, y = 7, z = 1" region="16 -19 23 -26 6 -9" universe="1" />
+  <cell id="177" material="void" name="x = 6, y = 7, z = 1" region="19 -22 23 -26 6 -9" universe="1" />
+  <cell id="178" material="void" name="x = 7, y = 7, z = 1" region="22 -25 23 -26 6 -9" universe="1" />
+  <cell id="179" material="void" name="x = 8, y = 7, z = 1" region="25 -28 23 -26 6 -9" universe="1" />
+  <cell id="180" material="void" name="x = 9, y = 7, z = 1" region="28 -31 23 -26 6 -9" universe="1" />
+  <cell id="181" material="void" name="x = 0, y = 8, z = 1" region="1 -4 26 -29 6 -9" universe="1" />
+  <cell id="182" material="void" name="x = 1, y = 8, z = 1" region="4 -7 26 -29 6 -9" universe="1" />
+  <cell id="183" material="void" name="x = 2, y = 8, z = 1" region="7 -10 26 -29 6 -9" universe="1" />
+  <cell id="184" material="void" name="x = 3, y = 8, z = 1" region="10 -13 26 -29 6 -9" universe="1" />
+  <cell id="185" material="void" name="x = 4, y = 8, z = 1" region="13 -16 26 -29 6 -9" universe="1" />
+  <cell id="186" material="void" name="x = 5, y = 8, z = 1" region="16 -19 26 -29 6 -9" universe="1" />
+  <cell id="187" material="void" name="x = 6, y = 8, z = 1" region="19 -22 26 -29 6 -9" universe="1" />
+  <cell id="188" material="void" name="x = 7, y = 8, z = 1" region="22 -25 26 -29 6 -9" universe="1" />
+  <cell id="189" material="void" name="x = 8, y = 8, z = 1" region="25 -28 26 -29 6 -9" universe="1" />
+  <cell id="190" material="void" name="x = 9, y = 8, z = 1" region="28 -31 26 -29 6 -9" universe="1" />
+  <cell id="191" material="void" name="x = 0, y = 9, z = 1" region="1 -4 29 -32 6 -9" universe="1" />
+  <cell id="192" material="void" name="x = 1, y = 9, z = 1" region="4 -7 29 -32 6 -9" universe="1" />
+  <cell id="193" material="void" name="x = 2, y = 9, z = 1" region="7 -10 29 -32 6 -9" universe="1" />
+  <cell id="194" material="void" name="x = 3, y = 9, z = 1" region="10 -13 29 -32 6 -9" universe="1" />
+  <cell id="195" material="void" name="x = 4, y = 9, z = 1" region="13 -16 29 -32 6 -9" universe="1" />
+  <cell id="196" material="void" name="x = 5, y = 9, z = 1" region="16 -19 29 -32 6 -9" universe="1" />
+  <cell id="197" material="void" name="x = 6, y = 9, z = 1" region="19 -22 29 -32 6 -9" universe="1" />
+  <cell id="198" material="void" name="x = 7, y = 9, z = 1" region="22 -25 29 -32 6 -9" universe="1" />
+  <cell id="199" material="void" name="x = 8, y = 9, z = 1" region="25 -28 29 -32 6 -9" universe="1" />
+  <cell id="200" material="void" name="x = 9, y = 9, z = 1" region="28 -31 29 -32 6 -9" universe="1" />
+  <cell id="201" material="void" name="x = 0, y = 0, z = 2" region="1 -4 2 -5 9 -12" universe="1" />
+  <cell id="202" material="void" name="x = 1, y = 0, z = 2" region="4 -7 2 -5 9 -12" universe="1" />
+  <cell id="203" material="void" name="x = 2, y = 0, z = 2" region="7 -10 2 -5 9 -12" universe="1" />
+  <cell id="204" material="void" name="x = 3, y = 0, z = 2" region="10 -13 2 -5 9 -12" universe="1" />
+  <cell id="205" material="void" name="x = 4, y = 0, z = 2" region="13 -16 2 -5 9 -12" universe="1" />
+  <cell id="206" material="void" name="x = 5, y = 0, z = 2" region="16 -19 2 -5 9 -12" universe="1" />
+  <cell id="207" material="void" name="x = 6, y = 0, z = 2" region="19 -22 2 -5 9 -12" universe="1" />
+  <cell id="208" material="void" name="x = 7, y = 0, z = 2" region="22 -25 2 -5 9 -12" universe="1" />
+  <cell id="209" material="void" name="x = 8, y = 0, z = 2" region="25 -28 2 -5 9 -12" universe="1" />
+  <cell id="210" material="void" name="x = 9, y = 0, z = 2" region="28 -31 2 -5 9 -12" universe="1" />
+  <cell id="211" material="void" name="x = 0, y = 1, z = 2" region="1 -4 5 -8 9 -12" universe="1" />
+  <cell id="212" material="void" name="x = 1, y = 1, z = 2" region="4 -7 5 -8 9 -12" universe="1" />
+  <cell id="213" material="void" name="x = 2, y = 1, z = 2" region="7 -10 5 -8 9 -12" universe="1" />
+  <cell id="214" material="void" name="x = 3, y = 1, z = 2" region="10 -13 5 -8 9 -12" universe="1" />
+  <cell id="215" material="void" name="x = 4, y = 1, z = 2" region="13 -16 5 -8 9 -12" universe="1" />
+  <cell id="216" material="void" name="x = 5, y = 1, z = 2" region="16 -19 5 -8 9 -12" universe="1" />
+  <cell id="217" material="void" name="x = 6, y = 1, z = 2" region="19 -22 5 -8 9 -12" universe="1" />
+  <cell id="218" material="void" name="x = 7, y = 1, z = 2" region="22 -25 5 -8 9 -12" universe="1" />
+  <cell id="219" material="void" name="x = 8, y = 1, z = 2" region="25 -28 5 -8 9 -12" universe="1" />
+  <cell id="220" material="void" name="x = 9, y = 1, z = 2" region="28 -31 5 -8 9 -12" universe="1" />
+  <cell id="221" material="void" name="x = 0, y = 2, z = 2" region="1 -4 8 -11 9 -12" universe="1" />
+  <cell id="222" material="void" name="x = 1, y = 2, z = 2" region="4 -7 8 -11 9 -12" universe="1" />
+  <cell id="223" material="void" name="x = 2, y = 2, z = 2" region="7 -10 8 -11 9 -12" universe="1" />
+  <cell id="224" material="void" name="x = 3, y = 2, z = 2" region="10 -13 8 -11 9 -12" universe="1" />
+  <cell id="225" material="void" name="x = 4, y = 2, z = 2" region="13 -16 8 -11 9 -12" universe="1" />
+  <cell id="226" material="void" name="x = 5, y = 2, z = 2" region="16 -19 8 -11 9 -12" universe="1" />
+  <cell id="227" material="void" name="x = 6, y = 2, z = 2" region="19 -22 8 -11 9 -12" universe="1" />
+  <cell id="228" material="void" name="x = 7, y = 2, z = 2" region="22 -25 8 -11 9 -12" universe="1" />
+  <cell id="229" material="void" name="x = 8, y = 2, z = 2" region="25 -28 8 -11 9 -12" universe="1" />
+  <cell id="230" material="void" name="x = 9, y = 2, z = 2" region="28 -31 8 -11 9 -12" universe="1" />
+  <cell id="231" material="void" name="x = 0, y = 3, z = 2" region="1 -4 11 -14 9 -12" universe="1" />
+  <cell id="232" material="void" name="x = 1, y = 3, z = 2" region="4 -7 11 -14 9 -12" universe="1" />
+  <cell id="233" material="void" name="x = 2, y = 3, z = 2" region="7 -10 11 -14 9 -12" universe="1" />
+  <cell id="234" material="void" name="x = 3, y = 3, z = 2" region="10 -13 11 -14 9 -12" universe="1" />
+  <cell id="235" material="void" name="x = 4, y = 3, z = 2" region="13 -16 11 -14 9 -12" universe="1" />
+  <cell id="236" material="void" name="x = 5, y = 3, z = 2" region="16 -19 11 -14 9 -12" universe="1" />
+  <cell id="237" material="void" name="x = 6, y = 3, z = 2" region="19 -22 11 -14 9 -12" universe="1" />
+  <cell id="238" material="void" name="x = 7, y = 3, z = 2" region="22 -25 11 -14 9 -12" universe="1" />
+  <cell id="239" material="void" name="x = 8, y = 3, z = 2" region="25 -28 11 -14 9 -12" universe="1" />
+  <cell id="240" material="void" name="x = 9, y = 3, z = 2" region="28 -31 11 -14 9 -12" universe="1" />
+  <cell id="241" material="void" name="x = 0, y = 4, z = 2" region="1 -4 14 -17 9 -12" universe="1" />
+  <cell id="242" material="void" name="x = 1, y = 4, z = 2" region="4 -7 14 -17 9 -12" universe="1" />
+  <cell id="243" material="void" name="x = 2, y = 4, z = 2" region="7 -10 14 -17 9 -12" universe="1" />
+  <cell id="244" material="void" name="x = 3, y = 4, z = 2" region="10 -13 14 -17 9 -12" universe="1" />
+  <cell id="245" material="void" name="x = 4, y = 4, z = 2" region="13 -16 14 -17 9 -12" universe="1" />
+  <cell id="246" material="void" name="x = 5, y = 4, z = 2" region="16 -19 14 -17 9 -12" universe="1" />
+  <cell id="247" material="void" name="x = 6, y = 4, z = 2" region="19 -22 14 -17 9 -12" universe="1" />
+  <cell id="248" material="void" name="x = 7, y = 4, z = 2" region="22 -25 14 -17 9 -12" universe="1" />
+  <cell id="249" material="void" name="x = 8, y = 4, z = 2" region="25 -28 14 -17 9 -12" universe="1" />
+  <cell id="250" material="void" name="x = 9, y = 4, z = 2" region="28 -31 14 -17 9 -12" universe="1" />
+  <cell id="251" material="void" name="x = 0, y = 5, z = 2" region="1 -4 17 -20 9 -12" universe="1" />
+  <cell id="252" material="void" name="x = 1, y = 5, z = 2" region="4 -7 17 -20 9 -12" universe="1" />
+  <cell id="253" material="void" name="x = 2, y = 5, z = 2" region="7 -10 17 -20 9 -12" universe="1" />
+  <cell id="254" material="void" name="x = 3, y = 5, z = 2" region="10 -13 17 -20 9 -12" universe="1" />
+  <cell id="255" material="void" name="x = 4, y = 5, z = 2" region="13 -16 17 -20 9 -12" universe="1" />
+  <cell id="256" material="void" name="x = 5, y = 5, z = 2" region="16 -19 17 -20 9 -12" universe="1" />
+  <cell id="257" material="void" name="x = 6, y = 5, z = 2" region="19 -22 17 -20 9 -12" universe="1" />
+  <cell id="258" material="void" name="x = 7, y = 5, z = 2" region="22 -25 17 -20 9 -12" universe="1" />
+  <cell id="259" material="void" name="x = 8, y = 5, z = 2" region="25 -28 17 -20 9 -12" universe="1" />
+  <cell id="260" material="void" name="x = 9, y = 5, z = 2" region="28 -31 17 -20 9 -12" universe="1" />
+  <cell id="261" material="void" name="x = 0, y = 6, z = 2" region="1 -4 20 -23 9 -12" universe="1" />
+  <cell id="262" material="void" name="x = 1, y = 6, z = 2" region="4 -7 20 -23 9 -12" universe="1" />
+  <cell id="263" material="void" name="x = 2, y = 6, z = 2" region="7 -10 20 -23 9 -12" universe="1" />
+  <cell id="264" material="void" name="x = 3, y = 6, z = 2" region="10 -13 20 -23 9 -12" universe="1" />
+  <cell id="265" material="void" name="x = 4, y = 6, z = 2" region="13 -16 20 -23 9 -12" universe="1" />
+  <cell id="266" material="void" name="x = 5, y = 6, z = 2" region="16 -19 20 -23 9 -12" universe="1" />
+  <cell id="267" material="void" name="x = 6, y = 6, z = 2" region="19 -22 20 -23 9 -12" universe="1" />
+  <cell id="268" material="void" name="x = 7, y = 6, z = 2" region="22 -25 20 -23 9 -12" universe="1" />
+  <cell id="269" material="void" name="x = 8, y = 6, z = 2" region="25 -28 20 -23 9 -12" universe="1" />
+  <cell id="270" material="void" name="x = 9, y = 6, z = 2" region="28 -31 20 -23 9 -12" universe="1" />
+  <cell id="271" material="void" name="x = 0, y = 7, z = 2" region="1 -4 23 -26 9 -12" universe="1" />
+  <cell id="272" material="void" name="x = 1, y = 7, z = 2" region="4 -7 23 -26 9 -12" universe="1" />
+  <cell id="273" material="void" name="x = 2, y = 7, z = 2" region="7 -10 23 -26 9 -12" universe="1" />
+  <cell id="274" material="void" name="x = 3, y = 7, z = 2" region="10 -13 23 -26 9 -12" universe="1" />
+  <cell id="275" material="void" name="x = 4, y = 7, z = 2" region="13 -16 23 -26 9 -12" universe="1" />
+  <cell id="276" material="void" name="x = 5, y = 7, z = 2" region="16 -19 23 -26 9 -12" universe="1" />
+  <cell id="277" material="void" name="x = 6, y = 7, z = 2" region="19 -22 23 -26 9 -12" universe="1" />
+  <cell id="278" material="void" name="x = 7, y = 7, z = 2" region="22 -25 23 -26 9 -12" universe="1" />
+  <cell id="279" material="void" name="x = 8, y = 7, z = 2" region="25 -28 23 -26 9 -12" universe="1" />
+  <cell id="280" material="void" name="x = 9, y = 7, z = 2" region="28 -31 23 -26 9 -12" universe="1" />
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+  <cell id="408" material="void" name="x = 7, y = 0, z = 4" region="22 -25 2 -5 15 -18" universe="1" />
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+  <cell id="709" material="void" name="x = 8, y = 0, z = 7" region="25 -28 2 -5 24 -27" universe="1" />
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+  <cell id="995" material="void" name="x = 4, y = 9, z = 9" region="13 -16 29 -32 30 -33" universe="1" />
+  <cell id="996" material="void" name="x = 5, y = 9, z = 9" region="16 -19 29 -32 30 -33" universe="1" />
+  <cell id="997" material="void" name="x = 6, y = 9, z = 9" region="19 -22 29 -32 30 -33" universe="1" />
+  <cell id="998" material="void" name="x = 7, y = 9, z = 9" region="22 -25 29 -32 30 -33" universe="1" />
+  <cell id="999" material="void" name="x = 8, y = 9, z = 9" region="25 -28 29 -32 30 -33" universe="1" />
+  <cell id="1000" material="void" name="x = 9, y = 9, z = 9" region="28 -31 29 -32 30 -33" universe="1" />
   <surface boundary="vacuum" coeffs="-10.0" id="1" name="X plane at -10.0" type="x-plane" />
   <surface boundary="vacuum" coeffs="-10.0" id="2" name="Y plane at -10.0" type="y-plane" />
   <surface boundary="vacuum" coeffs="-10.0" id="3" name="Z plane at -10.0" type="z-plane" />
@@ -1048,7 +1048,7 @@
   <particles>5000</particles>
   <batches>2</batches>
   <source strength="1.0">
-    <space mesh_id="1" type="mesh" volume_weighting="True" />
+    <space mesh_id="1" type="mesh" volume_normalized="True" />
     <energy type="discrete">
       <parameters>15000000.0 1.0</parameters>
     </energy>
diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true3.dat b/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true3.dat
index 271ef9b1b..5003e7b1b 100644
--- a/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true3.dat
+++ b/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true3.dat
@@ -1,1005 +1,1005 @@
 <?xml version='1.0' encoding='utf-8'?>
 <geometry>
-  <cell id="1" material="3" name="x 0 y 0 z 0" region="1 -4 2 -5 3 -6" universe="1" />
-  <cell id="2" material="3" name="x 1 y 0 z 0" region="4 -7 2 -5 3 -6" universe="1" />
-  <cell id="3" material="3" name="x 2 y 0 z 0" region="7 -10 2 -5 3 -6" universe="1" />
-  <cell id="4" material="3" name="x 3 y 0 z 0" region="10 -13 2 -5 3 -6" universe="1" />
-  <cell id="5" material="3" name="x 4 y 0 z 0" region="13 -16 2 -5 3 -6" universe="1" />
-  <cell id="6" material="3" name="x 5 y 0 z 0" region="16 -19 2 -5 3 -6" universe="1" />
-  <cell id="7" material="3" name="x 6 y 0 z 0" region="19 -22 2 -5 3 -6" universe="1" />
-  <cell id="8" material="3" name="x 7 y 0 z 0" region="22 -25 2 -5 3 -6" universe="1" />
-  <cell id="9" material="3" name="x 8 y 0 z 0" region="25 -28 2 -5 3 -6" universe="1" />
-  <cell id="10" material="3" name="x 9 y 0 z 0" region="28 -31 2 -5 3 -6" universe="1" />
-  <cell id="11" material="3" name="x 0 y 1 z 0" region="1 -4 5 -8 3 -6" universe="1" />
-  <cell id="12" material="3" name="x 1 y 1 z 0" region="4 -7 5 -8 3 -6" universe="1" />
-  <cell id="13" material="3" name="x 2 y 1 z 0" region="7 -10 5 -8 3 -6" universe="1" />
-  <cell id="14" material="3" name="x 3 y 1 z 0" region="10 -13 5 -8 3 -6" universe="1" />
-  <cell id="15" material="3" name="x 4 y 1 z 0" region="13 -16 5 -8 3 -6" universe="1" />
-  <cell id="16" material="3" name="x 5 y 1 z 0" region="16 -19 5 -8 3 -6" universe="1" />
-  <cell id="17" material="3" name="x 6 y 1 z 0" region="19 -22 5 -8 3 -6" universe="1" />
-  <cell id="18" material="3" name="x 7 y 1 z 0" region="22 -25 5 -8 3 -6" universe="1" />
-  <cell id="19" material="3" name="x 8 y 1 z 0" region="25 -28 5 -8 3 -6" universe="1" />
-  <cell id="20" material="3" name="x 9 y 1 z 0" region="28 -31 5 -8 3 -6" universe="1" />
-  <cell id="21" material="3" name="x 0 y 2 z 0" region="1 -4 8 -11 3 -6" universe="1" />
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-  <cell id="30" material="3" name="x 9 y 2 z 0" region="28 -31 8 -11 3 -6" universe="1" />
-  <cell id="31" material="3" name="x 0 y 3 z 0" region="1 -4 11 -14 3 -6" universe="1" />
-  <cell id="32" material="3" name="x 1 y 3 z 0" region="4 -7 11 -14 3 -6" universe="1" />
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-  <cell id="37" material="3" name="x 6 y 3 z 0" region="19 -22 11 -14 3 -6" universe="1" />
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-  <cell id="993" material="3" name="x 2 y 9 z 9" region="7 -10 29 -32 30 -33" universe="1" />
-  <cell id="994" material="3" name="x 3 y 9 z 9" region="10 -13 29 -32 30 -33" universe="1" />
-  <cell id="995" material="3" name="x 4 y 9 z 9" region="13 -16 29 -32 30 -33" universe="1" />
-  <cell id="996" material="3" name="x 5 y 9 z 9" region="16 -19 29 -32 30 -33" universe="1" />
-  <cell id="997" material="3" name="x 6 y 9 z 9" region="19 -22 29 -32 30 -33" universe="1" />
-  <cell id="998" material="3" name="x 7 y 9 z 9" region="22 -25 29 -32 30 -33" universe="1" />
-  <cell id="999" material="3" name="x 8 y 9 z 9" region="25 -28 29 -32 30 -33" universe="1" />
-  <cell id="1000" material="3" name="x 9 y 9 z 9" region="28 -31 29 -32 30 -33" universe="1" />
+  <cell id="1" material="void" name="x = 0, y = 0, z = 0" region="1 -4 2 -5 3 -6" universe="1" />
+  <cell id="2" material="void" name="x = 1, y = 0, z = 0" region="4 -7 2 -5 3 -6" universe="1" />
+  <cell id="3" material="void" name="x = 2, y = 0, z = 0" region="7 -10 2 -5 3 -6" universe="1" />
+  <cell id="4" material="void" name="x = 3, y = 0, z = 0" region="10 -13 2 -5 3 -6" universe="1" />
+  <cell id="5" material="void" name="x = 4, y = 0, z = 0" region="13 -16 2 -5 3 -6" universe="1" />
+  <cell id="6" material="void" name="x = 5, y = 0, z = 0" region="16 -19 2 -5 3 -6" universe="1" />
+  <cell id="7" material="void" name="x = 6, y = 0, z = 0" region="19 -22 2 -5 3 -6" universe="1" />
+  <cell id="8" material="void" name="x = 7, y = 0, z = 0" region="22 -25 2 -5 3 -6" universe="1" />
+  <cell id="9" material="void" name="x = 8, y = 0, z = 0" region="25 -28 2 -5 3 -6" universe="1" />
+  <cell id="10" material="void" name="x = 9, y = 0, z = 0" region="28 -31 2 -5 3 -6" universe="1" />
+  <cell id="11" material="void" name="x = 0, y = 1, z = 0" region="1 -4 5 -8 3 -6" universe="1" />
+  <cell id="12" material="void" name="x = 1, y = 1, z = 0" region="4 -7 5 -8 3 -6" universe="1" />
+  <cell id="13" material="void" name="x = 2, y = 1, z = 0" region="7 -10 5 -8 3 -6" universe="1" />
+  <cell id="14" material="void" name="x = 3, y = 1, z = 0" region="10 -13 5 -8 3 -6" universe="1" />
+  <cell id="15" material="void" name="x = 4, y = 1, z = 0" region="13 -16 5 -8 3 -6" universe="1" />
+  <cell id="16" material="void" name="x = 5, y = 1, z = 0" region="16 -19 5 -8 3 -6" universe="1" />
+  <cell id="17" material="void" name="x = 6, y = 1, z = 0" region="19 -22 5 -8 3 -6" universe="1" />
+  <cell id="18" material="void" name="x = 7, y = 1, z = 0" region="22 -25 5 -8 3 -6" universe="1" />
+  <cell id="19" material="void" name="x = 8, y = 1, z = 0" region="25 -28 5 -8 3 -6" universe="1" />
+  <cell id="20" material="void" name="x = 9, y = 1, z = 0" region="28 -31 5 -8 3 -6" universe="1" />
+  <cell id="21" material="void" name="x = 0, y = 2, z = 0" region="1 -4 8 -11 3 -6" universe="1" />
+  <cell id="22" material="void" name="x = 1, y = 2, z = 0" region="4 -7 8 -11 3 -6" universe="1" />
+  <cell id="23" material="void" name="x = 2, y = 2, z = 0" region="7 -10 8 -11 3 -6" universe="1" />
+  <cell id="24" material="void" name="x = 3, y = 2, z = 0" region="10 -13 8 -11 3 -6" universe="1" />
+  <cell id="25" material="void" name="x = 4, y = 2, z = 0" region="13 -16 8 -11 3 -6" universe="1" />
+  <cell id="26" material="void" name="x = 5, y = 2, z = 0" region="16 -19 8 -11 3 -6" universe="1" />
+  <cell id="27" material="void" name="x = 6, y = 2, z = 0" region="19 -22 8 -11 3 -6" universe="1" />
+  <cell id="28" material="void" name="x = 7, y = 2, z = 0" region="22 -25 8 -11 3 -6" universe="1" />
+  <cell id="29" material="void" name="x = 8, y = 2, z = 0" region="25 -28 8 -11 3 -6" universe="1" />
+  <cell id="30" material="void" name="x = 9, y = 2, z = 0" region="28 -31 8 -11 3 -6" universe="1" />
+  <cell id="31" material="void" name="x = 0, y = 3, z = 0" region="1 -4 11 -14 3 -6" universe="1" />
+  <cell id="32" material="void" name="x = 1, y = 3, z = 0" region="4 -7 11 -14 3 -6" universe="1" />
+  <cell id="33" material="void" name="x = 2, y = 3, z = 0" region="7 -10 11 -14 3 -6" universe="1" />
+  <cell id="34" material="void" name="x = 3, y = 3, z = 0" region="10 -13 11 -14 3 -6" universe="1" />
+  <cell id="35" material="void" name="x = 4, y = 3, z = 0" region="13 -16 11 -14 3 -6" universe="1" />
+  <cell id="36" material="void" name="x = 5, y = 3, z = 0" region="16 -19 11 -14 3 -6" universe="1" />
+  <cell id="37" material="void" name="x = 6, y = 3, z = 0" region="19 -22 11 -14 3 -6" universe="1" />
+  <cell id="38" material="void" name="x = 7, y = 3, z = 0" region="22 -25 11 -14 3 -6" universe="1" />
+  <cell id="39" material="void" name="x = 8, y = 3, z = 0" region="25 -28 11 -14 3 -6" universe="1" />
+  <cell id="40" material="void" name="x = 9, y = 3, z = 0" region="28 -31 11 -14 3 -6" universe="1" />
+  <cell id="41" material="void" name="x = 0, y = 4, z = 0" region="1 -4 14 -17 3 -6" universe="1" />
+  <cell id="42" material="void" name="x = 1, y = 4, z = 0" region="4 -7 14 -17 3 -6" universe="1" />
+  <cell id="43" material="void" name="x = 2, y = 4, z = 0" region="7 -10 14 -17 3 -6" universe="1" />
+  <cell id="44" material="void" name="x = 3, y = 4, z = 0" region="10 -13 14 -17 3 -6" universe="1" />
+  <cell id="45" material="void" name="x = 4, y = 4, z = 0" region="13 -16 14 -17 3 -6" universe="1" />
+  <cell id="46" material="void" name="x = 5, y = 4, z = 0" region="16 -19 14 -17 3 -6" universe="1" />
+  <cell id="47" material="void" name="x = 6, y = 4, z = 0" region="19 -22 14 -17 3 -6" universe="1" />
+  <cell id="48" material="void" name="x = 7, y = 4, z = 0" region="22 -25 14 -17 3 -6" universe="1" />
+  <cell id="49" material="void" name="x = 8, y = 4, z = 0" region="25 -28 14 -17 3 -6" universe="1" />
+  <cell id="50" material="void" name="x = 9, y = 4, z = 0" region="28 -31 14 -17 3 -6" universe="1" />
+  <cell id="51" material="void" name="x = 0, y = 5, z = 0" region="1 -4 17 -20 3 -6" universe="1" />
+  <cell id="52" material="void" name="x = 1, y = 5, z = 0" region="4 -7 17 -20 3 -6" universe="1" />
+  <cell id="53" material="void" name="x = 2, y = 5, z = 0" region="7 -10 17 -20 3 -6" universe="1" />
+  <cell id="54" material="void" name="x = 3, y = 5, z = 0" region="10 -13 17 -20 3 -6" universe="1" />
+  <cell id="55" material="void" name="x = 4, y = 5, z = 0" region="13 -16 17 -20 3 -6" universe="1" />
+  <cell id="56" material="void" name="x = 5, y = 5, z = 0" region="16 -19 17 -20 3 -6" universe="1" />
+  <cell id="57" material="void" name="x = 6, y = 5, z = 0" region="19 -22 17 -20 3 -6" universe="1" />
+  <cell id="58" material="void" name="x = 7, y = 5, z = 0" region="22 -25 17 -20 3 -6" universe="1" />
+  <cell id="59" material="void" name="x = 8, y = 5, z = 0" region="25 -28 17 -20 3 -6" universe="1" />
+  <cell id="60" material="void" name="x = 9, y = 5, z = 0" region="28 -31 17 -20 3 -6" universe="1" />
+  <cell id="61" material="void" name="x = 0, y = 6, z = 0" region="1 -4 20 -23 3 -6" universe="1" />
+  <cell id="62" material="void" name="x = 1, y = 6, z = 0" region="4 -7 20 -23 3 -6" universe="1" />
+  <cell id="63" material="void" name="x = 2, y = 6, z = 0" region="7 -10 20 -23 3 -6" universe="1" />
+  <cell id="64" material="void" name="x = 3, y = 6, z = 0" region="10 -13 20 -23 3 -6" universe="1" />
+  <cell id="65" material="void" name="x = 4, y = 6, z = 0" region="13 -16 20 -23 3 -6" universe="1" />
+  <cell id="66" material="void" name="x = 5, y = 6, z = 0" region="16 -19 20 -23 3 -6" universe="1" />
+  <cell id="67" material="void" name="x = 6, y = 6, z = 0" region="19 -22 20 -23 3 -6" universe="1" />
+  <cell id="68" material="void" name="x = 7, y = 6, z = 0" region="22 -25 20 -23 3 -6" universe="1" />
+  <cell id="69" material="void" name="x = 8, y = 6, z = 0" region="25 -28 20 -23 3 -6" universe="1" />
+  <cell id="70" material="void" name="x = 9, y = 6, z = 0" region="28 -31 20 -23 3 -6" universe="1" />
+  <cell id="71" material="void" name="x = 0, y = 7, z = 0" region="1 -4 23 -26 3 -6" universe="1" />
+  <cell id="72" material="void" name="x = 1, y = 7, z = 0" region="4 -7 23 -26 3 -6" universe="1" />
+  <cell id="73" material="void" name="x = 2, y = 7, z = 0" region="7 -10 23 -26 3 -6" universe="1" />
+  <cell id="74" material="void" name="x = 3, y = 7, z = 0" region="10 -13 23 -26 3 -6" universe="1" />
+  <cell id="75" material="void" name="x = 4, y = 7, z = 0" region="13 -16 23 -26 3 -6" universe="1" />
+  <cell id="76" material="void" name="x = 5, y = 7, z = 0" region="16 -19 23 -26 3 -6" universe="1" />
+  <cell id="77" material="void" name="x = 6, y = 7, z = 0" region="19 -22 23 -26 3 -6" universe="1" />
+  <cell id="78" material="void" name="x = 7, y = 7, z = 0" region="22 -25 23 -26 3 -6" universe="1" />
+  <cell id="79" material="void" name="x = 8, y = 7, z = 0" region="25 -28 23 -26 3 -6" universe="1" />
+  <cell id="80" material="void" name="x = 9, y = 7, z = 0" region="28 -31 23 -26 3 -6" universe="1" />
+  <cell id="81" material="void" name="x = 0, y = 8, z = 0" region="1 -4 26 -29 3 -6" universe="1" />
+  <cell id="82" material="void" name="x = 1, y = 8, z = 0" region="4 -7 26 -29 3 -6" universe="1" />
+  <cell id="83" material="void" name="x = 2, y = 8, z = 0" region="7 -10 26 -29 3 -6" universe="1" />
+  <cell id="84" material="void" name="x = 3, y = 8, z = 0" region="10 -13 26 -29 3 -6" universe="1" />
+  <cell id="85" material="void" name="x = 4, y = 8, z = 0" region="13 -16 26 -29 3 -6" universe="1" />
+  <cell id="86" material="void" name="x = 5, y = 8, z = 0" region="16 -19 26 -29 3 -6" universe="1" />
+  <cell id="87" material="void" name="x = 6, y = 8, z = 0" region="19 -22 26 -29 3 -6" universe="1" />
+  <cell id="88" material="void" name="x = 7, y = 8, z = 0" region="22 -25 26 -29 3 -6" universe="1" />
+  <cell id="89" material="void" name="x = 8, y = 8, z = 0" region="25 -28 26 -29 3 -6" universe="1" />
+  <cell id="90" material="void" name="x = 9, y = 8, z = 0" region="28 -31 26 -29 3 -6" universe="1" />
+  <cell id="91" material="void" name="x = 0, y = 9, z = 0" region="1 -4 29 -32 3 -6" universe="1" />
+  <cell id="92" material="void" name="x = 1, y = 9, z = 0" region="4 -7 29 -32 3 -6" universe="1" />
+  <cell id="93" material="void" name="x = 2, y = 9, z = 0" region="7 -10 29 -32 3 -6" universe="1" />
+  <cell id="94" material="void" name="x = 3, y = 9, z = 0" region="10 -13 29 -32 3 -6" universe="1" />
+  <cell id="95" material="void" name="x = 4, y = 9, z = 0" region="13 -16 29 -32 3 -6" universe="1" />
+  <cell id="96" material="void" name="x = 5, y = 9, z = 0" region="16 -19 29 -32 3 -6" universe="1" />
+  <cell id="97" material="void" name="x = 6, y = 9, z = 0" region="19 -22 29 -32 3 -6" universe="1" />
+  <cell id="98" material="void" name="x = 7, y = 9, z = 0" region="22 -25 29 -32 3 -6" universe="1" />
+  <cell id="99" material="void" name="x = 8, y = 9, z = 0" region="25 -28 29 -32 3 -6" universe="1" />
+  <cell id="100" material="void" name="x = 9, y = 9, z = 0" region="28 -31 29 -32 3 -6" universe="1" />
+  <cell id="101" material="void" name="x = 0, y = 0, z = 1" region="1 -4 2 -5 6 -9" universe="1" />
+  <cell id="102" material="void" name="x = 1, y = 0, z = 1" region="4 -7 2 -5 6 -9" universe="1" />
+  <cell id="103" material="void" name="x = 2, y = 0, z = 1" region="7 -10 2 -5 6 -9" universe="1" />
+  <cell id="104" material="void" name="x = 3, y = 0, z = 1" region="10 -13 2 -5 6 -9" universe="1" />
+  <cell id="105" material="void" name="x = 4, y = 0, z = 1" region="13 -16 2 -5 6 -9" universe="1" />
+  <cell id="106" material="void" name="x = 5, y = 0, z = 1" region="16 -19 2 -5 6 -9" universe="1" />
+  <cell id="107" material="void" name="x = 6, y = 0, z = 1" region="19 -22 2 -5 6 -9" universe="1" />
+  <cell id="108" material="void" name="x = 7, y = 0, z = 1" region="22 -25 2 -5 6 -9" universe="1" />
+  <cell id="109" material="void" name="x = 8, y = 0, z = 1" region="25 -28 2 -5 6 -9" universe="1" />
+  <cell id="110" material="void" name="x = 9, y = 0, z = 1" region="28 -31 2 -5 6 -9" universe="1" />
+  <cell id="111" material="void" name="x = 0, y = 1, z = 1" region="1 -4 5 -8 6 -9" universe="1" />
+  <cell id="112" material="void" name="x = 1, y = 1, z = 1" region="4 -7 5 -8 6 -9" universe="1" />
+  <cell id="113" material="void" name="x = 2, y = 1, z = 1" region="7 -10 5 -8 6 -9" universe="1" />
+  <cell id="114" material="void" name="x = 3, y = 1, z = 1" region="10 -13 5 -8 6 -9" universe="1" />
+  <cell id="115" material="void" name="x = 4, y = 1, z = 1" region="13 -16 5 -8 6 -9" universe="1" />
+  <cell id="116" material="void" name="x = 5, y = 1, z = 1" region="16 -19 5 -8 6 -9" universe="1" />
+  <cell id="117" material="void" name="x = 6, y = 1, z = 1" region="19 -22 5 -8 6 -9" universe="1" />
+  <cell id="118" material="void" name="x = 7, y = 1, z = 1" region="22 -25 5 -8 6 -9" universe="1" />
+  <cell id="119" material="void" name="x = 8, y = 1, z = 1" region="25 -28 5 -8 6 -9" universe="1" />
+  <cell id="120" material="void" name="x = 9, y = 1, z = 1" region="28 -31 5 -8 6 -9" universe="1" />
+  <cell id="121" material="void" name="x = 0, y = 2, z = 1" region="1 -4 8 -11 6 -9" universe="1" />
+  <cell id="122" material="void" name="x = 1, y = 2, z = 1" region="4 -7 8 -11 6 -9" universe="1" />
+  <cell id="123" material="void" name="x = 2, y = 2, z = 1" region="7 -10 8 -11 6 -9" universe="1" />
+  <cell id="124" material="void" name="x = 3, y = 2, z = 1" region="10 -13 8 -11 6 -9" universe="1" />
+  <cell id="125" material="void" name="x = 4, y = 2, z = 1" region="13 -16 8 -11 6 -9" universe="1" />
+  <cell id="126" material="void" name="x = 5, y = 2, z = 1" region="16 -19 8 -11 6 -9" universe="1" />
+  <cell id="127" material="void" name="x = 6, y = 2, z = 1" region="19 -22 8 -11 6 -9" universe="1" />
+  <cell id="128" material="void" name="x = 7, y = 2, z = 1" region="22 -25 8 -11 6 -9" universe="1" />
+  <cell id="129" material="void" name="x = 8, y = 2, z = 1" region="25 -28 8 -11 6 -9" universe="1" />
+  <cell id="130" material="void" name="x = 9, y = 2, z = 1" region="28 -31 8 -11 6 -9" universe="1" />
+  <cell id="131" material="void" name="x = 0, y = 3, z = 1" region="1 -4 11 -14 6 -9" universe="1" />
+  <cell id="132" material="void" name="x = 1, y = 3, z = 1" region="4 -7 11 -14 6 -9" universe="1" />
+  <cell id="133" material="void" name="x = 2, y = 3, z = 1" region="7 -10 11 -14 6 -9" universe="1" />
+  <cell id="134" material="void" name="x = 3, y = 3, z = 1" region="10 -13 11 -14 6 -9" universe="1" />
+  <cell id="135" material="void" name="x = 4, y = 3, z = 1" region="13 -16 11 -14 6 -9" universe="1" />
+  <cell id="136" material="void" name="x = 5, y = 3, z = 1" region="16 -19 11 -14 6 -9" universe="1" />
+  <cell id="137" material="void" name="x = 6, y = 3, z = 1" region="19 -22 11 -14 6 -9" universe="1" />
+  <cell id="138" material="void" name="x = 7, y = 3, z = 1" region="22 -25 11 -14 6 -9" universe="1" />
+  <cell id="139" material="void" name="x = 8, y = 3, z = 1" region="25 -28 11 -14 6 -9" universe="1" />
+  <cell id="140" material="void" name="x = 9, y = 3, z = 1" region="28 -31 11 -14 6 -9" universe="1" />
+  <cell id="141" material="void" name="x = 0, y = 4, z = 1" region="1 -4 14 -17 6 -9" universe="1" />
+  <cell id="142" material="void" name="x = 1, y = 4, z = 1" region="4 -7 14 -17 6 -9" universe="1" />
+  <cell id="143" material="void" name="x = 2, y = 4, z = 1" region="7 -10 14 -17 6 -9" universe="1" />
+  <cell id="144" material="void" name="x = 3, y = 4, z = 1" region="10 -13 14 -17 6 -9" universe="1" />
+  <cell id="145" material="void" name="x = 4, y = 4, z = 1" region="13 -16 14 -17 6 -9" universe="1" />
+  <cell id="146" material="void" name="x = 5, y = 4, z = 1" region="16 -19 14 -17 6 -9" universe="1" />
+  <cell id="147" material="void" name="x = 6, y = 4, z = 1" region="19 -22 14 -17 6 -9" universe="1" />
+  <cell id="148" material="void" name="x = 7, y = 4, z = 1" region="22 -25 14 -17 6 -9" universe="1" />
+  <cell id="149" material="void" name="x = 8, y = 4, z = 1" region="25 -28 14 -17 6 -9" universe="1" />
+  <cell id="150" material="void" name="x = 9, y = 4, z = 1" region="28 -31 14 -17 6 -9" universe="1" />
+  <cell id="151" material="void" name="x = 0, y = 5, z = 1" region="1 -4 17 -20 6 -9" universe="1" />
+  <cell id="152" material="void" name="x = 1, y = 5, z = 1" region="4 -7 17 -20 6 -9" universe="1" />
+  <cell id="153" material="void" name="x = 2, y = 5, z = 1" region="7 -10 17 -20 6 -9" universe="1" />
+  <cell id="154" material="void" name="x = 3, y = 5, z = 1" region="10 -13 17 -20 6 -9" universe="1" />
+  <cell id="155" material="void" name="x = 4, y = 5, z = 1" region="13 -16 17 -20 6 -9" universe="1" />
+  <cell id="156" material="void" name="x = 5, y = 5, z = 1" region="16 -19 17 -20 6 -9" universe="1" />
+  <cell id="157" material="void" name="x = 6, y = 5, z = 1" region="19 -22 17 -20 6 -9" universe="1" />
+  <cell id="158" material="void" name="x = 7, y = 5, z = 1" region="22 -25 17 -20 6 -9" universe="1" />
+  <cell id="159" material="void" name="x = 8, y = 5, z = 1" region="25 -28 17 -20 6 -9" universe="1" />
+  <cell id="160" material="void" name="x = 9, y = 5, z = 1" region="28 -31 17 -20 6 -9" universe="1" />
+  <cell id="161" material="void" name="x = 0, y = 6, z = 1" region="1 -4 20 -23 6 -9" universe="1" />
+  <cell id="162" material="void" name="x = 1, y = 6, z = 1" region="4 -7 20 -23 6 -9" universe="1" />
+  <cell id="163" material="void" name="x = 2, y = 6, z = 1" region="7 -10 20 -23 6 -9" universe="1" />
+  <cell id="164" material="void" name="x = 3, y = 6, z = 1" region="10 -13 20 -23 6 -9" universe="1" />
+  <cell id="165" material="void" name="x = 4, y = 6, z = 1" region="13 -16 20 -23 6 -9" universe="1" />
+  <cell id="166" material="void" name="x = 5, y = 6, z = 1" region="16 -19 20 -23 6 -9" universe="1" />
+  <cell id="167" material="void" name="x = 6, y = 6, z = 1" region="19 -22 20 -23 6 -9" universe="1" />
+  <cell id="168" material="void" name="x = 7, y = 6, z = 1" region="22 -25 20 -23 6 -9" universe="1" />
+  <cell id="169" material="void" name="x = 8, y = 6, z = 1" region="25 -28 20 -23 6 -9" universe="1" />
+  <cell id="170" material="void" name="x = 9, y = 6, z = 1" region="28 -31 20 -23 6 -9" universe="1" />
+  <cell id="171" material="void" name="x = 0, y = 7, z = 1" region="1 -4 23 -26 6 -9" universe="1" />
+  <cell id="172" material="void" name="x = 1, y = 7, z = 1" region="4 -7 23 -26 6 -9" universe="1" />
+  <cell id="173" material="void" name="x = 2, y = 7, z = 1" region="7 -10 23 -26 6 -9" universe="1" />
+  <cell id="174" material="void" name="x = 3, y = 7, z = 1" region="10 -13 23 -26 6 -9" universe="1" />
+  <cell id="175" material="void" name="x = 4, y = 7, z = 1" region="13 -16 23 -26 6 -9" universe="1" />
+  <cell id="176" material="void" name="x = 5, y = 7, z = 1" region="16 -19 23 -26 6 -9" universe="1" />
+  <cell id="177" material="void" name="x = 6, y = 7, z = 1" region="19 -22 23 -26 6 -9" universe="1" />
+  <cell id="178" material="void" name="x = 7, y = 7, z = 1" region="22 -25 23 -26 6 -9" universe="1" />
+  <cell id="179" material="void" name="x = 8, y = 7, z = 1" region="25 -28 23 -26 6 -9" universe="1" />
+  <cell id="180" material="void" name="x = 9, y = 7, z = 1" region="28 -31 23 -26 6 -9" universe="1" />
+  <cell id="181" material="void" name="x = 0, y = 8, z = 1" region="1 -4 26 -29 6 -9" universe="1" />
+  <cell id="182" material="void" name="x = 1, y = 8, z = 1" region="4 -7 26 -29 6 -9" universe="1" />
+  <cell id="183" material="void" name="x = 2, y = 8, z = 1" region="7 -10 26 -29 6 -9" universe="1" />
+  <cell id="184" material="void" name="x = 3, y = 8, z = 1" region="10 -13 26 -29 6 -9" universe="1" />
+  <cell id="185" material="void" name="x = 4, y = 8, z = 1" region="13 -16 26 -29 6 -9" universe="1" />
+  <cell id="186" material="void" name="x = 5, y = 8, z = 1" region="16 -19 26 -29 6 -9" universe="1" />
+  <cell id="187" material="void" name="x = 6, y = 8, z = 1" region="19 -22 26 -29 6 -9" universe="1" />
+  <cell id="188" material="void" name="x = 7, y = 8, z = 1" region="22 -25 26 -29 6 -9" universe="1" />
+  <cell id="189" material="void" name="x = 8, y = 8, z = 1" region="25 -28 26 -29 6 -9" universe="1" />
+  <cell id="190" material="void" name="x = 9, y = 8, z = 1" region="28 -31 26 -29 6 -9" universe="1" />
+  <cell id="191" material="void" name="x = 0, y = 9, z = 1" region="1 -4 29 -32 6 -9" universe="1" />
+  <cell id="192" material="void" name="x = 1, y = 9, z = 1" region="4 -7 29 -32 6 -9" universe="1" />
+  <cell id="193" material="void" name="x = 2, y = 9, z = 1" region="7 -10 29 -32 6 -9" universe="1" />
+  <cell id="194" material="void" name="x = 3, y = 9, z = 1" region="10 -13 29 -32 6 -9" universe="1" />
+  <cell id="195" material="void" name="x = 4, y = 9, z = 1" region="13 -16 29 -32 6 -9" universe="1" />
+  <cell id="196" material="void" name="x = 5, y = 9, z = 1" region="16 -19 29 -32 6 -9" universe="1" />
+  <cell id="197" material="void" name="x = 6, y = 9, z = 1" region="19 -22 29 -32 6 -9" universe="1" />
+  <cell id="198" material="void" name="x = 7, y = 9, z = 1" region="22 -25 29 -32 6 -9" universe="1" />
+  <cell id="199" material="void" name="x = 8, y = 9, z = 1" region="25 -28 29 -32 6 -9" universe="1" />
+  <cell id="200" material="void" name="x = 9, y = 9, z = 1" region="28 -31 29 -32 6 -9" universe="1" />
+  <cell id="201" material="void" name="x = 0, y = 0, z = 2" region="1 -4 2 -5 9 -12" universe="1" />
+  <cell id="202" material="void" name="x = 1, y = 0, z = 2" region="4 -7 2 -5 9 -12" universe="1" />
+  <cell id="203" material="void" name="x = 2, y = 0, z = 2" region="7 -10 2 -5 9 -12" universe="1" />
+  <cell id="204" material="void" name="x = 3, y = 0, z = 2" region="10 -13 2 -5 9 -12" universe="1" />
+  <cell id="205" material="void" name="x = 4, y = 0, z = 2" region="13 -16 2 -5 9 -12" universe="1" />
+  <cell id="206" material="void" name="x = 5, y = 0, z = 2" region="16 -19 2 -5 9 -12" universe="1" />
+  <cell id="207" material="void" name="x = 6, y = 0, z = 2" region="19 -22 2 -5 9 -12" universe="1" />
+  <cell id="208" material="void" name="x = 7, y = 0, z = 2" region="22 -25 2 -5 9 -12" universe="1" />
+  <cell id="209" material="void" name="x = 8, y = 0, z = 2" region="25 -28 2 -5 9 -12" universe="1" />
+  <cell id="210" material="void" name="x = 9, y = 0, z = 2" region="28 -31 2 -5 9 -12" universe="1" />
+  <cell id="211" material="void" name="x = 0, y = 1, z = 2" region="1 -4 5 -8 9 -12" universe="1" />
+  <cell id="212" material="void" name="x = 1, y = 1, z = 2" region="4 -7 5 -8 9 -12" universe="1" />
+  <cell id="213" material="void" name="x = 2, y = 1, z = 2" region="7 -10 5 -8 9 -12" universe="1" />
+  <cell id="214" material="void" name="x = 3, y = 1, z = 2" region="10 -13 5 -8 9 -12" universe="1" />
+  <cell id="215" material="void" name="x = 4, y = 1, z = 2" region="13 -16 5 -8 9 -12" universe="1" />
+  <cell id="216" material="void" name="x = 5, y = 1, z = 2" region="16 -19 5 -8 9 -12" universe="1" />
+  <cell id="217" material="void" name="x = 6, y = 1, z = 2" region="19 -22 5 -8 9 -12" universe="1" />
+  <cell id="218" material="void" name="x = 7, y = 1, z = 2" region="22 -25 5 -8 9 -12" universe="1" />
+  <cell id="219" material="void" name="x = 8, y = 1, z = 2" region="25 -28 5 -8 9 -12" universe="1" />
+  <cell id="220" material="void" name="x = 9, y = 1, z = 2" region="28 -31 5 -8 9 -12" universe="1" />
+  <cell id="221" material="void" name="x = 0, y = 2, z = 2" region="1 -4 8 -11 9 -12" universe="1" />
+  <cell id="222" material="void" name="x = 1, y = 2, z = 2" region="4 -7 8 -11 9 -12" universe="1" />
+  <cell id="223" material="void" name="x = 2, y = 2, z = 2" region="7 -10 8 -11 9 -12" universe="1" />
+  <cell id="224" material="void" name="x = 3, y = 2, z = 2" region="10 -13 8 -11 9 -12" universe="1" />
+  <cell id="225" material="void" name="x = 4, y = 2, z = 2" region="13 -16 8 -11 9 -12" universe="1" />
+  <cell id="226" material="void" name="x = 5, y = 2, z = 2" region="16 -19 8 -11 9 -12" universe="1" />
+  <cell id="227" material="void" name="x = 6, y = 2, z = 2" region="19 -22 8 -11 9 -12" universe="1" />
+  <cell id="228" material="void" name="x = 7, y = 2, z = 2" region="22 -25 8 -11 9 -12" universe="1" />
+  <cell id="229" material="void" name="x = 8, y = 2, z = 2" region="25 -28 8 -11 9 -12" universe="1" />
+  <cell id="230" material="void" name="x = 9, y = 2, z = 2" region="28 -31 8 -11 9 -12" universe="1" />
+  <cell id="231" material="void" name="x = 0, y = 3, z = 2" region="1 -4 11 -14 9 -12" universe="1" />
+  <cell id="232" material="void" name="x = 1, y = 3, z = 2" region="4 -7 11 -14 9 -12" universe="1" />
+  <cell id="233" material="void" name="x = 2, y = 3, z = 2" region="7 -10 11 -14 9 -12" universe="1" />
+  <cell id="234" material="void" name="x = 3, y = 3, z = 2" region="10 -13 11 -14 9 -12" universe="1" />
+  <cell id="235" material="void" name="x = 4, y = 3, z = 2" region="13 -16 11 -14 9 -12" universe="1" />
+  <cell id="236" material="void" name="x = 5, y = 3, z = 2" region="16 -19 11 -14 9 -12" universe="1" />
+  <cell id="237" material="void" name="x = 6, y = 3, z = 2" region="19 -22 11 -14 9 -12" universe="1" />
+  <cell id="238" material="void" name="x = 7, y = 3, z = 2" region="22 -25 11 -14 9 -12" universe="1" />
+  <cell id="239" material="void" name="x = 8, y = 3, z = 2" region="25 -28 11 -14 9 -12" universe="1" />
+  <cell id="240" material="void" name="x = 9, y = 3, z = 2" region="28 -31 11 -14 9 -12" universe="1" />
+  <cell id="241" material="void" name="x = 0, y = 4, z = 2" region="1 -4 14 -17 9 -12" universe="1" />
+  <cell id="242" material="void" name="x = 1, y = 4, z = 2" region="4 -7 14 -17 9 -12" universe="1" />
+  <cell id="243" material="void" name="x = 2, y = 4, z = 2" region="7 -10 14 -17 9 -12" universe="1" />
+  <cell id="244" material="void" name="x = 3, y = 4, z = 2" region="10 -13 14 -17 9 -12" universe="1" />
+  <cell id="245" material="void" name="x = 4, y = 4, z = 2" region="13 -16 14 -17 9 -12" universe="1" />
+  <cell id="246" material="void" name="x = 5, y = 4, z = 2" region="16 -19 14 -17 9 -12" universe="1" />
+  <cell id="247" material="void" name="x = 6, y = 4, z = 2" region="19 -22 14 -17 9 -12" universe="1" />
+  <cell id="248" material="void" name="x = 7, y = 4, z = 2" region="22 -25 14 -17 9 -12" universe="1" />
+  <cell id="249" material="void" name="x = 8, y = 4, z = 2" region="25 -28 14 -17 9 -12" universe="1" />
+  <cell id="250" material="void" name="x = 9, y = 4, z = 2" region="28 -31 14 -17 9 -12" universe="1" />
+  <cell id="251" material="void" name="x = 0, y = 5, z = 2" region="1 -4 17 -20 9 -12" universe="1" />
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+  <cell id="253" material="void" name="x = 2, y = 5, z = 2" region="7 -10 17 -20 9 -12" universe="1" />
+  <cell id="254" material="void" name="x = 3, y = 5, z = 2" region="10 -13 17 -20 9 -12" universe="1" />
+  <cell id="255" material="void" name="x = 4, y = 5, z = 2" region="13 -16 17 -20 9 -12" universe="1" />
+  <cell id="256" material="void" name="x = 5, y = 5, z = 2" region="16 -19 17 -20 9 -12" universe="1" />
+  <cell id="257" material="void" name="x = 6, y = 5, z = 2" region="19 -22 17 -20 9 -12" universe="1" />
+  <cell id="258" material="void" name="x = 7, y = 5, z = 2" region="22 -25 17 -20 9 -12" universe="1" />
+  <cell id="259" material="void" name="x = 8, y = 5, z = 2" region="25 -28 17 -20 9 -12" universe="1" />
+  <cell id="260" material="void" name="x = 9, y = 5, z = 2" region="28 -31 17 -20 9 -12" universe="1" />
+  <cell id="261" material="void" name="x = 0, y = 6, z = 2" region="1 -4 20 -23 9 -12" universe="1" />
+  <cell id="262" material="void" name="x = 1, y = 6, z = 2" region="4 -7 20 -23 9 -12" universe="1" />
+  <cell id="263" material="void" name="x = 2, y = 6, z = 2" region="7 -10 20 -23 9 -12" universe="1" />
+  <cell id="264" material="void" name="x = 3, y = 6, z = 2" region="10 -13 20 -23 9 -12" universe="1" />
+  <cell id="265" material="void" name="x = 4, y = 6, z = 2" region="13 -16 20 -23 9 -12" universe="1" />
+  <cell id="266" material="void" name="x = 5, y = 6, z = 2" region="16 -19 20 -23 9 -12" universe="1" />
+  <cell id="267" material="void" name="x = 6, y = 6, z = 2" region="19 -22 20 -23 9 -12" universe="1" />
+  <cell id="268" material="void" name="x = 7, y = 6, z = 2" region="22 -25 20 -23 9 -12" universe="1" />
+  <cell id="269" material="void" name="x = 8, y = 6, z = 2" region="25 -28 20 -23 9 -12" universe="1" />
+  <cell id="270" material="void" name="x = 9, y = 6, z = 2" region="28 -31 20 -23 9 -12" universe="1" />
+  <cell id="271" material="void" name="x = 0, y = 7, z = 2" region="1 -4 23 -26 9 -12" universe="1" />
+  <cell id="272" material="void" name="x = 1, y = 7, z = 2" region="4 -7 23 -26 9 -12" universe="1" />
+  <cell id="273" material="void" name="x = 2, y = 7, z = 2" region="7 -10 23 -26 9 -12" universe="1" />
+  <cell id="274" material="void" name="x = 3, y = 7, z = 2" region="10 -13 23 -26 9 -12" universe="1" />
+  <cell id="275" material="void" name="x = 4, y = 7, z = 2" region="13 -16 23 -26 9 -12" universe="1" />
+  <cell id="276" material="void" name="x = 5, y = 7, z = 2" region="16 -19 23 -26 9 -12" universe="1" />
+  <cell id="277" material="void" name="x = 6, y = 7, z = 2" region="19 -22 23 -26 9 -12" universe="1" />
+  <cell id="278" material="void" name="x = 7, y = 7, z = 2" region="22 -25 23 -26 9 -12" universe="1" />
+  <cell id="279" material="void" name="x = 8, y = 7, z = 2" region="25 -28 23 -26 9 -12" universe="1" />
+  <cell id="280" material="void" name="x = 9, y = 7, z = 2" region="28 -31 23 -26 9 -12" universe="1" />
+  <cell id="281" material="void" name="x = 0, y = 8, z = 2" region="1 -4 26 -29 9 -12" universe="1" />
+  <cell id="282" material="void" name="x = 1, y = 8, z = 2" region="4 -7 26 -29 9 -12" universe="1" />
+  <cell id="283" material="void" name="x = 2, y = 8, z = 2" region="7 -10 26 -29 9 -12" universe="1" />
+  <cell id="284" material="void" name="x = 3, y = 8, z = 2" region="10 -13 26 -29 9 -12" universe="1" />
+  <cell id="285" material="void" name="x = 4, y = 8, z = 2" region="13 -16 26 -29 9 -12" universe="1" />
+  <cell id="286" material="void" name="x = 5, y = 8, z = 2" region="16 -19 26 -29 9 -12" universe="1" />
+  <cell id="287" material="void" name="x = 6, y = 8, z = 2" region="19 -22 26 -29 9 -12" universe="1" />
+  <cell id="288" material="void" name="x = 7, y = 8, z = 2" region="22 -25 26 -29 9 -12" universe="1" />
+  <cell id="289" material="void" name="x = 8, y = 8, z = 2" region="25 -28 26 -29 9 -12" universe="1" />
+  <cell id="290" material="void" name="x = 9, y = 8, z = 2" region="28 -31 26 -29 9 -12" universe="1" />
+  <cell id="291" material="void" name="x = 0, y = 9, z = 2" region="1 -4 29 -32 9 -12" universe="1" />
+  <cell id="292" material="void" name="x = 1, y = 9, z = 2" region="4 -7 29 -32 9 -12" universe="1" />
+  <cell id="293" material="void" name="x = 2, y = 9, z = 2" region="7 -10 29 -32 9 -12" universe="1" />
+  <cell id="294" material="void" name="x = 3, y = 9, z = 2" region="10 -13 29 -32 9 -12" universe="1" />
+  <cell id="295" material="void" name="x = 4, y = 9, z = 2" region="13 -16 29 -32 9 -12" universe="1" />
+  <cell id="296" material="void" name="x = 5, y = 9, z = 2" region="16 -19 29 -32 9 -12" universe="1" />
+  <cell id="297" material="void" name="x = 6, y = 9, z = 2" region="19 -22 29 -32 9 -12" universe="1" />
+  <cell id="298" material="void" name="x = 7, y = 9, z = 2" region="22 -25 29 -32 9 -12" universe="1" />
+  <cell id="299" material="void" name="x = 8, y = 9, z = 2" region="25 -28 29 -32 9 -12" universe="1" />
+  <cell id="300" material="void" name="x = 9, y = 9, z = 2" region="28 -31 29 -32 9 -12" universe="1" />
+  <cell id="301" material="void" name="x = 0, y = 0, z = 3" region="1 -4 2 -5 12 -15" universe="1" />
+  <cell id="302" material="void" name="x = 1, y = 0, z = 3" region="4 -7 2 -5 12 -15" universe="1" />
+  <cell id="303" material="void" name="x = 2, y = 0, z = 3" region="7 -10 2 -5 12 -15" universe="1" />
+  <cell id="304" material="void" name="x = 3, y = 0, z = 3" region="10 -13 2 -5 12 -15" universe="1" />
+  <cell id="305" material="void" name="x = 4, y = 0, z = 3" region="13 -16 2 -5 12 -15" universe="1" />
+  <cell id="306" material="void" name="x = 5, y = 0, z = 3" region="16 -19 2 -5 12 -15" universe="1" />
+  <cell id="307" material="void" name="x = 6, y = 0, z = 3" region="19 -22 2 -5 12 -15" universe="1" />
+  <cell id="308" material="void" name="x = 7, y = 0, z = 3" region="22 -25 2 -5 12 -15" universe="1" />
+  <cell id="309" material="void" name="x = 8, y = 0, z = 3" region="25 -28 2 -5 12 -15" universe="1" />
+  <cell id="310" material="void" name="x = 9, y = 0, z = 3" region="28 -31 2 -5 12 -15" universe="1" />
+  <cell id="311" material="void" name="x = 0, y = 1, z = 3" region="1 -4 5 -8 12 -15" universe="1" />
+  <cell id="312" material="void" name="x = 1, y = 1, z = 3" region="4 -7 5 -8 12 -15" universe="1" />
+  <cell id="313" material="void" name="x = 2, y = 1, z = 3" region="7 -10 5 -8 12 -15" universe="1" />
+  <cell id="314" material="void" name="x = 3, y = 1, z = 3" region="10 -13 5 -8 12 -15" universe="1" />
+  <cell id="315" material="void" name="x = 4, y = 1, z = 3" region="13 -16 5 -8 12 -15" universe="1" />
+  <cell id="316" material="void" name="x = 5, y = 1, z = 3" region="16 -19 5 -8 12 -15" universe="1" />
+  <cell id="317" material="void" name="x = 6, y = 1, z = 3" region="19 -22 5 -8 12 -15" universe="1" />
+  <cell id="318" material="void" name="x = 7, y = 1, z = 3" region="22 -25 5 -8 12 -15" universe="1" />
+  <cell id="319" material="void" name="x = 8, y = 1, z = 3" region="25 -28 5 -8 12 -15" universe="1" />
+  <cell id="320" material="void" name="x = 9, y = 1, z = 3" region="28 -31 5 -8 12 -15" universe="1" />
+  <cell id="321" material="void" name="x = 0, y = 2, z = 3" region="1 -4 8 -11 12 -15" universe="1" />
+  <cell id="322" material="void" name="x = 1, y = 2, z = 3" region="4 -7 8 -11 12 -15" universe="1" />
+  <cell id="323" material="void" name="x = 2, y = 2, z = 3" region="7 -10 8 -11 12 -15" universe="1" />
+  <cell id="324" material="void" name="x = 3, y = 2, z = 3" region="10 -13 8 -11 12 -15" universe="1" />
+  <cell id="325" material="void" name="x = 4, y = 2, z = 3" region="13 -16 8 -11 12 -15" universe="1" />
+  <cell id="326" material="void" name="x = 5, y = 2, z = 3" region="16 -19 8 -11 12 -15" universe="1" />
+  <cell id="327" material="void" name="x = 6, y = 2, z = 3" region="19 -22 8 -11 12 -15" universe="1" />
+  <cell id="328" material="void" name="x = 7, y = 2, z = 3" region="22 -25 8 -11 12 -15" universe="1" />
+  <cell id="329" material="void" name="x = 8, y = 2, z = 3" region="25 -28 8 -11 12 -15" universe="1" />
+  <cell id="330" material="void" name="x = 9, y = 2, z = 3" region="28 -31 8 -11 12 -15" universe="1" />
+  <cell id="331" material="void" name="x = 0, y = 3, z = 3" region="1 -4 11 -14 12 -15" universe="1" />
+  <cell id="332" material="void" name="x = 1, y = 3, z = 3" region="4 -7 11 -14 12 -15" universe="1" />
+  <cell id="333" material="void" name="x = 2, y = 3, z = 3" region="7 -10 11 -14 12 -15" universe="1" />
+  <cell id="334" material="void" name="x = 3, y = 3, z = 3" region="10 -13 11 -14 12 -15" universe="1" />
+  <cell id="335" material="void" name="x = 4, y = 3, z = 3" region="13 -16 11 -14 12 -15" universe="1" />
+  <cell id="336" material="void" name="x = 5, y = 3, z = 3" region="16 -19 11 -14 12 -15" universe="1" />
+  <cell id="337" material="void" name="x = 6, y = 3, z = 3" region="19 -22 11 -14 12 -15" universe="1" />
+  <cell id="338" material="void" name="x = 7, y = 3, z = 3" region="22 -25 11 -14 12 -15" universe="1" />
+  <cell id="339" material="void" name="x = 8, y = 3, z = 3" region="25 -28 11 -14 12 -15" universe="1" />
+  <cell id="340" material="void" name="x = 9, y = 3, z = 3" region="28 -31 11 -14 12 -15" universe="1" />
+  <cell id="341" material="void" name="x = 0, y = 4, z = 3" region="1 -4 14 -17 12 -15" universe="1" />
+  <cell id="342" material="void" name="x = 1, y = 4, z = 3" region="4 -7 14 -17 12 -15" universe="1" />
+  <cell id="343" material="void" name="x = 2, y = 4, z = 3" region="7 -10 14 -17 12 -15" universe="1" />
+  <cell id="344" material="void" name="x = 3, y = 4, z = 3" region="10 -13 14 -17 12 -15" universe="1" />
+  <cell id="345" material="void" name="x = 4, y = 4, z = 3" region="13 -16 14 -17 12 -15" universe="1" />
+  <cell id="346" material="void" name="x = 5, y = 4, z = 3" region="16 -19 14 -17 12 -15" universe="1" />
+  <cell id="347" material="void" name="x = 6, y = 4, z = 3" region="19 -22 14 -17 12 -15" universe="1" />
+  <cell id="348" material="void" name="x = 7, y = 4, z = 3" region="22 -25 14 -17 12 -15" universe="1" />
+  <cell id="349" material="void" name="x = 8, y = 4, z = 3" region="25 -28 14 -17 12 -15" universe="1" />
+  <cell id="350" material="void" name="x = 9, y = 4, z = 3" region="28 -31 14 -17 12 -15" universe="1" />
+  <cell id="351" material="void" name="x = 0, y = 5, z = 3" region="1 -4 17 -20 12 -15" universe="1" />
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0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0</strengths>
     </space>
     <energy type="discrete">
       <parameters>15000000.0 1.0</parameters>
diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/test.py b/tests/regression_tests/unstructured_mesh/source_sampling/test.py
index f6262971a..dfbe74d05 100644
--- a/tests/regression_tests/unstructured_mesh/source_sampling/test.py
+++ b/tests/regression_tests/unstructured_mesh/source_sampling/test.py
@@ -16,7 +16,6 @@ TETS_PER_VOXEL = 12
 
 class UnstructuredMeshSourceTest(PyAPITestHarness):
     def __init__(self, statepoint_name, model, inputs_true, schemes):
-
         super().__init__(statepoint_name, model, inputs_true)
         self.schemes = schemes
 
@@ -31,60 +30,53 @@ class UnstructuredMeshSourceTest(PyAPITestHarness):
         openmc.run(**kwargs)
 
     def _compare_results(self):
-
+        # There are 10000 particles and 1000 hexes, this leads to the average
+        # shown below
         average_in_hex = 10.0
 
-
         call(['../../../../scripts/openmc-track-combine', '-o', 'tracks.h5'] +
                 glob.glob('tracks_p*.h5'))
 
         # loop over the tracks and get data
         tracks = openmc.Tracks(filepath='tracks.h5')
         tracks_born = np.empty((len(tracks), 1))
-        decimals = 0
 
         instances = np.zeros(1000)
 
         for i in range(0, len(tracks)):
             tracks_born[i] = tracks[i].particle_tracks[0].states['cell_id'][0]
-            instances[int(tracks_born[i])-1] = instances[int(tracks_born[i])-1]+1
+            instances[int(tracks_born[i])-1] += 1
 
         if self.schemes == "file":
             assert(instances[0] > 0 and instances[1] > 0)
             assert(instances[0] > instances[1])
-            
-            for i in range(0, len(instances)):
-                if i != 0 and i != 1:
-                    assert(instances[i] == 0)
+
+            for i in range(2, len(instances)):
+                assert(instances[i] == 0)
 
         else:
             assert(np.average(instances) == average_in_hex)
-            assert(np.std(instances) < np.average(instances))  
+            assert(np.std(instances) < np.average(instances))
             assert(np.amax(instances) < np.average(instances)+6*np.std(instances))
-            
+
 
     def _cleanup(self):
         super()._cleanup()
-        output = glob.glob('tally*.vtk')
+        output = glob.glob('track*.h5')
         output += glob.glob('tally*.e')
         for f in output:
             if os.path.exists(f):
                 os.remove(f)
 
-    
-
-
 param_values = (['libmesh', 'moab'], # mesh libraries
                 ['volume', 'file']) # Element weighting schemes
 
 test_cases = []
-# for i, (lib, holes) in enumerate(product(*param_values)):
 for i, (lib, schemes) in enumerate(product(*param_values)):
     test_cases.append({'library' : lib,
                        'schemes' : schemes,
                        'inputs_true' : 'inputs_true{}.dat'.format(i)})
 
-
 @pytest.mark.parametrize("test_opts", test_cases)
 def test_unstructured_mesh(test_opts):
 
@@ -110,19 +102,20 @@ def test_unstructured_mesh(test_opts):
 
     ### Geometry ###
     dimen = 10
-    size_hex = 20.0/dimen
+    size_hex = 20.0 / dimen
 
     ### Geometry ###
     cell = np.empty((dimen, dimen, dimen), dtype=object)
-    surfaces = np.empty((dimen+1, 3), dtype=object)
+    surfaces = np.empty((dimen + 1, 3), dtype=object)
 
     geometry = openmc.Geometry()
     universe = openmc.Universe(universe_id=1, name="Contains all hexes")
 
     for i in range(0,dimen+1):
-        surfaces[i][0] = openmc.XPlane(-10.0+i*size_hex, name="X plane at "+str(-10.0+i*size_hex))
-        surfaces[i][1] = openmc.YPlane(-10.0+i*size_hex, name="Y plane at "+str(-10.0+i*size_hex))
-        surfaces[i][2] = openmc.ZPlane(-10.0+i*size_hex, name="Z plane at "+str(-10.0+i*size_hex))
+        coord = -10.0 + i * size_hex
+        surfaces[i][0] = openmc.XPlane(coord, name="X plane at "+str(coord))
+        surfaces[i][1] = openmc.YPlane(coord, name="Y plane at "+str(coord))
+        surfaces[i][2] = openmc.ZPlane(coord, name="Z plane at "+str(coord))
 
         surfaces[i][0].boundary_type = 'vacuum'
         surfaces[i][1].boundary_type = 'vacuum'
@@ -131,11 +124,11 @@ def test_unstructured_mesh(test_opts):
     for k in range(0,dimen):
         for j in range(0,dimen):
             for i in range(0,dimen):
-                cell[i][j][k] = openmc.Cell(name=("x " + str(i) +" y " + str(j) +" z " + str(k)))
+                cell[i][j][k] = openmc.Cell(name=("x = {}, y = {}, z = {}".format(i,j,k)))
                 cell[i][j][k].region = +surfaces[i][0] & -surfaces[i+1][0] & \
                                     +surfaces[j][1] & -surfaces[j+1][1] & \
                                     +surfaces[k][2] & -surfaces[k+1][2]
-                cell[i][j][k].fill = water_mat
+                cell[i][j][k].fill = None
                 universe.add_cell(cell[i][j][k])
 
     geometry = openmc.Geometry(universe)
@@ -161,19 +154,17 @@ def test_unstructured_mesh(test_opts):
     settings.particles = 5000
     settings.batches = 2
 
-    # settings.create_fission_neutrons = False
-    settings.tracks = [(1, 1, 1)]
     settings.max_tracks = 10000
 
     # source setup
     if test_opts['schemes'] == 'volume':
-        space = openmc.stats.MeshIndependent(volume_weighting=True, mesh=uscd_mesh)
+        space = openmc.stats.MeshIndependent(volume_normalized=True, mesh=uscd_mesh)
     elif test_opts['schemes'] == 'file':
         array = np.zeros(12000)
         for i in range(0, 12):
             array[i] = 10
             array[i+12] = 2
-        space = openmc.stats.MeshIndependent(volume_weighting=False, weights_from_file=array, mesh=uscd_mesh)
+        space = openmc.stats.MeshIndependent(volume_normalized=False, strengths=array, mesh=uscd_mesh)
 
     energy = openmc.stats.Discrete(x=[15.e+06], p=[1.0])
     source = openmc.Source(space=space, energy=energy)
@@ -185,7 +176,7 @@ def test_unstructured_mesh(test_opts):
                                settings=settings)
 
     harness = UnstructuredMeshSourceTest('statepoint.2.h5',
-                                   model,
-                                   test_opts['inputs_true'],
-                                   test_opts['schemes'])
+                                         model,
+                                         test_opts['inputs_true'],
+                                         test_opts['schemes'])
     harness.main()

From bd60956d20c9e538179597d0c6e8029cbea2963c Mon Sep 17 00:00:00 2001
From: NybergWISC <mnyberg@wisc.edu>
Date: Wed, 10 Aug 2022 14:42:57 -0500
Subject: [PATCH 1436/2654] Second round of comments. volume method is now
 implemented from Mesh instead of UnstructuredMesh

---
 include/openmc/distribution_spatial.h         | 10 ++++----
 include/openmc/mesh.h                         | 19 +++++++++++----
 openmc/settings.py                            | 13 +++++++----
 openmc/stats/multivariate.py                  |  8 +++----
 src/distribution_spatial.cpp                  | 23 +++++++++----------
 src/mesh.cpp                                  |  8 ++++++-
 src/source.cpp                                |  2 +-
 .../unstructured_mesh/source_sampling/test.py | 21 ++++++++---------
 8 files changed, 60 insertions(+), 44 deletions(-)

diff --git a/include/openmc/distribution_spatial.h b/include/openmc/distribution_spatial.h
index 8864e1139..6d771fd6b 100644
--- a/include/openmc/distribution_spatial.h
+++ b/include/openmc/distribution_spatial.h
@@ -99,9 +99,9 @@ private:
 //! Distribution of points within a mesh
 //==============================================================================
 
-class MeshIndependent : public SpatialDistribution {
+class MeshSpatial : public SpatialDistribution {
 public:
-  explicit MeshIndependent(pugi::xml_node node);
+  explicit MeshSpatial(pugi::xml_node node);
 
   //! Sample a position from the distribution
   //! \param seed Pseudorandom number seed pointer
@@ -109,13 +109,13 @@ public:
   Position sample(uint64_t* seed) const;
 
 private:
-  UnstructuredMesh* umesh_ptr_;
-  int32_t mesh_map_idx_;
+  Mesh* mesh_ptr_;
+  int32_t mesh_idx_;
   std::string sample_scheme_;
   double total_strength_;
   std::vector<double> mesh_CDF_;
   std::vector<double> mesh_strengths_;
-  int64_t tot_bins_;
+  int32_t tot_bins_;
 };
 
 //==============================================================================
diff --git a/include/openmc/mesh.h b/include/openmc/mesh.h
index a4104f75a..8015d2e4c 100644
--- a/include/openmc/mesh.h
+++ b/include/openmc/mesh.h
@@ -79,7 +79,13 @@ public:
   //
   //! \param[in] seed Seed to use for random sampling
   //! \param[out] r Position within tet
-  virtual Position sample(uint64_t* seed, int32_t tet_bin) const=0;
+  virtual Position sample(uint64_t* seed, int32_t bin) const=0;
+
+  //! Get the volume of a mesh bin
+  //
+  //! \param[in] bin Bin to return the volume for
+  //! \return Volume of the bin
+  virtual double volume(int bin) const = 0;
 
   //! Determine which bins were crossed by a particle
   //
@@ -166,7 +172,9 @@ public:
     }
   };
 
-  Position sample(uint64_t* seed, int32_t tet_bin) const override;
+  Position sample(uint64_t* seed, int32_t bin) const override;
+
+  double volume(int bin) const override;
 
   int get_bin(Position r) const override;
 
@@ -469,13 +477,14 @@ public:
   virtual std::string get_mesh_type() const override;
 
   // Overridden Methods
-  // TODO Position sample(uint64_t* seed) const=0;
 
   void surface_bins_crossed(Position r0, Position r1, const Direction& u,
     vector<int>& bins) const override;
 
   void to_hdf5(hid_t group) const override;
 
+  virtual double volume(int bin) const = 0;
+
   std::string bin_label(int bin) const override;
 
   // Methods
@@ -565,7 +574,7 @@ public:
 
   // Overridden Methods
 
-  Position sample(uint64_t* seed, int32_t tet_bin) const override;
+  Position sample(uint64_t* seed, int32_t bin) const override;
 
   void bins_crossed(Position r0, Position r1, const Direction& u,
     vector<int>& bins, vector<double>& lengths) const override;
@@ -729,7 +738,7 @@ public:
   void bins_crossed(Position r0, Position r1, const Direction& u,
     vector<int>& bins, vector<double>& lengths) const override;
 
-  Position sample(uint64_t* seed, int32_t tet_bin) const override;
+  Position sample(uint64_t* seed, int32_t bin) const override;
 
   int get_bin(Position r) const override;
 
diff --git a/openmc/settings.py b/openmc/settings.py
index 045cccd5c..b8b1ec2b4 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -11,7 +11,7 @@ from typing import Optional
 from xml.etree import ElementTree as ET
 
 import openmc.checkvalue as cv
-from openmc.stats.multivariate import MeshIndependent
+from openmc.stats.multivariate import MeshSpatial
 
 from . import RegularMesh, Source, VolumeCalculation, WeightWindows
 from ._xml import clean_indentation, get_text, reorder_attributes
@@ -977,7 +977,7 @@ class Settings:
     def _create_source_subelement(self, root):
         for source in self.source:
             root.append(source.to_xml_element())
-            if isinstance(source.space, MeshIndependent):
+            if isinstance(source.space, MeshSpatial):
                 path = f"./mesh[@id='{source.space.mesh.id}']" 
                 if root.find(path) is None: 
                     root.append(source.space.mesh.to_xml_element())
@@ -1328,13 +1328,16 @@ class Settings:
 
     def _source_from_xml_element(self, root):
         for elem in root.findall('source'):
-            self.source.append(Source.from_xml_element(elem))
-            if isinstance(Source.from_xml_element(elem), MeshIndependent):
+            src = Source.from_xml_element(elem)
+            if isinstance(src.space, MeshSpatial):
                 mesh_id = int(get_text(elem, 'mesh'))
                 path = f"./mesh[@id='{mesh_id}']"
                 mesh_elem = root.find(path)
                 if mesh_elem is not None:
-                    self.source.space.mesh = MeshBase.from_xml_element(mesh_elem)
+                    src.space.mesh = MeshBase.from_xml_element(mesh_elem)
+                else:
+                    raise RuntimeError('No mesh was specified for the mesh source')
+            self.source.append(src)
 
     def _volume_calcs_from_xml_element(self, root):
         volume_elems = root.findall("volume_calc")
diff --git a/openmc/stats/multivariate.py b/openmc/stats/multivariate.py
index 0df540ddd..9aa03b2d7 100644
--- a/openmc/stats/multivariate.py
+++ b/openmc/stats/multivariate.py
@@ -271,7 +271,7 @@ class Spatial(ABC):
         elif distribution == 'spherical':
             return SphericalIndependent.from_xml_element(elem)
         elif distribution == 'mesh':
-            return MeshIndependent.from_xml_element(elem)
+            return MeshSpatial.from_xml_element(elem)
         elif distribution == 'box' or distribution == 'fission':
             return Box.from_xml_element(elem)
         elif distribution == 'point':
@@ -619,10 +619,10 @@ class CylindricalIndependent(Spatial):
         origin = [float(x) for x in elem.get('origin').split()]
         return cls(r, phi, z, origin=origin)
 
-class MeshIndependent(Spatial):
+class MeshSpatial(Spatial):
     """Spatial distribution for a mesh.
 
-    This distribution allows one to specify a mesh to sample over and the scheme to sample over the entire mesh. 
+    This distribution specifies a mesh to sample over, chooses whether it will be volume normalized, and can set the source strengths. 
 
     .. versionadded:: 0.13
 
@@ -716,7 +716,7 @@ class MeshIndependent(Spatial):
 
         Returns
         -------
-        openmc.stats.MeshIndependent
+        openmc.stats.MeshSpatial
             Spatial distribution generated from XML element
 
         """
diff --git a/src/distribution_spatial.cpp b/src/distribution_spatial.cpp
index 0ac24e39a..6d00739b0 100644
--- a/src/distribution_spatial.cpp
+++ b/src/distribution_spatial.cpp
@@ -183,24 +183,23 @@ Position SphericalIndependent::sample(uint64_t* seed) const
 }
 
 //==============================================================================
-// MeshIndependent implementation
+// MeshSpatial implementation
 //==============================================================================
 
-MeshIndependent::MeshIndependent(pugi::xml_node node)
+MeshSpatial::MeshSpatial(pugi::xml_node node)
 {
   // No in-tet distributions implemented, could include distributions for the barycentric coords
   // Read in unstructured mesh from mesh_id value
   int32_t mesh_id = std::stoi(get_node_value(node, "mesh_id"));
   // Get pointer to spatial distribution
-  mesh_map_idx_ = model::mesh_map.at(mesh_id);
-  const auto& mesh_ptr = model::meshes[mesh_map_idx_];
+  mesh_idx_ = model::mesh_map.at(mesh_id);
   
-  // Check whether mesh pointer points to an unstructured mesh
-  umesh_ptr_ = dynamic_cast<UnstructuredMesh*>(mesh_ptr.get());
-  if (!umesh_ptr_) {fatal_error("Mesh passed to spatial distribution is not an unstructured mesh object"); }
+  // Check whether mesh pointer points to a mesh
+  mesh_ptr_ = dynamic_cast<Mesh*>(model::meshes[mesh_idx_].get());
+  if (!mesh_ptr_) {fatal_error("Mesh passed to spatial distribution is not a mesh object"); }
 
   // Initialize arrays for CDF creation
-  tot_bins_ = umesh_ptr_->n_bins();
+  tot_bins_ = mesh_ptr_->n_bins();
   std::vector<double> strengths = {};
   strengths.resize(tot_bins_);
   double temp_total_strength = 0.0;
@@ -219,7 +218,7 @@ MeshIndependent::MeshIndependent(pugi::xml_node node)
       fatal_error("The size of the strengths array from the xml file does not equal the number of elements in the mesh.");
     } if (get_node_value_bool(node, "volume_normalized")){
       for (int i = 0; i < tot_bins_; i++){
-        strengths[i] = mesh_strengths_[i]*umesh_ptr_->volume(i);
+        strengths[i] = mesh_strengths_[i]*mesh_ptr_->volume(i);
       } 
     } else if (!get_node_value_bool(node, "volume_normalized")){
       for (int i = 0; i < tot_bins_; i++){
@@ -228,7 +227,7 @@ MeshIndependent::MeshIndependent(pugi::xml_node node)
     }
   } else if (get_node_value_bool(node, "volume_normalized")){
     for (int i = 0; i<tot_bins_; i++){
-      strengths[i] = umesh_ptr_->volume(i);
+      strengths[i] = mesh_ptr_->volume(i);
     }
   } else {
     for (int i = 0; i<tot_bins_; i++){
@@ -244,13 +243,13 @@ MeshIndependent::MeshIndependent(pugi::xml_node node)
   }
 }
 
-Position MeshIndependent::sample(uint64_t* seed) const
+Position MeshSpatial::sample(uint64_t* seed) const
 { 
   // Create random variable for sampling element from mesh
   float eta = prn(seed);
   // Sample over the CDF defined in initialization above
   int32_t tet_bin = lower_bound_index(mesh_CDF_.begin(), mesh_CDF_.end(), eta);
-  return umesh_ptr_->sample(seed, tet_bin);
+  return mesh_ptr_->sample(seed, tet_bin);
 }
 
 
diff --git a/src/mesh.cpp b/src/mesh.cpp
index b37c238f1..453ce572b 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -358,8 +358,14 @@ StructuredMesh::MeshIndex StructuredMesh::get_indices_from_bin(int bin) const
   return ijk;
 }
 
-Position StructuredMesh::sample(uint64_t* seed, int32_t bin) const {
+Position StructuredMesh::sample(uint64_t* seed, int32_t bin) const 
+{
   fatal_error("Position sampling on structured meshes is not yet implemented");
+} 
+
+double StructuredMesh::volume(int bin) const 
+{
+  fatal_error("Unable to get volume of structured mesh, not yet implemented");
 }
 
 int StructuredMesh::get_bin(Position r) const
diff --git a/src/source.cpp b/src/source.cpp
index 2ceff9964..2fdcc319f 100644
--- a/src/source.cpp
+++ b/src/source.cpp
@@ -95,7 +95,7 @@ IndependentSource::IndependentSource(pugi::xml_node node)
       } else if (type == "spherical") {
         space_ = UPtrSpace {new SphericalIndependent(node_space)};
       } else if (type =="mesh"){
-        space_ = UPtrSpace {new MeshIndependent(node_space)};
+        space_ = UPtrSpace {new MeshSpatial(node_space)};
       } else if (type == "box") {
         space_ = UPtrSpace {new SpatialBox(node_space)};
       } else if (type == "fission") {
diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/test.py b/tests/regression_tests/unstructured_mesh/source_sampling/test.py
index dfbe74d05..6f8d6fded 100644
--- a/tests/regression_tests/unstructured_mesh/source_sampling/test.py
+++ b/tests/regression_tests/unstructured_mesh/source_sampling/test.py
@@ -34,15 +34,14 @@ class UnstructuredMeshSourceTest(PyAPITestHarness):
         # shown below
         average_in_hex = 10.0
 
-        call(['../../../../scripts/openmc-track-combine', '-o', 'tracks.h5'] +
-                glob.glob('tracks_p*.h5'))
-
-        # loop over the tracks and get data
+        # Load in tracks
+        openmc.Tracks.combine(glob.glob('tracks_p*.h5'))
         tracks = openmc.Tracks(filepath='tracks.h5')
         tracks_born = np.empty((len(tracks), 1))
 
         instances = np.zeros(1000)
 
+        # loop over the tracks and get data
         for i in range(0, len(tracks)):
             tracks_born[i] = tracks[i].particle_tracks[0].states['cell_id'][0]
             instances[int(tracks_born[i])-1] += 1
@@ -113,9 +112,9 @@ def test_unstructured_mesh(test_opts):
 
     for i in range(0,dimen+1):
         coord = -10.0 + i * size_hex
-        surfaces[i][0] = openmc.XPlane(coord, name="X plane at "+str(coord))
-        surfaces[i][1] = openmc.YPlane(coord, name="Y plane at "+str(coord))
-        surfaces[i][2] = openmc.ZPlane(coord, name="Z plane at "+str(coord))
+        surfaces[i][0] = openmc.XPlane(coord, name=f"X plane at {coord}")
+        surfaces[i][1] = openmc.YPlane(coord, name=f"Y plane at {coord}")
+        surfaces[i][2] = openmc.ZPlane(coord, name=f"Z plane at {coord}")
 
         surfaces[i][0].boundary_type = 'vacuum'
         surfaces[i][1].boundary_type = 'vacuum'
@@ -126,8 +125,8 @@ def test_unstructured_mesh(test_opts):
             for i in range(0,dimen):
                 cell[i][j][k] = openmc.Cell(name=("x = {}, y = {}, z = {}".format(i,j,k)))
                 cell[i][j][k].region = +surfaces[i][0] & -surfaces[i+1][0] & \
-                                    +surfaces[j][1] & -surfaces[j+1][1] & \
-                                    +surfaces[k][2] & -surfaces[k+1][2]
+                                       +surfaces[j][1] & -surfaces[j+1][1] & \
+                                       +surfaces[k][2] & -surfaces[k+1][2]
                 cell[i][j][k].fill = None
                 universe.add_cell(cell[i][j][k])
 
@@ -158,13 +157,13 @@ def test_unstructured_mesh(test_opts):
 
     # source setup
     if test_opts['schemes'] == 'volume':
-        space = openmc.stats.MeshIndependent(volume_normalized=True, mesh=uscd_mesh)
+        space = openmc.stats.MeshSpatial(volume_normalized=True, mesh=uscd_mesh)
     elif test_opts['schemes'] == 'file':
         array = np.zeros(12000)
         for i in range(0, 12):
             array[i] = 10
             array[i+12] = 2
-        space = openmc.stats.MeshIndependent(volume_normalized=False, strengths=array, mesh=uscd_mesh)
+        space = openmc.stats.MeshSpatial(volume_normalized=False, strengths=array, mesh=uscd_mesh)
 
     energy = openmc.stats.Discrete(x=[15.e+06], p=[1.0])
     source = openmc.Source(space=space, energy=energy)

From 115be68953b30e64aa886c55db13b0e9d212f3c5 Mon Sep 17 00:00:00 2001
From: NybergWISC <mnyberg@wisc.edu>
Date: Mon, 15 Aug 2022 09:30:57 -0500
Subject: [PATCH 1437/2654] Small refactor of distribution_spatial.cpp and
 change default of volume_normalized to True

---
 openmc/stats/multivariate.py                  |  2 +-
 src/distribution_spatial.cpp                  | 33 ++++++++-----------
 .../unstructured_mesh/source_sampling/test.py |  4 ++-
 3 files changed, 17 insertions(+), 22 deletions(-)

diff --git a/openmc/stats/multivariate.py b/openmc/stats/multivariate.py
index 9aa03b2d7..88beea2f7 100644
--- a/openmc/stats/multivariate.py
+++ b/openmc/stats/multivariate.py
@@ -643,7 +643,7 @@ class MeshSpatial(Spatial):
 
     """
 
-    def __init__(self, mesh, strengths=None, volume_normalized=False):
+    def __init__(self, mesh, strengths=None, volume_normalized=True):
         self.mesh = mesh        
         self.strengths = strengths
         self.volume_normalized = volume_normalized
diff --git a/src/distribution_spatial.cpp b/src/distribution_spatial.cpp
index 6d00739b0..b47b85281 100644
--- a/src/distribution_spatial.cpp
+++ b/src/distribution_spatial.cpp
@@ -212,34 +212,27 @@ MeshSpatial::MeshSpatial(pugi::xml_node node)
   // Volume scheme is weighted by the volume of each tet
   // File scheme is weighted by an array given in the xml file
 
+  mesh_strengths_ = std::vector<double>(tot_bins_, 1.0);
   if (check_for_node(node, "strengths")) {
-    mesh_strengths_ = get_node_array<double>(node, "strengths");
-    if (mesh_strengths_.size() != tot_bins_){
-      fatal_error("The size of the strengths array from the xml file does not equal the number of elements in the mesh.");
-    } if (get_node_value_bool(node, "volume_normalized")){
-      for (int i = 0; i < tot_bins_; i++){
-        strengths[i] = mesh_strengths_[i]*mesh_ptr_->volume(i);
-      } 
-    } else if (!get_node_value_bool(node, "volume_normalized")){
-      for (int i = 0; i < tot_bins_; i++){
-        strengths[i] = mesh_strengths_[i];  
+      strengths = get_node_array<double>(node, "strengths");
+      if (strengths.size() != mesh_strengths_.size()){
+        fatal_error("Number of entries in the strength matrix does not match the number of mesh entities");
       }
-    }
-  } else if (get_node_value_bool(node, "volume_normalized")){
-    for (int i = 0; i<tot_bins_; i++){
-      strengths[i] = mesh_ptr_->volume(i);
-    }
-  } else {
-    for (int i = 0; i<tot_bins_; i++){
-      strengths[i] = 1;
+      mesh_strengths_ = strengths;
+  }
+
+  if (get_node_value_bool(node, "volume_normalized")) {
+    for (int i = 0; i < tot_bins_; i++) {
+      mesh_strengths_[i] *= mesh_ptr_->volume(i);
     }
   }
+
   for (int i = 0; i<tot_bins_; i++){
-    temp_total_strength = temp_total_strength + strengths[i];
+    temp_total_strength = temp_total_strength + mesh_strengths_[i];
   }
   total_strength_ = temp_total_strength;
   for (int i = 0; i<tot_bins_; i++){
-    mesh_CDF_[i+1] = mesh_CDF_[i] + strengths[i]/total_strength_;
+    mesh_CDF_[i+1] = mesh_CDF_[i] + mesh_strengths_[i]/total_strength_;
   }
 }
 
diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/test.py b/tests/regression_tests/unstructured_mesh/source_sampling/test.py
index 6f8d6fded..46d1e0cb0 100644
--- a/tests/regression_tests/unstructured_mesh/source_sampling/test.py
+++ b/tests/regression_tests/unstructured_mesh/source_sampling/test.py
@@ -35,7 +35,9 @@ class UnstructuredMeshSourceTest(PyAPITestHarness):
         average_in_hex = 10.0
 
         # Load in tracks
-        openmc.Tracks.combine(glob.glob('tracks_p*.h5'))
+        if config['mpi']:
+            openmc.Tracks.combine(glob.glob('tracks_p*.h5'))
+        
         tracks = openmc.Tracks(filepath='tracks.h5')
         tracks_born = np.empty((len(tracks), 1))
 

From 2bfdcefcf67027d174d31f29d7d5eb28dac8b232 Mon Sep 17 00:00:00 2001
From: NybergWISC <mnyberg@wisc.edu>
Date: Mon, 15 Aug 2022 13:04:47 -0500
Subject: [PATCH 1438/2654] Remove second volume method from mesh header file

---
 include/openmc/mesh.h | 6 ------
 1 file changed, 6 deletions(-)

diff --git a/include/openmc/mesh.h b/include/openmc/mesh.h
index 8015d2e4c..310320486 100644
--- a/include/openmc/mesh.h
+++ b/include/openmc/mesh.h
@@ -483,8 +483,6 @@ public:
 
   void to_hdf5(hid_t group) const override;
 
-  virtual double volume(int bin) const = 0;
-
   std::string bin_label(int bin) const override;
 
   // Methods
@@ -528,10 +526,6 @@ public:
   //! \return element connectivity as IDs of the vertices
   virtual std::vector<int> connectivity(int id) const = 0;
 
-  //! Get the volume of a mesh bin
-  //
-  //! \param[in] bin Bin to return the volume for
-  //! \return Volume of the bin
   virtual double volume(int bin) const = 0;
 
   //! Get the library used for this unstructured mesh

From fba3a9a118220b40065bbdcd7d641a3b8926cb50 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Wed, 21 Dec 2022 10:52:52 -0600
Subject: [PATCH 1439/2654] tet_bin to elem_bin suggestion from @eepeterson

---
 src/distribution_spatial.cpp | 9 ++++-----
 1 file changed, 4 insertions(+), 5 deletions(-)

diff --git a/src/distribution_spatial.cpp b/src/distribution_spatial.cpp
index b47b85281..a0cfec2f0 100644
--- a/src/distribution_spatial.cpp
+++ b/src/distribution_spatial.cpp
@@ -193,7 +193,7 @@ MeshSpatial::MeshSpatial(pugi::xml_node node)
   int32_t mesh_id = std::stoi(get_node_value(node, "mesh_id"));
   // Get pointer to spatial distribution
   mesh_idx_ = model::mesh_map.at(mesh_id);
-  
+
   // Check whether mesh pointer points to a mesh
   mesh_ptr_ = dynamic_cast<Mesh*>(model::meshes[mesh_idx_].get());
   if (!mesh_ptr_) {fatal_error("Mesh passed to spatial distribution is not a mesh object"); }
@@ -237,15 +237,14 @@ MeshSpatial::MeshSpatial(pugi::xml_node node)
 }
 
 Position MeshSpatial::sample(uint64_t* seed) const
-{ 
+{
   // Create random variable for sampling element from mesh
   float eta = prn(seed);
   // Sample over the CDF defined in initialization above
-  int32_t tet_bin = lower_bound_index(mesh_CDF_.begin(), mesh_CDF_.end(), eta);
-  return mesh_ptr_->sample(seed, tet_bin);
+  int32_t elem_bin = lower_bound_index(mesh_CDF_.begin(), mesh_CDF_.end(), eta);
+  return mesh_ptr_->sample(seed, elem_bin);
 }
 
-
 //==============================================================================
 // SpatialBox implementation
 //==============================================================================

From 0ffe0b39c11259c50b1be8fa8210830208af8cec Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 23 Dec 2022 12:10:47 -0600
Subject: [PATCH 1440/2654] Adding docstrings to MeshSpatial Python class

---
 openmc/stats/multivariate.py | 36 +++++++++++++++++++++++++-----------
 1 file changed, 25 insertions(+), 11 deletions(-)

diff --git a/openmc/stats/multivariate.py b/openmc/stats/multivariate.py
index 88beea2f7..bff8c301a 100644
--- a/openmc/stats/multivariate.py
+++ b/openmc/stats/multivariate.py
@@ -9,7 +9,7 @@ import numpy as np
 import openmc.checkvalue as cv
 from .._xml import get_text
 from .univariate import Univariate, Uniform, PowerLaw
-from ..mesh import MeshBase
+from ..mesh import MeshBase, MESHES
 
 
 class UnitSphere(ABC):
@@ -276,6 +276,8 @@ class Spatial(ABC):
             return Box.from_xml_element(elem)
         elif distribution == 'point':
             return Point.from_xml_element(elem)
+        elif distribution == 'mesh':
+            return MeshSpatial.from_xml_element(elem)
 
 
 class CartesianIndependent(Spatial):
@@ -622,29 +624,36 @@ class CylindricalIndependent(Spatial):
 class MeshSpatial(Spatial):
     """Spatial distribution for a mesh.
 
-    This distribution specifies a mesh to sample over, chooses whether it will be volume normalized, and can set the source strengths. 
+    This distribution specifies a mesh to sample over, chooses whether it will
+    be volume normalized, and can set the source strengths.
 
     .. versionadded:: 0.13
 
     Parameters
     ----------
     mesh : openmc.MeshBase
-        The mesh instance used for sampling, mesh is written into settings.xml, mesh.id is written into the source distribution
+        The mesh instance used for sampling, mesh is written into settings.xml,
+        mesh.id is written into the source distribution
     strengths : Iterable of Real, optional
-        A list of values which represent the weights of each element
-
+        A list of values which represent the weights of each element. If no source
+        strengths are specified, they will be equal for all mesh elements.
+    volume_normalized : bool, optional
+        Whether or not the strengths will be normalized by volume. Default is True.
 
     Attributes
     ----------
     mesh : openmc.MeshBase
-        The mesh instance used for sampling, mesh is written into settings.xml, mesh.id is written into the source distribution
+        The mesh instance used for sampling, mesh is written into settings.xml,
+        mesh.id is written into the source distribution
     strengths : Iterable of Real, optional
         A list of values which represent the weights of each element
-
+    volume_normalized : bool
+        Whether or not the strengths will be normalized by volume.
     """
 
-    def __init__(self, mesh, strengths=None, volume_normalized=True):
-        self.mesh = mesh        
+    def __init__(self,
+    mesh, strengths=None, volume_normalized=True):
+        self.mesh = mesh
         self.strengths = strengths
         self.volume_normalized = volume_normalized
 
@@ -684,7 +693,7 @@ class MeshSpatial(Spatial):
         if self.strengths == None:
             raise ValueError('Strengths are not set')
         return self.strengths.size
-                
+
     def to_xml_element(self):
         """Return XML representation of the spatial distribution
 
@@ -722,13 +731,18 @@ class MeshSpatial(Spatial):
         """
 
         mesh_id = int(elem.get('mesh_id'))
+
+        # check if this mesh has been read in from another location already
+        if mesh_id not in MESHES:
+            raise RuntimeError(f'Could not locate mesh with ID "{mesh_id}"')
+
         volume_normalized = elem.get("volume_normalized")
         volume_normalized = get_text(elem, 'volume_normalized').lower() == 'true'
         if elem.get('strengths') is not None:
             strengths = [float(b) for b in get_text(elem, 'strengths').split()]
         else:
             strengths = None
-        return cls(volume_normalized, mesh_id, strengths)
+        return cls(MESHES[mesh_id], strengths, volume_normalized)
 
 
 class Box(Spatial):

From e100689c8fb84a9dcc55c784839458cec1aa8720 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 23 Dec 2022 12:13:04 -0600
Subject: [PATCH 1441/2654] Minor updates to C++ source. Fix for CDF
 distribution sampling

---
 include/openmc/distribution_spatial.h | 11 +++++----
 src/distribution_spatial.cpp          | 32 +++++++++++++--------------
 src/mesh.cpp                          | 18 +++++++--------
 3 files changed, 32 insertions(+), 29 deletions(-)

diff --git a/include/openmc/distribution_spatial.h b/include/openmc/distribution_spatial.h
index 6d771fd6b..0be6329f5 100644
--- a/include/openmc/distribution_spatial.h
+++ b/include/openmc/distribution_spatial.h
@@ -108,14 +108,17 @@ public:
   //! \return Sampled position
   Position sample(uint64_t* seed) const;
 
+  const unique_ptr<Mesh>& mesh() const { return model::meshes.at(mesh_idx_); }
+
+  int32_t n_sources() const { return this->mesh()->n_bins(); }
+
 private:
-  Mesh* mesh_ptr_;
-  int32_t mesh_idx_;
+  Mesh* mesh_ptr_ {nullptr};
+  int32_t mesh_idx_ {C_NONE};
   std::string sample_scheme_;
-  double total_strength_;
+  double total_strength_ {0.0};
   std::vector<double> mesh_CDF_;
   std::vector<double> mesh_strengths_;
-  int32_t tot_bins_;
 };
 
 //==============================================================================
diff --git a/src/distribution_spatial.cpp b/src/distribution_spatial.cpp
index a0cfec2f0..7418b483a 100644
--- a/src/distribution_spatial.cpp
+++ b/src/distribution_spatial.cpp
@@ -198,21 +198,18 @@ MeshSpatial::MeshSpatial(pugi::xml_node node)
   mesh_ptr_ = dynamic_cast<Mesh*>(model::meshes[mesh_idx_].get());
   if (!mesh_ptr_) {fatal_error("Mesh passed to spatial distribution is not a mesh object"); }
 
-  // Initialize arrays for CDF creation
-  tot_bins_ = mesh_ptr_->n_bins();
-  std::vector<double> strengths = {};
-  strengths.resize(tot_bins_);
-  double temp_total_strength = 0.0;
-  mesh_CDF_.resize(tot_bins_+1);
+  int32_t n_bins = this->n_sources();
+  std::vector<double> strengths(n_bins, 0.0);
+
+  mesh_CDF_.resize(n_bins+1);
   mesh_CDF_[0] = {0.0};
   total_strength_ = 0.0;
-  mesh_strengths_.resize(tot_bins_);
+  mesh_strengths_.resize(n_bins);
 
   // Create cdfs for sampling for an element over a mesh
   // Volume scheme is weighted by the volume of each tet
   // File scheme is weighted by an array given in the xml file
-
-  mesh_strengths_ = std::vector<double>(tot_bins_, 1.0);
+  mesh_strengths_ = std::vector<double>(n_bins, 1.0);
   if (check_for_node(node, "strengths")) {
       strengths = get_node_array<double>(node, "strengths");
       if (strengths.size() != mesh_strengths_.size()){
@@ -222,24 +219,27 @@ MeshSpatial::MeshSpatial(pugi::xml_node node)
   }
 
   if (get_node_value_bool(node, "volume_normalized")) {
-    for (int i = 0; i < tot_bins_; i++) {
+    for (int i = 0; i < n_bins; i++) {
       mesh_strengths_[i] *= mesh_ptr_->volume(i);
     }
   }
 
-  for (int i = 0; i<tot_bins_; i++){
-    temp_total_strength = temp_total_strength + mesh_strengths_[i];
-  }
-  total_strength_ = temp_total_strength;
-  for (int i = 0; i<tot_bins_; i++){
+  total_strength_ = std::accumulate(mesh_strengths_.begin(), mesh_strengths_.end(), 0.0);
+
+  for (int i = 0; i < n_bins; i++) {
     mesh_CDF_[i+1] = mesh_CDF_[i] + mesh_strengths_[i]/total_strength_;
   }
+
+  if (fabs(mesh_CDF_.back() - 1.0) > FP_COINCIDENT) {
+    fatal_error(fmt::format("Mesh sampling CDF is incorrectly formed. Final value is: {}", mesh_CDF_.back()));
+  }
+  mesh_CDF_.back() = 1.0;
 }
 
 Position MeshSpatial::sample(uint64_t* seed) const
 {
   // Create random variable for sampling element from mesh
-  float eta = prn(seed);
+  double eta = prn(seed);
   // Sample over the CDF defined in initialization above
   int32_t elem_bin = lower_bound_index(mesh_CDF_.begin(), mesh_CDF_.end(), eta);
   return mesh_ptr_->sample(seed, elem_bin);
diff --git a/src/mesh.cpp b/src/mesh.cpp
index 453ce572b..abb6f8b8c 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -219,9 +219,9 @@ Position UnstructuredMesh::sample_tet(std::array<Position, 4> coords, uint64_t*
       u = old_s + t + u - 1;
     }
   }
-  return s*(coords[1]-coords[0]) 
-    + t*(coords[2]-coords[0]) 
-    + u*(coords[3]-coords[0]) 
+  return s*(coords[1]-coords[0])
+    + t*(coords[2]-coords[0])
+    + u*(coords[3]-coords[0])
     + coords[0];
 
 }
@@ -358,12 +358,12 @@ StructuredMesh::MeshIndex StructuredMesh::get_indices_from_bin(int bin) const
   return ijk;
 }
 
-Position StructuredMesh::sample(uint64_t* seed, int32_t bin) const 
+Position StructuredMesh::sample(uint64_t* seed, int32_t bin) const
 {
   fatal_error("Position sampling on structured meshes is not yet implemented");
-} 
+}
 
-double StructuredMesh::volume(int bin) const 
+double StructuredMesh::volume(int bin) const
 {
   fatal_error("Unable to get volume of structured mesh, not yet implemented");
 }
@@ -2111,7 +2111,7 @@ Position MOABMesh::sample(uint64_t* seed, int32_t bin) const {
   for (int i = 0; i < 4; i++) {
     tet_verts[i] = {p[i][0], p[i][1], p[i][2]};
   }
-  // Samples position within tet using Barycentric stuff  
+  // Samples position within tet using Barycentric stuff
   Position r = this->sample_tet(tet_verts, seed);
 
   return r;
@@ -2579,7 +2579,7 @@ Position LibMesh::sample(uint64_t* seed, int32_t bin) const {
     auto node_ref = elem.node_ref(i);
     tet_verts[i] = {node_ref(0), node_ref(1), node_ref(2)};
   }
-  // Samples position within tet using Barycentric coordinates  
+  // Samples position within tet using Barycentric coordinates
   Position r = this->sample_tet(tet_verts, seed);
 
   return r;
@@ -2766,7 +2766,7 @@ const libMesh::Elem& LibMesh::get_element_from_bin(int bin) const
 
 double LibMesh::volume(int bin) const
 {
-  return m_->elem_ref(bin).volume();
+  return this->get_element_from_bin(bin).volume();
 }
 
 #endif // LIBMESH

From 8e6ce2e16f00c9c61eaef699dc85adec075a75d0 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 23 Dec 2022 12:13:35 -0600
Subject: [PATCH 1442/2654] Updates to unstructured mesh sampling tests.

---
 .../source_sampling/inputs_true0.dat          |   6 -
 .../source_sampling/inputs_true1.dat          |   6 -
 .../source_sampling/inputs_true2.dat          |   6 -
 .../source_sampling/inputs_true3.dat          |   6 -
 .../unstructured_mesh/source_sampling/test.py | 109 +++++++++---------
 5 files changed, 56 insertions(+), 77 deletions(-)

diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true0.dat b/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true0.dat
index c85bdd920..d632825ba 100644
--- a/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true0.dat
+++ b/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true0.dat
@@ -1058,9 +1058,3 @@
   </mesh>
   <max_tracks>10000</max_tracks>
 </settings>
-<?xml version='1.0' encoding='utf-8'?>
-<tallies>
-  <tally id="1">
-    <scores>scatter total absorption</scores>
-  </tally>
-</tallies>
diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true1.dat b/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true1.dat
index dca3958c3..7ea0a1bd7 100644
--- a/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true1.dat
+++ b/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true1.dat
@@ -1060,9 +1060,3 @@
   </mesh>
   <max_tracks>10000</max_tracks>
 </settings>
-<?xml version='1.0' encoding='utf-8'?>
-<tallies>
-  <tally id="1">
-    <scores>scatter total absorption</scores>
-  </tally>
-</tallies>
diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true2.dat b/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true2.dat
index be58bd8f9..24c9400c9 100644
--- a/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true2.dat
+++ b/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true2.dat
@@ -1058,9 +1058,3 @@
   </mesh>
   <max_tracks>10000</max_tracks>
 </settings>
-<?xml version='1.0' encoding='utf-8'?>
-<tallies>
-  <tally id="1">
-    <scores>scatter total absorption</scores>
-  </tally>
-</tallies>
diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true3.dat b/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true3.dat
index 5003e7b1b..b4a17a948 100644
--- a/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true3.dat
+++ b/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true3.dat
@@ -1060,9 +1060,3 @@
   </mesh>
   <max_tracks>10000</max_tracks>
 </settings>
-<?xml version='1.0' encoding='utf-8'?>
-<tallies>
-  <tally id="1">
-    <scores>scatter total absorption</scores>
-  </tally>
-</tallies>
diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/test.py b/tests/regression_tests/unstructured_mesh/source_sampling/test.py
index 46d1e0cb0..b0473a839 100644
--- a/tests/regression_tests/unstructured_mesh/source_sampling/test.py
+++ b/tests/regression_tests/unstructured_mesh/source_sampling/test.py
@@ -14,10 +14,13 @@ from subprocess import call
 
 TETS_PER_VOXEL = 12
 
+# This test uses a geometry file that resembles a regular mesh.
+# 12 tets are used to match each voxel in the geometry.
+
 class UnstructuredMeshSourceTest(PyAPITestHarness):
-    def __init__(self, statepoint_name, model, inputs_true, schemes):
+    def __init__(self, statepoint_name, model, inputs_true, source_strengths):
         super().__init__(statepoint_name, model, inputs_true)
-        self.schemes = schemes
+        self.source_strengths = source_strengths
 
     def _run_openmc(self):
         kwargs = {'openmc_exec' : config['exe'],
@@ -30,36 +33,43 @@ class UnstructuredMeshSourceTest(PyAPITestHarness):
         openmc.run(**kwargs)
 
     def _compare_results(self):
-        # There are 10000 particles and 1000 hexes, this leads to the average
-        # shown below
+        # This model contains 1000 geometry cells. Each cell is a hex
+        # corresponding to 12 of the tets. This test runs 10000 particles. This
+        #  results in the following average for each cell
+
+        # we can compute this based on the number of particles run in the simulation
         average_in_hex = 10.0
 
         # Load in tracks
         if config['mpi']:
             openmc.Tracks.combine(glob.glob('tracks_p*.h5'))
-        
+
         tracks = openmc.Tracks(filepath='tracks.h5')
         tracks_born = np.empty((len(tracks), 1))
 
-        instances = np.zeros(1000)
+        # create an array with an entry for each geometric cell
+        cell_counts = np.zeros(1000)
 
         # loop over the tracks and get data
         for i in range(0, len(tracks)):
+            # get the initial cell ID of the track, and assign it for the tracks_born array
             tracks_born[i] = tracks[i].particle_tracks[0].states['cell_id'][0]
-            instances[int(tracks_born[i])-1] += 1
+            # increment the cell_counts entry for this cell_id
+            cell_counts[int(tracks_born[i])-1] += 1
 
-        if self.schemes == "file":
-            assert(instances[0] > 0 and instances[1] > 0)
-            assert(instances[0] > instances[1])
+        if self.source_strengths == 'manual':
+            assert(cell_counts[0] > 0 and cell_counts[1] > 0)
+            assert(cell_counts[0] > cell_counts[1])
 
-            for i in range(2, len(instances)):
-                assert(instances[i] == 0)
+            # counts for all other cells should be zero
+            for i in range(2, len(cell_counts)):
+                assert(cell_counts[i] == 0)
 
         else:
-            assert(np.average(instances) == average_in_hex)
-            assert(np.std(instances) < np.average(instances))
-            assert(np.amax(instances) < np.average(instances)+6*np.std(instances))
-
+            # check that the average number of source sites in each cell
+            assert(np.average(cell_counts) == average_in_hex) # this probably shouldn't be exact???
+            assert(np.std(cell_counts) < np.average(cell_counts))
+            assert(np.amax(cell_counts) < np.average(cell_counts)+6*np.std(cell_counts))
 
     def _cleanup(self):
         super()._cleanup()
@@ -70,24 +80,23 @@ class UnstructuredMeshSourceTest(PyAPITestHarness):
                 os.remove(f)
 
 param_values = (['libmesh', 'moab'], # mesh libraries
-                ['volume', 'file']) # Element weighting schemes
+                ['uniform', 'manual']) # Element weighting schemes
 
 test_cases = []
 for i, (lib, schemes) in enumerate(product(*param_values)):
     test_cases.append({'library' : lib,
-                       'schemes' : schemes,
+                       'source_strengths' : schemes,
                        'inputs_true' : 'inputs_true{}.dat'.format(i)})
 
-@pytest.mark.parametrize("test_opts", test_cases)
-def test_unstructured_mesh(test_opts):
-
+@pytest.mark.parametrize("test_cases", test_cases)
+def test_unstructured_mesh_sampling(test_cases):
     openmc.reset_auto_ids()
 
     # skip the test if the library is not enabled
-    if test_opts['library'] == 'moab' and not openmc.lib._dagmc_enabled():
+    if test_cases['library'] == 'moab' and not openmc.lib._dagmc_enabled():
         pytest.skip("DAGMC (and MOAB) mesh not enabled in this build.")
 
-    if test_opts['library'] == 'libmesh' and not openmc.lib._libmesh_enabled():
+    if test_cases['library'] == 'libmesh' and not openmc.lib._libmesh_enabled():
         pytest.skip("LibMesh is not enabled in this build.")
 
     ### Materials ###
@@ -134,38 +143,34 @@ def test_unstructured_mesh(test_opts):
 
     geometry = openmc.Geometry(universe)
 
-    mesh_filename = "test_mesh_tets.e"
-
-    uscd_mesh = openmc.UnstructuredMesh(mesh_filename, test_opts['library'])
-
-    ### Tallies ###
-
-    # create tallies
-    tallies = openmc.Tallies()
-
-    tally1 = openmc.Tally(1)
-    tally1.scores = ['scatter', 'total', 'absorption']
-    # Export tallies
-    tallies = openmc.Tallies([tally1])
-    tallies.export_to_xml()
-
     ### Settings ###
     settings = openmc.Settings()
     settings.run_mode = 'fixed source'
     settings.particles = 5000
     settings.batches = 2
 
-    settings.max_tracks = 10000
+    settings.max_tracks = settings.particles * settings.batches
 
-    # source setup
-    if test_opts['schemes'] == 'volume':
-        space = openmc.stats.MeshSpatial(volume_normalized=True, mesh=uscd_mesh)
-    elif test_opts['schemes'] == 'file':
-        array = np.zeros(12000)
-        for i in range(0, 12):
-            array[i] = 10
-            array[i+12] = 2
-        space = openmc.stats.MeshSpatial(volume_normalized=False, strengths=array, mesh=uscd_mesh)
+    ### Source ###
+    mesh_filename = "test_mesh_tets.e"
+
+    uscd_mesh = openmc.UnstructuredMesh(mesh_filename, test_cases['library'])
+
+    # set source weights according to test case
+    if test_cases['source_strengths'] == 'uniform':
+        vol_norm = True
+        strengths = None
+
+    elif test_cases['source_strengths'] == 'manual':
+        vol_norm = False
+        strengths = np.zeros(12000)
+        # set non-zero strengths only for the tets corresponding to the
+        # first two geometric hex cells
+        strengths[0:12] = 10
+        strengths[12:24] = 2
+
+    # create the spatial distribution based on the mesh
+    space = openmc.stats.MeshSpatial(uscd_mesh, strengths, vol_norm)
 
     energy = openmc.stats.Discrete(x=[15.e+06], p=[1.0])
     source = openmc.Source(space=space, energy=energy)
@@ -173,11 +178,9 @@ def test_unstructured_mesh(test_opts):
 
     model = openmc.model.Model(geometry=geometry,
                                materials=materials,
-                               tallies=tallies,
                                settings=settings)
-
     harness = UnstructuredMeshSourceTest('statepoint.2.h5',
                                          model,
-                                         test_opts['inputs_true'],
-                                         test_opts['schemes'])
-    harness.main()
+                                         test_cases['inputs_true'],
+                                         test_cases['source_strengths'])
+    harness.main()
\ No newline at end of file

From 03811745a06208ebf8d749d85fe9ba92c9251ca9 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 23 Dec 2022 14:33:56 -0600
Subject: [PATCH 1443/2654] Skip mesh elements without an ID due to overlap in
 name with WW element

---
 openmc/mesh.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 157e78263..e314aab3e 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -188,7 +188,7 @@ class StructuredMesh(MeshBase):
             Returns a numpy.ndarray representing the mesh element centroid
             coordinates with a shape equal to (ndim, dim1, ..., dimn). Can be
             unpacked along the first dimension with xx, yy, zz = mesh.centroids.
-            
+
 
         """
         ndim = self.n_dimension

From ce956f851546536711b6dbd44cc791ab5f72f605 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 23 Dec 2022 14:34:17 -0600
Subject: [PATCH 1444/2654] Run ww unit test in tmp dir

---
 tests/unit_tests/weightwindows/test.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/tests/unit_tests/weightwindows/test.py b/tests/unit_tests/weightwindows/test.py
index d73a52f45..1dfad56aa 100644
--- a/tests/unit_tests/weightwindows/test.py
+++ b/tests/unit_tests/weightwindows/test.py
@@ -225,7 +225,7 @@ def test_lower_ww_bounds_shape():
     assert ww.lower_ww_bounds.shape == (2, 3, 4, 1)
 
 
-def test_roundtrip(model, wws):
+def test_roundtrip(run_in_tmpdir, model, wws):
     model.settings.weight_windows = wws
 
     # write the model with weight windows to XML

From 0a83824bea30cfdd8b9fc289f6441d737ad03a02 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 23 Dec 2022 23:44:04 -0600
Subject: [PATCH 1445/2654] Improve distribution testing

---
 .../unstructured_mesh/source_sampling/test.py    | 16 +++++++++-------
 1 file changed, 9 insertions(+), 7 deletions(-)

diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/test.py b/tests/regression_tests/unstructured_mesh/source_sampling/test.py
index b0473a839..a2d23b226 100644
--- a/tests/regression_tests/unstructured_mesh/source_sampling/test.py
+++ b/tests/regression_tests/unstructured_mesh/source_sampling/test.py
@@ -18,9 +18,8 @@ TETS_PER_VOXEL = 12
 # 12 tets are used to match each voxel in the geometry.
 
 class UnstructuredMeshSourceTest(PyAPITestHarness):
-    def __init__(self, statepoint_name, model, inputs_true, source_strengths):
+    def __init__(self, statepoint_name, model, inputs_true):
         super().__init__(statepoint_name, model, inputs_true)
-        self.source_strengths = source_strengths
 
     def _run_openmc(self):
         kwargs = {'openmc_exec' : config['exe'],
@@ -57,7 +56,9 @@ class UnstructuredMeshSourceTest(PyAPITestHarness):
             # increment the cell_counts entry for this cell_id
             cell_counts[int(tracks_born[i])-1] += 1
 
-        if self.source_strengths == 'manual':
+        source_strengths = self._model.settings.source[0].space.strengths
+
+        if source_strengths is not None:
             assert(cell_counts[0] > 0 and cell_counts[1] > 0)
             assert(cell_counts[0] > cell_counts[1])
 
@@ -67,9 +68,11 @@ class UnstructuredMeshSourceTest(PyAPITestHarness):
 
         else:
             # check that the average number of source sites in each cell
+            diff = np.abs(cell_counts - average_in_hex)
+
             assert(np.average(cell_counts) == average_in_hex) # this probably shouldn't be exact???
-            assert(np.std(cell_counts) < np.average(cell_counts))
-            assert(np.amax(cell_counts) < np.average(cell_counts)+6*np.std(cell_counts))
+            assert((diff < 2*cell_counts.std()).sum() / diff.size >= 0.75)
+            assert((diff < 6*cell_counts.std()).sum() / diff.size >= 0.97)
 
     def _cleanup(self):
         super()._cleanup()
@@ -181,6 +184,5 @@ def test_unstructured_mesh_sampling(test_cases):
                                settings=settings)
     harness = UnstructuredMeshSourceTest('statepoint.2.h5',
                                          model,
-                                         test_cases['inputs_true'],
-                                         test_cases['source_strengths'])
+                                         test_cases['inputs_true'])
     harness.main()
\ No newline at end of file

From 2779902287af68278e8a8f0be9930f6e4f9462c4 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Mon, 26 Dec 2022 15:24:43 -0600
Subject: [PATCH 1446/2654] Refactoring mesh sampling test to use openmc.lib.
 Making model a fixture

---
 .../unstructured_mesh/source_sampling/test.py | 262 ++++++++----------
 1 file changed, 118 insertions(+), 144 deletions(-)

diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/test.py b/tests/regression_tests/unstructured_mesh/source_sampling/test.py
index a2d23b226..3e1609426 100644
--- a/tests/regression_tests/unstructured_mesh/source_sampling/test.py
+++ b/tests/regression_tests/unstructured_mesh/source_sampling/test.py
@@ -8,55 +8,141 @@ import numpy as np
 import openmc
 import openmc.lib
 
-from tests.testing_harness import PyAPITestHarness
+from tests import cdtemp
 from tests.regression_tests import config
 from subprocess import call
 
 TETS_PER_VOXEL = 12
 
-# This test uses a geometry file that resembles a regular mesh.
-# 12 tets are used to match each voxel in the geometry.
 
-class UnstructuredMeshSourceTest(PyAPITestHarness):
-    def __init__(self, statepoint_name, model, inputs_true):
-        super().__init__(statepoint_name, model, inputs_true)
+@pytest.fixture
+def model():
+    ### Materials ###
+    materials = openmc.Materials()
 
-    def _run_openmc(self):
-        kwargs = {'openmc_exec' : config['exe'],
-                  'event_based' : config['event'],
-                  'tracks' : "True"}
+    water_mat = openmc.Material(material_id=3, name="water")
+    water_mat.add_nuclide("H1", 2.0)
+    water_mat.add_nuclide("O16", 1.0)
+    water_mat.set_density("atom/b-cm", 0.07416)
+    materials.append(water_mat)
 
-        if config['mpi']:
-            kwargs['mpi_args'] = [config['mpiexec'], '-n', config['mpi_np']]
+    ### Geometry ###
+    # This test uses a geometry file that resembles a regular mesh.
+    # 12 tets are used to match each voxel in the geometry.
 
-        openmc.run(**kwargs)
+    dimen = 10
+    size_hex = 20.0 / dimen
+
+    cells = np.empty((dimen, dimen, dimen), dtype=object)
+    surfaces = np.empty((dimen + 1, 3), dtype=object)
+
+    geometry = openmc.Geometry()
+    universe = openmc.Universe(universe_id=1, name="Contains all hexes")
+
+    for i in range(0,dimen+1):
+        coord = -dimen + i * size_hex
+        surfaces[i][0] = openmc.XPlane(coord, name=f"X plane at {coord}")
+        surfaces[i][1] = openmc.YPlane(coord, name=f"Y plane at {coord}")
+        surfaces[i][2] = openmc.ZPlane(coord, name=f"Z plane at {coord}")
+
+        surfaces[i][0].boundary_type = 'vacuum'
+        surfaces[i][1].boundary_type = 'vacuum'
+        surfaces[i][2].boundary_type = 'vacuum'
+
+    for (k, j, i) in np.ndindex(cells.shape):
+        cells[i][j][k] = openmc.Cell(name=("x = {}, y = {}, z = {}".format(i,j,k)))
+        cells[i][j][k].region = +surfaces[i][0] & -surfaces[i+1][0] & \
+                                +surfaces[j][1] & -surfaces[j+1][1] & \
+                                +surfaces[k][2] & -surfaces[k+1][2]
+        cells[i][j][k].fill = None
+
+        universe.add_cell(cells[i][j][k])
+
+    geometry = openmc.Geometry(universe)
+
+    ### Settings ###
+    settings = openmc.Settings()
+    settings.run_mode = 'fixed source'
+    settings.particles = 5000
+    settings.batches = 2
+
+    return openmc.model.Model(geometry=geometry,
+                              materials=materials,
+                              settings=settings)
+
+
+param_values = (['libmesh', 'moab'], # mesh libraries
+                ['uniform', 'manual']) # Element weighting schemes
+
+test_cases = []
+for i, (lib, schemes) in enumerate(product(*param_values)):
+    test_cases.append({'library' : lib,
+                       'source_strengths' : schemes,
+                       'inputs_true' : 'inputs_true{}.dat'.format(i)})
+
+def ids(params):
+    return f"{params['library']}-{params['source_strengths']}"
+
+@pytest.mark.parametrize("test_cases", test_cases, ids=ids)
+def test_unstructured_mesh_sampling(model, test_cases):
+    # skip the test if the library is not enabled
+    if test_cases['library'] == 'moab' and not openmc.lib._dagmc_enabled():
+        pytest.skip("DAGMC (and MOAB) mesh not enabled in this build.")
+
+    if test_cases['library'] == 'libmesh' and not openmc.lib._libmesh_enabled():
+        pytest.skip("LibMesh is not enabled in this build.")
+
+    # setup mesh source ###
+    mesh_filename = "test_mesh_tets.e"
+
+    uscd_mesh = openmc.UnstructuredMesh(mesh_filename, test_cases['library'])
+
+    n_cells = len(model.geometry.get_all_cells())
+
+    # set source weights according to test case
+    if test_cases['source_strengths'] == 'uniform':
+        vol_norm = True
+        strengths = None
+    elif test_cases['source_strengths'] == 'manual':
+        vol_norm = False
+        strengths = np.zeros(n_cells*TETS_PER_VOXEL)
+        # set non-zero strengths only for the tets corresponding to the
+        # first two geometric hex cells
+        strengths[0:TETS_PER_VOXEL] = 10
+        strengths[TETS_PER_VOXEL:2*TETS_PER_VOXEL] = 2
+
+    # create the spatial distribution based on the mesh
+    space = openmc.stats.MeshSpatial(uscd_mesh, strengths, vol_norm)
+
+    energy = openmc.stats.Discrete(x=[15.e+06], p=[1.0])
+    source = openmc.Source(space=space, energy=energy)
+    model.settings.source = source
+
+    with cdtemp(['test_mesh_tets.e', 'test_mesh_tets.exo']):
+        model.export_to_xml()
+
+        n_cells = len(model.geometry.get_all_cells())
+
+        n_samples = 100000
+
+        cell_counts = np.zeros(n_cells)
 
-    def _compare_results(self):
         # This model contains 1000 geometry cells. Each cell is a hex
         # corresponding to 12 of the tets. This test runs 10000 particles. This
         #  results in the following average for each cell
+        average_in_hex = n_samples / n_cells
 
-        # we can compute this based on the number of particles run in the simulation
-        average_in_hex = 10.0
+        openmc.lib.init([])
 
-        # Load in tracks
-        if config['mpi']:
-            openmc.Tracks.combine(glob.glob('tracks_p*.h5'))
+        sites = openmc.lib.sample_external_source(n_samples)
+        cells = [openmc.lib.find_cell(s.r) for s in sites]
 
-        tracks = openmc.Tracks(filepath='tracks.h5')
-        tracks_born = np.empty((len(tracks), 1))
+        openmc.lib.finalize()
 
-        # create an array with an entry for each geometric cell
-        cell_counts = np.zeros(1000)
+        for c in cells:
+            cell_counts[c[0]._index] += 1
 
-        # loop over the tracks and get data
-        for i in range(0, len(tracks)):
-            # get the initial cell ID of the track, and assign it for the tracks_born array
-            tracks_born[i] = tracks[i].particle_tracks[0].states['cell_id'][0]
-            # increment the cell_counts entry for this cell_id
-            cell_counts[int(tracks_born[i])-1] += 1
-
-        source_strengths = self._model.settings.source[0].space.strengths
+        source_strengths = model.settings.source[0].space.strengths
 
         if source_strengths is not None:
             assert(cell_counts[0] > 0 and cell_counts[1] > 0)
@@ -68,121 +154,9 @@ class UnstructuredMeshSourceTest(PyAPITestHarness):
 
         else:
             # check that the average number of source sites in each cell
+            # is within the expected deviation
             diff = np.abs(cell_counts - average_in_hex)
 
             assert(np.average(cell_counts) == average_in_hex) # this probably shouldn't be exact???
             assert((diff < 2*cell_counts.std()).sum() / diff.size >= 0.75)
             assert((diff < 6*cell_counts.std()).sum() / diff.size >= 0.97)
-
-    def _cleanup(self):
-        super()._cleanup()
-        output = glob.glob('track*.h5')
-        output += glob.glob('tally*.e')
-        for f in output:
-            if os.path.exists(f):
-                os.remove(f)
-
-param_values = (['libmesh', 'moab'], # mesh libraries
-                ['uniform', 'manual']) # Element weighting schemes
-
-test_cases = []
-for i, (lib, schemes) in enumerate(product(*param_values)):
-    test_cases.append({'library' : lib,
-                       'source_strengths' : schemes,
-                       'inputs_true' : 'inputs_true{}.dat'.format(i)})
-
-@pytest.mark.parametrize("test_cases", test_cases)
-def test_unstructured_mesh_sampling(test_cases):
-    openmc.reset_auto_ids()
-
-    # skip the test if the library is not enabled
-    if test_cases['library'] == 'moab' and not openmc.lib._dagmc_enabled():
-        pytest.skip("DAGMC (and MOAB) mesh not enabled in this build.")
-
-    if test_cases['library'] == 'libmesh' and not openmc.lib._libmesh_enabled():
-        pytest.skip("LibMesh is not enabled in this build.")
-
-    ### Materials ###
-    materials = openmc.Materials()
-
-    water_mat = openmc.Material(material_id=3, name="water")
-    water_mat.add_nuclide("H1", 2.0)
-    water_mat.add_nuclide("O16", 1.0)
-    water_mat.set_density("atom/b-cm", 0.07416)
-    materials.append(water_mat)
-
-    materials.export_to_xml()
-
-    ### Geometry ###
-    dimen = 10
-    size_hex = 20.0 / dimen
-
-    ### Geometry ###
-    cell = np.empty((dimen, dimen, dimen), dtype=object)
-    surfaces = np.empty((dimen + 1, 3), dtype=object)
-
-    geometry = openmc.Geometry()
-    universe = openmc.Universe(universe_id=1, name="Contains all hexes")
-
-    for i in range(0,dimen+1):
-        coord = -10.0 + i * size_hex
-        surfaces[i][0] = openmc.XPlane(coord, name=f"X plane at {coord}")
-        surfaces[i][1] = openmc.YPlane(coord, name=f"Y plane at {coord}")
-        surfaces[i][2] = openmc.ZPlane(coord, name=f"Z plane at {coord}")
-
-        surfaces[i][0].boundary_type = 'vacuum'
-        surfaces[i][1].boundary_type = 'vacuum'
-        surfaces[i][2].boundary_type = 'vacuum'
-
-    for k in range(0,dimen):
-        for j in range(0,dimen):
-            for i in range(0,dimen):
-                cell[i][j][k] = openmc.Cell(name=("x = {}, y = {}, z = {}".format(i,j,k)))
-                cell[i][j][k].region = +surfaces[i][0] & -surfaces[i+1][0] & \
-                                       +surfaces[j][1] & -surfaces[j+1][1] & \
-                                       +surfaces[k][2] & -surfaces[k+1][2]
-                cell[i][j][k].fill = None
-                universe.add_cell(cell[i][j][k])
-
-    geometry = openmc.Geometry(universe)
-
-    ### Settings ###
-    settings = openmc.Settings()
-    settings.run_mode = 'fixed source'
-    settings.particles = 5000
-    settings.batches = 2
-
-    settings.max_tracks = settings.particles * settings.batches
-
-    ### Source ###
-    mesh_filename = "test_mesh_tets.e"
-
-    uscd_mesh = openmc.UnstructuredMesh(mesh_filename, test_cases['library'])
-
-    # set source weights according to test case
-    if test_cases['source_strengths'] == 'uniform':
-        vol_norm = True
-        strengths = None
-
-    elif test_cases['source_strengths'] == 'manual':
-        vol_norm = False
-        strengths = np.zeros(12000)
-        # set non-zero strengths only for the tets corresponding to the
-        # first two geometric hex cells
-        strengths[0:12] = 10
-        strengths[12:24] = 2
-
-    # create the spatial distribution based on the mesh
-    space = openmc.stats.MeshSpatial(uscd_mesh, strengths, vol_norm)
-
-    energy = openmc.stats.Discrete(x=[15.e+06], p=[1.0])
-    source = openmc.Source(space=space, energy=energy)
-    settings.source = source
-
-    model = openmc.model.Model(geometry=geometry,
-                               materials=materials,
-                               settings=settings)
-    harness = UnstructuredMeshSourceTest('statepoint.2.h5',
-                                         model,
-                                         test_cases['inputs_true'])
-    harness.main()
\ No newline at end of file

From ef14e0e8006dc1a8751299ade65d8f485123c3c4 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Mon, 26 Dec 2022 22:29:15 -0600
Subject: [PATCH 1447/2654] Separating tests into unit and regression tests.

---
 .../source_sampling/inputs_true0.dat          |    7 +-
 .../source_sampling/inputs_true1.dat          |    3 +-
 .../source_sampling/inputs_true2.dat          | 1060 ----------------
 .../source_sampling/inputs_true3.dat          | 1062 -----------------
 .../unstructured_mesh/source_sampling/test.py |  106 +-
 tests/unit_tests/test_mesh_tets.e             |    1 +
 tests/unit_tests/test_source_mesh.py          |  154 +++
 7 files changed, 187 insertions(+), 2206 deletions(-)
 delete mode 100644 tests/regression_tests/unstructured_mesh/source_sampling/inputs_true2.dat
 delete mode 100644 tests/regression_tests/unstructured_mesh/source_sampling/inputs_true3.dat
 create mode 120000 tests/unit_tests/test_mesh_tets.e
 create mode 100644 tests/unit_tests/test_source_mesh.py

diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true0.dat b/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true0.dat
index d632825ba..43942c473 100644
--- a/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true0.dat
+++ b/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true0.dat
@@ -1045,10 +1045,12 @@
 <?xml version='1.0' encoding='utf-8'?>
 <settings>
   <run_mode>fixed source</run_mode>
-  <particles>5000</particles>
+  <particles>100</particles>
   <batches>2</batches>
   <source strength="1.0">
-    <space mesh_id="1" type="mesh" volume_normalized="True" />
+    <space mesh_id="1" type="mesh" volume_normalized="False">
+      <strengths>10.0 10.0 10.0 10.0 10.0 10.0 10.0 10.0 10.0 10.0 10.0 10.0 2.0 2.0 2.0 2.0 2.0 2.0 2.0 2.0 2.0 2.0 2.0 2.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 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0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0</strengths>
+    </space>
     <energy type="discrete">
       <parameters>15000000.0 1.0</parameters>
     </energy>
@@ -1056,5 +1058,4 @@
   <mesh id="1" library="libmesh" type="unstructured">
     <filename>test_mesh_tets.e</filename>
   </mesh>
-  <max_tracks>10000</max_tracks>
 </settings>
diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true1.dat b/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true1.dat
index 7ea0a1bd7..43942c473 100644
--- a/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true1.dat
+++ b/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true1.dat
@@ -1045,7 +1045,7 @@
 <?xml version='1.0' encoding='utf-8'?>
 <settings>
   <run_mode>fixed source</run_mode>
-  <particles>5000</particles>
+  <particles>100</particles>
   <batches>2</batches>
   <source strength="1.0">
     <space mesh_id="1" type="mesh" volume_normalized="False">
@@ -1058,5 +1058,4 @@
   <mesh id="1" library="libmesh" type="unstructured">
     <filename>test_mesh_tets.e</filename>
   </mesh>
-  <max_tracks>10000</max_tracks>
 </settings>
diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true2.dat b/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true2.dat
deleted file mode 100644
index 24c9400c9..000000000
--- a/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true2.dat
+++ /dev/null
@@ -1,1060 +0,0 @@
-<?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell id="1" material="void" name="x = 0, y = 0, z = 0" region="1 -4 2 -5 3 -6" universe="1" />
-  <cell id="2" material="void" name="x = 1, y = 0, z = 0" region="4 -7 2 -5 3 -6" universe="1" />
-  <cell id="3" material="void" name="x = 2, y = 0, z = 0" region="7 -10 2 -5 3 -6" universe="1" />
-  <cell id="4" material="void" name="x = 3, y = 0, z = 0" region="10 -13 2 -5 3 -6" universe="1" />
-  <cell id="5" material="void" name="x = 4, y = 0, z = 0" region="13 -16 2 -5 3 -6" universe="1" />
-  <cell id="6" material="void" name="x = 5, y = 0, z = 0" region="16 -19 2 -5 3 -6" universe="1" />
-  <cell id="7" material="void" name="x = 6, y = 0, z = 0" region="19 -22 2 -5 3 -6" universe="1" />
-  <cell id="8" material="void" name="x = 7, y = 0, z = 0" region="22 -25 2 -5 3 -6" universe="1" />
-  <cell id="9" material="void" name="x = 8, y = 0, z = 0" region="25 -28 2 -5 3 -6" universe="1" />
-  <cell id="10" material="void" name="x = 9, y = 0, z = 0" region="28 -31 2 -5 3 -6" universe="1" />
-  <cell id="11" material="void" name="x = 0, y = 1, z = 0" region="1 -4 5 -8 3 -6" universe="1" />
-  <cell id="12" material="void" name="x = 1, y = 1, z = 0" region="4 -7 5 -8 3 -6" universe="1" />
-  <cell id="13" material="void" name="x = 2, y = 1, z = 0" region="7 -10 5 -8 3 -6" universe="1" />
-  <cell id="14" material="void" name="x = 3, y = 1, z = 0" region="10 -13 5 -8 3 -6" universe="1" />
-  <cell id="15" material="void" name="x = 4, y = 1, z = 0" region="13 -16 5 -8 3 -6" universe="1" />
-  <cell id="16" material="void" name="x = 5, y = 1, z = 0" region="16 -19 5 -8 3 -6" universe="1" />
-  <cell id="17" material="void" name="x = 6, y = 1, z = 0" region="19 -22 5 -8 3 -6" universe="1" />
-  <cell id="18" material="void" name="x = 7, y = 1, z = 0" region="22 -25 5 -8 3 -6" universe="1" />
-  <cell id="19" material="void" name="x = 8, y = 1, z = 0" region="25 -28 5 -8 3 -6" universe="1" />
-  <cell id="20" material="void" name="x = 9, y = 1, z = 0" region="28 -31 5 -8 3 -6" universe="1" />
-  <cell id="21" material="void" name="x = 0, y = 2, z = 0" region="1 -4 8 -11 3 -6" universe="1" />
-  <cell id="22" material="void" name="x = 1, y = 2, z = 0" region="4 -7 8 -11 3 -6" universe="1" />
-  <cell id="23" material="void" name="x = 2, y = 2, z = 0" region="7 -10 8 -11 3 -6" universe="1" />
-  <cell id="24" material="void" name="x = 3, y = 2, z = 0" region="10 -13 8 -11 3 -6" universe="1" />
-  <cell id="25" material="void" name="x = 4, y = 2, z = 0" region="13 -16 8 -11 3 -6" universe="1" />
-  <cell id="26" material="void" name="x = 5, y = 2, z = 0" region="16 -19 8 -11 3 -6" universe="1" />
-  <cell id="27" material="void" name="x = 6, y = 2, z = 0" region="19 -22 8 -11 3 -6" universe="1" />
-  <cell id="28" material="void" name="x = 7, y = 2, z = 0" region="22 -25 8 -11 3 -6" universe="1" />
-  <cell id="29" material="void" name="x = 8, y = 2, z = 0" region="25 -28 8 -11 3 -6" universe="1" />
-  <cell id="30" material="void" name="x = 9, y = 2, z = 0" region="28 -31 8 -11 3 -6" universe="1" />
-  <cell id="31" material="void" name="x = 0, y = 3, z = 0" region="1 -4 11 -14 3 -6" universe="1" />
-  <cell id="32" material="void" name="x = 1, y = 3, z = 0" region="4 -7 11 -14 3 -6" universe="1" />
-  <cell id="33" material="void" name="x = 2, y = 3, z = 0" region="7 -10 11 -14 3 -6" universe="1" />
-  <cell id="34" material="void" name="x = 3, y = 3, z = 0" region="10 -13 11 -14 3 -6" universe="1" />
-  <cell id="35" material="void" name="x = 4, y = 3, z = 0" region="13 -16 11 -14 3 -6" universe="1" />
-  <cell id="36" material="void" name="x = 5, y = 3, z = 0" region="16 -19 11 -14 3 -6" universe="1" />
-  <cell id="37" material="void" name="x = 6, y = 3, z = 0" region="19 -22 11 -14 3 -6" universe="1" />
-  <cell id="38" material="void" name="x = 7, y = 3, z = 0" region="22 -25 11 -14 3 -6" universe="1" />
-  <cell id="39" material="void" name="x = 8, y = 3, z = 0" region="25 -28 11 -14 3 -6" universe="1" />
-  <cell id="40" material="void" name="x = 9, y = 3, z = 0" region="28 -31 11 -14 3 -6" universe="1" />
-  <cell id="41" material="void" name="x = 0, y = 4, z = 0" region="1 -4 14 -17 3 -6" universe="1" />
-  <cell id="42" material="void" name="x = 1, y = 4, z = 0" region="4 -7 14 -17 3 -6" universe="1" />
-  <cell id="43" material="void" name="x = 2, y = 4, z = 0" region="7 -10 14 -17 3 -6" universe="1" />
-  <cell id="44" material="void" name="x = 3, y = 4, z = 0" region="10 -13 14 -17 3 -6" universe="1" />
-  <cell id="45" material="void" name="x = 4, y = 4, z = 0" region="13 -16 14 -17 3 -6" universe="1" />
-  <cell id="46" material="void" name="x = 5, y = 4, z = 0" region="16 -19 14 -17 3 -6" universe="1" />
-  <cell id="47" material="void" name="x = 6, y = 4, z = 0" region="19 -22 14 -17 3 -6" universe="1" />
-  <cell id="48" material="void" name="x = 7, y = 4, z = 0" region="22 -25 14 -17 3 -6" universe="1" />
-  <cell id="49" material="void" name="x = 8, y = 4, z = 0" region="25 -28 14 -17 3 -6" universe="1" />
-  <cell id="50" material="void" name="x = 9, y = 4, z = 0" region="28 -31 14 -17 3 -6" universe="1" />
-  <cell id="51" material="void" name="x = 0, y = 5, z = 0" region="1 -4 17 -20 3 -6" universe="1" />
-  <cell id="52" material="void" name="x = 1, y = 5, z = 0" region="4 -7 17 -20 3 -6" universe="1" />
-  <cell id="53" material="void" name="x = 2, y = 5, z = 0" region="7 -10 17 -20 3 -6" universe="1" />
-  <cell id="54" material="void" name="x = 3, y = 5, z = 0" region="10 -13 17 -20 3 -6" universe="1" />
-  <cell id="55" material="void" name="x = 4, y = 5, z = 0" region="13 -16 17 -20 3 -6" universe="1" />
-  <cell id="56" material="void" name="x = 5, y = 5, z = 0" region="16 -19 17 -20 3 -6" universe="1" />
-  <cell id="57" material="void" name="x = 6, y = 5, z = 0" region="19 -22 17 -20 3 -6" universe="1" />
-  <cell id="58" material="void" name="x = 7, y = 5, z = 0" region="22 -25 17 -20 3 -6" universe="1" />
-  <cell id="59" material="void" name="x = 8, y = 5, z = 0" region="25 -28 17 -20 3 -6" universe="1" />
-  <cell id="60" material="void" name="x = 9, y = 5, z = 0" region="28 -31 17 -20 3 -6" universe="1" />
-  <cell id="61" material="void" name="x = 0, y = 6, z = 0" region="1 -4 20 -23 3 -6" universe="1" />
-  <cell id="62" material="void" name="x = 1, y = 6, z = 0" region="4 -7 20 -23 3 -6" universe="1" />
-  <cell id="63" material="void" name="x = 2, y = 6, z = 0" region="7 -10 20 -23 3 -6" universe="1" />
-  <cell id="64" material="void" name="x = 3, y = 6, z = 0" region="10 -13 20 -23 3 -6" universe="1" />
-  <cell id="65" material="void" name="x = 4, y = 6, z = 0" region="13 -16 20 -23 3 -6" universe="1" />
-  <cell id="66" material="void" name="x = 5, y = 6, z = 0" region="16 -19 20 -23 3 -6" universe="1" />
-  <cell id="67" material="void" name="x = 6, y = 6, z = 0" region="19 -22 20 -23 3 -6" universe="1" />
-  <cell id="68" material="void" name="x = 7, y = 6, z = 0" region="22 -25 20 -23 3 -6" universe="1" />
-  <cell id="69" material="void" name="x = 8, y = 6, z = 0" region="25 -28 20 -23 3 -6" universe="1" />
-  <cell id="70" material="void" name="x = 9, y = 6, z = 0" region="28 -31 20 -23 3 -6" universe="1" />
-  <cell id="71" material="void" name="x = 0, y = 7, z = 0" region="1 -4 23 -26 3 -6" universe="1" />
-  <cell id="72" material="void" name="x = 1, y = 7, z = 0" region="4 -7 23 -26 3 -6" universe="1" />
-  <cell id="73" material="void" name="x = 2, y = 7, z = 0" region="7 -10 23 -26 3 -6" universe="1" />
-  <cell id="74" material="void" name="x = 3, y = 7, z = 0" region="10 -13 23 -26 3 -6" universe="1" />
-  <cell id="75" material="void" name="x = 4, y = 7, z = 0" region="13 -16 23 -26 3 -6" universe="1" />
-  <cell id="76" material="void" name="x = 5, y = 7, z = 0" region="16 -19 23 -26 3 -6" universe="1" />
-  <cell id="77" material="void" name="x = 6, y = 7, z = 0" region="19 -22 23 -26 3 -6" universe="1" />
-  <cell id="78" material="void" name="x = 7, y = 7, z = 0" region="22 -25 23 -26 3 -6" universe="1" />
-  <cell id="79" material="void" name="x = 8, y = 7, z = 0" region="25 -28 23 -26 3 -6" universe="1" />
-  <cell id="80" material="void" name="x = 9, y = 7, z = 0" region="28 -31 23 -26 3 -6" universe="1" />
-  <cell id="81" material="void" name="x = 0, y = 8, z = 0" region="1 -4 26 -29 3 -6" universe="1" />
-  <cell id="82" material="void" name="x = 1, y = 8, z = 0" region="4 -7 26 -29 3 -6" universe="1" />
-  <cell id="83" material="void" name="x = 2, y = 8, z = 0" region="7 -10 26 -29 3 -6" universe="1" />
-  <cell id="84" material="void" name="x = 3, y = 8, z = 0" region="10 -13 26 -29 3 -6" universe="1" />
-  <cell id="85" material="void" name="x = 4, y = 8, z = 0" region="13 -16 26 -29 3 -6" universe="1" />
-  <cell id="86" material="void" name="x = 5, y = 8, z = 0" region="16 -19 26 -29 3 -6" universe="1" />
-  <cell id="87" material="void" name="x = 6, y = 8, z = 0" region="19 -22 26 -29 3 -6" universe="1" />
-  <cell id="88" material="void" name="x = 7, y = 8, z = 0" region="22 -25 26 -29 3 -6" universe="1" />
-  <cell id="89" material="void" name="x = 8, y = 8, z = 0" region="25 -28 26 -29 3 -6" universe="1" />
-  <cell id="90" material="void" name="x = 9, y = 8, z = 0" region="28 -31 26 -29 3 -6" universe="1" />
-  <cell id="91" material="void" name="x = 0, y = 9, z = 0" region="1 -4 29 -32 3 -6" universe="1" />
-  <cell id="92" material="void" name="x = 1, y = 9, z = 0" region="4 -7 29 -32 3 -6" universe="1" />
-  <cell id="93" material="void" name="x = 2, y = 9, z = 0" region="7 -10 29 -32 3 -6" universe="1" />
-  <cell id="94" material="void" name="x = 3, y = 9, z = 0" region="10 -13 29 -32 3 -6" universe="1" />
-  <cell id="95" material="void" name="x = 4, y = 9, z = 0" region="13 -16 29 -32 3 -6" universe="1" />
-  <cell id="96" material="void" name="x = 5, y = 9, z = 0" region="16 -19 29 -32 3 -6" universe="1" />
-  <cell id="97" material="void" name="x = 6, y = 9, z = 0" region="19 -22 29 -32 3 -6" universe="1" />
-  <cell id="98" material="void" name="x = 7, y = 9, z = 0" region="22 -25 29 -32 3 -6" universe="1" />
-  <cell id="99" material="void" name="x = 8, y = 9, z = 0" region="25 -28 29 -32 3 -6" universe="1" />
-  <cell id="100" material="void" name="x = 9, y = 9, z = 0" region="28 -31 29 -32 3 -6" universe="1" />
-  <cell id="101" material="void" name="x = 0, y = 0, z = 1" region="1 -4 2 -5 6 -9" universe="1" />
-  <cell id="102" material="void" name="x = 1, y = 0, z = 1" region="4 -7 2 -5 6 -9" universe="1" />
-  <cell id="103" material="void" name="x = 2, y = 0, z = 1" region="7 -10 2 -5 6 -9" universe="1" />
-  <cell id="104" material="void" name="x = 3, y = 0, z = 1" region="10 -13 2 -5 6 -9" universe="1" />
-  <cell id="105" material="void" name="x = 4, y = 0, z = 1" region="13 -16 2 -5 6 -9" universe="1" />
-  <cell id="106" material="void" name="x = 5, y = 0, z = 1" region="16 -19 2 -5 6 -9" universe="1" />
-  <cell id="107" material="void" name="x = 6, y = 0, z = 1" region="19 -22 2 -5 6 -9" universe="1" />
-  <cell id="108" material="void" name="x = 7, y = 0, z = 1" region="22 -25 2 -5 6 -9" universe="1" />
-  <cell id="109" material="void" name="x = 8, y = 0, z = 1" region="25 -28 2 -5 6 -9" universe="1" />
-  <cell id="110" material="void" name="x = 9, y = 0, z = 1" region="28 -31 2 -5 6 -9" universe="1" />
-  <cell id="111" material="void" name="x = 0, y = 1, z = 1" region="1 -4 5 -8 6 -9" universe="1" />
-  <cell id="112" material="void" name="x = 1, y = 1, z = 1" region="4 -7 5 -8 6 -9" universe="1" />
-  <cell id="113" material="void" name="x = 2, y = 1, z = 1" region="7 -10 5 -8 6 -9" universe="1" />
-  <cell id="114" material="void" name="x = 3, y = 1, z = 1" region="10 -13 5 -8 6 -9" universe="1" />
-  <cell id="115" material="void" name="x = 4, y = 1, z = 1" region="13 -16 5 -8 6 -9" universe="1" />
-  <cell id="116" material="void" name="x = 5, y = 1, z = 1" region="16 -19 5 -8 6 -9" universe="1" />
-  <cell id="117" material="void" name="x = 6, y = 1, z = 1" region="19 -22 5 -8 6 -9" universe="1" />
-  <cell id="118" material="void" name="x = 7, y = 1, z = 1" region="22 -25 5 -8 6 -9" universe="1" />
-  <cell id="119" material="void" name="x = 8, y = 1, z = 1" region="25 -28 5 -8 6 -9" universe="1" />
-  <cell id="120" material="void" name="x = 9, y = 1, z = 1" region="28 -31 5 -8 6 -9" universe="1" />
-  <cell id="121" material="void" name="x = 0, y = 2, z = 1" region="1 -4 8 -11 6 -9" universe="1" />
-  <cell id="122" material="void" name="x = 1, y = 2, z = 1" region="4 -7 8 -11 6 -9" universe="1" />
-  <cell id="123" material="void" name="x = 2, y = 2, z = 1" region="7 -10 8 -11 6 -9" universe="1" />
-  <cell id="124" material="void" name="x = 3, y = 2, z = 1" region="10 -13 8 -11 6 -9" universe="1" />
-  <cell id="125" material="void" name="x = 4, y = 2, z = 1" region="13 -16 8 -11 6 -9" universe="1" />
-  <cell id="126" material="void" name="x = 5, y = 2, z = 1" region="16 -19 8 -11 6 -9" universe="1" />
-  <cell id="127" material="void" name="x = 6, y = 2, z = 1" region="19 -22 8 -11 6 -9" universe="1" />
-  <cell id="128" material="void" name="x = 7, y = 2, z = 1" region="22 -25 8 -11 6 -9" universe="1" />
-  <cell id="129" material="void" name="x = 8, y = 2, z = 1" region="25 -28 8 -11 6 -9" universe="1" />
-  <cell id="130" material="void" name="x = 9, y = 2, z = 1" region="28 -31 8 -11 6 -9" universe="1" />
-  <cell id="131" material="void" name="x = 0, y = 3, z = 1" region="1 -4 11 -14 6 -9" universe="1" />
-  <cell id="132" material="void" name="x = 1, y = 3, z = 1" region="4 -7 11 -14 6 -9" universe="1" />
-  <cell id="133" material="void" name="x = 2, y = 3, z = 1" region="7 -10 11 -14 6 -9" universe="1" />
-  <cell id="134" material="void" name="x = 3, y = 3, z = 1" region="10 -13 11 -14 6 -9" universe="1" />
-  <cell id="135" material="void" name="x = 4, y = 3, z = 1" region="13 -16 11 -14 6 -9" universe="1" />
-  <cell id="136" material="void" name="x = 5, y = 3, z = 1" region="16 -19 11 -14 6 -9" universe="1" />
-  <cell id="137" material="void" name="x = 6, y = 3, z = 1" region="19 -22 11 -14 6 -9" universe="1" />
-  <cell id="138" material="void" name="x = 7, y = 3, z = 1" region="22 -25 11 -14 6 -9" universe="1" />
-  <cell id="139" material="void" name="x = 8, y = 3, z = 1" region="25 -28 11 -14 6 -9" universe="1" />
-  <cell id="140" material="void" name="x = 9, y = 3, z = 1" region="28 -31 11 -14 6 -9" universe="1" />
-  <cell id="141" material="void" name="x = 0, y = 4, z = 1" region="1 -4 14 -17 6 -9" universe="1" />
-  <cell id="142" material="void" name="x = 1, y = 4, z = 1" region="4 -7 14 -17 6 -9" universe="1" />
-  <cell id="143" material="void" name="x = 2, y = 4, z = 1" region="7 -10 14 -17 6 -9" universe="1" />
-  <cell id="144" material="void" name="x = 3, y = 4, z = 1" region="10 -13 14 -17 6 -9" universe="1" />
-  <cell id="145" material="void" name="x = 4, y = 4, z = 1" region="13 -16 14 -17 6 -9" universe="1" />
-  <cell id="146" material="void" name="x = 5, y = 4, z = 1" region="16 -19 14 -17 6 -9" universe="1" />
-  <cell id="147" material="void" name="x = 6, y = 4, z = 1" region="19 -22 14 -17 6 -9" universe="1" />
-  <cell id="148" material="void" name="x = 7, y = 4, z = 1" region="22 -25 14 -17 6 -9" universe="1" />
-  <cell id="149" material="void" name="x = 8, y = 4, z = 1" region="25 -28 14 -17 6 -9" universe="1" />
-  <cell id="150" material="void" name="x = 9, y = 4, z = 1" region="28 -31 14 -17 6 -9" universe="1" />
-  <cell id="151" material="void" name="x = 0, y = 5, z = 1" region="1 -4 17 -20 6 -9" universe="1" />
-  <cell id="152" material="void" name="x = 1, y = 5, z = 1" region="4 -7 17 -20 6 -9" universe="1" />
-  <cell id="153" material="void" name="x = 2, y = 5, z = 1" region="7 -10 17 -20 6 -9" universe="1" />
-  <cell id="154" material="void" name="x = 3, y = 5, z = 1" region="10 -13 17 -20 6 -9" universe="1" />
-  <cell id="155" material="void" name="x = 4, y = 5, z = 1" region="13 -16 17 -20 6 -9" universe="1" />
-  <cell id="156" material="void" name="x = 5, y = 5, z = 1" region="16 -19 17 -20 6 -9" universe="1" />
-  <cell id="157" material="void" name="x = 6, y = 5, z = 1" region="19 -22 17 -20 6 -9" universe="1" />
-  <cell id="158" material="void" name="x = 7, y = 5, z = 1" region="22 -25 17 -20 6 -9" universe="1" />
-  <cell id="159" material="void" name="x = 8, y = 5, z = 1" region="25 -28 17 -20 6 -9" universe="1" />
-  <cell id="160" material="void" name="x = 9, y = 5, z = 1" region="28 -31 17 -20 6 -9" universe="1" />
-  <cell id="161" material="void" name="x = 0, y = 6, z = 1" region="1 -4 20 -23 6 -9" universe="1" />
-  <cell id="162" material="void" name="x = 1, y = 6, z = 1" region="4 -7 20 -23 6 -9" universe="1" />
-  <cell id="163" material="void" name="x = 2, y = 6, z = 1" region="7 -10 20 -23 6 -9" universe="1" />
-  <cell id="164" material="void" name="x = 3, y = 6, z = 1" region="10 -13 20 -23 6 -9" universe="1" />
-  <cell id="165" material="void" name="x = 4, y = 6, z = 1" region="13 -16 20 -23 6 -9" universe="1" />
-  <cell id="166" material="void" name="x = 5, y = 6, z = 1" region="16 -19 20 -23 6 -9" universe="1" />
-  <cell id="167" material="void" name="x = 6, y = 6, z = 1" region="19 -22 20 -23 6 -9" universe="1" />
-  <cell id="168" material="void" name="x = 7, y = 6, z = 1" region="22 -25 20 -23 6 -9" universe="1" />
-  <cell id="169" material="void" name="x = 8, y = 6, z = 1" region="25 -28 20 -23 6 -9" universe="1" />
-  <cell id="170" material="void" name="x = 9, y = 6, z = 1" region="28 -31 20 -23 6 -9" universe="1" />
-  <cell id="171" material="void" name="x = 0, y = 7, z = 1" region="1 -4 23 -26 6 -9" universe="1" />
-  <cell id="172" material="void" name="x = 1, y = 7, z = 1" region="4 -7 23 -26 6 -9" universe="1" />
-  <cell id="173" material="void" name="x = 2, y = 7, z = 1" region="7 -10 23 -26 6 -9" universe="1" />
-  <cell id="174" material="void" name="x = 3, y = 7, z = 1" region="10 -13 23 -26 6 -9" universe="1" />
-  <cell id="175" material="void" name="x = 4, y = 7, z = 1" region="13 -16 23 -26 6 -9" universe="1" />
-  <cell id="176" material="void" name="x = 5, y = 7, z = 1" region="16 -19 23 -26 6 -9" universe="1" />
-  <cell id="177" material="void" name="x = 6, y = 7, z = 1" region="19 -22 23 -26 6 -9" universe="1" />
-  <cell id="178" material="void" name="x = 7, y = 7, z = 1" region="22 -25 23 -26 6 -9" universe="1" />
-  <cell id="179" material="void" name="x = 8, y = 7, z = 1" region="25 -28 23 -26 6 -9" universe="1" />
-  <cell id="180" material="void" name="x = 9, y = 7, z = 1" region="28 -31 23 -26 6 -9" universe="1" />
-  <cell id="181" material="void" name="x = 0, y = 8, z = 1" region="1 -4 26 -29 6 -9" universe="1" />
-  <cell id="182" material="void" name="x = 1, y = 8, z = 1" region="4 -7 26 -29 6 -9" universe="1" />
-  <cell id="183" material="void" name="x = 2, y = 8, z = 1" region="7 -10 26 -29 6 -9" universe="1" />
-  <cell id="184" material="void" name="x = 3, y = 8, z = 1" region="10 -13 26 -29 6 -9" universe="1" />
-  <cell id="185" material="void" name="x = 4, y = 8, z = 1" region="13 -16 26 -29 6 -9" universe="1" />
-  <cell id="186" material="void" name="x = 5, y = 8, z = 1" region="16 -19 26 -29 6 -9" universe="1" />
-  <cell id="187" material="void" name="x = 6, y = 8, z = 1" region="19 -22 26 -29 6 -9" universe="1" />
-  <cell id="188" material="void" name="x = 7, y = 8, z = 1" region="22 -25 26 -29 6 -9" universe="1" />
-  <cell id="189" material="void" name="x = 8, y = 8, z = 1" region="25 -28 26 -29 6 -9" universe="1" />
-  <cell id="190" material="void" name="x = 9, y = 8, z = 1" region="28 -31 26 -29 6 -9" universe="1" />
-  <cell id="191" material="void" name="x = 0, y = 9, z = 1" region="1 -4 29 -32 6 -9" universe="1" />
-  <cell id="192" material="void" name="x = 1, y = 9, z = 1" region="4 -7 29 -32 6 -9" universe="1" />
-  <cell id="193" material="void" name="x = 2, y = 9, z = 1" region="7 -10 29 -32 6 -9" universe="1" />
-  <cell id="194" material="void" name="x = 3, y = 9, z = 1" region="10 -13 29 -32 6 -9" universe="1" />
-  <cell id="195" material="void" name="x = 4, y = 9, z = 1" region="13 -16 29 -32 6 -9" universe="1" />
-  <cell id="196" material="void" name="x = 5, y = 9, z = 1" region="16 -19 29 -32 6 -9" universe="1" />
-  <cell id="197" material="void" name="x = 6, y = 9, z = 1" region="19 -22 29 -32 6 -9" universe="1" />
-  <cell id="198" material="void" name="x = 7, y = 9, z = 1" region="22 -25 29 -32 6 -9" universe="1" />
-  <cell id="199" material="void" name="x = 8, y = 9, z = 1" region="25 -28 29 -32 6 -9" universe="1" />
-  <cell id="200" material="void" name="x = 9, y = 9, z = 1" region="28 -31 29 -32 6 -9" universe="1" />
-  <cell id="201" material="void" name="x = 0, y = 0, z = 2" region="1 -4 2 -5 9 -12" universe="1" />
-  <cell id="202" material="void" name="x = 1, y = 0, z = 2" region="4 -7 2 -5 9 -12" universe="1" />
-  <cell id="203" material="void" name="x = 2, y = 0, z = 2" region="7 -10 2 -5 9 -12" universe="1" />
-  <cell id="204" material="void" name="x = 3, y = 0, z = 2" region="10 -13 2 -5 9 -12" universe="1" />
-  <cell id="205" material="void" name="x = 4, y = 0, z = 2" region="13 -16 2 -5 9 -12" universe="1" />
-  <cell id="206" material="void" name="x = 5, y = 0, z = 2" region="16 -19 2 -5 9 -12" universe="1" />
-  <cell id="207" material="void" name="x = 6, y = 0, z = 2" region="19 -22 2 -5 9 -12" universe="1" />
-  <cell id="208" material="void" name="x = 7, y = 0, z = 2" region="22 -25 2 -5 9 -12" universe="1" />
-  <cell id="209" material="void" name="x = 8, y = 0, z = 2" region="25 -28 2 -5 9 -12" universe="1" />
-  <cell id="210" material="void" name="x = 9, y = 0, z = 2" region="28 -31 2 -5 9 -12" universe="1" />
-  <cell id="211" material="void" name="x = 0, y = 1, z = 2" region="1 -4 5 -8 9 -12" universe="1" />
-  <cell id="212" material="void" name="x = 1, y = 1, z = 2" region="4 -7 5 -8 9 -12" universe="1" />
-  <cell id="213" material="void" name="x = 2, y = 1, z = 2" region="7 -10 5 -8 9 -12" universe="1" />
-  <cell id="214" material="void" name="x = 3, y = 1, z = 2" region="10 -13 5 -8 9 -12" universe="1" />
-  <cell id="215" material="void" name="x = 4, y = 1, z = 2" region="13 -16 5 -8 9 -12" universe="1" />
-  <cell id="216" material="void" name="x = 5, y = 1, z = 2" region="16 -19 5 -8 9 -12" universe="1" />
-  <cell id="217" material="void" name="x = 6, y = 1, z = 2" region="19 -22 5 -8 9 -12" universe="1" />
-  <cell id="218" material="void" name="x = 7, y = 1, z = 2" region="22 -25 5 -8 9 -12" universe="1" />
-  <cell id="219" material="void" name="x = 8, y = 1, z = 2" region="25 -28 5 -8 9 -12" universe="1" />
-  <cell id="220" material="void" name="x = 9, y = 1, z = 2" region="28 -31 5 -8 9 -12" universe="1" />
-  <cell id="221" material="void" name="x = 0, y = 2, z = 2" region="1 -4 8 -11 9 -12" universe="1" />
-  <cell id="222" material="void" name="x = 1, y = 2, z = 2" region="4 -7 8 -11 9 -12" universe="1" />
-  <cell id="223" material="void" name="x = 2, y = 2, z = 2" region="7 -10 8 -11 9 -12" universe="1" />
-  <cell id="224" material="void" name="x = 3, y = 2, z = 2" region="10 -13 8 -11 9 -12" universe="1" />
-  <cell id="225" material="void" name="x = 4, y = 2, z = 2" region="13 -16 8 -11 9 -12" universe="1" />
-  <cell id="226" material="void" name="x = 5, y = 2, z = 2" region="16 -19 8 -11 9 -12" universe="1" />
-  <cell id="227" material="void" name="x = 6, y = 2, z = 2" region="19 -22 8 -11 9 -12" universe="1" />
-  <cell id="228" material="void" name="x = 7, y = 2, z = 2" region="22 -25 8 -11 9 -12" universe="1" />
-  <cell id="229" material="void" name="x = 8, y = 2, z = 2" region="25 -28 8 -11 9 -12" universe="1" />
-  <cell id="230" material="void" name="x = 9, y = 2, z = 2" region="28 -31 8 -11 9 -12" universe="1" />
-  <cell id="231" material="void" name="x = 0, y = 3, z = 2" region="1 -4 11 -14 9 -12" universe="1" />
-  <cell id="232" material="void" name="x = 1, y = 3, z = 2" region="4 -7 11 -14 9 -12" universe="1" />
-  <cell id="233" material="void" name="x = 2, y = 3, z = 2" region="7 -10 11 -14 9 -12" universe="1" />
-  <cell id="234" material="void" name="x = 3, y = 3, z = 2" region="10 -13 11 -14 9 -12" universe="1" />
-  <cell id="235" material="void" name="x = 4, y = 3, z = 2" region="13 -16 11 -14 9 -12" universe="1" />
-  <cell id="236" material="void" name="x = 5, y = 3, z = 2" region="16 -19 11 -14 9 -12" universe="1" />
-  <cell id="237" material="void" name="x = 6, y = 3, z = 2" region="19 -22 11 -14 9 -12" universe="1" />
-  <cell id="238" material="void" name="x = 7, y = 3, z = 2" region="22 -25 11 -14 9 -12" universe="1" />
-  <cell id="239" material="void" name="x = 8, y = 3, z = 2" region="25 -28 11 -14 9 -12" universe="1" />
-  <cell id="240" material="void" name="x = 9, y = 3, z = 2" region="28 -31 11 -14 9 -12" universe="1" />
-  <cell id="241" material="void" name="x = 0, y = 4, z = 2" region="1 -4 14 -17 9 -12" universe="1" />
-  <cell id="242" material="void" name="x = 1, y = 4, z = 2" region="4 -7 14 -17 9 -12" universe="1" />
-  <cell id="243" material="void" name="x = 2, y = 4, z = 2" region="7 -10 14 -17 9 -12" universe="1" />
-  <cell id="244" material="void" name="x = 3, y = 4, z = 2" region="10 -13 14 -17 9 -12" universe="1" />
-  <cell id="245" material="void" name="x = 4, y = 4, z = 2" region="13 -16 14 -17 9 -12" universe="1" />
-  <cell id="246" material="void" name="x = 5, y = 4, z = 2" region="16 -19 14 -17 9 -12" universe="1" />
-  <cell id="247" material="void" name="x = 6, y = 4, z = 2" region="19 -22 14 -17 9 -12" universe="1" />
-  <cell id="248" material="void" name="x = 7, y = 4, z = 2" region="22 -25 14 -17 9 -12" universe="1" />
-  <cell id="249" material="void" name="x = 8, y = 4, z = 2" region="25 -28 14 -17 9 -12" universe="1" />
-  <cell id="250" material="void" name="x = 9, y = 4, z = 2" region="28 -31 14 -17 9 -12" universe="1" />
-  <cell id="251" material="void" name="x = 0, y = 5, z = 2" region="1 -4 17 -20 9 -12" universe="1" />
-  <cell id="252" material="void" name="x = 1, y = 5, z = 2" region="4 -7 17 -20 9 -12" universe="1" />
-  <cell id="253" material="void" name="x = 2, y = 5, z = 2" region="7 -10 17 -20 9 -12" universe="1" />
-  <cell id="254" material="void" name="x = 3, y = 5, z = 2" region="10 -13 17 -20 9 -12" universe="1" />
-  <cell id="255" material="void" name="x = 4, y = 5, z = 2" region="13 -16 17 -20 9 -12" universe="1" />
-  <cell id="256" material="void" name="x = 5, y = 5, z = 2" region="16 -19 17 -20 9 -12" universe="1" />
-  <cell id="257" material="void" name="x = 6, y = 5, z = 2" region="19 -22 17 -20 9 -12" universe="1" />
-  <cell id="258" material="void" name="x = 7, y = 5, z = 2" region="22 -25 17 -20 9 -12" universe="1" />
-  <cell id="259" material="void" name="x = 8, y = 5, z = 2" region="25 -28 17 -20 9 -12" universe="1" />
-  <cell id="260" material="void" name="x = 9, y = 5, z = 2" region="28 -31 17 -20 9 -12" universe="1" />
-  <cell id="261" material="void" name="x = 0, y = 6, z = 2" region="1 -4 20 -23 9 -12" universe="1" />
-  <cell id="262" material="void" name="x = 1, y = 6, z = 2" region="4 -7 20 -23 9 -12" universe="1" />
-  <cell id="263" material="void" name="x = 2, y = 6, z = 2" region="7 -10 20 -23 9 -12" universe="1" />
-  <cell id="264" material="void" name="x = 3, y = 6, z = 2" region="10 -13 20 -23 9 -12" universe="1" />
-  <cell id="265" material="void" name="x = 4, y = 6, z = 2" region="13 -16 20 -23 9 -12" universe="1" />
-  <cell id="266" material="void" name="x = 5, y = 6, z = 2" region="16 -19 20 -23 9 -12" universe="1" />
-  <cell id="267" material="void" name="x = 6, y = 6, z = 2" region="19 -22 20 -23 9 -12" universe="1" />
-  <cell id="268" material="void" name="x = 7, y = 6, z = 2" region="22 -25 20 -23 9 -12" universe="1" />
-  <cell id="269" material="void" name="x = 8, y = 6, z = 2" region="25 -28 20 -23 9 -12" universe="1" />
-  <cell id="270" material="void" name="x = 9, y = 6, z = 2" region="28 -31 20 -23 9 -12" universe="1" />
-  <cell id="271" material="void" name="x = 0, y = 7, z = 2" region="1 -4 23 -26 9 -12" universe="1" />
-  <cell id="272" material="void" name="x = 1, y = 7, z = 2" region="4 -7 23 -26 9 -12" universe="1" />
-  <cell id="273" material="void" name="x = 2, y = 7, z = 2" region="7 -10 23 -26 9 -12" universe="1" />
-  <cell id="274" material="void" name="x = 3, y = 7, z = 2" region="10 -13 23 -26 9 -12" universe="1" />
-  <cell id="275" material="void" name="x = 4, y = 7, z = 2" region="13 -16 23 -26 9 -12" universe="1" />
-  <cell id="276" material="void" name="x = 5, y = 7, z = 2" region="16 -19 23 -26 9 -12" universe="1" />
-  <cell id="277" material="void" name="x = 6, y = 7, z = 2" region="19 -22 23 -26 9 -12" universe="1" />
-  <cell id="278" material="void" name="x = 7, y = 7, z = 2" region="22 -25 23 -26 9 -12" universe="1" />
-  <cell id="279" material="void" name="x = 8, y = 7, z = 2" region="25 -28 23 -26 9 -12" universe="1" />
-  <cell id="280" material="void" name="x = 9, y = 7, z = 2" region="28 -31 23 -26 9 -12" universe="1" />
-  <cell id="281" material="void" name="x = 0, y = 8, z = 2" region="1 -4 26 -29 9 -12" universe="1" />
-  <cell id="282" material="void" name="x = 1, y = 8, z = 2" region="4 -7 26 -29 9 -12" universe="1" />
-  <cell id="283" material="void" name="x = 2, y = 8, z = 2" region="7 -10 26 -29 9 -12" universe="1" />
-  <cell id="284" material="void" name="x = 3, y = 8, z = 2" region="10 -13 26 -29 9 -12" universe="1" />
-  <cell id="285" material="void" name="x = 4, y = 8, z = 2" region="13 -16 26 -29 9 -12" universe="1" />
-  <cell id="286" material="void" name="x = 5, y = 8, z = 2" region="16 -19 26 -29 9 -12" universe="1" />
-  <cell id="287" material="void" name="x = 6, y = 8, z = 2" region="19 -22 26 -29 9 -12" universe="1" />
-  <cell id="288" material="void" name="x = 7, y = 8, z = 2" region="22 -25 26 -29 9 -12" universe="1" />
-  <cell id="289" material="void" name="x = 8, y = 8, z = 2" region="25 -28 26 -29 9 -12" universe="1" />
-  <cell id="290" material="void" name="x = 9, y = 8, z = 2" region="28 -31 26 -29 9 -12" universe="1" />
-  <cell id="291" material="void" name="x = 0, y = 9, z = 2" region="1 -4 29 -32 9 -12" universe="1" />
-  <cell id="292" material="void" name="x = 1, y = 9, z = 2" region="4 -7 29 -32 9 -12" universe="1" />
-  <cell id="293" material="void" name="x = 2, y = 9, z = 2" region="7 -10 29 -32 9 -12" universe="1" />
-  <cell id="294" material="void" name="x = 3, y = 9, z = 2" region="10 -13 29 -32 9 -12" universe="1" />
-  <cell id="295" material="void" name="x = 4, y = 9, z = 2" region="13 -16 29 -32 9 -12" universe="1" />
-  <cell id="296" material="void" name="x = 5, y = 9, z = 2" region="16 -19 29 -32 9 -12" universe="1" />
-  <cell id="297" material="void" name="x = 6, y = 9, z = 2" region="19 -22 29 -32 9 -12" universe="1" />
-  <cell id="298" material="void" name="x = 7, y = 9, z = 2" region="22 -25 29 -32 9 -12" universe="1" />
-  <cell id="299" material="void" name="x = 8, y = 9, z = 2" region="25 -28 29 -32 9 -12" universe="1" />
-  <cell id="300" material="void" name="x = 9, y = 9, z = 2" region="28 -31 29 -32 9 -12" universe="1" />
-  <cell id="301" material="void" name="x = 0, y = 0, z = 3" region="1 -4 2 -5 12 -15" universe="1" />
-  <cell id="302" material="void" name="x = 1, y = 0, z = 3" region="4 -7 2 -5 12 -15" universe="1" />
-  <cell id="303" material="void" name="x = 2, y = 0, z = 3" region="7 -10 2 -5 12 -15" universe="1" />
-  <cell id="304" material="void" name="x = 3, y = 0, z = 3" region="10 -13 2 -5 12 -15" universe="1" />
-  <cell id="305" material="void" name="x = 4, y = 0, z = 3" region="13 -16 2 -5 12 -15" universe="1" />
-  <cell id="306" material="void" name="x = 5, y = 0, z = 3" region="16 -19 2 -5 12 -15" universe="1" />
-  <cell id="307" material="void" name="x = 6, y = 0, z = 3" region="19 -22 2 -5 12 -15" universe="1" />
-  <cell id="308" material="void" name="x = 7, y = 0, z = 3" region="22 -25 2 -5 12 -15" universe="1" />
-  <cell id="309" material="void" name="x = 8, y = 0, z = 3" region="25 -28 2 -5 12 -15" universe="1" />
-  <cell id="310" material="void" name="x = 9, y = 0, z = 3" region="28 -31 2 -5 12 -15" universe="1" />
-  <cell id="311" material="void" name="x = 0, y = 1, z = 3" region="1 -4 5 -8 12 -15" universe="1" />
-  <cell id="312" material="void" name="x = 1, y = 1, z = 3" region="4 -7 5 -8 12 -15" universe="1" />
-  <cell id="313" material="void" name="x = 2, y = 1, z = 3" region="7 -10 5 -8 12 -15" universe="1" />
-  <cell id="314" material="void" name="x = 3, y = 1, z = 3" region="10 -13 5 -8 12 -15" universe="1" />
-  <cell id="315" material="void" name="x = 4, y = 1, z = 3" region="13 -16 5 -8 12 -15" universe="1" />
-  <cell id="316" material="void" name="x = 5, y = 1, z = 3" region="16 -19 5 -8 12 -15" universe="1" />
-  <cell id="317" material="void" name="x = 6, y = 1, z = 3" region="19 -22 5 -8 12 -15" universe="1" />
-  <cell id="318" material="void" name="x = 7, y = 1, z = 3" region="22 -25 5 -8 12 -15" universe="1" />
-  <cell id="319" material="void" name="x = 8, y = 1, z = 3" region="25 -28 5 -8 12 -15" universe="1" />
-  <cell id="320" material="void" name="x = 9, y = 1, z = 3" region="28 -31 5 -8 12 -15" universe="1" />
-  <cell id="321" material="void" name="x = 0, y = 2, z = 3" region="1 -4 8 -11 12 -15" universe="1" />
-  <cell id="322" material="void" name="x = 1, y = 2, z = 3" region="4 -7 8 -11 12 -15" universe="1" />
-  <cell id="323" material="void" name="x = 2, y = 2, z = 3" region="7 -10 8 -11 12 -15" universe="1" />
-  <cell id="324" material="void" name="x = 3, y = 2, z = 3" region="10 -13 8 -11 12 -15" universe="1" />
-  <cell id="325" material="void" name="x = 4, y = 2, z = 3" region="13 -16 8 -11 12 -15" universe="1" />
-  <cell id="326" material="void" name="x = 5, y = 2, z = 3" region="16 -19 8 -11 12 -15" universe="1" />
-  <cell id="327" material="void" name="x = 6, y = 2, z = 3" region="19 -22 8 -11 12 -15" universe="1" />
-  <cell id="328" material="void" name="x = 7, y = 2, z = 3" region="22 -25 8 -11 12 -15" universe="1" />
-  <cell id="329" material="void" name="x = 8, y = 2, z = 3" region="25 -28 8 -11 12 -15" universe="1" />
-  <cell id="330" material="void" name="x = 9, y = 2, z = 3" region="28 -31 8 -11 12 -15" universe="1" />
-  <cell id="331" material="void" name="x = 0, y = 3, z = 3" region="1 -4 11 -14 12 -15" universe="1" />
-  <cell id="332" material="void" name="x = 1, y = 3, z = 3" region="4 -7 11 -14 12 -15" universe="1" />
-  <cell id="333" material="void" name="x = 2, y = 3, z = 3" region="7 -10 11 -14 12 -15" universe="1" />
-  <cell id="334" material="void" name="x = 3, y = 3, z = 3" region="10 -13 11 -14 12 -15" universe="1" />
-  <cell id="335" material="void" name="x = 4, y = 3, z = 3" region="13 -16 11 -14 12 -15" universe="1" />
-  <cell id="336" material="void" name="x = 5, y = 3, z = 3" region="16 -19 11 -14 12 -15" universe="1" />
-  <cell id="337" material="void" name="x = 6, y = 3, z = 3" region="19 -22 11 -14 12 -15" universe="1" />
-  <cell id="338" material="void" name="x = 7, y = 3, z = 3" region="22 -25 11 -14 12 -15" universe="1" />
-  <cell id="339" material="void" name="x = 8, y = 3, z = 3" region="25 -28 11 -14 12 -15" universe="1" />
-  <cell id="340" material="void" name="x = 9, y = 3, z = 3" region="28 -31 11 -14 12 -15" universe="1" />
-  <cell id="341" material="void" name="x = 0, y = 4, z = 3" region="1 -4 14 -17 12 -15" universe="1" />
-  <cell id="342" material="void" name="x = 1, y = 4, z = 3" region="4 -7 14 -17 12 -15" universe="1" />
-  <cell id="343" material="void" name="x = 2, y = 4, z = 3" region="7 -10 14 -17 12 -15" universe="1" />
-  <cell id="344" material="void" name="x = 3, y = 4, z = 3" region="10 -13 14 -17 12 -15" universe="1" />
-  <cell id="345" material="void" name="x = 4, y = 4, z = 3" region="13 -16 14 -17 12 -15" universe="1" />
-  <cell id="346" material="void" name="x = 5, y = 4, z = 3" region="16 -19 14 -17 12 -15" universe="1" />
-  <cell id="347" material="void" name="x = 6, y = 4, z = 3" region="19 -22 14 -17 12 -15" universe="1" />
-  <cell id="348" material="void" name="x = 7, y = 4, z = 3" region="22 -25 14 -17 12 -15" universe="1" />
-  <cell id="349" material="void" name="x = 8, y = 4, z = 3" region="25 -28 14 -17 12 -15" universe="1" />
-  <cell id="350" material="void" name="x = 9, y = 4, z = 3" region="28 -31 14 -17 12 -15" universe="1" />
-  <cell id="351" material="void" name="x = 0, y = 5, z = 3" region="1 -4 17 -20 12 -15" universe="1" />
-  <cell id="352" material="void" name="x = 1, y = 5, z = 3" region="4 -7 17 -20 12 -15" universe="1" />
-  <cell id="353" material="void" name="x = 2, y = 5, z = 3" region="7 -10 17 -20 12 -15" universe="1" />
-  <cell id="354" material="void" name="x = 3, y = 5, z = 3" region="10 -13 17 -20 12 -15" universe="1" />
-  <cell id="355" material="void" name="x = 4, y = 5, z = 3" region="13 -16 17 -20 12 -15" universe="1" />
-  <cell id="356" material="void" name="x = 5, y = 5, z = 3" region="16 -19 17 -20 12 -15" universe="1" />
-  <cell id="357" material="void" name="x = 6, y = 5, z = 3" region="19 -22 17 -20 12 -15" universe="1" />
-  <cell id="358" material="void" name="x = 7, y = 5, z = 3" region="22 -25 17 -20 12 -15" universe="1" />
-  <cell id="359" material="void" name="x = 8, y = 5, z = 3" region="25 -28 17 -20 12 -15" universe="1" />
-  <cell id="360" material="void" name="x = 9, y = 5, z = 3" region="28 -31 17 -20 12 -15" universe="1" />
-  <cell id="361" material="void" name="x = 0, y = 6, z = 3" region="1 -4 20 -23 12 -15" universe="1" />
-  <cell id="362" material="void" name="x = 1, y = 6, z = 3" region="4 -7 20 -23 12 -15" universe="1" />
-  <cell id="363" material="void" name="x = 2, y = 6, z = 3" region="7 -10 20 -23 12 -15" universe="1" />
-  <cell id="364" material="void" name="x = 3, y = 6, z = 3" region="10 -13 20 -23 12 -15" universe="1" />
-  <cell id="365" material="void" name="x = 4, y = 6, z = 3" region="13 -16 20 -23 12 -15" universe="1" />
-  <cell id="366" material="void" name="x = 5, y = 6, z = 3" region="16 -19 20 -23 12 -15" universe="1" />
-  <cell id="367" material="void" name="x = 6, y = 6, z = 3" region="19 -22 20 -23 12 -15" universe="1" />
-  <cell id="368" material="void" name="x = 7, y = 6, z = 3" region="22 -25 20 -23 12 -15" universe="1" />
-  <cell id="369" material="void" name="x = 8, y = 6, z = 3" region="25 -28 20 -23 12 -15" universe="1" />
-  <cell id="370" material="void" name="x = 9, y = 6, z = 3" region="28 -31 20 -23 12 -15" universe="1" />
-  <cell id="371" material="void" name="x = 0, y = 7, z = 3" region="1 -4 23 -26 12 -15" universe="1" />
-  <cell id="372" material="void" name="x = 1, y = 7, z = 3" region="4 -7 23 -26 12 -15" universe="1" />
-  <cell id="373" material="void" name="x = 2, y = 7, z = 3" region="7 -10 23 -26 12 -15" universe="1" />
-  <cell id="374" material="void" name="x = 3, y = 7, z = 3" region="10 -13 23 -26 12 -15" universe="1" />
-  <cell id="375" material="void" name="x = 4, y = 7, z = 3" region="13 -16 23 -26 12 -15" universe="1" />
-  <cell id="376" material="void" name="x = 5, y = 7, z = 3" region="16 -19 23 -26 12 -15" universe="1" />
-  <cell id="377" material="void" name="x = 6, y = 7, z = 3" region="19 -22 23 -26 12 -15" universe="1" />
-  <cell id="378" material="void" name="x = 7, y = 7, z = 3" region="22 -25 23 -26 12 -15" universe="1" />
-  <cell id="379" material="void" name="x = 8, y = 7, z = 3" region="25 -28 23 -26 12 -15" universe="1" />
-  <cell id="380" material="void" name="x = 9, y = 7, z = 3" region="28 -31 23 -26 12 -15" universe="1" />
-  <cell id="381" material="void" name="x = 0, y = 8, z = 3" region="1 -4 26 -29 12 -15" universe="1" />
-  <cell id="382" material="void" name="x = 1, y = 8, z = 3" region="4 -7 26 -29 12 -15" universe="1" />
-  <cell id="383" material="void" name="x = 2, y = 8, z = 3" region="7 -10 26 -29 12 -15" universe="1" />
-  <cell id="384" material="void" name="x = 3, y = 8, z = 3" region="10 -13 26 -29 12 -15" universe="1" />
-  <cell id="385" material="void" name="x = 4, y = 8, z = 3" region="13 -16 26 -29 12 -15" universe="1" />
-  <cell id="386" material="void" name="x = 5, y = 8, z = 3" region="16 -19 26 -29 12 -15" universe="1" />
-  <cell id="387" material="void" name="x = 6, y = 8, z = 3" region="19 -22 26 -29 12 -15" universe="1" />
-  <cell id="388" material="void" name="x = 7, y = 8, z = 3" region="22 -25 26 -29 12 -15" universe="1" />
-  <cell id="389" material="void" name="x = 8, y = 8, z = 3" region="25 -28 26 -29 12 -15" universe="1" />
-  <cell id="390" material="void" name="x = 9, y = 8, z = 3" region="28 -31 26 -29 12 -15" universe="1" />
-  <cell id="391" material="void" name="x = 0, y = 9, z = 3" region="1 -4 29 -32 12 -15" universe="1" />
-  <cell id="392" material="void" name="x = 1, y = 9, z = 3" region="4 -7 29 -32 12 -15" universe="1" />
-  <cell id="393" material="void" name="x = 2, y = 9, z = 3" region="7 -10 29 -32 12 -15" universe="1" />
-  <cell id="394" material="void" name="x = 3, y = 9, z = 3" region="10 -13 29 -32 12 -15" universe="1" />
-  <cell id="395" material="void" name="x = 4, y = 9, z = 3" region="13 -16 29 -32 12 -15" universe="1" />
-  <cell id="396" material="void" name="x = 5, y = 9, z = 3" region="16 -19 29 -32 12 -15" universe="1" />
-  <cell id="397" material="void" name="x = 6, y = 9, z = 3" region="19 -22 29 -32 12 -15" universe="1" />
-  <cell id="398" material="void" name="x = 7, y = 9, z = 3" region="22 -25 29 -32 12 -15" universe="1" />
-  <cell id="399" material="void" name="x = 8, y = 9, z = 3" region="25 -28 29 -32 12 -15" universe="1" />
-  <cell id="400" material="void" name="x = 9, y = 9, z = 3" region="28 -31 29 -32 12 -15" universe="1" />
-  <cell id="401" material="void" name="x = 0, y = 0, z = 4" region="1 -4 2 -5 15 -18" universe="1" />
-  <cell id="402" material="void" name="x = 1, y = 0, z = 4" region="4 -7 2 -5 15 -18" universe="1" />
-  <cell id="403" material="void" name="x = 2, y = 0, z = 4" region="7 -10 2 -5 15 -18" universe="1" />
-  <cell id="404" material="void" name="x = 3, y = 0, z = 4" region="10 -13 2 -5 15 -18" universe="1" />
-  <cell id="405" material="void" name="x = 4, y = 0, z = 4" region="13 -16 2 -5 15 -18" universe="1" />
-  <cell id="406" material="void" name="x = 5, y = 0, z = 4" region="16 -19 2 -5 15 -18" universe="1" />
-  <cell id="407" material="void" name="x = 6, y = 0, z = 4" region="19 -22 2 -5 15 -18" universe="1" />
-  <cell id="408" material="void" name="x = 7, y = 0, z = 4" region="22 -25 2 -5 15 -18" universe="1" />
-  <cell id="409" material="void" name="x = 8, y = 0, z = 4" region="25 -28 2 -5 15 -18" universe="1" />
-  <cell id="410" material="void" name="x = 9, y = 0, z = 4" region="28 -31 2 -5 15 -18" universe="1" />
-  <cell id="411" material="void" name="x = 0, y = 1, z = 4" region="1 -4 5 -8 15 -18" universe="1" />
-  <cell id="412" material="void" name="x = 1, y = 1, z = 4" region="4 -7 5 -8 15 -18" universe="1" />
-  <cell id="413" material="void" name="x = 2, y = 1, z = 4" region="7 -10 5 -8 15 -18" universe="1" />
-  <cell id="414" material="void" name="x = 3, y = 1, z = 4" region="10 -13 5 -8 15 -18" universe="1" />
-  <cell id="415" material="void" name="x = 4, y = 1, z = 4" region="13 -16 5 -8 15 -18" universe="1" />
-  <cell id="416" material="void" name="x = 5, y = 1, z = 4" region="16 -19 5 -8 15 -18" universe="1" />
-  <cell id="417" material="void" name="x = 6, y = 1, z = 4" region="19 -22 5 -8 15 -18" universe="1" />
-  <cell id="418" material="void" name="x = 7, y = 1, z = 4" region="22 -25 5 -8 15 -18" universe="1" />
-  <cell id="419" material="void" name="x = 8, y = 1, z = 4" region="25 -28 5 -8 15 -18" universe="1" />
-  <cell id="420" material="void" name="x = 9, y = 1, z = 4" region="28 -31 5 -8 15 -18" universe="1" />
-  <cell id="421" material="void" name="x = 0, y = 2, z = 4" region="1 -4 8 -11 15 -18" universe="1" />
-  <cell id="422" material="void" name="x = 1, y = 2, z = 4" region="4 -7 8 -11 15 -18" universe="1" />
-  <cell id="423" material="void" name="x = 2, y = 2, z = 4" region="7 -10 8 -11 15 -18" universe="1" />
-  <cell id="424" material="void" name="x = 3, y = 2, z = 4" region="10 -13 8 -11 15 -18" universe="1" />
-  <cell id="425" material="void" name="x = 4, y = 2, z = 4" region="13 -16 8 -11 15 -18" universe="1" />
-  <cell id="426" material="void" name="x = 5, y = 2, z = 4" region="16 -19 8 -11 15 -18" universe="1" />
-  <cell id="427" material="void" name="x = 6, y = 2, z = 4" region="19 -22 8 -11 15 -18" universe="1" />
-  <cell id="428" material="void" name="x = 7, y = 2, z = 4" region="22 -25 8 -11 15 -18" universe="1" />
-  <cell id="429" material="void" name="x = 8, y = 2, z = 4" region="25 -28 8 -11 15 -18" universe="1" />
-  <cell id="430" material="void" name="x = 9, y = 2, z = 4" region="28 -31 8 -11 15 -18" universe="1" />
-  <cell id="431" material="void" name="x = 0, y = 3, z = 4" region="1 -4 11 -14 15 -18" universe="1" />
-  <cell id="432" material="void" name="x = 1, y = 3, z = 4" region="4 -7 11 -14 15 -18" universe="1" />
-  <cell id="433" material="void" name="x = 2, y = 3, z = 4" region="7 -10 11 -14 15 -18" universe="1" />
-  <cell id="434" material="void" name="x = 3, y = 3, z = 4" region="10 -13 11 -14 15 -18" universe="1" />
-  <cell id="435" material="void" name="x = 4, y = 3, z = 4" region="13 -16 11 -14 15 -18" universe="1" />
-  <cell id="436" material="void" name="x = 5, y = 3, z = 4" region="16 -19 11 -14 15 -18" universe="1" />
-  <cell id="437" material="void" name="x = 6, y = 3, z = 4" region="19 -22 11 -14 15 -18" universe="1" />
-  <cell id="438" material="void" name="x = 7, y = 3, z = 4" region="22 -25 11 -14 15 -18" universe="1" />
-  <cell id="439" material="void" name="x = 8, y = 3, z = 4" region="25 -28 11 -14 15 -18" universe="1" />
-  <cell id="440" material="void" name="x = 9, y = 3, z = 4" region="28 -31 11 -14 15 -18" universe="1" />
-  <cell id="441" material="void" name="x = 0, y = 4, z = 4" region="1 -4 14 -17 15 -18" universe="1" />
-  <cell id="442" material="void" name="x = 1, y = 4, z = 4" region="4 -7 14 -17 15 -18" universe="1" />
-  <cell id="443" material="void" name="x = 2, y = 4, z = 4" region="7 -10 14 -17 15 -18" universe="1" />
-  <cell id="444" material="void" name="x = 3, y = 4, z = 4" region="10 -13 14 -17 15 -18" universe="1" />
-  <cell id="445" material="void" name="x = 4, y = 4, z = 4" region="13 -16 14 -17 15 -18" universe="1" />
-  <cell id="446" material="void" name="x = 5, y = 4, z = 4" region="16 -19 14 -17 15 -18" universe="1" />
-  <cell id="447" material="void" name="x = 6, y = 4, z = 4" region="19 -22 14 -17 15 -18" universe="1" />
-  <cell id="448" material="void" name="x = 7, y = 4, z = 4" region="22 -25 14 -17 15 -18" universe="1" />
-  <cell id="449" material="void" name="x = 8, y = 4, z = 4" region="25 -28 14 -17 15 -18" universe="1" />
-  <cell id="450" material="void" name="x = 9, y = 4, z = 4" region="28 -31 14 -17 15 -18" universe="1" />
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-  <cell id="453" material="void" name="x = 2, y = 5, z = 4" region="7 -10 17 -20 15 -18" universe="1" />
-  <cell id="454" material="void" name="x = 3, y = 5, z = 4" region="10 -13 17 -20 15 -18" universe="1" />
-  <cell id="455" material="void" name="x = 4, y = 5, z = 4" region="13 -16 17 -20 15 -18" universe="1" />
-  <cell id="456" material="void" name="x = 5, y = 5, z = 4" region="16 -19 17 -20 15 -18" universe="1" />
-  <cell id="457" material="void" name="x = 6, y = 5, z = 4" region="19 -22 17 -20 15 -18" universe="1" />
-  <cell id="458" material="void" name="x = 7, y = 5, z = 4" region="22 -25 17 -20 15 -18" universe="1" />
-  <cell id="459" material="void" name="x = 8, y = 5, z = 4" region="25 -28 17 -20 15 -18" universe="1" />
-  <cell id="460" material="void" name="x = 9, y = 5, z = 4" region="28 -31 17 -20 15 -18" universe="1" />
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-  <cell id="463" material="void" name="x = 2, y = 6, z = 4" region="7 -10 20 -23 15 -18" universe="1" />
-  <cell id="464" material="void" name="x = 3, y = 6, z = 4" region="10 -13 20 -23 15 -18" universe="1" />
-  <cell id="465" material="void" name="x = 4, y = 6, z = 4" region="13 -16 20 -23 15 -18" universe="1" />
-  <cell id="466" material="void" name="x = 5, y = 6, z = 4" region="16 -19 20 -23 15 -18" universe="1" />
-  <cell id="467" material="void" name="x = 6, y = 6, z = 4" region="19 -22 20 -23 15 -18" universe="1" />
-  <cell id="468" material="void" name="x = 7, y = 6, z = 4" region="22 -25 20 -23 15 -18" universe="1" />
-  <cell id="469" material="void" name="x = 8, y = 6, z = 4" region="25 -28 20 -23 15 -18" universe="1" />
-  <cell id="470" material="void" name="x = 9, y = 6, z = 4" region="28 -31 20 -23 15 -18" universe="1" />
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-  <cell id="473" material="void" name="x = 2, y = 7, z = 4" region="7 -10 23 -26 15 -18" universe="1" />
-  <cell id="474" material="void" name="x = 3, y = 7, z = 4" region="10 -13 23 -26 15 -18" universe="1" />
-  <cell id="475" material="void" name="x = 4, y = 7, z = 4" region="13 -16 23 -26 15 -18" universe="1" />
-  <cell id="476" material="void" name="x = 5, y = 7, z = 4" region="16 -19 23 -26 15 -18" universe="1" />
-  <cell id="477" material="void" name="x = 6, y = 7, z = 4" region="19 -22 23 -26 15 -18" universe="1" />
-  <cell id="478" material="void" name="x = 7, y = 7, z = 4" region="22 -25 23 -26 15 -18" universe="1" />
-  <cell id="479" material="void" name="x = 8, y = 7, z = 4" region="25 -28 23 -26 15 -18" universe="1" />
-  <cell id="480" material="void" name="x = 9, y = 7, z = 4" region="28 -31 23 -26 15 -18" universe="1" />
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-  <cell id="482" material="void" name="x = 1, y = 8, z = 4" region="4 -7 26 -29 15 -18" universe="1" />
-  <cell id="483" material="void" name="x = 2, y = 8, z = 4" region="7 -10 26 -29 15 -18" universe="1" />
-  <cell id="484" material="void" name="x = 3, y = 8, z = 4" region="10 -13 26 -29 15 -18" universe="1" />
-  <cell id="485" material="void" name="x = 4, y = 8, z = 4" region="13 -16 26 -29 15 -18" universe="1" />
-  <cell id="486" material="void" name="x = 5, y = 8, z = 4" region="16 -19 26 -29 15 -18" universe="1" />
-  <cell id="487" material="void" name="x = 6, y = 8, z = 4" region="19 -22 26 -29 15 -18" universe="1" />
-  <cell id="488" material="void" name="x = 7, y = 8, z = 4" region="22 -25 26 -29 15 -18" universe="1" />
-  <cell id="489" material="void" name="x = 8, y = 8, z = 4" region="25 -28 26 -29 15 -18" universe="1" />
-  <cell id="490" material="void" name="x = 9, y = 8, z = 4" region="28 -31 26 -29 15 -18" universe="1" />
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-  <cell id="492" material="void" name="x = 1, y = 9, z = 4" region="4 -7 29 -32 15 -18" universe="1" />
-  <cell id="493" material="void" name="x = 2, y = 9, z = 4" region="7 -10 29 -32 15 -18" universe="1" />
-  <cell id="494" material="void" name="x = 3, y = 9, z = 4" region="10 -13 29 -32 15 -18" universe="1" />
-  <cell id="495" material="void" name="x = 4, y = 9, z = 4" region="13 -16 29 -32 15 -18" universe="1" />
-  <cell id="496" material="void" name="x = 5, y = 9, z = 4" region="16 -19 29 -32 15 -18" universe="1" />
-  <cell id="497" material="void" name="x = 6, y = 9, z = 4" region="19 -22 29 -32 15 -18" universe="1" />
-  <cell id="498" material="void" name="x = 7, y = 9, z = 4" region="22 -25 29 -32 15 -18" universe="1" />
-  <cell id="499" material="void" name="x = 8, y = 9, z = 4" region="25 -28 29 -32 15 -18" universe="1" />
-  <cell id="500" material="void" name="x = 9, y = 9, z = 4" region="28 -31 29 -32 15 -18" universe="1" />
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-  <cell id="502" material="void" name="x = 1, y = 0, z = 5" region="4 -7 2 -5 18 -21" universe="1" />
-  <cell id="503" material="void" name="x = 2, y = 0, z = 5" region="7 -10 2 -5 18 -21" universe="1" />
-  <cell id="504" material="void" name="x = 3, y = 0, z = 5" region="10 -13 2 -5 18 -21" universe="1" />
-  <cell id="505" material="void" name="x = 4, y = 0, z = 5" region="13 -16 2 -5 18 -21" universe="1" />
-  <cell id="506" material="void" name="x = 5, y = 0, z = 5" region="16 -19 2 -5 18 -21" universe="1" />
-  <cell id="507" material="void" name="x = 6, y = 0, z = 5" region="19 -22 2 -5 18 -21" universe="1" />
-  <cell id="508" material="void" name="x = 7, y = 0, z = 5" region="22 -25 2 -5 18 -21" universe="1" />
-  <cell id="509" material="void" name="x = 8, y = 0, z = 5" region="25 -28 2 -5 18 -21" universe="1" />
-  <cell id="510" material="void" name="x = 9, y = 0, z = 5" region="28 -31 2 -5 18 -21" universe="1" />
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-  <cell id="512" material="void" name="x = 1, y = 1, z = 5" region="4 -7 5 -8 18 -21" universe="1" />
-  <cell id="513" material="void" name="x = 2, y = 1, z = 5" region="7 -10 5 -8 18 -21" universe="1" />
-  <cell id="514" material="void" name="x = 3, y = 1, z = 5" region="10 -13 5 -8 18 -21" universe="1" />
-  <cell id="515" material="void" name="x = 4, y = 1, z = 5" region="13 -16 5 -8 18 -21" universe="1" />
-  <cell id="516" material="void" name="x = 5, y = 1, z = 5" region="16 -19 5 -8 18 -21" universe="1" />
-  <cell id="517" material="void" name="x = 6, y = 1, z = 5" region="19 -22 5 -8 18 -21" universe="1" />
-  <cell id="518" material="void" name="x = 7, y = 1, z = 5" region="22 -25 5 -8 18 -21" universe="1" />
-  <cell id="519" material="void" name="x = 8, y = 1, z = 5" region="25 -28 5 -8 18 -21" universe="1" />
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-  <cell id="524" material="void" name="x = 3, y = 2, z = 5" region="10 -13 8 -11 18 -21" universe="1" />
-  <cell id="525" material="void" name="x = 4, y = 2, z = 5" region="13 -16 8 -11 18 -21" universe="1" />
-  <cell id="526" material="void" name="x = 5, y = 2, z = 5" region="16 -19 8 -11 18 -21" universe="1" />
-  <cell id="527" material="void" name="x = 6, y = 2, z = 5" region="19 -22 8 -11 18 -21" universe="1" />
-  <cell id="528" material="void" name="x = 7, y = 2, z = 5" region="22 -25 8 -11 18 -21" universe="1" />
-  <cell id="529" material="void" name="x = 8, y = 2, z = 5" region="25 -28 8 -11 18 -21" universe="1" />
-  <cell id="530" material="void" name="x = 9, y = 2, z = 5" region="28 -31 8 -11 18 -21" universe="1" />
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-  <cell id="534" material="void" name="x = 3, y = 3, z = 5" region="10 -13 11 -14 18 -21" universe="1" />
-  <cell id="535" material="void" name="x = 4, y = 3, z = 5" region="13 -16 11 -14 18 -21" universe="1" />
-  <cell id="536" material="void" name="x = 5, y = 3, z = 5" region="16 -19 11 -14 18 -21" universe="1" />
-  <cell id="537" material="void" name="x = 6, y = 3, z = 5" region="19 -22 11 -14 18 -21" universe="1" />
-  <cell id="538" material="void" name="x = 7, y = 3, z = 5" region="22 -25 11 -14 18 -21" universe="1" />
-  <cell id="539" material="void" name="x = 8, y = 3, z = 5" region="25 -28 11 -14 18 -21" universe="1" />
-  <cell id="540" material="void" name="x = 9, y = 3, z = 5" region="28 -31 11 -14 18 -21" universe="1" />
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-  <cell id="545" material="void" name="x = 4, y = 4, z = 5" region="13 -16 14 -17 18 -21" universe="1" />
-  <cell id="546" material="void" name="x = 5, y = 4, z = 5" region="16 -19 14 -17 18 -21" universe="1" />
-  <cell id="547" material="void" name="x = 6, y = 4, z = 5" region="19 -22 14 -17 18 -21" universe="1" />
-  <cell id="548" material="void" name="x = 7, y = 4, z = 5" region="22 -25 14 -17 18 -21" universe="1" />
-  <cell id="549" material="void" name="x = 8, y = 4, z = 5" region="25 -28 14 -17 18 -21" universe="1" />
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-  <cell id="555" material="void" name="x = 4, y = 5, z = 5" region="13 -16 17 -20 18 -21" universe="1" />
-  <cell id="556" material="void" name="x = 5, y = 5, z = 5" region="16 -19 17 -20 18 -21" universe="1" />
-  <cell id="557" material="void" name="x = 6, y = 5, z = 5" region="19 -22 17 -20 18 -21" universe="1" />
-  <cell id="558" material="void" name="x = 7, y = 5, z = 5" region="22 -25 17 -20 18 -21" universe="1" />
-  <cell id="559" material="void" name="x = 8, y = 5, z = 5" region="25 -28 17 -20 18 -21" universe="1" />
-  <cell id="560" material="void" name="x = 9, y = 5, z = 5" region="28 -31 17 -20 18 -21" universe="1" />
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-  <cell id="564" material="void" name="x = 3, y = 6, z = 5" region="10 -13 20 -23 18 -21" universe="1" />
-  <cell id="565" material="void" name="x = 4, y = 6, z = 5" region="13 -16 20 -23 18 -21" universe="1" />
-  <cell id="566" material="void" name="x = 5, y = 6, z = 5" region="16 -19 20 -23 18 -21" universe="1" />
-  <cell id="567" material="void" name="x = 6, y = 6, z = 5" region="19 -22 20 -23 18 -21" universe="1" />
-  <cell id="568" material="void" name="x = 7, y = 6, z = 5" region="22 -25 20 -23 18 -21" universe="1" />
-  <cell id="569" material="void" name="x = 8, y = 6, z = 5" region="25 -28 20 -23 18 -21" universe="1" />
-  <cell id="570" material="void" name="x = 9, y = 6, z = 5" region="28 -31 20 -23 18 -21" universe="1" />
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-  <cell id="572" material="void" name="x = 1, y = 7, z = 5" region="4 -7 23 -26 18 -21" universe="1" />
-  <cell id="573" material="void" name="x = 2, y = 7, z = 5" region="7 -10 23 -26 18 -21" universe="1" />
-  <cell id="574" material="void" name="x = 3, y = 7, z = 5" region="10 -13 23 -26 18 -21" universe="1" />
-  <cell id="575" material="void" name="x = 4, y = 7, z = 5" region="13 -16 23 -26 18 -21" universe="1" />
-  <cell id="576" material="void" name="x = 5, y = 7, z = 5" region="16 -19 23 -26 18 -21" universe="1" />
-  <cell id="577" material="void" name="x = 6, y = 7, z = 5" region="19 -22 23 -26 18 -21" universe="1" />
-  <cell id="578" material="void" name="x = 7, y = 7, z = 5" region="22 -25 23 -26 18 -21" universe="1" />
-  <cell id="579" material="void" name="x = 8, y = 7, z = 5" region="25 -28 23 -26 18 -21" universe="1" />
-  <cell id="580" material="void" name="x = 9, y = 7, z = 5" region="28 -31 23 -26 18 -21" universe="1" />
-  <cell id="581" material="void" name="x = 0, y = 8, z = 5" region="1 -4 26 -29 18 -21" universe="1" />
-  <cell id="582" material="void" name="x = 1, y = 8, z = 5" region="4 -7 26 -29 18 -21" universe="1" />
-  <cell id="583" material="void" name="x = 2, y = 8, z = 5" region="7 -10 26 -29 18 -21" universe="1" />
-  <cell id="584" material="void" name="x = 3, y = 8, z = 5" region="10 -13 26 -29 18 -21" universe="1" />
-  <cell id="585" material="void" name="x = 4, y = 8, z = 5" region="13 -16 26 -29 18 -21" universe="1" />
-  <cell id="586" material="void" name="x = 5, y = 8, z = 5" region="16 -19 26 -29 18 -21" universe="1" />
-  <cell id="587" material="void" name="x = 6, y = 8, z = 5" region="19 -22 26 -29 18 -21" universe="1" />
-  <cell id="588" material="void" name="x = 7, y = 8, z = 5" region="22 -25 26 -29 18 -21" universe="1" />
-  <cell id="589" material="void" name="x = 8, y = 8, z = 5" region="25 -28 26 -29 18 -21" universe="1" />
-  <cell id="590" material="void" name="x = 9, y = 8, z = 5" region="28 -31 26 -29 18 -21" universe="1" />
-  <cell id="591" material="void" name="x = 0, y = 9, z = 5" region="1 -4 29 -32 18 -21" universe="1" />
-  <cell id="592" material="void" name="x = 1, y = 9, z = 5" region="4 -7 29 -32 18 -21" universe="1" />
-  <cell id="593" material="void" name="x = 2, y = 9, z = 5" region="7 -10 29 -32 18 -21" universe="1" />
-  <cell id="594" material="void" name="x = 3, y = 9, z = 5" region="10 -13 29 -32 18 -21" universe="1" />
-  <cell id="595" material="void" name="x = 4, y = 9, z = 5" region="13 -16 29 -32 18 -21" universe="1" />
-  <cell id="596" material="void" name="x = 5, y = 9, z = 5" region="16 -19 29 -32 18 -21" universe="1" />
-  <cell id="597" material="void" name="x = 6, y = 9, z = 5" region="19 -22 29 -32 18 -21" universe="1" />
-  <cell id="598" material="void" name="x = 7, y = 9, z = 5" region="22 -25 29 -32 18 -21" universe="1" />
-  <cell id="599" material="void" name="x = 8, y = 9, z = 5" region="25 -28 29 -32 18 -21" universe="1" />
-  <cell id="600" material="void" name="x = 9, y = 9, z = 5" region="28 -31 29 -32 18 -21" universe="1" />
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-  <cell id="602" material="void" name="x = 1, y = 0, z = 6" region="4 -7 2 -5 21 -24" universe="1" />
-  <cell id="603" material="void" name="x = 2, y = 0, z = 6" region="7 -10 2 -5 21 -24" universe="1" />
-  <cell id="604" material="void" name="x = 3, y = 0, z = 6" region="10 -13 2 -5 21 -24" universe="1" />
-  <cell id="605" material="void" name="x = 4, y = 0, z = 6" region="13 -16 2 -5 21 -24" universe="1" />
-  <cell id="606" material="void" name="x = 5, y = 0, z = 6" region="16 -19 2 -5 21 -24" universe="1" />
-  <cell id="607" material="void" name="x = 6, y = 0, z = 6" region="19 -22 2 -5 21 -24" universe="1" />
-  <cell id="608" material="void" name="x = 7, y = 0, z = 6" region="22 -25 2 -5 21 -24" universe="1" />
-  <cell id="609" material="void" name="x = 8, y = 0, z = 6" region="25 -28 2 -5 21 -24" universe="1" />
-  <cell id="610" material="void" name="x = 9, y = 0, z = 6" region="28 -31 2 -5 21 -24" universe="1" />
-  <cell id="611" material="void" name="x = 0, y = 1, z = 6" region="1 -4 5 -8 21 -24" universe="1" />
-  <cell id="612" material="void" name="x = 1, y = 1, z = 6" region="4 -7 5 -8 21 -24" universe="1" />
-  <cell id="613" material="void" name="x = 2, y = 1, z = 6" region="7 -10 5 -8 21 -24" universe="1" />
-  <cell id="614" material="void" name="x = 3, y = 1, z = 6" region="10 -13 5 -8 21 -24" universe="1" />
-  <cell id="615" material="void" name="x = 4, y = 1, z = 6" region="13 -16 5 -8 21 -24" universe="1" />
-  <cell id="616" material="void" name="x = 5, y = 1, z = 6" region="16 -19 5 -8 21 -24" universe="1" />
-  <cell id="617" material="void" name="x = 6, y = 1, z = 6" region="19 -22 5 -8 21 -24" universe="1" />
-  <cell id="618" material="void" name="x = 7, y = 1, z = 6" region="22 -25 5 -8 21 -24" universe="1" />
-  <cell id="619" material="void" name="x = 8, y = 1, z = 6" region="25 -28 5 -8 21 -24" universe="1" />
-  <cell id="620" material="void" name="x = 9, y = 1, z = 6" region="28 -31 5 -8 21 -24" universe="1" />
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-  <cell id="622" material="void" name="x = 1, y = 2, z = 6" region="4 -7 8 -11 21 -24" universe="1" />
-  <cell id="623" material="void" name="x = 2, y = 2, z = 6" region="7 -10 8 -11 21 -24" universe="1" />
-  <cell id="624" material="void" name="x = 3, y = 2, z = 6" region="10 -13 8 -11 21 -24" universe="1" />
-  <cell id="625" material="void" name="x = 4, y = 2, z = 6" region="13 -16 8 -11 21 -24" universe="1" />
-  <cell id="626" material="void" name="x = 5, y = 2, z = 6" region="16 -19 8 -11 21 -24" universe="1" />
-  <cell id="627" material="void" name="x = 6, y = 2, z = 6" region="19 -22 8 -11 21 -24" universe="1" />
-  <cell id="628" material="void" name="x = 7, y = 2, z = 6" region="22 -25 8 -11 21 -24" universe="1" />
-  <cell id="629" material="void" name="x = 8, y = 2, z = 6" region="25 -28 8 -11 21 -24" universe="1" />
-  <cell id="630" material="void" name="x = 9, y = 2, z = 6" region="28 -31 8 -11 21 -24" universe="1" />
-  <cell id="631" material="void" name="x = 0, y = 3, z = 6" region="1 -4 11 -14 21 -24" universe="1" />
-  <cell id="632" material="void" name="x = 1, y = 3, z = 6" region="4 -7 11 -14 21 -24" universe="1" />
-  <cell id="633" material="void" name="x = 2, y = 3, z = 6" region="7 -10 11 -14 21 -24" universe="1" />
-  <cell id="634" material="void" name="x = 3, y = 3, z = 6" region="10 -13 11 -14 21 -24" universe="1" />
-  <cell id="635" material="void" name="x = 4, y = 3, z = 6" region="13 -16 11 -14 21 -24" universe="1" />
-  <cell id="636" material="void" name="x = 5, y = 3, z = 6" region="16 -19 11 -14 21 -24" universe="1" />
-  <cell id="637" material="void" name="x = 6, y = 3, z = 6" region="19 -22 11 -14 21 -24" universe="1" />
-  <cell id="638" material="void" name="x = 7, y = 3, z = 6" region="22 -25 11 -14 21 -24" universe="1" />
-  <cell id="639" material="void" name="x = 8, y = 3, z = 6" region="25 -28 11 -14 21 -24" universe="1" />
-  <cell id="640" material="void" name="x = 9, y = 3, z = 6" region="28 -31 11 -14 21 -24" universe="1" />
-  <cell id="641" material="void" name="x = 0, y = 4, z = 6" region="1 -4 14 -17 21 -24" universe="1" />
-  <cell id="642" material="void" name="x = 1, y = 4, z = 6" region="4 -7 14 -17 21 -24" universe="1" />
-  <cell id="643" material="void" name="x = 2, y = 4, z = 6" region="7 -10 14 -17 21 -24" universe="1" />
-  <cell id="644" material="void" name="x = 3, y = 4, z = 6" region="10 -13 14 -17 21 -24" universe="1" />
-  <cell id="645" material="void" name="x = 4, y = 4, z = 6" region="13 -16 14 -17 21 -24" universe="1" />
-  <cell id="646" material="void" name="x = 5, y = 4, z = 6" region="16 -19 14 -17 21 -24" universe="1" />
-  <cell id="647" material="void" name="x = 6, y = 4, z = 6" region="19 -22 14 -17 21 -24" universe="1" />
-  <cell id="648" material="void" name="x = 7, y = 4, z = 6" region="22 -25 14 -17 21 -24" universe="1" />
-  <cell id="649" material="void" name="x = 8, y = 4, z = 6" region="25 -28 14 -17 21 -24" universe="1" />
-  <cell id="650" material="void" name="x = 9, y = 4, z = 6" region="28 -31 14 -17 21 -24" universe="1" />
-  <cell id="651" material="void" name="x = 0, y = 5, z = 6" region="1 -4 17 -20 21 -24" universe="1" />
-  <cell id="652" material="void" name="x = 1, y = 5, z = 6" region="4 -7 17 -20 21 -24" universe="1" />
-  <cell id="653" material="void" name="x = 2, y = 5, z = 6" region="7 -10 17 -20 21 -24" universe="1" />
-  <cell id="654" material="void" name="x = 3, y = 5, z = 6" region="10 -13 17 -20 21 -24" universe="1" />
-  <cell id="655" material="void" name="x = 4, y = 5, z = 6" region="13 -16 17 -20 21 -24" universe="1" />
-  <cell id="656" material="void" name="x = 5, y = 5, z = 6" region="16 -19 17 -20 21 -24" universe="1" />
-  <cell id="657" material="void" name="x = 6, y = 5, z = 6" region="19 -22 17 -20 21 -24" universe="1" />
-  <cell id="658" material="void" name="x = 7, y = 5, z = 6" region="22 -25 17 -20 21 -24" universe="1" />
-  <cell id="659" material="void" name="x = 8, y = 5, z = 6" region="25 -28 17 -20 21 -24" universe="1" />
-  <cell id="660" material="void" name="x = 9, y = 5, z = 6" region="28 -31 17 -20 21 -24" universe="1" />
-  <cell id="661" material="void" name="x = 0, y = 6, z = 6" region="1 -4 20 -23 21 -24" universe="1" />
-  <cell id="662" material="void" name="x = 1, y = 6, z = 6" region="4 -7 20 -23 21 -24" universe="1" />
-  <cell id="663" material="void" name="x = 2, y = 6, z = 6" region="7 -10 20 -23 21 -24" universe="1" />
-  <cell id="664" material="void" name="x = 3, y = 6, z = 6" region="10 -13 20 -23 21 -24" universe="1" />
-  <cell id="665" material="void" name="x = 4, y = 6, z = 6" region="13 -16 20 -23 21 -24" universe="1" />
-  <cell id="666" material="void" name="x = 5, y = 6, z = 6" region="16 -19 20 -23 21 -24" universe="1" />
-  <cell id="667" material="void" name="x = 6, y = 6, z = 6" region="19 -22 20 -23 21 -24" universe="1" />
-  <cell id="668" material="void" name="x = 7, y = 6, z = 6" region="22 -25 20 -23 21 -24" universe="1" />
-  <cell id="669" material="void" name="x = 8, y = 6, z = 6" region="25 -28 20 -23 21 -24" universe="1" />
-  <cell id="670" material="void" name="x = 9, y = 6, z = 6" region="28 -31 20 -23 21 -24" universe="1" />
-  <cell id="671" material="void" name="x = 0, y = 7, z = 6" region="1 -4 23 -26 21 -24" universe="1" />
-  <cell id="672" material="void" name="x = 1, y = 7, z = 6" region="4 -7 23 -26 21 -24" universe="1" />
-  <cell id="673" material="void" name="x = 2, y = 7, z = 6" region="7 -10 23 -26 21 -24" universe="1" />
-  <cell id="674" material="void" name="x = 3, y = 7, z = 6" region="10 -13 23 -26 21 -24" universe="1" />
-  <cell id="675" material="void" name="x = 4, y = 7, z = 6" region="13 -16 23 -26 21 -24" universe="1" />
-  <cell id="676" material="void" name="x = 5, y = 7, z = 6" region="16 -19 23 -26 21 -24" universe="1" />
-  <cell id="677" material="void" name="x = 6, y = 7, z = 6" region="19 -22 23 -26 21 -24" universe="1" />
-  <cell id="678" material="void" name="x = 7, y = 7, z = 6" region="22 -25 23 -26 21 -24" universe="1" />
-  <cell id="679" material="void" name="x = 8, y = 7, z = 6" region="25 -28 23 -26 21 -24" universe="1" />
-  <cell id="680" material="void" name="x = 9, y = 7, z = 6" region="28 -31 23 -26 21 -24" universe="1" />
-  <cell id="681" material="void" name="x = 0, y = 8, z = 6" region="1 -4 26 -29 21 -24" universe="1" />
-  <cell id="682" material="void" name="x = 1, y = 8, z = 6" region="4 -7 26 -29 21 -24" universe="1" />
-  <cell id="683" material="void" name="x = 2, y = 8, z = 6" region="7 -10 26 -29 21 -24" universe="1" />
-  <cell id="684" material="void" name="x = 3, y = 8, z = 6" region="10 -13 26 -29 21 -24" universe="1" />
-  <cell id="685" material="void" name="x = 4, y = 8, z = 6" region="13 -16 26 -29 21 -24" universe="1" />
-  <cell id="686" material="void" name="x = 5, y = 8, z = 6" region="16 -19 26 -29 21 -24" universe="1" />
-  <cell id="687" material="void" name="x = 6, y = 8, z = 6" region="19 -22 26 -29 21 -24" universe="1" />
-  <cell id="688" material="void" name="x = 7, y = 8, z = 6" region="22 -25 26 -29 21 -24" universe="1" />
-  <cell id="689" material="void" name="x = 8, y = 8, z = 6" region="25 -28 26 -29 21 -24" universe="1" />
-  <cell id="690" material="void" name="x = 9, y = 8, z = 6" region="28 -31 26 -29 21 -24" universe="1" />
-  <cell id="691" material="void" name="x = 0, y = 9, z = 6" region="1 -4 29 -32 21 -24" universe="1" />
-  <cell id="692" material="void" name="x = 1, y = 9, z = 6" region="4 -7 29 -32 21 -24" universe="1" />
-  <cell id="693" material="void" name="x = 2, y = 9, z = 6" region="7 -10 29 -32 21 -24" universe="1" />
-  <cell id="694" material="void" name="x = 3, y = 9, z = 6" region="10 -13 29 -32 21 -24" universe="1" />
-  <cell id="695" material="void" name="x = 4, y = 9, z = 6" region="13 -16 29 -32 21 -24" universe="1" />
-  <cell id="696" material="void" name="x = 5, y = 9, z = 6" region="16 -19 29 -32 21 -24" universe="1" />
-  <cell id="697" material="void" name="x = 6, y = 9, z = 6" region="19 -22 29 -32 21 -24" universe="1" />
-  <cell id="698" material="void" name="x = 7, y = 9, z = 6" region="22 -25 29 -32 21 -24" universe="1" />
-  <cell id="699" material="void" name="x = 8, y = 9, z = 6" region="25 -28 29 -32 21 -24" universe="1" />
-  <cell id="700" material="void" name="x = 9, y = 9, z = 6" region="28 -31 29 -32 21 -24" universe="1" />
-  <cell id="701" material="void" name="x = 0, y = 0, z = 7" region="1 -4 2 -5 24 -27" universe="1" />
-  <cell id="702" material="void" name="x = 1, y = 0, z = 7" region="4 -7 2 -5 24 -27" universe="1" />
-  <cell id="703" material="void" name="x = 2, y = 0, z = 7" region="7 -10 2 -5 24 -27" universe="1" />
-  <cell id="704" material="void" name="x = 3, y = 0, z = 7" region="10 -13 2 -5 24 -27" universe="1" />
-  <cell id="705" material="void" name="x = 4, y = 0, z = 7" region="13 -16 2 -5 24 -27" universe="1" />
-  <cell id="706" material="void" name="x = 5, y = 0, z = 7" region="16 -19 2 -5 24 -27" universe="1" />
-  <cell id="707" material="void" name="x = 6, y = 0, z = 7" region="19 -22 2 -5 24 -27" universe="1" />
-  <cell id="708" material="void" name="x = 7, y = 0, z = 7" region="22 -25 2 -5 24 -27" universe="1" />
-  <cell id="709" material="void" name="x = 8, y = 0, z = 7" region="25 -28 2 -5 24 -27" universe="1" />
-  <cell id="710" material="void" name="x = 9, y = 0, z = 7" region="28 -31 2 -5 24 -27" universe="1" />
-  <cell id="711" material="void" name="x = 0, y = 1, z = 7" region="1 -4 5 -8 24 -27" universe="1" />
-  <cell id="712" material="void" name="x = 1, y = 1, z = 7" region="4 -7 5 -8 24 -27" universe="1" />
-  <cell id="713" material="void" name="x = 2, y = 1, z = 7" region="7 -10 5 -8 24 -27" universe="1" />
-  <cell id="714" material="void" name="x = 3, y = 1, z = 7" region="10 -13 5 -8 24 -27" universe="1" />
-  <cell id="715" material="void" name="x = 4, y = 1, z = 7" region="13 -16 5 -8 24 -27" universe="1" />
-  <cell id="716" material="void" name="x = 5, y = 1, z = 7" region="16 -19 5 -8 24 -27" universe="1" />
-  <cell id="717" material="void" name="x = 6, y = 1, z = 7" region="19 -22 5 -8 24 -27" universe="1" />
-  <cell id="718" material="void" name="x = 7, y = 1, z = 7" region="22 -25 5 -8 24 -27" universe="1" />
-  <cell id="719" material="void" name="x = 8, y = 1, z = 7" region="25 -28 5 -8 24 -27" universe="1" />
-  <cell id="720" material="void" name="x = 9, y = 1, z = 7" region="28 -31 5 -8 24 -27" universe="1" />
-  <cell id="721" material="void" name="x = 0, y = 2, z = 7" region="1 -4 8 -11 24 -27" universe="1" />
-  <cell id="722" material="void" name="x = 1, y = 2, z = 7" region="4 -7 8 -11 24 -27" universe="1" />
-  <cell id="723" material="void" name="x = 2, y = 2, z = 7" region="7 -10 8 -11 24 -27" universe="1" />
-  <cell id="724" material="void" name="x = 3, y = 2, z = 7" region="10 -13 8 -11 24 -27" universe="1" />
-  <cell id="725" material="void" name="x = 4, y = 2, z = 7" region="13 -16 8 -11 24 -27" universe="1" />
-  <cell id="726" material="void" name="x = 5, y = 2, z = 7" region="16 -19 8 -11 24 -27" universe="1" />
-  <cell id="727" material="void" name="x = 6, y = 2, z = 7" region="19 -22 8 -11 24 -27" universe="1" />
-  <cell id="728" material="void" name="x = 7, y = 2, z = 7" region="22 -25 8 -11 24 -27" universe="1" />
-  <cell id="729" material="void" name="x = 8, y = 2, z = 7" region="25 -28 8 -11 24 -27" universe="1" />
-  <cell id="730" material="void" name="x = 9, y = 2, z = 7" region="28 -31 8 -11 24 -27" universe="1" />
-  <cell id="731" material="void" name="x = 0, y = 3, z = 7" region="1 -4 11 -14 24 -27" universe="1" />
-  <cell id="732" material="void" name="x = 1, y = 3, z = 7" region="4 -7 11 -14 24 -27" universe="1" />
-  <cell id="733" material="void" name="x = 2, y = 3, z = 7" region="7 -10 11 -14 24 -27" universe="1" />
-  <cell id="734" material="void" name="x = 3, y = 3, z = 7" region="10 -13 11 -14 24 -27" universe="1" />
-  <cell id="735" material="void" name="x = 4, y = 3, z = 7" region="13 -16 11 -14 24 -27" universe="1" />
-  <cell id="736" material="void" name="x = 5, y = 3, z = 7" region="16 -19 11 -14 24 -27" universe="1" />
-  <cell id="737" material="void" name="x = 6, y = 3, z = 7" region="19 -22 11 -14 24 -27" universe="1" />
-  <cell id="738" material="void" name="x = 7, y = 3, z = 7" region="22 -25 11 -14 24 -27" universe="1" />
-  <cell id="739" material="void" name="x = 8, y = 3, z = 7" region="25 -28 11 -14 24 -27" universe="1" />
-  <cell id="740" material="void" name="x = 9, y = 3, z = 7" region="28 -31 11 -14 24 -27" universe="1" />
-  <cell id="741" material="void" name="x = 0, y = 4, z = 7" region="1 -4 14 -17 24 -27" universe="1" />
-  <cell id="742" material="void" name="x = 1, y = 4, z = 7" region="4 -7 14 -17 24 -27" universe="1" />
-  <cell id="743" material="void" name="x = 2, y = 4, z = 7" region="7 -10 14 -17 24 -27" universe="1" />
-  <cell id="744" material="void" name="x = 3, y = 4, z = 7" region="10 -13 14 -17 24 -27" universe="1" />
-  <cell id="745" material="void" name="x = 4, y = 4, z = 7" region="13 -16 14 -17 24 -27" universe="1" />
-  <cell id="746" material="void" name="x = 5, y = 4, z = 7" region="16 -19 14 -17 24 -27" universe="1" />
-  <cell id="747" material="void" name="x = 6, y = 4, z = 7" region="19 -22 14 -17 24 -27" universe="1" />
-  <cell id="748" material="void" name="x = 7, y = 4, z = 7" region="22 -25 14 -17 24 -27" universe="1" />
-  <cell id="749" material="void" name="x = 8, y = 4, z = 7" region="25 -28 14 -17 24 -27" universe="1" />
-  <cell id="750" material="void" name="x = 9, y = 4, z = 7" region="28 -31 14 -17 24 -27" universe="1" />
-  <cell id="751" material="void" name="x = 0, y = 5, z = 7" region="1 -4 17 -20 24 -27" universe="1" />
-  <cell id="752" material="void" name="x = 1, y = 5, z = 7" region="4 -7 17 -20 24 -27" universe="1" />
-  <cell id="753" material="void" name="x = 2, y = 5, z = 7" region="7 -10 17 -20 24 -27" universe="1" />
-  <cell id="754" material="void" name="x = 3, y = 5, z = 7" region="10 -13 17 -20 24 -27" universe="1" />
-  <cell id="755" material="void" name="x = 4, y = 5, z = 7" region="13 -16 17 -20 24 -27" universe="1" />
-  <cell id="756" material="void" name="x = 5, y = 5, z = 7" region="16 -19 17 -20 24 -27" universe="1" />
-  <cell id="757" material="void" name="x = 6, y = 5, z = 7" region="19 -22 17 -20 24 -27" universe="1" />
-  <cell id="758" material="void" name="x = 7, y = 5, z = 7" region="22 -25 17 -20 24 -27" universe="1" />
-  <cell id="759" material="void" name="x = 8, y = 5, z = 7" region="25 -28 17 -20 24 -27" universe="1" />
-  <cell id="760" material="void" name="x = 9, y = 5, z = 7" region="28 -31 17 -20 24 -27" universe="1" />
-  <cell id="761" material="void" name="x = 0, y = 6, z = 7" region="1 -4 20 -23 24 -27" universe="1" />
-  <cell id="762" material="void" name="x = 1, y = 6, z = 7" region="4 -7 20 -23 24 -27" universe="1" />
-  <cell id="763" material="void" name="x = 2, y = 6, z = 7" region="7 -10 20 -23 24 -27" universe="1" />
-  <cell id="764" material="void" name="x = 3, y = 6, z = 7" region="10 -13 20 -23 24 -27" universe="1" />
-  <cell id="765" material="void" name="x = 4, y = 6, z = 7" region="13 -16 20 -23 24 -27" universe="1" />
-  <cell id="766" material="void" name="x = 5, y = 6, z = 7" region="16 -19 20 -23 24 -27" universe="1" />
-  <cell id="767" material="void" name="x = 6, y = 6, z = 7" region="19 -22 20 -23 24 -27" universe="1" />
-  <cell id="768" material="void" name="x = 7, y = 6, z = 7" region="22 -25 20 -23 24 -27" universe="1" />
-  <cell id="769" material="void" name="x = 8, y = 6, z = 7" region="25 -28 20 -23 24 -27" universe="1" />
-  <cell id="770" material="void" name="x = 9, y = 6, z = 7" region="28 -31 20 -23 24 -27" universe="1" />
-  <cell id="771" material="void" name="x = 0, y = 7, z = 7" region="1 -4 23 -26 24 -27" universe="1" />
-  <cell id="772" material="void" name="x = 1, y = 7, z = 7" region="4 -7 23 -26 24 -27" universe="1" />
-  <cell id="773" material="void" name="x = 2, y = 7, z = 7" region="7 -10 23 -26 24 -27" universe="1" />
-  <cell id="774" material="void" name="x = 3, y = 7, z = 7" region="10 -13 23 -26 24 -27" universe="1" />
-  <cell id="775" material="void" name="x = 4, y = 7, z = 7" region="13 -16 23 -26 24 -27" universe="1" />
-  <cell id="776" material="void" name="x = 5, y = 7, z = 7" region="16 -19 23 -26 24 -27" universe="1" />
-  <cell id="777" material="void" name="x = 6, y = 7, z = 7" region="19 -22 23 -26 24 -27" universe="1" />
-  <cell id="778" material="void" name="x = 7, y = 7, z = 7" region="22 -25 23 -26 24 -27" universe="1" />
-  <cell id="779" material="void" name="x = 8, y = 7, z = 7" region="25 -28 23 -26 24 -27" universe="1" />
-  <cell id="780" material="void" name="x = 9, y = 7, z = 7" region="28 -31 23 -26 24 -27" universe="1" />
-  <cell id="781" material="void" name="x = 0, y = 8, z = 7" region="1 -4 26 -29 24 -27" universe="1" />
-  <cell id="782" material="void" name="x = 1, y = 8, z = 7" region="4 -7 26 -29 24 -27" universe="1" />
-  <cell id="783" material="void" name="x = 2, y = 8, z = 7" region="7 -10 26 -29 24 -27" universe="1" />
-  <cell id="784" material="void" name="x = 3, y = 8, z = 7" region="10 -13 26 -29 24 -27" universe="1" />
-  <cell id="785" material="void" name="x = 4, y = 8, z = 7" region="13 -16 26 -29 24 -27" universe="1" />
-  <cell id="786" material="void" name="x = 5, y = 8, z = 7" region="16 -19 26 -29 24 -27" universe="1" />
-  <cell id="787" material="void" name="x = 6, y = 8, z = 7" region="19 -22 26 -29 24 -27" universe="1" />
-  <cell id="788" material="void" name="x = 7, y = 8, z = 7" region="22 -25 26 -29 24 -27" universe="1" />
-  <cell id="789" material="void" name="x = 8, y = 8, z = 7" region="25 -28 26 -29 24 -27" universe="1" />
-  <cell id="790" material="void" name="x = 9, y = 8, z = 7" region="28 -31 26 -29 24 -27" universe="1" />
-  <cell id="791" material="void" name="x = 0, y = 9, z = 7" region="1 -4 29 -32 24 -27" universe="1" />
-  <cell id="792" material="void" name="x = 1, y = 9, z = 7" region="4 -7 29 -32 24 -27" universe="1" />
-  <cell id="793" material="void" name="x = 2, y = 9, z = 7" region="7 -10 29 -32 24 -27" universe="1" />
-  <cell id="794" material="void" name="x = 3, y = 9, z = 7" region="10 -13 29 -32 24 -27" universe="1" />
-  <cell id="795" material="void" name="x = 4, y = 9, z = 7" region="13 -16 29 -32 24 -27" universe="1" />
-  <cell id="796" material="void" name="x = 5, y = 9, z = 7" region="16 -19 29 -32 24 -27" universe="1" />
-  <cell id="797" material="void" name="x = 6, y = 9, z = 7" region="19 -22 29 -32 24 -27" universe="1" />
-  <cell id="798" material="void" name="x = 7, y = 9, z = 7" region="22 -25 29 -32 24 -27" universe="1" />
-  <cell id="799" material="void" name="x = 8, y = 9, z = 7" region="25 -28 29 -32 24 -27" universe="1" />
-  <cell id="800" material="void" name="x = 9, y = 9, z = 7" region="28 -31 29 -32 24 -27" universe="1" />
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-  <cell id="802" material="void" name="x = 1, y = 0, z = 8" region="4 -7 2 -5 27 -30" universe="1" />
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-  <cell id="947" material="void" name="x = 6, y = 4, z = 9" region="19 -22 14 -17 30 -33" universe="1" />
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-  <cell id="977" material="void" name="x = 6, y = 7, z = 9" region="19 -22 23 -26 30 -33" universe="1" />
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-  <cell id="979" material="void" name="x = 8, y = 7, z = 9" region="25 -28 23 -26 30 -33" universe="1" />
-  <cell id="980" material="void" name="x = 9, y = 7, z = 9" region="28 -31 23 -26 30 -33" universe="1" />
-  <cell id="981" material="void" name="x = 0, y = 8, z = 9" region="1 -4 26 -29 30 -33" universe="1" />
-  <cell id="982" material="void" name="x = 1, y = 8, z = 9" region="4 -7 26 -29 30 -33" universe="1" />
-  <cell id="983" material="void" name="x = 2, y = 8, z = 9" region="7 -10 26 -29 30 -33" universe="1" />
-  <cell id="984" material="void" name="x = 3, y = 8, z = 9" region="10 -13 26 -29 30 -33" universe="1" />
-  <cell id="985" material="void" name="x = 4, y = 8, z = 9" region="13 -16 26 -29 30 -33" universe="1" />
-  <cell id="986" material="void" name="x = 5, y = 8, z = 9" region="16 -19 26 -29 30 -33" universe="1" />
-  <cell id="987" material="void" name="x = 6, y = 8, z = 9" region="19 -22 26 -29 30 -33" universe="1" />
-  <cell id="988" material="void" name="x = 7, y = 8, z = 9" region="22 -25 26 -29 30 -33" universe="1" />
-  <cell id="989" material="void" name="x = 8, y = 8, z = 9" region="25 -28 26 -29 30 -33" universe="1" />
-  <cell id="990" material="void" name="x = 9, y = 8, z = 9" region="28 -31 26 -29 30 -33" universe="1" />
-  <cell id="991" material="void" name="x = 0, y = 9, z = 9" region="1 -4 29 -32 30 -33" universe="1" />
-  <cell id="992" material="void" name="x = 1, y = 9, z = 9" region="4 -7 29 -32 30 -33" universe="1" />
-  <cell id="993" material="void" name="x = 2, y = 9, z = 9" region="7 -10 29 -32 30 -33" universe="1" />
-  <cell id="994" material="void" name="x = 3, y = 9, z = 9" region="10 -13 29 -32 30 -33" universe="1" />
-  <cell id="995" material="void" name="x = 4, y = 9, z = 9" region="13 -16 29 -32 30 -33" universe="1" />
-  <cell id="996" material="void" name="x = 5, y = 9, z = 9" region="16 -19 29 -32 30 -33" universe="1" />
-  <cell id="997" material="void" name="x = 6, y = 9, z = 9" region="19 -22 29 -32 30 -33" universe="1" />
-  <cell id="998" material="void" name="x = 7, y = 9, z = 9" region="22 -25 29 -32 30 -33" universe="1" />
-  <cell id="999" material="void" name="x = 8, y = 9, z = 9" region="25 -28 29 -32 30 -33" universe="1" />
-  <cell id="1000" material="void" name="x = 9, y = 9, z = 9" region="28 -31 29 -32 30 -33" universe="1" />
-  <surface boundary="vacuum" coeffs="-10.0" id="1" name="X plane at -10.0" type="x-plane" />
-  <surface boundary="vacuum" coeffs="-10.0" id="2" name="Y plane at -10.0" type="y-plane" />
-  <surface boundary="vacuum" coeffs="-10.0" id="3" name="Z plane at -10.0" type="z-plane" />
-  <surface boundary="vacuum" coeffs="-8.0" id="4" name="X plane at -8.0" type="x-plane" />
-  <surface boundary="vacuum" coeffs="-8.0" id="5" name="Y plane at -8.0" type="y-plane" />
-  <surface boundary="vacuum" coeffs="-8.0" id="6" name="Z plane at -8.0" type="z-plane" />
-  <surface boundary="vacuum" coeffs="-6.0" id="7" name="X plane at -6.0" type="x-plane" />
-  <surface boundary="vacuum" coeffs="-6.0" id="8" name="Y plane at -6.0" type="y-plane" />
-  <surface boundary="vacuum" coeffs="-6.0" id="9" name="Z plane at -6.0" type="z-plane" />
-  <surface boundary="vacuum" coeffs="-4.0" id="10" name="X plane at -4.0" type="x-plane" />
-  <surface boundary="vacuum" coeffs="-4.0" id="11" name="Y plane at -4.0" type="y-plane" />
-  <surface boundary="vacuum" coeffs="-4.0" id="12" name="Z plane at -4.0" type="z-plane" />
-  <surface boundary="vacuum" coeffs="-2.0" id="13" name="X plane at -2.0" type="x-plane" />
-  <surface boundary="vacuum" coeffs="-2.0" id="14" name="Y plane at -2.0" type="y-plane" />
-  <surface boundary="vacuum" coeffs="-2.0" id="15" name="Z plane at -2.0" type="z-plane" />
-  <surface boundary="vacuum" coeffs="0.0" id="16" name="X plane at 0.0" type="x-plane" />
-  <surface boundary="vacuum" coeffs="0.0" id="17" name="Y plane at 0.0" type="y-plane" />
-  <surface boundary="vacuum" coeffs="0.0" id="18" name="Z plane at 0.0" type="z-plane" />
-  <surface boundary="vacuum" coeffs="2.0" id="19" name="X plane at 2.0" type="x-plane" />
-  <surface boundary="vacuum" coeffs="2.0" id="20" name="Y plane at 2.0" type="y-plane" />
-  <surface boundary="vacuum" coeffs="2.0" id="21" name="Z plane at 2.0" type="z-plane" />
-  <surface boundary="vacuum" coeffs="4.0" id="22" name="X plane at 4.0" type="x-plane" />
-  <surface boundary="vacuum" coeffs="4.0" id="23" name="Y plane at 4.0" type="y-plane" />
-  <surface boundary="vacuum" coeffs="4.0" id="24" name="Z plane at 4.0" type="z-plane" />
-  <surface boundary="vacuum" coeffs="6.0" id="25" name="X plane at 6.0" type="x-plane" />
-  <surface boundary="vacuum" coeffs="6.0" id="26" name="Y plane at 6.0" type="y-plane" />
-  <surface boundary="vacuum" coeffs="6.0" id="27" name="Z plane at 6.0" type="z-plane" />
-  <surface boundary="vacuum" coeffs="8.0" id="28" name="X plane at 8.0" type="x-plane" />
-  <surface boundary="vacuum" coeffs="8.0" id="29" name="Y plane at 8.0" type="y-plane" />
-  <surface boundary="vacuum" coeffs="8.0" id="30" name="Z plane at 8.0" type="z-plane" />
-  <surface boundary="vacuum" coeffs="10.0" id="31" name="X plane at 10.0" type="x-plane" />
-  <surface boundary="vacuum" coeffs="10.0" id="32" name="Y plane at 10.0" type="y-plane" />
-  <surface boundary="vacuum" coeffs="10.0" id="33" name="Z plane at 10.0" type="z-plane" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-  <material id="3" name="water">
-    <density units="atom/b-cm" value="0.07416" />
-    <nuclide ao="2.0" name="H1" />
-    <nuclide ao="1.0" name="O16" />
-  </material>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>fixed source</run_mode>
-  <particles>5000</particles>
-  <batches>2</batches>
-  <source strength="1.0">
-    <space mesh_id="1" type="mesh" volume_normalized="True" />
-    <energy type="discrete">
-      <parameters>15000000.0 1.0</parameters>
-    </energy>
-  </source>
-  <mesh id="1" library="moab" type="unstructured">
-    <filename>test_mesh_tets.e</filename>
-  </mesh>
-  <max_tracks>10000</max_tracks>
-</settings>
diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true3.dat b/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true3.dat
deleted file mode 100644
index b4a17a948..000000000
--- a/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true3.dat
+++ /dev/null
@@ -1,1062 +0,0 @@
-<?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell id="1" material="void" name="x = 0, y = 0, z = 0" region="1 -4 2 -5 3 -6" universe="1" />
-  <cell id="2" material="void" name="x = 1, y = 0, z = 0" region="4 -7 2 -5 3 -6" universe="1" />
-  <cell id="3" material="void" name="x = 2, y = 0, z = 0" region="7 -10 2 -5 3 -6" universe="1" />
-  <cell id="4" material="void" name="x = 3, y = 0, z = 0" region="10 -13 2 -5 3 -6" universe="1" />
-  <cell id="5" material="void" name="x = 4, y = 0, z = 0" region="13 -16 2 -5 3 -6" universe="1" />
-  <cell id="6" material="void" name="x = 5, y = 0, z = 0" region="16 -19 2 -5 3 -6" universe="1" />
-  <cell id="7" material="void" name="x = 6, y = 0, z = 0" region="19 -22 2 -5 3 -6" universe="1" />
-  <cell id="8" material="void" name="x = 7, y = 0, z = 0" region="22 -25 2 -5 3 -6" universe="1" />
-  <cell id="9" material="void" name="x = 8, y = 0, z = 0" region="25 -28 2 -5 3 -6" universe="1" />
-  <cell id="10" material="void" name="x = 9, y = 0, z = 0" region="28 -31 2 -5 3 -6" universe="1" />
-  <cell id="11" material="void" name="x = 0, y = 1, z = 0" region="1 -4 5 -8 3 -6" universe="1" />
-  <cell id="12" material="void" name="x = 1, y = 1, z = 0" region="4 -7 5 -8 3 -6" universe="1" />
-  <cell id="13" material="void" name="x = 2, y = 1, z = 0" region="7 -10 5 -8 3 -6" universe="1" />
-  <cell id="14" material="void" name="x = 3, y = 1, z = 0" region="10 -13 5 -8 3 -6" universe="1" />
-  <cell id="15" material="void" name="x = 4, y = 1, z = 0" region="13 -16 5 -8 3 -6" universe="1" />
-  <cell id="16" material="void" name="x = 5, y = 1, z = 0" region="16 -19 5 -8 3 -6" universe="1" />
-  <cell id="17" material="void" name="x = 6, y = 1, z = 0" region="19 -22 5 -8 3 -6" universe="1" />
-  <cell id="18" material="void" name="x = 7, y = 1, z = 0" region="22 -25 5 -8 3 -6" universe="1" />
-  <cell id="19" material="void" name="x = 8, y = 1, z = 0" region="25 -28 5 -8 3 -6" universe="1" />
-  <cell id="20" material="void" name="x = 9, y = 1, z = 0" region="28 -31 5 -8 3 -6" universe="1" />
-  <cell id="21" material="void" name="x = 0, y = 2, z = 0" region="1 -4 8 -11 3 -6" universe="1" />
-  <cell id="22" material="void" name="x = 1, y = 2, z = 0" region="4 -7 8 -11 3 -6" universe="1" />
-  <cell id="23" material="void" name="x = 2, y = 2, z = 0" region="7 -10 8 -11 3 -6" universe="1" />
-  <cell id="24" material="void" name="x = 3, y = 2, z = 0" region="10 -13 8 -11 3 -6" universe="1" />
-  <cell id="25" material="void" name="x = 4, y = 2, z = 0" region="13 -16 8 -11 3 -6" universe="1" />
-  <cell id="26" material="void" name="x = 5, y = 2, z = 0" region="16 -19 8 -11 3 -6" universe="1" />
-  <cell id="27" material="void" name="x = 6, y = 2, z = 0" region="19 -22 8 -11 3 -6" universe="1" />
-  <cell id="28" material="void" name="x = 7, y = 2, z = 0" region="22 -25 8 -11 3 -6" universe="1" />
-  <cell id="29" material="void" name="x = 8, y = 2, z = 0" region="25 -28 8 -11 3 -6" universe="1" />
-  <cell id="30" material="void" name="x = 9, y = 2, z = 0" region="28 -31 8 -11 3 -6" universe="1" />
-  <cell id="31" material="void" name="x = 0, y = 3, z = 0" region="1 -4 11 -14 3 -6" universe="1" />
-  <cell id="32" material="void" name="x = 1, y = 3, z = 0" region="4 -7 11 -14 3 -6" universe="1" />
-  <cell id="33" material="void" name="x = 2, y = 3, z = 0" region="7 -10 11 -14 3 -6" universe="1" />
-  <cell id="34" material="void" name="x = 3, y = 3, z = 0" region="10 -13 11 -14 3 -6" universe="1" />
-  <cell id="35" material="void" name="x = 4, y = 3, z = 0" region="13 -16 11 -14 3 -6" universe="1" />
-  <cell id="36" material="void" name="x = 5, y = 3, z = 0" region="16 -19 11 -14 3 -6" universe="1" />
-  <cell id="37" material="void" name="x = 6, y = 3, z = 0" region="19 -22 11 -14 3 -6" universe="1" />
-  <cell id="38" material="void" name="x = 7, y = 3, z = 0" region="22 -25 11 -14 3 -6" universe="1" />
-  <cell id="39" material="void" name="x = 8, y = 3, z = 0" region="25 -28 11 -14 3 -6" universe="1" />
-  <cell id="40" material="void" name="x = 9, y = 3, z = 0" region="28 -31 11 -14 3 -6" universe="1" />
-  <cell id="41" material="void" name="x = 0, y = 4, z = 0" region="1 -4 14 -17 3 -6" universe="1" />
-  <cell id="42" material="void" name="x = 1, y = 4, z = 0" region="4 -7 14 -17 3 -6" universe="1" />
-  <cell id="43" material="void" name="x = 2, y = 4, z = 0" region="7 -10 14 -17 3 -6" universe="1" />
-  <cell id="44" material="void" name="x = 3, y = 4, z = 0" region="10 -13 14 -17 3 -6" universe="1" />
-  <cell id="45" material="void" name="x = 4, y = 4, z = 0" region="13 -16 14 -17 3 -6" universe="1" />
-  <cell id="46" material="void" name="x = 5, y = 4, z = 0" region="16 -19 14 -17 3 -6" universe="1" />
-  <cell id="47" material="void" name="x = 6, y = 4, z = 0" region="19 -22 14 -17 3 -6" universe="1" />
-  <cell id="48" material="void" name="x = 7, y = 4, z = 0" region="22 -25 14 -17 3 -6" universe="1" />
-  <cell id="49" material="void" name="x = 8, y = 4, z = 0" region="25 -28 14 -17 3 -6" universe="1" />
-  <cell id="50" material="void" name="x = 9, y = 4, z = 0" region="28 -31 14 -17 3 -6" universe="1" />
-  <cell id="51" material="void" name="x = 0, y = 5, z = 0" region="1 -4 17 -20 3 -6" universe="1" />
-  <cell id="52" material="void" name="x = 1, y = 5, z = 0" region="4 -7 17 -20 3 -6" universe="1" />
-  <cell id="53" material="void" name="x = 2, y = 5, z = 0" region="7 -10 17 -20 3 -6" universe="1" />
-  <cell id="54" material="void" name="x = 3, y = 5, z = 0" region="10 -13 17 -20 3 -6" universe="1" />
-  <cell id="55" material="void" name="x = 4, y = 5, z = 0" region="13 -16 17 -20 3 -6" universe="1" />
-  <cell id="56" material="void" name="x = 5, y = 5, z = 0" region="16 -19 17 -20 3 -6" universe="1" />
-  <cell id="57" material="void" name="x = 6, y = 5, z = 0" region="19 -22 17 -20 3 -6" universe="1" />
-  <cell id="58" material="void" name="x = 7, y = 5, z = 0" region="22 -25 17 -20 3 -6" universe="1" />
-  <cell id="59" material="void" name="x = 8, y = 5, z = 0" region="25 -28 17 -20 3 -6" universe="1" />
-  <cell id="60" material="void" name="x = 9, y = 5, z = 0" region="28 -31 17 -20 3 -6" universe="1" />
-  <cell id="61" material="void" name="x = 0, y = 6, z = 0" region="1 -4 20 -23 3 -6" universe="1" />
-  <cell id="62" material="void" name="x = 1, y = 6, z = 0" region="4 -7 20 -23 3 -6" universe="1" />
-  <cell id="63" material="void" name="x = 2, y = 6, z = 0" region="7 -10 20 -23 3 -6" universe="1" />
-  <cell id="64" material="void" name="x = 3, y = 6, z = 0" region="10 -13 20 -23 3 -6" universe="1" />
-  <cell id="65" material="void" name="x = 4, y = 6, z = 0" region="13 -16 20 -23 3 -6" universe="1" />
-  <cell id="66" material="void" name="x = 5, y = 6, z = 0" region="16 -19 20 -23 3 -6" universe="1" />
-  <cell id="67" material="void" name="x = 6, y = 6, z = 0" region="19 -22 20 -23 3 -6" universe="1" />
-  <cell id="68" material="void" name="x = 7, y = 6, z = 0" region="22 -25 20 -23 3 -6" universe="1" />
-  <cell id="69" material="void" name="x = 8, y = 6, z = 0" region="25 -28 20 -23 3 -6" universe="1" />
-  <cell id="70" material="void" name="x = 9, y = 6, z = 0" region="28 -31 20 -23 3 -6" universe="1" />
-  <cell id="71" material="void" name="x = 0, y = 7, z = 0" region="1 -4 23 -26 3 -6" universe="1" />
-  <cell id="72" material="void" name="x = 1, y = 7, z = 0" region="4 -7 23 -26 3 -6" universe="1" />
-  <cell id="73" material="void" name="x = 2, y = 7, z = 0" region="7 -10 23 -26 3 -6" universe="1" />
-  <cell id="74" material="void" name="x = 3, y = 7, z = 0" region="10 -13 23 -26 3 -6" universe="1" />
-  <cell id="75" material="void" name="x = 4, y = 7, z = 0" region="13 -16 23 -26 3 -6" universe="1" />
-  <cell id="76" material="void" name="x = 5, y = 7, z = 0" region="16 -19 23 -26 3 -6" universe="1" />
-  <cell id="77" material="void" name="x = 6, y = 7, z = 0" region="19 -22 23 -26 3 -6" universe="1" />
-  <cell id="78" material="void" name="x = 7, y = 7, z = 0" region="22 -25 23 -26 3 -6" universe="1" />
-  <cell id="79" material="void" name="x = 8, y = 7, z = 0" region="25 -28 23 -26 3 -6" universe="1" />
-  <cell id="80" material="void" name="x = 9, y = 7, z = 0" region="28 -31 23 -26 3 -6" universe="1" />
-  <cell id="81" material="void" name="x = 0, y = 8, z = 0" region="1 -4 26 -29 3 -6" universe="1" />
-  <cell id="82" material="void" name="x = 1, y = 8, z = 0" region="4 -7 26 -29 3 -6" universe="1" />
-  <cell id="83" material="void" name="x = 2, y = 8, z = 0" region="7 -10 26 -29 3 -6" universe="1" />
-  <cell id="84" material="void" name="x = 3, y = 8, z = 0" region="10 -13 26 -29 3 -6" universe="1" />
-  <cell id="85" material="void" name="x = 4, y = 8, z = 0" region="13 -16 26 -29 3 -6" universe="1" />
-  <cell id="86" material="void" name="x = 5, y = 8, z = 0" region="16 -19 26 -29 3 -6" universe="1" />
-  <cell id="87" material="void" name="x = 6, y = 8, z = 0" region="19 -22 26 -29 3 -6" universe="1" />
-  <cell id="88" material="void" name="x = 7, y = 8, z = 0" region="22 -25 26 -29 3 -6" universe="1" />
-  <cell id="89" material="void" name="x = 8, y = 8, z = 0" region="25 -28 26 -29 3 -6" universe="1" />
-  <cell id="90" material="void" name="x = 9, y = 8, z = 0" region="28 -31 26 -29 3 -6" universe="1" />
-  <cell id="91" material="void" name="x = 0, y = 9, z = 0" region="1 -4 29 -32 3 -6" universe="1" />
-  <cell id="92" material="void" name="x = 1, y = 9, z = 0" region="4 -7 29 -32 3 -6" universe="1" />
-  <cell id="93" material="void" name="x = 2, y = 9, z = 0" region="7 -10 29 -32 3 -6" universe="1" />
-  <cell id="94" material="void" name="x = 3, y = 9, z = 0" region="10 -13 29 -32 3 -6" universe="1" />
-  <cell id="95" material="void" name="x = 4, y = 9, z = 0" region="13 -16 29 -32 3 -6" universe="1" />
-  <cell id="96" material="void" name="x = 5, y = 9, z = 0" region="16 -19 29 -32 3 -6" universe="1" />
-  <cell id="97" material="void" name="x = 6, y = 9, z = 0" region="19 -22 29 -32 3 -6" universe="1" />
-  <cell id="98" material="void" name="x = 7, y = 9, z = 0" region="22 -25 29 -32 3 -6" universe="1" />
-  <cell id="99" material="void" name="x = 8, y = 9, z = 0" region="25 -28 29 -32 3 -6" universe="1" />
-  <cell id="100" material="void" name="x = 9, y = 9, z = 0" region="28 -31 29 -32 3 -6" universe="1" />
-  <cell id="101" material="void" name="x = 0, y = 0, z = 1" region="1 -4 2 -5 6 -9" universe="1" />
-  <cell id="102" material="void" name="x = 1, y = 0, z = 1" region="4 -7 2 -5 6 -9" universe="1" />
-  <cell id="103" material="void" name="x = 2, y = 0, z = 1" region="7 -10 2 -5 6 -9" universe="1" />
-  <cell id="104" material="void" name="x = 3, y = 0, z = 1" region="10 -13 2 -5 6 -9" universe="1" />
-  <cell id="105" material="void" name="x = 4, y = 0, z = 1" region="13 -16 2 -5 6 -9" universe="1" />
-  <cell id="106" material="void" name="x = 5, y = 0, z = 1" region="16 -19 2 -5 6 -9" universe="1" />
-  <cell id="107" material="void" name="x = 6, y = 0, z = 1" region="19 -22 2 -5 6 -9" universe="1" />
-  <cell id="108" material="void" name="x = 7, y = 0, z = 1" region="22 -25 2 -5 6 -9" universe="1" />
-  <cell id="109" material="void" name="x = 8, y = 0, z = 1" region="25 -28 2 -5 6 -9" universe="1" />
-  <cell id="110" material="void" name="x = 9, y = 0, z = 1" region="28 -31 2 -5 6 -9" universe="1" />
-  <cell id="111" material="void" name="x = 0, y = 1, z = 1" region="1 -4 5 -8 6 -9" universe="1" />
-  <cell id="112" material="void" name="x = 1, y = 1, z = 1" region="4 -7 5 -8 6 -9" universe="1" />
-  <cell id="113" material="void" name="x = 2, y = 1, z = 1" region="7 -10 5 -8 6 -9" universe="1" />
-  <cell id="114" material="void" name="x = 3, y = 1, z = 1" region="10 -13 5 -8 6 -9" universe="1" />
-  <cell id="115" material="void" name="x = 4, y = 1, z = 1" region="13 -16 5 -8 6 -9" universe="1" />
-  <cell id="116" material="void" name="x = 5, y = 1, z = 1" region="16 -19 5 -8 6 -9" universe="1" />
-  <cell id="117" material="void" name="x = 6, y = 1, z = 1" region="19 -22 5 -8 6 -9" universe="1" />
-  <cell id="118" material="void" name="x = 7, y = 1, z = 1" region="22 -25 5 -8 6 -9" universe="1" />
-  <cell id="119" material="void" name="x = 8, y = 1, z = 1" region="25 -28 5 -8 6 -9" universe="1" />
-  <cell id="120" material="void" name="x = 9, y = 1, z = 1" region="28 -31 5 -8 6 -9" universe="1" />
-  <cell id="121" material="void" name="x = 0, y = 2, z = 1" region="1 -4 8 -11 6 -9" universe="1" />
-  <cell id="122" material="void" name="x = 1, y = 2, z = 1" region="4 -7 8 -11 6 -9" universe="1" />
-  <cell id="123" material="void" name="x = 2, y = 2, z = 1" region="7 -10 8 -11 6 -9" universe="1" />
-  <cell id="124" material="void" name="x = 3, y = 2, z = 1" region="10 -13 8 -11 6 -9" universe="1" />
-  <cell id="125" material="void" name="x = 4, y = 2, z = 1" region="13 -16 8 -11 6 -9" universe="1" />
-  <cell id="126" material="void" name="x = 5, y = 2, z = 1" region="16 -19 8 -11 6 -9" universe="1" />
-  <cell id="127" material="void" name="x = 6, y = 2, z = 1" region="19 -22 8 -11 6 -9" universe="1" />
-  <cell id="128" material="void" name="x = 7, y = 2, z = 1" region="22 -25 8 -11 6 -9" universe="1" />
-  <cell id="129" material="void" name="x = 8, y = 2, z = 1" region="25 -28 8 -11 6 -9" universe="1" />
-  <cell id="130" material="void" name="x = 9, y = 2, z = 1" region="28 -31 8 -11 6 -9" universe="1" />
-  <cell id="131" material="void" name="x = 0, y = 3, z = 1" region="1 -4 11 -14 6 -9" universe="1" />
-  <cell id="132" material="void" name="x = 1, y = 3, z = 1" region="4 -7 11 -14 6 -9" universe="1" />
-  <cell id="133" material="void" name="x = 2, y = 3, z = 1" region="7 -10 11 -14 6 -9" universe="1" />
-  <cell id="134" material="void" name="x = 3, y = 3, z = 1" region="10 -13 11 -14 6 -9" universe="1" />
-  <cell id="135" material="void" name="x = 4, y = 3, z = 1" region="13 -16 11 -14 6 -9" universe="1" />
-  <cell id="136" material="void" name="x = 5, y = 3, z = 1" region="16 -19 11 -14 6 -9" universe="1" />
-  <cell id="137" material="void" name="x = 6, y = 3, z = 1" region="19 -22 11 -14 6 -9" universe="1" />
-  <cell id="138" material="void" name="x = 7, y = 3, z = 1" region="22 -25 11 -14 6 -9" universe="1" />
-  <cell id="139" material="void" name="x = 8, y = 3, z = 1" region="25 -28 11 -14 6 -9" universe="1" />
-  <cell id="140" material="void" name="x = 9, y = 3, z = 1" region="28 -31 11 -14 6 -9" universe="1" />
-  <cell id="141" material="void" name="x = 0, y = 4, z = 1" region="1 -4 14 -17 6 -9" universe="1" />
-  <cell id="142" material="void" name="x = 1, y = 4, z = 1" region="4 -7 14 -17 6 -9" universe="1" />
-  <cell id="143" material="void" name="x = 2, y = 4, z = 1" region="7 -10 14 -17 6 -9" universe="1" />
-  <cell id="144" material="void" name="x = 3, y = 4, z = 1" region="10 -13 14 -17 6 -9" universe="1" />
-  <cell id="145" material="void" name="x = 4, y = 4, z = 1" region="13 -16 14 -17 6 -9" universe="1" />
-  <cell id="146" material="void" name="x = 5, y = 4, z = 1" region="16 -19 14 -17 6 -9" universe="1" />
-  <cell id="147" material="void" name="x = 6, y = 4, z = 1" region="19 -22 14 -17 6 -9" universe="1" />
-  <cell id="148" material="void" name="x = 7, y = 4, z = 1" region="22 -25 14 -17 6 -9" universe="1" />
-  <cell id="149" material="void" name="x = 8, y = 4, z = 1" region="25 -28 14 -17 6 -9" universe="1" />
-  <cell id="150" material="void" name="x = 9, y = 4, z = 1" region="28 -31 14 -17 6 -9" universe="1" />
-  <cell id="151" material="void" name="x = 0, y = 5, z = 1" region="1 -4 17 -20 6 -9" universe="1" />
-  <cell id="152" material="void" name="x = 1, y = 5, z = 1" region="4 -7 17 -20 6 -9" universe="1" />
-  <cell id="153" material="void" name="x = 2, y = 5, z = 1" region="7 -10 17 -20 6 -9" universe="1" />
-  <cell id="154" material="void" name="x = 3, y = 5, z = 1" region="10 -13 17 -20 6 -9" universe="1" />
-  <cell id="155" material="void" name="x = 4, y = 5, z = 1" region="13 -16 17 -20 6 -9" universe="1" />
-  <cell id="156" material="void" name="x = 5, y = 5, z = 1" region="16 -19 17 -20 6 -9" universe="1" />
-  <cell id="157" material="void" name="x = 6, y = 5, z = 1" region="19 -22 17 -20 6 -9" universe="1" />
-  <cell id="158" material="void" name="x = 7, y = 5, z = 1" region="22 -25 17 -20 6 -9" universe="1" />
-  <cell id="159" material="void" name="x = 8, y = 5, z = 1" region="25 -28 17 -20 6 -9" universe="1" />
-  <cell id="160" material="void" name="x = 9, y = 5, z = 1" region="28 -31 17 -20 6 -9" universe="1" />
-  <cell id="161" material="void" name="x = 0, y = 6, z = 1" region="1 -4 20 -23 6 -9" universe="1" />
-  <cell id="162" material="void" name="x = 1, y = 6, z = 1" region="4 -7 20 -23 6 -9" universe="1" />
-  <cell id="163" material="void" name="x = 2, y = 6, z = 1" region="7 -10 20 -23 6 -9" universe="1" />
-  <cell id="164" material="void" name="x = 3, y = 6, z = 1" region="10 -13 20 -23 6 -9" universe="1" />
-  <cell id="165" material="void" name="x = 4, y = 6, z = 1" region="13 -16 20 -23 6 -9" universe="1" />
-  <cell id="166" material="void" name="x = 5, y = 6, z = 1" region="16 -19 20 -23 6 -9" universe="1" />
-  <cell id="167" material="void" name="x = 6, y = 6, z = 1" region="19 -22 20 -23 6 -9" universe="1" />
-  <cell id="168" material="void" name="x = 7, y = 6, z = 1" region="22 -25 20 -23 6 -9" universe="1" />
-  <cell id="169" material="void" name="x = 8, y = 6, z = 1" region="25 -28 20 -23 6 -9" universe="1" />
-  <cell id="170" material="void" name="x = 9, y = 6, z = 1" region="28 -31 20 -23 6 -9" universe="1" />
-  <cell id="171" material="void" name="x = 0, y = 7, z = 1" region="1 -4 23 -26 6 -9" universe="1" />
-  <cell id="172" material="void" name="x = 1, y = 7, z = 1" region="4 -7 23 -26 6 -9" universe="1" />
-  <cell id="173" material="void" name="x = 2, y = 7, z = 1" region="7 -10 23 -26 6 -9" universe="1" />
-  <cell id="174" material="void" name="x = 3, y = 7, z = 1" region="10 -13 23 -26 6 -9" universe="1" />
-  <cell id="175" material="void" name="x = 4, y = 7, z = 1" region="13 -16 23 -26 6 -9" universe="1" />
-  <cell id="176" material="void" name="x = 5, y = 7, z = 1" region="16 -19 23 -26 6 -9" universe="1" />
-  <cell id="177" material="void" name="x = 6, y = 7, z = 1" region="19 -22 23 -26 6 -9" universe="1" />
-  <cell id="178" material="void" name="x = 7, y = 7, z = 1" region="22 -25 23 -26 6 -9" universe="1" />
-  <cell id="179" material="void" name="x = 8, y = 7, z = 1" region="25 -28 23 -26 6 -9" universe="1" />
-  <cell id="180" material="void" name="x = 9, y = 7, z = 1" region="28 -31 23 -26 6 -9" universe="1" />
-  <cell id="181" material="void" name="x = 0, y = 8, z = 1" region="1 -4 26 -29 6 -9" universe="1" />
-  <cell id="182" material="void" name="x = 1, y = 8, z = 1" region="4 -7 26 -29 6 -9" universe="1" />
-  <cell id="183" material="void" name="x = 2, y = 8, z = 1" region="7 -10 26 -29 6 -9" universe="1" />
-  <cell id="184" material="void" name="x = 3, y = 8, z = 1" region="10 -13 26 -29 6 -9" universe="1" />
-  <cell id="185" material="void" name="x = 4, y = 8, z = 1" region="13 -16 26 -29 6 -9" universe="1" />
-  <cell id="186" material="void" name="x = 5, y = 8, z = 1" region="16 -19 26 -29 6 -9" universe="1" />
-  <cell id="187" material="void" name="x = 6, y = 8, z = 1" region="19 -22 26 -29 6 -9" universe="1" />
-  <cell id="188" material="void" name="x = 7, y = 8, z = 1" region="22 -25 26 -29 6 -9" universe="1" />
-  <cell id="189" material="void" name="x = 8, y = 8, z = 1" region="25 -28 26 -29 6 -9" universe="1" />
-  <cell id="190" material="void" name="x = 9, y = 8, z = 1" region="28 -31 26 -29 6 -9" universe="1" />
-  <cell id="191" material="void" name="x = 0, y = 9, z = 1" region="1 -4 29 -32 6 -9" universe="1" />
-  <cell id="192" material="void" name="x = 1, y = 9, z = 1" region="4 -7 29 -32 6 -9" universe="1" />
-  <cell id="193" material="void" name="x = 2, y = 9, z = 1" region="7 -10 29 -32 6 -9" universe="1" />
-  <cell id="194" material="void" name="x = 3, y = 9, z = 1" region="10 -13 29 -32 6 -9" universe="1" />
-  <cell id="195" material="void" name="x = 4, y = 9, z = 1" region="13 -16 29 -32 6 -9" universe="1" />
-  <cell id="196" material="void" name="x = 5, y = 9, z = 1" region="16 -19 29 -32 6 -9" universe="1" />
-  <cell id="197" material="void" name="x = 6, y = 9, z = 1" region="19 -22 29 -32 6 -9" universe="1" />
-  <cell id="198" material="void" name="x = 7, y = 9, z = 1" region="22 -25 29 -32 6 -9" universe="1" />
-  <cell id="199" material="void" name="x = 8, y = 9, z = 1" region="25 -28 29 -32 6 -9" universe="1" />
-  <cell id="200" material="void" name="x = 9, y = 9, z = 1" region="28 -31 29 -32 6 -9" universe="1" />
-  <cell id="201" material="void" name="x = 0, y = 0, z = 2" region="1 -4 2 -5 9 -12" universe="1" />
-  <cell id="202" material="void" name="x = 1, y = 0, z = 2" region="4 -7 2 -5 9 -12" universe="1" />
-  <cell id="203" material="void" name="x = 2, y = 0, z = 2" region="7 -10 2 -5 9 -12" universe="1" />
-  <cell id="204" material="void" name="x = 3, y = 0, z = 2" region="10 -13 2 -5 9 -12" universe="1" />
-  <cell id="205" material="void" name="x = 4, y = 0, z = 2" region="13 -16 2 -5 9 -12" universe="1" />
-  <cell id="206" material="void" name="x = 5, y = 0, z = 2" region="16 -19 2 -5 9 -12" universe="1" />
-  <cell id="207" material="void" name="x = 6, y = 0, z = 2" region="19 -22 2 -5 9 -12" universe="1" />
-  <cell id="208" material="void" name="x = 7, y = 0, z = 2" region="22 -25 2 -5 9 -12" universe="1" />
-  <cell id="209" material="void" name="x = 8, y = 0, z = 2" region="25 -28 2 -5 9 -12" universe="1" />
-  <cell id="210" material="void" name="x = 9, y = 0, z = 2" region="28 -31 2 -5 9 -12" universe="1" />
-  <cell id="211" material="void" name="x = 0, y = 1, z = 2" region="1 -4 5 -8 9 -12" universe="1" />
-  <cell id="212" material="void" name="x = 1, y = 1, z = 2" region="4 -7 5 -8 9 -12" universe="1" />
-  <cell id="213" material="void" name="x = 2, y = 1, z = 2" region="7 -10 5 -8 9 -12" universe="1" />
-  <cell id="214" material="void" name="x = 3, y = 1, z = 2" region="10 -13 5 -8 9 -12" universe="1" />
-  <cell id="215" material="void" name="x = 4, y = 1, z = 2" region="13 -16 5 -8 9 -12" universe="1" />
-  <cell id="216" material="void" name="x = 5, y = 1, z = 2" region="16 -19 5 -8 9 -12" universe="1" />
-  <cell id="217" material="void" name="x = 6, y = 1, z = 2" region="19 -22 5 -8 9 -12" universe="1" />
-  <cell id="218" material="void" name="x = 7, y = 1, z = 2" region="22 -25 5 -8 9 -12" universe="1" />
-  <cell id="219" material="void" name="x = 8, y = 1, z = 2" region="25 -28 5 -8 9 -12" universe="1" />
-  <cell id="220" material="void" name="x = 9, y = 1, z = 2" region="28 -31 5 -8 9 -12" universe="1" />
-  <cell id="221" material="void" name="x = 0, y = 2, z = 2" region="1 -4 8 -11 9 -12" universe="1" />
-  <cell id="222" material="void" name="x = 1, y = 2, z = 2" region="4 -7 8 -11 9 -12" universe="1" />
-  <cell id="223" material="void" name="x = 2, y = 2, z = 2" region="7 -10 8 -11 9 -12" universe="1" />
-  <cell id="224" material="void" name="x = 3, y = 2, z = 2" region="10 -13 8 -11 9 -12" universe="1" />
-  <cell id="225" material="void" name="x = 4, y = 2, z = 2" region="13 -16 8 -11 9 -12" universe="1" />
-  <cell id="226" material="void" name="x = 5, y = 2, z = 2" region="16 -19 8 -11 9 -12" universe="1" />
-  <cell id="227" material="void" name="x = 6, y = 2, z = 2" region="19 -22 8 -11 9 -12" universe="1" />
-  <cell id="228" material="void" name="x = 7, y = 2, z = 2" region="22 -25 8 -11 9 -12" universe="1" />
-  <cell id="229" material="void" name="x = 8, y = 2, z = 2" region="25 -28 8 -11 9 -12" universe="1" />
-  <cell id="230" material="void" name="x = 9, y = 2, z = 2" region="28 -31 8 -11 9 -12" universe="1" />
-  <cell id="231" material="void" name="x = 0, y = 3, z = 2" region="1 -4 11 -14 9 -12" universe="1" />
-  <cell id="232" material="void" name="x = 1, y = 3, z = 2" region="4 -7 11 -14 9 -12" universe="1" />
-  <cell id="233" material="void" name="x = 2, y = 3, z = 2" region="7 -10 11 -14 9 -12" universe="1" />
-  <cell id="234" material="void" name="x = 3, y = 3, z = 2" region="10 -13 11 -14 9 -12" universe="1" />
-  <cell id="235" material="void" name="x = 4, y = 3, z = 2" region="13 -16 11 -14 9 -12" universe="1" />
-  <cell id="236" material="void" name="x = 5, y = 3, z = 2" region="16 -19 11 -14 9 -12" universe="1" />
-  <cell id="237" material="void" name="x = 6, y = 3, z = 2" region="19 -22 11 -14 9 -12" universe="1" />
-  <cell id="238" material="void" name="x = 7, y = 3, z = 2" region="22 -25 11 -14 9 -12" universe="1" />
-  <cell id="239" material="void" name="x = 8, y = 3, z = 2" region="25 -28 11 -14 9 -12" universe="1" />
-  <cell id="240" material="void" name="x = 9, y = 3, z = 2" region="28 -31 11 -14 9 -12" universe="1" />
-  <cell id="241" material="void" name="x = 0, y = 4, z = 2" region="1 -4 14 -17 9 -12" universe="1" />
-  <cell id="242" material="void" name="x = 1, y = 4, z = 2" region="4 -7 14 -17 9 -12" universe="1" />
-  <cell id="243" material="void" name="x = 2, y = 4, z = 2" region="7 -10 14 -17 9 -12" universe="1" />
-  <cell id="244" material="void" name="x = 3, y = 4, z = 2" region="10 -13 14 -17 9 -12" universe="1" />
-  <cell id="245" material="void" name="x = 4, y = 4, z = 2" region="13 -16 14 -17 9 -12" universe="1" />
-  <cell id="246" material="void" name="x = 5, y = 4, z = 2" region="16 -19 14 -17 9 -12" universe="1" />
-  <cell id="247" material="void" name="x = 6, y = 4, z = 2" region="19 -22 14 -17 9 -12" universe="1" />
-  <cell id="248" material="void" name="x = 7, y = 4, z = 2" region="22 -25 14 -17 9 -12" universe="1" />
-  <cell id="249" material="void" name="x = 8, y = 4, z = 2" region="25 -28 14 -17 9 -12" universe="1" />
-  <cell id="250" material="void" name="x = 9, y = 4, z = 2" region="28 -31 14 -17 9 -12" universe="1" />
-  <cell id="251" material="void" name="x = 0, y = 5, z = 2" region="1 -4 17 -20 9 -12" universe="1" />
-  <cell id="252" material="void" name="x = 1, y = 5, z = 2" region="4 -7 17 -20 9 -12" universe="1" />
-  <cell id="253" material="void" name="x = 2, y = 5, z = 2" region="7 -10 17 -20 9 -12" universe="1" />
-  <cell id="254" material="void" name="x = 3, y = 5, z = 2" region="10 -13 17 -20 9 -12" universe="1" />
-  <cell id="255" material="void" name="x = 4, y = 5, z = 2" region="13 -16 17 -20 9 -12" universe="1" />
-  <cell id="256" material="void" name="x = 5, y = 5, z = 2" region="16 -19 17 -20 9 -12" universe="1" />
-  <cell id="257" material="void" name="x = 6, y = 5, z = 2" region="19 -22 17 -20 9 -12" universe="1" />
-  <cell id="258" material="void" name="x = 7, y = 5, z = 2" region="22 -25 17 -20 9 -12" universe="1" />
-  <cell id="259" material="void" name="x = 8, y = 5, z = 2" region="25 -28 17 -20 9 -12" universe="1" />
-  <cell id="260" material="void" name="x = 9, y = 5, z = 2" region="28 -31 17 -20 9 -12" universe="1" />
-  <cell id="261" material="void" name="x = 0, y = 6, z = 2" region="1 -4 20 -23 9 -12" universe="1" />
-  <cell id="262" material="void" name="x = 1, y = 6, z = 2" region="4 -7 20 -23 9 -12" universe="1" />
-  <cell id="263" material="void" name="x = 2, y = 6, z = 2" region="7 -10 20 -23 9 -12" universe="1" />
-  <cell id="264" material="void" name="x = 3, y = 6, z = 2" region="10 -13 20 -23 9 -12" universe="1" />
-  <cell id="265" material="void" name="x = 4, y = 6, z = 2" region="13 -16 20 -23 9 -12" universe="1" />
-  <cell id="266" material="void" name="x = 5, y = 6, z = 2" region="16 -19 20 -23 9 -12" universe="1" />
-  <cell id="267" material="void" name="x = 6, y = 6, z = 2" region="19 -22 20 -23 9 -12" universe="1" />
-  <cell id="268" material="void" name="x = 7, y = 6, z = 2" region="22 -25 20 -23 9 -12" universe="1" />
-  <cell id="269" material="void" name="x = 8, y = 6, z = 2" region="25 -28 20 -23 9 -12" universe="1" />
-  <cell id="270" material="void" name="x = 9, y = 6, z = 2" region="28 -31 20 -23 9 -12" universe="1" />
-  <cell id="271" material="void" name="x = 0, y = 7, z = 2" region="1 -4 23 -26 9 -12" universe="1" />
-  <cell id="272" material="void" name="x = 1, y = 7, z = 2" region="4 -7 23 -26 9 -12" universe="1" />
-  <cell id="273" material="void" name="x = 2, y = 7, z = 2" region="7 -10 23 -26 9 -12" universe="1" />
-  <cell id="274" material="void" name="x = 3, y = 7, z = 2" region="10 -13 23 -26 9 -12" universe="1" />
-  <cell id="275" material="void" name="x = 4, y = 7, z = 2" region="13 -16 23 -26 9 -12" universe="1" />
-  <cell id="276" material="void" name="x = 5, y = 7, z = 2" region="16 -19 23 -26 9 -12" universe="1" />
-  <cell id="277" material="void" name="x = 6, y = 7, z = 2" region="19 -22 23 -26 9 -12" universe="1" />
-  <cell id="278" material="void" name="x = 7, y = 7, z = 2" region="22 -25 23 -26 9 -12" universe="1" />
-  <cell id="279" material="void" name="x = 8, y = 7, z = 2" region="25 -28 23 -26 9 -12" universe="1" />
-  <cell id="280" material="void" name="x = 9, y = 7, z = 2" region="28 -31 23 -26 9 -12" universe="1" />
-  <cell id="281" material="void" name="x = 0, y = 8, z = 2" region="1 -4 26 -29 9 -12" universe="1" />
-  <cell id="282" material="void" name="x = 1, y = 8, z = 2" region="4 -7 26 -29 9 -12" universe="1" />
-  <cell id="283" material="void" name="x = 2, y = 8, z = 2" region="7 -10 26 -29 9 -12" universe="1" />
-  <cell id="284" material="void" name="x = 3, y = 8, z = 2" region="10 -13 26 -29 9 -12" universe="1" />
-  <cell id="285" material="void" name="x = 4, y = 8, z = 2" region="13 -16 26 -29 9 -12" universe="1" />
-  <cell id="286" material="void" name="x = 5, y = 8, z = 2" region="16 -19 26 -29 9 -12" universe="1" />
-  <cell id="287" material="void" name="x = 6, y = 8, z = 2" region="19 -22 26 -29 9 -12" universe="1" />
-  <cell id="288" material="void" name="x = 7, y = 8, z = 2" region="22 -25 26 -29 9 -12" universe="1" />
-  <cell id="289" material="void" name="x = 8, y = 8, z = 2" region="25 -28 26 -29 9 -12" universe="1" />
-  <cell id="290" material="void" name="x = 9, y = 8, z = 2" region="28 -31 26 -29 9 -12" universe="1" />
-  <cell id="291" material="void" name="x = 0, y = 9, z = 2" region="1 -4 29 -32 9 -12" universe="1" />
-  <cell id="292" material="void" name="x = 1, y = 9, z = 2" region="4 -7 29 -32 9 -12" universe="1" />
-  <cell id="293" material="void" name="x = 2, y = 9, z = 2" region="7 -10 29 -32 9 -12" universe="1" />
-  <cell id="294" material="void" name="x = 3, y = 9, z = 2" region="10 -13 29 -32 9 -12" universe="1" />
-  <cell id="295" material="void" name="x = 4, y = 9, z = 2" region="13 -16 29 -32 9 -12" universe="1" />
-  <cell id="296" material="void" name="x = 5, y = 9, z = 2" region="16 -19 29 -32 9 -12" universe="1" />
-  <cell id="297" material="void" name="x = 6, y = 9, z = 2" region="19 -22 29 -32 9 -12" universe="1" />
-  <cell id="298" material="void" name="x = 7, y = 9, z = 2" region="22 -25 29 -32 9 -12" universe="1" />
-  <cell id="299" material="void" name="x = 8, y = 9, z = 2" region="25 -28 29 -32 9 -12" universe="1" />
-  <cell id="300" material="void" name="x = 9, y = 9, z = 2" region="28 -31 29 -32 9 -12" universe="1" />
-  <cell id="301" material="void" name="x = 0, y = 0, z = 3" region="1 -4 2 -5 12 -15" universe="1" />
-  <cell id="302" material="void" name="x = 1, y = 0, z = 3" region="4 -7 2 -5 12 -15" universe="1" />
-  <cell id="303" material="void" name="x = 2, y = 0, z = 3" region="7 -10 2 -5 12 -15" universe="1" />
-  <cell id="304" material="void" name="x = 3, y = 0, z = 3" region="10 -13 2 -5 12 -15" universe="1" />
-  <cell id="305" material="void" name="x = 4, y = 0, z = 3" region="13 -16 2 -5 12 -15" universe="1" />
-  <cell id="306" material="void" name="x = 5, y = 0, z = 3" region="16 -19 2 -5 12 -15" universe="1" />
-  <cell id="307" material="void" name="x = 6, y = 0, z = 3" region="19 -22 2 -5 12 -15" universe="1" />
-  <cell id="308" material="void" name="x = 7, y = 0, z = 3" region="22 -25 2 -5 12 -15" universe="1" />
-  <cell id="309" material="void" name="x = 8, y = 0, z = 3" region="25 -28 2 -5 12 -15" universe="1" />
-  <cell id="310" material="void" name="x = 9, y = 0, z = 3" region="28 -31 2 -5 12 -15" universe="1" />
-  <cell id="311" material="void" name="x = 0, y = 1, z = 3" region="1 -4 5 -8 12 -15" universe="1" />
-  <cell id="312" material="void" name="x = 1, y = 1, z = 3" region="4 -7 5 -8 12 -15" universe="1" />
-  <cell id="313" material="void" name="x = 2, y = 1, z = 3" region="7 -10 5 -8 12 -15" universe="1" />
-  <cell id="314" material="void" name="x = 3, y = 1, z = 3" region="10 -13 5 -8 12 -15" universe="1" />
-  <cell id="315" material="void" name="x = 4, y = 1, z = 3" region="13 -16 5 -8 12 -15" universe="1" />
-  <cell id="316" material="void" name="x = 5, y = 1, z = 3" region="16 -19 5 -8 12 -15" universe="1" />
-  <cell id="317" material="void" name="x = 6, y = 1, z = 3" region="19 -22 5 -8 12 -15" universe="1" />
-  <cell id="318" material="void" name="x = 7, y = 1, z = 3" region="22 -25 5 -8 12 -15" universe="1" />
-  <cell id="319" material="void" name="x = 8, y = 1, z = 3" region="25 -28 5 -8 12 -15" universe="1" />
-  <cell id="320" material="void" name="x = 9, y = 1, z = 3" region="28 -31 5 -8 12 -15" universe="1" />
-  <cell id="321" material="void" name="x = 0, y = 2, z = 3" region="1 -4 8 -11 12 -15" universe="1" />
-  <cell id="322" material="void" name="x = 1, y = 2, z = 3" region="4 -7 8 -11 12 -15" universe="1" />
-  <cell id="323" material="void" name="x = 2, y = 2, z = 3" region="7 -10 8 -11 12 -15" universe="1" />
-  <cell id="324" material="void" name="x = 3, y = 2, z = 3" region="10 -13 8 -11 12 -15" universe="1" />
-  <cell id="325" material="void" name="x = 4, y = 2, z = 3" region="13 -16 8 -11 12 -15" universe="1" />
-  <cell id="326" material="void" name="x = 5, y = 2, z = 3" region="16 -19 8 -11 12 -15" universe="1" />
-  <cell id="327" material="void" name="x = 6, y = 2, z = 3" region="19 -22 8 -11 12 -15" universe="1" />
-  <cell id="328" material="void" name="x = 7, y = 2, z = 3" region="22 -25 8 -11 12 -15" universe="1" />
-  <cell id="329" material="void" name="x = 8, y = 2, z = 3" region="25 -28 8 -11 12 -15" universe="1" />
-  <cell id="330" material="void" name="x = 9, y = 2, z = 3" region="28 -31 8 -11 12 -15" universe="1" />
-  <cell id="331" material="void" name="x = 0, y = 3, z = 3" region="1 -4 11 -14 12 -15" universe="1" />
-  <cell id="332" material="void" name="x = 1, y = 3, z = 3" region="4 -7 11 -14 12 -15" universe="1" />
-  <cell id="333" material="void" name="x = 2, y = 3, z = 3" region="7 -10 11 -14 12 -15" universe="1" />
-  <cell id="334" material="void" name="x = 3, y = 3, z = 3" region="10 -13 11 -14 12 -15" universe="1" />
-  <cell id="335" material="void" name="x = 4, y = 3, z = 3" region="13 -16 11 -14 12 -15" universe="1" />
-  <cell id="336" material="void" name="x = 5, y = 3, z = 3" region="16 -19 11 -14 12 -15" universe="1" />
-  <cell id="337" material="void" name="x = 6, y = 3, z = 3" region="19 -22 11 -14 12 -15" universe="1" />
-  <cell id="338" material="void" name="x = 7, y = 3, z = 3" region="22 -25 11 -14 12 -15" universe="1" />
-  <cell id="339" material="void" name="x = 8, y = 3, z = 3" region="25 -28 11 -14 12 -15" universe="1" />
-  <cell id="340" material="void" name="x = 9, y = 3, z = 3" region="28 -31 11 -14 12 -15" universe="1" />
-  <cell id="341" material="void" name="x = 0, y = 4, z = 3" region="1 -4 14 -17 12 -15" universe="1" />
-  <cell id="342" material="void" name="x = 1, y = 4, z = 3" region="4 -7 14 -17 12 -15" universe="1" />
-  <cell id="343" material="void" name="x = 2, y = 4, z = 3" region="7 -10 14 -17 12 -15" universe="1" />
-  <cell id="344" material="void" name="x = 3, y = 4, z = 3" region="10 -13 14 -17 12 -15" universe="1" />
-  <cell id="345" material="void" name="x = 4, y = 4, z = 3" region="13 -16 14 -17 12 -15" universe="1" />
-  <cell id="346" material="void" name="x = 5, y = 4, z = 3" region="16 -19 14 -17 12 -15" universe="1" />
-  <cell id="347" material="void" name="x = 6, y = 4, z = 3" region="19 -22 14 -17 12 -15" universe="1" />
-  <cell id="348" material="void" name="x = 7, y = 4, z = 3" region="22 -25 14 -17 12 -15" universe="1" />
-  <cell id="349" material="void" name="x = 8, y = 4, z = 3" region="25 -28 14 -17 12 -15" universe="1" />
-  <cell id="350" material="void" name="x = 9, y = 4, z = 3" region="28 -31 14 -17 12 -15" universe="1" />
-  <cell id="351" material="void" name="x = 0, y = 5, z = 3" region="1 -4 17 -20 12 -15" universe="1" />
-  <cell id="352" material="void" name="x = 1, y = 5, z = 3" region="4 -7 17 -20 12 -15" universe="1" />
-  <cell id="353" material="void" name="x = 2, y = 5, z = 3" region="7 -10 17 -20 12 -15" universe="1" />
-  <cell id="354" material="void" name="x = 3, y = 5, z = 3" region="10 -13 17 -20 12 -15" universe="1" />
-  <cell id="355" material="void" name="x = 4, y = 5, z = 3" region="13 -16 17 -20 12 -15" universe="1" />
-  <cell id="356" material="void" name="x = 5, y = 5, z = 3" region="16 -19 17 -20 12 -15" universe="1" />
-  <cell id="357" material="void" name="x = 6, y = 5, z = 3" region="19 -22 17 -20 12 -15" universe="1" />
-  <cell id="358" material="void" name="x = 7, y = 5, z = 3" region="22 -25 17 -20 12 -15" universe="1" />
-  <cell id="359" material="void" name="x = 8, y = 5, z = 3" region="25 -28 17 -20 12 -15" universe="1" />
-  <cell id="360" material="void" name="x = 9, y = 5, z = 3" region="28 -31 17 -20 12 -15" universe="1" />
-  <cell id="361" material="void" name="x = 0, y = 6, z = 3" region="1 -4 20 -23 12 -15" universe="1" />
-  <cell id="362" material="void" name="x = 1, y = 6, z = 3" region="4 -7 20 -23 12 -15" universe="1" />
-  <cell id="363" material="void" name="x = 2, y = 6, z = 3" region="7 -10 20 -23 12 -15" universe="1" />
-  <cell id="364" material="void" name="x = 3, y = 6, z = 3" region="10 -13 20 -23 12 -15" universe="1" />
-  <cell id="365" material="void" name="x = 4, y = 6, z = 3" region="13 -16 20 -23 12 -15" universe="1" />
-  <cell id="366" material="void" name="x = 5, y = 6, z = 3" region="16 -19 20 -23 12 -15" universe="1" />
-  <cell id="367" material="void" name="x = 6, y = 6, z = 3" region="19 -22 20 -23 12 -15" universe="1" />
-  <cell id="368" material="void" name="x = 7, y = 6, z = 3" region="22 -25 20 -23 12 -15" universe="1" />
-  <cell id="369" material="void" name="x = 8, y = 6, z = 3" region="25 -28 20 -23 12 -15" universe="1" />
-  <cell id="370" material="void" name="x = 9, y = 6, z = 3" region="28 -31 20 -23 12 -15" universe="1" />
-  <cell id="371" material="void" name="x = 0, y = 7, z = 3" region="1 -4 23 -26 12 -15" universe="1" />
-  <cell id="372" material="void" name="x = 1, y = 7, z = 3" region="4 -7 23 -26 12 -15" universe="1" />
-  <cell id="373" material="void" name="x = 2, y = 7, z = 3" region="7 -10 23 -26 12 -15" universe="1" />
-  <cell id="374" material="void" name="x = 3, y = 7, z = 3" region="10 -13 23 -26 12 -15" universe="1" />
-  <cell id="375" material="void" name="x = 4, y = 7, z = 3" region="13 -16 23 -26 12 -15" universe="1" />
-  <cell id="376" material="void" name="x = 5, y = 7, z = 3" region="16 -19 23 -26 12 -15" universe="1" />
-  <cell id="377" material="void" name="x = 6, y = 7, z = 3" region="19 -22 23 -26 12 -15" universe="1" />
-  <cell id="378" material="void" name="x = 7, y = 7, z = 3" region="22 -25 23 -26 12 -15" universe="1" />
-  <cell id="379" material="void" name="x = 8, y = 7, z = 3" region="25 -28 23 -26 12 -15" universe="1" />
-  <cell id="380" material="void" name="x = 9, y = 7, z = 3" region="28 -31 23 -26 12 -15" universe="1" />
-  <cell id="381" material="void" name="x = 0, y = 8, z = 3" region="1 -4 26 -29 12 -15" universe="1" />
-  <cell id="382" material="void" name="x = 1, y = 8, z = 3" region="4 -7 26 -29 12 -15" universe="1" />
-  <cell id="383" material="void" name="x = 2, y = 8, z = 3" region="7 -10 26 -29 12 -15" universe="1" />
-  <cell id="384" material="void" name="x = 3, y = 8, z = 3" region="10 -13 26 -29 12 -15" universe="1" />
-  <cell id="385" material="void" name="x = 4, y = 8, z = 3" region="13 -16 26 -29 12 -15" universe="1" />
-  <cell id="386" material="void" name="x = 5, y = 8, z = 3" region="16 -19 26 -29 12 -15" universe="1" />
-  <cell id="387" material="void" name="x = 6, y = 8, z = 3" region="19 -22 26 -29 12 -15" universe="1" />
-  <cell id="388" material="void" name="x = 7, y = 8, z = 3" region="22 -25 26 -29 12 -15" universe="1" />
-  <cell id="389" material="void" name="x = 8, y = 8, z = 3" region="25 -28 26 -29 12 -15" universe="1" />
-  <cell id="390" material="void" name="x = 9, y = 8, z = 3" region="28 -31 26 -29 12 -15" universe="1" />
-  <cell id="391" material="void" name="x = 0, y = 9, z = 3" region="1 -4 29 -32 12 -15" universe="1" />
-  <cell id="392" material="void" name="x = 1, y = 9, z = 3" region="4 -7 29 -32 12 -15" universe="1" />
-  <cell id="393" material="void" name="x = 2, y = 9, z = 3" region="7 -10 29 -32 12 -15" universe="1" />
-  <cell id="394" material="void" name="x = 3, y = 9, z = 3" region="10 -13 29 -32 12 -15" universe="1" />
-  <cell id="395" material="void" name="x = 4, y = 9, z = 3" region="13 -16 29 -32 12 -15" universe="1" />
-  <cell id="396" material="void" name="x = 5, y = 9, z = 3" region="16 -19 29 -32 12 -15" universe="1" />
-  <cell id="397" material="void" name="x = 6, y = 9, z = 3" region="19 -22 29 -32 12 -15" universe="1" />
-  <cell id="398" material="void" name="x = 7, y = 9, z = 3" region="22 -25 29 -32 12 -15" universe="1" />
-  <cell id="399" material="void" name="x = 8, y = 9, z = 3" region="25 -28 29 -32 12 -15" universe="1" />
-  <cell id="400" material="void" name="x = 9, y = 9, z = 3" region="28 -31 29 -32 12 -15" universe="1" />
-  <cell id="401" material="void" name="x = 0, y = 0, z = 4" region="1 -4 2 -5 15 -18" universe="1" />
-  <cell id="402" material="void" name="x = 1, y = 0, z = 4" region="4 -7 2 -5 15 -18" universe="1" />
-  <cell id="403" material="void" name="x = 2, y = 0, z = 4" region="7 -10 2 -5 15 -18" universe="1" />
-  <cell id="404" material="void" name="x = 3, y = 0, z = 4" region="10 -13 2 -5 15 -18" universe="1" />
-  <cell id="405" material="void" name="x = 4, y = 0, z = 4" region="13 -16 2 -5 15 -18" universe="1" />
-  <cell id="406" material="void" name="x = 5, y = 0, z = 4" region="16 -19 2 -5 15 -18" universe="1" />
-  <cell id="407" material="void" name="x = 6, y = 0, z = 4" region="19 -22 2 -5 15 -18" universe="1" />
-  <cell id="408" material="void" name="x = 7, y = 0, z = 4" region="22 -25 2 -5 15 -18" universe="1" />
-  <cell id="409" material="void" name="x = 8, y = 0, z = 4" region="25 -28 2 -5 15 -18" universe="1" />
-  <cell id="410" material="void" name="x = 9, y = 0, z = 4" region="28 -31 2 -5 15 -18" universe="1" />
-  <cell id="411" material="void" name="x = 0, y = 1, z = 4" region="1 -4 5 -8 15 -18" universe="1" />
-  <cell id="412" material="void" name="x = 1, y = 1, z = 4" region="4 -7 5 -8 15 -18" universe="1" />
-  <cell id="413" material="void" name="x = 2, y = 1, z = 4" region="7 -10 5 -8 15 -18" universe="1" />
-  <cell id="414" material="void" name="x = 3, y = 1, z = 4" region="10 -13 5 -8 15 -18" universe="1" />
-  <cell id="415" material="void" name="x = 4, y = 1, z = 4" region="13 -16 5 -8 15 -18" universe="1" />
-  <cell id="416" material="void" name="x = 5, y = 1, z = 4" region="16 -19 5 -8 15 -18" universe="1" />
-  <cell id="417" material="void" name="x = 6, y = 1, z = 4" region="19 -22 5 -8 15 -18" universe="1" />
-  <cell id="418" material="void" name="x = 7, y = 1, z = 4" region="22 -25 5 -8 15 -18" universe="1" />
-  <cell id="419" material="void" name="x = 8, y = 1, z = 4" region="25 -28 5 -8 15 -18" universe="1" />
-  <cell id="420" material="void" name="x = 9, y = 1, z = 4" region="28 -31 5 -8 15 -18" universe="1" />
-  <cell id="421" material="void" name="x = 0, y = 2, z = 4" region="1 -4 8 -11 15 -18" universe="1" />
-  <cell id="422" material="void" name="x = 1, y = 2, z = 4" region="4 -7 8 -11 15 -18" universe="1" />
-  <cell id="423" material="void" name="x = 2, y = 2, z = 4" region="7 -10 8 -11 15 -18" universe="1" />
-  <cell id="424" material="void" name="x = 3, y = 2, z = 4" region="10 -13 8 -11 15 -18" universe="1" />
-  <cell id="425" material="void" name="x = 4, y = 2, z = 4" region="13 -16 8 -11 15 -18" universe="1" />
-  <cell id="426" material="void" name="x = 5, y = 2, z = 4" region="16 -19 8 -11 15 -18" universe="1" />
-  <cell id="427" material="void" name="x = 6, y = 2, z = 4" region="19 -22 8 -11 15 -18" universe="1" />
-  <cell id="428" material="void" name="x = 7, y = 2, z = 4" region="22 -25 8 -11 15 -18" universe="1" />
-  <cell id="429" material="void" name="x = 8, y = 2, z = 4" region="25 -28 8 -11 15 -18" universe="1" />
-  <cell id="430" material="void" name="x = 9, y = 2, z = 4" region="28 -31 8 -11 15 -18" universe="1" />
-  <cell id="431" material="void" name="x = 0, y = 3, z = 4" region="1 -4 11 -14 15 -18" universe="1" />
-  <cell id="432" material="void" name="x = 1, y = 3, z = 4" region="4 -7 11 -14 15 -18" universe="1" />
-  <cell id="433" material="void" name="x = 2, y = 3, z = 4" region="7 -10 11 -14 15 -18" universe="1" />
-  <cell id="434" material="void" name="x = 3, y = 3, z = 4" region="10 -13 11 -14 15 -18" universe="1" />
-  <cell id="435" material="void" name="x = 4, y = 3, z = 4" region="13 -16 11 -14 15 -18" universe="1" />
-  <cell id="436" material="void" name="x = 5, y = 3, z = 4" region="16 -19 11 -14 15 -18" universe="1" />
-  <cell id="437" material="void" name="x = 6, y = 3, z = 4" region="19 -22 11 -14 15 -18" universe="1" />
-  <cell id="438" material="void" name="x = 7, y = 3, z = 4" region="22 -25 11 -14 15 -18" universe="1" />
-  <cell id="439" material="void" name="x = 8, y = 3, z = 4" region="25 -28 11 -14 15 -18" universe="1" />
-  <cell id="440" material="void" name="x = 9, y = 3, z = 4" region="28 -31 11 -14 15 -18" universe="1" />
-  <cell id="441" material="void" name="x = 0, y = 4, z = 4" region="1 -4 14 -17 15 -18" universe="1" />
-  <cell id="442" material="void" name="x = 1, y = 4, z = 4" region="4 -7 14 -17 15 -18" universe="1" />
-  <cell id="443" material="void" name="x = 2, y = 4, z = 4" region="7 -10 14 -17 15 -18" universe="1" />
-  <cell id="444" material="void" name="x = 3, y = 4, z = 4" region="10 -13 14 -17 15 -18" universe="1" />
-  <cell id="445" material="void" name="x = 4, y = 4, z = 4" region="13 -16 14 -17 15 -18" universe="1" />
-  <cell id="446" material="void" name="x = 5, y = 4, z = 4" region="16 -19 14 -17 15 -18" universe="1" />
-  <cell id="447" material="void" name="x = 6, y = 4, z = 4" region="19 -22 14 -17 15 -18" universe="1" />
-  <cell id="448" material="void" name="x = 7, y = 4, z = 4" region="22 -25 14 -17 15 -18" universe="1" />
-  <cell id="449" material="void" name="x = 8, y = 4, z = 4" region="25 -28 14 -17 15 -18" universe="1" />
-  <cell id="450" material="void" name="x = 9, y = 4, z = 4" region="28 -31 14 -17 15 -18" universe="1" />
-  <cell id="451" material="void" name="x = 0, y = 5, z = 4" region="1 -4 17 -20 15 -18" universe="1" />
-  <cell id="452" material="void" name="x = 1, y = 5, z = 4" region="4 -7 17 -20 15 -18" universe="1" />
-  <cell id="453" material="void" name="x = 2, y = 5, z = 4" region="7 -10 17 -20 15 -18" universe="1" />
-  <cell id="454" material="void" name="x = 3, y = 5, z = 4" region="10 -13 17 -20 15 -18" universe="1" />
-  <cell id="455" material="void" name="x = 4, y = 5, z = 4" region="13 -16 17 -20 15 -18" universe="1" />
-  <cell id="456" material="void" name="x = 5, y = 5, z = 4" region="16 -19 17 -20 15 -18" universe="1" />
-  <cell id="457" material="void" name="x = 6, y = 5, z = 4" region="19 -22 17 -20 15 -18" universe="1" />
-  <cell id="458" material="void" name="x = 7, y = 5, z = 4" region="22 -25 17 -20 15 -18" universe="1" />
-  <cell id="459" material="void" name="x = 8, y = 5, z = 4" region="25 -28 17 -20 15 -18" universe="1" />
-  <cell id="460" material="void" name="x = 9, y = 5, z = 4" region="28 -31 17 -20 15 -18" universe="1" />
-  <cell id="461" material="void" name="x = 0, y = 6, z = 4" region="1 -4 20 -23 15 -18" universe="1" />
-  <cell id="462" material="void" name="x = 1, y = 6, z = 4" region="4 -7 20 -23 15 -18" universe="1" />
-  <cell id="463" material="void" name="x = 2, y = 6, z = 4" region="7 -10 20 -23 15 -18" universe="1" />
-  <cell id="464" material="void" name="x = 3, y = 6, z = 4" region="10 -13 20 -23 15 -18" universe="1" />
-  <cell id="465" material="void" name="x = 4, y = 6, z = 4" region="13 -16 20 -23 15 -18" universe="1" />
-  <cell id="466" material="void" name="x = 5, y = 6, z = 4" region="16 -19 20 -23 15 -18" universe="1" />
-  <cell id="467" material="void" name="x = 6, y = 6, z = 4" region="19 -22 20 -23 15 -18" universe="1" />
-  <cell id="468" material="void" name="x = 7, y = 6, z = 4" region="22 -25 20 -23 15 -18" universe="1" />
-  <cell id="469" material="void" name="x = 8, y = 6, z = 4" region="25 -28 20 -23 15 -18" universe="1" />
-  <cell id="470" material="void" name="x = 9, y = 6, z = 4" region="28 -31 20 -23 15 -18" universe="1" />
-  <cell id="471" material="void" name="x = 0, y = 7, z = 4" region="1 -4 23 -26 15 -18" universe="1" />
-  <cell id="472" material="void" name="x = 1, y = 7, z = 4" region="4 -7 23 -26 15 -18" universe="1" />
-  <cell id="473" material="void" name="x = 2, y = 7, z = 4" region="7 -10 23 -26 15 -18" universe="1" />
-  <cell id="474" material="void" name="x = 3, y = 7, z = 4" region="10 -13 23 -26 15 -18" universe="1" />
-  <cell id="475" material="void" name="x = 4, y = 7, z = 4" region="13 -16 23 -26 15 -18" universe="1" />
-  <cell id="476" material="void" name="x = 5, y = 7, z = 4" region="16 -19 23 -26 15 -18" universe="1" />
-  <cell id="477" material="void" name="x = 6, y = 7, z = 4" region="19 -22 23 -26 15 -18" universe="1" />
-  <cell id="478" material="void" name="x = 7, y = 7, z = 4" region="22 -25 23 -26 15 -18" universe="1" />
-  <cell id="479" material="void" name="x = 8, y = 7, z = 4" region="25 -28 23 -26 15 -18" universe="1" />
-  <cell id="480" material="void" name="x = 9, y = 7, z = 4" region="28 -31 23 -26 15 -18" universe="1" />
-  <cell id="481" material="void" name="x = 0, y = 8, z = 4" region="1 -4 26 -29 15 -18" universe="1" />
-  <cell id="482" material="void" name="x = 1, y = 8, z = 4" region="4 -7 26 -29 15 -18" universe="1" />
-  <cell id="483" material="void" name="x = 2, y = 8, z = 4" region="7 -10 26 -29 15 -18" universe="1" />
-  <cell id="484" material="void" name="x = 3, y = 8, z = 4" region="10 -13 26 -29 15 -18" universe="1" />
-  <cell id="485" material="void" name="x = 4, y = 8, z = 4" region="13 -16 26 -29 15 -18" universe="1" />
-  <cell id="486" material="void" name="x = 5, y = 8, z = 4" region="16 -19 26 -29 15 -18" universe="1" />
-  <cell id="487" material="void" name="x = 6, y = 8, z = 4" region="19 -22 26 -29 15 -18" universe="1" />
-  <cell id="488" material="void" name="x = 7, y = 8, z = 4" region="22 -25 26 -29 15 -18" universe="1" />
-  <cell id="489" material="void" name="x = 8, y = 8, z = 4" region="25 -28 26 -29 15 -18" universe="1" />
-  <cell id="490" material="void" name="x = 9, y = 8, z = 4" region="28 -31 26 -29 15 -18" universe="1" />
-  <cell id="491" material="void" name="x = 0, y = 9, z = 4" region="1 -4 29 -32 15 -18" universe="1" />
-  <cell id="492" material="void" name="x = 1, y = 9, z = 4" region="4 -7 29 -32 15 -18" universe="1" />
-  <cell id="493" material="void" name="x = 2, y = 9, z = 4" region="7 -10 29 -32 15 -18" universe="1" />
-  <cell id="494" material="void" name="x = 3, y = 9, z = 4" region="10 -13 29 -32 15 -18" universe="1" />
-  <cell id="495" material="void" name="x = 4, y = 9, z = 4" region="13 -16 29 -32 15 -18" universe="1" />
-  <cell id="496" material="void" name="x = 5, y = 9, z = 4" region="16 -19 29 -32 15 -18" universe="1" />
-  <cell id="497" material="void" name="x = 6, y = 9, z = 4" region="19 -22 29 -32 15 -18" universe="1" />
-  <cell id="498" material="void" name="x = 7, y = 9, z = 4" region="22 -25 29 -32 15 -18" universe="1" />
-  <cell id="499" material="void" name="x = 8, y = 9, z = 4" region="25 -28 29 -32 15 -18" universe="1" />
-  <cell id="500" material="void" name="x = 9, y = 9, z = 4" region="28 -31 29 -32 15 -18" universe="1" />
-  <cell id="501" material="void" name="x = 0, y = 0, z = 5" region="1 -4 2 -5 18 -21" universe="1" />
-  <cell id="502" material="void" name="x = 1, y = 0, z = 5" region="4 -7 2 -5 18 -21" universe="1" />
-  <cell id="503" material="void" name="x = 2, y = 0, z = 5" region="7 -10 2 -5 18 -21" universe="1" />
-  <cell id="504" material="void" name="x = 3, y = 0, z = 5" region="10 -13 2 -5 18 -21" universe="1" />
-  <cell id="505" material="void" name="x = 4, y = 0, z = 5" region="13 -16 2 -5 18 -21" universe="1" />
-  <cell id="506" material="void" name="x = 5, y = 0, z = 5" region="16 -19 2 -5 18 -21" universe="1" />
-  <cell id="507" material="void" name="x = 6, y = 0, z = 5" region="19 -22 2 -5 18 -21" universe="1" />
-  <cell id="508" material="void" name="x = 7, y = 0, z = 5" region="22 -25 2 -5 18 -21" universe="1" />
-  <cell id="509" material="void" name="x = 8, y = 0, z = 5" region="25 -28 2 -5 18 -21" universe="1" />
-  <cell id="510" material="void" name="x = 9, y = 0, z = 5" region="28 -31 2 -5 18 -21" universe="1" />
-  <cell id="511" material="void" name="x = 0, y = 1, z = 5" region="1 -4 5 -8 18 -21" universe="1" />
-  <cell id="512" material="void" name="x = 1, y = 1, z = 5" region="4 -7 5 -8 18 -21" universe="1" />
-  <cell id="513" material="void" name="x = 2, y = 1, z = 5" region="7 -10 5 -8 18 -21" universe="1" />
-  <cell id="514" material="void" name="x = 3, y = 1, z = 5" region="10 -13 5 -8 18 -21" universe="1" />
-  <cell id="515" material="void" name="x = 4, y = 1, z = 5" region="13 -16 5 -8 18 -21" universe="1" />
-  <cell id="516" material="void" name="x = 5, y = 1, z = 5" region="16 -19 5 -8 18 -21" universe="1" />
-  <cell id="517" material="void" name="x = 6, y = 1, z = 5" region="19 -22 5 -8 18 -21" universe="1" />
-  <cell id="518" material="void" name="x = 7, y = 1, z = 5" region="22 -25 5 -8 18 -21" universe="1" />
-  <cell id="519" material="void" name="x = 8, y = 1, z = 5" region="25 -28 5 -8 18 -21" universe="1" />
-  <cell id="520" material="void" name="x = 9, y = 1, z = 5" region="28 -31 5 -8 18 -21" universe="1" />
-  <cell id="521" material="void" name="x = 0, y = 2, z = 5" region="1 -4 8 -11 18 -21" universe="1" />
-  <cell id="522" material="void" name="x = 1, y = 2, z = 5" region="4 -7 8 -11 18 -21" universe="1" />
-  <cell id="523" material="void" name="x = 2, y = 2, z = 5" region="7 -10 8 -11 18 -21" universe="1" />
-  <cell id="524" material="void" name="x = 3, y = 2, z = 5" region="10 -13 8 -11 18 -21" universe="1" />
-  <cell id="525" material="void" name="x = 4, y = 2, z = 5" region="13 -16 8 -11 18 -21" universe="1" />
-  <cell id="526" material="void" name="x = 5, y = 2, z = 5" region="16 -19 8 -11 18 -21" universe="1" />
-  <cell id="527" material="void" name="x = 6, y = 2, z = 5" region="19 -22 8 -11 18 -21" universe="1" />
-  <cell id="528" material="void" name="x = 7, y = 2, z = 5" region="22 -25 8 -11 18 -21" universe="1" />
-  <cell id="529" material="void" name="x = 8, y = 2, z = 5" region="25 -28 8 -11 18 -21" universe="1" />
-  <cell id="530" material="void" name="x = 9, y = 2, z = 5" region="28 -31 8 -11 18 -21" universe="1" />
-  <cell id="531" material="void" name="x = 0, y = 3, z = 5" region="1 -4 11 -14 18 -21" universe="1" />
-  <cell id="532" material="void" name="x = 1, y = 3, z = 5" region="4 -7 11 -14 18 -21" universe="1" />
-  <cell id="533" material="void" name="x = 2, y = 3, z = 5" region="7 -10 11 -14 18 -21" universe="1" />
-  <cell id="534" material="void" name="x = 3, y = 3, z = 5" region="10 -13 11 -14 18 -21" universe="1" />
-  <cell id="535" material="void" name="x = 4, y = 3, z = 5" region="13 -16 11 -14 18 -21" universe="1" />
-  <cell id="536" material="void" name="x = 5, y = 3, z = 5" region="16 -19 11 -14 18 -21" universe="1" />
-  <cell id="537" material="void" name="x = 6, y = 3, z = 5" region="19 -22 11 -14 18 -21" universe="1" />
-  <cell id="538" material="void" name="x = 7, y = 3, z = 5" region="22 -25 11 -14 18 -21" universe="1" />
-  <cell id="539" material="void" name="x = 8, y = 3, z = 5" region="25 -28 11 -14 18 -21" universe="1" />
-  <cell id="540" material="void" name="x = 9, y = 3, z = 5" region="28 -31 11 -14 18 -21" universe="1" />
-  <cell id="541" material="void" name="x = 0, y = 4, z = 5" region="1 -4 14 -17 18 -21" universe="1" />
-  <cell id="542" material="void" name="x = 1, y = 4, z = 5" region="4 -7 14 -17 18 -21" universe="1" />
-  <cell id="543" material="void" name="x = 2, y = 4, z = 5" region="7 -10 14 -17 18 -21" universe="1" />
-  <cell id="544" material="void" name="x = 3, y = 4, z = 5" region="10 -13 14 -17 18 -21" universe="1" />
-  <cell id="545" material="void" name="x = 4, y = 4, z = 5" region="13 -16 14 -17 18 -21" universe="1" />
-  <cell id="546" material="void" name="x = 5, y = 4, z = 5" region="16 -19 14 -17 18 -21" universe="1" />
-  <cell id="547" material="void" name="x = 6, y = 4, z = 5" region="19 -22 14 -17 18 -21" universe="1" />
-  <cell id="548" material="void" name="x = 7, y = 4, z = 5" region="22 -25 14 -17 18 -21" universe="1" />
-  <cell id="549" material="void" name="x = 8, y = 4, z = 5" region="25 -28 14 -17 18 -21" universe="1" />
-  <cell id="550" material="void" name="x = 9, y = 4, z = 5" region="28 -31 14 -17 18 -21" universe="1" />
-  <cell id="551" material="void" name="x = 0, y = 5, z = 5" region="1 -4 17 -20 18 -21" universe="1" />
-  <cell id="552" material="void" name="x = 1, y = 5, z = 5" region="4 -7 17 -20 18 -21" universe="1" />
-  <cell id="553" material="void" name="x = 2, y = 5, z = 5" region="7 -10 17 -20 18 -21" universe="1" />
-  <cell id="554" material="void" name="x = 3, y = 5, z = 5" region="10 -13 17 -20 18 -21" universe="1" />
-  <cell id="555" material="void" name="x = 4, y = 5, z = 5" region="13 -16 17 -20 18 -21" universe="1" />
-  <cell id="556" material="void" name="x = 5, y = 5, z = 5" region="16 -19 17 -20 18 -21" universe="1" />
-  <cell id="557" material="void" name="x = 6, y = 5, z = 5" region="19 -22 17 -20 18 -21" universe="1" />
-  <cell id="558" material="void" name="x = 7, y = 5, z = 5" region="22 -25 17 -20 18 -21" universe="1" />
-  <cell id="559" material="void" name="x = 8, y = 5, z = 5" region="25 -28 17 -20 18 -21" universe="1" />
-  <cell id="560" material="void" name="x = 9, y = 5, z = 5" region="28 -31 17 -20 18 -21" universe="1" />
-  <cell id="561" material="void" name="x = 0, y = 6, z = 5" region="1 -4 20 -23 18 -21" universe="1" />
-  <cell id="562" material="void" name="x = 1, y = 6, z = 5" region="4 -7 20 -23 18 -21" universe="1" />
-  <cell id="563" material="void" name="x = 2, y = 6, z = 5" region="7 -10 20 -23 18 -21" universe="1" />
-  <cell id="564" material="void" name="x = 3, y = 6, z = 5" region="10 -13 20 -23 18 -21" universe="1" />
-  <cell id="565" material="void" name="x = 4, y = 6, z = 5" region="13 -16 20 -23 18 -21" universe="1" />
-  <cell id="566" material="void" name="x = 5, y = 6, z = 5" region="16 -19 20 -23 18 -21" universe="1" />
-  <cell id="567" material="void" name="x = 6, y = 6, z = 5" region="19 -22 20 -23 18 -21" universe="1" />
-  <cell id="568" material="void" name="x = 7, y = 6, z = 5" region="22 -25 20 -23 18 -21" universe="1" />
-  <cell id="569" material="void" name="x = 8, y = 6, z = 5" region="25 -28 20 -23 18 -21" universe="1" />
-  <cell id="570" material="void" name="x = 9, y = 6, z = 5" region="28 -31 20 -23 18 -21" universe="1" />
-  <cell id="571" material="void" name="x = 0, y = 7, z = 5" region="1 -4 23 -26 18 -21" universe="1" />
-  <cell id="572" material="void" name="x = 1, y = 7, z = 5" region="4 -7 23 -26 18 -21" universe="1" />
-  <cell id="573" material="void" name="x = 2, y = 7, z = 5" region="7 -10 23 -26 18 -21" universe="1" />
-  <cell id="574" material="void" name="x = 3, y = 7, z = 5" region="10 -13 23 -26 18 -21" universe="1" />
-  <cell id="575" material="void" name="x = 4, y = 7, z = 5" region="13 -16 23 -26 18 -21" universe="1" />
-  <cell id="576" material="void" name="x = 5, y = 7, z = 5" region="16 -19 23 -26 18 -21" universe="1" />
-  <cell id="577" material="void" name="x = 6, y = 7, z = 5" region="19 -22 23 -26 18 -21" universe="1" />
-  <cell id="578" material="void" name="x = 7, y = 7, z = 5" region="22 -25 23 -26 18 -21" universe="1" />
-  <cell id="579" material="void" name="x = 8, y = 7, z = 5" region="25 -28 23 -26 18 -21" universe="1" />
-  <cell id="580" material="void" name="x = 9, y = 7, z = 5" region="28 -31 23 -26 18 -21" universe="1" />
-  <cell id="581" material="void" name="x = 0, y = 8, z = 5" region="1 -4 26 -29 18 -21" universe="1" />
-  <cell id="582" material="void" name="x = 1, y = 8, z = 5" region="4 -7 26 -29 18 -21" universe="1" />
-  <cell id="583" material="void" name="x = 2, y = 8, z = 5" region="7 -10 26 -29 18 -21" universe="1" />
-  <cell id="584" material="void" name="x = 3, y = 8, z = 5" region="10 -13 26 -29 18 -21" universe="1" />
-  <cell id="585" material="void" name="x = 4, y = 8, z = 5" region="13 -16 26 -29 18 -21" universe="1" />
-  <cell id="586" material="void" name="x = 5, y = 8, z = 5" region="16 -19 26 -29 18 -21" universe="1" />
-  <cell id="587" material="void" name="x = 6, y = 8, z = 5" region="19 -22 26 -29 18 -21" universe="1" />
-  <cell id="588" material="void" name="x = 7, y = 8, z = 5" region="22 -25 26 -29 18 -21" universe="1" />
-  <cell id="589" material="void" name="x = 8, y = 8, z = 5" region="25 -28 26 -29 18 -21" universe="1" />
-  <cell id="590" material="void" name="x = 9, y = 8, z = 5" region="28 -31 26 -29 18 -21" universe="1" />
-  <cell id="591" material="void" name="x = 0, y = 9, z = 5" region="1 -4 29 -32 18 -21" universe="1" />
-  <cell id="592" material="void" name="x = 1, y = 9, z = 5" region="4 -7 29 -32 18 -21" universe="1" />
-  <cell id="593" material="void" name="x = 2, y = 9, z = 5" region="7 -10 29 -32 18 -21" universe="1" />
-  <cell id="594" material="void" name="x = 3, y = 9, z = 5" region="10 -13 29 -32 18 -21" universe="1" />
-  <cell id="595" material="void" name="x = 4, y = 9, z = 5" region="13 -16 29 -32 18 -21" universe="1" />
-  <cell id="596" material="void" name="x = 5, y = 9, z = 5" region="16 -19 29 -32 18 -21" universe="1" />
-  <cell id="597" material="void" name="x = 6, y = 9, z = 5" region="19 -22 29 -32 18 -21" universe="1" />
-  <cell id="598" material="void" name="x = 7, y = 9, z = 5" region="22 -25 29 -32 18 -21" universe="1" />
-  <cell id="599" material="void" name="x = 8, y = 9, z = 5" region="25 -28 29 -32 18 -21" universe="1" />
-  <cell id="600" material="void" name="x = 9, y = 9, z = 5" region="28 -31 29 -32 18 -21" universe="1" />
-  <cell id="601" material="void" name="x = 0, y = 0, z = 6" region="1 -4 2 -5 21 -24" universe="1" />
-  <cell id="602" material="void" name="x = 1, y = 0, z = 6" region="4 -7 2 -5 21 -24" universe="1" />
-  <cell id="603" material="void" name="x = 2, y = 0, z = 6" region="7 -10 2 -5 21 -24" universe="1" />
-  <cell id="604" material="void" name="x = 3, y = 0, z = 6" region="10 -13 2 -5 21 -24" universe="1" />
-  <cell id="605" material="void" name="x = 4, y = 0, z = 6" region="13 -16 2 -5 21 -24" universe="1" />
-  <cell id="606" material="void" name="x = 5, y = 0, z = 6" region="16 -19 2 -5 21 -24" universe="1" />
-  <cell id="607" material="void" name="x = 6, y = 0, z = 6" region="19 -22 2 -5 21 -24" universe="1" />
-  <cell id="608" material="void" name="x = 7, y = 0, z = 6" region="22 -25 2 -5 21 -24" universe="1" />
-  <cell id="609" material="void" name="x = 8, y = 0, z = 6" region="25 -28 2 -5 21 -24" universe="1" />
-  <cell id="610" material="void" name="x = 9, y = 0, z = 6" region="28 -31 2 -5 21 -24" universe="1" />
-  <cell id="611" material="void" name="x = 0, y = 1, z = 6" region="1 -4 5 -8 21 -24" universe="1" />
-  <cell id="612" material="void" name="x = 1, y = 1, z = 6" region="4 -7 5 -8 21 -24" universe="1" />
-  <cell id="613" material="void" name="x = 2, y = 1, z = 6" region="7 -10 5 -8 21 -24" universe="1" />
-  <cell id="614" material="void" name="x = 3, y = 1, z = 6" region="10 -13 5 -8 21 -24" universe="1" />
-  <cell id="615" material="void" name="x = 4, y = 1, z = 6" region="13 -16 5 -8 21 -24" universe="1" />
-  <cell id="616" material="void" name="x = 5, y = 1, z = 6" region="16 -19 5 -8 21 -24" universe="1" />
-  <cell id="617" material="void" name="x = 6, y = 1, z = 6" region="19 -22 5 -8 21 -24" universe="1" />
-  <cell id="618" material="void" name="x = 7, y = 1, z = 6" region="22 -25 5 -8 21 -24" universe="1" />
-  <cell id="619" material="void" name="x = 8, y = 1, z = 6" region="25 -28 5 -8 21 -24" universe="1" />
-  <cell id="620" material="void" name="x = 9, y = 1, z = 6" region="28 -31 5 -8 21 -24" universe="1" />
-  <cell id="621" material="void" name="x = 0, y = 2, z = 6" region="1 -4 8 -11 21 -24" universe="1" />
-  <cell id="622" material="void" name="x = 1, y = 2, z = 6" region="4 -7 8 -11 21 -24" universe="1" />
-  <cell id="623" material="void" name="x = 2, y = 2, z = 6" region="7 -10 8 -11 21 -24" universe="1" />
-  <cell id="624" material="void" name="x = 3, y = 2, z = 6" region="10 -13 8 -11 21 -24" universe="1" />
-  <cell id="625" material="void" name="x = 4, y = 2, z = 6" region="13 -16 8 -11 21 -24" universe="1" />
-  <cell id="626" material="void" name="x = 5, y = 2, z = 6" region="16 -19 8 -11 21 -24" universe="1" />
-  <cell id="627" material="void" name="x = 6, y = 2, z = 6" region="19 -22 8 -11 21 -24" universe="1" />
-  <cell id="628" material="void" name="x = 7, y = 2, z = 6" region="22 -25 8 -11 21 -24" universe="1" />
-  <cell id="629" material="void" name="x = 8, y = 2, z = 6" region="25 -28 8 -11 21 -24" universe="1" />
-  <cell id="630" material="void" name="x = 9, y = 2, z = 6" region="28 -31 8 -11 21 -24" universe="1" />
-  <cell id="631" material="void" name="x = 0, y = 3, z = 6" region="1 -4 11 -14 21 -24" universe="1" />
-  <cell id="632" material="void" name="x = 1, y = 3, z = 6" region="4 -7 11 -14 21 -24" universe="1" />
-  <cell id="633" material="void" name="x = 2, y = 3, z = 6" region="7 -10 11 -14 21 -24" universe="1" />
-  <cell id="634" material="void" name="x = 3, y = 3, z = 6" region="10 -13 11 -14 21 -24" universe="1" />
-  <cell id="635" material="void" name="x = 4, y = 3, z = 6" region="13 -16 11 -14 21 -24" universe="1" />
-  <cell id="636" material="void" name="x = 5, y = 3, z = 6" region="16 -19 11 -14 21 -24" universe="1" />
-  <cell id="637" material="void" name="x = 6, y = 3, z = 6" region="19 -22 11 -14 21 -24" universe="1" />
-  <cell id="638" material="void" name="x = 7, y = 3, z = 6" region="22 -25 11 -14 21 -24" universe="1" />
-  <cell id="639" material="void" name="x = 8, y = 3, z = 6" region="25 -28 11 -14 21 -24" universe="1" />
-  <cell id="640" material="void" name="x = 9, y = 3, z = 6" region="28 -31 11 -14 21 -24" universe="1" />
-  <cell id="641" material="void" name="x = 0, y = 4, z = 6" region="1 -4 14 -17 21 -24" universe="1" />
-  <cell id="642" material="void" name="x = 1, y = 4, z = 6" region="4 -7 14 -17 21 -24" universe="1" />
-  <cell id="643" material="void" name="x = 2, y = 4, z = 6" region="7 -10 14 -17 21 -24" universe="1" />
-  <cell id="644" material="void" name="x = 3, y = 4, z = 6" region="10 -13 14 -17 21 -24" universe="1" />
-  <cell id="645" material="void" name="x = 4, y = 4, z = 6" region="13 -16 14 -17 21 -24" universe="1" />
-  <cell id="646" material="void" name="x = 5, y = 4, z = 6" region="16 -19 14 -17 21 -24" universe="1" />
-  <cell id="647" material="void" name="x = 6, y = 4, z = 6" region="19 -22 14 -17 21 -24" universe="1" />
-  <cell id="648" material="void" name="x = 7, y = 4, z = 6" region="22 -25 14 -17 21 -24" universe="1" />
-  <cell id="649" material="void" name="x = 8, y = 4, z = 6" region="25 -28 14 -17 21 -24" universe="1" />
-  <cell id="650" material="void" name="x = 9, y = 4, z = 6" region="28 -31 14 -17 21 -24" universe="1" />
-  <cell id="651" material="void" name="x = 0, y = 5, z = 6" region="1 -4 17 -20 21 -24" universe="1" />
-  <cell id="652" material="void" name="x = 1, y = 5, z = 6" region="4 -7 17 -20 21 -24" universe="1" />
-  <cell id="653" material="void" name="x = 2, y = 5, z = 6" region="7 -10 17 -20 21 -24" universe="1" />
-  <cell id="654" material="void" name="x = 3, y = 5, z = 6" region="10 -13 17 -20 21 -24" universe="1" />
-  <cell id="655" material="void" name="x = 4, y = 5, z = 6" region="13 -16 17 -20 21 -24" universe="1" />
-  <cell id="656" material="void" name="x = 5, y = 5, z = 6" region="16 -19 17 -20 21 -24" universe="1" />
-  <cell id="657" material="void" name="x = 6, y = 5, z = 6" region="19 -22 17 -20 21 -24" universe="1" />
-  <cell id="658" material="void" name="x = 7, y = 5, z = 6" region="22 -25 17 -20 21 -24" universe="1" />
-  <cell id="659" material="void" name="x = 8, y = 5, z = 6" region="25 -28 17 -20 21 -24" universe="1" />
-  <cell id="660" material="void" name="x = 9, y = 5, z = 6" region="28 -31 17 -20 21 -24" universe="1" />
-  <cell id="661" material="void" name="x = 0, y = 6, z = 6" region="1 -4 20 -23 21 -24" universe="1" />
-  <cell id="662" material="void" name="x = 1, y = 6, z = 6" region="4 -7 20 -23 21 -24" universe="1" />
-  <cell id="663" material="void" name="x = 2, y = 6, z = 6" region="7 -10 20 -23 21 -24" universe="1" />
-  <cell id="664" material="void" name="x = 3, y = 6, z = 6" region="10 -13 20 -23 21 -24" universe="1" />
-  <cell id="665" material="void" name="x = 4, y = 6, z = 6" region="13 -16 20 -23 21 -24" universe="1" />
-  <cell id="666" material="void" name="x = 5, y = 6, z = 6" region="16 -19 20 -23 21 -24" universe="1" />
-  <cell id="667" material="void" name="x = 6, y = 6, z = 6" region="19 -22 20 -23 21 -24" universe="1" />
-  <cell id="668" material="void" name="x = 7, y = 6, z = 6" region="22 -25 20 -23 21 -24" universe="1" />
-  <cell id="669" material="void" name="x = 8, y = 6, z = 6" region="25 -28 20 -23 21 -24" universe="1" />
-  <cell id="670" material="void" name="x = 9, y = 6, z = 6" region="28 -31 20 -23 21 -24" universe="1" />
-  <cell id="671" material="void" name="x = 0, y = 7, z = 6" region="1 -4 23 -26 21 -24" universe="1" />
-  <cell id="672" material="void" name="x = 1, y = 7, z = 6" region="4 -7 23 -26 21 -24" universe="1" />
-  <cell id="673" material="void" name="x = 2, y = 7, z = 6" region="7 -10 23 -26 21 -24" universe="1" />
-  <cell id="674" material="void" name="x = 3, y = 7, z = 6" region="10 -13 23 -26 21 -24" universe="1" />
-  <cell id="675" material="void" name="x = 4, y = 7, z = 6" region="13 -16 23 -26 21 -24" universe="1" />
-  <cell id="676" material="void" name="x = 5, y = 7, z = 6" region="16 -19 23 -26 21 -24" universe="1" />
-  <cell id="677" material="void" name="x = 6, y = 7, z = 6" region="19 -22 23 -26 21 -24" universe="1" />
-  <cell id="678" material="void" name="x = 7, y = 7, z = 6" region="22 -25 23 -26 21 -24" universe="1" />
-  <cell id="679" material="void" name="x = 8, y = 7, z = 6" region="25 -28 23 -26 21 -24" universe="1" />
-  <cell id="680" material="void" name="x = 9, y = 7, z = 6" region="28 -31 23 -26 21 -24" universe="1" />
-  <cell id="681" material="void" name="x = 0, y = 8, z = 6" region="1 -4 26 -29 21 -24" universe="1" />
-  <cell id="682" material="void" name="x = 1, y = 8, z = 6" region="4 -7 26 -29 21 -24" universe="1" />
-  <cell id="683" material="void" name="x = 2, y = 8, z = 6" region="7 -10 26 -29 21 -24" universe="1" />
-  <cell id="684" material="void" name="x = 3, y = 8, z = 6" region="10 -13 26 -29 21 -24" universe="1" />
-  <cell id="685" material="void" name="x = 4, y = 8, z = 6" region="13 -16 26 -29 21 -24" universe="1" />
-  <cell id="686" material="void" name="x = 5, y = 8, z = 6" region="16 -19 26 -29 21 -24" universe="1" />
-  <cell id="687" material="void" name="x = 6, y = 8, z = 6" region="19 -22 26 -29 21 -24" universe="1" />
-  <cell id="688" material="void" name="x = 7, y = 8, z = 6" region="22 -25 26 -29 21 -24" universe="1" />
-  <cell id="689" material="void" name="x = 8, y = 8, z = 6" region="25 -28 26 -29 21 -24" universe="1" />
-  <cell id="690" material="void" name="x = 9, y = 8, z = 6" region="28 -31 26 -29 21 -24" universe="1" />
-  <cell id="691" material="void" name="x = 0, y = 9, z = 6" region="1 -4 29 -32 21 -24" universe="1" />
-  <cell id="692" material="void" name="x = 1, y = 9, z = 6" region="4 -7 29 -32 21 -24" universe="1" />
-  <cell id="693" material="void" name="x = 2, y = 9, z = 6" region="7 -10 29 -32 21 -24" universe="1" />
-  <cell id="694" material="void" name="x = 3, y = 9, z = 6" region="10 -13 29 -32 21 -24" universe="1" />
-  <cell id="695" material="void" name="x = 4, y = 9, z = 6" region="13 -16 29 -32 21 -24" universe="1" />
-  <cell id="696" material="void" name="x = 5, y = 9, z = 6" region="16 -19 29 -32 21 -24" universe="1" />
-  <cell id="697" material="void" name="x = 6, y = 9, z = 6" region="19 -22 29 -32 21 -24" universe="1" />
-  <cell id="698" material="void" name="x = 7, y = 9, z = 6" region="22 -25 29 -32 21 -24" universe="1" />
-  <cell id="699" material="void" name="x = 8, y = 9, z = 6" region="25 -28 29 -32 21 -24" universe="1" />
-  <cell id="700" material="void" name="x = 9, y = 9, z = 6" region="28 -31 29 -32 21 -24" universe="1" />
-  <cell id="701" material="void" name="x = 0, y = 0, z = 7" region="1 -4 2 -5 24 -27" universe="1" />
-  <cell id="702" material="void" name="x = 1, y = 0, z = 7" region="4 -7 2 -5 24 -27" universe="1" />
-  <cell id="703" material="void" name="x = 2, y = 0, z = 7" region="7 -10 2 -5 24 -27" universe="1" />
-  <cell id="704" material="void" name="x = 3, y = 0, z = 7" region="10 -13 2 -5 24 -27" universe="1" />
-  <cell id="705" material="void" name="x = 4, y = 0, z = 7" region="13 -16 2 -5 24 -27" universe="1" />
-  <cell id="706" material="void" name="x = 5, y = 0, z = 7" region="16 -19 2 -5 24 -27" universe="1" />
-  <cell id="707" material="void" name="x = 6, y = 0, z = 7" region="19 -22 2 -5 24 -27" universe="1" />
-  <cell id="708" material="void" name="x = 7, y = 0, z = 7" region="22 -25 2 -5 24 -27" universe="1" />
-  <cell id="709" material="void" name="x = 8, y = 0, z = 7" region="25 -28 2 -5 24 -27" universe="1" />
-  <cell id="710" material="void" name="x = 9, y = 0, z = 7" region="28 -31 2 -5 24 -27" universe="1" />
-  <cell id="711" material="void" name="x = 0, y = 1, z = 7" region="1 -4 5 -8 24 -27" universe="1" />
-  <cell id="712" material="void" name="x = 1, y = 1, z = 7" region="4 -7 5 -8 24 -27" universe="1" />
-  <cell id="713" material="void" name="x = 2, y = 1, z = 7" region="7 -10 5 -8 24 -27" universe="1" />
-  <cell id="714" material="void" name="x = 3, y = 1, z = 7" region="10 -13 5 -8 24 -27" universe="1" />
-  <cell id="715" material="void" name="x = 4, y = 1, z = 7" region="13 -16 5 -8 24 -27" universe="1" />
-  <cell id="716" material="void" name="x = 5, y = 1, z = 7" region="16 -19 5 -8 24 -27" universe="1" />
-  <cell id="717" material="void" name="x = 6, y = 1, z = 7" region="19 -22 5 -8 24 -27" universe="1" />
-  <cell id="718" material="void" name="x = 7, y = 1, z = 7" region="22 -25 5 -8 24 -27" universe="1" />
-  <cell id="719" material="void" name="x = 8, y = 1, z = 7" region="25 -28 5 -8 24 -27" universe="1" />
-  <cell id="720" material="void" name="x = 9, y = 1, z = 7" region="28 -31 5 -8 24 -27" universe="1" />
-  <cell id="721" material="void" name="x = 0, y = 2, z = 7" region="1 -4 8 -11 24 -27" universe="1" />
-  <cell id="722" material="void" name="x = 1, y = 2, z = 7" region="4 -7 8 -11 24 -27" universe="1" />
-  <cell id="723" material="void" name="x = 2, y = 2, z = 7" region="7 -10 8 -11 24 -27" universe="1" />
-  <cell id="724" material="void" name="x = 3, y = 2, z = 7" region="10 -13 8 -11 24 -27" universe="1" />
-  <cell id="725" material="void" name="x = 4, y = 2, z = 7" region="13 -16 8 -11 24 -27" universe="1" />
-  <cell id="726" material="void" name="x = 5, y = 2, z = 7" region="16 -19 8 -11 24 -27" universe="1" />
-  <cell id="727" material="void" name="x = 6, y = 2, z = 7" region="19 -22 8 -11 24 -27" universe="1" />
-  <cell id="728" material="void" name="x = 7, y = 2, z = 7" region="22 -25 8 -11 24 -27" universe="1" />
-  <cell id="729" material="void" name="x = 8, y = 2, z = 7" region="25 -28 8 -11 24 -27" universe="1" />
-  <cell id="730" material="void" name="x = 9, y = 2, z = 7" region="28 -31 8 -11 24 -27" universe="1" />
-  <cell id="731" material="void" name="x = 0, y = 3, z = 7" region="1 -4 11 -14 24 -27" universe="1" />
-  <cell id="732" material="void" name="x = 1, y = 3, z = 7" region="4 -7 11 -14 24 -27" universe="1" />
-  <cell id="733" material="void" name="x = 2, y = 3, z = 7" region="7 -10 11 -14 24 -27" universe="1" />
-  <cell id="734" material="void" name="x = 3, y = 3, z = 7" region="10 -13 11 -14 24 -27" universe="1" />
-  <cell id="735" material="void" name="x = 4, y = 3, z = 7" region="13 -16 11 -14 24 -27" universe="1" />
-  <cell id="736" material="void" name="x = 5, y = 3, z = 7" region="16 -19 11 -14 24 -27" universe="1" />
-  <cell id="737" material="void" name="x = 6, y = 3, z = 7" region="19 -22 11 -14 24 -27" universe="1" />
-  <cell id="738" material="void" name="x = 7, y = 3, z = 7" region="22 -25 11 -14 24 -27" universe="1" />
-  <cell id="739" material="void" name="x = 8, y = 3, z = 7" region="25 -28 11 -14 24 -27" universe="1" />
-  <cell id="740" material="void" name="x = 9, y = 3, z = 7" region="28 -31 11 -14 24 -27" universe="1" />
-  <cell id="741" material="void" name="x = 0, y = 4, z = 7" region="1 -4 14 -17 24 -27" universe="1" />
-  <cell id="742" material="void" name="x = 1, y = 4, z = 7" region="4 -7 14 -17 24 -27" universe="1" />
-  <cell id="743" material="void" name="x = 2, y = 4, z = 7" region="7 -10 14 -17 24 -27" universe="1" />
-  <cell id="744" material="void" name="x = 3, y = 4, z = 7" region="10 -13 14 -17 24 -27" universe="1" />
-  <cell id="745" material="void" name="x = 4, y = 4, z = 7" region="13 -16 14 -17 24 -27" universe="1" />
-  <cell id="746" material="void" name="x = 5, y = 4, z = 7" region="16 -19 14 -17 24 -27" universe="1" />
-  <cell id="747" material="void" name="x = 6, y = 4, z = 7" region="19 -22 14 -17 24 -27" universe="1" />
-  <cell id="748" material="void" name="x = 7, y = 4, z = 7" region="22 -25 14 -17 24 -27" universe="1" />
-  <cell id="749" material="void" name="x = 8, y = 4, z = 7" region="25 -28 14 -17 24 -27" universe="1" />
-  <cell id="750" material="void" name="x = 9, y = 4, z = 7" region="28 -31 14 -17 24 -27" universe="1" />
-  <cell id="751" material="void" name="x = 0, y = 5, z = 7" region="1 -4 17 -20 24 -27" universe="1" />
-  <cell id="752" material="void" name="x = 1, y = 5, z = 7" region="4 -7 17 -20 24 -27" universe="1" />
-  <cell id="753" material="void" name="x = 2, y = 5, z = 7" region="7 -10 17 -20 24 -27" universe="1" />
-  <cell id="754" material="void" name="x = 3, y = 5, z = 7" region="10 -13 17 -20 24 -27" universe="1" />
-  <cell id="755" material="void" name="x = 4, y = 5, z = 7" region="13 -16 17 -20 24 -27" universe="1" />
-  <cell id="756" material="void" name="x = 5, y = 5, z = 7" region="16 -19 17 -20 24 -27" universe="1" />
-  <cell id="757" material="void" name="x = 6, y = 5, z = 7" region="19 -22 17 -20 24 -27" universe="1" />
-  <cell id="758" material="void" name="x = 7, y = 5, z = 7" region="22 -25 17 -20 24 -27" universe="1" />
-  <cell id="759" material="void" name="x = 8, y = 5, z = 7" region="25 -28 17 -20 24 -27" universe="1" />
-  <cell id="760" material="void" name="x = 9, y = 5, z = 7" region="28 -31 17 -20 24 -27" universe="1" />
-  <cell id="761" material="void" name="x = 0, y = 6, z = 7" region="1 -4 20 -23 24 -27" universe="1" />
-  <cell id="762" material="void" name="x = 1, y = 6, z = 7" region="4 -7 20 -23 24 -27" universe="1" />
-  <cell id="763" material="void" name="x = 2, y = 6, z = 7" region="7 -10 20 -23 24 -27" universe="1" />
-  <cell id="764" material="void" name="x = 3, y = 6, z = 7" region="10 -13 20 -23 24 -27" universe="1" />
-  <cell id="765" material="void" name="x = 4, y = 6, z = 7" region="13 -16 20 -23 24 -27" universe="1" />
-  <cell id="766" material="void" name="x = 5, y = 6, z = 7" region="16 -19 20 -23 24 -27" universe="1" />
-  <cell id="767" material="void" name="x = 6, y = 6, z = 7" region="19 -22 20 -23 24 -27" universe="1" />
-  <cell id="768" material="void" name="x = 7, y = 6, z = 7" region="22 -25 20 -23 24 -27" universe="1" />
-  <cell id="769" material="void" name="x = 8, y = 6, z = 7" region="25 -28 20 -23 24 -27" universe="1" />
-  <cell id="770" material="void" name="x = 9, y = 6, z = 7" region="28 -31 20 -23 24 -27" universe="1" />
-  <cell id="771" material="void" name="x = 0, y = 7, z = 7" region="1 -4 23 -26 24 -27" universe="1" />
-  <cell id="772" material="void" name="x = 1, y = 7, z = 7" region="4 -7 23 -26 24 -27" universe="1" />
-  <cell id="773" material="void" name="x = 2, y = 7, z = 7" region="7 -10 23 -26 24 -27" universe="1" />
-  <cell id="774" material="void" name="x = 3, y = 7, z = 7" region="10 -13 23 -26 24 -27" universe="1" />
-  <cell id="775" material="void" name="x = 4, y = 7, z = 7" region="13 -16 23 -26 24 -27" universe="1" />
-  <cell id="776" material="void" name="x = 5, y = 7, z = 7" region="16 -19 23 -26 24 -27" universe="1" />
-  <cell id="777" material="void" name="x = 6, y = 7, z = 7" region="19 -22 23 -26 24 -27" universe="1" />
-  <cell id="778" material="void" name="x = 7, y = 7, z = 7" region="22 -25 23 -26 24 -27" universe="1" />
-  <cell id="779" material="void" name="x = 8, y = 7, z = 7" region="25 -28 23 -26 24 -27" universe="1" />
-  <cell id="780" material="void" name="x = 9, y = 7, z = 7" region="28 -31 23 -26 24 -27" universe="1" />
-  <cell id="781" material="void" name="x = 0, y = 8, z = 7" region="1 -4 26 -29 24 -27" universe="1" />
-  <cell id="782" material="void" name="x = 1, y = 8, z = 7" region="4 -7 26 -29 24 -27" universe="1" />
-  <cell id="783" material="void" name="x = 2, y = 8, z = 7" region="7 -10 26 -29 24 -27" universe="1" />
-  <cell id="784" material="void" name="x = 3, y = 8, z = 7" region="10 -13 26 -29 24 -27" universe="1" />
-  <cell id="785" material="void" name="x = 4, y = 8, z = 7" region="13 -16 26 -29 24 -27" universe="1" />
-  <cell id="786" material="void" name="x = 5, y = 8, z = 7" region="16 -19 26 -29 24 -27" universe="1" />
-  <cell id="787" material="void" name="x = 6, y = 8, z = 7" region="19 -22 26 -29 24 -27" universe="1" />
-  <cell id="788" material="void" name="x = 7, y = 8, z = 7" region="22 -25 26 -29 24 -27" universe="1" />
-  <cell id="789" material="void" name="x = 8, y = 8, z = 7" region="25 -28 26 -29 24 -27" universe="1" />
-  <cell id="790" material="void" name="x = 9, y = 8, z = 7" region="28 -31 26 -29 24 -27" universe="1" />
-  <cell id="791" material="void" name="x = 0, y = 9, z = 7" region="1 -4 29 -32 24 -27" universe="1" />
-  <cell id="792" material="void" name="x = 1, y = 9, z = 7" region="4 -7 29 -32 24 -27" universe="1" />
-  <cell id="793" material="void" name="x = 2, y = 9, z = 7" region="7 -10 29 -32 24 -27" universe="1" />
-  <cell id="794" material="void" name="x = 3, y = 9, z = 7" region="10 -13 29 -32 24 -27" universe="1" />
-  <cell id="795" material="void" name="x = 4, y = 9, z = 7" region="13 -16 29 -32 24 -27" universe="1" />
-  <cell id="796" material="void" name="x = 5, y = 9, z = 7" region="16 -19 29 -32 24 -27" universe="1" />
-  <cell id="797" material="void" name="x = 6, y = 9, z = 7" region="19 -22 29 -32 24 -27" universe="1" />
-  <cell id="798" material="void" name="x = 7, y = 9, z = 7" region="22 -25 29 -32 24 -27" universe="1" />
-  <cell id="799" material="void" name="x = 8, y = 9, z = 7" region="25 -28 29 -32 24 -27" universe="1" />
-  <cell id="800" material="void" name="x = 9, y = 9, z = 7" region="28 -31 29 -32 24 -27" universe="1" />
-  <cell id="801" material="void" name="x = 0, y = 0, z = 8" region="1 -4 2 -5 27 -30" universe="1" />
-  <cell id="802" material="void" name="x = 1, y = 0, z = 8" region="4 -7 2 -5 27 -30" universe="1" />
-  <cell id="803" material="void" name="x = 2, y = 0, z = 8" region="7 -10 2 -5 27 -30" universe="1" />
-  <cell id="804" material="void" name="x = 3, y = 0, z = 8" region="10 -13 2 -5 27 -30" universe="1" />
-  <cell id="805" material="void" name="x = 4, y = 0, z = 8" region="13 -16 2 -5 27 -30" universe="1" />
-  <cell id="806" material="void" name="x = 5, y = 0, z = 8" region="16 -19 2 -5 27 -30" universe="1" />
-  <cell id="807" material="void" name="x = 6, y = 0, z = 8" region="19 -22 2 -5 27 -30" universe="1" />
-  <cell id="808" material="void" name="x = 7, y = 0, z = 8" region="22 -25 2 -5 27 -30" universe="1" />
-  <cell id="809" material="void" name="x = 8, y = 0, z = 8" region="25 -28 2 -5 27 -30" universe="1" />
-  <cell id="810" material="void" name="x = 9, y = 0, z = 8" region="28 -31 2 -5 27 -30" universe="1" />
-  <cell id="811" material="void" name="x = 0, y = 1, z = 8" region="1 -4 5 -8 27 -30" universe="1" />
-  <cell id="812" material="void" name="x = 1, y = 1, z = 8" region="4 -7 5 -8 27 -30" universe="1" />
-  <cell id="813" material="void" name="x = 2, y = 1, z = 8" region="7 -10 5 -8 27 -30" universe="1" />
-  <cell id="814" material="void" name="x = 3, y = 1, z = 8" region="10 -13 5 -8 27 -30" universe="1" />
-  <cell id="815" material="void" name="x = 4, y = 1, z = 8" region="13 -16 5 -8 27 -30" universe="1" />
-  <cell id="816" material="void" name="x = 5, y = 1, z = 8" region="16 -19 5 -8 27 -30" universe="1" />
-  <cell id="817" material="void" name="x = 6, y = 1, z = 8" region="19 -22 5 -8 27 -30" universe="1" />
-  <cell id="818" material="void" name="x = 7, y = 1, z = 8" region="22 -25 5 -8 27 -30" universe="1" />
-  <cell id="819" material="void" name="x = 8, y = 1, z = 8" region="25 -28 5 -8 27 -30" universe="1" />
-  <cell id="820" material="void" name="x = 9, y = 1, z = 8" region="28 -31 5 -8 27 -30" universe="1" />
-  <cell id="821" material="void" name="x = 0, y = 2, z = 8" region="1 -4 8 -11 27 -30" universe="1" />
-  <cell id="822" material="void" name="x = 1, y = 2, z = 8" region="4 -7 8 -11 27 -30" universe="1" />
-  <cell id="823" material="void" name="x = 2, y = 2, z = 8" region="7 -10 8 -11 27 -30" universe="1" />
-  <cell id="824" material="void" name="x = 3, y = 2, z = 8" region="10 -13 8 -11 27 -30" universe="1" />
-  <cell id="825" material="void" name="x = 4, y = 2, z = 8" region="13 -16 8 -11 27 -30" universe="1" />
-  <cell id="826" material="void" name="x = 5, y = 2, z = 8" region="16 -19 8 -11 27 -30" universe="1" />
-  <cell id="827" material="void" name="x = 6, y = 2, z = 8" region="19 -22 8 -11 27 -30" universe="1" />
-  <cell id="828" material="void" name="x = 7, y = 2, z = 8" region="22 -25 8 -11 27 -30" universe="1" />
-  <cell id="829" material="void" name="x = 8, y = 2, z = 8" region="25 -28 8 -11 27 -30" universe="1" />
-  <cell id="830" material="void" name="x = 9, y = 2, z = 8" region="28 -31 8 -11 27 -30" universe="1" />
-  <cell id="831" material="void" name="x = 0, y = 3, z = 8" region="1 -4 11 -14 27 -30" universe="1" />
-  <cell id="832" material="void" name="x = 1, y = 3, z = 8" region="4 -7 11 -14 27 -30" universe="1" />
-  <cell id="833" material="void" name="x = 2, y = 3, z = 8" region="7 -10 11 -14 27 -30" universe="1" />
-  <cell id="834" material="void" name="x = 3, y = 3, z = 8" region="10 -13 11 -14 27 -30" universe="1" />
-  <cell id="835" material="void" name="x = 4, y = 3, z = 8" region="13 -16 11 -14 27 -30" universe="1" />
-  <cell id="836" material="void" name="x = 5, y = 3, z = 8" region="16 -19 11 -14 27 -30" universe="1" />
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-  <cell id="838" material="void" name="x = 7, y = 3, z = 8" region="22 -25 11 -14 27 -30" universe="1" />
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0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0</strengths>
-    </space>
-    <energy type="discrete">
-      <parameters>15000000.0 1.0</parameters>
-    </energy>
-  </source>
-  <mesh id="1" library="moab" type="unstructured">
-    <filename>test_mesh_tets.e</filename>
-  </mesh>
-  <max_tracks>10000</max_tracks>
-</settings>
diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/test.py b/tests/regression_tests/unstructured_mesh/source_sampling/test.py
index 3e1609426..3612c6cf4 100644
--- a/tests/regression_tests/unstructured_mesh/source_sampling/test.py
+++ b/tests/regression_tests/unstructured_mesh/source_sampling/test.py
@@ -1,6 +1,4 @@
-import glob
 from itertools import product
-import os
 
 import pytest
 import numpy as np
@@ -9,6 +7,7 @@ import openmc
 import openmc.lib
 
 from tests import cdtemp
+from tests.testing_harness import PyAPITestHarness
 from tests.regression_tests import config
 from subprocess import call
 
@@ -17,6 +16,8 @@ TETS_PER_VOXEL = 12
 
 @pytest.fixture
 def model():
+    openmc.reset_auto_ids()
+
     ### Materials ###
     materials = openmc.Materials()
 
@@ -63,100 +64,47 @@ def model():
     ### Settings ###
     settings = openmc.Settings()
     settings.run_mode = 'fixed source'
-    settings.particles = 5000
+    settings.particles = 100
     settings.batches = 2
 
-    return openmc.model.Model(geometry=geometry,
-                              materials=materials,
-                              settings=settings)
-
-
-param_values = (['libmesh', 'moab'], # mesh libraries
-                ['uniform', 'manual']) # Element weighting schemes
-
-test_cases = []
-for i, (lib, schemes) in enumerate(product(*param_values)):
-    test_cases.append({'library' : lib,
-                       'source_strengths' : schemes,
-                       'inputs_true' : 'inputs_true{}.dat'.format(i)})
-
-def ids(params):
-    return f"{params['library']}-{params['source_strengths']}"
-
-@pytest.mark.parametrize("test_cases", test_cases, ids=ids)
-def test_unstructured_mesh_sampling(model, test_cases):
-    # skip the test if the library is not enabled
-    if test_cases['library'] == 'moab' and not openmc.lib._dagmc_enabled():
-        pytest.skip("DAGMC (and MOAB) mesh not enabled in this build.")
-
-    if test_cases['library'] == 'libmesh' and not openmc.lib._libmesh_enabled():
-        pytest.skip("LibMesh is not enabled in this build.")
-
-    # setup mesh source ###
     mesh_filename = "test_mesh_tets.e"
 
-    uscd_mesh = openmc.UnstructuredMesh(mesh_filename, test_cases['library'])
+    uscd_mesh = openmc.UnstructuredMesh(mesh_filename, 'libmesh')
 
-    n_cells = len(model.geometry.get_all_cells())
+    n_cells = len(geometry.get_all_cells())
 
     # set source weights according to test case
-    if test_cases['source_strengths'] == 'uniform':
-        vol_norm = True
-        strengths = None
-    elif test_cases['source_strengths'] == 'manual':
-        vol_norm = False
-        strengths = np.zeros(n_cells*TETS_PER_VOXEL)
-        # set non-zero strengths only for the tets corresponding to the
-        # first two geometric hex cells
-        strengths[0:TETS_PER_VOXEL] = 10
-        strengths[TETS_PER_VOXEL:2*TETS_PER_VOXEL] = 2
+    vol_norm = False
+    strengths = np.zeros(n_cells*TETS_PER_VOXEL)
+    # set non-zero strengths only for the tets corresponding to the
+    # first two geometric hex cells
+    strengths[0:TETS_PER_VOXEL] = 10
+    strengths[TETS_PER_VOXEL:2*TETS_PER_VOXEL] = 2
 
     # create the spatial distribution based on the mesh
     space = openmc.stats.MeshSpatial(uscd_mesh, strengths, vol_norm)
 
     energy = openmc.stats.Discrete(x=[15.e+06], p=[1.0])
     source = openmc.Source(space=space, energy=energy)
-    model.settings.source = source
+    settings.source = source
 
-    with cdtemp(['test_mesh_tets.e', 'test_mesh_tets.exo']):
-        model.export_to_xml()
+    return openmc.model.Model(geometry=geometry,
+                              materials=materials,
+                              settings=settings)
 
-        n_cells = len(model.geometry.get_all_cells())
 
-        n_samples = 100000
+test_cases = []
+for i, lib, in enumerate(['libmesh', 'moab']):
+    test_cases.append({'library' : lib,
+                       'inputs_true' : 'inputs_true{}.dat'.format(i)})
 
-        cell_counts = np.zeros(n_cells)
+def ids(params):
+    return params['library']
 
-        # This model contains 1000 geometry cells. Each cell is a hex
-        # corresponding to 12 of the tets. This test runs 10000 particles. This
-        #  results in the following average for each cell
-        average_in_hex = n_samples / n_cells
+@pytest.mark.parametrize("test_cases", test_cases, ids=ids)
+def test_unstructured_mesh_sampling(model, test_cases):
 
-        openmc.lib.init([])
+    model.settings.source[0].space.mesh.libaray = test_cases['library']
 
-        sites = openmc.lib.sample_external_source(n_samples)
-        cells = [openmc.lib.find_cell(s.r) for s in sites]
-
-        openmc.lib.finalize()
-
-        for c in cells:
-            cell_counts[c[0]._index] += 1
-
-        source_strengths = model.settings.source[0].space.strengths
-
-        if source_strengths is not None:
-            assert(cell_counts[0] > 0 and cell_counts[1] > 0)
-            assert(cell_counts[0] > cell_counts[1])
-
-            # counts for all other cells should be zero
-            for i in range(2, len(cell_counts)):
-                assert(cell_counts[i] == 0)
-
-        else:
-            # check that the average number of source sites in each cell
-            # is within the expected deviation
-            diff = np.abs(cell_counts - average_in_hex)
-
-            assert(np.average(cell_counts) == average_in_hex) # this probably shouldn't be exact???
-            assert((diff < 2*cell_counts.std()).sum() / diff.size >= 0.75)
-            assert((diff < 6*cell_counts.std()).sum() / diff.size >= 0.97)
+    harness = PyAPITestHarness('statepoint.2.h5', model, test_cases['inputs_true'])
+    harness.main()
\ No newline at end of file
diff --git a/tests/unit_tests/test_mesh_tets.e b/tests/unit_tests/test_mesh_tets.e
new file mode 120000
index 000000000..8a6287b4d
--- /dev/null
+++ b/tests/unit_tests/test_mesh_tets.e
@@ -0,0 +1 @@
+../regression_tests/unstructured_mesh/test_mesh_tets.e
\ No newline at end of file
diff --git a/tests/unit_tests/test_source_mesh.py b/tests/unit_tests/test_source_mesh.py
new file mode 100644
index 000000000..f9273b7c5
--- /dev/null
+++ b/tests/unit_tests/test_source_mesh.py
@@ -0,0 +1,154 @@
+from itertools import product
+
+import pytest
+import numpy as np
+
+import openmc
+import openmc.lib
+
+from tests import cdtemp
+from tests.regression_tests import config
+from subprocess import call
+
+TETS_PER_VOXEL = 12
+
+@pytest.fixture
+def model():
+    openmc.reset_auto_ids()
+
+    ### Materials ###
+    materials = openmc.Materials()
+
+    water_mat = openmc.Material(material_id=3, name="water")
+    water_mat.add_nuclide("H1", 2.0)
+    water_mat.add_nuclide("O16", 1.0)
+    water_mat.set_density("atom/b-cm", 0.07416)
+    materials.append(water_mat)
+
+    ### Geometry ###
+    # This test uses a geometry file that resembles a regular mesh.
+    # 12 tets are used to match each voxel in the geometry.
+
+    dimen = 10
+    size_hex = 20.0 / dimen
+
+    cells = np.empty((dimen, dimen, dimen), dtype=object)
+    surfaces = np.empty((dimen + 1, 3), dtype=object)
+
+    geometry = openmc.Geometry()
+    universe = openmc.Universe(universe_id=1, name="Contains all hexes")
+
+    for i in range(0, dimen+1):
+        coord = -dimen + i * size_hex
+        surfaces[i][0] = openmc.XPlane(coord, name=f"X plane at {coord}")
+        surfaces[i][1] = openmc.YPlane(coord, name=f"Y plane at {coord}")
+        surfaces[i][2] = openmc.ZPlane(coord, name=f"Z plane at {coord}")
+
+        surfaces[i][0].boundary_type = 'vacuum'
+        surfaces[i][1].boundary_type = 'vacuum'
+        surfaces[i][2].boundary_type = 'vacuum'
+
+    for (k, j, i) in np.ndindex(cells.shape):
+        cells[i][j][k] = openmc.Cell(name=("x = {}, y = {}, z = {}".format(i,j,k)))
+        cells[i][j][k].region = +surfaces[i][0] & -surfaces[i+1][0] & \
+                                +surfaces[j][1] & -surfaces[j+1][1] & \
+                                +surfaces[k][2] & -surfaces[k+1][2]
+        cells[i][j][k].fill = None
+
+        universe.add_cell(cells[i][j][k])
+
+    geometry = openmc.Geometry(universe)
+
+    ### Settings ###
+    settings = openmc.Settings()
+    settings.run_mode = 'fixed source'
+    settings.particles = 100
+    settings.batches = 2
+
+    return openmc.model.Model(geometry=geometry,
+                              materials=materials,
+                              settings=settings)
+
+param_values = (['libmesh', 'moab'], # mesh libraries
+                ['uniform', 'manual']) # Element weighting schemes
+
+test_cases = []
+for i, (lib, schemes) in enumerate(product(*param_values)):
+    test_cases.append({'library' : lib,
+                       'source_strengths' : schemes})
+
+def ids(params):
+    return f"{params['library']}-{params['source_strengths']}"
+
+@pytest.mark.parametrize("test_cases", test_cases, ids=ids)
+def test_unstructured_mesh_sampling(model, test_cases):
+    # skip the test if the library is not enabled
+    if test_cases['library'] == 'moab' and not openmc.lib._dagmc_enabled():
+        pytest.skip("DAGMC (and MOAB) mesh not enabled in this build.")
+
+    if test_cases['library'] == 'libmesh' and not openmc.lib._libmesh_enabled():
+        pytest.skip("LibMesh is not enabled in this build.")
+
+    # setup mesh source ###
+    mesh_filename = "test_mesh_tets.e"
+
+    uscd_mesh = openmc.UnstructuredMesh(mesh_filename, test_cases['library'])
+
+    n_cells = len(model.geometry.get_all_cells())
+
+    # set source weights according to test case
+    if test_cases['source_strengths'] == 'uniform':
+        vol_norm = True
+        strengths = None
+    elif test_cases['source_strengths'] == 'manual':
+        vol_norm = False
+        strengths = np.zeros(n_cells*TETS_PER_VOXEL)
+        # set non-zero strengths only for the tets corresponding to the
+        # first two geometric hex cells
+        strengths[0:TETS_PER_VOXEL] = 10
+        strengths[TETS_PER_VOXEL:2*TETS_PER_VOXEL] = 2
+
+    # create the spatial distribution based on the mesh
+    space = openmc.stats.MeshSpatial(uscd_mesh, strengths, vol_norm)
+
+    energy = openmc.stats.Discrete(x=[15.e+06], p=[1.0])
+    source = openmc.Source(space=space, energy=energy)
+    model.settings.source = source
+
+    with cdtemp(['test_mesh_tets.e']):
+        model.export_to_xml()
+
+        n_cells = len(model.geometry.get_all_cells())
+
+        n_samples = 50000
+
+        cell_counts = np.zeros(n_cells)
+
+        # This model contains 1000 geometry cells. Each cell is a hex
+        # corresponding to 12 of the tets. This test runs 10000 particles. This
+        #  results in the following average for each cell
+        average_in_hex = n_samples / n_cells
+
+        openmc.lib.init([])
+        sites = openmc.lib.sample_external_source(n_samples)
+        cells = [openmc.lib.find_cell(s.r) for s in sites]
+        openmc.lib.finalize()
+
+        for c in cells:
+            cell_counts[c[0]._index] += 1
+
+        if strengths is not None:
+            assert(cell_counts[0] > 0 and cell_counts[1] > 0)
+            assert(cell_counts[0] > cell_counts[1])
+
+            # counts for all other cells should be zero
+            for i in range(2, len(cell_counts)):
+                assert(cell_counts[i] == 0)
+        else:
+            # check that the average number of source sites in each cell
+            # is within the expected deviation
+            diff = np.abs(cell_counts - average_in_hex)
+
+            assert(np.average(cell_counts) == average_in_hex) # this probably shouldn't be exact???
+            assert((diff < 2*cell_counts.std()).sum() / diff.size >= 0.75)
+            assert((diff < 6*cell_counts.std()).sum() / diff.size >= 0.97)

From bc7c8cd89260181c4b30c9e854062bb515602b51 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Mon, 26 Dec 2022 22:30:18 -0600
Subject: [PATCH 1448/2654] Adding empty results for now

---
 .../unstructured_mesh/source_sampling/results_true.dat           | 0
 .../unstructured_mesh/source_sampling/test_mesh_tets.exo         | 1 -
 2 files changed, 1 deletion(-)
 create mode 100644 tests/regression_tests/unstructured_mesh/source_sampling/results_true.dat
 delete mode 120000 tests/regression_tests/unstructured_mesh/source_sampling/test_mesh_tets.exo

diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/results_true.dat b/tests/regression_tests/unstructured_mesh/source_sampling/results_true.dat
new file mode 100644
index 000000000..e69de29bb
diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/test_mesh_tets.exo b/tests/regression_tests/unstructured_mesh/source_sampling/test_mesh_tets.exo
deleted file mode 120000
index 6d40011d4..000000000
--- a/tests/regression_tests/unstructured_mesh/source_sampling/test_mesh_tets.exo
+++ /dev/null
@@ -1 +0,0 @@
-../test_mesh_tets.exo
\ No newline at end of file

From 996930f7f1a924d127829dda136e6a76d9e4db4d Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Mon, 26 Dec 2022 22:57:37 -0600
Subject: [PATCH 1449/2654] Improved testing for manually set source strengths

---
 tests/unit_tests/test_source_mesh.py | 50 +++++++++++++++-------------
 1 file changed, 27 insertions(+), 23 deletions(-)

diff --git a/tests/unit_tests/test_source_mesh.py b/tests/unit_tests/test_source_mesh.py
index f9273b7c5..18c6f3360 100644
--- a/tests/unit_tests/test_source_mesh.py
+++ b/tests/unit_tests/test_source_mesh.py
@@ -102,11 +102,8 @@ def test_unstructured_mesh_sampling(model, test_cases):
         strengths = None
     elif test_cases['source_strengths'] == 'manual':
         vol_norm = False
-        strengths = np.zeros(n_cells*TETS_PER_VOXEL)
-        # set non-zero strengths only for the tets corresponding to the
-        # first two geometric hex cells
-        strengths[0:TETS_PER_VOXEL] = 10
-        strengths[TETS_PER_VOXEL:2*TETS_PER_VOXEL] = 2
+        # assign random weights
+        strengths = np.random.rand(n_cells*TETS_PER_VOXEL)
 
     # create the spatial distribution based on the mesh
     space = openmc.stats.MeshSpatial(uscd_mesh, strengths, vol_norm)
@@ -120,9 +117,10 @@ def test_unstructured_mesh_sampling(model, test_cases):
 
         n_cells = len(model.geometry.get_all_cells())
 
-        n_samples = 50000
+        n_measurements = 100
+        n_samples = 1000
 
-        cell_counts = np.zeros(n_cells)
+        cell_counts = np.zeros((n_cells, n_measurements))
 
         # This model contains 1000 geometry cells. Each cell is a hex
         # corresponding to 12 of the tets. This test runs 10000 particles. This
@@ -130,25 +128,31 @@ def test_unstructured_mesh_sampling(model, test_cases):
         average_in_hex = n_samples / n_cells
 
         openmc.lib.init([])
-        sites = openmc.lib.sample_external_source(n_samples)
-        cells = [openmc.lib.find_cell(s.r) for s in sites]
+
+        # perform many sets of samples and track counts for each cell
+        for m in range(n_measurements):
+            sites = openmc.lib.sample_external_source(n_samples)
+            cells = [openmc.lib.find_cell(s.r) for s in sites]
+
+            for c in cells:
+                cell_counts[c[0]._index, m] += 1
+
         openmc.lib.finalize()
 
-        for c in cells:
-            cell_counts[c[0]._index] += 1
+        # normalize cell counts to get sampling frequency per particle
+        cell_counts /= n_samples
 
-        if strengths is not None:
-            assert(cell_counts[0] > 0 and cell_counts[1] > 0)
-            assert(cell_counts[0] > cell_counts[1])
+        # get the mean and std. dev. of the cell counts
+        mean = cell_counts.mean(axis=1)
+        std_dev = cell_counts.std(axis=1)
 
-            # counts for all other cells should be zero
-            for i in range(2, len(cell_counts)):
-                assert(cell_counts[i] == 0)
+        if test_cases['source_strengths'] == 'uniform':
+            exp_vals = np.ones(n_cells) / n_cells
         else:
-            # check that the average number of source sites in each cell
-            # is within the expected deviation
-            diff = np.abs(cell_counts - average_in_hex)
+            # sum up the source strengths for each tet, these are the expected true mean
+            # of the sampling frequency for that cell
+            exp_vals = strengths.reshape(-1, 12).sum(axis=1) / sum(strengths)
 
-            assert(np.average(cell_counts) == average_in_hex) # this probably shouldn't be exact???
-            assert((diff < 2*cell_counts.std()).sum() / diff.size >= 0.75)
-            assert((diff < 6*cell_counts.std()).sum() / diff.size >= 0.97)
+        diff = np.abs(mean - exp_vals)
+        assert((diff < 2*std_dev).sum() / diff[:10].size >= 0.95)
+        assert((diff < 6*std_dev).sum() / diff.size >= 0.97)

From eca2a1ad2eefa5c3ee14c63ea612c150330cf781 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Tue, 27 Dec 2022 11:45:11 -0600
Subject: [PATCH 1450/2654] Reworking geometry model.

---
 .../source_sampling/inputs_true0.dat          | 2155 +++++++++--------
 .../source_sampling/inputs_true1.dat          | 2155 +++++++++--------
 .../unstructured_mesh/source_sampling/test.py |   44 +-
 tests/unit_tests/test_source_mesh.py          |   47 +-
 4 files changed, 2274 insertions(+), 2127 deletions(-)

diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true0.dat b/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true0.dat
index 43942c473..dcb56d403 100644
--- a/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true0.dat
+++ b/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true0.dat
@@ -1,1038 +1,1127 @@
 <?xml version='1.0' encoding='utf-8'?>
 <geometry>
-  <cell id="1" material="void" name="x = 0, y = 0, z = 0" region="1 -4 2 -5 3 -6" universe="1" />
-  <cell id="2" material="void" name="x = 1, y = 0, z = 0" region="4 -7 2 -5 3 -6" universe="1" />
-  <cell id="3" material="void" name="x = 2, y = 0, z = 0" region="7 -10 2 -5 3 -6" universe="1" />
-  <cell id="4" material="void" name="x = 3, y = 0, z = 0" region="10 -13 2 -5 3 -6" universe="1" />
-  <cell id="5" material="void" name="x = 4, y = 0, z = 0" region="13 -16 2 -5 3 -6" universe="1" />
-  <cell id="6" material="void" name="x = 5, y = 0, z = 0" region="16 -19 2 -5 3 -6" universe="1" />
-  <cell id="7" material="void" name="x = 6, y = 0, z = 0" region="19 -22 2 -5 3 -6" universe="1" />
-  <cell id="8" material="void" name="x = 7, y = 0, z = 0" region="22 -25 2 -5 3 -6" universe="1" />
-  <cell id="9" material="void" name="x = 8, y = 0, z = 0" region="25 -28 2 -5 3 -6" universe="1" />
-  <cell id="10" material="void" name="x = 9, y = 0, z = 0" region="28 -31 2 -5 3 -6" universe="1" />
-  <cell id="11" material="void" name="x = 0, y = 1, z = 0" region="1 -4 5 -8 3 -6" universe="1" />
-  <cell id="12" material="void" name="x = 1, y = 1, z = 0" region="4 -7 5 -8 3 -6" universe="1" />
-  <cell id="13" material="void" name="x = 2, y = 1, z = 0" region="7 -10 5 -8 3 -6" universe="1" />
-  <cell id="14" material="void" name="x = 3, y = 1, z = 0" region="10 -13 5 -8 3 -6" universe="1" />
-  <cell id="15" material="void" name="x = 4, y = 1, z = 0" region="13 -16 5 -8 3 -6" universe="1" />
-  <cell id="16" material="void" name="x = 5, y = 1, z = 0" region="16 -19 5 -8 3 -6" universe="1" />
-  <cell id="17" material="void" name="x = 6, y = 1, z = 0" region="19 -22 5 -8 3 -6" universe="1" />
-  <cell id="18" material="void" name="x = 7, y = 1, z = 0" region="22 -25 5 -8 3 -6" universe="1" />
-  <cell id="19" material="void" name="x = 8, y = 1, z = 0" region="25 -28 5 -8 3 -6" universe="1" />
-  <cell id="20" material="void" name="x = 9, y = 1, z = 0" region="28 -31 5 -8 3 -6" universe="1" />
-  <cell id="21" material="void" name="x = 0, y = 2, z = 0" region="1 -4 8 -11 3 -6" universe="1" />
-  <cell id="22" material="void" name="x = 1, y = 2, z = 0" region="4 -7 8 -11 3 -6" universe="1" />
-  <cell id="23" material="void" name="x = 2, y = 2, z = 0" region="7 -10 8 -11 3 -6" universe="1" />
-  <cell id="24" material="void" name="x = 3, y = 2, z = 0" region="10 -13 8 -11 3 -6" universe="1" />
-  <cell id="25" material="void" name="x = 4, y = 2, z = 0" region="13 -16 8 -11 3 -6" universe="1" />
-  <cell id="26" material="void" name="x = 5, y = 2, z = 0" region="16 -19 8 -11 3 -6" universe="1" />
-  <cell id="27" material="void" name="x = 6, y = 2, z = 0" region="19 -22 8 -11 3 -6" universe="1" />
-  <cell id="28" material="void" name="x = 7, y = 2, z = 0" region="22 -25 8 -11 3 -6" universe="1" />
-  <cell id="29" material="void" name="x = 8, y = 2, z = 0" region="25 -28 8 -11 3 -6" universe="1" />
-  <cell id="30" material="void" name="x = 9, y = 2, z = 0" region="28 -31 8 -11 3 -6" universe="1" />
-  <cell id="31" material="void" name="x = 0, y = 3, z = 0" region="1 -4 11 -14 3 -6" universe="1" />
-  <cell id="32" material="void" name="x = 1, y = 3, z = 0" region="4 -7 11 -14 3 -6" universe="1" />
-  <cell id="33" material="void" name="x = 2, y = 3, z = 0" region="7 -10 11 -14 3 -6" universe="1" />
-  <cell id="34" material="void" name="x = 3, y = 3, z = 0" region="10 -13 11 -14 3 -6" universe="1" />
-  <cell id="35" material="void" name="x = 4, y = 3, z = 0" region="13 -16 11 -14 3 -6" universe="1" />
-  <cell id="36" material="void" name="x = 5, y = 3, z = 0" region="16 -19 11 -14 3 -6" universe="1" />
-  <cell id="37" material="void" name="x = 6, y = 3, z = 0" region="19 -22 11 -14 3 -6" universe="1" />
-  <cell id="38" material="void" name="x = 7, y = 3, z = 0" region="22 -25 11 -14 3 -6" universe="1" />
-  <cell id="39" material="void" name="x = 8, y = 3, z = 0" region="25 -28 11 -14 3 -6" universe="1" />
-  <cell id="40" material="void" name="x = 9, y = 3, z = 0" region="28 -31 11 -14 3 -6" universe="1" />
-  <cell id="41" material="void" name="x = 0, y = 4, z = 0" region="1 -4 14 -17 3 -6" universe="1" />
-  <cell id="42" material="void" name="x = 1, y = 4, z = 0" region="4 -7 14 -17 3 -6" universe="1" />
-  <cell id="43" material="void" name="x = 2, y = 4, z = 0" region="7 -10 14 -17 3 -6" universe="1" />
-  <cell id="44" material="void" name="x = 3, y = 4, z = 0" region="10 -13 14 -17 3 -6" universe="1" />
-  <cell id="45" material="void" name="x = 4, y = 4, z = 0" region="13 -16 14 -17 3 -6" universe="1" />
-  <cell id="46" material="void" name="x = 5, y = 4, z = 0" region="16 -19 14 -17 3 -6" universe="1" />
-  <cell id="47" material="void" name="x = 6, y = 4, z = 0" region="19 -22 14 -17 3 -6" universe="1" />
-  <cell id="48" material="void" name="x = 7, y = 4, z = 0" region="22 -25 14 -17 3 -6" universe="1" />
-  <cell id="49" material="void" name="x = 8, y = 4, z = 0" region="25 -28 14 -17 3 -6" universe="1" />
-  <cell id="50" material="void" name="x = 9, y = 4, z = 0" region="28 -31 14 -17 3 -6" universe="1" />
-  <cell id="51" material="void" name="x = 0, y = 5, z = 0" region="1 -4 17 -20 3 -6" universe="1" />
-  <cell id="52" material="void" name="x = 1, y = 5, z = 0" region="4 -7 17 -20 3 -6" universe="1" />
-  <cell id="53" material="void" name="x = 2, y = 5, z = 0" region="7 -10 17 -20 3 -6" universe="1" />
-  <cell id="54" material="void" name="x = 3, y = 5, z = 0" region="10 -13 17 -20 3 -6" universe="1" />
-  <cell id="55" material="void" name="x = 4, y = 5, z = 0" region="13 -16 17 -20 3 -6" universe="1" />
-  <cell id="56" material="void" name="x = 5, y = 5, z = 0" region="16 -19 17 -20 3 -6" universe="1" />
-  <cell id="57" material="void" name="x = 6, y = 5, z = 0" region="19 -22 17 -20 3 -6" universe="1" />
-  <cell id="58" material="void" name="x = 7, y = 5, z = 0" region="22 -25 17 -20 3 -6" universe="1" />
-  <cell id="59" material="void" name="x = 8, y = 5, z = 0" region="25 -28 17 -20 3 -6" universe="1" />
-  <cell id="60" material="void" name="x = 9, y = 5, z = 0" region="28 -31 17 -20 3 -6" universe="1" />
-  <cell id="61" material="void" name="x = 0, y = 6, z = 0" region="1 -4 20 -23 3 -6" universe="1" />
-  <cell id="62" material="void" name="x = 1, y = 6, z = 0" region="4 -7 20 -23 3 -6" universe="1" />
-  <cell id="63" material="void" name="x = 2, y = 6, z = 0" region="7 -10 20 -23 3 -6" universe="1" />
-  <cell id="64" material="void" name="x = 3, y = 6, z = 0" region="10 -13 20 -23 3 -6" universe="1" />
-  <cell id="65" material="void" name="x = 4, y = 6, z = 0" region="13 -16 20 -23 3 -6" universe="1" />
-  <cell id="66" material="void" name="x = 5, y = 6, z = 0" region="16 -19 20 -23 3 -6" universe="1" />
-  <cell id="67" material="void" name="x = 6, y = 6, z = 0" region="19 -22 20 -23 3 -6" universe="1" />
-  <cell id="68" material="void" name="x = 7, y = 6, z = 0" region="22 -25 20 -23 3 -6" universe="1" />
-  <cell id="69" material="void" name="x = 8, y = 6, z = 0" region="25 -28 20 -23 3 -6" universe="1" />
-  <cell id="70" material="void" name="x = 9, y = 6, z = 0" region="28 -31 20 -23 3 -6" universe="1" />
-  <cell id="71" material="void" name="x = 0, y = 7, z = 0" region="1 -4 23 -26 3 -6" universe="1" />
-  <cell id="72" material="void" name="x = 1, y = 7, z = 0" region="4 -7 23 -26 3 -6" universe="1" />
-  <cell id="73" material="void" name="x = 2, y = 7, z = 0" region="7 -10 23 -26 3 -6" universe="1" />
-  <cell id="74" material="void" name="x = 3, y = 7, z = 0" region="10 -13 23 -26 3 -6" universe="1" />
-  <cell id="75" material="void" name="x = 4, y = 7, z = 0" region="13 -16 23 -26 3 -6" universe="1" />
-  <cell id="76" material="void" name="x = 5, y = 7, z = 0" region="16 -19 23 -26 3 -6" universe="1" />
-  <cell id="77" material="void" name="x = 6, y = 7, z = 0" region="19 -22 23 -26 3 -6" universe="1" />
-  <cell id="78" material="void" name="x = 7, y = 7, z = 0" region="22 -25 23 -26 3 -6" universe="1" />
-  <cell id="79" material="void" name="x = 8, y = 7, z = 0" region="25 -28 23 -26 3 -6" universe="1" />
-  <cell id="80" material="void" name="x = 9, y = 7, z = 0" region="28 -31 23 -26 3 -6" universe="1" />
-  <cell id="81" material="void" name="x = 0, y = 8, z = 0" region="1 -4 26 -29 3 -6" universe="1" />
-  <cell id="82" material="void" name="x = 1, y = 8, z = 0" region="4 -7 26 -29 3 -6" universe="1" />
-  <cell id="83" material="void" name="x = 2, y = 8, z = 0" region="7 -10 26 -29 3 -6" universe="1" />
-  <cell id="84" material="void" name="x = 3, y = 8, z = 0" region="10 -13 26 -29 3 -6" universe="1" />
-  <cell id="85" material="void" name="x = 4, y = 8, z = 0" region="13 -16 26 -29 3 -6" universe="1" />
-  <cell id="86" material="void" name="x = 5, y = 8, z = 0" region="16 -19 26 -29 3 -6" universe="1" />
-  <cell id="87" material="void" name="x = 6, y = 8, z = 0" region="19 -22 26 -29 3 -6" universe="1" />
-  <cell id="88" material="void" name="x = 7, y = 8, z = 0" region="22 -25 26 -29 3 -6" universe="1" />
-  <cell id="89" material="void" name="x = 8, y = 8, z = 0" region="25 -28 26 -29 3 -6" universe="1" />
-  <cell id="90" material="void" name="x = 9, y = 8, z = 0" region="28 -31 26 -29 3 -6" universe="1" />
-  <cell id="91" material="void" name="x = 0, y = 9, z = 0" region="1 -4 29 -32 3 -6" universe="1" />
-  <cell id="92" material="void" name="x = 1, y = 9, z = 0" region="4 -7 29 -32 3 -6" universe="1" />
-  <cell id="93" material="void" name="x = 2, y = 9, z = 0" region="7 -10 29 -32 3 -6" universe="1" />
-  <cell id="94" material="void" name="x = 3, y = 9, z = 0" region="10 -13 29 -32 3 -6" universe="1" />
-  <cell id="95" material="void" name="x = 4, y = 9, z = 0" region="13 -16 29 -32 3 -6" universe="1" />
-  <cell id="96" material="void" name="x = 5, y = 9, z = 0" region="16 -19 29 -32 3 -6" universe="1" />
-  <cell id="97" material="void" name="x = 6, y = 9, z = 0" region="19 -22 29 -32 3 -6" universe="1" />
-  <cell id="98" material="void" name="x = 7, y = 9, z = 0" region="22 -25 29 -32 3 -6" universe="1" />
-  <cell id="99" material="void" name="x = 8, y = 9, z = 0" region="25 -28 29 -32 3 -6" universe="1" />
-  <cell id="100" material="void" name="x = 9, y = 9, z = 0" region="28 -31 29 -32 3 -6" universe="1" />
-  <cell id="101" material="void" name="x = 0, y = 0, z = 1" region="1 -4 2 -5 6 -9" universe="1" />
-  <cell id="102" material="void" name="x = 1, y = 0, z = 1" region="4 -7 2 -5 6 -9" universe="1" />
-  <cell id="103" material="void" name="x = 2, y = 0, z = 1" region="7 -10 2 -5 6 -9" universe="1" />
-  <cell id="104" material="void" name="x = 3, y = 0, z = 1" region="10 -13 2 -5 6 -9" universe="1" />
-  <cell id="105" material="void" name="x = 4, y = 0, z = 1" region="13 -16 2 -5 6 -9" universe="1" />
-  <cell id="106" material="void" name="x = 5, y = 0, z = 1" region="16 -19 2 -5 6 -9" universe="1" />
-  <cell id="107" material="void" name="x = 6, y = 0, z = 1" region="19 -22 2 -5 6 -9" universe="1" />
-  <cell id="108" material="void" name="x = 7, y = 0, z = 1" region="22 -25 2 -5 6 -9" universe="1" />
-  <cell id="109" material="void" name="x = 8, y = 0, z = 1" region="25 -28 2 -5 6 -9" universe="1" />
-  <cell id="110" material="void" name="x = 9, y = 0, z = 1" region="28 -31 2 -5 6 -9" universe="1" />
-  <cell id="111" material="void" name="x = 0, y = 1, z = 1" region="1 -4 5 -8 6 -9" universe="1" />
-  <cell id="112" material="void" name="x = 1, y = 1, z = 1" region="4 -7 5 -8 6 -9" universe="1" />
-  <cell id="113" material="void" name="x = 2, y = 1, z = 1" region="7 -10 5 -8 6 -9" universe="1" />
-  <cell id="114" material="void" name="x = 3, y = 1, z = 1" region="10 -13 5 -8 6 -9" universe="1" />
-  <cell id="115" material="void" name="x = 4, y = 1, z = 1" region="13 -16 5 -8 6 -9" universe="1" />
-  <cell id="116" material="void" name="x = 5, y = 1, z = 1" region="16 -19 5 -8 6 -9" universe="1" />
-  <cell id="117" material="void" name="x = 6, y = 1, z = 1" region="19 -22 5 -8 6 -9" universe="1" />
-  <cell id="118" material="void" name="x = 7, y = 1, z = 1" region="22 -25 5 -8 6 -9" universe="1" />
-  <cell id="119" material="void" name="x = 8, y = 1, z = 1" region="25 -28 5 -8 6 -9" universe="1" />
-  <cell id="120" material="void" name="x = 9, y = 1, z = 1" region="28 -31 5 -8 6 -9" universe="1" />
-  <cell id="121" material="void" name="x = 0, y = 2, z = 1" region="1 -4 8 -11 6 -9" universe="1" />
-  <cell id="122" material="void" name="x = 1, y = 2, z = 1" region="4 -7 8 -11 6 -9" universe="1" />
-  <cell id="123" material="void" name="x = 2, y = 2, z = 1" region="7 -10 8 -11 6 -9" universe="1" />
-  <cell id="124" material="void" name="x = 3, y = 2, z = 1" region="10 -13 8 -11 6 -9" universe="1" />
-  <cell id="125" material="void" name="x = 4, y = 2, z = 1" region="13 -16 8 -11 6 -9" universe="1" />
-  <cell id="126" material="void" name="x = 5, y = 2, z = 1" region="16 -19 8 -11 6 -9" universe="1" />
-  <cell id="127" material="void" name="x = 6, y = 2, z = 1" region="19 -22 8 -11 6 -9" universe="1" />
-  <cell id="128" material="void" name="x = 7, y = 2, z = 1" region="22 -25 8 -11 6 -9" universe="1" />
-  <cell id="129" material="void" name="x = 8, y = 2, z = 1" region="25 -28 8 -11 6 -9" universe="1" />
-  <cell id="130" material="void" name="x = 9, y = 2, z = 1" region="28 -31 8 -11 6 -9" universe="1" />
-  <cell id="131" material="void" name="x = 0, y = 3, z = 1" region="1 -4 11 -14 6 -9" universe="1" />
-  <cell id="132" material="void" name="x = 1, y = 3, z = 1" region="4 -7 11 -14 6 -9" universe="1" />
-  <cell id="133" material="void" name="x = 2, y = 3, z = 1" region="7 -10 11 -14 6 -9" universe="1" />
-  <cell id="134" material="void" name="x = 3, y = 3, z = 1" region="10 -13 11 -14 6 -9" universe="1" />
-  <cell id="135" material="void" name="x = 4, y = 3, z = 1" region="13 -16 11 -14 6 -9" universe="1" />
-  <cell id="136" material="void" name="x = 5, y = 3, z = 1" region="16 -19 11 -14 6 -9" universe="1" />
-  <cell id="137" material="void" name="x = 6, y = 3, z = 1" region="19 -22 11 -14 6 -9" universe="1" />
-  <cell id="138" material="void" name="x = 7, y = 3, z = 1" region="22 -25 11 -14 6 -9" universe="1" />
-  <cell id="139" material="void" name="x = 8, y = 3, z = 1" region="25 -28 11 -14 6 -9" universe="1" />
-  <cell id="140" material="void" name="x = 9, y = 3, z = 1" region="28 -31 11 -14 6 -9" universe="1" />
-  <cell id="141" material="void" name="x = 0, y = 4, z = 1" region="1 -4 14 -17 6 -9" universe="1" />
-  <cell id="142" material="void" name="x = 1, y = 4, z = 1" region="4 -7 14 -17 6 -9" universe="1" />
-  <cell id="143" material="void" name="x = 2, y = 4, z = 1" region="7 -10 14 -17 6 -9" universe="1" />
-  <cell id="144" material="void" name="x = 3, y = 4, z = 1" region="10 -13 14 -17 6 -9" universe="1" />
-  <cell id="145" material="void" name="x = 4, y = 4, z = 1" region="13 -16 14 -17 6 -9" universe="1" />
-  <cell id="146" material="void" name="x = 5, y = 4, z = 1" region="16 -19 14 -17 6 -9" universe="1" />
-  <cell id="147" material="void" name="x = 6, y = 4, z = 1" region="19 -22 14 -17 6 -9" universe="1" />
-  <cell id="148" material="void" name="x = 7, y = 4, z = 1" region="22 -25 14 -17 6 -9" universe="1" />
-  <cell id="149" material="void" name="x = 8, y = 4, z = 1" region="25 -28 14 -17 6 -9" universe="1" />
-  <cell id="150" material="void" name="x = 9, y = 4, z = 1" region="28 -31 14 -17 6 -9" universe="1" />
-  <cell id="151" material="void" name="x = 0, y = 5, z = 1" region="1 -4 17 -20 6 -9" universe="1" />
-  <cell id="152" material="void" name="x = 1, y = 5, z = 1" region="4 -7 17 -20 6 -9" universe="1" />
-  <cell id="153" material="void" name="x = 2, y = 5, z = 1" region="7 -10 17 -20 6 -9" universe="1" />
-  <cell id="154" material="void" name="x = 3, y = 5, z = 1" region="10 -13 17 -20 6 -9" universe="1" />
-  <cell id="155" material="void" name="x = 4, y = 5, z = 1" region="13 -16 17 -20 6 -9" universe="1" />
-  <cell id="156" material="void" name="x = 5, y = 5, z = 1" region="16 -19 17 -20 6 -9" universe="1" />
-  <cell id="157" material="void" name="x = 6, y = 5, z = 1" region="19 -22 17 -20 6 -9" universe="1" />
-  <cell id="158" material="void" name="x = 7, y = 5, z = 1" region="22 -25 17 -20 6 -9" universe="1" />
-  <cell id="159" material="void" name="x = 8, y = 5, z = 1" region="25 -28 17 -20 6 -9" universe="1" />
-  <cell id="160" material="void" name="x = 9, y = 5, z = 1" region="28 -31 17 -20 6 -9" universe="1" />
-  <cell id="161" material="void" name="x = 0, y = 6, z = 1" region="1 -4 20 -23 6 -9" universe="1" />
-  <cell id="162" material="void" name="x = 1, y = 6, z = 1" region="4 -7 20 -23 6 -9" universe="1" />
-  <cell id="163" material="void" name="x = 2, y = 6, z = 1" region="7 -10 20 -23 6 -9" universe="1" />
-  <cell id="164" material="void" name="x = 3, y = 6, z = 1" region="10 -13 20 -23 6 -9" universe="1" />
-  <cell id="165" material="void" name="x = 4, y = 6, z = 1" region="13 -16 20 -23 6 -9" universe="1" />
-  <cell id="166" material="void" name="x = 5, y = 6, z = 1" region="16 -19 20 -23 6 -9" universe="1" />
-  <cell id="167" material="void" name="x = 6, y = 6, z = 1" region="19 -22 20 -23 6 -9" universe="1" />
-  <cell id="168" material="void" name="x = 7, y = 6, z = 1" region="22 -25 20 -23 6 -9" universe="1" />
-  <cell id="169" material="void" name="x = 8, y = 6, z = 1" region="25 -28 20 -23 6 -9" universe="1" />
-  <cell id="170" material="void" name="x = 9, y = 6, z = 1" region="28 -31 20 -23 6 -9" universe="1" />
-  <cell id="171" material="void" name="x = 0, y = 7, z = 1" region="1 -4 23 -26 6 -9" universe="1" />
-  <cell id="172" material="void" name="x = 1, y = 7, z = 1" region="4 -7 23 -26 6 -9" universe="1" />
-  <cell id="173" material="void" name="x = 2, y = 7, z = 1" region="7 -10 23 -26 6 -9" universe="1" />
-  <cell id="174" material="void" name="x = 3, y = 7, z = 1" region="10 -13 23 -26 6 -9" universe="1" />
-  <cell id="175" material="void" name="x = 4, y = 7, z = 1" region="13 -16 23 -26 6 -9" universe="1" />
-  <cell id="176" material="void" name="x = 5, y = 7, z = 1" region="16 -19 23 -26 6 -9" universe="1" />
-  <cell id="177" material="void" name="x = 6, y = 7, z = 1" region="19 -22 23 -26 6 -9" universe="1" />
-  <cell id="178" material="void" name="x = 7, y = 7, z = 1" region="22 -25 23 -26 6 -9" universe="1" />
-  <cell id="179" material="void" name="x = 8, y = 7, z = 1" region="25 -28 23 -26 6 -9" universe="1" />
-  <cell id="180" material="void" name="x = 9, y = 7, z = 1" region="28 -31 23 -26 6 -9" universe="1" />
-  <cell id="181" material="void" name="x = 0, y = 8, z = 1" region="1 -4 26 -29 6 -9" universe="1" />
-  <cell id="182" material="void" name="x = 1, y = 8, z = 1" region="4 -7 26 -29 6 -9" universe="1" />
-  <cell id="183" material="void" name="x = 2, y = 8, z = 1" region="7 -10 26 -29 6 -9" universe="1" />
-  <cell id="184" material="void" name="x = 3, y = 8, z = 1" region="10 -13 26 -29 6 -9" universe="1" />
-  <cell id="185" material="void" name="x = 4, y = 8, z = 1" region="13 -16 26 -29 6 -9" universe="1" />
-  <cell id="186" material="void" name="x = 5, y = 8, z = 1" region="16 -19 26 -29 6 -9" universe="1" />
-  <cell id="187" material="void" name="x = 6, y = 8, z = 1" region="19 -22 26 -29 6 -9" universe="1" />
-  <cell id="188" material="void" name="x = 7, y = 8, z = 1" region="22 -25 26 -29 6 -9" universe="1" />
-  <cell id="189" material="void" name="x = 8, y = 8, z = 1" region="25 -28 26 -29 6 -9" universe="1" />
-  <cell id="190" material="void" name="x = 9, y = 8, z = 1" region="28 -31 26 -29 6 -9" universe="1" />
-  <cell id="191" material="void" name="x = 0, y = 9, z = 1" region="1 -4 29 -32 6 -9" universe="1" />
-  <cell id="192" material="void" name="x = 1, y = 9, z = 1" region="4 -7 29 -32 6 -9" universe="1" />
-  <cell id="193" material="void" name="x = 2, y = 9, z = 1" region="7 -10 29 -32 6 -9" universe="1" />
-  <cell id="194" material="void" name="x = 3, y = 9, z = 1" region="10 -13 29 -32 6 -9" universe="1" />
-  <cell id="195" material="void" name="x = 4, y = 9, z = 1" region="13 -16 29 -32 6 -9" universe="1" />
-  <cell id="196" material="void" name="x = 5, y = 9, z = 1" region="16 -19 29 -32 6 -9" universe="1" />
-  <cell id="197" material="void" name="x = 6, y = 9, z = 1" region="19 -22 29 -32 6 -9" universe="1" />
-  <cell id="198" material="void" name="x = 7, y = 9, z = 1" region="22 -25 29 -32 6 -9" universe="1" />
-  <cell id="199" material="void" name="x = 8, y = 9, z = 1" region="25 -28 29 -32 6 -9" universe="1" />
-  <cell id="200" material="void" name="x = 9, y = 9, z = 1" region="28 -31 29 -32 6 -9" universe="1" />
-  <cell id="201" material="void" name="x = 0, y = 0, z = 2" region="1 -4 2 -5 9 -12" universe="1" />
-  <cell id="202" material="void" name="x = 1, y = 0, z = 2" region="4 -7 2 -5 9 -12" universe="1" />
-  <cell id="203" material="void" name="x = 2, y = 0, z = 2" region="7 -10 2 -5 9 -12" universe="1" />
-  <cell id="204" material="void" name="x = 3, y = 0, z = 2" region="10 -13 2 -5 9 -12" universe="1" />
-  <cell id="205" material="void" name="x = 4, y = 0, z = 2" region="13 -16 2 -5 9 -12" universe="1" />
-  <cell id="206" material="void" name="x = 5, y = 0, z = 2" region="16 -19 2 -5 9 -12" universe="1" />
-  <cell id="207" material="void" name="x = 6, y = 0, z = 2" region="19 -22 2 -5 9 -12" universe="1" />
-  <cell id="208" material="void" name="x = 7, y = 0, z = 2" region="22 -25 2 -5 9 -12" universe="1" />
-  <cell id="209" material="void" name="x = 8, y = 0, z = 2" region="25 -28 2 -5 9 -12" universe="1" />
-  <cell id="210" material="void" name="x = 9, y = 0, z = 2" region="28 -31 2 -5 9 -12" universe="1" />
-  <cell id="211" material="void" name="x = 0, y = 1, z = 2" region="1 -4 5 -8 9 -12" universe="1" />
-  <cell id="212" material="void" name="x = 1, y = 1, z = 2" region="4 -7 5 -8 9 -12" universe="1" />
-  <cell id="213" material="void" name="x = 2, y = 1, z = 2" region="7 -10 5 -8 9 -12" universe="1" />
-  <cell id="214" material="void" name="x = 3, y = 1, z = 2" region="10 -13 5 -8 9 -12" universe="1" />
-  <cell id="215" material="void" name="x = 4, y = 1, z = 2" region="13 -16 5 -8 9 -12" universe="1" />
-  <cell id="216" material="void" name="x = 5, y = 1, z = 2" region="16 -19 5 -8 9 -12" universe="1" />
-  <cell id="217" material="void" name="x = 6, y = 1, z = 2" region="19 -22 5 -8 9 -12" universe="1" />
-  <cell id="218" material="void" name="x = 7, y = 1, z = 2" region="22 -25 5 -8 9 -12" universe="1" />
-  <cell id="219" material="void" name="x = 8, y = 1, z = 2" region="25 -28 5 -8 9 -12" universe="1" />
-  <cell id="220" material="void" name="x = 9, y = 1, z = 2" region="28 -31 5 -8 9 -12" universe="1" />
-  <cell id="221" material="void" name="x = 0, y = 2, z = 2" region="1 -4 8 -11 9 -12" universe="1" />
-  <cell id="222" material="void" name="x = 1, y = 2, z = 2" region="4 -7 8 -11 9 -12" universe="1" />
-  <cell id="223" material="void" name="x = 2, y = 2, z = 2" region="7 -10 8 -11 9 -12" universe="1" />
-  <cell id="224" material="void" name="x = 3, y = 2, z = 2" region="10 -13 8 -11 9 -12" universe="1" />
-  <cell id="225" material="void" name="x = 4, y = 2, z = 2" region="13 -16 8 -11 9 -12" universe="1" />
-  <cell id="226" material="void" name="x = 5, y = 2, z = 2" region="16 -19 8 -11 9 -12" universe="1" />
-  <cell id="227" material="void" name="x = 6, y = 2, z = 2" region="19 -22 8 -11 9 -12" universe="1" />
-  <cell id="228" material="void" name="x = 7, y = 2, z = 2" region="22 -25 8 -11 9 -12" universe="1" />
-  <cell id="229" material="void" name="x = 8, y = 2, z = 2" region="25 -28 8 -11 9 -12" universe="1" />
-  <cell id="230" material="void" name="x = 9, y = 2, z = 2" region="28 -31 8 -11 9 -12" universe="1" />
-  <cell id="231" material="void" name="x = 0, y = 3, z = 2" region="1 -4 11 -14 9 -12" universe="1" />
-  <cell id="232" material="void" name="x = 1, y = 3, z = 2" region="4 -7 11 -14 9 -12" universe="1" />
-  <cell id="233" material="void" name="x = 2, y = 3, z = 2" region="7 -10 11 -14 9 -12" universe="1" />
-  <cell id="234" material="void" name="x = 3, y = 3, z = 2" region="10 -13 11 -14 9 -12" universe="1" />
-  <cell id="235" material="void" name="x = 4, y = 3, z = 2" region="13 -16 11 -14 9 -12" universe="1" />
-  <cell id="236" material="void" name="x = 5, y = 3, z = 2" region="16 -19 11 -14 9 -12" universe="1" />
-  <cell id="237" material="void" name="x = 6, y = 3, z = 2" region="19 -22 11 -14 9 -12" universe="1" />
-  <cell id="238" material="void" name="x = 7, y = 3, z = 2" region="22 -25 11 -14 9 -12" universe="1" />
-  <cell id="239" material="void" name="x = 8, y = 3, z = 2" region="25 -28 11 -14 9 -12" universe="1" />
-  <cell id="240" material="void" name="x = 9, y = 3, z = 2" region="28 -31 11 -14 9 -12" universe="1" />
-  <cell id="241" material="void" name="x = 0, y = 4, z = 2" region="1 -4 14 -17 9 -12" universe="1" />
-  <cell id="242" material="void" name="x = 1, y = 4, z = 2" region="4 -7 14 -17 9 -12" universe="1" />
-  <cell id="243" material="void" name="x = 2, y = 4, z = 2" region="7 -10 14 -17 9 -12" universe="1" />
-  <cell id="244" material="void" name="x = 3, y = 4, z = 2" region="10 -13 14 -17 9 -12" universe="1" />
-  <cell id="245" material="void" name="x = 4, y = 4, z = 2" region="13 -16 14 -17 9 -12" universe="1" />
-  <cell id="246" material="void" name="x = 5, y = 4, z = 2" region="16 -19 14 -17 9 -12" universe="1" />
-  <cell id="247" material="void" name="x = 6, y = 4, z = 2" region="19 -22 14 -17 9 -12" universe="1" />
-  <cell id="248" material="void" name="x = 7, y = 4, z = 2" region="22 -25 14 -17 9 -12" universe="1" />
-  <cell id="249" material="void" name="x = 8, y = 4, z = 2" region="25 -28 14 -17 9 -12" universe="1" />
-  <cell id="250" material="void" name="x = 9, y = 4, z = 2" region="28 -31 14 -17 9 -12" universe="1" />
-  <cell id="251" material="void" name="x = 0, y = 5, z = 2" region="1 -4 17 -20 9 -12" universe="1" />
-  <cell id="252" material="void" name="x = 1, y = 5, z = 2" region="4 -7 17 -20 9 -12" universe="1" />
-  <cell id="253" material="void" name="x = 2, y = 5, z = 2" region="7 -10 17 -20 9 -12" universe="1" />
-  <cell id="254" material="void" name="x = 3, y = 5, z = 2" region="10 -13 17 -20 9 -12" universe="1" />
-  <cell id="255" material="void" name="x = 4, y = 5, z = 2" region="13 -16 17 -20 9 -12" universe="1" />
-  <cell id="256" material="void" name="x = 5, y = 5, z = 2" region="16 -19 17 -20 9 -12" universe="1" />
-  <cell id="257" material="void" name="x = 6, y = 5, z = 2" region="19 -22 17 -20 9 -12" universe="1" />
-  <cell id="258" material="void" name="x = 7, y = 5, z = 2" region="22 -25 17 -20 9 -12" universe="1" />
-  <cell id="259" material="void" name="x = 8, y = 5, z = 2" region="25 -28 17 -20 9 -12" universe="1" />
-  <cell id="260" material="void" name="x = 9, y = 5, z = 2" region="28 -31 17 -20 9 -12" universe="1" />
-  <cell id="261" material="void" name="x = 0, y = 6, z = 2" region="1 -4 20 -23 9 -12" universe="1" />
-  <cell id="262" material="void" name="x = 1, y = 6, z = 2" region="4 -7 20 -23 9 -12" universe="1" />
-  <cell id="263" material="void" name="x = 2, y = 6, z = 2" region="7 -10 20 -23 9 -12" universe="1" />
-  <cell id="264" material="void" name="x = 3, y = 6, z = 2" region="10 -13 20 -23 9 -12" universe="1" />
-  <cell id="265" material="void" name="x = 4, y = 6, z = 2" region="13 -16 20 -23 9 -12" universe="1" />
-  <cell id="266" material="void" name="x = 5, y = 6, z = 2" region="16 -19 20 -23 9 -12" universe="1" />
-  <cell id="267" material="void" name="x = 6, y = 6, z = 2" region="19 -22 20 -23 9 -12" universe="1" />
-  <cell id="268" material="void" name="x = 7, y = 6, z = 2" region="22 -25 20 -23 9 -12" universe="1" />
-  <cell id="269" material="void" name="x = 8, y = 6, z = 2" region="25 -28 20 -23 9 -12" universe="1" />
-  <cell id="270" material="void" name="x = 9, y = 6, z = 2" region="28 -31 20 -23 9 -12" universe="1" />
-  <cell id="271" material="void" name="x = 0, y = 7, z = 2" region="1 -4 23 -26 9 -12" universe="1" />
-  <cell id="272" material="void" name="x = 1, y = 7, z = 2" region="4 -7 23 -26 9 -12" universe="1" />
-  <cell id="273" material="void" name="x = 2, y = 7, z = 2" region="7 -10 23 -26 9 -12" universe="1" />
-  <cell id="274" material="void" name="x = 3, y = 7, z = 2" region="10 -13 23 -26 9 -12" universe="1" />
-  <cell id="275" material="void" name="x = 4, y = 7, z = 2" region="13 -16 23 -26 9 -12" universe="1" />
-  <cell id="276" material="void" name="x = 5, y = 7, z = 2" region="16 -19 23 -26 9 -12" universe="1" />
-  <cell id="277" material="void" name="x = 6, y = 7, z = 2" region="19 -22 23 -26 9 -12" universe="1" />
-  <cell id="278" material="void" name="x = 7, y = 7, z = 2" region="22 -25 23 -26 9 -12" universe="1" />
-  <cell id="279" material="void" name="x = 8, y = 7, z = 2" region="25 -28 23 -26 9 -12" universe="1" />
-  <cell id="280" material="void" name="x = 9, y = 7, z = 2" region="28 -31 23 -26 9 -12" universe="1" />
-  <cell id="281" material="void" name="x = 0, y = 8, z = 2" region="1 -4 26 -29 9 -12" universe="1" />
-  <cell id="282" material="void" name="x = 1, y = 8, z = 2" region="4 -7 26 -29 9 -12" universe="1" />
-  <cell id="283" material="void" name="x = 2, y = 8, z = 2" region="7 -10 26 -29 9 -12" universe="1" />
-  <cell id="284" material="void" name="x = 3, y = 8, z = 2" region="10 -13 26 -29 9 -12" universe="1" />
-  <cell id="285" material="void" name="x = 4, y = 8, z = 2" region="13 -16 26 -29 9 -12" universe="1" />
-  <cell id="286" material="void" name="x = 5, y = 8, z = 2" region="16 -19 26 -29 9 -12" universe="1" />
-  <cell id="287" material="void" name="x = 6, y = 8, z = 2" region="19 -22 26 -29 9 -12" universe="1" />
-  <cell id="288" material="void" name="x = 7, y = 8, z = 2" region="22 -25 26 -29 9 -12" universe="1" />
-  <cell id="289" material="void" name="x = 8, y = 8, z = 2" region="25 -28 26 -29 9 -12" universe="1" />
-  <cell id="290" material="void" name="x = 9, y = 8, z = 2" region="28 -31 26 -29 9 -12" universe="1" />
-  <cell id="291" material="void" name="x = 0, y = 9, z = 2" region="1 -4 29 -32 9 -12" universe="1" />
-  <cell id="292" material="void" name="x = 1, y = 9, z = 2" region="4 -7 29 -32 9 -12" universe="1" />
-  <cell id="293" material="void" name="x = 2, y = 9, z = 2" region="7 -10 29 -32 9 -12" universe="1" />
-  <cell id="294" material="void" name="x = 3, y = 9, z = 2" region="10 -13 29 -32 9 -12" universe="1" />
-  <cell id="295" material="void" name="x = 4, y = 9, z = 2" region="13 -16 29 -32 9 -12" universe="1" />
-  <cell id="296" material="void" name="x = 5, y = 9, z = 2" region="16 -19 29 -32 9 -12" universe="1" />
-  <cell id="297" material="void" name="x = 6, y = 9, z = 2" region="19 -22 29 -32 9 -12" universe="1" />
-  <cell id="298" material="void" name="x = 7, y = 9, z = 2" region="22 -25 29 -32 9 -12" universe="1" />
-  <cell id="299" material="void" name="x = 8, y = 9, z = 2" region="25 -28 29 -32 9 -12" universe="1" />
-  <cell id="300" material="void" name="x = 9, y = 9, z = 2" region="28 -31 29 -32 9 -12" universe="1" />
-  <cell id="301" material="void" name="x = 0, y = 0, z = 3" region="1 -4 2 -5 12 -15" universe="1" />
-  <cell id="302" material="void" name="x = 1, y = 0, z = 3" region="4 -7 2 -5 12 -15" universe="1" />
-  <cell id="303" material="void" name="x = 2, y = 0, z = 3" region="7 -10 2 -5 12 -15" universe="1" />
-  <cell id="304" material="void" name="x = 3, y = 0, z = 3" region="10 -13 2 -5 12 -15" universe="1" />
-  <cell id="305" material="void" name="x = 4, y = 0, z = 3" region="13 -16 2 -5 12 -15" universe="1" />
-  <cell id="306" material="void" name="x = 5, y = 0, z = 3" region="16 -19 2 -5 12 -15" universe="1" />
-  <cell id="307" material="void" name="x = 6, y = 0, z = 3" region="19 -22 2 -5 12 -15" universe="1" />
-  <cell id="308" material="void" name="x = 7, y = 0, z = 3" region="22 -25 2 -5 12 -15" universe="1" />
-  <cell id="309" material="void" name="x = 8, y = 0, z = 3" region="25 -28 2 -5 12 -15" universe="1" />
-  <cell id="310" material="void" name="x = 9, y = 0, z = 3" region="28 -31 2 -5 12 -15" universe="1" />
-  <cell id="311" material="void" name="x = 0, y = 1, z = 3" region="1 -4 5 -8 12 -15" universe="1" />
-  <cell id="312" material="void" name="x = 1, y = 1, z = 3" region="4 -7 5 -8 12 -15" universe="1" />
-  <cell id="313" material="void" name="x = 2, y = 1, z = 3" region="7 -10 5 -8 12 -15" universe="1" />
-  <cell id="314" material="void" name="x = 3, y = 1, z = 3" region="10 -13 5 -8 12 -15" universe="1" />
-  <cell id="315" material="void" name="x = 4, y = 1, z = 3" region="13 -16 5 -8 12 -15" universe="1" />
-  <cell id="316" material="void" name="x = 5, y = 1, z = 3" region="16 -19 5 -8 12 -15" universe="1" />
-  <cell id="317" material="void" name="x = 6, y = 1, z = 3" region="19 -22 5 -8 12 -15" universe="1" />
-  <cell id="318" material="void" name="x = 7, y = 1, z = 3" region="22 -25 5 -8 12 -15" universe="1" />
-  <cell id="319" material="void" name="x = 8, y = 1, z = 3" region="25 -28 5 -8 12 -15" universe="1" />
-  <cell id="320" material="void" name="x = 9, y = 1, z = 3" region="28 -31 5 -8 12 -15" universe="1" />
-  <cell id="321" material="void" name="x = 0, y = 2, z = 3" region="1 -4 8 -11 12 -15" universe="1" />
-  <cell id="322" material="void" name="x = 1, y = 2, z = 3" region="4 -7 8 -11 12 -15" universe="1" />
-  <cell id="323" material="void" name="x = 2, y = 2, z = 3" region="7 -10 8 -11 12 -15" universe="1" />
-  <cell id="324" material="void" name="x = 3, y = 2, z = 3" region="10 -13 8 -11 12 -15" universe="1" />
-  <cell id="325" material="void" name="x = 4, y = 2, z = 3" region="13 -16 8 -11 12 -15" universe="1" />
-  <cell id="326" material="void" name="x = 5, y = 2, z = 3" region="16 -19 8 -11 12 -15" universe="1" />
-  <cell id="327" material="void" name="x = 6, y = 2, z = 3" region="19 -22 8 -11 12 -15" universe="1" />
-  <cell id="328" material="void" name="x = 7, y = 2, z = 3" region="22 -25 8 -11 12 -15" universe="1" />
-  <cell id="329" material="void" name="x = 8, y = 2, z = 3" region="25 -28 8 -11 12 -15" universe="1" />
-  <cell id="330" material="void" name="x = 9, y = 2, z = 3" region="28 -31 8 -11 12 -15" universe="1" />
-  <cell id="331" material="void" name="x = 0, y = 3, z = 3" region="1 -4 11 -14 12 -15" universe="1" />
-  <cell id="332" material="void" name="x = 1, y = 3, z = 3" region="4 -7 11 -14 12 -15" universe="1" />
-  <cell id="333" material="void" name="x = 2, y = 3, z = 3" region="7 -10 11 -14 12 -15" universe="1" />
-  <cell id="334" material="void" name="x = 3, y = 3, z = 3" region="10 -13 11 -14 12 -15" universe="1" />
-  <cell id="335" material="void" name="x = 4, y = 3, z = 3" region="13 -16 11 -14 12 -15" universe="1" />
-  <cell id="336" material="void" name="x = 5, y = 3, z = 3" region="16 -19 11 -14 12 -15" universe="1" />
-  <cell id="337" material="void" name="x = 6, y = 3, z = 3" region="19 -22 11 -14 12 -15" universe="1" />
-  <cell id="338" material="void" name="x = 7, y = 3, z = 3" region="22 -25 11 -14 12 -15" universe="1" />
-  <cell id="339" material="void" name="x = 8, y = 3, z = 3" region="25 -28 11 -14 12 -15" universe="1" />
-  <cell id="340" material="void" name="x = 9, y = 3, z = 3" region="28 -31 11 -14 12 -15" universe="1" />
-  <cell id="341" material="void" name="x = 0, y = 4, z = 3" region="1 -4 14 -17 12 -15" universe="1" />
-  <cell id="342" material="void" name="x = 1, y = 4, z = 3" region="4 -7 14 -17 12 -15" universe="1" />
-  <cell id="343" material="void" name="x = 2, y = 4, z = 3" region="7 -10 14 -17 12 -15" universe="1" />
-  <cell id="344" material="void" name="x = 3, y = 4, z = 3" region="10 -13 14 -17 12 -15" universe="1" />
-  <cell id="345" material="void" name="x = 4, y = 4, z = 3" region="13 -16 14 -17 12 -15" universe="1" />
-  <cell id="346" material="void" name="x = 5, y = 4, z = 3" region="16 -19 14 -17 12 -15" universe="1" />
-  <cell id="347" material="void" name="x = 6, y = 4, z = 3" region="19 -22 14 -17 12 -15" universe="1" />
-  <cell id="348" material="void" name="x = 7, y = 4, z = 3" region="22 -25 14 -17 12 -15" universe="1" />
-  <cell id="349" material="void" name="x = 8, y = 4, z = 3" region="25 -28 14 -17 12 -15" universe="1" />
-  <cell id="350" material="void" name="x = 9, y = 4, z = 3" region="28 -31 14 -17 12 -15" universe="1" />
-  <cell id="351" material="void" name="x = 0, y = 5, z = 3" region="1 -4 17 -20 12 -15" universe="1" />
-  <cell id="352" material="void" name="x = 1, y = 5, z = 3" region="4 -7 17 -20 12 -15" universe="1" />
-  <cell id="353" material="void" name="x = 2, y = 5, z = 3" region="7 -10 17 -20 12 -15" universe="1" />
-  <cell id="354" material="void" name="x = 3, y = 5, z = 3" region="10 -13 17 -20 12 -15" universe="1" />
-  <cell id="355" material="void" name="x = 4, y = 5, z = 3" region="13 -16 17 -20 12 -15" universe="1" />
-  <cell id="356" material="void" name="x = 5, y = 5, z = 3" region="16 -19 17 -20 12 -15" universe="1" />
-  <cell id="357" material="void" name="x = 6, y = 5, z = 3" region="19 -22 17 -20 12 -15" universe="1" />
-  <cell id="358" material="void" name="x = 7, y = 5, z = 3" region="22 -25 17 -20 12 -15" universe="1" />
-  <cell id="359" material="void" name="x = 8, y = 5, z = 3" region="25 -28 17 -20 12 -15" universe="1" />
-  <cell id="360" material="void" name="x = 9, y = 5, z = 3" region="28 -31 17 -20 12 -15" universe="1" />
-  <cell id="361" material="void" name="x = 0, y = 6, z = 3" region="1 -4 20 -23 12 -15" universe="1" />
-  <cell id="362" material="void" name="x = 1, y = 6, z = 3" region="4 -7 20 -23 12 -15" universe="1" />
-  <cell id="363" material="void" name="x = 2, y = 6, z = 3" region="7 -10 20 -23 12 -15" universe="1" />
-  <cell id="364" material="void" name="x = 3, y = 6, z = 3" region="10 -13 20 -23 12 -15" universe="1" />
-  <cell id="365" material="void" name="x = 4, y = 6, z = 3" region="13 -16 20 -23 12 -15" universe="1" />
-  <cell id="366" material="void" name="x = 5, y = 6, z = 3" region="16 -19 20 -23 12 -15" universe="1" />
-  <cell id="367" material="void" name="x = 6, y = 6, z = 3" region="19 -22 20 -23 12 -15" universe="1" />
-  <cell id="368" material="void" name="x = 7, y = 6, z = 3" region="22 -25 20 -23 12 -15" universe="1" />
-  <cell id="369" material="void" name="x = 8, y = 6, z = 3" region="25 -28 20 -23 12 -15" universe="1" />
-  <cell id="370" material="void" name="x = 9, y = 6, z = 3" region="28 -31 20 -23 12 -15" universe="1" />
-  <cell id="371" material="void" name="x = 0, y = 7, z = 3" region="1 -4 23 -26 12 -15" universe="1" />
-  <cell id="372" material="void" name="x = 1, y = 7, z = 3" region="4 -7 23 -26 12 -15" universe="1" />
-  <cell id="373" material="void" name="x = 2, y = 7, z = 3" region="7 -10 23 -26 12 -15" universe="1" />
-  <cell id="374" material="void" name="x = 3, y = 7, z = 3" region="10 -13 23 -26 12 -15" universe="1" />
-  <cell id="375" material="void" name="x = 4, y = 7, z = 3" region="13 -16 23 -26 12 -15" universe="1" />
-  <cell id="376" material="void" name="x = 5, y = 7, z = 3" region="16 -19 23 -26 12 -15" universe="1" />
-  <cell id="377" material="void" name="x = 6, y = 7, z = 3" region="19 -22 23 -26 12 -15" universe="1" />
-  <cell id="378" material="void" name="x = 7, y = 7, z = 3" region="22 -25 23 -26 12 -15" universe="1" />
-  <cell id="379" material="void" name="x = 8, y = 7, z = 3" region="25 -28 23 -26 12 -15" universe="1" />
-  <cell id="380" material="void" name="x = 9, y = 7, z = 3" region="28 -31 23 -26 12 -15" universe="1" />
-  <cell id="381" material="void" name="x = 0, y = 8, z = 3" region="1 -4 26 -29 12 -15" universe="1" />
-  <cell id="382" material="void" name="x = 1, y = 8, z = 3" region="4 -7 26 -29 12 -15" universe="1" />
-  <cell id="383" material="void" name="x = 2, y = 8, z = 3" region="7 -10 26 -29 12 -15" universe="1" />
-  <cell id="384" material="void" name="x = 3, y = 8, z = 3" region="10 -13 26 -29 12 -15" universe="1" />
-  <cell id="385" material="void" name="x = 4, y = 8, z = 3" region="13 -16 26 -29 12 -15" universe="1" />
-  <cell id="386" material="void" name="x = 5, y = 8, z = 3" region="16 -19 26 -29 12 -15" universe="1" />
-  <cell id="387" material="void" name="x = 6, y = 8, z = 3" region="19 -22 26 -29 12 -15" universe="1" />
-  <cell id="388" material="void" name="x = 7, y = 8, z = 3" region="22 -25 26 -29 12 -15" universe="1" />
-  <cell id="389" material="void" name="x = 8, y = 8, z = 3" region="25 -28 26 -29 12 -15" universe="1" />
-  <cell id="390" material="void" name="x = 9, y = 8, z = 3" region="28 -31 26 -29 12 -15" universe="1" />
-  <cell id="391" material="void" name="x = 0, y = 9, z = 3" region="1 -4 29 -32 12 -15" universe="1" />
-  <cell id="392" material="void" name="x = 1, y = 9, z = 3" region="4 -7 29 -32 12 -15" universe="1" />
-  <cell id="393" material="void" name="x = 2, y = 9, z = 3" region="7 -10 29 -32 12 -15" universe="1" />
-  <cell id="394" material="void" name="x = 3, y = 9, z = 3" region="10 -13 29 -32 12 -15" universe="1" />
-  <cell id="395" material="void" name="x = 4, y = 9, z = 3" region="13 -16 29 -32 12 -15" universe="1" />
-  <cell id="396" material="void" name="x = 5, y = 9, z = 3" region="16 -19 29 -32 12 -15" universe="1" />
-  <cell id="397" material="void" name="x = 6, y = 9, z = 3" region="19 -22 29 -32 12 -15" universe="1" />
-  <cell id="398" material="void" name="x = 7, y = 9, z = 3" region="22 -25 29 -32 12 -15" universe="1" />
-  <cell id="399" material="void" name="x = 8, y = 9, z = 3" region="25 -28 29 -32 12 -15" universe="1" />
-  <cell id="400" material="void" name="x = 9, y = 9, z = 3" region="28 -31 29 -32 12 -15" universe="1" />
-  <cell id="401" material="void" name="x = 0, y = 0, z = 4" region="1 -4 2 -5 15 -18" universe="1" />
-  <cell id="402" material="void" name="x = 1, y = 0, z = 4" region="4 -7 2 -5 15 -18" universe="1" />
-  <cell id="403" material="void" name="x = 2, y = 0, z = 4" region="7 -10 2 -5 15 -18" universe="1" />
-  <cell id="404" material="void" name="x = 3, y = 0, z = 4" region="10 -13 2 -5 15 -18" universe="1" />
-  <cell id="405" material="void" name="x = 4, y = 0, z = 4" region="13 -16 2 -5 15 -18" universe="1" />
-  <cell id="406" material="void" name="x = 5, y = 0, z = 4" region="16 -19 2 -5 15 -18" universe="1" />
-  <cell id="407" material="void" name="x = 6, y = 0, z = 4" region="19 -22 2 -5 15 -18" universe="1" />
-  <cell id="408" material="void" name="x = 7, y = 0, z = 4" region="22 -25 2 -5 15 -18" universe="1" />
-  <cell id="409" material="void" name="x = 8, y = 0, z = 4" region="25 -28 2 -5 15 -18" universe="1" />
-  <cell id="410" material="void" name="x = 9, y = 0, z = 4" region="28 -31 2 -5 15 -18" universe="1" />
-  <cell id="411" material="void" name="x = 0, y = 1, z = 4" region="1 -4 5 -8 15 -18" universe="1" />
-  <cell id="412" material="void" name="x = 1, y = 1, z = 4" region="4 -7 5 -8 15 -18" universe="1" />
-  <cell id="413" material="void" name="x = 2, y = 1, z = 4" region="7 -10 5 -8 15 -18" universe="1" />
-  <cell id="414" material="void" name="x = 3, y = 1, z = 4" region="10 -13 5 -8 15 -18" universe="1" />
-  <cell id="415" material="void" name="x = 4, y = 1, z = 4" region="13 -16 5 -8 15 -18" universe="1" />
-  <cell id="416" material="void" name="x = 5, y = 1, z = 4" region="16 -19 5 -8 15 -18" universe="1" />
-  <cell id="417" material="void" name="x = 6, y = 1, z = 4" region="19 -22 5 -8 15 -18" universe="1" />
-  <cell id="418" material="void" name="x = 7, y = 1, z = 4" region="22 -25 5 -8 15 -18" universe="1" />
-  <cell id="419" material="void" name="x = 8, y = 1, z = 4" region="25 -28 5 -8 15 -18" universe="1" />
-  <cell id="420" material="void" name="x = 9, y = 1, z = 4" region="28 -31 5 -8 15 -18" universe="1" />
-  <cell id="421" material="void" name="x = 0, y = 2, z = 4" region="1 -4 8 -11 15 -18" universe="1" />
-  <cell id="422" material="void" name="x = 1, y = 2, z = 4" region="4 -7 8 -11 15 -18" universe="1" />
-  <cell id="423" material="void" name="x = 2, y = 2, z = 4" region="7 -10 8 -11 15 -18" universe="1" />
-  <cell id="424" material="void" name="x = 3, y = 2, z = 4" region="10 -13 8 -11 15 -18" universe="1" />
-  <cell id="425" material="void" name="x = 4, y = 2, z = 4" region="13 -16 8 -11 15 -18" universe="1" />
-  <cell id="426" material="void" name="x = 5, y = 2, z = 4" region="16 -19 8 -11 15 -18" universe="1" />
-  <cell id="427" material="void" name="x = 6, y = 2, z = 4" region="19 -22 8 -11 15 -18" universe="1" />
-  <cell id="428" material="void" name="x = 7, y = 2, z = 4" region="22 -25 8 -11 15 -18" universe="1" />
-  <cell id="429" material="void" name="x = 8, y = 2, z = 4" region="25 -28 8 -11 15 -18" universe="1" />
-  <cell id="430" material="void" name="x = 9, y = 2, z = 4" region="28 -31 8 -11 15 -18" universe="1" />
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-  <cell id="432" material="void" name="x = 1, y = 3, z = 4" region="4 -7 11 -14 15 -18" universe="1" />
-  <cell id="433" material="void" name="x = 2, y = 3, z = 4" region="7 -10 11 -14 15 -18" universe="1" />
-  <cell id="434" material="void" name="x = 3, y = 3, z = 4" region="10 -13 11 -14 15 -18" universe="1" />
-  <cell id="435" material="void" name="x = 4, y = 3, z = 4" region="13 -16 11 -14 15 -18" universe="1" />
-  <cell id="436" material="void" name="x = 5, y = 3, z = 4" region="16 -19 11 -14 15 -18" universe="1" />
-  <cell id="437" material="void" name="x = 6, y = 3, z = 4" region="19 -22 11 -14 15 -18" universe="1" />
-  <cell id="438" material="void" name="x = 7, y = 3, z = 4" region="22 -25 11 -14 15 -18" universe="1" />
-  <cell id="439" material="void" name="x = 8, y = 3, z = 4" region="25 -28 11 -14 15 -18" universe="1" />
-  <cell id="440" material="void" name="x = 9, y = 3, z = 4" region="28 -31 11 -14 15 -18" universe="1" />
-  <cell id="441" material="void" name="x = 0, y = 4, z = 4" region="1 -4 14 -17 15 -18" universe="1" />
-  <cell id="442" material="void" name="x = 1, y = 4, z = 4" region="4 -7 14 -17 15 -18" universe="1" />
-  <cell id="443" material="void" name="x = 2, y = 4, z = 4" region="7 -10 14 -17 15 -18" universe="1" />
-  <cell id="444" material="void" name="x = 3, y = 4, z = 4" region="10 -13 14 -17 15 -18" universe="1" />
-  <cell id="445" material="void" name="x = 4, y = 4, z = 4" region="13 -16 14 -17 15 -18" universe="1" />
-  <cell id="446" material="void" name="x = 5, y = 4, z = 4" region="16 -19 14 -17 15 -18" universe="1" />
-  <cell id="447" material="void" name="x = 6, y = 4, z = 4" region="19 -22 14 -17 15 -18" universe="1" />
-  <cell id="448" material="void" name="x = 7, y = 4, z = 4" region="22 -25 14 -17 15 -18" universe="1" />
-  <cell id="449" material="void" name="x = 8, y = 4, z = 4" region="25 -28 14 -17 15 -18" universe="1" />
-  <cell id="450" material="void" name="x = 9, y = 4, z = 4" region="28 -31 14 -17 15 -18" universe="1" />
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-  <cell id="453" material="void" name="x = 2, y = 5, z = 4" region="7 -10 17 -20 15 -18" universe="1" />
-  <cell id="454" material="void" name="x = 3, y = 5, z = 4" region="10 -13 17 -20 15 -18" universe="1" />
-  <cell id="455" material="void" name="x = 4, y = 5, z = 4" region="13 -16 17 -20 15 -18" universe="1" />
-  <cell id="456" material="void" name="x = 5, y = 5, z = 4" region="16 -19 17 -20 15 -18" universe="1" />
-  <cell id="457" material="void" name="x = 6, y = 5, z = 4" region="19 -22 17 -20 15 -18" universe="1" />
-  <cell id="458" material="void" name="x = 7, y = 5, z = 4" region="22 -25 17 -20 15 -18" universe="1" />
-  <cell id="459" material="void" name="x = 8, y = 5, z = 4" region="25 -28 17 -20 15 -18" universe="1" />
-  <cell id="460" material="void" name="x = 9, y = 5, z = 4" region="28 -31 17 -20 15 -18" universe="1" />
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-  <cell id="462" material="void" name="x = 1, y = 6, z = 4" region="4 -7 20 -23 15 -18" universe="1" />
-  <cell id="463" material="void" name="x = 2, y = 6, z = 4" region="7 -10 20 -23 15 -18" universe="1" />
-  <cell id="464" material="void" name="x = 3, y = 6, z = 4" region="10 -13 20 -23 15 -18" universe="1" />
-  <cell id="465" material="void" name="x = 4, y = 6, z = 4" region="13 -16 20 -23 15 -18" universe="1" />
-  <cell id="466" material="void" name="x = 5, y = 6, z = 4" region="16 -19 20 -23 15 -18" universe="1" />
-  <cell id="467" material="void" name="x = 6, y = 6, z = 4" region="19 -22 20 -23 15 -18" universe="1" />
-  <cell id="468" material="void" name="x = 7, y = 6, z = 4" region="22 -25 20 -23 15 -18" universe="1" />
-  <cell id="469" material="void" name="x = 8, y = 6, z = 4" region="25 -28 20 -23 15 -18" universe="1" />
-  <cell id="470" material="void" name="x = 9, y = 6, z = 4" region="28 -31 20 -23 15 -18" universe="1" />
-  <cell id="471" material="void" name="x = 0, y = 7, z = 4" region="1 -4 23 -26 15 -18" universe="1" />
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-  <cell id="473" material="void" name="x = 2, y = 7, z = 4" region="7 -10 23 -26 15 -18" universe="1" />
-  <cell id="474" material="void" name="x = 3, y = 7, z = 4" region="10 -13 23 -26 15 -18" universe="1" />
-  <cell id="475" material="void" name="x = 4, y = 7, z = 4" region="13 -16 23 -26 15 -18" universe="1" />
-  <cell id="476" material="void" name="x = 5, y = 7, z = 4" region="16 -19 23 -26 15 -18" universe="1" />
-  <cell id="477" material="void" name="x = 6, y = 7, z = 4" region="19 -22 23 -26 15 -18" universe="1" />
-  <cell id="478" material="void" name="x = 7, y = 7, z = 4" region="22 -25 23 -26 15 -18" universe="1" />
-  <cell id="479" material="void" name="x = 8, y = 7, z = 4" region="25 -28 23 -26 15 -18" universe="1" />
-  <cell id="480" material="void" name="x = 9, y = 7, z = 4" region="28 -31 23 -26 15 -18" universe="1" />
-  <cell id="481" material="void" name="x = 0, y = 8, z = 4" region="1 -4 26 -29 15 -18" universe="1" />
-  <cell id="482" material="void" name="x = 1, y = 8, z = 4" region="4 -7 26 -29 15 -18" universe="1" />
-  <cell id="483" material="void" name="x = 2, y = 8, z = 4" region="7 -10 26 -29 15 -18" universe="1" />
-  <cell id="484" material="void" name="x = 3, y = 8, z = 4" region="10 -13 26 -29 15 -18" universe="1" />
-  <cell id="485" material="void" name="x = 4, y = 8, z = 4" region="13 -16 26 -29 15 -18" universe="1" />
-  <cell id="486" material="void" name="x = 5, y = 8, z = 4" region="16 -19 26 -29 15 -18" universe="1" />
-  <cell id="487" material="void" name="x = 6, y = 8, z = 4" region="19 -22 26 -29 15 -18" universe="1" />
-  <cell id="488" material="void" name="x = 7, y = 8, z = 4" region="22 -25 26 -29 15 -18" universe="1" />
-  <cell id="489" material="void" name="x = 8, y = 8, z = 4" region="25 -28 26 -29 15 -18" universe="1" />
-  <cell id="490" material="void" name="x = 9, y = 8, z = 4" region="28 -31 26 -29 15 -18" universe="1" />
-  <cell id="491" material="void" name="x = 0, y = 9, z = 4" region="1 -4 29 -32 15 -18" universe="1" />
-  <cell id="492" material="void" name="x = 1, y = 9, z = 4" region="4 -7 29 -32 15 -18" universe="1" />
-  <cell id="493" material="void" name="x = 2, y = 9, z = 4" region="7 -10 29 -32 15 -18" universe="1" />
-  <cell id="494" material="void" name="x = 3, y = 9, z = 4" region="10 -13 29 -32 15 -18" universe="1" />
-  <cell id="495" material="void" name="x = 4, y = 9, z = 4" region="13 -16 29 -32 15 -18" universe="1" />
-  <cell id="496" material="void" name="x = 5, y = 9, z = 4" region="16 -19 29 -32 15 -18" universe="1" />
-  <cell id="497" material="void" name="x = 6, y = 9, z = 4" region="19 -22 29 -32 15 -18" universe="1" />
-  <cell id="498" material="void" name="x = 7, y = 9, z = 4" region="22 -25 29 -32 15 -18" universe="1" />
-  <cell id="499" material="void" name="x = 8, y = 9, z = 4" region="25 -28 29 -32 15 -18" universe="1" />
-  <cell id="500" material="void" name="x = 9, y = 9, z = 4" region="28 -31 29 -32 15 -18" universe="1" />
-  <cell id="501" material="void" name="x = 0, y = 0, z = 5" region="1 -4 2 -5 18 -21" universe="1" />
-  <cell id="502" material="void" name="x = 1, y = 0, z = 5" region="4 -7 2 -5 18 -21" universe="1" />
-  <cell id="503" material="void" name="x = 2, y = 0, z = 5" region="7 -10 2 -5 18 -21" universe="1" />
-  <cell id="504" material="void" name="x = 3, y = 0, z = 5" region="10 -13 2 -5 18 -21" universe="1" />
-  <cell id="505" material="void" name="x = 4, y = 0, z = 5" region="13 -16 2 -5 18 -21" universe="1" />
-  <cell id="506" material="void" name="x = 5, y = 0, z = 5" region="16 -19 2 -5 18 -21" universe="1" />
-  <cell id="507" material="void" name="x = 6, y = 0, z = 5" region="19 -22 2 -5 18 -21" universe="1" />
-  <cell id="508" material="void" name="x = 7, y = 0, z = 5" region="22 -25 2 -5 18 -21" universe="1" />
-  <cell id="509" material="void" name="x = 8, y = 0, z = 5" region="25 -28 2 -5 18 -21" universe="1" />
-  <cell id="510" material="void" name="x = 9, y = 0, z = 5" region="28 -31 2 -5 18 -21" universe="1" />
-  <cell id="511" material="void" name="x = 0, y = 1, z = 5" region="1 -4 5 -8 18 -21" universe="1" />
-  <cell id="512" material="void" name="x = 1, y = 1, z = 5" region="4 -7 5 -8 18 -21" universe="1" />
-  <cell id="513" material="void" name="x = 2, y = 1, z = 5" region="7 -10 5 -8 18 -21" universe="1" />
-  <cell id="514" material="void" name="x = 3, y = 1, z = 5" region="10 -13 5 -8 18 -21" universe="1" />
-  <cell id="515" material="void" name="x = 4, y = 1, z = 5" region="13 -16 5 -8 18 -21" universe="1" />
-  <cell id="516" material="void" name="x = 5, y = 1, z = 5" region="16 -19 5 -8 18 -21" universe="1" />
-  <cell id="517" material="void" name="x = 6, y = 1, z = 5" region="19 -22 5 -8 18 -21" universe="1" />
-  <cell id="518" material="void" name="x = 7, y = 1, z = 5" region="22 -25 5 -8 18 -21" universe="1" />
-  <cell id="519" material="void" name="x = 8, y = 1, z = 5" region="25 -28 5 -8 18 -21" universe="1" />
-  <cell id="520" material="void" name="x = 9, y = 1, z = 5" region="28 -31 5 -8 18 -21" universe="1" />
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-  <cell id="523" material="void" name="x = 2, y = 2, z = 5" region="7 -10 8 -11 18 -21" universe="1" />
-  <cell id="524" material="void" name="x = 3, y = 2, z = 5" region="10 -13 8 -11 18 -21" universe="1" />
-  <cell id="525" material="void" name="x = 4, y = 2, z = 5" region="13 -16 8 -11 18 -21" universe="1" />
-  <cell id="526" material="void" name="x = 5, y = 2, z = 5" region="16 -19 8 -11 18 -21" universe="1" />
-  <cell id="527" material="void" name="x = 6, y = 2, z = 5" region="19 -22 8 -11 18 -21" universe="1" />
-  <cell id="528" material="void" name="x = 7, y = 2, z = 5" region="22 -25 8 -11 18 -21" universe="1" />
-  <cell id="529" material="void" name="x = 8, y = 2, z = 5" region="25 -28 8 -11 18 -21" universe="1" />
-  <cell id="530" material="void" name="x = 9, y = 2, z = 5" region="28 -31 8 -11 18 -21" universe="1" />
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-  <cell id="534" material="void" name="x = 3, y = 3, z = 5" region="10 -13 11 -14 18 -21" universe="1" />
-  <cell id="535" material="void" name="x = 4, y = 3, z = 5" region="13 -16 11 -14 18 -21" universe="1" />
-  <cell id="536" material="void" name="x = 5, y = 3, z = 5" region="16 -19 11 -14 18 -21" universe="1" />
-  <cell id="537" material="void" name="x = 6, y = 3, z = 5" region="19 -22 11 -14 18 -21" universe="1" />
-  <cell id="538" material="void" name="x = 7, y = 3, z = 5" region="22 -25 11 -14 18 -21" universe="1" />
-  <cell id="539" material="void" name="x = 8, y = 3, z = 5" region="25 -28 11 -14 18 -21" universe="1" />
-  <cell id="540" material="void" name="x = 9, y = 3, z = 5" region="28 -31 11 -14 18 -21" universe="1" />
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-  <cell id="544" material="void" name="x = 3, y = 4, z = 5" region="10 -13 14 -17 18 -21" universe="1" />
-  <cell id="545" material="void" name="x = 4, y = 4, z = 5" region="13 -16 14 -17 18 -21" universe="1" />
-  <cell id="546" material="void" name="x = 5, y = 4, z = 5" region="16 -19 14 -17 18 -21" universe="1" />
-  <cell id="547" material="void" name="x = 6, y = 4, z = 5" region="19 -22 14 -17 18 -21" universe="1" />
-  <cell id="548" material="void" name="x = 7, y = 4, z = 5" region="22 -25 14 -17 18 -21" universe="1" />
-  <cell id="549" material="void" name="x = 8, y = 4, z = 5" region="25 -28 14 -17 18 -21" universe="1" />
-  <cell id="550" material="void" name="x = 9, y = 4, z = 5" region="28 -31 14 -17 18 -21" universe="1" />
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-  <cell id="553" material="void" name="x = 2, y = 5, z = 5" region="7 -10 17 -20 18 -21" universe="1" />
-  <cell id="554" material="void" name="x = 3, y = 5, z = 5" region="10 -13 17 -20 18 -21" universe="1" />
-  <cell id="555" material="void" name="x = 4, y = 5, z = 5" region="13 -16 17 -20 18 -21" universe="1" />
-  <cell id="556" material="void" name="x = 5, y = 5, z = 5" region="16 -19 17 -20 18 -21" universe="1" />
-  <cell id="557" material="void" name="x = 6, y = 5, z = 5" region="19 -22 17 -20 18 -21" universe="1" />
-  <cell id="558" material="void" name="x = 7, y = 5, z = 5" region="22 -25 17 -20 18 -21" universe="1" />
-  <cell id="559" material="void" name="x = 8, y = 5, z = 5" region="25 -28 17 -20 18 -21" universe="1" />
-  <cell id="560" material="void" name="x = 9, y = 5, z = 5" region="28 -31 17 -20 18 -21" universe="1" />
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-  <cell id="563" material="void" name="x = 2, y = 6, z = 5" region="7 -10 20 -23 18 -21" universe="1" />
-  <cell id="564" material="void" name="x = 3, y = 6, z = 5" region="10 -13 20 -23 18 -21" universe="1" />
-  <cell id="565" material="void" name="x = 4, y = 6, z = 5" region="13 -16 20 -23 18 -21" universe="1" />
-  <cell id="566" material="void" name="x = 5, y = 6, z = 5" region="16 -19 20 -23 18 -21" universe="1" />
-  <cell id="567" material="void" name="x = 6, y = 6, z = 5" region="19 -22 20 -23 18 -21" universe="1" />
-  <cell id="568" material="void" name="x = 7, y = 6, z = 5" region="22 -25 20 -23 18 -21" universe="1" />
-  <cell id="569" material="void" name="x = 8, y = 6, z = 5" region="25 -28 20 -23 18 -21" universe="1" />
-  <cell id="570" material="void" name="x = 9, y = 6, z = 5" region="28 -31 20 -23 18 -21" universe="1" />
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-  <cell id="574" material="void" name="x = 3, y = 7, z = 5" region="10 -13 23 -26 18 -21" universe="1" />
-  <cell id="575" material="void" name="x = 4, y = 7, z = 5" region="13 -16 23 -26 18 -21" universe="1" />
-  <cell id="576" material="void" name="x = 5, y = 7, z = 5" region="16 -19 23 -26 18 -21" universe="1" />
-  <cell id="577" material="void" name="x = 6, y = 7, z = 5" region="19 -22 23 -26 18 -21" universe="1" />
-  <cell id="578" material="void" name="x = 7, y = 7, z = 5" region="22 -25 23 -26 18 -21" universe="1" />
-  <cell id="579" material="void" name="x = 8, y = 7, z = 5" region="25 -28 23 -26 18 -21" universe="1" />
-  <cell id="580" material="void" name="x = 9, y = 7, z = 5" region="28 -31 23 -26 18 -21" universe="1" />
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-  <cell id="582" material="void" name="x = 1, y = 8, z = 5" region="4 -7 26 -29 18 -21" universe="1" />
-  <cell id="583" material="void" name="x = 2, y = 8, z = 5" region="7 -10 26 -29 18 -21" universe="1" />
-  <cell id="584" material="void" name="x = 3, y = 8, z = 5" region="10 -13 26 -29 18 -21" universe="1" />
-  <cell id="585" material="void" name="x = 4, y = 8, z = 5" region="13 -16 26 -29 18 -21" universe="1" />
-  <cell id="586" material="void" name="x = 5, y = 8, z = 5" region="16 -19 26 -29 18 -21" universe="1" />
-  <cell id="587" material="void" name="x = 6, y = 8, z = 5" region="19 -22 26 -29 18 -21" universe="1" />
-  <cell id="588" material="void" name="x = 7, y = 8, z = 5" region="22 -25 26 -29 18 -21" universe="1" />
-  <cell id="589" material="void" name="x = 8, y = 8, z = 5" region="25 -28 26 -29 18 -21" universe="1" />
-  <cell id="590" material="void" name="x = 9, y = 8, z = 5" region="28 -31 26 -29 18 -21" universe="1" />
-  <cell id="591" material="void" name="x = 0, y = 9, z = 5" region="1 -4 29 -32 18 -21" universe="1" />
-  <cell id="592" material="void" name="x = 1, y = 9, z = 5" region="4 -7 29 -32 18 -21" universe="1" />
-  <cell id="593" material="void" name="x = 2, y = 9, z = 5" region="7 -10 29 -32 18 -21" universe="1" />
-  <cell id="594" material="void" name="x = 3, y = 9, z = 5" region="10 -13 29 -32 18 -21" universe="1" />
-  <cell id="595" material="void" name="x = 4, y = 9, z = 5" region="13 -16 29 -32 18 -21" universe="1" />
-  <cell id="596" material="void" name="x = 5, y = 9, z = 5" region="16 -19 29 -32 18 -21" universe="1" />
-  <cell id="597" material="void" name="x = 6, y = 9, z = 5" region="19 -22 29 -32 18 -21" universe="1" />
-  <cell id="598" material="void" name="x = 7, y = 9, z = 5" region="22 -25 29 -32 18 -21" universe="1" />
-  <cell id="599" material="void" name="x = 8, y = 9, z = 5" region="25 -28 29 -32 18 -21" universe="1" />
-  <cell id="600" material="void" name="x = 9, y = 9, z = 5" region="28 -31 29 -32 18 -21" universe="1" />
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-  <cell id="603" material="void" name="x = 2, y = 0, z = 6" region="7 -10 2 -5 21 -24" universe="1" />
-  <cell id="604" material="void" name="x = 3, y = 0, z = 6" region="10 -13 2 -5 21 -24" universe="1" />
-  <cell id="605" material="void" name="x = 4, y = 0, z = 6" region="13 -16 2 -5 21 -24" universe="1" />
-  <cell id="606" material="void" name="x = 5, y = 0, z = 6" region="16 -19 2 -5 21 -24" universe="1" />
-  <cell id="607" material="void" name="x = 6, y = 0, z = 6" region="19 -22 2 -5 21 -24" universe="1" />
-  <cell id="608" material="void" name="x = 7, y = 0, z = 6" region="22 -25 2 -5 21 -24" universe="1" />
-  <cell id="609" material="void" name="x = 8, y = 0, z = 6" region="25 -28 2 -5 21 -24" universe="1" />
-  <cell id="610" material="void" name="x = 9, y = 0, z = 6" region="28 -31 2 -5 21 -24" universe="1" />
-  <cell id="611" material="void" name="x = 0, y = 1, z = 6" region="1 -4 5 -8 21 -24" universe="1" />
-  <cell id="612" material="void" name="x = 1, y = 1, z = 6" region="4 -7 5 -8 21 -24" universe="1" />
-  <cell id="613" material="void" name="x = 2, y = 1, z = 6" region="7 -10 5 -8 21 -24" universe="1" />
-  <cell id="614" material="void" name="x = 3, y = 1, z = 6" region="10 -13 5 -8 21 -24" universe="1" />
-  <cell id="615" material="void" name="x = 4, y = 1, z = 6" region="13 -16 5 -8 21 -24" universe="1" />
-  <cell id="616" material="void" name="x = 5, y = 1, z = 6" region="16 -19 5 -8 21 -24" universe="1" />
-  <cell id="617" material="void" name="x = 6, y = 1, z = 6" region="19 -22 5 -8 21 -24" universe="1" />
-  <cell id="618" material="void" name="x = 7, y = 1, z = 6" region="22 -25 5 -8 21 -24" universe="1" />
-  <cell id="619" material="void" name="x = 8, y = 1, z = 6" region="25 -28 5 -8 21 -24" universe="1" />
-  <cell id="620" material="void" name="x = 9, y = 1, z = 6" region="28 -31 5 -8 21 -24" universe="1" />
-  <cell id="621" material="void" name="x = 0, y = 2, z = 6" region="1 -4 8 -11 21 -24" universe="1" />
-  <cell id="622" material="void" name="x = 1, y = 2, z = 6" region="4 -7 8 -11 21 -24" universe="1" />
-  <cell id="623" material="void" name="x = 2, y = 2, z = 6" region="7 -10 8 -11 21 -24" universe="1" />
-  <cell id="624" material="void" name="x = 3, y = 2, z = 6" region="10 -13 8 -11 21 -24" universe="1" />
-  <cell id="625" material="void" name="x = 4, y = 2, z = 6" region="13 -16 8 -11 21 -24" universe="1" />
-  <cell id="626" material="void" name="x = 5, y = 2, z = 6" region="16 -19 8 -11 21 -24" universe="1" />
-  <cell id="627" material="void" name="x = 6, y = 2, z = 6" region="19 -22 8 -11 21 -24" universe="1" />
-  <cell id="628" material="void" name="x = 7, y = 2, z = 6" region="22 -25 8 -11 21 -24" universe="1" />
-  <cell id="629" material="void" name="x = 8, y = 2, z = 6" region="25 -28 8 -11 21 -24" universe="1" />
-  <cell id="630" material="void" name="x = 9, y = 2, z = 6" region="28 -31 8 -11 21 -24" universe="1" />
-  <cell id="631" material="void" name="x = 0, y = 3, z = 6" region="1 -4 11 -14 21 -24" universe="1" />
-  <cell id="632" material="void" name="x = 1, y = 3, z = 6" region="4 -7 11 -14 21 -24" universe="1" />
-  <cell id="633" material="void" name="x = 2, y = 3, z = 6" region="7 -10 11 -14 21 -24" universe="1" />
-  <cell id="634" material="void" name="x = 3, y = 3, z = 6" region="10 -13 11 -14 21 -24" universe="1" />
-  <cell id="635" material="void" name="x = 4, y = 3, z = 6" region="13 -16 11 -14 21 -24" universe="1" />
-  <cell id="636" material="void" name="x = 5, y = 3, z = 6" region="16 -19 11 -14 21 -24" universe="1" />
-  <cell id="637" material="void" name="x = 6, y = 3, z = 6" region="19 -22 11 -14 21 -24" universe="1" />
-  <cell id="638" material="void" name="x = 7, y = 3, z = 6" region="22 -25 11 -14 21 -24" universe="1" />
-  <cell id="639" material="void" name="x = 8, y = 3, z = 6" region="25 -28 11 -14 21 -24" universe="1" />
-  <cell id="640" material="void" name="x = 9, y = 3, z = 6" region="28 -31 11 -14 21 -24" universe="1" />
-  <cell id="641" material="void" name="x = 0, y = 4, z = 6" region="1 -4 14 -17 21 -24" universe="1" />
-  <cell id="642" material="void" name="x = 1, y = 4, z = 6" region="4 -7 14 -17 21 -24" universe="1" />
-  <cell id="643" material="void" name="x = 2, y = 4, z = 6" region="7 -10 14 -17 21 -24" universe="1" />
-  <cell id="644" material="void" name="x = 3, y = 4, z = 6" region="10 -13 14 -17 21 -24" universe="1" />
-  <cell id="645" material="void" name="x = 4, y = 4, z = 6" region="13 -16 14 -17 21 -24" universe="1" />
-  <cell id="646" material="void" name="x = 5, y = 4, z = 6" region="16 -19 14 -17 21 -24" universe="1" />
-  <cell id="647" material="void" name="x = 6, y = 4, z = 6" region="19 -22 14 -17 21 -24" universe="1" />
-  <cell id="648" material="void" name="x = 7, y = 4, z = 6" region="22 -25 14 -17 21 -24" universe="1" />
-  <cell id="649" material="void" name="x = 8, y = 4, z = 6" region="25 -28 14 -17 21 -24" universe="1" />
-  <cell id="650" material="void" name="x = 9, y = 4, z = 6" region="28 -31 14 -17 21 -24" universe="1" />
-  <cell id="651" material="void" name="x = 0, y = 5, z = 6" region="1 -4 17 -20 21 -24" universe="1" />
-  <cell id="652" material="void" name="x = 1, y = 5, z = 6" region="4 -7 17 -20 21 -24" universe="1" />
-  <cell id="653" material="void" name="x = 2, y = 5, z = 6" region="7 -10 17 -20 21 -24" universe="1" />
-  <cell id="654" material="void" name="x = 3, y = 5, z = 6" region="10 -13 17 -20 21 -24" universe="1" />
-  <cell id="655" material="void" name="x = 4, y = 5, z = 6" region="13 -16 17 -20 21 -24" universe="1" />
-  <cell id="656" material="void" name="x = 5, y = 5, z = 6" region="16 -19 17 -20 21 -24" universe="1" />
-  <cell id="657" material="void" name="x = 6, y = 5, z = 6" region="19 -22 17 -20 21 -24" universe="1" />
-  <cell id="658" material="void" name="x = 7, y = 5, z = 6" region="22 -25 17 -20 21 -24" universe="1" />
-  <cell id="659" material="void" name="x = 8, y = 5, z = 6" region="25 -28 17 -20 21 -24" universe="1" />
-  <cell id="660" material="void" name="x = 9, y = 5, z = 6" region="28 -31 17 -20 21 -24" universe="1" />
-  <cell id="661" material="void" name="x = 0, y = 6, z = 6" region="1 -4 20 -23 21 -24" universe="1" />
-  <cell id="662" material="void" name="x = 1, y = 6, z = 6" region="4 -7 20 -23 21 -24" universe="1" />
-  <cell id="663" material="void" name="x = 2, y = 6, z = 6" region="7 -10 20 -23 21 -24" universe="1" />
-  <cell id="664" material="void" name="x = 3, y = 6, z = 6" region="10 -13 20 -23 21 -24" universe="1" />
-  <cell id="665" material="void" name="x = 4, y = 6, z = 6" region="13 -16 20 -23 21 -24" universe="1" />
-  <cell id="666" material="void" name="x = 5, y = 6, z = 6" region="16 -19 20 -23 21 -24" universe="1" />
-  <cell id="667" material="void" name="x = 6, y = 6, z = 6" region="19 -22 20 -23 21 -24" universe="1" />
-  <cell id="668" material="void" name="x = 7, y = 6, z = 6" region="22 -25 20 -23 21 -24" universe="1" />
-  <cell id="669" material="void" name="x = 8, y = 6, z = 6" region="25 -28 20 -23 21 -24" universe="1" />
-  <cell id="670" material="void" name="x = 9, y = 6, z = 6" region="28 -31 20 -23 21 -24" universe="1" />
-  <cell id="671" material="void" name="x = 0, y = 7, z = 6" region="1 -4 23 -26 21 -24" universe="1" />
-  <cell id="672" material="void" name="x = 1, y = 7, z = 6" region="4 -7 23 -26 21 -24" universe="1" />
-  <cell id="673" material="void" name="x = 2, y = 7, z = 6" region="7 -10 23 -26 21 -24" universe="1" />
-  <cell id="674" material="void" name="x = 3, y = 7, z = 6" region="10 -13 23 -26 21 -24" universe="1" />
-  <cell id="675" material="void" name="x = 4, y = 7, z = 6" region="13 -16 23 -26 21 -24" universe="1" />
-  <cell id="676" material="void" name="x = 5, y = 7, z = 6" region="16 -19 23 -26 21 -24" universe="1" />
-  <cell id="677" material="void" name="x = 6, y = 7, z = 6" region="19 -22 23 -26 21 -24" universe="1" />
-  <cell id="678" material="void" name="x = 7, y = 7, z = 6" region="22 -25 23 -26 21 -24" universe="1" />
-  <cell id="679" material="void" name="x = 8, y = 7, z = 6" region="25 -28 23 -26 21 -24" universe="1" />
-  <cell id="680" material="void" name="x = 9, y = 7, z = 6" region="28 -31 23 -26 21 -24" universe="1" />
-  <cell id="681" material="void" name="x = 0, y = 8, z = 6" region="1 -4 26 -29 21 -24" universe="1" />
-  <cell id="682" material="void" name="x = 1, y = 8, z = 6" region="4 -7 26 -29 21 -24" universe="1" />
-  <cell id="683" material="void" name="x = 2, y = 8, z = 6" region="7 -10 26 -29 21 -24" universe="1" />
-  <cell id="684" material="void" name="x = 3, y = 8, z = 6" region="10 -13 26 -29 21 -24" universe="1" />
-  <cell id="685" material="void" name="x = 4, y = 8, z = 6" region="13 -16 26 -29 21 -24" universe="1" />
-  <cell id="686" material="void" name="x = 5, y = 8, z = 6" region="16 -19 26 -29 21 -24" universe="1" />
-  <cell id="687" material="void" name="x = 6, y = 8, z = 6" region="19 -22 26 -29 21 -24" universe="1" />
-  <cell id="688" material="void" name="x = 7, y = 8, z = 6" region="22 -25 26 -29 21 -24" universe="1" />
-  <cell id="689" material="void" name="x = 8, y = 8, z = 6" region="25 -28 26 -29 21 -24" universe="1" />
-  <cell id="690" material="void" name="x = 9, y = 8, z = 6" region="28 -31 26 -29 21 -24" universe="1" />
-  <cell id="691" material="void" name="x = 0, y = 9, z = 6" region="1 -4 29 -32 21 -24" universe="1" />
-  <cell id="692" material="void" name="x = 1, y = 9, z = 6" region="4 -7 29 -32 21 -24" universe="1" />
-  <cell id="693" material="void" name="x = 2, y = 9, z = 6" region="7 -10 29 -32 21 -24" universe="1" />
-  <cell id="694" material="void" name="x = 3, y = 9, z = 6" region="10 -13 29 -32 21 -24" universe="1" />
-  <cell id="695" material="void" name="x = 4, y = 9, z = 6" region="13 -16 29 -32 21 -24" universe="1" />
-  <cell id="696" material="void" name="x = 5, y = 9, z = 6" region="16 -19 29 -32 21 -24" universe="1" />
-  <cell id="697" material="void" name="x = 6, y = 9, z = 6" region="19 -22 29 -32 21 -24" universe="1" />
-  <cell id="698" material="void" name="x = 7, y = 9, z = 6" region="22 -25 29 -32 21 -24" universe="1" />
-  <cell id="699" material="void" name="x = 8, y = 9, z = 6" region="25 -28 29 -32 21 -24" universe="1" />
-  <cell id="700" material="void" name="x = 9, y = 9, z = 6" region="28 -31 29 -32 21 -24" universe="1" />
-  <cell id="701" material="void" name="x = 0, y = 0, z = 7" region="1 -4 2 -5 24 -27" universe="1" />
-  <cell id="702" material="void" name="x = 1, y = 0, z = 7" region="4 -7 2 -5 24 -27" universe="1" />
-  <cell id="703" material="void" name="x = 2, y = 0, z = 7" region="7 -10 2 -5 24 -27" universe="1" />
-  <cell id="704" material="void" name="x = 3, y = 0, z = 7" region="10 -13 2 -5 24 -27" universe="1" />
-  <cell id="705" material="void" name="x = 4, y = 0, z = 7" region="13 -16 2 -5 24 -27" universe="1" />
-  <cell id="706" material="void" name="x = 5, y = 0, z = 7" region="16 -19 2 -5 24 -27" universe="1" />
-  <cell id="707" material="void" name="x = 6, y = 0, z = 7" region="19 -22 2 -5 24 -27" universe="1" />
-  <cell id="708" material="void" name="x = 7, y = 0, z = 7" region="22 -25 2 -5 24 -27" universe="1" />
-  <cell id="709" material="void" name="x = 8, y = 0, z = 7" region="25 -28 2 -5 24 -27" universe="1" />
-  <cell id="710" material="void" name="x = 9, y = 0, z = 7" region="28 -31 2 -5 24 -27" universe="1" />
-  <cell id="711" material="void" name="x = 0, y = 1, z = 7" region="1 -4 5 -8 24 -27" universe="1" />
-  <cell id="712" material="void" name="x = 1, y = 1, z = 7" region="4 -7 5 -8 24 -27" universe="1" />
-  <cell id="713" material="void" name="x = 2, y = 1, z = 7" region="7 -10 5 -8 24 -27" universe="1" />
-  <cell id="714" material="void" name="x = 3, y = 1, z = 7" region="10 -13 5 -8 24 -27" universe="1" />
-  <cell id="715" material="void" name="x = 4, y = 1, z = 7" region="13 -16 5 -8 24 -27" universe="1" />
-  <cell id="716" material="void" name="x = 5, y = 1, z = 7" region="16 -19 5 -8 24 -27" universe="1" />
-  <cell id="717" material="void" name="x = 6, y = 1, z = 7" region="19 -22 5 -8 24 -27" universe="1" />
-  <cell id="718" material="void" name="x = 7, y = 1, z = 7" region="22 -25 5 -8 24 -27" universe="1" />
-  <cell id="719" material="void" name="x = 8, y = 1, z = 7" region="25 -28 5 -8 24 -27" universe="1" />
-  <cell id="720" material="void" name="x = 9, y = 1, z = 7" region="28 -31 5 -8 24 -27" universe="1" />
-  <cell id="721" material="void" name="x = 0, y = 2, z = 7" region="1 -4 8 -11 24 -27" universe="1" />
-  <cell id="722" material="void" name="x = 1, y = 2, z = 7" region="4 -7 8 -11 24 -27" universe="1" />
-  <cell id="723" material="void" name="x = 2, y = 2, z = 7" region="7 -10 8 -11 24 -27" universe="1" />
-  <cell id="724" material="void" name="x = 3, y = 2, z = 7" region="10 -13 8 -11 24 -27" universe="1" />
-  <cell id="725" material="void" name="x = 4, y = 2, z = 7" region="13 -16 8 -11 24 -27" universe="1" />
-  <cell id="726" material="void" name="x = 5, y = 2, z = 7" region="16 -19 8 -11 24 -27" universe="1" />
-  <cell id="727" material="void" name="x = 6, y = 2, z = 7" region="19 -22 8 -11 24 -27" universe="1" />
-  <cell id="728" material="void" name="x = 7, y = 2, z = 7" region="22 -25 8 -11 24 -27" universe="1" />
-  <cell id="729" material="void" name="x = 8, y = 2, z = 7" region="25 -28 8 -11 24 -27" universe="1" />
-  <cell id="730" material="void" name="x = 9, y = 2, z = 7" region="28 -31 8 -11 24 -27" universe="1" />
-  <cell id="731" material="void" name="x = 0, y = 3, z = 7" region="1 -4 11 -14 24 -27" universe="1" />
-  <cell id="732" material="void" name="x = 1, y = 3, z = 7" region="4 -7 11 -14 24 -27" universe="1" />
-  <cell id="733" material="void" name="x = 2, y = 3, z = 7" region="7 -10 11 -14 24 -27" universe="1" />
-  <cell id="734" material="void" name="x = 3, y = 3, z = 7" region="10 -13 11 -14 24 -27" universe="1" />
-  <cell id="735" material="void" name="x = 4, y = 3, z = 7" region="13 -16 11 -14 24 -27" universe="1" />
-  <cell id="736" material="void" name="x = 5, y = 3, z = 7" region="16 -19 11 -14 24 -27" universe="1" />
-  <cell id="737" material="void" name="x = 6, y = 3, z = 7" region="19 -22 11 -14 24 -27" universe="1" />
-  <cell id="738" material="void" name="x = 7, y = 3, z = 7" region="22 -25 11 -14 24 -27" universe="1" />
-  <cell id="739" material="void" name="x = 8, y = 3, z = 7" region="25 -28 11 -14 24 -27" universe="1" />
-  <cell id="740" material="void" name="x = 9, y = 3, z = 7" region="28 -31 11 -14 24 -27" universe="1" />
-  <cell id="741" material="void" name="x = 0, y = 4, z = 7" region="1 -4 14 -17 24 -27" universe="1" />
-  <cell id="742" material="void" name="x = 1, y = 4, z = 7" region="4 -7 14 -17 24 -27" universe="1" />
-  <cell id="743" material="void" name="x = 2, y = 4, z = 7" region="7 -10 14 -17 24 -27" universe="1" />
-  <cell id="744" material="void" name="x = 3, y = 4, z = 7" region="10 -13 14 -17 24 -27" universe="1" />
-  <cell id="745" material="void" name="x = 4, y = 4, z = 7" region="13 -16 14 -17 24 -27" universe="1" />
-  <cell id="746" material="void" name="x = 5, y = 4, z = 7" region="16 -19 14 -17 24 -27" universe="1" />
-  <cell id="747" material="void" name="x = 6, y = 4, z = 7" region="19 -22 14 -17 24 -27" universe="1" />
-  <cell id="748" material="void" name="x = 7, y = 4, z = 7" region="22 -25 14 -17 24 -27" universe="1" />
-  <cell id="749" material="void" name="x = 8, y = 4, z = 7" region="25 -28 14 -17 24 -27" universe="1" />
-  <cell id="750" material="void" name="x = 9, y = 4, z = 7" region="28 -31 14 -17 24 -27" universe="1" />
-  <cell id="751" material="void" name="x = 0, y = 5, z = 7" region="1 -4 17 -20 24 -27" universe="1" />
-  <cell id="752" material="void" name="x = 1, y = 5, z = 7" region="4 -7 17 -20 24 -27" universe="1" />
-  <cell id="753" material="void" name="x = 2, y = 5, z = 7" region="7 -10 17 -20 24 -27" universe="1" />
-  <cell id="754" material="void" name="x = 3, y = 5, z = 7" region="10 -13 17 -20 24 -27" universe="1" />
-  <cell id="755" material="void" name="x = 4, y = 5, z = 7" region="13 -16 17 -20 24 -27" universe="1" />
-  <cell id="756" material="void" name="x = 5, y = 5, z = 7" region="16 -19 17 -20 24 -27" universe="1" />
-  <cell id="757" material="void" name="x = 6, y = 5, z = 7" region="19 -22 17 -20 24 -27" universe="1" />
-  <cell id="758" material="void" name="x = 7, y = 5, z = 7" region="22 -25 17 -20 24 -27" universe="1" />
-  <cell id="759" material="void" name="x = 8, y = 5, z = 7" region="25 -28 17 -20 24 -27" universe="1" />
-  <cell id="760" material="void" name="x = 9, y = 5, z = 7" region="28 -31 17 -20 24 -27" universe="1" />
-  <cell id="761" material="void" name="x = 0, y = 6, z = 7" region="1 -4 20 -23 24 -27" universe="1" />
-  <cell id="762" material="void" name="x = 1, y = 6, z = 7" region="4 -7 20 -23 24 -27" universe="1" />
-  <cell id="763" material="void" name="x = 2, y = 6, z = 7" region="7 -10 20 -23 24 -27" universe="1" />
-  <cell id="764" material="void" name="x = 3, y = 6, z = 7" region="10 -13 20 -23 24 -27" universe="1" />
-  <cell id="765" material="void" name="x = 4, y = 6, z = 7" region="13 -16 20 -23 24 -27" universe="1" />
-  <cell id="766" material="void" name="x = 5, y = 6, z = 7" region="16 -19 20 -23 24 -27" universe="1" />
-  <cell id="767" material="void" name="x = 6, y = 6, z = 7" region="19 -22 20 -23 24 -27" universe="1" />
-  <cell id="768" material="void" name="x = 7, y = 6, z = 7" region="22 -25 20 -23 24 -27" universe="1" />
-  <cell id="769" material="void" name="x = 8, y = 6, z = 7" region="25 -28 20 -23 24 -27" universe="1" />
-  <cell id="770" material="void" name="x = 9, y = 6, z = 7" region="28 -31 20 -23 24 -27" universe="1" />
-  <cell id="771" material="void" name="x = 0, y = 7, z = 7" region="1 -4 23 -26 24 -27" universe="1" />
-  <cell id="772" material="void" name="x = 1, y = 7, z = 7" region="4 -7 23 -26 24 -27" universe="1" />
-  <cell id="773" material="void" name="x = 2, y = 7, z = 7" region="7 -10 23 -26 24 -27" universe="1" />
-  <cell id="774" material="void" name="x = 3, y = 7, z = 7" region="10 -13 23 -26 24 -27" universe="1" />
-  <cell id="775" material="void" name="x = 4, y = 7, z = 7" region="13 -16 23 -26 24 -27" universe="1" />
-  <cell id="776" material="void" name="x = 5, y = 7, z = 7" region="16 -19 23 -26 24 -27" universe="1" />
-  <cell id="777" material="void" name="x = 6, y = 7, z = 7" region="19 -22 23 -26 24 -27" universe="1" />
-  <cell id="778" material="void" name="x = 7, y = 7, z = 7" region="22 -25 23 -26 24 -27" universe="1" />
-  <cell id="779" material="void" name="x = 8, y = 7, z = 7" region="25 -28 23 -26 24 -27" universe="1" />
-  <cell id="780" material="void" name="x = 9, y = 7, z = 7" region="28 -31 23 -26 24 -27" universe="1" />
-  <cell id="781" material="void" name="x = 0, y = 8, z = 7" region="1 -4 26 -29 24 -27" universe="1" />
-  <cell id="782" material="void" name="x = 1, y = 8, z = 7" region="4 -7 26 -29 24 -27" universe="1" />
-  <cell id="783" material="void" name="x = 2, y = 8, z = 7" region="7 -10 26 -29 24 -27" universe="1" />
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-  <cell id="790" material="void" name="x = 9, y = 8, z = 7" region="28 -31 26 -29 24 -27" universe="1" />
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-  <cell id="795" material="void" name="x = 4, y = 9, z = 7" region="13 -16 29 -32 24 -27" universe="1" />
-  <cell id="796" material="void" name="x = 5, y = 9, z = 7" region="16 -19 29 -32 24 -27" universe="1" />
-  <cell id="797" material="void" name="x = 6, y = 9, z = 7" region="19 -22 29 -32 24 -27" universe="1" />
-  <cell id="798" material="void" name="x = 7, y = 9, z = 7" region="22 -25 29 -32 24 -27" universe="1" />
-  <cell id="799" material="void" name="x = 8, y = 9, z = 7" region="25 -28 29 -32 24 -27" universe="1" />
-  <cell id="800" material="void" name="x = 9, y = 9, z = 7" region="28 -31 29 -32 24 -27" universe="1" />
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-  <cell id="846" material="void" name="x = 5, y = 4, z = 8" region="16 -19 14 -17 27 -30" universe="1" />
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-  <cell id="866" material="void" name="x = 5, y = 6, z = 8" region="16 -19 20 -23 27 -30" universe="1" />
-  <cell id="867" material="void" name="x = 6, y = 6, z = 8" region="19 -22 20 -23 27 -30" universe="1" />
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-  <cell id="869" material="void" name="x = 8, y = 6, z = 8" region="25 -28 20 -23 27 -30" universe="1" />
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-  <cell id="875" material="void" name="x = 4, y = 7, z = 8" region="13 -16 23 -26 27 -30" universe="1" />
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-  <cell id="879" material="void" name="x = 8, y = 7, z = 8" region="25 -28 23 -26 27 -30" universe="1" />
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-  <cell id="885" material="void" name="x = 4, y = 8, z = 8" region="13 -16 26 -29 27 -30" universe="1" />
-  <cell id="886" material="void" name="x = 5, y = 8, z = 8" region="16 -19 26 -29 27 -30" universe="1" />
-  <cell id="887" material="void" name="x = 6, y = 8, z = 8" region="19 -22 26 -29 27 -30" universe="1" />
-  <cell id="888" material="void" name="x = 7, y = 8, z = 8" region="22 -25 26 -29 27 -30" universe="1" />
-  <cell id="889" material="void" name="x = 8, y = 8, z = 8" region="25 -28 26 -29 27 -30" universe="1" />
-  <cell id="890" material="void" name="x = 9, y = 8, z = 8" region="28 -31 26 -29 27 -30" universe="1" />
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-  <cell id="896" material="void" name="x = 5, y = 9, z = 8" region="16 -19 29 -32 27 -30" universe="1" />
-  <cell id="897" material="void" name="x = 6, y = 9, z = 8" region="19 -22 29 -32 27 -30" universe="1" />
-  <cell id="898" material="void" name="x = 7, y = 9, z = 8" region="22 -25 29 -32 27 -30" universe="1" />
-  <cell id="899" material="void" name="x = 8, y = 9, z = 8" region="25 -28 29 -32 27 -30" universe="1" />
-  <cell id="900" material="void" name="x = 9, y = 9, z = 8" region="28 -31 29 -32 27 -30" universe="1" />
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-  <cell id="902" material="void" name="x = 1, y = 0, z = 9" region="4 -7 2 -5 30 -33" universe="1" />
-  <cell id="903" material="void" name="x = 2, y = 0, z = 9" region="7 -10 2 -5 30 -33" universe="1" />
-  <cell id="904" material="void" name="x = 3, y = 0, z = 9" region="10 -13 2 -5 30 -33" universe="1" />
-  <cell id="905" material="void" name="x = 4, y = 0, z = 9" region="13 -16 2 -5 30 -33" universe="1" />
-  <cell id="906" material="void" name="x = 5, y = 0, z = 9" region="16 -19 2 -5 30 -33" universe="1" />
-  <cell id="907" material="void" name="x = 6, y = 0, z = 9" region="19 -22 2 -5 30 -33" universe="1" />
-  <cell id="908" material="void" name="x = 7, y = 0, z = 9" region="22 -25 2 -5 30 -33" universe="1" />
-  <cell id="909" material="void" name="x = 8, y = 0, z = 9" region="25 -28 2 -5 30 -33" universe="1" />
-  <cell id="910" material="void" name="x = 9, y = 0, z = 9" region="28 -31 2 -5 30 -33" universe="1" />
-  <cell id="911" material="void" name="x = 0, y = 1, z = 9" region="1 -4 5 -8 30 -33" universe="1" />
-  <cell id="912" material="void" name="x = 1, y = 1, z = 9" region="4 -7 5 -8 30 -33" universe="1" />
-  <cell id="913" material="void" name="x = 2, y = 1, z = 9" region="7 -10 5 -8 30 -33" universe="1" />
-  <cell id="914" material="void" name="x = 3, y = 1, z = 9" region="10 -13 5 -8 30 -33" universe="1" />
-  <cell id="915" material="void" name="x = 4, y = 1, z = 9" region="13 -16 5 -8 30 -33" universe="1" />
-  <cell id="916" material="void" name="x = 5, y = 1, z = 9" region="16 -19 5 -8 30 -33" universe="1" />
-  <cell id="917" material="void" name="x = 6, y = 1, z = 9" region="19 -22 5 -8 30 -33" universe="1" />
-  <cell id="918" material="void" name="x = 7, y = 1, z = 9" region="22 -25 5 -8 30 -33" universe="1" />
-  <cell id="919" material="void" name="x = 8, y = 1, z = 9" region="25 -28 5 -8 30 -33" universe="1" />
-  <cell id="920" material="void" name="x = 9, y = 1, z = 9" region="28 -31 5 -8 30 -33" universe="1" />
-  <cell id="921" material="void" name="x = 0, y = 2, z = 9" region="1 -4 8 -11 30 -33" universe="1" />
-  <cell id="922" material="void" name="x = 1, y = 2, z = 9" region="4 -7 8 -11 30 -33" universe="1" />
-  <cell id="923" material="void" name="x = 2, y = 2, z = 9" region="7 -10 8 -11 30 -33" universe="1" />
-  <cell id="924" material="void" name="x = 3, y = 2, z = 9" region="10 -13 8 -11 30 -33" universe="1" />
-  <cell id="925" material="void" name="x = 4, y = 2, z = 9" region="13 -16 8 -11 30 -33" universe="1" />
-  <cell id="926" material="void" name="x = 5, y = 2, z = 9" region="16 -19 8 -11 30 -33" universe="1" />
-  <cell id="927" material="void" name="x = 6, y = 2, z = 9" region="19 -22 8 -11 30 -33" universe="1" />
-  <cell id="928" material="void" name="x = 7, y = 2, z = 9" region="22 -25 8 -11 30 -33" universe="1" />
-  <cell id="929" material="void" name="x = 8, y = 2, z = 9" region="25 -28 8 -11 30 -33" universe="1" />
-  <cell id="930" material="void" name="x = 9, y = 2, z = 9" region="28 -31 8 -11 30 -33" universe="1" />
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-  <cell id="932" material="void" name="x = 1, y = 3, z = 9" region="4 -7 11 -14 30 -33" universe="1" />
-  <cell id="933" material="void" name="x = 2, y = 3, z = 9" region="7 -10 11 -14 30 -33" universe="1" />
-  <cell id="934" material="void" name="x = 3, y = 3, z = 9" region="10 -13 11 -14 30 -33" universe="1" />
-  <cell id="935" material="void" name="x = 4, y = 3, z = 9" region="13 -16 11 -14 30 -33" universe="1" />
-  <cell id="936" material="void" name="x = 5, y = 3, z = 9" region="16 -19 11 -14 30 -33" universe="1" />
-  <cell id="937" material="void" name="x = 6, y = 3, z = 9" region="19 -22 11 -14 30 -33" universe="1" />
-  <cell id="938" material="void" name="x = 7, y = 3, z = 9" region="22 -25 11 -14 30 -33" universe="1" />
-  <cell id="939" material="void" name="x = 8, y = 3, z = 9" region="25 -28 11 -14 30 -33" universe="1" />
-  <cell id="940" material="void" name="x = 9, y = 3, z = 9" region="28 -31 11 -14 30 -33" universe="1" />
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-  <cell id="943" material="void" name="x = 2, y = 4, z = 9" region="7 -10 14 -17 30 -33" universe="1" />
-  <cell id="944" material="void" name="x = 3, y = 4, z = 9" region="10 -13 14 -17 30 -33" universe="1" />
-  <cell id="945" material="void" name="x = 4, y = 4, z = 9" region="13 -16 14 -17 30 -33" universe="1" />
-  <cell id="946" material="void" name="x = 5, y = 4, z = 9" region="16 -19 14 -17 30 -33" universe="1" />
-  <cell id="947" material="void" name="x = 6, y = 4, z = 9" region="19 -22 14 -17 30 -33" universe="1" />
-  <cell id="948" material="void" name="x = 7, y = 4, z = 9" region="22 -25 14 -17 30 -33" universe="1" />
-  <cell id="949" material="void" name="x = 8, y = 4, z = 9" region="25 -28 14 -17 30 -33" universe="1" />
-  <cell id="950" material="void" name="x = 9, y = 4, z = 9" region="28 -31 14 -17 30 -33" universe="1" />
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-  <cell id="954" material="void" name="x = 3, y = 5, z = 9" region="10 -13 17 -20 30 -33" universe="1" />
-  <cell id="955" material="void" name="x = 4, y = 5, z = 9" region="13 -16 17 -20 30 -33" universe="1" />
-  <cell id="956" material="void" name="x = 5, y = 5, z = 9" region="16 -19 17 -20 30 -33" universe="1" />
-  <cell id="957" material="void" name="x = 6, y = 5, z = 9" region="19 -22 17 -20 30 -33" universe="1" />
-  <cell id="958" material="void" name="x = 7, y = 5, z = 9" region="22 -25 17 -20 30 -33" universe="1" />
-  <cell id="959" material="void" name="x = 8, y = 5, z = 9" region="25 -28 17 -20 30 -33" universe="1" />
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+  <lattice id="1001">
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+    <lower_left>-10 -10 -10</lower_left>
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+
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+
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+901 902 903 904 905 906 907 908 909 910 </universes>
+  </lattice>
+  <surface boundary="vacuum" coeffs="-10" id="1" type="x-plane" />
+  <surface boundary="vacuum" coeffs="10" id="2" type="x-plane" />
+  <surface boundary="vacuum" coeffs="-10" id="3" type="y-plane" />
+  <surface boundary="vacuum" coeffs="10" id="4" type="y-plane" />
+  <surface boundary="vacuum" coeffs="-10" id="5" type="z-plane" />
+  <surface boundary="vacuum" coeffs="10" id="6" type="z-plane" />
 </geometry>
 <?xml version='1.0' encoding='utf-8'?>
 <materials>
diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true1.dat b/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true1.dat
index 43942c473..dcb56d403 100644
--- a/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true1.dat
+++ b/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true1.dat
@@ -1,1038 +1,1127 @@
 <?xml version='1.0' encoding='utf-8'?>
 <geometry>
-  <cell id="1" material="void" name="x = 0, y = 0, z = 0" region="1 -4 2 -5 3 -6" universe="1" />
-  <cell id="2" material="void" name="x = 1, y = 0, z = 0" region="4 -7 2 -5 3 -6" universe="1" />
-  <cell id="3" material="void" name="x = 2, y = 0, z = 0" region="7 -10 2 -5 3 -6" universe="1" />
-  <cell id="4" material="void" name="x = 3, y = 0, z = 0" region="10 -13 2 -5 3 -6" universe="1" />
-  <cell id="5" material="void" name="x = 4, y = 0, z = 0" region="13 -16 2 -5 3 -6" universe="1" />
-  <cell id="6" material="void" name="x = 5, y = 0, z = 0" region="16 -19 2 -5 3 -6" universe="1" />
-  <cell id="7" material="void" name="x = 6, y = 0, z = 0" region="19 -22 2 -5 3 -6" universe="1" />
-  <cell id="8" material="void" name="x = 7, y = 0, z = 0" region="22 -25 2 -5 3 -6" universe="1" />
-  <cell id="9" material="void" name="x = 8, y = 0, z = 0" region="25 -28 2 -5 3 -6" universe="1" />
-  <cell id="10" material="void" name="x = 9, y = 0, z = 0" region="28 -31 2 -5 3 -6" universe="1" />
-  <cell id="11" material="void" name="x = 0, y = 1, z = 0" region="1 -4 5 -8 3 -6" universe="1" />
-  <cell id="12" material="void" name="x = 1, y = 1, z = 0" region="4 -7 5 -8 3 -6" universe="1" />
-  <cell id="13" material="void" name="x = 2, y = 1, z = 0" region="7 -10 5 -8 3 -6" universe="1" />
-  <cell id="14" material="void" name="x = 3, y = 1, z = 0" region="10 -13 5 -8 3 -6" universe="1" />
-  <cell id="15" material="void" name="x = 4, y = 1, z = 0" region="13 -16 5 -8 3 -6" universe="1" />
-  <cell id="16" material="void" name="x = 5, y = 1, z = 0" region="16 -19 5 -8 3 -6" universe="1" />
-  <cell id="17" material="void" name="x = 6, y = 1, z = 0" region="19 -22 5 -8 3 -6" universe="1" />
-  <cell id="18" material="void" name="x = 7, y = 1, z = 0" region="22 -25 5 -8 3 -6" universe="1" />
-  <cell id="19" material="void" name="x = 8, y = 1, z = 0" region="25 -28 5 -8 3 -6" universe="1" />
-  <cell id="20" material="void" name="x = 9, y = 1, z = 0" region="28 -31 5 -8 3 -6" universe="1" />
-  <cell id="21" material="void" name="x = 0, y = 2, z = 0" region="1 -4 8 -11 3 -6" universe="1" />
-  <cell id="22" material="void" name="x = 1, y = 2, z = 0" region="4 -7 8 -11 3 -6" universe="1" />
-  <cell id="23" material="void" name="x = 2, y = 2, z = 0" region="7 -10 8 -11 3 -6" universe="1" />
-  <cell id="24" material="void" name="x = 3, y = 2, z = 0" region="10 -13 8 -11 3 -6" universe="1" />
-  <cell id="25" material="void" name="x = 4, y = 2, z = 0" region="13 -16 8 -11 3 -6" universe="1" />
-  <cell id="26" material="void" name="x = 5, y = 2, z = 0" region="16 -19 8 -11 3 -6" universe="1" />
-  <cell id="27" material="void" name="x = 6, y = 2, z = 0" region="19 -22 8 -11 3 -6" universe="1" />
-  <cell id="28" material="void" name="x = 7, y = 2, z = 0" region="22 -25 8 -11 3 -6" universe="1" />
-  <cell id="29" material="void" name="x = 8, y = 2, z = 0" region="25 -28 8 -11 3 -6" universe="1" />
-  <cell id="30" material="void" name="x = 9, y = 2, z = 0" region="28 -31 8 -11 3 -6" universe="1" />
-  <cell id="31" material="void" name="x = 0, y = 3, z = 0" region="1 -4 11 -14 3 -6" universe="1" />
-  <cell id="32" material="void" name="x = 1, y = 3, z = 0" region="4 -7 11 -14 3 -6" universe="1" />
-  <cell id="33" material="void" name="x = 2, y = 3, z = 0" region="7 -10 11 -14 3 -6" universe="1" />
-  <cell id="34" material="void" name="x = 3, y = 3, z = 0" region="10 -13 11 -14 3 -6" universe="1" />
-  <cell id="35" material="void" name="x = 4, y = 3, z = 0" region="13 -16 11 -14 3 -6" universe="1" />
-  <cell id="36" material="void" name="x = 5, y = 3, z = 0" region="16 -19 11 -14 3 -6" universe="1" />
-  <cell id="37" material="void" name="x = 6, y = 3, z = 0" region="19 -22 11 -14 3 -6" universe="1" />
-  <cell id="38" material="void" name="x = 7, y = 3, z = 0" region="22 -25 11 -14 3 -6" universe="1" />
-  <cell id="39" material="void" name="x = 8, y = 3, z = 0" region="25 -28 11 -14 3 -6" universe="1" />
-  <cell id="40" material="void" name="x = 9, y = 3, z = 0" region="28 -31 11 -14 3 -6" universe="1" />
-  <cell id="41" material="void" name="x = 0, y = 4, z = 0" region="1 -4 14 -17 3 -6" universe="1" />
-  <cell id="42" material="void" name="x = 1, y = 4, z = 0" region="4 -7 14 -17 3 -6" universe="1" />
-  <cell id="43" material="void" name="x = 2, y = 4, z = 0" region="7 -10 14 -17 3 -6" universe="1" />
-  <cell id="44" material="void" name="x = 3, y = 4, z = 0" region="10 -13 14 -17 3 -6" universe="1" />
-  <cell id="45" material="void" name="x = 4, y = 4, z = 0" region="13 -16 14 -17 3 -6" universe="1" />
-  <cell id="46" material="void" name="x = 5, y = 4, z = 0" region="16 -19 14 -17 3 -6" universe="1" />
-  <cell id="47" material="void" name="x = 6, y = 4, z = 0" region="19 -22 14 -17 3 -6" universe="1" />
-  <cell id="48" material="void" name="x = 7, y = 4, z = 0" region="22 -25 14 -17 3 -6" universe="1" />
-  <cell id="49" material="void" name="x = 8, y = 4, z = 0" region="25 -28 14 -17 3 -6" universe="1" />
-  <cell id="50" material="void" name="x = 9, y = 4, z = 0" region="28 -31 14 -17 3 -6" universe="1" />
-  <cell id="51" material="void" name="x = 0, y = 5, z = 0" region="1 -4 17 -20 3 -6" universe="1" />
-  <cell id="52" material="void" name="x = 1, y = 5, z = 0" region="4 -7 17 -20 3 -6" universe="1" />
-  <cell id="53" material="void" name="x = 2, y = 5, z = 0" region="7 -10 17 -20 3 -6" universe="1" />
-  <cell id="54" material="void" name="x = 3, y = 5, z = 0" region="10 -13 17 -20 3 -6" universe="1" />
-  <cell id="55" material="void" name="x = 4, y = 5, z = 0" region="13 -16 17 -20 3 -6" universe="1" />
-  <cell id="56" material="void" name="x = 5, y = 5, z = 0" region="16 -19 17 -20 3 -6" universe="1" />
-  <cell id="57" material="void" name="x = 6, y = 5, z = 0" region="19 -22 17 -20 3 -6" universe="1" />
-  <cell id="58" material="void" name="x = 7, y = 5, z = 0" region="22 -25 17 -20 3 -6" universe="1" />
-  <cell id="59" material="void" name="x = 8, y = 5, z = 0" region="25 -28 17 -20 3 -6" universe="1" />
-  <cell id="60" material="void" name="x = 9, y = 5, z = 0" region="28 -31 17 -20 3 -6" universe="1" />
-  <cell id="61" material="void" name="x = 0, y = 6, z = 0" region="1 -4 20 -23 3 -6" universe="1" />
-  <cell id="62" material="void" name="x = 1, y = 6, z = 0" region="4 -7 20 -23 3 -6" universe="1" />
-  <cell id="63" material="void" name="x = 2, y = 6, z = 0" region="7 -10 20 -23 3 -6" universe="1" />
-  <cell id="64" material="void" name="x = 3, y = 6, z = 0" region="10 -13 20 -23 3 -6" universe="1" />
-  <cell id="65" material="void" name="x = 4, y = 6, z = 0" region="13 -16 20 -23 3 -6" universe="1" />
-  <cell id="66" material="void" name="x = 5, y = 6, z = 0" region="16 -19 20 -23 3 -6" universe="1" />
-  <cell id="67" material="void" name="x = 6, y = 6, z = 0" region="19 -22 20 -23 3 -6" universe="1" />
-  <cell id="68" material="void" name="x = 7, y = 6, z = 0" region="22 -25 20 -23 3 -6" universe="1" />
-  <cell id="69" material="void" name="x = 8, y = 6, z = 0" region="25 -28 20 -23 3 -6" universe="1" />
-  <cell id="70" material="void" name="x = 9, y = 6, z = 0" region="28 -31 20 -23 3 -6" universe="1" />
-  <cell id="71" material="void" name="x = 0, y = 7, z = 0" region="1 -4 23 -26 3 -6" universe="1" />
-  <cell id="72" material="void" name="x = 1, y = 7, z = 0" region="4 -7 23 -26 3 -6" universe="1" />
-  <cell id="73" material="void" name="x = 2, y = 7, z = 0" region="7 -10 23 -26 3 -6" universe="1" />
-  <cell id="74" material="void" name="x = 3, y = 7, z = 0" region="10 -13 23 -26 3 -6" universe="1" />
-  <cell id="75" material="void" name="x = 4, y = 7, z = 0" region="13 -16 23 -26 3 -6" universe="1" />
-  <cell id="76" material="void" name="x = 5, y = 7, z = 0" region="16 -19 23 -26 3 -6" universe="1" />
-  <cell id="77" material="void" name="x = 6, y = 7, z = 0" region="19 -22 23 -26 3 -6" universe="1" />
-  <cell id="78" material="void" name="x = 7, y = 7, z = 0" region="22 -25 23 -26 3 -6" universe="1" />
-  <cell id="79" material="void" name="x = 8, y = 7, z = 0" region="25 -28 23 -26 3 -6" universe="1" />
-  <cell id="80" material="void" name="x = 9, y = 7, z = 0" region="28 -31 23 -26 3 -6" universe="1" />
-  <cell id="81" material="void" name="x = 0, y = 8, z = 0" region="1 -4 26 -29 3 -6" universe="1" />
-  <cell id="82" material="void" name="x = 1, y = 8, z = 0" region="4 -7 26 -29 3 -6" universe="1" />
-  <cell id="83" material="void" name="x = 2, y = 8, z = 0" region="7 -10 26 -29 3 -6" universe="1" />
-  <cell id="84" material="void" name="x = 3, y = 8, z = 0" region="10 -13 26 -29 3 -6" universe="1" />
-  <cell id="85" material="void" name="x = 4, y = 8, z = 0" region="13 -16 26 -29 3 -6" universe="1" />
-  <cell id="86" material="void" name="x = 5, y = 8, z = 0" region="16 -19 26 -29 3 -6" universe="1" />
-  <cell id="87" material="void" name="x = 6, y = 8, z = 0" region="19 -22 26 -29 3 -6" universe="1" />
-  <cell id="88" material="void" name="x = 7, y = 8, z = 0" region="22 -25 26 -29 3 -6" universe="1" />
-  <cell id="89" material="void" name="x = 8, y = 8, z = 0" region="25 -28 26 -29 3 -6" universe="1" />
-  <cell id="90" material="void" name="x = 9, y = 8, z = 0" region="28 -31 26 -29 3 -6" universe="1" />
-  <cell id="91" material="void" name="x = 0, y = 9, z = 0" region="1 -4 29 -32 3 -6" universe="1" />
-  <cell id="92" material="void" name="x = 1, y = 9, z = 0" region="4 -7 29 -32 3 -6" universe="1" />
-  <cell id="93" material="void" name="x = 2, y = 9, z = 0" region="7 -10 29 -32 3 -6" universe="1" />
-  <cell id="94" material="void" name="x = 3, y = 9, z = 0" region="10 -13 29 -32 3 -6" universe="1" />
-  <cell id="95" material="void" name="x = 4, y = 9, z = 0" region="13 -16 29 -32 3 -6" universe="1" />
-  <cell id="96" material="void" name="x = 5, y = 9, z = 0" region="16 -19 29 -32 3 -6" universe="1" />
-  <cell id="97" material="void" name="x = 6, y = 9, z = 0" region="19 -22 29 -32 3 -6" universe="1" />
-  <cell id="98" material="void" name="x = 7, y = 9, z = 0" region="22 -25 29 -32 3 -6" universe="1" />
-  <cell id="99" material="void" name="x = 8, y = 9, z = 0" region="25 -28 29 -32 3 -6" universe="1" />
-  <cell id="100" material="void" name="x = 9, y = 9, z = 0" region="28 -31 29 -32 3 -6" universe="1" />
-  <cell id="101" material="void" name="x = 0, y = 0, z = 1" region="1 -4 2 -5 6 -9" universe="1" />
-  <cell id="102" material="void" name="x = 1, y = 0, z = 1" region="4 -7 2 -5 6 -9" universe="1" />
-  <cell id="103" material="void" name="x = 2, y = 0, z = 1" region="7 -10 2 -5 6 -9" universe="1" />
-  <cell id="104" material="void" name="x = 3, y = 0, z = 1" region="10 -13 2 -5 6 -9" universe="1" />
-  <cell id="105" material="void" name="x = 4, y = 0, z = 1" region="13 -16 2 -5 6 -9" universe="1" />
-  <cell id="106" material="void" name="x = 5, y = 0, z = 1" region="16 -19 2 -5 6 -9" universe="1" />
-  <cell id="107" material="void" name="x = 6, y = 0, z = 1" region="19 -22 2 -5 6 -9" universe="1" />
-  <cell id="108" material="void" name="x = 7, y = 0, z = 1" region="22 -25 2 -5 6 -9" universe="1" />
-  <cell id="109" material="void" name="x = 8, y = 0, z = 1" region="25 -28 2 -5 6 -9" universe="1" />
-  <cell id="110" material="void" name="x = 9, y = 0, z = 1" region="28 -31 2 -5 6 -9" universe="1" />
-  <cell id="111" material="void" name="x = 0, y = 1, z = 1" region="1 -4 5 -8 6 -9" universe="1" />
-  <cell id="112" material="void" name="x = 1, y = 1, z = 1" region="4 -7 5 -8 6 -9" universe="1" />
-  <cell id="113" material="void" name="x = 2, y = 1, z = 1" region="7 -10 5 -8 6 -9" universe="1" />
-  <cell id="114" material="void" name="x = 3, y = 1, z = 1" region="10 -13 5 -8 6 -9" universe="1" />
-  <cell id="115" material="void" name="x = 4, y = 1, z = 1" region="13 -16 5 -8 6 -9" universe="1" />
-  <cell id="116" material="void" name="x = 5, y = 1, z = 1" region="16 -19 5 -8 6 -9" universe="1" />
-  <cell id="117" material="void" name="x = 6, y = 1, z = 1" region="19 -22 5 -8 6 -9" universe="1" />
-  <cell id="118" material="void" name="x = 7, y = 1, z = 1" region="22 -25 5 -8 6 -9" universe="1" />
-  <cell id="119" material="void" name="x = 8, y = 1, z = 1" region="25 -28 5 -8 6 -9" universe="1" />
-  <cell id="120" material="void" name="x = 9, y = 1, z = 1" region="28 -31 5 -8 6 -9" universe="1" />
-  <cell id="121" material="void" name="x = 0, y = 2, z = 1" region="1 -4 8 -11 6 -9" universe="1" />
-  <cell id="122" material="void" name="x = 1, y = 2, z = 1" region="4 -7 8 -11 6 -9" universe="1" />
-  <cell id="123" material="void" name="x = 2, y = 2, z = 1" region="7 -10 8 -11 6 -9" universe="1" />
-  <cell id="124" material="void" name="x = 3, y = 2, z = 1" region="10 -13 8 -11 6 -9" universe="1" />
-  <cell id="125" material="void" name="x = 4, y = 2, z = 1" region="13 -16 8 -11 6 -9" universe="1" />
-  <cell id="126" material="void" name="x = 5, y = 2, z = 1" region="16 -19 8 -11 6 -9" universe="1" />
-  <cell id="127" material="void" name="x = 6, y = 2, z = 1" region="19 -22 8 -11 6 -9" universe="1" />
-  <cell id="128" material="void" name="x = 7, y = 2, z = 1" region="22 -25 8 -11 6 -9" universe="1" />
-  <cell id="129" material="void" name="x = 8, y = 2, z = 1" region="25 -28 8 -11 6 -9" universe="1" />
-  <cell id="130" material="void" name="x = 9, y = 2, z = 1" region="28 -31 8 -11 6 -9" universe="1" />
-  <cell id="131" material="void" name="x = 0, y = 3, z = 1" region="1 -4 11 -14 6 -9" universe="1" />
-  <cell id="132" material="void" name="x = 1, y = 3, z = 1" region="4 -7 11 -14 6 -9" universe="1" />
-  <cell id="133" material="void" name="x = 2, y = 3, z = 1" region="7 -10 11 -14 6 -9" universe="1" />
-  <cell id="134" material="void" name="x = 3, y = 3, z = 1" region="10 -13 11 -14 6 -9" universe="1" />
-  <cell id="135" material="void" name="x = 4, y = 3, z = 1" region="13 -16 11 -14 6 -9" universe="1" />
-  <cell id="136" material="void" name="x = 5, y = 3, z = 1" region="16 -19 11 -14 6 -9" universe="1" />
-  <cell id="137" material="void" name="x = 6, y = 3, z = 1" region="19 -22 11 -14 6 -9" universe="1" />
-  <cell id="138" material="void" name="x = 7, y = 3, z = 1" region="22 -25 11 -14 6 -9" universe="1" />
-  <cell id="139" material="void" name="x = 8, y = 3, z = 1" region="25 -28 11 -14 6 -9" universe="1" />
-  <cell id="140" material="void" name="x = 9, y = 3, z = 1" region="28 -31 11 -14 6 -9" universe="1" />
-  <cell id="141" material="void" name="x = 0, y = 4, z = 1" region="1 -4 14 -17 6 -9" universe="1" />
-  <cell id="142" material="void" name="x = 1, y = 4, z = 1" region="4 -7 14 -17 6 -9" universe="1" />
-  <cell id="143" material="void" name="x = 2, y = 4, z = 1" region="7 -10 14 -17 6 -9" universe="1" />
-  <cell id="144" material="void" name="x = 3, y = 4, z = 1" region="10 -13 14 -17 6 -9" universe="1" />
-  <cell id="145" material="void" name="x = 4, y = 4, z = 1" region="13 -16 14 -17 6 -9" universe="1" />
-  <cell id="146" material="void" name="x = 5, y = 4, z = 1" region="16 -19 14 -17 6 -9" universe="1" />
-  <cell id="147" material="void" name="x = 6, y = 4, z = 1" region="19 -22 14 -17 6 -9" universe="1" />
-  <cell id="148" material="void" name="x = 7, y = 4, z = 1" region="22 -25 14 -17 6 -9" universe="1" />
-  <cell id="149" material="void" name="x = 8, y = 4, z = 1" region="25 -28 14 -17 6 -9" universe="1" />
-  <cell id="150" material="void" name="x = 9, y = 4, z = 1" region="28 -31 14 -17 6 -9" universe="1" />
-  <cell id="151" material="void" name="x = 0, y = 5, z = 1" region="1 -4 17 -20 6 -9" universe="1" />
-  <cell id="152" material="void" name="x = 1, y = 5, z = 1" region="4 -7 17 -20 6 -9" universe="1" />
-  <cell id="153" material="void" name="x = 2, y = 5, z = 1" region="7 -10 17 -20 6 -9" universe="1" />
-  <cell id="154" material="void" name="x = 3, y = 5, z = 1" region="10 -13 17 -20 6 -9" universe="1" />
-  <cell id="155" material="void" name="x = 4, y = 5, z = 1" region="13 -16 17 -20 6 -9" universe="1" />
-  <cell id="156" material="void" name="x = 5, y = 5, z = 1" region="16 -19 17 -20 6 -9" universe="1" />
-  <cell id="157" material="void" name="x = 6, y = 5, z = 1" region="19 -22 17 -20 6 -9" universe="1" />
-  <cell id="158" material="void" name="x = 7, y = 5, z = 1" region="22 -25 17 -20 6 -9" universe="1" />
-  <cell id="159" material="void" name="x = 8, y = 5, z = 1" region="25 -28 17 -20 6 -9" universe="1" />
-  <cell id="160" material="void" name="x = 9, y = 5, z = 1" region="28 -31 17 -20 6 -9" universe="1" />
-  <cell id="161" material="void" name="x = 0, y = 6, z = 1" region="1 -4 20 -23 6 -9" universe="1" />
-  <cell id="162" material="void" name="x = 1, y = 6, z = 1" region="4 -7 20 -23 6 -9" universe="1" />
-  <cell id="163" material="void" name="x = 2, y = 6, z = 1" region="7 -10 20 -23 6 -9" universe="1" />
-  <cell id="164" material="void" name="x = 3, y = 6, z = 1" region="10 -13 20 -23 6 -9" universe="1" />
-  <cell id="165" material="void" name="x = 4, y = 6, z = 1" region="13 -16 20 -23 6 -9" universe="1" />
-  <cell id="166" material="void" name="x = 5, y = 6, z = 1" region="16 -19 20 -23 6 -9" universe="1" />
-  <cell id="167" material="void" name="x = 6, y = 6, z = 1" region="19 -22 20 -23 6 -9" universe="1" />
-  <cell id="168" material="void" name="x = 7, y = 6, z = 1" region="22 -25 20 -23 6 -9" universe="1" />
-  <cell id="169" material="void" name="x = 8, y = 6, z = 1" region="25 -28 20 -23 6 -9" universe="1" />
-  <cell id="170" material="void" name="x = 9, y = 6, z = 1" region="28 -31 20 -23 6 -9" universe="1" />
-  <cell id="171" material="void" name="x = 0, y = 7, z = 1" region="1 -4 23 -26 6 -9" universe="1" />
-  <cell id="172" material="void" name="x = 1, y = 7, z = 1" region="4 -7 23 -26 6 -9" universe="1" />
-  <cell id="173" material="void" name="x = 2, y = 7, z = 1" region="7 -10 23 -26 6 -9" universe="1" />
-  <cell id="174" material="void" name="x = 3, y = 7, z = 1" region="10 -13 23 -26 6 -9" universe="1" />
-  <cell id="175" material="void" name="x = 4, y = 7, z = 1" region="13 -16 23 -26 6 -9" universe="1" />
-  <cell id="176" material="void" name="x = 5, y = 7, z = 1" region="16 -19 23 -26 6 -9" universe="1" />
-  <cell id="177" material="void" name="x = 6, y = 7, z = 1" region="19 -22 23 -26 6 -9" universe="1" />
-  <cell id="178" material="void" name="x = 7, y = 7, z = 1" region="22 -25 23 -26 6 -9" universe="1" />
-  <cell id="179" material="void" name="x = 8, y = 7, z = 1" region="25 -28 23 -26 6 -9" universe="1" />
-  <cell id="180" material="void" name="x = 9, y = 7, z = 1" region="28 -31 23 -26 6 -9" universe="1" />
-  <cell id="181" material="void" name="x = 0, y = 8, z = 1" region="1 -4 26 -29 6 -9" universe="1" />
-  <cell id="182" material="void" name="x = 1, y = 8, z = 1" region="4 -7 26 -29 6 -9" universe="1" />
-  <cell id="183" material="void" name="x = 2, y = 8, z = 1" region="7 -10 26 -29 6 -9" universe="1" />
-  <cell id="184" material="void" name="x = 3, y = 8, z = 1" region="10 -13 26 -29 6 -9" universe="1" />
-  <cell id="185" material="void" name="x = 4, y = 8, z = 1" region="13 -16 26 -29 6 -9" universe="1" />
-  <cell id="186" material="void" name="x = 5, y = 8, z = 1" region="16 -19 26 -29 6 -9" universe="1" />
-  <cell id="187" material="void" name="x = 6, y = 8, z = 1" region="19 -22 26 -29 6 -9" universe="1" />
-  <cell id="188" material="void" name="x = 7, y = 8, z = 1" region="22 -25 26 -29 6 -9" universe="1" />
-  <cell id="189" material="void" name="x = 8, y = 8, z = 1" region="25 -28 26 -29 6 -9" universe="1" />
-  <cell id="190" material="void" name="x = 9, y = 8, z = 1" region="28 -31 26 -29 6 -9" universe="1" />
-  <cell id="191" material="void" name="x = 0, y = 9, z = 1" region="1 -4 29 -32 6 -9" universe="1" />
-  <cell id="192" material="void" name="x = 1, y = 9, z = 1" region="4 -7 29 -32 6 -9" universe="1" />
-  <cell id="193" material="void" name="x = 2, y = 9, z = 1" region="7 -10 29 -32 6 -9" universe="1" />
-  <cell id="194" material="void" name="x = 3, y = 9, z = 1" region="10 -13 29 -32 6 -9" universe="1" />
-  <cell id="195" material="void" name="x = 4, y = 9, z = 1" region="13 -16 29 -32 6 -9" universe="1" />
-  <cell id="196" material="void" name="x = 5, y = 9, z = 1" region="16 -19 29 -32 6 -9" universe="1" />
-  <cell id="197" material="void" name="x = 6, y = 9, z = 1" region="19 -22 29 -32 6 -9" universe="1" />
-  <cell id="198" material="void" name="x = 7, y = 9, z = 1" region="22 -25 29 -32 6 -9" universe="1" />
-  <cell id="199" material="void" name="x = 8, y = 9, z = 1" region="25 -28 29 -32 6 -9" universe="1" />
-  <cell id="200" material="void" name="x = 9, y = 9, z = 1" region="28 -31 29 -32 6 -9" universe="1" />
-  <cell id="201" material="void" name="x = 0, y = 0, z = 2" region="1 -4 2 -5 9 -12" universe="1" />
-  <cell id="202" material="void" name="x = 1, y = 0, z = 2" region="4 -7 2 -5 9 -12" universe="1" />
-  <cell id="203" material="void" name="x = 2, y = 0, z = 2" region="7 -10 2 -5 9 -12" universe="1" />
-  <cell id="204" material="void" name="x = 3, y = 0, z = 2" region="10 -13 2 -5 9 -12" universe="1" />
-  <cell id="205" material="void" name="x = 4, y = 0, z = 2" region="13 -16 2 -5 9 -12" universe="1" />
-  <cell id="206" material="void" name="x = 5, y = 0, z = 2" region="16 -19 2 -5 9 -12" universe="1" />
-  <cell id="207" material="void" name="x = 6, y = 0, z = 2" region="19 -22 2 -5 9 -12" universe="1" />
-  <cell id="208" material="void" name="x = 7, y = 0, z = 2" region="22 -25 2 -5 9 -12" universe="1" />
-  <cell id="209" material="void" name="x = 8, y = 0, z = 2" region="25 -28 2 -5 9 -12" universe="1" />
-  <cell id="210" material="void" name="x = 9, y = 0, z = 2" region="28 -31 2 -5 9 -12" universe="1" />
-  <cell id="211" material="void" name="x = 0, y = 1, z = 2" region="1 -4 5 -8 9 -12" universe="1" />
-  <cell id="212" material="void" name="x = 1, y = 1, z = 2" region="4 -7 5 -8 9 -12" universe="1" />
-  <cell id="213" material="void" name="x = 2, y = 1, z = 2" region="7 -10 5 -8 9 -12" universe="1" />
-  <cell id="214" material="void" name="x = 3, y = 1, z = 2" region="10 -13 5 -8 9 -12" universe="1" />
-  <cell id="215" material="void" name="x = 4, y = 1, z = 2" region="13 -16 5 -8 9 -12" universe="1" />
-  <cell id="216" material="void" name="x = 5, y = 1, z = 2" region="16 -19 5 -8 9 -12" universe="1" />
-  <cell id="217" material="void" name="x = 6, y = 1, z = 2" region="19 -22 5 -8 9 -12" universe="1" />
-  <cell id="218" material="void" name="x = 7, y = 1, z = 2" region="22 -25 5 -8 9 -12" universe="1" />
-  <cell id="219" material="void" name="x = 8, y = 1, z = 2" region="25 -28 5 -8 9 -12" universe="1" />
-  <cell id="220" material="void" name="x = 9, y = 1, z = 2" region="28 -31 5 -8 9 -12" universe="1" />
-  <cell id="221" material="void" name="x = 0, y = 2, z = 2" region="1 -4 8 -11 9 -12" universe="1" />
-  <cell id="222" material="void" name="x = 1, y = 2, z = 2" region="4 -7 8 -11 9 -12" universe="1" />
-  <cell id="223" material="void" name="x = 2, y = 2, z = 2" region="7 -10 8 -11 9 -12" universe="1" />
-  <cell id="224" material="void" name="x = 3, y = 2, z = 2" region="10 -13 8 -11 9 -12" universe="1" />
-  <cell id="225" material="void" name="x = 4, y = 2, z = 2" region="13 -16 8 -11 9 -12" universe="1" />
-  <cell id="226" material="void" name="x = 5, y = 2, z = 2" region="16 -19 8 -11 9 -12" universe="1" />
-  <cell id="227" material="void" name="x = 6, y = 2, z = 2" region="19 -22 8 -11 9 -12" universe="1" />
-  <cell id="228" material="void" name="x = 7, y = 2, z = 2" region="22 -25 8 -11 9 -12" universe="1" />
-  <cell id="229" material="void" name="x = 8, y = 2, z = 2" region="25 -28 8 -11 9 -12" universe="1" />
-  <cell id="230" material="void" name="x = 9, y = 2, z = 2" region="28 -31 8 -11 9 -12" universe="1" />
-  <cell id="231" material="void" name="x = 0, y = 3, z = 2" region="1 -4 11 -14 9 -12" universe="1" />
-  <cell id="232" material="void" name="x = 1, y = 3, z = 2" region="4 -7 11 -14 9 -12" universe="1" />
-  <cell id="233" material="void" name="x = 2, y = 3, z = 2" region="7 -10 11 -14 9 -12" universe="1" />
-  <cell id="234" material="void" name="x = 3, y = 3, z = 2" region="10 -13 11 -14 9 -12" universe="1" />
-  <cell id="235" material="void" name="x = 4, y = 3, z = 2" region="13 -16 11 -14 9 -12" universe="1" />
-  <cell id="236" material="void" name="x = 5, y = 3, z = 2" region="16 -19 11 -14 9 -12" universe="1" />
-  <cell id="237" material="void" name="x = 6, y = 3, z = 2" region="19 -22 11 -14 9 -12" universe="1" />
-  <cell id="238" material="void" name="x = 7, y = 3, z = 2" region="22 -25 11 -14 9 -12" universe="1" />
-  <cell id="239" material="void" name="x = 8, y = 3, z = 2" region="25 -28 11 -14 9 -12" universe="1" />
-  <cell id="240" material="void" name="x = 9, y = 3, z = 2" region="28 -31 11 -14 9 -12" universe="1" />
-  <cell id="241" material="void" name="x = 0, y = 4, z = 2" region="1 -4 14 -17 9 -12" universe="1" />
-  <cell id="242" material="void" name="x = 1, y = 4, z = 2" region="4 -7 14 -17 9 -12" universe="1" />
-  <cell id="243" material="void" name="x = 2, y = 4, z = 2" region="7 -10 14 -17 9 -12" universe="1" />
-  <cell id="244" material="void" name="x = 3, y = 4, z = 2" region="10 -13 14 -17 9 -12" universe="1" />
-  <cell id="245" material="void" name="x = 4, y = 4, z = 2" region="13 -16 14 -17 9 -12" universe="1" />
-  <cell id="246" material="void" name="x = 5, y = 4, z = 2" region="16 -19 14 -17 9 -12" universe="1" />
-  <cell id="247" material="void" name="x = 6, y = 4, z = 2" region="19 -22 14 -17 9 -12" universe="1" />
-  <cell id="248" material="void" name="x = 7, y = 4, z = 2" region="22 -25 14 -17 9 -12" universe="1" />
-  <cell id="249" material="void" name="x = 8, y = 4, z = 2" region="25 -28 14 -17 9 -12" universe="1" />
-  <cell id="250" material="void" name="x = 9, y = 4, z = 2" region="28 -31 14 -17 9 -12" universe="1" />
-  <cell id="251" material="void" name="x = 0, y = 5, z = 2" region="1 -4 17 -20 9 -12" universe="1" />
-  <cell id="252" material="void" name="x = 1, y = 5, z = 2" region="4 -7 17 -20 9 -12" universe="1" />
-  <cell id="253" material="void" name="x = 2, y = 5, z = 2" region="7 -10 17 -20 9 -12" universe="1" />
-  <cell id="254" material="void" name="x = 3, y = 5, z = 2" region="10 -13 17 -20 9 -12" universe="1" />
-  <cell id="255" material="void" name="x = 4, y = 5, z = 2" region="13 -16 17 -20 9 -12" universe="1" />
-  <cell id="256" material="void" name="x = 5, y = 5, z = 2" region="16 -19 17 -20 9 -12" universe="1" />
-  <cell id="257" material="void" name="x = 6, y = 5, z = 2" region="19 -22 17 -20 9 -12" universe="1" />
-  <cell id="258" material="void" name="x = 7, y = 5, z = 2" region="22 -25 17 -20 9 -12" universe="1" />
-  <cell id="259" material="void" name="x = 8, y = 5, z = 2" region="25 -28 17 -20 9 -12" universe="1" />
-  <cell id="260" material="void" name="x = 9, y = 5, z = 2" region="28 -31 17 -20 9 -12" universe="1" />
-  <cell id="261" material="void" name="x = 0, y = 6, z = 2" region="1 -4 20 -23 9 -12" universe="1" />
-  <cell id="262" material="void" name="x = 1, y = 6, z = 2" region="4 -7 20 -23 9 -12" universe="1" />
-  <cell id="263" material="void" name="x = 2, y = 6, z = 2" region="7 -10 20 -23 9 -12" universe="1" />
-  <cell id="264" material="void" name="x = 3, y = 6, z = 2" region="10 -13 20 -23 9 -12" universe="1" />
-  <cell id="265" material="void" name="x = 4, y = 6, z = 2" region="13 -16 20 -23 9 -12" universe="1" />
-  <cell id="266" material="void" name="x = 5, y = 6, z = 2" region="16 -19 20 -23 9 -12" universe="1" />
-  <cell id="267" material="void" name="x = 6, y = 6, z = 2" region="19 -22 20 -23 9 -12" universe="1" />
-  <cell id="268" material="void" name="x = 7, y = 6, z = 2" region="22 -25 20 -23 9 -12" universe="1" />
-  <cell id="269" material="void" name="x = 8, y = 6, z = 2" region="25 -28 20 -23 9 -12" universe="1" />
-  <cell id="270" material="void" name="x = 9, y = 6, z = 2" region="28 -31 20 -23 9 -12" universe="1" />
-  <cell id="271" material="void" name="x = 0, y = 7, z = 2" region="1 -4 23 -26 9 -12" universe="1" />
-  <cell id="272" material="void" name="x = 1, y = 7, z = 2" region="4 -7 23 -26 9 -12" universe="1" />
-  <cell id="273" material="void" name="x = 2, y = 7, z = 2" region="7 -10 23 -26 9 -12" universe="1" />
-  <cell id="274" material="void" name="x = 3, y = 7, z = 2" region="10 -13 23 -26 9 -12" universe="1" />
-  <cell id="275" material="void" name="x = 4, y = 7, z = 2" region="13 -16 23 -26 9 -12" universe="1" />
-  <cell id="276" material="void" name="x = 5, y = 7, z = 2" region="16 -19 23 -26 9 -12" universe="1" />
-  <cell id="277" material="void" name="x = 6, y = 7, z = 2" region="19 -22 23 -26 9 -12" universe="1" />
-  <cell id="278" material="void" name="x = 7, y = 7, z = 2" region="22 -25 23 -26 9 -12" universe="1" />
-  <cell id="279" material="void" name="x = 8, y = 7, z = 2" region="25 -28 23 -26 9 -12" universe="1" />
-  <cell id="280" material="void" name="x = 9, y = 7, z = 2" region="28 -31 23 -26 9 -12" universe="1" />
-  <cell id="281" material="void" name="x = 0, y = 8, z = 2" region="1 -4 26 -29 9 -12" universe="1" />
-  <cell id="282" material="void" name="x = 1, y = 8, z = 2" region="4 -7 26 -29 9 -12" universe="1" />
-  <cell id="283" material="void" name="x = 2, y = 8, z = 2" region="7 -10 26 -29 9 -12" universe="1" />
-  <cell id="284" material="void" name="x = 3, y = 8, z = 2" region="10 -13 26 -29 9 -12" universe="1" />
-  <cell id="285" material="void" name="x = 4, y = 8, z = 2" region="13 -16 26 -29 9 -12" universe="1" />
-  <cell id="286" material="void" name="x = 5, y = 8, z = 2" region="16 -19 26 -29 9 -12" universe="1" />
-  <cell id="287" material="void" name="x = 6, y = 8, z = 2" region="19 -22 26 -29 9 -12" universe="1" />
-  <cell id="288" material="void" name="x = 7, y = 8, z = 2" region="22 -25 26 -29 9 -12" universe="1" />
-  <cell id="289" material="void" name="x = 8, y = 8, z = 2" region="25 -28 26 -29 9 -12" universe="1" />
-  <cell id="290" material="void" name="x = 9, y = 8, z = 2" region="28 -31 26 -29 9 -12" universe="1" />
-  <cell id="291" material="void" name="x = 0, y = 9, z = 2" region="1 -4 29 -32 9 -12" universe="1" />
-  <cell id="292" material="void" name="x = 1, y = 9, z = 2" region="4 -7 29 -32 9 -12" universe="1" />
-  <cell id="293" material="void" name="x = 2, y = 9, z = 2" region="7 -10 29 -32 9 -12" universe="1" />
-  <cell id="294" material="void" name="x = 3, y = 9, z = 2" region="10 -13 29 -32 9 -12" universe="1" />
-  <cell id="295" material="void" name="x = 4, y = 9, z = 2" region="13 -16 29 -32 9 -12" universe="1" />
-  <cell id="296" material="void" name="x = 5, y = 9, z = 2" region="16 -19 29 -32 9 -12" universe="1" />
-  <cell id="297" material="void" name="x = 6, y = 9, z = 2" region="19 -22 29 -32 9 -12" universe="1" />
-  <cell id="298" material="void" name="x = 7, y = 9, z = 2" region="22 -25 29 -32 9 -12" universe="1" />
-  <cell id="299" material="void" name="x = 8, y = 9, z = 2" region="25 -28 29 -32 9 -12" universe="1" />
-  <cell id="300" material="void" name="x = 9, y = 9, z = 2" region="28 -31 29 -32 9 -12" universe="1" />
-  <cell id="301" material="void" name="x = 0, y = 0, z = 3" region="1 -4 2 -5 12 -15" universe="1" />
-  <cell id="302" material="void" name="x = 1, y = 0, z = 3" region="4 -7 2 -5 12 -15" universe="1" />
-  <cell id="303" material="void" name="x = 2, y = 0, z = 3" region="7 -10 2 -5 12 -15" universe="1" />
-  <cell id="304" material="void" name="x = 3, y = 0, z = 3" region="10 -13 2 -5 12 -15" universe="1" />
-  <cell id="305" material="void" name="x = 4, y = 0, z = 3" region="13 -16 2 -5 12 -15" universe="1" />
-  <cell id="306" material="void" name="x = 5, y = 0, z = 3" region="16 -19 2 -5 12 -15" universe="1" />
-  <cell id="307" material="void" name="x = 6, y = 0, z = 3" region="19 -22 2 -5 12 -15" universe="1" />
-  <cell id="308" material="void" name="x = 7, y = 0, z = 3" region="22 -25 2 -5 12 -15" universe="1" />
-  <cell id="309" material="void" name="x = 8, y = 0, z = 3" region="25 -28 2 -5 12 -15" universe="1" />
-  <cell id="310" material="void" name="x = 9, y = 0, z = 3" region="28 -31 2 -5 12 -15" universe="1" />
-  <cell id="311" material="void" name="x = 0, y = 1, z = 3" region="1 -4 5 -8 12 -15" universe="1" />
-  <cell id="312" material="void" name="x = 1, y = 1, z = 3" region="4 -7 5 -8 12 -15" universe="1" />
-  <cell id="313" material="void" name="x = 2, y = 1, z = 3" region="7 -10 5 -8 12 -15" universe="1" />
-  <cell id="314" material="void" name="x = 3, y = 1, z = 3" region="10 -13 5 -8 12 -15" universe="1" />
-  <cell id="315" material="void" name="x = 4, y = 1, z = 3" region="13 -16 5 -8 12 -15" universe="1" />
-  <cell id="316" material="void" name="x = 5, y = 1, z = 3" region="16 -19 5 -8 12 -15" universe="1" />
-  <cell id="317" material="void" name="x = 6, y = 1, z = 3" region="19 -22 5 -8 12 -15" universe="1" />
-  <cell id="318" material="void" name="x = 7, y = 1, z = 3" region="22 -25 5 -8 12 -15" universe="1" />
-  <cell id="319" material="void" name="x = 8, y = 1, z = 3" region="25 -28 5 -8 12 -15" universe="1" />
-  <cell id="320" material="void" name="x = 9, y = 1, z = 3" region="28 -31 5 -8 12 -15" universe="1" />
-  <cell id="321" material="void" name="x = 0, y = 2, z = 3" region="1 -4 8 -11 12 -15" universe="1" />
-  <cell id="322" material="void" name="x = 1, y = 2, z = 3" region="4 -7 8 -11 12 -15" universe="1" />
-  <cell id="323" material="void" name="x = 2, y = 2, z = 3" region="7 -10 8 -11 12 -15" universe="1" />
-  <cell id="324" material="void" name="x = 3, y = 2, z = 3" region="10 -13 8 -11 12 -15" universe="1" />
-  <cell id="325" material="void" name="x = 4, y = 2, z = 3" region="13 -16 8 -11 12 -15" universe="1" />
-  <cell id="326" material="void" name="x = 5, y = 2, z = 3" region="16 -19 8 -11 12 -15" universe="1" />
-  <cell id="327" material="void" name="x = 6, y = 2, z = 3" region="19 -22 8 -11 12 -15" universe="1" />
-  <cell id="328" material="void" name="x = 7, y = 2, z = 3" region="22 -25 8 -11 12 -15" universe="1" />
-  <cell id="329" material="void" name="x = 8, y = 2, z = 3" region="25 -28 8 -11 12 -15" universe="1" />
-  <cell id="330" material="void" name="x = 9, y = 2, z = 3" region="28 -31 8 -11 12 -15" universe="1" />
-  <cell id="331" material="void" name="x = 0, y = 3, z = 3" region="1 -4 11 -14 12 -15" universe="1" />
-  <cell id="332" material="void" name="x = 1, y = 3, z = 3" region="4 -7 11 -14 12 -15" universe="1" />
-  <cell id="333" material="void" name="x = 2, y = 3, z = 3" region="7 -10 11 -14 12 -15" universe="1" />
-  <cell id="334" material="void" name="x = 3, y = 3, z = 3" region="10 -13 11 -14 12 -15" universe="1" />
-  <cell id="335" material="void" name="x = 4, y = 3, z = 3" region="13 -16 11 -14 12 -15" universe="1" />
-  <cell id="336" material="void" name="x = 5, y = 3, z = 3" region="16 -19 11 -14 12 -15" universe="1" />
-  <cell id="337" material="void" name="x = 6, y = 3, z = 3" region="19 -22 11 -14 12 -15" universe="1" />
-  <cell id="338" material="void" name="x = 7, y = 3, z = 3" region="22 -25 11 -14 12 -15" universe="1" />
-  <cell id="339" material="void" name="x = 8, y = 3, z = 3" region="25 -28 11 -14 12 -15" universe="1" />
-  <cell id="340" material="void" name="x = 9, y = 3, z = 3" region="28 -31 11 -14 12 -15" universe="1" />
-  <cell id="341" material="void" name="x = 0, y = 4, z = 3" region="1 -4 14 -17 12 -15" universe="1" />
-  <cell id="342" material="void" name="x = 1, y = 4, z = 3" region="4 -7 14 -17 12 -15" universe="1" />
-  <cell id="343" material="void" name="x = 2, y = 4, z = 3" region="7 -10 14 -17 12 -15" universe="1" />
-  <cell id="344" material="void" name="x = 3, y = 4, z = 3" region="10 -13 14 -17 12 -15" universe="1" />
-  <cell id="345" material="void" name="x = 4, y = 4, z = 3" region="13 -16 14 -17 12 -15" universe="1" />
-  <cell id="346" material="void" name="x = 5, y = 4, z = 3" region="16 -19 14 -17 12 -15" universe="1" />
-  <cell id="347" material="void" name="x = 6, y = 4, z = 3" region="19 -22 14 -17 12 -15" universe="1" />
-  <cell id="348" material="void" name="x = 7, y = 4, z = 3" region="22 -25 14 -17 12 -15" universe="1" />
-  <cell id="349" material="void" name="x = 8, y = 4, z = 3" region="25 -28 14 -17 12 -15" universe="1" />
-  <cell id="350" material="void" name="x = 9, y = 4, z = 3" region="28 -31 14 -17 12 -15" universe="1" />
-  <cell id="351" material="void" name="x = 0, y = 5, z = 3" region="1 -4 17 -20 12 -15" universe="1" />
-  <cell id="352" material="void" name="x = 1, y = 5, z = 3" region="4 -7 17 -20 12 -15" universe="1" />
-  <cell id="353" material="void" name="x = 2, y = 5, z = 3" region="7 -10 17 -20 12 -15" universe="1" />
-  <cell id="354" material="void" name="x = 3, y = 5, z = 3" region="10 -13 17 -20 12 -15" universe="1" />
-  <cell id="355" material="void" name="x = 4, y = 5, z = 3" region="13 -16 17 -20 12 -15" universe="1" />
-  <cell id="356" material="void" name="x = 5, y = 5, z = 3" region="16 -19 17 -20 12 -15" universe="1" />
-  <cell id="357" material="void" name="x = 6, y = 5, z = 3" region="19 -22 17 -20 12 -15" universe="1" />
-  <cell id="358" material="void" name="x = 7, y = 5, z = 3" region="22 -25 17 -20 12 -15" universe="1" />
-  <cell id="359" material="void" name="x = 8, y = 5, z = 3" region="25 -28 17 -20 12 -15" universe="1" />
-  <cell id="360" material="void" name="x = 9, y = 5, z = 3" region="28 -31 17 -20 12 -15" universe="1" />
-  <cell id="361" material="void" name="x = 0, y = 6, z = 3" region="1 -4 20 -23 12 -15" universe="1" />
-  <cell id="362" material="void" name="x = 1, y = 6, z = 3" region="4 -7 20 -23 12 -15" universe="1" />
-  <cell id="363" material="void" name="x = 2, y = 6, z = 3" region="7 -10 20 -23 12 -15" universe="1" />
-  <cell id="364" material="void" name="x = 3, y = 6, z = 3" region="10 -13 20 -23 12 -15" universe="1" />
-  <cell id="365" material="void" name="x = 4, y = 6, z = 3" region="13 -16 20 -23 12 -15" universe="1" />
-  <cell id="366" material="void" name="x = 5, y = 6, z = 3" region="16 -19 20 -23 12 -15" universe="1" />
-  <cell id="367" material="void" name="x = 6, y = 6, z = 3" region="19 -22 20 -23 12 -15" universe="1" />
-  <cell id="368" material="void" name="x = 7, y = 6, z = 3" region="22 -25 20 -23 12 -15" universe="1" />
-  <cell id="369" material="void" name="x = 8, y = 6, z = 3" region="25 -28 20 -23 12 -15" universe="1" />
-  <cell id="370" material="void" name="x = 9, y = 6, z = 3" region="28 -31 20 -23 12 -15" universe="1" />
-  <cell id="371" material="void" name="x = 0, y = 7, z = 3" region="1 -4 23 -26 12 -15" universe="1" />
-  <cell id="372" material="void" name="x = 1, y = 7, z = 3" region="4 -7 23 -26 12 -15" universe="1" />
-  <cell id="373" material="void" name="x = 2, y = 7, z = 3" region="7 -10 23 -26 12 -15" universe="1" />
-  <cell id="374" material="void" name="x = 3, y = 7, z = 3" region="10 -13 23 -26 12 -15" universe="1" />
-  <cell id="375" material="void" name="x = 4, y = 7, z = 3" region="13 -16 23 -26 12 -15" universe="1" />
-  <cell id="376" material="void" name="x = 5, y = 7, z = 3" region="16 -19 23 -26 12 -15" universe="1" />
-  <cell id="377" material="void" name="x = 6, y = 7, z = 3" region="19 -22 23 -26 12 -15" universe="1" />
-  <cell id="378" material="void" name="x = 7, y = 7, z = 3" region="22 -25 23 -26 12 -15" universe="1" />
-  <cell id="379" material="void" name="x = 8, y = 7, z = 3" region="25 -28 23 -26 12 -15" universe="1" />
-  <cell id="380" material="void" name="x = 9, y = 7, z = 3" region="28 -31 23 -26 12 -15" universe="1" />
-  <cell id="381" material="void" name="x = 0, y = 8, z = 3" region="1 -4 26 -29 12 -15" universe="1" />
-  <cell id="382" material="void" name="x = 1, y = 8, z = 3" region="4 -7 26 -29 12 -15" universe="1" />
-  <cell id="383" material="void" name="x = 2, y = 8, z = 3" region="7 -10 26 -29 12 -15" universe="1" />
-  <cell id="384" material="void" name="x = 3, y = 8, z = 3" region="10 -13 26 -29 12 -15" universe="1" />
-  <cell id="385" material="void" name="x = 4, y = 8, z = 3" region="13 -16 26 -29 12 -15" universe="1" />
-  <cell id="386" material="void" name="x = 5, y = 8, z = 3" region="16 -19 26 -29 12 -15" universe="1" />
-  <cell id="387" material="void" name="x = 6, y = 8, z = 3" region="19 -22 26 -29 12 -15" universe="1" />
-  <cell id="388" material="void" name="x = 7, y = 8, z = 3" region="22 -25 26 -29 12 -15" universe="1" />
-  <cell id="389" material="void" name="x = 8, y = 8, z = 3" region="25 -28 26 -29 12 -15" universe="1" />
-  <cell id="390" material="void" name="x = 9, y = 8, z = 3" region="28 -31 26 -29 12 -15" universe="1" />
-  <cell id="391" material="void" name="x = 0, y = 9, z = 3" region="1 -4 29 -32 12 -15" universe="1" />
-  <cell id="392" material="void" name="x = 1, y = 9, z = 3" region="4 -7 29 -32 12 -15" universe="1" />
-  <cell id="393" material="void" name="x = 2, y = 9, z = 3" region="7 -10 29 -32 12 -15" universe="1" />
-  <cell id="394" material="void" name="x = 3, y = 9, z = 3" region="10 -13 29 -32 12 -15" universe="1" />
-  <cell id="395" material="void" name="x = 4, y = 9, z = 3" region="13 -16 29 -32 12 -15" universe="1" />
-  <cell id="396" material="void" name="x = 5, y = 9, z = 3" region="16 -19 29 -32 12 -15" universe="1" />
-  <cell id="397" material="void" name="x = 6, y = 9, z = 3" region="19 -22 29 -32 12 -15" universe="1" />
-  <cell id="398" material="void" name="x = 7, y = 9, z = 3" region="22 -25 29 -32 12 -15" universe="1" />
-  <cell id="399" material="void" name="x = 8, y = 9, z = 3" region="25 -28 29 -32 12 -15" universe="1" />
-  <cell id="400" material="void" name="x = 9, y = 9, z = 3" region="28 -31 29 -32 12 -15" universe="1" />
-  <cell id="401" material="void" name="x = 0, y = 0, z = 4" region="1 -4 2 -5 15 -18" universe="1" />
-  <cell id="402" material="void" name="x = 1, y = 0, z = 4" region="4 -7 2 -5 15 -18" universe="1" />
-  <cell id="403" material="void" name="x = 2, y = 0, z = 4" region="7 -10 2 -5 15 -18" universe="1" />
-  <cell id="404" material="void" name="x = 3, y = 0, z = 4" region="10 -13 2 -5 15 -18" universe="1" />
-  <cell id="405" material="void" name="x = 4, y = 0, z = 4" region="13 -16 2 -5 15 -18" universe="1" />
-  <cell id="406" material="void" name="x = 5, y = 0, z = 4" region="16 -19 2 -5 15 -18" universe="1" />
-  <cell id="407" material="void" name="x = 6, y = 0, z = 4" region="19 -22 2 -5 15 -18" universe="1" />
-  <cell id="408" material="void" name="x = 7, y = 0, z = 4" region="22 -25 2 -5 15 -18" universe="1" />
-  <cell id="409" material="void" name="x = 8, y = 0, z = 4" region="25 -28 2 -5 15 -18" universe="1" />
-  <cell id="410" material="void" name="x = 9, y = 0, z = 4" region="28 -31 2 -5 15 -18" universe="1" />
-  <cell id="411" material="void" name="x = 0, y = 1, z = 4" region="1 -4 5 -8 15 -18" universe="1" />
-  <cell id="412" material="void" name="x = 1, y = 1, z = 4" region="4 -7 5 -8 15 -18" universe="1" />
-  <cell id="413" material="void" name="x = 2, y = 1, z = 4" region="7 -10 5 -8 15 -18" universe="1" />
-  <cell id="414" material="void" name="x = 3, y = 1, z = 4" region="10 -13 5 -8 15 -18" universe="1" />
-  <cell id="415" material="void" name="x = 4, y = 1, z = 4" region="13 -16 5 -8 15 -18" universe="1" />
-  <cell id="416" material="void" name="x = 5, y = 1, z = 4" region="16 -19 5 -8 15 -18" universe="1" />
-  <cell id="417" material="void" name="x = 6, y = 1, z = 4" region="19 -22 5 -8 15 -18" universe="1" />
-  <cell id="418" material="void" name="x = 7, y = 1, z = 4" region="22 -25 5 -8 15 -18" universe="1" />
-  <cell id="419" material="void" name="x = 8, y = 1, z = 4" region="25 -28 5 -8 15 -18" universe="1" />
-  <cell id="420" material="void" name="x = 9, y = 1, z = 4" region="28 -31 5 -8 15 -18" universe="1" />
-  <cell id="421" material="void" name="x = 0, y = 2, z = 4" region="1 -4 8 -11 15 -18" universe="1" />
-  <cell id="422" material="void" name="x = 1, y = 2, z = 4" region="4 -7 8 -11 15 -18" universe="1" />
-  <cell id="423" material="void" name="x = 2, y = 2, z = 4" region="7 -10 8 -11 15 -18" universe="1" />
-  <cell id="424" material="void" name="x = 3, y = 2, z = 4" region="10 -13 8 -11 15 -18" universe="1" />
-  <cell id="425" material="void" name="x = 4, y = 2, z = 4" region="13 -16 8 -11 15 -18" universe="1" />
-  <cell id="426" material="void" name="x = 5, y = 2, z = 4" region="16 -19 8 -11 15 -18" universe="1" />
-  <cell id="427" material="void" name="x = 6, y = 2, z = 4" region="19 -22 8 -11 15 -18" universe="1" />
-  <cell id="428" material="void" name="x = 7, y = 2, z = 4" region="22 -25 8 -11 15 -18" universe="1" />
-  <cell id="429" material="void" name="x = 8, y = 2, z = 4" region="25 -28 8 -11 15 -18" universe="1" />
-  <cell id="430" material="void" name="x = 9, y = 2, z = 4" region="28 -31 8 -11 15 -18" universe="1" />
-  <cell id="431" material="void" name="x = 0, y = 3, z = 4" region="1 -4 11 -14 15 -18" universe="1" />
-  <cell id="432" material="void" name="x = 1, y = 3, z = 4" region="4 -7 11 -14 15 -18" universe="1" />
-  <cell id="433" material="void" name="x = 2, y = 3, z = 4" region="7 -10 11 -14 15 -18" universe="1" />
-  <cell id="434" material="void" name="x = 3, y = 3, z = 4" region="10 -13 11 -14 15 -18" universe="1" />
-  <cell id="435" material="void" name="x = 4, y = 3, z = 4" region="13 -16 11 -14 15 -18" universe="1" />
-  <cell id="436" material="void" name="x = 5, y = 3, z = 4" region="16 -19 11 -14 15 -18" universe="1" />
-  <cell id="437" material="void" name="x = 6, y = 3, z = 4" region="19 -22 11 -14 15 -18" universe="1" />
-  <cell id="438" material="void" name="x = 7, y = 3, z = 4" region="22 -25 11 -14 15 -18" universe="1" />
-  <cell id="439" material="void" name="x = 8, y = 3, z = 4" region="25 -28 11 -14 15 -18" universe="1" />
-  <cell id="440" material="void" name="x = 9, y = 3, z = 4" region="28 -31 11 -14 15 -18" universe="1" />
-  <cell id="441" material="void" name="x = 0, y = 4, z = 4" region="1 -4 14 -17 15 -18" universe="1" />
-  <cell id="442" material="void" name="x = 1, y = 4, z = 4" region="4 -7 14 -17 15 -18" universe="1" />
-  <cell id="443" material="void" name="x = 2, y = 4, z = 4" region="7 -10 14 -17 15 -18" universe="1" />
-  <cell id="444" material="void" name="x = 3, y = 4, z = 4" region="10 -13 14 -17 15 -18" universe="1" />
-  <cell id="445" material="void" name="x = 4, y = 4, z = 4" region="13 -16 14 -17 15 -18" universe="1" />
-  <cell id="446" material="void" name="x = 5, y = 4, z = 4" region="16 -19 14 -17 15 -18" universe="1" />
-  <cell id="447" material="void" name="x = 6, y = 4, z = 4" region="19 -22 14 -17 15 -18" universe="1" />
-  <cell id="448" material="void" name="x = 7, y = 4, z = 4" region="22 -25 14 -17 15 -18" universe="1" />
-  <cell id="449" material="void" name="x = 8, y = 4, z = 4" region="25 -28 14 -17 15 -18" universe="1" />
-  <cell id="450" material="void" name="x = 9, y = 4, z = 4" region="28 -31 14 -17 15 -18" universe="1" />
-  <cell id="451" material="void" name="x = 0, y = 5, z = 4" region="1 -4 17 -20 15 -18" universe="1" />
-  <cell id="452" material="void" name="x = 1, y = 5, z = 4" region="4 -7 17 -20 15 -18" universe="1" />
-  <cell id="453" material="void" name="x = 2, y = 5, z = 4" region="7 -10 17 -20 15 -18" universe="1" />
-  <cell id="454" material="void" name="x = 3, y = 5, z = 4" region="10 -13 17 -20 15 -18" universe="1" />
-  <cell id="455" material="void" name="x = 4, y = 5, z = 4" region="13 -16 17 -20 15 -18" universe="1" />
-  <cell id="456" material="void" name="x = 5, y = 5, z = 4" region="16 -19 17 -20 15 -18" universe="1" />
-  <cell id="457" material="void" name="x = 6, y = 5, z = 4" region="19 -22 17 -20 15 -18" universe="1" />
-  <cell id="458" material="void" name="x = 7, y = 5, z = 4" region="22 -25 17 -20 15 -18" universe="1" />
-  <cell id="459" material="void" name="x = 8, y = 5, z = 4" region="25 -28 17 -20 15 -18" universe="1" />
-  <cell id="460" material="void" name="x = 9, y = 5, z = 4" region="28 -31 17 -20 15 -18" universe="1" />
-  <cell id="461" material="void" name="x = 0, y = 6, z = 4" region="1 -4 20 -23 15 -18" universe="1" />
-  <cell id="462" material="void" name="x = 1, y = 6, z = 4" region="4 -7 20 -23 15 -18" universe="1" />
-  <cell id="463" material="void" name="x = 2, y = 6, z = 4" region="7 -10 20 -23 15 -18" universe="1" />
-  <cell id="464" material="void" name="x = 3, y = 6, z = 4" region="10 -13 20 -23 15 -18" universe="1" />
-  <cell id="465" material="void" name="x = 4, y = 6, z = 4" region="13 -16 20 -23 15 -18" universe="1" />
-  <cell id="466" material="void" name="x = 5, y = 6, z = 4" region="16 -19 20 -23 15 -18" universe="1" />
-  <cell id="467" material="void" name="x = 6, y = 6, z = 4" region="19 -22 20 -23 15 -18" universe="1" />
-  <cell id="468" material="void" name="x = 7, y = 6, z = 4" region="22 -25 20 -23 15 -18" universe="1" />
-  <cell id="469" material="void" name="x = 8, y = 6, z = 4" region="25 -28 20 -23 15 -18" universe="1" />
-  <cell id="470" material="void" name="x = 9, y = 6, z = 4" region="28 -31 20 -23 15 -18" universe="1" />
-  <cell id="471" material="void" name="x = 0, y = 7, z = 4" region="1 -4 23 -26 15 -18" universe="1" />
-  <cell id="472" material="void" name="x = 1, y = 7, z = 4" region="4 -7 23 -26 15 -18" universe="1" />
-  <cell id="473" material="void" name="x = 2, y = 7, z = 4" region="7 -10 23 -26 15 -18" universe="1" />
-  <cell id="474" material="void" name="x = 3, y = 7, z = 4" region="10 -13 23 -26 15 -18" universe="1" />
-  <cell id="475" material="void" name="x = 4, y = 7, z = 4" region="13 -16 23 -26 15 -18" universe="1" />
-  <cell id="476" material="void" name="x = 5, y = 7, z = 4" region="16 -19 23 -26 15 -18" universe="1" />
-  <cell id="477" material="void" name="x = 6, y = 7, z = 4" region="19 -22 23 -26 15 -18" universe="1" />
-  <cell id="478" material="void" name="x = 7, y = 7, z = 4" region="22 -25 23 -26 15 -18" universe="1" />
-  <cell id="479" material="void" name="x = 8, y = 7, z = 4" region="25 -28 23 -26 15 -18" universe="1" />
-  <cell id="480" material="void" name="x = 9, y = 7, z = 4" region="28 -31 23 -26 15 -18" universe="1" />
-  <cell id="481" material="void" name="x = 0, y = 8, z = 4" region="1 -4 26 -29 15 -18" universe="1" />
-  <cell id="482" material="void" name="x = 1, y = 8, z = 4" region="4 -7 26 -29 15 -18" universe="1" />
-  <cell id="483" material="void" name="x = 2, y = 8, z = 4" region="7 -10 26 -29 15 -18" universe="1" />
-  <cell id="484" material="void" name="x = 3, y = 8, z = 4" region="10 -13 26 -29 15 -18" universe="1" />
-  <cell id="485" material="void" name="x = 4, y = 8, z = 4" region="13 -16 26 -29 15 -18" universe="1" />
-  <cell id="486" material="void" name="x = 5, y = 8, z = 4" region="16 -19 26 -29 15 -18" universe="1" />
-  <cell id="487" material="void" name="x = 6, y = 8, z = 4" region="19 -22 26 -29 15 -18" universe="1" />
-  <cell id="488" material="void" name="x = 7, y = 8, z = 4" region="22 -25 26 -29 15 -18" universe="1" />
-  <cell id="489" material="void" name="x = 8, y = 8, z = 4" region="25 -28 26 -29 15 -18" universe="1" />
-  <cell id="490" material="void" name="x = 9, y = 8, z = 4" region="28 -31 26 -29 15 -18" universe="1" />
-  <cell id="491" material="void" name="x = 0, y = 9, z = 4" region="1 -4 29 -32 15 -18" universe="1" />
-  <cell id="492" material="void" name="x = 1, y = 9, z = 4" region="4 -7 29 -32 15 -18" universe="1" />
-  <cell id="493" material="void" name="x = 2, y = 9, z = 4" region="7 -10 29 -32 15 -18" universe="1" />
-  <cell id="494" material="void" name="x = 3, y = 9, z = 4" region="10 -13 29 -32 15 -18" universe="1" />
-  <cell id="495" material="void" name="x = 4, y = 9, z = 4" region="13 -16 29 -32 15 -18" universe="1" />
-  <cell id="496" material="void" name="x = 5, y = 9, z = 4" region="16 -19 29 -32 15 -18" universe="1" />
-  <cell id="497" material="void" name="x = 6, y = 9, z = 4" region="19 -22 29 -32 15 -18" universe="1" />
-  <cell id="498" material="void" name="x = 7, y = 9, z = 4" region="22 -25 29 -32 15 -18" universe="1" />
-  <cell id="499" material="void" name="x = 8, y = 9, z = 4" region="25 -28 29 -32 15 -18" universe="1" />
-  <cell id="500" material="void" name="x = 9, y = 9, z = 4" region="28 -31 29 -32 15 -18" universe="1" />
-  <cell id="501" material="void" name="x = 0, y = 0, z = 5" region="1 -4 2 -5 18 -21" universe="1" />
-  <cell id="502" material="void" name="x = 1, y = 0, z = 5" region="4 -7 2 -5 18 -21" universe="1" />
-  <cell id="503" material="void" name="x = 2, y = 0, z = 5" region="7 -10 2 -5 18 -21" universe="1" />
-  <cell id="504" material="void" name="x = 3, y = 0, z = 5" region="10 -13 2 -5 18 -21" universe="1" />
-  <cell id="505" material="void" name="x = 4, y = 0, z = 5" region="13 -16 2 -5 18 -21" universe="1" />
-  <cell id="506" material="void" name="x = 5, y = 0, z = 5" region="16 -19 2 -5 18 -21" universe="1" />
-  <cell id="507" material="void" name="x = 6, y = 0, z = 5" region="19 -22 2 -5 18 -21" universe="1" />
-  <cell id="508" material="void" name="x = 7, y = 0, z = 5" region="22 -25 2 -5 18 -21" universe="1" />
-  <cell id="509" material="void" name="x = 8, y = 0, z = 5" region="25 -28 2 -5 18 -21" universe="1" />
-  <cell id="510" material="void" name="x = 9, y = 0, z = 5" region="28 -31 2 -5 18 -21" universe="1" />
-  <cell id="511" material="void" name="x = 0, y = 1, z = 5" region="1 -4 5 -8 18 -21" universe="1" />
-  <cell id="512" material="void" name="x = 1, y = 1, z = 5" region="4 -7 5 -8 18 -21" universe="1" />
-  <cell id="513" material="void" name="x = 2, y = 1, z = 5" region="7 -10 5 -8 18 -21" universe="1" />
-  <cell id="514" material="void" name="x = 3, y = 1, z = 5" region="10 -13 5 -8 18 -21" universe="1" />
-  <cell id="515" material="void" name="x = 4, y = 1, z = 5" region="13 -16 5 -8 18 -21" universe="1" />
-  <cell id="516" material="void" name="x = 5, y = 1, z = 5" region="16 -19 5 -8 18 -21" universe="1" />
-  <cell id="517" material="void" name="x = 6, y = 1, z = 5" region="19 -22 5 -8 18 -21" universe="1" />
-  <cell id="518" material="void" name="x = 7, y = 1, z = 5" region="22 -25 5 -8 18 -21" universe="1" />
-  <cell id="519" material="void" name="x = 8, y = 1, z = 5" region="25 -28 5 -8 18 -21" universe="1" />
-  <cell id="520" material="void" name="x = 9, y = 1, z = 5" region="28 -31 5 -8 18 -21" universe="1" />
-  <cell id="521" material="void" name="x = 0, y = 2, z = 5" region="1 -4 8 -11 18 -21" universe="1" />
-  <cell id="522" material="void" name="x = 1, y = 2, z = 5" region="4 -7 8 -11 18 -21" universe="1" />
-  <cell id="523" material="void" name="x = 2, y = 2, z = 5" region="7 -10 8 -11 18 -21" universe="1" />
-  <cell id="524" material="void" name="x = 3, y = 2, z = 5" region="10 -13 8 -11 18 -21" universe="1" />
-  <cell id="525" material="void" name="x = 4, y = 2, z = 5" region="13 -16 8 -11 18 -21" universe="1" />
-  <cell id="526" material="void" name="x = 5, y = 2, z = 5" region="16 -19 8 -11 18 -21" universe="1" />
-  <cell id="527" material="void" name="x = 6, y = 2, z = 5" region="19 -22 8 -11 18 -21" universe="1" />
-  <cell id="528" material="void" name="x = 7, y = 2, z = 5" region="22 -25 8 -11 18 -21" universe="1" />
-  <cell id="529" material="void" name="x = 8, y = 2, z = 5" region="25 -28 8 -11 18 -21" universe="1" />
-  <cell id="530" material="void" name="x = 9, y = 2, z = 5" region="28 -31 8 -11 18 -21" universe="1" />
-  <cell id="531" material="void" name="x = 0, y = 3, z = 5" region="1 -4 11 -14 18 -21" universe="1" />
-  <cell id="532" material="void" name="x = 1, y = 3, z = 5" region="4 -7 11 -14 18 -21" universe="1" />
-  <cell id="533" material="void" name="x = 2, y = 3, z = 5" region="7 -10 11 -14 18 -21" universe="1" />
-  <cell id="534" material="void" name="x = 3, y = 3, z = 5" region="10 -13 11 -14 18 -21" universe="1" />
-  <cell id="535" material="void" name="x = 4, y = 3, z = 5" region="13 -16 11 -14 18 -21" universe="1" />
-  <cell id="536" material="void" name="x = 5, y = 3, z = 5" region="16 -19 11 -14 18 -21" universe="1" />
-  <cell id="537" material="void" name="x = 6, y = 3, z = 5" region="19 -22 11 -14 18 -21" universe="1" />
-  <cell id="538" material="void" name="x = 7, y = 3, z = 5" region="22 -25 11 -14 18 -21" universe="1" />
-  <cell id="539" material="void" name="x = 8, y = 3, z = 5" region="25 -28 11 -14 18 -21" universe="1" />
-  <cell id="540" material="void" name="x = 9, y = 3, z = 5" region="28 -31 11 -14 18 -21" universe="1" />
-  <cell id="541" material="void" name="x = 0, y = 4, z = 5" region="1 -4 14 -17 18 -21" universe="1" />
-  <cell id="542" material="void" name="x = 1, y = 4, z = 5" region="4 -7 14 -17 18 -21" universe="1" />
-  <cell id="543" material="void" name="x = 2, y = 4, z = 5" region="7 -10 14 -17 18 -21" universe="1" />
-  <cell id="544" material="void" name="x = 3, y = 4, z = 5" region="10 -13 14 -17 18 -21" universe="1" />
-  <cell id="545" material="void" name="x = 4, y = 4, z = 5" region="13 -16 14 -17 18 -21" universe="1" />
-  <cell id="546" material="void" name="x = 5, y = 4, z = 5" region="16 -19 14 -17 18 -21" universe="1" />
-  <cell id="547" material="void" name="x = 6, y = 4, z = 5" region="19 -22 14 -17 18 -21" universe="1" />
-  <cell id="548" material="void" name="x = 7, y = 4, z = 5" region="22 -25 14 -17 18 -21" universe="1" />
-  <cell id="549" material="void" name="x = 8, y = 4, z = 5" region="25 -28 14 -17 18 -21" universe="1" />
-  <cell id="550" material="void" name="x = 9, y = 4, z = 5" region="28 -31 14 -17 18 -21" universe="1" />
-  <cell id="551" material="void" name="x = 0, y = 5, z = 5" region="1 -4 17 -20 18 -21" universe="1" />
-  <cell id="552" material="void" name="x = 1, y = 5, z = 5" region="4 -7 17 -20 18 -21" universe="1" />
-  <cell id="553" material="void" name="x = 2, y = 5, z = 5" region="7 -10 17 -20 18 -21" universe="1" />
-  <cell id="554" material="void" name="x = 3, y = 5, z = 5" region="10 -13 17 -20 18 -21" universe="1" />
-  <cell id="555" material="void" name="x = 4, y = 5, z = 5" region="13 -16 17 -20 18 -21" universe="1" />
-  <cell id="556" material="void" name="x = 5, y = 5, z = 5" region="16 -19 17 -20 18 -21" universe="1" />
-  <cell id="557" material="void" name="x = 6, y = 5, z = 5" region="19 -22 17 -20 18 -21" universe="1" />
-  <cell id="558" material="void" name="x = 7, y = 5, z = 5" region="22 -25 17 -20 18 -21" universe="1" />
-  <cell id="559" material="void" name="x = 8, y = 5, z = 5" region="25 -28 17 -20 18 -21" universe="1" />
-  <cell id="560" material="void" name="x = 9, y = 5, z = 5" region="28 -31 17 -20 18 -21" universe="1" />
-  <cell id="561" material="void" name="x = 0, y = 6, z = 5" region="1 -4 20 -23 18 -21" universe="1" />
-  <cell id="562" material="void" name="x = 1, y = 6, z = 5" region="4 -7 20 -23 18 -21" universe="1" />
-  <cell id="563" material="void" name="x = 2, y = 6, z = 5" region="7 -10 20 -23 18 -21" universe="1" />
-  <cell id="564" material="void" name="x = 3, y = 6, z = 5" region="10 -13 20 -23 18 -21" universe="1" />
-  <cell id="565" material="void" name="x = 4, y = 6, z = 5" region="13 -16 20 -23 18 -21" universe="1" />
-  <cell id="566" material="void" name="x = 5, y = 6, z = 5" region="16 -19 20 -23 18 -21" universe="1" />
-  <cell id="567" material="void" name="x = 6, y = 6, z = 5" region="19 -22 20 -23 18 -21" universe="1" />
-  <cell id="568" material="void" name="x = 7, y = 6, z = 5" region="22 -25 20 -23 18 -21" universe="1" />
-  <cell id="569" material="void" name="x = 8, y = 6, z = 5" region="25 -28 20 -23 18 -21" universe="1" />
-  <cell id="570" material="void" name="x = 9, y = 6, z = 5" region="28 -31 20 -23 18 -21" universe="1" />
-  <cell id="571" material="void" name="x = 0, y = 7, z = 5" region="1 -4 23 -26 18 -21" universe="1" />
-  <cell id="572" material="void" name="x = 1, y = 7, z = 5" region="4 -7 23 -26 18 -21" universe="1" />
-  <cell id="573" material="void" name="x = 2, y = 7, z = 5" region="7 -10 23 -26 18 -21" universe="1" />
-  <cell id="574" material="void" name="x = 3, y = 7, z = 5" region="10 -13 23 -26 18 -21" universe="1" />
-  <cell id="575" material="void" name="x = 4, y = 7, z = 5" region="13 -16 23 -26 18 -21" universe="1" />
-  <cell id="576" material="void" name="x = 5, y = 7, z = 5" region="16 -19 23 -26 18 -21" universe="1" />
-  <cell id="577" material="void" name="x = 6, y = 7, z = 5" region="19 -22 23 -26 18 -21" universe="1" />
-  <cell id="578" material="void" name="x = 7, y = 7, z = 5" region="22 -25 23 -26 18 -21" universe="1" />
-  <cell id="579" material="void" name="x = 8, y = 7, z = 5" region="25 -28 23 -26 18 -21" universe="1" />
-  <cell id="580" material="void" name="x = 9, y = 7, z = 5" region="28 -31 23 -26 18 -21" universe="1" />
-  <cell id="581" material="void" name="x = 0, y = 8, z = 5" region="1 -4 26 -29 18 -21" universe="1" />
-  <cell id="582" material="void" name="x = 1, y = 8, z = 5" region="4 -7 26 -29 18 -21" universe="1" />
-  <cell id="583" material="void" name="x = 2, y = 8, z = 5" region="7 -10 26 -29 18 -21" universe="1" />
-  <cell id="584" material="void" name="x = 3, y = 8, z = 5" region="10 -13 26 -29 18 -21" universe="1" />
-  <cell id="585" material="void" name="x = 4, y = 8, z = 5" region="13 -16 26 -29 18 -21" universe="1" />
-  <cell id="586" material="void" name="x = 5, y = 8, z = 5" region="16 -19 26 -29 18 -21" universe="1" />
-  <cell id="587" material="void" name="x = 6, y = 8, z = 5" region="19 -22 26 -29 18 -21" universe="1" />
-  <cell id="588" material="void" name="x = 7, y = 8, z = 5" region="22 -25 26 -29 18 -21" universe="1" />
-  <cell id="589" material="void" name="x = 8, y = 8, z = 5" region="25 -28 26 -29 18 -21" universe="1" />
-  <cell id="590" material="void" name="x = 9, y = 8, z = 5" region="28 -31 26 -29 18 -21" universe="1" />
-  <cell id="591" material="void" name="x = 0, y = 9, z = 5" region="1 -4 29 -32 18 -21" universe="1" />
-  <cell id="592" material="void" name="x = 1, y = 9, z = 5" region="4 -7 29 -32 18 -21" universe="1" />
-  <cell id="593" material="void" name="x = 2, y = 9, z = 5" region="7 -10 29 -32 18 -21" universe="1" />
-  <cell id="594" material="void" name="x = 3, y = 9, z = 5" region="10 -13 29 -32 18 -21" universe="1" />
-  <cell id="595" material="void" name="x = 4, y = 9, z = 5" region="13 -16 29 -32 18 -21" universe="1" />
-  <cell id="596" material="void" name="x = 5, y = 9, z = 5" region="16 -19 29 -32 18 -21" universe="1" />
-  <cell id="597" material="void" name="x = 6, y = 9, z = 5" region="19 -22 29 -32 18 -21" universe="1" />
-  <cell id="598" material="void" name="x = 7, y = 9, z = 5" region="22 -25 29 -32 18 -21" universe="1" />
-  <cell id="599" material="void" name="x = 8, y = 9, z = 5" region="25 -28 29 -32 18 -21" universe="1" />
-  <cell id="600" material="void" name="x = 9, y = 9, z = 5" region="28 -31 29 -32 18 -21" universe="1" />
-  <cell id="601" material="void" name="x = 0, y = 0, z = 6" region="1 -4 2 -5 21 -24" universe="1" />
-  <cell id="602" material="void" name="x = 1, y = 0, z = 6" region="4 -7 2 -5 21 -24" universe="1" />
-  <cell id="603" material="void" name="x = 2, y = 0, z = 6" region="7 -10 2 -5 21 -24" universe="1" />
-  <cell id="604" material="void" name="x = 3, y = 0, z = 6" region="10 -13 2 -5 21 -24" universe="1" />
-  <cell id="605" material="void" name="x = 4, y = 0, z = 6" region="13 -16 2 -5 21 -24" universe="1" />
-  <cell id="606" material="void" name="x = 5, y = 0, z = 6" region="16 -19 2 -5 21 -24" universe="1" />
-  <cell id="607" material="void" name="x = 6, y = 0, z = 6" region="19 -22 2 -5 21 -24" universe="1" />
-  <cell id="608" material="void" name="x = 7, y = 0, z = 6" region="22 -25 2 -5 21 -24" universe="1" />
-  <cell id="609" material="void" name="x = 8, y = 0, z = 6" region="25 -28 2 -5 21 -24" universe="1" />
-  <cell id="610" material="void" name="x = 9, y = 0, z = 6" region="28 -31 2 -5 21 -24" universe="1" />
-  <cell id="611" material="void" name="x = 0, y = 1, z = 6" region="1 -4 5 -8 21 -24" universe="1" />
-  <cell id="612" material="void" name="x = 1, y = 1, z = 6" region="4 -7 5 -8 21 -24" universe="1" />
-  <cell id="613" material="void" name="x = 2, y = 1, z = 6" region="7 -10 5 -8 21 -24" universe="1" />
-  <cell id="614" material="void" name="x = 3, y = 1, z = 6" region="10 -13 5 -8 21 -24" universe="1" />
-  <cell id="615" material="void" name="x = 4, y = 1, z = 6" region="13 -16 5 -8 21 -24" universe="1" />
-  <cell id="616" material="void" name="x = 5, y = 1, z = 6" region="16 -19 5 -8 21 -24" universe="1" />
-  <cell id="617" material="void" name="x = 6, y = 1, z = 6" region="19 -22 5 -8 21 -24" universe="1" />
-  <cell id="618" material="void" name="x = 7, y = 1, z = 6" region="22 -25 5 -8 21 -24" universe="1" />
-  <cell id="619" material="void" name="x = 8, y = 1, z = 6" region="25 -28 5 -8 21 -24" universe="1" />
-  <cell id="620" material="void" name="x = 9, y = 1, z = 6" region="28 -31 5 -8 21 -24" universe="1" />
-  <cell id="621" material="void" name="x = 0, y = 2, z = 6" region="1 -4 8 -11 21 -24" universe="1" />
-  <cell id="622" material="void" name="x = 1, y = 2, z = 6" region="4 -7 8 -11 21 -24" universe="1" />
-  <cell id="623" material="void" name="x = 2, y = 2, z = 6" region="7 -10 8 -11 21 -24" universe="1" />
-  <cell id="624" material="void" name="x = 3, y = 2, z = 6" region="10 -13 8 -11 21 -24" universe="1" />
-  <cell id="625" material="void" name="x = 4, y = 2, z = 6" region="13 -16 8 -11 21 -24" universe="1" />
-  <cell id="626" material="void" name="x = 5, y = 2, z = 6" region="16 -19 8 -11 21 -24" universe="1" />
-  <cell id="627" material="void" name="x = 6, y = 2, z = 6" region="19 -22 8 -11 21 -24" universe="1" />
-  <cell id="628" material="void" name="x = 7, y = 2, z = 6" region="22 -25 8 -11 21 -24" universe="1" />
-  <cell id="629" material="void" name="x = 8, y = 2, z = 6" region="25 -28 8 -11 21 -24" universe="1" />
-  <cell id="630" material="void" name="x = 9, y = 2, z = 6" region="28 -31 8 -11 21 -24" universe="1" />
-  <cell id="631" material="void" name="x = 0, y = 3, z = 6" region="1 -4 11 -14 21 -24" universe="1" />
-  <cell id="632" material="void" name="x = 1, y = 3, z = 6" region="4 -7 11 -14 21 -24" universe="1" />
-  <cell id="633" material="void" name="x = 2, y = 3, z = 6" region="7 -10 11 -14 21 -24" universe="1" />
-  <cell id="634" material="void" name="x = 3, y = 3, z = 6" region="10 -13 11 -14 21 -24" universe="1" />
-  <cell id="635" material="void" name="x = 4, y = 3, z = 6" region="13 -16 11 -14 21 -24" universe="1" />
-  <cell id="636" material="void" name="x = 5, y = 3, z = 6" region="16 -19 11 -14 21 -24" universe="1" />
-  <cell id="637" material="void" name="x = 6, y = 3, z = 6" region="19 -22 11 -14 21 -24" universe="1" />
-  <cell id="638" material="void" name="x = 7, y = 3, z = 6" region="22 -25 11 -14 21 -24" universe="1" />
-  <cell id="639" material="void" name="x = 8, y = 3, z = 6" region="25 -28 11 -14 21 -24" universe="1" />
-  <cell id="640" material="void" name="x = 9, y = 3, z = 6" region="28 -31 11 -14 21 -24" universe="1" />
-  <cell id="641" material="void" name="x = 0, y = 4, z = 6" region="1 -4 14 -17 21 -24" universe="1" />
-  <cell id="642" material="void" name="x = 1, y = 4, z = 6" region="4 -7 14 -17 21 -24" universe="1" />
-  <cell id="643" material="void" name="x = 2, y = 4, z = 6" region="7 -10 14 -17 21 -24" universe="1" />
-  <cell id="644" material="void" name="x = 3, y = 4, z = 6" region="10 -13 14 -17 21 -24" universe="1" />
-  <cell id="645" material="void" name="x = 4, y = 4, z = 6" region="13 -16 14 -17 21 -24" universe="1" />
-  <cell id="646" material="void" name="x = 5, y = 4, z = 6" region="16 -19 14 -17 21 -24" universe="1" />
-  <cell id="647" material="void" name="x = 6, y = 4, z = 6" region="19 -22 14 -17 21 -24" universe="1" />
-  <cell id="648" material="void" name="x = 7, y = 4, z = 6" region="22 -25 14 -17 21 -24" universe="1" />
-  <cell id="649" material="void" name="x = 8, y = 4, z = 6" region="25 -28 14 -17 21 -24" universe="1" />
-  <cell id="650" material="void" name="x = 9, y = 4, z = 6" region="28 -31 14 -17 21 -24" universe="1" />
-  <cell id="651" material="void" name="x = 0, y = 5, z = 6" region="1 -4 17 -20 21 -24" universe="1" />
-  <cell id="652" material="void" name="x = 1, y = 5, z = 6" region="4 -7 17 -20 21 -24" universe="1" />
-  <cell id="653" material="void" name="x = 2, y = 5, z = 6" region="7 -10 17 -20 21 -24" universe="1" />
-  <cell id="654" material="void" name="x = 3, y = 5, z = 6" region="10 -13 17 -20 21 -24" universe="1" />
-  <cell id="655" material="void" name="x = 4, y = 5, z = 6" region="13 -16 17 -20 21 -24" universe="1" />
-  <cell id="656" material="void" name="x = 5, y = 5, z = 6" region="16 -19 17 -20 21 -24" universe="1" />
-  <cell id="657" material="void" name="x = 6, y = 5, z = 6" region="19 -22 17 -20 21 -24" universe="1" />
-  <cell id="658" material="void" name="x = 7, y = 5, z = 6" region="22 -25 17 -20 21 -24" universe="1" />
-  <cell id="659" material="void" name="x = 8, y = 5, z = 6" region="25 -28 17 -20 21 -24" universe="1" />
-  <cell id="660" material="void" name="x = 9, y = 5, z = 6" region="28 -31 17 -20 21 -24" universe="1" />
-  <cell id="661" material="void" name="x = 0, y = 6, z = 6" region="1 -4 20 -23 21 -24" universe="1" />
-  <cell id="662" material="void" name="x = 1, y = 6, z = 6" region="4 -7 20 -23 21 -24" universe="1" />
-  <cell id="663" material="void" name="x = 2, y = 6, z = 6" region="7 -10 20 -23 21 -24" universe="1" />
-  <cell id="664" material="void" name="x = 3, y = 6, z = 6" region="10 -13 20 -23 21 -24" universe="1" />
-  <cell id="665" material="void" name="x = 4, y = 6, z = 6" region="13 -16 20 -23 21 -24" universe="1" />
-  <cell id="666" material="void" name="x = 5, y = 6, z = 6" region="16 -19 20 -23 21 -24" universe="1" />
-  <cell id="667" material="void" name="x = 6, y = 6, z = 6" region="19 -22 20 -23 21 -24" universe="1" />
-  <cell id="668" material="void" name="x = 7, y = 6, z = 6" region="22 -25 20 -23 21 -24" universe="1" />
-  <cell id="669" material="void" name="x = 8, y = 6, z = 6" region="25 -28 20 -23 21 -24" universe="1" />
-  <cell id="670" material="void" name="x = 9, y = 6, z = 6" region="28 -31 20 -23 21 -24" universe="1" />
-  <cell id="671" material="void" name="x = 0, y = 7, z = 6" region="1 -4 23 -26 21 -24" universe="1" />
-  <cell id="672" material="void" name="x = 1, y = 7, z = 6" region="4 -7 23 -26 21 -24" universe="1" />
-  <cell id="673" material="void" name="x = 2, y = 7, z = 6" region="7 -10 23 -26 21 -24" universe="1" />
-  <cell id="674" material="void" name="x = 3, y = 7, z = 6" region="10 -13 23 -26 21 -24" universe="1" />
-  <cell id="675" material="void" name="x = 4, y = 7, z = 6" region="13 -16 23 -26 21 -24" universe="1" />
-  <cell id="676" material="void" name="x = 5, y = 7, z = 6" region="16 -19 23 -26 21 -24" universe="1" />
-  <cell id="677" material="void" name="x = 6, y = 7, z = 6" region="19 -22 23 -26 21 -24" universe="1" />
-  <cell id="678" material="void" name="x = 7, y = 7, z = 6" region="22 -25 23 -26 21 -24" universe="1" />
-  <cell id="679" material="void" name="x = 8, y = 7, z = 6" region="25 -28 23 -26 21 -24" universe="1" />
-  <cell id="680" material="void" name="x = 9, y = 7, z = 6" region="28 -31 23 -26 21 -24" universe="1" />
-  <cell id="681" material="void" name="x = 0, y = 8, z = 6" region="1 -4 26 -29 21 -24" universe="1" />
-  <cell id="682" material="void" name="x = 1, y = 8, z = 6" region="4 -7 26 -29 21 -24" universe="1" />
-  <cell id="683" material="void" name="x = 2, y = 8, z = 6" region="7 -10 26 -29 21 -24" universe="1" />
-  <cell id="684" material="void" name="x = 3, y = 8, z = 6" region="10 -13 26 -29 21 -24" universe="1" />
-  <cell id="685" material="void" name="x = 4, y = 8, z = 6" region="13 -16 26 -29 21 -24" universe="1" />
-  <cell id="686" material="void" name="x = 5, y = 8, z = 6" region="16 -19 26 -29 21 -24" universe="1" />
-  <cell id="687" material="void" name="x = 6, y = 8, z = 6" region="19 -22 26 -29 21 -24" universe="1" />
-  <cell id="688" material="void" name="x = 7, y = 8, z = 6" region="22 -25 26 -29 21 -24" universe="1" />
-  <cell id="689" material="void" name="x = 8, y = 8, z = 6" region="25 -28 26 -29 21 -24" universe="1" />
-  <cell id="690" material="void" name="x = 9, y = 8, z = 6" region="28 -31 26 -29 21 -24" universe="1" />
-  <cell id="691" material="void" name="x = 0, y = 9, z = 6" region="1 -4 29 -32 21 -24" universe="1" />
-  <cell id="692" material="void" name="x = 1, y = 9, z = 6" region="4 -7 29 -32 21 -24" universe="1" />
-  <cell id="693" material="void" name="x = 2, y = 9, z = 6" region="7 -10 29 -32 21 -24" universe="1" />
-  <cell id="694" material="void" name="x = 3, y = 9, z = 6" region="10 -13 29 -32 21 -24" universe="1" />
-  <cell id="695" material="void" name="x = 4, y = 9, z = 6" region="13 -16 29 -32 21 -24" universe="1" />
-  <cell id="696" material="void" name="x = 5, y = 9, z = 6" region="16 -19 29 -32 21 -24" universe="1" />
-  <cell id="697" material="void" name="x = 6, y = 9, z = 6" region="19 -22 29 -32 21 -24" universe="1" />
-  <cell id="698" material="void" name="x = 7, y = 9, z = 6" region="22 -25 29 -32 21 -24" universe="1" />
-  <cell id="699" material="void" name="x = 8, y = 9, z = 6" region="25 -28 29 -32 21 -24" universe="1" />
-  <cell id="700" material="void" name="x = 9, y = 9, z = 6" region="28 -31 29 -32 21 -24" universe="1" />
-  <cell id="701" material="void" name="x = 0, y = 0, z = 7" region="1 -4 2 -5 24 -27" universe="1" />
-  <cell id="702" material="void" name="x = 1, y = 0, z = 7" region="4 -7 2 -5 24 -27" universe="1" />
-  <cell id="703" material="void" name="x = 2, y = 0, z = 7" region="7 -10 2 -5 24 -27" universe="1" />
-  <cell id="704" material="void" name="x = 3, y = 0, z = 7" region="10 -13 2 -5 24 -27" universe="1" />
-  <cell id="705" material="void" name="x = 4, y = 0, z = 7" region="13 -16 2 -5 24 -27" universe="1" />
-  <cell id="706" material="void" name="x = 5, y = 0, z = 7" region="16 -19 2 -5 24 -27" universe="1" />
-  <cell id="707" material="void" name="x = 6, y = 0, z = 7" region="19 -22 2 -5 24 -27" universe="1" />
-  <cell id="708" material="void" name="x = 7, y = 0, z = 7" region="22 -25 2 -5 24 -27" universe="1" />
-  <cell id="709" material="void" name="x = 8, y = 0, z = 7" region="25 -28 2 -5 24 -27" universe="1" />
-  <cell id="710" material="void" name="x = 9, y = 0, z = 7" region="28 -31 2 -5 24 -27" universe="1" />
-  <cell id="711" material="void" name="x = 0, y = 1, z = 7" region="1 -4 5 -8 24 -27" universe="1" />
-  <cell id="712" material="void" name="x = 1, y = 1, z = 7" region="4 -7 5 -8 24 -27" universe="1" />
-  <cell id="713" material="void" name="x = 2, y = 1, z = 7" region="7 -10 5 -8 24 -27" universe="1" />
-  <cell id="714" material="void" name="x = 3, y = 1, z = 7" region="10 -13 5 -8 24 -27" universe="1" />
-  <cell id="715" material="void" name="x = 4, y = 1, z = 7" region="13 -16 5 -8 24 -27" universe="1" />
-  <cell id="716" material="void" name="x = 5, y = 1, z = 7" region="16 -19 5 -8 24 -27" universe="1" />
-  <cell id="717" material="void" name="x = 6, y = 1, z = 7" region="19 -22 5 -8 24 -27" universe="1" />
-  <cell id="718" material="void" name="x = 7, y = 1, z = 7" region="22 -25 5 -8 24 -27" universe="1" />
-  <cell id="719" material="void" name="x = 8, y = 1, z = 7" region="25 -28 5 -8 24 -27" universe="1" />
-  <cell id="720" material="void" name="x = 9, y = 1, z = 7" region="28 -31 5 -8 24 -27" universe="1" />
-  <cell id="721" material="void" name="x = 0, y = 2, z = 7" region="1 -4 8 -11 24 -27" universe="1" />
-  <cell id="722" material="void" name="x = 1, y = 2, z = 7" region="4 -7 8 -11 24 -27" universe="1" />
-  <cell id="723" material="void" name="x = 2, y = 2, z = 7" region="7 -10 8 -11 24 -27" universe="1" />
-  <cell id="724" material="void" name="x = 3, y = 2, z = 7" region="10 -13 8 -11 24 -27" universe="1" />
-  <cell id="725" material="void" name="x = 4, y = 2, z = 7" region="13 -16 8 -11 24 -27" universe="1" />
-  <cell id="726" material="void" name="x = 5, y = 2, z = 7" region="16 -19 8 -11 24 -27" universe="1" />
-  <cell id="727" material="void" name="x = 6, y = 2, z = 7" region="19 -22 8 -11 24 -27" universe="1" />
-  <cell id="728" material="void" name="x = 7, y = 2, z = 7" region="22 -25 8 -11 24 -27" universe="1" />
-  <cell id="729" material="void" name="x = 8, y = 2, z = 7" region="25 -28 8 -11 24 -27" universe="1" />
-  <cell id="730" material="void" name="x = 9, y = 2, z = 7" region="28 -31 8 -11 24 -27" universe="1" />
-  <cell id="731" material="void" name="x = 0, y = 3, z = 7" region="1 -4 11 -14 24 -27" universe="1" />
-  <cell id="732" material="void" name="x = 1, y = 3, z = 7" region="4 -7 11 -14 24 -27" universe="1" />
-  <cell id="733" material="void" name="x = 2, y = 3, z = 7" region="7 -10 11 -14 24 -27" universe="1" />
-  <cell id="734" material="void" name="x = 3, y = 3, z = 7" region="10 -13 11 -14 24 -27" universe="1" />
-  <cell id="735" material="void" name="x = 4, y = 3, z = 7" region="13 -16 11 -14 24 -27" universe="1" />
-  <cell id="736" material="void" name="x = 5, y = 3, z = 7" region="16 -19 11 -14 24 -27" universe="1" />
-  <cell id="737" material="void" name="x = 6, y = 3, z = 7" region="19 -22 11 -14 24 -27" universe="1" />
-  <cell id="738" material="void" name="x = 7, y = 3, z = 7" region="22 -25 11 -14 24 -27" universe="1" />
-  <cell id="739" material="void" name="x = 8, y = 3, z = 7" region="25 -28 11 -14 24 -27" universe="1" />
-  <cell id="740" material="void" name="x = 9, y = 3, z = 7" region="28 -31 11 -14 24 -27" universe="1" />
-  <cell id="741" material="void" name="x = 0, y = 4, z = 7" region="1 -4 14 -17 24 -27" universe="1" />
-  <cell id="742" material="void" name="x = 1, y = 4, z = 7" region="4 -7 14 -17 24 -27" universe="1" />
-  <cell id="743" material="void" name="x = 2, y = 4, z = 7" region="7 -10 14 -17 24 -27" universe="1" />
-  <cell id="744" material="void" name="x = 3, y = 4, z = 7" region="10 -13 14 -17 24 -27" universe="1" />
-  <cell id="745" material="void" name="x = 4, y = 4, z = 7" region="13 -16 14 -17 24 -27" universe="1" />
-  <cell id="746" material="void" name="x = 5, y = 4, z = 7" region="16 -19 14 -17 24 -27" universe="1" />
-  <cell id="747" material="void" name="x = 6, y = 4, z = 7" region="19 -22 14 -17 24 -27" universe="1" />
-  <cell id="748" material="void" name="x = 7, y = 4, z = 7" region="22 -25 14 -17 24 -27" universe="1" />
-  <cell id="749" material="void" name="x = 8, y = 4, z = 7" region="25 -28 14 -17 24 -27" universe="1" />
-  <cell id="750" material="void" name="x = 9, y = 4, z = 7" region="28 -31 14 -17 24 -27" universe="1" />
-  <cell id="751" material="void" name="x = 0, y = 5, z = 7" region="1 -4 17 -20 24 -27" universe="1" />
-  <cell id="752" material="void" name="x = 1, y = 5, z = 7" region="4 -7 17 -20 24 -27" universe="1" />
-  <cell id="753" material="void" name="x = 2, y = 5, z = 7" region="7 -10 17 -20 24 -27" universe="1" />
-  <cell id="754" material="void" name="x = 3, y = 5, z = 7" region="10 -13 17 -20 24 -27" universe="1" />
-  <cell id="755" material="void" name="x = 4, y = 5, z = 7" region="13 -16 17 -20 24 -27" universe="1" />
-  <cell id="756" material="void" name="x = 5, y = 5, z = 7" region="16 -19 17 -20 24 -27" universe="1" />
-  <cell id="757" material="void" name="x = 6, y = 5, z = 7" region="19 -22 17 -20 24 -27" universe="1" />
-  <cell id="758" material="void" name="x = 7, y = 5, z = 7" region="22 -25 17 -20 24 -27" universe="1" />
-  <cell id="759" material="void" name="x = 8, y = 5, z = 7" region="25 -28 17 -20 24 -27" universe="1" />
-  <cell id="760" material="void" name="x = 9, y = 5, z = 7" region="28 -31 17 -20 24 -27" universe="1" />
-  <cell id="761" material="void" name="x = 0, y = 6, z = 7" region="1 -4 20 -23 24 -27" universe="1" />
-  <cell id="762" material="void" name="x = 1, y = 6, z = 7" region="4 -7 20 -23 24 -27" universe="1" />
-  <cell id="763" material="void" name="x = 2, y = 6, z = 7" region="7 -10 20 -23 24 -27" universe="1" />
-  <cell id="764" material="void" name="x = 3, y = 6, z = 7" region="10 -13 20 -23 24 -27" universe="1" />
-  <cell id="765" material="void" name="x = 4, y = 6, z = 7" region="13 -16 20 -23 24 -27" universe="1" />
-  <cell id="766" material="void" name="x = 5, y = 6, z = 7" region="16 -19 20 -23 24 -27" universe="1" />
-  <cell id="767" material="void" name="x = 6, y = 6, z = 7" region="19 -22 20 -23 24 -27" universe="1" />
-  <cell id="768" material="void" name="x = 7, y = 6, z = 7" region="22 -25 20 -23 24 -27" universe="1" />
-  <cell id="769" material="void" name="x = 8, y = 6, z = 7" region="25 -28 20 -23 24 -27" universe="1" />
-  <cell id="770" material="void" name="x = 9, y = 6, z = 7" region="28 -31 20 -23 24 -27" universe="1" />
-  <cell id="771" material="void" name="x = 0, y = 7, z = 7" region="1 -4 23 -26 24 -27" universe="1" />
-  <cell id="772" material="void" name="x = 1, y = 7, z = 7" region="4 -7 23 -26 24 -27" universe="1" />
-  <cell id="773" material="void" name="x = 2, y = 7, z = 7" region="7 -10 23 -26 24 -27" universe="1" />
-  <cell id="774" material="void" name="x = 3, y = 7, z = 7" region="10 -13 23 -26 24 -27" universe="1" />
-  <cell id="775" material="void" name="x = 4, y = 7, z = 7" region="13 -16 23 -26 24 -27" universe="1" />
-  <cell id="776" material="void" name="x = 5, y = 7, z = 7" region="16 -19 23 -26 24 -27" universe="1" />
-  <cell id="777" material="void" name="x = 6, y = 7, z = 7" region="19 -22 23 -26 24 -27" universe="1" />
-  <cell id="778" material="void" name="x = 7, y = 7, z = 7" region="22 -25 23 -26 24 -27" universe="1" />
-  <cell id="779" material="void" name="x = 8, y = 7, z = 7" region="25 -28 23 -26 24 -27" universe="1" />
-  <cell id="780" material="void" name="x = 9, y = 7, z = 7" region="28 -31 23 -26 24 -27" universe="1" />
-  <cell id="781" material="void" name="x = 0, y = 8, z = 7" region="1 -4 26 -29 24 -27" universe="1" />
-  <cell id="782" material="void" name="x = 1, y = 8, z = 7" region="4 -7 26 -29 24 -27" universe="1" />
-  <cell id="783" material="void" name="x = 2, y = 8, z = 7" region="7 -10 26 -29 24 -27" universe="1" />
-  <cell id="784" material="void" name="x = 3, y = 8, z = 7" region="10 -13 26 -29 24 -27" universe="1" />
-  <cell id="785" material="void" name="x = 4, y = 8, z = 7" region="13 -16 26 -29 24 -27" universe="1" />
-  <cell id="786" material="void" name="x = 5, y = 8, z = 7" region="16 -19 26 -29 24 -27" universe="1" />
-  <cell id="787" material="void" name="x = 6, y = 8, z = 7" region="19 -22 26 -29 24 -27" universe="1" />
-  <cell id="788" material="void" name="x = 7, y = 8, z = 7" region="22 -25 26 -29 24 -27" universe="1" />
-  <cell id="789" material="void" name="x = 8, y = 8, z = 7" region="25 -28 26 -29 24 -27" universe="1" />
-  <cell id="790" material="void" name="x = 9, y = 8, z = 7" region="28 -31 26 -29 24 -27" universe="1" />
-  <cell id="791" material="void" name="x = 0, y = 9, z = 7" region="1 -4 29 -32 24 -27" universe="1" />
-  <cell id="792" material="void" name="x = 1, y = 9, z = 7" region="4 -7 29 -32 24 -27" universe="1" />
-  <cell id="793" material="void" name="x = 2, y = 9, z = 7" region="7 -10 29 -32 24 -27" universe="1" />
-  <cell id="794" material="void" name="x = 3, y = 9, z = 7" region="10 -13 29 -32 24 -27" universe="1" />
-  <cell id="795" material="void" name="x = 4, y = 9, z = 7" region="13 -16 29 -32 24 -27" universe="1" />
-  <cell id="796" material="void" name="x = 5, y = 9, z = 7" region="16 -19 29 -32 24 -27" universe="1" />
-  <cell id="797" material="void" name="x = 6, y = 9, z = 7" region="19 -22 29 -32 24 -27" universe="1" />
-  <cell id="798" material="void" name="x = 7, y = 9, z = 7" region="22 -25 29 -32 24 -27" universe="1" />
-  <cell id="799" material="void" name="x = 8, y = 9, z = 7" region="25 -28 29 -32 24 -27" universe="1" />
-  <cell id="800" material="void" name="x = 9, y = 9, z = 7" region="28 -31 29 -32 24 -27" universe="1" />
-  <cell id="801" material="void" name="x = 0, y = 0, z = 8" region="1 -4 2 -5 27 -30" universe="1" />
-  <cell id="802" material="void" name="x = 1, y = 0, z = 8" region="4 -7 2 -5 27 -30" universe="1" />
-  <cell id="803" material="void" name="x = 2, y = 0, z = 8" region="7 -10 2 -5 27 -30" universe="1" />
-  <cell id="804" material="void" name="x = 3, y = 0, z = 8" region="10 -13 2 -5 27 -30" universe="1" />
-  <cell id="805" material="void" name="x = 4, y = 0, z = 8" region="13 -16 2 -5 27 -30" universe="1" />
-  <cell id="806" material="void" name="x = 5, y = 0, z = 8" region="16 -19 2 -5 27 -30" universe="1" />
-  <cell id="807" material="void" name="x = 6, y = 0, z = 8" region="19 -22 2 -5 27 -30" universe="1" />
-  <cell id="808" material="void" name="x = 7, y = 0, z = 8" region="22 -25 2 -5 27 -30" universe="1" />
-  <cell id="809" material="void" name="x = 8, y = 0, z = 8" region="25 -28 2 -5 27 -30" universe="1" />
-  <cell id="810" material="void" name="x = 9, y = 0, z = 8" region="28 -31 2 -5 27 -30" universe="1" />
-  <cell id="811" material="void" name="x = 0, y = 1, z = 8" region="1 -4 5 -8 27 -30" universe="1" />
-  <cell id="812" material="void" name="x = 1, y = 1, z = 8" region="4 -7 5 -8 27 -30" universe="1" />
-  <cell id="813" material="void" name="x = 2, y = 1, z = 8" region="7 -10 5 -8 27 -30" universe="1" />
-  <cell id="814" material="void" name="x = 3, y = 1, z = 8" region="10 -13 5 -8 27 -30" universe="1" />
-  <cell id="815" material="void" name="x = 4, y = 1, z = 8" region="13 -16 5 -8 27 -30" universe="1" />
-  <cell id="816" material="void" name="x = 5, y = 1, z = 8" region="16 -19 5 -8 27 -30" universe="1" />
-  <cell id="817" material="void" name="x = 6, y = 1, z = 8" region="19 -22 5 -8 27 -30" universe="1" />
-  <cell id="818" material="void" name="x = 7, y = 1, z = 8" region="22 -25 5 -8 27 -30" universe="1" />
-  <cell id="819" material="void" name="x = 8, y = 1, z = 8" region="25 -28 5 -8 27 -30" universe="1" />
-  <cell id="820" material="void" name="x = 9, y = 1, z = 8" region="28 -31 5 -8 27 -30" universe="1" />
-  <cell id="821" material="void" name="x = 0, y = 2, z = 8" region="1 -4 8 -11 27 -30" universe="1" />
-  <cell id="822" material="void" name="x = 1, y = 2, z = 8" region="4 -7 8 -11 27 -30" universe="1" />
-  <cell id="823" material="void" name="x = 2, y = 2, z = 8" region="7 -10 8 -11 27 -30" universe="1" />
-  <cell id="824" material="void" name="x = 3, y = 2, z = 8" region="10 -13 8 -11 27 -30" universe="1" />
-  <cell id="825" material="void" name="x = 4, y = 2, z = 8" region="13 -16 8 -11 27 -30" universe="1" />
-  <cell id="826" material="void" name="x = 5, y = 2, z = 8" region="16 -19 8 -11 27 -30" universe="1" />
-  <cell id="827" material="void" name="x = 6, y = 2, z = 8" region="19 -22 8 -11 27 -30" universe="1" />
-  <cell id="828" material="void" name="x = 7, y = 2, z = 8" region="22 -25 8 -11 27 -30" universe="1" />
-  <cell id="829" material="void" name="x = 8, y = 2, z = 8" region="25 -28 8 -11 27 -30" universe="1" />
-  <cell id="830" material="void" name="x = 9, y = 2, z = 8" region="28 -31 8 -11 27 -30" universe="1" />
-  <cell id="831" material="void" name="x = 0, y = 3, z = 8" region="1 -4 11 -14 27 -30" universe="1" />
-  <cell id="832" material="void" name="x = 1, y = 3, z = 8" region="4 -7 11 -14 27 -30" universe="1" />
-  <cell id="833" material="void" name="x = 2, y = 3, z = 8" region="7 -10 11 -14 27 -30" universe="1" />
-  <cell id="834" material="void" name="x = 3, y = 3, z = 8" region="10 -13 11 -14 27 -30" universe="1" />
-  <cell id="835" material="void" name="x = 4, y = 3, z = 8" region="13 -16 11 -14 27 -30" universe="1" />
-  <cell id="836" material="void" name="x = 5, y = 3, z = 8" region="16 -19 11 -14 27 -30" universe="1" />
-  <cell id="837" material="void" name="x = 6, y = 3, z = 8" region="19 -22 11 -14 27 -30" universe="1" />
-  <cell id="838" material="void" name="x = 7, y = 3, z = 8" region="22 -25 11 -14 27 -30" universe="1" />
-  <cell id="839" material="void" name="x = 8, y = 3, z = 8" region="25 -28 11 -14 27 -30" universe="1" />
-  <cell id="840" material="void" name="x = 9, y = 3, z = 8" region="28 -31 11 -14 27 -30" universe="1" />
-  <cell id="841" material="void" name="x = 0, y = 4, z = 8" region="1 -4 14 -17 27 -30" universe="1" />
-  <cell id="842" material="void" name="x = 1, y = 4, z = 8" region="4 -7 14 -17 27 -30" universe="1" />
-  <cell id="843" material="void" name="x = 2, y = 4, z = 8" region="7 -10 14 -17 27 -30" universe="1" />
-  <cell id="844" material="void" name="x = 3, y = 4, z = 8" region="10 -13 14 -17 27 -30" universe="1" />
-  <cell id="845" material="void" name="x = 4, y = 4, z = 8" region="13 -16 14 -17 27 -30" universe="1" />
-  <cell id="846" material="void" name="x = 5, y = 4, z = 8" region="16 -19 14 -17 27 -30" universe="1" />
-  <cell id="847" material="void" name="x = 6, y = 4, z = 8" region="19 -22 14 -17 27 -30" universe="1" />
-  <cell id="848" material="void" name="x = 7, y = 4, z = 8" region="22 -25 14 -17 27 -30" universe="1" />
-  <cell id="849" material="void" name="x = 8, y = 4, z = 8" region="25 -28 14 -17 27 -30" universe="1" />
-  <cell id="850" material="void" name="x = 9, y = 4, z = 8" region="28 -31 14 -17 27 -30" universe="1" />
-  <cell id="851" material="void" name="x = 0, y = 5, z = 8" region="1 -4 17 -20 27 -30" universe="1" />
-  <cell id="852" material="void" name="x = 1, y = 5, z = 8" region="4 -7 17 -20 27 -30" universe="1" />
-  <cell id="853" material="void" name="x = 2, y = 5, z = 8" region="7 -10 17 -20 27 -30" universe="1" />
-  <cell id="854" material="void" name="x = 3, y = 5, z = 8" region="10 -13 17 -20 27 -30" universe="1" />
-  <cell id="855" material="void" name="x = 4, y = 5, z = 8" region="13 -16 17 -20 27 -30" universe="1" />
-  <cell id="856" material="void" name="x = 5, y = 5, z = 8" region="16 -19 17 -20 27 -30" universe="1" />
-  <cell id="857" material="void" name="x = 6, y = 5, z = 8" region="19 -22 17 -20 27 -30" universe="1" />
-  <cell id="858" material="void" name="x = 7, y = 5, z = 8" region="22 -25 17 -20 27 -30" universe="1" />
-  <cell id="859" material="void" name="x = 8, y = 5, z = 8" region="25 -28 17 -20 27 -30" universe="1" />
-  <cell id="860" material="void" name="x = 9, y = 5, z = 8" region="28 -31 17 -20 27 -30" universe="1" />
-  <cell id="861" material="void" name="x = 0, y = 6, z = 8" region="1 -4 20 -23 27 -30" universe="1" />
-  <cell id="862" material="void" name="x = 1, y = 6, z = 8" region="4 -7 20 -23 27 -30" universe="1" />
-  <cell id="863" material="void" name="x = 2, y = 6, z = 8" region="7 -10 20 -23 27 -30" universe="1" />
-  <cell id="864" material="void" name="x = 3, y = 6, z = 8" region="10 -13 20 -23 27 -30" universe="1" />
-  <cell id="865" material="void" name="x = 4, y = 6, z = 8" region="13 -16 20 -23 27 -30" universe="1" />
-  <cell id="866" material="void" name="x = 5, y = 6, z = 8" region="16 -19 20 -23 27 -30" universe="1" />
-  <cell id="867" material="void" name="x = 6, y = 6, z = 8" region="19 -22 20 -23 27 -30" universe="1" />
-  <cell id="868" material="void" name="x = 7, y = 6, z = 8" region="22 -25 20 -23 27 -30" universe="1" />
-  <cell id="869" material="void" name="x = 8, y = 6, z = 8" region="25 -28 20 -23 27 -30" universe="1" />
-  <cell id="870" material="void" name="x = 9, y = 6, z = 8" region="28 -31 20 -23 27 -30" universe="1" />
-  <cell id="871" material="void" name="x = 0, y = 7, z = 8" region="1 -4 23 -26 27 -30" universe="1" />
-  <cell id="872" material="void" name="x = 1, y = 7, z = 8" region="4 -7 23 -26 27 -30" universe="1" />
-  <cell id="873" material="void" name="x = 2, y = 7, z = 8" region="7 -10 23 -26 27 -30" universe="1" />
-  <cell id="874" material="void" name="x = 3, y = 7, z = 8" region="10 -13 23 -26 27 -30" universe="1" />
-  <cell id="875" material="void" name="x = 4, y = 7, z = 8" region="13 -16 23 -26 27 -30" universe="1" />
-  <cell id="876" material="void" name="x = 5, y = 7, z = 8" region="16 -19 23 -26 27 -30" universe="1" />
-  <cell id="877" material="void" name="x = 6, y = 7, z = 8" region="19 -22 23 -26 27 -30" universe="1" />
-  <cell id="878" material="void" name="x = 7, y = 7, z = 8" region="22 -25 23 -26 27 -30" universe="1" />
-  <cell id="879" material="void" name="x = 8, y = 7, z = 8" region="25 -28 23 -26 27 -30" universe="1" />
-  <cell id="880" material="void" name="x = 9, y = 7, z = 8" region="28 -31 23 -26 27 -30" universe="1" />
-  <cell id="881" material="void" name="x = 0, y = 8, z = 8" region="1 -4 26 -29 27 -30" universe="1" />
-  <cell id="882" material="void" name="x = 1, y = 8, z = 8" region="4 -7 26 -29 27 -30" universe="1" />
-  <cell id="883" material="void" name="x = 2, y = 8, z = 8" region="7 -10 26 -29 27 -30" universe="1" />
-  <cell id="884" material="void" name="x = 3, y = 8, z = 8" region="10 -13 26 -29 27 -30" universe="1" />
-  <cell id="885" material="void" name="x = 4, y = 8, z = 8" region="13 -16 26 -29 27 -30" universe="1" />
-  <cell id="886" material="void" name="x = 5, y = 8, z = 8" region="16 -19 26 -29 27 -30" universe="1" />
-  <cell id="887" material="void" name="x = 6, y = 8, z = 8" region="19 -22 26 -29 27 -30" universe="1" />
-  <cell id="888" material="void" name="x = 7, y = 8, z = 8" region="22 -25 26 -29 27 -30" universe="1" />
-  <cell id="889" material="void" name="x = 8, y = 8, z = 8" region="25 -28 26 -29 27 -30" universe="1" />
-  <cell id="890" material="void" name="x = 9, y = 8, z = 8" region="28 -31 26 -29 27 -30" universe="1" />
-  <cell id="891" material="void" name="x = 0, y = 9, z = 8" region="1 -4 29 -32 27 -30" universe="1" />
-  <cell id="892" material="void" name="x = 1, y = 9, z = 8" region="4 -7 29 -32 27 -30" universe="1" />
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+  <cell id="950" material="void" universe="949" />
+  <cell id="951" material="void" universe="950" />
+  <cell id="952" material="void" universe="951" />
+  <cell id="953" material="void" universe="952" />
+  <cell id="954" material="void" universe="953" />
+  <cell id="955" material="void" universe="954" />
+  <cell id="956" material="void" universe="955" />
+  <cell id="957" material="void" universe="956" />
+  <cell id="958" material="void" universe="957" />
+  <cell id="959" material="void" universe="958" />
+  <cell id="960" material="void" universe="959" />
+  <cell id="961" material="void" universe="960" />
+  <cell id="962" material="void" universe="961" />
+  <cell id="963" material="void" universe="962" />
+  <cell id="964" material="void" universe="963" />
+  <cell id="965" material="void" universe="964" />
+  <cell id="966" material="void" universe="965" />
+  <cell id="967" material="void" universe="966" />
+  <cell id="968" material="void" universe="967" />
+  <cell id="969" material="void" universe="968" />
+  <cell id="970" material="void" universe="969" />
+  <cell id="971" material="void" universe="970" />
+  <cell id="972" material="void" universe="971" />
+  <cell id="973" material="void" universe="972" />
+  <cell id="974" material="void" universe="973" />
+  <cell id="975" material="void" universe="974" />
+  <cell id="976" material="void" universe="975" />
+  <cell id="977" material="void" universe="976" />
+  <cell id="978" material="void" universe="977" />
+  <cell id="979" material="void" universe="978" />
+  <cell id="980" material="void" universe="979" />
+  <cell id="981" material="void" universe="980" />
+  <cell id="982" material="void" universe="981" />
+  <cell id="983" material="void" universe="982" />
+  <cell id="984" material="void" universe="983" />
+  <cell id="985" material="void" universe="984" />
+  <cell id="986" material="void" universe="985" />
+  <cell id="987" material="void" universe="986" />
+  <cell id="988" material="void" universe="987" />
+  <cell id="989" material="void" universe="988" />
+  <cell id="990" material="void" universe="989" />
+  <cell id="991" material="void" universe="990" />
+  <cell id="992" material="void" universe="991" />
+  <cell id="993" material="void" universe="992" />
+  <cell id="994" material="void" universe="993" />
+  <cell id="995" material="void" universe="994" />
+  <cell id="996" material="void" universe="995" />
+  <cell id="997" material="void" universe="996" />
+  <cell id="998" material="void" universe="997" />
+  <cell id="999" material="void" universe="998" />
+  <cell id="1000" material="void" universe="999" />
+  <cell id="1001" material="void" universe="1000" />
+  <lattice id="1001">
+    <pitch>2 2 2</pitch>
+    <dimension>10 10 10</dimension>
+    <lower_left>-10 -10 -10</lower_left>
+    <universes>
+91 92 93 94 95 96 97 98 99 100 
+81 82 83 84 85 86 87 88 89 90 
+71 72 73 74 75 76 77 78 79 80 
+61 62 63 64 65 66 67 68 69 70 
+51 52 53 54 55 56 57 58 59 60 
+41 42 43 44 45 46 47 48 49 50 
+31 32 33 34 35 36 37 38 39 40 
+21 22 23 24 25 26 27 28 29 30 
+11 12 13 14 15 16 17 18 19 20 
+1 2 3 4 5 6 7 8 9 10 
+
+191 192 193 194 195 196 197 198 199 200 
+181 182 183 184 185 186 187 188 189 190 
+171 172 173 174 175 176 177 178 179 180 
+161 162 163 164 165 166 167 168 169 170 
+151 152 153 154 155 156 157 158 159 160 
+141 142 143 144 145 146 147 148 149 150 
+131 132 133 134 135 136 137 138 139 140 
+121 122 123 124 125 126 127 128 129 130 
+111 112 113 114 115 116 117 118 119 120 
+101 102 103 104 105 106 107 108 109 110 
+
+291 292 293 294 295 296 297 298 299 300 
+281 282 283 284 285 286 287 288 289 290 
+271 272 273 274 275 276 277 278 279 280 
+261 262 263 264 265 266 267 268 269 270 
+251 252 253 254 255 256 257 258 259 260 
+241 242 243 244 245 246 247 248 249 250 
+231 232 233 234 235 236 237 238 239 240 
+221 222 223 224 225 226 227 228 229 230 
+211 212 213 214 215 216 217 218 219 220 
+201 202 203 204 205 206 207 208 209 210 
+
+391 392 393 394 395 396 397 398 399 400 
+381 382 383 384 385 386 387 388 389 390 
+371 372 373 374 375 376 377 378 379 380 
+361 362 363 364 365 366 367 368 369 370 
+351 352 353 354 355 356 357 358 359 360 
+341 342 343 344 345 346 347 348 349 350 
+331 332 333 334 335 336 337 338 339 340 
+321 322 323 324 325 326 327 328 329 330 
+311 312 313 314 315 316 317 318 319 320 
+301 302 303 304 305 306 307 308 309 310 
+
+491 492 493 494 495 496 497 498 499 500 
+481 482 483 484 485 486 487 488 489 490 
+471 472 473 474 475 476 477 478 479 480 
+461 462 463 464 465 466 467 468 469 470 
+451 452 453 454 455 456 457 458 459 460 
+441 442 443 444 445 446 447 448 449 450 
+431 432 433 434 435 436 437 438 439 440 
+421 422 423 424 425 426 427 428 429 430 
+411 412 413 414 415 416 417 418 419 420 
+401 402 403 404 405 406 407 408 409 410 
+
+591 592 593 594 595 596 597 598 599 600 
+581 582 583 584 585 586 587 588 589 590 
+571 572 573 574 575 576 577 578 579 580 
+561 562 563 564 565 566 567 568 569 570 
+551 552 553 554 555 556 557 558 559 560 
+541 542 543 544 545 546 547 548 549 550 
+531 532 533 534 535 536 537 538 539 540 
+521 522 523 524 525 526 527 528 529 530 
+511 512 513 514 515 516 517 518 519 520 
+501 502 503 504 505 506 507 508 509 510 
+
+691 692 693 694 695 696 697 698 699 700 
+681 682 683 684 685 686 687 688 689 690 
+671 672 673 674 675 676 677 678 679 680 
+661 662 663 664 665 666 667 668 669 670 
+651 652 653 654 655 656 657 658 659 660 
+641 642 643 644 645 646 647 648 649 650 
+631 632 633 634 635 636 637 638 639 640 
+621 622 623 624 625 626 627 628 629 630 
+611 612 613 614 615 616 617 618 619 620 
+601 602 603 604 605 606 607 608 609 610 
+
+791 792 793 794 795 796 797 798 799 800 
+781 782 783 784 785 786 787 788 789 790 
+771 772 773 774 775 776 777 778 779 780 
+761 762 763 764 765 766 767 768 769 770 
+751 752 753 754 755 756 757 758 759 760 
+741 742 743 744 745 746 747 748 749 750 
+731 732 733 734 735 736 737 738 739 740 
+721 722 723 724 725 726 727 728 729 730 
+711 712 713 714 715 716 717 718 719 720 
+701 702 703 704 705 706 707 708 709 710 
+
+891 892 893 894 895 896 897 898 899 900 
+881 882 883 884 885 886 887 888 889 890 
+871 872 873 874 875 876 877 878 879 880 
+861 862 863 864 865 866 867 868 869 870 
+851 852 853 854 855 856 857 858 859 860 
+841 842 843 844 845 846 847 848 849 850 
+831 832 833 834 835 836 837 838 839 840 
+821 822 823 824 825 826 827 828 829 830 
+811 812 813 814 815 816 817 818 819 820 
+801 802 803 804 805 806 807 808 809 810 
+
+991 992 993 994 995 996 997 998 999 1000 
+981 982 983 984 985 986 987 988 989 990 
+971 972 973 974 975 976 977 978 979 980 
+961 962 963 964 965 966 967 968 969 970 
+951 952 953 954 955 956 957 958 959 960 
+941 942 943 944 945 946 947 948 949 950 
+931 932 933 934 935 936 937 938 939 940 
+921 922 923 924 925 926 927 928 929 930 
+911 912 913 914 915 916 917 918 919 920 
+901 902 903 904 905 906 907 908 909 910 </universes>
+  </lattice>
+  <surface boundary="vacuum" coeffs="-10" id="1" type="x-plane" />
+  <surface boundary="vacuum" coeffs="10" id="2" type="x-plane" />
+  <surface boundary="vacuum" coeffs="-10" id="3" type="y-plane" />
+  <surface boundary="vacuum" coeffs="10" id="4" type="y-plane" />
+  <surface boundary="vacuum" coeffs="-10" id="5" type="z-plane" />
+  <surface boundary="vacuum" coeffs="10" id="6" type="z-plane" />
 </geometry>
 <?xml version='1.0' encoding='utf-8'?>
 <materials>
diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/test.py b/tests/regression_tests/unstructured_mesh/source_sampling/test.py
index 3612c6cf4..d4b445f35 100644
--- a/tests/regression_tests/unstructured_mesh/source_sampling/test.py
+++ b/tests/regression_tests/unstructured_mesh/source_sampling/test.py
@@ -13,6 +13,8 @@ from subprocess import call
 
 TETS_PER_VOXEL = 12
 
+# This test uses a geometry file that resembles a regular mesh.
+
 
 @pytest.fixture
 def model():
@@ -31,35 +33,19 @@ def model():
     # This test uses a geometry file that resembles a regular mesh.
     # 12 tets are used to match each voxel in the geometry.
 
-    dimen = 10
-    size_hex = 20.0 / dimen
+    # create a regular mesh that matches the superimposed mesh
+    regular_mesh = openmc.RegularMesh(mesh_id=10)
+    regular_mesh.lower_left = (-10, -10, -10)
+    regular_mesh.dimension = (10, 10, 10)
+    regular_mesh.width = (2, 2, 2)
 
-    cells = np.empty((dimen, dimen, dimen), dtype=object)
-    surfaces = np.empty((dimen + 1, 3), dtype=object)
+    root_cell, cells = regular_mesh.build_cells()
 
-    geometry = openmc.Geometry()
-    universe = openmc.Universe(universe_id=1, name="Contains all hexes")
+    geometry = openmc.Geometry(root=[root_cell])
 
-    for i in range(0,dimen+1):
-        coord = -dimen + i * size_hex
-        surfaces[i][0] = openmc.XPlane(coord, name=f"X plane at {coord}")
-        surfaces[i][1] = openmc.YPlane(coord, name=f"Y plane at {coord}")
-        surfaces[i][2] = openmc.ZPlane(coord, name=f"Z plane at {coord}")
-
-        surfaces[i][0].boundary_type = 'vacuum'
-        surfaces[i][1].boundary_type = 'vacuum'
-        surfaces[i][2].boundary_type = 'vacuum'
-
-    for (k, j, i) in np.ndindex(cells.shape):
-        cells[i][j][k] = openmc.Cell(name=("x = {}, y = {}, z = {}".format(i,j,k)))
-        cells[i][j][k].region = +surfaces[i][0] & -surfaces[i+1][0] & \
-                                +surfaces[j][1] & -surfaces[j+1][1] & \
-                                +surfaces[k][2] & -surfaces[k+1][2]
-        cells[i][j][k].fill = None
-
-        universe.add_cell(cells[i][j][k])
-
-    geometry = openmc.Geometry(universe)
+    # set boundary conditions of the root cell
+    for surface in root_cell.region.get_surfaces().values():
+        surface.boundary_type = 'vacuum'
 
     ### Settings ###
     settings = openmc.Settings()
@@ -68,10 +54,10 @@ def model():
     settings.batches = 2
 
     mesh_filename = "test_mesh_tets.e"
-
     uscd_mesh = openmc.UnstructuredMesh(mesh_filename, 'libmesh')
 
-    n_cells = len(geometry.get_all_cells())
+    # subtract one to account for root cell
+    n_cells = len(geometry.get_all_cells()) - 1
 
     # set source weights according to test case
     vol_norm = False
@@ -87,12 +73,10 @@ def model():
     energy = openmc.stats.Discrete(x=[15.e+06], p=[1.0])
     source = openmc.Source(space=space, energy=energy)
     settings.source = source
-
     return openmc.model.Model(geometry=geometry,
                               materials=materials,
                               settings=settings)
 
-
 test_cases = []
 for i, lib, in enumerate(['libmesh', 'moab']):
     test_cases.append({'library' : lib,
diff --git a/tests/unit_tests/test_source_mesh.py b/tests/unit_tests/test_source_mesh.py
index 18c6f3360..223524fdf 100644
--- a/tests/unit_tests/test_source_mesh.py
+++ b/tests/unit_tests/test_source_mesh.py
@@ -29,35 +29,19 @@ def model():
     # This test uses a geometry file that resembles a regular mesh.
     # 12 tets are used to match each voxel in the geometry.
 
-    dimen = 10
-    size_hex = 20.0 / dimen
+    # create a regular mesh that matches the superimposed mesh
+    regular_mesh = openmc.RegularMesh(mesh_id=10)
+    regular_mesh.lower_left = (-10, -10, -10)
+    regular_mesh.dimension = (10, 10, 10)
+    regular_mesh.width = (2, 2, 2)
 
-    cells = np.empty((dimen, dimen, dimen), dtype=object)
-    surfaces = np.empty((dimen + 1, 3), dtype=object)
+    root_cell, cells = regular_mesh.build_cells()
 
-    geometry = openmc.Geometry()
-    universe = openmc.Universe(universe_id=1, name="Contains all hexes")
+    geometry = openmc.Geometry(root=[root_cell])
 
-    for i in range(0, dimen+1):
-        coord = -dimen + i * size_hex
-        surfaces[i][0] = openmc.XPlane(coord, name=f"X plane at {coord}")
-        surfaces[i][1] = openmc.YPlane(coord, name=f"Y plane at {coord}")
-        surfaces[i][2] = openmc.ZPlane(coord, name=f"Z plane at {coord}")
-
-        surfaces[i][0].boundary_type = 'vacuum'
-        surfaces[i][1].boundary_type = 'vacuum'
-        surfaces[i][2].boundary_type = 'vacuum'
-
-    for (k, j, i) in np.ndindex(cells.shape):
-        cells[i][j][k] = openmc.Cell(name=("x = {}, y = {}, z = {}".format(i,j,k)))
-        cells[i][j][k].region = +surfaces[i][0] & -surfaces[i+1][0] & \
-                                +surfaces[j][1] & -surfaces[j+1][1] & \
-                                +surfaces[k][2] & -surfaces[k+1][2]
-        cells[i][j][k].fill = None
-
-        universe.add_cell(cells[i][j][k])
-
-    geometry = openmc.Geometry(universe)
+    # set boundary conditions of the root cell
+    for surface in root_cell.region.get_surfaces().values():
+        surface.boundary_type = 'vacuum'
 
     ### Settings ###
     settings = openmc.Settings()
@@ -69,6 +53,7 @@ def model():
                               materials=materials,
                               settings=settings)
 
+### Setup test cases ###
 param_values = (['libmesh', 'moab'], # mesh libraries
                 ['uniform', 'manual']) # Element weighting schemes
 
@@ -78,6 +63,7 @@ for i, (lib, schemes) in enumerate(product(*param_values)):
                        'source_strengths' : schemes})
 
 def ids(params):
+    """Test naming function for clarity"""
     return f"{params['library']}-{params['source_strengths']}"
 
 @pytest.mark.parametrize("test_cases", test_cases, ids=ids)
@@ -91,10 +77,10 @@ def test_unstructured_mesh_sampling(model, test_cases):
 
     # setup mesh source ###
     mesh_filename = "test_mesh_tets.e"
-
     uscd_mesh = openmc.UnstructuredMesh(mesh_filename, test_cases['library'])
 
-    n_cells = len(model.geometry.get_all_cells())
+    # subtract one to account for root cell produced by RegularMesh.build_cells
+    n_cells = len(model.geometry.get_all_cells()) - 1
 
     # set source weights according to test case
     if test_cases['source_strengths'] == 'uniform':
@@ -115,8 +101,6 @@ def test_unstructured_mesh_sampling(model, test_cases):
     with cdtemp(['test_mesh_tets.e']):
         model.export_to_xml()
 
-        n_cells = len(model.geometry.get_all_cells())
-
         n_measurements = 100
         n_samples = 1000
 
@@ -135,7 +119,8 @@ def test_unstructured_mesh_sampling(model, test_cases):
             cells = [openmc.lib.find_cell(s.r) for s in sites]
 
             for c in cells:
-                cell_counts[c[0]._index, m] += 1
+                # subtract one from index to account for root cell
+                cell_counts[c[0]._index - 1, m] += 1
 
         openmc.lib.finalize()
 

From 7fd2f0d7ff28f21032005ed9c4389bffbfa6f6c0 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Tue, 27 Dec 2022 11:50:29 -0600
Subject: [PATCH 1451/2654] Correcting filepath for test run outside directory

---
 tests/unit_tests/test_source_mesh.py | 7 ++++---
 1 file changed, 4 insertions(+), 3 deletions(-)

diff --git a/tests/unit_tests/test_source_mesh.py b/tests/unit_tests/test_source_mesh.py
index 223524fdf..ffc7d73b4 100644
--- a/tests/unit_tests/test_source_mesh.py
+++ b/tests/unit_tests/test_source_mesh.py
@@ -1,5 +1,6 @@
 from itertools import product
 
+from pathlib import Path
 import pytest
 import numpy as np
 
@@ -67,7 +68,7 @@ def ids(params):
     return f"{params['library']}-{params['source_strengths']}"
 
 @pytest.mark.parametrize("test_cases", test_cases, ids=ids)
-def test_unstructured_mesh_sampling(model, test_cases):
+def test_unstructured_mesh_sampling(model, request, test_cases):
     # skip the test if the library is not enabled
     if test_cases['library'] == 'moab' and not openmc.lib._dagmc_enabled():
         pytest.skip("DAGMC (and MOAB) mesh not enabled in this build.")
@@ -76,7 +77,7 @@ def test_unstructured_mesh_sampling(model, test_cases):
         pytest.skip("LibMesh is not enabled in this build.")
 
     # setup mesh source ###
-    mesh_filename = "test_mesh_tets.e"
+    mesh_filename = Path(request.fspath).parent / "test_mesh_tets.e"
     uscd_mesh = openmc.UnstructuredMesh(mesh_filename, test_cases['library'])
 
     # subtract one to account for root cell produced by RegularMesh.build_cells
@@ -98,7 +99,7 @@ def test_unstructured_mesh_sampling(model, test_cases):
     source = openmc.Source(space=space, energy=energy)
     model.settings.source = source
 
-    with cdtemp(['test_mesh_tets.e']):
+    with cdtemp([mesh_filename]):
         model.export_to_xml()
 
         n_measurements = 100

From f001d411eee02ba8a6e7599e9235a2adf25d5421 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Tue, 27 Dec 2022 12:21:01 -0600
Subject: [PATCH 1452/2654] More small improvements to tests

---
 .../unstructured_mesh/source_sampling/test.py | 37 +++++++++++--------
 tests/unit_tests/test_source_mesh.py          |  5 ++-
 2 files changed, 26 insertions(+), 16 deletions(-)

diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/test.py b/tests/regression_tests/unstructured_mesh/source_sampling/test.py
index d4b445f35..83458e440 100644
--- a/tests/regression_tests/unstructured_mesh/source_sampling/test.py
+++ b/tests/regression_tests/unstructured_mesh/source_sampling/test.py
@@ -1,5 +1,6 @@
 from itertools import product
 
+from pathlib import Path
 import pytest
 import numpy as np
 
@@ -8,14 +9,11 @@ import openmc.lib
 
 from tests import cdtemp
 from tests.testing_harness import PyAPITestHarness
-from tests.regression_tests import config
-from subprocess import call
 
 TETS_PER_VOXEL = 12
 
-# This test uses a geometry file that resembles a regular mesh.
-
-
+# This test uses a geometry file with cells that match a regular mesh. Each cell
+# in the geometry corresponds to 12 tetrahedra in the unstructured mesh file.
 @pytest.fixture
 def model():
     openmc.reset_auto_ids()
@@ -30,16 +28,13 @@ def model():
     materials.append(water_mat)
 
     ### Geometry ###
-    # This test uses a geometry file that resembles a regular mesh.
-    # 12 tets are used to match each voxel in the geometry.
-
     # create a regular mesh that matches the superimposed mesh
     regular_mesh = openmc.RegularMesh(mesh_id=10)
     regular_mesh.lower_left = (-10, -10, -10)
     regular_mesh.dimension = (10, 10, 10)
     regular_mesh.width = (2, 2, 2)
 
-    root_cell, cells = regular_mesh.build_cells()
+    root_cell, _ = regular_mesh.build_cells()
 
     geometry = openmc.Geometry(root=[root_cell])
 
@@ -59,7 +54,8 @@ def model():
     # subtract one to account for root cell
     n_cells = len(geometry.get_all_cells()) - 1
 
-    # set source weights according to test case
+    # set source weights manually so the C++ that checks the
+    # size of the array is executed
     vol_norm = False
     strengths = np.zeros(n_cells*TETS_PER_VOXEL)
     # set non-zero strengths only for the tets corresponding to the
@@ -77,18 +73,29 @@ def model():
                               materials=materials,
                               settings=settings)
 
+
 test_cases = []
 for i, lib, in enumerate(['libmesh', 'moab']):
     test_cases.append({'library' : lib,
                        'inputs_true' : 'inputs_true{}.dat'.format(i)})
 
-def ids(params):
-    return params['library']
-
-@pytest.mark.parametrize("test_cases", test_cases, ids=ids)
+@pytest.mark.parametrize("test_cases", test_cases, ids=lambda p: p['library'])
 def test_unstructured_mesh_sampling(model, test_cases):
 
     model.settings.source[0].space.mesh.libaray = test_cases['library']
 
     harness = PyAPITestHarness('statepoint.2.h5', model, test_cases['inputs_true'])
-    harness.main()
\ No newline at end of file
+    harness.main()
+
+
+def test_strengths_size_failure(request, model):
+    mesh_source = model.settings.source[0]
+
+    # make sure that an incorrrectly sized strengths array causes a failure
+    mesh_source.space.strengths = mesh_source.space.strengths[:-1]
+
+    mesh_filename = Path(request.fspath).parent / mesh_source.space.mesh.filename
+
+    with pytest.raises(RuntimeError, match=r'strengths array'), cdtemp([mesh_filename]):
+        model.export_to_xml()
+        openmc.run()
diff --git a/tests/unit_tests/test_source_mesh.py b/tests/unit_tests/test_source_mesh.py
index ffc7d73b4..6549734e8 100644
--- a/tests/unit_tests/test_source_mesh.py
+++ b/tests/unit_tests/test_source_mesh.py
@@ -13,6 +13,8 @@ from subprocess import call
 
 TETS_PER_VOXEL = 12
 
+# This test uses a geometry file with cells that match a regular mesh. Each cell
+# in the geometry corresponds to 12 tetrahedra in the unstructured mesh file.
 @pytest.fixture
 def model():
     openmc.reset_auto_ids()
@@ -36,7 +38,7 @@ def model():
     regular_mesh.dimension = (10, 10, 10)
     regular_mesh.width = (2, 2, 2)
 
-    root_cell, cells = regular_mesh.build_cells()
+    root_cell, _ = regular_mesh.build_cells()
 
     geometry = openmc.Geometry(root=[root_cell])
 
@@ -142,3 +144,4 @@ def test_unstructured_mesh_sampling(model, request, test_cases):
         diff = np.abs(mean - exp_vals)
         assert((diff < 2*std_dev).sum() / diff[:10].size >= 0.95)
         assert((diff < 6*std_dev).sum() / diff.size >= 0.97)
+

From 60a2a0e1f80a6438e0cbda436effdf9174d4fafc Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Tue, 27 Dec 2022 12:21:27 -0600
Subject: [PATCH 1453/2654] Adding clarity to error message re: improperly
 sized strengths array

---
 src/distribution_spatial.cpp | 10 ++++++----
 1 file changed, 6 insertions(+), 4 deletions(-)

diff --git a/src/distribution_spatial.cpp b/src/distribution_spatial.cpp
index 7418b483a..89fef6155 100644
--- a/src/distribution_spatial.cpp
+++ b/src/distribution_spatial.cpp
@@ -204,7 +204,6 @@ MeshSpatial::MeshSpatial(pugi::xml_node node)
   mesh_CDF_.resize(n_bins+1);
   mesh_CDF_[0] = {0.0};
   total_strength_ = 0.0;
-  mesh_strengths_.resize(n_bins);
 
   // Create cdfs for sampling for an element over a mesh
   // Volume scheme is weighted by the volume of each tet
@@ -212,10 +211,13 @@ MeshSpatial::MeshSpatial(pugi::xml_node node)
   mesh_strengths_ = std::vector<double>(n_bins, 1.0);
   if (check_for_node(node, "strengths")) {
       strengths = get_node_array<double>(node, "strengths");
-      if (strengths.size() != mesh_strengths_.size()){
-        fatal_error("Number of entries in the strength matrix does not match the number of mesh entities");
+      if (strengths.size() != n_bins) {
+        fatal_error(
+          fmt::format("Number of entries in the source strengths array {} does "
+                      "not match the number of entities in mesh {} ({}).",
+            strengths.size(), mesh_id, n_bins));
       }
-      mesh_strengths_ = strengths;
+      mesh_strengths_ = std::move(strengths);
   }
 
   if (get_node_value_bool(node, "volume_normalized")) {

From 251d7f5436d9a85255ea95b85dd844a300bdc367 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Tue, 27 Dec 2022 12:40:16 -0600
Subject: [PATCH 1454/2654] Skip tests if libraries are not enabled

---
 .../unstructured_mesh/source_sampling/test.py               | 6 ++++++
 tests/unit_tests/test_source_mesh.py                        | 1 +
 2 files changed, 7 insertions(+)

diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/test.py b/tests/regression_tests/unstructured_mesh/source_sampling/test.py
index 83458e440..81f552698 100644
--- a/tests/regression_tests/unstructured_mesh/source_sampling/test.py
+++ b/tests/regression_tests/unstructured_mesh/source_sampling/test.py
@@ -81,6 +81,12 @@ for i, lib, in enumerate(['libmesh', 'moab']):
 
 @pytest.mark.parametrize("test_cases", test_cases, ids=lambda p: p['library'])
 def test_unstructured_mesh_sampling(model, test_cases):
+    # skip the test if the library is not enabled
+    if test_cases['library'] == 'moab' and not openmc.lib._dagmc_enabled():
+        pytest.skip("DAGMC (and MOAB) mesh not enabled in this build.")
+
+    if test_cases['library'] == 'libmesh' and not openmc.lib._libmesh_enabled():
+        pytest.skip("LibMesh is not enabled in this build.")
 
     model.settings.source[0].space.mesh.libaray = test_cases['library']
 
diff --git a/tests/unit_tests/test_source_mesh.py b/tests/unit_tests/test_source_mesh.py
index 6549734e8..f093d54d6 100644
--- a/tests/unit_tests/test_source_mesh.py
+++ b/tests/unit_tests/test_source_mesh.py
@@ -11,6 +11,7 @@ from tests import cdtemp
 from tests.regression_tests import config
 from subprocess import call
 
+
 TETS_PER_VOXEL = 12
 
 # This test uses a geometry file with cells that match a regular mesh. Each cell

From 3779c5cc4dc79816b0c9acf846b705b9efa2e046 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Tue, 27 Dec 2022 16:34:58 -0600
Subject: [PATCH 1455/2654] Skip test in absence of UM support

---
 .../unstructured_mesh/source_sampling/test.py              | 7 +++++++
 1 file changed, 7 insertions(+)

diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/test.py b/tests/regression_tests/unstructured_mesh/source_sampling/test.py
index 81f552698..0188af3f1 100644
--- a/tests/regression_tests/unstructured_mesh/source_sampling/test.py
+++ b/tests/regression_tests/unstructured_mesh/source_sampling/test.py
@@ -97,6 +97,13 @@ def test_unstructured_mesh_sampling(model, test_cases):
 def test_strengths_size_failure(request, model):
     mesh_source = model.settings.source[0]
 
+    # skip the test if unstructured mesh is not available
+    if not openmc.lib._libmesh_enabled():
+        if openmc.lib._dagmc_enabled():
+            mesh_source.space.mesh.library = 'moab'
+        else:
+            pytest.skip("Unstructured mesh support unavailable.")
+
     # make sure that an incorrrectly sized strengths array causes a failure
     mesh_source.space.strengths = mesh_source.space.strengths[:-1]
 

From c6f0d36bdb0ecdc91a13c7acbc630d4926972792 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Tue, 27 Dec 2022 23:06:07 -0600
Subject: [PATCH 1456/2654] Correcting attribute name

---
 .../unstructured_mesh/source_sampling/inputs_true1.dat          | 2 +-
 .../regression_tests/unstructured_mesh/source_sampling/test.py  | 2 +-
 2 files changed, 2 insertions(+), 2 deletions(-)

diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true1.dat b/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true1.dat
index dcb56d403..9e22063f1 100644
--- a/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true1.dat
+++ b/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true1.dat
@@ -1144,7 +1144,7 @@
       <parameters>15000000.0 1.0</parameters>
     </energy>
   </source>
-  <mesh id="1" library="libmesh" type="unstructured">
+  <mesh id="1" library="moab" type="unstructured">
     <filename>test_mesh_tets.e</filename>
   </mesh>
 </settings>
diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/test.py b/tests/regression_tests/unstructured_mesh/source_sampling/test.py
index 0188af3f1..e34bf3b75 100644
--- a/tests/regression_tests/unstructured_mesh/source_sampling/test.py
+++ b/tests/regression_tests/unstructured_mesh/source_sampling/test.py
@@ -88,7 +88,7 @@ def test_unstructured_mesh_sampling(model, test_cases):
     if test_cases['library'] == 'libmesh' and not openmc.lib._libmesh_enabled():
         pytest.skip("LibMesh is not enabled in this build.")
 
-    model.settings.source[0].space.mesh.libaray = test_cases['library']
+    model.settings.source[0].space.mesh.library = test_cases['library']
 
     harness = PyAPITestHarness('statepoint.2.h5', model, test_cases['inputs_true'])
     harness.main()

From 43549cf1f1edb971efba00c593444f71c6539d5c Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 29 Dec 2022 08:15:45 -0600
Subject: [PATCH 1457/2654] A couple small changes from original PR comments

---
 openmc/stats/multivariate.py | 5 ++---
 src/distribution_spatial.cpp | 4 ++--
 2 files changed, 4 insertions(+), 5 deletions(-)

diff --git a/openmc/stats/multivariate.py b/openmc/stats/multivariate.py
index bff8c301a..799cb9add 100644
--- a/openmc/stats/multivariate.py
+++ b/openmc/stats/multivariate.py
@@ -627,7 +627,7 @@ class MeshSpatial(Spatial):
     This distribution specifies a mesh to sample over, chooses whether it will
     be volume normalized, and can set the source strengths.
 
-    .. versionadded:: 0.13
+    .. versionadded:: 0.13.3
 
     Parameters
     ----------
@@ -651,8 +651,7 @@ class MeshSpatial(Spatial):
         Whether or not the strengths will be normalized by volume.
     """
 
-    def __init__(self,
-    mesh, strengths=None, volume_normalized=True):
+    def __init__(self, mesh, strengths=None, volume_normalized=True):
         self.mesh = mesh
         self.strengths = strengths
         self.volume_normalized = volume_normalized
diff --git a/src/distribution_spatial.cpp b/src/distribution_spatial.cpp
index 89fef6155..c1e000fcd 100644
--- a/src/distribution_spatial.cpp
+++ b/src/distribution_spatial.cpp
@@ -243,8 +243,8 @@ Position MeshSpatial::sample(uint64_t* seed) const
   // Create random variable for sampling element from mesh
   double eta = prn(seed);
   // Sample over the CDF defined in initialization above
-  int32_t elem_bin = lower_bound_index(mesh_CDF_.begin(), mesh_CDF_.end(), eta);
-  return mesh_ptr_->sample(seed, elem_bin);
+  int32_t elem_idx = lower_bound_index(mesh_CDF_.begin(), mesh_CDF_.end(), eta);
+  return mesh_ptr_->sample(seed, elem_idx);
 }
 
 //==============================================================================

From 580096d4233f757220558560dd013a4c017fc99f Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 29 Dec 2022 10:39:41 -0600
Subject: [PATCH 1458/2654] Removing MESHES import

---
 openmc/stats/multivariate.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/stats/multivariate.py b/openmc/stats/multivariate.py
index 799cb9add..b491a6843 100644
--- a/openmc/stats/multivariate.py
+++ b/openmc/stats/multivariate.py
@@ -9,7 +9,7 @@ import numpy as np
 import openmc.checkvalue as cv
 from .._xml import get_text
 from .univariate import Univariate, Uniform, PowerLaw
-from ..mesh import MeshBase, MESHES
+from ..mesh import MeshBase
 
 
 class UnitSphere(ABC):

From 8657123baceeb9ac91fe06d991c60db38950e10f Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 30 Dec 2022 07:21:11 -0600
Subject: [PATCH 1459/2654] Add some documentation for the new MeshSpatial
 class.

---
 docs/source/pythonapi/stats.rst     | 1 +
 docs/source/usersguide/settings.rst | 4 +++-
 2 files changed, 4 insertions(+), 1 deletion(-)

diff --git a/docs/source/pythonapi/stats.rst b/docs/source/pythonapi/stats.rst
index fb6383fc7..ffb4fcda2 100644
--- a/docs/source/pythonapi/stats.rst
+++ b/docs/source/pythonapi/stats.rst
@@ -57,6 +57,7 @@ Spatial Distributions
    openmc.stats.SphericalIndependent
    openmc.stats.Box
    openmc.stats.Point
+   openmc.stats.MeshSpatial
 
 .. autosummary::
    :toctree: generated
diff --git a/docs/source/usersguide/settings.rst b/docs/source/usersguide/settings.rst
index 336982ac6..19373d26e 100644
--- a/docs/source/usersguide/settings.rst
+++ b/docs/source/usersguide/settings.rst
@@ -187,7 +187,9 @@ The spatial distribution can be set equal to a sub-class of
 :class:`openmc.stats.CartesianIndependent`. To independently specify
 distributions using spherical or cylindrical coordinates, you can use
 :class:`openmc.stats.SphericalIndependent` or
-:class:`openmc.stats.CylindricalIndependent`, respectively.
+:class:`openmc.stats.CylindricalIndependent`, respectively. Meshes can also be
+used to represent spatial distributions with :class:`openmc.stats.MeshSpatial`
+by specifying a mesh and source strengths for each mesh element.
 
 The angular distribution can be set equal to a sub-class of
 :class:`openmc.stats.UnitSphere` such as :class:`openmc.stats.Isotropic`,

From 5e2cb6778da11b23579884915fce906d6f06f1c2 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 30 Dec 2022 22:01:11 -0600
Subject: [PATCH 1460/2654] Adding the mesh spatial option to the
 <source><spatial> IO description

---
 docs/source/io_formats/settings.rst | 5 ++++-
 1 file changed, 4 insertions(+), 1 deletion(-)

diff --git a/docs/source/io_formats/settings.rst b/docs/source/io_formats/settings.rst
index 71ca61d54..fc98b662e 100644
--- a/docs/source/io_formats/settings.rst
+++ b/docs/source/io_formats/settings.rst
@@ -493,7 +493,10 @@ attributes/sub-elements:
       independent distributions of r-, cos_theta-, and phi-coordinates where
       cos_theta is the cosine of the angle with respect to the z-axis, phi is
       the azimuthal angle, and the sphere is centered on the coordinate
-      (x0,y0,z0).
+      (x0,y0,z0). A "mesh" spatial distribution source sites from a mesh element
+      based on the relative strengths provided in the node. Source locations
+      within an element are sampled isotropically. If no strengths are provided,
+      the space within the mesh is uniformly sampled.
 
       *Default*: None
 

From 80dad0f2403176c8fe5a501ec7a29ef0963ddf03 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Sat, 31 Dec 2022 11:32:39 +0700
Subject: [PATCH 1461/2654] Small fix in plot_xs when S(a,b) tables are present

---
 openmc/plotter.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/plotter.py b/openmc/plotter.py
index 16760868e..e2d18d085 100644
--- a/openmc/plotter.py
+++ b/openmc/plotter.py
@@ -563,7 +563,7 @@ def _calculate_cexs_elem_mat(this, types, temperature=294.,
     for nuclide in nuclides.items():
         sabs[nuclide[0]] = None
     if isinstance(this, openmc.Material):
-        for sab_name in this._sab:
+        for sab_name, _ in this._sab:
             sab = openmc.data.ThermalScattering.from_hdf5(
                 library.get_by_material(sab_name, data_type='thermal')['path'])
             for nuc in sab.nuclides:

From 219a4b04da32e870301ceabbc0dea45852777c29 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Tue, 3 Jan 2023 10:35:44 -0600
Subject: [PATCH 1462/2654] Addressing comments from @NybergWISC

Co-authored-by: Matthew Nyberg <mnyberg@wisc.edu>
---
 openmc/stats/multivariate.py | 17 +++++++++--------
 1 file changed, 9 insertions(+), 8 deletions(-)

diff --git a/openmc/stats/multivariate.py b/openmc/stats/multivariate.py
index b491a6843..171ff4b40 100644
--- a/openmc/stats/multivariate.py
+++ b/openmc/stats/multivariate.py
@@ -270,8 +270,6 @@ class Spatial(ABC):
             return CylindricalIndependent.from_xml_element(elem)
         elif distribution == 'spherical':
             return SphericalIndependent.from_xml_element(elem)
-        elif distribution == 'mesh':
-            return MeshSpatial.from_xml_element(elem)
         elif distribution == 'box' or distribution == 'fission':
             return Box.from_xml_element(elem)
         elif distribution == 'point':
@@ -625,7 +623,7 @@ class MeshSpatial(Spatial):
     """Spatial distribution for a mesh.
 
     This distribution specifies a mesh to sample over, chooses whether it will
-    be volume normalized, and can set the source strengths.
+    be adjusted by element volume, and can set the source strengths.
 
     .. versionadded:: 0.13.3
 
@@ -635,10 +633,12 @@ class MeshSpatial(Spatial):
         The mesh instance used for sampling, mesh is written into settings.xml,
         mesh.id is written into the source distribution
     strengths : Iterable of Real, optional
-        A list of values which represent the weights of each element. If no source
-        strengths are specified, they will be equal for all mesh elements.
+        A list of values which represent the weights of each element. If no
+        source strengths are specified, they will be equal for all mesh
+        elements.
     volume_normalized : bool, optional
-        Whether or not the strengths will be normalized by volume. Default is True.
+        Whether or not the strengths will be multiplied by element volumes at
+        runtime. Default is True.
 
     Attributes
     ----------
@@ -648,7 +648,8 @@ class MeshSpatial(Spatial):
     strengths : Iterable of Real, optional
         A list of values which represent the weights of each element
     volume_normalized : bool
-        Whether or not the strengths will be normalized by volume.
+        Whether or not the strengths will be multiplied by element volumes at
+        runtime.
     """
 
     def __init__(self, mesh, strengths=None, volume_normalized=True):
@@ -672,7 +673,7 @@ class MeshSpatial(Spatial):
 
     @volume_normalized.setter
     def volume_normalized(self, volume_normalized):
-        cv.check_type('Normalize (multiply) strengths by volume', volume_normalized, bool)
+        cv.check_type('Multiply strengths by element volumes', volume_normalized, bool)
         self._volume_normalized = volume_normalized
 
     @property

From ac2ba93b3a573353a6e2fd051a1a35581f32c257 Mon Sep 17 00:00:00 2001
From: josh <josh@radiantnuclear.com>
Date: Wed, 4 Jan 2023 03:31:07 +0000
Subject: [PATCH 1463/2654] remove cell deepcopying for creating a fresh
 instance

---
 openmc/cell.py                | 11 ++++++++---
 tests/unit_tests/test_cell.py | 30 ++++++++++++++++++++++++++++++
 2 files changed, 38 insertions(+), 3 deletions(-)

diff --git a/openmc/cell.py b/openmc/cell.py
index 2aa538012..8169ca4d2 100644
--- a/openmc/cell.py
+++ b/openmc/cell.py
@@ -1,6 +1,5 @@
 from collections import OrderedDict
 from collections.abc import Iterable
-from copy import deepcopy
 from math import cos, sin, pi
 from numbers import Real
 from xml.etree import ElementTree as ET
@@ -519,8 +518,14 @@ class Cell(IDManagerMixin):
             paths = self._paths
             self._paths = None
 
-            clone = deepcopy(self)
-            clone.id = None
+            clone = openmc.Cell()
+            clone.name = self.name
+            clone.temperature = self.temperature
+            clone.volume = self.volume
+            if self.translation is not None:
+                clone.translation = self.translation
+            if self.rotation is not None:
+                clone.rotation = self.rotation
             clone._num_instances = None
 
             # Restore paths on original instance
diff --git a/tests/unit_tests/test_cell.py b/tests/unit_tests/test_cell.py
index 1c2e1b70e..eebe0f895 100644
--- a/tests/unit_tests/test_cell.py
+++ b/tests/unit_tests/test_cell.py
@@ -58,24 +58,54 @@ def test_clone():
     cyl = openmc.ZCylinder()
     c = openmc.Cell(fill=m, region=-cyl)
     c.temperature = 650.
+    c.translation = (1,2,3)
+    c.rotation = (4,5,6)
+    c.volume = 100
 
     c2 = c.clone()
     assert c2.id != c.id
     assert c2.fill != c.fill
     assert c2.region != c.region
     assert c2.temperature == c.temperature
+    assert all(c2.translation == c.translation)
+    assert all(c2.rotation == c.rotation)
+    assert c2.volume == c.volume
 
     c3 = c.clone(clone_materials=False)
     assert c3.id != c.id
     assert c3.fill == c.fill
     assert c3.region != c.region
     assert c3.temperature == c.temperature
+    assert all(c2.translation == c.translation)
+    assert all(c2.rotation == c.rotation)
 
     c4 = c.clone(clone_regions=False)
     assert c4.id != c.id
     assert c4.fill != c.fill
     assert c4.region == c.region
     assert c4.temperature == c.temperature
+    assert all(c2.translation == c.translation)
+    assert all(c2.rotation == c.rotation)
+
+    c5 = c.clone(clone_materials=False, clone_regions=False)
+    assert c5.id != c.id
+    assert c5.fill == c.fill
+    assert c5.region == c.region
+    assert c5.temperature == c.temperature
+    assert all(c2.translation == c.translation)
+    assert all(c2.rotation == c.rotation)
+
+    # Mutate the original to ensure the changes are not seen in the clones
+    c.fill = openmc.Material()
+    c.region = +openmc.ZCylinder()
+    c.translation = [-1,-2,-3]
+    c.rotation = [-4,-5,-6]
+    c.temperature = 1
+    assert c5.fill != c.fill
+    assert c5.region != c.region
+    assert c5.temperature != c.temperature
+    assert all(c2.translation != c.translation)
+    assert all(c2.rotation != c.rotation)
 
 
 def test_temperature(cell_with_lattice):

From affc62f09cdb66bd2fea9ffdf6b44099b1e0afde Mon Sep 17 00:00:00 2001
From: josh <josh@radiantnuclear.com>
Date: Wed, 4 Jan 2023 22:53:55 +0000
Subject: [PATCH 1464/2654] only reassign temps when not None

---
 openmc/cell.py | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/openmc/cell.py b/openmc/cell.py
index 8169ca4d2..cea362ed8 100644
--- a/openmc/cell.py
+++ b/openmc/cell.py
@@ -520,8 +520,9 @@ class Cell(IDManagerMixin):
 
             clone = openmc.Cell()
             clone.name = self.name
-            clone.temperature = self.temperature
             clone.volume = self.volume
+            if self.temperature is not None:
+                clone.temperature = self.temperature
             if self.translation is not None:
                 clone.translation = self.translation
             if self.rotation is not None:

From 60f9a4271172d61c2c36dd57ebbe8bc4a02fe587 Mon Sep 17 00:00:00 2001
From: josh <josh@radiantnuclear.com>
Date: Wed, 4 Jan 2023 22:54:26 +0000
Subject: [PATCH 1465/2654] simplify cell cloning test changes

---
 tests/unit_tests/test_cell.py | 32 ++++++++++++++------------------
 1 file changed, 14 insertions(+), 18 deletions(-)

diff --git a/tests/unit_tests/test_cell.py b/tests/unit_tests/test_cell.py
index eebe0f895..4185e9a44 100644
--- a/tests/unit_tests/test_cell.py
+++ b/tests/unit_tests/test_cell.py
@@ -57,43 +57,37 @@ def test_clone():
     m = openmc.Material()
     cyl = openmc.ZCylinder()
     c = openmc.Cell(fill=m, region=-cyl)
-    c.temperature = 650.
-    c.translation = (1,2,3)
-    c.rotation = (4,5,6)
-    c.volume = 100
 
+    # Check cloning with all optional params as the defaults
     c2 = c.clone()
     assert c2.id != c.id
     assert c2.fill != c.fill
     assert c2.region != c.region
-    assert c2.temperature == c.temperature
-    assert all(c2.translation == c.translation)
-    assert all(c2.rotation == c.rotation)
-    assert c2.volume == c.volume
 
     c3 = c.clone(clone_materials=False)
     assert c3.id != c.id
     assert c3.fill == c.fill
     assert c3.region != c.region
-    assert c3.temperature == c.temperature
-    assert all(c2.translation == c.translation)
-    assert all(c2.rotation == c.rotation)
 
     c4 = c.clone(clone_regions=False)
     assert c4.id != c.id
     assert c4.fill != c.fill
     assert c4.region == c.region
-    assert c4.temperature == c.temperature
-    assert all(c2.translation == c.translation)
-    assert all(c2.rotation == c.rotation)
+
+    # Add optional properties to the original cell to ensure they're cloned successfully
+    c.temperature = 650.
+    c.translation = [1,2,3]
+    c.rotation = [4,5,6]
+    c.volume = 100
 
     c5 = c.clone(clone_materials=False, clone_regions=False)
     assert c5.id != c.id
     assert c5.fill == c.fill
     assert c5.region == c.region
     assert c5.temperature == c.temperature
-    assert all(c2.translation == c.translation)
-    assert all(c2.rotation == c.rotation)
+    assert c5.volume == c.volume
+    assert all(c5.translation == c.translation)
+    assert all(c5.rotation == c.rotation)
 
     # Mutate the original to ensure the changes are not seen in the clones
     c.fill = openmc.Material()
@@ -101,11 +95,13 @@ def test_clone():
     c.translation = [-1,-2,-3]
     c.rotation = [-4,-5,-6]
     c.temperature = 1
+    c.volume = 1
     assert c5.fill != c.fill
     assert c5.region != c.region
     assert c5.temperature != c.temperature
-    assert all(c2.translation != c.translation)
-    assert all(c2.rotation != c.rotation)
+    assert c5.volume != c.volume
+    assert all(c5.translation != c.translation)
+    assert all(c5.rotation != c.rotation)
 
 
 def test_temperature(cell_with_lattice):

From 82429cbb19d4ba10aa771a5493a092cd35711b4f Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Thu, 5 Jan 2023 11:16:16 +0000
Subject: [PATCH 1466/2654] added test for sab xs appears in xs calc

---
 tests/unit_tests/test_plotter.py | 27 +++++++++++++++++++++++++++
 1 file changed, 27 insertions(+)
 create mode 100644 tests/unit_tests/test_plotter.py

diff --git a/tests/unit_tests/test_plotter.py b/tests/unit_tests/test_plotter.py
new file mode 100644
index 000000000..a3f1ff666
--- /dev/null
+++ b/tests/unit_tests/test_plotter.py
@@ -0,0 +1,27 @@
+import openmc
+import numpy as np
+
+
+def test_calculate_cexs_elem_mat_sab():
+    """Checks that sab cross sections are included in the
+    _calculate_cexs_elem_mat method and have the correct shape"""
+
+    mat_1 = openmc.Material()
+    mat_1.add_element("H", 4.0, "ao")
+    mat_1.add_element("O", 4.0, "ao")
+    mat_1.add_element("C", 4.0, "ao")
+
+    mat_1.add_s_alpha_beta("c_C6H6")
+    mat_1.set_density("g/cm3", 0.865)
+
+    energy_grid, data = openmc.plotter._calculate_cexs_elem_mat(
+        mat_1,
+        ["inelastic"],
+        sab_name="c_C6H6",
+    )
+
+    assert isinstance(energy_grid, np.ndarray)
+    assert isinstance(data, np.ndarray)
+    assert len(energy_grid) > 1
+    assert len(data) == 1
+    assert len(data[0]) == len(energy_grid)

From 9fac1bb4d25d7399d7c942e8605c7dc01cd4824a Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 5 Jan 2023 12:13:55 -0600
Subject: [PATCH 1467/2654] Updating note on photon transport limitations

---
 docs/source/usersguide/settings.rst | 1 -
 1 file changed, 1 deletion(-)

diff --git a/docs/source/usersguide/settings.rst b/docs/source/usersguide/settings.rst
index 336982ac6..760a08e90 100644
--- a/docs/source/usersguide/settings.rst
+++ b/docs/source/usersguide/settings.rst
@@ -474,7 +474,6 @@ selected::
    Some features related to photon transport are not currently implemented,
    including:
 
-     * Tallying photon energy deposition.
      * Generating a photon source from a neutron calculation that can be used
        for a later fixed source photon calculation.
      * Photoneutron reactions.

From 9615b9f5da9a1bccfd0a693f74c9c0437ec1329a Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 5 Jan 2023 16:04:33 -0600
Subject: [PATCH 1468/2654] Adding tests for tally triggers.

---
 tests/unit_tests/test_triggers.py | 75 +++++++++++++++++++++++++++++++
 1 file changed, 75 insertions(+)
 create mode 100644 tests/unit_tests/test_triggers.py

diff --git a/tests/unit_tests/test_triggers.py b/tests/unit_tests/test_triggers.py
new file mode 100644
index 000000000..4fe6e044a
--- /dev/null
+++ b/tests/unit_tests/test_triggers.py
@@ -0,0 +1,75 @@
+
+import openmc
+
+def test_tally_trigger(run_in_tmpdir):
+    pincell = openmc.examples.pwr_pin_cell()
+
+    # create a tally filter on the materials
+    mat_filter = openmc.MaterialFilter(pincell.materials)
+
+    # create a tally with triggers applied
+    tally = openmc.Tally()
+    tally.filters = [mat_filter]
+    tally.scores = ['scatter']
+
+    trigger = openmc.Trigger('rel_err', 0.05)
+    trigger.scores = ['scatter']
+
+    tally.triggers = [trigger]
+
+    pincell.tallies = [tally]
+
+    pincell.settings.trigger_active = True
+    pincell.settings.trigger_max_batches = 100
+    pincell.settings.trigger_batch_interval = 5
+
+    sp_file = pincell.run()
+    with openmc.StatePoint(sp_file) as sp:
+        expected_realizations = sp.n_realizations
+
+    # adding other scores to the tally should not change the
+    # number of batches required to satisfy the trigger
+    tally.scores = ['total', 'absorption', 'scatter']
+
+    sp_file = pincell.run()
+
+    with openmc.StatePoint(sp_file) as sp:
+        realizations = sp.n_realizations
+
+    assert realizations == expected_realizations
+
+
+def test_tally_trigger_null_score(run_in_tmpdir):
+    pincell = openmc.examples.pwr_pin_cell()
+
+     # create a tally filter on the materials
+    mat_filter = openmc.MaterialFilter(pincell.materials)
+
+    # apply a tally with a score that be tallied in this model
+    tally = openmc.Tally()
+    tally.filters = [mat_filter]
+    tally.scores = ['pair-production']
+
+    trigger = openmc.Trigger('rel_err', 0.05)
+    trigger.scores = ['pair-production']
+
+    tally.triggers = [trigger]
+
+    pincell.tallies = [tally]
+
+    pincell.settings.trigger_active = True
+    pincell.settings.trigger_max_batches = 50
+    pincell.settings.trigger_batch_interval = 5
+
+    sp_file = pincell.run()
+
+    with openmc.StatePoint(sp_file) as sp:
+        # verify that the tally mean is zero
+        tally_out = sp.get_tally(id=tally.id)
+        assert all(tally_out.mean == 0.0)
+
+        # we expect that this simulation will run
+        # up to the max allowed batches
+        total_batches = sp.n_realizations + sp.n_inactive
+        assert total_batches == pincell.settings.trigger_max_batches
+

From bfcbecdbaa002954c5a25edae670d108ea95369a Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 5 Jan 2023 16:25:15 -0600
Subject: [PATCH 1469/2654] Fixing tally triggers. Refs #2342 and #2343

---
 src/tallies/trigger.cpp | 87 ++++++++++++++++++++++++-----------------
 1 file changed, 51 insertions(+), 36 deletions(-)

diff --git a/src/tallies/trigger.cpp b/src/tallies/trigger.cpp
index 2c155980e..79af65879 100644
--- a/src/tallies/trigger.cpp
+++ b/src/tallies/trigger.cpp
@@ -37,6 +37,10 @@ std::pair<double, double> get_tally_uncertainty(
 
   int n = tally->n_realizations_;
   auto mean = sum / n;
+
+  // if the result has no contributions, return an invalid pair
+  if (mean == 0) return {-1 , -1};
+
   double std_dev = std::sqrt((sum_sq / n - mean * mean) / (n - 1));
   double rel_err = (mean != 0.) ? std_dev / std::abs(mean) : 0.;
 
@@ -68,42 +72,49 @@ void check_tally_triggers(double& ratio, int& tally_id, int& score)
       const auto& results = t.results_;
       for (auto filter_index = 0; filter_index < results.shape()[0];
            ++filter_index) {
-        for (auto score_index = 0; score_index < results.shape()[1];
-             ++score_index) {
-          // Compute the tally uncertainty metrics.
-          auto uncert_pair =
-            get_tally_uncertainty(i_tally, score_index, filter_index);
-          double std_dev = uncert_pair.first;
-          double rel_err = uncert_pair.second;
+        // Compute the tally uncertainty metrics.
+        auto uncert_pair =
+          get_tally_uncertainty(i_tally, trigger.score_index, filter_index);
 
-          // Pick out the relevant uncertainty metric for this trigger.
-          double uncertainty;
-          switch (trigger.metric) {
-          case TriggerMetric::variance:
-            uncertainty = std_dev * std_dev;
-            break;
-          case TriggerMetric::standard_deviation:
-            uncertainty = std_dev;
-            break;
-          case TriggerMetric::relative_error:
-            uncertainty = rel_err;
-            break;
-          case TriggerMetric::not_active:
-            UNREACHABLE();
-          }
+        // if there is a score without contributions, set ratio to inf and
+        // exit early
+        if (uncert_pair.first == -1) {
+          ratio = INFINITY;
+          score = t.scores_[trigger.score_index];
+          tally_id = t.id_;
+          return;
+        }
 
-          // Compute the uncertainty / threshold ratio.
-          double this_ratio = uncertainty / trigger.threshold;
-          if (trigger.metric == TriggerMetric::variance) {
-            this_ratio = std::sqrt(ratio);
-          }
+        double std_dev = uncert_pair.first;
+        double rel_err = uncert_pair.second;
 
-          // If this is the most uncertain value, set the output variables.
-          if (this_ratio > ratio) {
-            ratio = this_ratio;
-            score = t.scores_[trigger.score_index];
-            tally_id = t.id_;
-          }
+        // Pick out the relevant uncertainty metric for this trigger.
+        double uncertainty;
+        switch (trigger.metric) {
+        case TriggerMetric::variance:
+          uncertainty = std_dev * std_dev;
+          break;
+        case TriggerMetric::standard_deviation:
+          uncertainty = std_dev;
+          break;
+        case TriggerMetric::relative_error:
+          uncertainty = rel_err;
+          break;
+        case TriggerMetric::not_active:
+          UNREACHABLE();
+        }
+
+        // Compute the uncertainty / threshold ratio.
+        double this_ratio = uncertainty / trigger.threshold;
+        if (trigger.metric == TriggerMetric::variance) {
+          this_ratio = std::sqrt(ratio);
+        }
+
+        // If this is the most uncertain value, set the output variables.
+        if (this_ratio > ratio) {
+          ratio = this_ratio;
+          score = t.scores_[trigger.score_index];
+          tally_id = t.id_;
         }
       }
     }
@@ -181,9 +192,13 @@ void check_triggers()
                       "eigenvalue",
       keff_ratio);
   } else {
-    msg = fmt::format(
-      "Triggers unsatisfied, max unc./thresh. is {} for {} in tally {}",
-      tally_ratio, reaction_name(score), tally_id);
+    if (tally_ratio == INFINITY) {
+      msg = fmt::format("Triggers unsatisfied, no result tallied for score {} in tally {}", reaction_name(score), tally_id);
+    } else{
+      msg = fmt::format(
+        "Triggers unsatisfied, max unc./thresh. is {} for {} in tally {}",
+        tally_ratio, reaction_name(score), tally_id);
+    }
   }
   write_message(msg, 7);
 

From 62af77310897b6de1ef43906a781da0c9fcfe15f Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Mon, 9 Jan 2023 18:16:45 +0700
Subject: [PATCH 1470/2654] Refactor NCrystal interface code to
 ncrystal_interface.h/cpp

---
 CMakeLists.txt                      |   1 +
 include/openmc/material.h           |  25 ++-----
 include/openmc/ncrystal_interface.h |  91 +++++++++++++++++++++++
 include/openmc/physics.h            |  28 +-------
 include/openmc/settings.h           |   8 +--
 src/material.cpp                    |  39 +++-------
 src/ncrystal_interface.cpp          | 108 ++++++++++++++++++++++++++++
 src/physics.cpp                     |  30 ++------
 src/settings.cpp                    |  12 +---
 9 files changed, 229 insertions(+), 113 deletions(-)
 create mode 100644 include/openmc/ncrystal_interface.h
 create mode 100644 src/ncrystal_interface.cpp

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 1dee3f90e..4737ff47b 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -348,6 +348,7 @@ list(APPEND libopenmc_SOURCES
   src/message_passing.cpp
   src/mgxs.cpp
   src/mgxs_interface.cpp
+  src/ncrystal_interface.cpp
   src/nuclide.cpp
   src/output.cpp
   src/particle.cpp
diff --git a/include/openmc/material.h b/include/openmc/material.h
index 5326ad6de..8db9bb628 100644
--- a/include/openmc/material.h
+++ b/include/openmc/material.h
@@ -12,13 +12,10 @@
 #include "openmc/bremsstrahlung.h"
 #include "openmc/constants.h"
 #include "openmc/memory.h" // for unique_ptr
+#include "openmc/ncrystal_interface.h"
 #include "openmc/particle.h"
 #include "openmc/vector.h"
 
-#ifdef NCRYSTAL
-#include "NCrystal/NCrystal.hh"
-#endif
-
 namespace openmc {
 
 //==============================================================================
@@ -155,25 +152,17 @@ public:
   //! \return Temperature in [K]
   double temperature() const;
 
-#ifdef NCRYSTAL
   //! Get pointer to NCrystal material object
   //! \return Pointer to NCrystal material object
-  std::shared_ptr<const NCrystal::ProcImpl::Process> ncrystal_mat() const
-  {
-    return ncrystal_mat_;
-  };
-#endif
+  const NCrystalMat& ncrystal_mat() const { return ncrystal_mat_; };
 
   //----------------------------------------------------------------------------
   // Data
-  int32_t id_ {C_NONE}; //!< Unique ID
-  std::string name_;    //!< Name of material
-  vector<int> nuclide_; //!< Indices in nuclides vector
-  vector<int> element_; //!< Indices in elements vector
-#ifdef NCRYSTAL
-  std::string ncrystal_cfg_; //!< NCrystal configuration string
-  std::shared_ptr<const NCrystal::ProcImpl::Process> ncrystal_mat_;
-#endif
+  int32_t id_ {C_NONE};                 //!< Unique ID
+  std::string name_;                    //!< Name of material
+  vector<int> nuclide_;                 //!< Indices in nuclides vector
+  vector<int> element_;                 //!< Indices in elements vector
+  NCrystalMat ncrystal_mat_;            //!< NCrystal material object
   xt::xtensor<double, 1> atom_density_; //!< Nuclide atom density in [atom/b-cm]
   double density_;                      //!< Total atom density in [atom/b-cm]
   double density_gpcc_;                 //!< Total atom density in [g/cm^3]
diff --git a/include/openmc/ncrystal_interface.h b/include/openmc/ncrystal_interface.h
new file mode 100644
index 000000000..36038d50c
--- /dev/null
+++ b/include/openmc/ncrystal_interface.h
@@ -0,0 +1,91 @@
+#ifndef OPENMC_NCRYSTAL_INTERFACE_H
+#define OPENMC_NCRYSTAL_INTERFACE_H
+
+#ifdef NCRYSTAL
+#include "NCrystal/NCRNG.hh"
+#include "NCrystal/NCrystal.hh"
+#endif
+
+#include "openmc/particle.h"
+
+#include <cstdint> // for uint64_t
+#include <limits>  // for numeric_limits
+#include <string>
+
+namespace openmc {
+
+//==============================================================================
+// Constants
+//==============================================================================
+
+extern "C" const bool NCRYSTAL_ENABLED;
+
+//==============================================================================
+// Wrapper class an NCrystal material
+//==============================================================================
+
+class NCrystalMat {
+public:
+  //----------------------------------------------------------------------------
+  // Constructors
+  NCrystalMat() = default;
+  explicit NCrystalMat(const std::string& cfg);
+
+  //----------------------------------------------------------------------------
+  // Methods
+
+#ifdef NCRYSTAL
+  //! Return configuration string
+  std::string cfg() const;
+
+  //! Get cross section from NCrystal material
+  //
+  //! \param[in] p  Particle object
+  //! \return  Cross section in [b]
+  double xs(const Particle& p) const;
+
+  // Process scattering event
+  //
+  //! \param[in] p  Particle object
+  void scatter(Particle& p) const;
+
+  //! Whether the object holds a valid NCrystal material
+  operator bool() const;
+#else
+
+  //----------------------------------------------------------------------------
+  // Trivial methods when compiling without NCRYSTAL
+  std::string cfg() const
+  {
+    return "";
+  }
+  double xs(const Particle& p) const
+  {
+    return -1.0;
+  }
+  void scatter(Particle& p) const {}
+  operator bool() const
+  {
+    return false;
+  }
+#endif
+
+private:
+  //----------------------------------------------------------------------------
+  // Data members (only present when compiling with NCrystal support)
+#ifdef NCRYSTAL
+  std::string cfg_; //!< NCrystal configuration string
+  std::shared_ptr<const NCrystal::ProcImpl::Process>
+    ptr_; //!< Pointer to NCrystal material object
+#endif
+};
+
+//==============================================================================
+// Functions
+//==============================================================================
+
+void ncrystal_update_micro(double xs, NuclideMicroXS& micro);
+
+} // namespace openmc
+
+#endif // OPENMC_NCRYSTAL_INTERFACE_H
diff --git a/include/openmc/physics.h b/include/openmc/physics.h
index 806297c4e..382f0f0dd 100644
--- a/include/openmc/physics.h
+++ b/include/openmc/physics.h
@@ -8,10 +8,6 @@
 #include "openmc/reaction.h"
 #include "openmc/vector.h"
 
-#ifdef NCRYSTAL
-#include "NCrystal/NCRNG.hh"
-#endif
-
 namespace openmc {
 
 //==============================================================================
@@ -100,31 +96,11 @@ void inelastic_scatter(const Nuclide& nuc, const Reaction& rx, Particle& p);
 
 void sample_secondary_photons(Particle& p, int i_nuclide);
 
-//！Split or Roulette particles based their weight and the lower weight window
-// bound.
+// ！Split or Roulette particles based their weight and the lower weight window
+//  bound.
 //! \param[in] p, particle to be split or rouletted with the weight window.
 void split_particle(Particle& p);
 
-#ifdef NCRYSTAL
-//==============================================================================
-// NCrystal wrapper class for the OpenMC random number generator
-//==============================================================================
-
-class NCrystalRNGWrapper : public NCrystal::RNGStream {
-public:
-  constexpr NCrystalRNGWrapper(uint64_t* seed) noexcept : openmc_seed_(seed) {}
-
-protected:
-  double actualGenerate() override
-  {
-    return std::max<double>(
-      std::numeric_limits<double>::min(), prn(openmc_seed_));
-  }
-private:
-  uint64_t* openmc_seed_;
-};
-#endif
-
 } // namespace openmc
 
 #endif // OPENMC_PHYSICS_H
diff --git a/include/openmc/settings.h b/include/openmc/settings.h
index fb5f8387a..9cd430deb 100644
--- a/include/openmc/settings.h
+++ b/include/openmc/settings.h
@@ -20,8 +20,6 @@ namespace openmc {
 // Global variable declarations
 //==============================================================================
 
-extern "C" const bool NCRYSTAL_ENABLED;
-
 namespace settings {
 
 // Boolean flags
@@ -93,6 +91,8 @@ extern int n_log_bins;        //!< number of bins for logarithmic energy grid
 extern int n_batches;         //!< number of (inactive+active) batches
 extern int n_max_batches;     //!< Maximum number of batches
 extern int max_tracks; //!< Maximum number of particle tracks written to file
+extern double
+  ncrystal_max_energy; //!< Energy in eV to switch between NCrystal and ENDF
 extern ResScatMethod res_scat_method; //!< resonance upscattering method
 extern double res_scat_energy_min; //!< Min energy in [eV] for res. upscattering
 extern double res_scat_energy_max; //!< Max energy in [eV] for res. upscattering
@@ -124,10 +124,6 @@ extern int trigger_batch_interval; //!< Batch interval for triggers
 extern "C" int verbosity;          //!< How verbose to make output
 extern double weight_cutoff;       //!< Weight cutoff for Russian roulette
 extern double weight_survive;      //!< Survival weight after Russian roulette
-#ifdef NCRYSTAL
-extern double
-  ncrystal_max_energy; //!< Energy in eV to switch between NCrystal and ENDF
-#endif
 } // namespace settings
 
 //==============================================================================
diff --git a/src/material.cpp b/src/material.cpp
index 25014c448..2d55d6a04 100644
--- a/src/material.cpp
+++ b/src/material.cpp
@@ -60,13 +60,12 @@ Material::Material(pugi::xml_node node)
     name_ = get_node_value(node, "name");
   }
 
-#ifdef NCRYSTAL
   if (check_for_node(node, "cfg")) {
-    ncrystal_cfg_ = get_node_value(node, "cfg");
-    write_message(5, "NCrystal config string for material #{}: '{}'", this->id(), ncrystal_cfg_);
-    ncrystal_mat_ = NCrystal::FactImpl::createScatter(ncrystal_cfg_);
+    auto cfg = get_node_value(node, "cfg");
+    write_message(
+      5, "NCrystal config string for material #{}: '{}'", this->id(), cfg);
+    ncrystal_mat_ = NCrystalMat(cfg);
   }
-#endif
 
   if (check_for_node(node, "depletable")) {
     depletable_ = get_node_value_bool(node, "depletable");
@@ -800,19 +799,11 @@ void Material::calculate_neutron_xs(Particle& p) const
   // Initialize position in i_sab_nuclides
   int j = 0;
 
-#ifdef NCRYSTAL
-  double ncrystal_xs = -1;
-
+  // Calculate NCrystal cross section
+  double ncrystal_xs = -1.0;
   if (ncrystal_mat_ && p.E() < settings::ncrystal_max_energy) {
-    // Calculate scattering XS per atom with NCrystal, only once per material
-    NCrystal::CachePtr dummy_cache;
-    auto nc_energy = NCrystal::NeutronEnergy {p.E()};
-    ncrystal_xs =
-      ncrystal_mat_
-        ->crossSection(dummy_cache, nc_energy, {p.u().x, p.u().y, p.u().z})
-        .get();
+    ncrystal_xs = ncrystal_mat_.xs(p);
   }
-#endif
 
   // Add contribution from each nuclide in material
   for (int i = 0; i < nuclide_.size(); ++i) {
@@ -852,26 +843,16 @@ void Material::calculate_neutron_xs(Particle& p) const
     int i_nuclide = nuclide_[i];
 
     // Calculate microscopic cross section for this nuclide
-#ifdef NCRYSTAL
     auto& micro {p.neutron_xs(i_nuclide)};
-#else
-    const auto& micro {p.neutron_xs(i_nuclide)};
-#endif
     if (p.E() != micro.last_E || p.sqrtkT() != micro.last_sqrtkT ||
         i_sab != micro.index_sab || sab_frac != micro.sab_frac) {
       data::nuclides[i_nuclide]->calculate_xs(i_sab, i_grid, sab_frac, p);
-#ifdef NCRYSTAL
+
+      // If NCrystal is being used, update micro cross section cache
       if (ncrystal_xs >= 0.0) {
-        if (micro.thermal > 0 || micro.thermal_elastic > 0) {
-          fatal_error("S(a,b) treatment and NCrystal are not compatible.");
-        }
         data::nuclides[i_nuclide]->calculate_elastic_xs(p);
-        // remove free atom cross section
-        // and replace it by scattering cross section per atom from NCrystal
-        micro.total = micro.total - micro.elastic + ncrystal_xs;
-        micro.elastic = ncrystal_xs;
+        ncrystal_update_micro(ncrystal_xs, micro);
       }
-#endif
     }
 
     // ======================================================================
diff --git a/src/ncrystal_interface.cpp b/src/ncrystal_interface.cpp
new file mode 100644
index 000000000..b39f62d90
--- /dev/null
+++ b/src/ncrystal_interface.cpp
@@ -0,0 +1,108 @@
+#include "openmc/ncrystal_interface.h"
+
+#include "openmc/error.h"
+#include "openmc/material.h"
+#include "openmc/random_lcg.h"
+
+namespace openmc {
+
+//==============================================================================
+// Constants
+//==============================================================================
+
+#ifdef NCRYSTAL
+const bool NCRYSTAL_ENABLED = true;
+#else
+const bool NCRYSTAL_ENABLED = false;
+#endif
+
+//==============================================================================
+// NCrystal wrapper class for the OpenMC random number generator
+//==============================================================================
+
+#ifdef NCRYSTAL
+class NCrystalRNGWrapper : public NCrystal::RNGStream {
+public:
+  constexpr NCrystalRNGWrapper(uint64_t* seed) noexcept : openmc_seed_(seed) {}
+
+protected:
+  double actualGenerate() override
+  {
+    return std::max<double>(
+      std::numeric_limits<double>::min(), prn(openmc_seed_));
+  }
+
+private:
+  uint64_t* openmc_seed_;
+};
+#endif
+
+//==============================================================================
+// NCrystal implementation
+//==============================================================================
+
+NCrystalMat::NCrystalMat(const std::string& cfg)
+{
+#ifdef NCRYSTAL
+  cfg_ = cfg;
+  ptr_ = NCrystal::FactImpl::createScatter(cfg);
+#else
+  fatal_error("Your build of OpenMC does not support NCrystal materials.");
+#endif
+}
+
+#ifdef NCRYSTAL
+std::string NCrystalMat::cfg() const
+{
+  return cfg_;
+}
+
+double NCrystalMat::xs(const Particle& p) const
+{
+  // Calculate scattering XS per atom with NCrystal, only once per material
+  NCrystal::CachePtr dummy_cache;
+  auto nc_energy = NCrystal::NeutronEnergy {p.E()};
+  return ptr_->crossSection(dummy_cache, nc_energy, {p.u().x, p.u().y, p.u().z})
+    .get();
+}
+
+void NCrystalMat::scatter(Particle& p) const
+{
+  NCrystalRNGWrapper rng(p.current_seed()); // Initialize RNG
+  // create a cache pointer for multi thread physics
+  NCrystal::CachePtr dummy_cache;
+  auto nc_energy = NCrystal::NeutronEnergy {p.E()};
+  auto outcome = ptr_->sampleScatter(
+    dummy_cache, rng, nc_energy, {p.u().x, p.u().y, p.u().z});
+
+  // Modify attributes of particle
+  p.E() = outcome.ekin.get();
+  Direction u_old {p.u()};
+  p.u() =
+    Direction(outcome.direction[0], outcome.direction[1], outcome.direction[2]);
+  p.mu() = u_old.dot(p.u());
+  p.event_mt() = ELASTIC;
+}
+
+NCrystalMat::operator bool() const
+{
+  return ptr_.get();
+}
+#endif
+
+//==============================================================================
+// Functions
+//==============================================================================
+
+void ncrystal_update_micro(double xs, NuclideMicroXS& micro)
+{
+  if (micro.thermal > 0 || micro.thermal_elastic > 0) {
+    fatal_error("S(a,b) treatment and NCrystal are not compatible.");
+  }
+  // remove free atom cross section
+  // and replace it by scattering cross section per atom from NCrystal
+  micro.total = micro.total - micro.elastic + xs;
+  micro.elastic = xs;
+}
+
+} // namespace openmc
diff --git a/src/physics.cpp b/src/physics.cpp
index c1ef282f7..46bf37aa9 100644
--- a/src/physics.cpp
+++ b/src/physics.cpp
@@ -10,6 +10,7 @@
 #include "openmc/material.h"
 #include "openmc/math_functions.h"
 #include "openmc/message_passing.h"
+#include "openmc/ncrystal_interface.h"
 #include "openmc/nuclide.h"
 #include "openmc/photon.h"
 #include "openmc/physics_common.h"
@@ -138,32 +139,15 @@ void sample_neutron_reaction(Particle& p)
   if (!p.alive())
     return;
 
-    // Sample a scattering reaction and determine the secondary energy of the
-    // exiting neutron
-
-#ifdef NCRYSTAL
-  if (model::materials[p.material()]->ncrystal_mat() &&
-      p.E() < settings::ncrystal_max_energy) {
-    NCrystalRNGWrapper rng(p.current_seed()); // Initialize RNG
-    // create a cache pointer for multi thread physics
-    NCrystal::CachePtr dummy_cache;
-    auto nc_energy = NCrystal::NeutronEnergy {p.E()};
-    auto outcome =
-      model::materials[p.material()]->ncrystal_mat()->sampleScatter(
-        dummy_cache, rng, nc_energy, {p.u().x, p.u().y, p.u().z});
-    p.E_last() = p.E();
-    p.E() = outcome.ekin.get();
-    Direction u_old {p.u()};
-    p.u() = Direction(
-      outcome.direction[0], outcome.direction[1], outcome.direction[2]);
-    p.mu() = u_old.dot(p.u());
-    p.event_mt() = ELASTIC;
+  // Sample a scattering reaction and determine the secondary energy of the
+  // exiting neutron
+  const auto& ncrystal_mat = model::materials[p.material()]->ncrystal_mat();
+  if (ncrystal_mat && p.E() < settings::ncrystal_max_energy) {
+    ncrystal_mat.scatter(p);
   } else {
     scatter(p, i_nuclide);
   }
-#else
-  scatter(p, i_nuclide);
-#endif
+
   // Advance URR seed stream 'N' times after energy changes
   if (p.E() != p.E_last()) {
     p.stream() = STREAM_URR_PTABLE;
diff --git a/src/settings.cpp b/src/settings.cpp
index 6f6e4e090..9174d4114 100644
--- a/src/settings.cpp
+++ b/src/settings.cpp
@@ -37,13 +37,6 @@ namespace openmc {
 // Global variables
 //==============================================================================
 
-#ifdef NCRYSTAL
-const bool NCRYSTAL_ENABLED = true;
-#else
-const bool NCRYSTAL_ENABLED = false;
-#endif
-
-
 namespace settings {
 
 // Default values for boolean flags
@@ -106,6 +99,7 @@ int n_batches;
 int n_max_batches;
 int max_splits {1000};
 int max_tracks {1000};
+double ncrystal_max_energy {5.0};
 ResScatMethod res_scat_method {ResScatMethod::rvs};
 double res_scat_energy_min {0.01};
 double res_scat_energy_max {1000.0};
@@ -128,10 +122,6 @@ int verbosity {7};
 double weight_cutoff {0.25};
 double weight_survive {1.0};
 
-#ifdef NCRYSTAL
-double ncrystal_max_energy {5.0};
-#endif
-
 } // namespace settings
 
 //==============================================================================

From 4eda693133a3a0f6c55eea084ca7ddeb3ab0769d Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 10 Jan 2023 10:39:22 +0700
Subject: [PATCH 1471/2654] Style and spacing changes

---
 docs/source/methods/cross_sections.rst  | 27 ++++++++++++++-----------
 docs/source/usersguide/install.rst      | 11 +++++-----
 docs/source/usersguide/materials.rst    | 20 +++++++++---------
 include/openmc/physics.h                |  5 +++--
 tests/regression_tests/ncrystal/test.py | 16 +++++++++------
 5 files changed, 45 insertions(+), 34 deletions(-)

diff --git a/docs/source/methods/cross_sections.rst b/docs/source/methods/cross_sections.rst
index 0b87913e5..2cafa8691 100644
--- a/docs/source/methods/cross_sections.rst
+++ b/docs/source/methods/cross_sections.rst
@@ -182,19 +182,22 @@ been selected. There are three methods available:
 NCrystal materials
 ------------------
 
-As an alternative of the standard thermal scattering treatment using :math:`S(\alpha,\beta)`
-tables, OpenMC allows to create materials using NCrystal_. In addition to the regular thermal elastic,
-and thermal inelastic processes, NCrystal allows the generation of models for materials that 
-cannot currently included in ACE files such as oriented single crystals (see the `NCrystal paper`_),
-and further extend the physics `using plugins`_. Thermal scattering kernels are generated on
-the fly from dynamic and structural data, or loaded from :math:`S(\alpha,\beta)` tables converted
-from ENDF6 evaluations. These kernels are sampled in a direct way using a fast `rejection algorithm`_ 
-that does not require previous processing. A `large library`_ of materials is already included in
-the NCrystal distribution, and new materials can be easily defined from scratch in the `NCMAT format`_
-or `combining existing files`_.
+As an alternative of the standard thermal scattering treatment using
+:math:`S(\alpha,\beta)` tables, OpenMC allows to create materials using
+NCrystal_. In addition to the regular thermal elastic, and thermal inelastic
+processes, NCrystal allows the generation of models for materials that cannot
+currently included in ACE files such as oriented single crystals (see the
+`NCrystal paper`_), and further extend the physics `using plugins`_. Thermal
+scattering kernels are generated on the fly from dynamic and structural data, or
+loaded from :math:`S(\alpha,\beta)` tables converted from ENDF6 evaluations.
+These kernels are sampled in a direct way using a fast `rejection algorithm`_
+that does not require previous processing. A `large library`_ of materials is
+already included in the NCrystal distribution, and new materials can be easily
+defined from scratch in the `NCMAT format`_ or `combining existing files`_.
 
-The compositions of the materials defined in NCrystal are passed on to OpenMC all other reactions 
-except for thermal neutron scattering are handled by continuous energy ACE libraries.
+The compositions of the materials defined in NCrystal are passed on to OpenMC
+all other reactions except for thermal neutron scattering are handled by
+continuous energy ACE libraries.
 
 ----------------
 Multi-Group Data
diff --git a/docs/source/usersguide/install.rst b/docs/source/usersguide/install.rst
index 9e5ba1ffd..537dda824 100644
--- a/docs/source/usersguide/install.rst
+++ b/docs/source/usersguide/install.rst
@@ -274,9 +274,10 @@ Prerequisites
     * NCrystal_ library for defining materials with enhanced thermal neutron transport
 
       Adding this option allows the creation of materials from NCrystal, which
-      replaces the scattering kernel treatment of ACE files with a modular, on-the-fly approach.
-      To use it `install <https://github.com/mctools/ncrystal/wiki/Get-NCrystal>`_ and 
-      `initialize <https://github.com/mctools/ncrystal/wiki/Using-NCrystal#setting-up>`_
+      replaces the scattering kernel treatment of ACE files with a modular,
+      on-the-fly approach. To use it `install
+      <https://github.com/mctools/ncrystal/wiki/Get-NCrystal>`_ and `initialize
+      <https://github.com/mctools/ncrystal/wiki/Using-NCrystal#setting-up>`_
       NCrystal and turn on the option in the CMake configuration step:
 
           cmake -DOPENMC_USE_NCRYSTAL=on ..
@@ -374,8 +375,8 @@ OPENMC_USE_DAGMC
   (Default: off)
 
 OPENMC_USE_NCRYSTAL
-  Turns on support for NCrystal materials. NCrystal must be 
-  `installed <https://github.com/mctools/ncrystal/wiki/Get-NCrystal>`_ and 
+  Turns on support for NCrystal materials. NCrystal must be
+  `installed <https://github.com/mctools/ncrystal/wiki/Get-NCrystal>`_ and
   `initialized <https://github.com/mctools/ncrystal/wiki/Using-NCrystal#setting-up>`_.
   (Default: off)
 
diff --git a/docs/source/usersguide/materials.rst b/docs/source/usersguide/materials.rst
index fbf9effd8..83af55805 100644
--- a/docs/source/usersguide/materials.rst
+++ b/docs/source/usersguide/materials.rst
@@ -105,12 +105,14 @@ you would need to add hydrogen and oxygen to a material and then assign the
 Adding NCrystal materials
 -------------------------
 
-Additional support for thermal scattering can be added by using NCrystal_.
-The :meth:`Material.from_ncrystal` class method generates a :class:`openmc.Material` object from
-an `NCrystal configuration string <https://github.com/mctools/ncrystal/wiki/Using-NCrystal#uniform-material-configuration-syntax>`_.
-Temperature, material composition, and density are passed from the configuration string
-and the `NCMAT file <https://github.com/mctools/ncrystal/wiki/NCMAT-format>`_
-that define the material, e.g.::
+Additional support for thermal scattering can be added by using NCrystal_. The
+:meth:`Material.from_ncrystal` class method generates a :class:`openmc.Material`
+object from an `NCrystal configuration string
+<https://github.com/mctools/ncrystal/wiki/Using-NCrystal#uniform-material-configuration-syntax>`_.
+Temperature, material composition, and density are passed from the configuration
+string and the `NCMAT file
+<https://github.com/mctools/ncrystal/wiki/NCMAT-format>`_ that define the
+material, e.g.::
 
    mat = openmc.Material.from_ncrystal('Al_sg225.ncmat;temp=300K')
 
@@ -125,12 +127,12 @@ defines a material containing polycrystalline alumnium,
 defines an oriented germanium single crystal with 40 arcsec mosaicity.
 
 NCrystal only handles low energy neutron interactions. Other interactions are
-provided by standard ACE files. NCrystal_ comes with a `predefined library 
+provided by standard ACE files. NCrystal_ comes with a `predefined library
 <https://github.com/mctools/ncrystal/wiki/Data-library>`_ but more materials can
 be added by creating NCMAT files or on-the-fly in the configuration string.
 
-.. warning:: Currently, NCrystal_ materials cannot be modified after they are created. 
-             Density, temperature and composition should be defined in the 
+.. warning:: Currently, NCrystal_ materials cannot be modified after they are created.
+             Density, temperature and composition should be defined in the
              configuration string or the NCMAT file.
 
 .. _NCrystal: https://github.com/mctools/ncrystal
diff --git a/include/openmc/physics.h b/include/openmc/physics.h
index 382f0f0dd..6e7327d38 100644
--- a/include/openmc/physics.h
+++ b/include/openmc/physics.h
@@ -96,8 +96,9 @@ void inelastic_scatter(const Nuclide& nuc, const Reaction& rx, Particle& p);
 
 void sample_secondary_photons(Particle& p, int i_nuclide);
 
-// ！Split or Roulette particles based their weight and the lower weight window
-//  bound.
+//! Split or Roulette particles based their weight and the lower weight window
+//! bound.
+//
 //! \param[in] p, particle to be split or rouletted with the weight window.
 void split_particle(Particle& p);
 
diff --git a/tests/regression_tests/ncrystal/test.py b/tests/regression_tests/ncrystal/test.py
index 2a789dac7..cb6421b03 100644
--- a/tests/regression_tests/ncrystal/test.py
+++ b/tests/regression_tests/ncrystal/test.py
@@ -1,3 +1,5 @@
+from math import pi
+
 import numpy as np
 import openmc
 import openmc.lib
@@ -9,6 +11,7 @@ pytestmark = pytest.mark.skipif(
     not openmc.lib._ncrystal_enabled(),
     reason="NCrystal materials are not enabled.")
 
+
 def pencil_beam_model(cfg, E0, N):
     """Return an openmc.Model() object for a monoenergetic pencil
      beam hitting a 1 mm sphere filled with the material defined by
@@ -24,7 +27,7 @@ def pencil_beam_model(cfg, E0, N):
     sample_sphere = openmc.Sphere(r=0.1)
     outer_sphere = openmc.Sphere(r=100, boundary_type="vacuum")
     cell1 = openmc.Cell(region=-sample_sphere, fill=m1)
-    cell2_region= +sample_sphere & -outer_sphere
+    cell2_region = +sample_sphere & -outer_sphere
     cell2 = openmc.Cell(region=cell2_region, fill=None)
     geometry = openmc.Geometry([cell1, cell2])
 
@@ -48,7 +51,7 @@ def pencil_beam_model(cfg, E0, N):
     tally1 = openmc.Tally(name="angular distribution")
     tally1.scores = ["current"]
     filter1 = openmc.SurfaceFilter(sample_sphere)
-    filter2 = openmc.PolarFilter(np.linspace(0, np.pi, 180+1))
+    filter2 = openmc.PolarFilter(np.linspace(0, pi, 180+1))
     filter3 = openmc.CellFromFilter(cell1)
     tally1.filters = [filter1, filter2, filter3]
     tallies = openmc.Tallies([tally1])
@@ -66,11 +69,12 @@ class NCrystalTest(PyAPITestHarness):
             df = tal.get_pandas_dataframe()
         return df.to_string()
 
+
 def test_ncrystal():
-    NParticles = 100000
-    T = 293.6 # K
-    E0 = 0.012 # eV
+    n_particles = 100000
+    T = 293.6  # K
+    E0 = 0.012  # eV
     cfg = 'Al_sg225.ncmat'
-    test = pencil_beam_model(cfg, E0, NParticles)
+    test = pencil_beam_model(cfg, E0, n_particles)
     harness = NCrystalTest('statepoint.10.h5', model=test)
     harness.main()

From c4227f7dc1b30879dd7492730e8dbb02b14006d5 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 10 Jan 2023 10:39:45 +0700
Subject: [PATCH 1472/2654] Change Material.from_ncrystal to accept kwargs

---
 openmc/material.py | 51 +++++++++++++++++++++++-----------------------
 1 file changed, 25 insertions(+), 26 deletions(-)

diff --git a/openmc/material.py b/openmc/material.py
index 68ec199c3..7844ec131 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -99,6 +99,10 @@ class Material(IDManagerMixin):
         [decay/sec].
 
         .. versionadded:: 0.13.2
+    ncrystal_cfg : str
+        NCrystal configuration string
+
+        .. versionadded:: 0.13.3
 
     """
 
@@ -141,7 +145,8 @@ class Material(IDManagerMixin):
 
         string += '{: <16}\n'.format('\tS(a,b) Tables')
 
-        string += '{: <16}=\t{}\n'.format('\tNCrystal conf', self._ncrystal_cfg)
+        if self._ncrystal_cfg:
+            string += '{: <16}=\t{}\n'.format('\tNCrystal conf', self._ncrystal_cfg)
 
         for sab in self._sab:
             string += '{: <16}=\t{}\n'.format('\tS(a,b)', sab)
@@ -222,6 +227,10 @@ class Material(IDManagerMixin):
     def volume(self):
         return self._volume
 
+    @property
+    def ncrystal_cfg(self):
+        return self._ncrystal_cfg
+
     @name.setter
     def name(self, name: Optional[str]):
         if name is not None:
@@ -335,9 +344,9 @@ class Material(IDManagerMixin):
         return material
 
     @classmethod
-    def from_ncrystal(cls, cfg, material_id=None, name=''):
+    def from_ncrystal(cls, cfg, **kwargs):
         """Create material from NCrystal configuration string.
-        
+
         Density, temperature, and material composition, and (ultimately) thermal
         neutron scattering will be automatically be provided by NCrystal based
         on this string. The name and material_id parameters are simply passed on
@@ -347,12 +356,8 @@ class Material(IDManagerMixin):
         ----------
         cfg : str
             NCrystal configuration string
-        material_id : int, optional
-            Unique identifier for the material. If not specified, an identifier will
-            automatically be assigned.
-        name : str, optional
-            Name of the material. If not specified, the name will be the empty
-            string.
+        **kwargs
+            Keyword arguments passed to :class:`openmc.Material`
 
         Returns
         -------
@@ -371,26 +376,20 @@ class Material(IDManagerMixin):
             #only get invoked in the unlikely case where a material is specified
             #by referring both to natural elements and specific isotopes of the
             #same element.
-            elem_name = openmc.data.ATOMIC_SYMBOL.get(Z)
-            if not elem_name:
-                raise ValueError( f'Element with Z={Z} is not known' )
+            elem_name = openmc.data.ATOMIC_SYMBOL[Z]
             return [
                 (int(iso_name[len(elem_name):]), abund)
                 for iso_name, abund in openmc.data.isotopes(elem_name)
             ]
 
-        flat_compos = nc_mat.getFlattenedComposition(preferNaturalElements = True,
-                                                      naturalAbundProvider=openmc_natabund)
+        flat_compos = nc_mat.getFlattenedComposition(
+            preferNaturalElements=True, naturalAbundProvider=openmc_natabund)
 
         # Create the Material
-        material = cls(material_id=material_id,
-                       name=name,
-                       temperature=nc_mat.getTemperature())
+        material = cls(temperature=nc_mat.getTemperature(), **kwargs)
 
         for Z, A_vals in flat_compos:
-            elemname = openmc.data.ATOMIC_SYMBOL.get(Z)
-            if not elemname:
-                raise ValueError(f'Element with Z={Z} is not known')
+            elemname = openmc.data.ATOMIC_SYMBOL[Z]
             for A, frac in A_vals:
                 if A:
                     material.add_nuclide(f'{elemname}{A}', frac)
@@ -1067,7 +1066,7 @@ class Material(IDManagerMixin):
             activity[nuclide] = inv_seconds * 1e24 * atoms_per_bcm * multiplier
 
         return activity if by_nuclide else sum(activity.values())
-    
+
     def get_decay_heat(self, units: str = 'W', by_nuclide: bool = False):
         """Returns the decay heat of the material or for each nuclide in the
         material in units of [W], [W/g] or [W/cm3].
@@ -1101,16 +1100,16 @@ class Material(IDManagerMixin):
             multiplier = 1
         elif units == 'W/g':
             multiplier = 1.0 / self.get_mass_density()
-        
-        decayheat = {} 
+
+        decayheat = {}
         for nuclide, atoms_per_bcm in self.get_nuclide_atom_densities().items():
             decay_erg = openmc.data.decay_energy(nuclide)
             inv_seconds = openmc.data.decay_constant(nuclide)
             decay_erg *= openmc.data.JOULE_PER_EV
             decayheat[nuclide] = inv_seconds * decay_erg * 1e24 * atoms_per_bcm * multiplier
 
-        return decayheat if by_nuclide else sum(decayheat.values()) 
-    
+        return decayheat if by_nuclide else sum(decayheat.values())
+
     def get_nuclide_atoms(self):
         """Return number of atoms of each nuclide in the material
 
@@ -1651,4 +1650,4 @@ class Materials(cv.CheckedList):
         tree = ET.parse(path)
         root = tree.getroot()
 
-        return cls.from_xml_element(root)
\ No newline at end of file
+        return cls.from_xml_element(root)

From e83ced88dc58d0a9fcf83f04390a5284b30d06b9 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 11 Jan 2023 01:17:53 +0700
Subject: [PATCH 1473/2654] Change ncrystal_max_energy to be a global constant

---
 include/openmc/ncrystal_interface.h | 3 +++
 include/openmc/settings.h           | 2 --
 src/material.cpp                    | 2 +-
 src/physics.cpp                     | 2 +-
 src/settings.cpp                    | 1 -
 5 files changed, 5 insertions(+), 5 deletions(-)

diff --git a/include/openmc/ncrystal_interface.h b/include/openmc/ncrystal_interface.h
index 36038d50c..5a3882df9 100644
--- a/include/openmc/ncrystal_interface.h
+++ b/include/openmc/ncrystal_interface.h
@@ -20,6 +20,9 @@ namespace openmc {
 
 extern "C" const bool NCRYSTAL_ENABLED;
 
+//! Energy in [eV] to switch between NCrystal and ENDF
+constexpr double NCRYSTAL_MAX_ENERGY {5.0};
+
 //==============================================================================
 // Wrapper class an NCrystal material
 //==============================================================================
diff --git a/include/openmc/settings.h b/include/openmc/settings.h
index 9cd430deb..90f1e8c29 100644
--- a/include/openmc/settings.h
+++ b/include/openmc/settings.h
@@ -91,8 +91,6 @@ extern int n_log_bins;        //!< number of bins for logarithmic energy grid
 extern int n_batches;         //!< number of (inactive+active) batches
 extern int n_max_batches;     //!< Maximum number of batches
 extern int max_tracks; //!< Maximum number of particle tracks written to file
-extern double
-  ncrystal_max_energy; //!< Energy in eV to switch between NCrystal and ENDF
 extern ResScatMethod res_scat_method; //!< resonance upscattering method
 extern double res_scat_energy_min; //!< Min energy in [eV] for res. upscattering
 extern double res_scat_energy_max; //!< Max energy in [eV] for res. upscattering
diff --git a/src/material.cpp b/src/material.cpp
index 2d55d6a04..74a8d7e35 100644
--- a/src/material.cpp
+++ b/src/material.cpp
@@ -801,7 +801,7 @@ void Material::calculate_neutron_xs(Particle& p) const
 
   // Calculate NCrystal cross section
   double ncrystal_xs = -1.0;
-  if (ncrystal_mat_ && p.E() < settings::ncrystal_max_energy) {
+  if (ncrystal_mat_ && p.E() < NCRYSTAL_MAX_ENERGY) {
     ncrystal_xs = ncrystal_mat_.xs(p);
   }
 
diff --git a/src/physics.cpp b/src/physics.cpp
index 46bf37aa9..7cb8040f6 100644
--- a/src/physics.cpp
+++ b/src/physics.cpp
@@ -142,7 +142,7 @@ void sample_neutron_reaction(Particle& p)
   // Sample a scattering reaction and determine the secondary energy of the
   // exiting neutron
   const auto& ncrystal_mat = model::materials[p.material()]->ncrystal_mat();
-  if (ncrystal_mat && p.E() < settings::ncrystal_max_energy) {
+  if (ncrystal_mat && p.E() < NCRYSTAL_MAX_ENERGY) {
     ncrystal_mat.scatter(p);
   } else {
     scatter(p, i_nuclide);
diff --git a/src/settings.cpp b/src/settings.cpp
index 9174d4114..2fda352ce 100644
--- a/src/settings.cpp
+++ b/src/settings.cpp
@@ -99,7 +99,6 @@ int n_batches;
 int n_max_batches;
 int max_splits {1000};
 int max_tracks {1000};
-double ncrystal_max_energy {5.0};
 ResScatMethod res_scat_method {ResScatMethod::rvs};
 double res_scat_energy_min {0.01};
 double res_scat_energy_max {1000.0};

From a0afa5de441bbd584721bf7f6c029e966675291f Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Tue, 10 Jan 2023 19:04:12 +0000
Subject: [PATCH 1474/2654] added get_surfaces_by_name method

---
 openmc/geometry.py                | 21 +++++++++++++++++++++
 tests/unit_tests/test_geometry.py | 16 ++++++++++++----
 2 files changed, 33 insertions(+), 4 deletions(-)

diff --git a/openmc/geometry.py b/openmc/geometry.py
index a43899daa..f9aecca9c 100644
--- a/openmc/geometry.py
+++ b/openmc/geometry.py
@@ -525,6 +525,27 @@ class Geometry:
         """
         return self._get_domains_by_name(name, case_sensitive, matching, 'cell')
 
+    def get_surfaces_by_name(self, name, case_sensitive=False, matching=False):
+        """Return a list of surfaces with matching names.
+
+        Parameters
+        ----------
+        name : str
+            The name to search match
+        case_sensitive : bool
+            Whether to distinguish upper and lower case letters in each
+            surface's name (default is False)
+        matching : bool
+            Whether the names must match completely (default is False)
+
+        Returns
+        -------
+        list of openmc.Surface
+            Surfaces matching the queried name
+
+        """
+        return self._get_domains_by_name(name, case_sensitive, matching, 'surface')
+
     def get_cells_by_fill_name(self, name, case_sensitive=False, matching=False):
         """Return a list of cells with fills with matching names.
 
diff --git a/tests/unit_tests/test_geometry.py b/tests/unit_tests/test_geometry.py
index 9db112fd2..f8c523071 100644
--- a/tests/unit_tests/test_geometry.py
+++ b/tests/unit_tests/test_geometry.py
@@ -159,12 +159,13 @@ def test_get_by_name():
     m2 = openmc.Material(name='Zirconium')
     m2.add_element('Zr', 1.0)
 
-    c1 = openmc.Cell(fill=m1, name='cell1')
+    s1 = openmc.Sphere(name='surface1')
+    c1 = openmc.Cell(fill=m1, region=-s1, name='cell1')
     u1 = openmc.Universe(name='Zircaloy universe', cells=[c1])
 
-    cyl = openmc.ZCylinder()
-    c2 = openmc.Cell(fill=u1, region=-cyl, name='cell2')
-    c3 = openmc.Cell(fill=m2, region=+cyl, name='Cell3')
+    s2 = openmc.ZCylinder(name='surface2')
+    c2 = openmc.Cell(fill=u1, region=-s2, name='cell2')
+    c3 = openmc.Cell(fill=m2, region=+s2, name='Cell3')
     root = openmc.Universe(name='root Universe', cells=[c2, c3])
     geom = openmc.Geometry(root)
 
@@ -177,6 +178,13 @@ def test_get_by_name():
     mats = geom.get_materials_by_name('zirconium', True, True)
     assert not mats
 
+    surfaces = set(geom.get_surfaces_by_name('surface'))
+    assert not surfaces ^ {s1, s2}
+    surfaces = set(geom.get_surfaces_by_name('Surface2', False, True))
+    assert not surfaces ^ {s2}
+    surfaces = geom.get_surfaces_by_name('Surface2', True, True)
+    assert not surfaces
+
     cells = set(geom.get_cells_by_name('cell'))
     assert not cells ^ {c1, c2, c3}
     cells = set(geom.get_cells_by_name('cell', True))

From 2c9df1b77e5828ed410dbd00250856265ec211ca Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Wed, 11 Jan 2023 09:32:02 +0000
Subject: [PATCH 1475/2654] Apply typo fixes identified incode review by
 @paulromano

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/geometry.py                | 2 +-
 tests/unit_tests/test_geometry.py | 1 -
 2 files changed, 1 insertion(+), 2 deletions(-)

diff --git a/openmc/geometry.py b/openmc/geometry.py
index eb7fa8200..a9817fbbb 100644
--- a/openmc/geometry.py
+++ b/openmc/geometry.py
@@ -267,7 +267,7 @@ class Geometry:
         ----------
         path : PathLike, optional
             Path to geometry XML file
-        materials : openmc.Materials or or PathLike
+        materials : openmc.Materials or PathLike
             Materials used to assign to cells. If PathLike, an attempt is made
             to generate materials from the provided xml file.
 
diff --git a/tests/unit_tests/test_geometry.py b/tests/unit_tests/test_geometry.py
index 843c01def..0e952ab0f 100644
--- a/tests/unit_tests/test_geometry.py
+++ b/tests/unit_tests/test_geometry.py
@@ -290,7 +290,6 @@ def test_from_xml(run_in_tmpdir, mixed_lattice_model):
         geom = openmc.Geometry.from_xml(path='geometry.xml', materials=None)
     assert 'Unable to set "materials" to "None"' in str(excinfo.value)
 
-
     # checking that the default args also work
     geom = openmc.Geometry.from_xml()
     assert isinstance(geom, openmc.Geometry)

From 50892c61b7865a92b27e289be88299ad2667343b Mon Sep 17 00:00:00 2001
From: Christopher Fichtlscherer <fichtlscherer@mailbox.com>
Date: Wed, 11 Jan 2023 13:56:54 -0500
Subject: [PATCH 1476/2654] unit test and description

---
 tests/unit_tests/test_settings.py | 2 ++
 1 file changed, 2 insertions(+)

diff --git a/tests/unit_tests/test_settings.py b/tests/unit_tests/test_settings.py
index 1ea66d1f6..15e86ca61 100644
--- a/tests/unit_tests/test_settings.py
+++ b/tests/unit_tests/test_settings.py
@@ -49,6 +49,7 @@ def test_export_to_xml(run_in_tmpdir):
         domains=[openmc.Cell()], samples=1000, lower_left=(-10., -10., -10.),
         upper_right = (10., 10., 10.))
     s.create_fission_neutrons = True
+    s.create_delayed_neutrons = False
     s.log_grid_bins = 2000
     s.photon_transport = False
     s.electron_treatment = 'led'
@@ -107,6 +108,7 @@ def test_export_to_xml(run_in_tmpdir):
                                       'energy_min': 1.0, 'energy_max': 1000.0,
                                       'nuclides': ['U235', 'U238', 'Pu239']}
     assert s.create_fission_neutrons
+    assert not s.create_delayed_neutrons 
     assert s.log_grid_bins == 2000
     assert not s.photon_transport
     assert s.electron_treatment == 'led'

From 9d86274fcc790e7ba05d030234ec099ef8c09d15 Mon Sep 17 00:00:00 2001
From: Christopher Fichtlscherer <fichtlscherer@mailbox.com>
Date: Wed, 11 Jan 2023 14:17:29 -0500
Subject: [PATCH 1477/2654] merge conflict

---
 openmc/settings.py | 4 ++++
 1 file changed, 4 insertions(+)

diff --git a/openmc/settings.py b/openmc/settings.py
index 6f3ef5ab4..6271e05dc 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -224,6 +224,10 @@ class Settings:
     weight_windows : WeightWindows iterable of WeightWindows
         Weight windows to use for variance reduction
 
+        .. versionadded:: 0.13.3
+    create_delayed_neutrons : bool
+        Whether delayed neutrons are created in fission.
+
         .. versionadded:: 0.13
     weight_windows_on : bool
         Whether weight windows are enabled

From e266bb15bfcbbdbaa77a0a30c2c9909f60612bb8 Mon Sep 17 00:00:00 2001
From: Christopher Fichtlscherer <fichtlscherer@mailbox.com>
Date: Wed, 11 Jan 2023 14:50:06 -0500
Subject: [PATCH 1478/2654] old changes for delayed neutron feature

---
 docs/source/io_formats/settings.rst | 11 +++++++++++
 include/openmc/settings.h           |  1 +
 openmc/settings.py                  | 23 +++++++++++++++++++++++
 src/finalize.cpp                    |  1 +
 src/nuclide.cpp                     |  4 ++--
 src/settings.cpp                    |  7 +++++++
 6 files changed, 45 insertions(+), 2 deletions(-)

diff --git a/docs/source/io_formats/settings.rst b/docs/source/io_formats/settings.rst
index 71ca61d54..6dff76838 100644
--- a/docs/source/io_formats/settings.rst
+++ b/docs/source/io_formats/settings.rst
@@ -32,6 +32,17 @@ standard deviation.
 
   *Default*: false
 
+-------------------------------------
+``<create_delayed_neutrons>`` Element
+-------------------------------------
+
+The ``<create_delayed_neutrons>`` element indicates whether delayed neutrons
+are created in fission. If this element is set to "true", delayed neutrons
+will be created in fission events; otherwise only prompt neutrons will be
+created.
+
+  *Default*: true
+
 -------------------------------------
 ``<create_fission_neutrons>`` Element
 -------------------------------------
diff --git a/include/openmc/settings.h b/include/openmc/settings.h
index 90f1e8c29..806288efe 100644
--- a/include/openmc/settings.h
+++ b/include/openmc/settings.h
@@ -28,6 +28,7 @@ extern bool check_overlaps;       //!< check overlaps in geometry?
 extern bool confidence_intervals; //!< use confidence intervals for results?
 extern bool
   create_fission_neutrons; //!< create fission neutrons (fixed source)?
+extern bool create_delayed_neutrons; //!< create delayed fission neutrons?
 extern "C" bool cmfd_run;  //!< is a CMFD run?
 extern bool
   delayed_photon_scaling;   //!< Scale fission photon yield to include delayed
diff --git a/openmc/settings.py b/openmc/settings.py
index 6271e05dc..3f5873c0a 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -300,6 +300,7 @@ class Settings:
             VolumeCalculation, 'volume calculations')
 
         self._create_fission_neutrons = None
+        self._create_delayed_neutrons = None
         self._delayed_photon_scaling = None
         self._material_cell_offsets = None
         self._log_grid_bins = None
@@ -463,6 +464,10 @@ class Settings:
     def create_fission_neutrons(self) -> bool:
         return self._create_fission_neutrons
 
+    @property
+    def create_delayed_neutrons(self) -> bool:        
+        return self._create_delayed_neutrons
+
     @property
     def delayed_photon_scaling(self) -> bool:
         return self._delayed_photon_scaling
@@ -870,6 +875,12 @@ class Settings:
                       create_fission_neutrons, bool)
         self._create_fission_neutrons = create_fission_neutrons
 
+    @create_delayed_neutrons.setter                                   
+    def create_delayed_neutrons(self, create_delayed_neutrons: bool):
+        cv.check_type('Whether create only prompt neutrons',
+                      create_delayed_neutrons, bool)
+        self._create_delayed_neutrons = create_delayed_neutrons
+
     @delayed_photon_scaling.setter
     def delayed_photon_scaling(self, value: bool):
         cv.check_type('delayed photon scaling', value, bool)
@@ -1211,6 +1222,11 @@ class Settings:
             elem = ET.SubElement(root, "create_fission_neutrons")
             elem.text = str(self._create_fission_neutrons).lower()
 
+   def _create_create_delayed_neutrons_subelement(self, root):            
+       if self._create_delayed_neutrons is not None:
+           elem = ET.SubElement(root, "create_delayed_neutrons")
+           elem.text = str(self._create_delayed_neutrons).lower()
+
     def _create_delayed_photon_scaling_subelement(self, root):
         if self._delayed_photon_scaling is not None:
             elem = ET.SubElement(root, "delayed_photon_scaling")
@@ -1536,6 +1552,11 @@ class Settings:
         if text is not None:
             self.create_fission_neutrons = text in ('true', '1')
 
+    def _create_delayed_neutrons_from_xml_element(self, root):         
+        text = get_text(root, 'create_delayed_neutrons')
+        if text is not None:
+            self.create_delayed_neutrons = text in ('true', '1')
+
     def _delayed_photon_scaling_from_xml_element(self, root):
         text = get_text(root, 'delayed_photon_scaling')
         if text is not None:
@@ -1634,6 +1655,7 @@ class Settings:
         self._create_resonance_scattering_subelement(element)
         self._create_volume_calcs_subelement(element)
         self._create_create_fission_neutrons_subelement(element)
+        self._create_create_delayed_neutrons_subelement(root_element)
         self._create_delayed_photon_scaling_subelement(element)
         self._create_event_based_subelement(element)
         self._create_max_particles_in_flight_subelement(element)
@@ -1726,6 +1748,7 @@ class Settings:
         settings._ufs_mesh_from_xml_element(elem, meshes)
         settings._resonance_scattering_from_xml_element(elem)
         settings._create_fission_neutrons_from_xml_element(elem)
+        settings._create_delayed_neutrons_from_xml_element(root)
         settings._delayed_photon_scaling_from_xml_element(elem)
         settings._event_based_from_xml_element(elem)
         settings._max_particles_in_flight_from_xml_element(elem)
diff --git a/src/finalize.cpp b/src/finalize.cpp
index 0c2c62310..59294b28c 100644
--- a/src/finalize.cpp
+++ b/src/finalize.cpp
@@ -74,6 +74,7 @@ int openmc_finalize()
   settings::check_overlaps = false;
   settings::confidence_intervals = false;
   settings::create_fission_neutrons = true;
+  settings::create_delayed_neutrons = true;
   settings::electron_treatment = ElectronTreatment::LED;
   settings::delayed_photon_scaling = true;
   settings::energy_cutoff = {0.0, 1000.0, 0.0, 0.0};
diff --git a/src/nuclide.cpp b/src/nuclide.cpp
index 134e2d6b9..99ed44b11 100644
--- a/src/nuclide.cpp
+++ b/src/nuclide.cpp
@@ -519,7 +519,7 @@ double Nuclide::nu(double E, EmissionMode mode, int group) const
   case EmissionMode::prompt:
     return (*fission_rx_[0]->products_[0].yield_)(E);
   case EmissionMode::delayed:
-    if (n_precursor_ > 0) {
+    if (n_precursor_ > 0 && settings::create_delayed_neutrons) {
       auto rx = fission_rx_[0];
       if (group >= 1 && group < rx->products_.size()) {
         // If delayed group specified, determine yield immediately
@@ -544,7 +544,7 @@ double Nuclide::nu(double E, EmissionMode mode, int group) const
       return 0.0;
     }
   case EmissionMode::total:
-    if (total_nu_) {
+    if (total_nu_ && settings::create_delayed_neutrons) {
       return (*total_nu_)(E);
     } else {
       return (*fission_rx_[0]->products_[0].yield_)(E);
diff --git a/src/settings.cpp b/src/settings.cpp
index 6386ce52b..1b822f3b9 100644
--- a/src/settings.cpp
+++ b/src/settings.cpp
@@ -44,6 +44,7 @@ bool assume_separate {false};
 bool check_overlaps {false};
 bool cmfd_run {false};
 bool confidence_intervals {false};
+bool create_delayed_neutrons {true};
 bool create_fission_neutrons {true};
 bool delayed_photon_scaling {true};
 bool entropy_on {false};
@@ -872,6 +873,12 @@ void read_settings_xml(pugi::xml_node root)
     }
   }
 
+  // Check whether create delayed neutrons in fission
+  if (check_for_node(root, "create_delayed_neutrons")) {
+    create_delayed_neutrons =
+      get_node_value_bool(root, "create_delayed_neutrons");
+  }
+
   // Check whether create fission sites
   if (run_mode == RunMode::FIXED_SOURCE) {
     if (check_for_node(root, "create_fission_neutrons")) {

From 8b1ecaad09546901231dc0890e55fc57622b77bf Mon Sep 17 00:00:00 2001
From: Christopher Fichtlscherer <fichtlscherer@mailbox.com>
Date: Wed, 11 Jan 2023 15:38:16 -0500
Subject: [PATCH 1479/2654] deleted white spaces

---
 openmc/settings.py | 8 ++++----
 1 file changed, 4 insertions(+), 4 deletions(-)

diff --git a/openmc/settings.py b/openmc/settings.py
index 3f5873c0a..2210b23a2 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -465,7 +465,7 @@ class Settings:
         return self._create_fission_neutrons
 
     @property
-    def create_delayed_neutrons(self) -> bool:        
+    def create_delayed_neutrons(self) -> bool:
         return self._create_delayed_neutrons
 
     @property
@@ -875,7 +875,7 @@ class Settings:
                       create_fission_neutrons, bool)
         self._create_fission_neutrons = create_fission_neutrons
 
-    @create_delayed_neutrons.setter                                   
+    @create_delayed_neutrons.setter
     def create_delayed_neutrons(self, create_delayed_neutrons: bool):
         cv.check_type('Whether create only prompt neutrons',
                       create_delayed_neutrons, bool)
@@ -1222,7 +1222,7 @@ class Settings:
             elem = ET.SubElement(root, "create_fission_neutrons")
             elem.text = str(self._create_fission_neutrons).lower()
 
-   def _create_create_delayed_neutrons_subelement(self, root):            
+   def _create_create_delayed_neutrons_subelement(self, root):
        if self._create_delayed_neutrons is not None:
            elem = ET.SubElement(root, "create_delayed_neutrons")
            elem.text = str(self._create_delayed_neutrons).lower()
@@ -1552,7 +1552,7 @@ class Settings:
         if text is not None:
             self.create_fission_neutrons = text in ('true', '1')
 
-    def _create_delayed_neutrons_from_xml_element(self, root):         
+    def _create_delayed_neutrons_from_xml_element(self, root):
         text = get_text(root, 'create_delayed_neutrons')
         if text is not None:
             self.create_delayed_neutrons = text in ('true', '1')

From 3ba117fcd95afa1f8aba745dd368db705a3a5102 Mon Sep 17 00:00:00 2001
From: Christopher Fichtlscherer <fichtlscherer@mailbox.com>
Date: Wed, 11 Jan 2023 15:41:31 -0500
Subject: [PATCH 1480/2654] indentation level change

---
 openmc/settings.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/settings.py b/openmc/settings.py
index 2210b23a2..79d28c44b 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -1222,7 +1222,7 @@ class Settings:
             elem = ET.SubElement(root, "create_fission_neutrons")
             elem.text = str(self._create_fission_neutrons).lower()
 
-   def _create_create_delayed_neutrons_subelement(self, root):
+    def _create_create_delayed_neutrons_subelement(self, root):
        if self._create_delayed_neutrons is not None:
            elem = ET.SubElement(root, "create_delayed_neutrons")
            elem.text = str(self._create_delayed_neutrons).lower()

From afa490f6a6c98e41062c180eb74fae20ddffdad4 Mon Sep 17 00:00:00 2001
From: Josh May <josh@radiantnuclear.com>
Date: Wed, 11 Jan 2023 13:27:06 -0800
Subject: [PATCH 1481/2654] Apply suggestions from code review

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/cell.py                | 3 +--
 tests/unit_tests/test_cell.py | 8 ++++----
 2 files changed, 5 insertions(+), 6 deletions(-)

diff --git a/openmc/cell.py b/openmc/cell.py
index cea362ed8..a8e1178f4 100644
--- a/openmc/cell.py
+++ b/openmc/cell.py
@@ -518,8 +518,7 @@ class Cell(IDManagerMixin):
             paths = self._paths
             self._paths = None
 
-            clone = openmc.Cell()
-            clone.name = self.name
+            clone = openmc.Cell(name=self.name)
             clone.volume = self.volume
             if self.temperature is not None:
                 clone.temperature = self.temperature
diff --git a/tests/unit_tests/test_cell.py b/tests/unit_tests/test_cell.py
index 4185e9a44..cef77f160 100644
--- a/tests/unit_tests/test_cell.py
+++ b/tests/unit_tests/test_cell.py
@@ -76,8 +76,8 @@ def test_clone():
 
     # Add optional properties to the original cell to ensure they're cloned successfully
     c.temperature = 650.
-    c.translation = [1,2,3]
-    c.rotation = [4,5,6]
+    c.translation = (1., 2., 3.)
+    c.rotation = (4., 5., 6.)
     c.volume = 100
 
     c5 = c.clone(clone_materials=False, clone_regions=False)
@@ -92,8 +92,8 @@ def test_clone():
     # Mutate the original to ensure the changes are not seen in the clones
     c.fill = openmc.Material()
     c.region = +openmc.ZCylinder()
-    c.translation = [-1,-2,-3]
-    c.rotation = [-4,-5,-6]
+    c.translation = (-1., -2., -3.)
+    c.rotation = (-4., -5., -6.)
     c.temperature = 1
     c.volume = 1
     assert c5.fill != c.fill

From f7c1a57b15ba1fe5bb697db077bf4cd29d595f79 Mon Sep 17 00:00:00 2001
From: Christopher Fichtlscherer <fichtlscherer@mailbox.com>
Date: Wed, 11 Jan 2023 16:55:27 -0500
Subject: [PATCH 1482/2654] settings change element

---
 openmc/settings.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/settings.py b/openmc/settings.py
index 79d28c44b..911131387 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -1655,7 +1655,7 @@ class Settings:
         self._create_resonance_scattering_subelement(element)
         self._create_volume_calcs_subelement(element)
         self._create_create_fission_neutrons_subelement(element)
-        self._create_create_delayed_neutrons_subelement(root_element)
+        self._create_create_delayed_neutrons_subelement(element)
         self._create_delayed_photon_scaling_subelement(element)
         self._create_event_based_subelement(element)
         self._create_max_particles_in_flight_subelement(element)

From 36249d3742dabfe95ee50e2aac822caf72f1e1a9 Mon Sep 17 00:00:00 2001
From: Christopher Fichtlscherer
 <29277544+cfichtlscherer@users.noreply.github.com>
Date: Thu, 12 Jan 2023 06:25:52 -0500
Subject: [PATCH 1483/2654] Update openmc/settings.py

yes

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/settings.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/settings.py b/openmc/settings.py
index 911131387..9330d99b6 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -1748,7 +1748,7 @@ class Settings:
         settings._ufs_mesh_from_xml_element(elem, meshes)
         settings._resonance_scattering_from_xml_element(elem)
         settings._create_fission_neutrons_from_xml_element(elem)
-        settings._create_delayed_neutrons_from_xml_element(root)
+        settings._create_delayed_neutrons_from_xml_element(elem)
         settings._delayed_photon_scaling_from_xml_element(elem)
         settings._event_based_from_xml_element(elem)
         settings._max_particles_in_flight_from_xml_element(elem)

From a66d4da53f1ce87f6a14902636ab12eb765c895b Mon Sep 17 00:00:00 2001
From: Christopher Fichtlscherer
 <29277544+cfichtlscherer@users.noreply.github.com>
Date: Thu, 12 Jan 2023 06:26:07 -0500
Subject: [PATCH 1484/2654] Update openmc/settings.py

version number

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/settings.py | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/openmc/settings.py b/openmc/settings.py
index 9330d99b6..22a83509f 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -224,11 +224,11 @@ class Settings:
     weight_windows : WeightWindows iterable of WeightWindows
         Weight windows to use for variance reduction
 
-        .. versionadded:: 0.13.3
+        .. versionadded:: 0.13
     create_delayed_neutrons : bool
         Whether delayed neutrons are created in fission.
 
-        .. versionadded:: 0.13
+        .. versionadded:: 0.13.3
     weight_windows_on : bool
         Whether weight windows are enabled
 

From e799346502d7e10500f35cedb4d1a4e4a6a3fc48 Mon Sep 17 00:00:00 2001
From: josh <josh@radiantnuclear.com>
Date: Thu, 12 Jan 2023 21:58:22 +0000
Subject: [PATCH 1485/2654] switch universe deepcopying for a fresh instance on
 clones

---
 openmc/universe.py                | 11 ++++++++---
 tests/unit_tests/test_universe.py |  8 ++++++++
 2 files changed, 16 insertions(+), 3 deletions(-)

diff --git a/openmc/universe.py b/openmc/universe.py
index 9c93e6da1..15bea0ba9 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -1,7 +1,6 @@
 from abc import ABC, abstractmethod
 from collections import OrderedDict
 from collections.abc import Iterable
-from copy import deepcopy
 from numbers import Integral, Real
 from pathlib import Path
 from tempfile import TemporaryDirectory
@@ -138,8 +137,14 @@ class UniverseBase(ABC, IDManagerMixin):
 
         # If no memoize'd clone exists, instantiate one
         if self not in memo:
-            clone = deepcopy(self)
-            clone.id = None
+            clone = openmc.Universe(name=self.name)
+            clone.volume = self.volume
+            # Try to set DAGMCUniverse-specific attributes on the clone
+            try:
+                clone.auto_geom_ids = self.auto_geom_ids
+                clone.auto_mat_ids = self.auto_mat_ids
+            except AttributeError:
+                pass
 
             # Clone all cells for the universe clone
             clone._cells = OrderedDict()
diff --git a/tests/unit_tests/test_universe.py b/tests/unit_tests/test_universe.py
index 33c86b150..39d1eec21 100644
--- a/tests/unit_tests/test_universe.py
+++ b/tests/unit_tests/test_universe.py
@@ -120,6 +120,14 @@ def test_clone():
     assert next(iter(u3.cells.values())).region ==\
          next(iter(u1.cells.values())).region
 
+    dagmc_u = openmc.DAGMCUniverse(filename="")
+    dagmc_u.auto_geom_ids = True
+    dagmc_u.auto_mat_ids = True
+    dagmc_u1 = dagmc_u.clone()
+    assert dagmc_u1.name == dagmc_u.name
+    assert dagmc_u1.auto_geom_ids == dagmc_u.auto_geom_ids
+    assert dagmc_u1.auto_mat_ids == dagmc_u.auto_mat_ids
+
 
 def test_create_xml(cell_with_lattice):
     cells = [openmc.Cell() for i in range(5)]

From 402b7b2ced81d3f09b2363f4c0a1f086ba314f33 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 13 Jan 2023 12:02:20 +0700
Subject: [PATCH 1486/2654] Happy new year 2023!

---
 LICENSE                 | 2 +-
 docs/source/conf.py     | 2 +-
 docs/source/license.rst | 2 +-
 man/man1/openmc.1       | 2 +-
 src/output.cpp          | 4 ++--
 5 files changed, 6 insertions(+), 6 deletions(-)

diff --git a/LICENSE b/LICENSE
index 7fb6e3f27..81c1f5f7b 100644
--- a/LICENSE
+++ b/LICENSE
@@ -1,4 +1,4 @@
-Copyright (c) 2011-2022 Massachusetts Institute of Technology, UChicago Argonne
+Copyright (c) 2011-2023 Massachusetts Institute of Technology, UChicago Argonne
 LLC, and OpenMC contributors
 
 Permission is hereby granted, free of charge, to any person obtaining a copy of
diff --git a/docs/source/conf.py b/docs/source/conf.py
index ae329dd7e..988e626cf 100644
--- a/docs/source/conf.py
+++ b/docs/source/conf.py
@@ -62,7 +62,7 @@ master_doc = 'index'
 
 # General information about the project.
 project = 'OpenMC'
-copyright = '2011-2022, Massachusetts Institute of Technology, UChicago Argonne LLC, and OpenMC contributors'
+copyright = '2011-2023, Massachusetts Institute of Technology, UChicago Argonne LLC, and OpenMC contributors'
 
 # The version info for the project you're documenting, acts as replacement for
 # |version| and |release|, also used in various other places throughout the
diff --git a/docs/source/license.rst b/docs/source/license.rst
index 9d2638bfb..fb29afbc0 100644
--- a/docs/source/license.rst
+++ b/docs/source/license.rst
@@ -4,7 +4,7 @@
 License Agreement
 =================
 
-Copyright © 2011-2022 Massachusetts Institute of Technology, UChicago Argonne
+Copyright © 2011-2023 Massachusetts Institute of Technology, UChicago Argonne
 LLC, and OpenMC contributors
 
 Permission is hereby granted, free of charge, to any person obtaining a copy of
diff --git a/man/man1/openmc.1 b/man/man1/openmc.1
index 6310750a2..4aa288a8c 100644
--- a/man/man1/openmc.1
+++ b/man/man1/openmc.1
@@ -57,7 +57,7 @@ Indicates the default path to an HDF5 file that contains multi-group cross
 section libraries if the user has not specified the <cross_sections> tag in
 .I materials.xml\fP.
 .SH LICENSE
-Copyright \(co 2011-2022 Massachusetts Institute of Technology, UChicago
+Copyright \(co 2011-2023 Massachusetts Institute of Technology, UChicago
 Argonne LLC, and OpenMC contributors.
 .PP
 Permission is hereby granted, free of charge, to any person obtaining a copy of
diff --git a/src/output.cpp b/src/output.cpp
index 18efed656..ae0907d02 100644
--- a/src/output.cpp
+++ b/src/output.cpp
@@ -74,7 +74,7 @@ void title()
   // Write version information
   fmt::print(
     "                 | The OpenMC Monte Carlo Code\n"
-    "       Copyright | 2011-2022 MIT, UChicago Argonne LLC, and contributors\n"
+    "       Copyright | 2011-2023 MIT, UChicago Argonne LLC, and contributors\n"
     "         License | https://docs.openmc.org/en/latest/license.html\n"
     "         Version | {}.{}.{}{}\n",
     VERSION_MAJOR, VERSION_MINOR, VERSION_RELEASE, VERSION_DEV ? "-dev" : "");
@@ -340,7 +340,7 @@ void print_version()
 #ifdef GIT_SHA1
     fmt::print("Git SHA1: {}\n", GIT_SHA1);
 #endif
-    fmt::print("Copyright (c) 2011-2022 MIT, UChicago Argonne LLC, and "
+    fmt::print("Copyright (c) 2011-2023 MIT, UChicago Argonne LLC, and "
                "contributors\nMIT/X license at "
                "<https://docs.openmc.org/en/latest/license.html>\n");
   }

From 0a8454d7f7ded14cdfc19512ba0366ec00184ea6 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 13 Jan 2023 12:08:26 +0700
Subject: [PATCH 1487/2654] Mention MCPL in optional dependencies

---
 docs/source/usersguide/install.rst | 11 +++++++++++
 1 file changed, 11 insertions(+)

diff --git a/docs/source/usersguide/install.rst b/docs/source/usersguide/install.rst
index 537dda824..899e16506 100644
--- a/docs/source/usersguide/install.rst
+++ b/docs/source/usersguide/install.rst
@@ -271,6 +271,16 @@ Prerequisites
 
           cmake -DOPENMC_USE_DAGMC=on -DCMAKE_PREFIX_PATH=/path/to/dagmc/installation ..
 
+    * MCPL_ library for reading and writing .mcpl files
+
+      This option allows OpenMC to read and write MCPL (Monte Carlo Particle
+      Lists) files instead of .h5 files for sources (external source
+      distribution, k-eigenvalue source distribution, and surface sources). To
+      turn this option on in the CMake configuration step, add the following
+      option:
+
+          cmake -DOPENMC_USE_MCPL=on ..
+
     * NCrystal_ library for defining materials with enhanced thermal neutron transport
 
       Adding this option allows the creation of materials from NCrystal, which
@@ -305,6 +315,7 @@ Prerequisites
 .. _MOAB: https://bitbucket.org/fathomteam/moab
 .. _libMesh: https://libmesh.github.io/
 .. _libpng: http://www.libpng.org/pub/png/libpng.html
+.. _MCPL: https://github.com/mctools/mcpl
 .. _NCrystal: https://github.com/mctools/ncrystal
 
 Obtaining the Source

From e873db9a07a79500e6740e3362828c2357fd2731 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 12 Jan 2023 23:13:09 -0600
Subject: [PATCH 1488/2654] Apply suggestions from @paulromano

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 docs/source/io_formats/settings.rst           |  2 +-
 include/openmc/distribution_spatial.h         |  1 -
 openmc/source.py                              |  1 -
 openmc/stats/multivariate.py                  | 27 +++++++++----------
 src/mesh.cpp                                  |  9 ++-----
 .../unstructured_mesh/source_sampling/test.py | 16 ++++++-----
 6 files changed, 25 insertions(+), 31 deletions(-)

diff --git a/docs/source/io_formats/settings.rst b/docs/source/io_formats/settings.rst
index fc98b662e..b97049d38 100644
--- a/docs/source/io_formats/settings.rst
+++ b/docs/source/io_formats/settings.rst
@@ -493,7 +493,7 @@ attributes/sub-elements:
       independent distributions of r-, cos_theta-, and phi-coordinates where
       cos_theta is the cosine of the angle with respect to the z-axis, phi is
       the azimuthal angle, and the sphere is centered on the coordinate
-      (x0,y0,z0). A "mesh" spatial distribution source sites from a mesh element
+      (x0,y0,z0). A "mesh" spatial distribution samples source sites from a mesh element
       based on the relative strengths provided in the node. Source locations
       within an element are sampled isotropically. If no strengths are provided,
       the space within the mesh is uniformly sampled.
diff --git a/include/openmc/distribution_spatial.h b/include/openmc/distribution_spatial.h
index 0be6329f5..ece706759 100644
--- a/include/openmc/distribution_spatial.h
+++ b/include/openmc/distribution_spatial.h
@@ -115,7 +115,6 @@ public:
 private:
   Mesh* mesh_ptr_ {nullptr};
   int32_t mesh_idx_ {C_NONE};
-  std::string sample_scheme_;
   double total_strength_ {0.0};
   std::vector<double> mesh_CDF_;
   std::vector<double> mesh_strengths_;
diff --git a/openmc/source.py b/openmc/source.py
index 32f8ea3d6..9293a5953 100644
--- a/openmc/source.py
+++ b/openmc/source.py
@@ -16,7 +16,6 @@ from openmc.checkvalue import PathLike
 from openmc.stats.multivariate import UnitSphere, Spatial
 from openmc.stats.univariate import Univariate
 from ._xml import get_text
-from .mesh import MeshBase
 
 
 class Source:
diff --git a/openmc/stats/multivariate.py b/openmc/stats/multivariate.py
index 171ff4b40..db13b9bc9 100644
--- a/openmc/stats/multivariate.py
+++ b/openmc/stats/multivariate.py
@@ -619,21 +619,21 @@ class CylindricalIndependent(Spatial):
         origin = [float(x) for x in elem.get('origin').split()]
         return cls(r, phi, z, origin=origin)
 
+
 class MeshSpatial(Spatial):
     """Spatial distribution for a mesh.
 
-    This distribution specifies a mesh to sample over, chooses whether it will
-    be adjusted by element volume, and can set the source strengths.
+    This distribution specifies a mesh to sample over with source strengths
+    specified for each mesh element.
 
     .. versionadded:: 0.13.3
 
     Parameters
     ----------
     mesh : openmc.MeshBase
-        The mesh instance used for sampling, mesh is written into settings.xml,
-        mesh.id is written into the source distribution
-    strengths : Iterable of Real, optional
-        A list of values which represent the weights of each element. If no
+        The mesh instance used for sampling
+    strengths : iterable of float, optional
+        An iterable of values that represents the weights of each element. If no
         source strengths are specified, they will be equal for all mesh
         elements.
     volume_normalized : bool, optional
@@ -643,10 +643,9 @@ class MeshSpatial(Spatial):
     Attributes
     ----------
     mesh : openmc.MeshBase
-        The mesh instance used for sampling, mesh is written into settings.xml,
-        mesh.id is written into the source distribution
-    strengths : Iterable of Real, optional
-        A list of values which represent the weights of each element
+        The mesh instance used for sampling
+    strengths : numpy.ndarray or None
+        An array of source strengths for each mesh element
     volume_normalized : bool
         Whether or not the strengths will be multiplied by element volumes at
         runtime.
@@ -663,8 +662,8 @@ class MeshSpatial(Spatial):
 
     @mesh.setter
     def mesh(self, mesh):
-        if mesh != None:
-            cv.check_type('Unstructured Mesh instance', mesh, MeshBase)
+        if mesh is not None:
+            cv.check_type('mesh instance', mesh, MeshBase)
         self._mesh = mesh
 
     @property
@@ -684,13 +683,13 @@ class MeshSpatial(Spatial):
     def strengths(self, given_strengths):
         if given_strengths is not None:
             cv.check_type('strengths array passed in', given_strengths, Iterable, Real)
-            self._strengths = np.array(given_strengths, dtype=float).flatten()
+            self._strengths = np.asarray(given_strengths, dtype=float).flatten()
         else:
             self._strengths = None
 
     @property
     def num_strength_bins(self):
-        if self.strengths == None:
+        if self.strengths is None:
             raise ValueError('Strengths are not set')
         return self.strengths.size
 
diff --git a/src/mesh.cpp b/src/mesh.cpp
index abb6f8b8c..2102f953d 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -195,7 +195,6 @@ UnstructuredMesh::UnstructuredMesh(pugi::xml_node node) : Mesh(node)
   }
 }
 
-// Sample barycentric coordinates given a seed and the vertex positions and return the sampled position
 Position UnstructuredMesh::sample_tet(std::array<Position, 4> coords, uint64_t* seed) const {
   // Uniform distribution
   double s = prn(seed);
@@ -2112,9 +2111,7 @@ Position MOABMesh::sample(uint64_t* seed, int32_t bin) const {
     tet_verts[i] = {p[i][0], p[i][1], p[i][2]};
   }
   // Samples position within tet using Barycentric stuff
-  Position r = this->sample_tet(tet_verts, seed);
-
-  return r;
+  return this->sample_tet(tet_verts, seed);
 }
 
 
@@ -2580,9 +2577,7 @@ Position LibMesh::sample(uint64_t* seed, int32_t bin) const {
     tet_verts[i] = {node_ref(0), node_ref(1), node_ref(2)};
   }
   // Samples position within tet using Barycentric coordinates
-  Position r = this->sample_tet(tet_verts, seed);
-
-  return r;
+  return this->sample_tet(tet_verts, seed);
 }
 
 Position LibMesh::centroid(int bin) const
diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/test.py b/tests/regression_tests/unstructured_mesh/source_sampling/test.py
index e34bf3b75..facd0cad5 100644
--- a/tests/regression_tests/unstructured_mesh/source_sampling/test.py
+++ b/tests/regression_tests/unstructured_mesh/source_sampling/test.py
@@ -1,15 +1,15 @@
 from itertools import product
-
 from pathlib import Path
+
 import pytest
 import numpy as np
-
 import openmc
 import openmc.lib
 
 from tests import cdtemp
 from tests.testing_harness import PyAPITestHarness
 
+
 TETS_PER_VOXEL = 12
 
 # This test uses a geometry file with cells that match a regular mesh. Each cell
@@ -60,7 +60,8 @@ def model():
     strengths = np.zeros(n_cells*TETS_PER_VOXEL)
     # set non-zero strengths only for the tets corresponding to the
     # first two geometric hex cells
-    strengths[0:TETS_PER_VOXEL] = 10
+    strengths[:TETS_PER_VOXEL] = 10
+
     strengths[TETS_PER_VOXEL:2*TETS_PER_VOXEL] = 2
 
     # create the spatial distribution based on the mesh
@@ -74,10 +75,11 @@ def model():
                               settings=settings)
 
 
-test_cases = []
-for i, lib, in enumerate(['libmesh', 'moab']):
-    test_cases.append({'library' : lib,
-                       'inputs_true' : 'inputs_true{}.dat'.format(i)})
+test_cases = [
+    {'library': lib, 'inputs_true': f'inputs_true{i}.dat'}
+    for i, lib in enumerate(('libmesh', 'moab'))
+]
+
 
 @pytest.mark.parametrize("test_cases", test_cases, ids=lambda p: p['library'])
 def test_unstructured_mesh_sampling(model, test_cases):

From d4cbcd12fc70cb52625e041c409c22e68d009395 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 12 Jan 2023 23:13:35 -0600
Subject: [PATCH 1489/2654] Addressing comments from @paulromano's review

---
 include/openmc/distribution_spatial.h |  1 -
 include/openmc/mesh.h                 | 12 ++++++++--
 src/distribution_spatial.cpp          | 20 ++++++++++++----
 src/mesh.cpp                          | 34 ++++++++++++++++++++-------
 4 files changed, 51 insertions(+), 16 deletions(-)

diff --git a/include/openmc/distribution_spatial.h b/include/openmc/distribution_spatial.h
index ece706759..939d055ba 100644
--- a/include/openmc/distribution_spatial.h
+++ b/include/openmc/distribution_spatial.h
@@ -113,7 +113,6 @@ public:
   int32_t n_sources() const { return this->mesh()->n_bins(); }
 
 private:
-  Mesh* mesh_ptr_ {nullptr};
   int32_t mesh_idx_ {C_NONE};
   double total_strength_ {0.0};
   std::vector<double> mesh_CDF_;
diff --git a/include/openmc/mesh.h b/include/openmc/mesh.h
index 310320486..73a4f0bb7 100644
--- a/include/openmc/mesh.h
+++ b/include/openmc/mesh.h
@@ -78,7 +78,8 @@ public:
   //! Sample a mesh volume using a certain seed
   //
   //! \param[in] seed Seed to use for random sampling
-  //! \param[out] r Position within tet
+  //! \param[in] bin Bin value of the tet sampled
+  //! \return sampled position within tet
   virtual Position sample(uint64_t* seed, int32_t bin) const=0;
 
   //! Get the volume of a mesh bin
@@ -536,6 +537,8 @@ public:
     true}; //!< Write tallies onto the unstructured mesh at the end of a run
   std::string filename_; //!< Path to unstructured mesh file
 
+  ElementType element_type(int bin) const;
+
 protected:
   //! Set the length multiplier to apply to each point in the mesh
   void set_length_multiplier(const double length_multiplier);
@@ -545,7 +548,12 @@ protected:
     1.0}; //!< Constant multiplication factor to apply to mesh coordinates
   bool specified_length_multiplier_ {false};
 
-  //! Sample a tetrahedron for an unstructured mesh
+  //! Sample barycentric coordinates given a seed and the vertex positions and
+  //! return the sampled position
+  //
+  //! \param[in] coords Coordinates of the tetrahedron
+  //! \param[in] seed Random number generation seed
+  //! \return Sampled position within the tetrahedron
   Position sample_tet(std::array<Position, 4> coords, uint64_t* seed) const;
 
 private:
diff --git a/src/distribution_spatial.cpp b/src/distribution_spatial.cpp
index c1e000fcd..fbe5ce658 100644
--- a/src/distribution_spatial.cpp
+++ b/src/distribution_spatial.cpp
@@ -194,9 +194,19 @@ MeshSpatial::MeshSpatial(pugi::xml_node node)
   // Get pointer to spatial distribution
   mesh_idx_ = model::mesh_map.at(mesh_id);
 
-  // Check whether mesh pointer points to a mesh
-  mesh_ptr_ = dynamic_cast<Mesh*>(model::meshes[mesh_idx_].get());
-  if (!mesh_ptr_) {fatal_error("Mesh passed to spatial distribution is not a mesh object"); }
+  auto mesh_ptr =
+    dynamic_cast<UnstructuredMesh*>(model::meshes.at(mesh_idx_).get());
+  if (!mesh_ptr) {
+    fatal_error("Only unstructured mesh is supported for source sampling.");
+  }
+
+  // ensure that the unstructured mesh contains only linear tets
+  for (int bin = 0; bin < mesh_ptr->n_bins(); bin++) {
+    if (mesh_ptr->element_type(bin) != ElementType::LINEAR_TET) {
+      fatal_error(
+        "Mesh specified for source must contain only linear tetrahedra.");
+    }
+  }
 
   int32_t n_bins = this->n_sources();
   std::vector<double> strengths(n_bins, 0.0);
@@ -222,7 +232,7 @@ MeshSpatial::MeshSpatial(pugi::xml_node node)
 
   if (get_node_value_bool(node, "volume_normalized")) {
     for (int i = 0; i < n_bins; i++) {
-      mesh_strengths_[i] *= mesh_ptr_->volume(i);
+      mesh_strengths_[i] *= mesh()->volume(i);
     }
   }
 
@@ -244,7 +254,7 @@ Position MeshSpatial::sample(uint64_t* seed) const
   double eta = prn(seed);
   // Sample over the CDF defined in initialization above
   int32_t elem_idx = lower_bound_index(mesh_CDF_.begin(), mesh_CDF_.end(), eta);
-  return mesh_ptr_->sample(seed, elem_idx);
+  return mesh()->sample(seed, elem_idx);
 }
 
 //==============================================================================
diff --git a/src/mesh.cpp b/src/mesh.cpp
index 2102f953d..39b5a225e 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -195,14 +195,17 @@ UnstructuredMesh::UnstructuredMesh(pugi::xml_node node) : Mesh(node)
   }
 }
 
-Position UnstructuredMesh::sample_tet(std::array<Position, 4> coords, uint64_t* seed) const {
+Position UnstructuredMesh::sample_tet(
+  std::array<Position, 4> coords, uint64_t* seed) const
+{
   // Uniform distribution
   double s = prn(seed);
   double t = prn(seed);
   double u = prn(seed);
 
-  // From PyNE implementation of moab tet sampling
-  // C. Rocchini and P. Cignoni, “Generating Random Points in a Tetrahedron,”
+  // From PyNE implementation of moab tet sampling C. Rocchini & P. Cignoni
+  // (2000) Generating Random Points in a Tetrahedron, Journal of Graphics
+  // Tools, 5:4, 9-12, DOI: 10.1080/10867651.2000.10487528
   if (s + t > 1) {
       s = 1.0 - s;
       t = 1.0 - t;
@@ -222,7 +225,6 @@ Position UnstructuredMesh::sample_tet(std::array<Position, 4> coords, uint64_t*
     + t*(coords[2]-coords[0])
     + u*(coords[3]-coords[0])
     + coords[0];
-
 }
 
 const std::string UnstructuredMesh::mesh_type = "unstructured";
@@ -313,6 +315,18 @@ void UnstructuredMesh::set_length_multiplier(double length_multiplier)
     specified_length_multiplier_ = true;
 }
 
+ElementType UnstructuredMesh::element_type(int bin) const
+{
+  auto conn = connectivity(bin);
+
+  if (conn.size() == 4)
+    return ElementType::LINEAR_TET;
+  else if (conn.size() == 8)
+    return ElementType::LINEAR_HEX;
+  else
+    return ElementType::UNSUPPORTED;
+}
+
 StructuredMesh::MeshIndex StructuredMesh::get_indices(
   Position r, bool& in_mesh) const
 {
@@ -2095,10 +2109,14 @@ Position MOABMesh::sample(uint64_t* seed, int32_t bin) const {
   moab::EntityHandle tet_ent = get_ent_handle_from_bin(bin);
 
   // Get vertex coordinates for MOAB tet
-  vector<moab::EntityHandle> conn1;
-  moab::ErrorCode rval = mbi_->get_connectivity(&tet_ent, 1, conn1);
-  if (rval != moab::MB_SUCCESS) {
-    fatal_error("Failed to get tet connectivity");
+  std::array<moab::EntityHandle, 4> conn1;
+  int conn1_size;
+  moab::ErrorCode rval =
+    mbi_->get_connectivity(&tet_ent, 1, conn1.data(), conn1_size);
+  if (rval != moab::MB_SUCCESS || conn1_size != 4) {
+    fatal_error(fmt::format(
+      "Failed to get tet connectivity or connectivity size () is invalid.",
+      conn1_size));
   }
   moab::CartVect p[4];
   rval = mbi_->get_coords(conn1.data(), conn1.size(), p[0].array());

From 4195d1e8ca464aa5435f9376ac70d1ead190d7eb Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 12 Jan 2023 23:18:25 -0600
Subject: [PATCH 1490/2654] Restoring blank lines in settings.cpp and
 source.cpp

---
 src/settings.cpp | 4 ++++
 src/source.cpp   | 4 ++++
 2 files changed, 8 insertions(+)

diff --git a/src/settings.cpp b/src/settings.cpp
index c3ecd46b4..310378517 100644
--- a/src/settings.cpp
+++ b/src/settings.cpp
@@ -371,6 +371,7 @@ void read_settings_xml(pugi::xml_node root)
       }
     }
   }
+
   if (run_mode == RunMode::EIGENVALUE || run_mode == RunMode::FIXED_SOURCE) {
     // Read run parameters
     get_run_parameters(node_mode);
@@ -434,6 +435,7 @@ void read_settings_xml(pugi::xml_node root)
               "the OMP_NUM_THREADS environment variable to set the number of "
               "threads.");
   }
+
   // ==========================================================================
   // EXTERNAL SOURCE
 
@@ -462,6 +464,7 @@ void read_settings_xml(pugi::xml_node root)
       model::external_sources.push_back(make_unique<IndependentSource>(node));
     }
   }
+
   // Check if the user has specified to read surface source
   if (check_for_node(root, "surf_source_read")) {
     surf_source_read = true;
@@ -532,6 +535,7 @@ void read_settings_xml(pugi::xml_node root)
         std::stod(get_node_value(node_cutoff, "energy_positron"));
     }
   }
+
   // Particle trace
   if (check_for_node(root, "trace")) {
     auto temp = get_node_array<int64_t>(root, "trace");
diff --git a/src/source.cpp b/src/source.cpp
index 2fdcc319f..2cb5632b3 100644
--- a/src/source.cpp
+++ b/src/source.cpp
@@ -111,6 +111,7 @@ IndependentSource::IndependentSource(pugi::xml_node node)
       // If no spatial distribution specified, make it a point source
       space_ = UPtrSpace {new SpatialPoint()};
     }
+
     // Determine external source angular distribution
     if (check_for_node(node, "angle")) {
       // Get pointer to angular distribution
@@ -130,9 +131,11 @@ IndependentSource::IndependentSource(pugi::xml_node node)
         fatal_error(fmt::format(
           "Invalid angular distribution for external source: {}", type));
       }
+
     } else {
       angle_ = UPtrAngle {new Isotropic()};
     }
+
     // Determine external source energy distribution
     if (check_for_node(node, "energy")) {
       pugi::xml_node node_dist = node.child("energy");
@@ -141,6 +144,7 @@ IndependentSource::IndependentSource(pugi::xml_node node)
       // Default to a Watt spectrum with parameters 0.988 MeV and 2.249 MeV^-1
       energy_ = UPtrDist {new Watt(0.988e6, 2.249e-6)};
     }
+
     // Determine external source time distribution
     if (check_for_node(node, "time")) {
       pugi::xml_node node_dist = node.child("time");

From 55138aa144942816ae5bdd457cbfc5194cefa988 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 12 Jan 2023 23:49:31 -0600
Subject: [PATCH 1491/2654] Picking up an additional suggestion from
 @paulromano

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 .../regression_tests/unstructured_mesh/source_sampling/test.py  | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/test.py b/tests/regression_tests/unstructured_mesh/source_sampling/test.py
index facd0cad5..7627a68db 100644
--- a/tests/regression_tests/unstructured_mesh/source_sampling/test.py
+++ b/tests/regression_tests/unstructured_mesh/source_sampling/test.py
@@ -36,7 +36,7 @@ def model():
 
     root_cell, _ = regular_mesh.build_cells()
 
-    geometry = openmc.Geometry(root=[root_cell])
+    geometry = openmc.Geometry([root_cell])
 
     # set boundary conditions of the root cell
     for surface in root_cell.region.get_surfaces().values():

From 4d06ed5640604dd8a6c65bab16f27308cace684e Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 12 Jan 2023 23:51:12 -0600
Subject: [PATCH 1492/2654] Passing mesh memo through to source from_xml method

---
 openmc/settings.py | 25 +++++++++++++++----------
 1 file changed, 15 insertions(+), 10 deletions(-)

diff --git a/openmc/settings.py b/openmc/settings.py
index b8b1ec2b4..129ae2655 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -978,8 +978,8 @@ class Settings:
         for source in self.source:
             root.append(source.to_xml_element())
             if isinstance(source.space, MeshSpatial):
-                path = f"./mesh[@id='{source.space.mesh.id}']" 
-                if root.find(path) is None: 
+                path = f"./mesh[@id='{source.space.mesh.id}']"
+                if root.find(path) is None:
                     root.append(source.space.mesh.to_xml_element())
 
     def _create_volume_calcs_subelement(self, root):
@@ -1326,17 +1326,22 @@ class Settings:
             threshold = float(get_text(elem, 'threshold'))
             self.keff_trigger = {'type': trigger, 'threshold': threshold}
 
-    def _source_from_xml_element(self, root):
+    def _source_from_xml_element(self, root, meshes=None):
         for elem in root.findall('source'):
             src = Source.from_xml_element(elem)
             if isinstance(src.space, MeshSpatial):
                 mesh_id = int(get_text(elem, 'mesh'))
-                path = f"./mesh[@id='{mesh_id}']"
-                mesh_elem = root.find(path)
-                if mesh_elem is not None:
-                    src.space.mesh = MeshBase.from_xml_element(mesh_elem)
-                else:
-                    raise RuntimeError('No mesh was specified for the mesh source')
+                if mesh_id not in meshes:
+                    path = f"./mesh[@id='{mesh_id}']"
+                    mesh_elem = root.find(path)
+                    if mesh_elem is not None:
+                        mesh = MeshBase.from_xml_element(mesh_elem)
+                    meshes[mesh.id] = mesh
+                try:
+                    src.space.mesh = meshes[mesh_id]
+                except KeyError as e:
+                    raise e(f'Mesh with ID {mesh_id} was not found.')
+            # add newly constructed source object to the list
             self.source.append(src)
 
     def _volume_calcs_from_xml_element(self, root):
@@ -1710,7 +1715,7 @@ class Settings:
         settings._rel_max_lost_particles_from_xml_element(elem)
         settings._generations_per_batch_from_xml_element(elem)
         settings._keff_trigger_from_xml_element(elem)
-        settings._source_from_xml_element(elem)
+        settings._source_from_xml_element(elem, meshes)
         settings._volume_calcs_from_xml_element(elem)
         settings._output_from_xml_element(elem)
         settings._statepoint_from_xml_element(elem)

From 4675ff0231739849f27019afc2e866cce0e83f87 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 12 Jan 2023 23:52:34 -0600
Subject: [PATCH 1493/2654] Correcting MOAB call args

---
 src/mesh.cpp | 8 ++++----
 1 file changed, 4 insertions(+), 4 deletions(-)

diff --git a/src/mesh.cpp b/src/mesh.cpp
index 39b5a225e..ffe239015 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -2109,17 +2109,17 @@ Position MOABMesh::sample(uint64_t* seed, int32_t bin) const {
   moab::EntityHandle tet_ent = get_ent_handle_from_bin(bin);
 
   // Get vertex coordinates for MOAB tet
-  std::array<moab::EntityHandle, 4> conn1;
+  const moab::EntityHandle* conn1;
   int conn1_size;
   moab::ErrorCode rval =
-    mbi_->get_connectivity(&tet_ent, 1, conn1.data(), conn1_size);
+    mbi_->get_connectivity(tet_ent, conn1, conn1_size);
   if (rval != moab::MB_SUCCESS || conn1_size != 4) {
     fatal_error(fmt::format(
-      "Failed to get tet connectivity or connectivity size () is invalid.",
+      "Failed to get tet connectivity or connectivity size ({}) is invalid.",
       conn1_size));
   }
   moab::CartVect p[4];
-  rval = mbi_->get_coords(conn1.data(), conn1.size(), p[0].array());
+  rval = mbi_->get_coords(conn1, conn1_size, p[0].array());
   if (rval != moab::MB_SUCCESS) {
     fatal_error("Failed to get tet coords");
   }

From 6f0c6f52962cb37f5ec1420c1537f868630297f7 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 12 Jan 2023 23:52:57 -0600
Subject: [PATCH 1494/2654] Applying suggestions for tests from @paulromano.

---
 .../unstructured_mesh/source_sampling/test.py             | 8 ++------
 tests/unit_tests/test_source_mesh.py                      | 8 ++------
 2 files changed, 4 insertions(+), 12 deletions(-)

diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/test.py b/tests/regression_tests/unstructured_mesh/source_sampling/test.py
index 7627a68db..35b3be63e 100644
--- a/tests/regression_tests/unstructured_mesh/source_sampling/test.py
+++ b/tests/regression_tests/unstructured_mesh/source_sampling/test.py
@@ -21,7 +21,7 @@ def model():
     ### Materials ###
     materials = openmc.Materials()
 
-    water_mat = openmc.Material(material_id=3, name="water")
+    water_mat = openmc.Material(name="water")
     water_mat.add_nuclide("H1", 2.0)
     water_mat.add_nuclide("O16", 1.0)
     water_mat.set_density("atom/b-cm", 0.07416)
@@ -34,14 +34,10 @@ def model():
     regular_mesh.dimension = (10, 10, 10)
     regular_mesh.width = (2, 2, 2)
 
-    root_cell, _ = regular_mesh.build_cells()
+    root_cell, _ = regular_mesh.build_cells(bc=['vacuum']*6)
 
     geometry = openmc.Geometry([root_cell])
 
-    # set boundary conditions of the root cell
-    for surface in root_cell.region.get_surfaces().values():
-        surface.boundary_type = 'vacuum'
-
     ### Settings ###
     settings = openmc.Settings()
     settings.run_mode = 'fixed source'
diff --git a/tests/unit_tests/test_source_mesh.py b/tests/unit_tests/test_source_mesh.py
index f093d54d6..34f84f450 100644
--- a/tests/unit_tests/test_source_mesh.py
+++ b/tests/unit_tests/test_source_mesh.py
@@ -23,7 +23,7 @@ def model():
     ### Materials ###
     materials = openmc.Materials()
 
-    water_mat = openmc.Material(material_id=3, name="water")
+    water_mat = openmc.Material(name="water")
     water_mat.add_nuclide("H1", 2.0)
     water_mat.add_nuclide("O16", 1.0)
     water_mat.set_density("atom/b-cm", 0.07416)
@@ -39,14 +39,10 @@ def model():
     regular_mesh.dimension = (10, 10, 10)
     regular_mesh.width = (2, 2, 2)
 
-    root_cell, _ = regular_mesh.build_cells()
+    root_cell, _ = regular_mesh.build_cells(bc=['vacuum']*6)
 
     geometry = openmc.Geometry(root=[root_cell])
 
-    # set boundary conditions of the root cell
-    for surface in root_cell.region.get_surfaces().values():
-        surface.boundary_type = 'vacuum'
-
     ### Settings ###
     settings = openmc.Settings()
     settings.run_mode = 'fixed source'

From d0988327fef653bb09b4152640d099206e55f482 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 13 Jan 2023 00:00:16 -0600
Subject: [PATCH 1495/2654] Applying formatter

---
 include/openmc/distribution_spatial.h |  2 +-
 include/openmc/mesh.h                 | 19 ++++----
 src/distribution_spatial.cpp          | 38 ++++++++-------
 src/initialize.cpp                    | 22 +++++----
 src/mesh.cpp                          | 66 +++++++++++++++------------
 src/settings.cpp                      |  3 +-
 src/source.cpp                        |  2 +-
 7 files changed, 86 insertions(+), 66 deletions(-)

diff --git a/include/openmc/distribution_spatial.h b/include/openmc/distribution_spatial.h
index 939d055ba..78fb316db 100644
--- a/include/openmc/distribution_spatial.h
+++ b/include/openmc/distribution_spatial.h
@@ -4,8 +4,8 @@
 #include "pugixml.hpp"
 
 #include "openmc/distribution.h"
-#include "openmc/position.h"
 #include "openmc/mesh.h"
+#include "openmc/position.h"
 
 namespace openmc {
 
diff --git a/include/openmc/mesh.h b/include/openmc/mesh.h
index 73a4f0bb7..7abc8a832 100644
--- a/include/openmc/mesh.h
+++ b/include/openmc/mesh.h
@@ -7,8 +7,8 @@
 #include <unordered_map>
 
 #include "hdf5.h"
-#include "xtensor/xtensor.hpp"
 #include "pugixml.hpp"
+#include "xtensor/xtensor.hpp"
 
 #include "openmc/memory.h" // for unique_ptr
 #include "openmc/particle.h"
@@ -41,7 +41,7 @@ namespace openmc {
 // Constants
 //==============================================================================
 
-enum class ElementType { UNSUPPORTED=-1, LINEAR_TET, LINEAR_HEX };
+enum class ElementType { UNSUPPORTED = -1, LINEAR_TET, LINEAR_HEX };
 
 //==============================================================================
 // Global variables
@@ -80,7 +80,7 @@ public:
   //! \param[in] seed Seed to use for random sampling
   //! \param[in] bin Bin value of the tet sampled
   //! \return sampled position within tet
-  virtual Position sample(uint64_t* seed, int32_t bin) const=0;
+  virtual Position sample(uint64_t* seed, int32_t bin) const = 0;
 
   //! Get the volume of a mesh bin
   //
@@ -713,7 +713,7 @@ private:
   std::pair<moab::Tag, moab::Tag> get_score_tags(std::string score) const;
 
   // Data members
-  moab::Range ehs_; //!< Range of tetrahedra EntityHandle's in the mesh
+  moab::Range ehs_;   //!< Range of tetrahedra EntityHandle's in the mesh
   moab::Range verts_; //!< Range of vertex EntityHandle's in the mesh
   moab::EntityHandle tetset_;      //!< EntitySet containing all tetrahedra
   moab::EntityHandle kdtree_root_; //!< Root of the MOAB KDTree
@@ -731,8 +731,8 @@ class LibMesh : public UnstructuredMesh {
 public:
   // Constructors
   LibMesh(pugi::xml_node node);
-  LibMesh(const std::string & filename, double length_multiplier = 1.0);
-  LibMesh(libMesh::MeshBase & input_mesh, double length_multiplier = 1.0);
+  LibMesh(const std::string& filename, double length_multiplier = 1.0);
+  LibMesh(libMesh::MeshBase& input_mesh, double length_multiplier = 1.0);
 
   static const std::string mesh_lib_type;
 
@@ -787,8 +787,11 @@ private:
   int get_bin_from_element(const libMesh::Elem* elem) const;
 
   // Data members
-  unique_ptr<libMesh::MeshBase> unique_m_ = nullptr; //!< pointer to the libMesh MeshBase instance, only used if mesh is created inside OpenMC
-  libMesh::MeshBase* m_; //!< pointer to libMesh MeshBase instance, always set during intialization
+  unique_ptr<libMesh::MeshBase> unique_m_ =
+    nullptr; //!< pointer to the libMesh MeshBase instance, only used if mesh is
+             //!< created inside OpenMC
+  libMesh::MeshBase* m_; //!< pointer to libMesh MeshBase instance, always set
+                         //!< during intialization
   vector<unique_ptr<libMesh::PointLocatorBase>>
     pl_; //!< per-thread point locators
   unique_ptr<libMesh::EquationSystems>
diff --git a/src/distribution_spatial.cpp b/src/distribution_spatial.cpp
index fbe5ce658..fb1fbf099 100644
--- a/src/distribution_spatial.cpp
+++ b/src/distribution_spatial.cpp
@@ -1,10 +1,10 @@
 #include "openmc/distribution_spatial.h"
 
 #include "openmc/error.h"
-#include "openmc/random_lcg.h"
-#include "openmc/xml_interface.h"
 #include "openmc/mesh.h"
+#include "openmc/random_lcg.h"
 #include "openmc/search.h"
+#include "openmc/xml_interface.h"
 
 namespace openmc {
 
@@ -139,7 +139,8 @@ SphericalIndependent::SphericalIndependent(pugi::xml_node node)
     pugi::xml_node node_dist = node.child("cos_theta");
     cos_theta_ = distribution_from_xml(node_dist);
   } else {
-    // If no distribution was specified, default to a single point at cos_theta=0
+    // If no distribution was specified, default to a single point at
+    // cos_theta=0
     double x[] {0.0};
     double p[] {1.0};
     cos_theta_ = make_unique<Discrete>(x, p, 1);
@@ -188,8 +189,8 @@ Position SphericalIndependent::sample(uint64_t* seed) const
 
 MeshSpatial::MeshSpatial(pugi::xml_node node)
 {
-  // No in-tet distributions implemented, could include distributions for the barycentric coords
-  // Read in unstructured mesh from mesh_id value
+  // No in-tet distributions implemented, could include distributions for the
+  // barycentric coords Read in unstructured mesh from mesh_id value
   int32_t mesh_id = std::stoi(get_node_value(node, "mesh_id"));
   // Get pointer to spatial distribution
   mesh_idx_ = model::mesh_map.at(mesh_id);
@@ -211,7 +212,7 @@ MeshSpatial::MeshSpatial(pugi::xml_node node)
   int32_t n_bins = this->n_sources();
   std::vector<double> strengths(n_bins, 0.0);
 
-  mesh_CDF_.resize(n_bins+1);
+  mesh_CDF_.resize(n_bins + 1);
   mesh_CDF_[0] = {0.0};
   total_strength_ = 0.0;
 
@@ -220,14 +221,14 @@ MeshSpatial::MeshSpatial(pugi::xml_node node)
   // File scheme is weighted by an array given in the xml file
   mesh_strengths_ = std::vector<double>(n_bins, 1.0);
   if (check_for_node(node, "strengths")) {
-      strengths = get_node_array<double>(node, "strengths");
-      if (strengths.size() != n_bins) {
-        fatal_error(
-          fmt::format("Number of entries in the source strengths array {} does "
-                      "not match the number of entities in mesh {} ({}).",
-            strengths.size(), mesh_id, n_bins));
-      }
-      mesh_strengths_ = std::move(strengths);
+    strengths = get_node_array<double>(node, "strengths");
+    if (strengths.size() != n_bins) {
+      fatal_error(
+        fmt::format("Number of entries in the source strengths array {} does "
+                    "not match the number of entities in mesh {} ({}).",
+          strengths.size(), mesh_id, n_bins));
+    }
+    mesh_strengths_ = std::move(strengths);
   }
 
   if (get_node_value_bool(node, "volume_normalized")) {
@@ -236,14 +237,17 @@ MeshSpatial::MeshSpatial(pugi::xml_node node)
     }
   }
 
-  total_strength_ = std::accumulate(mesh_strengths_.begin(), mesh_strengths_.end(), 0.0);
+  total_strength_ =
+    std::accumulate(mesh_strengths_.begin(), mesh_strengths_.end(), 0.0);
 
   for (int i = 0; i < n_bins; i++) {
-    mesh_CDF_[i+1] = mesh_CDF_[i] + mesh_strengths_[i]/total_strength_;
+    mesh_CDF_[i + 1] = mesh_CDF_[i] + mesh_strengths_[i] / total_strength_;
   }
 
   if (fabs(mesh_CDF_.back() - 1.0) > FP_COINCIDENT) {
-    fatal_error(fmt::format("Mesh sampling CDF is incorrectly formed. Final value is: {}", mesh_CDF_.back()));
+    fatal_error(
+      fmt::format("Mesh sampling CDF is incorrectly formed. Final value is: {}",
+        mesh_CDF_.back()));
   }
   mesh_CDF_.back() = 1.0;
 }
diff --git a/src/initialize.cpp b/src/initialize.cpp
index 913e0b1a9..6383af64e 100644
--- a/src/initialize.cpp
+++ b/src/initialize.cpp
@@ -106,7 +106,8 @@ int openmc_init(int argc, char* argv[], const void* intracomm)
   openmc::openmc_set_seed(DEFAULT_SEED);
 
   // Read XML input files
-  if (!read_model_xml()) read_separate_xml_files();
+  if (!read_model_xml())
+    read_separate_xml_files();
 
   // Write some initial output under the header if needed
   initial_output();
@@ -299,7 +300,8 @@ int parse_command_line(int argc, char* argv[])
   return 0;
 }
 
-bool read_model_xml() {
+bool read_model_xml()
+{
   std::string model_filename =
     settings::path_input.empty() ? "." : settings::path_input;
 
@@ -314,7 +316,8 @@ bool read_model_xml() {
     model_filename += "/model.xml";
 
   // if this file doesn't exist, stop here
-  if (!file_exists(model_filename)) return false;
+  if (!file_exists(model_filename))
+    return false;
 
   // try to process the path input as an XML file
   pugi::xml_document doc;
@@ -327,7 +330,7 @@ bool read_model_xml() {
 
   // Read settings
   if (!check_for_node(root, "settings")) {
-      fatal_error("No <settings> node present in the model.xml file.");
+    fatal_error("No <settings> node present in the model.xml file.");
   }
   auto settings_root = root.child("settings");
 
@@ -343,13 +346,15 @@ bool read_model_xml() {
       title();
   }
 
-  write_message(fmt::format("Reading model XML file '{}' ...", model_filename), 5);
+  write_message(
+    fmt::format("Reading model XML file '{}' ...", model_filename), 5);
 
   read_settings_xml(settings_root);
 
   // If other XML files are present, display warning
   // that they will be ignored
-  auto other_inputs = {"materials.xml", "geometry.xml", "settings.xml", "tallies.xml", "plots.xml"};
+  auto other_inputs = {"materials.xml", "geometry.xml", "settings.xml",
+    "tallies.xml", "plots.xml"};
   for (const auto& input : other_inputs) {
     if (file_exists(settings::path_input + input)) {
       warning((fmt::format("Other XML file input(s) are present. These files "
@@ -384,7 +389,7 @@ bool read_model_xml() {
   if (check_for_node(root, "tallies"))
     read_tallies_xml(root.child("tallies"));
 
- // Initialize distribcell_filters
+  // Initialize distribcell_filters
   prepare_distribcell();
 
   if (check_for_node(root, "plots"))
@@ -415,7 +420,8 @@ void read_separate_xml_files()
   read_plots_xml();
 }
 
-void initial_output() {
+void initial_output()
+{
   // write initial output
   if (settings::run_mode == RunMode::PLOTTING) {
     // Read plots.xml if it exists
diff --git a/src/mesh.cpp b/src/mesh.cpp
index ffe239015..121ca1f8a 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -207,24 +207,22 @@ Position UnstructuredMesh::sample_tet(
   // (2000) Generating Random Points in a Tetrahedron, Journal of Graphics
   // Tools, 5:4, 9-12, DOI: 10.1080/10867651.2000.10487528
   if (s + t > 1) {
-      s = 1.0 - s;
-      t = 1.0 - t;
+    s = 1.0 - s;
+    t = 1.0 - t;
   }
   if (s + t + u > 1) {
     if (t + u > 1) {
       double old_t = t;
       t = 1.0 - u;
       u = 1.0 - s - old_t;
-    }else if (t + u <= 1) {
+    } else if (t + u <= 1) {
       double old_s = s;
       s = 1.0 - t - u;
       u = old_s + t + u - 1;
     }
   }
-  return s*(coords[1]-coords[0])
-    + t*(coords[2]-coords[0])
-    + u*(coords[3]-coords[0])
-    + coords[0];
+  return s * (coords[1] - coords[0]) + t * (coords[2] - coords[0]) +
+         u * (coords[3] - coords[0]) + coords[0];
 }
 
 const std::string UnstructuredMesh::mesh_type = "unstructured";
@@ -268,8 +266,8 @@ void UnstructuredMesh::to_hdf5(hid_t group) const
 
   // write element types and connectivity
   vector<double> volumes;
-  xt::xtensor<int, 2> connectivity ({static_cast<size_t>(this->n_bins()), 8});
-  xt::xtensor<int, 2> elem_types ({static_cast<size_t>(this->n_bins()), 1});
+  xt::xtensor<int, 2> connectivity({static_cast<size_t>(this->n_bins()), 8});
+  xt::xtensor<int, 2> elem_types({static_cast<size_t>(this->n_bins()), 1});
   for (int i = 0; i < this->n_bins(); i++) {
     auto conn = this->connectivity(i);
 
@@ -277,17 +275,20 @@ void UnstructuredMesh::to_hdf5(hid_t group) const
 
     // write linear tet element
     if (conn.size() == 4) {
-      xt::view(elem_types, i, xt::all()) = static_cast<int>(ElementType::LINEAR_TET);
-      xt::view(connectivity, i, xt::all()) = xt::xarray<int>({conn[0], conn[1], conn[2], conn[3],
-                                                              -1, -1, -1, -1});
-    // write linear hex element
+      xt::view(elem_types, i, xt::all()) =
+        static_cast<int>(ElementType::LINEAR_TET);
+      xt::view(connectivity, i, xt::all()) =
+        xt::xarray<int>({conn[0], conn[1], conn[2], conn[3], -1, -1, -1, -1});
+      // write linear hex element
     } else if (conn.size() == 8) {
-      xt::view(elem_types, i, xt::all()) = static_cast<int>(ElementType::LINEAR_HEX);
-      xt::view(connectivity, i, xt::all()) = xt::xarray<int>({conn[0], conn[1], conn[2], conn[3],
-                                                              conn[4], conn[5], conn[6], conn[7]});
+      xt::view(elem_types, i, xt::all()) =
+        static_cast<int>(ElementType::LINEAR_HEX);
+      xt::view(connectivity, i, xt::all()) = xt::xarray<int>({conn[0], conn[1],
+        conn[2], conn[3], conn[4], conn[5], conn[6], conn[7]});
     } else {
       num_elem_skipped++;
-      xt::view(elem_types, i, xt::all()) = static_cast<int>(ElementType::UNSUPPORTED);
+      xt::view(elem_types, i, xt::all()) =
+        static_cast<int>(ElementType::UNSUPPORTED);
       xt::view(connectivity, i, xt::all()) = -1;
     }
   }
@@ -1873,7 +1874,6 @@ void MOABMesh::initialize()
     fatal_error("Failed to get all vertex handles");
   }
 
-
   // make an entity set for all tetrahedra
   // this is used for convenience later in output
   rval = mbi_->create_meshset(moab::MESHSET_SET, tetset_);
@@ -2104,15 +2104,15 @@ std::string MOABMesh::library() const
 }
 
 // Sample position within a tet for MOAB type tets
-Position MOABMesh::sample(uint64_t* seed, int32_t bin) const {
+Position MOABMesh::sample(uint64_t* seed, int32_t bin) const
+{
 
   moab::EntityHandle tet_ent = get_ent_handle_from_bin(bin);
 
   // Get vertex coordinates for MOAB tet
   const moab::EntityHandle* conn1;
   int conn1_size;
-  moab::ErrorCode rval =
-    mbi_->get_connectivity(tet_ent, conn1, conn1_size);
+  moab::ErrorCode rval = mbi_->get_connectivity(tet_ent, conn1, conn1_size);
   if (rval != moab::MB_SUCCESS || conn1_size != 4) {
     fatal_error(fmt::format(
       "Failed to get tet connectivity or connectivity size ({}) is invalid.",
@@ -2132,7 +2132,6 @@ Position MOABMesh::sample(uint64_t* seed, int32_t bin) const {
   return this->sample_tet(tet_verts, seed);
 }
 
-
 double MOABMesh::tet_volume(moab::EntityHandle tet) const
 {
   vector<moab::EntityHandle> conn;
@@ -2253,10 +2252,12 @@ std::pair<vector<double>, vector<double>> MOABMesh::plot(
   return {};
 }
 
-int MOABMesh::get_vert_idx_from_handle(moab::EntityHandle vert) const {
+int MOABMesh::get_vert_idx_from_handle(moab::EntityHandle vert) const
+{
   int idx = vert - verts_[0];
   if (idx >= n_vertices()) {
-    fatal_error(fmt::format("Invalid vertex idx {} (# vertices {})", idx, n_vertices()));
+    fatal_error(
+      fmt::format("Invalid vertex idx {} (# vertices {})", idx, n_vertices()));
   }
   return idx;
 }
@@ -2328,11 +2329,13 @@ Position MOABMesh::centroid(int bin) const
   return {centroid[0], centroid[1], centroid[2]};
 }
 
-int MOABMesh::n_vertices() const {
+int MOABMesh::n_vertices() const
+{
   return verts_.size();
 }
 
-Position MOABMesh::vertex(int id) const {
+Position MOABMesh::vertex(int id) const
+{
 
   moab::ErrorCode rval;
 
@@ -2347,7 +2350,8 @@ Position MOABMesh::vertex(int id) const {
   return {coords[0], coords[1], coords[2]};
 }
 
-std::vector<int> MOABMesh::connectivity(int bin) const {
+std::vector<int> MOABMesh::connectivity(int bin) const
+{
   moab::ErrorCode rval;
 
   auto tet = get_ent_handle_from_bin(bin);
@@ -2501,14 +2505,15 @@ const std::string LibMesh::mesh_lib_type = "libmesh";
 
 LibMesh::LibMesh(pugi::xml_node node) : UnstructuredMesh(node)
 {
-  // filename_ and length_multiplier_ will already be set by the UnstructuredMesh constructor
+  // filename_ and length_multiplier_ will already be set by the
+  // UnstructuredMesh constructor
   set_mesh_pointer_from_filename(filename_);
   set_length_multiplier(length_multiplier_);
   initialize();
 }
 
 // create the mesh from a pointer to a libMesh Mesh
-LibMesh::LibMesh(libMesh::MeshBase & input_mesh, double length_multiplier)
+LibMesh::LibMesh(libMesh::MeshBase& input_mesh, double length_multiplier)
 {
   m_ = &input_mesh;
   set_length_multiplier(length_multiplier);
@@ -2586,7 +2591,8 @@ void LibMesh::initialize()
 }
 
 // Sample position within a tet for LibMesh type tets
-Position LibMesh::sample(uint64_t* seed, int32_t bin) const {
+Position LibMesh::sample(uint64_t* seed, int32_t bin) const
+{
   const auto& elem = get_element_from_bin(bin);
   // Get tet vertex coordinates from LibMesh
   std::array<Position, 4> tet_verts;
diff --git a/src/settings.cpp b/src/settings.cpp
index 310378517..1eceb5b3d 100644
--- a/src/settings.cpp
+++ b/src/settings.cpp
@@ -214,7 +214,8 @@ void get_run_parameters(pugi::xml_node node_base)
   }
 }
 
-void read_settings_xml() {
+void read_settings_xml()
+{
   using namespace settings;
   using namespace pugi;
   // Check if settings.xml exists
diff --git a/src/source.cpp b/src/source.cpp
index 2cb5632b3..5862a41e2 100644
--- a/src/source.cpp
+++ b/src/source.cpp
@@ -94,7 +94,7 @@ IndependentSource::IndependentSource(pugi::xml_node node)
         space_ = UPtrSpace {new CylindricalIndependent(node_space)};
       } else if (type == "spherical") {
         space_ = UPtrSpace {new SphericalIndependent(node_space)};
-      } else if (type =="mesh"){
+      } else if (type == "mesh") {
         space_ = UPtrSpace {new MeshSpatial(node_space)};
       } else if (type == "box") {
         space_ = UPtrSpace {new SpatialBox(node_space)};

From 124839796eeb9e17188423c631a2c672abd0bf39 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 13 Jan 2023 00:04:22 -0600
Subject: [PATCH 1496/2654] Updating test inputs for auto-generated material
 ID.

---
 .../unstructured_mesh/source_sampling/inputs_true0.dat          | 2 +-
 .../unstructured_mesh/source_sampling/inputs_true1.dat          | 2 +-
 2 files changed, 2 insertions(+), 2 deletions(-)

diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true0.dat b/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true0.dat
index dcb56d403..e50fc71ac 100644
--- a/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true0.dat
+++ b/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true0.dat
@@ -1125,7 +1125,7 @@
 </geometry>
 <?xml version='1.0' encoding='utf-8'?>
 <materials>
-  <material id="3" name="water">
+  <material id="1" name="water">
     <density units="atom/b-cm" value="0.07416" />
     <nuclide ao="2.0" name="H1" />
     <nuclide ao="1.0" name="O16" />
diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true1.dat b/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true1.dat
index 9e22063f1..b416ffb34 100644
--- a/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true1.dat
+++ b/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true1.dat
@@ -1125,7 +1125,7 @@
 </geometry>
 <?xml version='1.0' encoding='utf-8'?>
 <materials>
-  <material id="3" name="water">
+  <material id="1" name="water">
     <density units="atom/b-cm" value="0.07416" />
     <nuclide ao="2.0" name="H1" />
     <nuclide ao="1.0" name="O16" />

From 606457a1f0ed306fe6a90e1c1474e792b820df5c Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 13 Jan 2023 13:36:51 +0700
Subject: [PATCH 1497/2654] A few style fixes in material.py

---
 openmc/material.py | 10 ++++------
 1 file changed, 4 insertions(+), 6 deletions(-)

diff --git a/openmc/material.py b/openmc/material.py
index 7844ec131..29c01d146 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -416,10 +416,10 @@ class Material(IDManagerMixin):
                 self._atoms = volume_calc.atoms[self.id]
             else:
                 raise ValueError('No volume information found for material ID={}.'
-                    .format(self.id))
+                                 .format(self.id))
         else:
             raise ValueError('No volume information found for material ID={}.'
-                .format(self.id))
+                             .format(self.id))
 
     def set_density(self, units: str, density: Optional[float] = None):
         """Set the density of the material
@@ -531,11 +531,10 @@ class Material(IDManagerMixin):
 
             params['percent_type'] = percent_type
 
-            ## check if nuclide
+            # check if nuclide
             if not component.isalpha():
                 self.add_nuclide(component, **params)
-            else: # is element
-                kwargs = params
+            else:
                 self.add_element(component, **params)
 
     def remove_nuclide(self, nuclide: str):
@@ -1583,7 +1582,6 @@ class Materials(cv.CheckedList):
         if trailing_indent:
             file.write(indentation)
 
-
     def export_to_xml(self, path: PathLike = 'materials.xml'):
         """Export material collection to an XML file.
 

From bbe39dbc1b7a613ae3405af37e4125e5b137d701 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 13 Jan 2023 13:41:00 +0700
Subject: [PATCH 1498/2654] Added some missing versionadded directives

---
 openmc/executor.py | 12 +++++++++---
 openmc/material.py |  2 ++
 2 files changed, 11 insertions(+), 3 deletions(-)

diff --git a/openmc/executor.py b/openmc/executor.py
index 22862a7cf..accffd06a 100644
--- a/openmc/executor.py
+++ b/openmc/executor.py
@@ -41,7 +41,7 @@ def _process_CLI_arguments(volume=False, geometry_debug=False, particles=None,
         Path to OpenMC executable. Defaults to 'openmc'.
     mpi_args : list of str, optional
         MPI execute command and any additional MPI arguments to pass,
-        e.g. ['mpiexec', '-n', '8'].
+        e.g., ['mpiexec', '-n', '8'].
     path_input : str or Pathlike
         Path to a single XML file or a directory containing XML files for the
         OpenMC executable to read.
@@ -139,6 +139,8 @@ def plot_geometry(output=True, openmc_exec='openmc', cwd='.', path_input=None):
         Path to a single XML file or a directory containing XML files for the
         OpenMC executable to read.
 
+        .. versionadded:: 0.13.3
+
     Raises
     ------
     RuntimeError
@@ -171,6 +173,8 @@ def plot_inline(plots, openmc_exec='openmc', cwd='.', path_input=None):
         Path to a single XML file or a directory containing XML files for the
         OpenMC executable to read.
 
+        .. versionadded:: 0.13.3
+
     Raises
     ------
     RuntimeError
@@ -222,7 +226,7 @@ def calculate_volumes(threads=None, output=True, cwd='.',
         Path to OpenMC executable. Defaults to 'openmc'.
     mpi_args : list of str, optional
         MPI execute command and any additional MPI arguments to pass,
-        e.g. ['mpiexec', '-n', '8'].
+        e.g., ['mpiexec', '-n', '8'].
     cwd : str, optional
         Path to working directory to run in. Defaults to the current working
         directory.
@@ -280,7 +284,7 @@ def run(particles=None, threads=None, geometry_debug=False,
     openmc_exec : str, optional
         Path to OpenMC executable. Defaults to 'openmc'.
     mpi_args : list of str, optional
-        MPI execute command and any additional MPI arguments to pass, e.g.
+        MPI execute command and any additional MPI arguments to pass, e.g.,
         ['mpiexec', '-n', '8'].
     event_based : bool, optional
         Turns on event-based parallelism, instead of default history-based
@@ -291,6 +295,8 @@ def run(particles=None, threads=None, geometry_debug=False,
         Path to a single XML file or a directory containing XML files for the
         OpenMC executable to read.
 
+        .. versionadded:: 0.13.3
+
     Raises
     ------
     RuntimeError
diff --git a/openmc/material.py b/openmc/material.py
index 29c01d146..a213a53fd 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -352,6 +352,8 @@ class Material(IDManagerMixin):
         on this string. The name and material_id parameters are simply passed on
         to the Material constructor.
 
+        .. versionadded:: 0.13.3
+
         Parameters
         ----------
         cfg : str

From f92515d6f2152b4a04e75c911a03abcd23ffb598 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 13 Jan 2023 08:45:48 -0600
Subject: [PATCH 1499/2654] Correcting sampling unit test

---
 tests/unit_tests/test_source_mesh.py | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/tests/unit_tests/test_source_mesh.py b/tests/unit_tests/test_source_mesh.py
index 34f84f450..d50e85e3f 100644
--- a/tests/unit_tests/test_source_mesh.py
+++ b/tests/unit_tests/test_source_mesh.py
@@ -139,6 +139,6 @@ def test_unstructured_mesh_sampling(model, request, test_cases):
             exp_vals = strengths.reshape(-1, 12).sum(axis=1) / sum(strengths)
 
         diff = np.abs(mean - exp_vals)
-        assert((diff < 2*std_dev).sum() / diff[:10].size >= 0.95)
-        assert((diff < 6*std_dev).sum() / diff.size >= 0.97)
+        assert((diff < 2*std_dev).sum() / diff.size >= 0.95)
+        assert((diff < 6*std_dev).sum() / diff.size >= 0.997)
 

From 17c836731e793dcf250cb45f539bb428eb7cda8a Mon Sep 17 00:00:00 2001
From: Patrick A Myers <myerspat@caen-vnc-mi12.engin.umich.edu>
Date: Fri, 13 Jan 2023 10:47:56 -0500
Subject: [PATCH 1500/2654] added cmake option for building tests

---
 CMakeLists.txt | 10 +++++++---
 1 file changed, 7 insertions(+), 3 deletions(-)

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 655ff4a6f..51db85207 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -31,6 +31,7 @@ endif()
 #===============================================================================
 
 option(OPENMC_USE_OPENMP      "Enable shared-memory parallelism with OpenMP"         ON)
+option(OPENMC_BUILD_TESTS     "Build tests"                                          ON)
 option(OPENMC_ENABLE_PROFILE  "Compile with profiling flags"                         OFF)
 option(OPENMC_ENABLE_COVERAGE "Compile with coverage analysis flags"                 OFF)
 option(OPENMC_USE_DAGMC       "Enable support for DAGMC (CAD) geometry"              OFF)
@@ -288,9 +289,12 @@ endif()
 #===============================================================================
 # Catch2 library
 #===============================================================================
-find_package_write_status(Catch2)
-if (NOT Catch2)
-  add_subdirectory(vendor/Catch2)
+
+if(OPENMC_BUILD_TESTS)
+  find_package_write_status(Catch2)
+  if (NOT Catch2)
+    add_subdirectory(vendor/Catch2)
+  endif()
 endif()
 
 #===============================================================================

From 8cbcf23b8d0d8343dafef95609a55b3fe67325fb Mon Sep 17 00:00:00 2001
From: Patrick A Myers <myerspat@caen-vnc-mi12.engin.umich.edu>
Date: Fri, 13 Jan 2023 10:50:03 -0500
Subject: [PATCH 1501/2654] added option for build tests to linking tests
 library

---
 CMakeLists.txt | 8 +++++---
 1 file changed, 5 insertions(+), 3 deletions(-)

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 51db85207..11ae71ac6 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -516,9 +516,11 @@ if (OPENMC_USE_MPI)
   target_link_libraries(libopenmc MPI::MPI_CXX)
 endif()
 
-# Add cpp tests directory
-include(CTest)
-add_subdirectory(tests/cpp_unit_tests)
+if (OPENMC_BUILD_TESTS)
+  # Add cpp tests directory
+  include(CTest)
+  add_subdirectory(tests/cpp_unit_tests)
+endif()
 
 if (OPENMC_USE_MCPL)
   target_compile_definitions(libopenmc PUBLIC OPENMC_MCPL)

From 8288b558226e3b729ffe04fc02b7a88d9d64cc2b Mon Sep 17 00:00:00 2001
From: Patrick A Myers <myerspat@caen-vnc-mi12.engin.umich.edu>
Date: Fri, 13 Jan 2023 10:53:18 -0500
Subject: [PATCH 1502/2654] moved make after environment variable

---
 .github/workflows/ci.yml | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index 8b9a7d7a0..687753963 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -125,7 +125,7 @@ jobs:
       - name: test
         shell: bash
         run: |
-          make CTEST_OUTPUT_ON_FAILURE=1 test -C $GITHUB_WORKSPACE/build/
+          CTEST_OUTPUT_ON_FAILURE=1 make test -C $GITHUB_WORKSPACE/build/
           $GITHUB_WORKSPACE/tools/ci/gha-script.sh
 
       - name: after_success

From ff9b5fd74141b0f24676136f5ebec7a69f347ac1 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 13 Jan 2023 10:24:05 -0600
Subject: [PATCH 1503/2654] Adding not about moving the mesh cdf in the future.

---
 include/openmc/distribution_spatial.h | 2 ++
 1 file changed, 2 insertions(+)

diff --git a/include/openmc/distribution_spatial.h b/include/openmc/distribution_spatial.h
index 78fb316db..8840b0539 100644
--- a/include/openmc/distribution_spatial.h
+++ b/include/openmc/distribution_spatial.h
@@ -115,6 +115,8 @@ public:
 private:
   int32_t mesh_idx_ {C_NONE};
   double total_strength_ {0.0};
+  // TODO: move to an independent class in the future that's similar
+  // to a discrete distribution without outcomes
   std::vector<double> mesh_CDF_;
   std::vector<double> mesh_strengths_;
 };

From 9313f809a471f4b7050057f1179e42252089cb22 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 13 Jan 2023 10:34:30 -0600
Subject: [PATCH 1504/2654] Adding a tally to the unstructured mesh regression
 test.

---
 .../source_sampling/inputs_true0.dat          |   15 +
 .../source_sampling/inputs_true1.dat          |   15 +
 .../source_sampling/results_true.dat          | 2001 +++++++++++++++++
 .../unstructured_mesh/source_sampling/test.py |   11 +-
 4 files changed, 2041 insertions(+), 1 deletion(-)

diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true0.dat b/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true0.dat
index e50fc71ac..986d80054 100644
--- a/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true0.dat
+++ b/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true0.dat
@@ -1148,3 +1148,18 @@
     <filename>test_mesh_tets.e</filename>
   </mesh>
 </settings>
+<?xml version='1.0' encoding='utf-8'?>
+<tallies>
+  <mesh id="10">
+    <dimension>10 10 10</dimension>
+    <lower_left>-10 -10 -10</lower_left>
+    <width>2 2 2</width>
+  </mesh>
+  <filter id="1" type="mesh">
+    <bins>10</bins>
+  </filter>
+  <tally id="1">
+    <filters>1</filters>
+    <scores>flux</scores>
+  </tally>
+</tallies>
diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true1.dat b/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true1.dat
index b416ffb34..38d5aa497 100644
--- a/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true1.dat
+++ b/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true1.dat
@@ -1148,3 +1148,18 @@
     <filename>test_mesh_tets.e</filename>
   </mesh>
 </settings>
+<?xml version='1.0' encoding='utf-8'?>
+<tallies>
+  <mesh id="10">
+    <dimension>10 10 10</dimension>
+    <lower_left>-10 -10 -10</lower_left>
+    <width>2 2 2</width>
+  </mesh>
+  <filter id="1" type="mesh">
+    <bins>10</bins>
+  </filter>
+  <tally id="1">
+    <filters>1</filters>
+    <scores>flux</scores>
+  </tally>
+</tallies>
diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/results_true.dat b/tests/regression_tests/unstructured_mesh/source_sampling/results_true.dat
index e69de29bb..2a4e11d06 100644
--- a/tests/regression_tests/unstructured_mesh/source_sampling/results_true.dat
+++ b/tests/regression_tests/unstructured_mesh/source_sampling/results_true.dat
@@ -0,0 +1,2001 @@
+tally 1:
+1.593417E+00
+1.270534E+00
+6.435684E-01
+2.112550E-01
+1.658901E-01
+1.600397E-02
+1.283617E-02
+8.238393E-05
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+3.437438E-01
+5.945848E-02
+1.616140E-01
+1.856954E-02
+1.615653E-01
+1.561656E-02
+4.938536E-02
+1.239963E-03
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+1.113048E-01
+6.215464E-03
+4.271852E-02
+1.824872E-03
+1.761175E-02
+1.760674E-04
+1.205084E-01
+1.054273E-02
+6.127572E-02
+1.996189E-03
+1.652343E-02
+2.730237E-04
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+2.960809E-02
+6.146617E-04
+4.470296E-02
+1.998355E-03
+6.648900E-03
+4.420787E-05
+2.239550E-02
+4.238383E-04
+6.025002E-02
+3.246093E-03
+4.429460E-02
+1.476567E-03
+2.292967E-02
+5.257698E-04
+1.155621E-02
+1.335461E-04
+0.000000E+00
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+2.006629E-02
+4.026559E-04
+1.373329E-02
+1.886032E-04
+2.885571E-02
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+0.000000E+00
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+1.729655E-02
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+0.000000E+00
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+1.137346E-02
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+0.000000E+00
+0.000000E+00
+2.099115E-02
+4.406282E-04
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+1.181004E-02
+1.394771E-04
+1.200573E-02
+1.441375E-04
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+2.737885E-03
+7.496015E-06
+0.000000E+00
+0.000000E+00
+2.582846E-02
+6.671093E-04
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+2.669493E-02
+7.126192E-04
+1.193971E-02
+9.099511E-05
+9.937766E-03
+9.875918E-05
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+1.044477E-02
+1.090932E-04
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+1.437034E-02
+2.065067E-04
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+2.337119E-02
+5.462125E-04
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+6.140183E-03
+3.770184E-05
diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/test.py b/tests/regression_tests/unstructured_mesh/source_sampling/test.py
index 35b3be63e..d6f16315a 100644
--- a/tests/regression_tests/unstructured_mesh/source_sampling/test.py
+++ b/tests/regression_tests/unstructured_mesh/source_sampling/test.py
@@ -38,6 +38,14 @@ def model():
 
     geometry = openmc.Geometry([root_cell])
 
+    ### Tallies ###
+
+    # create a mesh flux tally
+    tally = openmc.Tally()
+    tally.filters.append(openmc.MeshFilter(regular_mesh))
+    tally.scores = ['flux']
+    tallies = openmc.Tallies([tally])
+
     ### Settings ###
     settings = openmc.Settings()
     settings.run_mode = 'fixed source'
@@ -68,7 +76,8 @@ def model():
     settings.source = source
     return openmc.model.Model(geometry=geometry,
                               materials=materials,
-                              settings=settings)
+                              settings=settings,
+                              tallies=tallies)
 
 
 test_cases = [

From beb3085469581fb7d6954f82f1442c7efcf74518 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 13 Jan 2023 12:24:24 -0600
Subject: [PATCH 1505/2654] Changing to const Mesh*

---
 include/openmc/distribution_spatial.h | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/include/openmc/distribution_spatial.h b/include/openmc/distribution_spatial.h
index 8840b0539..dda23927e 100644
--- a/include/openmc/distribution_spatial.h
+++ b/include/openmc/distribution_spatial.h
@@ -108,7 +108,7 @@ public:
   //! \return Sampled position
   Position sample(uint64_t* seed) const;
 
-  const unique_ptr<Mesh>& mesh() const { return model::meshes.at(mesh_idx_); }
+  const Mesh* mesh() const { return model::meshes.at(mesh_idx_).get(); }
 
   int32_t n_sources() const { return this->mesh()->n_bins(); }
 

From 4122c02ad4955e34774db35c37c928d8a693e1f0 Mon Sep 17 00:00:00 2001
From: Patrick A Myers <myerspat@caen-vnc-mi12.engin.umich.edu>
Date: Fri, 13 Jan 2023 16:50:50 -0500
Subject: [PATCH 1506/2654] change p to prob and fix alias table

---
 include/openmc/distribution.h |  8 ++++----
 src/distribution.cpp          | 38 +++++++++++++++++------------------
 2 files changed, 23 insertions(+), 23 deletions(-)

diff --git a/include/openmc/distribution.h b/include/openmc/distribution.h
index 4519c285b..8563ee031 100644
--- a/include/openmc/distribution.h
+++ b/include/openmc/distribution.h
@@ -47,13 +47,13 @@ public:
 
   // Properties
   const vector<double>& x() const { return x_; }
-  const vector<double>& p() const { return p_; }
+  const vector<double>& prob() const { return prob_; }
   const vector<size_t>& alias() const { return alias_; }
 
 private:
-  vector<double> x_; //!< Possible outcomes
-  vector<double>
-    p_; //!< Probability of each outcome, mapped to alias method table
+  vector<double> x_;    //!< Possible outcomes
+  vector<double> prob_; //!< Probability of accepting the uniformly sampled bin,
+                        //!< mapped to alias method table
   vector<size_t> alias_; //!< Alias table
 
   //! Normalize distribution so that probabilities sum to unity
diff --git a/src/distribution.cpp b/src/distribution.cpp
index 4634aa9d6..50913dfe4 100644
--- a/src/distribution.cpp
+++ b/src/distribution.cpp
@@ -1,6 +1,7 @@
 #include "openmc/distribution.h"
 
 #include <algorithm> // for copy
+#include <array>
 #include <cmath>     // for sqrt, floor, max
 #include <iterator>  // for back_inserter
 #include <numeric>   // for accumulate
@@ -26,34 +27,33 @@ Discrete::Discrete(pugi::xml_node node)
   auto params = get_node_array<double>(node, "parameters");
 
   std::size_t n = params.size();
-  std::copy(params.begin(), params.begin() + n / 2, std::back_inserter(x_));
-  std::copy(params.begin() + n / 2, params.end(), std::back_inserter(p_));
+  double x[n / 2], p[n / 2];
 
-  // Initialize alias tables
-  init_alias();
+  std::copy(params.begin(), params.begin() + n / 2, x);
+  std::copy(params.begin() + n / 2, params.end(), p);
+
+  new (this) Discrete(x, p, n / 2);
 }
 
 Discrete::Discrete(const double* x, const double* p, int n)
-  : x_ {x, x + n}, p_ {p, p + n}
+  : x_ {x, x + n}, prob_ {p, p + n}
 {
-  // Initialize alias tables
-  init_alias();
-}
-
-void Discrete::init_alias() {
   normalize();
 
+  // The initialization and sampling method is base on Vose
+  // (DOI: 10.1109/32.92917)
   // Vectors for large and small probabilities based on 1/n
   vector<size_t> large;
   vector<size_t> small;
 
   // Set and allocate memory
-  alias_.reserve(x_.size());
+  vector<size_t> alias(x_.size(), 0);
+  alias_ = alias;
 
   // Fill large and small vectors based on 1/n
-  for (int i = 0; i < x_.size(); i++) {
-    p_[i] *= x_.size();
-    if (p_[i] > 1.0) {
+  for (size_t i = 0; i < x_.size(); i++) {
+    prob_[i] *= x_.size();
+    if (prob_[i] > 1.0) {
       large.push_back(i);
     } else {
       small.push_back(i);
@@ -68,11 +68,11 @@ void Discrete::init_alias() {
     small.pop_back();
 
     // Update probability and alias based on Vose's algorithm
-    p_[k] += p_[j] - 1.0;
+    prob_[k] += prob_[j] - 1.0;
     alias_[j] = k;
 
     // Move large index to small vector, if it is no longer large
-    if (p_[k] < 1.0) {
+    if (prob_[k] < 1.0) {
       small.push_back(k);
       large.pop_back();
     }
@@ -85,7 +85,7 @@ double Discrete::sample(uint64_t* seed) const
   int n = x_.size();
   if (n > 1) {
     int u = prn(seed) * n;
-    if (prn(seed) < p_[u]) {
+    if (prn(seed) < prob_[u]) {
       return x_[u];
     } else {
       return x_[alias_[u]];
@@ -98,8 +98,8 @@ double Discrete::sample(uint64_t* seed) const
 void Discrete::normalize()
 {
   // Renormalize density function so that it sums to unity
-  double norm = std::accumulate(p_.begin(), p_.end(), 0.0);
-  for (auto& p_i : p_) {
+  double norm = std::accumulate(prob_.begin(), prob_.end(), 0.0);
+  for (auto& p_i : prob_) {
     p_i /= norm;
   }
 }

From d0e071be94828c5d71a1e698d08657da8d7cd21f Mon Sep 17 00:00:00 2001
From: Patrick A Myers <myerspat@caen-vnc-mi12.engin.umich.edu>
Date: Fri, 13 Jan 2023 16:51:13 -0500
Subject: [PATCH 1507/2654] update tests to be more robust

---
 tests/cpp_unit_tests/test_distribution.cpp | 61 ++++++++++++++--------
 1 file changed, 38 insertions(+), 23 deletions(-)

diff --git a/tests/cpp_unit_tests/test_distribution.cpp b/tests/cpp_unit_tests/test_distribution.cpp
index d95dee498..a5166fb25 100644
--- a/tests/cpp_unit_tests/test_distribution.cpp
+++ b/tests/cpp_unit_tests/test_distribution.cpp
@@ -1,14 +1,14 @@
 #include "openmc/distribution.h"
 #include "openmc/random_lcg.h"
 #include <catch2/catch_test_macros.hpp>
+#include <catch2/catch_approx.hpp>
 #include <pugixml.hpp>
 
 TEST_CASE("Test alias method sampling of a discrete distribution")
 {
-  int n_samples = 1e6;
+  constexpr int n_samples = 1000000;
   double x[5] = {-1.6, 1.1, 20.3, 4.7, 0.9};
-  double p[5] = {0.2, 0.1, 0.5, 0.05, 0.15};
-  double samples[n_samples];
+  double p[5] = {0.2, 0.1, 0.65, 0.02, 0.03};
 
   // Initialize distribution
   openmc::Discrete dist(x, p, 5);
@@ -20,24 +20,31 @@ TEST_CASE("Test alias method sampling of a discrete distribution")
     mean += x[i] * p[i];
   }
 
-  // Sample distribution and calculate mean
+  // Sample distribution and calculate mean, standard deviation, and number of
+  // x[0] sampled
   double dist_mean = 0.0;
-  for (size_t i = 0; i < n_samples; i++) {
-    samples[i] = dist.sample(&seed);
-    dist_mean += samples[i];
-  }
-  dist_mean /= n_samples;
-
-  // Calculate standard deviation
   double std = 0.0;
-  for (size_t i = 0; i < n_samples; i++) {
-    std += (samples[i] - dist_mean) * (samples[i] - dist_mean);
-  }
-  std /= n_samples;
+  int counter = 0;
 
-  // Require sampled distribution mean is within 3 standard deviations of the
+  for (size_t i = 0; i < n_samples; i++) {
+    auto sample = dist.sample(&seed);
+    std += sample * sample / n_samples;
+    dist_mean += sample;
+
+    if (sample == x[0])
+      counter++;
+  }
+
+  dist_mean /= n_samples;
+  std -= dist_mean * dist_mean;
+
+  // Require sampled distribution mean is within 4 standard deviations of the
   // expected mean
   REQUIRE(std::abs(dist_mean - mean) < 4 * std);
+
+  // Require counter of number of x[0] is within 4 standard deviations of
+  // 200,000
+  REQUIRE(std::abs(counter - n_samples * p[0]) < 4 * std);
 }
 
 TEST_CASE("Test alias sampling method for pugixml constructor")
@@ -47,17 +54,25 @@ TEST_CASE("Test alias sampling method for pugixml constructor")
   pugi::xml_node energy = doc.append_child("energy");
   pugi::xml_node parameters = energy.append_child("parameters");
   parameters.append_child(pugi::node_pcdata)
-    .set_value("17140457.745328166 1.0");
+    .set_value("800 500000 30000 0.1 0.6 0.3");
 
   // Initialize discrete distribution and seed
   openmc::Discrete dist(energy);
   uint64_t seed = openmc::init_seed(0, 0);
+  auto sample = dist.sample(&seed);
 
   // Assertions
-  REQUIRE(dist.x().size() == 1);
-  REQUIRE(dist.p().size() == 1);
-  REQUIRE(dist.alias().size() == 0);
-  REQUIRE(dist.x()[0] == 17140457.745328166);
-  REQUIRE(dist.p()[0] == 1.0);
-  REQUIRE(dist.sample(&seed) == 17140457.745328166);
+  REQUIRE(dist.x().size() == 3);
+  REQUIRE(dist.prob().size() == 3);
+  REQUIRE(dist.alias().size() == 3);
+
+  openmc::vector<double> correct_x = {800, 500000, 30000};
+  openmc::vector<double> correct_prob = {0.3, 1.0, 0.9};
+  openmc::vector<size_t> correct_alias = {1, 0, 1};
+
+  for (size_t i = 0; i < 3; i++) {
+    REQUIRE(dist.x()[i] == correct_x[i]);
+    REQUIRE(dist.prob()[i] == Catch::Approx(correct_prob[i]).epsilon(1e-12));
+    REQUIRE(dist.alias()[i] == correct_alias[i]);
+  }
 }

From 06e6d5d347fd6e3d0833bc3e3a194940d3edfcb8 Mon Sep 17 00:00:00 2001
From: josh <josh@radiantnuclear.com>
Date: Tue, 17 Jan 2023 02:42:40 +0000
Subject: [PATCH 1508/2654] add dagmc testing

---
 tests/unit_tests/test_universe.py | 23 ++++++++++++++++++++++-
 1 file changed, 22 insertions(+), 1 deletion(-)

diff --git a/tests/unit_tests/test_universe.py b/tests/unit_tests/test_universe.py
index 39d1eec21..26b7779a7 100644
--- a/tests/unit_tests/test_universe.py
+++ b/tests/unit_tests/test_universe.py
@@ -107,11 +107,13 @@ def test_clone():
     c2.fill = openmc.Material()
     c3 = openmc.Cell()
     u1 = openmc.Universe(name='cool', cells=(c1, c2, c3))
+    u1.volume = 1.
 
     u2 = u1.clone()
     assert u2.name == u1.name
     assert u2.cells != u1.cells
     assert u2.get_all_materials() != u1.get_all_materials()
+    assert u2.volume == u1.volume
 
     u2 = u1.clone(clone_materials=False)
     assert u2.get_all_materials() == u1.get_all_materials()
@@ -120,14 +122,33 @@ def test_clone():
     assert next(iter(u3.cells.values())).region ==\
          next(iter(u1.cells.values())).region
 
-    dagmc_u = openmc.DAGMCUniverse(filename="")
+    # Change attributes, make sure clone stays intact
+    u1.volume = 2.
+    u1.name = "different name"
+    assert u3.volume != u1.volume
+    assert u3.name != u1.name
+
+    # Test cloning a DAGMC universe
+    dagmc_u = openmc.DAGMCUniverse(filename="", name="DAGMC universe")
+    dagmc_u.volume = 1.
     dagmc_u.auto_geom_ids = True
     dagmc_u.auto_mat_ids = True
     dagmc_u1 = dagmc_u.clone()
     assert dagmc_u1.name == dagmc_u.name
+    assert dagmc_u1.volume == dagmc_u.volume
     assert dagmc_u1.auto_geom_ids == dagmc_u.auto_geom_ids
     assert dagmc_u1.auto_mat_ids == dagmc_u.auto_mat_ids
 
+    # Change attributes, check the clone remained intact
+    dagmc_u.name = "another name"
+    dagmc_u.auto_geom_ids = False
+    dagmc_u.auto_mat_ids = False
+    dagmc_u.volume = 2.
+    assert dagmc_u1.name != dagmc_u.name
+    assert dagmc_u1.volume != dagmc_u.volume
+    assert dagmc_u1.auto_geom_ids != dagmc_u.auto_geom_ids
+    assert dagmc_u1.auto_mat_ids != dagmc_u.auto_mat_ids
+
 
 def test_create_xml(cell_with_lattice):
     cells = [openmc.Cell() for i in range(5)]

From 3d6179fa32a1b07d2fc860158c77bb550da0ee73 Mon Sep 17 00:00:00 2001
From: josh <josh@radiantnuclear.com>
Date: Tue, 17 Jan 2023 02:43:02 +0000
Subject: [PATCH 1509/2654] remove try/except for class-specific 'deepcopy'

---
 openmc/universe.py | 34 ++++++++++++++++++++++++++--------
 1 file changed, 26 insertions(+), 8 deletions(-)

diff --git a/openmc/universe.py b/openmc/universe.py
index 15bea0ba9..8babddfeb 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -1,6 +1,7 @@
 from abc import ABC, abstractmethod
 from collections import OrderedDict
 from collections.abc import Iterable
+from copy import deepcopy
 from numbers import Integral, Real
 from pathlib import Path
 from tempfile import TemporaryDirectory
@@ -110,6 +111,12 @@ class UniverseBase(ABC, IDManagerMixin):
 
         """
 
+    def _deepcopy_universe_for_clone(self):
+        """Deepcopy an openmc.UniverseBase object. This is a paceholder for any future classes inherited from this one.
+        This should only to be used within the openmc.UniverseBase.clone() context.
+        """
+        return deepcopy(self)
+
     def clone(self, clone_materials=True, clone_regions=True, memo=None):
         """Create a copy of this universe with a new unique ID, and clones
         all cells within this universe.
@@ -137,14 +144,7 @@ class UniverseBase(ABC, IDManagerMixin):
 
         # If no memoize'd clone exists, instantiate one
         if self not in memo:
-            clone = openmc.Universe(name=self.name)
-            clone.volume = self.volume
-            # Try to set DAGMCUniverse-specific attributes on the clone
-            try:
-                clone.auto_geom_ids = self.auto_geom_ids
-                clone.auto_mat_ids = self.auto_mat_ids
-            except AttributeError:
-                pass
+            clone = self._deepcopy_universe_for_clone()
 
             # Clone all cells for the universe clone
             clone._cells = OrderedDict()
@@ -616,6 +616,14 @@ class Universe(UniverseBase):
             if not instances_only:
                 cell._paths.append(cell_path)
 
+    def _deepcopy_universe_for_clone(self):
+        """Clone all of the openmc.Universe object's attributes except for its cells, as they will be handled within the clone function.
+        This should only to be used within the openmc.UniverseBase.clone() context and is more performant than a deepcopy.
+        """
+        clone = openmc.Universe(name=self.name)
+        clone.volume = self.volume
+        return clone
+
 
 class DAGMCUniverse(UniverseBase):
     """A reference to a DAGMC file to be used in the model.
@@ -952,3 +960,13 @@ class DAGMCUniverse(UniverseBase):
         out.auto_mat_ids = bool(elem.get('auto_mat_ids'))
 
         return out
+
+    def _deepcopy_universe_for_clone(self):
+        """Clone all of the openmc.DAGMCUniverse object's attributes except for its cells, as they will be handled within the clone function.
+        This should only to be used within the openmc.UniverseBase.clone() context and is more performant than a deepcopy.
+        """
+        clone = openmc.DAGMCUniverse(name=self.name, filename=self.filename)
+        clone.volume = self.volume
+        clone.auto_geom_ids = self.auto_geom_ids
+        clone.auto_mat_ids = self.auto_mat_ids
+        return clone
\ No newline at end of file

From d4a940d44d9fde91fca7a1dd950976795b5e1f9c Mon Sep 17 00:00:00 2001
From: April Novak <novak@berkeley.edu>
Date: Tue, 17 Jan 2023 10:59:53 -0800
Subject: [PATCH 1510/2654] Remove unused dagmc settings parameter. Refs #2353

---
 tests/regression_tests/dagmc/legacy/test.py | 2 --
 tests/regression_tests/dagmc/refl/test.py   | 2 --
 tests/regression_tests/dagmc/uwuw/test.py   | 2 --
 3 files changed, 6 deletions(-)

diff --git a/tests/regression_tests/dagmc/legacy/test.py b/tests/regression_tests/dagmc/legacy/test.py
index 502775148..36da44808 100644
--- a/tests/regression_tests/dagmc/legacy/test.py
+++ b/tests/regression_tests/dagmc/legacy/test.py
@@ -26,8 +26,6 @@ def model():
 
     model.settings.source = source
 
-    model.settings.dagmc = True
-
     # geometry
     dag_univ = openmc.DAGMCUniverse(Path("dagmc.h5m"))
     model.geometry = openmc.Geometry(dag_univ)
diff --git a/tests/regression_tests/dagmc/refl/test.py b/tests/regression_tests/dagmc/refl/test.py
index 3fe41345c..5afc1a7a2 100644
--- a/tests/regression_tests/dagmc/refl/test.py
+++ b/tests/regression_tests/dagmc/refl/test.py
@@ -23,8 +23,6 @@ class UWUWTest(PyAPITestHarness):
                                          [ 4,  4,  4]))
         model.settings.source = source
 
-        model.settings.dagmc = True
-
         model.settings.export_to_xml()
 
         # geometry
diff --git a/tests/regression_tests/dagmc/uwuw/test.py b/tests/regression_tests/dagmc/uwuw/test.py
index 5c9777d48..a8da2da60 100644
--- a/tests/regression_tests/dagmc/uwuw/test.py
+++ b/tests/regression_tests/dagmc/uwuw/test.py
@@ -23,8 +23,6 @@ class UWUWTest(PyAPITestHarness):
                                          [ 4,  4,  4]))
         model.settings.source = source
 
-        model.settings.dagmc = True
-
         model.settings.export_to_xml()
 
         # geometry

From bbacb383cdddb2e1e6f55a0d078109acf7e48b7e Mon Sep 17 00:00:00 2001
From: Baptiste Mouginot <15145274+bam241@users.noreply.github.com>
Date: Wed, 18 Jan 2023 14:04:41 +0100
Subject: [PATCH 1511/2654] allowing to pass additiinal args to pool.deplete
 when using user specified maxtrix_func

---
 openmc/deplete/pool.py | 7 +++++--
 1 file changed, 5 insertions(+), 2 deletions(-)

diff --git a/openmc/deplete/pool.py b/openmc/deplete/pool.py
index a3d37f79f..40e870daf 100644
--- a/openmc/deplete/pool.py
+++ b/openmc/deplete/pool.py
@@ -15,7 +15,7 @@ USE_MULTIPROCESSING = True
 NUM_PROCESSES = None
 
 
-def deplete(func, chain, x, rates, dt, matrix_func=None):
+def deplete(func, chain, x, rates, dt, matrix_func=None, **func_args):
     """Deplete materials using given reaction rates for a specified time
 
     Parameters
@@ -37,6 +37,8 @@ def deplete(func, chain, x, rates, dt, matrix_func=None):
         ``fission_yields = {parent: {product: yield_frac}}``
         Expected to return the depletion matrix required by
         ``func``
+    func_args : dict
+        Remaining keyword arguments passed to the matrix_func
 
     Returns
     -------
@@ -57,7 +59,8 @@ def deplete(func, chain, x, rates, dt, matrix_func=None):
     if matrix_func is None:
         matrices = map(chain.form_matrix, rates, fission_yields)
     else:
-        matrices = map(matrix_func, repeat(chain), rates, fission_yields)
+        matrices = map(matrix_func, repeat(chain), rates, fission_yields,
+                       **func_args)
 
     inputs = zip(matrices, x, repeat(dt))
 

From dcfac1d10e0b40dfc17079037d81da7298a01d59 Mon Sep 17 00:00:00 2001
From: Baptiste Mouginot <15145274+bam241@users.noreply.github.com>
Date: Wed, 18 Jan 2023 14:12:00 +0100
Subject: [PATCH 1512/2654] tweaking comments

---
 openmc/deplete/pool.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/deplete/pool.py b/openmc/deplete/pool.py
index 40e870daf..13acb8bf5 100644
--- a/openmc/deplete/pool.py
+++ b/openmc/deplete/pool.py
@@ -38,7 +38,7 @@ def deplete(func, chain, x, rates, dt, matrix_func=None, **func_args):
         Expected to return the depletion matrix required by
         ``func``
     func_args : dict
-        Remaining keyword arguments passed to the matrix_func
+        Remaining keyword arguments passed to matrix_func when used
 
     Returns
     -------

From cd7ad7de7a86c6e4996ae8dec1f74ccd17834116 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Wed, 18 Jan 2023 11:10:33 -0600
Subject: [PATCH 1513/2654] Adding failure check to mesh source unit test.

---
 tests/unit_tests/test_source_mesh.py | 34 ++++++++++++++++++++++++++++
 1 file changed, 34 insertions(+)

diff --git a/tests/unit_tests/test_source_mesh.py b/tests/unit_tests/test_source_mesh.py
index d50e85e3f..dc4cbf06c 100644
--- a/tests/unit_tests/test_source_mesh.py
+++ b/tests/unit_tests/test_source_mesh.py
@@ -122,6 +122,8 @@ def test_unstructured_mesh_sampling(model, request, test_cases):
                 # subtract one from index to account for root cell
                 cell_counts[c[0]._index - 1, m] += 1
 
+        # make sure particle transport is successful
+        openmc.lib.run()
         openmc.lib.finalize()
 
         # normalize cell counts to get sampling frequency per particle
@@ -142,3 +144,35 @@ def test_unstructured_mesh_sampling(model, request, test_cases):
         assert((diff < 2*std_dev).sum() / diff.size >= 0.95)
         assert((diff < 6*std_dev).sum() / diff.size >= 0.997)
 
+
+def test_strengths_size_failure(request, model):
+    # setup mesh source ###
+    mesh_filename = Path(request.fspath).parent / "test_mesh_tets.e"
+    uscd_mesh = openmc.UnstructuredMesh(mesh_filename, 'libmesh')
+
+    # intentionally incorrectly sized to trigger an error
+    n_cells = len(model.geometry.get_all_cells())
+    strengths = np.random.rand(n_cells*TETS_PER_VOXEL)
+
+    # create the spatial distribution based on the mesh
+    space = openmc.stats.MeshSpatial(uscd_mesh, strengths)
+
+    energy = openmc.stats.Discrete(x=[15.e+06], p=[1.0])
+    source = openmc.Source(space=space, energy=energy)
+    model.settings.source = source
+
+    # skip the test if unstructured mesh is not available
+    if not openmc.lib._libmesh_enabled():
+        if openmc.lib._dagmc_enabled():
+            source.space.mesh.library = 'moab'
+        else:
+            pytest.skip("Unstructured mesh support unavailable.")
+
+    # make sure that an incorrrectly sized strengths array causes a failure
+    source.space.strengths = source.space.strengths[:-1]
+
+    mesh_filename = Path(request.fspath).parent / source.space.mesh.filename
+
+    with pytest.raises(RuntimeError, match=r'strengths array'), cdtemp([mesh_filename]):
+        model.export_to_xml()
+        openmc.run()
\ No newline at end of file

From de8f99adbebe4303e102b7a4c6bacde9fcdab525 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Wed, 18 Jan 2023 11:12:10 -0600
Subject: [PATCH 1514/2654] Removing unstructured mesh source sampling test.

The test cases here almost entirely overlapped with those in the unit test. The test for an invalid size on the strengths array has been moved to the test_mesh_source.py unit test.
---
 .../source_sampling/__init__.py               |    0
 .../source_sampling/inputs_true0.dat          | 1165 ----------
 .../source_sampling/inputs_true1.dat          | 1165 ----------
 .../source_sampling/results_true.dat          | 2001 -----------------
 .../unstructured_mesh/source_sampling/test.py |  121 -
 .../source_sampling/test_mesh_tets.e          |    1 -
 6 files changed, 4453 deletions(-)
 delete mode 100644 tests/regression_tests/unstructured_mesh/source_sampling/__init__.py
 delete mode 100644 tests/regression_tests/unstructured_mesh/source_sampling/inputs_true0.dat
 delete mode 100644 tests/regression_tests/unstructured_mesh/source_sampling/inputs_true1.dat
 delete mode 100644 tests/regression_tests/unstructured_mesh/source_sampling/results_true.dat
 delete mode 100644 tests/regression_tests/unstructured_mesh/source_sampling/test.py
 delete mode 120000 tests/regression_tests/unstructured_mesh/source_sampling/test_mesh_tets.e

diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/__init__.py b/tests/regression_tests/unstructured_mesh/source_sampling/__init__.py
deleted file mode 100644
index e69de29bb..000000000
diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true0.dat b/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true0.dat
deleted file mode 100644
index 986d80054..000000000
--- a/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true0.dat
+++ /dev/null
@@ -1,1165 +0,0 @@
-<?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell fill="1001" id="1" region="1 -2 3 -4 5 -6" universe="1002" />
-  <cell id="2" material="void" universe="1" />
-  <cell id="3" material="void" universe="2" />
-  <cell id="4" material="void" universe="3" />
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-  <cell id="6" material="void" universe="5" />
-  <cell id="7" material="void" universe="6" />
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diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true1.dat b/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true1.dat
deleted file mode 100644
index 38d5aa497..000000000
--- a/tests/regression_tests/unstructured_mesh/source_sampling/inputs_true1.dat
+++ /dev/null
@@ -1,1165 +0,0 @@
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diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/results_true.dat b/tests/regression_tests/unstructured_mesh/source_sampling/results_true.dat
deleted file mode 100644
index 2a4e11d06..000000000
--- a/tests/regression_tests/unstructured_mesh/source_sampling/results_true.dat
+++ /dev/null
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diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/test.py b/tests/regression_tests/unstructured_mesh/source_sampling/test.py
deleted file mode 100644
index d6f16315a..000000000
--- a/tests/regression_tests/unstructured_mesh/source_sampling/test.py
+++ /dev/null
@@ -1,121 +0,0 @@
-from itertools import product
-from pathlib import Path
-
-import pytest
-import numpy as np
-import openmc
-import openmc.lib
-
-from tests import cdtemp
-from tests.testing_harness import PyAPITestHarness
-
-
-TETS_PER_VOXEL = 12
-
-# This test uses a geometry file with cells that match a regular mesh. Each cell
-# in the geometry corresponds to 12 tetrahedra in the unstructured mesh file.
-@pytest.fixture
-def model():
-    openmc.reset_auto_ids()
-
-    ### Materials ###
-    materials = openmc.Materials()
-
-    water_mat = openmc.Material(name="water")
-    water_mat.add_nuclide("H1", 2.0)
-    water_mat.add_nuclide("O16", 1.0)
-    water_mat.set_density("atom/b-cm", 0.07416)
-    materials.append(water_mat)
-
-    ### Geometry ###
-    # create a regular mesh that matches the superimposed mesh
-    regular_mesh = openmc.RegularMesh(mesh_id=10)
-    regular_mesh.lower_left = (-10, -10, -10)
-    regular_mesh.dimension = (10, 10, 10)
-    regular_mesh.width = (2, 2, 2)
-
-    root_cell, _ = regular_mesh.build_cells(bc=['vacuum']*6)
-
-    geometry = openmc.Geometry([root_cell])
-
-    ### Tallies ###
-
-    # create a mesh flux tally
-    tally = openmc.Tally()
-    tally.filters.append(openmc.MeshFilter(regular_mesh))
-    tally.scores = ['flux']
-    tallies = openmc.Tallies([tally])
-
-    ### Settings ###
-    settings = openmc.Settings()
-    settings.run_mode = 'fixed source'
-    settings.particles = 100
-    settings.batches = 2
-
-    mesh_filename = "test_mesh_tets.e"
-    uscd_mesh = openmc.UnstructuredMesh(mesh_filename, 'libmesh')
-
-    # subtract one to account for root cell
-    n_cells = len(geometry.get_all_cells()) - 1
-
-    # set source weights manually so the C++ that checks the
-    # size of the array is executed
-    vol_norm = False
-    strengths = np.zeros(n_cells*TETS_PER_VOXEL)
-    # set non-zero strengths only for the tets corresponding to the
-    # first two geometric hex cells
-    strengths[:TETS_PER_VOXEL] = 10
-
-    strengths[TETS_PER_VOXEL:2*TETS_PER_VOXEL] = 2
-
-    # create the spatial distribution based on the mesh
-    space = openmc.stats.MeshSpatial(uscd_mesh, strengths, vol_norm)
-
-    energy = openmc.stats.Discrete(x=[15.e+06], p=[1.0])
-    source = openmc.Source(space=space, energy=energy)
-    settings.source = source
-    return openmc.model.Model(geometry=geometry,
-                              materials=materials,
-                              settings=settings,
-                              tallies=tallies)
-
-
-test_cases = [
-    {'library': lib, 'inputs_true': f'inputs_true{i}.dat'}
-    for i, lib in enumerate(('libmesh', 'moab'))
-]
-
-
-@pytest.mark.parametrize("test_cases", test_cases, ids=lambda p: p['library'])
-def test_unstructured_mesh_sampling(model, test_cases):
-    # skip the test if the library is not enabled
-    if test_cases['library'] == 'moab' and not openmc.lib._dagmc_enabled():
-        pytest.skip("DAGMC (and MOAB) mesh not enabled in this build.")
-
-    if test_cases['library'] == 'libmesh' and not openmc.lib._libmesh_enabled():
-        pytest.skip("LibMesh is not enabled in this build.")
-
-    model.settings.source[0].space.mesh.library = test_cases['library']
-
-    harness = PyAPITestHarness('statepoint.2.h5', model, test_cases['inputs_true'])
-    harness.main()
-
-
-def test_strengths_size_failure(request, model):
-    mesh_source = model.settings.source[0]
-
-    # skip the test if unstructured mesh is not available
-    if not openmc.lib._libmesh_enabled():
-        if openmc.lib._dagmc_enabled():
-            mesh_source.space.mesh.library = 'moab'
-        else:
-            pytest.skip("Unstructured mesh support unavailable.")
-
-    # make sure that an incorrrectly sized strengths array causes a failure
-    mesh_source.space.strengths = mesh_source.space.strengths[:-1]
-
-    mesh_filename = Path(request.fspath).parent / mesh_source.space.mesh.filename
-
-    with pytest.raises(RuntimeError, match=r'strengths array'), cdtemp([mesh_filename]):
-        model.export_to_xml()
-        openmc.run()
diff --git a/tests/regression_tests/unstructured_mesh/source_sampling/test_mesh_tets.e b/tests/regression_tests/unstructured_mesh/source_sampling/test_mesh_tets.e
deleted file mode 120000
index 0aa0d1a23..000000000
--- a/tests/regression_tests/unstructured_mesh/source_sampling/test_mesh_tets.e
+++ /dev/null
@@ -1 +0,0 @@
-../test_mesh_tets.e
\ No newline at end of file

From 368525f3db2503af4e48bdcbd9841f9d07af4d31 Mon Sep 17 00:00:00 2001
From: Gavin Ridley <gavin.keith.ridley@gmail.com>
Date: Sun, 22 Jan 2023 10:07:18 -0500
Subject: [PATCH 1515/2654] multipole documentation typo fix

---
 openmc/data/multipole.py | 8 ++++----
 1 file changed, 4 insertions(+), 4 deletions(-)

diff --git a/openmc/data/multipole.py b/openmc/data/multipole.py
index 0be70cdba..642f2cb43 100644
--- a/openmc/data/multipole.py
+++ b/openmc/data/multipole.py
@@ -1154,8 +1154,8 @@ class WindowedMultipole(EqualityMixin):
         Returns
         -------
         3-tuple of Real
-            Total, absorption, and fission microscopic cross sections at the
-            given energy and temperature.
+            Scattering, absorption, and fission microscopic cross sections 
+            at the given energy and temperature.
 
         """
 
@@ -1248,8 +1248,8 @@ class WindowedMultipole(EqualityMixin):
         Returns
         -------
         3-tuple of Real or 3-tuple of numpy.ndarray
-            Total, absorption, and fission microscopic cross sections at the
-            given energy and temperature.
+            Scattering, absorption, and fission microscopic cross sections
+            at the given energy and temperature.
 
         """
 

From afbbc3d8457854114fb75d73e884251c8522e410 Mon Sep 17 00:00:00 2001
From: Ethan Peterson <ethan.peterson@mit.edu>
Date: Tue, 24 Jan 2023 23:00:27 -0500
Subject: [PATCH 1516/2654] try to constrain triangulation

---
 openmc/model/surface_composite.py | 54 +++++++++++++++++++++++++------
 1 file changed, 45 insertions(+), 9 deletions(-)

diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index 002fad9d9..e44b81ac4 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -670,10 +670,11 @@ class Polygon(CompositeSurface):
         check_length('points', points, 3)
 
         # Order the points counter-clockwise (necessary for offset method)
-        self._points = self._make_ccw(points)
+        points = self._make_ccw(points)
 
-        # Create a triangulation of the points.
-        self._tri = Delaunay(self._points, qhull_options='QJ')
+        # Create a constrained triangulation of the points.
+        # The constrained triangulation is set to _tri attribute
+        self._constrain_triangulation(points)
 
         # Decompose the polygon into groups of simplices forming convex subsets
         # and get the sets of (surface, operator) pairs defining the polygon
@@ -723,7 +724,7 @@ class Polygon(CompositeSurface):
 
     @property
     def points(self):
-        return self._points
+        return self._tri.points
 
     @property
     def basis(self):
@@ -738,7 +739,7 @@ class Polygon(CompositeSurface):
         # Get the unit vectors that point from one point in the polygon to the
         # next given that they are ordered counterclockwise and that the final
         # point is connected to the first point
-        tangents = np.diff(self._points, axis=0, append=[self._points[0, :]])
+        tangents = np.diff(self.points, axis=0, append=[self.points[0, :]])
         tangents /= np.linalg.norm(tangents, axis=-1, keepdims=True)
         # Rotate the tangent vectors clockwise by 90 degrees, which for a
         # counter-clockwise ordered polygon will produce the outward normal
@@ -783,6 +784,41 @@ class Polygon(CompositeSurface):
 
         return points[::-1, :]
 
+    def _constrain_triangulation(self, points):
+        """Generate a constrained triangulation.
+
+        Parameters
+        ----------
+        points : np.ndarray (Nx2)
+            An Nx2 array of coordinate pairs describing the vertices. These
+            points represent a planar straight line graph.
+
+        Returns
+        -------
+        None
+        """
+
+        tri = Delaunay(points, qhull_options='QJ')
+        # Loop through the boundary edges of the polygon. If an edge is not
+        # included in the triangulation, break it into two line segments.
+        n = len(points)
+        new_pts = []
+        for i, j in zip(range(n), range(1, n +1)):
+            # If both vertices of any edge are not found in any simplex, insert
+            # a new point between them
+            if not any([i in s and j % n in s for s in tri.simplices]):
+                newpt = (points[i, :] + points[j % n, :]) / 2
+                new_pts.append((j, newpt))
+
+        # If all the edges are included in the triangulation set it, otherwise
+        # try again with additional points inserted on offending edges
+        if not new_pts:
+            self._tri = tri
+        else:
+            for i, pt in new_pts[::-1]:
+                points = np.insert(points, i, pt, axis=0)
+            self._constrain_triangulation(points)
+
     def _group_simplices(self, neighbor_map, group=None):
         """Generate a convex grouping of simplices.
 
@@ -819,7 +855,7 @@ class Polygon(CompositeSurface):
                     continue
                 test_group = group + [n]
                 test_point_idx = np.unique(self._tri.simplices[test_group, :])
-                test_points = self._tri.points[test_point_idx]
+                test_points = self.points[test_point_idx]
                 # If test_points are convex keep adding to this group
                 if len(test_points) == len(ConvexHull(test_points).vertices):
                     group = self._group_simplices(neighbor_map, group=test_group)
@@ -902,8 +938,8 @@ class Polygon(CompositeSurface):
 
         # Get centroids of all the simplices and determine if they are inside
         # the polygon defined by input vertices or not.
-        centroids = np.mean(self._points[self._tri.simplices], axis=1)
-        in_polygon = Path(self._points).contains_points(centroids)
+        centroids = np.mean(self.points[self._tri.simplices], axis=1)
+        in_polygon = Path(self.points).contains_points(centroids)
         self._in_polygon = in_polygon
 
         # Build a map with keys of simplex indices inside the polygon whose
@@ -931,7 +967,7 @@ class Polygon(CompositeSurface):
             # generate the convex hull and find the resulting surfaces and
             # unary operators that represent this convex subset of the polygon.
             idx = np.unique(self._tri.simplices[group, :])
-            qhull = ConvexHull(self._tri.points[idx, :])
+            qhull = ConvexHull(self.points[idx, :])
             surf_ops = self._get_convex_hull_surfs(qhull)
             surfsets.append(surf_ops)
         return surfsets

From 4fade673a74681e51e0ed198ac0f4f7bcd24fc26 Mon Sep 17 00:00:00 2001
From: Ethan Peterson <ethan.peterson@mit.edu>
Date: Wed, 25 Jan 2023 16:27:12 -0500
Subject: [PATCH 1517/2654] refactor to single validate_points method

---
 openmc/model/surface_composite.py | 63 +++++++++++++++++++------------
 1 file changed, 39 insertions(+), 24 deletions(-)

diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index e44b81ac4..04e0c4d80 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -659,22 +659,10 @@ class Polygon(CompositeSurface):
     def __init__(self, points, basis='rz'):
         check_value('basis', basis, ('xy', 'yz', 'xz', 'rz'))
         self._basis = basis
-        points = np.asarray(points, dtype=float)
-        check_iterable_type('points', points, float, min_depth=2, max_depth=2)
-        check_length('points', points[0, :], 2, 2)
 
-        # If the last point is the same as the first, remove it and make sure
-        # there are still at least 3 points for a valid polygon.
-        if np.allclose(points[0, :], points[-1, :]):
-            points = points[:-1, :]
-        check_length('points', points, 3)
-
-        # Order the points counter-clockwise (necessary for offset method)
-        points = self._make_ccw(points)
-
-        # Create a constrained triangulation of the points.
-        # The constrained triangulation is set to _tri attribute
-        self._constrain_triangulation(points)
+        # Create a constrained triangulation of the validated points.
+        # The constrained triangulation is set to the _tri attribute
+        self._constrain_triangulation(self._validate_points(points))
 
         # Decompose the polygon into groups of simplices forming convex subsets
         # and get the sets of (surface, operator) pairs defining the polygon
@@ -762,8 +750,9 @@ class Polygon(CompositeSurface):
     def region(self):
         return self._region
 
-    def _make_ccw(self, points):
-        """Order a set of points counter-clockwise.
+    def _validate_points(self, points):
+        """Ensure the closed path defined by points does not intersect and is
+        oriented counter-clockwise.
 
         Parameters
         ----------
@@ -774,18 +763,40 @@ class Polygon(CompositeSurface):
         -------
         ordered_points : the input points ordered counter-clockwise
         """
+        points = np.asarray(points, dtype=float)
+        check_iterable_type('points', points, float, min_depth=2, max_depth=2)
+        check_length('points', points[0, :], 2, 2)
+
+        # If the last point is the same as the first, remove it and make sure
+        # there are still at least 3 points for a valid polygon.
+        if np.allclose(points[0, :], points[-1, :]):
+            points = points[:-1, :]
+        check_length('points', points, 3)
+
+        # Check if polygon is self-intersecting by comparing edges pairwise
+        n = len(points)
+        is_self_intersecting = False
+        for i in range(n):
+            p1x, p1y = points[i, :]
+            p2x, p2y = points[(i + 1) % n, :]
+            for j in range(i, n):
+                p3x, p3y = points[j, :]
+                p4x, p4y = points[(j + 1) % n, :]
+
+
+        # Order the points counter-clockwise (necessary for offset method)
         # Calculates twice the signed area of the polygon using the "Shoelace
         # Formula" https://en.wikipedia.org/wiki/Shoelace_formula
-        xpts, ypts = points.T
-
         # If signed area is positive the curve is oriented counter-clockwise
+        xpts, ypts = points.T
         if np.sum(ypts*(np.roll(xpts, 1) - np.roll(xpts, -1))) > 0:
             return points
 
         return points[::-1, :]
 
-    def _constrain_triangulation(self, points):
-        """Generate a constrained triangulation.
+    def _constrain_triangulation(self, points, depth=0):
+        """Generate a constrained triangulation by ensuring all edges of the
+        Polygon are contained within the simplices.
 
         Parameters
         ----------
@@ -797,6 +808,10 @@ class Polygon(CompositeSurface):
         -------
         None
         """
+        # Only attempt the triangulation up to 3 times.
+        if depth > 2:
+            raise RuntimeError('Could not create a valid triangulation after 3'
+                               ' attempts')
 
         tri = Delaunay(points, qhull_options='QJ')
         # Loop through the boundary edges of the polygon. If an edge is not
@@ -805,19 +820,19 @@ class Polygon(CompositeSurface):
         new_pts = []
         for i, j in zip(range(n), range(1, n +1)):
             # If both vertices of any edge are not found in any simplex, insert
-            # a new point between them
+            # a new point between them.
             if not any([i in s and j % n in s for s in tri.simplices]):
                 newpt = (points[i, :] + points[j % n, :]) / 2
                 new_pts.append((j, newpt))
 
         # If all the edges are included in the triangulation set it, otherwise
-        # try again with additional points inserted on offending edges
+        # try again with additional points inserted on offending edges.
         if not new_pts:
             self._tri = tri
         else:
             for i, pt in new_pts[::-1]:
                 points = np.insert(points, i, pt, axis=0)
-            self._constrain_triangulation(points)
+            self._constrain_triangulation(points, depth=depth + 1)
 
     def _group_simplices(self, neighbor_map, group=None):
         """Generate a convex grouping of simplices.

From 396ecdf02cb13eed34940c84606f4d8d890790b7 Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Thu, 26 Jan 2023 13:55:22 -0500
Subject: [PATCH 1518/2654] added test that cathces the bug

---
 tests/unit_tests/test_mesh.py | 9 +++++++++
 1 file changed, 9 insertions(+)
 create mode 100644 tests/unit_tests/test_mesh.py

diff --git a/tests/unit_tests/test_mesh.py b/tests/unit_tests/test_mesh.py
new file mode 100644
index 000000000..08dd65e33
--- /dev/null
+++ b/tests/unit_tests/test_mesh.py
@@ -0,0 +1,9 @@
+import openmc
+import pytest
+
+def test_raises_error_when_flat():
+    with pytest.raises(ValueError):
+        mesh = openmc.RegularMesh()
+        mesh.dimension = [50, 50, 1]
+        mesh.lower_left = [-25, -25, 0]
+        mesh.upper_right = [25, 25, 0]
\ No newline at end of file

From 91ebcdb21e80174bba37a6284c73a8972be0e114 Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Thu, 26 Jan 2023 14:05:23 -0500
Subject: [PATCH 1519/2654] better test

---
 tests/unit_tests/test_mesh.py | 35 ++++++++++++++++++++++++++++++-----
 1 file changed, 30 insertions(+), 5 deletions(-)

diff --git a/tests/unit_tests/test_mesh.py b/tests/unit_tests/test_mesh.py
index 08dd65e33..129e8e21b 100644
--- a/tests/unit_tests/test_mesh.py
+++ b/tests/unit_tests/test_mesh.py
@@ -1,9 +1,34 @@
 import openmc
 import pytest
 
-def test_raises_error_when_flat():
+@pytest.mark.parametrize("val_left,val_right", [(0, 0), (-1., -1.), (2.0, 2)])
+def test_raises_error_when_flat(val_left, val_right):
+    """Checks that an error is raised when a mesh is flat"""
+    mesh = openmc.RegularMesh()
+
+    # Same X
     with pytest.raises(ValueError):
-        mesh = openmc.RegularMesh()
-        mesh.dimension = [50, 50, 1]
-        mesh.lower_left = [-25, -25, 0]
-        mesh.upper_right = [25, 25, 0]
\ No newline at end of file
+        mesh.lower_left = [val_left, -25, -25]
+        mesh.upper_right = [val_right, 25, 25]
+
+    with pytest.raises(ValueError):
+        mesh.upper_right = [val_right, 25, 25]
+        mesh.lower_left = [val_left, -25, -25]
+
+    # Same Y
+    with pytest.raises(ValueError):
+        mesh.lower_left = [-25, val_left, -25]
+        mesh.upper_right = [25, val_right, 25]
+
+    with pytest.raises(ValueError):
+        mesh.upper_right = [25, val_right, 25]
+        mesh.lower_left = [-25, val_left, -25]
+
+    # Same Z
+    with pytest.raises(ValueError):
+        mesh.lower_left = [-25, -25, val_left]
+        mesh.upper_right = [25, 25, val_right]
+
+    with pytest.raises(ValueError):
+        mesh.upper_right = [25, 25, val_right]
+        mesh.lower_left = [-25, -25, val_left]

From a9767035561f347053ac0e89b4a2be56233b88dc Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Thu, 26 Jan 2023 14:06:48 -0500
Subject: [PATCH 1520/2654] Raise error if mesh is flat

---
 openmc/mesh.py | 16 ++++++++++++++++
 1 file changed, 16 insertions(+)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 157e78263..962751f9b 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -433,6 +433,9 @@ class RegularMesh(StructuredMesh):
         cv.check_length('mesh lower_left', lower_left, 1, 3)
         self._lower_left = lower_left
 
+        if self.is_flat():
+            raise ValueError("mesh cannot be flat")
+
     @upper_right.setter
     def upper_right(self, upper_right):
         cv.check_type('mesh upper_right', upper_right, Iterable, Real)
@@ -442,6 +445,9 @@ class RegularMesh(StructuredMesh):
         if self._width is not None:
             self._width = None
             warnings.warn("Unsetting width attribute.")
+        
+        if self.is_flat():
+            raise ValueError("mesh cannot be flat")
 
     @width.setter
     def width(self, width):
@@ -786,6 +792,16 @@ class RegularMesh(StructuredMesh):
             volume_normalization=volume_normalization
         )
 
+    def is_flat(self):
+        """Returns True if the mesh is flat
+        """
+        if None in [self.lower_left, self.upper_right]:
+            return False
+
+        for val1, val2 in zip(self.lower_left, self.upper_right):
+            if val1 == val2:
+                return True
+
 def Mesh(*args, **kwargs):
     warnings.warn("Mesh has been renamed RegularMesh. Future versions of "
                   "OpenMC will not accept the name Mesh.")

From 11eee756dd953d2490fa8b2975341e7f64328f79 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 26 Jan 2023 14:13:39 -0600
Subject: [PATCH 1521/2654] Corrections to application of origin for sphere and
 cyl mesh

---
 include/openmc/mesh.h |  3 +--
 src/mesh.cpp          | 27 +++++++++++++++------------
 2 files changed, 16 insertions(+), 14 deletions(-)

diff --git a/include/openmc/mesh.h b/include/openmc/mesh.h
index c690dc4fe..9554a5143 100644
--- a/include/openmc/mesh.h
+++ b/include/openmc/mesh.h
@@ -241,6 +241,7 @@ public:
   xt::xtensor<double, 1> lower_left_;  //!< Lower-left coordinates of mesh
   xt::xtensor<double, 1> upper_right_; //!< Upper-right coordinates of mesh
   std::array<int, 3> shape_; //!< Number of mesh elements in each dimension
+  Position origin_ {0.0, 0.0, 0.0};
 
 protected:
 };
@@ -359,7 +360,6 @@ public:
   void to_hdf5(hid_t group) const override;
 
   array<vector<double>, 3> grid_;
-  Position origin_;
 
   int set_grid();
 
@@ -414,7 +414,6 @@ public:
   void to_hdf5(hid_t group) const override;
 
   array<vector<double>, 3> grid_;
-  Position origin_;
 
   int set_grid();
 
diff --git a/src/mesh.cpp b/src/mesh.cpp
index 82644db08..e0fa305ed 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -412,7 +412,6 @@ template<class T>
 void StructuredMesh::raytrace_mesh(
   Position r0, Position r1, const Direction& u, T tally) const
 {
-
   // TODO: when c++-17 is available, use "if constexpr ()" to compile-time
   // enable/disable tally calls for now, T template type needs to provide both
   // surface and track methods, which might be empty. modern optimizing
@@ -445,6 +444,11 @@ void StructuredMesh::raytrace_mesh(
     return;
   }
 
+  // translate start and end positions,
+  // this needs to come after the get_indices call because it does its own translation
+  r0 -= origin_;
+  r1 -= origin_;
+
   // Calculate initial distances to next surfaces in all three dimensions
   std::array<MeshDistance, 3> distances;
   for (int k = 0; k < n; ++k) {
@@ -972,13 +976,12 @@ std::string CylindricalMesh::get_mesh_type() const
 StructuredMesh::MeshIndex CylindricalMesh::get_indices(
   Position r, bool& in_mesh) const
 {
-  Position mapped_r;
+  r -= origin_;
 
+  Position mapped_r;
   mapped_r[0] = std::hypot(r.x, r.y);
   mapped_r[2] = r[2];
 
-  mapped_r -= origin_;
-
   if (mapped_r[0] < FP_PRECISION) {
     mapped_r[1] = 0.0;
   } else {
@@ -1090,22 +1093,23 @@ StructuredMesh::MeshDistance CylindricalMesh::distance_to_grid_boundary(
   const MeshIndex& ijk, int i, const Position& r0, const Direction& u,
   double l) const
 {
+  Position r = r0 - origin_;
 
   if (i == 0) {
 
     return std::min(
-      MeshDistance(ijk[i] + 1, true, find_r_crossing(r0, u, l, ijk[i])),
-      MeshDistance(ijk[i] - 1, false, find_r_crossing(r0, u, l, ijk[i] - 1)));
+      MeshDistance(ijk[i] + 1, true, find_r_crossing(r, u, l, ijk[i])),
+      MeshDistance(ijk[i] - 1, false, find_r_crossing(r, u, l, ijk[i] - 1)));
 
   } else if (i == 1) {
 
     return std::min(MeshDistance(sanitize_phi(ijk[i] + 1), true,
-                      find_phi_crossing(r0, u, l, ijk[i])),
+                      find_phi_crossing(r, u, l, ijk[i])),
       MeshDistance(sanitize_phi(ijk[i] - 1), false,
-        find_phi_crossing(r0, u, l, ijk[i] - 1)));
+        find_phi_crossing(r, u, l, ijk[i] - 1)));
 
   } else {
-    return find_z_crossing(r0, u, l, ijk[i]);
+    return find_z_crossing(r, u, l, ijk[i]);
   }
 }
 
@@ -1209,12 +1213,11 @@ std::string SphericalMesh::get_mesh_type() const
 StructuredMesh::MeshIndex SphericalMesh::get_indices(
   Position r, bool& in_mesh) const
 {
+  r -= origin_;
+
   Position mapped_r;
-
   mapped_r[0] = r.norm();
 
-  mapped_r -= origin_;
-
   if (mapped_r[0] < FP_PRECISION) {
     mapped_r[1] = 0.0;
     mapped_r[2] = 0.0;

From b22c7e8353781552d1cedddd05b83ad2543c5714 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 26 Jan 2023 14:14:06 -0600
Subject: [PATCH 1522/2654] Adding test cases for cylindrical mesh

---
 tests/unit_tests/test_cylindrical_mesh.py | 88 ++++++++++++++++++++---
 1 file changed, 78 insertions(+), 10 deletions(-)

diff --git a/tests/unit_tests/test_cylindrical_mesh.py b/tests/unit_tests/test_cylindrical_mesh.py
index 952e8cf5a..e67f21b15 100644
--- a/tests/unit_tests/test_cylindrical_mesh.py
+++ b/tests/unit_tests/test_cylindrical_mesh.py
@@ -1,16 +1,42 @@
+from itertools import product, permutations
+
 import openmc
 import numpy as np
 
-def test_origin_read_write_to_xml():
-    """Tests that the origin attribute can be written and read back to XML
-    """
+import pytest
+
+geom_size = 5
+
+@pytest.fixture()
+def model():
+    openmc.reset_auto_ids()
+
+    water = openmc.Material(name='water')
+    water.add_element('H', 2.0)
+    water.add_element('O', 1.0)
+    water.set_density('g/cc', 1.0)
+
+    rpp = openmc.model.RectangularParallelepiped(*([-geom_size, geom_size] * 3),
+                                                 boundary_type='vacuum')
+
+    cell = openmc.Cell(region=-rpp, fill=water)
+
+    geom = openmc.Geometry([cell])
+
+    source = openmc.Source()
+    source.space = openmc.stats.Point()
+    source.energy = openmc.stats.Discrete([10000], [1.0])
+
+    settings = openmc.Settings()
+    settings.particles = 1000
+    settings.batches = 10
+    settings.run_mode = 'fixed source'
+
     # build
     mesh = openmc.CylindricalMesh()
-    mesh.phi_grid = [1, 2, 3]
-    mesh.z_grid = [1, 2, 3]
-    mesh.r_grid = [1, 2, 3]
-
-    mesh.origin = [0.1, 0.2, 0.3]
+    mesh.phi_grid = np.linspace(0, 2*np.pi, 21)
+    mesh.z_grid = np.linspace(-geom_size, geom_size, 11)
+    mesh.r_grid = np.linspace(0, geom_size, geom_size)
 
     tally = openmc.Tally()
 
@@ -21,10 +47,52 @@ def test_origin_read_write_to_xml():
 
     tallies = openmc.Tallies([tally])
 
-    tallies.export_to_xml()
+    return openmc.Model(geometry=geom, settings=settings, tallies=tallies)
+
+def test_origin_read_write_to_xml(run_in_tmpdir, model):
+    """Tests that the origin attribute can be written and read back to XML
+    """
+    mesh = model.tallies[0].filters[0].mesh
+    mesh.origin = [0.1, 0.2, 0.3]
+    model.tallies.export_to_xml()
 
     # read back
     new_tallies = openmc.Tallies.from_xml()
     new_tally = new_tallies[0]
     new_mesh = new_tally.filters[0].mesh
-    assert np.allclose(new_mesh.origin, mesh.origin)
\ No newline at end of file
+    np.testing.assert_equal(new_mesh.origin, mesh.origin)
+
+estimators = ('tracklength', 'collision')
+origins = permutations([-geom_size, 0, 0])
+
+test_cases = product(estimators, origins)
+
+def label(p):
+    if isinstance(p, tuple):
+        return f'origin:{p}'
+    if isinstance(p, str):
+        return f'estimator:{p}'
+
+@pytest.mark.parametrize('estimator,origin', test_cases, ids=label)
+def test_offset_mesh(model, estimator, origin):
+    """Tests that the mesh has been moved based on tally results
+    """
+    mesh = model.tallies[0].filters[0].mesh
+    model.tallies[0].estimator = estimator
+    # move the center of the cylinder mesh upwards
+    mesh.origin = origin
+
+    sp_filename = model.run()
+
+    with openmc.StatePoint(sp_filename) as sp:
+        tally = sp.tallies[1]
+
+        # we've translated half of the cylinder mesh above the model,
+        # so ensure that half of the bins are populated
+        assert np.count_nonzero(tally.mean) == tally.mean.size / 2
+
+        # check that the lower half of the mesh contains a tally result
+        # and that the upper half is zero
+        mean = tally.mean.reshape(mesh.dimension[::-1]).T
+        # assert np.count_nonzero(mean[:, :, :5]) == mean.size / 2
+        # assert np.count_nonzero(mean[:, :, 5:]) == 0

From 3703fdbdd746675203e1c5477a29b521cdb9a827 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 26 Jan 2023 14:15:08 -0600
Subject: [PATCH 1523/2654] Adding origin to sphere and cyl mesh str

---
 openmc/mesh.py | 2 ++
 1 file changed, 2 insertions(+)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 307d9d952..47d34ebe2 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -1119,6 +1119,7 @@ class CylindricalMesh(StructuredMesh):
         fmt = '{0: <16}{1}{2}\n'
         string = super().__repr__()
         string += fmt.format('\tDimensions', '=\t', self.n_dimension)
+        string += fmt.format('\tOrigin', '=\t', self.origin)
         r_grid_str = str(self._r_grid) if self._r_grid is None else len(self._r_grid)
         string += fmt.format('\tN R pnts:', '=\t', r_grid_str)
         if self._r_grid is not None:
@@ -1445,6 +1446,7 @@ class SphericalMesh(StructuredMesh):
         fmt = '{0: <16}{1}{2}\n'
         string = super().__repr__()
         string += fmt.format('\tDimensions', '=\t', self.n_dimension)
+        string += fmt.format('\tOrigin', '=\t', self.origin)
         r_grid_str = str(self._r_grid) if self._r_grid is None else len(self._r_grid)
         string += fmt.format('\tN R pnts:', '=\t', r_grid_str)
         if self._r_grid is not None:

From ba1cd67d52425820d318d618faf9d5bf06f62e95 Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Fri, 27 Jan 2023 08:32:02 -0500
Subject: [PATCH 1524/2654] added test to catch bug + fix

---
 openmc/mesh.py                |  2 +-
 tests/unit_tests/test_mesh.py | 23 +++++++++++++++++++++++
 2 files changed, 24 insertions(+), 1 deletion(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 962751f9b..3cdfc87f3 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -795,7 +795,7 @@ class RegularMesh(StructuredMesh):
     def is_flat(self):
         """Returns True if the mesh is flat
         """
-        if None in [self.lower_left, self.upper_right]:
+        if self.lower_left is None or self.upper_right is None:
             return False
 
         for val1, val2 in zip(self.lower_left, self.upper_right):
diff --git a/tests/unit_tests/test_mesh.py b/tests/unit_tests/test_mesh.py
index 129e8e21b..8bc00a276 100644
--- a/tests/unit_tests/test_mesh.py
+++ b/tests/unit_tests/test_mesh.py
@@ -1,5 +1,6 @@
 import openmc
 import pytest
+import numpy as np
 
 @pytest.mark.parametrize("val_left,val_right", [(0, 0), (-1., -1.), (2.0, 2)])
 def test_raises_error_when_flat(val_left, val_right):
@@ -32,3 +33,25 @@ def test_raises_error_when_flat(val_left, val_right):
     with pytest.raises(ValueError):
         mesh.upper_right = [25, 25, val_right]
         mesh.lower_left = [-25, -25, val_left]
+
+
+def test_corner_none_returns_false():
+    """Checks mesh is not considered flat when one
+    corner is None
+    """
+    mesh = openmc.RegularMesh()
+    mesh.lower_left = [-25, -25, -25]
+    assert not mesh.is_flat()
+
+    mesh = openmc.RegularMesh()
+    mesh.upper_right = [-25, -25, -25]
+    assert not mesh.is_flat()
+
+    # test with np array
+    mesh = openmc.RegularMesh()
+    mesh.lower_left = np.array([-25, -25, -25])
+    assert not mesh.is_flat()
+
+    mesh = openmc.RegularMesh()
+    mesh.upper_right = np.array([-25, -25, -25])
+    assert not mesh.is_flat()
\ No newline at end of file

From c84336878bdfb38c261094205ab5360949d6743d Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Fri, 27 Jan 2023 08:58:10 -0500
Subject: [PATCH 1525/2654] replace is_flat by a one-line check

---
 openmc/mesh.py                | 18 ++++--------------
 tests/unit_tests/test_mesh.py | 22 ----------------------
 2 files changed, 4 insertions(+), 36 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 3cdfc87f3..60c5ade40 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -433,8 +433,8 @@ class RegularMesh(StructuredMesh):
         cv.check_length('mesh lower_left', lower_left, 1, 3)
         self._lower_left = lower_left
 
-        if self.is_flat():
-            raise ValueError("mesh cannot be flat")
+        if self.upper_right is not None and any(np.isclose(self.upper_right, lower_left)):
+            raise ValueError("mesh cannot have zero thickness is any dimension")
 
     @upper_right.setter
     def upper_right(self, upper_right):
@@ -446,8 +446,8 @@ class RegularMesh(StructuredMesh):
             self._width = None
             warnings.warn("Unsetting width attribute.")
         
-        if self.is_flat():
-            raise ValueError("mesh cannot be flat")
+        if self.lower_left is not None and any(np.isclose(self.lower_left, upper_right)):
+            raise ValueError("mesh cannot have zero thickness is any dimension")
 
     @width.setter
     def width(self, width):
@@ -792,16 +792,6 @@ class RegularMesh(StructuredMesh):
             volume_normalization=volume_normalization
         )
 
-    def is_flat(self):
-        """Returns True if the mesh is flat
-        """
-        if self.lower_left is None or self.upper_right is None:
-            return False
-
-        for val1, val2 in zip(self.lower_left, self.upper_right):
-            if val1 == val2:
-                return True
-
 def Mesh(*args, **kwargs):
     warnings.warn("Mesh has been renamed RegularMesh. Future versions of "
                   "OpenMC will not accept the name Mesh.")
diff --git a/tests/unit_tests/test_mesh.py b/tests/unit_tests/test_mesh.py
index 8bc00a276..0f9b96b0b 100644
--- a/tests/unit_tests/test_mesh.py
+++ b/tests/unit_tests/test_mesh.py
@@ -33,25 +33,3 @@ def test_raises_error_when_flat(val_left, val_right):
     with pytest.raises(ValueError):
         mesh.upper_right = [25, 25, val_right]
         mesh.lower_left = [-25, -25, val_left]
-
-
-def test_corner_none_returns_false():
-    """Checks mesh is not considered flat when one
-    corner is None
-    """
-    mesh = openmc.RegularMesh()
-    mesh.lower_left = [-25, -25, -25]
-    assert not mesh.is_flat()
-
-    mesh = openmc.RegularMesh()
-    mesh.upper_right = [-25, -25, -25]
-    assert not mesh.is_flat()
-
-    # test with np array
-    mesh = openmc.RegularMesh()
-    mesh.lower_left = np.array([-25, -25, -25])
-    assert not mesh.is_flat()
-
-    mesh = openmc.RegularMesh()
-    mesh.upper_right = np.array([-25, -25, -25])
-    assert not mesh.is_flat()
\ No newline at end of file

From 2dbb0c7523c535f8a3f202609ad820cef54556c0 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Fri, 27 Jan 2023 14:26:56 +0000
Subject: [PATCH 1526/2654] allowing materials.xml to be specified

---
 openmc/deplete/results.py | 7 +++++--
 1 file changed, 5 insertions(+), 2 deletions(-)

diff --git a/openmc/deplete/results.py b/openmc/deplete/results.py
index 9552a6ba6..b8b383a0e 100644
--- a/openmc/deplete/results.py
+++ b/openmc/deplete/results.py
@@ -375,7 +375,8 @@ class Results(list):
     def export_to_materials(
         self,
         burnup_index: int,
-        nuc_with_data: Optional[Iterable[str]] = None
+        nuc_with_data: Optional[Iterable[str]] = None,
+        path: PathLike = 'materials.xml'
     ) -> Materials:
         """Return openmc.Materials object based on results at a given step
 
@@ -394,6 +395,8 @@ class Results(list):
             If not provided, nuclides from the cross_sections element of
             materials.xml will be used. If that element is not present,
             nuclides from openmc.config['cross_sections'] will be used.
+        path : PathLike
+            Path to file to write. Defaults to 'materials.xml'.
 
         Returns
         -------
@@ -407,7 +410,7 @@ class Results(list):
         # updated. If for some reason you have modified OpenMC to produce
         # new materials as depletion takes place, this method will not
         # work as expected and leave out that material.
-        mat_file = Materials.from_xml("materials.xml")
+        mat_file = Materials.from_xml(path)
 
         # Only nuclides with valid transport data will be written to
         # the new materials XML file. The precedence of nuclides to select

From ec5f0e54f4e764dd5a5cb52e8cd5d8e725856abd Mon Sep 17 00:00:00 2001
From: Patrick A Myers <myerspat@caen-vnc-mi06.engin.umich.edu>
Date: Fri, 27 Jan 2023 10:22:27 -0500
Subject: [PATCH 1527/2654] Restored init_alias and changed constructor
 definitions

---
 include/openmc/distribution.h |  2 +-
 src/distribution.cpp          | 21 ++++++++++++++-------
 2 files changed, 15 insertions(+), 8 deletions(-)

diff --git a/include/openmc/distribution.h b/include/openmc/distribution.h
index 8563ee031..4fc0db2e0 100644
--- a/include/openmc/distribution.h
+++ b/include/openmc/distribution.h
@@ -60,7 +60,7 @@ private:
   void normalize();
 
   //! Initialize alias tables for distribution
-  void init_alias();
+  void init_alias(vector<double>& x, vector<double>& p);
 };
 
 //==============================================================================
diff --git a/src/distribution.cpp b/src/distribution.cpp
index 50913dfe4..4b4ebd69d 100644
--- a/src/distribution.cpp
+++ b/src/distribution.cpp
@@ -27,20 +27,27 @@ Discrete::Discrete(pugi::xml_node node)
   auto params = get_node_array<double>(node, "parameters");
 
   std::size_t n = params.size();
-  double x[n / 2], p[n / 2];
+  std::vector<double> x_vec(params.begin(), params.begin() + n / 2);
+  std::vector<double> p_vec(params.begin() + n / 2, params.end());
 
-  std::copy(params.begin(), params.begin() + n / 2, x);
-  std::copy(params.begin() + n / 2, params.end(), p);
-
-  new (this) Discrete(x, p, n / 2);
+  this->init_alias(x_vec, p_vec);
 }
 
 Discrete::Discrete(const double* x, const double* p, int n)
-  : x_ {x, x + n}, prob_ {p, p + n}
 {
+  std::vector<double> x_vec(x, x + n);
+  std::vector<double> p_vec(p, p + n);
+
+  this->init_alias(x_vec, p_vec);
+}
+
+void Discrete::init_alias(vector<double>& x, vector<double>& p)
+{
+  x_ = x;
+  prob_ = p;
   normalize();
 
-  // The initialization and sampling method is base on Vose
+  // The initialization and sampling method is based on Vose
   // (DOI: 10.1109/32.92917)
   // Vectors for large and small probabilities based on 1/n
   vector<size_t> large;

From ca1f9a69654b5c0bc99afa58efb801b7bea5988f Mon Sep 17 00:00:00 2001
From: Patrick A Myers <myerspat@caen-vnc-mi01.engin.umich.edu>
Date: Fri, 27 Jan 2023 11:31:37 -0500
Subject: [PATCH 1528/2654] updated test for counter

---
 tests/cpp_unit_tests/test_distribution.cpp | 13 ++++++++-----
 1 file changed, 8 insertions(+), 5 deletions(-)

diff --git a/tests/cpp_unit_tests/test_distribution.cpp b/tests/cpp_unit_tests/test_distribution.cpp
index a5166fb25..e1a212db5 100644
--- a/tests/cpp_unit_tests/test_distribution.cpp
+++ b/tests/cpp_unit_tests/test_distribution.cpp
@@ -1,7 +1,8 @@
 #include "openmc/distribution.h"
 #include "openmc/random_lcg.h"
 #include <catch2/catch_test_macros.hpp>
-#include <catch2/catch_approx.hpp>
+#include <catch2/matchers/catch_matchers_floating_point.hpp>
+#include <cmath>
 #include <pugixml.hpp>
 
 TEST_CASE("Test alias method sampling of a discrete distribution")
@@ -42,9 +43,10 @@ TEST_CASE("Test alias method sampling of a discrete distribution")
   // expected mean
   REQUIRE(std::abs(dist_mean - mean) < 4 * std);
 
-  // Require counter of number of x[0] is within 4 standard deviations of
-  // 200,000
-  REQUIRE(std::abs(counter - n_samples * p[0]) < 4 * std);
+  // Require counter of number of x[0] is within the 95% confidence interval
+  // assuming a Poisson distribution of 200,000
+  REQUIRE(std::abs((double)counter / n_samples - p[0]) <
+          1.96 * std::sqrt(p[0] / n_samples));
 }
 
 TEST_CASE("Test alias sampling method for pugixml constructor")
@@ -72,7 +74,8 @@ TEST_CASE("Test alias sampling method for pugixml constructor")
 
   for (size_t i = 0; i < 3; i++) {
     REQUIRE(dist.x()[i] == correct_x[i]);
-    REQUIRE(dist.prob()[i] == Catch::Approx(correct_prob[i]).epsilon(1e-12));
+    REQUIRE_THAT(
+      dist.prob()[i], Catch::Matchers::WithinAbs(correct_prob[i], 1e-12));
     REQUIRE(dist.alias()[i] == correct_alias[i]);
   }
 }

From 198b5bdad44557beaf8ed27b7bc5bac529252528 Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?R=C3=A9mi=20Delaporte-Mathurin?=
 <40028739+RemDelaporteMathurin@users.noreply.github.com>
Date: Sat, 28 Jan 2023 08:50:39 -0500
Subject: [PATCH 1529/2654] Update openmc/mesh.py

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/mesh.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 60c5ade40..84350afd3 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -434,7 +434,7 @@ class RegularMesh(StructuredMesh):
         self._lower_left = lower_left
 
         if self.upper_right is not None and any(np.isclose(self.upper_right, lower_left)):
-            raise ValueError("mesh cannot have zero thickness is any dimension")
+            raise ValueError("Mesh cannot have zero thickness in any dimension")
 
     @upper_right.setter
     def upper_right(self, upper_right):

From a51d31ec78d6c9bebb99fb7b92a68ab145da56fb Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?R=C3=A9mi=20Delaporte-Mathurin?=
 <40028739+RemDelaporteMathurin@users.noreply.github.com>
Date: Sat, 28 Jan 2023 08:50:45 -0500
Subject: [PATCH 1530/2654] Update openmc/mesh.py

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/mesh.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 84350afd3..dda7257f4 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -447,7 +447,7 @@ class RegularMesh(StructuredMesh):
             warnings.warn("Unsetting width attribute.")
         
         if self.lower_left is not None and any(np.isclose(self.lower_left, upper_right)):
-            raise ValueError("mesh cannot have zero thickness is any dimension")
+            raise ValueError("Mesh cannot have zero thickness in any dimension")
 
     @width.setter
     def width(self, width):

From 60f33d460736e3d22ed7eae633fd7a38cbd48984 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <drshimwell@gmail.com>
Date: Sat, 28 Jan 2023 17:18:35 +0000
Subject: [PATCH 1531/2654] Review improvement from @paulromano

---
 openmc/deplete/results.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/deplete/results.py b/openmc/deplete/results.py
index b8b383a0e..3602d6918 100644
--- a/openmc/deplete/results.py
+++ b/openmc/deplete/results.py
@@ -396,7 +396,7 @@ class Results(list):
             materials.xml will be used. If that element is not present,
             nuclides from openmc.config['cross_sections'] will be used.
         path : PathLike
-            Path to file to write. Defaults to 'materials.xml'.
+            Path to materials XML file to read. Defaults to 'materials.xml'.
 
         Returns
         -------

From dd60c1583f6fede09c8fed5029f0ce216c5a0f10 Mon Sep 17 00:00:00 2001
From: shimwell <mail@jshimwell.com>
Date: Sun, 29 Jan 2023 17:47:54 +0000
Subject: [PATCH 1532/2654] updated checkout action to v3

---
 .github/workflows/ci.yml                                      | 2 +-
 .github/workflows/dockerhub-publish-release-dagmc-libmesh.yml | 2 +-
 .github/workflows/dockerhub-publish-release-dagmc.yml         | 2 +-
 .github/workflows/dockerhub-publish-release-libmesh.yml       | 2 +-
 .github/workflows/dockerhub-publish-release.yml               | 2 +-
 5 files changed, 5 insertions(+), 5 deletions(-)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index 321f18874..2c2ab7004 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -84,7 +84,7 @@ jobs:
       LIBMESH: ${{ matrix.libmesh }}
 
     steps:
-      - uses: actions/checkout@v2
+      - uses: actions/checkout@v3
 
       - name: Set up Python ${{ matrix.python-version }}
         uses: actions/setup-python@v4
diff --git a/.github/workflows/dockerhub-publish-release-dagmc-libmesh.yml b/.github/workflows/dockerhub-publish-release-dagmc-libmesh.yml
index b8a152aef..3dd830a26 100644
--- a/.github/workflows/dockerhub-publish-release-dagmc-libmesh.yml
+++ b/.github/workflows/dockerhub-publish-release-dagmc-libmesh.yml
@@ -8,7 +8,7 @@ jobs:
   main:
     runs-on: ubuntu-latest
     steps:
-      - uses: actions/checkout@v2
+      - uses: actions/checkout@v3
       - name: Set env
         run: echo "RELEASE_VERSION=${GITHUB_REF#refs/*/}" >> $GITHUB_ENV
       -
diff --git a/.github/workflows/dockerhub-publish-release-dagmc.yml b/.github/workflows/dockerhub-publish-release-dagmc.yml
index 927e91212..d7cfff019 100644
--- a/.github/workflows/dockerhub-publish-release-dagmc.yml
+++ b/.github/workflows/dockerhub-publish-release-dagmc.yml
@@ -8,7 +8,7 @@ jobs:
   main:
     runs-on: ubuntu-latest
     steps:
-      - uses: actions/checkout@v2
+      - uses: actions/checkout@v3
       - name: Set env
         run: echo "RELEASE_VERSION=${GITHUB_REF#refs/*/}" >> $GITHUB_ENV
       -
diff --git a/.github/workflows/dockerhub-publish-release-libmesh.yml b/.github/workflows/dockerhub-publish-release-libmesh.yml
index 1907eef46..d2fdbc469 100644
--- a/.github/workflows/dockerhub-publish-release-libmesh.yml
+++ b/.github/workflows/dockerhub-publish-release-libmesh.yml
@@ -8,7 +8,7 @@ jobs:
   main:
     runs-on: ubuntu-latest
     steps:
-      - uses: actions/checkout@v2
+      - uses: actions/checkout@v3
       - name: Set env
         run: echo "RELEASE_VERSION=${GITHUB_REF#refs/*/}" >> $GITHUB_ENV
       -
diff --git a/.github/workflows/dockerhub-publish-release.yml b/.github/workflows/dockerhub-publish-release.yml
index c94a50c0d..4e3ad4177 100644
--- a/.github/workflows/dockerhub-publish-release.yml
+++ b/.github/workflows/dockerhub-publish-release.yml
@@ -8,7 +8,7 @@ jobs:
   main:
     runs-on: ubuntu-latest
     steps:
-      - uses: actions/checkout@v2
+      - uses: actions/checkout@v3
       - name: Set env
         run: echo "RELEASE_VERSION=${GITHUB_REF#refs/*/}" >> $GITHUB_ENV
       -

From 17d88d8c845bb84cfbda4f674ea0919d64b79154 Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Mon, 30 Jan 2023 13:57:44 -0500
Subject: [PATCH 1533/2654] added tests for spherical mesh

---
 tests/unit_tests/test_spherical_mesh.py | 88 ++++++++++++++++++++++---
 1 file changed, 78 insertions(+), 10 deletions(-)

diff --git a/tests/unit_tests/test_spherical_mesh.py b/tests/unit_tests/test_spherical_mesh.py
index 4d389a6bd..711570fb3 100644
--- a/tests/unit_tests/test_spherical_mesh.py
+++ b/tests/unit_tests/test_spherical_mesh.py
@@ -1,16 +1,42 @@
+from itertools import product, permutations
+
 import openmc
 import numpy as np
 
-def test_origin_read_write_to_xml():
-    """Tests that the origin attribute can be written and read back to XML
-    """
+import pytest
+
+geom_size = 5
+
+@pytest.fixture()
+def model():
+    openmc.reset_auto_ids()
+
+    water = openmc.Material(name='water')
+    water.add_element('H', 2.0)
+    water.add_element('O', 1.0)
+    water.set_density('g/cc', 1.0)
+
+    rpp = openmc.model.RectangularParallelepiped(*([-geom_size, geom_size] * 3),
+                                                 boundary_type='vacuum')
+
+    cell = openmc.Cell(region=-rpp, fill=water)
+
+    geom = openmc.Geometry([cell])
+
+    source = openmc.Source()
+    source.space = openmc.stats.Point()
+    source.energy = openmc.stats.Discrete([10000], [1.0])
+
+    settings = openmc.Settings()
+    settings.particles = 1000
+    settings.batches = 10
+    settings.run_mode = 'fixed source'
+
     # build
     mesh = openmc.SphericalMesh()
-    mesh.phi_grid = [1, 2, 3]
-    mesh.theta_grid = [1, 2, 3]
-    mesh.r_grid = [1, 2, 3]
-
-    mesh.origin = [0.1, 0.2, 0.3]
+    mesh.phi_grid = np.linspace(0, 2*np.pi, 21)
+    mesh.theta_grid = np.linspace(0, 2*np.pi, 11)
+    mesh.r_grid = np.linspace(0, geom_size, geom_size)
 
     tally = openmc.Tally()
 
@@ -21,10 +47,52 @@ def test_origin_read_write_to_xml():
 
     tallies = openmc.Tallies([tally])
 
-    tallies.export_to_xml()
+    return openmc.Model(geometry=geom, settings=settings, tallies=tallies)
+
+def test_origin_read_write_to_xml(run_in_tmpdir, model):
+    """Tests that the origin attribute can be written and read back to XML
+    """
+    mesh = model.tallies[0].filters[0].mesh
+    mesh.origin = [0.1, 0.2, 0.3]
+    model.tallies.export_to_xml()
 
     # read back
     new_tallies = openmc.Tallies.from_xml()
     new_tally = new_tallies[0]
     new_mesh = new_tally.filters[0].mesh
-    assert np.allclose(new_mesh.origin, mesh.origin)
\ No newline at end of file
+    np.testing.assert_equal(new_mesh.origin, mesh.origin)
+
+estimators = ('tracklength', 'collision')
+origins = permutations([-geom_size, 0, 0])
+
+test_cases = product(estimators, origins)
+
+def label(p):
+    if isinstance(p, tuple):
+        return f'origin:{p}'
+    if isinstance(p, str):
+        return f'estimator:{p}'
+
+@pytest.mark.parametrize('estimator,origin', test_cases, ids=label)
+def test_offset_mesh(model, estimator, origin):
+    """Tests that the mesh has been moved based on tally results
+    """
+    mesh = model.tallies[0].filters[0].mesh
+    model.tallies[0].estimator = estimator
+    # move the center of the spherical mesh upwards
+    mesh.origin = origin
+
+    sp_filename = model.run()
+
+    with openmc.StatePoint(sp_filename) as sp:
+        tally = sp.tallies[1]
+
+        # we've translated half of the spherical mesh above the model,
+        # so ensure that half of the bins are populated
+        assert np.count_nonzero(tally.mean) == tally.mean.size / 2
+
+        # check that the lower half of the mesh contains a tally result
+        # and that the upper half is zero
+        mean = tally.mean.reshape(mesh.dimension[::-1]).T
+        # assert np.count_nonzero(mean[:, :, :5]) == mean.size / 2
+        # assert np.count_nonzero(mean[:, :, 5:]) == 0

From e20e648690b33923e280476f97efd041f63e1435 Mon Sep 17 00:00:00 2001
From: Ethan Peterson <ethan.peterson@mit.edu>
Date: Mon, 30 Jan 2023 19:40:00 -0500
Subject: [PATCH 1534/2654] check for duplicate points

---
 openmc/model/surface_composite.py | 5 ++++-
 1 file changed, 4 insertions(+), 1 deletion(-)

diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index 04e0c4d80..a570ec15d 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -773,13 +773,16 @@ class Polygon(CompositeSurface):
             points = points[:-1, :]
         check_length('points', points, 3)
 
+        if len(points) != len(np.unique(points, axis=0)):
+            raise ValueError('Duplicate points were detected in the Polygon input')
+
         # Check if polygon is self-intersecting by comparing edges pairwise
         n = len(points)
         is_self_intersecting = False
         for i in range(n):
             p1x, p1y = points[i, :]
             p2x, p2y = points[(i + 1) % n, :]
-            for j in range(i, n):
+            for j in range(i + 1, n):
                 p3x, p3y = points[j, :]
                 p4x, p4y = points[(j + 1) % n, :]
 

From f45b431a2118c9a53e9eeffd1fb678f7a907309b Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Mon, 30 Jan 2023 23:18:07 -0600
Subject: [PATCH 1535/2654] Use --no-build-isolation to get around parallel
 h5py install issue

See https://github.com/h5py/h5py/issues/2222
---
 tools/ci/gha-install.sh | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/tools/ci/gha-install.sh b/tools/ci/gha-install.sh
index 4042977c9..7854a9dfc 100755
--- a/tools/ci/gha-install.sh
+++ b/tools/ci/gha-install.sh
@@ -43,7 +43,8 @@ if [[ $MPI == 'y' ]]; then
     export CC=mpicc
     export HDF5_MPI=ON
     export HDF5_DIR=/usr/lib/x86_64-linux-gnu/hdf5/mpich
-    pip install --no-binary=h5py h5py
+    pip install wheel cython
+    pip install --no-binary=h5py --no-build-isolation h5py
 fi
 
 # Build and install OpenMC executable

From e9866b4d66d7896214d6b695b8a663a8c14c135c Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Tue, 31 Jan 2023 13:20:31 +0000
Subject: [PATCH 1536/2654] added get_tabular metho to energyfilters

---
 openmc/filter.py                 | 29 +++++++++++++++++++++++++++++
 tests/unit_tests/test_filters.py | 17 +++++++++++++++++
 2 files changed, 46 insertions(+)

diff --git a/openmc/filter.py b/openmc/filter.py
index 99b005351..1bb5f9b14 100644
--- a/openmc/filter.py
+++ b/openmc/filter.py
@@ -1332,6 +1332,35 @@ class EnergyFilter(RealFilter):
             cv.check_greater_than('filter value', v0, 0., equality=True)
             cv.check_greater_than('filter value', v1, 0., equality=True)
 
+    def get_tabular(self, values, interpolation='histogram'):
+        """Creates a openmc.stats.Tabular distribution using the EnergyFilter
+        bins and the provided values. Intended use is to help convert a
+        spectrum tally into a source energy.
+
+        Parameters
+        ----------
+        values : np.array
+            Array of numeric values, typically a tally.mean from a spectrum tally
+        interpolation : {'histogram', 'linear-linear', 'linear-log', 'log-linear', 'log-log'}
+            Indicate whether the density function is constant between tabulated
+            points or linearly-interpolated. Defaults to 'histogram'.         
+
+        Returns
+        -------
+        openmc.stats.Tabular
+            Tabular distribution with histogram interpolation
+        """
+
+        probabilities = values / sum(values)
+
+        probability_per_ev = probabilities / np.diff(self.bins).flatten()
+
+        return openmc.stats.Tabular(
+            x=self.bins,
+            p=probability_per_ev,
+            interpolation=interpolation
+        )
+
     @property
     def lethargy_bin_width(self):
         """Calculates the base 10 log width of energy bins which is useful when
diff --git a/tests/unit_tests/test_filters.py b/tests/unit_tests/test_filters.py
index 8a6f095ef..485926f19 100644
--- a/tests/unit_tests/test_filters.py
+++ b/tests/unit_tests/test_filters.py
@@ -269,3 +269,20 @@ def test_energyfunc():
     np.testing.assert_allclose(f.energy, new_f.energy)
     np.testing.assert_allclose(f.y, new_f.y)
     assert f.interpolation == new_f.interpolation
+
+
+def test_tabular_from_energyfilter():
+    efilter = openmc.EnergyFilter([0.0, 10.0, 20.0, 25.0])
+    tab = efilter.get_tabular(values=np.array([5, 10, 10]))
+
+    assert tab.x.tolist() == [[0.0, 10.0], [10.0, 20.0], [20.0, 25.0]]
+
+    # combination of different values passed into get_tabular and different
+    # width energy bins results in a doubling value for each p value
+    assert tab.p.tolist() == [0.02, 0.04, 0.08]
+
+    # 'histogram' is the default
+    assert tab.interpolation == 'histogram'
+
+    tab = efilter.get_tabular(values=np.array([10, 10, 5]), interpolation='linear-linear')
+    assert tab.interpolation == 'linear-linear'

From 1e94a0c7d7126dc68e0dfdda933a9142e8cd1f42 Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Thu, 2 Feb 2023 09:39:23 -0500
Subject: [PATCH 1537/2654] fixed theta_grid spherical mesh

---
 tests/unit_tests/test_spherical_mesh.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/tests/unit_tests/test_spherical_mesh.py b/tests/unit_tests/test_spherical_mesh.py
index 711570fb3..d6ac435c2 100644
--- a/tests/unit_tests/test_spherical_mesh.py
+++ b/tests/unit_tests/test_spherical_mesh.py
@@ -35,7 +35,7 @@ def model():
     # build
     mesh = openmc.SphericalMesh()
     mesh.phi_grid = np.linspace(0, 2*np.pi, 21)
-    mesh.theta_grid = np.linspace(0, 2*np.pi, 11)
+    mesh.theta_grid = np.linspace(0, np.pi, 11)
     mesh.r_grid = np.linspace(0, geom_size, geom_size)
 
     tally = openmc.Tally()

From dbbad687eba3357d8f6b69bec71bb119d4113e29 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 3 Feb 2023 08:32:05 -0600
Subject: [PATCH 1538/2654] Don't call normalize inside Tabular.mean

---
 openmc/stats/univariate.py     | 11 +++++++----
 tests/unit_tests/test_stats.py | 11 +++++++----
 2 files changed, 14 insertions(+), 8 deletions(-)

diff --git a/openmc/stats/univariate.py b/openmc/stats/univariate.py
index de8d08ded..64627a4e1 100644
--- a/openmc/stats/univariate.py
+++ b/openmc/stats/univariate.py
@@ -857,7 +857,6 @@ class Tabular(Univariate):
                                       'or linear-linear interpolation.')
         if self.interpolation == 'linear-linear':
             mean = 0.0
-            self.normalize()
             for i in range(1, len(self.x)):
                 y_min = self.p[i-1]
                 y_max = self.p[i]
@@ -872,9 +871,13 @@ class Tabular(Univariate):
                 mean += exp_val
 
         elif self.interpolation == 'histogram':
-            mean = 0.5 * (self.x[:-1] + self.x[1:])
-            mean *= np.diff(self.cdf())
-            mean = sum(mean)
+            x_l = self.x[:-1]
+            x_r = self.x[1:]
+            p_l = self.p[:-1]
+            mean = (0.5 * (x_l + x_r) * (x_r - x_l) * p_l).sum()
+
+        # Normalize for when integral of distribution is not 1
+        mean /= self.integral()
 
         return mean
 
diff --git a/tests/unit_tests/test_stats.py b/tests/unit_tests/test_stats.py
index 378e1fc0b..ea8898c1a 100644
--- a/tests/unit_tests/test_stats.py
+++ b/tests/unit_tests/test_stats.py
@@ -166,7 +166,7 @@ def test_watt():
 
 def test_tabular():
     x = np.array([0.0, 5.0, 7.0])
-    p = np.array([0.1, 0.2, 0.05])
+    p = np.array([10.0, 20.0, 5.0])
     d = openmc.stats.Tabular(x, p, 'linear-linear')
     elem = d.to_xml_element('distribution')
 
@@ -178,19 +178,22 @@ def test_tabular():
 
     # test linear-linear sampling
     d = openmc.stats.Tabular(x, p)
-
     n_samples = 100_000
     samples = d.sample(n_samples)
     assert_sample_mean(samples, d.mean())
 
-    # test histogram sampling
-    d = openmc.stats.Tabular(x, p, interpolation='histogram')
+    # test linear-linear normalization
     d.normalize()
     assert d.integral() == pytest.approx(1.0)
 
+    # test histogram sampling
+    d = openmc.stats.Tabular(x, p, interpolation='histogram')
     samples = d.sample(n_samples)
     assert_sample_mean(samples, d.mean())
 
+    d.normalize()
+    assert d.integral() == pytest.approx(1.0)
+
 
 def test_legendre():
     # Pu239 elastic scattering at 100 keV

From cf8cd62961bbb8b6de52f4e944d725c90072ab05 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 3 Feb 2023 19:32:41 -0600
Subject: [PATCH 1539/2654] Update tests/unit_tests/test_source_mesh.py

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 tests/unit_tests/test_source_mesh.py | 5 ++---
 1 file changed, 2 insertions(+), 3 deletions(-)

diff --git a/tests/unit_tests/test_source_mesh.py b/tests/unit_tests/test_source_mesh.py
index dc4cbf06c..e6074cb23 100644
--- a/tests/unit_tests/test_source_mesh.py
+++ b/tests/unit_tests/test_source_mesh.py
@@ -1,15 +1,14 @@
 from itertools import product
-
 from pathlib import Path
+from subprocess import call
+
 import pytest
 import numpy as np
-
 import openmc
 import openmc.lib
 
 from tests import cdtemp
 from tests.regression_tests import config
-from subprocess import call
 
 
 TETS_PER_VOXEL = 12

From fc67b38ba4ee4895529bbfce1ad94e4bdc7adeed Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 3 Feb 2023 20:11:25 -0600
Subject: [PATCH 1540/2654] Adding roundtrip test for mesh sampling

---
 openmc/mesh.py                       | 13 +++++++++++
 openmc/settings.py                   | 19 ++++------------
 openmc/source.py                     |  7 ++++--
 openmc/stats/multivariate.py         | 19 +++++++++-------
 tests/unit_tests/test_source_mesh.py | 34 ++++++++++++++++++++++++----
 5 files changed, 63 insertions(+), 29 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index e314aab3e..a3452b846 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -1,5 +1,6 @@
 from abc import ABC, abstractmethod
 from collections.abc import Iterable
+from collections import OrderedDict
 from math import pi
 from numbers import Real, Integral
 from pathlib import Path
@@ -1937,3 +1938,15 @@ class UnstructuredMesh(MeshBase):
         length_multiplier = float(get_text(elem, 'length_multiplier', 1.0))
 
         return cls(filename, library, mesh_id, '', length_multiplier)
+
+
+def read_meshes(tree):
+    """Reads all mesh nodes under an XML tree
+    """
+    out = OrderedDict()
+    root = tree.getroot()
+    for mesh_elem in root.iter('mesh'):
+        mesh = MeshBase.from_xml_element(mesh_elem)
+        out[mesh.id] = mesh
+
+    return out
\ No newline at end of file
diff --git a/openmc/settings.py b/openmc/settings.py
index 129ae2655..a219f8aa2 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -16,7 +16,7 @@ from openmc.stats.multivariate import MeshSpatial
 from . import RegularMesh, Source, VolumeCalculation, WeightWindows
 from ._xml import clean_indentation, get_text, reorder_attributes
 from openmc.checkvalue import PathLike
-from .mesh import MeshBase
+from .mesh import MeshBase, read_meshes
 
 
 class RunMode(Enum):
@@ -1328,19 +1328,7 @@ class Settings:
 
     def _source_from_xml_element(self, root, meshes=None):
         for elem in root.findall('source'):
-            src = Source.from_xml_element(elem)
-            if isinstance(src.space, MeshSpatial):
-                mesh_id = int(get_text(elem, 'mesh'))
-                if mesh_id not in meshes:
-                    path = f"./mesh[@id='{mesh_id}']"
-                    mesh_elem = root.find(path)
-                    if mesh_elem is not None:
-                        mesh = MeshBase.from_xml_element(mesh_elem)
-                    meshes[mesh.id] = mesh
-                try:
-                    src.space.mesh = meshes[mesh_id]
-                except KeyError as e:
-                    raise e(f'Mesh with ID {mesh_id} was not found.')
+            src = Source.from_xml_element(elem, meshes)
             # add newly constructed source object to the list
             self.source.append(src)
 
@@ -1774,4 +1762,5 @@ class Settings:
         """
         tree = ET.parse(path)
         root = tree.getroot()
-        return cls.from_xml_element(root)
+        meshes = read_meshes(tree)
+        return cls.from_xml_element(root, meshes)
diff --git a/openmc/source.py b/openmc/source.py
index 9293a5953..7f88bcd52 100644
--- a/openmc/source.py
+++ b/openmc/source.py
@@ -258,13 +258,16 @@ class Source:
         return element
 
     @classmethod
-    def from_xml_element(cls, elem: ET.Element) -> 'openmc.Source':
+    def from_xml_element(cls, elem: ET.Element, meshes=None) -> 'openmc.Source':
         """Generate source from an XML element
 
         Parameters
         ----------
         elem : xml.etree.ElementTree.Element
             XML element
+        meshes : dict
+            Dictionary with mesh IDs as keys and openmc.MeshBase instaces as
+            values
 
         Returns
         -------
@@ -313,7 +316,7 @@ class Source:
 
         space = elem.find('space')
         if space is not None:
-            source.space = Spatial.from_xml_element(space)
+            source.space = Spatial.from_xml_element(space, meshes)
 
         angle = elem.find('angle')
         if angle is not None:
diff --git a/openmc/stats/multivariate.py b/openmc/stats/multivariate.py
index db13b9bc9..7372020b0 100644
--- a/openmc/stats/multivariate.py
+++ b/openmc/stats/multivariate.py
@@ -262,7 +262,7 @@ class Spatial(ABC):
 
     @classmethod
     @abstractmethod
-    def from_xml_element(cls, elem):
+    def from_xml_element(cls, elem, meshes=None):
         distribution = get_text(elem, 'type')
         if distribution == 'cartesian':
             return CartesianIndependent.from_xml_element(elem)
@@ -275,7 +275,7 @@ class Spatial(ABC):
         elif distribution == 'point':
             return Point.from_xml_element(elem)
         elif distribution == 'mesh':
-            return MeshSpatial.from_xml_element(elem)
+            return MeshSpatial.from_xml_element(elem, meshes)
 
 
 class CartesianIndependent(Spatial):
@@ -714,13 +714,16 @@ class MeshSpatial(Spatial):
         return element
 
     @classmethod
-    def from_xml_element(cls, elem):
+    def from_xml_element(cls, elem, meshes):
         """Generate spatial distribution from an XML element
 
         Parameters
         ----------
         elem : xml.etree.ElementTree.Element
             XML element
+        meshes : dict
+            A dictionary with mesh IDs as keys and openmc.MeshBase instances as
+            values
 
         Returns
         -------
@@ -732,16 +735,16 @@ class MeshSpatial(Spatial):
         mesh_id = int(elem.get('mesh_id'))
 
         # check if this mesh has been read in from another location already
-        if mesh_id not in MESHES:
+        if mesh_id not in meshes:
             raise RuntimeError(f'Could not locate mesh with ID "{mesh_id}"')
 
         volume_normalized = elem.get("volume_normalized")
         volume_normalized = get_text(elem, 'volume_normalized').lower() == 'true'
-        if elem.get('strengths') is not None:
+        strengths = get_text(elem, 'strengths')
+        if strengths is not None:
             strengths = [float(b) for b in get_text(elem, 'strengths').split()]
-        else:
-            strengths = None
-        return cls(MESHES[mesh_id], strengths, volume_normalized)
+
+        return cls(meshes[mesh_id], strengths, volume_normalized)
 
 
 class Box(Spatial):
diff --git a/tests/unit_tests/test_source_mesh.py b/tests/unit_tests/test_source_mesh.py
index e6074cb23..596b22f9a 100644
--- a/tests/unit_tests/test_source_mesh.py
+++ b/tests/unit_tests/test_source_mesh.py
@@ -106,10 +106,8 @@ def test_unstructured_mesh_sampling(model, request, test_cases):
         cell_counts = np.zeros((n_cells, n_measurements))
 
         # This model contains 1000 geometry cells. Each cell is a hex
-        # corresponding to 12 of the tets. This test runs 10000 particles. This
+        # corresponding to 12 of the tets. This test runs 1000 samples. This
         #  results in the following average for each cell
-        average_in_hex = n_samples / n_cells
-
         openmc.lib.init([])
 
         # perform many sets of samples and track counts for each cell
@@ -174,4 +172,32 @@ def test_strengths_size_failure(request, model):
 
     with pytest.raises(RuntimeError, match=r'strengths array'), cdtemp([mesh_filename]):
         model.export_to_xml()
-        openmc.run()
\ No newline at end of file
+        openmc.run()
+
+def test_roundtrip(run_in_tmpdir, model, request):
+    if not openmc.lib._libmesh_enabled() and not openmc.lib._dagmc_enabled():
+        pytest.skip("Unstructured mesh is not enabled in this build.")
+
+    mesh_filename = Path(request.fspath).parent / 'test_mesh_tets.e'
+    ucd_mesh = openmc.UnstructuredMesh(mesh_filename, library='libmesh')
+
+    if not openmc.lib._libmesh_enabled():
+        ucd_mesh.library = 'moab'
+
+    n_cells = len(model.geometry.get_all_cells())
+
+    space_out = openmc.MeshSpatial(ucd_mesh)
+    space_out.strengths = np.random.rand(n_cells*TETS_PER_VOXEL)
+    model.settings.source = openmc.Source(space=space_out)
+
+    # write out the model
+    model.export_to_xml()
+
+    model_in = openmc.Model.from_xml()
+
+    space_in = model_in.settings.source[0].space
+
+    np.testing.assert_equal(space_out.strengths, space_in.strengths)
+
+    assert space_in.mesh.id == space_out.mesh.id
+    assert space_in.volume_normalized == space_out.volume_normalized

From 283e3ee6aa5db3012a118cd300bf3b6f9388c2ac Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 3 Feb 2023 22:51:51 -0600
Subject: [PATCH 1541/2654] Adjust the read_meshes function to search only for
 mesh elements directly below the element passed in

---
 openmc/mesh.py     | 18 ++++++++++++++----
 openmc/settings.py |  2 +-
 2 files changed, 15 insertions(+), 5 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index a3452b846..b2114525f 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -1940,12 +1940,22 @@ class UnstructuredMesh(MeshBase):
         return cls(filename, library, mesh_id, '', length_multiplier)
 
 
-def read_meshes(tree):
-    """Reads all mesh nodes under an XML tree
+def read_meshes(elem):
+    """Reads all mesh nodes under a a given XML node
+
+    Parameters
+    ----------
+    elem : xml.etree.ElementTree.Element
+        XML element
+
+    Returns
+    -------
+    OrderedDict
+        An ordered dictionary with mesh IDs as keys and openmc.MeshBase
+        instanaces as values
     """
     out = OrderedDict()
-    root = tree.getroot()
-    for mesh_elem in root.iter('mesh'):
+    for mesh_elem in elem.findall('mesh'):
         mesh = MeshBase.from_xml_element(mesh_elem)
         out[mesh.id] = mesh
 
diff --git a/openmc/settings.py b/openmc/settings.py
index a219f8aa2..ff35a90cf 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -1762,5 +1762,5 @@ class Settings:
         """
         tree = ET.parse(path)
         root = tree.getroot()
-        meshes = read_meshes(tree)
+        meshes = read_meshes(root)
         return cls.from_xml_element(root, meshes)

From 78b0fbaa27b98410ecd0a5103a6aa27fdf1705e4 Mon Sep 17 00:00:00 2001
From: Ethan Peterson <ethan.peterson@mit.edu>
Date: Sun, 5 Feb 2023 22:02:14 -0500
Subject: [PATCH 1542/2654] finished polygon self-intersection check

---
 openmc/model/surface_composite.py | 91 ++++++++++++++++++++++++++-----
 1 file changed, 76 insertions(+), 15 deletions(-)

diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index a570ec15d..047cfe7fc 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -776,26 +776,87 @@ class Polygon(CompositeSurface):
         if len(points) != len(np.unique(points, axis=0)):
             raise ValueError('Duplicate points were detected in the Polygon input')
 
-        # Check if polygon is self-intersecting by comparing edges pairwise
-        n = len(points)
-        is_self_intersecting = False
-        for i in range(n):
-            p1x, p1y = points[i, :]
-            p2x, p2y = points[(i + 1) % n, :]
-            for j in range(i + 1, n):
-                p3x, p3y = points[j, :]
-                p4x, p4y = points[(j + 1) % n, :]
-
-
         # Order the points counter-clockwise (necessary for offset method)
         # Calculates twice the signed area of the polygon using the "Shoelace
         # Formula" https://en.wikipedia.org/wiki/Shoelace_formula
-        # If signed area is positive the curve is oriented counter-clockwise
+        # If signed area is positive the curve is oriented counter-clockwise.
+        # If the signed area is negative the curve is oriented clockwise.
         xpts, ypts = points.T
-        if np.sum(ypts*(np.roll(xpts, 1) - np.roll(xpts, -1))) > 0:
-            return points
+        if np.sum(ypts*(np.roll(xpts, 1) - np.roll(xpts, -1))) < 0:
+            points = points[::-1, :]
 
-        return points[::-1, :]
+
+        # Check if polygon is self-intersecting by comparing edges pairwise
+        n = len(points)
+        for i in range(n):
+            p0 = points[i, :]
+            p1 = points[(i + 1) % n, :]
+            for j in range(i + 1, n):
+                p2 = points[j, :]
+                p3 = points[(j + 1) % n, :]
+                # Compute orientation of p0 wrt p2->p3 line segment
+                cp0 = np.cross(p3-p0, p2-p0)
+                # Compute orientation of p1 wrt p2->p3 line segment
+                cp1 = np.cross(p3-p1, p2-p1)
+                # Compute orientation of p2 wrt p0->p1 line segment
+                cp2 = np.cross(p1-p2, p0-p2)
+                # Compute orientation of p3 wrt p0->p1 line segment
+                cp3 = np.cross(p1-p3, p0-p3)
+
+                # Group cross products in an array and find out how many are 0
+                cross_products = np.array([[cp0, cp1], [cp2, cp3]])
+                cps_near_zero = np.isclose(cross_products, 0).astype(int)
+                num_zeros = np.sum(cps_near_zero)
+
+                # Topologies of 2 finite line segments categorized by the number
+                # of zero-valued cross products:
+                #
+                # 0: No 3 points lie on the same line
+                # 1: 1 point lies on the same line defined by the other line
+                # segment, but is not coincident with either of the points
+                # 2: 2 points are coincident, but the line segments are not
+                # collinear which guarantees no intersection
+                # 3: not possible
+                # 4: Both line segments are collinear, simply need to check if
+                # they overlap or not
+
+                if num_zeros == 0:
+                    # If the orientations of p0 and p1 have opposite signs
+                    # and the orientations of p2 and p3 have opposite signs
+                    # then there is an intersection.
+                    if all(np.prod(cross_products, axis=-1) < 0):
+                        raise ValueError('Polygon cannot be self-intersecting')
+                    continue
+
+                elif num_zeros == 1:
+                    # determine which line segment has 2 out of the 3 collinear
+                    # points
+                    idx = np.argwhere(np.sum(cps_near_zero, axis=-1) == 0)
+                    if np.prod(cross_products[idx, :]) < 0:
+                        raise ValueError('Polygon cannot be self-intersecting')
+                    continue
+
+                elif num_zeros == 2:
+                    continue
+
+                elif num_zeros == 4:
+                    # Determine number of unique points, x span and y span for
+                    # both line segments
+                    #unique_pts = np.unique(np.vstack((p0, p1, p2, p3)), axis=0)
+                    xmin1, xmax1 = min(p0[0], p1[0]), max(p0[0], p1[0])
+                    ymin1, ymax1 = min(p0[1], p1[1]), max(p0[1], p1[1])
+                    xmin2, xmax2 = min(p2[0], p3[0]), max(p2[0], p3[0])
+                    ymin2, ymax2 = min(p2[1], p3[1]), max(p2[1], p3[1])
+                    xlap = xmin1 < xmax2 and xmin2 < xmax1
+                    ylap = ymin1 < ymax2 and ymin2 < ymax1
+                    if xlap or ylap:
+                        raise ValueError('Polygon cannot be self-intersecting')
+                    continue
+
+                else:
+                    warnings.warn('Unclear if Polygon is self-intersecting')
+
+        return points
 
     def _constrain_triangulation(self, points, depth=0):
         """Generate a constrained triangulation by ensuring all edges of the

From c07386fc62bcfea422a03889821b9b3f053d546f Mon Sep 17 00:00:00 2001
From: Ethan Peterson <ethan.peterson@mit.edu>
Date: Sun, 5 Feb 2023 22:15:10 -0500
Subject: [PATCH 1543/2654] added more tests for Polygon class

---
 tests/unit_tests/test_surface_composite.py | 54 ++++++++++++++++++++++
 1 file changed, 54 insertions(+)

diff --git a/tests/unit_tests/test_surface_composite.py b/tests/unit_tests/test_surface_composite.py
index dbfaa62b1..3f94893ed 100644
--- a/tests/unit_tests/test_surface_composite.py
+++ b/tests/unit_tests/test_surface_composite.py
@@ -339,3 +339,57 @@ def test_polygon():
             offset_star = star_poly.offset(.6)
             assert (0, 0, 0) in -offset_star
             assert any([(0, 0, 0) in reg for reg in offset_star.regions])
+
+    # check invalid Polygon input points
+    # duplicate points not just at start and end
+    rz_points = np.array([[6.88, 3.02],
+                          [6.88, 2.72],
+                          [6.88, 3.02],
+                          [7.63, 0.0],
+                          [5.75, 0.0],
+                          [5.75, 1.22],
+                          [7.63, 0.0],
+                          [6.30, 1.22],
+                          [6.30, 3.02],
+                          [6.88, 3.02]])
+    with pytest.raises(ValueError):
+        openmc.model.Polygon(rz_points)
+
+    # segment traces back on previous segment
+    rz_points = np.array([[6.88, 3.02],
+                          [6.88, 2.72],
+                          [6.88, 2.32],
+                          [6.88, 2.52],
+                          [7.63, 0.0],
+                          [5.75, 0.0],
+                          [6.75, 0.0],
+                          [5.75, 1.22],
+                          [6.30, 1.22],
+                          [6.30, 3.02],
+                          [6.88, 3.02]])
+    with pytest.raises(ValueError):
+        openmc.model.Polygon(rz_points)
+
+    # segments intersect (line-line)
+    rz_points = np.array([[6.88, 3.02],
+                          [5.88, 2.32],
+                          [7.63, 0.0],
+                          [5.75, 0.0],
+                          [5.75, 1.22],
+                          [6.30, 1.22],
+                          [6.30, 3.02],
+                          [6.88, 3.02]])
+    with pytest.raises(ValueError):
+        openmc.model.Polygon(rz_points)
+
+    # segments intersect (line-point)
+    rz_points = np.array([[6.88, 3.02],
+                          [6.3, 2.32],
+                          [7.63, 0.0],
+                          [5.75, 0.0],
+                          [5.75, 1.22],
+                          [6.30, 1.22],
+                          [6.30, 3.02],
+                          [6.88, 3.02]])
+    with pytest.raises(ValueError):
+        openmc.model.Polygon(rz_points)

From 6d69c782ae333dae580a5734896efd311aab71ac Mon Sep 17 00:00:00 2001
From: josh <josh@radiantnuclear.com>
Date: Mon, 6 Feb 2023 17:45:18 +0000
Subject: [PATCH 1544/2654] abstract _partial_deepcopy and reformat docstrings

---
 openmc/universe.py | 29 ++++++++++++++++++-----------
 1 file changed, 18 insertions(+), 11 deletions(-)

diff --git a/openmc/universe.py b/openmc/universe.py
index 8babddfeb..3b8d0fe51 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -111,11 +111,16 @@ class UniverseBase(ABC, IDManagerMixin):
 
         """
 
-    def _deepcopy_universe_for_clone(self):
-        """Deepcopy an openmc.UniverseBase object. This is a paceholder for any future classes inherited from this one.
-        This should only to be used within the openmc.UniverseBase.clone() context.
+    @abstractmethod
+    def _partial_deepcopy(self):
+        """Deepcopy all parameters of an openmc.UniverseBase object except its cells.
+        This should only be used from the openmc.UniverseBase.clone() context.
+
+        Returns
+        -------
+        None
+
         """
-        return deepcopy(self)
 
     def clone(self, clone_materials=True, clone_regions=True, memo=None):
         """Create a copy of this universe with a new unique ID, and clones
@@ -144,7 +149,7 @@ class UniverseBase(ABC, IDManagerMixin):
 
         # If no memoize'd clone exists, instantiate one
         if self not in memo:
-            clone = self._deepcopy_universe_for_clone()
+            clone = self._partial_deepcopy()
 
             # Clone all cells for the universe clone
             clone._cells = OrderedDict()
@@ -616,9 +621,10 @@ class Universe(UniverseBase):
             if not instances_only:
                 cell._paths.append(cell_path)
 
-    def _deepcopy_universe_for_clone(self):
-        """Clone all of the openmc.Universe object's attributes except for its cells, as they will be handled within the clone function.
-        This should only to be used within the openmc.UniverseBase.clone() context and is more performant than a deepcopy.
+    def _partial_deepcopy(self):
+        """Clone all of the openmc.Universe object's attributes except for its cells,
+        as they are copied within the clone function. This should only to be
+        used within the openmc.UniverseBase.clone() context.
         """
         clone = openmc.Universe(name=self.name)
         clone.volume = self.volume
@@ -961,9 +967,10 @@ class DAGMCUniverse(UniverseBase):
 
         return out
 
-    def _deepcopy_universe_for_clone(self):
-        """Clone all of the openmc.DAGMCUniverse object's attributes except for its cells, as they will be handled within the clone function.
-        This should only to be used within the openmc.UniverseBase.clone() context and is more performant than a deepcopy.
+    def _partial_deepcopy(self):
+        """Clone all of the openmc.DAGMCUniverse object's attributes except for
+        its cells, as they are copied within the clone function. This should
+        only to be used within the openmc.UniverseBase.clone() context.
         """
         clone = openmc.DAGMCUniverse(name=self.name, filename=self.filename)
         clone.volume = self.volume

From 637080a0c2b33f93f26c6647977aef6d99daf849 Mon Sep 17 00:00:00 2001
From: Ethan Peterson <ethan.peterson@mit.edu>
Date: Mon, 6 Feb 2023 15:52:46 -0500
Subject: [PATCH 1545/2654] address comments from @hassec review

---
 openmc/model/surface_composite.py | 17 ++++++++++++-----
 1 file changed, 12 insertions(+), 5 deletions(-)

diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index 047cfe7fc..044ecf61e 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -816,9 +816,14 @@ class Polygon(CompositeSurface):
                 # segment, but is not coincident with either of the points
                 # 2: 2 points are coincident, but the line segments are not
                 # collinear which guarantees no intersection
-                # 3: not possible
+                # 3: not possible, except maybe floating point issues?
                 # 4: Both line segments are collinear, simply need to check if
                 # they overlap or not
+                # adapted from algorithm linked below and modified to only
+                # consider intersections on the interior of line segments as
+                # proper intersections: i.e. segments sharing end points do not
+                # count as intersections.
+                # https://www.geeksforgeeks.org/check-if-two-given-line-segments-intersect/
 
                 if num_zeros == 0:
                     # If the orientations of p0 and p1 have opposite signs
@@ -839,7 +844,12 @@ class Polygon(CompositeSurface):
                 elif num_zeros == 2:
                     continue
 
-                elif num_zeros == 4:
+                elif num_zeros == 3:
+                    warnings.warn('Unclear if Polygon is self-intersecting')
+                    continue
+
+                else:
+                    # All 4 cross products are zero
                     # Determine number of unique points, x span and y span for
                     # both line segments
                     #unique_pts = np.unique(np.vstack((p0, p1, p2, p3)), axis=0)
@@ -853,9 +863,6 @@ class Polygon(CompositeSurface):
                         raise ValueError('Polygon cannot be self-intersecting')
                     continue
 
-                else:
-                    warnings.warn('Unclear if Polygon is self-intersecting')
-
         return points
 
     def _constrain_triangulation(self, points, depth=0):

From 5470ec75b4215faa296bec05a203dcfb9d89d30e Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Mon, 6 Feb 2023 21:49:43 -0600
Subject: [PATCH 1546/2654] Avoid out-of-bounds access on
 index_inelastic_scatter_

---
 src/physics.cpp | 11 ++---------
 1 file changed, 2 insertions(+), 9 deletions(-)

diff --git a/src/physics.cpp b/src/physics.cpp
index 7cb8040f6..d924b72be 100644
--- a/src/physics.cpp
+++ b/src/physics.cpp
@@ -705,17 +705,10 @@ void scatter(Particle& p, int i_nuclide)
     // =======================================================================
     // INELASTIC SCATTERING
 
-    int j = 0;
+    int n = nuc->index_inelastic_scatter_.size();
     int i = 0;
-    while (prob < cutoff) {
+    for (int j = 0; j < n && prob < cutoff; ++j) {
       i = nuc->index_inelastic_scatter_[j];
-      ++j;
-
-      // Check to make sure inelastic scattering reaction sampled
-      if (i >= nuc->reactions_.size()) {
-        p.write_restart();
-        fatal_error("Did not sample any reaction for nuclide " + nuc->name_);
-      }
 
       // add to cumulative probability
       prob += nuc->reactions_[i]->xs(micro);

From ecebe25f367e9482b8c475f9484c32cddd2be338 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Tue, 7 Feb 2023 10:23:28 +0000
Subject: [PATCH 1547/2654] making error message more helpful with material
 name

---
 openmc/deplete/openmc_operator.py | 6 +++---
 1 file changed, 3 insertions(+), 3 deletions(-)

diff --git a/openmc/deplete/openmc_operator.py b/openmc/deplete/openmc_operator.py
index b00d83127..6233322ab 100644
--- a/openmc/deplete/openmc_operator.py
+++ b/openmc/deplete/openmc_operator.py
@@ -223,8 +223,9 @@ class OpenMCOperator(TransportOperator):
             if mat.depletable:
                 burnable_mats.add(str(mat.id))
                 if mat.volume is None:
-                    raise RuntimeError("Volume not specified for depletable "
-                                       "material with ID={}.".format(mat.id))
+                    msh = ("Volume not specified for depletable material with "
+                           f"ID={mat.id}. Name={mat.name}")
+                    raise RuntimeError(msh)
                 volume[str(mat.id)] = mat.volume
                 self.heavy_metal += mat.fissionable_mass
 
@@ -242,7 +243,6 @@ class OpenMCOperator(TransportOperator):
         for nuc in model_nuclides:
             if nuc not in nuclides:
                 nuclides.append(nuc)
-
         return burnable_mats, volume, nuclides
 
     def _load_previous_results(self):

From 016a5e5b3c3fdfe90bb9413958e2df0f371861a5 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Tue, 7 Feb 2023 10:24:39 +0000
Subject: [PATCH 1548/2654] moved full stop

---
 openmc/deplete/openmc_operator.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/deplete/openmc_operator.py b/openmc/deplete/openmc_operator.py
index 6233322ab..874a1da23 100644
--- a/openmc/deplete/openmc_operator.py
+++ b/openmc/deplete/openmc_operator.py
@@ -224,7 +224,7 @@ class OpenMCOperator(TransportOperator):
                 burnable_mats.add(str(mat.id))
                 if mat.volume is None:
                     msh = ("Volume not specified for depletable material with "
-                           f"ID={mat.id}. Name={mat.name}")
+                           f"ID={mat.id} Name={mat.name}.")
                     raise RuntimeError(msh)
                 volume[str(mat.id)] = mat.volume
                 self.heavy_metal += mat.fissionable_mass

From 0d4227fa1f1baaee6116973a12072ba53ac6631f Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Tue, 7 Feb 2023 12:26:11 +0000
Subject: [PATCH 1549/2654] added volume information to material repr

---
 openmc/material.py | 3 +++
 1 file changed, 3 insertions(+)

diff --git a/openmc/material.py b/openmc/material.py
index a213a53fd..28d38cb90 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -143,6 +143,9 @@ class Material(IDManagerMixin):
         string += '{: <16}=\t{}'.format('\tDensity', self._density)
         string += f' [{self._density_units}]\n'
 
+        string += '{: <16}=\t{}'.format('\tVolume', self._volume)
+        string += ' [cm3]\n'
+
         string += '{: <16}\n'.format('\tS(a,b) Tables')
 
         if self._ncrystal_cfg:

From 5f0e3e14fbf131c8bcf0ec0cf60ddf05bb7c8294 Mon Sep 17 00:00:00 2001
From: Ethan Peterson <ethan.peterson@mit.edu>
Date: Mon, 31 Oct 2022 12:18:09 -0400
Subject: [PATCH 1550/2654] added default filter shape and mesh filter shape

---
 openmc/filter.py | 10 ++++++++++
 1 file changed, 10 insertions(+)

diff --git a/openmc/filter.py b/openmc/filter.py
index 99b005351..bcd3dbc36 100644
--- a/openmc/filter.py
+++ b/openmc/filter.py
@@ -102,6 +102,8 @@ class Filter(IDManagerMixin, metaclass=FilterMeta):
         Unique identifier for the filter
     num_bins : Integral
         The number of filter bins
+    shape : tuple
+        The shape of the filter
 
     """
 
@@ -205,6 +207,10 @@ class Filter(IDManagerMixin, metaclass=FilterMeta):
     def num_bins(self):
         return len(self.bins)
 
+    @property
+    def shape(self):
+        return (self.num_bins,)
+
     def check_bins(self, bins):
         """Make sure given bins are valid for this filter.
 
@@ -839,6 +845,10 @@ class MeshFilter(Filter):
         else:
             self.bins = list(mesh.indices)
 
+    @property
+    def shape(self):
+        return self.mesh.dimension
+
     @property
     def translation(self):
         return self._translation

From 512c7e6556b37b45cd7e93eb04c1b1260f14c59c Mon Sep 17 00:00:00 2001
From: Ethan Peterson <ethan.peterson@mit.edu>
Date: Mon, 31 Oct 2022 12:47:13 -0400
Subject: [PATCH 1551/2654] modified get_reshaped_data

---
 openmc/tallies.py | 14 +++++++++++++-
 1 file changed, 13 insertions(+), 1 deletion(-)

diff --git a/openmc/tallies.py b/openmc/tallies.py
index b22cc4cf0..33a14974c 100644
--- a/openmc/tallies.py
+++ b/openmc/tallies.py
@@ -1440,11 +1440,23 @@ class Tally(IDManagerMixin):
         data = self.get_values(value=value)
 
         # Build a new array shape with one dimension per filter
-        new_shape = tuple(f.num_bins for f in self.filters)
+        new_shape = tuple()
+        idx0 = None
+        for i, f in enumerate(self.filters):
+            # Mesh filter indices are backwards so we need to flip them
+            if isinstance(f, openmc.MeshFilter):
+                fshape = f.shape[::-1]
+                new_shape += fshape
+                idx0, idx1 = i, i + len(fshape) - 1
+            else:
+                new_shape += f.shape
+
         new_shape += (self.num_nuclides, self.num_scores)
 
         # Reshape the data with one dimension for each filter
         data = np.reshape(data, new_shape)
+        if idx0 is not None:
+            data = np.swapaxes(data, idx0, idx1)
         return data
 
     def hybrid_product(self, other, binary_op, filter_product=None,

From 61efad0a8d63884f535fa4adce4e04b846f8c714 Mon Sep 17 00:00:00 2001
From: Ethan Peterson <ethan.peterson@mit.edu>
Date: Fri, 11 Nov 2022 12:10:10 -0500
Subject: [PATCH 1552/2654] added test and expand_dims kwarg

---
 openmc/tallies.py                    | 39 +++++++++++++++-------
 tests/unit_tests/test_filter_mesh.py | 48 ++++++++++++++++++++++++++--
 2 files changed, 73 insertions(+), 14 deletions(-)

diff --git a/openmc/tallies.py b/openmc/tallies.py
index 33a14974c..688369de0 100644
--- a/openmc/tallies.py
+++ b/openmc/tallies.py
@@ -1405,7 +1405,7 @@ class Tally(IDManagerMixin):
 
         return df
 
-    def get_reshaped_data(self, value='mean'):
+    def get_reshaped_data(self, value='mean', expand_dims=False):
         """Returns an array of tally data with one dimension per filter.
 
         The tally data in OpenMC is stored as a 3D array with the dimensions
@@ -1417,17 +1417,24 @@ class Tally(IDManagerMixin):
 
         This builds and returns a reshaped version of the tally data array with
         unique dimensions corresponding to each tally filter. For example,
-        suppose this tally has arrays of data with shape (8,5,5) corresponding
-        to two filters (2 and 4 bins, respectively), five nuclides and five
+        suppose this tally has arrays of data with shape (30,5,5) corresponding
+        to two filters (2 and 15 bins, respectively), five nuclides and five
         scores. This method will return a version of the data array with the
-        with a new shape of (2,4,5,5) such that the first two dimensions
-        correspond directly to the two filters with two and four bins.
+        with a new shape of (2,15,5,5) such that the first two dimensions
+        correspond directly to the two filters with two and fifteen bins. If
+        expand_dims is True and our filter above with 15 bins is an instance of
+        :class:`openmc.MeshFilter` with a shape of (3,5,1). The resulting tally
+        data array will have a new shape of (2,3,5,1,5,5).
 
         Parameters
         ----------
         value : str
             A string for the type of value to return  - 'mean' (default),
             'std_dev', 'rel_err', 'sum', or 'sum_sq' are accepted
+        expand_dims : bool, optional
+            Whether or not to expand the dimensions of filters with multiple
+            dimensions. This will result in more than one dimension per filter
+            for the returned data array.
 
         Returns
         -------
@@ -1439,24 +1446,32 @@ class Tally(IDManagerMixin):
         # Get the 3D array of data in filters, nuclides and scores
         data = self.get_values(value=value)
 
-        # Build a new array shape with one dimension per filter
+        # Build a new array shape with one dimension per filter or expand
+        # multidimensional filters if desired
         new_shape = tuple()
         idx0 = None
         for i, f in enumerate(self.filters):
-            # Mesh filter indices are backwards so we need to flip them
-            if isinstance(f, openmc.MeshFilter):
-                fshape = f.shape[::-1]
-                new_shape += fshape
-                idx0, idx1 = i, i + len(fshape) - 1
+            if expand_dims:
+                # Mesh filter indices are backwards so we need to flip them
+                if isinstance(f, openmc.MeshFilter):
+                    fshape = f.shape[::-1]
+                    new_shape += fshape
+                    idx0, idx1 = i, i + len(fshape) - 1
+                else:
+                    new_shape += f.shape
             else:
-                new_shape += f.shape
+                new_shape += (np.prod(f.shape),)
 
         new_shape += (self.num_nuclides, self.num_scores)
 
         # Reshape the data with one dimension for each filter
         data = np.reshape(data, new_shape)
+
+        # If we had a MeshFilter we should swap the axes to have the same shape
+        # for the data and the filter
         if idx0 is not None:
             data = np.swapaxes(data, idx0, idx1)
+
         return data
 
     def hybrid_product(self, other, binary_op, filter_product=None,
diff --git a/tests/unit_tests/test_filter_mesh.py b/tests/unit_tests/test_filter_mesh.py
index 265642360..3bb836e46 100644
--- a/tests/unit_tests/test_filter_mesh.py
+++ b/tests/unit_tests/test_filter_mesh.py
@@ -1,7 +1,10 @@
+import math
+
 import numpy as np
-import openmc
 from uncertainties import unumpy
 
+import openmc
+
 
 def test_spherical_mesh_estimators(run_in_tmpdir):
     """Test that collision/tracklength estimators agree for SphericalMesh"""
@@ -62,7 +65,8 @@ def test_cylindrical_mesh_estimators(run_in_tmpdir):
     mat.add_nuclide('U235', 1.0)
     mat.set_density('g/cm3', 10.0)
 
-    cyl = openmc.model.RightCircularCylinder((0., 0., -5.), 10., 10.0, boundary_type='vacuum')
+    cyl = openmc.model.RightCircularCylinder((0., 0., -5.), 10., 10.0,
+                                             boundary_type='vacuum')
     cell = openmc.Cell(fill=mat, region=-cyl)
     model = openmc.Model()
     model.geometry = openmc.Geometry([cell])
@@ -107,3 +111,43 @@ def test_cylindrical_mesh_estimators(run_in_tmpdir):
     diff = unumpy.nominal_values(delta)
     std_dev = unumpy.std_devs(delta)
     assert np.all(diff < 3*std_dev)
+
+def test_get_reshaped_data(run_in_tmpdir):
+    """Test that expanding MeshFilter dimensions works as expected"""
+
+    mat = openmc.Material()
+    mat.add_nuclide('U235', 1.0)
+    mat.set_density('g/cm3', 10.0)
+
+    sphere = openmc.Sphere(r=10.0, boundary_type='vacuum')
+    cell = openmc.Cell(fill=mat, region=-sphere)
+    model = openmc.Model()
+    model.geometry = openmc.Geometry([cell])
+    model.settings.particles = 1_000
+    model.settings.inactive = 10
+    model.settings.batches = 20
+
+    sph_mesh = openmc.SphericalMesh()
+    sph_mesh.r_grid = np.linspace(0.0, 5.0**3, 20)**(1/3)
+    sph_mesh.theta_grid = np.linspace(0, math.pi, 4)
+    sph_mesh.phi_grid = np.linspace(0, 2*math.pi, 3)
+    tally1 = openmc.Tally()
+    efilter = openmc.EnergyFilter([0, 1e5, 1e8])
+    meshfilter = openmc.MeshFilter(sph_mesh)
+    assert meshfilter.shape == (19, 3, 2)
+    tally1.filters = [efilter, meshfilter]
+    tally1.scores = ['flux']
+
+    model.tallies = openmc.Tallies([tally1])
+
+    # Run OpenMC
+    sp_filename = model.run()
+
+    # Get flux tally as reshaped data
+    with openmc.StatePoint(sp_filename) as sp:
+        t1 = sp.tallies[tally1.id]
+        data1 = t1.get_reshaped_data()
+        data2 = t1.get_reshaped_data(expand_dims=True)
+
+    assert data1.shape == (2, 19*3*2, 1, 1)
+    assert data2.shape == (2, 19, 3, 2, 1, 1)

From 653bec5fd8955ba4522d6b0f5a9542ebbe802c34 Mon Sep 17 00:00:00 2001
From: Ethan Peterson <ethan.peterson@mit.edu>
Date: Fri, 11 Nov 2022 13:20:14 -0500
Subject: [PATCH 1553/2654] added shape to aggregate filter

---
 openmc/arithmetic.py | 4 ++++
 1 file changed, 4 insertions(+)

diff --git a/openmc/arithmetic.py b/openmc/arithmetic.py
index 618c7c4a1..3655ef2a3 100644
--- a/openmc/arithmetic.py
+++ b/openmc/arithmetic.py
@@ -604,6 +604,10 @@ class AggregateFilter:
     def num_bins(self):
         return len(self.bins) if self.aggregate_filter else 0
 
+    @property
+    def shape(self):
+        return (self.num_bins,)
+
     @type.setter
     def type(self, filter_type):
         if filter_type not in _FILTER_TYPES:

From 63b826133653c5310635d2c924885f7b07fbc48c Mon Sep 17 00:00:00 2001
From: Ethan Peterson <ethan.peterson@mit.edu>
Date: Mon, 14 Nov 2022 20:33:59 -0500
Subject: [PATCH 1554/2654] treat MeshSurfaceFilter differently

---
 openmc/filter.py | 6 ++----
 1 file changed, 2 insertions(+), 4 deletions(-)

diff --git a/openmc/filter.py b/openmc/filter.py
index bcd3dbc36..17678e026 100644
--- a/openmc/filter.py
+++ b/openmc/filter.py
@@ -847,6 +847,8 @@ class MeshFilter(Filter):
 
     @property
     def shape(self):
+        if isinstance(self, MeshSurfaceFilter):
+            return (self.num_bins,)
         return self.mesh.dimension
 
     @property
@@ -968,8 +970,6 @@ class MeshSurfaceFilter(MeshFilter):
 
     Attributes
     ----------
-    bins : Integral
-        The mesh ID
     mesh : openmc.MeshBase
         The mesh object that events will be tallied onto
     translation : Iterable of float
@@ -978,10 +978,8 @@ class MeshSurfaceFilter(MeshFilter):
     id : int
         Unique identifier for the filter
     bins : list of tuple
-
         A list of mesh indices / surfaces for each filter bin, e.g. [(1, 1,
         'x-min out'), (1, 1, 'x-min in'), ...]
-
     num_bins : Integral
         The number of filter bins
 

From af16239684024712beec6ace9b74e3024ad34b20 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Wed, 8 Feb 2023 10:17:59 -0600
Subject: [PATCH 1555/2654] Updating mesh centre tests.

---
 tests/unit_tests/test_cylindrical_mesh.py | 21 ++++++++++-----
 tests/unit_tests/test_spherical_mesh.py   | 31 +++++++++++++++--------
 2 files changed, 35 insertions(+), 17 deletions(-)

diff --git a/tests/unit_tests/test_cylindrical_mesh.py b/tests/unit_tests/test_cylindrical_mesh.py
index e67f21b15..a9d3fd56a 100644
--- a/tests/unit_tests/test_cylindrical_mesh.py
+++ b/tests/unit_tests/test_cylindrical_mesh.py
@@ -28,7 +28,7 @@ def model():
     source.energy = openmc.stats.Discrete([10000], [1.0])
 
     settings = openmc.Settings()
-    settings.particles = 1000
+    settings.particles = 2000
     settings.batches = 10
     settings.run_mode = 'fixed source'
 
@@ -43,7 +43,7 @@ def model():
     mesh_filter = openmc.MeshFilter(mesh)
     tally.filters.append(mesh_filter)
 
-    tally.scores.append("heating")
+    tally.scores.append("flux")
 
     tallies = openmc.Tallies([tally])
 
@@ -63,7 +63,8 @@ def test_origin_read_write_to_xml(run_in_tmpdir, model):
     np.testing.assert_equal(new_mesh.origin, mesh.origin)
 
 estimators = ('tracklength', 'collision')
-origins = permutations([-geom_size, 0, 0])
+origins = set(permutations((-geom_size, 0, 0)))
+origins |= set(permutations((geom_size, 0, 0)))
 
 test_cases = product(estimators, origins)
 
@@ -91,8 +92,14 @@ def test_offset_mesh(model, estimator, origin):
         # so ensure that half of the bins are populated
         assert np.count_nonzero(tally.mean) == tally.mean.size / 2
 
-        # check that the lower half of the mesh contains a tally result
-        # and that the upper half is zero
+        # check that the half of the mesh that is outside of the geometry
+        # contains the zero values
         mean = tally.mean.reshape(mesh.dimension[::-1]).T
-        # assert np.count_nonzero(mean[:, :, :5]) == mean.size / 2
-        # assert np.count_nonzero(mean[:, :, 5:]) == 0
+        centroids = mesh.centroids
+        for ijk in mesh.indices:
+            i, j, k = np.array(ijk) - 1
+            print(centroids[:, i, j, k])
+            if model.geometry.find(centroids[:, i, j, k]):
+                mean[i, j, k] == 0.0
+            else:
+                mean[i, j, k] != 0.0
diff --git a/tests/unit_tests/test_spherical_mesh.py b/tests/unit_tests/test_spherical_mesh.py
index d6ac435c2..3cd8bbc5d 100644
--- a/tests/unit_tests/test_spherical_mesh.py
+++ b/tests/unit_tests/test_spherical_mesh.py
@@ -28,14 +28,14 @@ def model():
     source.energy = openmc.stats.Discrete([10000], [1.0])
 
     settings = openmc.Settings()
-    settings.particles = 1000
+    settings.particles = 2000
     settings.batches = 10
     settings.run_mode = 'fixed source'
 
     # build
     mesh = openmc.SphericalMesh()
-    mesh.phi_grid = np.linspace(0, 2*np.pi, 21)
-    mesh.theta_grid = np.linspace(0, np.pi, 11)
+    mesh.phi_grid = np.linspace(0, 2*np.pi, 13)
+    mesh.theta_grid = np.linspace(0, np.pi, 7)
     mesh.r_grid = np.linspace(0, geom_size, geom_size)
 
     tally = openmc.Tally()
@@ -43,7 +43,7 @@ def model():
     mesh_filter = openmc.MeshFilter(mesh)
     tally.filters.append(mesh_filter)
 
-    tally.scores.append("heating")
+    tally.scores.append("flux")
 
     tallies = openmc.Tallies([tally])
 
@@ -63,7 +63,12 @@ def test_origin_read_write_to_xml(run_in_tmpdir, model):
     np.testing.assert_equal(new_mesh.origin, mesh.origin)
 
 estimators = ('tracklength', 'collision')
-origins = permutations([-geom_size, 0, 0])
+# TODO: determine why this is needed for spherical mesh
+# but not cylindrical mesh
+offset = geom_size + 0.001
+
+origins = set(permutations((-offset, 0, 0)))
+origins |= set(permutations((offset, 0, 0)))
 
 test_cases = product(estimators, origins)
 
@@ -79,7 +84,7 @@ def test_offset_mesh(model, estimator, origin):
     """
     mesh = model.tallies[0].filters[0].mesh
     model.tallies[0].estimator = estimator
-    # move the center of the spherical mesh upwards
+    # move the center of the spherical mesh
     mesh.origin = origin
 
     sp_filename = model.run()
@@ -91,8 +96,14 @@ def test_offset_mesh(model, estimator, origin):
         # so ensure that half of the bins are populated
         assert np.count_nonzero(tally.mean) == tally.mean.size / 2
 
-        # check that the lower half of the mesh contains a tally result
-        # and that the upper half is zero
+        # check that the half of the mesh that is outside of the geometry
+        # contains the zero values
         mean = tally.mean.reshape(mesh.dimension[::-1]).T
-        # assert np.count_nonzero(mean[:, :, :5]) == mean.size / 2
-        # assert np.count_nonzero(mean[:, :, 5:]) == 0
+        centroids = mesh.centroids
+        for ijk in mesh.indices:
+            i, j, k = np.array(ijk) - 1
+            print(centroids[:, i, j, k])
+            if model.geometry.find(centroids[:, i, j, k]):
+                mean[i, j, k] == 0.0
+            else:
+                mean[i, j, k] != 0.0

From 8a5a5201063b2b6a29e56ab92c6c983cec98aac3 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <drshimwell@gmail.com>
Date: Thu, 9 Feb 2023 17:38:33 +0000
Subject: [PATCH 1556/2654] code review improvments from @paulromano

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/filter.py                 | 31 +++++++++++++++----------------
 tests/unit_tests/test_filters.py |  2 +-
 2 files changed, 16 insertions(+), 17 deletions(-)

diff --git a/openmc/filter.py b/openmc/filter.py
index 1bb5f9b14..e1c8611f9 100644
--- a/openmc/filter.py
+++ b/openmc/filter.py
@@ -1332,18 +1332,19 @@ class EnergyFilter(RealFilter):
             cv.check_greater_than('filter value', v0, 0., equality=True)
             cv.check_greater_than('filter value', v1, 0., equality=True)
 
-    def get_tabular(self, values, interpolation='histogram'):
-        """Creates a openmc.stats.Tabular distribution using the EnergyFilter
-        bins and the provided values. Intended use is to help convert a
-        spectrum tally into a source energy.
+    def get_tabular(self, values, **kwargs):
+        """Create a tabulated distribution based on tally results with an energy filter
+
+        This method provides an easy way to create a distribution in energy
+        (e.g., a source spectrum) based on tally results that were obtained from
+        using an :class:`~openmc.EnergyFilter`.
 
         Parameters
         ----------
-        values : np.array
-            Array of numeric values, typically a tally.mean from a spectrum tally
-        interpolation : {'histogram', 'linear-linear', 'linear-log', 'log-linear', 'log-log'}
-            Indicate whether the density function is constant between tabulated
-            points or linearly-interpolated. Defaults to 'histogram'.         
+        values : iterable of float
+            Array of numeric values, typically from a tally result
+        **kwargs
+            Keyword arguments passed to :class:`openmc.stats.Tabular`
 
         Returns
         -------
@@ -1351,15 +1352,13 @@ class EnergyFilter(RealFilter):
             Tabular distribution with histogram interpolation
         """
 
-        probabilities = values / sum(values)
+        probabilities = np.array(values)
+        probabilities /= probabilities.sum()
 
-        probability_per_ev = probabilities / np.diff(self.bins).flatten()
+        probability_per_ev = probabilities / np.diff(self.values)
 
-        return openmc.stats.Tabular(
-            x=self.bins,
-            p=probability_per_ev,
-            interpolation=interpolation
-        )
+        kwargs.setdefault('interpolation', 'histogram')
+        return openmc.stats.Tabular(self.bins, probability_per_ev, **kwargs)
 
     @property
     def lethargy_bin_width(self):
diff --git a/tests/unit_tests/test_filters.py b/tests/unit_tests/test_filters.py
index 485926f19..afe85cdde 100644
--- a/tests/unit_tests/test_filters.py
+++ b/tests/unit_tests/test_filters.py
@@ -273,7 +273,7 @@ def test_energyfunc():
 
 def test_tabular_from_energyfilter():
     efilter = openmc.EnergyFilter([0.0, 10.0, 20.0, 25.0])
-    tab = efilter.get_tabular(values=np.array([5, 10, 10]))
+    tab = efilter.get_tabular(values=[5, 10, 10])
 
     assert tab.x.tolist() == [[0.0, 10.0], [10.0, 20.0], [20.0, 25.0]]
 

From b41c8330f19923be3f59dd01bb3b8a5f4f13f526 Mon Sep 17 00:00:00 2001
From: Josh May <josh@radiantnuclear.com>
Date: Thu, 9 Feb 2023 09:41:23 -0800
Subject: [PATCH 1557/2654] Update openmc/universe.py

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/universe.py | 4 ----
 1 file changed, 4 deletions(-)

diff --git a/openmc/universe.py b/openmc/universe.py
index 3b8d0fe51..c56cce7ca 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -116,10 +116,6 @@ class UniverseBase(ABC, IDManagerMixin):
         """Deepcopy all parameters of an openmc.UniverseBase object except its cells.
         This should only be used from the openmc.UniverseBase.clone() context.
 
-        Returns
-        -------
-        None
-
         """
 
     def clone(self, clone_materials=True, clone_regions=True, memo=None):

From e6d8e3f4a74f1be2db6b22d11575c0951372090e Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <drshimwell@gmail.com>
Date: Thu, 9 Feb 2023 17:53:04 +0000
Subject: [PATCH 1558/2654] avoiding true divide erorr

---
 openmc/filter.py | 3 +--
 1 file changed, 1 insertion(+), 2 deletions(-)

diff --git a/openmc/filter.py b/openmc/filter.py
index e1c8611f9..d646cc019 100644
--- a/openmc/filter.py
+++ b/openmc/filter.py
@@ -1352,8 +1352,7 @@ class EnergyFilter(RealFilter):
             Tabular distribution with histogram interpolation
         """
 
-        probabilities = np.array(values)
-        probabilities /= probabilities.sum()
+        probabilities = np.array(values) / sum(values)
 
         probability_per_ev = probabilities / np.diff(self.values)
 

From b559d32d6849f8ef680a935afd33012c2a593490 Mon Sep 17 00:00:00 2001
From: shimwell <mail@jshimwell.com>
Date: Thu, 9 Feb 2023 19:47:29 +0000
Subject: [PATCH 1559/2654] custom error message for name is None

---
 openmc/deplete/openmc_operator.py | 8 +++++---
 1 file changed, 5 insertions(+), 3 deletions(-)

diff --git a/openmc/deplete/openmc_operator.py b/openmc/deplete/openmc_operator.py
index 874a1da23..9122b93d3 100644
--- a/openmc/deplete/openmc_operator.py
+++ b/openmc/deplete/openmc_operator.py
@@ -223,9 +223,11 @@ class OpenMCOperator(TransportOperator):
             if mat.depletable:
                 burnable_mats.add(str(mat.id))
                 if mat.volume is None:
-                    msh = ("Volume not specified for depletable material with "
-                           f"ID={mat.id} Name={mat.name}.")
-                    raise RuntimeError(msh)
+                    msg = ("Volume not specified for depletable material with "
+                           f"ID={mat.id}.")
+                    if mat.name is not None:
+                        msg = f"{msg[:-1]} Name={mat.name}."
+                    raise RuntimeError(msg)
                 volume[str(mat.id)] = mat.volume
                 self.heavy_metal += mat.fissionable_mass
 

From 853ef5ea49862f9c545948b4c8ecf18c3c228c41 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <drshimwell@gmail.com>
Date: Thu, 9 Feb 2023 19:51:46 +0000
Subject: [PATCH 1560/2654] 2nd round of review improvments from paulromano

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/filter.py                 | 7 +++++--
 tests/unit_tests/test_filters.py | 5 ++++-
 2 files changed, 9 insertions(+), 3 deletions(-)

diff --git a/openmc/filter.py b/openmc/filter.py
index d646cc019..cb1b57ed0 100644
--- a/openmc/filter.py
+++ b/openmc/filter.py
@@ -1352,12 +1352,15 @@ class EnergyFilter(RealFilter):
             Tabular distribution with histogram interpolation
         """
 
-        probabilities = np.array(values) / sum(values)
+        probabilities = np.array(values, dtype=float)
+        probabilities /= probabilities.sum()
 
+        # Determine probability per eV, adding extra 0 at the end since it is a histogram
         probability_per_ev = probabilities / np.diff(self.values)
+        probability_per_ev = np.append(probability_per_ev, 0.0)
 
         kwargs.setdefault('interpolation', 'histogram')
-        return openmc.stats.Tabular(self.bins, probability_per_ev, **kwargs)
+        return openmc.stats.Tabular(self.values, probability_per_ev, **kwargs)
 
     @property
     def lethargy_bin_width(self):
diff --git a/tests/unit_tests/test_filters.py b/tests/unit_tests/test_filters.py
index afe85cdde..d4f0edbf9 100644
--- a/tests/unit_tests/test_filters.py
+++ b/tests/unit_tests/test_filters.py
@@ -275,12 +275,15 @@ def test_tabular_from_energyfilter():
     efilter = openmc.EnergyFilter([0.0, 10.0, 20.0, 25.0])
     tab = efilter.get_tabular(values=[5, 10, 10])
 
-    assert tab.x.tolist() == [[0.0, 10.0], [10.0, 20.0], [20.0, 25.0]]
+    assert tab.x.tolist() == [0.0, 10.0, 20.0, 25.0]
 
     # combination of different values passed into get_tabular and different
     # width energy bins results in a doubling value for each p value
     assert tab.p.tolist() == [0.02, 0.04, 0.08]
 
+    # distribution should integrate to unity
+    assert tab.integral() == approx(1.0)
+
     # 'histogram' is the default
     assert tab.interpolation == 'histogram'
 

From eaddf91b6538e58c079d9eaca6f558db344fd644 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <drshimwell@gmail.com>
Date: Thu, 9 Feb 2023 21:19:11 +0000
Subject: [PATCH 1561/2654] Adding zero to end of test results

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 tests/unit_tests/test_filters.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/tests/unit_tests/test_filters.py b/tests/unit_tests/test_filters.py
index d4f0edbf9..0d34bfee3 100644
--- a/tests/unit_tests/test_filters.py
+++ b/tests/unit_tests/test_filters.py
@@ -279,7 +279,7 @@ def test_tabular_from_energyfilter():
 
     # combination of different values passed into get_tabular and different
     # width energy bins results in a doubling value for each p value
-    assert tab.p.tolist() == [0.02, 0.04, 0.08]
+    assert tab.p.tolist() == [0.02, 0.04, 0.08, 0.0]
 
     # distribution should integrate to unity
     assert tab.integral() == approx(1.0)

From c0391781ca8268989b064d71b2850246d12bf9c9 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Fri, 10 Feb 2023 09:22:10 +0000
Subject: [PATCH 1562/2654] changed error message to preferred option

---
 openmc/deplete/openmc_operator.py | 10 ++++++----
 1 file changed, 6 insertions(+), 4 deletions(-)

diff --git a/openmc/deplete/openmc_operator.py b/openmc/deplete/openmc_operator.py
index 9122b93d3..8a13bff7f 100644
--- a/openmc/deplete/openmc_operator.py
+++ b/openmc/deplete/openmc_operator.py
@@ -223,10 +223,12 @@ class OpenMCOperator(TransportOperator):
             if mat.depletable:
                 burnable_mats.add(str(mat.id))
                 if mat.volume is None:
-                    msg = ("Volume not specified for depletable material with "
-                           f"ID={mat.id}.")
-                    if mat.name is not None:
-                        msg = f"{msg[:-1]} Name={mat.name}."
+                    if mat.name is None:
+                        msg = ("Volume not specified for depletable material "
+                               f"with ID={mat.id}.")
+                    else:
+                        msg = ("Volume not specified for depletable material "
+                               f"with ID={mat.id} Name={mat.name}.")
                     raise RuntimeError(msg)
                 volume[str(mat.id)] = mat.volume
                 self.heavy_metal += mat.fissionable_mass

From 9c646b3f323ad0b52f8cfd35dfd35f6e2a3a2d10 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 27 Dec 2022 22:09:43 -0600
Subject: [PATCH 1563/2654] Fix CMFDMesh.grid setter

---
 openmc/cmfd.py                           | 6 ++----
 tests/regression_tests/cmfd_feed/test.py | 2 +-
 2 files changed, 3 insertions(+), 5 deletions(-)

diff --git a/openmc/cmfd.py b/openmc/cmfd.py
index 54c43f333..85550c495 100644
--- a/openmc/cmfd.py
+++ b/openmc/cmfd.py
@@ -246,7 +246,7 @@ class CMFDMesh:
                        Real)
             check_greater_than('CMFD mesh {}-grid length'.format(dims[i]),
                                len(grid[i]), 1)
-        self._grid = np.array(grid)
+        self._grid = [np.array(g) for g in grid]
         self._display_mesh_warning('rectilinear', 'CMFD mesh grid')
 
     def _display_mesh_warning(self, mesh_type, variable_label):
@@ -1382,9 +1382,7 @@ class CMFDRun:
 
         """
         # Write each element in vector to file
-        with open(base_filename+'.dat', 'w') as fh:
-            for val in vector:
-                fh.write('{:0.8f}\n'.format(val))
+        np.savetxt(f'{base_filename}.dat', vector, fmt='%.8f')
 
         # Save as numpy format
         np.save(base_filename, vector)
diff --git a/tests/regression_tests/cmfd_feed/test.py b/tests/regression_tests/cmfd_feed/test.py
index fa22b0fe3..d513dee2a 100644
--- a/tests/regression_tests/cmfd_feed/test.py
+++ b/tests/regression_tests/cmfd_feed/test.py
@@ -111,7 +111,7 @@ def test_cmfd_write_matrices():
     # Load flux vector from numpy output file
     flux_np = np.load('fluxvec.npy')
     # Load flux from data file
-    flux_dat = np.loadtxt("fluxvec.dat", delimiter='\n')
+    flux_dat = np.loadtxt("fluxvec.dat")
 
     # Compare flux from numpy file, .dat file, and from simulation
     assert(np.all(np.isclose(flux_np, cmfd_run._phi)))

From 990b5449f537139c93b0c0ed77610379cc8ece18 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 27 Dec 2022 22:10:33 -0600
Subject: [PATCH 1564/2654] Avoid use of np.float and np.int

---
 openmc/filter.py      |  2 +-
 openmc/mgxs/groups.py |  2 +-
 openmc/mgxs/mdgxs.py  |  4 ++--
 openmc/mgxs/mgxs.py   | 14 +++++++-------
 4 files changed, 11 insertions(+), 11 deletions(-)

diff --git a/openmc/filter.py b/openmc/filter.py
index 4d40117fe..11462a7fe 100644
--- a/openmc/filter.py
+++ b/openmc/filter.py
@@ -1741,7 +1741,7 @@ class DistribcellFilter(Filter):
         # Concatenate with DataFrame of distribcell instance IDs
         if level_df is not None:
             level_df = level_df.dropna(axis=1, how='all')
-            level_df = level_df.astype(np.int)
+            level_df = level_df.astype(int)
             df = pd.concat([level_df, df], axis=1)
 
         return df
diff --git a/openmc/mgxs/groups.py b/openmc/mgxs/groups.py
index f26218e03..d49f2d651 100644
--- a/openmc/mgxs/groups.py
+++ b/openmc/mgxs/groups.py
@@ -164,7 +164,7 @@ class EnergyGroups:
         if groups == 'all':
             return np.arange(self.num_groups)
         else:
-            indices = np.zeros(len(groups), dtype=np.int)
+            indices = np.zeros(len(groups), dtype=int)
 
         for i, group in enumerate(groups):
             cv.check_greater_than('group', group, 0)
diff --git a/openmc/mgxs/mdgxs.py b/openmc/mgxs/mdgxs.py
index 287a2961d..96192323e 100644
--- a/openmc/mgxs/mdgxs.py
+++ b/openmc/mgxs/mdgxs.py
@@ -586,7 +586,7 @@ class MDGXS(MGXS):
         if not isinstance(subdomains, str):
             cv.check_iterable_type('subdomains', subdomains, Integral)
         elif self.domain_type == 'distribcell':
-            subdomains = np.arange(self.num_subdomains, dtype=np.int)
+            subdomains = np.arange(self.num_subdomains, dtype=int)
         elif self.domain_type == 'mesh':
             xyz = [range(1, x + 1) for x in self.domain.dimension]
             subdomains = list(itertools.product(*xyz))
@@ -2473,7 +2473,7 @@ class MatrixMDGXS(MDGXS):
         if not isinstance(subdomains, str):
             cv.check_iterable_type('subdomains', subdomains, Integral)
         elif self.domain_type == 'distribcell':
-            subdomains = np.arange(self.num_subdomains, dtype=np.int)
+            subdomains = np.arange(self.num_subdomains, dtype=int)
         elif self.domain_type == 'mesh':
             xyz = [range(1, x + 1) for x in self.domain.dimension]
             subdomains = list(itertools.product(*xyz))
diff --git a/openmc/mgxs/mgxs.py b/openmc/mgxs/mgxs.py
index c93b42b88..1077896cc 100644
--- a/openmc/mgxs/mgxs.py
+++ b/openmc/mgxs/mgxs.py
@@ -918,7 +918,7 @@ class MGXS:
         # Sum the atomic number densities for all nuclides
         if nuclides == 'sum':
             nuclides = self.get_nuclides()
-            densities = np.zeros(1, dtype=np.float)
+            densities = np.zeros(1, dtype=float)
             for nuclide in nuclides:
                 densities[0] += self.get_nuclide_density(nuclide)
 
@@ -931,7 +931,7 @@ class MGXS:
 
         # Tabulate the atomic number densities for each specified nuclide
         else:
-            densities = np.zeros(len(nuclides), dtype=np.float)
+            densities = np.zeros(len(nuclides), dtype=float)
             for i, nuclide in enumerate(nuclides):
                 densities[i] = self.get_nuclide_density(nuclide)
 
@@ -1720,7 +1720,7 @@ class MGXS:
         if not isinstance(subdomains, str):
             cv.check_iterable_type('subdomains', subdomains, Integral)
         elif self.domain_type == 'distribcell':
-            subdomains = np.arange(self.num_subdomains, dtype=np.int)
+            subdomains = np.arange(self.num_subdomains, dtype=int)
         elif self.domain_type == 'mesh':
             subdomains = list(self.domain.indices)
         else:
@@ -1887,7 +1887,7 @@ class MGXS:
         if not isinstance(subdomains, str):
             cv.check_iterable_type('subdomains', subdomains, Integral)
         elif self.domain_type == 'distribcell':
-            subdomains = np.arange(self.num_subdomains, dtype=np.int)
+            subdomains = np.arange(self.num_subdomains, dtype=int)
         elif self.domain_type == 'sum(distribcell)':
             domain_filter = self.xs_tally.find_filter('sum(distribcell)')
             subdomains = domain_filter.bins
@@ -1900,7 +1900,7 @@ class MGXS:
         if self.by_nuclide:
             if nuclides == 'all':
                 nuclides = self.get_nuclides()
-                densities = np.zeros(len(nuclides), dtype=np.float)
+                densities = np.zeros(len(nuclides), dtype=float)
             elif nuclides == 'sum':
                 nuclides = ['sum']
             else:
@@ -2447,7 +2447,7 @@ class MatrixMGXS(MGXS):
         if not isinstance(subdomains, str):
             cv.check_iterable_type('subdomains', subdomains, Integral)
         elif self.domain_type == 'distribcell':
-            subdomains = np.arange(self.num_subdomains, dtype=np.int)
+            subdomains = np.arange(self.num_subdomains, dtype=int)
         elif self.domain_type == 'mesh':
             subdomains = list(self.domain.indices)
         else:
@@ -4785,7 +4785,7 @@ class ScatterMatrixXS(MatrixMGXS):
         if not isinstance(subdomains, str):
             cv.check_iterable_type('subdomains', subdomains, Integral)
         elif self.domain_type == 'distribcell':
-            subdomains = np.arange(self.num_subdomains, dtype=np.int)
+            subdomains = np.arange(self.num_subdomains, dtype=int)
         elif self.domain_type == 'mesh':
             subdomains = list(self.domain.indices)
         else:

From 956e3f43414e57b0034764973b9ac3486bf02418 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 30 Nov 2022 14:21:21 -0600
Subject: [PATCH 1565/2654] Make sure correct direction is applied when fission
 neutrons are anisotropic

---
 include/openmc/physics.h |  4 ++--
 src/physics.cpp          | 14 ++++++++------
 2 files changed, 10 insertions(+), 8 deletions(-)

diff --git a/include/openmc/physics.h b/include/openmc/physics.h
index 6e7327d38..f62f43a02 100644
--- a/include/openmc/physics.h
+++ b/include/openmc/physics.h
@@ -87,8 +87,8 @@ Direction sample_target_velocity(const Nuclide& nuc, double E, Direction u,
 Direction sample_cxs_target_velocity(
   double awr, double E, Direction u, double kT, uint64_t* seed);
 
-void sample_fission_neutron(int i_nuclide, const Reaction& rx, double E_in,
-  SourceSite* site, uint64_t* seed);
+void sample_fission_neutron(
+  int i_nuclide, const Reaction& rx, SourceSite* site, Particle& p);
 
 //! handles all reactions with a single secondary neutron (other than fission),
 //! i.e. level scattering, (n,np), (n,na), etc.
diff --git a/src/physics.cpp b/src/physics.cpp
index 7cb8040f6..2b3f534a1 100644
--- a/src/physics.cpp
+++ b/src/physics.cpp
@@ -212,7 +212,7 @@ void create_fission_sites(Particle& p, int i_nuclide, const Reaction& rx)
     site.surf_id = 0;
 
     // Sample delayed group and angle/energy for fission reaction
-    sample_fission_neutron(i_nuclide, rx, p.E(), &site, p.current_seed());
+    sample_fission_neutron(i_nuclide, rx, &site, p);
 
     // Store fission site in bank
     if (use_fission_bank) {
@@ -1031,9 +1031,13 @@ Direction sample_cxs_target_velocity(
   return vt * rotate_angle(u, mu, nullptr, seed);
 }
 
-void sample_fission_neutron(int i_nuclide, const Reaction& rx, double E_in,
-  SourceSite* site, uint64_t* seed)
+void sample_fission_neutron(
+  int i_nuclide, const Reaction& rx, SourceSite* site, Particle& p)
 {
+  // Get attributes of particle
+  double E_in = p.E();
+  uint64_t* seed = p.current_seed();
+
   // Determine total nu, delayed nu, and delayed neutron fraction
   const auto& nuc {data::nuclides[i_nuclide]};
   double nu_t = nuc->nu(E_in, Nuclide::EmissionMode::total);
@@ -1096,9 +1100,7 @@ void sample_fission_neutron(int i_nuclide, const Reaction& rx, double E_in,
   }
 
   // Sample azimuthal angle uniformly in [0, 2*pi) and assign angle
-  // TODO: account for dependence on incident neutron?
-  Direction ref(1., 0., 0.);
-  site->u = rotate_angle(ref, mu, nullptr, seed);
+  site->u = rotate_angle(p.u(), mu, nullptr, seed);
 }
 
 void inelastic_scatter(const Nuclide& nuc, const Reaction& rx, Particle& p)

From 6a790df0bef2a4fbb66bfc2d7253d2a59ee71a3b Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 27 Dec 2022 22:43:42 -0600
Subject: [PATCH 1566/2654] Update micro_xs regression test with update option

---
 tests/regression_tests/microxs/test.py | 8 ++++++--
 1 file changed, 6 insertions(+), 2 deletions(-)

diff --git a/tests/regression_tests/microxs/test.py b/tests/regression_tests/microxs/test.py
index dbfe3357b..f92f61479 100644
--- a/tests/regression_tests/microxs/test.py
+++ b/tests/regression_tests/microxs/test.py
@@ -4,9 +4,10 @@ from pathlib import Path
 import numpy as np
 import pytest
 import openmc
-
 from openmc.deplete import MicroXS
 
+from tests.regression_tests import config
+
 CHAIN_FILE = Path(__file__).parents[2] / "chain_simple.xml"
 
 @pytest.fixture(scope="module")
@@ -46,7 +47,10 @@ def model():
 
 
 def test_from_model(model):
-    ref_xs = MicroXS.from_csv('test_reference.csv')
     test_xs = MicroXS.from_model(model, model.materials[0], CHAIN_FILE)
+    if config['update']:
+        test_xs.to_csv('test_reference.csv')
+
+    ref_xs = MicroXS.from_csv('test_reference.csv')
 
     np.testing.assert_allclose(test_xs, ref_xs, rtol=1e-11)

From fcdac0759ef109b37e318bca4ff31363d00e138b Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 27 Dec 2022 22:51:31 -0600
Subject: [PATCH 1567/2654] Remove numpy version hardcoding in pyproject.toml /
 GHA

---
 pyproject.toml          | 2 +-
 tools/ci/gha-install.sh | 5 +----
 2 files changed, 2 insertions(+), 5 deletions(-)

diff --git a/pyproject.toml b/pyproject.toml
index ac6735593..d5970617a 100644
--- a/pyproject.toml
+++ b/pyproject.toml
@@ -1,2 +1,2 @@
 [build-system]
-requires = ["setuptools", "wheel", "numpy<1.22", "cython"]
+requires = ["setuptools", "wheel", "numpy", "cython"]
diff --git a/tools/ci/gha-install.sh b/tools/ci/gha-install.sh
index 7854a9dfc..fb81fcea2 100755
--- a/tools/ci/gha-install.sh
+++ b/tools/ci/gha-install.sh
@@ -2,12 +2,9 @@
 set -ex
 
 # Upgrade pip, pytest, numpy before doing anything else.
-# TODO: numpy 1.22 results in several failing tests, so we force a lower version
-# for now (similar change made in pyproject.toml). When this is removed, those
-# tests will need to be updated.
 pip install --upgrade pip
 pip install --upgrade pytest
-pip install --upgrade "numpy<1.22"
+pip install --upgrade numpy
 
 # Install NJOY 2016
 ./tools/ci/gha-install-njoy.sh

From 091241070f33916208d732dab41d84ab73ca24fd Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 23 Dec 2022 10:48:00 -0600
Subject: [PATCH 1568/2654] Update test results with numpy 1.24 and anisotropic
 fission

---
 .../adj_cell_rotation/results_true.dat        |     2 +-
 .../asymmetric_lattice/results_true.dat       |     2 +-
 .../cmfd_feed/results_true.dat                |   614 +-
 .../cmfd_feed_2g/results_true.dat             |   536 +-
 .../results_true.dat                          |   564 +-
 .../cmfd_feed_ng/results_true.dat             |   708 +-
 .../cmfd_feed_rectlin/results_true.dat        |   780 +-
 .../cmfd_feed_ref_d/results_true.dat          |   564 +-
 .../cmfd_feed_rolling_window/results_true.dat |   564 +-
 .../cmfd_nofeed/results_true.dat              |   614 +-
 .../cmfd_restart/results_true.dat             |   614 +-
 .../complex_cell/results_true.dat             |    18 +-
 .../confidence_intervals/results_true.dat     |     6 +-
 .../dagmc/external/results_true.dat           |     6 +-
 .../dagmc/legacy/results_true.dat             |     6 +-
 .../dagmc/refl/results_true.dat               |     6 +-
 .../dagmc/universes/results_true.dat          |     2 +-
 .../regression_tests/density/results_true.dat |     2 +-
 .../last_step_reference_materials.xml         |  1296 +-
 .../deplete_with_transport/test_reference.h5  |   Bin 163736 -> 163736 bytes
 .../diff_tally/results_true.dat               |   220 +-
 .../distribmat/results_true.dat               |     2 +-
 .../eigenvalue_genperbatch/results_true.dat   |     6 +-
 .../eigenvalue_no_inactive/results_true.dat   |     2 +-
 .../energy_grid/results_true.dat              |     2 +-
 .../regression_tests/entropy/results_true.dat |    20 +-
 .../filter_cellinstance/results_true.dat      |   162 +-
 .../case-3/results_true.dat                   |     2 +-
 .../filter_mesh/results_true.dat              |     2 +-
 .../filter_translations/results_true.dat      |   674 +-
 .../infinite_cell/results_true.dat            |     2 +-
 .../iso_in_lab/results_true.dat               |     2 +-
 .../regression_tests/lattice/results_true.dat |     2 +-
 .../lattice_hex/results_true.dat              |     2 +-
 .../lattice_hex_coincident/results_true.dat   |     2 +-
 .../lattice_hex_x/results_true.dat            |     2 +-
 .../lattice_multiple/results_true.dat         |     2 +-
 .../lattice_rotated/results_true.dat          |     2 +-
 .../mgxs_library_ce_to_mg/results_true.dat    |     2 +-
 .../results_true.dat                          |     2 +-
 .../mgxs_library_condense/results_true.dat    |   604 +-
 .../mgxs_library_correction/results_true.dat  |    80 +-
 .../mgxs_library_distribcell/results_true.dat |   126 +-
 .../mgxs_library_hdf5/results_true.dat        |   274 +-
 .../mgxs_library_histogram/results_true.dat   |   672 +-
 .../mgxs_library_mesh/results_true.dat        |   542 +-
 .../mgxs_library_no_nuclides/results_true.dat |   858 +-
 .../mgxs_library_nuclides/results_true.dat    |     2 +-
 .../microxs/test_reference.csv                |    24 +-
 .../multipole/results_true.dat                |    54 +-
 .../regression_tests/output/results_true.dat  |     2 +-
 .../periodic/results_true.dat                 |     2 +-
 .../periodic_6fold/results_true.dat           |     2 +-
 .../periodic_hex/results_true.dat             |     2 +-
 .../results_true.dat                          |    58 +-
 .../ptables_off/results_true.dat              |     2 +-
 .../quadric_surfaces/results_true.dat         |     2 +-
 .../reflective_plane/results_true.dat         |     2 +-
 .../resonance_scattering/results_true.dat     |     2 +-
 .../rotation/results_true.dat                 |     2 +-
 .../salphabeta/results_true.dat               |     2 +-
 .../score_current/results_true.dat            |  3178 +-
 tests/regression_tests/seed/results_true.dat  |     2 +-
 .../regression_tests/source/results_true.dat  |     2 +-
 .../source_file/results_true.dat              |     2 +-
 .../source_mcpl_file/results_true.dat         |     2 +-
 .../sourcepoint_batch/results_true.dat        |     4 +-
 .../sourcepoint_latest/results_true.dat       |     2 +-
 .../sourcepoint_restart/results_true.dat      |  1472 +-
 .../statepoint_batch/results_true.dat         |     2 +-
 .../statepoint_restart/results_true.dat       |  2146 +-
 .../statepoint_sourcesep/results_true.dat     |     2 +-
 .../surface_source/surface_source_true.h5     |   Bin 106144 -> 106144 bytes
 .../surface_tally/results_true.dat            |    84 +-
 .../survival_biasing/results_true.dat         |    34 +-
 .../regression_tests/tallies/results_true.dat |     2 +-
 .../tally_aggregation/results_true.dat        |   194 +-
 .../tally_arithmetic/results_true.dat         |    98 +-
 .../tally_assumesep/results_true.dat          |    14 +-
 .../tally_nuclides/results_true.dat           |    50 +-
 .../tally_slice_merge/results_true.dat        |   104 +-
 tests/regression_tests/torus/results_true.dat |     2 +-
 tests/regression_tests/trace/results_true.dat |     2 +-
 .../track_output/results_true.dat             |   194 +-
 .../translation/results_true.dat              |     2 +-
 .../trigger_batch_interval/results_true.dat   |    50 +-
 .../results_true.dat                          |    50 +-
 .../trigger_no_status/results_true.dat        |    50 +-
 .../results_true.dat                          |     6 +-
 .../trigger_tallies/results_true.dat          |    50 +-
 tests/regression_tests/triso/results_true.dat |     2 +-
 .../uniform_fs/results_true.dat               |     2 +-
 .../universe/results_true.dat                 |     2 +-
 .../unstructured_mesh/results_true.dat        | 30000 +++-------------
 .../white_plane/results_true.dat              |     2 +-
 tests/unit_tests/test_deplete_resultslist.py  |    10 +-
 96 files changed, 13550 insertions(+), 35598 deletions(-)

diff --git a/tests/regression_tests/adj_cell_rotation/results_true.dat b/tests/regression_tests/adj_cell_rotation/results_true.dat
index 2bdfe4330..b3df12e71 100644
--- a/tests/regression_tests/adj_cell_rotation/results_true.dat
+++ b/tests/regression_tests/adj_cell_rotation/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-4.381997E-01 1.286263E-03
+4.403987E-01 1.514158E-03
diff --git a/tests/regression_tests/asymmetric_lattice/results_true.dat b/tests/regression_tests/asymmetric_lattice/results_true.dat
index 66ee9cdd2..741327d80 100644
--- a/tests/regression_tests/asymmetric_lattice/results_true.dat
+++ b/tests/regression_tests/asymmetric_lattice/results_true.dat
@@ -1 +1 @@
-73bae264aaca0988fd2ae207722461d161ddbcf9aef083b99a2efc536b09665bbe839d6cae89b32ebab3089a820a2c35ae63a88d5869f0c91b0d6c2f2e090e55
\ No newline at end of file
+b0ca1fb0436732188b1a199b3250ca9a33782f8fc379b0f7ff9c582e0c794b0a0470df063cafd0b05e802b26f61eaaf9ff5c0a8a672a933246acf49eed3ebf9f
\ No newline at end of file
diff --git a/tests/regression_tests/cmfd_feed/results_true.dat b/tests/regression_tests/cmfd_feed/results_true.dat
index 90d8820d0..f5f22d9ac 100644
--- a/tests/regression_tests/cmfd_feed/results_true.dat
+++ b/tests/regression_tests/cmfd_feed/results_true.dat
@@ -1,117 +1,117 @@
 k-combined:
-1.159021E+00 8.924006E-03
+1.164262E+00 9.207592E-03
 tally 1:
-1.140162E+01
-1.306940E+01
-2.093739E+01
-4.404780E+01
-2.914408E+01
-8.521010E+01
-3.483677E+01
-1.216824E+02
-3.778463E+01
-1.429632E+02
-3.810371E+01
-1.455108E+02
-3.465248E+01
-1.207868E+02
-2.862033E+01
-8.218833E+01
-2.086025E+01
-4.365941E+01
-1.130798E+01
-1.286509E+01
+1.156972E+01
+1.339924E+01
+2.136306E+01
+4.567185E+01
+2.859527E+01
+8.195821E+01
+3.470754E+01
+1.207851E+02
+3.766403E+01
+1.422263E+02
+3.778821E+01
+1.432660E+02
+3.573197E+01
+1.278854E+02
+2.849979E+01
+8.135515E+01
+2.073803E+01
+4.303374E+01
+1.112117E+01
+1.242944E+01
 tally 2:
-2.234393E+01
-2.516414E+01
-1.555024E+01
-1.218205E+01
-4.087743E+01
-8.401702E+01
-2.883717E+01
-4.185393E+01
-5.635166E+01
-1.595225E+02
-3.998857E+01
-8.040398E+01
-6.887126E+01
-2.379185E+02
-4.903103E+01
-1.206174E+02
-7.452051E+01
-2.785675E+02
-5.295380E+01
-1.406900E+02
-7.495422E+01
-2.819070E+02
-5.333191E+01
-1.427474E+02
-6.921815E+01
-2.408568E+02
-4.928246E+01
-1.221076E+02
-5.668548E+01
-1.612556E+02
-4.035856E+01
-8.181159E+01
-4.259952E+01
-9.112630E+01
-3.026717E+01
-4.600625E+01
-2.310563E+01
-2.688378E+01
-1.615934E+01
-1.315528E+01
+2.388054E+01
+2.875255E+01
+1.667791E+01
+1.403426E+01
+4.224771E+01
+8.942109E+01
+2.993088E+01
+4.490335E+01
+5.689839E+01
+1.625557E+02
+4.043633E+01
+8.212299E+01
+6.764024E+01
+2.297126E+02
+4.807902E+01
+1.161468E+02
+7.314835E+01
+2.684645E+02
+5.203584E+01
+1.359261E+02
+7.375727E+01
+2.733105E+02
+5.252944E+01
+1.386205E+02
+6.909571E+01
+2.397721E+02
+4.922548E+01
+1.217465E+02
+5.685978E+01
+1.621746E+02
+4.051938E+01
+8.237277E+01
+4.185562E+01
+8.784067E+01
+2.983570E+01
+4.467414E+01
+2.238373E+01
+2.520356E+01
+1.566758E+01
+1.234103E+01
 tally 3:
-1.496375E+01
-1.128154E+01
-9.905641E-01
-5.125710E-02
-2.774937E+01
-3.877241E+01
-1.786861E+00
-1.627655E-01
-3.849739E+01
-7.453828E+01
-2.494135E+00
-3.158098E-01
-4.724085E+01
-1.119901E+02
-3.031174E+00
-4.653741E-01
-5.096719E+01
-1.303552E+02
-3.254375E+00
-5.351020E-01
-5.133808E+01
-1.322892E+02
-3.383595E+00
-5.798798E-01
-4.756072E+01
-1.137527E+02
-3.001917E+00
-4.558247E-01
-3.887437E+01
-7.593416E+01
-2.517908E+00
-3.221926E-01
-2.910687E+01
-4.255173E+01
-1.817765E+00
-1.678763E-01
-1.557241E+01
-1.222026E+01
-9.852737E-01
-5.002659E-02
+1.609520E+01
+1.307542E+01
+1.033429E+00
+5.510889E-02
+2.877073E+01
+4.149542E+01
+1.964219E+00
+1.954692E-01
+3.896816E+01
+7.629752E+01
+2.484053E+00
+3.103733E-01
+4.634285E+01
+1.079367E+02
+2.974750E+00
+4.468223E-01
+5.007964E+01
+1.259202E+02
+3.181802E+00
+5.103621E-01
+5.058915E+01
+1.286193E+02
+3.249442E+00
+5.337712E-01
+4.744464E+01
+1.131026E+02
+3.067644E+00
+4.736335E-01
+3.900632E+01
+7.634433E+01
+2.443552E+00
+3.028060E-01
+2.874166E+01
+4.146375E+01
+1.810421E+00
+1.671667E-01
+1.509222E+01
+1.145579E+01
+1.014919E+00
+5.391053E-02
 tally 4:
-3.047490E+00
-4.661458E-01
+3.148231E+00
+4.974555E-01
 0.000000E+00
 0.000000E+00
-2.635775E+00
-3.524426E-01
-5.357229E+00
-1.440049E+00
+2.805439E+00
+3.982239E-01
+5.574031E+00
+1.561105E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -128,14 +128,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-5.357229E+00
-1.440049E+00
-2.635775E+00
-3.524426E-01
-4.982072E+00
-1.251449E+00
-7.228146E+00
-2.620353E+00
+5.574031E+00
+1.561105E+00
+2.805439E+00
+3.982239E-01
+5.171038E+00
+1.344877E+00
+7.372031E+00
+2.725420E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -152,14 +152,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-7.228146E+00
-2.620353E+00
-4.982072E+00
-1.251449E+00
-7.082265E+00
-2.520047E+00
-8.736529E+00
-3.831244E+00
+7.372031E+00
+2.725420E+00
+5.171038E+00
+1.344877E+00
+6.946847E+00
+2.424850E+00
+8.496610E+00
+3.627542E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -176,14 +176,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-8.736529E+00
-3.831244E+00
-7.082265E+00
-2.520047E+00
-8.474631E+00
-3.607043E+00
-9.346623E+00
-4.390819E+00
+8.496610E+00
+3.627542E+00
+6.946847E+00
+2.424850E+00
+8.479501E+00
+3.607280E+00
+9.261869E+00
+4.305912E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -200,14 +200,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-9.346623E+00
-4.390819E+00
-8.474631E+00
-3.607043E+00
-9.496684E+00
-4.522478E+00
-9.532822E+00
-4.559003E+00
+9.261869E+00
+4.305912E+00
+8.479501E+00
+3.607280E+00
+9.232858E+00
+4.278432E+00
+9.306384E+00
+4.348594E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -224,14 +224,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-9.532822E+00
-4.559003E+00
-9.496684E+00
-4.522478E+00
-9.404949E+00
-4.446260E+00
-8.550930E+00
-3.668401E+00
+9.306384E+00
+4.348594E+00
+9.232858E+00
+4.278432E+00
+9.299764E+00
+4.347828E+00
+8.511976E+00
+3.639893E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -248,14 +248,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-8.550930E+00
-3.668401E+00
-9.404949E+00
-4.446260E+00
-8.785273E+00
-3.874792E+00
-7.128863E+00
-2.554326E+00
+8.511976E+00
+3.639893E+00
+9.299764E+00
+4.347828E+00
+8.726086E+00
+3.819567E+00
+7.147277E+00
+2.562747E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -272,14 +272,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-7.128863E+00
-2.554326E+00
-8.785273E+00
-3.874792E+00
-7.408549E+00
-2.755885E+00
-5.094992E+00
-1.305737E+00
+7.147277E+00
+2.562747E+00
+8.726086E+00
+3.819567E+00
+7.218790E+00
+2.612243E+00
+5.018287E+00
+1.263077E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -296,14 +296,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-5.094992E+00
-1.305737E+00
-7.408549E+00
-2.755885E+00
-5.532149E+00
-1.537289E+00
-2.812344E+00
-3.997146E-01
+5.018287E+00
+1.263077E+00
+7.218790E+00
+2.612243E+00
+5.443494E+00
+1.487018E+00
+2.732334E+00
+3.773047E-01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -320,12 +320,12 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-2.812344E+00
-3.997146E-01
-5.532149E+00
-1.537289E+00
-3.063251E+00
-4.728672E-01
+2.732334E+00
+3.773047E-01
+5.443494E+00
+1.487018E+00
+3.044773E+00
+4.655756E-01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -345,144 +345,144 @@ tally 4:
 0.000000E+00
 0.000000E+00
 tally 5:
-1.496000E+01
-1.127586E+01
-2.280081E+00
-2.675609E-01
-2.774503E+01
-3.876011E+01
-3.908836E+00
-7.703029E-01
-3.848706E+01
-7.449836E+01
-5.299924E+00
-1.422782E+00
-4.723172E+01
-1.119459E+02
-6.450156E+00
-2.105590E+00
-5.095931E+01
-1.303132E+02
-7.050681E+00
-2.515092E+00
-5.133412E+01
-1.322694E+02
-6.853429E+00
-2.384127E+00
-4.754621E+01
-1.136848E+02
-6.370026E+00
-2.058896E+00
-3.886829E+01
-7.591042E+01
-5.266816E+00
-1.400495E+00
-2.910277E+01
-4.253981E+01
-4.090844E+00
-8.442500E-01
-1.556949E+01
-1.221526E+01
-2.266123E+00
-2.641551E-01
+1.609029E+01
+1.306718E+01
+2.230601E+00
+2.559496E-01
+2.876780E+01
+4.148686E+01
+3.835952E+00
+7.456562E-01
+3.895738E+01
+7.625344E+01
+4.841024E+00
+1.197335E+00
+4.633595E+01
+1.079043E+02
+6.236821E+00
+1.963311E+00
+5.007472E+01
+1.258967E+02
+6.749745E+00
+2.297130E+00
+5.058336E+01
+1.285894E+02
+6.727612E+00
+2.315656E+00
+4.743869E+01
+1.130735E+02
+6.338193E+00
+2.042159E+00
+3.899838E+01
+7.631289E+01
+5.187573E+00
+1.359733E+00
+2.873434E+01
+4.144233E+01
+3.815610E+00
+7.367619E-01
+1.509020E+01
+1.145268E+01
+2.125767E+00
+2.341894E-01
 cmfd indices
 1.000000E+01
 1.000000E+00
 1.000000E+00
 1.000000E+00
 k cmfd
-1.161531E+00
-1.182724E+00
-1.169653E+00
-1.164722E+00
-1.164583E+00
-1.162952E+00
-1.167024E+00
-1.164509E+00
-1.165693E+00
-1.170623E+00
-1.166618E+00
-1.170805E+00
-1.170962E+00
-1.170964E+00
-1.168224E+00
-1.169864E+00
+1.129918E+00
+1.143848E+00
+1.147976E+00
+1.151534E+00
+1.152378E+00
+1.148219E+00
+1.150402E+00
+1.154647E+00
+1.156159E+00
+1.160048E+00
+1.167441E+00
+1.168163E+00
+1.168629E+00
+1.164120E+00
+1.165051E+00
+1.169177E+00
 cmfd entropy
-3.206619E+00
-3.205815E+00
-3.208678E+00
-3.210820E+00
-3.217023E+00
-3.215014E+00
-3.214592E+00
-3.215913E+00
-3.214998E+00
-3.213644E+00
-3.210755E+00
-3.210496E+00
-3.212488E+00
-3.211553E+00
-3.212999E+00
-3.214052E+00
+3.224769E+00
+3.225945E+00
+3.227421E+00
+3.226174E+00
+3.224429E+00
+3.227049E+00
+3.230710E+00
+3.230315E+00
+3.226825E+00
+3.226655E+00
+3.226588E+00
+3.224155E+00
+3.223246E+00
+3.222640E+00
+3.223920E+00
+3.222838E+00
 cmfd balance
-4.99833E-03
-5.64677E-03
-3.62795E-03
-3.91962E-03
-3.87172E-03
-2.48450E-03
-3.15554E-03
-2.49335E-03
-2.31973E-03
-2.19156E-03
-2.31352E-03
-2.03401E-03
-1.80242E-03
-1.65868E-03
-1.47543E-03
-1.49706E-03
+3.90454E-03
+4.08089E-03
+3.46511E-03
+4.09535E-03
+2.62009E-03
+2.23559E-03
+2.54033E-03
+2.12799E-03
+2.25864E-03
+1.85766E-03
+1.49916E-03
+1.63471E-03
+1.48377E-03
+1.59800E-03
+1.37354E-03
+1.32853E-03
 cmfd dominance ratio
-5.283E-01
-5.289E-01
-5.305E-01
-5.327E-01
-5.377E-01
-5.360E-01
-5.353E-01
-4.983E-01
-5.379E-01
-5.370E-01
-5.359E-01
-5.349E-01
-5.364E-01
-5.347E-01
-5.360E-01
-5.378E-01
+5.539E-01
+5.537E-01
+5.536E-01
+5.515E-01
+5.512E-01
+5.514E-01
+5.518E-01
+5.507E-01
+5.500E-01
+5.497E-01
+5.477E-01
+5.461E-01
+5.444E-01
+5.445E-01
+5.454E-01
+5.441E-01
 cmfd openmc source comparison
-1.291827E-02
-1.027137E-02
-8.738370E-03
-6.854409E-03
-4.188357E-03
-4.941359E-03
-5.139239E-03
-4.244784E-03
-4.240559E-03
-3.375424E-03
-3.716858E-03
-3.595700E-03
-3.626952E-03
-3.999302E-03
-2.431760E-03
-1.673200E-03
+9.875240E-03
+1.106163E-02
+9.847628E-03
+6.065921E-03
+5.772039E-03
+4.615656E-03
+4.244331E-03
+3.694299E-03
+3.545814E-03
+3.213063E-03
+3.467537E-03
+3.383489E-03
+3.697591E-03
+3.937358E-03
+3.369124E-03
+3.190359E-03
 cmfd source
-4.185460E-02
-7.636314E-02
-1.075536E-01
-1.307167E-01
-1.400879E-01
-1.459944E-01
-1.297413E-01
-1.084649E-01
-7.772031E-02
-4.150306E-02
+4.360494E-02
+8.397599E-02
+1.074181E-01
+1.294531E-01
+1.385611E-01
+1.407934E-01
+1.325191E-01
+1.044311E-01
+7.660359E-02
+4.263941E-02
diff --git a/tests/regression_tests/cmfd_feed_2g/results_true.dat b/tests/regression_tests/cmfd_feed_2g/results_true.dat
index d27e291e7..2b61d9f4e 100644
--- a/tests/regression_tests/cmfd_feed_2g/results_true.dat
+++ b/tests/regression_tests/cmfd_feed_2g/results_true.dat
@@ -1,112 +1,112 @@
 k-combined:
-1.021592E+00 7.184545E-03
+1.035567E+00 9.463160E-03
 tally 1:
-1.158654E+02
-1.342707E+03
-1.151877E+02
-1.327269E+03
-1.153781E+02
-1.331661E+03
-1.151151E+02
-1.325578E+03
+1.146535E+02
+1.315267E+03
+1.157458E+02
+1.340166E+03
+1.140491E+02
+1.301364E+03
+1.146589E+02
+1.315433E+03
 tally 2:
-4.299142E+01
-9.258204E+01
-6.324043E+01
-2.003732E+02
-1.860419E+02
-1.731270E+03
-1.037502E+02
-5.383979E+02
-4.229132E+01
-8.952923E+01
-6.264581E+01
-1.965074E+02
-1.838340E+02
-1.690620E+03
-1.029415E+02
-5.299801E+02
-4.314759E+01
-9.337463E+01
-6.404361E+01
-2.056541E+02
-1.836548E+02
-1.687065E+03
-1.028141E+02
-5.287334E+02
-4.256836E+01
-9.079806E+01
-6.336524E+01
-2.012627E+02
-1.837730E+02
-1.689124E+03
-1.021852E+02
-5.222598E+02
+4.319968E+01
+9.360083E+01
+6.373035E+01
+2.038056E+02
+1.889646E+02
+1.812892E+03
+1.024866E+02
+5.254528E+02
+4.323262E+01
+9.360200E+01
+6.363111E+01
+2.028178E+02
+1.849746E+02
+1.711533E+03
+1.034532E+02
+5.352768E+02
+4.296541E+01
+9.249656E+01
+6.346919E+01
+2.018659E+02
+1.888697E+02
+1.812037E+03
+1.025707E+02
+5.262261E+02
+4.691085E+01
+1.269707E+02
+6.299377E+01
+1.990497E+02
+1.853864E+02
+1.719984E+03
+1.023015E+02
+5.235858E+02
 tally 3:
-5.973628E+01
-1.787876E+02
+6.034963E+01
+1.827718E+02
 0.000000E+00
 0.000000E+00
-1.724004E-02
-2.766372E-05
-4.379655E+00
-9.682433E-01
-3.484795E+00
-6.104792E-01
+1.865665E-02
+4.244195E-05
+4.170941E+00
+8.769372E-01
+3.453368E+00
+5.989168E-01
 0.000000E+00
 0.000000E+00
-9.874445E+01
-4.877157E+02
-8.886034E-01
-4.009294E-02
-5.923584E+01
-1.757014E+02
+9.743205E+01
+4.749420E+02
+8.570316E-01
+3.807993E-02
+6.005903E+01
+1.807233E+02
 0.000000E+00
 0.000000E+00
-1.733168E-02
-3.950365E-05
-4.212697E+00
-8.996477E-01
-3.503046E+00
-6.150657E-01
+1.885450E-02
+3.653402E-05
+4.323863E+00
+9.447512E-01
+3.465465E+00
+6.022861E-01
 0.000000E+00
 0.000000E+00
-9.780995E+01
-4.784706E+02
-8.648283E-01
-3.899383E-02
-6.057017E+01
-1.839745E+02
+9.843481E+01
+4.846158E+02
+9.048150E-01
+4.205551E-02
+5.996660E+01
+1.802150E+02
 0.000000E+00
 0.000000E+00
-2.056597E-02
-3.726744E-05
-4.280120E+00
-9.288225E-01
-3.378205E+00
-5.730279E-01
+1.221444E-02
+2.263445E-05
+4.301287E+00
+9.309882E-01
+3.456076E+00
+5.992144E-01
 0.000000E+00
 0.000000E+00
-9.790474E+01
-4.794523E+02
-9.073765E-01
-4.204720E-02
-5.990874E+01
-1.799224E+02
+9.761231E+01
+4.765834E+02
+8.434644E-01
+3.728180E-02
+5.961891E+01
+1.783106E+02
 0.000000E+00
 0.000000E+00
-1.881508E-02
-4.239902E-05
-4.206916E+00
-8.926965E-01
-3.478009E+00
-6.067461E-01
+1.500709E-02
+3.541280E-05
+4.155669E+00
+8.713442E-01
+3.455342E+00
+6.006426E-01
 0.000000E+00
 0.000000E+00
-9.715787E+01
-4.721453E+02
-8.602457E-01
-3.786346E-02
+9.726798E+01
+4.733393E+02
+9.202611E-01
+4.390503E-02
 tally 4:
 0.000000E+00
 0.000000E+00
@@ -116,14 +116,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-8.735001E+00
-3.821211E+00
-3.708124E+01
-6.880811E+01
-8.713175E+00
-3.807176E+00
-3.703536E+01
-6.862245E+01
+8.943264E+00
+4.008855E+00
+3.661063E+01
+6.704808E+01
+8.945553E+00
+4.011707E+00
+3.696832E+01
+6.835286E+01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -132,14 +132,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-8.851322E+00
-3.930766E+00
-3.716154E+01
-6.908449E+01
-8.892499E+00
-3.970458E+00
-3.718644E+01
-6.918810E+01
+8.844569E+00
+3.924591E+00
+3.666726E+01
+6.726522E+01
+8.769637E+00
+3.855006E+00
+3.654115E+01
+6.680777E+01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -156,14 +156,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-8.713175E+00
-3.807176E+00
-3.703536E+01
-6.862245E+01
-8.735001E+00
-3.821211E+00
-3.708124E+01
-6.880811E+01
+8.945553E+00
+4.011707E+00
+3.696832E+01
+6.835286E+01
+8.943264E+00
+4.008855E+00
+3.661063E+01
+6.704808E+01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -180,14 +180,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-8.915310E+00
-3.982710E+00
-3.682783E+01
-6.786998E+01
-8.800405E+00
-3.881868E+00
-3.692302E+01
-6.819716E+01
+8.648474E+00
+3.752219E+00
+3.689442E+01
+6.808997E+01
+8.757378E+00
+3.850408E+00
+3.716920E+01
+6.909715E+01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -212,22 +212,22 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-8.659918E+00
-3.761908E+00
-3.709957E+01
-6.884298E+01
-8.796329E+00
-3.881588E+00
-3.693599E+01
-6.825932E+01
-8.892499E+00
-3.970458E+00
-3.718644E+01
-6.918810E+01
-8.851322E+00
-3.930766E+00
-3.716154E+01
-6.908449E+01
+8.783669E+00
+3.870748E+00
+3.687358E+01
+6.802581E+01
+8.755250E+00
+3.846298E+00
+3.660278E+01
+6.704349E+01
+8.769637E+00
+3.855006E+00
+3.654115E+01
+6.680777E+01
+8.844569E+00
+3.924591E+00
+3.666726E+01
+6.726522E+01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -252,14 +252,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-8.796329E+00
-3.881588E+00
-3.693599E+01
-6.825932E+01
-8.659918E+00
-3.761908E+00
-3.709957E+01
-6.884298E+01
+8.755250E+00
+3.846298E+00
+3.660278E+01
+6.704349E+01
+8.783669E+00
+3.870748E+00
+3.687358E+01
+6.802581E+01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -268,14 +268,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-8.800405E+00
-3.881868E+00
-3.692302E+01
-6.819716E+01
-8.915310E+00
-3.982710E+00
-3.682783E+01
-6.786998E+01
+8.757378E+00
+3.850408E+00
+3.716920E+01
+6.909715E+01
+8.648474E+00
+3.752219E+00
+3.689442E+01
+6.808997E+01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -301,133 +301,133 @@ tally 4:
 0.000000E+00
 0.000000E+00
 tally 5:
-5.975352E+01
-1.788900E+02
-1.022213E+02
-5.226556E+02
-1.378440E+01
-9.544964E+00
-4.668065E+01
-1.090372E+02
-5.925317E+01
-1.758044E+02
-1.013043E+02
-5.132587E+02
-1.356187E+01
-9.210736E+00
-4.606346E+01
-1.061497E+02
-6.059074E+01
-1.840993E+02
-1.012721E+02
-5.130091E+02
-1.356441E+01
-9.262377E+00
-4.634250E+01
-1.074283E+02
-5.992755E+01
-1.800342E+02
-1.006299E+02
-5.065012E+02
-1.370402E+01
-9.450980E+00
-4.575433E+01
-1.047310E+02
+6.036829E+01
+1.828885E+02
+1.008777E+02
+5.091033E+02
+1.353211E+01
+9.188155E+00
+4.618716E+01
+1.067410E+02
+6.007789E+01
+1.808371E+02
+1.018892E+02
+5.192269E+02
+1.357961E+01
+9.247052E+00
+4.618560E+01
+1.067058E+02
+5.997882E+01
+1.802895E+02
+1.010597E+02
+5.108478E+02
+1.374955E+01
+9.502494E+00
+4.619500E+01
+1.067547E+02
+5.963392E+01
+1.783999E+02
+1.007134E+02
+5.074700E+02
+1.319398E+01
+8.734106E+00
+4.586295E+01
+1.052870E+02
 cmfd indices
 2.000000E+00
 2.000000E+00
 1.000000E+00
 2.000000E+00
 k cmfd
-1.037231E+00
-1.035671E+00
-1.042384E+00
-1.033525E+00
-1.031304E+00
-1.029654E+00
-1.031704E+00
-1.032213E+00
-1.030500E+00
-1.036227E+00
-1.034924E+00
-1.035753E+00
-1.034679E+00
-1.035096E+00
-1.033818E+00
-1.030023E+00
+1.018115E+00
+1.022665E+00
+1.020323E+00
+1.020653E+00
+1.021036E+00
+1.020623E+00
+1.021482E+00
+1.025450E+00
+1.027292E+00
+1.028065E+00
+1.027065E+00
+1.024275E+00
+1.025309E+00
+1.026039E+00
+1.026700E+00
+1.023865E+00
 cmfd entropy
-1.999702E+00
-1.999790E+00
-1.999713E+00
-1.999852E+00
-1.999820E+00
-1.999667E+00
-1.999553E+00
-1.999649E+00
-1.999398E+00
-1.999527E+00
-1.999648E+00
-1.999607E+00
+1.998965E+00
+1.999214E+00
+1.999348E+00
+1.999366E+00
+1.999564E+00
+1.999453E+00
 1.999533E+00
-1.999684E+00
-1.999714E+00
-1.999812E+00
+1.999630E+00
+1.999739E+00
+1.999588E+00
+1.999581E+00
+1.999719E+00
+1.999773E+00
+1.999764E+00
+1.999821E+00
+1.999843E+00
 cmfd balance
-7.33587E-04
-1.00987E-03
-8.26985E-04
-5.20809E-04
-6.47932E-04
-9.69990E-04
-8.62860E-04
-4.92175E-04
-5.80764E-04
-4.49167E-04
-4.05541E-04
-4.13811E-04
-4.27271E-04
-3.64944E-04
-3.43522E-04
-2.82842E-04
+5.73174E-04
+7.55398E-04
+1.46671E-03
+6.39625E-04
+8.19008E-04
+1.93449E-03
+1.15900E-03
+1.01690E-03
+5.62788E-04
+6.90450E-04
+6.01060E-04
+5.73418E-04
+4.37190E-04
+4.82966E-04
+4.09700E-04
+3.45096E-04
 cmfd dominance ratio
-6.259E-03
-6.252E-03
-6.292E-03
-6.347E-03
-6.360E-03
-6.403E-03
-6.375E-03
-6.400E-03
-6.374E-03
-6.343E-03
-6.331E-03
-6.312E-03
-6.305E-03
-6.271E-03
-6.267E-03
-6.265E-03
+6.264E-03
+6.142E-03
+5.987E-03
+6.082E-03
+5.895E-03
+5.939E-03
+5.910E-03
+5.948E-03
+6.013E-03
+6.017E-03
+6.024E-03
+6.008E-03
+5.976E-03
+5.987E-03
+5.967E-03
+5.929E-03
 cmfd openmc source comparison
-7.908947E-05
-7.452591E-05
-9.249409E-05
-8.223037E-05
-7.355125E-05
-8.926808E-05
-9.363510E-05
-7.628519E-05
-9.019193E-05
-7.130550E-05
-5.947633E-05
-5.744157E-05
-6.093797E-05
-4.505304E-05
-4.430670E-05
-3.019083E-05
+4.832872E-05
+6.552342E-05
+7.516800E-05
+7.916087E-05
+9.022260E-05
+8.574478E-05
+7.891622E-05
+7.281636E-05
+7.750571E-05
+6.565408E-05
+6.078665E-05
+5.834343E-05
+4.758176E-05
+5.723990E-05
+4.994116E-05
+4.116808E-05
 cmfd source
-2.557606E-01
-2.464707E-01
-2.518098E-01
-2.459589E-01
+2.455663E-01
+2.553511E-01
+2.512257E-01
+2.478570E-01
 0.000000E+00
 0.000000E+00
 0.000000E+00
diff --git a/tests/regression_tests/cmfd_feed_expanding_window/results_true.dat b/tests/regression_tests/cmfd_feed_expanding_window/results_true.dat
index a235a9f6f..8fd8cdbb8 100644
--- a/tests/regression_tests/cmfd_feed_expanding_window/results_true.dat
+++ b/tests/regression_tests/cmfd_feed_expanding_window/results_true.dat
@@ -1,117 +1,117 @@
 k-combined:
-1.184725E+00 9.808181E-03
+1.167865E+00 7.492213E-03
 tally 1:
-1.121111E+01
-1.261033E+01
-2.101271E+01
-4.433294E+01
-2.782926E+01
-7.776546E+01
-3.351044E+01
-1.125084E+02
-3.625691E+01
-1.319666E+02
-3.741881E+01
-1.403776E+02
-3.538049E+01
-1.255798E+02
-3.030311E+01
-9.228152E+01
-2.188389E+01
-4.811272E+01
-1.172417E+01
-1.379179E+01
+1.146860E+01
+1.318884E+01
+2.161527E+01
+4.685283E+01
+2.951158E+01
+8.733566E+01
+3.521610E+01
+1.242821E+02
+3.774236E+01
+1.426501E+02
+3.727918E+01
+1.391158E+02
+3.377176E+01
+1.143839E+02
+2.904497E+01
+8.452907E+01
+2.090871E+01
+4.384549E+01
+1.078642E+01
+1.168086E+01
 tally 2:
-1.146940E+00
-1.315471E+00
-8.068187E-01
-6.509564E-01
-2.070090E+00
-4.285274E+00
-1.469029E+00
-2.158045E+00
-2.703224E+00
-7.307421E+00
-1.895589E+00
-3.593259E+00
-3.567634E+00
-1.272801E+01
-2.541493E+00
-6.459185E+00
-3.937463E+00
-1.550361E+01
-2.770463E+00
-7.675465E+00
-3.960472E+00
-1.568534E+01
-2.792668E+00
-7.798997E+00
-3.243459E+00
-1.052002E+01
-2.296673E+00
-5.274706E+00
-2.794726E+00
-7.810492E+00
-1.953143E+00
-3.814769E+00
-2.187302E+00
-4.784292E+00
-1.544500E+00
-2.385481E+00
-1.199609E+00
-1.439061E+00
-8.356062E-01
-6.982377E-01
+1.136810E+00
+1.292338E+00
+7.987303E-01
+6.379700E-01
+2.266938E+00
+5.139009E+00
+1.613483E+00
+2.603328E+00
+3.046349E+00
+9.280239E+00
+2.182459E+00
+4.763126E+00
+3.568068E+00
+1.273111E+01
+2.532456E+00
+6.413333E+00
+3.989504E+00
+1.591614E+01
+2.848301E+00
+8.112818E+00
+3.853133E+00
+1.484663E+01
+2.718493E+00
+7.390202E+00
+3.478138E+00
+1.209745E+01
+2.467281E+00
+6.087476E+00
+2.952220E+00
+8.715605E+00
+2.103261E+00
+4.423706E+00
+1.917459E+00
+3.676649E+00
+1.378369E+00
+1.899902E+00
+1.048240E+00
+1.098807E+00
+7.511947E-01
+5.642934E-01
 tally 3:
-7.817522E-01
-6.111366E-01
-5.930056E-02
-3.516556E-03
-1.426374E+00
-2.034542E+00
-8.539281E-02
-7.291931E-03
-1.815687E+00
-3.296718E+00
-1.221592E-01
-1.492286E-02
-2.447191E+00
-5.988744E+00
-1.624835E-01
-2.640090E-02
-2.670084E+00
-7.129351E+00
-1.838317E-01
-3.379411E-02
-2.683007E+00
-7.198528E+00
-1.719716E-01
-2.957424E-02
-2.215446E+00
-4.908202E+00
-1.707856E-01
-2.916773E-02
-1.872330E+00
-3.505620E+00
-1.209731E-01
-1.463450E-02
-1.484167E+00
-2.202752E+00
-1.114851E-01
-1.242892E-02
-8.018653E-01
-6.429879E-01
-5.692854E-02
-3.240858E-03
+7.701233E-01
+5.930898E-01
+4.481585E-02
+2.008461E-03
+1.547307E+00
+2.394158E+00
+1.226539E-01
+1.504398E-02
+2.106373E+00
+4.436806E+00
+1.450618E-01
+2.104294E-02
+2.437654E+00
+5.942157E+00
+1.521380E-01
+2.314598E-02
+2.754639E+00
+7.588038E+00
+1.745460E-01
+3.046629E-02
+2.623852E+00
+6.884601E+00
+1.851602E-01
+3.428432E-02
+2.376886E+00
+5.649588E+00
+1.615729E-01
+2.610582E-02
+2.021856E+00
+4.087900E+00
+1.533174E-01
+2.350622E-02
+1.333190E+00
+1.777397E+00
+7.076188E-02
+5.007243E-03
+7.258527E-01
+5.268622E-01
+3.656030E-02
+1.336656E-03
 tally 4:
-1.404203E-01
-1.971786E-02
+1.667432E-01
+2.780328E-02
 0.000000E+00
 0.000000E+00
-1.383954E-01
-1.915329E-02
-2.626162E-01
-6.896729E-02
+1.292567E-01
+1.670730E-02
+2.813370E-01
+7.915052E-02
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -128,14 +128,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-2.626162E-01
-6.896729E-02
-1.383954E-01
-1.915329E-02
-2.300607E-01
-5.292793E-02
-3.213893E-01
-1.032911E-01
+2.813370E-01
+7.915052E-02
+1.292567E-01
+1.670730E-02
+2.670549E-01
+7.131835E-02
+4.055324E-01
+1.644566E-01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -152,14 +152,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-3.213893E-01
-1.032911E-01
-2.300607E-01
-5.292793E-02
-3.621797E-01
-1.311741E-01
-4.326081E-01
-1.871498E-01
+4.055324E-01
+1.644566E-01
+2.670549E-01
+7.131835E-02
+3.848125E-01
+1.480807E-01
+4.809430E-01
+2.313062E-01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -176,14 +176,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-4.326081E-01
-1.871498E-01
-3.621797E-01
-1.311741E-01
-4.274873E-01
-1.827454E-01
-4.701391E-01
-2.210307E-01
+4.809430E-01
+2.313062E-01
+3.848125E-01
+1.480807E-01
+4.543918E-01
+2.064719E-01
+5.106133E-01
+2.607260E-01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -200,14 +200,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-4.701391E-01
-2.210307E-01
-4.274873E-01
-1.827454E-01
-4.867763E-01
-2.369512E-01
-5.027339E-01
-2.527413E-01
+5.106133E-01
+2.607260E-01
+4.543918E-01
+2.064719E-01
+4.543120E-01
+2.063994E-01
+4.626328E-01
+2.140291E-01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -224,14 +224,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-5.027339E-01
-2.527413E-01
-4.867763E-01
-2.369512E-01
-4.679231E-01
-2.189520E-01
-4.504626E-01
-2.029166E-01
+4.626328E-01
+2.140291E-01
+4.543120E-01
+2.063994E-01
+4.827759E-01
+2.330726E-01
+4.442622E-01
+1.973689E-01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -248,14 +248,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-4.504626E-01
-2.029166E-01
-4.679231E-01
-2.189520E-01
-4.340994E-01
-1.884423E-01
-3.622741E-01
-1.312425E-01
+4.442622E-01
+1.973689E-01
+4.827759E-01
+2.330726E-01
+4.630420E-01
+2.144079E-01
+3.886524E-01
+1.510507E-01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -272,14 +272,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-3.622741E-01
-1.312425E-01
-4.340994E-01
-1.884423E-01
-3.743415E-01
-1.401316E-01
-2.666952E-01
-7.112632E-02
+3.886524E-01
+1.510507E-01
+4.630420E-01
+2.144079E-01
+3.535870E-01
+1.250237E-01
+2.530312E-01
+6.402478E-02
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -296,14 +296,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-2.666952E-01
-7.112632E-02
-3.743415E-01
-1.401316E-01
-2.832774E-01
-8.024609E-02
-1.469617E-01
-2.159775E-02
+2.530312E-01
+6.402478E-02
+3.535870E-01
+1.250237E-01
+2.465524E-01
+6.078808E-02
+1.197152E-01
+1.433173E-02
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -320,12 +320,12 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-1.469617E-01
-2.159775E-02
-2.832774E-01
-8.024609E-02
-1.514998E-01
-2.295220E-02
+1.197152E-01
+1.433173E-02
+2.465524E-01
+6.078808E-02
+1.369631E-01
+1.875888E-02
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -345,119 +345,119 @@ tally 4:
 0.000000E+00
 0.000000E+00
 tally 5:
-7.817522E-01
-6.111366E-01
-1.254009E-01
-1.572539E-02
-1.426374E+00
-2.034542E+00
-2.208879E-01
-4.879148E-02
-1.815687E+00
-3.296718E+00
-2.598747E-01
-6.753484E-02
-2.446236E+00
-5.984069E+00
-3.067269E-01
-9.408137E-02
-2.670084E+00
-7.129351E+00
-3.358701E-01
-1.128087E-01
-2.682078E+00
-7.193544E+00
-3.021763E-01
-9.131050E-02
-2.215446E+00
-4.908202E+00
-3.092066E-01
-9.560869E-02
-1.871260E+00
-3.501614E+00
-2.400592E-01
-5.762841E-02
-1.483097E+00
-2.199577E+00
-2.197780E-01
-4.830237E-02
-8.009060E-01
-6.414504E-01
-1.023121E-01
-1.046776E-02
+7.701233E-01
+5.930898E-01
+1.386250E-01
+1.921688E-02
+1.547307E+00
+2.394158E+00
+2.630277E-01
+6.918357E-02
+2.106373E+00
+4.436806E+00
+2.807880E-01
+7.884187E-02
+2.435849E+00
+5.933361E+00
+3.322060E-01
+1.103608E-01
+2.753634E+00
+7.582501E+00
+3.825922E-01
+1.463768E-01
+2.623852E+00
+6.884601E+00
+3.888710E-01
+1.512206E-01
+2.376886E+00
+5.649588E+00
+3.196217E-01
+1.021581E-01
+2.021856E+00
+4.087900E+00
+2.897881E-01
+8.397715E-02
+1.333190E+00
+1.777397E+00
+1.627110E-01
+2.647486E-02
+7.258527E-01
+5.268622E-01
+9.348666E-02
+8.739755E-03
 cmfd indices
 1.000000E+01
 1.000000E+00
 1.000000E+00
 1.000000E+00
 k cmfd
-1.165553E+00
-1.179705E+00
-1.191818E+00
-1.207372E+00
-1.203745E+00
-1.208055E+00
-1.208191E+00
-1.201797E+00
-1.201945E+00
-1.203753E+00
-1.209025E+00
+1.149077E+00
+1.156751E+00
+1.158648E+00
+1.159506E+00
+1.156567E+00
+1.160259E+00
+1.150345E+00
+1.149846E+00
+1.151606E+00
+1.164544E+00
+1.174648E+00
 cmfd entropy
-3.217557E+00
-3.209881E+00
-3.204672E+00
-3.212484E+00
-3.217253E+00
-3.216845E+00
-3.219057E+00
-3.217057E+00
-3.223643E+00
-3.230985E+00
-3.230377E+00
+3.216173E+00
+3.228717E+00
+3.220402E+00
+3.214352E+00
+3.215636E+00
+3.213599E+00
+3.212854E+00
+3.213131E+00
+3.213196E+00
+3.205474E+00
+3.202869E+00
 cmfd balance
-1.65304E-03
-2.29940E-03
-1.63416E-03
-1.39975E-03
-1.91312E-03
-1.62824E-03
-1.95516E-03
-2.02934E-03
-1.92846E-03
-2.33117E-03
-2.29845E-03
+3.08825E-03
+1.42345E-03
+1.21253E-03
+1.17694E-03
+1.05901E-03
+9.29611E-04
+1.35587E-03
+1.13579E-03
+1.14964E-03
+1.29313E-03
+1.46566E-03
 cmfd dominance ratio
-5.465E-01
-5.481E-01
-5.432E-01
-5.459E-01
-5.463E-01
-5.486E-01
-5.515E-01
-5.493E-01
-5.511E-01
-5.518E-01
-5.499E-01
+5.524E-01
+5.614E-01
+5.522E-01
+5.487E-01
+5.482E-01
+5.446E-01
+5.437E-01
+5.429E-01
+5.407E-01
+5.380E-01
+5.377E-01
 cmfd openmc source comparison
-6.499546E-03
-3.419761E-03
-4.342514E-03
-7.229618E-03
-9.943057E-03
-1.050086E-02
-1.055060E-02
-6.562146E-03
-7.232860E-03
-4.424331E-03
-2.531323E-03
+1.586045E-02
+6.953134E-03
+6.860419E-03
+6.198467E-03
+5.142854E-03
+4.373354E-03
+5.564831E-03
+4.184765E-03
+1.867780E-03
+2.734784E-03
+2.523985E-03
 cmfd source
-4.224785E-02
-7.504165E-02
-1.009909E-01
-1.238160E-01
-1.301409E-01
-1.425954E-01
-1.353275E-01
-1.134617E-01
-8.830470E-02
-4.807346E-02
+4.241440E-02
+8.226026E-02
+1.180811E-01
+1.328433E-01
+1.412410E-01
+1.424902E-01
+1.269340E-01
+1.096490E-01
+6.953251E-02
+3.455422E-02
diff --git a/tests/regression_tests/cmfd_feed_ng/results_true.dat b/tests/regression_tests/cmfd_feed_ng/results_true.dat
index 722cb16c8..153238bfe 100644
--- a/tests/regression_tests/cmfd_feed_ng/results_true.dat
+++ b/tests/regression_tests/cmfd_feed_ng/results_true.dat
@@ -1,208 +1,208 @@
 k-combined:
-1.027584E+00 1.502267E-02
+1.005987E+00 1.354263E-02
 tally 1:
-1.148263E+02
-1.318910E+03
-1.144863E+02
-1.311468E+03
-1.163124E+02
-1.353643E+03
-1.149445E+02
-1.321759E+03
+1.140273E+02
+1.301245E+03
+1.147962E+02
+1.319049E+03
+1.151426E+02
+1.326442E+03
+1.149265E+02
+1.321518E+03
 tally 2:
-3.397796E+01
-7.265736E+01
-5.019405E+01
-1.585764E+02
-1.053191E+01
-6.978659E+00
-8.739144E+00
-4.800811E+00
-1.368395E+02
-1.172003E+03
-7.370695E+01
-3.398875E+02
-3.374845E+01
-7.161454E+01
-5.011266E+01
-1.580982E+02
-1.014814E+01
-6.486800E+00
-8.590537E+00
-4.639730E+00
-1.379236E+02
-1.198395E+03
-7.277377E+01
-3.313373E+02
-3.554441E+01
-7.913690E+01
-5.224651E+01
-1.709692E+02
-1.050466E+01
-6.961148E+00
-8.866162E+00
-4.951519E+00
-1.388541E+02
-1.206000E+03
-7.399637E+01
-3.423642E+02
-3.479281E+01
-7.602778E+01
-5.139230E+01
-1.659298E+02
-1.026632E+01
-6.621042E+00
-8.649433E+00
-4.697954E+00
-1.402563E+02
-1.235504E+03
-7.374718E+01
-3.400080E+02
+3.462748E+01
+7.542476E+01
+5.129219E+01
+1.658142E+02
+1.034704E+01
+6.730603E+00
+8.672967E+00
+4.715295E+00
+1.344669E+02
+1.132019E+03
+7.262519E+01
+3.300787E+02
+3.447358E+01
+7.459545E+01
+5.075836E+01
+1.619570E+02
+1.080516E+01
+7.366369E+00
+8.908065E+00
+4.991975E+00
+1.354224E+02
+1.146824E+03
+7.300078E+01
+3.332531E+02
+3.432298E+01
+7.388666E+01
+5.096378E+01
+1.627979E+02
+1.053664E+01
+7.029789E+00
+8.826624E+00
+4.904429E+00
+1.388389E+02
+1.207280E+03
+7.376623E+01
+3.403211E+02
+4.383841E+01
+1.943331E+02
+5.165881E+01
+1.675923E+02
+1.059646E+01
+7.048052E+00
+8.763673E+00
+4.823505E+00
+1.378179E+02
+1.188104E+03
+7.431708E+01
+3.453746E+02
 tally 3:
-4.748159E+01
-1.419494E+02
+4.858880E+01
+1.488705E+02
 0.000000E+00
 0.000000E+00
-8.132630E-03
-1.326503E-05
+8.148667E-03
+1.337050E-05
 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-3.299481E+00
-6.900644E-01
-2.429296E+00
-3.713869E-01
+3.347376E+00
+7.045574E-01
+2.433484E+00
+3.727266E-01
 0.000000E+00
 0.000000E+00
-6.175576E+00
-2.403118E+00
+6.095478E+00
+2.332622E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-7.020357E-02
-6.481773E-04
-3.097931E-01
-6.853044E-03
+1.235421E-01
+1.205155E-03
+3.647699E-01
+8.953589E-03
 0.000000E+00
 0.000000E+00
-2.592969E+00
-4.215508E-01
+2.673965E+00
+4.517972E-01
 0.000000E+00
 0.000000E+00
-6.972257E+01
-3.041404E+02
-5.792796E-01
-2.191871E-02
-4.745221E+01
-1.418371E+02
+6.841105E+01
+2.929195E+02
+5.902473E-01
+2.307683E-02
+4.792291E+01
+1.444397E+02
 0.000000E+00
 0.000000E+00
-1.507569E-02
-3.140047E-05
+2.183275E-02
+8.061011E-05
 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-3.307769E+00
-6.924370E-01
-2.473164E+00
-3.840166E-01
+3.435826E+00
+7.480244E-01
+2.450829E+00
+3.800327E-01
 0.000000E+00
 0.000000E+00
-5.967063E+00
-2.251947E+00
+6.331358E+00
+2.530492E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-9.143833E-02
-8.020544E-04
+1.012941E-01
+8.217580E-04
+2.981274E-01
+5.863186E-03
+0.000000E+00
+0.000000E+00
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+0.000000E+00
+0.000000E+00
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+2.987684E+02
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+2.386115E-02
+4.822881E+01
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+0.000000E+00
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+1.525590E-02
+3.794082E-05
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+3.314494E+00
+6.944527E-01
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+3.691360E-01
+0.000000E+00
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+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+1.112542E-01
+1.051688E-03
 3.234880E-01
-7.219562E-03
+7.156753E-03
 0.000000E+00
 0.000000E+00
-2.477436E+00
-3.882619E-01
+2.474142E+00
+3.837496E-01
 0.000000E+00
 0.000000E+00
-6.888326E+01
-2.968630E+02
-5.925099E-01
-2.344632E-02
-4.946736E+01
-1.533087E+02
+6.987095E+01
+3.053358E+02
+5.928782E-01
+2.368116E-02
+4.885415E+01
+1.499856E+02
 0.000000E+00
 0.000000E+00
-1.369119E-02
-3.099298E-05
+1.262416E-02
+2.486286E-05
 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-3.513467E+00
-7.852189E-01
-2.483110E+00
-3.901527E-01
+3.426826E+00
+7.480396E-01
+2.487209E+00
+3.903882E-01
 0.000000E+00
 0.000000E+00
-6.238898E+00
-2.455700E+00
+6.127303E+00
+2.364605E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-9.032973E-02
-6.677512E-04
-2.816159E-01
-5.349737E-03
+9.439007E-02
+1.082564E-03
+2.963491E-01
+5.652952E-03
 0.000000E+00
 0.000000E+00
-2.620828E+00
-4.350795E-01
+2.620696E+00
+4.311792E-01
 0.000000E+00
 0.000000E+00
-6.992910E+01
-3.057653E+02
-5.890670E-01
-2.307978E-02
-4.853121E+01
-1.480132E+02
-0.000000E+00
-0.000000E+00
-1.719291E-02
-4.141727E-05
-0.000000E+00
-0.000000E+00
-0.000000E+00
-0.000000E+00
-3.490129E+00
-7.743548E-01
-2.381968E+00
-3.564896E-01
-0.000000E+00
-0.000000E+00
-6.151693E+00
-2.382656E+00
-0.000000E+00
-0.000000E+00
-0.000000E+00
-0.000000E+00
-8.653178E-02
-5.524601E-04
-3.307211E-01
-7.362512E-03
-0.000000E+00
-0.000000E+00
-2.566722E+00
-4.136929E-01
-0.000000E+00
-0.000000E+00
-6.968935E+01
-3.036323E+02
-6.295592E-01
-2.609911E-02
+7.030725E+01
+3.091241E+02
+5.986966E-01
+2.352487E-02
 tally 4:
 0.000000E+00
 0.000000E+00
@@ -216,18 +216,18 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-6.910417E+00
-3.013908E+00
-2.099086E+00
-2.794191E-01
-2.725309E+01
-4.645663E+01
-7.076086E+00
-3.154776E+00
-2.051075E+00
-2.671542E-01
-2.737348E+01
-4.686718E+01
+7.028624E+00
+3.105990E+00
+2.154648E+00
+2.948865E-01
+2.714077E+01
+4.607926E+01
+7.035506E+00
+3.118549E+00
+2.085916E+00
+2.730884E-01
+2.750091E+01
+4.731304E+01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -240,18 +240,18 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-7.215131E+00
-3.265328E+00
-2.066108E+00
-2.704238E-01
-2.755564E+01
-4.753705E+01
-7.022836E+00
-3.102535E+00
-2.076586E+00
-2.741254E-01
-2.756981E+01
-4.756632E+01
+7.170567E+00
+3.240715E+00
+2.131758E+00
+2.862355E-01
+2.747702E+01
+4.722977E+01
+7.068817E+00
+3.139275E+00
+2.095865E+00
+2.762179E-01
+2.737835E+01
+4.688689E+01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -276,18 +276,18 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-7.076086E+00
-3.154776E+00
-2.051075E+00
-2.671542E-01
-2.737348E+01
-4.686718E+01
-6.910417E+00
-3.013908E+00
-2.099086E+00
-2.794191E-01
-2.725309E+01
-4.645663E+01
+7.035506E+00
+3.118549E+00
+2.085916E+00
+2.730884E-01
+2.750091E+01
+4.731304E+01
+7.028624E+00
+3.105990E+00
+2.154648E+00
+2.948865E-01
+2.714077E+01
+4.607926E+01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -312,18 +312,18 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-7.008937E+00
-3.087084E+00
-2.040640E+00
-2.622272E-01
-2.705295E+01
-4.578207E+01
-7.038404E+00
-3.111878E+00
-2.123591E+00
-2.840551E-01
-2.708214E+01
-4.588834E+01
+7.103896E+00
+3.171147E+00
+2.095666E+00
+2.756673E-01
+2.711842E+01
+4.600196E+01
+7.197270E+00
+3.255501E+00
+2.046179E+00
+2.630301E-01
+2.729901E+01
+4.662030E+01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -360,30 +360,30 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-7.286308E+00
-3.346248E+00
-2.108252E+00
-2.794781E-01
-2.738387E+01
-4.689407E+01
-7.108444E+00
-3.172810E+00
-2.111474E+00
-2.804633E-01
-2.737249E+01
-4.687424E+01
-7.022836E+00
-3.102535E+00
-2.076586E+00
-2.741254E-01
-2.756981E+01
-4.756632E+01
-7.215131E+00
-3.265328E+00
-2.066108E+00
-2.704238E-01
-2.755564E+01
-4.753705E+01
+7.240906E+00
+3.296285E+00
+2.130816E+00
+2.850713E-01
+2.761433E+01
+4.771548E+01
+7.126427E+00
+3.199209E+00
+2.177254E+00
+2.998765E-01
+2.754936E+01
+4.748447E+01
+7.068817E+00
+3.139275E+00
+2.095865E+00
+2.762179E-01
+2.737835E+01
+4.688689E+01
+7.170567E+00
+3.240715E+00
+2.131758E+00
+2.862355E-01
+2.747702E+01
+4.722977E+01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -420,18 +420,18 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-7.108444E+00
-3.172810E+00
-2.111474E+00
-2.804633E-01
-2.737249E+01
-4.687424E+01
-7.286308E+00
-3.346248E+00
-2.108252E+00
-2.794781E-01
-2.738387E+01
-4.689407E+01
+7.126427E+00
+3.199209E+00
+2.177254E+00
+2.998765E-01
+2.754936E+01
+4.748447E+01
+7.240906E+00
+3.296285E+00
+2.130816E+00
+2.850713E-01
+2.761433E+01
+4.771548E+01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -444,18 +444,18 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-7.038404E+00
-3.111878E+00
-2.123591E+00
-2.840551E-01
-2.708214E+01
-4.588834E+01
-7.008937E+00
-3.087084E+00
-2.040640E+00
-2.622272E-01
-2.705295E+01
-4.578207E+01
+7.197270E+00
+3.255501E+00
+2.046179E+00
+2.630301E-01
+2.729901E+01
+4.662030E+01
+7.103896E+00
+3.171147E+00
+2.095666E+00
+2.756673E-01
+2.711842E+01
+4.600196E+01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -493,124 +493,124 @@ tally 4:
 0.000000E+00
 0.000000E+00
 tally 5:
-4.748972E+01
-1.419968E+02
-8.604872E+00
-4.655596E+00
-7.261430E+01
-3.298767E+02
-1.092092E+01
-7.540081E+00
-3.984923E+00
-1.000404E+00
-3.294804E+01
-6.794642E+01
-4.746728E+01
-1.419250E+02
-8.440227E+00
-4.478243E+00
-7.167598E+01
-3.214310E+02
-1.073385E+01
-7.257545E+00
-3.904158E+00
-9.587510E-01
-3.253492E+01
-6.626202E+01
-4.948105E+01
-1.533940E+02
-8.722008E+00
-4.791509E+00
-7.283154E+01
-3.316829E+02
-1.138387E+01
-8.162117E+00
-4.131397E+00
-1.078045E+00
-3.254336E+01
-6.624925E+01
-4.854840E+01
-1.481182E+02
-8.533661E+00
-4.573316E+00
-7.258180E+01
-3.293419E+02
-1.053673E+01
-7.002045E+00
-3.988151E+00
-1.001884E+00
-3.284213E+01
-6.749116E+01
+4.859695E+01
+1.489217E+02
+8.528963E+00
+4.561881E+00
+7.144500E+01
+3.194467E+02
+1.120265E+01
+7.944038E+00
+4.009821E+00
+1.012575E+00
+3.235456E+01
+6.558658E+01
+4.794474E+01
+1.445671E+02
+8.782187E+00
+4.852477E+00
+7.195036E+01
+3.237389E+02
+1.075572E+01
+7.333822E+00
+4.084680E+00
+1.054714E+00
+3.267154E+01
+6.675266E+01
+4.824407E+01
+1.459220E+02
+8.679106E+00
+4.742342E+00
+7.266858E+01
+3.302641E+02
+1.094872E+01
+7.536318E+00
+3.935828E+00
+9.749543E-01
+3.319517E+01
+6.894791E+01
+4.886677E+01
+1.500624E+02
+8.614512E+00
+4.662618E+00
+7.321408E+01
+3.352172E+02
+1.095123E+01
+7.574359E+00
+3.885927E+00
+9.539315E-01
+3.334065E+01
+6.953215E+01
 cmfd indices
 2.000000E+00
 2.000000E+00
 1.000000E+00
 3.000000E+00
 k cmfd
-1.026167E+00
-1.026753E+00
-1.034560E+00
-1.028298E+00
-1.029032E+00
-1.033531E+00
-1.034902E+00
-1.029837E+00
-1.025313E+00
-1.019855E+00
-1.021235E+00
+1.026473E+00
+1.024183E+00
+1.023151E+00
+1.025047E+00
+1.019801E+00
+1.020492E+00
+1.015249E+00
+1.016714E+00
+1.016047E+00
+1.019687E+00
+1.020955E+00
 cmfd entropy
-1.998818E+00
-1.998853E+00
-1.999048E+00
-1.998864E+00
-1.998999E+00
-1.998789E+00
-1.998670E+00
-1.998822E+00
-1.998782E+00
-1.999027E+00
-1.999420E+00
+1.999640E+00
+1.999556E+00
+1.999484E+00
+1.999718E+00
+1.999697E+00
+1.999657E+00
+1.999883E+00
+1.999902E+00
+1.999977E+00
+1.999977E+00
+1.999906E+00
 cmfd balance
-1.00064E-03
-6.95941E-04
-5.74967E-04
-4.34776E-04
-4.03288E-04
-4.32457E-04
-4.49075E-04
-3.57342E-04
-3.62891E-04
-2.86133E-04
-2.08678E-04
+8.10090E-04
+1.28103E-03
+7.97200E-04
+5.82188E-04
+7.20670E-04
+7.31475E-04
+5.71904E-04
+6.14057E-04
+6.00142E-04
+5.47870E-04
+3.53604E-04
 cmfd dominance ratio
-3.759E-03
-3.706E-03
-3.719E-03
-3.796E-03
-3.724E-03
-3.809E-03
-3.792E-03
-3.782E-03
-3.841E-03
+3.977E-03
+4.018E-03
+3.950E-03
 3.866E-03
-3.868E-03
+3.840E-03
+3.888E-03
+3.867E-03
+3.896E-03
+3.924E-03
+3.885E-03
+3.913E-03
 cmfd openmc source comparison
-8.283222E-05
-6.636005E-05
-5.320110E-05
-4.474530E-05
-4.409263E-05
-4.914331E-05
-4.834447E-05
-4.040592E-05
-4.173469E-05
-3.118350E-05
-1.667967E-05
+4.787501E-05
+4.450525E-05
+2.532345E-05
+3.844307E-05
+4.821504E-05
+4.840760E-05
+3.739246E-05
+3.957960E-05
+4.521480E-05
+4.072007E-05
+2.532636E-05
 cmfd source
-2.416781E-01
-2.442811E-01
-2.566121E-01
-2.574288E-01
+2.486236E-01
+2.531628E-01
+2.460219E-01
+2.521918E-01
 0.000000E+00
 0.000000E+00
 0.000000E+00
diff --git a/tests/regression_tests/cmfd_feed_rectlin/results_true.dat b/tests/regression_tests/cmfd_feed_rectlin/results_true.dat
index 1a9c3f4e4..600b5d152 100644
--- a/tests/regression_tests/cmfd_feed_rectlin/results_true.dat
+++ b/tests/regression_tests/cmfd_feed_rectlin/results_true.dat
@@ -1,149 +1,149 @@
 k-combined:
-1.167761E+00 4.293426E-03
+1.160561E+00 1.029736E-02
 tally 1:
-1.202277E+01
-1.452746E+01
-2.195725E+01
-4.835710E+01
-2.862021E+01
-8.215585E+01
-3.453333E+01
-1.196497E+02
-3.756803E+01
-1.414919E+02
-3.739045E+01
-1.403446E+02
-3.361501E+01
-1.134271E+02
-2.819861E+01
-7.968185E+01
-2.111919E+01
-4.472336E+01
-1.129975E+01
-1.280982E+01
+1.089904E+01
+1.193573E+01
+2.026534E+01
+4.113383E+01
+2.723584E+01
+7.440537E+01
+3.309956E+01
+1.101184E+02
+3.659327E+01
+1.341221E+02
+3.780158E+01
+1.430045E+02
+3.520883E+01
+1.241772E+02
+2.961801E+01
+8.784675E+01
+2.182029E+01
+4.781083E+01
+1.180347E+01
+1.399970E+01
 tally 2:
-8.743037E+00
-3.861220E+00
-6.027264E+00
-1.836570E+00
-3.366159E+01
-5.708871E+01
-2.367086E+01
-2.824484E+01
-2.348709E+01
-2.777633E+01
-1.668756E+01
-1.403629E+01
-5.609969E+01
-1.580739E+02
-3.985682E+01
-7.985715E+01
-3.319543E+01
-5.528370E+01
-2.358360E+01
-2.791829E+01
-7.132407E+01
-2.550603E+02
-5.083603E+01
-1.296049E+02
-3.801086E+01
-7.257141E+01
-2.709688E+01
-3.686995E+01
-3.751307E+01
-7.073318E+01
-2.660859E+01
-3.559134E+01
-7.258292E+01
-2.644619E+02
-5.168044E+01
-1.340982E+02
-3.304423E+01
-5.486256E+01
-2.335526E+01
-2.742989E+01
-5.655005E+01
-1.603926E+02
-4.014572E+01
-8.087797E+01
-2.351019E+01
-2.776367E+01
-1.670083E+01
-1.401374E+01
-3.451886E+01
-5.983149E+01
-2.443300E+01
-2.997375E+01
-8.551177E+00
-3.691263E+00
-5.916124E+00
-1.768556E+00
+8.794706E+00
+3.939413E+00
+6.131113E+00
+1.913116E+00
+3.265522E+01
+5.364042E+01
+2.304238E+01
+2.672742E+01
+2.250225E+01
+2.541491E+01
+1.601668E+01
+1.288405E+01
+5.525355E+01
+1.531915E+02
+3.929637E+01
+7.748545E+01
+3.222711E+01
+5.216630E+01
+2.285375E+01
+2.623641E+01
+7.051908E+01
+2.495413E+02
+5.010064E+01
+1.259701E+02
+3.728726E+01
+6.974440E+01
+2.652872E+01
+3.530919E+01
+3.747306E+01
+7.058235E+01
+2.681415E+01
+3.613314E+01
+7.296802E+01
+2.669214E+02
+5.202502E+01
+1.356733E+02
+3.333947E+01
+5.579355E+01
+2.361733E+01
+2.800800E+01
+5.785916E+01
+1.680561E+02
+4.093282E+01
+8.410711E+01
+2.377151E+01
+2.842464E+01
+1.681789E+01
+1.423646E+01
+3.422028E+01
+5.880493E+01
+2.415199E+01
+2.930240E+01
+8.890608E+00
+3.986356E+00
+6.140159E+00
+1.897764E+00
 tally 3:
-5.799161E+00
-1.702117E+00
-3.588837E-01
-7.127789E-03
-2.273477E+01
-2.606361E+01
-1.586822E+00
-1.296956E-01
-1.606466E+01
-1.300770E+01
-1.018209E+00
-5.281297E-02
-3.840128E+01
-7.415483E+01
-2.383738E+00
-2.877855E-01
-2.268388E+01
-2.583457E+01
-1.485208E+00
-1.122747E-01
-4.899435E+01
-1.204028E+02
-3.203505E+00
-5.163235E-01
-2.610714E+01
-3.423244E+01
-1.707156E+00
-1.476400E-01
-2.559242E+01
-3.293100E+01
-1.761813E+00
-1.597786E-01
-4.985698E+01
-1.248029E+02
-3.081386E+00
-4.824389E-01
-2.245777E+01
-2.536963E+01
-1.447127E+00
-1.065745E-01
-3.869628E+01
-7.516217E+01
-2.545419E+00
-3.270790E-01
-1.610401E+01
-1.303231E+01
-1.011897E+00
-5.274155E-02
-2.353410E+01
-2.781055E+01
-1.517873E+00
-1.184503E-01
-5.687356E+00
-1.636570E+00
-3.728435E-01
-7.203797E-03
+5.925339E+00
+1.788596E+00
+3.912632E-01
+8.061838E-03
+2.215544E+01
+2.471404E+01
+1.465191E+00
+1.092622E-01
+1.542988E+01
+1.195626E+01
+1.022876E+00
+5.356825E-02
+3.792029E+01
+7.218149E+01
+2.370476E+00
+2.839465E-01
+2.200154E+01
+2.432126E+01
+1.360836E+00
+9.402424E-02
+4.824980E+01
+1.168447E+02
+3.124366E+00
+4.907460E-01
+2.557420E+01
+3.282066E+01
+1.725855E+00
+1.519830E-01
+2.577963E+01
+3.341077E+01
+1.654042E+00
+1.386845E-01
+5.008220E+01
+1.257610E+02
+3.223857E+00
+5.237360E-01
+2.273380E+01
+2.595325E+01
+1.438369E+00
+1.050840E-01
+3.938822E+01
+7.789691E+01
+2.648324E+00
+3.559703E-01
+1.623604E+01
+1.327214E+01
+1.058882E+00
+5.680630E-02
+2.325730E+01
+2.717892E+01
+1.584276E+00
+1.275868E-01
+5.937929E+00
+1.774847E+00
+3.866918E-01
+7.994353E-03
 tally 4:
-3.060660E+00
-4.703581E-01
+3.063235E+00
+4.714106E-01
 0.000000E+00
 0.000000E+00
-1.451637E+00
-1.081522E-01
-4.402560E+00
-9.746218E-01
+1.425705E+00
+1.043616E-01
+4.355515E+00
+9.538346E-01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -160,14 +160,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-4.402560E+00
-9.746218E-01
-1.451637E+00
-1.081522E-01
-3.903491E+00
-7.713768E-01
-6.448935E+00
-2.089570E+00
+4.355515E+00
+9.538346E-01
+1.425705E+00
+1.043616E-01
+3.859174E+00
+7.519499E-01
+6.350310E+00
+2.024214E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -184,14 +184,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-6.448935E+00
-2.089570E+00
-3.903491E+00
-7.713768E-01
-5.075609E+00
-1.297182E+00
-7.371853E+00
-2.729133E+00
+6.350310E+00
+2.024214E+00
+3.859174E+00
+7.519499E-01
+4.993073E+00
+1.258264E+00
+7.194275E+00
+2.596886E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -208,14 +208,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-7.371853E+00
-2.729133E+00
-5.075609E+00
-1.297182E+00
-7.015514E+00
-2.477295E+00
-8.723726E+00
-3.828466E+00
+7.194275E+00
+2.596886E+00
+4.993073E+00
+1.258264E+00
+6.786617E+00
+2.312259E+00
+8.306978E+00
+3.459668E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -232,14 +232,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-8.723726E+00
-3.828466E+00
-7.015514E+00
-2.477295E+00
-7.735344E+00
-3.007547E+00
-9.106625E+00
-4.165807E+00
+8.306978E+00
+3.459668E+00
+6.786617E+00
+2.312259E+00
+7.603410E+00
+2.905228E+00
+8.791222E+00
+3.882935E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -256,14 +256,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-9.106625E+00
-4.165807E+00
-7.735344E+00
-3.007547E+00
-9.026526E+00
-4.098261E+00
-9.551542E+00
-4.586695E+00
+8.791222E+00
+3.882935E+00
+7.603410E+00
+2.905228E+00
+8.867113E+00
+3.938503E+00
+9.302808E+00
+4.340042E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -280,14 +280,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-9.551542E+00
-4.586695E+00
-9.026526E+00
-4.098261E+00
-9.344096E+00
-4.384840E+00
-9.405215E+00
-4.441966E+00
+9.302808E+00
+4.340042E+00
+8.867113E+00
+3.938503E+00
+9.270113E+00
+4.306513E+00
+9.263471E+00
+4.302184E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -304,14 +304,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-9.405215E+00
-4.441966E+00
-9.344096E+00
-4.384840E+00
-9.390313E+00
-4.435716E+00
-9.011690E+00
-4.080913E+00
+9.263471E+00
+4.302184E+00
+9.270113E+00
+4.306513E+00
+9.348712E+00
+4.388570E+00
+8.977713E+00
+4.047349E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -328,14 +328,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-9.011690E+00
-4.080913E+00
-9.390313E+00
-4.435716E+00
-9.140785E+00
-4.195868E+00
-8.003067E+00
-3.218771E+00
+8.977713E+00
+4.047349E+00
+9.348712E+00
+4.388570E+00
+9.234380E+00
+4.280666E+00
+8.036978E+00
+3.239853E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -352,14 +352,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-8.003067E+00
-3.218771E+00
-9.140785E+00
-4.195868E+00
-8.629258E+00
-3.736554E+00
-7.133986E+00
-2.557637E+00
+8.036978E+00
+3.239853E+00
+9.234380E+00
+4.280666E+00
+8.713633E+00
+3.808850E+00
+7.160878E+00
+2.572915E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -376,14 +376,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-7.133986E+00
-2.557637E+00
-8.629258E+00
-3.736554E+00
-7.284136E+00
-2.659936E+00
-5.069993E+00
-1.289638E+00
+7.160878E+00
+2.572915E+00
+8.713633E+00
+3.808850E+00
+7.378538E+00
+2.732122E+00
+5.145728E+00
+1.329190E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -400,14 +400,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-5.069993E+00
-1.289638E+00
-7.284136E+00
-2.659936E+00
-6.585377E+00
-2.178573E+00
-4.109746E+00
-8.535283E-01
+5.145728E+00
+1.329190E+00
+7.378538E+00
+2.732122E+00
+6.660125E+00
+2.228506E+00
+4.087925E+00
+8.435381E-01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -424,14 +424,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-4.109746E+00
-8.535283E-01
-6.585377E+00
-2.178573E+00
-4.394913E+00
-9.694834E-01
-1.455260E+00
-1.073327E-01
+4.087925E+00
+8.435381E-01
+6.660125E+00
+2.228506E+00
+4.466295E+00
+1.002320E+00
+1.468481E+00
+1.099604E-01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -448,12 +448,12 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-1.455260E+00
-1.073327E-01
-4.394913E+00
-9.694834E-01
-3.054512E+00
-4.687172E-01
+1.468481E+00
+1.099604E-01
+4.466295E+00
+1.002320E+00
+3.139355E+00
+4.955456E-01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -473,164 +473,164 @@ tally 4:
 0.000000E+00
 0.000000E+00
 tally 5:
-5.798163E+00
-1.701480E+00
-7.719076E-01
-3.205800E-02
-2.272861E+01
-2.604939E+01
-3.183925E+00
-5.123120E-01
-1.606367E+01
-1.300597E+01
-2.209506E+00
-2.514085E-01
-3.839444E+01
-7.412912E+01
-5.235063E+00
-1.389014E+00
-2.268086E+01
-2.582733E+01
-3.074902E+00
-4.810618E-01
-4.898566E+01
-1.203589E+02
-6.606838E+00
-2.201101E+00
-2.609836E+01
-3.420917E+01
-3.518842E+00
-6.264238E-01
-2.558605E+01
-3.291399E+01
-3.686659E+00
-6.942431E-01
-4.984902E+01
-1.247644E+02
-6.876822E+00
-2.400434E+00
-2.245394E+01
-2.536044E+01
-3.098158E+00
-4.940204E-01
-3.868744E+01
-7.512715E+01
-5.302748E+00
-1.428609E+00
-1.610093E+01
-1.302770E+01
-2.252209E+00
-2.578778E-01
-2.352951E+01
-2.779963E+01
-3.249775E+00
-5.380883E-01
-5.685356E+00
-1.635162E+00
-7.886630E-01
-3.440650E-02
+5.925339E+00
+1.788596E+00
+8.954773E-01
+4.217679E-02
+2.215054E+01
+2.470273E+01
+2.944747E+00
+4.443186E-01
+1.542658E+01
+1.195085E+01
+1.950262E+00
+1.946340E-01
+3.791137E+01
+7.214779E+01
+4.955741E+00
+1.254830E+00
+2.200054E+01
+2.431894E+01
+3.031040E+00
+4.685971E-01
+4.823946E+01
+1.167941E+02
+6.226321E+00
+1.956308E+00
+2.556930E+01
+3.280828E+01
+3.582546E+00
+6.505962E-01
+2.577249E+01
+3.339204E+01
+3.316825E+00
+5.676842E-01
+5.007249E+01
+1.257124E+02
+6.462364E+00
+2.120157E+00
+2.273285E+01
+2.595106E+01
+2.960964E+00
+4.496277E-01
+3.937362E+01
+7.783849E+01
+5.339336E+00
+1.449257E+00
+1.623315E+01
+1.326746E+01
+2.289661E+00
+2.698618E-01
+2.325250E+01
+2.716827E+01
+3.253010E+00
+5.413837E-01
+5.937929E+00
+1.774847E+00
+9.208589E-01
+4.421403E-02
 cmfd indices
 1.400000E+01
 1.000000E+00
 1.000000E+00
 1.000000E+00
 k cmfd
-1.154550E+00
-1.172635E+00
-1.171962E+00
-1.174888E+00
-1.182656E+00
-1.190779E+00
-1.200964E+00
-1.196775E+00
-1.190049E+00
-1.181514E+00
-1.180749E+00
-1.179370E+00
-1.177279E+00
-1.178924E+00
-1.177106E+00
-1.179987E+00
+1.125528E+00
+1.145509E+00
+1.158948E+00
+1.171983E+00
+1.180649E+00
+1.184072E+00
+1.188112E+00
+1.183095E+00
+1.182269E+00
+1.175467E+00
+1.175184E+00
+1.172637E+00
+1.171593E+00
+1.175439E+00
+1.174650E+00
+1.176474E+00
 cmfd entropy
-3.598911E+00
-3.600560E+00
-3.599978E+00
-3.601027E+00
-3.599502E+00
-3.598849E+00
-3.601916E+00
-3.605728E+00
-3.607212E+00
-3.612277E+00
-3.615627E+00
-3.618446E+00
-3.615292E+00
-3.612951E+00
-3.610620E+00
-3.607388E+00
+3.607059E+00
+3.604890E+00
+3.601329E+00
+3.597776E+00
+3.597360E+00
+3.597387E+00
+3.595379E+00
+3.596995E+00
+3.600901E+00
+3.601832E+00
+3.601426E+00
+3.604521E+00
+3.602848E+00
+3.603875E+00
+3.605213E+00
+3.606699E+00
 cmfd balance
-6.80696E-03
-7.03786E-03
-5.33837E-03
-5.39054E-03
-4.82209E-03
-4.46014E-03
-4.48076E-03
-3.31344E-03
-2.71476E-03
-2.03403E-03
-1.68070E-03
-1.38975E-03
-1.30457E-03
-1.29678E-03
-1.34009E-03
-1.43023E-03
+4.46212E-03
+4.66648E-03
+5.04274E-03
+5.21553E-03
+3.92498E-03
+2.97185E-03
+2.79785E-03
+2.66951E-03
+2.17472E-03
+1.98009E-03
+1.77035E-03
+1.51281E-03
+1.52807E-03
+1.33341E-03
+1.18155E-03
+1.07752E-03
 cmfd dominance ratio
-5.913E-01
-5.946E-01
-5.961E-01
-5.995E-01
-6.024E-01
-6.050E-01
-6.056E-01
-6.062E-01
-6.064E-01
-6.087E-01
-6.117E-01
-6.120E-01
+6.136E-01
+6.127E-01
+6.137E-01
+6.102E-01
+6.067E-01
+6.061E-01
+6.031E-01
+6.046E-01
+6.071E-01
 6.089E-01
-6.074E-01
-6.052E-01
-6.030E-01
+6.073E-01
+6.080E-01
+6.080E-01
+6.090E-01
+6.092E-01
+6.094E-01
 cmfd openmc source comparison
-1.274461E-02
-9.191627E-03
-7.371466E-03
-4.977614E-03
-4.481864E-03
-3.396798E-03
-2.167863E-03
-4.137274E-03
-4.692749E-03
-2.955754E-03
-2.656269E-03
-2.241441E-03
-4.127496E-03
-3.040657E-03
-3.925292E-03
-3.183157E-03
+1.043027E-02
+1.278226E-02
+1.184867E-02
+1.017186E-02
+1.099696E-02
+7.955341E-03
+8.360344E-03
+6.875508E-03
+4.824018E-03
+4.915363E-03
+5.371647E-03
+4.593100E-03
+4.894955E-03
+4.928253E-03
+4.292171E-03
+4.018545E-03
 cmfd source
-1.525739E-02
-6.776716E-02
-4.352345E-02
-1.020209E-01
-6.379967E-02
-1.378464E-01
-7.334653E-02
-7.562170E-02
-1.318340E-01
-6.145426E-02
-1.073314E-01
-4.229800E-02
-6.258388E-02
-1.531527E-02
+1.600876E-02
+6.000305E-02
+4.248071E-02
+9.935789E-02
+5.768092E-02
+1.338593E-01
+7.417398E-02
+7.102984E-02
+1.382563E-01
+6.181889E-02
+1.142473E-01
+4.571447E-02
+6.864655E-02
+1.672206E-02
diff --git a/tests/regression_tests/cmfd_feed_ref_d/results_true.dat b/tests/regression_tests/cmfd_feed_ref_d/results_true.dat
index cf1e165b2..9cc26b8cf 100644
--- a/tests/regression_tests/cmfd_feed_ref_d/results_true.dat
+++ b/tests/regression_tests/cmfd_feed_ref_d/results_true.dat
@@ -1,117 +1,117 @@
 k-combined:
-1.184724E+00 9.807415E-03
+1.167869E+00 7.492916E-03
 tally 1:
-1.121178E+01
-1.261180E+01
-2.101384E+01
-4.433764E+01
-2.783041E+01
-7.777181E+01
-3.351124E+01
-1.125137E+02
-3.625716E+01
-1.319682E+02
-3.741849E+01
-1.403752E+02
-3.537964E+01
-1.255737E+02
-3.030185E+01
-9.227364E+01
-2.188275E+01
-4.810760E+01
-1.172353E+01
-1.379028E+01
+1.146821E+01
+1.318787E+01
+2.161476E+01
+4.685066E+01
+2.951084E+01
+8.733116E+01
+3.521523E+01
+1.242762E+02
+3.774181E+01
+1.426460E+02
+3.727924E+01
+1.391162E+02
+3.377236E+01
+1.143877E+02
+2.904590E+01
+8.453427E+01
+2.090941E+01
+4.384824E+01
+1.078680E+01
+1.168172E+01
 tally 2:
-1.146903E+00
-1.315387E+00
-8.067939E-01
-6.509164E-01
-2.070041E+00
-4.285068E+00
-1.468994E+00
-2.157944E+00
-2.703198E+00
-7.307278E+00
-1.895572E+00
-3.593192E+00
-3.567627E+00
-1.272796E+01
-2.541486E+00
-6.459152E+00
-3.937479E+00
-1.550374E+01
-2.770473E+00
-7.675520E+00
-3.960493E+00
-1.568551E+01
-2.792683E+00
-7.799079E+00
-3.243496E+00
-1.052027E+01
-2.296698E+00
-5.274821E+00
-2.794771E+00
-7.810744E+00
-1.953175E+00
-3.814893E+00
-2.187333E+00
-4.784426E+00
-1.544523E+00
-2.385551E+00
-1.199628E+00
-1.439107E+00
-8.356207E-01
-6.982620E-01
+1.136805E+00
+1.292326E+00
+7.987282E-01
+6.379667E-01
+2.266961E+00
+5.139112E+00
+1.613498E+00
+2.603376E+00
+3.046379E+00
+9.280427E+00
+2.182480E+00
+4.763219E+00
+3.568101E+00
+1.273134E+01
+2.532478E+00
+6.413444E+00
+3.989532E+00
+1.591637E+01
+2.848319E+00
+8.112921E+00
+3.853139E+00
+1.484668E+01
+2.718497E+00
+7.390223E+00
+3.478134E+00
+1.209742E+01
+2.467279E+00
+6.087465E+00
+2.952214E+00
+8.715569E+00
+2.103257E+00
+4.423688E+00
+1.917446E+00
+3.676599E+00
+1.378361E+00
+1.899878E+00
+1.048230E+00
+1.098785E+00
+7.511876E-01
+5.642828E-01
 tally 3:
-7.817283E-01
-6.110991E-01
-5.930048E-02
-3.516547E-03
-1.426340E+00
-2.034446E+00
-8.539269E-02
-7.291911E-03
-1.815669E+00
-3.296655E+00
-1.221590E-01
-1.492282E-02
-2.447185E+00
-5.988716E+00
-1.624833E-01
-2.640082E-02
-2.670094E+00
-7.129404E+00
-1.838315E-01
-3.379401E-02
-2.683021E+00
-7.198600E+00
-1.719714E-01
-2.957416E-02
-2.215470E+00
-4.908307E+00
-1.707854E-01
-2.916764E-02
-1.872360E+00
-3.505733E+00
-1.209730E-01
-1.463446E-02
-1.484189E+00
-2.202817E+00
-1.114849E-01
-1.242888E-02
-8.018794E-01
-6.430105E-01
-5.692846E-02
-3.240849E-03
+7.701212E-01
+5.930866E-01
+4.481580E-02
+2.008456E-03
+1.547321E+00
+2.394203E+00
+1.226538E-01
+1.504395E-02
+2.106393E+00
+4.436893E+00
+1.450617E-01
+2.104289E-02
+2.437675E+00
+5.942260E+00
+1.521379E-01
+2.314593E-02
+2.754657E+00
+7.588135E+00
+1.745458E-01
+3.046622E-02
+2.623856E+00
+6.884619E+00
+1.851600E-01
+3.428423E-02
+2.376884E+00
+5.649579E+00
+1.615728E-01
+2.610576E-02
+2.021851E+00
+4.087882E+00
+1.533172E-01
+2.350617E-02
+1.333182E+00
+1.777374E+00
+7.076179E-02
+5.007231E-03
+7.258458E-01
+5.268521E-01
+3.656026E-02
+1.336653E-03
 tally 4:
-1.404164E-01
-1.971677E-02
+1.667426E-01
+2.780308E-02
 0.000000E+00
 0.000000E+00
-1.383903E-01
-1.915186E-02
-2.626104E-01
-6.896424E-02
+1.292556E-01
+1.670700E-02
+2.813401E-01
+7.915227E-02
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -128,14 +128,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-2.626104E-01
-6.896424E-02
-1.383903E-01
-1.915186E-02
-2.300555E-01
-5.292554E-02
-3.213857E-01
-1.032888E-01
+2.813401E-01
+7.915227E-02
+1.292556E-01
+1.670700E-02
+2.670582E-01
+7.132006E-02
+4.055365E-01
+1.644599E-01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -152,14 +152,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-3.213857E-01
-1.032888E-01
-2.300555E-01
-5.292554E-02
-3.621759E-01
-1.311714E-01
-4.326073E-01
-1.871490E-01
+4.055365E-01
+1.644599E-01
+2.670582E-01
+7.132006E-02
+3.848164E-01
+1.480837E-01
+4.809472E-01
+2.313102E-01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -176,14 +176,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-4.326073E-01
-1.871490E-01
-3.621759E-01
-1.311714E-01
-4.274871E-01
-1.827452E-01
-4.701411E-01
-2.210326E-01
+4.809472E-01
+2.313102E-01
+3.848164E-01
+1.480837E-01
+4.543959E-01
+2.064756E-01
+5.106174E-01
+2.607301E-01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -200,14 +200,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-4.701411E-01
-2.210326E-01
-4.274871E-01
-1.827452E-01
-4.867793E-01
-2.369540E-01
-5.027352E-01
-2.527427E-01
+5.106174E-01
+2.607301E-01
+4.543959E-01
+2.064756E-01
+4.543155E-01
+2.064026E-01
+4.626331E-01
+2.140294E-01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -224,14 +224,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-5.027352E-01
-2.527427E-01
-4.867793E-01
-2.369540E-01
-4.679247E-01
-2.189535E-01
-4.504680E-01
-2.029214E-01
+4.626331E-01
+2.140294E-01
+4.543155E-01
+2.064026E-01
+4.827763E-01
+2.330729E-01
+4.442611E-01
+1.973679E-01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -248,14 +248,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-4.504680E-01
-2.029214E-01
-4.679247E-01
-2.189535E-01
-4.341058E-01
-1.884478E-01
-3.622812E-01
-1.312477E-01
+4.442611E-01
+1.973679E-01
+4.827763E-01
+2.330729E-01
+4.630415E-01
+2.144074E-01
+3.886521E-01
+1.510505E-01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -272,14 +272,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-3.622812E-01
-1.312477E-01
-4.341058E-01
-1.884478E-01
-3.743485E-01
-1.401368E-01
-2.666983E-01
-7.112801E-02
+3.886521E-01
+1.510505E-01
+4.630415E-01
+2.144074E-01
+3.535862E-01
+1.250232E-01
+2.530293E-01
+6.402384E-02
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -296,14 +296,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-2.666983E-01
-7.112801E-02
-3.743485E-01
-1.401368E-01
-2.832798E-01
-8.024744E-02
-1.469655E-01
-2.159885E-02
+2.530293E-01
+6.402384E-02
+3.535862E-01
+1.250232E-01
+2.465508E-01
+6.078730E-02
+1.197139E-01
+1.433141E-02
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -320,12 +320,12 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-1.469655E-01
-2.159885E-02
-2.832798E-01
-8.024744E-02
-1.515017E-01
-2.295275E-02
+1.197139E-01
+1.433141E-02
+2.465508E-01
+6.078730E-02
+1.369614E-01
+1.875841E-02
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -345,119 +345,119 @@ tally 4:
 0.000000E+00
 0.000000E+00
 tally 5:
-7.817283E-01
-6.110991E-01
-1.253966E-01
-1.572431E-02
-1.426340E+00
-2.034446E+00
-2.208824E-01
-4.878905E-02
-1.815669E+00
-3.296655E+00
-2.598719E-01
-6.753342E-02
-2.446230E+00
-5.984040E+00
-3.067264E-01
-9.408108E-02
-2.670094E+00
-7.129404E+00
-3.358723E-01
-1.128102E-01
-2.682092E+00
-7.193615E+00
-3.021784E-01
-9.131179E-02
-2.215470E+00
-4.908307E+00
-3.092112E-01
-9.561158E-02
-1.871290E+00
-3.501727E+00
-2.400626E-01
-5.763006E-02
-1.483119E+00
-2.199642E+00
-2.197799E-01
-4.830323E-02
-8.009200E-01
-6.414728E-01
-1.023113E-01
-1.046761E-02
+7.701212E-01
+5.930866E-01
+1.386254E-01
+1.921700E-02
+1.547321E+00
+2.394203E+00
+2.630318E-01
+6.918571E-02
+2.106393E+00
+4.436893E+00
+2.807911E-01
+7.884363E-02
+2.435870E+00
+5.933464E+00
+3.322093E-01
+1.103630E-01
+2.753652E+00
+7.582597E+00
+3.825961E-01
+1.463797E-01
+2.623856E+00
+6.884619E+00
+3.888719E-01
+1.512213E-01
+2.376884E+00
+5.649579E+00
+3.196211E-01
+1.021576E-01
+2.021851E+00
+4.087882E+00
+2.897873E-01
+8.397667E-02
+1.333182E+00
+1.777374E+00
+1.627096E-01
+2.647441E-02
+7.258458E-01
+5.268521E-01
+9.348575E-02
+8.739586E-03
 cmfd indices
 1.000000E+01
 1.000000E+00
 1.000000E+00
 1.000000E+00
 k cmfd
-1.165539E+00
-1.179703E+00
-1.191810E+00
-1.207373E+00
-1.203749E+00
-1.208059E+00
-1.208191E+00
-1.201767E+00
-1.201921E+00
-1.203758E+00
-1.209018E+00
+1.149087E+00
+1.156777E+00
+1.158641E+00
+1.159507E+00
+1.156564E+00
+1.160257E+00
+1.150344E+00
+1.149854E+00
+1.151616E+00
+1.164575E+00
+1.174683E+00
 cmfd entropy
-3.217563E+00
-3.209882E+00
-3.204676E+00
-3.212483E+00
-3.217256E+00
-3.216849E+00
-3.219070E+00
-3.217085E+00
-3.223663E+00
-3.230980E+00
-3.230377E+00
+3.216202E+00
+3.228703E+00
+3.220414E+00
+3.214361E+00
+3.215642E+00
+3.213607E+00
+3.212862E+00
+3.213128E+00
+3.213189E+00
+3.205465E+00
+3.202859E+00
 cmfd balance
-1.65304E-03
-2.29951E-03
-1.63426E-03
-1.40012E-03
-1.91396E-03
-1.62948E-03
-1.95633E-03
-2.03045E-03
-1.93004E-03
-2.33201E-03
-2.29894E-03
+3.08825E-03
+1.42554E-03
+1.21448E-03
+1.17859E-03
+1.06034E-03
+9.30949E-04
+1.35713E-03
+1.13694E-03
+1.14938E-03
+1.29296E-03
+1.46518E-03
 cmfd dominance ratio
-5.460E-01
-5.473E-01
-5.415E-01
-5.446E-01
-5.451E-01
-5.475E-01
-5.502E-01
-5.474E-01
-5.498E-01
-5.502E-01
-5.483E-01
+5.503E-01
+5.596E-01
+5.505E-01
+5.471E-01
+5.468E-01
+5.427E-01
+5.421E-01
+5.412E-01
+5.389E-01
+5.371E-01
+5.329E-01
 cmfd openmc source comparison
-6.484315E-03
-3.411419E-03
-4.321857E-03
-7.194272E-03
-9.907101E-03
-1.046661E-02
-1.050754E-02
-6.523687E-03
-7.212189E-03
-4.425062E-03
-2.540177E-03
+1.571006E-02
+6.945629E-03
+6.838511E-03
+6.183655E-03
+5.138825E-03
+4.362701E-03
+5.558586E-03
+4.188314E-03
+1.837101E-03
+2.737321E-03
+2.529244E-03
 cmfd source
-4.224343E-02
-7.503541E-02
-1.009853E-01
-1.238103E-01
-1.301388E-01
-1.425912E-01
-1.353339E-01
-1.134730E-01
-8.830826E-02
-4.808031E-02
+4.240947E-02
+8.226746E-02
+1.180848E-01
+1.328470E-01
+1.412449E-01
+1.424870E-01
+1.269297E-01
+1.096476E-01
+6.953001E-02
+3.455212E-02
diff --git a/tests/regression_tests/cmfd_feed_rolling_window/results_true.dat b/tests/regression_tests/cmfd_feed_rolling_window/results_true.dat
index a065289ec..5ff4a132f 100644
--- a/tests/regression_tests/cmfd_feed_rolling_window/results_true.dat
+++ b/tests/regression_tests/cmfd_feed_rolling_window/results_true.dat
@@ -1,117 +1,117 @@
 k-combined:
-1.169526E+00 5.973537E-03
+1.173626E+00 1.098719E-02
 tally 1:
-1.115884E+01
-1.253283E+01
-2.176964E+01
-4.753045E+01
-2.988209E+01
-8.948736E+01
-3.426842E+01
-1.176956E+02
-3.817775E+01
-1.464502E+02
-3.802079E+01
-1.449155E+02
-3.407399E+01
-1.166067E+02
-2.938579E+01
-8.673128E+01
-2.126809E+01
-4.540856E+01
-1.105934E+01
-1.229825E+01
+1.101892E+01
+1.218768E+01
+2.036233E+01
+4.152577E+01
+2.937587E+01
+8.637268E+01
+3.502389E+01
+1.231700E+02
+3.804803E+01
+1.453948E+02
+3.822561E+01
+1.465677E+02
+3.456290E+01
+1.198651E+02
+2.904088E+01
+8.470264E+01
+2.111529E+01
+4.463713E+01
+1.147633E+01
+1.326012E+01
 tally 2:
-1.064631E+00
-1.133439E+00
-7.584662E-01
-5.752710E-01
-1.898252E+00
-3.603361E+00
-1.330629E+00
-1.770573E+00
-2.737585E+00
-7.494369E+00
-1.949437E+00
-3.800303E+00
-3.313845E+00
-1.098157E+01
-2.356303E+00
-5.552166E+00
-3.735566E+00
-1.395445E+01
-2.657859E+00
-7.064213E+00
-4.052274E+00
-1.642093E+01
-2.864885E+00
-8.207568E+00
-3.385112E+00
-1.145899E+01
-2.358075E+00
-5.560519E+00
-2.776429E+00
-7.708560E+00
-1.960468E+00
-3.843434E+00
-2.240243E+00
-5.018688E+00
-1.549641E+00
-2.401386E+00
-1.092006E+00
-1.192478E+00
-7.441585E-01
-5.537719E-01
+1.010478E+00
+1.021066E+00
+6.902031E-01
+4.763804E-01
+1.899891E+00
+3.609584E+00
+1.322615E+00
+1.749312E+00
+2.756419E+00
+7.597845E+00
+1.955934E+00
+3.825676E+00
+3.818740E+00
+1.458278E+01
+2.704746E+00
+7.315652E+00
+3.920857E+00
+1.537312E+01
+2.843144E+00
+8.083470E+00
+3.835060E+00
+1.470768E+01
+2.728705E+00
+7.445831E+00
+3.510590E+00
+1.232424E+01
+2.497237E+00
+6.236191E+00
+2.717388E+00
+7.384198E+00
+1.903638E+00
+3.623837E+00
+2.207863E+00
+4.874659E+00
+1.563588E+00
+2.444808E+00
+1.289027E+00
+1.661591E+00
+9.022714E-01
+8.140937E-01
 tally 3:
-7.295798E-01
-5.322866E-01
-4.986135E-02
-2.486155E-03
-1.280099E+00
-1.638654E+00
-9.022531E-02
-8.140606E-03
-1.859202E+00
-3.456630E+00
-1.234662E-01
-1.524390E-02
-2.274313E+00
-5.172502E+00
-1.234662E-01
-1.524390E-02
-2.548554E+00
-6.495129E+00
-1.531456E-01
-2.345357E-02
-2.773126E+00
-7.690228E+00
-1.733276E-01
-3.004244E-02
-2.270798E+00
-5.156524E+00
-1.673917E-01
-2.801998E-02
-1.887286E+00
-3.561849E+00
-1.507712E-01
-2.273196E-02
-1.480414E+00
-2.191625E+00
-1.127816E-01
-1.271970E-02
-7.126366E-01
-5.078509E-01
-6.054593E-02
-3.665809E-03
+6.593197E-01
+4.347024E-01
+5.216387E-02
+2.721069E-03
+1.266446E+00
+1.603885E+00
+8.298797E-02
+6.887003E-03
+1.888709E+00
+3.567222E+00
+1.398940E-01
+1.957033E-02
+2.616078E+00
+6.843867E+00
+1.588627E-01
+2.523735E-02
+2.733300E+00
+7.470927E+00
+1.944290E-01
+3.780262E-02
+2.643656E+00
+6.988917E+00
+1.612338E-01
+2.599633E-02
+2.410643E+00
+5.811199E+00
+1.754603E-01
+3.078631E-02
+1.838012E+00
+3.378288E+00
+1.126265E-01
+1.268473E-02
+1.500033E+00
+2.250100E+00
+1.102554E-01
+1.215626E-02
+8.750096E-01
+7.656418E-01
+6.757592E-02
+4.566505E-03
 tally 4:
-1.416041E-01
-2.005172E-02
+1.490605E-01
+2.221904E-02
 0.000000E+00
 0.000000E+00
-1.118431E-01
-1.250887E-02
-2.419761E-01
-5.855243E-02
+1.139233E-01
+1.297851E-02
+2.549497E-01
+6.499934E-02
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -128,14 +128,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-2.419761E-01
-5.855243E-02
-1.118431E-01
-1.250887E-02
-2.383966E-01
-5.683292E-02
-3.454391E-01
-1.193281E-01
+2.549497E-01
+6.499934E-02
+1.139233E-01
+1.297851E-02
+2.191337E-01
+4.801958E-02
+3.295187E-01
+1.085826E-01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -152,14 +152,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-3.454391E-01
-1.193281E-01
-2.383966E-01
-5.683292E-02
-3.449676E-01
-1.190027E-01
-4.324309E-01
-1.869965E-01
+3.295187E-01
+1.085826E-01
+2.191337E-01
+4.801958E-02
+3.872400E-01
+1.499548E-01
+4.595835E-01
+2.112170E-01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -176,14 +176,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-4.324309E-01
-1.869965E-01
-3.449676E-01
-1.190027E-01
-4.410209E-01
-1.944994E-01
-4.785286E-01
-2.289896E-01
+4.595835E-01
+2.112170E-01
+3.872400E-01
+1.499548E-01
+4.668106E-01
+2.179121E-01
+5.112307E-01
+2.613569E-01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -200,14 +200,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-4.785286E-01
-2.289896E-01
-4.410209E-01
-1.944994E-01
-5.038795E-01
-2.538945E-01
-5.028063E-01
-2.528142E-01
+5.112307E-01
+2.613569E-01
+4.668106E-01
+2.179121E-01
+4.716605E-01
+2.224636E-01
+4.916148E-01
+2.416851E-01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -224,14 +224,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-5.028063E-01
-2.528142E-01
-5.038795E-01
-2.538945E-01
-4.780368E-01
-2.285192E-01
-4.303602E-01
-1.852099E-01
+4.916148E-01
+2.416851E-01
+4.716605E-01
+2.224636E-01
+4.696777E-01
+2.205972E-01
+4.365150E-01
+1.905453E-01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -248,14 +248,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-4.303602E-01
-1.852099E-01
-4.780368E-01
-2.285192E-01
-4.183673E-01
-1.750312E-01
-3.317104E-01
-1.100318E-01
+4.365150E-01
+1.905453E-01
+4.696777E-01
+2.205972E-01
+4.179902E-01
+1.747158E-01
+3.350564E-01
+1.122628E-01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -272,14 +272,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-3.317104E-01
-1.100318E-01
-4.183673E-01
-1.750312E-01
-3.797671E-01
-1.442230E-01
-2.636003E-01
-6.948514E-02
+3.350564E-01
+1.122628E-01
+4.179902E-01
+1.747158E-01
+3.743487E-01
+1.401370E-01
+2.400661E-01
+5.763172E-02
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -296,14 +296,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-2.636003E-01
-6.948514E-02
-3.797671E-01
-1.442230E-01
-2.686240E-01
-7.215888E-02
-1.324766E-01
-1.755005E-02
+2.400661E-01
+5.763172E-02
+3.743487E-01
+1.401370E-01
+3.063657E-01
+9.385994E-02
+1.605078E-01
+2.576275E-02
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -320,12 +320,12 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-1.324766E-01
-1.755005E-02
-2.686240E-01
-7.215888E-02
-1.444839E-01
-2.087560E-02
+1.605078E-01
+2.576275E-02
+3.063657E-01
+9.385994E-02
+1.700639E-01
+2.892174E-02
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -345,119 +345,119 @@ tally 4:
 0.000000E+00
 0.000000E+00
 tally 5:
-7.285713E-01
-5.308161E-01
-1.056136E-01
-1.115423E-02
-1.280099E+00
-1.638654E+00
-1.717497E-01
-2.949797E-02
-1.859202E+00
-3.456630E+00
-2.285372E-01
-5.222927E-02
-2.274313E+00
-5.172502E+00
-2.636808E-01
-6.952757E-02
-2.547588E+00
-6.490203E+00
-2.914026E-01
-8.491545E-02
-2.773126E+00
-7.690228E+00
-3.908576E-01
-1.527696E-01
-2.269831E+00
-5.152135E+00
-3.279256E-01
-1.075352E-01
-1.886272E+00
-3.558024E+00
-2.679083E-01
-7.177487E-02
-1.479436E+00
-2.188731E+00
-2.362981E-01
-5.583681E-02
-7.126366E-01
-5.078509E-01
-1.015892E-01
-1.032038E-02
+6.593197E-01
+4.347024E-01
+1.314196E-01
+1.727112E-02
+1.266446E+00
+1.603885E+00
+2.002491E-01
+4.009970E-02
+1.888709E+00
+3.567222E+00
+2.444522E-01
+5.975686E-02
+2.616078E+00
+6.843867E+00
+3.234935E-01
+1.046481E-01
+2.733300E+00
+7.470927E+00
+3.309500E-01
+1.095279E-01
+2.643656E+00
+6.988917E+00
+4.025014E-01
+1.620074E-01
+2.410643E+00
+5.811199E+00
+3.050040E-01
+9.302747E-02
+1.838012E+00
+3.378288E+00
+2.800764E-01
+7.844279E-02
+1.500033E+00
+2.250100E+00
+2.324765E-01
+5.404531E-02
+8.750096E-01
+7.656418E-01
+1.256919E-01
+1.579844E-02
 cmfd indices
 1.000000E+01
 1.000000E+00
 1.000000E+00
 1.000000E+00
 k cmfd
-1.188625E+00
-1.172261E+00
-1.172154E+00
-1.176234E+00
-1.161072E+00
-1.174217E+00
-1.176208E+00
-1.183067E+00
-1.208406E+00
-1.220367E+00
-1.208889E+00
+1.166297E+00
+1.148237E+00
+1.162472E+00
+1.187078E+00
+1.188411E+00
+1.194879E+00
+1.216739E+00
+1.216829E+00
+1.196596E+00
+1.199223E+00
+1.211817E+00
 cmfd entropy
-3.216548E+00
-3.213244E+00
-3.220132E+00
-3.216556E+00
-3.218184E+00
-3.208592E+00
-3.220641E+00
-3.217076E+00
-3.216257E+00
-3.212578E+00
-3.230102E+00
+3.215349E+00
+3.225577E+00
+3.223357E+00
+3.208828E+00
+3.211072E+00
+3.206578E+00
+3.195799E+00
+3.198236E+00
+3.220074E+00
+3.230249E+00
+3.238015E+00
 cmfd balance
-1.65186E-03
-1.76715E-03
-2.25997E-03
-2.27924E-03
-1.67354E-03
-1.72671E-03
-1.79744E-03
-1.99065E-03
-2.56417E-03
-2.45718E-03
-3.26245E-03
+2.07468E-03
+2.39687E-03
+1.51020E-03
+2.07618E-03
+1.89367E-03
+2.00902E-03
+2.54856E-03
+2.43636E-03
+2.48527E-03
+3.07775E-03
+3.37967E-03
 cmfd dominance ratio
-5.445E-01
-5.466E-01
-5.539E-01
-5.547E-01
-5.569E-01
-5.518E-01
-5.553E-01
-5.544E-01
-5.474E-01
-5.355E-01
-5.460E-01
+5.505E-01
+5.558E-01
+5.584E-01
+5.477E-01
+5.477E-01
+5.426E-01
+5.335E-01
+5.305E-01
+5.427E-01
+5.484E-01
+5.465E-01
 cmfd openmc source comparison
-5.662096E-03
-3.660183E-03
-4.806643E-03
-2.475327E-03
-6.166988E-03
-2.205088E-03
-4.010491E-03
-6.270883E-03
-3.070427E-03
-5.679208E-03
-1.488803E-02
+5.598628E-03
+1.162952E-02
+1.083004E-02
+1.037470E-02
+5.649750E-03
+5.137914E-03
+3.868209E-03
+1.208756E-02
+5.398131E-03
+8.119598E-03
+4.573105E-03
 cmfd source
-4.111004E-02
-7.023296E-02
-1.023250E-01
-1.185886E-01
-1.386562E-01
-1.392823E-01
-1.290017E-01
-1.147469E-01
-9.733704E-02
-4.871933E-02
+4.219187E-02
+8.692096E-02
+1.061389E-01
+1.199181E-01
+1.377328E-01
+1.326161E-01
+1.345872E-01
+1.112871E-01
+7.569533E-02
+5.291175E-02
diff --git a/tests/regression_tests/cmfd_nofeed/results_true.dat b/tests/regression_tests/cmfd_nofeed/results_true.dat
index dac35871c..756aa4570 100644
--- a/tests/regression_tests/cmfd_nofeed/results_true.dat
+++ b/tests/regression_tests/cmfd_nofeed/results_true.dat
@@ -1,117 +1,117 @@
 k-combined:
-1.170405E+00 1.487119E-02
+1.172893E+00 8.095197E-03
 tally 1:
-1.172722E+01
-1.378635E+01
-2.122139E+01
-4.511390E+01
-2.936481E+01
-8.649521E+01
-3.553909E+01
-1.265901E+02
-3.862903E+01
-1.497314E+02
-3.683895E+01
-1.358679E+02
-3.373597E+01
-1.140439E+02
-2.810435E+01
-7.932253E+01
-2.098314E+01
-4.409819E+01
-1.105096E+01
-1.224007E+01
+1.156995E+01
+1.347019E+01
+2.120053E+01
+4.531200E+01
+2.995993E+01
+8.997889E+01
+3.498938E+01
+1.226414E+02
+3.794510E+01
+1.442188E+02
+3.798115E+01
+1.446436E+02
+3.415954E+01
+1.171635E+02
+2.960329E+01
+8.785532E+01
+2.182231E+01
+4.782353E+01
+1.147379E+01
+1.321150E+01
 tally 2:
-2.275408E+01
-2.603315E+01
-1.590700E+01
-1.273395E+01
-4.112322E+01
-8.498758E+01
-2.911800E+01
-4.264070E+01
-5.707453E+01
-1.638375E+02
-4.069300E+01
-8.336155E+01
-6.915962E+01
-2.399628E+02
-4.926800E+01
-1.218497E+02
-7.521027E+01
-2.842789E+02
-5.357900E+01
-1.443468E+02
-7.387401E+01
-2.738660E+02
-5.263400E+01
-1.390611E+02
-6.871266E+01
-2.368771E+02
-4.902000E+01
-1.205569E+02
-5.632046E+01
-1.592677E+02
-3.999300E+01
-8.035469E+01
-4.291289E+01
-9.245946E+01
-3.046000E+01
-4.661878E+01
-2.273666E+01
-2.598211E+01
-1.590800E+01
-1.271433E+01
+2.345900E+01
+2.783672E+01
+1.627300E+01
+1.339749E+01
+4.127267E+01
+8.563716E+01
+2.934800E+01
+4.334439E+01
+5.742644E+01
+1.658158E+02
+4.092600E+01
+8.423842E+01
+6.740126E+01
+2.279288E+02
+4.796500E+01
+1.154602E+02
+7.340327E+01
+2.701349E+02
+5.235900E+01
+1.374186E+02
+7.387392E+01
+2.740829E+02
+5.277400E+01
+1.398425E+02
+6.733428E+01
+2.274414E+02
+4.800100E+01
+1.156206E+02
+5.794970E+01
+1.685421E+02
+4.124600E+01
+8.540686E+01
+4.257013E+01
+9.092401E+01
+3.014500E+01
+4.566369E+01
+2.300274E+01
+2.659051E+01
+1.613400E+01
+1.307448E+01
 tally 3:
-1.529800E+01
-1.178010E+01
-1.016076E+00
-5.280687E-02
-2.803900E+01
-3.955010E+01
-1.861024E+00
-1.765351E-01
-3.919400E+01
-7.734526E+01
-2.540695E+00
-3.268959E-01
-4.749400E+01
-1.132677E+02
-3.087604E+00
-4.837647E-01
-5.156500E+01
-1.337335E+02
-3.371014E+00
-5.734875E-01
-5.070500E+01
-1.290569E+02
-3.292766E+00
-5.489854E-01
-4.723400E+01
-1.119247E+02
-2.949932E+00
-4.381745E-01
-3.847900E+01
-7.441953E+01
-2.522868E+00
-3.218962E-01
-2.933900E+01
-4.325593E+01
-1.818016E+00
-1.672765E-01
-1.534700E+01
-1.183573E+01
-9.564025E-01
-4.735079E-02
+1.564900E+01
+1.239852E+01
+1.086873E+00
+6.047264E-02
+2.821700E+01
+4.006730E+01
+1.855830E+00
+1.755984E-01
+3.946300E+01
+7.833997E+01
+2.523142E+00
+3.210725E-01
+4.622500E+01
+1.072588E+02
+2.919735E+00
+4.340292E-01
+5.033400E+01
+1.270010E+02
+3.243022E+00
+5.318534E-01
+5.082400E+01
+1.297502E+02
+3.313898E+00
+5.546608E-01
+4.623700E+01
+1.072944E+02
+2.887766E+00
+4.203084E-01
+3.975000E+01
+7.934279E+01
+2.567158E+00
+3.333121E-01
+2.903500E+01
+4.237270E+01
+1.852070E+00
+1.733821E-01
+1.557800E+01
+1.219084E+01
+9.951884E-01
+5.121758E-02
 tally 4:
-3.092000E+00
-4.809100E-01
+3.111000E+00
+4.872850E-01
 0.000000E+00
 0.000000E+00
-2.628000E+00
-3.509980E-01
-5.388000E+00
-1.458946E+00
+2.794000E+00
+3.972060E-01
+5.520000E+00
+1.535670E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -128,14 +128,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-5.388000E+00
-1.458946E+00
-2.628000E+00
-3.509980E-01
-5.063000E+00
-1.292417E+00
-7.312000E+00
-2.686738E+00
+5.520000E+00
+1.535670E+00
+2.794000E+00
+3.972060E-01
+5.071000E+00
+1.305697E+00
+7.303000E+00
+2.685365E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -152,14 +152,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-7.312000E+00
-2.686738E+00
-5.063000E+00
-1.292417E+00
-7.115000E+00
-2.542363E+00
-8.719000E+00
-3.819081E+00
+7.303000E+00
+2.685365E+00
+5.071000E+00
+1.305697E+00
+7.015000E+00
+2.471981E+00
+8.545000E+00
+3.670539E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -176,14 +176,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-8.719000E+00
-3.819081E+00
-7.115000E+00
-2.542363E+00
-8.483000E+00
-3.615549E+00
-9.255000E+00
-4.303287E+00
+8.545000E+00
+3.670539E+00
+7.015000E+00
+2.471981E+00
+8.431000E+00
+3.570057E+00
+9.224000E+00
+4.268004E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -200,14 +200,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-9.255000E+00
-4.303287E+00
-8.483000E+00
-3.615549E+00
-9.375000E+00
-4.416751E+00
-9.330000E+00
-4.375230E+00
+9.224000E+00
+4.268004E+00
+8.431000E+00
+3.570057E+00
+9.217000E+00
+4.259749E+00
+9.305000E+00
+4.340149E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -224,14 +224,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-9.330000E+00
-4.375230E+00
-9.375000E+00
-4.416751E+00
-9.346000E+00
-4.379220E+00
-8.458000E+00
-3.585930E+00
+9.305000E+00
+4.340149E+00
+9.217000E+00
+4.259749E+00
+9.374000E+00
+4.415290E+00
+8.611000E+00
+3.718227E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -248,14 +248,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-8.458000E+00
-3.585930E+00
-9.346000E+00
-4.379220E+00
-8.671000E+00
-3.770383E+00
-7.062000E+00
-2.505966E+00
+8.611000E+00
+3.718227E+00
+9.374000E+00
+4.415290E+00
+8.515000E+00
+3.639945E+00
+7.056000E+00
+2.501658E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -272,14 +272,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-7.062000E+00
-2.505966E+00
-8.671000E+00
-3.770383E+00
-7.279000E+00
-2.663587E+00
-4.994000E+00
-1.261468E+00
+7.056000E+00
+2.501658E+00
+8.515000E+00
+3.639945E+00
+7.385000E+00
+2.737677E+00
+5.194000E+00
+1.356022E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -296,14 +296,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-4.994000E+00
-1.261468E+00
-7.279000E+00
-2.663587E+00
-5.492000E+00
-1.515002E+00
-2.772000E+00
-3.896040E-01
+5.194000E+00
+1.356022E+00
+7.385000E+00
+2.737677E+00
+5.436000E+00
+1.481654E+00
+2.756000E+00
+3.843860E-01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -320,12 +320,12 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-2.772000E+00
-3.896040E-01
-5.492000E+00
-1.515002E+00
-3.022000E+00
-4.608940E-01
+2.756000E+00
+3.843860E-01
+5.436000E+00
+1.481654E+00
+3.030000E+00
+4.643920E-01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -345,144 +345,144 @@ tally 4:
 0.000000E+00
 0.000000E+00
 tally 5:
-1.529600E+01
-1.177689E+01
-2.229624E+00
-2.514699E-01
-2.803300E+01
-3.953329E+01
-3.889856E+00
-7.678274E-01
-3.918900E+01
-7.732686E+01
-5.211188E+00
-1.378173E+00
-4.748700E+01
-1.132339E+02
-6.595911E+00
-2.211528E+00
-5.155000E+01
-1.336522E+02
-6.673103E+00
-2.248462E+00
-5.069800E+01
-1.290196E+02
-6.907470E+00
-2.412919E+00
-4.722500E+01
-1.118824E+02
-6.200070E+00
-1.954544E+00
-3.847200E+01
-7.439145E+01
-5.385095E+00
-1.462192E+00
-2.933600E+01
-4.324744E+01
-4.014057E+00
-8.142088E-01
-1.534200E+01
-1.182781E+01
-2.076271E+00
-2.273431E-01
+1.564300E+01
+1.238861E+01
+2.090227E+00
+2.262627E-01
+2.821400E+01
+4.005826E+01
+3.870834E+00
+7.614623E-01
+3.945400E+01
+7.830326E+01
+5.290557E+00
+1.422339E+00
+4.621500E+01
+1.072116E+02
+6.144745E+00
+1.903309E+00
+5.032900E+01
+1.269756E+02
+6.867524E+00
+2.373593E+00
+5.081000E+01
+1.296784E+02
+6.456283E+00
+2.130767E+00
+4.623000E+01
+1.072613E+02
+5.931623E+00
+1.776451E+00
+3.974500E+01
+7.932288E+01
+5.339603E+00
+1.456812E+00
+2.902800E+01
+4.235232E+01
+4.102240E+00
+8.519551E-01
+1.557800E+01
+1.219084E+01
+2.137954E+00
+2.347770E-01
 cmfd indices
 1.000000E+01
 1.000000E+00
 1.000000E+00
 1.000000E+00
 k cmfd
-1.161531E+00
-1.181707E+00
-1.176063E+00
-1.168433E+00
-1.173170E+00
-1.174671E+00
-1.176457E+00
-1.177540E+00
-1.180826E+00
-1.174158E+00
-1.171305E+00
-1.172618E+00
-1.170171E+00
-1.173235E+00
-1.172599E+00
-1.177343E+00
+1.129918E+00
+1.148352E+00
+1.143137E+00
+1.145795E+00
+1.147285E+00
+1.148588E+00
+1.148151E+00
+1.162118E+00
+1.165380E+00
+1.162851E+00
+1.163379E+00
+1.166986E+00
+1.167838E+00
+1.171743E+00
+1.170398E+00
+1.169773E+00
 cmfd entropy
-3.206619E+00
-3.207385E+00
-3.208853E+00
-3.210825E+00
-3.214820E+00
-3.213490E+00
-3.212717E+00
-3.210590E+00
-3.211948E+00
-3.212156E+00
-3.212900E+00
-3.212275E+00
-3.212766E+00
-3.214205E+00
-3.212717E+00
-3.214169E+00
+3.224769E+00
+3.222795E+00
+3.221174E+00
+3.222164E+00
+3.221025E+00
+3.220967E+00
+3.223497E+00
+3.219213E+00
+3.221679E+00
+3.222084E+00
+3.222281E+00
+3.222540E+00
+3.224614E+00
+3.224193E+00
+3.224925E+00
+3.224367E+00
 cmfd balance
-4.99833E-03
-5.81289E-03
-3.45193E-03
-2.84521E-03
-3.72331E-03
-3.07942E-03
-2.58676E-03
-2.19354E-03
-2.11522E-03
-2.02671E-03
-1.71439E-03
-1.62909E-03
-1.43261E-03
-1.26201E-03
-1.40167E-03
-1.26141E-03
+3.90454E-03
+4.33180E-03
+3.77057E-03
+3.16391E-03
+3.11765E-03
+2.59886E-03
+2.81060E-03
+3.25473E-03
+2.68544E-03
+2.01716E-03
+1.89350E-03
+1.79159E-03
+1.51353E-03
+1.48514E-03
+1.50207E-03
+1.44045E-03
 cmfd dominance ratio
-5.283E-01
-5.304E-01
-5.310E-01
-5.324E-01
-5.372E-01
-5.369E-01
-5.367E-01
-5.341E-01
-5.353E-01
-5.375E-01
-5.379E-01
-5.372E-01
-5.379E-01
-5.393E-01
-5.384E-01
-5.382E-01
+5.539E-01
+5.522E-01
+5.491E-01
+5.511E-01
+5.506E-01
+5.523E-01
+5.523E-01
+5.473E-01
+5.478E-01
+5.461E-01
+5.462E-01
+5.459E-01
+5.475E-01
+5.463E-01
+5.466E-01
+5.469E-01
 cmfd openmc source comparison
-1.291827E-02
-9.488059E-03
-8.538280E-03
-6.820006E-03
-4.300032E-03
-5.486871E-03
-4.493389E-03
-4.913340E-03
-5.132196E-03
-3.342331E-03
-3.094995E-03
-3.553279E-03
-3.284811E-03
-2.492272E-03
-3.062765E-03
-2.632092E-03
+9.875240E-03
+1.119358E-02
+8.513903E-03
+7.728971E-03
+5.993771E-03
+5.837301E-03
+4.861789E-03
+5.624038E-03
+4.297229E-03
+4.029732E-03
+3.669197E-03
+3.598834E-03
+3.023310E-03
+3.347346E-03
+2.943658E-03
+2.764986E-03
 cmfd source
-4.280100E-02
-7.944783E-02
-1.091569E-01
-1.329540E-01
-1.451697E-01
-1.413526E-01
-1.258514E-01
-1.067698E-01
-7.656551E-02
-3.993138E-02
+4.561921E-02
+7.896381E-02
+1.084687E-01
+1.264057E-01
+1.408942E-01
+1.438180E-01
+1.247333E-01
+1.100896E-01
+7.897187E-02
+4.203556E-02
diff --git a/tests/regression_tests/cmfd_restart/results_true.dat b/tests/regression_tests/cmfd_restart/results_true.dat
index 90d8820d0..f5f22d9ac 100644
--- a/tests/regression_tests/cmfd_restart/results_true.dat
+++ b/tests/regression_tests/cmfd_restart/results_true.dat
@@ -1,117 +1,117 @@
 k-combined:
-1.159021E+00 8.924006E-03
+1.164262E+00 9.207592E-03
 tally 1:
-1.140162E+01
-1.306940E+01
-2.093739E+01
-4.404780E+01
-2.914408E+01
-8.521010E+01
-3.483677E+01
-1.216824E+02
-3.778463E+01
-1.429632E+02
-3.810371E+01
-1.455108E+02
-3.465248E+01
-1.207868E+02
-2.862033E+01
-8.218833E+01
-2.086025E+01
-4.365941E+01
-1.130798E+01
-1.286509E+01
+1.156972E+01
+1.339924E+01
+2.136306E+01
+4.567185E+01
+2.859527E+01
+8.195821E+01
+3.470754E+01
+1.207851E+02
+3.766403E+01
+1.422263E+02
+3.778821E+01
+1.432660E+02
+3.573197E+01
+1.278854E+02
+2.849979E+01
+8.135515E+01
+2.073803E+01
+4.303374E+01
+1.112117E+01
+1.242944E+01
 tally 2:
-2.234393E+01
-2.516414E+01
-1.555024E+01
-1.218205E+01
-4.087743E+01
-8.401702E+01
-2.883717E+01
-4.185393E+01
-5.635166E+01
-1.595225E+02
-3.998857E+01
-8.040398E+01
-6.887126E+01
-2.379185E+02
-4.903103E+01
-1.206174E+02
-7.452051E+01
-2.785675E+02
-5.295380E+01
-1.406900E+02
-7.495422E+01
-2.819070E+02
-5.333191E+01
-1.427474E+02
-6.921815E+01
-2.408568E+02
-4.928246E+01
-1.221076E+02
-5.668548E+01
-1.612556E+02
-4.035856E+01
-8.181159E+01
-4.259952E+01
-9.112630E+01
-3.026717E+01
-4.600625E+01
-2.310563E+01
-2.688378E+01
-1.615934E+01
-1.315528E+01
+2.388054E+01
+2.875255E+01
+1.667791E+01
+1.403426E+01
+4.224771E+01
+8.942109E+01
+2.993088E+01
+4.490335E+01
+5.689839E+01
+1.625557E+02
+4.043633E+01
+8.212299E+01
+6.764024E+01
+2.297126E+02
+4.807902E+01
+1.161468E+02
+7.314835E+01
+2.684645E+02
+5.203584E+01
+1.359261E+02
+7.375727E+01
+2.733105E+02
+5.252944E+01
+1.386205E+02
+6.909571E+01
+2.397721E+02
+4.922548E+01
+1.217465E+02
+5.685978E+01
+1.621746E+02
+4.051938E+01
+8.237277E+01
+4.185562E+01
+8.784067E+01
+2.983570E+01
+4.467414E+01
+2.238373E+01
+2.520356E+01
+1.566758E+01
+1.234103E+01
 tally 3:
-1.496375E+01
-1.128154E+01
-9.905641E-01
-5.125710E-02
-2.774937E+01
-3.877241E+01
-1.786861E+00
-1.627655E-01
-3.849739E+01
-7.453828E+01
-2.494135E+00
-3.158098E-01
-4.724085E+01
-1.119901E+02
-3.031174E+00
-4.653741E-01
-5.096719E+01
-1.303552E+02
-3.254375E+00
-5.351020E-01
-5.133808E+01
-1.322892E+02
-3.383595E+00
-5.798798E-01
-4.756072E+01
-1.137527E+02
-3.001917E+00
-4.558247E-01
-3.887437E+01
-7.593416E+01
-2.517908E+00
-3.221926E-01
-2.910687E+01
-4.255173E+01
-1.817765E+00
-1.678763E-01
-1.557241E+01
-1.222026E+01
-9.852737E-01
-5.002659E-02
+1.609520E+01
+1.307542E+01
+1.033429E+00
+5.510889E-02
+2.877073E+01
+4.149542E+01
+1.964219E+00
+1.954692E-01
+3.896816E+01
+7.629752E+01
+2.484053E+00
+3.103733E-01
+4.634285E+01
+1.079367E+02
+2.974750E+00
+4.468223E-01
+5.007964E+01
+1.259202E+02
+3.181802E+00
+5.103621E-01
+5.058915E+01
+1.286193E+02
+3.249442E+00
+5.337712E-01
+4.744464E+01
+1.131026E+02
+3.067644E+00
+4.736335E-01
+3.900632E+01
+7.634433E+01
+2.443552E+00
+3.028060E-01
+2.874166E+01
+4.146375E+01
+1.810421E+00
+1.671667E-01
+1.509222E+01
+1.145579E+01
+1.014919E+00
+5.391053E-02
 tally 4:
-3.047490E+00
-4.661458E-01
+3.148231E+00
+4.974555E-01
 0.000000E+00
 0.000000E+00
-2.635775E+00
-3.524426E-01
-5.357229E+00
-1.440049E+00
+2.805439E+00
+3.982239E-01
+5.574031E+00
+1.561105E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -128,14 +128,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-5.357229E+00
-1.440049E+00
-2.635775E+00
-3.524426E-01
-4.982072E+00
-1.251449E+00
-7.228146E+00
-2.620353E+00
+5.574031E+00
+1.561105E+00
+2.805439E+00
+3.982239E-01
+5.171038E+00
+1.344877E+00
+7.372031E+00
+2.725420E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -152,14 +152,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-7.228146E+00
-2.620353E+00
-4.982072E+00
-1.251449E+00
-7.082265E+00
-2.520047E+00
-8.736529E+00
-3.831244E+00
+7.372031E+00
+2.725420E+00
+5.171038E+00
+1.344877E+00
+6.946847E+00
+2.424850E+00
+8.496610E+00
+3.627542E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -176,14 +176,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-8.736529E+00
-3.831244E+00
-7.082265E+00
-2.520047E+00
-8.474631E+00
-3.607043E+00
-9.346623E+00
-4.390819E+00
+8.496610E+00
+3.627542E+00
+6.946847E+00
+2.424850E+00
+8.479501E+00
+3.607280E+00
+9.261869E+00
+4.305912E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -200,14 +200,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-9.346623E+00
-4.390819E+00
-8.474631E+00
-3.607043E+00
-9.496684E+00
-4.522478E+00
-9.532822E+00
-4.559003E+00
+9.261869E+00
+4.305912E+00
+8.479501E+00
+3.607280E+00
+9.232858E+00
+4.278432E+00
+9.306384E+00
+4.348594E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -224,14 +224,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-9.532822E+00
-4.559003E+00
-9.496684E+00
-4.522478E+00
-9.404949E+00
-4.446260E+00
-8.550930E+00
-3.668401E+00
+9.306384E+00
+4.348594E+00
+9.232858E+00
+4.278432E+00
+9.299764E+00
+4.347828E+00
+8.511976E+00
+3.639893E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -248,14 +248,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-8.550930E+00
-3.668401E+00
-9.404949E+00
-4.446260E+00
-8.785273E+00
-3.874792E+00
-7.128863E+00
-2.554326E+00
+8.511976E+00
+3.639893E+00
+9.299764E+00
+4.347828E+00
+8.726086E+00
+3.819567E+00
+7.147277E+00
+2.562747E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -272,14 +272,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-7.128863E+00
-2.554326E+00
-8.785273E+00
-3.874792E+00
-7.408549E+00
-2.755885E+00
-5.094992E+00
-1.305737E+00
+7.147277E+00
+2.562747E+00
+8.726086E+00
+3.819567E+00
+7.218790E+00
+2.612243E+00
+5.018287E+00
+1.263077E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -296,14 +296,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-5.094992E+00
-1.305737E+00
-7.408549E+00
-2.755885E+00
-5.532149E+00
-1.537289E+00
-2.812344E+00
-3.997146E-01
+5.018287E+00
+1.263077E+00
+7.218790E+00
+2.612243E+00
+5.443494E+00
+1.487018E+00
+2.732334E+00
+3.773047E-01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -320,12 +320,12 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-2.812344E+00
-3.997146E-01
-5.532149E+00
-1.537289E+00
-3.063251E+00
-4.728672E-01
+2.732334E+00
+3.773047E-01
+5.443494E+00
+1.487018E+00
+3.044773E+00
+4.655756E-01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -345,144 +345,144 @@ tally 4:
 0.000000E+00
 0.000000E+00
 tally 5:
-1.496000E+01
-1.127586E+01
-2.280081E+00
-2.675609E-01
-2.774503E+01
-3.876011E+01
-3.908836E+00
-7.703029E-01
-3.848706E+01
-7.449836E+01
-5.299924E+00
-1.422782E+00
-4.723172E+01
-1.119459E+02
-6.450156E+00
-2.105590E+00
-5.095931E+01
-1.303132E+02
-7.050681E+00
-2.515092E+00
-5.133412E+01
-1.322694E+02
-6.853429E+00
-2.384127E+00
-4.754621E+01
-1.136848E+02
-6.370026E+00
-2.058896E+00
-3.886829E+01
-7.591042E+01
-5.266816E+00
-1.400495E+00
-2.910277E+01
-4.253981E+01
-4.090844E+00
-8.442500E-01
-1.556949E+01
-1.221526E+01
-2.266123E+00
-2.641551E-01
+1.609029E+01
+1.306718E+01
+2.230601E+00
+2.559496E-01
+2.876780E+01
+4.148686E+01
+3.835952E+00
+7.456562E-01
+3.895738E+01
+7.625344E+01
+4.841024E+00
+1.197335E+00
+4.633595E+01
+1.079043E+02
+6.236821E+00
+1.963311E+00
+5.007472E+01
+1.258967E+02
+6.749745E+00
+2.297130E+00
+5.058336E+01
+1.285894E+02
+6.727612E+00
+2.315656E+00
+4.743869E+01
+1.130735E+02
+6.338193E+00
+2.042159E+00
+3.899838E+01
+7.631289E+01
+5.187573E+00
+1.359733E+00
+2.873434E+01
+4.144233E+01
+3.815610E+00
+7.367619E-01
+1.509020E+01
+1.145268E+01
+2.125767E+00
+2.341894E-01
 cmfd indices
 1.000000E+01
 1.000000E+00
 1.000000E+00
 1.000000E+00
 k cmfd
-1.161531E+00
-1.182724E+00
-1.169653E+00
-1.164722E+00
-1.164583E+00
-1.162952E+00
-1.167024E+00
-1.164509E+00
-1.165693E+00
-1.170623E+00
-1.166618E+00
-1.170805E+00
-1.170962E+00
-1.170964E+00
-1.168224E+00
-1.169864E+00
+1.129918E+00
+1.143848E+00
+1.147976E+00
+1.151534E+00
+1.152378E+00
+1.148219E+00
+1.150402E+00
+1.154647E+00
+1.156159E+00
+1.160048E+00
+1.167441E+00
+1.168163E+00
+1.168629E+00
+1.164120E+00
+1.165051E+00
+1.169177E+00
 cmfd entropy
-3.206619E+00
-3.205815E+00
-3.208678E+00
-3.210820E+00
-3.217023E+00
-3.215014E+00
-3.214592E+00
-3.215913E+00
-3.214998E+00
-3.213644E+00
-3.210755E+00
-3.210496E+00
-3.212488E+00
-3.211553E+00
-3.212999E+00
-3.214052E+00
+3.224769E+00
+3.225945E+00
+3.227421E+00
+3.226174E+00
+3.224429E+00
+3.227049E+00
+3.230710E+00
+3.230315E+00
+3.226825E+00
+3.226655E+00
+3.226588E+00
+3.224155E+00
+3.223246E+00
+3.222640E+00
+3.223920E+00
+3.222838E+00
 cmfd balance
-4.99833E-03
-5.64677E-03
-3.62795E-03
-3.91962E-03
-3.87172E-03
-2.48450E-03
-3.15554E-03
-2.49335E-03
-2.31973E-03
-2.19156E-03
-2.31352E-03
-2.03401E-03
-1.80242E-03
-1.65868E-03
-1.47543E-03
-1.49706E-03
+3.90454E-03
+4.08089E-03
+3.46511E-03
+4.09535E-03
+2.62009E-03
+2.23559E-03
+2.54033E-03
+2.12799E-03
+2.25864E-03
+1.85766E-03
+1.49916E-03
+1.63471E-03
+1.48377E-03
+1.59800E-03
+1.37354E-03
+1.32853E-03
 cmfd dominance ratio
-5.283E-01
-5.289E-01
-5.305E-01
-5.327E-01
-5.377E-01
-5.360E-01
-5.353E-01
-4.983E-01
-5.379E-01
-5.370E-01
-5.359E-01
-5.349E-01
-5.364E-01
-5.347E-01
-5.360E-01
-5.378E-01
+5.539E-01
+5.537E-01
+5.536E-01
+5.515E-01
+5.512E-01
+5.514E-01
+5.518E-01
+5.507E-01
+5.500E-01
+5.497E-01
+5.477E-01
+5.461E-01
+5.444E-01
+5.445E-01
+5.454E-01
+5.441E-01
 cmfd openmc source comparison
-1.291827E-02
-1.027137E-02
-8.738370E-03
-6.854409E-03
-4.188357E-03
-4.941359E-03
-5.139239E-03
-4.244784E-03
-4.240559E-03
-3.375424E-03
-3.716858E-03
-3.595700E-03
-3.626952E-03
-3.999302E-03
-2.431760E-03
-1.673200E-03
+9.875240E-03
+1.106163E-02
+9.847628E-03
+6.065921E-03
+5.772039E-03
+4.615656E-03
+4.244331E-03
+3.694299E-03
+3.545814E-03
+3.213063E-03
+3.467537E-03
+3.383489E-03
+3.697591E-03
+3.937358E-03
+3.369124E-03
+3.190359E-03
 cmfd source
-4.185460E-02
-7.636314E-02
-1.075536E-01
-1.307167E-01
-1.400879E-01
-1.459944E-01
-1.297413E-01
-1.084649E-01
-7.772031E-02
-4.150306E-02
+4.360494E-02
+8.397599E-02
+1.074181E-01
+1.294531E-01
+1.385611E-01
+1.407934E-01
+1.325191E-01
+1.044311E-01
+7.660359E-02
+4.263941E-02
diff --git a/tests/regression_tests/complex_cell/results_true.dat b/tests/regression_tests/complex_cell/results_true.dat
index 927a7a519..3ce3d7cbc 100644
--- a/tests/regression_tests/complex_cell/results_true.dat
+++ b/tests/regression_tests/complex_cell/results_true.dat
@@ -1,11 +1,11 @@
 k-combined:
-2.490321E-01 1.083676E-03
+2.564169E-01 4.095378E-03
 tally 1:
-2.617769E+00
-1.371478E+00
-2.716496E+00
-1.476169E+00
-1.005297E+00
-2.026100E-01
-1.075286E-01
-2.316593E-03
+2.607144E+00
+1.360414E+00
+2.681079E+00
+1.439354E+00
+9.627534E-01
+1.855496E-01
+1.123751E-01
+2.530233E-03
diff --git a/tests/regression_tests/confidence_intervals/results_true.dat b/tests/regression_tests/confidence_intervals/results_true.dat
index cb6c6f00a..6a906d07e 100644
--- a/tests/regression_tests/confidence_intervals/results_true.dat
+++ b/tests/regression_tests/confidence_intervals/results_true.dat
@@ -1,5 +1,5 @@
 k-combined:
-2.679617E-01 1.158917E-02
+2.759923E-01 6.988588E-03
 tally 1:
-6.693704E+01
-5.643483E+02
+6.167984E+01
+4.772717E+02
diff --git a/tests/regression_tests/dagmc/external/results_true.dat b/tests/regression_tests/dagmc/external/results_true.dat
index e5127c827..cda656937 100644
--- a/tests/regression_tests/dagmc/external/results_true.dat
+++ b/tests/regression_tests/dagmc/external/results_true.dat
@@ -1,5 +1,5 @@
 k-combined:
-8.426936E-01 5.715847E-02
+9.118190E-01 3.615552E-02
 tally 1:
-8.093843E+00
-1.328829E+01
+8.430103E+00
+1.442878E+01
diff --git a/tests/regression_tests/dagmc/legacy/results_true.dat b/tests/regression_tests/dagmc/legacy/results_true.dat
index e5127c827..cda656937 100644
--- a/tests/regression_tests/dagmc/legacy/results_true.dat
+++ b/tests/regression_tests/dagmc/legacy/results_true.dat
@@ -1,5 +1,5 @@
 k-combined:
-8.426936E-01 5.715847E-02
+9.118190E-01 3.615552E-02
 tally 1:
-8.093843E+00
-1.328829E+01
+8.430103E+00
+1.442878E+01
diff --git a/tests/regression_tests/dagmc/refl/results_true.dat b/tests/regression_tests/dagmc/refl/results_true.dat
index bd1169835..533c62a90 100644
--- a/tests/regression_tests/dagmc/refl/results_true.dat
+++ b/tests/regression_tests/dagmc/refl/results_true.dat
@@ -1,5 +1,5 @@
 k-combined:
-2.130286E+00 2.412252E-02
+2.035173E+00 3.967029E-02
 tally 1:
-1.177815E+01
-2.806871E+01
+1.064492E+01
+2.301019E+01
diff --git a/tests/regression_tests/dagmc/universes/results_true.dat b/tests/regression_tests/dagmc/universes/results_true.dat
index 0dc1789d4..f7bd016c1 100644
--- a/tests/regression_tests/dagmc/universes/results_true.dat
+++ b/tests/regression_tests/dagmc/universes/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-9.436168E-01 2.905559E-02
+9.156561E-01 4.398617E-02
diff --git a/tests/regression_tests/density/results_true.dat b/tests/regression_tests/density/results_true.dat
index 17d0730df..c8e3b1ede 100644
--- a/tests/regression_tests/density/results_true.dat
+++ b/tests/regression_tests/density/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-1.097336E+00 2.305434E-02
+1.110057E+00 1.303260E-02
diff --git a/tests/regression_tests/deplete_with_transport/last_step_reference_materials.xml b/tests/regression_tests/deplete_with_transport/last_step_reference_materials.xml
index b81856683..d38e8f96f 100644
--- a/tests/regression_tests/deplete_with_transport/last_step_reference_materials.xml
+++ b/tests/regression_tests/deplete_with_transport/last_step_reference_materials.xml
@@ -4,1001 +4,1001 @@
     <density units="sum" />
     <nuclide ao="0.046295399999999994" name="O16" />
     <nuclide ao="0.00011276839999999999" name="O17" />
-    <nuclide ao="4.62489782739765e-07" name="Cs135" />
-    <nuclide ao="8.513845108222934e-09" name="Gd156" />
-    <nuclide ao="3.6422790646859405e-10" name="Gd157" />
-    <nuclide ao="1.2506256160444458e-08" name="I135" />
-    <nuclide ao="1.0044833338996991e-05" name="U234" />
-    <nuclide ao="0.0010135760878333647" name="U235" />
-    <nuclide ao="0.022134354214267578" name="U238" />
-    <nuclide ao="6.021515908249729e-09" name="Xe135" />
-    <nuclide ao="1.8945262713301022e-06" name="Xe136" />
+    <nuclide ao="4.418048979824424e-07" name="Cs135" />
+    <nuclide ao="7.25497932072497e-09" name="Gd156" />
+    <nuclide ao="4.6150717323028846e-10" name="Gd157" />
+    <nuclide ao="8.610759132296853e-09" name="I135" />
+    <nuclide ao="1.0044759509631791e-05" name="U234" />
+    <nuclide ao="0.0010213199681434208" name="U235" />
+    <nuclide ao="0.022134492490418312" name="U238" />
+    <nuclide ao="4.8988835309280406e-09" name="Xe135" />
+    <nuclide ao="1.5016036273208697e-06" name="Xe136" />
   </material>
   <material depletable="true" id="2" temperature="293.6" volume="0.06674732823364922">
     <density units="sum" />
     <nuclide ao="0.046295399999999994" name="O16" />
     <nuclide ao="0.00011276839999999999" name="O17" />
-    <nuclide ao="4.1317192551597164e-07" name="Cs135" />
-    <nuclide ao="7.1951197683939435e-09" name="Gd156" />
-    <nuclide ao="4.554662978016352e-10" name="Gd157" />
-    <nuclide ao="9.143600937356816e-09" name="I135" />
-    <nuclide ao="1.004460107410099e-05" name="U234" />
-    <nuclide ao="0.0010219836045364463" name="U235" />
-    <nuclide ao="0.022134432003405754" name="U238" />
-    <nuclide ao="4.881875416775785e-09" name="Xe135" />
-    <nuclide ao="1.4950302645958752e-06" name="Xe136" />
+    <nuclide ao="4.7109992148358017e-07" name="Cs135" />
+    <nuclide ao="7.042063886012849e-09" name="Gd156" />
+    <nuclide ao="6.027071902372695e-10" name="Gd157" />
+    <nuclide ao="7.95412959144086e-09" name="I135" />
+    <nuclide ao="1.0044351820092838e-05" name="U234" />
+    <nuclide ao="0.001024086327318598" name="U235" />
+    <nuclide ao="0.0221342327478446" name="U238" />
+    <nuclide ao="4.9730371223377224e-09" name="Xe135" />
+    <nuclide ao="1.3283930207935904e-06" name="Xe136" />
   </material>
   <material depletable="true" id="3" temperature="293.6" volume="0.06674732823364922">
     <density units="sum" />
     <nuclide ao="0.046295399999999994" name="O16" />
     <nuclide ao="0.00011276839999999999" name="O17" />
-    <nuclide ao="4.4233023267926427e-07" name="Cs135" />
-    <nuclide ao="7.650057506928347e-09" name="Gd156" />
-    <nuclide ao="4.381381122619264e-10" name="Gd157" />
-    <nuclide ao="1.1144702868821656e-08" name="I135" />
-    <nuclide ao="1.0044728829940631e-05" name="U234" />
-    <nuclide ao="0.0010193377809846768" name="U235" />
-    <nuclide ao="0.022134335403001696" name="U238" />
-    <nuclide ao="5.174637175809274e-09" name="Xe135" />
-    <nuclide ao="1.6074048322782988e-06" name="Xe136" />
+    <nuclide ao="4.519688238646543e-07" name="Cs135" />
+    <nuclide ao="7.390520655992046e-09" name="Gd156" />
+    <nuclide ao="6.113962449652282e-10" name="Gd157" />
+    <nuclide ao="7.33942627716833e-09" name="I135" />
+    <nuclide ao="1.0044458911828105e-05" name="U234" />
+    <nuclide ao="0.0010213846057514214" name="U235" />
+    <nuclide ao="0.022134283218172325" name="U238" />
+    <nuclide ao="5.052047258832601e-09" name="Xe135" />
+    <nuclide ao="1.4925022858546866e-06" name="Xe136" />
   </material>
   <material depletable="true" id="4" temperature="293.6" volume="0.06674732823364922">
     <density units="sum" />
     <nuclide ao="0.046295399999999994" name="O16" />
     <nuclide ao="0.00011276839999999999" name="O17" />
-    <nuclide ao="4.542189401531697e-07" name="Cs135" />
-    <nuclide ao="7.626788139129838e-09" name="Gd156" />
-    <nuclide ao="4.554036803723083e-10" name="Gd157" />
-    <nuclide ao="8.895917147950857e-09" name="I135" />
-    <nuclide ao="1.0044742882017663e-05" name="U234" />
-    <nuclide ao="0.0010195876256423235" name="U235" />
-    <nuclide ao="0.022134338074593186" name="U238" />
-    <nuclide ao="5.204386319535494e-09" name="Xe135" />
-    <nuclide ao="1.584256968309388e-06" name="Xe136" />
+    <nuclide ao="4.6103855622977077e-07" name="Cs135" />
+    <nuclide ao="7.2542350965307454e-09" name="Gd156" />
+    <nuclide ao="4.694384498726491e-10" name="Gd157" />
+    <nuclide ao="8.999632513597842e-09" name="I135" />
+    <nuclide ao="1.0044557857513163e-05" name="U234" />
+    <nuclide ao="0.0010213889405602502" name="U235" />
+    <nuclide ao="0.022134477440113057" name="U238" />
+    <nuclide ao="5.198618333967504e-09" name="Xe135" />
+    <nuclide ao="1.4782292624287545e-06" name="Xe136" />
   </material>
   <material depletable="true" id="5" temperature="293.6" volume="0.06674732823364922">
     <density units="sum" />
     <nuclide ao="0.0464035" name="O16" />
-    <nuclide ao="4.2096758498059444e-07" name="Cs135" />
-    <nuclide ao="4.09956759199187e-09" name="Gd156" />
-    <nuclide ao="6.727966644003748e-05" name="Gd157" />
-    <nuclide ao="4.066400685536862e-09" name="I135" />
-    <nuclide ao="9.994777009822781e-22" name="U234" />
-    <nuclide ao="0.001020680539756473" name="U235" />
-    <nuclide ao="0.02169185104259157" name="U238" />
-    <nuclide ao="4.953957753020382e-09" name="Xe135" />
-    <nuclide ao="4.2224989343743e-07" name="Xe136" />
+    <nuclide ao="4.606890661382998e-07" name="Cs135" />
+    <nuclide ao="4.453011839512314e-09" name="Gd156" />
+    <nuclide ao="6.452882105106179e-05" name="Gd157" />
+    <nuclide ao="5.350905357185787e-09" name="I135" />
+    <nuclide ao="9.99407627854616e-22" name="U234" />
+    <nuclide ao="0.0010186933910475504" name="U235" />
+    <nuclide ao="0.021691769738241762" name="U238" />
+    <nuclide ao="6.032753974421699e-09" name="Xe135" />
+    <nuclide ao="4.883342566123616e-07" name="Xe136" />
   </material>
   <material depletable="true" id="6" temperature="293.6" volume="0.06674732823364922">
     <density units="sum" />
     <nuclide ao="0.046295399999999994" name="O16" />
     <nuclide ao="0.00011276839999999999" name="O17" />
-    <nuclide ao="4.3856345758280014e-07" name="Cs135" />
-    <nuclide ao="7.76740997033046e-09" name="Gd156" />
-    <nuclide ao="4.620704098411604e-10" name="Gd157" />
-    <nuclide ao="9.291937436449801e-09" name="I135" />
-    <nuclide ao="1.0045052172260698e-05" name="U234" />
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-    <nuclide ao="5.070841178646676e-09" name="Xe135" />
-    <nuclide ao="1.668376743604047e-06" name="Xe136" />
+    <nuclide ao="4.5448917833325217e-07" name="Cs135" />
+    <nuclide ao="7.987183366220764e-09" name="Gd156" />
+    <nuclide ao="4.865379811569636e-10" name="Gd157" />
+    <nuclide ao="8.523326230817669e-09" name="I135" />
+    <nuclide ao="1.0044496776626355e-05" name="U234" />
+    <nuclide ao="0.001017579906635896" name="U235" />
+    <nuclide ao="0.022134265683938482" name="U238" />
+    <nuclide ao="4.869820762518204e-09" name="Xe135" />
+    <nuclide ao="1.6938385668838631e-06" name="Xe136" />
   </material>
   <material depletable="true" id="7" temperature="293.6" volume="0.06674732823364922">
     <density units="sum" />
     <nuclide ao="0.046295399999999994" name="O16" />
     <nuclide ao="0.00011276839999999999" name="O17" />
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-    <nuclide ao="5.1443277189302275e-09" name="Xe135" />
-    <nuclide ao="1.5202410851946595e-06" name="Xe136" />
+    <nuclide ao="4.365851592857002e-07" name="Cs135" />
+    <nuclide ao="7.885461636096879e-09" name="Gd156" />
+    <nuclide ao="3.606387104885962e-10" name="Gd157" />
+    <nuclide ao="1.1369672407585595e-08" name="I135" />
+    <nuclide ao="1.0044357533457873e-05" name="U234" />
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+    <nuclide ao="0.022134386603591637" name="U238" />
+    <nuclide ao="5.3728946681073756e-09" name="Xe135" />
+    <nuclide ao="1.7038388307541218e-06" name="Xe136" />
   </material>
   <material depletable="true" id="8" temperature="293.6" volume="0.06674732823364922">
     <density units="sum" />
     <nuclide ao="0.046295399999999994" name="O16" />
     <nuclide ao="0.00011276839999999999" name="O17" />
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-    <nuclide ao="5.0634492814917524e-09" name="Xe135" />
-    <nuclide ao="1.4482994979866368e-06" name="Xe136" />
+    <nuclide ao="4.5625540277027385e-07" name="Cs135" />
+    <nuclide ao="7.771490175889865e-09" name="Gd156" />
+    <nuclide ao="4.146823035582645e-10" name="Gd157" />
+    <nuclide ao="9.209488361778163e-09" name="I135" />
+    <nuclide ao="1.0044402337267959e-05" name="U234" />
+    <nuclide ao="0.0010186458655779957" name="U235" />
+    <nuclide ao="0.02213433904931746" name="U238" />
+    <nuclide ao="5.497659471352132e-09" name="Xe135" />
+    <nuclide ao="1.6322553904837763e-06" name="Xe136" />
   </material>
   <material depletable="true" id="9" temperature="293.6" volume="0.06674732823364922">
     <density units="sum" />
     <nuclide ao="0.046295399999999994" name="O16" />
     <nuclide ao="0.00011276839999999999" name="O17" />
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-    <nuclide ao="5.275528010760839e-09" name="Xe135" />
-    <nuclide ao="1.596587382150181e-06" name="Xe136" />
+    <nuclide ao="4.484904722890753e-07" name="Cs135" />
+    <nuclide ao="7.0469830796840196e-09" name="Gd156" />
+    <nuclide ao="4.957093623825932e-10" name="Gd157" />
+    <nuclide ao="1.028391148740737e-08" name="I135" />
+    <nuclide ao="1.0044263707901807e-05" name="U234" />
+    <nuclide ao="0.0010240145184318148" name="U235" />
+    <nuclide ao="0.022134243871098407" name="U238" />
+    <nuclide ao="5.102740935827761e-09" name="Xe135" />
+    <nuclide ao="1.3522284041351177e-06" name="Xe136" />
   </material>
   <material depletable="true" id="10" temperature="293.6" volume="0.06674732823364922">
     <density units="sum" />
     <nuclide ao="0.046295399999999994" name="O16" />
     <nuclide ao="0.00011276839999999999" name="O17" />
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-    <nuclide ao="5.53059630716541e-09" name="Xe135" />
-    <nuclide ao="1.5357161329193738e-06" name="Xe136" />
+    <nuclide ao="4.5464933085449977e-07" name="Cs135" />
+    <nuclide ao="8.140359772958148e-09" name="Gd156" />
+    <nuclide ao="5.697645609968091e-10" name="Gd157" />
+    <nuclide ao="7.546283008483177e-09" name="I135" />
+    <nuclide ao="1.0044621491327945e-05" name="U234" />
+    <nuclide ao="0.0010168499066684708" name="U235" />
+    <nuclide ao="0.022134202939750873" name="U238" />
+    <nuclide ao="5.110958358170558e-09" name="Xe135" />
+    <nuclide ao="1.7346785904970471e-06" name="Xe136" />
   </material>
   <material depletable="true" id="11" temperature="293.6" volume="0.06674732823364922">
     <density units="sum" />
     <nuclide ao="0.046295399999999994" name="O16" />
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-    <nuclide ao="4.493995007417953e-09" name="Xe135" />
-    <nuclide ao="1.4836002218798116e-06" name="Xe136" />
+    <nuclide ao="4.35632809214313e-07" name="Cs135" />
+    <nuclide ao="7.482536566368326e-09" name="Gd156" />
+    <nuclide ao="4.256220743973794e-10" name="Gd157" />
+    <nuclide ao="9.63388948617791e-09" name="I135" />
+    <nuclide ao="1.0044260492865682e-05" name="U234" />
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+    <nuclide ao="1.4987118060021686e-06" name="Xe136" />
   </material>
   <material depletable="true" id="12" temperature="293.6" volume="0.06674732823364922">
     <density units="sum" />
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diff --git a/tests/regression_tests/deplete_with_transport/test_reference.h5 b/tests/regression_tests/deplete_with_transport/test_reference.h5
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diff --git a/tests/regression_tests/diff_tally/results_true.dat b/tests/regression_tests/diff_tally/results_true.dat
index 12157932f..14729c821 100644
--- a/tests/regression_tests/diff_tally/results_true.dat
+++ b/tests/regression_tests/diff_tally/results_true.dat
@@ -1,27 +1,27 @@
 d_material,d_nuclide,d_variable,score,mean,std. dev.
-3,,density,flux,-8.9862333e+00,2.7508460e+00
-3,,density,flux,-1.9778752e+01,3.5926341e+00
-1,,density,flux,-2.6861000e-01,3.8449483e-02
-1,,density,flux,-3.7643515e-01,1.8991066e-01
-1,O16,nuclide_density,flux,-2.5795663e+00,1.6620453e+01
-1,O16,nuclide_density,flux,7.2861106e+00,1.5941849e+01
-1,U235,nuclide_density,flux,-2.2849358e+03,3.9506163e+02
-1,U235,nuclide_density,flux,-2.7845978e+03,5.6693457e+02
-1,,temperature,flux,-1.8666344e-04,1.1088646e-04
-1,,temperature,flux,9.2264971e-05,8.7268407e-05
-3,,density,total,-4.1447663e+00,1.1453915e+00
-3,,density,absorption,-6.0174688e-01,1.0525787e-01
-3,,density,scatter,-3.5430194e+00,1.0499557e+00
-3,,density,fission,-2.8547461e-01,6.7402688e-02
-3,,density,nu-fission,-6.9988357e-01,1.6360007e-01
-3,,density,total,-3.7715161e-01,1.0166405e-01
-3,,density,absorption,-3.3327322e-01,8.9912373e-02
-3,,density,scatter,-4.3878393e-02,1.3801869e-02
-3,,density,fission,-2.7256167e-01,7.1483193e-02
-3,,density,nu-fission,-6.6439453e-01,1.7417261e-01
-3,,density,total,-2.3838461e+00,4.2331432e+00
-3,,density,absorption,-5.7877951e-02,5.3522562e-02
-3,,density,scatter,-2.3259682e+00,4.1799423e+00
+3,,density,flux,-8.7368155e+00,1.5577812e+00
+3,,density,flux,-1.4842625e+01,2.2947682e+00
+1,,density,flux,-2.0922686e-01,4.9935069e-02
+1,,density,flux,-3.4582490e-01,1.7454386e-01
+1,O16,nuclide_density,flux,1.1301782e+01,2.2440389e+01
+1,O16,nuclide_density,flux,3.2481563e+00,3.2342885e+01
+1,U235,nuclide_density,flux,-1.5048665e+03,5.9045681e+02
+1,U235,nuclide_density,flux,-1.6193231e+03,9.7230073e+02
+1,,temperature,flux,-1.0891931e-04,2.3076849e-04
+1,,temperature,flux,-1.3563853e-04,2.0952841e-04
+3,,density,total,-3.9155374e+00,5.4862771e-01
+3,,density,absorption,-4.9210534e-01,3.4700776e-02
+3,,density,scatter,-3.4234320e+00,5.1443821e-01
+3,,density,fission,-3.1088949e-01,8.0540906e-02
+3,,density,nu-fission,-7.6137447e-01,1.9548876e-01
+3,,density,total,-3.8615156e-01,1.0175701e-01
+3,,density,absorption,-3.4458071e-01,9.3381192e-02
+3,,density,scatter,-4.1570854e-02,8.6942039e-03
+3,,density,fission,-2.9864832e-01,8.4711885e-02
+3,,density,nu-fission,-7.2797006e-01,2.0640455e-01
+3,,density,total,1.0491251e+01,9.1787723e+00
+3,,density,absorption,2.9819000e-01,3.0887165e-01
+3,,density,scatter,1.0193061e+01,8.8715930e+00
 3,,density,fission,0.0000000e+00,0.0000000e+00
 3,,density,nu-fission,0.0000000e+00,0.0000000e+00
 3,,density,total,0.0000000e+00,0.0000000e+00
@@ -29,19 +29,19 @@ d_material,d_nuclide,d_variable,score,mean,std. dev.
 3,,density,scatter,0.0000000e+00,0.0000000e+00
 3,,density,fission,0.0000000e+00,0.0000000e+00
 3,,density,nu-fission,0.0000000e+00,0.0000000e+00
-1,,density,total,4.0520294e-01,3.3719992e-02
-1,,density,absorption,1.3915754e-02,1.3515385e-02
-1,,density,scatter,3.9128718e-01,2.2403876e-02
-1,,density,fission,2.4781454e-04,1.0189025e-02
-1,,density,nu-fission,1.2555927e-03,2.4804599e-02
-1,,density,total,5.1306892e-03,1.1784483e-02
-1,,density,absorption,6.1064429e-04,1.1572255e-02
-1,,density,scatter,4.5200449e-03,3.2228853e-04
-1,,density,fission,-1.5830325e-03,1.0334068e-02
-1,,density,nu-fission,-3.8226434e-03,2.5181192e-02
-1,,density,total,-6.6601129e-01,2.0465955e-01
-1,,density,absorption,-1.5334818e-02,4.0664980e-03
-1,,density,scatter,-6.5067647e-01,2.0153765e-01
+1,,density,total,4.7128871e-01,5.7197095e-02
+1,,density,absorption,2.1981833e-02,1.7427232e-02
+1,,density,scatter,4.4930687e-01,4.0030120e-02
+1,,density,fission,6.0712328e-03,1.3719512e-02
+1,,density,nu-fission,1.5474650e-02,3.3437103e-02
+1,,density,total,1.2203418e-02,1.5798741e-02
+1,,density,absorption,7.0228085e-03,1.5294984e-02
+1,,density,scatter,5.1806097e-03,5.0807003e-04
+1,,density,fission,4.1074923e-03,1.3759608e-02
+1,,density,nu-fission,1.0046778e-02,3.3529881e-02
+1,,density,total,-5.2100220e-01,2.7618985e-01
+1,,density,absorption,-1.1039048e-02,6.2043549e-03
+1,,density,scatter,-5.0996315e-01,2.7027892e-01
 1,,density,fission,0.0000000e+00,0.0000000e+00
 1,,density,nu-fission,0.0000000e+00,0.0000000e+00
 1,,density,total,0.0000000e+00,0.0000000e+00
@@ -49,19 +49,19 @@ d_material,d_nuclide,d_variable,score,mean,std. dev.
 1,,density,scatter,0.0000000e+00,0.0000000e+00
 1,,density,fission,0.0000000e+00,0.0000000e+00
 1,,density,nu-fission,0.0000000e+00,0.0000000e+00
-1,O16,nuclide_density,total,4.3895711e+01,8.6765744e+00
-1,O16,nuclide_density,absorption,-7.3377277e-01,1.1652783e+00
-1,O16,nuclide_density,scatter,4.4629484e+01,7.5113743e+00
-1,O16,nuclide_density,fission,-1.0525946e+00,6.2358336e-01
-1,O16,nuclide_density,nu-fission,-2.5950001e+00,1.5266115e+00
-1,O16,nuclide_density,total,-1.0686783e+00,8.1661764e-01
-1,O16,nuclide_density,absorption,-1.0549848e+00,7.2501792e-01
-1,O16,nuclide_density,scatter,-1.3693500e-02,9.5152724e-02
-1,O16,nuclide_density,fission,-9.8026040e-01,6.2874064e-01
-1,O16,nuclide_density,nu-fission,-2.3899304e+00,1.5323042e+00
-1,O16,nuclide_density,total,4.3744802e+00,1.8346830e+01
-1,O16,nuclide_density,absorption,-7.6879459e-03,1.9447931e-01
-1,O16,nuclide_density,scatter,4.3821681e+00,1.8168908e+01
+1,O16,nuclide_density,total,5.5744608e+01,1.3811361e+01
+1,O16,nuclide_density,absorption,2.1284059e+00,3.3353171e+00
+1,O16,nuclide_density,scatter,5.3616202e+01,1.0494347e+01
+1,O16,nuclide_density,fission,6.6058671e-01,1.9263932e+00
+1,O16,nuclide_density,nu-fission,1.5973305e+00,4.6977280e+00
+1,O16,nuclide_density,total,9.8433784e-01,2.4053581e+00
+1,O16,nuclide_density,absorption,9.1167507e-01,2.2565683e+00
+1,O16,nuclide_density,scatter,7.2662768e-02,1.5198625e-01
+1,O16,nuclide_density,fission,6.8845700e-01,1.9451444e+00
+1,O16,nuclide_density,nu-fission,1.6768628e+00,4.7395897e+00
+1,O16,nuclide_density,total,8.1604245e+00,3.7248338e+01
+1,O16,nuclide_density,absorption,2.4903834e-01,4.5609671e-01
+1,O16,nuclide_density,scatter,7.9113862e+00,3.6811434e+01
 1,O16,nuclide_density,fission,0.0000000e+00,0.0000000e+00
 1,O16,nuclide_density,nu-fission,0.0000000e+00,0.0000000e+00
 1,O16,nuclide_density,total,0.0000000e+00,0.0000000e+00
@@ -69,19 +69,19 @@ d_material,d_nuclide,d_variable,score,mean,std. dev.
 1,O16,nuclide_density,scatter,0.0000000e+00,0.0000000e+00
 1,O16,nuclide_density,fission,0.0000000e+00,0.0000000e+00
 1,O16,nuclide_density,nu-fission,0.0000000e+00,0.0000000e+00
-1,U235,nuclide_density,total,-6.4251150e+02,2.3106826e+02
-1,U235,nuclide_density,absorption,1.5311660e+02,8.7788828e+01
-1,U235,nuclide_density,scatter,-7.9562811e+02,1.5432248e+02
-1,U235,nuclide_density,fission,2.3667219e+02,6.4506235e+01
-1,U235,nuclide_density,nu-fission,5.7770896e+02,1.5738708e+02
-1,U235,nuclide_density,total,4.1238071e+02,7.5208565e+01
-1,U235,nuclide_density,absorption,3.0507276e+02,7.3015316e+01
-1,U235,nuclide_density,scatter,1.0730795e+02,3.4182980e+00
-1,U235,nuclide_density,fission,2.3734641e+02,6.4221163e+01
-1,U235,nuclide_density,nu-fission,5.7953503e+02,1.5657365e+02
-1,U235,nuclide_density,total,-5.5174298e+03,1.1185254e+03
-1,U235,nuclide_density,absorption,-1.3416339e+02,3.2272881e+01
-1,U235,nuclide_density,scatter,-5.3832664e+03,1.0864829e+03
+1,U235,nuclide_density,total,-2.8654443e+02,3.3721470e+02
+1,U235,nuclide_density,absorption,2.0329180e+02,1.0522263e+02
+1,U235,nuclide_density,scatter,-4.8983623e+02,2.3237977e+02
+1,U235,nuclide_density,fission,2.6089045e+02,7.2578344e+01
+1,U235,nuclide_density,nu-fission,6.3692044e+02,1.7710877e+02
+1,U235,nuclide_density,total,4.5611633e+02,9.1682367e+01
+1,U235,nuclide_density,absorption,3.3831545e+02,8.5035501e+01
+1,U235,nuclide_density,scatter,1.1780088e+02,7.4128809e+00
+1,U235,nuclide_density,fission,2.6094461e+02,7.2102445e+01
+1,U235,nuclide_density,nu-fission,6.3705705e+02,1.7578950e+02
+1,U235,nuclide_density,total,-4.1342174e+03,1.4666097e+03
+1,U235,nuclide_density,absorption,-1.1329170e+02,3.5066579e+01
+1,U235,nuclide_density,scatter,-4.0209257e+03,1.4320401e+03
 1,U235,nuclide_density,fission,0.0000000e+00,0.0000000e+00
 1,U235,nuclide_density,nu-fission,0.0000000e+00,0.0000000e+00
 1,U235,nuclide_density,total,0.0000000e+00,0.0000000e+00
@@ -89,19 +89,19 @@ d_material,d_nuclide,d_variable,score,mean,std. dev.
 1,U235,nuclide_density,scatter,0.0000000e+00,0.0000000e+00
 1,U235,nuclide_density,fission,0.0000000e+00,0.0000000e+00
 1,U235,nuclide_density,nu-fission,0.0000000e+00,0.0000000e+00
-1,,temperature,total,3.0892324e-05,5.5277596e-05
-1,,temperature,absorption,2.2324596e-05,2.6209954e-05
-1,,temperature,scatter,8.5677277e-06,6.2111314e-05
-1,,temperature,fission,-1.7715856e-05,1.2803586e-05
-1,,temperature,nu-fission,-4.3163971e-05,3.1203107e-05
-1,,temperature,total,-2.3895766e-05,1.6226810e-05
-1,,temperature,absorption,-2.2388970e-05,1.6503185e-05
-1,,temperature,scatter,-1.5067967e-06,8.6753589e-07
-1,,temperature,fission,-1.7806576e-05,1.2760443e-05
-1,,temperature,nu-fission,-4.3390060e-05,3.1095620e-05
-1,,temperature,total,1.3388075e-04,1.1361483e-04
-1,,temperature,absorption,1.3825063e-06,1.3898795e-06
-1,,temperature,scatter,1.3249824e-04,1.1224449e-04
+1,,temperature,total,5.3733744e-05,1.1785516e-04
+1,,temperature,absorption,-1.3987780e-05,1.9819801e-05
+1,,temperature,scatter,6.7721524e-05,9.9934995e-05
+1,,temperature,fission,-1.4882696e-05,1.6930666e-05
+1,,temperature,nu-fission,-3.6272065e-05,4.1250892e-05
+1,,temperature,total,-1.8119796e-05,2.2651409e-05
+1,,temperature,absorption,-1.7632076e-05,2.1825006e-05
+1,,temperature,scatter,-4.8771972e-07,1.4270133e-06
+1,,temperature,fission,-1.4890811e-05,1.6935899e-05
+1,,temperature,nu-fission,-3.6292215e-05,4.1263951e-05
+1,,temperature,total,-2.0776498e-04,2.9286552e-04
+1,,temperature,absorption,-3.9068381e-06,3.4912438e-06
+1,,temperature,scatter,-2.0385814e-04,2.8941307e-04
 1,,temperature,fission,0.0000000e+00,0.0000000e+00
 1,,temperature,nu-fission,0.0000000e+00,0.0000000e+00
 1,,temperature,total,0.0000000e+00,0.0000000e+00
@@ -109,68 +109,68 @@ d_material,d_nuclide,d_variable,score,mean,std. dev.
 1,,temperature,scatter,0.0000000e+00,0.0000000e+00
 1,,temperature,fission,0.0000000e+00,0.0000000e+00
 1,,temperature,nu-fission,0.0000000e+00,0.0000000e+00
-3,,density,absorption,-4.3471777e-01,1.4851761e-01
-3,,density,absorption,4.8155520e-02,1.3781656e-01
-1,,density,absorption,9.4994508e-03,2.4533642e-03
-1,,density,absorption,-1.0306958e-02,3.9360517e-03
-1,O16,nuclide_density,absorption,-1.6745789e+00,6.7608522e-01
-1,O16,nuclide_density,absorption,1.2254539e+00,7.5421132e-01
-1,U235,nuclide_density,absorption,7.1093314e+01,1.0278274e+02
-1,U235,nuclide_density,absorption,-1.3158317e+02,1.0057325e+01
-1,,temperature,absorption,-2.8254564e-05,2.2125234e-05
-1,,temperature,absorption,1.3248119e-05,8.9856151e-06
+3,,density,absorption,-4.5579543e-01,5.5532252e-02
+3,,density,absorption,-1.3526251e-02,1.3917291e-01
+1,,density,absorption,3.8695654e-02,1.5823093e-02
+1,,density,absorption,-1.8171150e-02,1.2999773e-03
+1,O16,nuclide_density,absorption,2.0992238e+00,2.7230754e+00
+1,O16,nuclide_density,absorption,-6.8956953e-01,3.3064989e-01
+1,U235,nuclide_density,absorption,2.5000417e+02,7.3334295e+01
+1,U235,nuclide_density,absorption,-1.0832917e+02,1.1517513e+01
+1,,temperature,absorption,1.1819459e-05,4.2090670e-05
+1,,temperature,absorption,-7.2302974e-06,1.5200299e-05
 3,,density,nu-fission,0.0000000e+00,0.0000000e+00
-3,,density,scatter,-5.9591692e-01,1.8102644e-01
+3,,density,scatter,-7.6858714e-01,3.2467801e-01
 3,,density,nu-fission,0.0000000e+00,0.0000000e+00
-3,,density,scatter,-1.0186140e-04,6.5335918e-04
-3,,density,nu-fission,-7.7216010e-01,6.6235203e-02
-3,,density,scatter,-3.1141316e+00,8.7438594e-01
-3,,density,nu-fission,-7.4472975e-01,6.8932536e-02
-3,,density,scatter,-1.0613299e-02,1.4747505e-02
+3,,density,scatter,3.2513857e-04,3.2513857e-04
+3,,density,nu-fission,-6.4963717e-01,1.8008086e-01
+3,,density,scatter,-2.6911548e+00,2.6336008e-01
+3,,density,nu-fission,-6.3014524e-01,1.8056453e-01
+3,,density,scatter,-3.4247012e-02,2.2649385e-02
 3,,density,nu-fission,0.0000000e+00,0.0000000e+00
-3,,density,scatter,-2.3938461e+00,2.0442591e+00
+3,,density,scatter,1.0254549e+01,1.1054242e+01
 3,,density,nu-fission,0.0000000e+00,0.0000000e+00
 3,,density,scatter,0.0000000e+00,0.0000000e+00
 3,,density,nu-fission,0.0000000e+00,0.0000000e+00
-3,,density,scatter,-3.8155549e-02,2.1549075e+00
+3,,density,scatter,2.5022850e-01,2.1207285e+00
 3,,density,nu-fission,0.0000000e+00,0.0000000e+00
 3,,density,scatter,0.0000000e+00,0.0000000e+00
 1,,density,nu-fission,0.0000000e+00,0.0000000e+00
-1,,density,scatter,9.6114352e-03,3.0773624e-02
+1,,density,scatter,8.1153611e-03,3.1226564e-02
 1,,density,nu-fission,0.0000000e+00,0.0000000e+00
-1,,density,scatter,-4.8445916e-04,4.1692636e-04
-1,,density,nu-fission,-2.0032982e-02,1.5628598e-02
-1,,density,scatter,3.8609205e-01,2.0651677e-02
-1,,density,nu-fission,-2.4325475e-02,1.6087936e-02
-1,,density,scatter,2.1127093e-03,1.1144847e-03
+1,,density,scatter,2.3728497e-04,9.7166041e-04
+1,,density,nu-fission,2.6248459e-02,3.9328080e-02
+1,,density,scatter,4.2447769e-01,1.2580873e-02
+1,,density,nu-fission,1.9600074e-02,3.8118776e-02
+1,,density,scatter,8.0978391e-03,2.6585488e-03
 1,,density,nu-fission,0.0000000e+00,0.0000000e+00
-1,,density,scatter,-5.6312059e-01,1.2644279e-01
+1,,density,scatter,-3.8358302e-01,2.1525401e-01
 1,,density,nu-fission,0.0000000e+00,0.0000000e+00
 1,,density,scatter,0.0000000e+00,0.0000000e+00
 1,,density,nu-fission,0.0000000e+00,0.0000000e+00
-1,,density,scatter,-9.2583739e-02,1.3802271e-01
+1,,density,scatter,-1.1924803e-01,9.1254221e-02
 1,,density,nu-fission,0.0000000e+00,0.0000000e+00
 1,,density,scatter,0.0000000e+00,0.0000000e+00
 1,O16,nuclide_density,nu-fission,0.0000000e+00,0.0000000e+00
-1,O16,nuclide_density,scatter,2.8010197e-02,9.9675258e-02
-1,O16,nuclide_density,nu-fission,-2.7133439e+00,1.9638343e+00
-1,O16,nuclide_density,scatter,-5.8699167e-02,2.9596632e-01
+1,O16,nuclide_density,scatter,-1.6577061e-01,1.0793192e-01
+1,O16,nuclide_density,nu-fission,2.4995074e+00,5.7946039e+00
+1,O16,nuclide_density,scatter,5.5800956e-01,5.7675606e-01
 1,O16,nuclide_density,nu-fission,0.0000000e+00,0.0000000e+00
 1,O16,nuclide_density,scatter,0.0000000e+00,0.0000000e+00
 1,O16,nuclide_density,nu-fission,0.0000000e+00,0.0000000e+00
 1,O16,nuclide_density,scatter,0.0000000e+00,0.0000000e+00
 1,U235,nuclide_density,nu-fission,0.0000000e+00,0.0000000e+00
-1,U235,nuclide_density,scatter,1.0007013e+01,5.9794002e+00
-1,U235,nuclide_density,nu-fission,4.3209054e+02,1.5648214e+02
-1,U235,nuclide_density,scatter,4.6100250e+01,2.3766583e+01
+1,U235,nuclide_density,scatter,5.8641633e+00,2.9488422e+00
+1,U235,nuclide_density,nu-fission,6.7444160e+02,1.1308014e+02
+1,U235,nuclide_density,scatter,1.1592472e+02,2.8886339e+01
 1,U235,nuclide_density,nu-fission,0.0000000e+00,0.0000000e+00
 1,U235,nuclide_density,scatter,0.0000000e+00,0.0000000e+00
 1,U235,nuclide_density,nu-fission,0.0000000e+00,0.0000000e+00
 1,U235,nuclide_density,scatter,0.0000000e+00,0.0000000e+00
 1,,temperature,nu-fission,0.0000000e+00,0.0000000e+00
-1,,temperature,scatter,1.9350898e-06,2.0685006e-06
-1,,temperature,nu-fission,-6.5233572e-05,6.4075926e-05
-1,,temperature,scatter,-7.6629325e-07,7.6629325e-07
+1,,temperature,scatter,-7.7511866e-07,6.4761261e-07
+1,,temperature,nu-fission,-9.5466386e-05,3.1033330e-05
+1,,temperature,scatter,-2.7127084e-06,2.0699253e-07
 1,,temperature,nu-fission,0.0000000e+00,0.0000000e+00
 1,,temperature,scatter,0.0000000e+00,0.0000000e+00
 1,,temperature,nu-fission,0.0000000e+00,0.0000000e+00
diff --git a/tests/regression_tests/distribmat/results_true.dat b/tests/regression_tests/distribmat/results_true.dat
index a33cbec0f..4613434ce 100644
--- a/tests/regression_tests/distribmat/results_true.dat
+++ b/tests/regression_tests/distribmat/results_true.dat
@@ -1,5 +1,5 @@
 k-combined:
-1.234870E+00 1.724266E-02
+1.257344E+00 6.246360E-04
 Cell
 	ID             =	11
 	Name           =	
diff --git a/tests/regression_tests/eigenvalue_genperbatch/results_true.dat b/tests/regression_tests/eigenvalue_genperbatch/results_true.dat
index 91d1c393a..3f7ea801a 100644
--- a/tests/regression_tests/eigenvalue_genperbatch/results_true.dat
+++ b/tests/regression_tests/eigenvalue_genperbatch/results_true.dat
@@ -1,5 +1,5 @@
 k-combined:
-3.029569E-01 9.632511E-05
+3.037481E-01 1.247474E-04
 tally 1:
-3.226370E+01
-2.602467E+02
+3.211129E+01
+2.578396E+02
diff --git a/tests/regression_tests/eigenvalue_no_inactive/results_true.dat b/tests/regression_tests/eigenvalue_no_inactive/results_true.dat
index 80d463a3c..2b1021608 100644
--- a/tests/regression_tests/eigenvalue_no_inactive/results_true.dat
+++ b/tests/regression_tests/eigenvalue_no_inactive/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-3.066848E-01 7.260987E-03
+2.998284E-01 7.587782E-03
diff --git a/tests/regression_tests/energy_grid/results_true.dat b/tests/regression_tests/energy_grid/results_true.dat
index b06742c1b..deab1e28b 100644
--- a/tests/regression_tests/energy_grid/results_true.dat
+++ b/tests/regression_tests/energy_grid/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-3.317249E-01 1.079825E-02
+3.152586E-01 1.458068E-03
diff --git a/tests/regression_tests/entropy/results_true.dat b/tests/regression_tests/entropy/results_true.dat
index 864905fa7..1c8b2908b 100644
--- a/tests/regression_tests/entropy/results_true.dat
+++ b/tests/regression_tests/entropy/results_true.dat
@@ -1,13 +1,13 @@
 k-combined:
-2.987050E-01 1.827430E-03
+3.070134E-01 3.900396E-03
 entropy:
 7.688862E+00
-8.184416E+00
-8.363034E+00
-8.174200E+00
-8.243373E+00
-8.298547E+00
-8.267346E+00
-8.253347E+00
-8.329508E+00
-8.363320E+00
+8.237960E+00
+8.314772E+00
+8.285254E+00
+8.271486E+00
+8.291355E+00
+8.253349E+00
+8.336726E+00
+8.284741E+00
+8.328102E+00
diff --git a/tests/regression_tests/filter_cellinstance/results_true.dat b/tests/regression_tests/filter_cellinstance/results_true.dat
index c6832c6e1..079b7d3d2 100644
--- a/tests/regression_tests/filter_cellinstance/results_true.dat
+++ b/tests/regression_tests/filter_cellinstance/results_true.dat
@@ -1,84 +1,84 @@
 k-combined:
-1.045340E+00 4.712608E-02
+1.050139E+00 1.886614E-02
 tally 1:
-7.410456E-02
-1.481523E-03
-1.225401E-01
-3.736978E-03
-1.383468E-01
-4.249085E-03
-1.197994E-01
-3.155257E-03
-2.966893E-01
-2.045198E-02
-1.570258E-01
-5.313506E-03
-1.655546E-01
-6.093224E-03
-2.749756E-01
-1.582780E-02
-1.184686E-01
-3.543719E-03
-1.354860E-01
-3.990719E-03
-1.299309E-01
-3.988554E-03
-6.794395E-02
-1.135006E-03
-1.061333E+01
-2.508486E+01
-2.767786E+01
-1.781264E+02
-2.898957E+01
-2.015188E+02
-9.951936E+00
-2.345815E+01
-1.061333E+01
-2.508486E+01
-2.767786E+01
-1.781264E+02
-2.898957E+01
-2.015188E+02
-9.951936E+00
-2.345815E+01
+9.724996E-02
+2.784804E-03
+1.146976E-01
+3.173782E-03
+1.698297E-01
+6.569993E-03
+1.158802E-01
+2.959280E-03
+2.533354E-01
+1.539905E-02
+1.908717E-01
+8.360058E-03
+1.738899E-01
+6.713494E-03
+3.172247E-01
+2.124184E-02
+1.363012E-01
+4.653519E-03
+1.698720E-01
+6.753819E-03
+9.934671E-02
+2.371660E-03
+6.038075E-02
+1.204656E-03
+1.038793E+01
+2.590382E+01
+2.841397E+01
+1.865709E+02
+2.786916E+01
+1.923869E+02
+1.085149E+01
+2.907194E+01
+1.038793E+01
+2.590382E+01
+2.841397E+01
+1.865709E+02
+2.786916E+01
+1.923869E+02
+1.085149E+01
+2.907194E+01
 tally 2:
-9.951936E+00
-2.345815E+01
-2.898957E+01
-2.015188E+02
-2.767786E+01
-1.781264E+02
-1.061333E+01
-2.508486E+01
-9.951936E+00
-2.345815E+01
-2.898957E+01
-2.015188E+02
-2.767786E+01
-1.781264E+02
-1.061333E+01
-2.508486E+01
-6.794395E-02
-1.135006E-03
-1.299309E-01
-3.988554E-03
-1.354860E-01
-3.990719E-03
-1.184686E-01
-3.543719E-03
-2.749756E-01
-1.582780E-02
-1.655546E-01
-6.093224E-03
-1.570258E-01
-5.313506E-03
-2.966893E-01
-2.045198E-02
-1.197994E-01
-3.155257E-03
-1.383468E-01
-4.249085E-03
-1.225401E-01
-3.736978E-03
-7.410456E-02
-1.481523E-03
+1.085149E+01
+2.907194E+01
+2.786916E+01
+1.923869E+02
+2.841397E+01
+1.865709E+02
+1.038793E+01
+2.590382E+01
+1.085149E+01
+2.907194E+01
+2.786916E+01
+1.923869E+02
+2.841397E+01
+1.865709E+02
+1.038793E+01
+2.590382E+01
+6.038075E-02
+1.204656E-03
+9.934671E-02
+2.371660E-03
+1.698720E-01
+6.753819E-03
+1.363012E-01
+4.653519E-03
+3.172247E-01
+2.124184E-02
+1.738899E-01
+6.713494E-03
+1.908717E-01
+8.360058E-03
+2.533354E-01
+1.539905E-02
+1.158802E-01
+2.959280E-03
+1.698297E-01
+6.569993E-03
+1.146976E-01
+3.173782E-03
+9.724996E-02
+2.784804E-03
diff --git a/tests/regression_tests/filter_distribcell/case-3/results_true.dat b/tests/regression_tests/filter_distribcell/case-3/results_true.dat
index c12903fed..f30e858f0 100644
--- a/tests/regression_tests/filter_distribcell/case-3/results_true.dat
+++ b/tests/regression_tests/filter_distribcell/case-3/results_true.dat
@@ -1 +1 @@
-d3ecf354b33d09064f43816325f33ec1229d1258255ee8413e83f7ba96ca921b8f4be738c10af99c5376bfe2b6be45976595634efcafddec0d9296eb45ffed3e
\ No newline at end of file
+1d09084dc41305687d53d1e800fb3d0ac3949aa4e1cb0bfbb327d0ec1ad4b74fc97ee73da84b910529296b858aab9b8a5d0924d17ca2cc373625e1a9e197aa94
\ No newline at end of file
diff --git a/tests/regression_tests/filter_mesh/results_true.dat b/tests/regression_tests/filter_mesh/results_true.dat
index ef52af2c7..a91eadb35 100644
--- a/tests/regression_tests/filter_mesh/results_true.dat
+++ b/tests/regression_tests/filter_mesh/results_true.dat
@@ -1 +1 @@
-70243ebdb882e4367bf821667a9f4d41dea03eaf8b27d734e014a13e14922b5158cd47b0a7edf3733d4e23ca6a5ab06457220c9138b7e9720acf547f2eaa06e2
\ No newline at end of file
+bd55ee25094f9ad04fda4439f58ef0fed718632c88b9fde411a484dc624dedcd45dee643e14d8b107d8b92757737b8bb3d9a667de5482457d6d8346afffdf657
\ No newline at end of file
diff --git a/tests/regression_tests/filter_translations/results_true.dat b/tests/regression_tests/filter_translations/results_true.dat
index e5e620b97..d257d71a6 100644
--- a/tests/regression_tests/filter_translations/results_true.dat
+++ b/tests/regression_tests/filter_translations/results_true.dat
@@ -1,342 +1,342 @@
 k-combined:
-7.952381E-01 3.714273E-02
+2.298294E-01 3.256961E-01
 tally 1:
-5.340506E-02
-5.744901E-04
-8.160966E-02
-1.360702E-03
-5.306458E-02
-5.712302E-04
-1.263577E-01
-3.302526E-03
-3.858930E-01
-3.008104E-02
-1.511449E-01
-4.656419E-03
-1.279399E-01
-3.429368E-03
-3.676349E-01
-2.739091E-02
-1.410822E-01
-4.100718E-03
-5.379722E-02
-5.997669E-04
-8.933947E-02
-1.635151E-03
-5.212766E-02
-5.497167E-04
-7.332108E-02
-1.098591E-03
-1.040477E-01
-2.211291E-03
-5.326449E-02
-5.881665E-04
-1.952299E-01
-7.733668E-03
-5.683168E-01
-6.600345E-02
-1.866765E-01
-7.004663E-03
-2.262997E-01
-1.033597E-02
-6.280081E-01
-7.932045E-02
-1.861170E-01
-6.952815E-03
-7.317076E-02
-1.109977E-03
-1.145829E-01
-2.646373E-03
-6.567032E-02
-8.836880E-04
-6.614241E-02
-8.902720E-04
-1.083575E-01
-2.356190E-03
-6.479323E-02
-8.604886E-04
-2.202887E-01
-9.846484E-03
-9.405324E-01
-2.263338E-01
-1.993991E-01
-7.984693E-03
-2.310168E-01
-1.084962E-02
-9.617014E-01
-2.432501E-01
-2.127786E-01
-9.085201E-03
-7.772444E-02
-1.217267E-03
-1.170744E-01
-2.791253E-03
-7.480464E-02
-1.126824E-03
-6.321842E-02
-8.234272E-04
-1.002360E-01
-2.026069E-03
-6.532157E-02
-8.622865E-04
-1.934126E-01
-7.639724E-03
-5.583838E-01
-6.274792E-02
-1.914812E-01
-7.440011E-03
-1.808706E-01
-6.774850E-03
-6.259735E-01
-7.874410E-02
-1.959623E-01
-7.771208E-03
-6.301362E-02
-8.178688E-04
-1.062362E-01
-2.292485E-03
-5.916939E-02
-7.078944E-04
-5.265976E-02
-5.634399E-04
-6.747063E-02
-9.141711E-04
-4.478697E-02
-4.077583E-04
-1.277486E-01
-3.308655E-03
-3.585674E-01
-2.641571E-02
-1.192882E-01
-2.901276E-03
-1.457696E-01
-4.299462E-03
-3.467377E-01
-2.463831E-02
-1.305729E-01
-3.605534E-03
-5.067715E-02
-5.273379E-04
-7.374940E-02
-1.102912E-03
-5.226497E-02
-5.649644E-04
+4.880089E-02
+4.894233E-04
+8.221192E-02
+1.373712E-03
+5.205261E-02
+5.584673E-04
+1.272758E-01
+3.371623E-03
+3.599375E-01
+2.655645E-02
+1.377572E-01
+3.835778E-03
+1.646205E-01
+5.916595E-03
+3.806765E-01
+2.947576E-02
+1.470573E-01
+4.360385E-03
+5.568294E-02
+6.368003E-04
+6.775790E-02
+9.447074E-04
+5.580909E-02
+6.303584E-04
+6.674847E-02
+9.080853E-04
+9.747628E-02
+1.934325E-03
+6.824062E-02
+9.908844E-04
+1.891692E-01
+7.211874E-03
+5.976566E-01
+7.206211E-02
+1.805640E-01
+6.599680E-03
+2.114692E-01
+9.202185E-03
+6.514433E-01
+8.523087E-02
+1.905740E-01
+7.287607E-03
+7.633486E-02
+1.216488E-03
+1.117747E-01
+2.538705E-03
+7.438042E-02
+1.127109E-03
+7.356007E-02
+1.090617E-03
+1.161258E-01
+2.734941E-03
+6.745417E-02
+9.371031E-04
+2.153323E-01
+9.293477E-03
+9.414362E-01
+2.261845E-01
+2.016933E-01
+8.270477E-03
+2.370758E-01
+1.150628E-02
+9.973982E-01
+2.489516E-01
+2.152505E-01
+9.424546E-03
+7.502684E-02
+1.208304E-03
+1.244515E-01
+3.168682E-03
+7.515812E-02
+1.151397E-03
+6.355178E-02
+8.423316E-04
+1.040915E-01
+2.224064E-03
+6.902234E-02
+9.843766E-04
+1.978591E-01
+7.894161E-03
+5.162186E-01
+5.357742E-02
+1.897326E-01
+7.231935E-03
+1.827950E-01
+6.839560E-03
+5.780661E-01
+6.799910E-02
+1.881215E-01
+7.093746E-03
+6.083700E-02
+7.861240E-04
+9.978991E-02
+2.022733E-03
+6.004653E-02
+7.428556E-04
+4.951220E-02
+4.952385E-04
+7.401227E-02
+1.124154E-03
+5.151090E-02
+5.339359E-04
+1.356118E-01
+3.711749E-03
+3.400140E-01
+2.367518E-02
+1.385305E-01
+4.060592E-03
+1.438711E-01
+4.191824E-03
+3.276170E-01
+2.210924E-02
+1.279501E-01
+3.435254E-03
+4.852204E-02
+4.919417E-04
+7.229090E-02
+1.062894E-03
+4.344414E-02
+3.825354E-04
 tally 2:
-2.442367E-01
-1.209459E-02
-2.543262E-01
-1.314598E-02
-5.639744E-01
-6.449959E-02
-6.415410E-01
-8.269091E-02
-2.631124E-01
-1.406544E-02
-2.513955E-01
-1.285616E-02
-3.570608E-01
-2.559924E-02
-2.978502E-01
-1.787722E-02
-1.142500E+00
-2.799696E-01
-1.072656E+00
-2.465813E-01
-3.720711E-01
-2.776168E-02
-3.520288E-01
-2.482313E-02
-3.406093E-01
-2.332649E-02
-3.186893E-01
-2.046998E-02
-1.039053E+00
-2.337911E-01
-1.055863E+00
-2.442418E-01
-3.636093E-01
-2.679467E-02
-3.514845E-01
-2.481131E-02
-2.356811E-01
-1.112305E-02
-2.424590E-01
-1.205945E-02
-5.851380E-01
-6.974618E-02
-5.788717E-01
-6.882684E-02
-2.430058E-01
-1.205907E-02
-2.390704E-01
-1.167330E-02
+2.379877E-01
+1.141258E-02
+2.376600E-01
+1.137350E-02
+6.546514E-01
+8.852321E-02
+5.823862E-01
+6.810779E-02
+2.692631E-01
+1.479426E-02
+2.360469E-01
+1.124950E-02
+3.534788E-01
+2.528363E-02
+3.247931E-01
+2.160130E-02
+1.181513E+00
+2.959140E-01
+1.078874E+00
+2.467321E-01
+3.743375E-01
+2.859905E-02
+3.468123E-01
+2.427809E-02
+3.203903E-01
+2.109786E-02
+3.315547E-01
+2.216053E-02
+1.039077E+00
+2.294722E-01
+1.091786E+00
+2.572834E-01
+3.615960E-01
+2.678347E-02
+3.323317E-01
+2.226424E-02
+2.519726E-01
+1.279098E-02
+2.332385E-01
+1.101251E-02
+5.587247E-01
+6.293355E-02
+5.426859E-01
+6.010041E-02
+2.332981E-01
+1.097940E-02
+2.239951E-01
+1.043440E-02
 tally 3:
-5.340506E-02
-5.744901E-04
-8.160966E-02
-1.360702E-03
-5.306458E-02
-5.712302E-04
-1.263577E-01
-3.302526E-03
-3.858930E-01
-3.008104E-02
-1.511449E-01
-4.656419E-03
-1.279399E-01
-3.429368E-03
-3.676349E-01
-2.739091E-02
-1.410822E-01
-4.100718E-03
-5.379722E-02
-5.997669E-04
-8.933947E-02
-1.635151E-03
-5.212766E-02
-5.497167E-04
-7.332108E-02
-1.098591E-03
-1.040477E-01
-2.211291E-03
-5.326449E-02
-5.881665E-04
-1.952299E-01
-7.733668E-03
-5.683168E-01
-6.600345E-02
-1.866765E-01
-7.004663E-03
-2.262997E-01
-1.033597E-02
-6.280081E-01
-7.932045E-02
-1.861170E-01
-6.952815E-03
-7.317076E-02
-1.109977E-03
-1.145829E-01
-2.646373E-03
-6.567032E-02
-8.836880E-04
-6.614241E-02
-8.902720E-04
-1.083575E-01
-2.356190E-03
-6.479323E-02
-8.604886E-04
-2.202887E-01
-9.846484E-03
-9.405324E-01
-2.263338E-01
-1.993991E-01
-7.984693E-03
-2.310168E-01
-1.084962E-02
-9.617014E-01
-2.432501E-01
-2.127786E-01
-9.085201E-03
-7.772444E-02
-1.217267E-03
-1.170744E-01
-2.791253E-03
-7.480464E-02
-1.126824E-03
-6.321842E-02
-8.234272E-04
-1.002360E-01
-2.026069E-03
-6.532157E-02
-8.622865E-04
-1.934126E-01
-7.639724E-03
-5.583838E-01
-6.274792E-02
-1.914812E-01
-7.440011E-03
-1.808706E-01
-6.774850E-03
-6.259735E-01
-7.874410E-02
-1.959623E-01
-7.771208E-03
-6.301362E-02
-8.178688E-04
-1.062362E-01
-2.292485E-03
-5.916939E-02
-7.078944E-04
-5.265976E-02
-5.634399E-04
-6.747063E-02
-9.141711E-04
-4.478697E-02
-4.077583E-04
-1.277486E-01
-3.308655E-03
-3.585674E-01
-2.641571E-02
-1.192882E-01
-2.901276E-03
-1.457696E-01
-4.299462E-03
-3.467377E-01
-2.463831E-02
-1.305729E-01
-3.605534E-03
-5.067715E-02
-5.273379E-04
-7.374940E-02
-1.102912E-03
-5.226497E-02
-5.649644E-04
+4.880089E-02
+4.894233E-04
+8.221192E-02
+1.373712E-03
+5.205261E-02
+5.584673E-04
+1.272758E-01
+3.371623E-03
+3.599375E-01
+2.655645E-02
+1.377572E-01
+3.835778E-03
+1.646205E-01
+5.916595E-03
+3.806765E-01
+2.947576E-02
+1.470573E-01
+4.360385E-03
+5.568294E-02
+6.368003E-04
+6.775790E-02
+9.447074E-04
+5.580909E-02
+6.303584E-04
+6.674847E-02
+9.080853E-04
+9.747628E-02
+1.934325E-03
+6.824062E-02
+9.908844E-04
+1.891692E-01
+7.211874E-03
+5.976566E-01
+7.206211E-02
+1.805640E-01
+6.599680E-03
+2.114692E-01
+9.202185E-03
+6.514433E-01
+8.523087E-02
+1.905740E-01
+7.287607E-03
+7.633486E-02
+1.216488E-03
+1.117747E-01
+2.538705E-03
+7.438042E-02
+1.127109E-03
+7.356007E-02
+1.090617E-03
+1.161258E-01
+2.734941E-03
+6.745417E-02
+9.371031E-04
+2.153323E-01
+9.293477E-03
+9.414362E-01
+2.261845E-01
+2.016933E-01
+8.270477E-03
+2.370758E-01
+1.150628E-02
+9.973982E-01
+2.489516E-01
+2.152505E-01
+9.424546E-03
+7.502684E-02
+1.208304E-03
+1.244515E-01
+3.168682E-03
+7.515812E-02
+1.151397E-03
+6.355178E-02
+8.423316E-04
+1.040915E-01
+2.224064E-03
+6.902234E-02
+9.843766E-04
+1.978591E-01
+7.894161E-03
+5.162186E-01
+5.357742E-02
+1.897326E-01
+7.231935E-03
+1.827950E-01
+6.839560E-03
+5.780661E-01
+6.799910E-02
+1.881215E-01
+7.093746E-03
+6.083700E-02
+7.861240E-04
+9.978991E-02
+2.022733E-03
+6.004653E-02
+7.428556E-04
+4.951220E-02
+4.952385E-04
+7.401227E-02
+1.124154E-03
+5.151090E-02
+5.339359E-04
+1.356118E-01
+3.711749E-03
+3.400140E-01
+2.367518E-02
+1.385305E-01
+4.060592E-03
+1.438711E-01
+4.191824E-03
+3.276170E-01
+2.210924E-02
+1.279501E-01
+3.435254E-03
+4.852204E-02
+4.919417E-04
+7.229090E-02
+1.062894E-03
+4.344414E-02
+3.825354E-04
 tally 4:
-2.442367E-01
-1.209459E-02
-2.543262E-01
-1.314598E-02
-5.639744E-01
-6.449959E-02
-6.415410E-01
-8.269091E-02
-2.631124E-01
-1.406544E-02
-2.513955E-01
-1.285616E-02
-3.570608E-01
-2.559924E-02
-2.978502E-01
-1.787722E-02
-1.142500E+00
-2.799696E-01
-1.072656E+00
-2.465813E-01
-3.720711E-01
-2.776168E-02
-3.520288E-01
-2.482313E-02
-3.406093E-01
-2.332649E-02
-3.186893E-01
-2.046998E-02
-1.039053E+00
-2.337911E-01
-1.055863E+00
-2.442418E-01
-3.636093E-01
-2.679467E-02
-3.514845E-01
-2.481131E-02
-2.356811E-01
-1.112305E-02
-2.424590E-01
-1.205945E-02
-5.851380E-01
-6.974618E-02
-5.788717E-01
-6.882684E-02
-2.430058E-01
-1.205907E-02
-2.390704E-01
-1.167330E-02
+2.379877E-01
+1.141258E-02
+2.376600E-01
+1.137350E-02
+6.546514E-01
+8.852321E-02
+5.823862E-01
+6.810779E-02
+2.692631E-01
+1.479426E-02
+2.360469E-01
+1.124950E-02
+3.534788E-01
+2.528363E-02
+3.247931E-01
+2.160130E-02
+1.181513E+00
+2.959140E-01
+1.078874E+00
+2.467321E-01
+3.743375E-01
+2.859905E-02
+3.468123E-01
+2.427809E-02
+3.203903E-01
+2.109786E-02
+3.315547E-01
+2.216053E-02
+1.039077E+00
+2.294722E-01
+1.091786E+00
+2.572834E-01
+3.615960E-01
+2.678347E-02
+3.323317E-01
+2.226424E-02
+2.519726E-01
+1.279098E-02
+2.332385E-01
+1.101251E-02
+5.587247E-01
+6.293355E-02
+5.426859E-01
+6.010041E-02
+2.332981E-01
+1.097940E-02
+2.239951E-01
+1.043440E-02
diff --git a/tests/regression_tests/infinite_cell/results_true.dat b/tests/regression_tests/infinite_cell/results_true.dat
index b73c733ae..2c4ce082d 100644
--- a/tests/regression_tests/infinite_cell/results_true.dat
+++ b/tests/regression_tests/infinite_cell/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-9.537627E-02 2.349145E-03
+9.589951E-02 8.489144E-04
diff --git a/tests/regression_tests/iso_in_lab/results_true.dat b/tests/regression_tests/iso_in_lab/results_true.dat
index ce9cf316f..aaef22623 100644
--- a/tests/regression_tests/iso_in_lab/results_true.dat
+++ b/tests/regression_tests/iso_in_lab/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-9.050918E-01 3.355799E-02
+9.015537E-01 1.086850E-01
diff --git a/tests/regression_tests/lattice/results_true.dat b/tests/regression_tests/lattice/results_true.dat
index ff0ff626f..f3e937b36 100644
--- a/tests/regression_tests/lattice/results_true.dat
+++ b/tests/regression_tests/lattice/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-1.068493E+00 1.318070E-01
+9.610829E-01 2.522714E-02
diff --git a/tests/regression_tests/lattice_hex/results_true.dat b/tests/regression_tests/lattice_hex/results_true.dat
index 3d53292ab..789bacc40 100644
--- a/tests/regression_tests/lattice_hex/results_true.dat
+++ b/tests/regression_tests/lattice_hex/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-2.522694E-01 1.422929E-02
+2.566607E-01 9.207770E-03
diff --git a/tests/regression_tests/lattice_hex_coincident/results_true.dat b/tests/regression_tests/lattice_hex_coincident/results_true.dat
index 94115e6ee..c134e123f 100644
--- a/tests/regression_tests/lattice_hex_coincident/results_true.dat
+++ b/tests/regression_tests/lattice_hex_coincident/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-1.901983E+00 1.772999E-02
+1.917792E+00 4.329425E-02
diff --git a/tests/regression_tests/lattice_hex_x/results_true.dat b/tests/regression_tests/lattice_hex_x/results_true.dat
index b1177911e..174dc70cd 100644
--- a/tests/regression_tests/lattice_hex_x/results_true.dat
+++ b/tests/regression_tests/lattice_hex_x/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-1.345955E+00 3.225468E-02
+1.367975E+00 2.264887E-02
diff --git a/tests/regression_tests/lattice_multiple/results_true.dat b/tests/regression_tests/lattice_multiple/results_true.dat
index 88b911e78..7a06551bd 100644
--- a/tests/regression_tests/lattice_multiple/results_true.dat
+++ b/tests/regression_tests/lattice_multiple/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-1.859909E+00 1.768384E-02
+1.859911E+00 8.282311E-03
diff --git a/tests/regression_tests/lattice_rotated/results_true.dat b/tests/regression_tests/lattice_rotated/results_true.dat
index d02656a3f..eeaa268fb 100644
--- a/tests/regression_tests/lattice_rotated/results_true.dat
+++ b/tests/regression_tests/lattice_rotated/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-4.674233E-01 1.599236E-02
+4.426784E-01 6.627506E-03
diff --git a/tests/regression_tests/mgxs_library_ce_to_mg/results_true.dat b/tests/regression_tests/mgxs_library_ce_to_mg/results_true.dat
index b4de4c775..d95659534 100644
--- a/tests/regression_tests/mgxs_library_ce_to_mg/results_true.dat
+++ b/tests/regression_tests/mgxs_library_ce_to_mg/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-1.263928E+00 3.768356E-02
+1.158563E+00 3.354681E-02
diff --git a/tests/regression_tests/mgxs_library_ce_to_mg_nuclides/results_true.dat b/tests/regression_tests/mgxs_library_ce_to_mg_nuclides/results_true.dat
index f2844ed29..a4e9dafcc 100644
--- a/tests/regression_tests/mgxs_library_ce_to_mg_nuclides/results_true.dat
+++ b/tests/regression_tests/mgxs_library_ce_to_mg_nuclides/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-3.817369E-01 1.166296E-02
+6.025533E-01 1.157401E-02
diff --git a/tests/regression_tests/mgxs_library_condense/results_true.dat b/tests/regression_tests/mgxs_library_condense/results_true.dat
index b1017a15b..0792d92da 100644
--- a/tests/regression_tests/mgxs_library_condense/results_true.dat
+++ b/tests/regression_tests/mgxs_library_condense/results_true.dat
@@ -1,362 +1,362 @@
   mesh 1       group in nuclide      mean std. dev.
        x  y  z                                     
-0      1  1  1        1   total  0.693468  0.019161
-2      1  2  1        1   total  0.694532  0.021411
-1      2  1  1        1   total  0.693746  0.023378
-3      2  2  1        1   total  0.697424  0.031315
+0      1  1  1        1   total  0.699306  0.028642
+2      1  2  1        1   total  0.687913  0.025966
+1      2  1  1        1   total  0.716035  0.018945
+3      2  2  1        1   total  0.702630  0.028574
   mesh 1       group in nuclide      mean std. dev.
        x  y  z                                     
-0      1  1  1        1   total  0.439784  0.020575
-2      1  2  1        1   total  0.427837  0.025828
-1      2  1  1        1   total  0.423294  0.027075
-3      2  2  1        1   total  0.433094  0.032674
+0      1  1  1        1   total  0.443642  0.030984
+2      1  2  1        1   total  0.429968  0.028072
+1      2  1  1        1   total  0.461535  0.021345
+3      2  2  1        1   total  0.439454  0.031232
   mesh 1       group in nuclide      mean std. dev.
        x  y  z                                     
-0      1  1  1        1   total  0.439784  0.020575
-2      1  2  1        1   total  0.427935  0.025836
-1      2  1  1        1   total  0.423294  0.027075
-3      2  2  1        1   total  0.433094  0.032674
+0      1  1  1        1   total  0.443642  0.030984
+2      1  2  1        1   total  0.429968  0.028072
+1      2  1  1        1   total  0.461535  0.021345
+3      2  2  1        1   total  0.439454  0.031232
   mesh 1       group in nuclide      mean std. dev.
        x  y  z                                     
-0      1  1  1        1   total  0.021509  0.001396
-2      1  2  1        1   total  0.020854  0.001436
-1      2  1  1        1   total  0.021469  0.001983
-3      2  2  1        1   total  0.022046  0.001594
+0      1  1  1        1   total  0.021895  0.001041
+2      1  2  1        1   total  0.021903  0.001108
+1      2  1  1        1   total  0.024895  0.001401
+3      2  2  1        1   total  0.022105  0.001198
   mesh 1       group in nuclide      mean std. dev.
        x  y  z                                     
-0      1  1  1        1   total  0.021489  0.001396
-2      1  2  1        1   total  0.020837  0.001436
-1      2  1  1        1   total  0.021454  0.001983
-3      2  2  1        1   total  0.022036  0.001594
+0      1  1  1        1   total  0.021883  0.001040
+2      1  2  1        1   total  0.021879  0.001108
+1      2  1  1        1   total  0.024875  0.001401
+3      2  2  1        1   total  0.022071  0.001197
   mesh 1       group in nuclide      mean std. dev.
        x  y  z                                     
-0      1  1  1        1   total  0.011598  0.001508
-2      1  2  1        1   total  0.010856  0.001613
-1      2  1  1        1   total  0.011622  0.002259
-3      2  2  1        1   total  0.012002  0.001685
+0      1  1  1        1   total  0.011219  0.000958
+2      1  2  1        1   total  0.011437  0.001013
+1      2  1  1        1   total  0.012947  0.001437
+3      2  2  1        1   total  0.011756  0.001144
   mesh 1       group in nuclide      mean std. dev.
        x  y  z                                     
-0      1  1  1        1   total  0.009911  0.000667
-2      1  2  1        1   total  0.009998  0.000859
-1      2  1  1        1   total  0.009847  0.001153
-3      2  2  1        1   total  0.010044  0.000939
+0      1  1  1        1   total  0.010676  0.000481
+2      1  2  1        1   total  0.010466  0.000446
+1      2  1  1        1   total  0.011948  0.000517
+3      2  2  1        1   total  0.010350  0.000547
   mesh 1       group in nuclide      mean std. dev.
        x  y  z                                     
-0      1  1  1        1   total  0.024369  0.001625
-2      1  2  1        1   total  0.024572  0.002095
-1      2  1  1        1   total  0.024189  0.002811
-3      2  2  1        1   total  0.024677  0.002291
+0      1  1  1        1   total  0.026218  0.001180
+2      1  2  1        1   total  0.025724  0.001093
+1      2  1  1        1   total  0.029326  0.001262
+3      2  2  1        1   total  0.025451  0.001338
   mesh 1       group in nuclide          mean      std. dev.
        x  y  z                                              
-0      1  1  1        1   total  1.919781e+06  128933.976741
-2      1  2  1        1   total  1.936343e+06  166141.202022
-1      2  1  1        1   total  1.906964e+06  223076.300071
-3      2  2  1        1   total  1.945248e+06  181591.269295
+0      1  1  1        1   total  2.067337e+06   93152.452502
+2      1  2  1        1   total  2.026907e+06   86377.585629
+1      2  1  1        1   total  2.313358e+06   99980.823985
+3      2  2  1        1   total  2.004370e+06  105820.022073
   mesh 1       group in nuclide      mean std. dev.
        x  y  z                                     
-0      1  1  1        1   total  0.671959  0.018153
-2      1  2  1        1   total  0.673678  0.020448
-1      2  1  1        1   total  0.672277  0.021882
-3      2  2  1        1   total  0.675378  0.030166
+0      1  1  1        1   total  0.677411  0.027731
+2      1  2  1        1   total  0.666009  0.025155
+1      2  1  1        1   total  0.691140  0.018119
+3      2  2  1        1   total  0.680525  0.027587
   mesh 1       group in nuclide      mean std. dev.
        x  y  z                                     
-0      1  1  1        1   total  0.672619  0.022961
-2      1  2  1        1   total  0.687448  0.033696
-1      2  1  1        1   total  0.676738  0.023823
-3      2  2  1        1   total  0.673350  0.021595
+0      1  1  1        1   total  0.679832  0.030242
+2      1  2  1        1   total  0.663143  0.019259
+1      2  1  1        1   total  0.679503  0.027107
+3      2  2  1        1   total  0.681909  0.033506
    mesh 1       group in group out legendre nuclide      mean std. dev.
         x  y  z                                                        
-0       1  1  1        1         1       P0   total  0.672619  0.023173
-1       1  1  1        1         1       P1   total  0.253684  0.007398
-2       1  1  1        1         1       P2   total  0.083914  0.004899
-3       1  1  1        1         1       P3   total  0.006851  0.005511
-8       1  2  1        1         1       P0   total  0.687265  0.033719
-9       1  2  1        1         1       P1   total  0.266694  0.014161
-10      1  2  1        1         1       P2   total  0.110092  0.005824
-11      1  2  1        1         1       P3   total  0.014970  0.004933
-4       2  1  1        1         1       P0   total  0.676738  0.023406
-5       2  1  1        1         1       P1   total  0.270452  0.013885
-6       2  1  1        1         1       P2   total  0.107918  0.005840
-7       2  1  1        1         1       P3   total  0.016160  0.004108
-12      2  2  1        1         1       P0   total  0.673350  0.021192
-13      2  2  1        1         1       P1   total  0.264330  0.009415
-14      2  2  1        1         1       P2   total  0.093703  0.004850
-15      2  2  1        1         1       P3   total  0.019800  0.005236
+0       1  1  1        1         1       P0   total  0.679832  0.030426
+1       1  1  1        1         1       P1   total  0.255665  0.011704
+2       1  1  1        1         1       P2   total  0.087020  0.005603
+3       1  1  1        1         1       P3   total  0.006425  0.005919
+8       1  2  1        1         1       P0   total  0.663143  0.019088
+9       1  2  1        1         1       P1   total  0.257945  0.010887
+10      1  2  1        1         1       P2   total  0.095395  0.006988
+11      1  2  1        1         1       P3   total  0.009816  0.003950
+4       2  1  1        1         1       P0   total  0.679503  0.026695
+5       2  1  1        1         1       P1   total  0.254500  0.009901
+6       2  1  1        1         1       P2   total  0.093289  0.005481
+7       2  1  1        1         1       P3   total  0.004631  0.004081
+12      2  2  1        1         1       P0   total  0.681909  0.032740
+13      2  2  1        1         1       P1   total  0.263176  0.012659
+14      2  2  1        1         1       P2   total  0.093102  0.006603
+15      2  2  1        1         1       P3   total  0.007938  0.005673
    mesh 1       group in group out legendre nuclide      mean std. dev.
         x  y  z                                                        
-0       1  1  1        1         1       P0   total  0.672619  0.023173
-1       1  1  1        1         1       P1   total  0.253684  0.007398
-2       1  1  1        1         1       P2   total  0.083914  0.004899
-3       1  1  1        1         1       P3   total  0.006851  0.005511
-8       1  2  1        1         1       P0   total  0.687448  0.033656
-9       1  2  1        1         1       P1   total  0.266596  0.014177
-10      1  2  1        1         1       P2   total  0.110079  0.005826
-11      1  2  1        1         1       P3   total  0.015046  0.004973
-4       2  1  1        1         1       P0   total  0.676738  0.023406
-5       2  1  1        1         1       P1   total  0.270452  0.013885
-6       2  1  1        1         1       P2   total  0.107918  0.005840
-7       2  1  1        1         1       P3   total  0.016160  0.004108
-12      2  2  1        1         1       P0   total  0.673350  0.021192
-13      2  2  1        1         1       P1   total  0.264330  0.009415
-14      2  2  1        1         1       P2   total  0.093703  0.004850
-15      2  2  1        1         1       P3   total  0.019800  0.005236
-  mesh 1       group in group out nuclide      mean std. dev.
-       x  y  z                                               
-0      1  1  1        1         1   total  1.000000  0.036767
-2      1  2  1        1         1   total  1.000266  0.042769
-1      2  1  1        1         1   total  1.000000  0.034289
-3      2  2  1        1         1   total  1.000000  0.022887
-  mesh 1       group in group out nuclide      mean std. dev.
-       x  y  z                                               
-0      1  1  1        1         1   total  0.025263  0.001825
-2      1  2  1        1         1   total  0.021868  0.001931
-1      2  1  1        1         1   total  0.025960  0.002413
-3      2  2  1        1         1   total  0.028694  0.002815
+0       1  1  1        1         1       P0   total  0.679832  0.030426
+1       1  1  1        1         1       P1   total  0.255665  0.011704
+2       1  1  1        1         1       P2   total  0.087020  0.005603
+3       1  1  1        1         1       P3   total  0.006425  0.005919
+8       1  2  1        1         1       P0   total  0.663143  0.019088
+9       1  2  1        1         1       P1   total  0.257945  0.010887
+10      1  2  1        1         1       P2   total  0.095395  0.006988
+11      1  2  1        1         1       P3   total  0.009816  0.003950
+4       2  1  1        1         1       P0   total  0.679503  0.026695
+5       2  1  1        1         1       P1   total  0.254500  0.009901
+6       2  1  1        1         1       P2   total  0.093289  0.005481
+7       2  1  1        1         1       P3   total  0.004631  0.004081
+12      2  2  1        1         1       P0   total  0.681909  0.032740
+13      2  2  1        1         1       P1   total  0.263176  0.012659
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+15      2  2  1        1         1       P3   total  0.007938  0.005673
   mesh 1       group in group out nuclide mean std. dev.
        x  y  z                                          
-0      1  1  1        1         1   total  1.0  0.036767
-2      1  2  1        1         1   total  1.0  0.042878
-1      2  1  1        1         1   total  1.0  0.034289
-3      2  2  1        1         1   total  1.0  0.022887
-   mesh 1       group in group out legendre nuclide      mean std. dev.
-        x  y  z                                                        
-0       1  1  1        1         1       P0   total  0.671959  0.030658
-1       1  1  1        1         1       P1   total  0.253435  0.010587
-2       1  1  1        1         1       P2   total  0.083831  0.005499
-3       1  1  1        1         1       P3   total  0.006845  0.005509
-8       1  2  1        1         1       P0   total  0.673678  0.035391
-9       1  2  1        1         1       P1   total  0.261422  0.014724
-10      1  2  1        1         1       P2   total  0.107915  0.006058
-11      1  2  1        1         1       P3   total  0.014674  0.004843
-4       2  1  1        1         1       P0   total  0.672277  0.031784
-5       2  1  1        1         1       P1   total  0.268669  0.016287
-6       2  1  1        1         1       P2   total  0.107206  0.006753
-7       2  1  1        1         1       P3   total  0.016054  0.004114
-12      2  2  1        1         1       P0   total  0.675378  0.033896
-13      2  2  1        1         1       P1   total  0.265126  0.014021
-14      2  2  1        1         1       P2   total  0.093985  0.006096
-15      2  2  1        1         1       P3   total  0.019860  0.005309
-   mesh 1       group in group out legendre nuclide      mean std. dev.
-        x  y  z                                                        
-0       1  1  1        1         1       P0   total  0.671959  0.039374
-1       1  1  1        1         1       P1   total  0.253435  0.014104
-2       1  1  1        1         1       P2   total  0.083831  0.006304
-3       1  1  1        1         1       P3   total  0.006845  0.005515
-8       1  2  1        1         1       P0   total  0.673857  0.045644
-9       1  2  1        1         1       P1   total  0.261492  0.018491
-10      1  2  1        1         1       P2   total  0.107944  0.007617
-11      1  2  1        1         1       P3   total  0.014678  0.004885
-4       2  1  1        1         1       P0   total  0.672277  0.039263
-5       2  1  1        1         1       P1   total  0.268669  0.018712
-6       2  1  1        1         1       P2   total  0.107206  0.007689
-7       2  1  1        1         1       P3   total  0.016054  0.004150
-12      2  2  1        1         1       P0   total  0.675378  0.037254
-13      2  2  1        1         1       P1   total  0.265126  0.015278
-14      2  2  1        1         1       P2   total  0.093985  0.006465
-15      2  2  1        1         1       P3   total  0.019860  0.005328
-  mesh 1       group out nuclide mean std. dev.
-       x  y  z                                 
-0      1  1  1         1   total  1.0  0.080776
-2      1  2  1         1   total  1.0  0.117674
-1      2  1  1         1   total  1.0  0.160576
-3      2  2  1         1   total  1.0  0.151384
-  mesh 1       group out nuclide mean std. dev.
-       x  y  z                                 
-0      1  1  1         1   total  1.0  0.080742
-2      1  2  1         1   total  1.0  0.117674
-1      2  1  1         1   total  1.0  0.160576
-3      2  2  1         1   total  1.0  0.150417
-  mesh 1       group in nuclide          mean     std. dev.
-       x  y  z                                             
-0      1  1  1        1   total  4.800874e-07  2.910227e-08
-2      1  2  1        1   total  5.008000e-07  3.613802e-08
-1      2  1  1        1   total  4.872638e-07  4.324238e-08
-3      2  2  1        1   total  4.890453e-07  2.833017e-08
-  mesh 1       group in nuclide      mean std. dev.
-       x  y  z                                     
-0      1  1  1        1   total  0.024194  0.001614
-2      1  2  1        1   total  0.024397  0.002081
-1      2  1  1        1   total  0.024017  0.002793
-3      2  2  1        1   total  0.024501  0.002276
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   mesh 1       group in group out nuclide      mean std. dev.
        x  y  z                                               
-0      1  1  1        1         1   total  0.024899  0.001762
-2      1  2  1        1         1   total  0.021868  0.001931
-1      2  1  1        1         1   total  0.025960  0.002413
-3      2  2  1        1         1   total  0.028508  0.002818
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+  mesh 1       group in group out nuclide mean std. dev.
+       x  y  z                                          
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+   mesh 1       group in group out legendre nuclide      mean std. dev.
+        x  y  z                                                        
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+12      2  2  1        1         1       P0   total  0.680525  0.039486
+13      2  2  1        1         1       P1   total  0.262642  0.015259
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+15      2  2  1        1         1       P3   total  0.007921  0.005668
+   mesh 1       group in group out legendre nuclide      mean std. dev.
+        x  y  z                                                        
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+11      1  2  1        1         1       P3   total  0.009858  0.003985
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+15      2  2  1        1         1       P3   total  0.007921  0.005677
+  mesh 1       group out nuclide mean std. dev.
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+0      1  1  1         1   total  1.0  0.103333
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+3      2  2  1         1   total  1.0  0.130701
+  mesh 1       group out nuclide mean std. dev.
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+  mesh 1       group in nuclide          mean     std. dev.
+       x  y  z                                             
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+2      1  2  1        1   total  4.940320e-07  2.410416e-08
+1      2  1  1        1   total  5.587366e-07  3.382787e-08
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+  mesh 1       group in nuclide      mean std. dev.
+       x  y  z                                     
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+2      1  2  1        1   total  0.025542  0.001086
+1      2  1  1        1   total  0.029121  0.001254
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+  mesh 1       group in group out nuclide      mean std. dev.
+       x  y  z                                               
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+2      1  2  1        1         1   total  0.031522  0.004261
+1      2  1  1        1         1   total  0.021855  0.001457
+3      2  2  1        1         1   total  0.028262  0.002358
    mesh 1               group in nuclide   mean std. dev.
         x  y       surf                                  
-3       1  1   x-max in        1   total  4.520  0.122262
-2       1  1  x-max out        1   total  4.486  0.128841
+3       1  1   x-max in        1   total  4.280  0.164469
+2       1  1  x-max out        1   total  4.250  0.107135
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-7       1  1   y-max in        1   total  4.406  0.116576
-6       1  1  y-max out        1   total  4.436  0.064637
+7       1  1   y-max in        1   total  4.364  0.105622
+6       1  1  y-max out        1   total  4.412  0.158019
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-19      1  2   x-max in        1   total  4.460  0.122752
-18      1  2  x-max out        1   total  4.480  0.162721
+19      1  2   x-max in        1   total  4.388  0.102470
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-21      1  2   y-min in        1   total  4.436  0.064637
-20      1  2  y-min out        1   total  4.406  0.116576
+21      1  2   y-min in        1   total  4.412  0.158019
+20      1  2  y-min out        1   total  4.364  0.105622
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-9       2  1   x-min in        1   total  4.486  0.128841
-8       2  1  x-min out        1   total  4.520  0.122262
-15      2  1   y-max in        1   total  4.548  0.156691
-14      2  1  y-max out        1   total  4.526  0.166571
+9       2  1   x-min in        1   total  4.250  0.107135
+8       2  1  x-min out        1   total  4.280  0.164469
+15      2  1   y-max in        1   total  4.402  0.182565
+14      2  1  y-max out        1   total  4.346  0.148189
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-25      2  2   x-min in        1   total  4.480  0.162721
-24      2  2  x-min out        1   total  4.460  0.122752
+25      2  2   x-min in        1   total  4.428  0.140228
+24      2  2  x-min out        1   total  4.388  0.102470
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-29      2  2   y-min in        1   total  4.526  0.166571
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+29      2  2   y-min in        1   total  4.346  0.148189
+28      2  2  y-min out        1   total  4.402  0.182565
   mesh 1       group in nuclide      mean std. dev.
        x  y  z                                     
-0      1  1  1        1   total  0.931945  0.045510
-2      1  2  1        1   total  0.962029  0.072431
-1      2  1  1        1   total  0.971983  0.071094
-3      2  2  1        1   total  0.930013  0.102254
+0      1  1  1        1   total  0.950616  0.095874
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+1      2  1  1        1   total  0.885723  0.041074
+3      2  2  1        1   total  0.951783  0.101570
   mesh 1       group in nuclide      mean std. dev.
        x  y  z                                     
-0      1  1  1        1   total  0.931945  0.045510
-2      1  2  1        1   total  0.961685  0.072418
-1      2  1  1        1   total  0.971983  0.071094
-3      2  2  1        1   total  0.930013  0.102254
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+1      2  1  1        1   total  0.885723  0.041074
+3      2  2  1        1   total  0.951783  0.101570
    mesh 1       delayedgroup group in nuclide      mean     std. dev.
         x  y  z                                                      
-0       1  1  1            1        1   total  0.000006  3.699363e-07
-1       1  1  1            2        1   total  0.000030  1.914853e-06
-2       1  1  1            3        1   total  0.000029  1.834339e-06
-3       1  1  1            4        1   total  0.000068  4.149880e-06
-4       1  1  1            5        1   total  0.000030  1.769320e-06
-5       1  1  1            6        1   total  0.000013  7.382097e-07
-12      1  2  1            1        1   total  0.000006  4.767315e-07
-13      1  2  1            2        1   total  0.000030  2.471571e-06
-14      1  2  1            3        1   total  0.000029  2.368041e-06
-15      1  2  1            4        1   total  0.000068  5.351482e-06
-16      1  2  1            5        1   total  0.000030  2.259042e-06
-17      1  2  1            6        1   total  0.000013  9.436237e-07
-6       2  1  1            1        1   total  0.000005  6.400406e-07
-7       2  1  1            2        1   total  0.000029  3.309040e-06
-8       2  1  1            3        1   total  0.000029  3.163385e-06
-9       2  1  1            4        1   total  0.000067  7.114281e-06
-10      2  1  1            5        1   total  0.000030  2.951164e-06
-11      2  1  1            6        1   total  0.000012  1.234794e-06
-18      2  2  1            1        1   total  0.000006  5.212824e-07
-19      2  2  1            2        1   total  0.000030  2.712206e-06
-20      2  2  1            3        1   total  0.000029  2.604912e-06
-21      2  2  1            4        1   total  0.000068  5.914482e-06
-22      2  2  1            5        1   total  0.000030  2.531950e-06
-23      2  2  1            6        1   total  0.000013  1.056326e-06
+0       1  1  1            1        1   total  0.000006  2.679142e-07
+1       1  1  1            2        1   total  0.000032  1.417723e-06
+2       1  1  1            3        1   total  0.000031  1.376260e-06
+3       1  1  1            4        1   total  0.000072  3.185580e-06
+4       1  1  1            5        1   total  0.000032  1.433425e-06
+5       1  1  1            6        1   total  0.000013  5.956400e-07
+12      1  2  1            1        1   total  0.000006  2.486865e-07
+13      1  2  1            2        1   total  0.000031  1.323941e-06
+14      1  2  1            3        1   total  0.000030  1.292803e-06
+15      1  2  1            4        1   total  0.000071  3.032740e-06
+16      1  2  1            5        1   total  0.000031  1.426193e-06
+17      1  2  1            6        1   total  0.000013  5.903673e-07
+6       2  1  1            1        1   total  0.000007  2.871910e-07
+7       2  1  1            2        1   total  0.000035  1.501590e-06
+8       2  1  1            3        1   total  0.000034  1.448170e-06
+9       2  1  1            4        1   total  0.000079  3.318195e-06
+10      2  1  1            5        1   total  0.000035  1.465737e-06
+11      2  1  1            6        1   total  0.000015  6.097547e-07
+18      2  2  1            1        1   total  0.000006  3.042761e-07
+19      2  2  1            2        1   total  0.000031  1.603780e-06
+20      2  2  1            3        1   total  0.000030  1.553523e-06
+21      2  2  1            4        1   total  0.000070  3.583849e-06
+22      2  2  1            5        1   total  0.000031  1.602620e-06
+23      2  2  1            6        1   total  0.000013  6.662067e-07
    mesh 1       delayedgroup group out nuclide mean std. dev.
         x  y  z                                              
-0       1  1  1            1         1   total  0.0  0.000000
-1       1  1  1            2         1   total  0.0  0.000000
-2       1  1  1            3         1   total  0.0  0.000000
-3       1  1  1            4         1   total  1.0  1.414214
-4       1  1  1            5         1   total  1.0  1.414214
-5       1  1  1            6         1   total  0.0  0.000000
-12      1  2  1            1         1   total  0.0  0.000000
-13      1  2  1            2         1   total  0.0  0.000000
-14      1  2  1            3         1   total  0.0  0.000000
-15      1  2  1            4         1   total  0.0  0.000000
-16      1  2  1            5         1   total  0.0  0.000000
-17      1  2  1            6         1   total  0.0  0.000000
-6       2  1  1            1         1   total  0.0  0.000000
-7       2  1  1            2         1   total  0.0  0.000000
-8       2  1  1            3         1   total  0.0  0.000000
-9       2  1  1            4         1   total  0.0  0.000000
-10      2  1  1            5         1   total  0.0  0.000000
-11      2  1  1            6         1   total  0.0  0.000000
-18      2  2  1            1         1   total  0.0  0.000000
-19      2  2  1            2         1   total  1.0  1.414214
-20      2  2  1            3         1   total  0.0  0.000000
-21      2  2  1            4         1   total  0.0  0.000000
-22      2  2  1            5         1   total  0.0  0.000000
-23      2  2  1            6         1   total  0.0  0.000000
+0       1  1  1            1         1   total  0.0       0.0
+1       1  1  1            2         1   total  0.0       0.0
+2       1  1  1            3         1   total  0.0       0.0
+3       1  1  1            4         1   total  0.0       0.0
+4       1  1  1            5         1   total  0.0       0.0
+5       1  1  1            6         1   total  0.0       0.0
+12      1  2  1            1         1   total  0.0       0.0
+13      1  2  1            2         1   total  0.0       0.0
+14      1  2  1            3         1   total  0.0       0.0
+15      1  2  1            4         1   total  0.0       0.0
+16      1  2  1            5         1   total  0.0       0.0
+17      1  2  1            6         1   total  0.0       0.0
+6       2  1  1            1         1   total  0.0       0.0
+7       2  1  1            2         1   total  0.0       0.0
+8       2  1  1            3         1   total  0.0       0.0
+9       2  1  1            4         1   total  0.0       0.0
+10      2  1  1            5         1   total  0.0       0.0
+11      2  1  1            6         1   total  0.0       0.0
+18      2  2  1            1         1   total  0.0       0.0
+19      2  2  1            2         1   total  0.0       0.0
+20      2  2  1            3         1   total  0.0       0.0
+21      2  2  1            4         1   total  0.0       0.0
+22      2  2  1            5         1   total  0.0       0.0
+23      2  2  1            6         1   total  0.0       0.0
    mesh 1       delayedgroup group in nuclide      mean std. dev.
         x  y  z                                                  
-0       1  1  1            1        1   total  0.000227  0.000021
-1       1  1  1            2        1   total  0.001219  0.000109
-2       1  1  1            3        1   total  0.001191  0.000106
-3       1  1  1            4        1   total  0.002775  0.000243
-4       1  1  1            5        1   total  0.001249  0.000106
-5       1  1  1            6        1   total  0.000519  0.000044
-12      1  2  1            1        1   total  0.000227  0.000026
-13      1  2  1            2        1   total  0.001216  0.000140
-14      1  2  1            3        1   total  0.001187  0.000135
-15      1  2  1            4        1   total  0.002760  0.000309
-16      1  2  1            5        1   total  0.001236  0.000135
-17      1  2  1            6        1   total  0.000514  0.000056
-6       2  1  1            1        1   total  0.000227  0.000037
-7       2  1  1            2        1   total  0.001215  0.000194
-8       2  1  1            3        1   total  0.001184  0.000187
-9       2  1  1            4        1   total  0.002749  0.000428
-10      2  1  1            5        1   total  0.001227  0.000185
-11      2  1  1            6        1   total  0.000511  0.000077
-18      2  2  1            1        1   total  0.000227  0.000027
-19      2  2  1            2        1   total  0.001215  0.000145
-20      2  2  1            3        1   total  0.001185  0.000140
-21      2  2  1            4        1   total  0.002752  0.000321
-22      2  2  1            5        1   total  0.001229  0.000140
-23      2  2  1            6        1   total  0.000511  0.000058
+0       1  1  1            1        1   total  0.000227  0.000011
+1       1  1  1            2        1   total  0.001212  0.000058
+2       1  1  1            3        1   total  0.001180  0.000057
+3       1  1  1            4        1   total  0.002734  0.000131
+4       1  1  1            5        1   total  0.001215  0.000059
+5       1  1  1            6        1   total  0.000506  0.000024
+12      1  2  1            1        1   total  0.000227  0.000010
+13      1  2  1            2        1   total  0.001213  0.000052
+14      1  2  1            3        1   total  0.001182  0.000051
+15      1  2  1            4        1   total  0.002744  0.000120
+16      1  2  1            5        1   total  0.001223  0.000056
+17      1  2  1            6        1   total  0.000509  0.000023
+6       2  1  1            1        1   total  0.000227  0.000013
+7       2  1  1            2        1   total  0.001207  0.000067
+8       2  1  1            3        1   total  0.001173  0.000065
+9       2  1  1            4        1   total  0.002710  0.000150
+10      2  1  1            5        1   total  0.001195  0.000066
+11      2  1  1            6        1   total  0.000498  0.000027
+18      2  2  1            1        1   total  0.000227  0.000014
+19      2  2  1            2        1   total  0.001212  0.000073
+20      2  2  1            3        1   total  0.001180  0.000071
+21      2  2  1            4        1   total  0.002740  0.000163
+22      2  2  1            5        1   total  0.001221  0.000073
+23      2  2  1            6        1   total  0.000508  0.000030
    mesh 1       delayedgroup nuclide      mean std. dev.
         x  y  z                                         
-0       1  1  1            1   total  0.013357  0.001250
-1       1  1  1            2   total  0.032589  0.002884
-2       1  1  1            3   total  0.121105  0.010300
-3       1  1  1            4   total  0.306138  0.024490
-4       1  1  1            5   total  0.862757  0.061312
-5       1  1  1            6   total  2.897868  0.207582
-12      1  2  1            1   total  0.013356  0.001625
-13      1  2  1            2   total  0.032597  0.003869
-14      1  2  1            3   total  0.121088  0.014125
-15      1  2  1            4   total  0.305963  0.034783
-16      1  2  1            5   total  0.862125  0.093434
-17      1  2  1            6   total  2.895716  0.314825
-6       2  1  1            1   total  0.013355  0.002181
-7       2  1  1            2   total  0.032604  0.005141
-8       2  1  1            3   total  0.121074  0.018615
-9       2  1  1            4   total  0.305828  0.045169
-10      2  1  1            5   total  0.861633  0.116817
-11      2  1  1            6   total  2.894042  0.394847
-18      2  2  1            1   total  0.013355  0.001620
-19      2  2  1            2   total  0.032602  0.003798
-20      2  2  1            3   total  0.121077  0.013715
-21      2  2  1            4   total  0.305857  0.033214
-22      2  2  1            5   total  0.861740  0.086567
-23      2  2  1            6   total  2.894407  0.292238
-   mesh 1       delayedgroup group in group out nuclide      mean std. dev.
-        x  y  z                                                            
-0       1  1  1            1        1         1   total  0.000000  0.000000
-1       1  1  1            2        1         1   total  0.000000  0.000000
-2       1  1  1            3        1         1   total  0.000000  0.000000
-3       1  1  1            4        1         1   total  0.000172  0.000172
-4       1  1  1            5        1         1   total  0.000192  0.000192
-5       1  1  1            6        1         1   total  0.000000  0.000000
-12      1  2  1            1        1         1   total  0.000000  0.000000
-13      1  2  1            2        1         1   total  0.000000  0.000000
-14      1  2  1            3        1         1   total  0.000000  0.000000
-15      1  2  1            4        1         1   total  0.000000  0.000000
-16      1  2  1            5        1         1   total  0.000000  0.000000
-17      1  2  1            6        1         1   total  0.000000  0.000000
-6       2  1  1            1        1         1   total  0.000000  0.000000
-7       2  1  1            2        1         1   total  0.000000  0.000000
-8       2  1  1            3        1         1   total  0.000000  0.000000
-9       2  1  1            4        1         1   total  0.000000  0.000000
-10      2  1  1            5        1         1   total  0.000000  0.000000
-11      2  1  1            6        1         1   total  0.000000  0.000000
-18      2  2  1            1        1         1   total  0.000000  0.000000
-19      2  2  1            2        1         1   total  0.000186  0.000186
-20      2  2  1            3        1         1   total  0.000000  0.000000
-21      2  2  1            4        1         1   total  0.000000  0.000000
-22      2  2  1            5        1         1   total  0.000000  0.000000
-23      2  2  1            6        1         1   total  0.000000  0.000000
+0       1  1  1            1   total  0.013354  0.000674
+1       1  1  1            2   total  0.032612  0.001720
+2       1  1  1            3   total  0.121057  0.006579
+3       1  1  1            4   total  0.305656  0.017398
+4       1  1  1            5   total  0.861000  0.053768
+5       1  1  1            6   total  2.891889  0.179407
+12      1  2  1            1   total  0.013354  0.000497
+13      1  2  1            2   total  0.032605  0.001150
+14      1  2  1            3   total  0.121071  0.004175
+15      1  2  1            4   total  0.305792  0.010484
+16      1  2  1            5   total  0.861500  0.032627
+17      1  2  1            6   total  2.893589  0.108347
+6       2  1  1            1   total  0.013352  0.000663
+7       2  1  1            2   total  0.032625  0.001570
+8       2  1  1            3   total  0.121029  0.005721
+9       2  1  1            4   total  0.305375  0.014144
+10      2  1  1            5   total  0.859955  0.039608
+11      2  1  1            6   total  2.888337  0.132844
+18      2  2  1            1   total  0.013354  0.000892
+19      2  2  1            2   total  0.032606  0.002209
+20      2  2  1            3   total  0.121069  0.008302
+21      2  2  1            4   total  0.305776  0.021416
+22      2  2  1            5   total  0.861442  0.063571
+23      2  2  1            6   total  2.893392  0.212640
+   mesh 1       delayedgroup group in group out nuclide mean std. dev.
+        x  y  z                                                       
+0       1  1  1            1        1         1   total  0.0       0.0
+1       1  1  1            2        1         1   total  0.0       0.0
+2       1  1  1            3        1         1   total  0.0       0.0
+3       1  1  1            4        1         1   total  0.0       0.0
+4       1  1  1            5        1         1   total  0.0       0.0
+5       1  1  1            6        1         1   total  0.0       0.0
+12      1  2  1            1        1         1   total  0.0       0.0
+13      1  2  1            2        1         1   total  0.0       0.0
+14      1  2  1            3        1         1   total  0.0       0.0
+15      1  2  1            4        1         1   total  0.0       0.0
+16      1  2  1            5        1         1   total  0.0       0.0
+17      1  2  1            6        1         1   total  0.0       0.0
+6       2  1  1            1        1         1   total  0.0       0.0
+7       2  1  1            2        1         1   total  0.0       0.0
+8       2  1  1            3        1         1   total  0.0       0.0
+9       2  1  1            4        1         1   total  0.0       0.0
+10      2  1  1            5        1         1   total  0.0       0.0
+11      2  1  1            6        1         1   total  0.0       0.0
+18      2  2  1            1        1         1   total  0.0       0.0
+19      2  2  1            2        1         1   total  0.0       0.0
+20      2  2  1            3        1         1   total  0.0       0.0
+21      2  2  1            4        1         1   total  0.0       0.0
+22      2  2  1            5        1         1   total  0.0       0.0
+23      2  2  1            6        1         1   total  0.0       0.0
diff --git a/tests/regression_tests/mgxs_library_correction/results_true.dat b/tests/regression_tests/mgxs_library_correction/results_true.dat
index 690c9e4dc..ff4bd9746 100644
--- a/tests/regression_tests/mgxs_library_correction/results_true.dat
+++ b/tests/regression_tests/mgxs_library_correction/results_true.dat
@@ -1,60 +1,60 @@
    material  group in  group out nuclide      mean  std. dev.
-3         1         1          1   total  0.353219   0.011858
-2         1         1          2   total  0.000876   0.000554
+3         1         1          1   total  0.342252   0.023795
+2         1         1          2   total  0.000695   0.000327
 1         1         2          1   total  0.000000   0.000000
-0         1         2          2   total  0.367572   0.024736
+0         1         2          2   total  0.388426   0.020840
    material  group in  group out nuclide      mean  std. dev.
-3         1         1          1   total  0.353488   0.011854
-2         1         1          2   total  0.000876   0.000554
+3         1         1          1   total  0.342252   0.023795
+2         1         1          2   total  0.000695   0.000327
 1         1         2          1   total  0.000000   0.000000
-0         1         2          2   total  0.367572   0.024736
+0         1         2          2   total  0.388426   0.020840
    material  group in  group out nuclide      mean  std. dev.
-3         1         1          1   total  0.350138   0.017141
-2         1         1          2   total  0.000869   0.000551
+3         1         1          1   total  0.343021   0.031016
+2         1         1          2   total  0.000697   0.000329
 1         1         2          1   total  0.000000   0.000000
-0         1         2          2   total  0.378130   0.046663
+0         1         2          2   total  0.376544   0.025156
    material  group in  group out nuclide      mean  std. dev.
-3         1         1          1   total  0.350406   0.018910
-2         1         1          2   total  0.000869   0.000953
+3         1         1          1   total  0.343021   0.039761
+2         1         1          2   total  0.000697   0.000566
 1         1         2          1   total  0.000000   0.000000
-0         1         2          2   total  0.378130   0.057580
+0         1         2          2   total  0.376544   0.032140
    material  group in  group out nuclide      mean  std. dev.
-3         2         1          1   total  0.272853   0.018051
-2         2         1          2   total  0.000486   0.000486
+3         2         1          1   total  0.271174   0.022374
+2         2         1          2   total  0.000000   0.000000
 1         2         2          1   total  0.000000   0.000000
-0         2         2          2   total  0.287308   0.063393
+0         2         2          2   total  0.295401   0.032831
    material  group in  group out nuclide      mean  std. dev.
-3         2         1          1   total  0.272853   0.018051
-2         2         1          2   total  0.000486   0.000486
+3         2         1          1   total  0.271174   0.022374
+2         2         1          2   total  0.000000   0.000000
 1         2         2          1   total  0.000000   0.000000
-0         2         2          2   total  0.287308   0.063393
+0         2         2          2   total  0.295401   0.032831
    material  group in  group out nuclide      mean  std. dev.
-3         2         1          1   total  0.273465   0.021487
-2         2         1          2   total  0.000487   0.000487
+3         2         1          1   total  0.264654   0.028288
+2         2         1          2   total  0.000000   0.000000
 1         2         2          1   total  0.000000   0.000000
-0         2         2          2   total  0.294966   0.065882
+0         2         2          2   total  0.295178   0.032530
    material  group in  group out nuclide      mean  std. dev.
-3         2         1          1   total  0.273465   0.025834
-2         2         1          2   total  0.000487   0.000843
+3         2         1          1   total  0.264654   0.036081
+2         2         1          2   total  0.000000   0.000000
 1         2         2          1   total  0.000000   0.000000
-0         2         2          2   total  0.294966   0.089321
+0         2         2          2   total  0.295178   0.044676
    material  group in  group out nuclide      mean  std. dev.
-3         3         1          1   total  0.262301   0.012948
-2         3         1          2   total  0.029783   0.000974
-1         3         2          1   total  0.000000   0.000000
-0         3         2          2   total  1.418218   0.082199
+3         3         1          1   total  0.257831   0.014436
+2         3         1          2   total  0.030826   0.000973
+1         3         2          1   total  0.000467   0.000467
+0         3         2          2   total  1.443057   0.119909
    material  group in  group out nuclide      mean  std. dev.
-3         3         1          1   total  0.262301   0.012948
-2         3         1          2   total  0.029783   0.000974
-1         3         2          1   total  0.000000   0.000000
-0         3         2          2   total  1.418218   0.082199
+3         3         1          1   total  0.257831   0.014436
+2         3         1          2   total  0.030826   0.000973
+1         3         2          1   total  0.000467   0.000467
+0         3         2          2   total  1.443057   0.119909
    material  group in  group out nuclide      mean  std. dev.
-3         3         1          1   total  0.261486   0.022535
-2         3         1          2   total  0.029746   0.001063
-1         3         2          1   total  0.000000   0.000000
-0         3         2          2   total  1.432958   0.149985
+3         3         1          1   total  0.267025   0.029512
+2         3         1          2   total  0.031268   0.001416
+1         3         2          1   total  0.000466   0.000467
+0         3         2          2   total  1.440250   0.164573
    material  group in  group out nuclide      mean  std. dev.
-3         3         1          1   total  0.261486   0.026061
-2         3         1          2   total  0.029746   0.001468
-1         3         2          1   total  0.000000   0.000000
-0         3         2          2   total  1.432958   0.178757
+3         3         1          1   total  0.267025   0.032860
+2         3         1          2   total  0.031268   0.001768
+1         3         2          1   total  0.000466   0.000808
+0         3         2          2   total  1.440250   0.212183
diff --git a/tests/regression_tests/mgxs_library_distribcell/results_true.dat b/tests/regression_tests/mgxs_library_distribcell/results_true.dat
index 3d362c1bd..ad2aef475 100644
--- a/tests/regression_tests/mgxs_library_distribcell/results_true.dat
+++ b/tests/regression_tests/mgxs_library_distribcell/results_true.dat
@@ -1,97 +1,97 @@
                                                                                                                                                                                                                                                                                                                                                                                                  sum(distribcell)  group in nuclide      mean  std. dev.
-0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1   total  0.450382   0.010238
+0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1   total  0.455527   0.009851
                                                                                                                                                                                                                                                                                                                                                                                                  sum(distribcell)  group in nuclide      mean  std. dev.
-0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1   total  0.413436   0.011349
-                                                                                                                                                                                                                                                                                                                                                                                                 sum(distribcell)  group in nuclide      mean  std. dev.
-0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1   total  0.413276   0.011357
+0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1   total  0.409242   0.011118
                                                                                                                                                                                                                                                                                                                                                                                                  sum(distribcell)  group in nuclide     mean  std. dev.
-0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1   total  0.06484   0.002514
+0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1   total  0.40929   0.011119
                                                                                                                                                                                                                                                                                                                                                                                                  sum(distribcell)  group in nuclide      mean  std. dev.
-0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1   total  0.064761   0.002514
+0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1   total  0.066934   0.002424
                                                                                                                                                                                                                                                                                                                                                                                                  sum(distribcell)  group in nuclide      mean  std. dev.
-0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1   total  0.028638   0.002713
+0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1   total  0.066764   0.002423
                                                                                                                                                                                                                                                                                                                                                                                                  sum(distribcell)  group in nuclide      mean  std. dev.
-0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1   total  0.036203   0.001449
+0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1   total  0.028358   0.002669
                                                                                                                                                                                                                                                                                                                                                                                                  sum(distribcell)  group in nuclide      mean  std. dev.
-0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1   total  0.089088   0.003536
+0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1   total  0.038576   0.001526
+                                                                                                                                                                                                                                                                                                                                                                                                 sum(distribcell)  group in nuclide      mean  std. dev.
+0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1   total  0.094817   0.003725
                                                                                                                                                                                                                                                                                                                                                                                                  sum(distribcell)  group in nuclide          mean      std. dev.
-0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1   total  7.011996e+06  280281.488034
+0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1   total  7.470225e+06  295170.385185
                                                                                                                                                                                                                                                                                                                                                                                                  sum(distribcell)  group in nuclide      mean  std. dev.
-0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1   total  0.385542   0.008566
+0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1   total  0.388593   0.008156
                                                                                                                                                                                                                                                                                                                                                                                                  sum(distribcell)  group in nuclide      mean  std. dev.
-0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1   total  0.386602   0.013718
+0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1   total  0.388874   0.013889
                                                                                                                                                                                                                                                                                                                                                                                                  sum(distribcell)  group in  group out legendre nuclide      mean  std. dev.
-0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1          1       P0   total  0.386439   0.013702
-1  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1          1       P1   total  0.036946   0.004896
-2  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1          1       P2   total  0.016245   0.003818
-3  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1          1       P3   total  0.005544   0.003119
+0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1          1       P0   total  0.388711   0.013887
+1  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1          1       P1   total  0.046285   0.005155
+2  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1          1       P2   total  0.023632   0.003772
+3  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1          1       P3   total  0.006997   0.003207
                                                                                                                                                                                                                                                                                                                                                                                                  sum(distribcell)  group in  group out legendre nuclide      mean  std. dev.
-0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1          1       P0   total  0.386602   0.013718
-1  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1          1       P1   total  0.037106   0.004917
-2  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1          1       P2   total  0.016398   0.003839
-3  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1          1       P3   total  0.005688   0.003138
+0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1          1       P0   total  0.388874   0.013889
+1  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1          1       P1   total  0.046237   0.005156
+2  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1          1       P2   total  0.023571   0.003775
+3  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1          1       P3   total  0.007058   0.003207
                                                                                                                                                                                                                                                                                                                                                                                                  sum(distribcell)  group in  group out nuclide      mean  std. dev.
-0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1          1   total  1.000421   0.036026
+0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1          1   total  1.000418   0.036246
                                                                                                                                                                                                                                                                                                                                                                                                  sum(distribcell)  group in  group out nuclide      mean  std. dev.
-0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1          1   total  0.083975   0.005759
+0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1          1   total  0.092139   0.005956
                                                                                                                                                                                                                                                                                                                                                                                                  sum(distribcell)  group in  group out nuclide  mean  std. dev.
-0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1          1   total   1.0   0.035985
+0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1          1   total   1.0   0.036242
                                                                                                                                                                                                                                                                                                                                                                                                  sum(distribcell)  group in  group out legendre nuclide      mean  std. dev.
-0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1          1       P0   total  0.385542   0.016305
-1  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1          1       P1   total  0.036860   0.004958
-2  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1          1       P2   total  0.016207   0.003827
-3  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1          1       P3   total  0.005531   0.003114
+0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1          1       P0   total  0.388593   0.016275
+1  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1          1       P1   total  0.046271   0.005251
+2  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1          1       P2   total  0.023624   0.003806
+3  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1          1       P3   total  0.006995   0.003209
                                                                                                                                                                                                                                                                                                                                                                                                  sum(distribcell)  group in  group out legendre nuclide      mean  std. dev.
-0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1          1       P0   total  0.385704   0.021424
-1  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1          1       P1   total  0.036876   0.005135
-2  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1          1       P2   total  0.016214   0.003873
-3  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1          1       P3   total  0.005533   0.003122
+0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1          1       P0   total  0.388755   0.021528
+1  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1          1       P1   total  0.046290   0.005515
+2  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1          1       P2   total  0.023634   0.003903
+3  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1          1       P3   total  0.006998   0.003221
                                                                                                                                                                                                                                                                                                                                                                                                  sum(distribcell)  group out nuclide  mean  std. dev.
-0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)          1   total   1.0   0.090473
+0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)          1   total   1.0   0.084366
                                                                                                                                                                                                                                                                                                                                                                                                  sum(distribcell)  group out nuclide  mean  std. dev.
-0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)          1   total   1.0   0.090571
+0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)          1   total   1.0   0.084331
                                                                                                                                                                                                                                                                                                                                                                                                  sum(distribcell)  group in nuclide          mean     std. dev.
-0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1   total  4.896406e-07  2.047455e-08
+0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1   total  5.253873e-07  2.168461e-08
                                                                                                                                                                                                                                                                                                                                                                                                  sum(distribcell)  group in nuclide      mean  std. dev.
-0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1   total  0.088451   0.003512
+0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1   total  0.094147   0.003701
                                                                                                                                                                                                                                                                                                                                                                                                  sum(distribcell)  group in  group out nuclide      mean  std. dev.
-0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1          1   total  0.082789   0.005683
+0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1          1   total  0.091593   0.005919
                                                                                                                                                                                                                                                                                                                                                                                                  sum(distribcell)  group in nuclide      mean  std. dev.
-0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1   total  0.806252   0.022131
+0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1   total  0.814514   0.022129
                                                                                                                                                                                                                                                                                                                                                                                                  sum(distribcell)  group in nuclide      mean  std. dev.
-0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1   total  0.806564   0.022166
+0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1   total  0.814419   0.022125
                                                                                                                                                                                                                                                                                                                                                                                                  sum(distribcell)  delayedgroup  group in nuclide      mean     std. dev.
-0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             1         1   total  0.000020  8.047454e-07
-1  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             2         1   total  0.000108  4.184372e-06
-2  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             3         1   total  0.000106  4.014315e-06
-3  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             4         1   total  0.000246  9.085237e-06
-4  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             5         1   total  0.000111  3.832957e-06
-5  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             6         1   total  0.000046  1.601490e-06
+0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             1         1   total  0.000021  8.473275e-07
+1  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             2         1   total  0.000115  4.405467e-06
+2  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             3         1   total  0.000112  4.225826e-06
+3  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             4         1   total  0.000259  9.559952e-06
+4  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             5         1   total  0.000115  4.025369e-06
+5  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             6         1   total  0.000048  1.682226e-06
                                                                                                                                                                                                                                                                                                                                                                                                  sum(distribcell)  delayedgroup  group out nuclide  mean  std. dev.
-0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             1          1   total   1.0   1.414214
+0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             1          1   total   0.0   0.000000
 1  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             2          1   total   0.0   0.000000
-2  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             3          1   total   0.0   0.000000
-3  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             4          1   total   1.0   0.708218
-4  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             5          1   total   1.0   1.414214
+2  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             3          1   total   1.0   1.000002
+3  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             4          1   total   1.0   1.414214
+4  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             5          1   total   0.0   0.000000
 5  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             6          1   total   0.0   0.000000
                                                                                                                                                                                                                                                                                                                                                                                                  sum(distribcell)  delayedgroup  group in nuclide      mean  std. dev.
 0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             1         1   total  0.000227   0.000012
-1  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             2         1   total  0.001216   0.000062
-2  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             3         1   total  0.001187   0.000060
-3  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             4         1   total  0.002764   0.000138
-4  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             5         1   total  0.001241   0.000060
-5  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             6         1   total  0.000516   0.000025
+1  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             2         1   total  0.001210   0.000062
+2  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             3         1   total  0.001177   0.000060
+3  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             4         1   total  0.002728   0.000136
+4  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             5         1   total  0.001211   0.000059
+5  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             6         1   total  0.000504   0.000025
                                                                                                                                                                                                                                                                                                                                                                                                  sum(distribcell)  delayedgroup nuclide      mean  std. dev.
-0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             1   total  0.013356   0.000697
-1  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             2   total  0.032593   0.001644
-2  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             3   total  0.121097   0.005963
-3  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             4   total  0.306056   0.014519
-4  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             5   total  0.862463   0.037889
-5  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             6   total  2.896867   0.127967
+0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             1   total  0.013353   0.000692
+1  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             2   total  0.032613   0.001644
+2  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             3   total  0.121054   0.005983
+3  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             4   total  0.305630   0.014645
+4  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             5   total  0.860903   0.038693
+5  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             6   total  2.891558   0.130564
                                                                                                                                                                                                                                                                                                                                                                                                  sum(distribcell)  delayedgroup  group in  group out nuclide      mean  std. dev.
-0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             1         1          1   total  0.000189   0.000189
+0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             1         1          1   total  0.000000   0.000000
 1  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             2         1          1   total  0.000000   0.000000
-2  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             3         1          1   total  0.000000   0.000000
-3  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             4         1          1   total  0.000807   0.000405
-4  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             5         1          1   total  0.000191   0.000191
+2  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             3         1          1   total  0.000362   0.000256
+3  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             4         1          1   total  0.000185   0.000185
+4  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             5         1          1   total  0.000000   0.000000
 5  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             6         1          1   total  0.000000   0.000000
diff --git a/tests/regression_tests/mgxs_library_hdf5/results_true.dat b/tests/regression_tests/mgxs_library_hdf5/results_true.dat
index b075939f2..28a352fdf 100644
--- a/tests/regression_tests/mgxs_library_hdf5/results_true.dat
+++ b/tests/regression_tests/mgxs_library_hdf5/results_true.dat
@@ -1,201 +1,201 @@
 domain=1 type=total
-[5.62093429e-01 1.47762208e+00]
-[1.25813379e-02 1.33969236e-01]
+[5.52629207e-01 1.46792426e+00]
+[2.73983948e-02 9.30468557e-02]
 domain=1 type=transport
-[3.20646457e-01 1.15112225e+00]
-[1.43813685e-02 1.38168210e-01]
+[3.09650231e-01 1.14528468e+00]
+[2.96126059e-02 1.01957125e-01]
 domain=1 type=nu-transport
-[3.20646457e-01 1.15112225e+00]
-[1.43813685e-02 1.38168210e-01]
+[3.09650231e-01 1.14528468e+00]
+[2.96126059e-02 1.01957125e-01]
 domain=1 type=absorption
-[9.18204614e-03 9.50890834e-02]
-[1.02291781e-03 9.51211716e-03]
+[7.90251362e-03 9.52195503e-02]
+[7.77996866e-04 5.32017792e-03]
 domain=1 type=reduced absorption
-[9.15806809e-03 9.50890834e-02]
-[1.02286279e-03 9.51211716e-03]
+[7.88836875e-03 9.52195503e-02]
+[7.77877367e-04 5.32017792e-03]
 domain=1 type=capture
-[6.76780024e-03 4.04282690e-02]
-[1.01848835e-03 8.89313901e-03]
+[5.66271991e-03 4.03380329e-02]
+[7.65494411e-04 4.41129849e-03]
 domain=1 type=fission
-[2.41424590e-03 5.46608144e-02]
-[4.85861462e-05 5.74352403e-03]
+[2.23979371e-03 5.48815174e-02]
+[1.44808204e-04 3.21965557e-03]
 domain=1 type=nu-fission
-[6.13719950e-03 1.33192007e-01]
-[1.12501202e-04 1.39952450e-02]
+[5.70078167e-03 1.33729794e-01]
+[3.71908758e-04 7.84533474e-03]
 domain=1 type=kappa-fission
-[4.70267044e+05 1.05716969e+07]
-[9.26434576e+03 1.11082859e+06]
+[4.36283087e+05 1.06143820e+07]
+[2.81939099e+04 6.22698786e+05]
 domain=1 type=scatter
-[5.52911383e-01 1.38253299e+00]
-[1.21249866e-02 1.25146938e-01]
+[5.44726693e-01 1.37270471e+00]
+[2.67443307e-02 8.86578418e-02]
 domain=1 type=nu-scatter
-[5.53262132e-01 1.38285128e+00]
-[1.67013167e-02 1.47879104e-01]
+[5.46058885e-01 1.38608802e+00]
+[2.72733439e-02 9.59957737e-02]
 domain=1 type=scatter matrix
-[[[5.38262098e-01 2.41446972e-01 9.56713637e-02 1.27736375e-02]
-  [1.50000342e-02 3.45918070e-03 -2.20959984e-03 -2.07635400e-03]]
+[[[5.25081070e-01 2.42978975e-01 9.65459393e-02 8.62265123e-03]
+  [2.09778151e-02 5.67750504e-03 -1.86093418e-03 -1.63034937e-03]]
 
  [[0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00]
-  [1.38285128e+00 3.05915919e-01 2.70982432e-02 -1.60336325e-02]]]
-[[[1.67044118e-02 6.96661310e-03 4.42653888e-03 5.36446548e-03]
-  [2.18467018e-03 6.35479378e-04 8.96740238e-04 4.72822150e-04]]
+  [1.38608802e+00 2.92665071e-01 4.65545679e-02 3.43129413e-03]]]
+[[[2.68584158e-02 1.12354079e-02 5.95151250e-03 5.08213314e-03]
+  [1.69810442e-03 1.03379654e-03 3.35798077e-04 8.28775769e-04]]
 
  [[0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00]
-  [1.47879104e-01 3.12865012e-02 2.09135204e-02 2.10640949e-02]]]
+  [9.59957737e-02 3.98634629e-02 1.79245433e-02 2.53788407e-02]]]
 domain=1 type=nu-scatter matrix
-[[[5.38262098e-01 2.41446972e-01 9.56713637e-02 1.27736375e-02]
-  [1.50000342e-02 3.45918070e-03 -2.20959984e-03 -2.07635400e-03]]
+[[[5.25081070e-01 2.42978975e-01 9.65459393e-02 8.62265123e-03]
+  [2.09778151e-02 5.67750504e-03 -1.86093418e-03 -1.63034937e-03]]
 
  [[0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00]
-  [1.38285128e+00 3.05915919e-01 2.70982432e-02 -1.60336325e-02]]]
-[[[1.67044118e-02 6.96661310e-03 4.42653888e-03 5.36446548e-03]
-  [2.18467018e-03 6.35479378e-04 8.96740238e-04 4.72822150e-04]]
+  [1.38608802e+00 2.92665071e-01 4.65545679e-02 3.43129413e-03]]]
+[[[2.68584158e-02 1.12354079e-02 5.95151250e-03 5.08213314e-03]
+  [1.69810442e-03 1.03379654e-03 3.35798077e-04 8.28775769e-04]]
 
  [[0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00]
-  [1.47879104e-01 3.12865012e-02 2.09135204e-02 2.10640949e-02]]]
+  [9.59957737e-02 3.98634629e-02 1.79245433e-02 2.53788407e-02]]]
 domain=1 type=multiplicity matrix
 [[1.00000000e+00 1.00000000e+00]
  [0.00000000e+00 1.00000000e+00]]
-[[2.96568009e-02 2.03415491e-01]
- [0.00000000e+00 1.02759493e-01]]
+[[4.49973217e-02 9.94834121e-02]
+ [0.00000000e+00 8.90267353e-02]]
 domain=1 type=nu-fission matrix
-[[4.80904641e-03 0.00000000e+00]
- [1.46971102e-01 0.00000000e+00]]
-[[7.56765200e-04 0.00000000e+00]
- [1.60726822e-02 0.00000000e+00]]
+[[6.79725552e-03 0.00000000e+00]
+ [1.34226308e-01 0.00000000e+00]]
+[[1.39232734e-03 0.00000000e+00]
+ [1.55126210e-02 0.00000000e+00]]
 domain=1 type=scatter probability matrix
-[[9.72888016e-01 2.71119843e-02]
+[[9.61583236e-01 3.84167637e-02]
  [0.00000000e+00 1.00000000e+00]]
-[[2.87160386e-02 3.94014457e-03]
- [0.00000000e+00 1.02759493e-01]]
+[[4.25251594e-02 2.94881301e-03]
+ [0.00000000e+00 8.90267353e-02]]
 domain=1 type=consistent scatter matrix
-[[[5.37920858e-01 2.41293903e-01 9.56107113e-02 1.27655394e-02]
-  [1.49905247e-02 3.45698770e-03 -2.20819902e-03 -2.07503766e-03]]
+[[[5.23800056e-01 2.42386192e-01 9.63104011e-02 8.60161499e-03]
+  [2.09266366e-02 5.66365392e-03 -1.85639416e-03 -1.62637189e-03]]
 
  [[0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00]
-  [1.38253299e+00 3.05845506e-01 2.70920060e-02 -1.60299421e-02]]]
-[[[1.97798945e-02 8.43331598e-03 4.80888930e-03 5.36697350e-03]
-  [2.20321323e-03 6.38726086e-04 8.97229401e-04 4.74291433e-04]]
+  [1.37270471e+00 2.89839256e-01 4.61050623e-02 3.39816342e-03]]]
+[[[3.46115177e-02 1.51137129e-02 7.17487890e-03 5.08248710e-03]
+  [1.90677851e-03 1.05813829e-03 3.43862086e-04 8.29548315e-04]]
 
  [[0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00]
-  [1.89328242e-01 4.07787000e-02 2.10367544e-02 2.11038436e-02]]]
+  [1.50979688e-01 4.66032426e-02 1.81833349e-02 2.51354735e-02]]]
 domain=1 type=consistent nu-scatter matrix
-[[[5.37920858e-01 2.41293903e-01 9.56107113e-02 1.27655394e-02]
-  [1.49905247e-02 3.45698770e-03 -2.20819902e-03 -2.07503766e-03]]
+[[[5.23800056e-01 2.42386192e-01 9.63104011e-02 8.60161499e-03]
+  [2.09266366e-02 5.66365392e-03 -1.85639416e-03 -1.62637189e-03]]
 
  [[0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00]
-  [1.38253299e+00 3.05845506e-01 2.70920060e-02 -1.60299421e-02]]]
-[[[2.54114701e-02 1.10602545e-02 5.58260879e-03 5.38030958e-03]
-  [3.76196879e-03 9.49983195e-04 1.00338675e-03 6.34914473e-04]]
+  [1.37270471e+00 2.89839256e-01 4.61050623e-02 3.39816342e-03]]]
+[[[4.18746126e-02 1.86381616e-02 8.38211969e-03 5.09720340e-03]
+  [2.82310416e-03 1.19879975e-03 3.90317811e-04 8.45179676e-04]]
 
  [[0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00]
-  [2.36703634e-01 5.14845104e-02 2.12201666e-02 2.11680319e-02]]]
+  [1.94240879e-01 5.32698778e-02 1.86408495e-02 2.51372940e-02]]]
 domain=1 type=chi
 [1.00000000e+00 0.00000000e+00]
-[8.07756455e-02 0.00000000e+00]
+[1.03333203e-01 0.00000000e+00]
 domain=1 type=chi-prompt
 [1.00000000e+00 0.00000000e+00]
-[8.07424611e-02 0.00000000e+00]
+[1.03333203e-01 0.00000000e+00]
 domain=1 type=inverse-velocity
-[5.93309775e-08 2.99151502e-06]
-[3.31163250e-09 2.75469881e-07]
+[5.72461488e-08 3.00999716e-06]
+[2.80644406e-09 1.80993425e-07]
 domain=1 type=prompt-nu-fission
-[6.07803967e-03 1.32325631e-01]
-[1.12229103e-04 1.39042100e-02]
+[5.64594959e-03 1.32859920e-01]
+[3.68364598e-04 7.79430310e-03]
 domain=1 type=prompt-nu-fission matrix
-[[4.80904641e-03 0.00000000e+00]
- [1.44441596e-01 0.00000000e+00]]
-[[7.56765200e-04 0.00000000e+00]
- [1.55945206e-02 0.00000000e+00]]
+[[6.79725552e-03 0.00000000e+00]
+ [1.34226308e-01 0.00000000e+00]]
+[[1.39232734e-03 0.00000000e+00]
+ [1.55126210e-02 0.00000000e+00]]
 domain=1 type=current
-[[[0.00000000e+00 0.00000000e+00 3.87200000e+00 3.85800000e+00
-   0.00000000e+00 0.00000000e+00 3.79800000e+00 3.79400000e+00]
-  [0.00000000e+00 0.00000000e+00 6.14000000e-01 6.62000000e-01
-   0.00000000e+00 0.00000000e+00 6.38000000e-01 6.12000000e-01]]
+[[[0.00000000e+00 0.00000000e+00 3.54200000e+00 3.59000000e+00
+   0.00000000e+00 0.00000000e+00 3.73400000e+00 3.69000000e+00]
+  [0.00000000e+00 0.00000000e+00 7.08000000e-01 6.90000000e-01
+   0.00000000e+00 0.00000000e+00 6.78000000e-01 6.74000000e-01]]
 
- [[3.85800000e+00 3.87200000e+00 0.00000000e+00 0.00000000e+00
-   0.00000000e+00 0.00000000e+00 3.87000000e+00 3.85400000e+00]
-  [6.62000000e-01 6.14000000e-01 0.00000000e+00 0.00000000e+00
-   0.00000000e+00 0.00000000e+00 6.56000000e-01 6.94000000e-01]]
+ [[3.59000000e+00 3.54200000e+00 0.00000000e+00 0.00000000e+00
+   0.00000000e+00 0.00000000e+00 3.65200000e+00 3.73800000e+00]
+  [6.90000000e-01 7.08000000e-01 0.00000000e+00 0.00000000e+00
+   0.00000000e+00 0.00000000e+00 6.94000000e-01 6.64000000e-01]]
 
- [[0.00000000e+00 0.00000000e+00 3.77200000e+00 3.82200000e+00
-   3.79400000e+00 3.79800000e+00 0.00000000e+00 0.00000000e+00]
-  [0.00000000e+00 0.00000000e+00 7.08000000e-01 6.38000000e-01
-   6.12000000e-01 6.38000000e-01 0.00000000e+00 0.00000000e+00]]
+ [[0.00000000e+00 0.00000000e+00 3.76000000e+00 3.66600000e+00
+   3.69000000e+00 3.73400000e+00 0.00000000e+00 0.00000000e+00]
+  [0.00000000e+00 0.00000000e+00 6.68000000e-01 7.22000000e-01
+   6.74000000e-01 6.78000000e-01 0.00000000e+00 0.00000000e+00]]
 
- [[3.82200000e+00 3.77200000e+00 0.00000000e+00 0.00000000e+00
-   3.85400000e+00 3.87000000e+00 0.00000000e+00 0.00000000e+00]
-  [6.38000000e-01 7.08000000e-01 0.00000000e+00 0.00000000e+00
-   6.94000000e-01 6.56000000e-01 0.00000000e+00 0.00000000e+00]]]
-[[[0.00000000e+00 0.00000000e+00 1.14952164e-01 1.04661359e-01
-   0.00000000e+00 0.00000000e+00 5.36097006e-02 1.14873844e-01]
-  [0.00000000e+00 0.00000000e+00 5.81893461e-02 6.31981012e-02
-   0.00000000e+00 0.00000000e+00 3.61109402e-02 1.98494332e-02]]
+ [[3.66600000e+00 3.76000000e+00 0.00000000e+00 0.00000000e+00
+   3.73800000e+00 3.65200000e+00 0.00000000e+00 0.00000000e+00]
+  [7.22000000e-01 6.68000000e-01 0.00000000e+00 0.00000000e+00
+   6.64000000e-01 6.94000000e-01 0.00000000e+00 0.00000000e+00]]]
+[[[0.00000000e+00 0.00000000e+00 1.04230514e-01 1.61183126e-01
+   0.00000000e+00 0.00000000e+00 1.50419414e-01 1.00498756e-01]
+  [0.00000000e+00 0.00000000e+00 2.47790234e-02 3.27108545e-02
+   0.00000000e+00 0.00000000e+00 4.84148737e-02 3.24961536e-02]]
 
- [[1.04661359e-01 1.14952164e-01 0.00000000e+00 0.00000000e+00
-   0.00000000e+00 0.00000000e+00 1.52643375e-01 1.35003704e-01]
-  [6.31981012e-02 5.81893461e-02 0.00000000e+00 0.00000000e+00
-   0.00000000e+00 0.00000000e+00 6.66783323e-02 7.95361553e-02]]
+ [[1.61183126e-01 1.04230514e-01 0.00000000e+00 0.00000000e+00
+   0.00000000e+00 0.00000000e+00 1.44201248e-01 1.81229137e-01]
+  [3.27108545e-02 2.47790234e-02 0.00000000e+00 0.00000000e+00
+   0.00000000e+00 0.00000000e+00 3.41467422e-02 2.20454077e-02]]
 
- [[0.00000000e+00 0.00000000e+00 1.58946532e-01 1.20971071e-01
-   1.14873844e-01 5.36097006e-02 0.00000000e+00 0.00000000e+00]
-  [0.00000000e+00 0.00000000e+00 3.48425028e-02 2.08326667e-02
-   1.98494332e-02 3.61109402e-02 0.00000000e+00 0.00000000e+00]]
+ [[0.00000000e+00 0.00000000e+00 1.39355660e-01 9.70875893e-02
+   1.00498756e-01 1.50419414e-01 0.00000000e+00 0.00000000e+00]
+  [0.00000000e+00 0.00000000e+00 1.56204994e-02 3.27719392e-02
+   3.24961536e-02 4.84148737e-02 0.00000000e+00 0.00000000e+00]]
 
- [[1.20971071e-01 1.58946532e-01 0.00000000e+00 0.00000000e+00
-   1.35003704e-01 1.52643375e-01 0.00000000e+00 0.00000000e+00]
-  [2.08326667e-02 3.48425028e-02 0.00000000e+00 0.00000000e+00
-   7.95361553e-02 6.66783323e-02 0.00000000e+00 0.00000000e+00]]]
+ [[9.70875893e-02 1.39355660e-01 0.00000000e+00 0.00000000e+00
+   1.81229137e-01 1.44201248e-01 0.00000000e+00 0.00000000e+00]
+  [3.27719392e-02 1.56204994e-02 0.00000000e+00 0.00000000e+00
+   2.20454077e-02 3.41467422e-02 0.00000000e+00 0.00000000e+00]]]
 domain=1 type=diffusion-coefficient
-[1.03956656e+00 2.89572488e-01]
-[4.66257756e-02 3.47571359e-02]
+[1.07648340e+00 2.91048451e-01]
+[1.02946730e-01 2.59101197e-02]
 domain=1 type=nu-diffusion-coefficient
-[1.03956656e+00 2.89572488e-01]
-[4.66257756e-02 3.47571359e-02]
+[1.07648340e+00 2.91048451e-01]
+[1.02946730e-01 2.59101197e-02]
 domain=1 type=delayed-nu-fission
-[[1.37840363e-06 3.03296462e-05]
- [8.45663047e-06 1.56552364e-04]
- [8.84043266e-06 1.49458552e-04]
- [2.28234463e-05 3.35098665e-04]
- [1.25147617e-05 1.37385990e-04]
- [5.13410858e-06 5.75504990e-05]]
-[[2.55826273e-08 3.18690909e-06]
- [1.59619691e-07 1.64498503e-05]
- [2.08725713e-07 1.57044628e-05]
- [7.35913253e-07 3.52107280e-05]
- [6.08970534e-07 1.44359288e-05]
- [2.44376821e-07 6.04715887e-06]]
+[[1.27862358e-06 3.04521075e-05]
+ [7.84219053e-06 1.57184471e-04]
+ [8.19703020e-06 1.50062017e-04]
+ [2.11585246e-05 3.36451683e-04]
+ [1.15983232e-05 1.37940708e-04]
+ [4.75823112e-06 5.77828684e-05]]
+[[8.24665595e-08 1.78649023e-06]
+ [5.11270396e-07 9.22131636e-06]
+ [5.43215007e-07 8.80347339e-06]
+ [1.44919046e-06 1.97381285e-05]
+ [8.56858673e-07 8.09236929e-06]
+ [3.49663884e-07 3.38986452e-06]]
 domain=1 type=chi-delayed
 [[0.00000000e+00 0.00000000e+00]
  [0.00000000e+00 0.00000000e+00]
  [0.00000000e+00 0.00000000e+00]
- [1.00000000e+00 0.00000000e+00]
- [1.00000000e+00 0.00000000e+00]
+ [0.00000000e+00 0.00000000e+00]
+ [0.00000000e+00 0.00000000e+00]
  [0.00000000e+00 0.00000000e+00]]
 [[0.00000000e+00 0.00000000e+00]
  [0.00000000e+00 0.00000000e+00]
  [0.00000000e+00 0.00000000e+00]
- [1.41421356e+00 0.00000000e+00]
- [1.41421356e+00 0.00000000e+00]
+ [0.00000000e+00 0.00000000e+00]
+ [0.00000000e+00 0.00000000e+00]
  [0.00000000e+00 0.00000000e+00]]
 domain=1 type=beta
-[[2.24598146e-04 2.27713712e-04]
- [1.37792986e-03 1.17538858e-03]
- [1.44046689e-03 1.12212854e-03]
- [3.71886987e-03 2.51590672e-03]
- [2.03916489e-03 1.03148825e-03]
- [8.36555595e-04 4.32086733e-04]]
-[[2.89454288e-06 2.65002712e-05]
- [1.83788053e-05 1.36786298e-04]
- [2.80459046e-05 1.30588139e-04]
- [1.09140523e-04 2.92789605e-04]
- [9.54156078e-05 1.20039834e-04]
- [3.82194001e-05 5.02842563e-05]]
+[[2.24289169e-04 2.27713711e-04]
+ [1.37563425e-03 1.17538857e-03]
+ [1.43787829e-03 1.12212853e-03]
+ [3.71151288e-03 2.51590669e-03]
+ [2.03451453e-03 1.03148823e-03]
+ [8.34662928e-04 4.32086724e-04]]
+[[1.75760869e-05 1.28957660e-05]
+ [1.08591736e-04 6.65640010e-05]
+ [1.14785004e-04 6.35478047e-05]
+ [3.03169937e-04 1.42479528e-04]
+ [1.75476030e-04 5.84147049e-05]
+ [7.17094876e-05 2.44697107e-05]]
 domain=1 type=decay-rate
-[1.33568264e-02 3.25888950e-02 1.21105369e-01 3.06137651e-01
- 8.62756682e-01 2.89786766e+00]
-[1.25011470e-03 2.88396059e-03 1.03002481e-02 2.44903689e-02
- 6.13119717e-02 2.07581680e-01]
+[1.33535692e-02 3.26115957e-02 1.21057117e-01 3.05655911e-01
+ 8.60999995e-01 2.89188863e+00]
+[6.74373067e-04 1.71978136e-03 6.57917554e-03 1.73982053e-02
+ 5.37683207e-02 1.79407115e-01]
 domain=1 type=delayed-nu-fission matrix
 [[[0.00000000e+00 0.00000000e+00]
   [0.00000000e+00 0.00000000e+00]]
@@ -207,10 +207,10 @@ domain=1 type=delayed-nu-fission matrix
   [0.00000000e+00 0.00000000e+00]]
 
  [[0.00000000e+00 0.00000000e+00]
-  [1.19201367e-03 0.00000000e+00]]
+  [0.00000000e+00 0.00000000e+00]]
 
  [[0.00000000e+00 0.00000000e+00]
-  [1.33749216e-03 0.00000000e+00]]
+  [0.00000000e+00 0.00000000e+00]]
 
  [[0.00000000e+00 0.00000000e+00]
   [0.00000000e+00 0.00000000e+00]]]
@@ -224,10 +224,10 @@ domain=1 type=delayed-nu-fission matrix
   [0.00000000e+00 0.00000000e+00]]
 
  [[0.00000000e+00 0.00000000e+00]
-  [1.19567703e-03 0.00000000e+00]]
+  [0.00000000e+00 0.00000000e+00]]
 
  [[0.00000000e+00 0.00000000e+00]
-  [1.34160260e-03 0.00000000e+00]]
+  [0.00000000e+00 0.00000000e+00]]
 
  [[0.00000000e+00 0.00000000e+00]
   [0.00000000e+00 0.00000000e+00]]]
diff --git a/tests/regression_tests/mgxs_library_histogram/results_true.dat b/tests/regression_tests/mgxs_library_histogram/results_true.dat
index 74ae456e5..2fa94cef5 100644
--- a/tests/regression_tests/mgxs_library_histogram/results_true.dat
+++ b/tests/regression_tests/mgxs_library_histogram/results_true.dat
@@ -1,25 +1,25 @@
     material  group in  group out  mu bin nuclide      mean  std. dev.
-33         1         1          1       1   total  0.028385   0.002919
-34         1         1          1       2   total  0.031890   0.001548
-35         1         1          1       3   total  0.027684   0.002596
-36         1         1          1       4   total  0.035920   0.003337
-37         1         1          1       5   total  0.034343   0.001897
-38         1         1          1       6   total  0.032591   0.002289
-39         1         1          1       7   total  0.033467   0.002209
-40         1         1          1       8   total  0.031714   0.002398
-41         1         1          1       9   total  0.033467   0.003343
-42         1         1          1      10   total  0.041001   0.002362
-43         1         1          1      11   total  0.060801   0.003580
+33         1         1          1       1   total  0.032861   0.003703
+34         1         1          1       2   total  0.026428   0.003637
+35         1         1          1       3   total  0.029210   0.001648
+36         1         1          1       4   total  0.032513   0.004770
+37         1         1          1       5   total  0.030949   0.003129
+38         1         1          1       6   total  0.027124   0.004029
+39         1         1          1       7   total  0.030079   0.002186
+40         1         1          1       8   total  0.037034   0.002198
+41         1         1          1       9   total  0.038251   0.003825
+42         1         1          1      10   total  0.039294   0.003626
+43         1         1          1      11   total  0.062593   0.005934
 22         1         1          2       1   total  0.000000   0.000000
-23         1         1          2       2   total  0.000350   0.000351
-24         1         1          2       3   total  0.000175   0.000175
-25         1         1          2       4   total  0.000000   0.000000
-26         1         1          2       5   total  0.000175   0.000175
+23         1         1          2       2   total  0.000174   0.000174
+24         1         1          2       3   total  0.000348   0.000213
+25         1         1          2       4   total  0.000174   0.000174
+26         1         1          2       5   total  0.000000   0.000000
 27         1         1          2       6   total  0.000000   0.000000
 28         1         1          2       7   total  0.000000   0.000000
 29         1         1          2       8   total  0.000000   0.000000
 30         1         1          2       9   total  0.000000   0.000000
-31         1         1          2      10   total  0.000175   0.000175
+31         1         1          2      10   total  0.000000   0.000000
 32         1         1          2      11   total  0.000000   0.000000
 11         1         2          1       1   total  0.000000   0.000000
 12         1         2          1       2   total  0.000000   0.000000
@@ -32,39 +32,39 @@
 19         1         2          1       9   total  0.000000   0.000000
 20         1         2          1      10   total  0.000000   0.000000
 21         1         2          1      11   total  0.000000   0.000000
-0          1         2          2       1   total  0.023599   0.005270
-1          1         2          2       2   total  0.036471   0.008401
-2          1         2          2       3   total  0.034325   0.003271
-3          1         2          2       4   total  0.030035   0.003674
-4          1         2          2       5   total  0.039688   0.001478
-5          1         2          2       6   total  0.033253   0.005499
-6          1         2          2       7   total  0.039688   0.004725
-7          1         2          2       8   total  0.031107   0.006458
-8          1         2          2       9   total  0.031107   0.005996
-9          1         2          2      10   total  0.052560   0.005543
-10         1         2          2      11   total  0.033253   0.002688
+0          1         2          2       1   total  0.032383   0.006826
+1          1         2          2       2   total  0.037146   0.001158
+2          1         2          2       3   total  0.036193   0.004463
+3          1         2          2       4   total  0.036193   0.007028
+4          1         2          2       5   total  0.038098   0.006769
+5          1         2          2       6   total  0.024764   0.004638
+6          1         2          2       7   total  0.034288   0.008049
+7          1         2          2       8   total  0.040003   0.007350
+8          1         2          2       9   total  0.032383   0.003211
+9          1         2          2      10   total  0.050480   0.005824
+10         1         2          2      11   total  0.045718   0.013291
     material  group in  group out  mu bin nuclide      mean  std. dev.
-33         1         1          1       1   total  0.028385   0.002919
-34         1         1          1       2   total  0.031890   0.001548
-35         1         1          1       3   total  0.027860   0.002738
-36         1         1          1       4   total  0.035920   0.003337
-37         1         1          1       5   total  0.034343   0.001897
-38         1         1          1       6   total  0.032591   0.002289
-39         1         1          1       7   total  0.033467   0.002209
-40         1         1          1       8   total  0.031714   0.002398
-41         1         1          1       9   total  0.033467   0.003343
-42         1         1          1      10   total  0.041001   0.002362
-43         1         1          1      11   total  0.060801   0.003580
+33         1         1          1       1   total  0.032861   0.003703
+34         1         1          1       2   total  0.026428   0.003637
+35         1         1          1       3   total  0.029210   0.001648
+36         1         1          1       4   total  0.032513   0.004770
+37         1         1          1       5   total  0.030949   0.003129
+38         1         1          1       6   total  0.027124   0.004029
+39         1         1          1       7   total  0.030079   0.002186
+40         1         1          1       8   total  0.037034   0.002198
+41         1         1          1       9   total  0.038251   0.003825
+42         1         1          1      10   total  0.039294   0.003626
+43         1         1          1      11   total  0.062593   0.005934
 22         1         1          2       1   total  0.000000   0.000000
-23         1         1          2       2   total  0.000350   0.000351
-24         1         1          2       3   total  0.000175   0.000175
-25         1         1          2       4   total  0.000000   0.000000
-26         1         1          2       5   total  0.000175   0.000175
+23         1         1          2       2   total  0.000174   0.000174
+24         1         1          2       3   total  0.000348   0.000213
+25         1         1          2       4   total  0.000174   0.000174
+26         1         1          2       5   total  0.000000   0.000000
 27         1         1          2       6   total  0.000000   0.000000
 28         1         1          2       7   total  0.000000   0.000000
 29         1         1          2       8   total  0.000000   0.000000
 30         1         1          2       9   total  0.000000   0.000000
-31         1         1          2      10   total  0.000175   0.000175
+31         1         1          2      10   total  0.000000   0.000000
 32         1         1          2      11   total  0.000000   0.000000
 11         1         2          1       1   total  0.000000   0.000000
 12         1         2          1       2   total  0.000000   0.000000
@@ -77,39 +77,39 @@
 19         1         2          1       9   total  0.000000   0.000000
 20         1         2          1      10   total  0.000000   0.000000
 21         1         2          1      11   total  0.000000   0.000000
-0          1         2          2       1   total  0.023599   0.005270
-1          1         2          2       2   total  0.036471   0.008401
-2          1         2          2       3   total  0.034325   0.003271
-3          1         2          2       4   total  0.030035   0.003674
-4          1         2          2       5   total  0.039688   0.001478
-5          1         2          2       6   total  0.033253   0.005499
-6          1         2          2       7   total  0.039688   0.004725
-7          1         2          2       8   total  0.031107   0.006458
-8          1         2          2       9   total  0.031107   0.005996
-9          1         2          2      10   total  0.052560   0.005543
-10         1         2          2      11   total  0.033253   0.002688
+0          1         2          2       1   total  0.032383   0.006826
+1          1         2          2       2   total  0.037146   0.001158
+2          1         2          2       3   total  0.036193   0.004463
+3          1         2          2       4   total  0.036193   0.007028
+4          1         2          2       5   total  0.038098   0.006769
+5          1         2          2       6   total  0.024764   0.004638
+6          1         2          2       7   total  0.034288   0.008049
+7          1         2          2       8   total  0.040003   0.007350
+8          1         2          2       9   total  0.032383   0.003211
+9          1         2          2      10   total  0.050480   0.005824
+10         1         2          2      11   total  0.045718   0.013291
     material  group in  group out  mu bin nuclide      mean  std. dev.
-33         1         1          1       1   total  0.028162   0.003056
-34         1         1          1       2   total  0.031639   0.001886
-35         1         1          1       3   total  0.027466   0.002746
-36         1         1          1       4   total  0.035637   0.003533
-37         1         1          1       5   total  0.034072   0.002221
-38         1         1          1       6   total  0.032334   0.002532
-39         1         1          1       7   total  0.033203   0.002475
-40         1         1          1       8   total  0.031465   0.002617
-41         1         1          1       9   total  0.033203   0.003510
-42         1         1          1      10   total  0.040678   0.002734
-43         1         1          1      11   total  0.060322   0.004120
+33         1         1          1       1   total  0.032927   0.003848
+34         1         1          1       2   total  0.026481   0.003736
+35         1         1          1       3   total  0.029268   0.001884
+36         1         1          1       4   total  0.032578   0.004885
+37         1         1          1       5   total  0.031010   0.003280
+38         1         1          1       6   total  0.027177   0.004124
+39         1         1          1       7   total  0.030139   0.002382
+40         1         1          1       8   total  0.037108   0.002485
+41         1         1          1       9   total  0.038327   0.004013
+42         1         1          1      10   total  0.039372   0.003833
+43         1         1          1      11   total  0.062717   0.006256
 22         1         1          2       1   total  0.000000   0.000000
-23         1         1          2       2   total  0.000348   0.000348
-24         1         1          2       3   total  0.000174   0.000174
-25         1         1          2       4   total  0.000000   0.000000
-26         1         1          2       5   total  0.000174   0.000174
+23         1         1          2       2   total  0.000174   0.000174
+24         1         1          2       3   total  0.000348   0.000214
+25         1         1          2       4   total  0.000174   0.000174
+26         1         1          2       5   total  0.000000   0.000000
 27         1         1          2       6   total  0.000000   0.000000
 28         1         1          2       7   total  0.000000   0.000000
 29         1         1          2       8   total  0.000000   0.000000
 30         1         1          2       9   total  0.000000   0.000000
-31         1         1          2      10   total  0.000174   0.000174
+31         1         1          2      10   total  0.000000   0.000000
 32         1         1          2      11   total  0.000000   0.000000
 11         1         2          1       1   total  0.000000   0.000000
 12         1         2          1       2   total  0.000000   0.000000
@@ -122,39 +122,39 @@
 19         1         2          1       9   total  0.000000   0.000000
 20         1         2          1      10   total  0.000000   0.000000
 21         1         2          1      11   total  0.000000   0.000000
-0          1         2          2       1   total  0.024246   0.005837
-1          1         2          2       2   total  0.037470   0.009265
-2          1         2          2       3   total  0.035266   0.004620
-3          1         2          2       4   total  0.030858   0.004684
-4          1         2          2       5   total  0.040777   0.003968
-5          1         2          2       6   total  0.034164   0.006431
-6          1         2          2       7   total  0.040777   0.006083
-7          1         2          2       8   total  0.031960   0.007230
-8          1         2          2       9   total  0.031960   0.006797
-9          1         2          2      10   total  0.054002   0.007483
-10         1         2          2      11   total  0.034164   0.004130
+0          1         2          2       1   total  0.031440   0.006860
+1          1         2          2       2   total  0.036063   0.002322
+2          1         2          2       3   total  0.035138   0.004763
+3          1         2          2       4   total  0.035138   0.007105
+4          1         2          2       5   total  0.036988   0.006894
+5          1         2          2       6   total  0.024042   0.004702
+6          1         2          2       7   total  0.033289   0.008036
+7          1         2          2       8   total  0.038837   0.007464
+8          1         2          2       9   total  0.031440   0.003585
+9          1         2          2      10   total  0.049009   0.006292
+10         1         2          2      11   total  0.044385   0.013144
     material  group in  group out  mu bin nuclide      mean  std. dev.
-33         1         1          1       1   total  0.028174   0.003144
-34         1         1          1       2   total  0.031653   0.002058
-35         1         1          1       3   total  0.027479   0.002838
-36         1         1          1       4   total  0.035653   0.003654
-37         1         1          1       5   total  0.034088   0.002392
-38         1         1          1       6   total  0.032348   0.002668
-39         1         1          1       7   total  0.033218   0.002621
-40         1         1          1       8   total  0.031479   0.002742
-41         1         1          1       9   total  0.033218   0.003616
-42         1         1          1      10   total  0.040696   0.002931
-43         1         1          1      11   total  0.060349   0.004409
+33         1         1          1       1   total  0.032927   0.004236
+34         1         1          1       2   total  0.026481   0.003998
+35         1         1          1       3   total  0.029268   0.002455
+36         1         1          1       4   total  0.032578   0.005190
+37         1         1          1       5   total  0.031010   0.003679
+38         1         1          1       6   total  0.027177   0.004376
+39         1         1          1       7   total  0.030139   0.002881
+40         1         1          1       8   total  0.037108   0.003187
+41         1         1          1       9   total  0.038327   0.004511
+42         1         1          1      10   total  0.039372   0.004379
+43         1         1          1      11   total  0.062717   0.007108
 22         1         1          2       1   total  0.000000   0.000000
-23         1         1          2       2   total  0.000348   0.000451
-24         1         1          2       3   total  0.000174   0.000225
-25         1         1          2       4   total  0.000000   0.000000
-26         1         1          2       5   total  0.000174   0.000225
+23         1         1          2       2   total  0.000174   0.000209
+24         1         1          2       3   total  0.000348   0.000315
+25         1         1          2       4   total  0.000174   0.000209
+26         1         1          2       5   total  0.000000   0.000000
 27         1         1          2       6   total  0.000000   0.000000
 28         1         1          2       7   total  0.000000   0.000000
 29         1         1          2       8   total  0.000000   0.000000
 30         1         1          2       9   total  0.000000   0.000000
-31         1         1          2      10   total  0.000174   0.000225
+31         1         1          2      10   total  0.000000   0.000000
 32         1         1          2      11   total  0.000000   0.000000
 11         1         2          1       1   total  0.000000   0.000000
 12         1         2          1       2   total  0.000000   0.000000
@@ -167,29 +167,29 @@
 19         1         2          1       9   total  0.000000   0.000000
 20         1         2          1      10   total  0.000000   0.000000
 21         1         2          1      11   total  0.000000   0.000000
-0          1         2          2       1   total  0.024246   0.006112
-1          1         2          2       2   total  0.037470   0.009679
-2          1         2          2       3   total  0.035266   0.005319
-3          1         2          2       4   total  0.030858   0.005221
-4          1         2          2       5   total  0.040777   0.005003
-5          1         2          2       6   total  0.034164   0.006919
-6          1         2          2       7   total  0.040777   0.006803
-7          1         2          2       8   total  0.031960   0.007614
-8          1         2          2       9   total  0.031960   0.007205
-9          1         2          2      10   total  0.054002   0.008502
-10         1         2          2      11   total  0.034164   0.004856
+0          1         2          2       1   total  0.031440   0.007170
+1          1         2          2       2   total  0.036063   0.003334
+2          1         2          2       3   total  0.035138   0.005303
+3          1         2          2       4   total  0.035138   0.007478
+4          1         2          2       5   total  0.036988   0.007318
+5          1         2          2       6   total  0.024042   0.004965
+6          1         2          2       7   total  0.033289   0.008334
+7          1         2          2       8   total  0.038837   0.007896
+8          1         2          2       9   total  0.031440   0.004148
+9          1         2          2      10   total  0.049009   0.007083
+10         1         2          2      11   total  0.044385   0.013469
     material  group in  group out  mu bin nuclide      mean  std. dev.
-33         2         1          1       1   total  0.025262   0.003309
-34         2         1          1       2   total  0.023805   0.004083
-35         2         1          1       3   total  0.027205   0.001631
-36         2         1          1       4   total  0.021376   0.003175
-37         2         1          1       5   total  0.017489   0.002412
-38         2         1          1       6   total  0.024291   0.002862
-39         2         1          1       7   total  0.029634   0.005250
-40         2         1          1       8   total  0.025262   0.001228
-41         2         1          1       9   total  0.028663   0.003403
-42         2         1          1      10   total  0.034493   0.004425
-43         2         1          1      11   total  0.052467   0.006227
+33         2         1          1       1   total  0.026798   0.002892
+34         2         1          1       2   total  0.021339   0.003475
+35         2         1          1       3   total  0.021835   0.003963
+36         2         1          1       4   total  0.018361   0.006133
+37         2         1          1       5   total  0.023820   0.003932
+38         2         1          1       6   total  0.025805   0.003808
+39         2         1          1       7   total  0.026798   0.002299
+40         2         1          1       8   total  0.029279   0.003939
+41         2         1          1       9   total  0.034738   0.004323
+42         2         1          1      10   total  0.032753   0.006086
+43         2         1          1      11   total  0.057069   0.003798
 22         2         1          2       1   total  0.000000   0.000000
 23         2         1          2       2   total  0.000000   0.000000
 24         2         1          2       3   total  0.000000   0.000000
@@ -199,7 +199,7 @@
 28         2         1          2       7   total  0.000000   0.000000
 29         2         1          2       8   total  0.000000   0.000000
 30         2         1          2       9   total  0.000000   0.000000
-31         2         1          2      10   total  0.000486   0.000486
+31         2         1          2      10   total  0.000000   0.000000
 32         2         1          2      11   total  0.000000   0.000000
 11         2         2          1       1   total  0.000000   0.000000
 12         2         2          1       2   total  0.000000   0.000000
@@ -212,29 +212,29 @@
 19         2         2          1       9   total  0.000000   0.000000
 20         2         2          1      10   total  0.000000   0.000000
 21         2         2          1      11   total  0.000000   0.000000
-0          2         2          2       1   total  0.032689   0.010313
-1          2         2          2       2   total  0.035958   0.011071
-2          2         2          2       3   total  0.019614   0.012398
-3          2         2          2       4   total  0.022883   0.009072
-4          2         2          2       5   total  0.009807   0.009926
-5          2         2          2       6   total  0.029420   0.011781
-6          2         2          2       7   total  0.032689   0.014602
-7          2         2          2       8   total  0.019614   0.006844
-8          2         2          2       9   total  0.032689   0.010313
-9          2         2          2      10   total  0.022883   0.009072
-10         2         2          2      11   total  0.029420   0.005650
+0          2         2          2       1   total  0.032254   0.009449
+1          2         2          2       2   total  0.018815   0.005569
+2          2         2          2       3   total  0.032254   0.009449
+3          2         2          2       4   total  0.024191   0.006844
+4          2         2          2       5   total  0.013439   0.008563
+5          2         2          2       6   total  0.024191   0.005365
+6          2         2          2       7   total  0.043005   0.010420
+7          2         2          2       8   total  0.032254   0.012710
+8          2         2          2       9   total  0.034942   0.007365
+9          2         2          2      10   total  0.021503   0.007051
+10         2         2          2      11   total  0.018815   0.008193
     material  group in  group out  mu bin nuclide      mean  std. dev.
-33         2         1          1       1   total  0.025262   0.003309
-34         2         1          1       2   total  0.023805   0.004083
-35         2         1          1       3   total  0.027205   0.001631
-36         2         1          1       4   total  0.021376   0.003175
-37         2         1          1       5   total  0.017489   0.002412
-38         2         1          1       6   total  0.024291   0.002862
-39         2         1          1       7   total  0.029634   0.005250
-40         2         1          1       8   total  0.025262   0.001228
-41         2         1          1       9   total  0.028663   0.003403
-42         2         1          1      10   total  0.034493   0.004425
-43         2         1          1      11   total  0.052467   0.006227
+33         2         1          1       1   total  0.026798   0.002892
+34         2         1          1       2   total  0.021339   0.003475
+35         2         1          1       3   total  0.021835   0.003963
+36         2         1          1       4   total  0.018361   0.006133
+37         2         1          1       5   total  0.023820   0.003932
+38         2         1          1       6   total  0.025805   0.003808
+39         2         1          1       7   total  0.026798   0.002299
+40         2         1          1       8   total  0.029279   0.003939
+41         2         1          1       9   total  0.034738   0.004323
+42         2         1          1      10   total  0.032753   0.006086
+43         2         1          1      11   total  0.057069   0.003798
 22         2         1          2       1   total  0.000000   0.000000
 23         2         1          2       2   total  0.000000   0.000000
 24         2         1          2       3   total  0.000000   0.000000
@@ -244,7 +244,7 @@
 28         2         1          2       7   total  0.000000   0.000000
 29         2         1          2       8   total  0.000000   0.000000
 30         2         1          2       9   total  0.000000   0.000000
-31         2         1          2      10   total  0.000486   0.000486
+31         2         1          2      10   total  0.000000   0.000000
 32         2         1          2      11   total  0.000000   0.000000
 11         2         2          1       1   total  0.000000   0.000000
 12         2         2          1       2   total  0.000000   0.000000
@@ -257,29 +257,29 @@
 19         2         2          1       9   total  0.000000   0.000000
 20         2         2          1      10   total  0.000000   0.000000
 21         2         2          1      11   total  0.000000   0.000000
-0          2         2          2       1   total  0.032689   0.010313
-1          2         2          2       2   total  0.035958   0.011071
-2          2         2          2       3   total  0.019614   0.012398
-3          2         2          2       4   total  0.022883   0.009072
-4          2         2          2       5   total  0.009807   0.009926
-5          2         2          2       6   total  0.029420   0.011781
-6          2         2          2       7   total  0.032689   0.014602
-7          2         2          2       8   total  0.019614   0.006844
-8          2         2          2       9   total  0.032689   0.010313
-9          2         2          2      10   total  0.022883   0.009072
-10         2         2          2      11   total  0.029420   0.005650
+0          2         2          2       1   total  0.032254   0.009449
+1          2         2          2       2   total  0.018815   0.005569
+2          2         2          2       3   total  0.032254   0.009449
+3          2         2          2       4   total  0.024191   0.006844
+4          2         2          2       5   total  0.013439   0.008563
+5          2         2          2       6   total  0.024191   0.005365
+6          2         2          2       7   total  0.043005   0.010420
+7          2         2          2       8   total  0.032254   0.012710
+8          2         2          2       9   total  0.034942   0.007365
+9          2         2          2      10   total  0.021503   0.007051
+10         2         2          2      11   total  0.018815   0.008193
     material  group in  group out  mu bin nuclide      mean  std. dev.
-33         2         1          1       1   total  0.025312   0.003469
-34         2         1          1       2   total  0.023852   0.004203
-35         2         1          1       3   total  0.027259   0.001971
-36         2         1          1       4   total  0.021418   0.003297
-37         2         1          1       5   total  0.017524   0.002518
-38         2         1          1       6   total  0.024339   0.003032
-39         2         1          1       7   total  0.029693   0.005395
-40         2         1          1       8   total  0.025312   0.001600
-41         2         1          1       9   total  0.028719   0.003602
-42         2         1          1      10   total  0.034561   0.004648
-43         2         1          1      11   total  0.052571   0.006591
+33         2         1          1       1   total  0.026249   0.003012
+34         2         1          1       2   total  0.020902   0.003500
+35         2         1          1       3   total  0.021388   0.003971
+36         2         1          1       4   total  0.017986   0.006048
+37         2         1          1       5   total  0.023333   0.003958
+38         2         1          1       6   total  0.025277   0.003858
+39         2         1          1       7   total  0.026249   0.002473
+40         2         1          1       8   total  0.028680   0.004017
+41         2         1          1       9   total  0.034027   0.004437
+42         2         1          1      10   total  0.032082   0.006091
+43         2         1          1      11   total  0.055901   0.004311
 22         2         1          2       1   total  0.000000   0.000000
 23         2         1          2       2   total  0.000000   0.000000
 24         2         1          2       3   total  0.000000   0.000000
@@ -289,7 +289,7 @@
 28         2         1          2       7   total  0.000000   0.000000
 29         2         1          2       8   total  0.000000   0.000000
 30         2         1          2       9   total  0.000000   0.000000
-31         2         1          2      10   total  0.000487   0.000487
+31         2         1          2      10   total  0.000000   0.000000
 32         2         1          2      11   total  0.000000   0.000000
 11         2         2          1       1   total  0.000000   0.000000
 12         2         2          1       2   total  0.000000   0.000000
@@ -302,29 +302,29 @@
 19         2         2          1       9   total  0.000000   0.000000
 20         2         2          1      10   total  0.000000   0.000000
 21         2         2          1      11   total  0.000000   0.000000
-0          2         2          2       1   total  0.033560   0.010222
-1          2         2          2       2   total  0.036916   0.010953
-2          2         2          2       3   total  0.020136   0.012619
-3          2         2          2       4   total  0.023492   0.009111
-4          2         2          2       5   total  0.010068   0.010157
-5          2         2          2       6   total  0.030204   0.011837
-6          2         2          2       7   total  0.033560   0.014735
-7          2         2          2       8   total  0.020136   0.006828
-8          2         2          2       9   total  0.033560   0.010222
-9          2         2          2      10   total  0.023492   0.009111
-10         2         2          2      11   total  0.030204   0.005242
+0          2         2          2       1   total  0.032230   0.009604
+1          2         2          2       2   total  0.018801   0.005658
+2          2         2          2       3   total  0.032230   0.009604
+3          2         2          2       4   total  0.024172   0.006964
+4          2         2          2       5   total  0.013429   0.008588
+5          2         2          2       6   total  0.024172   0.005520
+6          2         2          2       7   total  0.042973   0.010671
+7          2         2          2       8   total  0.032230   0.012821
+8          2         2          2       9   total  0.034915   0.007601
+9          2         2          2      10   total  0.021486   0.007142
+10         2         2          2      11   total  0.018801   0.008251
     material  group in  group out  mu bin nuclide      mean  std. dev.
-33         2         1          1       1   total  0.025312   0.003700
-34         2         1          1       2   total  0.023852   0.004373
-35         2         1          1       3   total  0.027259   0.002407
-36         2         1          1       4   total  0.021418   0.003471
-37         2         1          1       5   total  0.017524   0.002670
-38         2         1          1       6   total  0.024339   0.003273
-39         2         1          1       7   total  0.029693   0.005602
-40         2         1          1       8   total  0.025312   0.002052
-41         2         1          1       9   total  0.028719   0.003886
-42         2         1          1      10   total  0.034561   0.004968
-43         2         1          1      11   total  0.052571   0.007110
+33         2         1          1       1   total  0.026249   0.003460
+34         2         1          1       2   total  0.020902   0.003754
+35         2         1          1       3   total  0.021388   0.004206
+36         2         1          1       4   total  0.017986   0.006160
+37         2         1          1       5   total  0.023333   0.004238
+38         2         1          1       6   total  0.025277   0.004192
+39         2         1          1       7   total  0.026249   0.003003
+40         2         1          1       8   total  0.028680   0.004427
+41         2         1          1       9   total  0.034027   0.004956
+42         2         1          1      10   total  0.032082   0.006437
+43         2         1          1      11   total  0.055901   0.005636
 22         2         1          2       1   total  0.000000   0.000000
 23         2         1          2       2   total  0.000000   0.000000
 24         2         1          2       3   total  0.000000   0.000000
@@ -334,7 +334,7 @@
 28         2         1          2       7   total  0.000000   0.000000
 29         2         1          2       8   total  0.000000   0.000000
 30         2         1          2       9   total  0.000000   0.000000
-31         2         1          2      10   total  0.000487   0.000843
+31         2         1          2      10   total  0.000000   0.000000
 32         2         1          2      11   total  0.000000   0.000000
 11         2         2          1       1   total  0.000000   0.000000
 12         2         2          1       2   total  0.000000   0.000000
@@ -347,40 +347,40 @@
 19         2         2          1       9   total  0.000000   0.000000
 20         2         2          1      10   total  0.000000   0.000000
 21         2         2          1      11   total  0.000000   0.000000
-0          2         2          2       1   total  0.033560   0.011889
-1          2         2          2       2   total  0.036916   0.012828
-2          2         2          2       3   total  0.020136   0.013135
-3          2         2          2       4   total  0.023492   0.010054
-4          2         2          2       5   total  0.010068   0.010319
-5          2         2          2       6   total  0.030204   0.013037
-6          2         2          2       7   total  0.033560   0.015937
-7          2         2          2       8   total  0.020136   0.007739
-8          2         2          2       9   total  0.033560   0.011889
-9          2         2          2      10   total  0.023492   0.010054
-10         2         2          2      11   total  0.030204   0.007573
+0          2         2          2       1   total  0.032230   0.010330
+1          2         2          2       2   total  0.018801   0.006077
+2          2         2          2       3   total  0.032230   0.010330
+3          2         2          2       4   total  0.024172   0.007526
+4          2         2          2       5   total  0.013429   0.008733
+5          2         2          2       6   total  0.024172   0.006213
+6          2         2          2       7   total  0.042973   0.011815
+7          2         2          2       8   total  0.032230   0.013373
+8          2         2          2       9   total  0.034915   0.008646
+9          2         2          2      10   total  0.021486   0.007579
+10         2         2          2      11   total  0.018801   0.008544
     material  group in  group out  mu bin nuclide      mean  std. dev.
-33         3         1          1       1   total  0.008818   0.001587
-34         3         1          1       2   total  0.006389   0.000610
-35         3         1          1       3   total  0.007288   0.000775
-36         3         1          1       4   total  0.008008   0.001111
-37         3         1          1       5   total  0.007828   0.000452
-38         3         1          1       6   total  0.011247   0.000473
-39         3         1          1       7   total  0.039411   0.002111
-40         3         1          1       8   total  0.071443   0.002082
-41         3         1          1       9   total  0.115713   0.004165
-42         3         1          1      10   total  0.164662   0.005479
-43         3         1          1      11   total  0.214060   0.006189
-22         3         1          2       1   total  0.000360   0.000090
-23         3         1          2       2   total  0.000810   0.000169
-24         3         1          2       3   total  0.000810   0.000331
-25         3         1          2       4   total  0.001440   0.000332
-26         3         1          2       5   total  0.002339   0.000267
-27         3         1          2       6   total  0.003149   0.000256
-28         3         1          2       7   total  0.004409   0.000601
-29         3         1          2       8   total  0.004139   0.000398
-30         3         1          2       9   total  0.004769   0.000639
-31         3         1          2      10   total  0.004769   0.000453
-32         3         1          2      11   total  0.002789   0.000630
+33         3         1          1       1   total  0.007006   0.000692
+34         3         1          1       2   total  0.006819   0.000431
+35         3         1          1       3   total  0.005511   0.000591
+36         3         1          1       4   total  0.006165   0.000470
+37         3         1          1       5   total  0.007660   0.000919
+38         3         1          1       6   total  0.012237   0.000938
+39         3         1          1       7   total  0.040914   0.002235
+40         3         1          1       8   total  0.074356   0.001968
+41         3         1          1       9   total  0.121622   0.004662
+42         3         1          1      10   total  0.158707   0.004147
+43         3         1          1      11   total  0.200742   0.007791
+22         3         1          2       1   total  0.000187   0.000187
+23         3         1          2       2   total  0.001028   0.000096
+24         3         1          2       3   total  0.000841   0.000176
+25         3         1          2       4   total  0.000841   0.000310
+26         3         1          2       5   total  0.001308   0.000274
+27         3         1          2       6   total  0.003736   0.000538
+28         3         1          2       7   total  0.003830   0.000703
+29         3         1          2       8   total  0.006259   0.000452
+30         3         1          2       9   total  0.005231   0.000510
+31         3         1          2      10   total  0.005044   0.000440
+32         3         1          2      11   total  0.002522   0.000194
 11         3         2          1       1   total  0.000000   0.000000
 12         3         2          1       2   total  0.000000   0.000000
 13         3         2          1       3   total  0.000000   0.000000
@@ -390,42 +390,42 @@
 17         3         2          1       7   total  0.000000   0.000000
 18         3         2          1       8   total  0.000000   0.000000
 19         3         2          1       9   total  0.000000   0.000000
-20         3         2          1      10   total  0.000000   0.000000
+20         3         2          1      10   total  0.000467   0.000467
 21         3         2          1      11   total  0.000000   0.000000
-0          3         2          2       1   total  0.086327   0.004499
-1          3         2          2       2   total  0.088278   0.008634
-2          3         2          2       3   total  0.108275   0.008710
-3          3         2          2       4   total  0.115103   0.005859
-4          3         2          2       5   total  0.139489   0.012654
-5          3         2          2       6   total  0.152658   0.005193
-6          3         2          2       7   total  0.182897   0.007164
-7          3         2          2       8   total  0.202894   0.014663
-8          3         2          2       9   total  0.268249   0.019575
-9          3         2          2      10   total  0.294098   0.015467
-10         3         2          2      11   total  0.354088   0.012355
+0          3         2          2       1   total  0.084030   0.007630
+1          3         2          2       2   total  0.099902   0.010027
+2          3         2          2       3   total  0.112040   0.010928
+3          3         2          2       4   total  0.117642   0.008523
+4          3         2          2       5   total  0.139116   0.009002
+5          3         2          2       6   total  0.161057   0.013537
+6          3         2          2       7   total  0.180664   0.010135
+7          3         2          2       8   total  0.219411   0.014717
+8          3         2          2       9   total  0.239485   0.027005
+9          3         2          2      10   total  0.281033   0.021376
+10         3         2          2      11   total  0.369731   0.027200
     material  group in  group out  mu bin nuclide      mean  std. dev.
-33         3         1          1       1   total  0.008818   0.001587
-34         3         1          1       2   total  0.006389   0.000610
-35         3         1          1       3   total  0.007288   0.000775
-36         3         1          1       4   total  0.008008   0.001111
-37         3         1          1       5   total  0.007828   0.000452
-38         3         1          1       6   total  0.011247   0.000473
-39         3         1          1       7   total  0.039411   0.002111
-40         3         1          1       8   total  0.071443   0.002082
-41         3         1          1       9   total  0.115713   0.004165
-42         3         1          1      10   total  0.164662   0.005479
-43         3         1          1      11   total  0.214060   0.006189
-22         3         1          2       1   total  0.000360   0.000090
-23         3         1          2       2   total  0.000810   0.000169
-24         3         1          2       3   total  0.000810   0.000331
-25         3         1          2       4   total  0.001440   0.000332
-26         3         1          2       5   total  0.002339   0.000267
-27         3         1          2       6   total  0.003149   0.000256
-28         3         1          2       7   total  0.004409   0.000601
-29         3         1          2       8   total  0.004139   0.000398
-30         3         1          2       9   total  0.004769   0.000639
-31         3         1          2      10   total  0.004769   0.000453
-32         3         1          2      11   total  0.002789   0.000630
+33         3         1          1       1   total  0.007006   0.000692
+34         3         1          1       2   total  0.006819   0.000431
+35         3         1          1       3   total  0.005511   0.000591
+36         3         1          1       4   total  0.006165   0.000470
+37         3         1          1       5   total  0.007660   0.000919
+38         3         1          1       6   total  0.012237   0.000938
+39         3         1          1       7   total  0.040914   0.002235
+40         3         1          1       8   total  0.074356   0.001968
+41         3         1          1       9   total  0.121622   0.004662
+42         3         1          1      10   total  0.158707   0.004147
+43         3         1          1      11   total  0.200742   0.007791
+22         3         1          2       1   total  0.000187   0.000187
+23         3         1          2       2   total  0.001028   0.000096
+24         3         1          2       3   total  0.000841   0.000176
+25         3         1          2       4   total  0.000841   0.000310
+26         3         1          2       5   total  0.001308   0.000274
+27         3         1          2       6   total  0.003736   0.000538
+28         3         1          2       7   total  0.003830   0.000703
+29         3         1          2       8   total  0.006259   0.000452
+30         3         1          2       9   total  0.005231   0.000510
+31         3         1          2      10   total  0.005044   0.000440
+32         3         1          2      11   total  0.002522   0.000194
 11         3         2          1       1   total  0.000000   0.000000
 12         3         2          1       2   total  0.000000   0.000000
 13         3         2          1       3   total  0.000000   0.000000
@@ -435,42 +435,42 @@
 17         3         2          1       7   total  0.000000   0.000000
 18         3         2          1       8   total  0.000000   0.000000
 19         3         2          1       9   total  0.000000   0.000000
-20         3         2          1      10   total  0.000000   0.000000
+20         3         2          1      10   total  0.000467   0.000467
 21         3         2          1      11   total  0.000000   0.000000
-0          3         2          2       1   total  0.086327   0.004499
-1          3         2          2       2   total  0.088278   0.008634
-2          3         2          2       3   total  0.108275   0.008710
-3          3         2          2       4   total  0.115103   0.005859
-4          3         2          2       5   total  0.139489   0.012654
-5          3         2          2       6   total  0.152658   0.005193
-6          3         2          2       7   total  0.182897   0.007164
-7          3         2          2       8   total  0.202894   0.014663
-8          3         2          2       9   total  0.268249   0.019575
-9          3         2          2      10   total  0.294098   0.015467
-10         3         2          2      11   total  0.354088   0.012355
+0          3         2          2       1   total  0.084030   0.007630
+1          3         2          2       2   total  0.099902   0.010027
+2          3         2          2       3   total  0.112040   0.010928
+3          3         2          2       4   total  0.117642   0.008523
+4          3         2          2       5   total  0.139116   0.009002
+5          3         2          2       6   total  0.161057   0.013537
+6          3         2          2       7   total  0.180664   0.010135
+7          3         2          2       8   total  0.219411   0.014717
+8          3         2          2       9   total  0.239485   0.027005
+9          3         2          2      10   total  0.281033   0.021376
+10         3         2          2      11   total  0.369731   0.027200
     material  group in  group out  mu bin nuclide      mean  std. dev.
-33         3         1          1       1   total  0.008807   0.001589
-34         3         1          1       2   total  0.006381   0.000614
-35         3         1          1       3   total  0.007279   0.000779
-36         3         1          1       4   total  0.007998   0.001113
-37         3         1          1       5   total  0.007818   0.000461
-38         3         1          1       6   total  0.011233   0.000491
-39         3         1          1       7   total  0.039362   0.002160
-40         3         1          1       8   total  0.071354   0.002246
-41         3         1          1       9   total  0.115569   0.004381
-42         3         1          1      10   total  0.164456   0.005812
-43         3         1          1      11   total  0.213793   0.006684
-22         3         1          2       1   total  0.000359   0.000090
-23         3         1          2       2   total  0.000809   0.000169
-24         3         1          2       3   total  0.000809   0.000331
-25         3         1          2       4   total  0.001438   0.000332
-26         3         1          2       5   total  0.002337   0.000269
-27         3         1          2       6   total  0.003145   0.000259
-28         3         1          2       7   total  0.004403   0.000603
-29         3         1          2       8   total  0.004134   0.000400
-30         3         1          2       9   total  0.004763   0.000640
-31         3         1          2      10   total  0.004763   0.000456
-32         3         1          2      11   total  0.002786   0.000630
+33         3         1          1       1   total  0.007106   0.000737
+34         3         1          1       2   total  0.006917   0.000488
+35         3         1          1       3   total  0.005590   0.000624
+36         3         1          1       4   total  0.006254   0.000516
+37         3         1          1       5   total  0.007770   0.000964
+38         3         1          1       6   total  0.012412   0.001029
+39         3         1          1       7   total  0.041501   0.002618
+40         3         1          1       8   total  0.075421   0.003106
+41         3         1          1       9   total  0.123365   0.006125
+42         3         1          1      10   total  0.160981   0.006595
+43         3         1          1      11   total  0.203618   0.010185
+22         3         1          2       1   total  0.000190   0.000190
+23         3         1          2       2   total  0.001042   0.000103
+24         3         1          2       3   total  0.000853   0.000180
+25         3         1          2       4   total  0.000853   0.000316
+26         3         1          2       5   total  0.001327   0.000281
+27         3         1          2       6   total  0.003790   0.000559
+28         3         1          2       7   total  0.003885   0.000724
+29         3         1          2       8   total  0.006348   0.000500
+30         3         1          2       9   total  0.005306   0.000544
+31         3         1          2      10   total  0.005117   0.000475
+32         3         1          2      11   total  0.002558   0.000213
 11         3         2          1       1   total  0.000000   0.000000
 12         3         2          1       2   total  0.000000   0.000000
 13         3         2          1       3   total  0.000000   0.000000
@@ -480,42 +480,42 @@
 17         3         2          1       7   total  0.000000   0.000000
 18         3         2          1       8   total  0.000000   0.000000
 19         3         2          1       9   total  0.000000   0.000000
-20         3         2          1      10   total  0.000000   0.000000
+20         3         2          1      10   total  0.000466   0.000467
 21         3         2          1      11   total  0.000000   0.000000
-0          3         2          2       1   total  0.086966   0.006257
-1          3         2          2       2   total  0.088931   0.009752
-2          3         2          2       3   total  0.109076   0.010309
-3          3         2          2       4   total  0.115955   0.008241
-4          3         2          2       5   total  0.140521   0.014528
-5          3         2          2       6   total  0.153787   0.009249
-6          3         2          2       7   total  0.184250   0.011645
-7          3         2          2       8   total  0.204395   0.017916
-8          3         2          2       9   total  0.270233   0.023844
-9          3         2          2      10   total  0.296274   0.021418
-10         3         2          2      11   total  0.356708   0.021633
+0          3         2          2       1   total  0.083912   0.007782
+1          3         2          2       2   total  0.099762   0.010188
+2          3         2          2       3   total  0.111883   0.011115
+3          3         2          2       4   total  0.117477   0.008794
+4          3         2          2       5   total  0.138921   0.009363
+5          3         2          2       6   total  0.160831   0.013853
+6          3         2          2       7   total  0.180411   0.010676
+7          3         2          2       8   total  0.219104   0.015265
+8          3         2          2       9   total  0.239149   0.027341
+9          3         2          2      10   total  0.280639   0.021991
+10         3         2          2      11   total  0.369213   0.028038
     material  group in  group out  mu bin nuclide      mean  std. dev.
-33         3         1          1       1   total  0.008807   0.001597
-34         3         1          1       2   total  0.006381   0.000625
-35         3         1          1       3   total  0.007279   0.000790
-36         3         1          1       4   total  0.007998   0.001123
-37         3         1          1       5   total  0.007818   0.000482
-38         3         1          1       6   total  0.011233   0.000531
-39         3         1          1       7   total  0.039362   0.002274
-40         3         1          1       8   total  0.071354   0.002589
-41         3         1          1       9   total  0.115569   0.004852
-42         3         1          1      10   total  0.164456   0.006526
-43         3         1          1      11   total  0.213793   0.007718
-22         3         1          2       1   total  0.000359   0.000092
-23         3         1          2       2   total  0.000809   0.000174
-24         3         1          2       3   total  0.000809   0.000333
-25         3         1          2       4   total  0.001438   0.000340
-26         3         1          2       5   total  0.002337   0.000295
-27         3         1          2       6   total  0.003145   0.000306
-28         3         1          2       7   total  0.004403   0.000645
-29         3         1          2       8   total  0.004134   0.000454
-30         3         1          2       9   total  0.004763   0.000686
-31         3         1          2      10   total  0.004763   0.000519
-32         3         1          2      11   total  0.002786   0.000646
+33         3         1          1       1   total  0.007106   0.000751
+34         3         1          1       2   total  0.006917   0.000509
+35         3         1          1       3   total  0.005590   0.000635
+36         3         1          1       4   total  0.006254   0.000532
+37         3         1          1       5   total  0.007770   0.000977
+38         3         1          1       6   total  0.012412   0.001060
+39         3         1          1       7   total  0.041501   0.002755
+40         3         1          1       8   total  0.075421   0.003475
+41         3         1          1       9   total  0.123365   0.006634
+42         3         1          1      10   total  0.160981   0.007387
+43         3         1          1      11   total  0.203618   0.011019
+22         3         1          2       1   total  0.000190   0.000190
+23         3         1          2       2   total  0.001042   0.000114
+24         3         1          2       3   total  0.000853   0.000185
+25         3         1          2       4   total  0.000853   0.000319
+26         3         1          2       5   total  0.001327   0.000288
+27         3         1          2       6   total  0.003790   0.000588
+28         3         1          2       7   total  0.003885   0.000748
+29         3         1          2       8   total  0.006348   0.000587
+30         3         1          2       9   total  0.005306   0.000601
+31         3         1          2      10   total  0.005117   0.000535
+32         3         1          2      11   total  0.002558   0.000246
 11         3         2          1       1   total  0.000000   0.000000
 12         3         2          1       2   total  0.000000   0.000000
 13         3         2          1       3   total  0.000000   0.000000
@@ -525,16 +525,16 @@
 17         3         2          1       7   total  0.000000   0.000000
 18         3         2          1       8   total  0.000000   0.000000
 19         3         2          1       9   total  0.000000   0.000000
-20         3         2          1      10   total  0.000000   0.000000
+20         3         2          1      10   total  0.000466   0.000808
 21         3         2          1      11   total  0.000000   0.000000
-0          3         2          2       1   total  0.086966   0.007070
-1          3         2          2       2   total  0.088931   0.010317
-2          3         2          2       3   total  0.109076   0.011105
-3          3         2          2       4   total  0.115955   0.009338
-4          3         2          2       5   total  0.140521   0.015472
-5          3         2          2       6   total  0.153787   0.010930
-6          3         2          2       7   total  0.184250   0.013575
-7          3         2          2       8   total  0.204395   0.019516
-8          3         2          2       9   total  0.270233   0.025947
-9          3         2          2      10   total  0.296274   0.024178
-10         3         2          2      11   total  0.356708   0.025503
+0          3         2          2       1   total  0.083912   0.008936
+1          3         2          2       2   total  0.099762   0.011448
+2          3         2          2       3   total  0.111883   0.012563
+3          3         2          2       4   total  0.117477   0.010731
+4          3         2          2       5   total  0.138921   0.011855
+5          3         2          2       6   total  0.160831   0.016211
+6          3         2          2       7   total  0.180411   0.014254
+7          3         2          2       8   total  0.219104   0.019093
+8          3         2          2       9   total  0.239149   0.030071
+9          3         2          2      10   total  0.280639   0.026447
+10         3         2          2      11   total  0.369213   0.034054
diff --git a/tests/regression_tests/mgxs_library_mesh/results_true.dat b/tests/regression_tests/mgxs_library_mesh/results_true.dat
index 390b5c453..b1e8ac003 100644
--- a/tests/regression_tests/mgxs_library_mesh/results_true.dat
+++ b/tests/regression_tests/mgxs_library_mesh/results_true.dat
@@ -1,362 +1,362 @@
   mesh 1       group in nuclide      mean std. dev.
        x  y  z                                     
-0      1  1  1        1   total  0.102319  0.005483
-2      1  2  1        1   total  0.104659  0.002878
-1      2  1  1        1   total  0.107122  0.005105
-3      2  2  1        1   total  0.103856  0.003459
+0      1  1  1        1   total  0.102539  0.004894
+2      1  2  1        1   total  0.106476  0.007513
+1      2  1  1        1   total  0.101207  0.004814
+3      2  2  1        1   total  0.101733  0.004445
   mesh 1       group in nuclide      mean std. dev.
        x  y  z                                     
-0      1  1  1        1   total  0.072455  0.005799
-2      1  2  1        1   total  0.072899  0.003254
-1      2  1  1        1   total  0.074187  0.005441
-3      2  2  1        1   total  0.074241  0.003779
+0      1  1  1        1   total  0.073423  0.005232
+2      1  2  1        1   total  0.077906  0.007749
+1      2  1  1        1   total  0.071315  0.005181
+3      2  2  1        1   total  0.071983  0.004856
   mesh 1       group in nuclide      mean std. dev.
        x  y  z                                     
-0      1  1  1        1   total  0.072455  0.005799
-2      1  2  1        1   total  0.072912  0.003251
-1      2  1  1        1   total  0.074140  0.005442
-3      2  2  1        1   total  0.074192  0.003783
+0      1  1  1        1   total  0.073443  0.005235
+2      1  2  1        1   total  0.077909  0.007749
+1      2  1  1        1   total  0.071315  0.005181
+3      2  2  1        1   total  0.071928  0.004865
   mesh 1       group in nuclide      mean std. dev.
        x  y  z                                     
-0      1  1  1        1   total  0.012943  0.000836
-2      1  2  1        1   total  0.013363  0.000553
-1      2  1  1        1   total  0.013980  0.000715
-3      2  2  1        1   total  0.013286  0.000621
+0      1  1  1        1   total  0.013089  0.000762
+2      1  2  1        1   total  0.013802  0.000950
+1      2  1  1        1   total  0.012818  0.000708
+3      2  2  1        1   total  0.012954  0.000699
   mesh 1       group in nuclide      mean std. dev.
        x  y  z                                     
-0      1  1  1        1   total  0.012881  0.000835
-2      1  2  1        1   total  0.013282  0.000552
-1      2  1  1        1   total  0.013896  0.000714
-3      2  2  1        1   total  0.013180  0.000621
+0      1  1  1        1   total  0.013016  0.000761
+2      1  2  1        1   total  0.013715  0.000947
+1      2  1  1        1   total  0.012740  0.000707
+3      2  2  1        1   total  0.012886  0.000698
   mesh 1       group in nuclide      mean std. dev.
        x  y  z                                     
-0      1  1  1        1   total  0.001231  0.000979
-2      1  2  1        1   total  0.001332  0.000691
-1      2  1  1        1   total  0.001346  0.000770
-3      2  2  1        1   total  0.001258  0.000815
+0      1  1  1        1   total  0.001244  0.000926
+2      1  2  1        1   total  0.001345  0.000851
+1      2  1  1        1   total  0.001196  0.000768
+3      2  2  1        1   total  0.001234  0.000843
   mesh 1       group in nuclide      mean std. dev.
        x  y  z                                     
-0      1  1  1        1   total  0.011712  0.000762
-2      1  2  1        1   total  0.012031  0.000468
-1      2  1  1        1   total  0.012635  0.000646
-3      2  2  1        1   total  0.012028  0.000556
+0      1  1  1        1   total  0.011844  0.000690
+2      1  2  1        1   total  0.012457  0.000852
+1      2  1  1        1   total  0.011622  0.000636
+3      2  2  1        1   total  0.011719  0.000633
   mesh 1       group in nuclide      mean std. dev.
        x  y  z                                     
-0      1  1  1        1   total  0.030549  0.001995
-2      1  2  1        1   total  0.031338  0.001160
-1      2  1  1        1   total  0.032944  0.001703
-3      2  2  1        1   total  0.031480  0.001423
+0      1  1  1        1   total  0.030919  0.001784
+2      1  2  1        1   total  0.032495  0.002202
+1      2  1  1        1   total  0.030363  0.001664
+3      2  2  1        1   total  0.030565  0.001671
   mesh 1       group in nuclide          mean      std. dev.
        x  y  z                                              
-0      1  1  1        1   total  2.265259e+06  147469.851100
-2      1  2  1        1   total  2.326873e+06   90605.035909
-1      2  1  1        1   total  2.443628e+06  124917.160682
-3      2  2  1        1   total  2.326322e+06  107513.428248
+0      1  1  1        1   total  2.290786e+06  133521.277651
+2      1  2  1        1   total  2.409292e+06  164752.430241
+1      2  1  1        1   total  2.247742e+06  123005.689035
+3      2  2  1        1   total  2.266603e+06  122428.448367
   mesh 1       group in nuclide      mean std. dev.
        x  y  z                                     
-0      1  1  1        1   total  0.089376  0.004670
-2      1  2  1        1   total  0.091296  0.002370
-1      2  1  1        1   total  0.093142  0.004401
-3      2  2  1        1   total  0.090570  0.002842
+0      1  1  1        1   total  0.089450  0.004147
+2      1  2  1        1   total  0.092674  0.006571
+1      2  1  1        1   total  0.088389  0.004152
+3      2  2  1        1   total  0.088779  0.003763
   mesh 1       group in nuclide      mean std. dev.
        x  y  z                                     
-0      1  1  1        1   total  0.089670  0.005421
-2      1  2  1        1   total  0.094557  0.003843
-1      2  1  1        1   total  0.094972  0.005963
-3      2  2  1        1   total  0.088538  0.002530
+0      1  1  1        1   total  0.089555  0.004061
+2      1  2  1        1   total  0.092658  0.006216
+1      2  1  1        1   total  0.088293  0.004423
+3      2  2  1        1   total  0.088717  0.004937
    mesh 1       group in group out legendre nuclide      mean std. dev.
         x  y  z                                                        
-0       1  1  1        1         1       P0   total  0.089670  0.005421
-1       1  1  1        1         1       P1   total  0.029864  0.001887
-2       1  1  1        1         1       P2   total  0.015945  0.001296
-3       1  1  1        1         1       P3   total  0.009511  0.000946
-8       1  2  1        1         1       P0   total  0.094524  0.003835
-9       1  2  1        1         1       P1   total  0.031760  0.001520
-10      1  2  1        1         1       P2   total  0.017210  0.000821
-11      1  2  1        1         1       P3   total  0.009315  0.000631
-4       2  1  1        1         1       P0   total  0.094835  0.005973
-5       2  1  1        1         1       P1   total  0.032936  0.001884
-6       2  1  1        1         1       P2   total  0.017196  0.001626
-7       2  1  1        1         1       P3   total  0.010278  0.001345
-12      2  2  1        1         1       P0   total  0.088412  0.002491
-13      2  2  1        1         1       P1   total  0.029615  0.001524
-14      2  2  1        1         1       P2   total  0.016925  0.000613
-15      2  2  1        1         1       P3   total  0.009759  0.000466
+0       1  1  1        1         1       P0   total  0.089523  0.004070
+1       1  1  1        1         1       P1   total  0.029116  0.001851
+2       1  1  1        1         1       P2   total  0.016529  0.000827
+3       1  1  1        1         1       P3   total  0.009975  0.000731
+8       1  2  1        1         1       P0   total  0.092626  0.006233
+9       1  2  1        1         1       P1   total  0.028570  0.001899
+10      1  2  1        1         1       P2   total  0.015737  0.001986
+11      1  2  1        1         1       P3   total  0.008492  0.000859
+4       2  1  1        1         1       P0   total  0.088293  0.004423
+5       2  1  1        1         1       P1   total  0.029892  0.001916
+6       2  1  1        1         1       P2   total  0.016736  0.000714
+7       2  1  1        1         1       P3   total  0.009129  0.000509
+12      2  2  1        1         1       P0   total  0.088617  0.004889
+13      2  2  1        1         1       P1   total  0.029750  0.001954
+14      2  2  1        1         1       P2   total  0.016440  0.001320
+15      2  2  1        1         1       P3   total  0.009758  0.000538
    mesh 1       group in group out legendre nuclide      mean std. dev.
         x  y  z                                                        
-0       1  1  1        1         1       P0   total  0.089670  0.005421
-1       1  1  1        1         1       P1   total  0.029864  0.001887
-2       1  1  1        1         1       P2   total  0.015945  0.001296
-3       1  1  1        1         1       P3   total  0.009511  0.000946
-8       1  2  1        1         1       P0   total  0.094557  0.003843
-9       1  2  1        1         1       P1   total  0.031747  0.001512
-10      1  2  1        1         1       P2   total  0.017201  0.000817
-11      1  2  1        1         1       P3   total  0.009329  0.000635
-4       2  1  1        1         1       P0   total  0.094972  0.005963
-5       2  1  1        1         1       P1   total  0.032983  0.001886
-6       2  1  1        1         1       P2   total  0.017162  0.001631
-7       2  1  1        1         1       P3   total  0.010240  0.001336
-12      2  2  1        1         1       P0   total  0.088538  0.002530
-13      2  2  1        1         1       P1   total  0.029663  0.001532
-14      2  2  1        1         1       P2   total  0.016931  0.000627
-15      2  2  1        1         1       P3   total  0.009762  0.000466
+0       1  1  1        1         1       P0   total  0.089555  0.004061
+1       1  1  1        1         1       P1   total  0.029096  0.001859
+2       1  1  1        1         1       P2   total  0.016532  0.000828
+3       1  1  1        1         1       P3   total  0.009986  0.000734
+8       1  2  1        1         1       P0   total  0.092658  0.006216
+9       1  2  1        1         1       P1   total  0.028567  0.001899
+10      1  2  1        1         1       P2   total  0.015721  0.001995
+11      1  2  1        1         1       P3   total  0.008496  0.000857
+4       2  1  1        1         1       P0   total  0.088293  0.004423
+5       2  1  1        1         1       P1   total  0.029892  0.001916
+6       2  1  1        1         1       P2   total  0.016736  0.000714
+7       2  1  1        1         1       P3   total  0.009129  0.000509
+12      2  2  1        1         1       P0   total  0.088717  0.004937
+13      2  2  1        1         1       P1   total  0.029805  0.001977
+14      2  2  1        1         1       P2   total  0.016448  0.001327
+15      2  2  1        1         1       P3   total  0.009752  0.000534
   mesh 1       group in group out nuclide      mean std. dev.
        x  y  z                                               
-0      1  1  1        1         1   total  1.000000  0.056046
-2      1  2  1        1         1   total  1.000346  0.042442
-1      2  1  1        1         1   total  1.001447  0.056345
-3      2  2  1        1         1   total  1.001422  0.026106
+0      1  1  1        1         1   total  1.000362  0.044694
+2      1  2  1        1         1   total  1.000346  0.059372
+1      2  1  1        1         1   total  1.000000  0.055277
+3      2  2  1        1         1   total  1.001132  0.057130
   mesh 1       group in group out nuclide      mean std. dev.
        x  y  z                                               
-0      1  1  1        1         1   total  0.031401  0.002755
-2      1  2  1        1         1   total  0.033268  0.001692
-1      2  1  1        1         1   total  0.033756  0.002609
-3      2  2  1        1         1   total  0.030234  0.001308
+0      1  1  1        1         1   total  0.031634  0.002236
+2      1  2  1        1         1   total  0.032561  0.002344
+1      2  1  1        1         1   total  0.030820  0.002579
+3      2  2  1        1         1   total  0.029308  0.002507
   mesh 1       group in group out nuclide mean std. dev.
        x  y  z                                          
-0      1  1  1        1         1   total  1.0  0.056046
-2      1  2  1        1         1   total  1.0  0.042360
-1      2  1  1        1         1   total  1.0  0.056488
-3      2  2  1        1         1   total  1.0  0.025630
+0      1  1  1        1         1   total  1.0  0.044796
+2      1  2  1        1         1   total  1.0  0.059579
+1      2  1  1        1         1   total  1.0  0.055277
+3      2  2  1        1         1   total  1.0  0.056598
    mesh 1       group in group out legendre nuclide      mean std. dev.
         x  y  z                                                        
-0       1  1  1        1         1       P0   total  0.089376  0.006848
-1       1  1  1        1         1       P1   total  0.029766  0.002346
-2       1  1  1        1         1       P2   total  0.015893  0.001493
-3       1  1  1        1         1       P3   total  0.009480  0.001043
-8       1  2  1        1         1       P0   total  0.091296  0.004536
-9       1  2  1        1         1       P1   total  0.030675  0.001712
-10      1  2  1        1         1       P2   total  0.016622  0.000925
-11      1  2  1        1         1       P3   total  0.008997  0.000662
-4       2  1  1        1         1       P0   total  0.093142  0.006860
-5       2  1  1        1         1       P1   total  0.032348  0.002224
-6       2  1  1        1         1       P2   total  0.016889  0.001722
-7       2  1  1        1         1       P3   total  0.010094  0.001376
-12      2  2  1        1         1       P0   total  0.090570  0.003669
-13      2  2  1        1         1       P1   total  0.030338  0.001794
-14      2  2  1        1         1       P2   total  0.017338  0.000806
-15      2  2  1        1         1       P3   total  0.009997  0.000559
+0       1  1  1        1         1       P0   total  0.089450  0.005766
+1       1  1  1        1         1       P1   total  0.029092  0.002277
+2       1  1  1        1         1       P2   total  0.016516  0.001119
+3       1  1  1        1         1       P3   total  0.009967  0.000861
+8       1  2  1        1         1       P0   total  0.092674  0.008583
+9       1  2  1        1         1       P1   total  0.028585  0.002630
+10      1  2  1        1         1       P2   total  0.015745  0.002226
+11      1  2  1        1         1       P3   total  0.008496  0.001015
+4       2  1  1        1         1       P0   total  0.088389  0.006412
+5       2  1  1        1         1       P1   total  0.029924  0.002479
+6       2  1  1        1         1       P2   total  0.016754  0.001133
+7       2  1  1        1         1       P3   total  0.009139  0.000699
+12      2  2  1        1         1       P0   total  0.088779  0.006278
+13      2  2  1        1         1       P1   total  0.029804  0.002360
+14      2  2  1        1         1       P2   total  0.016470  0.001510
+15      2  2  1        1         1       P3   total  0.009776  0.000691
    mesh 1       group in group out legendre nuclide      mean std. dev.
         x  y  z                                                        
-0       1  1  1        1         1       P0   total  0.089376  0.008485
-1       1  1  1        1         1       P1   total  0.029766  0.002878
-2       1  1  1        1         1       P2   total  0.015893  0.001738
-3       1  1  1        1         1       P3   total  0.009480  0.001171
-8       1  2  1        1         1       P0   total  0.091328  0.005967
-9       1  2  1        1         1       P1   total  0.030686  0.002151
-10      1  2  1        1         1       P2   total  0.016628  0.001164
-11      1  2  1        1         1       P3   total  0.009000  0.000764
-4       2  1  1        1         1       P0   total  0.093277  0.008645
-5       2  1  1        1         1       P1   total  0.032394  0.002878
-6       2  1  1        1         1       P2   total  0.016913  0.001969
-7       2  1  1        1         1       P3   total  0.010109  0.001491
-12      2  2  1        1         1       P0   total  0.090699  0.004369
-13      2  2  1        1         1       P1   total  0.030381  0.001963
-14      2  2  1        1         1       P2   total  0.017362  0.000925
-15      2  2  1        1         1       P3   total  0.010011  0.000618
+0       1  1  1        1         1       P0   total  0.089483  0.007018
+1       1  1  1        1         1       P1   total  0.029103  0.002623
+2       1  1  1        1         1       P2   total  0.016522  0.001341
+3       1  1  1        1         1       P3   total  0.009971  0.000970
+8       1  2  1        1         1       P0   total  0.092706  0.010197
+9       1  2  1        1         1       P1   total  0.028595  0.003131
+10      1  2  1        1         1       P2   total  0.015750  0.002415
+11      1  2  1        1         1       P3   total  0.008499  0.001134
+4       2  1  1        1         1       P0   total  0.088389  0.008061
+5       2  1  1        1         1       P1   total  0.029924  0.002980
+6       2  1  1        1         1       P2   total  0.016754  0.001463
+7       2  1  1        1         1       P3   total  0.009139  0.000863
+12      2  2  1        1         1       P0   total  0.088880  0.008076
+13      2  2  1        1         1       P1   total  0.029838  0.002912
+14      2  2  1        1         1       P2   total  0.016489  0.001781
+15      2  2  1        1         1       P3   total  0.009787  0.000889
   mesh 1       group out nuclide mean std. dev.
        x  y  z                                 
-0      1  1  1         1   total  1.0  0.105972
-2      1  2  1         1   total  1.0  0.060624
-1      2  1  1         1   total  1.0  0.084855
-3      2  2  1         1   total  1.0  0.053024
+0      1  1  1         1   total  1.0  0.088672
+2      1  2  1         1   total  1.0  0.069731
+1      2  1  1         1   total  1.0  0.109718
+3      2  2  1         1   total  1.0  0.108376
   mesh 1       group out nuclide mean std. dev.
        x  y  z                                 
-0      1  1  1         1   total  1.0  0.108202
-2      1  2  1         1   total  1.0  0.058908
-1      2  1  1         1   total  1.0  0.085583
-3      2  2  1         1   total  1.0  0.052287
+0      1  1  1         1   total  1.0  0.091154
+2      1  2  1         1   total  1.0  0.069438
+1      2  1  1         1   total  1.0  0.109233
+3      2  2  1         1   total  1.0  0.108119
   mesh 1       group in nuclide          mean     std. dev.
        x  y  z                                             
-0      1  1  1        1   total  8.529639e-10  3.484230e-11
-2      1  2  1        1   total  9.050800e-10  2.850752e-11
-1      2  1  1        1   total  8.650057e-10  4.049297e-11
-3      2  2  1        1   total  8.673543e-10  1.753754e-11
+0      1  1  1        1   total  8.424136e-10  3.612697e-11
+2      1  2  1        1   total  8.884166e-10  6.324091e-11
+1      2  1  1        1   total  8.415613e-10  4.520088e-11
+3      2  2  1        1   total  8.557929e-10  2.898037e-11
   mesh 1       group in nuclide      mean std. dev.
        x  y  z                                     
-0      1  1  1        1   total  0.030356  0.001982
-2      1  2  1        1   total  0.031140  0.001152
-1      2  1  1        1   total  0.032736  0.001693
-3      2  2  1        1   total  0.031283  0.001414
+0      1  1  1        1   total  0.030724  0.001773
+2      1  2  1        1   total  0.032290  0.002188
+1      2  1  1        1   total  0.030172  0.001654
+3      2  2  1        1   total  0.030372  0.001661
   mesh 1       group in group out nuclide      mean std. dev.
        x  y  z                                               
-0      1  1  1        1         1   total  0.031233  0.002783
-2      1  2  1        1         1   total  0.033040  0.001647
-1      2  1  1        1         1   total  0.033581  0.002609
-3      2  2  1        1         1   total  0.030070  0.001287
+0      1  1  1        1         1   total  0.031468  0.002273
+2      1  2  1        1         1   total  0.032418  0.002330
+1      2  1  1        1         1   total  0.030706  0.002559
+3      2  2  1        1         1   total  0.029134  0.002487
    mesh 1               group in nuclide    mean std. dev.
         x  y       surf                                   
-3       1  1   x-max in        1   total  0.1816  0.006129
-2       1  1  x-max out        1   total  0.1730  0.004382
+3       1  1   x-max in        1   total  0.1884  0.010255
+2       1  1  x-max out        1   total  0.1798  0.009646
 1       1  1   x-min in        1   total  0.0000  0.000000
 0       1  1  x-min out        1   total  0.0000  0.000000
-7       1  1   y-max in        1   total  0.1790  0.011921
-6       1  1  y-max out        1   total  0.1802  0.016599
+7       1  1   y-max in        1   total  0.1822  0.014739
+6       1  1  y-max out        1   total  0.1806  0.019423
 5       1  1   y-min in        1   total  0.0000  0.000000
 4       1  1  y-min out        1   total  0.0000  0.000000
-19      1  2   x-max in        1   total  0.1872  0.012447
-18      1  2  x-max out        1   total  0.1952  0.015948
+19      1  2   x-max in        1   total  0.1780  0.012514
+18      1  2  x-max out        1   total  0.1886  0.014979
 17      1  2   x-min in        1   total  0.0000  0.000000
 16      1  2  x-min out        1   total  0.0000  0.000000
 23      1  2   y-max in        1   total  0.0000  0.000000
 22      1  2  y-max out        1   total  0.0000  0.000000
-21      1  2   y-min in        1   total  0.1802  0.016599
-20      1  2  y-min out        1   total  0.1790  0.011921
+21      1  2   y-min in        1   total  0.1806  0.019423
+20      1  2  y-min out        1   total  0.1822  0.014739
 11      2  1   x-max in        1   total  0.0000  0.000000
 10      2  1  x-max out        1   total  0.0000  0.000000
-9       2  1   x-min in        1   total  0.1730  0.004382
-8       2  1  x-min out        1   total  0.1816  0.006129
-15      2  1   y-max in        1   total  0.1778  0.009484
-14      2  1  y-max out        1   total  0.1822  0.010077
+9       2  1   x-min in        1   total  0.1798  0.009646
+8       2  1  x-min out        1   total  0.1884  0.010255
+15      2  1   y-max in        1   total  0.1812  0.009583
+14      2  1  y-max out        1   total  0.1858  0.012018
 13      2  1   y-min in        1   total  0.0000  0.000000
 12      2  1  y-min out        1   total  0.0000  0.000000
 27      2  2   x-max in        1   total  0.0000  0.000000
 26      2  2  x-max out        1   total  0.0000  0.000000
-25      2  2   x-min in        1   total  0.1952  0.015948
-24      2  2  x-min out        1   total  0.1872  0.012447
+25      2  2   x-min in        1   total  0.1886  0.014979
+24      2  2  x-min out        1   total  0.1780  0.012514
 31      2  2   y-max in        1   total  0.0000  0.000000
 30      2  2  y-max out        1   total  0.0000  0.000000
-29      2  2   y-min in        1   total  0.1822  0.010077
-28      2  2  y-min out        1   total  0.1778  0.009484
+29      2  2   y-min in        1   total  0.1858  0.012018
+28      2  2  y-min out        1   total  0.1812  0.009583
   mesh 1       group in nuclide      mean std. dev.
        x  y  z                                     
-0      1  1  1        1   total  4.600555  0.368212
-2      1  2  1        1   total  4.572518  0.204129
-1      2  1  1        1   total  4.493168  0.329560
-3      2  2  1        1   total  4.489908  0.228574
+0      1  1  1        1   total  4.539911  0.323493
+2      1  2  1        1   total  4.278655  0.425575
+1      2  1  1        1   total  4.674097  0.339600
+3      2  2  1        1   total  4.630700  0.312366
   mesh 1       group in nuclide      mean std. dev.
        x  y  z                                     
-0      1  1  1        1   total  4.600555  0.368212
-2      1  2  1        1   total  4.571696  0.203824
-1      2  1  1        1   total  4.496020  0.330019
-3      2  2  1        1   total  4.492825  0.229077
+0      1  1  1        1   total  4.538654  0.323497
+2      1  2  1        1   total  4.278494  0.425550
+1      2  1  1        1   total  4.674097  0.339600
+3      2  2  1        1   total  4.634259  0.313464
    mesh 1       delayedgroup group in nuclide      mean     std. dev.
         x  y  z                                                      
-0       1  1  1            1        1   total  0.000007  4.371033e-07
-1       1  1  1            2        1   total  0.000035  2.256193e-06
-2       1  1  1            3        1   total  0.000033  2.153958e-06
-3       1  1  1            4        1   total  0.000075  4.829351e-06
-4       1  1  1            5        1   total  0.000031  1.979966e-06
-5       1  1  1            6        1   total  0.000013  8.294008e-07
-12      1  2  1            1        1   total  0.000007  2.763697e-07
-13      1  2  1            2        1   total  0.000036  1.426535e-06
-14      1  2  1            3        1   total  0.000034  1.361895e-06
-15      1  2  1            4        1   total  0.000077  3.053480e-06
-16      1  2  1            5        1   total  0.000031  1.251884e-06
-17      1  2  1            6        1   total  0.000013  5.244097e-07
-6       2  1  1            1        1   total  0.000007  3.644103e-07
-7       2  1  1            2        1   total  0.000038  1.880974e-06
-8       2  1  1            3        1   total  0.000036  1.795741e-06
-9       2  1  1            4        1   total  0.000080  4.026199e-06
-10      2  1  1            5        1   total  0.000033  1.650685e-06
-11      2  1  1            6        1   total  0.000014  6.914661e-07
-18      2  2  1            1        1   total  0.000007  3.263844e-07
-19      2  2  1            2        1   total  0.000036  1.684696e-06
-20      2  2  1            3        1   total  0.000034  1.608357e-06
-21      2  2  1            4        1   total  0.000076  3.606069e-06
-22      2  2  1            5        1   total  0.000031  1.478437e-06
-23      2  2  1            6        1   total  0.000013  6.193123e-07
+0       1  1  1            1        1   total  0.000007  3.997262e-07
+1       1  1  1            2        1   total  0.000035  2.063264e-06
+2       1  1  1            3        1   total  0.000034  1.969771e-06
+3       1  1  1            4        1   total  0.000075  4.416388e-06
+4       1  1  1            5        1   total  0.000031  1.810657e-06
+5       1  1  1            6        1   total  0.000013  7.584779e-07
+12      1  2  1            1        1   total  0.000007  4.931656e-07
+13      1  2  1            2        1   total  0.000037  2.545569e-06
+14      1  2  1            3        1   total  0.000035  2.430221e-06
+15      1  2  1            4        1   total  0.000079  5.448757e-06
+16      1  2  1            5        1   total  0.000032  2.233913e-06
+17      1  2  1            6        1   total  0.000014  9.357785e-07
+6       2  1  1            1        1   total  0.000007  3.618632e-07
+7       2  1  1            2        1   total  0.000035  1.867826e-06
+8       2  1  1            3        1   total  0.000033  1.783189e-06
+9       2  1  1            4        1   total  0.000074  3.998058e-06
+10      2  1  1            5        1   total  0.000030  1.639147e-06
+11      2  1  1            6        1   total  0.000013  6.866331e-07
+18      2  2  1            1        1   total  0.000007  3.603080e-07
+19      2  2  1            2        1   total  0.000035  1.859799e-06
+20      2  2  1            3        1   total  0.000033  1.775526e-06
+21      2  2  1            4        1   total  0.000075  3.980875e-06
+22      2  2  1            5        1   total  0.000031  1.632103e-06
+23      2  2  1            6        1   total  0.000013  6.836821e-07
    mesh 1       delayedgroup group out nuclide mean std. dev.
         x  y  z                                              
 0       1  1  1            1         1   total  0.0  0.000000
-1       1  1  1            2         1   total  1.0  1.414214
-2       1  1  1            3         1   total  1.0  1.414214
-3       1  1  1            4         1   total  1.0  0.579241
+1       1  1  1            2         1   total  1.0  0.866877
+2       1  1  1            3         1   total  1.0  0.866877
+3       1  1  1            4         1   total  1.0  1.414214
 4       1  1  1            5         1   total  1.0  1.414214
 5       1  1  1            6         1   total  0.0  0.000000
-12      1  2  1            1         1   total  1.0  1.414214
+12      1  2  1            1         1   total  0.0  0.000000
 13      1  2  1            2         1   total  0.0  0.000000
-14      1  2  1            3         1   total  1.0  0.866166
-15      1  2  1            4         1   total  1.0  0.868547
-16      1  2  1            5         1   total  1.0  0.873899
+14      1  2  1            3         1   total  0.0  0.000000
+15      1  2  1            4         1   total  1.0  0.579346
+16      1  2  1            5         1   total  1.0  1.414214
 17      1  2  1            6         1   total  1.0  1.414214
-6       2  1  1            1         1   total  0.0  0.000000
-7       2  1  1            2         1   total  1.0  0.654642
-8       2  1  1            3         1   total  1.0  1.414214
-9       2  1  1            4         1   total  1.0  1.414214
+6       2  1  1            1         1   total  1.0  1.414214
+7       2  1  1            2         1   total  1.0  1.414214
+8       2  1  1            3         1   total  1.0  0.874781
+9       2  1  1            4         1   total  0.0  0.000000
 10      2  1  1            5         1   total  0.0  0.000000
 11      2  1  1            6         1   total  0.0  0.000000
-18      2  2  1            1         1   total  1.0  0.867501
-19      2  2  1            2         1   total  0.0  0.000000
-20      2  2  1            3         1   total  0.0  0.000000
-21      2  2  1            4         1   total  1.0  0.867501
+18      2  2  1            1         1   total  1.0  1.414214
+19      2  2  1            2         1   total  1.0  0.867902
+20      2  2  1            3         1   total  1.0  1.414214
+21      2  2  1            4         1   total  1.0  1.414214
 22      2  2  1            5         1   total  1.0  1.414214
-23      2  2  1            6         1   total  1.0  1.414214
+23      2  2  1            6         1   total  0.0  0.000000
    mesh 1       delayedgroup group in nuclide      mean std. dev.
         x  y  z                                                  
-0       1  1  1            1        1   total  0.000221  0.000018
-1       1  1  1            2        1   total  0.001141  0.000091
-2       1  1  1            3        1   total  0.001090  0.000087
-3       1  1  1            4        1   total  0.002443  0.000194
-4       1  1  1            5        1   total  0.001002  0.000080
-5       1  1  1            6        1   total  0.000420  0.000033
-12      1  2  1            1        1   total  0.000221  0.000011
-13      1  2  1            2        1   total  0.001142  0.000059
-14      1  2  1            3        1   total  0.001090  0.000056
-15      1  2  1            4        1   total  0.002444  0.000126
-16      1  2  1            5        1   total  0.001002  0.000052
-17      1  2  1            6        1   total  0.000420  0.000022
-6       2  1  1            1        1   total  0.000221  0.000013
-7       2  1  1            2        1   total  0.001140  0.000065
-8       2  1  1            3        1   total  0.001088  0.000062
-9       2  1  1            4        1   total  0.002440  0.000140
-10      2  1  1            5        1   total  0.001000  0.000057
-11      2  1  1            6        1   total  0.000419  0.000024
-18      2  2  1            1        1   total  0.000219  0.000014
-19      2  2  1            2        1   total  0.001132  0.000072
-20      2  2  1            3        1   total  0.001081  0.000069
-21      2  2  1            4        1   total  0.002424  0.000155
-22      2  2  1            5        1   total  0.000994  0.000064
-23      2  2  1            6        1   total  0.000416  0.000027
+0       1  1  1            1        1   total  0.000221  0.000016
+1       1  1  1            2        1   total  0.001138  0.000084
+2       1  1  1            3        1   total  0.001087  0.000080
+3       1  1  1            4        1   total  0.002437  0.000180
+4       1  1  1            5        1   total  0.000999  0.000074
+5       1  1  1            6        1   total  0.000418  0.000031
+12      1  2  1            1        1   total  0.000221  0.000014
+13      1  2  1            2        1   total  0.001138  0.000073
+14      1  2  1            3        1   total  0.001087  0.000069
+15      1  2  1            4        1   total  0.002436  0.000155
+16      1  2  1            5        1   total  0.000999  0.000064
+17      1  2  1            6        1   total  0.000418  0.000027
+6       2  1  1            1        1   total  0.000220  0.000014
+7       2  1  1            2        1   total  0.001137  0.000070
+8       2  1  1            3        1   total  0.001086  0.000067
+9       2  1  1            4        1   total  0.002435  0.000150
+10      2  1  1            5        1   total  0.000998  0.000062
+11      2  1  1            6        1   total  0.000418  0.000026
+18      2  2  1            1        1   total  0.000221  0.000015
+19      2  2  1            2        1   total  0.001141  0.000078
+20      2  2  1            3        1   total  0.001089  0.000074
+21      2  2  1            4        1   total  0.002442  0.000167
+22      2  2  1            5        1   total  0.001001  0.000068
+23      2  2  1            6        1   total  0.000419  0.000029
    mesh 1       delayedgroup nuclide      mean std. dev.
         x  y  z                                         
-0       1  1  1            1   total  0.013336  0.001054
-1       1  1  1            2   total  0.032739  0.002588
-2       1  1  1            3   total  0.120780  0.009548
-3       1  1  1            4   total  0.302780  0.023936
-4       1  1  1            5   total  0.849490  0.067157
-5       1  1  1            6   total  2.853000  0.225544
-12      1  2  1            1   total  0.013336  0.000716
-13      1  2  1            2   total  0.032739  0.001758
-14      1  2  1            3   total  0.120780  0.006485
-15      1  2  1            4   total  0.302780  0.016257
-16      1  2  1            5   total  0.849490  0.045611
-17      1  2  1            6   total  2.853000  0.153186
-6       2  1  1            1   total  0.013336  0.000744
-7       2  1  1            2   total  0.032739  0.001827
-8       2  1  1            3   total  0.120780  0.006740
-9       2  1  1            4   total  0.302780  0.016897
-10      2  1  1            5   total  0.849490  0.047407
-11      2  1  1            6   total  2.853000  0.159216
-18      2  2  1            1   total  0.013336  0.000872
-19      2  2  1            2   total  0.032739  0.002141
-20      2  2  1            3   total  0.120780  0.007899
-21      2  2  1            4   total  0.302780  0.019803
-22      2  2  1            5   total  0.849490  0.055560
-23      2  2  1            6   total  2.853000  0.186598
+0       1  1  1            1   total  0.013336  0.000997
+1       1  1  1            2   total  0.032739  0.002447
+2       1  1  1            3   total  0.120780  0.009028
+3       1  1  1            4   total  0.302780  0.022633
+4       1  1  1            5   total  0.849490  0.063500
+5       1  1  1            6   total  2.853000  0.213262
+12      1  2  1            1   total  0.013336  0.000866
+13      1  2  1            2   total  0.032739  0.002126
+14      1  2  1            3   total  0.120780  0.007843
+15      1  2  1            4   total  0.302780  0.019661
+16      1  2  1            5   total  0.849490  0.055163
+17      1  2  1            6   total  2.853000  0.185263
+6       2  1  1            1   total  0.013336  0.000814
+7       2  1  1            2   total  0.032739  0.001999
+8       2  1  1            3   total  0.120780  0.007373
+9       2  1  1            4   total  0.302780  0.018483
+10      2  1  1            5   total  0.849490  0.051857
+11      2  1  1            6   total  2.853000  0.174163
+18      2  2  1            1   total  0.013336  0.000896
+19      2  2  1            2   total  0.032739  0.002200
+20      2  2  1            3   total  0.120780  0.008117
+21      2  2  1            4   total  0.302780  0.020349
+22      2  2  1            5   total  0.849490  0.057091
+23      2  2  1            6   total  2.853000  0.191738
    mesh 1       delayedgroup group in group out nuclide      mean std. dev.
         x  y  z                                                            
 0       1  1  1            1        1         1   total  0.000000  0.000000
-1       1  1  1            2        1         1   total  0.000029  0.000030
-2       1  1  1            3        1         1   total  0.000028  0.000028
-3       1  1  1            4        1         1   total  0.000083  0.000034
-4       1  1  1            5        1         1   total  0.000028  0.000028
+1       1  1  1            2        1         1   total  0.000056  0.000034
+2       1  1  1            3        1         1   total  0.000056  0.000034
+3       1  1  1            4        1         1   total  0.000029  0.000029
+4       1  1  1            5        1         1   total  0.000026  0.000026
 5       1  1  1            6        1         1   total  0.000000  0.000000
-12      1  2  1            1        1         1   total  0.000029  0.000029
+12      1  2  1            1        1         1   total  0.000000  0.000000
 13      1  2  1            2        1         1   total  0.000000  0.000000
-14      1  2  1            3        1         1   total  0.000052  0.000032
-15      1  2  1            4        1         1   total  0.000055  0.000034
-16      1  2  1            5        1         1   total  0.000059  0.000037
-17      1  2  1            6        1         1   total  0.000033  0.000033
-6       2  1  1            1        1         1   total  0.000000  0.000000
-7       2  1  1            2        1         1   total  0.000113  0.000053
-8       2  1  1            3        1         1   total  0.000034  0.000034
-9       2  1  1            4        1         1   total  0.000029  0.000029
+14      1  2  1            3        1         1   total  0.000000  0.000000
+15      1  2  1            4        1         1   total  0.000079  0.000033
+16      1  2  1            5        1         1   total  0.000032  0.000032
+17      1  2  1            6        1         1   total  0.000032  0.000032
+6       2  1  1            1        1         1   total  0.000029  0.000029
+7       2  1  1            2        1         1   total  0.000027  0.000027
+8       2  1  1            3        1         1   total  0.000058  0.000036
+9       2  1  1            4        1         1   total  0.000000  0.000000
 10      2  1  1            5        1         1   total  0.000000  0.000000
 11      2  1  1            6        1         1   total  0.000000  0.000000
-18      2  2  1            1        1         1   total  0.000053  0.000033
-19      2  2  1            2        1         1   total  0.000000  0.000000
-20      2  2  1            3        1         1   total  0.000000  0.000000
-21      2  2  1            4        1         1   total  0.000053  0.000033
-22      2  2  1            5        1         1   total  0.000031  0.000031
-23      2  2  1            6        1         1   total  0.000025  0.000025
+18      2  2  1            1        1         1   total  0.000027  0.000027
+19      2  2  1            2        1         1   total  0.000056  0.000035
+20      2  2  1            3        1         1   total  0.000028  0.000028
+21      2  2  1            4        1         1   total  0.000030  0.000030
+22      2  2  1            5        1         1   total  0.000033  0.000033
+23      2  2  1            6        1         1   total  0.000000  0.000000
diff --git a/tests/regression_tests/mgxs_library_no_nuclides/results_true.dat b/tests/regression_tests/mgxs_library_no_nuclides/results_true.dat
index dfbd183d4..7ab85f600 100644
--- a/tests/regression_tests/mgxs_library_no_nuclides/results_true.dat
+++ b/tests/regression_tests/mgxs_library_no_nuclides/results_true.dat
@@ -1,333 +1,333 @@
 total
    material  group in nuclide      mean  std. dev.
-1         1         1   total  0.416386   0.014741
-0         1         2   total  0.658651   0.060521
+1         1         1   total  0.413814   0.018434
+0         1         2   total  0.663001   0.012535
 transport
    material  group in nuclide      mean  std. dev.
-1         1         1   total  0.378343   0.016533
-0         1         2   total  0.641137   0.060797
+1         1         1   total  0.369730   0.019494
+0         1         2   total  0.643777   0.018246
 nu-transport
    material  group in nuclide      mean  std. dev.
-1         1         1   total  0.378437   0.016556
-0         1         2   total  0.641137   0.060797
+1         1         1   total  0.369730   0.019494
+0         1         2   total  0.643777   0.018246
 absorption
    material  group in nuclide      mean  std. dev.
-1         1         1   total  0.027335   0.002038
-0         1         2   total  0.263007   0.029616
+1         1         1   total  0.026013   0.001851
+0         1         2   total  0.267233   0.007475
 reduced absorption
    material  group in nuclide      mean  std. dev.
-1         1         1   total  0.027278   0.002038
-0         1         2   total  0.263007   0.029616
+1         1         1   total  0.025932   0.001850
+0         1         2   total  0.267233   0.007475
 capture
    material  group in nuclide      mean  std. dev.
-1         1         1   total  0.019722   0.001980
-0         1         2   total  0.071284   0.032059
+1         1         1   total  0.018869   0.001758
+0         1         2   total  0.072358   0.008204
 fission
    material  group in nuclide      mean  std. dev.
-1         1         1   total  0.007613   0.000245
-0         1         2   total  0.191723   0.021698
+1         1         1   total  0.007144   0.000317
+0         1         2   total  0.194875   0.005528
 nu-fission
    material  group in nuclide      mean  std. dev.
-1         1         1   total  0.019339   0.000628
-0         1         2   total  0.467173   0.052872
+1         1         1   total  0.018243   0.000827
+0         1         2   total  0.474851   0.013471
 kappa-fission
    material  group in nuclide          mean     std. dev.
-1         1         1   total  1.482697e+06  4.755501e+04
-0         1         2   total  3.708035e+07  4.196524e+06
+1         1         1   total  1.391782e+06  6.192598e+04
+0         1         2   total  3.768981e+07  1.069211e+06
 scatter
    material  group in nuclide      mean  std. dev.
-1         1         1   total  0.389051   0.013216
-0         1         2   total  0.395644   0.031715
+1         1         1   total  0.387802   0.017462
+0         1         2   total  0.395768   0.007541
 nu-scatter
    material  group in nuclide      mean  std. dev.
-1         1         1   total  0.392313   0.009662
-0         1         2   total  0.385086   0.024132
+1         1         1   total  0.387032   0.024325
+0         1         2   total  0.407651   0.016266
 scatter matrix
     material  group in  group out legendre nuclide      mean  std. dev.
-12         1         1          1       P0   total  0.391262   0.009858
-13         1         1          1       P1   total  0.038043   0.007486
-14         1         1          1       P2   total  0.019717   0.003619
-15         1         1          1       P3   total  0.018917   0.001007
-8          1         1          2       P0   total  0.000876   0.000554
-9          1         1          2       P1   total -0.000275   0.000386
-10         1         1          2       P2   total  0.000074   0.000114
-11         1         1          2       P3   total  0.000141   0.000113
+12         1         1          1       P0   total  0.386336   0.024297
+13         1         1          1       P1   total  0.044084   0.006343
+14         1         1          1       P2   total  0.027336   0.006403
+15         1         1          1       P3   total  0.011672   0.004897
+8          1         1          2       P0   total  0.000695   0.000327
+9          1         1          2       P1   total -0.000359   0.000201
+10         1         1          2       P2   total -0.000047   0.000081
+11         1         1          2       P3   total  0.000239   0.000099
 4          1         2          1       P0   total  0.000000   0.000000
 5          1         2          1       P1   total  0.000000   0.000000
 6          1         2          1       P2   total  0.000000   0.000000
 7          1         2          1       P3   total  0.000000   0.000000
-0          1         2          2       P0   total  0.385086   0.024132
-1          1         2          2       P1   total  0.019196   0.005279
-2          1         2          2       P2   total -0.005654   0.006088
-3          1         2          2       P3   total  0.002768   0.007045
+0          1         2          2       P0   total  0.407651   0.016266
+1          1         2          2       P1   total  0.021192   0.013171
+2          1         2          2       P2   total  0.010327   0.017230
+3          1         2          2       P3   total  0.005148   0.013732
 nu-scatter matrix
     material  group in  group out legendre nuclide      mean  std. dev.
-12         1         1          1       P0   total  0.391437   0.009813
-13         1         1          1       P1   total  0.037949   0.007537
-14         1         1          1       P2   total  0.019705   0.003623
-15         1         1          1       P3   total  0.018991   0.001065
-8          1         1          2       P0   total  0.000876   0.000554
-9          1         1          2       P1   total -0.000275   0.000386
-10         1         1          2       P2   total  0.000074   0.000114
-11         1         1          2       P3   total  0.000141   0.000113
+12         1         1          1       P0   total  0.386336   0.024297
+13         1         1          1       P1   total  0.044084   0.006343
+14         1         1          1       P2   total  0.027336   0.006403
+15         1         1          1       P3   total  0.011672   0.004897
+8          1         1          2       P0   total  0.000695   0.000327
+9          1         1          2       P1   total -0.000359   0.000201
+10         1         1          2       P2   total -0.000047   0.000081
+11         1         1          2       P3   total  0.000239   0.000099
 4          1         2          1       P0   total  0.000000   0.000000
 5          1         2          1       P1   total  0.000000   0.000000
 6          1         2          1       P2   total  0.000000   0.000000
 7          1         2          1       P3   total  0.000000   0.000000
-0          1         2          2       P0   total  0.385086   0.024132
-1          1         2          2       P1   total  0.019196   0.005279
-2          1         2          2       P2   total -0.005654   0.006088
-3          1         2          2       P3   total  0.002768   0.007045
+0          1         2          2       P0   total  0.407651   0.016266
+1          1         2          2       P1   total  0.021192   0.013171
+2          1         2          2       P2   total  0.010327   0.017230
+3          1         2          2       P3   total  0.005148   0.013732
 multiplicity matrix
-   material  group in  group out nuclide      mean  std. dev.
-3         1         1          1   total  1.000448   0.020416
-2         1         1          2   total  1.000000   0.894427
-1         1         2          1   total  0.000000   0.000000
-0         1         2          2   total  1.000000   0.085266
+   material  group in  group out nuclide  mean  std. dev.
+3         1         1          1   total   1.0   0.064268
+2         1         1          2   total   1.0   0.661438
+1         1         2          1   total   0.0   0.000000
+0         1         2          2   total   1.0   0.050545
 nu-fission matrix
    material  group in  group out nuclide      mean  std. dev.
-3         1         1          1   total  0.017516   0.001935
+3         1         1          1   total  0.024633   0.002205
 2         1         1          2   total  0.000000   0.000000
-1         1         2          1   total  0.498681   0.013398
+1         1         2          1   total  0.435159   0.014743
 0         1         2          2   total  0.000000   0.000000
 scatter probability matrix
    material  group in  group out nuclide      mean  std. dev.
-3         1         1          1   total  0.997766   0.020541
-2         1         1          2   total  0.002234   0.001413
+3         1         1          1   total  0.998203   0.064101
+2         1         1          2   total  0.001797   0.000844
 1         1         2          1   total  0.000000   0.000000
-0         1         2          2   total  1.000000   0.085266
+0         1         2          2   total  1.000000   0.050545
 consistent scatter matrix
     material  group in  group out legendre nuclide      mean  std. dev.
-12         1         1          1       P0   total  0.388182   0.015419
-13         1         1          1       P1   total  0.037744   0.007517
-14         1         1          1       P2   total  0.019562   0.003641
-15         1         1          1       P3   total  0.018769   0.001154
-8          1         1          2       P0   total  0.000869   0.000551
-9          1         1          2       P1   total -0.000273   0.000383
-10         1         1          2       P2   total  0.000073   0.000113
-11         1         1          2       P3   total  0.000140   0.000112
+12         1         1          1       P0   total  0.387105   0.030361
+13         1         1          1       P1   total  0.044172   0.006684
+14         1         1          1       P2   total  0.027391   0.006543
+15         1         1          1       P3   total  0.011695   0.004937
+8          1         1          2       P0   total  0.000697   0.000329
+9          1         1          2       P1   total -0.000360   0.000202
+10         1         1          2       P2   total -0.000047   0.000082
+11         1         1          2       P3   total  0.000239   0.000100
 4          1         2          1       P0   total  0.000000   0.000000
 5          1         2          1       P1   total  0.000000   0.000000
 6          1         2          1       P2   total  0.000000   0.000000
 7          1         2          1       P3   total  0.000000   0.000000
-0          1         2          2       P0   total  0.395644   0.046302
-1          1         2          2       P1   total  0.019723   0.005763
-2          1         2          2       P2   total -0.005809   0.006281
-3          1         2          2       P3   total  0.002843   0.007244
+0          1         2          2       P0   total  0.395768   0.021378
+1          1         2          2       P1   total  0.020575   0.012809
+2          1         2          2       P2   total  0.010026   0.016732
+3          1         2          2       P3   total  0.004998   0.013333
 consistent nu-scatter matrix
     material  group in  group out legendre nuclide      mean  std. dev.
-12         1         1          1       P0   total  0.388355   0.017343
-13         1         1          1       P1   total  0.037760   0.007560
-14         1         1          1       P2   total  0.019571   0.003664
-15         1         1          1       P3   total  0.018777   0.001216
-8          1         1          2       P0   total  0.000869   0.000953
-9          1         1          2       P1   total -0.000273   0.000454
-10         1         1          2       P2   total  0.000073   0.000131
-11         1         1          2       P3   total  0.000140   0.000168
+12         1         1          1       P0   total  0.387105   0.039252
+13         1         1          1       P1   total  0.044172   0.007262
+14         1         1          1       P2   total  0.027391   0.006776
+15         1         1          1       P3   total  0.011695   0.004994
+8          1         1          2       P0   total  0.000697   0.000566
+9          1         1          2       P1   total -0.000360   0.000313
+10         1         1          2       P2   total -0.000047   0.000087
+11         1         1          2       P3   total  0.000239   0.000187
 4          1         2          1       P0   total  0.000000   0.000000
 5          1         2          1       P1   total  0.000000   0.000000
 6          1         2          1       P2   total  0.000000   0.000000
 7          1         2          1       P3   total  0.000000   0.000000
-0          1         2          2       P0   total  0.395644   0.057288
-1          1         2          2       P1   total  0.019723   0.006004
-2          1         2          2       P2   total -0.005809   0.006300
-3          1         2          2       P3   total  0.002843   0.007248
+0          1         2          2       P0   total  0.395768   0.029278
+1          1         2          2       P1   total  0.020575   0.012851
+2          1         2          2       P2   total  0.010026   0.016739
+3          1         2          2       P3   total  0.004998   0.013335
 chi
    material  group out nuclide  mean  std. dev.
-1         1          1   total   1.0   0.029903
+1         1          1   total   1.0   0.039887
 0         1          2   total   0.0   0.000000
 chi-prompt
    material  group out nuclide  mean  std. dev.
-1         1          1   total   1.0   0.028494
+1         1          1   total   1.0   0.039887
 0         1          2   total   0.0   0.000000
 inverse-velocity
    material  group in nuclide          mean     std. dev.
-1         1         1   total  6.148661e-08  3.647428e-09
-0         1         2   total  2.844242e-06  3.098230e-07
+1         1         1   total  5.956290e-08  2.255751e-09
+0         1         2   total  2.886630e-06  7.418455e-08
 prompt-nu-fission
    material  group in nuclide      mean  std. dev.
-1         1         1   total  0.019154   0.000623
-0         1         2   total  0.464134   0.052528
+1         1         1   total  0.018067   0.000817
+0         1         2   total  0.471762   0.013383
 prompt-nu-fission matrix
    material  group in  group out nuclide      mean  std. dev.
-3         1         1          1   total  0.017516   0.001935
+3         1         1          1   total  0.024633   0.002205
 2         1         1          2   total  0.000000   0.000000
-1         1         2          1   total  0.495450   0.012592
+1         1         2          1   total  0.435159   0.014743
 0         1         2          2   total  0.000000   0.000000
 diffusion-coefficient
    material  group in nuclide      mean  std. dev.
-1         1         1   total  0.881035   0.038500
-0         1         2   total  0.519910   0.049301
+1         1         1   total  0.901559   0.047536
+0         1         2   total  0.517778   0.014675
 nu-diffusion-coefficient
    material  group in nuclide      mean  std. dev.
-1         1         1   total  0.880816   0.038534
-0         1         2   total  0.519910   0.049301
+1         1         1   total  0.901559   0.047536
+0         1         2   total  0.517778   0.014675
 (n,elastic)
    material  group in nuclide      mean  std. dev.
-1         1         1   total  0.361427   0.011879
-0         1         2   total  0.395644   0.031715
+1         1         1   total  0.360179   0.016169
+0         1         2   total  0.395768   0.007541
 (n,level)
    material  group in nuclide      mean  std. dev.
-1         1         1   total  0.000549   0.000035
+1         1         1   total  0.000568   0.000028
 0         1         2   total  0.000000   0.000000
 (n,2n)
    material  group in nuclide      mean  std. dev.
-1         1         1   total  0.000058   0.000012
+1         1         1   total  0.000079   0.000042
 0         1         2   total  0.000000   0.000000
 (n,na)
    material  group in nuclide          mean     std. dev.
-1         1         1   total  4.608391e-11  2.324841e-11
+1         1         1   total  8.510945e-07  8.515320e-07
 0         1         2   total  0.000000e+00  0.000000e+00
 (n,nc)
    material  group in nuclide      mean  std. dev.
-1         1         1   total  0.008349   0.000869
+1         1         1   total  0.008258   0.000928
 0         1         2   total  0.000000   0.000000
 (n,gamma)
    material  group in nuclide      mean  std. dev.
-1         1         1   total  0.019640   0.001935
-0         1         2   total  0.071284   0.007918
+1         1         1   total  0.018749   0.001838
+0         1         2   total  0.072358   0.001951
 (n,a)
    material  group in nuclide      mean  std. dev.
-1         1         1   total  0.000082   0.000016
+1         1         1   total  0.000119   0.000023
 0         1         2   total  0.000000   0.000000
 (n,Xa)
-   material  group in nuclide      mean  std. dev.
-1         1         1   total  0.000082   0.000016
-0         1         2   total  0.000000   0.000000
+   material  group in nuclide     mean  std. dev.
+1         1         1   total  0.00012   0.000022
+0         1         2   total  0.00000   0.000000
 heating
-   material  group in nuclide          mean     std. dev.
-1         1         1   total  1.302118e+06  4.240633e+04
-0         1         2   total  3.235834e+07  3.683247e+06
+   material  group in nuclide          mean      std. dev.
+1         1         1   total  1.216089e+06   54827.397330
+0         1         2   total  3.262993e+07  904277.817101
 damage-energy
    material  group in nuclide         mean   std. dev.
-1         1         1   total  2323.848080  106.914413
-0         1         2   total  1349.749682  152.756195
+1         1         1   total  2317.176742  165.734097
+0         1         2   total  1371.933922   38.919660
 (n,n1)
    material  group in nuclide      mean  std. dev.
-1         1         1   total  0.011709   0.000412
+1         1         1   total  0.012055   0.000759
 0         1         2   total  0.000000   0.000000
 (n,a0)
    material  group in nuclide      mean  std. dev.
-1         1         1   total  0.000076   0.000018
+1         1         1   total  0.000109   0.000028
 0         1         2   total  0.000000   0.000000
 (n,nc) matrix
    material  group in  group out nuclide      mean  std. dev.
-3         1         1          1   total  0.007009   0.000797
+3         1         1          1   total  0.009563   0.001002
 2         1         1          2   total  0.000000   0.000000
 1         1         2          1   total  0.000000   0.000000
 0         1         2          2   total  0.000000   0.000000
 (n,n1) matrix
-   material  group in  group out nuclide     mean  std. dev.
-3         1         1          1   total  0.01209    0.00108
-2         1         1          2   total  0.00000    0.00000
-1         1         2          1   total  0.00000    0.00000
-0         1         2          2   total  0.00000    0.00000
-(n,2n) matrix
    material  group in  group out nuclide      mean  std. dev.
-3         1         1          1   total  0.000175   0.000175
-2         1         1          2   total  0.000000   0.000000
-1         1         2          1   total  0.000000   0.000000
-0         1         2          2   total  0.000000   0.000000
+3         1         1          1   total  0.013909    0.00145
+2         1         1          2   total  0.000000    0.00000
+1         1         2          1   total  0.000000    0.00000
+0         1         2          2   total  0.000000    0.00000
+(n,2n) matrix
+   material  group in  group out nuclide  mean  std. dev.
+3         1         1          1   total   0.0        0.0
+2         1         1          2   total   0.0        0.0
+1         1         2          1   total   0.0        0.0
+0         1         2          2   total   0.0        0.0
 delayed-nu-fission
     material  delayedgroup  group in nuclide      mean     std. dev.
-1          1             1         1   total  0.000004  1.358228e-07
-3          1             2         1   total  0.000027  8.873679e-07
-5          1             3         1   total  0.000028  1.017223e-06
-7          1             4         1   total  0.000071  3.064066e-06
-9          1             5         1   total  0.000039  2.180731e-06
-11         1             6         1   total  0.000016  8.808101e-07
-0          1             1         2   total  0.000106  1.203961e-05
-2          1             2         2   total  0.000549  6.214477e-05
-4          1             3         2   total  0.000524  5.932882e-05
-6          1             4         2   total  0.001175  1.330202e-04
-8          1             5         2   total  0.000482  5.453651e-05
-10         1             6         2   total  0.000202  2.284515e-05
+1          1             1         1   total  0.000004  1.857100e-07
+3          1             2         1   total  0.000025  1.293123e-06
+5          1             3         1   total  0.000026  1.448812e-06
+7          1             4         1   total  0.000068  4.132525e-06
+9          1             5         1   total  0.000037  2.670208e-06
+11         1             6         1   total  0.000015  1.084541e-06
+0          1             1         2   total  0.000108  3.067510e-06
+2          1             2         2   total  0.000558  1.583355e-05
+4          1             3         2   total  0.000533  1.511609e-05
+6          1             4         2   total  0.001195  3.389154e-05
+8          1             5         2   total  0.000490  1.389508e-05
+10         1             6         2   total  0.000205  5.820598e-06
 chi-delayed
     material  delayedgroup  group out nuclide  mean  std. dev.
-1          1             1          1   total   0.0   0.000000
-3          1             2          1   total   1.0   1.414214
-5          1             3          1   total   0.0   0.000000
-7          1             4          1   total   1.0   1.414214
-9          1             5          1   total   1.0   1.414214
-11         1             6          1   total   0.0   0.000000
-0          1             1          2   total   0.0   0.000000
-2          1             2          2   total   0.0   0.000000
-4          1             3          2   total   0.0   0.000000
-6          1             4          2   total   0.0   0.000000
-8          1             5          2   total   0.0   0.000000
-10         1             6          2   total   0.0   0.000000
+1          1             1          1   total   0.0        0.0
+3          1             2          1   total   0.0        0.0
+5          1             3          1   total   0.0        0.0
+7          1             4          1   total   0.0        0.0
+9          1             5          1   total   0.0        0.0
+11         1             6          1   total   0.0        0.0
+0          1             1          2   total   0.0        0.0
+2          1             2          2   total   0.0        0.0
+4          1             3          2   total   0.0        0.0
+6          1             4          2   total   0.0        0.0
+8          1             5          2   total   0.0        0.0
+10         1             6          2   total   0.0        0.0
 beta
     material  delayedgroup  group in nuclide      mean  std. dev.
-1          1             1         1   total  0.000225   0.000006
-3          1             2         1   total  0.001373   0.000038
-5          1             3         1   total  0.001433   0.000045
-7          1             4         1   total  0.003692   0.000142
-9          1             5         1   total  0.002016   0.000106
-11         1             6         1   total  0.000827   0.000043
-0          1             1         2   total  0.000228   0.000032
-2          1             2         2   total  0.001175   0.000163
-4          1             3         2   total  0.001122   0.000156
-6          1             4         2   total  0.002516   0.000349
-8          1             5         2   total  0.001031   0.000143
-10         1             6         2   total  0.000432   0.000060
+1          1             1         1   total  0.000223   0.000009
+3          1             2         1   total  0.001375   0.000067
+5          1             3         1   total  0.001439   0.000076
+7          1             4         1   total  0.003724   0.000217
+9          1             5         1   total  0.002049   0.000142
+11         1             6         1   total  0.000840   0.000058
+0          1             1         2   total  0.000228   0.000008
+2          1             2         2   total  0.001175   0.000041
+4          1             3         2   total  0.001122   0.000040
+6          1             4         2   total  0.002516   0.000089
+8          1             5         2   total  0.001031   0.000036
+10         1             6         2   total  0.000432   0.000015
 decay-rate
    material  delayedgroup nuclide      mean  std. dev.
-0         1             1   total  0.013356   0.001466
-1         1             2   total  0.032598   0.003432
-2         1             3   total  0.121086   0.012382
-3         1             4   total  0.305945   0.029907
-4         1             5   total  0.862061   0.077144
-5         1             6   total  2.895499   0.260691
+0         1             1   total  0.013353   0.000379
+1         1             2   total  0.032612   0.001002
+2         1             3   total  0.121056   0.003938
+3         1             4   total  0.305642   0.010892
+4         1             5   total  0.860947   0.036893
+5         1             6   total  2.891708   0.122310
 delayed-nu-fission matrix
-    material  delayedgroup  group in  group out nuclide      mean  std. dev.
-3          1             1         1          1   total  0.000000   0.000000
-7          1             2         1          1   total  0.000000   0.000000
-11         1             3         1          1   total  0.000000   0.000000
-15         1             4         1          1   total  0.000000   0.000000
-19         1             5         1          1   total  0.000000   0.000000
-23         1             6         1          1   total  0.000000   0.000000
-2          1             1         1          2   total  0.000000   0.000000
-6          1             2         1          2   total  0.000000   0.000000
-10         1             3         1          2   total  0.000000   0.000000
-14         1             4         1          2   total  0.000000   0.000000
-18         1             5         1          2   total  0.000000   0.000000
-22         1             6         1          2   total  0.000000   0.000000
-1          1             1         2          1   total  0.000000   0.000000
-5          1             2         2          1   total  0.001133   0.001133
-9          1             3         2          1   total  0.000000   0.000000
-13         1             4         2          1   total  0.000988   0.000989
-17         1             5         2          1   total  0.001109   0.001109
-21         1             6         2          1   total  0.000000   0.000000
-0          1             1         2          2   total  0.000000   0.000000
-4          1             2         2          2   total  0.000000   0.000000
-8          1             3         2          2   total  0.000000   0.000000
-12         1             4         2          2   total  0.000000   0.000000
-16         1             5         2          2   total  0.000000   0.000000
-20         1             6         2          2   total  0.000000   0.000000
+    material  delayedgroup  group in  group out nuclide  mean  std. dev.
+3          1             1         1          1   total   0.0        0.0
+7          1             2         1          1   total   0.0        0.0
+11         1             3         1          1   total   0.0        0.0
+15         1             4         1          1   total   0.0        0.0
+19         1             5         1          1   total   0.0        0.0
+23         1             6         1          1   total   0.0        0.0
+2          1             1         1          2   total   0.0        0.0
+6          1             2         1          2   total   0.0        0.0
+10         1             3         1          2   total   0.0        0.0
+14         1             4         1          2   total   0.0        0.0
+18         1             5         1          2   total   0.0        0.0
+22         1             6         1          2   total   0.0        0.0
+1          1             1         2          1   total   0.0        0.0
+5          1             2         2          1   total   0.0        0.0
+9          1             3         2          1   total   0.0        0.0
+13         1             4         2          1   total   0.0        0.0
+17         1             5         2          1   total   0.0        0.0
+21         1             6         2          1   total   0.0        0.0
+0          1             1         2          2   total   0.0        0.0
+4          1             2         2          2   total   0.0        0.0
+8          1             3         2          2   total   0.0        0.0
+12         1             4         2          2   total   0.0        0.0
+16         1             5         2          2   total   0.0        0.0
+20         1             6         2          2   total   0.0        0.0
 total
    material  group in nuclide      mean  std. dev.
-1         2         1   total  0.312441   0.009893
-0         2         2   total  0.300527   0.023155
+1         2         1   total  0.313574   0.016009
+0         2         2   total  0.300858   0.005911
 transport
    material  group in nuclide      mean  std. dev.
-1         2         1   total  0.275347   0.016021
-0         2         2   total  0.300167   0.026917
+1         2         1   total  0.266154   0.017348
+0         2         2   total  0.300597   0.011062
 nu-transport
    material  group in nuclide      mean  std. dev.
-1         2         1   total  0.275347   0.016021
-0         2         2   total  0.300167   0.026917
+1         2         1   total  0.266154   0.017348
+0         2         2   total  0.300597   0.011062
 absorption
-   material  group in nuclide      mean  std. dev.
-1         2         1   total  0.001395   0.000129
-0         2         2   total  0.005202   0.000498
+   material  group in nuclide     mean  std. dev.
+1         2         1   total  0.00150   0.000118
+0         2         2   total  0.00542   0.000201
 reduced absorption
    material  group in nuclide      mean  std. dev.
-1         2         1   total  0.001390   0.000129
-0         2         2   total  0.005202   0.000498
+1         2         1   total  0.001481   0.000119
+0         2         2   total  0.005420   0.000201
 capture
-   material  group in nuclide      mean  std. dev.
-1         2         1   total  0.001395   0.000129
-0         2         2   total  0.005202   0.000498
+   material  group in nuclide     mean  std. dev.
+1         2         1   total  0.00150   0.000118
+0         2         2   total  0.00542   0.000201
 fission
    material  group in nuclide  mean  std. dev.
 1         2         1   total   0.0        0.0
@@ -342,54 +342,54 @@ kappa-fission
 0         2         2   total   0.0        0.0
 scatter
    material  group in nuclide      mean  std. dev.
-1         2         1   total  0.311046   0.009880
-0         2         2   total  0.295325   0.022678
+1         2         1   total  0.312074   0.015934
+0         2         2   total  0.295438   0.005743
 nu-scatter
    material  group in nuclide      mean  std. dev.
-1         2         1   total  0.310433   0.013519
-0         2         2   total  0.287667   0.061288
+1         2         1   total  0.318594   0.023203
+0         2         2   total  0.295662   0.031486
 scatter matrix
-    material  group in  group out legendre nuclide          mean     std. dev.
-12         2         1          1       P0   total  3.099468e-01  1.368691e-02
-13         2         1          1       P1   total  3.709418e-02  1.260219e-02
-14         2         1          1       P2   total  2.620103e-02  2.237097e-03
-15         2         1          1       P3   total  1.039112e-02  2.917283e-03
-8          2         1          2       P0   total  4.858100e-04  4.860246e-04
-9          2         1          2       P1   total  3.762752e-04  3.764414e-04
-10         2         1          2       P2   total  1.942506e-04  1.943364e-04
-11         2         1          2       P3   total -9.482181e-08  9.486370e-08
-4          2         2          1       P0   total  0.000000e+00  0.000000e+00
-5          2         2          1       P1   total  0.000000e+00  0.000000e+00
-6          2         2          1       P2   total  0.000000e+00  0.000000e+00
-7          2         2          1       P3   total  0.000000e+00  0.000000e+00
-0          2         2          2       P0   total  2.876667e-01  6.128794e-02
-1          2         2          2       P1   total -2.172735e-03  1.616275e-02
-2          2         2          2       P2   total  9.596560e-03  1.756046e-02
-3          2         2          2       P3   total -5.006322e-03  1.249952e-02
+    material  group in  group out legendre nuclide      mean  std. dev.
+12         2         1          1       P0   total  0.318594   0.023203
+13         2         1          1       P1   total  0.047420   0.006684
+14         2         1          1       P2   total  0.029426   0.008048
+15         2         1          1       P3   total  0.007335   0.004092
+8          2         1          2       P0   total  0.000000   0.000000
+9          2         1          2       P1   total  0.000000   0.000000
+10         2         1          2       P2   total  0.000000   0.000000
+11         2         1          2       P3   total  0.000000   0.000000
+4          2         2          1       P0   total  0.000000   0.000000
+5          2         2          1       P1   total  0.000000   0.000000
+6          2         2          1       P2   total  0.000000   0.000000
+7          2         2          1       P3   total  0.000000   0.000000
+0          2         2          2       P0   total  0.295662   0.031486
+1          2         2          2       P1   total  0.000261   0.009350
+2          2         2          2       P2   total -0.004912   0.007866
+3          2         2          2       P3   total -0.018278   0.012339
 nu-scatter matrix
-    material  group in  group out legendre nuclide          mean     std. dev.
-12         2         1          1       P0   total  3.099468e-01  1.368691e-02
-13         2         1          1       P1   total  3.709418e-02  1.260219e-02
-14         2         1          1       P2   total  2.620103e-02  2.237097e-03
-15         2         1          1       P3   total  1.039112e-02  2.917283e-03
-8          2         1          2       P0   total  4.858100e-04  4.860246e-04
-9          2         1          2       P1   total  3.762752e-04  3.764414e-04
-10         2         1          2       P2   total  1.942506e-04  1.943364e-04
-11         2         1          2       P3   total -9.482181e-08  9.486370e-08
-4          2         2          1       P0   total  0.000000e+00  0.000000e+00
-5          2         2          1       P1   total  0.000000e+00  0.000000e+00
-6          2         2          1       P2   total  0.000000e+00  0.000000e+00
-7          2         2          1       P3   total  0.000000e+00  0.000000e+00
-0          2         2          2       P0   total  2.876667e-01  6.128794e-02
-1          2         2          2       P1   total -2.172735e-03  1.616275e-02
-2          2         2          2       P2   total  9.596560e-03  1.756046e-02
-3          2         2          2       P3   total -5.006322e-03  1.249952e-02
+    material  group in  group out legendre nuclide      mean  std. dev.
+12         2         1          1       P0   total  0.318594   0.023203
+13         2         1          1       P1   total  0.047420   0.006684
+14         2         1          1       P2   total  0.029426   0.008048
+15         2         1          1       P3   total  0.007335   0.004092
+8          2         1          2       P0   total  0.000000   0.000000
+9          2         1          2       P1   total  0.000000   0.000000
+10         2         1          2       P2   total  0.000000   0.000000
+11         2         1          2       P3   total  0.000000   0.000000
+4          2         2          1       P0   total  0.000000   0.000000
+5          2         2          1       P1   total  0.000000   0.000000
+6          2         2          1       P2   total  0.000000   0.000000
+7          2         2          1       P3   total  0.000000   0.000000
+0          2         2          2       P0   total  0.295662   0.031486
+1          2         2          2       P1   total  0.000261   0.009350
+2          2         2          2       P2   total -0.004912   0.007866
+3          2         2          2       P3   total -0.018278   0.012339
 multiplicity matrix
    material  group in  group out nuclide  mean  std. dev.
-3         2         1          1   total   1.0   0.046178
-2         2         1          2   total   1.0   1.414214
+3         2         1          1   total   1.0   0.071770
+2         2         1          2   total   0.0   0.000000
 1         2         2          1   total   0.0   0.000000
-0         2         2          2   total   1.0   0.204230
+0         2         2          2   total   1.0   0.103652
 nu-fission matrix
    material  group in  group out nuclide  mean  std. dev.
 3         2         1          1   total   0.0        0.0
@@ -397,47 +397,47 @@ nu-fission matrix
 1         2         2          1   total   0.0        0.0
 0         2         2          2   total   0.0        0.0
 scatter probability matrix
-   material  group in  group out nuclide      mean  std. dev.
-3         2         1          1   total  0.998435   0.046097
-2         2         1          2   total  0.001565   0.001566
-1         2         2          1   total  0.000000   0.000000
-0         2         2          2   total  1.000000   0.204230
+   material  group in  group out nuclide  mean  std. dev.
+3         2         1          1   total   1.0   0.071770
+2         2         1          2   total   0.0   0.000000
+1         2         2          1   total   0.0   0.000000
+0         2         2          2   total   1.0   0.103652
 consistent scatter matrix
-    material  group in  group out legendre nuclide          mean     std. dev.
-12         2         1          1       P0   total  3.105594e-01  1.740367e-02
-13         2         1          1       P1   total  3.716750e-02  1.269205e-02
-14         2         1          1       P2   total  2.625282e-02  2.417618e-03
-15         2         1          1       P3   total  1.041166e-02  2.945041e-03
-8          2         1          2       P0   total  4.867703e-04  4.872749e-04
-9          2         1          2       P1   total  3.770190e-04  3.774098e-04
-10         2         1          2       P2   total  1.946345e-04  1.948363e-04
-11         2         1          2       P3   total -9.500924e-08  9.510772e-08
-4          2         2          1       P0   total  0.000000e+00  0.000000e+00
-5          2         2          1       P1   total  0.000000e+00  0.000000e+00
-6          2         2          1       P2   total  0.000000e+00  0.000000e+00
-7          2         2          1       P3   total  0.000000e+00  0.000000e+00
-0          2         2          2       P0   total  2.953250e-01  6.443681e-02
-1          2         2          2       P1   total -2.230578e-03  1.659337e-02
-2          2         2          2       P2   total  9.852041e-03  1.803392e-02
-3          2         2          2       P3   total -5.139601e-03  1.283456e-02
+    material  group in  group out legendre nuclide      mean  std. dev.
+12         2         1          1       P0   total  0.312074   0.027487
+13         2         1          1       P1   total  0.046450   0.006939
+14         2         1          1       P2   total  0.028824   0.008012
+15         2         1          1       P3   total  0.007185   0.004024
+8          2         1          2       P0   total  0.000000   0.000000
+9          2         1          2       P1   total  0.000000   0.000000
+10         2         1          2       P2   total  0.000000   0.000000
+11         2         1          2       P3   total  0.000000   0.000000
+4          2         2          1       P0   total  0.000000   0.000000
+5          2         2          1       P1   total  0.000000   0.000000
+6          2         2          1       P2   total  0.000000   0.000000
+7          2         2          1       P3   total  0.000000   0.000000
+0          2         2          2       P0   total  0.295438   0.031157
+1          2         2          2       P1   total  0.000261   0.009343
+2          2         2          2       P2   total -0.004909   0.007859
+3          2         2          2       P3   total -0.018264   0.012327
 consistent nu-scatter matrix
-    material  group in  group out legendre nuclide          mean     std. dev.
-12         2         1          1       P0   total  3.105594e-01  2.255119e-02
-13         2         1          1       P1   total  3.716750e-02  1.280757e-02
-14         2         1          1       P2   total  2.625282e-02  2.704548e-03
-15         2         1          1       P3   total  1.041166e-02  2.984029e-03
-8          2         1          2       P0   total  4.867703e-04  8.434023e-04
-9          2         1          2       P1   total  3.770190e-04  6.532417e-04
-10         2         1          2       P2   total  1.946345e-04  3.372334e-04
-11         2         1          2       P3   total -9.500924e-08  1.646177e-07
-4          2         2          1       P0   total  0.000000e+00  0.000000e+00
-5          2         2          1       P1   total  0.000000e+00  0.000000e+00
-6          2         2          1       P2   total  0.000000e+00  0.000000e+00
-7          2         2          1       P3   total  0.000000e+00  0.000000e+00
-0          2         2          2       P0   total  2.953250e-01  8.826037e-02
-1          2         2          2       P1   total -2.230578e-03  1.659963e-02
-2          2         2          2       P2   total  9.852041e-03  1.814582e-02
-3          2         2          2       P3   total -5.139601e-03  1.287741e-02
+    material  group in  group out legendre nuclide      mean  std. dev.
+12         2         1          1       P0   total  0.312074   0.035456
+13         2         1          1       P1   total  0.046450   0.007699
+14         2         1          1       P2   total  0.028824   0.008274
+15         2         1          1       P3   total  0.007185   0.004057
+8          2         1          2       P0   total  0.000000   0.000000
+9          2         1          2       P1   total  0.000000   0.000000
+10         2         1          2       P2   total  0.000000   0.000000
+11         2         1          2       P3   total  0.000000   0.000000
+4          2         2          1       P0   total  0.000000   0.000000
+5          2         2          1       P1   total  0.000000   0.000000
+6          2         2          1       P2   total  0.000000   0.000000
+7          2         2          1       P3   total  0.000000   0.000000
+0          2         2          2       P0   total  0.295438   0.043686
+1          2         2          2       P1   total  0.000261   0.009343
+2          2         2          2       P2   total -0.004909   0.007876
+3          2         2          2       P3   total -0.018264   0.012471
 chi
    material  group out nuclide  mean  std. dev.
 1         2          1   total   0.0        0.0
@@ -448,8 +448,8 @@ chi-prompt
 0         2          2   total   0.0        0.0
 inverse-velocity
    material  group in nuclide          mean     std. dev.
-1         2         1   total  6.397205e-08  3.117085e-09
-0         2         2   total  2.875630e-06  2.751728e-07
+1         2         1   total  6.076563e-08  2.727519e-09
+0         2         2   total  2.996176e-06  1.110140e-07
 prompt-nu-fission
    material  group in nuclide  mean  std. dev.
 1         2         1   total   0.0        0.0
@@ -462,69 +462,69 @@ prompt-nu-fission matrix
 0         2         2          2   total   0.0        0.0
 diffusion-coefficient
    material  group in nuclide      mean  std. dev.
-1         2         1   total  1.210594   0.070439
-0         2         2   total  1.110491   0.099580
+1         2         1   total  1.252406   0.081631
+0         2         2   total  1.108904   0.040809
 nu-diffusion-coefficient
    material  group in nuclide      mean  std. dev.
-1         2         1   total  1.210594   0.070439
-0         2         2   total  1.110491   0.099580
+1         2         1   total  1.252406   0.081631
+0         2         2   total  1.108904   0.040809
 (n,elastic)
    material  group in nuclide      mean  std. dev.
-1         2         1   total  0.301494   0.009403
-0         2         2   total  0.295325   0.022678
+1         2         1   total  0.302664   0.015531
+0         2         2   total  0.295438   0.005743
 (n,level)
    material  group in nuclide  mean  std. dev.
 1         2         1   total   0.0        0.0
 0         2         2   total   0.0        0.0
 (n,2n)
    material  group in nuclide      mean  std. dev.
-1         2         1   total  0.000005   0.000003
+1         2         1   total  0.000019   0.000017
 0         2         2   total  0.000000   0.000000
 (n,na)
    material  group in nuclide          mean     std. dev.
-1         2         1   total  1.085156e-09  6.357350e-10
+1         2         1   total  4.892570e-09  4.436228e-09
 0         2         2   total  0.000000e+00  0.000000e+00
 (n,nc)
    material  group in nuclide      mean  std. dev.
-1         2         1   total  0.001947   0.000276
+1         2         1   total  0.001998   0.000408
 0         2         2   total  0.000000   0.000000
 (n,gamma)
    material  group in nuclide      mean  std. dev.
-1         2         1   total  0.001392   0.000128
-0         2         2   total  0.005201   0.000498
+1         2         1   total  0.001497   0.000118
+0         2         2   total  0.005419   0.000201
 (n,a)
    material  group in nuclide          mean     std. dev.
-1         2         1   total  8.373873e-07  5.295954e-08
-0         2         2   total  2.735007e-07  2.100237e-08
+1         2         1   total  9.546292e-07  9.180854e-08
+0         2         2   total  2.736059e-07  5.318732e-09
 (n,Xa)
    material  group in nuclide          mean     std. dev.
-1         2         1   total  8.384725e-07  5.277215e-08
-0         2         2   total  2.735007e-07  2.100237e-08
+1         2         1   total  9.595218e-07  9.558005e-08
+0         2         2   total  2.736059e-07  5.318732e-09
 heating
    material  group in nuclide         mean   std. dev.
-1         2         1   total  2151.700349  142.319459
-0         2         2   total     1.947222    0.155279
+1         2         1   total  2551.878627  212.765665
+0         2         2   total     2.332139    0.087384
 damage-energy
-   material  group in nuclide         mean  std. dev.
-1         2         1   total  1591.760682  90.145807
-0         2         2   total     0.284888   0.026354
+   material  group in nuclide         mean   std. dev.
+1         2         1   total  1585.677533  130.382718
+0         2         2   total     0.295108    0.010079
 (n,n1)
    material  group in nuclide      mean  std. dev.
-1         2         1   total  0.002962    0.00032
-0         2         2   total  0.000000    0.00000
+1         2         1   total  0.002835   0.000246
+0         2         2   total  0.000000   0.000000
 (n,a0)
    material  group in nuclide          mean     std. dev.
-1         2         1   total  7.199126e-07  5.011215e-08
-0         2         2   total  2.732253e-07  2.098122e-08
+1         2         1   total  7.169006e-07  6.251188e-08
+0         2         2   total  2.733303e-07  5.313375e-09
 (n,nc) matrix
    material  group in  group out nuclide      mean  std. dev.
-3         2         1          1   total  0.002915   0.000493
+3         2         1          1   total  0.001489   0.001491
 2         2         1          2   total  0.000000   0.000000
 1         2         2          1   total  0.000000   0.000000
 0         2         2          2   total  0.000000   0.000000
 (n,n1) matrix
    material  group in  group out nuclide      mean  std. dev.
-3         2         1          1   total  0.002429   0.001332
+3         2         1          1   total  0.001985   0.000507
 2         2         1          2   total  0.000000   0.000000
 1         2         2          1   total  0.000000   0.000000
 0         2         2          2   total  0.000000   0.000000
@@ -612,28 +612,28 @@ delayed-nu-fission matrix
 20         2             6         2          2   total   0.0        0.0
 total
    material  group in nuclide      mean  std. dev.
-1         3         1   total  0.684512   0.015513
-0         3         2   total  2.038387   0.113839
+1         3         1   total  0.682896   0.024140
+0         3         2   total  2.032938   0.085675
 transport
    material  group in nuclide      mean  std. dev.
-1         3         1   total  0.291947   0.019086
-0         3         2   total  1.464248   0.116005
+1         3         1   total  0.298986   0.026905
+0         3         2   total  1.471887   0.096907
 nu-transport
    material  group in nuclide      mean  std. dev.
-1         3         1   total  0.291947   0.019086
-0         3         2   total  1.464248   0.116005
+1         3         1   total  0.298986   0.026905
+0         3         2   total  1.471887   0.096907
 absorption
    material  group in nuclide      mean  std. dev.
-1         3         1   total  0.000715   0.000032
-0         3         2   total  0.031290   0.001882
+1         3         1   total  0.000693   0.000020
+0         3         2   total  0.031171   0.001403
 reduced absorption
    material  group in nuclide      mean  std. dev.
-1         3         1   total  0.000715   0.000032
-0         3         2   total  0.031290   0.001882
+1         3         1   total  0.000693   0.000020
+0         3         2   total  0.031171   0.001403
 capture
    material  group in nuclide      mean  std. dev.
-1         3         1   total  0.000715   0.000032
-0         3         2   total  0.031290   0.001882
+1         3         1   total  0.000693   0.000020
+0         3         2   total  0.031171   0.001403
 fission
    material  group in nuclide  mean  std. dev.
 1         3         1   total   0.0        0.0
@@ -648,54 +648,54 @@ kappa-fission
 0         3         2   total   0.0        0.0
 scatter
    material  group in nuclide      mean  std. dev.
-1         3         1   total  0.683797   0.015496
-0         3         2   total  2.007097   0.111979
+1         3         1   total  0.682202   0.024123
+0         3         2   total  2.001768   0.084281
 nu-scatter
    material  group in nuclide      mean  std. dev.
-1         3         1   total  0.684650   0.017888
-0         3         2   total  1.992357   0.090997
+1         3         1   total  0.672567   0.017434
+0         3         2   total  2.004576   0.129211
 scatter matrix
     material  group in  group out legendre nuclide      mean  std. dev.
-12         3         1          1       P0   total  0.654867   0.017215
-13         3         1          1       P1   total  0.392566   0.011118
-14         3         1          1       P2   total  0.165345   0.005121
-15         3         1          1       P3   total  0.016963   0.003137
-8          3         1          2       P0   total  0.029783   0.000974
-9          3         1          2       P1   total  0.008810   0.000479
-10         3         1          2       P2   total -0.002652   0.000630
-11         3         1          2       P3   total -0.002872   0.000517
-4          3         2          1       P0   total  0.000000   0.000000
-5          3         2          1       P1   total  0.000000   0.000000
-6          3         2          1       P2   total  0.000000   0.000000
-7          3         2          1       P3   total  0.000000   0.000000
-0          3         2          2       P0   total  1.992357   0.090997
-1          3         2          2       P1   total  0.526383   0.022569
-2          3         2          2       P2   total  0.108016   0.009047
-3          3         2          2       P3   total  0.016856   0.010707
+12         3         1          1       P0   total  0.641741   0.016600
+13         3         1          1       P1   total  0.383841   0.011878
+14         3         1          1       P2   total  0.149909   0.005512
+15         3         1          1       P3   total  0.004238   0.002485
+8          3         1          2       P0   total  0.030826   0.000973
+9          3         1          2       P1   total  0.009943   0.000415
+10         3         1          2       P2   total -0.003002   0.000628
+11         3         1          2       P3   total -0.004234   0.000393
+4          3         2          1       P0   total  0.000467   0.000467
+5          3         2          1       P1   total  0.000345   0.000345
+6          3         2          1       P2   total  0.000149   0.000149
+7          3         2          1       P3   total -0.000047   0.000047
+0          3         2          2       P0   total  2.004109   0.129225
+1          3         2          2       P1   total  0.511363   0.043448
+2          3         2          2       P2   total  0.108599   0.014070
+3          3         2          2       P3   total  0.035733   0.021921
 nu-scatter matrix
     material  group in  group out legendre nuclide      mean  std. dev.
-12         3         1          1       P0   total  0.654867   0.017215
-13         3         1          1       P1   total  0.392566   0.011118
-14         3         1          1       P2   total  0.165345   0.005121
-15         3         1          1       P3   total  0.016963   0.003137
-8          3         1          2       P0   total  0.029783   0.000974
-9          3         1          2       P1   total  0.008810   0.000479
-10         3         1          2       P2   total -0.002652   0.000630
-11         3         1          2       P3   total -0.002872   0.000517
-4          3         2          1       P0   total  0.000000   0.000000
-5          3         2          1       P1   total  0.000000   0.000000
-6          3         2          1       P2   total  0.000000   0.000000
-7          3         2          1       P3   total  0.000000   0.000000
-0          3         2          2       P0   total  1.992357   0.090997
-1          3         2          2       P1   total  0.526383   0.022569
-2          3         2          2       P2   total  0.108016   0.009047
-3          3         2          2       P3   total  0.016856   0.010707
+12         3         1          1       P0   total  0.641741   0.016600
+13         3         1          1       P1   total  0.383841   0.011878
+14         3         1          1       P2   total  0.149909   0.005512
+15         3         1          1       P3   total  0.004238   0.002485
+8          3         1          2       P0   total  0.030826   0.000973
+9          3         1          2       P1   total  0.009943   0.000415
+10         3         1          2       P2   total -0.003002   0.000628
+11         3         1          2       P3   total -0.004234   0.000393
+4          3         2          1       P0   total  0.000467   0.000467
+5          3         2          1       P1   total  0.000345   0.000345
+6          3         2          1       P2   total  0.000149   0.000149
+7          3         2          1       P3   total -0.000047   0.000047
+0          3         2          2       P0   total  2.004109   0.129225
+1          3         2          2       P1   total  0.511363   0.043448
+2          3         2          2       P2   total  0.108599   0.014070
+3          3         2          2       P3   total  0.035733   0.021921
 multiplicity matrix
    material  group in  group out nuclide  mean  std. dev.
-3         3         1          1   total   1.0   0.020014
-2         3         1          2   total   1.0   0.034047
-1         3         2          1   total   0.0   0.000000
-0         3         2          2   total   1.0   0.048455
+3         3         1          1   total   1.0   0.022200
+2         3         1          2   total   1.0   0.033880
+1         3         2          1   total   1.0   1.414214
+0         3         2          2   total   1.0   0.066922
 nu-fission matrix
    material  group in  group out nuclide  mean  std. dev.
 3         3         1          1   total   0.0        0.0
@@ -704,46 +704,46 @@ nu-fission matrix
 0         3         2          2   total   0.0        0.0
 scatter probability matrix
    material  group in  group out nuclide      mean  std. dev.
-3         3         1          1   total  0.956499   0.018759
-2         3         1          2   total  0.043501   0.001202
-1         3         2          1   total  0.000000   0.000000
-0         3         2          2   total  1.000000   0.048455
+3         3         1          1   total  0.954167   0.020729
+2         3         1          2   total  0.045833   0.001296
+1         3         2          1   total  0.000233   0.000233
+0         3         2          2   total  0.999767   0.066899
 consistent scatter matrix
     material  group in  group out legendre nuclide      mean  std. dev.
-12         3         1          1       P0   total  0.654051   0.019602
-13         3         1          1       P1   total  0.392076   0.012456
-14         3         1          1       P2   total  0.165139   0.005640
-15         3         1          1       P3   total  0.016942   0.003143
-8          3         1          2       P0   total  0.029746   0.001063
-9          3         1          2       P1   total  0.008799   0.000495
-10         3         1          2       P2   total -0.002648   0.000631
-11         3         1          2       P3   total -0.002868   0.000518
-4          3         2          1       P0   total  0.000000   0.000000
-5          3         2          1       P1   total  0.000000   0.000000
-6          3         2          1       P2   total  0.000000   0.000000
-7          3         2          1       P3   total  0.000000   0.000000
-0          3         2          2       P0   total  2.007097   0.148316
-1          3         2          2       P1   total  0.530278   0.038286
-2          3         2          2       P2   total  0.108815   0.011091
-3          3         2          2       P3   total  0.016981   0.010831
+12         3         1          1       P0   total  0.650935   0.027014
+13         3         1          1       P1   total  0.389340   0.017459
+14         3         1          1       P2   total  0.152056   0.007457
+15         3         1          1       P3   total  0.004299   0.002525
+8          3         1          2       P0   total  0.031268   0.001416
+9          3         1          2       P1   total  0.010085   0.000533
+10         3         1          2       P2   total -0.003045   0.000645
+11         3         1          2       P3   total -0.004295   0.000423
+4          3         2          1       P0   total  0.000466   0.000467
+5          3         2          1       P1   total  0.000344   0.000345
+6          3         2          1       P2   total  0.000148   0.000149
+7          3         2          1       P3   total -0.000047   0.000047
+0          3         2          2       P0   total  2.001301   0.158219
+1          3         2          2       P1   total  0.510647   0.049275
+2          3         2          2       P2   total  0.108446   0.014900
+3          3         2          2       P3   total  0.035683   0.021951
 consistent nu-scatter matrix
     material  group in  group out legendre nuclide      mean  std. dev.
-12         3         1          1       P0   total  0.654051   0.023571
-13         3         1          1       P1   total  0.392076   0.014722
-14         3         1          1       P2   total  0.165139   0.006537
-15         3         1          1       P3   total  0.016942   0.003161
-8          3         1          2       P0   total  0.029746   0.001468
-9          3         1          2       P1   total  0.008799   0.000579
-10         3         1          2       P2   total -0.002648   0.000637
-11         3         1          2       P3   total -0.002868   0.000528
-4          3         2          1       P0   total  0.000000   0.000000
-5          3         2          1       P1   total  0.000000   0.000000
-6          3         2          1       P2   total  0.000000   0.000000
-7          3         2          1       P3   total  0.000000   0.000000
-0          3         2          2       P0   total  2.007097   0.177359
-1          3         2          2       P1   total  0.530278   0.046109
-2          3         2          2       P2   total  0.108815   0.012281
-3          3         2          2       P3   total  0.016981   0.010862
+12         3         1          1       P0   total  0.650935   0.030637
+13         3         1          1       P1   total  0.389340   0.019481
+14         3         1          1       P2   total  0.152056   0.008185
+15         3         1          1       P3   total  0.004299   0.002526
+8          3         1          2       P0   total  0.031268   0.001768
+9          3         1          2       P1   total  0.010085   0.000633
+10         3         1          2       P2   total -0.003045   0.000653
+11         3         1          2       P3   total -0.004295   0.000447
+4          3         2          1       P0   total  0.000466   0.000808
+5          3         2          1       P1   total  0.000344   0.000597
+6          3         2          1       P2   total  0.000148   0.000257
+7          3         2          1       P3   total -0.000047   0.000081
+0          3         2          2       P0   total  2.001301   0.207294
+1          3         2          2       P1   total  0.510647   0.059966
+2          3         2          2       P2   total  0.108446   0.016574
+3          3         2          2       P3   total  0.035683   0.022080
 chi
    material  group out nuclide  mean  std. dev.
 1         3          1   total   0.0        0.0
@@ -754,8 +754,8 @@ chi-prompt
 0         3          2   total   0.0        0.0
 inverse-velocity
    material  group in nuclide          mean     std. dev.
-1         3         1   total  6.447429e-08  2.866173e-09
-0         3         2   total  3.006810e-06  1.808750e-07
+1         3         1   total  6.023693e-08  1.678511e-09
+0         3         2   total  2.995346e-06  1.347817e-07
 prompt-nu-fission
    material  group in nuclide  mean  std. dev.
 1         3         1   total   0.0        0.0
@@ -768,60 +768,60 @@ prompt-nu-fission matrix
 0         3         2          2   total   0.0        0.0
 diffusion-coefficient
    material  group in nuclide      mean  std. dev.
-1         3         1   total  1.141761   0.074641
-0         3         2   total  0.227648   0.018035
+1         3         1   total  1.114881   0.100326
+0         3         2   total  0.226467   0.014910
 nu-diffusion-coefficient
    material  group in nuclide      mean  std. dev.
-1         3         1   total  1.141761   0.074641
-0         3         2   total  0.227648   0.018035
+1         3         1   total  1.114881   0.100326
+0         3         2   total  0.226467   0.014910
 (n,elastic)
    material  group in nuclide      mean  std. dev.
-1         3         1   total  0.683777   0.015496
-0         3         2   total  2.007097   0.111979
+1         3         1   total  0.682168   0.024125
+0         3         2   total  2.001768   0.084281
 (n,level)
-   material  group in nuclide     mean  std. dev.
-1         3         1   total  0.00002   0.000006
-0         3         2   total  0.00000   0.000000
+   material  group in nuclide      mean  std. dev.
+1         3         1   total  0.000033   0.000019
+0         3         2   total  0.000000   0.000000
 (n,2n)
    material  group in nuclide  mean  std. dev.
 1         3         1   total   0.0        0.0
 0         3         2   total   0.0        0.0
 (n,na)
    material  group in nuclide          mean     std. dev.
-1         3         1   total  3.714897e-11  2.058007e-11
+1         3         1   total  9.967562e-07  9.970492e-07
 0         3         2   total  0.000000e+00  0.000000e+00
 (n,nc)
-   material  group in nuclide  mean  std. dev.
-1         3         1   total   0.0        0.0
-0         3         2   total   0.0        0.0
+   material  group in nuclide          mean     std. dev.
+1         3         1   total  8.867935e-07  8.870902e-07
+0         3         2   total  0.000000e+00  0.000000e+00
 (n,gamma)
    material  group in nuclide      mean  std. dev.
-1         3         1   total  0.000234   0.000010
-0         3         2   total  0.010896   0.000655
+1         3         1   total  0.000219   0.000006
+0         3         2   total  0.010855   0.000488
 (n,a)
    material  group in nuclide      mean  std. dev.
-1         3         1   total  0.000481   0.000022
-0         3         2   total  0.020394   0.001227
+1         3         1   total  0.000474   0.000015
+0         3         2   total  0.020316   0.000914
 (n,Xa)
    material  group in nuclide      mean  std. dev.
-1         3         1   total  0.000481   0.000022
-0         3         2   total  0.020394   0.001227
+1         3         1   total  0.000475   0.000015
+0         3         2   total  0.020316   0.000914
 heating
    material  group in nuclide          mean    std. dev.
-1         3         1   total  64982.284489  3654.924951
-0         3         2   total  49786.819570  2967.698779
+1         3         1   total  77986.174023  6103.108384
+0         3         2   total  59060.658662  3576.641806
 damage-energy
    material  group in nuclide         mean  std. dev.
-1         3         1   total  1147.965123  36.313921
-0         3         2   total   332.961479  20.030541
+1         3         1   total  1107.847239  59.901669
+0         3         2   total   331.691439  14.926212
 (n,n1)
-   material  group in nuclide          mean     std. dev.
-1         3         1   total  7.030461e-07  2.133325e-07
-0         3         2   total  0.000000e+00  0.000000e+00
+   material  group in nuclide      mean     std. dev.
+1         3         1   total  0.000001  3.988839e-07
+0         3         2   total  0.000000  0.000000e+00
 (n,a0)
    material  group in nuclide      mean  std. dev.
-1         3         1   total  0.000068   0.000011
-0         3         2   total  0.001283   0.000077
+1         3         1   total  0.000084   0.000016
+0         3         2   total  0.001278   0.000058
 (n,nc) matrix
    material  group in  group out nuclide  mean  std. dev.
 3         3         1          1   total   0.0        0.0
diff --git a/tests/regression_tests/mgxs_library_nuclides/results_true.dat b/tests/regression_tests/mgxs_library_nuclides/results_true.dat
index 7825aba3f..c23890323 100644
--- a/tests/regression_tests/mgxs_library_nuclides/results_true.dat
+++ b/tests/regression_tests/mgxs_library_nuclides/results_true.dat
@@ -1 +1 @@
-93ad567f1b36461a68d4ead0ff5cfa4a2003b05cf5241a232544545001a94a33fc7b99f21af277ea3a24861d38aac3a9ac36c8b1706c4b3b33caec589df2c90c
\ No newline at end of file
+c4a4cb4e00f09ef62222a0e66df817af87bf324a2ac0e57a82ff1337535a223c7077d660a60d0ce9ac7113c47d37b3296347f3ba212558ff09ef5fc586e1dd28
\ No newline at end of file
diff --git a/tests/regression_tests/microxs/test_reference.csv b/tests/regression_tests/microxs/test_reference.csv
index 00f4783e6..1804551eb 100644
--- a/tests/regression_tests/microxs/test_reference.csv
+++ b/tests/regression_tests/microxs/test_reference.csv
@@ -1,13 +1,13 @@
 nuclide,"(n,gamma)",fission
-U234,22.231989815372202,0.49620744658634824
-U235,10.479008966651142,48.417873345870724
-U238,0.8673334103130558,0.1046788058833928
-U236,8.651710443768728,0.3194839239606777
-O16,7.497850998328519e-05,0.0
-O17,0.0004079227795364271,0.0
-I135,6.842395320017149,0.0
-Xe135,227463.8640052883,0.0
-Xe136,0.023178960335476638,0.0
-Cs135,2.1721665579658485,0.0
-Gd157,12786.099387172428,0.0
-Gd156,3.4006085435237843,0.0
+U234,20.548033586079335,0.4951725071956495
+U235,10.593745111766133,48.86980740247932
+U238,0.8607296097035912,0.10623994948321437
+U236,8.697176401063281,0.32148140073986475
+O16,7.503456435273737e-05,0.0
+O17,0.0004107265933745623,0.0
+I135,6.896228129273278,0.0
+Xe135,229100.9245987756,0.0
+Xe136,0.02336047367105298,0.0
+Cs135,2.055822714073886,0.0
+Gd157,12927.465334134899,0.0
+Gd156,3.500756543915523,0.0
diff --git a/tests/regression_tests/multipole/results_true.dat b/tests/regression_tests/multipole/results_true.dat
index 955f88a4a..8e82655ce 100644
--- a/tests/regression_tests/multipole/results_true.dat
+++ b/tests/regression_tests/multipole/results_true.dat
@@ -1,36 +1,36 @@
 k-combined:
-1.377711E+00 1.297376E-02
+1.354889E+00 8.437211E-03
 tally 1:
-3.861112E+00
-2.991150E+00
-2.787756E+00
-1.559383E+00
-5.422517E-01
-5.899488E-02
-4.575965E-01
-4.201819E-02
+3.869969E+00
+3.000421E+00
+2.800393E+00
+1.570851E+00
+5.399091E-01
+5.842233E-02
+4.577147E-01
+4.203362E-02
 0.000000E+00
 0.000000E+00
-2.250654E+01
-1.013609E+02
+2.286465E+01
+1.045869E+02
 0.000000E+00
 0.000000E+00
-6.830189E-04
-9.338756E-08
-2.248753E+01
-1.011895E+02
-1.147267E-05
-4.624497E-11
-3.580777E+02
-2.567385E+04
-2.787756E+00
-1.559383E+00
-2.157976E+00
-9.322753E-01
-3.530401E+02
-2.495723E+04
-1.147267E-05
-4.624497E-11
+6.971793E-04
+9.724819E-08
+2.283955E+01
+1.043576E+02
+4.659256E-06
+2.170865E-11
+3.663230E+02
+2.685383E+04
+2.800393E+00
+1.570851E+00
+2.204999E+00
+9.728014E-01
+3.612213E+02
+2.611152E+04
+4.659256E-06
+2.170865E-11
 Cell
 	ID             =	11
 	Name           =	
diff --git a/tests/regression_tests/output/results_true.dat b/tests/regression_tests/output/results_true.dat
index fe46748c8..bbf03de94 100644
--- a/tests/regression_tests/output/results_true.dat
+++ b/tests/regression_tests/output/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-2.987050E-01 1.827430E-03
+3.070134E-01 3.900396E-03
diff --git a/tests/regression_tests/periodic/results_true.dat b/tests/regression_tests/periodic/results_true.dat
index 6d58baccb..2189597e1 100644
--- a/tests/regression_tests/periodic/results_true.dat
+++ b/tests/regression_tests/periodic/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-1.654583E+00 1.501286E-02
+1.623300E+00 2.572983E-02
diff --git a/tests/regression_tests/periodic_6fold/results_true.dat b/tests/regression_tests/periodic_6fold/results_true.dat
index def4d0c7a..e60182809 100644
--- a/tests/regression_tests/periodic_6fold/results_true.dat
+++ b/tests/regression_tests/periodic_6fold/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-1.845885E+00 1.472487E-02
+1.858730E+00 6.824588E-03
diff --git a/tests/regression_tests/periodic_hex/results_true.dat b/tests/regression_tests/periodic_hex/results_true.dat
index 16512ec23..584089a15 100644
--- a/tests/regression_tests/periodic_hex/results_true.dat
+++ b/tests/regression_tests/periodic_hex/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-2.271604E+00 1.159996E-02
+2.284468E+00 2.781588E-02
diff --git a/tests/regression_tests/photon_production_fission/results_true.dat b/tests/regression_tests/photon_production_fission/results_true.dat
index ac91b63a1..1aa08b147 100644
--- a/tests/regression_tests/photon_production_fission/results_true.dat
+++ b/tests/regression_tests/photon_production_fission/results_true.dat
@@ -1,12 +1,12 @@
 k-combined:
-2.294874E+00 2.454640E-02
+2.272421E+00 4.418825E-02
 tally 1:
-2.691351E+00
-2.415076E+00
+2.665301E+00
+2.369839E+00
 0.000000E+00
 0.000000E+00
-2.691351E+00
-2.415076E+00
+2.665301E+00
+2.369839E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -18,52 +18,52 @@ tally 1:
 0.000000E+00
 0.000000E+00
 tally 2:
-2.654218E+00
-2.348806E+00
-4.260252E+08
-6.051306E+16
+2.637532E+00
+2.320051E+00
+4.231377E+08
+5.971498E+16
 0.000000E+00
 0.000000E+00
-2.654218E+00
-2.348806E+00
-4.260252E+08
-6.051306E+16
+2.637532E+00
+2.320051E+00
+4.231377E+08
+5.971498E+16
 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-2.507232E+06
-2.096890E+12
+2.448745E+06
+2.005297E+12
 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-2.507232E+06
-2.096890E+12
+2.448745E+06
+2.005297E+12
 0.000000E+00
 0.000000E+00
 tally 3:
-2.656221E+00
-2.351840E+00
-4.260252E+08
-6.051306E+16
+2.660000E+00
+2.358558E+00
+4.231377E+08
+5.971498E+16
 0.000000E+00
 0.000000E+00
-2.656221E+00
-2.351840E+00
-4.260252E+08
-6.051306E+16
+2.660000E+00
+2.358558E+00
+4.231377E+08
+5.971498E+16
 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-2.507232E+06
-2.096890E+12
+2.448745E+06
+2.005297E+12
 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-2.507232E+06
-2.096890E+12
+2.448745E+06
+2.005297E+12
 0.000000E+00
 0.000000E+00
diff --git a/tests/regression_tests/ptables_off/results_true.dat b/tests/regression_tests/ptables_off/results_true.dat
index 7c1d187bb..1652088ce 100644
--- a/tests/regression_tests/ptables_off/results_true.dat
+++ b/tests/regression_tests/ptables_off/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-3.042885E-01 1.073889E-02
+2.978318E-01 1.560055E-03
diff --git a/tests/regression_tests/quadric_surfaces/results_true.dat b/tests/regression_tests/quadric_surfaces/results_true.dat
index 8dc59df02..382c4241e 100644
--- a/tests/regression_tests/quadric_surfaces/results_true.dat
+++ b/tests/regression_tests/quadric_surfaces/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-1.213534E+00 1.386061E-02
+1.193830E+00 1.824184E-02
diff --git a/tests/regression_tests/reflective_plane/results_true.dat b/tests/regression_tests/reflective_plane/results_true.dat
index a55747acc..a1acfaad7 100644
--- a/tests/regression_tests/reflective_plane/results_true.dat
+++ b/tests/regression_tests/reflective_plane/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-2.275423E+00 4.746681E-03
+2.276857E+00 8.776678E-03
diff --git a/tests/regression_tests/resonance_scattering/results_true.dat b/tests/regression_tests/resonance_scattering/results_true.dat
index 2535885fb..8316e720e 100644
--- a/tests/regression_tests/resonance_scattering/results_true.dat
+++ b/tests/regression_tests/resonance_scattering/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-1.463226E+00 1.142843E-02
+1.462509E+00 2.205413E-02
diff --git a/tests/regression_tests/rotation/results_true.dat b/tests/regression_tests/rotation/results_true.dat
index f4a3cfccc..0fb8ba981 100644
--- a/tests/regression_tests/rotation/results_true.dat
+++ b/tests/regression_tests/rotation/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-4.132181E-01 1.130226E-02
+4.175600E-01 1.117465E-02
diff --git a/tests/regression_tests/salphabeta/results_true.dat b/tests/regression_tests/salphabeta/results_true.dat
index 1c22db3a0..d5c7f66e9 100644
--- a/tests/regression_tests/salphabeta/results_true.dat
+++ b/tests/regression_tests/salphabeta/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-8.214164E-01 2.262776E-02
+8.694866E-01 2.033328E-02
diff --git a/tests/regression_tests/score_current/results_true.dat b/tests/regression_tests/score_current/results_true.dat
index 679346695..ff939301d 100644
--- a/tests/regression_tests/score_current/results_true.dat
+++ b/tests/regression_tests/score_current/results_true.dat
@@ -1,652 +1,652 @@
 k-combined:
-7.952381E-01 3.714273E-02
+2.298294E-01 3.256961E-01
 tally 1:
 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-1.400000E-01
-4.016000E-03
-1.760000E-01
-6.368000E-03
-0.000000E+00
-0.000000E+00
-0.000000E+00
-0.000000E+00
-1.140000E-01
-2.714000E-03
-1.590000E-01
-5.517000E-03
-1.800000E-01
-6.524000E-03
-0.000000E+00
-0.000000E+00
-6.700000E-02
-9.270000E-04
-1.570000E-01
-5.131000E-03
-1.760000E-01
-6.368000E-03
-1.400000E-01
-4.016000E-03
-1.570000E-01
-5.019000E-03
-1.210000E-01
-2.997000E-03
-0.000000E+00
-0.000000E+00
-0.000000E+00
-0.000000E+00
-1.780000E-01
-6.838000E-03
-2.440000E-01
-1.203200E-02
-2.120000E-01
-9.028000E-03
-0.000000E+00
-0.000000E+00
-8.800000E-02
-1.644000E-03
-2.360000E-01
-1.139000E-02
-1.210000E-01
-2.997000E-03
-1.570000E-01
-5.019000E-03
-0.000000E+00
-0.000000E+00
-0.000000E+00
-0.000000E+00
-0.000000E+00
-0.000000E+00
-0.000000E+00
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diff --git a/tests/regression_tests/seed/results_true.dat b/tests/regression_tests/seed/results_true.dat
index 1f70e1513..bcd711825 100644
--- a/tests/regression_tests/seed/results_true.dat
+++ b/tests/regression_tests/seed/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-2.961599E-01 2.921488E-03
+3.069730E-01 2.632099E-03
diff --git a/tests/regression_tests/source/results_true.dat b/tests/regression_tests/source/results_true.dat
index f0d69afb5..94d9ced15 100644
--- a/tests/regression_tests/source/results_true.dat
+++ b/tests/regression_tests/source/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-3.073726E-01 2.535074E-03
+3.054101E-01 1.167865E-03
diff --git a/tests/regression_tests/source_file/results_true.dat b/tests/regression_tests/source_file/results_true.dat
index 0d8600fed..264e3d580 100644
--- a/tests/regression_tests/source_file/results_true.dat
+++ b/tests/regression_tests/source_file/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-3.009416E-01 3.229998E-03
+2.983135E-01 5.116978E-03
diff --git a/tests/regression_tests/source_mcpl_file/results_true.dat b/tests/regression_tests/source_mcpl_file/results_true.dat
index 0a98e9d8c..264e3d580 100644
--- a/tests/regression_tests/source_mcpl_file/results_true.dat
+++ b/tests/regression_tests/source_mcpl_file/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-3.009416E-01 3.229999E-03
+2.983135E-01 5.116978E-03
diff --git a/tests/regression_tests/sourcepoint_batch/results_true.dat b/tests/regression_tests/sourcepoint_batch/results_true.dat
index 4cd4e623d..2770f25ed 100644
--- a/tests/regression_tests/sourcepoint_batch/results_true.dat
+++ b/tests/regression_tests/sourcepoint_batch/results_true.dat
@@ -1,3 +1,3 @@
 k-combined:
-3.003690E-01 3.923324E-03
--5.424825E+00 -4.990262E+00 -6.395029E+00
+3.074376E-01 3.049465E-03
+3.667754E+00 -7.701697E+00 2.213664E+00
diff --git a/tests/regression_tests/sourcepoint_latest/results_true.dat b/tests/regression_tests/sourcepoint_latest/results_true.dat
index fe46748c8..bbf03de94 100644
--- a/tests/regression_tests/sourcepoint_latest/results_true.dat
+++ b/tests/regression_tests/sourcepoint_latest/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-2.987050E-01 1.827430E-03
+3.070134E-01 3.900396E-03
diff --git a/tests/regression_tests/sourcepoint_restart/results_true.dat b/tests/regression_tests/sourcepoint_restart/results_true.dat
index 965dc45b1..b6d85872d 100644
--- a/tests/regression_tests/sourcepoint_restart/results_true.dat
+++ b/tests/regression_tests/sourcepoint_restart/results_true.dat
@@ -1,14 +1,270 @@
 k-combined:
-2.987050E-01 1.827430E-03
+3.070134E-01 3.900396E-03
 tally 1:
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 0.000000E+00
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@@ -18,77 +274,61 @@ tally 1:
 0.000000E+00
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@@ -97,30 +337,62 @@ tally 1:
 0.000000E+00
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@@ -129,10 +401,46 @@ tally 1:
 0.000000E+00
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@@ -141,14 +449,26 @@ tally 1:
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@@ -162,73 +482,249 @@ tally 1:
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 0.000000E+00
 0.000000E+00
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@@ -962,11 +962,11 @@ tally 1:
 0.000000E+00
 0.000000E+00
 tally 2:
-5.649702E-01
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diff --git a/tests/regression_tests/statepoint_batch/results_true.dat b/tests/regression_tests/statepoint_batch/results_true.dat
index cde417d0e..f5c855d77 100644
--- a/tests/regression_tests/statepoint_batch/results_true.dat
+++ b/tests/regression_tests/statepoint_batch/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-2.985923E-01 2.864193E-03
+3.048864E-01 1.689118E-03
diff --git a/tests/regression_tests/statepoint_restart/results_true.dat b/tests/regression_tests/statepoint_restart/results_true.dat
index 0809b902e..aebc971f4 100644
--- a/tests/regression_tests/statepoint_restart/results_true.dat
+++ b/tests/regression_tests/statepoint_restart/results_true.dat
@@ -1,18 +1,402 @@
 k-combined:
-2.987050E-01 1.827430E-03
+3.070134E-01 3.900396E-03
 tally 1:
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@@ -26,59 +410,59 @@ tally 1:
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@@ -89,50 +473,26 @@ tally 1:
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@@ -145,42 +505,90 @@ tally 1:
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@@ -193,12 +601,66 @@ tally 1:
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@@ -211,18 +673,36 @@ tally 1:
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@@ -1370,17 +1274,41 @@ tally 1:
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@@ -1393,28 +1321,100 @@ tally 1:
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@@ -1442,11 +1442,11 @@ tally 1:
 0.000000E+00
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 tally 2:
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diff --git a/tests/regression_tests/statepoint_sourcesep/results_true.dat b/tests/regression_tests/statepoint_sourcesep/results_true.dat
index fe46748c8..bbf03de94 100644
--- a/tests/regression_tests/statepoint_sourcesep/results_true.dat
+++ b/tests/regression_tests/statepoint_sourcesep/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-2.987050E-01 1.827430E-03
+3.070134E-01 3.900396E-03
diff --git a/tests/regression_tests/surface_source/surface_source_true.h5 b/tests/regression_tests/surface_source/surface_source_true.h5
index eb65846d1cf33d6a2c49af364275d7ec0c053637..c1b6402118e353f0e55f01ab33d0f034b3d777bc 100644
GIT binary patch
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diff --git a/tests/regression_tests/surface_tally/results_true.dat b/tests/regression_tests/surface_tally/results_true.dat
index cfd70a013..8b27fa192 100644
--- a/tests/regression_tests/surface_tally/results_true.dat
+++ b/tests/regression_tests/surface_tally/results_true.dat
@@ -1,52 +1,52 @@
 mean,std. dev.
-1.9600000e-02,1.5719768e-03
-7.3700000e-02,1.9382122e-03
-1.7130000e-01,4.0907755e-03
-6.3490000e-01,8.8197380e-03
-2.5000000e-03,5.2174919e-04
-6.0000000e-03,1.6799471e-03
-1.0600000e-02,1.8749815e-03
-4.0200000e-02,1.6852300e-03
-1.9600000e-02,1.5719768e-03
-7.3700000e-02,1.9382122e-03
-1.7130000e-01,4.0907755e-03
-6.3490000e-01,8.8197380e-03
-2.5000000e-03,5.2174919e-04
-6.0000000e-03,1.6799471e-03
-1.0600000e-02,1.8749815e-03
-4.0200000e-02,1.6852300e-03
-4.7000000e-03,9.1954095e-04
-4.5400000e-02,2.4413111e-03
-4.2800000e-02,2.2150997e-03
-4.2460000e-01,7.3017502e-03
+2.1200000e-02,1.8366636e-03
+7.4900000e-02,2.2083176e-03
+1.6220000e-01,2.8079253e-03
+6.4010000e-01,8.6838931e-03
+2.1000000e-03,3.7859389e-04
+5.6000000e-03,6.8637534e-04
+1.1700000e-02,1.4456832e-03
+4.1700000e-02,2.7041121e-03
+2.1200000e-02,1.8366636e-03
+7.4900000e-02,2.2083176e-03
+1.6220000e-01,2.8079253e-03
+6.4010000e-01,8.6838931e-03
+2.1000000e-03,3.7859389e-04
+5.6000000e-03,6.8637534e-04
+1.1700000e-02,1.4456832e-03
+4.1700000e-02,2.7041121e-03
+5.2000000e-03,5.9254629e-04
+3.9200000e-02,2.5508169e-03
+4.0200000e-02,1.9310331e-03
+4.1360000e-01,8.0072190e-03
 0.0000000e+00,0.0000000e+00
-1.6000000e-03,2.6666667e-04
-4.0000000e-04,1.6329932e-04
-1.5700000e-02,1.1551816e-03
--4.7000000e-03,9.1954095e-04
--4.5400000e-02,2.4413111e-03
--4.2800000e-02,2.2150997e-03
--4.2460000e-01,7.3017502e-03
+1.9000000e-03,3.7859389e-04
+1.0000000e-04,1.0000000e-04
+1.6400000e-02,1.2840907e-03
+-5.2000000e-03,5.9254629e-04
+-3.9200000e-02,2.5508169e-03
+-4.0200000e-02,1.9310331e-03
+-4.1360000e-01,8.0072190e-03
 0.0000000e+00,0.0000000e+00
--1.6000000e-03,2.6666667e-04
--4.0000000e-04,1.6329932e-04
--1.5700000e-02,1.1551816e-03
-1.4900000e-02,1.5235193e-03
-2.8300000e-02,2.0925795e-03
-1.2850000e-01,4.0613353e-03
-2.1030000e-01,5.4955538e-03
-2.5000000e-03,5.2174919e-04
-4.4000000e-03,1.4847372e-03
-1.0200000e-02,1.8903263e-03
-2.4500000e-02,1.7966017e-03
+-1.9000000e-03,3.7859389e-04
+-1.0000000e-04,1.0000000e-04
+-1.6400000e-02,1.2840907e-03
+1.6000000e-02,2.1602469e-03
+3.5700000e-02,2.9441090e-03
+1.2200000e-01,3.5932035e-03
+2.2650000e-01,9.2463206e-03
+2.1000000e-03,3.7859389e-04
+3.7000000e-03,8.1717671e-04
+1.1600000e-02,1.4772347e-03
+2.5300000e-02,1.9723083e-03
 0.0000000e+00,0.0000000e+00
--3.0900000e-02,2.0518285e-03
+-2.9700000e-02,2.4587711e-03
 0.0000000e+00,0.0000000e+00
--3.4370000e-01,4.5093730e-03
+-3.5090000e-01,3.7161808e-03
 0.0000000e+00,0.0000000e+00
--2.9000000e-03,8.0897741e-04
+-2.1000000e-03,4.8189441e-04
 0.0000000e+00,0.0000000e+00
--2.2200000e-02,2.0210009e-03
+-2.1400000e-02,1.7397318e-03
 0.0000000e+00,0.0000000e+00
 0.0000000e+00,0.0000000e+00
 0.0000000e+00,0.0000000e+00
diff --git a/tests/regression_tests/survival_biasing/results_true.dat b/tests/regression_tests/survival_biasing/results_true.dat
index edd968340..740272201 100644
--- a/tests/regression_tests/survival_biasing/results_true.dat
+++ b/tests/regression_tests/survival_biasing/results_true.dat
@@ -1,20 +1,20 @@
 k-combined:
-9.826269E-01 1.626276E-02
+9.879232E-01 8.097582E-03
 tally 1:
-4.209907E+01
-3.546281E+02
-1.759415E+01
-6.197412E+01
-2.165888E+00
-9.392975E-01
-1.873459E+00
-7.025989E-01
-4.850267E+00
-4.708899E+00
-3.397795E-02
-2.310621E-04
-3.628554E+08
-2.635633E+16
+4.295331E+01
+3.691096E+02
+1.802724E+01
+6.501934E+01
+2.193500E+00
+9.627609E-01
+1.893529E+00
+7.174104E-01
+4.902380E+00
+4.808570E+00
+3.418014E-02
+2.337353E-04
+3.667128E+08
+2.690758E+16
 tally 2:
-1.759415E+01
-6.197412E+01
+1.802724E+01
+6.501934E+01
diff --git a/tests/regression_tests/tallies/results_true.dat b/tests/regression_tests/tallies/results_true.dat
index 6739f5348..6a58c1725 100644
--- a/tests/regression_tests/tallies/results_true.dat
+++ b/tests/regression_tests/tallies/results_true.dat
@@ -1 +1 @@
-ad28e723270c25dc46f27f1482052e381c802cb111ea8224368d4ea3d903eeaba1a3dce541957f24ec0634ed2ada6f20f97c0270c269b9bcae4b34a1b317a165
\ No newline at end of file
+6b1d8d6f4d7a70af6c39cc76b9267a61ba9a9d0c14b75a4df6f83e72a2bfaf1533caaf936c2185f0a158443eb9da266bd5a77b7996020fd638551ea841d821e0
\ No newline at end of file
diff --git a/tests/regression_tests/tally_aggregation/results_true.dat b/tests/regression_tests/tally_aggregation/results_true.dat
index a86eff895..172adbfe1 100644
--- a/tests/regression_tests/tally_aggregation/results_true.dat
+++ b/tests/regression_tests/tally_aggregation/results_true.dat
@@ -1,97 +1,97 @@
-[[1.6100557e-05 5.2845844e-04]
- [3.1178030e-01 1.6963068e-01]
- [1.8103970e-02 7.1792000e-01]], [[1.6327747e-05 5.3562414e-04]
- [3.2299959e-01 1.7506573e-01]
- [1.8518775e-02 7.2159429e-01]], [[1.5779072e-05 5.7847880e-04]
- [3.1206099e-01 1.6937953e-01]
- [1.7615699e-02 6.9887963e-01]], [[1.6129040e-05 5.2214564e-04]
- [3.3116549e-01 1.7924984e-01]
- [1.8339236e-02 7.1809645e-01]][[2.5070599e-07 4.1541177e-05]
- [8.8868371e-03 4.3482360e-03]
- [4.2929455e-04 5.1166511e-03]], [[2.6348920e-07 4.0911978e-05]
- [9.5560259e-03 4.6948487e-03]
- [5.1500008e-04 8.2022796e-03]], [[2.8482730e-07 5.2369388e-05]
- [5.9366950e-03 2.9803949e-03]
- [3.5036278e-04 7.1193378e-03]], [[4.9529279e-07 5.2183723e-05]
- [1.1645140e-02 5.7325245e-03]
- [9.3005699e-04 9.2536054e-03]][[1.0276552e-06 8.0660598e-04]
- [1.1192721e+00 5.5462743e-01]
- [1.3911834e-06 5.0699881e-01]], [[1.9629638e-06 1.0409504e-03]
- [1.4059305e-01 9.8087142e-02]
- [2.9492646e-05 7.8705320e-01]], [[1.5107402e-05 2.2995488e-04]
- [1.3135825e-02 2.9816182e-02]
- [3.2964785e-04 1.1215217e+00]], [[4.6238395e-05 8.7195730e-05]
- [5.0054342e-03 1.0795027e-02]
- [7.2217149e-02 4.4091666e-01]][[1.6532673e-08 1.2337935e-05]
- [1.8386631e-02 9.0206165e-03]
- [2.1821704e-08 6.5857974e-03]], [[1.4398993e-07 9.3322326e-05]
- [1.7502917e-03 1.1333022e-03]
- [1.2352929e-05 1.0990819e-02]], [[2.0866393e-07 1.5849226e-06]
- [1.0531329e-04 1.2841877e-04]
- [5.5780807e-06 5.5626593e-03]], [[6.2783320e-07 1.1660991e-06]
- [6.5703644e-05 1.4478948e-04]
- [1.1987891e-03 5.8870776e-03]][[0.2726472 0.2604765]], [[0.2826295 0.2668458]], [[0.2735803 0.2601036]], [[0.2904175 0.2750069]], [[0.0346119 0.2258269]], [[0.0357798 0.2250003]], [[0.0340719 0.2185953]], [[0.0361609 0.2167588]], [[0.0033548 0.2889666]], [[0.0034114 0.2907593]], [[0.003291  0.2797162]], [[0.0034234 0.2921258]], [[0.0192865 0.1128092]], [[0.0197139 0.1145903]], [[0.0187492 0.1104225]], [[0.0195192 0.1139769]][[0.0088278 0.0052328]], [[0.0095476 0.0057391]], [[0.0058888 0.003768 ]], [[0.0115889 0.007087 ]], [[0.0010202 0.0025054]], [[0.0003997 0.00688  ]], [[0.0007498 0.0052687]], [[0.0011406 0.0063813]], [[6.0992197e-05 2.7321486e-03]], [[3.8711312e-05 2.3727208e-03]], [[5.9558150e-05 3.2498217e-03]], [[4.8541326e-05 2.7025714e-03]], [[0.00043   0.0019911]], [[0.0005155 0.001849 ]], [[0.0003513 0.0026556]], [[0.0009313 0.0044993]][[1.9753031e-04]
- [4.0779730e-01]
- [1.2512884e-01]], [[2.0324106e-04]
- [4.2264184e-01]
- [1.2663026e-01]], [[1.9762520e-04]
- [4.0915145e-01]
- [1.2433487e-01]], [[2.0923706e-04]
- [4.3430891e-01]
- [1.3090624e-01]], [[0.0002534]
- [0.0589558]
- [0.2012296]], [[0.0002515]
- [0.0604991]
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- [7.0477126e-05]
- [2.6777741e-03]], [[1.0127017e-06]
- [1.2155206e-04]
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\ No newline at end of file
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+ [2.0133571e-03]], [[5.0962865e-07]
+ [6.0338032e-05]
+ [2.2773911e-03]]
\ No newline at end of file
diff --git a/tests/regression_tests/tally_arithmetic/results_true.dat b/tests/regression_tests/tally_arithmetic/results_true.dat
index 473dd5ee7..143930dd4 100644
--- a/tests/regression_tests/tally_arithmetic/results_true.dat
+++ b/tests/regression_tests/tally_arithmetic/results_true.dat
@@ -1,49 +1,49 @@
-[2.18485e-07 1.40714e-13 1.90835e-04 1.22906e-10 2.14194e-07 1.70920e-07
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\ No newline at end of file
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\ No newline at end of file
diff --git a/tests/regression_tests/tally_assumesep/results_true.dat b/tests/regression_tests/tally_assumesep/results_true.dat
index 5728cfc04..9d7cbf9c3 100644
--- a/tests/regression_tests/tally_assumesep/results_true.dat
+++ b/tests/regression_tests/tally_assumesep/results_true.dat
@@ -1,11 +1,11 @@
 k-combined:
-6.353587E-01 1.925016E-02
+5.683578E-01 1.129170E-02
 tally 1:
-7.878503E+00
-1.242768E+01
+6.753950E+00
+9.188305E+00
 tally 2:
-2.687214E-01
-1.487262E-02
+2.278558E-01
+1.052944E-02
 tally 3:
-1.344654E+01
-3.630145E+01
+1.179091E+01
+2.795539E+01
diff --git a/tests/regression_tests/tally_nuclides/results_true.dat b/tests/regression_tests/tally_nuclides/results_true.dat
index ad385b82a..7f9641fc8 100644
--- a/tests/regression_tests/tally_nuclides/results_true.dat
+++ b/tests/regression_tests/tally_nuclides/results_true.dat
@@ -1,28 +1,28 @@
 k-combined:
-9.655280E-01 1.463557E-02
+1.132463E+00 5.721067E-02
 tally 1:
-6.932814E+00
-9.650528E+00
-1.591338E+00
-5.075076E-01
-1.541515E+00
-4.761914E-01
-5.341475E+00
-5.732892E+00
-6.932814E+00
-9.650528E+00
-1.591338E+00
-5.075076E-01
-1.541515E+00
-4.761914E-01
-5.341475E+00
-5.732892E+00
+7.310528E+00
+1.080411E+01
+1.664215E+00
+5.567756E-01
+1.609340E+00
+5.205634E-01
+5.646313E+00
+6.459724E+00
+7.310528E+00
+1.080411E+01
+1.664215E+00
+5.567756E-01
+1.609340E+00
+5.205634E-01
+5.646313E+00
+6.459724E+00
 tally 2:
-6.932814E+00
-9.650528E+00
-1.591338E+00
-5.075076E-01
-1.541515E+00
-4.761914E-01
-5.341475E+00
-5.732892E+00
+7.310528E+00
+1.080411E+01
+1.664215E+00
+5.567756E-01
+1.609340E+00
+5.205634E-01
+5.646313E+00
+6.459724E+00
diff --git a/tests/regression_tests/tally_slice_merge/results_true.dat b/tests/regression_tests/tally_slice_merge/results_true.dat
index 84b296d64..58b15fc18 100644
--- a/tests/regression_tests/tally_slice_merge/results_true.dat
+++ b/tests/regression_tests/tally_slice_merge/results_true.dat
@@ -1,45 +1,45 @@
    cell  energy low [eV]  energy high [eV] nuclide    score     mean  std. dev.
-0    21         0.00e+00          6.25e-01    U235  fission 1.77e-01   1.81e-02   cell  energy low [eV]  energy high [eV] nuclide       score     mean  std. dev.
-0    21         0.00e+00          6.25e-01    U235  nu-fission 4.32e-01   4.42e-02   cell  energy low [eV]  energy high [eV] nuclide    score     mean  std. dev.
-0    21         0.00e+00          6.25e-01    U238  fission 2.43e-07   2.40e-08   cell  energy low [eV]  energy high [eV] nuclide       score     mean  std. dev.
-0    21         0.00e+00          6.25e-01    U238  nu-fission 6.07e-07   5.97e-08   cell  energy low [eV]  energy high [eV] nuclide    score     mean  std. dev.
-0    21         6.25e-01          2.00e+07    U235  fission 3.03e-02   1.93e-03   cell  energy low [eV]  energy high [eV] nuclide       score     mean  std. dev.
-0    21         6.25e-01          2.00e+07    U235  nu-fission 7.41e-02   4.67e-03   cell  energy low [eV]  energy high [eV] nuclide    score     mean  std. dev.
-0    21         6.25e-01          2.00e+07    U238  fission 1.65e-02   1.61e-03   cell  energy low [eV]  energy high [eV] nuclide       score     mean  std. dev.
-0    21         6.25e-01          2.00e+07    U238  nu-fission 4.61e-02   4.87e-03   cell  energy low [eV]  energy high [eV] nuclide    score     mean  std. dev.
-0    27         0.00e+00          6.25e-01    U235  fission 1.31e-01   2.54e-02   cell  energy low [eV]  energy high [eV] nuclide       score     mean  std. dev.
-0    27         0.00e+00          6.25e-01    U235  nu-fission 3.18e-01   6.19e-02   cell  energy low [eV]  energy high [eV] nuclide    score     mean  std. dev.
-0    27         0.00e+00          6.25e-01    U238  fission 1.80e-07   3.46e-08   cell  energy low [eV]  energy high [eV] nuclide       score     mean  std. dev.
-0    27         0.00e+00          6.25e-01    U238  nu-fission 4.49e-07   8.62e-08   cell  energy low [eV]  energy high [eV] nuclide    score     mean  std. dev.
-0    27         6.25e-01          2.00e+07    U235  fission 2.34e-02   1.23e-03   cell  energy low [eV]  energy high [eV] nuclide       score     mean  std. dev.
-0    27         6.25e-01          2.00e+07    U235  nu-fission 5.72e-02   2.99e-03   cell  energy low [eV]  energy high [eV] nuclide    score     mean  std. dev.
-0    27         6.25e-01          2.00e+07    U238  fission 1.24e-02   9.35e-04   cell  energy low [eV]  energy high [eV] nuclide       score     mean  std. dev.
-0    27         6.25e-01          2.00e+07    U238  nu-fission 3.44e-02   2.73e-03    cell  energy low [eV]  energy high [eV] nuclide       score     mean  std. dev.
-0     21         0.00e+00          6.25e-01    U235     fission 1.77e-01   1.81e-02
-1     21         0.00e+00          6.25e-01    U235  nu-fission 4.32e-01   4.42e-02
-2     21         0.00e+00          6.25e-01    U238     fission 2.43e-07   2.40e-08
-3     21         0.00e+00          6.25e-01    U238  nu-fission 6.07e-07   5.97e-08
-4     21         6.25e-01          2.00e+07    U235     fission 3.03e-02   1.93e-03
-5     21         6.25e-01          2.00e+07    U235  nu-fission 7.41e-02   4.67e-03
-6     21         6.25e-01          2.00e+07    U238     fission 1.65e-02   1.61e-03
-7     21         6.25e-01          2.00e+07    U238  nu-fission 4.61e-02   4.87e-03
-8     27         0.00e+00          6.25e-01    U235     fission 1.31e-01   2.54e-02
-9     27         0.00e+00          6.25e-01    U235  nu-fission 3.18e-01   6.19e-02
-10    27         0.00e+00          6.25e-01    U238     fission 1.80e-07   3.46e-08
-11    27         0.00e+00          6.25e-01    U238  nu-fission 4.49e-07   8.62e-08
-12    27         6.25e-01          2.00e+07    U235     fission 2.34e-02   1.23e-03
-13    27         6.25e-01          2.00e+07    U235  nu-fission 5.72e-02   2.99e-03
-14    27         6.25e-01          2.00e+07    U238     fission 1.24e-02   9.35e-04
-15    27         6.25e-01          2.00e+07    U238  nu-fission 3.44e-02   2.73e-03
+0    21         0.00e+00          6.25e-01    U235  fission 1.75e-01   1.20e-02   cell  energy low [eV]  energy high [eV] nuclide       score     mean  std. dev.
+0    21         0.00e+00          6.25e-01    U235  nu-fission 4.26e-01   2.92e-02   cell  energy low [eV]  energy high [eV] nuclide    score     mean  std. dev.
+0    21         0.00e+00          6.25e-01    U238  fission 2.41e-07   1.61e-08   cell  energy low [eV]  energy high [eV] nuclide       score     mean  std. dev.
+0    21         0.00e+00          6.25e-01    U238  nu-fission 6.00e-07   4.01e-08   cell  energy low [eV]  energy high [eV] nuclide    score     mean  std. dev.
+0    21         6.25e-01          2.00e+07    U235  fission 2.89e-02   2.07e-03   cell  energy low [eV]  energy high [eV] nuclide       score     mean  std. dev.
+0    21         6.25e-01          2.00e+07    U235  nu-fission 7.07e-02   5.06e-03   cell  energy low [eV]  energy high [eV] nuclide    score     mean  std. dev.
+0    21         6.25e-01          2.00e+07    U238  fission 1.41e-02   5.76e-04   cell  energy low [eV]  energy high [eV] nuclide       score     mean  std. dev.
+0    21         6.25e-01          2.00e+07    U238  nu-fission 3.95e-02   1.90e-03   cell  energy low [eV]  energy high [eV] nuclide    score     mean  std. dev.
+0    27         0.00e+00          6.25e-01    U235  fission 1.51e-01   1.17e-02   cell  energy low [eV]  energy high [eV] nuclide       score     mean  std. dev.
+0    27         0.00e+00          6.25e-01    U235  nu-fission 3.69e-01   2.86e-02   cell  energy low [eV]  energy high [eV] nuclide    score     mean  std. dev.
+0    27         0.00e+00          6.25e-01    U238  fission 2.07e-07   1.47e-08   cell  energy low [eV]  energy high [eV] nuclide       score     mean  std. dev.
+0    27         0.00e+00          6.25e-01    U238  nu-fission 5.17e-07   3.66e-08   cell  energy low [eV]  energy high [eV] nuclide    score     mean  std. dev.
+0    27         6.25e-01          2.00e+07    U235  fission 2.57e-02   2.43e-03   cell  energy low [eV]  energy high [eV] nuclide       score     mean  std. dev.
+0    27         6.25e-01          2.00e+07    U235  nu-fission 6.30e-02   5.92e-03   cell  energy low [eV]  energy high [eV] nuclide    score     mean  std. dev.
+0    27         6.25e-01          2.00e+07    U238  fission 1.47e-02   1.41e-03   cell  energy low [eV]  energy high [eV] nuclide       score     mean  std. dev.
+0    27         6.25e-01          2.00e+07    U238  nu-fission 4.12e-02   4.02e-03    cell  energy low [eV]  energy high [eV] nuclide       score     mean  std. dev.
+0     21         0.00e+00          6.25e-01    U235     fission 1.75e-01   1.20e-02
+1     21         0.00e+00          6.25e-01    U235  nu-fission 4.26e-01   2.92e-02
+2     21         0.00e+00          6.25e-01    U238     fission 2.41e-07   1.61e-08
+3     21         0.00e+00          6.25e-01    U238  nu-fission 6.00e-07   4.01e-08
+4     21         6.25e-01          2.00e+07    U235     fission 2.89e-02   2.07e-03
+5     21         6.25e-01          2.00e+07    U235  nu-fission 7.07e-02   5.06e-03
+6     21         6.25e-01          2.00e+07    U238     fission 1.41e-02   5.76e-04
+7     21         6.25e-01          2.00e+07    U238  nu-fission 3.95e-02   1.90e-03
+8     27         0.00e+00          6.25e-01    U235     fission 1.51e-01   1.17e-02
+9     27         0.00e+00          6.25e-01    U235  nu-fission 3.69e-01   2.86e-02
+10    27         0.00e+00          6.25e-01    U238     fission 2.07e-07   1.47e-08
+11    27         0.00e+00          6.25e-01    U238  nu-fission 5.17e-07   3.66e-08
+12    27         6.25e-01          2.00e+07    U235     fission 2.57e-02   2.43e-03
+13    27         6.25e-01          2.00e+07    U235  nu-fission 6.30e-02   5.92e-03
+14    27         6.25e-01          2.00e+07    U238     fission 1.47e-02   1.41e-03
+15    27         6.25e-01          2.00e+07    U238  nu-fission 4.12e-02   4.02e-03
          sum(distribcell)  energy low [eV]  energy high [eV] nuclide       score     mean  std. dev.
 0   (0, 100, 2000, 30000)         0.00e+00          6.25e-01    U235     fission 0.00e+00   0.00e+00
 1   (0, 100, 2000, 30000)         0.00e+00          6.25e-01    U235  nu-fission 0.00e+00   0.00e+00
 2   (0, 100, 2000, 30000)         0.00e+00          6.25e-01    U238     fission 0.00e+00   0.00e+00
 3   (0, 100, 2000, 30000)         0.00e+00          6.25e-01    U238  nu-fission 0.00e+00   0.00e+00
-4   (0, 100, 2000, 30000)         6.25e-01          2.00e+07    U235     fission 0.00e+00   0.00e+00
-5   (0, 100, 2000, 30000)         6.25e-01          2.00e+07    U235  nu-fission 0.00e+00   0.00e+00
-6   (0, 100, 2000, 30000)         6.25e-01          2.00e+07    U238     fission 0.00e+00   0.00e+00
-7   (0, 100, 2000, 30000)         6.25e-01          2.00e+07    U238  nu-fission 0.00e+00   0.00e+00
+4   (0, 100, 2000, 30000)         6.25e-01          2.00e+07    U235     fission 9.53e-07   9.53e-07
+5   (0, 100, 2000, 30000)         6.25e-01          2.00e+07    U235  nu-fission 2.37e-06   2.37e-06
+6   (0, 100, 2000, 30000)         6.25e-01          2.00e+07    U238     fission 1.25e-08   1.25e-08
+7   (0, 100, 2000, 30000)         6.25e-01          2.00e+07    U238  nu-fission 3.15e-08   3.15e-08
 8      (500, 5000, 50000)         0.00e+00          6.25e-01    U235     fission 0.00e+00   0.00e+00
 9      (500, 5000, 50000)         0.00e+00          6.25e-01    U235  nu-fission 0.00e+00   0.00e+00
 10     (500, 5000, 50000)         0.00e+00          6.25e-01    U238     fission 0.00e+00   0.00e+00
@@ -49,19 +49,19 @@
 14     (500, 5000, 50000)         6.25e-01          2.00e+07    U238     fission 0.00e+00   0.00e+00
 15     (500, 5000, 50000)         6.25e-01          2.00e+07    U238  nu-fission 0.00e+00   0.00e+00
            sum(mesh)  energy low [eV]  energy high [eV] nuclide       score     mean  std. dev.
-0   ((1, 1), (1, 2))         0.00e+00          6.25e-01    U235     fission 2.75e-02   4.32e-03
-1   ((1, 1), (1, 2))         0.00e+00          6.25e-01    U235  nu-fission 6.71e-02   1.05e-02
-2   ((1, 1), (1, 2))         0.00e+00          6.25e-01    U238     fission 3.78e-08   5.83e-09
-3   ((1, 1), (1, 2))         0.00e+00          6.25e-01    U238  nu-fission 9.42e-08   1.45e-08
-4   ((1, 1), (1, 2))         6.25e-01          2.00e+07    U235     fission 3.96e-03   7.84e-04
-5   ((1, 1), (1, 2))         6.25e-01          2.00e+07    U235  nu-fission 9.71e-03   1.91e-03
-6   ((1, 1), (1, 2))         6.25e-01          2.00e+07    U238     fission 3.92e-03   8.53e-04
-7   ((1, 1), (1, 2))         6.25e-01          2.00e+07    U238  nu-fission 1.08e-02   2.25e-03
-8   ((2, 1), (2, 2))         0.00e+00          6.25e-01    U235     fission 5.42e-02   2.50e-02
-9   ((2, 1), (2, 2))         0.00e+00          6.25e-01    U235  nu-fission 1.32e-01   6.10e-02
-10  ((2, 1), (2, 2))         0.00e+00          6.25e-01    U238     fission 7.47e-08   3.42e-08
-11  ((2, 1), (2, 2))         0.00e+00          6.25e-01    U238  nu-fission 1.86e-07   8.53e-08
-12  ((2, 1), (2, 2))         6.25e-01          2.00e+07    U235     fission 6.58e-03   2.03e-03
-13  ((2, 1), (2, 2))         6.25e-01          2.00e+07    U235  nu-fission 1.61e-02   4.95e-03
-14  ((2, 1), (2, 2))         6.25e-01          2.00e+07    U238     fission 3.74e-03   1.12e-03
-15  ((2, 1), (2, 2))         6.25e-01          2.00e+07    U238  nu-fission 1.05e-02   3.20e-03
+0   ((1, 1), (1, 2))         0.00e+00          6.25e-01    U235     fission 6.73e-03   3.04e-03
+1   ((1, 1), (1, 2))         0.00e+00          6.25e-01    U235  nu-fission 1.64e-02   7.40e-03
+2   ((1, 1), (1, 2))         0.00e+00          6.25e-01    U238     fission 8.80e-09   3.84e-09
+3   ((1, 1), (1, 2))         0.00e+00          6.25e-01    U238  nu-fission 2.19e-08   9.56e-09
+4   ((1, 1), (1, 2))         6.25e-01          2.00e+07    U235     fission 9.89e-04   3.53e-04
+5   ((1, 1), (1, 2))         6.25e-01          2.00e+07    U235  nu-fission 2.42e-03   8.60e-04
+6   ((1, 1), (1, 2))         6.25e-01          2.00e+07    U238     fission 5.01e-04   2.13e-04
+7   ((1, 1), (1, 2))         6.25e-01          2.00e+07    U238  nu-fission 1.36e-03   5.86e-04
+8   ((2, 1), (2, 2))         0.00e+00          6.25e-01    U235     fission 1.63e-02   4.21e-03
+9   ((2, 1), (2, 2))         0.00e+00          6.25e-01    U235  nu-fission 3.98e-02   1.02e-02
+10  ((2, 1), (2, 2))         0.00e+00          6.25e-01    U238     fission 2.28e-08   5.90e-09
+11  ((2, 1), (2, 2))         0.00e+00          6.25e-01    U238  nu-fission 5.67e-08   1.47e-08
+12  ((2, 1), (2, 2))         6.25e-01          2.00e+07    U235     fission 1.79e-03   4.31e-04
+13  ((2, 1), (2, 2))         6.25e-01          2.00e+07    U235  nu-fission 4.37e-03   1.05e-03
+14  ((2, 1), (2, 2))         6.25e-01          2.00e+07    U238     fission 7.51e-04   2.51e-04
+15  ((2, 1), (2, 2))         6.25e-01          2.00e+07    U238  nu-fission 2.02e-03   6.71e-04
diff --git a/tests/regression_tests/torus/results_true.dat b/tests/regression_tests/torus/results_true.dat
index 42444ad09..42fb209cc 100644
--- a/tests/regression_tests/torus/results_true.dat
+++ b/tests/regression_tests/torus/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-7.628424E-01 2.557300E-02
+7.667201E-01 1.136882E-02
diff --git a/tests/regression_tests/trace/results_true.dat b/tests/regression_tests/trace/results_true.dat
index fe46748c8..bbf03de94 100644
--- a/tests/regression_tests/trace/results_true.dat
+++ b/tests/regression_tests/trace/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-2.987050E-01 1.827430E-03
+3.070134E-01 3.900396E-03
diff --git a/tests/regression_tests/track_output/results_true.dat b/tests/regression_tests/track_output/results_true.dat
index 756226d10..37f4a0f98 100644
--- a/tests/regression_tests/track_output/results_true.dat
+++ b/tests/regression_tests/track_output/results_true.dat
@@ -143,124 +143,76 @@ ParticleType.NEUTRON [((-9.469716e-01, -2.580266e-01, 1.414357e-01), (1.438873e-
  ((-3.920090e+00, -9.211794e-01, 2.908406e+00), (9.094673e-01, -3.659267e-01, -1.974002e-01), 9.547085e+00, 1.260840e-07, 1.000000e+00, 23, 2387, 1)
  ((-3.729948e+00, -9.976834e-01, 2.867135e+00), (-2.916959e-01, -6.494657e-01, -7.022164e-01), 8.590591e+00, 1.750036e-07, 1.000000e+00, 23, 2387, 1)
  ((-3.744933e+00, -1.031047e+00, 2.831062e+00), (-2.916959e-01, -6.494657e-01, -7.022164e-01), 8.590591e+00, 1.876753e-07, 0.000000e+00, 23, 2387, 1)]
-ParticleType.NEUTRON [((6.474155e+00, -5.192870e+00, 5.413003e+00), (-3.042035e-02, -9.914979e-01, 1.265170e-01), 2.052226e+06, 4.450859e-05, 1.000000e+00, 21, 2367, 2)
- ((6.467293e+00, -5.416535e+00, 5.441544e+00), (-3.042035e-02, -9.914979e-01, 1.265170e-01), 2.052226e+06, 4.450870e-05, 1.000000e+00, 22, 2367, 3)
- ((6.464574e+00, -5.505149e+00, 5.452851e+00), (-3.042035e-02, -9.914979e-01, 1.265170e-01), 2.052226e+06, 4.450874e-05, 1.000000e+00, 23, 2367, 1)
- ((6.461877e+00, -5.593034e+00, 5.464065e+00), (6.364108e-01, -7.713322e-01, 5.284745e-03), 1.141417e+06, 4.450879e-05, 1.000000e+00, 23, 2367, 1)
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+ ((-3.625236e+00, -7.552741e+00, -1.449021e+00), (-1.976867e-01, 2.826475e-01, 9.386322e-01), 2.145548e-02, 5.009730e-05, 1.000000e+00, 11, 1750, 1)
+ ((-3.636290e+00, -7.536936e+00, -1.396537e+00), (1.266676e-01, 2.265353e-01, -9.657314e-01), 1.815564e-02, 5.037329e-05, 1.000000e+00, 11, 1750, 1)
+ ((-3.621792e+00, -7.511008e+00, -1.507069e+00), (-4.275550e-01, 8.441443e-01, 3.234457e-01), 1.848049e-02, 5.098741e-05, 1.000000e+00, 11, 1750, 1)
+ ((-3.697811e+00, -7.360920e+00, -1.449560e+00), (-4.275550e-01, 8.441443e-01, 3.234457e-01), 1.848049e-02, 5.193299e-05, 1.000000e+00, 23, 2347, 1)
+ ((-3.703436e+00, -7.349814e+00, -1.445305e+00), (-7.832167e-01, 5.713670e-01, 2.451762e-01), 1.861705e-02, 5.200296e-05, 1.000000e+00, 23, 2347, 1)
+ ((-3.823243e+00, -7.262414e+00, -1.407801e+00), (-9.917106e-01, 5.069164e-02, 1.180695e-01), 4.703334e-02, 5.281350e-05, 1.000000e+00, 23, 2347, 1)
+ ((-4.089400e+00, -7.248809e+00, -1.376113e+00), (-9.917106e-01, 5.069164e-02, 1.180695e-01), 4.703334e-02, 5.370820e-05, 1.000000e+00, 23, 2346, 1)
+ ((-4.131081e+00, -7.246679e+00, -1.371151e+00), (9.108632e-01, -4.018526e-01, 9.403556e-02), 8.057393e-02, 5.384831e-05, 1.000000e+00, 23, 2346, 1)
+ ((-4.089400e+00, -7.265067e+00, -1.366848e+00), (9.108632e-01, -4.018526e-01, 9.403556e-02), 8.057393e-02, 5.396486e-05, 1.000000e+00, 23, 2347, 1)
+ ((-3.872134e+00, -7.360920e+00, -1.344418e+00), (9.108632e-01, -4.018526e-01, 9.403556e-02), 8.057393e-02, 5.457239e-05, 1.000000e+00, 11, 1750, 1)
+ ((-3.673062e+00, -7.448746e+00, -1.323866e+00), (2.976906e-01, 8.174443e-01, -4.931178e-01), 5.538060e-02, 5.512905e-05, 1.000000e+00, 11, 1750, 1)
+ ((-3.658580e+00, -7.408978e+00, -1.347855e+00), (-5.409120e-01, 8.345378e-01, -1.046943e-01), 8.122576e-02, 5.527851e-05, 1.000000e+00, 11, 1750, 1)
+ ((-3.682981e+00, -7.371331e+00, -1.352578e+00), (-5.409120e-01, 8.345378e-01, -1.046943e-01), 8.122576e-02, 5.539294e-05, 0.000000e+00, 11, 1750, 1)]
diff --git a/tests/regression_tests/translation/results_true.dat b/tests/regression_tests/translation/results_true.dat
index 32897b8e7..f832aa296 100644
--- a/tests/regression_tests/translation/results_true.dat
+++ b/tests/regression_tests/translation/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-4.003951E-01 7.739871E-03
+4.087580E-01 4.466279E-03
diff --git a/tests/regression_tests/trigger_batch_interval/results_true.dat b/tests/regression_tests/trigger_batch_interval/results_true.dat
index 2fcfaa10a..0571d6c4f 100644
--- a/tests/regression_tests/trigger_batch_interval/results_true.dat
+++ b/tests/regression_tests/trigger_batch_interval/results_true.dat
@@ -1,28 +1,28 @@
 k-combined:
-9.764624E-01 8.747085E-03
+9.767929E-01 5.327552E-03
 tally 1:
-1.408588E+01
-1.985937E+01
-3.194837E+00
-1.021391E+00
-3.096170E+00
-9.592197E-01
-1.089104E+01
-1.187349E+01
-1.408588E+01
-1.985937E+01
-3.194837E+00
-1.021391E+00
-3.096170E+00
-9.592197E-01
-1.089104E+01
-1.187349E+01
+1.405471E+01
+1.976444E+01
+3.186139E+00
+1.015515E+00
+3.088643E+00
+9.542994E-01
+1.086857E+01
+1.182011E+01
+1.405471E+01
+1.976444E+01
+3.186139E+00
+1.015515E+00
+3.088643E+00
+9.542994E-01
+1.086857E+01
+1.182011E+01
 tally 2:
-1.408588E+01
-1.985937E+01
-3.194837E+00
-1.021391E+00
-3.096170E+00
-9.592197E-01
-1.089104E+01
-1.187349E+01
+1.405471E+01
+1.976444E+01
+3.186139E+00
+1.015515E+00
+3.088643E+00
+9.542994E-01
+1.086857E+01
+1.182011E+01
diff --git a/tests/regression_tests/trigger_no_batch_interval/results_true.dat b/tests/regression_tests/trigger_no_batch_interval/results_true.dat
index 2fcfaa10a..0571d6c4f 100644
--- a/tests/regression_tests/trigger_no_batch_interval/results_true.dat
+++ b/tests/regression_tests/trigger_no_batch_interval/results_true.dat
@@ -1,28 +1,28 @@
 k-combined:
-9.764624E-01 8.747085E-03
+9.767929E-01 5.327552E-03
 tally 1:
-1.408588E+01
-1.985937E+01
-3.194837E+00
-1.021391E+00
-3.096170E+00
-9.592197E-01
-1.089104E+01
-1.187349E+01
-1.408588E+01
-1.985937E+01
-3.194837E+00
-1.021391E+00
-3.096170E+00
-9.592197E-01
-1.089104E+01
-1.187349E+01
+1.405471E+01
+1.976444E+01
+3.186139E+00
+1.015515E+00
+3.088643E+00
+9.542994E-01
+1.086857E+01
+1.182011E+01
+1.405471E+01
+1.976444E+01
+3.186139E+00
+1.015515E+00
+3.088643E+00
+9.542994E-01
+1.086857E+01
+1.182011E+01
 tally 2:
-1.408588E+01
-1.985937E+01
-3.194837E+00
-1.021391E+00
-3.096170E+00
-9.592197E-01
-1.089104E+01
-1.187349E+01
+1.405471E+01
+1.976444E+01
+3.186139E+00
+1.015515E+00
+3.088643E+00
+9.542994E-01
+1.086857E+01
+1.182011E+01
diff --git a/tests/regression_tests/trigger_no_status/results_true.dat b/tests/regression_tests/trigger_no_status/results_true.dat
index e95f05ccb..fb6c0086a 100644
--- a/tests/regression_tests/trigger_no_status/results_true.dat
+++ b/tests/regression_tests/trigger_no_status/results_true.dat
@@ -1,28 +1,28 @@
 k-combined:
-9.688702E-01 2.263104E-02
+9.682315E-01 3.302924E-03
 tally 1:
-7.069810E+00
-1.000691E+01
-1.597648E+00
-5.109653E-01
-1.547262E+00
-4.792189E-01
-5.472161E+00
-5.995488E+00
-7.069810E+00
-1.000691E+01
-1.597648E+00
-5.109653E-01
-1.547262E+00
-4.792189E-01
-5.472161E+00
-5.995488E+00
+7.046510E+00
+9.932168E+00
+1.591675E+00
+5.067777E-01
+1.541572E+00
+4.753743E-01
+5.454835E+00
+5.951990E+00
+7.046510E+00
+9.932168E+00
+1.591675E+00
+5.067777E-01
+1.541572E+00
+4.753743E-01
+5.454835E+00
+5.951990E+00
 tally 2:
-7.069810E+00
-1.000691E+01
-1.597648E+00
-5.109653E-01
-1.547262E+00
-4.792189E-01
-5.472161E+00
-5.995488E+00
+7.046510E+00
+9.932168E+00
+1.591675E+00
+5.067777E-01
+1.541572E+00
+4.753743E-01
+5.454835E+00
+5.951990E+00
diff --git a/tests/regression_tests/trigger_statepoint_restart/results_true.dat b/tests/regression_tests/trigger_statepoint_restart/results_true.dat
index 3ab555d73..3e6619d74 100644
--- a/tests/regression_tests/trigger_statepoint_restart/results_true.dat
+++ b/tests/regression_tests/trigger_statepoint_restart/results_true.dat
@@ -1,5 +1,5 @@
 k-combined:
-2.963805E-01 2.986351E-03
+3.014717E-01 2.864764E-03
 tally 1:
-8.017826E+01
-6.436316E+02
+8.946107E+01
+7.281263E+02
diff --git a/tests/regression_tests/trigger_tallies/results_true.dat b/tests/regression_tests/trigger_tallies/results_true.dat
index 2fcfaa10a..0571d6c4f 100644
--- a/tests/regression_tests/trigger_tallies/results_true.dat
+++ b/tests/regression_tests/trigger_tallies/results_true.dat
@@ -1,28 +1,28 @@
 k-combined:
-9.764624E-01 8.747085E-03
+9.767929E-01 5.327552E-03
 tally 1:
-1.408588E+01
-1.985937E+01
-3.194837E+00
-1.021391E+00
-3.096170E+00
-9.592197E-01
-1.089104E+01
-1.187349E+01
-1.408588E+01
-1.985937E+01
-3.194837E+00
-1.021391E+00
-3.096170E+00
-9.592197E-01
-1.089104E+01
-1.187349E+01
+1.405471E+01
+1.976444E+01
+3.186139E+00
+1.015515E+00
+3.088643E+00
+9.542994E-01
+1.086857E+01
+1.182011E+01
+1.405471E+01
+1.976444E+01
+3.186139E+00
+1.015515E+00
+3.088643E+00
+9.542994E-01
+1.086857E+01
+1.182011E+01
 tally 2:
-1.408588E+01
-1.985937E+01
-3.194837E+00
-1.021391E+00
-3.096170E+00
-9.592197E-01
-1.089104E+01
-1.187349E+01
+1.405471E+01
+1.976444E+01
+3.186139E+00
+1.015515E+00
+3.088643E+00
+9.542994E-01
+1.086857E+01
+1.182011E+01
diff --git a/tests/regression_tests/triso/results_true.dat b/tests/regression_tests/triso/results_true.dat
index 279094ab3..fa1842e54 100644
--- a/tests/regression_tests/triso/results_true.dat
+++ b/tests/regression_tests/triso/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-1.406055E+00 9.581396E-02
+1.716873E+00 5.266107E-02
diff --git a/tests/regression_tests/uniform_fs/results_true.dat b/tests/regression_tests/uniform_fs/results_true.dat
index ebf06a8d3..46654b49b 100644
--- a/tests/regression_tests/uniform_fs/results_true.dat
+++ b/tests/regression_tests/uniform_fs/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-3.643255E-01 1.041799E-02
+3.685309E-01 1.861720E-03
diff --git a/tests/regression_tests/universe/results_true.dat b/tests/regression_tests/universe/results_true.dat
index fe46748c8..bbf03de94 100644
--- a/tests/regression_tests/universe/results_true.dat
+++ b/tests/regression_tests/universe/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-2.987050E-01 1.827430E-03
+3.070134E-01 3.900396E-03
diff --git a/tests/regression_tests/unstructured_mesh/results_true.dat b/tests/regression_tests/unstructured_mesh/results_true.dat
index c93eadfdb..a6cad647c 100644
--- a/tests/regression_tests/unstructured_mesh/results_true.dat
+++ b/tests/regression_tests/unstructured_mesh/results_true.dat
@@ -1,26002 +1,4002 @@
 tally 1:
-4.873713E-02
-2.881006E-04
-7.388548E-02
-6.421281E-04
-8.309847E-02
-8.079791E-04
-8.802030E-02
-8.590396E-04
-6.935977E-02
-5.711723E-04
-7.203243E-02
-5.847086E-04
-8.146742E-02
-8.422730E-04
-7.112287E-02
-5.331461E-04
-6.944025E-02
-6.220640E-04
-4.605581E-02
-3.052058E-04
-7.341445E-02
-6.319466E-04
-9.013420E-02
-1.083246E-03
-1.221831E-01
-1.761591E-03
-1.244445E-01
-1.714565E-03
-1.324446E-01
-2.041161E-03
-1.110879E-01
-1.399393E-03
-1.484356E-01
-2.412924E-03
-1.243711E-01
-1.740278E-03
-1.011503E-01
-1.167740E-03
-6.361036E-02
-4.887610E-04
-6.774704E-02
-6.414084E-04
-8.554708E-02
-9.422426E-04
-1.400424E-01
-2.238846E-03
-1.573053E-01
-2.687261E-03
-1.640744E-01
-2.864310E-03
-1.305526E-01
-1.848808E-03
-1.688498E-01
-3.171592E-03
-1.886270E-01
-3.972143E-03
-1.198794E-01
-1.610468E-03
-7.781359E-02
-8.133302E-04
-8.003923E-02
-7.488868E-04
-1.533578E-01
-2.662538E-03
-2.008234E-01
-4.137147E-03
-2.073409E-01
-4.520687E-03
-1.975748E-01
-4.160887E-03
-2.267844E-01
-5.491338E-03
-1.881489E-01
-3.776524E-03
-1.546827E-01
-2.713647E-03
-1.390602E-01
-2.088805E-03
-9.507737E-02
-1.035204E-03
-9.443902E-02
-9.783367E-04
-1.528603E-01
-2.521963E-03
-2.009995E-01
-4.414632E-03
-2.303894E-01
-5.751985E-03
-2.273601E-01
-5.379286E-03
-2.086601E-01
-4.747259E-03
-1.587188E-01
-2.863534E-03
-1.656423E-01
-2.826265E-03
-1.358638E-01
-2.045306E-03
-9.729054E-02
-1.078500E-03
-1.007280E-01
-1.185702E-03
-1.587021E-01
-2.754745E-03
-1.900019E-01
-3.874093E-03
-1.874138E-01
-4.177562E-03
-2.233840E-01
-5.748107E-03
-2.044120E-01
-4.806449E-03
-1.840480E-01
-3.872224E-03
-2.000442E-01
-4.610770E-03
-1.260142E-01
-1.809723E-03
-8.400216E-02
-8.434010E-04
-5.900093E-02
-3.850176E-04
-1.411568E-01
-2.471608E-03
-1.744586E-01
-3.239802E-03
-1.834956E-01
-3.972256E-03
-2.120173E-01
-4.965877E-03
-1.896203E-01
-3.727876E-03
-1.768841E-01
-3.517246E-03
-1.329247E-01
-1.981664E-03
-9.206320E-02
-1.061169E-03
-8.660878E-02
-8.546437E-04
-7.697726E-02
-7.926443E-04
-1.161555E-01
-1.548200E-03
-1.386967E-01
-2.047818E-03
-1.482373E-01
-2.537385E-03
-1.929067E-01
-4.259826E-03
-1.371938E-01
-1.949236E-03
-1.308202E-01
-2.027747E-03
-1.135428E-01
-1.560189E-03
-1.215934E-01
-1.672414E-03
-4.697342E-02
-3.377074E-04
-4.963529E-02
-3.397352E-04
-8.476039E-02
-8.774056E-04
-1.108440E-01
-1.411371E-03
-1.054914E-01
-1.252891E-03
-1.453762E-01
-2.358977E-03
-9.293716E-02
-9.683367E-04
-1.224872E-01
-1.612325E-03
-8.334352E-02
-7.907688E-04
-7.546069E-02
-7.025010E-04
-5.962134E-02
-6.951755E-04
-3.107769E-02
-1.723123E-04
-8.479467E-02
-9.620488E-04
-8.295926E-02
-7.769636E-04
-8.805824E-02
-8.500302E-04
-8.616294E-02
-8.661213E-04
-7.861089E-02
-6.835617E-04
-7.593919E-02
-7.633339E-04
-7.303400E-02
-6.464593E-04
-7.512486E-02
-6.007484E-04
-5.595863E-02
-4.403603E-04
-6.015811E-02
-4.297440E-04
-8.867588E-02
-8.521129E-04
-1.103542E-01
-1.469796E-03
-1.153731E-01
-1.606650E-03
-1.280835E-01
-1.791883E-03
-1.434578E-01
-2.215626E-03
-1.104920E-01
-1.470286E-03
-9.385805E-02
-1.114787E-03
-1.169307E-01
-1.600595E-03
-6.083594E-02
-4.303510E-04
-8.816849E-02
-8.791686E-04
-1.350912E-01
-2.127521E-03
-2.026574E-01
-4.456203E-03
-2.082171E-01
-4.587768E-03
-2.291899E-01
-5.560114E-03
-2.040384E-01
-4.355166E-03
-2.081784E-01
-5.172938E-03
-1.958644E-01
-4.308708E-03
-1.535028E-01
-2.754667E-03
-6.265531E-02
-4.662647E-04
-1.239416E-01
-1.608329E-03
-1.655136E-01
-3.098331E-03
-2.152185E-01
-5.116031E-03
-2.663061E-01
-7.502107E-03
-3.072160E-01
-9.873652E-03
-2.453306E-01
-6.585229E-03
-2.577460E-01
-6.982524E-03
-2.470375E-01
-6.761678E-03
-1.492132E-01
-2.465269E-03
-1.115903E-01
-1.444496E-03
-8.901752E-02
-9.826260E-04
-1.849459E-01
-3.824332E-03
-3.139129E-01
-1.040826E-02
-3.209843E-01
-1.072304E-02
-3.074029E-01
-9.805249E-03
-3.289037E-01
-1.137280E-02
-3.333668E-01
-1.140301E-02
-2.305636E-01
-5.572002E-03
-1.911618E-01
-3.897249E-03
-1.239342E-01
-1.745528E-03
-1.463546E-01
-2.897280E-03
-2.041194E-01
-4.264966E-03
-2.781505E-01
-8.222869E-03
-3.535732E-01
-1.290897E-02
-3.736359E-01
-1.424372E-02
-3.507573E-01
-1.268186E-02
-3.537878E-01
-1.317025E-02
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diff --git a/tests/regression_tests/white_plane/results_true.dat b/tests/regression_tests/white_plane/results_true.dat
index dea369205..6f1d064eb 100644
--- a/tests/regression_tests/white_plane/results_true.dat
+++ b/tests/regression_tests/white_plane/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-2.279902E+00 3.262078E-03
+2.279719E+00 5.380792E-03
diff --git a/tests/unit_tests/test_deplete_resultslist.py b/tests/unit_tests/test_deplete_resultslist.py
index e13944e03..3c6d77a75 100644
--- a/tests/unit_tests/test_deplete_resultslist.py
+++ b/tests/unit_tests/test_deplete_resultslist.py
@@ -22,7 +22,7 @@ def test_get_atoms(res):
 
     t_ref = np.array([0.0, 1296000.0, 2592000.0, 3888000.0])
     n_ref = np.array(
-        [6.67473282e+08, 3.72442707e+14, 3.61129692e+14, 4.01920099e+14])
+        [6.67473282e+08, 3.88942731e+14, 3.73091215e+14, 3.26987387e+14])
 
     np.testing.assert_allclose(t, t_ref)
     np.testing.assert_allclose(n, n_ref)
@@ -48,8 +48,8 @@ def test_get_reaction_rate(res):
     t, r = res.get_reaction_rate("1", "Xe135", "(n,gamma)")
 
     t_ref = [0.0, 1296000.0, 2592000.0, 3888000.0]
-    n_ref = [6.67473282e+08, 3.72442707e+14, 3.61129692e+14, 4.01920099e+14]
-    xs_ref = [5.10301159e-05, 3.19379638e-05, 4.50543806e-05, 4.71004301e-05]
+    n_ref = [6.67473282e+08, 3.88942731e+14, 3.73091215e+14, 3.26987387e+14]
+    xs_ref = [2.53336104e-05, 4.21747011e-05, 3.48616127e-05, 3.61775563e-05]
 
     np.testing.assert_allclose(t, t_ref)
     np.testing.assert_allclose(r, np.array(n_ref) * xs_ref)
@@ -61,8 +61,8 @@ def test_get_keff(res):
     t_min, k = res.get_keff(time_units='min')
 
     t_ref = [0.0, 1296000.0, 2592000.0, 3888000.0]
-    k_ref = [1.21409662, 1.16518654, 1.25357797, 1.22611968]
-    u_ref = [0.0278795195, 0.0233141097, 0.0167899218, 0.0246734716]
+    k_ref = [1.1596402556, 1.1914183335, 1.2292570871, 1.1797030302]
+    u_ref = [0.0270680649, 0.0219163444, 0.024268508 , 0.0221401194]
 
     np.testing.assert_allclose(t, t_ref)
     np.testing.assert_allclose(t_min * 60, t_ref)

From ba074c5a5a2053ab8ac375c96eb17fec26fb303e Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 10 Feb 2023 14:59:57 -0600
Subject: [PATCH 1569/2654] Fix several thermal scattering nuclide assignments

---
 openmc/data/njoy.py | 6 +++---
 1 file changed, 3 insertions(+), 3 deletions(-)

diff --git a/openmc/data/njoy.py b/openmc/data/njoy.py
index d8ecaae18..9c2055cc4 100644
--- a/openmc/data/njoy.py
+++ b/openmc/data/njoy.py
@@ -51,7 +51,7 @@ _THERMAL_DATA = {
     'c_Li_in_FLiBe': ThermalTuple('liflib', [3006, 3007], 1),
     'c_Mg24': ThermalTuple('mg24', [12024], 1),
     'c_N_in_UN': ThermalTuple('n-un', [7014, 7015], 1),
-    'c_O_in_Al2O3': ThermalTuple('osap00', [92238], 1),
+    'c_O_in_Al2O3': ThermalTuple('osap00', [8016, 8017, 8018], 1),
     'c_O_in_BeO': ThermalTuple('obeo', [8016, 8017, 8018], 1),
     'c_O_in_D2O': ThermalTuple('od2o', [8016, 8017, 8018], 1),
     'c_O_in_H2O_solid': ThermalTuple('oice', [8016, 8017, 8018], 1),
@@ -64,8 +64,8 @@ _THERMAL_DATA = {
     'c_Si_in_SiC': ThermalTuple('sisic', [14028, 14029, 14030], 1),
     'c_SiO2_alpha': ThermalTuple('sio2-a', [8016, 8017, 8018, 14028, 14029, 14030], 3),
     'c_SiO2_beta': ThermalTuple('sio2-b', [8016, 8017, 8018, 14028, 14029, 14030], 3),
-    'c_U_in_UN': ThermalTuple('u-un', [92238], 1),
-    'c_U_in_UO2': ThermalTuple('uuo2', [8016, 8017, 8018], 1),
+    'c_U_in_UN': ThermalTuple('u-un', [92233, 92234, 92235, 92236, 92238], 1),
+    'c_U_in_UO2': ThermalTuple('uuo2', [92233, 92234, 92235, 92236, 92238], 1),
     'c_Y_in_YH2': ThermalTuple('yyh2', [39089], 1),
     'c_Zr_in_ZrH': ThermalTuple('zrzrh', [40000, 40090, 40091, 40092, 40094, 40096], 1),
     'c_Zr_in_ZrH2': ThermalTuple('zrzrh2', [40000, 40090, 40091, 40092, 40094, 40096], 1),

From fc619f8352589f795f4eaf0d73c37fca9f753af7 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Sun, 12 Feb 2023 19:27:11 -0600
Subject: [PATCH 1570/2654] Fix documentation for MeshFilter and
 MeshSurfaceFilter

---
 openmc/filter.py | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/openmc/filter.py b/openmc/filter.py
index 4d40117fe..c52d3f135 100644
--- a/openmc/filter.py
+++ b/openmc/filter.py
@@ -762,7 +762,7 @@ class ParticleFilter(Filter):
 
 
 class MeshFilter(Filter):
-    """Bins tally event locations onto a regular, rectangular mesh.
+    """Bins tally event locations by mesh elements.
 
     Parameters
     ----------
@@ -959,7 +959,7 @@ class MeshFilter(Filter):
 
 
 class MeshSurfaceFilter(MeshFilter):
-    """Filter events by surface crossings on a regular, rectangular mesh.
+    """Filter events by surface crossings on a mesh.
 
     Parameters
     ----------

From 4783b34fe2aa6a744f38f474f44dcd58e0dddf27 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Mon, 13 Feb 2023 07:16:10 -0600
Subject: [PATCH 1571/2654] Fix several failing tests

---
 .../cpp_driver/results_true.dat               | 22 +++++++++----------
 .../particle_restart_eigval/results_true.dat  |  8 +++----
 .../particle_restart_eigval/test.py           |  2 +-
 tests/regression_tests/periodic_6fold/test.py | 18 +++++++--------
 tests/testing_harness.py                      |  7 ++++++
 5 files changed, 31 insertions(+), 26 deletions(-)

diff --git a/tests/regression_tests/cpp_driver/results_true.dat b/tests/regression_tests/cpp_driver/results_true.dat
index e44b45054..c2b0b8d6f 100644
--- a/tests/regression_tests/cpp_driver/results_true.dat
+++ b/tests/regression_tests/cpp_driver/results_true.dat
@@ -1,13 +1,13 @@
 k-combined:
-1.902610E+00 1.901530E-02
+1.933305E+00 1.300360E-02
 tally 1:
-9.580351E+01
-1.031580E+03
-2.745984E+01
-8.430494E+01
-9.422158E+01
-9.919885E+02
-2.174849E+02
-5.292948E+03
-2.174849E+02
-5.292948E+03
+9.552846E+01
+1.019358E+03
+2.887973E+01
+9.308509E+01
+9.732441E+01
+1.059022E+03
+2.217326E+02
+5.486892E+03
+2.217326E+02
+5.486892E+03
diff --git a/tests/regression_tests/particle_restart_eigval/results_true.dat b/tests/regression_tests/particle_restart_eigval/results_true.dat
index 64101d770..bd81920ca 100644
--- a/tests/regression_tests/particle_restart_eigval/results_true.dat
+++ b/tests/regression_tests/particle_restart_eigval/results_true.dat
@@ -3,14 +3,14 @@ current batch:
 current generation:
 1.000000E+00
 particle id:
-9.020000E+02
+2.540000E+02
 run mode:
 eigenvalue
 particle weight:
 1.000000E+00
 particle energy:
-3.691964E+06
+2.220048E+06
 particle xyz:
--5.047439E+01 2.730535E+01 -2.619863E+01
+-4.820850E+01 2.432936E+01 4.397668E+01
 particle uvw:
--6.278670E-01 1.419818E-01 -7.652609E-01
+-3.148565E-01 9.184190E-01 2.395245E-01
diff --git a/tests/regression_tests/particle_restart_eigval/test.py b/tests/regression_tests/particle_restart_eigval/test.py
index e526e5003..f9d22edb8 100644
--- a/tests/regression_tests/particle_restart_eigval/test.py
+++ b/tests/regression_tests/particle_restart_eigval/test.py
@@ -2,5 +2,5 @@ from tests.testing_harness import ParticleRestartTestHarness
 
 
 def test_particle_restart_eigval():
-    harness = ParticleRestartTestHarness('particle_11_902.h5')
+    harness = ParticleRestartTestHarness('particle_11_254.h5')
     harness.main()
diff --git a/tests/regression_tests/periodic_6fold/test.py b/tests/regression_tests/periodic_6fold/test.py
index 555ab24f9..69712eb5a 100644
--- a/tests/regression_tests/periodic_6fold/test.py
+++ b/tests/regression_tests/periodic_6fold/test.py
@@ -1,5 +1,6 @@
+from math import sin, cos, pi
+
 import openmc
-import numpy as np
 import pytest
 
 from tests.testing_harness import PyAPITestHarness
@@ -24,17 +25,14 @@ def model():
     # (it essentially defines a circle of half-cylinders), but it is
     # designed so that periodic and reflective BCs will give different
     # answers.
-    theta1 = (-1/6 + 1/2) * np.pi
-    theta2 = (1/6 - 1/2) * np.pi
-    plane1 = openmc.Plane(a=np.cos(theta1), b=np.sin(theta1),
-                            boundary_type='periodic')
-    plane2 = openmc.Plane(a=np.cos(theta2), b=np.sin(theta2),
-                            boundary_type='periodic')
+    theta1 = (-1/6 + 1/2) * pi
+    theta2 = (1/6 - 1/2) * pi
+    plane1 = openmc.Plane(a=cos(theta1), b=sin(theta1), boundary_type='periodic')
+    plane2 = openmc.Plane(a=cos(theta2), b=sin(theta2), boundary_type='periodic')
 
-    x_max = openmc.XPlane(x0=5., boundary_type='reflective')
+    x_max = openmc.XPlane(5., boundary_type='reflective')
 
-    z_cyl = openmc.ZCylinder(x0=3*np.cos(np.pi/6), y0=3*np.sin(np.pi/6),
-                                r=2.0)
+    z_cyl = openmc.ZCylinder(x0=3*cos(pi/6), y0=3*sin(pi/6), r=2.0)
 
     outside_cyl = openmc.Cell(1, fill=water, region=(
         +plane1 & +plane2 & -x_max & +z_cyl))
diff --git a/tests/testing_harness.py b/tests/testing_harness.py
index 9a6db2a2e..0525dd476 100644
--- a/tests/testing_harness.py
+++ b/tests/testing_harness.py
@@ -276,6 +276,13 @@ class ParticleRestartTestHarness(TestHarness):
 
         return outstr
 
+    def _cleanup(self):
+        """Delete particle restart files."""
+        super()._cleanup()
+        output = glob.glob('particle*.h5')
+        for f in output:
+            os.remove(f)
+
 
 class PyAPITestHarness(TestHarness):
     def __init__(self, statepoint_name, model=None, inputs_true=None):

From 893c4d06488f39216eb26fadd659c05322eccb2a Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Mon, 13 Feb 2023 09:00:33 -0600
Subject: [PATCH 1572/2654] Try using 10**x instead of logspace in source test

---
 tests/regression_tests/source/test.py | 13 ++++++++-----
 1 file changed, 8 insertions(+), 5 deletions(-)

diff --git a/tests/regression_tests/source/test.py b/tests/regression_tests/source/test.py
index e6a5bcf70..a1175c48f 100644
--- a/tests/regression_tests/source/test.py
+++ b/tests/regression_tests/source/test.py
@@ -39,15 +39,15 @@ class SourceTestHarness(PyAPITestHarness):
         spatial2 = openmc.stats.Box([-4., -4., -4.], [4., 4., 4.])
         spatial3 = openmc.stats.Point([1.2, -2.3, 0.781])
         spatial4 = openmc.stats.SphericalIndependent(r_dist, cos_theta_dist,
-                                                     phi_dist, 
+                                                     phi_dist,
                                                      origin=(1., 1., 0.))
-        spatial5 = openmc.stats.CylindricalIndependent(r_dist, phi_dist, 
+        spatial5 = openmc.stats.CylindricalIndependent(r_dist, phi_dist,
                                                        z_dist,
                                                        origin=(1., 1., 0.))
         spatial6 = openmc.stats.SphericalIndependent(r_dist2, cos_theta_dist,
-                                                     phi_dist, 
+                                                     phi_dist,
                                                      origin=(1., 1., 0.))
-        spatial7 = openmc.stats.CylindricalIndependent(r_dist1, phi_dist, 
+        spatial7 = openmc.stats.CylindricalIndependent(r_dist1, phi_dist,
                                                        z_dist,
                                                        origin=(1., 1., 0.))
 
@@ -57,7 +57,10 @@ class SourceTestHarness(PyAPITestHarness):
         angle2 = openmc.stats.Monodirectional(reference_uvw=[0., 1., 0.])
         angle3 = openmc.stats.Isotropic()
 
-        E = np.logspace(0, 7)
+        # Note that the definition for E is equivalent to logspace(0, 7) but we
+        # manually take powers because of last-digit differences that may cause
+        # test failures with different versions of numpy
+        E = np.array([10**x for x in np.linspace(0, 7)])
         p = np.sin(np.linspace(0., pi))
         p /= sum(np.diff(E)*p[:-1])
         energy1 = openmc.stats.Maxwell(1.2895e6)

From 75fe7f00a9668c7f86ce1ccb6943964fc2064055 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Mon, 13 Feb 2023 09:40:21 -0600
Subject: [PATCH 1573/2654] Apply code suggestions from @paulromano

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/mesh.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index b2114525f..734d04da4 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -1941,7 +1941,7 @@ class UnstructuredMesh(MeshBase):
 
 
 def read_meshes(elem):
-    """Reads all mesh nodes under a a given XML node
+    """Generate dictionary of meshes from a given XML node
 
     Parameters
     ----------

From 3d548c882feac44867a1a4b888fad168ddce79fe Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Mon, 13 Feb 2023 09:52:17 -0600
Subject: [PATCH 1574/2654] Addressing latest comments from @paulromano

---
 openmc/mesh.py     | 8 ++++----
 openmc/settings.py | 4 ++--
 2 files changed, 6 insertions(+), 6 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 734d04da4..196d7f6c0 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -1940,7 +1940,7 @@ class UnstructuredMesh(MeshBase):
         return cls(filename, library, mesh_id, '', length_multiplier)
 
 
-def read_meshes(elem):
+def _read_meshes(elem):
     """Generate dictionary of meshes from a given XML node
 
     Parameters
@@ -1950,11 +1950,11 @@ def read_meshes(elem):
 
     Returns
     -------
-    OrderedDict
-        An ordered dictionary with mesh IDs as keys and openmc.MeshBase
+    dict
+        A dictionary with mesh IDs as keys and openmc.MeshBase
         instanaces as values
     """
-    out = OrderedDict()
+    out = dict()
     for mesh_elem in elem.findall('mesh'):
         mesh = MeshBase.from_xml_element(mesh_elem)
         out[mesh.id] = mesh
diff --git a/openmc/settings.py b/openmc/settings.py
index ff35a90cf..39329a69e 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -16,7 +16,7 @@ from openmc.stats.multivariate import MeshSpatial
 from . import RegularMesh, Source, VolumeCalculation, WeightWindows
 from ._xml import clean_indentation, get_text, reorder_attributes
 from openmc.checkvalue import PathLike
-from .mesh import MeshBase, read_meshes
+from .mesh import _read_meshes
 
 
 class RunMode(Enum):
@@ -1762,5 +1762,5 @@ class Settings:
         """
         tree = ET.parse(path)
         root = tree.getroot()
-        meshes = read_meshes(root)
+        meshes = _read_meshes(root)
         return cls.from_xml_element(root, meshes)

From 68a0ec793614ec5ef30d6ec582bfba98524c133a Mon Sep 17 00:00:00 2001
From: Baptiste Mouginot <15145274+bam241@users.noreply.github.com>
Date: Tue, 14 Feb 2023 15:05:37 +0100
Subject: [PATCH 1575/2654] fix return _materiaLs_by_id

---
 openmc/model/model.py | 37 +++++++++++++++++++++++++------------
 1 file changed, 25 insertions(+), 12 deletions(-)

diff --git a/openmc/model/model.py b/openmc/model/model.py
index 2f4489084..4fb8cd9e5 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -124,10 +124,11 @@ class Model:
     @lru_cache(maxsize=None)
     def _materials_by_id(self):
         """Dictionary mapping material ID --> material"""
-        if self.materials is None:
-            mats = self.geometry.get_all_materials().values()
-        else:
+        if self.materials:
             mats = self.materials
+        else:
+            mats = self.geometry.get_all_materials().values()
+
         return {mat.id: mat for mat in mats}
 
     @property
@@ -236,7 +237,8 @@ class Model:
         materials = openmc.Materials.from_xml(materials)
         geometry = openmc.Geometry.from_xml(geometry, materials)
         settings = openmc.Settings.from_xml(settings)
-        tallies = openmc.Tallies.from_xml(tallies) if Path(tallies).exists() else None
+        tallies = openmc.Tallies.from_xml(
+            tallies) if Path(tallies).exists() else None
         plots = openmc.Plots.from_xml(plots) if Path(plots).exists() else None
         return cls(geometry, materials, settings, tallies, plots)
 
@@ -257,12 +259,16 @@ class Model:
         model = cls()
 
         meshes = {}
-        model.settings = openmc.Settings.from_xml_element(root.find('settings'), meshes)
-        model.materials = openmc.Materials.from_xml_element(root.find('materials'))
-        model.geometry = openmc.Geometry.from_xml_element(root.find('geometry'), model.materials)
+        model.settings = openmc.Settings.from_xml_element(
+            root.find('settings'), meshes)
+        model.materials = openmc.Materials.from_xml_element(
+            root.find('materials'))
+        model.geometry = openmc.Geometry.from_xml_element(
+            root.find('geometry'), model.materials)
 
         if root.find('tallies'):
-            model.tallies = openmc.Tallies.from_xml_element(root.find('tallies'), meshes)
+            model.tallies = openmc.Tallies.from_xml_element(
+                root.find('tallies'), meshes)
 
         if root.find('plots'):
             model.plots = openmc.Plots.from_xml_element(root.find('plots'))
@@ -530,11 +536,13 @@ class Model:
 
             if self.tallies:
                 tallies_element = self.tallies.to_xml_element(mesh_memo)
-                xml.clean_indentation(tallies_element, level=1, trailing_indent=self.plots)
+                xml.clean_indentation(
+                    tallies_element, level=1, trailing_indent=self.plots)
                 ET.ElementTree(tallies_element).write(fh, encoding='unicode')
             if self.plots:
                 plots_element = self.plots.to_xml_element()
-                xml.clean_indentation(plots_element, level=1, trailing_indent=False)
+                xml.clean_indentation(
+                    plots_element, level=1, trailing_indent=False)
                 ET.ElementTree(plots_element).write(fh, encoding='unicode')
             fh.write("</model>\n")
 
@@ -765,7 +773,8 @@ class Model:
             # Now we apply the volumes
             if apply_volumes:
                 # Load the results and add them to the model
-                for i, vol_calc in enumerate(self.settings.volume_calculations):
+                for i, vol_calc in enumerate(
+                        self.settings.volume_calculations):
                     vol_calc.load_results(f"volume_{i + 1}.h5")
                     # First add them to the Python side
                     self.geometry.add_volume_information(vol_calc)
@@ -933,7 +942,11 @@ class Model:
         self._change_py_lib_attribs(names_or_ids, vector, 'cell',
                                     'translation')
 
-    def update_densities(self, names_or_ids, density, density_units='atom/b-cm'):
+    def update_densities(
+            self,
+            names_or_ids,
+            density,
+            density_units='atom/b-cm'):
         """Update the density of a given set of materials to a new value
 
         .. note:: If applying this change to a name that is not unique, then

From 760ff7e34cfcb0d0c57fbd3ed90f8cf77d967be7 Mon Sep 17 00:00:00 2001
From: Baptiste Mouginot <15145274+bam241@users.noreply.github.com>
Date: Tue, 14 Feb 2023 15:12:04 +0100
Subject: [PATCH 1576/2654] fix return _materiaLs_by_id

---
 openmc/model/model.py | 31 +++++++++----------------------
 1 file changed, 9 insertions(+), 22 deletions(-)

diff --git a/openmc/model/model.py b/openmc/model/model.py
index 4fb8cd9e5..6ce6ef33a 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -128,7 +128,6 @@ class Model:
             mats = self.materials
         else:
             mats = self.geometry.get_all_materials().values()
-
         return {mat.id: mat for mat in mats}
 
     @property
@@ -237,8 +236,7 @@ class Model:
         materials = openmc.Materials.from_xml(materials)
         geometry = openmc.Geometry.from_xml(geometry, materials)
         settings = openmc.Settings.from_xml(settings)
-        tallies = openmc.Tallies.from_xml(
-            tallies) if Path(tallies).exists() else None
+        tallies = openmc.Tallies.from_xml(tallies) if Path(tallies).exists() else None
         plots = openmc.Plots.from_xml(plots) if Path(plots).exists() else None
         return cls(geometry, materials, settings, tallies, plots)
 
@@ -259,16 +257,12 @@ class Model:
         model = cls()
 
         meshes = {}
-        model.settings = openmc.Settings.from_xml_element(
-            root.find('settings'), meshes)
-        model.materials = openmc.Materials.from_xml_element(
-            root.find('materials'))
-        model.geometry = openmc.Geometry.from_xml_element(
-            root.find('geometry'), model.materials)
+        model.settings = openmc.Settings.from_xml_element(root.find('settings'), meshes)
+        model.materials = openmc.Materials.from_xml_element(root.find('materials'))
+        model.geometry = openmc.Geometry.from_xml_element(root.find('geometry'), model.materials)
 
         if root.find('tallies'):
-            model.tallies = openmc.Tallies.from_xml_element(
-                root.find('tallies'), meshes)
+            model.tallies = openmc.Tallies.from_xml_element(root.find('tallies'), meshes)
 
         if root.find('plots'):
             model.plots = openmc.Plots.from_xml_element(root.find('plots'))
@@ -536,13 +530,11 @@ class Model:
 
             if self.tallies:
                 tallies_element = self.tallies.to_xml_element(mesh_memo)
-                xml.clean_indentation(
-                    tallies_element, level=1, trailing_indent=self.plots)
+                xml.clean_indentation(tallies_element, level=1, trailing_indent=self.plots)
                 ET.ElementTree(tallies_element).write(fh, encoding='unicode')
             if self.plots:
                 plots_element = self.plots.to_xml_element()
-                xml.clean_indentation(
-                    plots_element, level=1, trailing_indent=False)
+                xml.clean_indentation(plots_element, level=1, trailing_indent=False)
                 ET.ElementTree(plots_element).write(fh, encoding='unicode')
             fh.write("</model>\n")
 
@@ -773,8 +765,7 @@ class Model:
             # Now we apply the volumes
             if apply_volumes:
                 # Load the results and add them to the model
-                for i, vol_calc in enumerate(
-                        self.settings.volume_calculations):
+                for i, vol_calc in enumerate(self.settings.volume_calculations):
                     vol_calc.load_results(f"volume_{i + 1}.h5")
                     # First add them to the Python side
                     self.geometry.add_volume_information(vol_calc)
@@ -942,11 +933,7 @@ class Model:
         self._change_py_lib_attribs(names_or_ids, vector, 'cell',
                                     'translation')
 
-    def update_densities(
-            self,
-            names_or_ids,
-            density,
-            density_units='atom/b-cm'):
+    def update_densities(self, names_or_ids, density, density_units='atom/b-cm'):
         """Update the density of a given set of materials to a new value
 
         .. note:: If applying this change to a name that is not unique, then

From 070e5b93e1e8056465b2abf60a0152bf6efc5bf9 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 14 Feb 2023 16:42:24 -0600
Subject: [PATCH 1577/2654] Try running CI on ubuntu-22.04

---
 .github/workflows/ci.yml | 16 ++++++++--------
 1 file changed, 8 insertions(+), 8 deletions(-)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index 20bf47bbb..b1846c9a0 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -22,10 +22,10 @@ env:
 
 jobs:
   main:
-    runs-on: ubuntu-20.04
+    runs-on: ubuntu-22.04
     strategy:
       matrix:
-        python-version: ['3.10']
+        python-version: ["3.10"]
         mpi: [n, y]
         omp: [n, y]
         dagmc: [n]
@@ -45,27 +45,27 @@ jobs:
             omp: n
             mpi: n
           - dagmc: y
-            python-version: '3.10'
+            python-version: "3.10"
             mpi: y
             omp: y
           - ncrystal: y
-            python-version: '3.10'
+            python-version: "3.10"
             mpi: n
             omp: n
           - libmesh: y
-            python-version: '3.10'
+            python-version: "3.10"
             mpi: y
             omp: y
           - libmesh: y
-            python-version: '3.10'
+            python-version: "3.10"
             mpi: n
             omp: y
           - event: y
-            python-version: '3.10'
+            python-version: "3.10"
             omp: y
             mpi: n
           - vectfit: y
-            python-version: '3.10'
+            python-version: "3.10"
             omp: n
             mpi: y
     name: "Python ${{ matrix.python-version }} (omp=${{ matrix.omp }},

From 0435e64fd0d271c0910ee9d19e5b0a84c337ac1d Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 14 Feb 2023 23:09:54 -0600
Subject: [PATCH 1578/2654] Disable AVX512 in numpy runtime SIMD dispatch

---
 .github/workflows/ci.yml | 1 +
 1 file changed, 1 insertion(+)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index b1846c9a0..0a47d5775 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -82,6 +82,7 @@ jobs:
       EVENT: ${{ matrix.event }}
       VECTFIT: ${{ matrix.vectfit }}
       LIBMESH: ${{ matrix.libmesh }}
+      NPY_DISABLE_CPU_FEATURES: "AVX512F AVX512_SKX"
 
     steps:
       - uses: actions/checkout@v3

From 5f5c0ed7a7e4d23dc0ed87562770301bf5dc5e3e Mon Sep 17 00:00:00 2001
From: Baptiste Mouginot <15145274+bam241@users.noreply.github.com>
Date: Wed, 15 Feb 2023 11:07:29 +0100
Subject: [PATCH 1579/2654] map_no_kargs

---
 openmc/deplete/pool.py | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/openmc/deplete/pool.py b/openmc/deplete/pool.py
index 13acb8bf5..d1eab413f 100644
--- a/openmc/deplete/pool.py
+++ b/openmc/deplete/pool.py
@@ -15,7 +15,7 @@ USE_MULTIPROCESSING = True
 NUM_PROCESSES = None
 
 
-def deplete(func, chain, x, rates, dt, matrix_func=None, **func_args):
+def deplete(func, chain, x, rates, dt, matrix_func=None, *func_args):
     """Deplete materials using given reaction rates for a specified time
 
     Parameters
@@ -60,7 +60,7 @@ def deplete(func, chain, x, rates, dt, matrix_func=None, **func_args):
         matrices = map(chain.form_matrix, rates, fission_yields)
     else:
         matrices = map(matrix_func, repeat(chain), rates, fission_yields,
-                       **func_args)
+                       *func_args)
 
     inputs = zip(matrices, x, repeat(dt))
 

From a2b828af52d5a93200693a3ed02411516916c7dd Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 15 Feb 2023 07:09:38 -0600
Subject: [PATCH 1580/2654] Use 1 thread for OpenBLAS calls from numpy

---
 .github/workflows/ci.yml | 1 +
 1 file changed, 1 insertion(+)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index 0a47d5775..fd516b7f9 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -83,6 +83,7 @@ jobs:
       VECTFIT: ${{ matrix.vectfit }}
       LIBMESH: ${{ matrix.libmesh }}
       NPY_DISABLE_CPU_FEATURES: "AVX512F AVX512_SKX"
+      OPENBLAS_NUM_THREADS: 1
 
     steps:
       - uses: actions/checkout@v3

From a25bbc250f2bdfefea6541b8dc8f2cc121a3266c Mon Sep 17 00:00:00 2001
From: Baptiste Mouginot <15145274+bam241@users.noreply.github.com>
Date: Thu, 16 Feb 2023 14:50:23 +0100
Subject: [PATCH 1581/2654] renaming func_args into matrix_args, fixing
 docstring accordingly

---
 openmc/deplete/pool.py | 8 ++++----
 1 file changed, 4 insertions(+), 4 deletions(-)

diff --git a/openmc/deplete/pool.py b/openmc/deplete/pool.py
index d1eab413f..aba60b558 100644
--- a/openmc/deplete/pool.py
+++ b/openmc/deplete/pool.py
@@ -15,7 +15,7 @@ USE_MULTIPROCESSING = True
 NUM_PROCESSES = None
 
 
-def deplete(func, chain, x, rates, dt, matrix_func=None, *func_args):
+def deplete(func, chain, x, rates, dt, matrix_func=None, *matrix_args):
     """Deplete materials using given reaction rates for a specified time
 
     Parameters
@@ -37,8 +37,8 @@ def deplete(func, chain, x, rates, dt, matrix_func=None, *func_args):
         ``fission_yields = {parent: {product: yield_frac}}``
         Expected to return the depletion matrix required by
         ``func``
-    func_args : dict
-        Remaining keyword arguments passed to matrix_func when used
+    matrix_args : Any, optional
+        Additional arguments passed to matrix_func
 
     Returns
     -------
@@ -60,7 +60,7 @@ def deplete(func, chain, x, rates, dt, matrix_func=None, *func_args):
         matrices = map(chain.form_matrix, rates, fission_yields)
     else:
         matrices = map(matrix_func, repeat(chain), rates, fission_yields,
-                       *func_args)
+                       *matrix_args)
 
     inputs = zip(matrices, x, repeat(dt))
 

From 9e88e706fe92860ce973630a4a288b15a4a8b66c Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Thu, 16 Feb 2023 16:20:44 +0000
Subject: [PATCH 1582/2654] testing get_all_universes is in DAGMCUniverse

---
 tests/unit_tests/test_universe.py | 8 +++++---
 1 file changed, 5 insertions(+), 3 deletions(-)

diff --git a/tests/unit_tests/test_universe.py b/tests/unit_tests/test_universe.py
index 26b7779a7..a70bd4667 100644
--- a/tests/unit_tests/test_universe.py
+++ b/tests/unit_tests/test_universe.py
@@ -93,10 +93,12 @@ def test_get_all_universes():
     u2 = openmc.Universe(cells=[c2])
     c3 = openmc.Cell(fill=u1)
     c4 = openmc.Cell(fill=u2)
-    u3 = openmc.Universe(cells=[c3, c4])
+    u3 = openmc.DAGMCUniverse(filename="")
+    c5 = openmc.Cell(fill=u3)
+    u4 = openmc.Universe(cells=[c3, c4, c5])
 
-    univs = set(u3.get_all_universes().values())
-    assert not (univs ^ {u1, u2})
+    univs = set(u4.get_all_universes().values())
+    assert not (univs ^ {u1, u2, u3})
 
 
 def test_clone():

From 04d9e27866dad92dc1a6fbc7676e76750c96cb63 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Thu, 16 Feb 2023 16:24:24 +0000
Subject: [PATCH 1583/2654] moving get_all_universes method

---
 openmc/universe.py | 34 +++++++++++++++++-----------------
 1 file changed, 17 insertions(+), 17 deletions(-)

diff --git a/openmc/universe.py b/openmc/universe.py
index c56cce7ca..2ed96f4bc 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -91,6 +91,23 @@ class UniverseBase(ABC, IDManagerMixin):
         else:
             raise ValueError('No volume information found for this universe.')
 
+    def get_all_universes(self):
+        """Return all universes that are contained within this one.
+
+        Returns
+        -------
+        universes : collections.OrderedDict
+            Dictionary whose keys are universe IDs and values are
+            :class:`Universe` instances
+
+        """
+        # Append all Universes within each Cell to the dictionary
+        universes = OrderedDict()
+        for cell in self.get_all_cells().values():
+            universes.update(cell.get_all_universes())
+
+        return universes
+
     @abstractmethod
     def create_xml_subelement(self, xml_element, memo=None):
         """Add the universe xml representation to an incoming xml element
@@ -538,23 +555,6 @@ class Universe(UniverseBase):
 
         return materials
 
-    def get_all_universes(self):
-        """Return all universes that are contained within this one.
-
-        Returns
-        -------
-        universes : collections.OrderedDict
-            Dictionary whose keys are universe IDs and values are
-            :class:`Universe` instances
-
-        """
-        # Append all Universes within each Cell to the dictionary
-        universes = OrderedDict()
-        for cell in self.get_all_cells().values():
-            universes.update(cell.get_all_universes())
-
-        return universes
-
     def create_xml_subelement(self, xml_element, memo=None):
         # Iterate over all Cells
         for cell in self._cells.values():

From 1a2d1237da0b46f8cc0dddeaccee3c7f1036381d Mon Sep 17 00:00:00 2001
From: Ethan Peterson <ethan.peterson@mit.edu>
Date: Thu, 16 Feb 2023 12:27:15 -0500
Subject: [PATCH 1584/2654] Update openmc/model/surface_composite.py

Co-authored-by: Jonathan Shimwell <drshimwell@gmail.com>
---
 openmc/model/surface_composite.py | 1 -
 1 file changed, 1 deletion(-)

diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index 044ecf61e..09c2f4fee 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -785,7 +785,6 @@ class Polygon(CompositeSurface):
         if np.sum(ypts*(np.roll(xpts, 1) - np.roll(xpts, -1))) < 0:
             points = points[::-1, :]
 
-
         # Check if polygon is self-intersecting by comparing edges pairwise
         n = len(points)
         for i in range(n):

From 1891ff7c2420e91701e41c9f9556e2938170649e Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 16 Feb 2023 13:47:42 -0600
Subject: [PATCH 1585/2654] Updating batch number checks for simulation and sp
 load

---
 src/simulation.cpp  | 2 +-
 src/state_point.cpp | 7 ++++---
 2 files changed, 5 insertions(+), 4 deletions(-)

diff --git a/src/simulation.cpp b/src/simulation.cpp
index 2f07f8124..7740c81d8 100644
--- a/src/simulation.cpp
+++ b/src/simulation.cpp
@@ -236,7 +236,7 @@ int openmc_next_batch(int* status)
 
   // Check simulation ending criteria
   if (status) {
-    if (simulation::current_batch == settings::n_max_batches) {
+    if (simulation::current_batch >= settings::n_max_batches) {
       *status = STATUS_EXIT_MAX_BATCH;
     } else if (simulation::satisfy_triggers) {
       *status = STATUS_EXIT_ON_TRIGGER;
diff --git a/src/state_point.cpp b/src/state_point.cpp
index 4170421be..8ca0166c6 100644
--- a/src/state_point.cpp
+++ b/src/state_point.cpp
@@ -403,9 +403,10 @@ void load_state_point()
   // Read batch number to restart at
   read_dataset(file_id, "current_batch", simulation::restart_batch);
 
-  if (simulation::restart_batch > settings::n_batches) {
-    fatal_error("The number batches specified in settings.xml is fewer "
-                " than the number of batches in the given statepoint file.");
+  if (simulation::restart_batch >= settings::n_batches) {
+    fatal_error(fmt::format("The number of batches specified for simiulation ({}) is smaller"
+                " than the number of batches in the restart statepoint file ({})",
+                settings::n_batches, simulation::restart_batch));
   }
 
   // Logical flag for source present in statepoint file

From 0e10a7da47ddbea8fd43236db59f3d414124c33b Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 16 Feb 2023 13:48:11 -0600
Subject: [PATCH 1586/2654] Allowing openmc.Pathlike for restart file argument

---
 openmc/executor.py | 5 +++--
 1 file changed, 3 insertions(+), 2 deletions(-)

diff --git a/openmc/executor.py b/openmc/executor.py
index accffd06a..e779fdde4 100644
--- a/openmc/executor.py
+++ b/openmc/executor.py
@@ -3,6 +3,7 @@ from numbers import Integral
 import subprocess
 
 import openmc
+from openmc.checkvalue import PathLike
 from .plots import _get_plot_image
 
 
@@ -73,8 +74,8 @@ def _process_CLI_arguments(volume=False, geometry_debug=False, particles=None,
         if event_based:
             args.append('-e')
 
-    if isinstance(restart_file, str):
-        args += ['-r', restart_file]
+    if isinstance(restart_file, PathLike.__args__):
+        args += ['-r', str(restart_file)]
 
     if tracks:
         args.append('-t')

From ee2f0f2c53048bb7dafed8f270cad2668ea5da14 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 16 Feb 2023 13:48:28 -0600
Subject: [PATCH 1587/2654] Adding a test for restart runs

---
 tests/unit_tests/test_restart.py | 23 +++++++++++++++++++++++
 1 file changed, 23 insertions(+)
 create mode 100644 tests/unit_tests/test_restart.py

diff --git a/tests/unit_tests/test_restart.py b/tests/unit_tests/test_restart.py
new file mode 100644
index 000000000..f2d99e082
--- /dev/null
+++ b/tests/unit_tests/test_restart.py
@@ -0,0 +1,23 @@
+import openmc
+
+import pytest
+
+def test_restart(run_in_tmpdir):
+
+    pincell = openmc.examples.pwr_pin_cell()
+
+    # run the pincell
+    sp_file = pincell.run()
+
+    # run a restart with the resulting statepoint
+    # and the settings unchanged
+
+    with pytest.raises(RuntimeError, match='is smaller than the number of batches'):
+        pincell.run(restart_file=sp_file)
+
+    # update the number of batches and run again
+    pincell.settings.batches = 15
+    sp_file = pincell.run(restart_file=sp_file)
+
+    sp = openmc.StatePoint(sp_file)
+    assert sp.n_batches == 15
\ No newline at end of file

From 461fd54f11a74ce7713b8717661566905db76483 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 16 Feb 2023 13:53:57 -0600
Subject: [PATCH 1588/2654] Updating doc strings

---
 openmc/executor.py    | 10 +++++-----
 openmc/geometry.py    |  2 +-
 openmc/model/model.py |  6 +++---
 3 files changed, 9 insertions(+), 9 deletions(-)

diff --git a/openmc/executor.py b/openmc/executor.py
index e779fdde4..758604c91 100644
--- a/openmc/executor.py
+++ b/openmc/executor.py
@@ -24,7 +24,7 @@ def _process_CLI_arguments(volume=False, geometry_debug=False, particles=None,
         Number of particles to simulate per generation.
     plot : bool, optional
         Run in plotting mode. Defaults to False.
-    restart_file : str, optional
+    restart_file : str or PathLike
         Path to restart file to use
     threads : int, optional
         Number of OpenMP threads. If OpenMC is compiled with OpenMP threading
@@ -43,7 +43,7 @@ def _process_CLI_arguments(volume=False, geometry_debug=False, particles=None,
     mpi_args : list of str, optional
         MPI execute command and any additional MPI arguments to pass,
         e.g., ['mpiexec', '-n', '8'].
-    path_input : str or Pathlike
+    path_input : str or PathLike
         Path to a single XML file or a directory containing XML files for the
         OpenMC executable to read.
 
@@ -231,7 +231,7 @@ def calculate_volumes(threads=None, output=True, cwd='.',
     cwd : str, optional
         Path to working directory to run in. Defaults to the current working
         directory.
-    path_input : str or Pathlike
+    path_input : str or PathLike
         Path to a single XML file or a directory containing XML files for the
         OpenMC executable to read.
 
@@ -271,7 +271,7 @@ def run(particles=None, threads=None, geometry_debug=False,
         :envvar:`OMP_NUM_THREADS` environment variable).
     geometry_debug : bool, optional
         Turn on geometry debugging during simulation. Defaults to False.
-    restart_file : str, optional
+    restart_file : str or PathLike
         Path to restart file to use
     tracks : bool, optional
         Enables the writing of particles tracks. The number of particle tracks
@@ -292,7 +292,7 @@ def run(particles=None, threads=None, geometry_debug=False,
 
         .. versionadded:: 0.12
 
-    path_input : str or Pathlike
+    path_input : str or PathLike
         Path to a single XML file or a directory containing XML files for the
         OpenMC executable to read.
 
diff --git a/openmc/geometry.py b/openmc/geometry.py
index 511a3da40..d01826a4d 100644
--- a/openmc/geometry.py
+++ b/openmc/geometry.py
@@ -278,7 +278,7 @@ class Geometry:
 
         """
 
-        # Using str and os.Pathlike here to avoid error when using just the imported PathLike
+        # Using str and os.PathLike here to avoid error when using just the imported PathLike
         # TypeError: Subscripted generics cannot be used with class and instance checks
         check_type('materials', materials, (str, os.PathLike, openmc.Materials))
 
diff --git a/openmc/model/model.py b/openmc/model/model.py
index 6ce6ef33a..79708d62b 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -248,7 +248,7 @@ class Model:
 
         Parameters
         ----------
-        path : str or Pathlike
+        path : str or PathLike
             Path to model.xml file
         """
         tree = ET.parse(path)
@@ -473,7 +473,7 @@ class Model:
 
         Parameters
         ----------
-        path : str or Pathlike
+        path : str or PathLike
             Location of the XML file to write (default is 'model.xml'). Can be a
             directory or file path.
         remove_surfs : bool
@@ -620,7 +620,7 @@ class Model:
             value set by the :envvar:`OMP_NUM_THREADS` environment variable).
         geometry_debug : bool, optional
             Turn on geometry debugging during simulation. Defaults to False.
-        restart_file : str, optional
+        restart_file : str or PathLike
             Path to restart file to use
         tracks : bool, optional
             Enables the writing of particles tracks. The number of particle

From ce62bbd9c5822881b9bb35631f023967e2a75e83 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 16 Feb 2023 14:06:59 -0600
Subject: [PATCH 1589/2654] Add missing override specifiers

---
 include/openmc/distribution.h         |  18 ++--
 include/openmc/distribution_energy.h  |  12 +--
 include/openmc/distribution_multi.h   |   6 +-
 include/openmc/distribution_spatial.h |  12 +--
 include/openmc/lattice.h              |  50 +++++-----
 include/openmc/mesh.h                 |   2 -
 include/openmc/scattdata.h            |  45 +++++----
 include/openmc/surface.h              | 137 +++++++++++++-------------
 8 files changed, 142 insertions(+), 140 deletions(-)

diff --git a/include/openmc/distribution.h b/include/openmc/distribution.h
index 4fc0db2e0..815ffa21a 100644
--- a/include/openmc/distribution.h
+++ b/include/openmc/distribution.h
@@ -43,7 +43,7 @@ public:
   //! Sample a value from the distribution
   //! \param seed Pseudorandom number seed pointer
   //! \return Sampled value
-  double sample(uint64_t* seed) const;
+  double sample(uint64_t* seed) const override;
 
   // Properties
   const vector<double>& x() const { return x_; }
@@ -75,7 +75,7 @@ public:
   //! Sample a value from the distribution
   //! \param seed Pseudorandom number seed pointer
   //! \return Sampled value
-  double sample(uint64_t* seed) const;
+  double sample(uint64_t* seed) const override;
 
   double a() const { return a_; }
   double b() const { return b_; }
@@ -99,7 +99,7 @@ public:
   //! Sample a value from the distribution
   //! \param seed Pseudorandom number seed pointer
   //! \return Sampled value
-  double sample(uint64_t* seed) const;
+  double sample(uint64_t* seed) const override;
 
   double a() const { return std::pow(offset_, ninv_); }
   double b() const { return std::pow(offset_ + span_, ninv_); }
@@ -124,7 +124,7 @@ public:
   //! Sample a value from the distribution
   //! \param seed Pseudorandom number seed pointer
   //! \return Sampled value
-  double sample(uint64_t* seed) const;
+  double sample(uint64_t* seed) const override;
 
   double theta() const { return theta_; }
 
@@ -144,7 +144,7 @@ public:
   //! Sample a value from the distribution
   //! \param seed Pseudorandom number seed pointer
   //! \return Sampled value
-  double sample(uint64_t* seed) const;
+  double sample(uint64_t* seed) const override;
 
   double a() const { return a_; }
   double b() const { return b_; }
@@ -168,7 +168,7 @@ public:
   //! Sample a value from the distribution
   //! \param seed Pseudorandom number seed pointer
   //! \return Sampled value
-  double sample(uint64_t* seed) const;
+  double sample(uint64_t* seed) const override;
 
   double mean_value() const { return mean_value_; }
   double std_dev() const { return std_dev_; }
@@ -191,7 +191,7 @@ public:
   //! Sample a value from the distribution
   //! \param seed Pseudorandom number seed pointer
   //! \return Sampled value
-  double sample(uint64_t* seed) const;
+  double sample(uint64_t* seed) const override;
 
   // x property
   vector<double>& x() { return x_; }
@@ -225,7 +225,7 @@ public:
   //! Sample a value from the distribution
   //! \param seed Pseudorandom number seed pointer
   //! \return Sampled value
-  double sample(uint64_t* seed) const;
+  double sample(uint64_t* seed) const override;
 
   const vector<double>& x() const { return x_; }
 
@@ -244,7 +244,7 @@ public:
   //! Sample a value from the distribution
   //! \param seed Pseudorandom number seed pointer
   //! \return Sampled value
-  double sample(uint64_t* seed) const;
+  double sample(uint64_t* seed) const override;
 
 private:
   // Storrage for probability + distribution
diff --git a/include/openmc/distribution_energy.h b/include/openmc/distribution_energy.h
index d8512aa45..9b08ed039 100644
--- a/include/openmc/distribution_energy.h
+++ b/include/openmc/distribution_energy.h
@@ -37,7 +37,7 @@ public:
   //! \param[in] E Incident particle energy in [eV]
   //! \param[inout] seed Pseudorandom number seed pointer
   //! \return Sampled energy in [eV]
-  double sample(double E, uint64_t* seed) const;
+  double sample(double E, uint64_t* seed) const override;
 
 private:
   int primary_flag_; //!< Indicator of whether the photon is a primary or
@@ -58,7 +58,7 @@ public:
   //! \param[in] E Incident particle energy in [eV]
   //! \param[inout] seed Pseudorandom number seed pointer
   //! \return Sampled energy in [eV]
-  double sample(double E, uint64_t* seed) const;
+  double sample(double E, uint64_t* seed) const override;
 
 private:
   double threshold_;  //!< Energy threshold in lab, (A + 1)/A * |Q|
@@ -79,7 +79,7 @@ public:
   //! \param[in] E Incident particle energy in [eV]
   //! \param[inout] seed Pseudorandom number seed pointer
   //! \return Sampled energy in [eV]
-  double sample(double E, uint64_t* seed) const;
+  double sample(double E, uint64_t* seed) const override;
 
 private:
   //! Outgoing energy for a single incoming energy
@@ -110,7 +110,7 @@ public:
   //! \param[in] E Incident particle energy in [eV]
   //! \param[inout] seed Pseudorandom number seed pointer
   //! \return Sampled energy in [eV]
-  double sample(double E, uint64_t* seed) const;
+  double sample(double E, uint64_t* seed) const override;
 
 private:
   Tabulated1D theta_; //!< Incoming energy dependent parameter
@@ -130,7 +130,7 @@ public:
   //! \param[in] E Incident particle energy in [eV]
   //! \param[inout] seed Pseudorandom number seed pointer
   //! \return Sampled energy in [eV]
-  double sample(double E, uint64_t* seed) const;
+  double sample(double E, uint64_t* seed) const override;
 
 private:
   Tabulated1D theta_; //!< Incoming energy dependent parameter
@@ -150,7 +150,7 @@ public:
   //! \param[in] E Incident particle energy in [eV]
   //! \param[inout] seed Pseudorandom number seed pointer
   //! \return Sampled energy in [eV]
-  double sample(double E, uint64_t* seed) const;
+  double sample(double E, uint64_t* seed) const override;
 
 private:
   Tabulated1D a_; //!< Energy-dependent 'a' parameter
diff --git a/include/openmc/distribution_multi.h b/include/openmc/distribution_multi.h
index 991294f79..e171d58ab 100644
--- a/include/openmc/distribution_multi.h
+++ b/include/openmc/distribution_multi.h
@@ -42,7 +42,7 @@ public:
   //! Sample a direction from the distribution
   //! \param seed Pseudorandom number seed pointer
   //! \return Direction sampled
-  Direction sample(uint64_t* seed) const;
+  Direction sample(uint64_t* seed) const override;
 
   // Observing pointers
   Distribution* mu() const { return mu_.get(); }
@@ -66,7 +66,7 @@ public:
   //! Sample a direction from the distribution
   //! \param seed Pseudorandom number seed pointer
   //! \return Sampled direction
-  Direction sample(uint64_t* seed) const;
+  Direction sample(uint64_t* seed) const override;
 };
 
 //==============================================================================
@@ -82,7 +82,7 @@ public:
   //! Sample a direction from the distribution
   //! \param seed Pseudorandom number seed pointer
   //! \return Sampled direction
-  Direction sample(uint64_t* seed) const;
+  Direction sample(uint64_t* seed) const override;
 };
 
 using UPtrAngle = unique_ptr<UnitSphereDistribution>;
diff --git a/include/openmc/distribution_spatial.h b/include/openmc/distribution_spatial.h
index dda23927e..a8cc7c58e 100644
--- a/include/openmc/distribution_spatial.h
+++ b/include/openmc/distribution_spatial.h
@@ -32,7 +32,7 @@ public:
   //! Sample a position from the distribution
   //! \param seed Pseudorandom number seed pointer
   //! \return Sampled position
-  Position sample(uint64_t* seed) const;
+  Position sample(uint64_t* seed) const override;
 
   // Observer pointers
   Distribution* x() const { return x_.get(); }
@@ -56,7 +56,7 @@ public:
   //! Sample a position from the distribution
   //! \param seed Pseudorandom number seed pointer
   //! \return Sampled position
-  Position sample(uint64_t* seed) const;
+  Position sample(uint64_t* seed) const override;
 
   Distribution* r() const { return r_.get(); }
   Distribution* phi() const { return phi_.get(); }
@@ -81,7 +81,7 @@ public:
   //! Sample a position from the distribution
   //! \param seed Pseudorandom number seed pointer
   //! \return Sampled position
-  Position sample(uint64_t* seed) const;
+  Position sample(uint64_t* seed) const override;
 
   Distribution* r() const { return r_.get(); }
   Distribution* cos_theta() const { return cos_theta_.get(); }
@@ -106,7 +106,7 @@ public:
   //! Sample a position from the distribution
   //! \param seed Pseudorandom number seed pointer
   //! \return Sampled position
-  Position sample(uint64_t* seed) const;
+  Position sample(uint64_t* seed) const override;
 
   const Mesh* mesh() const { return model::meshes.at(mesh_idx_).get(); }
 
@@ -132,7 +132,7 @@ public:
   //! Sample a position from the distribution
   //! \param seed Pseudorandom number seed pointer
   //! \return Sampled position
-  Position sample(uint64_t* seed) const;
+  Position sample(uint64_t* seed) const override;
 
   // Properties
   bool only_fissionable() const { return only_fissionable_; }
@@ -158,7 +158,7 @@ public:
   //! Sample a position from the distribution
   //! \param seed Pseudorandom number seed pointer
   //! \return Sampled position
-  Position sample(uint64_t* seed) const;
+  Position sample(uint64_t* seed) const override;
 
   Position r() const { return r_; }
 
diff --git a/include/openmc/lattice.h b/include/openmc/lattice.h
index a2411467d..11dda4a6b 100644
--- a/include/openmc/lattice.h
+++ b/include/openmc/lattice.h
@@ -206,26 +206,28 @@ class RectLattice : public Lattice {
 public:
   explicit RectLattice(pugi::xml_node lat_node);
 
-  int32_t const& operator[](array<int, 3> const& i_xyz);
+  int32_t const& operator[](array<int, 3> const& i_xyz) override;
 
-  bool are_valid_indices(array<int, 3> const& i_xyz) const;
+  bool are_valid_indices(array<int, 3> const& i_xyz) const override;
 
   std::pair<double, array<int, 3>> distance(
-    Position r, Direction u, const array<int, 3>& i_xyz) const;
+    Position r, Direction u, const array<int, 3>& i_xyz) const override;
 
-  void get_indices(Position r, Direction u, array<int, 3>& result) const;
+  void get_indices(
+    Position r, Direction u, array<int, 3>& result) const override;
 
-  int get_flat_index(const array<int, 3>& i_xyz) const;
+  int get_flat_index(const array<int, 3>& i_xyz) const override;
 
-  Position get_local_position(Position r, const array<int, 3>& i_xyz) const;
+  Position get_local_position(
+    Position r, const array<int, 3>& i_xyz) const override;
 
-  int32_t& offset(int map, array<int, 3> const& i_xyz);
+  int32_t& offset(int map, array<int, 3> const& i_xyz) override;
 
-  int32_t offset(int map, int indx) const;
+  int32_t offset(int map, int indx) const override;
 
-  std::string index_to_string(int indx) const;
+  std::string index_to_string(int indx) const override;
 
-  void to_hdf5_inner(hid_t group_id) const;
+  void to_hdf5_inner(hid_t group_id) const override;
 
 private:
   array<int, 3> n_cells_; //!< Number of cells along each axis
@@ -239,32 +241,34 @@ class HexLattice : public Lattice {
 public:
   explicit HexLattice(pugi::xml_node lat_node);
 
-  int32_t const& operator[](array<int, 3> const& i_xyz);
+  int32_t const& operator[](array<int, 3> const& i_xyz) override;
 
-  LatticeIter begin();
+  LatticeIter begin() override;
 
-  ReverseLatticeIter rbegin();
+  ReverseLatticeIter rbegin() override;
 
-  bool are_valid_indices(array<int, 3> const& i_xyz) const;
+  bool are_valid_indices(array<int, 3> const& i_xyz) const override;
 
   std::pair<double, array<int, 3>> distance(
-    Position r, Direction u, const array<int, 3>& i_xyz) const;
+    Position r, Direction u, const array<int, 3>& i_xyz) const override;
 
-  void get_indices(Position r, Direction u, array<int, 3>& result) const;
+  void get_indices(
+    Position r, Direction u, array<int, 3>& result) const override;
 
-  int get_flat_index(const array<int, 3>& i_xyz) const;
+  int get_flat_index(const array<int, 3>& i_xyz) const override;
 
-  Position get_local_position(Position r, const array<int, 3>& i_xyz) const;
+  Position get_local_position(
+    Position r, const array<int, 3>& i_xyz) const override;
 
-  bool is_valid_index(int indx) const;
+  bool is_valid_index(int indx) const override;
 
-  int32_t& offset(int map, array<int, 3> const& i_xyz);
+  int32_t& offset(int map, array<int, 3> const& i_xyz) override;
 
-  int32_t offset(int map, int indx) const;
+  int32_t offset(int map, int indx) const override;
 
-  std::string index_to_string(int indx) const;
+  std::string index_to_string(int indx) const override;
 
-  void to_hdf5_inner(hid_t group_id) const;
+  void to_hdf5_inner(hid_t group_id) const override;
 
 private:
   enum class Orientation {
diff --git a/include/openmc/mesh.h b/include/openmc/mesh.h
index 7abc8a832..93d08f597 100644
--- a/include/openmc/mesh.h
+++ b/include/openmc/mesh.h
@@ -527,8 +527,6 @@ public:
   //! \return element connectivity as IDs of the vertices
   virtual std::vector<int> connectivity(int id) const = 0;
 
-  virtual double volume(int bin) const = 0;
-
   //! Get the library used for this unstructured mesh
   virtual std::string library() const = 0;
 
diff --git a/include/openmc/scattdata.h b/include/openmc/scattdata.h
index 9f911d7db..a75ef09d9 100644
--- a/include/openmc/scattdata.h
+++ b/include/openmc/scattdata.h
@@ -137,22 +137,23 @@ protected:
 public:
   void init(const xt::xtensor<int, 1>& in_gmin,
     const xt::xtensor<int, 1>& in_gmax, const double_2dvec& in_mult,
-    const double_3dvec& coeffs);
+    const double_3dvec& coeffs) override;
 
-  void combine(
-    const vector<ScattData*>& those_scatts, const vector<double>& scalars);
+  void combine(const vector<ScattData*>& those_scatts,
+    const vector<double>& scalars) override;
 
   //! \brief Find the maximal value of the angular distribution to use as a
   // bounding box with rejection sampling.
   void update_max_val();
 
-  double calc_f(int gin, int gout, double mu);
+  double calc_f(int gin, int gout, double mu) override;
 
-  void sample(int gin, int& gout, double& mu, double& wgt, uint64_t* seed);
+  void sample(
+    int gin, int& gout, double& mu, double& wgt, uint64_t* seed) override;
 
-  size_t get_order() { return dist[0][0].size() - 1; };
+  size_t get_order() override { return dist[0][0].size() - 1; };
 
-  xt::xtensor<double, 3> get_matrix(size_t max_order);
+  xt::xtensor<double, 3> get_matrix(size_t max_order) override;
 };
 
 //==============================================================================
@@ -170,18 +171,19 @@ protected:
 public:
   void init(const xt::xtensor<int, 1>& in_gmin,
     const xt::xtensor<int, 1>& in_gmax, const double_2dvec& in_mult,
-    const double_3dvec& coeffs);
+    const double_3dvec& coeffs) override;
 
-  void combine(
-    const vector<ScattData*>& those_scatts, const vector<double>& scalars);
+  void combine(const vector<ScattData*>& those_scatts,
+    const vector<double>& scalars) override;
 
-  double calc_f(int gin, int gout, double mu);
+  double calc_f(int gin, int gout, double mu) override;
 
-  void sample(int gin, int& gout, double& mu, double& wgt, uint64_t* seed);
+  void sample(
+    int gin, int& gout, double& mu, double& wgt, uint64_t* seed) override;
 
-  size_t get_order() { return dist[0][0].size(); };
+  size_t get_order() override { return dist[0][0].size(); };
 
-  xt::xtensor<double, 3> get_matrix(size_t max_order);
+  xt::xtensor<double, 3> get_matrix(size_t max_order) override;
 };
 
 //==============================================================================
@@ -204,18 +206,19 @@ protected:
 public:
   void init(const xt::xtensor<int, 1>& in_gmin,
     const xt::xtensor<int, 1>& in_gmax, const double_2dvec& in_mult,
-    const double_3dvec& coeffs);
+    const double_3dvec& coeffs) override;
 
-  void combine(
-    const vector<ScattData*>& those_scatts, const vector<double>& scalars);
+  void combine(const vector<ScattData*>& those_scatts,
+    const vector<double>& scalars) override;
 
-  double calc_f(int gin, int gout, double mu);
+  double calc_f(int gin, int gout, double mu) override;
 
-  void sample(int gin, int& gout, double& mu, double& wgt, uint64_t* seed);
+  void sample(
+    int gin, int& gout, double& mu, double& wgt, uint64_t* seed) override;
 
-  size_t get_order() { return dist[0][0].size(); };
+  size_t get_order() override { return dist[0][0].size(); };
 
-  xt::xtensor<double, 3> get_matrix(size_t max_order);
+  xt::xtensor<double, 3> get_matrix(size_t max_order) override;
 };
 
 //==============================================================================
diff --git a/include/openmc/surface.h b/include/openmc/surface.h
index 84a2ed113..4c97a0514 100644
--- a/include/openmc/surface.h
+++ b/include/openmc/surface.h
@@ -146,9 +146,6 @@ class CSGSurface : public Surface {
 public:
   explicit CSGSurface(pugi::xml_node surf_node);
   CSGSurface();
-
-protected:
-  virtual void to_hdf5_inner(hid_t group_id) const = 0;
 };
 
 //==============================================================================
@@ -160,11 +157,11 @@ protected:
 class SurfaceXPlane : public CSGSurface {
 public:
   explicit SurfaceXPlane(pugi::xml_node surf_node);
-  double evaluate(Position r) const;
-  double distance(Position r, Direction u, bool coincident) const;
-  Direction normal(Position r) const;
-  void to_hdf5_inner(hid_t group_id) const;
-  BoundingBox bounding_box(bool pos_side) const;
+  double evaluate(Position r) const override;
+  double distance(Position r, Direction u, bool coincident) const override;
+  Direction normal(Position r) const override;
+  void to_hdf5_inner(hid_t group_id) const override;
+  BoundingBox bounding_box(bool pos_side) const override;
 
   double x0_;
 };
@@ -178,11 +175,11 @@ public:
 class SurfaceYPlane : public CSGSurface {
 public:
   explicit SurfaceYPlane(pugi::xml_node surf_node);
-  double evaluate(Position r) const;
-  double distance(Position r, Direction u, bool coincident) const;
-  Direction normal(Position r) const;
-  void to_hdf5_inner(hid_t group_id) const;
-  BoundingBox bounding_box(bool pos_side) const;
+  double evaluate(Position r) const override;
+  double distance(Position r, Direction u, bool coincident) const override;
+  Direction normal(Position r) const override;
+  void to_hdf5_inner(hid_t group_id) const override;
+  BoundingBox bounding_box(bool pos_side) const override;
 
   double y0_;
 };
@@ -196,11 +193,11 @@ public:
 class SurfaceZPlane : public CSGSurface {
 public:
   explicit SurfaceZPlane(pugi::xml_node surf_node);
-  double evaluate(Position r) const;
-  double distance(Position r, Direction u, bool coincident) const;
-  Direction normal(Position r) const;
-  void to_hdf5_inner(hid_t group_id) const;
-  BoundingBox bounding_box(bool pos_side) const;
+  double evaluate(Position r) const override;
+  double distance(Position r, Direction u, bool coincident) const override;
+  Direction normal(Position r) const override;
+  void to_hdf5_inner(hid_t group_id) const override;
+  BoundingBox bounding_box(bool pos_side) const override;
 
   double z0_;
 };
@@ -214,10 +211,10 @@ public:
 class SurfacePlane : public CSGSurface {
 public:
   explicit SurfacePlane(pugi::xml_node surf_node);
-  double evaluate(Position r) const;
-  double distance(Position r, Direction u, bool coincident) const;
-  Direction normal(Position r) const;
-  void to_hdf5_inner(hid_t group_id) const;
+  double evaluate(Position r) const override;
+  double distance(Position r, Direction u, bool coincident) const override;
+  Direction normal(Position r) const override;
+  void to_hdf5_inner(hid_t group_id) const override;
 
   double A_, B_, C_, D_;
 };
@@ -232,11 +229,11 @@ public:
 class SurfaceXCylinder : public CSGSurface {
 public:
   explicit SurfaceXCylinder(pugi::xml_node surf_node);
-  double evaluate(Position r) const;
-  double distance(Position r, Direction u, bool coincident) const;
-  Direction normal(Position r) const;
-  void to_hdf5_inner(hid_t group_id) const;
-  BoundingBox bounding_box(bool pos_side) const;
+  double evaluate(Position r) const override;
+  double distance(Position r, Direction u, bool coincident) const override;
+  Direction normal(Position r) const override;
+  void to_hdf5_inner(hid_t group_id) const override;
+  BoundingBox bounding_box(bool pos_side) const override;
 
   double y0_, z0_, radius_;
 };
@@ -251,11 +248,11 @@ public:
 class SurfaceYCylinder : public CSGSurface {
 public:
   explicit SurfaceYCylinder(pugi::xml_node surf_node);
-  double evaluate(Position r) const;
-  double distance(Position r, Direction u, bool coincident) const;
-  Direction normal(Position r) const;
-  void to_hdf5_inner(hid_t group_id) const;
-  BoundingBox bounding_box(bool pos_side) const;
+  double evaluate(Position r) const override;
+  double distance(Position r, Direction u, bool coincident) const override;
+  Direction normal(Position r) const override;
+  void to_hdf5_inner(hid_t group_id) const override;
+  BoundingBox bounding_box(bool pos_side) const override;
 
   double x0_, z0_, radius_;
 };
@@ -270,11 +267,11 @@ public:
 class SurfaceZCylinder : public CSGSurface {
 public:
   explicit SurfaceZCylinder(pugi::xml_node surf_node);
-  double evaluate(Position r) const;
-  double distance(Position r, Direction u, bool coincident) const;
-  Direction normal(Position r) const;
-  void to_hdf5_inner(hid_t group_id) const;
-  BoundingBox bounding_box(bool pos_side) const;
+  double evaluate(Position r) const override;
+  double distance(Position r, Direction u, bool coincident) const override;
+  Direction normal(Position r) const override;
+  void to_hdf5_inner(hid_t group_id) const override;
+  BoundingBox bounding_box(bool pos_side) const override;
 
   double x0_, y0_, radius_;
 };
@@ -289,11 +286,11 @@ public:
 class SurfaceSphere : public CSGSurface {
 public:
   explicit SurfaceSphere(pugi::xml_node surf_node);
-  double evaluate(Position r) const;
-  double distance(Position r, Direction u, bool coincident) const;
-  Direction normal(Position r) const;
-  void to_hdf5_inner(hid_t group_id) const;
-  BoundingBox bounding_box(bool pos_side) const;
+  double evaluate(Position r) const override;
+  double distance(Position r, Direction u, bool coincident) const override;
+  Direction normal(Position r) const override;
+  void to_hdf5_inner(hid_t group_id) const override;
+  BoundingBox bounding_box(bool pos_side) const override;
 
   double x0_, y0_, z0_, radius_;
 };
@@ -308,10 +305,10 @@ public:
 class SurfaceXCone : public CSGSurface {
 public:
   explicit SurfaceXCone(pugi::xml_node surf_node);
-  double evaluate(Position r) const;
-  double distance(Position r, Direction u, bool coincident) const;
-  Direction normal(Position r) const;
-  void to_hdf5_inner(hid_t group_id) const;
+  double evaluate(Position r) const override;
+  double distance(Position r, Direction u, bool coincident) const override;
+  Direction normal(Position r) const override;
+  void to_hdf5_inner(hid_t group_id) const override;
 
   double x0_, y0_, z0_, radius_sq_;
 };
@@ -326,10 +323,10 @@ public:
 class SurfaceYCone : public CSGSurface {
 public:
   explicit SurfaceYCone(pugi::xml_node surf_node);
-  double evaluate(Position r) const;
-  double distance(Position r, Direction u, bool coincident) const;
-  Direction normal(Position r) const;
-  void to_hdf5_inner(hid_t group_id) const;
+  double evaluate(Position r) const override;
+  double distance(Position r, Direction u, bool coincident) const override;
+  Direction normal(Position r) const override;
+  void to_hdf5_inner(hid_t group_id) const override;
 
   double x0_, y0_, z0_, radius_sq_;
 };
@@ -344,10 +341,10 @@ public:
 class SurfaceZCone : public CSGSurface {
 public:
   explicit SurfaceZCone(pugi::xml_node surf_node);
-  double evaluate(Position r) const;
-  double distance(Position r, Direction u, bool coincident) const;
-  Direction normal(Position r) const;
-  void to_hdf5_inner(hid_t group_id) const;
+  double evaluate(Position r) const override;
+  double distance(Position r, Direction u, bool coincident) const override;
+  Direction normal(Position r) const override;
+  void to_hdf5_inner(hid_t group_id) const override;
 
   double x0_, y0_, z0_, radius_sq_;
 };
@@ -362,10 +359,10 @@ public:
 class SurfaceQuadric : public CSGSurface {
 public:
   explicit SurfaceQuadric(pugi::xml_node surf_node);
-  double evaluate(Position r) const;
-  double distance(Position r, Direction u, bool coincident) const;
-  Direction normal(Position r) const;
-  void to_hdf5_inner(hid_t group_id) const;
+  double evaluate(Position r) const override;
+  double distance(Position r, Direction u, bool coincident) const override;
+  Direction normal(Position r) const override;
+  void to_hdf5_inner(hid_t group_id) const override;
 
   // Ax^2 + By^2 + Cz^2 + Dxy + Eyz + Fxz + Gx + Hy + Jz + K = 0
   double A_, B_, C_, D_, E_, F_, G_, H_, J_, K_;
@@ -380,10 +377,10 @@ public:
 class SurfaceXTorus : public CSGSurface {
 public:
   explicit SurfaceXTorus(pugi::xml_node surf_node);
-  double evaluate(Position r) const;
-  double distance(Position r, Direction u, bool coincident) const;
-  Direction normal(Position r) const;
-  void to_hdf5_inner(hid_t group_id) const;
+  double evaluate(Position r) const override;
+  double distance(Position r, Direction u, bool coincident) const override;
+  Direction normal(Position r) const override;
+  void to_hdf5_inner(hid_t group_id) const override;
 
   double x0_, y0_, z0_, A_, B_, C_;
 };
@@ -397,10 +394,10 @@ public:
 class SurfaceYTorus : public CSGSurface {
 public:
   explicit SurfaceYTorus(pugi::xml_node surf_node);
-  double evaluate(Position r) const;
-  double distance(Position r, Direction u, bool coincident) const;
-  Direction normal(Position r) const;
-  void to_hdf5_inner(hid_t group_id) const;
+  double evaluate(Position r) const override;
+  double distance(Position r, Direction u, bool coincident) const override;
+  Direction normal(Position r) const override;
+  void to_hdf5_inner(hid_t group_id) const override;
 
   double x0_, y0_, z0_, A_, B_, C_;
 };
@@ -414,10 +411,10 @@ public:
 class SurfaceZTorus : public CSGSurface {
 public:
   explicit SurfaceZTorus(pugi::xml_node surf_node);
-  double evaluate(Position r) const;
-  double distance(Position r, Direction u, bool coincident) const;
-  Direction normal(Position r) const;
-  void to_hdf5_inner(hid_t group_id) const;
+  double evaluate(Position r) const override;
+  double distance(Position r, Direction u, bool coincident) const override;
+  Direction normal(Position r) const override;
+  void to_hdf5_inner(hid_t group_id) const override;
 
   double x0_, y0_, z0_, A_, B_, C_;
 };

From 9803c2611196bb9d9e89ef46e24ab8c2d4b7e17d Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 16 Feb 2023 16:18:41 -0600
Subject: [PATCH 1590/2654] bwd compatibility fix for reading filter elements

---
 openmc/filter.py                 |  2 ++
 tests/unit_tests/test_restart.py | 23 -----------------------
 2 files changed, 2 insertions(+), 23 deletions(-)
 delete mode 100644 tests/unit_tests/test_restart.py

diff --git a/openmc/filter.py b/openmc/filter.py
index c52d3f135..1f2f9816c 100644
--- a/openmc/filter.py
+++ b/openmc/filter.py
@@ -258,6 +258,8 @@ class Filter(IDManagerMixin, metaclass=FilterMeta):
 
         """
         filter_type = elem.get('type')
+        if filter_type is None:
+            filter_type = elem.find('type').text
 
         # If the filter type matches this class's short_name, then
         # there is no overridden from_xml_element method
diff --git a/tests/unit_tests/test_restart.py b/tests/unit_tests/test_restart.py
deleted file mode 100644
index f2d99e082..000000000
--- a/tests/unit_tests/test_restart.py
+++ /dev/null
@@ -1,23 +0,0 @@
-import openmc
-
-import pytest
-
-def test_restart(run_in_tmpdir):
-
-    pincell = openmc.examples.pwr_pin_cell()
-
-    # run the pincell
-    sp_file = pincell.run()
-
-    # run a restart with the resulting statepoint
-    # and the settings unchanged
-
-    with pytest.raises(RuntimeError, match='is smaller than the number of batches'):
-        pincell.run(restart_file=sp_file)
-
-    # update the number of batches and run again
-    pincell.settings.batches = 15
-    sp_file = pincell.run(restart_file=sp_file)
-
-    sp = openmc.StatePoint(sp_file)
-    assert sp.n_batches == 15
\ No newline at end of file

From 648313fab16719d526adb69444bf18303e94ec0d Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 16 Feb 2023 16:28:05 -0600
Subject: [PATCH 1591/2654] Adding to regression test instead of making new
 unit test

---
 .../statepoint_restart/test.py                | 27 +++++++++++++++++++
 1 file changed, 27 insertions(+)

diff --git a/tests/regression_tests/statepoint_restart/test.py b/tests/regression_tests/statepoint_restart/test.py
index 4575607f7..9ab528e61 100644
--- a/tests/regression_tests/statepoint_restart/test.py
+++ b/tests/regression_tests/statepoint_restart/test.py
@@ -1,11 +1,14 @@
 import glob
 import os
+from pathlib import Path
 
 import openmc
 
 from tests.testing_harness import TestHarness
 from tests.regression_tests import config
+from tests import cdtemp
 
+import pytest
 
 class StatepointRestartTestHarness(TestHarness):
     def __init__(self, final_sp, restart_sp):
@@ -59,3 +62,27 @@ def test_statepoint_restart():
     harness = StatepointRestartTestHarness('statepoint.10.h5',
                                            'statepoint.07.h5')
     harness.main()
+
+
+def test_batch_check(request):
+    xmls = glob.glob('*.xml')
+    xmls = [request.fspath.dirpath() / Path(f) for f in xmls]
+
+    with cdtemp(xmls):
+        model = openmc.Model.from_xml()
+        model.settings.particles = 100
+        # run the model
+        sp_file = model.run()
+
+        # run a restart with the resulting statepoint
+        # and the settings unchanged
+        with pytest.raises(RuntimeError, match='is smaller than the number of batches'):
+            model.run(restart_file=sp_file)
+
+        # update the number of batches and run again
+        model.settings.batches = 15
+        model.settings.statepoint = {}
+        sp_file = model.run(restart_file=sp_file)
+
+        sp = openmc.StatePoint(sp_file)
+        assert sp.n_batches == 15
\ No newline at end of file

From 65852f4fbc8e2cbe702af558733aff0bae83d1a3 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 16 Feb 2023 17:52:23 -0600
Subject: [PATCH 1592/2654] Update batch comparison in statepoint load

---
 src/state_point.cpp | 9 +++++----
 1 file changed, 5 insertions(+), 4 deletions(-)

diff --git a/src/state_point.cpp b/src/state_point.cpp
index 8ca0166c6..23538da59 100644
--- a/src/state_point.cpp
+++ b/src/state_point.cpp
@@ -403,10 +403,11 @@ void load_state_point()
   // Read batch number to restart at
   read_dataset(file_id, "current_batch", simulation::restart_batch);
 
-  if (simulation::restart_batch >= settings::n_batches) {
-    fatal_error(fmt::format("The number of batches specified for simiulation ({}) is smaller"
-                " than the number of batches in the restart statepoint file ({})",
-                settings::n_batches, simulation::restart_batch));
+  if (simulation::restart_batch >= settings::n_max_batches) {
+    fatal_error(fmt::format(
+      "The number of batches specified for simiulation ({}) is smaller"
+      " than the number of batches in the restart statepoint file ({})",
+      settings::n_max_batches, simulation::restart_batch));
   }
 
   // Logical flag for source present in statepoint file

From 0aba858f95d4350c91228bdfe9962c4bc64582d8 Mon Sep 17 00:00:00 2001
From: josh <josh@radiantnuclear.com>
Date: Fri, 17 Feb 2023 02:15:50 +0000
Subject: [PATCH 1593/2654] sort nuclides when adding by element

---
 openmc/element.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/element.py b/openmc/element.py
index 49aeaf464..729266cc2 100644
--- a/openmc/element.py
+++ b/openmc/element.py
@@ -195,7 +195,7 @@ class Element(str):
         # If a cross_section library is not present, expand the element into
         # its natural nuclides
         else:
-            for nuclide in natural_nuclides:
+            for nuclide in sorted(list(natural_nuclides)):
                 abundances[nuclide] = NATURAL_ABUNDANCE[nuclide]
 
         # Modify mole fractions if enrichment provided

From c634a1467445352974e391cdfe7e80d936d3c6a9 Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Fri, 17 Feb 2023 10:56:42 -0500
Subject: [PATCH 1594/2654] added origin to docstrings

---
 openmc/mesh.py | 4 ++++
 1 file changed, 4 insertions(+)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 10d07000e..06f024676 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -1049,6 +1049,8 @@ class CylindricalMesh(StructuredMesh):
         The default value is [0, 2π], i.e. the full phi range.
     z_grid : numpy.ndarray
         1-D array of mesh boundary points along the z-axis.
+    origin : tuple
+        The (x,y,z) origin of the mesh in cartesian coordinates
     indices : Iterable of tuple
         An iterable of mesh indices for each mesh element, e.g. [(1, 1, 1),
         (2, 1, 1), ...]
@@ -1376,6 +1378,8 @@ class SphericalMesh(StructuredMesh):
     phi_grid : numpy.ndarray
         1-D array of mesh boundary points along the phi-axis in radians.
         The default value is [0, 2π], i.e. the full phi range.
+    origin : tuple
+        The (x,y,z) origin of the mesh in cartesian coordinates
     indices : Iterable of tuple
         An iterable of mesh indices for each mesh element, e.g. [(1, 1, 1),
         (2, 1, 1), ...]

From d5ce4af68a77d95605df461fa850a300c1804c2c Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 16 Feb 2023 07:45:47 -0600
Subject: [PATCH 1595/2654] Add RDMAV_FORK_SAFE=1 to avoid fork error with
 libfabric

---
 .github/workflows/ci.yml | 4 ++++
 tools/ci/gha-script.sh   | 2 +-
 2 files changed, 5 insertions(+), 1 deletion(-)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index fd516b7f9..999dea312 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -84,6 +84,10 @@ jobs:
       LIBMESH: ${{ matrix.libmesh }}
       NPY_DISABLE_CPU_FEATURES: "AVX512F AVX512_SKX"
       OPENBLAS_NUM_THREADS: 1
+      # libfabric complains about fork() as a result of using Python multiprocessing.
+      # We can work around it with RDMAV_FORK_SAFE=1 in libfabric < 1.13 and with
+      # FI_EFA_FORK_SAFE=1 in more recent versions.
+      RDMAV_FORK_SAFE: 1
 
     steps:
       - uses: actions/checkout@v3
diff --git a/tools/ci/gha-script.sh b/tools/ci/gha-script.sh
index 1f1c3a1eb..9de84f3e5 100755
--- a/tools/ci/gha-script.sh
+++ b/tools/ci/gha-script.sh
@@ -8,7 +8,7 @@ args=" "
 if [[ $MPI == 'y' ]]; then
   args="${args} --mpi "
 fi
-  
+
 # Check for event-based
 if [[ $EVENT == 'y' ]]; then
   args="${args} --event "

From eb0c8e497c7161d078854f82150b896c57b564dc Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 16 Feb 2023 17:04:49 -0600
Subject: [PATCH 1596/2654] Move Filter::create<T> implementation to filter.h

---
 include/openmc/tallies/filter.h | 19 +++++++++++++++++++
 src/tallies/filter.cpp          | 15 ---------------
 2 files changed, 19 insertions(+), 15 deletions(-)

diff --git a/include/openmc/tallies/filter.h b/include/openmc/tallies/filter.h
index 47b4c8a94..8a17ee7ea 100644
--- a/include/openmc/tallies/filter.h
+++ b/include/openmc/tallies/filter.h
@@ -157,5 +157,24 @@ extern vector<unique_ptr<Filter>> tally_filters;
 //! Make sure index corresponds to a valid filter
 int verify_filter(int32_t index);
 
+//==============================================================================
+// Filter implementation
+//==============================================================================
+
+template<typename T>
+T* Filter::create(int32_t id)
+{
+  static_assert(std::is_base_of<Filter, T>::value,
+    "Type specified is not derived from openmc::Filter");
+  // Create filter and add to filters vector
+  auto filter = make_unique<T>();
+  auto ptr_out = filter.get();
+  model::tally_filters.emplace_back(std::move(filter));
+  // Assign ID
+  model::tally_filters.back()->set_id(id);
+
+  return ptr_out;
+}
+
 } // namespace openmc
 #endif // OPENMC_TALLIES_FILTER_H
diff --git a/src/tallies/filter.cpp b/src/tallies/filter.cpp
index c00d4fd43..5e8204b2a 100644
--- a/src/tallies/filter.cpp
+++ b/src/tallies/filter.cpp
@@ -71,21 +71,6 @@ Filter::~Filter()
   model::filter_map.erase(id_);
 }
 
-template<typename T>
-T* Filter::create(int32_t id)
-{
-  static_assert(std::is_base_of<Filter, T>::value,
-    "Type specified is not derived from openmc::Filter");
-  // Create filter and add to filters vector
-  auto filter = make_unique<T>();
-  auto ptr_out = filter.get();
-  model::tally_filters.emplace_back(std::move(filter));
-  // Assign ID
-  model::tally_filters.back()->set_id(id);
-
-  return ptr_out;
-}
-
 Filter* Filter::create(pugi::xml_node node)
 {
   // Copy filter id

From 14af9de1e2b56b2192bd295072ef54d2ff020e02 Mon Sep 17 00:00:00 2001
From: aprilnovak <novak@berkeley.edu>
Date: Fri, 17 Feb 2023 19:16:15 -0600
Subject: [PATCH 1597/2654] Use more generalized error message. Refs #2394

---
 src/dagmc.cpp | 6 +++---
 1 file changed, 3 insertions(+), 3 deletions(-)

diff --git a/src/dagmc.cpp b/src/dagmc.cpp
index f21d5d0a9..154200f3f 100644
--- a/src/dagmc.cpp
+++ b/src/dagmc.cpp
@@ -182,11 +182,11 @@ void DAGUniverse::init_geometry()
       model::cell_map[c->id_] = model::cells.size();
     } else {
       warning(fmt::format("DAGMC Cell IDs: {}", dagmc_ids_for_dim(3)));
-      fatal_error(fmt::format("Cell ID {} exists in both DAGMC Universe {} "
-                              "and the CSG geometry. Setting auto_geom_ids "
+      fatal_error(fmt::format("DAGMC Universe {} contains cell ID {}, which "
+                              "already exists in the geometry. Setting auto_geom_ids "
                               "to True when initiating the DAGMC Universe may "
                               "resolve this issue",
-        c->id_, this->id_));
+        this->id_, c->id_));
     }
 
     // --- Materials ---

From 5a6162754948b0fc2065c76869c04eb26989177d Mon Sep 17 00:00:00 2001
From: April Novak <novak@berkeley.edu>
Date: Sat, 18 Feb 2023 17:18:53 -0800
Subject: [PATCH 1598/2654] Apply suggestions from code review

Co-authored-by: Patrick Shriwise <pshriwise@gmail.com>
---
 src/dagmc.cpp | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/src/dagmc.cpp b/src/dagmc.cpp
index 154200f3f..01ce8ef11 100644
--- a/src/dagmc.cpp
+++ b/src/dagmc.cpp
@@ -182,8 +182,8 @@ void DAGUniverse::init_geometry()
       model::cell_map[c->id_] = model::cells.size();
     } else {
       warning(fmt::format("DAGMC Cell IDs: {}", dagmc_ids_for_dim(3)));
-      fatal_error(fmt::format("DAGMC Universe {} contains cell ID {}, which "
-                              "already exists in the geometry. Setting auto_geom_ids "
+      fatal_error(fmt::format("DAGMC Universe {} contains a cell with ID {}, which "
+                              "already exists elsewhere in the geometry. Setting auto_geom_ids "
                               "to True when initiating the DAGMC Universe may "
                               "resolve this issue",
         this->id_, c->id_));

From b8c7c7644422a7bd8b83cb096c3b50c4ef97ce00 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Tue, 21 Feb 2023 00:42:27 -0600
Subject: [PATCH 1599/2654] Apply suggestions from @paulromano

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 src/state_point.cpp                               | 2 +-
 tests/regression_tests/statepoint_restart/test.py | 6 ++----
 2 files changed, 3 insertions(+), 5 deletions(-)

diff --git a/src/state_point.cpp b/src/state_point.cpp
index 23538da59..dfd3d381b 100644
--- a/src/state_point.cpp
+++ b/src/state_point.cpp
@@ -405,7 +405,7 @@ void load_state_point()
 
   if (simulation::restart_batch >= settings::n_max_batches) {
     fatal_error(fmt::format(
-      "The number of batches specified for simiulation ({}) is smaller"
+      "The number of batches specified for simulation ({}) is smaller"
       " than the number of batches in the restart statepoint file ({})",
       settings::n_max_batches, simulation::restart_batch));
   }
diff --git a/tests/regression_tests/statepoint_restart/test.py b/tests/regression_tests/statepoint_restart/test.py
index 9ab528e61..35df4f07d 100644
--- a/tests/regression_tests/statepoint_restart/test.py
+++ b/tests/regression_tests/statepoint_restart/test.py
@@ -3,13 +3,12 @@ import os
 from pathlib import Path
 
 import openmc
+import pytest
 
 from tests.testing_harness import TestHarness
 from tests.regression_tests import config
 from tests import cdtemp
 
-import pytest
-
 class StatepointRestartTestHarness(TestHarness):
     def __init__(self, final_sp, restart_sp):
         super().__init__(final_sp)
@@ -65,8 +64,7 @@ def test_statepoint_restart():
 
 
 def test_batch_check(request):
-    xmls = glob.glob('*.xml')
-    xmls = [request.fspath.dirpath() / Path(f) for f in xmls]
+    xmls = list(request.path.parent.glob('*.xml'))
 
     with cdtemp(xmls):
         model = openmc.Model.from_xml()

From 1b68e61a3edd3290d587c2dcb9d752523599c452 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Tue, 21 Feb 2023 00:47:47 -0600
Subject: [PATCH 1600/2654] explicit instance check

---
 openmc/executor.py | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/openmc/executor.py b/openmc/executor.py
index 758604c91..aacc48b3f 100644
--- a/openmc/executor.py
+++ b/openmc/executor.py
@@ -1,9 +1,9 @@
 from collections.abc import Iterable
 from numbers import Integral
+import os
 import subprocess
 
 import openmc
-from openmc.checkvalue import PathLike
 from .plots import _get_plot_image
 
 
@@ -74,7 +74,7 @@ def _process_CLI_arguments(volume=False, geometry_debug=False, particles=None,
         if event_based:
             args.append('-e')
 
-    if isinstance(restart_file, PathLike.__args__):
+    if isinstance(restart_file, (str, os.PathLike)):
         args += ['-r', str(restart_file)]
 
     if tracks:

From 0aa36836b3a73818fb9d29b4a8ac13150dd6df5b Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Tue, 21 Feb 2023 00:48:23 -0600
Subject: [PATCH 1601/2654] Updating globs

---
 tests/regression_tests/statepoint_restart/test.py | 5 ++---
 1 file changed, 2 insertions(+), 3 deletions(-)

diff --git a/tests/regression_tests/statepoint_restart/test.py b/tests/regression_tests/statepoint_restart/test.py
index 35df4f07d..2f3a6ce88 100644
--- a/tests/regression_tests/statepoint_restart/test.py
+++ b/tests/regression_tests/statepoint_restart/test.py
@@ -1,4 +1,3 @@
-import glob
 import os
 from pathlib import Path
 
@@ -44,7 +43,7 @@ class StatepointRestartTestHarness(TestHarness):
 
     def _run_openmc_restart(self):
         # Get the name of the statepoint file.
-        statepoint = glob.glob(os.path.join(os.getcwd(), self._restart_sp))
+        statepoint = list(Path(os.getcwd()).glob(self._restart_sp))
         assert len(statepoint) == 1
         statepoint = statepoint[0]
 
@@ -83,4 +82,4 @@ def test_batch_check(request):
         sp_file = model.run(restart_file=sp_file)
 
         sp = openmc.StatePoint(sp_file)
-        assert sp.n_batches == 15
\ No newline at end of file
+        assert sp.n_batches == 15

From 0419367815a3f552ccb1b994f7da2d8ecffc15d3 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Tue, 21 Feb 2023 07:28:32 -0600
Subject: [PATCH 1602/2654] Update
 tests/regression_tests/statepoint_restart/test.py

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 tests/regression_tests/statepoint_restart/test.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/tests/regression_tests/statepoint_restart/test.py b/tests/regression_tests/statepoint_restart/test.py
index 2f3a6ce88..8acd0e88b 100644
--- a/tests/regression_tests/statepoint_restart/test.py
+++ b/tests/regression_tests/statepoint_restart/test.py
@@ -43,7 +43,7 @@ class StatepointRestartTestHarness(TestHarness):
 
     def _run_openmc_restart(self):
         # Get the name of the statepoint file.
-        statepoint = list(Path(os.getcwd()).glob(self._restart_sp))
+        statepoint = list(Path.cwd().glob(self._restart_sp))
         assert len(statepoint) == 1
         statepoint = statepoint[0]
 

From 55179b5a46accdf8b8dfcd8ce1ed3c0f454a92f4 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Tue, 21 Feb 2023 07:31:53 -0600
Subject: [PATCH 1603/2654] Removing os module from restart test

---
 tests/regression_tests/statepoint_restart/test.py | 1 -
 1 file changed, 1 deletion(-)

diff --git a/tests/regression_tests/statepoint_restart/test.py b/tests/regression_tests/statepoint_restart/test.py
index 8acd0e88b..1e98bc480 100644
--- a/tests/regression_tests/statepoint_restart/test.py
+++ b/tests/regression_tests/statepoint_restart/test.py
@@ -1,4 +1,3 @@
-import os
 from pathlib import Path
 
 import openmc

From f961fc90c2bc5c0565be5179a6a4c789cc553729 Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?R=C3=A9mi=20Delaporte-Mathurin?=
 <40028739+RemDelaporteMathurin@users.noreply.github.com>
Date: Tue, 21 Feb 2023 17:42:06 -0500
Subject: [PATCH 1604/2654] [skip ci] Modified the XML specs

---
 docs/source/io_formats/tallies.rst | 3 +++
 1 file changed, 3 insertions(+)

diff --git a/docs/source/io_formats/tallies.rst b/docs/source/io_formats/tallies.rst
index 8594bb11c..897941ad4 100644
--- a/docs/source/io_formats/tallies.rst
+++ b/docs/source/io_formats/tallies.rst
@@ -351,6 +351,9 @@ attributes/sub-elements:
   :theta_grid:
     The mesh divisions along the theta-axis. (For spherical mesh only.)
 
+  :origin:
+    The origin in cartesian coordinates. (For cylindrical and spherical meshes only.)
+
   :library:
     The mesh library used to represent an unstructured mesh. This can be either
     "moab" or "libmesh". (For unstructured mesh only.)

From 5556b0cedc0210ebc4913c6f6866cbf57ca4b4f4 Mon Sep 17 00:00:00 2001
From: josh <josh@radiantnuclear.com>
Date: Wed, 22 Feb 2023 18:24:50 +0000
Subject: [PATCH 1605/2654] order nuclides by increasing mass number

---
 openmc/data/data.py | 2 +-
 openmc/element.py   | 8 ++++----
 2 files changed, 5 insertions(+), 5 deletions(-)

diff --git a/openmc/data/data.py b/openmc/data/data.py
index 55bfb4f09..7d82a3c1f 100644
--- a/openmc/data/data.py
+++ b/openmc/data/data.py
@@ -489,7 +489,7 @@ def isotopes(element):
 
     # Get the nuclides present in nature
     result = []
-    for kv in sorted(NATURAL_ABUNDANCE.items()):
+    for kv in NATURAL_ABUNDANCE.items():
         if re.match(r'{}\d+'.format(element), kv[0]):
             result.append(kv)
 
diff --git a/openmc/element.py b/openmc/element.py
index 729266cc2..f1a5d31d3 100644
--- a/openmc/element.py
+++ b/openmc/element.py
@@ -4,7 +4,7 @@ from xml.etree import ElementTree as ET
 
 import openmc.checkvalue as cv
 import openmc
-from openmc.data import NATURAL_ABUNDANCE, atomic_mass, \
+from openmc.data import NATURAL_ABUNDANCE, atomic_mass, zam, \
     isotopes as natural_isotopes
 
 
@@ -147,8 +147,8 @@ class Element(str):
             # and sort to avoid different ordering between Python 2 and 3.
             mutual_nuclides = natural_nuclides.intersection(library_nuclides)
             absent_nuclides = natural_nuclides.difference(mutual_nuclides)
-            mutual_nuclides = sorted(list(mutual_nuclides))
-            absent_nuclides = sorted(list(absent_nuclides))
+            mutual_nuclides = sorted(mutual_nuclides, key=zam)
+            absent_nuclides = sorted(absent_nuclides, key=zam)
 
             # If all naturally occurring isotopes are present in the library,
             # add them based on their abundance
@@ -195,7 +195,7 @@ class Element(str):
         # If a cross_section library is not present, expand the element into
         # its natural nuclides
         else:
-            for nuclide in sorted(list(natural_nuclides)):
+            for nuclide in sorted(natural_nuclides, key=zam):
                 abundances[nuclide] = NATURAL_ABUNDANCE[nuclide]
 
         # Modify mole fractions if enrichment provided

From 7becabcde4b2900ed134d1051a362411aca03dd2 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <drshimwell@gmail.com>
Date: Thu, 23 Feb 2023 21:16:52 +0000
Subject: [PATCH 1606/2654] cm^3 instead of cm3

---
 openmc/material.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/material.py b/openmc/material.py
index 28d38cb90..bdc25b280 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -144,7 +144,7 @@ class Material(IDManagerMixin):
         string += f' [{self._density_units}]\n'
 
         string += '{: <16}=\t{}'.format('\tVolume', self._volume)
-        string += ' [cm3]\n'
+        string += ' [cm^3]\n'
 
         string += '{: <16}\n'.format('\tS(a,b) Tables')
 

From a270d4c01a9ed16d99b4fa98712469f7ba906959 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 23 Feb 2023 23:39:03 -0600
Subject: [PATCH 1607/2654] Using vertices property where possible. Correcting
 volume ordering in normalization

---
 openmc/mesh.py | 25 ++++++-------------------
 1 file changed, 6 insertions(+), 19 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 904d4a2ad..5294b2dd6 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -266,7 +266,7 @@ class StructuredMesh(MeshBase):
             datasets_out.append(dataset)
 
             if volume_normalization:
-                dataset /= self.volumes.flatten()
+                dataset /= self.volumes.T.flatten()
 
             dataset_array = vtk.vtkDoubleArray()
             dataset_array.SetName(label)
@@ -1012,7 +1012,7 @@ class RectilinearMesh(StructuredMesh):
             the VTK object
         """
         # create points
-        pts_cartesian = np.array([[x, y, z] for z in self.z_grid for y in self.y_grid for x in self.x_grid])
+        pts_cartesian = self.vertices.T.reshape(-1, 3)
 
         return super().write_data_to_vtk(
             points=pts_cartesian,
@@ -1303,14 +1303,8 @@ class CylindricalMesh(StructuredMesh):
             the VTK object
         """
         # create points
-        pts_cylindrical = np.array(
-            [
-                [r, phi, z]
-                for z in self.z_grid
-                for phi in self.phi_grid
-                for r in self.r_grid
-            ]
-        )
+        pts_cylindrical = self.vertices.T.reshape(-1, 3)
+
         pts_cartesian = np.copy(pts_cylindrical)
         r, phi = pts_cylindrical[:, 0], pts_cylindrical[:, 1]
         pts_cartesian[:, 0] = r * np.cos(phi)
@@ -1534,16 +1528,9 @@ class SphericalMesh(StructuredMesh):
         vtk.vtkStructuredGrid
             the VTK object
         """
-
         # create points
-        pts_spherical = np.array(
-            [
-                [r, theta, phi]
-                for phi in self.phi_grid
-                for theta in self.theta_grid
-                for r in self.r_grid
-            ]
-        )
+        pts_spherical = self.vertices.T.reshape(-1, 3)
+
         pts_cartesian = np.copy(pts_spherical)
         r, theta, phi = pts_spherical[:, 0], pts_spherical[:, 1], pts_spherical[:, 2]
         pts_cartesian[:, 0] = r * np.sin(phi) * np.cos(theta)

From 70b743e5edc2cd058fe0156a630b5ccedff7fcae Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 23 Feb 2023 23:59:46 -0600
Subject: [PATCH 1608/2654] Add test of volume normalization ordering

---
 tests/unit_tests/test_mesh_to_vtk.py | 15 ++++++++++++---
 1 file changed, 12 insertions(+), 3 deletions(-)

diff --git a/tests/unit_tests/test_mesh_to_vtk.py b/tests/unit_tests/test_mesh_to_vtk.py
index bc3633c8c..16bdcea05 100644
--- a/tests/unit_tests/test_mesh_to_vtk.py
+++ b/tests/unit_tests/test_mesh_to_vtk.py
@@ -34,7 +34,11 @@ def test_write_data_to_vtk(mesh, tmpdir):
     # BUILD
     filename = Path(tmpdir) / "out.vtk"
 
-    data = np.random.random(mesh.num_mesh_cells)
+    # use mesh element volumes as data to check volume-normalization ordering
+    # kji (i changing fastest) orering is expected for input data
+    # by using the volumes transposed as the data here, we can ensure the
+    # normalization is happening correctly
+    data = mesh.volumes.T
 
     # RUN
     mesh.write_data_to_vtk(filename=filename, datasets={"label1": data, "label2": data})
@@ -56,8 +60,13 @@ def test_write_data_to_vtk(mesh, tmpdir):
     assert array2.GetName() == "label2"
 
     # check size of datasets
-    assert nps.vtk_to_numpy(array1).size == data.size
-    assert nps.vtk_to_numpy(array2).size == data.size
+    data1 = nps.vtk_to_numpy(array1)
+    data2 = nps.vtk_to_numpy(array2)
+    assert data1.size == data.size
+    assert data2.size == data.size
+
+    assert all(data1 == data2)
+    assert all(data1 == 1.0)
 
 
 @pytest.mark.parametrize("mesh", [cylinder_mesh, regular_mesh, rectilinear_mesh, spherical_mesh])

From f0aa0ab3f248d26a3bb921e1ba6f84c3e9a6e4b9 Mon Sep 17 00:00:00 2001
From: aprilnovak <novak@berkeley.edu>
Date: Fri, 24 Feb 2023 12:10:52 -0600
Subject: [PATCH 1609/2654] Add default constructor for VolumeCalculation. Refs
 #2398

---
 include/openmc/volume_calc.h | 2 ++
 1 file changed, 2 insertions(+)

diff --git a/include/openmc/volume_calc.h b/include/openmc/volume_calc.h
index 2efd955f0..ff75b2b8b 100644
--- a/include/openmc/volume_calc.h
+++ b/include/openmc/volume_calc.h
@@ -35,6 +35,8 @@ public:
   // Constructors
   VolumeCalculation(pugi::xml_node node);
 
+  VolumeCalculation() {}
+
   // Methods
 
   //! \brief Stochastically determine the volume of a set of domains along with

From 9858114ed71aed8e49c8f4395e5e2e37ab957e84 Mon Sep 17 00:00:00 2001
From: April Novak <novak@berkeley.edu>
Date: Fri, 24 Feb 2023 11:53:40 -0800
Subject: [PATCH 1610/2654] Apply suggestions from code review

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 include/openmc/volume_calc.h | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/include/openmc/volume_calc.h b/include/openmc/volume_calc.h
index ff75b2b8b..2773a39fa 100644
--- a/include/openmc/volume_calc.h
+++ b/include/openmc/volume_calc.h
@@ -35,7 +35,7 @@ public:
   // Constructors
   VolumeCalculation(pugi::xml_node node);
 
-  VolumeCalculation() {}
+  VolumeCalculation() = default;
 
   // Methods
 

From 0d84c538181022f607ddceb898c132faac2568b8 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <drshimwell@gmail.com>
Date: Fri, 24 Feb 2023 22:05:00 +0000
Subject: [PATCH 1611/2654] review improvment, refactor to single line

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/material.py | 3 +--
 1 file changed, 1 insertion(+), 2 deletions(-)

diff --git a/openmc/material.py b/openmc/material.py
index bdc25b280..a1b3367a9 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -143,8 +143,7 @@ class Material(IDManagerMixin):
         string += '{: <16}=\t{}'.format('\tDensity', self._density)
         string += f' [{self._density_units}]\n'
 
-        string += '{: <16}=\t{}'.format('\tVolume', self._volume)
-        string += ' [cm^3]\n'
+        string += '{: <16}=\t{} [cm^3]\n'.format('\tVolume', self._volume)
 
         string += '{: <16}\n'.format('\tS(a,b) Tables')
 

From 2f9f500542fef29ddf5ec1b408e9fd1e10c37f03 Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Mon, 27 Feb 2023 16:10:27 -0500
Subject: [PATCH 1612/2654] removed check and always offset origin

---
 openmc/mesh.py | 14 ++++++--------
 1 file changed, 6 insertions(+), 8 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 06f024676..2c74c7bfa 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -1337,10 +1337,9 @@ class CylindricalMesh(StructuredMesh):
         pts_cartesian[:, 1] = r * np.sin(phi)
 
         # offset with origin
-        if any([coord != 0 for coord in self.origin]):
-            pts_cartesian[:, 0] = pts_cartesian[:, 0] + self.origin[0]
-            pts_cartesian[:, 1] = pts_cartesian[:, 1] + self.origin[1]
-            pts_cartesian[:, 2] = pts_cartesian[:, 2] + self.origin[2]
+        pts_cartesian[:, 0] += pts_cartesian[:, 0]
+        pts_cartesian[:, 1] += pts_cartesian[:, 1]
+        pts_cartesian[:, 2] += pts_cartesian[:, 2]
 
         return super().write_data_to_vtk(
             points=pts_cartesian,
@@ -1598,10 +1597,9 @@ class SphericalMesh(StructuredMesh):
         pts_cartesian[:, 2] = r * np.cos(phi)
 
         # offset with origin
-        if any([coord != 0 for coord in self.origin]):
-            pts_cartesian[:, 0] = pts_cartesian[:, 0] + self.origin[0]
-            pts_cartesian[:, 1] = pts_cartesian[:, 1] + self.origin[1]
-            pts_cartesian[:, 2] = pts_cartesian[:, 2] + self.origin[2]
+        pts_cartesian[:, 0] += self.origin[0]
+        pts_cartesian[:, 1] += self.origin[1]
+        pts_cartesian[:, 2] += self.origin[2]
 
         return super().write_data_to_vtk(
             points=pts_cartesian,

From c61e735a706b3bd251010ec8fa888cda30ebb596 Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Mon, 27 Feb 2023 16:10:55 -0500
Subject: [PATCH 1613/2654] empty_like instead of copy

---
 openmc/mesh.py | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 2c74c7bfa..9bed9200c 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -1331,7 +1331,7 @@ class CylindricalMesh(StructuredMesh):
                 for r in self.r_grid
             ]
         )
-        pts_cartesian = np.copy(pts_cylindrical)
+        pts_cartesian = np.empty_like(pts_cylindrical)
         r, phi = pts_cylindrical[:, 0], pts_cylindrical[:, 1]
         pts_cartesian[:, 0] = r * np.cos(phi)
         pts_cartesian[:, 1] = r * np.sin(phi)
@@ -1590,7 +1590,7 @@ class SphericalMesh(StructuredMesh):
                 for r in self.r_grid
             ]
         )
-        pts_cartesian = np.copy(pts_spherical)
+        pts_cartesian = np.empty_like(pts_spherical)
         r, theta, phi = pts_spherical[:, 0], pts_spherical[:, 1], pts_spherical[:, 2]
         pts_cartesian[:, 0] = r * np.sin(phi) * np.cos(theta)
         pts_cartesian[:, 1] = r * np.sin(phi) * np.sin(theta)

From 9ca6f1b65b469938b5bb067c1c6d9d11a21f3623 Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Mon, 27 Feb 2023 16:13:31 -0500
Subject: [PATCH 1614/2654] fixed docstrings for origin

---
 openmc/mesh.py | 10 ++++++----
 1 file changed, 6 insertions(+), 4 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 9bed9200c..db57a3a9e 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -1049,8 +1049,9 @@ class CylindricalMesh(StructuredMesh):
         The default value is [0, 2π], i.e. the full phi range.
     z_grid : numpy.ndarray
         1-D array of mesh boundary points along the z-axis.
-    origin : tuple
-        The (x,y,z) origin of the mesh in cartesian coordinates
+    origin : numpy.ndarray
+        1-D array of length 3 the (x,y,z) origin of the mesh in
+        cartesian coordinates
     indices : Iterable of tuple
         An iterable of mesh indices for each mesh element, e.g. [(1, 1, 1),
         (2, 1, 1), ...]
@@ -1377,8 +1378,9 @@ class SphericalMesh(StructuredMesh):
     phi_grid : numpy.ndarray
         1-D array of mesh boundary points along the phi-axis in radians.
         The default value is [0, 2π], i.e. the full phi range.
-    origin : tuple
-        The (x,y,z) origin of the mesh in cartesian coordinates
+    origin : numpy.ndarray
+        1-D array of length 3 the (x,y,z) origin of the mesh in
+        cartesian coordinates
     indices : Iterable of tuple
         An iterable of mesh indices for each mesh element, e.g. [(1, 1, 1),
         (2, 1, 1), ...]

From 972e1c12ec4cc2001202409bf8227454f8c83abb Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?R=C3=A9mi=20Delaporte-Mathurin?=
 <40028739+RemDelaporteMathurin@users.noreply.github.com>
Date: Mon, 27 Feb 2023 16:22:10 -0500
Subject: [PATCH 1615/2654] [skip ci] Minor refactoring

Co-authored-by: Ethan Peterson <ethan.peterson@mit.edu>
---
 openmc/mesh.py | 11 +++--------
 1 file changed, 3 insertions(+), 8 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index db57a3a9e..a7c2eb172 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -1594,14 +1594,9 @@ class SphericalMesh(StructuredMesh):
         )
         pts_cartesian = np.empty_like(pts_spherical)
         r, theta, phi = pts_spherical[:, 0], pts_spherical[:, 1], pts_spherical[:, 2]
-        pts_cartesian[:, 0] = r * np.sin(phi) * np.cos(theta)
-        pts_cartesian[:, 1] = r * np.sin(phi) * np.sin(theta)
-        pts_cartesian[:, 2] = r * np.cos(phi)
-
-        # offset with origin
-        pts_cartesian[:, 0] += self.origin[0]
-        pts_cartesian[:, 1] += self.origin[1]
-        pts_cartesian[:, 2] += self.origin[2]
+        pts_cartesian[:, 0] = r * np.sin(phi) * np.cos(theta) + self.origin[0]
+        pts_cartesian[:, 1] = r * np.sin(phi) * np.sin(theta) + self.origin[1]
+        pts_cartesian[:, 2] = r * np.cos(phi) + self.origin[2]
 
         return super().write_data_to_vtk(
             points=pts_cartesian,

From 308be3f1eac95143eec2f3f40c36adb6dfa351c0 Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?R=C3=A9mi=20Delaporte-Mathurin?=
 <40028739+RemDelaporteMathurin@users.noreply.github.com>
Date: Mon, 27 Feb 2023 16:23:45 -0500
Subject: [PATCH 1616/2654] Update openmc/mesh.py

Co-authored-by: Ethan Peterson <ethan.peterson@mit.edu>
---
 openmc/mesh.py | 12 ++++--------
 1 file changed, 4 insertions(+), 8 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index a7c2eb172..039f302e9 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -1334,14 +1334,10 @@ class CylindricalMesh(StructuredMesh):
         )
         pts_cartesian = np.empty_like(pts_cylindrical)
         r, phi = pts_cylindrical[:, 0], pts_cylindrical[:, 1]
-        pts_cartesian[:, 0] = r * np.cos(phi)
-        pts_cartesian[:, 1] = r * np.sin(phi)
-
-        # offset with origin
-        pts_cartesian[:, 0] += pts_cartesian[:, 0]
-        pts_cartesian[:, 1] += pts_cartesian[:, 1]
-        pts_cartesian[:, 2] += pts_cartesian[:, 2]
-
+        pts_cartesian[:, 0] = r * np.cos(phi) + self.origin[0]
+        pts_cartesian[:, 1] = r * np.sin(phi) + self.origin[1]
+        pts_cartesian[:, 2] += self.origin[2]
+        
         return super().write_data_to_vtk(
             points=pts_cartesian,
             filename=filename,

From c71c13496356a0e65cc1ac284608a31845f0f934 Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Mon, 27 Feb 2023 16:32:05 -0500
Subject: [PATCH 1617/2654] added grids in statepoint specs

---
 docs/source/io_formats/statepoint.rst | 6 ++++++
 1 file changed, 6 insertions(+)

diff --git a/docs/source/io_formats/statepoint.rst b/docs/source/io_formats/statepoint.rst
index 9a08eed73..c0db5ea92 100644
--- a/docs/source/io_formats/statepoint.rst
+++ b/docs/source/io_formats/statepoint.rst
@@ -78,6 +78,12 @@ The current version of the statepoint file format is 17.0.
              of mesh.
            - **width** (*double[]*) -- Width of each mesh cell in each
              dimension.
+           - **Cylindrical & Spherical Mesh Only:**
+              - **r_grid** (*double[]*) -- The mesh divisions along the r-axis.
+              - **phi_grid** (*double[]*) -- The mesh divisions along the phi-axis.
+              - **origin** (*double[]*) -- The origin in cartesian coordinates.
+           - **Spherical Mesh Only:**
+              - **theta_grid** (*double[]*) -- The mesh divisions along the theta-axis.
            - **Unstructured Mesh Only:**
               - **filename** (*char[]*) -- Name of the mesh file.
               - **library** (*char[]*) -- Mesh library used to represent the

From 728f48c2aef77fadcabef52fdaae33de0dd9323a Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Wed, 1 Mar 2023 00:33:24 -0600
Subject: [PATCH 1618/2654] Adding another test that uses VTK to gather the
 data directly.

Co-authored-by: Jonathan Shimwell <jonathan.shimwell@firstlightfusion.com>
---
 tests/unit_tests/test_mesh_to_vtk.py | 58 ++++++++++++++++++++++++++++
 1 file changed, 58 insertions(+)

diff --git a/tests/unit_tests/test_mesh_to_vtk.py b/tests/unit_tests/test_mesh_to_vtk.py
index 16bdcea05..a9dcd7243 100644
--- a/tests/unit_tests/test_mesh_to_vtk.py
+++ b/tests/unit_tests/test_mesh_to_vtk.py
@@ -91,3 +91,61 @@ def test_write_data_to_vtk_size_mismatch(mesh):
     )
     with pytest.raises(ValueError, match=expected_error_msg):
         mesh.write_data_to_vtk(filename="out.vtk", datasets={"label": data})
+
+def test_write_data_to_vtk_round_trip(run_in_tmpdir):
+    cmesh = openmc.CylindricalMesh()
+    cmesh.r_grid = (0.0, 1.0, 2.0)
+    cmesh.z_grid = (0.0, 2.0, 4.0, 5.0)
+    cmesh.phi_grid = (0.0, 3.0, 6.0)
+
+    smesh = openmc.SphericalMesh()
+    smesh.r_grid = (0.0, 1.0, 2.0)
+    smesh.theta_grid = (0.0, 2.0, 4.0, 5.0)
+    smesh.phi_grid = (0.0, 3.0, 6.0)
+
+    rmesh = openmc.RegularMesh()
+    rmesh.lower_left = (0.0, 0.0, 0.0)
+    rmesh.upper_right = (1.0, 3.0, 5.0)
+    rmesh.dimension = (2, 1, 6)
+
+    for mesh in [smesh, cmesh, rmesh]:
+
+        filename = "mesh.vtk"
+        data = np.array([1.0] * 12)  # there are 12 voxels in each mesh
+        mesh.write_data_to_vtk(
+            filename=filename,
+            datasets={"normalized": data},
+            volume_normalization=True
+        )
+
+        reader = vtk.vtkStructuredGridReader()
+        reader.SetFileName(filename)
+        reader.ReadAllFieldsOn()
+        reader.Update()
+
+        cell_data = reader.GetOutput().GetCellData()
+        uniform_array = cell_data.GetArray("normalized")
+        num_tuples = uniform_array.GetNumberOfTuples()
+        vtk_values = [uniform_array.GetValue(i) for i in range(num_tuples)]
+
+        # checks that the vtk cell values are equal to the data / mesh volumes
+        assert np.allclose(vtk_values, data / mesh.volumes.T.flatten())
+
+        mesh.write_data_to_vtk(
+            filename=filename,
+            datasets={"not_normalized": data},
+            volume_normalization=False,
+        )
+
+        reader = vtk.vtkStructuredGridReader()
+        reader.SetFileName(filename)
+        reader.ReadAllFieldsOn()
+        reader.Update()
+
+        cell_data = reader.GetOutput().GetCellData()
+        uniform_array = cell_data.GetArray("not_normalized")
+        num_tuples = uniform_array.GetNumberOfTuples()
+        vtk_values = [uniform_array.GetValue(i) for i in range(num_tuples)]
+
+        # checks that the vtk cell values are equal to the data
+        assert np.array_equal(vtk_values, data)

From f34b37bb4f6aa702107b63029b69ee5a0bed9fbd Mon Sep 17 00:00:00 2001
From: shimwell <mail@jshimwell.com>
Date: Thu, 2 Mar 2023 22:07:49 +0000
Subject: [PATCH 1619/2654] added test for element and nuclide plot

---
 tests/unit_tests/test_plotter.py | 18 +++++++++++++++++-
 1 file changed, 17 insertions(+), 1 deletion(-)

diff --git a/tests/unit_tests/test_plotter.py b/tests/unit_tests/test_plotter.py
index a3f1ff666..15526351a 100644
--- a/tests/unit_tests/test_plotter.py
+++ b/tests/unit_tests/test_plotter.py
@@ -1,5 +1,6 @@
-import openmc
 import numpy as np
+import openmc
+import pytest
 
 
 def test_calculate_cexs_elem_mat_sab():
@@ -25,3 +26,18 @@ def test_calculate_cexs_elem_mat_sab():
     assert len(energy_grid) > 1
     assert len(data) == 1
     assert len(data[0]) == len(energy_grid)
+
+
+@pytest.mark.parametrize("this, data_type", [("Li", "element"), ("Li6", "nuclide")])
+def test_calculate_cexs_with_element(this, data_type):
+
+    # single type (reaction)
+    energy_grid, data = openmc.plotter.calculate_cexs(
+        this=this, data_type=data_type, types=[205]
+    )
+
+    assert isinstance(energy_grid, np.ndarray)
+    assert isinstance(data, np.ndarray)
+    assert len(energy_grid) > 1
+    assert len(data) == 1
+    assert len(data[0]) == len(energy_grid)

From 33f9ab708384d9ee20afb1f9572a2d6941cc76df Mon Sep 17 00:00:00 2001
From: shimwell <mail@jshimwell.com>
Date: Thu, 2 Mar 2023 22:14:14 +0000
Subject: [PATCH 1620/2654] testing muliple reactions for elements+nuclides

---
 tests/unit_tests/test_plotter.py | 14 ++++++++++++++
 1 file changed, 14 insertions(+)

diff --git a/tests/unit_tests/test_plotter.py b/tests/unit_tests/test_plotter.py
index 15526351a..be420c3e8 100644
--- a/tests/unit_tests/test_plotter.py
+++ b/tests/unit_tests/test_plotter.py
@@ -41,3 +41,17 @@ def test_calculate_cexs_with_element(this, data_type):
     assert len(energy_grid) > 1
     assert len(data) == 1
     assert len(data[0]) == len(energy_grid)
+
+    # two types (reaction)
+    energy_grid, data = openmc.plotter.calculate_cexs(
+        this=this, data_type=data_type, types=[2, "elastic"]
+    )
+
+    assert isinstance(energy_grid, np.ndarray)
+    assert isinstance(data, np.ndarray)
+    assert len(energy_grid) > 1
+    assert len(data) == 2
+    assert len(data[0]) == len(energy_grid)
+    assert len(data[0]) == len(energy_grid)
+    # reactions are both the same MT number 2 is elastic
+    assert np.array_equal(data[0], data[1])

From 7f16f46beddff4d6090a154dc5270e35d31ce5a3 Mon Sep 17 00:00:00 2001
From: shimwell <mail@jshimwell.com>
Date: Thu, 2 Mar 2023 23:52:00 +0000
Subject: [PATCH 1621/2654] material and plot_xs tests for plotter.py

---
 tests/unit_tests/test_plotter.py | 46 ++++++++++++++++++++++++++------
 1 file changed, 38 insertions(+), 8 deletions(-)

diff --git a/tests/unit_tests/test_plotter.py b/tests/unit_tests/test_plotter.py
index be420c3e8..081fb520d 100644
--- a/tests/unit_tests/test_plotter.py
+++ b/tests/unit_tests/test_plotter.py
@@ -1,22 +1,27 @@
 import numpy as np
 import openmc
 import pytest
+from matplotlib.figure import Figure
 
 
-def test_calculate_cexs_elem_mat_sab():
-    """Checks that sab cross sections are included in the
-    _calculate_cexs_elem_mat method and have the correct shape"""
-
+@pytest.fixture(scope="module")
+def test_mat():
     mat_1 = openmc.Material()
     mat_1.add_element("H", 4.0, "ao")
     mat_1.add_element("O", 4.0, "ao")
     mat_1.add_element("C", 4.0, "ao")
+    return mat_1
 
-    mat_1.add_s_alpha_beta("c_C6H6")
-    mat_1.set_density("g/cm3", 0.865)
+
+def test_calculate_cexs_elem_mat_sab(test_mat):
+    """Checks that sab cross sections are included in the
+    _calculate_cexs_elem_mat method and have the correct shape"""
+
+    test_mat.add_s_alpha_beta("c_C6H6")
+    test_mat.set_density("g/cm3", 0.865)
 
     energy_grid, data = openmc.plotter._calculate_cexs_elem_mat(
-        mat_1,
+        test_mat,
         ["inelastic"],
         sab_name="c_C6H6",
     )
@@ -28,7 +33,7 @@ def test_calculate_cexs_elem_mat_sab():
     assert len(data[0]) == len(energy_grid)
 
 
-@pytest.mark.parametrize("this, data_type", [("Li", "element"), ("Li6", "nuclide")])
+@pytest.mark.parametrize("this,data_type", [("Li", "element"), ("Li6", "nuclide")])
 def test_calculate_cexs_with_element(this, data_type):
 
     # single type (reaction)
@@ -55,3 +60,28 @@ def test_calculate_cexs_with_element(this, data_type):
     assert len(data[0]) == len(energy_grid)
     # reactions are both the same MT number 2 is elastic
     assert np.array_equal(data[0], data[1])
+
+
+def test_calculate_cexs_with_materials(test_mat):
+    energy_grid, data = openmc.plotter.calculate_cexs(
+        this=test_mat, types=[205], data_type="material"
+    )
+
+    assert isinstance(energy_grid, np.ndarray)
+    assert isinstance(data, np.ndarray)
+    assert len(energy_grid) > 1
+    assert len(data) == 1
+    assert len(data[0]) == len(energy_grid)
+
+
+@pytest.mark.parametrize(("this,data_type"), [("Be", "element"), ("Be9", "nuclide")])
+def test_plot_xs(this, data_type):
+    assert isinstance(
+        openmc.plotter.plot_xs(this, data_type=data_type, types=["total"]), Figure
+    )
+
+
+def test_plot_xs_mat(test_mat):
+    assert isinstance(
+        openmc.plotter.plot_xs(test_mat, data_type="material", types=["total"]), Figure
+    )

From c20f115cb936eb0b95cd72a87580a3570b93daa2 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 3 Mar 2023 11:02:48 -0600
Subject: [PATCH 1622/2654] Change exception in decay source processing to
 warning

---
 openmc/data/decay.py       |  4 ++--
 openmc/stats/univariate.py | 26 ++++++++++++++------------
 2 files changed, 16 insertions(+), 14 deletions(-)

diff --git a/openmc/data/decay.py b/openmc/data/decay.py
index d00242438..57327c07f 100644
--- a/openmc/data/decay.py
+++ b/openmc/data/decay.py
@@ -558,9 +558,9 @@ class Decay(EqualityMixin):
                     raise NotImplementedError("Multiple interpolation regions: {name}, {particle}")
                 interpolation = INTERPOLATION_SCHEME[f.interpolation[0]]
                 if interpolation not in ('histogram', 'linear-linear'):
-                    raise NotImplementedError(
+                    warn(
                         f"Continuous spectra with {interpolation} interpolation "
-                        f"({name}, {particle}) not supported")
+                        f"({name}, {particle}) encountered.")
 
                 intensity = spectra['continuous_normalization'].n
                 rates = decay_constant * intensity * f.y
diff --git a/openmc/stats/univariate.py b/openmc/stats/univariate.py
index 64627a4e1..240f13d14 100644
--- a/openmc/stats/univariate.py
+++ b/openmc/stats/univariate.py
@@ -834,10 +834,6 @@ class Tabular(Univariate):
         self._interpolation = interpolation
 
     def cdf(self):
-        if not self.interpolation in ('histogram', 'linear-linear'):
-            raise NotImplementedError('Can only generate CDFs for tabular '
-                                      'distributions using histogram or '
-                                      'linear-linear interpolation')
         c = np.zeros_like(self.x)
         x = self.x
         p = self.p
@@ -846,15 +842,16 @@ class Tabular(Univariate):
             c[1:] = p[:-1] * np.diff(x)
         elif self.interpolation == 'linear-linear':
             c[1:] = 0.5 * (p[:-1] + p[1:]) * np.diff(x)
+        else:
+            raise NotImplementedError('Can only generate CDFs for tabular '
+                                      'distributions using histogram or '
+                                      'linear-linear interpolation')
+
 
         return np.cumsum(c)
 
     def mean(self):
         """Compute the mean of the tabular distribution"""
-        if not self.interpolation in ('histogram', 'linear-linear'):
-            raise NotImplementedError('Can only compute mean for tabular '
-                                      'distributions using histogram '
-                                      'or linear-linear interpolation.')
         if self.interpolation == 'linear-linear':
             mean = 0.0
             for i in range(1, len(self.x)):
@@ -875,6 +872,10 @@ class Tabular(Univariate):
             x_r = self.x[1:]
             p_l = self.p[:-1]
             mean = (0.5 * (x_l + x_r) * (x_r - x_l) * p_l).sum()
+        else:
+            raise NotImplementedError('Can only compute mean for tabular '
+                                      'distributions using histogram '
+                                      'or linear-linear interpolation.')
 
         # Normalize for when integral of distribution is not 1
         mean /= self.integral()
@@ -886,10 +887,6 @@ class Tabular(Univariate):
         self.p /= self.cdf().max()
 
     def sample(self, n_samples=1, seed=None):
-        if not self.interpolation in ('histogram', 'linear-linear'):
-            raise NotImplementedError('Can only sample tabular distributions '
-                                      'using histogram or '
-                                      'linear-linear interpolation')
         np.random.seed(seed)
         xi = np.random.rand(n_samples)
 
@@ -942,6 +939,11 @@ class Tabular(Univariate):
             m[non_zero] = x_i[non_zero] + (np.sqrt(quad) - p_i[non_zero]) / m[non_zero]
             samples_out = m
 
+        else:
+            raise NotImplementedError('Can only sample tabular distributions '
+                                      'using histogram or '
+                                      'linear-linear interpolation')
+
         assert all(samples_out < self.x[-1])
         return samples_out
 

From c1232a83e0a259dc74188ce137f30bfff09b3177 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 3 Mar 2023 15:03:22 -0600
Subject: [PATCH 1623/2654] Add volume arguments on several methods in Material
 class

---
 openmc/material.py                | 46 ++++++++++++++++++++++++-------
 tests/unit_tests/test_material.py | 16 +++++++++--
 2 files changed, 50 insertions(+), 12 deletions(-)

diff --git a/openmc/material.py b/openmc/material.py
index a1b3367a9..4004b77d9 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -1029,7 +1029,8 @@ class Material(IDManagerMixin):
 
         return nuclides
 
-    def get_activity(self, units: str = 'Bq/cm3', by_nuclide: bool = False):
+    def get_activity(self, units: str = 'Bq/cm3', by_nuclide: bool = False,
+                     volume: Optional[float] = None):
         """Returns the activity of the material or for each nuclide in the
         material in units of [Bq], [Bq/g] or [Bq/cm3].
 
@@ -1044,6 +1045,10 @@ class Material(IDManagerMixin):
         by_nuclide : bool
             Specifies if the activity should be returned for the material as a
             whole or per nuclide. Default is False.
+        volume : float, optional
+            Volume of the material if not assigned directly
+
+            .. versionadded:: 0.13.3
 
         Returns
         -------
@@ -1057,7 +1062,7 @@ class Material(IDManagerMixin):
         cv.check_type('by_nuclide', by_nuclide, bool)
 
         if units == 'Bq':
-            multiplier = self.volume
+            multiplier = volume if volume is not None else self.volume
         elif units == 'Bq/cm3':
             multiplier = 1
         elif units == 'Bq/g':
@@ -1070,7 +1075,8 @@ class Material(IDManagerMixin):
 
         return activity if by_nuclide else sum(activity.values())
 
-    def get_decay_heat(self, units: str = 'W', by_nuclide: bool = False):
+    def get_decay_heat(self, units: str = 'W', by_nuclide: bool = False,
+                       volume: Optional[float] = None):
         """Returns the decay heat of the material or for each nuclide in the
         material in units of [W], [W/g] or [W/cm3].
 
@@ -1085,6 +1091,10 @@ class Material(IDManagerMixin):
         by_nuclide : bool
             Specifies if the decay heat should be returned for the material as a
             whole or per nuclide. Default is False.
+        volume : float, optional
+            Volume of the material if not assigned directly
+
+            .. versionadded:: 0.13.3
 
         Returns
         -------
@@ -1098,7 +1108,7 @@ class Material(IDManagerMixin):
         cv.check_type('by_nuclide', by_nuclide, bool)
 
         if units == 'W':
-            multiplier = self.volume
+            multiplier = volume if volume is not None else self.volume
         elif units == 'W/cm3':
             multiplier = 1
         elif units == 'W/g':
@@ -1113,11 +1123,18 @@ class Material(IDManagerMixin):
 
         return decayheat if by_nuclide else sum(decayheat.values())
 
-    def get_nuclide_atoms(self):
+    def get_nuclide_atoms(self, volume: Optional[float] = None):
         """Return number of atoms of each nuclide in the material
 
         .. versionadded:: 0.13.1
 
+        Parameters
+        ----------
+        volume : float, optional
+            Volume of the material if not assigned directly
+
+            .. versionadded:: 0.13.3
+
         Returns
         -------
         dict
@@ -1125,11 +1142,13 @@ class Material(IDManagerMixin):
             atoms present in the material.
 
         """
-        if self.volume is None:
+        if volume is None:
+            volume = self.volume
+        if volume is None:
             raise ValueError("Volume must be set in order to determine atoms.")
         atoms = {}
         for nuclide, atom_per_bcm in self.get_nuclide_atom_densities().items():
-            atoms[nuclide] = 1.0e24 * atom_per_bcm * self.volume
+            atoms[nuclide] = 1.0e24 * atom_per_bcm * volume
         return atoms
 
     def get_mass_density(self, nuclide: Optional[str] = None):
@@ -1154,7 +1173,7 @@ class Material(IDManagerMixin):
             mass_density += density_i
         return mass_density
 
-    def get_mass(self, nuclide: Optional[str] = None):
+    def get_mass(self, nuclide: Optional[str] = None, volume: Optional[float] = None):
         """Return mass of one or all nuclides.
 
         Note that this method requires that the :attr:`Material.volume` has
@@ -1165,6 +1184,11 @@ class Material(IDManagerMixin):
         nuclides : str, optional
             Nuclide for which mass is desired. If not specified, the density
             for the entire material is given.
+        volume : float, optional
+            Volume of the material if not assigned directly
+
+            .. versionadded:: 0.13.3
+
 
         Returns
         -------
@@ -1172,9 +1196,11 @@ class Material(IDManagerMixin):
             Mass of the nuclide/material in [g]
 
         """
-        if self.volume is None:
+        if volume is None:
+            volume = self.volume
+        if volume is None:
             raise ValueError("Volume must be set in order to determine mass.")
-        return self.volume*self.get_mass_density(nuclide)
+        return volume*self.get_mass_density(nuclide)
 
     def clone(self, memo: Optional[dict] = None):
         """Create a copy of this material with a new unique ID.
diff --git a/tests/unit_tests/test_material.py b/tests/unit_tests/test_material.py
index e435c7493..3b93b6879 100644
--- a/tests/unit_tests/test_material.py
+++ b/tests/unit_tests/test_material.py
@@ -377,6 +377,9 @@ def test_get_nuclide_atoms():
     atoms = mat.get_nuclide_atoms()
     assert atoms['Li6'] == pytest.approx(mat.density * mat.volume)
 
+    atoms = mat.get_nuclide_atoms(volume=10.0)
+    assert atoms['Li6'] == pytest.approx(mat.density * 10.0)
+
 
 def test_mass():
     m = openmc.Material()
@@ -394,6 +397,9 @@ def test_mass():
     assert m.get_mass() == pytest.approx(20.0)
     assert m.fissionable_mass == pytest.approx(10.0)
 
+    # Test with volume specified as argument
+    assert m.get_mass('Zr90', volume=1.0) == pytest.approx(1.0)
+
 
 def test_materials(run_in_tmpdir):
     m1 = openmc.Material()
@@ -544,11 +550,14 @@ def test_get_activity():
     m4.volume = 10.
     assert pytest.approx(m4.get_activity(units='Bq')) == 355978108155965.94*3/2*10 # [Bq]
 
+    # Test with volume specified as argument
+    assert pytest.approx(m4.get_activity(units='Bq', volume=1.0)) == 355978108155965.94*3/2
+
 
 def test_get_decay_heat():
     # Set chain file for testing
     openmc.config['chain_file'] = Path(__file__).parents[1] / 'chain_simple.xml'
-    
+
     """Tests the decay heat of stable, metastable and active materials"""
     m1 = openmc.Material()
     m1.add_nuclide("U235", 0.2)
@@ -589,7 +598,10 @@ def test_get_decay_heat():
     # volume is required to calculate total decay heat
     m4.volume = 10.
     assert pytest.approx(m4.get_decay_heat(units='W')) == 40175.15720273193*3/2*10 # [W]
- 
+
+    # Test with volume specified as argument
+    assert pytest.approx(m4.get_decay_heat(units='W', volume=1.0)) == 40175.15720273193*3/2
+
 
 def test_decay_photon_energy():
     # Set chain file for testing

From 59467633230660270fb74d0e6ceb0442b93e9680 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Sat, 4 Mar 2023 15:51:56 -0600
Subject: [PATCH 1624/2654] Moving origin data member down into
 Cylindrical/Spherical mesh using intermediate class

---
 include/openmc/mesh.h | 30 ++++++++++++++++++++++++++----
 src/mesh.cpp          | 14 ++++++++------
 2 files changed, 34 insertions(+), 10 deletions(-)

diff --git a/include/openmc/mesh.h b/include/openmc/mesh.h
index 9554a5143..6ae076106 100644
--- a/include/openmc/mesh.h
+++ b/include/openmc/mesh.h
@@ -75,6 +75,12 @@ public:
 
   // Methods
 
+  //! Update a position to the local coordinates of the mesh
+  virtual void to_local_coords(Position& r) const {};
+
+  //! Return a position in the local coordinates of the mesh
+  virtual Position local_coords(const Position& r) const { return r; };
+
   //! Determine which bins were crossed by a particle
   //
   //! \param[in] r0 Previous position of the particle
@@ -160,7 +166,7 @@ public:
     }
   };
 
-  int get_bin(Position r) const override;
+  virtual int get_bin(Position r) const;
 
   int n_bins() const override;
 
@@ -241,11 +247,27 @@ public:
   xt::xtensor<double, 1> lower_left_;  //!< Lower-left coordinates of mesh
   xt::xtensor<double, 1> upper_right_; //!< Upper-right coordinates of mesh
   std::array<int, 3> shape_; //!< Number of mesh elements in each dimension
-  Position origin_ {0.0, 0.0, 0.0};
 
 protected:
 };
 
+class PeriodicStructuredMesh : public StructuredMesh {
+
+public:
+  PeriodicStructuredMesh() = default;
+  PeriodicStructuredMesh(pugi::xml_node node) : StructuredMesh {node} {};
+
+  void to_local_coords(Position& r) const override { r -= origin_; };
+
+  Position local_coords(const Position& r) const override
+  {
+    return r - origin_;
+  };
+
+  // Data members
+  Position origin_ {0.0, 0.0, 0.0};
+};
+
 //==============================================================================
 //! Tessellation of n-dimensional Euclidean space by congruent squares or cubes
 //==============================================================================
@@ -336,7 +358,7 @@ public:
   int set_grid();
 };
 
-class CylindricalMesh : public StructuredMesh {
+class CylindricalMesh : public PeriodicStructuredMesh {
 public:
   // Constructors
   CylindricalMesh() = default;
@@ -390,7 +412,7 @@ private:
   }
 };
 
-class SphericalMesh : public StructuredMesh {
+class SphericalMesh : public PeriodicStructuredMesh {
 public:
   // Constructors
   SphericalMesh() = default;
diff --git a/src/mesh.cpp b/src/mesh.cpp
index e0fa305ed..eca1d2a3f 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -446,8 +446,8 @@ void StructuredMesh::raytrace_mesh(
 
   // translate start and end positions,
   // this needs to come after the get_indices call because it does its own translation
-  r0 -= origin_;
-  r1 -= origin_;
+  to_local_coords(r0);
+  to_local_coords(r1);
 
   // Calculate initial distances to next surfaces in all three dimensions
   std::array<MeshDistance, 3> distances;
@@ -952,7 +952,8 @@ void RectilinearMesh::to_hdf5(hid_t group) const
 // CylindricalMesh implementation
 //==============================================================================
 
-CylindricalMesh::CylindricalMesh(pugi::xml_node node) : StructuredMesh {node}
+CylindricalMesh::CylindricalMesh(pugi::xml_node node)
+  : PeriodicStructuredMesh {node}
 {
   n_dimension_ = 3;
 
@@ -976,7 +977,7 @@ std::string CylindricalMesh::get_mesh_type() const
 StructuredMesh::MeshIndex CylindricalMesh::get_indices(
   Position r, bool& in_mesh) const
 {
-  r -= origin_;
+  to_local_coords(r);
 
   Position mapped_r;
   mapped_r[0] = std::hypot(r.x, r.y);
@@ -1189,7 +1190,8 @@ void CylindricalMesh::to_hdf5(hid_t group) const
 // SphericalMesh implementation
 //==============================================================================
 
-SphericalMesh::SphericalMesh(pugi::xml_node node) : StructuredMesh {node}
+SphericalMesh::SphericalMesh(pugi::xml_node node)
+  : PeriodicStructuredMesh {node}
 {
   n_dimension_ = 3;
 
@@ -1213,7 +1215,7 @@ std::string SphericalMesh::get_mesh_type() const
 StructuredMesh::MeshIndex SphericalMesh::get_indices(
   Position r, bool& in_mesh) const
 {
-  r -= origin_;
+  to_local_coords(r);
 
   Position mapped_r;
   mapped_r[0] = r.norm();

From b02e558fae56486aed8d97ee1f00e8831be3f317 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Sat, 4 Mar 2023 23:57:55 -0600
Subject: [PATCH 1625/2654] Adding docstring. Updating method name

---
 include/openmc/mesh.h | 6 +++---
 src/mesh.cpp          | 8 ++++----
 2 files changed, 7 insertions(+), 7 deletions(-)

diff --git a/include/openmc/mesh.h b/include/openmc/mesh.h
index 6ae076106..f19a22c09 100644
--- a/include/openmc/mesh.h
+++ b/include/openmc/mesh.h
@@ -76,7 +76,7 @@ public:
   // Methods
 
   //! Update a position to the local coordinates of the mesh
-  virtual void to_local_coords(Position& r) const {};
+  virtual void local_coords(Position& r) const {};
 
   //! Return a position in the local coordinates of the mesh
   virtual Position local_coords(const Position& r) const { return r; };
@@ -257,7 +257,7 @@ public:
   PeriodicStructuredMesh() = default;
   PeriodicStructuredMesh(pugi::xml_node node) : StructuredMesh {node} {};
 
-  void to_local_coords(Position& r) const override { r -= origin_; };
+  void local_coords(Position& r) const override { r -= origin_; };
 
   Position local_coords(const Position& r) const override
   {
@@ -265,7 +265,7 @@ public:
   };
 
   // Data members
-  Position origin_ {0.0, 0.0, 0.0};
+  Position origin_ {0.0, 0.0, 0.0}; //!< Origin of the mesh
 };
 
 //==============================================================================
diff --git a/src/mesh.cpp b/src/mesh.cpp
index eca1d2a3f..9020a95aa 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -446,8 +446,8 @@ void StructuredMesh::raytrace_mesh(
 
   // translate start and end positions,
   // this needs to come after the get_indices call because it does its own translation
-  to_local_coords(r0);
-  to_local_coords(r1);
+  local_coords(r0);
+  local_coords(r1);
 
   // Calculate initial distances to next surfaces in all three dimensions
   std::array<MeshDistance, 3> distances;
@@ -977,7 +977,7 @@ std::string CylindricalMesh::get_mesh_type() const
 StructuredMesh::MeshIndex CylindricalMesh::get_indices(
   Position r, bool& in_mesh) const
 {
-  to_local_coords(r);
+  local_coords(r);
 
   Position mapped_r;
   mapped_r[0] = std::hypot(r.x, r.y);
@@ -1215,7 +1215,7 @@ std::string SphericalMesh::get_mesh_type() const
 StructuredMesh::MeshIndex SphericalMesh::get_indices(
   Position r, bool& in_mesh) const
 {
-  to_local_coords(r);
+  local_coords(r);
 
   Position mapped_r;
   mapped_r[0] = r.norm();

From 1a9449debce3036b3ff3cf5e7b30662bae5b6b55 Mon Sep 17 00:00:00 2001
From: shimwell <mail@jshimwell.com>
Date: Mon, 6 Mar 2023 20:36:34 +0000
Subject: [PATCH 1626/2654] finding data_type arg automatically

---
 openmc/plotter.py                | 131 +++++++++++++++----------------
 tests/unit_tests/test_plotter.py |  28 +++----
 2 files changed, 76 insertions(+), 83 deletions(-)

diff --git a/openmc/plotter.py b/openmc/plotter.py
index e2d18d085..541b05f0b 100644
--- a/openmc/plotter.py
+++ b/openmc/plotter.py
@@ -53,16 +53,15 @@ _MIN_E = 1.e-5
 _MAX_E = 20.e6
 
 
-def plot_xs(this, types, divisor_types=None, temperature=294., data_type=None,
-            axis=None, sab_name=None, ce_cross_sections=None,
-            mg_cross_sections=None, enrichment=None, plot_CE=True, orders=None,
-            divisor_orders=None, **kwargs):
+def plot_xs(this, types, divisor_types=None, temperature=294., axis=None,
+            sab_name=None, ce_cross_sections=None, mg_cross_sections=None,
+            enrichment=None, plot_CE=True, orders=None, divisor_orders=None):
     """Creates a figure of continuous-energy cross sections for this item.
 
     Parameters
     ----------
-    this : str or openmc.Material
-        Object to source data from
+    this : {str, openmc.Nuclide, openmc.Element, openmc.Macroscopic, openmc.Material}
+        Object to source data from. Nuclides and Elements can be input as a str
     types : Iterable of values of PLOT_TYPES
         The type of cross sections to include in the plot.
     divisor_types : Iterable of values of PLOT_TYPES, optional
@@ -74,9 +73,6 @@ def plot_xs(this, types, divisor_types=None, temperature=294., data_type=None,
         temperature of 294K will be plotted. Note that the nearest
         temperature in the library for each nuclide will be used as opposed
         to using any interpolation.
-    data_type : {'nuclide', 'element', 'material', 'macroscopic'}, optional
-        Type of object to plot. If not specified, a guess is made based on the
-        `this` argument.
     axis : matplotlib.axes, optional
         A previously generated axis to use for plotting. If not specified,
         a new axis and figure will be generated.
@@ -101,9 +97,6 @@ def plot_xs(this, types, divisor_types=None, temperature=294., data_type=None,
         multi-group data.
     divisor_orders : Iterable of Integral, optional
         Same as orders, but for divisor_types
-    **kwargs
-        All keyword arguments are passed to
-        :func:`matplotlib.pyplot.figure`.
 
     Returns
     -------
@@ -117,27 +110,11 @@ def plot_xs(this, types, divisor_types=None, temperature=294., data_type=None,
     import matplotlib.pyplot as plt
 
     cv.check_type("plot_CE", plot_CE, bool)
-
-    if data_type is None:
-        if isinstance(this, openmc.Nuclide):
-            data_type = 'nuclide'
-        elif isinstance(this, openmc.Element):
-            data_type = 'element'
-        elif isinstance(this, openmc.Material):
-            data_type = 'material'
-        elif isinstance(this, openmc.Macroscopic):
-            data_type = 'macroscopic'
-        elif isinstance(this, str):
-            if this[-1] in string.digits:
-                data_type = 'nuclide'
-            else:
-                data_type = 'element'
-        else:
-            raise TypeError("Invalid type for plotting")
+    cv.check_type("this", this, (str, openmc.Nuclide, openmc.Element, openmc.Material))
 
     if plot_CE:
         # Calculate for the CE cross sections
-        E, data = calculate_cexs(this, data_type, types, temperature, sab_name,
+        E, data = calculate_cexs(this, types, temperature, sab_name,
                                  ce_cross_sections, enrichment)
         if divisor_types:
             cv.check_length('divisor types', divisor_types, len(types))
@@ -160,13 +137,13 @@ def plot_xs(this, types, divisor_types=None, temperature=294., data_type=None,
             data = data_new
     else:
         # Calculate for MG cross sections
-        E, data = calculate_mgxs(this, data_type, types, orders, temperature,
+        E, data = calculate_mgxs(this, types, orders, temperature,
                                  mg_cross_sections, ce_cross_sections,
                                  enrichment)
 
         if divisor_types:
             cv.check_length('divisor types', divisor_types, len(types))
-            Ediv, data_div = calculate_mgxs(this, data_type, divisor_types,
+            Ediv, data_div = calculate_mgxs(this, divisor_types,
                                             divisor_orders, temperature,
                                             mg_cross_sections,
                                             ce_cross_sections, enrichment)
@@ -201,23 +178,35 @@ def plot_xs(this, types, divisor_types=None, temperature=294., data_type=None,
         ax.set_xlim(_MIN_E, _MAX_E)
     else:
         ax.set_xlim(E[-1], E[0])
+
+    if isinstance(this, str):
+        # first entry in ELEMENT_SYMBOL is a neutron, the 1 removes this entry
+        if this in list(openmc.data.ELEMENT_SYMBOL.values())[1:]:
+            this = openmc.Element(this)
+        else:
+            this = openmc.Nuclide(this)
+
     if divisor_types:
-        if data_type == 'nuclide':
+        if isinstance(this, openmc.Nuclide):
             ylabel = 'Nuclidic Microscopic Data'
-        elif data_type == 'element':
+        elif isinstance(this, openmc.Element):
             ylabel = 'Elemental Microscopic Data'
-        elif data_type == 'material' or data_type == 'macroscopic':
+        elif isinstance(this, openmc.Material) or isinstance(this, openmc.Macroscopic):
             ylabel = 'Macroscopic Data'
+        else:
+            raise TypeError("Invalid type for plotting")
     else:
-        if data_type == 'nuclide':
+        if isinstance(this, openmc.Nuclide):
             ylabel = 'Microscopic Cross Section [b]'
-        elif data_type == 'element':
+        elif isinstance(this, openmc.Element):
             ylabel = 'Elemental Cross Section [b]'
-        elif data_type == 'material' or data_type == 'macroscopic':
+        elif isinstance(this, openmc.Material) or isinstance(this, openmc.Macroscopic):
             ylabel = 'Macroscopic Cross Section [1/cm]'
+        else:
+            raise TypeError("Invalid type for plotting")
     ax.set_ylabel(ylabel)
     ax.legend(loc='best')
-    name = this.name if data_type == 'material' else this
+    name = this.name if isinstance(this, openmc.Material) else this
     if len(types) > 1:
         ax.set_title('Cross Sections for ' + name)
     else:
@@ -226,16 +215,14 @@ def plot_xs(this, types, divisor_types=None, temperature=294., data_type=None,
     return fig
 
 
-def calculate_cexs(this, data_type, types, temperature=294., sab_name=None,
+def calculate_cexs(this, types, temperature=294., sab_name=None,
                    cross_sections=None, enrichment=None):
     """Calculates continuous-energy cross sections of a requested type.
 
     Parameters
     ----------
     this : {str, openmc.Nuclide, openmc.Element, openmc.Material}
-        Object to source data from
-    data_type : {'nuclide', 'element', 'material'}
-        Type of object to plot
+        Object to source data from. Nuclides and Elements can be input as a str
     types : Iterable of values of PLOT_TYPES
         The type of cross sections to calculate
     temperature : float, optional
@@ -262,39 +249,46 @@ def calculate_cexs(this, data_type, types, temperature=294., sab_name=None,
     """
 
     # Check types
+    cv.check_type('this', this, (str, openmc.Nuclide, openmc.Element, openmc.Material))
     cv.check_type('temperature', temperature, Real)
     if sab_name:
         cv.check_type('sab_name', sab_name, str)
     if enrichment:
         cv.check_type('enrichment', enrichment, Real)
 
-    if data_type == 'nuclide':
-        if isinstance(this, str):
-            nuc = openmc.Nuclide(this)
+    # this is a nuclide or element if it is a string
+    if isinstance(this, str):
+        # first entry in ELEMENT_SYMBOL is a neutron, the 1 removes this entry
+        if this in list(openmc.data.ELEMENT_SYMBOL.values())[1:]:
+            this = openmc.Element(this)
         else:
-            nuc = this
-        energy_grid, xs = _calculate_cexs_nuclide(nuc, types, temperature,
+            this = openmc.Nuclide(this)
+
+    if isinstance(this, openmc.Nuclide):
+        energy_grid, xs = _calculate_cexs_nuclide(this, types, temperature,
                                                   sab_name, cross_sections)
+
         # Convert xs (Iterable of Callable) to a grid of cross section values
         # calculated on the points in energy_grid for consistency with the
         # element and material functions.
         data = np.zeros((len(types), len(energy_grid)))
         for line in range(len(types)):
             data[line, :] = xs[line](energy_grid)
-    elif data_type == 'element':
-        if isinstance(this, str):
-            elem = openmc.Element(this)
-        else:
-            elem = this
-        energy_grid, data = _calculate_cexs_elem_mat(elem, types, temperature,
+
+    elif isinstance(this, openmc.Element):
+        energy_grid, data = _calculate_cexs_elem_mat(this, types, temperature,
                                                      cross_sections, sab_name,
                                                      enrichment)
-    elif data_type == 'material':
-        cv.check_type('this', this, openmc.Material)
+
+    elif isinstance(this, openmc.Material):
         energy_grid, data = _calculate_cexs_elem_mat(this, types, temperature,
                                                      cross_sections)
     else:
-        raise TypeError("Invalid type")
+        msg = (
+            f"{this} is an invalid type, acceptable types are str, "
+            "openmc.Nuclide, openmc.Element, openmc.Material."
+        )
+        raise TypeError(msg)
 
     return energy_grid, data
 
@@ -583,8 +577,7 @@ def _calculate_cexs_elem_mat(this, types, temperature=294.,
         name = nuclide[0]
         nuc = nuclide[1]
         sab_tab = sabs[name]
-        temp_E, temp_xs = calculate_cexs(nuc, 'nuclide', types, T, sab_tab,
-                                         cross_sections)
+        temp_E, temp_xs = calculate_cexs(nuc, types, T, sab_tab, cross_sections)
         E.append(temp_E)
         # Since the energy grids are different, store the cross sections as
         # a tabulated function so they can be calculated on any grid needed.
@@ -611,7 +604,7 @@ def _calculate_cexs_elem_mat(this, types, temperature=294.,
     return energy_grid, data
 
 
-def calculate_mgxs(this, data_type, types, orders=None, temperature=294.,
+def calculate_mgxs(this, types, orders=None, temperature=294.,
                    cross_sections=None, ce_cross_sections=None,
                    enrichment=None):
     """Calculates multi-group cross sections of a requested type.
@@ -622,10 +615,8 @@ def calculate_mgxs(this, data_type, types, orders=None, temperature=294.,
 
     Parameters
     ----------
-    this : str or openmc.Material
-        Object to source data from
-    data_type : {'nuclide', 'element', 'material', 'macroscopic'}
-        Type of object to plot
+    this : {str, openmc.Nuclide, openmc.Element, openmc.Macroscopic, openmc.Material}
+        Object to source data from. Nuclides and Elements can be input as a str
     types : Iterable of values of PLOT_TYPES_MGXS
         The type of cross sections to calculate
     orders : Iterable of Integral, optional
@@ -665,10 +656,18 @@ def calculate_mgxs(this, data_type, types, orders=None, temperature=294.,
     cv.check_type("cross_sections", cross_sections, str)
     library = openmc.MGXSLibrary.from_hdf5(cross_sections)
 
-    if data_type in ('nuclide', 'macroscopic'):
+    # this is a nuclide or element if it is a string
+    if isinstance(this, str):
+        # first entry in ELEMENT_SYMBOL is a neutron, the 1 removes this entry
+        if this in list(openmc.data.ELEMENT_SYMBOL.values())[1:]:
+            this = openmc.Element(this)
+        else:
+            this = openmc.Nuclide(this)
+
+    if isinstance(this, openmc.Nuclide) or isinstance(this, openmc.Macroscopic):
         mgxs = _calculate_mgxs_nuc_macro(this, types, library, orders,
                                          temperature)
-    elif data_type in ('element', 'material'):
+    elif isinstance(this, openmc.Element) or isinstance(this, openmc.Material):
         mgxs = _calculate_mgxs_elem_mat(this, types, library, orders,
                                         temperature, ce_cross_sections,
                                         enrichment)
diff --git a/tests/unit_tests/test_plotter.py b/tests/unit_tests/test_plotter.py
index 081fb520d..f7c731f1d 100644
--- a/tests/unit_tests/test_plotter.py
+++ b/tests/unit_tests/test_plotter.py
@@ -4,7 +4,7 @@ import pytest
 from matplotlib.figure import Figure
 
 
-@pytest.fixture(scope="module")
+@pytest.fixture(scope='module')
 def test_mat():
     mat_1 = openmc.Material()
     mat_1.add_element("H", 4.0, "ao")
@@ -12,7 +12,6 @@ def test_mat():
     mat_1.add_element("C", 4.0, "ao")
     return mat_1
 
-
 def test_calculate_cexs_elem_mat_sab(test_mat):
     """Checks that sab cross sections are included in the
     _calculate_cexs_elem_mat method and have the correct shape"""
@@ -33,12 +32,11 @@ def test_calculate_cexs_elem_mat_sab(test_mat):
     assert len(data[0]) == len(energy_grid)
 
 
-@pytest.mark.parametrize("this,data_type", [("Li", "element"), ("Li6", "nuclide")])
-def test_calculate_cexs_with_element(this, data_type):
-
+@pytest.mark.parametrize("this", ["Li", "Li6", openmc.Nuclide('Li6'), openmc.Element('Li')])
+def test_calculate_cexs_with_nuclide_and_element(this):
     # single type (reaction)
     energy_grid, data = openmc.plotter.calculate_cexs(
-        this=this, data_type=data_type, types=[205]
+        this=this, types=[205]
     )
 
     assert isinstance(energy_grid, np.ndarray)
@@ -47,9 +45,9 @@ def test_calculate_cexs_with_element(this, data_type):
     assert len(data) == 1
     assert len(data[0]) == len(energy_grid)
 
-    # two types (reaction)
+    # two types (reactions)
     energy_grid, data = openmc.plotter.calculate_cexs(
-        this=this, data_type=data_type, types=[2, "elastic"]
+        this=this, types=[2, "elastic"]
     )
 
     assert isinstance(energy_grid, np.ndarray)
@@ -64,7 +62,7 @@ def test_calculate_cexs_with_element(this, data_type):
 
 def test_calculate_cexs_with_materials(test_mat):
     energy_grid, data = openmc.plotter.calculate_cexs(
-        this=test_mat, types=[205], data_type="material"
+        this=test_mat, types=[205]
     )
 
     assert isinstance(energy_grid, np.ndarray)
@@ -74,14 +72,10 @@ def test_calculate_cexs_with_materials(test_mat):
     assert len(data[0]) == len(energy_grid)
 
 
-@pytest.mark.parametrize(("this,data_type"), [("Be", "element"), ("Be9", "nuclide")])
-def test_plot_xs(this, data_type):
-    assert isinstance(
-        openmc.plotter.plot_xs(this, data_type=data_type, types=["total"]), Figure
-    )
+@pytest.mark.parametrize("this", ["Be", "Be9", openmc.Nuclide('Be9'), openmc.Element('Be')])
+def test_plot_xs(this):
+    assert isinstance(openmc.plotter.plot_xs(this, types=['total']), Figure)
 
 
 def test_plot_xs_mat(test_mat):
-    assert isinstance(
-        openmc.plotter.plot_xs(test_mat, data_type="material", types=["total"]), Figure
-    )
+    assert isinstance(openmc.plotter.plot_xs(test_mat, types=['total']), Figure)

From ab4237c037a3f142e50168690c2c0dca5edefcf5 Mon Sep 17 00:00:00 2001
From: RemDelaporteMathurin <rdelaportemathurin@gmail.com>
Date: Tue, 7 Mar 2023 14:36:07 -0500
Subject: [PATCH 1627/2654] use get_reshaped_data in tests

---
 tests/unit_tests/test_cylindrical_mesh.py | 2 +-
 tests/unit_tests/test_spherical_mesh.py   | 2 +-
 2 files changed, 2 insertions(+), 2 deletions(-)

diff --git a/tests/unit_tests/test_cylindrical_mesh.py b/tests/unit_tests/test_cylindrical_mesh.py
index e67f21b15..9c8ce79f9 100644
--- a/tests/unit_tests/test_cylindrical_mesh.py
+++ b/tests/unit_tests/test_cylindrical_mesh.py
@@ -93,6 +93,6 @@ def test_offset_mesh(model, estimator, origin):
 
         # check that the lower half of the mesh contains a tally result
         # and that the upper half is zero
-        mean = tally.mean.reshape(mesh.dimension[::-1]).T
+        mean = tally.get_reshaped_data('mean', expand_dims=True)
         # assert np.count_nonzero(mean[:, :, :5]) == mean.size / 2
         # assert np.count_nonzero(mean[:, :, 5:]) == 0
diff --git a/tests/unit_tests/test_spherical_mesh.py b/tests/unit_tests/test_spherical_mesh.py
index d6ac435c2..489c4bd34 100644
--- a/tests/unit_tests/test_spherical_mesh.py
+++ b/tests/unit_tests/test_spherical_mesh.py
@@ -93,6 +93,6 @@ def test_offset_mesh(model, estimator, origin):
 
         # check that the lower half of the mesh contains a tally result
         # and that the upper half is zero
-        mean = tally.mean.reshape(mesh.dimension[::-1]).T
+        mean = tally.get_reshaped_data('mean', expand_dims=True)
         # assert np.count_nonzero(mean[:, :, :5]) == mean.size / 2
         # assert np.count_nonzero(mean[:, :, 5:]) == 0

From da89de0034ff1c5d319424627f76672a4c3678d9 Mon Sep 17 00:00:00 2001
From: shimwell <mail@jshimwell.com>
Date: Tue, 7 Mar 2023 20:40:03 +0000
Subject: [PATCH 1628/2654] updated action versions to latest major release

---
 .github/workflows/dockerhub-publish-dagmc-libmesh.yml     | 8 ++++----
 .github/workflows/dockerhub-publish-dagmc.yml             | 8 ++++----
 .github/workflows/dockerhub-publish-dev.yml               | 8 ++++----
 .../workflows/dockerhub-publish-develop-dagmc-libmesh.yml | 8 ++++----
 .github/workflows/dockerhub-publish-develop-dagmc.yml     | 8 ++++----
 .github/workflows/dockerhub-publish-develop-libmesh.yml   | 8 ++++----
 .github/workflows/dockerhub-publish-libmesh.yml           | 8 ++++----
 .../workflows/dockerhub-publish-release-dagmc-libmesh.yml | 8 ++++----
 .github/workflows/dockerhub-publish-release-dagmc.yml     | 8 ++++----
 .github/workflows/dockerhub-publish-release-libmesh.yml   | 8 ++++----
 .github/workflows/dockerhub-publish-release.yml           | 8 ++++----
 .github/workflows/dockerhub-publish.yml                   | 8 ++++----
 12 files changed, 48 insertions(+), 48 deletions(-)

diff --git a/.github/workflows/dockerhub-publish-dagmc-libmesh.yml b/.github/workflows/dockerhub-publish-dagmc-libmesh.yml
index 3336c653e..3f0b5ab9b 100644
--- a/.github/workflows/dockerhub-publish-dagmc-libmesh.yml
+++ b/.github/workflows/dockerhub-publish-dagmc-libmesh.yml
@@ -10,20 +10,20 @@ jobs:
     steps:
       -
         name: Set up QEMU
-        uses: docker/setup-qemu-action@v1
+        uses: docker/setup-qemu-action@v2
       -
         name: Set up Docker Buildx
-        uses: docker/setup-buildx-action@v1
+        uses: docker/setup-buildx-action@v2
       -
         name: Login to DockerHub
-        uses: docker/login-action@v1 
+        uses: docker/login-action@v2
         with:
           username: ${{ secrets.DOCKERHUB_USERNAME }}
           password: ${{ secrets.DOCKERHUB_TOKEN }}
       -
         name: Build and push
         id: docker_build
-        uses: docker/build-push-action@v2
+        uses: docker/build-push-action@v4
         with:
           push: true
           tags: openmc/openmc:latest-dagmc-libmesh
diff --git a/.github/workflows/dockerhub-publish-dagmc.yml b/.github/workflows/dockerhub-publish-dagmc.yml
index 663e1fd17..b6ba2f075 100644
--- a/.github/workflows/dockerhub-publish-dagmc.yml
+++ b/.github/workflows/dockerhub-publish-dagmc.yml
@@ -10,20 +10,20 @@ jobs:
     steps:
       -
         name: Set up QEMU
-        uses: docker/setup-qemu-action@v1
+        uses: docker/setup-qemu-action@v2
       -
         name: Set up Docker Buildx
-        uses: docker/setup-buildx-action@v1
+        uses: docker/setup-buildx-action@v2
       -
         name: Login to DockerHub
-        uses: docker/login-action@v1 
+        uses: docker/login-action@v2 
         with:
           username: ${{ secrets.DOCKERHUB_USERNAME }}
           password: ${{ secrets.DOCKERHUB_TOKEN }}
       -
         name: Build and push
         id: docker_build
-        uses: docker/build-push-action@v2
+        uses: docker/build-push-action@v4
         with:
           push: true
           tags: openmc/openmc:latest-dagmc
diff --git a/.github/workflows/dockerhub-publish-dev.yml b/.github/workflows/dockerhub-publish-dev.yml
index a08d13e5a..d2603ead4 100644
--- a/.github/workflows/dockerhub-publish-dev.yml
+++ b/.github/workflows/dockerhub-publish-dev.yml
@@ -10,20 +10,20 @@ jobs:
     steps:
       -
         name: Set up QEMU
-        uses: docker/setup-qemu-action@v1
+        uses: docker/setup-qemu-action@v2
       -
         name: Set up Docker Buildx
-        uses: docker/setup-buildx-action@v1
+        uses: docker/setup-buildx-action@v2
       -
         name: Login to DockerHub
-        uses: docker/login-action@v1 
+        uses: docker/login-action@v2 
         with:
           username: ${{ secrets.DOCKERHUB_USERNAME }}
           password: ${{ secrets.DOCKERHUB_TOKEN }}
       -
         name: Build and push
         id: docker_build
-        uses: docker/build-push-action@v2
+        uses: docker/build-push-action@v4
         with:
           push: true
           tags: openmc/openmc:develop
diff --git a/.github/workflows/dockerhub-publish-develop-dagmc-libmesh.yml b/.github/workflows/dockerhub-publish-develop-dagmc-libmesh.yml
index 0c90d8796..354f0a020 100644
--- a/.github/workflows/dockerhub-publish-develop-dagmc-libmesh.yml
+++ b/.github/workflows/dockerhub-publish-develop-dagmc-libmesh.yml
@@ -10,20 +10,20 @@ jobs:
     steps:
       -
         name: Set up QEMU
-        uses: docker/setup-qemu-action@v1
+        uses: docker/setup-qemu-action@v2
       -
         name: Set up Docker Buildx
-        uses: docker/setup-buildx-action@v1
+        uses: docker/setup-buildx-action@v2
       -
         name: Login to DockerHub
-        uses: docker/login-action@v1 
+        uses: docker/login-action@v2 
         with:
           username: ${{ secrets.DOCKERHUB_USERNAME }}
           password: ${{ secrets.DOCKERHUB_TOKEN }}
       -
         name: Build and push
         id: docker_build
-        uses: docker/build-push-action@v2
+        uses: docker/build-push-action@v4
         with:
           push: true
           tags: openmc/openmc:develop-dagmc-libmesh
diff --git a/.github/workflows/dockerhub-publish-develop-dagmc.yml b/.github/workflows/dockerhub-publish-develop-dagmc.yml
index b98b3dff6..36ec7a337 100644
--- a/.github/workflows/dockerhub-publish-develop-dagmc.yml
+++ b/.github/workflows/dockerhub-publish-develop-dagmc.yml
@@ -10,20 +10,20 @@ jobs:
     steps:
       -
         name: Set up QEMU
-        uses: docker/setup-qemu-action@v1
+        uses: docker/setup-qemu-action@v2
       -
         name: Set up Docker Buildx
-        uses: docker/setup-buildx-action@v1
+        uses: docker/setup-buildx-action@v2
       -
         name: Login to DockerHub
-        uses: docker/login-action@v1 
+        uses: docker/login-action@v2 
         with:
           username: ${{ secrets.DOCKERHUB_USERNAME }}
           password: ${{ secrets.DOCKERHUB_TOKEN }}
       -
         name: Build and push
         id: docker_build
-        uses: docker/build-push-action@v2
+        uses: docker/build-push-action@v4
         with:
           push: true
           tags: openmc/openmc:develop-dagmc
diff --git a/.github/workflows/dockerhub-publish-develop-libmesh.yml b/.github/workflows/dockerhub-publish-develop-libmesh.yml
index e42ba0b27..a89417316 100644
--- a/.github/workflows/dockerhub-publish-develop-libmesh.yml
+++ b/.github/workflows/dockerhub-publish-develop-libmesh.yml
@@ -10,20 +10,20 @@ jobs:
     steps:
       -
         name: Set up QEMU
-        uses: docker/setup-qemu-action@v1
+        uses: docker/setup-qemu-action@v2
       -
         name: Set up Docker Buildx
-        uses: docker/setup-buildx-action@v1
+        uses: docker/setup-buildx-action@v2
       -
         name: Login to DockerHub
-        uses: docker/login-action@v1 
+        uses: docker/login-action@v2 
         with:
           username: ${{ secrets.DOCKERHUB_USERNAME }}
           password: ${{ secrets.DOCKERHUB_TOKEN }}
       -
         name: Build and push
         id: docker_build
-        uses: docker/build-push-action@v2
+        uses: docker/build-push-action@v4
         with:
           push: true
           tags: openmc/openmc:develop-libmesh
diff --git a/.github/workflows/dockerhub-publish-libmesh.yml b/.github/workflows/dockerhub-publish-libmesh.yml
index a861c5c9c..e592ccb8e 100644
--- a/.github/workflows/dockerhub-publish-libmesh.yml
+++ b/.github/workflows/dockerhub-publish-libmesh.yml
@@ -10,20 +10,20 @@ jobs:
     steps:
       -
         name: Set up QEMU
-        uses: docker/setup-qemu-action@v1
+        uses: docker/setup-qemu-action@v2
       -
         name: Set up Docker Buildx
-        uses: docker/setup-buildx-action@v1
+        uses: docker/setup-buildx-action@v2
       -
         name: Login to DockerHub
-        uses: docker/login-action@v1 
+        uses: docker/login-action@v2 
         with:
           username: ${{ secrets.DOCKERHUB_USERNAME }}
           password: ${{ secrets.DOCKERHUB_TOKEN }}
       -
         name: Build and push
         id: docker_build
-        uses: docker/build-push-action@v2
+        uses: docker/build-push-action@v4
         with:
           push: true
           tags: openmc/openmc:latest-libmesh
diff --git a/.github/workflows/dockerhub-publish-release-dagmc-libmesh.yml b/.github/workflows/dockerhub-publish-release-dagmc-libmesh.yml
index 3dd830a26..c90302af4 100644
--- a/.github/workflows/dockerhub-publish-release-dagmc-libmesh.yml
+++ b/.github/workflows/dockerhub-publish-release-dagmc-libmesh.yml
@@ -13,20 +13,20 @@ jobs:
         run: echo "RELEASE_VERSION=${GITHUB_REF#refs/*/}" >> $GITHUB_ENV
       -
         name: Set up QEMU
-        uses: docker/setup-qemu-action@v1
+        uses: docker/setup-qemu-action@v2
       -
         name: Set up Docker Buildx
-        uses: docker/setup-buildx-action@v1
+        uses: docker/setup-buildx-action@v2
       -
         name: Login to DockerHub
-        uses: docker/login-action@v1
+        uses: docker/login-action@v2
         with:
           username: ${{ secrets.DOCKERHUB_USERNAME }}
           password: ${{ secrets.DOCKERHUB_TOKEN }}
       -
         name: Build and push
         id: docker_build
-        uses: docker/build-push-action@v2
+        uses: docker/build-push-action@v4
         with:
           push: true
           tags: openmc/openmc:${{ env.RELEASE_VERSION }}-dagmc-libmesh
diff --git a/.github/workflows/dockerhub-publish-release-dagmc.yml b/.github/workflows/dockerhub-publish-release-dagmc.yml
index d7cfff019..ef66f6ead 100644
--- a/.github/workflows/dockerhub-publish-release-dagmc.yml
+++ b/.github/workflows/dockerhub-publish-release-dagmc.yml
@@ -13,20 +13,20 @@ jobs:
         run: echo "RELEASE_VERSION=${GITHUB_REF#refs/*/}" >> $GITHUB_ENV
       -
         name: Set up QEMU
-        uses: docker/setup-qemu-action@v1
+        uses: docker/setup-qemu-action@v2
       -
         name: Set up Docker Buildx
-        uses: docker/setup-buildx-action@v1
+        uses: docker/setup-buildx-action@v2
       -
         name: Login to DockerHub
-        uses: docker/login-action@v1 
+        uses: docker/login-action@v2 
         with:
           username: ${{ secrets.DOCKERHUB_USERNAME }}
           password: ${{ secrets.DOCKERHUB_TOKEN }}
       -
         name: Build and push
         id: docker_build
-        uses: docker/build-push-action@v2
+        uses: docker/build-push-action@v4
         with:
           push: true
           tags: openmc/openmc:${{ env.RELEASE_VERSION }}-dagmc
diff --git a/.github/workflows/dockerhub-publish-release-libmesh.yml b/.github/workflows/dockerhub-publish-release-libmesh.yml
index d2fdbc469..72edfbc68 100644
--- a/.github/workflows/dockerhub-publish-release-libmesh.yml
+++ b/.github/workflows/dockerhub-publish-release-libmesh.yml
@@ -13,20 +13,20 @@ jobs:
         run: echo "RELEASE_VERSION=${GITHUB_REF#refs/*/}" >> $GITHUB_ENV
       -
         name: Set up QEMU
-        uses: docker/setup-qemu-action@v1
+        uses: docker/setup-qemu-action@v2
       -
         name: Set up Docker Buildx
-        uses: docker/setup-buildx-action@v1
+        uses: docker/setup-buildx-action@v2
       -
         name: Login to DockerHub
-        uses: docker/login-action@v1
+        uses: docker/login-action@v2
         with:
           username: ${{ secrets.DOCKERHUB_USERNAME }}
           password: ${{ secrets.DOCKERHUB_TOKEN }}
       -
         name: Build and push
         id: docker_build
-        uses: docker/build-push-action@v2
+        uses: docker/build-push-action@v4
         with:
           push: true
           tags: openmc/openmc:${{ env.RELEASE_VERSION }}-libmesh
diff --git a/.github/workflows/dockerhub-publish-release.yml b/.github/workflows/dockerhub-publish-release.yml
index 4e3ad4177..22d21b4c9 100644
--- a/.github/workflows/dockerhub-publish-release.yml
+++ b/.github/workflows/dockerhub-publish-release.yml
@@ -13,20 +13,20 @@ jobs:
         run: echo "RELEASE_VERSION=${GITHUB_REF#refs/*/}" >> $GITHUB_ENV
       -
         name: Set up QEMU
-        uses: docker/setup-qemu-action@v1
+        uses: docker/setup-qemu-action@v2
       -
         name: Set up Docker Buildx
-        uses: docker/setup-buildx-action@v1
+        uses: docker/setup-buildx-action@v2
       -
         name: Login to DockerHub
-        uses: docker/login-action@v1 
+        uses: docker/login-action@v2 
         with:
           username: ${{ secrets.DOCKERHUB_USERNAME }}
           password: ${{ secrets.DOCKERHUB_TOKEN }}
       -
         name: Build and push
         id: docker_build
-        uses: docker/build-push-action@v2
+        uses: docker/build-push-action@v4
         with:
           push: true
           tags: openmc/openmc:${{ env.RELEASE_VERSION }}
diff --git a/.github/workflows/dockerhub-publish.yml b/.github/workflows/dockerhub-publish.yml
index 6bd0c4dc6..00a3ba316 100644
--- a/.github/workflows/dockerhub-publish.yml
+++ b/.github/workflows/dockerhub-publish.yml
@@ -10,20 +10,20 @@ jobs:
     steps:
       -
         name: Set up QEMU
-        uses: docker/setup-qemu-action@v1
+        uses: docker/setup-qemu-action@v2
       -
         name: Set up Docker Buildx
-        uses: docker/setup-buildx-action@v1
+        uses: docker/setup-buildx-action@v2
       -
         name: Login to DockerHub
-        uses: docker/login-action@v1 
+        uses: docker/login-action@v2 
         with:
           username: ${{ secrets.DOCKERHUB_USERNAME }}
           password: ${{ secrets.DOCKERHUB_TOKEN }}
       -
         name: Build and push
         id: docker_build
-        uses: docker/build-push-action@v2
+        uses: docker/build-push-action@v4
         with:
           push: true
           tags: openmc/openmc:latest

From c487090b3f6c19b9de1adade6c6ccb261c1e1e08 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Mon, 6 Mar 2023 23:38:00 -0600
Subject: [PATCH 1629/2654] Correcting spherical to cartesian coordinate
 conversion

---
 openmc/mesh.py                       |   8 +-
 tests/unit_tests/test_mesh_to_vtk.py | 156 ++++++++++++++++++++++++---
 2 files changed, 147 insertions(+), 17 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 5294b2dd6..a0f86314d 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -446,7 +446,7 @@ class RegularMesh(StructuredMesh):
         if self._width is not None:
             self._width = None
             warnings.warn("Unsetting width attribute.")
-        
+
         if self.lower_left is not None and any(np.isclose(self.lower_left, upper_right)):
             raise ValueError("Mesh cannot have zero thickness in any dimension")
 
@@ -1533,9 +1533,9 @@ class SphericalMesh(StructuredMesh):
 
         pts_cartesian = np.copy(pts_spherical)
         r, theta, phi = pts_spherical[:, 0], pts_spherical[:, 1], pts_spherical[:, 2]
-        pts_cartesian[:, 0] = r * np.sin(phi) * np.cos(theta)
-        pts_cartesian[:, 1] = r * np.sin(phi) * np.sin(theta)
-        pts_cartesian[:, 2] = r * np.cos(phi)
+        pts_cartesian[:, 0] = r * np.sin(theta) * np.cos(phi)
+        pts_cartesian[:, 1] = r * np.sin(theta) * np.sin(phi)
+        pts_cartesian[:, 2] = r * np.cos(theta)
 
         return super().write_data_to_vtk(
             points=pts_cartesian,
diff --git a/tests/unit_tests/test_mesh_to_vtk.py b/tests/unit_tests/test_mesh_to_vtk.py
index a9dcd7243..06a5606e7 100644
--- a/tests/unit_tests/test_mesh_to_vtk.py
+++ b/tests/unit_tests/test_mesh_to_vtk.py
@@ -1,3 +1,5 @@
+from itertools import product
+
 import numpy as np
 from pathlib import Path
 import pytest
@@ -7,29 +9,77 @@ from vtk.util import numpy_support as nps
 
 import openmc
 
+@pytest.fixture
+def model():
+    openmc.reset_auto_ids()
+
+    surf1 = openmc.Sphere(r=10, boundary_type='vacuum')
+    surf2 = openmc.XPlane(x0=-0.001, boundary_type='vacuum')
+
+    cell = openmc.Cell(region=-surf1 & -surf2)
+
+    geometry = openmc.Geometry([cell])
+
+    settings = openmc.Settings()
+    settings.batches = 2
+    settings.particles = 100
+    settings.run_mode = 'fixed source'
+
+    source = openmc.Source()
+    source.angle = openmc.stats.Isotropic()
+    source.energy = openmc.stats.Discrete([1.0e6], [1.0])
+    source.space = openmc.stats.Point((-0.01, -0.01, -0.01))
+
+    settings.source = source
+
+    model = openmc.Model(geometry=geometry, settings=settings)
+
+    return model
+
 
 regular_mesh = openmc.RegularMesh()
-regular_mesh.lower_left = (0, 0, 0)
-regular_mesh.upper_right = (1, 1, 1)
+regular_mesh.lower_left = (-10, -10, -10)
+regular_mesh.upper_right = (10, 10, 10)
 regular_mesh.dimension = [30, 20, 10]
 
 rectilinear_mesh = openmc.RectilinearMesh()
-rectilinear_mesh.x_grid = np.linspace(1, 2, num=30)
-rectilinear_mesh.y_grid = np.linspace(1, 2, num=30)
-rectilinear_mesh.z_grid = np.linspace(1, 2, num=30)
+rectilinear_mesh.x_grid = np.linspace(-10, 10, 6)
+rectilinear_mesh.y_grid = np.logspace(0, 1, 7)
+rectilinear_mesh.y_grid = \
+    np.concatenate((-rectilinear_mesh.y_grid[::-1], rectilinear_mesh.y_grid))
+rectilinear_mesh.z_grid = np.linspace(-10, 10, 11)
 
 cylinder_mesh = openmc.CylindricalMesh()
-cylinder_mesh.r_grid = np.linspace(1, 2, num=30)
-cylinder_mesh.phi_grid = np.linspace(0, np.pi, num=50)
-cylinder_mesh.z_grid = np.linspace(0, 1, num=30)
+cylinder_mesh.r_grid = np.linspace(0, 10, 23)
+cylinder_mesh.phi_grid = np.linspace(0, np.pi, 21)
+cylinder_mesh.z_grid = np.linspace(0, 1, 15)
 
 spherical_mesh = openmc.SphericalMesh()
-spherical_mesh.r_grid = np.linspace(1, 2, num=30)
-spherical_mesh.phi_grid = np.linspace(0, np.pi, num=50)
-spherical_mesh.theta_grid = np.linspace(0, np.pi / 2, num=30)
+spherical_mesh.r_grid = np.linspace(1, 10, 30)
+spherical_mesh.phi_grid = np.linspace(0, np.pi, 25)
+spherical_mesh.theta_grid = np.linspace(0, np.pi / 2, 15)
+
+MESHES =  [cylinder_mesh, regular_mesh, rectilinear_mesh, spherical_mesh]
+
+x_plane = openmc.XPlane(x0=-0.001, boundary_type='vacuum')
+y_plane = openmc.YPlane(y0=-0.001, boundary_type='vacuum')
+z_plane = openmc.ZPlane(z0=-0.001, boundary_type='vacuum')
+
+SURFS = [x_plane, y_plane, z_plane]
 
 
-@pytest.mark.parametrize("mesh", [cylinder_mesh, regular_mesh, rectilinear_mesh, spherical_mesh])
+def ids(mesh):
+    if isinstance(mesh, openmc.CylindricalMesh):
+        return 'cylindrical_mesh'
+    elif isinstance(mesh, openmc.RegularMesh):
+        return 'regular_mesh'
+    elif isinstance(mesh, openmc.RectilinearMesh):
+        return 'rectilinear_mesh'
+    elif isinstance(mesh, openmc.SphericalMesh):
+        return 'spherical_mesh'
+
+
+@pytest.mark.parametrize("mesh", MESHES, ids=ids)
 def test_write_data_to_vtk(mesh, tmpdir):
     # BUILD
     filename = Path(tmpdir) / "out.vtk"
@@ -69,7 +119,7 @@ def test_write_data_to_vtk(mesh, tmpdir):
     assert all(data1 == 1.0)
 
 
-@pytest.mark.parametrize("mesh", [cylinder_mesh, regular_mesh, rectilinear_mesh, spherical_mesh])
+@pytest.mark.parametrize("mesh", MESHES, ids=ids)
 def test_write_data_to_vtk_size_mismatch(mesh):
     """Checks that an error is raised when the size of the dataset
     doesn't match the mesh number of cells
@@ -92,6 +142,7 @@ def test_write_data_to_vtk_size_mismatch(mesh):
     with pytest.raises(ValueError, match=expected_error_msg):
         mesh.write_data_to_vtk(filename="out.vtk", datasets={"label": data})
 
+<<<<<<< HEAD
 def test_write_data_to_vtk_round_trip(run_in_tmpdir):
     cmesh = openmc.CylindricalMesh()
     cmesh.r_grid = (0.0, 1.0, 2.0)
@@ -149,3 +200,82 @@ def test_write_data_to_vtk_round_trip(run_in_tmpdir):
 
         # checks that the vtk cell values are equal to the data
         assert np.array_equal(vtk_values, data)
+=======
+
+def mesh_surf_id(param):
+
+    if isinstance(param, openmc.MeshBase):
+        return ids(param)
+
+    if isinstance(param, openmc.XPlane):
+        return 'XPlane'
+    elif isinstance(param, openmc.YPlane):
+        return 'YPlane'
+    elif isinstance(param, openmc.ZPlane):
+        return 'ZPlane'
+
+
+@pytest.mark.parametrize("mesh,surface", product(MESHES, SURFS), ids=mesh_surf_id)
+def test_vtk_write_ordering(model, mesh, surface):
+
+    tally = openmc.Tally()
+    tally.scores = ['flux']
+    # use the mesh on the specified tally
+    mesh_filter = openmc.MeshFilter(mesh)
+    tally.filters = [mesh_filter]
+
+    model.tallies = openmc.Tallies([tally])
+
+    # run the problem
+    sp_filename = model.run()
+
+    with openmc.StatePoint(sp_filename) as sp:
+        mean = sp.tallies[tally.id].mean
+
+    # write the data to a VTK file
+    vtk_filename = 'test.vtk'
+    mesh.write_data_to_vtk(vtk_filename, datasets={'mean': mean})
+
+     # read file
+    reader = vtk.vtkStructuredGridReader()
+    reader.SetFileName(str(vtk_filename))
+    reader.Update()
+
+    # check name of datasets
+    vtk_grid = reader.GetOutput()
+    array = vtk_grid.GetCellData().GetArray(0)
+    vtk_data = nps.vtk_to_numpy(array)
+
+    # convenience function for determining if a mesh
+    # element has vertices in the geometry. This
+    # particular geometry allows us to assume that tally results
+    # in the element should be zero if none of its vertices lie in the geometry
+    def in_geom(cell):
+        point_ids = cell.GetPointIds()
+
+        for i in range(point_ids.GetNumberOfIds()):
+            p = vtk_grid.GetPoint(point_ids.GetId(i))
+            if model.geometry.find(p):
+                return True
+
+        return False
+
+    # reshape mean according to mesh dimensions
+    mean = mean.reshape(mesh.dimension[::-1]).T
+    centroid = [0.0, 0.0, 0.0]
+
+    # check that tally and vtk array results are zero where expected
+    for ijk in mesh.indices:
+        ijk = tuple(n - 1 for n in ijk)
+        # get the cell from the stuctured mesh object
+        cell = vtk_grid.GetCell(*ijk)
+        if not in_geom(cell):
+            cell.GetCentroid(centroid)
+            err_msg = f'IJK: {ijk} should be zero but is not. Centroid: {centroid}'
+            assert mean[ijk] == 0.0, err_msg
+
+            # need to get flat index with axes reversed due to ordering passed into the VTK file
+            flat_idx = np.ravel_multi_index(tuple(ijk[::-1]), mesh.dimension[::-1])
+            assert vtk_data[flat_idx] == 0.0, err_msg
+
+>>>>>>> 641319115 (Correcting spherical to cartesian coordinate conversion)

From ae57ad0e5be45619f260a3cd3d3df911467ec628 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Mon, 6 Mar 2023 23:39:15 -0600
Subject: [PATCH 1630/2654] Improving test coverage for mesh to vtk capability

---
 tests/unit_tests/test_mesh_to_vtk.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/tests/unit_tests/test_mesh_to_vtk.py b/tests/unit_tests/test_mesh_to_vtk.py
index 06a5606e7..22cdf1c1e 100644
--- a/tests/unit_tests/test_mesh_to_vtk.py
+++ b/tests/unit_tests/test_mesh_to_vtk.py
@@ -56,7 +56,7 @@ cylinder_mesh.z_grid = np.linspace(0, 1, 15)
 
 spherical_mesh = openmc.SphericalMesh()
 spherical_mesh.r_grid = np.linspace(1, 10, 30)
-spherical_mesh.phi_grid = np.linspace(0, np.pi, 25)
+spherical_mesh.phi_grid = np.linspace(0, 0.8*np.pi, 25)
 spherical_mesh.theta_grid = np.linspace(0, np.pi / 2, 15)
 
 MESHES =  [cylinder_mesh, regular_mesh, rectilinear_mesh, spherical_mesh]

From 285edc77b982e7abf9f89511ee2e82a59b686e53 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Wed, 8 Mar 2023 22:47:40 -0600
Subject: [PATCH 1631/2654] Corrections after rebase

---
 tests/unit_tests/test_mesh_to_vtk.py | 4 ----
 1 file changed, 4 deletions(-)

diff --git a/tests/unit_tests/test_mesh_to_vtk.py b/tests/unit_tests/test_mesh_to_vtk.py
index 22cdf1c1e..80da85d97 100644
--- a/tests/unit_tests/test_mesh_to_vtk.py
+++ b/tests/unit_tests/test_mesh_to_vtk.py
@@ -142,7 +142,6 @@ def test_write_data_to_vtk_size_mismatch(mesh):
     with pytest.raises(ValueError, match=expected_error_msg):
         mesh.write_data_to_vtk(filename="out.vtk", datasets={"label": data})
 
-<<<<<<< HEAD
 def test_write_data_to_vtk_round_trip(run_in_tmpdir):
     cmesh = openmc.CylindricalMesh()
     cmesh.r_grid = (0.0, 1.0, 2.0)
@@ -200,7 +199,6 @@ def test_write_data_to_vtk_round_trip(run_in_tmpdir):
 
         # checks that the vtk cell values are equal to the data
         assert np.array_equal(vtk_values, data)
-=======
 
 def mesh_surf_id(param):
 
@@ -277,5 +275,3 @@ def test_vtk_write_ordering(model, mesh, surface):
             # need to get flat index with axes reversed due to ordering passed into the VTK file
             flat_idx = np.ravel_multi_index(tuple(ijk[::-1]), mesh.dimension[::-1])
             assert vtk_data[flat_idx] == 0.0, err_msg
-
->>>>>>> 641319115 (Correcting spherical to cartesian coordinate conversion)

From a23a6c59283bedc3e5215857a8d14c92343903e5 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 16 Mar 2023 09:26:23 -0500
Subject: [PATCH 1632/2654] Improve error message when parallel HDF5 is found
 but MPI not enabled

---
 CMakeLists.txt | 6 +++---
 1 file changed, 3 insertions(+), 3 deletions(-)

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 11ae71ac6..0dcaa6fb3 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -156,9 +156,9 @@ endif()
 find_package(HDF5 REQUIRED COMPONENTS C HL)
 if(HDF5_IS_PARALLEL)
   if(NOT OPENMC_USE_MPI)
-    message(FATAL_ERROR "Parallel HDF5 was detected, but the detected compiler,\
-     ${CMAKE_CXX_COMPILER}, does not support MPI. An MPI-capable compiler must \
-     be used with parallel HDF5.")
+    message(FATAL_ERROR "Parallel HDF5 was detected, but MPI was not enabled.\
+      To use parallel HDF5, OpenMC needs to be built with MPI support by passing\
+      -DOPENMC_USE_MPI=ON when calling cmake.")
   endif()
   message(STATUS "Using parallel HDF5")
 endif()

From 3e6441a0d9cae4e83edd3205e421e13bb063d4b6 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 16 Mar 2023 09:45:29 -0500
Subject: [PATCH 1633/2654] Address @shimwell comments on #2412

---
 openmc/material.py    | 12 ++++++++----
 openmc/model/model.py |  2 +-
 2 files changed, 9 insertions(+), 5 deletions(-)

diff --git a/openmc/material.py b/openmc/material.py
index 4004b77d9..a2c6138d2 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -1046,7 +1046,8 @@ class Material(IDManagerMixin):
             Specifies if the activity should be returned for the material as a
             whole or per nuclide. Default is False.
         volume : float, optional
-            Volume of the material if not assigned directly
+            Volume of the material. If not passed, defaults to using the
+            :attr:`Material.volume` attribute.
 
             .. versionadded:: 0.13.3
 
@@ -1092,7 +1093,8 @@ class Material(IDManagerMixin):
             Specifies if the decay heat should be returned for the material as a
             whole or per nuclide. Default is False.
         volume : float, optional
-            Volume of the material if not assigned directly
+            Volume of the material. If not passed, defaults to using the
+            :attr:`Material.volume` attribute.
 
             .. versionadded:: 0.13.3
 
@@ -1131,7 +1133,8 @@ class Material(IDManagerMixin):
         Parameters
         ----------
         volume : float, optional
-            Volume of the material if not assigned directly
+            Volume of the material. If not passed, defaults to using the
+            :attr:`Material.volume` attribute.
 
             .. versionadded:: 0.13.3
 
@@ -1185,7 +1188,8 @@ class Material(IDManagerMixin):
             Nuclide for which mass is desired. If not specified, the density
             for the entire material is given.
         volume : float, optional
-            Volume of the material if not assigned directly
+            Volume of the material. If not passed, defaults to using the
+            :attr:`Material.volume` attribute.
 
             .. versionadded:: 0.13.3
 
diff --git a/openmc/model/model.py b/openmc/model/model.py
index 79708d62b..45cbf8227 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -244,7 +244,7 @@ class Model:
     def from_model_xml(cls, path='model.xml'):
         """Create model from single XML file
 
-        .. vesionadded:: 0.13.3
+        .. versionadded:: 0.13.3
 
         Parameters
         ----------

From 2d20cd31f25c3949218dbb9a3a6350be5c961319 Mon Sep 17 00:00:00 2001
From: "Paul P.H. Wilson" <paul.wilson@wisc.edu>
Date: Thu, 16 Mar 2023 14:37:05 -0500
Subject: [PATCH 1634/2654] initialize Discrete distribution with sequence of
 integers

---
 include/openmc/distribution.h |  1 +
 src/distribution.cpp          | 13 +++++++++++++
 2 files changed, 14 insertions(+)

diff --git a/include/openmc/distribution.h b/include/openmc/distribution.h
index 815ffa21a..86aa4a381 100644
--- a/include/openmc/distribution.h
+++ b/include/openmc/distribution.h
@@ -39,6 +39,7 @@ class Discrete : public Distribution {
 public:
   explicit Discrete(pugi::xml_node node);
   Discrete(const double* x, const double* p, int n);
+  Discrete(const double* p, int n);
 
   //! Sample a value from the distribution
   //! \param seed Pseudorandom number seed pointer
diff --git a/src/distribution.cpp b/src/distribution.cpp
index 4b4ebd69d..ce2a85705 100644
--- a/src/distribution.cpp
+++ b/src/distribution.cpp
@@ -41,6 +41,19 @@ Discrete::Discrete(const double* x, const double* p, int n)
   this->init_alias(x_vec, p_vec);
 }
 
+Discrete::Discrete(const double* p, int n)
+{
+  std::vector<double> p_vec(p, p + n);
+  std::vector<double> x_vec(n);
+
+  for (int i=0; i<n; i++) 
+  {
+    x_vec[i] = i;
+  }
+
+  this->init_alias(x_vec, p_vec);
+}
+
 void Discrete::init_alias(vector<double>& x, vector<double>& p)
 {
   x_ = x;

From ee6975767d98f84133a0e4df3e443800a068fc32 Mon Sep 17 00:00:00 2001
From: "Paul P.H. Wilson" <paul.wilson@wisc.edu>
Date: Thu, 16 Mar 2023 17:34:44 -0500
Subject: [PATCH 1635/2654] Use Discrete distribution for mesh sampling

This version builds the independent variable by
converting int to double and then converts back
when sampling.
---
 include/openmc/distribution_spatial.h |  6 +-----
 src/distribution_spatial.cpp          | 27 ++-------------------------
 2 files changed, 3 insertions(+), 30 deletions(-)

diff --git a/include/openmc/distribution_spatial.h b/include/openmc/distribution_spatial.h
index a8cc7c58e..63cbbb956 100644
--- a/include/openmc/distribution_spatial.h
+++ b/include/openmc/distribution_spatial.h
@@ -114,11 +114,7 @@ public:
 
 private:
   int32_t mesh_idx_ {C_NONE};
-  double total_strength_ {0.0};
-  // TODO: move to an independent class in the future that's similar
-  // to a discrete distribution without outcomes
-  std::vector<double> mesh_CDF_;
-  std::vector<double> mesh_strengths_;
+  UPtrDist elem_idx_; //!< Distribution of mesh element indices
 };
 
 //==============================================================================
diff --git a/src/distribution_spatial.cpp b/src/distribution_spatial.cpp
index fb1fbf099..206f0b597 100644
--- a/src/distribution_spatial.cpp
+++ b/src/distribution_spatial.cpp
@@ -212,10 +212,6 @@ MeshSpatial::MeshSpatial(pugi::xml_node node)
   int32_t n_bins = this->n_sources();
   std::vector<double> strengths(n_bins, 0.0);
 
-  mesh_CDF_.resize(n_bins + 1);
-  mesh_CDF_[0] = {0.0};
-  total_strength_ = 0.0;
-
   // Create cdfs for sampling for an element over a mesh
   // Volume scheme is weighted by the volume of each tet
   // File scheme is weighted by an array given in the xml file
@@ -228,28 +224,9 @@ MeshSpatial::MeshSpatial(pugi::xml_node node)
                     "not match the number of entities in mesh {} ({}).",
           strengths.size(), mesh_id, n_bins));
     }
-    mesh_strengths_ = std::move(strengths);
+    elem_idx_ = UPtrDist {new Discrete {strengths, n_bins}};
   }
 
-  if (get_node_value_bool(node, "volume_normalized")) {
-    for (int i = 0; i < n_bins; i++) {
-      mesh_strengths_[i] *= mesh()->volume(i);
-    }
-  }
-
-  total_strength_ =
-    std::accumulate(mesh_strengths_.begin(), mesh_strengths_.end(), 0.0);
-
-  for (int i = 0; i < n_bins; i++) {
-    mesh_CDF_[i + 1] = mesh_CDF_[i] + mesh_strengths_[i] / total_strength_;
-  }
-
-  if (fabs(mesh_CDF_.back() - 1.0) > FP_COINCIDENT) {
-    fatal_error(
-      fmt::format("Mesh sampling CDF is incorrectly formed. Final value is: {}",
-        mesh_CDF_.back()));
-  }
-  mesh_CDF_.back() = 1.0;
 }
 
 Position MeshSpatial::sample(uint64_t* seed) const
@@ -257,7 +234,7 @@ Position MeshSpatial::sample(uint64_t* seed) const
   // Create random variable for sampling element from mesh
   double eta = prn(seed);
   // Sample over the CDF defined in initialization above
-  int32_t elem_idx = lower_bound_index(mesh_CDF_.begin(), mesh_CDF_.end(), eta);
+  int32_t elem_idx = elem_idx_->sample(eta);
   return mesh()->sample(seed, elem_idx);
 }
 

From db92a64ec984b647fc71fcabb5c75288570d80a4 Mon Sep 17 00:00:00 2001
From: "Paul P.H. Wilson" <paul.wilson@wisc.edu>
Date: Thu, 16 Mar 2023 17:51:41 -0500
Subject: [PATCH 1636/2654] rename variable for clarity; re-add volume
 normalization

---
 include/openmc/distribution_spatial.h |  2 +-
 src/distribution_spatial.cpp          | 11 +++++++++--
 2 files changed, 10 insertions(+), 3 deletions(-)

diff --git a/include/openmc/distribution_spatial.h b/include/openmc/distribution_spatial.h
index 63cbbb956..dc1d898fe 100644
--- a/include/openmc/distribution_spatial.h
+++ b/include/openmc/distribution_spatial.h
@@ -114,7 +114,7 @@ public:
 
 private:
   int32_t mesh_idx_ {C_NONE};
-  UPtrDist elem_idx_; //!< Distribution of mesh element indices
+  UPtrDist elem_idx_dist_; //!< Distribution of mesh element indices
 };
 
 //==============================================================================
diff --git a/src/distribution_spatial.cpp b/src/distribution_spatial.cpp
index 206f0b597..544734d3b 100644
--- a/src/distribution_spatial.cpp
+++ b/src/distribution_spatial.cpp
@@ -224,8 +224,15 @@ MeshSpatial::MeshSpatial(pugi::xml_node node)
                     "not match the number of entities in mesh {} ({}).",
           strengths.size(), mesh_id, n_bins));
     }
-    elem_idx_ = UPtrDist {new Discrete {strengths, n_bins}};
   }
+ 
+ if (get_node_value_bool(node, "volume_normalized")) {
+    for (int i = 0; i < n_bins; i++) {
+      strengths[i] *= mesh()->volume(i);
+    }
+  }
+
+  elem_idx_dist_ = UPtrDist {new Discrete {strengths, n_bins}};
 
 }
 
@@ -234,7 +241,7 @@ Position MeshSpatial::sample(uint64_t* seed) const
   // Create random variable for sampling element from mesh
   double eta = prn(seed);
   // Sample over the CDF defined in initialization above
-  int32_t elem_idx = elem_idx_->sample(eta);
+  int32_t elem_idx = elem_idx_dist_->sample(eta);
   return mesh()->sample(seed, elem_idx);
 }
 

From 09d068fa81abeebd44994422437f44caa34331d5 Mon Sep 17 00:00:00 2001
From: "Paul P.H. Wilson" <paul.wilson@wisc.edu>
Date: Thu, 16 Mar 2023 21:16:59 -0500
Subject: [PATCH 1637/2654] syntax fixes

---
 src/distribution_spatial.cpp | 7 ++-----
 1 file changed, 2 insertions(+), 5 deletions(-)

diff --git a/src/distribution_spatial.cpp b/src/distribution_spatial.cpp
index 544734d3b..7c5b2ed64 100644
--- a/src/distribution_spatial.cpp
+++ b/src/distribution_spatial.cpp
@@ -215,7 +215,6 @@ MeshSpatial::MeshSpatial(pugi::xml_node node)
   // Create cdfs for sampling for an element over a mesh
   // Volume scheme is weighted by the volume of each tet
   // File scheme is weighted by an array given in the xml file
-  mesh_strengths_ = std::vector<double>(n_bins, 1.0);
   if (check_for_node(node, "strengths")) {
     strengths = get_node_array<double>(node, "strengths");
     if (strengths.size() != n_bins) {
@@ -232,16 +231,14 @@ MeshSpatial::MeshSpatial(pugi::xml_node node)
     }
   }
 
-  elem_idx_dist_ = UPtrDist {new Discrete {strengths, n_bins}};
+  elem_idx_dist_ = UPtrDist {new Discrete {strengths.data(), n_bins}};
 
 }
 
 Position MeshSpatial::sample(uint64_t* seed) const
 {
-  // Create random variable for sampling element from mesh
-  double eta = prn(seed);
   // Sample over the CDF defined in initialization above
-  int32_t elem_idx = elem_idx_dist_->sample(eta);
+  int32_t elem_idx = elem_idx_dist_->sample(seed);
   return mesh()->sample(seed, elem_idx);
 }
 

From c275933aae2e3fc035a4cdb9e9eee98755479851 Mon Sep 17 00:00:00 2001
From: Chris Keckler <keckler@berkeley.edu>
Date: Thu, 16 Mar 2023 21:24:53 -0700
Subject: [PATCH 1638/2654] Fix small typo in error message

---
 openmc/model/model.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/model/model.py b/openmc/model/model.py
index 625094cce..ec35ab49f 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -636,7 +636,7 @@ class Model:
 
         if len(self.settings.volume_calculations) == 0:
             # Then there is no volume calculation specified
-            raise ValueError("The Settings.volume_calculation attribute must"
+            raise ValueError("The Settings.volume_calculations attribute must"
                              " be specified before executing this method!")
 
         with _change_directory(Path(cwd)):

From 29b57486871f39fc28a9e336ffc98e64afacc561 Mon Sep 17 00:00:00 2001
From: "Paul P.H. Wilson" <paul.wilson@wisc.edu>
Date: Fri, 17 Mar 2023 08:27:09 -0500
Subject: [PATCH 1639/2654] reduce temporary memory use for potentially large
 data

---
 include/openmc/distribution.h |  2 +-
 src/distribution.cpp          | 28 ++++++++++++++--------------
 2 files changed, 15 insertions(+), 15 deletions(-)

diff --git a/include/openmc/distribution.h b/include/openmc/distribution.h
index 86aa4a381..34744b3e3 100644
--- a/include/openmc/distribution.h
+++ b/include/openmc/distribution.h
@@ -61,7 +61,7 @@ private:
   void normalize();
 
   //! Initialize alias tables for distribution
-  void init_alias(vector<double>& x, vector<double>& p);
+  void init_alias();
 };
 
 //==============================================================================
diff --git a/src/distribution.cpp b/src/distribution.cpp
index ce2a85705..e2e113826 100644
--- a/src/distribution.cpp
+++ b/src/distribution.cpp
@@ -26,38 +26,38 @@ Discrete::Discrete(pugi::xml_node node)
 {
   auto params = get_node_array<double>(node, "parameters");
 
-  std::size_t n = params.size();
-  std::vector<double> x_vec(params.begin(), params.begin() + n / 2);
-  std::vector<double> p_vec(params.begin() + n / 2, params.end());
+  std::size_t n = params.size()/2;
 
-  this->init_alias(x_vec, p_vec);
+  x_.assign(params.begin(), params.begin() + n);
+  prob_.assign(params.begin() + n, params.end());
+
+  this->init_alias();
 }
 
 Discrete::Discrete(const double* x, const double* p, int n)
 {
-  std::vector<double> x_vec(x, x + n);
-  std::vector<double> p_vec(p, p + n);
+  
+  x_.assign(x, x + n);
+  prob_.assign(p, p + n);
 
-  this->init_alias(x_vec, p_vec);
+  this->init_alias();
 }
 
 Discrete::Discrete(const double* p, int n)
 {
-  std::vector<double> p_vec(p, p + n);
-  std::vector<double> x_vec(n);
+  prob_.assign(p, p + n);
+  x_.resize(n);
 
   for (int i=0; i<n; i++) 
   {
-    x_vec[i] = i;
+    x_[i] = i;
   }
 
-  this->init_alias(x_vec, p_vec);
+  this->init_alias();
 }
 
-void Discrete::init_alias(vector<double>& x, vector<double>& p)
+void Discrete::init_alias()
 {
-  x_ = x;
-  prob_ = p;
   normalize();
 
   // The initialization and sampling method is based on Vose

From b20dda710b36798d078559fac4eee16c9cdfe6cd Mon Sep 17 00:00:00 2001
From: "Paul P.H. Wilson" <paul.wilson@wisc.edu>
Date: Fri, 17 Mar 2023 12:58:53 -0500
Subject: [PATCH 1640/2654] change initialization of strengths

---
 src/distribution_spatial.cpp | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/src/distribution_spatial.cpp b/src/distribution_spatial.cpp
index 7c5b2ed64..8060527a8 100644
--- a/src/distribution_spatial.cpp
+++ b/src/distribution_spatial.cpp
@@ -210,7 +210,7 @@ MeshSpatial::MeshSpatial(pugi::xml_node node)
   }
 
   int32_t n_bins = this->n_sources();
-  std::vector<double> strengths(n_bins, 0.0);
+  std::vector<double> strengths(n_bins, 1.0);
 
   // Create cdfs for sampling for an element over a mesh
   // Volume scheme is weighted by the volume of each tet

From 487f02dd1dddfa09e51a3a2b78b70947aafec1be Mon Sep 17 00:00:00 2001
From: guyshtot <guyshtot@gmail.com>
Date: Tue, 21 Mar 2023 13:18:24 +0200
Subject: [PATCH 1641/2654] Add option to specify nuclides in the Library class

---
 openmc/mgxs/library.py | 32 ++++++++++++++++++++++++++++++++
 1 file changed, 32 insertions(+)

diff --git a/openmc/mgxs/library.py b/openmc/mgxs/library.py
index efe8dbe84..063134f7a 100644
--- a/openmc/mgxs/library.py
+++ b/openmc/mgxs/library.py
@@ -72,6 +72,11 @@ class Library:
         Number of equi-width polar angle bins for angle discretization
     num_azimuthal : Integral
         Number of equi-width azimuthal angle bins for angle discretization
+    nuclides : Iterable of str or 'sum'
+        The optional user-specified nuclides for which to compute cross
+        sections (e.g., 'U238', 'O16'). If by_nuclide is True but nuclides
+        are not specified by the user, all nuclides in the domain
+        are included.
     estimator : str or None
         The tally estimator used to compute multi-group cross sections.
         If None, the default for each MGXS type is used.
@@ -107,6 +112,7 @@ class Library:
         self._energy_groups = None
         self._num_polar = 1
         self._num_azimuthal = 1
+        self._nuclides = None
         self._num_delayed_groups = 0
         self._correction = 'P0'
         self._scatter_format = 'legendre'
@@ -145,6 +151,7 @@ class Library:
             clone._energy_groups = copy.deepcopy(self.energy_groups, memo)
             clone._num_polar = self.num_polar
             clone._num_azimuthal = self.num_azimuthal
+            clone._nuclides = self._nuclides
             clone._num_delayed_groups = self.num_delayed_groups
             clone._tally_trigger = copy.deepcopy(self.tally_trigger, memo)
             clone._all_mgxs = copy.deepcopy(self.all_mgxs)
@@ -206,6 +213,14 @@ class Library:
             return self._domains
 
     @property
+    def nuclides(self):
+        if self.by_nuclide and self._nuclides:
+            return self._nuclides
+        elif self.by_nuclide:
+            raise ValueError("Nuclides weren't defined")
+        else:
+            return 'sum'
+    @property
     def energy_groups(self):
         return self._energy_groups
 
@@ -275,6 +290,11 @@ class Library:
         cv.check_type('name', name, str)
         self._name = name
 
+    @nuclides.setter
+    def nuclides(self, nuclides):
+        cv.check_type('nuclides', nuclides, str)
+        self._nuclides = nuclides
+
     @mgxs_types.setter
     def mgxs_types(self, mgxs_types):
         all_mgxs_types = openmc.mgxs.MGXS_TYPES + openmc.mgxs.MDGXS_TYPES + \
@@ -524,6 +544,18 @@ class Library:
                     mgxs.legendre_order = self.legendre_order
                     mgxs.histogram_bins = self.histogram_bins
 
+                if self.by_nuclide:
+                    try:
+                        domain_nuclides = domain.get_nuclides()
+                    except AttributeError:
+                        domain_nuclides = None
+                    if self._nuclides:
+                        if domain_nuclides:
+                            mgxs.nuclides = [nuclide for nuclide in self.nuclides if nuclide in domain_nuclides] + [
+                                "total"]
+                        else:
+                            mgxs.nuclides = self._nuclides
+
                 self.all_mgxs[domain.id][mgxs_type] = mgxs
 
     def add_to_tallies_file(self, tallies_file, merge=True):

From b3c7472c77b0f496a0a63e2a95af147e3f221030 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 21 Mar 2023 07:14:07 -0500
Subject: [PATCH 1642/2654] Add Python 3.11 to CI matrix

---
 .github/workflows/ci.yml | 17 ++++++++++-------
 setup.py                 |  1 +
 2 files changed, 11 insertions(+), 7 deletions(-)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index 999dea312..4ec3e7d8b 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -25,7 +25,7 @@ jobs:
     runs-on: ubuntu-22.04
     strategy:
       matrix:
-        python-version: ["3.10"]
+        python-version: ["3.11"]
         mpi: [n, y]
         omp: [n, y]
         dagmc: [n]
@@ -44,28 +44,31 @@ jobs:
           - python-version: 3.9
             omp: n
             mpi: n
+          - python-version: 3.10
+            omp: n
+            mpi: n
           - dagmc: y
-            python-version: "3.10"
+            python-version: "3.11"
             mpi: y
             omp: y
           - ncrystal: y
-            python-version: "3.10"
+            python-version: "3.11"
             mpi: n
             omp: n
           - libmesh: y
-            python-version: "3.10"
+            python-version: "3.11"
             mpi: y
             omp: y
           - libmesh: y
-            python-version: "3.10"
+            python-version: "3.11"
             mpi: n
             omp: y
           - event: y
-            python-version: "3.10"
+            python-version: "3.11"
             omp: y
             mpi: n
           - vectfit: y
-            python-version: "3.10"
+            python-version: "3.11"
             omp: n
             mpi: y
     name: "Python ${{ matrix.python-version }} (omp=${{ matrix.omp }},
diff --git a/setup.py b/setup.py
index a9e863da2..29c129d7b 100755
--- a/setup.py
+++ b/setup.py
@@ -58,6 +58,7 @@ kwargs = {
         'Programming Language :: Python :: 3.8',
         'Programming Language :: Python :: 3.9',
         'Programming Language :: Python :: 3.10',
+        'Programming Language :: Python :: 3.11',
     ],
 
     # Dependencies

From 354fd34c2c5dd1fa6d47dcff623089d87128e5ca Mon Sep 17 00:00:00 2001
From: guyshtot <guyshtot@gmail.com>
Date: Tue, 21 Mar 2023 14:59:01 +0200
Subject: [PATCH 1643/2654] Renamed previous use of _nuclides to
 _atomic_weight_ratios in the library class

---
 openmc/mgxs/library.py | 18 +++++++-----------
 1 file changed, 7 insertions(+), 11 deletions(-)

diff --git a/openmc/mgxs/library.py b/openmc/mgxs/library.py
index 063134f7a..0eb00c8f1 100644
--- a/openmc/mgxs/library.py
+++ b/openmc/mgxs/library.py
@@ -214,12 +214,8 @@ class Library:
 
     @property
     def nuclides(self):
-        if self.by_nuclide and self._nuclides:
-            return self._nuclides
-        elif self.by_nuclide:
-            raise ValueError("Nuclides weren't defined")
-        else:
-            return 'sum'
+        return self._nuclides
+
     @property
     def energy_groups(self):
         return self._energy_groups
@@ -292,7 +288,7 @@ class Library:
 
     @nuclides.setter
     def nuclides(self, nuclides):
-        cv.check_type('nuclides', nuclides, str)
+        cv.check_iterable_type('nuclides', nuclides, str)
         self._nuclides = nuclides
 
     @mgxs_types.setter
@@ -549,12 +545,12 @@ class Library:
                         domain_nuclides = domain.get_nuclides()
                     except AttributeError:
                         domain_nuclides = None
-                    if self._nuclides:
+                    if self.nuclides:
                         if domain_nuclides:
                             mgxs.nuclides = [nuclide for nuclide in self.nuclides if nuclide in domain_nuclides] + [
                                 "total"]
                         else:
-                            mgxs.nuclides = self._nuclides
+                            mgxs.nuclides = self.nuclides
 
                 self.all_mgxs[domain.id][mgxs_type] = mgxs
 
@@ -622,7 +618,7 @@ class Library:
 
         self._sp_filename = statepoint._f.filename
         self._geometry = statepoint.summary.geometry
-        self._nuclides = statepoint.summary.nuclides
+        self._atomic_weight_ratios = statepoint.summary.nuclides
 
         if statepoint.run_mode == 'eigenvalue':
             self._keff = statepoint.keff.n
@@ -1037,7 +1033,7 @@ class Library:
             xsdata.num_azimuthal = self.num_azimuthal
 
         if nuclide != 'total':
-            xsdata.atomic_weight_ratio = self._nuclides[nuclide]
+            xsdata.atomic_weight_ratio = self._atomic_weight_ratios[nuclide]
 
         if subdomain is None:
             subdomain = 'all'

From 3032ad7f3705468a40a0a4b2b7ef0ba3995dd2bb Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 21 Mar 2023 09:37:39 -0500
Subject: [PATCH 1644/2654] Stick with 3.10 as default, add single 3.11 job

---
 .github/workflows/ci.yml | 16 ++++++++--------
 1 file changed, 8 insertions(+), 8 deletions(-)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index 4ec3e7d8b..82bd70a62 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -25,7 +25,7 @@ jobs:
     runs-on: ubuntu-22.04
     strategy:
       matrix:
-        python-version: ["3.11"]
+        python-version: ["3.10"]
         mpi: [n, y]
         omp: [n, y]
         dagmc: [n]
@@ -44,31 +44,31 @@ jobs:
           - python-version: 3.9
             omp: n
             mpi: n
-          - python-version: 3.10
+          - python-version: "3.11"
             omp: n
             mpi: n
           - dagmc: y
-            python-version: "3.11"
+            python-version: "3.10"
             mpi: y
             omp: y
           - ncrystal: y
-            python-version: "3.11"
+            python-version: "3.10"
             mpi: n
             omp: n
           - libmesh: y
-            python-version: "3.11"
+            python-version: "3.10"
             mpi: y
             omp: y
           - libmesh: y
-            python-version: "3.11"
+            python-version: "3.10"
             mpi: n
             omp: y
           - event: y
-            python-version: "3.11"
+            python-version: "3.10"
             omp: y
             mpi: n
           - vectfit: y
-            python-version: "3.11"
+            python-version: "3.10"
             omp: n
             mpi: y
     name: "Python ${{ matrix.python-version }} (omp=${{ matrix.omp }},

From cf8d9ef313d2a58fd52705d4c48e203143c98a20 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 21 Mar 2023 13:15:28 -0500
Subject: [PATCH 1645/2654] Handle zero photon cross sections in
 IncidentPhoton.from_ace properly

---
 openmc/data/photon.py |  9 ++++++---
 src/photon.cpp        | 10 +++++++---
 2 files changed, 13 insertions(+), 6 deletions(-)

diff --git a/openmc/data/photon.py b/openmc/data/photon.py
index fc5da19eb..e83ff844d 100644
--- a/openmc/data/photon.py
+++ b/openmc/data/photon.py
@@ -514,13 +514,13 @@ class IncidentPhoton(EqualityMixin):
 
         # Read each reaction
         data = cls(Z)
-        for mt in (502, 504, 515, 522, 525):
+        for mt in (502, 504, 517, 522, 525):
             data.reactions[mt] = PhotonReaction.from_ace(ace, mt)
 
         # Get heating cross sections [eV-barn] from factors [eV per collision]
         # by multiplying with total xs
         data.reactions[525].xs.y *= sum([data.reactions[mt].xs.y for mt in
-                                         (502, 504, 515, 522)])
+                                         (502, 504, 517, 522)])
 
         # Compton profiles
         n_shell = ace.nxs[5]
@@ -1000,7 +1000,7 @@ class PhotonReaction(EqualityMixin):
         elif mt == 504:
             # Incoherent scattering
             idx = ace.jxs[1] + n
-        elif mt == 515:
+        elif mt == 517:
             # Pair production
             idx = ace.jxs[1] + 4*n
         elif mt == 522:
@@ -1021,6 +1021,9 @@ class PhotonReaction(EqualityMixin):
         else:
             nonzero = (xs != 0.0)
             xs[nonzero] = np.exp(xs[nonzero])
+
+            # Replace zero elements to small non-zero to enable log-log
+            xs[~nonzero] = np.exp(-500.0)
         rx.xs = Tabulated1D(energy, xs, [n], [5])
 
         # Get form factors for incoherent/coherent scattering
diff --git a/src/photon.cpp b/src/photon.cpp
index c4beff019..08062a2e9 100644
--- a/src/photon.cpp
+++ b/src/photon.cpp
@@ -91,9 +91,13 @@ PhotonInteraction::PhotonInteraction(hid_t group)
   close_group(rgroup);
 
   // Read pair production
-  rgroup = open_group(group, "pair_production_electron");
-  read_dataset(rgroup, "xs", pair_production_electron_);
-  close_group(rgroup);
+  if (object_exists(group, "pair_production_electron")) {
+    rgroup = open_group(group, "pair_production_electron");
+    read_dataset(rgroup, "xs", pair_production_electron_);
+    close_group(rgroup);
+  } else {
+    pair_production_electron_ = xt::zeros_like(energy_);
+  }
 
   // Read pair production
   if (object_exists(group, "pair_production_nuclear")) {

From bb5f727f85325cc2d4e94d00b1940c9d744dd568 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 21 Mar 2023 13:48:22 -0500
Subject: [PATCH 1646/2654] Update IO format docs for meshes

---
 docs/source/io_formats/statepoint.rst | 17 +++++++++++------
 1 file changed, 11 insertions(+), 6 deletions(-)

diff --git a/docs/source/io_formats/statepoint.rst b/docs/source/io_formats/statepoint.rst
index c0db5ea92..09b1b1144 100644
--- a/docs/source/io_formats/statepoint.rst
+++ b/docs/source/io_formats/statepoint.rst
@@ -72,12 +72,17 @@ The current version of the statepoint file format is 17.0.
 
 :Datasets: - **type** (*char[]*) -- Type of mesh.
            - **dimension** (*int*) -- Number of mesh cells in each dimension.
-           - **lower_left** (*double[]*) -- Coordinates of lower-left corner of
-             mesh.
-           - **upper_right** (*double[]*) -- Coordinates of upper-right corner
-             of mesh.
-           - **width** (*double[]*) -- Width of each mesh cell in each
-             dimension.
+           - **Regular Mesh Only:**
+              - **lower_left** (*double[]*) -- Coordinates of lower-left corner of
+                mesh.
+              - **upper_right** (*double[]*) -- Coordinates of upper-right corner
+                of mesh.
+              - **width** (*double[]*) -- Width of each mesh cell in each
+                dimension.
+           - **Rectilinear Mesh Only:**
+              - **x_grid** (*double[]*) -- Mesh divisions along the x-axis.
+              - **y_grid** (*double[]*) -- Mesh divisions along the y-axis.
+              - **z_grid** (*double[]*) -- Mesh divisions along the z-axis.
            - **Cylindrical & Spherical Mesh Only:**
               - **r_grid** (*double[]*) -- The mesh divisions along the r-axis.
               - **phi_grid** (*double[]*) -- The mesh divisions along the phi-axis.

From 38ca9b2f7cfdc71091d02b6bfe47ca19db33964d Mon Sep 17 00:00:00 2001
From: "Paul P.H. Wilson" <paul.wilson@wisc.edu>
Date: Tue, 21 Mar 2023 15:43:43 -0400
Subject: [PATCH 1647/2654] clang format fixes

---
 src/distribution.cpp         | 7 +++----
 src/distribution_spatial.cpp | 5 ++---
 2 files changed, 5 insertions(+), 7 deletions(-)

diff --git a/src/distribution.cpp b/src/distribution.cpp
index e2e113826..0dac7af36 100644
--- a/src/distribution.cpp
+++ b/src/distribution.cpp
@@ -26,7 +26,7 @@ Discrete::Discrete(pugi::xml_node node)
 {
   auto params = get_node_array<double>(node, "parameters");
 
-  std::size_t n = params.size()/2;
+  std::size_t n = params.size() / 2;
 
   x_.assign(params.begin(), params.begin() + n);
   prob_.assign(params.begin() + n, params.end());
@@ -36,7 +36,7 @@ Discrete::Discrete(pugi::xml_node node)
 
 Discrete::Discrete(const double* x, const double* p, int n)
 {
-  
+
   x_.assign(x, x + n);
   prob_.assign(p, p + n);
 
@@ -48,8 +48,7 @@ Discrete::Discrete(const double* p, int n)
   prob_.assign(p, p + n);
   x_.resize(n);
 
-  for (int i=0; i<n; i++) 
-  {
+  for (int i = 0; i < n; i++) {
     x_[i] = i;
   }
 
diff --git a/src/distribution_spatial.cpp b/src/distribution_spatial.cpp
index 8060527a8..272f9d941 100644
--- a/src/distribution_spatial.cpp
+++ b/src/distribution_spatial.cpp
@@ -224,15 +224,14 @@ MeshSpatial::MeshSpatial(pugi::xml_node node)
           strengths.size(), mesh_id, n_bins));
     }
   }
- 
- if (get_node_value_bool(node, "volume_normalized")) {
+
+  if (get_node_value_bool(node, "volume_normalized")) {
     for (int i = 0; i < n_bins; i++) {
       strengths[i] *= mesh()->volume(i);
     }
   }
 
   elem_idx_dist_ = UPtrDist {new Discrete {strengths.data(), n_bins}};
-
 }
 
 Position MeshSpatial::sample(uint64_t* seed) const

From 9b708e7ad47292a73455e26dda134ea0c6086625 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Tue, 21 Mar 2023 14:55:42 -0500
Subject: [PATCH 1648/2654] Apply suggestions from @paulromano

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 tests/unit_tests/test_mesh_to_vtk.py | 6 ++----
 1 file changed, 2 insertions(+), 4 deletions(-)

diff --git a/tests/unit_tests/test_mesh_to_vtk.py b/tests/unit_tests/test_mesh_to_vtk.py
index 80da85d97..4c0a43877 100644
--- a/tests/unit_tests/test_mesh_to_vtk.py
+++ b/tests/unit_tests/test_mesh_to_vtk.py
@@ -59,7 +59,7 @@ spherical_mesh.r_grid = np.linspace(1, 10, 30)
 spherical_mesh.phi_grid = np.linspace(0, 0.8*np.pi, 25)
 spherical_mesh.theta_grid = np.linspace(0, np.pi / 2, 15)
 
-MESHES =  [cylinder_mesh, regular_mesh, rectilinear_mesh, spherical_mesh]
+MESHES = [cylinder_mesh, regular_mesh, rectilinear_mesh, spherical_mesh]
 
 x_plane = openmc.XPlane(x0=-0.001, boundary_type='vacuum')
 y_plane = openmc.YPlane(y0=-0.001, boundary_type='vacuum')
@@ -201,11 +201,9 @@ def test_write_data_to_vtk_round_trip(run_in_tmpdir):
         assert np.array_equal(vtk_values, data)
 
 def mesh_surf_id(param):
-
     if isinstance(param, openmc.MeshBase):
         return ids(param)
-
-    if isinstance(param, openmc.XPlane):
+    elif isinstance(param, openmc.XPlane):
         return 'XPlane'
     elif isinstance(param, openmc.YPlane):
         return 'YPlane'

From 1d9446a065f6cc5be06c614624c6c157fba44a9e Mon Sep 17 00:00:00 2001
From: "Paul P.H. Wilson" <paul.wilson@wisc.edu>
Date: Tue, 21 Mar 2023 16:14:38 -0400
Subject: [PATCH 1649/2654] introduce method to sample discrete index and use
 in various places

---
 include/openmc/distribution.h         | 34 ++++++++++---
 include/openmc/distribution_spatial.h |  3 +-
 src/distribution.cpp                  | 72 +++++++++++++++------------
 src/distribution_spatial.cpp          |  2 +-
 4 files changed, 71 insertions(+), 40 deletions(-)

diff --git a/include/openmc/distribution.h b/include/openmc/distribution.h
index 34744b3e3..2e210b7ab 100644
--- a/include/openmc/distribution.h
+++ b/include/openmc/distribution.h
@@ -32,27 +32,24 @@ using UPtrDist = unique_ptr<Distribution>;
 UPtrDist distribution_from_xml(pugi::xml_node node);
 
 //==============================================================================
-//! A discrete distribution (probability mass function)
+//! A discrete distribution index (probability mass function)
 //==============================================================================
 
-class Discrete : public Distribution {
+class DiscreteIndex {
 public:
   explicit Discrete(pugi::xml_node node);
-  Discrete(const double* x, const double* p, int n);
   Discrete(const double* p, int n);
 
   //! Sample a value from the distribution
   //! \param seed Pseudorandom number seed pointer
   //! \return Sampled value
-  double sample(uint64_t* seed) const override;
+  size_t sample(uint64_t* seed) const override;
 
   // Properties
-  const vector<double>& x() const { return x_; }
   const vector<double>& prob() const { return prob_; }
   const vector<size_t>& alias() const { return alias_; }
 
 private:
-  vector<double> x_;    //!< Possible outcomes
   vector<double> prob_; //!< Probability of accepting the uniformly sampled bin,
                         //!< mapped to alias method table
   vector<size_t> alias_; //!< Alias table
@@ -64,6 +61,31 @@ private:
   void init_alias();
 };
 
+//==============================================================================
+//! A discrete distribution (probability mass function)
+//==============================================================================
+
+class Discrete : public Distribution {
+public:
+  explicit Discrete(pugi::xml_node node);
+  Discrete(const double* x, const double* p, int n);
+
+  //! Sample a value from the distribution
+  //! \param seed Pseudorandom number seed pointer
+  //! \return Sampled value
+  double sample(uint64_t* seed) const override;
+
+  // Properties
+  const vector<double>& x() const { return x_; }
+  const vector<double>& prob() const { return di_->prob(); }
+  const vector<size_t>& alias() const { return di_->alias(); }
+
+private:
+  vector<double> x_;             //!< Possible outcomes
+  unique_ptr<DiscreteIndex> di_; //!< discrete probability distribution of
+                                 //!< outcome indices
+};
+
 //==============================================================================
 //! Uniform distribution over the interval [a,b]
 //==============================================================================
diff --git a/include/openmc/distribution_spatial.h b/include/openmc/distribution_spatial.h
index dc1d898fe..9ca9c0684 100644
--- a/include/openmc/distribution_spatial.h
+++ b/include/openmc/distribution_spatial.h
@@ -114,7 +114,8 @@ public:
 
 private:
   int32_t mesh_idx_ {C_NONE};
-  UPtrDist elem_idx_dist_; //!< Distribution of mesh element indices
+  unique_ptr<DiscreteIndex> elem_idx_dist_; //!< Distribution of
+                                            //!< mesh element indices
 };
 
 //==============================================================================
diff --git a/src/distribution.cpp b/src/distribution.cpp
index 0dac7af36..2378cf117 100644
--- a/src/distribution.cpp
+++ b/src/distribution.cpp
@@ -19,43 +19,26 @@
 namespace openmc {
 
 //==============================================================================
-// Discrete implementation
+// DiscreteIndex implementation
 //==============================================================================
 
-Discrete::Discrete(pugi::xml_node node)
+DiscreteIndex::DiscreteIndex(pugi::xml_node node)
 {
   auto params = get_node_array<double>(node, "parameters");
 
-  std::size_t n = params.size() / 2;
-
-  x_.assign(params.begin(), params.begin() + n);
-  prob_.assign(params.begin() + n, params.end());
+  prob_.assign(params.begin(), params.end());
 
   this->init_alias();
 }
 
-Discrete::Discrete(const double* x, const double* p, int n)
-{
-
-  x_.assign(x, x + n);
-  prob_.assign(p, p + n);
-
-  this->init_alias();
-}
-
-Discrete::Discrete(const double* p, int n)
+DiscreteIndex::DiscreteIndex(const double* p, int n)
 {
   prob_.assign(p, p + n);
-  x_.resize(n);
-
-  for (int i = 0; i < n; i++) {
-    x_[i] = i;
-  }
 
   this->init_alias();
 }
 
-void Discrete::init_alias()
+void DiscreteIndex::init_alias()
 {
   normalize();
 
@@ -66,12 +49,11 @@ void Discrete::init_alias()
   vector<size_t> small;
 
   // Set and allocate memory
-  vector<size_t> alias(x_.size(), 0);
-  alias_ = alias;
+  alias_.assign(prob_.size(), 0);
 
   // Fill large and small vectors based on 1/n
-  for (size_t i = 0; i < x_.size(); i++) {
-    prob_[i] *= x_.size();
+  for (size_t i = 0; i < prob_.size(); i++) {
+    prob_[i] *= prob_.size();
     if (prob_[i] > 1.0) {
       large.push_back(i);
     } else {
@@ -98,23 +80,23 @@ void Discrete::init_alias()
   }
 }
 
-double Discrete::sample(uint64_t* seed) const
+size_t DiscreteIndex::sample(uint64_t* seed) const
 {
   // Alias sampling of discrete distribution
-  int n = x_.size();
+  int n = prob_.size();
   if (n > 1) {
     int u = prn(seed) * n;
     if (prn(seed) < prob_[u]) {
-      return x_[u];
+      return u;
     } else {
-      return x_[alias_[u]];
+      return alias_[u];
     }
   } else {
-    return x_[0];
+    return 0;
   }
 }
 
-void Discrete::normalize()
+void DiscreteIndex::normalize()
 {
   // Renormalize density function so that it sums to unity
   double norm = std::accumulate(prob_.begin(), prob_.end(), 0.0);
@@ -123,6 +105,32 @@ void Discrete::normalize()
   }
 }
 
+//==============================================================================
+// Discrete implementation
+//==============================================================================
+
+Discrete::Discrete(pugi::xml_node node)
+{
+  auto params = get_node_array<double>(node, "parameters");
+
+  std::size_t n = params.size() / 2;
+
+  x_.assign(params.begin(), params.begin() + n);
+  di_ = new DiscreteIndex(params.begin() + n, n)
+}
+
+Discrete::Discrete(const double* x, const double* p, int n)
+{
+
+  x_.assign(x, x + n);
+  di_ = new DiscreteIndex(params.begin() + n, n)
+}
+
+double Discrete::sample(uint64_t* seed) const
+{
+  return x_[di_->sample(seed)];
+}
+
 //==============================================================================
 // Uniform implementation
 //==============================================================================
diff --git a/src/distribution_spatial.cpp b/src/distribution_spatial.cpp
index 272f9d941..c2d370b17 100644
--- a/src/distribution_spatial.cpp
+++ b/src/distribution_spatial.cpp
@@ -231,7 +231,7 @@ MeshSpatial::MeshSpatial(pugi::xml_node node)
     }
   }
 
-  elem_idx_dist_ = UPtrDist {new Discrete {strengths.data(), n_bins}};
+  elem_idx_dist_ = make_unique<DiscreteIndex>(strengths.data(), n_bins);
 }
 
 Position MeshSpatial::sample(uint64_t* seed) const

From 60c3f2a9d56137ad1348768ad81126346b3555e9 Mon Sep 17 00:00:00 2001
From: "Paul P.H. Wilson" <paul.wilson@wisc.edu>
Date: Tue, 21 Mar 2023 16:36:33 -0400
Subject: [PATCH 1650/2654] type consistency and storing size as local

---
 src/distribution.cpp | 12 +++++++-----
 1 file changed, 7 insertions(+), 5 deletions(-)

diff --git a/src/distribution.cpp b/src/distribution.cpp
index 2378cf117..2066e5a8c 100644
--- a/src/distribution.cpp
+++ b/src/distribution.cpp
@@ -48,12 +48,14 @@ void DiscreteIndex::init_alias()
   vector<size_t> large;
   vector<size_t> small;
 
+  size_t n = prob_.size();
+
   // Set and allocate memory
-  alias_.assign(prob_.size(), 0);
+  alias_.assign(n, 0);
 
   // Fill large and small vectors based on 1/n
-  for (size_t i = 0; i < prob_.size(); i++) {
-    prob_[i] *= prob_.size();
+  for (size_t i = 0; i < n; i++) {
+    prob_[i] *= n;
     if (prob_[i] > 1.0) {
       large.push_back(i);
     } else {
@@ -83,9 +85,9 @@ void DiscreteIndex::init_alias()
 size_t DiscreteIndex::sample(uint64_t* seed) const
 {
   // Alias sampling of discrete distribution
-  int n = prob_.size();
+  size_t n = prob_.size();
   if (n > 1) {
-    int u = prn(seed) * n;
+    size_t u = prn(seed) * n;
     if (prn(seed) < prob_[u]) {
       return u;
     } else {

From 17e9918f5d33188f5882559b073fee72dce3e195 Mon Sep 17 00:00:00 2001
From: shimwell <mail@jshimwell.com>
Date: Tue, 21 Mar 2023 21:51:40 +0000
Subject: [PATCH 1651/2654] removed most deprecated types

---
 openmc/plotter.py                | 127 +++++++++++++------------------
 tests/unit_tests/test_plotter.py |   4 +-
 2 files changed, 55 insertions(+), 76 deletions(-)

diff --git a/openmc/plotter.py b/openmc/plotter.py
index 541b05f0b..2bdcfe351 100644
--- a/openmc/plotter.py
+++ b/openmc/plotter.py
@@ -53,6 +53,9 @@ _MIN_E = 1.e-5
 _MAX_E = 20.e6
 
 
+ELEMENT_NAMES = list(openmc.data.ELEMENT_SYMBOL.values())[1:]
+
+
 def plot_xs(this, types, divisor_types=None, temperature=294., axis=None,
             sab_name=None, ce_cross_sections=None, mg_cross_sections=None,
             enrichment=None, plot_CE=True, orders=None, divisor_orders=None):
@@ -60,7 +63,7 @@ def plot_xs(this, types, divisor_types=None, temperature=294., axis=None,
 
     Parameters
     ----------
-    this : {str, openmc.Nuclide, openmc.Element, openmc.Macroscopic, openmc.Material}
+    this : {str, openmc.Material}
         Object to source data from. Nuclides and Elements can be input as a str
     types : Iterable of values of PLOT_TYPES
         The type of cross sections to include in the plot.
@@ -77,16 +80,14 @@ def plot_xs(this, types, divisor_types=None, temperature=294., axis=None,
         A previously generated axis to use for plotting. If not specified,
         a new axis and figure will be generated.
     sab_name : str, optional
-        Name of S(a,b) library to apply to MT=2 data when applicable; only used
-        for items which are instances of openmc.Element or openmc.Nuclide
+        Name of S(a,b) library to apply to MT=2 data when applicable.
     ce_cross_sections : str, optional
         Location of cross_sections.xml file. Default is None.
     mg_cross_sections : str, optional
         Location of MGXS HDF5 Library file. Default is None.
     enrichment : float, optional
         Enrichment for U235 in weight percent. For example, input 4.95 for
-        4.95 weight percent enriched U. Default is None. This is only used for
-        items which are instances of openmc.Element
+        4.95 weight percent enriched U. Default is None.
     plot_CE : bool, optional
         Denotes whether or not continuous-energy will be plotted. Defaults to
         plotting the continuous-energy data.
@@ -110,7 +111,7 @@ def plot_xs(this, types, divisor_types=None, temperature=294., axis=None,
     import matplotlib.pyplot as plt
 
     cv.check_type("plot_CE", plot_CE, bool)
-    cv.check_type("this", this, (str, openmc.Nuclide, openmc.Element, openmc.Material))
+    cv.check_type("this", this, (str, openmc.Material))
 
     if plot_CE:
         # Calculate for the CE cross sections
@@ -179,28 +180,23 @@ def plot_xs(this, types, divisor_types=None, temperature=294., axis=None,
     else:
         ax.set_xlim(E[-1], E[0])
 
-    if isinstance(this, str):
-        # first entry in ELEMENT_SYMBOL is a neutron, the 1 removes this entry
-        if this in list(openmc.data.ELEMENT_SYMBOL.values())[1:]:
-            this = openmc.Element(this)
-        else:
-            this = openmc.Nuclide(this)
-
     if divisor_types:
-        if isinstance(this, openmc.Nuclide):
-            ylabel = 'Nuclidic Microscopic Data'
-        elif isinstance(this, openmc.Element):
-            ylabel = 'Elemental Microscopic Data'
-        elif isinstance(this, openmc.Material) or isinstance(this, openmc.Macroscopic):
+        if isinstance(this, str):
+            if this in ELEMENT_NAMES:
+                ylabel = 'Elemental Microscopic Data'
+            else:
+                ylabel = 'Nuclide Microscopic Data'
+        elif isinstance(this, openmc.Material):
             ylabel = 'Macroscopic Data'
         else:
             raise TypeError("Invalid type for plotting")
     else:
-        if isinstance(this, openmc.Nuclide):
-            ylabel = 'Microscopic Cross Section [b]'
-        elif isinstance(this, openmc.Element):
-            ylabel = 'Elemental Cross Section [b]'
-        elif isinstance(this, openmc.Material) or isinstance(this, openmc.Macroscopic):
+        if isinstance(this, str):
+            if this in ELEMENT_NAMES:
+                ylabel = 'Elemental Cross Section [b]'
+            else:
+                ylabel = 'Microscopic Cross Section [b]'
+        elif isinstance(this, openmc.Material):
             ylabel = 'Macroscopic Cross Section [1/cm]'
         else:
             raise TypeError("Invalid type for plotting")
@@ -221,8 +217,9 @@ def calculate_cexs(this, types, temperature=294., sab_name=None,
 
     Parameters
     ----------
-    this : {str, openmc.Nuclide, openmc.Element, openmc.Material}
-        Object to source data from. Nuclides and Elements can be input as a str
+    this : {str, openmc.Material}
+        Object to source data from. Nuclides and Elements should be input as a
+        str
     types : Iterable of values of PLOT_TYPES
         The type of cross sections to calculate
     temperature : float, optional
@@ -249,44 +246,37 @@ def calculate_cexs(this, types, temperature=294., sab_name=None,
     """
 
     # Check types
-    cv.check_type('this', this, (str, openmc.Nuclide, openmc.Element, openmc.Material))
+    cv.check_type('this', this, (str, openmc.Material))
     cv.check_type('temperature', temperature, Real)
     if sab_name:
         cv.check_type('sab_name', sab_name, str)
     if enrichment:
         cv.check_type('enrichment', enrichment, Real)
 
-    # this is a nuclide or element if it is a string
     if isinstance(this, str):
-        # first entry in ELEMENT_SYMBOL is a neutron, the 1 removes this entry
-        if this in list(openmc.data.ELEMENT_SYMBOL.values())[1:]:
-            this = openmc.Element(this)
+        if this in ELEMENT_NAMES:
+            energy_grid, data = _calculate_cexs_elem_mat(
+                this, types, temperature, cross_sections, sab_name, enrichment
+            )
+
         else:
-            this = openmc.Nuclide(this)
+            energy_grid, xs = _calculate_cexs_nuclide(
+                this, types, temperature, sab_name, cross_sections
+            )
 
-    if isinstance(this, openmc.Nuclide):
-        energy_grid, xs = _calculate_cexs_nuclide(this, types, temperature,
-                                                  sab_name, cross_sections)
-
-        # Convert xs (Iterable of Callable) to a grid of cross section values
-        # calculated on the points in energy_grid for consistency with the
-        # element and material functions.
-        data = np.zeros((len(types), len(energy_grid)))
-        for line in range(len(types)):
-            data[line, :] = xs[line](energy_grid)
-
-    elif isinstance(this, openmc.Element):
-        energy_grid, data = _calculate_cexs_elem_mat(this, types, temperature,
-                                                     cross_sections, sab_name,
-                                                     enrichment)
+            # Convert xs (Iterable of Callable) to a grid of cross section values
+            # calculated on the points in energy_grid for consistency with the
+            # element and material functions.
+            data = np.zeros((len(types), len(energy_grid)))
+            for line in range(len(types)):
+                data[line, :] = xs[line](energy_grid)
 
     elif isinstance(this, openmc.Material):
         energy_grid, data = _calculate_cexs_elem_mat(this, types, temperature,
                                                      cross_sections)
     else:
         msg = (
-            f"{this} is an invalid type, acceptable types are str, "
-            "openmc.Nuclide, openmc.Element, openmc.Material."
+            f"{this} is an invalid type, acceptable types are str, openmc.Material."
         )
         raise TypeError(msg)
 
@@ -299,7 +289,7 @@ def _calculate_cexs_nuclide(this, types, temperature=294., sab_name=None,
 
     Parameters
     ----------
-    this : openmc.Nuclide
+    this : str
         Nuclide object to source data from
     types : Iterable of str or Integral
         The type of cross sections to calculate; values can either be those
@@ -496,8 +486,8 @@ def _calculate_cexs_elem_mat(this, types, temperature=294.,
 
     Parameters
     ----------
-    this : openmc.Material or openmc.Element
-        Object to source data from
+    this : openmc.Material or str
+        Object to source data from. Element can be input as str
     types : Iterable of values of PLOT_TYPES
         The type of cross sections to calculate
     temperature : float, optional
@@ -538,18 +528,16 @@ def _calculate_cexs_elem_mat(this, types, temperature=294.,
         # Expand elements in to nuclides with atomic densities
         nuc_fractions = this.get_nuclide_atom_densities()
         # Create a dict of [nuclide name] = nuclide object to carry forward
-        # with a common nuclides format between openmc.Material and
-        # openmc.Element objects
+        # with a common nuclides format between openmc.Material and Elements
         nuclides = {nuclide: nuclide for nuclide in nuc_fractions}
     else:
         # Expand elements in to nuclides with atomic densities
-        nuclides = this.expand(1., 'ao', enrichment=enrichment,
+        nuclides = openmc.Element(this).expand(1., 'ao', enrichment=enrichment,
                                cross_sections=cross_sections)
         # For ease of processing split out the nuclide and its fraction
         nuc_fractions = {nuclide[0]: nuclide[1] for nuclide in nuclides}
         # Create a dict of [nuclide name] = nuclide object to carry forward
-        # with a common nuclides format between openmc.Material and
-        # openmc.Element objects
+        # with a common nuclides format between openmc.Material and Elements
         nuclides = {nuclide[0]: nuclide[0] for nuclide in nuclides}
 
     # Identify the nuclides which have S(a,b) data
@@ -615,7 +603,7 @@ def calculate_mgxs(this, types, orders=None, temperature=294.,
 
     Parameters
     ----------
-    this : {str, openmc.Nuclide, openmc.Element, openmc.Macroscopic, openmc.Material}
+    this : {str, openmc.Material}
         Object to source data from. Nuclides and Elements can be input as a str
     types : Iterable of values of PLOT_TYPES_MGXS
         The type of cross sections to calculate
@@ -632,7 +620,6 @@ def calculate_mgxs(this, types, orders=None, temperature=294.,
         Location of MGXS HDF5 Library file. Default is None.
     ce_cross_sections : str, optional
         Location of continuous-energy cross_sections.xml file. Default is None.
-        This is used only for expanding an openmc.Element object passed as this
     enrichment : float, optional
         Enrichment for U235 in weight percent. For example, input 4.95 for
         4.95 weight percent enriched U. Default is None
@@ -656,21 +643,13 @@ def calculate_mgxs(this, types, orders=None, temperature=294.,
     cv.check_type("cross_sections", cross_sections, str)
     library = openmc.MGXSLibrary.from_hdf5(cross_sections)
 
-    # this is a nuclide or element if it is a string
-    if isinstance(this, str):
-        # first entry in ELEMENT_SYMBOL is a neutron, the 1 removes this entry
-        if this in list(openmc.data.ELEMENT_SYMBOL.values())[1:]:
-            this = openmc.Element(this)
-        else:
-            this = openmc.Nuclide(this)
-
-    if isinstance(this, openmc.Nuclide) or isinstance(this, openmc.Macroscopic):
-        mgxs = _calculate_mgxs_nuc_macro(this, types, library, orders,
-                                         temperature)
-    elif isinstance(this, openmc.Element) or isinstance(this, openmc.Material):
+    if this in ELEMENT_NAMES or isinstance(this, openmc.Material):
         mgxs = _calculate_mgxs_elem_mat(this, types, library, orders,
                                         temperature, ce_cross_sections,
                                         enrichment)
+    elif isinstance(this, str):
+        mgxs = _calculate_mgxs_nuc_macro(this, types, library, orders,
+                                         temperature)
     else:
         raise TypeError("Invalid type")
 
@@ -702,7 +681,7 @@ def _calculate_mgxs_nuc_macro(this, types, library, orders=None,
 
     Parameters
     ----------
-    this : openmc.Nuclide or openmc.Macroscopic
+    this : str
         Object to source data from
     types : Iterable of str
         The type of cross sections to calculate; values can either be those
@@ -840,8 +819,8 @@ def _calculate_mgxs_elem_mat(this, types, library, orders=None,
 
     Parameters
     ----------
-    this : openmc.Element or openmc.Material
-        Object to source data from
+    this : str or openmc.Material
+        Object to source data from. Elements can be input as a str
     types : Iterable of str
         The type of cross sections to calculate; values can either be those
         in openmc.PLOT_TYPES_MGXS
@@ -890,7 +869,7 @@ def _calculate_mgxs_elem_mat(this, types, library, orders=None,
     else:
         T = temperature
         # Expand elements in to nuclides with atomic densities
-        nuclides = this.expand(100., 'ao', enrichment=enrichment,
+        nuclides = openmc.Element(this).expand(100., 'ao', enrichment=enrichment,
                                cross_sections=ce_cross_sections)
 
         # For ease of processing split out nuc and nuc_fractions
diff --git a/tests/unit_tests/test_plotter.py b/tests/unit_tests/test_plotter.py
index f7c731f1d..cabf9af6d 100644
--- a/tests/unit_tests/test_plotter.py
+++ b/tests/unit_tests/test_plotter.py
@@ -32,7 +32,7 @@ def test_calculate_cexs_elem_mat_sab(test_mat):
     assert len(data[0]) == len(energy_grid)
 
 
-@pytest.mark.parametrize("this", ["Li", "Li6", openmc.Nuclide('Li6'), openmc.Element('Li')])
+@pytest.mark.parametrize("this", ["Li", "Li6"])
 def test_calculate_cexs_with_nuclide_and_element(this):
     # single type (reaction)
     energy_grid, data = openmc.plotter.calculate_cexs(
@@ -72,7 +72,7 @@ def test_calculate_cexs_with_materials(test_mat):
     assert len(data[0]) == len(energy_grid)
 
 
-@pytest.mark.parametrize("this", ["Be", "Be9", openmc.Nuclide('Be9'), openmc.Element('Be')])
+@pytest.mark.parametrize("this", ["Be", "Be9"])
 def test_plot_xs(this):
     assert isinstance(openmc.plotter.plot_xs(this, types=['total']), Figure)
 

From 035e6dc45aee946976f30216be69371fd02aee21 Mon Sep 17 00:00:00 2001
From: "Paul P.H. Wilson" <paul.wilson@wisc.edu>
Date: Wed, 22 Mar 2023 00:25:04 -0400
Subject: [PATCH 1652/2654] change to instance from pointer and cleanup lazy
 mistakes

---
 include/openmc/distribution.h         | 14 ++++++++------
 include/openmc/distribution_spatial.h |  4 ++--
 src/distribution.cpp                  | 16 +++++++++++-----
 src/distribution_spatial.cpp          |  2 +-
 4 files changed, 22 insertions(+), 14 deletions(-)

diff --git a/include/openmc/distribution.h b/include/openmc/distribution.h
index 2e210b7ab..b7d0e4721 100644
--- a/include/openmc/distribution.h
+++ b/include/openmc/distribution.h
@@ -37,13 +37,15 @@ UPtrDist distribution_from_xml(pugi::xml_node node);
 
 class DiscreteIndex {
 public:
-  explicit Discrete(pugi::xml_node node);
-  Discrete(const double* p, int n);
+  explicit DiscreteIndex(pugi::xml_node node);
+  DiscreteIndex(const double* p, int n);
+
+  void assign(const double* p, int n);
 
   //! Sample a value from the distribution
   //! \param seed Pseudorandom number seed pointer
   //! \return Sampled value
-  size_t sample(uint64_t* seed) const override;
+  size_t sample(uint64_t* seed) const;
 
   // Properties
   const vector<double>& prob() const { return prob_; }
@@ -81,9 +83,9 @@ public:
   const vector<size_t>& alias() const { return di_->alias(); }
 
 private:
-  vector<double> x_;             //!< Possible outcomes
-  unique_ptr<DiscreteIndex> di_; //!< discrete probability distribution of
-                                 //!< outcome indices
+  vector<double> x_; //!< Possible outcomes
+  DiscreteIndex di_; //!< discrete probability distribution of
+                     //!< outcome indices
 };
 
 //==============================================================================
diff --git a/include/openmc/distribution_spatial.h b/include/openmc/distribution_spatial.h
index 9ca9c0684..9fba95060 100644
--- a/include/openmc/distribution_spatial.h
+++ b/include/openmc/distribution_spatial.h
@@ -114,8 +114,8 @@ public:
 
 private:
   int32_t mesh_idx_ {C_NONE};
-  unique_ptr<DiscreteIndex> elem_idx_dist_; //!< Distribution of
-                                            //!< mesh element indices
+  DiscreteIndex elem_idx_dist_; //!< Distribution of
+                                //!< mesh element indices
 };
 
 //==============================================================================
diff --git a/src/distribution.cpp b/src/distribution.cpp
index 2066e5a8c..18fa41449 100644
--- a/src/distribution.cpp
+++ b/src/distribution.cpp
@@ -25,8 +25,9 @@ namespace openmc {
 DiscreteIndex::DiscreteIndex(pugi::xml_node node)
 {
   auto params = get_node_array<double>(node, "parameters");
+  std::size_t n = params.size() / 2;
 
-  prob_.assign(params.begin(), params.end());
+  prob_.assign(params.begin() + n, params.end());
 
   this->init_alias();
 }
@@ -38,6 +39,13 @@ DiscreteIndex::DiscreteIndex(const double* p, int n)
   this->init_alias();
 }
 
+void DiscreteIndex::assign(const double* p, int n)
+{
+  prob_.assign(p, p + n);
+
+  this->init_alias();
+}
+
 void DiscreteIndex::init_alias()
 {
   normalize();
@@ -111,21 +119,19 @@ void DiscreteIndex::normalize()
 // Discrete implementation
 //==============================================================================
 
-Discrete::Discrete(pugi::xml_node node)
+Discrete::Discrete(pugi::xml_node node) : di_(node)
 {
   auto params = get_node_array<double>(node, "parameters");
 
   std::size_t n = params.size() / 2;
 
   x_.assign(params.begin(), params.begin() + n);
-  di_ = new DiscreteIndex(params.begin() + n, n)
 }
 
-Discrete::Discrete(const double* x, const double* p, int n)
+Discrete::Discrete(const double* x, const double* p, int n) : di_(p, n)
 {
 
   x_.assign(x, x + n);
-  di_ = new DiscreteIndex(params.begin() + n, n)
 }
 
 double Discrete::sample(uint64_t* seed) const
diff --git a/src/distribution_spatial.cpp b/src/distribution_spatial.cpp
index c2d370b17..694617ac5 100644
--- a/src/distribution_spatial.cpp
+++ b/src/distribution_spatial.cpp
@@ -231,7 +231,7 @@ MeshSpatial::MeshSpatial(pugi::xml_node node)
     }
   }
 
-  elem_idx_dist_ = make_unique<DiscreteIndex>(strengths.data(), n_bins);
+  elem_idx_dist_.assign(strengths.data(), n_bins);
 }
 
 Position MeshSpatial::sample(uint64_t* seed) const

From df4cfad60c08e62463a748dac6413787692396c2 Mon Sep 17 00:00:00 2001
From: "Paul P.H. Wilson" <paul.wilson@wisc.edu>
Date: Wed, 22 Mar 2023 00:29:28 -0400
Subject: [PATCH 1653/2654] more pointer to instance changes

---
 include/openmc/distribution.h | 4 ++--
 src/distribution.cpp          | 2 +-
 2 files changed, 3 insertions(+), 3 deletions(-)

diff --git a/include/openmc/distribution.h b/include/openmc/distribution.h
index b7d0e4721..12a6f6f5c 100644
--- a/include/openmc/distribution.h
+++ b/include/openmc/distribution.h
@@ -79,8 +79,8 @@ public:
 
   // Properties
   const vector<double>& x() const { return x_; }
-  const vector<double>& prob() const { return di_->prob(); }
-  const vector<size_t>& alias() const { return di_->alias(); }
+  const vector<double>& prob() const { return di_.prob(); }
+  const vector<size_t>& alias() const { return di_.alias(); }
 
 private:
   vector<double> x_; //!< Possible outcomes
diff --git a/src/distribution.cpp b/src/distribution.cpp
index 18fa41449..deea035de 100644
--- a/src/distribution.cpp
+++ b/src/distribution.cpp
@@ -136,7 +136,7 @@ Discrete::Discrete(const double* x, const double* p, int n) : di_(p, n)
 
 double Discrete::sample(uint64_t* seed) const
 {
-  return x_[di_->sample(seed)];
+  return x_[di_.sample(seed)];
 }
 
 //==============================================================================

From c272ed4c4e11d8f3e35e877fb6246c65102c7ee8 Mon Sep 17 00:00:00 2001
From: "Paul P.H. Wilson" <paul.wilson@wisc.edu>
Date: Wed, 22 Mar 2023 00:37:12 -0400
Subject: [PATCH 1654/2654] more pointer->instance repair

---
 src/distribution_spatial.cpp | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/src/distribution_spatial.cpp b/src/distribution_spatial.cpp
index 694617ac5..e1a4c20c2 100644
--- a/src/distribution_spatial.cpp
+++ b/src/distribution_spatial.cpp
@@ -237,7 +237,7 @@ MeshSpatial::MeshSpatial(pugi::xml_node node)
 Position MeshSpatial::sample(uint64_t* seed) const
 {
   // Sample over the CDF defined in initialization above
-  int32_t elem_idx = elem_idx_dist_->sample(seed);
+  int32_t elem_idx = elem_idx_dist_.sample(seed);
   return mesh()->sample(seed, elem_idx);
 }
 

From fb4845494f19b6c0dfde82f1ecb90d5fa8a879a7 Mon Sep 17 00:00:00 2001
From: "Paul P.H. Wilson" <paul.wilson@wisc.edu>
Date: Wed, 22 Mar 2023 00:37:21 -0400
Subject: [PATCH 1655/2654] add default empty consructor

---
 include/openmc/distribution.h | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/include/openmc/distribution.h b/include/openmc/distribution.h
index 12a6f6f5c..03b046bbb 100644
--- a/include/openmc/distribution.h
+++ b/include/openmc/distribution.h
@@ -37,7 +37,8 @@ UPtrDist distribution_from_xml(pugi::xml_node node);
 
 class DiscreteIndex {
 public:
-  explicit DiscreteIndex(pugi::xml_node node);
+  DiscreteIndex() {};
+  DiscreteIndex(pugi::xml_node node);
   DiscreteIndex(const double* p, int n);
 
   void assign(const double* p, int n);

From 967cd43fa13f9360437e130a76086abb08abf106 Mon Sep 17 00:00:00 2001
From: "Paul P.H. Wilson" <paul.wilson@wisc.edu>
Date: Wed, 22 Mar 2023 08:45:19 -0400
Subject: [PATCH 1656/2654] reuse assign

---
 src/distribution.cpp | 8 ++------
 1 file changed, 2 insertions(+), 6 deletions(-)

diff --git a/src/distribution.cpp b/src/distribution.cpp
index deea035de..599f57ad4 100644
--- a/src/distribution.cpp
+++ b/src/distribution.cpp
@@ -27,16 +27,12 @@ DiscreteIndex::DiscreteIndex(pugi::xml_node node)
   auto params = get_node_array<double>(node, "parameters");
   std::size_t n = params.size() / 2;
 
-  prob_.assign(params.begin() + n, params.end());
-
-  this->init_alias();
+  assign(params.begin(), n);
 }
 
 DiscreteIndex::DiscreteIndex(const double* p, int n)
 {
-  prob_.assign(p, p + n);
-
-  this->init_alias();
+  assign(p, n);
 }
 
 void DiscreteIndex::assign(const double* p, int n)

From 83a124c49240725494a2f4795aa1e56954c46bf3 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <drshimwell@gmail.com>
Date: Wed, 22 Mar 2023 13:11:33 +0000
Subject: [PATCH 1657/2654] [skip ci] review improvments to docstring from
 @paulromano

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/plotter.py | 12 ++++++------
 1 file changed, 6 insertions(+), 6 deletions(-)

diff --git a/openmc/plotter.py b/openmc/plotter.py
index 2bdcfe351..c66088cfd 100644
--- a/openmc/plotter.py
+++ b/openmc/plotter.py
@@ -63,8 +63,8 @@ def plot_xs(this, types, divisor_types=None, temperature=294., axis=None,
 
     Parameters
     ----------
-    this : {str, openmc.Material}
-        Object to source data from. Nuclides and Elements can be input as a str
+    this : str or openmc.Material
+        Object to source data from. Nuclides and elements can be input as a str
     types : Iterable of values of PLOT_TYPES
         The type of cross sections to include in the plot.
     divisor_types : Iterable of values of PLOT_TYPES, optional
@@ -217,8 +217,8 @@ def calculate_cexs(this, types, temperature=294., sab_name=None,
 
     Parameters
     ----------
-    this : {str, openmc.Material}
-        Object to source data from. Nuclides and Elements should be input as a
+    this : str or openmc.Material
+        Object to source data from. Nuclides and elements should be input as a
         str
     types : Iterable of values of PLOT_TYPES
         The type of cross sections to calculate
@@ -603,8 +603,8 @@ def calculate_mgxs(this, types, orders=None, temperature=294.,
 
     Parameters
     ----------
-    this : {str, openmc.Material}
-        Object to source data from. Nuclides and Elements can be input as a str
+    this : str or openmc.Material
+        Object to source data from. Nuclides and elements can be input as a str
     types : Iterable of values of PLOT_TYPES_MGXS
         The type of cross sections to calculate
     orders : Iterable of Integral, optional

From 6fc0c3e545627f67bece40950b3426b7001a0b56 Mon Sep 17 00:00:00 2001
From: "Paul P.H. Wilson" <paul.wilson@wisc.edu>
Date: Wed, 22 Mar 2023 09:27:50 -0400
Subject: [PATCH 1658/2654] manually convert iterator to pointer

---
 src/distribution.cpp | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/src/distribution.cpp b/src/distribution.cpp
index 599f57ad4..aa0e8e684 100644
--- a/src/distribution.cpp
+++ b/src/distribution.cpp
@@ -27,7 +27,7 @@ DiscreteIndex::DiscreteIndex(pugi::xml_node node)
   auto params = get_node_array<double>(node, "parameters");
   std::size_t n = params.size() / 2;
 
-  assign(params.begin(), n);
+  assign(&(*params.begin()), n);
 }
 
 DiscreteIndex::DiscreteIndex(const double* p, int n)

From 993a8727980f52775025ab6f31144f1439013e10 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Wed, 22 Mar 2023 13:32:38 +0000
Subject: [PATCH 1659/2654] removed unused else and passing **kwargs

---
 openmc/plotter.py | 16 +++++++---------
 1 file changed, 7 insertions(+), 9 deletions(-)

diff --git a/openmc/plotter.py b/openmc/plotter.py
index c66088cfd..a37b6f042 100644
--- a/openmc/plotter.py
+++ b/openmc/plotter.py
@@ -58,7 +58,8 @@ ELEMENT_NAMES = list(openmc.data.ELEMENT_SYMBOL.values())[1:]
 
 def plot_xs(this, types, divisor_types=None, temperature=294., axis=None,
             sab_name=None, ce_cross_sections=None, mg_cross_sections=None,
-            enrichment=None, plot_CE=True, orders=None, divisor_orders=None):
+            enrichment=None, plot_CE=True, orders=None, divisor_orders=None,
+            **kwargs):
     """Creates a figure of continuous-energy cross sections for this item.
 
     Parameters
@@ -98,6 +99,9 @@ def plot_xs(this, types, divisor_types=None, temperature=294., axis=None,
         multi-group data.
     divisor_orders : Iterable of Integral, optional
         Same as orders, but for divisor_types
+    **kwargs :
+        All keyword arguments are passed to
+        :func:`matplotlib.pyplot.figure`.
 
     Returns
     -------
@@ -157,7 +161,7 @@ def plot_xs(this, types, divisor_types=None, temperature=294., axis=None,
 
     # Generate the plot
     if axis is None:
-        fig, ax = plt.subplots()
+        fig, ax = plt.subplots(**kwargs)
     else:
         fig = None
         ax = axis
@@ -270,15 +274,9 @@ def calculate_cexs(this, types, temperature=294., sab_name=None,
             data = np.zeros((len(types), len(energy_grid)))
             for line in range(len(types)):
                 data[line, :] = xs[line](energy_grid)
-
-    elif isinstance(this, openmc.Material):
+    else:
         energy_grid, data = _calculate_cexs_elem_mat(this, types, temperature,
                                                      cross_sections)
-    else:
-        msg = (
-            f"{this} is an invalid type, acceptable types are str, openmc.Material."
-        )
-        raise TypeError(msg)
 
     return energy_grid, data
 

From 72a6f77b0c57cc1db62041409662a08f43112862 Mon Sep 17 00:00:00 2001
From: "Paul P.H. Wilson" <paul.wilson@wisc.edu>
Date: Wed, 22 Mar 2023 09:59:00 -0400
Subject: [PATCH 1660/2654] use correct part of parameters

---
 src/distribution.cpp | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/src/distribution.cpp b/src/distribution.cpp
index aa0e8e684..32b47093c 100644
--- a/src/distribution.cpp
+++ b/src/distribution.cpp
@@ -27,7 +27,7 @@ DiscreteIndex::DiscreteIndex(pugi::xml_node node)
   auto params = get_node_array<double>(node, "parameters");
   std::size_t n = params.size() / 2;
 
-  assign(&(*params.begin()), n);
+  assign(&(*params.begin()) + n, n);
 }
 
 DiscreteIndex::DiscreteIndex(const double* p, int n)

From 094eb958c1c110f77e7cc96c9d9136d88a5bdf7f Mon Sep 17 00:00:00 2001
From: zoeprieto <101403129+zoeprieto@users.noreply.github.com>
Date: Wed, 22 Mar 2023 12:44:56 -0300
Subject: [PATCH 1661/2654] Add support for ncrystal materials

---
 openmc/plotter.py | 25 +++++++++++++++++++++----
 1 file changed, 21 insertions(+), 4 deletions(-)

diff --git a/openmc/plotter.py b/openmc/plotter.py
index e2d18d085..9a939edc9 100644
--- a/openmc/plotter.py
+++ b/openmc/plotter.py
@@ -227,7 +227,7 @@ def plot_xs(this, types, divisor_types=None, temperature=294., data_type=None,
 
 
 def calculate_cexs(this, data_type, types, temperature=294., sab_name=None,
-                   cross_sections=None, enrichment=None):
+                   cross_sections=None, enrichment=None, ncrystal_cfg=None):
     """Calculates continuous-energy cross sections of a requested type.
 
     Parameters
@@ -274,7 +274,8 @@ def calculate_cexs(this, data_type, types, temperature=294., sab_name=None,
         else:
             nuc = this
         energy_grid, xs = _calculate_cexs_nuclide(nuc, types, temperature,
-                                                  sab_name, cross_sections)
+                                                  sab_name, cross_sections,
+                                                  ncrystal_cfg)
         # Convert xs (Iterable of Callable) to a grid of cross section values
         # calculated on the points in energy_grid for consistency with the
         # element and material functions.
@@ -300,7 +301,7 @@ def calculate_cexs(this, data_type, types, temperature=294., sab_name=None,
 
 
 def _calculate_cexs_nuclide(this, types, temperature=294., sab_name=None,
-                            cross_sections=None):
+                            cross_sections=None, ncrystal_cfg=None):
     """Calculates continuous-energy cross sections of a requested type.
 
     Parameters
@@ -438,6 +439,19 @@ def _calculate_cexs_nuclide(this, types, temperature=294., sab_name=None,
                             [sab_sum, nuc[mt].xs[nucT]],
                             [sab_Emax])
                         funcs.append(pw_funcs)
+                    elif ncrystal_cfg:
+                        import NCrystal
+                        nc_scatter = NCrystal.createScatter(ncrystal_cfg)
+                        nc_func = nc_scatter.crossSectionNonOriented
+                        nc_emax = 5 # eV # this should be obtained from NCRYSTAL_MAX_ENERGY
+                        energy_grid = np.union1d(np.geomspace(min(energy_grid),
+                                                              1.1*nc_emax,
+                                                              1000),energy_grid) # NCrystal does not have
+                                                                                 # an intrinsic energy grid
+                        pw_funcs = openmc.data.Regions1D(
+                            [nc_func, nuc[mt].xs[nucT]],
+                            [nc_emax])
+                        funcs.append(pw_funcs)
                     else:
                         funcs.append(nuc[mt].xs[nucT])
                 elif mt in nuc:
@@ -540,6 +554,7 @@ def _calculate_cexs_elem_mat(this, types, temperature=294.,
     # Load the library
     library = openmc.data.DataLibrary.from_xml(cross_sections)
 
+    ncrystal_cfg = None
     if isinstance(this, openmc.Material):
         # Expand elements in to nuclides with atomic densities
         nuc_fractions = this.get_nuclide_atom_densities()
@@ -547,6 +562,8 @@ def _calculate_cexs_elem_mat(this, types, temperature=294.,
         # with a common nuclides format between openmc.Material and
         # openmc.Element objects
         nuclides = {nuclide: nuclide for nuclide in nuc_fractions}
+        # Add NCrystal cfg string if it exists
+        ncrystal_cfg = this.ncrystal_cfg
     else:
         # Expand elements in to nuclides with atomic densities
         nuclides = this.expand(1., 'ao', enrichment=enrichment,
@@ -584,7 +601,7 @@ def _calculate_cexs_elem_mat(this, types, temperature=294.,
         nuc = nuclide[1]
         sab_tab = sabs[name]
         temp_E, temp_xs = calculate_cexs(nuc, 'nuclide', types, T, sab_tab,
-                                         cross_sections)
+                                         cross_sections, ncrystal_cfg=ncrystal_cfg)
         E.append(temp_E)
         # Since the energy grids are different, store the cross sections as
         # a tabulated function so they can be calculated on any grid needed.

From 5160417e3e01097934eb0ef36610c35aa3fa6639 Mon Sep 17 00:00:00 2001
From: Kalin Kiesling <krkiesling@gmail.com>
Date: Wed, 22 Mar 2023 12:45:33 -0500
Subject: [PATCH 1662/2654] load any nuclide requested that is not present in
 materials prior to constructing tally

---
 openmc/deplete/helpers.py | 12 +++++++++---
 1 file changed, 9 insertions(+), 3 deletions(-)

diff --git a/openmc/deplete/helpers.py b/openmc/deplete/helpers.py
index e51106544..90d1ddde4 100644
--- a/openmc/deplete/helpers.py
+++ b/openmc/deplete/helpers.py
@@ -15,7 +15,7 @@ from openmc.mpi import comm
 from openmc.checkvalue import check_type, check_greater_than
 from openmc.data import JOULE_PER_EV, REACTION_MT
 from openmc.lib import (
-    Tally, MaterialFilter, EnergyFilter, EnergyFunctionFilter)
+    Tally, MaterialFilter, EnergyFilter, EnergyFunctionFilter, load_nuclide)
 import openmc.lib
 from .abc import (
     ReactionRateHelper, NormalizationHelper, FissionYieldHelper)
@@ -189,7 +189,7 @@ class DirectReactionRateHelper(ReactionRateHelper):
     def reset_tally_means(self):
         """Reset the cached mean rate tallies.
         .. note::
-            
+
                 This step must be performed after each transport cycle
         """
         self._rate_tally_means_cache = None
@@ -306,6 +306,12 @@ class FluxCollapseHelper(ReactionRateHelper):
             self._rate_tally.filters = [MaterialFilter(materials)]
             self._rate_tally_means_cache = None
             if self._nuclides_direct is not None:
+                # check if any direct tally nuclides are requested that are not
+                # already loaded with the materials. Load separately if so.
+                mat_nuclides = [n for mat in materials for n in mat.nuclides]
+                extra_nuclides = set(self._nuclides_direct) - set(mat_nuclides)
+                for nuc in extra_nuclides:
+                    load_nuclide(nuc)
                 self._rate_tally.nuclides = self._nuclides_direct
 
     @property
@@ -327,7 +333,7 @@ class FluxCollapseHelper(ReactionRateHelper):
     def reset_tally_means(self):
         """Reset the cached mean rate and flux tallies.
         .. note::
-            
+
                 This step must be performed after each transport cycle
         """
         self._flux_tally_means_cache = None

From 9bb1ef4369871444f3342ee144a5854a34479a87 Mon Sep 17 00:00:00 2001
From: Paul Wilson <paul.wilson@wisc.edu>
Date: Wed, 22 Mar 2023 21:42:06 -0400
Subject: [PATCH 1663/2654] Update src/distribution.cpp

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 src/distribution.cpp | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/src/distribution.cpp b/src/distribution.cpp
index 32b47093c..10d404c10 100644
--- a/src/distribution.cpp
+++ b/src/distribution.cpp
@@ -27,7 +27,7 @@ DiscreteIndex::DiscreteIndex(pugi::xml_node node)
   auto params = get_node_array<double>(node, "parameters");
   std::size_t n = params.size() / 2;
 
-  assign(&(*params.begin()) + n, n);
+  assign(params.data() + n, n);
 }
 
 DiscreteIndex::DiscreteIndex(const double* p, int n)

From 675ec5f9abc72d9e0c885139cc7a06539e33a459 Mon Sep 17 00:00:00 2001
From: guyshtot <guyshtot@gmail.com>
Date: Thu, 23 Mar 2023 13:07:21 +0200
Subject: [PATCH 1664/2654] Added test for the use of a Library with specified
 nuclides

---
 .../__init__.py                               |    0
 .../inputs_true.dat                           | 1769 +++++++++++++++++
 .../results_true.dat                          |    1 +
 .../mgxs_library_specific_nuclides/test.py    |   71 +
 4 files changed, 1841 insertions(+)
 create mode 100644 tests/regression_tests/mgxs_library_specific_nuclides/__init__.py
 create mode 100644 tests/regression_tests/mgxs_library_specific_nuclides/inputs_true.dat
 create mode 100644 tests/regression_tests/mgxs_library_specific_nuclides/results_true.dat
 create mode 100644 tests/regression_tests/mgxs_library_specific_nuclides/test.py

diff --git a/tests/regression_tests/mgxs_library_specific_nuclides/__init__.py b/tests/regression_tests/mgxs_library_specific_nuclides/__init__.py
new file mode 100644
index 000000000..e69de29bb
diff --git a/tests/regression_tests/mgxs_library_specific_nuclides/inputs_true.dat b/tests/regression_tests/mgxs_library_specific_nuclides/inputs_true.dat
new file mode 100644
index 000000000..205eb059c
--- /dev/null
+++ b/tests/regression_tests/mgxs_library_specific_nuclides/inputs_true.dat
@@ -0,0 +1,1769 @@
+<?xml version='1.0' encoding='utf-8'?>
+<geometry>
+  <cell id="1" material="1" name="Fuel" region="-1" universe="0" />
+  <cell id="2" material="2" name="Cladding" region="1 -2" universe="0" />
+  <cell id="3" material="3" name="Water" region="2 3 -4 5 -6" universe="0" />
+  <surface coeffs="0 0 0.39218" id="1" name="Fuel OR" type="z-cylinder" />
+  <surface coeffs="0 0 0.4572" id="2" name="Clad OR" type="z-cylinder" />
+  <surface boundary="reflective" coeffs="-0.63" id="3" name="left" type="x-plane" />
+  <surface boundary="reflective" coeffs="0.63" id="4" name="right" type="x-plane" />
+  <surface boundary="reflective" coeffs="-0.63" id="5" name="bottom" type="y-plane" />
+  <surface boundary="reflective" coeffs="0.63" id="6" name="top" type="y-plane" />
+</geometry>
+<?xml version='1.0' encoding='utf-8'?>
+<materials>
+  <material depletable="true" id="1" name="UO2 (2.4%)">
+    <density units="g/cm3" value="10.29769" />
+    <nuclide ao="4.4843e-06" name="U234" />
+    <nuclide ao="0.00055815" name="U235" />
+    <nuclide ao="0.022408" name="U238" />
+    <nuclide ao="0.045829" name="O16" />
+  </material>
+  <material id="2" name="Zircaloy">
+    <density units="g/cm3" value="6.55" />
+    <nuclide ao="0.021827" name="Zr90" />
+    <nuclide ao="0.00476" name="Zr91" />
+    <nuclide ao="0.0072758" name="Zr92" />
+    <nuclide ao="0.0073734" name="Zr94" />
+    <nuclide ao="0.0011879" name="Zr96" />
+  </material>
+  <material id="3" name="Hot borated water">
+    <density units="g/cm3" value="0.740582" />
+    <nuclide ao="0.049457" name="H1" />
+    <nuclide ao="0.024672" name="O16" />
+    <nuclide ao="8.0042e-06" name="B10" />
+    <nuclide ao="3.2218e-05" name="B11" />
+    <sab name="c_H_in_H2O" />
+  </material>
+</materials>
+<?xml version='1.0' encoding='utf-8'?>
+<settings>
+  <run_mode>eigenvalue</run_mode>
+  <particles>100</particles>
+  <batches>10</batches>
+  <inactive>5</inactive>
+  <source strength="1.0">
+    <space type="fission">
+      <parameters>-0.63 -0.63 -1 0.63 0.63 1</parameters>
+    </space>
+  </source>
+</settings>
+<?xml version='1.0' encoding='utf-8'?>
+<tallies>
+  <filter id="1" type="material">
+    <bins>1</bins>
+  </filter>
+  <filter id="2" type="energy">
+    <bins>0.0 0.625 20000000.0</bins>
+  </filter>
+  <filter id="5" type="energyout">
+    <bins>0.0 0.625 20000000.0</bins>
+  </filter>
+  <filter id="6" type="legendre">
+    <order>1</order>
+  </filter>
+  <filter id="30" type="legendre">
+    <order>3</order>
+  </filter>
+  <filter id="54" type="energy">
+    <bins>0.0 20000000.0</bins>
+  </filter>
+  <filter id="106" type="material">
+    <bins>2</bins>
+  </filter>
+  <filter id="211" type="material">
+    <bins>3</bins>
+  </filter>
+  <tally id="1">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="2">
+    <filters>1 2</filters>
+    <nuclides>U235 total</nuclides>
+    <scores>total</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="3">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="4">
+    <filters>1 2</filters>
+    <nuclides>U235 total</nuclides>
+    <scores>total</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="5">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="6">
+    <filters>1 5 6</filters>
+    <nuclides>U235 total</nuclides>
+    <scores>scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="7">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="8">
+    <filters>1 2</filters>
+    <nuclides>U235 total</nuclides>
+    <scores>total</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="9">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="10">
+    <filters>1 5 6</filters>
+    <nuclides>U235 total</nuclides>
+    <scores>nu-scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="11">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="12">
+    <filters>1 2</filters>
+    <nuclides>U235 total</nuclides>
+    <scores>absorption</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="13">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="14">
+    <filters>1 2</filters>
+    <nuclides>U235 total</nuclides>
+    <scores>absorption</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="15">
+    <filters>1 2</filters>
+    <nuclides>U235 total</nuclides>
+    <scores>(n,2n)</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="16">
+    <filters>1 2</filters>
+    <nuclides>U235 total</nuclides>
+    <scores>(n,3n)</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="17">
+    <filters>1 2</filters>
+    <nuclides>U235 total</nuclides>
+    <scores>(n,4n)</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="18">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="19">
+    <filters>1 2</filters>
+    <nuclides>U235 total</nuclides>
+    <scores>absorption</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="20">
+    <filters>1 2</filters>
+    <nuclides>U235 total</nuclides>
+    <scores>fission</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="21">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="22">
+    <filters>1 2</filters>
+    <nuclides>U235 total</nuclides>
+    <scores>fission</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="23">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="24">
+    <filters>1 2</filters>
+    <nuclides>U235 total</nuclides>
+    <scores>nu-fission</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="25">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="26">
+    <filters>1 2</filters>
+    <nuclides>U235 total</nuclides>
+    <scores>kappa-fission</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="27">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="28">
+    <filters>1 2</filters>
+    <nuclides>U235 total</nuclides>
+    <scores>scatter</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="29">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="30">
+    <filters>1 2</filters>
+    <nuclides>U235 total</nuclides>
+    <scores>nu-scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="31">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="32">
+    <filters>1 2 5 30</filters>
+    <nuclides>U235 total</nuclides>
+    <scores>scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="33">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="34">
+    <filters>1 2 5 30</filters>
+    <nuclides>U235 total</nuclides>
+    <scores>nu-scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="35">
+    <filters>1 2 5</filters>
+    <nuclides>U235 total</nuclides>
+    <scores>nu-scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="36">
+    <filters>1 2 5</filters>
+    <nuclides>U235 total</nuclides>
+    <scores>scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="37">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="38">
+    <filters>1 2 5</filters>
+    <nuclides>U235 total</nuclides>
+    <scores>nu-fission</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="39">
+    <filters>1 2 5</filters>
+    <nuclides>U235 total</nuclides>
+    <scores>scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="40">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="41">
+    <filters>1 2</filters>
+    <nuclides>U235 total</nuclides>
+    <scores>scatter</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="42">
+    <filters>1 2 5 30</filters>
+    <nuclides>U235 total</nuclides>
+    <scores>scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="43">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="44">
+    <filters>1 2</filters>
+    <nuclides>U235 total</nuclides>
+    <scores>scatter</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="45">
+    <filters>1 2 5 30</filters>
+    <nuclides>U235 total</nuclides>
+    <scores>scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="46">
+    <filters>1 2 5</filters>
+    <nuclides>U235 total</nuclides>
+    <scores>nu-scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="47">
+    <filters>1 54</filters>
+    <nuclides>U235 total</nuclides>
+    <scores>nu-fission</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="48">
+    <filters>1 5</filters>
+    <nuclides>U235 total</nuclides>
+    <scores>nu-fission</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="49">
+    <filters>1 54</filters>
+    <nuclides>U235 total</nuclides>
+    <scores>prompt-nu-fission</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="50">
+    <filters>1 5</filters>
+    <nuclides>U235 total</nuclides>
+    <scores>prompt-nu-fission</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="51">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="52">
+    <filters>1 2</filters>
+    <nuclides>U235 total</nuclides>
+    <scores>inverse-velocity</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="53">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="54">
+    <filters>1 2</filters>
+    <nuclides>U235 total</nuclides>
+    <scores>prompt-nu-fission</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="55">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="56">
+    <filters>1 2 5</filters>
+    <nuclides>U235 total</nuclides>
+    <scores>prompt-nu-fission</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="57">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="58">
+    <filters>1 2</filters>
+    <nuclides>U235 total</nuclides>
+    <scores>total</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="59">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="60">
+    <filters>1 5 6</filters>
+    <nuclides>U235 total</nuclides>
+    <scores>scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="61">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="62">
+    <filters>1 2</filters>
+    <nuclides>U235 total</nuclides>
+    <scores>total</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="63">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="64">
+    <filters>1 5 6</filters>
+    <nuclides>U235 total</nuclides>
+    <scores>nu-scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="65">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="66">
+    <filters>1 2</filters>
+    <nuclides>U235 total</nuclides>
+    <scores>(n,elastic)</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="67">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="68">
+    <filters>1 2</filters>
+    <nuclides>U235 total</nuclides>
+    <scores>(n,level)</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="69">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="70">
+    <filters>1 2</filters>
+    <nuclides>U235 total</nuclides>
+    <scores>(n,2n)</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="71">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="72">
+    <filters>1 2</filters>
+    <nuclides>U235 total</nuclides>
+    <scores>(n,na)</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="73">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="74">
+    <filters>1 2</filters>
+    <nuclides>U235 total</nuclides>
+    <scores>(n,nc)</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="75">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="76">
+    <filters>1 2</filters>
+    <nuclides>U235 total</nuclides>
+    <scores>(n,gamma)</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="77">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="78">
+    <filters>1 2</filters>
+    <nuclides>U235 total</nuclides>
+    <scores>(n,a)</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="79">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="80">
+    <filters>1 2</filters>
+    <nuclides>U235 total</nuclides>
+    <scores>(n,Xa)</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="81">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="82">
+    <filters>1 2</filters>
+    <nuclides>U235 total</nuclides>
+    <scores>heating</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="83">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="84">
+    <filters>1 2</filters>
+    <nuclides>U235 total</nuclides>
+    <scores>damage-energy</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="85">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="86">
+    <filters>1 2</filters>
+    <nuclides>U235 total</nuclides>
+    <scores>(n,n1)</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="87">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="88">
+    <filters>1 2</filters>
+    <nuclides>U235 total</nuclides>
+    <scores>(n,a0)</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="89">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="90">
+    <filters>1 2 5</filters>
+    <nuclides>U235 total</nuclides>
+    <scores>(n,nc)</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="91">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="92">
+    <filters>1 2 5</filters>
+    <nuclides>U235 total</nuclides>
+    <scores>(n,n1)</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="93">
+    <filters>1 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="94">
+    <filters>1 2 5</filters>
+    <nuclides>U235 total</nuclides>
+    <scores>(n,2n)</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="95">
+    <filters>106 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="96">
+    <filters>106 2</filters>
+    <nuclides>Zr90 total</nuclides>
+    <scores>total</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="97">
+    <filters>106 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="98">
+    <filters>106 2</filters>
+    <nuclides>Zr90 total</nuclides>
+    <scores>total</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="99">
+    <filters>106 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="100">
+    <filters>106 5 6</filters>
+    <nuclides>Zr90 total</nuclides>
+    <scores>scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="101">
+    <filters>106 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="102">
+    <filters>106 2</filters>
+    <nuclides>Zr90 total</nuclides>
+    <scores>total</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="103">
+    <filters>106 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="104">
+    <filters>106 5 6</filters>
+    <nuclides>Zr90 total</nuclides>
+    <scores>nu-scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="105">
+    <filters>106 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="106">
+    <filters>106 2</filters>
+    <nuclides>Zr90 total</nuclides>
+    <scores>absorption</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="107">
+    <filters>106 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="108">
+    <filters>106 2</filters>
+    <nuclides>Zr90 total</nuclides>
+    <scores>absorption</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="109">
+    <filters>106 2</filters>
+    <nuclides>Zr90 total</nuclides>
+    <scores>(n,2n)</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="110">
+    <filters>106 2</filters>
+    <nuclides>Zr90 total</nuclides>
+    <scores>(n,3n)</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="111">
+    <filters>106 2</filters>
+    <nuclides>Zr90 total</nuclides>
+    <scores>(n,4n)</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="112">
+    <filters>106 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="113">
+    <filters>106 2</filters>
+    <nuclides>Zr90 total</nuclides>
+    <scores>absorption</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="114">
+    <filters>106 2</filters>
+    <nuclides>Zr90 total</nuclides>
+    <scores>fission</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="115">
+    <filters>106 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="116">
+    <filters>106 2</filters>
+    <nuclides>Zr90 total</nuclides>
+    <scores>fission</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="117">
+    <filters>106 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="118">
+    <filters>106 2</filters>
+    <nuclides>Zr90 total</nuclides>
+    <scores>nu-fission</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="119">
+    <filters>106 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="120">
+    <filters>106 2</filters>
+    <nuclides>Zr90 total</nuclides>
+    <scores>kappa-fission</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="121">
+    <filters>106 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="122">
+    <filters>106 2</filters>
+    <nuclides>Zr90 total</nuclides>
+    <scores>scatter</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="123">
+    <filters>106 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="124">
+    <filters>106 2</filters>
+    <nuclides>Zr90 total</nuclides>
+    <scores>nu-scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="125">
+    <filters>106 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="126">
+    <filters>106 2 5 30</filters>
+    <nuclides>Zr90 total</nuclides>
+    <scores>scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="127">
+    <filters>106 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="128">
+    <filters>106 2 5 30</filters>
+    <nuclides>Zr90 total</nuclides>
+    <scores>nu-scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="129">
+    <filters>106 2 5</filters>
+    <nuclides>Zr90 total</nuclides>
+    <scores>nu-scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="130">
+    <filters>106 2 5</filters>
+    <nuclides>Zr90 total</nuclides>
+    <scores>scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="131">
+    <filters>106 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="132">
+    <filters>106 2 5</filters>
+    <nuclides>Zr90 total</nuclides>
+    <scores>nu-fission</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="133">
+    <filters>106 2 5</filters>
+    <nuclides>Zr90 total</nuclides>
+    <scores>scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="134">
+    <filters>106 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="135">
+    <filters>106 2</filters>
+    <nuclides>Zr90 total</nuclides>
+    <scores>scatter</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="136">
+    <filters>106 2 5 30</filters>
+    <nuclides>Zr90 total</nuclides>
+    <scores>scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="137">
+    <filters>106 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="138">
+    <filters>106 2</filters>
+    <nuclides>Zr90 total</nuclides>
+    <scores>scatter</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="139">
+    <filters>106 2 5 30</filters>
+    <nuclides>Zr90 total</nuclides>
+    <scores>scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="140">
+    <filters>106 2 5</filters>
+    <nuclides>Zr90 total</nuclides>
+    <scores>nu-scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="141">
+    <filters>106 54</filters>
+    <nuclides>Zr90 total</nuclides>
+    <scores>nu-fission</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="142">
+    <filters>106 5</filters>
+    <nuclides>Zr90 total</nuclides>
+    <scores>nu-fission</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="143">
+    <filters>106 54</filters>
+    <nuclides>Zr90 total</nuclides>
+    <scores>prompt-nu-fission</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="144">
+    <filters>106 5</filters>
+    <nuclides>Zr90 total</nuclides>
+    <scores>prompt-nu-fission</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="145">
+    <filters>106 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="146">
+    <filters>106 2</filters>
+    <nuclides>Zr90 total</nuclides>
+    <scores>inverse-velocity</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="147">
+    <filters>106 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="148">
+    <filters>106 2</filters>
+    <nuclides>Zr90 total</nuclides>
+    <scores>prompt-nu-fission</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="149">
+    <filters>106 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="150">
+    <filters>106 2 5</filters>
+    <nuclides>Zr90 total</nuclides>
+    <scores>prompt-nu-fission</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="151">
+    <filters>106 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="152">
+    <filters>106 2</filters>
+    <nuclides>Zr90 total</nuclides>
+    <scores>total</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="153">
+    <filters>106 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="154">
+    <filters>106 5 6</filters>
+    <nuclides>Zr90 total</nuclides>
+    <scores>scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="155">
+    <filters>106 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="156">
+    <filters>106 2</filters>
+    <nuclides>Zr90 total</nuclides>
+    <scores>total</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="157">
+    <filters>106 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="158">
+    <filters>106 5 6</filters>
+    <nuclides>Zr90 total</nuclides>
+    <scores>nu-scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="159">
+    <filters>106 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="160">
+    <filters>106 2</filters>
+    <nuclides>Zr90 total</nuclides>
+    <scores>(n,elastic)</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="161">
+    <filters>106 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="162">
+    <filters>106 2</filters>
+    <nuclides>Zr90 total</nuclides>
+    <scores>(n,level)</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="163">
+    <filters>106 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="164">
+    <filters>106 2</filters>
+    <nuclides>Zr90 total</nuclides>
+    <scores>(n,2n)</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="165">
+    <filters>106 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="166">
+    <filters>106 2</filters>
+    <nuclides>Zr90 total</nuclides>
+    <scores>(n,na)</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="167">
+    <filters>106 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="168">
+    <filters>106 2</filters>
+    <nuclides>Zr90 total</nuclides>
+    <scores>(n,nc)</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="169">
+    <filters>106 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="170">
+    <filters>106 2</filters>
+    <nuclides>Zr90 total</nuclides>
+    <scores>(n,gamma)</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="171">
+    <filters>106 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="172">
+    <filters>106 2</filters>
+    <nuclides>Zr90 total</nuclides>
+    <scores>(n,a)</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="173">
+    <filters>106 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="174">
+    <filters>106 2</filters>
+    <nuclides>Zr90 total</nuclides>
+    <scores>(n,Xa)</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="175">
+    <filters>106 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="176">
+    <filters>106 2</filters>
+    <nuclides>Zr90 total</nuclides>
+    <scores>heating</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="177">
+    <filters>106 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="178">
+    <filters>106 2</filters>
+    <nuclides>Zr90 total</nuclides>
+    <scores>damage-energy</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="179">
+    <filters>106 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="180">
+    <filters>106 2</filters>
+    <nuclides>Zr90 total</nuclides>
+    <scores>(n,n1)</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="181">
+    <filters>106 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="182">
+    <filters>106 2</filters>
+    <nuclides>Zr90 total</nuclides>
+    <scores>(n,a0)</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="183">
+    <filters>106 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="184">
+    <filters>106 2 5</filters>
+    <nuclides>Zr90 total</nuclides>
+    <scores>(n,nc)</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="185">
+    <filters>106 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="186">
+    <filters>106 2 5</filters>
+    <nuclides>Zr90 total</nuclides>
+    <scores>(n,n1)</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="187">
+    <filters>106 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="188">
+    <filters>106 2 5</filters>
+    <nuclides>Zr90 total</nuclides>
+    <scores>(n,2n)</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="189">
+    <filters>211 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="190">
+    <filters>211 2</filters>
+    <nuclides>H1 total</nuclides>
+    <scores>total</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="191">
+    <filters>211 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="192">
+    <filters>211 2</filters>
+    <nuclides>H1 total</nuclides>
+    <scores>total</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="193">
+    <filters>211 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="194">
+    <filters>211 5 6</filters>
+    <nuclides>H1 total</nuclides>
+    <scores>scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="195">
+    <filters>211 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="196">
+    <filters>211 2</filters>
+    <nuclides>H1 total</nuclides>
+    <scores>total</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="197">
+    <filters>211 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="198">
+    <filters>211 5 6</filters>
+    <nuclides>H1 total</nuclides>
+    <scores>nu-scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="199">
+    <filters>211 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="200">
+    <filters>211 2</filters>
+    <nuclides>H1 total</nuclides>
+    <scores>absorption</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="201">
+    <filters>211 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="202">
+    <filters>211 2</filters>
+    <nuclides>H1 total</nuclides>
+    <scores>absorption</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="203">
+    <filters>211 2</filters>
+    <nuclides>H1 total</nuclides>
+    <scores>(n,2n)</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="204">
+    <filters>211 2</filters>
+    <nuclides>H1 total</nuclides>
+    <scores>(n,3n)</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="205">
+    <filters>211 2</filters>
+    <nuclides>H1 total</nuclides>
+    <scores>(n,4n)</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="206">
+    <filters>211 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="207">
+    <filters>211 2</filters>
+    <nuclides>H1 total</nuclides>
+    <scores>absorption</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="208">
+    <filters>211 2</filters>
+    <nuclides>H1 total</nuclides>
+    <scores>fission</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="209">
+    <filters>211 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="210">
+    <filters>211 2</filters>
+    <nuclides>H1 total</nuclides>
+    <scores>fission</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="211">
+    <filters>211 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="212">
+    <filters>211 2</filters>
+    <nuclides>H1 total</nuclides>
+    <scores>nu-fission</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="213">
+    <filters>211 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="214">
+    <filters>211 2</filters>
+    <nuclides>H1 total</nuclides>
+    <scores>kappa-fission</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="215">
+    <filters>211 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="216">
+    <filters>211 2</filters>
+    <nuclides>H1 total</nuclides>
+    <scores>scatter</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="217">
+    <filters>211 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="218">
+    <filters>211 2</filters>
+    <nuclides>H1 total</nuclides>
+    <scores>nu-scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="219">
+    <filters>211 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="220">
+    <filters>211 2 5 30</filters>
+    <nuclides>H1 total</nuclides>
+    <scores>scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="221">
+    <filters>211 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="222">
+    <filters>211 2 5 30</filters>
+    <nuclides>H1 total</nuclides>
+    <scores>nu-scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="223">
+    <filters>211 2 5</filters>
+    <nuclides>H1 total</nuclides>
+    <scores>nu-scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="224">
+    <filters>211 2 5</filters>
+    <nuclides>H1 total</nuclides>
+    <scores>scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="225">
+    <filters>211 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="226">
+    <filters>211 2 5</filters>
+    <nuclides>H1 total</nuclides>
+    <scores>nu-fission</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="227">
+    <filters>211 2 5</filters>
+    <nuclides>H1 total</nuclides>
+    <scores>scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="228">
+    <filters>211 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="229">
+    <filters>211 2</filters>
+    <nuclides>H1 total</nuclides>
+    <scores>scatter</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="230">
+    <filters>211 2 5 30</filters>
+    <nuclides>H1 total</nuclides>
+    <scores>scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="231">
+    <filters>211 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="232">
+    <filters>211 2</filters>
+    <nuclides>H1 total</nuclides>
+    <scores>scatter</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="233">
+    <filters>211 2 5 30</filters>
+    <nuclides>H1 total</nuclides>
+    <scores>scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="234">
+    <filters>211 2 5</filters>
+    <nuclides>H1 total</nuclides>
+    <scores>nu-scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="235">
+    <filters>211 54</filters>
+    <nuclides>H1 total</nuclides>
+    <scores>nu-fission</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="236">
+    <filters>211 5</filters>
+    <nuclides>H1 total</nuclides>
+    <scores>nu-fission</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="237">
+    <filters>211 54</filters>
+    <nuclides>H1 total</nuclides>
+    <scores>prompt-nu-fission</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="238">
+    <filters>211 5</filters>
+    <nuclides>H1 total</nuclides>
+    <scores>prompt-nu-fission</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="239">
+    <filters>211 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="240">
+    <filters>211 2</filters>
+    <nuclides>H1 total</nuclides>
+    <scores>inverse-velocity</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="241">
+    <filters>211 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="242">
+    <filters>211 2</filters>
+    <nuclides>H1 total</nuclides>
+    <scores>prompt-nu-fission</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="243">
+    <filters>211 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="244">
+    <filters>211 2 5</filters>
+    <nuclides>H1 total</nuclides>
+    <scores>prompt-nu-fission</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="245">
+    <filters>211 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="246">
+    <filters>211 2</filters>
+    <nuclides>H1 total</nuclides>
+    <scores>total</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="247">
+    <filters>211 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="248">
+    <filters>211 5 6</filters>
+    <nuclides>H1 total</nuclides>
+    <scores>scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="249">
+    <filters>211 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="250">
+    <filters>211 2</filters>
+    <nuclides>H1 total</nuclides>
+    <scores>total</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="251">
+    <filters>211 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="252">
+    <filters>211 5 6</filters>
+    <nuclides>H1 total</nuclides>
+    <scores>nu-scatter</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="253">
+    <filters>211 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="254">
+    <filters>211 2</filters>
+    <nuclides>H1 total</nuclides>
+    <scores>(n,elastic)</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="255">
+    <filters>211 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="256">
+    <filters>211 2</filters>
+    <nuclides>H1 total</nuclides>
+    <scores>(n,level)</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="257">
+    <filters>211 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="258">
+    <filters>211 2</filters>
+    <nuclides>H1 total</nuclides>
+    <scores>(n,2n)</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="259">
+    <filters>211 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="260">
+    <filters>211 2</filters>
+    <nuclides>H1 total</nuclides>
+    <scores>(n,na)</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="261">
+    <filters>211 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="262">
+    <filters>211 2</filters>
+    <nuclides>H1 total</nuclides>
+    <scores>(n,nc)</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="263">
+    <filters>211 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="264">
+    <filters>211 2</filters>
+    <nuclides>H1 total</nuclides>
+    <scores>(n,gamma)</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="265">
+    <filters>211 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="266">
+    <filters>211 2</filters>
+    <nuclides>H1 total</nuclides>
+    <scores>(n,a)</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="267">
+    <filters>211 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="268">
+    <filters>211 2</filters>
+    <nuclides>H1 total</nuclides>
+    <scores>(n,Xa)</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="269">
+    <filters>211 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="270">
+    <filters>211 2</filters>
+    <nuclides>H1 total</nuclides>
+    <scores>heating</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="271">
+    <filters>211 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="272">
+    <filters>211 2</filters>
+    <nuclides>H1 total</nuclides>
+    <scores>damage-energy</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="273">
+    <filters>211 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="274">
+    <filters>211 2</filters>
+    <nuclides>H1 total</nuclides>
+    <scores>(n,n1)</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="275">
+    <filters>211 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="276">
+    <filters>211 2</filters>
+    <nuclides>H1 total</nuclides>
+    <scores>(n,a0)</scores>
+    <estimator>tracklength</estimator>
+  </tally>
+  <tally id="277">
+    <filters>211 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="278">
+    <filters>211 2 5</filters>
+    <nuclides>H1 total</nuclides>
+    <scores>(n,nc)</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="279">
+    <filters>211 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="280">
+    <filters>211 2 5</filters>
+    <nuclides>H1 total</nuclides>
+    <scores>(n,n1)</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="281">
+    <filters>211 2</filters>
+    <nuclides>total</nuclides>
+    <scores>flux</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="282">
+    <filters>211 2 5</filters>
+    <nuclides>H1 total</nuclides>
+    <scores>(n,2n)</scores>
+    <estimator>analog</estimator>
+  </tally>
+</tallies>
diff --git a/tests/regression_tests/mgxs_library_specific_nuclides/results_true.dat b/tests/regression_tests/mgxs_library_specific_nuclides/results_true.dat
new file mode 100644
index 000000000..05ee40902
--- /dev/null
+++ b/tests/regression_tests/mgxs_library_specific_nuclides/results_true.dat
@@ -0,0 +1 @@
+3e86542d1166b8a0bcc61742b88c9e931d63733477f3274b32b4da64d8f05413fa6330d5615f44f24735c2c2f77d3071f3dce38faba284c321ceab81c1064480
\ No newline at end of file
diff --git a/tests/regression_tests/mgxs_library_specific_nuclides/test.py b/tests/regression_tests/mgxs_library_specific_nuclides/test.py
new file mode 100644
index 000000000..41ae0a689
--- /dev/null
+++ b/tests/regression_tests/mgxs_library_specific_nuclides/test.py
@@ -0,0 +1,71 @@
+import hashlib
+
+import openmc
+import openmc.mgxs
+from openmc.examples import pwr_pin_cell
+
+from tests.testing_harness import PyAPITestHarness
+
+
+class MGXSTestHarness(PyAPITestHarness):
+    def __init__(self, *args, **kwargs):
+        super().__init__(*args, **kwargs)
+
+        # Initialize a two-group structure
+        energy_groups = openmc.mgxs.EnergyGroups(group_edges=[0, 0.625, 20.e6])
+
+        # Initialize MGXS Library for a few cross section types
+        self.mgxs_lib = openmc.mgxs.Library(self._model.geometry)
+        self.mgxs_lib.by_nuclide = True
+
+        # Test relevant MGXS types
+        relevant_MGXS_TYPES = [item for item in openmc.mgxs.MGXS_TYPES
+                               if item != 'current']
+        # Add in a subset of openmc.mgxs.ARBITRARY_VECTOR_TYPES and
+        # openmc.mgxs.ARBITRARY_MATRIX_TYPES so we can see the code works,
+        # but not use too much resources
+        relevant_MGXS_TYPES += [
+            "(n,elastic)",  "(n,level)",  "(n,2n)",  "(n,na)",  "(n,nc)",
+            "(n,gamma)",  "(n,a)",  "(n,Xa)",  "heating",  "damage-energy",
+            "(n,n1)",  "(n,a0)",  "(n,nc) matrix",  "(n,n1) matrix",
+            "(n,2n) matrix"]
+        self.mgxs_lib.mgxs_types = tuple(relevant_MGXS_TYPES)
+        self.mgxs_lib.energy_groups = energy_groups
+        self.mgxs_lib.legendre_order = 3
+        self.mgxs_lib.domain_type = 'material'
+        self.mgxs_lib.nuclides=['U235','Zr90','H1']
+        self.mgxs_lib.build_library()
+
+        # Add tallies
+        self.mgxs_lib.add_to_tallies_file(self._model.tallies, merge=False)
+
+    def _get_results(self, hash_output=True):
+        """Digest info in the statepoint and return as a string."""
+
+        # Read the statepoint file.
+        sp = openmc.StatePoint(self._sp_name)
+
+        # Load the MGXS library from the statepoint
+        self.mgxs_lib.load_from_statepoint(sp)
+
+        # Build a string from Pandas Dataframe for each MGXS
+        outstr = ''
+        for domain in self.mgxs_lib.domains:
+            for mgxs_type in self.mgxs_lib.mgxs_types:
+                mgxs = self.mgxs_lib.get_mgxs(domain, mgxs_type)
+                df = mgxs.get_pandas_dataframe()
+                outstr += df.to_string() + '\n'
+
+        # Hash the results if necessary
+        if hash_output:
+            sha512 = hashlib.sha512()
+            sha512.update(outstr.encode('utf-8'))
+            outstr = sha512.hexdigest()
+
+        return outstr
+
+
+def test_mgxs_library_specific_nuclides():
+    model = pwr_pin_cell()
+    harness = MGXSTestHarness('statepoint.10.h5', model)
+    harness.main()

From a704ec73f26a7e89de06c2e2303ee170f0adf5cf Mon Sep 17 00:00:00 2001
From: guyshtot <guyshtot@gmail.com>
Date: Thu, 23 Mar 2023 13:12:36 +0200
Subject: [PATCH 1665/2654] Applied CR suggestion

---
 openmc/mgxs/library.py | 6 ++++--
 1 file changed, 4 insertions(+), 2 deletions(-)

diff --git a/openmc/mgxs/library.py b/openmc/mgxs/library.py
index 0eb00c8f1..1c3a5dbb4 100644
--- a/openmc/mgxs/library.py
+++ b/openmc/mgxs/library.py
@@ -547,8 +547,10 @@ class Library:
                         domain_nuclides = None
                     if self.nuclides:
                         if domain_nuclides:
-                            mgxs.nuclides = [nuclide for nuclide in self.nuclides if nuclide in domain_nuclides] + [
-                                "total"]
+                            mgxs.nuclides = [
+                                                nuclide for nuclide in self.nuclides
+                                                if nuclide in domain_nuclides
+                                            ] + ["total"]
                         else:
                             mgxs.nuclides = self.nuclides
 

From 10787a2da6c4a154464c61df5e7e4823f686cb2b Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 23 Mar 2023 13:37:26 -0500
Subject: [PATCH 1666/2654] Account for coincident position in find_r_crossing

---
 src/mesh.cpp                         | 10 +--
 tests/unit_tests/test_filter_mesh.py | 97 ++++++++++++++++++++++++++++
 2 files changed, 103 insertions(+), 4 deletions(-)

diff --git a/src/mesh.cpp b/src/mesh.cpp
index 02e5171bb..306e56070 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -1075,7 +1075,8 @@ double CylindricalMesh::find_r_crossing(
   const double inv_denominator = 1.0 / denominator;
 
   const double p = (u.x * r.x + u.y * r.y) * inv_denominator;
-  double D = p * p + (r0 * r0 - r.x * r.x - r.y * r.y) * inv_denominator;
+  double c = r.x * r.x + r.y * r.y - r0 * r0;
+  double D = p * p - c * inv_denominator;
 
   if (D < 0.0)
     return INFTY;
@@ -1083,7 +1084,7 @@ double CylindricalMesh::find_r_crossing(
   D = std::sqrt(D);
 
   // the solution -p - D is always smaller as -p + D : Check this one first
-  if (-p - D > l)
+  if (-p - D > l && std::abs(c) > FP_COINCIDENT)
     return -p - D;
   if (-p + D > l)
     return -p + D;
@@ -1303,12 +1304,13 @@ double SphericalMesh::find_r_crossing(
   // |r+s*u| = |r| + 2*s*r*u + s^2 (|u|==1 !)
   const double r0 = grid_[0][shell];
   const double p = r.dot(u);
-  double D = p * p - r.dot(r) + r0 * r0;
+  double c = r.dot(r) - r0 * r0;
+  double D = p * p - c;
 
   if (D >= 0.0) {
     D = std::sqrt(D);
     // the solution -p - D is always smaller as -p + D : Check this one first
-    if (-p - D > l)
+    if (-p - D > l && std::abs(c) > FP_COINCIDENT)
       return -p - D;
     if (-p + D > l)
       return -p + D;
diff --git a/tests/unit_tests/test_filter_mesh.py b/tests/unit_tests/test_filter_mesh.py
index 3bb836e46..5e5a84f7b 100644
--- a/tests/unit_tests/test_filter_mesh.py
+++ b/tests/unit_tests/test_filter_mesh.py
@@ -1,6 +1,7 @@
 import math
 
 import numpy as np
+import pytest
 from uncertainties import unumpy
 
 import openmc
@@ -112,6 +113,102 @@ def test_cylindrical_mesh_estimators(run_in_tmpdir):
     std_dev = unumpy.std_devs(delta)
     assert np.all(diff < 3*std_dev)
 
+
+def test_cylindrical_mesh_coincident(run_in_tmpdir):
+    """Test for cylindrical mesh boundary being coincident with a cell boundary"""
+
+    fuel = openmc.Material()
+    fuel.add_nuclide('U235', 1.)
+    fuel.set_density('g/cm3', 4.5)
+
+    zcyl = openmc.ZCylinder(r=1.25)
+    box = openmc.rectangular_prism(4.0, 4.0, boundary_type='reflective')
+    cell1 = openmc.Cell(fill=fuel, region=-zcyl)
+    cell2 = openmc.Cell(fill=None, region=+zcyl & box)
+    model = openmc.Model()
+    model.geometry = openmc.Geometry([cell1, cell2])
+
+    model.settings.particles = 100
+    model.settings.batches = 10
+    model.settings.inactive = 0
+
+    cyl_mesh = openmc.CylindricalMesh()
+    cyl_mesh.r_grid = [0., 1.25]
+    cyl_mesh.phi_grid = [0., 2*math.pi]
+    cyl_mesh.z_grid = [-1e10, 1e10]
+    cyl_mesh_filter = openmc.MeshFilter(cyl_mesh)
+    cell_filter = openmc.CellFilter([cell1])
+
+    tally1 = openmc.Tally()
+    tally1.filters = [cyl_mesh_filter]
+    tally1.scores = ['flux']
+    tally2 = openmc.Tally()
+    tally2.filters = [cell_filter]
+    tally2.scores = ['flux']
+    model.tallies = openmc.Tallies([tally1, tally2])
+
+    # Run OpenMC
+    sp_filename = model.run()
+
+    # Get flux for each of the two tallies
+    with openmc.StatePoint(sp_filename) as sp:
+        t1 = sp.tallies[tally1.id]
+        t2 = sp.tallies[tally2.id]
+        mean1 = t1.mean.ravel()[0]
+        mean2 = t2.mean.ravel()[0]
+
+    # The two tallies should be exactly the same
+    assert mean1 == pytest.approx(mean2)
+
+
+def test_spherical_mesh_coincident(run_in_tmpdir):
+    """Test for spherical mesh boundary being coincident with a cell boundary"""
+
+    fuel = openmc.Material()
+    fuel.add_nuclide('U235', 1.)
+    fuel.set_density('g/cm3', 4.5)
+
+    sph = openmc.Sphere(r=1.25)
+    rcc = openmc.model.RectangularParallelepiped(
+        -2.0, 2.0, -2.0, 2.0, -2.0, 2.0, boundary_type='reflective')
+    cell1 = openmc.Cell(fill=fuel, region=-sph)
+    cell2 = openmc.Cell(fill=None, region=+sph & -rcc)
+    model = openmc.Model()
+    model.geometry = openmc.Geometry([cell1, cell2])
+
+    model.settings.particles = 100
+    model.settings.batches = 10
+    model.settings.inactive = 0
+
+    sph_mesh = openmc.SphericalMesh()
+    sph_mesh.r_grid = [0., 1.25]
+    sph_mesh.phi_grid = [0., 2*math.pi]
+    sph_mesh.theta_grid = [0., math.pi]
+    sph_mesh_filter = openmc.MeshFilter(sph_mesh)
+    cell_filter = openmc.CellFilter([cell1])
+
+    tally1 = openmc.Tally()
+    tally1.filters = [sph_mesh_filter]
+    tally1.scores = ['flux']
+    tally2 = openmc.Tally()
+    tally2.filters = [cell_filter]
+    tally2.scores = ['flux']
+    model.tallies = openmc.Tallies([tally1, tally2])
+
+    # Run OpenMC
+    sp_filename = model.run()
+
+    # Get flux for each of the two tallies
+    with openmc.StatePoint(sp_filename) as sp:
+        t1 = sp.tallies[tally1.id]
+        t2 = sp.tallies[tally2.id]
+        mean1 = t1.mean.ravel()[0]
+        mean2 = t2.mean.ravel()[0]
+
+    # The two tallies should be exactly the same
+    assert mean1 == pytest.approx(mean2)
+
+
 def test_get_reshaped_data(run_in_tmpdir):
     """Test that expanding MeshFilter dimensions works as expected"""
 

From e7eb746dc415d8c5822340052a22666302d35a15 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 23 Mar 2023 14:08:03 -0500
Subject: [PATCH 1667/2654] Always use quotes for python-version in ci.yml

---
 .github/workflows/ci.yml | 6 +++---
 1 file changed, 3 insertions(+), 3 deletions(-)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index 82bd70a62..1a905b3cf 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -35,13 +35,13 @@ jobs:
         vectfit: [n]
 
         include:
-          - python-version: 3.7
+          - python-version: "3.7"
             omp: n
             mpi: n
-          - python-version: 3.8
+          - python-version: "3.8"
             omp: n
             mpi: n
-          - python-version: 3.9
+          - python-version: "3.9"
             omp: n
             mpi: n
           - python-version: "3.11"

From e93dd66430d7cae137cae8798b72645cd2d32726 Mon Sep 17 00:00:00 2001
From: Kalin Kiesling <krkiesling@gmail.com>
Date: Thu, 23 Mar 2023 15:07:32 -0500
Subject: [PATCH 1668/2654] eliminate set/list redundancy

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/deplete/helpers.py | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/openmc/deplete/helpers.py b/openmc/deplete/helpers.py
index 90d1ddde4..ec0f65650 100644
--- a/openmc/deplete/helpers.py
+++ b/openmc/deplete/helpers.py
@@ -308,8 +308,8 @@ class FluxCollapseHelper(ReactionRateHelper):
             if self._nuclides_direct is not None:
                 # check if any direct tally nuclides are requested that are not
                 # already loaded with the materials. Load separately if so.
-                mat_nuclides = [n for mat in materials for n in mat.nuclides]
-                extra_nuclides = set(self._nuclides_direct) - set(mat_nuclides)
+                mat_nuclides = {n for mat in materials for n in mat.nuclides}
+                extra_nuclides = set(self._nuclides_direct) - mat_nuclides
                 for nuc in extra_nuclides:
                     load_nuclide(nuc)
                 self._rate_tally.nuclides = self._nuclides_direct

From 7f68462e3a4d6f10914e4812eba67d482e2cb7f1 Mon Sep 17 00:00:00 2001
From: Kalin Kiesling <krkiesling@gmail.com>
Date: Thu, 23 Mar 2023 15:43:03 -0500
Subject: [PATCH 1669/2654] add nuclide that is not in model; (fails locally)

---
 tests/unit_tests/test_deplete_activation.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/tests/unit_tests/test_deplete_activation.py b/tests/unit_tests/test_deplete_activation.py
index 1842ad8ac..cef614f82 100644
--- a/tests/unit_tests/test_deplete_activation.py
+++ b/tests/unit_tests/test_deplete_activation.py
@@ -47,7 +47,7 @@ ENERGIES = np.logspace(log10(1e-5), log10(2e7), 100)
     ("direct", {}, 1e-5),
     ("flux", {'energies': ENERGIES}, 0.01),
     ("flux", {'energies': ENERGIES, 'reactions': ['(n,gamma)']}, 1e-5),
-    ("flux", {'energies': ENERGIES, 'reactions': ['(n,gamma)'], 'nuclides': ['W186']}, 1e-5),
+    ("flux", {'energies': ENERGIES, 'reactions': ['(n,gamma)'], 'nuclides': ['W186', 'H3']}, 1e-5),
 ])
 def test_activation(run_in_tmpdir, model, reaction_rate_mode, reaction_rate_opts, tolerance):
     # Determine (n.gamma) reaction rate using initial run

From 2f5428f739808abc67674fc9fc126e197f3201a9 Mon Sep 17 00:00:00 2001
From: Ethan Peterson <ethan.peterson@mit.edu>
Date: Fri, 24 Mar 2023 12:13:00 -0400
Subject: [PATCH 1670/2654] Update openmc/model/surface_composite.py

Co-authored-by: Patrick Shriwise <pshriwise@gmail.com>
---
 openmc/model/surface_composite.py | 1 -
 1 file changed, 1 deletion(-)

diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index 09c2f4fee..354a62883 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -851,7 +851,6 @@ class Polygon(CompositeSurface):
                     # All 4 cross products are zero
                     # Determine number of unique points, x span and y span for
                     # both line segments
-                    #unique_pts = np.unique(np.vstack((p0, p1, p2, p3)), axis=0)
                     xmin1, xmax1 = min(p0[0], p1[0]), max(p0[0], p1[0])
                     ymin1, ymax1 = min(p0[1], p1[1]), max(p0[1], p1[1])
                     xmin2, xmax2 = min(p2[0], p3[0]), max(p2[0], p3[0])

From 11e618fe81a2d7515a093d9549d083cc82bd73c2 Mon Sep 17 00:00:00 2001
From: Ethan Peterson <ethan.peterson@mit.edu>
Date: Tue, 28 Feb 2023 11:31:04 -0500
Subject: [PATCH 1671/2654] adding export_to_xml to run and updating tests

---
 openmc/model/model.py                         |   11 +-
 src/cell.cpp                                  |    2 +-
 .../adj_cell_rotation/inputs_true.dat         |   74 +-
 .../asymmetric_lattice/inputs_true.dat        |  411 +-
 .../cpp_driver/inputs_true.dat                |   84 +-
 .../create_fission_neutrons/inputs_true.dat   |   71 +-
 .../create_fission_neutrons/test.py           |   16 +-
 .../dagmc/external/inputs_true.dat            |   77 +-
 .../dagmc/legacy/inputs_true.dat              |   75 +-
 .../dagmc/refl/inputs_true.dat                |   55 +-
 tests/regression_tests/dagmc/refl/test.py     |   23 +-
 .../dagmc/universes/inputs_true.dat           |  108 +-
 .../regression_tests/dagmc/universes/test.py  |   23 +-
 .../dagmc/uwuw/inputs_true.dat                |   55 +-
 tests/regression_tests/dagmc/uwuw/test.py     |   22 +-
 .../diff_tally/inputs_true.dat                |  723 ++-
 .../distribmat/inputs_true.dat                |  117 +-
 .../distribmat/results_true.dat               |    2 +-
 tests/regression_tests/distribmat/test.py     |   17 +-
 .../eigenvalue_genperbatch/inputs_true.dat    |   59 +-
 .../energy_cutoff/inputs_true.dat             |   81 +-
 tests/regression_tests/energy_cutoff/test.py  |   15 +-
 .../energy_laws/inputs_true.dat               |   44 +-
 .../external_moab/inputs_true.dat             |  143 +-
 tests/regression_tests/external_moab/test.py  |    2 -
 .../filter_cellinstance/inputs_true.dat       |  119 +-
 .../filter_energyfun/inputs_true.dat          |  209 +-
 .../filter_mesh/inputs_true.dat               |  301 +-
 .../filter_translations/inputs_true.dat       |  165 +-
 .../fixed_source/inputs_true.dat              |   59 +-
 .../iso_in_lab/inputs_true.dat                |  488 +--
 .../lattice_hex_coincident/inputs_true.dat    |  160 +-
 .../lattice_hex_coincident/test.py            |   13 +-
 .../lattice_hex_x/inputs_true.dat             |  160 +-
 tests/regression_tests/lattice_hex_x/test.py  |   15 +-
 .../lattice_multiple/inputs_true.dat          |   96 +-
 .../lattice_rotated/inputs_true.dat           |  114 +-
 .../regression_tests/mg_basic/inputs_true.dat |  126 +-
 .../mg_basic_delayed/inputs_true.dat          |  124 +-
 .../mg_convert/inputs_true.dat                |   56 +-
 tests/regression_tests/mg_convert/test.py     |   12 +-
 .../mg_legendre/inputs_true.dat               |   64 +-
 .../mg_max_order/inputs_true.dat              |   66 +-
 .../mg_survival_biasing/inputs_true.dat       |   66 +-
 .../mg_tallies/inputs_true.dat                |  327 +-
 .../mgxs_library_ce_to_mg/inputs_true.dat     |  499 ++-
 .../mgxs_library_ce_to_mg/test.py             |    9 +-
 .../inputs_true.dat                           |  499 ++-
 .../mgxs_library_ce_to_mg_nuclides/test.py    |    9 +-
 .../mgxs_library_condense/inputs_true.dat     | 1061 +++--
 .../mgxs_library_correction/inputs_true.dat   |  685 ++-
 .../mgxs_library_distribcell/inputs_true.dat  | 1047 +++--
 .../mgxs_library_hdf5/inputs_true.dat         | 1061 +++--
 .../mgxs_library_histogram/inputs_true.dat    |  535 ++-
 .../mgxs_library_mesh/inputs_true.dat         | 1021 +++--
 .../mgxs_library_no_nuclides/inputs_true.dat  | 3901 ++++++++---------
 .../mgxs_library_nuclides/inputs_true.dat     | 3535 ++++++++-------
 .../multipole/inputs_true.dat                 |  103 +-
 .../regression_tests/ncrystal/inputs_true.dat |   87 +-
 .../regression_tests/periodic/inputs_true.dat |   72 +-
 .../periodic_6fold/inputs_true.dat            |   66 +-
 .../periodic_hex/inputs_true.dat              |   46 +-
 .../photon_production/inputs_true.dat         |  133 +-
 .../photon_production_fission/inputs_true.dat |   95 +-
 .../photon_source/inputs_true.dat             |   87 +-
 tests/regression_tests/photon_source/test.py  |   15 +-
 .../resonance_scattering/inputs_true.dat      |   66 +-
 .../resonance_scattering/test.py              |   14 +-
 .../salphabeta/inputs_true.dat                |  118 +-
 .../score_current/inputs_true.dat             |  107 +-
 tests/regression_tests/source/inputs_true.dat |  298 +-
 tests/regression_tests/source/test.py         |   14 +-
 .../source_dlopen/inputs_true.dat             |   44 +-
 .../inputs_true.dat                           |   44 +-
 .../surface_source/inputs_true_read.dat       |   65 +-
 .../surface_source/inputs_true_write.dat      |   77 +-
 .../surface_source/surface_source_true.h5     |  Bin 106144 -> 106144 bytes
 .../surface_tally/inputs_true.dat             |  203 +-
 tests/regression_tests/surface_tally/test.py  |   15 +-
 .../regression_tests/tallies/inputs_true.dat  |  853 ++--
 .../tally_aggregation/inputs_true.dat         |  107 +-
 .../tally_arithmetic/inputs_true.dat          |  109 +-
 .../tally_slice_merge/inputs_true.dat         |  541 ++-
 tests/regression_tests/torus/inputs_true.dat  |   66 +-
 .../torus/large_major/inputs_true.dat         |   71 +-
 .../inputs_true.dat                           |   67 +-
 tests/regression_tests/triso/inputs_true.dat  |  878 ++--
 tests/regression_tests/triso/test.py          |   14 +-
 .../unstructured_mesh/inputs_true.dat         |  179 +-
 .../unstructured_mesh/inputs_true0.dat        |  179 +-
 .../unstructured_mesh/inputs_true1.dat        |  179 +-
 .../unstructured_mesh/inputs_true10.dat       |  179 +-
 .../unstructured_mesh/inputs_true11.dat       |  179 +-
 .../unstructured_mesh/inputs_true12.dat       |  179 +-
 .../unstructured_mesh/inputs_true13.dat       |  179 +-
 .../unstructured_mesh/inputs_true14.dat       |  179 +-
 .../unstructured_mesh/inputs_true15.dat       |  179 +-
 .../unstructured_mesh/inputs_true2.dat        |  179 +-
 .../unstructured_mesh/inputs_true3.dat        |  179 +-
 .../unstructured_mesh/inputs_true4.dat        |  181 +-
 .../unstructured_mesh/inputs_true5.dat        |  181 +-
 .../unstructured_mesh/inputs_true6.dat        |  181 +-
 .../unstructured_mesh/inputs_true7.dat        |  181 +-
 .../unstructured_mesh/inputs_true8.dat        |  179 +-
 .../unstructured_mesh/inputs_true9.dat        |  179 +-
 tests/regression_tests/void/inputs_true.dat   |  261 +-
 .../volume_calc/inputs_true.dat               |  148 +-
 .../volume_calc/inputs_true_mg.dat            |  150 +-
 tests/regression_tests/volume_calc/test.py    |   10 +-
 .../weightwindows/inputs_true.dat             |  189 +-
 tests/testing_harness.py                      |    7 +-
 111 files changed, 13560 insertions(+), 13643 deletions(-)

diff --git a/openmc/model/model.py b/openmc/model/model.py
index 3e0422eb1..78f02242f 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -596,7 +596,8 @@ class Model:
 
     def run(self, particles=None, threads=None, geometry_debug=False,
             restart_file=None, tracks=False, output=True, cwd='.',
-            openmc_exec='openmc', mpi_args=None, event_based=None):
+            openmc_exec='openmc', mpi_args=None, event_based=None,
+            export_model_xml=True):
         """Runs OpenMC. If the C API has been initialized, then the C API is
         used, otherwise, this method creates the XML files and runs OpenMC via
         a system call. In both cases this method returns the path to the last
@@ -639,6 +640,9 @@ class Model:
         event_based : None or bool, optional
             Turns on event-based parallelism if True. If None, the value in
             the Settings will be used.
+        export_model_xml : bool, optional
+            Exports a single model.xml file rather than separate files.
+            Defaults to True.
 
         Returns
         -------
@@ -688,7 +692,10 @@ class Model:
 
             else:
                 # Then run via the command line
-                self.export_to_xml()
+                if export_model_xml:
+                    self.export_to_model_xml()
+                else:
+                    self.export_to_xml()
                 openmc.run(particles, threads, geometry_debug, restart_file,
                            tracks, output, Path('.'), openmc_exec, mpi_args,
                            event_based)
diff --git a/src/cell.cpp b/src/cell.cpp
index 9ba14c6cf..c96abf39b 100644
--- a/src/cell.cpp
+++ b/src/cell.cpp
@@ -291,7 +291,7 @@ CSGCell::CSGCell(pugi::xml_node cell_node)
   if (fill_present) {
     fill_ = std::stoi(get_node_value(cell_node, "fill"));
     if (fill_ == universe_) {
-      fatal_error(fmt::format("Cell {} is filled with the same universe that"
+      fatal_error(fmt::format("Cell {} is filled with the same universe that "
                               "it is contained in.",
         id_));
     }
diff --git a/tests/regression_tests/adj_cell_rotation/inputs_true.dat b/tests/regression_tests/adj_cell_rotation/inputs_true.dat
index 24b00199b..1c4516f42 100644
--- a/tests/regression_tests/adj_cell_rotation/inputs_true.dat
+++ b/tests/regression_tests/adj_cell_rotation/inputs_true.dat
@@ -1,38 +1,38 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell id="1" material="1" region="-1" universe="1" />
-  <cell id="2" material="2" region="1" universe="1" />
-  <cell fill="1" id="3" region="2 -3 4 -5 6 -8" rotation="10 20 30" universe="2" />
-  <cell fill="1" id="4" region="2 -3 4 -5 8 -7" translation="0 0 15" universe="2" />
-  <surface coeffs="1.0 0.0 0.0 5.0" id="1" type="sphere" />
-  <surface boundary="vacuum" coeffs="-7.5" id="2" name="minimum x" type="x-plane" />
-  <surface boundary="vacuum" coeffs="7.5" id="3" name="maximum x" type="x-plane" />
-  <surface boundary="vacuum" coeffs="-7.5" id="4" name="minimum y" type="y-plane" />
-  <surface boundary="vacuum" coeffs="7.5" id="5" name="maximum y" type="y-plane" />
-  <surface boundary="vacuum" coeffs="-7.5" id="6" type="z-plane" />
-  <surface boundary="vacuum" coeffs="22.5" id="7" type="z-plane" />
-  <surface coeffs="7.5" id="8" type="z-plane" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-  <material depletable="true" id="1">
-    <density units="g/cc" value="10.0" />
-    <nuclide ao="1.0" name="U235" />
-  </material>
-  <material id="2">
-    <density units="g/cc" value="0.1" />
-    <nuclide ao="0.1" name="H1" />
-  </material>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>eigenvalue</run_mode>
-  <particles>10000</particles>
-  <batches>10</batches>
-  <inactive>5</inactive>
-  <source strength="1.0">
-    <space type="box">
-      <parameters>-4.0 -4.0 -4.0 4.0 4.0 4.0</parameters>
-    </space>
-  </source>
-</settings>
+<model>
+  <materials>
+    <material depletable="true" id="1">
+      <density units="g/cc" value="10.0" />
+      <nuclide ao="1.0" name="U235" />
+    </material>
+    <material id="2">
+      <density units="g/cc" value="0.1" />
+      <nuclide ao="0.1" name="H1" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="-1" universe="1" />
+    <cell id="2" material="2" region="1" universe="1" />
+    <cell fill="1" id="3" region="2 -3 4 -5 6 -8" rotation="10 20 30" universe="2" />
+    <cell fill="1" id="4" region="2 -3 4 -5 8 -7" translation="0 0 15" universe="2" />
+    <surface coeffs="1.0 0.0 0.0 5.0" id="1" type="sphere" />
+    <surface boundary="vacuum" coeffs="-7.5" id="2" name="minimum x" type="x-plane" />
+    <surface boundary="vacuum" coeffs="7.5" id="3" name="maximum x" type="x-plane" />
+    <surface boundary="vacuum" coeffs="-7.5" id="4" name="minimum y" type="y-plane" />
+    <surface boundary="vacuum" coeffs="7.5" id="5" name="maximum y" type="y-plane" />
+    <surface boundary="vacuum" coeffs="-7.5" id="6" type="z-plane" />
+    <surface boundary="vacuum" coeffs="22.5" id="7" type="z-plane" />
+    <surface coeffs="7.5" id="8" type="z-plane" />
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>10000</particles>
+    <batches>10</batches>
+    <inactive>5</inactive>
+    <source strength="1.0">
+      <space type="box">
+        <parameters>-4.0 -4.0 -4.0 4.0 4.0 4.0</parameters>
+      </space>
+    </source>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/asymmetric_lattice/inputs_true.dat b/tests/regression_tests/asymmetric_lattice/inputs_true.dat
index bbdc79715..b247412e5 100644
--- a/tests/regression_tests/asymmetric_lattice/inputs_true.dat
+++ b/tests/regression_tests/asymmetric_lattice/inputs_true.dat
@@ -1,19 +1,168 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell fill="202" id="1" region="9 -10 11 -12 13 -14" universe="0" />
-  <cell id="27" material="1" region="-1" universe="3" />
-  <cell id="28" material="2" region="1 -2" universe="3" />
-  <cell id="29" material="4" region="2" universe="3" />
-  <cell id="30" material="4" region="-3" universe="4" />
-  <cell id="31" material="2" region="3 -4" universe="4" />
-  <cell id="32" material="4" region="4" universe="4" />
-  <cell id="70" material="4" region="35 -36" universe="7" />
-  <cell fill="101" id="80" region="35 -36" universe="8" />
-  <lattice id="101" name="Fuel assembly (upper half)">
-    <pitch>1.26 1.26</pitch>
-    <dimension>17 17</dimension>
-    <lower_left>-10.71 -10.71</lower_left>
-    <universes>
+<model>
+  <materials>
+    <material depletable="true" id="1" name="UOX fuel">
+      <density units="g/cm3" value="10.062" />
+      <nuclide ao="4.9476e-06" name="U234" />
+      <nuclide ao="0.00048218" name="U235" />
+      <nuclide ao="0.021504" name="U238" />
+      <nuclide ao="1.0801e-08" name="Xe135" />
+      <nuclide ao="0.045737" name="O16" />
+    </material>
+    <material id="2" name="Zircaloy">
+      <density units="g/cm3" value="5.77" />
+      <nuclide ao="0.5145" name="Zr90" />
+      <nuclide ao="0.1122" name="Zr91" />
+      <nuclide ao="0.1715" name="Zr92" />
+      <nuclide ao="0.1738" name="Zr94" />
+      <nuclide ao="0.028" name="Zr96" />
+    </material>
+    <material id="3" name="Cold borated water">
+      <density units="atom/b-cm" value="0.07416" />
+      <nuclide ao="2.0" name="H1" />
+      <nuclide ao="1.0" name="O16" />
+      <nuclide ao="0.000649" name="B10" />
+      <nuclide ao="0.002689" name="B11" />
+      <sab name="c_H_in_H2O" />
+    </material>
+    <material id="4" name="Hot borated water">
+      <density units="atom/b-cm" value="0.06614" />
+      <nuclide ao="2.0" name="H1" />
+      <nuclide ao="1.0" name="O16" />
+      <nuclide ao="0.000649" name="B10" />
+      <nuclide ao="0.002689" name="B11" />
+      <sab name="c_H_in_H2O" />
+    </material>
+    <material id="5" name="Reactor pressure vessel steel">
+      <density units="g/cm3" value="7.9" />
+      <nuclide name="Fe54" wo="0.05437098" />
+      <nuclide name="Fe56" wo="0.88500663" />
+      <nuclide name="Fe57" wo="0.0208008" />
+      <nuclide name="Fe58" wo="0.00282159" />
+      <nuclide name="Ni58" wo="0.0067198" />
+      <nuclide name="Ni60" wo="0.0026776" />
+      <nuclide name="Mn55" wo="0.01" />
+      <nuclide name="Cr52" wo="0.002092475" />
+      <nuclide name="C0" wo="0.0025" />
+      <nuclide name="Cu63" wo="0.0013696" />
+    </material>
+    <material id="6" name="Lower radial reflector">
+      <density units="g/cm3" value="4.32" />
+      <nuclide name="H1" wo="0.0095661" />
+      <nuclide name="O16" wo="0.0759107" />
+      <nuclide name="B10" wo="3.08409e-05" />
+      <nuclide name="B11" wo="0.000140499" />
+      <nuclide name="Fe54" wo="0.035620772088" />
+      <nuclide name="Fe56" wo="0.579805982228" />
+      <nuclide name="Fe57" wo="0.01362750048" />
+      <nuclide name="Fe58" wo="0.001848545204" />
+      <nuclide name="Ni58" wo="0.055298376566" />
+      <nuclide name="Mn55" wo="0.018287" />
+      <nuclide name="Cr52" wo="0.145407678031" />
+      <sab name="c_H_in_H2O" />
+    </material>
+    <material id="7" name="Upper radial reflector / Top plate region">
+      <density units="g/cm3" value="4.28" />
+      <nuclide name="H1" wo="0.0086117" />
+      <nuclide name="O16" wo="0.0683369" />
+      <nuclide name="B10" wo="2.77638e-05" />
+      <nuclide name="B11" wo="0.000126481" />
+      <nuclide name="Fe54" wo="0.035953677186" />
+      <nuclide name="Fe56" wo="0.585224740891" />
+      <nuclide name="Fe57" wo="0.01375486056" />
+      <nuclide name="Fe58" wo="0.001865821363" />
+      <nuclide name="Ni58" wo="0.055815129186" />
+      <nuclide name="Mn55" wo="0.0184579" />
+      <nuclide name="Cr52" wo="0.146766614995" />
+      <sab name="c_H_in_H2O" />
+    </material>
+    <material id="8" name="Bottom plate region">
+      <density units="g/cm3" value="7.184" />
+      <nuclide name="H1" wo="0.0011505" />
+      <nuclide name="O16" wo="0.0091296" />
+      <nuclide name="B10" wo="3.70915e-06" />
+      <nuclide name="B11" wo="1.68974e-05" />
+      <nuclide name="Fe54" wo="0.03855611055" />
+      <nuclide name="Fe56" wo="0.627585036425" />
+      <nuclide name="Fe57" wo="0.014750478" />
+      <nuclide name="Fe58" wo="0.002000875025" />
+      <nuclide name="Ni58" wo="0.059855207342" />
+      <nuclide name="Mn55" wo="0.019794" />
+      <nuclide name="Cr52" wo="0.157390026871" />
+      <sab name="c_H_in_H2O" />
+    </material>
+    <material id="9" name="Bottom nozzle region">
+      <density units="g/cm3" value="2.53" />
+      <nuclide name="H1" wo="0.0245014" />
+      <nuclide name="O16" wo="0.1944274" />
+      <nuclide name="B10" wo="7.89917e-05" />
+      <nuclide name="B11" wo="0.000359854" />
+      <nuclide name="Fe54" wo="0.030411411144" />
+      <nuclide name="Fe56" wo="0.495012237964" />
+      <nuclide name="Fe57" wo="0.01163454624" />
+      <nuclide name="Fe58" wo="0.001578204652" />
+      <nuclide name="Ni58" wo="0.047211231662" />
+      <nuclide name="Mn55" wo="0.0156126" />
+      <nuclide name="Cr52" wo="0.124142524198" />
+      <sab name="c_H_in_H2O" />
+    </material>
+    <material id="10" name="Top nozzle region">
+      <density units="g/cm3" value="1.746" />
+      <nuclide name="H1" wo="0.035887" />
+      <nuclide name="O16" wo="0.2847761" />
+      <nuclide name="B10" wo="0.000115699" />
+      <nuclide name="B11" wo="0.000527075" />
+      <nuclide name="Fe54" wo="0.02644016154" />
+      <nuclide name="Fe56" wo="0.43037146399" />
+      <nuclide name="Fe57" wo="0.0101152584" />
+      <nuclide name="Fe58" wo="0.00137211607" />
+      <nuclide name="Ni58" wo="0.04104621835" />
+      <nuclide name="Mn55" wo="0.0135739" />
+      <nuclide name="Cr52" wo="0.107931450781" />
+      <sab name="c_H_in_H2O" />
+    </material>
+    <material id="11" name="Top of fuel assemblies">
+      <density units="g/cm3" value="3.044" />
+      <nuclide name="H1" wo="0.0162913" />
+      <nuclide name="O16" wo="0.1292776" />
+      <nuclide name="B10" wo="5.25228e-05" />
+      <nuclide name="B11" wo="0.000239272" />
+      <nuclide name="Zr90" wo="0.43313403903" />
+      <nuclide name="Zr91" wo="0.09549277374" />
+      <nuclide name="Zr92" wo="0.14759527104" />
+      <nuclide name="Zr94" wo="0.15280552077" />
+      <nuclide name="Zr96" wo="0.02511169542" />
+      <sab name="c_H_in_H2O" />
+    </material>
+    <material id="12" name="Bottom of fuel assemblies">
+      <density units="g/cm3" value="1.762" />
+      <nuclide name="H1" wo="0.0292856" />
+      <nuclide name="O16" wo="0.2323919" />
+      <nuclide name="B10" wo="9.44159e-05" />
+      <nuclide name="B11" wo="0.00043012" />
+      <nuclide name="Zr90" wo="0.3741373658" />
+      <nuclide name="Zr91" wo="0.0824858164" />
+      <nuclide name="Zr92" wo="0.1274914944" />
+      <nuclide name="Zr94" wo="0.1319920622" />
+      <nuclide name="Zr96" wo="0.0216912612" />
+      <sab name="c_H_in_H2O" />
+    </material>
+  </materials>
+  <geometry>
+    <cell fill="202" id="1" region="9 -10 11 -12 13 -14" universe="0" />
+    <cell id="27" material="1" region="-1" universe="3" />
+    <cell id="28" material="2" region="1 -2" universe="3" />
+    <cell id="29" material="4" region="2" universe="3" />
+    <cell id="30" material="4" region="-3" universe="4" />
+    <cell id="31" material="2" region="3 -4" universe="4" />
+    <cell id="32" material="4" region="4" universe="4" />
+    <cell id="70" material="4" region="35 -36" universe="7" />
+    <cell fill="101" id="80" region="35 -36" universe="8" />
+    <lattice id="101" name="Fuel assembly (upper half)">
+      <pitch>1.26 1.26</pitch>
+      <dimension>17 17</dimension>
+      <lower_left>-10.71 -10.71</lower_left>
+      <universes>
 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
 3 3 3 3 3 4 3 3 4 3 3 4 3 3 3 3 3 
@@ -31,197 +180,47 @@
 3 3 3 3 3 4 3 3 4 3 3 4 3 3 3 3 3 
 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 </universes>
-  </lattice>
-  <lattice id="202" name="3x3 Core Lattice">
-    <pitch>21.42 21.42</pitch>
-    <dimension>3 3</dimension>
-    <lower_left>-32.13 -32.13</lower_left>
-    <universes>
+    </lattice>
+    <lattice id="202" name="3x3 Core Lattice">
+      <pitch>21.42 21.42</pitch>
+      <dimension>3 3</dimension>
+      <lower_left>-32.13 -32.13</lower_left>
+      <universes>
 8 7 7 
 8 8 8 
 7 7 7 </universes>
-  </lattice>
-  <surface coeffs="0.0 0.0 0.41" id="1" type="z-cylinder" />
-  <surface coeffs="0.0 0.0 0.475" id="2" type="z-cylinder" />
-  <surface coeffs="0.0 0.0 0.56" id="3" type="z-cylinder" />
-  <surface coeffs="0.0 0.0 0.62" id="4" type="z-cylinder" />
-  <surface boundary="reflective" coeffs="-32.13" id="9" type="x-plane" />
-  <surface boundary="reflective" coeffs="32.13" id="10" type="x-plane" />
-  <surface boundary="reflective" coeffs="-32.13" id="11" type="y-plane" />
-  <surface boundary="reflective" coeffs="32.13" id="12" type="y-plane" />
-  <surface boundary="reflective" coeffs="0" id="13" type="z-plane" />
-  <surface boundary="reflective" coeffs="32.13" id="14" type="z-plane" />
-  <surface coeffs="0.0" id="35" type="z-plane" />
-  <surface coeffs="183.0" id="36" type="z-plane" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-  <material depletable="true" id="1" name="UOX fuel">
-    <density units="g/cm3" value="10.062" />
-    <nuclide ao="4.9476e-06" name="U234" />
-    <nuclide ao="0.00048218" name="U235" />
-    <nuclide ao="0.021504" name="U238" />
-    <nuclide ao="1.0801e-08" name="Xe135" />
-    <nuclide ao="0.045737" name="O16" />
-  </material>
-  <material id="2" name="Zircaloy">
-    <density units="g/cm3" value="5.77" />
-    <nuclide ao="0.5145" name="Zr90" />
-    <nuclide ao="0.1122" name="Zr91" />
-    <nuclide ao="0.1715" name="Zr92" />
-    <nuclide ao="0.1738" name="Zr94" />
-    <nuclide ao="0.028" name="Zr96" />
-  </material>
-  <material id="3" name="Cold borated water">
-    <density units="atom/b-cm" value="0.07416" />
-    <nuclide ao="2.0" name="H1" />
-    <nuclide ao="1.0" name="O16" />
-    <nuclide ao="0.000649" name="B10" />
-    <nuclide ao="0.002689" name="B11" />
-    <sab name="c_H_in_H2O" />
-  </material>
-  <material id="4" name="Hot borated water">
-    <density units="atom/b-cm" value="0.06614" />
-    <nuclide ao="2.0" name="H1" />
-    <nuclide ao="1.0" name="O16" />
-    <nuclide ao="0.000649" name="B10" />
-    <nuclide ao="0.002689" name="B11" />
-    <sab name="c_H_in_H2O" />
-  </material>
-  <material id="5" name="Reactor pressure vessel steel">
-    <density units="g/cm3" value="7.9" />
-    <nuclide name="Fe54" wo="0.05437098" />
-    <nuclide name="Fe56" wo="0.88500663" />
-    <nuclide name="Fe57" wo="0.0208008" />
-    <nuclide name="Fe58" wo="0.00282159" />
-    <nuclide name="Ni58" wo="0.0067198" />
-    <nuclide name="Ni60" wo="0.0026776" />
-    <nuclide name="Mn55" wo="0.01" />
-    <nuclide name="Cr52" wo="0.002092475" />
-    <nuclide name="C0" wo="0.0025" />
-    <nuclide name="Cu63" wo="0.0013696" />
-  </material>
-  <material id="6" name="Lower radial reflector">
-    <density units="g/cm3" value="4.32" />
-    <nuclide name="H1" wo="0.0095661" />
-    <nuclide name="O16" wo="0.0759107" />
-    <nuclide name="B10" wo="3.08409e-05" />
-    <nuclide name="B11" wo="0.000140499" />
-    <nuclide name="Fe54" wo="0.035620772088" />
-    <nuclide name="Fe56" wo="0.579805982228" />
-    <nuclide name="Fe57" wo="0.01362750048" />
-    <nuclide name="Fe58" wo="0.001848545204" />
-    <nuclide name="Ni58" wo="0.055298376566" />
-    <nuclide name="Mn55" wo="0.018287" />
-    <nuclide name="Cr52" wo="0.145407678031" />
-    <sab name="c_H_in_H2O" />
-  </material>
-  <material id="7" name="Upper radial reflector / Top plate region">
-    <density units="g/cm3" value="4.28" />
-    <nuclide name="H1" wo="0.0086117" />
-    <nuclide name="O16" wo="0.0683369" />
-    <nuclide name="B10" wo="2.77638e-05" />
-    <nuclide name="B11" wo="0.000126481" />
-    <nuclide name="Fe54" wo="0.035953677186" />
-    <nuclide name="Fe56" wo="0.585224740891" />
-    <nuclide name="Fe57" wo="0.01375486056" />
-    <nuclide name="Fe58" wo="0.001865821363" />
-    <nuclide name="Ni58" wo="0.055815129186" />
-    <nuclide name="Mn55" wo="0.0184579" />
-    <nuclide name="Cr52" wo="0.146766614995" />
-    <sab name="c_H_in_H2O" />
-  </material>
-  <material id="8" name="Bottom plate region">
-    <density units="g/cm3" value="7.184" />
-    <nuclide name="H1" wo="0.0011505" />
-    <nuclide name="O16" wo="0.0091296" />
-    <nuclide name="B10" wo="3.70915e-06" />
-    <nuclide name="B11" wo="1.68974e-05" />
-    <nuclide name="Fe54" wo="0.03855611055" />
-    <nuclide name="Fe56" wo="0.627585036425" />
-    <nuclide name="Fe57" wo="0.014750478" />
-    <nuclide name="Fe58" wo="0.002000875025" />
-    <nuclide name="Ni58" wo="0.059855207342" />
-    <nuclide name="Mn55" wo="0.019794" />
-    <nuclide name="Cr52" wo="0.157390026871" />
-    <sab name="c_H_in_H2O" />
-  </material>
-  <material id="9" name="Bottom nozzle region">
-    <density units="g/cm3" value="2.53" />
-    <nuclide name="H1" wo="0.0245014" />
-    <nuclide name="O16" wo="0.1944274" />
-    <nuclide name="B10" wo="7.89917e-05" />
-    <nuclide name="B11" wo="0.000359854" />
-    <nuclide name="Fe54" wo="0.030411411144" />
-    <nuclide name="Fe56" wo="0.495012237964" />
-    <nuclide name="Fe57" wo="0.01163454624" />
-    <nuclide name="Fe58" wo="0.001578204652" />
-    <nuclide name="Ni58" wo="0.047211231662" />
-    <nuclide name="Mn55" wo="0.0156126" />
-    <nuclide name="Cr52" wo="0.124142524198" />
-    <sab name="c_H_in_H2O" />
-  </material>
-  <material id="10" name="Top nozzle region">
-    <density units="g/cm3" value="1.746" />
-    <nuclide name="H1" wo="0.035887" />
-    <nuclide name="O16" wo="0.2847761" />
-    <nuclide name="B10" wo="0.000115699" />
-    <nuclide name="B11" wo="0.000527075" />
-    <nuclide name="Fe54" wo="0.02644016154" />
-    <nuclide name="Fe56" wo="0.43037146399" />
-    <nuclide name="Fe57" wo="0.0101152584" />
-    <nuclide name="Fe58" wo="0.00137211607" />
-    <nuclide name="Ni58" wo="0.04104621835" />
-    <nuclide name="Mn55" wo="0.0135739" />
-    <nuclide name="Cr52" wo="0.107931450781" />
-    <sab name="c_H_in_H2O" />
-  </material>
-  <material id="11" name="Top of fuel assemblies">
-    <density units="g/cm3" value="3.044" />
-    <nuclide name="H1" wo="0.0162913" />
-    <nuclide name="O16" wo="0.1292776" />
-    <nuclide name="B10" wo="5.25228e-05" />
-    <nuclide name="B11" wo="0.000239272" />
-    <nuclide name="Zr90" wo="0.43313403903" />
-    <nuclide name="Zr91" wo="0.09549277374" />
-    <nuclide name="Zr92" wo="0.14759527104" />
-    <nuclide name="Zr94" wo="0.15280552077" />
-    <nuclide name="Zr96" wo="0.02511169542" />
-    <sab name="c_H_in_H2O" />
-  </material>
-  <material id="12" name="Bottom of fuel assemblies">
-    <density units="g/cm3" value="1.762" />
-    <nuclide name="H1" wo="0.0292856" />
-    <nuclide name="O16" wo="0.2323919" />
-    <nuclide name="B10" wo="9.44159e-05" />
-    <nuclide name="B11" wo="0.00043012" />
-    <nuclide name="Zr90" wo="0.3741373658" />
-    <nuclide name="Zr91" wo="0.0824858164" />
-    <nuclide name="Zr92" wo="0.1274914944" />
-    <nuclide name="Zr94" wo="0.1319920622" />
-    <nuclide name="Zr96" wo="0.0216912612" />
-    <sab name="c_H_in_H2O" />
-  </material>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>eigenvalue</run_mode>
-  <particles>100</particles>
-  <batches>10</batches>
-  <inactive>5</inactive>
-  <source strength="1.0">
-    <space type="fission">
-      <parameters>-32 -32 0 32 32 32</parameters>
-    </space>
-  </source>
-</settings>
-<?xml version='1.0' encoding='utf-8'?>
-<tallies>
-  <filter id="1" type="distribcell">
-    <bins>27</bins>
-  </filter>
-  <tally id="27" name="distribcell tally">
-    <filters>1</filters>
-    <scores>nu-fission</scores>
-  </tally>
-</tallies>
+    </lattice>
+    <surface coeffs="0.0 0.0 0.41" id="1" type="z-cylinder" />
+    <surface coeffs="0.0 0.0 0.475" id="2" type="z-cylinder" />
+    <surface coeffs="0.0 0.0 0.56" id="3" type="z-cylinder" />
+    <surface coeffs="0.0 0.0 0.62" id="4" type="z-cylinder" />
+    <surface boundary="reflective" coeffs="-32.13" id="9" type="x-plane" />
+    <surface boundary="reflective" coeffs="32.13" id="10" type="x-plane" />
+    <surface boundary="reflective" coeffs="-32.13" id="11" type="y-plane" />
+    <surface boundary="reflective" coeffs="32.13" id="12" type="y-plane" />
+    <surface boundary="reflective" coeffs="0" id="13" type="z-plane" />
+    <surface boundary="reflective" coeffs="32.13" id="14" type="z-plane" />
+    <surface coeffs="0.0" id="35" type="z-plane" />
+    <surface coeffs="183.0" id="36" type="z-plane" />
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>10</batches>
+    <inactive>5</inactive>
+    <source strength="1.0">
+      <space type="fission">
+        <parameters>-32 -32 0 32 32 32</parameters>
+      </space>
+    </source>
+  </settings>
+  <tallies>
+    <filter id="1" type="distribcell">
+      <bins>27</bins>
+    </filter>
+    <tally id="27" name="distribcell tally">
+      <filters>1</filters>
+      <scores>nu-fission</scores>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/cpp_driver/inputs_true.dat b/tests/regression_tests/cpp_driver/inputs_true.dat
index faa3fa9b1..cdace34f0 100644
--- a/tests/regression_tests/cpp_driver/inputs_true.dat
+++ b/tests/regression_tests/cpp_driver/inputs_true.dat
@@ -1,45 +1,45 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell id="1" material="1" region="-1" universe="1" />
-  <cell id="2" material="2" region="1 -2" universe="1" />
-  <cell id="3" material="3" region="2" universe="1" />
-  <cell fill="1" id="4" universe="2" />
-  <cell fill="3" id="5" region="3 -4 5 -6" universe="4" />
-  <lattice id="3">
-    <pitch>4.0 4.0</pitch>
-    <dimension>2 2</dimension>
-    <lower_left>-4.0 -4.0</lower_left>
-    <universes>
+<model>
+  <materials>
+    <material depletable="true" id="1" name="fuel">
+      <density units="g/cc" value="11" />
+      <nuclide ao="1.0" name="U235" />
+    </material>
+    <material id="2" name="cladding">
+      <density units="g/cc" value="6.44" />
+      <nuclide ao="1.0" name="Zr90" />
+    </material>
+    <material id="3" name="water">
+      <density units="g/cc" value="1.0" />
+      <nuclide ao="2.0" name="H1" />
+      <nuclide ao="1.0" name="O16" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="-1" universe="1" />
+    <cell id="2" material="2" region="1 -2" universe="1" />
+    <cell id="3" material="3" region="2" universe="1" />
+    <cell fill="1" id="4" universe="2" />
+    <cell fill="3" id="5" region="3 -4 5 -6" universe="4" />
+    <lattice id="3">
+      <pitch>4.0 4.0</pitch>
+      <dimension>2 2</dimension>
+      <lower_left>-4.0 -4.0</lower_left>
+      <universes>
 2 2 
 2 2 </universes>
-  </lattice>
-  <surface coeffs="0.0 0.0 1.5" id="1" type="z-cylinder" />
-  <surface coeffs="0.0 0.0 1.7" id="2" type="z-cylinder" />
-  <surface boundary="reflective" coeffs="-4.0" id="3" name="minimum x" type="x-plane" />
-  <surface boundary="reflective" coeffs="4.0" id="4" name="maximum x" type="x-plane" />
-  <surface boundary="reflective" coeffs="-4.0" id="5" name="minimum y" type="y-plane" />
-  <surface boundary="reflective" coeffs="4.0" id="6" name="maximum y" type="y-plane" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-  <material depletable="true" id="1" name="fuel">
-    <density units="g/cc" value="11" />
-    <nuclide ao="1.0" name="U235" />
-  </material>
-  <material id="2" name="cladding">
-    <density units="g/cc" value="6.44" />
-    <nuclide ao="1.0" name="Zr90" />
-  </material>
-  <material id="3" name="water">
-    <density units="g/cc" value="1.0" />
-    <nuclide ao="2.0" name="H1" />
-    <nuclide ao="1.0" name="O16" />
-  </material>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>eigenvalue</run_mode>
-  <particles>100</particles>
-  <batches>10</batches>
-  <inactive>1</inactive>
-</settings>
+    </lattice>
+    <surface coeffs="0.0 0.0 1.5" id="1" type="z-cylinder" />
+    <surface coeffs="0.0 0.0 1.7" id="2" type="z-cylinder" />
+    <surface boundary="reflective" coeffs="-4.0" id="3" name="minimum x" type="x-plane" />
+    <surface boundary="reflective" coeffs="4.0" id="4" name="maximum x" type="x-plane" />
+    <surface boundary="reflective" coeffs="-4.0" id="5" name="minimum y" type="y-plane" />
+    <surface boundary="reflective" coeffs="4.0" id="6" name="maximum y" type="y-plane" />
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>10</batches>
+    <inactive>1</inactive>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/create_fission_neutrons/inputs_true.dat b/tests/regression_tests/create_fission_neutrons/inputs_true.dat
index b0ca89647..f79ba379c 100644
--- a/tests/regression_tests/create_fission_neutrons/inputs_true.dat
+++ b/tests/regression_tests/create_fission_neutrons/inputs_true.dat
@@ -1,37 +1,36 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell id="1" material="1" name="box" region="1 -2 3 -4 5 -6" universe="0" />
-  <surface boundary="reflective" coeffs="-1" id="1" type="x-plane" />
-  <surface boundary="reflective" coeffs="1" id="2" type="x-plane" />
-  <surface boundary="reflective" coeffs="-1" id="3" type="y-plane" />
-  <surface boundary="reflective" coeffs="1" id="4" type="y-plane" />
-  <surface boundary="reflective" coeffs="-1" id="5" type="z-plane" />
-  <surface boundary="reflective" coeffs="1" id="6" type="z-plane" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-  <material depletable="true" id="1" name="mat">
-    <density units="atom/b-cm" value="0.069335" />
-    <nuclide ao="40.0" name="H1" />
-    <nuclide ao="1.0" name="U235" />
-  </material>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>fixed source</run_mode>
-  <particles>100</particles>
-  <batches>10</batches>
-  <source strength="1.0">
-    <space type="box">
-      <parameters>-1 -1 -1 1 1 1</parameters>
-    </space>
-    <energy parameters="988000.0 2.249e-06" type="watt" />
-  </source>
-  <create_fission_neutrons>false</create_fission_neutrons>
-</settings>
-<?xml version='1.0' encoding='utf-8'?>
-<tallies>
-  <tally id="1">
-    <scores>flux</scores>
-  </tally>
-</tallies>
+<model>
+  <materials>
+    <material depletable="true" id="1" name="mat">
+      <density units="atom/b-cm" value="0.069335" />
+      <nuclide ao="40.0" name="H1" />
+      <nuclide ao="1.0" name="U235" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" name="box" region="1 -2 3 -4 5 -6" universe="0" />
+    <surface boundary="reflective" coeffs="-1" id="1" type="x-plane" />
+    <surface boundary="reflective" coeffs="1" id="2" type="x-plane" />
+    <surface boundary="reflective" coeffs="-1" id="3" type="y-plane" />
+    <surface boundary="reflective" coeffs="1" id="4" type="y-plane" />
+    <surface boundary="reflective" coeffs="-1" id="5" type="z-plane" />
+    <surface boundary="reflective" coeffs="1" id="6" type="z-plane" />
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>100</particles>
+    <batches>10</batches>
+    <source strength="1.0">
+      <space type="box">
+        <parameters>-1 -1 -1 1 1 1</parameters>
+      </space>
+      <energy parameters="988000.0 2.249e-06" type="watt" />
+    </source>
+    <create_fission_neutrons>false</create_fission_neutrons>
+  </settings>
+  <tallies>
+    <tally id="1">
+      <scores>flux</scores>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/create_fission_neutrons/test.py b/tests/regression_tests/create_fission_neutrons/test.py
index f1c1d072c..82bfaafa6 100755
--- a/tests/regression_tests/create_fission_neutrons/test.py
+++ b/tests/regression_tests/create_fission_neutrons/test.py
@@ -4,14 +4,14 @@ from tests.testing_harness import PyAPITestHarness
 
 
 class CreateFissionNeutronsTestHarness(PyAPITestHarness):
-    def _build_inputs(self):
+    def __init__(self, *args, **kwargs):
+        super().__init__(*args, **kwargs)
         # Material is composed of H-1 and U-235
         mat = openmc.Material(material_id=1, name='mat')
         mat.set_density('atom/b-cm', 0.069335)
         mat.add_nuclide('H1', 40.0)
         mat.add_nuclide('U235', 1.0)
-        materials_file = openmc.Materials([mat])
-        materials_file.export_to_xml()
+        self._model.materials = openmc.Materials([mat])
 
         # Cell is box with reflective boundary
         x1 = openmc.XPlane(surface_id=1, x0=-1)
@@ -27,8 +27,7 @@ class CreateFissionNeutronsTestHarness(PyAPITestHarness):
         box.fill = mat
         root = openmc.Universe(universe_id=0, name='root universe')
         root.add_cell(box)
-        geometry = openmc.Geometry(root)
-        geometry.export_to_xml()
+        self._model.geometry = openmc.Geometry(root)
 
         # Set the running parameters
         settings_file = openmc.Settings()
@@ -41,14 +40,14 @@ class CreateFissionNeutronsTestHarness(PyAPITestHarness):
         watt_dist = openmc.stats.Watt()
         settings_file.source = openmc.source.Source(space=uniform_dist,
                                                     energy=watt_dist)
-        settings_file.export_to_xml()
+        self._model.settings = settings_file
 
         # Create tallies
         tallies = openmc.Tallies()
         tally = openmc.Tally(1)
         tally.scores = ['flux']
         tallies.append(tally)
-        tallies.export_to_xml()
+        self._model.tallies = tallies
 
     def _get_results(self):
         """Digest info in the statepoint and return as a string."""
@@ -66,5 +65,6 @@ class CreateFissionNeutronsTestHarness(PyAPITestHarness):
 
 
 def test_create_fission_neutrons():
-    harness = CreateFissionNeutronsTestHarness('statepoint.10.h5')
+    harness = CreateFissionNeutronsTestHarness('statepoint.10.h5',
+                                               model=openmc.Model())
     harness.main()
diff --git a/tests/regression_tests/dagmc/external/inputs_true.dat b/tests/regression_tests/dagmc/external/inputs_true.dat
index dd75bbdbd..5547f333c 100644
--- a/tests/regression_tests/dagmc/external/inputs_true.dat
+++ b/tests/regression_tests/dagmc/external/inputs_true.dat
@@ -1,40 +1,39 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <dagmc_universe filename="dagmc.h5m" id="1" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-  <material depletable="true" id="40" name="no-void fuel">
-    <density units="g/cc" value="11" />
-    <nuclide ao="1.0" name="U235" />
-  </material>
-  <material id="41" name="water">
-    <density units="g/cc" value="1.0" />
-    <nuclide ao="2.0" name="H1" />
-    <nuclide ao="1.0" name="O16" />
-    <sab name="c_H_in_H2O" />
-  </material>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>eigenvalue</run_mode>
-  <particles>100</particles>
-  <batches>5</batches>
-  <inactive>0</inactive>
-  <source strength="1.0">
-    <space type="box">
-      <parameters>-4 -4 -4 4 4 4</parameters>
-    </space>
-  </source>
-  <temperature_default>293</temperature_default>
-</settings>
-<?xml version='1.0' encoding='utf-8'?>
-<tallies>
-  <filter id="1" type="cell">
-    <bins>1</bins>
-  </filter>
-  <tally id="1">
-    <filters>1</filters>
-    <scores>total</scores>
-  </tally>
-</tallies>
+<model>
+  <materials>
+    <material depletable="true" id="40" name="no-void fuel">
+      <density units="g/cc" value="11" />
+      <nuclide ao="1.0" name="U235" />
+    </material>
+    <material id="41" name="water">
+      <density units="g/cc" value="1.0" />
+      <nuclide ao="2.0" name="H1" />
+      <nuclide ao="1.0" name="O16" />
+      <sab name="c_H_in_H2O" />
+    </material>
+  </materials>
+  <geometry>
+    <dagmc_universe filename="dagmc.h5m" id="1" />
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>5</batches>
+    <inactive>0</inactive>
+    <source strength="1.0">
+      <space type="box">
+        <parameters>-4 -4 -4 4 4 4</parameters>
+      </space>
+    </source>
+    <temperature_default>293</temperature_default>
+  </settings>
+  <tallies>
+    <filter id="1" type="cell">
+      <bins>1</bins>
+    </filter>
+    <tally id="1">
+      <filters>1</filters>
+      <scores>total</scores>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/dagmc/legacy/inputs_true.dat b/tests/regression_tests/dagmc/legacy/inputs_true.dat
index 2f5641046..89d458a2b 100644
--- a/tests/regression_tests/dagmc/legacy/inputs_true.dat
+++ b/tests/regression_tests/dagmc/legacy/inputs_true.dat
@@ -1,39 +1,38 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <dagmc_universe filename="dagmc.h5m" id="1" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-  <material depletable="true" id="40" name="no-void fuel">
-    <density units="g/cc" value="11" />
-    <nuclide ao="1.0" name="U235" />
-  </material>
-  <material id="41" name="water">
-    <density units="g/cc" value="1.0" />
-    <nuclide ao="2.0" name="H1" />
-    <nuclide ao="1.0" name="O16" />
-    <sab name="c_H_in_H2O" />
-  </material>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>eigenvalue</run_mode>
-  <particles>100</particles>
-  <batches>5</batches>
-  <inactive>0</inactive>
-  <source strength="1.0">
-    <space type="box">
-      <parameters>-4 -4 -4 4 4 4</parameters>
-    </space>
-  </source>
-</settings>
-<?xml version='1.0' encoding='utf-8'?>
-<tallies>
-  <filter id="1" type="cell">
-    <bins>1</bins>
-  </filter>
-  <tally id="1">
-    <filters>1</filters>
-    <scores>total</scores>
-  </tally>
-</tallies>
+<model>
+  <materials>
+    <material depletable="true" id="40" name="no-void fuel">
+      <density units="g/cc" value="11" />
+      <nuclide ao="1.0" name="U235" />
+    </material>
+    <material id="41" name="water">
+      <density units="g/cc" value="1.0" />
+      <nuclide ao="2.0" name="H1" />
+      <nuclide ao="1.0" name="O16" />
+      <sab name="c_H_in_H2O" />
+    </material>
+  </materials>
+  <geometry>
+    <dagmc_universe filename="dagmc.h5m" id="1" />
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>5</batches>
+    <inactive>0</inactive>
+    <source strength="1.0">
+      <space type="box">
+        <parameters>-4 -4 -4 4 4 4</parameters>
+      </space>
+    </source>
+  </settings>
+  <tallies>
+    <filter id="1" type="cell">
+      <bins>1</bins>
+    </filter>
+    <tally id="1">
+      <filters>1</filters>
+      <scores>total</scores>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/dagmc/refl/inputs_true.dat b/tests/regression_tests/dagmc/refl/inputs_true.dat
index 938916ece..894d50104 100644
--- a/tests/regression_tests/dagmc/refl/inputs_true.dat
+++ b/tests/regression_tests/dagmc/refl/inputs_true.dat
@@ -1,29 +1,28 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <dagmc_universe auto_geom_ids="true" filename="dagmc.h5m" id="9" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>eigenvalue</run_mode>
-  <particles>100</particles>
-  <batches>5</batches>
-  <inactive>0</inactive>
-  <source strength="1.0">
-    <space type="box">
-      <parameters>-4 -4 -4 4 4 4</parameters>
-    </space>
-  </source>
-</settings>
-<?xml version='1.0' encoding='utf-8'?>
-<tallies>
-  <filter id="1" type="cell">
-    <bins>2</bins>
-  </filter>
-  <tally id="1">
-    <filters>1</filters>
-    <scores>total</scores>
-  </tally>
-</tallies>
+<model>
+  <materials>
+  </materials>
+  <geometry>
+    <dagmc_universe auto_geom_ids="true" filename="dagmc.h5m" id="1" />
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>5</batches>
+    <inactive>0</inactive>
+    <source strength="1.0">
+      <space type="box">
+        <parameters>-4 -4 -4 4 4 4</parameters>
+      </space>
+    </source>
+  </settings>
+  <tallies>
+    <filter id="1" type="cell">
+      <bins>2</bins>
+    </filter>
+    <tally id="1">
+      <filters>1</filters>
+      <scores>total</scores>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/dagmc/refl/test.py b/tests/regression_tests/dagmc/refl/test.py
index 5afc1a7a2..5b08f0c4a 100644
--- a/tests/regression_tests/dagmc/refl/test.py
+++ b/tests/regression_tests/dagmc/refl/test.py
@@ -10,34 +10,29 @@ pytestmark = pytest.mark.skipif(
     reason="DAGMC CAD geometry is not enabled.")
 
 class UWUWTest(PyAPITestHarness):
-
-    def _build_inputs(self):
-        model = openmc.model.Model()
+    def __init__(self, *args, **kwargs):
+        super().__init__(*args, **kwargs)
 
         # settings
-        model.settings.batches = 5
-        model.settings.inactive = 0
-        model.settings.particles = 100
+        self._model.settings.batches = 5
+        self._model.settings.inactive = 0
+        self._model.settings.particles = 100
 
         source = openmc.Source(space=Box([-4, -4, -4],
                                          [ 4,  4,  4]))
-        model.settings.source = source
-
-        model.settings.export_to_xml()
+        self._model.settings.source = source
 
         # geometry
         dag_univ = openmc.DAGMCUniverse("dagmc.h5m", auto_geom_ids=True)
-        model.geometry = openmc.Geometry(dag_univ)
+        self._model.geometry = openmc.Geometry(dag_univ)
 
         # tally
         tally = openmc.Tally()
         tally.scores = ['total']
         tally.filters = [openmc.CellFilter(2)]
-        model.tallies = [tally]
+        self._model.tallies = [tally]
 
-        model.tallies.export_to_xml()
-        model.export_to_xml()
 
 def test_refl():
-    harness = UWUWTest('statepoint.5.h5')
+    harness = UWUWTest('statepoint.5.h5', model=openmc.Model())
     harness.main()
diff --git a/tests/regression_tests/dagmc/universes/inputs_true.dat b/tests/regression_tests/dagmc/universes/inputs_true.dat
index ea6ad519b..b88e83df4 100644
--- a/tests/regression_tests/dagmc/universes/inputs_true.dat
+++ b/tests/regression_tests/dagmc/universes/inputs_true.dat
@@ -1,55 +1,55 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell fill="12" id="13" region="9 -10 11 -12 13 -14" universe="13" />
-  <dagmc_universe auto_geom_ids="true" filename="dagmc.h5m" id="9" />
-  <lattice id="12">
-    <pitch>24.0 24.0</pitch>
-    <dimension>2 2</dimension>
-    <lower_left>-24.0 -24.0</lower_left>
-    <universes>
-9 9 
-9 9 </universes>
-  </lattice>
-  <surface boundary="reflective" coeffs="-24.0" id="9" name="left" type="x-plane" />
-  <surface boundary="reflective" coeffs="24.0" id="10" name="right" type="x-plane" />
-  <surface boundary="reflective" coeffs="-24.0" id="11" name="front" type="y-plane" />
-  <surface boundary="reflective" coeffs="24.0" id="12" name="back" type="y-plane" />
-  <surface boundary="reflective" coeffs="-10.0" id="13" name="bottom" type="z-plane" />
-  <surface boundary="reflective" coeffs="10.0" id="14" name="top" type="z-plane" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-  <material depletable="true" id="13" name="no-void fuel">
-    <density units="g/cc" value="10.29769" />
-    <nuclide ao="0.93120485" name="U234" />
-    <nuclide ao="0.00055815" name="U235" />
-    <nuclide ao="0.022408" name="U238" />
-    <nuclide ao="0.045829" name="O16" />
-  </material>
-  <material id="14" name="clad">
-    <density units="g/cc" value="6.55" />
-    <nuclide ao="0.021827" name="Zr90" />
-    <nuclide ao="0.00476" name="Zr91" />
-    <nuclide ao="0.0072758" name="Zr92" />
-    <nuclide ao="0.0073734" name="Zr94" />
-    <nuclide ao="0.0011879" name="Zr96" />
-  </material>
-  <material id="15" name="water">
-    <density units="g/cc" value="0.740582" />
-    <nuclide ao="0.049457" name="H1" />
-    <nuclide ao="0.024672" name="O16" />
-    <nuclide ao="8.0042e-06" name="B10" />
-    <nuclide ao="3.2218e-05" name="B11" />
-    <sab name="c_H_in_H2O" />
-  </material>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>eigenvalue</run_mode>
-  <particles>100</particles>
-  <batches>10</batches>
-  <inactive>2</inactive>
-  <output>
-    <summary>false</summary>
-  </output>
-</settings>
+<model>
+  <materials>
+    <material depletable="true" id="1" name="no-void fuel">
+      <density units="g/cc" value="10.29769" />
+      <nuclide ao="0.93120485" name="U234" />
+      <nuclide ao="0.00055815" name="U235" />
+      <nuclide ao="0.022408" name="U238" />
+      <nuclide ao="0.045829" name="O16" />
+    </material>
+    <material id="2" name="clad">
+      <density units="g/cc" value="6.55" />
+      <nuclide ao="0.021827" name="Zr90" />
+      <nuclide ao="0.00476" name="Zr91" />
+      <nuclide ao="0.0072758" name="Zr92" />
+      <nuclide ao="0.0073734" name="Zr94" />
+      <nuclide ao="0.0011879" name="Zr96" />
+    </material>
+    <material id="3" name="water">
+      <density units="g/cc" value="0.740582" />
+      <nuclide ao="0.049457" name="H1" />
+      <nuclide ao="0.024672" name="O16" />
+      <nuclide ao="8.0042e-06" name="B10" />
+      <nuclide ao="3.2218e-05" name="B11" />
+      <sab name="c_H_in_H2O" />
+    </material>
+  </materials>
+  <geometry>
+    <cell fill="4" id="1" region="1 -2 3 -4 5 -6" universe="5" />
+    <dagmc_universe auto_geom_ids="true" filename="dagmc.h5m" id="1" />
+    <lattice id="4">
+      <pitch>24.0 24.0</pitch>
+      <dimension>2 2</dimension>
+      <lower_left>-24.0 -24.0</lower_left>
+      <universes>
+1 1 
+1 1 </universes>
+    </lattice>
+    <surface boundary="reflective" coeffs="-24.0" id="1" name="left" type="x-plane" />
+    <surface boundary="reflective" coeffs="24.0" id="2" name="right" type="x-plane" />
+    <surface boundary="reflective" coeffs="-24.0" id="3" name="front" type="y-plane" />
+    <surface boundary="reflective" coeffs="24.0" id="4" name="back" type="y-plane" />
+    <surface boundary="reflective" coeffs="-10.0" id="5" name="bottom" type="z-plane" />
+    <surface boundary="reflective" coeffs="10.0" id="6" name="top" type="z-plane" />
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>10</batches>
+    <inactive>2</inactive>
+    <output>
+      <summary>false</summary>
+    </output>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/dagmc/universes/test.py b/tests/regression_tests/dagmc/universes/test.py
index 47897ad56..a318275cd 100644
--- a/tests/regression_tests/dagmc/universes/test.py
+++ b/tests/regression_tests/dagmc/universes/test.py
@@ -12,9 +12,8 @@ pytestmark = pytest.mark.skipif(
 
 
 class DAGMCUniverseTest(PyAPITestHarness):
-
-    def _build_inputs(self):
-        model = openmc.model.Model()
+    def __init__(self, *args, **kwargs):
+        super().__init__(*args, **kwargs)
 
         ### MATERIALS ###
         fuel = openmc.Material(name='no-void fuel')
@@ -40,7 +39,7 @@ class DAGMCUniverseTest(PyAPITestHarness):
         water.add_nuclide('B11', 3.2218e-05)
         water.add_s_alpha_beta('c_H_in_H2O')
 
-        model.materials = openmc.Materials([fuel, cladding, water])
+        self._model.materials = openmc.Materials([fuel, cladding, water])
 
         ### GEOMETRY ###
         # create the DAGMC universe
@@ -51,7 +50,7 @@ class DAGMCUniverseTest(PyAPITestHarness):
         # uses the bound_dag_cell as the root argument to test the type checks in openmc.Geometry
         bound_pincell_geometry = openmc.Geometry(root=bound_pincell_universe)
         # assigns the bound_dag_geometry to the model to test the type checks in model.Geometry setter
-        model.Geometry = bound_pincell_geometry
+        self._model.geometry = bound_pincell_geometry
 
         # create a 2 x 2 lattice using the DAGMC pincell
         pitch = np.asarray((24.0, 24.0))
@@ -71,17 +70,15 @@ class DAGMCUniverseTest(PyAPITestHarness):
         bounding_region = +left & -right & +front & -back & +bottom & -top
         bounding_cell = openmc.Cell(fill=lattice, region=bounding_region)
 
-        model.geometry = openmc.Geometry([bounding_cell])
+        self._model.geometry = openmc.Geometry([bounding_cell])
 
         # settings
-        model.settings.particles = 100
-        model.settings.batches = 10
-        model.settings.inactive = 2
-        model.settings.output = {'summary' : False}
-
-        model.export_to_xml()
+        self._model.settings.particles = 100
+        self._model.settings.batches = 10
+        self._model.settings.inactive = 2
+        self._model.settings.output = {'summary' : False}
 
 
 def test_univ():
-    harness = DAGMCUniverseTest('statepoint.10.h5')
+    harness = DAGMCUniverseTest('statepoint.10.h5', model=openmc.Model())
     harness.main()
diff --git a/tests/regression_tests/dagmc/uwuw/inputs_true.dat b/tests/regression_tests/dagmc/uwuw/inputs_true.dat
index 7d533c5db..07384b625 100644
--- a/tests/regression_tests/dagmc/uwuw/inputs_true.dat
+++ b/tests/regression_tests/dagmc/uwuw/inputs_true.dat
@@ -1,29 +1,28 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <dagmc_universe filename="dagmc.h5m" id="9" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>eigenvalue</run_mode>
-  <particles>100</particles>
-  <batches>5</batches>
-  <inactive>0</inactive>
-  <source strength="1.0">
-    <space type="box">
-      <parameters>-4 -4 -4 4 4 4</parameters>
-    </space>
-  </source>
-</settings>
-<?xml version='1.0' encoding='utf-8'?>
-<tallies>
-  <filter id="1" type="cell">
-    <bins>1</bins>
-  </filter>
-  <tally id="1">
-    <filters>1</filters>
-    <scores>total</scores>
-  </tally>
-</tallies>
+<model>
+  <materials>
+  </materials>
+  <geometry>
+    <dagmc_universe filename="dagmc.h5m" id="1" />
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>5</batches>
+    <inactive>0</inactive>
+    <source strength="1.0">
+      <space type="box">
+        <parameters>-4 -4 -4 4 4 4</parameters>
+      </space>
+    </source>
+  </settings>
+  <tallies>
+    <filter id="1" type="cell">
+      <bins>1</bins>
+    </filter>
+    <tally id="1">
+      <filters>1</filters>
+      <scores>total</scores>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/dagmc/uwuw/test.py b/tests/regression_tests/dagmc/uwuw/test.py
index a8da2da60..19986e589 100644
--- a/tests/regression_tests/dagmc/uwuw/test.py
+++ b/tests/regression_tests/dagmc/uwuw/test.py
@@ -10,33 +10,29 @@ pytestmark = pytest.mark.skipif(
     reason="DAGMC CAD geometry is not enabled.")
 
 class UWUWTest(PyAPITestHarness):
-
-    def _build_inputs(self):
-        model = openmc.model.Model()
+    def __init__(self, *args, **kwargs):
+        super().__init__(*args, **kwargs)
 
         # settings
-        model.settings.batches = 5
-        model.settings.inactive = 0
-        model.settings.particles = 100
+        self._model.settings.batches = 5
+        self._model.settings.inactive = 0
+        self._model.settings.particles = 100
 
         source = openmc.Source(space=Box([-4, -4, -4],
                                          [ 4,  4,  4]))
-        model.settings.source = source
-
-        model.settings.export_to_xml()
+        self._model.settings.source = source
 
         # geometry
         dag_univ = openmc.DAGMCUniverse("dagmc.h5m")
-        model.geometry = openmc.Geometry(root=dag_univ)
+        self._model.geometry = openmc.Geometry(root=dag_univ)
 
         # tally
         tally = openmc.Tally()
         tally.scores = ['total']
         tally.filters = [openmc.CellFilter(1)]
-        model.tallies = [tally]
+        self._model.tallies = [tally]
 
-        model.export_to_xml()
 
 def test_uwuw():
-    harness = UWUWTest('statepoint.5.h5')
+    harness = UWUWTest('statepoint.5.h5', model=openmc.Model())
     harness.main()
diff --git a/tests/regression_tests/diff_tally/inputs_true.dat b/tests/regression_tests/diff_tally/inputs_true.dat
index 909475f96..99697a1e9 100644
--- a/tests/regression_tests/diff_tally/inputs_true.dat
+++ b/tests/regression_tests/diff_tally/inputs_true.dat
@@ -1,38 +1,187 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell fill="200" id="1" region="-6 34 -35" universe="0" />
-  <cell fill="201" id="2" region="-6 35 -36" universe="0" />
-  <cell id="3" material="8" region="-7 31 -32" universe="0" />
-  <cell id="4" material="9" region="-5 32 -33" universe="0" />
-  <cell id="5" material="12" region="-5 33 -34" universe="0" />
-  <cell id="6" material="11" region="-5 36 -37" universe="0" />
-  <cell id="7" material="10" region="-5 37 -38" universe="0" />
-  <cell id="8" material="7" region="-7 38 -39" universe="0" />
-  <cell id="9" material="9" region="6 -7 32 -38" universe="0" />
-  <cell id="10" material="5" region="7 -8 31 -39" universe="0" />
-  <cell id="11" material="6" region="5 -6 32 -34" universe="0" />
-  <cell id="12" material="7" region="5 -6 36 -38" universe="0" />
-  <cell id="21" material="1" region="-1" universe="1" />
-  <cell id="22" material="2" region="1 -2" universe="1" />
-  <cell id="23" material="3" region="2" universe="1" />
-  <cell id="24" material="3" region="-3" universe="2" />
-  <cell id="25" material="2" region="3 -4" universe="2" />
-  <cell id="26" material="3" region="4" universe="2" />
-  <cell id="27" material="1" region="-1" universe="3" />
-  <cell id="28" material="2" region="1 -2" universe="3" />
-  <cell id="29" material="4" region="2" universe="3" />
-  <cell id="30" material="4" region="-3" universe="4" />
-  <cell id="31" material="2" region="3 -4" universe="4" />
-  <cell id="32" material="4" region="4" universe="4" />
-  <cell id="50" material="3" region="34 -35" universe="5" />
-  <cell fill="100" id="60" region="34 -35" universe="6" />
-  <cell id="70" material="4" region="35 -36" universe="7" />
-  <cell fill="101" id="80" region="35 -36" universe="8" />
-  <lattice id="100" name="Fuel assembly (lower half)">
-    <pitch>1.26 1.26</pitch>
-    <dimension>17 17</dimension>
-    <lower_left>-10.71 -10.71</lower_left>
-    <universes>
+<model>
+  <materials>
+    <material depletable="true" id="1" name="UOX fuel">
+      <density units="g/cm3" value="10.062" />
+      <nuclide ao="4.9476e-06" name="U234" />
+      <nuclide ao="0.00048218" name="U235" />
+      <nuclide ao="0.021504" name="U238" />
+      <nuclide ao="1.0801e-08" name="Xe135" />
+      <nuclide ao="0.045737" name="O16" />
+    </material>
+    <material id="2" name="Zircaloy">
+      <density units="g/cm3" value="5.77" />
+      <nuclide ao="0.5145" name="Zr90" />
+      <nuclide ao="0.1122" name="Zr91" />
+      <nuclide ao="0.1715" name="Zr92" />
+      <nuclide ao="0.1738" name="Zr94" />
+      <nuclide ao="0.028" name="Zr96" />
+    </material>
+    <material id="3" name="Cold borated water">
+      <density units="atom/b-cm" value="0.07416" />
+      <nuclide ao="2.0" name="H1" />
+      <nuclide ao="1.0" name="O16" />
+      <nuclide ao="0.000649" name="B10" />
+      <nuclide ao="0.002689" name="B11" />
+      <sab name="c_H_in_H2O" />
+    </material>
+    <material id="4" name="Hot borated water">
+      <density units="atom/b-cm" value="0.06614" />
+      <nuclide ao="2.0" name="H1" />
+      <nuclide ao="1.0" name="O16" />
+      <nuclide ao="0.000649" name="B10" />
+      <nuclide ao="0.002689" name="B11" />
+      <sab name="c_H_in_H2O" />
+    </material>
+    <material id="5" name="Reactor pressure vessel steel">
+      <density units="g/cm3" value="7.9" />
+      <nuclide name="Fe54" wo="0.05437098" />
+      <nuclide name="Fe56" wo="0.88500663" />
+      <nuclide name="Fe57" wo="0.0208008" />
+      <nuclide name="Fe58" wo="0.00282159" />
+      <nuclide name="Ni58" wo="0.0067198" />
+      <nuclide name="Ni60" wo="0.0026776" />
+      <nuclide name="Mn55" wo="0.01" />
+      <nuclide name="Cr52" wo="0.002092475" />
+      <nuclide name="C0" wo="0.0025" />
+      <nuclide name="Cu63" wo="0.0013696" />
+    </material>
+    <material id="6" name="Lower radial reflector">
+      <density units="g/cm3" value="4.32" />
+      <nuclide name="H1" wo="0.0095661" />
+      <nuclide name="O16" wo="0.0759107" />
+      <nuclide name="B10" wo="3.08409e-05" />
+      <nuclide name="B11" wo="0.000140499" />
+      <nuclide name="Fe54" wo="0.035620772088" />
+      <nuclide name="Fe56" wo="0.579805982228" />
+      <nuclide name="Fe57" wo="0.01362750048" />
+      <nuclide name="Fe58" wo="0.001848545204" />
+      <nuclide name="Ni58" wo="0.055298376566" />
+      <nuclide name="Mn55" wo="0.018287" />
+      <nuclide name="Cr52" wo="0.145407678031" />
+      <sab name="c_H_in_H2O" />
+    </material>
+    <material id="7" name="Upper radial reflector / Top plate region">
+      <density units="g/cm3" value="4.28" />
+      <nuclide name="H1" wo="0.0086117" />
+      <nuclide name="O16" wo="0.0683369" />
+      <nuclide name="B10" wo="2.77638e-05" />
+      <nuclide name="B11" wo="0.000126481" />
+      <nuclide name="Fe54" wo="0.035953677186" />
+      <nuclide name="Fe56" wo="0.585224740891" />
+      <nuclide name="Fe57" wo="0.01375486056" />
+      <nuclide name="Fe58" wo="0.001865821363" />
+      <nuclide name="Ni58" wo="0.055815129186" />
+      <nuclide name="Mn55" wo="0.0184579" />
+      <nuclide name="Cr52" wo="0.146766614995" />
+      <sab name="c_H_in_H2O" />
+    </material>
+    <material id="8" name="Bottom plate region">
+      <density units="g/cm3" value="7.184" />
+      <nuclide name="H1" wo="0.0011505" />
+      <nuclide name="O16" wo="0.0091296" />
+      <nuclide name="B10" wo="3.70915e-06" />
+      <nuclide name="B11" wo="1.68974e-05" />
+      <nuclide name="Fe54" wo="0.03855611055" />
+      <nuclide name="Fe56" wo="0.627585036425" />
+      <nuclide name="Fe57" wo="0.014750478" />
+      <nuclide name="Fe58" wo="0.002000875025" />
+      <nuclide name="Ni58" wo="0.059855207342" />
+      <nuclide name="Mn55" wo="0.019794" />
+      <nuclide name="Cr52" wo="0.157390026871" />
+      <sab name="c_H_in_H2O" />
+    </material>
+    <material id="9" name="Bottom nozzle region">
+      <density units="g/cm3" value="2.53" />
+      <nuclide name="H1" wo="0.0245014" />
+      <nuclide name="O16" wo="0.1944274" />
+      <nuclide name="B10" wo="7.89917e-05" />
+      <nuclide name="B11" wo="0.000359854" />
+      <nuclide name="Fe54" wo="0.030411411144" />
+      <nuclide name="Fe56" wo="0.495012237964" />
+      <nuclide name="Fe57" wo="0.01163454624" />
+      <nuclide name="Fe58" wo="0.001578204652" />
+      <nuclide name="Ni58" wo="0.047211231662" />
+      <nuclide name="Mn55" wo="0.0156126" />
+      <nuclide name="Cr52" wo="0.124142524198" />
+      <sab name="c_H_in_H2O" />
+    </material>
+    <material id="10" name="Top nozzle region">
+      <density units="g/cm3" value="1.746" />
+      <nuclide name="H1" wo="0.035887" />
+      <nuclide name="O16" wo="0.2847761" />
+      <nuclide name="B10" wo="0.000115699" />
+      <nuclide name="B11" wo="0.000527075" />
+      <nuclide name="Fe54" wo="0.02644016154" />
+      <nuclide name="Fe56" wo="0.43037146399" />
+      <nuclide name="Fe57" wo="0.0101152584" />
+      <nuclide name="Fe58" wo="0.00137211607" />
+      <nuclide name="Ni58" wo="0.04104621835" />
+      <nuclide name="Mn55" wo="0.0135739" />
+      <nuclide name="Cr52" wo="0.107931450781" />
+      <sab name="c_H_in_H2O" />
+    </material>
+    <material id="11" name="Top of fuel assemblies">
+      <density units="g/cm3" value="3.044" />
+      <nuclide name="H1" wo="0.0162913" />
+      <nuclide name="O16" wo="0.1292776" />
+      <nuclide name="B10" wo="5.25228e-05" />
+      <nuclide name="B11" wo="0.000239272" />
+      <nuclide name="Zr90" wo="0.43313403903" />
+      <nuclide name="Zr91" wo="0.09549277374" />
+      <nuclide name="Zr92" wo="0.14759527104" />
+      <nuclide name="Zr94" wo="0.15280552077" />
+      <nuclide name="Zr96" wo="0.02511169542" />
+      <sab name="c_H_in_H2O" />
+    </material>
+    <material id="12" name="Bottom of fuel assemblies">
+      <density units="g/cm3" value="1.762" />
+      <nuclide name="H1" wo="0.0292856" />
+      <nuclide name="O16" wo="0.2323919" />
+      <nuclide name="B10" wo="9.44159e-05" />
+      <nuclide name="B11" wo="0.00043012" />
+      <nuclide name="Zr90" wo="0.3741373658" />
+      <nuclide name="Zr91" wo="0.0824858164" />
+      <nuclide name="Zr92" wo="0.1274914944" />
+      <nuclide name="Zr94" wo="0.1319920622" />
+      <nuclide name="Zr96" wo="0.0216912612" />
+      <sab name="c_H_in_H2O" />
+    </material>
+  </materials>
+  <geometry>
+    <cell fill="200" id="1" region="-6 34 -35" universe="0" />
+    <cell fill="201" id="2" region="-6 35 -36" universe="0" />
+    <cell id="3" material="8" region="-7 31 -32" universe="0" />
+    <cell id="4" material="9" region="-5 32 -33" universe="0" />
+    <cell id="5" material="12" region="-5 33 -34" universe="0" />
+    <cell id="6" material="11" region="-5 36 -37" universe="0" />
+    <cell id="7" material="10" region="-5 37 -38" universe="0" />
+    <cell id="8" material="7" region="-7 38 -39" universe="0" />
+    <cell id="9" material="9" region="6 -7 32 -38" universe="0" />
+    <cell id="10" material="5" region="7 -8 31 -39" universe="0" />
+    <cell id="11" material="6" region="5 -6 32 -34" universe="0" />
+    <cell id="12" material="7" region="5 -6 36 -38" universe="0" />
+    <cell id="21" material="1" region="-1" universe="1" />
+    <cell id="22" material="2" region="1 -2" universe="1" />
+    <cell id="23" material="3" region="2" universe="1" />
+    <cell id="24" material="3" region="-3" universe="2" />
+    <cell id="25" material="2" region="3 -4" universe="2" />
+    <cell id="26" material="3" region="4" universe="2" />
+    <cell id="27" material="1" region="-1" universe="3" />
+    <cell id="28" material="2" region="1 -2" universe="3" />
+    <cell id="29" material="4" region="2" universe="3" />
+    <cell id="30" material="4" region="-3" universe="4" />
+    <cell id="31" material="2" region="3 -4" universe="4" />
+    <cell id="32" material="4" region="4" universe="4" />
+    <cell id="50" material="3" region="34 -35" universe="5" />
+    <cell fill="100" id="60" region="34 -35" universe="6" />
+    <cell id="70" material="4" region="35 -36" universe="7" />
+    <cell fill="101" id="80" region="35 -36" universe="8" />
+    <lattice id="100" name="Fuel assembly (lower half)">
+      <pitch>1.26 1.26</pitch>
+      <dimension>17 17</dimension>
+      <lower_left>-10.71 -10.71</lower_left>
+      <universes>
 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 
 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 
 1 1 1 1 1 2 1 1 2 1 1 2 1 1 1 1 1 
@@ -50,12 +199,12 @@
 1 1 1 1 1 2 1 1 2 1 1 2 1 1 1 1 1 
 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 
 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 </universes>
-  </lattice>
-  <lattice id="101" name="Fuel assembly (upper half)">
-    <pitch>1.26 1.26</pitch>
-    <dimension>17 17</dimension>
-    <lower_left>-10.71 -10.71</lower_left>
-    <universes>
+    </lattice>
+    <lattice id="101" name="Fuel assembly (upper half)">
+      <pitch>1.26 1.26</pitch>
+      <dimension>17 17</dimension>
+      <lower_left>-10.71 -10.71</lower_left>
+      <universes>
 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
 3 3 3 3 3 4 3 3 4 3 3 4 3 3 3 3 3 
@@ -73,12 +222,12 @@
 3 3 3 3 3 4 3 3 4 3 3 4 3 3 3 3 3 
 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 </universes>
-  </lattice>
-  <lattice id="200" name="Core lattice (lower half)">
-    <pitch>21.42 21.42</pitch>
-    <dimension>21 21</dimension>
-    <lower_left>-224.91 -224.91</lower_left>
-    <universes>
+    </lattice>
+    <lattice id="200" name="Core lattice (lower half)">
+      <pitch>21.42 21.42</pitch>
+      <dimension>21 21</dimension>
+      <lower_left>-224.91 -224.91</lower_left>
+      <universes>
 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 
 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 
 5 5 5 5 5 5 5 6 6 6 6 6 6 6 5 5 5 5 5 5 5 
@@ -100,12 +249,12 @@
 5 5 5 5 5 5 5 6 6 6 6 6 6 6 5 5 5 5 5 5 5 
 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 
 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 </universes>
-  </lattice>
-  <lattice id="201" name="Core lattice (lower half)">
-    <pitch>21.42 21.42</pitch>
-    <dimension>21 21</dimension>
-    <lower_left>-224.91 -224.91</lower_left>
-    <universes>
+    </lattice>
+    <lattice id="201" name="Core lattice (lower half)">
+      <pitch>21.42 21.42</pitch>
+      <dimension>21 21</dimension>
+      <lower_left>-224.91 -224.91</lower_left>
+      <universes>
 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 
 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 
 7 7 7 7 7 7 7 8 8 8 8 8 8 8 7 7 7 7 7 7 7 
@@ -127,313 +276,163 @@
 7 7 7 7 7 7 7 8 8 8 8 8 8 8 7 7 7 7 7 7 7 
 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 
 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 </universes>
-  </lattice>
-  <surface coeffs="0.0 0.0 0.41" id="1" type="z-cylinder" />
-  <surface coeffs="0.0 0.0 0.475" id="2" type="z-cylinder" />
-  <surface coeffs="0.0 0.0 0.56" id="3" type="z-cylinder" />
-  <surface coeffs="0.0 0.0 0.62" id="4" type="z-cylinder" />
-  <surface coeffs="0.0 0.0 187.6" id="5" type="z-cylinder" />
-  <surface coeffs="0.0 0.0 209.0" id="6" type="z-cylinder" />
-  <surface coeffs="0.0 0.0 229.0" id="7" type="z-cylinder" />
-  <surface boundary="vacuum" coeffs="0.0 0.0 249.0" id="8" type="z-cylinder" />
-  <surface boundary="vacuum" coeffs="-229.0" id="31" type="z-plane" />
-  <surface coeffs="-199.0" id="32" type="z-plane" />
-  <surface coeffs="-193.0" id="33" type="z-plane" />
-  <surface coeffs="-183.0" id="34" type="z-plane" />
-  <surface coeffs="0.0" id="35" type="z-plane" />
-  <surface coeffs="183.0" id="36" type="z-plane" />
-  <surface coeffs="203.0" id="37" type="z-plane" />
-  <surface coeffs="215.0" id="38" type="z-plane" />
-  <surface boundary="vacuum" coeffs="223.0" id="39" type="z-plane" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-  <material depletable="true" id="1" name="UOX fuel">
-    <density units="g/cm3" value="10.062" />
-    <nuclide ao="4.9476e-06" name="U234" />
-    <nuclide ao="0.00048218" name="U235" />
-    <nuclide ao="0.021504" name="U238" />
-    <nuclide ao="1.0801e-08" name="Xe135" />
-    <nuclide ao="0.045737" name="O16" />
-  </material>
-  <material id="2" name="Zircaloy">
-    <density units="g/cm3" value="5.77" />
-    <nuclide ao="0.5145" name="Zr90" />
-    <nuclide ao="0.1122" name="Zr91" />
-    <nuclide ao="0.1715" name="Zr92" />
-    <nuclide ao="0.1738" name="Zr94" />
-    <nuclide ao="0.028" name="Zr96" />
-  </material>
-  <material id="3" name="Cold borated water">
-    <density units="atom/b-cm" value="0.07416" />
-    <nuclide ao="2.0" name="H1" />
-    <nuclide ao="1.0" name="O16" />
-    <nuclide ao="0.000649" name="B10" />
-    <nuclide ao="0.002689" name="B11" />
-    <sab name="c_H_in_H2O" />
-  </material>
-  <material id="4" name="Hot borated water">
-    <density units="atom/b-cm" value="0.06614" />
-    <nuclide ao="2.0" name="H1" />
-    <nuclide ao="1.0" name="O16" />
-    <nuclide ao="0.000649" name="B10" />
-    <nuclide ao="0.002689" name="B11" />
-    <sab name="c_H_in_H2O" />
-  </material>
-  <material id="5" name="Reactor pressure vessel steel">
-    <density units="g/cm3" value="7.9" />
-    <nuclide name="Fe54" wo="0.05437098" />
-    <nuclide name="Fe56" wo="0.88500663" />
-    <nuclide name="Fe57" wo="0.0208008" />
-    <nuclide name="Fe58" wo="0.00282159" />
-    <nuclide name="Ni58" wo="0.0067198" />
-    <nuclide name="Ni60" wo="0.0026776" />
-    <nuclide name="Mn55" wo="0.01" />
-    <nuclide name="Cr52" wo="0.002092475" />
-    <nuclide name="C0" wo="0.0025" />
-    <nuclide name="Cu63" wo="0.0013696" />
-  </material>
-  <material id="6" name="Lower radial reflector">
-    <density units="g/cm3" value="4.32" />
-    <nuclide name="H1" wo="0.0095661" />
-    <nuclide name="O16" wo="0.0759107" />
-    <nuclide name="B10" wo="3.08409e-05" />
-    <nuclide name="B11" wo="0.000140499" />
-    <nuclide name="Fe54" wo="0.035620772088" />
-    <nuclide name="Fe56" wo="0.579805982228" />
-    <nuclide name="Fe57" wo="0.01362750048" />
-    <nuclide name="Fe58" wo="0.001848545204" />
-    <nuclide name="Ni58" wo="0.055298376566" />
-    <nuclide name="Mn55" wo="0.018287" />
-    <nuclide name="Cr52" wo="0.145407678031" />
-    <sab name="c_H_in_H2O" />
-  </material>
-  <material id="7" name="Upper radial reflector / Top plate region">
-    <density units="g/cm3" value="4.28" />
-    <nuclide name="H1" wo="0.0086117" />
-    <nuclide name="O16" wo="0.0683369" />
-    <nuclide name="B10" wo="2.77638e-05" />
-    <nuclide name="B11" wo="0.000126481" />
-    <nuclide name="Fe54" wo="0.035953677186" />
-    <nuclide name="Fe56" wo="0.585224740891" />
-    <nuclide name="Fe57" wo="0.01375486056" />
-    <nuclide name="Fe58" wo="0.001865821363" />
-    <nuclide name="Ni58" wo="0.055815129186" />
-    <nuclide name="Mn55" wo="0.0184579" />
-    <nuclide name="Cr52" wo="0.146766614995" />
-    <sab name="c_H_in_H2O" />
-  </material>
-  <material id="8" name="Bottom plate region">
-    <density units="g/cm3" value="7.184" />
-    <nuclide name="H1" wo="0.0011505" />
-    <nuclide name="O16" wo="0.0091296" />
-    <nuclide name="B10" wo="3.70915e-06" />
-    <nuclide name="B11" wo="1.68974e-05" />
-    <nuclide name="Fe54" wo="0.03855611055" />
-    <nuclide name="Fe56" wo="0.627585036425" />
-    <nuclide name="Fe57" wo="0.014750478" />
-    <nuclide name="Fe58" wo="0.002000875025" />
-    <nuclide name="Ni58" wo="0.059855207342" />
-    <nuclide name="Mn55" wo="0.019794" />
-    <nuclide name="Cr52" wo="0.157390026871" />
-    <sab name="c_H_in_H2O" />
-  </material>
-  <material id="9" name="Bottom nozzle region">
-    <density units="g/cm3" value="2.53" />
-    <nuclide name="H1" wo="0.0245014" />
-    <nuclide name="O16" wo="0.1944274" />
-    <nuclide name="B10" wo="7.89917e-05" />
-    <nuclide name="B11" wo="0.000359854" />
-    <nuclide name="Fe54" wo="0.030411411144" />
-    <nuclide name="Fe56" wo="0.495012237964" />
-    <nuclide name="Fe57" wo="0.01163454624" />
-    <nuclide name="Fe58" wo="0.001578204652" />
-    <nuclide name="Ni58" wo="0.047211231662" />
-    <nuclide name="Mn55" wo="0.0156126" />
-    <nuclide name="Cr52" wo="0.124142524198" />
-    <sab name="c_H_in_H2O" />
-  </material>
-  <material id="10" name="Top nozzle region">
-    <density units="g/cm3" value="1.746" />
-    <nuclide name="H1" wo="0.035887" />
-    <nuclide name="O16" wo="0.2847761" />
-    <nuclide name="B10" wo="0.000115699" />
-    <nuclide name="B11" wo="0.000527075" />
-    <nuclide name="Fe54" wo="0.02644016154" />
-    <nuclide name="Fe56" wo="0.43037146399" />
-    <nuclide name="Fe57" wo="0.0101152584" />
-    <nuclide name="Fe58" wo="0.00137211607" />
-    <nuclide name="Ni58" wo="0.04104621835" />
-    <nuclide name="Mn55" wo="0.0135739" />
-    <nuclide name="Cr52" wo="0.107931450781" />
-    <sab name="c_H_in_H2O" />
-  </material>
-  <material id="11" name="Top of fuel assemblies">
-    <density units="g/cm3" value="3.044" />
-    <nuclide name="H1" wo="0.0162913" />
-    <nuclide name="O16" wo="0.1292776" />
-    <nuclide name="B10" wo="5.25228e-05" />
-    <nuclide name="B11" wo="0.000239272" />
-    <nuclide name="Zr90" wo="0.43313403903" />
-    <nuclide name="Zr91" wo="0.09549277374" />
-    <nuclide name="Zr92" wo="0.14759527104" />
-    <nuclide name="Zr94" wo="0.15280552077" />
-    <nuclide name="Zr96" wo="0.02511169542" />
-    <sab name="c_H_in_H2O" />
-  </material>
-  <material id="12" name="Bottom of fuel assemblies">
-    <density units="g/cm3" value="1.762" />
-    <nuclide name="H1" wo="0.0292856" />
-    <nuclide name="O16" wo="0.2323919" />
-    <nuclide name="B10" wo="9.44159e-05" />
-    <nuclide name="B11" wo="0.00043012" />
-    <nuclide name="Zr90" wo="0.3741373658" />
-    <nuclide name="Zr91" wo="0.0824858164" />
-    <nuclide name="Zr92" wo="0.1274914944" />
-    <nuclide name="Zr94" wo="0.1319920622" />
-    <nuclide name="Zr96" wo="0.0216912612" />
-    <sab name="c_H_in_H2O" />
-  </material>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>eigenvalue</run_mode>
-  <particles>100</particles>
-  <batches>3</batches>
-  <inactive>0</inactive>
-  <source strength="1.0">
-    <space type="box">
-      <parameters>-160 -160 -183 160 160 183</parameters>
-    </space>
-  </source>
-  <temperature_multipole>true</temperature_multipole>
-</settings>
-<?xml version='1.0' encoding='utf-8'?>
-<tallies>
-  <filter id="1" type="material">
-    <bins>1 3</bins>
-  </filter>
-  <filter id="2" type="energyout">
-    <bins>0.0 0.625 20000000.0</bins>
-  </filter>
-  <tally id="1">
-    <filters>1</filters>
-    <scores>flux</scores>
-    <derivative>1</derivative>
-  </tally>
-  <tally id="2">
-    <filters>1</filters>
-    <scores>flux</scores>
-    <derivative>2</derivative>
-  </tally>
-  <tally id="3">
-    <filters>1</filters>
-    <scores>flux</scores>
-    <derivative>3</derivative>
-  </tally>
-  <tally id="4">
-    <filters>1</filters>
-    <scores>flux</scores>
-    <derivative>4</derivative>
-  </tally>
-  <tally id="5">
-    <filters>1</filters>
-    <scores>flux</scores>
-    <derivative>5</derivative>
-  </tally>
-  <tally id="6">
-    <filters>1</filters>
-    <nuclides>total U235</nuclides>
-    <scores>total absorption scatter fission nu-fission</scores>
-    <derivative>1</derivative>
-  </tally>
-  <tally id="7">
-    <filters>1</filters>
-    <nuclides>total U235</nuclides>
-    <scores>total absorption scatter fission nu-fission</scores>
-    <derivative>2</derivative>
-  </tally>
-  <tally id="8">
-    <filters>1</filters>
-    <nuclides>total U235</nuclides>
-    <scores>total absorption scatter fission nu-fission</scores>
-    <derivative>3</derivative>
-  </tally>
-  <tally id="9">
-    <filters>1</filters>
-    <nuclides>total U235</nuclides>
-    <scores>total absorption scatter fission nu-fission</scores>
-    <derivative>4</derivative>
-  </tally>
-  <tally id="10">
-    <filters>1</filters>
-    <nuclides>total U235</nuclides>
-    <scores>total absorption scatter fission nu-fission</scores>
-    <derivative>5</derivative>
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-  <tally id="11">
-    <filters>1</filters>
-    <scores>absorption</scores>
-    <estimator>analog</estimator>
-    <derivative>1</derivative>
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-  <tally id="12">
-    <filters>1</filters>
-    <scores>absorption</scores>
-    <estimator>analog</estimator>
-    <derivative>2</derivative>
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-  <tally id="13">
-    <filters>1</filters>
-    <scores>absorption</scores>
-    <estimator>analog</estimator>
-    <derivative>3</derivative>
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-  <tally id="14">
-    <filters>1</filters>
-    <scores>absorption</scores>
-    <estimator>analog</estimator>
-    <derivative>4</derivative>
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-  <tally id="15">
-    <filters>1</filters>
-    <scores>absorption</scores>
-    <estimator>analog</estimator>
-    <derivative>5</derivative>
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-  <tally id="16">
-    <filters>1 2</filters>
-    <nuclides>total U235</nuclides>
-    <scores>nu-fission scatter</scores>
-    <derivative>1</derivative>
-  </tally>
-  <tally id="17">
-    <filters>1 2</filters>
-    <nuclides>total U235</nuclides>
-    <scores>nu-fission scatter</scores>
-    <derivative>2</derivative>
-  </tally>
-  <tally id="18">
-    <filters>1 2</filters>
-    <nuclides>U235</nuclides>
-    <scores>nu-fission scatter</scores>
-    <derivative>3</derivative>
-  </tally>
-  <tally id="19">
-    <filters>1 2</filters>
-    <nuclides>U235</nuclides>
-    <scores>nu-fission scatter</scores>
-    <derivative>4</derivative>
-  </tally>
-  <tally id="20">
-    <filters>1 2</filters>
-    <nuclides>U235</nuclides>
-    <scores>nu-fission scatter</scores>
-    <derivative>5</derivative>
-  </tally>
-  <derivative id="1" material="3" variable="density" />
-  <derivative id="2" material="1" variable="density" />
-  <derivative id="3" material="1" nuclide="O16" variable="nuclide_density" />
-  <derivative id="4" material="1" nuclide="U235" variable="nuclide_density" />
-  <derivative id="5" material="1" variable="temperature" />
-</tallies>
+    </lattice>
+    <surface coeffs="0.0 0.0 0.41" id="1" type="z-cylinder" />
+    <surface coeffs="0.0 0.0 0.475" id="2" type="z-cylinder" />
+    <surface coeffs="0.0 0.0 0.56" id="3" type="z-cylinder" />
+    <surface coeffs="0.0 0.0 0.62" id="4" type="z-cylinder" />
+    <surface coeffs="0.0 0.0 187.6" id="5" type="z-cylinder" />
+    <surface coeffs="0.0 0.0 209.0" id="6" type="z-cylinder" />
+    <surface coeffs="0.0 0.0 229.0" id="7" type="z-cylinder" />
+    <surface boundary="vacuum" coeffs="0.0 0.0 249.0" id="8" type="z-cylinder" />
+    <surface boundary="vacuum" coeffs="-229.0" id="31" type="z-plane" />
+    <surface coeffs="-199.0" id="32" type="z-plane" />
+    <surface coeffs="-193.0" id="33" type="z-plane" />
+    <surface coeffs="-183.0" id="34" type="z-plane" />
+    <surface coeffs="0.0" id="35" type="z-plane" />
+    <surface coeffs="183.0" id="36" type="z-plane" />
+    <surface coeffs="203.0" id="37" type="z-plane" />
+    <surface coeffs="215.0" id="38" type="z-plane" />
+    <surface boundary="vacuum" coeffs="223.0" id="39" type="z-plane" />
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>3</batches>
+    <inactive>0</inactive>
+    <source strength="1.0">
+      <space type="box">
+        <parameters>-160 -160 -183 160 160 183</parameters>
+      </space>
+    </source>
+    <temperature_multipole>true</temperature_multipole>
+  </settings>
+  <tallies>
+    <filter id="1" type="material">
+      <bins>1 3</bins>
+    </filter>
+    <filter id="2" type="energyout">
+      <bins>0.0 0.625 20000000.0</bins>
+    </filter>
+    <tally id="1">
+      <filters>1</filters>
+      <scores>flux</scores>
+      <derivative>1</derivative>
+    </tally>
+    <tally id="2">
+      <filters>1</filters>
+      <scores>flux</scores>
+      <derivative>2</derivative>
+    </tally>
+    <tally id="3">
+      <filters>1</filters>
+      <scores>flux</scores>
+      <derivative>3</derivative>
+    </tally>
+    <tally id="4">
+      <filters>1</filters>
+      <scores>flux</scores>
+      <derivative>4</derivative>
+    </tally>
+    <tally id="5">
+      <filters>1</filters>
+      <scores>flux</scores>
+      <derivative>5</derivative>
+    </tally>
+    <tally id="6">
+      <filters>1</filters>
+      <nuclides>total U235</nuclides>
+      <scores>total absorption scatter fission nu-fission</scores>
+      <derivative>1</derivative>
+    </tally>
+    <tally id="7">
+      <filters>1</filters>
+      <nuclides>total U235</nuclides>
+      <scores>total absorption scatter fission nu-fission</scores>
+      <derivative>2</derivative>
+    </tally>
+    <tally id="8">
+      <filters>1</filters>
+      <nuclides>total U235</nuclides>
+      <scores>total absorption scatter fission nu-fission</scores>
+      <derivative>3</derivative>
+    </tally>
+    <tally id="9">
+      <filters>1</filters>
+      <nuclides>total U235</nuclides>
+      <scores>total absorption scatter fission nu-fission</scores>
+      <derivative>4</derivative>
+    </tally>
+    <tally id="10">
+      <filters>1</filters>
+      <nuclides>total U235</nuclides>
+      <scores>total absorption scatter fission nu-fission</scores>
+      <derivative>5</derivative>
+    </tally>
+    <tally id="11">
+      <filters>1</filters>
+      <scores>absorption</scores>
+      <estimator>analog</estimator>
+      <derivative>1</derivative>
+    </tally>
+    <tally id="12">
+      <filters>1</filters>
+      <scores>absorption</scores>
+      <estimator>analog</estimator>
+      <derivative>2</derivative>
+    </tally>
+    <tally id="13">
+      <filters>1</filters>
+      <scores>absorption</scores>
+      <estimator>analog</estimator>
+      <derivative>3</derivative>
+    </tally>
+    <tally id="14">
+      <filters>1</filters>
+      <scores>absorption</scores>
+      <estimator>analog</estimator>
+      <derivative>4</derivative>
+    </tally>
+    <tally id="15">
+      <filters>1</filters>
+      <scores>absorption</scores>
+      <estimator>analog</estimator>
+      <derivative>5</derivative>
+    </tally>
+    <tally id="16">
+      <filters>1 2</filters>
+      <nuclides>total U235</nuclides>
+      <scores>nu-fission scatter</scores>
+      <derivative>1</derivative>
+    </tally>
+    <tally id="17">
+      <filters>1 2</filters>
+      <nuclides>total U235</nuclides>
+      <scores>nu-fission scatter</scores>
+      <derivative>2</derivative>
+    </tally>
+    <tally id="18">
+      <filters>1 2</filters>
+      <nuclides>U235</nuclides>
+      <scores>nu-fission scatter</scores>
+      <derivative>3</derivative>
+    </tally>
+    <tally id="19">
+      <filters>1 2</filters>
+      <nuclides>U235</nuclides>
+      <scores>nu-fission scatter</scores>
+      <derivative>4</derivative>
+    </tally>
+    <tally id="20">
+      <filters>1 2</filters>
+      <nuclides>U235</nuclides>
+      <scores>nu-fission scatter</scores>
+      <derivative>5</derivative>
+    </tally>
+    <derivative id="1" material="3" variable="density" />
+    <derivative id="2" material="1" variable="density" />
+    <derivative id="3" material="1" nuclide="O16" variable="nuclide_density" />
+    <derivative id="4" material="1" nuclide="U235" variable="nuclide_density" />
+    <derivative id="5" material="1" variable="temperature" />
+  </tallies>
+</model>
diff --git a/tests/regression_tests/distribmat/inputs_true.dat b/tests/regression_tests/distribmat/inputs_true.dat
index a1c1e8311..f6c43c19a 100644
--- a/tests/regression_tests/distribmat/inputs_true.dat
+++ b/tests/regression_tests/distribmat/inputs_true.dat
@@ -1,62 +1,61 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell id="1" material="1" universe="1" />
-  <cell id="11" material="2 void 3 2" region="-9" universe="11" />
-  <cell id="12" material="1" region="9" universe="11" />
-  <cell fill="101" id="101" region="10 -11 12 -13" universe="0" />
-  <lattice id="101">
-    <pitch>2.0 2.0</pitch>
-    <outer>1</outer>
-    <dimension>2 2</dimension>
-    <lower_left>-2.0 -2.0</lower_left>
-    <universes>
+<model>
+  <materials>
+    <material id="1">
+      <density units="g/cc" value="1.0" />
+      <nuclide ao="2.0" name="H1" />
+      <nuclide ao="1.0" name="O16" />
+    </material>
+    <material depletable="true" id="2">
+      <density units="g/cc" value="4.5" />
+      <nuclide ao="1.0" name="U235" />
+    </material>
+    <material depletable="true" id="3">
+      <density units="g/cc" value="2.0" />
+      <nuclide ao="1.0" name="U235" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" universe="1" />
+    <cell id="11" material="2 void 3 2" region="-1" universe="11" />
+    <cell id="12" material="1" region="1" universe="11" />
+    <cell fill="101" id="101" region="2 -3 4 -5" universe="0" />
+    <lattice id="101">
+      <pitch>2.0 2.0</pitch>
+      <outer>1</outer>
+      <dimension>2 2</dimension>
+      <lower_left>-2.0 -2.0</lower_left>
+      <universes>
 11 11 
 11 11 </universes>
-  </lattice>
-  <surface coeffs="0.0 0.0 0.3" id="9" type="z-cylinder" />
-  <surface boundary="reflective" coeffs="-3.0" id="10" type="x-plane" />
-  <surface boundary="reflective" coeffs="3.0" id="11" type="x-plane" />
-  <surface boundary="reflective" coeffs="-3.0" id="12" type="y-plane" />
-  <surface boundary="reflective" coeffs="3.0" id="13" type="y-plane" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-  <material id="1">
-    <density units="g/cc" value="1.0" />
-    <nuclide ao="2.0" name="H1" />
-    <nuclide ao="1.0" name="O16" />
-  </material>
-  <material depletable="true" id="2">
-    <density units="g/cc" value="4.5" />
-    <nuclide ao="1.0" name="U235" />
-  </material>
-  <material depletable="true" id="3">
-    <density units="g/cc" value="2.0" />
-    <nuclide ao="1.0" name="U235" />
-  </material>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>eigenvalue</run_mode>
-  <particles>1000</particles>
-  <batches>5</batches>
-  <inactive>0</inactive>
-  <source strength="1.0">
-    <space type="box">
-      <parameters>-1 -1 -1 1 1 1</parameters>
-    </space>
-  </source>
-</settings>
-<?xml version='1.0' encoding='utf-8'?>
-<plots>
-  <plot basis="xy" color_by="cell" filename="cellplot" id="1" type="slice">
-    <origin>0 0 0</origin>
-    <width>7 7</width>
-    <pixels>400 400</pixels>
-  </plot>
-  <plot basis="xy" color_by="material" filename="matplot" id="2" type="slice">
-    <origin>0 0 0</origin>
-    <width>7 7</width>
-    <pixels>400 400</pixels>
-  </plot>
-</plots>
+    </lattice>
+    <surface coeffs="0.0 0.0 0.3" id="1" type="z-cylinder" />
+    <surface boundary="reflective" coeffs="-3.0" id="2" type="x-plane" />
+    <surface boundary="reflective" coeffs="3.0" id="3" type="x-plane" />
+    <surface boundary="reflective" coeffs="-3.0" id="4" type="y-plane" />
+    <surface boundary="reflective" coeffs="3.0" id="5" type="y-plane" />
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>1000</particles>
+    <batches>5</batches>
+    <inactive>0</inactive>
+    <source strength="1.0">
+      <space type="box">
+        <parameters>-1 -1 -1 1 1 1</parameters>
+      </space>
+    </source>
+  </settings>
+  <plots>
+    <plot basis="xy" color_by="cell" filename="cellplot" id="1" type="slice">
+      <origin>0 0 0</origin>
+      <width>7 7</width>
+      <pixels>400 400</pixels>
+    </plot>
+    <plot basis="xy" color_by="material" filename="matplot" id="2" type="slice">
+      <origin>0 0 0</origin>
+      <width>7 7</width>
+      <pixels>400 400</pixels>
+    </plot>
+  </plots>
+</model>
diff --git a/tests/regression_tests/distribmat/results_true.dat b/tests/regression_tests/distribmat/results_true.dat
index 4613434ce..af7b27fe7 100644
--- a/tests/regression_tests/distribmat/results_true.dat
+++ b/tests/regression_tests/distribmat/results_true.dat
@@ -4,7 +4,7 @@ Cell
 	ID             =	11
 	Name           =	
 	Fill           =	[2, None, 3, 2]
-	Region         =	-9
+	Region         =	-1
 	Rotation       =	None
 	Translation    =	None
 	Volume         =	None
diff --git a/tests/regression_tests/distribmat/test.py b/tests/regression_tests/distribmat/test.py
index 33f64ba03..ab7897313 100644
--- a/tests/regression_tests/distribmat/test.py
+++ b/tests/regression_tests/distribmat/test.py
@@ -4,7 +4,8 @@ from tests.testing_harness import TestHarness, PyAPITestHarness
 
 
 class DistribmatTestHarness(PyAPITestHarness):
-    def _build_inputs(self):
+    def __init__(self, *args, **kwargs):
+        super().__init__(*args, **kwargs)
         ####################
         # Materials
         ####################
@@ -22,8 +23,8 @@ class DistribmatTestHarness(PyAPITestHarness):
         light_fuel.set_density('g/cc', 2.0)
         light_fuel.add_nuclide('U235', 1.0)
 
-        mats_file = openmc.Materials([moderator, dense_fuel, light_fuel])
-        mats_file.export_to_xml()
+        self._model.materials = openmc.Materials([moderator, dense_fuel,
+                                                  light_fuel])
 
         ####################
         # Geometry
@@ -54,8 +55,7 @@ class DistribmatTestHarness(PyAPITestHarness):
         c101.region = +x0 & -x1 & +y0 & -y1
         root_univ = openmc.Universe(universe_id=0, cells=[c101])
 
-        geometry = openmc.Geometry(root_univ)
-        geometry.export_to_xml()
+        self._model.geometry = openmc.Geometry(root_univ)
 
         ####################
         # Settings
@@ -67,7 +67,7 @@ class DistribmatTestHarness(PyAPITestHarness):
         sets_file.particles = 1000
         sets_file.source = openmc.Source(space=openmc.stats.Box(
             [-1, -1, -1], [1, 1, 1]))
-        sets_file.export_to_xml()
+        self._model.settings = sets_file
 
         ####################
         # Plots
@@ -89,8 +89,7 @@ class DistribmatTestHarness(PyAPITestHarness):
         plot2.width = (7, 7)
         plot2.pixels = (400, 400)
 
-        plots = openmc.Plots([plot1, plot2])
-        plots.export_to_xml()
+        self._model.plots = openmc.Plots([plot1, plot2])
 
     def _get_results(self):
         outstr = super()._get_results()
@@ -100,5 +99,5 @@ class DistribmatTestHarness(PyAPITestHarness):
 
 
 def test_distribmat():
-    harness = DistribmatTestHarness('statepoint.5.h5')
+    harness = DistribmatTestHarness('statepoint.5.h5', model=openmc.Model())
     harness.main()
diff --git a/tests/regression_tests/eigenvalue_genperbatch/inputs_true.dat b/tests/regression_tests/eigenvalue_genperbatch/inputs_true.dat
index 7348663e8..225b23ffa 100644
--- a/tests/regression_tests/eigenvalue_genperbatch/inputs_true.dat
+++ b/tests/regression_tests/eigenvalue_genperbatch/inputs_true.dat
@@ -1,31 +1,30 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell id="1" material="1" region="-1" universe="1" />
-  <surface boundary="vacuum" coeffs="0.0 0.0 0.0 10.0" id="1" type="sphere" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-  <material depletable="true" id="1">
-    <density units="g/cm3" value="4.5" />
-    <nuclide ao="1.0" name="U235" />
-  </material>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>eigenvalue</run_mode>
-  <particles>1000</particles>
-  <batches>7</batches>
-  <inactive>3</inactive>
-  <generations_per_batch>3</generations_per_batch>
-  <source strength="1.0">
-    <space type="box">
-      <parameters>-4.0 -4.0 -4.0 4.0 4.0 4.0</parameters>
-    </space>
-  </source>
-</settings>
-<?xml version='1.0' encoding='utf-8'?>
-<tallies>
-  <tally id="1">
-    <scores>flux</scores>
-  </tally>
-</tallies>
+<model>
+  <materials>
+    <material depletable="true" id="1">
+      <density units="g/cm3" value="4.5" />
+      <nuclide ao="1.0" name="U235" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="-1" universe="1" />
+    <surface boundary="vacuum" coeffs="0.0 0.0 0.0 10.0" id="1" type="sphere" />
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>1000</particles>
+    <batches>7</batches>
+    <inactive>3</inactive>
+    <generations_per_batch>3</generations_per_batch>
+    <source strength="1.0">
+      <space type="box">
+        <parameters>-4.0 -4.0 -4.0 4.0 4.0 4.0</parameters>
+      </space>
+    </source>
+  </settings>
+  <tallies>
+    <tally id="1">
+      <scores>flux</scores>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/energy_cutoff/inputs_true.dat b/tests/regression_tests/energy_cutoff/inputs_true.dat
index bb02369dc..e874a0c7a 100644
--- a/tests/regression_tests/energy_cutoff/inputs_true.dat
+++ b/tests/regression_tests/energy_cutoff/inputs_true.dat
@@ -1,42 +1,41 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell id="1" material="1" name="box" region="1 -2 3 -4 5 -6" universe="0" />
-  <surface boundary="reflective" coeffs="-1" id="1" type="x-plane" />
-  <surface boundary="reflective" coeffs="1" id="2" type="x-plane" />
-  <surface boundary="reflective" coeffs="-1" id="3" type="y-plane" />
-  <surface boundary="reflective" coeffs="1" id="4" type="y-plane" />
-  <surface boundary="reflective" coeffs="-1" id="5" type="z-plane" />
-  <surface boundary="reflective" coeffs="1" id="6" type="z-plane" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-  <material id="1" name="mat">
-    <density units="atom/b-cm" value="0.069335" />
-    <nuclide ao="40.0" name="H1" />
-  </material>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>fixed source</run_mode>
-  <particles>100</particles>
-  <batches>10</batches>
-  <source strength="1.0">
-    <space type="box">
-      <parameters>-1 -1 -1 1 1 1</parameters>
-    </space>
-    <energy parameters="988000.0 2.249e-06" type="watt" />
-  </source>
-  <cutoff>
-    <energy_neutron>4.0</energy_neutron>
-  </cutoff>
-</settings>
-<?xml version='1.0' encoding='utf-8'?>
-<tallies>
-  <filter id="1" type="energy">
-    <bins>0.0 4.0</bins>
-  </filter>
-  <tally id="1">
-    <filters>1</filters>
-    <scores>flux</scores>
-  </tally>
-</tallies>
+<model>
+  <materials>
+    <material id="1" name="mat">
+      <density units="atom/b-cm" value="0.069335" />
+      <nuclide ao="40.0" name="H1" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" name="box" region="1 -2 3 -4 5 -6" universe="0" />
+    <surface boundary="reflective" coeffs="-1" id="1" type="x-plane" />
+    <surface boundary="reflective" coeffs="1" id="2" type="x-plane" />
+    <surface boundary="reflective" coeffs="-1" id="3" type="y-plane" />
+    <surface boundary="reflective" coeffs="1" id="4" type="y-plane" />
+    <surface boundary="reflective" coeffs="-1" id="5" type="z-plane" />
+    <surface boundary="reflective" coeffs="1" id="6" type="z-plane" />
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>100</particles>
+    <batches>10</batches>
+    <source strength="1.0">
+      <space type="box">
+        <parameters>-1 -1 -1 1 1 1</parameters>
+      </space>
+      <energy parameters="988000.0 2.249e-06" type="watt" />
+    </source>
+    <cutoff>
+      <energy_neutron>4.0</energy_neutron>
+    </cutoff>
+  </settings>
+  <tallies>
+    <filter id="1" type="energy">
+      <bins>0.0 4.0</bins>
+    </filter>
+    <tally id="1">
+      <filters>1</filters>
+      <scores>flux</scores>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/energy_cutoff/test.py b/tests/regression_tests/energy_cutoff/test.py
index d76edd9a0..e05d17f5f 100755
--- a/tests/regression_tests/energy_cutoff/test.py
+++ b/tests/regression_tests/energy_cutoff/test.py
@@ -4,7 +4,8 @@ from tests.testing_harness import PyAPITestHarness
 
 
 class EnergyCutoffTestHarness(PyAPITestHarness):
-    def _build_inputs(self):
+    def __init__(self, *args, **kwargs):
+        super().__init__(*args, **kwargs)
         # Set energy cutoff
         energy_cutoff = 4.0
 
@@ -12,8 +13,7 @@ class EnergyCutoffTestHarness(PyAPITestHarness):
         mat = openmc.Material(material_id=1, name='mat')
         mat.set_density('atom/b-cm', 0.069335)
         mat.add_nuclide('H1', 40.0)
-        materials_file = openmc.Materials([mat])
-        materials_file.export_to_xml()
+        self._model.materials = openmc.Materials([mat])
 
         # Cell is box with reflective boundary
         x1 = openmc.XPlane(surface_id=1, x0=-1)
@@ -29,8 +29,7 @@ class EnergyCutoffTestHarness(PyAPITestHarness):
         box.fill = mat
         root = openmc.Universe(universe_id=0, name='root universe')
         root.add_cell(box)
-        geometry = openmc.Geometry(root)
-        geometry.export_to_xml()
+        self._model.geometry = openmc.Geometry(root)
 
         # Set the running parameters
         settings_file = openmc.Settings()
@@ -43,7 +42,7 @@ class EnergyCutoffTestHarness(PyAPITestHarness):
         watt_dist = openmc.stats.Watt()
         settings_file.source = openmc.source.Source(space=uniform_dist,
                                                     energy=watt_dist)
-        settings_file.export_to_xml()
+        self._model.settings = settings_file
 
         # Tally flux under energy cutoff
         tallies = openmc.Tallies()
@@ -52,7 +51,7 @@ class EnergyCutoffTestHarness(PyAPITestHarness):
         energy_filter = openmc.filter.EnergyFilter((0.0, energy_cutoff))
         tally.filters = [energy_filter]
         tallies.append(tally)
-        tallies.export_to_xml()
+        self._model.tallies = tallies
 
     def _get_results(self):
         """Digest info in the statepoint and return as a string."""
@@ -70,5 +69,5 @@ class EnergyCutoffTestHarness(PyAPITestHarness):
 
 
 def test_energy_cutoff():
-    harness = EnergyCutoffTestHarness('statepoint.10.h5')
+    harness = EnergyCutoffTestHarness('statepoint.10.h5', model=openmc.Model())
     harness.main()
diff --git a/tests/regression_tests/energy_laws/inputs_true.dat b/tests/regression_tests/energy_laws/inputs_true.dat
index 2320b21d5..c89ccc97e 100644
--- a/tests/regression_tests/energy_laws/inputs_true.dat
+++ b/tests/regression_tests/energy_laws/inputs_true.dat
@@ -1,23 +1,23 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell id="1" material="1" region="-1" universe="1" />
-  <surface boundary="reflective" coeffs="0.0 0.0 0.0 100.0" id="1" type="sphere" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-  <material depletable="true" id="1">
-    <density units="g/cm3" value="20.0" />
-    <nuclide ao="1.0" name="U233" />
-    <nuclide ao="1.0" name="Am244" />
-    <nuclide ao="1.0" name="H2" />
-    <nuclide ao="1.0" name="Na23" />
-    <nuclide ao="1.0" name="Ta181" />
-  </material>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>eigenvalue</run_mode>
-  <particles>1000</particles>
-  <batches>10</batches>
-  <inactive>5</inactive>
-</settings>
+<model>
+  <materials>
+    <material depletable="true" id="1">
+      <density units="g/cm3" value="20.0" />
+      <nuclide ao="1.0" name="U233" />
+      <nuclide ao="1.0" name="Am244" />
+      <nuclide ao="1.0" name="H2" />
+      <nuclide ao="1.0" name="Na23" />
+      <nuclide ao="1.0" name="Ta181" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="-1" universe="1" />
+    <surface boundary="reflective" coeffs="0.0 0.0 0.0 100.0" id="1" type="sphere" />
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>1000</particles>
+    <batches>10</batches>
+    <inactive>5</inactive>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/external_moab/inputs_true.dat b/tests/regression_tests/external_moab/inputs_true.dat
index af259eee4..2bcbad0df 100644
--- a/tests/regression_tests/external_moab/inputs_true.dat
+++ b/tests/regression_tests/external_moab/inputs_true.dat
@@ -1,73 +1,72 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell id="1" material="1" name="fuel" region="1 -2 3 -4 5 -6" universe="1" />
-  <cell id="2" material="2" name="clad" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1" />
-  <cell id="3" material="3" name="water" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1" />
-  <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane" />
-  <surface coeffs="5.0" id="2" name="maximum x" type="x-plane" />
-  <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane" />
-  <surface coeffs="5.0" id="4" name="maximum y" type="y-plane" />
-  <surface coeffs="-5.0" id="5" name="minimum z" type="z-plane" />
-  <surface coeffs="5.0" id="6" name="maximum z" type="z-plane" />
-  <surface coeffs="-6.0" id="7" name="minimum x" type="x-plane" />
-  <surface coeffs="6.0" id="8" name="maximum x" type="x-plane" />
-  <surface coeffs="-6.0" id="9" name="minimum y" type="y-plane" />
-  <surface coeffs="6.0" id="10" name="maximum y" type="y-plane" />
-  <surface coeffs="-6.0" id="11" name="minimum z" type="z-plane" />
-  <surface coeffs="6.0" id="12" name="maximum z" type="z-plane" />
-  <surface boundary="vacuum" coeffs="-10" id="13" name="minimum x" type="x-plane" />
-  <surface boundary="vacuum" coeffs="10" id="14" name="maximum x" type="x-plane" />
-  <surface boundary="vacuum" coeffs="-10" id="15" name="minimum y" type="y-plane" />
-  <surface boundary="vacuum" coeffs="10" id="16" name="maximum y" type="y-plane" />
-  <surface boundary="vacuum" coeffs="-10" id="17" name="minimum z" type="z-plane" />
-  <surface boundary="vacuum" coeffs="10" id="18" name="maximum z" type="z-plane" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-  <material depletable="true" id="1" name="fuel">
-    <density units="g/cc" value="4.5" />
-    <nuclide ao="1.0" name="U235" />
-  </material>
-  <material id="2" name="zircaloy">
-    <density units="g/cc" value="5.77" />
-    <nuclide ao="0.5145" name="Zr90" />
-    <nuclide ao="0.1122" name="Zr91" />
-    <nuclide ao="0.1715" name="Zr92" />
-    <nuclide ao="0.1738" name="Zr94" />
-    <nuclide ao="0.028" name="Zr96" />
-  </material>
-  <material id="3" name="water">
-    <density units="atom/b-cm" value="0.07416" />
-    <nuclide ao="2.0" name="H1" />
-    <nuclide ao="1.0" name="O16" />
-  </material>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>fixed source</run_mode>
-  <particles>100</particles>
-  <batches>10</batches>
-  <source strength="1.0">
-    <space type="point">
-      <parameters>0.0 0.0 0.0</parameters>
-    </space>
-    <angle reference_uvw="-1.0 0.0 0.0" type="monodirectional" />
-    <energy type="discrete">
-      <parameters>15000000.0 1.0</parameters>
-    </energy>
-  </source>
-</settings>
-<?xml version='1.0' encoding='utf-8'?>
-<tallies>
-  <mesh id="1" library="moab" type="unstructured">
-    <filename>test_mesh_tets.h5m</filename>
-  </mesh>
-  <filter id="1" type="mesh">
-    <bins>1</bins>
-  </filter>
-  <tally id="1" name="unstructured mesh tally">
-    <filters>1</filters>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-</tallies>
+<model>
+  <materials>
+    <material depletable="true" id="1" name="fuel">
+      <density units="g/cc" value="4.5" />
+      <nuclide ao="1.0" name="U235" />
+    </material>
+    <material id="2" name="zircaloy">
+      <density units="g/cc" value="5.77" />
+      <nuclide ao="0.5145" name="Zr90" />
+      <nuclide ao="0.1122" name="Zr91" />
+      <nuclide ao="0.1715" name="Zr92" />
+      <nuclide ao="0.1738" name="Zr94" />
+      <nuclide ao="0.028" name="Zr96" />
+    </material>
+    <material id="3" name="water">
+      <density units="atom/b-cm" value="0.07416" />
+      <nuclide ao="2.0" name="H1" />
+      <nuclide ao="1.0" name="O16" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" name="fuel" region="1 -2 3 -4 5 -6" universe="1" />
+    <cell id="2" material="2" name="clad" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1" />
+    <cell id="3" material="3" name="water" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1" />
+    <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane" />
+    <surface coeffs="5.0" id="2" name="maximum x" type="x-plane" />
+    <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane" />
+    <surface coeffs="5.0" id="4" name="maximum y" type="y-plane" />
+    <surface coeffs="-5.0" id="5" name="minimum z" type="z-plane" />
+    <surface coeffs="5.0" id="6" name="maximum z" type="z-plane" />
+    <surface coeffs="-6.0" id="7" name="minimum x" type="x-plane" />
+    <surface coeffs="6.0" id="8" name="maximum x" type="x-plane" />
+    <surface coeffs="-6.0" id="9" name="minimum y" type="y-plane" />
+    <surface coeffs="6.0" id="10" name="maximum y" type="y-plane" />
+    <surface coeffs="-6.0" id="11" name="minimum z" type="z-plane" />
+    <surface coeffs="6.0" id="12" name="maximum z" type="z-plane" />
+    <surface boundary="vacuum" coeffs="-10" id="13" name="minimum x" type="x-plane" />
+    <surface boundary="vacuum" coeffs="10" id="14" name="maximum x" type="x-plane" />
+    <surface boundary="vacuum" coeffs="-10" id="15" name="minimum y" type="y-plane" />
+    <surface boundary="vacuum" coeffs="10" id="16" name="maximum y" type="y-plane" />
+    <surface boundary="vacuum" coeffs="-10" id="17" name="minimum z" type="z-plane" />
+    <surface boundary="vacuum" coeffs="10" id="18" name="maximum z" type="z-plane" />
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>100</particles>
+    <batches>10</batches>
+    <source strength="1.0">
+      <space type="point">
+        <parameters>0.0 0.0 0.0</parameters>
+      </space>
+      <angle reference_uvw="-1.0 0.0 0.0" type="monodirectional" />
+      <energy type="discrete">
+        <parameters>15000000.0 1.0</parameters>
+      </energy>
+    </source>
+  </settings>
+  <tallies>
+    <mesh id="1" library="moab" type="unstructured">
+      <filename>test_mesh_tets.h5m</filename>
+    </mesh>
+    <filter id="1" type="mesh">
+      <bins>1</bins>
+    </filter>
+    <tally id="1" name="unstructured mesh tally">
+      <filters>1</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/external_moab/test.py b/tests/regression_tests/external_moab/test.py
index b9d307239..12e0e5425 100644
--- a/tests/regression_tests/external_moab/test.py
+++ b/tests/regression_tests/external_moab/test.py
@@ -162,8 +162,6 @@ def test_external_mesh(cpp_driver):
     water_mat.set_density("atom/b-cm", 0.07416)
     materials.append(water_mat)
 
-    materials.export_to_xml()
-
     # Geometry
     fuel_min_x = openmc.XPlane(-5.0, name="minimum x")
     fuel_max_x = openmc.XPlane(5.0, name="maximum x")
diff --git a/tests/regression_tests/filter_cellinstance/inputs_true.dat b/tests/regression_tests/filter_cellinstance/inputs_true.dat
index f9d3ca58d..d00aae75d 100644
--- a/tests/regression_tests/filter_cellinstance/inputs_true.dat
+++ b/tests/regression_tests/filter_cellinstance/inputs_true.dat
@@ -1,65 +1,64 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell id="1" material="1" region="-1" universe="2" />
-  <cell id="2" material="2" region="1" universe="1" />
-  <cell fill="1" id="3" universe="2" />
-  <cell id="4" material="1" region="-2" universe="3" />
-  <cell id="5" material="2" region="2" universe="3" />
-  <cell fill="4" id="6" region="3 -4 5 -6" universe="5" />
-  <lattice id="4">
-    <pitch>2 2</pitch>
-    <dimension>4 4</dimension>
-    <lower_left>-4 -4</lower_left>
-    <universes>
+<model>
+  <materials>
+    <material depletable="true" id="1">
+      <density units="g/cc" value="4.5" />
+      <nuclide ao="1.0" name="U235" />
+    </material>
+    <material id="2">
+      <density units="g/cc" value="1.0" />
+      <nuclide ao="1.0" name="H1" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="-1" universe="2" />
+    <cell id="2" material="2" region="1" universe="1" />
+    <cell fill="1" id="3" universe="2" />
+    <cell id="4" material="1" region="-2" universe="3" />
+    <cell id="5" material="2" region="2" universe="3" />
+    <cell fill="4" id="6" region="3 -4 5 -6" universe="5" />
+    <lattice id="4">
+      <pitch>2 2</pitch>
+      <dimension>4 4</dimension>
+      <lower_left>-4 -4</lower_left>
+      <universes>
 2 3 3 3 
 3 2 3 3 
 3 3 2 3 
 3 3 3 2 </universes>
-  </lattice>
-  <surface coeffs="0.0 0.0 0.7" id="1" type="z-cylinder" />
-  <surface coeffs="0.0 0.0 0.5" id="2" type="z-cylinder" />
-  <surface boundary="reflective" coeffs="-4.0" id="3" name="minimum x" type="x-plane" />
-  <surface boundary="reflective" coeffs="4.0" id="4" name="maximum x" type="x-plane" />
-  <surface boundary="reflective" coeffs="-4.0" id="5" name="minimum y" type="y-plane" />
-  <surface boundary="reflective" coeffs="4.0" id="6" name="maximum y" type="y-plane" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-  <material depletable="true" id="1">
-    <density units="g/cc" value="4.5" />
-    <nuclide ao="1.0" name="U235" />
-  </material>
-  <material id="2">
-    <density units="g/cc" value="1.0" />
-    <nuclide ao="1.0" name="H1" />
-  </material>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>eigenvalue</run_mode>
-  <particles>1000</particles>
-  <batches>5</batches>
-  <inactive>0</inactive>
-  <source strength="1.0">
-    <space type="point">
-      <parameters>0.0 0.0 0.0</parameters>
-    </space>
-  </source>
-</settings>
-<?xml version='1.0' encoding='utf-8'?>
-<tallies>
-  <filter id="1" type="cellinstance">
-    <bins>4 0 4 1 4 2 4 3 4 4 4 5 4 6 4 7 4 8 4 9 4 10 4 11 2 0 2 1 2 2 2 3 3 0 3 1 3 2 3 3</bins>
-  </filter>
-  <filter id="2" type="cellinstance">
-    <bins>3 3 3 2 3 1 3 0 2 3 2 2 2 1 2 0 4 11 4 10 4 9 4 8 4 7 4 6 4 5 4 4 4 3 4 2 4 1 4 0</bins>
-  </filter>
-  <tally id="1">
-    <filters>1</filters>
-    <scores>total</scores>
-  </tally>
-  <tally id="2">
-    <filters>2</filters>
-    <scores>total</scores>
-  </tally>
-</tallies>
+    </lattice>
+    <surface coeffs="0.0 0.0 0.7" id="1" type="z-cylinder" />
+    <surface coeffs="0.0 0.0 0.5" id="2" type="z-cylinder" />
+    <surface boundary="reflective" coeffs="-4.0" id="3" name="minimum x" type="x-plane" />
+    <surface boundary="reflective" coeffs="4.0" id="4" name="maximum x" type="x-plane" />
+    <surface boundary="reflective" coeffs="-4.0" id="5" name="minimum y" type="y-plane" />
+    <surface boundary="reflective" coeffs="4.0" id="6" name="maximum y" type="y-plane" />
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>1000</particles>
+    <batches>5</batches>
+    <inactive>0</inactive>
+    <source strength="1.0">
+      <space type="point">
+        <parameters>0.0 0.0 0.0</parameters>
+      </space>
+    </source>
+  </settings>
+  <tallies>
+    <filter id="1" type="cellinstance">
+      <bins>4 0 4 1 4 2 4 3 4 4 4 5 4 6 4 7 4 8 4 9 4 10 4 11 2 0 2 1 2 2 2 3 3 0 3 1 3 2 3 3</bins>
+    </filter>
+    <filter id="2" type="cellinstance">
+      <bins>3 3 3 2 3 1 3 0 2 3 2 2 2 1 2 0 4 11 4 10 4 9 4 8 4 7 4 6 4 5 4 4 4 3 4 2 4 1 4 0</bins>
+    </filter>
+    <tally id="1">
+      <filters>1</filters>
+      <scores>total</scores>
+    </tally>
+    <tally id="2">
+      <filters>2</filters>
+      <scores>total</scores>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/filter_energyfun/inputs_true.dat b/tests/regression_tests/filter_energyfun/inputs_true.dat
index db7f91ed0..706c70e34 100644
--- a/tests/regression_tests/filter_energyfun/inputs_true.dat
+++ b/tests/regression_tests/filter_energyfun/inputs_true.dat
@@ -1,106 +1,105 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell id="1" material="1" region="-1" universe="1" />
-  <surface boundary="vacuum" coeffs="0.0 0.0 0.0 100.0" id="1" type="sphere" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-  <material depletable="true" id="1">
-    <density units="g/cm3" value="10.0" />
-    <nuclide ao="1.0" name="Am241" />
-  </material>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>eigenvalue</run_mode>
-  <particles>1000</particles>
-  <batches>5</batches>
-  <inactive>0</inactive>
-</settings>
-<?xml version='1.0' encoding='utf-8'?>
-<tallies>
-  <filter id="1" type="energyfunction">
-    <energy>1e-05 0.369 1000.0 100000.0 600000.0 1000000.0 2000000.0 4000000.0 30000000.0</energy>
-    <y>0.1 0.1 0.1333 0.158 0.18467 0.25618 0.4297 0.48 0.48</y>
-    <interpolation>linear-linear</interpolation>
-  </filter>
-  <filter id="3" type="energyfunction">
-    <energy>1e-05 0.369 1000.0 100000.0 600000.0 1000000.0 2000000.0 4000000.0 30000000.0</energy>
-    <y>0.1 0.1 0.1333 0.158 0.18467 0.25618 0.4297 0.48 0.48</y>
-    <interpolation>log-log</interpolation>
-  </filter>
-  <filter id="4" type="energyfunction">
-    <energy>1e-05 0.369 1000.0 100000.0 600000.0 1000000.0 2000000.0 4000000.0 30000000.0</energy>
-    <y>0.1 0.1 0.1333 0.158 0.18467 0.25618 0.4297 0.48 0.48</y>
-    <interpolation>linear-log</interpolation>
-  </filter>
-  <filter id="5" type="energyfunction">
-    <energy>1e-05 0.369 1000.0 100000.0 600000.0 1000000.0 2000000.0 4000000.0 30000000.0</energy>
-    <y>0.1 0.1 0.1333 0.158 0.18467 0.25618 0.4297 0.48 0.48</y>
-    <interpolation>log-linear</interpolation>
-  </filter>
-  <filter id="6" type="energyfunction">
-    <energy>0.0 5000000.0 10000000.0 15000000.0</energy>
-    <y>0.2 0.7 0.7 0.2</y>
-    <interpolation>linear-linear</interpolation>
-  </filter>
-  <filter id="7" type="energyfunction">
-    <energy>0.0 5000000.0 10000000.0 15000000.0</energy>
-    <y>0.2 0.7 0.7 0.2</y>
-    <interpolation>quadratic</interpolation>
-  </filter>
-  <filter id="8" type="energyfunction">
-    <energy>0.0 5000000.0 10000000.0 15000000.0</energy>
-    <y>0.2 0.7 0.7 0.2</y>
-    <interpolation>cubic</interpolation>
-  </filter>
-  <filter id="9" type="energyfunction">
-    <energy>0.0 5000000.0 10000000.0 15000000.0</energy>
-    <y>0.2 0.7 0.7 0.2</y>
-    <interpolation>histogram</interpolation>
-  </filter>
-  <tally id="1">
-    <nuclides>Am241</nuclides>
-    <scores>(n,gamma)</scores>
-  </tally>
-  <tally id="2">
-    <filters>1</filters>
-    <nuclides>Am241</nuclides>
-    <scores>(n,gamma)</scores>
-  </tally>
-  <tally id="3">
-    <filters>3</filters>
-    <nuclides>Am241</nuclides>
-    <scores>(n,gamma)</scores>
-  </tally>
-  <tally id="4">
-    <filters>4</filters>
-    <nuclides>Am241</nuclides>
-    <scores>(n,gamma)</scores>
-  </tally>
-  <tally id="5">
-    <filters>5</filters>
-    <nuclides>Am241</nuclides>
-    <scores>(n,gamma)</scores>
-  </tally>
-  <tally id="6">
-    <filters>6</filters>
-    <nuclides>Am241</nuclides>
-    <scores>(n,gamma)</scores>
-  </tally>
-  <tally id="7">
-    <filters>7</filters>
-    <nuclides>Am241</nuclides>
-    <scores>(n,gamma)</scores>
-  </tally>
-  <tally id="8">
-    <filters>8</filters>
-    <nuclides>Am241</nuclides>
-    <scores>(n,gamma)</scores>
-  </tally>
-  <tally id="9">
-    <filters>9</filters>
-    <nuclides>Am241</nuclides>
-    <scores>(n,gamma)</scores>
-  </tally>
-</tallies>
+<model>
+  <materials>
+    <material depletable="true" id="1">
+      <density units="g/cm3" value="10.0" />
+      <nuclide ao="1.0" name="Am241" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="-1" universe="1" />
+    <surface boundary="vacuum" coeffs="0.0 0.0 0.0 100.0" id="1" type="sphere" />
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>1000</particles>
+    <batches>5</batches>
+    <inactive>0</inactive>
+  </settings>
+  <tallies>
+    <filter id="1" type="energyfunction">
+      <energy>1e-05 0.369 1000.0 100000.0 600000.0 1000000.0 2000000.0 4000000.0 30000000.0</energy>
+      <y>0.1 0.1 0.1333 0.158 0.18467 0.25618 0.4297 0.48 0.48</y>
+      <interpolation>linear-linear</interpolation>
+    </filter>
+    <filter id="3" type="energyfunction">
+      <energy>1e-05 0.369 1000.0 100000.0 600000.0 1000000.0 2000000.0 4000000.0 30000000.0</energy>
+      <y>0.1 0.1 0.1333 0.158 0.18467 0.25618 0.4297 0.48 0.48</y>
+      <interpolation>log-log</interpolation>
+    </filter>
+    <filter id="4" type="energyfunction">
+      <energy>1e-05 0.369 1000.0 100000.0 600000.0 1000000.0 2000000.0 4000000.0 30000000.0</energy>
+      <y>0.1 0.1 0.1333 0.158 0.18467 0.25618 0.4297 0.48 0.48</y>
+      <interpolation>linear-log</interpolation>
+    </filter>
+    <filter id="5" type="energyfunction">
+      <energy>1e-05 0.369 1000.0 100000.0 600000.0 1000000.0 2000000.0 4000000.0 30000000.0</energy>
+      <y>0.1 0.1 0.1333 0.158 0.18467 0.25618 0.4297 0.48 0.48</y>
+      <interpolation>log-linear</interpolation>
+    </filter>
+    <filter id="6" type="energyfunction">
+      <energy>0.0 5000000.0 10000000.0 15000000.0</energy>
+      <y>0.2 0.7 0.7 0.2</y>
+      <interpolation>linear-linear</interpolation>
+    </filter>
+    <filter id="7" type="energyfunction">
+      <energy>0.0 5000000.0 10000000.0 15000000.0</energy>
+      <y>0.2 0.7 0.7 0.2</y>
+      <interpolation>quadratic</interpolation>
+    </filter>
+    <filter id="8" type="energyfunction">
+      <energy>0.0 5000000.0 10000000.0 15000000.0</energy>
+      <y>0.2 0.7 0.7 0.2</y>
+      <interpolation>cubic</interpolation>
+    </filter>
+    <filter id="9" type="energyfunction">
+      <energy>0.0 5000000.0 10000000.0 15000000.0</energy>
+      <y>0.2 0.7 0.7 0.2</y>
+      <interpolation>histogram</interpolation>
+    </filter>
+    <tally id="1">
+      <nuclides>Am241</nuclides>
+      <scores>(n,gamma)</scores>
+    </tally>
+    <tally id="2">
+      <filters>1</filters>
+      <nuclides>Am241</nuclides>
+      <scores>(n,gamma)</scores>
+    </tally>
+    <tally id="3">
+      <filters>3</filters>
+      <nuclides>Am241</nuclides>
+      <scores>(n,gamma)</scores>
+    </tally>
+    <tally id="4">
+      <filters>4</filters>
+      <nuclides>Am241</nuclides>
+      <scores>(n,gamma)</scores>
+    </tally>
+    <tally id="5">
+      <filters>5</filters>
+      <nuclides>Am241</nuclides>
+      <scores>(n,gamma)</scores>
+    </tally>
+    <tally id="6">
+      <filters>6</filters>
+      <nuclides>Am241</nuclides>
+      <scores>(n,gamma)</scores>
+    </tally>
+    <tally id="7">
+      <filters>7</filters>
+      <nuclides>Am241</nuclides>
+      <scores>(n,gamma)</scores>
+    </tally>
+    <tally id="8">
+      <filters>8</filters>
+      <nuclides>Am241</nuclides>
+      <scores>(n,gamma)</scores>
+    </tally>
+    <tally id="9">
+      <filters>9</filters>
+      <nuclides>Am241</nuclides>
+      <scores>(n,gamma)</scores>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/filter_mesh/inputs_true.dat b/tests/regression_tests/filter_mesh/inputs_true.dat
index 8b08a2a3c..d0b617903 100644
--- a/tests/regression_tests/filter_mesh/inputs_true.dat
+++ b/tests/regression_tests/filter_mesh/inputs_true.dat
@@ -1,152 +1,151 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell id="1" material="1" region="1 -2 3 -4 10 -9" universe="1" />
-  <cell id="2" material="2" region="~(1 -2 3 -4) (5 -6 7 -8) 10 -9" universe="1" />
-  <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane" />
-  <surface coeffs="5.0" id="2" name="maximum x" type="x-plane" />
-  <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane" />
-  <surface coeffs="5.0" id="4" name="maximum y" type="y-plane" />
-  <surface boundary="reflective" coeffs="-10.0" id="5" name="minimum x" type="x-plane" />
-  <surface boundary="reflective" coeffs="10.0" id="6" name="maximum x" type="x-plane" />
-  <surface boundary="reflective" coeffs="-10.0" id="7" name="minimum y" type="y-plane" />
-  <surface boundary="reflective" coeffs="10.0" id="8" name="maximum y" type="y-plane" />
-  <surface boundary="vacuum" coeffs="10.0" id="9" type="z-plane" />
-  <surface boundary="vacuum" coeffs="-10.0" id="10" type="z-plane" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-  <material depletable="true" id="1">
-    <density units="g/cm3" value="10.0" />
-    <nuclide ao="1.0" name="U235" />
-  </material>
-  <material id="2">
-    <density units="g/cm3" value="1.0" />
-    <nuclide ao="1.0" name="Zr90" />
-  </material>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>eigenvalue</run_mode>
-  <particles>1000</particles>
-  <batches>5</batches>
-  <inactive>0</inactive>
-</settings>
-<?xml version='1.0' encoding='utf-8'?>
-<tallies>
-  <mesh id="1">
-    <dimension>5</dimension>
-    <lower_left>-7.5</lower_left>
-    <upper_right>7.5</upper_right>
-  </mesh>
-  <mesh id="2">
-    <dimension>5 5</dimension>
-    <lower_left>-7.5 -7.5</lower_left>
-    <upper_right>7.5 7.5</upper_right>
-  </mesh>
-  <mesh id="3">
-    <dimension>5 5 5</dimension>
-    <lower_left>-7.5 -7.5 -7.5</lower_left>
-    <upper_right>7.5 7.5 7.5</upper_right>
-  </mesh>
-  <mesh id="4" type="rectilinear">
-    <x_grid>-7.5 -6.617647058823529 -5.735294117647059 -4.852941176470589 -3.9705882352941178 -3.0882352941176467 -2.2058823529411766 -1.3235294117647065 -0.4411764705882355 0.4411764705882355 1.3235294117647065 2.2058823529411757 3.0882352941176467 3.9705882352941178 4.852941176470587 5.735294117647058 6.617647058823529 7.5</x_grid>
-    <y_grid>-7.5 -6.617647058823529 -5.735294117647059 -4.852941176470589 -3.9705882352941178 -3.0882352941176467 -2.2058823529411766 -1.3235294117647065 -0.4411764705882355 0.4411764705882355 1.3235294117647065 2.2058823529411757 3.0882352941176467 3.9705882352941178 4.852941176470587 5.735294117647058 6.617647058823529 7.5</y_grid>
-    <z_grid>1.0 1.223224374241637 1.4962778697388448 1.8302835609029084 2.2388474634702153 2.7386127875258306 3.3499379133114306 4.09772570775871 5.012437964687018 6.131336292779302 7.500000000000001</z_grid>
-  </mesh>
-  <mesh id="5" type="cylindrical">
-    <r_grid>0.0 0.4411764705882353 0.8823529411764706 1.3235294117647058 1.7647058823529411 2.2058823529411766 2.6470588235294117 3.0882352941176467 3.5294117647058822 3.9705882352941178 4.411764705882353 4.852941176470588 5.294117647058823 5.735294117647059 6.1764705882352935 6.617647058823529 7.0588235294117645 7.5</r_grid>
-    <phi_grid>0.0 0.3490658503988659 0.6981317007977318 1.0471975511965976 1.3962634015954636 1.7453292519943295 2.0943951023931953 2.443460952792061 2.792526803190927 3.141592653589793 3.490658503988659 3.839724354387525 4.1887902047863905 4.537856055185257 4.886921905584122 5.235987755982989 5.585053606381854 5.93411945678072 6.283185307179586</phi_grid>
-    <z_grid>-7.5 -6.5625 -5.625 -4.6875 -3.75 -2.8125 -1.875 -0.9375 0.0 0.9375 1.875 2.8125 3.75 4.6875 5.625 6.5625 7.5</z_grid>
-    <origin>0.0 0.0 0.0</origin>
-  </mesh>
-  <mesh id="6" type="spherical">
-    <r_grid>0.0 0.4411764705882353 0.8823529411764706 1.3235294117647058 1.7647058823529411 2.2058823529411766 2.6470588235294117 3.0882352941176467 3.5294117647058822 3.9705882352941178 4.411764705882353 4.852941176470588 5.294117647058823 5.735294117647059 6.1764705882352935 6.617647058823529 7.0588235294117645 7.5</r_grid>
-    <theta_grid>0.0 0.39269908169872414 0.7853981633974483 1.1780972450961724 1.5707963267948966 1.9634954084936207 2.356194490192345 2.748893571891069 3.141592653589793</theta_grid>
-    <phi_grid>0.0 0.3490658503988659 0.6981317007977318 1.0471975511965976 1.3962634015954636 1.7453292519943295 2.0943951023931953 2.443460952792061 2.792526803190927 3.141592653589793 3.490658503988659 3.839724354387525 4.1887902047863905 4.537856055185257 4.886921905584122 5.235987755982989 5.585053606381854 5.93411945678072 6.283185307179586</phi_grid>
-    <origin>0.0 0.0 0.0</origin>
-  </mesh>
-  <filter id="1" type="mesh">
-    <bins>1</bins>
-  </filter>
-  <filter id="7" type="meshsurface">
-    <bins>1</bins>
-  </filter>
-  <filter id="2" type="mesh">
-    <bins>2</bins>
-  </filter>
-  <filter id="8" type="meshsurface">
-    <bins>2</bins>
-  </filter>
-  <filter id="3" type="mesh">
-    <bins>3</bins>
-  </filter>
-  <filter id="9" type="meshsurface">
-    <bins>3</bins>
-  </filter>
-  <filter id="4" type="mesh">
-    <bins>4</bins>
-  </filter>
-  <filter id="10" type="meshsurface">
-    <bins>4</bins>
-  </filter>
-  <filter id="5" type="mesh">
-    <bins>5</bins>
-  </filter>
-  <filter id="11" type="meshsurface">
-    <bins>5</bins>
-  </filter>
-  <filter id="6" type="mesh">
-    <bins>6</bins>
-  </filter>
-  <filter id="12" type="meshsurface">
-    <bins>6</bins>
-  </filter>
-  <tally id="1">
-    <filters>1</filters>
-    <scores>total</scores>
-  </tally>
-  <tally id="2">
-    <filters>7</filters>
-    <scores>current</scores>
-  </tally>
-  <tally id="3">
-    <filters>2</filters>
-    <scores>total</scores>
-  </tally>
-  <tally id="4">
-    <filters>8</filters>
-    <scores>current</scores>
-  </tally>
-  <tally id="5">
-    <filters>3</filters>
-    <scores>total</scores>
-  </tally>
-  <tally id="6">
-    <filters>9</filters>
-    <scores>current</scores>
-  </tally>
-  <tally id="7">
-    <filters>4</filters>
-    <scores>total</scores>
-  </tally>
-  <tally id="8">
-    <filters>10</filters>
-    <scores>current</scores>
-  </tally>
-  <tally id="9">
-    <filters>5</filters>
-    <scores>total</scores>
-  </tally>
-  <tally id="10">
-    <filters>11</filters>
-    <scores>current</scores>
-  </tally>
-  <tally id="11">
-    <filters>6</filters>
-    <scores>total</scores>
-  </tally>
-  <tally id="12">
-    <filters>12</filters>
-    <scores>current</scores>
-  </tally>
-</tallies>
+<model>
+  <materials>
+    <material depletable="true" id="1">
+      <density units="g/cm3" value="10.0" />
+      <nuclide ao="1.0" name="U235" />
+    </material>
+    <material id="2">
+      <density units="g/cm3" value="1.0" />
+      <nuclide ao="1.0" name="Zr90" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="1 -2 3 -4 10 -9" universe="1" />
+    <cell id="2" material="2" region="~(1 -2 3 -4) (5 -6 7 -8) 10 -9" universe="1" />
+    <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane" />
+    <surface coeffs="5.0" id="2" name="maximum x" type="x-plane" />
+    <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane" />
+    <surface coeffs="5.0" id="4" name="maximum y" type="y-plane" />
+    <surface boundary="reflective" coeffs="-10.0" id="5" name="minimum x" type="x-plane" />
+    <surface boundary="reflective" coeffs="10.0" id="6" name="maximum x" type="x-plane" />
+    <surface boundary="reflective" coeffs="-10.0" id="7" name="minimum y" type="y-plane" />
+    <surface boundary="reflective" coeffs="10.0" id="8" name="maximum y" type="y-plane" />
+    <surface boundary="vacuum" coeffs="10.0" id="9" type="z-plane" />
+    <surface boundary="vacuum" coeffs="-10.0" id="10" type="z-plane" />
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>1000</particles>
+    <batches>5</batches>
+    <inactive>0</inactive>
+  </settings>
+  <tallies>
+    <mesh id="1">
+      <dimension>5</dimension>
+      <lower_left>-7.5</lower_left>
+      <upper_right>7.5</upper_right>
+    </mesh>
+    <mesh id="2">
+      <dimension>5 5</dimension>
+      <lower_left>-7.5 -7.5</lower_left>
+      <upper_right>7.5 7.5</upper_right>
+    </mesh>
+    <mesh id="3">
+      <dimension>5 5 5</dimension>
+      <lower_left>-7.5 -7.5 -7.5</lower_left>
+      <upper_right>7.5 7.5 7.5</upper_right>
+    </mesh>
+    <mesh id="4" type="rectilinear">
+      <x_grid>-7.5 -6.617647058823529 -5.735294117647059 -4.852941176470589 -3.9705882352941178 -3.0882352941176467 -2.2058823529411766 -1.3235294117647065 -0.4411764705882355 0.4411764705882355 1.3235294117647065 2.2058823529411757 3.0882352941176467 3.9705882352941178 4.852941176470587 5.735294117647058 6.617647058823529 7.5</x_grid>
+      <y_grid>-7.5 -6.617647058823529 -5.735294117647059 -4.852941176470589 -3.9705882352941178 -3.0882352941176467 -2.2058823529411766 -1.3235294117647065 -0.4411764705882355 0.4411764705882355 1.3235294117647065 2.2058823529411757 3.0882352941176467 3.9705882352941178 4.852941176470587 5.735294117647058 6.617647058823529 7.5</y_grid>
+      <z_grid>1.0 1.223224374241637 1.4962778697388448 1.8302835609029084 2.2388474634702153 2.7386127875258306 3.3499379133114306 4.09772570775871 5.012437964687018 6.131336292779302 7.500000000000001</z_grid>
+    </mesh>
+    <mesh id="5" type="cylindrical">
+      <r_grid>0.0 0.4411764705882353 0.8823529411764706 1.3235294117647058 1.7647058823529411 2.2058823529411766 2.6470588235294117 3.0882352941176467 3.5294117647058822 3.9705882352941178 4.411764705882353 4.852941176470588 5.294117647058823 5.735294117647059 6.1764705882352935 6.617647058823529 7.0588235294117645 7.5</r_grid>
+      <phi_grid>0.0 0.3490658503988659 0.6981317007977318 1.0471975511965976 1.3962634015954636 1.7453292519943295 2.0943951023931953 2.443460952792061 2.792526803190927 3.141592653589793 3.490658503988659 3.839724354387525 4.1887902047863905 4.537856055185257 4.886921905584122 5.235987755982989 5.585053606381854 5.93411945678072 6.283185307179586</phi_grid>
+      <z_grid>-7.5 -6.5625 -5.625 -4.6875 -3.75 -2.8125 -1.875 -0.9375 0.0 0.9375 1.875 2.8125 3.75 4.6875 5.625 6.5625 7.5</z_grid>
+      <origin>0.0 0.0 0.0</origin>
+    </mesh>
+    <mesh id="6" type="spherical">
+      <r_grid>0.0 0.4411764705882353 0.8823529411764706 1.3235294117647058 1.7647058823529411 2.2058823529411766 2.6470588235294117 3.0882352941176467 3.5294117647058822 3.9705882352941178 4.411764705882353 4.852941176470588 5.294117647058823 5.735294117647059 6.1764705882352935 6.617647058823529 7.0588235294117645 7.5</r_grid>
+      <theta_grid>0.0 0.39269908169872414 0.7853981633974483 1.1780972450961724 1.5707963267948966 1.9634954084936207 2.356194490192345 2.748893571891069 3.141592653589793</theta_grid>
+      <phi_grid>0.0 0.3490658503988659 0.6981317007977318 1.0471975511965976 1.3962634015954636 1.7453292519943295 2.0943951023931953 2.443460952792061 2.792526803190927 3.141592653589793 3.490658503988659 3.839724354387525 4.1887902047863905 4.537856055185257 4.886921905584122 5.235987755982989 5.585053606381854 5.93411945678072 6.283185307179586</phi_grid>
+      <origin>0.0 0.0 0.0</origin>
+    </mesh>
+    <filter id="1" type="mesh">
+      <bins>1</bins>
+    </filter>
+    <filter id="7" type="meshsurface">
+      <bins>1</bins>
+    </filter>
+    <filter id="2" type="mesh">
+      <bins>2</bins>
+    </filter>
+    <filter id="8" type="meshsurface">
+      <bins>2</bins>
+    </filter>
+    <filter id="3" type="mesh">
+      <bins>3</bins>
+    </filter>
+    <filter id="9" type="meshsurface">
+      <bins>3</bins>
+    </filter>
+    <filter id="4" type="mesh">
+      <bins>4</bins>
+    </filter>
+    <filter id="10" type="meshsurface">
+      <bins>4</bins>
+    </filter>
+    <filter id="5" type="mesh">
+      <bins>5</bins>
+    </filter>
+    <filter id="11" type="meshsurface">
+      <bins>5</bins>
+    </filter>
+    <filter id="6" type="mesh">
+      <bins>6</bins>
+    </filter>
+    <filter id="12" type="meshsurface">
+      <bins>6</bins>
+    </filter>
+    <tally id="1">
+      <filters>1</filters>
+      <scores>total</scores>
+    </tally>
+    <tally id="2">
+      <filters>7</filters>
+      <scores>current</scores>
+    </tally>
+    <tally id="3">
+      <filters>2</filters>
+      <scores>total</scores>
+    </tally>
+    <tally id="4">
+      <filters>8</filters>
+      <scores>current</scores>
+    </tally>
+    <tally id="5">
+      <filters>3</filters>
+      <scores>total</scores>
+    </tally>
+    <tally id="6">
+      <filters>9</filters>
+      <scores>current</scores>
+    </tally>
+    <tally id="7">
+      <filters>4</filters>
+      <scores>total</scores>
+    </tally>
+    <tally id="8">
+      <filters>10</filters>
+      <scores>current</scores>
+    </tally>
+    <tally id="9">
+      <filters>5</filters>
+      <scores>total</scores>
+    </tally>
+    <tally id="10">
+      <filters>11</filters>
+      <scores>current</scores>
+    </tally>
+    <tally id="11">
+      <filters>6</filters>
+      <scores>total</scores>
+    </tally>
+    <tally id="12">
+      <filters>12</filters>
+      <scores>current</scores>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/filter_translations/inputs_true.dat b/tests/regression_tests/filter_translations/inputs_true.dat
index d38bec39f..8ed705413 100644
--- a/tests/regression_tests/filter_translations/inputs_true.dat
+++ b/tests/regression_tests/filter_translations/inputs_true.dat
@@ -1,84 +1,83 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell id="1" material="1" region="1 -2 3 -4 10 -9" universe="1" />
-  <cell id="2" material="2" region="~(1 -2 3 -4) (5 -6 7 -8) 10 -9" universe="1" />
-  <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane" />
-  <surface coeffs="5.0" id="2" name="maximum x" type="x-plane" />
-  <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane" />
-  <surface coeffs="5.0" id="4" name="maximum y" type="y-plane" />
-  <surface boundary="reflective" coeffs="-10.0" id="5" name="minimum x" type="x-plane" />
-  <surface boundary="reflective" coeffs="10.0" id="6" name="maximum x" type="x-plane" />
-  <surface boundary="reflective" coeffs="-10.0" id="7" name="minimum y" type="y-plane" />
-  <surface boundary="reflective" coeffs="10.0" id="8" name="maximum y" type="y-plane" />
-  <surface boundary="vacuum" coeffs="10.0" id="9" type="z-plane" />
-  <surface boundary="vacuum" coeffs="-10.0" id="10" type="z-plane" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-  <material depletable="true" id="1">
-    <density units="g/cm3" value="10.0" />
-    <nuclide ao="1.0" name="U235" />
-  </material>
-  <material id="2">
-    <density units="g/cm3" value="1.0" />
-    <nuclide ao="1.0" name="Zr90" />
-  </material>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>eigenvalue</run_mode>
-  <particles>1000</particles>
-  <batches>5</batches>
-  <inactive>0</inactive>
-</settings>
-<?xml version='1.0' encoding='utf-8'?>
-<tallies>
-  <mesh id="1">
-    <dimension>3 4 5</dimension>
-    <lower_left>-9 -9 -9</lower_left>
-    <upper_right>9 9 9</upper_right>
-  </mesh>
-  <mesh id="2" type="rectilinear">
-    <x_grid>-9.0 0.0 9.0</x_grid>
-    <y_grid>-9.0 -3.0 3.0 9.0</y_grid>
-    <z_grid>-9.0 -4.5 0.0 4.5 9.0</z_grid>
-  </mesh>
-  <mesh id="3">
-    <dimension>3 4 5</dimension>
-    <lower_left>-19 -4 -9</lower_left>
-    <upper_right>-1 14 9</upper_right>
-  </mesh>
-  <mesh id="4" type="rectilinear">
-    <x_grid>-19.0 -10.0 -1.0</x_grid>
-    <y_grid>-4.0 2.0 8.0 14.0</y_grid>
-    <z_grid>-9.0 -4.5 0.0 4.5 9.0</z_grid>
-  </mesh>
-  <filter id="1" type="mesh">
-    <bins>1</bins>
-  </filter>
-  <filter id="2" type="mesh">
-    <bins>2</bins>
-  </filter>
-  <filter id="3" translation="10 -5 0" type="mesh">
-    <bins>3</bins>
-  </filter>
-  <filter id="4" translation="10 -5 0" type="mesh">
-    <bins>4</bins>
-  </filter>
-  <tally id="1">
-    <filters>1</filters>
-    <scores>total</scores>
-  </tally>
-  <tally id="2">
-    <filters>2</filters>
-    <scores>total</scores>
-  </tally>
-  <tally id="3">
-    <filters>3</filters>
-    <scores>total</scores>
-  </tally>
-  <tally id="4">
-    <filters>4</filters>
-    <scores>total</scores>
-  </tally>
-</tallies>
+<model>
+  <materials>
+    <material depletable="true" id="1">
+      <density units="g/cm3" value="10.0" />
+      <nuclide ao="1.0" name="U235" />
+    </material>
+    <material id="2">
+      <density units="g/cm3" value="1.0" />
+      <nuclide ao="1.0" name="Zr90" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="1 -2 3 -4 10 -9" universe="1" />
+    <cell id="2" material="2" region="~(1 -2 3 -4) (5 -6 7 -8) 10 -9" universe="1" />
+    <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane" />
+    <surface coeffs="5.0" id="2" name="maximum x" type="x-plane" />
+    <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane" />
+    <surface coeffs="5.0" id="4" name="maximum y" type="y-plane" />
+    <surface boundary="reflective" coeffs="-10.0" id="5" name="minimum x" type="x-plane" />
+    <surface boundary="reflective" coeffs="10.0" id="6" name="maximum x" type="x-plane" />
+    <surface boundary="reflective" coeffs="-10.0" id="7" name="minimum y" type="y-plane" />
+    <surface boundary="reflective" coeffs="10.0" id="8" name="maximum y" type="y-plane" />
+    <surface boundary="vacuum" coeffs="10.0" id="9" type="z-plane" />
+    <surface boundary="vacuum" coeffs="-10.0" id="10" type="z-plane" />
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>1000</particles>
+    <batches>5</batches>
+    <inactive>0</inactive>
+  </settings>
+  <tallies>
+    <mesh id="1">
+      <dimension>3 4 5</dimension>
+      <lower_left>-9 -9 -9</lower_left>
+      <upper_right>9 9 9</upper_right>
+    </mesh>
+    <mesh id="2" type="rectilinear">
+      <x_grid>-9.0 0.0 9.0</x_grid>
+      <y_grid>-9.0 -3.0 3.0 9.0</y_grid>
+      <z_grid>-9.0 -4.5 0.0 4.5 9.0</z_grid>
+    </mesh>
+    <mesh id="3">
+      <dimension>3 4 5</dimension>
+      <lower_left>-19 -4 -9</lower_left>
+      <upper_right>-1 14 9</upper_right>
+    </mesh>
+    <mesh id="4" type="rectilinear">
+      <x_grid>-19.0 -10.0 -1.0</x_grid>
+      <y_grid>-4.0 2.0 8.0 14.0</y_grid>
+      <z_grid>-9.0 -4.5 0.0 4.5 9.0</z_grid>
+    </mesh>
+    <filter id="1" type="mesh">
+      <bins>1</bins>
+    </filter>
+    <filter id="2" type="mesh">
+      <bins>2</bins>
+    </filter>
+    <filter id="3" translation="10 -5 0" type="mesh">
+      <bins>3</bins>
+    </filter>
+    <filter id="4" translation="10 -5 0" type="mesh">
+      <bins>4</bins>
+    </filter>
+    <tally id="1">
+      <filters>1</filters>
+      <scores>total</scores>
+    </tally>
+    <tally id="2">
+      <filters>2</filters>
+      <scores>total</scores>
+    </tally>
+    <tally id="3">
+      <filters>3</filters>
+      <scores>total</scores>
+    </tally>
+    <tally id="4">
+      <filters>4</filters>
+      <scores>total</scores>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/fixed_source/inputs_true.dat b/tests/regression_tests/fixed_source/inputs_true.dat
index f1aebb3b2..57dcdb724 100644
--- a/tests/regression_tests/fixed_source/inputs_true.dat
+++ b/tests/regression_tests/fixed_source/inputs_true.dat
@@ -1,31 +1,30 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell id="1" material="1" region="-1" universe="1" />
-  <surface boundary="vacuum" coeffs="0.0 0.0 0.0 10.0" id="1" type="sphere" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-  <material depletable="true" id="1">
-    <density units="g/cc" value="7.5" />
-    <nuclide ao="1.0" name="O16" />
-    <nuclide ao="0.0001" name="U238" />
-  </material>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>fixed source</run_mode>
-  <particles>100</particles>
-  <batches>10</batches>
-  <source strength="10.0">
-    <space type="point">
-      <parameters>0.0 0.0 0.0</parameters>
-    </space>
-  </source>
-  <temperature_default>294</temperature_default>
-</settings>
-<?xml version='1.0' encoding='utf-8'?>
-<tallies>
-  <tally id="1">
-    <scores>flux</scores>
-  </tally>
-</tallies>
+<model>
+  <materials>
+    <material depletable="true" id="1">
+      <density units="g/cc" value="7.5" />
+      <nuclide ao="1.0" name="O16" />
+      <nuclide ao="0.0001" name="U238" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="-1" universe="1" />
+    <surface boundary="vacuum" coeffs="0.0 0.0 0.0 10.0" id="1" type="sphere" />
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>100</particles>
+    <batches>10</batches>
+    <source strength="10.0">
+      <space type="point">
+        <parameters>0.0 0.0 0.0</parameters>
+      </space>
+    </source>
+    <temperature_default>294</temperature_default>
+  </settings>
+  <tallies>
+    <tally id="1">
+      <scores>flux</scores>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/iso_in_lab/inputs_true.dat b/tests/regression_tests/iso_in_lab/inputs_true.dat
index 2a302ada6..6dd8578ff 100644
--- a/tests/regression_tests/iso_in_lab/inputs_true.dat
+++ b/tests/regression_tests/iso_in_lab/inputs_true.dat
@@ -1,38 +1,199 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell fill="200" id="1" region="-6 34 -35" universe="0" />
-  <cell fill="201" id="2" region="-6 35 -36" universe="0" />
-  <cell id="3" material="8" region="-7 31 -32" universe="0" />
-  <cell id="4" material="9" region="-5 32 -33" universe="0" />
-  <cell id="5" material="12" region="-5 33 -34" universe="0" />
-  <cell id="6" material="11" region="-5 36 -37" universe="0" />
-  <cell id="7" material="10" region="-5 37 -38" universe="0" />
-  <cell id="8" material="7" region="-7 38 -39" universe="0" />
-  <cell id="9" material="9" region="6 -7 32 -38" universe="0" />
-  <cell id="10" material="5" region="7 -8 31 -39" universe="0" />
-  <cell id="11" material="6" region="5 -6 32 -34" universe="0" />
-  <cell id="12" material="7" region="5 -6 36 -38" universe="0" />
-  <cell id="21" material="1" region="-1" universe="1" />
-  <cell id="22" material="2" region="1 -2" universe="1" />
-  <cell id="23" material="3" region="2" universe="1" />
-  <cell id="24" material="3" region="-3" universe="2" />
-  <cell id="25" material="2" region="3 -4" universe="2" />
-  <cell id="26" material="3" region="4" universe="2" />
-  <cell id="27" material="1" region="-1" universe="3" />
-  <cell id="28" material="2" region="1 -2" universe="3" />
-  <cell id="29" material="4" region="2" universe="3" />
-  <cell id="30" material="4" region="-3" universe="4" />
-  <cell id="31" material="2" region="3 -4" universe="4" />
-  <cell id="32" material="4" region="4" universe="4" />
-  <cell id="50" material="3" region="34 -35" universe="5" />
-  <cell fill="100" id="60" region="34 -35" universe="6" />
-  <cell id="70" material="4" region="35 -36" universe="7" />
-  <cell fill="101" id="80" region="35 -36" universe="8" />
-  <lattice id="100" name="Fuel assembly (lower half)">
-    <pitch>1.26 1.26</pitch>
-    <dimension>17 17</dimension>
-    <lower_left>-10.71 -10.71</lower_left>
-    <universes>
+<model>
+  <materials>
+    <material depletable="true" id="1" name="UOX fuel">
+      <density units="g/cm3" value="10.062" />
+      <nuclide ao="4.9476e-06" name="U234" />
+      <nuclide ao="0.00048218" name="U235" />
+      <nuclide ao="0.021504" name="U238" />
+      <nuclide ao="1.0801e-08" name="Xe135" />
+      <nuclide ao="0.045737" name="O16" />
+      <isotropic>U234 U235 U238 Xe135 O16</isotropic>
+    </material>
+    <material id="2" name="Zircaloy">
+      <density units="g/cm3" value="5.77" />
+      <nuclide ao="0.5145" name="Zr90" />
+      <nuclide ao="0.1122" name="Zr91" />
+      <nuclide ao="0.1715" name="Zr92" />
+      <nuclide ao="0.1738" name="Zr94" />
+      <nuclide ao="0.028" name="Zr96" />
+      <isotropic>Zr90 Zr91 Zr92 Zr94 Zr96</isotropic>
+    </material>
+    <material id="3" name="Cold borated water">
+      <density units="atom/b-cm" value="0.07416" />
+      <nuclide ao="2.0" name="H1" />
+      <nuclide ao="1.0" name="O16" />
+      <nuclide ao="0.000649" name="B10" />
+      <nuclide ao="0.002689" name="B11" />
+      <sab name="c_H_in_H2O" />
+      <isotropic>H1 O16 B10 B11</isotropic>
+    </material>
+    <material id="4" name="Hot borated water">
+      <density units="atom/b-cm" value="0.06614" />
+      <nuclide ao="2.0" name="H1" />
+      <nuclide ao="1.0" name="O16" />
+      <nuclide ao="0.000649" name="B10" />
+      <nuclide ao="0.002689" name="B11" />
+      <sab name="c_H_in_H2O" />
+      <isotropic>H1 O16 B10 B11</isotropic>
+    </material>
+    <material id="5" name="Reactor pressure vessel steel">
+      <density units="g/cm3" value="7.9" />
+      <nuclide name="Fe54" wo="0.05437098" />
+      <nuclide name="Fe56" wo="0.88500663" />
+      <nuclide name="Fe57" wo="0.0208008" />
+      <nuclide name="Fe58" wo="0.00282159" />
+      <nuclide name="Ni58" wo="0.0067198" />
+      <nuclide name="Ni60" wo="0.0026776" />
+      <nuclide name="Mn55" wo="0.01" />
+      <nuclide name="Cr52" wo="0.002092475" />
+      <nuclide name="C0" wo="0.0025" />
+      <nuclide name="Cu63" wo="0.0013696" />
+      <isotropic>Fe54 Fe56 Fe57 Fe58 Ni58 Ni60 Mn55 Cr52 C0 Cu63</isotropic>
+    </material>
+    <material id="6" name="Lower radial reflector">
+      <density units="g/cm3" value="4.32" />
+      <nuclide name="H1" wo="0.0095661" />
+      <nuclide name="O16" wo="0.0759107" />
+      <nuclide name="B10" wo="3.08409e-05" />
+      <nuclide name="B11" wo="0.000140499" />
+      <nuclide name="Fe54" wo="0.035620772088" />
+      <nuclide name="Fe56" wo="0.579805982228" />
+      <nuclide name="Fe57" wo="0.01362750048" />
+      <nuclide name="Fe58" wo="0.001848545204" />
+      <nuclide name="Ni58" wo="0.055298376566" />
+      <nuclide name="Mn55" wo="0.018287" />
+      <nuclide name="Cr52" wo="0.145407678031" />
+      <sab name="c_H_in_H2O" />
+      <isotropic>H1 O16 B10 B11 Fe54 Fe56 Fe57 Fe58 Ni58 Mn55 Cr52</isotropic>
+    </material>
+    <material id="7" name="Upper radial reflector / Top plate region">
+      <density units="g/cm3" value="4.28" />
+      <nuclide name="H1" wo="0.0086117" />
+      <nuclide name="O16" wo="0.0683369" />
+      <nuclide name="B10" wo="2.77638e-05" />
+      <nuclide name="B11" wo="0.000126481" />
+      <nuclide name="Fe54" wo="0.035953677186" />
+      <nuclide name="Fe56" wo="0.585224740891" />
+      <nuclide name="Fe57" wo="0.01375486056" />
+      <nuclide name="Fe58" wo="0.001865821363" />
+      <nuclide name="Ni58" wo="0.055815129186" />
+      <nuclide name="Mn55" wo="0.0184579" />
+      <nuclide name="Cr52" wo="0.146766614995" />
+      <sab name="c_H_in_H2O" />
+      <isotropic>H1 O16 B10 B11 Fe54 Fe56 Fe57 Fe58 Ni58 Mn55 Cr52</isotropic>
+    </material>
+    <material id="8" name="Bottom plate region">
+      <density units="g/cm3" value="7.184" />
+      <nuclide name="H1" wo="0.0011505" />
+      <nuclide name="O16" wo="0.0091296" />
+      <nuclide name="B10" wo="3.70915e-06" />
+      <nuclide name="B11" wo="1.68974e-05" />
+      <nuclide name="Fe54" wo="0.03855611055" />
+      <nuclide name="Fe56" wo="0.627585036425" />
+      <nuclide name="Fe57" wo="0.014750478" />
+      <nuclide name="Fe58" wo="0.002000875025" />
+      <nuclide name="Ni58" wo="0.059855207342" />
+      <nuclide name="Mn55" wo="0.019794" />
+      <nuclide name="Cr52" wo="0.157390026871" />
+      <sab name="c_H_in_H2O" />
+      <isotropic>H1 O16 B10 B11 Fe54 Fe56 Fe57 Fe58 Ni58 Mn55 Cr52</isotropic>
+    </material>
+    <material id="9" name="Bottom nozzle region">
+      <density units="g/cm3" value="2.53" />
+      <nuclide name="H1" wo="0.0245014" />
+      <nuclide name="O16" wo="0.1944274" />
+      <nuclide name="B10" wo="7.89917e-05" />
+      <nuclide name="B11" wo="0.000359854" />
+      <nuclide name="Fe54" wo="0.030411411144" />
+      <nuclide name="Fe56" wo="0.495012237964" />
+      <nuclide name="Fe57" wo="0.01163454624" />
+      <nuclide name="Fe58" wo="0.001578204652" />
+      <nuclide name="Ni58" wo="0.047211231662" />
+      <nuclide name="Mn55" wo="0.0156126" />
+      <nuclide name="Cr52" wo="0.124142524198" />
+      <sab name="c_H_in_H2O" />
+      <isotropic>H1 O16 B10 B11 Fe54 Fe56 Fe57 Fe58 Ni58 Mn55 Cr52</isotropic>
+    </material>
+    <material id="10" name="Top nozzle region">
+      <density units="g/cm3" value="1.746" />
+      <nuclide name="H1" wo="0.035887" />
+      <nuclide name="O16" wo="0.2847761" />
+      <nuclide name="B10" wo="0.000115699" />
+      <nuclide name="B11" wo="0.000527075" />
+      <nuclide name="Fe54" wo="0.02644016154" />
+      <nuclide name="Fe56" wo="0.43037146399" />
+      <nuclide name="Fe57" wo="0.0101152584" />
+      <nuclide name="Fe58" wo="0.00137211607" />
+      <nuclide name="Ni58" wo="0.04104621835" />
+      <nuclide name="Mn55" wo="0.0135739" />
+      <nuclide name="Cr52" wo="0.107931450781" />
+      <sab name="c_H_in_H2O" />
+      <isotropic>H1 O16 B10 B11 Fe54 Fe56 Fe57 Fe58 Ni58 Mn55 Cr52</isotropic>
+    </material>
+    <material id="11" name="Top of fuel assemblies">
+      <density units="g/cm3" value="3.044" />
+      <nuclide name="H1" wo="0.0162913" />
+      <nuclide name="O16" wo="0.1292776" />
+      <nuclide name="B10" wo="5.25228e-05" />
+      <nuclide name="B11" wo="0.000239272" />
+      <nuclide name="Zr90" wo="0.43313403903" />
+      <nuclide name="Zr91" wo="0.09549277374" />
+      <nuclide name="Zr92" wo="0.14759527104" />
+      <nuclide name="Zr94" wo="0.15280552077" />
+      <nuclide name="Zr96" wo="0.02511169542" />
+      <sab name="c_H_in_H2O" />
+      <isotropic>H1 O16 B10 B11 Zr90 Zr91 Zr92 Zr94 Zr96</isotropic>
+    </material>
+    <material id="12" name="Bottom of fuel assemblies">
+      <density units="g/cm3" value="1.762" />
+      <nuclide name="H1" wo="0.0292856" />
+      <nuclide name="O16" wo="0.2323919" />
+      <nuclide name="B10" wo="9.44159e-05" />
+      <nuclide name="B11" wo="0.00043012" />
+      <nuclide name="Zr90" wo="0.3741373658" />
+      <nuclide name="Zr91" wo="0.0824858164" />
+      <nuclide name="Zr92" wo="0.1274914944" />
+      <nuclide name="Zr94" wo="0.1319920622" />
+      <nuclide name="Zr96" wo="0.0216912612" />
+      <sab name="c_H_in_H2O" />
+      <isotropic>H1 O16 B10 B11 Zr90 Zr91 Zr92 Zr94 Zr96</isotropic>
+    </material>
+  </materials>
+  <geometry>
+    <cell fill="200" id="1" region="-6 34 -35" universe="0" />
+    <cell fill="201" id="2" region="-6 35 -36" universe="0" />
+    <cell id="3" material="8" region="-7 31 -32" universe="0" />
+    <cell id="4" material="9" region="-5 32 -33" universe="0" />
+    <cell id="5" material="12" region="-5 33 -34" universe="0" />
+    <cell id="6" material="11" region="-5 36 -37" universe="0" />
+    <cell id="7" material="10" region="-5 37 -38" universe="0" />
+    <cell id="8" material="7" region="-7 38 -39" universe="0" />
+    <cell id="9" material="9" region="6 -7 32 -38" universe="0" />
+    <cell id="10" material="5" region="7 -8 31 -39" universe="0" />
+    <cell id="11" material="6" region="5 -6 32 -34" universe="0" />
+    <cell id="12" material="7" region="5 -6 36 -38" universe="0" />
+    <cell id="21" material="1" region="-1" universe="1" />
+    <cell id="22" material="2" region="1 -2" universe="1" />
+    <cell id="23" material="3" region="2" universe="1" />
+    <cell id="24" material="3" region="-3" universe="2" />
+    <cell id="25" material="2" region="3 -4" universe="2" />
+    <cell id="26" material="3" region="4" universe="2" />
+    <cell id="27" material="1" region="-1" universe="3" />
+    <cell id="28" material="2" region="1 -2" universe="3" />
+    <cell id="29" material="4" region="2" universe="3" />
+    <cell id="30" material="4" region="-3" universe="4" />
+    <cell id="31" material="2" region="3 -4" universe="4" />
+    <cell id="32" material="4" region="4" universe="4" />
+    <cell id="50" material="3" region="34 -35" universe="5" />
+    <cell fill="100" id="60" region="34 -35" universe="6" />
+    <cell id="70" material="4" region="35 -36" universe="7" />
+    <cell fill="101" id="80" region="35 -36" universe="8" />
+    <lattice id="100" name="Fuel assembly (lower half)">
+      <pitch>1.26 1.26</pitch>
+      <dimension>17 17</dimension>
+      <lower_left>-10.71 -10.71</lower_left>
+      <universes>
 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 
 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 
 1 1 1 1 1 2 1 1 2 1 1 2 1 1 1 1 1 
@@ -50,12 +211,12 @@
 1 1 1 1 1 2 1 1 2 1 1 2 1 1 1 1 1 
 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 
 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 </universes>
-  </lattice>
-  <lattice id="101" name="Fuel assembly (upper half)">
-    <pitch>1.26 1.26</pitch>
-    <dimension>17 17</dimension>
-    <lower_left>-10.71 -10.71</lower_left>
-    <universes>
+    </lattice>
+    <lattice id="101" name="Fuel assembly (upper half)">
+      <pitch>1.26 1.26</pitch>
+      <dimension>17 17</dimension>
+      <lower_left>-10.71 -10.71</lower_left>
+      <universes>
 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
 3 3 3 3 3 4 3 3 4 3 3 4 3 3 3 3 3 
@@ -73,12 +234,12 @@
 3 3 3 3 3 4 3 3 4 3 3 4 3 3 3 3 3 
 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 </universes>
-  </lattice>
-  <lattice id="200" name="Core lattice (lower half)">
-    <pitch>21.42 21.42</pitch>
-    <dimension>21 21</dimension>
-    <lower_left>-224.91 -224.91</lower_left>
-    <universes>
+    </lattice>
+    <lattice id="200" name="Core lattice (lower half)">
+      <pitch>21.42 21.42</pitch>
+      <dimension>21 21</dimension>
+      <lower_left>-224.91 -224.91</lower_left>
+      <universes>
 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 
 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 
 5 5 5 5 5 5 5 6 6 6 6 6 6 6 5 5 5 5 5 5 5 
@@ -100,12 +261,12 @@
 5 5 5 5 5 5 5 6 6 6 6 6 6 6 5 5 5 5 5 5 5 
 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 
 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 </universes>
-  </lattice>
-  <lattice id="201" name="Core lattice (lower half)">
-    <pitch>21.42 21.42</pitch>
-    <dimension>21 21</dimension>
-    <lower_left>-224.91 -224.91</lower_left>
-    <universes>
+    </lattice>
+    <lattice id="201" name="Core lattice (lower half)">
+      <pitch>21.42 21.42</pitch>
+      <dimension>21 21</dimension>
+      <lower_left>-224.91 -224.91</lower_left>
+      <universes>
 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 
 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 
 7 7 7 7 7 7 7 8 8 8 8 8 8 8 7 7 7 7 7 7 7 
@@ -127,195 +288,34 @@
 7 7 7 7 7 7 7 8 8 8 8 8 8 8 7 7 7 7 7 7 7 
 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 
 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 </universes>
-  </lattice>
-  <surface coeffs="0.0 0.0 0.41" id="1" type="z-cylinder" />
-  <surface coeffs="0.0 0.0 0.475" id="2" type="z-cylinder" />
-  <surface coeffs="0.0 0.0 0.56" id="3" type="z-cylinder" />
-  <surface coeffs="0.0 0.0 0.62" id="4" type="z-cylinder" />
-  <surface coeffs="0.0 0.0 187.6" id="5" type="z-cylinder" />
-  <surface coeffs="0.0 0.0 209.0" id="6" type="z-cylinder" />
-  <surface coeffs="0.0 0.0 229.0" id="7" type="z-cylinder" />
-  <surface boundary="vacuum" coeffs="0.0 0.0 249.0" id="8" type="z-cylinder" />
-  <surface boundary="vacuum" coeffs="-229.0" id="31" type="z-plane" />
-  <surface coeffs="-199.0" id="32" type="z-plane" />
-  <surface coeffs="-193.0" id="33" type="z-plane" />
-  <surface coeffs="-183.0" id="34" type="z-plane" />
-  <surface coeffs="0.0" id="35" type="z-plane" />
-  <surface coeffs="183.0" id="36" type="z-plane" />
-  <surface coeffs="203.0" id="37" type="z-plane" />
-  <surface coeffs="215.0" id="38" type="z-plane" />
-  <surface boundary="vacuum" coeffs="223.0" id="39" type="z-plane" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-  <material depletable="true" id="1" name="UOX fuel">
-    <density units="g/cm3" value="10.062" />
-    <nuclide ao="4.9476e-06" name="U234" />
-    <nuclide ao="0.00048218" name="U235" />
-    <nuclide ao="0.021504" name="U238" />
-    <nuclide ao="1.0801e-08" name="Xe135" />
-    <nuclide ao="0.045737" name="O16" />
-    <isotropic>U234 U235 U238 Xe135 O16</isotropic>
-  </material>
-  <material id="2" name="Zircaloy">
-    <density units="g/cm3" value="5.77" />
-    <nuclide ao="0.5145" name="Zr90" />
-    <nuclide ao="0.1122" name="Zr91" />
-    <nuclide ao="0.1715" name="Zr92" />
-    <nuclide ao="0.1738" name="Zr94" />
-    <nuclide ao="0.028" name="Zr96" />
-    <isotropic>Zr90 Zr91 Zr92 Zr94 Zr96</isotropic>
-  </material>
-  <material id="3" name="Cold borated water">
-    <density units="atom/b-cm" value="0.07416" />
-    <nuclide ao="2.0" name="H1" />
-    <nuclide ao="1.0" name="O16" />
-    <nuclide ao="0.000649" name="B10" />
-    <nuclide ao="0.002689" name="B11" />
-    <sab name="c_H_in_H2O" />
-    <isotropic>H1 O16 B10 B11</isotropic>
-  </material>
-  <material id="4" name="Hot borated water">
-    <density units="atom/b-cm" value="0.06614" />
-    <nuclide ao="2.0" name="H1" />
-    <nuclide ao="1.0" name="O16" />
-    <nuclide ao="0.000649" name="B10" />
-    <nuclide ao="0.002689" name="B11" />
-    <sab name="c_H_in_H2O" />
-    <isotropic>H1 O16 B10 B11</isotropic>
-  </material>
-  <material id="5" name="Reactor pressure vessel steel">
-    <density units="g/cm3" value="7.9" />
-    <nuclide name="Fe54" wo="0.05437098" />
-    <nuclide name="Fe56" wo="0.88500663" />
-    <nuclide name="Fe57" wo="0.0208008" />
-    <nuclide name="Fe58" wo="0.00282159" />
-    <nuclide name="Ni58" wo="0.0067198" />
-    <nuclide name="Ni60" wo="0.0026776" />
-    <nuclide name="Mn55" wo="0.01" />
-    <nuclide name="Cr52" wo="0.002092475" />
-    <nuclide name="C0" wo="0.0025" />
-    <nuclide name="Cu63" wo="0.0013696" />
-    <isotropic>Fe54 Fe56 Fe57 Fe58 Ni58 Ni60 Mn55 Cr52 C0 Cu63</isotropic>
-  </material>
-  <material id="6" name="Lower radial reflector">
-    <density units="g/cm3" value="4.32" />
-    <nuclide name="H1" wo="0.0095661" />
-    <nuclide name="O16" wo="0.0759107" />
-    <nuclide name="B10" wo="3.08409e-05" />
-    <nuclide name="B11" wo="0.000140499" />
-    <nuclide name="Fe54" wo="0.035620772088" />
-    <nuclide name="Fe56" wo="0.579805982228" />
-    <nuclide name="Fe57" wo="0.01362750048" />
-    <nuclide name="Fe58" wo="0.001848545204" />
-    <nuclide name="Ni58" wo="0.055298376566" />
-    <nuclide name="Mn55" wo="0.018287" />
-    <nuclide name="Cr52" wo="0.145407678031" />
-    <sab name="c_H_in_H2O" />
-    <isotropic>H1 O16 B10 B11 Fe54 Fe56 Fe57 Fe58 Ni58 Mn55 Cr52</isotropic>
-  </material>
-  <material id="7" name="Upper radial reflector / Top plate region">
-    <density units="g/cm3" value="4.28" />
-    <nuclide name="H1" wo="0.0086117" />
-    <nuclide name="O16" wo="0.0683369" />
-    <nuclide name="B10" wo="2.77638e-05" />
-    <nuclide name="B11" wo="0.000126481" />
-    <nuclide name="Fe54" wo="0.035953677186" />
-    <nuclide name="Fe56" wo="0.585224740891" />
-    <nuclide name="Fe57" wo="0.01375486056" />
-    <nuclide name="Fe58" wo="0.001865821363" />
-    <nuclide name="Ni58" wo="0.055815129186" />
-    <nuclide name="Mn55" wo="0.0184579" />
-    <nuclide name="Cr52" wo="0.146766614995" />
-    <sab name="c_H_in_H2O" />
-    <isotropic>H1 O16 B10 B11 Fe54 Fe56 Fe57 Fe58 Ni58 Mn55 Cr52</isotropic>
-  </material>
-  <material id="8" name="Bottom plate region">
-    <density units="g/cm3" value="7.184" />
-    <nuclide name="H1" wo="0.0011505" />
-    <nuclide name="O16" wo="0.0091296" />
-    <nuclide name="B10" wo="3.70915e-06" />
-    <nuclide name="B11" wo="1.68974e-05" />
-    <nuclide name="Fe54" wo="0.03855611055" />
-    <nuclide name="Fe56" wo="0.627585036425" />
-    <nuclide name="Fe57" wo="0.014750478" />
-    <nuclide name="Fe58" wo="0.002000875025" />
-    <nuclide name="Ni58" wo="0.059855207342" />
-    <nuclide name="Mn55" wo="0.019794" />
-    <nuclide name="Cr52" wo="0.157390026871" />
-    <sab name="c_H_in_H2O" />
-    <isotropic>H1 O16 B10 B11 Fe54 Fe56 Fe57 Fe58 Ni58 Mn55 Cr52</isotropic>
-  </material>
-  <material id="9" name="Bottom nozzle region">
-    <density units="g/cm3" value="2.53" />
-    <nuclide name="H1" wo="0.0245014" />
-    <nuclide name="O16" wo="0.1944274" />
-    <nuclide name="B10" wo="7.89917e-05" />
-    <nuclide name="B11" wo="0.000359854" />
-    <nuclide name="Fe54" wo="0.030411411144" />
-    <nuclide name="Fe56" wo="0.495012237964" />
-    <nuclide name="Fe57" wo="0.01163454624" />
-    <nuclide name="Fe58" wo="0.001578204652" />
-    <nuclide name="Ni58" wo="0.047211231662" />
-    <nuclide name="Mn55" wo="0.0156126" />
-    <nuclide name="Cr52" wo="0.124142524198" />
-    <sab name="c_H_in_H2O" />
-    <isotropic>H1 O16 B10 B11 Fe54 Fe56 Fe57 Fe58 Ni58 Mn55 Cr52</isotropic>
-  </material>
-  <material id="10" name="Top nozzle region">
-    <density units="g/cm3" value="1.746" />
-    <nuclide name="H1" wo="0.035887" />
-    <nuclide name="O16" wo="0.2847761" />
-    <nuclide name="B10" wo="0.000115699" />
-    <nuclide name="B11" wo="0.000527075" />
-    <nuclide name="Fe54" wo="0.02644016154" />
-    <nuclide name="Fe56" wo="0.43037146399" />
-    <nuclide name="Fe57" wo="0.0101152584" />
-    <nuclide name="Fe58" wo="0.00137211607" />
-    <nuclide name="Ni58" wo="0.04104621835" />
-    <nuclide name="Mn55" wo="0.0135739" />
-    <nuclide name="Cr52" wo="0.107931450781" />
-    <sab name="c_H_in_H2O" />
-    <isotropic>H1 O16 B10 B11 Fe54 Fe56 Fe57 Fe58 Ni58 Mn55 Cr52</isotropic>
-  </material>
-  <material id="11" name="Top of fuel assemblies">
-    <density units="g/cm3" value="3.044" />
-    <nuclide name="H1" wo="0.0162913" />
-    <nuclide name="O16" wo="0.1292776" />
-    <nuclide name="B10" wo="5.25228e-05" />
-    <nuclide name="B11" wo="0.000239272" />
-    <nuclide name="Zr90" wo="0.43313403903" />
-    <nuclide name="Zr91" wo="0.09549277374" />
-    <nuclide name="Zr92" wo="0.14759527104" />
-    <nuclide name="Zr94" wo="0.15280552077" />
-    <nuclide name="Zr96" wo="0.02511169542" />
-    <sab name="c_H_in_H2O" />
-    <isotropic>H1 O16 B10 B11 Zr90 Zr91 Zr92 Zr94 Zr96</isotropic>
-  </material>
-  <material id="12" name="Bottom of fuel assemblies">
-    <density units="g/cm3" value="1.762" />
-    <nuclide name="H1" wo="0.0292856" />
-    <nuclide name="O16" wo="0.2323919" />
-    <nuclide name="B10" wo="9.44159e-05" />
-    <nuclide name="B11" wo="0.00043012" />
-    <nuclide name="Zr90" wo="0.3741373658" />
-    <nuclide name="Zr91" wo="0.0824858164" />
-    <nuclide name="Zr92" wo="0.1274914944" />
-    <nuclide name="Zr94" wo="0.1319920622" />
-    <nuclide name="Zr96" wo="0.0216912612" />
-    <sab name="c_H_in_H2O" />
-    <isotropic>H1 O16 B10 B11 Zr90 Zr91 Zr92 Zr94 Zr96</isotropic>
-  </material>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>eigenvalue</run_mode>
-  <particles>100</particles>
-  <batches>10</batches>
-  <inactive>5</inactive>
-  <source strength="1.0">
-    <space type="box">
-      <parameters>-160 -160 -183 160 160 183</parameters>
-    </space>
-  </source>
-</settings>
+    </lattice>
+    <surface coeffs="0.0 0.0 0.41" id="1" type="z-cylinder" />
+    <surface coeffs="0.0 0.0 0.475" id="2" type="z-cylinder" />
+    <surface coeffs="0.0 0.0 0.56" id="3" type="z-cylinder" />
+    <surface coeffs="0.0 0.0 0.62" id="4" type="z-cylinder" />
+    <surface coeffs="0.0 0.0 187.6" id="5" type="z-cylinder" />
+    <surface coeffs="0.0 0.0 209.0" id="6" type="z-cylinder" />
+    <surface coeffs="0.0 0.0 229.0" id="7" type="z-cylinder" />
+    <surface boundary="vacuum" coeffs="0.0 0.0 249.0" id="8" type="z-cylinder" />
+    <surface boundary="vacuum" coeffs="-229.0" id="31" type="z-plane" />
+    <surface coeffs="-199.0" id="32" type="z-plane" />
+    <surface coeffs="-193.0" id="33" type="z-plane" />
+    <surface coeffs="-183.0" id="34" type="z-plane" />
+    <surface coeffs="0.0" id="35" type="z-plane" />
+    <surface coeffs="183.0" id="36" type="z-plane" />
+    <surface coeffs="203.0" id="37" type="z-plane" />
+    <surface coeffs="215.0" id="38" type="z-plane" />
+    <surface boundary="vacuum" coeffs="223.0" id="39" type="z-plane" />
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>10</batches>
+    <inactive>5</inactive>
+    <source strength="1.0">
+      <space type="box">
+        <parameters>-160 -160 -183 160 160 183</parameters>
+      </space>
+    </source>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/lattice_hex_coincident/inputs_true.dat b/tests/regression_tests/lattice_hex_coincident/inputs_true.dat
index 0388a4f55..639235726 100644
--- a/tests/regression_tests/lattice_hex_coincident/inputs_true.dat
+++ b/tests/regression_tests/lattice_hex_coincident/inputs_true.dat
@@ -1,81 +1,81 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell id="13" material="13" region="-9 10 -11" universe="9" />
-  <cell id="14" material="14" region="9" universe="9" />
-  <cell id="15" material="16" name="coolant" region="-12 10 -11" universe="10" />
-  <cell id="16" material="17" name="zirconium_shell" region="12 -13 10 -11" universe="10" />
-  <cell id="17" material="15" name="lead_shell" region="13 -14 10 -11" universe="10" />
-  <cell id="18" material="14" name="matrix coolant surround" region="14 10 -11" universe="10" />
-  <cell id="19" material="14" universe="11" />
-  <cell fill="12" id="20" name="container cell" region="-15 16 -17 18 19 -20 10 -11" universe="13" />
-  <hex_lattice id="12" n_rings="2" name="regular fuel assembly">
-    <pitch>1.4</pitch>
-    <outer>11</outer>
-    <center>0.0 0.0</center>
-    <universes>
-  10
-10  10
-  9 
-10  10
-  10</universes>
-  </hex_lattice>
-  <surface coeffs="0.0 0.0 0.7" id="9" type="z-cylinder" />
-  <surface boundary="reflective" coeffs="0.0" id="10" type="z-plane" />
-  <surface boundary="reflective" coeffs="10.0" id="11" type="z-plane" />
-  <surface coeffs="0.0 0.0 0.293" id="12" type="z-cylinder" />
-  <surface coeffs="0.0 0.0 0.35" id="13" type="z-cylinder" />
-  <surface coeffs="0.0 0.0 0.352" id="14" type="z-cylinder" />
-  <surface boundary="reflective" coeffs="1.4" id="15" type="y-plane" />
-  <surface boundary="reflective" coeffs="-1.4" id="16" type="y-plane" />
-  <surface boundary="reflective" coeffs="1.7320508075688772 1.0 0.0 2.8" id="17" type="plane" />
-  <surface boundary="reflective" coeffs="-1.7320508075688772 1.0 0.0 -2.8" id="18" type="plane" />
-  <surface boundary="reflective" coeffs="1.7320508075688772 1.0 0.0 -2.8" id="19" type="plane" />
-  <surface boundary="reflective" coeffs="-1.7320508075688772 1.0 0.0 2.8" id="20" type="plane" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-  <material depletable="true" id="13">
-    <density units="sum" />
-    <nuclide ao="0.0049817" name="U235" />
-  </material>
-  <material id="14">
-    <density units="atom/b-cm" value="0.017742" />
-    <nuclide ao="1.0" name="C0" />
-    <sab name="c_Graphite" />
-  </material>
-  <material id="15" name="Lead">
-    <density units="g/cm3" value="10.32" />
-    <nuclide ao="0.014" name="Pb204" />
-    <nuclide ao="0.241" name="Pb206" />
-    <nuclide ao="0.221" name="Pb207" />
-    <nuclide ao="0.524" name="Pb208" />
-  </material>
-  <material id="16">
-    <density units="atom/b-cm" value="0.00054464" />
-    <nuclide ao="1.0" name="He4" />
-  </material>
-  <material id="17" name="Zirc4">
-    <density units="sum" />
-    <nuclide ao="0.02217" name="Zr90" />
-    <nuclide ao="0.004781" name="Zr91" />
-    <nuclide ao="0.007228" name="Zr92" />
-    <nuclide ao="0.007169" name="Zr94" />
-    <nuclide ao="0.001131" name="Zr96" />
-  </material>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>eigenvalue</run_mode>
-  <particles>1000</particles>
-  <batches>5</batches>
-  <inactive>2</inactive>
-  <source strength="1.0">
-    <space type="box">
-      <parameters>-0.9899494936611666 -0.9899494936611666 0.0 0.9899494936611666 0.9899494936611666 10.0</parameters>
-    </space>
-  </source>
-  <output>
-    <summary>false</summary>
-  </output>
-  <seed>22</seed>
-</settings>
+<model>
+  <materials>
+    <material depletable="true" id="1">
+      <density units="sum" />
+      <nuclide ao="0.0049817" name="U235" />
+    </material>
+    <material id="2">
+      <density units="atom/b-cm" value="0.017742" />
+      <nuclide ao="1.0" name="C0" />
+      <sab name="c_Graphite" />
+    </material>
+    <material id="3" name="Lead">
+      <density units="g/cm3" value="10.32" />
+      <nuclide ao="0.014" name="Pb204" />
+      <nuclide ao="0.241" name="Pb206" />
+      <nuclide ao="0.221" name="Pb207" />
+      <nuclide ao="0.524" name="Pb208" />
+    </material>
+    <material id="4">
+      <density units="atom/b-cm" value="0.00054464" />
+      <nuclide ao="1.0" name="He4" />
+    </material>
+    <material id="5" name="Zirc4">
+      <density units="sum" />
+      <nuclide ao="0.02217" name="Zr90" />
+      <nuclide ao="0.004781" name="Zr91" />
+      <nuclide ao="0.007228" name="Zr92" />
+      <nuclide ao="0.007169" name="Zr94" />
+      <nuclide ao="0.001131" name="Zr96" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="-1 2 -3" universe="1" />
+    <cell id="2" material="2" region="1" universe="1" />
+    <cell id="3" material="4" name="coolant" region="-4 2 -3" universe="2" />
+    <cell id="4" material="5" name="zirconium_shell" region="4 -5 2 -3" universe="2" />
+    <cell id="5" material="3" name="lead_shell" region="5 -6 2 -3" universe="2" />
+    <cell id="6" material="2" name="matrix coolant surround" region="6 2 -3" universe="2" />
+    <cell id="7" material="2" universe="3" />
+    <cell fill="4" id="8" name="container cell" region="-7 8 -9 10 11 -12 2 -3" universe="5" />
+    <hex_lattice id="4" n_rings="2" name="regular fuel assembly">
+      <pitch>1.4</pitch>
+      <outer>3</outer>
+      <center>0.0 0.0</center>
+      <universes>
+ 2
+2 2
+ 1
+2 2
+ 2</universes>
+    </hex_lattice>
+    <surface coeffs="0.0 0.0 0.7" id="1" type="z-cylinder" />
+    <surface boundary="reflective" coeffs="0.0" id="2" type="z-plane" />
+    <surface boundary="reflective" coeffs="10.0" id="3" type="z-plane" />
+    <surface coeffs="0.0 0.0 0.293" id="4" type="z-cylinder" />
+    <surface coeffs="0.0 0.0 0.35" id="5" type="z-cylinder" />
+    <surface coeffs="0.0 0.0 0.352" id="6" type="z-cylinder" />
+    <surface boundary="reflective" coeffs="1.4" id="7" type="y-plane" />
+    <surface boundary="reflective" coeffs="-1.4" id="8" type="y-plane" />
+    <surface boundary="reflective" coeffs="1.7320508075688772 1.0 0.0 2.8" id="9" type="plane" />
+    <surface boundary="reflective" coeffs="-1.7320508075688772 1.0 0.0 -2.8" id="10" type="plane" />
+    <surface boundary="reflective" coeffs="1.7320508075688772 1.0 0.0 -2.8" id="11" type="plane" />
+    <surface boundary="reflective" coeffs="-1.7320508075688772 1.0 0.0 2.8" id="12" type="plane" />
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>1000</particles>
+    <batches>5</batches>
+    <inactive>2</inactive>
+    <source strength="1.0">
+      <space type="box">
+        <parameters>-0.9899494936611666 -0.9899494936611666 0.0 0.9899494936611666 0.9899494936611666 10.0</parameters>
+      </space>
+    </source>
+    <output>
+      <summary>false</summary>
+    </output>
+    <seed>22</seed>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/lattice_hex_coincident/test.py b/tests/regression_tests/lattice_hex_coincident/test.py
index 30bc470f2..fae7f939b 100644
--- a/tests/regression_tests/lattice_hex_coincident/test.py
+++ b/tests/regression_tests/lattice_hex_coincident/test.py
@@ -6,7 +6,8 @@ from tests.testing_harness import PyAPITestHarness
 
 
 class HexLatticeCoincidentTestHarness(PyAPITestHarness):
-    def _build_inputs(self):
+    def __init__(self, *args, **kwargs):
+        super().__init__(*args, **kwargs)
         materials = openmc.Materials()
 
         fuel_mat = openmc.Material()
@@ -40,7 +41,7 @@ class HexLatticeCoincidentTestHarness(PyAPITestHarness):
         zirc.add_nuclide('Zr96', 1.131E-03, 'ao')
         materials.append(zirc)
 
-        materials.export_to_xml()
+        self._model.materials = materials
 
         ### Geometry ###
         pin_rad = 0.7 # cm
@@ -124,8 +125,7 @@ class HexLatticeCoincidentTestHarness(PyAPITestHarness):
 
         root_univ = openmc.Universe(name="root universe", cells=[pincell_only_cell,])
 
-        geom = openmc.Geometry(root_univ)
-        geom.export_to_xml()
+        self._model.geometry = openmc.Geometry(root_univ)
 
         ### Settings ###
 
@@ -144,8 +144,9 @@ class HexLatticeCoincidentTestHarness(PyAPITestHarness):
         settings.inactive = 2
         settings.particles = 1000
         settings.seed = 22
-        settings.export_to_xml()
+        self._model.settings = settings
 
 def test_lattice_hex_coincident_surf():
-    harness = HexLatticeCoincidentTestHarness('statepoint.5.h5')
+    harness = HexLatticeCoincidentTestHarness('statepoint.5.h5',
+                                              model=openmc.Model())
     harness.main()
diff --git a/tests/regression_tests/lattice_hex_x/inputs_true.dat b/tests/regression_tests/lattice_hex_x/inputs_true.dat
index b528a97b7..2cff10f75 100644
--- a/tests/regression_tests/lattice_hex_x/inputs_true.dat
+++ b/tests/regression_tests/lattice_hex_x/inputs_true.dat
@@ -1,23 +1,53 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell id="1" material="1" region="-1" universe="1" />
-  <cell id="2" material="4" region="-2 1" universe="1" />
-  <cell id="3" material="2" region="2" universe="1" />
-  <cell id="4" material="2" region="-3" universe="2" />
-  <cell id="5" material="4" region="-4 3" universe="2" />
-  <cell id="6" material="2" region="4" universe="2" />
-  <cell id="7" material="3" region="-5" universe="3" />
-  <cell id="8" material="4" region="-6 5" universe="3" />
-  <cell id="9" material="2" region="-7 6" universe="3" />
-  <cell id="10" material="4" region="-8 7" universe="3" />
-  <cell id="11" material="2" region="8" universe="3" />
-  <cell id="12" material="2" universe="4" />
-  <cell fill="9" id="13" name="container assembly cell" region="-11 12 -13 14 15 -16 9 -10" universe="5" />
-  <hex_lattice id="9" n_axial="2" n_rings="11" name="regular fuel assembly" orientation="x">
-    <pitch>1.235 5.0</pitch>
-    <outer>4</outer>
-    <center>0.0 0.0 5.0</center>
-    <universes>
+<model>
+  <materials>
+    <material depletable="true" id="1" name="UO2">
+      <density units="sum" />
+      <nuclide ao="0.0008737" name="U235" />
+      <nuclide ao="0.018744" name="U238" />
+      <nuclide ao="0.039235" name="O16" />
+    </material>
+    <material id="2" name="borated H2O">
+      <density units="sum" />
+      <nuclide ao="0.06694" name="H1" />
+      <nuclide ao="0.03347" name="O16" />
+      <nuclide ao="6.6262e-06" name="B10" />
+      <nuclide ao="2.6839e-05" name="B11" />
+    </material>
+    <material id="3" name="pellet B4C">
+      <density units="sum" />
+      <nuclide ao="0.01966" name="C0" />
+      <nuclide ao="4.7344e-06" name="B11" />
+      <nuclide ao="1.9177e-05" name="B10" />
+    </material>
+    <material id="4" name="Zirc4">
+      <density units="sum" />
+      <nuclide ao="0.021763349999999997" name="Zr90" />
+      <nuclide ao="0.00474606" name="Zr91" />
+      <nuclide ao="0.00725445" name="Zr92" />
+      <nuclide ao="0.00735174" name="Zr94" />
+      <nuclide ao="0.0011844" name="Zr96" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="-1" universe="1" />
+    <cell id="2" material="4" region="-2 1" universe="1" />
+    <cell id="3" material="2" region="2" universe="1" />
+    <cell id="4" material="2" region="-3" universe="2" />
+    <cell id="5" material="4" region="-4 3" universe="2" />
+    <cell id="6" material="2" region="4" universe="2" />
+    <cell id="7" material="3" region="-5" universe="3" />
+    <cell id="8" material="4" region="-6 5" universe="3" />
+    <cell id="9" material="2" region="-7 6" universe="3" />
+    <cell id="10" material="4" region="-8 7" universe="3" />
+    <cell id="11" material="2" region="8" universe="3" />
+    <cell id="12" material="2" universe="4" />
+    <cell fill="6" id="13" name="container assembly cell" region="-11 12 -13 14 15 -16 9 -10" universe="5" />
+    <hex_lattice id="6" n_axial="2" n_rings="11" name="regular fuel assembly" orientation="x">
+      <pitch>1.235 5.0</pitch>
+      <outer>4</outer>
+      <center>0.0 0.0 5.0</center>
+      <universes>
           1 1 1 1 1 1 1 1 1 1 1
          1 1 1 1 1 1 1 1 1 1 1 1
         1 1 1 1 1 1 1 1 1 1 1 1 1
@@ -60,64 +90,34 @@
         1 1 1 1 1 1 1 1 1 1 1 1 1
          1 1 1 1 1 1 1 1 1 1 1 1
           1 1 1 1 1 1 1 1 1 1 1</universes>
-  </hex_lattice>
-  <surface coeffs="0.0 0.0 0.386" id="1" type="z-cylinder" />
-  <surface coeffs="0.0 0.0 0.4582" id="2" type="z-cylinder" />
-  <surface coeffs="0.0 0.0 0.45" id="3" type="z-cylinder" />
-  <surface coeffs="0.0 0.0 0.5177" id="4" type="z-cylinder" />
-  <surface coeffs="0.0 0.0 0.35" id="5" type="z-cylinder" />
-  <surface coeffs="0.0 0.0 0.41" id="6" type="z-cylinder" />
-  <surface coeffs="0.0 0.0 0.545" id="7" type="z-cylinder" />
-  <surface coeffs="0.0 0.0 0.6323" id="8" type="z-cylinder" />
-  <surface boundary="reflective" coeffs="0.0" id="9" type="z-plane" />
-  <surface boundary="reflective" coeffs="10.0" id="10" type="z-plane" />
-  <surface boundary="reflective" coeffs="11.8" id="11" type="y-plane" />
-  <surface boundary="reflective" coeffs="-11.8" id="12" type="y-plane" />
-  <surface boundary="reflective" coeffs="1.7320508075688772 1.0 0.0 23.6" id="13" type="plane" />
-  <surface boundary="reflective" coeffs="-1.7320508075688772 1.0 0.0 -23.6" id="14" type="plane" />
-  <surface boundary="reflective" coeffs="1.7320508075688772 1.0 0.0 -23.6" id="15" type="plane" />
-  <surface boundary="reflective" coeffs="-1.7320508075688772 1.0 0.0 23.6" id="16" type="plane" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-  <material depletable="true" id="1" name="UO2">
-    <density units="sum" />
-    <nuclide ao="0.0008737" name="U235" />
-    <nuclide ao="0.018744" name="U238" />
-    <nuclide ao="0.039235" name="O16" />
-  </material>
-  <material id="2" name="borated H2O">
-    <density units="sum" />
-    <nuclide ao="0.06694" name="H1" />
-    <nuclide ao="0.03347" name="O16" />
-    <nuclide ao="6.6262e-06" name="B10" />
-    <nuclide ao="2.6839e-05" name="B11" />
-  </material>
-  <material id="3" name="pellet B4C">
-    <density units="sum" />
-    <nuclide ao="0.01966" name="C0" />
-    <nuclide ao="4.7344e-06" name="B11" />
-    <nuclide ao="1.9177e-05" name="B10" />
-  </material>
-  <material id="4" name="Zirc4">
-    <density units="sum" />
-    <nuclide ao="0.021763349999999997" name="Zr90" />
-    <nuclide ao="0.00474606" name="Zr91" />
-    <nuclide ao="0.00725445" name="Zr92" />
-    <nuclide ao="0.00735174" name="Zr94" />
-    <nuclide ao="0.0011844" name="Zr96" />
-  </material>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>eigenvalue</run_mode>
-  <particles>1000</particles>
-  <batches>10</batches>
-  <inactive>5</inactive>
-  <source strength="1.0">
-    <space type="box">
-      <parameters>-13.62546635287517 -13.62546635287517 0.0 13.62546635287517 13.62546635287517 10.0</parameters>
-    </space>
-  </source>
-  <seed>22</seed>
-</settings>
+    </hex_lattice>
+    <surface coeffs="0.0 0.0 0.386" id="1" type="z-cylinder" />
+    <surface coeffs="0.0 0.0 0.4582" id="2" type="z-cylinder" />
+    <surface coeffs="0.0 0.0 0.45" id="3" type="z-cylinder" />
+    <surface coeffs="0.0 0.0 0.5177" id="4" type="z-cylinder" />
+    <surface coeffs="0.0 0.0 0.35" id="5" type="z-cylinder" />
+    <surface coeffs="0.0 0.0 0.41" id="6" type="z-cylinder" />
+    <surface coeffs="0.0 0.0 0.545" id="7" type="z-cylinder" />
+    <surface coeffs="0.0 0.0 0.6323" id="8" type="z-cylinder" />
+    <surface boundary="reflective" coeffs="0.0" id="9" type="z-plane" />
+    <surface boundary="reflective" coeffs="10.0" id="10" type="z-plane" />
+    <surface boundary="reflective" coeffs="11.8" id="11" type="y-plane" />
+    <surface boundary="reflective" coeffs="-11.8" id="12" type="y-plane" />
+    <surface boundary="reflective" coeffs="1.7320508075688772 1.0 0.0 23.6" id="13" type="plane" />
+    <surface boundary="reflective" coeffs="-1.7320508075688772 1.0 0.0 -23.6" id="14" type="plane" />
+    <surface boundary="reflective" coeffs="1.7320508075688772 1.0 0.0 -23.6" id="15" type="plane" />
+    <surface boundary="reflective" coeffs="-1.7320508075688772 1.0 0.0 23.6" id="16" type="plane" />
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>1000</particles>
+    <batches>10</batches>
+    <inactive>5</inactive>
+    <source strength="1.0">
+      <space type="box">
+        <parameters>-13.62546635287517 -13.62546635287517 0.0 13.62546635287517 13.62546635287517 10.0</parameters>
+      </space>
+    </source>
+    <seed>22</seed>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/lattice_hex_x/test.py b/tests/regression_tests/lattice_hex_x/test.py
index ecb27c9c2..e582c68ae 100644
--- a/tests/regression_tests/lattice_hex_x/test.py
+++ b/tests/regression_tests/lattice_hex_x/test.py
@@ -4,8 +4,8 @@ import numpy as np
 
 
 class HexLatticeOXTestHarness(PyAPITestHarness):
-
-    def _build_inputs(self):
+    def __init__(self, *args, **kwargs):
+        super().__init__(*args, **kwargs)
         materials = openmc.Materials()
 
         fuel_mat = openmc.Material(material_id=1, name="UO2")
@@ -35,7 +35,7 @@ class HexLatticeOXTestHarness(PyAPITestHarness):
         zirc.add_element('Zr', 4.23e-2)
         materials.append(zirc)
 
-        materials.export_to_xml()
+        self._model.materials = materials
 
         # Geometry #
 
@@ -165,7 +165,7 @@ class HexLatticeOXTestHarness(PyAPITestHarness):
                     (4, 21), (5, 20), (4, 27), (5, 25), (4, 33)]
         for i, j in channels:
             universes[i][j] = abs_ch_univ
-        lattice = openmc.HexLattice(name="regular fuel assembly")
+        lattice = openmc.HexLattice(lattice_id=6, name="regular fuel assembly")
         lattice.orientation = "x"
         lattice.center = (0., 0., length/2.0)
         lattice.pitch = (assembly_pitch, length/2.0)
@@ -180,8 +180,7 @@ class HexLatticeOXTestHarness(PyAPITestHarness):
         root_univ = openmc.Universe(universe_id=5, name="root universe",
                                     cells=[assembly_cell])
 
-        geom = openmc.Geometry(root_univ)
-        geom.export_to_xml()
+        self._model.geometry = openmc.Geometry(root_univ)
 
         # Settings #
 
@@ -198,9 +197,9 @@ class HexLatticeOXTestHarness(PyAPITestHarness):
         settings.inactive = 5
         settings.particles = 1000
         settings.seed = 22
-        settings.export_to_xml()
+        self._model.settings = settings
 
 
 def test_lattice_hex_ox_surf():
-    harness = HexLatticeOXTestHarness('statepoint.10.h5')
+    harness = HexLatticeOXTestHarness('statepoint.10.h5', model=openmc.Model())
     harness.main()
diff --git a/tests/regression_tests/lattice_multiple/inputs_true.dat b/tests/regression_tests/lattice_multiple/inputs_true.dat
index c92e841bc..0eed3c201 100644
--- a/tests/regression_tests/lattice_multiple/inputs_true.dat
+++ b/tests/regression_tests/lattice_multiple/inputs_true.dat
@@ -1,53 +1,53 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell id="1" material="1" region="-1" universe="1" />
-  <cell id="2" material="2" region="1" universe="1" />
-  <cell id="3" material="1" region="-2" universe="2" />
-  <cell id="4" material="2" region="2" universe="2" />
-  <cell fill="3" id="5" universe="4" />
-  <cell fill="5" id="6" region="3 -4 5 -6" universe="6" />
-  <lattice id="3">
-    <pitch>1.2 1.2</pitch>
-    <outer>1</outer>
-    <dimension>2 2</dimension>
-    <lower_left>-1.2 -1.2</lower_left>
-    <universes>
+<model>
+  <materials>
+    <material depletable="true" id="1" name="UO2">
+      <density units="g/cm3" value="10.0" />
+      <nuclide ao="1.0" name="U235" />
+      <nuclide ao="2.0" name="O16" />
+    </material>
+    <material id="2" name="light water">
+      <density units="g/cm3" value="1.0" />
+      <nuclide ao="2.0" name="H1" />
+      <nuclide ao="1.0" name="O16" />
+      <sab name="c_H_in_H2O" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="-1" universe="1" />
+    <cell id="2" material="2" region="1" universe="1" />
+    <cell id="3" material="1" region="-2" universe="2" />
+    <cell id="4" material="2" region="2" universe="2" />
+    <cell fill="3" id="5" universe="4" />
+    <cell fill="5" id="6" region="3 -4 5 -6" universe="6" />
+    <lattice id="3">
+      <pitch>1.2 1.2</pitch>
+      <outer>1</outer>
+      <dimension>2 2</dimension>
+      <lower_left>-1.2 -1.2</lower_left>
+      <universes>
 2 1 
 1 1 </universes>
-  </lattice>
-  <lattice id="5">
-    <pitch>2.4 2.4</pitch>
-    <dimension>2 2</dimension>
-    <lower_left>-2.4 -2.4</lower_left>
-    <universes>
+    </lattice>
+    <lattice id="5">
+      <pitch>2.4 2.4</pitch>
+      <dimension>2 2</dimension>
+      <lower_left>-2.4 -2.4</lower_left>
+      <universes>
 4 4 
 4 4 </universes>
-  </lattice>
-  <surface coeffs="0.0 0.0 0.4" id="1" type="z-cylinder" />
-  <surface coeffs="0.0 0.0 0.5" id="2" type="z-cylinder" />
-  <surface boundary="reflective" coeffs="-2.4" id="3" name="minimum x" type="x-plane" />
-  <surface boundary="reflective" coeffs="2.4" id="4" name="maximum x" type="x-plane" />
-  <surface boundary="reflective" coeffs="-2.4" id="5" name="minimum y" type="y-plane" />
-  <surface boundary="reflective" coeffs="2.4" id="6" name="maximum y" type="y-plane" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-  <material depletable="true" id="1" name="UO2">
-    <density units="g/cm3" value="10.0" />
-    <nuclide ao="1.0" name="U235" />
-    <nuclide ao="2.0" name="O16" />
-  </material>
-  <material id="2" name="light water">
-    <density units="g/cm3" value="1.0" />
-    <nuclide ao="2.0" name="H1" />
-    <nuclide ao="1.0" name="O16" />
-    <sab name="c_H_in_H2O" />
-  </material>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>eigenvalue</run_mode>
-  <particles>1000</particles>
-  <batches>10</batches>
-  <inactive>5</inactive>
-</settings>
+    </lattice>
+    <surface coeffs="0.0 0.0 0.4" id="1" type="z-cylinder" />
+    <surface coeffs="0.0 0.0 0.5" id="2" type="z-cylinder" />
+    <surface boundary="reflective" coeffs="-2.4" id="3" name="minimum x" type="x-plane" />
+    <surface boundary="reflective" coeffs="2.4" id="4" name="maximum x" type="x-plane" />
+    <surface boundary="reflective" coeffs="-2.4" id="5" name="minimum y" type="y-plane" />
+    <surface boundary="reflective" coeffs="2.4" id="6" name="maximum y" type="y-plane" />
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>1000</particles>
+    <batches>10</batches>
+    <inactive>5</inactive>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/lattice_rotated/inputs_true.dat b/tests/regression_tests/lattice_rotated/inputs_true.dat
index 8ee34b4f3..8e54bdf88 100644
--- a/tests/regression_tests/lattice_rotated/inputs_true.dat
+++ b/tests/regression_tests/lattice_rotated/inputs_true.dat
@@ -1,18 +1,35 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell id="1" material="1" region="-1" universe="1" />
-  <cell id="2" material="3" region="1" universe="1" />
-  <cell id="3" material="2" region="-2" universe="2" />
-  <cell id="4" material="3" region="2" universe="2" />
-  <cell id="5" material="3" universe="30" />
-  <cell fill="4" id="6" region="-3" rotation="0.0 0.0 45.0" translation="-4.0 0.0 0.0" universe="5" />
-  <cell fill="3" id="7" region="-4" rotation="0.0 0.0 30.0" translation="4.0 0.0 0.0" universe="5" />
-  <cell id="8" material="3" region="-5 3 4" universe="5" />
-  <hex_lattice id="3" n_rings="3">
-    <pitch>1.25</pitch>
-    <outer>30</outer>
-    <center>0.0 0.0</center>
-    <universes>
+<model>
+  <materials>
+    <material depletable="true" id="1">
+      <density units="g/cm3" value="10.0" />
+      <nuclide ao="1.0" name="U235" />
+    </material>
+    <material depletable="true" id="2">
+      <density units="g/cm3" value="10.0" />
+      <nuclide ao="1.0" name="U238" />
+    </material>
+    <material id="3">
+      <density units="g/cm3" value="1.0" />
+      <nuclide ao="2.0" name="H1" />
+      <nuclide ao="1.0" name="O16" />
+      <sab name="c_H_in_H2O" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="-1" universe="1" />
+    <cell id="2" material="3" region="1" universe="1" />
+    <cell id="3" material="2" region="-2" universe="2" />
+    <cell id="4" material="3" region="2" universe="2" />
+    <cell id="5" material="3" universe="30" />
+    <cell fill="4" id="6" region="-3" rotation="0.0 0.0 45.0" translation="-4.0 0.0 0.0" universe="5" />
+    <cell fill="3" id="7" region="-4" rotation="0.0 0.0 30.0" translation="4.0 0.0 0.0" universe="5" />
+    <cell id="8" material="3" region="-5 3 4" universe="5" />
+    <hex_lattice id="3" n_rings="3">
+      <pitch>1.25</pitch>
+      <outer>30</outer>
+      <center>0.0 0.0</center>
+      <universes>
   2
  1 1
 1 2 1
@@ -22,50 +39,33 @@
 1 1 1
  1 1
   1</universes>
-  </hex_lattice>
-  <lattice id="4">
-    <pitch>1.25 1.25</pitch>
-    <outer>30</outer>
-    <dimension>4 4</dimension>
-    <lower_left>-2.5 -2.5</lower_left>
-    <universes>
+    </hex_lattice>
+    <lattice id="4">
+      <pitch>1.25 1.25</pitch>
+      <outer>30</outer>
+      <dimension>4 4</dimension>
+      <lower_left>-2.5 -2.5</lower_left>
+      <universes>
 2 2 2 2 
 1 1 1 1 
 1 1 1 1 
 1 1 1 1 </universes>
-  </lattice>
-  <surface coeffs="0.0 0.0 0.25" id="1" type="z-cylinder" />
-  <surface coeffs="0.0 0.0 0.5" id="2" type="z-cylinder" />
-  <surface coeffs="-4.0 0.0 4.0" id="3" type="z-cylinder" />
-  <surface coeffs="4.0 0.0 4.0" id="4" type="z-cylinder" />
-  <surface boundary="vacuum" coeffs="0.0 0.0 8.0" id="5" type="z-cylinder" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-  <material depletable="true" id="1">
-    <density units="g/cm3" value="10.0" />
-    <nuclide ao="1.0" name="U235" />
-  </material>
-  <material depletable="true" id="2">
-    <density units="g/cm3" value="10.0" />
-    <nuclide ao="1.0" name="U238" />
-  </material>
-  <material id="3">
-    <density units="g/cm3" value="1.0" />
-    <nuclide ao="2.0" name="H1" />
-    <nuclide ao="1.0" name="O16" />
-    <sab name="c_H_in_H2O" />
-  </material>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>eigenvalue</run_mode>
-  <particles>1000</particles>
-  <batches>5</batches>
-  <inactive>0</inactive>
-  <source strength="1.0">
-    <space type="point">
-      <parameters>0.0 0.0 0.0</parameters>
-    </space>
-  </source>
-</settings>
+    </lattice>
+    <surface coeffs="0.0 0.0 0.25" id="1" type="z-cylinder" />
+    <surface coeffs="0.0 0.0 0.5" id="2" type="z-cylinder" />
+    <surface coeffs="-4.0 0.0 4.0" id="3" type="z-cylinder" />
+    <surface coeffs="4.0 0.0 4.0" id="4" type="z-cylinder" />
+    <surface boundary="vacuum" coeffs="0.0 0.0 8.0" id="5" type="z-cylinder" />
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>1000</particles>
+    <batches>5</batches>
+    <inactive>0</inactive>
+    <source strength="1.0">
+      <space type="point">
+        <parameters>0.0 0.0 0.0</parameters>
+      </space>
+    </source>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/mg_basic/inputs_true.dat b/tests/regression_tests/mg_basic/inputs_true.dat
index 4f2fd3f0b..06406b5f2 100644
--- a/tests/regression_tests/mg_basic/inputs_true.dat
+++ b/tests/regression_tests/mg_basic/inputs_true.dat
@@ -1,64 +1,64 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell id="1" material="1" region="1 -2" universe="0" />
-  <cell id="2" material="2" region="2 -3" universe="0" />
-  <cell id="3" material="3" region="3 -4" universe="0" />
-  <cell id="4" material="4" region="4 -5" universe="0" />
-  <cell id="5" material="5" region="5 -6" universe="0" />
-  <cell id="6" material="6" region="6 -7" universe="0" />
-  <surface boundary="reflective" coeffs="0.0" id="1" type="x-plane" />
-  <surface coeffs="154.90833333333333" id="2" type="x-plane" />
-  <surface coeffs="309.81666666666666" id="3" type="x-plane" />
-  <surface coeffs="464.725" id="4" type="x-plane" />
-  <surface coeffs="619.6333333333333" id="5" type="x-plane" />
-  <surface coeffs="774.5416666666666" id="6" type="x-plane" />
-  <surface boundary="vacuum" coeffs="929.45" id="7" type="x-plane" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-  <cross_sections>2g.h5</cross_sections>
-  <material id="1" name="base leg">
-    <density units="macro" value="1.0" />
-    <macroscopic name="mat_1" />
-  </material>
-  <material id="2" name="base tab">
-    <density units="macro" value="1.0" />
-    <macroscopic name="mat_2" />
-  </material>
-  <material id="3" name="base hist">
-    <density units="macro" value="1.0" />
-    <macroscopic name="mat_3" />
-  </material>
-  <material id="4" name="base matrix">
-    <density units="macro" value="1.0" />
-    <macroscopic name="mat_4" />
-  </material>
-  <material id="5" name="base ang">
-    <density units="macro" value="1.0" />
-    <macroscopic name="mat_5" />
-  </material>
-  <material id="6" name="micro">
-    <density units="sum" />
-    <nuclide ao="0.5" name="mat_1" />
-    <nuclide ao="0.5" name="mat_6" />
-  </material>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>eigenvalue</run_mode>
-  <particles>1000</particles>
-  <batches>10</batches>
-  <inactive>5</inactive>
-  <source strength="1.0">
-    <space type="box">
-      <parameters>0.0 -1000.0 -1000.0 154.90833333333333 1000.0 1000.0</parameters>
-    </space>
-  </source>
-  <output>
-    <summary>false</summary>
-  </output>
-  <energy_mode>multi-group</energy_mode>
-  <tabular_legendre>
-    <enable>false</enable>
-  </tabular_legendre>
-</settings>
+<model>
+  <materials>
+    <cross_sections>2g.h5</cross_sections>
+    <material id="1" name="base leg">
+      <density units="macro" value="1.0" />
+      <macroscopic name="mat_1" />
+    </material>
+    <material id="2" name="base tab">
+      <density units="macro" value="1.0" />
+      <macroscopic name="mat_2" />
+    </material>
+    <material id="3" name="base hist">
+      <density units="macro" value="1.0" />
+      <macroscopic name="mat_3" />
+    </material>
+    <material id="4" name="base matrix">
+      <density units="macro" value="1.0" />
+      <macroscopic name="mat_4" />
+    </material>
+    <material id="5" name="base ang">
+      <density units="macro" value="1.0" />
+      <macroscopic name="mat_5" />
+    </material>
+    <material id="6" name="micro">
+      <density units="sum" />
+      <nuclide ao="0.5" name="mat_1" />
+      <nuclide ao="0.5" name="mat_6" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="1 -2" universe="0" />
+    <cell id="2" material="2" region="2 -3" universe="0" />
+    <cell id="3" material="3" region="3 -4" universe="0" />
+    <cell id="4" material="4" region="4 -5" universe="0" />
+    <cell id="5" material="5" region="5 -6" universe="0" />
+    <cell id="6" material="6" region="6 -7" universe="0" />
+    <surface boundary="reflective" coeffs="0.0" id="1" type="x-plane" />
+    <surface coeffs="154.90833333333333" id="2" type="x-plane" />
+    <surface coeffs="309.81666666666666" id="3" type="x-plane" />
+    <surface coeffs="464.725" id="4" type="x-plane" />
+    <surface coeffs="619.6333333333333" id="5" type="x-plane" />
+    <surface coeffs="774.5416666666666" id="6" type="x-plane" />
+    <surface boundary="vacuum" coeffs="929.45" id="7" type="x-plane" />
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>1000</particles>
+    <batches>10</batches>
+    <inactive>5</inactive>
+    <source strength="1.0">
+      <space type="box">
+        <parameters>0.0 -1000.0 -1000.0 154.90833333333333 1000.0 1000.0</parameters>
+      </space>
+    </source>
+    <output>
+      <summary>false</summary>
+    </output>
+    <energy_mode>multi-group</energy_mode>
+    <tabular_legendre>
+      <enable>false</enable>
+    </tabular_legendre>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/mg_basic_delayed/inputs_true.dat b/tests/regression_tests/mg_basic_delayed/inputs_true.dat
index 9fb7afe7e..05108d87d 100644
--- a/tests/regression_tests/mg_basic_delayed/inputs_true.dat
+++ b/tests/regression_tests/mg_basic_delayed/inputs_true.dat
@@ -1,63 +1,63 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell id="1" material="1" region="1 -2" universe="0" />
-  <cell id="2" material="2" region="2 -3" universe="0" />
-  <cell id="3" material="3" region="3 -4" universe="0" />
-  <cell id="4" material="4" region="4 -5" universe="0" />
-  <cell id="5" material="5" region="5 -6" universe="0" />
-  <cell id="6" material="6" region="6 -7" universe="0" />
-  <surface boundary="reflective" coeffs="0.0" id="1" type="x-plane" />
-  <surface coeffs="154.90833333333333" id="2" type="x-plane" />
-  <surface coeffs="309.81666666666666" id="3" type="x-plane" />
-  <surface coeffs="464.725" id="4" type="x-plane" />
-  <surface coeffs="619.6333333333333" id="5" type="x-plane" />
-  <surface coeffs="774.5416666666666" id="6" type="x-plane" />
-  <surface boundary="vacuum" coeffs="929.45" id="7" type="x-plane" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-  <cross_sections>2g.h5</cross_sections>
-  <material id="1" name="vec beta">
-    <density units="macro" value="1.0" />
-    <macroscopic name="mat_1" />
-  </material>
-  <material id="2" name="vec no beta">
-    <density units="macro" value="1.0" />
-    <macroscopic name="mat_2" />
-  </material>
-  <material id="3" name="matrix beta">
-    <density units="macro" value="1.0" />
-    <macroscopic name="mat_3" />
-  </material>
-  <material id="4" name="matrix no beta">
-    <density units="macro" value="1.0" />
-    <macroscopic name="mat_4" />
-  </material>
-  <material id="5" name="vec group beta">
-    <density units="macro" value="1.0" />
-    <macroscopic name="mat_5" />
-  </material>
-  <material id="6" name="matrix group beta">
-    <density units="macro" value="1.0" />
-    <macroscopic name="mat_6" />
-  </material>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>eigenvalue</run_mode>
-  <particles>1000</particles>
-  <batches>10</batches>
-  <inactive>5</inactive>
-  <source strength="1.0">
-    <space type="box">
-      <parameters>0.0 -1000.0 -1000.0 154.90833333333333 1000.0 1000.0</parameters>
-    </space>
-  </source>
-  <output>
-    <summary>false</summary>
-  </output>
-  <energy_mode>multi-group</energy_mode>
-  <tabular_legendre>
-    <enable>false</enable>
-  </tabular_legendre>
-</settings>
+<model>
+  <materials>
+    <cross_sections>2g.h5</cross_sections>
+    <material id="1" name="vec beta">
+      <density units="macro" value="1.0" />
+      <macroscopic name="mat_1" />
+    </material>
+    <material id="2" name="vec no beta">
+      <density units="macro" value="1.0" />
+      <macroscopic name="mat_2" />
+    </material>
+    <material id="3" name="matrix beta">
+      <density units="macro" value="1.0" />
+      <macroscopic name="mat_3" />
+    </material>
+    <material id="4" name="matrix no beta">
+      <density units="macro" value="1.0" />
+      <macroscopic name="mat_4" />
+    </material>
+    <material id="5" name="vec group beta">
+      <density units="macro" value="1.0" />
+      <macroscopic name="mat_5" />
+    </material>
+    <material id="6" name="matrix group beta">
+      <density units="macro" value="1.0" />
+      <macroscopic name="mat_6" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="1 -2" universe="0" />
+    <cell id="2" material="2" region="2 -3" universe="0" />
+    <cell id="3" material="3" region="3 -4" universe="0" />
+    <cell id="4" material="4" region="4 -5" universe="0" />
+    <cell id="5" material="5" region="5 -6" universe="0" />
+    <cell id="6" material="6" region="6 -7" universe="0" />
+    <surface boundary="reflective" coeffs="0.0" id="1" type="x-plane" />
+    <surface coeffs="154.90833333333333" id="2" type="x-plane" />
+    <surface coeffs="309.81666666666666" id="3" type="x-plane" />
+    <surface coeffs="464.725" id="4" type="x-plane" />
+    <surface coeffs="619.6333333333333" id="5" type="x-plane" />
+    <surface coeffs="774.5416666666666" id="6" type="x-plane" />
+    <surface boundary="vacuum" coeffs="929.45" id="7" type="x-plane" />
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>1000</particles>
+    <batches>10</batches>
+    <inactive>5</inactive>
+    <source strength="1.0">
+      <space type="box">
+        <parameters>0.0 -1000.0 -1000.0 154.90833333333333 1000.0 1000.0</parameters>
+      </space>
+    </source>
+    <output>
+      <summary>false</summary>
+    </output>
+    <energy_mode>multi-group</energy_mode>
+    <tabular_legendre>
+      <enable>false</enable>
+    </tabular_legendre>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/mg_convert/inputs_true.dat b/tests/regression_tests/mg_convert/inputs_true.dat
index 753c0d304..9276a7a7b 100644
--- a/tests/regression_tests/mg_convert/inputs_true.dat
+++ b/tests/regression_tests/mg_convert/inputs_true.dat
@@ -1,29 +1,29 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell id="1" material="1" name="cell 1" region="4 -5 6 -7" universe="0" />
-  <surface boundary="reflective" coeffs="-5.0" id="4" name="left" type="x-plane" />
-  <surface boundary="vacuum" coeffs="5.0" id="5" name="right" type="x-plane" />
-  <surface boundary="reflective" coeffs="-5.0" id="6" name="bottom" type="y-plane" />
-  <surface boundary="reflective" coeffs="5.0" id="7" name="top" type="y-plane" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-  <cross_sections>mgxs.h5</cross_sections>
-  <material id="1" name="UO2 fuel">
-    <density units="macro" value="1.1" />
-    <macroscopic name="UO2" />
-  </material>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>eigenvalue</run_mode>
-  <particles>100</particles>
-  <batches>10</batches>
-  <inactive>5</inactive>
-  <source strength="1.0">
-    <space type="box">
-      <parameters>-5 -5 -5 5 5 5</parameters>
-    </space>
-  </source>
-  <energy_mode>multi-group</energy_mode>
-</settings>
+<model>
+  <materials>
+    <cross_sections>mgxs.h5</cross_sections>
+    <material id="1" name="UO2 fuel">
+      <density units="macro" value="1.1" />
+      <macroscopic name="UO2" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" name="cell 1" region="4 -5 6 -7" universe="0" />
+    <surface boundary="reflective" coeffs="-5.0" id="4" name="left" type="x-plane" />
+    <surface boundary="vacuum" coeffs="5.0" id="5" name="right" type="x-plane" />
+    <surface boundary="reflective" coeffs="-5.0" id="6" name="bottom" type="y-plane" />
+    <surface boundary="reflective" coeffs="5.0" id="7" name="top" type="y-plane" />
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>10</batches>
+    <inactive>5</inactive>
+    <source strength="1.0">
+      <space type="box">
+        <parameters>-5 -5 -5 5 5 5</parameters>
+      </space>
+    </source>
+    <energy_mode>multi-group</energy_mode>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/mg_convert/test.py b/tests/regression_tests/mg_convert/test.py
index c6ab485ea..d9c4a57bd 100755
--- a/tests/regression_tests/mg_convert/test.py
+++ b/tests/regression_tests/mg_convert/test.py
@@ -61,7 +61,8 @@ def build_mgxs_library(convert):
 
 
 class MGXSTestHarness(PyAPITestHarness):
-    def _build_inputs(self):
+    def __init__(self, *args, **kwargs):
+        super().__init__(*args, **kwargs)
         # Instantiate some Macroscopic Data
         uo2_data = openmc.Macroscopic('UO2')
 
@@ -73,7 +74,7 @@ class MGXSTestHarness(PyAPITestHarness):
         # Instantiate a Materials collection and export to XML
         materials_file = openmc.Materials([mat])
         materials_file.cross_sections = "./mgxs.h5"
-        materials_file.export_to_xml()
+        self._model.materials = materials_file
 
         # Instantiate ZCylinder surfaces
         left = openmc.XPlane(surface_id=4, x0=-5., name='left')
@@ -102,8 +103,7 @@ class MGXSTestHarness(PyAPITestHarness):
         root.add_cells([fuel])
 
         # Instantiate a Geometry, register the root Universe, and export to XML
-        geometry = openmc.Geometry(root)
-        geometry.export_to_xml()
+        self._model.geometry = openmc.Geometry(root)
 
         settings_file = openmc.Settings()
         settings_file.energy_mode = "multi-group"
@@ -116,7 +116,7 @@ class MGXSTestHarness(PyAPITestHarness):
         uniform_dist = openmc.stats.Box(bounds[:3], bounds[3:])
         settings_file.source = openmc.source.Source(space=uniform_dist)
 
-        settings_file.export_to_xml()
+        self._model.settings = settings_file
 
     def _run_openmc(self):
         # Run multiple conversions to compare results
@@ -194,5 +194,5 @@ class MGXSTestHarness(PyAPITestHarness):
 
 
 def test_mg_convert():
-    harness = MGXSTestHarness('statepoint.10.h5')
+    harness = MGXSTestHarness('statepoint.10.h5', model=openmc.Model())
     harness.main()
diff --git a/tests/regression_tests/mg_legendre/inputs_true.dat b/tests/regression_tests/mg_legendre/inputs_true.dat
index ad3b434e6..d90dfb802 100644
--- a/tests/regression_tests/mg_legendre/inputs_true.dat
+++ b/tests/regression_tests/mg_legendre/inputs_true.dat
@@ -1,33 +1,33 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell id="1" material="1" region="1 -2" universe="0" />
-  <surface boundary="reflective" coeffs="0.0" id="1" type="x-plane" />
-  <surface boundary="vacuum" coeffs="929.45" id="2" type="x-plane" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-  <cross_sections>2g.h5</cross_sections>
-  <material id="1" name="mat_1">
-    <density units="macro" value="1.0" />
-    <macroscopic name="mat_1" />
-  </material>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>eigenvalue</run_mode>
-  <particles>1000</particles>
-  <batches>10</batches>
-  <inactive>5</inactive>
-  <source strength="1.0">
-    <space type="box">
-      <parameters>0.0 -1000.0 -1000.0 929.45 1000.0 1000.0</parameters>
-    </space>
-  </source>
-  <output>
-    <summary>false</summary>
-  </output>
-  <energy_mode>multi-group</energy_mode>
-  <tabular_legendre>
-    <enable>false</enable>
-  </tabular_legendre>
-</settings>
+<model>
+  <materials>
+    <cross_sections>2g.h5</cross_sections>
+    <material id="1" name="mat_1">
+      <density units="macro" value="1.0" />
+      <macroscopic name="mat_1" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="1 -2" universe="0" />
+    <surface boundary="reflective" coeffs="0.0" id="1" type="x-plane" />
+    <surface boundary="vacuum" coeffs="929.45" id="2" type="x-plane" />
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>1000</particles>
+    <batches>10</batches>
+    <inactive>5</inactive>
+    <source strength="1.0">
+      <space type="box">
+        <parameters>0.0 -1000.0 -1000.0 929.45 1000.0 1000.0</parameters>
+      </space>
+    </source>
+    <output>
+      <summary>false</summary>
+    </output>
+    <energy_mode>multi-group</energy_mode>
+    <tabular_legendre>
+      <enable>false</enable>
+    </tabular_legendre>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/mg_max_order/inputs_true.dat b/tests/regression_tests/mg_max_order/inputs_true.dat
index 2ac83852c..9bfcd54df 100644
--- a/tests/regression_tests/mg_max_order/inputs_true.dat
+++ b/tests/regression_tests/mg_max_order/inputs_true.dat
@@ -1,34 +1,34 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell id="1" material="1" region="1 -2" universe="0" />
-  <surface boundary="reflective" coeffs="0.0" id="1" type="x-plane" />
-  <surface boundary="vacuum" coeffs="929.45" id="2" type="x-plane" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-  <cross_sections>2g.h5</cross_sections>
-  <material id="1" name="mat_1">
-    <density units="macro" value="1.0" />
-    <macroscopic name="mat_1" />
-  </material>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>eigenvalue</run_mode>
-  <particles>1000</particles>
-  <batches>10</batches>
-  <inactive>5</inactive>
-  <source strength="1.0">
-    <space type="box">
-      <parameters>0.0 -1000.0 -1000.0 929.45 1000.0 1000.0</parameters>
-    </space>
-  </source>
-  <output>
-    <summary>false</summary>
-  </output>
-  <energy_mode>multi-group</energy_mode>
-  <max_order>1</max_order>
-  <tabular_legendre>
-    <enable>false</enable>
-  </tabular_legendre>
-</settings>
+<model>
+  <materials>
+    <cross_sections>2g.h5</cross_sections>
+    <material id="1" name="mat_1">
+      <density units="macro" value="1.0" />
+      <macroscopic name="mat_1" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="1 -2" universe="0" />
+    <surface boundary="reflective" coeffs="0.0" id="1" type="x-plane" />
+    <surface boundary="vacuum" coeffs="929.45" id="2" type="x-plane" />
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>1000</particles>
+    <batches>10</batches>
+    <inactive>5</inactive>
+    <source strength="1.0">
+      <space type="box">
+        <parameters>0.0 -1000.0 -1000.0 929.45 1000.0 1000.0</parameters>
+      </space>
+    </source>
+    <output>
+      <summary>false</summary>
+    </output>
+    <energy_mode>multi-group</energy_mode>
+    <max_order>1</max_order>
+    <tabular_legendre>
+      <enable>false</enable>
+    </tabular_legendre>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/mg_survival_biasing/inputs_true.dat b/tests/regression_tests/mg_survival_biasing/inputs_true.dat
index 5ece3ce9f..a3a2a726f 100644
--- a/tests/regression_tests/mg_survival_biasing/inputs_true.dat
+++ b/tests/regression_tests/mg_survival_biasing/inputs_true.dat
@@ -1,34 +1,34 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell id="1" material="1" region="1 -2" universe="0" />
-  <surface boundary="reflective" coeffs="0.0" id="1" type="x-plane" />
-  <surface boundary="vacuum" coeffs="929.45" id="2" type="x-plane" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-  <cross_sections>2g.h5</cross_sections>
-  <material id="1" name="mat_1">
-    <density units="macro" value="1.0" />
-    <macroscopic name="mat_1" />
-  </material>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>eigenvalue</run_mode>
-  <particles>1000</particles>
-  <batches>10</batches>
-  <inactive>5</inactive>
-  <source strength="1.0">
-    <space type="box">
-      <parameters>0.0 -1000.0 -1000.0 929.45 1000.0 1000.0</parameters>
-    </space>
-  </source>
-  <output>
-    <summary>false</summary>
-  </output>
-  <energy_mode>multi-group</energy_mode>
-  <survival_biasing>true</survival_biasing>
-  <tabular_legendre>
-    <enable>false</enable>
-  </tabular_legendre>
-</settings>
+<model>
+  <materials>
+    <cross_sections>2g.h5</cross_sections>
+    <material id="1" name="mat_1">
+      <density units="macro" value="1.0" />
+      <macroscopic name="mat_1" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="1 -2" universe="0" />
+    <surface boundary="reflective" coeffs="0.0" id="1" type="x-plane" />
+    <surface boundary="vacuum" coeffs="929.45" id="2" type="x-plane" />
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>1000</particles>
+    <batches>10</batches>
+    <inactive>5</inactive>
+    <source strength="1.0">
+      <space type="box">
+        <parameters>0.0 -1000.0 -1000.0 929.45 1000.0 1000.0</parameters>
+      </space>
+    </source>
+    <output>
+      <summary>false</summary>
+    </output>
+    <energy_mode>multi-group</energy_mode>
+    <survival_biasing>true</survival_biasing>
+    <tabular_legendre>
+      <enable>false</enable>
+    </tabular_legendre>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/mg_tallies/inputs_true.dat b/tests/regression_tests/mg_tallies/inputs_true.dat
index 562958722..bdd41c7f8 100644
--- a/tests/regression_tests/mg_tallies/inputs_true.dat
+++ b/tests/regression_tests/mg_tallies/inputs_true.dat
@@ -1,165 +1,164 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell id="1" material="1" region="1 -2" universe="0" />
-  <surface boundary="reflective" coeffs="0.0" id="1" type="x-plane" />
-  <surface boundary="vacuum" coeffs="929.45" id="2" type="x-plane" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-  <cross_sections>2g.h5</cross_sections>
-  <material id="1" name="mat_1">
-    <density units="macro" value="1.0" />
-    <macroscopic name="mat_1" />
-  </material>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>eigenvalue</run_mode>
-  <particles>1000</particles>
-  <batches>10</batches>
-  <inactive>5</inactive>
-  <source strength="1.0">
-    <space type="box">
-      <parameters>0.0 -1000.0 -1000.0 929.45 1000.0 1000.0</parameters>
-    </space>
-  </source>
-  <output>
-    <summary>false</summary>
-  </output>
-  <energy_mode>multi-group</energy_mode>
-  <tabular_legendre>
-    <enable>false</enable>
-  </tabular_legendre>
-</settings>
-<?xml version='1.0' encoding='utf-8'?>
-<tallies>
-  <mesh id="1">
-    <dimension>10 1 1</dimension>
-    <lower_left>0.0 0.0 0.0</lower_left>
-    <upper_right>929.45 1000 1000</upper_right>
-  </mesh>
-  <filter id="5" type="mesh">
-    <bins>1</bins>
-  </filter>
-  <filter id="6" type="material">
-    <bins>1</bins>
-  </filter>
-  <filter id="1" type="energy">
-    <bins>0.0 20000000.0</bins>
-  </filter>
-  <filter id="2" type="energyout">
-    <bins>0.0 20000000.0</bins>
-  </filter>
-  <filter id="3" type="energy">
-    <bins>0.0 0.625 20000000.0</bins>
-  </filter>
-  <filter id="4" type="energyout">
-    <bins>0.0 0.625 20000000.0</bins>
-  </filter>
-  <tally id="1">
-    <filters>5</filters>
-    <scores>total absorption fission nu-fission inverse-velocity prompt-nu-fission delayed-nu-fission kappa-fission events decay-rate flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="2">
-    <filters>5</filters>
-    <scores>total absorption fission nu-fission inverse-velocity prompt-nu-fission delayed-nu-fission kappa-fission events decay-rate flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="3">
-    <filters>6 1</filters>
-    <scores>total absorption fission nu-fission inverse-velocity prompt-nu-fission delayed-nu-fission kappa-fission events decay-rate flux scatter nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="4">
-    <filters>6 1</filters>
-    <scores>total absorption fission nu-fission inverse-velocity prompt-nu-fission delayed-nu-fission kappa-fission events decay-rate flux</scores>
-    <estimator>collision</estimator>
-  </tally>
-  <tally id="5">
-    <filters>6 1</filters>
-    <scores>total absorption fission nu-fission inverse-velocity prompt-nu-fission delayed-nu-fission kappa-fission events decay-rate flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="6">
-    <filters>6 1 2</filters>
-    <scores>scatter nu-scatter nu-fission</scores>
-  </tally>
-  <tally id="7">
-    <filters>6 3</filters>
-    <scores>total absorption fission nu-fission inverse-velocity prompt-nu-fission delayed-nu-fission kappa-fission events decay-rate flux scatter nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="8">
-    <filters>6 3</filters>
-    <scores>total absorption fission nu-fission inverse-velocity prompt-nu-fission delayed-nu-fission kappa-fission events decay-rate flux</scores>
-    <estimator>collision</estimator>
-  </tally>
-  <tally id="9">
-    <filters>6 3</filters>
-    <scores>total absorption fission nu-fission inverse-velocity prompt-nu-fission delayed-nu-fission kappa-fission events decay-rate flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="10">
-    <filters>6 3 4</filters>
-    <scores>scatter nu-scatter nu-fission</scores>
-  </tally>
-  <tally id="11">
-    <filters>5</filters>
-    <nuclides>mat_1</nuclides>
-    <scores>total absorption fission nu-fission inverse-velocity prompt-nu-fission delayed-nu-fission kappa-fission events decay-rate</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="12">
-    <filters>5</filters>
-    <nuclides>mat_1</nuclides>
-    <scores>total absorption fission nu-fission inverse-velocity prompt-nu-fission delayed-nu-fission kappa-fission events decay-rate</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="13">
-    <filters>6 1</filters>
-    <nuclides>mat_1</nuclides>
-    <scores>total absorption fission nu-fission inverse-velocity prompt-nu-fission delayed-nu-fission kappa-fission events decay-rate scatter nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="14">
-    <filters>6 1</filters>
-    <nuclides>mat_1</nuclides>
-    <scores>total absorption fission nu-fission inverse-velocity prompt-nu-fission delayed-nu-fission kappa-fission events decay-rate</scores>
-    <estimator>collision</estimator>
-  </tally>
-  <tally id="15">
-    <filters>6 1</filters>
-    <nuclides>mat_1</nuclides>
-    <scores>total absorption fission nu-fission inverse-velocity prompt-nu-fission delayed-nu-fission kappa-fission events decay-rate</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="16">
-    <filters>6 1 2</filters>
-    <nuclides>mat_1</nuclides>
-    <scores>scatter nu-scatter nu-fission</scores>
-  </tally>
-  <tally id="17">
-    <filters>6 3</filters>
-    <nuclides>mat_1</nuclides>
-    <scores>total absorption fission nu-fission inverse-velocity prompt-nu-fission delayed-nu-fission kappa-fission events decay-rate scatter nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="18">
-    <filters>6 3</filters>
-    <nuclides>mat_1</nuclides>
-    <scores>total absorption fission nu-fission inverse-velocity prompt-nu-fission delayed-nu-fission kappa-fission events decay-rate</scores>
-    <estimator>collision</estimator>
-  </tally>
-  <tally id="19">
-    <filters>6 3</filters>
-    <nuclides>mat_1</nuclides>
-    <scores>total absorption fission nu-fission inverse-velocity prompt-nu-fission delayed-nu-fission kappa-fission events decay-rate</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="20">
-    <filters>6 3 4</filters>
-    <nuclides>mat_1</nuclides>
-    <scores>scatter nu-scatter nu-fission</scores>
-  </tally>
-</tallies>
+<model>
+  <materials>
+    <cross_sections>2g.h5</cross_sections>
+    <material id="1" name="mat_1">
+      <density units="macro" value="1.0" />
+      <macroscopic name="mat_1" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="1 -2" universe="0" />
+    <surface boundary="reflective" coeffs="0.0" id="1" type="x-plane" />
+    <surface boundary="vacuum" coeffs="929.45" id="2" type="x-plane" />
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>1000</particles>
+    <batches>10</batches>
+    <inactive>5</inactive>
+    <source strength="1.0">
+      <space type="box">
+        <parameters>0.0 -1000.0 -1000.0 929.45 1000.0 1000.0</parameters>
+      </space>
+    </source>
+    <output>
+      <summary>false</summary>
+    </output>
+    <energy_mode>multi-group</energy_mode>
+    <tabular_legendre>
+      <enable>false</enable>
+    </tabular_legendre>
+  </settings>
+  <tallies>
+    <mesh id="1">
+      <dimension>10 1 1</dimension>
+      <lower_left>0.0 0.0 0.0</lower_left>
+      <upper_right>929.45 1000 1000</upper_right>
+    </mesh>
+    <filter id="5" type="mesh">
+      <bins>1</bins>
+    </filter>
+    <filter id="6" type="material">
+      <bins>1</bins>
+    </filter>
+    <filter id="1" type="energy">
+      <bins>0.0 20000000.0</bins>
+    </filter>
+    <filter id="2" type="energyout">
+      <bins>0.0 20000000.0</bins>
+    </filter>
+    <filter id="3" type="energy">
+      <bins>0.0 0.625 20000000.0</bins>
+    </filter>
+    <filter id="4" type="energyout">
+      <bins>0.0 0.625 20000000.0</bins>
+    </filter>
+    <tally id="1">
+      <filters>5</filters>
+      <scores>total absorption fission nu-fission inverse-velocity prompt-nu-fission delayed-nu-fission kappa-fission events decay-rate flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="2">
+      <filters>5</filters>
+      <scores>total absorption fission nu-fission inverse-velocity prompt-nu-fission delayed-nu-fission kappa-fission events decay-rate flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="3">
+      <filters>6 1</filters>
+      <scores>total absorption fission nu-fission inverse-velocity prompt-nu-fission delayed-nu-fission kappa-fission events decay-rate flux scatter nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="4">
+      <filters>6 1</filters>
+      <scores>total absorption fission nu-fission inverse-velocity prompt-nu-fission delayed-nu-fission kappa-fission events decay-rate flux</scores>
+      <estimator>collision</estimator>
+    </tally>
+    <tally id="5">
+      <filters>6 1</filters>
+      <scores>total absorption fission nu-fission inverse-velocity prompt-nu-fission delayed-nu-fission kappa-fission events decay-rate flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="6">
+      <filters>6 1 2</filters>
+      <scores>scatter nu-scatter nu-fission</scores>
+    </tally>
+    <tally id="7">
+      <filters>6 3</filters>
+      <scores>total absorption fission nu-fission inverse-velocity prompt-nu-fission delayed-nu-fission kappa-fission events decay-rate flux scatter nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="8">
+      <filters>6 3</filters>
+      <scores>total absorption fission nu-fission inverse-velocity prompt-nu-fission delayed-nu-fission kappa-fission events decay-rate flux</scores>
+      <estimator>collision</estimator>
+    </tally>
+    <tally id="9">
+      <filters>6 3</filters>
+      <scores>total absorption fission nu-fission inverse-velocity prompt-nu-fission delayed-nu-fission kappa-fission events decay-rate flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="10">
+      <filters>6 3 4</filters>
+      <scores>scatter nu-scatter nu-fission</scores>
+    </tally>
+    <tally id="11">
+      <filters>5</filters>
+      <nuclides>mat_1</nuclides>
+      <scores>total absorption fission nu-fission inverse-velocity prompt-nu-fission delayed-nu-fission kappa-fission events decay-rate</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="12">
+      <filters>5</filters>
+      <nuclides>mat_1</nuclides>
+      <scores>total absorption fission nu-fission inverse-velocity prompt-nu-fission delayed-nu-fission kappa-fission events decay-rate</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="13">
+      <filters>6 1</filters>
+      <nuclides>mat_1</nuclides>
+      <scores>total absorption fission nu-fission inverse-velocity prompt-nu-fission delayed-nu-fission kappa-fission events decay-rate scatter nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="14">
+      <filters>6 1</filters>
+      <nuclides>mat_1</nuclides>
+      <scores>total absorption fission nu-fission inverse-velocity prompt-nu-fission delayed-nu-fission kappa-fission events decay-rate</scores>
+      <estimator>collision</estimator>
+    </tally>
+    <tally id="15">
+      <filters>6 1</filters>
+      <nuclides>mat_1</nuclides>
+      <scores>total absorption fission nu-fission inverse-velocity prompt-nu-fission delayed-nu-fission kappa-fission events decay-rate</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="16">
+      <filters>6 1 2</filters>
+      <nuclides>mat_1</nuclides>
+      <scores>scatter nu-scatter nu-fission</scores>
+    </tally>
+    <tally id="17">
+      <filters>6 3</filters>
+      <nuclides>mat_1</nuclides>
+      <scores>total absorption fission nu-fission inverse-velocity prompt-nu-fission delayed-nu-fission kappa-fission events decay-rate scatter nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="18">
+      <filters>6 3</filters>
+      <nuclides>mat_1</nuclides>
+      <scores>total absorption fission nu-fission inverse-velocity prompt-nu-fission delayed-nu-fission kappa-fission events decay-rate</scores>
+      <estimator>collision</estimator>
+    </tally>
+    <tally id="19">
+      <filters>6 3</filters>
+      <nuclides>mat_1</nuclides>
+      <scores>total absorption fission nu-fission inverse-velocity prompt-nu-fission delayed-nu-fission kappa-fission events decay-rate</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="20">
+      <filters>6 3 4</filters>
+      <nuclides>mat_1</nuclides>
+      <scores>scatter nu-scatter nu-fission</scores>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/mgxs_library_ce_to_mg/inputs_true.dat b/tests/regression_tests/mgxs_library_ce_to_mg/inputs_true.dat
index bc5c4b2d4..533160577 100644
--- a/tests/regression_tests/mgxs_library_ce_to_mg/inputs_true.dat
+++ b/tests/regression_tests/mgxs_library_ce_to_mg/inputs_true.dat
@@ -1,251 +1,250 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell id="1" material="1" name="Fuel" region="-1" universe="0" />
-  <cell id="2" material="2" name="Cladding" region="1 -2" universe="0" />
-  <cell id="3" material="3" name="Water" region="2 3 -4 5 -6" universe="0" />
-  <surface coeffs="0 0 0.39218" id="1" name="Fuel OR" type="z-cylinder" />
-  <surface coeffs="0 0 0.4572" id="2" name="Clad OR" type="z-cylinder" />
-  <surface boundary="reflective" coeffs="-0.63" id="3" name="left" type="x-plane" />
-  <surface boundary="reflective" coeffs="0.63" id="4" name="right" type="x-plane" />
-  <surface boundary="reflective" coeffs="-0.63" id="5" name="bottom" type="y-plane" />
-  <surface boundary="reflective" coeffs="0.63" id="6" name="top" type="y-plane" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-  <material depletable="true" id="1" name="UO2 (2.4%)">
-    <density units="g/cm3" value="10.29769" />
-    <nuclide ao="4.4843e-06" name="U234" />
-    <nuclide ao="0.00055815" name="U235" />
-    <nuclide ao="0.022408" name="U238" />
-    <nuclide ao="0.045829" name="O16" />
-  </material>
-  <material id="2" name="Zircaloy">
-    <density units="g/cm3" value="6.55" />
-    <nuclide ao="0.021827" name="Zr90" />
-    <nuclide ao="0.00476" name="Zr91" />
-    <nuclide ao="0.0072758" name="Zr92" />
-    <nuclide ao="0.0073734" name="Zr94" />
-    <nuclide ao="0.0011879" name="Zr96" />
-  </material>
-  <material id="3" name="Hot borated water">
-    <density units="g/cm3" value="0.740582" />
-    <nuclide ao="0.049457" name="H1" />
-    <nuclide ao="0.024672" name="O16" />
-    <nuclide ao="8.0042e-06" name="B10" />
-    <nuclide ao="3.2218e-05" name="B11" />
-    <sab name="c_H_in_H2O" />
-  </material>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>eigenvalue</run_mode>
-  <particles>100</particles>
-  <batches>10</batches>
-  <inactive>5</inactive>
-  <source strength="1.0">
-    <space type="fission">
-      <parameters>-0.63 -0.63 -1 0.63 0.63 1</parameters>
-    </space>
-  </source>
-</settings>
-<?xml version='1.0' encoding='utf-8'?>
-<tallies>
-  <filter id="1" type="material">
-    <bins>1</bins>
-  </filter>
-  <filter id="2" type="energy">
-    <bins>0.0 0.625 20000000.0</bins>
-  </filter>
-  <filter id="7" type="energyout">
-    <bins>0.0 0.625 20000000.0</bins>
-  </filter>
-  <filter id="11" type="legendre">
-    <order>3</order>
-  </filter>
-  <filter id="15" type="material">
-    <bins>2</bins>
-  </filter>
-  <filter id="29" type="material">
-    <bins>3</bins>
-  </filter>
-  <tally id="1">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="2">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>total</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="3">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="4">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>absorption</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="5">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="6">
-    <filters>1 2 7</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="7">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="8">
-    <filters>1 2 7 11</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="9">
-    <filters>1 2 7</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="10">
-    <filters>1 2 7</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="11">
-    <filters>15 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="12">
-    <filters>15 2</filters>
-    <nuclides>total</nuclides>
-    <scores>total</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="13">
-    <filters>15 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="14">
-    <filters>15 2</filters>
-    <nuclides>total</nuclides>
-    <scores>absorption</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="15">
-    <filters>15 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="16">
-    <filters>15 2 7</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="17">
-    <filters>15 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="18">
-    <filters>15 2 7 11</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="19">
-    <filters>15 2 7</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="20">
-    <filters>15 2 7</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="21">
-    <filters>29 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="22">
-    <filters>29 2</filters>
-    <nuclides>total</nuclides>
-    <scores>total</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="23">
-    <filters>29 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="24">
-    <filters>29 2</filters>
-    <nuclides>total</nuclides>
-    <scores>absorption</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="25">
-    <filters>29 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="26">
-    <filters>29 2 7</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="27">
-    <filters>29 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="28">
-    <filters>29 2 7 11</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="29">
-    <filters>29 2 7</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="30">
-    <filters>29 2 7</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-</tallies>
+<model>
+  <materials>
+    <material depletable="true" id="1" name="UO2 (2.4%)">
+      <density units="g/cm3" value="10.29769" />
+      <nuclide ao="4.4843e-06" name="U234" />
+      <nuclide ao="0.00055815" name="U235" />
+      <nuclide ao="0.022408" name="U238" />
+      <nuclide ao="0.045829" name="O16" />
+    </material>
+    <material id="2" name="Zircaloy">
+      <density units="g/cm3" value="6.55" />
+      <nuclide ao="0.021827" name="Zr90" />
+      <nuclide ao="0.00476" name="Zr91" />
+      <nuclide ao="0.0072758" name="Zr92" />
+      <nuclide ao="0.0073734" name="Zr94" />
+      <nuclide ao="0.0011879" name="Zr96" />
+    </material>
+    <material id="3" name="Hot borated water">
+      <density units="g/cm3" value="0.740582" />
+      <nuclide ao="0.049457" name="H1" />
+      <nuclide ao="0.024672" name="O16" />
+      <nuclide ao="8.0042e-06" name="B10" />
+      <nuclide ao="3.2218e-05" name="B11" />
+      <sab name="c_H_in_H2O" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" name="Fuel" region="-1" universe="0" />
+    <cell id="2" material="2" name="Cladding" region="1 -2" universe="0" />
+    <cell id="3" material="3" name="Water" region="2 3 -4 5 -6" universe="0" />
+    <surface coeffs="0 0 0.39218" id="1" name="Fuel OR" type="z-cylinder" />
+    <surface coeffs="0 0 0.4572" id="2" name="Clad OR" type="z-cylinder" />
+    <surface boundary="reflective" coeffs="-0.63" id="3" name="left" type="x-plane" />
+    <surface boundary="reflective" coeffs="0.63" id="4" name="right" type="x-plane" />
+    <surface boundary="reflective" coeffs="-0.63" id="5" name="bottom" type="y-plane" />
+    <surface boundary="reflective" coeffs="0.63" id="6" name="top" type="y-plane" />
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>10</batches>
+    <inactive>5</inactive>
+    <source strength="1.0">
+      <space type="fission">
+        <parameters>-0.63 -0.63 -1 0.63 0.63 1</parameters>
+      </space>
+    </source>
+  </settings>
+  <tallies>
+    <filter id="1" type="material">
+      <bins>1</bins>
+    </filter>
+    <filter id="2" type="energy">
+      <bins>0.0 0.625 20000000.0</bins>
+    </filter>
+    <filter id="7" type="energyout">
+      <bins>0.0 0.625 20000000.0</bins>
+    </filter>
+    <filter id="11" type="legendre">
+      <order>3</order>
+    </filter>
+    <filter id="15" type="material">
+      <bins>2</bins>
+    </filter>
+    <filter id="29" type="material">
+      <bins>3</bins>
+    </filter>
+    <tally id="1">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="2">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>total</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="3">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="4">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>absorption</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="5">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="6">
+      <filters>1 2 7</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="7">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="8">
+      <filters>1 2 7 11</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="9">
+      <filters>1 2 7</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="10">
+      <filters>1 2 7</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="11">
+      <filters>15 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="12">
+      <filters>15 2</filters>
+      <nuclides>total</nuclides>
+      <scores>total</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="13">
+      <filters>15 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="14">
+      <filters>15 2</filters>
+      <nuclides>total</nuclides>
+      <scores>absorption</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="15">
+      <filters>15 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="16">
+      <filters>15 2 7</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="17">
+      <filters>15 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="18">
+      <filters>15 2 7 11</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="19">
+      <filters>15 2 7</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="20">
+      <filters>15 2 7</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="21">
+      <filters>29 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="22">
+      <filters>29 2</filters>
+      <nuclides>total</nuclides>
+      <scores>total</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="23">
+      <filters>29 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="24">
+      <filters>29 2</filters>
+      <nuclides>total</nuclides>
+      <scores>absorption</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="25">
+      <filters>29 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="26">
+      <filters>29 2 7</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="27">
+      <filters>29 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="28">
+      <filters>29 2 7 11</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="29">
+      <filters>29 2 7</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="30">
+      <filters>29 2 7</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/mgxs_library_ce_to_mg/test.py b/tests/regression_tests/mgxs_library_ce_to_mg/test.py
index 72f052e68..4dff67323 100644
--- a/tests/regression_tests/mgxs_library_ce_to_mg/test.py
+++ b/tests/regression_tests/mgxs_library_ce_to_mg/test.py
@@ -48,15 +48,12 @@ class MGXSTestHarness(PyAPITestHarness):
         # Modify materials and settings so we can run in MG mode
         self._model.materials.cross_sections = './mgxs.h5'
         self._model.settings.energy_mode = 'multi-group'
+        # Dont need tallies so clear them from the model
+        self._model.tallies = openmc.Tallies()
 
         # Write modified input files
-        self._model.settings.export_to_xml()
-        self._model.geometry.export_to_xml()
-        self._model.materials.export_to_xml()
+        self._model.export_to_model_xml()
         self._model.mgxs_file.export_to_hdf5()
-        # Dont need tallies.xml, so remove the file
-        if os.path.exists('tallies.xml'):
-            os.remove('tallies.xml')
 
         # Enforce closing statepoint and summary files so HDF5
         # does not throw an error during the next OpenMC execution
diff --git a/tests/regression_tests/mgxs_library_ce_to_mg_nuclides/inputs_true.dat b/tests/regression_tests/mgxs_library_ce_to_mg_nuclides/inputs_true.dat
index 576f27966..fe154a018 100644
--- a/tests/regression_tests/mgxs_library_ce_to_mg_nuclides/inputs_true.dat
+++ b/tests/regression_tests/mgxs_library_ce_to_mg_nuclides/inputs_true.dat
@@ -1,251 +1,250 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell id="1" material="1" name="Fuel" region="-1" universe="0" />
-  <cell id="2" material="2" name="Cladding" region="1 -2" universe="0" />
-  <cell id="3" material="3" name="Water" region="2 3 -4 5 -6" universe="0" />
-  <surface coeffs="0 0 0.39218" id="1" name="Fuel OR" type="z-cylinder" />
-  <surface coeffs="0 0 0.4572" id="2" name="Clad OR" type="z-cylinder" />
-  <surface boundary="reflective" coeffs="-0.63" id="3" name="left" type="x-plane" />
-  <surface boundary="reflective" coeffs="0.63" id="4" name="right" type="x-plane" />
-  <surface boundary="reflective" coeffs="-0.63" id="5" name="bottom" type="y-plane" />
-  <surface boundary="reflective" coeffs="0.63" id="6" name="top" type="y-plane" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-  <material depletable="true" id="1" name="UO2 (2.4%)">
-    <density units="g/cm3" value="10.29769" />
-    <nuclide ao="4.4843e-06" name="U234" />
-    <nuclide ao="0.00055815" name="U235" />
-    <nuclide ao="0.022408" name="U238" />
-    <nuclide ao="0.045829" name="O16" />
-  </material>
-  <material id="2" name="Zircaloy">
-    <density units="g/cm3" value="6.55" />
-    <nuclide ao="0.021827" name="Zr90" />
-    <nuclide ao="0.00476" name="Zr91" />
-    <nuclide ao="0.0072758" name="Zr92" />
-    <nuclide ao="0.0073734" name="Zr94" />
-    <nuclide ao="0.0011879" name="Zr96" />
-  </material>
-  <material id="3" name="Hot borated water">
-    <density units="g/cm3" value="0.740582" />
-    <nuclide ao="0.049457" name="H1" />
-    <nuclide ao="0.024672" name="O16" />
-    <nuclide ao="8.0042e-06" name="B10" />
-    <nuclide ao="3.2218e-05" name="B11" />
-    <sab name="c_H_in_H2O" />
-  </material>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>eigenvalue</run_mode>
-  <particles>100</particles>
-  <batches>10</batches>
-  <inactive>5</inactive>
-  <source strength="1.0">
-    <space type="fission">
-      <parameters>-0.63 -0.63 -1 0.63 0.63 1</parameters>
-    </space>
-  </source>
-</settings>
-<?xml version='1.0' encoding='utf-8'?>
-<tallies>
-  <filter id="1" type="material">
-    <bins>1</bins>
-  </filter>
-  <filter id="2" type="energy">
-    <bins>0.0 0.625 20000000.0</bins>
-  </filter>
-  <filter id="7" type="energyout">
-    <bins>0.0 0.625 20000000.0</bins>
-  </filter>
-  <filter id="11" type="legendre">
-    <order>3</order>
-  </filter>
-  <filter id="15" type="material">
-    <bins>2</bins>
-  </filter>
-  <filter id="29" type="material">
-    <bins>3</bins>
-  </filter>
-  <tally id="1">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="2">
-    <filters>1 2</filters>
-    <nuclides>U234 U235 U238 O16</nuclides>
-    <scores>total</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="3">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="4">
-    <filters>1 2</filters>
-    <nuclides>U234 U235 U238 O16</nuclides>
-    <scores>absorption</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="5">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="6">
-    <filters>1 2 7</filters>
-    <nuclides>U234 U235 U238 O16</nuclides>
-    <scores>nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="7">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="8">
-    <filters>1 2 7 11</filters>
-    <nuclides>U234 U235 U238 O16</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="9">
-    <filters>1 2 7</filters>
-    <nuclides>U234 U235 U238 O16</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="10">
-    <filters>1 2 7</filters>
-    <nuclides>U234 U235 U238 O16</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="11">
-    <filters>15 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="12">
-    <filters>15 2</filters>
-    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>total</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="13">
-    <filters>15 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="14">
-    <filters>15 2</filters>
-    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>absorption</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="15">
-    <filters>15 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="16">
-    <filters>15 2 7</filters>
-    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="17">
-    <filters>15 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="18">
-    <filters>15 2 7 11</filters>
-    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="19">
-    <filters>15 2 7</filters>
-    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="20">
-    <filters>15 2 7</filters>
-    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="21">
-    <filters>29 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="22">
-    <filters>29 2</filters>
-    <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>total</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="23">
-    <filters>29 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="24">
-    <filters>29 2</filters>
-    <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>absorption</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="25">
-    <filters>29 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="26">
-    <filters>29 2 7</filters>
-    <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="27">
-    <filters>29 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="28">
-    <filters>29 2 7 11</filters>
-    <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="29">
-    <filters>29 2 7</filters>
-    <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="30">
-    <filters>29 2 7</filters>
-    <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-</tallies>
+<model>
+  <materials>
+    <material depletable="true" id="1" name="UO2 (2.4%)">
+      <density units="g/cm3" value="10.29769" />
+      <nuclide ao="4.4843e-06" name="U234" />
+      <nuclide ao="0.00055815" name="U235" />
+      <nuclide ao="0.022408" name="U238" />
+      <nuclide ao="0.045829" name="O16" />
+    </material>
+    <material id="2" name="Zircaloy">
+      <density units="g/cm3" value="6.55" />
+      <nuclide ao="0.021827" name="Zr90" />
+      <nuclide ao="0.00476" name="Zr91" />
+      <nuclide ao="0.0072758" name="Zr92" />
+      <nuclide ao="0.0073734" name="Zr94" />
+      <nuclide ao="0.0011879" name="Zr96" />
+    </material>
+    <material id="3" name="Hot borated water">
+      <density units="g/cm3" value="0.740582" />
+      <nuclide ao="0.049457" name="H1" />
+      <nuclide ao="0.024672" name="O16" />
+      <nuclide ao="8.0042e-06" name="B10" />
+      <nuclide ao="3.2218e-05" name="B11" />
+      <sab name="c_H_in_H2O" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" name="Fuel" region="-1" universe="0" />
+    <cell id="2" material="2" name="Cladding" region="1 -2" universe="0" />
+    <cell id="3" material="3" name="Water" region="2 3 -4 5 -6" universe="0" />
+    <surface coeffs="0 0 0.39218" id="1" name="Fuel OR" type="z-cylinder" />
+    <surface coeffs="0 0 0.4572" id="2" name="Clad OR" type="z-cylinder" />
+    <surface boundary="reflective" coeffs="-0.63" id="3" name="left" type="x-plane" />
+    <surface boundary="reflective" coeffs="0.63" id="4" name="right" type="x-plane" />
+    <surface boundary="reflective" coeffs="-0.63" id="5" name="bottom" type="y-plane" />
+    <surface boundary="reflective" coeffs="0.63" id="6" name="top" type="y-plane" />
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>10</batches>
+    <inactive>5</inactive>
+    <source strength="1.0">
+      <space type="fission">
+        <parameters>-0.63 -0.63 -1 0.63 0.63 1</parameters>
+      </space>
+    </source>
+  </settings>
+  <tallies>
+    <filter id="1" type="material">
+      <bins>1</bins>
+    </filter>
+    <filter id="2" type="energy">
+      <bins>0.0 0.625 20000000.0</bins>
+    </filter>
+    <filter id="7" type="energyout">
+      <bins>0.0 0.625 20000000.0</bins>
+    </filter>
+    <filter id="11" type="legendre">
+      <order>3</order>
+    </filter>
+    <filter id="15" type="material">
+      <bins>2</bins>
+    </filter>
+    <filter id="29" type="material">
+      <bins>3</bins>
+    </filter>
+    <tally id="1">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="2">
+      <filters>1 2</filters>
+      <nuclides>U234 U235 U238 O16</nuclides>
+      <scores>total</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="3">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="4">
+      <filters>1 2</filters>
+      <nuclides>U234 U235 U238 O16</nuclides>
+      <scores>absorption</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="5">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="6">
+      <filters>1 2 7</filters>
+      <nuclides>U234 U235 U238 O16</nuclides>
+      <scores>nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="7">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="8">
+      <filters>1 2 7 11</filters>
+      <nuclides>U234 U235 U238 O16</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="9">
+      <filters>1 2 7</filters>
+      <nuclides>U234 U235 U238 O16</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="10">
+      <filters>1 2 7</filters>
+      <nuclides>U234 U235 U238 O16</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="11">
+      <filters>15 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="12">
+      <filters>15 2</filters>
+      <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
+      <scores>total</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="13">
+      <filters>15 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="14">
+      <filters>15 2</filters>
+      <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
+      <scores>absorption</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="15">
+      <filters>15 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="16">
+      <filters>15 2 7</filters>
+      <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
+      <scores>nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="17">
+      <filters>15 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="18">
+      <filters>15 2 7 11</filters>
+      <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="19">
+      <filters>15 2 7</filters>
+      <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="20">
+      <filters>15 2 7</filters>
+      <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="21">
+      <filters>29 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="22">
+      <filters>29 2</filters>
+      <nuclides>H1 O16 B10 B11</nuclides>
+      <scores>total</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="23">
+      <filters>29 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="24">
+      <filters>29 2</filters>
+      <nuclides>H1 O16 B10 B11</nuclides>
+      <scores>absorption</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="25">
+      <filters>29 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="26">
+      <filters>29 2 7</filters>
+      <nuclides>H1 O16 B10 B11</nuclides>
+      <scores>nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="27">
+      <filters>29 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="28">
+      <filters>29 2 7 11</filters>
+      <nuclides>H1 O16 B10 B11</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="29">
+      <filters>29 2 7</filters>
+      <nuclides>H1 O16 B10 B11</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="30">
+      <filters>29 2 7</filters>
+      <nuclides>H1 O16 B10 B11</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/mgxs_library_ce_to_mg_nuclides/test.py b/tests/regression_tests/mgxs_library_ce_to_mg_nuclides/test.py
index b624140d4..ee0cdf0d9 100644
--- a/tests/regression_tests/mgxs_library_ce_to_mg_nuclides/test.py
+++ b/tests/regression_tests/mgxs_library_ce_to_mg_nuclides/test.py
@@ -48,15 +48,12 @@ class MGXSTestHarness(PyAPITestHarness):
         # Modify materials and settings so we can run in MG mode
         self._model.materials.cross_sections = './mgxs.h5'
         self._model.settings.energy_mode = 'multi-group'
+        # Dont need tallies so clear them from the model
+        self._model.tallies = openmc.Tallies()
 
         # Write modified input files
-        self._model.settings.export_to_xml()
-        self._model.geometry.export_to_xml()
-        self._model.materials.export_to_xml()
+        self._model.export_to_model_xml()
         self._model.mgxs_file.export_to_hdf5()
-        # Dont need tallies.xml, so remove the file
-        if os.path.exists('tallies.xml'):
-            os.remove('tallies.xml')
 
         # Enforce closing statepoint and summary files so HDF5
         # does not throw an error during the next OpenMC execution
diff --git a/tests/regression_tests/mgxs_library_condense/inputs_true.dat b/tests/regression_tests/mgxs_library_condense/inputs_true.dat
index cac18ffcd..c8f140f80 100644
--- a/tests/regression_tests/mgxs_library_condense/inputs_true.dat
+++ b/tests/regression_tests/mgxs_library_condense/inputs_true.dat
@@ -1,532 +1,531 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell id="1" material="1" name="Fuel" region="-1" universe="0" />
-  <cell id="2" material="2" name="Cladding" region="1 -2" universe="0" />
-  <cell id="3" material="3" name="Water" region="2 3 -4 5 -6" universe="0" />
-  <surface coeffs="0 0 0.39218" id="1" name="Fuel OR" type="z-cylinder" />
-  <surface coeffs="0 0 0.4572" id="2" name="Clad OR" type="z-cylinder" />
-  <surface boundary="reflective" coeffs="-0.63" id="3" name="left" type="x-plane" />
-  <surface boundary="reflective" coeffs="0.63" id="4" name="right" type="x-plane" />
-  <surface boundary="reflective" coeffs="-0.63" id="5" name="bottom" type="y-plane" />
-  <surface boundary="reflective" coeffs="0.63" id="6" name="top" type="y-plane" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-  <material depletable="true" id="1" name="UO2 (2.4%)">
-    <density units="g/cm3" value="10.29769" />
-    <nuclide ao="4.4843e-06" name="U234" />
-    <nuclide ao="0.00055815" name="U235" />
-    <nuclide ao="0.022408" name="U238" />
-    <nuclide ao="0.045829" name="O16" />
-  </material>
-  <material id="2" name="Zircaloy">
-    <density units="g/cm3" value="6.55" />
-    <nuclide ao="0.021827" name="Zr90" />
-    <nuclide ao="0.00476" name="Zr91" />
-    <nuclide ao="0.0072758" name="Zr92" />
-    <nuclide ao="0.0073734" name="Zr94" />
-    <nuclide ao="0.0011879" name="Zr96" />
-  </material>
-  <material id="3" name="Hot borated water">
-    <density units="g/cm3" value="0.740582" />
-    <nuclide ao="0.049457" name="H1" />
-    <nuclide ao="0.024672" name="O16" />
-    <nuclide ao="8.0042e-06" name="B10" />
-    <nuclide ao="3.2218e-05" name="B11" />
-    <sab name="c_H_in_H2O" />
-  </material>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>eigenvalue</run_mode>
-  <particles>100</particles>
-  <batches>10</batches>
-  <inactive>5</inactive>
-  <source strength="1.0">
-    <space type="fission">
-      <parameters>-0.63 -0.63 -1 0.63 0.63 1</parameters>
-    </space>
-  </source>
-</settings>
-<?xml version='1.0' encoding='utf-8'?>
-<tallies>
-  <mesh id="1">
-    <dimension>2 2</dimension>
-    <lower_left>-100.0 -100.0</lower_left>
-    <width>100.0 100.0</width>
-  </mesh>
-  <filter id="1" type="mesh">
-    <bins>1</bins>
-  </filter>
-  <filter id="2" type="energy">
-    <bins>0.0 0.625 20000000.0</bins>
-  </filter>
-  <filter id="5" type="energyout">
-    <bins>0.0 0.625 20000000.0</bins>
-  </filter>
-  <filter id="6" type="legendre">
-    <order>1</order>
-  </filter>
-  <filter id="30" type="legendre">
-    <order>3</order>
-  </filter>
-  <filter id="54" type="energy">
-    <bins>0.0 20000000.0</bins>
-  </filter>
-  <filter id="68" type="meshsurface">
-    <bins>1</bins>
-  </filter>
-  <filter id="79" type="delayedgroup">
-    <bins>1 2 3 4 5 6</bins>
-  </filter>
-  <tally id="1">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="2">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>total</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="3">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="4">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>total</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="5">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="6">
-    <filters>1 5 6</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="7">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="8">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>total</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="9">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="10">
-    <filters>1 5 6</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="11">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="12">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>absorption</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="13">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="14">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>absorption</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="15">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>(n,2n)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="16">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>(n,3n)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="17">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>(n,4n)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="18">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="19">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>absorption</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="20">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="21">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="22">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="23">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="24">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="25">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="26">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>kappa-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="27">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="28">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="29">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="30">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="31">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="32">
-    <filters>1 2 5 30</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="33">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="34">
-    <filters>1 2 5 30</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="35">
-    <filters>1 2 5</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="36">
-    <filters>1 2 5</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="37">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="38">
-    <filters>1 2 5</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="39">
-    <filters>1 2 5</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="40">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="41">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="42">
-    <filters>1 2 5 30</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="43">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="44">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="45">
-    <filters>1 2 5 30</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="46">
-    <filters>1 2 5</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="47">
-    <filters>1 54</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="48">
-    <filters>1 5</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="49">
-    <filters>1 54</filters>
-    <nuclides>total</nuclides>
-    <scores>prompt-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="50">
-    <filters>1 5</filters>
-    <nuclides>total</nuclides>
-    <scores>prompt-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="51">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="52">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>inverse-velocity</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="53">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="54">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>prompt-nu-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="55">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="56">
-    <filters>1 2 5</filters>
-    <nuclides>total</nuclides>
-    <scores>prompt-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="57">
-    <filters>68 2</filters>
-    <nuclides>total</nuclides>
-    <scores>current</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="58">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="59">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>total</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="60">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="61">
-    <filters>1 5 6</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="62">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="63">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>total</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="64">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="65">
-    <filters>1 5 6</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="66">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="67">
-    <filters>1 79 2</filters>
-    <nuclides>total</nuclides>
-    <scores>delayed-nu-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="68">
-    <filters>1 79 54</filters>
-    <nuclides>total</nuclides>
-    <scores>delayed-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="69">
-    <filters>1 79 5</filters>
-    <nuclides>total</nuclides>
-    <scores>delayed-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="70">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="71">
-    <filters>1 79 2</filters>
-    <nuclides>total</nuclides>
-    <scores>delayed-nu-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="72">
-    <filters>1 79</filters>
-    <nuclides>total</nuclides>
-    <scores>delayed-nu-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="73">
-    <filters>1 79</filters>
-    <nuclides>total</nuclides>
-    <scores>decay-rate</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="74">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="75">
-    <filters>1 79 2 5</filters>
-    <nuclides>total</nuclides>
-    <scores>delayed-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-</tallies>
+<model>
+  <materials>
+    <material depletable="true" id="1" name="UO2 (2.4%)">
+      <density units="g/cm3" value="10.29769" />
+      <nuclide ao="4.4843e-06" name="U234" />
+      <nuclide ao="0.00055815" name="U235" />
+      <nuclide ao="0.022408" name="U238" />
+      <nuclide ao="0.045829" name="O16" />
+    </material>
+    <material id="2" name="Zircaloy">
+      <density units="g/cm3" value="6.55" />
+      <nuclide ao="0.021827" name="Zr90" />
+      <nuclide ao="0.00476" name="Zr91" />
+      <nuclide ao="0.0072758" name="Zr92" />
+      <nuclide ao="0.0073734" name="Zr94" />
+      <nuclide ao="0.0011879" name="Zr96" />
+    </material>
+    <material id="3" name="Hot borated water">
+      <density units="g/cm3" value="0.740582" />
+      <nuclide ao="0.049457" name="H1" />
+      <nuclide ao="0.024672" name="O16" />
+      <nuclide ao="8.0042e-06" name="B10" />
+      <nuclide ao="3.2218e-05" name="B11" />
+      <sab name="c_H_in_H2O" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" name="Fuel" region="-1" universe="0" />
+    <cell id="2" material="2" name="Cladding" region="1 -2" universe="0" />
+    <cell id="3" material="3" name="Water" region="2 3 -4 5 -6" universe="0" />
+    <surface coeffs="0 0 0.39218" id="1" name="Fuel OR" type="z-cylinder" />
+    <surface coeffs="0 0 0.4572" id="2" name="Clad OR" type="z-cylinder" />
+    <surface boundary="reflective" coeffs="-0.63" id="3" name="left" type="x-plane" />
+    <surface boundary="reflective" coeffs="0.63" id="4" name="right" type="x-plane" />
+    <surface boundary="reflective" coeffs="-0.63" id="5" name="bottom" type="y-plane" />
+    <surface boundary="reflective" coeffs="0.63" id="6" name="top" type="y-plane" />
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>10</batches>
+    <inactive>5</inactive>
+    <source strength="1.0">
+      <space type="fission">
+        <parameters>-0.63 -0.63 -1 0.63 0.63 1</parameters>
+      </space>
+    </source>
+  </settings>
+  <tallies>
+    <mesh id="1">
+      <dimension>2 2</dimension>
+      <lower_left>-100.0 -100.0</lower_left>
+      <width>100.0 100.0</width>
+    </mesh>
+    <filter id="1" type="mesh">
+      <bins>1</bins>
+    </filter>
+    <filter id="2" type="energy">
+      <bins>0.0 0.625 20000000.0</bins>
+    </filter>
+    <filter id="5" type="energyout">
+      <bins>0.0 0.625 20000000.0</bins>
+    </filter>
+    <filter id="6" type="legendre">
+      <order>1</order>
+    </filter>
+    <filter id="30" type="legendre">
+      <order>3</order>
+    </filter>
+    <filter id="54" type="energy">
+      <bins>0.0 20000000.0</bins>
+    </filter>
+    <filter id="68" type="meshsurface">
+      <bins>1</bins>
+    </filter>
+    <filter id="79" type="delayedgroup">
+      <bins>1 2 3 4 5 6</bins>
+    </filter>
+    <tally id="1">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="2">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>total</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="3">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="4">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>total</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="5">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="6">
+      <filters>1 5 6</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="7">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="8">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>total</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="9">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="10">
+      <filters>1 5 6</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="11">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="12">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>absorption</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="13">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="14">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>absorption</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="15">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>(n,2n)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="16">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>(n,3n)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="17">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>(n,4n)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="18">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="19">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>absorption</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="20">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>fission</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="21">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="22">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>fission</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="23">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="24">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-fission</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="25">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="26">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>kappa-fission</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="27">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="28">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="29">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="30">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="31">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="32">
+      <filters>1 2 5 30</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="33">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="34">
+      <filters>1 2 5 30</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="35">
+      <filters>1 2 5</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="36">
+      <filters>1 2 5</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="37">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="38">
+      <filters>1 2 5</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="39">
+      <filters>1 2 5</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="40">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="41">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="42">
+      <filters>1 2 5 30</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="43">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="44">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="45">
+      <filters>1 2 5 30</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="46">
+      <filters>1 2 5</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="47">
+      <filters>1 54</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="48">
+      <filters>1 5</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="49">
+      <filters>1 54</filters>
+      <nuclides>total</nuclides>
+      <scores>prompt-nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="50">
+      <filters>1 5</filters>
+      <nuclides>total</nuclides>
+      <scores>prompt-nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="51">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="52">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>inverse-velocity</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="53">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="54">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>prompt-nu-fission</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="55">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="56">
+      <filters>1 2 5</filters>
+      <nuclides>total</nuclides>
+      <scores>prompt-nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="57">
+      <filters>68 2</filters>
+      <nuclides>total</nuclides>
+      <scores>current</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="58">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="59">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>total</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="60">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="61">
+      <filters>1 5 6</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="62">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="63">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>total</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="64">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="65">
+      <filters>1 5 6</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="66">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="67">
+      <filters>1 79 2</filters>
+      <nuclides>total</nuclides>
+      <scores>delayed-nu-fission</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="68">
+      <filters>1 79 54</filters>
+      <nuclides>total</nuclides>
+      <scores>delayed-nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="69">
+      <filters>1 79 5</filters>
+      <nuclides>total</nuclides>
+      <scores>delayed-nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="70">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-fission</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="71">
+      <filters>1 79 2</filters>
+      <nuclides>total</nuclides>
+      <scores>delayed-nu-fission</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="72">
+      <filters>1 79</filters>
+      <nuclides>total</nuclides>
+      <scores>delayed-nu-fission</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="73">
+      <filters>1 79</filters>
+      <nuclides>total</nuclides>
+      <scores>decay-rate</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="74">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="75">
+      <filters>1 79 2 5</filters>
+      <nuclides>total</nuclides>
+      <scores>delayed-nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/mgxs_library_correction/inputs_true.dat b/tests/regression_tests/mgxs_library_correction/inputs_true.dat
index 8c1cd4d16..a1cc111de 100644
--- a/tests/regression_tests/mgxs_library_correction/inputs_true.dat
+++ b/tests/regression_tests/mgxs_library_correction/inputs_true.dat
@@ -1,344 +1,343 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell id="1" material="1" name="Fuel" region="-1" universe="0" />
-  <cell id="2" material="2" name="Cladding" region="1 -2" universe="0" />
-  <cell id="3" material="3" name="Water" region="2 3 -4 5 -6" universe="0" />
-  <surface coeffs="0 0 0.39218" id="1" name="Fuel OR" type="z-cylinder" />
-  <surface coeffs="0 0 0.4572" id="2" name="Clad OR" type="z-cylinder" />
-  <surface boundary="reflective" coeffs="-0.63" id="3" name="left" type="x-plane" />
-  <surface boundary="reflective" coeffs="0.63" id="4" name="right" type="x-plane" />
-  <surface boundary="reflective" coeffs="-0.63" id="5" name="bottom" type="y-plane" />
-  <surface boundary="reflective" coeffs="0.63" id="6" name="top" type="y-plane" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-  <material depletable="true" id="1" name="UO2 (2.4%)">
-    <density units="g/cm3" value="10.29769" />
-    <nuclide ao="4.4843e-06" name="U234" />
-    <nuclide ao="0.00055815" name="U235" />
-    <nuclide ao="0.022408" name="U238" />
-    <nuclide ao="0.045829" name="O16" />
-  </material>
-  <material id="2" name="Zircaloy">
-    <density units="g/cm3" value="6.55" />
-    <nuclide ao="0.021827" name="Zr90" />
-    <nuclide ao="0.00476" name="Zr91" />
-    <nuclide ao="0.0072758" name="Zr92" />
-    <nuclide ao="0.0073734" name="Zr94" />
-    <nuclide ao="0.0011879" name="Zr96" />
-  </material>
-  <material id="3" name="Hot borated water">
-    <density units="g/cm3" value="0.740582" />
-    <nuclide ao="0.049457" name="H1" />
-    <nuclide ao="0.024672" name="O16" />
-    <nuclide ao="8.0042e-06" name="B10" />
-    <nuclide ao="3.2218e-05" name="B11" />
-    <sab name="c_H_in_H2O" />
-  </material>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>eigenvalue</run_mode>
-  <particles>100</particles>
-  <batches>10</batches>
-  <inactive>5</inactive>
-  <source strength="1.0">
-    <space type="fission">
-      <parameters>-0.63 -0.63 -1 0.63 0.63 1</parameters>
-    </space>
-  </source>
-</settings>
-<?xml version='1.0' encoding='utf-8'?>
-<tallies>
-  <filter id="1" type="material">
-    <bins>1</bins>
-  </filter>
-  <filter id="2" type="energy">
-    <bins>0.0 0.625 20000000.0</bins>
-  </filter>
-  <filter id="3" type="energyout">
-    <bins>0.0 0.625 20000000.0</bins>
-  </filter>
-  <filter id="4" type="legendre">
-    <order>1</order>
-  </filter>
-  <filter id="12" type="legendre">
-    <order>0</order>
-  </filter>
-  <filter id="19" type="material">
-    <bins>2</bins>
-  </filter>
-  <filter id="37" type="material">
-    <bins>3</bins>
-  </filter>
-  <tally id="1">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="2">
-    <filters>1 2 3 4</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="3">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="4">
-    <filters>1 2 3 4</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="5">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="6">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="7">
-    <filters>1 2 3 12</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="8">
-    <filters>1 3 4</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="9">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="10">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="11">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="12">
-    <filters>1 2 3 12</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="13">
-    <filters>1 2 3</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="14">
-    <filters>1 3 4</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="15">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="16">
-    <filters>19 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="17">
-    <filters>19 2 3 4</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="18">
-    <filters>19 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="19">
-    <filters>19 2 3 4</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="20">
-    <filters>19 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="21">
-    <filters>19 2</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="22">
-    <filters>19 2 3 12</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="23">
-    <filters>19 3 4</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="24">
-    <filters>19 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="25">
-    <filters>19 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="26">
-    <filters>19 2</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="27">
-    <filters>19 2 3 12</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="28">
-    <filters>19 2 3</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="29">
-    <filters>19 3 4</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="30">
-    <filters>19 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="31">
-    <filters>37 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="32">
-    <filters>37 2 3 4</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="33">
-    <filters>37 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="34">
-    <filters>37 2 3 4</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="35">
-    <filters>37 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="36">
-    <filters>37 2</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="37">
-    <filters>37 2 3 12</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="38">
-    <filters>37 3 4</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="39">
-    <filters>37 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="40">
-    <filters>37 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="41">
-    <filters>37 2</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="42">
-    <filters>37 2 3 12</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="43">
-    <filters>37 2 3</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="44">
-    <filters>37 3 4</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="45">
-    <filters>37 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-</tallies>
+<model>
+  <materials>
+    <material depletable="true" id="1" name="UO2 (2.4%)">
+      <density units="g/cm3" value="10.29769" />
+      <nuclide ao="4.4843e-06" name="U234" />
+      <nuclide ao="0.00055815" name="U235" />
+      <nuclide ao="0.022408" name="U238" />
+      <nuclide ao="0.045829" name="O16" />
+    </material>
+    <material id="2" name="Zircaloy">
+      <density units="g/cm3" value="6.55" />
+      <nuclide ao="0.021827" name="Zr90" />
+      <nuclide ao="0.00476" name="Zr91" />
+      <nuclide ao="0.0072758" name="Zr92" />
+      <nuclide ao="0.0073734" name="Zr94" />
+      <nuclide ao="0.0011879" name="Zr96" />
+    </material>
+    <material id="3" name="Hot borated water">
+      <density units="g/cm3" value="0.740582" />
+      <nuclide ao="0.049457" name="H1" />
+      <nuclide ao="0.024672" name="O16" />
+      <nuclide ao="8.0042e-06" name="B10" />
+      <nuclide ao="3.2218e-05" name="B11" />
+      <sab name="c_H_in_H2O" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" name="Fuel" region="-1" universe="0" />
+    <cell id="2" material="2" name="Cladding" region="1 -2" universe="0" />
+    <cell id="3" material="3" name="Water" region="2 3 -4 5 -6" universe="0" />
+    <surface coeffs="0 0 0.39218" id="1" name="Fuel OR" type="z-cylinder" />
+    <surface coeffs="0 0 0.4572" id="2" name="Clad OR" type="z-cylinder" />
+    <surface boundary="reflective" coeffs="-0.63" id="3" name="left" type="x-plane" />
+    <surface boundary="reflective" coeffs="0.63" id="4" name="right" type="x-plane" />
+    <surface boundary="reflective" coeffs="-0.63" id="5" name="bottom" type="y-plane" />
+    <surface boundary="reflective" coeffs="0.63" id="6" name="top" type="y-plane" />
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>10</batches>
+    <inactive>5</inactive>
+    <source strength="1.0">
+      <space type="fission">
+        <parameters>-0.63 -0.63 -1 0.63 0.63 1</parameters>
+      </space>
+    </source>
+  </settings>
+  <tallies>
+    <filter id="1" type="material">
+      <bins>1</bins>
+    </filter>
+    <filter id="2" type="energy">
+      <bins>0.0 0.625 20000000.0</bins>
+    </filter>
+    <filter id="3" type="energyout">
+      <bins>0.0 0.625 20000000.0</bins>
+    </filter>
+    <filter id="4" type="legendre">
+      <order>1</order>
+    </filter>
+    <filter id="12" type="legendre">
+      <order>0</order>
+    </filter>
+    <filter id="19" type="material">
+      <bins>2</bins>
+    </filter>
+    <filter id="37" type="material">
+      <bins>3</bins>
+    </filter>
+    <tally id="1">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="2">
+      <filters>1 2 3 4</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="3">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="4">
+      <filters>1 2 3 4</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="5">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="6">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="7">
+      <filters>1 2 3 12</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="8">
+      <filters>1 3 4</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="9">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="10">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="11">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="12">
+      <filters>1 2 3 12</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="13">
+      <filters>1 2 3</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="14">
+      <filters>1 3 4</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="15">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="16">
+      <filters>19 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="17">
+      <filters>19 2 3 4</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="18">
+      <filters>19 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="19">
+      <filters>19 2 3 4</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="20">
+      <filters>19 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="21">
+      <filters>19 2</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="22">
+      <filters>19 2 3 12</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="23">
+      <filters>19 3 4</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="24">
+      <filters>19 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="25">
+      <filters>19 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="26">
+      <filters>19 2</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="27">
+      <filters>19 2 3 12</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="28">
+      <filters>19 2 3</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="29">
+      <filters>19 3 4</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="30">
+      <filters>19 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="31">
+      <filters>37 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="32">
+      <filters>37 2 3 4</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="33">
+      <filters>37 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="34">
+      <filters>37 2 3 4</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="35">
+      <filters>37 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="36">
+      <filters>37 2</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="37">
+      <filters>37 2 3 12</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="38">
+      <filters>37 3 4</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="39">
+      <filters>37 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="40">
+      <filters>37 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="41">
+      <filters>37 2</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="42">
+      <filters>37 2 3 12</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="43">
+      <filters>37 2 3</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="44">
+      <filters>37 3 4</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="45">
+      <filters>37 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/mgxs_library_distribcell/inputs_true.dat b/tests/regression_tests/mgxs_library_distribcell/inputs_true.dat
index bd6abbb7c..895389fb9 100644
--- a/tests/regression_tests/mgxs_library_distribcell/inputs_true.dat
+++ b/tests/regression_tests/mgxs_library_distribcell/inputs_true.dat
@@ -1,17 +1,43 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell id="1" material="1" name="fuel" region="-1" universe="1" />
-  <cell id="2" material="2" name="clad" region="1 -2" universe="1" />
-  <cell id="3" material="3" name="hot water" region="2" universe="1" />
-  <cell id="4" material="3" name="guide tube inner water" region="-1" universe="2" />
-  <cell id="5" material="2" name="guide tube clad" region="1 -2" universe="2" />
-  <cell id="6" material="3" name="guide tube outer water" region="2" universe="2" />
-  <cell fill="3" id="7" name="root cell" region="3 -4 5 -6" universe="4" />
-  <lattice id="3" name="Fuel Assembly">
-    <pitch>1.26 1.26</pitch>
-    <dimension>17 17</dimension>
-    <lower_left>-10.71 -10.71</lower_left>
-    <universes>
+<model>
+  <materials>
+    <material depletable="true" id="1" name="Fuel">
+      <density units="g/cm3" value="10.29769" />
+      <nuclide ao="4.4843e-06" name="U234" />
+      <nuclide ao="0.00055815" name="U235" />
+      <nuclide ao="0.022408" name="U238" />
+      <nuclide ao="0.045829" name="O16" />
+    </material>
+    <material id="2" name="Cladding">
+      <density units="g/cm3" value="6.55" />
+      <nuclide ao="0.021827" name="Zr90" />
+      <nuclide ao="0.00476" name="Zr91" />
+      <nuclide ao="0.0072758" name="Zr92" />
+      <nuclide ao="0.0073734" name="Zr94" />
+      <nuclide ao="0.0011879" name="Zr96" />
+    </material>
+    <material id="3" name="Hot borated water">
+      <density units="g/cm3" value="0.740582" />
+      <nuclide ao="0.049457" name="H1" />
+      <nuclide ao="0.024672" name="O16" />
+      <nuclide ao="8.0042e-06" name="B10" />
+      <nuclide ao="3.2218e-05" name="B11" />
+      <sab name="c_H_in_H2O" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" name="fuel" region="-1" universe="1" />
+    <cell id="2" material="2" name="clad" region="1 -2" universe="1" />
+    <cell id="3" material="3" name="hot water" region="2" universe="1" />
+    <cell id="4" material="3" name="guide tube inner water" region="-1" universe="2" />
+    <cell id="5" material="2" name="guide tube clad" region="1 -2" universe="2" />
+    <cell id="6" material="3" name="guide tube outer water" region="2" universe="2" />
+    <cell fill="3" id="7" name="root cell" region="3 -4 5 -6" universe="4" />
+    <lattice id="3" name="Fuel Assembly">
+      <pitch>1.26 1.26</pitch>
+      <dimension>17 17</dimension>
+      <lower_left>-10.71 -10.71</lower_left>
+      <universes>
 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 
 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 
 1 1 1 1 1 2 1 1 2 1 1 2 1 1 1 1 1 
@@ -29,514 +55,487 @@
 1 1 1 1 1 2 1 1 2 1 1 2 1 1 1 1 1 
 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 
 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 </universes>
-  </lattice>
-  <surface coeffs="0 0 0.39218" id="1" name="Fuel OR" type="z-cylinder" />
-  <surface coeffs="0 0 0.4572" id="2" name="Clad OR" type="z-cylinder" />
-  <surface boundary="reflective" coeffs="-10.71" id="3" type="x-plane" />
-  <surface boundary="reflective" coeffs="10.71" id="4" type="x-plane" />
-  <surface boundary="reflective" coeffs="-10.71" id="5" type="y-plane" />
-  <surface boundary="reflective" coeffs="10.71" id="6" type="y-plane" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-  <material depletable="true" id="1" name="Fuel">
-    <density units="g/cm3" value="10.29769" />
-    <nuclide ao="4.4843e-06" name="U234" />
-    <nuclide ao="0.00055815" name="U235" />
-    <nuclide ao="0.022408" name="U238" />
-    <nuclide ao="0.045829" name="O16" />
-  </material>
-  <material id="2" name="Cladding">
-    <density units="g/cm3" value="6.55" />
-    <nuclide ao="0.021827" name="Zr90" />
-    <nuclide ao="0.00476" name="Zr91" />
-    <nuclide ao="0.0072758" name="Zr92" />
-    <nuclide ao="0.0073734" name="Zr94" />
-    <nuclide ao="0.0011879" name="Zr96" />
-  </material>
-  <material id="3" name="Hot borated water">
-    <density units="g/cm3" value="0.740582" />
-    <nuclide ao="0.049457" name="H1" />
-    <nuclide ao="0.024672" name="O16" />
-    <nuclide ao="8.0042e-06" name="B10" />
-    <nuclide ao="3.2218e-05" name="B11" />
-    <sab name="c_H_in_H2O" />
-  </material>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>eigenvalue</run_mode>
-  <particles>100</particles>
-  <batches>10</batches>
-  <inactive>5</inactive>
-  <source strength="1.0">
-    <space type="fission">
-      <parameters>-10.71 -10.71 -1 10.71 10.71 1</parameters>
-    </space>
-  </source>
-</settings>
-<?xml version='1.0' encoding='utf-8'?>
-<tallies>
-  <filter id="1" type="distribcell">
-    <bins>1</bins>
-  </filter>
-  <filter id="2" type="energy">
-    <bins>0.0 20000000.0</bins>
-  </filter>
-  <filter id="5" type="energyout">
-    <bins>0.0 20000000.0</bins>
-  </filter>
-  <filter id="6" type="legendre">
-    <order>1</order>
-  </filter>
-  <filter id="30" type="legendre">
-    <order>3</order>
-  </filter>
-  <filter id="75" type="delayedgroup">
-    <bins>1 2 3 4 5 6</bins>
-  </filter>
-  <tally id="1">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="2">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>total</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="3">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="4">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>total</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="5">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="6">
-    <filters>1 5 6</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="7">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="8">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>total</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="9">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="10">
-    <filters>1 5 6</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="11">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="12">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>absorption</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="13">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="14">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>absorption</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="15">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>(n,2n)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="16">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>(n,3n)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="17">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>(n,4n)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="18">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="19">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>absorption</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="20">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="21">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="22">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="23">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="24">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="25">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="26">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>kappa-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="27">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="28">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="29">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="30">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="31">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="32">
-    <filters>1 2 5 30</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="33">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="34">
-    <filters>1 2 5 30</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="35">
-    <filters>1 2 5</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="36">
-    <filters>1 2 5</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="37">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="38">
-    <filters>1 2 5</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="39">
-    <filters>1 2 5</filters>
-    <nuclides>total</nuclides>
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-  <tally id="40">
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-    <estimator>tracklength</estimator>
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-  <tally id="41">
-    <filters>1 2</filters>
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-    <scores>scatter</scores>
-    <estimator>tracklength</estimator>
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-  <tally id="42">
-    <filters>1 2 5 30</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
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-  <tally id="43">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
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-  <tally id="44">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>tracklength</estimator>
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-  <tally id="45">
-    <filters>1 2 5 30</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
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-  <tally id="46">
-    <filters>1 2 5</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
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-  <tally id="47">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-fission</scores>
-    <estimator>analog</estimator>
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-  <tally id="48">
-    <filters>1 5</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-fission</scores>
-    <estimator>analog</estimator>
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-  <tally id="49">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>prompt-nu-fission</scores>
-    <estimator>analog</estimator>
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-  <tally id="50">
-    <filters>1 5</filters>
-    <nuclides>total</nuclides>
-    <scores>prompt-nu-fission</scores>
-    <estimator>analog</estimator>
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-  <tally id="51">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
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-  <tally id="52">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>inverse-velocity</scores>
-    <estimator>tracklength</estimator>
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-  <tally id="53">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
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-  <tally id="54">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>prompt-nu-fission</scores>
-    <estimator>tracklength</estimator>
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-  <tally id="55">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
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-  <tally id="56">
-    <filters>1 2 5</filters>
-    <nuclides>total</nuclides>
-    <scores>prompt-nu-fission</scores>
-    <estimator>analog</estimator>
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-  <tally id="57">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
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-  <tally id="58">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>total</scores>
-    <estimator>tracklength</estimator>
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-  <tally id="59">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
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-    <filters>1 5 6</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
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-  <tally id="61">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
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-  <tally id="62">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>total</scores>
-    <estimator>tracklength</estimator>
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-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
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-  <tally id="64">
-    <filters>1 5 6</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
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-  <tally id="65">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
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-  <tally id="66">
-    <filters>1 75 2</filters>
-    <nuclides>total</nuclides>
-    <scores>delayed-nu-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="67">
-    <filters>1 75 2</filters>
-    <nuclides>total</nuclides>
-    <scores>delayed-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="68">
-    <filters>1 75 5</filters>
-    <nuclides>total</nuclides>
-    <scores>delayed-nu-fission</scores>
-    <estimator>analog</estimator>
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-  <tally id="69">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-fission</scores>
-    <estimator>tracklength</estimator>
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-  <tally id="70">
-    <filters>1 75 2</filters>
-    <nuclides>total</nuclides>
-    <scores>delayed-nu-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="71">
-    <filters>1 75</filters>
-    <nuclides>total</nuclides>
-    <scores>delayed-nu-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="72">
-    <filters>1 75</filters>
-    <nuclides>total</nuclides>
-    <scores>decay-rate</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="73">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
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-  <tally id="74">
-    <filters>1 75 2 5</filters>
-    <nuclides>total</nuclides>
-    <scores>delayed-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-</tallies>
+    </lattice>
+    <surface coeffs="0 0 0.39218" id="1" name="Fuel OR" type="z-cylinder" />
+    <surface coeffs="0 0 0.4572" id="2" name="Clad OR" type="z-cylinder" />
+    <surface boundary="reflective" coeffs="-10.71" id="3" type="x-plane" />
+    <surface boundary="reflective" coeffs="10.71" id="4" type="x-plane" />
+    <surface boundary="reflective" coeffs="-10.71" id="5" type="y-plane" />
+    <surface boundary="reflective" coeffs="10.71" id="6" type="y-plane" />
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>10</batches>
+    <inactive>5</inactive>
+    <source strength="1.0">
+      <space type="fission">
+        <parameters>-10.71 -10.71 -1 10.71 10.71 1</parameters>
+      </space>
+    </source>
+  </settings>
+  <tallies>
+    <filter id="1" type="distribcell">
+      <bins>1</bins>
+    </filter>
+    <filter id="2" type="energy">
+      <bins>0.0 20000000.0</bins>
+    </filter>
+    <filter id="5" type="energyout">
+      <bins>0.0 20000000.0</bins>
+    </filter>
+    <filter id="6" type="legendre">
+      <order>1</order>
+    </filter>
+    <filter id="30" type="legendre">
+      <order>3</order>
+    </filter>
+    <filter id="75" type="delayedgroup">
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+    </filter>
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+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
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+      <nuclides>total</nuclides>
+      <scores>total</scores>
+      <estimator>tracklength</estimator>
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+      <nuclides>total</nuclides>
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+      <nuclides>total</nuclides>
+      <scores>total</scores>
+      <estimator>tracklength</estimator>
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+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
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+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
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+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
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+      <scores>total</scores>
+      <estimator>tracklength</estimator>
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+      <scores>flux</scores>
+      <estimator>analog</estimator>
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+      <nuclides>total</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
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+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
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+    <tally id="12">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>absorption</scores>
+      <estimator>tracklength</estimator>
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+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
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+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>absorption</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="15">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>(n,2n)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="16">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>(n,3n)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="17">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>(n,4n)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
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+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
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+      <estimator>tracklength</estimator>
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+      <nuclides>total</nuclides>
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+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="20">
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+      <nuclides>total</nuclides>
+      <scores>fission</scores>
+      <estimator>tracklength</estimator>
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+    <tally id="21">
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+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
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+      <nuclides>total</nuclides>
+      <scores>fission</scores>
+      <estimator>tracklength</estimator>
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+      <nuclides>total</nuclides>
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+      <estimator>tracklength</estimator>
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+    <tally id="24">
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+      <nuclides>total</nuclides>
+      <scores>nu-fission</scores>
+      <estimator>tracklength</estimator>
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+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
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+    <tally id="26">
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+      <nuclides>total</nuclides>
+      <scores>kappa-fission</scores>
+      <estimator>tracklength</estimator>
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+    <tally id="27">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
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+    <tally id="28">
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+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>tracklength</estimator>
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+    <tally id="29">
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+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
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+    <tally id="30">
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+      <nuclides>total</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
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+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
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+    <tally id="32">
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+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
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+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
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+      <nuclides>total</nuclides>
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+      <estimator>analog</estimator>
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+      <nuclides>total</nuclides>
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+      <estimator>analog</estimator>
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+      <scores>scatter</scores>
+      <estimator>analog</estimator>
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+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
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+      <nuclides>total</nuclides>
+      <scores>nu-fission</scores>
+      <estimator>analog</estimator>
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+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
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+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
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+      <scores>scatter</scores>
+      <estimator>tracklength</estimator>
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+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
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+      <nuclides>total</nuclides>
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+      <estimator>tracklength</estimator>
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+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>tracklength</estimator>
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+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
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+      <nuclides>total</nuclides>
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+      <estimator>analog</estimator>
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+      <nuclides>total</nuclides>
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+      <estimator>analog</estimator>
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+      <nuclides>total</nuclides>
+      <scores>nu-fission</scores>
+      <estimator>analog</estimator>
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+      <scores>prompt-nu-fission</scores>
+      <estimator>analog</estimator>
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+      <nuclides>total</nuclides>
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+      <estimator>analog</estimator>
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+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
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+    <tally id="52">
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+      <nuclides>total</nuclides>
+      <scores>inverse-velocity</scores>
+      <estimator>tracklength</estimator>
+    </tally>
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+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
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+    <tally id="54">
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+      <nuclides>total</nuclides>
+      <scores>prompt-nu-fission</scores>
+      <estimator>tracklength</estimator>
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+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
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+      <nuclides>total</nuclides>
+      <scores>prompt-nu-fission</scores>
+      <estimator>analog</estimator>
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+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
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+      <nuclides>total</nuclides>
+      <scores>total</scores>
+      <estimator>tracklength</estimator>
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+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
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+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
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+    <tally id="61">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
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+      <nuclides>total</nuclides>
+      <scores>total</scores>
+      <estimator>tracklength</estimator>
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+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
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+      <nuclides>total</nuclides>
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+      <estimator>analog</estimator>
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+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
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+      <nuclides>total</nuclides>
+      <scores>delayed-nu-fission</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="67">
+      <filters>1 75 2</filters>
+      <nuclides>total</nuclides>
+      <scores>delayed-nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="68">
+      <filters>1 75 5</filters>
+      <nuclides>total</nuclides>
+      <scores>delayed-nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="69">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-fission</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="70">
+      <filters>1 75 2</filters>
+      <nuclides>total</nuclides>
+      <scores>delayed-nu-fission</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="71">
+      <filters>1 75</filters>
+      <nuclides>total</nuclides>
+      <scores>delayed-nu-fission</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="72">
+      <filters>1 75</filters>
+      <nuclides>total</nuclides>
+      <scores>decay-rate</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="73">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="74">
+      <filters>1 75 2 5</filters>
+      <nuclides>total</nuclides>
+      <scores>delayed-nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/mgxs_library_hdf5/inputs_true.dat b/tests/regression_tests/mgxs_library_hdf5/inputs_true.dat
index cac18ffcd..c8f140f80 100644
--- a/tests/regression_tests/mgxs_library_hdf5/inputs_true.dat
+++ b/tests/regression_tests/mgxs_library_hdf5/inputs_true.dat
@@ -1,532 +1,531 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell id="1" material="1" name="Fuel" region="-1" universe="0" />
-  <cell id="2" material="2" name="Cladding" region="1 -2" universe="0" />
-  <cell id="3" material="3" name="Water" region="2 3 -4 5 -6" universe="0" />
-  <surface coeffs="0 0 0.39218" id="1" name="Fuel OR" type="z-cylinder" />
-  <surface coeffs="0 0 0.4572" id="2" name="Clad OR" type="z-cylinder" />
-  <surface boundary="reflective" coeffs="-0.63" id="3" name="left" type="x-plane" />
-  <surface boundary="reflective" coeffs="0.63" id="4" name="right" type="x-plane" />
-  <surface boundary="reflective" coeffs="-0.63" id="5" name="bottom" type="y-plane" />
-  <surface boundary="reflective" coeffs="0.63" id="6" name="top" type="y-plane" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-  <material depletable="true" id="1" name="UO2 (2.4%)">
-    <density units="g/cm3" value="10.29769" />
-    <nuclide ao="4.4843e-06" name="U234" />
-    <nuclide ao="0.00055815" name="U235" />
-    <nuclide ao="0.022408" name="U238" />
-    <nuclide ao="0.045829" name="O16" />
-  </material>
-  <material id="2" name="Zircaloy">
-    <density units="g/cm3" value="6.55" />
-    <nuclide ao="0.021827" name="Zr90" />
-    <nuclide ao="0.00476" name="Zr91" />
-    <nuclide ao="0.0072758" name="Zr92" />
-    <nuclide ao="0.0073734" name="Zr94" />
-    <nuclide ao="0.0011879" name="Zr96" />
-  </material>
-  <material id="3" name="Hot borated water">
-    <density units="g/cm3" value="0.740582" />
-    <nuclide ao="0.049457" name="H1" />
-    <nuclide ao="0.024672" name="O16" />
-    <nuclide ao="8.0042e-06" name="B10" />
-    <nuclide ao="3.2218e-05" name="B11" />
-    <sab name="c_H_in_H2O" />
-  </material>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>eigenvalue</run_mode>
-  <particles>100</particles>
-  <batches>10</batches>
-  <inactive>5</inactive>
-  <source strength="1.0">
-    <space type="fission">
-      <parameters>-0.63 -0.63 -1 0.63 0.63 1</parameters>
-    </space>
-  </source>
-</settings>
-<?xml version='1.0' encoding='utf-8'?>
-<tallies>
-  <mesh id="1">
-    <dimension>2 2</dimension>
-    <lower_left>-100.0 -100.0</lower_left>
-    <width>100.0 100.0</width>
-  </mesh>
-  <filter id="1" type="mesh">
-    <bins>1</bins>
-  </filter>
-  <filter id="2" type="energy">
-    <bins>0.0 0.625 20000000.0</bins>
-  </filter>
-  <filter id="5" type="energyout">
-    <bins>0.0 0.625 20000000.0</bins>
-  </filter>
-  <filter id="6" type="legendre">
-    <order>1</order>
-  </filter>
-  <filter id="30" type="legendre">
-    <order>3</order>
-  </filter>
-  <filter id="54" type="energy">
-    <bins>0.0 20000000.0</bins>
-  </filter>
-  <filter id="68" type="meshsurface">
-    <bins>1</bins>
-  </filter>
-  <filter id="79" type="delayedgroup">
-    <bins>1 2 3 4 5 6</bins>
-  </filter>
-  <tally id="1">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="2">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>total</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="3">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="4">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>total</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="5">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="6">
-    <filters>1 5 6</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="7">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="8">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>total</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="9">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="10">
-    <filters>1 5 6</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="11">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="12">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>absorption</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="13">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="14">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>absorption</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="15">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>(n,2n)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="16">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>(n,3n)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="17">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>(n,4n)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="18">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="19">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>absorption</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="20">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="21">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="22">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="23">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="24">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="25">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="26">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>kappa-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="27">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="28">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="29">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="30">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="31">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="32">
-    <filters>1 2 5 30</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="33">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="34">
-    <filters>1 2 5 30</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="35">
-    <filters>1 2 5</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="36">
-    <filters>1 2 5</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="37">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="38">
-    <filters>1 2 5</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="39">
-    <filters>1 2 5</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="40">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="41">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="42">
-    <filters>1 2 5 30</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="43">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="44">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="45">
-    <filters>1 2 5 30</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="46">
-    <filters>1 2 5</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="47">
-    <filters>1 54</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="48">
-    <filters>1 5</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="49">
-    <filters>1 54</filters>
-    <nuclides>total</nuclides>
-    <scores>prompt-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="50">
-    <filters>1 5</filters>
-    <nuclides>total</nuclides>
-    <scores>prompt-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="51">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="52">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>inverse-velocity</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="53">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="54">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>prompt-nu-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="55">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="56">
-    <filters>1 2 5</filters>
-    <nuclides>total</nuclides>
-    <scores>prompt-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="57">
-    <filters>68 2</filters>
-    <nuclides>total</nuclides>
-    <scores>current</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="58">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
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-  <tally id="59">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>total</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="60">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="61">
-    <filters>1 5 6</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="62">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="63">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>total</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="64">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="65">
-    <filters>1 5 6</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="66">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="67">
-    <filters>1 79 2</filters>
-    <nuclides>total</nuclides>
-    <scores>delayed-nu-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="68">
-    <filters>1 79 54</filters>
-    <nuclides>total</nuclides>
-    <scores>delayed-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="69">
-    <filters>1 79 5</filters>
-    <nuclides>total</nuclides>
-    <scores>delayed-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="70">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="71">
-    <filters>1 79 2</filters>
-    <nuclides>total</nuclides>
-    <scores>delayed-nu-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="72">
-    <filters>1 79</filters>
-    <nuclides>total</nuclides>
-    <scores>delayed-nu-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="73">
-    <filters>1 79</filters>
-    <nuclides>total</nuclides>
-    <scores>decay-rate</scores>
-    <estimator>tracklength</estimator>
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-  <tally id="74">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
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-  <tally id="75">
-    <filters>1 79 2 5</filters>
-    <nuclides>total</nuclides>
-    <scores>delayed-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-</tallies>
+<model>
+  <materials>
+    <material depletable="true" id="1" name="UO2 (2.4%)">
+      <density units="g/cm3" value="10.29769" />
+      <nuclide ao="4.4843e-06" name="U234" />
+      <nuclide ao="0.00055815" name="U235" />
+      <nuclide ao="0.022408" name="U238" />
+      <nuclide ao="0.045829" name="O16" />
+    </material>
+    <material id="2" name="Zircaloy">
+      <density units="g/cm3" value="6.55" />
+      <nuclide ao="0.021827" name="Zr90" />
+      <nuclide ao="0.00476" name="Zr91" />
+      <nuclide ao="0.0072758" name="Zr92" />
+      <nuclide ao="0.0073734" name="Zr94" />
+      <nuclide ao="0.0011879" name="Zr96" />
+    </material>
+    <material id="3" name="Hot borated water">
+      <density units="g/cm3" value="0.740582" />
+      <nuclide ao="0.049457" name="H1" />
+      <nuclide ao="0.024672" name="O16" />
+      <nuclide ao="8.0042e-06" name="B10" />
+      <nuclide ao="3.2218e-05" name="B11" />
+      <sab name="c_H_in_H2O" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" name="Fuel" region="-1" universe="0" />
+    <cell id="2" material="2" name="Cladding" region="1 -2" universe="0" />
+    <cell id="3" material="3" name="Water" region="2 3 -4 5 -6" universe="0" />
+    <surface coeffs="0 0 0.39218" id="1" name="Fuel OR" type="z-cylinder" />
+    <surface coeffs="0 0 0.4572" id="2" name="Clad OR" type="z-cylinder" />
+    <surface boundary="reflective" coeffs="-0.63" id="3" name="left" type="x-plane" />
+    <surface boundary="reflective" coeffs="0.63" id="4" name="right" type="x-plane" />
+    <surface boundary="reflective" coeffs="-0.63" id="5" name="bottom" type="y-plane" />
+    <surface boundary="reflective" coeffs="0.63" id="6" name="top" type="y-plane" />
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>10</batches>
+    <inactive>5</inactive>
+    <source strength="1.0">
+      <space type="fission">
+        <parameters>-0.63 -0.63 -1 0.63 0.63 1</parameters>
+      </space>
+    </source>
+  </settings>
+  <tallies>
+    <mesh id="1">
+      <dimension>2 2</dimension>
+      <lower_left>-100.0 -100.0</lower_left>
+      <width>100.0 100.0</width>
+    </mesh>
+    <filter id="1" type="mesh">
+      <bins>1</bins>
+    </filter>
+    <filter id="2" type="energy">
+      <bins>0.0 0.625 20000000.0</bins>
+    </filter>
+    <filter id="5" type="energyout">
+      <bins>0.0 0.625 20000000.0</bins>
+    </filter>
+    <filter id="6" type="legendre">
+      <order>1</order>
+    </filter>
+    <filter id="30" type="legendre">
+      <order>3</order>
+    </filter>
+    <filter id="54" type="energy">
+      <bins>0.0 20000000.0</bins>
+    </filter>
+    <filter id="68" type="meshsurface">
+      <bins>1</bins>
+    </filter>
+    <filter id="79" type="delayedgroup">
+      <bins>1 2 3 4 5 6</bins>
+    </filter>
+    <tally id="1">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="2">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>total</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="3">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="4">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>total</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="5">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="6">
+      <filters>1 5 6</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="7">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="8">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>total</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="9">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="10">
+      <filters>1 5 6</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="11">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="12">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>absorption</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="13">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="14">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>absorption</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="15">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>(n,2n)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="16">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>(n,3n)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="17">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>(n,4n)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="18">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="19">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>absorption</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="20">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>fission</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="21">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="22">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>fission</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="23">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="24">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-fission</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="25">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="26">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>kappa-fission</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="27">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="28">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="29">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="30">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="31">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="32">
+      <filters>1 2 5 30</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="33">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="34">
+      <filters>1 2 5 30</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="35">
+      <filters>1 2 5</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="36">
+      <filters>1 2 5</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="37">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="38">
+      <filters>1 2 5</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="39">
+      <filters>1 2 5</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="40">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="41">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="42">
+      <filters>1 2 5 30</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="43">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="44">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="45">
+      <filters>1 2 5 30</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="46">
+      <filters>1 2 5</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="47">
+      <filters>1 54</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="48">
+      <filters>1 5</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="49">
+      <filters>1 54</filters>
+      <nuclides>total</nuclides>
+      <scores>prompt-nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="50">
+      <filters>1 5</filters>
+      <nuclides>total</nuclides>
+      <scores>prompt-nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="51">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="52">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>inverse-velocity</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="53">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="54">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>prompt-nu-fission</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="55">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="56">
+      <filters>1 2 5</filters>
+      <nuclides>total</nuclides>
+      <scores>prompt-nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="57">
+      <filters>68 2</filters>
+      <nuclides>total</nuclides>
+      <scores>current</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="58">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="59">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>total</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="60">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="61">
+      <filters>1 5 6</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="62">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="63">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>total</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="64">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="65">
+      <filters>1 5 6</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="66">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="67">
+      <filters>1 79 2</filters>
+      <nuclides>total</nuclides>
+      <scores>delayed-nu-fission</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="68">
+      <filters>1 79 54</filters>
+      <nuclides>total</nuclides>
+      <scores>delayed-nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="69">
+      <filters>1 79 5</filters>
+      <nuclides>total</nuclides>
+      <scores>delayed-nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="70">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-fission</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="71">
+      <filters>1 79 2</filters>
+      <nuclides>total</nuclides>
+      <scores>delayed-nu-fission</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="72">
+      <filters>1 79</filters>
+      <nuclides>total</nuclides>
+      <scores>delayed-nu-fission</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="73">
+      <filters>1 79</filters>
+      <nuclides>total</nuclides>
+      <scores>decay-rate</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="74">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="75">
+      <filters>1 79 2 5</filters>
+      <nuclides>total</nuclides>
+      <scores>delayed-nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/mgxs_library_histogram/inputs_true.dat b/tests/regression_tests/mgxs_library_histogram/inputs_true.dat
index d1bd197a7..0ea55bb04 100644
--- a/tests/regression_tests/mgxs_library_histogram/inputs_true.dat
+++ b/tests/regression_tests/mgxs_library_histogram/inputs_true.dat
@@ -1,269 +1,268 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell id="1" material="1" name="Fuel" region="-1" universe="0" />
-  <cell id="2" material="2" name="Cladding" region="1 -2" universe="0" />
-  <cell id="3" material="3" name="Water" region="2 3 -4 5 -6" universe="0" />
-  <surface coeffs="0 0 0.39218" id="1" name="Fuel OR" type="z-cylinder" />
-  <surface coeffs="0 0 0.4572" id="2" name="Clad OR" type="z-cylinder" />
-  <surface boundary="reflective" coeffs="-0.63" id="3" name="left" type="x-plane" />
-  <surface boundary="reflective" coeffs="0.63" id="4" name="right" type="x-plane" />
-  <surface boundary="reflective" coeffs="-0.63" id="5" name="bottom" type="y-plane" />
-  <surface boundary="reflective" coeffs="0.63" id="6" name="top" type="y-plane" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-  <material depletable="true" id="1" name="UO2 (2.4%)">
-    <density units="g/cm3" value="10.29769" />
-    <nuclide ao="4.4843e-06" name="U234" />
-    <nuclide ao="0.00055815" name="U235" />
-    <nuclide ao="0.022408" name="U238" />
-    <nuclide ao="0.045829" name="O16" />
-  </material>
-  <material id="2" name="Zircaloy">
-    <density units="g/cm3" value="6.55" />
-    <nuclide ao="0.021827" name="Zr90" />
-    <nuclide ao="0.00476" name="Zr91" />
-    <nuclide ao="0.0072758" name="Zr92" />
-    <nuclide ao="0.0073734" name="Zr94" />
-    <nuclide ao="0.0011879" name="Zr96" />
-  </material>
-  <material id="3" name="Hot borated water">
-    <density units="g/cm3" value="0.740582" />
-    <nuclide ao="0.049457" name="H1" />
-    <nuclide ao="0.024672" name="O16" />
-    <nuclide ao="8.0042e-06" name="B10" />
-    <nuclide ao="3.2218e-05" name="B11" />
-    <sab name="c_H_in_H2O" />
-  </material>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>eigenvalue</run_mode>
-  <particles>100</particles>
-  <batches>10</batches>
-  <inactive>5</inactive>
-  <source strength="1.0">
-    <space type="fission">
-      <parameters>-0.63 -0.63 -1 0.63 0.63 1</parameters>
-    </space>
-  </source>
-</settings>
-<?xml version='1.0' encoding='utf-8'?>
-<tallies>
-  <filter id="1" type="material">
-    <bins>1</bins>
-  </filter>
-  <filter id="2" type="energy">
-    <bins>0.0 0.625 20000000.0</bins>
-  </filter>
-  <filter id="3" type="energyout">
-    <bins>0.0 0.625 20000000.0</bins>
-  </filter>
-  <filter id="4" type="mu">
-    <bins>-1.0 -0.8181818181818181 -0.6363636363636364 -0.4545454545454546 -0.2727272727272727 -0.09090909090909083 0.09090909090909083 0.2727272727272727 0.4545454545454546 0.6363636363636365 0.8181818181818183 1.0</bins>
-  </filter>
-  <filter id="17" type="material">
-    <bins>2</bins>
-  </filter>
-  <filter id="33" type="material">
-    <bins>3</bins>
-  </filter>
-  <tally id="1">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="2">
-    <filters>1 2 3 4</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="3">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="4">
-    <filters>1 2 3 4</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="5">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="6">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="7">
-    <filters>1 2 3 4</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="8">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="9">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="10">
-    <filters>1 2 3 4</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="11">
-    <filters>1 2 3</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="12">
-    <filters>17 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="13">
-    <filters>17 2 3 4</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="14">
-    <filters>17 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="15">
-    <filters>17 2 3 4</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="16">
-    <filters>17 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="17">
-    <filters>17 2</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="18">
-    <filters>17 2 3 4</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="19">
-    <filters>17 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="20">
-    <filters>17 2</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="21">
-    <filters>17 2 3 4</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="22">
-    <filters>17 2 3</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="23">
-    <filters>33 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="24">
-    <filters>33 2 3 4</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="25">
-    <filters>33 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="26">
-    <filters>33 2 3 4</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="27">
-    <filters>33 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="28">
-    <filters>33 2</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="29">
-    <filters>33 2 3 4</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="30">
-    <filters>33 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="31">
-    <filters>33 2</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="32">
-    <filters>33 2 3 4</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="33">
-    <filters>33 2 3</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-</tallies>
+<model>
+  <materials>
+    <material depletable="true" id="1" name="UO2 (2.4%)">
+      <density units="g/cm3" value="10.29769" />
+      <nuclide ao="4.4843e-06" name="U234" />
+      <nuclide ao="0.00055815" name="U235" />
+      <nuclide ao="0.022408" name="U238" />
+      <nuclide ao="0.045829" name="O16" />
+    </material>
+    <material id="2" name="Zircaloy">
+      <density units="g/cm3" value="6.55" />
+      <nuclide ao="0.021827" name="Zr90" />
+      <nuclide ao="0.00476" name="Zr91" />
+      <nuclide ao="0.0072758" name="Zr92" />
+      <nuclide ao="0.0073734" name="Zr94" />
+      <nuclide ao="0.0011879" name="Zr96" />
+    </material>
+    <material id="3" name="Hot borated water">
+      <density units="g/cm3" value="0.740582" />
+      <nuclide ao="0.049457" name="H1" />
+      <nuclide ao="0.024672" name="O16" />
+      <nuclide ao="8.0042e-06" name="B10" />
+      <nuclide ao="3.2218e-05" name="B11" />
+      <sab name="c_H_in_H2O" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" name="Fuel" region="-1" universe="0" />
+    <cell id="2" material="2" name="Cladding" region="1 -2" universe="0" />
+    <cell id="3" material="3" name="Water" region="2 3 -4 5 -6" universe="0" />
+    <surface coeffs="0 0 0.39218" id="1" name="Fuel OR" type="z-cylinder" />
+    <surface coeffs="0 0 0.4572" id="2" name="Clad OR" type="z-cylinder" />
+    <surface boundary="reflective" coeffs="-0.63" id="3" name="left" type="x-plane" />
+    <surface boundary="reflective" coeffs="0.63" id="4" name="right" type="x-plane" />
+    <surface boundary="reflective" coeffs="-0.63" id="5" name="bottom" type="y-plane" />
+    <surface boundary="reflective" coeffs="0.63" id="6" name="top" type="y-plane" />
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>10</batches>
+    <inactive>5</inactive>
+    <source strength="1.0">
+      <space type="fission">
+        <parameters>-0.63 -0.63 -1 0.63 0.63 1</parameters>
+      </space>
+    </source>
+  </settings>
+  <tallies>
+    <filter id="1" type="material">
+      <bins>1</bins>
+    </filter>
+    <filter id="2" type="energy">
+      <bins>0.0 0.625 20000000.0</bins>
+    </filter>
+    <filter id="3" type="energyout">
+      <bins>0.0 0.625 20000000.0</bins>
+    </filter>
+    <filter id="4" type="mu">
+      <bins>-1.0 -0.8181818181818181 -0.6363636363636364 -0.4545454545454546 -0.2727272727272727 -0.09090909090909083 0.09090909090909083 0.2727272727272727 0.4545454545454546 0.6363636363636365 0.8181818181818183 1.0</bins>
+    </filter>
+    <filter id="17" type="material">
+      <bins>2</bins>
+    </filter>
+    <filter id="33" type="material">
+      <bins>3</bins>
+    </filter>
+    <tally id="1">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="2">
+      <filters>1 2 3 4</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="3">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="4">
+      <filters>1 2 3 4</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="5">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="6">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="7">
+      <filters>1 2 3 4</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="8">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="9">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="10">
+      <filters>1 2 3 4</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="11">
+      <filters>1 2 3</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="12">
+      <filters>17 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="13">
+      <filters>17 2 3 4</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="14">
+      <filters>17 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="15">
+      <filters>17 2 3 4</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="16">
+      <filters>17 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="17">
+      <filters>17 2</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="18">
+      <filters>17 2 3 4</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="19">
+      <filters>17 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="20">
+      <filters>17 2</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="21">
+      <filters>17 2 3 4</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="22">
+      <filters>17 2 3</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="23">
+      <filters>33 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="24">
+      <filters>33 2 3 4</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="25">
+      <filters>33 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="26">
+      <filters>33 2 3 4</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="27">
+      <filters>33 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="28">
+      <filters>33 2</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="29">
+      <filters>33 2 3 4</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="30">
+      <filters>33 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="31">
+      <filters>33 2</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="32">
+      <filters>33 2 3 4</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="33">
+      <filters>33 2 3</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/mgxs_library_mesh/inputs_true.dat b/tests/regression_tests/mgxs_library_mesh/inputs_true.dat
index ac2ff0c81..b18e9773b 100644
--- a/tests/regression_tests/mgxs_library_mesh/inputs_true.dat
+++ b/tests/regression_tests/mgxs_library_mesh/inputs_true.dat
@@ -1,512 +1,511 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell id="1" material="1" region="1 -2 3 -4 10 -9" universe="1" />
-  <cell id="2" material="2" region="~(1 -2 3 -4) (5 -6 7 -8) 10 -9" universe="1" />
-  <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane" />
-  <surface coeffs="5.0" id="2" name="maximum x" type="x-plane" />
-  <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane" />
-  <surface coeffs="5.0" id="4" name="maximum y" type="y-plane" />
-  <surface boundary="reflective" coeffs="-10.0" id="5" name="minimum x" type="x-plane" />
-  <surface boundary="reflective" coeffs="10.0" id="6" name="maximum x" type="x-plane" />
-  <surface boundary="reflective" coeffs="-10.0" id="7" name="minimum y" type="y-plane" />
-  <surface boundary="reflective" coeffs="10.0" id="8" name="maximum y" type="y-plane" />
-  <surface boundary="vacuum" coeffs="10.0" id="9" type="z-plane" />
-  <surface boundary="vacuum" coeffs="-10.0" id="10" type="z-plane" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-  <material depletable="true" id="1">
-    <density units="g/cm3" value="10.0" />
-    <nuclide ao="1.0" name="U235" />
-  </material>
-  <material id="2">
-    <density units="g/cm3" value="1.0" />
-    <nuclide ao="1.0" name="Zr90" />
-  </material>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>eigenvalue</run_mode>
-  <particles>1000</particles>
-  <batches>5</batches>
-  <inactive>0</inactive>
-</settings>
-<?xml version='1.0' encoding='utf-8'?>
-<tallies>
-  <mesh id="1">
-    <dimension>2 2</dimension>
-    <lower_left>-100.0 -100.0</lower_left>
-    <width>100.0 100.0</width>
-  </mesh>
-  <filter id="1" type="mesh">
-    <bins>1</bins>
-  </filter>
-  <filter id="2" type="energy">
-    <bins>0.0 20000000.0</bins>
-  </filter>
-  <filter id="5" type="energyout">
-    <bins>0.0 20000000.0</bins>
-  </filter>
-  <filter id="6" type="legendre">
-    <order>1</order>
-  </filter>
-  <filter id="30" type="legendre">
-    <order>3</order>
-  </filter>
-  <filter id="68" type="meshsurface">
-    <bins>1</bins>
-  </filter>
-  <filter id="79" type="delayedgroup">
-    <bins>1 2 3 4 5 6</bins>
-  </filter>
-  <tally id="1">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="2">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>total</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="3">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="4">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>total</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="5">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="6">
-    <filters>1 5 6</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="7">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="8">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>total</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="9">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="10">
-    <filters>1 5 6</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="11">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="12">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>absorption</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="13">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="14">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>absorption</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="15">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>(n,2n)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="16">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>(n,3n)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="17">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>(n,4n)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="18">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="19">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>absorption</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="20">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="21">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="22">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="23">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="24">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="25">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="26">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>kappa-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="27">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="28">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="29">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
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-  <tally id="30">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="31">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="32">
-    <filters>1 2 5 30</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="33">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="34">
-    <filters>1 2 5 30</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="35">
-    <filters>1 2 5</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="36">
-    <filters>1 2 5</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="37">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="38">
-    <filters>1 2 5</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="39">
-    <filters>1 2 5</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="40">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="41">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="42">
-    <filters>1 2 5 30</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="43">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="44">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="45">
-    <filters>1 2 5 30</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="46">
-    <filters>1 2 5</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="47">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="48">
-    <filters>1 5</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="49">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>prompt-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="50">
-    <filters>1 5</filters>
-    <nuclides>total</nuclides>
-    <scores>prompt-nu-fission</scores>
-    <estimator>analog</estimator>
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-  <tally id="51">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="52">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>inverse-velocity</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="53">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="54">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>prompt-nu-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="55">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="56">
-    <filters>1 2 5</filters>
-    <nuclides>total</nuclides>
-    <scores>prompt-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="57">
-    <filters>68 2</filters>
-    <nuclides>total</nuclides>
-    <scores>current</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="58">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="59">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>total</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="60">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="61">
-    <filters>1 5 6</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="62">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="63">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>total</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="64">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="65">
-    <filters>1 5 6</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="66">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="67">
-    <filters>1 79 2</filters>
-    <nuclides>total</nuclides>
-    <scores>delayed-nu-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="68">
-    <filters>1 79 2</filters>
-    <nuclides>total</nuclides>
-    <scores>delayed-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="69">
-    <filters>1 79 5</filters>
-    <nuclides>total</nuclides>
-    <scores>delayed-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="70">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="71">
-    <filters>1 79 2</filters>
-    <nuclides>total</nuclides>
-    <scores>delayed-nu-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="72">
-    <filters>1 79</filters>
-    <nuclides>total</nuclides>
-    <scores>delayed-nu-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="73">
-    <filters>1 79</filters>
-    <nuclides>total</nuclides>
-    <scores>decay-rate</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="74">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="75">
-    <filters>1 79 2 5</filters>
-    <nuclides>total</nuclides>
-    <scores>delayed-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-</tallies>
+<model>
+  <materials>
+    <material depletable="true" id="1">
+      <density units="g/cm3" value="10.0" />
+      <nuclide ao="1.0" name="U235" />
+    </material>
+    <material id="2">
+      <density units="g/cm3" value="1.0" />
+      <nuclide ao="1.0" name="Zr90" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="1 -2 3 -4 10 -9" universe="1" />
+    <cell id="2" material="2" region="~(1 -2 3 -4) (5 -6 7 -8) 10 -9" universe="1" />
+    <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane" />
+    <surface coeffs="5.0" id="2" name="maximum x" type="x-plane" />
+    <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane" />
+    <surface coeffs="5.0" id="4" name="maximum y" type="y-plane" />
+    <surface boundary="reflective" coeffs="-10.0" id="5" name="minimum x" type="x-plane" />
+    <surface boundary="reflective" coeffs="10.0" id="6" name="maximum x" type="x-plane" />
+    <surface boundary="reflective" coeffs="-10.0" id="7" name="minimum y" type="y-plane" />
+    <surface boundary="reflective" coeffs="10.0" id="8" name="maximum y" type="y-plane" />
+    <surface boundary="vacuum" coeffs="10.0" id="9" type="z-plane" />
+    <surface boundary="vacuum" coeffs="-10.0" id="10" type="z-plane" />
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>1000</particles>
+    <batches>5</batches>
+    <inactive>0</inactive>
+  </settings>
+  <tallies>
+    <mesh id="1">
+      <dimension>2 2</dimension>
+      <lower_left>-100.0 -100.0</lower_left>
+      <width>100.0 100.0</width>
+    </mesh>
+    <filter id="1" type="mesh">
+      <bins>1</bins>
+    </filter>
+    <filter id="2" type="energy">
+      <bins>0.0 20000000.0</bins>
+    </filter>
+    <filter id="5" type="energyout">
+      <bins>0.0 20000000.0</bins>
+    </filter>
+    <filter id="6" type="legendre">
+      <order>1</order>
+    </filter>
+    <filter id="30" type="legendre">
+      <order>3</order>
+    </filter>
+    <filter id="68" type="meshsurface">
+      <bins>1</bins>
+    </filter>
+    <filter id="79" type="delayedgroup">
+      <bins>1 2 3 4 5 6</bins>
+    </filter>
+    <tally id="1">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="2">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>total</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="3">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="4">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>total</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="5">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="6">
+      <filters>1 5 6</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="7">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="8">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>total</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="9">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="10">
+      <filters>1 5 6</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="11">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="12">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>absorption</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="13">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="14">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>absorption</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="15">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>(n,2n)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="16">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>(n,3n)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="17">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>(n,4n)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="18">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="19">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>absorption</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="20">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>fission</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="21">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="22">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>fission</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="23">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="24">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-fission</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="25">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="26">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>kappa-fission</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="27">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="28">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="29">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="30">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="31">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="32">
+      <filters>1 2 5 30</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="33">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="34">
+      <filters>1 2 5 30</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="35">
+      <filters>1 2 5</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="36">
+      <filters>1 2 5</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="37">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="38">
+      <filters>1 2 5</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="39">
+      <filters>1 2 5</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="40">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="41">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="42">
+      <filters>1 2 5 30</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="43">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="44">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="45">
+      <filters>1 2 5 30</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="46">
+      <filters>1 2 5</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="47">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="48">
+      <filters>1 5</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="49">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>prompt-nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="50">
+      <filters>1 5</filters>
+      <nuclides>total</nuclides>
+      <scores>prompt-nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="51">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="52">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>inverse-velocity</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="53">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="54">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>prompt-nu-fission</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="55">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="56">
+      <filters>1 2 5</filters>
+      <nuclides>total</nuclides>
+      <scores>prompt-nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="57">
+      <filters>68 2</filters>
+      <nuclides>total</nuclides>
+      <scores>current</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="58">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="59">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>total</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="60">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="61">
+      <filters>1 5 6</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="62">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="63">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>total</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="64">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="65">
+      <filters>1 5 6</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="66">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="67">
+      <filters>1 79 2</filters>
+      <nuclides>total</nuclides>
+      <scores>delayed-nu-fission</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="68">
+      <filters>1 79 2</filters>
+      <nuclides>total</nuclides>
+      <scores>delayed-nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="69">
+      <filters>1 79 5</filters>
+      <nuclides>total</nuclides>
+      <scores>delayed-nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="70">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-fission</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="71">
+      <filters>1 79 2</filters>
+      <nuclides>total</nuclides>
+      <scores>delayed-nu-fission</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="72">
+      <filters>1 79</filters>
+      <nuclides>total</nuclides>
+      <scores>delayed-nu-fission</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="73">
+      <filters>1 79</filters>
+      <nuclides>total</nuclides>
+      <scores>decay-rate</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="74">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="75">
+      <filters>1 79 2 5</filters>
+      <nuclides>total</nuclides>
+      <scores>delayed-nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/mgxs_library_no_nuclides/inputs_true.dat b/tests/regression_tests/mgxs_library_no_nuclides/inputs_true.dat
index 59cbddec4..54d095ac6 100644
--- a/tests/regression_tests/mgxs_library_no_nuclides/inputs_true.dat
+++ b/tests/regression_tests/mgxs_library_no_nuclides/inputs_true.dat
@@ -1,1952 +1,1951 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell id="1" material="1" name="Fuel" region="-1" universe="0" />
-  <cell id="2" material="2" name="Cladding" region="1 -2" universe="0" />
-  <cell id="3" material="3" name="Water" region="2 3 -4 5 -6" universe="0" />
-  <surface coeffs="0 0 0.39218" id="1" name="Fuel OR" type="z-cylinder" />
-  <surface coeffs="0 0 0.4572" id="2" name="Clad OR" type="z-cylinder" />
-  <surface boundary="reflective" coeffs="-0.63" id="3" name="left" type="x-plane" />
-  <surface boundary="reflective" coeffs="0.63" id="4" name="right" type="x-plane" />
-  <surface boundary="reflective" coeffs="-0.63" id="5" name="bottom" type="y-plane" />
-  <surface boundary="reflective" coeffs="0.63" id="6" name="top" type="y-plane" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-  <material depletable="true" id="1" name="UO2 (2.4%)">
-    <density units="g/cm3" value="10.29769" />
-    <nuclide ao="4.4843e-06" name="U234" />
-    <nuclide ao="0.00055815" name="U235" />
-    <nuclide ao="0.022408" name="U238" />
-    <nuclide ao="0.045829" name="O16" />
-  </material>
-  <material id="2" name="Zircaloy">
-    <density units="g/cm3" value="6.55" />
-    <nuclide ao="0.021827" name="Zr90" />
-    <nuclide ao="0.00476" name="Zr91" />
-    <nuclide ao="0.0072758" name="Zr92" />
-    <nuclide ao="0.0073734" name="Zr94" />
-    <nuclide ao="0.0011879" name="Zr96" />
-  </material>
-  <material id="3" name="Hot borated water">
-    <density units="g/cm3" value="0.740582" />
-    <nuclide ao="0.049457" name="H1" />
-    <nuclide ao="0.024672" name="O16" />
-    <nuclide ao="8.0042e-06" name="B10" />
-    <nuclide ao="3.2218e-05" name="B11" />
-    <sab name="c_H_in_H2O" />
-  </material>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>eigenvalue</run_mode>
-  <particles>100</particles>
-  <batches>10</batches>
-  <inactive>5</inactive>
-  <source strength="1.0">
-    <space type="fission">
-      <parameters>-0.63 -0.63 -1 0.63 0.63 1</parameters>
-    </space>
-  </source>
-</settings>
-<?xml version='1.0' encoding='utf-8'?>
-<tallies>
-  <filter id="1" type="material">
-    <bins>1</bins>
-  </filter>
-  <filter id="2" type="energy">
-    <bins>0.0 0.625 20000000.0</bins>
-  </filter>
-  <filter id="5" type="energyout">
-    <bins>0.0 0.625 20000000.0</bins>
-  </filter>
-  <filter id="6" type="legendre">
-    <order>1</order>
-  </filter>
-  <filter id="30" type="legendre">
-    <order>3</order>
-  </filter>
-  <filter id="54" type="energy">
-    <bins>0.0 20000000.0</bins>
-  </filter>
-  <filter id="108" type="delayedgroup">
-    <bins>1 2 3 4 5 6</bins>
-  </filter>
-  <filter id="122" type="material">
-    <bins>2</bins>
-  </filter>
-  <filter id="243" type="material">
-    <bins>3</bins>
-  </filter>
-  <tally id="1">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="2">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>total</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="3">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="4">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>total</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="5">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="6">
-    <filters>1 5 6</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="7">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="8">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>total</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="9">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="10">
-    <filters>1 5 6</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="11">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="12">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>absorption</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="13">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="14">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>absorption</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="15">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>(n,2n)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="16">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>(n,3n)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="17">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>(n,4n)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="18">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="19">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>absorption</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="20">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="21">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="22">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="23">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="24">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="25">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="26">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>kappa-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="27">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="28">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="29">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="30">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="31">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="32">
-    <filters>1 2 5 30</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="33">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="34">
-    <filters>1 2 5 30</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="35">
-    <filters>1 2 5</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="36">
-    <filters>1 2 5</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="37">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="38">
-    <filters>1 2 5</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="39">
-    <filters>1 2 5</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="40">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="41">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="42">
-    <filters>1 2 5 30</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="43">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="44">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="45">
-    <filters>1 2 5 30</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="46">
-    <filters>1 2 5</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="47">
-    <filters>1 54</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="48">
-    <filters>1 5</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="49">
-    <filters>1 54</filters>
-    <nuclides>total</nuclides>
-    <scores>prompt-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="50">
-    <filters>1 5</filters>
-    <nuclides>total</nuclides>
-    <scores>prompt-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="51">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="52">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>inverse-velocity</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="53">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="54">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>prompt-nu-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="55">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="56">
-    <filters>1 2 5</filters>
-    <nuclides>total</nuclides>
-    <scores>prompt-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="57">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="58">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>total</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="59">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="60">
-    <filters>1 5 6</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="61">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="62">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>total</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="63">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="64">
-    <filters>1 5 6</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="65">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="66">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>(n,elastic)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="67">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="68">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>(n,level)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="69">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="70">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>(n,2n)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="71">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="72">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>(n,na)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="73">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="74">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>(n,nc)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="75">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="76">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>(n,gamma)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="77">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="78">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>(n,a)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="79">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="80">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>(n,Xa)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="81">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="82">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>heating</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="83">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="84">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>damage-energy</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="85">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="86">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>(n,n1)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="87">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="88">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>(n,a0)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="89">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="90">
-    <filters>1 2 5</filters>
-    <nuclides>total</nuclides>
-    <scores>(n,nc)</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="91">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="92">
-    <filters>1 2 5</filters>
-    <nuclides>total</nuclides>
-    <scores>(n,n1)</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="93">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="94">
-    <filters>1 2 5</filters>
-    <nuclides>total</nuclides>
-    <scores>(n,2n)</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="95">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="96">
-    <filters>1 108 2</filters>
-    <nuclides>total</nuclides>
-    <scores>delayed-nu-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="97">
-    <filters>1 108 54</filters>
-    <nuclides>total</nuclides>
-    <scores>delayed-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="98">
-    <filters>1 108 5</filters>
-    <nuclides>total</nuclides>
-    <scores>delayed-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="99">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="100">
-    <filters>1 108 2</filters>
-    <nuclides>total</nuclides>
-    <scores>delayed-nu-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="101">
-    <filters>1 108</filters>
-    <nuclides>total</nuclides>
-    <scores>delayed-nu-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="102">
-    <filters>1 108</filters>
-    <nuclides>total</nuclides>
-    <scores>decay-rate</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="103">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="104">
-    <filters>1 108 2 5</filters>
-    <nuclides>total</nuclides>
-    <scores>delayed-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="105">
-    <filters>122 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="106">
-    <filters>122 2</filters>
-    <nuclides>total</nuclides>
-    <scores>total</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="107">
-    <filters>122 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="108">
-    <filters>122 2</filters>
-    <nuclides>total</nuclides>
-    <scores>total</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="109">
-    <filters>122 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="110">
-    <filters>122 5 6</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="111">
-    <filters>122 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="112">
-    <filters>122 2</filters>
-    <nuclides>total</nuclides>
-    <scores>total</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="113">
-    <filters>122 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="114">
-    <filters>122 5 6</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="115">
-    <filters>122 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="116">
-    <filters>122 2</filters>
-    <nuclides>total</nuclides>
-    <scores>absorption</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="117">
-    <filters>122 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="118">
-    <filters>122 2</filters>
-    <nuclides>total</nuclides>
-    <scores>absorption</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="119">
-    <filters>122 2</filters>
-    <nuclides>total</nuclides>
-    <scores>(n,2n)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="120">
-    <filters>122 2</filters>
-    <nuclides>total</nuclides>
-    <scores>(n,3n)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="121">
-    <filters>122 2</filters>
-    <nuclides>total</nuclides>
-    <scores>(n,4n)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="122">
-    <filters>122 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="123">
-    <filters>122 2</filters>
-    <nuclides>total</nuclides>
-    <scores>absorption</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="124">
-    <filters>122 2</filters>
-    <nuclides>total</nuclides>
-    <scores>fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="125">
-    <filters>122 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="126">
-    <filters>122 2</filters>
-    <nuclides>total</nuclides>
-    <scores>fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="127">
-    <filters>122 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="128">
-    <filters>122 2</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="129">
-    <filters>122 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="130">
-    <filters>122 2</filters>
-    <nuclides>total</nuclides>
-    <scores>kappa-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="131">
-    <filters>122 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="132">
-    <filters>122 2</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="133">
-    <filters>122 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="134">
-    <filters>122 2</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="135">
-    <filters>122 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="136">
-    <filters>122 2 5 30</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="137">
-    <filters>122 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="138">
-    <filters>122 2 5 30</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="139">
-    <filters>122 2 5</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="140">
-    <filters>122 2 5</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="141">
-    <filters>122 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="142">
-    <filters>122 2 5</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="143">
-    <filters>122 2 5</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="144">
-    <filters>122 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="145">
-    <filters>122 2</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="146">
-    <filters>122 2 5 30</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="147">
-    <filters>122 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="148">
-    <filters>122 2</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="149">
-    <filters>122 2 5 30</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="150">
-    <filters>122 2 5</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="151">
-    <filters>122 54</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="152">
-    <filters>122 5</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="153">
-    <filters>122 54</filters>
-    <nuclides>total</nuclides>
-    <scores>prompt-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="154">
-    <filters>122 5</filters>
-    <nuclides>total</nuclides>
-    <scores>prompt-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="155">
-    <filters>122 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="156">
-    <filters>122 2</filters>
-    <nuclides>total</nuclides>
-    <scores>inverse-velocity</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="157">
-    <filters>122 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="158">
-    <filters>122 2</filters>
-    <nuclides>total</nuclides>
-    <scores>prompt-nu-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="159">
-    <filters>122 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="160">
-    <filters>122 2 5</filters>
-    <nuclides>total</nuclides>
-    <scores>prompt-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="161">
-    <filters>122 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="162">
-    <filters>122 2</filters>
-    <nuclides>total</nuclides>
-    <scores>total</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="163">
-    <filters>122 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="164">
-    <filters>122 5 6</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="165">
-    <filters>122 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="166">
-    <filters>122 2</filters>
-    <nuclides>total</nuclides>
-    <scores>total</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="167">
-    <filters>122 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="168">
-    <filters>122 5 6</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="169">
-    <filters>122 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="170">
-    <filters>122 2</filters>
-    <nuclides>total</nuclides>
-    <scores>(n,elastic)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="171">
-    <filters>122 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="172">
-    <filters>122 2</filters>
-    <nuclides>total</nuclides>
-    <scores>(n,level)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="173">
-    <filters>122 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="174">
-    <filters>122 2</filters>
-    <nuclides>total</nuclides>
-    <scores>(n,2n)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="175">
-    <filters>122 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="176">
-    <filters>122 2</filters>
-    <nuclides>total</nuclides>
-    <scores>(n,na)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="177">
-    <filters>122 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="178">
-    <filters>122 2</filters>
-    <nuclides>total</nuclides>
-    <scores>(n,nc)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="179">
-    <filters>122 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="180">
-    <filters>122 2</filters>
-    <nuclides>total</nuclides>
-    <scores>(n,gamma)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="181">
-    <filters>122 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="182">
-    <filters>122 2</filters>
-    <nuclides>total</nuclides>
-    <scores>(n,a)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="183">
-    <filters>122 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="184">
-    <filters>122 2</filters>
-    <nuclides>total</nuclides>
-    <scores>(n,Xa)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="185">
-    <filters>122 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="186">
-    <filters>122 2</filters>
-    <nuclides>total</nuclides>
-    <scores>heating</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="187">
-    <filters>122 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="188">
-    <filters>122 2</filters>
-    <nuclides>total</nuclides>
-    <scores>damage-energy</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="189">
-    <filters>122 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="190">
-    <filters>122 2</filters>
-    <nuclides>total</nuclides>
-    <scores>(n,n1)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="191">
-    <filters>122 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="192">
-    <filters>122 2</filters>
-    <nuclides>total</nuclides>
-    <scores>(n,a0)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="193">
-    <filters>122 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="194">
-    <filters>122 2 5</filters>
-    <nuclides>total</nuclides>
-    <scores>(n,nc)</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="195">
-    <filters>122 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="196">
-    <filters>122 2 5</filters>
-    <nuclides>total</nuclides>
-    <scores>(n,n1)</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="197">
-    <filters>122 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="198">
-    <filters>122 2 5</filters>
-    <nuclides>total</nuclides>
-    <scores>(n,2n)</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="199">
-    <filters>122 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="200">
-    <filters>122 108 2</filters>
-    <nuclides>total</nuclides>
-    <scores>delayed-nu-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="201">
-    <filters>122 108 54</filters>
-    <nuclides>total</nuclides>
-    <scores>delayed-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="202">
-    <filters>122 108 5</filters>
-    <nuclides>total</nuclides>
-    <scores>delayed-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="203">
-    <filters>122 2</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="204">
-    <filters>122 108 2</filters>
-    <nuclides>total</nuclides>
-    <scores>delayed-nu-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="205">
-    <filters>122 108</filters>
-    <nuclides>total</nuclides>
-    <scores>delayed-nu-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="206">
-    <filters>122 108</filters>
-    <nuclides>total</nuclides>
-    <scores>decay-rate</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="207">
-    <filters>122 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="208">
-    <filters>122 108 2 5</filters>
-    <nuclides>total</nuclides>
-    <scores>delayed-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="209">
-    <filters>243 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="210">
-    <filters>243 2</filters>
-    <nuclides>total</nuclides>
-    <scores>total</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="211">
-    <filters>243 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="212">
-    <filters>243 2</filters>
-    <nuclides>total</nuclides>
-    <scores>total</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="213">
-    <filters>243 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="214">
-    <filters>243 5 6</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="215">
-    <filters>243 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="216">
-    <filters>243 2</filters>
-    <nuclides>total</nuclides>
-    <scores>total</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="217">
-    <filters>243 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="218">
-    <filters>243 5 6</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="219">
-    <filters>243 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="220">
-    <filters>243 2</filters>
-    <nuclides>total</nuclides>
-    <scores>absorption</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="221">
-    <filters>243 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="222">
-    <filters>243 2</filters>
-    <nuclides>total</nuclides>
-    <scores>absorption</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="223">
-    <filters>243 2</filters>
-    <nuclides>total</nuclides>
-    <scores>(n,2n)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="224">
-    <filters>243 2</filters>
-    <nuclides>total</nuclides>
-    <scores>(n,3n)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="225">
-    <filters>243 2</filters>
-    <nuclides>total</nuclides>
-    <scores>(n,4n)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="226">
-    <filters>243 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="227">
-    <filters>243 2</filters>
-    <nuclides>total</nuclides>
-    <scores>absorption</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="228">
-    <filters>243 2</filters>
-    <nuclides>total</nuclides>
-    <scores>fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="229">
-    <filters>243 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="230">
-    <filters>243 2</filters>
-    <nuclides>total</nuclides>
-    <scores>fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="231">
-    <filters>243 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="232">
-    <filters>243 2</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="233">
-    <filters>243 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="234">
-    <filters>243 2</filters>
-    <nuclides>total</nuclides>
-    <scores>kappa-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="235">
-    <filters>243 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="236">
-    <filters>243 2</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="237">
-    <filters>243 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="238">
-    <filters>243 2</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="239">
-    <filters>243 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="240">
-    <filters>243 2 5 30</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="241">
-    <filters>243 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="242">
-    <filters>243 2 5 30</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="243">
-    <filters>243 2 5</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="244">
-    <filters>243 2 5</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="245">
-    <filters>243 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="246">
-    <filters>243 2 5</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="247">
-    <filters>243 2 5</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="248">
-    <filters>243 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="249">
-    <filters>243 2</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="250">
-    <filters>243 2 5 30</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="251">
-    <filters>243 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="252">
-    <filters>243 2</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="253">
-    <filters>243 2 5 30</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="254">
-    <filters>243 2 5</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="255">
-    <filters>243 54</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="256">
-    <filters>243 5</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="257">
-    <filters>243 54</filters>
-    <nuclides>total</nuclides>
-    <scores>prompt-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="258">
-    <filters>243 5</filters>
-    <nuclides>total</nuclides>
-    <scores>prompt-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="259">
-    <filters>243 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="260">
-    <filters>243 2</filters>
-    <nuclides>total</nuclides>
-    <scores>inverse-velocity</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="261">
-    <filters>243 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="262">
-    <filters>243 2</filters>
-    <nuclides>total</nuclides>
-    <scores>prompt-nu-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="263">
-    <filters>243 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="264">
-    <filters>243 2 5</filters>
-    <nuclides>total</nuclides>
-    <scores>prompt-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="265">
-    <filters>243 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="266">
-    <filters>243 2</filters>
-    <nuclides>total</nuclides>
-    <scores>total</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="267">
-    <filters>243 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="268">
-    <filters>243 5 6</filters>
-    <nuclides>total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="269">
-    <filters>243 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="270">
-    <filters>243 2</filters>
-    <nuclides>total</nuclides>
-    <scores>total</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="271">
-    <filters>243 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="272">
-    <filters>243 5 6</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="273">
-    <filters>243 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="274">
-    <filters>243 2</filters>
-    <nuclides>total</nuclides>
-    <scores>(n,elastic)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="275">
-    <filters>243 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="276">
-    <filters>243 2</filters>
-    <nuclides>total</nuclides>
-    <scores>(n,level)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="277">
-    <filters>243 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="278">
-    <filters>243 2</filters>
-    <nuclides>total</nuclides>
-    <scores>(n,2n)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="279">
-    <filters>243 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="280">
-    <filters>243 2</filters>
-    <nuclides>total</nuclides>
-    <scores>(n,na)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="281">
-    <filters>243 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="282">
-    <filters>243 2</filters>
-    <nuclides>total</nuclides>
-    <scores>(n,nc)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="283">
-    <filters>243 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="284">
-    <filters>243 2</filters>
-    <nuclides>total</nuclides>
-    <scores>(n,gamma)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="285">
-    <filters>243 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="286">
-    <filters>243 2</filters>
-    <nuclides>total</nuclides>
-    <scores>(n,a)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="287">
-    <filters>243 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="288">
-    <filters>243 2</filters>
-    <nuclides>total</nuclides>
-    <scores>(n,Xa)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="289">
-    <filters>243 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="290">
-    <filters>243 2</filters>
-    <nuclides>total</nuclides>
-    <scores>heating</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="291">
-    <filters>243 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="292">
-    <filters>243 2</filters>
-    <nuclides>total</nuclides>
-    <scores>damage-energy</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="293">
-    <filters>243 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="294">
-    <filters>243 2</filters>
-    <nuclides>total</nuclides>
-    <scores>(n,n1)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="295">
-    <filters>243 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="296">
-    <filters>243 2</filters>
-    <nuclides>total</nuclides>
-    <scores>(n,a0)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="297">
-    <filters>243 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="298">
-    <filters>243 2 5</filters>
-    <nuclides>total</nuclides>
-    <scores>(n,nc)</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="299">
-    <filters>243 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="300">
-    <filters>243 2 5</filters>
-    <nuclides>total</nuclides>
-    <scores>(n,n1)</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="301">
-    <filters>243 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="302">
-    <filters>243 2 5</filters>
-    <nuclides>total</nuclides>
-    <scores>(n,2n)</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="303">
-    <filters>243 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="304">
-    <filters>243 108 2</filters>
-    <nuclides>total</nuclides>
-    <scores>delayed-nu-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="305">
-    <filters>243 108 54</filters>
-    <nuclides>total</nuclides>
-    <scores>delayed-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="306">
-    <filters>243 108 5</filters>
-    <nuclides>total</nuclides>
-    <scores>delayed-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="307">
-    <filters>243 2</filters>
-    <nuclides>total</nuclides>
-    <scores>nu-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="308">
-    <filters>243 108 2</filters>
-    <nuclides>total</nuclides>
-    <scores>delayed-nu-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="309">
-    <filters>243 108</filters>
-    <nuclides>total</nuclides>
-    <scores>delayed-nu-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="310">
-    <filters>243 108</filters>
-    <nuclides>total</nuclides>
-    <scores>decay-rate</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="311">
-    <filters>243 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="312">
-    <filters>243 108 2 5</filters>
-    <nuclides>total</nuclides>
-    <scores>delayed-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-</tallies>
+<model>
+  <materials>
+    <material depletable="true" id="1" name="UO2 (2.4%)">
+      <density units="g/cm3" value="10.29769" />
+      <nuclide ao="4.4843e-06" name="U234" />
+      <nuclide ao="0.00055815" name="U235" />
+      <nuclide ao="0.022408" name="U238" />
+      <nuclide ao="0.045829" name="O16" />
+    </material>
+    <material id="2" name="Zircaloy">
+      <density units="g/cm3" value="6.55" />
+      <nuclide ao="0.021827" name="Zr90" />
+      <nuclide ao="0.00476" name="Zr91" />
+      <nuclide ao="0.0072758" name="Zr92" />
+      <nuclide ao="0.0073734" name="Zr94" />
+      <nuclide ao="0.0011879" name="Zr96" />
+    </material>
+    <material id="3" name="Hot borated water">
+      <density units="g/cm3" value="0.740582" />
+      <nuclide ao="0.049457" name="H1" />
+      <nuclide ao="0.024672" name="O16" />
+      <nuclide ao="8.0042e-06" name="B10" />
+      <nuclide ao="3.2218e-05" name="B11" />
+      <sab name="c_H_in_H2O" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" name="Fuel" region="-1" universe="0" />
+    <cell id="2" material="2" name="Cladding" region="1 -2" universe="0" />
+    <cell id="3" material="3" name="Water" region="2 3 -4 5 -6" universe="0" />
+    <surface coeffs="0 0 0.39218" id="1" name="Fuel OR" type="z-cylinder" />
+    <surface coeffs="0 0 0.4572" id="2" name="Clad OR" type="z-cylinder" />
+    <surface boundary="reflective" coeffs="-0.63" id="3" name="left" type="x-plane" />
+    <surface boundary="reflective" coeffs="0.63" id="4" name="right" type="x-plane" />
+    <surface boundary="reflective" coeffs="-0.63" id="5" name="bottom" type="y-plane" />
+    <surface boundary="reflective" coeffs="0.63" id="6" name="top" type="y-plane" />
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>10</batches>
+    <inactive>5</inactive>
+    <source strength="1.0">
+      <space type="fission">
+        <parameters>-0.63 -0.63 -1 0.63 0.63 1</parameters>
+      </space>
+    </source>
+  </settings>
+  <tallies>
+    <filter id="1" type="material">
+      <bins>1</bins>
+    </filter>
+    <filter id="2" type="energy">
+      <bins>0.0 0.625 20000000.0</bins>
+    </filter>
+    <filter id="5" type="energyout">
+      <bins>0.0 0.625 20000000.0</bins>
+    </filter>
+    <filter id="6" type="legendre">
+      <order>1</order>
+    </filter>
+    <filter id="30" type="legendre">
+      <order>3</order>
+    </filter>
+    <filter id="54" type="energy">
+      <bins>0.0 20000000.0</bins>
+    </filter>
+    <filter id="108" type="delayedgroup">
+      <bins>1 2 3 4 5 6</bins>
+    </filter>
+    <filter id="122" type="material">
+      <bins>2</bins>
+    </filter>
+    <filter id="243" type="material">
+      <bins>3</bins>
+    </filter>
+    <tally id="1">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="2">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>total</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="3">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="4">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>total</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="5">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="6">
+      <filters>1 5 6</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="7">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="8">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>total</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="9">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="10">
+      <filters>1 5 6</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="11">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="12">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>absorption</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="13">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="14">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>absorption</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="15">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>(n,2n)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="16">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>(n,3n)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="17">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>(n,4n)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="18">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="19">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>absorption</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="20">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>fission</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="21">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="22">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>fission</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="23">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="24">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-fission</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="25">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="26">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>kappa-fission</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="27">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="28">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="29">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="30">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="31">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="32">
+      <filters>1 2 5 30</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="33">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="34">
+      <filters>1 2 5 30</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="35">
+      <filters>1 2 5</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="36">
+      <filters>1 2 5</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="37">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="38">
+      <filters>1 2 5</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="39">
+      <filters>1 2 5</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="40">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="41">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="42">
+      <filters>1 2 5 30</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="43">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="44">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="45">
+      <filters>1 2 5 30</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="46">
+      <filters>1 2 5</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="47">
+      <filters>1 54</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="48">
+      <filters>1 5</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="49">
+      <filters>1 54</filters>
+      <nuclides>total</nuclides>
+      <scores>prompt-nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="50">
+      <filters>1 5</filters>
+      <nuclides>total</nuclides>
+      <scores>prompt-nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="51">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="52">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>inverse-velocity</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="53">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="54">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>prompt-nu-fission</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="55">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="56">
+      <filters>1 2 5</filters>
+      <nuclides>total</nuclides>
+      <scores>prompt-nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="57">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="58">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>total</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="59">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="60">
+      <filters>1 5 6</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="61">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="62">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>total</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="63">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="64">
+      <filters>1 5 6</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="65">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="66">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>(n,elastic)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="67">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="68">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>(n,level)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="69">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="70">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>(n,2n)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="71">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="72">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>(n,na)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="73">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="74">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>(n,nc)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="75">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="76">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>(n,gamma)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="77">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="78">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>(n,a)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="79">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="80">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>(n,Xa)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="81">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="82">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>heating</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="83">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="84">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>damage-energy</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="85">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="86">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>(n,n1)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="87">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="88">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>(n,a0)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="89">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="90">
+      <filters>1 2 5</filters>
+      <nuclides>total</nuclides>
+      <scores>(n,nc)</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="91">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="92">
+      <filters>1 2 5</filters>
+      <nuclides>total</nuclides>
+      <scores>(n,n1)</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="93">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="94">
+      <filters>1 2 5</filters>
+      <nuclides>total</nuclides>
+      <scores>(n,2n)</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="95">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="96">
+      <filters>1 108 2</filters>
+      <nuclides>total</nuclides>
+      <scores>delayed-nu-fission</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="97">
+      <filters>1 108 54</filters>
+      <nuclides>total</nuclides>
+      <scores>delayed-nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="98">
+      <filters>1 108 5</filters>
+      <nuclides>total</nuclides>
+      <scores>delayed-nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="99">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-fission</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="100">
+      <filters>1 108 2</filters>
+      <nuclides>total</nuclides>
+      <scores>delayed-nu-fission</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="101">
+      <filters>1 108</filters>
+      <nuclides>total</nuclides>
+      <scores>delayed-nu-fission</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="102">
+      <filters>1 108</filters>
+      <nuclides>total</nuclides>
+      <scores>decay-rate</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="103">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="104">
+      <filters>1 108 2 5</filters>
+      <nuclides>total</nuclides>
+      <scores>delayed-nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="105">
+      <filters>122 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="106">
+      <filters>122 2</filters>
+      <nuclides>total</nuclides>
+      <scores>total</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="107">
+      <filters>122 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="108">
+      <filters>122 2</filters>
+      <nuclides>total</nuclides>
+      <scores>total</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="109">
+      <filters>122 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="110">
+      <filters>122 5 6</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="111">
+      <filters>122 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="112">
+      <filters>122 2</filters>
+      <nuclides>total</nuclides>
+      <scores>total</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="113">
+      <filters>122 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="114">
+      <filters>122 5 6</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="115">
+      <filters>122 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="116">
+      <filters>122 2</filters>
+      <nuclides>total</nuclides>
+      <scores>absorption</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="117">
+      <filters>122 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="118">
+      <filters>122 2</filters>
+      <nuclides>total</nuclides>
+      <scores>absorption</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="119">
+      <filters>122 2</filters>
+      <nuclides>total</nuclides>
+      <scores>(n,2n)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="120">
+      <filters>122 2</filters>
+      <nuclides>total</nuclides>
+      <scores>(n,3n)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="121">
+      <filters>122 2</filters>
+      <nuclides>total</nuclides>
+      <scores>(n,4n)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="122">
+      <filters>122 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="123">
+      <filters>122 2</filters>
+      <nuclides>total</nuclides>
+      <scores>absorption</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="124">
+      <filters>122 2</filters>
+      <nuclides>total</nuclides>
+      <scores>fission</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="125">
+      <filters>122 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="126">
+      <filters>122 2</filters>
+      <nuclides>total</nuclides>
+      <scores>fission</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="127">
+      <filters>122 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="128">
+      <filters>122 2</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-fission</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="129">
+      <filters>122 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="130">
+      <filters>122 2</filters>
+      <nuclides>total</nuclides>
+      <scores>kappa-fission</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="131">
+      <filters>122 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="132">
+      <filters>122 2</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="133">
+      <filters>122 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="134">
+      <filters>122 2</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="135">
+      <filters>122 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="136">
+      <filters>122 2 5 30</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="137">
+      <filters>122 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="138">
+      <filters>122 2 5 30</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="139">
+      <filters>122 2 5</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="140">
+      <filters>122 2 5</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="141">
+      <filters>122 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="142">
+      <filters>122 2 5</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="143">
+      <filters>122 2 5</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="144">
+      <filters>122 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="145">
+      <filters>122 2</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="146">
+      <filters>122 2 5 30</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="147">
+      <filters>122 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="148">
+      <filters>122 2</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="149">
+      <filters>122 2 5 30</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="150">
+      <filters>122 2 5</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="151">
+      <filters>122 54</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="152">
+      <filters>122 5</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="153">
+      <filters>122 54</filters>
+      <nuclides>total</nuclides>
+      <scores>prompt-nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="154">
+      <filters>122 5</filters>
+      <nuclides>total</nuclides>
+      <scores>prompt-nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="155">
+      <filters>122 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="156">
+      <filters>122 2</filters>
+      <nuclides>total</nuclides>
+      <scores>inverse-velocity</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="157">
+      <filters>122 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="158">
+      <filters>122 2</filters>
+      <nuclides>total</nuclides>
+      <scores>prompt-nu-fission</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="159">
+      <filters>122 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="160">
+      <filters>122 2 5</filters>
+      <nuclides>total</nuclides>
+      <scores>prompt-nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="161">
+      <filters>122 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="162">
+      <filters>122 2</filters>
+      <nuclides>total</nuclides>
+      <scores>total</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="163">
+      <filters>122 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="164">
+      <filters>122 5 6</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="165">
+      <filters>122 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="166">
+      <filters>122 2</filters>
+      <nuclides>total</nuclides>
+      <scores>total</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="167">
+      <filters>122 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="168">
+      <filters>122 5 6</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="169">
+      <filters>122 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="170">
+      <filters>122 2</filters>
+      <nuclides>total</nuclides>
+      <scores>(n,elastic)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="171">
+      <filters>122 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="172">
+      <filters>122 2</filters>
+      <nuclides>total</nuclides>
+      <scores>(n,level)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="173">
+      <filters>122 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="174">
+      <filters>122 2</filters>
+      <nuclides>total</nuclides>
+      <scores>(n,2n)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="175">
+      <filters>122 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="176">
+      <filters>122 2</filters>
+      <nuclides>total</nuclides>
+      <scores>(n,na)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="177">
+      <filters>122 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="178">
+      <filters>122 2</filters>
+      <nuclides>total</nuclides>
+      <scores>(n,nc)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="179">
+      <filters>122 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="180">
+      <filters>122 2</filters>
+      <nuclides>total</nuclides>
+      <scores>(n,gamma)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="181">
+      <filters>122 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="182">
+      <filters>122 2</filters>
+      <nuclides>total</nuclides>
+      <scores>(n,a)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="183">
+      <filters>122 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="184">
+      <filters>122 2</filters>
+      <nuclides>total</nuclides>
+      <scores>(n,Xa)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="185">
+      <filters>122 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="186">
+      <filters>122 2</filters>
+      <nuclides>total</nuclides>
+      <scores>heating</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="187">
+      <filters>122 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="188">
+      <filters>122 2</filters>
+      <nuclides>total</nuclides>
+      <scores>damage-energy</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="189">
+      <filters>122 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="190">
+      <filters>122 2</filters>
+      <nuclides>total</nuclides>
+      <scores>(n,n1)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="191">
+      <filters>122 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="192">
+      <filters>122 2</filters>
+      <nuclides>total</nuclides>
+      <scores>(n,a0)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="193">
+      <filters>122 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="194">
+      <filters>122 2 5</filters>
+      <nuclides>total</nuclides>
+      <scores>(n,nc)</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="195">
+      <filters>122 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="196">
+      <filters>122 2 5</filters>
+      <nuclides>total</nuclides>
+      <scores>(n,n1)</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="197">
+      <filters>122 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="198">
+      <filters>122 2 5</filters>
+      <nuclides>total</nuclides>
+      <scores>(n,2n)</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="199">
+      <filters>122 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="200">
+      <filters>122 108 2</filters>
+      <nuclides>total</nuclides>
+      <scores>delayed-nu-fission</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="201">
+      <filters>122 108 54</filters>
+      <nuclides>total</nuclides>
+      <scores>delayed-nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="202">
+      <filters>122 108 5</filters>
+      <nuclides>total</nuclides>
+      <scores>delayed-nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="203">
+      <filters>122 2</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-fission</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="204">
+      <filters>122 108 2</filters>
+      <nuclides>total</nuclides>
+      <scores>delayed-nu-fission</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="205">
+      <filters>122 108</filters>
+      <nuclides>total</nuclides>
+      <scores>delayed-nu-fission</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="206">
+      <filters>122 108</filters>
+      <nuclides>total</nuclides>
+      <scores>decay-rate</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="207">
+      <filters>122 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="208">
+      <filters>122 108 2 5</filters>
+      <nuclides>total</nuclides>
+      <scores>delayed-nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="209">
+      <filters>243 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="210">
+      <filters>243 2</filters>
+      <nuclides>total</nuclides>
+      <scores>total</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="211">
+      <filters>243 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="212">
+      <filters>243 2</filters>
+      <nuclides>total</nuclides>
+      <scores>total</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="213">
+      <filters>243 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="214">
+      <filters>243 5 6</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="215">
+      <filters>243 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="216">
+      <filters>243 2</filters>
+      <nuclides>total</nuclides>
+      <scores>total</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="217">
+      <filters>243 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="218">
+      <filters>243 5 6</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="219">
+      <filters>243 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="220">
+      <filters>243 2</filters>
+      <nuclides>total</nuclides>
+      <scores>absorption</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="221">
+      <filters>243 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="222">
+      <filters>243 2</filters>
+      <nuclides>total</nuclides>
+      <scores>absorption</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="223">
+      <filters>243 2</filters>
+      <nuclides>total</nuclides>
+      <scores>(n,2n)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="224">
+      <filters>243 2</filters>
+      <nuclides>total</nuclides>
+      <scores>(n,3n)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="225">
+      <filters>243 2</filters>
+      <nuclides>total</nuclides>
+      <scores>(n,4n)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="226">
+      <filters>243 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="227">
+      <filters>243 2</filters>
+      <nuclides>total</nuclides>
+      <scores>absorption</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="228">
+      <filters>243 2</filters>
+      <nuclides>total</nuclides>
+      <scores>fission</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="229">
+      <filters>243 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="230">
+      <filters>243 2</filters>
+      <nuclides>total</nuclides>
+      <scores>fission</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="231">
+      <filters>243 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="232">
+      <filters>243 2</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-fission</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="233">
+      <filters>243 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="234">
+      <filters>243 2</filters>
+      <nuclides>total</nuclides>
+      <scores>kappa-fission</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="235">
+      <filters>243 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="236">
+      <filters>243 2</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="237">
+      <filters>243 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="238">
+      <filters>243 2</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="239">
+      <filters>243 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="240">
+      <filters>243 2 5 30</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="241">
+      <filters>243 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="242">
+      <filters>243 2 5 30</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="243">
+      <filters>243 2 5</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="244">
+      <filters>243 2 5</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="245">
+      <filters>243 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="246">
+      <filters>243 2 5</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="247">
+      <filters>243 2 5</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="248">
+      <filters>243 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="249">
+      <filters>243 2</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="250">
+      <filters>243 2 5 30</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="251">
+      <filters>243 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="252">
+      <filters>243 2</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="253">
+      <filters>243 2 5 30</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="254">
+      <filters>243 2 5</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="255">
+      <filters>243 54</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="256">
+      <filters>243 5</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="257">
+      <filters>243 54</filters>
+      <nuclides>total</nuclides>
+      <scores>prompt-nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="258">
+      <filters>243 5</filters>
+      <nuclides>total</nuclides>
+      <scores>prompt-nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="259">
+      <filters>243 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="260">
+      <filters>243 2</filters>
+      <nuclides>total</nuclides>
+      <scores>inverse-velocity</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="261">
+      <filters>243 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="262">
+      <filters>243 2</filters>
+      <nuclides>total</nuclides>
+      <scores>prompt-nu-fission</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="263">
+      <filters>243 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="264">
+      <filters>243 2 5</filters>
+      <nuclides>total</nuclides>
+      <scores>prompt-nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="265">
+      <filters>243 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="266">
+      <filters>243 2</filters>
+      <nuclides>total</nuclides>
+      <scores>total</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="267">
+      <filters>243 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="268">
+      <filters>243 5 6</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="269">
+      <filters>243 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="270">
+      <filters>243 2</filters>
+      <nuclides>total</nuclides>
+      <scores>total</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="271">
+      <filters>243 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="272">
+      <filters>243 5 6</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="273">
+      <filters>243 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="274">
+      <filters>243 2</filters>
+      <nuclides>total</nuclides>
+      <scores>(n,elastic)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="275">
+      <filters>243 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="276">
+      <filters>243 2</filters>
+      <nuclides>total</nuclides>
+      <scores>(n,level)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="277">
+      <filters>243 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="278">
+      <filters>243 2</filters>
+      <nuclides>total</nuclides>
+      <scores>(n,2n)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="279">
+      <filters>243 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="280">
+      <filters>243 2</filters>
+      <nuclides>total</nuclides>
+      <scores>(n,na)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="281">
+      <filters>243 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="282">
+      <filters>243 2</filters>
+      <nuclides>total</nuclides>
+      <scores>(n,nc)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="283">
+      <filters>243 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="284">
+      <filters>243 2</filters>
+      <nuclides>total</nuclides>
+      <scores>(n,gamma)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="285">
+      <filters>243 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="286">
+      <filters>243 2</filters>
+      <nuclides>total</nuclides>
+      <scores>(n,a)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="287">
+      <filters>243 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="288">
+      <filters>243 2</filters>
+      <nuclides>total</nuclides>
+      <scores>(n,Xa)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="289">
+      <filters>243 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="290">
+      <filters>243 2</filters>
+      <nuclides>total</nuclides>
+      <scores>heating</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="291">
+      <filters>243 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="292">
+      <filters>243 2</filters>
+      <nuclides>total</nuclides>
+      <scores>damage-energy</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="293">
+      <filters>243 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="294">
+      <filters>243 2</filters>
+      <nuclides>total</nuclides>
+      <scores>(n,n1)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="295">
+      <filters>243 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="296">
+      <filters>243 2</filters>
+      <nuclides>total</nuclides>
+      <scores>(n,a0)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="297">
+      <filters>243 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="298">
+      <filters>243 2 5</filters>
+      <nuclides>total</nuclides>
+      <scores>(n,nc)</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="299">
+      <filters>243 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="300">
+      <filters>243 2 5</filters>
+      <nuclides>total</nuclides>
+      <scores>(n,n1)</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="301">
+      <filters>243 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="302">
+      <filters>243 2 5</filters>
+      <nuclides>total</nuclides>
+      <scores>(n,2n)</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="303">
+      <filters>243 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="304">
+      <filters>243 108 2</filters>
+      <nuclides>total</nuclides>
+      <scores>delayed-nu-fission</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="305">
+      <filters>243 108 54</filters>
+      <nuclides>total</nuclides>
+      <scores>delayed-nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="306">
+      <filters>243 108 5</filters>
+      <nuclides>total</nuclides>
+      <scores>delayed-nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="307">
+      <filters>243 2</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-fission</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="308">
+      <filters>243 108 2</filters>
+      <nuclides>total</nuclides>
+      <scores>delayed-nu-fission</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="309">
+      <filters>243 108</filters>
+      <nuclides>total</nuclides>
+      <scores>delayed-nu-fission</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="310">
+      <filters>243 108</filters>
+      <nuclides>total</nuclides>
+      <scores>decay-rate</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="311">
+      <filters>243 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="312">
+      <filters>243 108 2 5</filters>
+      <nuclides>total</nuclides>
+      <scores>delayed-nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/mgxs_library_nuclides/inputs_true.dat b/tests/regression_tests/mgxs_library_nuclides/inputs_true.dat
index e45fe389e..5e9720ced 100644
--- a/tests/regression_tests/mgxs_library_nuclides/inputs_true.dat
+++ b/tests/regression_tests/mgxs_library_nuclides/inputs_true.dat
@@ -1,1769 +1,1768 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell id="1" material="1" name="Fuel" region="-1" universe="0" />
-  <cell id="2" material="2" name="Cladding" region="1 -2" universe="0" />
-  <cell id="3" material="3" name="Water" region="2 3 -4 5 -6" universe="0" />
-  <surface coeffs="0 0 0.39218" id="1" name="Fuel OR" type="z-cylinder" />
-  <surface coeffs="0 0 0.4572" id="2" name="Clad OR" type="z-cylinder" />
-  <surface boundary="reflective" coeffs="-0.63" id="3" name="left" type="x-plane" />
-  <surface boundary="reflective" coeffs="0.63" id="4" name="right" type="x-plane" />
-  <surface boundary="reflective" coeffs="-0.63" id="5" name="bottom" type="y-plane" />
-  <surface boundary="reflective" coeffs="0.63" id="6" name="top" type="y-plane" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-  <material depletable="true" id="1" name="UO2 (2.4%)">
-    <density units="g/cm3" value="10.29769" />
-    <nuclide ao="4.4843e-06" name="U234" />
-    <nuclide ao="0.00055815" name="U235" />
-    <nuclide ao="0.022408" name="U238" />
-    <nuclide ao="0.045829" name="O16" />
-  </material>
-  <material id="2" name="Zircaloy">
-    <density units="g/cm3" value="6.55" />
-    <nuclide ao="0.021827" name="Zr90" />
-    <nuclide ao="0.00476" name="Zr91" />
-    <nuclide ao="0.0072758" name="Zr92" />
-    <nuclide ao="0.0073734" name="Zr94" />
-    <nuclide ao="0.0011879" name="Zr96" />
-  </material>
-  <material id="3" name="Hot borated water">
-    <density units="g/cm3" value="0.740582" />
-    <nuclide ao="0.049457" name="H1" />
-    <nuclide ao="0.024672" name="O16" />
-    <nuclide ao="8.0042e-06" name="B10" />
-    <nuclide ao="3.2218e-05" name="B11" />
-    <sab name="c_H_in_H2O" />
-  </material>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>eigenvalue</run_mode>
-  <particles>100</particles>
-  <batches>10</batches>
-  <inactive>5</inactive>
-  <source strength="1.0">
-    <space type="fission">
-      <parameters>-0.63 -0.63 -1 0.63 0.63 1</parameters>
-    </space>
-  </source>
-</settings>
-<?xml version='1.0' encoding='utf-8'?>
-<tallies>
-  <filter id="1" type="material">
-    <bins>1</bins>
-  </filter>
-  <filter id="2" type="energy">
-    <bins>0.0 0.625 20000000.0</bins>
-  </filter>
-  <filter id="5" type="energyout">
-    <bins>0.0 0.625 20000000.0</bins>
-  </filter>
-  <filter id="6" type="legendre">
-    <order>1</order>
-  </filter>
-  <filter id="30" type="legendre">
-    <order>3</order>
-  </filter>
-  <filter id="54" type="energy">
-    <bins>0.0 20000000.0</bins>
-  </filter>
-  <filter id="106" type="material">
-    <bins>2</bins>
-  </filter>
-  <filter id="211" type="material">
-    <bins>3</bins>
-  </filter>
-  <tally id="1">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="2">
-    <filters>1 2</filters>
-    <nuclides>U234 U235 U238 O16</nuclides>
-    <scores>total</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="3">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="4">
-    <filters>1 2</filters>
-    <nuclides>U234 U235 U238 O16</nuclides>
-    <scores>total</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="5">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="6">
-    <filters>1 5 6</filters>
-    <nuclides>U234 U235 U238 O16</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="7">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="8">
-    <filters>1 2</filters>
-    <nuclides>U234 U235 U238 O16</nuclides>
-    <scores>total</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="9">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="10">
-    <filters>1 5 6</filters>
-    <nuclides>U234 U235 U238 O16</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="11">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="12">
-    <filters>1 2</filters>
-    <nuclides>U234 U235 U238 O16</nuclides>
-    <scores>absorption</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="13">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="14">
-    <filters>1 2</filters>
-    <nuclides>U234 U235 U238 O16</nuclides>
-    <scores>absorption</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="15">
-    <filters>1 2</filters>
-    <nuclides>U234 U235 U238 O16</nuclides>
-    <scores>(n,2n)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="16">
-    <filters>1 2</filters>
-    <nuclides>U234 U235 U238 O16</nuclides>
-    <scores>(n,3n)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="17">
-    <filters>1 2</filters>
-    <nuclides>U234 U235 U238 O16</nuclides>
-    <scores>(n,4n)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="18">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="19">
-    <filters>1 2</filters>
-    <nuclides>U234 U235 U238 O16</nuclides>
-    <scores>absorption</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="20">
-    <filters>1 2</filters>
-    <nuclides>U234 U235 U238 O16</nuclides>
-    <scores>fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="21">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="22">
-    <filters>1 2</filters>
-    <nuclides>U234 U235 U238 O16</nuclides>
-    <scores>fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="23">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="24">
-    <filters>1 2</filters>
-    <nuclides>U234 U235 U238 O16</nuclides>
-    <scores>nu-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="25">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="26">
-    <filters>1 2</filters>
-    <nuclides>U234 U235 U238 O16</nuclides>
-    <scores>kappa-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="27">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="28">
-    <filters>1 2</filters>
-    <nuclides>U234 U235 U238 O16</nuclides>
-    <scores>scatter</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="29">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="30">
-    <filters>1 2</filters>
-    <nuclides>U234 U235 U238 O16</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="31">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="32">
-    <filters>1 2 5 30</filters>
-    <nuclides>U234 U235 U238 O16</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="33">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="34">
-    <filters>1 2 5 30</filters>
-    <nuclides>U234 U235 U238 O16</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="35">
-    <filters>1 2 5</filters>
-    <nuclides>U234 U235 U238 O16</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="36">
-    <filters>1 2 5</filters>
-    <nuclides>U234 U235 U238 O16</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="37">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="38">
-    <filters>1 2 5</filters>
-    <nuclides>U234 U235 U238 O16</nuclides>
-    <scores>nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="39">
-    <filters>1 2 5</filters>
-    <nuclides>U234 U235 U238 O16</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="40">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="41">
-    <filters>1 2</filters>
-    <nuclides>U234 U235 U238 O16</nuclides>
-    <scores>scatter</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="42">
-    <filters>1 2 5 30</filters>
-    <nuclides>U234 U235 U238 O16</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="43">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="44">
-    <filters>1 2</filters>
-    <nuclides>U234 U235 U238 O16</nuclides>
-    <scores>scatter</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="45">
-    <filters>1 2 5 30</filters>
-    <nuclides>U234 U235 U238 O16</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="46">
-    <filters>1 2 5</filters>
-    <nuclides>U234 U235 U238 O16</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="47">
-    <filters>1 54</filters>
-    <nuclides>U234 U235 U238 O16</nuclides>
-    <scores>nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="48">
-    <filters>1 5</filters>
-    <nuclides>U234 U235 U238 O16</nuclides>
-    <scores>nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="49">
-    <filters>1 54</filters>
-    <nuclides>U234 U235 U238 O16</nuclides>
-    <scores>prompt-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="50">
-    <filters>1 5</filters>
-    <nuclides>U234 U235 U238 O16</nuclides>
-    <scores>prompt-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="51">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="52">
-    <filters>1 2</filters>
-    <nuclides>U234 U235 U238 O16</nuclides>
-    <scores>inverse-velocity</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="53">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="54">
-    <filters>1 2</filters>
-    <nuclides>U234 U235 U238 O16</nuclides>
-    <scores>prompt-nu-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="55">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="56">
-    <filters>1 2 5</filters>
-    <nuclides>U234 U235 U238 O16</nuclides>
-    <scores>prompt-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="57">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="58">
-    <filters>1 2</filters>
-    <nuclides>U234 U235 U238 O16</nuclides>
-    <scores>total</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="59">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="60">
-    <filters>1 5 6</filters>
-    <nuclides>U234 U235 U238 O16</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="61">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="62">
-    <filters>1 2</filters>
-    <nuclides>U234 U235 U238 O16</nuclides>
-    <scores>total</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="63">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="64">
-    <filters>1 5 6</filters>
-    <nuclides>U234 U235 U238 O16</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="65">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="66">
-    <filters>1 2</filters>
-    <nuclides>U234 U235 U238 O16</nuclides>
-    <scores>(n,elastic)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="67">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="68">
-    <filters>1 2</filters>
-    <nuclides>U234 U235 U238 O16</nuclides>
-    <scores>(n,level)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="69">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="70">
-    <filters>1 2</filters>
-    <nuclides>U234 U235 U238 O16</nuclides>
-    <scores>(n,2n)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="71">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="72">
-    <filters>1 2</filters>
-    <nuclides>U234 U235 U238 O16</nuclides>
-    <scores>(n,na)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="73">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="74">
-    <filters>1 2</filters>
-    <nuclides>U234 U235 U238 O16</nuclides>
-    <scores>(n,nc)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="75">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="76">
-    <filters>1 2</filters>
-    <nuclides>U234 U235 U238 O16</nuclides>
-    <scores>(n,gamma)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="77">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="78">
-    <filters>1 2</filters>
-    <nuclides>U234 U235 U238 O16</nuclides>
-    <scores>(n,a)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="79">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="80">
-    <filters>1 2</filters>
-    <nuclides>U234 U235 U238 O16</nuclides>
-    <scores>(n,Xa)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="81">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="82">
-    <filters>1 2</filters>
-    <nuclides>U234 U235 U238 O16</nuclides>
-    <scores>heating</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="83">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="84">
-    <filters>1 2</filters>
-    <nuclides>U234 U235 U238 O16</nuclides>
-    <scores>damage-energy</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="85">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="86">
-    <filters>1 2</filters>
-    <nuclides>U234 U235 U238 O16</nuclides>
-    <scores>(n,n1)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="87">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="88">
-    <filters>1 2</filters>
-    <nuclides>U234 U235 U238 O16</nuclides>
-    <scores>(n,a0)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="89">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="90">
-    <filters>1 2 5</filters>
-    <nuclides>U234 U235 U238 O16</nuclides>
-    <scores>(n,nc)</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="91">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="92">
-    <filters>1 2 5</filters>
-    <nuclides>U234 U235 U238 O16</nuclides>
-    <scores>(n,n1)</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="93">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="94">
-    <filters>1 2 5</filters>
-    <nuclides>U234 U235 U238 O16</nuclides>
-    <scores>(n,2n)</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="95">
-    <filters>106 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="96">
-    <filters>106 2</filters>
-    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>total</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="97">
-    <filters>106 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="98">
-    <filters>106 2</filters>
-    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>total</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="99">
-    <filters>106 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="100">
-    <filters>106 5 6</filters>
-    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="101">
-    <filters>106 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="102">
-    <filters>106 2</filters>
-    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>total</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="103">
-    <filters>106 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="104">
-    <filters>106 5 6</filters>
-    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="105">
-    <filters>106 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="106">
-    <filters>106 2</filters>
-    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>absorption</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="107">
-    <filters>106 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="108">
-    <filters>106 2</filters>
-    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>absorption</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="109">
-    <filters>106 2</filters>
-    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>(n,2n)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="110">
-    <filters>106 2</filters>
-    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>(n,3n)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="111">
-    <filters>106 2</filters>
-    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>(n,4n)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="112">
-    <filters>106 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="113">
-    <filters>106 2</filters>
-    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>absorption</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="114">
-    <filters>106 2</filters>
-    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="115">
-    <filters>106 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="116">
-    <filters>106 2</filters>
-    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="117">
-    <filters>106 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="118">
-    <filters>106 2</filters>
-    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>nu-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="119">
-    <filters>106 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="120">
-    <filters>106 2</filters>
-    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>kappa-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="121">
-    <filters>106 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="122">
-    <filters>106 2</filters>
-    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>scatter</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="123">
-    <filters>106 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="124">
-    <filters>106 2</filters>
-    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="125">
-    <filters>106 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="126">
-    <filters>106 2 5 30</filters>
-    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="127">
-    <filters>106 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="128">
-    <filters>106 2 5 30</filters>
-    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="129">
-    <filters>106 2 5</filters>
-    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="130">
-    <filters>106 2 5</filters>
-    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="131">
-    <filters>106 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="132">
-    <filters>106 2 5</filters>
-    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="133">
-    <filters>106 2 5</filters>
-    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="134">
-    <filters>106 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="135">
-    <filters>106 2</filters>
-    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>scatter</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="136">
-    <filters>106 2 5 30</filters>
-    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="137">
-    <filters>106 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="138">
-    <filters>106 2</filters>
-    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>scatter</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="139">
-    <filters>106 2 5 30</filters>
-    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="140">
-    <filters>106 2 5</filters>
-    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="141">
-    <filters>106 54</filters>
-    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="142">
-    <filters>106 5</filters>
-    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="143">
-    <filters>106 54</filters>
-    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>prompt-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="144">
-    <filters>106 5</filters>
-    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>prompt-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="145">
-    <filters>106 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="146">
-    <filters>106 2</filters>
-    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>inverse-velocity</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="147">
-    <filters>106 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="148">
-    <filters>106 2</filters>
-    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>prompt-nu-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="149">
-    <filters>106 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="150">
-    <filters>106 2 5</filters>
-    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>prompt-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="151">
-    <filters>106 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="152">
-    <filters>106 2</filters>
-    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>total</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="153">
-    <filters>106 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="154">
-    <filters>106 5 6</filters>
-    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="155">
-    <filters>106 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="156">
-    <filters>106 2</filters>
-    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>total</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="157">
-    <filters>106 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="158">
-    <filters>106 5 6</filters>
-    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="159">
-    <filters>106 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="160">
-    <filters>106 2</filters>
-    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>(n,elastic)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="161">
-    <filters>106 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="162">
-    <filters>106 2</filters>
-    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>(n,level)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="163">
-    <filters>106 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="164">
-    <filters>106 2</filters>
-    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>(n,2n)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="165">
-    <filters>106 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="166">
-    <filters>106 2</filters>
-    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>(n,na)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="167">
-    <filters>106 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="168">
-    <filters>106 2</filters>
-    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>(n,nc)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="169">
-    <filters>106 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="170">
-    <filters>106 2</filters>
-    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>(n,gamma)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="171">
-    <filters>106 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="172">
-    <filters>106 2</filters>
-    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>(n,a)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="173">
-    <filters>106 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="174">
-    <filters>106 2</filters>
-    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>(n,Xa)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="175">
-    <filters>106 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="176">
-    <filters>106 2</filters>
-    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>heating</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="177">
-    <filters>106 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="178">
-    <filters>106 2</filters>
-    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>damage-energy</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="179">
-    <filters>106 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="180">
-    <filters>106 2</filters>
-    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>(n,n1)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="181">
-    <filters>106 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="182">
-    <filters>106 2</filters>
-    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>(n,a0)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="183">
-    <filters>106 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="184">
-    <filters>106 2 5</filters>
-    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>(n,nc)</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="185">
-    <filters>106 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="186">
-    <filters>106 2 5</filters>
-    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>(n,n1)</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="187">
-    <filters>106 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="188">
-    <filters>106 2 5</filters>
-    <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
-    <scores>(n,2n)</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="189">
-    <filters>211 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="190">
-    <filters>211 2</filters>
-    <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>total</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="191">
-    <filters>211 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="192">
-    <filters>211 2</filters>
-    <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>total</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="193">
-    <filters>211 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="194">
-    <filters>211 5 6</filters>
-    <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="195">
-    <filters>211 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="196">
-    <filters>211 2</filters>
-    <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>total</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="197">
-    <filters>211 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="198">
-    <filters>211 5 6</filters>
-    <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="199">
-    <filters>211 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="200">
-    <filters>211 2</filters>
-    <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>absorption</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="201">
-    <filters>211 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="202">
-    <filters>211 2</filters>
-    <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>absorption</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="203">
-    <filters>211 2</filters>
-    <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>(n,2n)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="204">
-    <filters>211 2</filters>
-    <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>(n,3n)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="205">
-    <filters>211 2</filters>
-    <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>(n,4n)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="206">
-    <filters>211 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="207">
-    <filters>211 2</filters>
-    <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>absorption</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="208">
-    <filters>211 2</filters>
-    <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="209">
-    <filters>211 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="210">
-    <filters>211 2</filters>
-    <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="211">
-    <filters>211 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="212">
-    <filters>211 2</filters>
-    <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>nu-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="213">
-    <filters>211 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="214">
-    <filters>211 2</filters>
-    <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>kappa-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="215">
-    <filters>211 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="216">
-    <filters>211 2</filters>
-    <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>scatter</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="217">
-    <filters>211 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="218">
-    <filters>211 2</filters>
-    <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="219">
-    <filters>211 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="220">
-    <filters>211 2 5 30</filters>
-    <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="221">
-    <filters>211 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="222">
-    <filters>211 2 5 30</filters>
-    <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="223">
-    <filters>211 2 5</filters>
-    <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="224">
-    <filters>211 2 5</filters>
-    <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="225">
-    <filters>211 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="226">
-    <filters>211 2 5</filters>
-    <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="227">
-    <filters>211 2 5</filters>
-    <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="228">
-    <filters>211 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="229">
-    <filters>211 2</filters>
-    <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>scatter</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="230">
-    <filters>211 2 5 30</filters>
-    <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="231">
-    <filters>211 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="232">
-    <filters>211 2</filters>
-    <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>scatter</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="233">
-    <filters>211 2 5 30</filters>
-    <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="234">
-    <filters>211 2 5</filters>
-    <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="235">
-    <filters>211 54</filters>
-    <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="236">
-    <filters>211 5</filters>
-    <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="237">
-    <filters>211 54</filters>
-    <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>prompt-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="238">
-    <filters>211 5</filters>
-    <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>prompt-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="239">
-    <filters>211 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="240">
-    <filters>211 2</filters>
-    <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>inverse-velocity</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="241">
-    <filters>211 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="242">
-    <filters>211 2</filters>
-    <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>prompt-nu-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="243">
-    <filters>211 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="244">
-    <filters>211 2 5</filters>
-    <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>prompt-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="245">
-    <filters>211 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="246">
-    <filters>211 2</filters>
-    <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>total</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="247">
-    <filters>211 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="248">
-    <filters>211 5 6</filters>
-    <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="249">
-    <filters>211 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="250">
-    <filters>211 2</filters>
-    <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>total</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="251">
-    <filters>211 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="252">
-    <filters>211 5 6</filters>
-    <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="253">
-    <filters>211 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="254">
-    <filters>211 2</filters>
-    <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>(n,elastic)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="255">
-    <filters>211 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="256">
-    <filters>211 2</filters>
-    <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>(n,level)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="257">
-    <filters>211 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="258">
-    <filters>211 2</filters>
-    <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>(n,2n)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="259">
-    <filters>211 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="260">
-    <filters>211 2</filters>
-    <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>(n,na)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="261">
-    <filters>211 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="262">
-    <filters>211 2</filters>
-    <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>(n,nc)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="263">
-    <filters>211 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="264">
-    <filters>211 2</filters>
-    <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>(n,gamma)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="265">
-    <filters>211 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="266">
-    <filters>211 2</filters>
-    <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>(n,a)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="267">
-    <filters>211 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="268">
-    <filters>211 2</filters>
-    <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>(n,Xa)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="269">
-    <filters>211 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="270">
-    <filters>211 2</filters>
-    <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>heating</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="271">
-    <filters>211 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="272">
-    <filters>211 2</filters>
-    <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>damage-energy</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="273">
-    <filters>211 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="274">
-    <filters>211 2</filters>
-    <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>(n,n1)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="275">
-    <filters>211 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="276">
-    <filters>211 2</filters>
-    <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>(n,a0)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="277">
-    <filters>211 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="278">
-    <filters>211 2 5</filters>
-    <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>(n,nc)</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="279">
-    <filters>211 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="280">
-    <filters>211 2 5</filters>
-    <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>(n,n1)</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="281">
-    <filters>211 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="282">
-    <filters>211 2 5</filters>
-    <nuclides>H1 O16 B10 B11</nuclides>
-    <scores>(n,2n)</scores>
-    <estimator>analog</estimator>
-  </tally>
-</tallies>
+<model>
+  <materials>
+    <material depletable="true" id="1" name="UO2 (2.4%)">
+      <density units="g/cm3" value="10.29769" />
+      <nuclide ao="4.4843e-06" name="U234" />
+      <nuclide ao="0.00055815" name="U235" />
+      <nuclide ao="0.022408" name="U238" />
+      <nuclide ao="0.045829" name="O16" />
+    </material>
+    <material id="2" name="Zircaloy">
+      <density units="g/cm3" value="6.55" />
+      <nuclide ao="0.021827" name="Zr90" />
+      <nuclide ao="0.00476" name="Zr91" />
+      <nuclide ao="0.0072758" name="Zr92" />
+      <nuclide ao="0.0073734" name="Zr94" />
+      <nuclide ao="0.0011879" name="Zr96" />
+    </material>
+    <material id="3" name="Hot borated water">
+      <density units="g/cm3" value="0.740582" />
+      <nuclide ao="0.049457" name="H1" />
+      <nuclide ao="0.024672" name="O16" />
+      <nuclide ao="8.0042e-06" name="B10" />
+      <nuclide ao="3.2218e-05" name="B11" />
+      <sab name="c_H_in_H2O" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" name="Fuel" region="-1" universe="0" />
+    <cell id="2" material="2" name="Cladding" region="1 -2" universe="0" />
+    <cell id="3" material="3" name="Water" region="2 3 -4 5 -6" universe="0" />
+    <surface coeffs="0 0 0.39218" id="1" name="Fuel OR" type="z-cylinder" />
+    <surface coeffs="0 0 0.4572" id="2" name="Clad OR" type="z-cylinder" />
+    <surface boundary="reflective" coeffs="-0.63" id="3" name="left" type="x-plane" />
+    <surface boundary="reflective" coeffs="0.63" id="4" name="right" type="x-plane" />
+    <surface boundary="reflective" coeffs="-0.63" id="5" name="bottom" type="y-plane" />
+    <surface boundary="reflective" coeffs="0.63" id="6" name="top" type="y-plane" />
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>10</batches>
+    <inactive>5</inactive>
+    <source strength="1.0">
+      <space type="fission">
+        <parameters>-0.63 -0.63 -1 0.63 0.63 1</parameters>
+      </space>
+    </source>
+  </settings>
+  <tallies>
+    <filter id="1" type="material">
+      <bins>1</bins>
+    </filter>
+    <filter id="2" type="energy">
+      <bins>0.0 0.625 20000000.0</bins>
+    </filter>
+    <filter id="5" type="energyout">
+      <bins>0.0 0.625 20000000.0</bins>
+    </filter>
+    <filter id="6" type="legendre">
+      <order>1</order>
+    </filter>
+    <filter id="30" type="legendre">
+      <order>3</order>
+    </filter>
+    <filter id="54" type="energy">
+      <bins>0.0 20000000.0</bins>
+    </filter>
+    <filter id="106" type="material">
+      <bins>2</bins>
+    </filter>
+    <filter id="211" type="material">
+      <bins>3</bins>
+    </filter>
+    <tally id="1">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="2">
+      <filters>1 2</filters>
+      <nuclides>U234 U235 U238 O16</nuclides>
+      <scores>total</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="3">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="4">
+      <filters>1 2</filters>
+      <nuclides>U234 U235 U238 O16</nuclides>
+      <scores>total</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="5">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="6">
+      <filters>1 5 6</filters>
+      <nuclides>U234 U235 U238 O16</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="7">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="8">
+      <filters>1 2</filters>
+      <nuclides>U234 U235 U238 O16</nuclides>
+      <scores>total</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="9">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="10">
+      <filters>1 5 6</filters>
+      <nuclides>U234 U235 U238 O16</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="11">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="12">
+      <filters>1 2</filters>
+      <nuclides>U234 U235 U238 O16</nuclides>
+      <scores>absorption</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="13">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="14">
+      <filters>1 2</filters>
+      <nuclides>U234 U235 U238 O16</nuclides>
+      <scores>absorption</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="15">
+      <filters>1 2</filters>
+      <nuclides>U234 U235 U238 O16</nuclides>
+      <scores>(n,2n)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="16">
+      <filters>1 2</filters>
+      <nuclides>U234 U235 U238 O16</nuclides>
+      <scores>(n,3n)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="17">
+      <filters>1 2</filters>
+      <nuclides>U234 U235 U238 O16</nuclides>
+      <scores>(n,4n)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="18">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="19">
+      <filters>1 2</filters>
+      <nuclides>U234 U235 U238 O16</nuclides>
+      <scores>absorption</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="20">
+      <filters>1 2</filters>
+      <nuclides>U234 U235 U238 O16</nuclides>
+      <scores>fission</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="21">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="22">
+      <filters>1 2</filters>
+      <nuclides>U234 U235 U238 O16</nuclides>
+      <scores>fission</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="23">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="24">
+      <filters>1 2</filters>
+      <nuclides>U234 U235 U238 O16</nuclides>
+      <scores>nu-fission</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="25">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="26">
+      <filters>1 2</filters>
+      <nuclides>U234 U235 U238 O16</nuclides>
+      <scores>kappa-fission</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="27">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="28">
+      <filters>1 2</filters>
+      <nuclides>U234 U235 U238 O16</nuclides>
+      <scores>scatter</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="29">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="30">
+      <filters>1 2</filters>
+      <nuclides>U234 U235 U238 O16</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="31">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="32">
+      <filters>1 2 5 30</filters>
+      <nuclides>U234 U235 U238 O16</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="33">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="34">
+      <filters>1 2 5 30</filters>
+      <nuclides>U234 U235 U238 O16</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="35">
+      <filters>1 2 5</filters>
+      <nuclides>U234 U235 U238 O16</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="36">
+      <filters>1 2 5</filters>
+      <nuclides>U234 U235 U238 O16</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="37">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="38">
+      <filters>1 2 5</filters>
+      <nuclides>U234 U235 U238 O16</nuclides>
+      <scores>nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="39">
+      <filters>1 2 5</filters>
+      <nuclides>U234 U235 U238 O16</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="40">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="41">
+      <filters>1 2</filters>
+      <nuclides>U234 U235 U238 O16</nuclides>
+      <scores>scatter</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="42">
+      <filters>1 2 5 30</filters>
+      <nuclides>U234 U235 U238 O16</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="43">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="44">
+      <filters>1 2</filters>
+      <nuclides>U234 U235 U238 O16</nuclides>
+      <scores>scatter</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="45">
+      <filters>1 2 5 30</filters>
+      <nuclides>U234 U235 U238 O16</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="46">
+      <filters>1 2 5</filters>
+      <nuclides>U234 U235 U238 O16</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="47">
+      <filters>1 54</filters>
+      <nuclides>U234 U235 U238 O16</nuclides>
+      <scores>nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="48">
+      <filters>1 5</filters>
+      <nuclides>U234 U235 U238 O16</nuclides>
+      <scores>nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="49">
+      <filters>1 54</filters>
+      <nuclides>U234 U235 U238 O16</nuclides>
+      <scores>prompt-nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="50">
+      <filters>1 5</filters>
+      <nuclides>U234 U235 U238 O16</nuclides>
+      <scores>prompt-nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="51">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="52">
+      <filters>1 2</filters>
+      <nuclides>U234 U235 U238 O16</nuclides>
+      <scores>inverse-velocity</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="53">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="54">
+      <filters>1 2</filters>
+      <nuclides>U234 U235 U238 O16</nuclides>
+      <scores>prompt-nu-fission</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="55">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="56">
+      <filters>1 2 5</filters>
+      <nuclides>U234 U235 U238 O16</nuclides>
+      <scores>prompt-nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="57">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="58">
+      <filters>1 2</filters>
+      <nuclides>U234 U235 U238 O16</nuclides>
+      <scores>total</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="59">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="60">
+      <filters>1 5 6</filters>
+      <nuclides>U234 U235 U238 O16</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="61">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="62">
+      <filters>1 2</filters>
+      <nuclides>U234 U235 U238 O16</nuclides>
+      <scores>total</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="63">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="64">
+      <filters>1 5 6</filters>
+      <nuclides>U234 U235 U238 O16</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="65">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="66">
+      <filters>1 2</filters>
+      <nuclides>U234 U235 U238 O16</nuclides>
+      <scores>(n,elastic)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="67">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="68">
+      <filters>1 2</filters>
+      <nuclides>U234 U235 U238 O16</nuclides>
+      <scores>(n,level)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="69">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="70">
+      <filters>1 2</filters>
+      <nuclides>U234 U235 U238 O16</nuclides>
+      <scores>(n,2n)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="71">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="72">
+      <filters>1 2</filters>
+      <nuclides>U234 U235 U238 O16</nuclides>
+      <scores>(n,na)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="73">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="74">
+      <filters>1 2</filters>
+      <nuclides>U234 U235 U238 O16</nuclides>
+      <scores>(n,nc)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="75">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="76">
+      <filters>1 2</filters>
+      <nuclides>U234 U235 U238 O16</nuclides>
+      <scores>(n,gamma)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="77">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="78">
+      <filters>1 2</filters>
+      <nuclides>U234 U235 U238 O16</nuclides>
+      <scores>(n,a)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="79">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="80">
+      <filters>1 2</filters>
+      <nuclides>U234 U235 U238 O16</nuclides>
+      <scores>(n,Xa)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="81">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="82">
+      <filters>1 2</filters>
+      <nuclides>U234 U235 U238 O16</nuclides>
+      <scores>heating</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="83">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="84">
+      <filters>1 2</filters>
+      <nuclides>U234 U235 U238 O16</nuclides>
+      <scores>damage-energy</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="85">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="86">
+      <filters>1 2</filters>
+      <nuclides>U234 U235 U238 O16</nuclides>
+      <scores>(n,n1)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="87">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="88">
+      <filters>1 2</filters>
+      <nuclides>U234 U235 U238 O16</nuclides>
+      <scores>(n,a0)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="89">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="90">
+      <filters>1 2 5</filters>
+      <nuclides>U234 U235 U238 O16</nuclides>
+      <scores>(n,nc)</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="91">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="92">
+      <filters>1 2 5</filters>
+      <nuclides>U234 U235 U238 O16</nuclides>
+      <scores>(n,n1)</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="93">
+      <filters>1 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="94">
+      <filters>1 2 5</filters>
+      <nuclides>U234 U235 U238 O16</nuclides>
+      <scores>(n,2n)</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="95">
+      <filters>106 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="96">
+      <filters>106 2</filters>
+      <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
+      <scores>total</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="97">
+      <filters>106 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="98">
+      <filters>106 2</filters>
+      <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
+      <scores>total</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="99">
+      <filters>106 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="100">
+      <filters>106 5 6</filters>
+      <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="101">
+      <filters>106 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="102">
+      <filters>106 2</filters>
+      <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
+      <scores>total</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="103">
+      <filters>106 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="104">
+      <filters>106 5 6</filters>
+      <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="105">
+      <filters>106 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="106">
+      <filters>106 2</filters>
+      <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
+      <scores>absorption</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="107">
+      <filters>106 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="108">
+      <filters>106 2</filters>
+      <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
+      <scores>absorption</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="109">
+      <filters>106 2</filters>
+      <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
+      <scores>(n,2n)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="110">
+      <filters>106 2</filters>
+      <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
+      <scores>(n,3n)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="111">
+      <filters>106 2</filters>
+      <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
+      <scores>(n,4n)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="112">
+      <filters>106 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="113">
+      <filters>106 2</filters>
+      <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
+      <scores>absorption</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="114">
+      <filters>106 2</filters>
+      <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
+      <scores>fission</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="115">
+      <filters>106 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="116">
+      <filters>106 2</filters>
+      <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
+      <scores>fission</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="117">
+      <filters>106 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="118">
+      <filters>106 2</filters>
+      <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
+      <scores>nu-fission</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="119">
+      <filters>106 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="120">
+      <filters>106 2</filters>
+      <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
+      <scores>kappa-fission</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="121">
+      <filters>106 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="122">
+      <filters>106 2</filters>
+      <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
+      <scores>scatter</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="123">
+      <filters>106 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="124">
+      <filters>106 2</filters>
+      <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="125">
+      <filters>106 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="126">
+      <filters>106 2 5 30</filters>
+      <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="127">
+      <filters>106 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="128">
+      <filters>106 2 5 30</filters>
+      <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="129">
+      <filters>106 2 5</filters>
+      <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="130">
+      <filters>106 2 5</filters>
+      <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="131">
+      <filters>106 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="132">
+      <filters>106 2 5</filters>
+      <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
+      <scores>nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="133">
+      <filters>106 2 5</filters>
+      <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="134">
+      <filters>106 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="135">
+      <filters>106 2</filters>
+      <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
+      <scores>scatter</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="136">
+      <filters>106 2 5 30</filters>
+      <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="137">
+      <filters>106 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="138">
+      <filters>106 2</filters>
+      <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
+      <scores>scatter</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="139">
+      <filters>106 2 5 30</filters>
+      <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="140">
+      <filters>106 2 5</filters>
+      <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="141">
+      <filters>106 54</filters>
+      <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
+      <scores>nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="142">
+      <filters>106 5</filters>
+      <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
+      <scores>nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="143">
+      <filters>106 54</filters>
+      <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
+      <scores>prompt-nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="144">
+      <filters>106 5</filters>
+      <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
+      <scores>prompt-nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="145">
+      <filters>106 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="146">
+      <filters>106 2</filters>
+      <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
+      <scores>inverse-velocity</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="147">
+      <filters>106 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="148">
+      <filters>106 2</filters>
+      <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
+      <scores>prompt-nu-fission</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="149">
+      <filters>106 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="150">
+      <filters>106 2 5</filters>
+      <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
+      <scores>prompt-nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="151">
+      <filters>106 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="152">
+      <filters>106 2</filters>
+      <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
+      <scores>total</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="153">
+      <filters>106 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="154">
+      <filters>106 5 6</filters>
+      <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="155">
+      <filters>106 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="156">
+      <filters>106 2</filters>
+      <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
+      <scores>total</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="157">
+      <filters>106 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="158">
+      <filters>106 5 6</filters>
+      <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="159">
+      <filters>106 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="160">
+      <filters>106 2</filters>
+      <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
+      <scores>(n,elastic)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="161">
+      <filters>106 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="162">
+      <filters>106 2</filters>
+      <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
+      <scores>(n,level)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="163">
+      <filters>106 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="164">
+      <filters>106 2</filters>
+      <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
+      <scores>(n,2n)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="165">
+      <filters>106 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="166">
+      <filters>106 2</filters>
+      <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
+      <scores>(n,na)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="167">
+      <filters>106 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="168">
+      <filters>106 2</filters>
+      <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
+      <scores>(n,nc)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="169">
+      <filters>106 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="170">
+      <filters>106 2</filters>
+      <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
+      <scores>(n,gamma)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="171">
+      <filters>106 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="172">
+      <filters>106 2</filters>
+      <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
+      <scores>(n,a)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="173">
+      <filters>106 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="174">
+      <filters>106 2</filters>
+      <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
+      <scores>(n,Xa)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="175">
+      <filters>106 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="176">
+      <filters>106 2</filters>
+      <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
+      <scores>heating</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="177">
+      <filters>106 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="178">
+      <filters>106 2</filters>
+      <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
+      <scores>damage-energy</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="179">
+      <filters>106 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="180">
+      <filters>106 2</filters>
+      <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
+      <scores>(n,n1)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="181">
+      <filters>106 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="182">
+      <filters>106 2</filters>
+      <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
+      <scores>(n,a0)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="183">
+      <filters>106 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="184">
+      <filters>106 2 5</filters>
+      <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
+      <scores>(n,nc)</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="185">
+      <filters>106 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="186">
+      <filters>106 2 5</filters>
+      <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
+      <scores>(n,n1)</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="187">
+      <filters>106 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="188">
+      <filters>106 2 5</filters>
+      <nuclides>Zr90 Zr91 Zr92 Zr94 Zr96</nuclides>
+      <scores>(n,2n)</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="189">
+      <filters>211 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="190">
+      <filters>211 2</filters>
+      <nuclides>H1 O16 B10 B11</nuclides>
+      <scores>total</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="191">
+      <filters>211 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="192">
+      <filters>211 2</filters>
+      <nuclides>H1 O16 B10 B11</nuclides>
+      <scores>total</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="193">
+      <filters>211 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="194">
+      <filters>211 5 6</filters>
+      <nuclides>H1 O16 B10 B11</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="195">
+      <filters>211 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="196">
+      <filters>211 2</filters>
+      <nuclides>H1 O16 B10 B11</nuclides>
+      <scores>total</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="197">
+      <filters>211 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="198">
+      <filters>211 5 6</filters>
+      <nuclides>H1 O16 B10 B11</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="199">
+      <filters>211 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="200">
+      <filters>211 2</filters>
+      <nuclides>H1 O16 B10 B11</nuclides>
+      <scores>absorption</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="201">
+      <filters>211 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="202">
+      <filters>211 2</filters>
+      <nuclides>H1 O16 B10 B11</nuclides>
+      <scores>absorption</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="203">
+      <filters>211 2</filters>
+      <nuclides>H1 O16 B10 B11</nuclides>
+      <scores>(n,2n)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="204">
+      <filters>211 2</filters>
+      <nuclides>H1 O16 B10 B11</nuclides>
+      <scores>(n,3n)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="205">
+      <filters>211 2</filters>
+      <nuclides>H1 O16 B10 B11</nuclides>
+      <scores>(n,4n)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="206">
+      <filters>211 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="207">
+      <filters>211 2</filters>
+      <nuclides>H1 O16 B10 B11</nuclides>
+      <scores>absorption</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="208">
+      <filters>211 2</filters>
+      <nuclides>H1 O16 B10 B11</nuclides>
+      <scores>fission</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="209">
+      <filters>211 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="210">
+      <filters>211 2</filters>
+      <nuclides>H1 O16 B10 B11</nuclides>
+      <scores>fission</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="211">
+      <filters>211 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="212">
+      <filters>211 2</filters>
+      <nuclides>H1 O16 B10 B11</nuclides>
+      <scores>nu-fission</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="213">
+      <filters>211 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="214">
+      <filters>211 2</filters>
+      <nuclides>H1 O16 B10 B11</nuclides>
+      <scores>kappa-fission</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="215">
+      <filters>211 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="216">
+      <filters>211 2</filters>
+      <nuclides>H1 O16 B10 B11</nuclides>
+      <scores>scatter</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="217">
+      <filters>211 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="218">
+      <filters>211 2</filters>
+      <nuclides>H1 O16 B10 B11</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="219">
+      <filters>211 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="220">
+      <filters>211 2 5 30</filters>
+      <nuclides>H1 O16 B10 B11</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="221">
+      <filters>211 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="222">
+      <filters>211 2 5 30</filters>
+      <nuclides>H1 O16 B10 B11</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="223">
+      <filters>211 2 5</filters>
+      <nuclides>H1 O16 B10 B11</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="224">
+      <filters>211 2 5</filters>
+      <nuclides>H1 O16 B10 B11</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="225">
+      <filters>211 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="226">
+      <filters>211 2 5</filters>
+      <nuclides>H1 O16 B10 B11</nuclides>
+      <scores>nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="227">
+      <filters>211 2 5</filters>
+      <nuclides>H1 O16 B10 B11</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="228">
+      <filters>211 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="229">
+      <filters>211 2</filters>
+      <nuclides>H1 O16 B10 B11</nuclides>
+      <scores>scatter</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="230">
+      <filters>211 2 5 30</filters>
+      <nuclides>H1 O16 B10 B11</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="231">
+      <filters>211 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="232">
+      <filters>211 2</filters>
+      <nuclides>H1 O16 B10 B11</nuclides>
+      <scores>scatter</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="233">
+      <filters>211 2 5 30</filters>
+      <nuclides>H1 O16 B10 B11</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="234">
+      <filters>211 2 5</filters>
+      <nuclides>H1 O16 B10 B11</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="235">
+      <filters>211 54</filters>
+      <nuclides>H1 O16 B10 B11</nuclides>
+      <scores>nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="236">
+      <filters>211 5</filters>
+      <nuclides>H1 O16 B10 B11</nuclides>
+      <scores>nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="237">
+      <filters>211 54</filters>
+      <nuclides>H1 O16 B10 B11</nuclides>
+      <scores>prompt-nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="238">
+      <filters>211 5</filters>
+      <nuclides>H1 O16 B10 B11</nuclides>
+      <scores>prompt-nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="239">
+      <filters>211 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="240">
+      <filters>211 2</filters>
+      <nuclides>H1 O16 B10 B11</nuclides>
+      <scores>inverse-velocity</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="241">
+      <filters>211 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="242">
+      <filters>211 2</filters>
+      <nuclides>H1 O16 B10 B11</nuclides>
+      <scores>prompt-nu-fission</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="243">
+      <filters>211 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="244">
+      <filters>211 2 5</filters>
+      <nuclides>H1 O16 B10 B11</nuclides>
+      <scores>prompt-nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="245">
+      <filters>211 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="246">
+      <filters>211 2</filters>
+      <nuclides>H1 O16 B10 B11</nuclides>
+      <scores>total</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="247">
+      <filters>211 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="248">
+      <filters>211 5 6</filters>
+      <nuclides>H1 O16 B10 B11</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="249">
+      <filters>211 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="250">
+      <filters>211 2</filters>
+      <nuclides>H1 O16 B10 B11</nuclides>
+      <scores>total</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="251">
+      <filters>211 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="252">
+      <filters>211 5 6</filters>
+      <nuclides>H1 O16 B10 B11</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="253">
+      <filters>211 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="254">
+      <filters>211 2</filters>
+      <nuclides>H1 O16 B10 B11</nuclides>
+      <scores>(n,elastic)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="255">
+      <filters>211 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="256">
+      <filters>211 2</filters>
+      <nuclides>H1 O16 B10 B11</nuclides>
+      <scores>(n,level)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="257">
+      <filters>211 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="258">
+      <filters>211 2</filters>
+      <nuclides>H1 O16 B10 B11</nuclides>
+      <scores>(n,2n)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="259">
+      <filters>211 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="260">
+      <filters>211 2</filters>
+      <nuclides>H1 O16 B10 B11</nuclides>
+      <scores>(n,na)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="261">
+      <filters>211 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="262">
+      <filters>211 2</filters>
+      <nuclides>H1 O16 B10 B11</nuclides>
+      <scores>(n,nc)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="263">
+      <filters>211 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="264">
+      <filters>211 2</filters>
+      <nuclides>H1 O16 B10 B11</nuclides>
+      <scores>(n,gamma)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="265">
+      <filters>211 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="266">
+      <filters>211 2</filters>
+      <nuclides>H1 O16 B10 B11</nuclides>
+      <scores>(n,a)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="267">
+      <filters>211 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="268">
+      <filters>211 2</filters>
+      <nuclides>H1 O16 B10 B11</nuclides>
+      <scores>(n,Xa)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="269">
+      <filters>211 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="270">
+      <filters>211 2</filters>
+      <nuclides>H1 O16 B10 B11</nuclides>
+      <scores>heating</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="271">
+      <filters>211 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="272">
+      <filters>211 2</filters>
+      <nuclides>H1 O16 B10 B11</nuclides>
+      <scores>damage-energy</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="273">
+      <filters>211 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="274">
+      <filters>211 2</filters>
+      <nuclides>H1 O16 B10 B11</nuclides>
+      <scores>(n,n1)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="275">
+      <filters>211 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="276">
+      <filters>211 2</filters>
+      <nuclides>H1 O16 B10 B11</nuclides>
+      <scores>(n,a0)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="277">
+      <filters>211 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="278">
+      <filters>211 2 5</filters>
+      <nuclides>H1 O16 B10 B11</nuclides>
+      <scores>(n,nc)</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="279">
+      <filters>211 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="280">
+      <filters>211 2 5</filters>
+      <nuclides>H1 O16 B10 B11</nuclides>
+      <scores>(n,n1)</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="281">
+      <filters>211 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="282">
+      <filters>211 2 5</filters>
+      <nuclides>H1 O16 B10 B11</nuclides>
+      <scores>(n,2n)</scores>
+      <estimator>analog</estimator>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/multipole/inputs_true.dat b/tests/regression_tests/multipole/inputs_true.dat
index 3bbcc2024..3a602b28b 100644
--- a/tests/regression_tests/multipole/inputs_true.dat
+++ b/tests/regression_tests/multipole/inputs_true.dat
@@ -1,55 +1,54 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell id="1" material="1" universe="1" />
-  <cell id="11" material="2" region="-1" temperature="500 700 0 800" universe="11" />
-  <cell id="12" material="1" region="1" universe="11" />
-  <cell fill="101" id="101" region="2 -3 4 -5" universe="0" />
-  <lattice id="101">
-    <pitch>2.0 2.0</pitch>
-    <outer>1</outer>
-    <dimension>2 2</dimension>
-    <lower_left>-2.0 -2.0</lower_left>
-    <universes>
+<model>
+  <materials>
+    <material id="1">
+      <density units="g/cc" value="1.0" />
+      <nuclide ao="2.0" name="H1" />
+      <nuclide ao="1.0" name="O16" />
+      <sab name="c_H_in_H2O" />
+    </material>
+    <material depletable="true" id="2">
+      <density units="g/cc" value="4.5" />
+      <nuclide ao="1.0" name="U235" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" universe="1" />
+    <cell id="11" material="2" region="-1" temperature="500 700 0 800" universe="11" />
+    <cell id="12" material="1" region="1" universe="11" />
+    <cell fill="101" id="101" region="2 -3 4 -5" universe="0" />
+    <lattice id="101">
+      <pitch>2.0 2.0</pitch>
+      <outer>1</outer>
+      <dimension>2 2</dimension>
+      <lower_left>-2.0 -2.0</lower_left>
+      <universes>
 11 11 
 11 11 </universes>
-  </lattice>
-  <surface coeffs="0.0 0.0 0.3" id="1" type="z-cylinder" />
-  <surface boundary="reflective" coeffs="-3.0" id="2" type="x-plane" />
-  <surface boundary="reflective" coeffs="3.0" id="3" type="x-plane" />
-  <surface boundary="reflective" coeffs="-3.0" id="4" type="y-plane" />
-  <surface boundary="reflective" coeffs="3.0" id="5" type="y-plane" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-  <material id="1">
-    <density units="g/cc" value="1.0" />
-    <nuclide ao="2.0" name="H1" />
-    <nuclide ao="1.0" name="O16" />
-    <sab name="c_H_in_H2O" />
-  </material>
-  <material depletable="true" id="2">
-    <density units="g/cc" value="4.5" />
-    <nuclide ao="1.0" name="U235" />
-  </material>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>eigenvalue</run_mode>
-  <particles>1000</particles>
-  <batches>5</batches>
-  <inactive>0</inactive>
-  <source strength="1.0">
-    <space type="box">
-      <parameters>-1 -1 -1 1 1 1</parameters>
-    </space>
-  </source>
-  <temperature_multipole>true</temperature_multipole>
-  <temperature_tolerance>1000</temperature_tolerance>
-</settings>
-<?xml version='1.0' encoding='utf-8'?>
-<tallies>
-  <tally id="1">
-    <nuclides>U235 O16 total</nuclides>
-    <scores>total fission (n,gamma) elastic (n,p)</scores>
-  </tally>
-</tallies>
+    </lattice>
+    <surface coeffs="0.0 0.0 0.3" id="1" type="z-cylinder" />
+    <surface boundary="reflective" coeffs="-3.0" id="2" type="x-plane" />
+    <surface boundary="reflective" coeffs="3.0" id="3" type="x-plane" />
+    <surface boundary="reflective" coeffs="-3.0" id="4" type="y-plane" />
+    <surface boundary="reflective" coeffs="3.0" id="5" type="y-plane" />
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>1000</particles>
+    <batches>5</batches>
+    <inactive>0</inactive>
+    <source strength="1.0">
+      <space type="box">
+        <parameters>-1 -1 -1 1 1 1</parameters>
+      </space>
+    </source>
+    <temperature_multipole>true</temperature_multipole>
+    <temperature_tolerance>1000</temperature_tolerance>
+  </settings>
+  <tallies>
+    <tally id="1">
+      <nuclides>U235 O16 total</nuclides>
+      <scores>total fission (n,gamma) elastic (n,p)</scores>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/ncrystal/inputs_true.dat b/tests/regression_tests/ncrystal/inputs_true.dat
index 7a3f20eb3..a609edcae 100644
--- a/tests/regression_tests/ncrystal/inputs_true.dat
+++ b/tests/regression_tests/ncrystal/inputs_true.dat
@@ -1,45 +1,44 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell id="1" material="1" region="-1" universe="1" />
-  <cell id="2" material="void" region="1 -2" universe="1" />
-  <surface coeffs="0.0 0.0 0.0 0.1" id="1" type="sphere" />
-  <surface boundary="vacuum" coeffs="0.0 0.0 0.0 100" id="2" type="sphere" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-  <material cfg="Al_sg225.ncmat" id="1" temperature="293.15">
-    <density units="g/cm3" value="2.6986455176922477" />
-    <nuclide ao="1.0" name="Al27" />
-  </material>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>fixed source</run_mode>
-  <particles>100000</particles>
-  <batches>10</batches>
-  <source strength="1.0">
-    <space type="point">
-      <parameters>0 0 -20</parameters>
-    </space>
-    <angle reference_uvw="0.0 0.0 1.0" type="monodirectional" />
-    <energy type="discrete">
-      <parameters>0.012 1.0</parameters>
-    </energy>
-  </source>
-</settings>
-<?xml version='1.0' encoding='utf-8'?>
-<tallies>
-  <filter id="1" type="surface">
-    <bins>1</bins>
-  </filter>
-  <filter id="2" type="polar">
-    <bins>0.0 0.017453292519943295 0.03490658503988659 0.05235987755982989 0.06981317007977318 0.08726646259971647 0.10471975511965978 0.12217304763960307 0.13962634015954636 0.15707963267948966 0.17453292519943295 0.19198621771937624 0.20943951023931956 0.22689280275926285 0.24434609527920614 0.2617993877991494 0.2792526803190927 0.29670597283903605 0.3141592653589793 0.33161255787892263 0.3490658503988659 0.3665191429188092 0.3839724354387525 0.4014257279586958 0.4188790204786391 0.4363323129985824 0.4537856055185257 0.47123889803846897 0.4886921905584123 0.5061454830783556 0.5235987755982988 0.5410520681182421 0.5585053606381855 0.5759586531581288 0.5934119456780721 0.6108652381980153 0.6283185307179586 0.6457718232379019 0.6632251157578453 0.6806784082777885 0.6981317007977318 0.7155849933176751 0.7330382858376184 0.7504915783575618 0.767944870877505 0.7853981633974483 0.8028514559173916 0.8203047484373349 0.8377580409572782 0.8552113334772214 0.8726646259971648 0.8901179185171081 0.9075712110370514 0.9250245035569946 0.9424777960769379 0.9599310885968813 0.9773843811168246 0.9948376736367679 1.0122909661567112 1.0297442586766545 1.0471975511965976 1.064650843716541 1.0821041362364843 1.0995574287564276 1.117010721276371 1.1344640137963142 1.1519173063162575 1.1693705988362009 1.1868238913561442 1.2042771838760873 1.2217304763960306 1.239183768915974 1.2566370614359172 1.2740903539558606 1.2915436464758039 1.3089969389957472 1.3264502315156905 1.3439035240356338 1.361356816555577 1.3788101090755203 1.3962634015954636 1.413716694115407 1.4311699866353502 1.4486232791552935 1.4660765716752369 1.4835298641951802 1.5009831567151235 1.5184364492350666 1.53588974175501 1.5533430342749532 1.5707963267948966 1.5882496193148399 1.6057029118347832 1.6231562043547265 1.6406094968746698 1.6580627893946132 1.6755160819145565 1.6929693744344996 1.710422666954443 1.7278759594743862 1.7453292519943295 1.7627825445142729 1.7802358370342162 1.7976891295541595 1.8151424220741028 1.8325957145940461 1.8500490071139892 1.8675022996339325 1.8849555921538759 1.9024088846738192 1.9198621771937625 1.9373154697137058 1.9547687622336491 1.9722220547535925 1.9896753472735358 2.007128639793479 2.0245819323134224 2.0420352248333655 2.059488517353309 2.076941809873252 2.0943951023931953 2.111848394913139 2.129301687433082 2.1467549799530254 2.1642082724729685 2.181661564992912 2.199114857512855 2.2165681500327987 2.234021442552742 2.251474735072685 2.2689280275926285 2.2863813201125716 2.303834612632515 2.321287905152458 2.3387411976724017 2.356194490192345 2.3736477827122884 2.3911010752322315 2.4085543677521746 2.426007660272118 2.443460952792061 2.4609142453120048 2.478367537831948 2.4958208303518914 2.5132741228718345 2.530727415391778 2.548180707911721 2.5656340004316642 2.5830872929516078 2.600540585471551 2.6179938779914944 2.6354471705114375 2.652900463031381 2.670353755551324 2.6878070480712677 2.705260340591211 2.722713633111154 2.7401669256310974 2.7576202181510405 2.775073510670984 2.792526803190927 2.8099800957108707 2.827433388230814 2.8448866807507573 2.8623399732707004 2.8797932657906435 2.897246558310587 2.91469985083053 2.9321531433504737 2.949606435870417 2.9670597283903604 2.9845130209103035 3.001966313430247 3.01941960595019 3.036872898470133 3.0543261909900767 3.07177948351002 3.0892327760299634 3.1066860685499065 3.12413936106985 3.141592653589793</bins>
-  </filter>
-  <filter id="3" type="cellfrom">
-    <bins>1</bins>
-  </filter>
-  <tally id="1" name="angular distribution">
-    <filters>1 2 3</filters>
-    <scores>current</scores>
-  </tally>
-</tallies>
+<model>
+  <materials>
+    <material cfg="Al_sg225.ncmat" id="1" temperature="293.15">
+      <density units="g/cm3" value="2.6986455176922477" />
+      <nuclide ao="1.0" name="Al27" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="-1" universe="1" />
+    <cell id="2" material="void" region="1 -2" universe="1" />
+    <surface coeffs="0.0 0.0 0.0 0.1" id="1" type="sphere" />
+    <surface boundary="vacuum" coeffs="0.0 0.0 0.0 100" id="2" type="sphere" />
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>100000</particles>
+    <batches>10</batches>
+    <source strength="1.0">
+      <space type="point">
+        <parameters>0 0 -20</parameters>
+      </space>
+      <angle reference_uvw="0.0 0.0 1.0" type="monodirectional" />
+      <energy type="discrete">
+        <parameters>0.012 1.0</parameters>
+      </energy>
+    </source>
+  </settings>
+  <tallies>
+    <filter id="1" type="surface">
+      <bins>1</bins>
+    </filter>
+    <filter id="2" type="polar">
+      <bins>0.0 0.017453292519943295 0.03490658503988659 0.05235987755982989 0.06981317007977318 0.08726646259971647 0.10471975511965978 0.12217304763960307 0.13962634015954636 0.15707963267948966 0.17453292519943295 0.19198621771937624 0.20943951023931956 0.22689280275926285 0.24434609527920614 0.2617993877991494 0.2792526803190927 0.29670597283903605 0.3141592653589793 0.33161255787892263 0.3490658503988659 0.3665191429188092 0.3839724354387525 0.4014257279586958 0.4188790204786391 0.4363323129985824 0.4537856055185257 0.47123889803846897 0.4886921905584123 0.5061454830783556 0.5235987755982988 0.5410520681182421 0.5585053606381855 0.5759586531581288 0.5934119456780721 0.6108652381980153 0.6283185307179586 0.6457718232379019 0.6632251157578453 0.6806784082777885 0.6981317007977318 0.7155849933176751 0.7330382858376184 0.7504915783575618 0.767944870877505 0.7853981633974483 0.8028514559173916 0.8203047484373349 0.8377580409572782 0.8552113334772214 0.8726646259971648 0.8901179185171081 0.9075712110370514 0.9250245035569946 0.9424777960769379 0.9599310885968813 0.9773843811168246 0.9948376736367679 1.0122909661567112 1.0297442586766545 1.0471975511965976 1.064650843716541 1.0821041362364843 1.0995574287564276 1.117010721276371 1.1344640137963142 1.1519173063162575 1.1693705988362009 1.1868238913561442 1.2042771838760873 1.2217304763960306 1.239183768915974 1.2566370614359172 1.2740903539558606 1.2915436464758039 1.3089969389957472 1.3264502315156905 1.3439035240356338 1.361356816555577 1.3788101090755203 1.3962634015954636 1.413716694115407 1.4311699866353502 1.4486232791552935 1.4660765716752369 1.4835298641951802 1.5009831567151235 1.5184364492350666 1.53588974175501 1.5533430342749532 1.5707963267948966 1.5882496193148399 1.6057029118347832 1.6231562043547265 1.6406094968746698 1.6580627893946132 1.6755160819145565 1.6929693744344996 1.710422666954443 1.7278759594743862 1.7453292519943295 1.7627825445142729 1.7802358370342162 1.7976891295541595 1.8151424220741028 1.8325957145940461 1.8500490071139892 1.8675022996339325 1.8849555921538759 1.9024088846738192 1.9198621771937625 1.9373154697137058 1.9547687622336491 1.9722220547535925 1.9896753472735358 2.007128639793479 2.0245819323134224 2.0420352248333655 2.059488517353309 2.076941809873252 2.0943951023931953 2.111848394913139 2.129301687433082 2.1467549799530254 2.1642082724729685 2.181661564992912 2.199114857512855 2.2165681500327987 2.234021442552742 2.251474735072685 2.2689280275926285 2.2863813201125716 2.303834612632515 2.321287905152458 2.3387411976724017 2.356194490192345 2.3736477827122884 2.3911010752322315 2.4085543677521746 2.426007660272118 2.443460952792061 2.4609142453120048 2.478367537831948 2.4958208303518914 2.5132741228718345 2.530727415391778 2.548180707911721 2.5656340004316642 2.5830872929516078 2.600540585471551 2.6179938779914944 2.6354471705114375 2.652900463031381 2.670353755551324 2.6878070480712677 2.705260340591211 2.722713633111154 2.7401669256310974 2.7576202181510405 2.775073510670984 2.792526803190927 2.8099800957108707 2.827433388230814 2.8448866807507573 2.8623399732707004 2.8797932657906435 2.897246558310587 2.91469985083053 2.9321531433504737 2.949606435870417 2.9670597283903604 2.9845130209103035 3.001966313430247 3.01941960595019 3.036872898470133 3.0543261909900767 3.07177948351002 3.0892327760299634 3.1066860685499065 3.12413936106985 3.141592653589793</bins>
+    </filter>
+    <filter id="3" type="cellfrom">
+      <bins>1</bins>
+    </filter>
+    <tally id="1" name="angular distribution">
+      <filters>1 2 3</filters>
+      <scores>current</scores>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/periodic/inputs_true.dat b/tests/regression_tests/periodic/inputs_true.dat
index c1f6d1563..9934e2de0 100644
--- a/tests/regression_tests/periodic/inputs_true.dat
+++ b/tests/regression_tests/periodic/inputs_true.dat
@@ -1,37 +1,37 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell id="1" material="1" region="1 -2 3 -4 5 -6 7" universe="0" />
-  <cell id="2" material="2" region="3 5 -6 -7" universe="0" />
-  <surface boundary="periodic" coeffs="0.0" id="1" periodic_surface_id="3" type="x-plane" />
-  <surface boundary="reflective" coeffs="5.0" id="2" type="x-plane" />
-  <surface boundary="periodic" coeffs="0.0" id="3" periodic_surface_id="1" type="y-plane" />
-  <surface boundary="reflective" coeffs="5.0" id="4" type="y-plane" />
-  <surface boundary="periodic" coeffs="-5.0" id="5" type="z-plane" />
-  <surface boundary="periodic" coeffs="0 0 1 5.0" id="6" type="plane" />
-  <surface coeffs="2.5 0.0 2.0" id="7" type="z-cylinder" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-  <material id="1">
-    <density units="g/cc" value="1.0" />
-    <nuclide ao="2.0" name="H1" />
-    <nuclide ao="1.0" name="O16" />
-    <sab name="c_H_in_H2O" />
-  </material>
-  <material depletable="true" id="2">
-    <density units="g/cc" value="4.5" />
-    <nuclide ao="1.0" name="U235" />
-  </material>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>eigenvalue</run_mode>
-  <particles>1000</particles>
-  <batches>4</batches>
-  <inactive>0</inactive>
-  <source strength="1.0">
-    <space type="box">
-      <parameters>0 0 0 5 5 0</parameters>
-    </space>
-  </source>
-</settings>
+<model>
+  <materials>
+    <material id="1">
+      <density units="g/cc" value="1.0" />
+      <nuclide ao="2.0" name="H1" />
+      <nuclide ao="1.0" name="O16" />
+      <sab name="c_H_in_H2O" />
+    </material>
+    <material depletable="true" id="2">
+      <density units="g/cc" value="4.5" />
+      <nuclide ao="1.0" name="U235" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="1 -2 3 -4 5 -6 7" universe="0" />
+    <cell id="2" material="2" region="3 5 -6 -7" universe="0" />
+    <surface boundary="periodic" coeffs="0.0" id="1" periodic_surface_id="3" type="x-plane" />
+    <surface boundary="reflective" coeffs="5.0" id="2" type="x-plane" />
+    <surface boundary="periodic" coeffs="0.0" id="3" periodic_surface_id="1" type="y-plane" />
+    <surface boundary="reflective" coeffs="5.0" id="4" type="y-plane" />
+    <surface boundary="periodic" coeffs="-5.0" id="5" type="z-plane" />
+    <surface boundary="periodic" coeffs="0 0 1 5.0" id="6" type="plane" />
+    <surface coeffs="2.5 0.0 2.0" id="7" type="z-cylinder" />
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>1000</particles>
+    <batches>4</batches>
+    <inactive>0</inactive>
+    <source strength="1.0">
+      <space type="box">
+        <parameters>0 0 0 5 5 0</parameters>
+      </space>
+    </source>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/periodic_6fold/inputs_true.dat b/tests/regression_tests/periodic_6fold/inputs_true.dat
index 35bbcc047..9c2899417 100644
--- a/tests/regression_tests/periodic_6fold/inputs_true.dat
+++ b/tests/regression_tests/periodic_6fold/inputs_true.dat
@@ -1,34 +1,34 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell id="1" material="1" region="1 2 -3 4" universe="0" />
-  <cell id="2" material="2" region="1 2 -4" universe="0" />
-  <surface boundary="periodic" coeffs="0.4999999999999999 0.8660254037844387 0.0 0.0" id="1" type="plane" />
-  <surface boundary="periodic" coeffs="0.4999999999999999 -0.8660254037844387 0.0 0.0" id="2" type="plane" />
-  <surface boundary="reflective" coeffs="5.0" id="3" type="x-plane" />
-  <surface coeffs="2.598076211353316 1.4999999999999998 2.0" id="4" type="z-cylinder" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-  <material id="1">
-    <density units="g/cc" value="1.0" />
-    <nuclide ao="2.0" name="H1" />
-    <nuclide ao="1.0" name="O16" />
-    <sab name="c_H_in_H2O" />
-  </material>
-  <material depletable="true" id="2">
-    <density units="g/cc" value="4.5" />
-    <nuclide ao="1.0" name="U235" />
-  </material>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>eigenvalue</run_mode>
-  <particles>1000</particles>
-  <batches>4</batches>
-  <inactive>0</inactive>
-  <source strength="1.0">
-    <space type="box">
-      <parameters>0 0 0 5 5 0</parameters>
-    </space>
-  </source>
-</settings>
+<model>
+  <materials>
+    <material id="1">
+      <density units="g/cc" value="1.0" />
+      <nuclide ao="2.0" name="H1" />
+      <nuclide ao="1.0" name="O16" />
+      <sab name="c_H_in_H2O" />
+    </material>
+    <material depletable="true" id="2">
+      <density units="g/cc" value="4.5" />
+      <nuclide ao="1.0" name="U235" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="1 2 -3 4" universe="0" />
+    <cell id="2" material="2" region="1 2 -4" universe="0" />
+    <surface boundary="periodic" coeffs="0.4999999999999999 0.8660254037844387 0.0 0.0" id="1" type="plane" />
+    <surface boundary="periodic" coeffs="0.4999999999999999 -0.8660254037844387 0.0 0.0" id="2" type="plane" />
+    <surface boundary="reflective" coeffs="5.0" id="3" type="x-plane" />
+    <surface coeffs="2.598076211353316 1.4999999999999998 2.0" id="4" type="z-cylinder" />
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>1000</particles>
+    <batches>4</batches>
+    <inactive>0</inactive>
+    <source strength="1.0">
+      <space type="box">
+        <parameters>0 0 0 5 5 0</parameters>
+      </space>
+    </source>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/periodic_hex/inputs_true.dat b/tests/regression_tests/periodic_hex/inputs_true.dat
index 00e539d4b..f4869fa58 100644
--- a/tests/regression_tests/periodic_hex/inputs_true.dat
+++ b/tests/regression_tests/periodic_hex/inputs_true.dat
@@ -1,24 +1,24 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell id="1" material="1" region="-1 2 -3 -4 5 6" universe="1" />
-  <surface boundary="periodic" coeffs="8.660254037844386" id="1" periodic_surface_id="2" type="x-plane" />
-  <surface boundary="periodic" coeffs="-8.660254037844386" id="2" periodic_surface_id="1" type="x-plane" />
-  <surface boundary="periodic" coeffs="0.5773502691896257 1.0 0.0 10.0" id="3" periodic_surface_id="6" type="plane" />
-  <surface boundary="periodic" coeffs="-0.5773502691896257 1.0 0.0 10.0" id="4" periodic_surface_id="5" type="plane" />
-  <surface boundary="periodic" coeffs="-0.5773502691896257 1.0 0.0 -10.0" id="5" periodic_surface_id="4" type="plane" />
-  <surface boundary="periodic" coeffs="0.5773502691896257 1.0 0.0 -10.0" id="6" periodic_surface_id="3" type="plane" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-  <material depletable="true" id="1">
-    <density units="g/cc" value="4.5" />
-    <nuclide ao="1.0" name="U235" />
-  </material>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>eigenvalue</run_mode>
-  <particles>1000</particles>
-  <batches>5</batches>
-  <inactive>0</inactive>
-</settings>
+<model>
+  <materials>
+    <material depletable="true" id="1">
+      <density units="g/cc" value="4.5" />
+      <nuclide ao="1.0" name="U235" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="-1 2 -3 -4 5 6" universe="1" />
+    <surface boundary="periodic" coeffs="8.660254037844386" id="1" periodic_surface_id="2" type="x-plane" />
+    <surface boundary="periodic" coeffs="-8.660254037844386" id="2" periodic_surface_id="1" type="x-plane" />
+    <surface boundary="periodic" coeffs="0.5773502691896257 1.0 0.0 10.0" id="3" periodic_surface_id="6" type="plane" />
+    <surface boundary="periodic" coeffs="-0.5773502691896257 1.0 0.0 10.0" id="4" periodic_surface_id="5" type="plane" />
+    <surface boundary="periodic" coeffs="-0.5773502691896257 1.0 0.0 -10.0" id="5" periodic_surface_id="4" type="plane" />
+    <surface boundary="periodic" coeffs="0.5773502691896257 1.0 0.0 -10.0" id="6" periodic_surface_id="3" type="plane" />
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>1000</particles>
+    <batches>5</batches>
+    <inactive>0</inactive>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/photon_production/inputs_true.dat b/tests/regression_tests/photon_production/inputs_true.dat
index 09f1fd290..0b2b43468 100644
--- a/tests/regression_tests/photon_production/inputs_true.dat
+++ b/tests/regression_tests/photon_production/inputs_true.dat
@@ -1,68 +1,67 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell id="1" material="void" region="-1 2 -3" universe="1" />
-  <cell id="2" material="1" region="-1 3 -4" universe="1" />
-  <cell id="3" material="void" region="~(-1 2 -4)" universe="1" />
-  <surface boundary="vacuum" coeffs="0.0 0.0 1.0" id="1" type="x-cylinder" />
-  <surface boundary="vacuum" coeffs="-1.0" id="2" type="x-plane" />
-  <surface coeffs="1.0" id="3" type="x-plane" />
-  <surface boundary="vacuum" coeffs="1000000000.0" id="4" type="x-plane" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-  <material id="1">
-    <density units="g/cm3" value="2.6989" />
-    <nuclide ao="1.0" name="Al27" />
-  </material>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>fixed source</run_mode>
-  <particles>10000</particles>
-  <batches>1</batches>
-  <source strength="1.0">
-    <space type="point">
-      <parameters>0 0 0</parameters>
-    </space>
-    <angle reference_uvw="1.0 0.0 0.0" type="monodirectional" />
-    <energy type="discrete">
-      <parameters>14000000.0 1.0</parameters>
-    </energy>
-  </source>
-  <electron_treatment>ttb</electron_treatment>
-  <photon_transport>true</photon_transport>
-  <cutoff>
-    <energy_photon>1000.0</energy_photon>
-  </cutoff>
-</settings>
-<?xml version='1.0' encoding='utf-8'?>
-<tallies>
-  <filter id="1" type="surface">
-    <bins>1</bins>
-  </filter>
-  <filter id="2" type="particle">
-    <bins>neutron photon electron positron</bins>
-  </filter>
-  <tally id="1">
-    <filters>1 2</filters>
-    <scores>current</scores>
-  </tally>
-  <tally id="2">
-    <filters>2</filters>
-    <nuclides>Al27 total</nuclides>
-    <scores>total (n,gamma)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="3">
-    <filters>2</filters>
-    <nuclides>Al27 total</nuclides>
-    <scores>total heating (n,gamma)</scores>
-    <estimator>collision</estimator>
-  </tally>
-  <tally id="4">
-    <filters>2</filters>
-    <nuclides>Al27 total</nuclides>
-    <scores>total heating (n,gamma)</scores>
-    <estimator>analog</estimator>
-  </tally>
-</tallies>
+<model>
+  <materials>
+    <material id="1">
+      <density units="g/cm3" value="2.6989" />
+      <nuclide ao="1.0" name="Al27" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="void" region="-1 2 -3" universe="1" />
+    <cell id="2" material="1" region="-1 3 -4" universe="1" />
+    <cell id="3" material="void" region="~(-1 2 -4)" universe="1" />
+    <surface boundary="vacuum" coeffs="0.0 0.0 1.0" id="1" type="x-cylinder" />
+    <surface boundary="vacuum" coeffs="-1.0" id="2" type="x-plane" />
+    <surface coeffs="1.0" id="3" type="x-plane" />
+    <surface boundary="vacuum" coeffs="1000000000.0" id="4" type="x-plane" />
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>10000</particles>
+    <batches>1</batches>
+    <source strength="1.0">
+      <space type="point">
+        <parameters>0 0 0</parameters>
+      </space>
+      <angle reference_uvw="1.0 0.0 0.0" type="monodirectional" />
+      <energy type="discrete">
+        <parameters>14000000.0 1.0</parameters>
+      </energy>
+    </source>
+    <electron_treatment>ttb</electron_treatment>
+    <photon_transport>true</photon_transport>
+    <cutoff>
+      <energy_photon>1000.0</energy_photon>
+    </cutoff>
+  </settings>
+  <tallies>
+    <filter id="1" type="surface">
+      <bins>1</bins>
+    </filter>
+    <filter id="2" type="particle">
+      <bins>neutron photon electron positron</bins>
+    </filter>
+    <tally id="1">
+      <filters>1 2</filters>
+      <scores>current</scores>
+    </tally>
+    <tally id="2">
+      <filters>2</filters>
+      <nuclides>Al27 total</nuclides>
+      <scores>total (n,gamma)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="3">
+      <filters>2</filters>
+      <nuclides>Al27 total</nuclides>
+      <scores>total heating (n,gamma)</scores>
+      <estimator>collision</estimator>
+    </tally>
+    <tally id="4">
+      <filters>2</filters>
+      <nuclides>Al27 total</nuclides>
+      <scores>total heating (n,gamma)</scores>
+      <estimator>analog</estimator>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/photon_production_fission/inputs_true.dat b/tests/regression_tests/photon_production_fission/inputs_true.dat
index c317f6273..ea6e9d9ee 100644
--- a/tests/regression_tests/photon_production_fission/inputs_true.dat
+++ b/tests/regression_tests/photon_production_fission/inputs_true.dat
@@ -1,49 +1,48 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell id="1" material="1" region="-1" universe="1" />
-  <surface boundary="reflective" coeffs="0.0 0.0 0.0 100.0" id="1" type="sphere" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-  <material depletable="true" id="1">
-    <density units="g/cm3" value="10.0" />
-    <nuclide ao="1.0" name="U235" />
-  </material>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>eigenvalue</run_mode>
-  <particles>1000</particles>
-  <batches>5</batches>
-  <inactive>2</inactive>
-  <source strength="1.0">
-    <space type="point">
-      <parameters>0 0 0</parameters>
-    </space>
-  </source>
-  <photon_transport>true</photon_transport>
-</settings>
-<?xml version='1.0' encoding='utf-8'?>
-<tallies>
-  <filter id="1" type="particle">
-    <bins>neutron photon</bins>
-  </filter>
-  <tally id="1">
-    <filters>1</filters>
-    <nuclides>U235 total</nuclides>
-    <scores>fission heating-local</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="2">
-    <filters>1</filters>
-    <nuclides>U235 total</nuclides>
-    <scores>fission heating heating-local</scores>
-    <estimator>collision</estimator>
-  </tally>
-  <tally id="3">
-    <filters>1</filters>
-    <nuclides>U235 total</nuclides>
-    <scores>fission heating heating-local</scores>
-    <estimator>analog</estimator>
-  </tally>
-</tallies>
+<model>
+  <materials>
+    <material depletable="true" id="1">
+      <density units="g/cm3" value="10.0" />
+      <nuclide ao="1.0" name="U235" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="-1" universe="1" />
+    <surface boundary="reflective" coeffs="0.0 0.0 0.0 100.0" id="1" type="sphere" />
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>1000</particles>
+    <batches>5</batches>
+    <inactive>2</inactive>
+    <source strength="1.0">
+      <space type="point">
+        <parameters>0 0 0</parameters>
+      </space>
+    </source>
+    <photon_transport>true</photon_transport>
+  </settings>
+  <tallies>
+    <filter id="1" type="particle">
+      <bins>neutron photon</bins>
+    </filter>
+    <tally id="1">
+      <filters>1</filters>
+      <nuclides>U235 total</nuclides>
+      <scores>fission heating-local</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="2">
+      <filters>1</filters>
+      <nuclides>U235 total</nuclides>
+      <scores>fission heating heating-local</scores>
+      <estimator>collision</estimator>
+    </tally>
+    <tally id="3">
+      <filters>1</filters>
+      <nuclides>U235 total</nuclides>
+      <scores>fission heating heating-local</scores>
+      <estimator>analog</estimator>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/photon_source/inputs_true.dat b/tests/regression_tests/photon_source/inputs_true.dat
index f7c9c24b4..4c61b47fc 100644
--- a/tests/regression_tests/photon_source/inputs_true.dat
+++ b/tests/regression_tests/photon_source/inputs_true.dat
@@ -1,45 +1,44 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell id="13" material="13" region="-9" universe="9" />
-  <surface boundary="reflective" coeffs="0.0 0.0 0.0 1000000000.0" id="9" type="sphere" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-  <material id="13">
-    <density units="g/cm3" value="0.998207" />
-    <nuclide ao="0.11187657362844" name="H1" />
-    <nuclide ao="1.7426371559999997e-05" name="H2" />
-    <nuclide ao="0.8877694078259999" name="O16" />
-    <nuclide ao="0.000336592174" name="O17" />
-  </material>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>fixed source</run_mode>
-  <particles>10000</particles>
-  <batches>1</batches>
-  <source particle="photon" strength="1.0">
-    <space type="point">
-      <parameters>0 0 0</parameters>
-    </space>
-    <angle type="isotropic" />
-    <energy type="discrete">
-      <parameters>10000000.0 1.0</parameters>
-    </energy>
-  </source>
-  <electron_treatment>ttb</electron_treatment>
-  <photon_transport>true</photon_transport>
-  <cutoff>
-    <energy_photon>1000.0</energy_photon>
-  </cutoff>
-</settings>
-<?xml version='1.0' encoding='utf-8'?>
-<tallies>
-  <filter id="1" type="particle">
-    <bins>photon</bins>
-  </filter>
-  <tally id="1">
-    <filters>1</filters>
-    <scores>flux (n,gamma)</scores>
-  </tally>
-</tallies>
+<model>
+  <materials>
+    <material id="1">
+      <density units="g/cm3" value="0.998207" />
+      <nuclide ao="0.11187657362844" name="H1" />
+      <nuclide ao="1.7426371559999997e-05" name="H2" />
+      <nuclide ao="0.8877694078259999" name="O16" />
+      <nuclide ao="0.000336592174" name="O17" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="-1" universe="1" />
+    <surface boundary="reflective" coeffs="0.0 0.0 0.0 1000000000.0" id="1" type="sphere" />
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>10000</particles>
+    <batches>1</batches>
+    <source particle="photon" strength="1.0">
+      <space type="point">
+        <parameters>0 0 0</parameters>
+      </space>
+      <angle type="isotropic" />
+      <energy type="discrete">
+        <parameters>10000000.0 1.0</parameters>
+      </energy>
+    </source>
+    <electron_treatment>ttb</electron_treatment>
+    <photon_transport>true</photon_transport>
+    <cutoff>
+      <energy_photon>1000.0</energy_photon>
+    </cutoff>
+  </settings>
+  <tallies>
+    <filter id="1" type="particle">
+      <bins>photon</bins>
+    </filter>
+    <tally id="1">
+      <filters>1</filters>
+      <scores>flux (n,gamma)</scores>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/photon_source/test.py b/tests/regression_tests/photon_source/test.py
index a2bfb9038..d4b4a69fd 100644
--- a/tests/regression_tests/photon_source/test.py
+++ b/tests/regression_tests/photon_source/test.py
@@ -7,20 +7,19 @@ from tests.testing_harness import PyAPITestHarness
 
 
 class SourceTestHarness(PyAPITestHarness):
-    def _build_inputs(self):
+    def __init__(self, *args, **kwargs):
+        super().__init__(*args, **kwargs)
         mat = openmc.Material()
         mat.set_density('g/cm3', 0.998207)
         mat.add_element('H', 0.111894)
         mat.add_element('O', 0.888106)
-        materials = openmc.Materials([mat])
-        materials.export_to_xml()
+        self._model.materials = openmc.Materials([mat])
 
         sphere = openmc.Sphere(r=1.0e9, boundary_type='reflective')
         inside_sphere = openmc.Cell()
         inside_sphere.region = -sphere
         inside_sphere.fill = mat
-        geometry = openmc.Geometry([inside_sphere])
-        geometry.export_to_xml()
+        self._model.geometry = openmc.Geometry([inside_sphere])
 
         source = openmc.Source()
         source.space = openmc.stats.Point((0, 0, 0))
@@ -36,16 +35,16 @@ class SourceTestHarness(PyAPITestHarness):
         settings.cutoff = {'energy_photon' : 1000.0}
         settings.run_mode = 'fixed source'
         settings.source = source
-        settings.export_to_xml()
+        self._model.settings = settings
 
         particle_filter = openmc.ParticleFilter('photon')
         tally = openmc.Tally()
         tally.filters = [particle_filter]
         tally.scores = ['flux', '(n,gamma)']
         tallies = openmc.Tallies([tally])
-        tallies.export_to_xml()
+        self._model.tallies = tallies
 
 
 def test_photon_source():
-    harness = SourceTestHarness('statepoint.1.h5')
+    harness = SourceTestHarness('statepoint.1.h5', model=openmc.Model())
     harness.main()
diff --git a/tests/regression_tests/resonance_scattering/inputs_true.dat b/tests/regression_tests/resonance_scattering/inputs_true.dat
index 57a5e1a4b..7165fa72b 100644
--- a/tests/regression_tests/resonance_scattering/inputs_true.dat
+++ b/tests/regression_tests/resonance_scattering/inputs_true.dat
@@ -1,34 +1,34 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell id="1" material="1" region="-9" universe="0" />
-  <surface boundary="reflective" coeffs="100" id="9" type="x-plane" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-  <material depletable="true" id="1">
-    <density units="g/cc" value="1.0" />
-    <nuclide ao="1.0" name="U238" />
-    <nuclide ao="0.02" name="U235" />
-    <nuclide ao="0.02" name="Pu239" />
-    <nuclide ao="20.0" name="H1" />
-  </material>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>eigenvalue</run_mode>
-  <particles>1000</particles>
-  <batches>10</batches>
-  <inactive>5</inactive>
-  <source strength="1.0">
-    <space type="box">
-      <parameters>-4 -4 -4 4 4 4</parameters>
-    </space>
-  </source>
-  <resonance_scattering>
-    <enable>true</enable>
-    <method>rvs</method>
-    <energy_min>1.0</energy_min>
-    <energy_max>210.0</energy_max>
-    <nuclides>U238 U235 Pu239</nuclides>
-  </resonance_scattering>
-</settings>
+<model>
+  <materials>
+    <material depletable="true" id="1">
+      <density units="g/cc" value="1.0" />
+      <nuclide ao="1.0" name="U238" />
+      <nuclide ao="0.02" name="U235" />
+      <nuclide ao="0.02" name="Pu239" />
+      <nuclide ao="20.0" name="H1" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="-1" universe="0" />
+    <surface boundary="reflective" coeffs="100" id="1" type="x-plane" />
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>1000</particles>
+    <batches>10</batches>
+    <inactive>5</inactive>
+    <source strength="1.0">
+      <space type="box">
+        <parameters>-4 -4 -4 4 4 4</parameters>
+      </space>
+    </source>
+    <resonance_scattering>
+      <enable>true</enable>
+      <method>rvs</method>
+      <energy_min>1.0</energy_min>
+      <energy_max>210.0</energy_max>
+      <nuclides>U238 U235 Pu239</nuclides>
+    </resonance_scattering>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/resonance_scattering/test.py b/tests/regression_tests/resonance_scattering/test.py
index e77dd9258..d9f76fac5 100644
--- a/tests/regression_tests/resonance_scattering/test.py
+++ b/tests/regression_tests/resonance_scattering/test.py
@@ -4,7 +4,8 @@ from tests.testing_harness import PyAPITestHarness
 
 
 class ResonanceScatteringTestHarness(PyAPITestHarness):
-    def _build_inputs(self):
+    def __init__(self, *args, **kwargs):
+        super().__init__(*args, **kwargs)
         # Materials
         mat = openmc.Material(material_id=1)
         mat.set_density('g/cc', 1.0)
@@ -13,15 +14,13 @@ class ResonanceScatteringTestHarness(PyAPITestHarness):
         mat.add_nuclide('Pu239', 0.02)
         mat.add_nuclide('H1', 20.0)
 
-        mats_file = openmc.Materials([mat])
-        mats_file.export_to_xml()
+        self._model.materials = openmc.Materials([mat])
 
         # Geometry
         dumb_surface = openmc.XPlane(100, boundary_type='reflective')
         c1 = openmc.Cell(cell_id=1, fill=mat, region=-dumb_surface)
         root_univ = openmc.Universe(universe_id=0, cells=[c1])
-        geometry = openmc.Geometry(root_univ)
-        geometry.export_to_xml()
+        self._model.geometry = openmc.Geometry(root_univ)
 
         # Resonance elastic scattering settings
         res_scat_settings = {
@@ -39,9 +38,10 @@ class ResonanceScatteringTestHarness(PyAPITestHarness):
         settings.source = openmc.source.Source(
              space=openmc.stats.Box([-4, -4, -4], [4, 4, 4]))
         settings.resonance_scattering = res_scat_settings
-        settings.export_to_xml()
+        self._model.settings = settings
 
 
 def test_resonance_scattering():
-    harness = ResonanceScatteringTestHarness('statepoint.10.h5')
+    harness = ResonanceScatteringTestHarness('statepoint.10.h5',
+                                             model=openmc.Model())
     harness.main()
diff --git a/tests/regression_tests/salphabeta/inputs_true.dat b/tests/regression_tests/salphabeta/inputs_true.dat
index 29d8065cf..31a81b2c8 100644
--- a/tests/regression_tests/salphabeta/inputs_true.dat
+++ b/tests/regression_tests/salphabeta/inputs_true.dat
@@ -1,60 +1,60 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell id="1" material="1" region="1 -2" universe="1" />
-  <cell id="2" material="2" region="2 -3" universe="1" />
-  <cell id="3" material="3" region="3 -4" universe="1" />
-  <cell id="4" material="4" region="4 -5" universe="1" />
-  <surface boundary="vacuum" coeffs="-10" id="1" type="x-plane" />
-  <surface coeffs="-5" id="2" type="x-plane" />
-  <surface coeffs="0" id="3" type="x-plane" />
-  <surface coeffs="5" id="4" type="x-plane" />
-  <surface boundary="vacuum" coeffs="10" id="5" type="x-plane" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-  <material depletable="true" id="1">
-    <density units="g/cc" value="4.5" />
-    <nuclide ao="1.0" name="U235" />
-    <nuclide ao="1.0" name="H1" />
-    <sab fraction="0.5" name="c_H_in_H2O" />
-  </material>
-  <material depletable="true" id="2">
-    <density units="g/cc" value="4.5" />
-    <nuclide ao="1.0" name="U235" />
-    <nuclide ao="1.0" name="C0" />
-    <sab name="c_Graphite" />
-  </material>
-  <material depletable="true" id="3">
-    <density units="g/cc" value="4.5" />
-    <nuclide ao="1.0" name="U235" />
-    <nuclide ao="1.0" name="Be9" />
-    <nuclide ao="1.0" name="O16" />
-    <sab name="c_Be_in_BeO" />
-    <sab name="c_O_in_BeO" />
-  </material>
-  <material depletable="true" id="4">
-    <density units="g/cm3" value="5.90168" />
-    <nuclide ao="0.3" name="H1" />
-    <nuclide ao="0.15" name="Zr90" />
-    <nuclide ao="0.1" name="Zr91" />
-    <nuclide ao="0.1" name="Zr92" />
-    <nuclide ao="0.05" name="Zr94" />
-    <nuclide ao="0.05" name="Zr96" />
-    <nuclide ao="0.1" name="U235" />
-    <nuclide ao="0.15" name="U238" />
-    <sab name="c_Zr_in_ZrH" />
-    <sab name="c_H_in_ZrH" />
-  </material>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>eigenvalue</run_mode>
-  <particles>400</particles>
-  <batches>5</batches>
-  <inactive>0</inactive>
-  <source strength="1.0">
-    <space type="box">
-      <parameters>-4 -4 -4 4 4 4</parameters>
-    </space>
-  </source>
-</settings>
+<model>
+  <materials>
+    <material depletable="true" id="1">
+      <density units="g/cc" value="4.5" />
+      <nuclide ao="1.0" name="U235" />
+      <nuclide ao="1.0" name="H1" />
+      <sab fraction="0.5" name="c_H_in_H2O" />
+    </material>
+    <material depletable="true" id="2">
+      <density units="g/cc" value="4.5" />
+      <nuclide ao="1.0" name="U235" />
+      <nuclide ao="1.0" name="C0" />
+      <sab name="c_Graphite" />
+    </material>
+    <material depletable="true" id="3">
+      <density units="g/cc" value="4.5" />
+      <nuclide ao="1.0" name="U235" />
+      <nuclide ao="1.0" name="Be9" />
+      <nuclide ao="1.0" name="O16" />
+      <sab name="c_Be_in_BeO" />
+      <sab name="c_O_in_BeO" />
+    </material>
+    <material depletable="true" id="4">
+      <density units="g/cm3" value="5.90168" />
+      <nuclide ao="0.3" name="H1" />
+      <nuclide ao="0.15" name="Zr90" />
+      <nuclide ao="0.1" name="Zr91" />
+      <nuclide ao="0.1" name="Zr92" />
+      <nuclide ao="0.05" name="Zr94" />
+      <nuclide ao="0.05" name="Zr96" />
+      <nuclide ao="0.1" name="U235" />
+      <nuclide ao="0.15" name="U238" />
+      <sab name="c_Zr_in_ZrH" />
+      <sab name="c_H_in_ZrH" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="1 -2" universe="1" />
+    <cell id="2" material="2" region="2 -3" universe="1" />
+    <cell id="3" material="3" region="3 -4" universe="1" />
+    <cell id="4" material="4" region="4 -5" universe="1" />
+    <surface boundary="vacuum" coeffs="-10" id="1" type="x-plane" />
+    <surface coeffs="-5" id="2" type="x-plane" />
+    <surface coeffs="0" id="3" type="x-plane" />
+    <surface coeffs="5" id="4" type="x-plane" />
+    <surface boundary="vacuum" coeffs="10" id="5" type="x-plane" />
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>400</particles>
+    <batches>5</batches>
+    <inactive>0</inactive>
+    <source strength="1.0">
+      <space type="box">
+        <parameters>-4 -4 -4 4 4 4</parameters>
+      </space>
+    </source>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/score_current/inputs_true.dat b/tests/regression_tests/score_current/inputs_true.dat
index 2b81f508f..f9c9ba494 100644
--- a/tests/regression_tests/score_current/inputs_true.dat
+++ b/tests/regression_tests/score_current/inputs_true.dat
@@ -1,55 +1,54 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell id="1" material="1" region="1 -2 3 -4 10 -9" universe="1" />
-  <cell id="2" material="2" region="~(1 -2 3 -4) (5 -6 7 -8) 10 -9" universe="1" />
-  <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane" />
-  <surface coeffs="5.0" id="2" name="maximum x" type="x-plane" />
-  <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane" />
-  <surface coeffs="5.0" id="4" name="maximum y" type="y-plane" />
-  <surface boundary="reflective" coeffs="-10.0" id="5" name="minimum x" type="x-plane" />
-  <surface boundary="reflective" coeffs="10.0" id="6" name="maximum x" type="x-plane" />
-  <surface boundary="reflective" coeffs="-10.0" id="7" name="minimum y" type="y-plane" />
-  <surface boundary="reflective" coeffs="10.0" id="8" name="maximum y" type="y-plane" />
-  <surface boundary="vacuum" coeffs="10.0" id="9" type="z-plane" />
-  <surface boundary="vacuum" coeffs="-10.0" id="10" type="z-plane" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-  <material depletable="true" id="1">
-    <density units="g/cm3" value="10.0" />
-    <nuclide ao="1.0" name="U235" />
-  </material>
-  <material id="2">
-    <density units="g/cm3" value="1.0" />
-    <nuclide ao="1.0" name="Zr90" />
-  </material>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>eigenvalue</run_mode>
-  <particles>1000</particles>
-  <batches>5</batches>
-  <inactive>0</inactive>
-</settings>
-<?xml version='1.0' encoding='utf-8'?>
-<tallies>
-  <mesh id="1">
-    <dimension>3 3 3</dimension>
-    <lower_left>-10.0 -10.0 -10.0</lower_left>
-    <upper_right>10.0 10.0 10.0</upper_right>
-  </mesh>
-  <filter id="1" type="meshsurface">
-    <bins>1</bins>
-  </filter>
-  <filter id="2" type="energy">
-    <bins>0.0 0.253 20000000.0</bins>
-  </filter>
-  <tally id="1">
-    <filters>1</filters>
-    <scores>current</scores>
-  </tally>
-  <tally id="2">
-    <filters>1 2</filters>
-    <scores>current</scores>
-  </tally>
-</tallies>
+<model>
+  <materials>
+    <material depletable="true" id="1">
+      <density units="g/cm3" value="10.0" />
+      <nuclide ao="1.0" name="U235" />
+    </material>
+    <material id="2">
+      <density units="g/cm3" value="1.0" />
+      <nuclide ao="1.0" name="Zr90" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="1 -2 3 -4 10 -9" universe="1" />
+    <cell id="2" material="2" region="~(1 -2 3 -4) (5 -6 7 -8) 10 -9" universe="1" />
+    <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane" />
+    <surface coeffs="5.0" id="2" name="maximum x" type="x-plane" />
+    <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane" />
+    <surface coeffs="5.0" id="4" name="maximum y" type="y-plane" />
+    <surface boundary="reflective" coeffs="-10.0" id="5" name="minimum x" type="x-plane" />
+    <surface boundary="reflective" coeffs="10.0" id="6" name="maximum x" type="x-plane" />
+    <surface boundary="reflective" coeffs="-10.0" id="7" name="minimum y" type="y-plane" />
+    <surface boundary="reflective" coeffs="10.0" id="8" name="maximum y" type="y-plane" />
+    <surface boundary="vacuum" coeffs="10.0" id="9" type="z-plane" />
+    <surface boundary="vacuum" coeffs="-10.0" id="10" type="z-plane" />
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>1000</particles>
+    <batches>5</batches>
+    <inactive>0</inactive>
+  </settings>
+  <tallies>
+    <mesh id="1">
+      <dimension>3 3 3</dimension>
+      <lower_left>-10.0 -10.0 -10.0</lower_left>
+      <upper_right>10.0 10.0 10.0</upper_right>
+    </mesh>
+    <filter id="1" type="meshsurface">
+      <bins>1</bins>
+    </filter>
+    <filter id="2" type="energy">
+      <bins>0.0 0.253 20000000.0</bins>
+    </filter>
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diff --git a/tests/regression_tests/source/inputs_true.dat b/tests/regression_tests/source/inputs_true.dat
index c9c9c4277..adf60c814 100644
--- a/tests/regression_tests/source/inputs_true.dat
+++ b/tests/regression_tests/source/inputs_true.dat
@@ -1,150 +1,150 @@
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+      <space type="box">
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+    <source strength="0.1">
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+      <angle type="isotropic" />
+      <energy type="mixture">
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+        <pair probability="2">
+          <dist parameters="988000.0 2.249e-06" type="watt" />
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+          </dist>
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+    </source>
+    <source strength="0.1">
+      <space origin="1.0 1.0 0.0" type="spherical">
+        <r parameters="2.0 3.0 2.0" type="powerlaw" />
+        <cos_theta type="discrete">
+          <parameters>0.7071067811865476 0.0 -0.7071067811865475 0.3 0.4 0.3</parameters>
+        </cos_theta>
+        <phi parameters="0.0 6.283185307179586" type="uniform" />
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+      <angle type="isotropic" />
+      <energy type="mixture">
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+          <dist parameters="1289500.0" type="maxwell" />
+        </pair>
+        <pair probability="2">
+          <dist parameters="988000.0 2.249e-06" type="watt" />
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+      </energy>
+      <time parameters="2 5" type="uniform" />
+    </source>
+    <source strength="0.1">
+      <space origin="1.0 1.0 0.0" type="cylindrical">
+        <r parameters="2.0 3.0 1.0" type="powerlaw" />
+        <phi parameters="0.0 6.283185307179586" type="uniform" />
+        <z interpolation="linear-linear" type="tabular">
+          <parameters>-2.0 0.0 2.0 0.2 0.3 0.2</parameters>
+        </z>
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+      <energy type="mixture">
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+        <pair probability="2">
+          <dist parameters="988000.0 2.249e-06" type="watt" />
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+            <parameters>1.0 1.3894954943731377 1.93069772888325 2.6826957952797255 3.72759372031494 5.17947467923121 7.196856730011519 10.0 13.894954943731374 19.306977288832496 26.826957952797247 37.2759372031494 51.7947467923121 71.96856730011518 100.0 138.94954943731375 193.06977288832496 268.26957952797244 372.7593720314938 517.9474679231207 719.6856730011514 1000.0 1389.4954943731375 1930.6977288832495 2682.6957952797247 3727.593720314938 5179.474679231207 7196.856730011514 10000.0 13894.95494373136 19306.977288832495 26826.95795279722 37275.93720314938 51794.74679231213 71968.56730011514 100000.0 138949.5494373136 193069.77288832495 268269.5795279722 372759.3720314938 517947.4679231202 719685.6730011514 1000000.0 1389495.494373136 1930697.7288832497 2682695.7952797217 3727593.720314938 5179474.679231202 7196856.730011513 10000000.0 0.0 2.9086439299358713e-08 5.80533561806147e-08 8.67817193689187e-08 1.1515347785771536e-07 1.4305204600565115e-07 1.7036278261198208e-07 1.9697346200185813e-07 2.227747351856934e-07 2.4766057919761985e-07 2.715287327665956e-07 2.9428111652990295e-07 3.1582423606228735e-07 3.360695660646056e-07 3.549339141332686e-07 3.723397626156721e-07 3.882155871468592e-07 4.024961505584776e-07 4.151227709522976e-07 4.260435628367196e-07 4.3521365033538783e-07 4.4259535159179273e-07 4.4815833361210174e-07 4.5187973690993757e-07 4.5374426944091084e-07 4.5374426944091084e-07 4.5187973690993757e-07 4.4815833361210174e-07 4.4259535159179273e-07 4.352136503353879e-07 4.2604356283671966e-07 4.1512277095229767e-07 4.0249615055847764e-07 3.8821558714685926e-07 3.723397626156722e-07 3.5493391413326864e-07 3.360695660646057e-07 3.158242360622874e-07 2.942811165299031e-07 2.715287327665957e-07 2.4766057919762e-07 2.2277473518569352e-07 1.9697346200185819e-07 1.7036278261198226e-07 1.4305204600565126e-07 1.1515347785771556e-07 8.678171936891881e-08 5.805335618061493e-08 2.9086439299358858e-08 5.559621115282002e-23</parameters>
+          </dist>
+        </pair>
+      </energy>
+      <time parameters="2 5" type="uniform" />
+    </source>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/source/test.py b/tests/regression_tests/source/test.py
index a1175c48f..af9e67baa 100644
--- a/tests/regression_tests/source/test.py
+++ b/tests/regression_tests/source/test.py
@@ -7,12 +7,12 @@ from tests.testing_harness import PyAPITestHarness
 
 
 class SourceTestHarness(PyAPITestHarness):
-    def _build_inputs(self):
+    def __init__(self, *args, **kwargs):
+        super().__init__(*args, **kwargs)
         mat1 = openmc.Material(material_id=1, temperature=294)
         mat1.set_density('g/cm3', 4.5)
         mat1.add_nuclide(openmc.Nuclide('U235'), 1.0)
-        materials = openmc.Materials([mat1])
-        materials.export_to_xml()
+        self._model.materials = openmc.Materials([mat1])
 
         sphere = openmc.Sphere(surface_id=1, r=10.0, boundary_type='vacuum')
         inside_sphere = openmc.Cell(cell_id=1)
@@ -21,9 +21,7 @@ class SourceTestHarness(PyAPITestHarness):
 
         root = openmc.Universe(universe_id=0)
         root.add_cell(inside_sphere)
-        geometry = openmc.Geometry()
-        geometry.root_universe = root
-        geometry.export_to_xml()
+        self._model.geometry = openmc.Geometry(root)
 
         # Create an array of different sources
         x_dist = openmc.stats.Uniform(-3., 3.)
@@ -84,9 +82,9 @@ class SourceTestHarness(PyAPITestHarness):
         settings.inactive = 5
         settings.particles = 1000
         settings.source = [source1, source2, source3, source4, source5, source6, source7, source8]
-        settings.export_to_xml()
+        self._model.settings = settings
 
 
 def test_source():
-    harness = SourceTestHarness('statepoint.10.h5')
+    harness = SourceTestHarness('statepoint.10.h5', model=openmc.Model())
     harness.main()
diff --git a/tests/regression_tests/source_dlopen/inputs_true.dat b/tests/regression_tests/source_dlopen/inputs_true.dat
index 23878ac20..1a447ae3d 100644
--- a/tests/regression_tests/source_dlopen/inputs_true.dat
+++ b/tests/regression_tests/source_dlopen/inputs_true.dat
@@ -1,23 +1,23 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell id="1" material="1" region="-1" universe="1" />
-  <surface boundary="vacuum" coeffs="0.0 0.0 0.0 100" id="1" type="sphere" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-  <material id="1" name="natural_lead">
-    <density units="g/cm3" value="11.34" />
-    <nuclide ao="0.014" name="Pb204" />
-    <nuclide ao="0.241" name="Pb206" />
-    <nuclide ao="0.221" name="Pb207" />
-    <nuclide ao="0.524" name="Pb208" />
-  </material>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>fixed source</run_mode>
-  <particles>1000</particles>
-  <batches>10</batches>
-  <inactive>0</inactive>
-  <source library="build/libsource.so" strength="1.0" />
-</settings>
+<model>
+  <materials>
+    <material id="1" name="natural_lead">
+      <density units="g/cm3" value="11.34" />
+      <nuclide ao="0.014" name="Pb204" />
+      <nuclide ao="0.241" name="Pb206" />
+      <nuclide ao="0.221" name="Pb207" />
+      <nuclide ao="0.524" name="Pb208" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="-1" universe="1" />
+    <surface boundary="vacuum" coeffs="0.0 0.0 0.0 100" id="1" type="sphere" />
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>1000</particles>
+    <batches>10</batches>
+    <inactive>0</inactive>
+    <source library="build/libsource.so" strength="1.0" />
+  </settings>
+  </model>
diff --git a/tests/regression_tests/source_parameterized_dlopen/inputs_true.dat b/tests/regression_tests/source_parameterized_dlopen/inputs_true.dat
index f4a0eba73..208030e2e 100644
--- a/tests/regression_tests/source_parameterized_dlopen/inputs_true.dat
+++ b/tests/regression_tests/source_parameterized_dlopen/inputs_true.dat
@@ -1,23 +1,23 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell id="1" material="1" region="-1" universe="1" />
-  <surface boundary="vacuum" coeffs="0.0 0.0 0.0 100" id="1" type="sphere" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-  <material id="1" name="natural_lead">
-    <density units="g/cm3" value="11.34" />
-    <nuclide ao="0.014" name="Pb204" />
-    <nuclide ao="0.241" name="Pb206" />
-    <nuclide ao="0.221" name="Pb207" />
-    <nuclide ao="0.524" name="Pb208" />
-  </material>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>fixed source</run_mode>
-  <particles>1000</particles>
-  <batches>10</batches>
-  <inactive>0</inactive>
-  <source library="build/libsource.so" parameters="1e3" strength="1.0" />
-</settings>
+<model>
+  <materials>
+    <material id="1" name="natural_lead">
+      <density units="g/cm3" value="11.34" />
+      <nuclide ao="0.014" name="Pb204" />
+      <nuclide ao="0.241" name="Pb206" />
+      <nuclide ao="0.221" name="Pb207" />
+      <nuclide ao="0.524" name="Pb208" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="-1" universe="1" />
+    <surface boundary="vacuum" coeffs="0.0 0.0 0.0 100" id="1" type="sphere" />
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>1000</particles>
+    <batches>10</batches>
+    <inactive>0</inactive>
+    <source library="build/libsource.so" parameters="1e3" strength="1.0" />
+  </settings>
+  </model>
diff --git a/tests/regression_tests/surface_source/inputs_true_read.dat b/tests/regression_tests/surface_source/inputs_true_read.dat
index 3a122c737..fb843a6d1 100644
--- a/tests/regression_tests/surface_source/inputs_true_read.dat
+++ b/tests/regression_tests/surface_source/inputs_true_read.dat
@@ -1,34 +1,33 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell id="1" material="void" region="-1" universe="1" />
-  <cell id="2" material="void" region="1 -2" universe="1" />
-  <cell id="3" material="void" region="2 -3" universe="1" />
-  <cell id="4" material="void" region="3 -4" universe="1" />
-  <surface coeffs="0.0 0.0 0.0 1.0" id="1" type="sphere" />
-  <surface coeffs="0.0 0.0 0.0 2.0" id="2" type="sphere" />
-  <surface coeffs="0.0 0.0 0.0 2.5" id="3" type="sphere" />
-  <surface boundary="vacuum" coeffs="0.0 0.0 0.0 4.0" id="4" type="sphere" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>fixed source</run_mode>
-  <particles>1000</particles>
-  <batches>10</batches>
-  <surf_source_read>
-    <path>surface_source_true.h5</path>
-  </surf_source_read>
-  <seed>1</seed>
-</settings>
-<?xml version='1.0' encoding='utf-8'?>
-<tallies>
-  <filter id="1" type="cell">
-    <bins>3</bins>
-  </filter>
-  <tally id="1">
-    <filters>1</filters>
-    <scores>flux</scores>
-  </tally>
-</tallies>
+<model>
+  <materials>
+  </materials>
+  <geometry>
+    <cell id="1" material="void" region="-1" universe="1" />
+    <cell id="2" material="void" region="1 -2" universe="1" />
+    <cell id="3" material="void" region="2 -3" universe="1" />
+    <cell id="4" material="void" region="3 -4" universe="1" />
+    <surface coeffs="0.0 0.0 0.0 1.0" id="1" type="sphere" />
+    <surface coeffs="0.0 0.0 0.0 2.0" id="2" type="sphere" />
+    <surface coeffs="0.0 0.0 0.0 2.5" id="3" type="sphere" />
+    <surface boundary="vacuum" coeffs="0.0 0.0 0.0 4.0" id="4" type="sphere" />
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>1000</particles>
+    <batches>10</batches>
+    <surf_source_read>
+      <path>surface_source_true.h5</path>
+    </surf_source_read>
+    <seed>1</seed>
+  </settings>
+  <tallies>
+    <filter id="1" type="cell">
+      <bins>3</bins>
+    </filter>
+    <tally id="1">
+      <filters>1</filters>
+      <scores>flux</scores>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/surface_source/inputs_true_write.dat b/tests/regression_tests/surface_source/inputs_true_write.dat
index 48dde9900..dbdf22395 100644
--- a/tests/regression_tests/surface_source/inputs_true_write.dat
+++ b/tests/regression_tests/surface_source/inputs_true_write.dat
@@ -1,40 +1,39 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell id="1" material="void" region="-1" universe="1" />
-  <cell id="2" material="void" region="1 -2" universe="1" />
-  <cell id="3" material="void" region="2 -3" universe="1" />
-  <cell id="4" material="void" region="3 -4" universe="1" />
-  <surface coeffs="0.0 0.0 0.0 1.0" id="1" type="sphere" />
-  <surface coeffs="0.0 0.0 0.0 2.0" id="2" type="sphere" />
-  <surface coeffs="0.0 0.0 0.0 2.5" id="3" type="sphere" />
-  <surface boundary="vacuum" coeffs="0.0 0.0 0.0 4.0" id="4" type="sphere" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>fixed source</run_mode>
-  <particles>1000</particles>
-  <batches>10</batches>
-  <source strength="1.0">
-    <space type="point">
-      <parameters>0 0 0</parameters>
-    </space>
-  </source>
-  <surf_source_write>
-    <surface_ids>1</surface_ids>
-    <max_particles>1000</max_particles>
-  </surf_source_write>
-  <seed>1</seed>
-</settings>
-<?xml version='1.0' encoding='utf-8'?>
-<tallies>
-  <filter id="1" type="cell">
-    <bins>3</bins>
-  </filter>
-  <tally id="1">
-    <filters>1</filters>
-    <scores>flux</scores>
-  </tally>
-</tallies>
+<model>
+  <materials>
+  </materials>
+  <geometry>
+    <cell id="1" material="void" region="-1" universe="1" />
+    <cell id="2" material="void" region="1 -2" universe="1" />
+    <cell id="3" material="void" region="2 -3" universe="1" />
+    <cell id="4" material="void" region="3 -4" universe="1" />
+    <surface coeffs="0.0 0.0 0.0 1.0" id="1" type="sphere" />
+    <surface coeffs="0.0 0.0 0.0 2.0" id="2" type="sphere" />
+    <surface coeffs="0.0 0.0 0.0 2.5" id="3" type="sphere" />
+    <surface boundary="vacuum" coeffs="0.0 0.0 0.0 4.0" id="4" type="sphere" />
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>1000</particles>
+    <batches>10</batches>
+    <source strength="1.0">
+      <space type="point">
+        <parameters>0 0 0</parameters>
+      </space>
+    </source>
+    <surf_source_write>
+      <surface_ids>1</surface_ids>
+      <max_particles>1000</max_particles>
+    </surf_source_write>
+    <seed>1</seed>
+  </settings>
+  <tallies>
+    <filter id="1" type="cell">
+      <bins>3</bins>
+    </filter>
+    <tally id="1">
+      <filters>1</filters>
+      <scores>flux</scores>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/surface_source/surface_source_true.h5 b/tests/regression_tests/surface_source/surface_source_true.h5
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zt?B+9F~8OH^+ZB#G?r&Hw#=0Lq&2IJyCW*wI^*7t&?+;W4~)4iaw^Gsro`C)z?U?z
zM939dw8a$utf%ibj!yWrxWzbTs5`~TDX3%{O!uFdp5b9c$uH`L<7sES58I4<r|!!)
Z-B;?|@FM;~<l%Ul1ht}z@BF{N{{txqTS))_

diff --git a/tests/regression_tests/surface_tally/inputs_true.dat b/tests/regression_tests/surface_tally/inputs_true.dat
index 96639a076..1a8907955 100644
--- a/tests/regression_tests/surface_tally/inputs_true.dat
+++ b/tests/regression_tests/surface_tally/inputs_true.dat
@@ -1,103 +1,102 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell id="13" material="13" name="fuel" region="-1" universe="9" />
-  <cell id="14" material="14" name="water" region="1 -3 9 -10" universe="9" />
-  <cell fill="9" id="15" name="root cell" region="2 -3 9 -10" universe="0" />
-  <surface coeffs="0 0 1" id="1" name="Fuel OR" type="z-cylinder" />
-  <surface boundary="vacuum" coeffs="-2" id="2" name="left" type="x-plane" />
-  <surface boundary="reflective" coeffs="2" id="3" name="right" type="x-plane" />
-  <surface boundary="reflective" coeffs="-2" id="9" name="bottom" type="y-plane" />
-  <surface boundary="reflective" coeffs="2" id="10" name="top" type="y-plane" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-  <material depletable="true" id="13" name="UO2 fuel at 2.4% wt enrichment">
-    <density units="g/cc" value="10.0" />
-    <nuclide ao="1.0" name="U238" />
-    <nuclide ao="0.02" name="U235" />
-    <nuclide ao="2.0" name="O16" />
-  </material>
-  <material id="14" name="Borated water">
-    <density units="g/cm3" value="1" />
-    <nuclide ao="0.0001" name="B10" />
-    <nuclide ao="2.0" name="H1" />
-    <nuclide ao="1.0" name="O16" />
-  </material>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>eigenvalue</run_mode>
-  <particles>1000</particles>
-  <batches>10</batches>
-  <inactive>0</inactive>
-  <source strength="1.0">
-    <space type="fission">
-      <parameters>-0.62992 -0.62992 -1 0.62992 0.62992 1</parameters>
-    </space>
-  </source>
-</settings>
-<?xml version='1.0' encoding='utf-8'?>
-<tallies>
-  <filter id="5" type="cellfrom">
-    <bins>13</bins>
-  </filter>
-  <filter id="6" type="cell">
-    <bins>14</bins>
-  </filter>
-  <filter id="1" type="energy">
-    <bins>0.0 4000000.0 20000000.0</bins>
-  </filter>
-  <filter id="2" type="polar">
-    <bins>0.0 0.7853981633974483 3.141592653589793</bins>
-  </filter>
-  <filter id="3" type="azimuthal">
-    <bins>0.0 0.7853981633974483 3.141592653589793</bins>
-  </filter>
-  <filter id="4" type="surface">
-    <bins>1</bins>
-  </filter>
-  <filter id="7" type="cellfrom">
-    <bins>14</bins>
-  </filter>
-  <filter id="8" type="cell">
-    <bins>13</bins>
-  </filter>
-  <filter id="10" type="surface">
-    <bins>2</bins>
-  </filter>
-  <filter id="11" type="surface">
-    <bins>3</bins>
-  </filter>
-  <tally id="1" name="fuel_to_water_1">
-    <filters>5 6 1 2 3</filters>
-    <scores>current</scores>
-  </tally>
-  <tally id="2" name="fuel_to_water_2">
-    <filters>5 4 1 2 3</filters>
-    <scores>current</scores>
-  </tally>
-  <tally id="3" name="water_to_fuel_1">
-    <filters>7 8 1 2 3</filters>
-    <scores>current</scores>
-  </tally>
-  <tally id="4" name="water_to_fuel_2">
-    <filters>7 4 1 2 3</filters>
-    <scores>current</scores>
-  </tally>
-  <tally id="5" name="net_cylinder">
-    <filters>4 1 2 3</filters>
-    <scores>current</scores>
-  </tally>
-  <tally id="6" name="leakage_left">
-    <filters>10 1 2 3</filters>
-    <scores>current</scores>
-  </tally>
-  <tally id="7" name="net_right">
-    <filters>11 1</filters>
-    <scores>current</scores>
-  </tally>
-  <tally id="8" name="net_right">
-    <filters>11 1</filters>
-    <scores>current</scores>
-  </tally>
-</tallies>
+<model>
+  <materials>
+    <material depletable="true" id="1" name="UO2 fuel at 2.4% wt enrichment">
+      <density units="g/cc" value="10.0" />
+      <nuclide ao="1.0" name="U238" />
+      <nuclide ao="0.02" name="U235" />
+      <nuclide ao="2.0" name="O16" />
+    </material>
+    <material id="2" name="Borated water">
+      <density units="g/cm3" value="1" />
+      <nuclide ao="0.0001" name="B10" />
+      <nuclide ao="2.0" name="H1" />
+      <nuclide ao="1.0" name="O16" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" name="fuel" region="-1" universe="1" />
+    <cell id="2" material="2" name="water" region="1 -3 4 -5" universe="1" />
+    <cell fill="1" id="3" name="root cell" region="2 -3 4 -5" universe="0" />
+    <surface coeffs="0 0 1" id="1" name="Fuel OR" type="z-cylinder" />
+    <surface boundary="vacuum" coeffs="-2" id="2" name="left" type="x-plane" />
+    <surface boundary="reflective" coeffs="2" id="3" name="right" type="x-plane" />
+    <surface boundary="reflective" coeffs="-2" id="4" name="bottom" type="y-plane" />
+    <surface boundary="reflective" coeffs="2" id="5" name="top" type="y-plane" />
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>1000</particles>
+    <batches>10</batches>
+    <inactive>0</inactive>
+    <source strength="1.0">
+      <space type="fission">
+        <parameters>-0.62992 -0.62992 -1 0.62992 0.62992 1</parameters>
+      </space>
+    </source>
+  </settings>
+  <tallies>
+    <filter id="5" type="cellfrom">
+      <bins>1</bins>
+    </filter>
+    <filter id="6" type="cell">
+      <bins>2</bins>
+    </filter>
+    <filter id="1" type="energy">
+      <bins>0.0 4000000.0 20000000.0</bins>
+    </filter>
+    <filter id="2" type="polar">
+      <bins>0.0 0.7853981633974483 3.141592653589793</bins>
+    </filter>
+    <filter id="3" type="azimuthal">
+      <bins>0.0 0.7853981633974483 3.141592653589793</bins>
+    </filter>
+    <filter id="4" type="surface">
+      <bins>1</bins>
+    </filter>
+    <filter id="7" type="cellfrom">
+      <bins>2</bins>
+    </filter>
+    <filter id="8" type="cell">
+      <bins>1</bins>
+    </filter>
+    <filter id="10" type="surface">
+      <bins>2</bins>
+    </filter>
+    <filter id="11" type="surface">
+      <bins>3</bins>
+    </filter>
+    <tally id="1" name="fuel_to_water_1">
+      <filters>5 6 1 2 3</filters>
+      <scores>current</scores>
+    </tally>
+    <tally id="2" name="fuel_to_water_2">
+      <filters>5 4 1 2 3</filters>
+      <scores>current</scores>
+    </tally>
+    <tally id="3" name="water_to_fuel_1">
+      <filters>7 8 1 2 3</filters>
+      <scores>current</scores>
+    </tally>
+    <tally id="4" name="water_to_fuel_2">
+      <filters>7 4 1 2 3</filters>
+      <scores>current</scores>
+    </tally>
+    <tally id="5" name="net_cylinder">
+      <filters>4 1 2 3</filters>
+      <scores>current</scores>
+    </tally>
+    <tally id="6" name="leakage_left">
+      <filters>10 1 2 3</filters>
+      <scores>current</scores>
+    </tally>
+    <tally id="7" name="net_right">
+      <filters>11 1</filters>
+      <scores>current</scores>
+    </tally>
+    <tally id="8" name="net_right">
+      <filters>11 1</filters>
+      <scores>current</scores>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/surface_tally/test.py b/tests/regression_tests/surface_tally/test.py
index d21f361e6..001fe6448 100644
--- a/tests/regression_tests/surface_tally/test.py
+++ b/tests/regression_tests/surface_tally/test.py
@@ -6,7 +6,8 @@ from tests.testing_harness import PyAPITestHarness
 
 
 class SurfaceTallyTestHarness(PyAPITestHarness):
-    def _build_inputs(self):
+    def __init__(self, *args, **kwargs):
+        super().__init__(*args, **kwargs)
         # Instantiate some Materials and register the appropriate Nuclides
         uo2 = openmc.Material(name='UO2 fuel at 2.4% wt enrichment')
         uo2.set_density('g/cc', 10.0)
@@ -21,8 +22,7 @@ class SurfaceTallyTestHarness(PyAPITestHarness):
         borated_water.add_nuclide('O16', 1.0)
 
         # Instantiate a Materials collection and export to XML
-        materials_file = openmc.Materials([uo2, borated_water])
-        materials_file.export_to_xml()
+        self._model.materials = openmc.Materials([uo2, borated_water])
 
         # Instantiate ZCylinder surfaces
         fuel_or = openmc.ZCylinder(surface_id=1, x0=0, y0=0, r=1,
@@ -61,8 +61,7 @@ class SurfaceTallyTestHarness(PyAPITestHarness):
         root_univ.add_cell(root_cell)
 
         # Instantiate a Geometry, register the root Universe
-        geometry = openmc.Geometry(root_univ)
-        geometry.export_to_xml()
+        self._model.geometry = openmc.Geometry(root_univ)
 
         # Instantiate a Settings object, set all runtime parameters
         settings_file = openmc.Settings()
@@ -76,7 +75,7 @@ class SurfaceTallyTestHarness(PyAPITestHarness):
         uniform_dist = openmc.stats.Box(bounds[:3], bounds[3:],\
              only_fissionable=True)
         settings_file.source = openmc.source.Source(space=uniform_dist)
-        settings_file.export_to_xml()
+        self._model.settings = settings_file
 
         # Tallies file
         tallies_file = openmc.Tallies()
@@ -156,7 +155,7 @@ class SurfaceTallyTestHarness(PyAPITestHarness):
         surf_tally3.scores = ['current']
         tallies_file.append(surf_tally3)
 
-        tallies_file.export_to_xml()
+        self._model.tallies = tallies_file
 
     def _get_results(self):
         """Digest info in the statepoint and return as a string."""
@@ -174,5 +173,5 @@ class SurfaceTallyTestHarness(PyAPITestHarness):
 
 
 def test_surface_tally():
-    harness = SurfaceTallyTestHarness('statepoint.10.h5')
+    harness = SurfaceTallyTestHarness('statepoint.10.h5', model=openmc.Model())
     harness.main()
diff --git a/tests/regression_tests/tallies/inputs_true.dat b/tests/regression_tests/tallies/inputs_true.dat
index 61daba0d4..e6725024a 100644
--- a/tests/regression_tests/tallies/inputs_true.dat
+++ b/tests/regression_tests/tallies/inputs_true.dat
@@ -1,38 +1,187 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell fill="200" id="1" region="-6 34 -35" universe="0" />
-  <cell fill="201" id="2" region="-6 35 -36" universe="0" />
-  <cell id="3" material="8" region="-7 31 -32" universe="0" />
-  <cell id="4" material="9" region="-5 32 -33" universe="0" />
-  <cell id="5" material="12" region="-5 33 -34" universe="0" />
-  <cell id="6" material="11" region="-5 36 -37" universe="0" />
-  <cell id="7" material="10" region="-5 37 -38" universe="0" />
-  <cell id="8" material="7" region="-7 38 -39" universe="0" />
-  <cell id="9" material="9" region="6 -7 32 -38" universe="0" />
-  <cell id="10" material="5" region="7 -8 31 -39" universe="0" />
-  <cell id="11" material="6" region="5 -6 32 -34" universe="0" />
-  <cell id="12" material="7" region="5 -6 36 -38" universe="0" />
-  <cell id="21" material="1" region="-1" universe="1" />
-  <cell id="22" material="2" region="1 -2" universe="1" />
-  <cell id="23" material="3" region="2" universe="1" />
-  <cell id="24" material="3" region="-3" universe="2" />
-  <cell id="25" material="2" region="3 -4" universe="2" />
-  <cell id="26" material="3" region="4" universe="2" />
-  <cell id="27" material="1" region="-1" universe="3" />
-  <cell id="28" material="2" region="1 -2" universe="3" />
-  <cell id="29" material="4" region="2" universe="3" />
-  <cell id="30" material="4" region="-3" universe="4" />
-  <cell id="31" material="2" region="3 -4" universe="4" />
-  <cell id="32" material="4" region="4" universe="4" />
-  <cell id="50" material="3" region="34 -35" universe="5" />
-  <cell fill="100" id="60" region="34 -35" universe="6" />
-  <cell id="70" material="4" region="35 -36" universe="7" />
-  <cell fill="101" id="80" region="35 -36" universe="8" />
-  <lattice id="100" name="Fuel assembly (lower half)">
-    <pitch>1.26 1.26</pitch>
-    <dimension>17 17</dimension>
-    <lower_left>-10.71 -10.71</lower_left>
-    <universes>
+<model>
+  <materials>
+    <material depletable="true" id="1" name="UOX fuel">
+      <density units="g/cm3" value="10.062" />
+      <nuclide ao="4.9476e-06" name="U234" />
+      <nuclide ao="0.00048218" name="U235" />
+      <nuclide ao="0.021504" name="U238" />
+      <nuclide ao="1.0801e-08" name="Xe135" />
+      <nuclide ao="0.045737" name="O16" />
+    </material>
+    <material id="2" name="Zircaloy">
+      <density units="g/cm3" value="5.77" />
+      <nuclide ao="0.5145" name="Zr90" />
+      <nuclide ao="0.1122" name="Zr91" />
+      <nuclide ao="0.1715" name="Zr92" />
+      <nuclide ao="0.1738" name="Zr94" />
+      <nuclide ao="0.028" name="Zr96" />
+    </material>
+    <material id="3" name="Cold borated water">
+      <density units="atom/b-cm" value="0.07416" />
+      <nuclide ao="2.0" name="H1" />
+      <nuclide ao="1.0" name="O16" />
+      <nuclide ao="0.000649" name="B10" />
+      <nuclide ao="0.002689" name="B11" />
+      <sab name="c_H_in_H2O" />
+    </material>
+    <material id="4" name="Hot borated water">
+      <density units="atom/b-cm" value="0.06614" />
+      <nuclide ao="2.0" name="H1" />
+      <nuclide ao="1.0" name="O16" />
+      <nuclide ao="0.000649" name="B10" />
+      <nuclide ao="0.002689" name="B11" />
+      <sab name="c_H_in_H2O" />
+    </material>
+    <material id="5" name="Reactor pressure vessel steel">
+      <density units="g/cm3" value="7.9" />
+      <nuclide name="Fe54" wo="0.05437098" />
+      <nuclide name="Fe56" wo="0.88500663" />
+      <nuclide name="Fe57" wo="0.0208008" />
+      <nuclide name="Fe58" wo="0.00282159" />
+      <nuclide name="Ni58" wo="0.0067198" />
+      <nuclide name="Ni60" wo="0.0026776" />
+      <nuclide name="Mn55" wo="0.01" />
+      <nuclide name="Cr52" wo="0.002092475" />
+      <nuclide name="C0" wo="0.0025" />
+      <nuclide name="Cu63" wo="0.0013696" />
+    </material>
+    <material id="6" name="Lower radial reflector">
+      <density units="g/cm3" value="4.32" />
+      <nuclide name="H1" wo="0.0095661" />
+      <nuclide name="O16" wo="0.0759107" />
+      <nuclide name="B10" wo="3.08409e-05" />
+      <nuclide name="B11" wo="0.000140499" />
+      <nuclide name="Fe54" wo="0.035620772088" />
+      <nuclide name="Fe56" wo="0.579805982228" />
+      <nuclide name="Fe57" wo="0.01362750048" />
+      <nuclide name="Fe58" wo="0.001848545204" />
+      <nuclide name="Ni58" wo="0.055298376566" />
+      <nuclide name="Mn55" wo="0.018287" />
+      <nuclide name="Cr52" wo="0.145407678031" />
+      <sab name="c_H_in_H2O" />
+    </material>
+    <material id="7" name="Upper radial reflector / Top plate region">
+      <density units="g/cm3" value="4.28" />
+      <nuclide name="H1" wo="0.0086117" />
+      <nuclide name="O16" wo="0.0683369" />
+      <nuclide name="B10" wo="2.77638e-05" />
+      <nuclide name="B11" wo="0.000126481" />
+      <nuclide name="Fe54" wo="0.035953677186" />
+      <nuclide name="Fe56" wo="0.585224740891" />
+      <nuclide name="Fe57" wo="0.01375486056" />
+      <nuclide name="Fe58" wo="0.001865821363" />
+      <nuclide name="Ni58" wo="0.055815129186" />
+      <nuclide name="Mn55" wo="0.0184579" />
+      <nuclide name="Cr52" wo="0.146766614995" />
+      <sab name="c_H_in_H2O" />
+    </material>
+    <material id="8" name="Bottom plate region">
+      <density units="g/cm3" value="7.184" />
+      <nuclide name="H1" wo="0.0011505" />
+      <nuclide name="O16" wo="0.0091296" />
+      <nuclide name="B10" wo="3.70915e-06" />
+      <nuclide name="B11" wo="1.68974e-05" />
+      <nuclide name="Fe54" wo="0.03855611055" />
+      <nuclide name="Fe56" wo="0.627585036425" />
+      <nuclide name="Fe57" wo="0.014750478" />
+      <nuclide name="Fe58" wo="0.002000875025" />
+      <nuclide name="Ni58" wo="0.059855207342" />
+      <nuclide name="Mn55" wo="0.019794" />
+      <nuclide name="Cr52" wo="0.157390026871" />
+      <sab name="c_H_in_H2O" />
+    </material>
+    <material id="9" name="Bottom nozzle region">
+      <density units="g/cm3" value="2.53" />
+      <nuclide name="H1" wo="0.0245014" />
+      <nuclide name="O16" wo="0.1944274" />
+      <nuclide name="B10" wo="7.89917e-05" />
+      <nuclide name="B11" wo="0.000359854" />
+      <nuclide name="Fe54" wo="0.030411411144" />
+      <nuclide name="Fe56" wo="0.495012237964" />
+      <nuclide name="Fe57" wo="0.01163454624" />
+      <nuclide name="Fe58" wo="0.001578204652" />
+      <nuclide name="Ni58" wo="0.047211231662" />
+      <nuclide name="Mn55" wo="0.0156126" />
+      <nuclide name="Cr52" wo="0.124142524198" />
+      <sab name="c_H_in_H2O" />
+    </material>
+    <material id="10" name="Top nozzle region">
+      <density units="g/cm3" value="1.746" />
+      <nuclide name="H1" wo="0.035887" />
+      <nuclide name="O16" wo="0.2847761" />
+      <nuclide name="B10" wo="0.000115699" />
+      <nuclide name="B11" wo="0.000527075" />
+      <nuclide name="Fe54" wo="0.02644016154" />
+      <nuclide name="Fe56" wo="0.43037146399" />
+      <nuclide name="Fe57" wo="0.0101152584" />
+      <nuclide name="Fe58" wo="0.00137211607" />
+      <nuclide name="Ni58" wo="0.04104621835" />
+      <nuclide name="Mn55" wo="0.0135739" />
+      <nuclide name="Cr52" wo="0.107931450781" />
+      <sab name="c_H_in_H2O" />
+    </material>
+    <material id="11" name="Top of fuel assemblies">
+      <density units="g/cm3" value="3.044" />
+      <nuclide name="H1" wo="0.0162913" />
+      <nuclide name="O16" wo="0.1292776" />
+      <nuclide name="B10" wo="5.25228e-05" />
+      <nuclide name="B11" wo="0.000239272" />
+      <nuclide name="Zr90" wo="0.43313403903" />
+      <nuclide name="Zr91" wo="0.09549277374" />
+      <nuclide name="Zr92" wo="0.14759527104" />
+      <nuclide name="Zr94" wo="0.15280552077" />
+      <nuclide name="Zr96" wo="0.02511169542" />
+      <sab name="c_H_in_H2O" />
+    </material>
+    <material id="12" name="Bottom of fuel assemblies">
+      <density units="g/cm3" value="1.762" />
+      <nuclide name="H1" wo="0.0292856" />
+      <nuclide name="O16" wo="0.2323919" />
+      <nuclide name="B10" wo="9.44159e-05" />
+      <nuclide name="B11" wo="0.00043012" />
+      <nuclide name="Zr90" wo="0.3741373658" />
+      <nuclide name="Zr91" wo="0.0824858164" />
+      <nuclide name="Zr92" wo="0.1274914944" />
+      <nuclide name="Zr94" wo="0.1319920622" />
+      <nuclide name="Zr96" wo="0.0216912612" />
+      <sab name="c_H_in_H2O" />
+    </material>
+  </materials>
+  <geometry>
+    <cell fill="200" id="1" region="-6 34 -35" universe="0" />
+    <cell fill="201" id="2" region="-6 35 -36" universe="0" />
+    <cell id="3" material="8" region="-7 31 -32" universe="0" />
+    <cell id="4" material="9" region="-5 32 -33" universe="0" />
+    <cell id="5" material="12" region="-5 33 -34" universe="0" />
+    <cell id="6" material="11" region="-5 36 -37" universe="0" />
+    <cell id="7" material="10" region="-5 37 -38" universe="0" />
+    <cell id="8" material="7" region="-7 38 -39" universe="0" />
+    <cell id="9" material="9" region="6 -7 32 -38" universe="0" />
+    <cell id="10" material="5" region="7 -8 31 -39" universe="0" />
+    <cell id="11" material="6" region="5 -6 32 -34" universe="0" />
+    <cell id="12" material="7" region="5 -6 36 -38" universe="0" />
+    <cell id="21" material="1" region="-1" universe="1" />
+    <cell id="22" material="2" region="1 -2" universe="1" />
+    <cell id="23" material="3" region="2" universe="1" />
+    <cell id="24" material="3" region="-3" universe="2" />
+    <cell id="25" material="2" region="3 -4" universe="2" />
+    <cell id="26" material="3" region="4" universe="2" />
+    <cell id="27" material="1" region="-1" universe="3" />
+    <cell id="28" material="2" region="1 -2" universe="3" />
+    <cell id="29" material="4" region="2" universe="3" />
+    <cell id="30" material="4" region="-3" universe="4" />
+    <cell id="31" material="2" region="3 -4" universe="4" />
+    <cell id="32" material="4" region="4" universe="4" />
+    <cell id="50" material="3" region="34 -35" universe="5" />
+    <cell fill="100" id="60" region="34 -35" universe="6" />
+    <cell id="70" material="4" region="35 -36" universe="7" />
+    <cell fill="101" id="80" region="35 -36" universe="8" />
+    <lattice id="100" name="Fuel assembly (lower half)">
+      <pitch>1.26 1.26</pitch>
+      <dimension>17 17</dimension>
+      <lower_left>-10.71 -10.71</lower_left>
+      <universes>
 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 
 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 
 1 1 1 1 1 2 1 1 2 1 1 2 1 1 1 1 1 
@@ -50,12 +199,12 @@
 1 1 1 1 1 2 1 1 2 1 1 2 1 1 1 1 1 
 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 
 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 </universes>
-  </lattice>
-  <lattice id="101" name="Fuel assembly (upper half)">
-    <pitch>1.26 1.26</pitch>
-    <dimension>17 17</dimension>
-    <lower_left>-10.71 -10.71</lower_left>
-    <universes>
+    </lattice>
+    <lattice id="101" name="Fuel assembly (upper half)">
+      <pitch>1.26 1.26</pitch>
+      <dimension>17 17</dimension>
+      <lower_left>-10.71 -10.71</lower_left>
+      <universes>
 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
 3 3 3 3 3 4 3 3 4 3 3 4 3 3 3 3 3 
@@ -73,12 +222,12 @@
 3 3 3 3 3 4 3 3 4 3 3 4 3 3 3 3 3 
 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 </universes>
-  </lattice>
-  <lattice id="200" name="Core lattice (lower half)">
-    <pitch>21.42 21.42</pitch>
-    <dimension>21 21</dimension>
-    <lower_left>-224.91 -224.91</lower_left>
-    <universes>
+    </lattice>
+    <lattice id="200" name="Core lattice (lower half)">
+      <pitch>21.42 21.42</pitch>
+      <dimension>21 21</dimension>
+      <lower_left>-224.91 -224.91</lower_left>
+      <universes>
 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 
 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 
 5 5 5 5 5 5 5 6 6 6 6 6 6 6 5 5 5 5 5 5 5 
@@ -100,12 +249,12 @@
 5 5 5 5 5 5 5 6 6 6 6 6 6 6 5 5 5 5 5 5 5 
 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 
 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 </universes>
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-  <lattice id="201" name="Core lattice (lower half)">
-    <pitch>21.42 21.42</pitch>
-    <dimension>21 21</dimension>
-    <lower_left>-224.91 -224.91</lower_left>
-    <universes>
+    </lattice>
+    <lattice id="201" name="Core lattice (lower half)">
+      <pitch>21.42 21.42</pitch>
+      <dimension>21 21</dimension>
+      <lower_left>-224.91 -224.91</lower_left>
+      <universes>
 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 
 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 
 7 7 7 7 7 7 7 8 8 8 8 8 8 8 7 7 7 7 7 7 7 
@@ -127,378 +276,228 @@
 7 7 7 7 7 7 7 8 8 8 8 8 8 8 7 7 7 7 7 7 7 
 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 
 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 </universes>
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-  <surface coeffs="0.0 0.0 0.475" id="2" type="z-cylinder" />
-  <surface coeffs="0.0 0.0 0.56" id="3" type="z-cylinder" />
-  <surface coeffs="0.0 0.0 0.62" id="4" type="z-cylinder" />
-  <surface coeffs="0.0 0.0 187.6" id="5" type="z-cylinder" />
-  <surface coeffs="0.0 0.0 209.0" id="6" type="z-cylinder" />
-  <surface coeffs="0.0 0.0 229.0" id="7" type="z-cylinder" />
-  <surface boundary="vacuum" coeffs="0.0 0.0 249.0" id="8" type="z-cylinder" />
-  <surface boundary="vacuum" coeffs="-229.0" id="31" type="z-plane" />
-  <surface coeffs="-199.0" id="32" type="z-plane" />
-  <surface coeffs="-193.0" id="33" type="z-plane" />
-  <surface coeffs="-183.0" id="34" type="z-plane" />
-  <surface coeffs="0.0" id="35" type="z-plane" />
-  <surface coeffs="183.0" id="36" type="z-plane" />
-  <surface coeffs="203.0" id="37" type="z-plane" />
-  <surface coeffs="215.0" id="38" type="z-plane" />
-  <surface boundary="vacuum" coeffs="223.0" id="39" type="z-plane" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-  <material depletable="true" id="1" name="UOX fuel">
-    <density units="g/cm3" value="10.062" />
-    <nuclide ao="4.9476e-06" name="U234" />
-    <nuclide ao="0.00048218" name="U235" />
-    <nuclide ao="0.021504" name="U238" />
-    <nuclide ao="1.0801e-08" name="Xe135" />
-    <nuclide ao="0.045737" name="O16" />
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-    <nuclide ao="0.1122" name="Zr91" />
-    <nuclide ao="0.1715" name="Zr92" />
-    <nuclide ao="0.1738" name="Zr94" />
-    <nuclide ao="0.028" name="Zr96" />
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-  <material id="3" name="Cold borated water">
-    <density units="atom/b-cm" value="0.07416" />
-    <nuclide ao="2.0" name="H1" />
-    <nuclide ao="1.0" name="O16" />
-    <nuclide ao="0.000649" name="B10" />
-    <nuclide ao="0.002689" name="B11" />
-    <sab name="c_H_in_H2O" />
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-    <nuclide ao="1.0" name="O16" />
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-    <nuclide ao="0.002689" name="B11" />
-    <sab name="c_H_in_H2O" />
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-    <nuclide name="C0" wo="0.0025" />
-    <nuclide name="Cu63" wo="0.0013696" />
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-    <sab name="c_H_in_H2O" />
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-  <tally id="24">
-    <filters>13</filters>
-    <scores>absorption delayed-nu-fission events fission inverse-velocity kappa-fission (n,2n) (n,n1) (n,gamma) nu-fission scatter elastic total prompt-nu-fission fission-q-prompt fission-q-recoverable decay-rate</scores>
-    <estimator>collision</estimator>
-  </tally>
-  <tally id="25">
-    <filters>13</filters>
-    <nuclides>U235 O16 total</nuclides>
-    <scores>absorption delayed-nu-fission events fission inverse-velocity kappa-fission (n,2n) (n,n1) (n,gamma) nu-fission scatter elastic total prompt-nu-fission fission-q-prompt fission-q-recoverable decay-rate</scores>
-    <estimator>collision</estimator>
-  </tally>
-  <tally id="26">
-    <filters>14</filters>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="27">
-    <filters>14</filters>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="28">
-    <filters>14</filters>
-    <scores>flux</scores>
-    <estimator>collision</estimator>
-  </tally>
-  <tally id="29">
-    <scores>H1-production H2-production H3-production He3-production He4-production heating damage-energy</scores>
-  </tally>
-</tallies>
+    </lattice>
+    <surface coeffs="0.0 0.0 0.41" id="1" type="z-cylinder" />
+    <surface coeffs="0.0 0.0 0.475" id="2" type="z-cylinder" />
+    <surface coeffs="0.0 0.0 0.56" id="3" type="z-cylinder" />
+    <surface coeffs="0.0 0.0 0.62" id="4" type="z-cylinder" />
+    <surface coeffs="0.0 0.0 187.6" id="5" type="z-cylinder" />
+    <surface coeffs="0.0 0.0 209.0" id="6" type="z-cylinder" />
+    <surface coeffs="0.0 0.0 229.0" id="7" type="z-cylinder" />
+    <surface boundary="vacuum" coeffs="0.0 0.0 249.0" id="8" type="z-cylinder" />
+    <surface boundary="vacuum" coeffs="-229.0" id="31" type="z-plane" />
+    <surface coeffs="-199.0" id="32" type="z-plane" />
+    <surface coeffs="-193.0" id="33" type="z-plane" />
+    <surface coeffs="-183.0" id="34" type="z-plane" />
+    <surface coeffs="0.0" id="35" type="z-plane" />
+    <surface coeffs="183.0" id="36" type="z-plane" />
+    <surface coeffs="203.0" id="37" type="z-plane" />
+    <surface coeffs="215.0" id="38" type="z-plane" />
+    <surface boundary="vacuum" coeffs="223.0" id="39" type="z-plane" />
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>400</particles>
+    <batches>5</batches>
+    <inactive>0</inactive>
+    <source strength="1.0">
+      <space type="box">
+        <parameters>-160 -160 -183 160 160 183</parameters>
+      </space>
+    </source>
+  </settings>
+  <tallies>
+    <mesh id="1">
+      <dimension>2 2</dimension>
+      <lower_left>-182.07 -182.07</lower_left>
+      <upper_right>182.07 182.07</upper_right>
+    </mesh>
+    <filter id="1" type="azimuthal">
+      <bins>-3.14159 -1.885 -0.6283 0.6283 1.885 3.14159</bins>
+    </filter>
+    <filter id="2" type="mesh">
+      <bins>1</bins>
+    </filter>
+    <filter id="3" type="cellborn">
+      <bins>10 21 22 23</bins>
+    </filter>
+    <filter id="4" type="delayedgroup">
+      <bins>1 2 3 4 5 6</bins>
+    </filter>
+    <filter id="5" type="energy">
+      <bins>0.0 0.253 1000.0 1000000.0 20000000.0</bins>
+    </filter>
+    <filter id="6" type="energyout">
+      <bins>0.0 0.253 1000.0 1000000.0 20000000.0</bins>
+    </filter>
+    <filter id="7" type="material">
+      <bins>1 2 3 4</bins>
+    </filter>
+    <filter id="8" type="mu">
+      <bins>-1.0 -0.5 0.0 0.5 1.0</bins>
+    </filter>
+    <filter id="9" type="polar">
+      <bins>0.0 0.6283 1.2566 1.885 2.5132 3.14159</bins>
+    </filter>
+    <filter id="10" type="legendre">
+      <order>4</order>
+    </filter>
+    <filter cosine="particle" id="11" type="sphericalharmonics">
+      <order>4</order>
+    </filter>
+    <filter id="12" type="universe">
+      <bins>1 2 3 4 6 8</bins>
+    </filter>
+    <filter id="15" type="collision">
+      <bins>1 2 5 3 6</bins>
+    </filter>
+    <filter id="13" type="cell">
+      <bins>10 21 22 23 60</bins>
+    </filter>
+    <filter id="14" type="cell">
+      <bins>21 22 23 27 28 29 60</bins>
+    </filter>
+    <tally id="1">
+      <filters>1</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="2">
+      <filters>1</filters>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="3">
+      <filters>1 2</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="4">
+      <filters>3</filters>
+      <scores>total</scores>
+    </tally>
+    <tally id="5">
+      <filters>4</filters>
+      <nuclides>U235 O16 total</nuclides>
+      <scores>delayed-nu-fission decay-rate</scores>
+    </tally>
+    <tally id="6">
+      <filters>5</filters>
+      <scores>total</scores>
+    </tally>
+    <tally id="7">
+      <filters>6</filters>
+      <scores>scatter</scores>
+    </tally>
+    <tally id="8">
+      <filters>5 6</filters>
+      <scores>scatter nu-fission</scores>
+    </tally>
+    <tally id="9">
+      <filters>7</filters>
+      <scores>total</scores>
+    </tally>
+    <tally id="10">
+      <filters>8</filters>
+      <scores>scatter nu-scatter</scores>
+    </tally>
+    <tally id="11">
+      <filters>8 2</filters>
+      <scores>scatter nu-scatter</scores>
+    </tally>
+    <tally id="12">
+      <filters>9</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="13">
+      <filters>9</filters>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="14">
+      <filters>9 2</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="15">
+      <filters>10</filters>
+      <scores>scatter nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="16">
+      <filters>11</filters>
+      <scores>scatter nu-scatter flux total</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="17">
+      <filters>11</filters>
+      <scores>flux total</scores>
+      <estimator>collision</estimator>
+    </tally>
+    <tally id="18">
+      <filters>11</filters>
+      <scores>flux total</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="19">
+      <filters>12</filters>
+      <scores>total</scores>
+    </tally>
+    <tally id="30">
+      <filters>15</filters>
+      <scores>scatter</scores>
+    </tally>
+    <tally id="20">
+      <filters>13</filters>
+      <scores>absorption delayed-nu-fission events fission inverse-velocity kappa-fission (n,2n) (n,n1) (n,gamma) nu-fission scatter elastic total prompt-nu-fission fission-q-prompt fission-q-recoverable decay-rate</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="21">
+      <filters>13</filters>
+      <nuclides>U235 O16 total</nuclides>
+      <scores>absorption delayed-nu-fission events fission inverse-velocity kappa-fission (n,2n) (n,n1) (n,gamma) nu-fission scatter elastic total prompt-nu-fission fission-q-prompt fission-q-recoverable decay-rate</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="22">
+      <filters>13</filters>
+      <scores>absorption delayed-nu-fission events fission inverse-velocity kappa-fission (n,2n) (n,n1) (n,gamma) nu-fission scatter elastic total prompt-nu-fission fission-q-prompt fission-q-recoverable decay-rate</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="23">
+      <filters>13</filters>
+      <nuclides>U235 O16 total</nuclides>
+      <scores>absorption delayed-nu-fission events fission inverse-velocity kappa-fission (n,2n) (n,n1) (n,gamma) nu-fission scatter elastic total prompt-nu-fission fission-q-prompt fission-q-recoverable decay-rate</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="24">
+      <filters>13</filters>
+      <scores>absorption delayed-nu-fission events fission inverse-velocity kappa-fission (n,2n) (n,n1) (n,gamma) nu-fission scatter elastic total prompt-nu-fission fission-q-prompt fission-q-recoverable decay-rate</scores>
+      <estimator>collision</estimator>
+    </tally>
+    <tally id="25">
+      <filters>13</filters>
+      <nuclides>U235 O16 total</nuclides>
+      <scores>absorption delayed-nu-fission events fission inverse-velocity kappa-fission (n,2n) (n,n1) (n,gamma) nu-fission scatter elastic total prompt-nu-fission fission-q-prompt fission-q-recoverable decay-rate</scores>
+      <estimator>collision</estimator>
+    </tally>
+    <tally id="26">
+      <filters>14</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="27">
+      <filters>14</filters>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="28">
+      <filters>14</filters>
+      <scores>flux</scores>
+      <estimator>collision</estimator>
+    </tally>
+    <tally id="29">
+      <scores>H1-production H2-production H3-production He3-production He4-production heating damage-energy</scores>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/tally_aggregation/inputs_true.dat b/tests/regression_tests/tally_aggregation/inputs_true.dat
index 80356f711..bb2dcddc5 100644
--- a/tests/regression_tests/tally_aggregation/inputs_true.dat
+++ b/tests/regression_tests/tally_aggregation/inputs_true.dat
@@ -1,57 +1,56 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell id="1" material="1" region="-1" universe="1" />
-  <cell id="2" material="2" region="1" universe="1" />
-  <cell fill="2" id="3" region="2 -3 4 -5" universe="3" />
-  <lattice id="2">
-    <pitch>1.2 1.2</pitch>
-    <outer>1</outer>
-    <dimension>2 2</dimension>
-    <lower_left>-1.2 -1.2</lower_left>
-    <universes>
+<model>
+  <materials>
+    <material depletable="true" id="1" name="UO2">
+      <density units="g/cm3" value="10.29769" />
+      <nuclide ao="4.4843e-06" name="U234" />
+      <nuclide ao="0.00055815" name="U235" />
+      <nuclide ao="0.022408" name="U238" />
+      <nuclide ao="0.045829" name="O16" />
+    </material>
+    <material id="2" name="light water">
+      <density units="g/cm3" value="1.0" />
+      <nuclide ao="2.0" name="H1" />
+      <nuclide ao="1.0" name="O16" />
+      <sab name="c_H_in_H2O" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="-1" universe="1" />
+    <cell id="2" material="2" region="1" universe="1" />
+    <cell fill="2" id="3" region="2 -3 4 -5" universe="3" />
+    <lattice id="2">
+      <pitch>1.2 1.2</pitch>
+      <outer>1</outer>
+      <dimension>2 2</dimension>
+      <lower_left>-1.2 -1.2</lower_left>
+      <universes>
 1 1 
 1 1 </universes>
-  </lattice>
-  <surface coeffs="0.0 0.0 0.4" id="1" type="z-cylinder" />
-  <surface boundary="reflective" coeffs="-1.2" id="2" name="minimum x" type="x-plane" />
-  <surface boundary="reflective" coeffs="1.2" id="3" name="maximum x" type="x-plane" />
-  <surface boundary="reflective" coeffs="-1.2" id="4" name="minimum y" type="y-plane" />
-  <surface boundary="reflective" coeffs="1.2" id="5" name="maximum y" type="y-plane" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-  <material depletable="true" id="1" name="UO2">
-    <density units="g/cm3" value="10.29769" />
-    <nuclide ao="4.4843e-06" name="U234" />
-    <nuclide ao="0.00055815" name="U235" />
-    <nuclide ao="0.022408" name="U238" />
-    <nuclide ao="0.045829" name="O16" />
-  </material>
-  <material id="2" name="light water">
-    <density units="g/cm3" value="1.0" />
-    <nuclide ao="2.0" name="H1" />
-    <nuclide ao="1.0" name="O16" />
-    <sab name="c_H_in_H2O" />
-  </material>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>eigenvalue</run_mode>
-  <particles>1000</particles>
-  <batches>10</batches>
-  <inactive>5</inactive>
-</settings>
-<?xml version='1.0' encoding='utf-8'?>
-<tallies>
-  <filter id="1" type="energy">
-    <bins>0.0 0.253 1000.0 1000000.0 20000000.0</bins>
-  </filter>
-  <filter id="2" type="distribcell">
-    <bins>1</bins>
-  </filter>
-  <tally id="1" name="distribcell tally">
-    <filters>1 2</filters>
-    <nuclides>U234 U235 U238</nuclides>
-    <scores>nu-fission total</scores>
-  </tally>
-</tallies>
+    </lattice>
+    <surface coeffs="0.0 0.0 0.4" id="1" type="z-cylinder" />
+    <surface boundary="reflective" coeffs="-1.2" id="2" name="minimum x" type="x-plane" />
+    <surface boundary="reflective" coeffs="1.2" id="3" name="maximum x" type="x-plane" />
+    <surface boundary="reflective" coeffs="-1.2" id="4" name="minimum y" type="y-plane" />
+    <surface boundary="reflective" coeffs="1.2" id="5" name="maximum y" type="y-plane" />
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>1000</particles>
+    <batches>10</batches>
+    <inactive>5</inactive>
+  </settings>
+  <tallies>
+    <filter id="1" type="energy">
+      <bins>0.0 0.253 1000.0 1000000.0 20000000.0</bins>
+    </filter>
+    <filter id="2" type="distribcell">
+      <bins>1</bins>
+    </filter>
+    <tally id="1" name="distribcell tally">
+      <filters>1 2</filters>
+      <nuclides>U234 U235 U238</nuclides>
+      <scores>nu-fission total</scores>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/tally_arithmetic/inputs_true.dat b/tests/regression_tests/tally_arithmetic/inputs_true.dat
index fbbf94fa9..41760f3cf 100644
--- a/tests/regression_tests/tally_arithmetic/inputs_true.dat
+++ b/tests/regression_tests/tally_arithmetic/inputs_true.dat
@@ -1,56 +1,55 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell id="1" material="1" region="-1" universe="1" />
-  <cell id="2" material="2" region="1 -2" universe="1" />
-  <surface coeffs="0.0 0.0 5.0" id="1" type="z-cylinder" />
-  <surface boundary="vacuum" coeffs="0.0 0.0 10.0" id="2" type="z-cylinder" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-  <material depletable="true" id="1">
-    <density units="g/cm3" value="10.0" />
-    <nuclide ao="1.0" name="U234" />
-    <nuclide ao="4.0" name="U235" />
-    <nuclide ao="95.0" name="U238" />
-  </material>
-  <material id="2" name="light water">
-    <density units="g/cm3" value="1.0" />
-    <nuclide ao="2.0" name="H1" />
-    <nuclide ao="1.0" name="O16" />
-    <sab name="c_H_in_H2O" />
-  </material>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>eigenvalue</run_mode>
-  <particles>1000</particles>
-  <batches>5</batches>
-  <inactive>0</inactive>
-</settings>
-<?xml version='1.0' encoding='utf-8'?>
-<tallies>
-  <mesh id="1">
-    <dimension>2 2</dimension>
-    <lower_left>-10.0 -10.0</lower_left>
-    <upper_right>10.0 10.0</upper_right>
-  </mesh>
-  <filter id="2" type="material">
-    <bins>1 2</bins>
-  </filter>
-  <filter id="1" type="energy">
-    <bins>0.0 10.0 20000000.0</bins>
-  </filter>
-  <filter id="3" type="mesh">
-    <bins>1</bins>
-  </filter>
-  <tally id="1" name="tally 1">
-    <filters>2 1</filters>
-    <nuclides>U234 U235</nuclides>
-    <scores>nu-fission total</scores>
-  </tally>
-  <tally id="2" name="tally 2">
-    <filters>1 3</filters>
-    <nuclides>U238 U235</nuclides>
-    <scores>total fission</scores>
-  </tally>
-</tallies>
+<model>
+  <materials>
+    <material depletable="true" id="1">
+      <density units="g/cm3" value="10.0" />
+      <nuclide ao="1.0" name="U234" />
+      <nuclide ao="4.0" name="U235" />
+      <nuclide ao="95.0" name="U238" />
+    </material>
+    <material id="2" name="light water">
+      <density units="g/cm3" value="1.0" />
+      <nuclide ao="2.0" name="H1" />
+      <nuclide ao="1.0" name="O16" />
+      <sab name="c_H_in_H2O" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="-1" universe="1" />
+    <cell id="2" material="2" region="1 -2" universe="1" />
+    <surface coeffs="0.0 0.0 5.0" id="1" type="z-cylinder" />
+    <surface boundary="vacuum" coeffs="0.0 0.0 10.0" id="2" type="z-cylinder" />
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>1000</particles>
+    <batches>5</batches>
+    <inactive>0</inactive>
+  </settings>
+  <tallies>
+    <mesh id="1">
+      <dimension>2 2</dimension>
+      <lower_left>-10.0 -10.0</lower_left>
+      <upper_right>10.0 10.0</upper_right>
+    </mesh>
+    <filter id="2" type="material">
+      <bins>1 2</bins>
+    </filter>
+    <filter id="1" type="energy">
+      <bins>0.0 10.0 20000000.0</bins>
+    </filter>
+    <filter id="3" type="mesh">
+      <bins>1</bins>
+    </filter>
+    <tally id="1" name="tally 1">
+      <filters>2 1</filters>
+      <nuclides>U234 U235</nuclides>
+      <scores>nu-fission total</scores>
+    </tally>
+    <tally id="2" name="tally 2">
+      <filters>1 3</filters>
+      <nuclides>U238 U235</nuclides>
+      <scores>total fission</scores>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/tally_slice_merge/inputs_true.dat b/tests/regression_tests/tally_slice_merge/inputs_true.dat
index 6f421b1d9..5b5731efb 100644
--- a/tests/regression_tests/tally_slice_merge/inputs_true.dat
+++ b/tests/regression_tests/tally_slice_merge/inputs_true.dat
@@ -1,38 +1,187 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell fill="200" id="1" region="-6 34 -35" universe="0" />
-  <cell fill="201" id="2" region="-6 35 -36" universe="0" />
-  <cell id="3" material="8" region="-7 31 -32" universe="0" />
-  <cell id="4" material="9" region="-5 32 -33" universe="0" />
-  <cell id="5" material="12" region="-5 33 -34" universe="0" />
-  <cell id="6" material="11" region="-5 36 -37" universe="0" />
-  <cell id="7" material="10" region="-5 37 -38" universe="0" />
-  <cell id="8" material="7" region="-7 38 -39" universe="0" />
-  <cell id="9" material="9" region="6 -7 32 -38" universe="0" />
-  <cell id="10" material="5" region="7 -8 31 -39" universe="0" />
-  <cell id="11" material="6" region="5 -6 32 -34" universe="0" />
-  <cell id="12" material="7" region="5 -6 36 -38" universe="0" />
-  <cell id="21" material="1" region="-1" universe="1" />
-  <cell id="22" material="2" region="1 -2" universe="1" />
-  <cell id="23" material="3" region="2" universe="1" />
-  <cell id="24" material="3" region="-3" universe="2" />
-  <cell id="25" material="2" region="3 -4" universe="2" />
-  <cell id="26" material="3" region="4" universe="2" />
-  <cell id="27" material="1" region="-1" universe="3" />
-  <cell id="28" material="2" region="1 -2" universe="3" />
-  <cell id="29" material="4" region="2" universe="3" />
-  <cell id="30" material="4" region="-3" universe="4" />
-  <cell id="31" material="2" region="3 -4" universe="4" />
-  <cell id="32" material="4" region="4" universe="4" />
-  <cell id="50" material="3" region="34 -35" universe="5" />
-  <cell fill="100" id="60" region="34 -35" universe="6" />
-  <cell id="70" material="4" region="35 -36" universe="7" />
-  <cell fill="101" id="80" region="35 -36" universe="8" />
-  <lattice id="100" name="Fuel assembly (lower half)">
-    <pitch>1.26 1.26</pitch>
-    <dimension>17 17</dimension>
-    <lower_left>-10.71 -10.71</lower_left>
-    <universes>
+<model>
+  <materials>
+    <material depletable="true" id="1" name="UOX fuel">
+      <density units="g/cm3" value="10.062" />
+      <nuclide ao="4.9476e-06" name="U234" />
+      <nuclide ao="0.00048218" name="U235" />
+      <nuclide ao="0.021504" name="U238" />
+      <nuclide ao="1.0801e-08" name="Xe135" />
+      <nuclide ao="0.045737" name="O16" />
+    </material>
+    <material id="2" name="Zircaloy">
+      <density units="g/cm3" value="5.77" />
+      <nuclide ao="0.5145" name="Zr90" />
+      <nuclide ao="0.1122" name="Zr91" />
+      <nuclide ao="0.1715" name="Zr92" />
+      <nuclide ao="0.1738" name="Zr94" />
+      <nuclide ao="0.028" name="Zr96" />
+    </material>
+    <material id="3" name="Cold borated water">
+      <density units="atom/b-cm" value="0.07416" />
+      <nuclide ao="2.0" name="H1" />
+      <nuclide ao="1.0" name="O16" />
+      <nuclide ao="0.000649" name="B10" />
+      <nuclide ao="0.002689" name="B11" />
+      <sab name="c_H_in_H2O" />
+    </material>
+    <material id="4" name="Hot borated water">
+      <density units="atom/b-cm" value="0.06614" />
+      <nuclide ao="2.0" name="H1" />
+      <nuclide ao="1.0" name="O16" />
+      <nuclide ao="0.000649" name="B10" />
+      <nuclide ao="0.002689" name="B11" />
+      <sab name="c_H_in_H2O" />
+    </material>
+    <material id="5" name="Reactor pressure vessel steel">
+      <density units="g/cm3" value="7.9" />
+      <nuclide name="Fe54" wo="0.05437098" />
+      <nuclide name="Fe56" wo="0.88500663" />
+      <nuclide name="Fe57" wo="0.0208008" />
+      <nuclide name="Fe58" wo="0.00282159" />
+      <nuclide name="Ni58" wo="0.0067198" />
+      <nuclide name="Ni60" wo="0.0026776" />
+      <nuclide name="Mn55" wo="0.01" />
+      <nuclide name="Cr52" wo="0.002092475" />
+      <nuclide name="C0" wo="0.0025" />
+      <nuclide name="Cu63" wo="0.0013696" />
+    </material>
+    <material id="6" name="Lower radial reflector">
+      <density units="g/cm3" value="4.32" />
+      <nuclide name="H1" wo="0.0095661" />
+      <nuclide name="O16" wo="0.0759107" />
+      <nuclide name="B10" wo="3.08409e-05" />
+      <nuclide name="B11" wo="0.000140499" />
+      <nuclide name="Fe54" wo="0.035620772088" />
+      <nuclide name="Fe56" wo="0.579805982228" />
+      <nuclide name="Fe57" wo="0.01362750048" />
+      <nuclide name="Fe58" wo="0.001848545204" />
+      <nuclide name="Ni58" wo="0.055298376566" />
+      <nuclide name="Mn55" wo="0.018287" />
+      <nuclide name="Cr52" wo="0.145407678031" />
+      <sab name="c_H_in_H2O" />
+    </material>
+    <material id="7" name="Upper radial reflector / Top plate region">
+      <density units="g/cm3" value="4.28" />
+      <nuclide name="H1" wo="0.0086117" />
+      <nuclide name="O16" wo="0.0683369" />
+      <nuclide name="B10" wo="2.77638e-05" />
+      <nuclide name="B11" wo="0.000126481" />
+      <nuclide name="Fe54" wo="0.035953677186" />
+      <nuclide name="Fe56" wo="0.585224740891" />
+      <nuclide name="Fe57" wo="0.01375486056" />
+      <nuclide name="Fe58" wo="0.001865821363" />
+      <nuclide name="Ni58" wo="0.055815129186" />
+      <nuclide name="Mn55" wo="0.0184579" />
+      <nuclide name="Cr52" wo="0.146766614995" />
+      <sab name="c_H_in_H2O" />
+    </material>
+    <material id="8" name="Bottom plate region">
+      <density units="g/cm3" value="7.184" />
+      <nuclide name="H1" wo="0.0011505" />
+      <nuclide name="O16" wo="0.0091296" />
+      <nuclide name="B10" wo="3.70915e-06" />
+      <nuclide name="B11" wo="1.68974e-05" />
+      <nuclide name="Fe54" wo="0.03855611055" />
+      <nuclide name="Fe56" wo="0.627585036425" />
+      <nuclide name="Fe57" wo="0.014750478" />
+      <nuclide name="Fe58" wo="0.002000875025" />
+      <nuclide name="Ni58" wo="0.059855207342" />
+      <nuclide name="Mn55" wo="0.019794" />
+      <nuclide name="Cr52" wo="0.157390026871" />
+      <sab name="c_H_in_H2O" />
+    </material>
+    <material id="9" name="Bottom nozzle region">
+      <density units="g/cm3" value="2.53" />
+      <nuclide name="H1" wo="0.0245014" />
+      <nuclide name="O16" wo="0.1944274" />
+      <nuclide name="B10" wo="7.89917e-05" />
+      <nuclide name="B11" wo="0.000359854" />
+      <nuclide name="Fe54" wo="0.030411411144" />
+      <nuclide name="Fe56" wo="0.495012237964" />
+      <nuclide name="Fe57" wo="0.01163454624" />
+      <nuclide name="Fe58" wo="0.001578204652" />
+      <nuclide name="Ni58" wo="0.047211231662" />
+      <nuclide name="Mn55" wo="0.0156126" />
+      <nuclide name="Cr52" wo="0.124142524198" />
+      <sab name="c_H_in_H2O" />
+    </material>
+    <material id="10" name="Top nozzle region">
+      <density units="g/cm3" value="1.746" />
+      <nuclide name="H1" wo="0.035887" />
+      <nuclide name="O16" wo="0.2847761" />
+      <nuclide name="B10" wo="0.000115699" />
+      <nuclide name="B11" wo="0.000527075" />
+      <nuclide name="Fe54" wo="0.02644016154" />
+      <nuclide name="Fe56" wo="0.43037146399" />
+      <nuclide name="Fe57" wo="0.0101152584" />
+      <nuclide name="Fe58" wo="0.00137211607" />
+      <nuclide name="Ni58" wo="0.04104621835" />
+      <nuclide name="Mn55" wo="0.0135739" />
+      <nuclide name="Cr52" wo="0.107931450781" />
+      <sab name="c_H_in_H2O" />
+    </material>
+    <material id="11" name="Top of fuel assemblies">
+      <density units="g/cm3" value="3.044" />
+      <nuclide name="H1" wo="0.0162913" />
+      <nuclide name="O16" wo="0.1292776" />
+      <nuclide name="B10" wo="5.25228e-05" />
+      <nuclide name="B11" wo="0.000239272" />
+      <nuclide name="Zr90" wo="0.43313403903" />
+      <nuclide name="Zr91" wo="0.09549277374" />
+      <nuclide name="Zr92" wo="0.14759527104" />
+      <nuclide name="Zr94" wo="0.15280552077" />
+      <nuclide name="Zr96" wo="0.02511169542" />
+      <sab name="c_H_in_H2O" />
+    </material>
+    <material id="12" name="Bottom of fuel assemblies">
+      <density units="g/cm3" value="1.762" />
+      <nuclide name="H1" wo="0.0292856" />
+      <nuclide name="O16" wo="0.2323919" />
+      <nuclide name="B10" wo="9.44159e-05" />
+      <nuclide name="B11" wo="0.00043012" />
+      <nuclide name="Zr90" wo="0.3741373658" />
+      <nuclide name="Zr91" wo="0.0824858164" />
+      <nuclide name="Zr92" wo="0.1274914944" />
+      <nuclide name="Zr94" wo="0.1319920622" />
+      <nuclide name="Zr96" wo="0.0216912612" />
+      <sab name="c_H_in_H2O" />
+    </material>
+  </materials>
+  <geometry>
+    <cell fill="200" id="1" region="-6 34 -35" universe="0" />
+    <cell fill="201" id="2" region="-6 35 -36" universe="0" />
+    <cell id="3" material="8" region="-7 31 -32" universe="0" />
+    <cell id="4" material="9" region="-5 32 -33" universe="0" />
+    <cell id="5" material="12" region="-5 33 -34" universe="0" />
+    <cell id="6" material="11" region="-5 36 -37" universe="0" />
+    <cell id="7" material="10" region="-5 37 -38" universe="0" />
+    <cell id="8" material="7" region="-7 38 -39" universe="0" />
+    <cell id="9" material="9" region="6 -7 32 -38" universe="0" />
+    <cell id="10" material="5" region="7 -8 31 -39" universe="0" />
+    <cell id="11" material="6" region="5 -6 32 -34" universe="0" />
+    <cell id="12" material="7" region="5 -6 36 -38" universe="0" />
+    <cell id="21" material="1" region="-1" universe="1" />
+    <cell id="22" material="2" region="1 -2" universe="1" />
+    <cell id="23" material="3" region="2" universe="1" />
+    <cell id="24" material="3" region="-3" universe="2" />
+    <cell id="25" material="2" region="3 -4" universe="2" />
+    <cell id="26" material="3" region="4" universe="2" />
+    <cell id="27" material="1" region="-1" universe="3" />
+    <cell id="28" material="2" region="1 -2" universe="3" />
+    <cell id="29" material="4" region="2" universe="3" />
+    <cell id="30" material="4" region="-3" universe="4" />
+    <cell id="31" material="2" region="3 -4" universe="4" />
+    <cell id="32" material="4" region="4" universe="4" />
+    <cell id="50" material="3" region="34 -35" universe="5" />
+    <cell fill="100" id="60" region="34 -35" universe="6" />
+    <cell id="70" material="4" region="35 -36" universe="7" />
+    <cell fill="101" id="80" region="35 -36" universe="8" />
+    <lattice id="100" name="Fuel assembly (lower half)">
+      <pitch>1.26 1.26</pitch>
+      <dimension>17 17</dimension>
+      <lower_left>-10.71 -10.71</lower_left>
+      <universes>
 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 
 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 
 1 1 1 1 1 2 1 1 2 1 1 2 1 1 1 1 1 
@@ -50,12 +199,12 @@
 1 1 1 1 1 2 1 1 2 1 1 2 1 1 1 1 1 
 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 
 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 </universes>
-  </lattice>
-  <lattice id="101" name="Fuel assembly (upper half)">
-    <pitch>1.26 1.26</pitch>
-    <dimension>17 17</dimension>
-    <lower_left>-10.71 -10.71</lower_left>
-    <universes>
+    </lattice>
+    <lattice id="101" name="Fuel assembly (upper half)">
+      <pitch>1.26 1.26</pitch>
+      <dimension>17 17</dimension>
+      <lower_left>-10.71 -10.71</lower_left>
+      <universes>
 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
 3 3 3 3 3 4 3 3 4 3 3 4 3 3 3 3 3 
@@ -73,12 +222,12 @@
 3 3 3 3 3 4 3 3 4 3 3 4 3 3 3 3 3 
 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 </universes>
-  </lattice>
-  <lattice id="200" name="Core lattice (lower half)">
-    <pitch>21.42 21.42</pitch>
-    <dimension>21 21</dimension>
-    <lower_left>-224.91 -224.91</lower_left>
-    <universes>
+    </lattice>
+    <lattice id="200" name="Core lattice (lower half)">
+      <pitch>21.42 21.42</pitch>
+      <dimension>21 21</dimension>
+      <lower_left>-224.91 -224.91</lower_left>
+      <universes>
 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 
 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 
 5 5 5 5 5 5 5 6 6 6 6 6 6 6 5 5 5 5 5 5 5 
@@ -100,12 +249,12 @@
 5 5 5 5 5 5 5 6 6 6 6 6 6 6 5 5 5 5 5 5 5 
 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 
 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 </universes>
-  </lattice>
-  <lattice id="201" name="Core lattice (lower half)">
-    <pitch>21.42 21.42</pitch>
-    <dimension>21 21</dimension>
-    <lower_left>-224.91 -224.91</lower_left>
-    <universes>
+    </lattice>
+    <lattice id="201" name="Core lattice (lower half)">
+      <pitch>21.42 21.42</pitch>
+      <dimension>21 21</dimension>
+      <lower_left>-224.91 -224.91</lower_left>
+      <universes>
 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 
 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 
 7 7 7 7 7 7 7 8 8 8 8 8 8 8 7 7 7 7 7 7 7 
@@ -127,222 +276,72 @@
 7 7 7 7 7 7 7 8 8 8 8 8 8 8 7 7 7 7 7 7 7 
 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 
 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 </universes>
-  </lattice>
-  <surface coeffs="0.0 0.0 0.41" id="1" type="z-cylinder" />
-  <surface coeffs="0.0 0.0 0.475" id="2" type="z-cylinder" />
-  <surface coeffs="0.0 0.0 0.56" id="3" type="z-cylinder" />
-  <surface coeffs="0.0 0.0 0.62" id="4" type="z-cylinder" />
-  <surface coeffs="0.0 0.0 187.6" id="5" type="z-cylinder" />
-  <surface coeffs="0.0 0.0 209.0" id="6" type="z-cylinder" />
-  <surface coeffs="0.0 0.0 229.0" id="7" type="z-cylinder" />
-  <surface boundary="vacuum" coeffs="0.0 0.0 249.0" id="8" type="z-cylinder" />
-  <surface boundary="vacuum" coeffs="-229.0" id="31" type="z-plane" />
-  <surface coeffs="-199.0" id="32" type="z-plane" />
-  <surface coeffs="-193.0" id="33" type="z-plane" />
-  <surface coeffs="-183.0" id="34" type="z-plane" />
-  <surface coeffs="0.0" id="35" type="z-plane" />
-  <surface coeffs="183.0" id="36" type="z-plane" />
-  <surface coeffs="203.0" id="37" type="z-plane" />
-  <surface coeffs="215.0" id="38" type="z-plane" />
-  <surface boundary="vacuum" coeffs="223.0" id="39" type="z-plane" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-  <material depletable="true" id="1" name="UOX fuel">
-    <density units="g/cm3" value="10.062" />
-    <nuclide ao="4.9476e-06" name="U234" />
-    <nuclide ao="0.00048218" name="U235" />
-    <nuclide ao="0.021504" name="U238" />
-    <nuclide ao="1.0801e-08" name="Xe135" />
-    <nuclide ao="0.045737" name="O16" />
-  </material>
-  <material id="2" name="Zircaloy">
-    <density units="g/cm3" value="5.77" />
-    <nuclide ao="0.5145" name="Zr90" />
-    <nuclide ao="0.1122" name="Zr91" />
-    <nuclide ao="0.1715" name="Zr92" />
-    <nuclide ao="0.1738" name="Zr94" />
-    <nuclide ao="0.028" name="Zr96" />
-  </material>
-  <material id="3" name="Cold borated water">
-    <density units="atom/b-cm" value="0.07416" />
-    <nuclide ao="2.0" name="H1" />
-    <nuclide ao="1.0" name="O16" />
-    <nuclide ao="0.000649" name="B10" />
-    <nuclide ao="0.002689" name="B11" />
-    <sab name="c_H_in_H2O" />
-  </material>
-  <material id="4" name="Hot borated water">
-    <density units="atom/b-cm" value="0.06614" />
-    <nuclide ao="2.0" name="H1" />
-    <nuclide ao="1.0" name="O16" />
-    <nuclide ao="0.000649" name="B10" />
-    <nuclide ao="0.002689" name="B11" />
-    <sab name="c_H_in_H2O" />
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-  <material id="5" name="Reactor pressure vessel steel">
-    <density units="g/cm3" value="7.9" />
-    <nuclide name="Fe54" wo="0.05437098" />
-    <nuclide name="Fe56" wo="0.88500663" />
-    <nuclide name="Fe57" wo="0.0208008" />
-    <nuclide name="Fe58" wo="0.00282159" />
-    <nuclide name="Ni58" wo="0.0067198" />
-    <nuclide name="Ni60" wo="0.0026776" />
-    <nuclide name="Mn55" wo="0.01" />
-    <nuclide name="Cr52" wo="0.002092475" />
-    <nuclide name="C0" wo="0.0025" />
-    <nuclide name="Cu63" wo="0.0013696" />
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-  <material id="6" name="Lower radial reflector">
-    <density units="g/cm3" value="4.32" />
-    <nuclide name="H1" wo="0.0095661" />
-    <nuclide name="O16" wo="0.0759107" />
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-    <nuclide name="Cr52" wo="0.145407678031" />
-    <sab name="c_H_in_H2O" />
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-  <material id="7" name="Upper radial reflector / Top plate region">
-    <density units="g/cm3" value="4.28" />
-    <nuclide name="H1" wo="0.0086117" />
-    <nuclide name="O16" wo="0.0683369" />
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-    <nuclide name="Cr52" wo="0.146766614995" />
-    <sab name="c_H_in_H2O" />
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-  <material id="8" name="Bottom plate region">
-    <density units="g/cm3" value="7.184" />
-    <nuclide name="H1" wo="0.0011505" />
-    <nuclide name="O16" wo="0.0091296" />
-    <nuclide name="B10" wo="3.70915e-06" />
-    <nuclide name="B11" wo="1.68974e-05" />
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-    <nuclide name="Cr52" wo="0.157390026871" />
-    <sab name="c_H_in_H2O" />
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-  <material id="9" name="Bottom nozzle region">
-    <density units="g/cm3" value="2.53" />
-    <nuclide name="H1" wo="0.0245014" />
-    <nuclide name="O16" wo="0.1944274" />
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-    <nuclide name="Cr52" wo="0.124142524198" />
-    <sab name="c_H_in_H2O" />
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-  <material id="10" name="Top nozzle region">
-    <density units="g/cm3" value="1.746" />
-    <nuclide name="H1" wo="0.035887" />
-    <nuclide name="O16" wo="0.2847761" />
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-    <nuclide name="Cr52" wo="0.107931450781" />
-    <sab name="c_H_in_H2O" />
-  </material>
-  <material id="11" name="Top of fuel assemblies">
-    <density units="g/cm3" value="3.044" />
-    <nuclide name="H1" wo="0.0162913" />
-    <nuclide name="O16" wo="0.1292776" />
-    <nuclide name="B10" wo="5.25228e-05" />
-    <nuclide name="B11" wo="0.000239272" />
-    <nuclide name="Zr90" wo="0.43313403903" />
-    <nuclide name="Zr91" wo="0.09549277374" />
-    <nuclide name="Zr92" wo="0.14759527104" />
-    <nuclide name="Zr94" wo="0.15280552077" />
-    <nuclide name="Zr96" wo="0.02511169542" />
-    <sab name="c_H_in_H2O" />
-  </material>
-  <material id="12" name="Bottom of fuel assemblies">
-    <density units="g/cm3" value="1.762" />
-    <nuclide name="H1" wo="0.0292856" />
-    <nuclide name="O16" wo="0.2323919" />
-    <nuclide name="B10" wo="9.44159e-05" />
-    <nuclide name="B11" wo="0.00043012" />
-    <nuclide name="Zr90" wo="0.3741373658" />
-    <nuclide name="Zr91" wo="0.0824858164" />
-    <nuclide name="Zr92" wo="0.1274914944" />
-    <nuclide name="Zr94" wo="0.1319920622" />
-    <nuclide name="Zr96" wo="0.0216912612" />
-    <sab name="c_H_in_H2O" />
-  </material>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>eigenvalue</run_mode>
-  <particles>100</particles>
-  <batches>10</batches>
-  <inactive>5</inactive>
-  <source strength="1.0">
-    <space type="box">
-      <parameters>-160 -160 -183 160 160 183</parameters>
-    </space>
-  </source>
-</settings>
-<?xml version='1.0' encoding='utf-8'?>
-<tallies>
-  <!--mesh-->
-  <mesh id="1">
-    <dimension>2 2</dimension>
-    <lower_left>-50.0 -50.0</lower_left>
-    <upper_right>50.0 50.0</upper_right>
-  </mesh>
-  <filter id="16" type="cell">
-    <bins>21 27</bins>
-  </filter>
-  <filter id="8" type="energy">
-    <bins>0.0 0.625 20000000.0</bins>
-  </filter>
-  <filter id="6" type="distribcell">
-    <bins>21</bins>
-  </filter>
-  <filter id="7" type="mesh">
-    <bins>1</bins>
-  </filter>
-  <tally id="31" name="cell tally">
-    <filters>16 8</filters>
-    <nuclides>U235 U238</nuclides>
-    <scores>fission nu-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="32" name="distribcell tally">
-    <filters>6 8</filters>
-    <nuclides>U235 U238</nuclides>
-    <scores>fission nu-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="33" name="mesh tally">
-    <filters>7 8</filters>
-    <nuclides>U235 U238</nuclides>
-    <scores>fission nu-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-</tallies>
+    </lattice>
+    <surface coeffs="0.0 0.0 0.41" id="1" type="z-cylinder" />
+    <surface coeffs="0.0 0.0 0.475" id="2" type="z-cylinder" />
+    <surface coeffs="0.0 0.0 0.56" id="3" type="z-cylinder" />
+    <surface coeffs="0.0 0.0 0.62" id="4" type="z-cylinder" />
+    <surface coeffs="0.0 0.0 187.6" id="5" type="z-cylinder" />
+    <surface coeffs="0.0 0.0 209.0" id="6" type="z-cylinder" />
+    <surface coeffs="0.0 0.0 229.0" id="7" type="z-cylinder" />
+    <surface boundary="vacuum" coeffs="0.0 0.0 249.0" id="8" type="z-cylinder" />
+    <surface boundary="vacuum" coeffs="-229.0" id="31" type="z-plane" />
+    <surface coeffs="-199.0" id="32" type="z-plane" />
+    <surface coeffs="-193.0" id="33" type="z-plane" />
+    <surface coeffs="-183.0" id="34" type="z-plane" />
+    <surface coeffs="0.0" id="35" type="z-plane" />
+    <surface coeffs="183.0" id="36" type="z-plane" />
+    <surface coeffs="203.0" id="37" type="z-plane" />
+    <surface coeffs="215.0" id="38" type="z-plane" />
+    <surface boundary="vacuum" coeffs="223.0" id="39" type="z-plane" />
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>10</batches>
+    <inactive>5</inactive>
+    <source strength="1.0">
+      <space type="box">
+        <parameters>-160 -160 -183 160 160 183</parameters>
+      </space>
+    </source>
+  </settings>
+  <tallies>
+    <!--mesh-->
+    <mesh id="1">
+      <dimension>2 2</dimension>
+      <lower_left>-50.0 -50.0</lower_left>
+      <upper_right>50.0 50.0</upper_right>
+    </mesh>
+    <filter id="16" type="cell">
+      <bins>21 27</bins>
+    </filter>
+    <filter id="8" type="energy">
+      <bins>0.0 0.625 20000000.0</bins>
+    </filter>
+    <filter id="6" type="distribcell">
+      <bins>21</bins>
+    </filter>
+    <filter id="7" type="mesh">
+      <bins>1</bins>
+    </filter>
+    <tally id="31" name="cell tally">
+      <filters>16 8</filters>
+      <nuclides>U235 U238</nuclides>
+      <scores>fission nu-fission</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="32" name="distribcell tally">
+      <filters>6 8</filters>
+      <nuclides>U235 U238</nuclides>
+      <scores>fission nu-fission</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="33" name="mesh tally">
+      <filters>7 8</filters>
+      <nuclides>U235 U238</nuclides>
+      <scores>fission nu-fission</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/torus/inputs_true.dat b/tests/regression_tests/torus/inputs_true.dat
index 0ccbda400..c4aa2072a 100644
--- a/tests/regression_tests/torus/inputs_true.dat
+++ b/tests/regression_tests/torus/inputs_true.dat
@@ -1,34 +1,34 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell id="1" material="1" region="-2" universe="1" />
-  <cell id="2" material="1" region="-3" universe="1" />
-  <cell id="3" material="1" region="-1" universe="1" />
-  <cell id="4" material="2" region="-5 4 -7 6 -9 8 2 3 1" universe="1" />
-  <surface coeffs="0.0 0.0 0.0 3 1.5 1" id="1" type="z-torus" />
-  <surface coeffs="6 0.0 0.0 3 1.5 1" id="2" type="x-torus" />
-  <surface coeffs="6 0.0 0.0 6 1 0.75" id="3" type="y-torus" />
-  <surface boundary="vacuum" coeffs="-5" id="4" type="x-plane" />
-  <surface boundary="vacuum" coeffs="14" id="5" type="x-plane" />
-  <surface boundary="vacuum" coeffs="-5" id="6" type="y-plane" />
-  <surface boundary="vacuum" coeffs="5" id="7" type="y-plane" />
-  <surface boundary="vacuum" coeffs="-8" id="8" type="z-plane" />
-  <surface boundary="vacuum" coeffs="8" id="9" type="z-plane" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-  <material depletable="true" id="1">
-    <density units="g/cm3" value="12.0" />
-    <nuclide ao="1.0" name="U235" />
-  </material>
-  <material id="2">
-    <density units="g/cm3" value="1.0" />
-    <nuclide ao="1.0" name="H1" />
-  </material>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>eigenvalue</run_mode>
-  <particles>1000</particles>
-  <batches>10</batches>
-  <inactive>5</inactive>
-</settings>
+<model>
+  <materials>
+    <material depletable="true" id="1">
+      <density units="g/cm3" value="12.0" />
+      <nuclide ao="1.0" name="U235" />
+    </material>
+    <material id="2">
+      <density units="g/cm3" value="1.0" />
+      <nuclide ao="1.0" name="H1" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="-2" universe="1" />
+    <cell id="2" material="1" region="-3" universe="1" />
+    <cell id="3" material="1" region="-1" universe="1" />
+    <cell id="4" material="2" region="-5 4 -7 6 -9 8 2 3 1" universe="1" />
+    <surface coeffs="0.0 0.0 0.0 3 1.5 1" id="1" type="z-torus" />
+    <surface coeffs="6 0.0 0.0 3 1.5 1" id="2" type="x-torus" />
+    <surface coeffs="6 0.0 0.0 6 1 0.75" id="3" type="y-torus" />
+    <surface boundary="vacuum" coeffs="-5" id="4" type="x-plane" />
+    <surface boundary="vacuum" coeffs="14" id="5" type="x-plane" />
+    <surface boundary="vacuum" coeffs="-5" id="6" type="y-plane" />
+    <surface boundary="vacuum" coeffs="5" id="7" type="y-plane" />
+    <surface boundary="vacuum" coeffs="-8" id="8" type="z-plane" />
+    <surface boundary="vacuum" coeffs="8" id="9" type="z-plane" />
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>1000</particles>
+    <batches>10</batches>
+    <inactive>5</inactive>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/torus/large_major/inputs_true.dat b/tests/regression_tests/torus/large_major/inputs_true.dat
index ae3f72d0f..8e3c9a9e3 100644
--- a/tests/regression_tests/torus/large_major/inputs_true.dat
+++ b/tests/regression_tests/torus/large_major/inputs_true.dat
@@ -1,37 +1,36 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell id="1" material="void" region="-1" universe="1" />
-  <cell id="2" material="1" region="1 -2" universe="1" />
-  <cell id="3" material="2" region="2 -3" universe="1" />
-  <surface coeffs="0.0 0.0 0.0 1000.0 30.0 30.0" id="1" type="z-torus" />
-  <surface coeffs="0.0 0.0 0.0 1000.0 35.0 35.0" id="2" type="z-torus" />
-  <surface boundary="vacuum" coeffs="0.0 0.0 0.0 1000.0 40.0 40.0" id="3" type="z-torus" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-  <material id="1">
-    <density units="g/cm3" value="1.0" />
-    <nuclide ao="1.0" name="W184" />
-  </material>
-  <material id="2">
-    <density units="g/cm3" value="5.0" />
-    <nuclide ao="1.0" name="Fe56" />
-  </material>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>fixed source</run_mode>
-  <particles>1000</particles>
-  <batches>10</batches>
-  <source strength="1.0">
-    <space type="point">
-      <parameters>-1000.0 0 0</parameters>
-    </space>
-  </source>
-</settings>
-<?xml version='1.0' encoding='utf-8'?>
-<tallies>
-  <tally id="1">
-    <scores>flux</scores>
-  </tally>
-</tallies>
+<model>
+  <materials>
+    <material id="1">
+      <density units="g/cm3" value="1.0" />
+      <nuclide ao="1.0" name="W184" />
+    </material>
+    <material id="2">
+      <density units="g/cm3" value="5.0" />
+      <nuclide ao="1.0" name="Fe56" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="void" region="-1" universe="1" />
+    <cell id="2" material="1" region="1 -2" universe="1" />
+    <cell id="3" material="2" region="2 -3" universe="1" />
+    <surface coeffs="0.0 0.0 0.0 1000.0 30.0 30.0" id="1" type="z-torus" />
+    <surface coeffs="0.0 0.0 0.0 1000.0 35.0 35.0" id="2" type="z-torus" />
+    <surface boundary="vacuum" coeffs="0.0 0.0 0.0 1000.0 40.0 40.0" id="3" type="z-torus" />
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>1000</particles>
+    <batches>10</batches>
+    <source strength="1.0">
+      <space type="point">
+        <parameters>-1000.0 0 0</parameters>
+      </space>
+    </source>
+  </settings>
+  <tallies>
+    <tally id="1">
+      <scores>flux</scores>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/trigger_statepoint_restart/inputs_true.dat b/tests/regression_tests/trigger_statepoint_restart/inputs_true.dat
index 2c422697b..d30f24fc0 100644
--- a/tests/regression_tests/trigger_statepoint_restart/inputs_true.dat
+++ b/tests/regression_tests/trigger_statepoint_restart/inputs_true.dat
@@ -1,35 +1,34 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell id="1" material="1" region="-1" universe="1" />
-  <surface boundary="vacuum" coeffs="0.0 0.0 0.0 10.0" id="1" type="sphere" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-  <material depletable="true" id="1">
-    <density units="g/cm3" value="4.5" />
-    <nuclide ao="1.0" name="U235" />
-  </material>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>eigenvalue</run_mode>
-  <particles>400</particles>
-  <batches>15</batches>
-  <inactive>10</inactive>
-  <keff_trigger>
-    <threshold>0.003</threshold>
-    <type>std_dev</type>
-  </keff_trigger>
-  <trigger>
-    <active>true</active>
-    <max_batches>1000</max_batches>
-    <batch_interval>1</batch_interval>
-  </trigger>
-  <verbosity>1</verbosity>
-</settings>
-<?xml version='1.0' encoding='utf-8'?>
-<tallies>
-  <tally id="1">
-    <scores>flux</scores>
-  </tally>
-</tallies>
+<model>
+  <materials>
+    <material depletable="true" id="1">
+      <density units="g/cm3" value="4.5" />
+      <nuclide ao="1.0" name="U235" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="-1" universe="1" />
+    <surface boundary="vacuum" coeffs="0.0 0.0 0.0 10.0" id="1" type="sphere" />
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>400</particles>
+    <batches>15</batches>
+    <inactive>10</inactive>
+    <keff_trigger>
+      <threshold>0.003</threshold>
+      <type>std_dev</type>
+    </keff_trigger>
+    <trigger>
+      <active>true</active>
+      <max_batches>1000</max_batches>
+      <batch_interval>1</batch_interval>
+    </trigger>
+    <verbosity>1</verbosity>
+  </settings>
+  <tallies>
+    <tally id="1">
+      <scores>flux</scores>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/triso/inputs_true.dat b/tests/regression_tests/triso/inputs_true.dat
index 2ea049465..c43483884 100644
--- a/tests/regression_tests/triso/inputs_true.dat
+++ b/tests/regression_tests/triso/inputs_true.dat
@@ -1,442 +1,442 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell id="13" material="13" region="-9" universe="9" />
-  <cell id="14" material="14" region="9 -10" universe="9" />
-  <cell id="15" material="15" region="10 -11" universe="9" />
-  <cell id="16" material="16" region="11 -12" universe="9" />
-  <cell id="17" material="17" region="12" universe="9" />
-  <cell fill="10" id="18" region="13 -14 15 -16 17 -18" universe="0" />
-  <cell fill="9" id="135" region="-128" translation="-0.0014062011817633224 -0.015257747167296776 -0.09184766966024316" universe="35" />
-  <cell fill="9" id="136" region="-129" translation="0.10909902639777394 -0.004179177767328068 -0.046240930185910245" universe="23" />
-  <cell fill="9" id="137" region="-130" translation="0.13878336652768952 -0.06900710536877097 -0.03848821497485455" universe="18" />
-  <cell fill="9" id="138" region="-131" translation="-0.19454996680564374 -0.06900710536877097 -0.03848821497485455" universe="19" />
-  <cell fill="9" id="139" region="-132" translation="-0.09846455191076986 -0.02594038069469251 -0.06155174933292362" universe="26" />
-  <cell fill="9" id="140" region="-133" translation="-0.09321591784308736 -0.12248857482372477 -0.04999802384282931" universe="22" />
-  <cell fill="9" id="141" region="-134" translation="0.2028198996079864 0.08501514690643278 0.07431198844628262" universe="30" />
-  <cell fill="9" id="142" region="-135" translation="-0.13051343372534685 0.08501514690643278 0.07431198844628262" universe="31" />
-  <cell fill="9" id="143" region="-136" translation="0.03417350410997999 -0.09641153719944834 -0.10112098092715327" universe="13" />
-  <cell fill="9" id="144" region="-137" translation="0.037913118842446136 0.06870772519039314 -0.10875752039644154" universe="27" />
-  <cell fill="9" id="145" region="-138" translation="0.07388008140640989 -0.07130227505402231 -0.09782982564187503" universe="14" />
-  <cell fill="9" id="146" region="-139" translation="0.08897214754414112 0.08694165211410448 0.07587737301598729" universe="11" />
-  <cell fill="9" id="147" region="-140" translation="-0.03698302711710488 0.1408784014909229 -0.10474284149572705" universe="12" />
-  <cell fill="9" id="148" region="-141" translation="-0.03698302711710488 -0.19245493184241047 -0.10474284149572705" universe="15" />
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-  <cell fill="9" id="155" region="-148" translation="-0.013741908464450836 -0.15316755780280183 -0.1305643581908511" universe="32" />
-  <cell fill="9" id="156" region="-149" translation="0.19334606515602848 0.066228023881572 -0.07131104153532436" universe="27" />
-  <cell fill="9" id="157" region="-150" translation="-0.13998726817730478 0.066228023881572 -0.07131104153532436" universe="28" />
-  <cell fill="9" id="158" region="-151" translation="-0.031185656140686913 0.155914746052082 0.15331720509241947" universe="16" />
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-  <cell fill="9" id="162" region="-155" translation="0.08018004492442865 0.016826191928232426 -0.016389596762212966" universe="36" />
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-  <cell fill="9" id="166" region="-159" translation="0.0339716094789545 0.044675266050854034 -0.14744951566224762" universe="32" />
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+    <surface coeffs="-0.13298945801991469 0.02227169438582799 -0.1460168810348249 0.04225" id="184" type="sphere" />
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+    <surface coeffs="0.06943697893246592 -0.1636494615445378 0.11988276699391809 0.04225" id="191" type="sphere" />
+    <surface coeffs="-0.07059889277962383 0.1489570802132021 0.09503214710980579 0.04225" id="192" type="sphere" />
+    <surface coeffs="-0.07059889277962383 -0.18437625312013128 0.09503214710980579 0.04225" id="193" type="sphere" />
+    <surface coeffs="0.010468267263955 0.15608028424842002 -0.00511339431390323 0.04225" id="194" type="sphere" />
+    <surface coeffs="0.010468267263955 -0.17725304908491335 -0.00511339431390323 0.04225" id="195" type="sphere" />
+    <surface coeffs="0.15972123417512762 0.06883522628651784 -0.11009587369358387 0.04225" id="196" type="sphere" />
+    <surface coeffs="-0.17361209915820575 0.06883522628651784 -0.11009587369358387 0.04225" id="197" type="sphere" />
+    <surface coeffs="0.08981179676970563 0.06434186205946246 0.032607233968534766 0.04225" id="198" type="sphere" />
+    <surface coeffs="0.0033702311569031584 0.10040789537086448 0.1867831868031803 0.04225" id="199" type="sphere" />
+    <surface coeffs="0.0033702311569031584 0.10040789537086448 -0.14655014653015297 0.04225" id="200" type="sphere" />
+    <surface coeffs="0.05329895281727448 -0.02881629065525937 0.15193411713913396 0.04225" id="201" type="sphere" />
+    <surface coeffs="0.05329895281727448 -0.02881629065525937 -0.1813992161941993 0.04225" id="202" type="sphere" />
+    <surface coeffs="0.14663786554095865 -0.0001831711922081758 0.173437280372308 0.04225" id="203" type="sphere" />
+    <surface coeffs="-0.18669546779237473 -0.0001831711922081758 0.173437280372308 0.04225" id="204" type="sphere" />
+    <surface coeffs="0.14663786554095865 -0.0001831711922081758 -0.15989605296102538 0.04225" id="205" type="sphere" />
+    <surface coeffs="-0.18669546779237473 -0.0001831711922081758 -0.15989605296102538 0.04225" id="206" type="sphere" />
+    <surface coeffs="0.006886156712931468 0.0325721225173089 -0.10785254014381473 0.04225" id="207" type="sphere" />
+    <surface coeffs="0.05946426530734861 0.17562994884896627 0.11256068342977466 0.04225" id="208" type="sphere" />
+    <surface coeffs="0.05946426530734861 -0.1577033844843671 0.11256068342977466 0.04225" id="209" type="sphere" />
+    <surface coeffs="-0.0745211393530899 0.18602539894086317 0.07061211191996841 0.04225" id="210" type="sphere" />
+    <surface coeffs="-0.0745211393530899 -0.1473079343924702 0.07061211191996841 0.04225" id="211" type="sphere" />
+    <surface coeffs="0.15971361633210523 -0.02416800360737892 0.062334297185282495 0.04225" id="212" type="sphere" />
+    <surface coeffs="-0.17361971700122802 -0.02416800360737892 0.062334297185282495 0.04225" id="213" type="sphere" />
+    <surface coeffs="-0.014191419448261688 0.11114945107218455 0.0903966514577691 0.04225" id="214" type="sphere" />
+    <surface coeffs="0.20641337800388493 -0.04689191572037532 0.03093832014609521 0.04225" id="215" type="sphere" />
+    <surface coeffs="-0.12691995532944833 -0.04689191572037532 0.03093832014609521 0.04225" id="216" type="sphere" />
+    <surface coeffs="0.042925982468302815 0.0705557158479822 -0.09611246805643225 0.04225" id="217" type="sphere" />
+    <surface coeffs="0.09174118398607445 -0.02102680816462299 -0.12074712654412828 0.04225" id="218" type="sphere" />
+    <surface coeffs="0.1871144659776534 0.14219092895822716 0.0030395151604761805 0.04225" id="219" type="sphere" />
+    <surface coeffs="-0.14621886735567996 0.14219092895822716 0.0030395151604761805 0.04225" id="220" type="sphere" />
+    <surface coeffs="0.1871144659776534 -0.1911424043751062 0.0030395151604761805 0.04225" id="221" type="sphere" />
+    <surface coeffs="-0.14621886735567996 -0.1911424043751062 0.0030395151604761805 0.04225" id="222" type="sphere" />
+    <surface coeffs="-0.08858601205119498 -0.05740809172565153 0.0018937978357634888 0.04225" id="223" type="sphere" />
+    <surface coeffs="-0.06956272452538859 -0.03258611645335985 0.1876749617320655 0.04225" id="224" type="sphere" />
+    <surface coeffs="-0.06956272452538859 -0.03258611645335985 -0.14565837160126788 0.04225" id="225" type="sphere" />
+    <surface coeffs="0.06480048668590577 0.08039356693483157 -0.0495807099830502 0.04225" id="226" type="sphere" />
+    <surface coeffs="0.11976882848311299 0.024414887718198774 0.059001075831400684 0.04225" id="227" type="sphere" />
+    <surface coeffs="0.055815690196973966 -0.03866224334773988 0.12934415570493119 0.04225" id="228" type="sphere" />
+    <surface coeffs="0.055815690196973966 -0.03866224334773988 -0.20398917762840219 0.04225" id="229" type="sphere" />
+    <surface coeffs="-0.07057140884385227 -0.033261585924167725 -0.11308117958912334 0.04225" id="230" type="sphere" />
+    <surface coeffs="0.0191891610992464 -0.08777511864372084 0.09496767886953814 0.04225" id="231" type="sphere" />
+    <surface coeffs="0.11357577214048964 -0.07231206070759028 -0.01862315233444045 0.04225" id="232" type="sphere" />
+    <surface coeffs="0.028822870329182626 0.09660360434040871 -0.10994545899370212 0.04225" id="233" type="sphere" />
+    <surface coeffs="-0.030272006016200004 0.04272149160139638 -0.11143715881676097 0.04225" id="234" type="sphere" />
+    <surface coeffs="0.09719339210824351 0.04131007428864286 0.14476192535372884 0.04225" id="235" type="sphere" />
+    <surface coeffs="0.09719339210824351 0.04131007428864286 -0.18857140797960453 0.04225" id="236" type="sphere" />
+    <surface coeffs="0.1075803128789849 -0.02104725713738881 -0.03274843538002781 0.04225" id="237" type="sphere" />
+    <surface coeffs="0.1392019576325615 -0.08814436128642017 -0.11479828495132216 0.04225" id="238" type="sphere" />
+    <surface coeffs="-0.19413137570077177 -0.08814436128642017 -0.11479828495132216 0.04225" id="239" type="sphere" />
+    <surface coeffs="0.10847197677361597 0.1461592302081176 0.08841042383901798 0.04225" id="240" type="sphere" />
+    <surface coeffs="0.10847197677361597 -0.18717410312521576 0.08841042383901798 0.04225" id="241" type="sphere" />
+    <surface coeffs="0.045127058382085194 0.0967807216119615 0.0967653665331849 0.04225" id="242" type="sphere" />
+    <surface coeffs="-0.022464471745497094 0.07259277205138148 0.10785219865057927 0.04225" id="243" type="sphere" />
+    <surface coeffs="0.10606353369903221 0.03928703229725711 0.17228776926768086 0.04225" id="244" type="sphere" />
+    <surface coeffs="0.10606353369903221 0.03928703229725711 -0.1610455640656524 0.04225" id="245" type="sphere" />
+    <surface coeffs="0.14815941963538226 0.11277655887534538 0.03808687169681996 0.04225" id="246" type="sphere" />
+    <surface coeffs="-0.185173913697951 0.11277655887534538 0.03808687169681996 0.04225" id="247" type="sphere" />
+    <surface coeffs="0.15693581669068946 0.10114531834923532 -0.04992356195780889 0.04225" id="248" type="sphere" />
+    <surface coeffs="-0.17639751664264391 0.10114531834923532 -0.04992356195780889 0.04225" id="249" type="sphere" />
+    <surface coeffs="0.13264357875679378 0.10919805128102966 -0.04769549879176793 0.04225" id="250" type="sphere" />
+    <surface coeffs="-0.2006897545765396 0.10919805128102966 -0.04769549879176793 0.04225" id="251" type="sphere" />
+    <surface coeffs="0.13916564434634993 0.13134319648704007 0.07015912178562622 0.04225" id="252" type="sphere" />
+    <surface coeffs="-0.19416768898698333 0.13134319648704007 0.07015912178562622 0.04225" id="253" type="sphere" />
+    <surface coeffs="0.13916564434634993 -0.2019901368462932 0.07015912178562622 0.04225" id="254" type="sphere" />
+    <surface coeffs="-0.19416768898698333 -0.2019901368462932 0.07015912178562622 0.04225" id="255" type="sphere" />
+    <surface coeffs="-0.10026688643231585 0.1564443552698941 0.1751728484794038 0.04225" id="256" type="sphere" />
+    <surface coeffs="-0.10026688643231585 -0.17688897806343928 0.1751728484794038 0.04225" id="257" type="sphere" />
+    <surface coeffs="-0.10026688643231585 0.1564443552698941 -0.15816048485392958 0.04225" id="258" type="sphere" />
+    <surface coeffs="-0.10026688643231585 -0.17688897806343928 -0.15816048485392958 0.04225" id="259" type="sphere" />
+    <surface coeffs="0.16555436030710213 -0.015531455219433332 0.02691614144169241 0.04225" id="260" type="sphere" />
+    <surface coeffs="-0.16777897302623124 -0.015531455219433332 0.02691614144169241 0.04225" id="261" type="sphere" />
+    <surface coeffs="0.152805274648522 0.18166556620660584 0.040488366683789634 0.04225" id="262" type="sphere" />
+    <surface coeffs="-0.18052805868481137 0.18166556620660584 0.040488366683789634 0.04225" id="263" type="sphere" />
+    <surface coeffs="0.152805274648522 -0.15166776712672753 0.040488366683789634 0.04225" id="264" type="sphere" />
+    <surface coeffs="-0.18052805868481137 -0.15166776712672753 0.040488366683789634 0.04225" id="265" type="sphere" />
+    <surface coeffs="0.07231116694829032 0.08785370537091952 0.09997055589943346 0.04225" id="266" type="sphere" />
+    <surface coeffs="-0.10576424362412257 0.09874497232579027 -0.05820080940738992 0.04225" id="267" type="sphere" />
+    <surface coeffs="0.046877953125145755 -0.059492732184222796 -0.055635341857650844 0.04225" id="268" type="sphere" />
+    <surface coeffs="0.1239423066569788 0.14183046274229005 -0.06583818749209458 0.04225" id="269" type="sphere" />
+    <surface coeffs="0.1239423066569788 -0.19150287059104332 -0.06583818749209458 0.04225" id="270" type="sphere" />
+    <surface coeffs="0.0013087859341976982 -0.06327594480884835 -0.05382522074205143 0.04225" id="271" type="sphere" />
+    <surface coeffs="0.11058883669906516 -0.038954175820645864 0.16834558789033005 0.04225" id="272" type="sphere" />
+    <surface coeffs="0.11058883669906516 -0.038954175820645864 -0.16498774544300332 0.04225" id="273" type="sphere" />
+    <surface coeffs="-0.02657010065724863 0.013144978841080679 0.050587944514051575 0.04225" id="274" type="sphere" />
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>4</batches>
+    <inactive>0</inactive>
+    <source strength="1.0">
+      <space type="point">
+        <parameters>0.0 0.0 0.0</parameters>
+      </space>
+    </source>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/triso/test.py b/tests/regression_tests/triso/test.py
index c44715691..248724cc2 100644
--- a/tests/regression_tests/triso/test.py
+++ b/tests/regression_tests/triso/test.py
@@ -9,7 +9,8 @@ from tests.testing_harness import PyAPITestHarness
 
 
 class TRISOTestHarness(PyAPITestHarness):
-    def _build_inputs(self):
+    def __init__(self, *args, **kwargs):
+        super().__init__(*args, **kwargs)
         # Define TRISO matrials
         fuel = openmc.Material()
         fuel.set_density('g/cm3', 10.5)
@@ -78,20 +79,19 @@ class TRISOTestHarness(PyAPITestHarness):
         box.fill = lattice
 
         root = openmc.Universe(0, cells=[box])
-        geom = openmc.Geometry(root)
-        geom.export_to_xml()
+        self._model.geometry = openmc.Geometry(root)
 
         settings = openmc.Settings()
         settings.batches = 4
         settings.inactive = 0
         settings.particles = 100
         settings.source = openmc.Source(space=openmc.stats.Point())
-        settings.export_to_xml()
+        self._model.settings = settings
 
-        mats = openmc.Materials([fuel, porous_carbon, ipyc, sic, opyc, graphite])
-        mats.export_to_xml()
+        self._model.materials = openmc.Materials([fuel, porous_carbon, ipyc,
+                                                  sic, opyc, graphite])
 
 
 def test_triso():
-    harness = TRISOTestHarness('statepoint.4.h5')
+    harness = TRISOTestHarness('statepoint.4.h5', model=openmc.Model())
     harness.main()
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true.dat b/tests/regression_tests/unstructured_mesh/inputs_true.dat
index e556782ad..dba721d7e 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true.dat
@@ -1,91 +1,90 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell id="1" material="1" name="fuel" region="1 -2 3 -4 5 -6" universe="1" />
-  <cell id="2" material="2" name="clad" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1" />
-  <cell id="3" material="3" name="water" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1" />
-  <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane" />
-  <surface coeffs="5.0" id="2" name="maximum x" type="x-plane" />
-  <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane" />
-  <surface coeffs="5.0" id="4" name="maximum y" type="y-plane" />
-  <surface coeffs="-5.0" id="5" name="minimum z" type="z-plane" />
-  <surface coeffs="5.0" id="6" name="maximum z" type="z-plane" />
-  <surface coeffs="-6.0" id="7" name="minimum x" type="x-plane" />
-  <surface coeffs="6.0" id="8" name="maximum x" type="x-plane" />
-  <surface coeffs="-6.0" id="9" name="minimum y" type="y-plane" />
-  <surface coeffs="6.0" id="10" name="maximum y" type="y-plane" />
-  <surface coeffs="-6.0" id="11" name="minimum z" type="z-plane" />
-  <surface coeffs="6.0" id="12" name="maximum z" type="z-plane" />
-  <surface boundary="vacuum" coeffs="-10.0" id="13" name="minimum x" type="x-plane" />
-  <surface boundary="vacuum" coeffs="10.0" id="14" name="maximum x" type="x-plane" />
-  <surface boundary="vacuum" coeffs="-10.0" id="15" name="minimum y" type="y-plane" />
-  <surface boundary="vacuum" coeffs="10.0" id="16" name="maximum y" type="y-plane" />
-  <surface boundary="vacuum" coeffs="-10.0" id="17" name="minimum z" type="z-plane" />
-  <surface boundary="vacuum" coeffs="10.0" id="18" name="maximum z" type="z-plane" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-  <material depletable="true" id="1" name="fuel">
-    <density units="g/cc" value="4.5" />
-    <nuclide ao="1.0" name="U235" />
-  </material>
-  <material id="2" name="zircaloy">
-    <density units="g/cc" value="5.77" />
-    <nuclide ao="0.5145" name="Zr90" />
-    <nuclide ao="0.1122" name="Zr91" />
-    <nuclide ao="0.1715" name="Zr92" />
-    <nuclide ao="0.1738" name="Zr94" />
-    <nuclide ao="0.028" name="Zr96" />
-  </material>
-  <material id="3" name="water">
-    <density units="atom/b-cm" value="0.07416" />
-    <nuclide ao="2.0" name="H1" />
-    <nuclide ao="1.0" name="O16" />
-  </material>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>fixed source</run_mode>
-  <particles>1000</particles>
-  <batches>10</batches>
-  <source strength="1.0">
-    <space origin="0.0 0.0 0.0" type="spherical">
-      <r parameters="0.0 0.0" type="uniform" />
-      <cos_theta type="discrete">
-        <parameters>1.0 1.0</parameters>
-      </cos_theta>
-      <phi type="discrete">
-        <parameters>0.0 1.0</parameters>
-      </phi>
-    </space>
-    <energy type="discrete">
-      <parameters>15000000.0 1.0</parameters>
-    </energy>
-  </source>
-</settings>
-<?xml version='1.0' encoding='utf-8'?>
-<tallies>
-  <mesh id="1">
-    <dimension>10 10 10</dimension>
-    <lower_left>-10.0 -10.0 -10.0</lower_left>
-    <upper_right>10.0 10.0 10.0</upper_right>
-  </mesh>
-  <mesh id="2" library="libmesh" type="unstructured">
-    <filename>test_mesh_hexes.e</filename>
-  </mesh>
-  <filter id="1" type="mesh">
-    <bins>1</bins>
-  </filter>
-  <filter id="2" type="mesh">
-    <bins>2</bins>
-  </filter>
-  <tally id="1" name="regular mesh tally">
-    <filters>1</filters>
-    <scores>flux</scores>
-    <estimator>collision</estimator>
-  </tally>
-  <tally id="2" name="unstructured mesh tally">
-    <filters>2</filters>
-    <scores>flux</scores>
-    <estimator>collision</estimator>
-  </tally>
-</tallies>
+<model>
+  <materials>
+    <material depletable="true" id="1" name="fuel">
+      <density units="g/cc" value="4.5" />
+      <nuclide ao="1.0" name="U235" />
+    </material>
+    <material id="2" name="zircaloy">
+      <density units="g/cc" value="5.77" />
+      <nuclide ao="0.5145" name="Zr90" />
+      <nuclide ao="0.1122" name="Zr91" />
+      <nuclide ao="0.1715" name="Zr92" />
+      <nuclide ao="0.1738" name="Zr94" />
+      <nuclide ao="0.028" name="Zr96" />
+    </material>
+    <material id="3" name="water">
+      <density units="atom/b-cm" value="0.07416" />
+      <nuclide ao="2.0" name="H1" />
+      <nuclide ao="1.0" name="O16" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" name="fuel" region="1 -2 3 -4 5 -6" universe="1" />
+    <cell id="2" material="2" name="clad" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1" />
+    <cell id="3" material="3" name="water" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1" />
+    <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane" />
+    <surface coeffs="5.0" id="2" name="maximum x" type="x-plane" />
+    <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane" />
+    <surface coeffs="5.0" id="4" name="maximum y" type="y-plane" />
+    <surface coeffs="-5.0" id="5" name="minimum z" type="z-plane" />
+    <surface coeffs="5.0" id="6" name="maximum z" type="z-plane" />
+    <surface coeffs="-6.0" id="7" name="minimum x" type="x-plane" />
+    <surface coeffs="6.0" id="8" name="maximum x" type="x-plane" />
+    <surface coeffs="-6.0" id="9" name="minimum y" type="y-plane" />
+    <surface coeffs="6.0" id="10" name="maximum y" type="y-plane" />
+    <surface coeffs="-6.0" id="11" name="minimum z" type="z-plane" />
+    <surface coeffs="6.0" id="12" name="maximum z" type="z-plane" />
+    <surface boundary="vacuum" coeffs="-10.0" id="13" name="minimum x" type="x-plane" />
+    <surface boundary="vacuum" coeffs="10.0" id="14" name="maximum x" type="x-plane" />
+    <surface boundary="vacuum" coeffs="-10.0" id="15" name="minimum y" type="y-plane" />
+    <surface boundary="vacuum" coeffs="10.0" id="16" name="maximum y" type="y-plane" />
+    <surface boundary="vacuum" coeffs="-10.0" id="17" name="minimum z" type="z-plane" />
+    <surface boundary="vacuum" coeffs="10.0" id="18" name="maximum z" type="z-plane" />
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>1000</particles>
+    <batches>10</batches>
+    <source strength="1.0">
+      <space origin="0.0 0.0 0.0" type="spherical">
+        <r parameters="0.0 0.0" type="uniform" />
+        <cos_theta type="discrete">
+          <parameters>1.0 1.0</parameters>
+        </cos_theta>
+        <phi type="discrete">
+          <parameters>0.0 1.0</parameters>
+        </phi>
+      </space>
+      <energy type="discrete">
+        <parameters>15000000.0 1.0</parameters>
+      </energy>
+    </source>
+  </settings>
+  <tallies>
+    <mesh id="1">
+      <dimension>10 10 10</dimension>
+      <lower_left>-10.0 -10.0 -10.0</lower_left>
+      <upper_right>10.0 10.0 10.0</upper_right>
+    </mesh>
+    <mesh id="2" library="libmesh" type="unstructured">
+      <filename>test_mesh_hexes.e</filename>
+    </mesh>
+    <filter id="1" type="mesh">
+      <bins>1</bins>
+    </filter>
+    <filter id="2" type="mesh">
+      <bins>2</bins>
+    </filter>
+    <tally id="1" name="regular mesh tally">
+      <filters>1</filters>
+      <scores>flux</scores>
+      <estimator>collision</estimator>
+    </tally>
+    <tally id="2" name="unstructured mesh tally">
+      <filters>2</filters>
+      <scores>flux</scores>
+      <estimator>collision</estimator>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true0.dat b/tests/regression_tests/unstructured_mesh/inputs_true0.dat
index 2e2594cde..7c3b5a53a 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true0.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true0.dat
@@ -1,91 +1,90 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell id="1" material="1" name="fuel" region="1 -2 3 -4 5 -6" universe="1" />
-  <cell id="2" material="2" name="clad" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1" />
-  <cell id="3" material="3" name="water" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1" />
-  <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane" />
-  <surface coeffs="5.0" id="2" name="maximum x" type="x-plane" />
-  <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane" />
-  <surface coeffs="5.0" id="4" name="maximum y" type="y-plane" />
-  <surface coeffs="-5.0" id="5" name="minimum z" type="z-plane" />
-  <surface coeffs="5.0" id="6" name="maximum z" type="z-plane" />
-  <surface coeffs="-6.0" id="7" name="minimum x" type="x-plane" />
-  <surface coeffs="6.0" id="8" name="maximum x" type="x-plane" />
-  <surface coeffs="-6.0" id="9" name="minimum y" type="y-plane" />
-  <surface coeffs="6.0" id="10" name="maximum y" type="y-plane" />
-  <surface coeffs="-6.0" id="11" name="minimum z" type="z-plane" />
-  <surface coeffs="6.0" id="12" name="maximum z" type="z-plane" />
-  <surface boundary="vacuum" coeffs="-15.0" id="13" name="minimum x" type="x-plane" />
-  <surface boundary="vacuum" coeffs="15.0" id="14" name="maximum x" type="x-plane" />
-  <surface boundary="vacuum" coeffs="-15.0" id="15" name="minimum y" type="y-plane" />
-  <surface boundary="vacuum" coeffs="15.0" id="16" name="maximum y" type="y-plane" />
-  <surface boundary="vacuum" coeffs="-15.0" id="17" name="minimum z" type="z-plane" />
-  <surface boundary="vacuum" coeffs="15.0" id="18" name="maximum z" type="z-plane" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-  <material depletable="true" id="1" name="fuel">
-    <density units="g/cc" value="4.5" />
-    <nuclide ao="1.0" name="U235" />
-  </material>
-  <material id="2" name="zircaloy">
-    <density units="g/cc" value="5.77" />
-    <nuclide ao="0.5145" name="Zr90" />
-    <nuclide ao="0.1122" name="Zr91" />
-    <nuclide ao="0.1715" name="Zr92" />
-    <nuclide ao="0.1738" name="Zr94" />
-    <nuclide ao="0.028" name="Zr96" />
-  </material>
-  <material id="3" name="water">
-    <density units="atom/b-cm" value="0.07416" />
-    <nuclide ao="2.0" name="H1" />
-    <nuclide ao="1.0" name="O16" />
-  </material>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>fixed source</run_mode>
-  <particles>1000</particles>
-  <batches>10</batches>
-  <source strength="1.0">
-    <space origin="0.0 0.0 0.0" type="spherical">
-      <r parameters="0.0 0.0" type="uniform" />
-      <cos_theta type="discrete">
-        <parameters>1.0 1.0</parameters>
-      </cos_theta>
-      <phi type="discrete">
-        <parameters>0.0 1.0</parameters>
-      </phi>
-    </space>
-    <energy type="discrete">
-      <parameters>15000000.0 1.0</parameters>
-    </energy>
-  </source>
-</settings>
-<?xml version='1.0' encoding='utf-8'?>
-<tallies>
-  <mesh id="1">
-    <dimension>10 10 10</dimension>
-    <lower_left>-10.0 -10.0 -10.0</lower_left>
-    <upper_right>10.0 10.0 10.0</upper_right>
-  </mesh>
-  <mesh id="2" library="libmesh" type="unstructured">
-    <filename>test_mesh_tets_w_holes.e</filename>
-  </mesh>
-  <filter id="1" type="mesh">
-    <bins>1</bins>
-  </filter>
-  <filter id="2" type="mesh">
-    <bins>2</bins>
-  </filter>
-  <tally id="1" name="regular mesh tally">
-    <filters>1</filters>
-    <scores>flux</scores>
-    <estimator>collision</estimator>
-  </tally>
-  <tally id="2" name="unstructured mesh tally">
-    <filters>2</filters>
-    <scores>flux</scores>
-    <estimator>collision</estimator>
-  </tally>
-</tallies>
+<model>
+  <materials>
+    <material depletable="true" id="1" name="fuel">
+      <density units="g/cc" value="4.5" />
+      <nuclide ao="1.0" name="U235" />
+    </material>
+    <material id="2" name="zircaloy">
+      <density units="g/cc" value="5.77" />
+      <nuclide ao="0.5145" name="Zr90" />
+      <nuclide ao="0.1122" name="Zr91" />
+      <nuclide ao="0.1715" name="Zr92" />
+      <nuclide ao="0.1738" name="Zr94" />
+      <nuclide ao="0.028" name="Zr96" />
+    </material>
+    <material id="3" name="water">
+      <density units="atom/b-cm" value="0.07416" />
+      <nuclide ao="2.0" name="H1" />
+      <nuclide ao="1.0" name="O16" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" name="fuel" region="1 -2 3 -4 5 -6" universe="1" />
+    <cell id="2" material="2" name="clad" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1" />
+    <cell id="3" material="3" name="water" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1" />
+    <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane" />
+    <surface coeffs="5.0" id="2" name="maximum x" type="x-plane" />
+    <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane" />
+    <surface coeffs="5.0" id="4" name="maximum y" type="y-plane" />
+    <surface coeffs="-5.0" id="5" name="minimum z" type="z-plane" />
+    <surface coeffs="5.0" id="6" name="maximum z" type="z-plane" />
+    <surface coeffs="-6.0" id="7" name="minimum x" type="x-plane" />
+    <surface coeffs="6.0" id="8" name="maximum x" type="x-plane" />
+    <surface coeffs="-6.0" id="9" name="minimum y" type="y-plane" />
+    <surface coeffs="6.0" id="10" name="maximum y" type="y-plane" />
+    <surface coeffs="-6.0" id="11" name="minimum z" type="z-plane" />
+    <surface coeffs="6.0" id="12" name="maximum z" type="z-plane" />
+    <surface boundary="vacuum" coeffs="-15.0" id="13" name="minimum x" type="x-plane" />
+    <surface boundary="vacuum" coeffs="15.0" id="14" name="maximum x" type="x-plane" />
+    <surface boundary="vacuum" coeffs="-15.0" id="15" name="minimum y" type="y-plane" />
+    <surface boundary="vacuum" coeffs="15.0" id="16" name="maximum y" type="y-plane" />
+    <surface boundary="vacuum" coeffs="-15.0" id="17" name="minimum z" type="z-plane" />
+    <surface boundary="vacuum" coeffs="15.0" id="18" name="maximum z" type="z-plane" />
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>1000</particles>
+    <batches>10</batches>
+    <source strength="1.0">
+      <space origin="0.0 0.0 0.0" type="spherical">
+        <r parameters="0.0 0.0" type="uniform" />
+        <cos_theta type="discrete">
+          <parameters>1.0 1.0</parameters>
+        </cos_theta>
+        <phi type="discrete">
+          <parameters>0.0 1.0</parameters>
+        </phi>
+      </space>
+      <energy type="discrete">
+        <parameters>15000000.0 1.0</parameters>
+      </energy>
+    </source>
+  </settings>
+  <tallies>
+    <mesh id="1">
+      <dimension>10 10 10</dimension>
+      <lower_left>-10.0 -10.0 -10.0</lower_left>
+      <upper_right>10.0 10.0 10.0</upper_right>
+    </mesh>
+    <mesh id="2" library="libmesh" type="unstructured">
+      <filename>test_mesh_tets_w_holes.e</filename>
+    </mesh>
+    <filter id="1" type="mesh">
+      <bins>1</bins>
+    </filter>
+    <filter id="2" type="mesh">
+      <bins>2</bins>
+    </filter>
+    <tally id="1" name="regular mesh tally">
+      <filters>1</filters>
+      <scores>flux</scores>
+      <estimator>collision</estimator>
+    </tally>
+    <tally id="2" name="unstructured mesh tally">
+      <filters>2</filters>
+      <scores>flux</scores>
+      <estimator>collision</estimator>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true1.dat b/tests/regression_tests/unstructured_mesh/inputs_true1.dat
index 84a3b186b..2a0ca5168 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true1.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true1.dat
@@ -1,91 +1,90 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell id="1" material="1" name="fuel" region="1 -2 3 -4 5 -6" universe="1" />
-  <cell id="2" material="2" name="clad" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1" />
-  <cell id="3" material="3" name="water" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1" />
-  <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane" />
-  <surface coeffs="5.0" id="2" name="maximum x" type="x-plane" />
-  <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane" />
-  <surface coeffs="5.0" id="4" name="maximum y" type="y-plane" />
-  <surface coeffs="-5.0" id="5" name="minimum z" type="z-plane" />
-  <surface coeffs="5.0" id="6" name="maximum z" type="z-plane" />
-  <surface coeffs="-6.0" id="7" name="minimum x" type="x-plane" />
-  <surface coeffs="6.0" id="8" name="maximum x" type="x-plane" />
-  <surface coeffs="-6.0" id="9" name="minimum y" type="y-plane" />
-  <surface coeffs="6.0" id="10" name="maximum y" type="y-plane" />
-  <surface coeffs="-6.0" id="11" name="minimum z" type="z-plane" />
-  <surface coeffs="6.0" id="12" name="maximum z" type="z-plane" />
-  <surface boundary="vacuum" coeffs="-15.0" id="13" name="minimum x" type="x-plane" />
-  <surface boundary="vacuum" coeffs="15.0" id="14" name="maximum x" type="x-plane" />
-  <surface boundary="vacuum" coeffs="-15.0" id="15" name="minimum y" type="y-plane" />
-  <surface boundary="vacuum" coeffs="15.0" id="16" name="maximum y" type="y-plane" />
-  <surface boundary="vacuum" coeffs="-15.0" id="17" name="minimum z" type="z-plane" />
-  <surface boundary="vacuum" coeffs="15.0" id="18" name="maximum z" type="z-plane" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-  <material depletable="true" id="1" name="fuel">
-    <density units="g/cc" value="4.5" />
-    <nuclide ao="1.0" name="U235" />
-  </material>
-  <material id="2" name="zircaloy">
-    <density units="g/cc" value="5.77" />
-    <nuclide ao="0.5145" name="Zr90" />
-    <nuclide ao="0.1122" name="Zr91" />
-    <nuclide ao="0.1715" name="Zr92" />
-    <nuclide ao="0.1738" name="Zr94" />
-    <nuclide ao="0.028" name="Zr96" />
-  </material>
-  <material id="3" name="water">
-    <density units="atom/b-cm" value="0.07416" />
-    <nuclide ao="2.0" name="H1" />
-    <nuclide ao="1.0" name="O16" />
-  </material>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>fixed source</run_mode>
-  <particles>1000</particles>
-  <batches>10</batches>
-  <source strength="1.0">
-    <space origin="0.0 0.0 0.0" type="spherical">
-      <r parameters="0.0 0.0" type="uniform" />
-      <cos_theta type="discrete">
-        <parameters>1.0 1.0</parameters>
-      </cos_theta>
-      <phi type="discrete">
-        <parameters>0.0 1.0</parameters>
-      </phi>
-    </space>
-    <energy type="discrete">
-      <parameters>15000000.0 1.0</parameters>
-    </energy>
-  </source>
-</settings>
-<?xml version='1.0' encoding='utf-8'?>
-<tallies>
-  <mesh id="1">
-    <dimension>10 10 10</dimension>
-    <lower_left>-10.0 -10.0 -10.0</lower_left>
-    <upper_right>10.0 10.0 10.0</upper_right>
-  </mesh>
-  <mesh id="2" library="libmesh" type="unstructured">
-    <filename>test_mesh_tets.e</filename>
-  </mesh>
-  <filter id="1" type="mesh">
-    <bins>1</bins>
-  </filter>
-  <filter id="2" type="mesh">
-    <bins>2</bins>
-  </filter>
-  <tally id="1" name="regular mesh tally">
-    <filters>1</filters>
-    <scores>flux</scores>
-    <estimator>collision</estimator>
-  </tally>
-  <tally id="2" name="unstructured mesh tally">
-    <filters>2</filters>
-    <scores>flux</scores>
-    <estimator>collision</estimator>
-  </tally>
-</tallies>
+<model>
+  <materials>
+    <material depletable="true" id="1" name="fuel">
+      <density units="g/cc" value="4.5" />
+      <nuclide ao="1.0" name="U235" />
+    </material>
+    <material id="2" name="zircaloy">
+      <density units="g/cc" value="5.77" />
+      <nuclide ao="0.5145" name="Zr90" />
+      <nuclide ao="0.1122" name="Zr91" />
+      <nuclide ao="0.1715" name="Zr92" />
+      <nuclide ao="0.1738" name="Zr94" />
+      <nuclide ao="0.028" name="Zr96" />
+    </material>
+    <material id="3" name="water">
+      <density units="atom/b-cm" value="0.07416" />
+      <nuclide ao="2.0" name="H1" />
+      <nuclide ao="1.0" name="O16" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" name="fuel" region="1 -2 3 -4 5 -6" universe="1" />
+    <cell id="2" material="2" name="clad" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1" />
+    <cell id="3" material="3" name="water" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1" />
+    <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane" />
+    <surface coeffs="5.0" id="2" name="maximum x" type="x-plane" />
+    <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane" />
+    <surface coeffs="5.0" id="4" name="maximum y" type="y-plane" />
+    <surface coeffs="-5.0" id="5" name="minimum z" type="z-plane" />
+    <surface coeffs="5.0" id="6" name="maximum z" type="z-plane" />
+    <surface coeffs="-6.0" id="7" name="minimum x" type="x-plane" />
+    <surface coeffs="6.0" id="8" name="maximum x" type="x-plane" />
+    <surface coeffs="-6.0" id="9" name="minimum y" type="y-plane" />
+    <surface coeffs="6.0" id="10" name="maximum y" type="y-plane" />
+    <surface coeffs="-6.0" id="11" name="minimum z" type="z-plane" />
+    <surface coeffs="6.0" id="12" name="maximum z" type="z-plane" />
+    <surface boundary="vacuum" coeffs="-15.0" id="13" name="minimum x" type="x-plane" />
+    <surface boundary="vacuum" coeffs="15.0" id="14" name="maximum x" type="x-plane" />
+    <surface boundary="vacuum" coeffs="-15.0" id="15" name="minimum y" type="y-plane" />
+    <surface boundary="vacuum" coeffs="15.0" id="16" name="maximum y" type="y-plane" />
+    <surface boundary="vacuum" coeffs="-15.0" id="17" name="minimum z" type="z-plane" />
+    <surface boundary="vacuum" coeffs="15.0" id="18" name="maximum z" type="z-plane" />
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>1000</particles>
+    <batches>10</batches>
+    <source strength="1.0">
+      <space origin="0.0 0.0 0.0" type="spherical">
+        <r parameters="0.0 0.0" type="uniform" />
+        <cos_theta type="discrete">
+          <parameters>1.0 1.0</parameters>
+        </cos_theta>
+        <phi type="discrete">
+          <parameters>0.0 1.0</parameters>
+        </phi>
+      </space>
+      <energy type="discrete">
+        <parameters>15000000.0 1.0</parameters>
+      </energy>
+    </source>
+  </settings>
+  <tallies>
+    <mesh id="1">
+      <dimension>10 10 10</dimension>
+      <lower_left>-10.0 -10.0 -10.0</lower_left>
+      <upper_right>10.0 10.0 10.0</upper_right>
+    </mesh>
+    <mesh id="2" library="libmesh" type="unstructured">
+      <filename>test_mesh_tets.e</filename>
+    </mesh>
+    <filter id="1" type="mesh">
+      <bins>1</bins>
+    </filter>
+    <filter id="2" type="mesh">
+      <bins>2</bins>
+    </filter>
+    <tally id="1" name="regular mesh tally">
+      <filters>1</filters>
+      <scores>flux</scores>
+      <estimator>collision</estimator>
+    </tally>
+    <tally id="2" name="unstructured mesh tally">
+      <filters>2</filters>
+      <scores>flux</scores>
+      <estimator>collision</estimator>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true10.dat b/tests/regression_tests/unstructured_mesh/inputs_true10.dat
index e9272a333..1290a9835 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true10.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true10.dat
@@ -1,91 +1,90 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell id="1" material="1" name="fuel" region="1 -2 3 -4 5 -6" universe="1" />
-  <cell id="2" material="2" name="clad" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1" />
-  <cell id="3" material="3" name="water" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1" />
-  <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane" />
-  <surface coeffs="5.0" id="2" name="maximum x" type="x-plane" />
-  <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane" />
-  <surface coeffs="5.0" id="4" name="maximum y" type="y-plane" />
-  <surface coeffs="-5.0" id="5" name="minimum z" type="z-plane" />
-  <surface coeffs="5.0" id="6" name="maximum z" type="z-plane" />
-  <surface coeffs="-6.0" id="7" name="minimum x" type="x-plane" />
-  <surface coeffs="6.0" id="8" name="maximum x" type="x-plane" />
-  <surface coeffs="-6.0" id="9" name="minimum y" type="y-plane" />
-  <surface coeffs="6.0" id="10" name="maximum y" type="y-plane" />
-  <surface coeffs="-6.0" id="11" name="minimum z" type="z-plane" />
-  <surface coeffs="6.0" id="12" name="maximum z" type="z-plane" />
-  <surface boundary="vacuum" coeffs="-10.0" id="13" name="minimum x" type="x-plane" />
-  <surface boundary="vacuum" coeffs="10.0" id="14" name="maximum x" type="x-plane" />
-  <surface boundary="vacuum" coeffs="-10.0" id="15" name="minimum y" type="y-plane" />
-  <surface boundary="vacuum" coeffs="10.0" id="16" name="maximum y" type="y-plane" />
-  <surface boundary="vacuum" coeffs="-10.0" id="17" name="minimum z" type="z-plane" />
-  <surface boundary="vacuum" coeffs="10.0" id="18" name="maximum z" type="z-plane" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-  <material depletable="true" id="1" name="fuel">
-    <density units="g/cc" value="4.5" />
-    <nuclide ao="1.0" name="U235" />
-  </material>
-  <material id="2" name="zircaloy">
-    <density units="g/cc" value="5.77" />
-    <nuclide ao="0.5145" name="Zr90" />
-    <nuclide ao="0.1122" name="Zr91" />
-    <nuclide ao="0.1715" name="Zr92" />
-    <nuclide ao="0.1738" name="Zr94" />
-    <nuclide ao="0.028" name="Zr96" />
-  </material>
-  <material id="3" name="water">
-    <density units="atom/b-cm" value="0.07416" />
-    <nuclide ao="2.0" name="H1" />
-    <nuclide ao="1.0" name="O16" />
-  </material>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>fixed source</run_mode>
-  <particles>1000</particles>
-  <batches>10</batches>
-  <source strength="1.0">
-    <space origin="0.0 0.0 0.0" type="spherical">
-      <r parameters="0.0 0.0" type="uniform" />
-      <cos_theta type="discrete">
-        <parameters>1.0 1.0</parameters>
-      </cos_theta>
-      <phi type="discrete">
-        <parameters>0.0 1.0</parameters>
-      </phi>
-    </space>
-    <energy type="discrete">
-      <parameters>15000000.0 1.0</parameters>
-    </energy>
-  </source>
-</settings>
-<?xml version='1.0' encoding='utf-8'?>
-<tallies>
-  <mesh id="1">
-    <dimension>10 10 10</dimension>
-    <lower_left>-10.0 -10.0 -10.0</lower_left>
-    <upper_right>10.0 10.0 10.0</upper_right>
-  </mesh>
-  <mesh id="2" library="moab" type="unstructured">
-    <filename>test_mesh_tets_w_holes.e</filename>
-  </mesh>
-  <filter id="1" type="mesh">
-    <bins>1</bins>
-  </filter>
-  <filter id="2" type="mesh">
-    <bins>2</bins>
-  </filter>
-  <tally id="1" name="regular mesh tally">
-    <filters>1</filters>
-    <scores>flux</scores>
-    <estimator>collision</estimator>
-  </tally>
-  <tally id="2" name="unstructured mesh tally">
-    <filters>2</filters>
-    <scores>flux</scores>
-    <estimator>collision</estimator>
-  </tally>
-</tallies>
+<model>
+  <materials>
+    <material depletable="true" id="1" name="fuel">
+      <density units="g/cc" value="4.5" />
+      <nuclide ao="1.0" name="U235" />
+    </material>
+    <material id="2" name="zircaloy">
+      <density units="g/cc" value="5.77" />
+      <nuclide ao="0.5145" name="Zr90" />
+      <nuclide ao="0.1122" name="Zr91" />
+      <nuclide ao="0.1715" name="Zr92" />
+      <nuclide ao="0.1738" name="Zr94" />
+      <nuclide ao="0.028" name="Zr96" />
+    </material>
+    <material id="3" name="water">
+      <density units="atom/b-cm" value="0.07416" />
+      <nuclide ao="2.0" name="H1" />
+      <nuclide ao="1.0" name="O16" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" name="fuel" region="1 -2 3 -4 5 -6" universe="1" />
+    <cell id="2" material="2" name="clad" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1" />
+    <cell id="3" material="3" name="water" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1" />
+    <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane" />
+    <surface coeffs="5.0" id="2" name="maximum x" type="x-plane" />
+    <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane" />
+    <surface coeffs="5.0" id="4" name="maximum y" type="y-plane" />
+    <surface coeffs="-5.0" id="5" name="minimum z" type="z-plane" />
+    <surface coeffs="5.0" id="6" name="maximum z" type="z-plane" />
+    <surface coeffs="-6.0" id="7" name="minimum x" type="x-plane" />
+    <surface coeffs="6.0" id="8" name="maximum x" type="x-plane" />
+    <surface coeffs="-6.0" id="9" name="minimum y" type="y-plane" />
+    <surface coeffs="6.0" id="10" name="maximum y" type="y-plane" />
+    <surface coeffs="-6.0" id="11" name="minimum z" type="z-plane" />
+    <surface coeffs="6.0" id="12" name="maximum z" type="z-plane" />
+    <surface boundary="vacuum" coeffs="-10.0" id="13" name="minimum x" type="x-plane" />
+    <surface boundary="vacuum" coeffs="10.0" id="14" name="maximum x" type="x-plane" />
+    <surface boundary="vacuum" coeffs="-10.0" id="15" name="minimum y" type="y-plane" />
+    <surface boundary="vacuum" coeffs="10.0" id="16" name="maximum y" type="y-plane" />
+    <surface boundary="vacuum" coeffs="-10.0" id="17" name="minimum z" type="z-plane" />
+    <surface boundary="vacuum" coeffs="10.0" id="18" name="maximum z" type="z-plane" />
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>1000</particles>
+    <batches>10</batches>
+    <source strength="1.0">
+      <space origin="0.0 0.0 0.0" type="spherical">
+        <r parameters="0.0 0.0" type="uniform" />
+        <cos_theta type="discrete">
+          <parameters>1.0 1.0</parameters>
+        </cos_theta>
+        <phi type="discrete">
+          <parameters>0.0 1.0</parameters>
+        </phi>
+      </space>
+      <energy type="discrete">
+        <parameters>15000000.0 1.0</parameters>
+      </energy>
+    </source>
+  </settings>
+  <tallies>
+    <mesh id="1">
+      <dimension>10 10 10</dimension>
+      <lower_left>-10.0 -10.0 -10.0</lower_left>
+      <upper_right>10.0 10.0 10.0</upper_right>
+    </mesh>
+    <mesh id="2" library="moab" type="unstructured">
+      <filename>test_mesh_tets_w_holes.e</filename>
+    </mesh>
+    <filter id="1" type="mesh">
+      <bins>1</bins>
+    </filter>
+    <filter id="2" type="mesh">
+      <bins>2</bins>
+    </filter>
+    <tally id="1" name="regular mesh tally">
+      <filters>1</filters>
+      <scores>flux</scores>
+      <estimator>collision</estimator>
+    </tally>
+    <tally id="2" name="unstructured mesh tally">
+      <filters>2</filters>
+      <scores>flux</scores>
+      <estimator>collision</estimator>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true11.dat b/tests/regression_tests/unstructured_mesh/inputs_true11.dat
index 0b89d280c..5edb5cf0f 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true11.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true11.dat
@@ -1,91 +1,90 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell id="1" material="1" name="fuel" region="1 -2 3 -4 5 -6" universe="1" />
-  <cell id="2" material="2" name="clad" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1" />
-  <cell id="3" material="3" name="water" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1" />
-  <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane" />
-  <surface coeffs="5.0" id="2" name="maximum x" type="x-plane" />
-  <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane" />
-  <surface coeffs="5.0" id="4" name="maximum y" type="y-plane" />
-  <surface coeffs="-5.0" id="5" name="minimum z" type="z-plane" />
-  <surface coeffs="5.0" id="6" name="maximum z" type="z-plane" />
-  <surface coeffs="-6.0" id="7" name="minimum x" type="x-plane" />
-  <surface coeffs="6.0" id="8" name="maximum x" type="x-plane" />
-  <surface coeffs="-6.0" id="9" name="minimum y" type="y-plane" />
-  <surface coeffs="6.0" id="10" name="maximum y" type="y-plane" />
-  <surface coeffs="-6.0" id="11" name="minimum z" type="z-plane" />
-  <surface coeffs="6.0" id="12" name="maximum z" type="z-plane" />
-  <surface boundary="vacuum" coeffs="-10.0" id="13" name="minimum x" type="x-plane" />
-  <surface boundary="vacuum" coeffs="10.0" id="14" name="maximum x" type="x-plane" />
-  <surface boundary="vacuum" coeffs="-10.0" id="15" name="minimum y" type="y-plane" />
-  <surface boundary="vacuum" coeffs="10.0" id="16" name="maximum y" type="y-plane" />
-  <surface boundary="vacuum" coeffs="-10.0" id="17" name="minimum z" type="z-plane" />
-  <surface boundary="vacuum" coeffs="10.0" id="18" name="maximum z" type="z-plane" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-  <material depletable="true" id="1" name="fuel">
-    <density units="g/cc" value="4.5" />
-    <nuclide ao="1.0" name="U235" />
-  </material>
-  <material id="2" name="zircaloy">
-    <density units="g/cc" value="5.77" />
-    <nuclide ao="0.5145" name="Zr90" />
-    <nuclide ao="0.1122" name="Zr91" />
-    <nuclide ao="0.1715" name="Zr92" />
-    <nuclide ao="0.1738" name="Zr94" />
-    <nuclide ao="0.028" name="Zr96" />
-  </material>
-  <material id="3" name="water">
-    <density units="atom/b-cm" value="0.07416" />
-    <nuclide ao="2.0" name="H1" />
-    <nuclide ao="1.0" name="O16" />
-  </material>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>fixed source</run_mode>
-  <particles>1000</particles>
-  <batches>10</batches>
-  <source strength="1.0">
-    <space origin="0.0 0.0 0.0" type="spherical">
-      <r parameters="0.0 0.0" type="uniform" />
-      <cos_theta type="discrete">
-        <parameters>1.0 1.0</parameters>
-      </cos_theta>
-      <phi type="discrete">
-        <parameters>0.0 1.0</parameters>
-      </phi>
-    </space>
-    <energy type="discrete">
-      <parameters>15000000.0 1.0</parameters>
-    </energy>
-  </source>
-</settings>
-<?xml version='1.0' encoding='utf-8'?>
-<tallies>
-  <mesh id="1">
-    <dimension>10 10 10</dimension>
-    <lower_left>-10.0 -10.0 -10.0</lower_left>
-    <upper_right>10.0 10.0 10.0</upper_right>
-  </mesh>
-  <mesh id="2" library="moab" type="unstructured">
-    <filename>test_mesh_tets.e</filename>
-  </mesh>
-  <filter id="1" type="mesh">
-    <bins>1</bins>
-  </filter>
-  <filter id="2" type="mesh">
-    <bins>2</bins>
-  </filter>
-  <tally id="1" name="regular mesh tally">
-    <filters>1</filters>
-    <scores>flux</scores>
-    <estimator>collision</estimator>
-  </tally>
-  <tally id="2" name="unstructured mesh tally">
-    <filters>2</filters>
-    <scores>flux</scores>
-    <estimator>collision</estimator>
-  </tally>
-</tallies>
+<model>
+  <materials>
+    <material depletable="true" id="1" name="fuel">
+      <density units="g/cc" value="4.5" />
+      <nuclide ao="1.0" name="U235" />
+    </material>
+    <material id="2" name="zircaloy">
+      <density units="g/cc" value="5.77" />
+      <nuclide ao="0.5145" name="Zr90" />
+      <nuclide ao="0.1122" name="Zr91" />
+      <nuclide ao="0.1715" name="Zr92" />
+      <nuclide ao="0.1738" name="Zr94" />
+      <nuclide ao="0.028" name="Zr96" />
+    </material>
+    <material id="3" name="water">
+      <density units="atom/b-cm" value="0.07416" />
+      <nuclide ao="2.0" name="H1" />
+      <nuclide ao="1.0" name="O16" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" name="fuel" region="1 -2 3 -4 5 -6" universe="1" />
+    <cell id="2" material="2" name="clad" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1" />
+    <cell id="3" material="3" name="water" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1" />
+    <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane" />
+    <surface coeffs="5.0" id="2" name="maximum x" type="x-plane" />
+    <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane" />
+    <surface coeffs="5.0" id="4" name="maximum y" type="y-plane" />
+    <surface coeffs="-5.0" id="5" name="minimum z" type="z-plane" />
+    <surface coeffs="5.0" id="6" name="maximum z" type="z-plane" />
+    <surface coeffs="-6.0" id="7" name="minimum x" type="x-plane" />
+    <surface coeffs="6.0" id="8" name="maximum x" type="x-plane" />
+    <surface coeffs="-6.0" id="9" name="minimum y" type="y-plane" />
+    <surface coeffs="6.0" id="10" name="maximum y" type="y-plane" />
+    <surface coeffs="-6.0" id="11" name="minimum z" type="z-plane" />
+    <surface coeffs="6.0" id="12" name="maximum z" type="z-plane" />
+    <surface boundary="vacuum" coeffs="-10.0" id="13" name="minimum x" type="x-plane" />
+    <surface boundary="vacuum" coeffs="10.0" id="14" name="maximum x" type="x-plane" />
+    <surface boundary="vacuum" coeffs="-10.0" id="15" name="minimum y" type="y-plane" />
+    <surface boundary="vacuum" coeffs="10.0" id="16" name="maximum y" type="y-plane" />
+    <surface boundary="vacuum" coeffs="-10.0" id="17" name="minimum z" type="z-plane" />
+    <surface boundary="vacuum" coeffs="10.0" id="18" name="maximum z" type="z-plane" />
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>1000</particles>
+    <batches>10</batches>
+    <source strength="1.0">
+      <space origin="0.0 0.0 0.0" type="spherical">
+        <r parameters="0.0 0.0" type="uniform" />
+        <cos_theta type="discrete">
+          <parameters>1.0 1.0</parameters>
+        </cos_theta>
+        <phi type="discrete">
+          <parameters>0.0 1.0</parameters>
+        </phi>
+      </space>
+      <energy type="discrete">
+        <parameters>15000000.0 1.0</parameters>
+      </energy>
+    </source>
+  </settings>
+  <tallies>
+    <mesh id="1">
+      <dimension>10 10 10</dimension>
+      <lower_left>-10.0 -10.0 -10.0</lower_left>
+      <upper_right>10.0 10.0 10.0</upper_right>
+    </mesh>
+    <mesh id="2" library="moab" type="unstructured">
+      <filename>test_mesh_tets.e</filename>
+    </mesh>
+    <filter id="1" type="mesh">
+      <bins>1</bins>
+    </filter>
+    <filter id="2" type="mesh">
+      <bins>2</bins>
+    </filter>
+    <tally id="1" name="regular mesh tally">
+      <filters>1</filters>
+      <scores>flux</scores>
+      <estimator>collision</estimator>
+    </tally>
+    <tally id="2" name="unstructured mesh tally">
+      <filters>2</filters>
+      <scores>flux</scores>
+      <estimator>collision</estimator>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true12.dat b/tests/regression_tests/unstructured_mesh/inputs_true12.dat
index b3673a254..d8def3b5b 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true12.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true12.dat
@@ -1,91 +1,90 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell id="1" material="1" name="fuel" region="1 -2 3 -4 5 -6" universe="1" />
-  <cell id="2" material="2" name="clad" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1" />
-  <cell id="3" material="3" name="water" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1" />
-  <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane" />
-  <surface coeffs="5.0" id="2" name="maximum x" type="x-plane" />
-  <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane" />
-  <surface coeffs="5.0" id="4" name="maximum y" type="y-plane" />
-  <surface coeffs="-5.0" id="5" name="minimum z" type="z-plane" />
-  <surface coeffs="5.0" id="6" name="maximum z" type="z-plane" />
-  <surface coeffs="-6.0" id="7" name="minimum x" type="x-plane" />
-  <surface coeffs="6.0" id="8" name="maximum x" type="x-plane" />
-  <surface coeffs="-6.0" id="9" name="minimum y" type="y-plane" />
-  <surface coeffs="6.0" id="10" name="maximum y" type="y-plane" />
-  <surface coeffs="-6.0" id="11" name="minimum z" type="z-plane" />
-  <surface coeffs="6.0" id="12" name="maximum z" type="z-plane" />
-  <surface boundary="vacuum" coeffs="-15.0" id="13" name="minimum x" type="x-plane" />
-  <surface boundary="vacuum" coeffs="15.0" id="14" name="maximum x" type="x-plane" />
-  <surface boundary="vacuum" coeffs="-15.0" id="15" name="minimum y" type="y-plane" />
-  <surface boundary="vacuum" coeffs="15.0" id="16" name="maximum y" type="y-plane" />
-  <surface boundary="vacuum" coeffs="-15.0" id="17" name="minimum z" type="z-plane" />
-  <surface boundary="vacuum" coeffs="15.0" id="18" name="maximum z" type="z-plane" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-  <material depletable="true" id="1" name="fuel">
-    <density units="g/cc" value="4.5" />
-    <nuclide ao="1.0" name="U235" />
-  </material>
-  <material id="2" name="zircaloy">
-    <density units="g/cc" value="5.77" />
-    <nuclide ao="0.5145" name="Zr90" />
-    <nuclide ao="0.1122" name="Zr91" />
-    <nuclide ao="0.1715" name="Zr92" />
-    <nuclide ao="0.1738" name="Zr94" />
-    <nuclide ao="0.028" name="Zr96" />
-  </material>
-  <material id="3" name="water">
-    <density units="atom/b-cm" value="0.07416" />
-    <nuclide ao="2.0" name="H1" />
-    <nuclide ao="1.0" name="O16" />
-  </material>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>fixed source</run_mode>
-  <particles>1000</particles>
-  <batches>10</batches>
-  <source strength="1.0">
-    <space origin="0.0 0.0 0.0" type="spherical">
-      <r parameters="0.0 0.0" type="uniform" />
-      <cos_theta type="discrete">
-        <parameters>1.0 1.0</parameters>
-      </cos_theta>
-      <phi type="discrete">
-        <parameters>0.0 1.0</parameters>
-      </phi>
-    </space>
-    <energy type="discrete">
-      <parameters>15000000.0 1.0</parameters>
-    </energy>
-  </source>
-</settings>
-<?xml version='1.0' encoding='utf-8'?>
-<tallies>
-  <mesh id="1">
-    <dimension>10 10 10</dimension>
-    <lower_left>-10.0 -10.0 -10.0</lower_left>
-    <upper_right>10.0 10.0 10.0</upper_right>
-  </mesh>
-  <mesh id="2" library="moab" type="unstructured">
-    <filename>test_mesh_tets_w_holes.e</filename>
-  </mesh>
-  <filter id="1" type="mesh">
-    <bins>1</bins>
-  </filter>
-  <filter id="2" type="mesh">
-    <bins>2</bins>
-  </filter>
-  <tally id="1" name="regular mesh tally">
-    <filters>1</filters>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="2" name="unstructured mesh tally">
-    <filters>2</filters>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-</tallies>
+<model>
+  <materials>
+    <material depletable="true" id="1" name="fuel">
+      <density units="g/cc" value="4.5" />
+      <nuclide ao="1.0" name="U235" />
+    </material>
+    <material id="2" name="zircaloy">
+      <density units="g/cc" value="5.77" />
+      <nuclide ao="0.5145" name="Zr90" />
+      <nuclide ao="0.1122" name="Zr91" />
+      <nuclide ao="0.1715" name="Zr92" />
+      <nuclide ao="0.1738" name="Zr94" />
+      <nuclide ao="0.028" name="Zr96" />
+    </material>
+    <material id="3" name="water">
+      <density units="atom/b-cm" value="0.07416" />
+      <nuclide ao="2.0" name="H1" />
+      <nuclide ao="1.0" name="O16" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" name="fuel" region="1 -2 3 -4 5 -6" universe="1" />
+    <cell id="2" material="2" name="clad" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1" />
+    <cell id="3" material="3" name="water" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1" />
+    <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane" />
+    <surface coeffs="5.0" id="2" name="maximum x" type="x-plane" />
+    <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane" />
+    <surface coeffs="5.0" id="4" name="maximum y" type="y-plane" />
+    <surface coeffs="-5.0" id="5" name="minimum z" type="z-plane" />
+    <surface coeffs="5.0" id="6" name="maximum z" type="z-plane" />
+    <surface coeffs="-6.0" id="7" name="minimum x" type="x-plane" />
+    <surface coeffs="6.0" id="8" name="maximum x" type="x-plane" />
+    <surface coeffs="-6.0" id="9" name="minimum y" type="y-plane" />
+    <surface coeffs="6.0" id="10" name="maximum y" type="y-plane" />
+    <surface coeffs="-6.0" id="11" name="minimum z" type="z-plane" />
+    <surface coeffs="6.0" id="12" name="maximum z" type="z-plane" />
+    <surface boundary="vacuum" coeffs="-15.0" id="13" name="minimum x" type="x-plane" />
+    <surface boundary="vacuum" coeffs="15.0" id="14" name="maximum x" type="x-plane" />
+    <surface boundary="vacuum" coeffs="-15.0" id="15" name="minimum y" type="y-plane" />
+    <surface boundary="vacuum" coeffs="15.0" id="16" name="maximum y" type="y-plane" />
+    <surface boundary="vacuum" coeffs="-15.0" id="17" name="minimum z" type="z-plane" />
+    <surface boundary="vacuum" coeffs="15.0" id="18" name="maximum z" type="z-plane" />
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>1000</particles>
+    <batches>10</batches>
+    <source strength="1.0">
+      <space origin="0.0 0.0 0.0" type="spherical">
+        <r parameters="0.0 0.0" type="uniform" />
+        <cos_theta type="discrete">
+          <parameters>1.0 1.0</parameters>
+        </cos_theta>
+        <phi type="discrete">
+          <parameters>0.0 1.0</parameters>
+        </phi>
+      </space>
+      <energy type="discrete">
+        <parameters>15000000.0 1.0</parameters>
+      </energy>
+    </source>
+  </settings>
+  <tallies>
+    <mesh id="1">
+      <dimension>10 10 10</dimension>
+      <lower_left>-10.0 -10.0 -10.0</lower_left>
+      <upper_right>10.0 10.0 10.0</upper_right>
+    </mesh>
+    <mesh id="2" library="moab" type="unstructured">
+      <filename>test_mesh_tets_w_holes.e</filename>
+    </mesh>
+    <filter id="1" type="mesh">
+      <bins>1</bins>
+    </filter>
+    <filter id="2" type="mesh">
+      <bins>2</bins>
+    </filter>
+    <tally id="1" name="regular mesh tally">
+      <filters>1</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="2" name="unstructured mesh tally">
+      <filters>2</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true13.dat b/tests/regression_tests/unstructured_mesh/inputs_true13.dat
index c466396b6..3afb0ce50 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true13.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true13.dat
@@ -1,91 +1,90 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell id="1" material="1" name="fuel" region="1 -2 3 -4 5 -6" universe="1" />
-  <cell id="2" material="2" name="clad" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1" />
-  <cell id="3" material="3" name="water" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1" />
-  <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane" />
-  <surface coeffs="5.0" id="2" name="maximum x" type="x-plane" />
-  <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane" />
-  <surface coeffs="5.0" id="4" name="maximum y" type="y-plane" />
-  <surface coeffs="-5.0" id="5" name="minimum z" type="z-plane" />
-  <surface coeffs="5.0" id="6" name="maximum z" type="z-plane" />
-  <surface coeffs="-6.0" id="7" name="minimum x" type="x-plane" />
-  <surface coeffs="6.0" id="8" name="maximum x" type="x-plane" />
-  <surface coeffs="-6.0" id="9" name="minimum y" type="y-plane" />
-  <surface coeffs="6.0" id="10" name="maximum y" type="y-plane" />
-  <surface coeffs="-6.0" id="11" name="minimum z" type="z-plane" />
-  <surface coeffs="6.0" id="12" name="maximum z" type="z-plane" />
-  <surface boundary="vacuum" coeffs="-15.0" id="13" name="minimum x" type="x-plane" />
-  <surface boundary="vacuum" coeffs="15.0" id="14" name="maximum x" type="x-plane" />
-  <surface boundary="vacuum" coeffs="-15.0" id="15" name="minimum y" type="y-plane" />
-  <surface boundary="vacuum" coeffs="15.0" id="16" name="maximum y" type="y-plane" />
-  <surface boundary="vacuum" coeffs="-15.0" id="17" name="minimum z" type="z-plane" />
-  <surface boundary="vacuum" coeffs="15.0" id="18" name="maximum z" type="z-plane" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-  <material depletable="true" id="1" name="fuel">
-    <density units="g/cc" value="4.5" />
-    <nuclide ao="1.0" name="U235" />
-  </material>
-  <material id="2" name="zircaloy">
-    <density units="g/cc" value="5.77" />
-    <nuclide ao="0.5145" name="Zr90" />
-    <nuclide ao="0.1122" name="Zr91" />
-    <nuclide ao="0.1715" name="Zr92" />
-    <nuclide ao="0.1738" name="Zr94" />
-    <nuclide ao="0.028" name="Zr96" />
-  </material>
-  <material id="3" name="water">
-    <density units="atom/b-cm" value="0.07416" />
-    <nuclide ao="2.0" name="H1" />
-    <nuclide ao="1.0" name="O16" />
-  </material>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>fixed source</run_mode>
-  <particles>1000</particles>
-  <batches>10</batches>
-  <source strength="1.0">
-    <space origin="0.0 0.0 0.0" type="spherical">
-      <r parameters="0.0 0.0" type="uniform" />
-      <cos_theta type="discrete">
-        <parameters>1.0 1.0</parameters>
-      </cos_theta>
-      <phi type="discrete">
-        <parameters>0.0 1.0</parameters>
-      </phi>
-    </space>
-    <energy type="discrete">
-      <parameters>15000000.0 1.0</parameters>
-    </energy>
-  </source>
-</settings>
-<?xml version='1.0' encoding='utf-8'?>
-<tallies>
-  <mesh id="1">
-    <dimension>10 10 10</dimension>
-    <lower_left>-10.0 -10.0 -10.0</lower_left>
-    <upper_right>10.0 10.0 10.0</upper_right>
-  </mesh>
-  <mesh id="2" library="moab" type="unstructured">
-    <filename>test_mesh_tets.e</filename>
-  </mesh>
-  <filter id="1" type="mesh">
-    <bins>1</bins>
-  </filter>
-  <filter id="2" type="mesh">
-    <bins>2</bins>
-  </filter>
-  <tally id="1" name="regular mesh tally">
-    <filters>1</filters>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="2" name="unstructured mesh tally">
-    <filters>2</filters>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-</tallies>
+<model>
+  <materials>
+    <material depletable="true" id="1" name="fuel">
+      <density units="g/cc" value="4.5" />
+      <nuclide ao="1.0" name="U235" />
+    </material>
+    <material id="2" name="zircaloy">
+      <density units="g/cc" value="5.77" />
+      <nuclide ao="0.5145" name="Zr90" />
+      <nuclide ao="0.1122" name="Zr91" />
+      <nuclide ao="0.1715" name="Zr92" />
+      <nuclide ao="0.1738" name="Zr94" />
+      <nuclide ao="0.028" name="Zr96" />
+    </material>
+    <material id="3" name="water">
+      <density units="atom/b-cm" value="0.07416" />
+      <nuclide ao="2.0" name="H1" />
+      <nuclide ao="1.0" name="O16" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" name="fuel" region="1 -2 3 -4 5 -6" universe="1" />
+    <cell id="2" material="2" name="clad" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1" />
+    <cell id="3" material="3" name="water" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1" />
+    <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane" />
+    <surface coeffs="5.0" id="2" name="maximum x" type="x-plane" />
+    <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane" />
+    <surface coeffs="5.0" id="4" name="maximum y" type="y-plane" />
+    <surface coeffs="-5.0" id="5" name="minimum z" type="z-plane" />
+    <surface coeffs="5.0" id="6" name="maximum z" type="z-plane" />
+    <surface coeffs="-6.0" id="7" name="minimum x" type="x-plane" />
+    <surface coeffs="6.0" id="8" name="maximum x" type="x-plane" />
+    <surface coeffs="-6.0" id="9" name="minimum y" type="y-plane" />
+    <surface coeffs="6.0" id="10" name="maximum y" type="y-plane" />
+    <surface coeffs="-6.0" id="11" name="minimum z" type="z-plane" />
+    <surface coeffs="6.0" id="12" name="maximum z" type="z-plane" />
+    <surface boundary="vacuum" coeffs="-15.0" id="13" name="minimum x" type="x-plane" />
+    <surface boundary="vacuum" coeffs="15.0" id="14" name="maximum x" type="x-plane" />
+    <surface boundary="vacuum" coeffs="-15.0" id="15" name="minimum y" type="y-plane" />
+    <surface boundary="vacuum" coeffs="15.0" id="16" name="maximum y" type="y-plane" />
+    <surface boundary="vacuum" coeffs="-15.0" id="17" name="minimum z" type="z-plane" />
+    <surface boundary="vacuum" coeffs="15.0" id="18" name="maximum z" type="z-plane" />
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>1000</particles>
+    <batches>10</batches>
+    <source strength="1.0">
+      <space origin="0.0 0.0 0.0" type="spherical">
+        <r parameters="0.0 0.0" type="uniform" />
+        <cos_theta type="discrete">
+          <parameters>1.0 1.0</parameters>
+        </cos_theta>
+        <phi type="discrete">
+          <parameters>0.0 1.0</parameters>
+        </phi>
+      </space>
+      <energy type="discrete">
+        <parameters>15000000.0 1.0</parameters>
+      </energy>
+    </source>
+  </settings>
+  <tallies>
+    <mesh id="1">
+      <dimension>10 10 10</dimension>
+      <lower_left>-10.0 -10.0 -10.0</lower_left>
+      <upper_right>10.0 10.0 10.0</upper_right>
+    </mesh>
+    <mesh id="2" library="moab" type="unstructured">
+      <filename>test_mesh_tets.e</filename>
+    </mesh>
+    <filter id="1" type="mesh">
+      <bins>1</bins>
+    </filter>
+    <filter id="2" type="mesh">
+      <bins>2</bins>
+    </filter>
+    <tally id="1" name="regular mesh tally">
+      <filters>1</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="2" name="unstructured mesh tally">
+      <filters>2</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true14.dat b/tests/regression_tests/unstructured_mesh/inputs_true14.dat
index 8c6a5120a..b7de468ea 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true14.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true14.dat
@@ -1,91 +1,90 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell id="1" material="1" name="fuel" region="1 -2 3 -4 5 -6" universe="1" />
-  <cell id="2" material="2" name="clad" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1" />
-  <cell id="3" material="3" name="water" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1" />
-  <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane" />
-  <surface coeffs="5.0" id="2" name="maximum x" type="x-plane" />
-  <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane" />
-  <surface coeffs="5.0" id="4" name="maximum y" type="y-plane" />
-  <surface coeffs="-5.0" id="5" name="minimum z" type="z-plane" />
-  <surface coeffs="5.0" id="6" name="maximum z" type="z-plane" />
-  <surface coeffs="-6.0" id="7" name="minimum x" type="x-plane" />
-  <surface coeffs="6.0" id="8" name="maximum x" type="x-plane" />
-  <surface coeffs="-6.0" id="9" name="minimum y" type="y-plane" />
-  <surface coeffs="6.0" id="10" name="maximum y" type="y-plane" />
-  <surface coeffs="-6.0" id="11" name="minimum z" type="z-plane" />
-  <surface coeffs="6.0" id="12" name="maximum z" type="z-plane" />
-  <surface boundary="vacuum" coeffs="-10.0" id="13" name="minimum x" type="x-plane" />
-  <surface boundary="vacuum" coeffs="10.0" id="14" name="maximum x" type="x-plane" />
-  <surface boundary="vacuum" coeffs="-10.0" id="15" name="minimum y" type="y-plane" />
-  <surface boundary="vacuum" coeffs="10.0" id="16" name="maximum y" type="y-plane" />
-  <surface boundary="vacuum" coeffs="-10.0" id="17" name="minimum z" type="z-plane" />
-  <surface boundary="vacuum" coeffs="10.0" id="18" name="maximum z" type="z-plane" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-  <material depletable="true" id="1" name="fuel">
-    <density units="g/cc" value="4.5" />
-    <nuclide ao="1.0" name="U235" />
-  </material>
-  <material id="2" name="zircaloy">
-    <density units="g/cc" value="5.77" />
-    <nuclide ao="0.5145" name="Zr90" />
-    <nuclide ao="0.1122" name="Zr91" />
-    <nuclide ao="0.1715" name="Zr92" />
-    <nuclide ao="0.1738" name="Zr94" />
-    <nuclide ao="0.028" name="Zr96" />
-  </material>
-  <material id="3" name="water">
-    <density units="atom/b-cm" value="0.07416" />
-    <nuclide ao="2.0" name="H1" />
-    <nuclide ao="1.0" name="O16" />
-  </material>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>fixed source</run_mode>
-  <particles>1000</particles>
-  <batches>10</batches>
-  <source strength="1.0">
-    <space origin="0.0 0.0 0.0" type="spherical">
-      <r parameters="0.0 0.0" type="uniform" />
-      <cos_theta type="discrete">
-        <parameters>1.0 1.0</parameters>
-      </cos_theta>
-      <phi type="discrete">
-        <parameters>0.0 1.0</parameters>
-      </phi>
-    </space>
-    <energy type="discrete">
-      <parameters>15000000.0 1.0</parameters>
-    </energy>
-  </source>
-</settings>
-<?xml version='1.0' encoding='utf-8'?>
-<tallies>
-  <mesh id="1">
-    <dimension>10 10 10</dimension>
-    <lower_left>-10.0 -10.0 -10.0</lower_left>
-    <upper_right>10.0 10.0 10.0</upper_right>
-  </mesh>
-  <mesh id="2" library="moab" type="unstructured">
-    <filename>test_mesh_tets_w_holes.e</filename>
-  </mesh>
-  <filter id="1" type="mesh">
-    <bins>1</bins>
-  </filter>
-  <filter id="2" type="mesh">
-    <bins>2</bins>
-  </filter>
-  <tally id="1" name="regular mesh tally">
-    <filters>1</filters>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="2" name="unstructured mesh tally">
-    <filters>2</filters>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-</tallies>
+<model>
+  <materials>
+    <material depletable="true" id="1" name="fuel">
+      <density units="g/cc" value="4.5" />
+      <nuclide ao="1.0" name="U235" />
+    </material>
+    <material id="2" name="zircaloy">
+      <density units="g/cc" value="5.77" />
+      <nuclide ao="0.5145" name="Zr90" />
+      <nuclide ao="0.1122" name="Zr91" />
+      <nuclide ao="0.1715" name="Zr92" />
+      <nuclide ao="0.1738" name="Zr94" />
+      <nuclide ao="0.028" name="Zr96" />
+    </material>
+    <material id="3" name="water">
+      <density units="atom/b-cm" value="0.07416" />
+      <nuclide ao="2.0" name="H1" />
+      <nuclide ao="1.0" name="O16" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" name="fuel" region="1 -2 3 -4 5 -6" universe="1" />
+    <cell id="2" material="2" name="clad" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1" />
+    <cell id="3" material="3" name="water" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1" />
+    <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane" />
+    <surface coeffs="5.0" id="2" name="maximum x" type="x-plane" />
+    <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane" />
+    <surface coeffs="5.0" id="4" name="maximum y" type="y-plane" />
+    <surface coeffs="-5.0" id="5" name="minimum z" type="z-plane" />
+    <surface coeffs="5.0" id="6" name="maximum z" type="z-plane" />
+    <surface coeffs="-6.0" id="7" name="minimum x" type="x-plane" />
+    <surface coeffs="6.0" id="8" name="maximum x" type="x-plane" />
+    <surface coeffs="-6.0" id="9" name="minimum y" type="y-plane" />
+    <surface coeffs="6.0" id="10" name="maximum y" type="y-plane" />
+    <surface coeffs="-6.0" id="11" name="minimum z" type="z-plane" />
+    <surface coeffs="6.0" id="12" name="maximum z" type="z-plane" />
+    <surface boundary="vacuum" coeffs="-10.0" id="13" name="minimum x" type="x-plane" />
+    <surface boundary="vacuum" coeffs="10.0" id="14" name="maximum x" type="x-plane" />
+    <surface boundary="vacuum" coeffs="-10.0" id="15" name="minimum y" type="y-plane" />
+    <surface boundary="vacuum" coeffs="10.0" id="16" name="maximum y" type="y-plane" />
+    <surface boundary="vacuum" coeffs="-10.0" id="17" name="minimum z" type="z-plane" />
+    <surface boundary="vacuum" coeffs="10.0" id="18" name="maximum z" type="z-plane" />
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>1000</particles>
+    <batches>10</batches>
+    <source strength="1.0">
+      <space origin="0.0 0.0 0.0" type="spherical">
+        <r parameters="0.0 0.0" type="uniform" />
+        <cos_theta type="discrete">
+          <parameters>1.0 1.0</parameters>
+        </cos_theta>
+        <phi type="discrete">
+          <parameters>0.0 1.0</parameters>
+        </phi>
+      </space>
+      <energy type="discrete">
+        <parameters>15000000.0 1.0</parameters>
+      </energy>
+    </source>
+  </settings>
+  <tallies>
+    <mesh id="1">
+      <dimension>10 10 10</dimension>
+      <lower_left>-10.0 -10.0 -10.0</lower_left>
+      <upper_right>10.0 10.0 10.0</upper_right>
+    </mesh>
+    <mesh id="2" library="moab" type="unstructured">
+      <filename>test_mesh_tets_w_holes.e</filename>
+    </mesh>
+    <filter id="1" type="mesh">
+      <bins>1</bins>
+    </filter>
+    <filter id="2" type="mesh">
+      <bins>2</bins>
+    </filter>
+    <tally id="1" name="regular mesh tally">
+      <filters>1</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="2" name="unstructured mesh tally">
+      <filters>2</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true15.dat b/tests/regression_tests/unstructured_mesh/inputs_true15.dat
index 1b9abbd83..bdb1dd037 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true15.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true15.dat
@@ -1,91 +1,90 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell id="1" material="1" name="fuel" region="1 -2 3 -4 5 -6" universe="1" />
-  <cell id="2" material="2" name="clad" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1" />
-  <cell id="3" material="3" name="water" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1" />
-  <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane" />
-  <surface coeffs="5.0" id="2" name="maximum x" type="x-plane" />
-  <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane" />
-  <surface coeffs="5.0" id="4" name="maximum y" type="y-plane" />
-  <surface coeffs="-5.0" id="5" name="minimum z" type="z-plane" />
-  <surface coeffs="5.0" id="6" name="maximum z" type="z-plane" />
-  <surface coeffs="-6.0" id="7" name="minimum x" type="x-plane" />
-  <surface coeffs="6.0" id="8" name="maximum x" type="x-plane" />
-  <surface coeffs="-6.0" id="9" name="minimum y" type="y-plane" />
-  <surface coeffs="6.0" id="10" name="maximum y" type="y-plane" />
-  <surface coeffs="-6.0" id="11" name="minimum z" type="z-plane" />
-  <surface coeffs="6.0" id="12" name="maximum z" type="z-plane" />
-  <surface boundary="vacuum" coeffs="-10.0" id="13" name="minimum x" type="x-plane" />
-  <surface boundary="vacuum" coeffs="10.0" id="14" name="maximum x" type="x-plane" />
-  <surface boundary="vacuum" coeffs="-10.0" id="15" name="minimum y" type="y-plane" />
-  <surface boundary="vacuum" coeffs="10.0" id="16" name="maximum y" type="y-plane" />
-  <surface boundary="vacuum" coeffs="-10.0" id="17" name="minimum z" type="z-plane" />
-  <surface boundary="vacuum" coeffs="10.0" id="18" name="maximum z" type="z-plane" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-  <material depletable="true" id="1" name="fuel">
-    <density units="g/cc" value="4.5" />
-    <nuclide ao="1.0" name="U235" />
-  </material>
-  <material id="2" name="zircaloy">
-    <density units="g/cc" value="5.77" />
-    <nuclide ao="0.5145" name="Zr90" />
-    <nuclide ao="0.1122" name="Zr91" />
-    <nuclide ao="0.1715" name="Zr92" />
-    <nuclide ao="0.1738" name="Zr94" />
-    <nuclide ao="0.028" name="Zr96" />
-  </material>
-  <material id="3" name="water">
-    <density units="atom/b-cm" value="0.07416" />
-    <nuclide ao="2.0" name="H1" />
-    <nuclide ao="1.0" name="O16" />
-  </material>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>fixed source</run_mode>
-  <particles>1000</particles>
-  <batches>10</batches>
-  <source strength="1.0">
-    <space origin="0.0 0.0 0.0" type="spherical">
-      <r parameters="0.0 0.0" type="uniform" />
-      <cos_theta type="discrete">
-        <parameters>1.0 1.0</parameters>
-      </cos_theta>
-      <phi type="discrete">
-        <parameters>0.0 1.0</parameters>
-      </phi>
-    </space>
-    <energy type="discrete">
-      <parameters>15000000.0 1.0</parameters>
-    </energy>
-  </source>
-</settings>
-<?xml version='1.0' encoding='utf-8'?>
-<tallies>
-  <mesh id="1">
-    <dimension>10 10 10</dimension>
-    <lower_left>-10.0 -10.0 -10.0</lower_left>
-    <upper_right>10.0 10.0 10.0</upper_right>
-  </mesh>
-  <mesh id="2" library="moab" type="unstructured">
-    <filename>test_mesh_tets.e</filename>
-  </mesh>
-  <filter id="1" type="mesh">
-    <bins>1</bins>
-  </filter>
-  <filter id="2" type="mesh">
-    <bins>2</bins>
-  </filter>
-  <tally id="1" name="regular mesh tally">
-    <filters>1</filters>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="2" name="unstructured mesh tally">
-    <filters>2</filters>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-</tallies>
+<model>
+  <materials>
+    <material depletable="true" id="1" name="fuel">
+      <density units="g/cc" value="4.5" />
+      <nuclide ao="1.0" name="U235" />
+    </material>
+    <material id="2" name="zircaloy">
+      <density units="g/cc" value="5.77" />
+      <nuclide ao="0.5145" name="Zr90" />
+      <nuclide ao="0.1122" name="Zr91" />
+      <nuclide ao="0.1715" name="Zr92" />
+      <nuclide ao="0.1738" name="Zr94" />
+      <nuclide ao="0.028" name="Zr96" />
+    </material>
+    <material id="3" name="water">
+      <density units="atom/b-cm" value="0.07416" />
+      <nuclide ao="2.0" name="H1" />
+      <nuclide ao="1.0" name="O16" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" name="fuel" region="1 -2 3 -4 5 -6" universe="1" />
+    <cell id="2" material="2" name="clad" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1" />
+    <cell id="3" material="3" name="water" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1" />
+    <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane" />
+    <surface coeffs="5.0" id="2" name="maximum x" type="x-plane" />
+    <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane" />
+    <surface coeffs="5.0" id="4" name="maximum y" type="y-plane" />
+    <surface coeffs="-5.0" id="5" name="minimum z" type="z-plane" />
+    <surface coeffs="5.0" id="6" name="maximum z" type="z-plane" />
+    <surface coeffs="-6.0" id="7" name="minimum x" type="x-plane" />
+    <surface coeffs="6.0" id="8" name="maximum x" type="x-plane" />
+    <surface coeffs="-6.0" id="9" name="minimum y" type="y-plane" />
+    <surface coeffs="6.0" id="10" name="maximum y" type="y-plane" />
+    <surface coeffs="-6.0" id="11" name="minimum z" type="z-plane" />
+    <surface coeffs="6.0" id="12" name="maximum z" type="z-plane" />
+    <surface boundary="vacuum" coeffs="-10.0" id="13" name="minimum x" type="x-plane" />
+    <surface boundary="vacuum" coeffs="10.0" id="14" name="maximum x" type="x-plane" />
+    <surface boundary="vacuum" coeffs="-10.0" id="15" name="minimum y" type="y-plane" />
+    <surface boundary="vacuum" coeffs="10.0" id="16" name="maximum y" type="y-plane" />
+    <surface boundary="vacuum" coeffs="-10.0" id="17" name="minimum z" type="z-plane" />
+    <surface boundary="vacuum" coeffs="10.0" id="18" name="maximum z" type="z-plane" />
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>1000</particles>
+    <batches>10</batches>
+    <source strength="1.0">
+      <space origin="0.0 0.0 0.0" type="spherical">
+        <r parameters="0.0 0.0" type="uniform" />
+        <cos_theta type="discrete">
+          <parameters>1.0 1.0</parameters>
+        </cos_theta>
+        <phi type="discrete">
+          <parameters>0.0 1.0</parameters>
+        </phi>
+      </space>
+      <energy type="discrete">
+        <parameters>15000000.0 1.0</parameters>
+      </energy>
+    </source>
+  </settings>
+  <tallies>
+    <mesh id="1">
+      <dimension>10 10 10</dimension>
+      <lower_left>-10.0 -10.0 -10.0</lower_left>
+      <upper_right>10.0 10.0 10.0</upper_right>
+    </mesh>
+    <mesh id="2" library="moab" type="unstructured">
+      <filename>test_mesh_tets.e</filename>
+    </mesh>
+    <filter id="1" type="mesh">
+      <bins>1</bins>
+    </filter>
+    <filter id="2" type="mesh">
+      <bins>2</bins>
+    </filter>
+    <tally id="1" name="regular mesh tally">
+      <filters>1</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="2" name="unstructured mesh tally">
+      <filters>2</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true2.dat b/tests/regression_tests/unstructured_mesh/inputs_true2.dat
index 7136d485a..b2a998786 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true2.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true2.dat
@@ -1,91 +1,90 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell id="1" material="1" name="fuel" region="1 -2 3 -4 5 -6" universe="1" />
-  <cell id="2" material="2" name="clad" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1" />
-  <cell id="3" material="3" name="water" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1" />
-  <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane" />
-  <surface coeffs="5.0" id="2" name="maximum x" type="x-plane" />
-  <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane" />
-  <surface coeffs="5.0" id="4" name="maximum y" type="y-plane" />
-  <surface coeffs="-5.0" id="5" name="minimum z" type="z-plane" />
-  <surface coeffs="5.0" id="6" name="maximum z" type="z-plane" />
-  <surface coeffs="-6.0" id="7" name="minimum x" type="x-plane" />
-  <surface coeffs="6.0" id="8" name="maximum x" type="x-plane" />
-  <surface coeffs="-6.0" id="9" name="minimum y" type="y-plane" />
-  <surface coeffs="6.0" id="10" name="maximum y" type="y-plane" />
-  <surface coeffs="-6.0" id="11" name="minimum z" type="z-plane" />
-  <surface coeffs="6.0" id="12" name="maximum z" type="z-plane" />
-  <surface boundary="vacuum" coeffs="-10.0" id="13" name="minimum x" type="x-plane" />
-  <surface boundary="vacuum" coeffs="10.0" id="14" name="maximum x" type="x-plane" />
-  <surface boundary="vacuum" coeffs="-10.0" id="15" name="minimum y" type="y-plane" />
-  <surface boundary="vacuum" coeffs="10.0" id="16" name="maximum y" type="y-plane" />
-  <surface boundary="vacuum" coeffs="-10.0" id="17" name="minimum z" type="z-plane" />
-  <surface boundary="vacuum" coeffs="10.0" id="18" name="maximum z" type="z-plane" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-  <material depletable="true" id="1" name="fuel">
-    <density units="g/cc" value="4.5" />
-    <nuclide ao="1.0" name="U235" />
-  </material>
-  <material id="2" name="zircaloy">
-    <density units="g/cc" value="5.77" />
-    <nuclide ao="0.5145" name="Zr90" />
-    <nuclide ao="0.1122" name="Zr91" />
-    <nuclide ao="0.1715" name="Zr92" />
-    <nuclide ao="0.1738" name="Zr94" />
-    <nuclide ao="0.028" name="Zr96" />
-  </material>
-  <material id="3" name="water">
-    <density units="atom/b-cm" value="0.07416" />
-    <nuclide ao="2.0" name="H1" />
-    <nuclide ao="1.0" name="O16" />
-  </material>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>fixed source</run_mode>
-  <particles>1000</particles>
-  <batches>10</batches>
-  <source strength="1.0">
-    <space origin="0.0 0.0 0.0" type="spherical">
-      <r parameters="0.0 0.0" type="uniform" />
-      <cos_theta type="discrete">
-        <parameters>1.0 1.0</parameters>
-      </cos_theta>
-      <phi type="discrete">
-        <parameters>0.0 1.0</parameters>
-      </phi>
-    </space>
-    <energy type="discrete">
-      <parameters>15000000.0 1.0</parameters>
-    </energy>
-  </source>
-</settings>
-<?xml version='1.0' encoding='utf-8'?>
-<tallies>
-  <mesh id="1">
-    <dimension>10 10 10</dimension>
-    <lower_left>-10.0 -10.0 -10.0</lower_left>
-    <upper_right>10.0 10.0 10.0</upper_right>
-  </mesh>
-  <mesh id="2" library="libmesh" type="unstructured">
-    <filename>test_mesh_tets_w_holes.e</filename>
-  </mesh>
-  <filter id="1" type="mesh">
-    <bins>1</bins>
-  </filter>
-  <filter id="2" type="mesh">
-    <bins>2</bins>
-  </filter>
-  <tally id="1" name="regular mesh tally">
-    <filters>1</filters>
-    <scores>flux</scores>
-    <estimator>collision</estimator>
-  </tally>
-  <tally id="2" name="unstructured mesh tally">
-    <filters>2</filters>
-    <scores>flux</scores>
-    <estimator>collision</estimator>
-  </tally>
-</tallies>
+<model>
+  <materials>
+    <material depletable="true" id="1" name="fuel">
+      <density units="g/cc" value="4.5" />
+      <nuclide ao="1.0" name="U235" />
+    </material>
+    <material id="2" name="zircaloy">
+      <density units="g/cc" value="5.77" />
+      <nuclide ao="0.5145" name="Zr90" />
+      <nuclide ao="0.1122" name="Zr91" />
+      <nuclide ao="0.1715" name="Zr92" />
+      <nuclide ao="0.1738" name="Zr94" />
+      <nuclide ao="0.028" name="Zr96" />
+    </material>
+    <material id="3" name="water">
+      <density units="atom/b-cm" value="0.07416" />
+      <nuclide ao="2.0" name="H1" />
+      <nuclide ao="1.0" name="O16" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" name="fuel" region="1 -2 3 -4 5 -6" universe="1" />
+    <cell id="2" material="2" name="clad" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1" />
+    <cell id="3" material="3" name="water" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1" />
+    <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane" />
+    <surface coeffs="5.0" id="2" name="maximum x" type="x-plane" />
+    <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane" />
+    <surface coeffs="5.0" id="4" name="maximum y" type="y-plane" />
+    <surface coeffs="-5.0" id="5" name="minimum z" type="z-plane" />
+    <surface coeffs="5.0" id="6" name="maximum z" type="z-plane" />
+    <surface coeffs="-6.0" id="7" name="minimum x" type="x-plane" />
+    <surface coeffs="6.0" id="8" name="maximum x" type="x-plane" />
+    <surface coeffs="-6.0" id="9" name="minimum y" type="y-plane" />
+    <surface coeffs="6.0" id="10" name="maximum y" type="y-plane" />
+    <surface coeffs="-6.0" id="11" name="minimum z" type="z-plane" />
+    <surface coeffs="6.0" id="12" name="maximum z" type="z-plane" />
+    <surface boundary="vacuum" coeffs="-10.0" id="13" name="minimum x" type="x-plane" />
+    <surface boundary="vacuum" coeffs="10.0" id="14" name="maximum x" type="x-plane" />
+    <surface boundary="vacuum" coeffs="-10.0" id="15" name="minimum y" type="y-plane" />
+    <surface boundary="vacuum" coeffs="10.0" id="16" name="maximum y" type="y-plane" />
+    <surface boundary="vacuum" coeffs="-10.0" id="17" name="minimum z" type="z-plane" />
+    <surface boundary="vacuum" coeffs="10.0" id="18" name="maximum z" type="z-plane" />
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>1000</particles>
+    <batches>10</batches>
+    <source strength="1.0">
+      <space origin="0.0 0.0 0.0" type="spherical">
+        <r parameters="0.0 0.0" type="uniform" />
+        <cos_theta type="discrete">
+          <parameters>1.0 1.0</parameters>
+        </cos_theta>
+        <phi type="discrete">
+          <parameters>0.0 1.0</parameters>
+        </phi>
+      </space>
+      <energy type="discrete">
+        <parameters>15000000.0 1.0</parameters>
+      </energy>
+    </source>
+  </settings>
+  <tallies>
+    <mesh id="1">
+      <dimension>10 10 10</dimension>
+      <lower_left>-10.0 -10.0 -10.0</lower_left>
+      <upper_right>10.0 10.0 10.0</upper_right>
+    </mesh>
+    <mesh id="2" library="libmesh" type="unstructured">
+      <filename>test_mesh_tets_w_holes.e</filename>
+    </mesh>
+    <filter id="1" type="mesh">
+      <bins>1</bins>
+    </filter>
+    <filter id="2" type="mesh">
+      <bins>2</bins>
+    </filter>
+    <tally id="1" name="regular mesh tally">
+      <filters>1</filters>
+      <scores>flux</scores>
+      <estimator>collision</estimator>
+    </tally>
+    <tally id="2" name="unstructured mesh tally">
+      <filters>2</filters>
+      <scores>flux</scores>
+      <estimator>collision</estimator>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true3.dat b/tests/regression_tests/unstructured_mesh/inputs_true3.dat
index 23900a060..4a66dc2a6 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true3.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true3.dat
@@ -1,91 +1,90 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell id="1" material="1" name="fuel" region="1 -2 3 -4 5 -6" universe="1" />
-  <cell id="2" material="2" name="clad" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1" />
-  <cell id="3" material="3" name="water" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1" />
-  <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane" />
-  <surface coeffs="5.0" id="2" name="maximum x" type="x-plane" />
-  <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane" />
-  <surface coeffs="5.0" id="4" name="maximum y" type="y-plane" />
-  <surface coeffs="-5.0" id="5" name="minimum z" type="z-plane" />
-  <surface coeffs="5.0" id="6" name="maximum z" type="z-plane" />
-  <surface coeffs="-6.0" id="7" name="minimum x" type="x-plane" />
-  <surface coeffs="6.0" id="8" name="maximum x" type="x-plane" />
-  <surface coeffs="-6.0" id="9" name="minimum y" type="y-plane" />
-  <surface coeffs="6.0" id="10" name="maximum y" type="y-plane" />
-  <surface coeffs="-6.0" id="11" name="minimum z" type="z-plane" />
-  <surface coeffs="6.0" id="12" name="maximum z" type="z-plane" />
-  <surface boundary="vacuum" coeffs="-10.0" id="13" name="minimum x" type="x-plane" />
-  <surface boundary="vacuum" coeffs="10.0" id="14" name="maximum x" type="x-plane" />
-  <surface boundary="vacuum" coeffs="-10.0" id="15" name="minimum y" type="y-plane" />
-  <surface boundary="vacuum" coeffs="10.0" id="16" name="maximum y" type="y-plane" />
-  <surface boundary="vacuum" coeffs="-10.0" id="17" name="minimum z" type="z-plane" />
-  <surface boundary="vacuum" coeffs="10.0" id="18" name="maximum z" type="z-plane" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-  <material depletable="true" id="1" name="fuel">
-    <density units="g/cc" value="4.5" />
-    <nuclide ao="1.0" name="U235" />
-  </material>
-  <material id="2" name="zircaloy">
-    <density units="g/cc" value="5.77" />
-    <nuclide ao="0.5145" name="Zr90" />
-    <nuclide ao="0.1122" name="Zr91" />
-    <nuclide ao="0.1715" name="Zr92" />
-    <nuclide ao="0.1738" name="Zr94" />
-    <nuclide ao="0.028" name="Zr96" />
-  </material>
-  <material id="3" name="water">
-    <density units="atom/b-cm" value="0.07416" />
-    <nuclide ao="2.0" name="H1" />
-    <nuclide ao="1.0" name="O16" />
-  </material>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>fixed source</run_mode>
-  <particles>1000</particles>
-  <batches>10</batches>
-  <source strength="1.0">
-    <space origin="0.0 0.0 0.0" type="spherical">
-      <r parameters="0.0 0.0" type="uniform" />
-      <cos_theta type="discrete">
-        <parameters>1.0 1.0</parameters>
-      </cos_theta>
-      <phi type="discrete">
-        <parameters>0.0 1.0</parameters>
-      </phi>
-    </space>
-    <energy type="discrete">
-      <parameters>15000000.0 1.0</parameters>
-    </energy>
-  </source>
-</settings>
-<?xml version='1.0' encoding='utf-8'?>
-<tallies>
-  <mesh id="1">
-    <dimension>10 10 10</dimension>
-    <lower_left>-10.0 -10.0 -10.0</lower_left>
-    <upper_right>10.0 10.0 10.0</upper_right>
-  </mesh>
-  <mesh id="2" library="libmesh" type="unstructured">
-    <filename>test_mesh_tets.e</filename>
-  </mesh>
-  <filter id="1" type="mesh">
-    <bins>1</bins>
-  </filter>
-  <filter id="2" type="mesh">
-    <bins>2</bins>
-  </filter>
-  <tally id="1" name="regular mesh tally">
-    <filters>1</filters>
-    <scores>flux</scores>
-    <estimator>collision</estimator>
-  </tally>
-  <tally id="2" name="unstructured mesh tally">
-    <filters>2</filters>
-    <scores>flux</scores>
-    <estimator>collision</estimator>
-  </tally>
-</tallies>
+<model>
+  <materials>
+    <material depletable="true" id="1" name="fuel">
+      <density units="g/cc" value="4.5" />
+      <nuclide ao="1.0" name="U235" />
+    </material>
+    <material id="2" name="zircaloy">
+      <density units="g/cc" value="5.77" />
+      <nuclide ao="0.5145" name="Zr90" />
+      <nuclide ao="0.1122" name="Zr91" />
+      <nuclide ao="0.1715" name="Zr92" />
+      <nuclide ao="0.1738" name="Zr94" />
+      <nuclide ao="0.028" name="Zr96" />
+    </material>
+    <material id="3" name="water">
+      <density units="atom/b-cm" value="0.07416" />
+      <nuclide ao="2.0" name="H1" />
+      <nuclide ao="1.0" name="O16" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" name="fuel" region="1 -2 3 -4 5 -6" universe="1" />
+    <cell id="2" material="2" name="clad" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1" />
+    <cell id="3" material="3" name="water" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1" />
+    <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane" />
+    <surface coeffs="5.0" id="2" name="maximum x" type="x-plane" />
+    <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane" />
+    <surface coeffs="5.0" id="4" name="maximum y" type="y-plane" />
+    <surface coeffs="-5.0" id="5" name="minimum z" type="z-plane" />
+    <surface coeffs="5.0" id="6" name="maximum z" type="z-plane" />
+    <surface coeffs="-6.0" id="7" name="minimum x" type="x-plane" />
+    <surface coeffs="6.0" id="8" name="maximum x" type="x-plane" />
+    <surface coeffs="-6.0" id="9" name="minimum y" type="y-plane" />
+    <surface coeffs="6.0" id="10" name="maximum y" type="y-plane" />
+    <surface coeffs="-6.0" id="11" name="minimum z" type="z-plane" />
+    <surface coeffs="6.0" id="12" name="maximum z" type="z-plane" />
+    <surface boundary="vacuum" coeffs="-10.0" id="13" name="minimum x" type="x-plane" />
+    <surface boundary="vacuum" coeffs="10.0" id="14" name="maximum x" type="x-plane" />
+    <surface boundary="vacuum" coeffs="-10.0" id="15" name="minimum y" type="y-plane" />
+    <surface boundary="vacuum" coeffs="10.0" id="16" name="maximum y" type="y-plane" />
+    <surface boundary="vacuum" coeffs="-10.0" id="17" name="minimum z" type="z-plane" />
+    <surface boundary="vacuum" coeffs="10.0" id="18" name="maximum z" type="z-plane" />
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>1000</particles>
+    <batches>10</batches>
+    <source strength="1.0">
+      <space origin="0.0 0.0 0.0" type="spherical">
+        <r parameters="0.0 0.0" type="uniform" />
+        <cos_theta type="discrete">
+          <parameters>1.0 1.0</parameters>
+        </cos_theta>
+        <phi type="discrete">
+          <parameters>0.0 1.0</parameters>
+        </phi>
+      </space>
+      <energy type="discrete">
+        <parameters>15000000.0 1.0</parameters>
+      </energy>
+    </source>
+  </settings>
+  <tallies>
+    <mesh id="1">
+      <dimension>10 10 10</dimension>
+      <lower_left>-10.0 -10.0 -10.0</lower_left>
+      <upper_right>10.0 10.0 10.0</upper_right>
+    </mesh>
+    <mesh id="2" library="libmesh" type="unstructured">
+      <filename>test_mesh_tets.e</filename>
+    </mesh>
+    <filter id="1" type="mesh">
+      <bins>1</bins>
+    </filter>
+    <filter id="2" type="mesh">
+      <bins>2</bins>
+    </filter>
+    <tally id="1" name="regular mesh tally">
+      <filters>1</filters>
+      <scores>flux</scores>
+      <estimator>collision</estimator>
+    </tally>
+    <tally id="2" name="unstructured mesh tally">
+      <filters>2</filters>
+      <scores>flux</scores>
+      <estimator>collision</estimator>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true4.dat b/tests/regression_tests/unstructured_mesh/inputs_true4.dat
index 995a1828f..7006c0f41 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true4.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true4.dat
@@ -1,92 +1,91 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell id="13" material="13" name="fuel" region="73 -74 75 -76 77 -78" universe="5" />
-  <cell id="14" material="14" name="clad" region="(-73 | 74 | -75 | 76 | -77 | 78) (79 -80 81 -82 83 -84)" universe="5" />
-  <cell id="15" material="15" name="water" region="(-79 | 80 | -81 | 82 | -83 | 84) (85 -86 87 -88 89 -90)" universe="5" />
-  <surface coeffs="-5.0" id="73" name="minimum x" type="x-plane" />
-  <surface coeffs="5.0" id="74" name="maximum x" type="x-plane" />
-  <surface coeffs="-5.0" id="75" name="minimum y" type="y-plane" />
-  <surface coeffs="5.0" id="76" name="maximum y" type="y-plane" />
-  <surface coeffs="-5.0" id="77" name="minimum z" type="z-plane" />
-  <surface coeffs="5.0" id="78" name="maximum z" type="z-plane" />
-  <surface coeffs="-6.0" id="79" name="minimum x" type="x-plane" />
-  <surface coeffs="6.0" id="80" name="maximum x" type="x-plane" />
-  <surface coeffs="-6.0" id="81" name="minimum y" type="y-plane" />
-  <surface coeffs="6.0" id="82" name="maximum y" type="y-plane" />
-  <surface coeffs="-6.0" id="83" name="minimum z" type="z-plane" />
-  <surface coeffs="6.0" id="84" name="maximum z" type="z-plane" />
-  <surface boundary="vacuum" coeffs="-15" id="85" name="minimum x" type="x-plane" />
-  <surface boundary="vacuum" coeffs="15" id="86" name="maximum x" type="x-plane" />
-  <surface boundary="vacuum" coeffs="-15" id="87" name="minimum y" type="y-plane" />
-  <surface boundary="vacuum" coeffs="15" id="88" name="maximum y" type="y-plane" />
-  <surface boundary="vacuum" coeffs="-15" id="89" name="minimum z" type="z-plane" />
-  <surface boundary="vacuum" coeffs="15" id="90" name="maximum z" type="z-plane" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-  <material depletable="true" id="13" name="fuel">
-    <density units="g/cc" value="4.5" />
-    <nuclide ao="1.0" name="U235" />
-  </material>
-  <material id="14" name="zircaloy">
-    <density units="g/cc" value="5.77" />
-    <nuclide ao="0.5145" name="Zr90" />
-    <nuclide ao="0.1122" name="Zr91" />
-    <nuclide ao="0.1715" name="Zr92" />
-    <nuclide ao="0.1738" name="Zr94" />
-    <nuclide ao="0.028" name="Zr96" />
-  </material>
-  <material id="15" name="water">
-    <density units="atom/b-cm" value="0.07416" />
-    <nuclide ao="2.0" name="H1" />
-    <nuclide ao="1.0" name="O16" />
-  </material>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>fixed source</run_mode>
-  <particles>100</particles>
-  <batches>10</batches>
-  <source strength="1.0">
-    <space origin="0.0 0.0 0.0" type="spherical">
-      <r parameters="0.0 0.0" type="uniform" />
-      <cos_theta type="discrete">
-        <parameters>1.0 1.0</parameters>
-      </cos_theta>
-      <phi type="discrete">
-        <parameters>0.0 1.0</parameters>
-      </phi>
-    </space>
-    <angle reference_uvw="-1.0 0.0 0.0" type="monodirectional" />
-    <energy type="discrete">
-      <parameters>15000000.0 1.0</parameters>
-    </energy>
-  </source>
-</settings>
-<?xml version='1.0' encoding='utf-8'?>
-<tallies>
-  <mesh id="9">
-    <dimension>10 10 10</dimension>
-    <lower_left>-10.0 -10.0 -10.0</lower_left>
-    <upper_right>10.0 10.0 10.0</upper_right>
-  </mesh>
-  <mesh id="10" library="moab" type="unstructured">
-    <filename>test_mesh_tets_w_holes.exo</filename>
-  </mesh>
-  <filter id="9" type="mesh">
-    <bins>9</bins>
-  </filter>
-  <filter id="10" type="mesh">
-    <bins>10</bins>
-  </filter>
-  <tally id="9" name="regular mesh tally">
-    <filters>9</filters>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="10" name="unstructured mesh tally">
-    <filters>10</filters>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-</tallies>
+<model>
+  <materials>
+    <material depletable="true" id="13" name="fuel">
+      <density units="g/cc" value="4.5" />
+      <nuclide ao="1.0" name="U235" />
+    </material>
+    <material id="14" name="zircaloy">
+      <density units="g/cc" value="5.77" />
+      <nuclide ao="0.5145" name="Zr90" />
+      <nuclide ao="0.1122" name="Zr91" />
+      <nuclide ao="0.1715" name="Zr92" />
+      <nuclide ao="0.1738" name="Zr94" />
+      <nuclide ao="0.028" name="Zr96" />
+    </material>
+    <material id="15" name="water">
+      <density units="atom/b-cm" value="0.07416" />
+      <nuclide ao="2.0" name="H1" />
+      <nuclide ao="1.0" name="O16" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="13" material="13" name="fuel" region="73 -74 75 -76 77 -78" universe="5" />
+    <cell id="14" material="14" name="clad" region="(-73 | 74 | -75 | 76 | -77 | 78) (79 -80 81 -82 83 -84)" universe="5" />
+    <cell id="15" material="15" name="water" region="(-79 | 80 | -81 | 82 | -83 | 84) (85 -86 87 -88 89 -90)" universe="5" />
+    <surface coeffs="-5.0" id="73" name="minimum x" type="x-plane" />
+    <surface coeffs="5.0" id="74" name="maximum x" type="x-plane" />
+    <surface coeffs="-5.0" id="75" name="minimum y" type="y-plane" />
+    <surface coeffs="5.0" id="76" name="maximum y" type="y-plane" />
+    <surface coeffs="-5.0" id="77" name="minimum z" type="z-plane" />
+    <surface coeffs="5.0" id="78" name="maximum z" type="z-plane" />
+    <surface coeffs="-6.0" id="79" name="minimum x" type="x-plane" />
+    <surface coeffs="6.0" id="80" name="maximum x" type="x-plane" />
+    <surface coeffs="-6.0" id="81" name="minimum y" type="y-plane" />
+    <surface coeffs="6.0" id="82" name="maximum y" type="y-plane" />
+    <surface coeffs="-6.0" id="83" name="minimum z" type="z-plane" />
+    <surface coeffs="6.0" id="84" name="maximum z" type="z-plane" />
+    <surface boundary="vacuum" coeffs="-15" id="85" name="minimum x" type="x-plane" />
+    <surface boundary="vacuum" coeffs="15" id="86" name="maximum x" type="x-plane" />
+    <surface boundary="vacuum" coeffs="-15" id="87" name="minimum y" type="y-plane" />
+    <surface boundary="vacuum" coeffs="15" id="88" name="maximum y" type="y-plane" />
+    <surface boundary="vacuum" coeffs="-15" id="89" name="minimum z" type="z-plane" />
+    <surface boundary="vacuum" coeffs="15" id="90" name="maximum z" type="z-plane" />
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>100</particles>
+    <batches>10</batches>
+    <source strength="1.0">
+      <space origin="0.0 0.0 0.0" type="spherical">
+        <r parameters="0.0 0.0" type="uniform" />
+        <cos_theta type="discrete">
+          <parameters>1.0 1.0</parameters>
+        </cos_theta>
+        <phi type="discrete">
+          <parameters>0.0 1.0</parameters>
+        </phi>
+      </space>
+      <angle reference_uvw="-1.0 0.0 0.0" type="monodirectional" />
+      <energy type="discrete">
+        <parameters>15000000.0 1.0</parameters>
+      </energy>
+    </source>
+  </settings>
+  <tallies>
+    <mesh id="9">
+      <dimension>10 10 10</dimension>
+      <lower_left>-10.0 -10.0 -10.0</lower_left>
+      <upper_right>10.0 10.0 10.0</upper_right>
+    </mesh>
+    <mesh id="10" library="moab" type="unstructured">
+      <filename>test_mesh_tets_w_holes.exo</filename>
+    </mesh>
+    <filter id="9" type="mesh">
+      <bins>9</bins>
+    </filter>
+    <filter id="10" type="mesh">
+      <bins>10</bins>
+    </filter>
+    <tally id="9" name="regular mesh tally">
+      <filters>9</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="10" name="unstructured mesh tally">
+      <filters>10</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true5.dat b/tests/regression_tests/unstructured_mesh/inputs_true5.dat
index 60229e5e5..6c20900fa 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true5.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true5.dat
@@ -1,92 +1,91 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell id="16" material="16" name="fuel" region="91 -92 93 -94 95 -96" universe="6" />
-  <cell id="17" material="17" name="clad" region="(-91 | 92 | -93 | 94 | -95 | 96) (97 -98 99 -100 101 -102)" universe="6" />
-  <cell id="18" material="18" name="water" region="(-97 | 98 | -99 | 100 | -101 | 102) (103 -104 105 -106 107 -108)" universe="6" />
-  <surface coeffs="-5.0" id="91" name="minimum x" type="x-plane" />
-  <surface coeffs="5.0" id="92" name="maximum x" type="x-plane" />
-  <surface coeffs="-5.0" id="93" name="minimum y" type="y-plane" />
-  <surface coeffs="5.0" id="94" name="maximum y" type="y-plane" />
-  <surface coeffs="-5.0" id="95" name="minimum z" type="z-plane" />
-  <surface coeffs="5.0" id="96" name="maximum z" type="z-plane" />
-  <surface coeffs="-6.0" id="97" name="minimum x" type="x-plane" />
-  <surface coeffs="6.0" id="98" name="maximum x" type="x-plane" />
-  <surface coeffs="-6.0" id="99" name="minimum y" type="y-plane" />
-  <surface coeffs="6.0" id="100" name="maximum y" type="y-plane" />
-  <surface coeffs="-6.0" id="101" name="minimum z" type="z-plane" />
-  <surface coeffs="6.0" id="102" name="maximum z" type="z-plane" />
-  <surface boundary="vacuum" coeffs="-15" id="103" name="minimum x" type="x-plane" />
-  <surface boundary="vacuum" coeffs="15" id="104" name="maximum x" type="x-plane" />
-  <surface boundary="vacuum" coeffs="-15" id="105" name="minimum y" type="y-plane" />
-  <surface boundary="vacuum" coeffs="15" id="106" name="maximum y" type="y-plane" />
-  <surface boundary="vacuum" coeffs="-15" id="107" name="minimum z" type="z-plane" />
-  <surface boundary="vacuum" coeffs="15" id="108" name="maximum z" type="z-plane" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-  <material depletable="true" id="16" name="fuel">
-    <density units="g/cc" value="4.5" />
-    <nuclide ao="1.0" name="U235" />
-  </material>
-  <material id="17" name="zircaloy">
-    <density units="g/cc" value="5.77" />
-    <nuclide ao="0.5145" name="Zr90" />
-    <nuclide ao="0.1122" name="Zr91" />
-    <nuclide ao="0.1715" name="Zr92" />
-    <nuclide ao="0.1738" name="Zr94" />
-    <nuclide ao="0.028" name="Zr96" />
-  </material>
-  <material id="18" name="water">
-    <density units="atom/b-cm" value="0.07416" />
-    <nuclide ao="2.0" name="H1" />
-    <nuclide ao="1.0" name="O16" />
-  </material>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>fixed source</run_mode>
-  <particles>100</particles>
-  <batches>10</batches>
-  <source strength="1.0">
-    <space origin="0.0 0.0 0.0" type="spherical">
-      <r parameters="0.0 0.0" type="uniform" />
-      <cos_theta type="discrete">
-        <parameters>1.0 1.0</parameters>
-      </cos_theta>
-      <phi type="discrete">
-        <parameters>0.0 1.0</parameters>
-      </phi>
-    </space>
-    <angle reference_uvw="-1.0 0.0 0.0" type="monodirectional" />
-    <energy type="discrete">
-      <parameters>15000000.0 1.0</parameters>
-    </energy>
-  </source>
-</settings>
-<?xml version='1.0' encoding='utf-8'?>
-<tallies>
-  <mesh id="11">
-    <dimension>10 10 10</dimension>
-    <lower_left>-10.0 -10.0 -10.0</lower_left>
-    <upper_right>10.0 10.0 10.0</upper_right>
-  </mesh>
-  <mesh id="12" library="moab" type="unstructured">
-    <filename>test_mesh_tets.exo</filename>
-  </mesh>
-  <filter id="11" type="mesh">
-    <bins>11</bins>
-  </filter>
-  <filter id="12" type="mesh">
-    <bins>12</bins>
-  </filter>
-  <tally id="11" name="regular mesh tally">
-    <filters>11</filters>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="12" name="unstructured mesh tally">
-    <filters>12</filters>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-</tallies>
+<model>
+  <materials>
+    <material depletable="true" id="16" name="fuel">
+      <density units="g/cc" value="4.5" />
+      <nuclide ao="1.0" name="U235" />
+    </material>
+    <material id="17" name="zircaloy">
+      <density units="g/cc" value="5.77" />
+      <nuclide ao="0.5145" name="Zr90" />
+      <nuclide ao="0.1122" name="Zr91" />
+      <nuclide ao="0.1715" name="Zr92" />
+      <nuclide ao="0.1738" name="Zr94" />
+      <nuclide ao="0.028" name="Zr96" />
+    </material>
+    <material id="18" name="water">
+      <density units="atom/b-cm" value="0.07416" />
+      <nuclide ao="2.0" name="H1" />
+      <nuclide ao="1.0" name="O16" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="16" material="16" name="fuel" region="91 -92 93 -94 95 -96" universe="6" />
+    <cell id="17" material="17" name="clad" region="(-91 | 92 | -93 | 94 | -95 | 96) (97 -98 99 -100 101 -102)" universe="6" />
+    <cell id="18" material="18" name="water" region="(-97 | 98 | -99 | 100 | -101 | 102) (103 -104 105 -106 107 -108)" universe="6" />
+    <surface coeffs="-5.0" id="91" name="minimum x" type="x-plane" />
+    <surface coeffs="5.0" id="92" name="maximum x" type="x-plane" />
+    <surface coeffs="-5.0" id="93" name="minimum y" type="y-plane" />
+    <surface coeffs="5.0" id="94" name="maximum y" type="y-plane" />
+    <surface coeffs="-5.0" id="95" name="minimum z" type="z-plane" />
+    <surface coeffs="5.0" id="96" name="maximum z" type="z-plane" />
+    <surface coeffs="-6.0" id="97" name="minimum x" type="x-plane" />
+    <surface coeffs="6.0" id="98" name="maximum x" type="x-plane" />
+    <surface coeffs="-6.0" id="99" name="minimum y" type="y-plane" />
+    <surface coeffs="6.0" id="100" name="maximum y" type="y-plane" />
+    <surface coeffs="-6.0" id="101" name="minimum z" type="z-plane" />
+    <surface coeffs="6.0" id="102" name="maximum z" type="z-plane" />
+    <surface boundary="vacuum" coeffs="-15" id="103" name="minimum x" type="x-plane" />
+    <surface boundary="vacuum" coeffs="15" id="104" name="maximum x" type="x-plane" />
+    <surface boundary="vacuum" coeffs="-15" id="105" name="minimum y" type="y-plane" />
+    <surface boundary="vacuum" coeffs="15" id="106" name="maximum y" type="y-plane" />
+    <surface boundary="vacuum" coeffs="-15" id="107" name="minimum z" type="z-plane" />
+    <surface boundary="vacuum" coeffs="15" id="108" name="maximum z" type="z-plane" />
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>100</particles>
+    <batches>10</batches>
+    <source strength="1.0">
+      <space origin="0.0 0.0 0.0" type="spherical">
+        <r parameters="0.0 0.0" type="uniform" />
+        <cos_theta type="discrete">
+          <parameters>1.0 1.0</parameters>
+        </cos_theta>
+        <phi type="discrete">
+          <parameters>0.0 1.0</parameters>
+        </phi>
+      </space>
+      <angle reference_uvw="-1.0 0.0 0.0" type="monodirectional" />
+      <energy type="discrete">
+        <parameters>15000000.0 1.0</parameters>
+      </energy>
+    </source>
+  </settings>
+  <tallies>
+    <mesh id="11">
+      <dimension>10 10 10</dimension>
+      <lower_left>-10.0 -10.0 -10.0</lower_left>
+      <upper_right>10.0 10.0 10.0</upper_right>
+    </mesh>
+    <mesh id="12" library="moab" type="unstructured">
+      <filename>test_mesh_tets.exo</filename>
+    </mesh>
+    <filter id="11" type="mesh">
+      <bins>11</bins>
+    </filter>
+    <filter id="12" type="mesh">
+      <bins>12</bins>
+    </filter>
+    <tally id="11" name="regular mesh tally">
+      <filters>11</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="12" name="unstructured mesh tally">
+      <filters>12</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true6.dat b/tests/regression_tests/unstructured_mesh/inputs_true6.dat
index 7a9257cb7..e0be90360 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true6.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true6.dat
@@ -1,92 +1,91 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell id="19" material="19" name="fuel" region="109 -110 111 -112 113 -114" universe="7" />
-  <cell id="20" material="20" name="clad" region="(-109 | 110 | -111 | 112 | -113 | 114) (115 -116 117 -118 119 -120)" universe="7" />
-  <cell id="21" material="21" name="water" region="(-115 | 116 | -117 | 118 | -119 | 120) (121 -122 123 -124 125 -126)" universe="7" />
-  <surface coeffs="-5.0" id="109" name="minimum x" type="x-plane" />
-  <surface coeffs="5.0" id="110" name="maximum x" type="x-plane" />
-  <surface coeffs="-5.0" id="111" name="minimum y" type="y-plane" />
-  <surface coeffs="5.0" id="112" name="maximum y" type="y-plane" />
-  <surface coeffs="-5.0" id="113" name="minimum z" type="z-plane" />
-  <surface coeffs="5.0" id="114" name="maximum z" type="z-plane" />
-  <surface coeffs="-6.0" id="115" name="minimum x" type="x-plane" />
-  <surface coeffs="6.0" id="116" name="maximum x" type="x-plane" />
-  <surface coeffs="-6.0" id="117" name="minimum y" type="y-plane" />
-  <surface coeffs="6.0" id="118" name="maximum y" type="y-plane" />
-  <surface coeffs="-6.0" id="119" name="minimum z" type="z-plane" />
-  <surface coeffs="6.0" id="120" name="maximum z" type="z-plane" />
-  <surface boundary="vacuum" coeffs="-10" id="121" name="minimum x" type="x-plane" />
-  <surface boundary="vacuum" coeffs="10" id="122" name="maximum x" type="x-plane" />
-  <surface boundary="vacuum" coeffs="-10" id="123" name="minimum y" type="y-plane" />
-  <surface boundary="vacuum" coeffs="10" id="124" name="maximum y" type="y-plane" />
-  <surface boundary="vacuum" coeffs="-10" id="125" name="minimum z" type="z-plane" />
-  <surface boundary="vacuum" coeffs="10" id="126" name="maximum z" type="z-plane" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-  <material depletable="true" id="19" name="fuel">
-    <density units="g/cc" value="4.5" />
-    <nuclide ao="1.0" name="U235" />
-  </material>
-  <material id="20" name="zircaloy">
-    <density units="g/cc" value="5.77" />
-    <nuclide ao="0.5145" name="Zr90" />
-    <nuclide ao="0.1122" name="Zr91" />
-    <nuclide ao="0.1715" name="Zr92" />
-    <nuclide ao="0.1738" name="Zr94" />
-    <nuclide ao="0.028" name="Zr96" />
-  </material>
-  <material id="21" name="water">
-    <density units="atom/b-cm" value="0.07416" />
-    <nuclide ao="2.0" name="H1" />
-    <nuclide ao="1.0" name="O16" />
-  </material>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>fixed source</run_mode>
-  <particles>100</particles>
-  <batches>10</batches>
-  <source strength="1.0">
-    <space origin="0.0 0.0 0.0" type="spherical">
-      <r parameters="0.0 0.0" type="uniform" />
-      <cos_theta type="discrete">
-        <parameters>1.0 1.0</parameters>
-      </cos_theta>
-      <phi type="discrete">
-        <parameters>0.0 1.0</parameters>
-      </phi>
-    </space>
-    <angle reference_uvw="-1.0 0.0 0.0" type="monodirectional" />
-    <energy type="discrete">
-      <parameters>15000000.0 1.0</parameters>
-    </energy>
-  </source>
-</settings>
-<?xml version='1.0' encoding='utf-8'?>
-<tallies>
-  <mesh id="13">
-    <dimension>10 10 10</dimension>
-    <lower_left>-10.0 -10.0 -10.0</lower_left>
-    <upper_right>10.0 10.0 10.0</upper_right>
-  </mesh>
-  <mesh id="14" library="moab" type="unstructured">
-    <filename>test_mesh_tets_w_holes.exo</filename>
-  </mesh>
-  <filter id="13" type="mesh">
-    <bins>13</bins>
-  </filter>
-  <filter id="14" type="mesh">
-    <bins>14</bins>
-  </filter>
-  <tally id="13" name="regular mesh tally">
-    <filters>13</filters>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="14" name="unstructured mesh tally">
-    <filters>14</filters>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-</tallies>
+<model>
+  <materials>
+    <material depletable="true" id="19" name="fuel">
+      <density units="g/cc" value="4.5" />
+      <nuclide ao="1.0" name="U235" />
+    </material>
+    <material id="20" name="zircaloy">
+      <density units="g/cc" value="5.77" />
+      <nuclide ao="0.5145" name="Zr90" />
+      <nuclide ao="0.1122" name="Zr91" />
+      <nuclide ao="0.1715" name="Zr92" />
+      <nuclide ao="0.1738" name="Zr94" />
+      <nuclide ao="0.028" name="Zr96" />
+    </material>
+    <material id="21" name="water">
+      <density units="atom/b-cm" value="0.07416" />
+      <nuclide ao="2.0" name="H1" />
+      <nuclide ao="1.0" name="O16" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="19" material="19" name="fuel" region="109 -110 111 -112 113 -114" universe="7" />
+    <cell id="20" material="20" name="clad" region="(-109 | 110 | -111 | 112 | -113 | 114) (115 -116 117 -118 119 -120)" universe="7" />
+    <cell id="21" material="21" name="water" region="(-115 | 116 | -117 | 118 | -119 | 120) (121 -122 123 -124 125 -126)" universe="7" />
+    <surface coeffs="-5.0" id="109" name="minimum x" type="x-plane" />
+    <surface coeffs="5.0" id="110" name="maximum x" type="x-plane" />
+    <surface coeffs="-5.0" id="111" name="minimum y" type="y-plane" />
+    <surface coeffs="5.0" id="112" name="maximum y" type="y-plane" />
+    <surface coeffs="-5.0" id="113" name="minimum z" type="z-plane" />
+    <surface coeffs="5.0" id="114" name="maximum z" type="z-plane" />
+    <surface coeffs="-6.0" id="115" name="minimum x" type="x-plane" />
+    <surface coeffs="6.0" id="116" name="maximum x" type="x-plane" />
+    <surface coeffs="-6.0" id="117" name="minimum y" type="y-plane" />
+    <surface coeffs="6.0" id="118" name="maximum y" type="y-plane" />
+    <surface coeffs="-6.0" id="119" name="minimum z" type="z-plane" />
+    <surface coeffs="6.0" id="120" name="maximum z" type="z-plane" />
+    <surface boundary="vacuum" coeffs="-10" id="121" name="minimum x" type="x-plane" />
+    <surface boundary="vacuum" coeffs="10" id="122" name="maximum x" type="x-plane" />
+    <surface boundary="vacuum" coeffs="-10" id="123" name="minimum y" type="y-plane" />
+    <surface boundary="vacuum" coeffs="10" id="124" name="maximum y" type="y-plane" />
+    <surface boundary="vacuum" coeffs="-10" id="125" name="minimum z" type="z-plane" />
+    <surface boundary="vacuum" coeffs="10" id="126" name="maximum z" type="z-plane" />
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>100</particles>
+    <batches>10</batches>
+    <source strength="1.0">
+      <space origin="0.0 0.0 0.0" type="spherical">
+        <r parameters="0.0 0.0" type="uniform" />
+        <cos_theta type="discrete">
+          <parameters>1.0 1.0</parameters>
+        </cos_theta>
+        <phi type="discrete">
+          <parameters>0.0 1.0</parameters>
+        </phi>
+      </space>
+      <angle reference_uvw="-1.0 0.0 0.0" type="monodirectional" />
+      <energy type="discrete">
+        <parameters>15000000.0 1.0</parameters>
+      </energy>
+    </source>
+  </settings>
+  <tallies>
+    <mesh id="13">
+      <dimension>10 10 10</dimension>
+      <lower_left>-10.0 -10.0 -10.0</lower_left>
+      <upper_right>10.0 10.0 10.0</upper_right>
+    </mesh>
+    <mesh id="14" library="moab" type="unstructured">
+      <filename>test_mesh_tets_w_holes.exo</filename>
+    </mesh>
+    <filter id="13" type="mesh">
+      <bins>13</bins>
+    </filter>
+    <filter id="14" type="mesh">
+      <bins>14</bins>
+    </filter>
+    <tally id="13" name="regular mesh tally">
+      <filters>13</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="14" name="unstructured mesh tally">
+      <filters>14</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true7.dat b/tests/regression_tests/unstructured_mesh/inputs_true7.dat
index 52802febf..3a4cc1b83 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true7.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true7.dat
@@ -1,92 +1,91 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell id="22" material="22" name="fuel" region="127 -128 129 -130 131 -132" universe="8" />
-  <cell id="23" material="23" name="clad" region="(-127 | 128 | -129 | 130 | -131 | 132) (133 -134 135 -136 137 -138)" universe="8" />
-  <cell id="24" material="24" name="water" region="(-133 | 134 | -135 | 136 | -137 | 138) (139 -140 141 -142 143 -144)" universe="8" />
-  <surface coeffs="-5.0" id="127" name="minimum x" type="x-plane" />
-  <surface coeffs="5.0" id="128" name="maximum x" type="x-plane" />
-  <surface coeffs="-5.0" id="129" name="minimum y" type="y-plane" />
-  <surface coeffs="5.0" id="130" name="maximum y" type="y-plane" />
-  <surface coeffs="-5.0" id="131" name="minimum z" type="z-plane" />
-  <surface coeffs="5.0" id="132" name="maximum z" type="z-plane" />
-  <surface coeffs="-6.0" id="133" name="minimum x" type="x-plane" />
-  <surface coeffs="6.0" id="134" name="maximum x" type="x-plane" />
-  <surface coeffs="-6.0" id="135" name="minimum y" type="y-plane" />
-  <surface coeffs="6.0" id="136" name="maximum y" type="y-plane" />
-  <surface coeffs="-6.0" id="137" name="minimum z" type="z-plane" />
-  <surface coeffs="6.0" id="138" name="maximum z" type="z-plane" />
-  <surface boundary="vacuum" coeffs="-10" id="139" name="minimum x" type="x-plane" />
-  <surface boundary="vacuum" coeffs="10" id="140" name="maximum x" type="x-plane" />
-  <surface boundary="vacuum" coeffs="-10" id="141" name="minimum y" type="y-plane" />
-  <surface boundary="vacuum" coeffs="10" id="142" name="maximum y" type="y-plane" />
-  <surface boundary="vacuum" coeffs="-10" id="143" name="minimum z" type="z-plane" />
-  <surface boundary="vacuum" coeffs="10" id="144" name="maximum z" type="z-plane" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-  <material depletable="true" id="22" name="fuel">
-    <density units="g/cc" value="4.5" />
-    <nuclide ao="1.0" name="U235" />
-  </material>
-  <material id="23" name="zircaloy">
-    <density units="g/cc" value="5.77" />
-    <nuclide ao="0.5145" name="Zr90" />
-    <nuclide ao="0.1122" name="Zr91" />
-    <nuclide ao="0.1715" name="Zr92" />
-    <nuclide ao="0.1738" name="Zr94" />
-    <nuclide ao="0.028" name="Zr96" />
-  </material>
-  <material id="24" name="water">
-    <density units="atom/b-cm" value="0.07416" />
-    <nuclide ao="2.0" name="H1" />
-    <nuclide ao="1.0" name="O16" />
-  </material>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>fixed source</run_mode>
-  <particles>100</particles>
-  <batches>10</batches>
-  <source strength="1.0">
-    <space origin="0.0 0.0 0.0" type="spherical">
-      <r parameters="0.0 0.0" type="uniform" />
-      <cos_theta type="discrete">
-        <parameters>1.0 1.0</parameters>
-      </cos_theta>
-      <phi type="discrete">
-        <parameters>0.0 1.0</parameters>
-      </phi>
-    </space>
-    <angle reference_uvw="-1.0 0.0 0.0" type="monodirectional" />
-    <energy type="discrete">
-      <parameters>15000000.0 1.0</parameters>
-    </energy>
-  </source>
-</settings>
-<?xml version='1.0' encoding='utf-8'?>
-<tallies>
-  <mesh id="15">
-    <dimension>10 10 10</dimension>
-    <lower_left>-10.0 -10.0 -10.0</lower_left>
-    <upper_right>10.0 10.0 10.0</upper_right>
-  </mesh>
-  <mesh id="16" library="moab" type="unstructured">
-    <filename>test_mesh_tets.exo</filename>
-  </mesh>
-  <filter id="15" type="mesh">
-    <bins>15</bins>
-  </filter>
-  <filter id="16" type="mesh">
-    <bins>16</bins>
-  </filter>
-  <tally id="15" name="regular mesh tally">
-    <filters>15</filters>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="16" name="unstructured mesh tally">
-    <filters>16</filters>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-</tallies>
+<model>
+  <materials>
+    <material depletable="true" id="22" name="fuel">
+      <density units="g/cc" value="4.5" />
+      <nuclide ao="1.0" name="U235" />
+    </material>
+    <material id="23" name="zircaloy">
+      <density units="g/cc" value="5.77" />
+      <nuclide ao="0.5145" name="Zr90" />
+      <nuclide ao="0.1122" name="Zr91" />
+      <nuclide ao="0.1715" name="Zr92" />
+      <nuclide ao="0.1738" name="Zr94" />
+      <nuclide ao="0.028" name="Zr96" />
+    </material>
+    <material id="24" name="water">
+      <density units="atom/b-cm" value="0.07416" />
+      <nuclide ao="2.0" name="H1" />
+      <nuclide ao="1.0" name="O16" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="22" material="22" name="fuel" region="127 -128 129 -130 131 -132" universe="8" />
+    <cell id="23" material="23" name="clad" region="(-127 | 128 | -129 | 130 | -131 | 132) (133 -134 135 -136 137 -138)" universe="8" />
+    <cell id="24" material="24" name="water" region="(-133 | 134 | -135 | 136 | -137 | 138) (139 -140 141 -142 143 -144)" universe="8" />
+    <surface coeffs="-5.0" id="127" name="minimum x" type="x-plane" />
+    <surface coeffs="5.0" id="128" name="maximum x" type="x-plane" />
+    <surface coeffs="-5.0" id="129" name="minimum y" type="y-plane" />
+    <surface coeffs="5.0" id="130" name="maximum y" type="y-plane" />
+    <surface coeffs="-5.0" id="131" name="minimum z" type="z-plane" />
+    <surface coeffs="5.0" id="132" name="maximum z" type="z-plane" />
+    <surface coeffs="-6.0" id="133" name="minimum x" type="x-plane" />
+    <surface coeffs="6.0" id="134" name="maximum x" type="x-plane" />
+    <surface coeffs="-6.0" id="135" name="minimum y" type="y-plane" />
+    <surface coeffs="6.0" id="136" name="maximum y" type="y-plane" />
+    <surface coeffs="-6.0" id="137" name="minimum z" type="z-plane" />
+    <surface coeffs="6.0" id="138" name="maximum z" type="z-plane" />
+    <surface boundary="vacuum" coeffs="-10" id="139" name="minimum x" type="x-plane" />
+    <surface boundary="vacuum" coeffs="10" id="140" name="maximum x" type="x-plane" />
+    <surface boundary="vacuum" coeffs="-10" id="141" name="minimum y" type="y-plane" />
+    <surface boundary="vacuum" coeffs="10" id="142" name="maximum y" type="y-plane" />
+    <surface boundary="vacuum" coeffs="-10" id="143" name="minimum z" type="z-plane" />
+    <surface boundary="vacuum" coeffs="10" id="144" name="maximum z" type="z-plane" />
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>100</particles>
+    <batches>10</batches>
+    <source strength="1.0">
+      <space origin="0.0 0.0 0.0" type="spherical">
+        <r parameters="0.0 0.0" type="uniform" />
+        <cos_theta type="discrete">
+          <parameters>1.0 1.0</parameters>
+        </cos_theta>
+        <phi type="discrete">
+          <parameters>0.0 1.0</parameters>
+        </phi>
+      </space>
+      <angle reference_uvw="-1.0 0.0 0.0" type="monodirectional" />
+      <energy type="discrete">
+        <parameters>15000000.0 1.0</parameters>
+      </energy>
+    </source>
+  </settings>
+  <tallies>
+    <mesh id="15">
+      <dimension>10 10 10</dimension>
+      <lower_left>-10.0 -10.0 -10.0</lower_left>
+      <upper_right>10.0 10.0 10.0</upper_right>
+    </mesh>
+    <mesh id="16" library="moab" type="unstructured">
+      <filename>test_mesh_tets.exo</filename>
+    </mesh>
+    <filter id="15" type="mesh">
+      <bins>15</bins>
+    </filter>
+    <filter id="16" type="mesh">
+      <bins>16</bins>
+    </filter>
+    <tally id="15" name="regular mesh tally">
+      <filters>15</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="16" name="unstructured mesh tally">
+      <filters>16</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true8.dat b/tests/regression_tests/unstructured_mesh/inputs_true8.dat
index a0cbbcae7..bd19a95ae 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true8.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true8.dat
@@ -1,91 +1,90 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell id="1" material="1" name="fuel" region="1 -2 3 -4 5 -6" universe="1" />
-  <cell id="2" material="2" name="clad" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1" />
-  <cell id="3" material="3" name="water" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1" />
-  <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane" />
-  <surface coeffs="5.0" id="2" name="maximum x" type="x-plane" />
-  <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane" />
-  <surface coeffs="5.0" id="4" name="maximum y" type="y-plane" />
-  <surface coeffs="-5.0" id="5" name="minimum z" type="z-plane" />
-  <surface coeffs="5.0" id="6" name="maximum z" type="z-plane" />
-  <surface coeffs="-6.0" id="7" name="minimum x" type="x-plane" />
-  <surface coeffs="6.0" id="8" name="maximum x" type="x-plane" />
-  <surface coeffs="-6.0" id="9" name="minimum y" type="y-plane" />
-  <surface coeffs="6.0" id="10" name="maximum y" type="y-plane" />
-  <surface coeffs="-6.0" id="11" name="minimum z" type="z-plane" />
-  <surface coeffs="6.0" id="12" name="maximum z" type="z-plane" />
-  <surface boundary="vacuum" coeffs="-15.0" id="13" name="minimum x" type="x-plane" />
-  <surface boundary="vacuum" coeffs="15.0" id="14" name="maximum x" type="x-plane" />
-  <surface boundary="vacuum" coeffs="-15.0" id="15" name="minimum y" type="y-plane" />
-  <surface boundary="vacuum" coeffs="15.0" id="16" name="maximum y" type="y-plane" />
-  <surface boundary="vacuum" coeffs="-15.0" id="17" name="minimum z" type="z-plane" />
-  <surface boundary="vacuum" coeffs="15.0" id="18" name="maximum z" type="z-plane" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-  <material depletable="true" id="1" name="fuel">
-    <density units="g/cc" value="4.5" />
-    <nuclide ao="1.0" name="U235" />
-  </material>
-  <material id="2" name="zircaloy">
-    <density units="g/cc" value="5.77" />
-    <nuclide ao="0.5145" name="Zr90" />
-    <nuclide ao="0.1122" name="Zr91" />
-    <nuclide ao="0.1715" name="Zr92" />
-    <nuclide ao="0.1738" name="Zr94" />
-    <nuclide ao="0.028" name="Zr96" />
-  </material>
-  <material id="3" name="water">
-    <density units="atom/b-cm" value="0.07416" />
-    <nuclide ao="2.0" name="H1" />
-    <nuclide ao="1.0" name="O16" />
-  </material>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>fixed source</run_mode>
-  <particles>1000</particles>
-  <batches>10</batches>
-  <source strength="1.0">
-    <space origin="0.0 0.0 0.0" type="spherical">
-      <r parameters="0.0 0.0" type="uniform" />
-      <cos_theta type="discrete">
-        <parameters>1.0 1.0</parameters>
-      </cos_theta>
-      <phi type="discrete">
-        <parameters>0.0 1.0</parameters>
-      </phi>
-    </space>
-    <energy type="discrete">
-      <parameters>15000000.0 1.0</parameters>
-    </energy>
-  </source>
-</settings>
-<?xml version='1.0' encoding='utf-8'?>
-<tallies>
-  <mesh id="1">
-    <dimension>10 10 10</dimension>
-    <lower_left>-10.0 -10.0 -10.0</lower_left>
-    <upper_right>10.0 10.0 10.0</upper_right>
-  </mesh>
-  <mesh id="2" library="moab" type="unstructured">
-    <filename>test_mesh_tets_w_holes.e</filename>
-  </mesh>
-  <filter id="1" type="mesh">
-    <bins>1</bins>
-  </filter>
-  <filter id="2" type="mesh">
-    <bins>2</bins>
-  </filter>
-  <tally id="1" name="regular mesh tally">
-    <filters>1</filters>
-    <scores>flux</scores>
-    <estimator>collision</estimator>
-  </tally>
-  <tally id="2" name="unstructured mesh tally">
-    <filters>2</filters>
-    <scores>flux</scores>
-    <estimator>collision</estimator>
-  </tally>
-</tallies>
+<model>
+  <materials>
+    <material depletable="true" id="1" name="fuel">
+      <density units="g/cc" value="4.5" />
+      <nuclide ao="1.0" name="U235" />
+    </material>
+    <material id="2" name="zircaloy">
+      <density units="g/cc" value="5.77" />
+      <nuclide ao="0.5145" name="Zr90" />
+      <nuclide ao="0.1122" name="Zr91" />
+      <nuclide ao="0.1715" name="Zr92" />
+      <nuclide ao="0.1738" name="Zr94" />
+      <nuclide ao="0.028" name="Zr96" />
+    </material>
+    <material id="3" name="water">
+      <density units="atom/b-cm" value="0.07416" />
+      <nuclide ao="2.0" name="H1" />
+      <nuclide ao="1.0" name="O16" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" name="fuel" region="1 -2 3 -4 5 -6" universe="1" />
+    <cell id="2" material="2" name="clad" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1" />
+    <cell id="3" material="3" name="water" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1" />
+    <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane" />
+    <surface coeffs="5.0" id="2" name="maximum x" type="x-plane" />
+    <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane" />
+    <surface coeffs="5.0" id="4" name="maximum y" type="y-plane" />
+    <surface coeffs="-5.0" id="5" name="minimum z" type="z-plane" />
+    <surface coeffs="5.0" id="6" name="maximum z" type="z-plane" />
+    <surface coeffs="-6.0" id="7" name="minimum x" type="x-plane" />
+    <surface coeffs="6.0" id="8" name="maximum x" type="x-plane" />
+    <surface coeffs="-6.0" id="9" name="minimum y" type="y-plane" />
+    <surface coeffs="6.0" id="10" name="maximum y" type="y-plane" />
+    <surface coeffs="-6.0" id="11" name="minimum z" type="z-plane" />
+    <surface coeffs="6.0" id="12" name="maximum z" type="z-plane" />
+    <surface boundary="vacuum" coeffs="-15.0" id="13" name="minimum x" type="x-plane" />
+    <surface boundary="vacuum" coeffs="15.0" id="14" name="maximum x" type="x-plane" />
+    <surface boundary="vacuum" coeffs="-15.0" id="15" name="minimum y" type="y-plane" />
+    <surface boundary="vacuum" coeffs="15.0" id="16" name="maximum y" type="y-plane" />
+    <surface boundary="vacuum" coeffs="-15.0" id="17" name="minimum z" type="z-plane" />
+    <surface boundary="vacuum" coeffs="15.0" id="18" name="maximum z" type="z-plane" />
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>1000</particles>
+    <batches>10</batches>
+    <source strength="1.0">
+      <space origin="0.0 0.0 0.0" type="spherical">
+        <r parameters="0.0 0.0" type="uniform" />
+        <cos_theta type="discrete">
+          <parameters>1.0 1.0</parameters>
+        </cos_theta>
+        <phi type="discrete">
+          <parameters>0.0 1.0</parameters>
+        </phi>
+      </space>
+      <energy type="discrete">
+        <parameters>15000000.0 1.0</parameters>
+      </energy>
+    </source>
+  </settings>
+  <tallies>
+    <mesh id="1">
+      <dimension>10 10 10</dimension>
+      <lower_left>-10.0 -10.0 -10.0</lower_left>
+      <upper_right>10.0 10.0 10.0</upper_right>
+    </mesh>
+    <mesh id="2" library="moab" type="unstructured">
+      <filename>test_mesh_tets_w_holes.e</filename>
+    </mesh>
+    <filter id="1" type="mesh">
+      <bins>1</bins>
+    </filter>
+    <filter id="2" type="mesh">
+      <bins>2</bins>
+    </filter>
+    <tally id="1" name="regular mesh tally">
+      <filters>1</filters>
+      <scores>flux</scores>
+      <estimator>collision</estimator>
+    </tally>
+    <tally id="2" name="unstructured mesh tally">
+      <filters>2</filters>
+      <scores>flux</scores>
+      <estimator>collision</estimator>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true9.dat b/tests/regression_tests/unstructured_mesh/inputs_true9.dat
index 930bd8579..2e595a96c 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true9.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true9.dat
@@ -1,91 +1,90 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell id="1" material="1" name="fuel" region="1 -2 3 -4 5 -6" universe="1" />
-  <cell id="2" material="2" name="clad" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1" />
-  <cell id="3" material="3" name="water" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1" />
-  <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane" />
-  <surface coeffs="5.0" id="2" name="maximum x" type="x-plane" />
-  <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane" />
-  <surface coeffs="5.0" id="4" name="maximum y" type="y-plane" />
-  <surface coeffs="-5.0" id="5" name="minimum z" type="z-plane" />
-  <surface coeffs="5.0" id="6" name="maximum z" type="z-plane" />
-  <surface coeffs="-6.0" id="7" name="minimum x" type="x-plane" />
-  <surface coeffs="6.0" id="8" name="maximum x" type="x-plane" />
-  <surface coeffs="-6.0" id="9" name="minimum y" type="y-plane" />
-  <surface coeffs="6.0" id="10" name="maximum y" type="y-plane" />
-  <surface coeffs="-6.0" id="11" name="minimum z" type="z-plane" />
-  <surface coeffs="6.0" id="12" name="maximum z" type="z-plane" />
-  <surface boundary="vacuum" coeffs="-15.0" id="13" name="minimum x" type="x-plane" />
-  <surface boundary="vacuum" coeffs="15.0" id="14" name="maximum x" type="x-plane" />
-  <surface boundary="vacuum" coeffs="-15.0" id="15" name="minimum y" type="y-plane" />
-  <surface boundary="vacuum" coeffs="15.0" id="16" name="maximum y" type="y-plane" />
-  <surface boundary="vacuum" coeffs="-15.0" id="17" name="minimum z" type="z-plane" />
-  <surface boundary="vacuum" coeffs="15.0" id="18" name="maximum z" type="z-plane" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-  <material depletable="true" id="1" name="fuel">
-    <density units="g/cc" value="4.5" />
-    <nuclide ao="1.0" name="U235" />
-  </material>
-  <material id="2" name="zircaloy">
-    <density units="g/cc" value="5.77" />
-    <nuclide ao="0.5145" name="Zr90" />
-    <nuclide ao="0.1122" name="Zr91" />
-    <nuclide ao="0.1715" name="Zr92" />
-    <nuclide ao="0.1738" name="Zr94" />
-    <nuclide ao="0.028" name="Zr96" />
-  </material>
-  <material id="3" name="water">
-    <density units="atom/b-cm" value="0.07416" />
-    <nuclide ao="2.0" name="H1" />
-    <nuclide ao="1.0" name="O16" />
-  </material>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>fixed source</run_mode>
-  <particles>1000</particles>
-  <batches>10</batches>
-  <source strength="1.0">
-    <space origin="0.0 0.0 0.0" type="spherical">
-      <r parameters="0.0 0.0" type="uniform" />
-      <cos_theta type="discrete">
-        <parameters>1.0 1.0</parameters>
-      </cos_theta>
-      <phi type="discrete">
-        <parameters>0.0 1.0</parameters>
-      </phi>
-    </space>
-    <energy type="discrete">
-      <parameters>15000000.0 1.0</parameters>
-    </energy>
-  </source>
-</settings>
-<?xml version='1.0' encoding='utf-8'?>
-<tallies>
-  <mesh id="1">
-    <dimension>10 10 10</dimension>
-    <lower_left>-10.0 -10.0 -10.0</lower_left>
-    <upper_right>10.0 10.0 10.0</upper_right>
-  </mesh>
-  <mesh id="2" library="moab" type="unstructured">
-    <filename>test_mesh_tets.e</filename>
-  </mesh>
-  <filter id="1" type="mesh">
-    <bins>1</bins>
-  </filter>
-  <filter id="2" type="mesh">
-    <bins>2</bins>
-  </filter>
-  <tally id="1" name="regular mesh tally">
-    <filters>1</filters>
-    <scores>flux</scores>
-    <estimator>collision</estimator>
-  </tally>
-  <tally id="2" name="unstructured mesh tally">
-    <filters>2</filters>
-    <scores>flux</scores>
-    <estimator>collision</estimator>
-  </tally>
-</tallies>
+<model>
+  <materials>
+    <material depletable="true" id="1" name="fuel">
+      <density units="g/cc" value="4.5" />
+      <nuclide ao="1.0" name="U235" />
+    </material>
+    <material id="2" name="zircaloy">
+      <density units="g/cc" value="5.77" />
+      <nuclide ao="0.5145" name="Zr90" />
+      <nuclide ao="0.1122" name="Zr91" />
+      <nuclide ao="0.1715" name="Zr92" />
+      <nuclide ao="0.1738" name="Zr94" />
+      <nuclide ao="0.028" name="Zr96" />
+    </material>
+    <material id="3" name="water">
+      <density units="atom/b-cm" value="0.07416" />
+      <nuclide ao="2.0" name="H1" />
+      <nuclide ao="1.0" name="O16" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" name="fuel" region="1 -2 3 -4 5 -6" universe="1" />
+    <cell id="2" material="2" name="clad" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1" />
+    <cell id="3" material="3" name="water" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1" />
+    <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane" />
+    <surface coeffs="5.0" id="2" name="maximum x" type="x-plane" />
+    <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane" />
+    <surface coeffs="5.0" id="4" name="maximum y" type="y-plane" />
+    <surface coeffs="-5.0" id="5" name="minimum z" type="z-plane" />
+    <surface coeffs="5.0" id="6" name="maximum z" type="z-plane" />
+    <surface coeffs="-6.0" id="7" name="minimum x" type="x-plane" />
+    <surface coeffs="6.0" id="8" name="maximum x" type="x-plane" />
+    <surface coeffs="-6.0" id="9" name="minimum y" type="y-plane" />
+    <surface coeffs="6.0" id="10" name="maximum y" type="y-plane" />
+    <surface coeffs="-6.0" id="11" name="minimum z" type="z-plane" />
+    <surface coeffs="6.0" id="12" name="maximum z" type="z-plane" />
+    <surface boundary="vacuum" coeffs="-15.0" id="13" name="minimum x" type="x-plane" />
+    <surface boundary="vacuum" coeffs="15.0" id="14" name="maximum x" type="x-plane" />
+    <surface boundary="vacuum" coeffs="-15.0" id="15" name="minimum y" type="y-plane" />
+    <surface boundary="vacuum" coeffs="15.0" id="16" name="maximum y" type="y-plane" />
+    <surface boundary="vacuum" coeffs="-15.0" id="17" name="minimum z" type="z-plane" />
+    <surface boundary="vacuum" coeffs="15.0" id="18" name="maximum z" type="z-plane" />
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>1000</particles>
+    <batches>10</batches>
+    <source strength="1.0">
+      <space origin="0.0 0.0 0.0" type="spherical">
+        <r parameters="0.0 0.0" type="uniform" />
+        <cos_theta type="discrete">
+          <parameters>1.0 1.0</parameters>
+        </cos_theta>
+        <phi type="discrete">
+          <parameters>0.0 1.0</parameters>
+        </phi>
+      </space>
+      <energy type="discrete">
+        <parameters>15000000.0 1.0</parameters>
+      </energy>
+    </source>
+  </settings>
+  <tallies>
+    <mesh id="1">
+      <dimension>10 10 10</dimension>
+      <lower_left>-10.0 -10.0 -10.0</lower_left>
+      <upper_right>10.0 10.0 10.0</upper_right>
+    </mesh>
+    <mesh id="2" library="moab" type="unstructured">
+      <filename>test_mesh_tets.e</filename>
+    </mesh>
+    <filter id="1" type="mesh">
+      <bins>1</bins>
+    </filter>
+    <filter id="2" type="mesh">
+      <bins>2</bins>
+    </filter>
+    <tally id="1" name="regular mesh tally">
+      <filters>1</filters>
+      <scores>flux</scores>
+      <estimator>collision</estimator>
+    </tally>
+    <tally id="2" name="unstructured mesh tally">
+      <filters>2</filters>
+      <scores>flux</scores>
+      <estimator>collision</estimator>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/void/inputs_true.dat b/tests/regression_tests/void/inputs_true.dat
index 644952097..443c168bd 100644
--- a/tests/regression_tests/void/inputs_true.dat
+++ b/tests/regression_tests/void/inputs_true.dat
@@ -1,132 +1,131 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell id="1" material="1" region="-1" universe="1" />
-  <cell id="2" material="void" region="1 -2" universe="1" />
-  <cell id="3" material="1" region="2 -3" universe="1" />
-  <cell id="4" material="void" region="3 -4" universe="1" />
-  <cell id="5" material="1" region="4 -5" universe="1" />
-  <cell id="6" material="void" region="5 -6" universe="1" />
-  <cell id="7" material="1" region="6 -7" universe="1" />
-  <cell id="8" material="void" region="7 -8" universe="1" />
-  <cell id="9" material="1" region="8 -9" universe="1" />
-  <cell id="10" material="void" region="9 -10" universe="1" />
-  <cell id="11" material="1" region="10 -11" universe="1" />
-  <cell id="12" material="void" region="11 -12" universe="1" />
-  <cell id="13" material="1" region="12 -13" universe="1" />
-  <cell id="14" material="void" region="13 -14" universe="1" />
-  <cell id="15" material="1" region="14 -15" universe="1" />
-  <cell id="16" material="void" region="15 -16" universe="1" />
-  <cell id="17" material="1" region="16 -17" universe="1" />
-  <cell id="18" material="void" region="17 -18" universe="1" />
-  <cell id="19" material="1" region="18 -19" universe="1" />
-  <cell id="20" material="void" region="19 -20" universe="1" />
-  <cell id="21" material="1" region="20 -21" universe="1" />
-  <cell id="22" material="void" region="21 -22" universe="1" />
-  <cell id="23" material="1" region="22 -23" universe="1" />
-  <cell id="24" material="void" region="23 -24" universe="1" />
-  <cell id="25" material="1" region="24 -25" universe="1" />
-  <cell id="26" material="void" region="25 -26" universe="1" />
-  <cell id="27" material="1" region="26 -27" universe="1" />
-  <cell id="28" material="void" region="27 -28" universe="1" />
-  <cell id="29" material="1" region="28 -29" universe="1" />
-  <cell id="30" material="void" region="29 -30" universe="1" />
-  <cell id="31" material="1" region="30 -31" universe="1" />
-  <cell id="32" material="void" region="31 -32" universe="1" />
-  <cell id="33" material="1" region="32 -33" universe="1" />
-  <cell id="34" material="void" region="33 -34" universe="1" />
-  <cell id="35" material="1" region="34 -35" universe="1" />
-  <cell id="36" material="void" region="35 -36" universe="1" />
-  <cell id="37" material="1" region="36 -37" universe="1" />
-  <cell id="38" material="void" region="37 -38" universe="1" />
-  <cell id="39" material="1" region="38 -39" universe="1" />
-  <cell id="40" material="void" region="39 -40" universe="1" />
-  <cell id="41" material="1" region="40 -41" universe="1" />
-  <cell id="42" material="void" region="41 -42" universe="1" />
-  <cell id="43" material="1" region="42 -43" universe="1" />
-  <cell id="44" material="void" region="43 -44" universe="1" />
-  <cell id="45" material="1" region="44 -45" universe="1" />
-  <cell id="46" material="void" region="45 -46" universe="1" />
-  <cell id="47" material="1" region="46 -47" universe="1" />
-  <cell id="48" material="void" region="47 -48" universe="1" />
-  <cell id="49" material="1" region="48 -49" universe="1" />
-  <cell id="50" material="void" region="49 -50" universe="1" />
-  <cell id="51" material="1" region="50" universe="1" />
-  <surface coeffs="0.0 0.0 0.0 1.0" id="1" type="sphere" />
-  <surface coeffs="0.0 0.0 0.0 3.020408163265306" id="2" type="sphere" />
-  <surface coeffs="0.0 0.0 0.0 5.040816326530612" id="3" type="sphere" />
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-  <surface boundary="vacuum" coeffs="0.0 0.0 0.0 100.0" id="50" type="sphere" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-  <material id="1">
-    <density units="g/cm3" value="7.14" />
-    <nuclide ao="1.0" name="Zn64" />
-  </material>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>fixed source</run_mode>
-  <particles>1000</particles>
-  <batches>3</batches>
-  <source strength="1.0">
-    <space type="point">
-      <parameters>0.0 0.0 0.0</parameters>
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-</settings>
-<?xml version='1.0' encoding='utf-8'?>
-<tallies>
-  <filter id="1" type="cell">
-    <bins>1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51</bins>
-  </filter>
-  <tally id="1">
-    <filters>1</filters>
-    <scores>total</scores>
-  </tally>
-</tallies>
+<model>
+  <materials>
+    <material id="1">
+      <density units="g/cm3" value="7.14" />
+      <nuclide ao="1.0" name="Zn64" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="-1" universe="1" />
+    <cell id="2" material="void" region="1 -2" universe="1" />
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+    <surface coeffs="0.0 0.0 0.0 1.0" id="1" type="sphere" />
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+    <surface coeffs="0.0 0.0 0.0 97.97959183673468" id="49" type="sphere" />
+    <surface boundary="vacuum" coeffs="0.0 0.0 0.0 100.0" id="50" type="sphere" />
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>1000</particles>
+    <batches>3</batches>
+    <source strength="1.0">
+      <space type="point">
+        <parameters>0.0 0.0 0.0</parameters>
+      </space>
+    </source>
+  </settings>
+  <tallies>
+    <filter id="1" type="cell">
+      <bins>1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51</bins>
+    </filter>
+    <tally id="1">
+      <filters>1</filters>
+      <scores>total</scores>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/volume_calc/inputs_true.dat b/tests/regression_tests/volume_calc/inputs_true.dat
index aaf6d8b00..879e05b8f 100644
--- a/tests/regression_tests/volume_calc/inputs_true.dat
+++ b/tests/regression_tests/volume_calc/inputs_true.dat
@@ -1,75 +1,75 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell id="1" material="2" region="-1 -3 5" universe="0" />
-  <cell id="2" material="1" region="-2 3" universe="0" />
-  <cell id="3" material="1" region="-4 -3" universe="0" />
-  <surface boundary="vacuum" coeffs="0.0 0.0 1.0" id="1" type="z-cylinder" />
-  <surface boundary="vacuum" coeffs="0.0 0.0 5.0 1.0" id="2" type="sphere" />
-  <surface coeffs="5.0" id="3" type="z-plane" />
-  <surface boundary="vacuum" coeffs="0.0 0.0 -5.0 1.0" id="4" type="sphere" />
-  <surface coeffs="-5.0" id="5" type="z-plane" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-  <material id="1">
-    <density units="g/cc" value="1.0" />
-    <nuclide ao="2.0" name="H1" />
-    <nuclide ao="1.0" name="O16" />
-    <nuclide ao="0.0001" name="B10" />
-    <sab name="c_H_in_H2O" />
-  </material>
-  <material depletable="true" id="2">
-    <density units="g/cc" value="4.5" />
-    <nuclide ao="1.0" name="U235" />
-    <nuclide ao="0.1" name="Mo99" />
-  </material>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>volume</run_mode>
-  <volume_calc>
-    <domain_type>cell</domain_type>
-    <domain_ids>1 2 3</domain_ids>
-    <samples>100000</samples>
-    <lower_left>-1.0 -1.0 -6.0</lower_left>
-    <upper_right>1.0 1.0 6.0</upper_right>
-  </volume_calc>
-  <volume_calc>
-    <domain_type>material</domain_type>
-    <domain_ids>1 2</domain_ids>
-    <samples>100000</samples>
-    <lower_left>-1.0 -1.0 -6.0</lower_left>
-    <upper_right>1.0 1.0 6.0</upper_right>
-  </volume_calc>
-  <volume_calc>
-    <domain_type>universe</domain_type>
-    <domain_ids>0</domain_ids>
-    <samples>100000</samples>
-    <lower_left>-1.0 -1.0 -6.0</lower_left>
-    <upper_right>1.0 1.0 6.0</upper_right>
-  </volume_calc>
-  <volume_calc>
-    <domain_type>cell</domain_type>
-    <domain_ids>1 2 3</domain_ids>
-    <samples>100</samples>
-    <lower_left>-1.0 -1.0 -6.0</lower_left>
-    <upper_right>1.0 1.0 6.0</upper_right>
-    <threshold threshold="0.1" type="std_dev" />
-  </volume_calc>
-  <volume_calc>
-    <domain_type>material</domain_type>
-    <domain_ids>1 2</domain_ids>
-    <samples>100</samples>
-    <lower_left>-1.0 -1.0 -6.0</lower_left>
-    <upper_right>1.0 1.0 6.0</upper_right>
-    <threshold threshold="0.1" type="rel_err" />
-  </volume_calc>
-  <volume_calc>
-    <domain_type>cell</domain_type>
-    <domain_ids>1 2 3</domain_ids>
-    <samples>100</samples>
-    <lower_left>-1.0 -1.0 -6.0</lower_left>
-    <upper_right>1.0 1.0 6.0</upper_right>
-    <threshold threshold="0.05" type="variance" />
-  </volume_calc>
-</settings>
+<model>
+  <materials>
+    <material id="1">
+      <density units="g/cc" value="1.0" />
+      <nuclide ao="2.0" name="H1" />
+      <nuclide ao="1.0" name="O16" />
+      <nuclide ao="0.0001" name="B10" />
+      <sab name="c_H_in_H2O" />
+    </material>
+    <material depletable="true" id="2">
+      <density units="g/cc" value="4.5" />
+      <nuclide ao="1.0" name="U235" />
+      <nuclide ao="0.1" name="Mo99" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="2" region="-1 -3 5" universe="0" />
+    <cell id="2" material="1" region="-2 3" universe="0" />
+    <cell id="3" material="1" region="-4 -3" universe="0" />
+    <surface boundary="vacuum" coeffs="0.0 0.0 1.0" id="1" type="z-cylinder" />
+    <surface boundary="vacuum" coeffs="0.0 0.0 5.0 1.0" id="2" type="sphere" />
+    <surface coeffs="5.0" id="3" type="z-plane" />
+    <surface boundary="vacuum" coeffs="0.0 0.0 -5.0 1.0" id="4" type="sphere" />
+    <surface coeffs="-5.0" id="5" type="z-plane" />
+  </geometry>
+  <settings>
+    <run_mode>volume</run_mode>
+    <volume_calc>
+      <domain_type>cell</domain_type>
+      <domain_ids>1 2 3</domain_ids>
+      <samples>100000</samples>
+      <lower_left>-1.0 -1.0 -6.0</lower_left>
+      <upper_right>1.0 1.0 6.0</upper_right>
+    </volume_calc>
+    <volume_calc>
+      <domain_type>material</domain_type>
+      <domain_ids>1 2</domain_ids>
+      <samples>100000</samples>
+      <lower_left>-1.0 -1.0 -6.0</lower_left>
+      <upper_right>1.0 1.0 6.0</upper_right>
+    </volume_calc>
+    <volume_calc>
+      <domain_type>universe</domain_type>
+      <domain_ids>0</domain_ids>
+      <samples>100000</samples>
+      <lower_left>-1.0 -1.0 -6.0</lower_left>
+      <upper_right>1.0 1.0 6.0</upper_right>
+    </volume_calc>
+    <volume_calc>
+      <domain_type>cell</domain_type>
+      <domain_ids>1 2 3</domain_ids>
+      <samples>100</samples>
+      <lower_left>-1.0 -1.0 -6.0</lower_left>
+      <upper_right>1.0 1.0 6.0</upper_right>
+      <threshold threshold="0.1" type="std_dev" />
+    </volume_calc>
+    <volume_calc>
+      <domain_type>material</domain_type>
+      <domain_ids>1 2</domain_ids>
+      <samples>100</samples>
+      <lower_left>-1.0 -1.0 -6.0</lower_left>
+      <upper_right>1.0 1.0 6.0</upper_right>
+      <threshold threshold="0.1" type="rel_err" />
+    </volume_calc>
+    <volume_calc>
+      <domain_type>cell</domain_type>
+      <domain_ids>1 2 3</domain_ids>
+      <samples>100</samples>
+      <lower_left>-1.0 -1.0 -6.0</lower_left>
+      <upper_right>1.0 1.0 6.0</upper_right>
+      <threshold threshold="0.05" type="variance" />
+    </volume_calc>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/volume_calc/inputs_true_mg.dat b/tests/regression_tests/volume_calc/inputs_true_mg.dat
index 21c2a9834..f114bd8c2 100644
--- a/tests/regression_tests/volume_calc/inputs_true_mg.dat
+++ b/tests/regression_tests/volume_calc/inputs_true_mg.dat
@@ -1,76 +1,76 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell id="1" material="2" region="-1 -3 5" universe="0" />
-  <cell id="2" material="1" region="-2 3" universe="0" />
-  <cell id="3" material="1" region="-4 -3" universe="0" />
-  <surface boundary="vacuum" coeffs="0.0 0.0 1.0" id="1" type="z-cylinder" />
-  <surface boundary="vacuum" coeffs="0.0 0.0 5.0 1.0" id="2" type="sphere" />
-  <surface coeffs="5.0" id="3" type="z-plane" />
-  <surface boundary="vacuum" coeffs="0.0 0.0 -5.0 1.0" id="4" type="sphere" />
-  <surface coeffs="-5.0" id="5" type="z-plane" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-  <cross_sections>mg_lib.h5</cross_sections>
-  <material id="1">
-    <density units="g/cc" value="1.0" />
-    <nuclide ao="2.0" name="H1" />
-    <nuclide ao="1.0" name="O16" />
-    <nuclide ao="0.0001" name="B10" />
-  </material>
-  <material depletable="true" id="2">
-    <density units="g/cc" value="4.5" />
-    <nuclide ao="1.0" name="U235" />
-    <nuclide ao="0.1" name="Mo99" />
-  </material>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>volume</run_mode>
-  <energy_mode>multi-group</energy_mode>
-  <volume_calc>
-    <domain_type>cell</domain_type>
-    <domain_ids>1 2 3</domain_ids>
-    <samples>100000</samples>
-    <lower_left>-1.0 -1.0 -6.0</lower_left>
-    <upper_right>1.0 1.0 6.0</upper_right>
-  </volume_calc>
-  <volume_calc>
-    <domain_type>material</domain_type>
-    <domain_ids>1 2</domain_ids>
-    <samples>100000</samples>
-    <lower_left>-1.0 -1.0 -6.0</lower_left>
-    <upper_right>1.0 1.0 6.0</upper_right>
-  </volume_calc>
-  <volume_calc>
-    <domain_type>universe</domain_type>
-    <domain_ids>0</domain_ids>
-    <samples>100000</samples>
-    <lower_left>-1.0 -1.0 -6.0</lower_left>
-    <upper_right>1.0 1.0 6.0</upper_right>
-  </volume_calc>
-  <volume_calc>
-    <domain_type>cell</domain_type>
-    <domain_ids>1 2 3</domain_ids>
-    <samples>100</samples>
-    <lower_left>-1.0 -1.0 -6.0</lower_left>
-    <upper_right>1.0 1.0 6.0</upper_right>
-    <threshold threshold="0.1" type="std_dev" />
-  </volume_calc>
-  <volume_calc>
-    <domain_type>material</domain_type>
-    <domain_ids>1 2</domain_ids>
-    <samples>100</samples>
-    <lower_left>-1.0 -1.0 -6.0</lower_left>
-    <upper_right>1.0 1.0 6.0</upper_right>
-    <threshold threshold="0.1" type="rel_err" />
-  </volume_calc>
-  <volume_calc>
-    <domain_type>cell</domain_type>
-    <domain_ids>1 2 3</domain_ids>
-    <samples>100</samples>
-    <lower_left>-1.0 -1.0 -6.0</lower_left>
-    <upper_right>1.0 1.0 6.0</upper_right>
-    <threshold threshold="0.05" type="variance" />
-  </volume_calc>
-</settings>
+<model>
+  <materials>
+    <cross_sections>mg_lib.h5</cross_sections>
+    <material id="1">
+      <density units="g/cc" value="1.0" />
+      <nuclide ao="2.0" name="H1" />
+      <nuclide ao="1.0" name="O16" />
+      <nuclide ao="0.0001" name="B10" />
+    </material>
+    <material depletable="true" id="2">
+      <density units="g/cc" value="4.5" />
+      <nuclide ao="1.0" name="U235" />
+      <nuclide ao="0.1" name="Mo99" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="2" region="-1 -3 5" universe="0" />
+    <cell id="2" material="1" region="-2 3" universe="0" />
+    <cell id="3" material="1" region="-4 -3" universe="0" />
+    <surface boundary="vacuum" coeffs="0.0 0.0 1.0" id="1" type="z-cylinder" />
+    <surface boundary="vacuum" coeffs="0.0 0.0 5.0 1.0" id="2" type="sphere" />
+    <surface coeffs="5.0" id="3" type="z-plane" />
+    <surface boundary="vacuum" coeffs="0.0 0.0 -5.0 1.0" id="4" type="sphere" />
+    <surface coeffs="-5.0" id="5" type="z-plane" />
+  </geometry>
+  <settings>
+    <run_mode>volume</run_mode>
+    <energy_mode>multi-group</energy_mode>
+    <volume_calc>
+      <domain_type>cell</domain_type>
+      <domain_ids>1 2 3</domain_ids>
+      <samples>100000</samples>
+      <lower_left>-1.0 -1.0 -6.0</lower_left>
+      <upper_right>1.0 1.0 6.0</upper_right>
+    </volume_calc>
+    <volume_calc>
+      <domain_type>material</domain_type>
+      <domain_ids>1 2</domain_ids>
+      <samples>100000</samples>
+      <lower_left>-1.0 -1.0 -6.0</lower_left>
+      <upper_right>1.0 1.0 6.0</upper_right>
+    </volume_calc>
+    <volume_calc>
+      <domain_type>universe</domain_type>
+      <domain_ids>0</domain_ids>
+      <samples>100000</samples>
+      <lower_left>-1.0 -1.0 -6.0</lower_left>
+      <upper_right>1.0 1.0 6.0</upper_right>
+    </volume_calc>
+    <volume_calc>
+      <domain_type>cell</domain_type>
+      <domain_ids>1 2 3</domain_ids>
+      <samples>100</samples>
+      <lower_left>-1.0 -1.0 -6.0</lower_left>
+      <upper_right>1.0 1.0 6.0</upper_right>
+      <threshold threshold="0.1" type="std_dev" />
+    </volume_calc>
+    <volume_calc>
+      <domain_type>material</domain_type>
+      <domain_ids>1 2</domain_ids>
+      <samples>100</samples>
+      <lower_left>-1.0 -1.0 -6.0</lower_left>
+      <upper_right>1.0 1.0 6.0</upper_right>
+      <threshold threshold="0.1" type="rel_err" />
+    </volume_calc>
+    <volume_calc>
+      <domain_type>cell</domain_type>
+      <domain_ids>1 2 3</domain_ids>
+      <samples>100</samples>
+      <lower_left>-1.0 -1.0 -6.0</lower_left>
+      <upper_right>1.0 1.0 6.0</upper_right>
+      <threshold threshold="0.05" type="variance" />
+    </volume_calc>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/volume_calc/test.py b/tests/regression_tests/volume_calc/test.py
index e04eac7ff..c94d16c79 100644
--- a/tests/regression_tests/volume_calc/test.py
+++ b/tests/regression_tests/volume_calc/test.py
@@ -21,7 +21,6 @@ class VolumeTest(PyAPITestHarness):
         if not is_ce:
             self.inputs_true = 'inputs_true_mg.dat'
 
-    def _build_inputs(self):
         # Define materials
         water = openmc.Material(1)
         water.add_nuclide('H1', 2.0)
@@ -39,7 +38,7 @@ class VolumeTest(PyAPITestHarness):
         materials = openmc.Materials((water, fuel))
         if not self.is_ce:
             materials.cross_sections = 'mg_lib.h5'
-        materials.export_to_xml()
+        self._model.materials = materials
 
         cyl = openmc.ZCylinder(surface_id=1, r=1.0, boundary_type='vacuum')
         top_sphere = openmc.Sphere(surface_id=2, z0=5., r=1., boundary_type='vacuum')
@@ -53,8 +52,7 @@ class VolumeTest(PyAPITestHarness):
         bottom_hemisphere = openmc.Cell(3, fill=water, region=-bottom_sphere & -top_plane)
         root = openmc.Universe(0, cells=(inside_cyl, top_hemisphere, bottom_hemisphere))
 
-        geometry = openmc.Geometry(root)
-        geometry.export_to_xml()
+        self._model.geometry = openmc.Geometry(root)
 
         # Set up stochastic volume calculation
         ll, ur = root.bounding_box
@@ -79,7 +77,7 @@ class VolumeTest(PyAPITestHarness):
         if not self.is_ce:
             settings.energy_mode = 'multi-group'
         settings.volume_calculations = vol_calcs
-        settings.export_to_xml()
+        self._model.settings = settings
 
         # Create the MGXS file if necessary
         if not self.is_ce:
@@ -170,5 +168,5 @@ class VolumeTest(PyAPITestHarness):
 
 @pytest.mark.parametrize('is_ce', [True, False])
 def test_volume_calc(is_ce):
-    harness = VolumeTest(is_ce, '')
+    harness = VolumeTest(is_ce, '', model=openmc.Model())
     harness.main()
diff --git a/tests/regression_tests/weightwindows/inputs_true.dat b/tests/regression_tests/weightwindows/inputs_true.dat
index eb42baddf..16f03a4a0 100644
--- a/tests/regression_tests/weightwindows/inputs_true.dat
+++ b/tests/regression_tests/weightwindows/inputs_true.dat
@@ -1,96 +1,95 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell id="1" material="1" region="-1" universe="1" />
-  <cell id="2" material="void" region="1 -2" universe="1" />
-  <surface coeffs="0.0 0.0 0.0 240" id="1" type="sphere" />
-  <surface boundary="vacuum" coeffs="0.0 0.0 0.0 250" id="2" type="sphere" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-  <material id="1">
-    <density units="g/cc" value="2.3" />
-    <nuclide ao="0.168018676" name="H1" />
-    <nuclide ao="1.93244e-05" name="H2" />
-    <nuclide ao="0.561814465" name="O16" />
-    <nuclide ao="0.00021401" name="O17" />
-    <nuclide ao="0.021365" name="Na23" />
-    <nuclide ao="0.021343" name="Al27" />
-    <nuclide ao="0.187439342" name="Si28" />
-    <nuclide ao="0.009517714" name="Si29" />
-    <nuclide ao="0.006273944" name="Si30" />
-    <nuclide ao="0.018026179" name="Ca40" />
-    <nuclide ao="0.00012031" name="Ca42" />
-    <nuclide ao="2.51033e-05" name="Ca43" />
-    <nuclide ao="0.000387892" name="Ca44" />
-    <nuclide ao="7.438e-07" name="Ca46" />
-    <nuclide ao="3.47727e-05" name="Ca48" />
-    <nuclide ao="0.000248179" name="Fe54" />
-    <nuclide ao="0.003895875" name="Fe56" />
-    <nuclide ao="8.99727e-05" name="Fe57" />
-    <nuclide ao="1.19737e-05" name="Fe58" />
-  </material>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>fixed source</run_mode>
-  <particles>200</particles>
-  <batches>2</batches>
-  <source strength="1.0">
-    <space type="point">
-      <parameters>0.001 0.001 0.001</parameters>
-    </space>
-    <energy type="discrete">
-      <parameters>14000000.0 1.0</parameters>
-    </energy>
-  </source>
-  <photon_transport>true</photon_transport>
-  <weight_windows id="1">
-    <mesh>2</mesh>
-    <particle_type>neutron</particle_type>
-    <energy_bounds>0.0 0.5 20000000.0</energy_bounds>
-    <lower_ww_bounds>-1.0 0.007673145137236567 6.542700644645627e-07 0.0017541380096893788 0.0007245451610090619 7.476545089278482e-06 2.253382683081525e-06 2.1040609012865134e-05 0.08285899874014539 -1.0 1.0262431550731535e-13 3.3164825349503764e-16 0.0064803314120165335 3.5981031766416143e-06 -1.0 1.6205064883026195e-11 1.7770136411255912e-05 0.0001670700632870335 4.323138781337963e-05 -1.0 -1.0 6.922231352729155e-05 0.06550426960512012 -1.0 2.5639656866250453e-06 1.4508262073256659e-13 -1.0 -1.0 0.0009127050763987511 3.8523247550378815e-12 -1.0 0.0008175033526488423 -1.0 0.015148978428271613 2.5157355790201773e-07 2.1612150425221703e-06 1.3181562352445092e-10 2.9282097947816224e-05 2.762955748645507e-05 2.936268747135548e-14 1.6859219614058024e-19 3.937160538176268e-07 2.6011787393916806e-06 0.001570829313580841 -1.0 1.7041669224797384e-09 1.6421491993751715e-11 0.4899999304038166 6.948292975998466e-07 -1.0 -1.0 0.08657573566388353 0.006639379668946672 1.681305446488884e-11 2.2487617828938326e-05 4.109066205029878e-05 0.08288806458368345 -1.0 0.007385384405891666 -1.0 -1.0 1.008394964750947e-06 6.655926357459275e-08 0.0016279794552427574 1.4825219199133353e-12 -1.0 1.93847081892941e-05 1.284759166582202e-05 5.1161740516205715e-05 2.5447281241730366e-07 3.853097455417877e-06 -1.0 8.887234042637684e-05 0.01621821782442112 -1.0 1.8747824667478637e-14 5.97653814110781e-06 -1.0 -1.0 1.2296747260635405e-06 -1.0 -1.0 7.754700849337902e-06 7.091263906557291e-05 3.2799045883372075e-06 0.00020573181450240786 5.6949597066784976e-05 1.271128669411295e-07 0.0010019432401508087 -1.0 -1.0 6.848642863465585e-07 5.783974359937857e-06 2.380955631371226e-06 4.756872959630257e-05 2.1360401784344975e-18 0.00046029617115127556 1.0092905083158804e-11 0.08095280568305474 3.89841667138598e-08 4.354946981329799e-05 -1.0 0.5 0.0015447823995470042 -1.0 -1.0 0.001959411999677113 0.48573842213878143 -1.0 7.962899789920809e-06 5.619835883512353e-14 0.0835648710074336 2.7207433165796702e-11 0.00027464244062887683 4.076762579823379e-17 2.124999182004655e-05 8.037131813528501e-07 8.846493399850663e-06 1.080711295768551e-05 -1.0 -1.0 0.0010737081832502356 2.679340942769232e-06 2.1648918040467363e-05 0.0002668579837809081 1.3455341306162382e-05 2.5629068330446215e-05 1.3228013765525015e-05 -1.0 -1.0 7.002861620919232e-08 1.5172912057312398e-14 -1.0 7.989579285134734e-06 2.639268952045579e-10 -1.0 0.013330619853379314 0.00021534568699157805 2.4469456008493614e-09 8.211982683649991e-09 1.951356547084204e-15 0.00016419031150495913 5.985108617124989e-06 1.28584557092134e-05 1.5476769237571295e-14 5.5379154134462336e-08 0.0016637126543321873 2.499931357628383e-07 8.020767115181574e-07 2.7697233171399416e-13 -1.0 0.007197662162700777 -1.0 0.0833931797381589 2.8226276944532696e-05 3.353295403842037e-05 5.504813693036933e-12 0.007136750029575816 0.08636569925236791 -1.0 -1.0 6.315154082213375e-07 0.4877856021170283 -1.0 3.7051518220083886e-06 -1.0 0.0017950613169359904 7.84289689494925e-06 9.041149893307806e-07 -1.0 8.48176145671274e-10 9.03108551826469e-05 3.634644995026692e-05 2.0295213621716706e-09 1.0305672698745657e-11 1.5550455959178486e-06 0.01664109232689093 8.533030345699353e-17 0.0009252532821720597 -1.0 7.695031155172816e-14 0.0007151459162818186 -1.0 -1.0 5.182269672663266e-10 3.0160758454323657e-07 -1.0 0.06539005235506369 3.452537179033895e-05 -1.0 -1.0 3.855884234344845e-06 0.00017699858357744463 2.594951085377588e-06 1.1333627604823673e-09 -1.0 2.4306375693722205e-06 0.0063790654507599135 2.2060992580622125e-11 -1.0 -1.0 0.0848872967381878 3.932389299316285e-06 1.2911827198500372e-08 1.957092814065688e-05 0.0007213722022489493 0.0018327593437608 1.6699254277734109e-06 0.007188410694198128 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0</lower_ww_bounds>
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+      <survival_ratio>3</survival_ratio>
+      <max_lower_bound_ratio>1.5</max_lower_bound_ratio>
+      <max_split>10</max_split>
+      <weight_cutoff>1e-38</weight_cutoff>
+    </weight_windows>
+    <max_splits>200</max_splits>
+  </settings>
+  <tallies>
+    <mesh id="1">
+      <dimension>5 10 15</dimension>
+      <lower_left>-240 -240 -240</lower_left>
+      <upper_right>240 240 240</upper_right>
+    </mesh>
+    <filter id="1" type="mesh">
+      <bins>1</bins>
+    </filter>
+    <filter id="2" type="energy">
+      <bins>0.0 0.5 20000000.0</bins>
+    </filter>
+    <filter id="3" type="particle">
+      <bins>neutron photon</bins>
+    </filter>
+    <tally id="1">
+      <filters>1 2 3</filters>
+      <scores>flux</scores>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/testing_harness.py b/tests/testing_harness.py
index 0525dd476..157f6e640 100644
--- a/tests/testing_harness.py
+++ b/tests/testing_harness.py
@@ -336,12 +336,11 @@ class PyAPITestHarness(TestHarness):
 
     def _build_inputs(self):
         """Write input XML files."""
-        self._model.export_to_xml()
+        self._model.export_to_model_xml()
 
     def _get_inputs(self):
         """Return a hash digest of the input XML files."""
-        xmls = ['geometry.xml', 'materials.xml', 'settings.xml',
-                'tallies.xml', 'plots.xml']
+        xmls = ['model.xml', 'plots.xml']
         return ''.join([open(fname).read() for fname in xmls
                         if os.path.exists(fname)])
 
@@ -371,7 +370,7 @@ class PyAPITestHarness(TestHarness):
         """Delete XMLs, statepoints, tally, and test files."""
         super()._cleanup()
         output = ['materials.xml', 'geometry.xml', 'settings.xml',
-                  'tallies.xml', 'plots.xml', 'inputs_test.dat']
+                  'tallies.xml', 'plots.xml', 'inputs_test.dat', 'model.xml']
         for f in output:
             if os.path.exists(f):
                 os.remove(f)

From 00657ccf871ba6a4ea4d1d0cdd1ed087ba838120 Mon Sep 17 00:00:00 2001
From: guyshtot <guyshtot@gmail.com>
Date: Sat, 25 Mar 2023 13:50:06 +0300
Subject: [PATCH 1672/2654] Update openmc/mgxs/library.py

apply CR suggestion

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/mgxs/library.py | 6 +++---
 1 file changed, 3 insertions(+), 3 deletions(-)

diff --git a/openmc/mgxs/library.py b/openmc/mgxs/library.py
index 1c3a5dbb4..8ab052b0d 100644
--- a/openmc/mgxs/library.py
+++ b/openmc/mgxs/library.py
@@ -548,9 +548,9 @@ class Library:
                     if self.nuclides:
                         if domain_nuclides:
                             mgxs.nuclides = [
-                                                nuclide for nuclide in self.nuclides
-                                                if nuclide in domain_nuclides
-                                            ] + ["total"]
+                                nuclide for nuclide in self.nuclides
+                                if nuclide in domain_nuclides
+                            ] + ["total"]
                         else:
                             mgxs.nuclides = self.nuclides
 

From ff9d2283c428a0fe435c5fc2867426f818d18d21 Mon Sep 17 00:00:00 2001
From: guyshtot <guyshtot@gmail.com>
Date: Sat, 25 Mar 2023 13:52:23 +0300
Subject: [PATCH 1673/2654] Update
 tests/regression_tests/mgxs_library_specific_nuclides/test.py

Remove double spaces at MGXS types in a test

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 .../regression_tests/mgxs_library_specific_nuclides/test.py | 6 +++---
 1 file changed, 3 insertions(+), 3 deletions(-)

diff --git a/tests/regression_tests/mgxs_library_specific_nuclides/test.py b/tests/regression_tests/mgxs_library_specific_nuclides/test.py
index 41ae0a689..e749ca137 100644
--- a/tests/regression_tests/mgxs_library_specific_nuclides/test.py
+++ b/tests/regression_tests/mgxs_library_specific_nuclides/test.py
@@ -25,9 +25,9 @@ class MGXSTestHarness(PyAPITestHarness):
         # openmc.mgxs.ARBITRARY_MATRIX_TYPES so we can see the code works,
         # but not use too much resources
         relevant_MGXS_TYPES += [
-            "(n,elastic)",  "(n,level)",  "(n,2n)",  "(n,na)",  "(n,nc)",
-            "(n,gamma)",  "(n,a)",  "(n,Xa)",  "heating",  "damage-energy",
-            "(n,n1)",  "(n,a0)",  "(n,nc) matrix",  "(n,n1) matrix",
+            "(n,elastic)", "(n,level)", "(n,2n)", "(n,na)", "(n,nc)",
+            "(n,gamma)", "(n,a)", "(n,Xa)", "heating", "damage-energy",
+            "(n,n1)", "(n,a0)", "(n,nc) matrix", "(n,n1) matrix",
             "(n,2n) matrix"]
         self.mgxs_lib.mgxs_types = tuple(relevant_MGXS_TYPES)
         self.mgxs_lib.energy_groups = energy_groups

From 4e7cae8b9858db63fc8e2806c997dc90311e3958 Mon Sep 17 00:00:00 2001
From: guyshtot <guyshtot@gmail.com>
Date: Sat, 25 Mar 2023 13:52:37 +0300
Subject: [PATCH 1674/2654] Update
 tests/regression_tests/mgxs_library_specific_nuclides/test.py

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 tests/regression_tests/mgxs_library_specific_nuclides/test.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/tests/regression_tests/mgxs_library_specific_nuclides/test.py b/tests/regression_tests/mgxs_library_specific_nuclides/test.py
index e749ca137..9af2ce17c 100644
--- a/tests/regression_tests/mgxs_library_specific_nuclides/test.py
+++ b/tests/regression_tests/mgxs_library_specific_nuclides/test.py
@@ -33,7 +33,7 @@ class MGXSTestHarness(PyAPITestHarness):
         self.mgxs_lib.energy_groups = energy_groups
         self.mgxs_lib.legendre_order = 3
         self.mgxs_lib.domain_type = 'material'
-        self.mgxs_lib.nuclides=['U235','Zr90','H1']
+        self.mgxs_lib.nuclides = ['U235', 'Zr90', 'H1']
         self.mgxs_lib.build_library()
 
         # Add tallies

From 3d1811a64a9f168d003ce6791a5b7da6c0bfd906 Mon Sep 17 00:00:00 2001
From: guyshtot <guyshtot@gmail.com>
Date: Sat, 25 Mar 2023 13:57:08 +0300
Subject: [PATCH 1675/2654] Changed merge=False to merge=True in
 mgxs_library_specific_nucides test to speed up the test.

---
 .../inputs_true.dat                           | 1691 +----------------
 .../mgxs_library_specific_nuclides/test.py    |    2 +-
 2 files changed, 71 insertions(+), 1622 deletions(-)

diff --git a/tests/regression_tests/mgxs_library_specific_nuclides/inputs_true.dat b/tests/regression_tests/mgxs_library_specific_nuclides/inputs_true.dat
index 205eb059c..061aa1b95 100644
--- a/tests/regression_tests/mgxs_library_specific_nuclides/inputs_true.dat
+++ b/tests/regression_tests/mgxs_library_specific_nuclides/inputs_true.dat
@@ -50,12 +50,15 @@
 </settings>
 <?xml version='1.0' encoding='utf-8'?>
 <tallies>
-  <filter id="1" type="material">
-    <bins>1</bins>
+  <filter id="383" type="material">
+    <bins>1 2 3</bins>
   </filter>
   <filter id="2" type="energy">
     <bins>0.0 0.625 20000000.0</bins>
   </filter>
+  <filter id="1" type="material">
+    <bins>1</bins>
+  </filter>
   <filter id="5" type="energyout">
     <bins>0.0 0.625 20000000.0</bins>
   </filter>
@@ -71,1699 +74,145 @@
   <filter id="106" type="material">
     <bins>2</bins>
   </filter>
-  <filter id="211" type="material">
+  <filter id="251" type="material">
     <bins>3</bins>
   </filter>
-  <tally id="1">
-    <filters>1 2</filters>
+  <tally id="528">
+    <filters>383 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="2">
+  <tally id="167">
     <filters>1 2</filters>
     <nuclides>U235 total</nuclides>
-    <scores>total</scores>
+    <scores>total absorption (n,2n) (n,3n) (n,4n) fission nu-fission kappa-fission scatter inverse-velocity prompt-nu-fission (n,elastic) (n,level) (n,na) (n,nc) (n,gamma) (n,a) (n,Xa) heating damage-energy (n,n1) (n,a0)</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="3">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="4">
-    <filters>1 2</filters>
-    <nuclides>U235 total</nuclides>
-    <scores>total</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="5">
-    <filters>1 2</filters>
+  <tally id="540">
+    <filters>383 2</filters>
     <nuclides>total</nuclides>
     <scores>flux</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="6">
+  <tally id="119">
     <filters>1 5 6</filters>
     <nuclides>U235 total</nuclides>
-    <scores>scatter</scores>
+    <scores>scatter nu-scatter</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="7">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="8">
-    <filters>1 2</filters>
-    <nuclides>U235 total</nuclides>
-    <scores>total</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="9">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="10">
-    <filters>1 5 6</filters>
-    <nuclides>U235 total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="11">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="12">
-    <filters>1 2</filters>
-    <nuclides>U235 total</nuclides>
-    <scores>absorption</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="13">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="14">
-    <filters>1 2</filters>
-    <nuclides>U235 total</nuclides>
-    <scores>absorption</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="15">
-    <filters>1 2</filters>
-    <nuclides>U235 total</nuclides>
-    <scores>(n,2n)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="16">
-    <filters>1 2</filters>
-    <nuclides>U235 total</nuclides>
-    <scores>(n,3n)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="17">
-    <filters>1 2</filters>
-    <nuclides>U235 total</nuclides>
-    <scores>(n,4n)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="18">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="19">
-    <filters>1 2</filters>
-    <nuclides>U235 total</nuclides>
-    <scores>absorption</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="20">
-    <filters>1 2</filters>
-    <nuclides>U235 total</nuclides>
-    <scores>fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="21">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="22">
-    <filters>1 2</filters>
-    <nuclides>U235 total</nuclides>
-    <scores>fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="23">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="24">
-    <filters>1 2</filters>
-    <nuclides>U235 total</nuclides>
-    <scores>nu-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="25">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="26">
-    <filters>1 2</filters>
-    <nuclides>U235 total</nuclides>
-    <scores>kappa-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="27">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="28">
-    <filters>1 2</filters>
-    <nuclides>U235 total</nuclides>
-    <scores>scatter</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="29">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="30">
-    <filters>1 2</filters>
-    <nuclides>U235 total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="31">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="32">
-    <filters>1 2 5 30</filters>
-    <nuclides>U235 total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="33">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="34">
-    <filters>1 2 5 30</filters>
-    <nuclides>U235 total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="35">
-    <filters>1 2 5</filters>
-    <nuclides>U235 total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="36">
-    <filters>1 2 5</filters>
-    <nuclides>U235 total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="37">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="38">
-    <filters>1 2 5</filters>
-    <nuclides>U235 total</nuclides>
-    <scores>nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="39">
-    <filters>1 2 5</filters>
-    <nuclides>U235 total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="40">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="41">
-    <filters>1 2</filters>
-    <nuclides>U235 total</nuclides>
-    <scores>scatter</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="42">
-    <filters>1 2 5 30</filters>
-    <nuclides>U235 total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="43">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="44">
-    <filters>1 2</filters>
-    <nuclides>U235 total</nuclides>
-    <scores>scatter</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="45">
-    <filters>1 2 5 30</filters>
-    <nuclides>U235 total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="46">
-    <filters>1 2 5</filters>
-    <nuclides>U235 total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="47">
-    <filters>1 54</filters>
-    <nuclides>U235 total</nuclides>
-    <scores>nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="48">
-    <filters>1 5</filters>
-    <nuclides>U235 total</nuclides>
-    <scores>nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="49">
-    <filters>1 54</filters>
-    <nuclides>U235 total</nuclides>
-    <scores>prompt-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="50">
-    <filters>1 5</filters>
-    <nuclides>U235 total</nuclides>
-    <scores>prompt-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="51">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="52">
-    <filters>1 2</filters>
-    <nuclides>U235 total</nuclides>
-    <scores>inverse-velocity</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="53">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
   <tally id="54">
     <filters>1 2</filters>
     <nuclides>U235 total</nuclides>
-    <scores>prompt-nu-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="55">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="56">
-    <filters>1 2 5</filters>
-    <nuclides>U235 total</nuclides>
-    <scores>prompt-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="57">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="58">
-    <filters>1 2</filters>
-    <nuclides>U235 total</nuclides>
-    <scores>total</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="59">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="60">
-    <filters>1 5 6</filters>
-    <nuclides>U235 total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="61">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="62">
-    <filters>1 2</filters>
-    <nuclides>U235 total</nuclides>
-    <scores>total</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="63">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="64">
-    <filters>1 5 6</filters>
-    <nuclides>U235 total</nuclides>
     <scores>nu-scatter</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="65">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="66">
-    <filters>1 2</filters>
-    <nuclides>U235 total</nuclides>
-    <scores>(n,elastic)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="67">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="68">
-    <filters>1 2</filters>
-    <nuclides>U235 total</nuclides>
-    <scores>(n,level)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="69">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="70">
-    <filters>1 2</filters>
-    <nuclides>U235 total</nuclides>
-    <scores>(n,2n)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="71">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="72">
-    <filters>1 2</filters>
-    <nuclides>U235 total</nuclides>
-    <scores>(n,na)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="73">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="74">
-    <filters>1 2</filters>
-    <nuclides>U235 total</nuclides>
-    <scores>(n,nc)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="75">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="76">
-    <filters>1 2</filters>
-    <nuclides>U235 total</nuclides>
-    <scores>(n,gamma)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="77">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="78">
-    <filters>1 2</filters>
-    <nuclides>U235 total</nuclides>
-    <scores>(n,a)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="79">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="80">
-    <filters>1 2</filters>
-    <nuclides>U235 total</nuclides>
-    <scores>(n,Xa)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="81">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="82">
-    <filters>1 2</filters>
-    <nuclides>U235 total</nuclides>
-    <scores>heating</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="83">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
   <tally id="84">
-    <filters>1 2</filters>
+    <filters>1 2 5 30</filters>
     <nuclides>U235 total</nuclides>
-    <scores>damage-energy</scores>
-    <estimator>tracklength</estimator>
+    <scores>scatter nu-scatter</scores>
+    <estimator>analog</estimator>
   </tally>
-  <tally id="85">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="86">
-    <filters>1 2</filters>
+  <tally id="179">
+    <filters>1 2 5</filters>
     <nuclides>U235 total</nuclides>
-    <scores>(n,n1)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="87">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="88">
-    <filters>1 2</filters>
-    <nuclides>U235 total</nuclides>
-    <scores>(n,a0)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="89">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
+    <scores>nu-scatter scatter nu-fission prompt-nu-fission (n,nc) (n,n1) (n,2n)</scores>
     <estimator>analog</estimator>
   </tally>
   <tally id="90">
-    <filters>1 2 5</filters>
+    <filters>1 54</filters>
     <nuclides>U235 total</nuclides>
-    <scores>(n,nc)</scores>
+    <scores>nu-fission prompt-nu-fission</scores>
     <estimator>analog</estimator>
   </tally>
   <tally id="91">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="92">
-    <filters>1 2 5</filters>
+    <filters>1 5</filters>
     <nuclides>U235 total</nuclides>
-    <scores>(n,n1)</scores>
+    <scores>nu-fission prompt-nu-fission</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="93">
-    <filters>1 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="94">
-    <filters>1 2 5</filters>
-    <nuclides>U235 total</nuclides>
-    <scores>(n,2n)</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="95">
-    <filters>106 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="96">
+  <tally id="348">
     <filters>106 2</filters>
     <nuclides>Zr90 total</nuclides>
-    <scores>total</scores>
+    <scores>total absorption (n,2n) (n,3n) (n,4n) fission nu-fission kappa-fission scatter inverse-velocity prompt-nu-fission (n,elastic) (n,level) (n,na) (n,nc) (n,gamma) (n,a) (n,Xa) heating damage-energy (n,n1) (n,a0)</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="97">
-    <filters>106 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="98">
-    <filters>106 2</filters>
-    <nuclides>Zr90 total</nuclides>
-    <scores>total</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="99">
-    <filters>106 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="100">
+  <tally id="300">
     <filters>106 5 6</filters>
     <nuclides>Zr90 total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="101">
-    <filters>106 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="102">
-    <filters>106 2</filters>
-    <nuclides>Zr90 total</nuclides>
-    <scores>total</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="103">
-    <filters>106 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="104">
-    <filters>106 5 6</filters>
-    <nuclides>Zr90 total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="105">
-    <filters>106 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="106">
-    <filters>106 2</filters>
-    <nuclides>Zr90 total</nuclides>
-    <scores>absorption</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="107">
-    <filters>106 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="108">
-    <filters>106 2</filters>
-    <nuclides>Zr90 total</nuclides>
-    <scores>absorption</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="109">
-    <filters>106 2</filters>
-    <nuclides>Zr90 total</nuclides>
-    <scores>(n,2n)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="110">
-    <filters>106 2</filters>
-    <nuclides>Zr90 total</nuclides>
-    <scores>(n,3n)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="111">
-    <filters>106 2</filters>
-    <nuclides>Zr90 total</nuclides>
-    <scores>(n,4n)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="112">
-    <filters>106 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="113">
-    <filters>106 2</filters>
-    <nuclides>Zr90 total</nuclides>
-    <scores>absorption</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="114">
-    <filters>106 2</filters>
-    <nuclides>Zr90 total</nuclides>
-    <scores>fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="115">
-    <filters>106 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="116">
-    <filters>106 2</filters>
-    <nuclides>Zr90 total</nuclides>
-    <scores>fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="117">
-    <filters>106 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="118">
-    <filters>106 2</filters>
-    <nuclides>Zr90 total</nuclides>
-    <scores>nu-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="119">
-    <filters>106 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="120">
-    <filters>106 2</filters>
-    <nuclides>Zr90 total</nuclides>
-    <scores>kappa-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="121">
-    <filters>106 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="122">
-    <filters>106 2</filters>
-    <nuclides>Zr90 total</nuclides>
-    <scores>scatter</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="123">
-    <filters>106 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="124">
-    <filters>106 2</filters>
-    <nuclides>Zr90 total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="125">
-    <filters>106 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="126">
-    <filters>106 2 5 30</filters>
-    <nuclides>Zr90 total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="127">
-    <filters>106 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="128">
-    <filters>106 2 5 30</filters>
-    <nuclides>Zr90 total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="129">
-    <filters>106 2 5</filters>
-    <nuclides>Zr90 total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="130">
-    <filters>106 2 5</filters>
-    <nuclides>Zr90 total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="131">
-    <filters>106 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="132">
-    <filters>106 2 5</filters>
-    <nuclides>Zr90 total</nuclides>
-    <scores>nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="133">
-    <filters>106 2 5</filters>
-    <nuclides>Zr90 total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="134">
-    <filters>106 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="135">
-    <filters>106 2</filters>
-    <nuclides>Zr90 total</nuclides>
-    <scores>scatter</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="136">
-    <filters>106 2 5 30</filters>
-    <nuclides>Zr90 total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="137">
-    <filters>106 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="138">
-    <filters>106 2</filters>
-    <nuclides>Zr90 total</nuclides>
-    <scores>scatter</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="139">
-    <filters>106 2 5 30</filters>
-    <nuclides>Zr90 total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="140">
-    <filters>106 2 5</filters>
-    <nuclides>Zr90 total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="141">
-    <filters>106 54</filters>
-    <nuclides>Zr90 total</nuclides>
-    <scores>nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="142">
-    <filters>106 5</filters>
-    <nuclides>Zr90 total</nuclides>
-    <scores>nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="143">
-    <filters>106 54</filters>
-    <nuclides>Zr90 total</nuclides>
-    <scores>prompt-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="144">
-    <filters>106 5</filters>
-    <nuclides>Zr90 total</nuclides>
-    <scores>prompt-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="145">
-    <filters>106 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="146">
-    <filters>106 2</filters>
-    <nuclides>Zr90 total</nuclides>
-    <scores>inverse-velocity</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="147">
-    <filters>106 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="148">
-    <filters>106 2</filters>
-    <nuclides>Zr90 total</nuclides>
-    <scores>prompt-nu-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="149">
-    <filters>106 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="150">
-    <filters>106 2 5</filters>
-    <nuclides>Zr90 total</nuclides>
-    <scores>prompt-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="151">
-    <filters>106 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="152">
-    <filters>106 2</filters>
-    <nuclides>Zr90 total</nuclides>
-    <scores>total</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="153">
-    <filters>106 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="154">
-    <filters>106 5 6</filters>
-    <nuclides>Zr90 total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="155">
-    <filters>106 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="156">
-    <filters>106 2</filters>
-    <nuclides>Zr90 total</nuclides>
-    <scores>total</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="157">
-    <filters>106 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="158">
-    <filters>106 5 6</filters>
-    <nuclides>Zr90 total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="159">
-    <filters>106 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="160">
-    <filters>106 2</filters>
-    <nuclides>Zr90 total</nuclides>
-    <scores>(n,elastic)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="161">
-    <filters>106 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="162">
-    <filters>106 2</filters>
-    <nuclides>Zr90 total</nuclides>
-    <scores>(n,level)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="163">
-    <filters>106 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="164">
-    <filters>106 2</filters>
-    <nuclides>Zr90 total</nuclides>
-    <scores>(n,2n)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="165">
-    <filters>106 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="166">
-    <filters>106 2</filters>
-    <nuclides>Zr90 total</nuclides>
-    <scores>(n,na)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="167">
-    <filters>106 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="168">
-    <filters>106 2</filters>
-    <nuclides>Zr90 total</nuclides>
-    <scores>(n,nc)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="169">
-    <filters>106 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="170">
-    <filters>106 2</filters>
-    <nuclides>Zr90 total</nuclides>
-    <scores>(n,gamma)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="171">
-    <filters>106 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="172">
-    <filters>106 2</filters>
-    <nuclides>Zr90 total</nuclides>
-    <scores>(n,a)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="173">
-    <filters>106 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="174">
-    <filters>106 2</filters>
-    <nuclides>Zr90 total</nuclides>
-    <scores>(n,Xa)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="175">
-    <filters>106 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="176">
-    <filters>106 2</filters>
-    <nuclides>Zr90 total</nuclides>
-    <scores>heating</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="177">
-    <filters>106 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="178">
-    <filters>106 2</filters>
-    <nuclides>Zr90 total</nuclides>
-    <scores>damage-energy</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="179">
-    <filters>106 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="180">
-    <filters>106 2</filters>
-    <nuclides>Zr90 total</nuclides>
-    <scores>(n,n1)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="181">
-    <filters>106 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="182">
-    <filters>106 2</filters>
-    <nuclides>Zr90 total</nuclides>
-    <scores>(n,a0)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="183">
-    <filters>106 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="184">
-    <filters>106 2 5</filters>
-    <nuclides>Zr90 total</nuclides>
-    <scores>(n,nc)</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="185">
-    <filters>106 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="186">
-    <filters>106 2 5</filters>
-    <nuclides>Zr90 total</nuclides>
-    <scores>(n,n1)</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="187">
-    <filters>106 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="188">
-    <filters>106 2 5</filters>
-    <nuclides>Zr90 total</nuclides>
-    <scores>(n,2n)</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="189">
-    <filters>211 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="190">
-    <filters>211 2</filters>
-    <nuclides>H1 total</nuclides>
-    <scores>total</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="191">
-    <filters>211 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="192">
-    <filters>211 2</filters>
-    <nuclides>H1 total</nuclides>
-    <scores>total</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="193">
-    <filters>211 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="194">
-    <filters>211 5 6</filters>
-    <nuclides>H1 total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="195">
-    <filters>211 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="196">
-    <filters>211 2</filters>
-    <nuclides>H1 total</nuclides>
-    <scores>total</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="197">
-    <filters>211 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="198">
-    <filters>211 5 6</filters>
-    <nuclides>H1 total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="199">
-    <filters>211 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="200">
-    <filters>211 2</filters>
-    <nuclides>H1 total</nuclides>
-    <scores>absorption</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="201">
-    <filters>211 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="202">
-    <filters>211 2</filters>
-    <nuclides>H1 total</nuclides>
-    <scores>absorption</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="203">
-    <filters>211 2</filters>
-    <nuclides>H1 total</nuclides>
-    <scores>(n,2n)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="204">
-    <filters>211 2</filters>
-    <nuclides>H1 total</nuclides>
-    <scores>(n,3n)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="205">
-    <filters>211 2</filters>
-    <nuclides>H1 total</nuclides>
-    <scores>(n,4n)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="206">
-    <filters>211 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="207">
-    <filters>211 2</filters>
-    <nuclides>H1 total</nuclides>
-    <scores>absorption</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="208">
-    <filters>211 2</filters>
-    <nuclides>H1 total</nuclides>
-    <scores>fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="209">
-    <filters>211 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="210">
-    <filters>211 2</filters>
-    <nuclides>H1 total</nuclides>
-    <scores>fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="211">
-    <filters>211 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="212">
-    <filters>211 2</filters>
-    <nuclides>H1 total</nuclides>
-    <scores>nu-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="213">
-    <filters>211 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="214">
-    <filters>211 2</filters>
-    <nuclides>H1 total</nuclides>
-    <scores>kappa-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="215">
-    <filters>211 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="216">
-    <filters>211 2</filters>
-    <nuclides>H1 total</nuclides>
-    <scores>scatter</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="217">
-    <filters>211 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="218">
-    <filters>211 2</filters>
-    <nuclides>H1 total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="219">
-    <filters>211 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="220">
-    <filters>211 2 5 30</filters>
-    <nuclides>H1 total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="221">
-    <filters>211 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="222">
-    <filters>211 2 5 30</filters>
-    <nuclides>H1 total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="223">
-    <filters>211 2 5</filters>
-    <nuclides>H1 total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="224">
-    <filters>211 2 5</filters>
-    <nuclides>H1 total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="225">
-    <filters>211 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="226">
-    <filters>211 2 5</filters>
-    <nuclides>H1 total</nuclides>
-    <scores>nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="227">
-    <filters>211 2 5</filters>
-    <nuclides>H1 total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="228">
-    <filters>211 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="229">
-    <filters>211 2</filters>
-    <nuclides>H1 total</nuclides>
-    <scores>scatter</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="230">
-    <filters>211 2 5 30</filters>
-    <nuclides>H1 total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="231">
-    <filters>211 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="232">
-    <filters>211 2</filters>
-    <nuclides>H1 total</nuclides>
-    <scores>scatter</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="233">
-    <filters>211 2 5 30</filters>
-    <nuclides>H1 total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="234">
-    <filters>211 2 5</filters>
-    <nuclides>H1 total</nuclides>
-    <scores>nu-scatter</scores>
+    <scores>scatter nu-scatter</scores>
     <estimator>analog</estimator>
   </tally>
   <tally id="235">
-    <filters>211 54</filters>
-    <nuclides>H1 total</nuclides>
-    <scores>nu-fission</scores>
+    <filters>106 2</filters>
+    <nuclides>Zr90 total</nuclides>
+    <scores>nu-scatter</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="236">
-    <filters>211 5</filters>
-    <nuclides>H1 total</nuclides>
-    <scores>nu-fission</scores>
+  <tally id="265">
+    <filters>106 2 5 30</filters>
+    <nuclides>Zr90 total</nuclides>
+    <scores>scatter nu-scatter</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="237">
-    <filters>211 54</filters>
-    <nuclides>H1 total</nuclides>
-    <scores>prompt-nu-fission</scores>
+  <tally id="360">
+    <filters>106 2 5</filters>
+    <nuclides>Zr90 total</nuclides>
+    <scores>nu-scatter scatter nu-fission prompt-nu-fission (n,nc) (n,n1) (n,2n)</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="238">
-    <filters>211 5</filters>
-    <nuclides>H1 total</nuclides>
-    <scores>prompt-nu-fission</scores>
+  <tally id="271">
+    <filters>106 54</filters>
+    <nuclides>Zr90 total</nuclides>
+    <scores>nu-fission prompt-nu-fission</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="239">
-    <filters>211 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
+  <tally id="272">
+    <filters>106 5</filters>
+    <nuclides>Zr90 total</nuclides>
+    <scores>nu-fission prompt-nu-fission</scores>
+    <estimator>analog</estimator>
+  </tally>
+  <tally id="529">
+    <filters>251 2</filters>
+    <nuclides>H1 total</nuclides>
+    <scores>total absorption (n,2n) (n,3n) (n,4n) fission nu-fission kappa-fission scatter inverse-velocity prompt-nu-fission (n,elastic) (n,level) (n,na) (n,nc) (n,gamma) (n,a) (n,Xa) heating damage-energy (n,n1) (n,a0)</scores>
     <estimator>tracklength</estimator>
   </tally>
-  <tally id="240">
-    <filters>211 2</filters>
+  <tally id="481">
+    <filters>251 5 6</filters>
     <nuclides>H1 total</nuclides>
-    <scores>inverse-velocity</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="241">
-    <filters>211 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="242">
-    <filters>211 2</filters>
-    <nuclides>H1 total</nuclides>
-    <scores>prompt-nu-fission</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="243">
-    <filters>211 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
+    <scores>scatter nu-scatter</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="244">
-    <filters>211 2 5</filters>
-    <nuclides>H1 total</nuclides>
-    <scores>prompt-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="245">
-    <filters>211 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="246">
-    <filters>211 2</filters>
-    <nuclides>H1 total</nuclides>
-    <scores>total</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="247">
-    <filters>211 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="248">
-    <filters>211 5 6</filters>
-    <nuclides>H1 total</nuclides>
-    <scores>scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="249">
-    <filters>211 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="250">
-    <filters>211 2</filters>
-    <nuclides>H1 total</nuclides>
-    <scores>total</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="251">
-    <filters>211 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="252">
-    <filters>211 5 6</filters>
+  <tally id="416">
+    <filters>251 2</filters>
     <nuclides>H1 total</nuclides>
     <scores>nu-scatter</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="253">
-    <filters>211 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="254">
-    <filters>211 2</filters>
+  <tally id="446">
+    <filters>251 2 5 30</filters>
     <nuclides>H1 total</nuclides>
-    <scores>(n,elastic)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="255">
-    <filters>211 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="256">
-    <filters>211 2</filters>
-    <nuclides>H1 total</nuclides>
-    <scores>(n,level)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="257">
-    <filters>211 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="258">
-    <filters>211 2</filters>
-    <nuclides>H1 total</nuclides>
-    <scores>(n,2n)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="259">
-    <filters>211 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="260">
-    <filters>211 2</filters>
-    <nuclides>H1 total</nuclides>
-    <scores>(n,na)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="261">
-    <filters>211 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="262">
-    <filters>211 2</filters>
-    <nuclides>H1 total</nuclides>
-    <scores>(n,nc)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="263">
-    <filters>211 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="264">
-    <filters>211 2</filters>
-    <nuclides>H1 total</nuclides>
-    <scores>(n,gamma)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="265">
-    <filters>211 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="266">
-    <filters>211 2</filters>
-    <nuclides>H1 total</nuclides>
-    <scores>(n,a)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="267">
-    <filters>211 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="268">
-    <filters>211 2</filters>
-    <nuclides>H1 total</nuclides>
-    <scores>(n,Xa)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="269">
-    <filters>211 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="270">
-    <filters>211 2</filters>
-    <nuclides>H1 total</nuclides>
-    <scores>heating</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="271">
-    <filters>211 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="272">
-    <filters>211 2</filters>
-    <nuclides>H1 total</nuclides>
-    <scores>damage-energy</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="273">
-    <filters>211 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="274">
-    <filters>211 2</filters>
-    <nuclides>H1 total</nuclides>
-    <scores>(n,n1)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="275">
-    <filters>211 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="276">
-    <filters>211 2</filters>
-    <nuclides>H1 total</nuclides>
-    <scores>(n,a0)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="277">
-    <filters>211 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
+    <scores>scatter nu-scatter</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="278">
-    <filters>211 2 5</filters>
+  <tally id="541">
+    <filters>251 2 5</filters>
     <nuclides>H1 total</nuclides>
-    <scores>(n,nc)</scores>
+    <scores>nu-scatter scatter nu-fission prompt-nu-fission (n,nc) (n,n1) (n,2n)</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="279">
-    <filters>211 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="280">
-    <filters>211 2 5</filters>
+  <tally id="452">
+    <filters>251 54</filters>
     <nuclides>H1 total</nuclides>
-    <scores>(n,n1)</scores>
+    <scores>nu-fission prompt-nu-fission</scores>
     <estimator>analog</estimator>
   </tally>
-  <tally id="281">
-    <filters>211 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="282">
-    <filters>211 2 5</filters>
+  <tally id="453">
+    <filters>251 5</filters>
     <nuclides>H1 total</nuclides>
-    <scores>(n,2n)</scores>
+    <scores>nu-fission prompt-nu-fission</scores>
     <estimator>analog</estimator>
   </tally>
 </tallies>
diff --git a/tests/regression_tests/mgxs_library_specific_nuclides/test.py b/tests/regression_tests/mgxs_library_specific_nuclides/test.py
index 9af2ce17c..61910e539 100644
--- a/tests/regression_tests/mgxs_library_specific_nuclides/test.py
+++ b/tests/regression_tests/mgxs_library_specific_nuclides/test.py
@@ -37,7 +37,7 @@ class MGXSTestHarness(PyAPITestHarness):
         self.mgxs_lib.build_library()
 
         # Add tallies
-        self.mgxs_lib.add_to_tallies_file(self._model.tallies, merge=False)
+        self.mgxs_lib.add_to_tallies_file(self._model.tallies, merge=True)
 
     def _get_results(self, hash_output=True):
         """Digest info in the statepoint and return as a string."""

From 04806858cafa75b287a6fe32778286a41efb8e95 Mon Sep 17 00:00:00 2001
From: Ethan Peterson <ethan.peterson@mit.edu>
Date: Thu, 23 Mar 2023 14:59:37 -0400
Subject: [PATCH 1676/2654] update old tests to use new model.xml

---
 openmc/plots.py                               |   6 +-
 tests/regression_tests/cmfd_feed/geometry.xml |  43 --
 .../regression_tests/cmfd_feed/materials.xml  |  12 -
 tests/regression_tests/cmfd_feed/model.xml    |  51 ++
 tests/regression_tests/cmfd_feed/settings.xml |  26 -
 tests/regression_tests/cmfd_feed/tallies.xml  |  21 -
 .../cmfd_feed_expanding_window/geometry.xml   |  43 --
 .../cmfd_feed_expanding_window/materials.xml  |  12 -
 .../cmfd_feed_expanding_window/model.xml      |  51 ++
 .../cmfd_feed_expanding_window/settings.xml   |  26 -
 .../cmfd_feed_expanding_window/tallies.xml    |  21 -
 .../cmfd_feed_rectlin/geometry.xml            |  43 --
 .../cmfd_feed_rectlin/materials.xml           |  12 -
 .../cmfd_feed_rectlin/model.xml               |  51 ++
 .../cmfd_feed_rectlin/settings.xml            |  26 -
 .../cmfd_feed_rectlin/tallies.xml             |  21 -
 .../cmfd_feed_ref_d/geometry.xml              |  43 --
 .../cmfd_feed_ref_d/materials.xml             |  12 -
 .../cmfd_feed_ref_d/model.xml                 |  51 ++
 .../cmfd_feed_ref_d/settings.xml              |  26 -
 .../cmfd_feed_ref_d/tallies.xml               |  21 -
 .../cmfd_feed_rolling_window/geometry.xml     |  43 --
 .../cmfd_feed_rolling_window/materials.xml    |  12 -
 .../cmfd_feed_rolling_window/model.xml        |  51 ++
 .../cmfd_feed_rolling_window/settings.xml     |  26 -
 .../cmfd_feed_rolling_window/tallies.xml      |  21 -
 .../regression_tests/cmfd_nofeed/geometry.xml |  43 --
 .../cmfd_nofeed/materials.xml                 |  12 -
 tests/regression_tests/cmfd_nofeed/model.xml  |  51 ++
 .../regression_tests/cmfd_nofeed/settings.xml |  26 -
 .../regression_tests/cmfd_nofeed/tallies.xml  |  21 -
 .../cmfd_restart/geometry.xml                 |  43 --
 .../cmfd_restart/materials.xml                |  12 -
 tests/regression_tests/cmfd_restart/model.xml |  54 ++
 .../cmfd_restart/settings.xml                 |  28 -
 .../regression_tests/cmfd_restart/tallies.xml |  21 -
 .../filter_distribcell/case-4/geometry.xml    |  23 -
 .../filter_distribcell/case-4/materials.xml   |  19 -
 .../filter_distribcell/case-4/model.xml       |  61 ++
 .../filter_distribcell/case-4/settings.xml    |  12 -
 .../filter_distribcell/case-4/tallies.xml     |  14 -
 .../infinite_cell/geometry.xml                |  17 -
 .../infinite_cell/materials.xml               |  14 -
 .../regression_tests/infinite_cell/model.xml  |  39 ++
 .../infinite_cell/settings.xml                |  15 -
 .../mg_temperature/build_2g.py                | 593 +++++++++---------
 tests/regression_tests/plot/geometry.xml      |  13 -
 tests/regression_tests/plot/materials.xml     |  19 -
 tests/regression_tests/plot/model.xml         |  76 +++
 tests/regression_tests/plot/plots.xml         |  33 -
 tests/regression_tests/plot/settings.xml      |  13 -
 tests/regression_tests/plot/tallies.xml       |  20 -
 .../plot_overlaps/geometry.xml                |  14 -
 .../plot_overlaps/materials.xml               |  19 -
 .../regression_tests/plot_overlaps/model.xml  |  65 ++
 .../regression_tests/plot_overlaps/plots.xml  |  35 --
 .../plot_overlaps/settings.xml                |  13 -
 .../regression_tests/plot_voxel/geometry.xml  |  13 -
 .../regression_tests/plot_voxel/materials.xml |  19 -
 tests/regression_tests/plot_voxel/model.xml   |  42 ++
 tests/regression_tests/plot_voxel/plots.xml   |  10 -
 .../regression_tests/plot_voxel/settings.xml  |  13 -
 .../track_output/geometry.xml                 | 305 ---------
 .../track_output/materials.xml                |  95 ---
 tests/regression_tests/track_output/model.xml | 299 +++++++++
 .../track_output/settings.xml                 |  23 -
 66 files changed, 1241 insertions(+), 1787 deletions(-)
 delete mode 100644 tests/regression_tests/cmfd_feed/geometry.xml
 delete mode 100644 tests/regression_tests/cmfd_feed/materials.xml
 create mode 100644 tests/regression_tests/cmfd_feed/model.xml
 delete mode 100644 tests/regression_tests/cmfd_feed/settings.xml
 delete mode 100644 tests/regression_tests/cmfd_feed/tallies.xml
 delete mode 100644 tests/regression_tests/cmfd_feed_expanding_window/geometry.xml
 delete mode 100644 tests/regression_tests/cmfd_feed_expanding_window/materials.xml
 create mode 100644 tests/regression_tests/cmfd_feed_expanding_window/model.xml
 delete mode 100644 tests/regression_tests/cmfd_feed_expanding_window/settings.xml
 delete mode 100644 tests/regression_tests/cmfd_feed_expanding_window/tallies.xml
 delete mode 100644 tests/regression_tests/cmfd_feed_rectlin/geometry.xml
 delete mode 100644 tests/regression_tests/cmfd_feed_rectlin/materials.xml
 create mode 100644 tests/regression_tests/cmfd_feed_rectlin/model.xml
 delete mode 100644 tests/regression_tests/cmfd_feed_rectlin/settings.xml
 delete mode 100644 tests/regression_tests/cmfd_feed_rectlin/tallies.xml
 delete mode 100644 tests/regression_tests/cmfd_feed_ref_d/geometry.xml
 delete mode 100644 tests/regression_tests/cmfd_feed_ref_d/materials.xml
 create mode 100644 tests/regression_tests/cmfd_feed_ref_d/model.xml
 delete mode 100644 tests/regression_tests/cmfd_feed_ref_d/settings.xml
 delete mode 100644 tests/regression_tests/cmfd_feed_ref_d/tallies.xml
 delete mode 100644 tests/regression_tests/cmfd_feed_rolling_window/geometry.xml
 delete mode 100644 tests/regression_tests/cmfd_feed_rolling_window/materials.xml
 create mode 100644 tests/regression_tests/cmfd_feed_rolling_window/model.xml
 delete mode 100644 tests/regression_tests/cmfd_feed_rolling_window/settings.xml
 delete mode 100644 tests/regression_tests/cmfd_feed_rolling_window/tallies.xml
 delete mode 100644 tests/regression_tests/cmfd_nofeed/geometry.xml
 delete mode 100644 tests/regression_tests/cmfd_nofeed/materials.xml
 create mode 100644 tests/regression_tests/cmfd_nofeed/model.xml
 delete mode 100644 tests/regression_tests/cmfd_nofeed/settings.xml
 delete mode 100644 tests/regression_tests/cmfd_nofeed/tallies.xml
 delete mode 100644 tests/regression_tests/cmfd_restart/geometry.xml
 delete mode 100644 tests/regression_tests/cmfd_restart/materials.xml
 create mode 100644 tests/regression_tests/cmfd_restart/model.xml
 delete mode 100644 tests/regression_tests/cmfd_restart/settings.xml
 delete mode 100644 tests/regression_tests/cmfd_restart/tallies.xml
 delete mode 100644 tests/regression_tests/filter_distribcell/case-4/geometry.xml
 delete mode 100644 tests/regression_tests/filter_distribcell/case-4/materials.xml
 create mode 100644 tests/regression_tests/filter_distribcell/case-4/model.xml
 delete mode 100644 tests/regression_tests/filter_distribcell/case-4/settings.xml
 delete mode 100644 tests/regression_tests/filter_distribcell/case-4/tallies.xml
 delete mode 100644 tests/regression_tests/infinite_cell/geometry.xml
 delete mode 100644 tests/regression_tests/infinite_cell/materials.xml
 create mode 100644 tests/regression_tests/infinite_cell/model.xml
 delete mode 100644 tests/regression_tests/infinite_cell/settings.xml
 delete mode 100644 tests/regression_tests/plot/geometry.xml
 delete mode 100644 tests/regression_tests/plot/materials.xml
 create mode 100644 tests/regression_tests/plot/model.xml
 delete mode 100644 tests/regression_tests/plot/plots.xml
 delete mode 100644 tests/regression_tests/plot/settings.xml
 delete mode 100644 tests/regression_tests/plot/tallies.xml
 delete mode 100644 tests/regression_tests/plot_overlaps/geometry.xml
 delete mode 100644 tests/regression_tests/plot_overlaps/materials.xml
 create mode 100644 tests/regression_tests/plot_overlaps/model.xml
 delete mode 100644 tests/regression_tests/plot_overlaps/plots.xml
 delete mode 100644 tests/regression_tests/plot_overlaps/settings.xml
 delete mode 100644 tests/regression_tests/plot_voxel/geometry.xml
 delete mode 100644 tests/regression_tests/plot_voxel/materials.xml
 create mode 100644 tests/regression_tests/plot_voxel/model.xml
 delete mode 100644 tests/regression_tests/plot_voxel/plots.xml
 delete mode 100644 tests/regression_tests/plot_voxel/settings.xml
 delete mode 100644 tests/regression_tests/track_output/geometry.xml
 delete mode 100644 tests/regression_tests/track_output/materials.xml
 create mode 100644 tests/regression_tests/track_output/model.xml
 delete mode 100644 tests/regression_tests/track_output/settings.xml

diff --git a/openmc/plots.py b/openmc/plots.py
index 0a0451625..4b7d58e3b 100644
--- a/openmc/plots.py
+++ b/openmc/plots.py
@@ -683,11 +683,11 @@ class Plot(IDManagerMixin):
         if self._meshlines is not None:
             subelement = ET.SubElement(element, "meshlines")
             subelement.set("meshtype", self._meshlines['type'])
-            if self._meshlines['id'] is not None:
+            if 'id' in self._meshlines:
                 subelement.set("id", str(self._meshlines['id']))
-            if self._meshlines['linewidth'] is not None:
+            if 'linewidth' in self._meshlines:
                 subelement.set("linewidth", str(self._meshlines['linewidth']))
-            if self._meshlines['color'] is not None:
+            if 'color' in self._meshlines:
                 subelement.set("color", ' '.join(map(
                     str, self._meshlines['color'])))
 
diff --git a/tests/regression_tests/cmfd_feed/geometry.xml b/tests/regression_tests/cmfd_feed/geometry.xml
deleted file mode 100644
index 73ea679c4..000000000
--- a/tests/regression_tests/cmfd_feed/geometry.xml
+++ /dev/null
@@ -1,43 +0,0 @@
-<?xml version="1.0" encoding="UTF-8"?>
-<geometry>
-
-<!-- Definition of Cells -->
-  <cell id="1">
-    <universe>0</universe>
-    <region>-1 2 -3 4 -5 6</region>
-    <material>1</material>
-  </cell>
-
-<!-- Defition of Surfaces -->
-  <surface id="1">
-    <type>x-plane</type>
-    <coeffs>10</coeffs>
-    <boundary> vacuum </boundary>
-  </surface>
-  <surface id="2">
-    <type>x-plane</type>
-    <coeffs>-10</coeffs>
-    <boundary> vacuum </boundary>
-  </surface>
-  <surface id="3">
-    <type>y-plane</type>
-    <coeffs>1</coeffs>
-    <boundary>reflective</boundary>
-  </surface>
-  <surface id="4">
-    <type>y-plane</type>
-    <coeffs>-1</coeffs>
-    <boundary>reflective</boundary>
-  </surface>
-  <surface id="5">
-    <type>z-plane</type>
-    <coeffs>1</coeffs>
-    <boundary>reflective</boundary>
-  </surface>
-  <surface id="6">
-    <type>z-plane</type>
-    <coeffs>-1</coeffs>
-    <boundary>reflective</boundary>
-  </surface>
-
-</geometry>
diff --git a/tests/regression_tests/cmfd_feed/materials.xml b/tests/regression_tests/cmfd_feed/materials.xml
deleted file mode 100644
index 70580e3a8..000000000
--- a/tests/regression_tests/cmfd_feed/materials.xml
+++ /dev/null
@@ -1,12 +0,0 @@
-<?xml version="1.0"?>
-<materials>
-
-  <!-- Definition of materials -->
-  <material id="1">
-    <density value="19" units="g/cc" />
-    <nuclide name="U235" wo="0.21" />
-    <nuclide name="U238" wo="0.68" />
-    <nuclide name="O16" wo="0.11" />
-  </material>
-
-</materials>
diff --git a/tests/regression_tests/cmfd_feed/model.xml b/tests/regression_tests/cmfd_feed/model.xml
new file mode 100644
index 000000000..b3fe853b2
--- /dev/null
+++ b/tests/regression_tests/cmfd_feed/model.xml
@@ -0,0 +1,51 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material depletable="true" id="1">
+      <density units="g/cc" value="19.0" />
+      <nuclide name="U235" wo="0.21" />
+      <nuclide name="U238" wo="0.68" />
+      <nuclide name="O16" wo="0.11" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="-1 2 -3 4 -5 6" universe="0" />
+    <surface boundary="vacuum" coeffs="10.0" id="1" type="x-plane" />
+    <surface boundary="vacuum" coeffs="-10.0" id="2" type="x-plane" />
+    <surface boundary="reflective" coeffs="1.0" id="3" type="y-plane" />
+    <surface boundary="reflective" coeffs="-1.0" id="4" type="y-plane" />
+    <surface boundary="reflective" coeffs="1.0" id="5" type="z-plane" />
+    <surface boundary="reflective" coeffs="-1.0" id="6" type="z-plane" />
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>1000</particles>
+    <batches>20</batches>
+    <inactive>10</inactive>
+    <source strength="1.0">
+      <space type="box">
+        <parameters>-10.0 -1.0 -1.0 10.0 1.0 1.0</parameters>
+      </space>
+    </source>
+    <entropy_mesh>10</entropy_mesh>
+    <mesh id="10">
+      <dimension>10 1 1</dimension>
+      <lower_left>-10.0 -1.0 -1.0</lower_left>
+      <upper_right>10.0 1.0 1.0</upper_right>
+    </mesh>
+  </settings>
+  <tallies>
+    <mesh id="1">
+      <dimension>10 1 1</dimension>
+      <lower_left>-10.0 -1.0 -1.0</lower_left>
+      <upper_right>10.0 1.0 1.0</upper_right>
+    </mesh>
+    <filter id="1" type="mesh">
+      <bins>1</bins>
+    </filter>
+    <tally id="1">
+      <filters>1</filters>
+      <scores>flux</scores>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/cmfd_feed/settings.xml b/tests/regression_tests/cmfd_feed/settings.xml
deleted file mode 100644
index 24b0b6ab5..000000000
--- a/tests/regression_tests/cmfd_feed/settings.xml
+++ /dev/null
@@ -1,26 +0,0 @@
-<?xml version="1.0" encoding="UTF-8"?>
-<settings>
-
-  <!-- Parameters for criticality calculation -->
-  <run_mode>eigenvalue</run_mode>
-  <batches>20</batches>
-  <inactive>10</inactive>
-  <particles>1000</particles>
-
-  <!-- Starting source -->
-  <source>
-    <space>
-      <type>box</type>
-      <parameters>-10 -1 -1 10 1 1</parameters>
-    </space>
-  </source>
-
-  <!-- Shannon Entropy -->
-  <mesh id="10">
-    <dimension> 10 1 1 </dimension>
-    <lower_left> -10.0 -1.0 -1.0 </lower_left>
-    <upper_right> 10.0  1.0  1.0 </upper_right>
-  </mesh>
-  <entropy_mesh>10</entropy_mesh>
-
-</settings>
diff --git a/tests/regression_tests/cmfd_feed/tallies.xml b/tests/regression_tests/cmfd_feed/tallies.xml
deleted file mode 100644
index c86971114..000000000
--- a/tests/regression_tests/cmfd_feed/tallies.xml
+++ /dev/null
@@ -1,21 +0,0 @@
-<?xml version="1.0"?>
-<tallies>
-
-  <mesh id="1">
-    <type>regular</type>
-    <lower_left>-10 -1 -1 </lower_left>
-    <upper_right>10 1 1</upper_right>
-    <dimension>10 1 1</dimension>
-  </mesh>
-
-  <filter id="1">
-    <type>mesh</type>
-    <bins>1</bins>
-  </filter>
-
-  <tally id="1">
-    <filters>1</filters>
-    <scores>flux</scores>
-  </tally>
-
-</tallies>
diff --git a/tests/regression_tests/cmfd_feed_expanding_window/geometry.xml b/tests/regression_tests/cmfd_feed_expanding_window/geometry.xml
deleted file mode 100644
index 73ea679c4..000000000
--- a/tests/regression_tests/cmfd_feed_expanding_window/geometry.xml
+++ /dev/null
@@ -1,43 +0,0 @@
-<?xml version="1.0" encoding="UTF-8"?>
-<geometry>
-
-<!-- Definition of Cells -->
-  <cell id="1">
-    <universe>0</universe>
-    <region>-1 2 -3 4 -5 6</region>
-    <material>1</material>
-  </cell>
-
-<!-- Defition of Surfaces -->
-  <surface id="1">
-    <type>x-plane</type>
-    <coeffs>10</coeffs>
-    <boundary> vacuum </boundary>
-  </surface>
-  <surface id="2">
-    <type>x-plane</type>
-    <coeffs>-10</coeffs>
-    <boundary> vacuum </boundary>
-  </surface>
-  <surface id="3">
-    <type>y-plane</type>
-    <coeffs>1</coeffs>
-    <boundary>reflective</boundary>
-  </surface>
-  <surface id="4">
-    <type>y-plane</type>
-    <coeffs>-1</coeffs>
-    <boundary>reflective</boundary>
-  </surface>
-  <surface id="5">
-    <type>z-plane</type>
-    <coeffs>1</coeffs>
-    <boundary>reflective</boundary>
-  </surface>
-  <surface id="6">
-    <type>z-plane</type>
-    <coeffs>-1</coeffs>
-    <boundary>reflective</boundary>
-  </surface>
-
-</geometry>
diff --git a/tests/regression_tests/cmfd_feed_expanding_window/materials.xml b/tests/regression_tests/cmfd_feed_expanding_window/materials.xml
deleted file mode 100644
index 70580e3a8..000000000
--- a/tests/regression_tests/cmfd_feed_expanding_window/materials.xml
+++ /dev/null
@@ -1,12 +0,0 @@
-<?xml version="1.0"?>
-<materials>
-
-  <!-- Definition of materials -->
-  <material id="1">
-    <density value="19" units="g/cc" />
-    <nuclide name="U235" wo="0.21" />
-    <nuclide name="U238" wo="0.68" />
-    <nuclide name="O16" wo="0.11" />
-  </material>
-
-</materials>
diff --git a/tests/regression_tests/cmfd_feed_expanding_window/model.xml b/tests/regression_tests/cmfd_feed_expanding_window/model.xml
new file mode 100644
index 000000000..b3fe853b2
--- /dev/null
+++ b/tests/regression_tests/cmfd_feed_expanding_window/model.xml
@@ -0,0 +1,51 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material depletable="true" id="1">
+      <density units="g/cc" value="19.0" />
+      <nuclide name="U235" wo="0.21" />
+      <nuclide name="U238" wo="0.68" />
+      <nuclide name="O16" wo="0.11" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="-1 2 -3 4 -5 6" universe="0" />
+    <surface boundary="vacuum" coeffs="10.0" id="1" type="x-plane" />
+    <surface boundary="vacuum" coeffs="-10.0" id="2" type="x-plane" />
+    <surface boundary="reflective" coeffs="1.0" id="3" type="y-plane" />
+    <surface boundary="reflective" coeffs="-1.0" id="4" type="y-plane" />
+    <surface boundary="reflective" coeffs="1.0" id="5" type="z-plane" />
+    <surface boundary="reflective" coeffs="-1.0" id="6" type="z-plane" />
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>1000</particles>
+    <batches>20</batches>
+    <inactive>10</inactive>
+    <source strength="1.0">
+      <space type="box">
+        <parameters>-10.0 -1.0 -1.0 10.0 1.0 1.0</parameters>
+      </space>
+    </source>
+    <entropy_mesh>10</entropy_mesh>
+    <mesh id="10">
+      <dimension>10 1 1</dimension>
+      <lower_left>-10.0 -1.0 -1.0</lower_left>
+      <upper_right>10.0 1.0 1.0</upper_right>
+    </mesh>
+  </settings>
+  <tallies>
+    <mesh id="1">
+      <dimension>10 1 1</dimension>
+      <lower_left>-10.0 -1.0 -1.0</lower_left>
+      <upper_right>10.0 1.0 1.0</upper_right>
+    </mesh>
+    <filter id="1" type="mesh">
+      <bins>1</bins>
+    </filter>
+    <tally id="1">
+      <filters>1</filters>
+      <scores>flux</scores>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/cmfd_feed_expanding_window/settings.xml b/tests/regression_tests/cmfd_feed_expanding_window/settings.xml
deleted file mode 100644
index 24b0b6ab5..000000000
--- a/tests/regression_tests/cmfd_feed_expanding_window/settings.xml
+++ /dev/null
@@ -1,26 +0,0 @@
-<?xml version="1.0" encoding="UTF-8"?>
-<settings>
-
-  <!-- Parameters for criticality calculation -->
-  <run_mode>eigenvalue</run_mode>
-  <batches>20</batches>
-  <inactive>10</inactive>
-  <particles>1000</particles>
-
-  <!-- Starting source -->
-  <source>
-    <space>
-      <type>box</type>
-      <parameters>-10 -1 -1 10 1 1</parameters>
-    </space>
-  </source>
-
-  <!-- Shannon Entropy -->
-  <mesh id="10">
-    <dimension> 10 1 1 </dimension>
-    <lower_left> -10.0 -1.0 -1.0 </lower_left>
-    <upper_right> 10.0  1.0  1.0 </upper_right>
-  </mesh>
-  <entropy_mesh>10</entropy_mesh>
-
-</settings>
diff --git a/tests/regression_tests/cmfd_feed_expanding_window/tallies.xml b/tests/regression_tests/cmfd_feed_expanding_window/tallies.xml
deleted file mode 100644
index c86971114..000000000
--- a/tests/regression_tests/cmfd_feed_expanding_window/tallies.xml
+++ /dev/null
@@ -1,21 +0,0 @@
-<?xml version="1.0"?>
-<tallies>
-
-  <mesh id="1">
-    <type>regular</type>
-    <lower_left>-10 -1 -1 </lower_left>
-    <upper_right>10 1 1</upper_right>
-    <dimension>10 1 1</dimension>
-  </mesh>
-
-  <filter id="1">
-    <type>mesh</type>
-    <bins>1</bins>
-  </filter>
-
-  <tally id="1">
-    <filters>1</filters>
-    <scores>flux</scores>
-  </tally>
-
-</tallies>
diff --git a/tests/regression_tests/cmfd_feed_rectlin/geometry.xml b/tests/regression_tests/cmfd_feed_rectlin/geometry.xml
deleted file mode 100644
index 73ea679c4..000000000
--- a/tests/regression_tests/cmfd_feed_rectlin/geometry.xml
+++ /dev/null
@@ -1,43 +0,0 @@
-<?xml version="1.0" encoding="UTF-8"?>
-<geometry>
-
-<!-- Definition of Cells -->
-  <cell id="1">
-    <universe>0</universe>
-    <region>-1 2 -3 4 -5 6</region>
-    <material>1</material>
-  </cell>
-
-<!-- Defition of Surfaces -->
-  <surface id="1">
-    <type>x-plane</type>
-    <coeffs>10</coeffs>
-    <boundary> vacuum </boundary>
-  </surface>
-  <surface id="2">
-    <type>x-plane</type>
-    <coeffs>-10</coeffs>
-    <boundary> vacuum </boundary>
-  </surface>
-  <surface id="3">
-    <type>y-plane</type>
-    <coeffs>1</coeffs>
-    <boundary>reflective</boundary>
-  </surface>
-  <surface id="4">
-    <type>y-plane</type>
-    <coeffs>-1</coeffs>
-    <boundary>reflective</boundary>
-  </surface>
-  <surface id="5">
-    <type>z-plane</type>
-    <coeffs>1</coeffs>
-    <boundary>reflective</boundary>
-  </surface>
-  <surface id="6">
-    <type>z-plane</type>
-    <coeffs>-1</coeffs>
-    <boundary>reflective</boundary>
-  </surface>
-
-</geometry>
diff --git a/tests/regression_tests/cmfd_feed_rectlin/materials.xml b/tests/regression_tests/cmfd_feed_rectlin/materials.xml
deleted file mode 100644
index 70580e3a8..000000000
--- a/tests/regression_tests/cmfd_feed_rectlin/materials.xml
+++ /dev/null
@@ -1,12 +0,0 @@
-<?xml version="1.0"?>
-<materials>
-
-  <!-- Definition of materials -->
-  <material id="1">
-    <density value="19" units="g/cc" />
-    <nuclide name="U235" wo="0.21" />
-    <nuclide name="U238" wo="0.68" />
-    <nuclide name="O16" wo="0.11" />
-  </material>
-
-</materials>
diff --git a/tests/regression_tests/cmfd_feed_rectlin/model.xml b/tests/regression_tests/cmfd_feed_rectlin/model.xml
new file mode 100644
index 000000000..b3fe853b2
--- /dev/null
+++ b/tests/regression_tests/cmfd_feed_rectlin/model.xml
@@ -0,0 +1,51 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material depletable="true" id="1">
+      <density units="g/cc" value="19.0" />
+      <nuclide name="U235" wo="0.21" />
+      <nuclide name="U238" wo="0.68" />
+      <nuclide name="O16" wo="0.11" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="-1 2 -3 4 -5 6" universe="0" />
+    <surface boundary="vacuum" coeffs="10.0" id="1" type="x-plane" />
+    <surface boundary="vacuum" coeffs="-10.0" id="2" type="x-plane" />
+    <surface boundary="reflective" coeffs="1.0" id="3" type="y-plane" />
+    <surface boundary="reflective" coeffs="-1.0" id="4" type="y-plane" />
+    <surface boundary="reflective" coeffs="1.0" id="5" type="z-plane" />
+    <surface boundary="reflective" coeffs="-1.0" id="6" type="z-plane" />
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>1000</particles>
+    <batches>20</batches>
+    <inactive>10</inactive>
+    <source strength="1.0">
+      <space type="box">
+        <parameters>-10.0 -1.0 -1.0 10.0 1.0 1.0</parameters>
+      </space>
+    </source>
+    <entropy_mesh>10</entropy_mesh>
+    <mesh id="10">
+      <dimension>10 1 1</dimension>
+      <lower_left>-10.0 -1.0 -1.0</lower_left>
+      <upper_right>10.0 1.0 1.0</upper_right>
+    </mesh>
+  </settings>
+  <tallies>
+    <mesh id="1">
+      <dimension>10 1 1</dimension>
+      <lower_left>-10.0 -1.0 -1.0</lower_left>
+      <upper_right>10.0 1.0 1.0</upper_right>
+    </mesh>
+    <filter id="1" type="mesh">
+      <bins>1</bins>
+    </filter>
+    <tally id="1">
+      <filters>1</filters>
+      <scores>flux</scores>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/cmfd_feed_rectlin/settings.xml b/tests/regression_tests/cmfd_feed_rectlin/settings.xml
deleted file mode 100644
index 24b0b6ab5..000000000
--- a/tests/regression_tests/cmfd_feed_rectlin/settings.xml
+++ /dev/null
@@ -1,26 +0,0 @@
-<?xml version="1.0" encoding="UTF-8"?>
-<settings>
-
-  <!-- Parameters for criticality calculation -->
-  <run_mode>eigenvalue</run_mode>
-  <batches>20</batches>
-  <inactive>10</inactive>
-  <particles>1000</particles>
-
-  <!-- Starting source -->
-  <source>
-    <space>
-      <type>box</type>
-      <parameters>-10 -1 -1 10 1 1</parameters>
-    </space>
-  </source>
-
-  <!-- Shannon Entropy -->
-  <mesh id="10">
-    <dimension> 10 1 1 </dimension>
-    <lower_left> -10.0 -1.0 -1.0 </lower_left>
-    <upper_right> 10.0  1.0  1.0 </upper_right>
-  </mesh>
-  <entropy_mesh>10</entropy_mesh>
-
-</settings>
diff --git a/tests/regression_tests/cmfd_feed_rectlin/tallies.xml b/tests/regression_tests/cmfd_feed_rectlin/tallies.xml
deleted file mode 100644
index c86971114..000000000
--- a/tests/regression_tests/cmfd_feed_rectlin/tallies.xml
+++ /dev/null
@@ -1,21 +0,0 @@
-<?xml version="1.0"?>
-<tallies>
-
-  <mesh id="1">
-    <type>regular</type>
-    <lower_left>-10 -1 -1 </lower_left>
-    <upper_right>10 1 1</upper_right>
-    <dimension>10 1 1</dimension>
-  </mesh>
-
-  <filter id="1">
-    <type>mesh</type>
-    <bins>1</bins>
-  </filter>
-
-  <tally id="1">
-    <filters>1</filters>
-    <scores>flux</scores>
-  </tally>
-
-</tallies>
diff --git a/tests/regression_tests/cmfd_feed_ref_d/geometry.xml b/tests/regression_tests/cmfd_feed_ref_d/geometry.xml
deleted file mode 100644
index 73ea679c4..000000000
--- a/tests/regression_tests/cmfd_feed_ref_d/geometry.xml
+++ /dev/null
@@ -1,43 +0,0 @@
-<?xml version="1.0" encoding="UTF-8"?>
-<geometry>
-
-<!-- Definition of Cells -->
-  <cell id="1">
-    <universe>0</universe>
-    <region>-1 2 -3 4 -5 6</region>
-    <material>1</material>
-  </cell>
-
-<!-- Defition of Surfaces -->
-  <surface id="1">
-    <type>x-plane</type>
-    <coeffs>10</coeffs>
-    <boundary> vacuum </boundary>
-  </surface>
-  <surface id="2">
-    <type>x-plane</type>
-    <coeffs>-10</coeffs>
-    <boundary> vacuum </boundary>
-  </surface>
-  <surface id="3">
-    <type>y-plane</type>
-    <coeffs>1</coeffs>
-    <boundary>reflective</boundary>
-  </surface>
-  <surface id="4">
-    <type>y-plane</type>
-    <coeffs>-1</coeffs>
-    <boundary>reflective</boundary>
-  </surface>
-  <surface id="5">
-    <type>z-plane</type>
-    <coeffs>1</coeffs>
-    <boundary>reflective</boundary>
-  </surface>
-  <surface id="6">
-    <type>z-plane</type>
-    <coeffs>-1</coeffs>
-    <boundary>reflective</boundary>
-  </surface>
-
-</geometry>
diff --git a/tests/regression_tests/cmfd_feed_ref_d/materials.xml b/tests/regression_tests/cmfd_feed_ref_d/materials.xml
deleted file mode 100644
index 70580e3a8..000000000
--- a/tests/regression_tests/cmfd_feed_ref_d/materials.xml
+++ /dev/null
@@ -1,12 +0,0 @@
-<?xml version="1.0"?>
-<materials>
-
-  <!-- Definition of materials -->
-  <material id="1">
-    <density value="19" units="g/cc" />
-    <nuclide name="U235" wo="0.21" />
-    <nuclide name="U238" wo="0.68" />
-    <nuclide name="O16" wo="0.11" />
-  </material>
-
-</materials>
diff --git a/tests/regression_tests/cmfd_feed_ref_d/model.xml b/tests/regression_tests/cmfd_feed_ref_d/model.xml
new file mode 100644
index 000000000..b3fe853b2
--- /dev/null
+++ b/tests/regression_tests/cmfd_feed_ref_d/model.xml
@@ -0,0 +1,51 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material depletable="true" id="1">
+      <density units="g/cc" value="19.0" />
+      <nuclide name="U235" wo="0.21" />
+      <nuclide name="U238" wo="0.68" />
+      <nuclide name="O16" wo="0.11" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="-1 2 -3 4 -5 6" universe="0" />
+    <surface boundary="vacuum" coeffs="10.0" id="1" type="x-plane" />
+    <surface boundary="vacuum" coeffs="-10.0" id="2" type="x-plane" />
+    <surface boundary="reflective" coeffs="1.0" id="3" type="y-plane" />
+    <surface boundary="reflective" coeffs="-1.0" id="4" type="y-plane" />
+    <surface boundary="reflective" coeffs="1.0" id="5" type="z-plane" />
+    <surface boundary="reflective" coeffs="-1.0" id="6" type="z-plane" />
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>1000</particles>
+    <batches>20</batches>
+    <inactive>10</inactive>
+    <source strength="1.0">
+      <space type="box">
+        <parameters>-10.0 -1.0 -1.0 10.0 1.0 1.0</parameters>
+      </space>
+    </source>
+    <entropy_mesh>10</entropy_mesh>
+    <mesh id="10">
+      <dimension>10 1 1</dimension>
+      <lower_left>-10.0 -1.0 -1.0</lower_left>
+      <upper_right>10.0 1.0 1.0</upper_right>
+    </mesh>
+  </settings>
+  <tallies>
+    <mesh id="1">
+      <dimension>10 1 1</dimension>
+      <lower_left>-10.0 -1.0 -1.0</lower_left>
+      <upper_right>10.0 1.0 1.0</upper_right>
+    </mesh>
+    <filter id="1" type="mesh">
+      <bins>1</bins>
+    </filter>
+    <tally id="1">
+      <filters>1</filters>
+      <scores>flux</scores>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/cmfd_feed_ref_d/settings.xml b/tests/regression_tests/cmfd_feed_ref_d/settings.xml
deleted file mode 100644
index 24b0b6ab5..000000000
--- a/tests/regression_tests/cmfd_feed_ref_d/settings.xml
+++ /dev/null
@@ -1,26 +0,0 @@
-<?xml version="1.0" encoding="UTF-8"?>
-<settings>
-
-  <!-- Parameters for criticality calculation -->
-  <run_mode>eigenvalue</run_mode>
-  <batches>20</batches>
-  <inactive>10</inactive>
-  <particles>1000</particles>
-
-  <!-- Starting source -->
-  <source>
-    <space>
-      <type>box</type>
-      <parameters>-10 -1 -1 10 1 1</parameters>
-    </space>
-  </source>
-
-  <!-- Shannon Entropy -->
-  <mesh id="10">
-    <dimension> 10 1 1 </dimension>
-    <lower_left> -10.0 -1.0 -1.0 </lower_left>
-    <upper_right> 10.0  1.0  1.0 </upper_right>
-  </mesh>
-  <entropy_mesh>10</entropy_mesh>
-
-</settings>
diff --git a/tests/regression_tests/cmfd_feed_ref_d/tallies.xml b/tests/regression_tests/cmfd_feed_ref_d/tallies.xml
deleted file mode 100644
index c86971114..000000000
--- a/tests/regression_tests/cmfd_feed_ref_d/tallies.xml
+++ /dev/null
@@ -1,21 +0,0 @@
-<?xml version="1.0"?>
-<tallies>
-
-  <mesh id="1">
-    <type>regular</type>
-    <lower_left>-10 -1 -1 </lower_left>
-    <upper_right>10 1 1</upper_right>
-    <dimension>10 1 1</dimension>
-  </mesh>
-
-  <filter id="1">
-    <type>mesh</type>
-    <bins>1</bins>
-  </filter>
-
-  <tally id="1">
-    <filters>1</filters>
-    <scores>flux</scores>
-  </tally>
-
-</tallies>
diff --git a/tests/regression_tests/cmfd_feed_rolling_window/geometry.xml b/tests/regression_tests/cmfd_feed_rolling_window/geometry.xml
deleted file mode 100644
index 73ea679c4..000000000
--- a/tests/regression_tests/cmfd_feed_rolling_window/geometry.xml
+++ /dev/null
@@ -1,43 +0,0 @@
-<?xml version="1.0" encoding="UTF-8"?>
-<geometry>
-
-<!-- Definition of Cells -->
-  <cell id="1">
-    <universe>0</universe>
-    <region>-1 2 -3 4 -5 6</region>
-    <material>1</material>
-  </cell>
-
-<!-- Defition of Surfaces -->
-  <surface id="1">
-    <type>x-plane</type>
-    <coeffs>10</coeffs>
-    <boundary> vacuum </boundary>
-  </surface>
-  <surface id="2">
-    <type>x-plane</type>
-    <coeffs>-10</coeffs>
-    <boundary> vacuum </boundary>
-  </surface>
-  <surface id="3">
-    <type>y-plane</type>
-    <coeffs>1</coeffs>
-    <boundary>reflective</boundary>
-  </surface>
-  <surface id="4">
-    <type>y-plane</type>
-    <coeffs>-1</coeffs>
-    <boundary>reflective</boundary>
-  </surface>
-  <surface id="5">
-    <type>z-plane</type>
-    <coeffs>1</coeffs>
-    <boundary>reflective</boundary>
-  </surface>
-  <surface id="6">
-    <type>z-plane</type>
-    <coeffs>-1</coeffs>
-    <boundary>reflective</boundary>
-  </surface>
-
-</geometry>
diff --git a/tests/regression_tests/cmfd_feed_rolling_window/materials.xml b/tests/regression_tests/cmfd_feed_rolling_window/materials.xml
deleted file mode 100644
index 70580e3a8..000000000
--- a/tests/regression_tests/cmfd_feed_rolling_window/materials.xml
+++ /dev/null
@@ -1,12 +0,0 @@
-<?xml version="1.0"?>
-<materials>
-
-  <!-- Definition of materials -->
-  <material id="1">
-    <density value="19" units="g/cc" />
-    <nuclide name="U235" wo="0.21" />
-    <nuclide name="U238" wo="0.68" />
-    <nuclide name="O16" wo="0.11" />
-  </material>
-
-</materials>
diff --git a/tests/regression_tests/cmfd_feed_rolling_window/model.xml b/tests/regression_tests/cmfd_feed_rolling_window/model.xml
new file mode 100644
index 000000000..b3fe853b2
--- /dev/null
+++ b/tests/regression_tests/cmfd_feed_rolling_window/model.xml
@@ -0,0 +1,51 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material depletable="true" id="1">
+      <density units="g/cc" value="19.0" />
+      <nuclide name="U235" wo="0.21" />
+      <nuclide name="U238" wo="0.68" />
+      <nuclide name="O16" wo="0.11" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="-1 2 -3 4 -5 6" universe="0" />
+    <surface boundary="vacuum" coeffs="10.0" id="1" type="x-plane" />
+    <surface boundary="vacuum" coeffs="-10.0" id="2" type="x-plane" />
+    <surface boundary="reflective" coeffs="1.0" id="3" type="y-plane" />
+    <surface boundary="reflective" coeffs="-1.0" id="4" type="y-plane" />
+    <surface boundary="reflective" coeffs="1.0" id="5" type="z-plane" />
+    <surface boundary="reflective" coeffs="-1.0" id="6" type="z-plane" />
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>1000</particles>
+    <batches>20</batches>
+    <inactive>10</inactive>
+    <source strength="1.0">
+      <space type="box">
+        <parameters>-10.0 -1.0 -1.0 10.0 1.0 1.0</parameters>
+      </space>
+    </source>
+    <entropy_mesh>10</entropy_mesh>
+    <mesh id="10">
+      <dimension>10 1 1</dimension>
+      <lower_left>-10.0 -1.0 -1.0</lower_left>
+      <upper_right>10.0 1.0 1.0</upper_right>
+    </mesh>
+  </settings>
+  <tallies>
+    <mesh id="1">
+      <dimension>10 1 1</dimension>
+      <lower_left>-10.0 -1.0 -1.0</lower_left>
+      <upper_right>10.0 1.0 1.0</upper_right>
+    </mesh>
+    <filter id="1" type="mesh">
+      <bins>1</bins>
+    </filter>
+    <tally id="1">
+      <filters>1</filters>
+      <scores>flux</scores>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/cmfd_feed_rolling_window/settings.xml b/tests/regression_tests/cmfd_feed_rolling_window/settings.xml
deleted file mode 100644
index 24b0b6ab5..000000000
--- a/tests/regression_tests/cmfd_feed_rolling_window/settings.xml
+++ /dev/null
@@ -1,26 +0,0 @@
-<?xml version="1.0" encoding="UTF-8"?>
-<settings>
-
-  <!-- Parameters for criticality calculation -->
-  <run_mode>eigenvalue</run_mode>
-  <batches>20</batches>
-  <inactive>10</inactive>
-  <particles>1000</particles>
-
-  <!-- Starting source -->
-  <source>
-    <space>
-      <type>box</type>
-      <parameters>-10 -1 -1 10 1 1</parameters>
-    </space>
-  </source>
-
-  <!-- Shannon Entropy -->
-  <mesh id="10">
-    <dimension> 10 1 1 </dimension>
-    <lower_left> -10.0 -1.0 -1.0 </lower_left>
-    <upper_right> 10.0  1.0  1.0 </upper_right>
-  </mesh>
-  <entropy_mesh>10</entropy_mesh>
-
-</settings>
diff --git a/tests/regression_tests/cmfd_feed_rolling_window/tallies.xml b/tests/regression_tests/cmfd_feed_rolling_window/tallies.xml
deleted file mode 100644
index c86971114..000000000
--- a/tests/regression_tests/cmfd_feed_rolling_window/tallies.xml
+++ /dev/null
@@ -1,21 +0,0 @@
-<?xml version="1.0"?>
-<tallies>
-
-  <mesh id="1">
-    <type>regular</type>
-    <lower_left>-10 -1 -1 </lower_left>
-    <upper_right>10 1 1</upper_right>
-    <dimension>10 1 1</dimension>
-  </mesh>
-
-  <filter id="1">
-    <type>mesh</type>
-    <bins>1</bins>
-  </filter>
-
-  <tally id="1">
-    <filters>1</filters>
-    <scores>flux</scores>
-  </tally>
-
-</tallies>
diff --git a/tests/regression_tests/cmfd_nofeed/geometry.xml b/tests/regression_tests/cmfd_nofeed/geometry.xml
deleted file mode 100644
index 73ea679c4..000000000
--- a/tests/regression_tests/cmfd_nofeed/geometry.xml
+++ /dev/null
@@ -1,43 +0,0 @@
-<?xml version="1.0" encoding="UTF-8"?>
-<geometry>
-
-<!-- Definition of Cells -->
-  <cell id="1">
-    <universe>0</universe>
-    <region>-1 2 -3 4 -5 6</region>
-    <material>1</material>
-  </cell>
-
-<!-- Defition of Surfaces -->
-  <surface id="1">
-    <type>x-plane</type>
-    <coeffs>10</coeffs>
-    <boundary> vacuum </boundary>
-  </surface>
-  <surface id="2">
-    <type>x-plane</type>
-    <coeffs>-10</coeffs>
-    <boundary> vacuum </boundary>
-  </surface>
-  <surface id="3">
-    <type>y-plane</type>
-    <coeffs>1</coeffs>
-    <boundary>reflective</boundary>
-  </surface>
-  <surface id="4">
-    <type>y-plane</type>
-    <coeffs>-1</coeffs>
-    <boundary>reflective</boundary>
-  </surface>
-  <surface id="5">
-    <type>z-plane</type>
-    <coeffs>1</coeffs>
-    <boundary>reflective</boundary>
-  </surface>
-  <surface id="6">
-    <type>z-plane</type>
-    <coeffs>-1</coeffs>
-    <boundary>reflective</boundary>
-  </surface>
-
-</geometry>
diff --git a/tests/regression_tests/cmfd_nofeed/materials.xml b/tests/regression_tests/cmfd_nofeed/materials.xml
deleted file mode 100644
index 70580e3a8..000000000
--- a/tests/regression_tests/cmfd_nofeed/materials.xml
+++ /dev/null
@@ -1,12 +0,0 @@
-<?xml version="1.0"?>
-<materials>
-
-  <!-- Definition of materials -->
-  <material id="1">
-    <density value="19" units="g/cc" />
-    <nuclide name="U235" wo="0.21" />
-    <nuclide name="U238" wo="0.68" />
-    <nuclide name="O16" wo="0.11" />
-  </material>
-
-</materials>
diff --git a/tests/regression_tests/cmfd_nofeed/model.xml b/tests/regression_tests/cmfd_nofeed/model.xml
new file mode 100644
index 000000000..b3fe853b2
--- /dev/null
+++ b/tests/regression_tests/cmfd_nofeed/model.xml
@@ -0,0 +1,51 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material depletable="true" id="1">
+      <density units="g/cc" value="19.0" />
+      <nuclide name="U235" wo="0.21" />
+      <nuclide name="U238" wo="0.68" />
+      <nuclide name="O16" wo="0.11" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="-1 2 -3 4 -5 6" universe="0" />
+    <surface boundary="vacuum" coeffs="10.0" id="1" type="x-plane" />
+    <surface boundary="vacuum" coeffs="-10.0" id="2" type="x-plane" />
+    <surface boundary="reflective" coeffs="1.0" id="3" type="y-plane" />
+    <surface boundary="reflective" coeffs="-1.0" id="4" type="y-plane" />
+    <surface boundary="reflective" coeffs="1.0" id="5" type="z-plane" />
+    <surface boundary="reflective" coeffs="-1.0" id="6" type="z-plane" />
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>1000</particles>
+    <batches>20</batches>
+    <inactive>10</inactive>
+    <source strength="1.0">
+      <space type="box">
+        <parameters>-10.0 -1.0 -1.0 10.0 1.0 1.0</parameters>
+      </space>
+    </source>
+    <entropy_mesh>10</entropy_mesh>
+    <mesh id="10">
+      <dimension>10 1 1</dimension>
+      <lower_left>-10.0 -1.0 -1.0</lower_left>
+      <upper_right>10.0 1.0 1.0</upper_right>
+    </mesh>
+  </settings>
+  <tallies>
+    <mesh id="1">
+      <dimension>10 1 1</dimension>
+      <lower_left>-10.0 -1.0 -1.0</lower_left>
+      <upper_right>10.0 1.0 1.0</upper_right>
+    </mesh>
+    <filter id="1" type="mesh">
+      <bins>1</bins>
+    </filter>
+    <tally id="1">
+      <filters>1</filters>
+      <scores>flux</scores>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/cmfd_nofeed/settings.xml b/tests/regression_tests/cmfd_nofeed/settings.xml
deleted file mode 100644
index 24b0b6ab5..000000000
--- a/tests/regression_tests/cmfd_nofeed/settings.xml
+++ /dev/null
@@ -1,26 +0,0 @@
-<?xml version="1.0" encoding="UTF-8"?>
-<settings>
-
-  <!-- Parameters for criticality calculation -->
-  <run_mode>eigenvalue</run_mode>
-  <batches>20</batches>
-  <inactive>10</inactive>
-  <particles>1000</particles>
-
-  <!-- Starting source -->
-  <source>
-    <space>
-      <type>box</type>
-      <parameters>-10 -1 -1 10 1 1</parameters>
-    </space>
-  </source>
-
-  <!-- Shannon Entropy -->
-  <mesh id="10">
-    <dimension> 10 1 1 </dimension>
-    <lower_left> -10.0 -1.0 -1.0 </lower_left>
-    <upper_right> 10.0  1.0  1.0 </upper_right>
-  </mesh>
-  <entropy_mesh>10</entropy_mesh>
-
-</settings>
diff --git a/tests/regression_tests/cmfd_nofeed/tallies.xml b/tests/regression_tests/cmfd_nofeed/tallies.xml
deleted file mode 100644
index c86971114..000000000
--- a/tests/regression_tests/cmfd_nofeed/tallies.xml
+++ /dev/null
@@ -1,21 +0,0 @@
-<?xml version="1.0"?>
-<tallies>
-
-  <mesh id="1">
-    <type>regular</type>
-    <lower_left>-10 -1 -1 </lower_left>
-    <upper_right>10 1 1</upper_right>
-    <dimension>10 1 1</dimension>
-  </mesh>
-
-  <filter id="1">
-    <type>mesh</type>
-    <bins>1</bins>
-  </filter>
-
-  <tally id="1">
-    <filters>1</filters>
-    <scores>flux</scores>
-  </tally>
-
-</tallies>
diff --git a/tests/regression_tests/cmfd_restart/geometry.xml b/tests/regression_tests/cmfd_restart/geometry.xml
deleted file mode 100644
index 73ea679c4..000000000
--- a/tests/regression_tests/cmfd_restart/geometry.xml
+++ /dev/null
@@ -1,43 +0,0 @@
-<?xml version="1.0" encoding="UTF-8"?>
-<geometry>
-
-<!-- Definition of Cells -->
-  <cell id="1">
-    <universe>0</universe>
-    <region>-1 2 -3 4 -5 6</region>
-    <material>1</material>
-  </cell>
-
-<!-- Defition of Surfaces -->
-  <surface id="1">
-    <type>x-plane</type>
-    <coeffs>10</coeffs>
-    <boundary> vacuum </boundary>
-  </surface>
-  <surface id="2">
-    <type>x-plane</type>
-    <coeffs>-10</coeffs>
-    <boundary> vacuum </boundary>
-  </surface>
-  <surface id="3">
-    <type>y-plane</type>
-    <coeffs>1</coeffs>
-    <boundary>reflective</boundary>
-  </surface>
-  <surface id="4">
-    <type>y-plane</type>
-    <coeffs>-1</coeffs>
-    <boundary>reflective</boundary>
-  </surface>
-  <surface id="5">
-    <type>z-plane</type>
-    <coeffs>1</coeffs>
-    <boundary>reflective</boundary>
-  </surface>
-  <surface id="6">
-    <type>z-plane</type>
-    <coeffs>-1</coeffs>
-    <boundary>reflective</boundary>
-  </surface>
-
-</geometry>
diff --git a/tests/regression_tests/cmfd_restart/materials.xml b/tests/regression_tests/cmfd_restart/materials.xml
deleted file mode 100644
index 70580e3a8..000000000
--- a/tests/regression_tests/cmfd_restart/materials.xml
+++ /dev/null
@@ -1,12 +0,0 @@
-<?xml version="1.0"?>
-<materials>
-
-  <!-- Definition of materials -->
-  <material id="1">
-    <density value="19" units="g/cc" />
-    <nuclide name="U235" wo="0.21" />
-    <nuclide name="U238" wo="0.68" />
-    <nuclide name="O16" wo="0.11" />
-  </material>
-
-</materials>
diff --git a/tests/regression_tests/cmfd_restart/model.xml b/tests/regression_tests/cmfd_restart/model.xml
new file mode 100644
index 000000000..487e9b66d
--- /dev/null
+++ b/tests/regression_tests/cmfd_restart/model.xml
@@ -0,0 +1,54 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material depletable="true" id="1">
+      <density units="g/cc" value="19.0" />
+      <nuclide name="U235" wo="0.21" />
+      <nuclide name="U238" wo="0.68" />
+      <nuclide name="O16" wo="0.11" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="-1 2 -3 4 -5 6" universe="0" />
+    <surface boundary="vacuum" coeffs="10.0" id="1" type="x-plane" />
+    <surface boundary="vacuum" coeffs="-10.0" id="2" type="x-plane" />
+    <surface boundary="reflective" coeffs="1.0" id="3" type="y-plane" />
+    <surface boundary="reflective" coeffs="-1.0" id="4" type="y-plane" />
+    <surface boundary="reflective" coeffs="1.0" id="5" type="z-plane" />
+    <surface boundary="reflective" coeffs="-1.0" id="6" type="z-plane" />
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>1000</particles>
+    <batches>20</batches>
+    <inactive>10</inactive>
+    <source strength="1.0">
+      <space type="box">
+        <parameters>-10.0 -1.0 -1.0 10.0 1.0 1.0</parameters>
+      </space>
+    </source>
+    <state_point>
+      <batches>15 20</batches>
+    </state_point>
+    <entropy_mesh>10</entropy_mesh>
+    <mesh id="10">
+      <dimension>10 1 1</dimension>
+      <lower_left>-10.0 -1.0 -1.0</lower_left>
+      <upper_right>10.0 1.0 1.0</upper_right>
+    </mesh>
+  </settings>
+  <tallies>
+    <mesh id="1">
+      <dimension>10 1 1</dimension>
+      <lower_left>-10.0 -1.0 -1.0</lower_left>
+      <upper_right>10.0 1.0 1.0</upper_right>
+    </mesh>
+    <filter id="1" type="mesh">
+      <bins>1</bins>
+    </filter>
+    <tally id="1">
+      <filters>1</filters>
+      <scores>flux</scores>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/cmfd_restart/settings.xml b/tests/regression_tests/cmfd_restart/settings.xml
deleted file mode 100644
index ba5495911..000000000
--- a/tests/regression_tests/cmfd_restart/settings.xml
+++ /dev/null
@@ -1,28 +0,0 @@
-<?xml version="1.0" encoding="UTF-8"?>
-<settings>
-
-  <!-- Parameters for criticality calculation -->
-  <run_mode>eigenvalue</run_mode>
-  <batches>20</batches>
-  <inactive>10</inactive>
-  <particles>1000</particles>
-
-  <!-- Starting source -->
-  <source>
-    <space>
-      <type>box</type>
-      <parameters>-10 -1 -1 10 1 1</parameters>
-    </space>
-  </source>
-
-  <!-- Shannon Entropy -->
-  <mesh id="10">
-    <dimension> 10 1 1 </dimension>
-    <lower_left> -10.0 -1.0 -1.0 </lower_left>
-    <upper_right> 10.0  1.0  1.0 </upper_right>
-  </mesh>
-  <entropy_mesh>10</entropy_mesh>
-
-  <state_point batches="15 20" />
-
-</settings>
diff --git a/tests/regression_tests/cmfd_restart/tallies.xml b/tests/regression_tests/cmfd_restart/tallies.xml
deleted file mode 100644
index c86971114..000000000
--- a/tests/regression_tests/cmfd_restart/tallies.xml
+++ /dev/null
@@ -1,21 +0,0 @@
-<?xml version="1.0"?>
-<tallies>
-
-  <mesh id="1">
-    <type>regular</type>
-    <lower_left>-10 -1 -1 </lower_left>
-    <upper_right>10 1 1</upper_right>
-    <dimension>10 1 1</dimension>
-  </mesh>
-
-  <filter id="1">
-    <type>mesh</type>
-    <bins>1</bins>
-  </filter>
-
-  <tally id="1">
-    <filters>1</filters>
-    <scores>flux</scores>
-  </tally>
-
-</tallies>
diff --git a/tests/regression_tests/filter_distribcell/case-4/geometry.xml b/tests/regression_tests/filter_distribcell/case-4/geometry.xml
deleted file mode 100644
index c835218bc..000000000
--- a/tests/regression_tests/filter_distribcell/case-4/geometry.xml
+++ /dev/null
@@ -1,23 +0,0 @@
-<?xml version='1.0' encoding='utf-8'?>
-<geometry>
-    <cell fill="5" id="1" name="Cell 1" region="1 -2 3 -4" universe="0" />
-<cell id="101" material="1" name="cell 2" region="-5" universe="1" />
-<cell id="102" material="2" name="cell 3" region="5" universe="1" />
-<cell id="500" material="2" name="cell 4" region="" universe="3" />
-<hex_lattice id="5" n_rings="2">
-        <pitch>1.0</pitch>
-    <outer>3</outer>
-    <center>0.0 0.0</center>
-    <universes>
- 1
-1 1
- 1
-1 1
- 1</universes>
-    </hex_lattice>
-<surface boundary="vacuum" coeffs="-3" id="1" name="left" type="x-plane" />
-<surface boundary="vacuum" coeffs="3" id="2" name="right" type="x-plane" />
-<surface boundary="vacuum" coeffs="-4" id="3" name="bottom" type="y-plane" />
-<surface boundary="vacuum" coeffs="4" id="4" name="top" type="y-plane" />
-<surface boundary="transmission" coeffs="0 0 0.4" id="5" type="z-cylinder" />
-</geometry>
diff --git a/tests/regression_tests/filter_distribcell/case-4/materials.xml b/tests/regression_tests/filter_distribcell/case-4/materials.xml
deleted file mode 100644
index 2eb744fe6..000000000
--- a/tests/regression_tests/filter_distribcell/case-4/materials.xml
+++ /dev/null
@@ -1,19 +0,0 @@
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-    <material id="1" name="fuel">
-      <density units="g/cc" value="4.5" />
-      <nuclide ao="1.0" name="U235" />
-    </material>
-
-    <material id="2" name="moderator">
-      <density units="g/cc" value="1.0" />
-      <nuclide ao="1.0" name="O16" />
-      <nuclide ao="2.0" name="H1" />
-      <sab name="c_H_in_H2O" />
-    </material>
-
-    <material id="3" name="iron">
-      <density units="g/cc" value="7.9" />
-      <nuclide ao="1.0" name="Fe56" />
-    </material>
-</materials>
diff --git a/tests/regression_tests/filter_distribcell/case-4/model.xml b/tests/regression_tests/filter_distribcell/case-4/model.xml
new file mode 100644
index 000000000..869421919
--- /dev/null
+++ b/tests/regression_tests/filter_distribcell/case-4/model.xml
@@ -0,0 +1,61 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material depletable="true" id="1" name="fuel">
+      <density units="g/cc" value="4.5" />
+      <nuclide ao="1.0" name="U235" />
+    </material>
+    <material id="2" name="moderator">
+      <density units="g/cc" value="1.0" />
+      <nuclide ao="1.0" name="O16" />
+      <nuclide ao="2.0" name="H1" />
+      <sab name="c_H_in_H2O" />
+    </material>
+    <material id="3" name="iron">
+      <density units="g/cc" value="7.9" />
+      <nuclide ao="1.0" name="Fe56" />
+    </material>
+  </materials>
+  <geometry>
+    <cell fill="5" id="1" name="Cell 1" region="1 -2 3 -4" universe="0" />
+    <cell id="101" material="1" name="cell 2" region="-5" universe="1" />
+    <cell id="102" material="2" name="cell 3" region="5" universe="1" />
+    <cell id="500" material="2" name="cell 4" universe="3" />
+    <hex_lattice id="5" n_rings="2">
+      <pitch>1.0</pitch>
+      <outer>3</outer>
+      <center>0.0 0.0</center>
+      <universes>
+ 1
+1 1
+ 1
+1 1
+ 1</universes>
+    </hex_lattice>
+    <surface boundary="vacuum" coeffs="-3.0" id="1" name="left" type="x-plane" />
+    <surface boundary="vacuum" coeffs="3.0" id="2" name="right" type="x-plane" />
+    <surface boundary="vacuum" coeffs="-4.0" id="3" name="bottom" type="y-plane" />
+    <surface boundary="vacuum" coeffs="4.0" id="4" name="top" type="y-plane" />
+    <surface coeffs="0.0 0.0 0.4" id="5" type="z-cylinder" />
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>1000</particles>
+    <batches>1</batches>
+    <inactive>0</inactive>
+    <source strength="1.0">
+      <space type="box">
+        <parameters>-1.0 -1.0 -1.0 1.0 1.0 1.0</parameters>
+      </space>
+    </source>
+  </settings>
+  <tallies>
+    <filter id="1" type="distribcell">
+      <bins>101</bins>
+    </filter>
+    <tally id="1">
+      <filters>1</filters>
+      <scores>total</scores>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/filter_distribcell/case-4/settings.xml b/tests/regression_tests/filter_distribcell/case-4/settings.xml
deleted file mode 100644
index f3f0779bc..000000000
--- a/tests/regression_tests/filter_distribcell/case-4/settings.xml
+++ /dev/null
@@ -1,12 +0,0 @@
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>eigenvalue</run_mode>
-  <particles>1000</particles>
-  <batches>1</batches>
-  <inactive>0</inactive>
-  <source>
-    <space type="box">
-      <parameters>-1 -1 -1 1 1 1</parameters>
-    </space>
-  </source>
-</settings>
diff --git a/tests/regression_tests/filter_distribcell/case-4/tallies.xml b/tests/regression_tests/filter_distribcell/case-4/tallies.xml
deleted file mode 100644
index b923c030b..000000000
--- a/tests/regression_tests/filter_distribcell/case-4/tallies.xml
+++ /dev/null
@@ -1,14 +0,0 @@
-<?xml version='1.0' encoding='utf-8'?>
-<tallies>
-
-  <filter id="1">
-    <type>distribcell</type>
-    <bins>101</bins>
-  </filter>
-
-  <tally id="1">
-    <filters>1</filters>
-    <scores>total</scores>
-  </tally>
-
-</tallies>
diff --git a/tests/regression_tests/infinite_cell/geometry.xml b/tests/regression_tests/infinite_cell/geometry.xml
deleted file mode 100644
index 90bd2233b..000000000
--- a/tests/regression_tests/infinite_cell/geometry.xml
+++ /dev/null
@@ -1,17 +0,0 @@
-<?xml version="1.0"?>
-<geometry>
-  <cell id="11" universe="11" material="1"/>
-  <cell id="12" universe="12" material="2" region=""/>
-
-  <lattice id="21" dimension="2 2" lower_left="-2.0 -2.0"
-    pitch="2.0 2.0" outer="12">
-    <universes>
-      11 12
-      12 11
-    </universes>
-  </lattice>
-
-
-  <surface id="101" type="z-cylinder" coeffs="0.0 0.0 5.0" boundary="vacuum"/>
-  <cell id="101" universe="0" fill="21" region="-101"/>
-</geometry>
diff --git a/tests/regression_tests/infinite_cell/materials.xml b/tests/regression_tests/infinite_cell/materials.xml
deleted file mode 100644
index 6acd8df74..000000000
--- a/tests/regression_tests/infinite_cell/materials.xml
+++ /dev/null
@@ -1,14 +0,0 @@
-<?xml version="1.0"?>
-<materials>
-
-  <material id="1">
-    <density value="4.5" units="g/cc" />
-    <nuclide name="U235" ao="1.0" />
-  </material>
-
-  <material id="2">
-    <density value="4.5" units="g/cc" />
-    <nuclide name="U238" ao="1.0" />
-  </material>
-
-</materials>
diff --git a/tests/regression_tests/infinite_cell/model.xml b/tests/regression_tests/infinite_cell/model.xml
new file mode 100644
index 000000000..0f741a86d
--- /dev/null
+++ b/tests/regression_tests/infinite_cell/model.xml
@@ -0,0 +1,39 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material depletable="true" id="1">
+      <density units="g/cc" value="4.5" />
+      <nuclide ao="1.0" name="U235" />
+    </material>
+    <material depletable="true" id="2">
+      <density units="g/cc" value="4.5" />
+      <nuclide ao="1.0" name="U238" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="11" material="1" universe="11" />
+    <cell id="12" material="2" universe="12" />
+    <cell fill="21" id="101" region="-101" universe="0" />
+    <lattice id="21">
+      <pitch>2.0 2.0</pitch>
+      <outer>12</outer>
+      <dimension>2 2</dimension>
+      <lower_left>-2.0 -2.0</lower_left>
+      <universes>
+11 12 
+12 11 </universes>
+    </lattice>
+    <surface boundary="vacuum" coeffs="0.0 0.0 5.0" id="101" type="z-cylinder" />
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>1000</particles>
+    <batches>10</batches>
+    <inactive>5</inactive>
+    <source strength="1.0">
+      <space type="box">
+        <parameters>-4.0 -4.0 -4.0 4.0 4.0 4.0</parameters>
+      </space>
+    </source>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/infinite_cell/settings.xml b/tests/regression_tests/infinite_cell/settings.xml
deleted file mode 100644
index 70b4e802f..000000000
--- a/tests/regression_tests/infinite_cell/settings.xml
+++ /dev/null
@@ -1,15 +0,0 @@
-<?xml version="1.0"?>
-<settings>
-
-  <run_mode>eigenvalue</run_mode>
-  <batches>10</batches>
-  <inactive>5</inactive>
-  <particles>1000</particles>
-
-  <source>
-    <space type="box">
-      <parameters>-4 -4 -4  4  4  4</parameters>
-    </space>
-  </source>
-
-</settings>
diff --git a/tests/regression_tests/mg_temperature/build_2g.py b/tests/regression_tests/mg_temperature/build_2g.py
index 1256ca0f7..42f948be1 100644
--- a/tests/regression_tests/mg_temperature/build_2g.py
+++ b/tests/regression_tests/mg_temperature/build_2g.py
@@ -1,297 +1,296 @@
-import openmc
-import numpy as np
-
-names = ['H', 'O', 'Zr', 'U235', 'U238']
-
-
-def build_openmc_xs_lib(name, groups, temperatures, xsdict, micro=True):
-    """Build an Openm XSdata based on dictionary values"""
-    xsdata = openmc.XSdata(name, groups, temperatures=temperatures)
-    xsdata.order = 0
-    for tt in temperatures:
-        xsdata.set_absorption(xsdict[tt]['absorption'][name], temperature=tt)
-        xsdata.set_scatter_matrix(xsdict[tt]['scatter'][name], temperature=tt)
-        xsdata.set_total(xsdict[tt]['total'][name], temperature=tt)
-        if (name in xsdict[tt]['nu-fission'].keys()):
-            xsdata.set_nu_fission(xsdict[tt]['nu-fission'][name],
-                                  temperature=tt)
-            xsdata.set_chi(np.array([1., 0.]), temperature=tt)
-    return xsdata
-
-
-def create_micro_xs_dict():
-    """Returns micro xs library"""
-    xs_micro = {}
-    reactions = ['absorption', 'total', 'scatter', 'nu-fission']
-    # chi is unnecessary  when energy bound is in thermal region
-    # Temperature 300K
-    # absorption
-    xs_micro[300] = {r: {} for r in reactions}
-    xs_micro[300]['absorption']['H'] = np.array([1.0285E-4, 0.0057])
-    xs_micro[300]['absorption']['O'] = np.array([7.1654E-5, 3.0283E-6])
-    xs_micro[300]['absorption']['Zr'] = np.array([4.5918E-5, 3.6303E-5])
-    xs_micro[300]['absorption']['U235'] = np.array([0.0035, 0.1040])
-    xs_micro[300]['absorption']['U238'] = np.array([0.0056, 0.0094])
-    # nu-scatter matrix
-    xs_micro[300]['scatter']['H'] = np.array([[[0.0910, 0.01469],
-                                               [0.0, 0.3316]]])
-    xs_micro[300]['scatter']['O'] = np.array([[[0.0814, 3.3235E-4],
-                                               [0.0, 0.0960]]])
-    xs_micro[300]['scatter']['Zr'] = np.array([[[0.0311, 2.6373E-5],
-                                                [0.0, 0.0315]]])
-    xs_micro[300]['scatter']['U235'] = np.array([[[0.0311, 2.6373E-5],
-                                                  [0.0, 0.0315]]])
-    xs_micro[300]['scatter']['U238'] = np.array([[[0.0551, 2.2341E-5],
-                                                  [0.0, 0.0526]]])
-    # nu-fission
-    xs_micro[300]['nu-fission']['U235'] = np.array([0.0059, 0.2160])
-    xs_micro[300]['nu-fission']['U238'] = np.array([0.0019, 1.4627E-7])
-    # total
-    xs_micro[300]['total']['H'] = xs_micro[300]['absorption']['H'] + \
-                                  np.sum(xs_micro[300]['scatter']['H'][0], 1)
-    xs_micro[300]['total']['O'] = xs_micro[300]['absorption']['O'] + \
-                                  np.sum(xs_micro[300]['scatter']['O'][0], 1)
-
-    xs_micro[300]['total']['Zr'] = xs_micro[300]['absorption']['Zr'] + \
-                                   np.sum(xs_micro[300]['scatter']['Zr'][0], 1)
-
-    xs_micro[300]['total']['U235'] = xs_micro[300]['absorption']['U235'] + \
-                                     np.sum(xs_micro[300]['scatter']['U235'][0], 1)
-
-    xs_micro[300]['total']['U238'] = xs_micro[300]['absorption']['U238'] + \
-                                     np.sum(xs_micro[300]['scatter']['U238'][0], 1)
-
-    # Temperature 600K
-    xs_micro[600] = {r: {} for r in reactions}
-    # absorption
-    xs_micro[600]['absorption']['H'] = np.array([1.0356E-4, 0.0046])
-    xs_micro[600]['absorption']['O'] = np.array([7.2678E-5, 2.4963E-6])
-    xs_micro[600]['absorption']['Zr'] = np.array([4.7256E-5, 2.9757E-5])
-    xs_micro[600]['absorption']['U235'] = np.array([0.0035, 0.0853])
-    xs_micro[600]['absorption']['U238'] = np.array([0.0058, 0.0079])
-    # nu-scatter matrix
-    xs_micro[600]['scatter']['H'] = np.array([[[0.0910, 0.0138],
-                                               [0.0, 0.3316]]])
-    xs_micro[600]['scatter']['O'] = np.array([[[0.0814, 3.5367E-4],
-                                               [0.0, 0.0959]]])
-    xs_micro[600]['scatter']['Zr'] = np.array([[[0.0311, 3.2293E-5],
-                                                [0.0, 0.0314]]])
-    xs_micro[600]['scatter']['U235'] = np.array([[[0.0022, 1.9763E-6],
-                                                  [9.1634E-8, 0.0039]]])
-    xs_micro[600]['scatter']['U238'] = np.array([[[0.0556, 2.8803E-5],
-                                                  [0.0, 0.0536]]])
-    # nu-fission
-    xs_micro[600]['nu-fission']['U235'] = np.array([0.0059, 0.1767])
-    xs_micro[600]['nu-fission']['U238'] = np.array([0.0019, 1.2405E-7])
-    # total
-    xs_micro[600]['total']['H'] = xs_micro[600]['absorption']['H'] + \
-                                  np.sum(xs_micro[600]['scatter']['H'][0], 1)
-    xs_micro[600]['total']['O'] = xs_micro[600]['absorption']['O'] + \
-                                  np.sum(xs_micro[600]['scatter']['O'][0], 1)
-
-    xs_micro[600]['total']['Zr'] = xs_micro[600]['absorption']['Zr'] + \
-                                   np.sum(xs_micro[600]['scatter']['Zr'][0], 1)
-
-    xs_micro[600]['total']['U235'] = xs_micro[600]['absorption']['U235'] + \
-                                     np.sum(xs_micro[600]['scatter']['U235'][0], 1)
-
-    xs_micro[600]['total']['U238'] = xs_micro[600]['absorption']['U238'] + \
-                                     np.sum(xs_micro[600]['scatter']['U238'][0], 1)
-
-    # Temperature 900K
-    xs_micro[900] = {r: {} for r in reactions}
-    # absorption
-    xs_micro[900]['absorption']['H'] = np.array([1.0529E-4, 0.0040])
-    xs_micro[900]['absorption']['O'] = np.array([7.3055E-5, 2.1850E-6])
-    xs_micro[900]['absorption']['Zr'] = np.array([4.7141E-5, 2.5941E-5])
-    xs_micro[900]['absorption']['U235'] = np.array([0.0035, 0.0749])
-    xs_micro[900]['absorption']['U238'] = np.array([0.0060, 0.0071])
-    # total
-    xs_micro[900]['total']['H'] = np.array([0.2982, 0.7332])
-    xs_micro[900]['total']['O'] = np.array([0.0885, 0.1004])
-    xs_micro[900]['total']['Zr'] = np.array([0.0370, 0.0317])
-    xs_micro[900]['total']['U235'] = np.array([0.0061, 0.0789])
-    xs_micro[900]['total']['U238'] = np.array([0.0707, 0.0613])
-    # nu-scatter matrix
-    xs_micro[900]['scatter']['H'] = np.array([[[0.0913, 0.0147],
-                                               [0.0, 0.4020]]])
-    xs_micro[900]['scatter']['O'] = np.array([[[0.0812, 4.0413E-4],
-                                               [0.0, 0.0965]]])
-    xs_micro[900]['scatter']['Zr'] = np.array([[[0.0311, 3.6735E-5],
-                                                [0.0, 0.0314]]])
-    xs_micro[900]['scatter']['U235'] = np.array([[[0.0022, 2.9034E-6],
-                                                  [1.3117E-8, 0.0039]]])
-    xs_micro[900]['scatter']['U238'] = np.array([[[0.0560, 3.7619E-5],
-                                                  [0.0, 0.0538]]])
-    # nu-fission
-    xs_micro[900]['nu-fission']['U235'] = np.array([0.0059, 0.1545])
-    xs_micro[900]['nu-fission']['U238'] = np.array([0.0019, 1.1017E-7])
-    # total
-    xs_micro[900]['total']['H'] = xs_micro[900]['absorption']['H'] + \
-                                  np.sum(xs_micro[900]['scatter']['H'][0], 1)
-    xs_micro[900]['total']['O'] = xs_micro[900]['absorption']['O'] + \
-                                  np.sum(xs_micro[900]['scatter']['O'][0], 1)
-
-    xs_micro[900]['total']['Zr'] = xs_micro[900]['absorption']['Zr'] + \
-                                   np.sum(xs_micro[900]['scatter']['Zr'][0], 1)
-
-    xs_micro[900]['total']['U235'] = xs_micro[900]['absorption']['U235'] + \
-                                     np.sum(xs_micro[900]['scatter']['U235'][0], 1)
-
-    xs_micro[900]['total']['U238'] = xs_micro[900]['absorption']['U238'] + \
-                                     np.sum(xs_micro[900]['scatter']['U238'][0], 1)
-
-    # roll axis for scatter matrix
-    for t in xs_micro:
-        for n in xs_micro[t]['scatter']:
-            xs_micro[t]['scatter'][n] = np.rollaxis(xs_micro[t]['scatter'][n],
-                                                    0, 3)
-    return xs_micro
-
-
-def create_macro_dict(xs_micro):
-    """Create a dictionary with two group cross-section"""
-    xs_macro = {}
-    for t, d1 in xs_micro.items():
-        xs_macro[t] = {}
-        for r, d2 in d1.items():
-            temp = []
-            xs_macro[t][r] = {}
-            for n, v in d2.items():
-                temp.append(d2[n])
-            # The name 'macro' is needed to store data at the same level
-            # of a xs_macro dictionary as for xs_micro and use it in
-            # function build_openmc_xs_lib
-            xs_macro[t][r]['macro'] = sum(temp)
-    return xs_macro
-
-
-def create_openmc_2mg_libs(names):
-    """Built a micro/macro two group openmc MGXS libraries"""
-    # Initialized library params
-    group_edges = [0.0, 0.625, 20.0e6]
-    groups = openmc.mgxs.EnergyGroups(group_edges=group_edges)
-    mg_cross_sections_file_micro = openmc.MGXSLibrary(groups)
-    mg_cross_sections_file_macro = openmc.MGXSLibrary(groups)
-    # Building a micro mg library
-    micro_cs = create_micro_xs_dict()
-    for name in names:
-        mg_cross_sections_file_micro.add_xsdata(build_openmc_xs_lib(name,
-                                                                    groups,
-                                                                    [t for t in
-                                                                     micro_cs],
-                                                                    micro_cs))
-    # Building a macro mg library
-    macro_xs = create_macro_dict(micro_cs)
-    mg_cross_sections_file_macro.add_xsdata(build_openmc_xs_lib('macro',
-                                                                groups,
-                                                                [t for t in
-                                                                 macro_xs],
-                                                                macro_xs))
-    # Exporting library to hdf5 files
-    mg_cross_sections_file_micro.export_to_hdf5('micro_2g.h5')
-    mg_cross_sections_file_macro.export_to_hdf5('macro_2g.h5')
-    # Returning the macro_xs dict is needed for analytical solution
-    return macro_xs
-
-
-def analytical_solution_2g_therm(xsmin, xsmax=None, wgt=1.0):
-    """ Calculate eigenvalue based on analytical solution for eq Lf = (1/k)Qf
-    in two group for infinity dilution media in assumption of group
-    boundary in thermal spectra < 1.e+3 Ev
-    Parameters:
-    ----------
-    xsmin : dict
-        macro cross-sections dictionary with minimum range temperature
-    xsmax : dict
-        macro cross-sections dictionary with maximum range temperature
-        by default: None not used for standalone temperature
-    wgt : float
-        weight for interpolation by default 1.0
-    Returns:
-    -------
-    keff : np.float64
-       analytical eigenvalue of critical eq matrix
-    """
-    if xsmax is None:
-        sa = xsmin['absorption']['macro']
-        ss12 = xsmin['scatter']['macro'][0][1][0]
-        nsf = xsmin['nu-fission']['macro']
-    else:
-        sa = xsmin['absorption']['macro'] * wgt + \
-             xsmax['absorption']['macro'] * (1 - wgt)
-        ss12 = xsmin['scatter']['macro'][0][1][0] * wgt + \
-               xsmax['scatter']['macro'][0][1][0] * (1 - wgt)
-        nsf = xsmin['nu-fission']['macro'] * wgt + \
-              xsmax['nu-fission']['macro'] * (1 - wgt)
-    L = np.array([sa[0] + ss12, 0.0, -ss12, sa[1]]).reshape(2, 2)
-    Q = np.array([nsf[0], nsf[1], 0.0, 0.0]).reshape(2, 2)
-    arr = np.linalg.inv(L).dot(Q)
-    return np.amax(np.linalg.eigvals(arr))
-
-
-def build_inf_model(xsnames, xslibname, temperature, tempmethod='nearest'):
-    """ Building an infinite medium for openmc multi-group testing
-    Parameters:
-    ----------
-    xsnames : list of str()
-        list with xs names
-    xslibname:
-        name of hdf5 file with cross-section library
-    temperature : float
-        value of a current temperature in K
-    tempmethod : {'nearest', 'interpolation'}
-        by default 'nearest'
-    """
-    inf_medium = openmc.Material(name='test material', material_id=1)
-    inf_medium.set_density("sum")
-    for xs in xsnames:
-        inf_medium.add_nuclide(xs, 1)
-    INF = 11.1
-    # Instantiate a Materials collection and export to XML
-    materials_file = openmc.Materials([inf_medium])
-    materials_file.cross_sections = xslibname
-    materials_file.export_to_xml()
-
-    # Instantiate boundary Planes
-    min_x = openmc.XPlane(boundary_type='reflective', x0=-INF)
-    max_x = openmc.XPlane(boundary_type='reflective', x0=INF)
-    min_y = openmc.YPlane(boundary_type='reflective', y0=-INF)
-    max_y = openmc.YPlane(boundary_type='reflective', y0=INF)
-
-    # Instantiate a Cell
-    cell = openmc.Cell(cell_id=1, name='cell')
-    cell.temperature = temperature
-    # Register bounding Surfaces with the Cell
-    cell.region = +min_x & -max_x & +min_y & -max_y
-
-    # Fill the Cell with the Material
-    cell.fill = inf_medium
-
-    # Create root universe
-    root_universe = openmc.Universe(name='root universe', cells=[cell])
-
-    # Create Geometry and set root Universe
-    openmc_geometry = openmc.Geometry(root_universe)
-
-    # Export to "geometry.xml"
-    openmc_geometry.export_to_xml()
-
-    # OpenMC simulation parameters
-    batches = 200
-    inactive = 5
-    particles = 5000
-
-    # Instantiate a Settings object
-    settings_file = openmc.Settings()
-    settings_file.batches = batches
-    settings_file.inactive = inactive
-    settings_file.particles = particles
-    settings_file.energy_mode = 'multi-group'
-    settings_file.output = {'summary': False}
-    # Create an initial uniform spatial source distribution over fissionable zones
-    bounds = [-INF, -INF, -INF, INF, INF, INF]
-    uniform_dist = openmc.stats.Box(bounds[:3], bounds[3:], only_fissionable=True)
-    settings_file.temperature = {'method': tempmethod}
-    settings_file.source = openmc.Source(space=uniform_dist)
-    settings_file.export_to_xml()
+import openmc
+import numpy as np
+
+names = ['H', 'O', 'Zr', 'U235', 'U238']
+
+
+def build_openmc_xs_lib(name, groups, temperatures, xsdict, micro=True):
+    """Build an Openm XSdata based on dictionary values"""
+    xsdata = openmc.XSdata(name, groups, temperatures=temperatures)
+    xsdata.order = 0
+    for tt in temperatures:
+        xsdata.set_absorption(xsdict[tt]['absorption'][name], temperature=tt)
+        xsdata.set_scatter_matrix(xsdict[tt]['scatter'][name], temperature=tt)
+        xsdata.set_total(xsdict[tt]['total'][name], temperature=tt)
+        if (name in xsdict[tt]['nu-fission'].keys()):
+            xsdata.set_nu_fission(xsdict[tt]['nu-fission'][name],
+                                  temperature=tt)
+            xsdata.set_chi(np.array([1., 0.]), temperature=tt)
+    return xsdata
+
+
+def create_micro_xs_dict():
+    """Returns micro xs library"""
+    xs_micro = {}
+    reactions = ['absorption', 'total', 'scatter', 'nu-fission']
+    # chi is unnecessary  when energy bound is in thermal region
+    # Temperature 300K
+    # absorption
+    xs_micro[300] = {r: {} for r in reactions}
+    xs_micro[300]['absorption']['H'] = np.array([1.0285E-4, 0.0057])
+    xs_micro[300]['absorption']['O'] = np.array([7.1654E-5, 3.0283E-6])
+    xs_micro[300]['absorption']['Zr'] = np.array([4.5918E-5, 3.6303E-5])
+    xs_micro[300]['absorption']['U235'] = np.array([0.0035, 0.1040])
+    xs_micro[300]['absorption']['U238'] = np.array([0.0056, 0.0094])
+    # nu-scatter matrix
+    xs_micro[300]['scatter']['H'] = np.array([[[0.0910, 0.01469],
+                                               [0.0, 0.3316]]])
+    xs_micro[300]['scatter']['O'] = np.array([[[0.0814, 3.3235E-4],
+                                               [0.0, 0.0960]]])
+    xs_micro[300]['scatter']['Zr'] = np.array([[[0.0311, 2.6373E-5],
+                                                [0.0, 0.0315]]])
+    xs_micro[300]['scatter']['U235'] = np.array([[[0.0311, 2.6373E-5],
+                                                  [0.0, 0.0315]]])
+    xs_micro[300]['scatter']['U238'] = np.array([[[0.0551, 2.2341E-5],
+                                                  [0.0, 0.0526]]])
+    # nu-fission
+    xs_micro[300]['nu-fission']['U235'] = np.array([0.0059, 0.2160])
+    xs_micro[300]['nu-fission']['U238'] = np.array([0.0019, 1.4627E-7])
+    # total
+    xs_micro[300]['total']['H'] = xs_micro[300]['absorption']['H'] + \
+                                  np.sum(xs_micro[300]['scatter']['H'][0], 1)
+    xs_micro[300]['total']['O'] = xs_micro[300]['absorption']['O'] + \
+                                  np.sum(xs_micro[300]['scatter']['O'][0], 1)
+
+    xs_micro[300]['total']['Zr'] = xs_micro[300]['absorption']['Zr'] + \
+                                   np.sum(xs_micro[300]['scatter']['Zr'][0], 1)
+
+    xs_micro[300]['total']['U235'] = xs_micro[300]['absorption']['U235'] + \
+                                     np.sum(xs_micro[300]['scatter']['U235'][0], 1)
+
+    xs_micro[300]['total']['U238'] = xs_micro[300]['absorption']['U238'] + \
+                                     np.sum(xs_micro[300]['scatter']['U238'][0], 1)
+
+    # Temperature 600K
+    xs_micro[600] = {r: {} for r in reactions}
+    # absorption
+    xs_micro[600]['absorption']['H'] = np.array([1.0356E-4, 0.0046])
+    xs_micro[600]['absorption']['O'] = np.array([7.2678E-5, 2.4963E-6])
+    xs_micro[600]['absorption']['Zr'] = np.array([4.7256E-5, 2.9757E-5])
+    xs_micro[600]['absorption']['U235'] = np.array([0.0035, 0.0853])
+    xs_micro[600]['absorption']['U238'] = np.array([0.0058, 0.0079])
+    # nu-scatter matrix
+    xs_micro[600]['scatter']['H'] = np.array([[[0.0910, 0.0138],
+                                               [0.0, 0.3316]]])
+    xs_micro[600]['scatter']['O'] = np.array([[[0.0814, 3.5367E-4],
+                                               [0.0, 0.0959]]])
+    xs_micro[600]['scatter']['Zr'] = np.array([[[0.0311, 3.2293E-5],
+                                                [0.0, 0.0314]]])
+    xs_micro[600]['scatter']['U235'] = np.array([[[0.0022, 1.9763E-6],
+                                                  [9.1634E-8, 0.0039]]])
+    xs_micro[600]['scatter']['U238'] = np.array([[[0.0556, 2.8803E-5],
+                                                  [0.0, 0.0536]]])
+    # nu-fission
+    xs_micro[600]['nu-fission']['U235'] = np.array([0.0059, 0.1767])
+    xs_micro[600]['nu-fission']['U238'] = np.array([0.0019, 1.2405E-7])
+    # total
+    xs_micro[600]['total']['H'] = xs_micro[600]['absorption']['H'] + \
+                                  np.sum(xs_micro[600]['scatter']['H'][0], 1)
+    xs_micro[600]['total']['O'] = xs_micro[600]['absorption']['O'] + \
+                                  np.sum(xs_micro[600]['scatter']['O'][0], 1)
+
+    xs_micro[600]['total']['Zr'] = xs_micro[600]['absorption']['Zr'] + \
+                                   np.sum(xs_micro[600]['scatter']['Zr'][0], 1)
+
+    xs_micro[600]['total']['U235'] = xs_micro[600]['absorption']['U235'] + \
+                                     np.sum(xs_micro[600]['scatter']['U235'][0], 1)
+
+    xs_micro[600]['total']['U238'] = xs_micro[600]['absorption']['U238'] + \
+                                     np.sum(xs_micro[600]['scatter']['U238'][0], 1)
+
+    # Temperature 900K
+    xs_micro[900] = {r: {} for r in reactions}
+    # absorption
+    xs_micro[900]['absorption']['H'] = np.array([1.0529E-4, 0.0040])
+    xs_micro[900]['absorption']['O'] = np.array([7.3055E-5, 2.1850E-6])
+    xs_micro[900]['absorption']['Zr'] = np.array([4.7141E-5, 2.5941E-5])
+    xs_micro[900]['absorption']['U235'] = np.array([0.0035, 0.0749])
+    xs_micro[900]['absorption']['U238'] = np.array([0.0060, 0.0071])
+    # total
+    xs_micro[900]['total']['H'] = np.array([0.2982, 0.7332])
+    xs_micro[900]['total']['O'] = np.array([0.0885, 0.1004])
+    xs_micro[900]['total']['Zr'] = np.array([0.0370, 0.0317])
+    xs_micro[900]['total']['U235'] = np.array([0.0061, 0.0789])
+    xs_micro[900]['total']['U238'] = np.array([0.0707, 0.0613])
+    # nu-scatter matrix
+    xs_micro[900]['scatter']['H'] = np.array([[[0.0913, 0.0147],
+                                               [0.0, 0.4020]]])
+    xs_micro[900]['scatter']['O'] = np.array([[[0.0812, 4.0413E-4],
+                                               [0.0, 0.0965]]])
+    xs_micro[900]['scatter']['Zr'] = np.array([[[0.0311, 3.6735E-5],
+                                                [0.0, 0.0314]]])
+    xs_micro[900]['scatter']['U235'] = np.array([[[0.0022, 2.9034E-6],
+                                                  [1.3117E-8, 0.0039]]])
+    xs_micro[900]['scatter']['U238'] = np.array([[[0.0560, 3.7619E-5],
+                                                  [0.0, 0.0538]]])
+    # nu-fission
+    xs_micro[900]['nu-fission']['U235'] = np.array([0.0059, 0.1545])
+    xs_micro[900]['nu-fission']['U238'] = np.array([0.0019, 1.1017E-7])
+    # total
+    xs_micro[900]['total']['H'] = xs_micro[900]['absorption']['H'] + \
+                                  np.sum(xs_micro[900]['scatter']['H'][0], 1)
+    xs_micro[900]['total']['O'] = xs_micro[900]['absorption']['O'] + \
+                                  np.sum(xs_micro[900]['scatter']['O'][0], 1)
+
+    xs_micro[900]['total']['Zr'] = xs_micro[900]['absorption']['Zr'] + \
+                                   np.sum(xs_micro[900]['scatter']['Zr'][0], 1)
+
+    xs_micro[900]['total']['U235'] = xs_micro[900]['absorption']['U235'] + \
+                                     np.sum(xs_micro[900]['scatter']['U235'][0], 1)
+
+    xs_micro[900]['total']['U238'] = xs_micro[900]['absorption']['U238'] + \
+                                     np.sum(xs_micro[900]['scatter']['U238'][0], 1)
+
+    # roll axis for scatter matrix
+    for t in xs_micro:
+        for n in xs_micro[t]['scatter']:
+            xs_micro[t]['scatter'][n] = np.rollaxis(xs_micro[t]['scatter'][n],
+                                                    0, 3)
+    return xs_micro
+
+
+def create_macro_dict(xs_micro):
+    """Create a dictionary with two group cross-section"""
+    xs_macro = {}
+    for t, d1 in xs_micro.items():
+        xs_macro[t] = {}
+        for r, d2 in d1.items():
+            temp = []
+            xs_macro[t][r] = {}
+            for n, v in d2.items():
+                temp.append(d2[n])
+            # The name 'macro' is needed to store data at the same level
+            # of a xs_macro dictionary as for xs_micro and use it in
+            # function build_openmc_xs_lib
+            xs_macro[t][r]['macro'] = sum(temp)
+    return xs_macro
+
+
+def create_openmc_2mg_libs(names):
+    """Built a micro/macro two group openmc MGXS libraries"""
+    # Initialized library params
+    group_edges = [0.0, 0.625, 20.0e6]
+    groups = openmc.mgxs.EnergyGroups(group_edges=group_edges)
+    mg_cross_sections_file_micro = openmc.MGXSLibrary(groups)
+    mg_cross_sections_file_macro = openmc.MGXSLibrary(groups)
+    # Building a micro mg library
+    micro_cs = create_micro_xs_dict()
+    for name in names:
+        mg_cross_sections_file_micro.add_xsdata(build_openmc_xs_lib(name,
+                                                                    groups,
+                                                                    [t for t in
+                                                                     micro_cs],
+                                                                    micro_cs))
+    # Building a macro mg library
+    macro_xs = create_macro_dict(micro_cs)
+    mg_cross_sections_file_macro.add_xsdata(build_openmc_xs_lib('macro',
+                                                                groups,
+                                                                [t for t in
+                                                                 macro_xs],
+                                                                macro_xs))
+    # Exporting library to hdf5 files
+    mg_cross_sections_file_micro.export_to_hdf5('micro_2g.h5')
+    mg_cross_sections_file_macro.export_to_hdf5('macro_2g.h5')
+    # Returning the macro_xs dict is needed for analytical solution
+    return macro_xs
+
+
+def analytical_solution_2g_therm(xsmin, xsmax=None, wgt=1.0):
+    """ Calculate eigenvalue based on analytical solution for eq Lf = (1/k)Qf
+    in two group for infinity dilution media in assumption of group
+    boundary in thermal spectra < 1.e+3 Ev
+    Parameters:
+    ----------
+    xsmin : dict
+        macro cross-sections dictionary with minimum range temperature
+    xsmax : dict
+        macro cross-sections dictionary with maximum range temperature
+        by default: None not used for standalone temperature
+    wgt : float
+        weight for interpolation by default 1.0
+    Returns:
+    -------
+    keff : np.float64
+       analytical eigenvalue of critical eq matrix
+    """
+    if xsmax is None:
+        sa = xsmin['absorption']['macro']
+        ss12 = xsmin['scatter']['macro'][0][1][0]
+        nsf = xsmin['nu-fission']['macro']
+    else:
+        sa = xsmin['absorption']['macro'] * wgt + \
+             xsmax['absorption']['macro'] * (1 - wgt)
+        ss12 = xsmin['scatter']['macro'][0][1][0] * wgt + \
+               xsmax['scatter']['macro'][0][1][0] * (1 - wgt)
+        nsf = xsmin['nu-fission']['macro'] * wgt + \
+              xsmax['nu-fission']['macro'] * (1 - wgt)
+    L = np.array([sa[0] + ss12, 0.0, -ss12, sa[1]]).reshape(2, 2)
+    Q = np.array([nsf[0], nsf[1], 0.0, 0.0]).reshape(2, 2)
+    arr = np.linalg.inv(L).dot(Q)
+    return np.amax(np.linalg.eigvals(arr))
+
+
+def build_inf_model(xsnames, xslibname, temperature, tempmethod='nearest'):
+    """ Building an infinite medium for openmc multi-group testing
+    Parameters:
+    ----------
+    xsnames : list of str()
+        list with xs names
+    xslibname:
+        name of hdf5 file with cross-section library
+    temperature : float
+        value of a current temperature in K
+    tempmethod : {'nearest', 'interpolation'}
+        by default 'nearest'
+    """
+    model = openmc.Model()
+    inf_medium = openmc.Material(name='test material', material_id=1)
+    inf_medium.set_density("sum")
+    for xs in xsnames:
+        inf_medium.add_nuclide(xs, 1)
+    INF = 11.1
+    # Instantiate a Materials collection and export to XML
+    materials_file = openmc.Materials([inf_medium])
+    materials_file.cross_sections = xslibname
+    model.materials = materials_file
+
+    # Instantiate boundary Planes
+    min_x = openmc.XPlane(boundary_type='reflective', x0=-INF)
+    max_x = openmc.XPlane(boundary_type='reflective', x0=INF)
+    min_y = openmc.YPlane(boundary_type='reflective', y0=-INF)
+    max_y = openmc.YPlane(boundary_type='reflective', y0=INF)
+
+    # Instantiate a Cell
+    cell = openmc.Cell(cell_id=1, name='cell')
+    cell.temperature = temperature
+    # Register bounding Surfaces with the Cell
+    cell.region = +min_x & -max_x & +min_y & -max_y
+
+    # Fill the Cell with the Material
+    cell.fill = inf_medium
+
+    # Create root universe
+    root_universe = openmc.Universe(name='root universe', cells=[cell])
+
+    # Create Geometry and set root Universe
+    model.geometry = openmc.Geometry(root_universe)
+
+    # OpenMC simulation parameters
+    batches = 200
+    inactive = 5
+    particles = 5000
+
+    # Instantiate a Settings object
+    settings_file = openmc.Settings()
+    settings_file.batches = batches
+    settings_file.inactive = inactive
+    settings_file.particles = particles
+    settings_file.energy_mode = 'multi-group'
+    settings_file.output = {'summary': False}
+    # Create an initial uniform spatial source distribution over fissionable zones
+    bounds = [-INF, -INF, -INF, INF, INF, INF]
+    uniform_dist = openmc.stats.Box(bounds[:3], bounds[3:], only_fissionable=True)
+    settings_file.temperature = {'method': tempmethod}
+    settings_file.source = openmc.Source(space=uniform_dist)
+    model.settings = settings_file
+    model.export_to_model_xml()
diff --git a/tests/regression_tests/plot/geometry.xml b/tests/regression_tests/plot/geometry.xml
deleted file mode 100644
index 83619d9f7..000000000
--- a/tests/regression_tests/plot/geometry.xml
+++ /dev/null
@@ -1,13 +0,0 @@
-<?xml version="1.0"?>
-<geometry>
-
-  <surface id="1" type="z-cylinder" coeffs="0 0 2" />
-  <surface id="2" type="z-cylinder" coeffs="0 0 5" />
-  <surface id="3" type="z-cylinder" coeffs="0 0 10" boundary="vacuum" />
-  <surface id="4" type="y-plane" coeffs="5" boundary="vacuum" />
-
-  <cell id="1" material="1" region="  -1 -4" />
-  <cell id="2" material="3" region="1 -2 -4" />
-  <cell id="3" material="2" region="2 -3 -4" />
-
-</geometry>
diff --git a/tests/regression_tests/plot/materials.xml b/tests/regression_tests/plot/materials.xml
deleted file mode 100644
index 90b354267..000000000
--- a/tests/regression_tests/plot/materials.xml
+++ /dev/null
@@ -1,19 +0,0 @@
-<?xml version="1.0"?>
-<materials>
-
-  <material id="1">
-    <density value="4.5" units="g/cc" />
-    <nuclide name="U235" ao="1.0" />
-  </material>
-
-  <material id="2">
-    <density value="4.5" units="g/cc" />
-    <nuclide name="U235" ao="1.0" />
-  </material>
-
-  <material id="3">
-    <density value="4.5" units="g/cc" />
-    <nuclide name="U235" ao="1.0" />
-  </material>
-
-</materials>
diff --git a/tests/regression_tests/plot/model.xml b/tests/regression_tests/plot/model.xml
new file mode 100644
index 000000000..a63ff95da
--- /dev/null
+++ b/tests/regression_tests/plot/model.xml
@@ -0,0 +1,76 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material depletable="true" id="1">
+      <density units="g/cc" value="4.5" />
+      <nuclide ao="1.0" name="U235" />
+    </material>
+    <material depletable="true" id="2">
+      <density units="g/cc" value="4.5" />
+      <nuclide ao="1.0" name="U235" />
+    </material>
+    <material depletable="true" id="3">
+      <density units="g/cc" value="4.5" />
+      <nuclide ao="1.0" name="U235" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="-1 -4" universe="0" />
+    <cell id="2" material="3" region="1 -2 -4" universe="0" />
+    <cell id="3" material="2" region="2 -3 -4" universe="0" />
+    <surface coeffs="0.0 0.0 2.0" id="1" type="z-cylinder" />
+    <surface coeffs="0.0 0.0 5.0" id="2" type="z-cylinder" />
+    <surface boundary="vacuum" coeffs="0.0 0.0 10.0" id="3" type="z-cylinder" />
+    <surface boundary="vacuum" coeffs="5.0" id="4" type="y-plane" />
+  </geometry>
+  <settings>
+    <run_mode>plot</run_mode>
+    <entropy_mesh>1</entropy_mesh>
+    <mesh id="1">
+      <dimension>5 4 3</dimension>
+      <lower_left>-10.0 -10.0 -10.0</lower_left>
+      <upper_right>10.0 10.0 10.0</upper_right>
+    </mesh>
+  </settings>
+  <tallies>
+    <mesh id="2" type="rectilinear">
+      <x_grid>-10.0 10.0</x_grid>
+      <y_grid>-10.0 10.0</y_grid>
+      <z_grid>-10.0 0.0 5.0 7.5 8.75 10.0</z_grid>
+    </mesh>
+    <filter id="1" type="mesh">
+      <bins>2</bins>
+    </filter>
+    <tally id="1">
+      <filters>1</filters>
+      <scores>total</scores>
+    </tally>
+  </tallies>
+  <plots>
+    <plot basis="xy" color_by="cell" id="1" type="slice">
+      <origin>0.0 0.0 0.0</origin>
+      <width>25.0 25.0</width>
+      <pixels>200 200</pixels>
+      <color id="1" rgb="255 0 0" />
+      <meshlines linewidth="0" meshtype="entropy" />
+    </plot>
+    <plot basis="xz" color_by="cell" id="2" type="slice">
+      <origin>0.0 0.0 0.0</origin>
+      <width>25.0 25.0</width>
+      <pixels>200 200</pixels>
+      <mask background="255 255 255" components="1 3" />
+      <meshlines id="2" linewidth="0" meshtype="tally" />
+    </plot>
+    <plot basis="yz" color_by="material" id="3" type="slice">
+      <origin>0.0 0.0 0.0</origin>
+      <width>25.0 25.0</width>
+      <pixels>200 200</pixels>
+      <background>0 0 0</background>
+    </plot>
+    <plot color_by="cell" id="4" type="voxel">
+      <origin>0.0 0.0 0.0</origin>
+      <width>20.0 20.0 10.0</width>
+      <pixels>100 100 10</pixels>
+    </plot>
+  </plots>
+</model>
diff --git a/tests/regression_tests/plot/plots.xml b/tests/regression_tests/plot/plots.xml
deleted file mode 100644
index ce63da144..000000000
--- a/tests/regression_tests/plot/plots.xml
+++ /dev/null
@@ -1,33 +0,0 @@
-<?xml version="1.0"?>
-<plots>
-
-  <plot id="1" basis="xy">
-    <origin>0. 0. 0.</origin>
-    <width>25 25</width>
-    <pixels>200 200</pixels>
-    <color id="1" rgb="255 0 0" /> <!-- Red -->
-    <meshlines meshtype="entropy" linewidth="0" />
-  </plot>
-
-  <plot id="2" basis="xz">
-    <origin>0. 0. 0.</origin>
-    <width>25 25</width>
-    <pixels>200 200</pixels>
-    <mask components="1 3" background="255 255 255" />
-    <meshlines meshtype="tally" id="2" linewidth="0" />
-  </plot>
-
-  <plot id="3" basis="yz" color_by="material">
-    <origin>0. 0. 0.</origin>
-    <width>25 25</width>
-    <pixels>200 200</pixels>
-    <background>0 0 0</background>
-  </plot>
-
-  <plot id="4" type="voxel">
-    <pixels>100 100 10</pixels>
-    <origin>0. 0. 0.</origin>
-    <width>20 20 10</width>
-  </plot>
-
-</plots>
diff --git a/tests/regression_tests/plot/settings.xml b/tests/regression_tests/plot/settings.xml
deleted file mode 100644
index adf256d2d..000000000
--- a/tests/regression_tests/plot/settings.xml
+++ /dev/null
@@ -1,13 +0,0 @@
-<?xml version="1.0"?>
-<settings>
-
-  <run_mode>plot</run_mode>
-
-  <mesh id="1">
-    <dimension>5 4 3</dimension>
-    <lower_left>-10 -10 -10</lower_left>
-    <upper_right>10 10 10</upper_right>
-  </mesh>
-  <entropy_mesh>1</entropy_mesh>
-
-</settings>
diff --git a/tests/regression_tests/plot/tallies.xml b/tests/regression_tests/plot/tallies.xml
deleted file mode 100644
index b7e678ca0..000000000
--- a/tests/regression_tests/plot/tallies.xml
+++ /dev/null
@@ -1,20 +0,0 @@
-<?xml version="1.0"?>
-<tallies>
-
-  <mesh id="2" type="rectilinear">
-    <x_grid>-10 10</x_grid>
-    <y_grid>-10 10</y_grid>
-    <z_grid>-10 0 5 7.5 8.75 10</z_grid>
-  </mesh>
-
-  <filter id="1">
-    <type>mesh</type>
-    <bins>2</bins>
-  </filter>
-
-  <tally id="1">
-    <filters>1</filters>
-    <scores>total</scores>
-  </tally>
-
-</tallies>
diff --git a/tests/regression_tests/plot_overlaps/geometry.xml b/tests/regression_tests/plot_overlaps/geometry.xml
deleted file mode 100644
index 7a9f1fb41..000000000
--- a/tests/regression_tests/plot_overlaps/geometry.xml
+++ /dev/null
@@ -1,14 +0,0 @@
-<?xml version="1.0"?>
-<geometry>
-
-  <surface id="1" type="z-cylinder" coeffs="0 0 2" />
-  <surface id="20" type="z-cylinder" coeffs="0 0 5.5" />
-  <surface id="2" type="z-cylinder" coeffs="0 0 5" />
-  <surface id="3" type="z-cylinder" coeffs="0 0 10" boundary="vacuum" />
-  <surface id="4" type="y-plane" coeffs="5" boundary="vacuum" />
-
-  <cell id="1" material="1" region="  -1 -4" />
-  <cell id="2" material="3" region="1 -20 -4" />
-  <cell id="3" material="2" region="2 -3 -4" />
-
-</geometry>
diff --git a/tests/regression_tests/plot_overlaps/materials.xml b/tests/regression_tests/plot_overlaps/materials.xml
deleted file mode 100644
index 90b354267..000000000
--- a/tests/regression_tests/plot_overlaps/materials.xml
+++ /dev/null
@@ -1,19 +0,0 @@
-<?xml version="1.0"?>
-<materials>
-
-  <material id="1">
-    <density value="4.5" units="g/cc" />
-    <nuclide name="U235" ao="1.0" />
-  </material>
-
-  <material id="2">
-    <density value="4.5" units="g/cc" />
-    <nuclide name="U235" ao="1.0" />
-  </material>
-
-  <material id="3">
-    <density value="4.5" units="g/cc" />
-    <nuclide name="U235" ao="1.0" />
-  </material>
-
-</materials>
diff --git a/tests/regression_tests/plot_overlaps/model.xml b/tests/regression_tests/plot_overlaps/model.xml
new file mode 100644
index 000000000..e3b65d45d
--- /dev/null
+++ b/tests/regression_tests/plot_overlaps/model.xml
@@ -0,0 +1,65 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material depletable="true" id="1">
+      <density units="g/cc" value="4.5" />
+      <nuclide ao="1.0" name="U235" />
+    </material>
+    <material depletable="true" id="2">
+      <density units="g/cc" value="4.5" />
+      <nuclide ao="1.0" name="U235" />
+    </material>
+    <material depletable="true" id="3">
+      <density units="g/cc" value="4.5" />
+      <nuclide ao="1.0" name="U235" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="-1 -4" universe="0" />
+    <cell id="2" material="3" region="1 -20 -4" universe="0" />
+    <cell id="3" material="2" region="2 -3 -4" universe="0" />
+    <surface coeffs="0.0 0.0 2.0" id="1" type="z-cylinder" />
+    <surface coeffs="0.0 0.0 5.0" id="2" type="z-cylinder" />
+    <surface boundary="vacuum" coeffs="0.0 0.0 10.0" id="3" type="z-cylinder" />
+    <surface boundary="vacuum" coeffs="5.0" id="4" type="y-plane" />
+    <surface coeffs="0.0 0.0 5.5" id="20" type="z-cylinder" />
+  </geometry>
+  <settings>
+    <run_mode>plot</run_mode>
+    <entropy_mesh>1</entropy_mesh>
+    <mesh id="1">
+      <dimension>5 4 3</dimension>
+      <lower_left>-10.0 -10.0 -10.0</lower_left>
+      <upper_right>10.0 10.0 10.0</upper_right>
+    </mesh>
+  </settings>
+  <plots>
+    <plot basis="xy" color_by="cell" id="1" type="slice">
+      <origin>0.0 0.0 0.0</origin>
+      <width>25.0 25.0</width>
+      <pixels>200 200</pixels>
+      <color id="1" rgb="255 0 0" />
+      <show_overlaps>true</show_overlaps>
+      <meshlines id="1" linewidth="0" meshtype="entropy" />
+    </plot>
+    <plot basis="xz" color_by="cell" id="2" type="slice">
+      <origin>0.0 0.0 0.0</origin>
+      <width>25.0 25.0</width>
+      <pixels>200 200</pixels>
+      <mask background="255 255 255" components="1 3" />
+      <show_overlaps>true</show_overlaps>
+      <overlap_color>255 211 0</overlap_color>
+    </plot>
+    <plot basis="yz" color_by="material" id="3" type="slice">
+      <origin>0.0 0.0 0.0</origin>
+      <width>25.0 25.0</width>
+      <pixels>200 200</pixels>
+      <background>0 0 0</background>
+    </plot>
+    <plot color_by="cell" id="4" type="voxel">
+      <origin>0.0 0.0 0.0</origin>
+      <width>20.0 20.0 10.0</width>
+      <pixels>100 100 10</pixels>
+    </plot>
+  </plots>
+</model>
diff --git a/tests/regression_tests/plot_overlaps/plots.xml b/tests/regression_tests/plot_overlaps/plots.xml
deleted file mode 100644
index 28064f58f..000000000
--- a/tests/regression_tests/plot_overlaps/plots.xml
+++ /dev/null
@@ -1,35 +0,0 @@
-<?xml version="1.0"?>
-<plots>
-
-  <plot id="1" basis="xy">
-    <origin>0. 0. 0.</origin>
-    <width>25 25</width>
-    <pixels>200 200</pixels>
-    <color id="1" rgb="255 0 0" /> <!-- Red -->
-    <meshlines meshtype="entropy" linewidth="0" />
-    <show_overlaps>true</show_overlaps>
-  </plot>
-
-  <plot id="2" basis="xz">
-    <origin>0. 0. 0.</origin>
-    <width>25 25</width>
-    <pixels>200 200</pixels>
-    <mask components="1 3" background="255 255 255" />
-    <show_overlaps>true</show_overlaps>
-    <overlap_color>255 211 0</overlap_color>
-  </plot>
-
-  <plot id="3" basis="yz" color_by="material">
-    <origin>0. 0. 0.</origin>
-    <width>25 25</width>
-    <pixels>200 200</pixels>
-    <background>0 0 0</background>
-  </plot>
-
-  <plot id="4" type="voxel">
-    <pixels>100 100 10</pixels>
-    <origin>0. 0. 0.</origin>
-    <width>20 20 10</width>
-  </plot>
-
-</plots>
diff --git a/tests/regression_tests/plot_overlaps/settings.xml b/tests/regression_tests/plot_overlaps/settings.xml
deleted file mode 100644
index adf256d2d..000000000
--- a/tests/regression_tests/plot_overlaps/settings.xml
+++ /dev/null
@@ -1,13 +0,0 @@
-<?xml version="1.0"?>
-<settings>
-
-  <run_mode>plot</run_mode>
-
-  <mesh id="1">
-    <dimension>5 4 3</dimension>
-    <lower_left>-10 -10 -10</lower_left>
-    <upper_right>10 10 10</upper_right>
-  </mesh>
-  <entropy_mesh>1</entropy_mesh>
-
-</settings>
diff --git a/tests/regression_tests/plot_voxel/geometry.xml b/tests/regression_tests/plot_voxel/geometry.xml
deleted file mode 100644
index 83619d9f7..000000000
--- a/tests/regression_tests/plot_voxel/geometry.xml
+++ /dev/null
@@ -1,13 +0,0 @@
-<?xml version="1.0"?>
-<geometry>
-
-  <surface id="1" type="z-cylinder" coeffs="0 0 2" />
-  <surface id="2" type="z-cylinder" coeffs="0 0 5" />
-  <surface id="3" type="z-cylinder" coeffs="0 0 10" boundary="vacuum" />
-  <surface id="4" type="y-plane" coeffs="5" boundary="vacuum" />
-
-  <cell id="1" material="1" region="  -1 -4" />
-  <cell id="2" material="3" region="1 -2 -4" />
-  <cell id="3" material="2" region="2 -3 -4" />
-
-</geometry>
diff --git a/tests/regression_tests/plot_voxel/materials.xml b/tests/regression_tests/plot_voxel/materials.xml
deleted file mode 100644
index 90b354267..000000000
--- a/tests/regression_tests/plot_voxel/materials.xml
+++ /dev/null
@@ -1,19 +0,0 @@
-<?xml version="1.0"?>
-<materials>
-
-  <material id="1">
-    <density value="4.5" units="g/cc" />
-    <nuclide name="U235" ao="1.0" />
-  </material>
-
-  <material id="2">
-    <density value="4.5" units="g/cc" />
-    <nuclide name="U235" ao="1.0" />
-  </material>
-
-  <material id="3">
-    <density value="4.5" units="g/cc" />
-    <nuclide name="U235" ao="1.0" />
-  </material>
-
-</materials>
diff --git a/tests/regression_tests/plot_voxel/model.xml b/tests/regression_tests/plot_voxel/model.xml
new file mode 100644
index 000000000..7b0e854c5
--- /dev/null
+++ b/tests/regression_tests/plot_voxel/model.xml
@@ -0,0 +1,42 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material depletable="true" id="1">
+      <density units="g/cc" value="4.5" />
+      <nuclide ao="1.0" name="U235" />
+    </material>
+    <material depletable="true" id="2">
+      <density units="g/cc" value="4.5" />
+      <nuclide ao="1.0" name="U235" />
+    </material>
+    <material depletable="true" id="3">
+      <density units="g/cc" value="4.5" />
+      <nuclide ao="1.0" name="U235" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="-1 -4" universe="0" />
+    <cell id="2" material="3" region="1 -2 -4" universe="0" />
+    <cell id="3" material="2" region="2 -3 -4" universe="0" />
+    <surface coeffs="0.0 0.0 2.0" id="1" type="z-cylinder" />
+    <surface coeffs="0.0 0.0 5.0" id="2" type="z-cylinder" />
+    <surface boundary="vacuum" coeffs="0.0 0.0 10.0" id="3" type="z-cylinder" />
+    <surface boundary="vacuum" coeffs="5.0" id="4" type="y-plane" />
+  </geometry>
+  <settings>
+    <run_mode>plot</run_mode>
+    <entropy_mesh>1</entropy_mesh>
+    <mesh id="1">
+      <dimension>5 4 3</dimension>
+      <lower_left>-10.0 -10.0 -10.0</lower_left>
+      <upper_right>10.0 10.0 10.0</upper_right>
+    </mesh>
+  </settings>
+  <plots>
+    <plot color_by="cell" id="4" type="voxel">
+      <origin>0.0 0.0 0.0</origin>
+      <width>20.0 20.0 10.0</width>
+      <pixels>50 50 10</pixels>
+    </plot>
+  </plots>
+</model>
diff --git a/tests/regression_tests/plot_voxel/plots.xml b/tests/regression_tests/plot_voxel/plots.xml
deleted file mode 100644
index 833329b42..000000000
--- a/tests/regression_tests/plot_voxel/plots.xml
+++ /dev/null
@@ -1,10 +0,0 @@
-<?xml version="1.0"?>
-<plots>
-
-  <plot id="4" type="voxel">
-    <pixels>50 50 10</pixels>
-    <origin>0. 0. 0.</origin>
-    <width>20 20 10</width>
-  </plot>
-
-</plots>
diff --git a/tests/regression_tests/plot_voxel/settings.xml b/tests/regression_tests/plot_voxel/settings.xml
deleted file mode 100644
index adf256d2d..000000000
--- a/tests/regression_tests/plot_voxel/settings.xml
+++ /dev/null
@@ -1,13 +0,0 @@
-<?xml version="1.0"?>
-<settings>
-
-  <run_mode>plot</run_mode>
-
-  <mesh id="1">
-    <dimension>5 4 3</dimension>
-    <lower_left>-10 -10 -10</lower_left>
-    <upper_right>10 10 10</upper_right>
-  </mesh>
-  <entropy_mesh>1</entropy_mesh>
-
-</settings>
diff --git a/tests/regression_tests/track_output/geometry.xml b/tests/regression_tests/track_output/geometry.xml
deleted file mode 100644
index 5b16fe26c..000000000
--- a/tests/regression_tests/track_output/geometry.xml
+++ /dev/null
@@ -1,305 +0,0 @@
-<?xml version="1.0" encoding="UTF-8"?>
-<geometry>
-
-<!-- Based on ISCBEP model for leu-comp-therm-008 benchmarks (see LA-UR-10-06230) -->
-
-    <!-- pin-cell surfaces -->
-
-      <surface id="1"  type="z-cylinder" coeffs="0.0 0.0 0.514858"/>       <!-- fuel OR       -->
-      <surface id="2"  type="z-cylinder" coeffs="0.0 0.0 0.602996"/>       <!-- fuel clad OR  -->
-
-      <surface id="3"  type="z-cylinder" coeffs="0.0 0.0 0.585000"/>       <!-- pyrex OR      -->
-
-      <surface id="99" type="sphere"     coeffs="0.0 0.0 0.0 400.0"/>      <!-- dummy outer boundary -->
-
-    <!-- pin-cell construction -->
-
-      <!-- Water pin-cell -->
-      <cell id="11" universe="1" material="1" region="-99"/>
-      <cell id="12" universe="1" material="1" region=" 99"/>
-
-      <!-- Fuel Rod -->
-      <cell id="21" universe="2" material="2" region="  -1"/>  <!-- fuel  -->
-      <cell id="22" universe="2" material="3" region="1 -2"/>  <!-- clad  -->
-      <cell id="23" universe="2" material="1" region="   2"/>  <!-- water -->
-
-      <!-- Pyrex Rod -->
-      <cell id="31" universe="3" material="4" region="  -3"/>  <!-- pyrex -->
-      <cell id="32" universe="3" material="1" region="   3"/>  <!-- water -->
-
-  <!-- Assembly construction -->
-
-    <!-- Dummy Water Assembly Universe -->
-      <cell id="99" universe="999" fill="1" region="-99"/>
-
-    <!-- Central Fuel Assemblies -->
-
-      <!-- Central Fuel Assembly -->      
-      <lattice id="11" dimension="15 15">
-        <lower_left> -12.2682 -12.2682 </lower_left>
-        <pitch>    1.63576 1.63576 </pitch>
-        <universes>
-          2 2 2 2 2 2 2 2 2 2 2 2 2 2 2
-          2 2 2 2 2 2 2 2 2 2 2 2 2 2 2
-          2 2 2 2 2 1 2 2 2 1 2 2 2 2 2
-          2 2 2 3 2 2 2 2 2 2 2 3 2 2 2
-          2 2 2 2 2 2 2 2 2 2 2 2 2 2 2
-          2 2 1 2 2 1 2 2 2 1 2 2 1 2 2
-          2 2 2 2 2 2 2 2 2 2 2 2 2 2 2
-          2 2 2 2 2 2 2 1 2 2 2 2 2 2 2
-          2 2 2 2 2 2 2 2 2 2 2 2 2 2 2
-          2 2 1 2 2 1 2 2 2 1 2 2 1 2 2
-          2 2 2 2 2 2 2 2 2 2 2 2 2 2 2
-          2 2 2 3 2 2 2 2 2 2 2 3 2 2 2
-          2 2 2 2 2 1 2 2 2 1 2 2 2 2 2
-          2 2 2 2 2 2 2 2 2 2 2 2 2 2 2
-          2 2 2 2 2 2 2 2 2 2 2 2 2 2 2
-        </universes>
-      </lattice>
-      <cell id="111" universe="111" fill="11" region=""/>
-      
-      <!-- North Fuel Assembly -->      
-      <lattice id="22" dimension="15 15">
-        <lower_left> -12.2682 -12.2682 </lower_left>
-        <pitch>    1.63576 1.63576 </pitch>
-        <universes>
-          2 2 2 2 2 2 2 2 2 2 2 2 2 2 2
-          2 2 2 2 2 2 2 2 2 2 2 2 2 2 2
-          2 2 2 2 2 1 2 2 2 1 2 2 2 2 2
-          2 2 2 1 2 2 2 2 2 2 2 1 2 2 2
-          2 2 2 2 2 2 2 2 2 2 2 2 2 2 2
-          2 2 1 2 2 1 2 2 2 1 2 2 1 2 2
-          2 2 2 2 2 2 2 2 2 2 2 2 2 2 2
-          2 2 2 2 2 2 2 1 2 2 2 2 2 2 2
-          2 2 2 2 2 2 2 2 2 2 2 2 2 2 2
-          2 2 1 2 2 1 2 2 2 1 2 2 1 2 2
-          2 2 2 2 2 2 2 2 2 2 2 2 2 2 2
-          2 2 2 3 2 2 2 2 2 2 2 3 2 2 2
-          2 2 2 2 2 1 2 2 2 1 2 2 2 2 2
-          2 2 2 2 2 2 2 2 2 2 2 2 2 2 2
-          2 2 2 2 2 2 2 2 2 2 2 2 2 2 2
-        </universes>
-      </lattice>
-      <cell id="222" universe="222" fill="22" region=""/>                     <!-- north -->
-      <cell id="444" universe="444" fill="222" region="" rotation="0 0 90"/>  <!-- west  -->
-      <cell id="555" universe="555" fill="222" region="" rotation="0 0 180"/> <!-- south -->
-      <cell id="666" universe="666" fill="222" region="" rotation="0 0 270"/> <!-- east  -->
-      
-      <!-- Northeast Fuel Assembly -->      
-      <lattice id="33" dimension="15 15">
-        <lower_left> -12.2682 -12.2682 </lower_left>
-        <pitch>    1.63576 1.63576 </pitch>
-        <universes>
-          2 2 2 2 2 2 2 2 2 2 2 2 2 2 2
-          2 2 2 2 2 2 2 2 2 2 2 2 2 2 2
-          2 2 2 2 2 1 2 2 2 1 2 2 2 2 2
-          2 2 2 1 2 2 2 2 2 2 2 1 2 2 2
-          2 2 2 2 2 2 2 2 2 2 2 2 2 2 2
-          2 2 1 2 2 1 2 2 2 1 2 2 1 2 2
-          2 2 2 2 2 2 2 2 2 2 2 2 2 2 2
-          2 2 2 2 2 2 2 1 2 2 2 2 2 2 2
-          2 2 2 2 2 2 2 2 2 2 2 2 2 2 2
-          2 2 1 2 2 1 2 2 2 1 2 2 1 2 2
-          2 2 2 2 2 2 2 2 2 2 2 2 2 2 2
-          2 2 2 3 2 2 2 2 2 2 2 1 2 2 2
-          2 2 2 2 2 1 2 2 2 1 2 2 2 2 2
-          2 2 2 2 2 2 2 2 2 2 2 2 2 2 2
-          2 2 2 2 2 2 2 2 2 2 2 2 2 2 2
-        </universes>
-      </lattice>
-      <cell id="333" universe="333" fill="33" region=""/>                     <!-- northeast -->
-      <cell id="777" universe="777" fill="333" region="" rotation="0 0 90"/>  <!-- northwest -->
-      <cell id="888" universe="888" fill="333" region="" rotation="0 0 180"/> <!-- southwest -->
-      <cell id="998" universe="998" fill="333" region="" rotation="0 0 270"/> <!-- southeast -->
-
-    <!-- Surrounding Driver Assemblies -->
-
-      <!-- Full Driver Assembly -->
-      <lattice id="24" dimension="15 15">
-        <lower_left> -12.2682 -12.2682 </lower_left>
-        <pitch>    1.63576 1.63576 </pitch>
-        <universes>
-          2 2 2 2 2 2 2 2 2 2 2 2 2 2 2
-          2 2 2 2 2 2 2 2 2 2 2 2 2 2 2
-          2 2 2 2 2 2 2 2 2 2 2 2 2 2 2
-          2 2 2 2 2 2 2 2 2 2 2 2 2 2 2
-          2 2 2 2 2 2 2 2 2 2 2 2 2 2 2
-          2 2 2 2 2 2 2 2 2 2 2 2 2 2 2
-          2 2 2 2 2 2 2 2 2 2 2 2 2 2 2
-          2 2 2 2 2 2 2 2 2 2 2 2 2 2 2
-          2 2 2 2 2 2 2 2 2 2 2 2 2 2 2
-          2 2 2 2 2 2 2 2 2 2 2 2 2 2 2
-          2 2 2 2 2 2 2 2 2 2 2 2 2 2 2
-          2 2 2 2 2 2 2 2 2 2 2 2 2 2 2
-          2 2 2 2 2 2 2 2 2 2 2 2 2 2 2
-          2 2 2 2 2 2 2 2 2 2 2 2 2 2 2
-          2 2 2 2 2 2 2 2 2 2 2 2 2 2 2
-        </universes>
-      </lattice>
-      <cell id="240" universe="240" fill="24" region="-99"/>
-
-      <!-- North Edge -->
-      <lattice id="14" dimension="15 15">
-        <lower_left> -12.2682 -12.2682 </lower_left>
-        <pitch>    1.63576 1.63576 </pitch>
-        <universes>
-          1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
-          1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
-          1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
-          1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
-          1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
-          1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
-          1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
-          1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
-          1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
-          1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
-          1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
-          1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
-          2 2 2 2 2 2 2 2 2 2 2 2 2 2 2
-          2 2 2 2 2 2 2 2 2 2 2 2 2 2 2
-          2 2 2 2 2 2 2 2 2 2 2 2 2 2 2
-        </universes>
-      </lattice>
-      <cell id="140" universe="140" fill="14" region=""/>                     <!-- north -->
-      <cell id="410" universe="410" fill="140" region="" rotation="0 0 90"/>  <!-- east  -->
-      <cell id="740" universe="740" fill="140" region="" rotation="0 0 180"/> <!-- south -->
-      <cell id="470" universe="470" fill="140" region="" rotation="0 0 270"/> <!-- west  -->
-
-      <!-- Northeast Edge Corner -->
-      <lattice id="15" dimension="15 15">
-        <lower_left> -12.2682 -12.2682 </lower_left>
-        <pitch>    1.63576 1.63576 </pitch>
-        <universes>
-          1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
-          1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
-          1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
-          1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
-          1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
-          1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
-          1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
-          1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
-          1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
-          1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
-          1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
-          1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
-          2 2 2 1 1 1 1 1 1 1 1 1 1 1 1
-          2 2 2 1 1 1 1 1 1 1 1 1 1 1 1
-          2 2 2 1 1 1 1 1 1 1 1 1 1 1 1
-        </universes>
-      </lattice>
-      <cell id="150" universe="150" fill="15" region=""/>                     <!-- northeast -->
-      <cell id="130" universe="130" fill="150" region="" rotation="0 0 90"/>  <!-- northwest -->
-      <cell id="510" universe="510" fill="150" region="" rotation="0 0 180"/> <!-- southwest -->
-      <cell id="570" universe="570" fill="150" region="" rotation="0 0 270"/> <!-- southeast -->
-
-      <!-- Northeast Top Steps -->
-      <lattice id="25" dimension="15 15">
-        <lower_left> -12.2682 -12.2682 </lower_left>
-        <pitch>    1.63576 1.63576 </pitch>
-        <universes>
-          2 2 2 1 1 1 1 1 1 1 1 1 1 1 1
-          2 2 2 1 1 1 1 1 1 1 1 1 1 1 1
-          2 2 2 2 2 2 2 2 2 2 2 2 2 1 1
-          2 2 2 2 2 2 2 2 2 2 2 2 2 1 1
-          2 2 2 2 2 2 2 2 2 2 2 2 2 1 1
-          2 2 2 2 2 2 2 2 2 2 2 2 2 1 1
-          2 2 2 2 2 2 2 2 2 2 2 2 2 1 1
-          2 2 2 2 2 2 2 2 2 2 2 2 2 2 2
-          2 2 2 2 2 2 2 2 2 2 2 2 2 2 2
-          2 2 2 2 2 2 2 2 2 2 2 2 2 2 2
-          2 2 2 2 2 2 2 2 2 2 2 2 2 2 2
-          2 2 2 2 2 2 2 2 2 2 2 2 2 2 2
-          2 2 2 2 2 2 2 2 2 2 2 2 2 2 2
-          2 2 2 2 2 2 2 2 2 2 2 2 2 2 2
-          2 2 2 2 2 2 2 2 2 2 2 2 2 2 2
-        </universes>
-      </lattice>
-      <cell id="250" universe="250" fill="25" region=""/>                     <!-- northeast -->
-      <cell id="320" universe="320" fill="250" region="" rotation="0 0 90"/>  <!-- northwest -->
-      <cell id="630" universe="630" fill="250" region="" rotation="0 0 180"/> <!-- southwest -->
-      <cell id="560" universe="560" fill="250" region="" rotation="0 0 270"/> <!-- southeast -->
-
-
-      <!-- Northeast Middle Corner -->
-      <lattice id="26" dimension="15 15">
-        <lower_left> -12.2682 -12.2682 </lower_left>
-        <pitch>    1.63576 1.63576 </pitch>
-        <universes>
-          1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
-          1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
-          1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
-          1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
-          1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
-          1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
-          1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
-          2 2 2 2 2 2 2 2 1 1 1 1 1 1 1
-          2 2 2 2 2 2 2 2 1 1 1 1 1 1 1 
-          2 2 2 2 2 2 2 2 1 1 1 1 1 1 1 
-          2 2 2 2 2 2 2 2 1 1 1 1 1 1 1 
-          2 2 2 2 2 2 2 2 1 1 1 1 1 1 1 
-          2 2 2 2 2 2 2 2 1 1 1 1 1 1 1 
-          2 2 2 2 2 2 2 2 1 1 1 1 1 1 1 
-          2 2 2 2 2 2 2 2 1 1 1 1 1 1 1 
-        </universes>
-      </lattice>
-      <cell id="260" universe="260" fill="26" region=""/>                     <!-- northeast -->
-      <cell id="220" universe="220" fill="260" region="" rotation="0 0 90"/>  <!-- southeast -->
-      <cell id="620" universe="620" fill="260" region="" rotation="0 0 180"/> <!-- southwest -->
-      <cell id="660" universe="660" fill="260" region="" rotation="0 0 270"/> <!-- northwest -->
-
-      <!-- Northeast Bottom Steps -->
-      <lattice id="36" dimension="15 15">
-        <lower_left> -12.2682 -12.2682 </lower_left>
-        <pitch>    1.63576 1.63576 </pitch>
-        <universes>
-          2 2 2 2 2 2 2 2 1 1 1 1 1 1 1
-          2 2 2 2 2 2 2 2 1 1 1 1 1 1 1
-          2 2 2 2 2 2 2 2 2 2 2 2 2 1 1
-          2 2 2 2 2 2 2 2 2 2 2 2 2 1 1
-          2 2 2 2 2 2 2 2 2 2 2 2 2 1 1
-          2 2 2 2 2 2 2 2 2 2 2 2 2 1 1
-          2 2 2 2 2 2 2 2 2 2 2 2 2 1 1
-          2 2 2 2 2 2 2 2 2 2 2 2 2 1 1
-          2 2 2 2 2 2 2 2 2 2 2 2 2 1 1
-          2 2 2 2 2 2 2 2 2 2 2 2 2 1 1
-          2 2 2 2 2 2 2 2 2 2 2 2 2 1 1
-          2 2 2 2 2 2 2 2 2 2 2 2 2 1 1
-          2 2 2 2 2 2 2 2 2 2 2 2 2 2 2
-          2 2 2 2 2 2 2 2 2 2 2 2 2 2 2
-          2 2 2 2 2 2 2 2 2 2 2 2 2 2 2
-        </universes>
-      </lattice>
-      <cell id="360" universe="360" fill="36" region=""/>                     <!-- northeast -->
-      <cell id="230" universe="230" fill="360" region="" rotation="0 0 90"/>  <!-- southeast -->
-      <cell id="520" universe="520" fill="360" region="" rotation="0 0 180"/> <!-- southwest -->
-      <cell id="650" universe="650" fill="360" region="" rotation="0 0 270"/> <!-- northwest -->
-
-
-  <!-- Core construction -->
-
-    <!-- Core Surfaces -->
-    <surface id="10" type="z-plane"    coeffs="       -81.662" boundary="vacuum"/>
-    <surface id="20" type="z-plane"    coeffs="        81.662" boundary="vacuum"/>
-    <surface id="30" type="z-cylinder" coeffs="0.0 0.0 76.200" />
-    <surface id="40" type="z-cylinder" coeffs="0.0 0.0 77.470" boundary="vacuum"/>
-
-    <!-- Core lattice -->
-    <lattice id="99" dimension="7 7">
-      <lower_left> -85.8774 -85.8774 </lower_left>
-      <pitch>   24.5364  24.5364 </pitch>
-      <universes>
-          999 999 130 140 150 999 999
-          999 220 230 240 250 260 999
-          130 320 777 222 333 360 150
-          410 240 444 111 666 240 470
-          510 520 888 555 998 560 570
-          999 620 630 240 650 660 999
-          999 999 510 740 570 999 999
-      </universes>
-    </lattice>
-
-    <!-- Core Bounding Cell -->
-    <cell id="1111" universe="0" fill="99"   region="10 -20 -30"/>
-    <cell id="1112" universe="0" material="3" region="10 -20 30 -40"/>
-
-</geometry>
diff --git a/tests/regression_tests/track_output/materials.xml b/tests/regression_tests/track_output/materials.xml
deleted file mode 100644
index 5dc9a6475..000000000
--- a/tests/regression_tests/track_output/materials.xml
+++ /dev/null
@@ -1,95 +0,0 @@
-<?xml version="1.0"?>
-<materials>
-
-<!-- material 1: Water with 1511 PPM -->
-  <material id="1">
-    <density value="0.99823" units="g/cc" />
-    <nuclide name="H1"  ao="6.6737E-002" />
-    <nuclide name="O16" ao="3.3369E-002" />
-    <nuclide name="B10" ao="1.6769E-005" />
-    <nuclide name="B11" ao="6.7497E-005" />
-    <sab name="c_H_in_H2O" />
-  </material>
-
-<!-- material 2: Fuel (2.459 w/o with B-10 for impurities) -->
-  <material id="2">
-    <density value="10.24" units="g/cc" />
-    <nuclide name="U235" ao="5.6868E-004" />
-<!--    <nuclide name="U234" ao="4.5689E-006" />  -->
-    <nuclide name="U238" ao="2.2268E-002" />
-    <nuclide name="O16"  ao="4.5683E-002" />
-    <nuclide name="B10"  ao="2.6055E-007" />
-  </material>
-
-  <!--               Zircaloy-4               -->
-  <material id="3">
-    <density value="  6.55" units="g/cc" />
-    <nuclide name="O16"  ao="3.0743e-04" />
-<!--    <nuclide name="O17"  ao="7.4887e-07" />-->
-<!--    <nuclide name="Cr50"  ao="3.2962e-06" />-->
-<!--    <nuclide name="Cr52"  ao="6.3564e-05" />-->
-<!--    <nuclide name="Cr53"  ao="7.2076e-06" />-->
-<!--    <nuclide name="Cr54"  ao="1.7941e-06" />-->
-<!--    <nuclide name="Fe54"  ao="8.6699e-06" />-->
-<!--    <nuclide name="Fe56"  ao="1.3610e-04" />-->
-<!--    <nuclide name="Fe57"  ao="3.1431e-06" />-->
-<!--    <nuclide name="Fe58"  ao="4.1829e-07" />-->
-    <nuclide name="Zr90"  ao="2.1827e-02" />
-    <nuclide name="Zr91"  ao="4.7600e-03" />
-    <nuclide name="Zr92"  ao="7.2758e-03" />
-    <nuclide name="Zr94"  ao="7.3734e-03" />
-    <nuclide name="Zr96"  ao="1.1879e-03" />
-<!--    <nuclide name="Sn112"  ao="4.6735e-06" />-->
-<!--    <nuclide name="Sn114"  ao="3.1799e-06" />-->
-<!--    <nuclide name="Sn115"  ao="1.6381e-06" />-->
-<!--    <nuclide name="Sn116"  ao="7.0055e-05" />-->
-<!--    <nuclide name="Sn117"  ao="3.7003e-05" />-->
-<!--    <nuclide name="Sn118"  ao="1.1669e-04" />-->
-<!--    <nuclide name="Sn119"  ao="4.1387e-05" />-->
-<!--    <nuclide name="Sn120"  ao="1.5697e-04" />-->
-<!--    <nuclide name="Sn122"  ao="2.2308e-05" />-->
-<!--    <nuclide name="Sn124"  ao="2.7897e-05" />-->
-  </material>
-
-<!-- material 3: Fuel Aluminum 6061 cladding -->
-<!--  <material id="3">-->
-<!--    <density value="2.5052" units="g/cc" />-->
-<!--    <nuclide name="Al27" ao="5.3985e-02" />-->
-<!--    <nuclide name="Mn55" ao="4.1191e-05" />-->
-<!--    <nuclide name="Mg24" ao="4.9031e-04" />-->
-<!--    <nuclide name="Mg25" ao="6.2072e-05" />-->
-<!--    <nuclide name="Mg26" ao="6.8341e-05" />-->
-<!--    <nuclide name="Si28" ao="2.9726e-04" />-->
-<!--    <nuclide name="Si29" ao="1.5094e-05" />-->
-<!--    <nuclide name="Si30" ao="9.9499e-06" />-->
-<!--    <nuclide name="Cr50" ao="2.5214e-06" />-->
-<!--    <nuclide name="Cr52" ao="4.8622e-05" />-->
-<!--    <nuclide name="Cr53" ao="5.5133e-06" />-->
-<!--    <nuclide name="Cr54" ao="1.3724e-06" />-->
-<!--    <nuclide name="Fe54" ao="1.1053e-05" />-->
-<!--    <nuclide name="Fe56" ao="1.7351e-04" />-->
-<!--    <nuclide name="Fe57" ao="4.0070e-06" />-->
-<!--    <nuclide name="Fe58" ao="5.3326e-07" />-->
-<!--    <nuclide name="Ti46" ao="3.8992e-06" />-->
-<!--    <nuclide name="Ti47" ao="3.5164e-06" />-->
-<!--    <nuclide name="Ti48" ao="3.4842e-05" />-->
-<!--    <nuclide name="Ti49" ao="2.5569e-06" />-->
-<!--    <nuclide name="Ti50" ao="2.4482e-06" />-->
-<!--    <nuclide name="Cu63" ao="4.1054e-05" />-->
-<!--    <nuclide name="Cu65" ao="1.8299e-05" />-->
-<!--  </material>-->
-
-<!-- material 4: Control Rod Material -->
-  <material id="4">
-    <density value="2.2442" units="g/cc" />
-    <nuclide name="B10"  ao="9.7491e-4" />
-    <nuclide name="B11"  ao="3.9241e-3" />
-    <nuclide name="O16"  ao="4.4829e-2" />
-<!--    <nuclide name="Na23" ao="1.7444e-3" />-->
-<!--    <nuclide name="Al27" ao="1.0018e-3" />-->
-<!--    <nuclide name="Si28" ao="1.6884e-02" />-->
-<!--    <nuclide name="Si29" ao="8.5730e-04" />-->
-<!--    <nuclide name="Si30" ao="5.6513e-04" />-->
-  </material>
-
-</materials>
diff --git a/tests/regression_tests/track_output/model.xml b/tests/regression_tests/track_output/model.xml
new file mode 100644
index 000000000..36ccb2b46
--- /dev/null
+++ b/tests/regression_tests/track_output/model.xml
@@ -0,0 +1,299 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material id="1">
+      <density units="g/cc" value="0.99823" />
+      <nuclide ao="0.066737" name="H1" />
+      <nuclide ao="0.033369" name="O16" />
+      <nuclide ao="1.6769e-05" name="B10" />
+      <nuclide ao="6.7497e-05" name="B11" />
+      <sab name="c_H_in_H2O" />
+    </material>
+    <material depletable="true" id="2">
+      <density units="g/cc" value="10.24" />
+      <nuclide ao="0.00056868" name="U235" />
+      <nuclide ao="0.022268" name="U238" />
+      <nuclide ao="0.045683" name="O16" />
+      <nuclide ao="2.6055e-07" name="B10" />
+    </material>
+    <material id="3">
+      <density units="g/cc" value="6.55" />
+      <nuclide ao="0.00030743" name="O16" />
+      <nuclide ao="0.021827" name="Zr90" />
+      <nuclide ao="0.00476" name="Zr91" />
+      <nuclide ao="0.0072758" name="Zr92" />
+      <nuclide ao="0.0073734" name="Zr94" />
+      <nuclide ao="0.0011879" name="Zr96" />
+    </material>
+    <material id="4">
+      <density units="g/cc" value="2.2442" />
+      <nuclide ao="0.00097491" name="B10" />
+      <nuclide ao="0.0039241" name="B11" />
+      <nuclide ao="0.044829" name="O16" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="11" material="1" region="-99" universe="1" />
+    <cell id="12" material="1" region="99" universe="1" />
+    <cell id="21" material="2" region="-1" universe="2" />
+    <cell id="22" material="3" region="1 -2" universe="2" />
+    <cell id="23" material="1" region="2" universe="2" />
+    <cell id="31" material="4" region="-3" universe="3" />
+    <cell id="32" material="1" region="3" universe="3" />
+    <cell fill="1" id="99" region="-99" universe="999" />
+    <cell fill="11" id="111" universe="111" />
+    <cell fill="150" id="130" rotation="0.0 0.0 90.0" universe="130" />
+    <cell fill="14" id="140" universe="140" />
+    <cell fill="15" id="150" universe="150" />
+    <cell fill="260" id="220" rotation="0.0 0.0 90.0" universe="220" />
+    <cell fill="22" id="222" universe="222" />
+    <cell fill="360" id="230" rotation="0.0 0.0 90.0" universe="230" />
+    <cell fill="24" id="240" region="-99" universe="240" />
+    <cell fill="25" id="250" universe="250" />
+    <cell fill="26" id="260" universe="260" />
+    <cell fill="250" id="320" rotation="0.0 0.0 90.0" universe="320" />
+    <cell fill="33" id="333" universe="333" />
+    <cell fill="36" id="360" universe="360" />
+    <cell fill="140" id="410" rotation="0.0 0.0 90.0" universe="410" />
+    <cell fill="222" id="444" rotation="0.0 0.0 90.0" universe="444" />
+    <cell fill="140" id="470" rotation="0.0 0.0 270.0" universe="470" />
+    <cell fill="150" id="510" rotation="0.0 0.0 180.0" universe="510" />
+    <cell fill="360" id="520" rotation="0.0 0.0 180.0" universe="520" />
+    <cell fill="222" id="555" rotation="0.0 0.0 180.0" universe="555" />
+    <cell fill="250" id="560" rotation="0.0 0.0 270.0" universe="560" />
+    <cell fill="150" id="570" rotation="0.0 0.0 270.0" universe="570" />
+    <cell fill="260" id="620" rotation="0.0 0.0 180.0" universe="620" />
+    <cell fill="250" id="630" rotation="0.0 0.0 180.0" universe="630" />
+    <cell fill="360" id="650" rotation="0.0 0.0 270.0" universe="650" />
+    <cell fill="260" id="660" rotation="0.0 0.0 270.0" universe="660" />
+    <cell fill="222" id="666" rotation="0.0 0.0 270.0" universe="666" />
+    <cell fill="140" id="740" rotation="0.0 0.0 180.0" universe="740" />
+    <cell fill="333" id="777" rotation="0.0 0.0 90.0" universe="777" />
+    <cell fill="333" id="888" rotation="0.0 0.0 180.0" universe="888" />
+    <cell fill="333" id="998" rotation="0.0 0.0 270.0" universe="998" />
+    <cell fill="99" id="1111" region="10 -20 -30" universe="0" />
+    <cell id="1112" material="3" region="10 -20 30 -40" universe="0" />
+    <lattice id="11">
+      <pitch>1.63576 1.63576</pitch>
+      <dimension>15 15</dimension>
+      <lower_left>-12.2682 -12.2682</lower_left>
+      <universes>
+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 
+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 
+2 2 2 2 2 1 2 2 2 1 2 2 2 2 2 
+2 2 2 3 2 2 2 2 2 2 2 3 2 2 2 
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+2 2 2 2 2 1 2 2 2 1 2 2 2 2 2 
+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 
+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 </universes>
+    </lattice>
+    <lattice id="14">
+      <pitch>1.63576 1.63576</pitch>
+      <dimension>15 15</dimension>
+      <lower_left>-12.2682 -12.2682</lower_left>
+      <universes>
+1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 
+1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 
+1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 
+1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 
+1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 
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+1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 
+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 
+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 
+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 </universes>
+    </lattice>
+    <lattice id="15">
+      <pitch>1.63576 1.63576</pitch>
+      <dimension>15 15</dimension>
+      <lower_left>-12.2682 -12.2682</lower_left>
+      <universes>
+1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 
+1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 
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+1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 
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+1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 
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+2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 
+2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 
+2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 </universes>
+    </lattice>
+    <lattice id="22">
+      <pitch>1.63576 1.63576</pitch>
+      <dimension>15 15</dimension>
+      <lower_left>-12.2682 -12.2682</lower_left>
+      <universes>
+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 
+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 
+2 2 2 2 2 1 2 2 2 1 2 2 2 2 2 
+2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 
+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 
+2 2 1 2 2 1 2 2 2 1 2 2 1 2 2 
+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 
+2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 
+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 
+2 2 1 2 2 1 2 2 2 1 2 2 1 2 2 
+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 
+2 2 2 3 2 2 2 2 2 2 2 3 2 2 2 
+2 2 2 2 2 1 2 2 2 1 2 2 2 2 2 
+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 
+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 </universes>
+    </lattice>
+    <lattice id="24">
+      <pitch>1.63576 1.63576</pitch>
+      <dimension>15 15</dimension>
+      <lower_left>-12.2682 -12.2682</lower_left>
+      <universes>
+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 
+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 
+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 
+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 
+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 
+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 
+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 
+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 
+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 
+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 
+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 
+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 
+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 
+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 
+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 </universes>
+    </lattice>
+    <lattice id="25">
+      <pitch>1.63576 1.63576</pitch>
+      <dimension>15 15</dimension>
+      <lower_left>-12.2682 -12.2682</lower_left>
+      <universes>
+2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 
+2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 
+2 2 2 2 2 2 2 2 2 2 2 2 2 1 1 
+2 2 2 2 2 2 2 2 2 2 2 2 2 1 1 
+2 2 2 2 2 2 2 2 2 2 2 2 2 1 1 
+2 2 2 2 2 2 2 2 2 2 2 2 2 1 1 
+2 2 2 2 2 2 2 2 2 2 2 2 2 1 1 
+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 
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+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 
+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 
+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 
+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 
+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 
+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 </universes>
+    </lattice>
+    <lattice id="26">
+      <pitch>1.63576 1.63576</pitch>
+      <dimension>15 15</dimension>
+      <lower_left>-12.2682 -12.2682</lower_left>
+      <universes>
+1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 
+1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 
+1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 
+1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 
+1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 
+1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 
+1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 
+2 2 2 2 2 2 2 2 1 1 1 1 1 1 1 
+2 2 2 2 2 2 2 2 1 1 1 1 1 1 1 
+2 2 2 2 2 2 2 2 1 1 1 1 1 1 1 
+2 2 2 2 2 2 2 2 1 1 1 1 1 1 1 
+2 2 2 2 2 2 2 2 1 1 1 1 1 1 1 
+2 2 2 2 2 2 2 2 1 1 1 1 1 1 1 
+2 2 2 2 2 2 2 2 1 1 1 1 1 1 1 
+2 2 2 2 2 2 2 2 1 1 1 1 1 1 1 </universes>
+    </lattice>
+    <lattice id="33">
+      <pitch>1.63576 1.63576</pitch>
+      <dimension>15 15</dimension>
+      <lower_left>-12.2682 -12.2682</lower_left>
+      <universes>
+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 
+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 
+2 2 2 2 2 1 2 2 2 1 2 2 2 2 2 
+2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 
+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 
+2 2 1 2 2 1 2 2 2 1 2 2 1 2 2 
+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 
+2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 
+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 
+2 2 1 2 2 1 2 2 2 1 2 2 1 2 2 
+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 
+2 2 2 3 2 2 2 2 2 2 2 1 2 2 2 
+2 2 2 2 2 1 2 2 2 1 2 2 2 2 2 
+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 
+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 </universes>
+    </lattice>
+    <lattice id="36">
+      <pitch>1.63576 1.63576</pitch>
+      <dimension>15 15</dimension>
+      <lower_left>-12.2682 -12.2682</lower_left>
+      <universes>
+2 2 2 2 2 2 2 2 1 1 1 1 1 1 1 
+2 2 2 2 2 2 2 2 1 1 1 1 1 1 1 
+2 2 2 2 2 2 2 2 2 2 2 2 2 1 1 
+2 2 2 2 2 2 2 2 2 2 2 2 2 1 1 
+2 2 2 2 2 2 2 2 2 2 2 2 2 1 1 
+2 2 2 2 2 2 2 2 2 2 2 2 2 1 1 
+2 2 2 2 2 2 2 2 2 2 2 2 2 1 1 
+2 2 2 2 2 2 2 2 2 2 2 2 2 1 1 
+2 2 2 2 2 2 2 2 2 2 2 2 2 1 1 
+2 2 2 2 2 2 2 2 2 2 2 2 2 1 1 
+2 2 2 2 2 2 2 2 2 2 2 2 2 1 1 
+2 2 2 2 2 2 2 2 2 2 2 2 2 1 1 
+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 
+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 
+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 </universes>
+    </lattice>
+    <lattice id="99">
+      <pitch>24.5364 24.5364</pitch>
+      <dimension>7 7</dimension>
+      <lower_left>-85.8774 -85.8774</lower_left>
+      <universes>
+999 999 130 140 150 999 999 
+999 220 230 240 250 260 999 
+130 320 777 222 333 360 150 
+410 240 444 111 666 240 470 
+510 520 888 555 998 560 570 
+999 620 630 240 650 660 999 
+999 999 510 740 570 999 999 </universes>
+    </lattice>
+    <surface coeffs="0.0 0.0 0.514858" id="1" type="z-cylinder" />
+    <surface coeffs="0.0 0.0 0.602996" id="2" type="z-cylinder" />
+    <surface coeffs="0.0 0.0 0.585" id="3" type="z-cylinder" />
+    <surface boundary="vacuum" coeffs="-81.662" id="10" type="z-plane" />
+    <surface boundary="vacuum" coeffs="81.662" id="20" type="z-plane" />
+    <surface coeffs="0.0 0.0 76.2" id="30" type="z-cylinder" />
+    <surface boundary="vacuum" coeffs="0.0 0.0 77.47" id="40" type="z-cylinder" />
+    <surface coeffs="0.0 0.0 0.0 400.0" id="99" type="sphere" />
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>2</batches>
+    <inactive>0</inactive>
+    <source strength="1.0">
+      <space type="box">
+        <parameters>-1.0 -1.0 -1.0 1.0 1.0 1.0</parameters>
+      </space>
+    </source>
+    <track>1 1 1 1 1 30 2 1 60</track>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/track_output/settings.xml b/tests/regression_tests/track_output/settings.xml
deleted file mode 100644
index dcfa118c8..000000000
--- a/tests/regression_tests/track_output/settings.xml
+++ /dev/null
@@ -1,23 +0,0 @@
-<?xml version="1.0" encoding="UTF-8"?>
-<settings>
-
-  <!-- Parameters for criticality calculation -->
-  <run_mode>eigenvalue</run_mode>
-  <batches>2</batches>
-  <inactive>0</inactive>
-  <particles>100</particles>
-
-  <!-- Starting source -->
-  <source>
-    <space type="box">
-      <parameters>-1 -1 -1  1  1  1</parameters>
-    </space>
-  </source>
-
-  <track>
-    1 1 1
-    1 1 30
-    2 1 60
-  </track>
-
-</settings>

From 2d6938553a6a987d0b766ed5f42e4fe16669480e Mon Sep 17 00:00:00 2001
From: Kalin Kiesling <krkiesling@gmail.com>
Date: Sat, 25 Mar 2023 09:13:58 -0500
Subject: [PATCH 1677/2654] Update tests/unit_tests/test_deplete_activation.py

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 tests/unit_tests/test_deplete_activation.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/tests/unit_tests/test_deplete_activation.py b/tests/unit_tests/test_deplete_activation.py
index cef614f82..4c3d1de09 100644
--- a/tests/unit_tests/test_deplete_activation.py
+++ b/tests/unit_tests/test_deplete_activation.py
@@ -47,7 +47,7 @@ ENERGIES = np.logspace(log10(1e-5), log10(2e7), 100)
     ("direct", {}, 1e-5),
     ("flux", {'energies': ENERGIES}, 0.01),
     ("flux", {'energies': ENERGIES, 'reactions': ['(n,gamma)']}, 1e-5),
-    ("flux", {'energies': ENERGIES, 'reactions': ['(n,gamma)'], 'nuclides': ['W186', 'H3']}, 1e-5),
+    ("flux", {'energies': ENERGIES, 'reactions': ['(n,gamma)'], 'nuclides': ['W186', 'H3']}, 1e-2),
 ])
 def test_activation(run_in_tmpdir, model, reaction_rate_mode, reaction_rate_opts, tolerance):
     # Determine (n.gamma) reaction rate using initial run

From 2aef18c02ac82c7c90d59466b199a58883018bd1 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Sat, 25 Mar 2023 11:55:53 -0500
Subject: [PATCH 1678/2654] Loosen tolerance on coincidence check for cyl/sph
 meshes and parametrize tests

---
 src/mesh.cpp                         |  7 ++++---
 tests/unit_tests/test_filter_mesh.py | 19 +++++++++++--------
 2 files changed, 15 insertions(+), 11 deletions(-)

diff --git a/src/mesh.cpp b/src/mesh.cpp
index 306e56070..3ee489a68 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -500,7 +500,8 @@ void StructuredMesh::raytrace_mesh(
   }
 
   // translate start and end positions,
-  // this needs to come after the get_indices call because it does its own translation
+  // this needs to come after the get_indices call because it does its own
+  // translation
   local_coords(r0);
   local_coords(r1);
 
@@ -1084,7 +1085,7 @@ double CylindricalMesh::find_r_crossing(
   D = std::sqrt(D);
 
   // the solution -p - D is always smaller as -p + D : Check this one first
-  if (-p - D > l && std::abs(c) > FP_COINCIDENT)
+  if (-p - D > l && std::abs(c) > 1e-10)
     return -p - D;
   if (-p + D > l)
     return -p + D;
@@ -1310,7 +1311,7 @@ double SphericalMesh::find_r_crossing(
   if (D >= 0.0) {
     D = std::sqrt(D);
     // the solution -p - D is always smaller as -p + D : Check this one first
-    if (-p - D > l && std::abs(c) > FP_COINCIDENT)
+    if (-p - D > l && std::abs(c) > 1e-10)
       return -p - D;
     if (-p + D > l)
       return -p + D;
diff --git a/tests/unit_tests/test_filter_mesh.py b/tests/unit_tests/test_filter_mesh.py
index 5e5a84f7b..e3fae15be 100644
--- a/tests/unit_tests/test_filter_mesh.py
+++ b/tests/unit_tests/test_filter_mesh.py
@@ -114,15 +114,16 @@ def test_cylindrical_mesh_estimators(run_in_tmpdir):
     assert np.all(diff < 3*std_dev)
 
 
-def test_cylindrical_mesh_coincident(run_in_tmpdir):
+@pytest.mark.parametrize("scale", [1.0, 1e2, 1e4, 1e5])
+def test_cylindrical_mesh_coincident(scale, run_in_tmpdir):
     """Test for cylindrical mesh boundary being coincident with a cell boundary"""
 
     fuel = openmc.Material()
     fuel.add_nuclide('U235', 1.)
     fuel.set_density('g/cm3', 4.5)
 
-    zcyl = openmc.ZCylinder(r=1.25)
-    box = openmc.rectangular_prism(4.0, 4.0, boundary_type='reflective')
+    zcyl = openmc.ZCylinder(r=1.25*scale)
+    box = openmc.rectangular_prism(4*scale, 4*scale, boundary_type='reflective')
     cell1 = openmc.Cell(fill=fuel, region=-zcyl)
     cell2 = openmc.Cell(fill=None, region=+zcyl & box)
     model = openmc.Model()
@@ -133,7 +134,7 @@ def test_cylindrical_mesh_coincident(run_in_tmpdir):
     model.settings.inactive = 0
 
     cyl_mesh = openmc.CylindricalMesh()
-    cyl_mesh.r_grid = [0., 1.25]
+    cyl_mesh.r_grid = [0., 1.25*scale]
     cyl_mesh.phi_grid = [0., 2*math.pi]
     cyl_mesh.z_grid = [-1e10, 1e10]
     cyl_mesh_filter = openmc.MeshFilter(cyl_mesh)
@@ -161,16 +162,18 @@ def test_cylindrical_mesh_coincident(run_in_tmpdir):
     assert mean1 == pytest.approx(mean2)
 
 
-def test_spherical_mesh_coincident(run_in_tmpdir):
+@pytest.mark.parametrize("scale", [1.0, 1e2, 1e4, 1e5])
+def test_spherical_mesh_coincident(scale, run_in_tmpdir):
     """Test for spherical mesh boundary being coincident with a cell boundary"""
 
     fuel = openmc.Material()
     fuel.add_nuclide('U235', 1.)
     fuel.set_density('g/cm3', 4.5)
 
-    sph = openmc.Sphere(r=1.25)
+    sph = openmc.Sphere(r=1.25*scale)
     rcc = openmc.model.RectangularParallelepiped(
-        -2.0, 2.0, -2.0, 2.0, -2.0, 2.0, boundary_type='reflective')
+        -2*scale, 2*scale, -2*scale, 2*scale, -2*scale, 2*scale,
+        boundary_type='reflective')
     cell1 = openmc.Cell(fill=fuel, region=-sph)
     cell2 = openmc.Cell(fill=None, region=+sph & -rcc)
     model = openmc.Model()
@@ -181,7 +184,7 @@ def test_spherical_mesh_coincident(run_in_tmpdir):
     model.settings.inactive = 0
 
     sph_mesh = openmc.SphericalMesh()
-    sph_mesh.r_grid = [0., 1.25]
+    sph_mesh.r_grid = [0., 1.25*scale]
     sph_mesh.phi_grid = [0., 2*math.pi]
     sph_mesh.theta_grid = [0., math.pi]
     sph_mesh_filter = openmc.MeshFilter(sph_mesh)

From 5b7fb427d3cb4c5ba9fa2a5555004c10e2e53db1 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Sat, 25 Mar 2023 15:36:11 -0500
Subject: [PATCH 1679/2654] Apply @pshriwise suggestion adding 0.1 to scale

Co-authored-by: Patrick Shriwise <pshriwise@gmail.com>
---
 tests/unit_tests/test_filter_mesh.py | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/tests/unit_tests/test_filter_mesh.py b/tests/unit_tests/test_filter_mesh.py
index e3fae15be..c93bfa037 100644
--- a/tests/unit_tests/test_filter_mesh.py
+++ b/tests/unit_tests/test_filter_mesh.py
@@ -114,7 +114,7 @@ def test_cylindrical_mesh_estimators(run_in_tmpdir):
     assert np.all(diff < 3*std_dev)
 
 
-@pytest.mark.parametrize("scale", [1.0, 1e2, 1e4, 1e5])
+@pytest.mark.parametrize("scale", [0.1, 1.0, 1e2, 1e4, 1e5])
 def test_cylindrical_mesh_coincident(scale, run_in_tmpdir):
     """Test for cylindrical mesh boundary being coincident with a cell boundary"""
 
@@ -162,7 +162,7 @@ def test_cylindrical_mesh_coincident(scale, run_in_tmpdir):
     assert mean1 == pytest.approx(mean2)
 
 
-@pytest.mark.parametrize("scale", [1.0, 1e2, 1e4, 1e5])
+@pytest.mark.parametrize("scale", [0.1, 1.0, 1e2, 1e4, 1e5])
 def test_spherical_mesh_coincident(scale, run_in_tmpdir):
     """Test for spherical mesh boundary being coincident with a cell boundary"""
 

From b7250db6e130c37fe5e5dc54da9b57f7a1cbad38 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Sun, 26 Mar 2023 16:03:55 -0500
Subject: [PATCH 1680/2654] Update reference inputs for
 mgxs_library_specific_nuclides test

---
 .../inputs_true.dat                           | 433 +++++++++---------
 1 file changed, 216 insertions(+), 217 deletions(-)

diff --git a/tests/regression_tests/mgxs_library_specific_nuclides/inputs_true.dat b/tests/regression_tests/mgxs_library_specific_nuclides/inputs_true.dat
index 061aa1b95..938b1c19d 100644
--- a/tests/regression_tests/mgxs_library_specific_nuclides/inputs_true.dat
+++ b/tests/regression_tests/mgxs_library_specific_nuclides/inputs_true.dat
@@ -1,218 +1,217 @@
 <?xml version='1.0' encoding='utf-8'?>
-<geometry>
-  <cell id="1" material="1" name="Fuel" region="-1" universe="0" />
-  <cell id="2" material="2" name="Cladding" region="1 -2" universe="0" />
-  <cell id="3" material="3" name="Water" region="2 3 -4 5 -6" universe="0" />
-  <surface coeffs="0 0 0.39218" id="1" name="Fuel OR" type="z-cylinder" />
-  <surface coeffs="0 0 0.4572" id="2" name="Clad OR" type="z-cylinder" />
-  <surface boundary="reflective" coeffs="-0.63" id="3" name="left" type="x-plane" />
-  <surface boundary="reflective" coeffs="0.63" id="4" name="right" type="x-plane" />
-  <surface boundary="reflective" coeffs="-0.63" id="5" name="bottom" type="y-plane" />
-  <surface boundary="reflective" coeffs="0.63" id="6" name="top" type="y-plane" />
-</geometry>
-<?xml version='1.0' encoding='utf-8'?>
-<materials>
-  <material depletable="true" id="1" name="UO2 (2.4%)">
-    <density units="g/cm3" value="10.29769" />
-    <nuclide ao="4.4843e-06" name="U234" />
-    <nuclide ao="0.00055815" name="U235" />
-    <nuclide ao="0.022408" name="U238" />
-    <nuclide ao="0.045829" name="O16" />
-  </material>
-  <material id="2" name="Zircaloy">
-    <density units="g/cm3" value="6.55" />
-    <nuclide ao="0.021827" name="Zr90" />
-    <nuclide ao="0.00476" name="Zr91" />
-    <nuclide ao="0.0072758" name="Zr92" />
-    <nuclide ao="0.0073734" name="Zr94" />
-    <nuclide ao="0.0011879" name="Zr96" />
-  </material>
-  <material id="3" name="Hot borated water">
-    <density units="g/cm3" value="0.740582" />
-    <nuclide ao="0.049457" name="H1" />
-    <nuclide ao="0.024672" name="O16" />
-    <nuclide ao="8.0042e-06" name="B10" />
-    <nuclide ao="3.2218e-05" name="B11" />
-    <sab name="c_H_in_H2O" />
-  </material>
-</materials>
-<?xml version='1.0' encoding='utf-8'?>
-<settings>
-  <run_mode>eigenvalue</run_mode>
-  <particles>100</particles>
-  <batches>10</batches>
-  <inactive>5</inactive>
-  <source strength="1.0">
-    <space type="fission">
-      <parameters>-0.63 -0.63 -1 0.63 0.63 1</parameters>
-    </space>
-  </source>
-</settings>
-<?xml version='1.0' encoding='utf-8'?>
-<tallies>
-  <filter id="383" type="material">
-    <bins>1 2 3</bins>
-  </filter>
-  <filter id="2" type="energy">
-    <bins>0.0 0.625 20000000.0</bins>
-  </filter>
-  <filter id="1" type="material">
-    <bins>1</bins>
-  </filter>
-  <filter id="5" type="energyout">
-    <bins>0.0 0.625 20000000.0</bins>
-  </filter>
-  <filter id="6" type="legendre">
-    <order>1</order>
-  </filter>
-  <filter id="30" type="legendre">
-    <order>3</order>
-  </filter>
-  <filter id="54" type="energy">
-    <bins>0.0 20000000.0</bins>
-  </filter>
-  <filter id="106" type="material">
-    <bins>2</bins>
-  </filter>
-  <filter id="251" type="material">
-    <bins>3</bins>
-  </filter>
-  <tally id="528">
-    <filters>383 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="167">
-    <filters>1 2</filters>
-    <nuclides>U235 total</nuclides>
-    <scores>total absorption (n,2n) (n,3n) (n,4n) fission nu-fission kappa-fission scatter inverse-velocity prompt-nu-fission (n,elastic) (n,level) (n,na) (n,nc) (n,gamma) (n,a) (n,Xa) heating damage-energy (n,n1) (n,a0)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="540">
-    <filters>383 2</filters>
-    <nuclides>total</nuclides>
-    <scores>flux</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="119">
-    <filters>1 5 6</filters>
-    <nuclides>U235 total</nuclides>
-    <scores>scatter nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="54">
-    <filters>1 2</filters>
-    <nuclides>U235 total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="84">
-    <filters>1 2 5 30</filters>
-    <nuclides>U235 total</nuclides>
-    <scores>scatter nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="179">
-    <filters>1 2 5</filters>
-    <nuclides>U235 total</nuclides>
-    <scores>nu-scatter scatter nu-fission prompt-nu-fission (n,nc) (n,n1) (n,2n)</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="90">
-    <filters>1 54</filters>
-    <nuclides>U235 total</nuclides>
-    <scores>nu-fission prompt-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="91">
-    <filters>1 5</filters>
-    <nuclides>U235 total</nuclides>
-    <scores>nu-fission prompt-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="348">
-    <filters>106 2</filters>
-    <nuclides>Zr90 total</nuclides>
-    <scores>total absorption (n,2n) (n,3n) (n,4n) fission nu-fission kappa-fission scatter inverse-velocity prompt-nu-fission (n,elastic) (n,level) (n,na) (n,nc) (n,gamma) (n,a) (n,Xa) heating damage-energy (n,n1) (n,a0)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="300">
-    <filters>106 5 6</filters>
-    <nuclides>Zr90 total</nuclides>
-    <scores>scatter nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="235">
-    <filters>106 2</filters>
-    <nuclides>Zr90 total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="265">
-    <filters>106 2 5 30</filters>
-    <nuclides>Zr90 total</nuclides>
-    <scores>scatter nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="360">
-    <filters>106 2 5</filters>
-    <nuclides>Zr90 total</nuclides>
-    <scores>nu-scatter scatter nu-fission prompt-nu-fission (n,nc) (n,n1) (n,2n)</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="271">
-    <filters>106 54</filters>
-    <nuclides>Zr90 total</nuclides>
-    <scores>nu-fission prompt-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="272">
-    <filters>106 5</filters>
-    <nuclides>Zr90 total</nuclides>
-    <scores>nu-fission prompt-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="529">
-    <filters>251 2</filters>
-    <nuclides>H1 total</nuclides>
-    <scores>total absorption (n,2n) (n,3n) (n,4n) fission nu-fission kappa-fission scatter inverse-velocity prompt-nu-fission (n,elastic) (n,level) (n,na) (n,nc) (n,gamma) (n,a) (n,Xa) heating damage-energy (n,n1) (n,a0)</scores>
-    <estimator>tracklength</estimator>
-  </tally>
-  <tally id="481">
-    <filters>251 5 6</filters>
-    <nuclides>H1 total</nuclides>
-    <scores>scatter nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="416">
-    <filters>251 2</filters>
-    <nuclides>H1 total</nuclides>
-    <scores>nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="446">
-    <filters>251 2 5 30</filters>
-    <nuclides>H1 total</nuclides>
-    <scores>scatter nu-scatter</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="541">
-    <filters>251 2 5</filters>
-    <nuclides>H1 total</nuclides>
-    <scores>nu-scatter scatter nu-fission prompt-nu-fission (n,nc) (n,n1) (n,2n)</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="452">
-    <filters>251 54</filters>
-    <nuclides>H1 total</nuclides>
-    <scores>nu-fission prompt-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-  <tally id="453">
-    <filters>251 5</filters>
-    <nuclides>H1 total</nuclides>
-    <scores>nu-fission prompt-nu-fission</scores>
-    <estimator>analog</estimator>
-  </tally>
-</tallies>
+<model>
+  <materials>
+    <material depletable="true" id="1" name="UO2 (2.4%)">
+      <density units="g/cm3" value="10.29769" />
+      <nuclide ao="4.4843e-06" name="U234" />
+      <nuclide ao="0.00055815" name="U235" />
+      <nuclide ao="0.022408" name="U238" />
+      <nuclide ao="0.045829" name="O16" />
+    </material>
+    <material id="2" name="Zircaloy">
+      <density units="g/cm3" value="6.55" />
+      <nuclide ao="0.021827" name="Zr90" />
+      <nuclide ao="0.00476" name="Zr91" />
+      <nuclide ao="0.0072758" name="Zr92" />
+      <nuclide ao="0.0073734" name="Zr94" />
+      <nuclide ao="0.0011879" name="Zr96" />
+    </material>
+    <material id="3" name="Hot borated water">
+      <density units="g/cm3" value="0.740582" />
+      <nuclide ao="0.049457" name="H1" />
+      <nuclide ao="0.024672" name="O16" />
+      <nuclide ao="8.0042e-06" name="B10" />
+      <nuclide ao="3.2218e-05" name="B11" />
+      <sab name="c_H_in_H2O" />
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" name="Fuel" region="-1" universe="0" />
+    <cell id="2" material="2" name="Cladding" region="1 -2" universe="0" />
+    <cell id="3" material="3" name="Water" region="2 3 -4 5 -6" universe="0" />
+    <surface coeffs="0 0 0.39218" id="1" name="Fuel OR" type="z-cylinder" />
+    <surface coeffs="0 0 0.4572" id="2" name="Clad OR" type="z-cylinder" />
+    <surface boundary="reflective" coeffs="-0.63" id="3" name="left" type="x-plane" />
+    <surface boundary="reflective" coeffs="0.63" id="4" name="right" type="x-plane" />
+    <surface boundary="reflective" coeffs="-0.63" id="5" name="bottom" type="y-plane" />
+    <surface boundary="reflective" coeffs="0.63" id="6" name="top" type="y-plane" />
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>10</batches>
+    <inactive>5</inactive>
+    <source strength="1.0">
+      <space type="fission">
+        <parameters>-0.63 -0.63 -1 0.63 0.63 1</parameters>
+      </space>
+    </source>
+  </settings>
+  <tallies>
+    <filter id="383" type="material">
+      <bins>1 2 3</bins>
+    </filter>
+    <filter id="2" type="energy">
+      <bins>0.0 0.625 20000000.0</bins>
+    </filter>
+    <filter id="1" type="material">
+      <bins>1</bins>
+    </filter>
+    <filter id="5" type="energyout">
+      <bins>0.0 0.625 20000000.0</bins>
+    </filter>
+    <filter id="6" type="legendre">
+      <order>1</order>
+    </filter>
+    <filter id="30" type="legendre">
+      <order>3</order>
+    </filter>
+    <filter id="54" type="energy">
+      <bins>0.0 20000000.0</bins>
+    </filter>
+    <filter id="106" type="material">
+      <bins>2</bins>
+    </filter>
+    <filter id="251" type="material">
+      <bins>3</bins>
+    </filter>
+    <tally id="528">
+      <filters>383 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="167">
+      <filters>1 2</filters>
+      <nuclides>U235 total</nuclides>
+      <scores>total absorption (n,2n) (n,3n) (n,4n) fission nu-fission kappa-fission scatter inverse-velocity prompt-nu-fission (n,elastic) (n,level) (n,na) (n,nc) (n,gamma) (n,a) (n,Xa) heating damage-energy (n,n1) (n,a0)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="540">
+      <filters>383 2</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="119">
+      <filters>1 5 6</filters>
+      <nuclides>U235 total</nuclides>
+      <scores>scatter nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="54">
+      <filters>1 2</filters>
+      <nuclides>U235 total</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="84">
+      <filters>1 2 5 30</filters>
+      <nuclides>U235 total</nuclides>
+      <scores>scatter nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="179">
+      <filters>1 2 5</filters>
+      <nuclides>U235 total</nuclides>
+      <scores>nu-scatter scatter nu-fission prompt-nu-fission (n,nc) (n,n1) (n,2n)</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="90">
+      <filters>1 54</filters>
+      <nuclides>U235 total</nuclides>
+      <scores>nu-fission prompt-nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="91">
+      <filters>1 5</filters>
+      <nuclides>U235 total</nuclides>
+      <scores>nu-fission prompt-nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="348">
+      <filters>106 2</filters>
+      <nuclides>Zr90 total</nuclides>
+      <scores>total absorption (n,2n) (n,3n) (n,4n) fission nu-fission kappa-fission scatter inverse-velocity prompt-nu-fission (n,elastic) (n,level) (n,na) (n,nc) (n,gamma) (n,a) (n,Xa) heating damage-energy (n,n1) (n,a0)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="300">
+      <filters>106 5 6</filters>
+      <nuclides>Zr90 total</nuclides>
+      <scores>scatter nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="235">
+      <filters>106 2</filters>
+      <nuclides>Zr90 total</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="265">
+      <filters>106 2 5 30</filters>
+      <nuclides>Zr90 total</nuclides>
+      <scores>scatter nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="360">
+      <filters>106 2 5</filters>
+      <nuclides>Zr90 total</nuclides>
+      <scores>nu-scatter scatter nu-fission prompt-nu-fission (n,nc) (n,n1) (n,2n)</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="271">
+      <filters>106 54</filters>
+      <nuclides>Zr90 total</nuclides>
+      <scores>nu-fission prompt-nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="272">
+      <filters>106 5</filters>
+      <nuclides>Zr90 total</nuclides>
+      <scores>nu-fission prompt-nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="529">
+      <filters>251 2</filters>
+      <nuclides>H1 total</nuclides>
+      <scores>total absorption (n,2n) (n,3n) (n,4n) fission nu-fission kappa-fission scatter inverse-velocity prompt-nu-fission (n,elastic) (n,level) (n,na) (n,nc) (n,gamma) (n,a) (n,Xa) heating damage-energy (n,n1) (n,a0)</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="481">
+      <filters>251 5 6</filters>
+      <nuclides>H1 total</nuclides>
+      <scores>scatter nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="416">
+      <filters>251 2</filters>
+      <nuclides>H1 total</nuclides>
+      <scores>nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="446">
+      <filters>251 2 5 30</filters>
+      <nuclides>H1 total</nuclides>
+      <scores>scatter nu-scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="541">
+      <filters>251 2 5</filters>
+      <nuclides>H1 total</nuclides>
+      <scores>nu-scatter scatter nu-fission prompt-nu-fission (n,nc) (n,n1) (n,2n)</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="452">
+      <filters>251 54</filters>
+      <nuclides>H1 total</nuclides>
+      <scores>nu-fission prompt-nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="453">
+      <filters>251 5</filters>
+      <nuclides>H1 total</nuclides>
+      <scores>nu-fission prompt-nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+  </tallies>
+</model>

From 6910e3657257ca1dcd6a00370614655afe6b3201 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Sun, 26 Mar 2023 23:22:25 -0500
Subject: [PATCH 1681/2654] Adjustment to coincidence checking and case for
 r_grid[0] == 0

---
 src/mesh.cpp | 13 ++++++++++++-
 1 file changed, 12 insertions(+), 1 deletion(-)

diff --git a/src/mesh.cpp b/src/mesh.cpp
index 3ee489a68..5eb400a4b 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -1066,6 +1066,9 @@ double CylindricalMesh::find_r_crossing(
   // s^2 * (u^2 + v^2) + 2*s*(u*x+v*y) + x^2+y^2-r0^2 = 0
 
   const double r0 = grid_[0][shell];
+  if (r0 == 0.0)
+    return INFTY;
+
   const double denominator = u.x * u.x + u.y * u.y;
 
   // Direction of flight is in z-direction. Will never intersect r.
@@ -1085,6 +1088,9 @@ double CylindricalMesh::find_r_crossing(
   D = std::sqrt(D);
 
   // the solution -p - D is always smaller as -p + D : Check this one first
+  if (std::abs(c) <= 1e-10)
+    return INFTY;
+
   if (-p - D > l && std::abs(c) > 1e-10)
     return -p - D;
   if (-p + D > l)
@@ -1304,14 +1310,19 @@ double SphericalMesh::find_r_crossing(
   // solve |r+s*u| = r0
   // |r+s*u| = |r| + 2*s*r*u + s^2 (|u|==1 !)
   const double r0 = grid_[0][shell];
+  if (r0 == 0.0)
+    return INFTY;
   const double p = r.dot(u);
   double c = r.dot(r) - r0 * r0;
   double D = p * p - c;
 
+  if (std::abs(c) <= 1e-10)
+    return INFTY;
+
   if (D >= 0.0) {
     D = std::sqrt(D);
     // the solution -p - D is always smaller as -p + D : Check this one first
-    if (-p - D > l && std::abs(c) > 1e-10)
+    if (-p - D > l)
       return -p - D;
     if (-p + D > l)
       return -p + D;

From 160360a2a6d2cf1f9bdbbdefa921c2bbca8f394e Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Mon, 27 Mar 2023 15:09:15 -0500
Subject: [PATCH 1682/2654] Remove old condition for cylindrical mesh

---
 src/mesh.cpp | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/src/mesh.cpp b/src/mesh.cpp
index 5eb400a4b..3d94d21a0 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -1091,7 +1091,7 @@ double CylindricalMesh::find_r_crossing(
   if (std::abs(c) <= 1e-10)
     return INFTY;
 
-  if (-p - D > l && std::abs(c) > 1e-10)
+  if (-p - D > l)
     return -p - D;
   if (-p + D > l)
     return -p + D;

From 13a9e8fae4567f2a19156f087f6e4f038f032b20 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Mon, 27 Mar 2023 15:17:15 -0500
Subject: [PATCH 1683/2654] Adding tests with void geometry for cylindrical and
 spherical mesh

---
 tests/unit_tests/test_cylindrical_mesh.py |  89 +++++++++++++++++++
 tests/unit_tests/test_spherical_mesh.py   | 100 ++++++++++++++++++++++
 2 files changed, 189 insertions(+)

diff --git a/tests/unit_tests/test_cylindrical_mesh.py b/tests/unit_tests/test_cylindrical_mesh.py
index 83ba09cc5..c8346bb4a 100644
--- a/tests/unit_tests/test_cylindrical_mesh.py
+++ b/tests/unit_tests/test_cylindrical_mesh.py
@@ -103,3 +103,92 @@ def test_offset_mesh(model, estimator, origin):
                 mean[i, j, k] == 0.0
             else:
                 mean[i, j, k] != 0.0
+
+@pytest.fixture()
+def void_coincident_geom_model():
+    """A model with many geometric boundaries coincident with mesh boundaries
+       across many scales
+    """
+    openmc.reset_auto_ids()
+    model = openmc.model.Model()
+
+    model.materials = openmc.Materials()
+    radii = [0.1,1, 5, 50, 100, 150, 250]
+    spheres = [openmc.Sphere(r=ri) for ri in radii]
+    spheres[-1].boundary_type = 'vacuum'
+
+    regions = openmc.model.subdivide(spheres)[:-1]
+    cells = [openmc.Cell(region=r, fill=None) for r in regions]
+    geom = openmc.Geometry(cells)
+
+    model.geometry = geom
+
+    settings = openmc.Settings(run_mode='fixed source')
+    settings.batches = 2
+    settings.particles = 1000
+    model.settings = settings
+
+    mesh = openmc.CylindricalMesh()
+    mesh.r_grid = np.linspace(0, 250, 501)
+    mesh.z_grid = [-250, 250]
+    mesh.phi_grid = np.linspace(0, 2*np.pi, 2)
+    mesh_filter = openmc.MeshFilter(mesh)
+
+    tally = openmc.Tally()
+    tally.scores = ['flux']
+    tally.filters = [mesh_filter]
+
+    model.tallies = openmc.Tallies([tally])
+
+    return model
+
+
+# convenience function for checking tally results
+# in the following tests
+def _check_void_cylindrical_tally(statepoint_filename):
+    with openmc.StatePoint(statepoint_filename) as sp:
+        flux_tally = sp.tallies[1]
+        mesh = flux_tally.find_filter(openmc.MeshFilter).mesh
+        neutron_flux = flux_tally.get_reshaped_data().squeeze() / mesh.volumes.flatten()
+        flux_diff = np.diff(neutron_flux)
+        # ensure flux values are monotonically decreasing due to
+        # geometric attenuation
+        assert (flux_diff < 0.0).all()
+
+
+def test_void_geom_pnt_src(run_in_tmpdir, void_coincident_geom_model):
+    src = openmc.Source()
+    src.space = openmc.stats.Point()
+    src.angle = openmc.stats.PolarAzimuthal(mu=openmc.stats.Discrete([0.0], [1.0]))
+    src.energy = openmc.stats.Discrete([14.06e6], [1])
+    void_coincident_geom_model.settings.source = src
+
+    sp_filename = void_coincident_geom_model.run()
+    _check_void_cylindrical_tally(sp_filename)
+
+
+def test_void_geom_boundary_src(run_in_tmpdir, void_coincident_geom_model):
+    bbox = void_coincident_geom_model.geometry.bounding_box
+
+    outer_r = bbox[1][0] - 0.0001
+
+    radial_vals = np.linspace(0.0, 2.0*np.pi, 100)
+
+    sources = []
+
+    energy = openmc.stats.Discrete([14.06e6], [1])
+    for val in radial_vals:
+        src = openmc.Source()
+        src.energy = energy
+
+        pnt = np.array([np.cos(val), np.sin(val), 0.0])
+        u = -pnt
+        src.space = openmc.stats.Point(outer_r*pnt)
+        src.angle = openmc.stats.Monodirectional(u)
+
+        sources.append(src)
+
+    void_coincident_geom_model.settings.source = sources
+    sp_filename = void_coincident_geom_model.run()
+
+    _check_void_cylindrical_tally(sp_filename)
\ No newline at end of file
diff --git a/tests/unit_tests/test_spherical_mesh.py b/tests/unit_tests/test_spherical_mesh.py
index 73153f5cc..860156671 100644
--- a/tests/unit_tests/test_spherical_mesh.py
+++ b/tests/unit_tests/test_spherical_mesh.py
@@ -107,3 +107,103 @@ def test_offset_mesh(model, estimator, origin):
                 mean[i, j, k] == 0.0
             else:
                 mean[i, j, k] != 0.0
+
+# Some void geometry tests to check our radial intersection methods on
+# spherical and cylindrical meshes
+
+@pytest.fixture()
+def void_coincident_geom_model():
+    """A model with many geometric boundaries coincident with mesh boundaries
+    across many scales
+    """
+    openmc.reset_auto_ids()
+
+    model = openmc.Model()
+
+    model.materials = openmc.Materials()
+    radii = [0.1, 1, 5, 50, 100, 150, 250]
+    spheres = [openmc.Sphere(r=ri) for ri in radii]
+    spheres[-1].boundary_type = 'vacuum'
+
+    regions = openmc.model.subdivide(spheres)[:-1]
+    cells = [openmc.Cell(region=r, fill=None) for r in regions]
+    geom = openmc.Geometry(cells)
+
+    model.geometry = geom
+
+    settings = openmc.Settings(run_mode='fixed source')
+    settings.batches = 2
+    settings.particles = 5000
+    model.settings = settings
+
+    mesh = openmc.SphericalMesh()
+    mesh.r_grid = np.linspace(0, 250, 501)
+    mesh_filter = openmc.MeshFilter(mesh)
+
+    tally = openmc.Tally()
+    tally.scores = ['flux']
+    tally.filters = [mesh_filter]
+
+    model.tallies = openmc.Tallies([tally])
+
+    return model
+
+
+# convenience function for checking tally results
+# in the following tests
+def _check_void_spherical_tally(statepoint_filename):
+    with openmc.StatePoint(statepoint_filename) as sp:
+        flux_tally = sp.tallies[1]
+        mesh = flux_tally.find_filter(openmc.MeshFilter).mesh
+        neutron_flux = flux_tally.get_reshaped_data().squeeze() / mesh.volumes.flatten()
+        flux_diff = np.diff(neutron_flux)
+        # ensure flux values are monotonically decreasing due to
+        # geometric attenuation
+        assert (flux_diff < 0.0).all()
+
+
+def test_void_geom_pnt_src(run_in_tmpdir, void_coincident_geom_model):
+    # add isotropic point source
+    src = openmc.Source()
+    src.space = openmc.stats.Point()
+    src.energy = openmc.stats.Discrete([14.06e6], [1])
+    void_coincident_geom_model.settings.source = src
+
+    sp_filename = void_coincident_geom_model.run()
+
+    _check_void_spherical_tally(sp_filename)
+
+
+def test_void_geom_boundary_src(run_in_tmpdir, void_coincident_geom_model):
+    # update source to a number of points on the outside of the sphere
+    # with directions pointing toward the origin
+
+    # sources
+    phi_vals = np.linspace(0, np.pi, 20)
+    theta_vals = np.linspace(0, 2.0*np.pi, 20)
+
+    bbox = void_coincident_geom_model.geometry.bounding_box
+    # can't source particles directly on the geometry boundary
+    outer_r = bbox[1][0] - 0.00001
+
+    sources = []
+
+    energy = openmc.stats.Discrete([14.06e6], [1])
+
+    for phi, theta in zip(phi_vals, theta_vals):
+
+        src = openmc.Source()
+        src.energy = energy
+
+        pnt = np.array([np.sin(phi)*np.cos(theta), np.sin(phi)*np.sin(theta), np.cos(phi)])
+        u = -pnt
+        src.space = openmc.stats.Point(outer_r*pnt)
+        src.angle = openmc.stats.Monodirectional(u)
+
+        sources.append(src)
+
+    void_coincident_geom_model.settings.source = sources
+
+    sp_filename = void_coincident_geom_model.run()
+
+    _check_void_spherical_tally(sp_filename)

From ab403b2fc8cf0aed15065c7caeafdfa79f4c07af Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Mon, 27 Mar 2023 16:15:38 -0500
Subject: [PATCH 1684/2654] Improvements to tests

---
 tests/unit_tests/test_cylindrical_mesh.py | 22 ++++++++++++--------
 tests/unit_tests/test_spherical_mesh.py   | 25 ++++++++++++-----------
 2 files changed, 26 insertions(+), 21 deletions(-)

diff --git a/tests/unit_tests/test_cylindrical_mesh.py b/tests/unit_tests/test_cylindrical_mesh.py
index c8346bb4a..27c4d5a1f 100644
--- a/tests/unit_tests/test_cylindrical_mesh.py
+++ b/tests/unit_tests/test_cylindrical_mesh.py
@@ -149,12 +149,12 @@ def _check_void_cylindrical_tally(statepoint_filename):
     with openmc.StatePoint(statepoint_filename) as sp:
         flux_tally = sp.tallies[1]
         mesh = flux_tally.find_filter(openmc.MeshFilter).mesh
-        neutron_flux = flux_tally.get_reshaped_data().squeeze() / mesh.volumes.flatten()
-        flux_diff = np.diff(neutron_flux)
-        # ensure flux values are monotonically decreasing due to
-        # geometric attenuation
-        assert (flux_diff < 0.0).all()
-
+        neutron_flux = flux_tally.get_reshaped_data().squeeze()
+        # we expect the tally results to be the same as the mesh grid width
+        # for these cases
+        print(neutron_flux)
+        d_r = mesh.r_grid[1] - mesh.r_grid[0]
+        assert neutron_flux == pytest.approx(d_r)
 
 def test_void_geom_pnt_src(run_in_tmpdir, void_coincident_geom_model):
     src = openmc.Source()
@@ -168,11 +168,15 @@ def test_void_geom_pnt_src(run_in_tmpdir, void_coincident_geom_model):
 
 
 def test_void_geom_boundary_src(run_in_tmpdir, void_coincident_geom_model):
+    # update source to a number of points on the outside of the cylinder
+    # with directions pointing toward the origin
     bbox = void_coincident_geom_model.geometry.bounding_box
 
-    outer_r = bbox[1][0] - 0.0001
+    # can't source particle directly on the geometry boundary
+    outer_r = bbox[1][0] - 1e-08
 
-    radial_vals = np.linspace(0.0, 2.0*np.pi, 100)
+    n_sources = 100
+    radial_vals = np.linspace(0.0, 2.0*np.pi, n_sources)
 
     sources = []
 
@@ -185,7 +189,7 @@ def test_void_geom_boundary_src(run_in_tmpdir, void_coincident_geom_model):
         u = -pnt
         src.space = openmc.stats.Point(outer_r*pnt)
         src.angle = openmc.stats.Monodirectional(u)
-
+        src.strength = 0.5/n_sources
         sources.append(src)
 
     void_coincident_geom_model.settings.source = sources
diff --git a/tests/unit_tests/test_spherical_mesh.py b/tests/unit_tests/test_spherical_mesh.py
index 860156671..0f02e9699 100644
--- a/tests/unit_tests/test_spherical_mesh.py
+++ b/tests/unit_tests/test_spherical_mesh.py
@@ -155,11 +155,11 @@ def _check_void_spherical_tally(statepoint_filename):
     with openmc.StatePoint(statepoint_filename) as sp:
         flux_tally = sp.tallies[1]
         mesh = flux_tally.find_filter(openmc.MeshFilter).mesh
-        neutron_flux = flux_tally.get_reshaped_data().squeeze() / mesh.volumes.flatten()
-        flux_diff = np.diff(neutron_flux)
-        # ensure flux values are monotonically decreasing due to
-        # geometric attenuation
-        assert (flux_diff < 0.0).all()
+        neutron_flux = flux_tally.get_reshaped_data().squeeze()
+        # the flux values for each bin should equal the width
+        # width of the mesh bins
+        d_r = mesh.r_grid[1] - mesh.r_grid[0]
+        assert neutron_flux == pytest.approx(d_r)
 
 
 def test_void_geom_pnt_src(run_in_tmpdir, void_coincident_geom_model):
@@ -169,22 +169,21 @@ def test_void_geom_pnt_src(run_in_tmpdir, void_coincident_geom_model):
     src.energy = openmc.stats.Discrete([14.06e6], [1])
     void_coincident_geom_model.settings.source = src
 
+    # run model and check tally results
     sp_filename = void_coincident_geom_model.run()
-
     _check_void_spherical_tally(sp_filename)
 
 
 def test_void_geom_boundary_src(run_in_tmpdir, void_coincident_geom_model):
     # update source to a number of points on the outside of the sphere
     # with directions pointing toward the origin
-
-    # sources
-    phi_vals = np.linspace(0, np.pi, 20)
-    theta_vals = np.linspace(0, 2.0*np.pi, 20)
+    n_sources = 20
+    phi_vals = np.linspace(0, np.pi, n_sources)
+    theta_vals = np.linspace(0, 2.0*np.pi, n_sources)
 
     bbox = void_coincident_geom_model.geometry.bounding_box
     # can't source particles directly on the geometry boundary
-    outer_r = bbox[1][0] - 0.00001
+    outer_r = bbox[1][0] - 1e-08
 
     sources = []
 
@@ -199,11 +198,13 @@ def test_void_geom_boundary_src(run_in_tmpdir, void_coincident_geom_model):
         u = -pnt
         src.space = openmc.stats.Point(outer_r*pnt)
         src.angle = openmc.stats.Monodirectional(u)
+        # set source strengths so that we can still expect
+        # a tally value of 0.5
+        src.strength = 0.5/n_sources
 
         sources.append(src)
 
     void_coincident_geom_model.settings.source = sources
 
     sp_filename = void_coincident_geom_model.run()
-
     _check_void_spherical_tally(sp_filename)

From 63fa42843b04966d75bb4eb0c3a91e12e531d2b9 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Mon, 27 Mar 2023 16:50:18 -0500
Subject: [PATCH 1685/2654] Removing unused print statements

---
 tests/unit_tests/test_cylindrical_mesh.py | 2 --
 tests/unit_tests/test_spherical_mesh.py   | 1 -
 2 files changed, 3 deletions(-)

diff --git a/tests/unit_tests/test_cylindrical_mesh.py b/tests/unit_tests/test_cylindrical_mesh.py
index 27c4d5a1f..cbdb1d315 100644
--- a/tests/unit_tests/test_cylindrical_mesh.py
+++ b/tests/unit_tests/test_cylindrical_mesh.py
@@ -98,7 +98,6 @@ def test_offset_mesh(model, estimator, origin):
         centroids = mesh.centroids
         for ijk in mesh.indices:
             i, j, k = np.array(ijk) - 1
-            print(centroids[:, i, j, k])
             if model.geometry.find(centroids[:, i, j, k]):
                 mean[i, j, k] == 0.0
             else:
@@ -152,7 +151,6 @@ def _check_void_cylindrical_tally(statepoint_filename):
         neutron_flux = flux_tally.get_reshaped_data().squeeze()
         # we expect the tally results to be the same as the mesh grid width
         # for these cases
-        print(neutron_flux)
         d_r = mesh.r_grid[1] - mesh.r_grid[0]
         assert neutron_flux == pytest.approx(d_r)
 
diff --git a/tests/unit_tests/test_spherical_mesh.py b/tests/unit_tests/test_spherical_mesh.py
index 0f02e9699..ba3167d6f 100644
--- a/tests/unit_tests/test_spherical_mesh.py
+++ b/tests/unit_tests/test_spherical_mesh.py
@@ -102,7 +102,6 @@ def test_offset_mesh(model, estimator, origin):
         centroids = mesh.centroids
         for ijk in mesh.indices:
             i, j, k = np.array(ijk) - 1
-            print(centroids[:, i, j, k])
             if model.geometry.find(centroids[:, i, j, k]):
                 mean[i, j, k] == 0.0
             else:

From 26c031a041e110b1ac944044c5d011e4b874b20d Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Mon, 27 Mar 2023 16:54:42 -0500
Subject: [PATCH 1686/2654] Run tests in tmpdir to keep repo clean

---
 tests/unit_tests/test_cylindrical_mesh.py | 2 +-
 tests/unit_tests/test_spherical_mesh.py   | 2 +-
 2 files changed, 2 insertions(+), 2 deletions(-)

diff --git a/tests/unit_tests/test_cylindrical_mesh.py b/tests/unit_tests/test_cylindrical_mesh.py
index cbdb1d315..2be0f4962 100644
--- a/tests/unit_tests/test_cylindrical_mesh.py
+++ b/tests/unit_tests/test_cylindrical_mesh.py
@@ -75,7 +75,7 @@ def label(p):
         return f'estimator:{p}'
 
 @pytest.mark.parametrize('estimator,origin', test_cases, ids=label)
-def test_offset_mesh(model, estimator, origin):
+def test_offset_mesh(run_in_tmpdir, model, estimator, origin):
     """Tests that the mesh has been moved based on tally results
     """
     mesh = model.tallies[0].filters[0].mesh
diff --git a/tests/unit_tests/test_spherical_mesh.py b/tests/unit_tests/test_spherical_mesh.py
index ba3167d6f..ac2781378 100644
--- a/tests/unit_tests/test_spherical_mesh.py
+++ b/tests/unit_tests/test_spherical_mesh.py
@@ -79,7 +79,7 @@ def label(p):
         return f'estimator:{p}'
 
 @pytest.mark.parametrize('estimator,origin', test_cases, ids=label)
-def test_offset_mesh(model, estimator, origin):
+def test_offset_mesh(run_in_tmpdir, model, estimator, origin):
     """Tests that the mesh has been moved based on tally results
     """
     mesh = model.tallies[0].filters[0].mesh

From e41ae3604ea6a7448219be7ae764337ac0043edc Mon Sep 17 00:00:00 2001
From: aprilnovak <novak@berkeley.edu>
Date: Mon, 27 Mar 2023 18:36:49 -0500
Subject: [PATCH 1687/2654] Clone material. Refs #2442

---
 include/openmc/material.h |  3 +++
 src/material.cpp          | 31 +++++++++++++++++++++++++++++++
 2 files changed, 34 insertions(+)

diff --git a/include/openmc/material.h b/include/openmc/material.h
index 8db9bb628..36a6acf93 100644
--- a/include/openmc/material.h
+++ b/include/openmc/material.h
@@ -90,6 +90,9 @@ public:
   void set_densities(
     const vector<std::string>& name, const vector<double>& density);
 
+  //! Clone the material by deep-copying all members
+  void clone();
+
   //----------------------------------------------------------------------------
   // Accessors
 
diff --git a/src/material.cpp b/src/material.cpp
index 74a8d7e35..ec82a7eea 100644
--- a/src/material.cpp
+++ b/src/material.cpp
@@ -353,6 +353,37 @@ Material::~Material()
   model::material_map.erase(id_);
 }
 
+void Material::clone()
+{
+  std::unique_ptr<Material> mat = std::make_unique<Material>();
+  mat->index_ = model::materials.size();
+  mat->set_id(C_NONE);
+
+  // set all other parameters to whatever the calling Material has
+  mat->name_ = name_;
+  mat->nuclide_ = nuclide_;
+  mat->element_ = element_;
+  mat->ncrystal_mat_ = ncrystal_mat_;
+  mat->atom_density_ = atom_density_;
+  mat->density_ = density_;
+  mat->density_gpcc_ = density_gpcc_;
+  mat->volume_ = volume_;
+  mat->fissionable_ = fissionable_;
+  mat->depletable_ = depletable_;
+  mat->p0_ = p0_;
+  mat->mat_nuclide_index_ = mat_nuclide_index_;
+  mat->thermal_tables_ = thermal_tables_;
+  mat->temperature_ = temperature_;
+
+  if (ttb_)
+  {
+    std::unique_ptr<Bremsstrahlung> ptr2{new Bremsstrahlung{*ttb_}};
+    mat->ttb_ = std::move(ptr2);
+  }
+
+  model::materials.push_back(std::move(mat));
+}
+
 void Material::finalize()
 {
   // Set fissionable if any nuclide is fissionable

From a44c1f89de907292863b47ecdc62b10cb6685d40 Mon Sep 17 00:00:00 2001
From: aprilnovak <novak@berkeley.edu>
Date: Mon, 27 Mar 2023 19:21:30 -0500
Subject: [PATCH 1688/2654] Address review comments. Refs #2442

---
 src/material.cpp | 8 +++-----
 1 file changed, 3 insertions(+), 5 deletions(-)

diff --git a/src/material.cpp b/src/material.cpp
index ec82a7eea..165a5c2e7 100644
--- a/src/material.cpp
+++ b/src/material.cpp
@@ -353,7 +353,7 @@ Material::~Material()
   model::material_map.erase(id_);
 }
 
-void Material::clone()
+Material & Material::clone()
 {
   std::unique_ptr<Material> mat = std::make_unique<Material>();
   mat->index_ = model::materials.size();
@@ -376,12 +376,10 @@ void Material::clone()
   mat->temperature_ = temperature_;
 
   if (ttb_)
-  {
-    std::unique_ptr<Bremsstrahlung> ptr2{new Bremsstrahlung{*ttb_}};
-    mat->ttb_ = std::move(ptr2);
-  }
+    mat->ttb_ = std::make_unique<Bremsstrahlung>(*ttb_);
 
   model::materials.push_back(std::move(mat));
+  return *mat;
 }
 
 void Material::finalize()

From fa222a4b314dac399d471fd2016e839a9c98549a Mon Sep 17 00:00:00 2001
From: aprilnovak <novak@berkeley.edu>
Date: Mon, 27 Mar 2023 19:23:04 -0500
Subject: [PATCH 1689/2654] Address review comments.

---
 include/openmc/material.h | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/include/openmc/material.h b/include/openmc/material.h
index 36a6acf93..36d7c34c6 100644
--- a/include/openmc/material.h
+++ b/include/openmc/material.h
@@ -91,7 +91,7 @@ public:
     const vector<std::string>& name, const vector<double>& density);
 
   //! Clone the material by deep-copying all members
-  void clone();
+  Material & clone();
 
   //----------------------------------------------------------------------------
   // Accessors

From e5863eec1b80a24ffb471eb8287125c1e18d00db Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Tue, 28 Mar 2023 07:35:22 -0500
Subject: [PATCH 1690/2654] Correcting variable name

---
 tests/unit_tests/test_cylindrical_mesh.py | 6 +++---
 1 file changed, 3 insertions(+), 3 deletions(-)

diff --git a/tests/unit_tests/test_cylindrical_mesh.py b/tests/unit_tests/test_cylindrical_mesh.py
index 2be0f4962..caf933360 100644
--- a/tests/unit_tests/test_cylindrical_mesh.py
+++ b/tests/unit_tests/test_cylindrical_mesh.py
@@ -113,10 +113,10 @@ def void_coincident_geom_model():
 
     model.materials = openmc.Materials()
     radii = [0.1,1, 5, 50, 100, 150, 250]
-    spheres = [openmc.Sphere(r=ri) for ri in radii]
-    spheres[-1].boundary_type = 'vacuum'
+    cylinders = [openmc.Sphere(r=ri) for ri in radii]
+    cylinders[-1].boundary_type = 'vacuum'
 
-    regions = openmc.model.subdivide(spheres)[:-1]
+    regions = openmc.model.subdivide(cylinders)[:-1]
     cells = [openmc.Cell(region=r, fill=None) for r in regions]
     geom = openmc.Geometry(cells)
 

From 86e9a4bd4b1c619e3f39b761a3a81658665ded19 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Tue, 28 Mar 2023 08:47:42 -0500
Subject: [PATCH 1691/2654] Adding constants for coincidence checking

---
 include/openmc/constants.h | 4 ++++
 src/mesh.cpp               | 4 ++--
 src/surface.cpp            | 2 +-
 3 files changed, 7 insertions(+), 3 deletions(-)

diff --git a/include/openmc/constants.h b/include/openmc/constants.h
index 2a867c0ca..b0031fae3 100644
--- a/include/openmc/constants.h
+++ b/include/openmc/constants.h
@@ -51,6 +51,10 @@ constexpr double FP_PRECISION {1e-14};
 constexpr double FP_REL_PRECISION {1e-5};
 constexpr double FP_COINCIDENT {1e-12};
 
+// Coincidence tolerances
+constexpr double TORUS_TOL {1e-10};
+constexpr double RADIAL_MESH_TOL {1e-10};
+
 // Maximum number of random samples per history
 constexpr int MAX_SAMPLE {100000};
 
diff --git a/src/mesh.cpp b/src/mesh.cpp
index 3d94d21a0..e72a5cf7d 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -1088,7 +1088,7 @@ double CylindricalMesh::find_r_crossing(
   D = std::sqrt(D);
 
   // the solution -p - D is always smaller as -p + D : Check this one first
-  if (std::abs(c) <= 1e-10)
+  if (std::abs(c) <= RADIAL_MESH_TOL)
     return INFTY;
 
   if (-p - D > l)
@@ -1316,7 +1316,7 @@ double SphericalMesh::find_r_crossing(
   double c = r.dot(r) - r0 * r0;
   double D = p * p - c;
 
-  if (std::abs(c) <= 1e-10)
+  if (std::abs(c) <= RADIAL_MESH_TOL)
     return INFTY;
 
   if (D >= 0.0) {
diff --git a/src/surface.cpp b/src/surface.cpp
index c0b3f0a59..2403d0c6a 100644
--- a/src/surface.cpp
+++ b/src/surface.cpp
@@ -1044,7 +1044,7 @@ double torus_distance(double x1, double x2, double x3, double u1, double u2,
   // zero but possibly small and positive. A tolerance is set to discard that
   // zero.
   double distance = INFTY;
-  double cutoff = coincident ? 1e-10 : 0.0;
+  double cutoff = coincident ? TORUS_TOL : 0.0;
   for (int i = 0; i < 4; ++i) {
     if (roots[i].imag() == 0) {
       double root = roots[i].real();

From 6cb4401230e9189169a4754180ec3d6a2b3e20b1 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Tue, 28 Mar 2023 10:11:14 -0500
Subject: [PATCH 1692/2654] Correcting surface type in cylinder tests

---
 tests/unit_tests/test_cylindrical_mesh.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/tests/unit_tests/test_cylindrical_mesh.py b/tests/unit_tests/test_cylindrical_mesh.py
index caf933360..4382b49ba 100644
--- a/tests/unit_tests/test_cylindrical_mesh.py
+++ b/tests/unit_tests/test_cylindrical_mesh.py
@@ -113,7 +113,7 @@ def void_coincident_geom_model():
 
     model.materials = openmc.Materials()
     radii = [0.1,1, 5, 50, 100, 150, 250]
-    cylinders = [openmc.Sphere(r=ri) for ri in radii]
+    cylinders = [openmc.ZCylinder(r=ri) for ri in radii]
     cylinders[-1].boundary_type = 'vacuum'
 
     regions = openmc.model.subdivide(cylinders)[:-1]

From 7bbf5466e6aec1c7610e69e8c7a6f144e8951f1d Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Sun, 26 Mar 2023 11:15:36 -0500
Subject: [PATCH 1693/2654] Add missing versionadded directives

---
 openmc/deplete/results.py         | 2 ++
 openmc/filter.py                  | 2 ++
 openmc/geometry.py                | 2 ++
 openmc/model/model.py             | 2 ++
 openmc/model/surface_composite.py | 4 +++-
 openmc/tallies.py                 | 2 ++
 6 files changed, 13 insertions(+), 1 deletion(-)

diff --git a/openmc/deplete/results.py b/openmc/deplete/results.py
index 3602d6918..c9dc19816 100644
--- a/openmc/deplete/results.py
+++ b/openmc/deplete/results.py
@@ -398,6 +398,8 @@ class Results(list):
         path : PathLike
             Path to materials XML file to read. Defaults to 'materials.xml'.
 
+            .. versionadded:: 0.13.3
+
         Returns
         -------
         mat_file : Materials
diff --git a/openmc/filter.py b/openmc/filter.py
index 3240c9e25..cc7bdd931 100644
--- a/openmc/filter.py
+++ b/openmc/filter.py
@@ -1349,6 +1349,8 @@ class EnergyFilter(RealFilter):
         (e.g., a source spectrum) based on tally results that were obtained from
         using an :class:`~openmc.EnergyFilter`.
 
+        .. versionadded:: 0.13.3
+
         Parameters
         ----------
         values : iterable of float
diff --git a/openmc/geometry.py b/openmc/geometry.py
index d01826a4d..ad86cc56b 100644
--- a/openmc/geometry.py
+++ b/openmc/geometry.py
@@ -537,6 +537,8 @@ class Geometry:
     def get_surfaces_by_name(self, name, case_sensitive=False, matching=False):
         """Return a list of surfaces with matching names.
 
+        .. versionadded:: 0.13.3
+
         Parameters
         ----------
         name : str
diff --git a/openmc/model/model.py b/openmc/model/model.py
index 78f02242f..4202cf60b 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -644,6 +644,8 @@ class Model:
             Exports a single model.xml file rather than separate files.
             Defaults to True.
 
+            .. versionadded:: 0.13.3
+
         Returns
         -------
         Path
diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index 354a62883..25826723c 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -632,6 +632,8 @@ class ZConeOneSided(CompositeSurface):
 class Polygon(CompositeSurface):
     """Create a polygon composite surface from a path of closed points.
 
+    .. versionadded:: 0.13.3
+
     Parameters
     ----------
     points : np.ndarray
@@ -927,7 +929,7 @@ class Polygon(CompositeSurface):
         if group is None:
             sidx = next(iter(neighbor_map))
             return self._group_simplices(neighbor_map, group=[sidx])
-        # Otherwise use the last simplex in the group 
+        # Otherwise use the last simplex in the group
         else:
             sidx = group[-1]
             # Remove current simplex from dictionary since it is in a group
diff --git a/openmc/tallies.py b/openmc/tallies.py
index 688369de0..1a27e1bd4 100644
--- a/openmc/tallies.py
+++ b/openmc/tallies.py
@@ -1436,6 +1436,8 @@ class Tally(IDManagerMixin):
             dimensions. This will result in more than one dimension per filter
             for the returned data array.
 
+            .. versionadded:: 0.13.3
+
         Returns
         -------
         numpy.ndarray

From 75dcf5b9a77f27eeb6e971e9b606360b0dc1bbf9 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Sun, 26 Mar 2023 11:16:23 -0500
Subject: [PATCH 1694/2654] Add release notes for 0.13.3

---
 docs/source/releasenotes/0.13.2.rst |   2 +-
 docs/source/releasenotes/0.13.3.rst | 134 ++++++++++++++++++++++++++++
 docs/source/releasenotes/index.rst  |   1 +
 3 files changed, 136 insertions(+), 1 deletion(-)
 create mode 100644 docs/source/releasenotes/0.13.3.rst

diff --git a/docs/source/releasenotes/0.13.2.rst b/docs/source/releasenotes/0.13.2.rst
index e9175358b..b0c9b0691 100644
--- a/docs/source/releasenotes/0.13.2.rst
+++ b/docs/source/releasenotes/0.13.2.rst
@@ -14,7 +14,7 @@ Notably, a capability has been added to compute the photon spectra from decay of
 unstable nuclides. Alongside that, a new :data:`openmc.config` configuration
 variable has been introduced that allows easier configuration of data sources.
 Additionally, users can now perform cell or material rejection when sampling
-external source distributions. Finally,
+external source distributions.
 
 ------------------------------------
 Compatibility Notes and Deprecations
diff --git a/docs/source/releasenotes/0.13.3.rst b/docs/source/releasenotes/0.13.3.rst
new file mode 100644
index 000000000..c2debbcb3
--- /dev/null
+++ b/docs/source/releasenotes/0.13.3.rst
@@ -0,0 +1,134 @@
+====================
+What's New in 0.13.3
+====================
+
+.. currentmodule:: openmc
+
+-------
+Summary
+-------
+
+This release of OpenMC includes many bug fixes, performance improvements, and
+several notable new features. Some of the highlights include support for MCPL
+source files, NCrystal thermal scattering materials, and a new
+:class:`openmc.stats.MeshSpatial` class that allows a source distribution to be
+specified over a mesh. Additionally, OpenMC now allows you to export your model
+as a single XML file rather than separate XML files for geometry, materials,
+settings, and tallies.
+
+------------------------------------
+Compatibility Notes and Deprecations
+------------------------------------
+
+- Atomic mass data used in :func:`openmc.data.atomic_mass` has been updated to
+  AME 2020, which results in slightly different masses.
+
+------------
+New Features
+------------
+
+- Support was added for `MCPL <https://mctools.github.io/mcpl/>`_ files to be
+  used as external sources. Additionally, source points and surfaces sources can
+  be written as MCPL files instead of HDF5 files. (`#2116
+  <https://github.com/openmc-dev/openmc/pull/2116>`_)
+- Support was added for `NCrystal <https://github.com/mctools/ncrystal>`_
+  thermal scattering materials. (`#2222
+  <https://github.com/openmc-dev/openmc/pull/2222>`_)
+- The :class:`~openmc.CylindricalMesh` and :class:`~openmc.SphericalMesh`
+  classes now have an ``origin`` attribute that changes the center of the mesh.
+  (`#2256 <https://github.com/openmc-dev/openmc/pull/2256>`_)
+- A new :class:`openmc.model.Polygon` class allows defining generalized 2D
+  polygons. (`#2266 <https://github.com/openmc-dev/openmc/pull/2266>`_)
+- A new :func:`openmc.data.decay_energy` function and
+  :meth:`openmc.Material.get_decay_heat` method enable determination of decay
+  heat from a single nuclide or material. (`#2287
+  <https://github.com/openmc-dev/openmc/pull/2287>`_)
+- Full models can now be written as a single XML file rather than separate
+  geometry, materials, settings, and tallies XML files. (`#2291
+  <https://github.com/openmc-dev/openmc/pull/2291>`_)
+- Discrete distributions are now sampled using alias sampling, which is O(1) in
+  time. (`#2329 <https://github.com/openmc-dev/openmc/pull/2329>`_)
+- The new :class:`openmc.stats.MeshSpatial` allows a spatial source distribution
+  to be specified with source strengths for each mesh element. (`#2334
+  <https://github.com/openmc-dev/openmc/pull/2334>`_)
+- The new :meth:`openmc.Geometry.get_surfaces_by_name` method returns a list of
+  matching surfaces in a geometry. (`#2347
+  <https://github.com/openmc-dev/openmc/pull/2347>`_)
+- A new :attr:`openmc.Settings.create_delayed_neutrons` attribute controls
+  whether delayed neutrons are created during a simulation. (`#2348
+  <https://github.com/openmc-dev/openmc/pull/2348>`_)
+- The :meth:`openmc.deplete.Results.export_to_materials` method now takes a
+  ``path`` argument. (`#2364 <https://github.com/openmc-dev/openmc/pull/2364>`_)
+- A new :meth:`openmc.EnergyFilter.get_tabular` method allows one to create a
+  tabular distribution based on tally results using an energy filter. (`#2371
+  <https://github.com/openmc-dev/openmc/pull/2371>`_)
+- Several methods in the :class:`openmc.Material` class that require a volume to
+  be set (e.g., :meth:`~openmc.Material.get_mass`) now accept a ``volume``
+  argument. (`#2412 <https://github.com/openmc-dev/openmc/pull/2412>`_)
+
+---------
+Bug Fixes
+---------
+
+- Fix for finding redundant surfaces (`#2263 <https://github.com/openmc-dev/openmc/pull/2263>`_)
+- Adds tolerance for temperatures slightly out of bounds (`#2265 <https://github.com/openmc-dev/openmc/pull/2265>`_)
+- Fix getter/setter for weight window bounds (`#2275 <https://github.com/openmc-dev/openmc/pull/2275>`_)
+- Make sure Chain.reduce preserves decay source (`#2283 <https://github.com/openmc-dev/openmc/pull/2283>`_)
+- Fix array shape for weight window bounds (`#2284 <https://github.com/openmc-dev/openmc/pull/2284>`_)
+- Fix for non-zero CDF start points in TSL data (`#2290 <https://github.com/openmc-dev/openmc/pull/2290>`_)
+- Fix a case where inelastic scattering yield is zero (`#2295 <https://github.com/openmc-dev/openmc/pull/2295>`_)
+- Prevent Compton profile out-of-bounds memory access (`#2297 <https://github.com/openmc-dev/openmc/pull/2297>`_)
+- Produce light particles from decay (`#2301 <https://github.com/openmc-dev/openmc/pull/2301>`_)
+- Fix zero runtime attributes in depletion statepoints (`#2302 <https://github.com/openmc-dev/openmc/pull/2302>`_)
+- Fix bug in openmc.Universe.get_nuclide_densities (`#2310 <https://github.com/openmc-dev/openmc/pull/2310>`_)
+- Only show print output from depletion on rank 0 (`#2311 <https://github.com/openmc-dev/openmc/pull/2311>`_)
+- Fix photon transport with no atomic relaxation data (`#2312 <https://github.com/openmc-dev/openmc/pull/2312>`_)
+- Fix for precedence in region expressions (`#2318 <https://github.com/openmc-dev/openmc/pull/2318>`_)
+- Allow source particles with energy below cutoff (`#2319 <https://github.com/openmc-dev/openmc/pull/2319>`_)
+- Fix IncidentNeutron.from_njoy for high temperatures (`#2320 <https://github.com/openmc-dev/openmc/pull/2320>`_)
+- Add capability to unset cell temperatures (`#2323 <https://github.com/openmc-dev/openmc/pull/2323>`_)
+- Fix in plot_xs when S(a,b) tables are present (`#2335 <https://github.com/openmc-dev/openmc/pull/2335>`_)
+- Various fixes for tally triggers (`#2344 <https://github.com/openmc-dev/openmc/pull/2344>`_)
+- Raise error when mesh is flat (`#2363 <https://github.com/openmc-dev/openmc/pull/2363>`_)
+- Don't call normalize inside Tabular.mean (`#2375 <https://github.com/openmc-dev/openmc/pull/2375>`_)
+- Avoid out-of-bounds access in inelastic scatter sampling (`#2378 <https://github.com/openmc-dev/openmc/pull/2378>`_)
+- Use correct direction for anisotropic fission (`#2381 <https://github.com/openmc-dev/openmc/pull/2381>`_)
+- Fix several thermal scattering nuclide assignments (`#2382 <https://github.com/openmc-dev/openmc/pull/2382>`_)
+- Fix _materials_by_id attribute in Model (`#2385 <https://github.com/openmc-dev/openmc/pull/2385>`_)
+- Updates to batch checks for simulation restarts (`#2390 <https://github.com/openmc-dev/openmc/pull/2390>`_)
+- write_data_to_vtk volume normalization correction (`#2397 <https://github.com/openmc-dev/openmc/pull/2397>`_)
+- Enable generation of JEFF 3.3 depletion chain (`#2410 <https://github.com/openmc-dev/openmc/pull/2410>`_)
+- Fix spherical to Cartesian coordinate conversion (`#2417 <https://github.com/openmc-dev/openmc/pull/2417>`_)
+- Handle zero photon cross sections in IncidentPhoton.from_ace (`#2433 <https://github.com/openmc-dev/openmc/pull/2433>`_)
+- Fix hybrid depletion when nuclides are not present (`#2436 <https://github.com/openmc-dev/openmc/pull/2436>`_)
+- Fix bug in cylindrical and spherical meshes (`#2439 <https://github.com/openmc-dev/openmc/pull/2439>`_)
+- Improvements to mesh radial boundary coincidence (`#2443 <https://github.com/openmc-dev/openmc/pull/2443>`_)
+
+------------
+Contributors
+------------
+
+- `Hunter Belanger <https://github.com/HunterBelanger>`_
+- `Rémi Delaporte-Mathurin <https://github.com/RemDelaporteMathurin>`_
+- `Christopher Fichtlscherer <https://github.com/cfichtlscherer>`_
+- `Valerio Giusti <https://github.com/valeriogiusti>`_
+- `Chris Keckler <https://github.com/keckler>`_
+- `Kalin Kiesling <https://github.com/kkiesling>`_
+- `Thomas Kittelmann <https://github.com/tkittel>`_
+- `Erik Knudsen <https://github.com/ebknudsen>`_
+- `Colin Larmier <https://github.com/colinelarmier>`_
+- `Amanda Lund <https://github.com/amandalund>`_
+- `Jose Ignacio Marquez Damien <https://github.com/marquezj>`_
+- `Josh May <https://github.com/joshmay1>`_
+- `Patrick Myers <https://github.com/myerspat>`_
+- `Baptiste Mouginot <https://github.com/bam241>`_
+- `April Novak <https://github.com/aprilnovak>`_
+- `Matthew Nyberg <https://github.com/NybergWISC>`_
+- `Ethan Peterson <https://github.com/eepeterson>`_
+- `Gavin Ridley <https://github.com/gridley>`_
+- `Paul Romano <https://github.com/paulromano>`_
+- `Patrick Shriwise <https://github.com/pshriwise>`_
+- `Jonathan Shimwell <https://github.com/Shimwell>`_
+- `Paul Wilson <https://github.com/gonuke>`_
+- `Olek Yardas <https://github.com/yardasol>`_
+- `Jiankai Yu <https://github.com/rockfool>`_
diff --git a/docs/source/releasenotes/index.rst b/docs/source/releasenotes/index.rst
index 910737a41..30b6d51de 100644
--- a/docs/source/releasenotes/index.rst
+++ b/docs/source/releasenotes/index.rst
@@ -7,6 +7,7 @@ Release Notes
 .. toctree::
   :maxdepth: 1
 
+  0.13.3
   0.13.2
   0.13.1
   0.13.0

From 2f50599d4f347d5a247f0ca8c3f5419d2b8b6301 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Sun, 26 Mar 2023 16:15:23 -0500
Subject: [PATCH 1695/2654] Update install instructions

---
 docs/source/usersguide/install.rst | 29 +++++++++++++++++------------
 1 file changed, 17 insertions(+), 12 deletions(-)

diff --git a/docs/source/usersguide/install.rst b/docs/source/usersguide/install.rst
index 899e16506..af6a93f9d 100644
--- a/docs/source/usersguide/install.rst
+++ b/docs/source/usersguide/install.rst
@@ -277,7 +277,7 @@ Prerequisites
       Lists) files instead of .h5 files for sources (external source
       distribution, k-eigenvalue source distribution, and surface sources). To
       turn this option on in the CMake configuration step, add the following
-      option:
+      option::
 
           cmake -DOPENMC_USE_MCPL=on ..
 
@@ -288,7 +288,7 @@ Prerequisites
       on-the-fly approach. To use it `install
       <https://github.com/mctools/ncrystal/wiki/Get-NCrystal>`_ and `initialize
       <https://github.com/mctools/ncrystal/wiki/Using-NCrystal#setting-up>`_
-      NCrystal and turn on the option in the CMake configuration step:
+      NCrystal and turn on the option in the CMake configuration step::
 
           cmake -DOPENMC_USE_NCRYSTAL=on ..
 
@@ -299,7 +299,7 @@ Prerequisites
       be used, but the implementation is currently restricted to collision
       estimators. In addition to turning this option on, the path to the libMesh
       installation should be specified as part of the ``CMAKE_PREFIX_PATH``
-      variable.::
+      variable::
 
           cmake -DOPENMC_USE_LIBMESH=on -DOPENMC_USE_MPI=on -DCMAKE_PREFIX_PATH=/path/to/libmesh/installation ..
 
@@ -371,6 +371,10 @@ CMakeLists.txt Options
 
 The following options are available in the CMakeLists.txt file:
 
+OPENMC_ENABLE_COVERAGE
+  Compile and link code instrumented for coverage analysis. This is typically
+  used in conjunction with gcov_. (Default: off)
+
 OPENMC_ENABLE_PROFILE
   Enables profiling using the GNU profiler, gprof. (Default: off)
 
@@ -385,22 +389,23 @@ OPENMC_USE_DAGMC
   should also be defined as `DAGMC_ROOT` in the CMake configuration command.
   (Default: off)
 
+OPENMC_USE_MCPL
+  Turns on support for reading MCPL_ source files and writing MCPL source points
+  and surface sources. (Default: off)
+
 OPENMC_USE_NCRYSTAL
-  Turns on support for NCrystal materials. NCrystal must be
-  `installed <https://github.com/mctools/ncrystal/wiki/Get-NCrystal>`_ and
-  `initialized <https://github.com/mctools/ncrystal/wiki/Using-NCrystal#setting-up>`_.
+  Turns on support for NCrystal materials. NCrystal must be `installed
+  <https://github.com/mctools/ncrystal/wiki/Get-NCrystal>`_ and `initialized
+  <https://github.com/mctools/ncrystal/wiki/Using-NCrystal#setting-up>`_.
   (Default: off)
 
 OPENMC_USE_LIBMESH
   Enables the use of unstructured mesh tallies with libMesh_. (Default: off)
 
-OPENMC_ENABLE_COVERAGE
-  Compile and link code instrumented for coverage analysis. This is typically
-  used in conjunction with gcov_. (Default: off)
-
 OPENMC_USE_MPI
-  Turns on compiling with MPI (default: off). For further information on MPI options,
-  please see the `FindMPI.cmake documentation <https://cmake.org/cmake/help/latest/module/FindMPI.html>`_.
+  Turns on compiling with MPI (Default: off). For further information on MPI
+  options, please see the `FindMPI.cmake documentation
+  <https://cmake.org/cmake/help/latest/module/FindMPI.html>`_.
 
 To set any of these options (e.g., turning on profiling), the following form
 should be used:

From 8a5fb8a8b067e5a333176e51f19a7b581863b339 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Sun, 26 Mar 2023 16:15:43 -0500
Subject: [PATCH 1696/2654] Update version number to 0.13.3

---
 include/openmc/version.h.in | 2 +-
 openmc/__init__.py          | 2 +-
 2 files changed, 2 insertions(+), 2 deletions(-)

diff --git a/include/openmc/version.h.in b/include/openmc/version.h.in
index e1c2b0541..a518e0d63 100644
--- a/include/openmc/version.h.in
+++ b/include/openmc/version.h.in
@@ -10,7 +10,7 @@ namespace openmc {
 constexpr int VERSION_MAJOR {@OPENMC_VERSION_MAJOR@};
 constexpr int VERSION_MINOR {@OPENMC_VERSION_MINOR@};
 constexpr int VERSION_RELEASE {@OPENMC_VERSION_RELEASE@};
-constexpr bool VERSION_DEV {true};
+constexpr bool VERSION_DEV {false};
 constexpr std::array<int, 3> VERSION {VERSION_MAJOR, VERSION_MINOR, VERSION_RELEASE};
 // clang-format on
 
diff --git a/openmc/__init__.py b/openmc/__init__.py
index cbf4d9ae2..f94cd038f 100644
--- a/openmc/__init__.py
+++ b/openmc/__init__.py
@@ -38,4 +38,4 @@ from .config import *
 from openmc.model import rectangular_prism, hexagonal_prism, Model
 
 
-__version__ = '0.13.3-dev'
+__version__ = '0.13.3'

From e7a688a867f84bc764117b1b492d172978a7fa33 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 28 Mar 2023 10:27:46 -0500
Subject: [PATCH 1697/2654] Update Spack installation instructions

---
 docs/source/usersguide/install.rst | 31 +++++++++++++-----------------
 1 file changed, 13 insertions(+), 18 deletions(-)

diff --git a/docs/source/usersguide/install.rst b/docs/source/usersguide/install.rst
index af6a93f9d..ed02c5d9f 100644
--- a/docs/source/usersguide/install.rst
+++ b/docs/source/usersguide/install.rst
@@ -105,9 +105,9 @@ other information use:
 
 .. note::
 
-    It should be noted that by default OpenMC builds with ``-O2 -g`` flags which
-    are equivalent to a CMake build type of `RelwithDebInfo`. In addition, MPI
-    is OFF while OpenMP is ON.
+    It should be noted that by default OpenMC is built with
+    `-DCMAKE_BUILD_TYPE=RelwithDebInfo`. In addition, MPI is OFF while OpenMP is
+    ON.
 
 It is recommended to install OpenMC with the Python API. Information about this
 Spack recipe can be found with the following command:
@@ -133,17 +133,18 @@ following command:
     configured defaults unless otherwise specfied in the specification on the
     command line. In the above example, assuming the default options weren't
     changed in Spack's package configuration, py-openmc will link against a
-    non-optimized non-MPI openmc. Even if an optimized openmc was built
-    separately, it will rebuild openmc with optimization OFF. Thus, if you are
-    trying to link against dependencies that were configured different than
-    defaults, ``^openmc[variants]`` will have to be present in the command.
+    non-MPI non-release build of openmc. Even if a release build of openmc was
+    built separately, it will rebuild openmc with the default build type. Thus,
+    if you are trying to link against dependencies that were configured
+    different than defaults, ``^openmc[variants]`` will have to be present in
+    the command.
 
-For a more performant build of OpenMC with optimization turned ON and MPI
-provided by OpenMPI, the following command can be used:
+For a release build of OpenMC with MPI support on (provided by OpenMPI), the
+following command can be used:
 
 .. code-block:: sh
 
-    spack install py-openmc+mpi ^openmc+optimize ^openmpi
+    spack install py-openmc +mpi ^openmpi ^openmc build_type=Release
 
 .. note::
 
@@ -163,7 +164,7 @@ This can be observed using Spack's ``spec`` tool:
 
 .. code-block::
 
-    spack spec py-openmc+mpi ^openmc+optimize
+    spack spec py-openmc +mpi ^openmc build_type=Release
 
 Once installed, environment/lmod modules can be generated or Spack's ``load``
 feature can be used to access the installed packages.
@@ -526,13 +527,7 @@ distribution/repository, run:
 pip will first check that all :ref:`required third-party packages
 <usersguide_python_prereqs>` have been installed, and if they are not present,
 they will be installed by downloading the appropriate packages from the Python
-Package Index (`PyPI <https://pypi.org/>`_). However, do note that since pip
-runs the ``setup.py`` script which requires NumPy, you will have to first
-install NumPy:
-
-.. code-block:: sh
-
-    pip install numpy
+Package Index (`PyPI <https://pypi.org/>`_).
 
 Installing in "Development" Mode
 --------------------------------

From b84a021c58623e8198cf315c6993e64e3b051613 Mon Sep 17 00:00:00 2001
From: aprilnovak <novak@berkeley.edu>
Date: Tue, 28 Mar 2023 13:50:02 -0500
Subject: [PATCH 1698/2654] Improve documentation. Refs #2442

---
 include/openmc/material.h | 5 ++++-
 1 file changed, 4 insertions(+), 1 deletion(-)

diff --git a/include/openmc/material.h b/include/openmc/material.h
index 36d7c34c6..deaee2469 100644
--- a/include/openmc/material.h
+++ b/include/openmc/material.h
@@ -90,7 +90,10 @@ public:
   void set_densities(
     const vector<std::string>& name, const vector<double>& density);
 
-  //! Clone the material by deep-copying all members
+  //! Clone the material by deep-copying all members, except for the ID,
+  //  which will get auto-assigned to the next available ID. After creating
+  //  the new material, it is added to openmc::model::materials.
+  //! \return reference to the cloned material
   Material & clone();
 
   //----------------------------------------------------------------------------

From ca061bc7e5ecad80ca074070438ebeab9b791b0b Mon Sep 17 00:00:00 2001
From: aprilnovak <novak@berkeley.edu>
Date: Tue, 28 Mar 2023 19:20:49 -0500
Subject: [PATCH 1699/2654] Return non-null.

---
 src/material.cpp | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/src/material.cpp b/src/material.cpp
index 165a5c2e7..092055aa1 100644
--- a/src/material.cpp
+++ b/src/material.cpp
@@ -379,7 +379,7 @@ Material & Material::clone()
     mat->ttb_ = std::make_unique<Bremsstrahlung>(*ttb_);
 
   model::materials.push_back(std::move(mat));
-  return *mat;
+  return *model::materials.back();
 }
 
 void Material::finalize()

From e2373c833b719a05c1c7e4b3cec261e750af1cbe Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 29 Mar 2023 06:51:01 -0500
Subject: [PATCH 1700/2654] Show MCPL and NCrystal in openmc --version

---
 src/output.cpp | 10 ++++++++++
 1 file changed, 10 insertions(+)

diff --git a/src/output.cpp b/src/output.cpp
index ae0907d02..04e15b82d 100644
--- a/src/output.cpp
+++ b/src/output.cpp
@@ -360,6 +360,8 @@ void print_build_info()
   std::string png(n);
   std::string profiling(n);
   std::string coverage(n);
+  std::string mcpl(n);
+  std::string ncrystal(n);
 
 #ifdef PHDF5
   phdf5 = y;
@@ -373,6 +375,12 @@ void print_build_info()
 #ifdef LIBMESH
   libmesh = y;
 #endif
+#ifdef OPENMC_MCPL
+  mcpl = y;
+#endif
+#ifdef NCRYSTAL
+  ncrystal = y;
+#endif
 #ifdef USE_LIBPNG
   png = y;
 #endif
@@ -396,6 +404,8 @@ void print_build_info()
     fmt::print("PNG support:           {}\n", png);
     fmt::print("DAGMC support:         {}\n", dagmc);
     fmt::print("libMesh support:       {}\n", libmesh);
+    fmt::print("MCPL support:          {}\n", mcpl);
+    fmt::print("NCrystal support:      {}\n", ncrystal);
     fmt::print("Coverage testing:      {}\n", coverage);
     fmt::print("Profiling flags:       {}\n", profiling);
   }

From c3fdf4edd2ee6dc7d9ea2a9e5c48c3d0efb670f4 Mon Sep 17 00:00:00 2001
From: aprilnovak <novak@berkeley.edu>
Date: Wed, 29 Mar 2023 14:40:37 -0500
Subject: [PATCH 1701/2654] Group openmc::model lines together. Refs #2442

---
 src/material.cpp | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/src/material.cpp b/src/material.cpp
index 092055aa1..82dd0d4d9 100644
--- a/src/material.cpp
+++ b/src/material.cpp
@@ -356,8 +356,6 @@ Material::~Material()
 Material & Material::clone()
 {
   std::unique_ptr<Material> mat = std::make_unique<Material>();
-  mat->index_ = model::materials.size();
-  mat->set_id(C_NONE);
 
   // set all other parameters to whatever the calling Material has
   mat->name_ = name_;
@@ -378,6 +376,8 @@ Material & Material::clone()
   if (ttb_)
     mat->ttb_ = std::make_unique<Bremsstrahlung>(*ttb_);
 
+  mat->index_ = model::materials.size();
+  mat->set_id(C_NONE);
   model::materials.push_back(std::move(mat));
   return *model::materials.back();
 }

From 5fcb7208dfe9316407a9598e7aff5c498f218cd6 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 29 Mar 2023 14:41:03 -0500
Subject: [PATCH 1702/2654] Change version number to 0.13.4-dev

---
 CMakeLists.txt              | 2 +-
 docs/source/conf.py         | 2 +-
 include/openmc/version.h.in | 2 +-
 openmc/__init__.py          | 2 +-
 4 files changed, 4 insertions(+), 4 deletions(-)

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 0dcaa6fb3..866050a98 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -4,7 +4,7 @@ project(openmc C CXX)
 # Set version numbers
 set(OPENMC_VERSION_MAJOR 0)
 set(OPENMC_VERSION_MINOR 13)
-set(OPENMC_VERSION_RELEASE 3)
+set(OPENMC_VERSION_RELEASE 4)
 set(OPENMC_VERSION ${OPENMC_VERSION_MAJOR}.${OPENMC_VERSION_MINOR}.${OPENMC_VERSION_RELEASE})
 configure_file(include/openmc/version.h.in "${CMAKE_BINARY_DIR}/include/openmc/version.h" @ONLY)
 
diff --git a/docs/source/conf.py b/docs/source/conf.py
index 988e626cf..8dbbfc6d4 100644
--- a/docs/source/conf.py
+++ b/docs/source/conf.py
@@ -71,7 +71,7 @@ copyright = '2011-2023, Massachusetts Institute of Technology, UChicago Argonne
 # The short X.Y version.
 version = "0.13"
 # The full version, including alpha/beta/rc tags.
-release = "0.13.3"
+release = "0.13.4"
 
 # The language for content autogenerated by Sphinx. Refer to documentation
 # for a list of supported languages.
diff --git a/include/openmc/version.h.in b/include/openmc/version.h.in
index a518e0d63..e1c2b0541 100644
--- a/include/openmc/version.h.in
+++ b/include/openmc/version.h.in
@@ -10,7 +10,7 @@ namespace openmc {
 constexpr int VERSION_MAJOR {@OPENMC_VERSION_MAJOR@};
 constexpr int VERSION_MINOR {@OPENMC_VERSION_MINOR@};
 constexpr int VERSION_RELEASE {@OPENMC_VERSION_RELEASE@};
-constexpr bool VERSION_DEV {false};
+constexpr bool VERSION_DEV {true};
 constexpr std::array<int, 3> VERSION {VERSION_MAJOR, VERSION_MINOR, VERSION_RELEASE};
 // clang-format on
 
diff --git a/openmc/__init__.py b/openmc/__init__.py
index f94cd038f..ac9e02e16 100644
--- a/openmc/__init__.py
+++ b/openmc/__init__.py
@@ -38,4 +38,4 @@ from .config import *
 from openmc.model import rectangular_prism, hexagonal_prism, Model
 
 
-__version__ = '0.13.3'
+__version__ = '0.13.4-dev'

From 9ebacff23a1d0d1a38878c40ebe8ab819c7b1b4c Mon Sep 17 00:00:00 2001
From: zoeprieto <101403129+zoeprieto@users.noreply.github.com>
Date: Wed, 29 Mar 2023 16:56:12 -0300
Subject: [PATCH 1703/2654] Update docstrings

Added description of ncrystal_cfg
---
 openmc/plotter.py | 4 ++++
 1 file changed, 4 insertions(+)

diff --git a/openmc/plotter.py b/openmc/plotter.py
index 13cd69b40..0362a8d17 100644
--- a/openmc/plotter.py
+++ b/openmc/plotter.py
@@ -240,6 +240,8 @@ def calculate_cexs(this, types, temperature=294., sab_name=None,
         Enrichment for U235 in weight percent. For example, input 4.95 for
         4.95 weight percent enriched U. Default is None
         (natural composition).
+    ncrystal_cfg : str, optional
+        Configuration string for NCrystal material.
 
     Returns
     -------
@@ -304,6 +306,8 @@ def _calculate_cexs_nuclide(this, types, temperature=294., sab_name=None,
         Name of S(a,b) library to apply to MT=2 data when applicable.
     cross_sections : str, optional
         Location of cross_sections.xml file. Default is None.
+    ncrystal_cfg : str, optional
+        Configuration string for NCrystal material.
 
     Returns
     -------

From 2172907bcfa8ac7463b67c000ac3056b1ca92ec6 Mon Sep 17 00:00:00 2001
From: Gavin Ridley <gavin.keith.ridley@gmail.com>
Date: Fri, 31 Mar 2023 13:46:42 -0400
Subject: [PATCH 1704/2654] refactor particle source import/export

---
 include/openmc/file_utils.h              |  26 +++++
 include/openmc/mcpl_interface.h          |  18 +++-
 include/openmc/message_passing.h         |  16 +++
 include/openmc/shared_array.h            |   6 ++
 include/openmc/state_point.h             |  27 ++++-
 src/mcpl_interface.cpp                   |  55 ++++------
 src/message_passing.cpp                  |  23 ++++
 src/output.cpp                           |  10 ++
 src/simulation.cpp                       |  34 ++++--
 src/source.cpp                           |   2 +-
 src/state_point.cpp                      | 128 ++++++++++-------------
 tests/cpp_unit_tests/CMakeLists.txt      |   1 +
 tests/cpp_unit_tests/test_file_utils.cpp |  28 +++++
 13 files changed, 248 insertions(+), 126 deletions(-)
 create mode 100644 tests/cpp_unit_tests/test_file_utils.cpp

diff --git a/include/openmc/file_utils.h b/include/openmc/file_utils.h
index 9612896be..5604e3230 100644
--- a/include/openmc/file_utils.h
+++ b/include/openmc/file_utils.h
@@ -1,6 +1,8 @@
 #ifndef OPENMC_FILE_UTILS_H
 #define OPENMC_FILE_UTILS_H
 
+#include <algorithm> // any_of
+#include <cctype>    // for isalpha
 #include <fstream> // for ifstream
 #include <string>
 #include <sys/stat.h>
@@ -33,6 +35,30 @@ inline bool file_exists(const std::string& filename)
   return s.good();
 }
 
+// Gets the file extension of whatever string is passed in. This is defined as
+// a sequence of strictly alphanumeric characters which follow the last period,
+// i.e. at least one alphabet character is present, and zero or more numbers.
+// If such a sequence of characters is not found, an empty string is returned.
+inline std::string get_file_extension(const std::string& filename)
+{
+  // check that at least one letter is present
+  const std::string::size_type last_period_pos = filename.find_last_of('.');
+
+  // no file extension
+  if (last_period_pos == std::string::npos)
+    return "";
+
+  const std::string ending = filename.substr(last_period_pos + 1);
+
+  // check that at least one character is present.
+  const bool has_alpha = std::any_of(ending.begin(), ending.end(),
+    [](char x) { return static_cast<bool>(std::isalpha(x)); });
+  if (has_alpha)
+    return ending;
+  else
+    return "";
+}
+
 } // namespace openmc
 
 #endif // OPENMC_FILE_UTILS_H
diff --git a/include/openmc/mcpl_interface.h b/include/openmc/mcpl_interface.h
index 64f15c13a..ec2c7ac35 100644
--- a/include/openmc/mcpl_interface.h
+++ b/include/openmc/mcpl_interface.h
@@ -4,6 +4,8 @@
 #include "openmc/particle_data.h"
 #include "openmc/vector.h"
 
+#include <gsl/gsl-lite.hpp>
+
 #include <string>
 
 namespace openmc {
@@ -26,11 +28,17 @@ vector<SourceSite> mcpl_source_sites(std::string path);
 
 //! Write an MCPL source file
 //
-//! \param[in] filename  Path to MCPL file
-//! \param[in] surf_source_bank  Whether to use the surface source bank
-void write_mcpl_source_point(
-  const char* filename, bool surf_source_bank = false);
-
+//! \param[in] filename     Path to MCPL file
+//! \param[in] source_bank  Vector of SourceSites to write to file for this
+//!                         MPI rank
+//! \param[in] bank_indx    Pointer to vector of site index ranges over all
+//!                         MPI ranks, allowed to leave this argument alone
+//!                         or pass a nullptr if not running in MPI mode.
+//!                         The option of passing a nullptr has been left
+//!                         for developers to experiment with serial code
+//!                         before writing the fully MPI-parallel version.
+void write_mcpl_source_point(const char* filename,
+  gsl::span<SourceSite> source_bank, vector<int64_t> const& bank_index);
 } // namespace openmc
 
 #endif // OPENMC_MCPL_INTERFACE_H
diff --git a/include/openmc/message_passing.h b/include/openmc/message_passing.h
index b02d2938f..abd6f68b0 100644
--- a/include/openmc/message_passing.h
+++ b/include/openmc/message_passing.h
@@ -1,10 +1,14 @@
 #ifndef OPENMC_MESSAGE_PASSING_H
 #define OPENMC_MESSAGE_PASSING_H
 
+#include <cstdint>
+
 #ifdef OPENMC_MPI
 #include <mpi.h>
 #endif
 
+#include "openmc/vector.h"
+
 namespace openmc {
 namespace mpi {
 
@@ -17,6 +21,18 @@ extern MPI_Datatype source_site;
 extern MPI_Comm intracomm;
 #endif
 
+// Calculates global indices of the bank particles
+// across all ranks using a parallel scan. This is used to write
+// the surface source file in parallel runs. It will probably
+// be used in the future for other types of bank like particles
+// in flight used to kick off transient simulations.
+//
+// More abstractly, this just takes a number from each MPI rank,
+// and returns a vector which is the exclusive parallel scan across
+// all of those numbers, having a length of the number of MPI ranks
+// plus one.
+vector<int64_t> calculate_parallel_index_vector(const int64_t size);
+
 } // namespace mpi
 } // namespace openmc
 
diff --git a/include/openmc/shared_array.h b/include/openmc/shared_array.h
index 6fee29b82..676481296 100644
--- a/include/openmc/shared_array.h
+++ b/include/openmc/shared_array.h
@@ -115,6 +115,12 @@ public:
   T* data() { return data_.get(); }
   const T* data() const { return data_.get(); }
 
+  //! Classic iterators
+  T* begin() { return data_.get(); }
+  const T* cbegin() const { return data_.get(); }
+  T* end() { return data_.get() + size_; }
+  const T* cend() const { return data_.get() + size_; }
+
 private:
   //==========================================================================
   // Data members
diff --git a/include/openmc/state_point.h b/include/openmc/state_point.h
index 5ada2bf88..ca4b293eb 100644
--- a/include/openmc/state_point.h
+++ b/include/openmc/state_point.h
@@ -3,18 +3,39 @@
 
 #include <cstdint>
 
+#include <gsl/gsl-lite.hpp>
+
 #include "hdf5.h"
 
 #include "openmc/capi.h"
 #include "openmc/particle.h"
+#include "openmc/shared_array.h"
 #include "openmc/vector.h"
 
 namespace openmc {
 
 void load_state_point();
-vector<int64_t> calculate_surf_source_size();
-void write_source_point(const char* filename, bool surf_source_bank = false);
-void write_source_bank(hid_t group_id, bool surf_source_bank);
+
+// By passing in a filename, source bank, and list of source indices
+// on each MPI rank, this writes an HDF5 file which contains that
+// information which can later be read in by read_source_bank
+// (defined below). If you're writing code to write out a new kind
+// of particle bank, this function is the one you want to use!
+//
+// For example, this is used to write both the surface source sites
+// or fission source sites for eigenvalue continuation runs.
+//
+// This function ends up calling write_source_bank, and is responsible
+// for opening the file to be written to and controlling whether the
+// write is done in parallel (if compiled with parallel HDF5).
+void write_source_point(const char* filename, gsl::span<SourceSite> source_bank,
+  vector<int64_t> const& bank_index);
+
+// This appends a source bank specification to an HDF5 file
+// that's already open. It is used internally by write_source_point.
+void write_source_bank(hid_t group_id, gsl::span<SourceSite> source_bank,
+  vector<int64_t> const& bank_index);
+
 void read_source_bank(
   hid_t group_id, vector<SourceSite>& sites, bool distribute);
 void write_tally_results_nr(hid_t file_id);
diff --git a/src/mcpl_interface.cpp b/src/mcpl_interface.cpp
index a38891478..b64531eed 100644
--- a/src/mcpl_interface.cpp
+++ b/src/mcpl_interface.cpp
@@ -2,6 +2,7 @@
 
 #include "openmc/bank.h"
 #include "openmc/error.h"
+#include "openmc/file_utils.h"
 #include "openmc/message_passing.h"
 #include "openmc/settings.h"
 #include "openmc/simulation.h"
@@ -110,37 +111,18 @@ vector<SourceSite> mcpl_source_sites(std::string path)
 //==============================================================================
 
 #ifdef OPENMC_MCPL
-void write_mcpl_source_bank(mcpl_outfile_t file_id, bool surf_source_bank)
+void write_mcpl_source_bank(mcpl_outfile_t file_id,
+  gsl::span<SourceSite> source_bank, vector<int64_t> const& bank_index)
 {
   int64_t dims_size = settings::n_particles;
   int64_t count_size = simulation::work_per_rank;
 
-  // Set vectors for source bank and starting bank index of each process
-  vector<int64_t>* bank_index = &simulation::work_index;
-  vector<SourceSite>* source_bank = &simulation::source_bank;
-  vector<int64_t> surf_source_index_vector;
-  vector<SourceSite> surf_source_bank_vector;
-
-  if (surf_source_bank) {
-    surf_source_index_vector = calculate_surf_source_size();
-    dims_size = surf_source_index_vector[mpi::n_procs];
-    count_size = simulation::surf_source_bank.size();
-
-    bank_index = &surf_source_index_vector;
-
-    // Copy data in a SharedArray into a vector.
-    surf_source_bank_vector.resize(count_size);
-    surf_source_bank_vector.assign(simulation::surf_source_bank.data(),
-      simulation::surf_source_bank.data() + count_size);
-    source_bank = &surf_source_bank_vector;
-  }
-
   if (mpi::master) {
     // Particles are writeen to disk from the master node only
 
     // Save source bank sites since the array is overwritten below
 #ifdef OPENMC_MPI
-    vector<SourceSite> temp_source {source_bank->begin(), source_bank->end()};
+    vector<SourceSite> temp_source {source_bank.begin(), source_bank.end()};
 #endif
 
     // loop over the other nodes and receive data - then write those.
@@ -151,11 +133,11 @@ void write_mcpl_source_bank(mcpl_outfile_t file_id, bool surf_source_bank)
 
 #ifdef OPENMC_MPI
       if (i > 0)
-        MPI_Recv(source_bank->data(), count[0], mpi::source_site, i, i,
+        MPI_Recv(source_bank.data(), count[0], mpi::source_site, i, i,
           mpi::intracomm, MPI_STATUS_IGNORE);
 #endif
       // now write the source_bank data again.
-      for (const auto& site : *source_bank) {
+      for (const auto& site : source_bank) {
         // particle is now at the iterator
         // write it to the mcpl-file
         mcpl_particle_t p;
@@ -194,11 +176,11 @@ void write_mcpl_source_bank(mcpl_outfile_t file_id, bool surf_source_bank)
     }
 #ifdef OPENMC_MPI
     // Restore state of source bank
-    std::copy(temp_source.begin(), temp_source.end(), source_bank->begin());
+    std::copy(temp_source.begin(), temp_source.end(), source_bank.begin());
 #endif
   } else {
 #ifdef OPENMC_MPI
-    MPI_Send(source_bank->data(), count_size, mpi::source_site, 0, mpi::rank,
+    MPI_Send(source_bank.data(), count_size, mpi::source_site, 0, mpi::rank,
       mpi::intracomm);
 #endif
   }
@@ -207,17 +189,16 @@ void write_mcpl_source_bank(mcpl_outfile_t file_id, bool surf_source_bank)
 
 //==============================================================================
 
-void write_mcpl_source_point(const char* filename, bool surf_source_bank)
+void write_mcpl_source_point(const char* filename,
+  gsl::span<SourceSite> source_bank, vector<int64_t> const& bank_index)
 {
-  std::string filename_;
-  if (filename) {
-    filename_ = filename;
-  } else {
-    // Determine width for zero padding
-    int w = std::to_string(settings::n_max_batches).size();
-
-    filename_ = fmt::format("{0}source.{1:0{2}}.mcpl", settings::path_output,
-      simulation::current_batch, w);
+  std::string filename_(filename);
+  const auto extension = get_file_extension(filename_);
+  if (extension == "") {
+    filename_.append(".mcpl");
+  } else if (extension != "mcpl") {
+    fatal_error("write_mcpl_source_point was passed an incorrect file "
+                "extension. Must either pass nothing or .mcpl");
   }
 
 #ifdef OPENMC_MCPL
@@ -236,7 +217,7 @@ void write_mcpl_source_point(const char* filename, bool surf_source_bank)
     mcpl_hdr_set_srcname(file_id, line.c_str());
   }
 
-  write_mcpl_source_bank(file_id, surf_source_bank);
+  write_mcpl_source_bank(file_id, source_bank, bank_index);
 
   if (mpi::master) {
     mcpl_close_outfile(file_id);
diff --git a/src/message_passing.cpp b/src/message_passing.cpp
index f87782083..fa9036c71 100644
--- a/src/message_passing.cpp
+++ b/src/message_passing.cpp
@@ -17,6 +17,29 @@ extern "C" bool openmc_master()
   return mpi::master;
 }
 
+vector<int64_t> calculate_parallel_index_vector(const int64_t size)
+{
+  vector<int64_t> result;
+  result.reserve(n_procs + 1);
+
+#ifdef OPENMC_MPI
+  result.resize(n_procs);
+  vector<int64_t> bank_size(n_procs);
+
+  // Populate the result with cumulative sum of the number of
+  // surface source banks per process
+  MPI_Scan(&size, bank_size.data(), 1, MPI_INT64_T, MPI_SUM, intracomm);
+  MPI_Allgather(
+    bank_size.data(), 1, MPI_INT64_T, result.data(), 1, MPI_INT64_T, intracomm);
+  result.insert(result.begin(), 0);
+#else
+  result.push_back(0);
+  result.push_back(size);
+#endif
+
+  return result;
+}
+
 } // namespace mpi
 
 } // namespace openmc
diff --git a/src/output.cpp b/src/output.cpp
index ae0907d02..53f5b647f 100644
--- a/src/output.cpp
+++ b/src/output.cpp
@@ -360,6 +360,8 @@ void print_build_info()
   std::string png(n);
   std::string profiling(n);
   std::string coverage(n);
+  std::string mcpl(n);
+  std::string ncrystal(n);
 
 #ifdef PHDF5
   phdf5 = y;
@@ -382,6 +384,12 @@ void print_build_info()
 #ifdef COVERAGEBUILD
   coverage = y;
 #endif
+#ifdef NCRYSTAL
+  ncrystal = y;
+#endif
+#ifdef OPENMC_MCPL
+  mcpl = y;
+#endif
 
   // Wraps macro variables in quotes
 #define STRINGIFY(x) STRINGIFY2(x)
@@ -396,6 +404,8 @@ void print_build_info()
     fmt::print("PNG support:           {}\n", png);
     fmt::print("DAGMC support:         {}\n", dagmc);
     fmt::print("libMesh support:       {}\n", libmesh);
+    fmt::print("NCrystal support:      {}\n", profiling);
+    fmt::print("MCPL support:          {}\n", profiling);
     fmt::print("Coverage testing:      {}\n", coverage);
     fmt::print("Profiling flags:       {}\n", profiling);
   }
diff --git a/src/simulation.cpp b/src/simulation.cpp
index 7740c81d8..d46787c28 100644
--- a/src/simulation.cpp
+++ b/src/simulation.cpp
@@ -392,21 +392,32 @@ void finalize_batch()
     // Write out a separate source point if it's been specified for this batch
     if (contains(settings::sourcepoint_batch, simulation::current_batch) &&
         settings::source_write && settings::source_separate) {
+
+      // Determine width for zero padding
+      int w = std::to_string(settings::n_max_batches).size();
+      std::string source_point_filename = fmt::format("{0}source.{1:0{2}}",
+        settings::path_output, simulation::current_batch, w);
+      gsl::span<SourceSite> bankspan(simulation::source_bank);
       if (settings::source_mcpl_write) {
-        write_mcpl_source_point(nullptr);
+        write_mcpl_source_point(
+          source_point_filename.c_str(), bankspan, simulation::work_index);
       } else {
-        write_source_point(nullptr);
+        write_source_point(
+          source_point_filename.c_str(), bankspan, simulation::work_index);
       }
     }
 
     // Write a continously-overwritten source point if requested.
     if (settings::source_latest) {
+
+      // note: correct file extension appended automatically
+      auto filename = settings::path_output + "source";
+      gsl::span<SourceSite> bankspan(simulation::source_bank);
       if (settings::source_mcpl_write) {
-        auto filename = settings::path_output + "source.mcpl";
-        write_mcpl_source_point(filename.c_str());
+        write_mcpl_source_point(
+          filename.c_str(), bankspan, simulation::work_index);
       } else {
-        auto filename = settings::path_output + "source.h5";
-        write_source_point(filename.c_str());
+        write_source_point(filename.c_str(), bankspan, simulation::work_index);
       }
     }
   }
@@ -414,12 +425,15 @@ void finalize_batch()
   // Write out surface source if requested.
   if (settings::surf_source_write &&
       simulation::current_batch == settings::n_batches) {
+    auto filename = settings::path_output + "surface_source";
+    auto surf_work_index =
+      mpi::calculate_parallel_index_vector(simulation::surf_source_bank.size());
+    gsl::span<SourceSite> surfbankspan(simulation::surf_source_bank.begin(),
+      simulation::surf_source_bank.size());
     if (settings::surf_mcpl_write) {
-      auto filename = settings::path_output + "surface_source.mcpl";
-      write_mcpl_source_point(filename.c_str(), true);
+      write_mcpl_source_point(filename.c_str(), surfbankspan, surf_work_index);
     } else {
-      auto filename = settings::path_output + "surface_source.h5";
-      write_source_point(filename.c_str(), true);
+      write_source_point(filename.c_str(), surfbankspan, surf_work_index);
     }
   }
 }
diff --git a/src/source.cpp b/src/source.cpp
index 5862a41e2..163c85676 100644
--- a/src/source.cpp
+++ b/src/source.cpp
@@ -403,7 +403,7 @@ void initialize_source()
     write_message("Writing out initial source...", 5);
     std::string filename = settings::path_output + "initial_source.h5";
     hid_t file_id = file_open(filename, 'w', true);
-    write_source_bank(file_id, false);
+    write_source_bank(file_id, simulation::source_bank, simulation::work_index);
     file_close(file_id);
   }
 }
diff --git a/src/state_point.cpp b/src/state_point.cpp
index dfd3d381b..10bcd9365 100644
--- a/src/state_point.cpp
+++ b/src/state_point.cpp
@@ -13,6 +13,7 @@
 #include "openmc/constants.h"
 #include "openmc/eigenvalue.h"
 #include "openmc/error.h"
+#include "openmc/file_utils.h"
 #include "openmc/hdf5_interface.h"
 #include "openmc/mesh.h"
 #include "openmc/message_passing.h"
@@ -34,7 +35,8 @@ extern "C" int openmc_statepoint_write(const char* filename, bool* write_source)
 {
   simulation::time_statepoint.start();
 
-  // Set the filename
+  // If a nullptr is passed in, we assume that the user
+  // wants a default name for this, of the form like output/statepoint.20.h5
   std::string filename_;
   if (filename) {
     filename_ = filename;
@@ -47,6 +49,15 @@ extern "C" int openmc_statepoint_write(const char* filename, bool* write_source)
       simulation::current_batch, w);
   }
 
+  // If a file name was specified, ensure it has .h5 file extension
+  const auto extension = get_file_extension(filename_);
+  if (extension == "") {
+    filename_.append(".h5");
+  } else if (extension != "h5") {
+    fatal_error("openmc_statepoint_write was passed an incorrect file "
+                "extension. Must either have no file extension or .h5");
+  }
+
   // Determine whether or not to write the source bank
   bool write_source_ = write_source ? *write_source : true;
 
@@ -316,7 +327,7 @@ extern "C" int openmc_statepoint_write(const char* filename, bool* write_source)
   if (write_source_) {
     if (mpi::master || parallel)
       file_id = file_open(filename_, 'a', true);
-    write_source_bank(file_id, false);
+    write_source_bank(file_id, simulation::source_bank, simulation::work_index);
     if (mpi::master || parallel)
       file_close(file_id);
   }
@@ -541,31 +552,8 @@ hid_t h5banktype()
   return banktype;
 }
 
-vector<int64_t> calculate_surf_source_size()
-{
-  vector<int64_t> surf_source_index;
-  surf_source_index.reserve(mpi::n_procs + 1);
-
-#ifdef OPENMC_MPI
-  surf_source_index.resize(mpi::n_procs);
-  vector<int64_t> bank_size(mpi::n_procs);
-
-  // Populate the surf_source_index with cumulative sum of the number of
-  // surface source banks per process
-  int64_t size = simulation::surf_source_bank.size();
-  MPI_Scan(&size, bank_size.data(), 1, MPI_INT64_T, MPI_SUM, mpi::intracomm);
-  MPI_Allgather(bank_size.data(), 1, MPI_INT64_T, surf_source_index.data(), 1,
-    MPI_INT64_T, mpi::intracomm);
-  surf_source_index.insert(surf_source_index.begin(), 0);
-#else
-  surf_source_index.push_back(0);
-  surf_source_index.push_back(simulation::surf_source_bank.size());
-#endif
-
-  return surf_source_index;
-}
-
-void write_source_point(const char* filename, bool surf_source_bank)
+void write_source_point(const char* filename, gsl::span<SourceSite> source_bank,
+  vector<int64_t> const& bank_index)
 {
   // When using parallel HDF5, the file is written to collectively by all
   // processes. With MPI-only, the file is opened and written by the master
@@ -577,58 +565,59 @@ void write_source_point(const char* filename, bool surf_source_bank)
   bool parallel = false;
 #endif
 
-  std::string filename_;
-  if (filename) {
-    filename_ = filename;
-  } else {
-    // Determine width for zero padding
-    int w = std::to_string(settings::n_max_batches).size();
+  if (!filename)
+    fatal_error("write_source_point filename needs a nonempty name.");
 
-    filename_ = fmt::format("{0}source.{1:0{2}}.h5", settings::path_output,
-      simulation::current_batch, w);
+  std::string filename_(filename);
+  const auto extension = get_file_extension(filename_);
+  if (extension == "") {
+    filename_.append(".h5");
+  } else if (extension != "h5") {
+    fatal_error("openmc_source_point was passed an incorrect file "
+                "extension. Must either have no file extension or .h5");
   }
 
   hid_t file_id;
   if (mpi::master || parallel) {
-    file_id = file_open(filename_, 'w', true);
+    file_id = file_open(filename_.c_str(), 'w', true);
     write_attribute(file_id, "filetype", "source");
   }
 
   // Get pointer to source bank and write to file
-  write_source_bank(file_id, surf_source_bank);
+  write_source_bank(file_id, source_bank, bank_index);
 
   if (mpi::master || parallel)
     file_close(file_id);
 }
 
-void write_source_bank(hid_t group_id, bool surf_source_bank)
+void write_source_bank(hid_t group_id, gsl::span<SourceSite> source_bank,
+  vector<int64_t> const& bank_index)
 {
   hid_t banktype = h5banktype();
 
   // Set total and individual process dataspace sizes for source bank
-  int64_t dims_size = settings::n_particles;
-  int64_t count_size = simulation::work_per_rank;
+  // TODO: are these correct?
+  // the old code was
+  //
+  // int64_t dims_size = settings::n_particles;
+  // int64_t count_size = simulation::work_per_rank;
+  //
+  // but that doesn't make sense! The count on a rank is not
+  // necessarily equal to work_per_rank. For the case of the
+  // fission source bank, that's true, but for surface source
+  // creation, there may be a different number of particles
+  // on each rank.
+  //
+  // Hence, I have changed count_size to be the number
+  // on this rank rather than work_per_rank. Similarly,
+  // dims_size used to be n_particles, but for surface sources,
+  // we are not guaranteed to create n_particles at the surface.
+  // As a result, I've changed this to be the total size of
+  // the bank across all ranks, which maintains the correct
+  // behavior for fission bank outputs.
 
-  // Set vectors for source bank and starting bank index of each process
-  vector<int64_t>* bank_index = &simulation::work_index;
-  vector<SourceSite>* source_bank = &simulation::source_bank;
-  vector<int64_t> surf_source_index_vector;
-  vector<SourceSite> surf_source_bank_vector;
-
-  // Reset dataspace sizes and vectors for surface source bank
-  if (surf_source_bank) {
-    surf_source_index_vector = calculate_surf_source_size();
-    dims_size = surf_source_index_vector[mpi::n_procs];
-    count_size = simulation::surf_source_bank.size();
-
-    bank_index = &surf_source_index_vector;
-
-    // Copy data in a SharedArray into a vector.
-    surf_source_bank_vector.resize(count_size);
-    surf_source_bank_vector.assign(simulation::surf_source_bank.data(),
-      simulation::surf_source_bank.data() + count_size);
-    source_bank = &surf_source_bank_vector;
-  }
+  int64_t dims_size = bank_index.back();
+  int64_t count_size = bank_index[mpi::rank + 1] - bank_index[mpi::rank];
 
 #ifdef PHDF5
   // Set size of total dataspace for all procs and rank
@@ -642,7 +631,7 @@ void write_source_bank(hid_t group_id, bool surf_source_bank)
   hid_t memspace = H5Screate_simple(1, count, nullptr);
 
   // Select hyperslab for this dataspace
-  hsize_t start[] {static_cast<hsize_t>((*bank_index)[mpi::rank])};
+  hsize_t start[] {static_cast<hsize_t>(bank_index[mpi::rank])};
   H5Sselect_hyperslab(dspace, H5S_SELECT_SET, start, nullptr, count, nullptr);
 
   // Set up the property list for parallel writing
@@ -650,7 +639,7 @@ void write_source_bank(hid_t group_id, bool surf_source_bank)
   H5Pset_dxpl_mpio(plist, H5FD_MPIO_COLLECTIVE);
 
   // Write data to file in parallel
-  H5Dwrite(dset, banktype, memspace, dspace, plist, source_bank->data());
+  H5Dwrite(dset, banktype, memspace, dspace, plist, source_bank.data());
 
   // Free resources
   H5Sclose(dspace);
@@ -669,31 +658,30 @@ void write_source_bank(hid_t group_id, bool surf_source_bank)
 
     // Save source bank sites since the array is overwritten below
 #ifdef OPENMC_MPI
-    vector<SourceSite> temp_source {source_bank->begin(), source_bank->end()};
+    vector<SourceSite> temp_source {source_bank.begin(), source_bank.end()};
 #endif
 
     for (int i = 0; i < mpi::n_procs; ++i) {
       // Create memory space
-      hsize_t count[] {
-        static_cast<hsize_t>((*bank_index)[i + 1] - (*bank_index)[i])};
+      hsize_t count[] {static_cast<hsize_t>(bank_index[i + 1] - bank_index[i])};
       hid_t memspace = H5Screate_simple(1, count, nullptr);
 
 #ifdef OPENMC_MPI
       // Receive source sites from other processes
       if (i > 0)
-        MPI_Recv(source_bank->data(), count[0], mpi::source_site, i, i,
+        MPI_Recv(source_bank.data(), count[0], mpi::source_site, i, i,
           mpi::intracomm, MPI_STATUS_IGNORE);
 #endif
 
       // Select hyperslab for this dataspace
       dspace = H5Dget_space(dset);
-      hsize_t start[] {static_cast<hsize_t>((*bank_index)[i])};
+      hsize_t start[] {static_cast<hsize_t>(bank_index[i])};
       H5Sselect_hyperslab(
         dspace, H5S_SELECT_SET, start, nullptr, count, nullptr);
 
       // Write data to hyperslab
       H5Dwrite(
-        dset, banktype, memspace, dspace, H5P_DEFAULT, (*source_bank).data());
+        dset, banktype, memspace, dspace, H5P_DEFAULT, source_bank.data());
 
       H5Sclose(memspace);
       H5Sclose(dspace);
@@ -704,11 +692,11 @@ void write_source_bank(hid_t group_id, bool surf_source_bank)
 
 #ifdef OPENMC_MPI
     // Restore state of source bank
-    std::copy(temp_source.begin(), temp_source.end(), source_bank->begin());
+    std::copy(temp_source.begin(), temp_source.end(), source_bank.begin());
 #endif
   } else {
 #ifdef OPENMC_MPI
-    MPI_Send(source_bank->data(), count_size, mpi::source_site, 0, mpi::rank,
+    MPI_Send(source_bank.data(), count_size, mpi::source_site, 0, mpi::rank,
       mpi::intracomm);
 #endif
   }
diff --git a/tests/cpp_unit_tests/CMakeLists.txt b/tests/cpp_unit_tests/CMakeLists.txt
index 3d48545b4..e017b8700 100644
--- a/tests/cpp_unit_tests/CMakeLists.txt
+++ b/tests/cpp_unit_tests/CMakeLists.txt
@@ -1,5 +1,6 @@
 set(TEST_NAMES
   test_distribution
+  test_file_utils
   # Add additional unit test files here
 )
 
diff --git a/tests/cpp_unit_tests/test_file_utils.cpp b/tests/cpp_unit_tests/test_file_utils.cpp
new file mode 100644
index 000000000..23222f639
--- /dev/null
+++ b/tests/cpp_unit_tests/test_file_utils.cpp
@@ -0,0 +1,28 @@
+#include "openmc/file_utils.h"
+#include <catch2/catch_test_macros.hpp>
+
+using namespace openmc;
+
+TEST_CASE("Test get_file_extension")
+{
+  REQUIRE(get_file_extension("rememberthealamo.png") == "png");
+  REQUIRE(get_file_extension("statepoint.20.h5") == "h5");
+  REQUIRE(get_file_extension("wEiRDNaa_ame.h4") == "h4");
+  REQUIRE(get_file_extension("has_directory/asdf.20.h5") == "h5");
+  REQUIRE(get_file_extension("wasssssup_lol") == "");
+  REQUIRE(get_file_extension("has_directory/secret_file") == "");
+}
+
+TEST_CASE("Test dir_exists")
+{
+  // not sure how to test this when running on windows?
+  REQUIRE(dir_exists("/"));
+
+  // if this exists on your system... you deserve for this test to fail
+  REQUIRE(!dir_exists("/asdfa/asdfasdf/asdgasodgosuihasjkgh/"));
+}
+
+TEST_CASE("Test file_exists")
+{
+  // TODO make a file test it exists, delete it
+}

From 30ed6020092768b2dd208e5343c399c2eac13d64 Mon Sep 17 00:00:00 2001
From: Gavin Ridley <gavin.keith.ridley@gmail.com>
Date: Fri, 31 Mar 2023 23:59:04 -0400
Subject: [PATCH 1705/2654] update documentation

---
 include/openmc/mcpl_interface.h | 8 +++-----
 include/openmc/state_point.h    | 5 +++++
 2 files changed, 8 insertions(+), 5 deletions(-)

diff --git a/include/openmc/mcpl_interface.h b/include/openmc/mcpl_interface.h
index ec2c7ac35..1f0c94d6d 100644
--- a/include/openmc/mcpl_interface.h
+++ b/include/openmc/mcpl_interface.h
@@ -32,11 +32,9 @@ vector<SourceSite> mcpl_source_sites(std::string path);
 //! \param[in] source_bank  Vector of SourceSites to write to file for this
 //!                         MPI rank
 //! \param[in] bank_indx    Pointer to vector of site index ranges over all
-//!                         MPI ranks, allowed to leave this argument alone
-//!                         or pass a nullptr if not running in MPI mode.
-//!                         The option of passing a nullptr has been left
-//!                         for developers to experiment with serial code
-//!                         before writing the fully MPI-parallel version.
+//!                         MPI ranks. This can be computed by calling
+//!                         calculate_parallel_index_vector on
+//!                         source_bank.size().
 void write_mcpl_source_point(const char* filename,
   gsl::span<SourceSite> source_bank, vector<int64_t> const& bank_index);
 } // namespace openmc
diff --git a/include/openmc/state_point.h b/include/openmc/state_point.h
index ca4b293eb..db1ac2edb 100644
--- a/include/openmc/state_point.h
+++ b/include/openmc/state_point.h
@@ -28,6 +28,11 @@ void load_state_point();
 // This function ends up calling write_source_bank, and is responsible
 // for opening the file to be written to and controlling whether the
 // write is done in parallel (if compiled with parallel HDF5).
+//
+// bank_index is an exclusive parallel scan of the source_bank.size()
+// values on each rank, used to create global indexing. This vector
+// can be created by calling calculate_parallel_index_vector on
+// source_bank.size() if such a vector is not already available.
 void write_source_point(const char* filename, gsl::span<SourceSite> source_bank,
   vector<int64_t> const& bank_index);
 

From 5a8e1cc988b7d6e7204aa45675ca31316e94988e Mon Sep 17 00:00:00 2001
From: Gavin Ridley <gavin.keith.ridley@gmail.com>
Date: Sat, 1 Apr 2023 00:22:50 -0400
Subject: [PATCH 1706/2654] fix typo

---
 src/mcpl_interface.cpp | 3 +--
 1 file changed, 1 insertion(+), 2 deletions(-)

diff --git a/src/mcpl_interface.cpp b/src/mcpl_interface.cpp
index b64531eed..64d6046e3 100644
--- a/src/mcpl_interface.cpp
+++ b/src/mcpl_interface.cpp
@@ -128,8 +128,7 @@ void write_mcpl_source_bank(mcpl_outfile_t file_id,
     // loop over the other nodes and receive data - then write those.
     for (int i = 0; i < mpi::n_procs; ++i) {
       // number of particles for node node i
-      size_t count[] {
-        static_cast<size_t>((*bank_index)[i + 1] - (*bank_index)[i])};
+      size_t count[] {static_cast<size_t>(bank_index[i + 1] - bank_index[i])};
 
 #ifdef OPENMC_MPI
       if (i > 0)

From 95e3f94630f017decf7d5ebc9cd4bcdfd6fb5875 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 4 Apr 2023 22:49:11 +0200
Subject: [PATCH 1707/2654] Implement CruciformPrism composite surface

---
 docs/source/pythonapi/model.rst            |  3 +-
 openmc/model/surface_composite.py          | 74 +++++++++++++++++++++-
 tests/unit_tests/test_surface_composite.py | 62 ++++++++++++++++++
 3 files changed, 137 insertions(+), 2 deletions(-)

diff --git a/docs/source/pythonapi/model.rst b/docs/source/pythonapi/model.rst
index cdabee396..c9c6e117a 100644
--- a/docs/source/pythonapi/model.rst
+++ b/docs/source/pythonapi/model.rst
@@ -24,14 +24,15 @@ Composite Surfaces
    :nosignatures:
    :template: myclass.rst
 
+   openmc.model.CruciformPrism
    openmc.model.CylinderSector
    openmc.model.IsogonalOctagon
+   openmc.model.Polygon
    openmc.model.RectangularParallelepiped
    openmc.model.RightCircularCylinder
    openmc.model.XConeOneSided
    openmc.model.YConeOneSided
    openmc.model.ZConeOneSided
-   openmc.model.Polygon
 
 TRISO Fuel Modeling
 -------------------
diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index 25826723c..6acfdde4a 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -630,7 +630,7 @@ class ZConeOneSided(CompositeSurface):
 
 
 class Polygon(CompositeSurface):
-    """Create a polygon composite surface from a path of closed points.
+    """Polygon formed from a path of closed points.
 
     .. versionadded:: 0.13.3
 
@@ -1079,3 +1079,75 @@ class Polygon(CompositeSurface):
         disp_vec = distance / costheta * unit_nvec
 
         return type(self)(self.points + disp_vec, basis=self.basis)
+
+
+class CruciformPrism(CompositeSurface):
+    """Generalized cruciform prism
+
+    This surface represents a prism parallel to an axis formed by planes at
+    multiple distances from the center. Equivalent to the 'gcross' derived
+    surface in Serpent.
+
+    .. versionadded:: 0.13.4
+
+    Parameters
+    ----------
+    distances : iterable of float
+        A monotonically increasing (or decreasing) iterable of distances in [cm]
+        that form the planes of the generalized cruciform.
+    center : iterable of float
+        The center of the prism in the two non-parallel axes (e.g., (x, y) when
+        axis is 'z') in [cm]
+    axis : {'x', 'y', 'z'}
+        Axis to which the prism is parallel
+    **kwargs
+        Keyword arguments passed to underlying plane classes
+
+    """
+
+    def __init__(self, distances, center=(0., 0.), axis='z', **kwargs):
+        x0, y0 = center
+        self.distances = distances
+
+        if axis == 'x':
+            cls_horizontal = openmc.YPlane
+            cls_vertical = openmc.ZPlane
+        elif axis == 'y':
+            cls_horizontal = openmc.XPlane
+            cls_vertical = openmc.ZPlane
+        elif axis == 'z':
+            cls_horizontal = openmc.XPlane
+            cls_vertical = openmc.YPlane
+        else:
+            raise ValueError("axis must be 'x', 'y', or 'z'")
+
+        # Create each planar surface
+        surfnames = []
+        for i, d in enumerate(distances):
+            setattr(self, f'hmin{i}', cls_horizontal(x0 - d, **kwargs))
+            setattr(self, f'hmax{i}', cls_horizontal(x0 + d, **kwargs))
+            setattr(self, f'vmin{i}', cls_vertical(y0 - d, **kwargs))
+            setattr(self, f'vmax{i}', cls_vertical(y0 + d, **kwargs))
+            surfnames.extend([f'hmin{i}', f'hmax{i}', f'vmin{i}', f'vmax{i}'])
+
+        # Set _surfnames to satisfy CompositeSurface protocol
+        self._surfnames = tuple(surfnames)
+
+    @property
+    def _surface_names(self):
+        return self._surfnames
+
+    def __neg__(self):
+        n = len(self.distances)
+        regions = []
+        for i in range(n):
+            regions.append(
+                +getattr(self, f'hmin{i}') &
+                -getattr(self, f'hmax{i}') &
+                +getattr(self, f'vmin{n-1-i}') &
+                -getattr(self, f'vmax{n-1-i}')
+            )
+        return openmc.Union(regions)
+
+    def __pos__(self):
+        return ~(-self)
diff --git a/tests/unit_tests/test_surface_composite.py b/tests/unit_tests/test_surface_composite.py
index 3f94893ed..066dd3307 100644
--- a/tests/unit_tests/test_surface_composite.py
+++ b/tests/unit_tests/test_surface_composite.py
@@ -315,6 +315,7 @@ def test_isogonal_octagon(axis, plane_tb, plane_lr, axis_idx):
     # Make sure repr works
     repr(s)
 
+
 def test_polygon():
     # define a 5 pointed star centered on 1, 1
     star = np.array([[1.        , 2.        ],
@@ -393,3 +394,64 @@ def test_polygon():
                           [6.88, 3.02]])
     with pytest.raises(ValueError):
         openmc.model.Polygon(rz_points)
+
+
+@pytest.mark.parametrize("axis", ["x", "y", "z"])
+def test_cruciform_prism(axis):
+    center = x0, y0 = (3., 4.)
+    distances = [2., 3., 5.]
+    s = openmc.model.CruciformPrism(distances, center, axis=axis)
+
+    if axis == 'x':
+        i1, i2 = 1, 2
+    elif axis == 'y':
+        i1, i2 = 0, 2
+    elif axis == 'z':
+        i1, i2 = 0, 1
+    plane_cls = (openmc.XPlane, openmc.YPlane, openmc.ZPlane)
+
+    # Check type of surfaces
+    for i in range(3):
+        assert isinstance(getattr(s, f'hmin{i}'), plane_cls[i1])
+        assert isinstance(getattr(s, f'hmax{i}'), plane_cls[i1])
+        assert isinstance(getattr(s, f'vmin{i}'), plane_cls[i2])
+        assert isinstance(getattr(s, f'vmax{i}'), plane_cls[i2])
+
+    # Make sure boundary condition propagates
+    s.boundary_type = 'reflective'
+    for i in range(3):
+        assert getattr(s, f'hmin{i}').boundary_type == 'reflective'
+        assert getattr(s, f'hmax{i}').boundary_type == 'reflective'
+        assert getattr(s, f'vmin{i}').boundary_type == 'reflective'
+        assert getattr(s, f'vmax{i}').boundary_type == 'reflective'
+
+    # Check bounding box
+    ll, ur = (+s).bounding_box
+    assert np.all(np.isinf(ll))
+    assert np.all(np.isinf(ur))
+    ll, ur = (-s).bounding_box
+    assert ur[i1] == pytest.approx(x0 + distances[-1])
+    assert ur[i2] == pytest.approx(y0 + distances[-1])
+    assert ll[i1] == pytest.approx(x0 - distances[-1])
+    assert ll[i2] == pytest.approx(y0 - distances[-1])
+
+    # __contains__ on associated half-spaces
+    point_pos, point_neg = np.zeros(3), np.zeros(3)
+    point_pos[i1] = x0 + 3.1
+    point_pos[i2] = y0 + 2.05
+    point_neg[i1] = x0 + 3.5
+    point_neg[i2] = y0 + 1.99
+    assert point_pos in +s
+    assert point_pos not in -s
+    assert point_neg in -s
+    assert point_neg not in +s
+
+    # translate method
+    t = uniform(-5.0, 5.0)
+    s_t = s.translate((t, t, t))
+    ll_t, ur_t = (-s_t).bounding_box
+    assert ur_t == pytest.approx(ur + t)
+    assert ll_t == pytest.approx(ll + t)
+
+    # Make sure repr works
+    repr(s)

From e3e659ca834411bd56bb288223f64e7f978575b1 Mon Sep 17 00:00:00 2001
From: stchaker <stchaker@mit.edu>
Date: Tue, 4 Apr 2023 16:58:28 -0400
Subject: [PATCH 1708/2654] avoid python C API segfault on intel mac

---
 include/openmc/settings.h | 7 ++++++-
 src/initialize.cpp        | 1 +
 src/settings.cpp          | 2 ++
 3 files changed, 9 insertions(+), 1 deletion(-)

diff --git a/include/openmc/settings.h b/include/openmc/settings.h
index 806288efe..9cd2f7c2d 100644
--- a/include/openmc/settings.h
+++ b/include/openmc/settings.h
@@ -68,7 +68,12 @@ extern std::string path_input;  //!< directory where main .xml files resides
 extern std::string path_output; //!< directory where output files are written
 extern std::string path_particle_restart; //!< path to a particle restart file
 extern std::string path_sourcepoint;      //!< path to a source file
-extern "C" std::string path_statepoint;   //!< path to a statepoint file
+extern std::string path_statepoint;       //!< path to a statepoint file
+
+// This is required because the c_str() may not be the first thing in
+// std::string. Sometimes it is, but it seems libc++ may not be like that
+// on some computers, like the intel Mac.
+extern "C" char const* path_statepoint_c; //!< C pointer to statepoint file name
 
 extern "C" int32_t n_inactive;         //!< number of inactive batches
 extern "C" int32_t max_lost_particles; //!< maximum number of lost particles
diff --git a/src/initialize.cpp b/src/initialize.cpp
index 6383af64e..da35d4ff6 100644
--- a/src/initialize.cpp
+++ b/src/initialize.cpp
@@ -193,6 +193,7 @@ int parse_command_line(int argc, char* argv[])
         // Set path and flag for type of run
         if (filetype == "statepoint") {
           settings::path_statepoint = argv[i];
+          settings::path_statepoint_c = settings::path_statepoint.c_str();
           settings::restart_run = true;
         } else if (filetype == "particle restart") {
           settings::path_particle_restart = argv[i];
diff --git a/src/settings.cpp b/src/settings.cpp
index 2f8fbd1d0..cf678d404 100644
--- a/src/settings.cpp
+++ b/src/settings.cpp
@@ -82,6 +82,8 @@ std::string path_output;
 std::string path_particle_restart;
 std::string path_sourcepoint;
 std::string path_statepoint;
+std::string empty_string = "";
+char const* path_statepoint_c {empty_string.c_str()};
 
 int32_t n_inactive {0};
 int32_t max_lost_particles {10};

From e2dedf546118684019fe70f191541d260c0e4b8f Mon Sep 17 00:00:00 2001
From: Gavin Ridley <gavin.keith.ridley@gmail.com>
Date: Mon, 13 Dec 2021 14:37:08 -0500
Subject: [PATCH 1709/2654] move common with projection plot to base class

---
 include/openmc/plot.h | 54 ++++++++++++++++++++-------------
 src/plot.cpp          | 69 ++++++++++++++++++-------------------------
 2 files changed, 61 insertions(+), 62 deletions(-)

diff --git a/include/openmc/plot.h b/include/openmc/plot.h
index a415b1747..1c2d9e48d 100644
--- a/include/openmc/plot.h
+++ b/include/openmc/plot.h
@@ -102,7 +102,7 @@ enum class PlotColorBy { cells = 0, mats = 1 };
 //===============================================================================
 // Plot class
 //===============================================================================
-class PlotBase {
+class SlicePlotBase {
 public:
   template<class T>
   T get_map() const;
@@ -113,12 +113,13 @@ public:
   Position width_;          //!< Plot width in geometry
   PlotBasis basis_;         //!< Plot basis (XY/XZ/YZ)
   array<size_t, 3> pixels_; //!< Plot size in pixels
-  bool color_overlaps_;     //!< Show overlapping cells?
-  int level_;               //!< Plot universe level
+  bool slice_color_overlaps_; //!< Show overlapping cells?
+  int slice_level_ {-1};      //!< Plot universe level
+private:
 };
 
 template<class T>
-T PlotBase::get_map() const
+T SlicePlotBase::get_map() const
 {
 
   size_t width = pixels_[0];
@@ -164,7 +165,7 @@ T PlotBase::get_map() const
     p.r() = xyz;
     p.u() = dir;
     p.coord(0).universe = model::root_universe;
-    int level = level_;
+    int level = slice_level_;
     int j {};
 
 #pragma omp for
@@ -182,7 +183,7 @@ T PlotBase::get_map() const
         if (found_cell) {
           data.set_value(y, x, p, j);
         }
-        if (color_overlaps_ && check_cell_overlap(p, false)) {
+        if (slice_color_overlaps_ && check_cell_overlap(p, false)) {
           data.set_overlap(y, x);
         }
       } // inner for
@@ -192,7 +193,31 @@ T PlotBase::get_map() const
   return data;
 }
 
-class Plot : public PlotBase {
+// Common data and methods between ProjectionPlot and Plot types
+class PlotBase {
+protected:
+  void set_id(pugi::xml_node plot_node);
+  void set_bg_color(pugi::xml_node plot_node);
+  void set_universe(pugi::xml_node plot_node);
+  void set_default_colors(pugi::xml_node plot_node);
+  void set_user_colors(pugi::xml_node plot_node);
+  void set_overlap_color(pugi::xml_node plot_node);
+  void set_mask(pugi::xml_node plot_node);
+
+public:
+  PlotBase(pugi::xml_node plot_node);
+  int id_;                       // Plot ID
+  int level_;                    // Universe level to plot
+  bool color_overlaps_;          //!< Show overlapping cells?
+  PlotColorBy color_by_;         // Plot coloring (cell/material)
+  RGBColor not_found_ {WHITE};   // Plot background color
+  RGBColor overlap_color_ {RED}; // Plot overlap color
+  vector<RGBColor> colors_;      // Plot colors
+  std::string path_plot_;        // Plot output filename
+};
+
+// Represents either a voxel or pixel plot
+class Plot : public SlicePlotBase, public PlotBase {
 
 public:
   // Constructor
@@ -200,32 +225,19 @@ public:
 
   // Methods
 private:
-  void set_id(pugi::xml_node plot_node);
-  void set_type(pugi::xml_node plot_node);
   void set_output_path(pugi::xml_node plot_node);
-  void set_bg_color(pugi::xml_node plot_node);
+  void set_type(pugi::xml_node plot_node);
   void set_basis(pugi::xml_node plot_node);
   void set_origin(pugi::xml_node plot_node);
   void set_width(pugi::xml_node plot_node);
-  void set_universe(pugi::xml_node plot_node);
-  void set_default_colors(pugi::xml_node plot_node);
-  void set_user_colors(pugi::xml_node plot_node);
   void set_meshlines(pugi::xml_node plot_node);
-  void set_mask(pugi::xml_node plot_node);
-  void set_overlap_color(pugi::xml_node plot_node);
 
   // Members
 public:
-  int id_;                        //!< Plot ID
   PlotType type_;                 //!< Plot type (Slice/Voxel)
-  PlotColorBy color_by_;          //!< Plot coloring (cell/material)
   int meshlines_width_;           //!< Width of lines added to the plot
   int index_meshlines_mesh_ {-1}; //!< Index of the mesh to draw on the plot
   RGBColor meshlines_color_;      //!< Color of meshlines on the plot
-  RGBColor not_found_ {WHITE};    //!< Plot background color
-  RGBColor overlap_color_ {RED};  //!< Plot overlap color
-  vector<RGBColor> colors_;       //!< Plot colors
-  std::string path_plot_;         //!< Plot output filename
 };
 
 //===============================================================================
diff --git a/src/plot.cpp b/src/plot.cpp
index fac13a1f4..d3486d553 100644
--- a/src/plot.cpp
+++ b/src/plot.cpp
@@ -213,7 +213,7 @@ void create_image(Plot const& pl)
 #endif
 }
 
-void Plot::set_id(pugi::xml_node plot_node)
+void PlotBase::set_id(pugi::xml_node plot_node)
 {
   // Copy data into plots
   if (check_for_node(plot_node, "id")) {
@@ -298,16 +298,11 @@ void Plot::set_output_path(pugi::xml_node plot_node)
   }
 }
 
-void Plot::set_bg_color(pugi::xml_node plot_node)
+void PlotBase::set_bg_color(pugi::xml_node plot_node)
 {
   // Copy plot background color
   if (check_for_node(plot_node, "background")) {
     vector<int> bg_rgb = get_node_array<int>(plot_node, "background");
-    if (PlotType::voxel == type_) {
-      if (mpi::master) {
-        warning(fmt::format("Background color ignored in voxel plot {}", id_));
-      }
-    }
     if (bg_rgb.size() == 3) {
       not_found_ = bg_rgb;
     } else {
@@ -371,7 +366,7 @@ void Plot::set_width(pugi::xml_node plot_node)
   }
 }
 
-void Plot::set_universe(pugi::xml_node plot_node)
+void PlotBase::set_universe(pugi::xml_node plot_node)
 {
   // Copy plot universe level
   if (check_for_node(plot_node, "level")) {
@@ -384,7 +379,7 @@ void Plot::set_universe(pugi::xml_node plot_node)
   }
 }
 
-void Plot::set_default_colors(pugi::xml_node plot_node)
+void PlotBase::set_default_colors(pugi::xml_node plot_node)
 {
   // Copy plot color type and initialize all colors randomly
   std::string pl_color_by = "cell";
@@ -411,15 +406,8 @@ void Plot::set_default_colors(pugi::xml_node plot_node)
   }
 }
 
-void Plot::set_user_colors(pugi::xml_node plot_node)
+void PlotBase::set_user_colors(pugi::xml_node plot_node)
 {
-  if (!plot_node.select_nodes("color").empty() && PlotType::voxel == type_) {
-    if (mpi::master) {
-      warning(
-        fmt::format("Color specifications ignored in voxel plot {}", id_));
-    }
-  }
-
   for (auto cn : plot_node.children("color")) {
     // Make sure 3 values are specified for RGB
     vector<int> user_rgb = get_node_array<int>(cn, "rgb");
@@ -562,18 +550,12 @@ void Plot::set_meshlines(pugi::xml_node plot_node)
   }
 }
 
-void Plot::set_mask(pugi::xml_node plot_node)
+void PlotBase::set_mask(pugi::xml_node plot_node)
 {
   // Deal with masks
   pugi::xpath_node_set mask_nodes = plot_node.select_nodes("mask");
 
   if (!mask_nodes.empty()) {
-    if (PlotType::voxel == type_) {
-      if (mpi::master) {
-        warning(fmt::format("Mask ignored in voxel plot {}", id_));
-      }
-    }
-
     if (mask_nodes.size() == 1) {
       // Get pointer to mask
       pugi::xml_node mask_node = mask_nodes[0].node();
@@ -625,7 +607,7 @@ void Plot::set_mask(pugi::xml_node plot_node)
   }
 }
 
-void Plot::set_overlap_color(pugi::xml_node plot_node)
+void PlotBase::set_overlap_color(pugi::xml_node plot_node)
 {
   color_overlaps_ = false;
   if (check_for_node(plot_node, "show_overlaps")) {
@@ -654,23 +636,29 @@ void Plot::set_overlap_color(pugi::xml_node plot_node)
   }
 }
 
-Plot::Plot(pugi::xml_node plot_node)
-  : index_meshlines_mesh_ {-1}, overlap_color_ {RED}
+PlotBase::PlotBase(pugi::xml_node plot_node)
 {
   set_id(plot_node);
-  set_type(plot_node);
-  set_output_path(plot_node);
   set_bg_color(plot_node);
-  set_basis(plot_node);
-  set_origin(plot_node);
-  set_width(plot_node);
   set_universe(plot_node);
   set_default_colors(plot_node);
   set_user_colors(plot_node);
-  set_meshlines(plot_node);
   set_mask(plot_node);
   set_overlap_color(plot_node);
-} // End Plot constructor
+}
+
+Plot::Plot(pugi::xml_node plot_node)
+  : PlotBase(plot_node), index_meshlines_mesh_ {-1}
+{
+  set_type(plot_node);
+  set_output_path(plot_node);
+  set_basis(plot_node);
+  set_origin(plot_node);
+  set_width(plot_node);
+  set_meshlines(plot_node);
+  slice_level_ = level_; // Copy level employed in SlicePlotBase::get_map
+  slice_color_overlaps_ = color_overlaps_;
+}
 
 //==============================================================================
 // OUTPUT_PPM writes out a previously generated image to a PPM file
@@ -914,13 +902,12 @@ void create_voxel(Plot const& pl)
   hid_t dspace, dset, memspace;
   voxel_init(file_id, &(dims[0]), &dspace, &dset, &memspace);
 
-  PlotBase pltbase;
+  SlicePlotBase pltbase;
   pltbase.width_ = pl.width_;
   pltbase.origin_ = pl.origin_;
   pltbase.basis_ = PlotBasis::xy;
   pltbase.pixels_ = pl.pixels_;
-  pltbase.level_ = -1; // all universes for voxel files
-  pltbase.color_overlaps_ = pl.color_overlaps_;
+  pltbase.slice_color_overlaps_ = pl.color_overlaps_;
 
   ProgressBar pb;
   for (int z = 0; z < pl.pixels_[2]; z++) {
@@ -989,13 +976,13 @@ RGBColor random_color(void)
 extern "C" int openmc_id_map(const void* plot, int32_t* data_out)
 {
 
-  auto plt = reinterpret_cast<const PlotBase*>(plot);
+  auto plt = reinterpret_cast<const SlicePlotBase*>(plot);
   if (!plt) {
     set_errmsg("Invalid slice pointer passed to openmc_id_map");
     return OPENMC_E_INVALID_ARGUMENT;
   }
 
-  if (plt->color_overlaps_ && model::overlap_check_count.size() == 0) {
+  if (plt->slice_color_overlaps_ && model::overlap_check_count.size() == 0) {
     model::overlap_check_count.resize(model::cells.size());
   }
 
@@ -1010,13 +997,13 @@ extern "C" int openmc_id_map(const void* plot, int32_t* data_out)
 extern "C" int openmc_property_map(const void* plot, double* data_out)
 {
 
-  auto plt = reinterpret_cast<const PlotBase*>(plot);
+  auto plt = reinterpret_cast<const SlicePlotBase*>(plot);
   if (!plt) {
     set_errmsg("Invalid slice pointer passed to openmc_id_map");
     return OPENMC_E_INVALID_ARGUMENT;
   }
 
-  if (plt->color_overlaps_ && model::overlap_check_count.size() == 0) {
+  if (plt->slice_color_overlaps_ && model::overlap_check_count.size() == 0) {
     model::overlap_check_count.resize(model::cells.size());
   }
 

From 5105a8423db4247870cea160e2c073dc59a6c30c Mon Sep 17 00:00:00 2001
From: Gavin Ridley <gavin.keith.ridley@gmail.com>
Date: Mon, 13 Dec 2021 16:05:41 -0500
Subject: [PATCH 1710/2654] further refactor of plots, start ProjectionPlot

---
 include/openmc/plot.h | 145 ++++++++++------
 src/output.cpp        |  55 +-----
 src/plot.cpp          | 383 ++++++++++++++++++++++++------------------
 3 files changed, 319 insertions(+), 264 deletions(-)

diff --git a/include/openmc/plot.h b/include/openmc/plot.h
index 1c2d9e48d..edd118bc3 100644
--- a/include/openmc/plot.h
+++ b/include/openmc/plot.h
@@ -23,12 +23,13 @@ namespace openmc {
 // Global variables
 //===============================================================================
 
-class Plot;
+class PlottableInterface;
 
 namespace model {
 
 extern std::unordered_map<int, int> plot_map; //!< map of plot ids to index
-extern vector<Plot> plots;                    //!< Plot instance container
+extern std::vector<std::unique_ptr<PlottableInterface>>
+  plots; //!< Plot instance container
 
 extern uint64_t plotter_seed; // Stream index used by the plotter
 
@@ -67,6 +68,49 @@ struct RGBColor {
 const RGBColor WHITE {255, 255, 255};
 const RGBColor RED {255, 0, 0};
 
+/*
+ * PlottableInterface classes just have to have a unique ID in the plots.xml
+ * file, and guarantee being able to create output in some way.
+ */
+class PlottableInterface {
+private:
+  void set_id(pugi::xml_node plot_node);
+  int id_; // unique plot ID
+
+  void set_bg_color(pugi::xml_node plot_node);
+  void set_universe(pugi::xml_node plot_node);
+  void set_default_colors(pugi::xml_node plot_node);
+  void set_user_colors(pugi::xml_node plot_node);
+  void set_overlap_color(pugi::xml_node plot_node);
+  void set_mask(pugi::xml_node plot_node);
+
+protected:
+  // Plot output filename, derived classes have logic to set it
+  std::string path_plot_;
+
+public:
+  enum class PlotColorBy { cells = 0, mats = 1 };
+
+  // Creates the output image named path_plot_
+  virtual void create_output() const = 0;
+
+  // Print useful info to the terminal
+  virtual void print_info() const = 0;
+
+  const std::string& path_plot() const { return path_plot_; }
+  const int id() const { return id_; }
+  const int level() const { return level_; }
+
+  // Public color-related data
+  PlottableInterface(pugi::xml_node plot_node);
+  int level_;                    // Universe level to plot
+  bool color_overlaps_;          // Show overlapping cells?
+  PlotColorBy color_by_;         // Plot coloring (cell/material)
+  RGBColor not_found_ {WHITE};   // Plot background color
+  RGBColor overlap_color_ {RED}; // Plot overlap color
+  vector<RGBColor> colors_;      // Plot colors
+};
+
 typedef xt::xtensor<RGBColor, 2> ImageData;
 
 struct IdData {
@@ -93,20 +137,17 @@ struct PropertyData {
   xt::xtensor<double, 3> data_; //!< 2D array of temperature & density data
 };
 
-enum class PlotType { slice = 1, voxel = 2 };
-
-enum class PlotBasis { xy = 1, xz = 2, yz = 3 };
-
-enum class PlotColorBy { cells = 0, mats = 1 };
-
 //===============================================================================
 // Plot class
 //===============================================================================
+
 class SlicePlotBase {
 public:
   template<class T>
   T get_map() const;
 
+  enum class PlotBasis { xy = 1, xz = 2, yz = 3 };
+
   // Members
 public:
   Position origin_;         //!< Plot origin in geometry
@@ -193,72 +234,78 @@ T SlicePlotBase::get_map() const
   return data;
 }
 
-// Common data and methods between ProjectionPlot and Plot types
-class PlotBase {
+// Provides methods and data for controlling plot colors
+class PlotColorMixin {
 protected:
-  void set_id(pugi::xml_node plot_node);
-  void set_bg_color(pugi::xml_node plot_node);
-  void set_universe(pugi::xml_node plot_node);
-  void set_default_colors(pugi::xml_node plot_node);
-  void set_user_colors(pugi::xml_node plot_node);
-  void set_overlap_color(pugi::xml_node plot_node);
-  void set_mask(pugi::xml_node plot_node);
 
 public:
-  PlotBase(pugi::xml_node plot_node);
-  int id_;                       // Plot ID
-  int level_;                    // Universe level to plot
-  bool color_overlaps_;          //!< Show overlapping cells?
-  PlotColorBy color_by_;         // Plot coloring (cell/material)
-  RGBColor not_found_ {WHITE};   // Plot background color
-  RGBColor overlap_color_ {RED}; // Plot overlap color
-  vector<RGBColor> colors_;      // Plot colors
-  std::string path_plot_;        // Plot output filename
 };
 
 // Represents either a voxel or pixel plot
-class Plot : public SlicePlotBase, public PlotBase {
+class Plot : public PlottableInterface, public SlicePlotBase {
 
 public:
-  // Constructor
-  Plot(pugi::xml_node plot);
+  enum class PlotType { slice = 1, voxel = 2 };
+
+  Plot(pugi::xml_node plot, PlotType type);
 
-  // Methods
 private:
   void set_output_path(pugi::xml_node plot_node);
-  void set_type(pugi::xml_node plot_node);
   void set_basis(pugi::xml_node plot_node);
   void set_origin(pugi::xml_node plot_node);
   void set_width(pugi::xml_node plot_node);
   void set_meshlines(pugi::xml_node plot_node);
 
-  // Members
 public:
+  // Add mesh lines to ImageData
+  void draw_mesh_lines(ImageData& data) const;
+  void create_image() const;
+  void create_voxel() const;
+
+  virtual void create_output() const;
+  virtual void print_info() const;
+
   PlotType type_;                 //!< Plot type (Slice/Voxel)
   int meshlines_width_;           //!< Width of lines added to the plot
   int index_meshlines_mesh_ {-1}; //!< Index of the mesh to draw on the plot
   RGBColor meshlines_color_;      //!< Color of meshlines on the plot
 };
 
+class ProjectionPlot : public PlottableInterface {
+public:
+  ProjectionPlot(pugi::xml_node plot);
+
+  virtual void create_output() const;
+  virtual void print_info() const;
+
+private:
+  void set_look_at(pugi::xml_node plot);
+  void set_camera_position(pugi::xml_node plot);
+  void set_field_of_view(pugi::xml_node plot);
+
+  std::array<int, 2> pixels_;       // pixel dimension of resulting image
+  double horizontal_field_of_view_; // horiz. f.o.v. in degrees
+  double vertical_field_of_view_;   // vert. f.o.v. in degrees
+  Position camera_position_;        // where camera is
+  Position look_at_;                // point camera is centered looking at
+};
+
 //===============================================================================
 // Non-member functions
 //===============================================================================
 
-//! Add mesh lines to image data of a plot object
-//! \param[in] plot object
-//! \param[out] image data associated with the plot object
-void draw_mesh_lines(Plot const& pl, ImageData& data);
-
-//! Write a PPM image using a plot object's image data
-//! \param[in] plot object
-//! \param[out] image data associated with the plot object
-void output_ppm(Plot const& pl, const ImageData& data);
+/* Write a PPM image
+ * filename - name of output file
+ * data - image data to write
+ */
+void output_ppm(const std::string& filename, const ImageData& data);
 
 #ifdef USE_LIBPNG
-//! Write a PNG image using a plot object's image data
-//! \param[in] plot object
-//! \param[out] image data associated with the plot object
-void output_png(Plot const& pl, const ImageData& data);
+/* Write a PNG image
+ * filename - name of output file
+ * data - image data to write
+ */
+void output_png(const std::string& filename, const ImageData& data);
 #endif
 
 //! Initialize a voxel file
@@ -298,14 +345,6 @@ void read_plots_xml(pugi::xml_node root);
 //! Clear memory
 void free_memory_plot();
 
-//! Create an image for a plot object
-//! \param[in] plot object
-void create_image(Plot const& pl);
-
-//! Create an hdf5 voxel file for a plot object
-//! \param[in] plot object
-void create_voxel(Plot const& pl);
-
 //! Create a randomly generated RGB color
 //! \return RGBColor with random value
 RGBColor random_color();
diff --git a/src/output.cpp b/src/output.cpp
index 04e15b82d..666ae15b3 100644
--- a/src/output.cpp
+++ b/src/output.cpp
@@ -221,56 +221,11 @@ void print_plot()
   if (settings::verbosity < 5)
     return;
 
-  for (auto pl : model::plots) {
-    // Plot id
-    fmt::print("Plot ID: {}\n", pl.id_);
-    // Plot filename
-    fmt::print("Plot file: {}\n", pl.path_plot_);
-    // Plot level
-    fmt::print("Universe depth: {}\n", pl.level_);
-
-    // Plot type
-    if (PlotType::slice == pl.type_) {
-      fmt::print("Plot Type: Slice\n");
-    } else if (PlotType::voxel == pl.type_) {
-      fmt::print("Plot Type: Voxel\n");
-    }
-
-    // Plot parameters
-    fmt::print(
-      "Origin: {} {} {}\n", pl.origin_[0], pl.origin_[1], pl.origin_[2]);
-
-    if (PlotType::slice == pl.type_) {
-      fmt::print("Width: {:4} {:4}\n", pl.width_[0], pl.width_[1]);
-    } else if (PlotType::voxel == pl.type_) {
-      fmt::print(
-        "Width: {:4} {:4} {:4}\n", pl.width_[0], pl.width_[1], pl.width_[2]);
-    }
-
-    if (PlotColorBy::cells == pl.color_by_) {
-      fmt::print("Coloring: Cells\n");
-    } else if (PlotColorBy::mats == pl.color_by_) {
-      fmt::print("Coloring: Materials\n");
-    }
-
-    if (PlotType::slice == pl.type_) {
-      switch (pl.basis_) {
-      case PlotBasis::xy:
-        fmt::print("Basis: XY\n");
-        break;
-      case PlotBasis::xz:
-        fmt::print("Basis: XZ\n");
-        break;
-      case PlotBasis::yz:
-        fmt::print("Basis: YZ\n");
-        break;
-      }
-      fmt::print("Pixels: {} {}\n", pl.pixels_[0], pl.pixels_[1]);
-    } else if (PlotType::voxel == pl.type_) {
-      fmt::print(
-        "Voxels: {} {} {}\n", pl.pixels_[0], pl.pixels_[1], pl.pixels_[2]);
-    }
-
+  for (const auto& pl : model::plots) {
+    fmt::print("Plot ID: {}\n", pl->id());
+    fmt::print("Plot file: {}\n", pl->path_plot());
+    fmt::print("Universe depth: {}\n", pl->level());
+    pl->print_info(); // prints type-specific plot info
     fmt::print("\n");
   }
 }
diff --git a/src/plot.cpp b/src/plot.cpp
index d3486d553..fdba1370d 100644
--- a/src/plot.cpp
+++ b/src/plot.cpp
@@ -97,7 +97,7 @@ void PropertyData::set_overlap(size_t y, size_t x)
 namespace model {
 
 std::unordered_map<int, int> plot_map;
-vector<Plot> plots;
+std::vector<std::unique_ptr<PlottableInterface>> plots;
 uint64_t plotter_seed = 1;
 
 } // namespace model
@@ -110,20 +110,66 @@ extern "C" int openmc_plot_geometry()
 {
 
   for (auto& pl : model::plots) {
-    write_message(5, "Processing plot {}: {}...", pl.id_, pl.path_plot_);
-
-    if (PlotType::slice == pl.type_) {
-      // create 2D image
-      create_image(pl);
-    } else if (PlotType::voxel == pl.type_) {
-      // create voxel file for 3D viewing
-      create_voxel(pl);
-    }
+    write_message(5, "Processing plot {}: {}...", pl->id(), pl->path_plot());
+    pl->create_output();
   }
 
   return 0;
 }
 
+void Plot::create_output() const
+{
+  if (PlotType::slice == type_) {
+    // create 2D image
+    create_image();
+  } else if (PlotType::voxel == type_) {
+    // create voxel file for 3D viewing
+    create_voxel();
+  }
+}
+
+void Plot::print_info() const
+{
+  // Plot type
+  if (PlotType::slice == type_) {
+    fmt::print("Plot Type: Slice\n");
+  } else if (PlotType::voxel == type_) {
+    fmt::print("Plot Type: Voxel\n");
+  }
+
+  // Plot parameters
+  fmt::print("Origin: {} {} {}\n", origin_[0], origin_[1], origin_[2]);
+
+  if (PlotType::slice == type_) {
+    fmt::print("Width: {:4} {:4}\n", width_[0], width_[1]);
+  } else if (PlotType::voxel == type_) {
+    fmt::print("Width: {:4} {:4} {:4}\n", width_[0], width_[1], width_[2]);
+  }
+
+  if (PlotColorBy::cells == color_by_) {
+    fmt::print("Coloring: Cells\n");
+  } else if (PlotColorBy::mats == color_by_) {
+    fmt::print("Coloring: Materials\n");
+  }
+
+  if (PlotType::slice == type_) {
+    switch (basis_) {
+    case PlotBasis::xy:
+      fmt::print("Basis: XY\n");
+      break;
+    case PlotBasis::xz:
+      fmt::print("Basis: XZ\n");
+      break;
+    case PlotBasis::yz:
+      fmt::print("Basis: YZ\n");
+      break;
+    }
+    fmt::print("Pixels: {} {}\n", pixels_[0], pixels_[1]);
+  } else if (PlotType::voxel == type_) {
+    fmt::print("Voxels: {} {} {}\n", pixels_[0], pixels_[1], pixels_[2]);
+  }
+}
+
 void read_plots_xml()
 {
   // Check if plots.xml exists; this is only necessary when the plot runmode is
@@ -148,8 +194,26 @@ void read_plots_xml()
 void read_plots_xml(pugi::xml_node root)
 {
   for (auto node : root.children("plot")) {
-    model::plots.emplace_back(node);
-    model::plot_map[model::plots.back().id_] = model::plots.size() - 1;
+    std::string id_string = get_node_value(node, "id", true);
+    int id = std::stoi(id_string);
+    if (check_for_node(node, "type")) {
+      std::string type_str = get_node_value(node, "type", true);
+      if (type_str == "slice")
+        model::plots.emplace_back(
+          std::make_unique<Plot>(node, Plot::PlotType::slice));
+      else if (type_str == "voxel")
+        model::plots.emplace_back(
+          std::make_unique<Plot>(node, Plot::PlotType::voxel));
+      else if (type_str == "projection")
+        model::plots.emplace_back(std::make_unique<ProjectionPlot>(node));
+      else
+        fatal_error(
+          fmt::format("Unsupported plot type '{}' in plot {}", type_str, id));
+
+      model::plot_map[model::plots.back()->id()] = model::plots.size() - 1;
+    } else {
+      fatal_error(fmt::format("Must specify plot type in plot {}", id));
+    }
   }
 }
 
@@ -159,61 +223,58 @@ void free_memory_plot()
   model::plot_map.clear();
 }
 
-//==============================================================================
-// CREATE_IMAGE creates an image based on user input from a plots.xml <plot>
+// creates an image based on user input from a plots.xml <plot>
 // specification in the PNG/PPM format
-//==============================================================================
-
-void create_image(Plot const& pl)
+void Plot::create_image() const
 {
 
-  size_t width = pl.pixels_[0];
-  size_t height = pl.pixels_[1];
+  size_t width = pixels_[0];
+  size_t height = pixels_[1];
 
-  ImageData data({width, height}, pl.not_found_);
+  ImageData data({width, height}, not_found_);
 
   // generate ids for the plot
-  auto ids = pl.get_map<IdData>();
+  auto ids = get_map<IdData>();
 
   // assign colors
   for (size_t y = 0; y < height; y++) {
     for (size_t x = 0; x < width; x++) {
-      int idx = pl.color_by_ == PlotColorBy::cells ? 0 : 2;
+      int idx = color_by_ == PlotColorBy::cells ? 0 : 2;
       auto id = ids.data_(y, x, idx);
       // no setting needed if not found
       if (id == NOT_FOUND) {
         continue;
       }
       if (id == OVERLAP) {
-        data(x, y) = pl.overlap_color_;
+        data(x, y) = overlap_color_;
         continue;
       }
-      if (PlotColorBy::cells == pl.color_by_) {
-        data(x, y) = pl.colors_[model::cell_map[id]];
-      } else if (PlotColorBy::mats == pl.color_by_) {
+      if (PlotColorBy::cells == color_by_) {
+        data(x, y) = colors_[model::cell_map[id]];
+      } else if (PlotColorBy::mats == color_by_) {
         if (id == MATERIAL_VOID) {
           data(x, y) = WHITE;
           continue;
         }
-        data(x, y) = pl.colors_[model::material_map[id]];
+        data(x, y) = colors_[model::material_map[id]];
       } // color_by if-else
     }   // x for loop
   }     // y for loop
 
   // draw mesh lines if present
-  if (pl.index_meshlines_mesh_ >= 0) {
-    draw_mesh_lines(pl, data);
+  if (index_meshlines_mesh_ >= 0) {
+    draw_mesh_lines(data);
   }
 
 // create image file
 #ifdef USE_LIBPNG
-  output_png(pl, data);
+  output_png(path_plot(), data);
 #else
-  output_ppm(pl, data);
+  output_ppm(path_plot(), data);
 #endif
 }
 
-void PlotBase::set_id(pugi::xml_node plot_node)
+void PlottableInterface::set_id(pugi::xml_node plot_node)
 {
   // Copy data into plots
   if (check_for_node(plot_node, "id")) {
@@ -229,27 +290,6 @@ void PlotBase::set_id(pugi::xml_node plot_node)
   }
 }
 
-void Plot::set_type(pugi::xml_node plot_node)
-{
-  // Copy plot type
-  // Default is slice
-  type_ = PlotType::slice;
-  // check type specified on plot node
-  if (check_for_node(plot_node, "type")) {
-    std::string type_str = get_node_value(plot_node, "type", true);
-    // set type using node value
-    if (type_str == "slice") {
-      type_ = PlotType::slice;
-    } else if (type_str == "voxel") {
-      type_ = PlotType::voxel;
-    } else {
-      // if we're here, something is wrong
-      fatal_error(
-        fmt::format("Unsupported plot type '{}' in plot {}", type_str, id_));
-    }
-  }
-}
-
 void Plot::set_output_path(pugi::xml_node plot_node)
 {
   // Set output file path
@@ -258,7 +298,7 @@ void Plot::set_output_path(pugi::xml_node plot_node)
   if (check_for_node(plot_node, "filename")) {
     filename = get_node_value(plot_node, "filename");
   } else {
-    filename = fmt::format("plot_{}", id_);
+    filename = fmt::format("plot_{}", id());
   }
   // add appropriate file extension to name
   switch (type_) {
@@ -284,7 +324,7 @@ void Plot::set_output_path(pugi::xml_node plot_node)
       pixels_[1] = pxls[1];
     } else {
       fatal_error(
-        fmt::format("<pixels> must be length 2 in slice plot {}", id_));
+        fmt::format("<pixels> must be length 2 in slice plot {}", id()));
     }
   } else if (PlotType::voxel == type_) {
     if (pxls.size() == 3) {
@@ -293,12 +333,12 @@ void Plot::set_output_path(pugi::xml_node plot_node)
       pixels_[2] = pxls[2];
     } else {
       fatal_error(
-        fmt::format("<pixels> must be length 3 in voxel plot {}", id_));
+        fmt::format("<pixels> must be length 3 in voxel plot {}", id()));
     }
   }
 }
 
-void PlotBase::set_bg_color(pugi::xml_node plot_node)
+void PlottableInterface::set_bg_color(pugi::xml_node plot_node)
 {
   // Copy plot background color
   if (check_for_node(plot_node, "background")) {
@@ -306,7 +346,7 @@ void PlotBase::set_bg_color(pugi::xml_node plot_node)
     if (bg_rgb.size() == 3) {
       not_found_ = bg_rgb;
     } else {
-      fatal_error(fmt::format("Bad background RGB in plot {}", id_));
+      fatal_error(fmt::format("Bad background RGB in plot {}", id()));
     }
   }
 }
@@ -327,7 +367,7 @@ void Plot::set_basis(pugi::xml_node plot_node)
       basis_ = PlotBasis::yz;
     } else {
       fatal_error(
-        fmt::format("Unsupported plot basis '{}' in plot {}", pl_basis, id_));
+        fmt::format("Unsupported plot basis '{}' in plot {}", pl_basis, id()));
     }
   }
 }
@@ -339,7 +379,7 @@ void Plot::set_origin(pugi::xml_node plot_node)
   if (pl_origin.size() == 3) {
     origin_ = pl_origin;
   } else {
-    fatal_error(fmt::format("Origin must be length 3 in plot {}", id_));
+    fatal_error(fmt::format("Origin must be length 3 in plot {}", id()));
   }
 }
 
@@ -353,7 +393,7 @@ void Plot::set_width(pugi::xml_node plot_node)
       width_.y = pl_width[1];
     } else {
       fatal_error(
-        fmt::format("<width> must be length 2 in slice plot {}", id_));
+        fmt::format("<width> must be length 2 in slice plot {}", id()));
     }
   } else if (PlotType::voxel == type_) {
     if (pl_width.size() == 3) {
@@ -361,25 +401,25 @@ void Plot::set_width(pugi::xml_node plot_node)
       width_ = pl_width;
     } else {
       fatal_error(
-        fmt::format("<width> must be length 3 in voxel plot {}", id_));
+        fmt::format("<width> must be length 3 in voxel plot {}", id()));
     }
   }
 }
 
-void PlotBase::set_universe(pugi::xml_node plot_node)
+void PlottableInterface::set_universe(pugi::xml_node plot_node)
 {
   // Copy plot universe level
   if (check_for_node(plot_node, "level")) {
     level_ = std::stoi(get_node_value(plot_node, "level"));
     if (level_ < 0) {
-      fatal_error(fmt::format("Bad universe level in plot {}", id_));
+      fatal_error(fmt::format("Bad universe level in plot {}", id()));
     }
   } else {
     level_ = PLOT_LEVEL_LOWEST;
   }
 }
 
-void PlotBase::set_default_colors(pugi::xml_node plot_node)
+void PlottableInterface::set_default_colors(pugi::xml_node plot_node)
 {
   // Copy plot color type and initialize all colors randomly
   std::string pl_color_by = "cell";
@@ -394,7 +434,7 @@ void PlotBase::set_default_colors(pugi::xml_node plot_node)
     colors_.resize(model::materials.size());
   } else {
     fatal_error(fmt::format(
-      "Unsupported plot color type '{}' in plot {}", pl_color_by, id_));
+      "Unsupported plot color type '{}' in plot {}", pl_color_by, id()));
   }
 
   for (auto& c : colors_) {
@@ -406,21 +446,21 @@ void PlotBase::set_default_colors(pugi::xml_node plot_node)
   }
 }
 
-void PlotBase::set_user_colors(pugi::xml_node plot_node)
+void PlottableInterface::set_user_colors(pugi::xml_node plot_node)
 {
   for (auto cn : plot_node.children("color")) {
     // Make sure 3 values are specified for RGB
     vector<int> user_rgb = get_node_array<int>(cn, "rgb");
     if (user_rgb.size() != 3) {
-      fatal_error(fmt::format("Bad RGB in plot {}", id_));
+      fatal_error(fmt::format("Bad RGB in plot {}", id()));
     }
     // Ensure that there is an id for this color specification
     int col_id;
     if (check_for_node(cn, "id")) {
       col_id = std::stoi(get_node_value(cn, "id"));
     } else {
-      fatal_error(
-        fmt::format("Must specify id for color specification in plot {}", id_));
+      fatal_error(fmt::format(
+        "Must specify id for color specification in plot {}", id()));
     }
     // Add RGB
     if (PlotColorBy::cells == color_by_) {
@@ -429,7 +469,7 @@ void PlotBase::set_user_colors(pugi::xml_node plot_node)
         colors_[col_id] = user_rgb;
       } else {
         warning(fmt::format(
-          "Could not find cell {} specified in plot {}", col_id, id_));
+          "Could not find cell {} specified in plot {}", col_id, id()));
       }
     } else if (PlotColorBy::mats == color_by_) {
       if (model::material_map.find(col_id) != model::material_map.end()) {
@@ -437,7 +477,7 @@ void PlotBase::set_user_colors(pugi::xml_node plot_node)
         colors_[col_id] = user_rgb;
       } else {
         warning(fmt::format(
-          "Could not find material {} specified in plot {}", col_id, id_));
+          "Could not find material {} specified in plot {}", col_id, id()));
       }
     }
   } // color node loop
@@ -450,7 +490,7 @@ void Plot::set_meshlines(pugi::xml_node plot_node)
 
   if (!mesh_line_nodes.empty()) {
     if (PlotType::voxel == type_) {
-      warning(fmt::format("Meshlines ignored in voxel plot {}", id_));
+      warning(fmt::format("Meshlines ignored in voxel plot {}", id()));
     }
 
     if (mesh_line_nodes.size() == 1) {
@@ -464,7 +504,7 @@ void Plot::set_meshlines(pugi::xml_node plot_node)
       } else {
         fatal_error(fmt::format(
           "Must specify a meshtype for meshlines specification in plot {}",
-          id_));
+          id()));
       }
 
       // Ensure that there is a linewidth for this meshlines specification
@@ -475,7 +515,7 @@ void Plot::set_meshlines(pugi::xml_node plot_node)
       } else {
         fatal_error(fmt::format(
           "Must specify a linewidth for meshlines specification in plot {}",
-          id_));
+          id()));
       }
 
       // Check for color
@@ -484,7 +524,7 @@ void Plot::set_meshlines(pugi::xml_node plot_node)
         vector<int> ml_rgb = get_node_array<int>(meshlines_node, "color");
         if (ml_rgb.size() != 3) {
           fatal_error(
-            fmt::format("Bad RGB for meshlines color in plot {}", id_));
+            fmt::format("Bad RGB for meshlines color in plot {}", id()));
         }
         meshlines_color_ = ml_rgb;
       }
@@ -492,7 +532,8 @@ void Plot::set_meshlines(pugi::xml_node plot_node)
       // Set mesh based on type
       if ("ufs" == meshtype) {
         if (!simulation::ufs_mesh) {
-          fatal_error(fmt::format("No UFS mesh for meshlines on plot {}", id_));
+          fatal_error(
+            fmt::format("No UFS mesh for meshlines on plot {}", id()));
         } else {
           for (int i = 0; i < model::meshes.size(); ++i) {
             if (const auto* m =
@@ -508,7 +549,7 @@ void Plot::set_meshlines(pugi::xml_node plot_node)
       } else if ("entropy" == meshtype) {
         if (!simulation::entropy_mesh) {
           fatal_error(
-            fmt::format("No entropy mesh for meshlines on plot {}", id_));
+            fmt::format("No entropy mesh for meshlines on plot {}", id()));
         } else {
           for (int i = 0; i < model::meshes.size(); ++i) {
             if (const auto* m =
@@ -530,7 +571,7 @@ void Plot::set_meshlines(pugi::xml_node plot_node)
           std::stringstream err_msg;
           fatal_error(fmt::format("Must specify a mesh id for meshlines tally "
                                   "mesh specification in plot {}",
-            id_));
+            id()));
         }
         // find the tally index
         int idx;
@@ -538,19 +579,19 @@ void Plot::set_meshlines(pugi::xml_node plot_node)
         if (err != 0) {
           fatal_error(fmt::format("Could not find mesh {} specified in "
                                   "meshlines for plot {}",
-            tally_mesh_id, id_));
+            tally_mesh_id, id()));
         }
         index_meshlines_mesh_ = idx;
       } else {
-        fatal_error(fmt::format("Invalid type for meshlines on plot {}", id_));
+        fatal_error(fmt::format("Invalid type for meshlines on plot {}", id()));
       }
     } else {
-      fatal_error(fmt::format("Mutliple meshlines specified in plot {}", id_));
+      fatal_error(fmt::format("Mutliple meshlines specified in plot {}", id()));
     }
   }
 }
 
-void PlotBase::set_mask(pugi::xml_node plot_node)
+void PlottableInterface::set_mask(pugi::xml_node plot_node)
 {
   // Deal with masks
   pugi::xpath_node_set mask_nodes = plot_node.select_nodes("mask");
@@ -564,7 +605,7 @@ void PlotBase::set_mask(pugi::xml_node plot_node)
       vector<int> iarray = get_node_array<int>(mask_node, "components");
       if (iarray.size() == 0) {
         fatal_error(
-          fmt::format("Missing <components> in mask of plot {}", id_));
+          fmt::format("Missing <components> in mask of plot {}", id()));
       }
 
       // First we need to change the user-specified identifiers to indices
@@ -576,7 +617,7 @@ void PlotBase::set_mask(pugi::xml_node plot_node)
           } else {
             fatal_error(fmt::format("Could not find cell {} specified in the "
                                     "mask in plot {}",
-              col_id, id_));
+              col_id, id()));
           }
         } else if (PlotColorBy::mats == color_by_) {
           if (model::material_map.find(col_id) != model::material_map.end()) {
@@ -584,7 +625,7 @@ void PlotBase::set_mask(pugi::xml_node plot_node)
           } else {
             fatal_error(fmt::format("Could not find material {} specified in "
                                     "the mask in plot {}",
-              col_id, id_));
+              col_id, id()));
           }
         }
       }
@@ -602,12 +643,12 @@ void PlotBase::set_mask(pugi::xml_node plot_node)
       }
 
     } else {
-      fatal_error(fmt::format("Mutliple masks specified in plot {}", id_));
+      fatal_error(fmt::format("Mutliple masks specified in plot {}", id()));
     }
   }
 }
 
-void PlotBase::set_overlap_color(pugi::xml_node plot_node)
+void PlottableInterface::set_overlap_color(pugi::xml_node plot_node)
 {
   color_overlaps_ = false;
   if (check_for_node(plot_node, "show_overlaps")) {
@@ -617,13 +658,13 @@ void PlotBase::set_overlap_color(pugi::xml_node plot_node)
       if (!color_overlaps_) {
         warning(fmt::format(
           "Overlap color specified in plot {} but overlaps won't be shown.",
-          id_));
+          id()));
       }
       vector<int> olap_clr = get_node_array<int>(plot_node, "overlap_color");
       if (olap_clr.size() == 3) {
         overlap_color_ = olap_clr;
       } else {
-        fatal_error(fmt::format("Bad overlap RGB in plot {}", id_));
+        fatal_error(fmt::format("Bad overlap RGB in plot {}", id()));
       }
     }
   }
@@ -636,7 +677,7 @@ void PlotBase::set_overlap_color(pugi::xml_node plot_node)
   }
 }
 
-PlotBase::PlotBase(pugi::xml_node plot_node)
+PlottableInterface::PlottableInterface(pugi::xml_node plot_node)
 {
   set_id(plot_node);
   set_bg_color(plot_node);
@@ -647,10 +688,9 @@ PlotBase::PlotBase(pugi::xml_node plot_node)
   set_overlap_color(plot_node);
 }
 
-Plot::Plot(pugi::xml_node plot_node)
-  : PlotBase(plot_node), index_meshlines_mesh_ {-1}
+Plot::Plot(pugi::xml_node plot_node, PlotType type)
+  : PlottableInterface(plot_node), index_meshlines_mesh_ {-1}, type_(type)
 {
-  set_type(plot_node);
   set_output_path(plot_node);
   set_basis(plot_node);
   set_origin(plot_node);
@@ -664,10 +704,10 @@ Plot::Plot(pugi::xml_node plot_node)
 // OUTPUT_PPM writes out a previously generated image to a PPM file
 //==============================================================================
 
-void output_ppm(Plot const& pl, const ImageData& data)
+void output_ppm(const std::string& filename, const ImageData& data)
 {
   // Open PPM file for writing
-  std::string fname = pl.path_plot_;
+  std::string fname = filename;
   fname = strtrim(fname);
   std::ofstream of;
 
@@ -675,14 +715,14 @@ void output_ppm(Plot const& pl, const ImageData& data)
 
   // Write header
   of << "P6\n";
-  of << pl.pixels_[0] << " " << pl.pixels_[1] << "\n";
+  of << data.shape()[0] << " " << data.shape()[1] << "\n";
   of << "255\n";
   of.close();
 
   of.open(fname, std::ios::binary | std::ios::app);
   // Write color for each pixel
-  for (int y = 0; y < pl.pixels_[1]; y++) {
-    for (int x = 0; x < pl.pixels_[0]; x++) {
+  for (int y = 0; y < data.shape()[1]; y++) {
+    for (int x = 0; x < data.shape()[0]; x++) {
       RGBColor rgb = data(x, y);
       of << rgb.red << rgb.green << rgb.blue;
     }
@@ -695,10 +735,10 @@ void output_ppm(Plot const& pl, const ImageData& data)
 //==============================================================================
 
 #ifdef USE_LIBPNG
-void output_png(Plot const& pl, const ImageData& data)
+void output_png(const std::string& filename, const ImageData& data)
 {
   // Open PNG file for writing
-  std::string fname = pl.path_plot_;
+  std::string fname = filename;
   fname = strtrim(fname);
   auto fp = std::fopen(fname.c_str(), "wb");
 
@@ -714,8 +754,8 @@ void output_png(Plot const& pl, const ImageData& data)
   png_init_io(png_ptr, fp);
 
   // Write header (8 bit colour depth)
-  int width = pl.pixels_[0];
-  int height = pl.pixels_[1];
+  int width = data.shape()[0];
+  int height = data.shape()[1];
   png_set_IHDR(png_ptr, info_ptr, width, height, 8, PNG_COLOR_TYPE_RGB,
     PNG_INTERLACE_NONE, PNG_COMPRESSION_TYPE_BASE, PNG_FILTER_TYPE_BASE);
   png_write_info(png_ptr, info_ptr);
@@ -748,13 +788,13 @@ void output_png(Plot const& pl, const ImageData& data)
 // DRAW_MESH_LINES draws mesh line boundaries on an image
 //==============================================================================
 
-void draw_mesh_lines(Plot const& pl, ImageData& data)
+void Plot::draw_mesh_lines(ImageData& data) const
 {
   RGBColor rgb;
-  rgb = pl.meshlines_color_;
+  rgb = meshlines_color_;
 
   int ax1, ax2;
-  switch (pl.basis_) {
+  switch (basis_) {
   case PlotBasis::xy:
     ax1 = 0;
     ax2 = 1;
@@ -771,45 +811,45 @@ void draw_mesh_lines(Plot const& pl, ImageData& data)
     UNREACHABLE();
   }
 
-  Position ll_plot {pl.origin_};
-  Position ur_plot {pl.origin_};
+  Position ll_plot {origin_};
+  Position ur_plot {origin_};
 
-  ll_plot[ax1] -= pl.width_[0] / 2.;
-  ll_plot[ax2] -= pl.width_[1] / 2.;
-  ur_plot[ax1] += pl.width_[0] / 2.;
-  ur_plot[ax2] += pl.width_[1] / 2.;
+  ll_plot[ax1] -= width_[0] / 2.;
+  ll_plot[ax2] -= width_[1] / 2.;
+  ur_plot[ax1] += width_[0] / 2.;
+  ur_plot[ax2] += width_[1] / 2.;
 
   Position width = ur_plot - ll_plot;
 
   // Find the (axis-aligned) lines of the mesh that intersect this plot.
   auto axis_lines =
-    model::meshes[pl.index_meshlines_mesh_]->plot(ll_plot, ur_plot);
+    model::meshes[index_meshlines_mesh_]->plot(ll_plot, ur_plot);
 
   // Find the bounds along the second axis (accounting for low-D meshes).
   int ax2_min, ax2_max;
   if (axis_lines.second.size() > 0) {
     double frac = (axis_lines.second.back() - ll_plot[ax2]) / width[ax2];
-    ax2_min = (1.0 - frac) * pl.pixels_[1];
+    ax2_min = (1.0 - frac) * pixels_[1];
     if (ax2_min < 0)
       ax2_min = 0;
     frac = (axis_lines.second.front() - ll_plot[ax2]) / width[ax2];
-    ax2_max = (1.0 - frac) * pl.pixels_[1];
-    if (ax2_max > pl.pixels_[1])
-      ax2_max = pl.pixels_[1];
+    ax2_max = (1.0 - frac) * pixels_[1];
+    if (ax2_max > pixels_[1])
+      ax2_max = pixels_[1];
   } else {
     ax2_min = 0;
-    ax2_max = pl.pixels_[1];
+    ax2_max = pixels_[1];
   }
 
   // Iterate across the first axis and draw lines.
   for (auto ax1_val : axis_lines.first) {
     double frac = (ax1_val - ll_plot[ax1]) / width[ax1];
-    int ax1_ind = frac * pl.pixels_[0];
+    int ax1_ind = frac * pixels_[0];
     for (int ax2_ind = ax2_min; ax2_ind < ax2_max; ++ax2_ind) {
-      for (int plus = 0; plus <= pl.meshlines_width_; plus++) {
-        if (ax1_ind + plus >= 0 && ax1_ind + plus < pl.pixels_[0])
+      for (int plus = 0; plus <= meshlines_width_; plus++) {
+        if (ax1_ind + plus >= 0 && ax1_ind + plus < pixels_[0])
           data(ax1_ind + plus, ax2_ind) = rgb;
-        if (ax1_ind - plus >= 0 && ax1_ind - plus < pl.pixels_[0])
+        if (ax1_ind - plus >= 0 && ax1_ind - plus < pixels_[0])
           data(ax1_ind - plus, ax2_ind) = rgb;
       }
     }
@@ -819,60 +859,57 @@ void draw_mesh_lines(Plot const& pl, ImageData& data)
   int ax1_min, ax1_max;
   if (axis_lines.first.size() > 0) {
     double frac = (axis_lines.first.front() - ll_plot[ax1]) / width[ax1];
-    ax1_min = frac * pl.pixels_[0];
+    ax1_min = frac * pixels_[0];
     if (ax1_min < 0)
       ax1_min = 0;
     frac = (axis_lines.first.back() - ll_plot[ax1]) / width[ax1];
-    ax1_max = frac * pl.pixels_[0];
-    if (ax1_max > pl.pixels_[0])
-      ax1_max = pl.pixels_[0];
+    ax1_max = frac * pixels_[0];
+    if (ax1_max > pixels_[0])
+      ax1_max = pixels_[0];
   } else {
     ax1_min = 0;
-    ax1_max = pl.pixels_[0];
+    ax1_max = pixels_[0];
   }
 
   // Iterate across the second axis and draw lines.
   for (auto ax2_val : axis_lines.second) {
     double frac = (ax2_val - ll_plot[ax2]) / width[ax2];
-    int ax2_ind = (1.0 - frac) * pl.pixels_[1];
+    int ax2_ind = (1.0 - frac) * pixels_[1];
     for (int ax1_ind = ax1_min; ax1_ind < ax1_max; ++ax1_ind) {
-      for (int plus = 0; plus <= pl.meshlines_width_; plus++) {
-        if (ax2_ind + plus >= 0 && ax2_ind + plus < pl.pixels_[1])
+      for (int plus = 0; plus <= meshlines_width_; plus++) {
+        if (ax2_ind + plus >= 0 && ax2_ind + plus < pixels_[1])
           data(ax1_ind, ax2_ind + plus) = rgb;
-        if (ax2_ind - plus >= 0 && ax2_ind - plus < pl.pixels_[1])
+        if (ax2_ind - plus >= 0 && ax2_ind - plus < pixels_[1])
           data(ax1_ind, ax2_ind - plus) = rgb;
       }
     }
   }
 }
 
-//==============================================================================
-// CREATE_VOXEL outputs a binary file that can be input into silomesh for 3D
-// geometry visualization.  It works the same way as create_image by dragging a
-// particle across the geometry for the specified number of voxels. The first 3
-// int's in the binary are the number of x, y, and z voxels.  The next 3
-// double's are the widths of the voxels in the x, y, and z directions. The
-// next 3 double's are the x, y, and z coordinates of the lower left
-// point. Finally the binary is filled with entries of four int's each. Each
-// 'row' in the binary contains four int's: 3 for x,y,z position and 1 for
-// cell or material id.  For 1 million voxels this produces a file of
-// approximately 15MB.
-// =============================================================================
-
-void create_voxel(Plot const& pl)
+/* outputs a binary file that can be input into silomesh for 3D geometry
+ * visualization.  It works the same way as create_image by dragging a particle
+ * across the geometry for the specified number of voxels. The first 3 int's in
+ * the binary are the number of x, y, and z voxels.  The next 3 double's are
+ * the widths of the voxels in the x, y, and z directions. The next 3 double's
+ * are the x, y, and z coordinates of the lower left point. Finally the binary
+ * is filled with entries of four int's each. Each 'row' in the binary contains
+ * four int's: 3 for x,y,z position and 1 for cell or material id.  For 1
+ * million voxels this produces a file of approximately 15MB.
+ */
+void Plot::create_voxel() const
 {
   // compute voxel widths in each direction
   array<double, 3> vox;
-  vox[0] = pl.width_[0] / (double)pl.pixels_[0];
-  vox[1] = pl.width_[1] / (double)pl.pixels_[1];
-  vox[2] = pl.width_[2] / (double)pl.pixels_[2];
+  vox[0] = width_[0] / static_cast<double>(pixels_[0]);
+  vox[1] = width_[1] / static_cast<double>(pixels_[1]);
+  vox[2] = width_[2] / static_cast<double>(pixels_[2]);
 
   // initial particle position
-  Position ll = pl.origin_ - pl.width_ / 2.;
+  Position ll = origin_ - width_ / 2.;
 
   // Open binary plot file for writing
   std::ofstream of;
-  std::string fname = std::string(pl.path_plot_);
+  std::string fname = std::string(path_plot_);
   fname = strtrim(fname);
   hid_t file_id = file_open(fname, 'w');
 
@@ -888,7 +925,7 @@ void create_voxel(Plot const& pl)
   // Write current date and time
   write_attribute(file_id, "date_and_time", time_stamp().c_str());
   array<int, 3> pixels;
-  std::copy(pl.pixels_.begin(), pl.pixels_.end(), pixels.begin());
+  std::copy(pixels_.begin(), pixels_.end(), pixels.begin());
   write_attribute(file_id, "num_voxels", pixels);
   write_attribute(file_id, "voxel_width", vox);
   write_attribute(file_id, "lower_left", ll);
@@ -896,23 +933,24 @@ void create_voxel(Plot const& pl)
   // Create dataset for voxel data -- note that the dimensions are reversed
   // since we want the order in the file to be z, y, x
   hsize_t dims[3];
-  dims[0] = pl.pixels_[2];
-  dims[1] = pl.pixels_[1];
-  dims[2] = pl.pixels_[0];
+  dims[0] = pixels_[2];
+  dims[1] = pixels_[1];
+  dims[2] = pixels_[0];
   hid_t dspace, dset, memspace;
   voxel_init(file_id, &(dims[0]), &dspace, &dset, &memspace);
 
   SlicePlotBase pltbase;
-  pltbase.width_ = pl.width_;
-  pltbase.origin_ = pl.origin_;
+  pltbase.width_ = width_;
+  pltbase.origin_ = origin_;
   pltbase.basis_ = PlotBasis::xy;
-  pltbase.pixels_ = pl.pixels_;
-  pltbase.slice_color_overlaps_ = pl.color_overlaps_;
+  pltbase.pixels_ = pixels_;
+  pltbase.slice_color_overlaps_ = color_overlaps_;
 
   ProgressBar pb;
-  for (int z = 0; z < pl.pixels_[2]; z++) {
+  for (int z = 0; z < pixels_[2]; z++) {
     // update progress bar
-    pb.set_value(100. * (double)z / (double)(pl.pixels_[2] - 1));
+    pb.set_value(
+      100. * static_cast<double>(z) / static_cast<double>((pixels_[2] - 1)));
 
     // update z coordinate
     pltbase.origin_.z = ll.z + z * vox[2];
@@ -921,7 +959,7 @@ void create_voxel(Plot const& pl)
     IdData ids = pltbase.get_map<IdData>();
 
     // select only cell/material ID data and flip the y-axis
-    int idx = pl.color_by_ == PlotColorBy::cells ? 0 : 2;
+    int idx = color_by_ == PlotColorBy::cells ? 0 : 2;
     xt::xtensor<int32_t, 2> data_slice =
       xt::view(ids.data_, xt::all(), xt::all(), idx);
     xt::xtensor<int32_t, 2> data_flipped = xt::flip(data_slice, 0);
@@ -973,6 +1011,29 @@ RGBColor random_color(void)
     int(prn(&model::plotter_seed) * 255), int(prn(&model::plotter_seed) * 255)};
 }
 
+ProjectionPlot::ProjectionPlot(pugi::xml_node node) : PlottableInterface(node)
+{
+  set_look_at(node);
+  set_camera_position(node);
+  set_field_of_view(node);
+}
+
+void ProjectionPlot::create_output() const
+{
+  // TODO
+}
+
+void ProjectionPlot::print_info() const
+{
+  // TODO
+}
+
+void ProjectionPlot::set_camera_position(pugi::xml_node node) {}
+
+void ProjectionPlot::set_look_at(pugi::xml_node node) {}
+
+void ProjectionPlot::set_field_of_view(pugi::xml_node node) {}
+
 extern "C" int openmc_id_map(const void* plot, int32_t* data_out)
 {
 

From d5aafc91cb65003399ec8f9dd7db048ea02979a0 Mon Sep 17 00:00:00 2001
From: Gavin Ridley <gavin.keith.ridley@gmail.com>
Date: Tue, 14 Dec 2021 15:37:40 -0500
Subject: [PATCH 1711/2654] projection plots nominally working

---
 include/openmc/plot.h                         |  27 +-
 src/plot.cpp                                  | 246 +++++++++++++++++-
 .../plot_projections/__init__.py              |   0
 .../plot_projections/geometry.xml             |  15 ++
 .../plot_projections/materials.xml            |  19 ++
 .../plot_projections/plots.xml                |  30 +++
 .../plot_projections/results_true.dat         |   1 +
 .../plot_projections/settings.xml             |  13 +
 .../plot_projections/tallies.xml              |  20 ++
 .../regression_tests/plot_projections/test.py |  60 +++++
 10 files changed, 421 insertions(+), 10 deletions(-)
 create mode 100644 tests/regression_tests/plot_projections/__init__.py
 create mode 100644 tests/regression_tests/plot_projections/geometry.xml
 create mode 100644 tests/regression_tests/plot_projections/materials.xml
 create mode 100644 tests/regression_tests/plot_projections/plots.xml
 create mode 100644 tests/regression_tests/plot_projections/results_true.dat
 create mode 100644 tests/regression_tests/plot_projections/settings.xml
 create mode 100644 tests/regression_tests/plot_projections/tallies.xml
 create mode 100644 tests/regression_tests/plot_projections/test.py

diff --git a/include/openmc/plot.h b/include/openmc/plot.h
index edd118bc3..af65fb7c3 100644
--- a/include/openmc/plot.h
+++ b/include/openmc/plot.h
@@ -67,6 +67,7 @@ struct RGBColor {
 // some default colors
 const RGBColor WHITE {255, 255, 255};
 const RGBColor RED {255, 0, 0};
+const RGBColor BLACK {0, 0, 0};
 
 /*
  * PlottableInterface classes just have to have a unique ID in the plots.xml
@@ -272,6 +273,10 @@ public:
 };
 
 class ProjectionPlot : public PlottableInterface {
+
+  // TODO add optional choice between perspective or orthographic
+  // TODO add optionl to turn off wireframe
+
 public:
   ProjectionPlot(pugi::xml_node plot);
 
@@ -279,15 +284,27 @@ public:
   virtual void print_info() const;
 
 private:
-  void set_look_at(pugi::xml_node plot);
-  void set_camera_position(pugi::xml_node plot);
-  void set_field_of_view(pugi::xml_node plot);
+  void set_look_at(pugi::xml_node node);
+  void set_camera_position(pugi::xml_node node);
+  void set_field_of_view(pugi::xml_node node);
+  void set_pixels(pugi::xml_node node);
+  void set_opacities(pugi::xml_node node);
 
   std::array<int, 2> pixels_;       // pixel dimension of resulting image
-  double horizontal_field_of_view_; // horiz. f.o.v. in degrees
-  double vertical_field_of_view_;   // vert. f.o.v. in degrees
+  double horizontal_field_of_view_ {70.0}; // horiz. f.o.v. in degrees
   Position camera_position_;        // where camera is
   Position look_at_;                // point camera is centered looking at
+  Direction up_ {0.0, 0.0, 1.0};    // which way is up
+  bool wireframe_; // draw wireframe around ID boundaries (material or cell
+                   // based on color_by)
+  RGBColor wireframe_color_ {BLACK}; // wireframe color
+  std::vector<double>
+    xs_; // macro cross section values for cell volume rendering
+
+  // If starting the particle from outside the geometry, we have to
+  // find a distance to the boundary in a non-standard surface intersection
+  // check. It's an exhaustive search over surfaces in the top-level universe.
+  static bool advance_to_boundary_from_void(Particle& p);
 };
 
 //===============================================================================
diff --git a/src/plot.cpp b/src/plot.cpp
index fdba1370d..bb643af53 100644
--- a/src/plot.cpp
+++ b/src/plot.cpp
@@ -1016,23 +1016,259 @@ ProjectionPlot::ProjectionPlot(pugi::xml_node node) : PlottableInterface(node)
   set_look_at(node);
   set_camera_position(node);
   set_field_of_view(node);
+  set_pixels(node);
+  set_opacities(node);
+
+  // TODO naming stuff...
+  std::string name = "projection" + std::to_string(id()) + ".png";
+  path_plot_ = name;
+}
+
+// Advances to the next boundary from outside the geometry
+bool ProjectionPlot::advance_to_boundary_from_void(Particle& p)
+{
+  constexpr double scoot = 1e-5;
+  double min_dist = {INFINITY};
+  auto coord = p.coord(0);
+  Universe* uni = model::universes[model::root_universe].get();
+  for (auto c_i : uni->cells_) {
+    auto dist = model::cells.at(c_i)->distance(coord.r, coord.u, 0, &p);
+    if (dist.first < min_dist)
+      min_dist = dist.first;
+  }
+  if (min_dist > 1e300)
+    return false;
+  else { // advance the particle
+    for (int j = 0; j < p.n_coord(); ++j)
+      p.coord(j).r += (min_dist + scoot) * p.coord(j).u;
+    return true;
+  }
 }
 
 void ProjectionPlot::create_output() const
 {
-  // TODO
+  // Get centerline vector for camera-to-model. We create vectors around this
+  // that form a pixel array, and then trace rays along that.
+  Direction looking_direction = look_at_ - camera_position_;
+  looking_direction /= looking_direction.norm();
+
+  // Now we convert to the polar coordinate system with the polar angle
+  // measuring the angle from the vector up_. Phi is the rotation about up_. For
+  // now, up_ is hard-coded to be +z.
+  constexpr double DEGREE_TO_RADIAN = M_PI / 180.0;
+  double phi0 = std::atan2(looking_direction.y, looking_direction.x);
+  double mu0 = std::acos(looking_direction.z);
+  double horiz_fov_radians = horizontal_field_of_view_ * DEGREE_TO_RADIAN;
+  double p0 = static_cast<double>(pixels_[0]);
+  double p1 = static_cast<double>(pixels_[1]);
+  double vert_fov_radians = horiz_fov_radians * p1 / p0;
+  double dphi = horiz_fov_radians / p0;
+  double dmu = vert_fov_radians / p1;
+
+  size_t width = pixels_[0];
+  size_t height = pixels_[1];
+  ImageData data({width, height}, not_found_);
+
+  // Loop over horizontal lines (vert field of view)
+  SourceSite s; // Where particle starts from (camera)
+  s.E = 1;
+  s.wgt = 1;
+  s.delayed_group = 0;
+  s.particle = ParticleType::photon; // just has to be something reasonable
+  s.parent_id = 1;
+  s.progeny_id = 2;
+  s.r = camera_position_;
+
+  Particle p;
+  s.u.x = 1.0;
+  s.u.y = 0.0;
+  s.u.z = 0.0;
+  p.from_source(&s);
+
+  // Do preliminary loop to advance to get within the geometry
+  struct TrackSegment {
+    int id;        // material or cell ID (which is being colored)
+    double length; // length of this track intersection
+    TrackSegment(int id_a, double length_a) : id(id_a), length(length_a) {}
+  };
+  std::vector<TrackSegment> segments;
+  std::vector<TrackSegment> old_segments;
+
+  for (int vert = 0; vert < pixels_[1]; ++vert) {
+    for (int horiz = 0; horiz < pixels_[0]; ++horiz) {
+      double this_phi = phi0 - horiz_fov_radians / 2.0 + dphi * horiz;
+      double this_mu = mu0 - vert_fov_radians / 2.0 + dmu * vert;
+      s.u.x = std::cos(this_phi) * std::sin(this_mu);
+      s.u.y = std::sin(this_phi) * std::sin(this_mu);
+      s.u.z = std::cos(this_mu);
+      p.from_source(&s); // put particle at camera
+      bool hitsomething = false;
+      bool intersection_found = true;
+      int loop_counter = 0;
+      const int max_intersections = 1000000;
+
+      old_segments = segments;
+      segments.clear();
+      while (intersection_found) {
+        bool inside_cell = exhaustive_find_cell(p);
+        if (inside_cell) {
+          hitsomething = true;
+          intersection_found = true;
+          auto dist = distance_to_boundary(p);
+          segments.emplace_back(color_by_ == PlotColorBy::mats
+                                  ? p.material()
+                                  : p.coord(p.n_coord() - 1).cell,
+            dist.distance);
+
+          // Advance particle
+          for (int lev = 0; lev < p.n_coord(); ++lev) {
+            p.coord(lev).r += dist.distance * p.coord(lev).u;
+          }
+          p.surface() = dist.surface_index;
+          p.n_coord_last() = p.n_coord();
+          p.n_coord() = dist.coord_level;
+          if (dist.lattice_translation[0] != 0 ||
+              dist.lattice_translation[1] != 0 ||
+              dist.lattice_translation[2] != 0) {
+            cross_lattice(p, dist);
+          }
+
+        } else {
+          intersection_found = advance_to_boundary_from_void(p);
+        }
+        loop_counter++;
+        if (loop_counter > max_intersections)
+          fatal_error("Infinite loop in projection plot");
+      }
+
+      // Now color the pixel based on what we have intersected...
+      // Loops backwards over intersections.
+      Position current_color(not_found_.red, not_found_.green, not_found_.blue);
+      for (unsigned i = segments.size(); i-- > 0;) {
+        int colormap_idx = segments[i].id;
+        RGBColor seg_color = colors_[colormap_idx];
+        Position seg_color_vec(seg_color.red, seg_color.green, seg_color.blue);
+        double mixing = std::exp(-xs_[colormap_idx] * segments[i].length);
+        current_color = current_color * mixing + (1.0 - mixing) * seg_color_vec;
+        RGBColor result;
+        result.red = static_cast<uint8_t>(current_color.x);
+        result.green = static_cast<uint8_t>(current_color.y);
+        result.blue = static_cast<uint8_t>(current_color.z);
+        data(horiz, vert) = result;
+      }
+
+      // Check to draw wireframe
+      bool draw_wireframe = false;
+      if (segments.size() == old_segments.size()) {
+        for (int i = 0; i < segments.size(); ++i) {
+          if (segments[i].id != old_segments[i].id) {
+            draw_wireframe = true;
+            break;
+          }
+        }
+      } else {
+        draw_wireframe = true;
+      }
+      if (draw_wireframe) {
+        data(horiz, vert) = wireframe_color_;
+      }
+    }
+  }
+#ifdef USE_LIBPNG
+  output_png(path_plot(), data);
+#else
+  output_ppm(path_plot(), data);
+#endif
 }
 
 void ProjectionPlot::print_info() const
 {
-  // TODO
+  fmt::print("Plot Type: Projection\n");
+  fmt::print("Camera position: {} {} {}\n", camera_position_.x,
+    camera_position_.y, camera_position_.z);
+  fmt::print("Look at: {} {} {}\n", look_at_.x, look_at_.y, look_at_.z);
+  fmt::print(
+    "Horizontal field of view: {} degrees\n", horizontal_field_of_view_);
+  fmt::print("Pixels: {} {}\n", pixels_[0], pixels_[1]);
 }
 
-void ProjectionPlot::set_camera_position(pugi::xml_node node) {}
+void ProjectionPlot::set_opacities(pugi::xml_node node)
+{
 
-void ProjectionPlot::set_look_at(pugi::xml_node node) {}
+  xs_.resize(colors_.size(), 1e6); // set to large value for opaque by default
 
-void ProjectionPlot::set_field_of_view(pugi::xml_node node) {}
+  for (auto cn : node.children("color")) {
+    // Make sure 3 values are specified for RGB
+    double user_xs = std::stod(get_node_value(cn, "xs"));
+    int col_id = std::stoi(get_node_value(cn, "id"));
+
+    // Add RGB
+    if (PlotColorBy::cells == color_by_) {
+      if (model::cell_map.find(col_id) != model::cell_map.end()) {
+        col_id = model::cell_map[col_id];
+        xs_[col_id] = user_xs;
+      } else {
+        warning(fmt::format(
+          "Could not find cell {} specified in plot {}", col_id, id()));
+      }
+    } else if (PlotColorBy::mats == color_by_) {
+      if (model::material_map.find(col_id) != model::material_map.end()) {
+        col_id = model::material_map[col_id];
+        xs_[col_id] = user_xs;
+      } else {
+        warning(fmt::format(
+          "Could not find material {} specified in plot {}", col_id, id()));
+      }
+    }
+  }
+}
+
+void ProjectionPlot::set_pixels(pugi::xml_node node)
+{
+  vector<int> pxls = get_node_array<int>(node, "pixels");
+  if (pxls.size() != 2)
+    fatal_error(
+      fmt::format("<pixels> must be length 2 in projection plot {}", id()));
+  pixels_[0] = pxls[0];
+  pixels_[1] = pxls[1];
+}
+
+void ProjectionPlot::set_camera_position(pugi::xml_node node)
+{
+  vector<double> camera_pos = get_node_array<double>(node, "camera_position");
+  if (camera_pos.size() != 3) {
+    fatal_error(
+      fmt::format("look_at element must have three floating point values"));
+  }
+  camera_position_.x = camera_pos[0];
+  camera_position_.y = camera_pos[1];
+  camera_position_.z = camera_pos[2];
+}
+
+void ProjectionPlot::set_look_at(pugi::xml_node node)
+{
+  vector<double> look_at = get_node_array<double>(node, "look_at");
+  if (look_at.size() != 3) {
+    fatal_error("look_at element must have three floating point values");
+  }
+  look_at_.x = look_at[0];
+  look_at_.y = look_at[1];
+  look_at_.z = look_at[2];
+}
+
+void ProjectionPlot::set_field_of_view(pugi::xml_node node)
+{
+  // Defaults to 70 degree horizontal field of view (see .h file)
+  if (check_for_node(node, "field_of_view")) {
+    double fov = std::stod(get_node_value(node, "field_of_view", true));
+    if (fov < 180.0 && fov > 0.0) {
+      horizontal_field_of_view_ = fov;
+    } else {
+      fatal_error(fmt::format(
+        "Field of view for plot {} out-of-range. Must be in (0, 180).", id()));
+    }
+  }
+}
 
 extern "C" int openmc_id_map(const void* plot, int32_t* data_out)
 {
diff --git a/tests/regression_tests/plot_projections/__init__.py b/tests/regression_tests/plot_projections/__init__.py
new file mode 100644
index 000000000..e69de29bb
diff --git a/tests/regression_tests/plot_projections/geometry.xml b/tests/regression_tests/plot_projections/geometry.xml
new file mode 100644
index 000000000..982187644
--- /dev/null
+++ b/tests/regression_tests/plot_projections/geometry.xml
@@ -0,0 +1,15 @@
+<?xml version="1.0"?>
+<geometry>
+
+  <surface id="1" type="z-cylinder" coeffs="0 0 2" />
+  <surface id="2" type="z-cylinder" coeffs="0 0 5" />
+  <surface id="3" type="z-cylinder" coeffs="0 0 10" boundary="vacuum" />
+  <surface id="4" type="y-plane" coeffs="5" boundary="vacuum" />
+  <surface id="5" type="z-plane" coeffs="-5" boundary="vacuum" />
+  <surface id="6" type="z-plane" coeffs="5" boundary="vacuum" />
+
+  <cell id="1" material="1" region="  -1 -4 5 -6" />
+  <cell id="2" material="2" region="1 -2 -4 5 -6" />
+  <cell id="3" material="3" region="2 -3 -4 5 -6" />
+
+</geometry>
diff --git a/tests/regression_tests/plot_projections/materials.xml b/tests/regression_tests/plot_projections/materials.xml
new file mode 100644
index 000000000..35f0de312
--- /dev/null
+++ b/tests/regression_tests/plot_projections/materials.xml
@@ -0,0 +1,19 @@
+<?xml version="1.0"?>
+<materials>
+
+  <material id="1">
+    <density value="4.5" units="g/cc" />
+    <nuclide name="U235" ao="1.0" />
+  </material>
+
+  <material id="2">
+    <density value="4.5" units="g/cc" />
+    <nuclide name="U235" ao="2.0" />
+  </material>
+
+  <material id="3">
+    <density value="4.5" units="g/cc" />
+    <nuclide name="U235" ao="3.0" />
+  </material>
+
+</materials>
diff --git a/tests/regression_tests/plot_projections/plots.xml b/tests/regression_tests/plot_projections/plots.xml
new file mode 100644
index 000000000..2d22c8865
--- /dev/null
+++ b/tests/regression_tests/plot_projections/plots.xml
@@ -0,0 +1,30 @@
+<?xml version="1.0"?>
+<plots>
+
+  <plot id="1" type="projection">
+    <look_at>0. 0. 0.</look_at>
+    <camera_position>20. 20. 20.</camera_position>
+    <pixels>200 200</pixels>
+    <color id="1" rgb="0 0 255" xs="10"/>
+    <color id="2" rgb="0 255 0" xs="0.1"/>
+    <color id="3" rgb="255 0 0" xs="1.0"/>
+    <field_of_view>70</field_of_view>
+  </plot>
+
+  <plot id="2" type="projection">
+    <look_at>0. 0. 0.</look_at>
+    <camera_position>20. 20. 20.</camera_position>
+    <width>25 25</width>
+    <pixels>200 200</pixels>
+    <mask components="1 3" background="255 255 255" />
+    <field_of_view>90</field_of_view>
+  </plot>
+
+  <plot id="3" color_by="material" type="projection">
+    <look_at>0. 0. 0.</look_at>
+    <camera_position>20. 20. 20.</camera_position>
+    <pixels>200 200</pixels>
+    <background>240 240 240</background>
+  </plot>
+
+</plots>
diff --git a/tests/regression_tests/plot_projections/results_true.dat b/tests/regression_tests/plot_projections/results_true.dat
new file mode 100644
index 000000000..45e097f62
--- /dev/null
+++ b/tests/regression_tests/plot_projections/results_true.dat
@@ -0,0 +1 @@
+8231bc2d60bee9df464fbf3c5b2ea611dcd0f10232f6a9b04f58fc5226716acb31580578f74d194f8ab2df1848ea1556621bf997e1d1562d5eb8471def2a5f24
\ No newline at end of file
diff --git a/tests/regression_tests/plot_projections/settings.xml b/tests/regression_tests/plot_projections/settings.xml
new file mode 100644
index 000000000..adf256d2d
--- /dev/null
+++ b/tests/regression_tests/plot_projections/settings.xml
@@ -0,0 +1,13 @@
+<?xml version="1.0"?>
+<settings>
+
+  <run_mode>plot</run_mode>
+
+  <mesh id="1">
+    <dimension>5 4 3</dimension>
+    <lower_left>-10 -10 -10</lower_left>
+    <upper_right>10 10 10</upper_right>
+  </mesh>
+  <entropy_mesh>1</entropy_mesh>
+
+</settings>
diff --git a/tests/regression_tests/plot_projections/tallies.xml b/tests/regression_tests/plot_projections/tallies.xml
new file mode 100644
index 000000000..b7e678ca0
--- /dev/null
+++ b/tests/regression_tests/plot_projections/tallies.xml
@@ -0,0 +1,20 @@
+<?xml version="1.0"?>
+<tallies>
+
+  <mesh id="2" type="rectilinear">
+    <x_grid>-10 10</x_grid>
+    <y_grid>-10 10</y_grid>
+    <z_grid>-10 0 5 7.5 8.75 10</z_grid>
+  </mesh>
+
+  <filter id="1">
+    <type>mesh</type>
+    <bins>2</bins>
+  </filter>
+
+  <tally id="1">
+    <filters>1</filters>
+    <scores>total</scores>
+  </tally>
+
+</tallies>
diff --git a/tests/regression_tests/plot_projections/test.py b/tests/regression_tests/plot_projections/test.py
new file mode 100644
index 000000000..2e1f4cd8d
--- /dev/null
+++ b/tests/regression_tests/plot_projections/test.py
@@ -0,0 +1,60 @@
+import glob
+import hashlib
+import os
+
+import h5py
+import openmc
+
+from tests.testing_harness import TestHarness
+from tests.regression_tests import config
+
+
+class PlotTestHarness(TestHarness):
+    """Specialized TestHarness for running OpenMC plotting tests."""
+    def __init__(self, plot_names):
+        super().__init__(None)
+        self._plot_names = plot_names
+
+    def _run_openmc(self):
+        openmc.plot_geometry(openmc_exec=config['exe'])
+
+    def _test_output_created(self):
+        """Make sure *.png has been created."""
+        for fname in self._plot_names:
+            assert os.path.exists(fname), 'Plot output file does not exist.'
+
+    def _cleanup(self):
+        super()._cleanup()
+        for fname in self._plot_names:
+            if os.path.exists(fname):
+                os.remove(fname)
+
+    def _get_results(self):
+        """Return a string hash of the plot files."""
+        outstr = bytes()
+
+        for fname in self._plot_names:
+            if fname.endswith('.png'):
+                # Add PNG output to results
+                with open(fname, 'rb') as fh:
+                    outstr += fh.read()
+            elif fname.endswith('.h5'):
+                # Add voxel data to results
+                with h5py.File(fname, 'r') as fh:
+                    outstr += fh.attrs['filetype']
+                    outstr += fh.attrs['num_voxels'].tobytes()
+                    outstr += fh.attrs['lower_left'].tobytes()
+                    outstr += fh.attrs['voxel_width'].tobytes()
+                    outstr += fh['data'][()].tobytes()
+
+        # Hash the information and return.
+        sha512 = hashlib.sha512()
+        sha512.update(outstr)
+        outstr = sha512.hexdigest()
+
+        return outstr
+
+
+def test_plot():
+    harness = PlotTestHarness(('projection1.png', 'projection2.png', 'projection3.png'))
+    harness.main()

From bad79975b04f30f6025310cbe8982d54b3d7c458 Mon Sep 17 00:00:00 2001
From: Gavin Ridley <gavin.keith.ridley@gmail.com>
Date: Thu, 16 Dec 2021 14:10:19 -0500
Subject: [PATCH 1712/2654] make wireframes not spotty

---
 src/plot.cpp | 59 +++++++++++++++++++++++++++++++++++++---------------
 1 file changed, 42 insertions(+), 17 deletions(-)

diff --git a/src/plot.cpp b/src/plot.cpp
index bb643af53..2d5d039cb 100644
--- a/src/plot.cpp
+++ b/src/plot.cpp
@@ -1085,16 +1085,28 @@ void ProjectionPlot::create_output() const
   s.u.z = 0.0;
   p.from_source(&s);
 
-  // Do preliminary loop to advance to get within the geometry
   struct TrackSegment {
     int id;        // material or cell ID (which is being colored)
     double length; // length of this track intersection
     TrackSegment(int id_a, double length_a) : id(id_a), length(length_a) {}
   };
-  std::vector<TrackSegment> segments;
-  std::vector<TrackSegment> old_segments;
+
+  /* Holds all of the track segments for the current rendered line of pixels.
+   * old_segments holds a copy of this_line_segments from the previous line.
+   * By holding both we can check if the cell/material intersection stack
+   * differs from the left or upper neighbor. This allows a robustly drawn
+   * wireframe. If only checking the left pixel (which requires substantially
+   * less memory), the wireframe tends to be spotty and be disconnected for
+   * surface edges oriented horizontally in the rendering.
+   *
+   * Note that a vector of vectors is required rather than a 2-tensor,
+   * since the stack size varies within each column.
+   */
+  std::vector<std::vector<TrackSegment>> this_line_segments(pixels_[0]);
+  std::vector<std::vector<TrackSegment>> old_segments(pixels_[0]);
 
   for (int vert = 0; vert < pixels_[1]; ++vert) {
+    old_segments = this_line_segments;
     for (int horiz = 0; horiz < pixels_[0]; ++horiz) {
       double this_phi = phi0 - horiz_fov_radians / 2.0 + dphi * horiz;
       double this_mu = mu0 - vert_fov_radians / 2.0 + dmu * vert;
@@ -1107,17 +1119,16 @@ void ProjectionPlot::create_output() const
       int loop_counter = 0;
       const int max_intersections = 1000000;
 
-      old_segments = segments;
-      segments.clear();
+      this_line_segments[horiz].clear();
       while (intersection_found) {
         bool inside_cell = exhaustive_find_cell(p);
         if (inside_cell) {
           hitsomething = true;
           intersection_found = true;
           auto dist = distance_to_boundary(p);
-          segments.emplace_back(color_by_ == PlotColorBy::mats
-                                  ? p.material()
-                                  : p.coord(p.n_coord() - 1).cell,
+          this_line_segments[horiz].emplace_back(
+            color_by_ == PlotColorBy::mats ? p.material()
+                                           : p.coord(p.n_coord() - 1).cell,
             dist.distance);
 
           // Advance particle
@@ -1144,6 +1155,7 @@ void ProjectionPlot::create_output() const
       // Now color the pixel based on what we have intersected...
       // Loops backwards over intersections.
       Position current_color(not_found_.red, not_found_.green, not_found_.blue);
+      const auto& segments = this_line_segments[horiz];
       for (unsigned i = segments.size(); i-- > 0;) {
         int colormap_idx = segments[i].id;
         RGBColor seg_color = colors_[colormap_idx];
@@ -1157,17 +1169,30 @@ void ProjectionPlot::create_output() const
         data(horiz, vert) = result;
       }
 
-      // Check to draw wireframe
-      bool draw_wireframe = false;
-      if (segments.size() == old_segments.size()) {
-        for (int i = 0; i < segments.size(); ++i) {
-          if (segments[i].id != old_segments[i].id) {
-            draw_wireframe = true;
-            break;
+      auto trackstack_equivalent =
+        [](const std::vector<TrackSegment>& track1,
+          const std::vector<TrackSegment>& track2) -> bool {
+        if (track1.size() != track2.size())
+          return false;
+        for (int i = 0; i < track1.size(); ++i) {
+          if (track1[i].id != track2[i].id) {
+            return false;
           }
         }
-      } else {
-        draw_wireframe = true;
+        return true;
+      };
+
+      // Check to draw wireframe
+      bool draw_wireframe = false;
+      if (horiz > 0) {
+        draw_wireframe =
+          draw_wireframe || !trackstack_equivalent(this_line_segments[horiz],
+                              this_line_segments[horiz - 1]);
+      }
+      if (vert > 0) {
+        draw_wireframe =
+          draw_wireframe || !trackstack_equivalent(
+                              this_line_segments[horiz], old_segments[horiz]);
       }
       if (draw_wireframe) {
         data(horiz, vert) = wireframe_color_;

From 071b6fa7967c75e91ae861097b01f6a9adc97a16 Mon Sep 17 00:00:00 2001
From: Gavin Ridley <gavin.keith.ridley@gmail.com>
Date: Thu, 16 Dec 2021 14:41:03 -0500
Subject: [PATCH 1713/2654] pick up on cell edges, not just boundaries

---
 include/openmc/plot.h | 34 +++++++++++++++++++++---
 src/plot.cpp          | 62 ++++++++++++++++++++++++++-----------------
 2 files changed, 67 insertions(+), 29 deletions(-)

diff --git a/include/openmc/plot.h b/include/openmc/plot.h
index af65fb7c3..d9bea700d 100644
--- a/include/openmc/plot.h
+++ b/include/openmc/plot.h
@@ -290,6 +290,24 @@ private:
   void set_pixels(pugi::xml_node node);
   void set_opacities(pugi::xml_node node);
 
+  /* Used for drawing wireframe and colors. We record the list of
+   * surface/cell/material intersections and the corresponding lengths as a ray
+   * traverses the geometry, then color by iterating in reverse.
+   */
+  struct TrackSegment {
+    int id;        // material or cell ID (which is being colored)
+    double length; // length of this track intersection
+
+    /* Recording this allows us to draw edges on the wireframe. For instance
+     * if two surfaces bound a single cell, it allows drawing that sharp edge
+     * where the surfaces intersect.
+     */
+    int surface; // last surface ID intersected in this segment
+    TrackSegment(int id_a, double length_a, int surface_a)
+      : id(id_a), length(length_a), surface(surface_a)
+    {}
+  };
+
   std::array<int, 2> pixels_;       // pixel dimension of resulting image
   double horizontal_field_of_view_ {70.0}; // horiz. f.o.v. in degrees
   Position camera_position_;        // where camera is
@@ -301,10 +319,18 @@ private:
   std::vector<double>
     xs_; // macro cross section values for cell volume rendering
 
-  // If starting the particle from outside the geometry, we have to
-  // find a distance to the boundary in a non-standard surface intersection
-  // check. It's an exhaustive search over surfaces in the top-level universe.
-  static bool advance_to_boundary_from_void(Particle& p);
+  /* If starting the particle from outside the geometry, we have to
+   * find a distance to the boundary in a non-standard surface intersection
+   * check. It's an exhaustive search over surfaces in the top-level universe.
+   */
+  static int advance_to_boundary_from_void(Particle& p);
+
+  /* Checks if a vector of two TrackSegments is equivalent. We define this
+   * to mean not having matching intersection lengths, but rather having
+   * a matching sequence of surface/cell/material intersections.
+   */
+  static bool trackstack_equivalent(const std::vector<TrackSegment>& track1,
+    const std::vector<TrackSegment>& track2);
 };
 
 //===============================================================================
diff --git a/src/plot.cpp b/src/plot.cpp
index 2d5d039cb..372c5a25b 100644
--- a/src/plot.cpp
+++ b/src/plot.cpp
@@ -1025,26 +1025,46 @@ ProjectionPlot::ProjectionPlot(pugi::xml_node node) : PlottableInterface(node)
 }
 
 // Advances to the next boundary from outside the geometry
-bool ProjectionPlot::advance_to_boundary_from_void(Particle& p)
+// Returns -1 if no intersection found, and the surface index
+// if an intersection was found.
+int ProjectionPlot::advance_to_boundary_from_void(Particle& p)
 {
   constexpr double scoot = 1e-5;
   double min_dist = {INFINITY};
   auto coord = p.coord(0);
   Universe* uni = model::universes[model::root_universe].get();
+  int intersected_surface = -1;
   for (auto c_i : uni->cells_) {
     auto dist = model::cells.at(c_i)->distance(coord.r, coord.u, 0, &p);
-    if (dist.first < min_dist)
+    if (dist.first < min_dist) {
       min_dist = dist.first;
+      intersected_surface = dist.second;
+    }
   }
   if (min_dist > 1e300)
-    return false;
+    return -1;
   else { // advance the particle
     for (int j = 0; j < p.n_coord(); ++j)
       p.coord(j).r += (min_dist + scoot) * p.coord(j).u;
-    return true;
+    return intersected_surface;
   }
 }
 
+bool ProjectionPlot::trackstack_equivalent(
+  const std::vector<TrackSegment>& track1,
+  const std::vector<TrackSegment>& track2)
+{
+  if (track1.size() != track2.size())
+    return false;
+  for (int i = 0; i < track1.size(); ++i) {
+    if (track1[i].id != track2[i].id ||
+        track1[i].surface != track2[i].surface) {
+      return false;
+    }
+  }
+  return true;
+}
+
 void ProjectionPlot::create_output() const
 {
   // Get centerline vector for camera-to-model. We create vectors around this
@@ -1085,12 +1105,6 @@ void ProjectionPlot::create_output() const
   s.u.z = 0.0;
   p.from_source(&s);
 
-  struct TrackSegment {
-    int id;        // material or cell ID (which is being colored)
-    double length; // length of this track intersection
-    TrackSegment(int id_a, double length_a) : id(id_a), length(length_a) {}
-  };
-
   /* Holds all of the track segments for the current rendered line of pixels.
    * old_segments holds a copy of this_line_segments from the previous line.
    * By holding both we can check if the cell/material intersection stack
@@ -1120,16 +1134,26 @@ void ProjectionPlot::create_output() const
       const int max_intersections = 1000000;
 
       this_line_segments[horiz].clear();
+      int first_surface = -1; // surface first passed when entering the model
+      bool first_inside_model = true; // false after entering the model
       while (intersection_found) {
         bool inside_cell = exhaustive_find_cell(p);
         if (inside_cell) {
+
+          // This allows drawing wireframes with surface intersection
+          // edges on the model boundary for the same cell.
+          if (first_inside_model) {
+            this_line_segments[horiz].emplace_back(0, 0.0, first_surface);
+            first_inside_model = false;
+          }
+
           hitsomething = true;
           intersection_found = true;
           auto dist = distance_to_boundary(p);
           this_line_segments[horiz].emplace_back(
             color_by_ == PlotColorBy::mats ? p.material()
                                            : p.coord(p.n_coord() - 1).cell,
-            dist.distance);
+            dist.distance, dist.surface_index);
 
           // Advance particle
           for (int lev = 0; lev < p.n_coord(); ++lev) {
@@ -1145,7 +1169,8 @@ void ProjectionPlot::create_output() const
           }
 
         } else {
-          intersection_found = advance_to_boundary_from_void(p);
+          first_surface = advance_to_boundary_from_void(p);
+          intersection_found = first_surface != -1; // -1 if no surface found
         }
         loop_counter++;
         if (loop_counter > max_intersections)
@@ -1169,19 +1194,6 @@ void ProjectionPlot::create_output() const
         data(horiz, vert) = result;
       }
 
-      auto trackstack_equivalent =
-        [](const std::vector<TrackSegment>& track1,
-          const std::vector<TrackSegment>& track2) -> bool {
-        if (track1.size() != track2.size())
-          return false;
-        for (int i = 0; i < track1.size(); ++i) {
-          if (track1[i].id != track2[i].id) {
-            return false;
-          }
-        }
-        return true;
-      };
-
       // Check to draw wireframe
       bool draw_wireframe = false;
       if (horiz > 0) {

From d51fd873ab3d4b6fdac00111f6b573ae713bfa4d Mon Sep 17 00:00:00 2001
From: Gavin Ridley <gavin.keith.ridley@gmail.com>
Date: Thu, 16 Dec 2021 15:10:16 -0500
Subject: [PATCH 1714/2654] read user-provided plot names, also more
 sophisticated file extension checking

---
 include/openmc/plot.h |  1 +
 src/plot.cpp          | 44 +++++++++++++++++++++++++++++++++++++------
 2 files changed, 39 insertions(+), 6 deletions(-)

diff --git a/include/openmc/plot.h b/include/openmc/plot.h
index d9bea700d..d35259dba 100644
--- a/include/openmc/plot.h
+++ b/include/openmc/plot.h
@@ -284,6 +284,7 @@ public:
   virtual void print_info() const;
 
 private:
+  void set_output_path(pugi::xml_node plot_node);
   void set_look_at(pugi::xml_node node);
   void set_camera_position(pugi::xml_node node);
   void set_field_of_view(pugi::xml_node node);
diff --git a/src/plot.cpp b/src/plot.cpp
index 372c5a25b..a63a16e0e 100644
--- a/src/plot.cpp
+++ b/src/plot.cpp
@@ -290,6 +290,17 @@ void PlottableInterface::set_id(pugi::xml_node plot_node)
   }
 }
 
+// Checks if png or ppm is already present
+bool file_extension_present(
+  const std::string& filename, const std::string& extension)
+{
+  std::string file_extension_if_present =
+    filename.substr(filename.find_last_of(".") + 1);
+  if (file_extension_if_present == extension)
+    return true;
+  return false;
+}
+
 void Plot::set_output_path(pugi::xml_node plot_node)
 {
   // Set output file path
@@ -304,13 +315,16 @@ void Plot::set_output_path(pugi::xml_node plot_node)
   switch (type_) {
   case PlotType::slice:
 #ifdef USE_LIBPNG
-    filename.append(".png");
+    if (!file_extension_present(filename, "png"))
+      filename.append(".png");
 #else
-    filename.append(".ppm");
+    if (!file_extension_present(filename, "ppm"))
+      filename.append(".ppm");
 #endif
     break;
   case PlotType::voxel:
-    filename.append(".h5");
+    if (!file_extension_present(filename, "h5"))
+      filename.append(".h5");
     break;
   }
 
@@ -1013,15 +1027,33 @@ RGBColor random_color(void)
 
 ProjectionPlot::ProjectionPlot(pugi::xml_node node) : PlottableInterface(node)
 {
+  set_output_path(node);
   set_look_at(node);
   set_camera_position(node);
   set_field_of_view(node);
   set_pixels(node);
   set_opacities(node);
+}
 
-  // TODO naming stuff...
-  std::string name = "projection" + std::to_string(id()) + ".png";
-  path_plot_ = name;
+void ProjectionPlot::set_output_path(pugi::xml_node node)
+{
+  // Set output file path
+  std::string filename;
+
+  if (check_for_node(node, "filename")) {
+    filename = get_node_value(node, "filename");
+  } else {
+    filename = fmt::format("plot_{}", id());
+  }
+
+#ifdef USE_LIBPNG
+  if (!file_extension_present(filename, "png"))
+    filename.append(".png");
+#else
+  if (!file_extension_present(filename, "ppm"))
+    filename.append(".ppm");
+#endif
+  path_plot_ = filename;
 }
 
 // Advances to the next boundary from outside the geometry

From 76cc722090f4cd856131cb48affc69eebed88cbd Mon Sep 17 00:00:00 2001
From: Gavin Ridley <gavin.keith.ridley@gmail.com>
Date: Thu, 16 Dec 2021 17:24:32 -0500
Subject: [PATCH 1715/2654] add option to do orthographic projection

---
 include/openmc/plot.h     | 13 +++++++--
 include/openmc/position.h |  5 ++++
 src/plot.cpp              | 59 +++++++++++++++++++++++++++++++++------
 3 files changed, 65 insertions(+), 12 deletions(-)

diff --git a/include/openmc/plot.h b/include/openmc/plot.h
index d35259dba..c4476af41 100644
--- a/include/openmc/plot.h
+++ b/include/openmc/plot.h
@@ -274,9 +274,6 @@ public:
 
 class ProjectionPlot : public PlottableInterface {
 
-  // TODO add optional choice between perspective or orthographic
-  // TODO add optionl to turn off wireframe
-
 public:
   ProjectionPlot(pugi::xml_node plot);
 
@@ -290,6 +287,7 @@ private:
   void set_field_of_view(pugi::xml_node node);
   void set_pixels(pugi::xml_node node);
   void set_opacities(pugi::xml_node node);
+  void set_orthographic_width(pugi::xml_node node);
 
   /* Used for drawing wireframe and colors. We record the list of
    * surface/cell/material intersections and the corresponding lengths as a ray
@@ -316,6 +314,12 @@ private:
   Direction up_ {0.0, 0.0, 1.0};    // which way is up
   bool wireframe_; // draw wireframe around ID boundaries (material or cell
                    // based on color_by)
+
+  /* The horizontal thickness, if using an orthographic projection.
+   * If set to zero, we assume using a perspective projection.
+   */
+  double orthographic_width_ {0.0};
+
   RGBColor wireframe_color_ {BLACK}; // wireframe color
   std::vector<double>
     xs_; // macro cross section values for cell volume rendering
@@ -332,6 +336,9 @@ private:
    */
   static bool trackstack_equivalent(const std::vector<TrackSegment>& track1,
     const std::vector<TrackSegment>& track2);
+
+  // Closed form 3x3 matrix inversion
+  static std::vector<double> invert_matrix(const std::vector<double>& input);
 };
 
 //===============================================================================
diff --git a/include/openmc/position.h b/include/openmc/position.h
index 4fde420cc..0200cda3b 100644
--- a/include/openmc/position.h
+++ b/include/openmc/position.h
@@ -83,6 +83,11 @@ struct Position {
     return x * other.x + y * other.y + z * other.z;
   }
   inline double norm() const { return std::sqrt(x * x + y * y + z * z); }
+  inline Position cross(Position other) const
+  {
+    return {y * other.z - z * other.y, z * other.x - x * other.z,
+      x * other.y - y * other.x};
+  }
 
   //! Reflect a direction across a normal vector
   //! \param[in] other Vector to reflect across
diff --git a/src/plot.cpp b/src/plot.cpp
index a63a16e0e..67e36c448 100644
--- a/src/plot.cpp
+++ b/src/plot.cpp
@@ -1033,6 +1033,12 @@ ProjectionPlot::ProjectionPlot(pugi::xml_node node) : PlottableInterface(node)
   set_field_of_view(node);
   set_pixels(node);
   set_opacities(node);
+  set_orthographic_width(node);
+
+  if (check_for_node(node, "orthographic_width") &&
+      check_for_node(node, "field_of_view"))
+    fatal_error("orthographic_width and field_of_view are mutually exclusive "
+                "parameters.");
 }
 
 void ProjectionPlot::set_output_path(pugi::xml_node node)
@@ -1101,15 +1107,26 @@ void ProjectionPlot::create_output() const
 {
   // Get centerline vector for camera-to-model. We create vectors around this
   // that form a pixel array, and then trace rays along that.
+  auto up = up_ / up_.norm();
   Direction looking_direction = look_at_ - camera_position_;
   looking_direction /= looking_direction.norm();
+  if (std::abs(std::abs(looking_direction.dot(up)) - 1.0) < 1e-9)
+    fatal_error("Up vector cannot align with vector between camera position "
+                "and look_at!");
+  Direction cam_yaxis = looking_direction.cross(up);
+  cam_yaxis /= cam_yaxis.norm();
+  Direction cam_zaxis = cam_yaxis.cross(looking_direction);
+  cam_zaxis /= cam_zaxis.norm();
+
+  // Transformation matrix for directions
+  std::vector<double> camera_to_model = {looking_direction.x, cam_yaxis.x,
+    cam_zaxis.x, looking_direction.y, cam_yaxis.y, cam_zaxis.y,
+    looking_direction.z, cam_yaxis.z, cam_zaxis.z};
 
   // Now we convert to the polar coordinate system with the polar angle
   // measuring the angle from the vector up_. Phi is the rotation about up_. For
   // now, up_ is hard-coded to be +z.
   constexpr double DEGREE_TO_RADIAN = M_PI / 180.0;
-  double phi0 = std::atan2(looking_direction.y, looking_direction.x);
-  double mu0 = std::acos(looking_direction.z);
   double horiz_fov_radians = horizontal_field_of_view_ * DEGREE_TO_RADIAN;
   double p0 = static_cast<double>(pixels_[0]);
   double p1 = static_cast<double>(pixels_[1]);
@@ -1154,11 +1171,25 @@ void ProjectionPlot::create_output() const
   for (int vert = 0; vert < pixels_[1]; ++vert) {
     old_segments = this_line_segments;
     for (int horiz = 0; horiz < pixels_[0]; ++horiz) {
-      double this_phi = phi0 - horiz_fov_radians / 2.0 + dphi * horiz;
-      double this_mu = mu0 - vert_fov_radians / 2.0 + dmu * vert;
-      s.u.x = std::cos(this_phi) * std::sin(this_mu);
-      s.u.y = std::sin(this_phi) * std::sin(this_mu);
-      s.u.z = std::cos(this_mu);
+
+      // Generate the starting position/direction of the ray
+      if (orthographic_width_ == 0.0) { // perspective projection
+        double this_phi = -horiz_fov_radians / 2.0 + dphi * horiz;
+        double this_mu = -vert_fov_radians / 2.0 + dmu * vert + M_PI / 2.0;
+        Direction camera_local_vec;
+        camera_local_vec.x = std::cos(this_phi) * std::sin(this_mu);
+        camera_local_vec.y = std::sin(this_phi) * std::sin(this_mu);
+        camera_local_vec.z = std::cos(this_mu);
+        s.u = camera_local_vec.rotate(camera_to_model);
+      } else { // orthographic projection
+        s.u = looking_direction;
+
+        double x_pix_coord = (static_cast<double>(horiz) - p0 / 2.0) / p0;
+        double y_pix_coord = (static_cast<double>(vert) - p1 / 2.0) / p0;
+        s.r = camera_position_ + cam_yaxis * x_pix_coord * orthographic_width_ +
+              cam_zaxis * y_pix_coord * orthographic_width_;
+      }
+
       p.from_source(&s); // put particle at camera
       bool hitsomething = false;
       bool intersection_found = true;
@@ -1238,7 +1269,7 @@ void ProjectionPlot::create_output() const
           draw_wireframe || !trackstack_equivalent(
                               this_line_segments[horiz], old_segments[horiz]);
       }
-      if (draw_wireframe) {
+      if (draw_wireframe && wireframe_) {
         data(horiz, vert) = wireframe_color_;
       }
     }
@@ -1263,7 +1294,6 @@ void ProjectionPlot::print_info() const
 
 void ProjectionPlot::set_opacities(pugi::xml_node node)
 {
-
   xs_.resize(colors_.size(), 1e6); // set to large value for opaque by default
 
   for (auto cn : node.children("color")) {
@@ -1292,6 +1322,17 @@ void ProjectionPlot::set_opacities(pugi::xml_node node)
   }
 }
 
+void ProjectionPlot::set_orthographic_width(pugi::xml_node node)
+{
+  if (check_for_node(node, "orthographic_width")) {
+    double orthographic_width =
+      std::stod(get_node_value(node, "orthographic_width", true));
+    if (orthographic_width < 0.0)
+      fatal_error("Requires positive orthographic_width");
+    orthographic_width_ = orthographic_width;
+  }
+}
+
 void ProjectionPlot::set_pixels(pugi::xml_node node)
 {
   vector<int> pxls = get_node_array<int>(node, "pixels");

From a030aaa59dd736d4a7304f622f223fcc81deff2d Mon Sep 17 00:00:00 2001
From: Gavin Ridley <gavin.keith.ridley@gmail.com>
Date: Thu, 16 Dec 2021 18:02:14 -0500
Subject: [PATCH 1716/2654] fix projection plot tests

---
 include/openmc/plot.h                         |  4 ++--
 .../plot_projections/geometry.xml             |  2 +-
 .../plot_projections/plots.xml                | 24 ++++++++++++++++++-
 .../plot_projections/results_true.dat         |  2 +-
 .../regression_tests/plot_projections/test.py |  2 +-
 5 files changed, 28 insertions(+), 6 deletions(-)

diff --git a/include/openmc/plot.h b/include/openmc/plot.h
index c4476af41..7e85996de 100644
--- a/include/openmc/plot.h
+++ b/include/openmc/plot.h
@@ -312,8 +312,8 @@ private:
   Position camera_position_;        // where camera is
   Position look_at_;                // point camera is centered looking at
   Direction up_ {0.0, 0.0, 1.0};    // which way is up
-  bool wireframe_; // draw wireframe around ID boundaries (material or cell
-                   // based on color_by)
+  bool wireframe_ {true}; // draw wireframe around ID boundaries (material or
+                          // cell based on color_by)
 
   /* The horizontal thickness, if using an orthographic projection.
    * If set to zero, we assume using a perspective projection.
diff --git a/tests/regression_tests/plot_projections/geometry.xml b/tests/regression_tests/plot_projections/geometry.xml
index 982187644..a648dfe92 100644
--- a/tests/regression_tests/plot_projections/geometry.xml
+++ b/tests/regression_tests/plot_projections/geometry.xml
@@ -4,7 +4,7 @@
   <surface id="1" type="z-cylinder" coeffs="0 0 2" />
   <surface id="2" type="z-cylinder" coeffs="0 0 5" />
   <surface id="3" type="z-cylinder" coeffs="0 0 10" boundary="vacuum" />
-  <surface id="4" type="y-plane" coeffs="5" boundary="vacuum" />
+  <surface id="4" type="y-plane" coeffs="5.001" boundary="vacuum" />
   <surface id="5" type="z-plane" coeffs="-5" boundary="vacuum" />
   <surface id="6" type="z-plane" coeffs="5" boundary="vacuum" />
 
diff --git a/tests/regression_tests/plot_projections/plots.xml b/tests/regression_tests/plot_projections/plots.xml
index 2d22c8865..b25f177b0 100644
--- a/tests/regression_tests/plot_projections/plots.xml
+++ b/tests/regression_tests/plot_projections/plots.xml
@@ -13,11 +13,12 @@
 
   <plot id="2" type="projection">
     <look_at>0. 0. 0.</look_at>
-    <camera_position>20. 20. 20.</camera_position>
+    <camera_position>10. 10. 0.</camera_position>
     <width>25 25</width>
     <pixels>200 200</pixels>
     <mask components="1 3" background="255 255 255" />
     <field_of_view>90</field_of_view>
+    <filename>example1</filename>
   </plot>
 
   <plot id="3" color_by="material" type="projection">
@@ -25,6 +26,27 @@
     <camera_position>20. 20. 20.</camera_position>
     <pixels>200 200</pixels>
     <background>240 240 240</background>
+    <filename>example2.png</filename>
+  </plot>
+
+  <plot id="4" color_by="material" type="projection">
+    <look_at>0. 0. 0.</look_at>
+    <camera_position>0. 10.0 20.</camera_position>
+    <pixels>200 200</pixels>
+    <background>110 240 240</background>
+    <filename>example3.png</filename>
+  </plot>
+
+  <plot id="5" type="projection">
+    <look_at>0. 0. 0.</look_at>
+    <camera_position>10. 10. 10.</camera_position>
+    <width>25 25</width>
+    <pixels>200 200</pixels>
+    <orthographic_width>25.0</orthographic_width>
+    <filename>orthographic_example1</filename>
+    <color id="1" rgb="0 0 255" xs="10"/>
+    <color id="2" rgb="0 255 0" xs="0.1"/>
+    <color id="3" rgb="255 0 0" xs="1.0"/>
   </plot>
 
 </plots>
diff --git a/tests/regression_tests/plot_projections/results_true.dat b/tests/regression_tests/plot_projections/results_true.dat
index 45e097f62..004b752eb 100644
--- a/tests/regression_tests/plot_projections/results_true.dat
+++ b/tests/regression_tests/plot_projections/results_true.dat
@@ -1 +1 @@
-8231bc2d60bee9df464fbf3c5b2ea611dcd0f10232f6a9b04f58fc5226716acb31580578f74d194f8ab2df1848ea1556621bf997e1d1562d5eb8471def2a5f24
\ No newline at end of file
+5fdff140078cd45efe7a507feeb06c00fa735820157a9a5a066905468b1052640c3b81065f968f6280c05eef7e9e4305a631e0e0aa2e467c9bd9d4f1a097ab09
\ No newline at end of file
diff --git a/tests/regression_tests/plot_projections/test.py b/tests/regression_tests/plot_projections/test.py
index 2e1f4cd8d..972e0e0d7 100644
--- a/tests/regression_tests/plot_projections/test.py
+++ b/tests/regression_tests/plot_projections/test.py
@@ -56,5 +56,5 @@ class PlotTestHarness(TestHarness):
 
 
 def test_plot():
-    harness = PlotTestHarness(('projection1.png', 'projection2.png', 'projection3.png'))
+    harness = PlotTestHarness(('plot_1.png', 'example1.png', 'example3.png', 'orthographic_example1.png'))
     harness.main()

From a832fc8b9408056830dd5f17d51b08003a21ac1d Mon Sep 17 00:00:00 2001
From: Gavin Ridley <gavin.keith.ridley@gmail.com>
Date: Fri, 17 Dec 2021 17:11:49 -0500
Subject: [PATCH 1717/2654] adjustable wireframe thickness

---
 include/openmc/plot.h |  6 ++++--
 src/plot.cpp          | 41 +++++++++++++++++++++++++++++++++++++++--
 2 files changed, 43 insertions(+), 4 deletions(-)

diff --git a/include/openmc/plot.h b/include/openmc/plot.h
index 7e85996de..a58480c6b 100644
--- a/include/openmc/plot.h
+++ b/include/openmc/plot.h
@@ -288,6 +288,7 @@ private:
   void set_pixels(pugi::xml_node node);
   void set_opacities(pugi::xml_node node);
   void set_orthographic_width(pugi::xml_node node);
+  void set_wireframe_thickness(pugi::xml_node node);
 
   /* Used for drawing wireframe and colors. We record the list of
    * surface/cell/material intersections and the corresponding lengths as a ray
@@ -312,14 +313,15 @@ private:
   Position camera_position_;        // where camera is
   Position look_at_;                // point camera is centered looking at
   Direction up_ {0.0, 0.0, 1.0};    // which way is up
-  bool wireframe_ {true}; // draw wireframe around ID boundaries (material or
-                          // cell based on color_by)
 
   /* The horizontal thickness, if using an orthographic projection.
    * If set to zero, we assume using a perspective projection.
    */
   double orthographic_width_ {0.0};
 
+  // Thickness of the wireframe lines. Can set to zero for no wireframe.
+  int wireframe_thickness_ {1};
+
   RGBColor wireframe_color_ {BLACK}; // wireframe color
   std::vector<double>
     xs_; // macro cross section values for cell volume rendering
diff --git a/src/plot.cpp b/src/plot.cpp
index 67e36c448..8e2816005 100644
--- a/src/plot.cpp
+++ b/src/plot.cpp
@@ -1034,6 +1034,7 @@ ProjectionPlot::ProjectionPlot(pugi::xml_node node) : PlottableInterface(node)
   set_pixels(node);
   set_opacities(node);
   set_orthographic_width(node);
+  set_wireframe_thickness(node);
 
   if (check_for_node(node, "orthographic_width") &&
       check_for_node(node, "field_of_view"))
@@ -1138,6 +1139,11 @@ void ProjectionPlot::create_output() const
   size_t height = pixels_[1];
   ImageData data({width, height}, not_found_);
 
+  // This array marks where the initial wireframe was drawn.
+  // We convolve it with a filter that gets adjusted with the
+  // wireframe thickness in order to thicken the lines.
+  xt::xtensor<int, 2> wireframe_initial({width, height}, 0);
+
   // Loop over horizontal lines (vert field of view)
   SourceSite s; // Where particle starts from (camera)
   s.E = 1;
@@ -1269,11 +1275,31 @@ void ProjectionPlot::create_output() const
           draw_wireframe || !trackstack_equivalent(
                               this_line_segments[horiz], old_segments[horiz]);
       }
-      if (draw_wireframe && wireframe_) {
-        data(horiz, vert) = wireframe_color_;
+      if (draw_wireframe) {
+        wireframe_initial(horiz, vert) = 1;
       }
     }
   }
+
+  // Now thicken the wireframe lines and apply them to our image
+  for (int vert = 0; vert < pixels_[1]; ++vert) {
+    for (int horiz = 0; horiz < pixels_[0]; ++horiz) {
+      if (wireframe_initial(horiz, vert)) {
+        if (wireframe_thickness_ == 1)
+          data(horiz, vert) = wireframe_color_;
+        for (int i = -wireframe_thickness_ / 2; i < wireframe_thickness_ / 2;
+             ++i)
+          for (int j = -wireframe_thickness_ / 2; j < wireframe_thickness_ / 2;
+               ++j)
+            if (i * i + j * j < wireframe_thickness_ * wireframe_thickness_) {
+              if (horiz + i >= 0 && horiz + i < pixels_[0] && vert + j >= 0 &&
+                  vert + j < pixels_[1])
+                data(horiz + i, vert + j) = wireframe_color_;
+            }
+      }
+    }
+  }
+
 #ifdef USE_LIBPNG
   output_png(path_plot(), data);
 #else
@@ -1333,6 +1359,17 @@ void ProjectionPlot::set_orthographic_width(pugi::xml_node node)
   }
 }
 
+void ProjectionPlot::set_wireframe_thickness(pugi::xml_node node)
+{
+  if (check_for_node(node, "wireframe_thickness")) {
+    int wireframe_thickness =
+      std::stoi(get_node_value(node, "wireframe_thickness", true));
+    if (wireframe_thickness < 0)
+      fatal_error("Requires non-negative wireframe thickness");
+    wireframe_thickness_ = wireframe_thickness;
+  }
+}
+
 void ProjectionPlot::set_pixels(pugi::xml_node node)
 {
   vector<int> pxls = get_node_array<int>(node, "pixels");

From c9e296d2a98c93bb6fdf169be8e25e52ed60e586 Mon Sep 17 00:00:00 2001
From: Gavin Ridley <gavin.keith.ridley@gmail.com>
Date: Fri, 17 Dec 2021 17:12:55 -0500
Subject: [PATCH 1718/2654] update tests

---
 tests/regression_tests/plot_projections/plots.xml        | 2 ++
 tests/regression_tests/plot_projections/results_true.dat | 2 +-
 2 files changed, 3 insertions(+), 1 deletion(-)

diff --git a/tests/regression_tests/plot_projections/plots.xml b/tests/regression_tests/plot_projections/plots.xml
index b25f177b0..11fa27211 100644
--- a/tests/regression_tests/plot_projections/plots.xml
+++ b/tests/regression_tests/plot_projections/plots.xml
@@ -18,6 +18,7 @@
     <pixels>200 200</pixels>
     <mask components="1 3" background="255 255 255" />
     <field_of_view>90</field_of_view>
+    <wireframe_thickness>4</wireframe_thickness>
     <filename>example1</filename>
   </plot>
 
@@ -43,6 +44,7 @@
     <width>25 25</width>
     <pixels>200 200</pixels>
     <orthographic_width>25.0</orthographic_width>
+    <wireframe_thickness>2</wireframe_thickness>
     <filename>orthographic_example1</filename>
     <color id="1" rgb="0 0 255" xs="10"/>
     <color id="2" rgb="0 255 0" xs="0.1"/>
diff --git a/tests/regression_tests/plot_projections/results_true.dat b/tests/regression_tests/plot_projections/results_true.dat
index 004b752eb..638981dc7 100644
--- a/tests/regression_tests/plot_projections/results_true.dat
+++ b/tests/regression_tests/plot_projections/results_true.dat
@@ -1 +1 @@
-5fdff140078cd45efe7a507feeb06c00fa735820157a9a5a066905468b1052640c3b81065f968f6280c05eef7e9e4305a631e0e0aa2e467c9bd9d4f1a097ab09
\ No newline at end of file
+96690b9e545d24b4e922aa30bffdd09863315e4a10301a5402c1b9f196a5ad67a1c8ac00231a1eeadb5d9c4f87cccd13bd86105765b002572acc4a33a32b070f
\ No newline at end of file

From 030c3af9e43cba25587510558f538738dde1757b Mon Sep 17 00:00:00 2001
From: Gavin Ridley <gavin.keith.ridley@gmail.com>
Date: Sun, 19 Dec 2021 01:10:51 -0500
Subject: [PATCH 1719/2654] parallelization of projection plots almost works
 except edge case

---
 include/openmc/plot.h |   7 --
 src/plot.cpp          | 279 +++++++++++++++++++++++++-----------------
 2 files changed, 170 insertions(+), 116 deletions(-)

diff --git a/include/openmc/plot.h b/include/openmc/plot.h
index a58480c6b..b076c0870 100644
--- a/include/openmc/plot.h
+++ b/include/openmc/plot.h
@@ -235,13 +235,6 @@ T SlicePlotBase::get_map() const
   return data;
 }
 
-// Provides methods and data for controlling plot colors
-class PlotColorMixin {
-protected:
-
-public:
-};
-
 // Represents either a voxel or pixel plot
 class Plot : public PlottableInterface, public SlicePlotBase {
 
diff --git a/src/plot.cpp b/src/plot.cpp
index 8e2816005..c2911f872 100644
--- a/src/plot.cpp
+++ b/src/plot.cpp
@@ -1144,22 +1144,6 @@ void ProjectionPlot::create_output() const
   // wireframe thickness in order to thicken the lines.
   xt::xtensor<int, 2> wireframe_initial({width, height}, 0);
 
-  // Loop over horizontal lines (vert field of view)
-  SourceSite s; // Where particle starts from (camera)
-  s.E = 1;
-  s.wgt = 1;
-  s.delayed_group = 0;
-  s.particle = ParticleType::photon; // just has to be something reasonable
-  s.parent_id = 1;
-  s.progeny_id = 2;
-  s.r = camera_position_;
-
-  Particle p;
-  s.u.x = 1.0;
-  s.u.y = 0.0;
-  s.u.z = 0.0;
-  p.from_source(&s);
-
   /* Holds all of the track segments for the current rendered line of pixels.
    * old_segments holds a copy of this_line_segments from the previous line.
    * By holding both we can check if the cell/material intersection stack
@@ -1171,115 +1155,192 @@ void ProjectionPlot::create_output() const
    * Note that a vector of vectors is required rather than a 2-tensor,
    * since the stack size varies within each column.
    */
-  std::vector<std::vector<TrackSegment>> this_line_segments(pixels_[0]);
+#ifdef _OPENMP
+  const int n_threads = omp_get_max_threads();
+#else
+  const int n_threads = 1;
+#endif
+  std::vector<std::vector<std::vector<TrackSegment>>> this_line_segments(
+    omp_get_max_threads());
+  for (int t = 0; t < omp_get_max_threads(); ++t) {
+    this_line_segments[t].resize(pixels_[0]);
+  }
+
+  // The last thread writes to this, and the first thread reads from it.
   std::vector<std::vector<TrackSegment>> old_segments(pixels_[0]);
 
-  for (int vert = 0; vert < pixels_[1]; ++vert) {
-    old_segments = this_line_segments;
-    for (int horiz = 0; horiz < pixels_[0]; ++horiz) {
+#pragma omp parallel
+  {
 
-      // Generate the starting position/direction of the ray
-      if (orthographic_width_ == 0.0) { // perspective projection
-        double this_phi = -horiz_fov_radians / 2.0 + dphi * horiz;
-        double this_mu = -vert_fov_radians / 2.0 + dmu * vert + M_PI / 2.0;
-        Direction camera_local_vec;
-        camera_local_vec.x = std::cos(this_phi) * std::sin(this_mu);
-        camera_local_vec.y = std::sin(this_phi) * std::sin(this_mu);
-        camera_local_vec.z = std::cos(this_mu);
-        s.u = camera_local_vec.rotate(camera_to_model);
-      } else { // orthographic projection
-        s.u = looking_direction;
+#ifdef _OPENMP
+    const int n_threads = omp_get_max_threads();
+    const int tid = omp_get_thread_num();
+#else
+    int n_threads = 1;
+    int tid = 0;
+#endif
 
-        double x_pix_coord = (static_cast<double>(horiz) - p0 / 2.0) / p0;
-        double y_pix_coord = (static_cast<double>(vert) - p1 / 2.0) / p0;
-        s.r = camera_position_ + cam_yaxis * x_pix_coord * orthographic_width_ +
-              cam_zaxis * y_pix_coord * orthographic_width_;
-      }
+    SourceSite s; // Where particle starts from (camera)
+    s.E = 1;
+    s.wgt = 1;
+    s.delayed_group = 0;
+    s.particle = ParticleType::photon; // just has to be something reasonable
+    s.parent_id = 1;
+    s.progeny_id = 2;
+    s.r = camera_position_;
 
-      p.from_source(&s); // put particle at camera
-      bool hitsomething = false;
-      bool intersection_found = true;
-      int loop_counter = 0;
-      const int max_intersections = 1000000;
+    Particle p;
+    s.u.x = 1.0;
+    s.u.y = 0.0;
+    s.u.z = 0.0;
+    p.from_source(&s);
 
-      this_line_segments[horiz].clear();
-      int first_surface = -1; // surface first passed when entering the model
-      bool first_inside_model = true; // false after entering the model
-      while (intersection_found) {
-        bool inside_cell = exhaustive_find_cell(p);
-        if (inside_cell) {
+    int vert = omp_get_thread_num();
+    for (int iter = 0; iter <= pixels_[1] / n_threads; iter++) {
+      if (vert < pixels_[1]) {
 
-          // This allows drawing wireframes with surface intersection
-          // edges on the model boundary for the same cell.
-          if (first_inside_model) {
-            this_line_segments[horiz].emplace_back(0, 0.0, first_surface);
-            first_inside_model = false;
+        // Save bottom line of current work chunk to compare against later
+        if (tid == n_threads - 1)
+          old_segments = this_line_segments[n_threads - 1];
+
+        for (int horiz = 0; horiz < pixels_[0]; ++horiz) {
+
+          // Generate the starting position/direction of the ray
+          if (orthographic_width_ == 0.0) { // perspective projection
+            double this_phi = -horiz_fov_radians / 2.0 + dphi * horiz;
+            double this_mu = -vert_fov_radians / 2.0 + dmu * vert + M_PI / 2.0;
+            Direction camera_local_vec;
+            camera_local_vec.x = std::cos(this_phi) * std::sin(this_mu);
+            camera_local_vec.y = std::sin(this_phi) * std::sin(this_mu);
+            camera_local_vec.z = std::cos(this_mu);
+            s.u = camera_local_vec.rotate(camera_to_model);
+          } else { // orthographic projection
+            s.u = looking_direction;
+
+            double x_pix_coord = (static_cast<double>(horiz) - p0 / 2.0) / p0;
+            double y_pix_coord = (static_cast<double>(vert) - p1 / 2.0) / p0;
+            s.r = camera_position_ +
+                  cam_yaxis * x_pix_coord * orthographic_width_ +
+                  cam_zaxis * y_pix_coord * orthographic_width_;
           }
 
-          hitsomething = true;
-          intersection_found = true;
-          auto dist = distance_to_boundary(p);
-          this_line_segments[horiz].emplace_back(
-            color_by_ == PlotColorBy::mats ? p.material()
-                                           : p.coord(p.n_coord() - 1).cell,
-            dist.distance, dist.surface_index);
+          p.from_source(&s); // put particle at camera
+          bool hitsomething = false;
+          bool intersection_found = true;
+          int loop_counter = 0;
+          const int max_intersections = 1000000;
 
-          // Advance particle
-          for (int lev = 0; lev < p.n_coord(); ++lev) {
-            p.coord(lev).r += dist.distance * p.coord(lev).u;
-          }
-          p.surface() = dist.surface_index;
-          p.n_coord_last() = p.n_coord();
-          p.n_coord() = dist.coord_level;
-          if (dist.lattice_translation[0] != 0 ||
-              dist.lattice_translation[1] != 0 ||
-              dist.lattice_translation[2] != 0) {
-            cross_lattice(p, dist);
+          this_line_segments[tid][horiz].clear();
+
+          int first_surface =
+            -1; // surface first passed when entering the model
+          bool first_inside_model = true; // false after entering the model
+          while (intersection_found) {
+            bool inside_cell = exhaustive_find_cell(p);
+            if (inside_cell) {
+
+              // This allows drawing wireframes with surface intersection
+              // edges on the model boundary for the same cell.
+              if (first_inside_model) {
+                this_line_segments[tid][horiz].emplace_back(
+                  0, 0.0, first_surface);
+                first_inside_model = false;
+              }
+
+              hitsomething = true;
+              intersection_found = true;
+              auto dist = distance_to_boundary(p);
+              this_line_segments[tid][horiz].emplace_back(
+                color_by_ == PlotColorBy::mats ? p.material()
+                                               : p.coord(p.n_coord() - 1).cell,
+                dist.distance, dist.surface_index);
+
+              // Advance particle
+              for (int lev = 0; lev < p.n_coord(); ++lev) {
+                p.coord(lev).r += dist.distance * p.coord(lev).u;
+              }
+              p.surface() = dist.surface_index;
+              p.n_coord_last() = p.n_coord();
+              p.n_coord() = dist.coord_level;
+              if (dist.lattice_translation[0] != 0 ||
+                  dist.lattice_translation[1] != 0 ||
+                  dist.lattice_translation[2] != 0) {
+                cross_lattice(p, dist);
+              }
+
+            } else {
+              first_surface = advance_to_boundary_from_void(p);
+              intersection_found =
+                first_surface != -1; // -1 if no surface found
+            }
+            loop_counter++;
+            if (loop_counter > max_intersections)
+              fatal_error("Infinite loop in projection plot");
           }
 
-        } else {
-          first_surface = advance_to_boundary_from_void(p);
-          intersection_found = first_surface != -1; // -1 if no surface found
+          // Now color the pixel based on what we have intersected...
+          // Loops backwards over intersections.
+          Position current_color(
+            not_found_.red, not_found_.green, not_found_.blue);
+          const auto& segments = this_line_segments[tid][horiz];
+          for (unsigned i = segments.size(); i-- > 0;) {
+            int colormap_idx = segments[i].id;
+            RGBColor seg_color = colors_[colormap_idx];
+            Position seg_color_vec(
+              seg_color.red, seg_color.green, seg_color.blue);
+            double mixing = std::exp(-xs_[colormap_idx] * segments[i].length);
+            current_color =
+              current_color * mixing + (1.0 - mixing) * seg_color_vec;
+            RGBColor result;
+            result.red = static_cast<uint8_t>(current_color.x);
+            result.green = static_cast<uint8_t>(current_color.y);
+            result.blue = static_cast<uint8_t>(current_color.z);
+            data(horiz, vert) = result;
+          }
+
+          // Check to draw wireframe in horizontal direction. No inter-thread
+          // comm.
+          if (horiz > 0) {
+            if (!trackstack_equivalent(this_line_segments[tid][horiz],
+                  this_line_segments[tid][horiz - 1])) {
+              wireframe_initial(horiz, vert) = 1;
+            }
+          }
+        }
+      } // end "if" vert in correct range
+
+      // We require a barrier before comparing vertical neighbors' intersection
+      // stacks. i.e. all threads must be done with their line.
+#pragma omp barrier
+
+      // Now that the horizontal line has finished rendering, we can fill in
+      // wireframe entries that require comparison among all the threads. Hence
+      // the omp barrier being used. It has to be OUTSIDE any if blocks!
+      if (vert < pixels_[1]) {
+        // Loop over horizontal pixels, checking intersection stack of upper
+        // neighbor
+
+        const std::vector<std::vector<TrackSegment>>* top_cmp = nullptr;
+        if (tid == 0)
+          top_cmp = &old_segments;
+        else
+          top_cmp = &this_line_segments[tid - 1];
+
+        for (int horiz = 0; horiz < pixels_[0]; ++horiz) {
+          if (!trackstack_equivalent(
+                this_line_segments[tid][horiz], (*top_cmp)[horiz])) {
+            wireframe_initial(horiz, vert) = 1;
+          }
         }
-        loop_counter++;
-        if (loop_counter > max_intersections)
-          fatal_error("Infinite loop in projection plot");
       }
 
-      // Now color the pixel based on what we have intersected...
-      // Loops backwards over intersections.
-      Position current_color(not_found_.red, not_found_.green, not_found_.blue);
-      const auto& segments = this_line_segments[horiz];
-      for (unsigned i = segments.size(); i-- > 0;) {
-        int colormap_idx = segments[i].id;
-        RGBColor seg_color = colors_[colormap_idx];
-        Position seg_color_vec(seg_color.red, seg_color.green, seg_color.blue);
-        double mixing = std::exp(-xs_[colormap_idx] * segments[i].length);
-        current_color = current_color * mixing + (1.0 - mixing) * seg_color_vec;
-        RGBColor result;
-        result.red = static_cast<uint8_t>(current_color.x);
-        result.green = static_cast<uint8_t>(current_color.y);
-        result.blue = static_cast<uint8_t>(current_color.z);
-        data(horiz, vert) = result;
-      }
-
-      // Check to draw wireframe
-      bool draw_wireframe = false;
-      if (horiz > 0) {
-        draw_wireframe =
-          draw_wireframe || !trackstack_equivalent(this_line_segments[horiz],
-                              this_line_segments[horiz - 1]);
-      }
-      if (vert > 0) {
-        draw_wireframe =
-          draw_wireframe || !trackstack_equivalent(
-                              this_line_segments[horiz], old_segments[horiz]);
-      }
-      if (draw_wireframe) {
-        wireframe_initial(horiz, vert) = 1;
-      }
+      // We need another barrier to ensure threads don't proceed to modify their
+      // intersection stacks on that horizontal line while others are
+      // potentially still working on the above.
+#pragma omp barrier
+      vert += n_threads;
     }
-  }
+  } // end omp parallel
 
   // Now thicken the wireframe lines and apply them to our image
   for (int vert = 0; vert < pixels_[1]; ++vert) {

From a0401906cd5c94d6668c902ec8a8447528f478cc Mon Sep 17 00:00:00 2001
From: Gavin Ridley <gavin.keith.ridley@gmail.com>
Date: Sun, 19 Dec 2021 01:21:01 -0500
Subject: [PATCH 1720/2654] parallel projection plotting now matches single
 thread results

---
 src/plot.cpp                                         | 12 ++++++++----
 .../plot_projections/results_true.dat                |  2 +-
 tests/regression_tests/plot_projections/test.py      |  2 +-
 3 files changed, 10 insertions(+), 6 deletions(-)

diff --git a/src/plot.cpp b/src/plot.cpp
index c2911f872..f7d1224f2 100644
--- a/src/plot.cpp
+++ b/src/plot.cpp
@@ -1197,11 +1197,15 @@ void ProjectionPlot::create_output() const
 
     int vert = omp_get_thread_num();
     for (int iter = 0; iter <= pixels_[1] / n_threads; iter++) {
-      if (vert < pixels_[1]) {
 
-        // Save bottom line of current work chunk to compare against later
-        if (tid == n_threads - 1)
-          old_segments = this_line_segments[n_threads - 1];
+      // Save bottom line of current work chunk to compare against later
+      // I used to have this inside the below if block, but it causes a
+      // spurious line to be drawn at the bottom of the image. Not sure
+      // why, but moving it here fixes things.
+      if (tid == n_threads - 1)
+        old_segments = this_line_segments[n_threads - 1];
+
+      if (vert < pixels_[1]) {
 
         for (int horiz = 0; horiz < pixels_[0]; ++horiz) {
 
diff --git a/tests/regression_tests/plot_projections/results_true.dat b/tests/regression_tests/plot_projections/results_true.dat
index 638981dc7..7f41f6a40 100644
--- a/tests/regression_tests/plot_projections/results_true.dat
+++ b/tests/regression_tests/plot_projections/results_true.dat
@@ -1 +1 @@
-96690b9e545d24b4e922aa30bffdd09863315e4a10301a5402c1b9f196a5ad67a1c8ac00231a1eeadb5d9c4f87cccd13bd86105765b002572acc4a33a32b070f
\ No newline at end of file
+186d646c4959755bf809d35c9f33a931fbd5195145131ae6764955bf276d44acf24970dfff76001106b93a7ce239d67d569440136b13073082c8ee23419d721e
\ No newline at end of file
diff --git a/tests/regression_tests/plot_projections/test.py b/tests/regression_tests/plot_projections/test.py
index 972e0e0d7..c390a06ab 100644
--- a/tests/regression_tests/plot_projections/test.py
+++ b/tests/regression_tests/plot_projections/test.py
@@ -56,5 +56,5 @@ class PlotTestHarness(TestHarness):
 
 
 def test_plot():
-    harness = PlotTestHarness(('plot_1.png', 'example1.png', 'example3.png', 'orthographic_example1.png'))
+    harness = PlotTestHarness(('plot_1.png', 'example1.png', 'example2.png', 'example3.png', 'orthographic_example1.png'))
     harness.main()

From 31174736e97d110f628d9e8c982ef85b657672a3 Mon Sep 17 00:00:00 2001
From: Gavin Ridley <gavin.keith.ridley@gmail.com>
Date: Sun, 19 Dec 2021 01:27:29 -0500
Subject: [PATCH 1721/2654] fix for non-OMP compile

---
 src/plot.cpp | 6 +++---
 1 file changed, 3 insertions(+), 3 deletions(-)

diff --git a/src/plot.cpp b/src/plot.cpp
index f7d1224f2..2e849c907 100644
--- a/src/plot.cpp
+++ b/src/plot.cpp
@@ -1161,8 +1161,8 @@ void ProjectionPlot::create_output() const
   const int n_threads = 1;
 #endif
   std::vector<std::vector<std::vector<TrackSegment>>> this_line_segments(
-    omp_get_max_threads());
-  for (int t = 0; t < omp_get_max_threads(); ++t) {
+    n_threads);
+  for (int t = 0; t < n_threads; ++t) {
     this_line_segments[t].resize(pixels_[0]);
   }
 
@@ -1195,7 +1195,7 @@ void ProjectionPlot::create_output() const
     s.u.z = 0.0;
     p.from_source(&s);
 
-    int vert = omp_get_thread_num();
+    int vert = tid;
     for (int iter = 0; iter <= pixels_[1] / n_threads; iter++) {
 
       // Save bottom line of current work chunk to compare against later

From 6726cc378f3025a9cd1c7dfe4245e245188204fd Mon Sep 17 00:00:00 2001
From: Gavin Ridley <gavin.keith.ridley@gmail.com>
Date: Sun, 9 Jan 2022 01:54:38 -0500
Subject: [PATCH 1722/2654] add unit test, select wireframing by id

---
 include/openmc/plot.h          |   8 +-
 openmc/plots.py                | 513 +++++++++++++++++++++++++--------
 src/plot.cpp                   |  89 +++++-
 tests/unit_tests/test_plots.py |  52 +++-
 4 files changed, 530 insertions(+), 132 deletions(-)

diff --git a/include/openmc/plot.h b/include/openmc/plot.h
index b076c0870..b09727835 100644
--- a/include/openmc/plot.h
+++ b/include/openmc/plot.h
@@ -282,6 +282,8 @@ private:
   void set_opacities(pugi::xml_node node);
   void set_orthographic_width(pugi::xml_node node);
   void set_wireframe_thickness(pugi::xml_node node);
+  void set_wireframe_ids(pugi::xml_node node);
+  void set_wireframe_color(pugi::xml_node node);
 
   /* Used for drawing wireframe and colors. We record the list of
    * surface/cell/material intersections and the corresponding lengths as a ray
@@ -306,6 +308,8 @@ private:
   Position camera_position_;        // where camera is
   Position look_at_;                // point camera is centered looking at
   Direction up_ {0.0, 0.0, 1.0};    // which way is up
+  std::vector<int>
+    wireframe_ids_; // which color IDs should be wireframed. If empty, all
 
   /* The horizontal thickness, if using an orthographic projection.
    * If set to zero, we assume using a perspective projection.
@@ -329,8 +333,8 @@ private:
    * to mean not having matching intersection lengths, but rather having
    * a matching sequence of surface/cell/material intersections.
    */
-  static bool trackstack_equivalent(const std::vector<TrackSegment>& track1,
-    const std::vector<TrackSegment>& track2);
+  bool trackstack_equivalent(const std::vector<TrackSegment>& track1,
+    const std::vector<TrackSegment>& track2) const;
 
   // Closed form 3x3 matrix inversion
   static std::vector<double> invert_matrix(const std::vector<double>& input);
diff --git a/openmc/plots.py b/openmc/plots.py
index 4b7d58e3b..7b67fee2c 100644
--- a/openmc/plots.py
+++ b/openmc/plots.py
@@ -178,14 +178,8 @@ def _get_plot_image(plot, cwd):
     return Image(str(png_file))
 
 
-class Plot(IDManagerMixin):
-    """Definition of a finite region of space to be plotted.
-
-    OpenMC is capable of generating two-dimensional slice plots and
-    three-dimensional voxel plots. Colors that are used in plots can be given as
-    RGB tuples, e.g. (255, 255, 255) would be white, or by a string indicating a
-    valid `SVG color <https://www.w3.org/TR/SVG11/types.html#ColorKeywords>`_.
-
+class PlotBase(IDManagerMixin):
+    """
     Parameters
     ----------
     plot_id : int
@@ -199,20 +193,12 @@ class Plot(IDManagerMixin):
         Unique identifier
     name : str
         Name of the plot
-    width : Iterable of float
-        Width of the plot in each basis direction
     pixels : Iterable of int
         Number of pixels to use in each basis direction
-    origin : tuple or list of ndarray
-        Origin (center) of the plot
     filename :
         Path to write the plot to
     color_by : {'cell', 'material'}
         Indicate whether the plot should be colored by cell or by material
-    type : {'slice', 'voxel'}
-        The type of the plot
-    basis : {'xy', 'xz', 'yz'}
-        The basis directions for the plot
     background : Iterable of int or str
         Color of the background
     mask_components : Iterable of openmc.Cell or openmc.Material or int
@@ -230,10 +216,6 @@ class Plot(IDManagerMixin):
         cell/material).
     level : int
         Universe depth to plot at
-    meshlines : dict
-        Dictionary defining type, id, linewidth and color of a mesh to be
-        plotted on top of a plot
-
     """
 
     next_id = 1
@@ -243,13 +225,9 @@ class Plot(IDManagerMixin):
         # Initialize Plot class attributes
         self.id = plot_id
         self.name = name
-        self._width = [4.0, 4.0]
         self._pixels = [400, 400]
-        self._origin = [0., 0., 0.]
         self._filename = None
         self._color_by = 'cell'
-        self._type = 'slice'
-        self._basis = 'xy'
         self._background = None
         self._mask_components = None
         self._mask_background = None
@@ -257,24 +235,15 @@ class Plot(IDManagerMixin):
         self._overlap_color = None
         self._colors = {}
         self._level = None
-        self._meshlines = None
 
     @property
     def name(self):
         return self._name
 
-    @property
-    def width(self):
-        return self._width
-
     @property
     def pixels(self):
         return self._pixels
 
-    @property
-    def origin(self):
-        return self._origin
-
     @property
     def filename(self):
         return self._filename
@@ -283,14 +252,6 @@ class Plot(IDManagerMixin):
     def color_by(self):
         return self._color_by
 
-    @property
-    def type(self):
-        return self._type
-
-    @property
-    def basis(self):
-        return self._basis
-
     @property
     def background(self):
         return self._background
@@ -319,27 +280,11 @@ class Plot(IDManagerMixin):
     def level(self):
         return self._level
 
-    @property
-    def meshlines(self):
-        return self._meshlines
-
     @name.setter
     def name(self, name):
         cv.check_type('plot name', name, str)
         self._name = name
 
-    @width.setter
-    def width(self, width):
-        cv.check_type('plot width', width, Iterable, Real)
-        cv.check_length('plot width', width, 2, 3)
-        self._width = width
-
-    @origin.setter
-    def origin(self, origin):
-        cv.check_type('plot origin', origin, Iterable, Real)
-        cv.check_length('plot origin', origin, 3)
-        self._origin = origin
-
     @pixels.setter
     def pixels(self, pixels):
         cv.check_type('plot pixels', pixels, Iterable, Integral)
@@ -358,16 +303,6 @@ class Plot(IDManagerMixin):
         cv.check_value('plot color_by', color_by, ['cell', 'material'])
         self._color_by = color_by
 
-    @type.setter
-    def type(self, plottype):
-        cv.check_value('plot type', plottype, ['slice', 'voxel'])
-        self._type = plottype
-
-    @basis.setter
-    def basis(self, basis):
-        cv.check_value('plot basis', basis, _BASES)
-        self._basis = basis
-
     @background.setter
     def background(self, background):
         self._check_color('plot background', background)
@@ -410,6 +345,132 @@ class Plot(IDManagerMixin):
         cv.check_greater_than('plot level', plot_level, 0, equality=True)
         self._level = plot_level
 
+    @staticmethod
+    def _check_color(err_string, color):
+        cv.check_type(err_string, color, Iterable)
+        if isinstance(color, str):
+            if color.lower() not in _SVG_COLORS:
+                raise ValueError(f"'{color}' is not a valid color.")
+        else:
+            cv.check_length(err_string, color, 3)
+            for rgb in color:
+                cv.check_type(err_string, rgb, Real)
+                cv.check_greater_than('RGB component', rgb, 0, True)
+                cv.check_less_than('RGB component', rgb, 256)
+
+    def colorize(self, geometry, seed=1):
+        """Generate a color scheme for each domain in the plot.
+
+        This routine may be used to generate random, reproducible color schemes.
+        The colors generated are based upon cell/material IDs in the geometry.
+
+        Parameters
+        ----------
+        geometry : openmc.Geometry
+            The geometry for which the plot is defined
+        seed : Integral
+            The random number seed used to generate the color scheme
+
+        """
+
+        cv.check_type('geometry', geometry, openmc.Geometry)
+        cv.check_type('seed', seed, Integral)
+        cv.check_greater_than('seed', seed, 1, equality=True)
+
+        # Get collections of the domains which will be plotted
+        if self.color_by == 'material':
+            domains = geometry.get_all_materials().values()
+        else:
+            domains = geometry.get_all_cells().values()
+
+        # Set the seed for the random number generator
+        np.random.seed(seed)
+
+        # Generate random colors for each feature
+        for domain in domains:
+            self.colors[domain] = np.random.randint(0, 256, (3,))
+
+class Plot(PlotBase):
+    '''Definition of a finite region of space to be plotted.
+
+    OpenMC is capable of generating two-dimensional slice plots, or
+    three-dimensional voxel or projection plots. Colors that are used in plots can be given as
+    RGB tuples, e.g. (255, 255, 255) would be white, or by a string indicating a
+    valid `SVG color <https://www.w3.org/TR/SVG11/types.html#ColorKeywords>`_.
+
+    Parameters
+    ----------
+    plot_id : int
+        Unique identifier for the plot
+    name : str
+        Name of the plot
+
+    Attributes
+    ----------
+    width : Iterable of float
+        Width of the plot in each basis direction
+    origin : tuple or list of ndarray
+        Origin (center) of the plot
+    type : {'slice', 'voxel'}
+        The type of the plot
+    basis : {'xy', 'xz', 'yz'}
+        The basis directions for the plot
+    meshlines : dict
+        Dictionary defining type, id, linewidth and color of a mesh to be
+        plotted on top of a plot
+
+    '''
+    def __init__(self, plot_id=None, name=''):
+        super().__init__(plot_id, name)
+        self._width = [4.0, 4.0]
+        self._origin = [0., 0., 0.]
+        self._type = 'slice'
+        self._basis = 'xy'
+        self._meshlines = None
+
+    @property
+    def width(self):
+        return self._width
+
+    @property
+    def origin(self):
+        return self._origin
+
+    @property
+    def type(self):
+        return self._type
+
+    @property
+    def basis(self):
+        return self._basis
+
+    @property
+    def meshlines(self):
+        return self._meshlines
+
+    @width.setter
+    def width(self, width):
+        cv.check_type('plot width', width, Iterable, Real)
+        cv.check_length('plot width', width, 2, 3)
+        self._width = width
+
+    @origin.setter
+    def origin(self, origin):
+        cv.check_type('plot origin', origin, Iterable, Real)
+        cv.check_length('plot origin', origin, 3)
+        self._origin = origin
+
+    @type.setter
+    def type(self, plottype):
+        cv.check_value('plot type', plottype, ['slice', 'voxel'])
+        self._type = plottype
+
+    @basis.setter
+    def basis(self, basis):
+        cv.check_value('plot basis', basis, _BASES)
+        self._basis = basis
+
+
     @meshlines.setter
     def meshlines(self, meshlines):
         cv.check_type('plot meshlines', meshlines, dict)
@@ -438,19 +499,6 @@ class Plot(IDManagerMixin):
 
         self._meshlines = meshlines
 
-    @staticmethod
-    def _check_color(err_string, color):
-        cv.check_type(err_string, color, Iterable)
-        if isinstance(color, str):
-            if color.lower() not in _SVG_COLORS:
-                raise ValueError(f"'{color}' is not a valid color.")
-        else:
-            cv.check_length(err_string, color, 3)
-            for rgb in color:
-                cv.check_type(err_string, rgb, Real)
-                cv.check_greater_than('RGB component', rgb, 0, True)
-                cv.check_less_than('RGB component', rgb, 256)
-
     def __repr__(self):
         string = 'Plot\n'
         string += '{: <16}=\t{}\n'.format('\tID', self._id)
@@ -474,6 +522,7 @@ class Plot(IDManagerMixin):
         string += '{: <16}=\t{}\n'.format('\tMeshlines', self._meshlines)
         return string
 
+
     @classmethod
     def from_geometry(cls, geometry, basis='xy', slice_coord=0.):
         """Return plot that encompasses a geometry.
@@ -520,38 +569,6 @@ class Plot(IDManagerMixin):
         plot.basis = basis
         return plot
 
-    def colorize(self, geometry, seed=1):
-        """Generate a color scheme for each domain in the plot.
-
-        This routine may be used to generate random, reproducible color schemes.
-        The colors generated are based upon cell/material IDs in the geometry.
-
-        Parameters
-        ----------
-        geometry : openmc.Geometry
-            The geometry for which the plot is defined
-        seed : Integral
-            The random number seed used to generate the color scheme
-
-        """
-
-        cv.check_type('geometry', geometry, openmc.Geometry)
-        cv.check_type('seed', seed, Integral)
-        cv.check_greater_than('seed', seed, 1, equality=True)
-
-        # Get collections of the domains which will be plotted
-        if self.color_by == 'material':
-            domains = geometry.get_all_materials().values()
-        else:
-            domains = geometry.get_all_cells().values()
-
-        # Set the seed for the random number generator
-        np.random.seed(seed)
-
-        # Generate random colors for each feature
-        for domain in domains:
-            self.colors[domain] = np.random.randint(0, 256, (3,))
-
     def highlight_domains(self, geometry, domains, seed=1,
                           alpha=0.5, background='gray'):
         """Use alpha compositing to highlight one or more domains in the plot.
@@ -604,7 +621,7 @@ class Plot(IDManagerMixin):
                 self._colors[domain] = (r, g, b)
 
     def to_xml_element(self):
-        """Return XML representation of the plot
+        """Return XML representation of the slice/voxel plot
 
         Returns
         -------
@@ -802,13 +819,271 @@ class Plot(IDManagerMixin):
         # Return produced image
         return _get_plot_image(self, cwd)
 
+class ProjectionPlot(PlotBase):
+    """Definition of a camera's view of OpenMC geometry
+
+    Colors are defined in the same manner as the Plot class, but with the addition
+    of a coloring parameter resembling a macroscopic cross section in units of inverse
+    centimeters. The volume rendering technique is used to color regions of the model.
+    An infinite cross section denotes a fully opaque region, and zero represents a
+    transparent region which will expose the color of the regions behind it.
+
+    The camera projection may either by orthographic or perspective. Perspective
+    projections are more similar to a pinhole camera, and orthographic projections
+    preserve parallel lines and distances.
+
+    Parameters
+    ----------
+    plot_id : int
+        Unique identifier for the plot
+    name : str
+        Name of the plot
+
+    Attributes
+    ----------
+    horizontal_field_of_view : float
+        Field of view horizontally, in units of degrees.
+    camera_position : tuple or list of ndarray
+        Position of the camera in 3D space
+    look_at : tuple or list of ndarray
+        The center of the camera's image points to this place in 3D space
+    up : tuple or list of ndarray
+        Which way is up for the camera. Must not be parallel to the
+        line between look_at and camera_position
+    orthographic_width : float
+        If set to a nonzero value, an orthographic projection is used.
+        All rays traced from the orthographic pixel array travel in the
+        same direction. The width of the starting array must be specified,
+        unlike with the default perspective projection. The height of the
+        array is deduced from the ratio of pixel dimensions for the image.
+
+    wireframe_thickness : int
+        Line thickness employed for drawing wireframes around cells or
+        material regions. Can be set to zero for no wireframes
+    wireframe_color : tuple of ints
+        RGB color of the wireframe lines
+    wireframe_regions : iterable of either Material or Cells
+        If provided, the wireframe is only drawn around these.
+        If color_by is by material, it must be a list of materials, else cells.
+
+    xs : dict 
+        A mapping from cell/material IDs to floats. The floating point values
+        are macroscopic cross sections influencing the volume rendering opacity
+        of each geometric region. Zero corresponds to perfect transparency, and
+        infinity equivalent to opaque.
+    """
+
+    def __init__(self, plot_id=None, name=''):
+        # Initialize Plot class attributes
+        super().__init__(plot_id, name)
+        self._horizontal_field_of_view = 70.0
+        self._camera_position = (1.0, 0.0, 0.0)
+        self._look_at = (0.0, 0.0, 0.0)
+        self._up = (0.0, 0.0, 1.0)
+        self._orthographic_width = 0.0
+        self._wireframe_thickness = 1
+        self._wireframe_color = _SVG_COLORS['black']
+        self._wireframe_regions = []
+        self._xs = {}
+
+    @property
+    def horizontal_field_of_view(self):
+        return self._horizontal_field_of_view
+
+    @property
+    def camera_position(self):
+        return self._camera_position
+
+    @property
+    def look_at(self):
+        return self._look_at
+
+    @property
+    def up(self):
+        return self._up
+
+    @property
+    def orthographic_width(self):
+        return self._orthographic_width
+
+    @property
+    def wireframe_thickness(self):
+        return self._wireframe_thickness
+
+    @property
+    def wireframe_color(self):
+        return self._wireframe_color
+
+    @property
+    def wireframe_regions(self):
+        return self._wireframe_regions
+
+    @property
+    def xs(self):
+        return self._xs
+
+    @horizontal_field_of_view.setter
+    def horizontal_field_of_view(self, horizontal_field_of_view):
+        cv.check_type('plot horizontal field of view', horizontal_field_of_view,
+                Real)
+        assert horizontal_field_of_view > 0.0
+        assert horizontal_field_of_view < 180.0
+        self._horizontal_field_of_view = horizontal_field_of_view
+
+    @camera_position.setter
+    def camera_position(self, camera_position):
+        cv.check_type('plot camera position', camera_position, Iterable, Real)
+        cv.check_length('plot camera position', camera_position, 3)
+        self._camera_position = camera_position
+
+    @look_at.setter
+    def look_at(self, look_at):
+        cv.check_type('plot look at', look_at, Iterable, Real)
+        cv.check_length('plot look at', look_at, 3)
+        self._look_at = look_at
+
+    @up.setter
+    def up(self, up):
+        cv.check_type('plot up', up, Iterable, Real)
+        cv.check_length('plot up', up, 3)
+        self._up = up
+
+    @orthographic_width.setter
+    def orthographic_width(self, orthographic_width):
+        cv.check_type('plot orthographic width', orthographic_width, Real)
+        self._orthographic_width = orthographic_width
+
+    @wireframe_thickness.setter
+    def wireframe_thickness(self, wireframe_thickness):
+        cv.check_type('plot orthographic width', wireframe_thickness, Integral)
+        assert wireframe_thickness >= 0
+        self._wireframe_thickness = wireframe_thickness
+
+    @wireframe_color.setter
+    def wireframe_color(self, wireframe_color):
+        self._check_color('plot wireframe color', wireframe_color)
+        self._wireframe_color = wireframe_color
+
+    @wireframe_regions.setter
+    def wireframe_regions(self, wireframe_regions):
+        for region in wireframe_regions:
+            if self._color_by == 'material':
+                if not isinstance(region, openmc.Material):
+                    raise Exception('Must provide a list of materials for \
+                            wireframe_region if color_by=Material')
+            else:
+                if not isinstance(region, openmc.Cell):
+                    raise Exception('Must provide a list of cells for \
+                            wireframe_region if color_by=cell')
+        self._wireframe_regions = wireframe_regions
+
+    @xs.setter
+    def xs(self, xs):
+        cv.check_type('plot xs', xs, Mapping)
+        for key, value in xs.items():
+            cv.check_type('plot xs key', key, (openmc.Cell, openmc.Material))
+            cv.check_type('plot xs value', value, Real)
+            assert value >= 0.0
+        self._xs = xs
+
+    def set_transparent(self, geometry):
+        """Sets all volume rendering XS to zero for the model
+
+        Parameters
+        ----------
+        geometry : openmc.Geometry
+            The geometry for which the plot is defined
+        """
+
+        cv.check_type('geometry', geometry, openmc.Geometry)
+
+        # Get collections of the domains which will be plotted
+        if self.color_by == 'material':
+            domains = geometry.get_all_materials().values()
+        else:
+            domains = geometry.get_all_cells().values()
+
+        # Generate random colors for each feature
+        for domain in domains:
+            self.xs[domain] = 0.0
+
+    def to_xml_element(self):
+        """Return XML representation of the projection plot
+
+        Returns
+        -------
+        element : xml.etree.ElementTree.Element
+            XML element containing plot data
+
+        """
+
+        element = ET.Element("plot")
+        element.set("id", str(self._id))
+        if self._filename is not None:
+            element.set("filename", self._filename)
+        element.set("color_by", self._color_by)
+        element.set("type", "projection")
+
+        subelement = ET.SubElement(element, "pixels")
+        subelement.text = ' '.join(map(str, self._pixels))
+
+        subelement = ET.SubElement(element, "camera_position")
+        subelement.text = ' '.join(map(str, self._camera_position))
+
+        subelement = ET.SubElement(element, "look_at")
+        subelement.text = ' '.join(map(str, self._look_at))
+
+        subelement = ET.SubElement(element, "wireframe_thickness")
+        subelement.text = str(self._wireframe_thickness)
+
+        subelement = ET.SubElement(element, "wireframe_color")
+        color = self._wireframe_color
+        if isinstance(color, str):
+            color = _SVG_COLORS[color.lower()]
+        subelement.text = ' '.join(str(x) for x in color)
+
+        if self._wireframe_regions:
+            id_list = [x.id for x in self._wireframe_regions]
+            subelement = ET.SubElement(element, "wireframe_ids")
+            subelement.text = ' '.join([str(x) for x in id_list])
+
+        if self._background is not None:
+            subelement = ET.SubElement(element, "background")
+            color = self._background
+            if isinstance(color, str):
+                color = _SVG_COLORS[color.lower()]
+            subelement.text = ' '.join(str(x) for x in color)
+
+        if self._mask_components is not None:
+            subelement = ET.SubElement(element, "mask")
+            subelement.set("components", ' '.join(
+                str(d.id) for d in self._mask_components))
+            color = self._mask_background
+            if color is not None:
+                if isinstance(color, str):
+                    color = _SVG_COLORS[color.lower()]
+                subelement.set("background", ' '.join(
+                    str(x) for x in color))
+
+        if self._colors:
+            for domain, color in sorted(self._colors.items(),
+                                        key=lambda x: x[0].id):
+                subelement = ET.SubElement(element, "color")
+                subelement.set("id", str(domain.id))
+                if isinstance(color, str):
+                    color = _SVG_COLORS[color.lower()]
+                subelement.set("rgb", ' '.join(str(x) for x in color))
+                subelement.set("xs", str(self._xs[domain]))
+
+        return element
 
 class Plots(cv.CheckedList):
     """Collection of Plots used for an OpenMC simulation.
 
     This class corresponds directly to the plots.xml input file. It can be
-    thought of as a normal Python list where each member is a :class:`Plot`. It
-    behaves like a list as the following example demonstrates:
+    thought of as a normal Python list where each member is inherits from
+    :class:`PlotBase`. It behaves like a list as the following example
+    demonstrates:
 
     >>> xz_plot = openmc.Plot()
     >>> big_plot = openmc.Plot()
@@ -819,13 +1094,13 @@ class Plots(cv.CheckedList):
 
     Parameters
     ----------
-    plots : Iterable of openmc.Plot
-        Plots to add to the collection
+    plots : Iterable of openmc.Plot or openmc.ProjectionPlot
+        plots to add to the collection
 
     """
 
     def __init__(self, plots=None):
-        super().__init__(Plot, 'plots collection')
+        super().__init__((Plot, ProjectionPlot), 'plots collection')
         self._plots_file = ET.Element("plots")
         if plots is not None:
             self += plots
@@ -835,7 +1110,7 @@ class Plots(cv.CheckedList):
 
         Parameters
         ----------
-        plot : openmc.Plot
+        plot : openmc.Plot or openmc.ProjectionPlot
             Plot to append
 
         """
diff --git a/src/plot.cpp b/src/plot.cpp
index 2e849c907..285f7f5a7 100644
--- a/src/plot.cpp
+++ b/src/plot.cpp
@@ -1035,6 +1035,8 @@ ProjectionPlot::ProjectionPlot(pugi::xml_node node) : PlottableInterface(node)
   set_opacities(node);
   set_orthographic_width(node);
   set_wireframe_thickness(node);
+  set_wireframe_ids(node);
+  set_wireframe_color(node);
 
   if (check_for_node(node, "orthographic_width") &&
       check_for_node(node, "field_of_view"))
@@ -1042,6 +1044,19 @@ ProjectionPlot::ProjectionPlot(pugi::xml_node node) : PlottableInterface(node)
                 "parameters.");
 }
 
+void ProjectionPlot::set_wireframe_color(pugi::xml_node plot_node)
+{
+  // Copy plot background color
+  if (check_for_node(plot_node, "wireframe_color")) {
+    vector<int> w_rgb = get_node_array<int>(plot_node, "wireframe_color");
+    if (w_rgb.size() == 3) {
+      wireframe_color_ = w_rgb;
+    } else {
+      fatal_error(fmt::format("Bad wireframe RGB in plot {}", id()));
+    }
+  }
+}
+
 void ProjectionPlot::set_output_path(pugi::xml_node node)
 {
   // Set output file path
@@ -1091,17 +1106,55 @@ int ProjectionPlot::advance_to_boundary_from_void(Particle& p)
 
 bool ProjectionPlot::trackstack_equivalent(
   const std::vector<TrackSegment>& track1,
-  const std::vector<TrackSegment>& track2)
+  const std::vector<TrackSegment>& track2) const
 {
-  if (track1.size() != track2.size())
-    return false;
-  for (int i = 0; i < track1.size(); ++i) {
-    if (track1[i].id != track2[i].id ||
-        track1[i].surface != track2[i].surface) {
-      return false;
+  if (wireframe_ids_.empty()) {
+    // TODO old version
+    return true;
+  } else {
+    // This runs in O(nm) where n is the intersection stack size
+    // and m is the number of IDs we are wireframing. A simpler
+    // algorithm can likely be found.
+    for (const int id : wireframe_ids_) {
+      int t1_i = 0;
+      int t2_i = 0;
+
+      // Advance to first instance of the ID
+      while (t1_i < track1.size() && t2_i < track2.size()) {
+        while (t1_i < track1.size() && track1[t1_i].id != id)
+          t1_i++;
+        while (t2_i < track2.size() && track2[t2_i].id != id)
+          t2_i++;
+
+        // This one is really important!
+        if ((t1_i == track1.size() && t2_i != track2.size()) ||
+            (t1_i != track1.size() && t2_i == track2.size()))
+          return false;
+        if (t1_i == track1.size() && t2_i == track2.size())
+          break;
+        // Check if surface different
+        if (track1[t1_i].surface != track2[t2_i].surface)
+          return false;
+
+        // Pretty sure this should not be used:
+        // if (t2_i != track2.size() - 1 &&
+        //     t1_i != track1.size() - 1 &&
+        //     track1[t1_i+1].id != track2[t2_i+1].id) return false;
+        if (t2_i != 0 && t1_i != 0 &&
+            track1[t1_i - 1].surface != track2[t2_i - 1].surface)
+          return false;
+
+        // Check if neighboring cells are different
+        // if (track1[t1_i ? t1_i - 1 : 0].id != track2[t2_i ? t2_i - 1 : 0].id)
+        // return false; if (track1[t1_i < track1.size() - 1 ? t1_i + 1 : t1_i
+        // ].id !=
+        //    track2[t2_i < track2.size() - 1 ? t2_i + 1 : t2_i].id) return
+        //    false;
+        t1_i++, t2_i++;
+      }
     }
+    return true;
   }
-  return true;
 }
 
 void ProjectionPlot::create_output() const
@@ -1247,7 +1300,10 @@ void ProjectionPlot::create_output() const
               // edges on the model boundary for the same cell.
               if (first_inside_model) {
                 this_line_segments[tid][horiz].emplace_back(
-                  0, 0.0, first_surface);
+                  color_by_ == PlotColorBy::mats
+                    ? p.material()
+                    : p.coord(p.n_coord() - 1).cell,
+                  0.0, first_surface);
                 first_inside_model = false;
               }
 
@@ -1435,6 +1491,21 @@ void ProjectionPlot::set_wireframe_thickness(pugi::xml_node node)
   }
 }
 
+void ProjectionPlot::set_wireframe_ids(pugi::xml_node node)
+{
+  if (check_for_node(node, "wireframe_ids")) {
+    wireframe_ids_ = get_node_array<int>(node, "wireframe_ids");
+    // It is read in as actual ID values, but we have to convert to indices in
+    // mat/cell array
+    for (auto& x : wireframe_ids_)
+      x = color_by_ == PlotColorBy::mats ? model::material_map[x]
+                                         : model::cell_map[x];
+  }
+  // We make sure the list is sorted in order to later use
+  // std::binary_search.
+  std::sort(wireframe_ids_.begin(), wireframe_ids_.end());
+}
+
 void ProjectionPlot::set_pixels(pugi::xml_node node)
 {
   vector<int> pxls = get_node_array<int>(node, "pixels");
diff --git a/tests/unit_tests/test_plots.py b/tests/unit_tests/test_plots.py
index 2db396cd5..183341c26 100644
--- a/tests/unit_tests/test_plots.py
+++ b/tests/unit_tests/test_plots.py
@@ -37,15 +37,47 @@ def myplot():
     }
     return plot
 
+@pytest.fixture(scope='module')
+def myprojectionplot():
+    plot = openmc.ProjectionPlot(name='myprojectionplot')
+    plot.look_at = (0.0, 0.0, 0.0)
+    plot.camera_position = (4.0, 3.0, 0.0)
+    plot.pixels = (500, 500)
+    plot.filename = 'myprojectionplot'
+    plot.background = (0, 0, 0)
+    plot.background = 'black'
+
+    plot.color_by = 'material'
+    m1, m2 = openmc.Material(), openmc.Material()
+    plot.colors = {m1: (0, 255, 0), m2: (0, 0, 255)}
+    plot.colors = {m1: 'green', m2: 'blue'}
+    plot.xs = {m1: 1.0, m2: 0.01}
+
+    plot.mask_components = [openmc.Material()]
+    plot.mask_background = (255, 255, 255)
+    plot.mask_background = 'white'
+
+    plot.overlap_color = (255, 211, 0)
+    plot.overlap_color = 'yellow'
+    
+    plot.wireframe_thickness = 2
+
+    plot.level = 1
+    return plot
 
 def test_attributes(myplot):
     assert myplot.name == 'myplot'
 
+def test_attributes_proj(myprojectionplot):
+    assert myprojectionplot.name == 'myprojectionplot'
 
 def test_repr(myplot):
     r = repr(myplot)
     assert isinstance(r, str)
 
+def test_repr_proj(myprojectionplot):
+    r = repr(myprojectionplot)
+    assert isinstance(r, str)
 
 def test_from_geometry():
     width = 25.
@@ -89,6 +121,18 @@ def test_xml_element(myplot):
         assert getattr(newplot, attr) == getattr(myplot, attr), attr
 
 
+def test_to_xml_element_proj(myprojectionplot):
+    elem = myprojectionplot.to_xml_element()
+    assert 'id' in elem.attrib
+    assert 'color_by' in elem.attrib
+    assert 'type' in elem.attrib
+    assert elem.find('camera_position') is not None
+    assert elem.find('wireframe_thickness') is not None
+    assert elem.find('look_at') is not None
+    assert elem.find('pixels') is not None
+    assert elem.find('background').text == '0 0 0'
+
+
 def test_plots(run_in_tmpdir):
     p1 = openmc.Plot(name='plot1')
     p1.origin = (5., 5., 5.)
@@ -99,10 +143,14 @@ def test_plots(run_in_tmpdir):
     plots = openmc.Plots([p1, p2])
     assert len(plots) == 2
 
-    p3 = openmc.Plot(name='plot3')
-    plots.append(p3)
+    p3 = openmc.ProjectionPlot(name='plot3')
+    plots = openmc.Plots([p1, p2, p3])
     assert len(plots) == 3
 
+    p4 = openmc.Plot(name='plot4')
+    plots.append(p4)
+    assert len(plots) == 4
+
     plots.export_to_xml()
 
     # from_xml

From ed5837202b7c0a69f051e7c4b35375093e21a421 Mon Sep 17 00:00:00 2001
From: Gavin Ridley <gavin.keith.ridley@gmail.com>
Date: Sun, 9 Jan 2022 17:08:34 -0500
Subject: [PATCH 1723/2654] add old wireframing behavior if not listing ids

---
 src/plot.cpp | 10 +++++++++-
 1 file changed, 9 insertions(+), 1 deletion(-)

diff --git a/src/plot.cpp b/src/plot.cpp
index 285f7f5a7..73dd43533 100644
--- a/src/plot.cpp
+++ b/src/plot.cpp
@@ -1109,7 +1109,15 @@ bool ProjectionPlot::trackstack_equivalent(
   const std::vector<TrackSegment>& track2) const
 {
   if (wireframe_ids_.empty()) {
-    // TODO old version
+    // Draw wireframe for all surfaces/cells/materials
+    if (track1.size() != track2.size())
+      return false;
+    for (int i = 0; i < track1.size(); ++i) {
+      if (track1[i].id != track2[i].id ||
+          track1[i].surface != track2[i].surface) {
+        return false;
+      }
+    }
     return true;
   } else {
     // This runs in O(nm) where n is the intersection stack size

From f1b92603c80937104ed8e0f2948cb9237838cc46 Mon Sep 17 00:00:00 2001
From: Gavin Ridley <gavin.keith.ridley@gmail.com>
Date: Sun, 9 Jan 2022 17:56:23 -0500
Subject: [PATCH 1724/2654] update projection plot regr test

---
 src/plot.cpp                                             | 4 ++--
 tests/regression_tests/plot_projections/plots.xml        | 1 +
 tests/regression_tests/plot_projections/results_true.dat | 2 +-
 3 files changed, 4 insertions(+), 3 deletions(-)

diff --git a/src/plot.cpp b/src/plot.cpp
index 73dd43533..f3262185e 100644
--- a/src/plot.cpp
+++ b/src/plot.cpp
@@ -1100,7 +1100,7 @@ int ProjectionPlot::advance_to_boundary_from_void(Particle& p)
   else { // advance the particle
     for (int j = 0; j < p.n_coord(); ++j)
       p.coord(j).r += (min_dist + scoot) * p.coord(j).u;
-    return intersected_surface;
+    return std::abs(intersected_surface);
   }
 }
 
@@ -1321,7 +1321,7 @@ void ProjectionPlot::create_output() const
               this_line_segments[tid][horiz].emplace_back(
                 color_by_ == PlotColorBy::mats ? p.material()
                                                : p.coord(p.n_coord() - 1).cell,
-                dist.distance, dist.surface_index);
+                dist.distance, std::abs(dist.surface_index));
 
               // Advance particle
               for (int lev = 0; lev < p.n_coord(); ++lev) {
diff --git a/tests/regression_tests/plot_projections/plots.xml b/tests/regression_tests/plot_projections/plots.xml
index 11fa27211..85689da14 100644
--- a/tests/regression_tests/plot_projections/plots.xml
+++ b/tests/regression_tests/plot_projections/plots.xml
@@ -28,6 +28,7 @@
     <pixels>200 200</pixels>
     <background>240 240 240</background>
     <filename>example2.png</filename>
+    <wireframe_ids>2</wireframe_ids>
   </plot>
 
   <plot id="4" color_by="material" type="projection">
diff --git a/tests/regression_tests/plot_projections/results_true.dat b/tests/regression_tests/plot_projections/results_true.dat
index 7f41f6a40..f1f3d9276 100644
--- a/tests/regression_tests/plot_projections/results_true.dat
+++ b/tests/regression_tests/plot_projections/results_true.dat
@@ -1 +1 @@
-186d646c4959755bf809d35c9f33a931fbd5195145131ae6764955bf276d44acf24970dfff76001106b93a7ce239d67d569440136b13073082c8ee23419d721e
\ No newline at end of file
+18b85140df16cec9268e76d41430971be7f835b4ef84efdc0065012b2b341a6f369c14ad435a728d9224800882e4a923308859c5849cede0bc4b8ea4f3234f6f
\ No newline at end of file

From bd2de0372f95e663264fab670e44e2c9df639639 Mon Sep 17 00:00:00 2001
From: Gavin Ridley <gavin.keith.ridley@gmail.com>
Date: Sun, 9 Jan 2022 18:33:53 -0500
Subject: [PATCH 1725/2654] projection plot docs

---
 docs/source/_images/hexlat_anim.gif | Bin 0 -> 1233034 bytes
 docs/source/usersguide/plots.rst    |  76 ++++++++++++++++++++++++++++
 2 files changed, 76 insertions(+)
 create mode 100644 docs/source/_images/hexlat_anim.gif

diff --git a/docs/source/_images/hexlat_anim.gif b/docs/source/_images/hexlat_anim.gif
new file mode 100644
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literal 0
HcmV?d00001

diff --git a/docs/source/usersguide/plots.rst b/docs/source/usersguide/plots.rst
index d57917a3d..55a095110 100644
--- a/docs/source/usersguide/plots.rst
+++ b/docs/source/usersguide/plots.rst
@@ -121,3 +121,79 @@ will depend on the 3D viewer, but should be straightforward.
           program (Visit, ParaView, etc.) if the number of voxels is large (>10
           million or so).  Thus if you want an accurate picture that renders
           smoothly, consider using only one voxel in a certain direction.
+
+----------------
+Projection Plots
+----------------
+
+.. image:: ../_images/hexlat_anim.gif
+   :width: 200px
+
+The :class:`openmc.ProjectionPlot` class presents an alternative method
+of producing 3D visualizations of OpenMC geometries. It was developed to
+overcome the primary shortcoming of voxel plots, that an enormous number
+of voxels must be employed to capture detailed geometric features.
+Projection plots do volume rendering on material or
+cell volumes, with colors specified in the same manner as slice plots.
+This is done using the native ray tracing capabilities within OpenMC,
+so any geometry in which particles successfully run without overlaps
+or leaks will work with projection plots.
+
+One drawback of projection plots is that particle tracks cannot be overlaid
+on them at present. Moreover, checking for overlap regions as is possible
+with slice plots is also not available. The image heading this section can
+be created by adding the following code to the hexagonal lattice example packaged
+with OpenMC, before exporting to plots.xml.
+
+::
+
+  r = 5 
+  import numpy as np
+  for i in range(100):
+      phi = 2 * np.pi * i/100
+      thisp = openmc.ProjectionPlot(plot_id = 4 + i)
+      thisp.filename = 'frame%s'%(str(i).zfill(3))
+      thisp.look_at = [0, 0, 0]
+      thisp.camera_position = [r * np.cos(phi), r * np.sin(phi), 6 * np.sin(phi)]
+      thisp.pixels = [200, 200]
+      thisp.color_by = 'material'
+      thisp.colorize(geometry)
+      thisp.set_transparent(geometry)
+      thisp.xs[fuel] = 1.0
+      thisp.xs[iron] = 1.0
+      thisp.wireframe_regions = [fuel]
+      thisp.wireframe_thickness = 2
+  
+      plot_file.append(thisp)
+
+This generates a sequence of png files which can be joined to form a gif.
+Each image specifies a different camera position using some simple periodic
+functions to create a perfectly looped gif. :attr:`ProjectionPlot.look_at`
+defines where the camera's centerline should point at.
+:attr:`ProjectionPlot.camera_position` similarly defines where the camera
+is situated in the universe level we seek to plot. The other settings
+resemble those employed by :class:`openmc.Plot`, with the exception of
+the :class:`ProjectionPlot.set_transparent` method and :attr:`ProjectionPlot.xs`
+dictionary. These are used to control volume rendering of material
+volumes. "xs" here stands for cross section, and it defines material
+opacities in units of inverse centimeters. Setting this value to a
+large number would make a material or cell opaque, and setting it to
+zero makes a material transparent. Thus, the :class:`ProjectionPlot.set_transparent`
+can be used to make all materials in the geometry transparent. From there,
+individual material or cell opacities can be tuned to produce the
+desired result.
+
+Lastly, projection plots come packaged with wireframe generation that
+can target either all surface/cell/material boundaries in the geometry,
+or only wireframing around specific regions. In the above example, we
+have set only the fuel region from the hexagonal lattice example to have
+a wireframe drawn around it. The :attr:`ProjectionPlot.wireframe_thickness`
+attribute sets the wireframe thickness in units of pixels.
+
+.. note:: When setting specific material or cell regions to have wireframes
+          drawn around them, the plot must be colored by materials if wireframing
+          around specific materials and similarly colored by cell instance if
+          wireframing around specific cells.
+          
+          
+          

From c8b8f1b9b9b47ec7c5e131526cd7e242d832eb1b Mon Sep 17 00:00:00 2001
From: Gavin Ridley <gavin.keith.ridley@gmail.com>
Date: Sun, 9 Jan 2022 23:51:59 -0500
Subject: [PATCH 1726/2654] regold projection plot regr test

---
 tests/regression_tests/plot_projections/results_true.dat | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/tests/regression_tests/plot_projections/results_true.dat b/tests/regression_tests/plot_projections/results_true.dat
index f1f3d9276..64410ac93 100644
--- a/tests/regression_tests/plot_projections/results_true.dat
+++ b/tests/regression_tests/plot_projections/results_true.dat
@@ -1 +1 @@
-18b85140df16cec9268e76d41430971be7f835b4ef84efdc0065012b2b341a6f369c14ad435a728d9224800882e4a923308859c5849cede0bc4b8ea4f3234f6f
\ No newline at end of file
+a8c00451d0766c73a1c03769a12524fa4e08246e253fedd9f75c1b81889d3a71ff7782197090ca3aff4f58d8c863203028347338b3a1e3d78af14e3716482b96
\ No newline at end of file

From 74fc00fc43303de1a5109b55b626261936271436 Mon Sep 17 00:00:00 2001
From: Gavin Ridley <gavin.keith.ridley@gmail.com>
Date: Mon, 23 May 2022 17:51:36 -0400
Subject: [PATCH 1727/2654] now passing tests again

---
 openmc/plots.py | 99 ++++++++++++++++++++++++++++++++++++++++++++-----
 1 file changed, 89 insertions(+), 10 deletions(-)

diff --git a/openmc/plots.py b/openmc/plots.py
index 7b67fee2c..91a03a5cd 100644
--- a/openmc/plots.py
+++ b/openmc/plots.py
@@ -177,6 +177,27 @@ def _get_plot_image(plot, cwd):
 
     return Image(str(png_file))
 
+def get_tuple(elem, name, dtype=int):
+    '''Helper function to get a tuple of values
+
+    Parameters
+    ----------
+    elem : xml.etree.ElementTree.Element
+        XML element that should contain a tuple
+    name : str
+        Name of the subelement to obtain tuple from
+    dtype : data-type
+        The type of each element in the tuple
+
+    Returns
+    -------
+    tuple of dtype
+        Data read from the tuple
+    '''
+    subelem = elem.find(name)
+    if subelem is not None:
+        return tuple([dtype(x) for x in subelem.text.split()])
+
 
 class PlotBase(IDManagerMixin):
     """
@@ -733,12 +754,6 @@ class Plot(PlotBase):
         plot.type = elem.get("type")
         plot.basis = elem.get("basis")
 
-        # Helper function to get a tuple of values
-        def get_tuple(elem, name, dtype=int):
-            subelem = elem.find(name)
-            if subelem is not None:
-                return tuple([dtype(x) for x in subelem.text.split()])
-
         plot.origin = get_tuple(elem, "origin", float)
         plot.width = get_tuple(elem, "width", float)
         plot.pixels = get_tuple(elem, "pixels")
@@ -955,7 +970,7 @@ class ProjectionPlot(PlotBase):
 
     @wireframe_thickness.setter
     def wireframe_thickness(self, wireframe_thickness):
-        cv.check_type('plot orthographic width', wireframe_thickness, Integral)
+        cv.check_type('plot wireframe thickness', wireframe_thickness, Integral)
         assert wireframe_thickness >= 0
         self._wireframe_thickness = wireframe_thickness
 
@@ -1075,8 +1090,70 @@ class ProjectionPlot(PlotBase):
                 subelement.set("rgb", ' '.join(str(x) for x in color))
                 subelement.set("xs", str(self._xs[domain]))
 
+        if self._level is not None:
+            subelement = ET.SubElement(element, "level")
+            subelement.text = str(self._level)
+
         return element
 
+    @classmethod
+    def from_xml_element(cls, elem):
+        """Generate plot object from an XML element
+
+        Parameters
+        ----------
+        elem : xml.etree.ElementTree.Element
+            XML element
+
+        Returns
+        -------
+        openmc.ProjectionPlot
+            ProjectionPlot object
+
+        """
+        plot_id = int(elem.get("id"))
+        plot = cls(plot_id)
+        if "filename" in elem.keys():
+            plot.filename = elem.get("filename")
+        plot.color_by = elem.get("color_by")
+        plot.type = "projection"
+
+        plot.pixels = get_tuple(elem, "pixels")
+        plot.camera_position = get_tuple(elem, "camera_position", float)
+        plot.look_at = get_tuple(elem, "look_at", float)
+
+        # Attempt to get wireframe thickness. May not be present
+        wireframe_thickness = elem.get("wireframe_thickness")
+        if wireframe_thickness:
+            plot.wireframe_thickness = int(wireframe_thickness)
+        wireframe_color = elem.get("wireframe_color")
+        if wireframe_color:
+            plot.wireframe_color = [int(item) for item in wireframe_color]
+
+        # Set plot colors
+        colors = {}
+        xs = {}
+        for color_elem in elem.findall("color"):
+            uid = color_elem.get("id")
+            colors[uid] = get_tuple(color_elem, "rgb")
+            xs[uid] = float(color_elem.get("xs"))
+
+        # Set masking information
+        mask_elem = elem.find("mask")
+        if mask_elem is not None:
+            mask_components = [int(x) for x in mask_elem.get("components").split()]
+            # TODO: set mask components (needs geometry information)
+            background = mask_elem.get("background")
+            if background is not None:
+                plot.mask_background = tuple([int(x) for x in background.split()])
+
+        # Set universe level
+        level = elem.find("level")
+        if level is not None:
+            plot.level = int(level.text)
+
+        return plot
+
 class Plots(cv.CheckedList):
     """Collection of Plots used for an OpenMC simulation.
 
@@ -1241,7 +1318,11 @@ class Plots(cv.CheckedList):
         # Generate each plot
         plots = cls()
         for e in elem.findall('plot'):
-            plots.append(Plot.from_xml_element(e))
+            plot_type = elem.get('type')
+            if plot_type == 'projection':
+                plots.append(ProjectionPlot.from_xml_element(elem))
+            else:
+                plots.append(Plot.from_xml_element(elem))
         return plots
 
     @classmethod
@@ -1262,5 +1343,3 @@ class Plots(cv.CheckedList):
         tree = ET.parse(path)
         root = tree.getroot()
         return cls.from_xml_element(root)
-
-

From 3b8f1ee1fe21cb98bc00ab3144372dcf7abf60e1 Mon Sep 17 00:00:00 2001
From: Gavin Ridley <gavin.keith.ridley@gmail.com>
Date: Tue, 6 Sep 2022 10:57:59 -0400
Subject: [PATCH 1728/2654] Update docs/source/usersguide/plots.rst

Co-authored-by: Patrick Shriwise <pshriwise@gmail.com>
---
 docs/source/usersguide/plots.rst | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/docs/source/usersguide/plots.rst b/docs/source/usersguide/plots.rst
index 55a095110..2d1a9f363 100644
--- a/docs/source/usersguide/plots.rst
+++ b/docs/source/usersguide/plots.rst
@@ -133,7 +133,7 @@ The :class:`openmc.ProjectionPlot` class presents an alternative method
 of producing 3D visualizations of OpenMC geometries. It was developed to
 overcome the primary shortcoming of voxel plots, that an enormous number
 of voxels must be employed to capture detailed geometric features.
-Projection plots do volume rendering on material or
+Projection plots perform volume rendering on material or
 cell volumes, with colors specified in the same manner as slice plots.
 This is done using the native ray tracing capabilities within OpenMC,
 so any geometry in which particles successfully run without overlaps

From 0a71d690b41f4231749d2376007cc57e57b2e493 Mon Sep 17 00:00:00 2001
From: Gavin Ridley <gavin.keith.ridley@gmail.com>
Date: Tue, 6 Sep 2022 10:58:18 -0400
Subject: [PATCH 1729/2654] Update docs/source/usersguide/plots.rst

Co-authored-by: Patrick Shriwise <pshriwise@gmail.com>
---
 docs/source/usersguide/plots.rst | 3 +--
 1 file changed, 1 insertion(+), 2 deletions(-)

diff --git a/docs/source/usersguide/plots.rst b/docs/source/usersguide/plots.rst
index 2d1a9f363..ae386668e 100644
--- a/docs/source/usersguide/plots.rst
+++ b/docs/source/usersguide/plots.rst
@@ -140,8 +140,7 @@ so any geometry in which particles successfully run without overlaps
 or leaks will work with projection plots.
 
 One drawback of projection plots is that particle tracks cannot be overlaid
-on them at present. Moreover, checking for overlap regions as is possible
-with slice plots is also not available. The image heading this section can
+on them at present. Moreover, checking for overlap regions is not currently possible with projection plots. The image heading this section can
 be created by adding the following code to the hexagonal lattice example packaged
 with OpenMC, before exporting to plots.xml.
 

From 61cab3009ab817fe76f5eb9dcf36cb49603ea919 Mon Sep 17 00:00:00 2001
From: Gavin Ridley <gavin.keith.ridley@gmail.com>
Date: Fri, 17 Mar 2023 13:20:16 -0400
Subject: [PATCH 1730/2654] PR comments addressed

---
 docs/source/usersguide/plots.rst |  23 +++-
 include/openmc/plot.h            |  43 +++----
 openmc/_xml.py                   |  22 ++++
 openmc/plots.py                  | 200 ++++++++++++++-----------------
 src/plot.cpp                     |   7 +-
 5 files changed, 157 insertions(+), 138 deletions(-)

diff --git a/docs/source/usersguide/plots.rst b/docs/source/usersguide/plots.rst
index ae386668e..35a2aff61 100644
--- a/docs/source/usersguide/plots.rst
+++ b/docs/source/usersguide/plots.rst
@@ -160,7 +160,7 @@ with OpenMC, before exporting to plots.xml.
       thisp.set_transparent(geometry)
       thisp.xs[fuel] = 1.0
       thisp.xs[iron] = 1.0
-      thisp.wireframe_regions = [fuel]
+      thisp.wireframe_domains = [fuel]
       thisp.wireframe_thickness = 2
   
       plot_file.append(thisp)
@@ -182,17 +182,30 @@ can be used to make all materials in the geometry transparent. From there,
 individual material or cell opacities can be tuned to produce the
 desired result.
 
+Two camera projections are available when using these plots, perspective
+and orthographic. The default, perspective projection,
+is a cone of rays passing through each pixel which radiate from the camera
+position and span the field of view in the x and y positions. The horizontal
+field of view can be set with the :attr: `ProjectionPlot.horizontal_field_of_view` attribute,
+which is to be specified in units of degrees. The field of view only influences
+behavior in perspective projection mode.
+
+In the orthographic projection, rays follow the same angle but originate from
+different points. The horizontal width of this plane of ray starting points
+may be set with the :attr: `ProjectionPlot.orthographic_width` element. If this element
+is nonzero, the orthographic projection is employed. Left to its default value
+of zero, the perspective projection is employed.
+
 Lastly, projection plots come packaged with wireframe generation that
 can target either all surface/cell/material boundaries in the geometry,
 or only wireframing around specific regions. In the above example, we
 have set only the fuel region from the hexagonal lattice example to have
-a wireframe drawn around it. The :attr:`ProjectionPlot.wireframe_thickness`
+a wireframe drawn around it. This is accomplished by setting the
+:attr: `ProjectionPlot.wireframe_domains`, which may be set to either material
+IDs or cell IDs. The :attr:`ProjectionPlot.wireframe_thickness`
 attribute sets the wireframe thickness in units of pixels.
 
 .. note:: When setting specific material or cell regions to have wireframes
           drawn around them, the plot must be colored by materials if wireframing
           around specific materials and similarly colored by cell instance if
           wireframing around specific cells.
-          
-          
-          
diff --git a/include/openmc/plot.h b/include/openmc/plot.h
index b09727835..fc78c250b 100644
--- a/include/openmc/plot.h
+++ b/include/openmc/plot.h
@@ -28,7 +28,7 @@ class PlottableInterface;
 namespace model {
 
 extern std::unordered_map<int, int> plot_map; //!< map of plot ids to index
-extern std::vector<std::unique_ptr<PlottableInterface>>
+extern vector<std::unique_ptr<PlottableInterface>>
   plots; //!< Plot instance container
 
 extern uint64_t plotter_seed; // Stream index used by the plotter
@@ -285,6 +285,19 @@ private:
   void set_wireframe_ids(pugi::xml_node node);
   void set_wireframe_color(pugi::xml_node node);
 
+  /* If starting the particle from outside the geometry, we have to
+   * find a distance to the boundary in a non-standard surface intersection
+   * check. It's an exhaustive search over surfaces in the top-level universe.
+   */
+  static int advance_to_boundary_from_void(Particle& p);
+
+  /* Checks if a vector of two TrackSegments is equivalent. We define this
+   * to mean not having matching intersection lengths, but rather having
+   * a matching sequence of surface/cell/material intersections.
+   */
+  bool trackstack_equivalent(const vector<TrackSegment>& track1,
+    const vector<TrackSegment>& track2) const;
+
   /* Used for drawing wireframe and colors. We record the list of
    * surface/cell/material intersections and the corresponding lengths as a ray
    * traverses the geometry, then color by iterating in reverse.
@@ -303,13 +316,18 @@ private:
     {}
   };
 
+  // Max intersections before we assume ray tracing is caught in an infinite
+  // loop:
+  static const int MAX_INTERSECTIONS = 1000000;
+
   std::array<int, 2> pixels_;       // pixel dimension of resulting image
   double horizontal_field_of_view_ {70.0}; // horiz. f.o.v. in degrees
   Position camera_position_;        // where camera is
   Position look_at_;                // point camera is centered looking at
   Direction up_ {0.0, 0.0, 1.0};    // which way is up
-  std::vector<int>
-    wireframe_ids_; // which color IDs should be wireframed. If empty, all
+
+  // which color IDs should be wireframed. If empty, all cells are wireframed.
+  vector<int> wireframe_ids_;
 
   /* The horizontal thickness, if using an orthographic projection.
    * If set to zero, we assume using a perspective projection.
@@ -320,24 +338,7 @@ private:
   int wireframe_thickness_ {1};
 
   RGBColor wireframe_color_ {BLACK}; // wireframe color
-  std::vector<double>
-    xs_; // macro cross section values for cell volume rendering
-
-  /* If starting the particle from outside the geometry, we have to
-   * find a distance to the boundary in a non-standard surface intersection
-   * check. It's an exhaustive search over surfaces in the top-level universe.
-   */
-  static int advance_to_boundary_from_void(Particle& p);
-
-  /* Checks if a vector of two TrackSegments is equivalent. We define this
-   * to mean not having matching intersection lengths, but rather having
-   * a matching sequence of surface/cell/material intersections.
-   */
-  bool trackstack_equivalent(const std::vector<TrackSegment>& track1,
-    const std::vector<TrackSegment>& track2) const;
-
-  // Closed form 3x3 matrix inversion
-  static std::vector<double> invert_matrix(const std::vector<double>& input);
+  vector<double> xs_; // macro cross section values for cell volume rendering
 };
 
 //===============================================================================
diff --git a/openmc/_xml.py b/openmc/_xml.py
index 6799a4e2d..78bcbc264 100644
--- a/openmc/_xml.py
+++ b/openmc/_xml.py
@@ -79,3 +79,25 @@ def reorder_attributes(root):
             attribs = sorted(attrib.items())
             attrib.clear()
             attrib.update(attribs)
+
+
+def get_elem_tuple(elem, name, dtype=int):
+    '''Helper function to get a tuple of values from an elem
+
+    Parameters
+    ----------
+    elem : xml.etree.ElementTree.Element
+        XML element that should contain a tuple
+    name : str
+        Name of the subelement to obtain tuple from
+    dtype : data-type
+        The type of each element in the tuple
+
+    Returns
+    -------
+    tuple of dtype
+        Data read from the tuple
+    '''
+    subelem = elem.find(name)
+    if subelem is not None:
+        return tuple([dtype(x) for x in subelem.text.split()])
diff --git a/openmc/plots.py b/openmc/plots.py
index 91a03a5cd..508fb6c23 100644
--- a/openmc/plots.py
+++ b/openmc/plots.py
@@ -7,7 +7,7 @@ import numpy as np
 
 import openmc
 import openmc.checkvalue as cv
-from ._xml import clean_indentation, reorder_attributes
+from ._xml import clean_indentation, reorder_attributes, get_elem_tuple
 from .mixin import IDManagerMixin
 
 
@@ -177,27 +177,6 @@ def _get_plot_image(plot, cwd):
 
     return Image(str(png_file))
 
-def get_tuple(elem, name, dtype=int):
-    '''Helper function to get a tuple of values
-
-    Parameters
-    ----------
-    elem : xml.etree.ElementTree.Element
-        XML element that should contain a tuple
-    name : str
-        Name of the subelement to obtain tuple from
-    dtype : data-type
-        The type of each element in the tuple
-
-    Returns
-    -------
-    tuple of dtype
-        Data read from the tuple
-    '''
-    subelem = elem.find(name)
-    if subelem is not None:
-        return tuple([dtype(x) for x in subelem.text.split()])
-
 
 class PlotBase(IDManagerMixin):
     """
@@ -411,6 +390,49 @@ class PlotBase(IDManagerMixin):
         for domain in domains:
             self.colors[domain] = np.random.randint(0, 256, (3,))
 
+    def to_xml_element(self):
+        """Save common plot attributes to XML element
+
+        Returns
+        -------
+        element : xml.etree.ElementTree.Element
+            XML element containing plot data
+
+        """
+
+        element = ET.Element("plot")
+        element.set("id", str(self._id))
+        if self._filename is not None:
+            element.set("filename", self._filename)
+        element.set("color_by", self._color_by)
+
+        subelement = ET.SubElement(element, "pixels")
+        subelement.text = ' '.join(map(str, self._pixels))
+
+        if self._background is not None:
+            subelement = ET.SubElement(element, "background")
+            color = self._background
+            if isinstance(color, str):
+                color = _SVG_COLORS[color.lower()]
+            subelement.text = ' '.join(str(x) for x in color)
+
+        if self._mask_components is not None:
+            subelement = ET.SubElement(element, "mask")
+            subelement.set("components", ' '.join(
+                str(get_id(d)) for d in self._mask_components))
+            color = self._mask_background
+            if color is not None:
+                if isinstance(color, str):
+                    color = _SVG_COLORS[color.lower()]
+                subelement.set("background", ' '.join(
+                    str(x) for x in color))
+
+        if self._level is not None:
+            subelement = ET.SubElement(element, "level")
+            subelement.text = str(self._level)
+
+        return element
+
 class Plot(PlotBase):
     '''Definition of a finite region of space to be plotted.
 
@@ -651,11 +673,7 @@ class Plot(PlotBase):
 
         """
 
-        element = ET.Element("plot")
-        element.set("id", str(self._id))
-        if self._filename is not None:
-            element.set("filename", self._filename)
-        element.set("color_by", self._color_by)
+        element = super().to_xml_element()
         element.set("type", self._type)
 
         if self._type == 'slice':
@@ -667,16 +685,6 @@ class Plot(PlotBase):
         subelement = ET.SubElement(element, "width")
         subelement.text = ' '.join(map(str, self._width))
 
-        subelement = ET.SubElement(element, "pixels")
-        subelement.text = ' '.join(map(str, self._pixels))
-
-        if self._background is not None:
-            subelement = ET.SubElement(element, "background")
-            color = self._background
-            if isinstance(color, str):
-                color = _SVG_COLORS[color.lower()]
-            subelement.text = ' '.join(str(x) for x in color)
-
         # Helper function that returns the domain ID given either a
         # Cell/Material object or the domain ID itself
         def get_id(domain):
@@ -691,17 +699,6 @@ class Plot(PlotBase):
                     color = _SVG_COLORS[color.lower()]
                 subelement.set("rgb", ' '.join(str(x) for x in color))
 
-        if self._mask_components is not None:
-            subelement = ET.SubElement(element, "mask")
-            subelement.set("components", ' '.join(
-                str(get_id(d)) for d in self._mask_components))
-            color = self._mask_background
-            if color is not None:
-                if isinstance(color, str):
-                    color = _SVG_COLORS[color.lower()]
-                subelement.set("background", ' '.join(
-                    str(x) for x in color))
-
         if self._show_overlaps:
             subelement = ET.SubElement(element, "show_overlaps")
             subelement.text = "true"
@@ -714,10 +711,6 @@ class Plot(PlotBase):
                 subelement.text = ' '.join(str(x) for x in color)
 
 
-        if self._level is not None:
-            subelement = ET.SubElement(element, "level")
-            subelement.text = str(self._level)
-
         if self._meshlines is not None:
             subelement = ET.SubElement(element, "meshlines")
             subelement.set("meshtype", self._meshlines['type'])
@@ -754,10 +747,10 @@ class Plot(PlotBase):
         plot.type = elem.get("type")
         plot.basis = elem.get("basis")
 
-        plot.origin = get_tuple(elem, "origin", float)
-        plot.width = get_tuple(elem, "width", float)
-        plot.pixels = get_tuple(elem, "pixels")
-        plot._background = get_tuple(elem, "background")
+        plot.origin = get_elem_tuple(elem, "origin", float)
+        plot.width = get_elem_tuple(elem, "width", float)
+        plot.pixels = get_elem_tuple(elem, "pixels")
+        plot._background = get_elem_tuple(elem, "background")
 
         # Set plot colors
         colors = {}
@@ -778,7 +771,7 @@ class Plot(PlotBase):
         overlap_elem = elem.find("show_overlaps")
         if overlap_elem is not None:
             plot.show_overlaps = (overlap_elem.text in ('true', '1'))
-        overlap_color = get_tuple(elem, "overlap_color")
+        overlap_color = get_elem_tuple(elem, "overlap_color")
         if overlap_color is not None:
             plot.overlap_color = overlap_color
 
@@ -857,35 +850,37 @@ class ProjectionPlot(PlotBase):
     Attributes
     ----------
     horizontal_field_of_view : float
-        Field of view horizontally, in units of degrees.
+        Field of view horizontally, in units of degrees, defaults to 70.
     camera_position : tuple or list of ndarray
-        Position of the camera in 3D space
+        Position of the camera in 3D space. Defaults to (1, 0, 0).
     look_at : tuple or list of ndarray
-        The center of the camera's image points to this place in 3D space
+        The center of the camera's image points to this place in 3D space.
+        Set to (0, 0, 0) by default.
     up : tuple or list of ndarray
         Which way is up for the camera. Must not be parallel to the
-        line between look_at and camera_position
+        line between look_at and camera_position. Set to (0, 0, 1) by default.
     orthographic_width : float
         If set to a nonzero value, an orthographic projection is used.
         All rays traced from the orthographic pixel array travel in the
         same direction. The width of the starting array must be specified,
         unlike with the default perspective projection. The height of the
         array is deduced from the ratio of pixel dimensions for the image.
-
+        Defaults to zero, i.e. using perspective projection.
     wireframe_thickness : int
         Line thickness employed for drawing wireframes around cells or
-        material regions. Can be set to zero for no wireframes
+        material regions. Can be set to zero for no wireframes at all.
+        Defaults to one pixel.
     wireframe_color : tuple of ints
-        RGB color of the wireframe lines
-    wireframe_regions : iterable of either Material or Cells
+        RGB color of the wireframe lines. Defaults to black.
+    wireframe_domains : iterable of either Material or Cells
         If provided, the wireframe is only drawn around these.
         If color_by is by material, it must be a list of materials, else cells.
-
     xs : dict 
         A mapping from cell/material IDs to floats. The floating point values
         are macroscopic cross sections influencing the volume rendering opacity
         of each geometric region. Zero corresponds to perfect transparency, and
-        infinity equivalent to opaque.
+        infinity equivalent to opaque. These must be set by the user, but default
+        values can be obtained using the set_transparent method.
     """
 
     def __init__(self, plot_id=None, name=''):
@@ -898,7 +893,7 @@ class ProjectionPlot(PlotBase):
         self._orthographic_width = 0.0
         self._wireframe_thickness = 1
         self._wireframe_color = _SVG_COLORS['black']
-        self._wireframe_regions = []
+        self._wireframe_domains = []
         self._xs = {}
 
     @property
@@ -930,8 +925,8 @@ class ProjectionPlot(PlotBase):
         return self._wireframe_color
 
     @property
-    def wireframe_regions(self):
-        return self._wireframe_regions
+    def wireframe_domains(self):
+        return self._wireframe_domains
 
     @property
     def xs(self):
@@ -966,6 +961,7 @@ class ProjectionPlot(PlotBase):
     @orthographic_width.setter
     def orthographic_width(self, orthographic_width):
         cv.check_type('plot orthographic width', orthographic_width, Real)
+        assert orthographic_width >= 0.0
         self._orthographic_width = orthographic_width
 
     @wireframe_thickness.setter
@@ -979,9 +975,9 @@ class ProjectionPlot(PlotBase):
         self._check_color('plot wireframe color', wireframe_color)
         self._wireframe_color = wireframe_color
 
-    @wireframe_regions.setter
-    def wireframe_regions(self, wireframe_regions):
-        for region in wireframe_regions:
+    @wireframe_domains.setter
+    def wireframe_domains(self, wireframe_domains):
+        for region in wireframe_domains:
             if self._color_by == 'material':
                 if not isinstance(region, openmc.Material):
                     raise Exception('Must provide a list of materials for \
@@ -990,7 +986,7 @@ class ProjectionPlot(PlotBase):
                 if not isinstance(region, openmc.Cell):
                     raise Exception('Must provide a list of cells for \
                             wireframe_region if color_by=cell')
-        self._wireframe_regions = wireframe_regions
+        self._wireframe_domains = wireframe_domains
 
     @xs.setter
     def xs(self, xs):
@@ -1032,16 +1028,9 @@ class ProjectionPlot(PlotBase):
 
         """
 
-        element = ET.Element("plot")
-        element.set("id", str(self._id))
-        if self._filename is not None:
-            element.set("filename", self._filename)
-        element.set("color_by", self._color_by)
+        element = super().to_xml_element()
         element.set("type", "projection")
 
-        subelement = ET.SubElement(element, "pixels")
-        subelement.text = ' '.join(map(str, self._pixels))
-
         subelement = ET.SubElement(element, "camera_position")
         subelement.text = ' '.join(map(str, self._camera_position))
 
@@ -1057,29 +1046,13 @@ class ProjectionPlot(PlotBase):
             color = _SVG_COLORS[color.lower()]
         subelement.text = ' '.join(str(x) for x in color)
 
-        if self._wireframe_regions:
-            id_list = [x.id for x in self._wireframe_regions]
+        if self._wireframe_domains:
+            id_list = [x.id for x in self._wireframe_domains]
             subelement = ET.SubElement(element, "wireframe_ids")
             subelement.text = ' '.join([str(x) for x in id_list])
 
-        if self._background is not None:
-            subelement = ET.SubElement(element, "background")
-            color = self._background
-            if isinstance(color, str):
-                color = _SVG_COLORS[color.lower()]
-            subelement.text = ' '.join(str(x) for x in color)
-
-        if self._mask_components is not None:
-            subelement = ET.SubElement(element, "mask")
-            subelement.set("components", ' '.join(
-                str(d.id) for d in self._mask_components))
-            color = self._mask_background
-            if color is not None:
-                if isinstance(color, str):
-                    color = _SVG_COLORS[color.lower()]
-                subelement.set("background", ' '.join(
-                    str(x) for x in color))
-
+        # note that this differs from the slice plot colors
+        # in that "xs" must also be specified
         if self._colors:
             for domain, color in sorted(self._colors.items(),
                                         key=lambda x: x[0].id):
@@ -1090,9 +1063,13 @@ class ProjectionPlot(PlotBase):
                 subelement.set("rgb", ' '.join(str(x) for x in color))
                 subelement.set("xs", str(self._xs[domain]))
 
-        if self._level is not None:
-            subelement = ET.SubElement(element, "level")
-            subelement.text = str(self._level)
+        subelement = ET.SubElement(element, "horizontal_field_of_view")
+        subelement.text = str(self._horizontal_field_of_view)
+
+        # do not need to write if orthographic_width == 0.0
+        if self._orthographic_width > 0.0:
+            subelement = ET.SubElement(element, "orthographic_width")
+            subelement.text = str(self._orthographic_width)
 
         return element
 
@@ -1117,10 +1094,15 @@ class ProjectionPlot(PlotBase):
             plot.filename = elem.get("filename")
         plot.color_by = elem.get("color_by")
         plot.type = "projection"
+        plot.horizontal_field_of_view = elem.get("horizontal_field_of_view")
 
-        plot.pixels = get_tuple(elem, "pixels")
-        plot.camera_position = get_tuple(elem, "camera_position", float)
-        plot.look_at = get_tuple(elem, "look_at", float)
+        tmp = elem.get("horizontal_field_of_view")
+        if tmp is not None:
+            self.orthographic_width = float(tmp)
+
+        plot.pixels = get_elem_tuple(elem, "pixels")
+        plot.camera_position = get_elem_tuple(elem, "camera_position", float)
+        plot.look_at = get_elem_tuple(elem, "look_at", float)
 
         # Attempt to get wireframe thickness. May not be present
         wireframe_thickness = elem.get("wireframe_thickness")
@@ -1135,7 +1117,7 @@ class ProjectionPlot(PlotBase):
         xs = {}
         for color_elem in elem.findall("color"):
             uid = color_elem.get("id")
-            colors[uid] = get_tuple(color_elem, "rgb")
+            colors[uid] = get_elem_tuple(color_elem, "rgb")
             xs[uid] = float(color_elem.get("xs"))
 
         # Set masking information
diff --git a/src/plot.cpp b/src/plot.cpp
index f3262185e..e2102b710 100644
--- a/src/plot.cpp
+++ b/src/plot.cpp
@@ -97,7 +97,7 @@ void PropertyData::set_overlap(size_t y, size_t x)
 namespace model {
 
 std::unordered_map<int, int> plot_map;
-std::vector<std::unique_ptr<PlottableInterface>> plots;
+vector<std::unique_ptr<PlottableInterface>> plots;
 uint64_t plotter_seed = 1;
 
 } // namespace model
@@ -1293,7 +1293,6 @@ void ProjectionPlot::create_output() const
           bool hitsomething = false;
           bool intersection_found = true;
           int loop_counter = 0;
-          const int max_intersections = 1000000;
 
           this_line_segments[tid][horiz].clear();
 
@@ -1342,7 +1341,7 @@ void ProjectionPlot::create_output() const
                 first_surface != -1; // -1 if no surface found
             }
             loop_counter++;
-            if (loop_counter > max_intersections)
+            if (loop_counter > MAX_INTERSECTIONS)
               fatal_error("Infinite loop in projection plot");
           }
 
@@ -1421,6 +1420,8 @@ void ProjectionPlot::create_output() const
           for (int j = -wireframe_thickness_ / 2; j < wireframe_thickness_ / 2;
                ++j)
             if (i * i + j * j < wireframe_thickness_ * wireframe_thickness_) {
+
+              // Check if wireframe pixel is out of bounds
               if (horiz + i >= 0 && horiz + i < pixels_[0] && vert + j >= 0 &&
                   vert + j < pixels_[1])
                 data(horiz + i, vert + j) = wireframe_color_;

From 5e47f9daa4b9ebae0458afb11271227eb977f635 Mon Sep 17 00:00:00 2001
From: Gavin Ridley <gavin.keith.ridley@gmail.com>
Date: Sun, 19 Mar 2023 14:56:55 -0400
Subject: [PATCH 1731/2654] fix failing tests, remove redundant PlotTestHarness
 code

---
 include/openmc/plot.h                         |  1 +
 openmc/plots.py                               | 37 ++++++------
 .../distribmat/inputs_true.dat                |  4 +-
 tests/regression_tests/plot/test.py           | 55 +-----------------
 tests/regression_tests/plot_overlaps/test.py  | 55 +-----------------
 .../regression_tests/plot_projections/test.py | 56 +------------------
 tests/regression_tests/plot_voxel/test.py     | 55 +-----------------
 tests/testing_harness.py                      | 54 ++++++++++++++++++
 8 files changed, 83 insertions(+), 234 deletions(-)

diff --git a/include/openmc/plot.h b/include/openmc/plot.h
index fc78c250b..225242c70 100644
--- a/include/openmc/plot.h
+++ b/include/openmc/plot.h
@@ -295,6 +295,7 @@ private:
    * to mean not having matching intersection lengths, but rather having
    * a matching sequence of surface/cell/material intersections.
    */
+  struct TrackSegment;
   bool trackstack_equivalent(const vector<TrackSegment>& track1,
     const vector<TrackSegment>& track2) const;
 
diff --git a/openmc/plots.py b/openmc/plots.py
index 508fb6c23..2e6e9bcb9 100644
--- a/openmc/plots.py
+++ b/openmc/plots.py
@@ -194,7 +194,7 @@ class PlotBase(IDManagerMixin):
     name : str
         Name of the plot
     pixels : Iterable of int
-        Number of pixels to use in each basis direction
+        Number of pixels to use in each direction
     filename :
         Path to write the plot to
     color_by : {'cell', 'material'}
@@ -358,6 +358,12 @@ class PlotBase(IDManagerMixin):
                 cv.check_greater_than('RGB component', rgb, 0, True)
                 cv.check_less_than('RGB component', rgb, 256)
 
+    # Helper function that returns the domain ID given either a
+    # Cell/Material object or the domain ID itself
+    @staticmethod
+    def _get_id(domain):
+        return domain if isinstance(domain, Integral) else domain.id
+
     def colorize(self, geometry, seed=1):
         """Generate a color scheme for each domain in the plot.
 
@@ -401,7 +407,6 @@ class PlotBase(IDManagerMixin):
         """
 
         element = ET.Element("plot")
-        element.set("id", str(self._id))
         if self._filename is not None:
             element.set("filename", self._filename)
         element.set("color_by", self._color_by)
@@ -419,7 +424,7 @@ class PlotBase(IDManagerMixin):
         if self._mask_components is not None:
             subelement = ET.SubElement(element, "mask")
             subelement.set("components", ' '.join(
-                str(get_id(d)) for d in self._mask_components))
+                str(PlotBase._get_id(d)) for d in self._mask_components))
             color = self._mask_background
             if color is not None:
                 if isinstance(color, str):
@@ -505,7 +510,7 @@ class Plot(PlotBase):
 
     @type.setter
     def type(self, plottype):
-        cv.check_value('plot type', plottype, ['slice', 'voxel'])
+        cv.check_value('plot type', plottype, ['slice', 'voxel', 'projection'])
         self._type = plottype
 
     @basis.setter
@@ -674,6 +679,7 @@ class Plot(PlotBase):
         """
 
         element = super().to_xml_element()
+        element.set("id", str(self._id))
         element.set("type", self._type)
 
         if self._type == 'slice':
@@ -685,16 +691,11 @@ class Plot(PlotBase):
         subelement = ET.SubElement(element, "width")
         subelement.text = ' '.join(map(str, self._width))
 
-        # Helper function that returns the domain ID given either a
-        # Cell/Material object or the domain ID itself
-        def get_id(domain):
-            return domain if isinstance(domain, Integral) else domain.id
-
         if self._colors:
             for domain, color in sorted(self._colors.items(),
-                                        key=lambda x: get_id(x[0])):
+                                        key=lambda x: PlotBase._get_id(x[0])):
                 subelement = ET.SubElement(element, "color")
-                subelement.set("id", str(get_id(domain)))
+                subelement.set("id", str(PlotBase._get_id(domain)))
                 if isinstance(color, str):
                     color = _SVG_COLORS[color.lower()]
                 subelement.set("rgb", ' '.join(str(x) for x in color))
@@ -1029,6 +1030,7 @@ class ProjectionPlot(PlotBase):
         """
 
         element = super().to_xml_element()
+        element.set("id", str(self._id))
         element.set("type", "projection")
 
         subelement = ET.SubElement(element, "camera_position")
@@ -1094,9 +1096,12 @@ class ProjectionPlot(PlotBase):
             plot.filename = elem.get("filename")
         plot.color_by = elem.get("color_by")
         plot.type = "projection"
-        plot.horizontal_field_of_view = elem.get("horizontal_field_of_view")
 
-        tmp = elem.get("horizontal_field_of_view")
+        horizontal_fov = elem.find("horizontal_field_of_view")
+        if horizontal_fov is not None:
+            plot.horizontal_field_of_view = float(horizontal_fov.text)
+
+        tmp = elem.find("orthographic_width")
         if tmp is not None:
             self.orthographic_width = float(tmp)
 
@@ -1300,11 +1305,11 @@ class Plots(cv.CheckedList):
         # Generate each plot
         plots = cls()
         for e in elem.findall('plot'):
-            plot_type = elem.get('type')
+            plot_type = e.get('type')
             if plot_type == 'projection':
-                plots.append(ProjectionPlot.from_xml_element(elem))
+                plots.append(ProjectionPlot.from_xml_element(e))
             else:
-                plots.append(Plot.from_xml_element(elem))
+                plots.append(Plot.from_xml_element(e))
         return plots
 
     @classmethod
diff --git a/tests/regression_tests/distribmat/inputs_true.dat b/tests/regression_tests/distribmat/inputs_true.dat
index f6c43c19a..adc9bf3fb 100644
--- a/tests/regression_tests/distribmat/inputs_true.dat
+++ b/tests/regression_tests/distribmat/inputs_true.dat
@@ -48,14 +48,14 @@
   </settings>
   <plots>
     <plot basis="xy" color_by="cell" filename="cellplot" id="1" type="slice">
+      <pixels>400 400</pixels>
       <origin>0 0 0</origin>
       <width>7 7</width>
-      <pixels>400 400</pixels>
     </plot>
     <plot basis="xy" color_by="material" filename="matplot" id="2" type="slice">
+      <pixels>400 400</pixels>
       <origin>0 0 0</origin>
       <width>7 7</width>
-      <pixels>400 400</pixels>
     </plot>
   </plots>
 </model>
diff --git a/tests/regression_tests/plot/test.py b/tests/regression_tests/plot/test.py
index 2fd6a5b79..30d9ab0d0 100644
--- a/tests/regression_tests/plot/test.py
+++ b/tests/regression_tests/plot/test.py
@@ -1,60 +1,7 @@
-import glob
-import hashlib
-import os
-
-import h5py
-import openmc
-
-from tests.testing_harness import TestHarness
+from tests.testing_harness import PlotTestHarness
 from tests.regression_tests import config
 
 
-class PlotTestHarness(TestHarness):
-    """Specialized TestHarness for running OpenMC plotting tests."""
-    def __init__(self, plot_names):
-        super().__init__(None)
-        self._plot_names = plot_names
-
-    def _run_openmc(self):
-        openmc.plot_geometry(openmc_exec=config['exe'])
-
-    def _test_output_created(self):
-        """Make sure *.png has been created."""
-        for fname in self._plot_names:
-            assert os.path.exists(fname), 'Plot output file does not exist.'
-
-    def _cleanup(self):
-        super()._cleanup()
-        for fname in self._plot_names:
-            if os.path.exists(fname):
-                os.remove(fname)
-
-    def _get_results(self):
-        """Return a string hash of the plot files."""
-        outstr = bytes()
-
-        for fname in self._plot_names:
-            if fname.endswith('.png'):
-                # Add PNG output to results
-                with open(fname, 'rb') as fh:
-                    outstr += fh.read()
-            elif fname.endswith('.h5'):
-                # Add voxel data to results
-                with h5py.File(fname, 'r') as fh:
-                    outstr += fh.attrs['filetype']
-                    outstr += fh.attrs['num_voxels'].tobytes()
-                    outstr += fh.attrs['lower_left'].tobytes()
-                    outstr += fh.attrs['voxel_width'].tobytes()
-                    outstr += fh['data'][()].tobytes()
-
-        # Hash the information and return.
-        sha512 = hashlib.sha512()
-        sha512.update(outstr)
-        outstr = sha512.hexdigest()
-
-        return outstr
-
-
 def test_plot():
     harness = PlotTestHarness(('plot_1.png', 'plot_2.png', 'plot_3.png',
                                'plot_4.h5'))
diff --git a/tests/regression_tests/plot_overlaps/test.py b/tests/regression_tests/plot_overlaps/test.py
index cf23abc27..0828c6e25 100644
--- a/tests/regression_tests/plot_overlaps/test.py
+++ b/tests/regression_tests/plot_overlaps/test.py
@@ -1,60 +1,7 @@
-import glob
-import hashlib
-import os
-
-import h5py
-import openmc
-
-from tests.testing_harness import TestHarness
+from tests.testing_harness import PlotTestHarness
 from tests.regression_tests import config
 
 
-class PlotTestHarness(TestHarness):
-    """Specialized TestHarness for running OpenMC plotting tests."""
-    def __init__(self, plot_names):
-        super().__init__(None)
-        self._plot_names = plot_names
-
-    def _run_openmc(self):
-        openmc.plot_geometry(openmc_exec=config['exe'])
-
-    def _test_output_created(self):
-        """Make sure *.png has been created."""
-        for fname in self._plot_names:
-            assert os.path.exists(fname), 'Plot output file does not exist.'
-
-    def _cleanup(self):
-        super()._cleanup()
-        for fname in self._plot_names:
-            if os.path.exists(fname):
-                os.remove(fname)
-
-    def _get_results(self):
-        """Return a string hash of the plot files."""
-        outstr = bytes()
-
-        for fname in self._plot_names:
-            if fname.endswith('.png'):
-                # Add PNG output to results
-                with open(fname, 'rb') as fh:
-                    outstr += fh.read()
-            elif fname.endswith('.h5'):
-                # Add voxel data to results
-                with h5py.File(fname, 'r') as fh:
-                    outstr += fh.attrs['filetype']
-                    outstr += fh.attrs['num_voxels'].tobytes()
-                    outstr += fh.attrs['lower_left'].tobytes()
-                    outstr += fh.attrs['voxel_width'].tobytes()
-                    outstr += fh['data'][()].tobytes()
-
-        # Hash the information and return.
-        sha512 = hashlib.sha512()
-        sha512.update(outstr)
-        outstr = sha512.hexdigest()
-
-        return outstr
-
-
 def test_plot_overlap():
     harness = PlotTestHarness(('plot_1.png', 'plot_2.png', 'plot_3.png',
                                'plot_4.h5'))
diff --git a/tests/regression_tests/plot_projections/test.py b/tests/regression_tests/plot_projections/test.py
index c390a06ab..cf18503f4 100644
--- a/tests/regression_tests/plot_projections/test.py
+++ b/tests/regression_tests/plot_projections/test.py
@@ -1,60 +1,6 @@
-import glob
-import hashlib
-import os
-
-import h5py
-import openmc
-
-from tests.testing_harness import TestHarness
+from tests.testing_harness import PlotTestHarness
 from tests.regression_tests import config
 
-
-class PlotTestHarness(TestHarness):
-    """Specialized TestHarness for running OpenMC plotting tests."""
-    def __init__(self, plot_names):
-        super().__init__(None)
-        self._plot_names = plot_names
-
-    def _run_openmc(self):
-        openmc.plot_geometry(openmc_exec=config['exe'])
-
-    def _test_output_created(self):
-        """Make sure *.png has been created."""
-        for fname in self._plot_names:
-            assert os.path.exists(fname), 'Plot output file does not exist.'
-
-    def _cleanup(self):
-        super()._cleanup()
-        for fname in self._plot_names:
-            if os.path.exists(fname):
-                os.remove(fname)
-
-    def _get_results(self):
-        """Return a string hash of the plot files."""
-        outstr = bytes()
-
-        for fname in self._plot_names:
-            if fname.endswith('.png'):
-                # Add PNG output to results
-                with open(fname, 'rb') as fh:
-                    outstr += fh.read()
-            elif fname.endswith('.h5'):
-                # Add voxel data to results
-                with h5py.File(fname, 'r') as fh:
-                    outstr += fh.attrs['filetype']
-                    outstr += fh.attrs['num_voxels'].tobytes()
-                    outstr += fh.attrs['lower_left'].tobytes()
-                    outstr += fh.attrs['voxel_width'].tobytes()
-                    outstr += fh['data'][()].tobytes()
-
-        # Hash the information and return.
-        sha512 = hashlib.sha512()
-        sha512.update(outstr)
-        outstr = sha512.hexdigest()
-
-        return outstr
-
-
 def test_plot():
     harness = PlotTestHarness(('plot_1.png', 'example1.png', 'example2.png', 'example3.png', 'orthographic_example1.png'))
     harness.main()
diff --git a/tests/regression_tests/plot_voxel/test.py b/tests/regression_tests/plot_voxel/test.py
index c4fa20c80..e034decf7 100644
--- a/tests/regression_tests/plot_voxel/test.py
+++ b/tests/regression_tests/plot_voxel/test.py
@@ -1,62 +1,11 @@
-import glob
-import hashlib
-import os
-from subprocess import check_call
-
-import h5py
-import openmc
 import pytest
 
-from tests.testing_harness import TestHarness
+from tests.testing_harness import PlotTestHarness
 from tests.regression_tests import config
 
 
 vtk = pytest.importorskip('vtk')
-class PlotVoxelTestHarness(TestHarness):
-    """Specialized TestHarness for running OpenMC voxel plot tests."""
-    def __init__(self, plot_names):
-        super().__init__(None)
-        self._plot_names = plot_names
-
-    def _run_openmc(self):
-        openmc.plot_geometry(openmc_exec=config['exe'])
-
-        check_call(['../../../scripts/openmc-voxel-to-vtk'] +
-                   glob.glob('plot_4.h5'))
-
-    def _test_output_created(self):
-        """Make sure plots have been created."""
-        for fname in self._plot_names:
-            assert os.path.exists(fname), 'Plot output file does not exist.'
-
-    def _cleanup(self):
-        super()._cleanup()
-        for fname in self._plot_names:
-            if os.path.exists(fname):
-                os.remove(fname)
-
-    def _get_results(self):
-        """Return a string hash of the plot files."""
-        outstr = bytes()
-
-        for fname in self._plot_names:
-            if fname.endswith('.h5'):
-                # Add voxel data to results
-                with h5py.File(fname, 'r') as fh:
-                    outstr += fh.attrs['filetype']
-                    outstr += fh.attrs['num_voxels'].tobytes()
-                    outstr += fh.attrs['lower_left'].tobytes()
-                    outstr += fh.attrs['voxel_width'].tobytes()
-                    outstr += fh['data'][()].tobytes()
-
-        # Hash the information and return.
-        sha512 = hashlib.sha512()
-        sha512.update(outstr)
-        outstr = sha512.hexdigest()
-
-        return outstr
-
 
 def test_plot_voxel():
-    harness = PlotVoxelTestHarness(('plot_4.h5', 'plot.vti'))
+    harness = PlotTestHarness(('plot_4.h5', 'plot.vti'), voxel_convert_checks=['plot_4.h5'])
     harness.main()
diff --git a/tests/testing_harness.py b/tests/testing_harness.py
index 157f6e640..f0edf4ea4 100644
--- a/tests/testing_harness.py
+++ b/tests/testing_harness.py
@@ -1,6 +1,8 @@
 from difflib import unified_diff
+from subprocess import check_call
 import filecmp
 import glob
+import h5py
 import hashlib
 import os
 import shutil
@@ -380,3 +382,55 @@ class HashedPyAPITestHarness(PyAPITestHarness):
     def _get_results(self):
         """Digest info in the statepoint and return as a string."""
         return super()._get_results(True)
+
+
+class PlotTestHarness(TestHarness):
+    """Specialized TestHarness for running OpenMC plotting tests."""
+    def __init__(self, plot_names, voxel_convert_checks=[]):
+        super().__init__(None)
+        self._plot_names = plot_names
+        self._voxel_convert_checks = voxel_convert_checks
+
+    def _run_openmc(self):
+        openmc.plot_geometry(openmc_exec=config['exe'])
+
+        # Check that voxel h5 can be converted to vtk
+        for voxel_h5_filename in self._voxel_convert_checks:
+            check_call(['../../../scripts/openmc-voxel-to-vtk'] +
+                       glob.glob(voxel_h5_filename))
+
+    def _test_output_created(self):
+        """Make sure *.png has been created."""
+        for fname in self._plot_names:
+            assert os.path.exists(fname), 'Plot output file does not exist.'
+
+    def _cleanup(self):
+        super()._cleanup()
+        for fname in self._plot_names:
+            if os.path.exists(fname):
+                os.remove(fname)
+
+    def _get_results(self):
+        """Return a string hash of the plot files."""
+        outstr = bytes()
+
+        for fname in self._plot_names:
+            if fname.endswith('.png'):
+                # Add PNG output to results
+                with open(fname, 'rb') as fh:
+                    outstr += fh.read()
+            elif fname.endswith('.h5'):
+                # Add voxel data to results
+                with h5py.File(fname, 'r') as fh:
+                    outstr += fh.attrs['filetype']
+                    outstr += fh.attrs['num_voxels'].tobytes()
+                    outstr += fh.attrs['lower_left'].tobytes()
+                    outstr += fh.attrs['voxel_width'].tobytes()
+                    outstr += fh['data'][()].tobytes()
+
+        # Hash the information and return.
+        sha512 = hashlib.sha512()
+        sha512.update(outstr)
+        outstr = sha512.hexdigest()
+
+        return outstr

From adf2047b6ee8cc0791b331196264bc252dc2403d Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 9 Jun 2022 17:42:32 -0500
Subject: [PATCH 1732/2654] Refactor of DAGMC next_cell

---
 include/openmc/dagmc.h |  3 +--
 src/dagmc.cpp          | 25 +++++++++++++++----------
 src/particle.cpp       |  8 +-------
 3 files changed, 17 insertions(+), 19 deletions(-)

diff --git a/include/openmc/dagmc.h b/include/openmc/dagmc.h
index 993076347..5451474d0 100644
--- a/include/openmc/dagmc.h
+++ b/include/openmc/dagmc.h
@@ -168,8 +168,7 @@ private:
 // Non-member functions
 //==============================================================================
 
-int32_t next_cell(
-  DAGUniverse* dag_univ, DAGCell* cur_cell, DAGSurface* surf_xed);
+int32_t next_cell(int32_t surf, int32_t curr_cell, int32_t univ);
 
 } // namespace openmc
 
diff --git a/src/dagmc.cpp b/src/dagmc.cpp
index 01ce8ef11..243c62e7f 100644
--- a/src/dagmc.cpp
+++ b/src/dagmc.cpp
@@ -728,19 +728,21 @@ void check_dagmc_root_univ()
   }
 }
 
-int32_t next_cell(
-  DAGUniverse* dag_univ, DAGCell* cur_cell, DAGSurface* surf_xed)
-{
-  moab::EntityHandle surf =
-    surf_xed->dagmc_ptr()->entity_by_index(2, surf_xed->dag_index());
-  moab::EntityHandle vol =
-    cur_cell->dagmc_ptr()->entity_by_index(3, cur_cell->dag_index());
+int32_t next_cell(int32_t surf, int32_t curr_cell, int32_t univ) {
+  auto surfp = dynamic_cast<DAGSurface*>(model::surfaces[surf - 1].get());
+  auto cellp = dynamic_cast<DAGCell*>(model::cells[curr_cell].get());
+  auto univp = static_cast<DAGUniverse*>(model::universes[univ].get());
+
+  moab::EntityHandle surf_handle =
+    surfp->dagmc_ptr()->entity_by_index(2, surfp->dag_index());
+  moab::EntityHandle curr_vol =
+    cellp->dagmc_ptr()->entity_by_index(3, cellp->dag_index());
 
   moab::EntityHandle new_vol;
-  cur_cell->dagmc_ptr()->next_vol(surf, vol, new_vol);
+  cellp->dagmc_ptr()->next_vol(surf_handle, curr_vol, new_vol);
 
-  return cur_cell->dagmc_ptr()->index_by_handle(new_vol) +
-         dag_univ->cell_idx_offset_;
+  return cellp->dagmc_ptr()->index_by_handle(new_vol) +
+         univp->cell_idx_offset_;
 }
 
 } // namespace openmc
@@ -756,8 +758,11 @@ void read_dagmc_universes(pugi::xml_node node)
                 "with DAGMC");
   }
 };
+
 void check_dagmc_root_univ() {};
 
+int32_t next_cell(int32_t surf, int32_t curr_cell, int32_t univ);
+
 } // namespace openmc
 
 #endif // DAGMC
diff --git a/src/particle.cpp b/src/particle.cpp
index cb959e14d..1ec95a4ae 100644
--- a/src/particle.cpp
+++ b/src/particle.cpp
@@ -433,13 +433,7 @@ void Particle::cross_surface()
 #ifdef DAGMC
   // in DAGMC, we know what the next cell should be
   if (surf->geom_type_ == GeometryType::DAG) {
-    auto surfp = dynamic_cast<DAGSurface*>(surf);
-    auto cellp =
-      dynamic_cast<DAGCell*>(model::cells[cell_last(n_coord() - 1)].get());
-    auto univp = static_cast<DAGUniverse*>(
-      model::universes[coord(n_coord() - 1).universe].get());
-    // determine the next cell for this crossing
-    int32_t i_cell = next_cell(univp, cellp, surfp) - 1;
+    int32_t i_cell = next_cell(i_surface, cell_last(n_coord() - 1), lowest_coord().universe) - 1;
     // save material and temp
     material_last() = material();
     sqrtkT_last() = sqrtkT();

From a8ed9bde8f68a7218066ff828db9da43c0917b41 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 9 Jun 2022 19:33:22 -0500
Subject: [PATCH 1733/2654] Hacks to get project plots working w/ DAGMC

---
 src/dagmc.cpp |  3 ++-
 src/plot.cpp  | 12 +++++++++++-
 2 files changed, 13 insertions(+), 2 deletions(-)

diff --git a/src/dagmc.cpp b/src/dagmc.cpp
index 243c62e7f..f6ed134e7 100644
--- a/src/dagmc.cpp
+++ b/src/dagmc.cpp
@@ -739,7 +739,8 @@ int32_t next_cell(int32_t surf, int32_t curr_cell, int32_t univ) {
     cellp->dagmc_ptr()->entity_by_index(3, cellp->dag_index());
 
   moab::EntityHandle new_vol;
-  cellp->dagmc_ptr()->next_vol(surf_handle, curr_vol, new_vol);
+  moab::ErrorCode rval = cellp->dagmc_ptr()->next_vol(surf_handle, curr_vol, new_vol);
+  if (rval != moab::MB_SUCCESS) return -1;
 
   return cellp->dagmc_ptr()->index_by_handle(new_vol) +
          univp->cell_idx_offset_;
diff --git a/src/plot.cpp b/src/plot.cpp
index e2102b710..a8047c13a 100644
--- a/src/plot.cpp
+++ b/src/plot.cpp
@@ -14,6 +14,7 @@
 #endif
 
 #include "openmc/constants.h"
+#include "openmc/dagmc.h"
 #include "openmc/error.h"
 #include "openmc/file_utils.h"
 #include "openmc/geometry.h"
@@ -1300,7 +1301,16 @@ void ProjectionPlot::create_output() const
             -1; // surface first passed when entering the model
           bool first_inside_model = true; // false after entering the model
           while (intersection_found) {
-            bool inside_cell = exhaustive_find_cell(p);
+            bool inside_cell = false;
+
+            int32_t i_surface = std::abs(p.surface()) - 1;
+            if (i_surface > 0 && model::surfaces[i_surface]->geom_type_ == GeometryType::DAG) {
+              int32_t i_cell = next_cell(i_surface, p.cell_last(p.n_coord() - 1), p.lowest_coord().universe);
+              inside_cell = i_cell >= 0;
+            } else {
+              inside_cell = exhaustive_find_cell(p);
+            }
+
             if (inside_cell) {
 
               // This allows drawing wireframes with surface intersection

From abdc9be9a00f9f28cfa553581eeaab4dea375c75 Mon Sep 17 00:00:00 2001
From: Gavin Ridley <gavin.keith.ridley@gmail.com>
Date: Mon, 20 Mar 2023 10:44:09 -0400
Subject: [PATCH 1734/2654] guard dagmc function call for non dagmc build in
 plotting

---
 src/plot.cpp | 4 ++++
 1 file changed, 4 insertions(+)

diff --git a/src/plot.cpp b/src/plot.cpp
index a8047c13a..88593f4a3 100644
--- a/src/plot.cpp
+++ b/src/plot.cpp
@@ -1305,8 +1305,12 @@ void ProjectionPlot::create_output() const
 
             int32_t i_surface = std::abs(p.surface()) - 1;
             if (i_surface > 0 && model::surfaces[i_surface]->geom_type_ == GeometryType::DAG) {
+#ifdef DAGMC
               int32_t i_cell = next_cell(i_surface, p.cell_last(p.n_coord() - 1), p.lowest_coord().universe);
               inside_cell = i_cell >= 0;
+#else
+              fatal_error("Not compiled for DAGMC, but somehow you have a DAGCell!");
+#endif
             } else {
               inside_cell = exhaustive_find_cell(p);
             }

From 62859d39bacdadb6acf2c203f38f881381b10a85 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Mon, 3 Apr 2023 12:17:23 -0500
Subject: [PATCH 1735/2654] Ignoring lost particles in DAGMC universes if in
 plotting mode

---
 src/dagmc.cpp | 1 +
 1 file changed, 1 insertion(+)

diff --git a/src/dagmc.cpp b/src/dagmc.cpp
index f6ed134e7..04c8424aa 100644
--- a/src/dagmc.cpp
+++ b/src/dagmc.cpp
@@ -603,6 +603,7 @@ std::pair<double, int32_t> DAGCell::distance(
     // indicate that particle is lost
     surf_idx = -1;
     dist = INFINITY;
+    if (settings::run_mode == RunMode::PLOTTING) return {dist, surf_idx};
     if (!dagmc_ptr_->is_implicit_complement(vol) ||
         model::universe_map[dag_univ->id_] == model::root_universe) {
       std::string material_id = p->material() == MATERIAL_VOID

From 5c4144d520c9323e5af26c18e2c9bb03d13cf877 Mon Sep 17 00:00:00 2001
From: Gavin Ridley <gavin.keith.ridley@gmail.com>
Date: Wed, 5 Apr 2023 11:05:30 -0400
Subject: [PATCH 1736/2654] idiomatic thresholding

Co-authored-by: Patrick Shriwise <pshriwise@gmail.com>
---
 src/plot.cpp | 6 +++---
 1 file changed, 3 insertions(+), 3 deletions(-)

diff --git a/src/plot.cpp b/src/plot.cpp
index 88593f4a3..8912bb9b0 100644
--- a/src/plot.cpp
+++ b/src/plot.cpp
@@ -1436,9 +1436,9 @@ void ProjectionPlot::create_output() const
             if (i * i + j * j < wireframe_thickness_ * wireframe_thickness_) {
 
               // Check if wireframe pixel is out of bounds
-              if (horiz + i >= 0 && horiz + i < pixels_[0] && vert + j >= 0 &&
-                  vert + j < pixels_[1])
-                data(horiz + i, vert + j) = wireframe_color_;
+              int w_i = std::max(std::min(horiz + i, pixels_[0]), 0);
+              int w_j = std::max(std::min(vert + j, pixels_[1]), 0);
+              data(i, j) = wireframe_color_;
             }
       }
     }

From a92f2d1f9fdf04f64790390ae18050b9b80dd453 Mon Sep 17 00:00:00 2001
From: Gavin Ridley <gavin.keith.ridley@gmail.com>
Date: Wed, 5 Apr 2023 11:50:45 -0400
Subject: [PATCH 1737/2654] avoid segfault with idiomatic thresholding, rays
 through pixel centers

---
 src/plot.cpp                                         | 12 +++++++-----
 .../plot_projections/results_true.dat                |  2 +-
 2 files changed, 8 insertions(+), 6 deletions(-)

diff --git a/src/plot.cpp b/src/plot.cpp
index 8912bb9b0..1f629e901 100644
--- a/src/plot.cpp
+++ b/src/plot.cpp
@@ -1273,8 +1273,10 @@ void ProjectionPlot::create_output() const
 
           // Generate the starting position/direction of the ray
           if (orthographic_width_ == 0.0) { // perspective projection
-            double this_phi = -horiz_fov_radians / 2.0 + dphi * horiz;
-            double this_mu = -vert_fov_radians / 2.0 + dmu * vert + M_PI / 2.0;
+            double this_phi =
+              -horiz_fov_radians / 2.0 + dphi * horiz + 0.5 * dphi;
+            double this_mu =
+              -vert_fov_radians / 2.0 + dmu * vert + M_PI / 2.0 + 0.5 * dmu;
             Direction camera_local_vec;
             camera_local_vec.x = std::cos(this_phi) * std::sin(this_mu);
             camera_local_vec.y = std::sin(this_phi) * std::sin(this_mu);
@@ -1436,9 +1438,9 @@ void ProjectionPlot::create_output() const
             if (i * i + j * j < wireframe_thickness_ * wireframe_thickness_) {
 
               // Check if wireframe pixel is out of bounds
-              int w_i = std::max(std::min(horiz + i, pixels_[0]), 0);
-              int w_j = std::max(std::min(vert + j, pixels_[1]), 0);
-              data(i, j) = wireframe_color_;
+              int w_i = std::max(std::min(horiz + i, pixels_[0] - 1), 0);
+              int w_j = std::max(std::min(vert + j, pixels_[1] - 1), 0);
+              data(w_i, w_j) = wireframe_color_;
             }
       }
     }
diff --git a/tests/regression_tests/plot_projections/results_true.dat b/tests/regression_tests/plot_projections/results_true.dat
index 64410ac93..a2cb57b1e 100644
--- a/tests/regression_tests/plot_projections/results_true.dat
+++ b/tests/regression_tests/plot_projections/results_true.dat
@@ -1 +1 @@
-a8c00451d0766c73a1c03769a12524fa4e08246e253fedd9f75c1b81889d3a71ff7782197090ca3aff4f58d8c863203028347338b3a1e3d78af14e3716482b96
\ No newline at end of file
+6448093f8acaa2af02452ec1b29461ffaf89628bb002cc8873a3a6831fe5d613645a197033597e5a064896388f19d0782f05e78ce474354ae2a76c35ff4551d7
\ No newline at end of file

From 7fb21d7e7982e4b22b4ff88defbefc278258b910 Mon Sep 17 00:00:00 2001
From: Gavin Ridley <gavin.keith.ridley@gmail.com>
Date: Wed, 5 Apr 2023 12:03:03 -0400
Subject: [PATCH 1738/2654] add repr to projection plot

---
 openmc/plots.py | 61 ++++++++++++++++++++++++++++++++++++++-----------
 1 file changed, 48 insertions(+), 13 deletions(-)

diff --git a/openmc/plots.py b/openmc/plots.py
index 2e6e9bcb9..c3cd88da1 100644
--- a/openmc/plots.py
+++ b/openmc/plots.py
@@ -438,6 +438,7 @@ class PlotBase(IDManagerMixin):
 
         return element
 
+
 class Plot(PlotBase):
     '''Definition of a finite region of space to be plotted.
 
@@ -468,6 +469,7 @@ class Plot(PlotBase):
         plotted on top of a plot
 
     '''
+
     def __init__(self, plot_id=None, name=''):
         super().__init__(plot_id, name)
         self._width = [4.0, 4.0]
@@ -518,7 +520,6 @@ class Plot(PlotBase):
         cv.check_value('plot basis', basis, _BASES)
         self._basis = basis
 
-
     @meshlines.setter
     def meshlines(self, meshlines):
         cv.check_type('plot meshlines', meshlines, dict)
@@ -538,7 +539,8 @@ class Plot(PlotBase):
                                   equality=True)
 
         if 'linewidth' in meshlines:
-            cv.check_type('plot mesh linewidth', meshlines['linewidth'], Integral)
+            cv.check_type('plot mesh linewidth',
+                          meshlines['linewidth'], Integral)
             cv.check_greater_than('plot mesh linewidth', meshlines['linewidth'],
                                   0, equality=True)
 
@@ -570,7 +572,6 @@ class Plot(PlotBase):
         string += '{: <16}=\t{}\n'.format('\tMeshlines', self._meshlines)
         return string
 
-
     @classmethod
     def from_geometry(cls, geometry, basis='xy', slice_coord=0.):
         """Return plot that encompasses a geometry.
@@ -711,7 +712,6 @@ class Plot(PlotBase):
                 subelement = ET.SubElement(element, "overlap_color")
                 subelement.text = ' '.join(str(x) for x in color)
 
-
         if self._meshlines is not None:
             subelement = ET.SubElement(element, "meshlines")
             subelement.set("meshtype", self._meshlines['type'])
@@ -757,16 +757,19 @@ class Plot(PlotBase):
         colors = {}
         for color_elem in elem.findall("color"):
             uid = int(color_elem.get("id"))
-            colors[uid] = tuple([int(x) for x in color_elem.get("rgb").split()])
+            colors[uid] = tuple([int(x)
+                                for x in color_elem.get("rgb").split()])
         plot.colors = colors
 
         # Set masking information
         mask_elem = elem.find("mask")
         if mask_elem is not None:
-            plot.mask_components = [int(x) for x in mask_elem.get("components").split()]
+            plot.mask_components = [
+                int(x) for x in mask_elem.get("components").split()]
             background = mask_elem.get("background")
             if background is not None:
-                plot.mask_background = tuple([int(x) for x in background.split()])
+                plot.mask_background = tuple(
+                    [int(x) for x in background.split()])
 
         # show overlaps
         overlap_elem = elem.find("show_overlaps")
@@ -828,6 +831,7 @@ class Plot(PlotBase):
         # Return produced image
         return _get_plot_image(self, cwd)
 
+
 class ProjectionPlot(PlotBase):
     """Definition of a camera's view of OpenMC geometry
 
@@ -936,7 +940,7 @@ class ProjectionPlot(PlotBase):
     @horizontal_field_of_view.setter
     def horizontal_field_of_view(self, horizontal_field_of_view):
         cv.check_type('plot horizontal field of view', horizontal_field_of_view,
-                Real)
+                      Real)
         assert horizontal_field_of_view > 0.0
         assert horizontal_field_of_view < 180.0
         self._horizontal_field_of_view = horizontal_field_of_view
@@ -967,7 +971,8 @@ class ProjectionPlot(PlotBase):
 
     @wireframe_thickness.setter
     def wireframe_thickness(self, wireframe_thickness):
-        cv.check_type('plot wireframe thickness', wireframe_thickness, Integral)
+        cv.check_type('plot wireframe thickness',
+                      wireframe_thickness, Integral)
         assert wireframe_thickness >= 0
         self._wireframe_thickness = wireframe_thickness
 
@@ -1075,6 +1080,33 @@ class ProjectionPlot(PlotBase):
 
         return element
 
+    def __repr__(self):
+        string = 'Projection Plot\n'
+        string += '{: <16}=\t{}\n'.format('\tID', self._id)
+        string += '{: <16}=\t{}\n'.format('\tName', self._name)
+        string += '{: <16}=\t{}\n'.format('\tFilename', self._filename)
+        string += '{: <16}=\t{}\n'.format('\tHorizontal FOV',
+                                          self._horizontal_field_of_view)
+        string += '{: <16}=\t{}\n'.format('\tOrthographic width',
+                                          self._orthographic_width)
+        string += '{: <16}=\t{}\n'.format('\tWireframe thickness',
+                                          self._wireframe_thickness)
+        string += '{: <16}=\t{}\n'.format('\tWireframe color',
+                                          self._wireframe_color)
+        string += '{: <16}=\t{}\n'.format('\tWireframe domains',
+                                          self._wireframe_domains)
+        string += '{: <16}=\t{}\n'.format('\tCamera position',
+                                          self._camera_position)
+        string += '{: <16}=\t{}\n'.format('\tLook at', self._look_at)
+        string += '{: <16}=\t{}\n'.format('\tUp', self._up)
+        string += '{: <16}=\t{}\n'.format('\tPixels', self._pixels)
+        string += '{: <16}=\t{}\n'.format('\tColor by', self._color_by)
+        string += '{: <16}=\t{}\n'.format('\tBackground', self._background)
+        string += '{: <16}=\t{}\n'.format('\tColors', self._colors)
+        string += '{: <16}=\t{}\n'.format('\tTransparencies', self._xs)
+        string += '{: <16}=\t{}\n'.format('\tLevel', self._level)
+        return string
+
     @classmethod
     def from_xml_element(cls, elem):
         """Generate plot object from an XML element
@@ -1128,11 +1160,13 @@ class ProjectionPlot(PlotBase):
         # Set masking information
         mask_elem = elem.find("mask")
         if mask_elem is not None:
-            mask_components = [int(x) for x in mask_elem.get("components").split()]
+            mask_components = [int(x)
+                               for x in mask_elem.get("components").split()]
             # TODO: set mask components (needs geometry information)
             background = mask_elem.get("background")
             if background is not None:
-                plot.mask_background = tuple([int(x) for x in background.split()])
+                plot.mask_background = tuple(
+                    [int(x) for x in background.split()])
 
         # Set universe level
         level = elem.find("level")
@@ -1141,6 +1175,7 @@ class ProjectionPlot(PlotBase):
 
         return plot
 
+
 class Plots(cv.CheckedList):
     """Collection of Plots used for an OpenMC simulation.
 
@@ -1212,7 +1247,6 @@ class Plots(cv.CheckedList):
         for plot in self:
             plot.colorize(geometry, seed)
 
-
     def highlight_domains(self, geometry, domains, seed=1,
                           alpha=0.5, background='gray'):
         """Use alpha compositing to highlight one or more domains in the plot.
@@ -1264,7 +1298,8 @@ class Plots(cv.CheckedList):
 
         # Clean the indentation in the file to be user-readable
         clean_indentation(self._plots_file)
-        reorder_attributes(self._plots_file)  # TODO: Remove when support is Python 3.8+
+        # TODO: Remove when support is Python 3.8+
+        reorder_attributes(self._plots_file)
 
         return self._plots_file
 

From 69f1ef43f99df332751cbb5e8a53b1f7b731318f Mon Sep 17 00:00:00 2001
From: April Novak <novak@berkeley.edu>
Date: Fri, 7 Apr 2023 10:28:04 +0200
Subject: [PATCH 1739/2654] Fix documentation typo in Cylinder.from_points.
 Closes #2459

---
 openmc/surface.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/surface.py b/openmc/surface.py
index b3bcebb11..ad27ed9f6 100644
--- a/openmc/surface.py
+++ b/openmc/surface.py
@@ -1241,7 +1241,7 @@ class Cylinder(QuadricMixin, Surface):
         Parameters
         ----------
         p1, p2 : 3-tuples
-            Points that pass through the plane, p1 will be used as (x0, y0, z0)
+            Points that pass through the cylinder axis.
         r : float, optional
             Radius of the cylinder in [cm]. Defaults to 1.
         kwargs : dict

From b96914cb29684f997aef621d42d5b460adca36be Mon Sep 17 00:00:00 2001
From: Christina Cai <chrsitinacai48933@gmail.com>
Date: Fri, 7 Apr 2023 15:32:02 -0400
Subject: [PATCH 1740/2654] added return types

---
 openmc/weight_windows.py | 36 ++++++++++++++++++++----------------
 1 file changed, 20 insertions(+), 16 deletions(-)

diff --git a/openmc/weight_windows.py b/openmc/weight_windows.py
index cf5a62cc1..6e718b858 100644
--- a/openmc/weight_windows.py
+++ b/openmc/weight_windows.py
@@ -1,3 +1,5 @@
+from __future__ import annotations
+
 from collections.abc import Iterable
 from numbers import Real, Integral
 
@@ -11,6 +13,8 @@ import openmc.checkvalue as cv
 from ._xml import get_text
 from .mixin import IDManagerMixin
 
+from typing import Iterable
+
 
 class WeightWindows(IDManagerMixin):
     """Mesh-based weight windows
@@ -146,7 +150,7 @@ class WeightWindows(IDManagerMixin):
         self.max_split = max_split
         self.weight_cutoff = weight_cutoff
 
-    def __repr__(self):
+    def __repr__(self) -> str:
         string = type(self).__name__ + '\n'
         string += '{: <16}=\t{}\n'.format('\tID', self._id)
         string += '{: <16}=\t{}\n'.format('\tMesh:', self.mesh)
@@ -159,7 +163,7 @@ class WeightWindows(IDManagerMixin):
         string += '{: <16}=\t{}\n'.format('\tWeight Cutoff', self._weight_cutoff)
         return string
 
-    def __eq__(self, other):
+    def __eq__(self, other) -> bool:
         # ensure that `other` is a WeightWindows object
         if not isinstance(other, WeightWindows):
             return False
@@ -189,7 +193,7 @@ class WeightWindows(IDManagerMixin):
         return True
 
     @property
-    def mesh(self):
+    def mesh(self) -> MeshBase:
         return self._mesh
 
     @mesh.setter
@@ -198,7 +202,7 @@ class WeightWindows(IDManagerMixin):
         self._mesh = mesh
 
     @property
-    def particle_type(self):
+    def particle_type(self) -> str:
         return self._particle_type
 
     @particle_type.setter
@@ -207,7 +211,7 @@ class WeightWindows(IDManagerMixin):
         self._particle_type = pt
 
     @property
-    def energy_bounds(self):
+    def energy_bounds(self) -> Iterable[Real]:
         return self._energy_bounds
 
     @energy_bounds.setter
@@ -216,13 +220,13 @@ class WeightWindows(IDManagerMixin):
         self._energy_bounds = np.asarray(bounds)
 
     @property
-    def num_energy_bins(self):
+    def num_energy_bins(self) -> int:
         if self.energy_bounds is None:
             raise ValueError('Energy bounds are not set')
         return self.energy_bounds.size - 1
 
     @property
-    def lower_ww_bounds(self):
+    def lower_ww_bounds(self) -> Iterable[Real]:
         return self._lower_ww_bounds
 
     @lower_ww_bounds.setter
@@ -241,7 +245,7 @@ class WeightWindows(IDManagerMixin):
         self._lower_ww_bounds = bounds
 
     @property
-    def upper_ww_bounds(self):
+    def upper_ww_bounds(self) -> Iterable[Real]:
         return self._upper_ww_bounds
 
     @upper_ww_bounds.setter
@@ -260,7 +264,7 @@ class WeightWindows(IDManagerMixin):
         self._upper_ww_bounds = bounds
 
     @property
-    def survival_ratio(self):
+    def survival_ratio(self) -> float:
         return self._survival_ratio
 
     @survival_ratio.setter
@@ -270,7 +274,7 @@ class WeightWindows(IDManagerMixin):
         self._survival_ratio = val
 
     @property
-    def max_lower_bound_ratio(self):
+    def max_lower_bound_ratio(self) -> float:
         return self._max_lower_bound_ratio
 
     @max_lower_bound_ratio.setter
@@ -280,7 +284,7 @@ class WeightWindows(IDManagerMixin):
         self._max_lower_bound_ratio = val
 
     @property
-    def max_split(self):
+    def max_split(self) -> int:
         return self._max_split
 
     @max_split.setter
@@ -289,7 +293,7 @@ class WeightWindows(IDManagerMixin):
         self._max_split = val
 
     @property
-    def weight_cutoff(self):
+    def weight_cutoff(self) -> float:
         return self._weight_cutoff
 
     @weight_cutoff.setter
@@ -298,7 +302,7 @@ class WeightWindows(IDManagerMixin):
         cv.check_greater_than('Weight cutoff', cutoff, 0.0, True)
         self._weight_cutoff = cutoff
 
-    def to_xml_element(self):
+    def to_xml_element(self) -> ET.Element:
         """Return an XML representation of the weight window settings
 
         Returns
@@ -341,7 +345,7 @@ class WeightWindows(IDManagerMixin):
         return element
 
     @classmethod
-    def from_xml_element(cls, elem, root):
+    def from_xml_element(cls, elem, root) -> WeightWindows:
         """Generate weight window settings from an XML element
 
         Parameters
@@ -396,7 +400,7 @@ class WeightWindows(IDManagerMixin):
         )
 
     @classmethod
-    def from_hdf5(cls, group, meshes):
+    def from_hdf5(cls, group, meshes) -> WeightWindows:
         """Create weight windows from HDF5 group
 
         Parameters
@@ -441,7 +445,7 @@ class WeightWindows(IDManagerMixin):
         )
 
 
-def wwinp_to_wws(path):
+def wwinp_to_wws(path) -> WeightWindows:
     """Create WeightWindows instances from a wwinp file
 
     .. versionadded:: 0.13.1

From 6d0e009acf0c3b73c4585f1aeffd4a16e81faabb Mon Sep 17 00:00:00 2001
From: christinacai123 <63215816+christinacai123@users.noreply.github.com>
Date: Mon, 10 Apr 2023 12:55:54 -0400
Subject: [PATCH 1741/2654] Apply suggestions from code review

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/weight_windows.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/weight_windows.py b/openmc/weight_windows.py
index 6e718b858..64d2c5100 100644
--- a/openmc/weight_windows.py
+++ b/openmc/weight_windows.py
@@ -1,7 +1,7 @@
 from __future__ import annotations
-
 from collections.abc import Iterable
 from numbers import Real, Integral
+from typing import Iterable, List
 
 from xml.etree import ElementTree as ET
 import numpy as np

From 4cc2c99f06faa1faf26ea93b6e034ac7340f8cf7 Mon Sep 17 00:00:00 2001
From: christinacai123 <63215816+christinacai123@users.noreply.github.com>
Date: Mon, 10 Apr 2023 12:56:51 -0400
Subject: [PATCH 1742/2654] Apply suggestions from code review

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/weight_windows.py | 8 +++-----
 1 file changed, 3 insertions(+), 5 deletions(-)

diff --git a/openmc/weight_windows.py b/openmc/weight_windows.py
index 64d2c5100..65b9b7bb0 100644
--- a/openmc/weight_windows.py
+++ b/openmc/weight_windows.py
@@ -13,8 +13,6 @@ import openmc.checkvalue as cv
 from ._xml import get_text
 from .mixin import IDManagerMixin
 
-from typing import Iterable
-
 
 class WeightWindows(IDManagerMixin):
     """Mesh-based weight windows
@@ -226,7 +224,7 @@ class WeightWindows(IDManagerMixin):
         return self.energy_bounds.size - 1
 
     @property
-    def lower_ww_bounds(self) -> Iterable[Real]:
+    def lower_ww_bounds(self) -> np.ndarray:
         return self._lower_ww_bounds
 
     @lower_ww_bounds.setter
@@ -245,7 +243,7 @@ class WeightWindows(IDManagerMixin):
         self._lower_ww_bounds = bounds
 
     @property
-    def upper_ww_bounds(self) -> Iterable[Real]:
+    def upper_ww_bounds(self) -> np.ndarray:
         return self._upper_ww_bounds
 
     @upper_ww_bounds.setter
@@ -445,7 +443,7 @@ class WeightWindows(IDManagerMixin):
         )
 
 
-def wwinp_to_wws(path) -> WeightWindows:
+def wwinp_to_wws(path) -> List[WeightWindows]:
     """Create WeightWindows instances from a wwinp file
 
     .. versionadded:: 0.13.1

From eef21b65cacb5f1edb3af761c8336c4508f75a34 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Tue, 11 Apr 2023 17:59:43 +0100
Subject: [PATCH 1743/2654] moved voxel plot to api accessible function

---
 openmc/plots.py                | 110 ++++++++++++++++++++++++++++++++-
 scripts/openmc-voxel-to-vtk    |  62 ++-----------------
 tests/unit_tests/test_plots.py |  37 ++++++++++-
 3 files changed, 146 insertions(+), 63 deletions(-)

diff --git a/openmc/plots.py b/openmc/plots.py
index c3cd88da1..573bc80eb 100644
--- a/openmc/plots.py
+++ b/openmc/plots.py
@@ -1,15 +1,16 @@
 from collections.abc import Iterable, Mapping
-from numbers import Real, Integral
+from numbers import Integral, Real
 from pathlib import Path
 from xml.etree import ElementTree as ET
 
+import h5py
 import numpy as np
 
 import openmc
 import openmc.checkvalue as cv
-from ._xml import clean_indentation, reorder_attributes, get_elem_tuple
-from .mixin import IDManagerMixin
 
+from ._xml import clean_indentation, get_elem_tuple, reorder_attributes
+from .mixin import IDManagerMixin
 
 _BASES = ['xy', 'xz', 'yz']
 
@@ -178,6 +179,78 @@ def _get_plot_image(plot, cwd):
     return Image(str(png_file))
 
 
+def _voxel_to_vtk(voxel_file: str, output: str = 'plot.vti'):
+    """Converts a voxel HDF5 file to a VTK file')
+
+    Parameters
+    ----------
+    voxel_file : str
+        filename of the input h5 to convert
+    output : str
+        filename of the output vti file produced
+
+    Returns
+    -------
+    str
+        Filename of the vti file produced
+    """
+
+    # imported vkt only if used as vtk is an option dependency
+    import vtk
+
+    _min_version = (2, 0)
+
+    # Read data from voxel file
+    fh = h5py.File(voxel_file, "r")
+
+    # check version
+    version = tuple(fh.attrs["version"])
+    if version < _min_version:
+        old_version = ".".join(map(str, version))
+        min_version = ".".join(map(str, _min_version))
+        err_msg = (
+            f"This voxel file's version is {old_version}. This function only "
+            f" supports voxel files with version {min_version} or higher. "
+            "Please generate a new voxel file using a newer version of OpenMC."
+        )
+        raise ValueError(err_msg)
+
+    dimension = fh.attrs["num_voxels"]
+    width = fh.attrs["voxel_width"]
+    lower_left = fh.attrs["lower_left"]
+
+    nx, ny, nz = dimension
+
+    grid = vtk.vtkImageData()
+    grid.SetDimensions(nx + 1, ny + 1, nz + 1)
+    grid.SetOrigin(*lower_left)
+    grid.SetSpacing(*width)
+
+    # transpose data from OpenMC ordering (zyx) to VTK ordering (xyz)
+    # and flatten to 1-D array
+    print("Reading and translating data...")
+    h5data = fh["data"][...]
+
+    data = vtk.vtkIntArray()
+    data.SetName("id")
+    # set the array using the h5data array
+    data.SetArray(h5data, h5data.size, True)
+    # add data to image grid
+    grid.GetCellData().AddArray(data)
+
+    writer = vtk.vtkXMLImageDataWriter()
+    if vtk.vtkVersion.GetVTKMajorVersion() > 5:
+        writer.SetInputData(grid)
+    else:
+        writer.SetInput(grid)
+    if not output.endswith(".vti"):
+        output += ".vti"
+    writer.SetFileName(output)
+    writer.Write()
+
+    return output
+
+
 class PlotBase(IDManagerMixin):
     """
     Parameters
@@ -831,6 +904,37 @@ class Plot(PlotBase):
         # Return produced image
         return _get_plot_image(self, cwd)
 
+    def to_voxel_file(self, output='plot.vti', openmc_exec='openmc', cwd='.'):
+        """Render plot as an voxel image
+
+        This method runs OpenMC in plotting mode to produce a .vti file.
+
+        Parameters
+        ----------
+        output : str
+            filename of the output vti file produced
+        openmc_exec : str
+            Path to OpenMC executable
+        cwd : str, optional
+            Path to working directory to run in
+
+        Returns
+        -------
+        str
+            Filename of the vti file produced
+
+        """
+        # Create plots.xml
+        Plots([self]).export_to_xml(cwd)
+
+        # Run OpenMC in geometry plotting mode and produces a h5 file
+        openmc.plot_geometry(False, openmc_exec, cwd)
+
+        stem = self.filename if self.filename is not None else f'plot_{self.id}'
+        h5_voxel_file = Path(cwd) / f'{stem}.h5'
+
+        return _voxel_to_vtk(h5_voxel_file, output)
+
 
 class ProjectionPlot(PlotBase):
     """Definition of a camera's view of OpenMC geometry
diff --git a/scripts/openmc-voxel-to-vtk b/scripts/openmc-voxel-to-vtk
index 01b4808d2..16789cb04 100755
--- a/scripts/openmc-voxel-to-vtk
+++ b/scripts/openmc-voxel-to-vtk
@@ -2,63 +2,7 @@
 
 from argparse import ArgumentParser
 
-import h5py
-import vtk
-
-_min_version = (2, 0)
-
-
-def voxel_to_vtk(voxel_file: str, output: str):
-
-    # Read data from voxel file
-    fh = h5py.File(voxel_file, "r")
-
-    # check version
-    version = tuple(fh.attrs["version"])
-    if version < _min_version:
-        old_version = ".".join(map(str, version))
-        min_version = ".".join(map(str, _min_version))
-        err_msg = (
-            "This voxel file's version is {}. This script "
-            "only supports voxel files with version {} or "
-            "higher. Please generate a new voxel file using "
-            "a newer version of OpenMC.".format(old_version, min_version)
-        )
-        raise ValueError(err_msg)
-
-    dimension = fh.attrs["num_voxels"]
-    width = fh.attrs["voxel_width"]
-    lower_left = fh.attrs["lower_left"]
-
-    nx, ny, nz = dimension
-
-    grid = vtk.vtkImageData()
-    grid.SetDimensions(nx + 1, ny + 1, nz + 1)
-    grid.SetOrigin(*lower_left)
-    grid.SetSpacing(*width)
-
-    # transpose data from OpenMC ordering (zyx) to VTK ordering (xyz)
-    # and flatten to 1-D array
-    print("Reading and translating data...")
-    h5data = fh["data"][...]
-
-    data = vtk.vtkIntArray()
-    data.SetName("id")
-    # set the array using the h5data array
-    data.SetArray(h5data, h5data.size, True)
-    # add data to image grid
-    grid.GetCellData().AddArray(data)
-
-    writer = vtk.vtkXMLImageDataWriter()
-    if vtk.vtkVersion.GetVTKMajorVersion() > 5:
-        writer.SetInputData(grid)
-    else:
-        writer.SetInput(grid)
-    if not output.endswith(".vti"):
-        output += ".vti"
-    writer.SetFileName(output)
-    print("Writing VTK file {}...".format(output))
-    writer.Write()
+import openmc
 
 
 if __name__ == "__main__":
@@ -73,4 +17,6 @@ if __name__ == "__main__":
         help="Path to output VTK file.",
     )
     args = parser.parse_args()
-    voxel_to_vtk(args.voxel_file, args.output)
+    print("Reading and translating data...")
+    openmc.plots._voxel_to_vtk(args.voxel_file, args.output)
+    print(f"Written VTK file {args.output}...")
diff --git a/tests/unit_tests/test_plots.py b/tests/unit_tests/test_plots.py
index 183341c26..b556be361 100644
--- a/tests/unit_tests/test_plots.py
+++ b/tests/unit_tests/test_plots.py
@@ -1,3 +1,5 @@
+from pathlib import Path
+
 import openmc
 import openmc.examples
 import pytest
@@ -37,6 +39,7 @@ def myplot():
     }
     return plot
 
+
 @pytest.fixture(scope='module')
 def myprojectionplot():
     plot = openmc.ProjectionPlot(name='myprojectionplot')
@@ -59,26 +62,56 @@ def myprojectionplot():
 
     plot.overlap_color = (255, 211, 0)
     plot.overlap_color = 'yellow'
-    
+
     plot.wireframe_thickness = 2
 
     plot.level = 1
     return plot
 
+
+def test_voxel_plot():
+    surf1 = openmc.Sphere(r=500, boundary_type='vacuum')
+    cell1 = openmc.Cell(region=-surf1)
+    geometry = openmc.Geometry([cell1])
+    geometry.export_to_xml()
+    materials = openmc.Materials()
+    materials.export_to_xml()
+    vox_plot = openmc.Plot()
+    vox_plot.type = 'voxel'
+    vox_plot.id = 12
+    vox_plot.width = (1500., 1500., 1500.)
+    vox_plot.pixels = (200, 200, 200)
+    vox_plot.color_by = 'cell'
+    vox_plot.to_voxel_file(output='test_voxel_plot.vti')
+
+    assert Path('plot_12.h5').is_file()
+    assert Path('test_voxel_plot.vti').is_file()
+
+    vox_plot.filename = 'h5_voxel_plot'
+    vox_plot.to_voxel_file(output='another_test_voxel_plot.vti')
+
+    assert Path('h5_voxel_plot.h5').is_file()
+    assert Path('another_test_voxel_plot.vti').is_file()
+
+
 def test_attributes(myplot):
     assert myplot.name == 'myplot'
 
+
 def test_attributes_proj(myprojectionplot):
     assert myprojectionplot.name == 'myprojectionplot'
 
+
 def test_repr(myplot):
     r = repr(myplot)
     assert isinstance(r, str)
 
+
 def test_repr_proj(myprojectionplot):
     r = repr(myprojectionplot)
     assert isinstance(r, str)
 
+
 def test_from_geometry():
     width = 25.
     s = openmc.Sphere(r=width/2, boundary_type='vacuum')
@@ -154,7 +187,7 @@ def test_plots(run_in_tmpdir):
     plots.export_to_xml()
 
     # from_xml
-    new_plots = openmc.Plots.from_xml()
+    openmc.Plots.from_xml()
     assert len(plots)
     assert plots[0].origin == p1.origin
     assert plots[0].colors == p1.colors

From 44a57b9a6fcc775b922fc7a4e930ca182202a565 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Sat, 8 Apr 2023 14:34:02 +0200
Subject: [PATCH 1744/2654] Improve error message about missing settings.xml

---
 src/settings.cpp | 15 +++++----------
 1 file changed, 5 insertions(+), 10 deletions(-)

diff --git a/src/settings.cpp b/src/settings.cpp
index 2f8fbd1d0..6fa01708e 100644
--- a/src/settings.cpp
+++ b/src/settings.cpp
@@ -223,16 +223,11 @@ void read_settings_xml()
   std::string filename = settings::path_input + "settings.xml";
   if (!file_exists(filename)) {
     if (run_mode != RunMode::PLOTTING) {
-      fatal_error(
-        fmt::format("Settings XML file '{}' does not exist! In order "
-                    "to run OpenMC, you first need a set of input files; at a "
-                    "minimum, this "
-                    "includes settings.xml, geometry.xml, and materials.xml "
-                    "or a single XML file containing all of these files. "
-                    "Please consult "
-                    "the user's guide at https://docs.openmc.org for further "
-                    "information.",
-          filename));
+      fatal_error("Could not find any XML input files! In order to run OpenMC, "
+                  "you first need a set of input files; at a minimum, this "
+                  "includes settings.xml, geometry.xml, and materials.xml or a "
+                  "single model XML file. Please consult the user's guide at "
+                  "https://docs.openmc.org for further information.");
     } else {
       // The settings.xml file is optional if we just want to make a plot.
       return;

From d1036561a9a0ba510a50e1055a72f92bb91e7b63 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Sat, 8 Apr 2023 14:45:48 +0200
Subject: [PATCH 1745/2654] Make clear that passing model XML is valid on
 command line

---
 man/man1/openmc.1 | 8 +++++++-
 src/output.cpp    | 2 +-
 2 files changed, 8 insertions(+), 2 deletions(-)

diff --git a/man/man1/openmc.1 b/man/man1/openmc.1
index 4aa288a8c..331e42ea0 100644
--- a/man/man1/openmc.1
+++ b/man/man1/openmc.1
@@ -8,7 +8,10 @@ sections are available.
 .SH SYNOPSIS
 \fBopenmc\fR [\fIoptions\fR] [\fIpath\fR]
 .PP
-It is assumed that if no
+.I path
+specifies either the path to a single model XML file containing the full model
+or a directory containing either a model.xml file or a set of individual XML
+files (settings.xml, materials.xml, geometry.xml). It is assumed that if no
 .I path
 is specified, the XML input files are present in the current directory.
 .SH OPTIONS
@@ -46,6 +49,9 @@ The behavior of
 .B openmc
 is affected by the following environment variables.
 .TP
+.B OPENMC_CHAIN_FILE
+Indicates the path to a depletion chain XML file.
+.TP
 .B OPENMC_CROSS_SECTIONS
 Indicates the default path to the cross_sections.xml summary file that is used
 to locate HDF5 format cross section libraries if the user has not specified the
diff --git a/src/output.cpp b/src/output.cpp
index 666ae15b3..2b0a4024c 100644
--- a/src/output.cpp
+++ b/src/output.cpp
@@ -268,7 +268,7 @@ void print_usage()
 {
   if (mpi::master) {
     fmt::print(
-      "Usage: openmc [options] [directory]\n\n"
+      "Usage: openmc [options] [path]\n\n"
       "Options:\n"
       "  -c, --volume           Run in stochastic volume calculation mode\n"
       "  -g, --geometry-debug   Run with geometry debugging on\n"

From 35ef5b06f847d43dc0cbebb62c7f42927b2b1fa6 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Sat, 8 Apr 2023 14:58:00 +0200
Subject: [PATCH 1746/2654] Allow plots.xml to be read if model.xml doesn't
 contain plots

---
 src/initialize.cpp | 12 ++++++++++--
 1 file changed, 10 insertions(+), 2 deletions(-)

diff --git a/src/initialize.cpp b/src/initialize.cpp
index 6383af64e..9c0a05d37 100644
--- a/src/initialize.cpp
+++ b/src/initialize.cpp
@@ -358,7 +358,7 @@ bool read_model_xml()
   for (const auto& input : other_inputs) {
     if (file_exists(settings::path_input + input)) {
       warning((fmt::format("Other XML file input(s) are present. These files "
-                           "will be ignored in favor of the {} file.",
+                           "may be ignored in favor of the {} file.",
         model_filename)));
       break;
     }
@@ -392,8 +392,16 @@ bool read_model_xml()
   // Initialize distribcell_filters
   prepare_distribcell();
 
-  if (check_for_node(root, "plots"))
+  if (check_for_node(root, "plots")) {
     read_plots_xml(root.child("plots"));
+  } else {
+    // When no <plots> element is present in the model.xml file, check for a
+    // regular plots.xml file
+    std::string filename = settings::path_input + "plots.xml";
+    if (file_exists(filename)) {
+      read_plots_xml();
+    }
+  }
 
   return true;
 }

From f5ad0466cd3906012f57fd979d5a5d73bf99a0a7 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Sat, 8 Apr 2023 15:34:39 +0200
Subject: [PATCH 1747/2654] Allow Model.run to pass kwargs to export methods

---
 openmc/model/model.py | 39 ++++++++++++++++++++++-----------------
 1 file changed, 22 insertions(+), 17 deletions(-)

diff --git a/openmc/model/model.py b/openmc/model/model.py
index 4202cf60b..65aad6de9 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -597,11 +597,13 @@ class Model:
     def run(self, particles=None, threads=None, geometry_debug=False,
             restart_file=None, tracks=False, output=True, cwd='.',
             openmc_exec='openmc', mpi_args=None, event_based=None,
-            export_model_xml=True):
-        """Runs OpenMC. If the C API has been initialized, then the C API is
-        used, otherwise, this method creates the XML files and runs OpenMC via
-        a system call. In both cases this method returns the path to the last
-        statepoint file generated.
+            export_model_xml=True, **export_kwargs):
+        """Run OpenMC
+
+        If the C API has been initialized, then the C API is used, otherwise,
+        this method creates the XML files and runs OpenMC via a system call. In
+        both cases this method returns the path to the last statepoint file
+        generated.
 
         .. versionchanged:: 0.12
             Instead of returning the final k-effective value, this function now
@@ -630,27 +632,30 @@ class Model:
         output : bool, optional
             Capture OpenMC output from standard out
         cwd : str, optional
-            Path to working directory to run in. Defaults to the current
-            working directory.
+            Path to working directory to run in. Defaults to the current working
+            directory.
         openmc_exec : str, optional
             Path to OpenMC executable. Defaults to 'openmc'.
         mpi_args : list of str, optional
-            MPI execute command and any additional MPI arguments to pass,
-            e.g. ['mpiexec', '-n', '8'].
+            MPI execute command and any additional MPI arguments to pass, e.g.
+            ['mpiexec', '-n', '8'].
         event_based : None or bool, optional
-            Turns on event-based parallelism if True. If None, the value in
-            the Settings will be used.
+            Turns on event-based parallelism if True. If None, the value in the
+            Settings will be used.
         export_model_xml : bool, optional
-            Exports a single model.xml file rather than separate files.
-            Defaults to True.
+            Exports a single model.xml file rather than separate files. Defaults
+            to True.
 
             .. versionadded:: 0.13.3
+        **export_kwargs
+            Keyword arguments passed to either :meth:`Model.export_to_model_xml`
+            or :meth:`Model.export_to_xml`.
 
         Returns
         -------
         Path
-            Path to the last statepoint written by this run
-            (None if no statepoint was written)
+            Path to the last statepoint written by this run (None if no
+            statepoint was written)
 
         """
 
@@ -695,9 +700,9 @@ class Model:
             else:
                 # Then run via the command line
                 if export_model_xml:
-                    self.export_to_model_xml()
+                    self.export_to_model_xml(**export_kwargs)
                 else:
-                    self.export_to_xml()
+                    self.export_to_xml(**export_kwargs)
                 openmc.run(particles, threads, geometry_debug, restart_file,
                            tracks, output, Path('.'), openmc_exec, mpi_args,
                            event_based)

From c907c8567590e5e38ca6a4e07c7f176c6a0d0fa9 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Sat, 8 Apr 2023 14:38:10 +0200
Subject: [PATCH 1748/2654] Improve error message regarding particle filter

---
 src/tallies/tally.cpp | 9 +++++----
 1 file changed, 5 insertions(+), 4 deletions(-)

diff --git a/src/tallies/tally.cpp b/src/tallies/tally.cpp
index 94bfc6cd4..8056b2574 100644
--- a/src/tallies/tally.cpp
+++ b/src/tallies/tally.cpp
@@ -191,9 +191,9 @@ Tally::Tally(pugi::xml_node node)
         case SCORE_DELAYED_NU_FISSION:
         case SCORE_PROMPT_NU_FISSION:
         case SCORE_DECAY_RATE:
-          warning("Particle filter is not used with photon transport"
-                  " on and " +
-                  reaction_name(score) + " score.");
+          warning("You are tallying the '" + reaction_name(score) +
+                  "' score and haven't used a particle filter. This score will "
+                  "include contributions from all particles.");
           break;
         }
       }
@@ -1283,7 +1283,8 @@ extern "C" int openmc_remove_tally(int32_t index)
   if (index < 0 || index > model::tallies.size()) {
     return OPENMC_E_OUT_OF_BOUNDS;
   }
-  // grab tally so it's ID can be obtained to remove the (ID,index) pair from tally_map
+  // grab tally so it's ID can be obtained to remove the (ID,index) pair from
+  // tally_map
   auto& tally = model::tallies[index];
   // delete the tally via iterator pointing to correct position
   // this calls the Tally destructor, removing the tally from the map as well

From a5d724aa2ea7b6208583fb6e698e0665a0bf4aa2 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Sat, 8 Apr 2023 15:06:21 +0200
Subject: [PATCH 1749/2654] Check whether points in Plane.from_points lie along
 a line.

---
 openmc/surface.py | 15 ++++++++++++---
 1 file changed, 12 insertions(+), 3 deletions(-)

diff --git a/openmc/surface.py b/openmc/surface.py
index b8ea5479d..984bc7a5c 100644
--- a/openmc/surface.py
+++ b/openmc/surface.py
@@ -737,16 +737,25 @@ class Plane(PlaneMixin, Surface):
         Plane
             Plane that passes through the three points
 
+        Raises
+        ------
+        ValueError
+            If all three points lie along a line
+
         """
         # Convert to numpy arrays
-        p1 = np.asarray(p1)
-        p2 = np.asarray(p2)
-        p3 = np.asarray(p3)
+        p1 = np.asarray(p1, dtype=float)
+        p2 = np.asarray(p2, dtype=float)
+        p3 = np.asarray(p3, dtype=float)
 
         # Find normal vector to plane by taking cross product of two vectors
         # connecting p1->p2 and p1->p3
         n = np.cross(p2 - p1, p3 - p1)
 
+        # Check for points along a line
+        if np.allclose(n, 0.):
+            raise ValueError("All three points appear to lie along a line.")
+
         # The equation of the plane will by n·(<x,y,z> - p1) = 0. Determine
         # coefficients a, b, c, and d based on that
         a, b, c = n

From 5a0b679df8409a759d0990d5d6534d4ad0b0c0bb Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Sat, 8 Apr 2023 15:11:25 +0200
Subject: [PATCH 1750/2654] Don't use a fixed default seed for pack_spheres

---
 openmc/model/triso.py | 16 ++++++++--------
 1 file changed, 8 insertions(+), 8 deletions(-)

diff --git a/openmc/model/triso.py b/openmc/model/triso.py
index f486482aa..b41ae7fa6 100644
--- a/openmc/model/triso.py
+++ b/openmc/model/triso.py
@@ -1206,7 +1206,7 @@ def _close_random_pack(domain, spheres, contraction_rate):
 
 
 def pack_spheres(radius, region, pf=None, num_spheres=None, initial_pf=0.3,
-                 contraction_rate=1.e-3, seed=1):
+                 contraction_rate=1.e-3, seed=None):
     """Generate a random, non-overlapping configuration of spheres within a
     container.
 
@@ -1235,7 +1235,7 @@ def pack_spheres(radius, region, pf=None, num_spheres=None, initial_pf=0.3,
         reached using a smaller contraction rate, but the algorithm will take
         longer to converge.
     seed : int, optional
-        RNG seed.
+        Pseudorandom number generator seed passed to :func:`random.seed`
 
     Returns
     ------
@@ -1278,7 +1278,8 @@ def pack_spheres(radius, region, pf=None, num_spheres=None, initial_pf=0.3,
 
     """
     # Seed RNG
-    random.seed(seed)
+    if seed is not None:
+        random.seed(seed)
 
     # Create container with the correct shape based on the supplied region
     domain = None
@@ -1310,14 +1311,13 @@ def pack_spheres(radius, region, pf=None, num_spheres=None, initial_pf=0.3,
 
     # Check packing fraction for close random packing
     if pf > MAX_PF_CRP:
-        raise ValueError('Packing fraction {0} is greater than the limit for '
-                         'close random packing, {1}'.format(pf, MAX_PF_CRP))
+        raise ValueError(f'Packing fraction {pf} is greater than the limit for '
+                         f'close random packing, {MAX_PF_CRP}')
 
     # Check packing fraction for random sequential packing
     if initial_pf > MAX_PF_RSP:
-        raise ValueError('Initial packing fraction {0} is greater than the '
-                         'limit for random sequential packing, '
-                         '{1}'.format(initial_pf, MAX_PF_RSP))
+        raise ValueError(f'Initial packing fraction {initial_pf} is greater than'
+                         f'the limit for random sequential packing, {MAX_PF_RSP}')
 
     # Calculate the sphere radius used in the initial random sequential
     # packing from the initial packing fraction

From 39bc94a1a1f0182a6e5fdefa8f91d98454b4af86 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Sat, 8 Apr 2023 15:21:59 +0200
Subject: [PATCH 1751/2654] Allow mgxs.EnergyGroups() to accept group structure
 name

---
 openmc/mgxs/groups.py | 35 ++++++++++++++++++++++-------------
 1 file changed, 22 insertions(+), 13 deletions(-)

diff --git a/openmc/mgxs/groups.py b/openmc/mgxs/groups.py
index d49f2d651..eaef519da 100644
--- a/openmc/mgxs/groups.py
+++ b/openmc/mgxs/groups.py
@@ -5,30 +5,36 @@ from numbers import Real
 import numpy as np
 
 import openmc.checkvalue as cv
+import openmc.mgxs
 
 
 class EnergyGroups:
-    """An energy groups structure used for multi-group cross-sections.
+    """An energy group structure used for multigroup cross-sections.
 
     Parameters
     ----------
-    group_edges : Iterable of Real
-        The energy group boundaries [eV]
+    group_edges : Iterable of float or str
+        The energy group boundaries in [eV] or the name of the group structure
+        (Must be a valid key in the openmc.mgxs.GROUP_STRUCTURES dictionary).
+
+        .. versionchanged:: 0.13.4
+            Changed to allow a string specifying the group structure name.
 
     Attributes
     ----------
-    group_edges : Iterable of Real
-        The energy group boundaries [eV]
+    group_edges : np.ndarray
+        The energy group boundaries in [eV]
     num_groups : int
         The number of energy groups
 
     """
 
-    def __init__(self, group_edges=None):
-        self._group_edges = None
+    def __init__(self, group_edges):
+        if isinstance(group_edges, str):
+            self._name = group_edges.upper()
+            group_edges = openmc.mgxs.GROUP_STRUCTURES[self._name]
 
-        if group_edges is not None:
-            self.group_edges = group_edges
+        self.group_edges = group_edges
 
     def __deepcopy__(self, memo):
         existing = memo.get(id(self))
@@ -59,6 +65,12 @@ class EnergyGroups:
     def __hash__(self):
         return hash(tuple(self.group_edges))
 
+    def __repr__(self):
+        if hasattr(self, '_name'):
+            return f"<EnergyGroups: {self.num_groups} groups ({self._name})>"
+        else:
+            return f"<EnergyGroups: {self.num_groups} groups>"
+
     @property
     def group_edges(self):
         return self._group_edges
@@ -226,10 +238,7 @@ class EnergyGroups:
         group_edges = np.sort(group_edges)
 
         # Create a new condensed EnergyGroups object
-        condensed_groups = EnergyGroups()
-        condensed_groups.group_edges = group_edges
-
-        return condensed_groups
+        return EnergyGroups(group_edges)
 
     def can_merge(self, other):
         """Determine if energy groups can be merged with another.

From a87b88a488dc35bd2190d7216c541c837ce34552 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Sat, 8 Apr 2023 15:37:16 +0200
Subject: [PATCH 1752/2654] Fix CellInstanceFilter docstring

---
 openmc/filter.py | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/openmc/filter.py b/openmc/filter.py
index cc7bdd931..5233908c8 100644
--- a/openmc/filter.py
+++ b/openmc/filter.py
@@ -4,6 +4,7 @@ from collections.abc import Iterable
 import hashlib
 from itertools import product
 from numbers import Real, Integral
+import warnings
 from xml.etree import ElementTree as ET
 
 import numpy as np
@@ -588,7 +589,7 @@ class CellInstanceFilter(Filter):
     bins : iterable of 2-tuples or numpy.ndarray
         The cell instances to tally, given as 2-tuples. For the first value in
         the tuple, either openmc.Cell objects or their integral ID numbers can
-        be used.
+        be used. The second value indicates the cell instance.
     filter_id : int
         Unique identifier for the filter
 

From 9ec43809db7bda25de6a64d948ceb0bd52386f5a Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Sat, 8 Apr 2023 19:00:25 +0200
Subject: [PATCH 1753/2654] Change DataLibrary to behave like list and add
 remove_by_material method

---
 openmc/data/library.py             | 46 +++++++++++++++++++++---------
 tests/unit_tests/test_data_misc.py |  9 ++++--
 2 files changed, 39 insertions(+), 16 deletions(-)

diff --git a/openmc/data/library.py b/openmc/data/library.py
index ad6c65fb6..fccaef393 100644
--- a/openmc/data/library.py
+++ b/openmc/data/library.py
@@ -5,24 +5,29 @@ import pathlib
 import h5py
 
 import openmc
-from openmc.mixin import EqualityMixin
 from openmc._xml import clean_indentation, reorder_attributes
 
 
-class DataLibrary(EqualityMixin):
+class DataLibrary(list):
     """Collection of cross section data libraries.
 
-    Attributes
-    ----------
-    libraries : list of dict
-        List in which each item is a dictionary summarizing cross section data
-        from a single file. The dictionary has keys 'path', 'type', and
-        'materials'.
+    This clas behaves like a list where each item is a dictionary summarizing
+    cross section data from a single file. The dictionary has keys 'path',
+    'type', and 'materials'.
+
+    .. versionchanged:: 0.13.4
+        This class now behaves like a list rather than requiring you to access
+        the list of libraries through a special attribute.
 
     """
 
     def __init__(self):
-        self.libraries = []
+        super().__init__()
+
+    @property
+    def libraries(self):
+        # For backwards compatibility
+        return self
 
     def get_by_material(self, name, data_type='neutron'):
         """Return the library dictionary containing a given material.
@@ -43,11 +48,26 @@ class DataLibrary(EqualityMixin):
             the dictionary has keys 'path', 'type', and 'materials'.
 
         """
-        for library in self.libraries:
+        for library in self:
             if name in library['materials'] and data_type in library['type']:
                 return library
         return None
 
+    def remove_by_material(self, name: str, data_type='neutron'):
+        """Remove the library dictionary containing a specific material
+
+        Parameters
+        ----------
+        name : str
+            Name of material, e.g. 'Am241'
+        data_type : str
+            Name of data type, e.g. 'neutron', 'photon', 'wmp', or 'thermal'
+
+        """
+        library = self.get_by_material(name, data_type)
+        if library is not None:
+            self.remove(library)
+
     def register_file(self, filename):
         """Register a file with the data library.
 
@@ -77,7 +97,7 @@ class DataLibrary(EqualityMixin):
                 .format(path.name, self.__class__.__name__))
 
         library = {'path': str(path), 'type': filetype, 'materials': materials}
-        self.libraries.append(library)
+        self.append(library)
 
     def export_to_xml(self, path='cross_sections.xml'):
         """Export cross section data library to an XML file.
@@ -92,7 +112,7 @@ class DataLibrary(EqualityMixin):
 
         # Determine common directory for library paths
         common_dir = os.path.dirname(os.path.commonprefix(
-            [lib['path'] for lib in self.libraries]))
+            [lib['path'] for lib in self]))
         if common_dir == '':
             common_dir = '.'
 
@@ -100,7 +120,7 @@ class DataLibrary(EqualityMixin):
             dir_element = ET.SubElement(root, "directory")
             dir_element.text = os.path.realpath(common_dir)
 
-        for library in self.libraries:
+        for library in self:
             if library['type'] == "depletion_chain":
                 lib_element = ET.SubElement(root, "depletion_chain")
             else:
diff --git a/tests/unit_tests/test_data_misc.py b/tests/unit_tests/test_data_misc.py
index f88be2602..226d848a5 100644
--- a/tests/unit_tests/test_data_misc.py
+++ b/tests/unit_tests/test_data_misc.py
@@ -11,7 +11,7 @@ import openmc.data
 
 def test_data_library(tmpdir):
     lib = openmc.data.DataLibrary.from_xml()
-    for f in lib.libraries:
+    for f in lib:
         assert sorted(f.keys()) == ['materials', 'path', 'type']
 
     f = lib.get_by_material('U235')
@@ -22,6 +22,9 @@ def test_data_library(tmpdir):
     assert f['type'] == 'thermal'
     assert 'c_H_in_H2O' in f['materials']
 
+    lib.remove_by_material('Pu239')
+    assert lib.get_by_material('Pu239') is None
+
     filename = str(tmpdir.join('test.xml'))
     lib.export_to_xml(filename)
     assert os.path.exists(filename)
@@ -29,9 +32,9 @@ def test_data_library(tmpdir):
     new_lib = openmc.data.DataLibrary()
     directory = os.path.dirname(os.environ['OPENMC_CROSS_SECTIONS'])
     new_lib.register_file(os.path.join(directory, 'H1.h5'))
-    assert new_lib.libraries[-1]['type'] == 'neutron'
+    assert new_lib[-1]['type'] == 'neutron'
     new_lib.register_file(os.path.join(directory, 'c_Zr_in_ZrH.h5'))
-    assert new_lib.libraries[-1]['type'] == 'thermal'
+    assert new_lib[-1]['type'] == 'thermal'
 
 
 def test_depletion_chain_data_library(run_in_tmpdir):

From 08df830700a180a4dbe71332373d134419502cab Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Sat, 8 Apr 2023 19:02:06 +0200
Subject: [PATCH 1754/2654] Use default filename in deplete.Results()

---
 openmc/deplete/results.py | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/openmc/deplete/results.py b/openmc/deplete/results.py
index c9dc19816..555a7ce37 100644
--- a/openmc/deplete/results.py
+++ b/openmc/deplete/results.py
@@ -54,11 +54,11 @@ class Results(list):
 
     Parameters
     ----------
-    filename : str
+    filename : str, optional
         Path to depletion result file
 
     """
-    def __init__(self, filename=None):
+    def __init__(self, filename='depletion_results.h5'):
         data = []
         if filename is not None:
             with h5py.File(str(filename), "r") as fh:

From ec20a0cbafae2474d2a83bec5f7595f784f90c9d Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Sat, 8 Apr 2023 19:11:04 +0200
Subject: [PATCH 1755/2654] Add missing openmc.lib functions to documentation

---
 docs/source/pythonapi/capi.rst | 8 ++++++++
 1 file changed, 8 insertions(+)

diff --git a/docs/source/pythonapi/capi.rst b/docs/source/pythonapi/capi.rst
index 882e3c71b..89fa167ff 100644
--- a/docs/source/pythonapi/capi.rst
+++ b/docs/source/pythonapi/capi.rst
@@ -13,20 +13,28 @@ Functions
    :template: myfunction.rst
 
    calculate_volumes
+   current_batch
    export_properties
    finalize
    find_cell
    find_material
+   global_bounding_box
+   global_tallies
    hard_reset
+   id_map
    import_properties
    init
+   is_statepoint_batch
    iter_batches
    keff
    load_nuclide
+   master
    next_batch
    num_realizations
    plot_geometry
+   property_map
    reset
+   reset_timers
    run
    run_in_memory
    sample_external_source

From 3125a28bad22f97f0287503fa69e7cd16f832f43 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Mon, 10 Apr 2023 06:26:28 -0500
Subject: [PATCH 1756/2654] Remove mention of mailing list in README.md

---
 README.md | 22 ++++++++++++----------
 1 file changed, 12 insertions(+), 10 deletions(-)

diff --git a/README.md b/README.md
index bd7a8479a..561bf4e1a 100644
--- a/README.md
+++ b/README.md
@@ -15,7 +15,8 @@ project started under the Computational Reactor Physics Group at MIT.
 Complete documentation on the usage of OpenMC is hosted on Read the Docs (both
 for the [latest release](https://docs.openmc.org/en/stable/) and
 [developmental](https://docs.openmc.org/en/latest/) version). If you are
-interested in the project, or would like to help and contribute, please get in touch on the OpenMC [discussion forum](https://openmc.discourse.group/).
+interested in the project, or would like to help and contribute, please get in
+touch on the OpenMC [discussion forum](https://openmc.discourse.group/).
 
 ## Installation
 
@@ -36,20 +37,21 @@ citing the following publication:
 ## Troubleshooting
 
 If you run into problems compiling, installing, or running OpenMC, first check
-the [Troubleshooting section](https://docs.openmc.org/en/stable/usersguide/troubleshoot.html) in
-the User's Guide. If you are not able to find a solution to your problem there,
+the [Troubleshooting
+section](https://docs.openmc.org/en/stable/usersguide/troubleshoot.html) in the
+User's Guide. If you are not able to find a solution to your problem there,
 please post to the [discussion forum](https://openmc.discourse.group/).
 
 ## Reporting Bugs
 
 OpenMC is hosted on GitHub and all bugs are reported and tracked through the
-[Issues](https://github.com/openmc-dev/openmc/issues) feature on GitHub. However,
-GitHub Issues should not be used for common troubleshooting purposes. If you are
-having trouble installing the code or getting your model to run properly, you
-should first send a message to the User's Group mailing list. If it turns out
-your issue really is a bug in the code, an issue will then be created on
-GitHub. If you want to request that a feature be added to the code, you may
-create an Issue on github.
+[Issues](https://github.com/openmc-dev/openmc/issues) feature on GitHub.
+However, GitHub Issues should not be used for common troubleshooting purposes.
+If you are having trouble installing the code or getting your model to run
+properly, you should first send a message to the [discussion
+forum](https://openmc.discourse.group/). If it turns out your issue really is a
+bug in the code, an issue will then be created on GitHub. If you want to request
+that a feature be added to the code, you may create an Issue on github.
 
 ## License
 

From f23620896d737d74030281d6a09efd3715cfe9fc Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 11 Apr 2023 13:32:42 -0500
Subject: [PATCH 1757/2654] Use Catch2_FOUND in CMakeLists.txt

---
 CMakeLists.txt | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 866050a98..ca0b885b2 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -292,7 +292,7 @@ endif()
 
 if(OPENMC_BUILD_TESTS)
   find_package_write_status(Catch2)
-  if (NOT Catch2)
+  if (NOT Catch2_FOUND)
     add_subdirectory(vendor/Catch2)
   endif()
 endif()

From a0d8d1961e8954f80e37cf90e5b9712fe01505e1 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Wed, 12 Apr 2023 12:42:56 +0100
Subject: [PATCH 1758/2654] running plot test in tmp dir

---
 openmc/plots.py                | 1 -
 tests/unit_tests/test_plots.py | 2 +-
 2 files changed, 1 insertion(+), 2 deletions(-)

diff --git a/openmc/plots.py b/openmc/plots.py
index 573bc80eb..6eedc9310 100644
--- a/openmc/plots.py
+++ b/openmc/plots.py
@@ -228,7 +228,6 @@ def _voxel_to_vtk(voxel_file: str, output: str = 'plot.vti'):
 
     # transpose data from OpenMC ordering (zyx) to VTK ordering (xyz)
     # and flatten to 1-D array
-    print("Reading and translating data...")
     h5data = fh["data"][...]
 
     data = vtk.vtkIntArray()
diff --git a/tests/unit_tests/test_plots.py b/tests/unit_tests/test_plots.py
index b556be361..15d158dd6 100644
--- a/tests/unit_tests/test_plots.py
+++ b/tests/unit_tests/test_plots.py
@@ -69,7 +69,7 @@ def myprojectionplot():
     return plot
 
 
-def test_voxel_plot():
+def test_voxel_plot(run_in_tmpdir):
     surf1 = openmc.Sphere(r=500, boundary_type='vacuum')
     cell1 = openmc.Cell(region=-surf1)
     geometry = openmc.Geometry([cell1])

From c1c6865026b687a2904e08eea38dc9329e8d40de Mon Sep 17 00:00:00 2001
From: Christina Cai <chrsitinacai48933@gmail.com>
Date: Wed, 12 Apr 2023 14:00:48 -0400
Subject: [PATCH 1759/2654] added type hinting for weight_windows.py

---
 openmc/weight_windows.py | 56 ++++++++++++++++++++++------------------
 1 file changed, 31 insertions(+), 25 deletions(-)

diff --git a/openmc/weight_windows.py b/openmc/weight_windows.py
index 65b9b7bb0..b825796dc 100644
--- a/openmc/weight_windows.py
+++ b/openmc/weight_windows.py
@@ -1,10 +1,12 @@
 from __future__ import annotations
 from collections.abc import Iterable
 from numbers import Real, Integral
-from typing import Iterable, List
+from typing import Iterable, List, Optional, Union
+import pathlib
 
 from xml.etree import ElementTree as ET
 import numpy as np
+import h5py
 
 from openmc.filter import _PARTICLES
 from openmc.mesh import MeshBase, RectilinearMesh, UnstructuredMesh
@@ -18,7 +20,7 @@ class WeightWindows(IDManagerMixin):
     """Mesh-based weight windows
 
     This class enables you to specify weight window parameters that are used in
-    a simulation. Multiple sets of weight windows can be defined for different
+    a simulation. Multiple sets of weight windows can be defined for differen  t
     meshes and different particles. An iterable of :class:`WeightWindows`
     instances can be assigned to the :attr:`openmc.Settings.weight_windows`
     attribute, which is then exported to XML.
@@ -103,16 +105,20 @@ class WeightWindows(IDManagerMixin):
     next_id = 1
     used_ids = set()
 
-    def __init__(self, mesh, lower_ww_bounds,
-                 upper_ww_bounds=None,
-                 upper_bound_ratio=None,
-                 energy_bounds=None,
-                 particle_type='neutron',
-                 survival_ratio=3,
-                 max_lower_bound_ratio=None,
-                 max_split=10,
-                 weight_cutoff=1.e-38,
-                 id=None):
+    def __init__(
+        self, 
+        mesh: MeshBase, 
+        lower_ww_bounds: np.ndarray,
+        upper_ww_bounds: Optional[np.ndarray] = None,
+        upper_bound_ratio: Optional[float] = None,
+        energy_bounds: Optional[Iterable[Real]] = None,
+        particle_type: str = 'neutron',
+        survival_ratio: float = 3,
+        max_lower_bound_ratio: Optional[float] = None,
+        max_split: int = 10,
+        weight_cutoff: float = 1.e-38,
+        id: Optional[int] = None
+    ):
         self.mesh = mesh
         self.id = id
         self.particle_type = particle_type
@@ -161,7 +167,7 @@ class WeightWindows(IDManagerMixin):
         string += '{: <16}=\t{}\n'.format('\tWeight Cutoff', self._weight_cutoff)
         return string
 
-    def __eq__(self, other) -> bool:
+    def __eq__(self, other: WeightWindows) -> bool:
         # ensure that `other` is a WeightWindows object
         if not isinstance(other, WeightWindows):
             return False
@@ -195,7 +201,7 @@ class WeightWindows(IDManagerMixin):
         return self._mesh
 
     @mesh.setter
-    def mesh(self, mesh):
+    def mesh(self, mesh: MeshBase):
         cv.check_type('Weight window mesh', mesh, MeshBase)
         self._mesh = mesh
 
@@ -204,7 +210,7 @@ class WeightWindows(IDManagerMixin):
         return self._particle_type
 
     @particle_type.setter
-    def particle_type(self, pt):
+    def particle_type(self, pt: str):
         cv.check_value('Particle type', pt, _PARTICLES)
         self._particle_type = pt
 
@@ -213,7 +219,7 @@ class WeightWindows(IDManagerMixin):
         return self._energy_bounds
 
     @energy_bounds.setter
-    def energy_bounds(self, bounds):
+    def energy_bounds(self, bounds: Iterable[Real]):
         cv.check_type('Energy bounds', bounds, Iterable, Real)
         self._energy_bounds = np.asarray(bounds)
 
@@ -228,7 +234,7 @@ class WeightWindows(IDManagerMixin):
         return self._lower_ww_bounds
 
     @lower_ww_bounds.setter
-    def lower_ww_bounds(self, bounds):
+    def lower_ww_bounds(self, bounds: Iterable[Real]):
         cv.check_iterable_type('Lower WW bounds',
                                bounds,
                                Real,
@@ -247,7 +253,7 @@ class WeightWindows(IDManagerMixin):
         return self._upper_ww_bounds
 
     @upper_ww_bounds.setter
-    def upper_ww_bounds(self, bounds):
+    def upper_ww_bounds(self, bounds: Iterable[Real]):
         cv.check_iterable_type('Upper WW bounds',
                                bounds,
                                Real,
@@ -266,7 +272,7 @@ class WeightWindows(IDManagerMixin):
         return self._survival_ratio
 
     @survival_ratio.setter
-    def survival_ratio(self, val):
+    def survival_ratio(self, val: float):
         cv.check_type('Survival ratio', val, Real)
         cv.check_greater_than('Survival ratio', val, 1.0, True)
         self._survival_ratio = val
@@ -276,7 +282,7 @@ class WeightWindows(IDManagerMixin):
         return self._max_lower_bound_ratio
 
     @max_lower_bound_ratio.setter
-    def max_lower_bound_ratio(self, val):
+    def max_lower_bound_ratio(self, val: float):
         cv.check_type('Maximum lower bound ratio', val, Real)
         cv.check_greater_than('Maximum lower bound ratio', val, 1.0)
         self._max_lower_bound_ratio = val
@@ -286,7 +292,7 @@ class WeightWindows(IDManagerMixin):
         return self._max_split
 
     @max_split.setter
-    def max_split(self, val):
+    def max_split(self, val: int):
         cv.check_type('Max split', val, Integral)
         self._max_split = val
 
@@ -295,7 +301,7 @@ class WeightWindows(IDManagerMixin):
         return self._weight_cutoff
 
     @weight_cutoff.setter
-    def weight_cutoff(self, cutoff):
+    def weight_cutoff(self, cutoff: float):
         cv.check_type('Weight cutoff', cutoff, Real)
         cv.check_greater_than('Weight cutoff', cutoff, 0.0, True)
         self._weight_cutoff = cutoff
@@ -343,7 +349,7 @@ class WeightWindows(IDManagerMixin):
         return element
 
     @classmethod
-    def from_xml_element(cls, elem, root) -> WeightWindows:
+    def from_xml_element(cls, elem: ET.Element, root: ET.Element) -> WeightWindows:
         """Generate weight window settings from an XML element
 
         Parameters
@@ -398,7 +404,7 @@ class WeightWindows(IDManagerMixin):
         )
 
     @classmethod
-    def from_hdf5(cls, group, meshes) -> WeightWindows:
+    def from_hdf5(cls, group: h5py.Group, meshes: dict) -> WeightWindows:
         """Create weight windows from HDF5 group
 
         Parameters
@@ -443,7 +449,7 @@ class WeightWindows(IDManagerMixin):
         )
 
 
-def wwinp_to_wws(path) -> List[WeightWindows]:
+def wwinp_to_wws(path: Union[str, pathlib.Path]) -> List[WeightWindows]:
     """Create WeightWindows instances from a wwinp file
 
     .. versionadded:: 0.13.1

From 1a0f442bba581b17e87b57b1adabdfede43d04f7 Mon Sep 17 00:00:00 2001
From: Christina Cai <chrsitinacai48933@gmail.com>
Date: Wed, 12 Apr 2023 14:22:17 -0400
Subject: [PATCH 1760/2654] added return types for model.py

---
 openmc/model/model.py | 26 ++++++++++++++------------
 1 file changed, 14 insertions(+), 12 deletions(-)

diff --git a/openmc/model/model.py b/openmc/model/model.py
index 4202cf60b..dd9251804 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -7,6 +7,7 @@ from numbers import Integral
 from tempfile import NamedTemporaryFile
 import warnings
 from xml.etree import ElementTree as ET
+from typing import Optional
 
 import h5py
 
@@ -16,6 +17,7 @@ from openmc.dummy_comm import DummyCommunicator
 from openmc.executor import _process_CLI_arguments
 from openmc.checkvalue import check_type, check_value
 from openmc.exceptions import InvalidIDError
+from openmc.model import Model
 
 
 @contextmanager
@@ -93,27 +95,27 @@ class Model:
             self.plots = plots
 
     @property
-    def geometry(self):
+    def geometry(self) -> Optional[openmc.Geometry]:
         return self._geometry
 
     @property
-    def materials(self):
+    def materials(self) -> Optional[openmc.Materials]:
         return self._materials
 
     @property
-    def settings(self):
+    def settings(self) -> Optional[openmc.Settings]:
         return self._settings
 
     @property
-    def tallies(self):
+    def tallies(self) -> Optional[openmc.Tallies]:
         return self._tallies
 
     @property
-    def plots(self):
+    def plots(self) -> Optional[openmc.Plots]:
         return self._plots
 
     @property
-    def is_initialized(self):
+    def is_initialized(self) -> bool:
         try:
             import openmc.lib
             return openmc.lib.is_initialized
@@ -122,7 +124,7 @@ class Model:
 
     @property
     @lru_cache(maxsize=None)
-    def _materials_by_id(self):
+    def _materials_by_id(self) -> dict:
         """Dictionary mapping material ID --> material"""
         if self.materials:
             mats = self.materials
@@ -132,14 +134,14 @@ class Model:
 
     @property
     @lru_cache(maxsize=None)
-    def _cells_by_id(self):
+    def _cells_by_id(self) -> dict:
         """Dictionary mapping cell ID --> cell"""
         cells = self.geometry.get_all_cells()
         return {cell.id: cell for cell in cells.values()}
 
     @property
     @lru_cache(maxsize=None)
-    def _cells_by_name(self):
+    def _cells_by_name(self) -> dict:
         # Get the names maps, but since names are not unique, store a set for
         # each name key. In this way when the user requests a change by a name,
         # the change will be applied to all of the same name.
@@ -152,7 +154,7 @@ class Model:
 
     @property
     @lru_cache(maxsize=None)
-    def _materials_by_name(self):
+    def _materials_by_name(self) -> dict:
         if self.materials is None:
             mats = self.geometry.get_all_materials().values()
         else:
@@ -207,7 +209,7 @@ class Model:
     @classmethod
     def from_xml(cls, geometry='geometry.xml', materials='materials.xml',
                  settings='settings.xml', tallies='tallies.xml',
-                 plots='plots.xml'):
+                 plots='plots.xml') -> Model:
         """Create model from existing XML files
 
         Parameters
@@ -597,7 +599,7 @@ class Model:
     def run(self, particles=None, threads=None, geometry_debug=False,
             restart_file=None, tracks=False, output=True, cwd='.',
             openmc_exec='openmc', mpi_args=None, event_based=None,
-            export_model_xml=True):
+            export_model_xml=True) -> Optional[Path]:
         """Runs OpenMC. If the C API has been initialized, then the C API is
         used, otherwise, this method creates the XML files and runs OpenMC via
         a system call. In both cases this method returns the path to the last

From 7ca82b59aa798bf2729e809c440d2630c718fb20 Mon Sep 17 00:00:00 2001
From: "Travis J. Labossiere-Hickman" <Travis.LabossiereHickman@INL.gov>
Date: Wed, 12 Apr 2023 12:22:45 -0600
Subject: [PATCH 1761/2654] Update the 2016 references to 2020

---
 openmc/data/data.py | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/openmc/data/data.py b/openmc/data/data.py
index 6793dff2e..16c7ecf54 100644
--- a/openmc/data/data.py
+++ b/openmc/data/data.py
@@ -207,8 +207,8 @@ _LOG_TWO = log(2.0)
 def atomic_mass(isotope):
     """Return atomic mass of isotope in atomic mass units.
 
-    Atomic mass data comes from the `Atomic Mass Evaluation 2016
-    <https://www-nds.iaea.org/amdc/ame2016/AME2016-a.pdf>`_.
+    Atomic mass data comes from the `Atomic Mass Evaluation 2020
+    <https://doi.org/10.1088/1674-1137/abddaf>`_.
 
     Parameters
     ----------

From 3692e7331fc3315b208b9e794f4ef534b7fd4664 Mon Sep 17 00:00:00 2001
From: Christina Cai <chrsitinacai48933@gmail.com>
Date: Wed, 12 Apr 2023 14:41:14 -0400
Subject: [PATCH 1762/2654] added return types for geometry.py

---
 openmc/geometry.py | 57 ++++++++++++++++++++++++----------------------
 1 file changed, 30 insertions(+), 27 deletions(-)

diff --git a/openmc/geometry.py b/openmc/geometry.py
index ad86cc56b..88871c544 100644
--- a/openmc/geometry.py
+++ b/openmc/geometry.py
@@ -1,12 +1,15 @@
+from __future__ import annotations
 import os
-import typing
+import typing 
 from collections import OrderedDict, defaultdict
 from collections.abc import Iterable
 from copy import deepcopy
 from pathlib import Path
-from xml.etree import ElementTree as ET
 import warnings
 
+from xml.etree import ElementTree as ET
+import numpy as np
+
 import openmc
 import openmc._xml as xml
 from .checkvalue import check_type, check_less_than, check_greater_than, PathLike
@@ -51,19 +54,19 @@ class Geometry:
                 self._root_universe = univ
 
     @property
-    def root_universe(self):
+    def root_universe(self) -> openmc.UniverseBase:
         return self._root_universe
 
     @property
-    def bounding_box(self):
+    def bounding_box(self) -> np.ndarray:
         return self.root_universe.bounding_box
 
     @property
-    def merge_surfaces(self):
+    def merge_surfaces(self) -> bool:
         return self._merge_surfaces
 
     @property
-    def surface_precision(self):
+    def surface_precision(self) -> int:
         return self._surface_precision
 
     @root_universe.setter
@@ -105,7 +108,7 @@ class Geometry:
                 if universe.id in volume_calc.volumes:
                     universe.add_volume_information(volume_calc)
 
-    def to_xml_element(self, remove_surfs=False):
+    def to_xml_element(self, remove_surfs=False) -> ET.Element:
         """Creates a 'geometry' element to be written to an XML file.
 
         Parameters
@@ -164,7 +167,7 @@ class Geometry:
         tree.write(str(p), xml_declaration=True, encoding='utf-8')
 
     @classmethod
-    def from_xml_element(cls, elem, materials=None):
+    def from_xml_element(cls, elem, materials=None) -> openmc.Geometry:
         """Generate geometry from an XML element
 
         Parameters
@@ -260,7 +263,7 @@ class Geometry:
         cls,
         path: PathLike = 'geometry.xml',
         materials: typing.Optional[typing.Union[PathLike, 'openmc.Materials']] = 'materials.xml'
-    ):
+    ) -> openmc.Geometry:
         """Generate geometry from XML file
 
         Parameters
@@ -290,7 +293,7 @@ class Geometry:
 
         return cls.from_xml_element(root, materials)
 
-    def find(self, point):
+    def find(self, point) -> list:
         """Find cells/universes/lattices which contain a given point
 
         Parameters
@@ -307,7 +310,7 @@ class Geometry:
         """
         return self.root_universe.find(point)
 
-    def get_instances(self, paths):
+    def get_instances(self, paths) -> typing.Union[int, typing.List[int]]:
         """Return the instance number(s) for a cell/material in a geometry path.
 
         The instance numbers are used as indices into distributed
@@ -354,7 +357,7 @@ class Geometry:
 
         return indices if return_list else indices[0]
 
-    def get_all_cells(self):
+    def get_all_cells(self) -> OrderedDict:
         """Return all cells in the geometry.
 
         Returns
@@ -368,7 +371,7 @@ class Geometry:
         else:
             return OrderedDict()
 
-    def get_all_universes(self):
+    def get_all_universes(self) -> OrderedDict:
         """Return all universes in the geometry.
 
         Returns
@@ -383,7 +386,7 @@ class Geometry:
         universes.update(self.root_universe.get_all_universes())
         return universes
 
-    def get_all_materials(self):
+    def get_all_materials(self) -> OrderedDict:
         """Return all materials within the geometry.
 
         Returns
@@ -398,7 +401,7 @@ class Geometry:
         else:
             return OrderedDict()
 
-    def get_all_material_cells(self):
+    def get_all_material_cells(self) -> OrderedDict:
         """Return all cells filled by a material
 
         Returns
@@ -417,7 +420,7 @@ class Geometry:
 
         return material_cells
 
-    def get_all_material_universes(self):
+    def get_all_material_universes(self) -> OrderedDict:
         """Return all universes having at least one material-filled cell.
 
         This method can be used to find universes that have at least one cell
@@ -440,7 +443,7 @@ class Geometry:
 
         return material_universes
 
-    def get_all_lattices(self):
+    def get_all_lattices(self) -> OrderedDict:
         """Return all lattices defined
 
         Returns
@@ -458,7 +461,7 @@ class Geometry:
 
         return lattices
 
-    def get_all_surfaces(self):
+    def get_all_surfaces(self) -> OrderedDict:
         """
         Return all surfaces used in the geometry
 
@@ -475,7 +478,7 @@ class Geometry:
                 surfaces = cell.region.get_surfaces(surfaces)
         return surfaces
 
-    def _get_domains_by_name(self, name, case_sensitive, matching, domain_type):
+    def _get_domains_by_name(self, name, case_sensitive, matching, domain_type) -> list:
         if not case_sensitive:
             name = name.lower()
 
@@ -492,7 +495,7 @@ class Geometry:
         domains.sort(key=lambda x: x.id)
         return domains
 
-    def get_materials_by_name(self, name, case_sensitive=False, matching=False):
+    def get_materials_by_name(self, name, case_sensitive=False, matching=False) -> typing.List[openmc.Material]:
         """Return a list of materials with matching names.
 
         Parameters
@@ -513,7 +516,7 @@ class Geometry:
         """
         return self._get_domains_by_name(name, case_sensitive, matching, 'material')
 
-    def get_cells_by_name(self, name, case_sensitive=False, matching=False):
+    def get_cells_by_name(self, name, case_sensitive=False, matching=False) -> typing.List[openmc.Cell]:
         """Return a list of cells with matching names.
 
         Parameters
@@ -534,7 +537,7 @@ class Geometry:
         """
         return self._get_domains_by_name(name, case_sensitive, matching, 'cell')
 
-    def get_surfaces_by_name(self, name, case_sensitive=False, matching=False):
+    def get_surfaces_by_name(self, name, case_sensitive=False, matching=False) -> typing.List[openmc.Surface]:
         """Return a list of surfaces with matching names.
 
         .. versionadded:: 0.13.3
@@ -557,7 +560,7 @@ class Geometry:
         """
         return self._get_domains_by_name(name, case_sensitive, matching, 'surface')
 
-    def get_cells_by_fill_name(self, name, case_sensitive=False, matching=False):
+    def get_cells_by_fill_name(self, name, case_sensitive=False, matching=False) -> typing.List[openmc.Cell]:
         """Return a list of cells with fills with matching names.
 
         Parameters
@@ -602,7 +605,7 @@ class Geometry:
 
         return sorted(cells, key=lambda x: x.id)
 
-    def get_universes_by_name(self, name, case_sensitive=False, matching=False):
+    def get_universes_by_name(self, name, case_sensitive=False, matching=False) -> typing.List[openmc.Universe]:
         """Return a list of universes with matching names.
 
         Parameters
@@ -623,7 +626,7 @@ class Geometry:
         """
         return self._get_domains_by_name(name, case_sensitive, matching, 'universe')
 
-    def get_lattices_by_name(self, name, case_sensitive=False, matching=False):
+    def get_lattices_by_name(self, name, case_sensitive=False, matching=False) -> typing.List[openmc.Lattice]:
         """Return a list of lattices with matching names.
 
         Parameters
@@ -644,7 +647,7 @@ class Geometry:
         """
         return self._get_domains_by_name(name, case_sensitive, matching, 'lattice')
 
-    def remove_redundant_surfaces(self):
+    def remove_redundant_surfaces(self) -> dict:
         """Remove and return all of the redundant surfaces.
 
         Uses surface_precision attribute of Geometry instance for rounding and
@@ -707,7 +710,7 @@ class Geometry:
         # Recursively traverse the CSG tree to count all cell instances
         self.root_universe._determine_paths(instances_only=instances_only)
 
-    def clone(self):
+    def clone(self) -> Geometry:
         """Create a copy of this geometry with new unique IDs for all of its
         enclosed materials, surfaces, cells, universes and lattices."""
 

From f7457d6427aa708f7140782b9447af44b80150c5 Mon Sep 17 00:00:00 2001
From: Christina Cai <chrsitinacai48933@gmail.com>
Date: Wed, 12 Apr 2023 15:11:13 -0400
Subject: [PATCH 1763/2654] fixed circular import error

---
 openmc/model/model.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/model/model.py b/openmc/model/model.py
index dd9251804..caf630180 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -1,3 +1,4 @@
+from __future__ import annotations
 from collections.abc import Iterable
 from contextlib import contextmanager
 from functools import lru_cache
@@ -17,7 +18,6 @@ from openmc.dummy_comm import DummyCommunicator
 from openmc.executor import _process_CLI_arguments
 from openmc.checkvalue import check_type, check_value
 from openmc.exceptions import InvalidIDError
-from openmc.model import Model
 
 
 @contextmanager

From 5fc51209ce3faf0761ac2e697cde0c921fd9e181 Mon Sep 17 00:00:00 2001
From: Christina Cai <chrsitinacai48933@gmail.com>
Date: Wed, 12 Apr 2023 15:21:49 -0400
Subject: [PATCH 1764/2654] added return types for material.py

---
 openmc/material.py | 73 +++++++++++++++++++++++-----------------------
 1 file changed, 37 insertions(+), 36 deletions(-)

diff --git a/openmc/material.py b/openmc/material.py
index a2c6138d2..66a626668 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -1,3 +1,4 @@
+from __future__ import annotations
 from collections import OrderedDict, defaultdict, namedtuple, Counter
 from collections.abc import Iterable
 from copy import deepcopy
@@ -6,7 +7,7 @@ from pathlib import Path
 import re
 import typing  # imported separately as py3.8 requires typing.Iterable
 import warnings
-from typing import Optional
+from typing import Optional, List, Union
 from xml.etree import ElementTree as ET
 
 import h5py
@@ -134,7 +135,7 @@ class Material(IDManagerMixin):
         # If specified, a list of table names
         self._sab = []
 
-    def __repr__(self):
+    def __repr__(self) -> str:
         string = 'Material\n'
         string += '{: <16}=\t{}\n'.format('\tID', self._id)
         string += '{: <16}=\t{}\n'.format('\tName', self._name)
@@ -166,34 +167,34 @@ class Material(IDManagerMixin):
         return string
 
     @property
-    def name(self):
+    def name(self) -> Optional[str]:
         return self._name
 
     @property
-    def temperature(self):
+    def temperature(self) -> Optional[float]:
         return self._temperature
 
     @property
-    def density(self):
+    def density(self) -> float:
         return self._density
 
     @property
-    def density_units(self):
+    def density_units(self) -> str:
         return self._density_units
 
     @property
-    def depletable(self):
+    def depletable(self) -> bool:
         return self._depletable
 
     @property
-    def paths(self):
+    def paths(self) -> List[str]:
         if self._paths is None:
             raise ValueError('Material instance paths have not been determined. '
                              'Call the Geometry.determine_paths() method.')
         return self._paths
 
     @property
-    def num_instances(self):
+    def num_instances(self) -> int:
         if self._num_instances is None:
             raise ValueError(
                 'Number of material instances have not been determined. Call '
@@ -201,15 +202,15 @@ class Material(IDManagerMixin):
         return self._num_instances
 
     @property
-    def nuclides(self):
+    def nuclides(self) -> List[namedtuple]:
         return self._nuclides
 
     @property
-    def isotropic(self):
+    def isotropic(self) -> List[str]:
         return self._isotropic
 
     @property
-    def average_molar_mass(self):
+    def average_molar_mass(self) -> float:
         # Using the sum of specified atomic or weight amounts as a basis, sum
         # the mass and moles of the material
         mass = 0.
@@ -226,11 +227,11 @@ class Material(IDManagerMixin):
         return mass / moles
 
     @property
-    def volume(self):
+    def volume(self) -> float:
         return self._volume
 
     @property
-    def ncrystal_cfg(self):
+    def ncrystal_cfg(self) -> str:
         return self._ncrystal_cfg
 
     @name.setter
@@ -267,7 +268,7 @@ class Material(IDManagerMixin):
         self._isotropic = list(isotropic)
 
     @property
-    def fissionable_mass(self):
+    def fissionable_mass(self) -> float:
         if self.volume is None:
             raise ValueError("Volume must be set in order to determine mass.")
         density = 0.0
@@ -291,7 +292,7 @@ class Material(IDManagerMixin):
         return openmc.data.combine_distributions(dists, probs) if dists else None
 
     @classmethod
-    def from_hdf5(cls, group: h5py.Group):
+    def from_hdf5(cls, group: h5py.Group) -> openmc.Material:
         """Create material from HDF5 group
 
         Parameters
@@ -346,7 +347,7 @@ class Material(IDManagerMixin):
         return material
 
     @classmethod
-    def from_ncrystal(cls, cfg, **kwargs):
+    def from_ncrystal(cls, cfg, **kwargs) -> openmc.Material:
         """Create material from NCrystal configuration string.
 
         Density, temperature, and material composition, and (ultimately) thermal
@@ -881,7 +882,7 @@ class Material(IDManagerMixin):
     def make_isotropic_in_lab(self):
         self.isotropic = [x.name for x in self._nuclides]
 
-    def get_elements(self):
+    def get_elements(self) -> List[str]:
         """Returns all elements in the material
 
         .. versionadded:: 0.12
@@ -895,7 +896,7 @@ class Material(IDManagerMixin):
 
         return sorted({re.split(r'(\d+)', i)[0] for i in self.get_nuclides()})
 
-    def get_nuclides(self, element: Optional[str] = None):
+    def get_nuclides(self, element: Optional[str] = None) -> List[str]:
         """Returns a list of all nuclides in the material, if the element
         argument is specified then just nuclides of that element are returned.
 
@@ -925,7 +926,7 @@ class Material(IDManagerMixin):
 
         return matching_nuclides
 
-    def get_nuclide_densities(self):
+    def get_nuclide_densities(self) -> dict:
         """Returns all nuclides in the material and their densities
 
         Returns
@@ -944,7 +945,7 @@ class Material(IDManagerMixin):
 
         return nuclides
 
-    def get_nuclide_atom_densities(self, nuclide: Optional[str] = None):
+    def get_nuclide_atom_densities(self, nuclide: Optional[str] = None) -> dict:
         """Returns one or all nuclides in the material and their atomic
         densities in units of atom/b-cm
 
@@ -1030,7 +1031,7 @@ class Material(IDManagerMixin):
         return nuclides
 
     def get_activity(self, units: str = 'Bq/cm3', by_nuclide: bool = False,
-                     volume: Optional[float] = None):
+                     volume: Optional[float] = None) -> Union[dict, float]:
         """Returns the activity of the material or for each nuclide in the
         material in units of [Bq], [Bq/g] or [Bq/cm3].
 
@@ -1077,7 +1078,7 @@ class Material(IDManagerMixin):
         return activity if by_nuclide else sum(activity.values())
 
     def get_decay_heat(self, units: str = 'W', by_nuclide: bool = False,
-                       volume: Optional[float] = None):
+                       volume: Optional[float] = None) -> Union[dict, float]:
         """Returns the decay heat of the material or for each nuclide in the
         material in units of [W], [W/g] or [W/cm3].
 
@@ -1125,7 +1126,7 @@ class Material(IDManagerMixin):
 
         return decayheat if by_nuclide else sum(decayheat.values())
 
-    def get_nuclide_atoms(self, volume: Optional[float] = None):
+    def get_nuclide_atoms(self, volume: Optional[float] = None) -> dict:
         """Return number of atoms of each nuclide in the material
 
         .. versionadded:: 0.13.1
@@ -1154,7 +1155,7 @@ class Material(IDManagerMixin):
             atoms[nuclide] = 1.0e24 * atom_per_bcm * volume
         return atoms
 
-    def get_mass_density(self, nuclide: Optional[str] = None):
+    def get_mass_density(self, nuclide: Optional[str] = None) -> float:
         """Return mass density of one or all nuclides
 
         Parameters
@@ -1176,7 +1177,7 @@ class Material(IDManagerMixin):
             mass_density += density_i
         return mass_density
 
-    def get_mass(self, nuclide: Optional[str] = None, volume: Optional[float] = None):
+    def get_mass(self, nuclide: Optional[str] = None, volume: Optional[float] = None) -> float:
         """Return mass of one or all nuclides.
 
         Note that this method requires that the :attr:`Material.volume` has
@@ -1206,7 +1207,7 @@ class Material(IDManagerMixin):
             raise ValueError("Volume must be set in order to determine mass.")
         return volume*self.get_mass_density(nuclide)
 
-    def clone(self, memo: Optional[dict] = None):
+    def clone(self, memo: Optional[dict] = None) -> Material:
         """Create a copy of this material with a new unique ID.
 
         Parameters
@@ -1245,7 +1246,7 @@ class Material(IDManagerMixin):
 
         return memo[self]
 
-    def _get_nuclide_xml(self, nuclide: str):
+    def _get_nuclide_xml(self, nuclide: str) -> ET.Element:
         xml_element = ET.Element("nuclide")
         xml_element.set("name", nuclide.name)
 
@@ -1256,19 +1257,19 @@ class Material(IDManagerMixin):
 
         return xml_element
 
-    def _get_macroscopic_xml(self, macroscopic: str):
+    def _get_macroscopic_xml(self, macroscopic: str) -> ET.Element:
         xml_element = ET.Element("macroscopic")
         xml_element.set("name", macroscopic)
 
         return xml_element
 
-    def _get_nuclides_xml(self, nuclides: typing.Iterable[str]):
+    def _get_nuclides_xml(self, nuclides: typing.Iterable[str]) -> List[ET.Element]:
         xml_elements = []
         for nuclide in nuclides:
             xml_elements.append(self._get_nuclide_xml(nuclide))
         return xml_elements
 
-    def to_xml_element(self):
+    def to_xml_element(self) -> ET.Element:
         """Return XML representation of the material
 
         Returns
@@ -1338,7 +1339,7 @@ class Material(IDManagerMixin):
 
     @classmethod
     def mix_materials(cls, materials, fracs: typing.Iterable[float],
-                      percent_type: str = 'ao', name: Optional[str] = None):
+                      percent_type: str = 'ao', name: Optional[str] = None) -> Material:
         """Mix materials together based on atom, weight, or volume fractions
 
         .. versionadded:: 0.12
@@ -1436,7 +1437,7 @@ class Material(IDManagerMixin):
         return new_mat
 
     @classmethod
-    def from_xml_element(cls, elem: ET.Element):
+    def from_xml_element(cls, elem: ET.Element) -> Material:
         """Generate material from an XML element
 
         Parameters
@@ -1530,7 +1531,7 @@ class Materials(cv.CheckedList):
             self += materials
 
     @property
-    def cross_sections(self):
+    def cross_sections(self) -> Optional[Union[str, Path]]:
         return self._cross_sections
 
     @cross_sections.setter
@@ -1638,7 +1639,7 @@ class Materials(cv.CheckedList):
             self._write_xml(fh)
 
     @classmethod
-    def from_xml_element(cls, elem):
+    def from_xml_element(cls, elem) -> Material:
         """Generate materials collection from XML file
 
         Parameters
@@ -1665,7 +1666,7 @@ class Materials(cv.CheckedList):
         return materials
 
     @classmethod
-    def from_xml(cls, path: PathLike = 'materials.xml'):
+    def from_xml(cls, path: PathLike = 'materials.xml') -> Material:
         """Generate materials collection from XML file
 
         Parameters

From aed797631b74ab7f01947c07668f259fef00053a Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 13 Apr 2023 07:25:19 -0500
Subject: [PATCH 1765/2654] Fix failing tests

---
 tests/regression_tests/triso/test.py         | 8 ++------
 tests/unit_tests/test_deplete_resultslist.py | 2 +-
 2 files changed, 3 insertions(+), 7 deletions(-)

diff --git a/tests/regression_tests/triso/test.py b/tests/regression_tests/triso/test.py
index 248724cc2..06ae04492 100644
--- a/tests/regression_tests/triso/test.py
+++ b/tests/regression_tests/triso/test.py
@@ -1,7 +1,3 @@
-import random
-from math import sqrt
-
-import numpy as np
 import openmc
 import openmc.model
 
@@ -65,8 +61,8 @@ class TRISOTestHarness(PyAPITestHarness):
         box = openmc.Cell(region=box_region)
 
         outer_radius = 422.5*1e-4
-        centers = openmc.model.pack_spheres(radius=outer_radius,
-            region=box_region, num_spheres=100)
+        centers = openmc.model.pack_spheres(
+            radius=outer_radius, region=box_region, num_spheres=100, seed=1)
         trisos = [openmc.model.TRISO(outer_radius, inner_univ, c)
             for c in centers]
 
diff --git a/tests/unit_tests/test_deplete_resultslist.py b/tests/unit_tests/test_deplete_resultslist.py
index 3c6d77a75..6e4a4210b 100644
--- a/tests/unit_tests/test_deplete_resultslist.py
+++ b/tests/unit_tests/test_deplete_resultslist.py
@@ -74,7 +74,7 @@ def test_get_keff(res):
 def test_get_steps(unit):
     # Make a Results full of near-empty Result instances
     # Just fill out a time schedule
-    results = openmc.deplete.Results()
+    results = openmc.deplete.Results(filename=None)
     # Time in units of unit
     times = np.linspace(0, 100, num=5)
     if unit == "a":

From 55473ee8a11d24600867d4c80c640b4386fea763 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Tue, 21 Mar 2023 16:39:27 -0500
Subject: [PATCH 1766/2654] Adding DAGMC testfor lost particles

---
 tests/unit_tests/dagmc/broken_model.h5m       | Bin 0 -> 1230000 bytes
 tests/unit_tests/dagmc/test_lost_particles.py |  98 ++++++++++++++++++
 2 files changed, 98 insertions(+)
 create mode 100644 tests/unit_tests/dagmc/broken_model.h5m
 create mode 100644 tests/unit_tests/dagmc/test_lost_particles.py

diff --git a/tests/unit_tests/dagmc/broken_model.h5m b/tests/unit_tests/dagmc/broken_model.h5m
new file mode 100644
index 0000000000000000000000000000000000000000..4bc6c7d4252e338cb669f4862e1e717321d47c80
GIT binary patch
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literal 0
HcmV?d00001

diff --git a/tests/unit_tests/dagmc/test_lost_particles.py b/tests/unit_tests/dagmc/test_lost_particles.py
new file mode 100644
index 000000000..a5c88cbb8
--- /dev/null
+++ b/tests/unit_tests/dagmc/test_lost_particles.py
@@ -0,0 +1,98 @@
+import numpy as np
+from pathlib import Path
+
+import openmc
+import openmc.lib
+
+import pytest
+
+pytestmark = pytest.mark.skipif(
+    not openmc.lib._dagmc_enabled(),
+    reason="DAGMC CAD geometry is not enabled.")
+
+
+@pytest.fixture
+def broken_dagmc_model(request):
+    openmc.reset_auto_ids()
+    model = openmc.model.Model()
+
+    ### MATERIALS ###
+    fuel = openmc.Material(name='no-void fuel')
+    fuel.set_density('g/cc', 10.29769)
+    fuel.add_nuclide('U234', 0.93120485)
+    fuel.add_nuclide('U235', 0.00055815)
+    fuel.add_nuclide('U238', 0.022408)
+    fuel.add_nuclide('O16', 0.045829)
+
+    cladding = openmc.Material(name='clad')
+    cladding.set_density('g/cc', 6.55)
+    cladding.add_nuclide('Zr90', 0.021827)
+    cladding.add_nuclide('Zr91', 0.00476)
+    cladding.add_nuclide('Zr92', 0.0072758)
+    cladding.add_nuclide('Zr94', 0.0073734)
+    cladding.add_nuclide('Zr96', 0.0011879)
+
+    water = openmc.Material(name='water')
+    water.set_density('g/cc', 0.740582)
+    water.add_nuclide('H1', 0.049457)
+    water.add_nuclide('O16', 0.024672)
+    water.add_nuclide('B10', 8.0042e-06)
+    water.add_nuclide('B11', 3.2218e-05)
+    water.add_s_alpha_beta('c_H_in_H2O')
+
+    model.materials = openmc.Materials([fuel, cladding, water])
+
+    ### GEOMETRY ###
+    # create the DAGMC universe using a model that has many triangles
+    # removed
+    dagmc_file = Path(request.fspath).parent / "broken_model.h5m"
+    pincell_univ = openmc.DAGMCUniverse(filename=dagmc_file, auto_geom_ids=True)
+
+    # create a 2 x 2 lattice using the DAGMC pincell
+    pitch = np.asarray((24.0, 24.0))
+    lattice = openmc.RectLattice()
+    lattice.pitch = pitch
+    lattice.universes = [[pincell_univ] * 2] * 2
+    lattice.lower_left = -pitch
+
+    left = openmc.XPlane(x0=-pitch[0], name='left', boundary_type='reflective')
+    right = openmc.XPlane(x0=pitch[0], name='right', boundary_type='reflective')
+    front = openmc.YPlane(y0=-pitch[1], name='front', boundary_type='reflective')
+    back = openmc.YPlane(y0=pitch[1], name='back', boundary_type='reflective')
+    # clip the DAGMC geometry at +/- 10 cm w/ CSG planes
+    bottom = openmc.ZPlane(z0=-10.0, name='bottom', boundary_type='reflective')
+    top = openmc.ZPlane(z0=10.0, name='top', boundary_type='reflective')
+
+    bounding_region = +left & -right & +front & -back & +bottom & -top
+    bounding_cell = openmc.Cell(fill=lattice, region=bounding_region)
+
+    model.geometry = openmc.Geometry(root=[bounding_cell])
+
+    # settings
+    model.settings.particles = 100
+    model.settings.batches = 10
+    model.settings.inactive = 2
+    model.settings.output = {'summary' : False}
+
+    model.export_to_xml()
+
+    return model
+
+
+def test_lost_particles(run_in_tmpdir, broken_dagmc_model):
+    broken_dagmc_model.export_to_xml()
+    # ensure that particles will be lost when cell intersections can't be found
+    # due to the removed triangles in this model
+    with pytest.raises(RuntimeError, match='Maximum number of lost particles has been reached.'):
+        openmc.run()
+
+    # run this again, but with the dagmc universe as the root unvierse
+    for univ in broken_dagmc_model.geometry.get_all_universes().values():
+        if isinstance(univ, openmc.DAGMCUniverse):
+            broken_dagmc_model.geometry.root_unvierse = univ
+            break
+
+    broken_dagmc_model.export_to_xml()
+    with pytest.raises(RuntimeError, match='Maximum number of lost particles has been reached.'):
+        openmc.run()
+

From 6b98142a121a59d0f21dcb5926e92551e409c001 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Tue, 21 Mar 2023 16:41:49 -0500
Subject: [PATCH 1767/2654] Use openmc.UniverseBase in lattice module

---
 openmc/lattice.py | 40 ++++++++++++++++++++--------------------
 1 file changed, 20 insertions(+), 20 deletions(-)

diff --git a/openmc/lattice.py b/openmc/lattice.py
index 464daaf7e..b067b47a3 100644
--- a/openmc/lattice.py
+++ b/openmc/lattice.py
@@ -34,16 +34,16 @@ class Lattice(IDManagerMixin, ABC):
         Name of the lattice
     pitch : Iterable of float
         Pitch of the lattice in each direction in cm
-    outer : openmc.Universe
+    outer : openmc.UniverseBase
         A universe to fill all space outside the lattice
-    universes : Iterable of Iterable of openmc.Universe
+    universes : Iterable of Iterable of openmc.UniverseBase
         A two-or three-dimensional list/array of universes filling each element
         of the lattice
 
     """
 
     next_id = 1
-    used_ids = openmc.Universe.used_ids
+    used_ids = openmc.UniverseBase.used_ids
 
     def __init__(self, lattice_id=None, name=''):
         # Initialize Lattice class attributes
@@ -79,7 +79,7 @@ class Lattice(IDManagerMixin, ABC):
 
     @outer.setter
     def outer(self, outer):
-        cv.check_type('outer universe', outer, openmc.Universe)
+        cv.check_type('outer universe', outer, openmc.UniverseBase)
         self._outer = outer
 
     @staticmethod
@@ -92,7 +92,7 @@ class Lattice(IDManagerMixin, ABC):
             Group in HDF5 file
         universes : dict
             Dictionary mapping universe IDs to instances of
-            :class:`openmc.Universe`.
+            :class:`openmc.UniverseBase`.
 
         Returns
         -------
@@ -115,20 +115,20 @@ class Lattice(IDManagerMixin, ABC):
         -------
         universes : collections.OrderedDict
             Dictionary whose keys are universe IDs and values are
-            :class:`openmc.Universe` instances
+            :class:`openmc.UniverseBase` instances
 
         """
 
         univs = OrderedDict()
         for k in range(len(self._universes)):
             for j in range(len(self._universes[k])):
-                if isinstance(self._universes[k][j], openmc.Universe):
+                if isinstance(self._universes[k][j], openmc.UniverseBase):
                     u = self._universes[k][j]
                     univs[u._id] = u
                 else:
                     for i in range(len(self._universes[k][j])):
                         u = self._universes[k][j][i]
-                        assert isinstance(u, openmc.Universe)
+                        assert isinstance(u, openmc.UniverseBase)
                         univs[u._id] = u
 
         if self.outer is not None:
@@ -246,7 +246,7 @@ class Lattice(IDManagerMixin, ABC):
 
         Returns
         -------
-        openmc.Universe
+        openmc.UniverseBase
             Universe with given indices
 
         """
@@ -370,9 +370,9 @@ class RectLattice(Lattice):
     pitch : Iterable of float
         Pitch of the lattice in the x, y, and (if applicable) z directions in
         cm.
-    outer : openmc.Universe
+    outer : openmc.UniverseBase
         A universe to fill all space outside the lattice
-    universes : Iterable of Iterable of openmc.Universe
+    universes : Iterable of Iterable of openmc.UniverseBase
         A two- or three-dimensional list/array of universes filling each element
         of the lattice. The first dimension corresponds to the z-direction (if
         applicable), the second dimension corresponds to the y-direction, and
@@ -633,11 +633,11 @@ class RectLattice(Lattice):
 
         cv.check_value('strategy', strategy, ('degenerate', 'lns'))
         cv.check_type('universes_to_ignore', universes_to_ignore, Iterable,
-                      openmc.Universe)
+                      openmc.UniverseBase)
         cv.check_type('materials_to_clone', materials_to_clone, Iterable,
                       openmc.Material)
         cv.check_type('lattice_neighbors', lattice_neighbors, Iterable,
-                      openmc.Universe)
+                      openmc.UniverseBase)
         cv.check_value('number of lattice_neighbors', len(lattice_neighbors),
                        (0, 8))
         cv.check_type('key', key, types.FunctionType)
@@ -973,7 +973,7 @@ class RectLattice(Lattice):
             Group in HDF5 file
         universes : dict
             Dictionary mapping universe IDs to instances of
-            :class:`openmc.Universe`.
+            :class:`openmc.UniverseBase`.
 
         Returns
         -------
@@ -999,7 +999,7 @@ class RectLattice(Lattice):
             lattice.outer = universes[outer]
 
         # Build array of Universe pointers for the Lattice
-        uarray = np.empty(universe_ids.shape, dtype=openmc.Universe)
+        uarray = np.empty(universe_ids.shape, dtype=openmc.UniverseBase)
 
         for z in range(universe_ids.shape[0]):
             for y in range(universe_ids.shape[1]):
@@ -1054,9 +1054,9 @@ class HexLattice(Lattice):
         Pitch of the lattice in cm. The first item in the iterable specifies the
         pitch in the radial direction and, if the lattice is 3D, the second item
         in the iterable specifies the pitch in the axial direction.
-    outer : openmc.Universe
+    outer : openmc.UniverseBase
         A universe to fill all space outside the lattice
-    universes : Nested Iterable of openmc.Universe
+    universes : Nested Iterable of openmc.UniverseBase
         A two- or three-dimensional list/array of universes filling each element
         of the lattice. Each sub-list corresponds to one ring of universes and
         should be ordered from outermost ring to innermost ring. The universes
@@ -1173,7 +1173,7 @@ class HexLattice(Lattice):
 
     @property
     def ndim(self):
-        return 2 if isinstance(self.universes[0][0], openmc.Universe) else 3
+        return 2 if isinstance(self.universes[0][0], openmc.UniverseBase) else 3
 
     @center.setter
     def center(self, center):
@@ -1196,7 +1196,7 @@ class HexLattice(Lattice):
 
     @Lattice.universes.setter
     def universes(self, universes):
-        cv.check_iterable_type('lattice universes', universes, openmc.Universe,
+        cv.check_iterable_type('lattice universes', universes, openmc.UniverseBase,
                                min_depth=2, max_depth=3)
         self._universes = universes
 
@@ -2052,7 +2052,7 @@ class HexLattice(Lattice):
             Group in HDF5 file
         universes : dict
             Dictionary mapping universe IDs to instances of
-            :class:`openmc.Universe`.
+            :class:`openmc.UniverseBase`.
 
         Returns
         -------

From 9da13a9087c8bd9feea65f32723f9b72174ebb69 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Tue, 21 Mar 2023 16:44:12 -0500
Subject: [PATCH 1768/2654] Adding function for root universe comparison

---
 include/openmc/geometry_aux.h | 8 ++++++++
 src/geometry_aux.cpp          | 5 +++++
 2 files changed, 13 insertions(+)

diff --git a/include/openmc/geometry_aux.h b/include/openmc/geometry_aux.h
index cf62debc0..0c870c9fb 100644
--- a/include/openmc/geometry_aux.h
+++ b/include/openmc/geometry_aux.h
@@ -126,6 +126,14 @@ std::string distribcell_path(
 
 int maximum_levels(int32_t univ);
 
+//==============================================================================
+//! Check whether or not a universe is the root universe using its ID.
+//! \param univ_id The ID of the universe to check.
+//! \return Whether or not it is the root universe.
+//==============================================================================
+
+bool is_root_universe(int32_t univ_id);
+
 //==============================================================================
 //! Deallocates global vectors and maps for cells, universes, and lattices.
 //==============================================================================
diff --git a/src/geometry_aux.cpp b/src/geometry_aux.cpp
index eabdc9f70..3ab5fcc2d 100644
--- a/src/geometry_aux.cpp
+++ b/src/geometry_aux.cpp
@@ -610,6 +610,11 @@ int maximum_levels(int32_t univ)
   return levels_below;
 }
 
+bool is_root_universe(int32_t univ_id)
+{
+  return model::universe_map[univ_id] == model::root_universe;
+}
+
 //==============================================================================
 
 void free_memory_geometry()

From d24ae2fe1f2ba4344f37cd1082a714afa2ed9eaa Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Tue, 21 Mar 2023 16:46:13 -0500
Subject: [PATCH 1769/2654] Some cleanup of the DAGCell::distance method and
 explanation for lost particle condition

---
 src/dagmc.cpp | 48 +++++++++++++++++++++++++++++-------------------
 1 file changed, 29 insertions(+), 19 deletions(-)

diff --git a/src/dagmc.cpp b/src/dagmc.cpp
index 04c8424aa..4d63f0892 100644
--- a/src/dagmc.cpp
+++ b/src/dagmc.cpp
@@ -587,32 +587,42 @@ std::pair<double, int32_t> DAGCell::distance(
   if (!dag_univ)
     fatal_error("DAGMC call made for particle in a non-DAGMC universe");
 
-  moab::ErrorCode rval;
+  // initialize to lost particle conditions
+  int surf_idx = -1;
+  double dist = INFINITY;
+
   moab::EntityHandle vol = dagmc_ptr_->entity_by_index(3, dag_index_);
   moab::EntityHandle hit_surf;
-  double dist;
+
+  // create the ray
   double pnt[3] = {r.x, r.y, r.z};
   double dir[3] = {u.x, u.y, u.z};
-  rval = dagmc_ptr_->ray_fire(vol, pnt, dir, hit_surf, dist, &p->history());
-  MB_CHK_ERR_CONT(rval);
-  int surf_idx;
+  MB_CHK_ERR_CONT(
+    dagmc_ptr_->ray_fire(vol, pnt, dir, hit_surf, dist, &p->history()));
   if (hit_surf != 0) {
     surf_idx =
       dag_univ->surf_idx_offset_ + dagmc_ptr_->index_by_handle(hit_surf);
-  } else {
-    // indicate that particle is lost
-    surf_idx = -1;
-    dist = INFINITY;
-    if (settings::run_mode == RunMode::PLOTTING) return {dist, surf_idx};
-    if (!dagmc_ptr_->is_implicit_complement(vol) ||
-        model::universe_map[dag_univ->id_] == model::root_universe) {
-      std::string material_id = p->material() == MATERIAL_VOID
-                              ? "-1 (VOID)"
-                              : std::to_string(model::materials[p->material()]->id());
-      p->mark_as_lost(
-        fmt::format("No intersection found with DAGMC cell {}, material {}",
-          id_, material_id));
-    }
+  } else if (!dagmc_ptr_->is_implicit_complement(vol) ||
+             is_root_universe(dag_univ->id_)) {
+    // surface boundary conditions are ignored for projection plotting, meaning
+    // that the particle may move through the graveyard (bounding) volume and
+    // into the implicit complement on the other side where no intersection will
+    // be found. Treating this as a lost particle is problematic when plotting.
+    // Instead, the infinite distance and invalid surface index are returned.
+    if (settings::run_mode == RunMode::PLOTTING) return {INFTY, -1};
+
+    // the particle should be marked as lost immediately if an intersection
+    // isn't found in a volume that is not the implicit complement. In the case
+    // that the DAGMC model is the root universe of the geometry, even a missing
+    // intersection in the implicit complement should trigger this condition.
+    std::string material_id =
+      p->material() == MATERIAL_VOID
+        ? "-1 (VOID)"
+        : std::to_string(model::materials[p->material()]->id());
+    auto lost_particle_msg = fmt::format(
+      "No intersection found with DAGMC cell {}, filled with material {}", id_,
+      material_id);
+    p->mark_as_lost(lost_particle_msg);
   }
 
   return {dist, surf_idx};

From 6b03287d52aa8b55320ee99f63d0d993b93eb375 Mon Sep 17 00:00:00 2001
From: Gavin Ridley <gavin.keith.ridley@gmail.com>
Date: Thu, 13 Apr 2023 16:09:07 -0400
Subject: [PATCH 1770/2654] add auto legend to universe.plot

---
 openmc/universe.py | 50 +++++++++++++++++++++++++++++++++++++++-------
 1 file changed, 43 insertions(+), 7 deletions(-)

diff --git a/openmc/universe.py b/openmc/universe.py
index 2ed96f4bc..a75af3b0d 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -87,7 +87,8 @@ class UniverseBase(ABC, IDManagerMixin):
                 self._volume = volume_calc.volumes[self.id].n
                 self._atoms = volume_calc.atoms[self.id]
             else:
-                raise ValueError('No volume information found for this universe.')
+                raise ValueError(
+                    'No volume information found for this universe.')
         else:
             raise ValueError('No volume information found for this universe.')
 
@@ -168,7 +169,7 @@ class UniverseBase(ABC, IDManagerMixin):
             clone._cells = OrderedDict()
             for cell in self._cells.values():
                 clone.add_cell(cell.clone(clone_materials, clone_regions,
-                     memo))
+                                          memo))
 
             # Memoize the clone
             memo[self] = clone
@@ -295,7 +296,7 @@ class Universe(UniverseBase):
 
     def plot(self, origin=(0., 0., 0.), width=(1., 1.), pixels=(200, 200),
              basis='xy', color_by='cell', colors=None, seed=None,
-             openmc_exec='openmc', axes=None, **kwargs):
+             openmc_exec='openmc', axes=None, legend=False, **kwargs):
         """Display a slice plot of the universe.
 
         Parameters
@@ -329,6 +330,8 @@ class Universe(UniverseBase):
             Axes to draw to
 
             .. versionadded:: 0.13.1
+        legend : bool
+            whether a legend showing material or cell names should be drawn
         **kwargs
             Keyword arguments passed to :func:`matplotlib.pyplot.imshow`
 
@@ -339,6 +342,7 @@ class Universe(UniverseBase):
 
         """
         import matplotlib.image as mpimg
+        import matplotlib.patches as mpatches
         import matplotlib.pyplot as plt
 
         # Determine extents of plot
@@ -396,6 +400,36 @@ class Universe(UniverseBase):
                 height = pixels[0]*px/(params.top - params.bottom)
                 fig.set_size_inches(width, height)
 
+            # add legend showing which colors represent which material
+            # or cell if that was requested
+            if legend:
+                if plot.colors is None:
+                    raise Exception("Must set plot color dictionary if you would"
+                                    " like to have an automatic legend.")
+
+                if color_by == "cell":
+                    expected_key_type = openmc.Cell
+                elif color_by == "material":
+                    expected_key_type = openmc.Material
+                else:
+                    raise Exception("wtf?")
+
+                patches = []
+                for key, color in plot.colors.items():
+
+                    if isinstance(key, int):
+                        raise Exception(
+                            "Cannot use IDs in colors dict for auto legend.")
+                    elif not isinstance(key, expected_key_type):
+                        raise Exception(
+                            "Color dict key type does not match color_by")
+
+                    # this works whether we're doing cells or materials
+                    key_patch = mpatches.Patch(color=color, label=key.name)
+                    patches.append(key_patch)
+
+                axes.legend(handles=patches)
+
             # Plot image and return the axes
             return axes.imshow(img, extent=(x_min, x_max, y_min, y_max), **kwargs)
 
@@ -738,8 +772,9 @@ class DAGMCUniverse(UniverseBase):
     @property
     def material_names(self):
         dagmc_file_contents = h5py.File(self.filename)
-        material_tags_hex=dagmc_file_contents['/tstt/tags/NAME'].get('values')
-        material_tags_ascii=[]
+        material_tags_hex = dagmc_file_contents['/tstt/tags/NAME'].get(
+            'values')
+        material_tags_ascii = []
         for tag in material_tags_hex:
             candidate_tag = tag.tobytes().decode().replace('\x00', '')
             # tags might be for temperature or reflective surfaces
@@ -905,7 +940,8 @@ class DAGMCUniverse(UniverseBase):
         openmc.Universe
             Universe instance
         """
-        bounding_cell = openmc.Cell(fill=self, cell_id=bounding_cell_id, region=self.bounding_region(**kwargs))
+        bounding_cell = openmc.Cell(
+            fill=self, cell_id=bounding_cell_id, region=self.bounding_region(**kwargs))
         return openmc.Universe(cells=[bounding_cell])
 
     @classmethod
@@ -972,4 +1008,4 @@ class DAGMCUniverse(UniverseBase):
         clone.volume = self.volume
         clone.auto_geom_ids = self.auto_geom_ids
         clone.auto_mat_ids = self.auto_mat_ids
-        return clone
\ No newline at end of file
+        return clone

From 966f3e51a886d1c5f5b0a3e062d832680781a127 Mon Sep 17 00:00:00 2001
From: christinacai123 <63215816+christinacai123@users.noreply.github.com>
Date: Thu, 13 Apr 2023 17:26:26 -0400
Subject: [PATCH 1771/2654] Apply suggestions from code review

Co-authored-by: Jonathan Shimwell <drshimwell@gmail.com>
---
 openmc/weight_windows.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/weight_windows.py b/openmc/weight_windows.py
index b825796dc..c08e5b35a 100644
--- a/openmc/weight_windows.py
+++ b/openmc/weight_windows.py
@@ -20,7 +20,7 @@ class WeightWindows(IDManagerMixin):
     """Mesh-based weight windows
 
     This class enables you to specify weight window parameters that are used in
-    a simulation. Multiple sets of weight windows can be defined for differen  t
+    a simulation. Multiple sets of weight windows can be defined for different
     meshes and different particles. An iterable of :class:`WeightWindows`
     instances can be assigned to the :attr:`openmc.Settings.weight_windows`
     attribute, which is then exported to XML.

From 304443070b174626230f6dfb6851a37f847265de Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 13 Apr 2023 22:01:16 -0500
Subject: [PATCH 1772/2654] Apply suggestions from @paulromano

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 tests/unit_tests/dagmc/test_lost_particles.py | 16 +++++-----------
 1 file changed, 5 insertions(+), 11 deletions(-)

diff --git a/tests/unit_tests/dagmc/test_lost_particles.py b/tests/unit_tests/dagmc/test_lost_particles.py
index a5c88cbb8..7659674f5 100644
--- a/tests/unit_tests/dagmc/test_lost_particles.py
+++ b/tests/unit_tests/dagmc/test_lost_particles.py
@@ -14,7 +14,7 @@ pytestmark = pytest.mark.skipif(
 @pytest.fixture
 def broken_dagmc_model(request):
     openmc.reset_auto_ids()
-    model = openmc.model.Model()
+    model = openmc.Model()
 
     ### MATERIALS ###
     fuel = openmc.Material(name='no-void fuel')
@@ -55,16 +55,10 @@ def broken_dagmc_model(request):
     lattice.universes = [[pincell_univ] * 2] * 2
     lattice.lower_left = -pitch
 
-    left = openmc.XPlane(x0=-pitch[0], name='left', boundary_type='reflective')
-    right = openmc.XPlane(x0=pitch[0], name='right', boundary_type='reflective')
-    front = openmc.YPlane(y0=-pitch[1], name='front', boundary_type='reflective')
-    back = openmc.YPlane(y0=pitch[1], name='back', boundary_type='reflective')
     # clip the DAGMC geometry at +/- 10 cm w/ CSG planes
-    bottom = openmc.ZPlane(z0=-10.0, name='bottom', boundary_type='reflective')
-    top = openmc.ZPlane(z0=10.0, name='top', boundary_type='reflective')
-
-    bounding_region = +left & -right & +front & -back & +bottom & -top
-    bounding_cell = openmc.Cell(fill=lattice, region=bounding_region)
+    rpp = openmc.model.RectangularParallelepiped(
+        -pitch[0], pitch[0], -pitch[1], pitch[1], -10.0, 10.0, boundary_type='reflective')
+    bounding_cell = openmc.Cell(fill=lattice, region=-rpp)
 
     model.geometry = openmc.Geometry(root=[bounding_cell])
 
@@ -72,7 +66,7 @@ def broken_dagmc_model(request):
     model.settings.particles = 100
     model.settings.batches = 10
     model.settings.inactive = 2
-    model.settings.output = {'summary' : False}
+    model.settings.output = {'summary': False}
 
     model.export_to_xml()
 

From 3a22be87a966f67f3fba5e35dd5e054ef253e759 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 13 Apr 2023 22:05:38 -0500
Subject: [PATCH 1773/2654] Removing unecessary nuclides

---
 tests/unit_tests/dagmc/test_lost_particles.py | 23 +++++--------------
 1 file changed, 6 insertions(+), 17 deletions(-)

diff --git a/tests/unit_tests/dagmc/test_lost_particles.py b/tests/unit_tests/dagmc/test_lost_particles.py
index 7659674f5..502bd795e 100644
--- a/tests/unit_tests/dagmc/test_lost_particles.py
+++ b/tests/unit_tests/dagmc/test_lost_particles.py
@@ -19,28 +19,17 @@ def broken_dagmc_model(request):
     ### MATERIALS ###
     fuel = openmc.Material(name='no-void fuel')
     fuel.set_density('g/cc', 10.29769)
-    fuel.add_nuclide('U234', 0.93120485)
-    fuel.add_nuclide('U235', 0.00055815)
-    fuel.add_nuclide('U238', 0.022408)
-    fuel.add_nuclide('O16', 0.045829)
+    fuel.add_nuclide('U233', 1.0)
 
     cladding = openmc.Material(name='clad')
     cladding.set_density('g/cc', 6.55)
-    cladding.add_nuclide('Zr90', 0.021827)
-    cladding.add_nuclide('Zr91', 0.00476)
-    cladding.add_nuclide('Zr92', 0.0072758)
-    cladding.add_nuclide('Zr94', 0.0073734)
-    cladding.add_nuclide('Zr96', 0.0011879)
+    cladding.add_nuclide('Zr90', 1.0)
 
-    water = openmc.Material(name='water')
-    water.set_density('g/cc', 0.740582)
-    water.add_nuclide('H1', 0.049457)
-    water.add_nuclide('O16', 0.024672)
-    water.add_nuclide('B10', 8.0042e-06)
-    water.add_nuclide('B11', 3.2218e-05)
-    water.add_s_alpha_beta('c_H_in_H2O')
+    h1 = openmc.Material(name='water')
+    h1.set_density('g/cc', 0.75)
+    h1.add_nuclide('H1', 1.0)
 
-    model.materials = openmc.Materials([fuel, cladding, water])
+    model.materials = openmc.Materials([fuel, cladding, h1])
 
     ### GEOMETRY ###
     # create the DAGMC universe using a model that has many triangles

From 6eb26b80c6a8fe4613b2183df61d6c3c49856366 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Fri, 14 Apr 2023 13:11:01 +0100
Subject: [PATCH 1774/2654] implemented BoundingBox class

---
 openmc/__init__.py                    |   1 +
 openmc/bounding_box.py                |  44 +++++++++++
 openmc/cell.py                        |   5 +-
 openmc/lib/cell.py                    |   4 +-
 openmc/region.py                      |   5 +-
 openmc/surface.py                     | 102 +++++++++++++++++---------
 tests/unit_tests/test_bounding_box.py |  67 +++++++++++++++++
 7 files changed, 188 insertions(+), 40 deletions(-)
 create mode 100644 openmc/bounding_box.py
 create mode 100644 tests/unit_tests/test_bounding_box.py

diff --git a/openmc/__init__.py b/openmc/__init__.py
index ac9e02e16..5bb150fb0 100644
--- a/openmc/__init__.py
+++ b/openmc/__init__.py
@@ -1,4 +1,5 @@
 from openmc.arithmetic import *
+from openmc.bounding_box import *
 from openmc.cell import *
 from openmc.checkvalue import *
 from openmc.mesh import *
diff --git a/openmc/bounding_box.py b/openmc/bounding_box.py
new file mode 100644
index 000000000..081893797
--- /dev/null
+++ b/openmc/bounding_box.py
@@ -0,0 +1,44 @@
+import numpy as np
+from .checkvalue import check_type, check_length
+
+
+class BoundingBox(tuple):
+    """Axis-aligned bounding box.
+
+    Parameters
+    ----------
+    corners : 2-tuple of numpy.array
+        Lower-left and upper-right coordinates of an axis-aligned bounding box
+        of the domain.
+
+    Attributes
+    ----------
+    volume: float
+        The volume of the bounding box in cm3
+    center: numpy.array
+        x, y, z coordinates of the center of the bounding box in cm.
+    """
+
+    def __init__(self, corners):
+
+        check_type("corners", corners, tuple)
+        check_type("corners", corners[0], np.ndarray)
+        check_type("corners", corners[1], np.ndarray)
+        check_length("corners", corners, 2, 2)
+        check_length("corners", corners[0], 3, 3)
+        check_length("corners", corners[1], 3, 3)
+        self.corners = corners
+
+    @property
+    def center(self):
+        """The center x, y, z coordinates of the bounding box"""
+        # x_center = (self.corners[0][0] - self.corners[1][0]) / 2
+        # y_center = (self.corners[0][1] - self.corners[1][1]) / 2
+        # z_center = (self.corners[0][2] - self.corners[1][2]) / 2
+        # return np.array([x_center, y_center, z_center])
+        return (self.corners[0] + self.corners[1]) / 2
+
+    @property
+    def volume(self):
+        """The volume of the bounding box"""
+        return np.abs(np.prod(self.corners[1] - self.corners[0]))
diff --git a/openmc/cell.py b/openmc/cell.py
index a8e1178f4..db8ffd48b 100644
--- a/openmc/cell.py
+++ b/openmc/cell.py
@@ -13,6 +13,7 @@ from ._xml import get_text
 from .mixin import IDManagerMixin
 from .region import Region, Complement
 from .surface import Halfspace
+from .bounding_box import BoundingBox
 
 
 class Cell(IDManagerMixin):
@@ -249,8 +250,8 @@ class Cell(IDManagerMixin):
         if self.region is not None:
             return self.region.bounding_box
         else:
-            return (np.array([-np.inf, -np.inf, -np.inf]),
-                    np.array([np.inf, np.inf, np.inf]))
+            return BoundingBox((np.array([-np.inf, -np.inf, -np.inf]),
+                    np.array([np.inf, np.inf, np.inf])))
 
     @property
     def num_instances(self):
diff --git a/openmc/lib/cell.py b/openmc/lib/cell.py
index b53a6be7a..c88d6da51 100644
--- a/openmc/lib/cell.py
+++ b/openmc/lib/cell.py
@@ -11,6 +11,8 @@ from . import _dll
 from .core import _FortranObjectWithID
 from .error import _error_handler
 from .material import Material
+from ..bounding_box import BoundingBox
+
 
 __all__ = ['Cell', 'cells']
 
@@ -289,7 +291,7 @@ class Cell(_FortranObjectWithID):
         llc[llc == -inf] = -np.inf
         urc[urc == -inf] = -np.inf
 
-        return llc, urc
+        return BoundingBox((llc, urc))
 
 
 class _CellMapping(Mapping):
diff --git a/openmc/region.py b/openmc/region.py
index 5d0e68020..d8935a070 100644
--- a/openmc/region.py
+++ b/openmc/region.py
@@ -6,6 +6,7 @@ from copy import deepcopy
 import numpy as np
 
 from .checkvalue import check_type
+from .bounding_box import BoundingBox
 
 
 class Region(ABC):
@@ -418,7 +419,7 @@ class Intersection(Region, MutableSequence):
             lower_left_n, upper_right_n = n.bounding_box
             lower_left[:] = np.maximum(lower_left, lower_left_n)
             upper_right[:] = np.minimum(upper_right, upper_right_n)
-        return lower_left, upper_right
+        return BoundingBox((lower_left, upper_right))
 
 
 class Union(Region, MutableSequence):
@@ -506,7 +507,7 @@ class Union(Region, MutableSequence):
             lower_left_n, upper_right_n = n.bounding_box
             lower_left[:] = np.minimum(lower_left, lower_left_n)
             upper_right[:] = np.maximum(upper_right, upper_right_n)
-        return lower_left, upper_right
+        return BoundingBox((lower_left, upper_right))
 
 
 class Complement(Region):
diff --git a/openmc/surface.py b/openmc/surface.py
index b8ea5479d..98ced13c6 100644
--- a/openmc/surface.py
+++ b/openmc/surface.py
@@ -12,6 +12,7 @@ import numpy as np
 from .checkvalue import check_type, check_value, check_length
 from .mixin import IDManagerMixin, IDWarning
 from .region import Region, Intersection, Union
+from .bounding_box import BoundingBox
 
 
 _BOUNDARY_TYPES = ['transmission', 'vacuum', 'reflective', 'periodic', 'white']
@@ -233,8 +234,10 @@ class Surface(IDManagerMixin, ABC):
             desired half-space
 
         """
-        return (np.array([-np.inf, -np.inf, -np.inf]),
-                np.array([np.inf, np.inf, np.inf]))
+        return BoundingBox((
+            np.array([-np.inf, -np.inf, -np.inf]),
+            np.array([np.inf, np.inf, np.inf])
+        ))
 
     def clone(self, memo=None):
         """Create a copy of this surface with a new unique ID.
@@ -539,7 +542,7 @@ class PlaneMixin:
                 else:
                     ur = np.array([v if not np.isnan(v) else np.inf for v in vals])
 
-        return (ll, ur)
+        return BoundingBox((ll, ur))
 
     def evaluate(self, point):
         """Evaluate the surface equation at a given point.
@@ -1196,8 +1199,10 @@ class Cylinder(QuadricMixin, Surface):
             return (np.array(ll), np.array(ur))
 
         elif side == '+':
-            return (np.array([-np.inf, -np.inf, -np.inf]),
-                    np.array([np.inf, np.inf, np.inf]))
+            return BoundingBox((
+                np.array([-np.inf, -np.inf, -np.inf]),
+                np.array([np.inf, np.inf, np.inf])
+            ))
 
     def _get_base_coeffs(self):
         # Get x, y, z coordinates of two points
@@ -1359,11 +1364,15 @@ class XCylinder(QuadricMixin, Surface):
 
     def bounding_box(self, side):
         if side == '-':
-            return (np.array([-np.inf, self.y0 - self.r, self.z0 - self.r]),
-                    np.array([np.inf, self.y0 + self.r, self.z0 + self.r]))
+            return BoundingBox((
+                np.array([-np.inf, self.y0 - self.r, self.z0 - self.r]),
+                np.array([np.inf, self.y0 + self.r, self.z0 + self.r])
+            ))
         elif side == '+':
-            return (np.array([-np.inf, -np.inf, -np.inf]),
-                    np.array([np.inf, np.inf, np.inf]))
+            return BoundingBox((
+                np.array([-np.inf, -np.inf, -np.inf]),
+                np.array([np.inf, np.inf, np.inf])
+            ))
 
     def evaluate(self, point):
         y = point[1] - self.y0
@@ -1450,11 +1459,15 @@ class YCylinder(QuadricMixin, Surface):
 
     def bounding_box(self, side):
         if side == '-':
-            return (np.array([self.x0 - self.r, -np.inf, self.z0 - self.r]),
-                    np.array([self.x0 + self.r, np.inf, self.z0 + self.r]))
+            return BoundingBox((
+                np.array([self.x0 - self.r, -np.inf, self.z0 - self.r]),
+                np.array([self.x0 + self.r, np.inf, self.z0 + self.r])
+            ))
         elif side == '+':
-            return (np.array([-np.inf, -np.inf, -np.inf]),
-                    np.array([np.inf, np.inf, np.inf]))
+            return BoundingBox((
+                np.array([-np.inf, -np.inf, -np.inf]),
+                np.array([np.inf, np.inf, np.inf])
+            ))
 
     def evaluate(self, point):
         x = point[0] - self.x0
@@ -1541,11 +1554,15 @@ class ZCylinder(QuadricMixin, Surface):
 
     def bounding_box(self, side):
         if side == '-':
-            return (np.array([self.x0 - self.r, self.y0 - self.r, -np.inf]),
-                    np.array([self.x0 + self.r, self.y0 + self.r, np.inf]))
+            return BoundingBox((
+                np.array([self.x0 - self.r, self.y0 - self.r, -np.inf]),
+                np.array([self.x0 + self.r, self.y0 + self.r, np.inf])
+            ))
         elif side == '+':
-            return (np.array([-np.inf, -np.inf, -np.inf]),
-                    np.array([np.inf, np.inf, np.inf]))
+            return BoundingBox((
+                np.array([-np.inf, -np.inf, -np.inf]),
+                np.array([np.inf, np.inf, np.inf])
+            ))
 
     def evaluate(self, point):
         x = point[0] - self.x0
@@ -1631,13 +1648,15 @@ class Sphere(QuadricMixin, Surface):
 
     def bounding_box(self, side):
         if side == '-':
-            return (np.array([self.x0 - self.r, self.y0 - self.r,
-                              self.z0 - self.r]),
-                    np.array([self.x0 + self.r, self.y0 + self.r,
-                              self.z0 + self.r]))
+            return BoundingBox((
+                np.array([self.x0 - self.r, self.y0 - self.r, self.z0 - self.r]),
+                np.array([self.x0 + self.r, self.y0 + self.r, self.z0 + self.r])
+            ))
         elif side == '+':
-            return (np.array([-np.inf, -np.inf, -np.inf]),
-                    np.array([np.inf, np.inf, np.inf]))
+            return BoundingBox((
+                np.array([-np.inf, -np.inf, -np.inf]),
+                np.array([np.inf, np.inf, np.inf])
+            ))
 
     def evaluate(self, point):
         x = point[0] - self.x0
@@ -2253,11 +2272,15 @@ class XTorus(TorusMixin, Surface):
         x0, y0, z0 = self.x0, self.y0, self.z0
         a, b, c = self.a, self.b, self.c
         if side == '-':
-            return (np.array([x0 - b, y0 - a - c, z0 - a - c]),
-                    np.array([x0 + b, y0 + a + c, z0 + a + c]))
+            return BoundingBox((
+                np.array([x0 - b, y0 - a - c, z0 - a - c]),
+                np.array([x0 + b, y0 + a + c, z0 + a + c])
+            ))
         elif side == '+':
-            return (np.array([-np.inf, -np.inf, -np.inf]),
-                    np.array([np.inf, np.inf, np.inf]))
+            return BoundingBox((
+                np.array([-np.inf, -np.inf, -np.inf]),
+                np.array([np.inf, np.inf, np.inf])
+            ))
 
 class YTorus(TorusMixin, Surface):
     r"""A torus of the form :math:`(y - y_0)^2/B^2 + (\sqrt{(x - x_0)^2 + (z -
@@ -2324,11 +2347,16 @@ class YTorus(TorusMixin, Surface):
         x0, y0, z0 = self.x0, self.y0, self.z0
         a, b, c = self.a, self.b, self.c
         if side == '-':
-            return (np.array([x0 - a - c, y0 - b, z0 - a - c]),
-                    np.array([x0 + a + c, y0 + b, z0 + a + c]))
+            return BoundingBox((
+                np.array([x0 - a - c, y0 - b, z0 - a - c]),
+                np.array([x0 + a + c, y0 + b, z0 + a + c])
+            ))
         elif side == '+':
-            return (np.array([-np.inf, -np.inf, -np.inf]),
-                    np.array([np.inf, np.inf, np.inf]))
+            return BoundingBox((
+                np.array([-np.inf, -np.inf, -np.inf]),
+                np.array([np.inf, np.inf, np.inf])
+            ))
+
 
 class ZTorus(TorusMixin, Surface):
     r"""A torus of the form :math:`(z - z_0)^2/B^2 + (\sqrt{(x - x_0)^2 + (y -
@@ -2395,11 +2423,15 @@ class ZTorus(TorusMixin, Surface):
         x0, y0, z0 = self.x0, self.y0, self.z0
         a, b, c = self.a, self.b, self.c
         if side == '-':
-            return (np.array([x0 - a - c, y0 - a - c, z0 - b]),
-                    np.array([x0 + a + c, y0 + a + c, z0 + b]))
+            return BoundingBox((
+                np.array([x0 - a - c, y0 - a - c, z0 - b]),
+                np.array([x0 + a + c, y0 + a + c, z0 + b])
+            ))
         elif side == '+':
-            return (np.array([-np.inf, -np.inf, -np.inf]),
-                    np.array([np.inf, np.inf, np.inf]))
+            return BoundingBox((
+                np.array([-np.inf, -np.inf, -np.inf]),
+                np.array([np.inf, np.inf, np.inf])
+            ))
 
 
 class Halfspace(Region):
diff --git a/tests/unit_tests/test_bounding_box.py b/tests/unit_tests/test_bounding_box.py
new file mode 100644
index 000000000..72c1baf48
--- /dev/null
+++ b/tests/unit_tests/test_bounding_box.py
@@ -0,0 +1,67 @@
+import numpy as np
+import openmc
+import pytest
+
+
+test_bb_1 = openmc.BoundingBox(
+    (np.array([-10.0, -20.0, -30.0]), np.array([1.0, 2.0, 3.0]))
+)
+test_bb_2 = openmc.BoundingBox(
+    (np.array([1.0, 2.0, 3.0]), np.array([11.0, 22.0, 33.0]))
+)
+test_bb_3 = openmc.BoundingBox(
+    (np.array([-10.0, -20.0, -30.0]), np.array([-1.0, -2.0, -3.0]))
+)
+
+
+@pytest.mark.parametrize(
+    "bb, expected",
+    [
+        (test_bb_1, 7986),  # 11 * 22 * 33
+        (test_bb_2, 6000),  # 10 * 20 * 30
+        (test_bb_3, 4374),  # 9 * 18 * 27
+    ],
+)
+def test_bounding_box_volume(bb, expected):
+    assert bb.volume == expected
+
+
+@pytest.mark.parametrize(
+    "bb, expected",
+    [
+        (test_bb_1, np.array([-4.5, -9.0, -13.5])),
+        (test_bb_2, np.array([6.0, 12.0, 18.0])),
+        (test_bb_3, np.array([-5.5, -11.0, -16.5])),
+    ],
+)
+def test_bounding_box_center(bb, expected):
+    assert np.array_equiv(expected, bb.center)
+
+
+def test_bounding_box_input_checking():
+    # checks that a list is not accepted instead of np.array
+    with pytest.raises(TypeError):
+        openmc.BoundingBox(([-10, -20, -30], [1, 2, 3]))
+    # checks that a list is not accepted instead of tuple
+    with pytest.raises(TypeError):
+        openmc.BoundingBox([np.array([-10, -20, -30]), np.array([1, 2, 3])])
+    # checks that a tuple with one entry is not accepted
+    with pytest.raises(TypeError):
+        openmc.BoundingBox((np.array([-10, -20, -30])))
+    # checks that a tuple with three entry is not accepted
+    with pytest.raises(ValueError):
+        openmc.BoundingBox(
+            (np.array([-1, -2, -3]), np.array([-1, -2, -3]), np.array([-1, -2, -3]))
+        )
+    # checks that a numpy array with two entries is not accepted
+    with pytest.raises(ValueError):
+        openmc.BoundingBox((np.array([-10, -30]), np.array([1, 2, 3])))
+    # checks that a numpy array with two entries is not accepted
+    with pytest.raises(ValueError):
+        openmc.BoundingBox((np.array([-10, -20, -30]), np.array([1, 3])))
+    # checks that a numpy array with four entries is not accepted
+    with pytest.raises(ValueError):
+        openmc.BoundingBox((np.array([-10, -20, -3, -4]), np.array([1, 2, 3])))
+    # checks that a numpy array with four entries is not accepted
+    with pytest.raises(ValueError):
+        openmc.BoundingBox((np.array([-10, -20, -4]), np.array([1, 2, 3, 4])))

From b3ff7f26e37675a193cccbb5b6f2a49a35b22b91 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Fri, 14 Apr 2023 14:06:15 +0100
Subject: [PATCH 1775/2654] removed commented out code

---
 openmc/bounding_box.py | 4 ----
 1 file changed, 4 deletions(-)

diff --git a/openmc/bounding_box.py b/openmc/bounding_box.py
index 081893797..e9f225fe1 100644
--- a/openmc/bounding_box.py
+++ b/openmc/bounding_box.py
@@ -32,10 +32,6 @@ class BoundingBox(tuple):
     @property
     def center(self):
         """The center x, y, z coordinates of the bounding box"""
-        # x_center = (self.corners[0][0] - self.corners[1][0]) / 2
-        # y_center = (self.corners[0][1] - self.corners[1][1]) / 2
-        # z_center = (self.corners[0][2] - self.corners[1][2]) / 2
-        # return np.array([x_center, y_center, z_center])
         return (self.corners[0] + self.corners[1]) / 2
 
     @property

From c4aafdd5089a6b91e6f1985d5374a0e098c722e4 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Fri, 14 Apr 2023 17:11:44 +0100
Subject: [PATCH 1776/2654] added ll and ur as suggested by @pshriwise

---
 openmc/bounding_box.py                | 18 ++++++++++++++++--
 tests/unit_tests/test_bounding_box.py | 24 ++++++++++++++++++++++++
 2 files changed, 40 insertions(+), 2 deletions(-)

diff --git a/openmc/bounding_box.py b/openmc/bounding_box.py
index e9f225fe1..e297cc225 100644
--- a/openmc/bounding_box.py
+++ b/openmc/bounding_box.py
@@ -13,10 +13,14 @@ class BoundingBox(tuple):
 
     Attributes
     ----------
-    volume: float
-        The volume of the bounding box in cm3
     center: numpy.array
         x, y, z coordinates of the center of the bounding box in cm.
+    lower_left: numpy.array
+        The x, y, z coordinates of the lower left corner of the bounding box
+    upper_right
+        The x, y, z coordinates of the upper right corner of the bounding box
+    volume: float
+        The volume of the bounding box in cm3
     """
 
     def __init__(self, corners):
@@ -34,6 +38,16 @@ class BoundingBox(tuple):
         """The center x, y, z coordinates of the bounding box"""
         return (self.corners[0] + self.corners[1]) / 2
 
+    @property
+    def lower_left(self):
+        """The x, y, z coordinates of the lower left corner of the bounding box"""
+        return self.corners[0]
+
+    @property
+    def upper_right(self):
+        """The x, y, z coordinates of the upper right corner of the bounding box"""
+        return self.corners[1]
+
     @property
     def volume(self):
         """The volume of the bounding box"""
diff --git a/tests/unit_tests/test_bounding_box.py b/tests/unit_tests/test_bounding_box.py
index 72c1baf48..419ada653 100644
--- a/tests/unit_tests/test_bounding_box.py
+++ b/tests/unit_tests/test_bounding_box.py
@@ -26,6 +26,30 @@ def test_bounding_box_volume(bb, expected):
     assert bb.volume == expected
 
 
+@pytest.mark.parametrize(
+    "bb, expected",
+    [
+        (test_bb_1, np.array([-10.0, -20.0, -30.0])),
+        (test_bb_2, np.array([1.0, 2.0, 3.0])),
+        (test_bb_3, np.array([-10.0, -20.0, -30.0])),
+    ],
+)
+def test_bounding_lower_left(bb, expected):
+    assert np.array_equiv(expected, bb.lower_left)
+
+
+@pytest.mark.parametrize(
+    "bb, expected",
+    [
+        (test_bb_1, np.array([1.0, 2.0, 3.0])),
+        (test_bb_2, np.array([11.0, 22.0, 33.0])),
+        (test_bb_3, np.array([-1.0, -2.0, -3.0])),
+    ],
+)
+def test_bounding_upper_right(bb, expected):
+    assert np.array_equiv(expected, bb.upper_right)
+
+
 @pytest.mark.parametrize(
     "bb, expected",
     [

From 8bc434a67d0579b8af89cb5560289b2416d411cd Mon Sep 17 00:00:00 2001
From: Gavin Ridley <gavin.keith.ridley@gmail.com>
Date: Fri, 14 Apr 2023 12:36:24 -0400
Subject: [PATCH 1777/2654] move legend outside image

Co-authored-by: Jonathan Shimwell <drshimwell@gmail.com>
---
 openmc/universe.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/universe.py b/openmc/universe.py
index a75af3b0d..a7f9e3d6e 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -428,7 +428,7 @@ class Universe(UniverseBase):
                     key_patch = mpatches.Patch(color=color, label=key.name)
                     patches.append(key_patch)
 
-                axes.legend(handles=patches)
+                axes.legend(handles=patches, bbox_to_anchor=(1.05, 1), loc=2, borderaxespad=0.0)
 
             # Plot image and return the axes
             return axes.imshow(img, extent=(x_min, x_max, y_min, y_max), **kwargs)

From 0738a359c2369d563d5a10af92802763640b793b Mon Sep 17 00:00:00 2001
From: Gavin Ridley <gavin.keith.ridley@gmail.com>
Date: Fri, 14 Apr 2023 12:38:46 -0400
Subject: [PATCH 1778/2654] if/else -> ternary

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 include/openmc/file_utils.h | 5 +----
 1 file changed, 1 insertion(+), 4 deletions(-)

diff --git a/include/openmc/file_utils.h b/include/openmc/file_utils.h
index 5604e3230..6a4837989 100644
--- a/include/openmc/file_utils.h
+++ b/include/openmc/file_utils.h
@@ -53,10 +53,7 @@ inline std::string get_file_extension(const std::string& filename)
   // check that at least one character is present.
   const bool has_alpha = std::any_of(ending.begin(), ending.end(),
     [](char x) { return static_cast<bool>(std::isalpha(x)); });
-  if (has_alpha)
-    return ending;
-  else
-    return "";
+  return has_alpha ? ending : "";
 }
 
 } // namespace openmc

From 5ca6ee06540c9ce80515af639b8a510a5b542b48 Mon Sep 17 00:00:00 2001
From: Gavin Ridley <gavin.keith.ridley@gmail.com>
Date: Fri, 14 Apr 2023 12:39:09 -0400
Subject: [PATCH 1779/2654] use auto rather than std::string::size_type

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 include/openmc/file_utils.h | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/include/openmc/file_utils.h b/include/openmc/file_utils.h
index 6a4837989..786d35955 100644
--- a/include/openmc/file_utils.h
+++ b/include/openmc/file_utils.h
@@ -42,7 +42,7 @@ inline bool file_exists(const std::string& filename)
 inline std::string get_file_extension(const std::string& filename)
 {
   // check that at least one letter is present
-  const std::string::size_type last_period_pos = filename.find_last_of('.');
+  const auto last_period_pos = filename.find_last_of('.');
 
   // no file extension
   if (last_period_pos == std::string::npos)

From 489eb59c99862106e0d8b4efe5ed8b32d94c276f Mon Sep 17 00:00:00 2001
From: Gavin Ridley <gavin.keith.ridley@gmail.com>
Date: Fri, 14 Apr 2023 13:00:39 -0400
Subject: [PATCH 1780/2654] alphabetize source files in cmakelists

---
 CMakeLists.txt | 14 +++++++-------
 1 file changed, 7 insertions(+), 7 deletions(-)

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 866050a98..70152bb6b 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -334,10 +334,10 @@ list(APPEND libopenmc_SOURCES
   src/bank.cpp
   src/boundary_condition.cpp
   src/bremsstrahlung.cpp
-  src/dagmc.cpp
   src/cell.cpp
   src/cmfd_solver.cpp
   src/cross_sections.cpp
+  src/dagmc.cpp
   src/distribution.cpp
   src/distribution_angle.cpp
   src/distribution_energy.cpp
@@ -347,11 +347,11 @@ list(APPEND libopenmc_SOURCES
   src/endf.cpp
   src/error.cpp
   src/event.cpp
-  src/initialize.cpp
   src/finalize.cpp
   src/geometry.cpp
   src/geometry_aux.cpp
   src/hdf5_interface.cpp
+  src/initialize.cpp
   src/lattice.cpp
   src/material.cpp
   src/math_functions.cpp
@@ -393,15 +393,15 @@ list(APPEND libopenmc_SOURCES
   src/tallies/derivative.cpp
   src/tallies/filter.cpp
   src/tallies/filter_azimuthal.cpp
-  src/tallies/filter_cellborn.cpp
-  src/tallies/filter_cellfrom.cpp
   src/tallies/filter_cell.cpp
   src/tallies/filter_cell_instance.cpp
+  src/tallies/filter_cellborn.cpp
+  src/tallies/filter_cellfrom.cpp
+  src/tallies/filter_collision.cpp
   src/tallies/filter_delayedgroup.cpp
   src/tallies/filter_distribcell.cpp
-  src/tallies/filter_energyfunc.cpp
   src/tallies/filter_energy.cpp
-  src/tallies/filter_collision.cpp
+  src/tallies/filter_energyfunc.cpp
   src/tallies/filter_legendre.cpp
   src/tallies/filter_material.cpp
   src/tallies/filter_mesh.cpp
@@ -418,8 +418,8 @@ list(APPEND libopenmc_SOURCES
   src/tallies/tally.cpp
   src/tallies/tally_scoring.cpp
   src/tallies/trigger.cpp
-  src/timer.cpp
   src/thermal.cpp
+  src/timer.cpp
   src/track_output.cpp
   src/universe.cpp
   src/urr.cpp

From 405717a3cf4b298e0367832faa90078cb75f77a2 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 14 Apr 2023 16:41:51 -0500
Subject: [PATCH 1781/2654] Modifying batch estimation message if the
 uncertainty ratio is inf

---
 src/tallies/trigger.cpp | 17 +++++++++++------
 1 file changed, 11 insertions(+), 6 deletions(-)

diff --git a/src/tallies/trigger.cpp b/src/tallies/trigger.cpp
index 79af65879..590a54773 100644
--- a/src/tallies/trigger.cpp
+++ b/src/tallies/trigger.cpp
@@ -211,13 +211,18 @@ void check_triggers()
     auto n_pred_batches = static_cast<int>(n_active * max_ratio * max_ratio) +
                           settings::n_inactive + 1;
 
-    std::string msg =
-      fmt::format("The estimated number of batches is {}", n_pred_batches);
-    if (n_pred_batches > settings::n_max_batches) {
-      msg.append(" --- greater than max batches");
-      warning(msg);
-    } else {
+    if (max_ratio == INFINITY) {
+      std::string msg = fmt::format("One or more tallies with triggers have no scores. Unable to estimate the number of remaining batches.");
       write_message(msg, 7);
+    } else {
+      std::string msg =
+        fmt::format("The estimated number of batches is {}", n_pred_batches);
+      if (n_pred_batches > settings::n_max_batches) {
+        msg.append(" --- greater than max batches");
+        warning(msg);
+      } else {
+        write_message(msg, 7);
+      }
     }
   }
 }

From e1102b6408437ea3e4ecfd2364ea0d739ef20a1f Mon Sep 17 00:00:00 2001
From: Gavin Ridley <gavin.keith.ridley@gmail.com>
Date: Sat, 15 Apr 2023 11:52:36 -0400
Subject: [PATCH 1782/2654] move file_utils to its own source file

---
 CMakeLists.txt              |  1 +
 include/openmc/file_utils.h | 40 +++-----------------------------
 src/file_utils.cpp          | 46 +++++++++++++++++++++++++++++++++++++
 3 files changed, 50 insertions(+), 37 deletions(-)
 create mode 100644 src/file_utils.cpp

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 70152bb6b..6530016fe 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -347,6 +347,7 @@ list(APPEND libopenmc_SOURCES
   src/endf.cpp
   src/error.cpp
   src/event.cpp
+  src/file_utils.cpp
   src/finalize.cpp
   src/geometry.cpp
   src/geometry_aux.cpp
diff --git a/include/openmc/file_utils.h b/include/openmc/file_utils.h
index 786d35955..11b20b4aa 100644
--- a/include/openmc/file_utils.h
+++ b/include/openmc/file_utils.h
@@ -1,11 +1,7 @@
 #ifndef OPENMC_FILE_UTILS_H
 #define OPENMC_FILE_UTILS_H
 
-#include <algorithm> // any_of
-#include <cctype>    // for isalpha
-#include <fstream> // for ifstream
 #include <string>
-#include <sys/stat.h>
 
 namespace openmc {
 
@@ -13,48 +9,18 @@ namespace openmc {
 //! Determine if a path is a directory
 //! \param[in] path Path to check
 //! \return Whether the path is a directory
-inline bool dir_exists(const std::string& path)
-{
-  struct stat s;
-  if (stat(path.c_str(), &s) != 0)
-    return false;
-
-  return s.st_mode & S_IFDIR;
-}
+bool dir_exists(const std::string& path);
 
 //! Determine if a file exists
 //! \param[in] filename Path to file
 //! \return Whether file exists
-inline bool file_exists(const std::string& filename)
-{
-  // rule out file being a path to a directory
-  if (dir_exists(filename))
-    return false;
-
-  std::ifstream s {filename};
-  return s.good();
-}
+bool file_exists(const std::string& filename);
 
 // Gets the file extension of whatever string is passed in. This is defined as
 // a sequence of strictly alphanumeric characters which follow the last period,
 // i.e. at least one alphabet character is present, and zero or more numbers.
 // If such a sequence of characters is not found, an empty string is returned.
-inline std::string get_file_extension(const std::string& filename)
-{
-  // check that at least one letter is present
-  const auto last_period_pos = filename.find_last_of('.');
-
-  // no file extension
-  if (last_period_pos == std::string::npos)
-    return "";
-
-  const std::string ending = filename.substr(last_period_pos + 1);
-
-  // check that at least one character is present.
-  const bool has_alpha = std::any_of(ending.begin(), ending.end(),
-    [](char x) { return static_cast<bool>(std::isalpha(x)); });
-  return has_alpha ? ending : "";
-}
+std::string get_file_extension(const std::string& filename);
 
 } // namespace openmc
 
diff --git a/src/file_utils.cpp b/src/file_utils.cpp
new file mode 100644
index 000000000..15b30e3b6
--- /dev/null
+++ b/src/file_utils.cpp
@@ -0,0 +1,46 @@
+#include "openmc/file_utils.h"
+
+#include <algorithm> // any_of
+#include <cctype>    // for isalpha
+#include <fstream>   // for ifstream
+#include <sys/stat.h>
+
+namespace openmc {
+
+bool dir_exists(const std::string& path)
+{
+  struct stat s;
+  if (stat(path.c_str(), &s) != 0)
+    return false;
+
+  return s.st_mode & S_IFDIR;
+}
+
+bool file_exists(const std::string& filename)
+{
+  // rule out file being a path to a directory
+  if (dir_exists(filename))
+    return false;
+
+  std::ifstream s {filename};
+  return s.good();
+}
+
+std::string get_file_extension(const std::string& filename)
+{
+  // check that at least one letter is present
+  const auto last_period_pos = filename.find_last_of('.');
+
+  // no file extension
+  if (last_period_pos == std::string::npos)
+    return "";
+
+  const std::string ending = filename.substr(last_period_pos + 1);
+
+  // check that at least one character is present.
+  const bool has_alpha = std::any_of(ending.begin(), ending.end(),
+    [](char x) { return static_cast<bool>(std::isalpha(x)); });
+  return has_alpha ? ending : "";
+}
+
+} // namespace openmc

From f202377fb7f2b4426cdb82f4d550ebc456ab4d42 Mon Sep 17 00:00:00 2001
From: Gavin Ridley <gavin.keith.ridley@gmail.com>
Date: Sat, 15 Apr 2023 12:50:30 -0400
Subject: [PATCH 1783/2654] add west const and enforce in clang format

---
 .clang-format                | 1 +
 include/openmc/state_point.h | 4 ++--
 2 files changed, 3 insertions(+), 2 deletions(-)

diff --git a/.clang-format b/.clang-format
index 153f0e4a3..74975cc3c 100644
--- a/.clang-format
+++ b/.clang-format
@@ -84,6 +84,7 @@ PenaltyBreakTemplateDeclaration: 10
 PenaltyExcessCharacter: 1000000
 PenaltyReturnTypeOnItsOwnLine: 200
 PointerAlignment: Left
+QualifierAlignment: Left
 ReflowComments:  true
 SortIncludes:    true
 SortUsingDeclarations: true
diff --git a/include/openmc/state_point.h b/include/openmc/state_point.h
index db1ac2edb..95524f6b6 100644
--- a/include/openmc/state_point.h
+++ b/include/openmc/state_point.h
@@ -34,12 +34,12 @@ void load_state_point();
 // can be created by calling calculate_parallel_index_vector on
 // source_bank.size() if such a vector is not already available.
 void write_source_point(const char* filename, gsl::span<SourceSite> source_bank,
-  vector<int64_t> const& bank_index);
+  const vector<int64_t>& bank_index);
 
 // This appends a source bank specification to an HDF5 file
 // that's already open. It is used internally by write_source_point.
 void write_source_bank(hid_t group_id, gsl::span<SourceSite> source_bank,
-  vector<int64_t> const& bank_index);
+  const vector<int64_t>& bank_index);
 
 void read_source_bank(
   hid_t group_id, vector<SourceSite>& sites, bool distribute);

From 62708ab3add4e1caa907ef76b8db4fbaa98eb839 Mon Sep 17 00:00:00 2001
From: Gavin Ridley <gavin.keith.ridley@gmail.com>
Date: Sat, 15 Apr 2023 13:01:01 -0400
Subject: [PATCH 1784/2654] PR comments addressed

---
 src/message_passing.cpp                  | 8 ++++----
 src/output.cpp                           | 6 ------
 tests/cpp_unit_tests/test_file_utils.cpp | 1 +
 3 files changed, 5 insertions(+), 10 deletions(-)

diff --git a/src/message_passing.cpp b/src/message_passing.cpp
index fa9036c71..7a43f78f4 100644
--- a/src/message_passing.cpp
+++ b/src/message_passing.cpp
@@ -24,14 +24,14 @@ vector<int64_t> calculate_parallel_index_vector(const int64_t size)
 
 #ifdef OPENMC_MPI
   result.resize(n_procs);
-  vector<int64_t> bank_size(n_procs);
+  result[0] = 0;
+  vector<int64_t> bank_size(n_procs + 1);
 
   // Populate the result with cumulative sum of the number of
   // surface source banks per process
   MPI_Scan(&size, bank_size.data(), 1, MPI_INT64_T, MPI_SUM, intracomm);
-  MPI_Allgather(
-    bank_size.data(), 1, MPI_INT64_T, result.data(), 1, MPI_INT64_T, intracomm);
-  result.insert(result.begin(), 0);
+  MPI_Allgather(bank_size.data() + 1, 1, MPI_INT64_T, result.data(), 1,
+    MPI_INT64_T, intracomm);
 #else
   result.push_back(0);
   result.push_back(size);
diff --git a/src/output.cpp b/src/output.cpp
index c280677a2..04e15b82d 100644
--- a/src/output.cpp
+++ b/src/output.cpp
@@ -390,12 +390,6 @@ void print_build_info()
 #ifdef COVERAGEBUILD
   coverage = y;
 #endif
-#ifdef NCRYSTAL
-  ncrystal = y;
-#endif
-#ifdef OPENMC_MCPL
-  mcpl = y;
-#endif
 
   // Wraps macro variables in quotes
 #define STRINGIFY(x) STRINGIFY2(x)
diff --git a/tests/cpp_unit_tests/test_file_utils.cpp b/tests/cpp_unit_tests/test_file_utils.cpp
index 23222f639..69d9b5a59 100644
--- a/tests/cpp_unit_tests/test_file_utils.cpp
+++ b/tests/cpp_unit_tests/test_file_utils.cpp
@@ -11,6 +11,7 @@ TEST_CASE("Test get_file_extension")
   REQUIRE(get_file_extension("has_directory/asdf.20.h5") == "h5");
   REQUIRE(get_file_extension("wasssssup_lol") == "");
   REQUIRE(get_file_extension("has_directory/secret_file") == "");
+  REQUIRE(get_file_extension("lovely.dir/extensionless_file") == "");
 }
 
 TEST_CASE("Test dir_exists")

From 6b20df9652827ec5603d5ccecf34c5db23fd5d50 Mon Sep 17 00:00:00 2001
From: christinacai123 <63215816+christinacai123@users.noreply.github.com>
Date: Sat, 15 Apr 2023 15:44:02 -0400
Subject: [PATCH 1785/2654] Apply suggestions from code review

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/weight_windows.py | 14 +++++++-------
 1 file changed, 7 insertions(+), 7 deletions(-)

diff --git a/openmc/weight_windows.py b/openmc/weight_windows.py
index c08e5b35a..29b92a7ab 100644
--- a/openmc/weight_windows.py
+++ b/openmc/weight_windows.py
@@ -1,7 +1,7 @@
 from __future__ import annotations
 from collections.abc import Iterable
 from numbers import Real, Integral
-from typing import Iterable, List, Optional, Union
+from typing import Iterable, List, Optional, Union, Dict
 import pathlib
 
 from xml.etree import ElementTree as ET
@@ -108,8 +108,8 @@ class WeightWindows(IDManagerMixin):
     def __init__(
         self, 
         mesh: MeshBase, 
-        lower_ww_bounds: np.ndarray,
-        upper_ww_bounds: Optional[np.ndarray] = None,
+        lower_ww_bounds: Iterable[float],
+        upper_ww_bounds: Optional[Iterable[float]] = None,
         upper_bound_ratio: Optional[float] = None,
         energy_bounds: Optional[Iterable[Real]] = None,
         particle_type: str = 'neutron',
@@ -219,7 +219,7 @@ class WeightWindows(IDManagerMixin):
         return self._energy_bounds
 
     @energy_bounds.setter
-    def energy_bounds(self, bounds: Iterable[Real]):
+    def energy_bounds(self, bounds: Iterable[float]):
         cv.check_type('Energy bounds', bounds, Iterable, Real)
         self._energy_bounds = np.asarray(bounds)
 
@@ -234,7 +234,7 @@ class WeightWindows(IDManagerMixin):
         return self._lower_ww_bounds
 
     @lower_ww_bounds.setter
-    def lower_ww_bounds(self, bounds: Iterable[Real]):
+    def lower_ww_bounds(self, bounds: Iterable[float]):
         cv.check_iterable_type('Lower WW bounds',
                                bounds,
                                Real,
@@ -253,7 +253,7 @@ class WeightWindows(IDManagerMixin):
         return self._upper_ww_bounds
 
     @upper_ww_bounds.setter
-    def upper_ww_bounds(self, bounds: Iterable[Real]):
+    def upper_ww_bounds(self, bounds: Iterable[float]):
         cv.check_iterable_type('Upper WW bounds',
                                bounds,
                                Real,
@@ -404,7 +404,7 @@ class WeightWindows(IDManagerMixin):
         )
 
     @classmethod
-    def from_hdf5(cls, group: h5py.Group, meshes: dict) -> WeightWindows:
+    def from_hdf5(cls, group: h5py.Group, meshes: Dict[int, MeshBase]) -> WeightWindows:
         """Create weight windows from HDF5 group
 
         Parameters

From b4b4ff79484740417c59249d148ac1e6d29be1f0 Mon Sep 17 00:00:00 2001
From: Christina Cai <chrsitinacai48933@gmail.com>
Date: Sat, 15 Apr 2023 15:49:16 -0400
Subject: [PATCH 1786/2654] added Pathlike to wwinp_to_wws

---
 openmc/weight_windows.py | 4 +++-
 1 file changed, 3 insertions(+), 1 deletion(-)

diff --git a/openmc/weight_windows.py b/openmc/weight_windows.py
index 29b92a7ab..fa384f7cc 100644
--- a/openmc/weight_windows.py
+++ b/openmc/weight_windows.py
@@ -1,6 +1,7 @@
 from __future__ import annotations
 from collections.abc import Iterable
 from numbers import Real, Integral
+import typing
 from typing import Iterable, List, Optional, Union, Dict
 import pathlib
 
@@ -11,6 +12,7 @@ import h5py
 from openmc.filter import _PARTICLES
 from openmc.mesh import MeshBase, RectilinearMesh, UnstructuredMesh
 import openmc.checkvalue as cv
+from openmc.checkvalue import PathLike
 
 from ._xml import get_text
 from .mixin import IDManagerMixin
@@ -449,7 +451,7 @@ class WeightWindows(IDManagerMixin):
         )
 
 
-def wwinp_to_wws(path: Union[str, pathlib.Path]) -> List[WeightWindows]:
+def wwinp_to_wws(path: PathLike) -> List[WeightWindows]:
     """Create WeightWindows instances from a wwinp file
 
     .. versionadded:: 0.13.1

From 55b4df553c43cc0d25645621cac6927ba2e287c7 Mon Sep 17 00:00:00 2001
From: christinacai123 <63215816+christinacai123@users.noreply.github.com>
Date: Sat, 15 Apr 2023 15:54:41 -0400
Subject: [PATCH 1787/2654] Apply suggestions from code review

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/model/model.py | 6 +++---
 1 file changed, 3 insertions(+), 3 deletions(-)

diff --git a/openmc/model/model.py b/openmc/model/model.py
index 1da6b3bf2..ba44777dd 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -8,7 +8,7 @@ from numbers import Integral
 from tempfile import NamedTemporaryFile
 import warnings
 from xml.etree import ElementTree as ET
-from typing import Optional
+from typing import Optional, Dict
 
 import h5py
 
@@ -141,7 +141,7 @@ class Model:
 
     @property
     @lru_cache(maxsize=None)
-    def _cells_by_name(self) -> dict:
+    def _cells_by_name(self) -> Dict[int, openmc.Cell]:
         # Get the names maps, but since names are not unique, store a set for
         # each name key. In this way when the user requests a change by a name,
         # the change will be applied to all of the same name.
@@ -154,7 +154,7 @@ class Model:
 
     @property
     @lru_cache(maxsize=None)
-    def _materials_by_name(self) -> dict:
+    def _materials_by_name(self) -> Dict[int, openmc.Material]:
         if self.materials is None:
             mats = self.geometry.get_all_materials().values()
         else:

From c9a64e6fe0941e8a4bdd25b03473e1f7715e5a21 Mon Sep 17 00:00:00 2001
From: christinacai123 <63215816+christinacai123@users.noreply.github.com>
Date: Sat, 15 Apr 2023 16:01:04 -0400
Subject: [PATCH 1788/2654] Apply suggestions from code review

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/geometry.py | 46 +++++++++++++++++++++++++++++-----------------
 1 file changed, 29 insertions(+), 17 deletions(-)

diff --git a/openmc/geometry.py b/openmc/geometry.py
index 88871c544..fae50520d 100644
--- a/openmc/geometry.py
+++ b/openmc/geometry.py
@@ -1,6 +1,6 @@
 from __future__ import annotations
 import os
-import typing 
+import typing
 from collections import OrderedDict, defaultdict
 from collections.abc import Iterable
 from copy import deepcopy
@@ -167,7 +167,7 @@ class Geometry:
         tree.write(str(p), xml_declaration=True, encoding='utf-8')
 
     @classmethod
-    def from_xml_element(cls, elem, materials=None) -> openmc.Geometry:
+    def from_xml_element(cls, elem, materials=None) -> Geometry:
         """Generate geometry from an XML element
 
         Parameters
@@ -263,7 +263,7 @@ class Geometry:
         cls,
         path: PathLike = 'geometry.xml',
         materials: typing.Optional[typing.Union[PathLike, 'openmc.Materials']] = 'materials.xml'
-    ) -> openmc.Geometry:
+    ) -> Geometry:
         """Generate geometry from XML file
 
         Parameters
@@ -357,7 +357,7 @@ class Geometry:
 
         return indices if return_list else indices[0]
 
-    def get_all_cells(self) -> OrderedDict:
+    def get_all_cells(self) -> typing.OrderedDict[int, openmc.Cell]:
         """Return all cells in the geometry.
 
         Returns
@@ -371,7 +371,7 @@ class Geometry:
         else:
             return OrderedDict()
 
-    def get_all_universes(self) -> OrderedDict:
+    def get_all_universes(self) -> typing.OrderedDict[int, openmc.Universe]:
         """Return all universes in the geometry.
 
         Returns
@@ -386,7 +386,7 @@ class Geometry:
         universes.update(self.root_universe.get_all_universes())
         return universes
 
-    def get_all_materials(self) -> OrderedDict:
+    def get_all_materials(self) -> typing.OrderedDict[int, openmc.Material]:
         """Return all materials within the geometry.
 
         Returns
@@ -401,7 +401,7 @@ class Geometry:
         else:
             return OrderedDict()
 
-    def get_all_material_cells(self) -> OrderedDict:
+    def get_all_material_cells(self) -> typing.OrderedDict[int, openmc.Cell]:
         """Return all cells filled by a material
 
         Returns
@@ -420,7 +420,7 @@ class Geometry:
 
         return material_cells
 
-    def get_all_material_universes(self) -> OrderedDict:
+    def get_all_material_universes(self) -> typing.OrderedDict[int, openmc.Universe]:
         """Return all universes having at least one material-filled cell.
 
         This method can be used to find universes that have at least one cell
@@ -443,7 +443,7 @@ class Geometry:
 
         return material_universes
 
-    def get_all_lattices(self) -> OrderedDict:
+    def get_all_lattices(self) -> typing.OrderedDict[int, openmc.Lattice]:
         """Return all lattices defined
 
         Returns
@@ -461,7 +461,7 @@ class Geometry:
 
         return lattices
 
-    def get_all_surfaces(self) -> OrderedDict:
+    def get_all_surfaces(self) -> typing.OrderedDict[int, openmc.Surface]:
         """
         Return all surfaces used in the geometry
 
@@ -495,7 +495,9 @@ class Geometry:
         domains.sort(key=lambda x: x.id)
         return domains
 
-    def get_materials_by_name(self, name, case_sensitive=False, matching=False) -> typing.List[openmc.Material]:
+    def get_materials_by_name(
+        self, name, case_sensitive=False, matching=False
+    ) -> typing.List[openmc.Material]:
         """Return a list of materials with matching names.
 
         Parameters
@@ -516,7 +518,9 @@ class Geometry:
         """
         return self._get_domains_by_name(name, case_sensitive, matching, 'material')
 
-    def get_cells_by_name(self, name, case_sensitive=False, matching=False) -> typing.List[openmc.Cell]:
+    def get_cells_by_name(
+        self, name, case_sensitive=False, matching=False
+    ) -> typing.List[openmc.Cell]:
         """Return a list of cells with matching names.
 
         Parameters
@@ -537,7 +541,9 @@ class Geometry:
         """
         return self._get_domains_by_name(name, case_sensitive, matching, 'cell')
 
-    def get_surfaces_by_name(self, name, case_sensitive=False, matching=False) -> typing.List[openmc.Surface]:
+    def get_surfaces_by_name(
+        self, name, case_sensitive=False, matching=False
+    ) -> typing.List[openmc.Surface]:
         """Return a list of surfaces with matching names.
 
         .. versionadded:: 0.13.3
@@ -560,7 +566,9 @@ class Geometry:
         """
         return self._get_domains_by_name(name, case_sensitive, matching, 'surface')
 
-    def get_cells_by_fill_name(self, name, case_sensitive=False, matching=False) -> typing.List[openmc.Cell]:
+    def get_cells_by_fill_name(
+        self, name, case_sensitive=False, matching=False
+    ) -> typing.List[openmc.Cell]:
         """Return a list of cells with fills with matching names.
 
         Parameters
@@ -605,7 +613,9 @@ class Geometry:
 
         return sorted(cells, key=lambda x: x.id)
 
-    def get_universes_by_name(self, name, case_sensitive=False, matching=False) -> typing.List[openmc.Universe]:
+    def get_universes_by_name(
+        self, name, case_sensitive=False, matching=False
+    ) -> typing.List[openmc.Universe]:
         """Return a list of universes with matching names.
 
         Parameters
@@ -626,7 +636,9 @@ class Geometry:
         """
         return self._get_domains_by_name(name, case_sensitive, matching, 'universe')
 
-    def get_lattices_by_name(self, name, case_sensitive=False, matching=False) -> typing.List[openmc.Lattice]:
+    def get_lattices_by_name(
+        self, name, case_sensitive=False, matching=False
+    ) -> typing.List[openmc.Lattice]:
         """Return a list of lattices with matching names.
 
         Parameters
@@ -647,7 +659,7 @@ class Geometry:
         """
         return self._get_domains_by_name(name, case_sensitive, matching, 'lattice')
 
-    def remove_redundant_surfaces(self) -> dict:
+    def remove_redundant_surfaces(self) -> typing.Dict[int, openmc.Surface]:
         """Remove and return all of the redundant surfaces.
 
         Uses surface_precision attribute of Geometry instance for rounding and

From 5658cd88b184df9340eceb1718932ec0198df951 Mon Sep 17 00:00:00 2001
From: Christina Cai <chrsitinacai48933@gmail.com>
Date: Sat, 15 Apr 2023 16:02:59 -0400
Subject: [PATCH 1789/2654] Added xml.etree to first block of imports

---
 openmc/geometry.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/geometry.py b/openmc/geometry.py
index fae50520d..275ca45dd 100644
--- a/openmc/geometry.py
+++ b/openmc/geometry.py
@@ -6,8 +6,8 @@ from collections.abc import Iterable
 from copy import deepcopy
 from pathlib import Path
 import warnings
-
 from xml.etree import ElementTree as ET
+
 import numpy as np
 
 import openmc

From 8819b5c1c456371852b08b1b8cd106de023d541a Mon Sep 17 00:00:00 2001
From: christinacai123 <63215816+christinacai123@users.noreply.github.com>
Date: Sat, 15 Apr 2023 16:12:38 -0400
Subject: [PATCH 1790/2654] Apply suggestions from code review

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/material.py | 24 ++++++++++++------------
 1 file changed, 12 insertions(+), 12 deletions(-)

diff --git a/openmc/material.py b/openmc/material.py
index 66a626668..fa088d7f0 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -7,7 +7,7 @@ from pathlib import Path
 import re
 import typing  # imported separately as py3.8 requires typing.Iterable
 import warnings
-from typing import Optional, List, Union
+from typing import Optional, List, Union, Dict
 from xml.etree import ElementTree as ET
 
 import h5py
@@ -175,7 +175,7 @@ class Material(IDManagerMixin):
         return self._temperature
 
     @property
-    def density(self) -> float:
+    def density(self) -> Optional[float]:
         return self._density
 
     @property
@@ -227,11 +227,11 @@ class Material(IDManagerMixin):
         return mass / moles
 
     @property
-    def volume(self) -> float:
+    def volume(self) -> Optional[float]:
         return self._volume
 
     @property
-    def ncrystal_cfg(self) -> str:
+    def ncrystal_cfg(self) -> Optional[str]:
         return self._ncrystal_cfg
 
     @name.setter
@@ -292,7 +292,7 @@ class Material(IDManagerMixin):
         return openmc.data.combine_distributions(dists, probs) if dists else None
 
     @classmethod
-    def from_hdf5(cls, group: h5py.Group) -> openmc.Material:
+    def from_hdf5(cls, group: h5py.Group) -> Material:
         """Create material from HDF5 group
 
         Parameters
@@ -347,7 +347,7 @@ class Material(IDManagerMixin):
         return material
 
     @classmethod
-    def from_ncrystal(cls, cfg, **kwargs) -> openmc.Material:
+    def from_ncrystal(cls, cfg, **kwargs) -> Material:
         """Create material from NCrystal configuration string.
 
         Density, temperature, and material composition, and (ultimately) thermal
@@ -926,7 +926,7 @@ class Material(IDManagerMixin):
 
         return matching_nuclides
 
-    def get_nuclide_densities(self) -> dict:
+    def get_nuclide_densities(self) -> Dict[str, tuple]:
         """Returns all nuclides in the material and their densities
 
         Returns
@@ -945,7 +945,7 @@ class Material(IDManagerMixin):
 
         return nuclides
 
-    def get_nuclide_atom_densities(self, nuclide: Optional[str] = None) -> dict:
+    def get_nuclide_atom_densities(self, nuclide: Optional[str] = None) -> Dict[str, float]:
         """Returns one or all nuclides in the material and their atomic
         densities in units of atom/b-cm
 
@@ -1031,7 +1031,7 @@ class Material(IDManagerMixin):
         return nuclides
 
     def get_activity(self, units: str = 'Bq/cm3', by_nuclide: bool = False,
-                     volume: Optional[float] = None) -> Union[dict, float]:
+                     volume: Optional[float] = None) -> Union[Dict[str, float], float]:
         """Returns the activity of the material or for each nuclide in the
         material in units of [Bq], [Bq/g] or [Bq/cm3].
 
@@ -1078,7 +1078,7 @@ class Material(IDManagerMixin):
         return activity if by_nuclide else sum(activity.values())
 
     def get_decay_heat(self, units: str = 'W', by_nuclide: bool = False,
-                       volume: Optional[float] = None) -> Union[dict, float]:
+                       volume: Optional[float] = None) -> Union[Dict[str, float], float]:
         """Returns the decay heat of the material or for each nuclide in the
         material in units of [W], [W/g] or [W/cm3].
 
@@ -1126,7 +1126,7 @@ class Material(IDManagerMixin):
 
         return decayheat if by_nuclide else sum(decayheat.values())
 
-    def get_nuclide_atoms(self, volume: Optional[float] = None) -> dict:
+    def get_nuclide_atoms(self, volume: Optional[float] = None) -> Dict[str, float]:
         """Return number of atoms of each nuclide in the material
 
         .. versionadded:: 0.13.1
@@ -1531,7 +1531,7 @@ class Materials(cv.CheckedList):
             self += materials
 
     @property
-    def cross_sections(self) -> Optional[Union[str, Path]]:
+    def cross_sections(self) -> Optional[Path]:
         return self._cross_sections
 
     @cross_sections.setter

From 4c7876beb90692989966126c46c1c0c7635d201d Mon Sep 17 00:00:00 2001
From: Gavin Ridley <gavin.keith.ridley@gmail.com>
Date: Sat, 15 Apr 2023 22:26:34 -0400
Subject: [PATCH 1791/2654] allow directories containing periods in file
 extension grabber

---
 src/file_utils.cpp                       | 17 +++++++++++++++--
 tests/cpp_unit_tests/test_file_utils.cpp |  5 ++++-
 2 files changed, 19 insertions(+), 3 deletions(-)

diff --git a/src/file_utils.cpp b/src/file_utils.cpp
index 15b30e3b6..8a078fe18 100644
--- a/src/file_utils.cpp
+++ b/src/file_utils.cpp
@@ -28,11 +28,24 @@ bool file_exists(const std::string& filename)
 
 std::string get_file_extension(const std::string& filename)
 {
+  // try our best to work on windows...
+#if defined(_WIN32) || defined(_WIN64)
+  const char sep_char = '\\';
+#else
+  const char sep_char = '/';
+#endif
+
   // check that at least one letter is present
   const auto last_period_pos = filename.find_last_of('.');
+  const auto last_sep_pos = filename.find_last_of(sep_char);
 
-  // no file extension
-  if (last_period_pos == std::string::npos)
+  // no file extension. In the first case, we are only given
+  // a file name. In the second, we have been given a file path.
+  // If that's the case, periods are allowed in directory names,
+  // but have the interpretation as preceding a file extension
+  // after the last separator.
+  if (last_period_pos == std::string::npos ||
+      (last_sep_pos < std::string::npos && last_period_pos < last_sep_pos))
     return "";
 
   const std::string ending = filename.substr(last_period_pos + 1);
diff --git a/tests/cpp_unit_tests/test_file_utils.cpp b/tests/cpp_unit_tests/test_file_utils.cpp
index 69d9b5a59..3b7a74346 100644
--- a/tests/cpp_unit_tests/test_file_utils.cpp
+++ b/tests/cpp_unit_tests/test_file_utils.cpp
@@ -12,6 +12,8 @@ TEST_CASE("Test get_file_extension")
   REQUIRE(get_file_extension("wasssssup_lol") == "");
   REQUIRE(get_file_extension("has_directory/secret_file") == "");
   REQUIRE(get_file_extension("lovely.dir/extensionless_file") == "");
+  REQUIRE(get_file_extension("lovely.dir/statepoint.20.h5") == "h5");
+  REQUIRE(get_file_extension("lovely.dir/asdf123.cpp") == "cpp");
 }
 
 TEST_CASE("Test dir_exists")
@@ -25,5 +27,6 @@ TEST_CASE("Test dir_exists")
 
 TEST_CASE("Test file_exists")
 {
-  // TODO make a file test it exists, delete it
+  // Note: not clear how to portably test where a file should exist.
+  REQUIRE(!file_exists("./should_not_exist/really_do_not_make_this_please"));
 }

From 30e2bfb2f97d8afff83347be2059d01c49fa9d43 Mon Sep 17 00:00:00 2001
From: Gavin Ridley <gavin.keith.ridley@gmail.com>
Date: Sat, 15 Apr 2023 22:31:53 -0400
Subject: [PATCH 1792/2654] warn people rather than fatal error if specifying a
 weird file extension

---
 src/state_point.cpp | 8 ++++----
 1 file changed, 4 insertions(+), 4 deletions(-)

diff --git a/src/state_point.cpp b/src/state_point.cpp
index 10bcd9365..a1aa05efb 100644
--- a/src/state_point.cpp
+++ b/src/state_point.cpp
@@ -54,8 +54,8 @@ extern "C" int openmc_statepoint_write(const char* filename, bool* write_source)
   if (extension == "") {
     filename_.append(".h5");
   } else if (extension != "h5") {
-    fatal_error("openmc_statepoint_write was passed an incorrect file "
-                "extension. Must either have no file extension or .h5");
+    warning("openmc_statepoint_write was passed a file extension differing "
+            "from .h5, but an hdf5 file will be written.");
   }
 
   // Determine whether or not to write the source bank
@@ -553,7 +553,7 @@ hid_t h5banktype()
 }
 
 void write_source_point(const char* filename, gsl::span<SourceSite> source_bank,
-  vector<int64_t> const& bank_index)
+  const vector<int64_t>& bank_index)
 {
   // When using parallel HDF5, the file is written to collectively by all
   // processes. With MPI-only, the file is opened and written by the master
@@ -591,7 +591,7 @@ void write_source_point(const char* filename, gsl::span<SourceSite> source_bank,
 }
 
 void write_source_bank(hid_t group_id, gsl::span<SourceSite> source_bank,
-  vector<int64_t> const& bank_index)
+  const vector<int64_t>& bank_index)
 {
   hid_t banktype = h5banktype();
 

From 355b6f4e88b318d653ddba580110bae16b419ad4 Mon Sep 17 00:00:00 2001
From: Gavin Ridley <gavin.keith.ridley@gmail.com>
Date: Sat, 15 Apr 2023 22:34:45 -0400
Subject: [PATCH 1793/2654] const int by value is kinda pointless

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 include/openmc/message_passing.h | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/include/openmc/message_passing.h b/include/openmc/message_passing.h
index abd6f68b0..a1641a906 100644
--- a/include/openmc/message_passing.h
+++ b/include/openmc/message_passing.h
@@ -31,7 +31,7 @@ extern MPI_Comm intracomm;
 // and returns a vector which is the exclusive parallel scan across
 // all of those numbers, having a length of the number of MPI ranks
 // plus one.
-vector<int64_t> calculate_parallel_index_vector(const int64_t size);
+vector<int64_t> calculate_parallel_index_vector(int64_t size);
 
 } // namespace mpi
 } // namespace openmc

From b52e1f106cae71c884ec3f0200dd56ccdd8f53e6 Mon Sep 17 00:00:00 2001
From: Gavin Ridley <gavin.keith.ridley@gmail.com>
Date: Sat, 15 Apr 2023 22:35:14 -0400
Subject: [PATCH 1794/2654] const int by value is pointless

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 src/message_passing.cpp | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/src/message_passing.cpp b/src/message_passing.cpp
index 7a43f78f4..1630e52c0 100644
--- a/src/message_passing.cpp
+++ b/src/message_passing.cpp
@@ -17,7 +17,7 @@ extern "C" bool openmc_master()
   return mpi::master;
 }
 
-vector<int64_t> calculate_parallel_index_vector(const int64_t size)
+vector<int64_t> calculate_parallel_index_vector(int64_t size)
 {
   vector<int64_t> result;
   result.reserve(n_procs + 1);

From 5ba3569b3abf67ebeb5b9cd11ee43c42527ca4eb Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Mon, 17 Apr 2023 06:37:39 -0500
Subject: [PATCH 1795/2654] Install vectfit in CI with no-build-isolation

---
 tools/ci/gha-install-vectfit.sh | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/tools/ci/gha-install-vectfit.sh b/tools/ci/gha-install-vectfit.sh
index 5884c6fac..48c59e5aa 100755
--- a/tools/ci/gha-install-vectfit.sh
+++ b/tools/ci/gha-install-vectfit.sh
@@ -42,4 +42,4 @@ cd xtensor-blas && mkdir build && cd build && cmake .. && sudo make install
 # Install vectfit
 cd $HOME
 git clone https://github.com/liangjg/vectfit.git
-pip install ./vectfit
+pip install --no-build-isolation ./vectfit

From 36a54c896af52fd25d7e2c6ebb736b13ce496086 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Mon, 17 Apr 2023 06:59:40 -0500
Subject: [PATCH 1796/2654] Install wheel for vectfit

---
 tools/ci/gha-install-vectfit.sh | 3 +++
 1 file changed, 3 insertions(+)

diff --git a/tools/ci/gha-install-vectfit.sh b/tools/ci/gha-install-vectfit.sh
index 48c59e5aa..8444c3036 100755
--- a/tools/ci/gha-install-vectfit.sh
+++ b/tools/ci/gha-install-vectfit.sh
@@ -39,6 +39,9 @@ cd $HOME
 git clone -b $XTENSOR_BLAS_BRANCH $XTENSOR_BLAS_REPO
 cd xtensor-blas && mkdir build && cd build && cmake .. && sudo make install
 
+# Install wheel (remove when vectfit supports installation with build isolation)
+pip install wheel
+
 # Install vectfit
 cd $HOME
 git clone https://github.com/liangjg/vectfit.git

From 95a07b8085c20b91f647af2ee3a96f74069708de Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Mon, 17 Apr 2023 15:13:56 +0100
Subject: [PATCH 1797/2654] adding optional outline to plots

---
 openmc/universe.py | 18 +++++++++++++++++-
 1 file changed, 17 insertions(+), 1 deletion(-)

diff --git a/openmc/universe.py b/openmc/universe.py
index 2ed96f4bc..3743245b2 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -295,7 +295,7 @@ class Universe(UniverseBase):
 
     def plot(self, origin=(0., 0., 0.), width=(1., 1.), pixels=(200, 200),
              basis='xy', color_by='cell', colors=None, seed=None,
-             openmc_exec='openmc', axes=None, **kwargs):
+             openmc_exec='openmc', axes=None, outline=False, **kwargs):
         """Display a slice plot of the universe.
 
         Parameters
@@ -332,6 +332,10 @@ class Universe(UniverseBase):
         **kwargs
             Keyword arguments passed to :func:`matplotlib.pyplot.imshow`
 
+            .. versionadded:: 0.13.4
+        outline : bool
+            Whether outlines between color boundaries should be drawn
+
         Returns
         -------
         matplotlib.image.AxesImage
@@ -396,6 +400,18 @@ class Universe(UniverseBase):
                 height = pixels[0]*px/(params.top - params.bottom)
                 fig.set_size_inches(width, height)
 
+            if outline:
+                combined_rgb = np.sum(img, 2)
+
+                axes.contour(
+                    combined_rgb.reshape(img.shape[0], img.shape[1]),
+                    origin="upper",
+                    colors="k",
+                    linestyles="solid",
+                    linewidths=1,
+                    extent=(x_min, x_max, y_min, y_max),
+                )
+
             # Plot image and return the axes
             return axes.imshow(img, extent=(x_min, x_max, y_min, y_max), **kwargs)
 

From 3880d1cec86f12b8289a7f67c1ef3b8364777e43 Mon Sep 17 00:00:00 2001
From: Gavin Ridley <gavin.keith.ridley@gmail.com>
Date: Mon, 17 Apr 2023 12:14:52 -0400
Subject: [PATCH 1798/2654] line length suggestion

Co-authored-by: Jonathan Shimwell <drshimwell@gmail.com>
---
 openmc/universe.py | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/openmc/universe.py b/openmc/universe.py
index a7f9e3d6e..32768c305 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -404,8 +404,8 @@ class Universe(UniverseBase):
             # or cell if that was requested
             if legend:
                 if plot.colors is None:
-                    raise Exception("Must set plot color dictionary if you would"
-                                    " like to have an automatic legend.")
+                    raise Exception("Must set plot color dictionary if you "
+                                    "would like to have an automatic legend.")
 
                 if color_by == "cell":
                     expected_key_type = openmc.Cell

From e4c332360175b66c8261c9d41643913cb9958e65 Mon Sep 17 00:00:00 2001
From: Gavin Ridley <gavin.keith.ridley@gmail.com>
Date: Mon, 17 Apr 2023 12:15:29 -0400
Subject: [PATCH 1799/2654] remove unnecessary error checking

Co-authored-by: Jonathan Shimwell <drshimwell@gmail.com>
---
 openmc/universe.py | 4 +---
 1 file changed, 1 insertion(+), 3 deletions(-)

diff --git a/openmc/universe.py b/openmc/universe.py
index 32768c305..a4efb5f73 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -409,10 +409,8 @@ class Universe(UniverseBase):
 
                 if color_by == "cell":
                     expected_key_type = openmc.Cell
-                elif color_by == "material":
-                    expected_key_type = openmc.Material
                 else:
-                    raise Exception("wtf?")
+                    expected_key_type = openmc.Material
 
                 patches = []
                 for key, color in plot.colors.items():

From f65de85f9fba7e63e8c4db12157e0fa3f89f2d3d Mon Sep 17 00:00:00 2001
From: Gavin Ridley <gavin.keith.ridley@gmail.com>
Date: Mon, 17 Apr 2023 12:17:09 -0400
Subject: [PATCH 1800/2654] add versionadded for legend kwarg

Co-authored-by: Jonathan Shimwell <drshimwell@gmail.com>
---
 openmc/universe.py | 5 +++--
 1 file changed, 3 insertions(+), 2 deletions(-)

diff --git a/openmc/universe.py b/openmc/universe.py
index a4efb5f73..ed693b84a 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -330,11 +330,12 @@ class Universe(UniverseBase):
             Axes to draw to
 
             .. versionadded:: 0.13.1
-        legend : bool
-            whether a legend showing material or cell names should be drawn
         **kwargs
             Keyword arguments passed to :func:`matplotlib.pyplot.imshow`
 
+            .. versionadded:: 0.13.4
+        legend : bool
+            Whether a legend showing material or cell names should be drawn
         Returns
         -------
         matplotlib.image.AxesImage

From ad33834e0f659f90efe3ae1154b30a254b61ecf4 Mon Sep 17 00:00:00 2001
From: Gavin Ridley <gavin.keith.ridley@gmail.com>
Date: Mon, 17 Apr 2023 12:18:03 -0400
Subject: [PATCH 1801/2654] default to legend label using ID if no name given

Co-authored-by: Jonathan Shimwell <drshimwell@gmail.com>
---
 openmc/universe.py | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/openmc/universe.py b/openmc/universe.py
index ed693b84a..ec9507531 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -424,7 +424,8 @@ class Universe(UniverseBase):
                             "Color dict key type does not match color_by")
 
                     # this works whether we're doing cells or materials
-                    key_patch = mpatches.Patch(color=color, label=key.name)
+                    label = key.name if key.name != '' else key.id
+                    key_patch = mpatches.Patch(color=color, label=label)
                     patches.append(key_patch)
 
                 axes.legend(handles=patches, bbox_to_anchor=(1.05, 1), loc=2, borderaxespad=0.0)

From f08510119c5a6cc6d9333e5153983dfdffe662ea Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Tue, 18 Apr 2023 00:38:33 -0500
Subject: [PATCH 1802/2654] Applying code formatter

---
 src/tallies/trigger.cpp | 13 +++++++++----
 1 file changed, 9 insertions(+), 4 deletions(-)

diff --git a/src/tallies/trigger.cpp b/src/tallies/trigger.cpp
index 590a54773..87f298baa 100644
--- a/src/tallies/trigger.cpp
+++ b/src/tallies/trigger.cpp
@@ -39,7 +39,8 @@ std::pair<double, double> get_tally_uncertainty(
   auto mean = sum / n;
 
   // if the result has no contributions, return an invalid pair
-  if (mean == 0) return {-1 , -1};
+  if (mean == 0)
+    return {-1, -1};
 
   double std_dev = std::sqrt((sum_sq / n - mean * mean) / (n - 1));
   double rel_err = (mean != 0.) ? std_dev / std::abs(mean) : 0.;
@@ -193,8 +194,10 @@ void check_triggers()
       keff_ratio);
   } else {
     if (tally_ratio == INFINITY) {
-      msg = fmt::format("Triggers unsatisfied, no result tallied for score {} in tally {}", reaction_name(score), tally_id);
-    } else{
+      msg = fmt::format(
+        "Triggers unsatisfied, no result tallied for score {} in tally {}",
+        reaction_name(score), tally_id);
+    } else {
       msg = fmt::format(
         "Triggers unsatisfied, max unc./thresh. is {} for {} in tally {}",
         tally_ratio, reaction_name(score), tally_id);
@@ -212,7 +215,9 @@ void check_triggers()
                           settings::n_inactive + 1;
 
     if (max_ratio == INFINITY) {
-      std::string msg = fmt::format("One or more tallies with triggers have no scores. Unable to estimate the number of remaining batches.");
+      std::string msg =
+        fmt::format("One or more tallies with triggers have no scores. Unable "
+                    "to estimate the number of remaining batches.");
       write_message(msg, 7);
     } else {
       std::string msg =

From ffaea6187404ede60f5c62d70ae387533e942c85 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Tue, 18 Apr 2023 15:10:49 +0100
Subject: [PATCH 1803/2654] converting rgb to int

---
 openmc/universe.py | 19 ++++++++++++++++---
 1 file changed, 16 insertions(+), 3 deletions(-)

diff --git a/openmc/universe.py b/openmc/universe.py
index 3743245b2..6863511f8 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -1,3 +1,4 @@
+import typing
 from abc import ABC, abstractmethod
 from collections import OrderedDict
 from collections.abc import Iterable
@@ -20,6 +21,14 @@ from .plots import _SVG_COLORS
 from .surface import _BOUNDARY_TYPES
 
 
+def get_int_from_rgb(rgb: typing.Tuple[int, int, int]) -> int:
+    """Converts a tuple of ints into a single int"""
+    red = rgb[0]
+    green = rgb[1]
+    blue = rgb[2]
+    return (red << 16) + (green << 8) + blue
+
+
 class UniverseBase(ABC, IDManagerMixin):
     """A collection of cells that can be repeated.
 
@@ -401,10 +410,14 @@ class Universe(UniverseBase):
                 fig.set_size_inches(width, height)
 
             if outline:
-                combined_rgb = np.sum(img, 2)
+
+                image_value = [
+                    [get_int_from_rgb(inner_entry) for inner_entry in outer_entry]
+                    for outer_entry in img
+                ]
 
                 axes.contour(
-                    combined_rgb.reshape(img.shape[0], img.shape[1]),
+                    image_value, #combined_rgb.reshape(img.shape[0], img.shape[1]),
                     origin="upper",
                     colors="k",
                     linestyles="solid",
@@ -988,4 +1001,4 @@ class DAGMCUniverse(UniverseBase):
         clone.volume = self.volume
         clone.auto_geom_ids = self.auto_geom_ids
         clone.auto_mat_ids = self.auto_mat_ids
-        return clone
\ No newline at end of file
+        return clone

From f1ce0913b3045c132cf9a92f5270c8644d1c6e17 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <drshimwell@gmail.com>
Date: Tue, 18 Apr 2023 15:37:07 +0100
Subject: [PATCH 1804/2654] remove comment

---
 openmc/universe.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/universe.py b/openmc/universe.py
index 6863511f8..3ad17778e 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -417,7 +417,7 @@ class Universe(UniverseBase):
                 ]
 
                 axes.contour(
-                    image_value, #combined_rgb.reshape(img.shape[0], img.shape[1]),
+                    image_value,
                     origin="upper",
                     colors="k",
                     linestyles="solid",

From 8606e07a6770fd18c86492e86a48c0319abb21f1 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Tue, 18 Apr 2023 16:18:03 +0100
Subject: [PATCH 1805/2654] added plot axis labels

---
 openmc/universe.py | 5 +++++
 1 file changed, 5 insertions(+)

diff --git a/openmc/universe.py b/openmc/universe.py
index 2ed96f4bc..c98b8ea4e 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -344,10 +344,13 @@ class Universe(UniverseBase):
         # Determine extents of plot
         if basis == 'xy':
             x, y = 0, 1
+            xlabel, ylabel = 'x [cm]', 'y [cm]'
         elif basis == 'yz':
             x, y = 1, 2
+            xlabel, ylabel = 'y [cm]', 'z [cm]'
         elif basis == 'xz':
             x, y = 0, 2
+            xlabel, ylabel = 'x [cm]', 'z [cm]'
         x_min = origin[x] - 0.5*width[0]
         x_max = origin[x] + 0.5*width[0]
         y_min = origin[y] - 0.5*width[1]
@@ -391,6 +394,8 @@ class Universe(UniverseBase):
             if axes is None:
                 px = 1/plt.rcParams['figure.dpi']
                 fig, axes = plt.subplots()
+                axes.set_xlabel(xlabel)
+                axes.set_ylabel(ylabel)
                 params = fig.subplotpars
                 width = pixels[0]*px/(params.right - params.left)
                 height = pixels[0]*px/(params.top - params.bottom)

From a02d583ac18925927e02b831efba0b2fcf96ffae Mon Sep 17 00:00:00 2001
From: Gavin Ridley <gavin.keith.ridley@gmail.com>
Date: Tue, 18 Apr 2023 11:24:20 -0400
Subject: [PATCH 1806/2654] review comments addressed

---
 openmc/universe.py | 32 ++++++++++++++++++++++++--------
 1 file changed, 24 insertions(+), 8 deletions(-)

diff --git a/openmc/universe.py b/openmc/universe.py
index ec9507531..b85d36895 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -6,6 +6,7 @@ from numbers import Integral, Real
 from pathlib import Path
 from tempfile import TemporaryDirectory
 from xml.etree import ElementTree as ET
+from warnings import warn
 
 import h5py
 import numpy as np
@@ -294,9 +295,15 @@ class Universe(UniverseBase):
                     return [self, cell] + cell.fill.find(p)
         return []
 
+    # default kwargs that are passed to plt.legend in the plot method below.
+    # If you change this, be sure to change it in the docstring for plot below.
+    _default_legend_kwargs = {'bbox_to_anchor': (
+        1.05, 1), 'loc': 2, 'borderaxespad': 0.0}
+
     def plot(self, origin=(0., 0., 0.), width=(1., 1.), pixels=(200, 200),
              basis='xy', color_by='cell', colors=None, seed=None,
-             openmc_exec='openmc', axes=None, legend=False, **kwargs):
+             openmc_exec='openmc', axes=None, legend=False,
+             legend_kwargs=_default_legend_kwargs, **kwargs):
         """Display a slice plot of the universe.
 
         Parameters
@@ -330,12 +337,21 @@ class Universe(UniverseBase):
             Axes to draw to
 
             .. versionadded:: 0.13.1
+        legend : bool
+            Whether a legend showing material or cell names should be drawn
+
+            .. versionadded:: 0.13.4
+        legend_kwargs : dict
+            Keyword arguments passed to :func:`matplotlib.pyplot.legend`.
+            The default is:
+
+            {'bbox_to_anchor': (1.05, 1), 'loc':2, 'borderaxespad': 0.0}
+
+            .. versionadded:: 0.13.4
         **kwargs
             Keyword arguments passed to :func:`matplotlib.pyplot.imshow`
 
             .. versionadded:: 0.13.4
-        legend : bool
-            Whether a legend showing material or cell names should be drawn
         Returns
         -------
         matplotlib.image.AxesImage
@@ -405,8 +421,8 @@ class Universe(UniverseBase):
             # or cell if that was requested
             if legend:
                 if plot.colors is None:
-                    raise Exception("Must set plot color dictionary if you "
-                                    "would like to have an automatic legend.")
+                    raise ValueError("Must pass 'colors' dictionary if you "
+                                     "are adding a legend via legend=True.")
 
                 if color_by == "cell":
                     expected_key_type = openmc.Cell
@@ -417,10 +433,10 @@ class Universe(UniverseBase):
                 for key, color in plot.colors.items():
 
                     if isinstance(key, int):
-                        raise Exception(
+                        raise TypeError(
                             "Cannot use IDs in colors dict for auto legend.")
                     elif not isinstance(key, expected_key_type):
-                        raise Exception(
+                        raise TypeError(
                             "Color dict key type does not match color_by")
 
                     # this works whether we're doing cells or materials
@@ -428,7 +444,7 @@ class Universe(UniverseBase):
                     key_patch = mpatches.Patch(color=color, label=label)
                     patches.append(key_patch)
 
-                axes.legend(handles=patches, bbox_to_anchor=(1.05, 1), loc=2, borderaxespad=0.0)
+                axes.legend(handles=patches, **legend_kwargs)
 
             # Plot image and return the axes
             return axes.imshow(img, extent=(x_min, x_max, y_min, y_max), **kwargs)

From f8abaf687af6670387af539f9f22e6aebdec085c Mon Sep 17 00:00:00 2001
From: christinacai123 <63215816+christinacai123@users.noreply.github.com>
Date: Tue, 18 Apr 2023 13:45:51 -0400
Subject: [PATCH 1807/2654] Apply suggestions from code review

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/weight_windows.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/weight_windows.py b/openmc/weight_windows.py
index fa384f7cc..2993db089 100644
--- a/openmc/weight_windows.py
+++ b/openmc/weight_windows.py
@@ -1,9 +1,9 @@
 from __future__ import annotations
 from collections.abc import Iterable
 from numbers import Real, Integral
+import pathlib
 import typing
 from typing import Iterable, List, Optional, Union, Dict
-import pathlib
 
 from xml.etree import ElementTree as ET
 import numpy as np

From 0280631fe7ee1e6b6ad5f85c8f0f44b51d3ff331 Mon Sep 17 00:00:00 2001
From: christinacai123 <63215816+christinacai123@users.noreply.github.com>
Date: Tue, 18 Apr 2023 13:46:33 -0400
Subject: [PATCH 1808/2654] Apply suggestions from code review

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/model/model.py | 1 -
 1 file changed, 1 deletion(-)

diff --git a/openmc/model/model.py b/openmc/model/model.py
index ba44777dd..933e1172e 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -606,7 +606,6 @@ class Model:
         this method creates the XML files and runs OpenMC via a system call. In
         both cases this method returns the path to the last statepoint file
         generated.
-        
         .. versionchanged:: 0.12
             Instead of returning the final k-effective value, this function now
             returns the path to the final statepoint written.

From 293f02d9912e9d67d91e5ef17d2f968a32350a5c Mon Sep 17 00:00:00 2001
From: christinacai123 <63215816+christinacai123@users.noreply.github.com>
Date: Tue, 18 Apr 2023 13:46:57 -0400
Subject: [PATCH 1809/2654] Apply suggestions from code review

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/geometry.py | 1 -
 1 file changed, 1 deletion(-)

diff --git a/openmc/geometry.py b/openmc/geometry.py
index 275ca45dd..01c0b2714 100644
--- a/openmc/geometry.py
+++ b/openmc/geometry.py
@@ -3,7 +3,6 @@ import os
 import typing
 from collections import OrderedDict, defaultdict
 from collections.abc import Iterable
-from copy import deepcopy
 from pathlib import Path
 import warnings
 from xml.etree import ElementTree as ET

From dd9f03abd22ec6eb0d946290836445dca31cbdc0 Mon Sep 17 00:00:00 2001
From: Christina Cai <chrsitinacai48933@gmail.com>
Date: Tue, 18 Apr 2023 13:49:36 -0400
Subject: [PATCH 1810/2654] trivial change for CI

---
 openmc/material.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/material.py b/openmc/material.py
index 66a626668..dc2ab0f8b 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -10,8 +10,8 @@ import warnings
 from typing import Optional, List, Union
 from xml.etree import ElementTree as ET
 
-import h5py
 import numpy as np
+import h5py
 
 import openmc
 import openmc.data

From 2ff6c0408e863363be6fc1bb96774e804913f784 Mon Sep 17 00:00:00 2001
From: Gavin Ridley <gavin.keith.ridley@gmail.com>
Date: Tue, 18 Apr 2023 17:24:36 -0400
Subject: [PATCH 1811/2654] remove unnecessary comment

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 src/state_point.cpp | 20 --------------------
 1 file changed, 20 deletions(-)

diff --git a/src/state_point.cpp b/src/state_point.cpp
index a1aa05efb..b9f805ffe 100644
--- a/src/state_point.cpp
+++ b/src/state_point.cpp
@@ -596,26 +596,6 @@ void write_source_bank(hid_t group_id, gsl::span<SourceSite> source_bank,
   hid_t banktype = h5banktype();
 
   // Set total and individual process dataspace sizes for source bank
-  // TODO: are these correct?
-  // the old code was
-  //
-  // int64_t dims_size = settings::n_particles;
-  // int64_t count_size = simulation::work_per_rank;
-  //
-  // but that doesn't make sense! The count on a rank is not
-  // necessarily equal to work_per_rank. For the case of the
-  // fission source bank, that's true, but for surface source
-  // creation, there may be a different number of particles
-  // on each rank.
-  //
-  // Hence, I have changed count_size to be the number
-  // on this rank rather than work_per_rank. Similarly,
-  // dims_size used to be n_particles, but for surface sources,
-  // we are not guaranteed to create n_particles at the surface.
-  // As a result, I've changed this to be the total size of
-  // the bank across all ranks, which maintains the correct
-  // behavior for fission bank outputs.
-
   int64_t dims_size = bank_index.back();
   int64_t count_size = bank_index[mpi::rank + 1] - bank_index[mpi::rank];
 

From c22448061a030e26cc5261960781415c1650d6d3 Mon Sep 17 00:00:00 2001
From: Gavin Ridley <gavin.keith.ridley@gmail.com>
Date: Tue, 18 Apr 2023 17:27:16 -0400
Subject: [PATCH 1812/2654] warn when passing incorrect file extension to
 source point write

---
 src/state_point.cpp | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/src/state_point.cpp b/src/state_point.cpp
index b9f805ffe..eefce8fa4 100644
--- a/src/state_point.cpp
+++ b/src/state_point.cpp
@@ -573,8 +573,8 @@ void write_source_point(const char* filename, gsl::span<SourceSite> source_bank,
   if (extension == "") {
     filename_.append(".h5");
   } else if (extension != "h5") {
-    fatal_error("openmc_source_point was passed an incorrect file "
-                "extension. Must either have no file extension or .h5");
+    warning("write_source_point was passed a file extension differing "
+            "from .h5, but an hdf5 file will be written.");
   }
 
   hid_t file_id;

From b5d30ff553d2d5379635cee04bb21d70653d6f2e Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 18 Apr 2023 22:04:46 -0500
Subject: [PATCH 1813/2654] Refactor BoundingBox implementation

---
 docs/source/pythonapi/base.rst        |  1 +
 openmc/bounding_box.py                | 67 +++++++++++++-------------
 openmc/cell.py                        |  6 ++-
 openmc/geometry.py                    |  2 +-
 openmc/lib/cell.py                    |  4 +-
 openmc/region.py                      | 10 ++--
 openmc/surface.py                     | 68 +++++++++++++--------------
 openmc/universe.py                    |  6 +--
 tests/unit_tests/test_bounding_box.py | 36 +++++---------
 9 files changed, 96 insertions(+), 104 deletions(-)

diff --git a/docs/source/pythonapi/base.rst b/docs/source/pythonapi/base.rst
index 72d2534ea..d379fb4bb 100644
--- a/docs/source/pythonapi/base.rst
+++ b/docs/source/pythonapi/base.rst
@@ -87,6 +87,7 @@ Building geometry
    openmc.Intersection
    openmc.Union
    openmc.Complement
+   openmc.BoundingBox
    openmc.Cell
    openmc.Universe
    openmc.DAGMCUniverse
diff --git a/openmc/bounding_box.py b/openmc/bounding_box.py
index e297cc225..a4a695b99 100644
--- a/openmc/bounding_box.py
+++ b/openmc/bounding_box.py
@@ -1,54 +1,57 @@
+from typing import Iterable
+
 import numpy as np
-from .checkvalue import check_type, check_length
+
+from .checkvalue import check_length
 
 
 class BoundingBox(tuple):
     """Axis-aligned bounding box.
 
+    .. versionadded:: 0.13.4
+
     Parameters
     ----------
-    corners : 2-tuple of numpy.array
-        Lower-left and upper-right coordinates of an axis-aligned bounding box
-        of the domain.
+    lower_left : iterable of float
+        The x, y, z coordinates of the lower left corner of the bounding box in [cm]
+    upper_right : iterable of float
+        The x, y, z coordinates of the upper right corner of the bounding box in [cm]
 
     Attributes
     ----------
-    center: numpy.array
-        x, y, z coordinates of the center of the bounding box in cm.
-    lower_left: numpy.array
-        The x, y, z coordinates of the lower left corner of the bounding box
-    upper_right
-        The x, y, z coordinates of the upper right corner of the bounding box
-    volume: float
-        The volume of the bounding box in cm3
+    center : numpy.ndarray
+        x, y, z coordinates of the center of the bounding box in [cm].
+    lower_left : numpy.ndarray
+        The x, y, z coordinates of the lower left corner of the bounding box in [cm]
+    upper_right : numpy.ndarray
+        The x, y, z coordinates of the upper right corner of the bounding box in [cm]
+    volume : float
+        The volume of the bounding box in [cm^3]
     """
 
-    def __init__(self, corners):
+    def __new__(cls, lower_left: Iterable[float], upper_right: Iterable[float]):
+        check_length("lower_left", lower_left, 3, 3)
+        check_length("upper_right", upper_right, 3, 3)
+        lower_left = np.array(lower_left, dtype=float)
+        upper_right = np.array(upper_right, dtype=float)
+        return tuple.__new__(cls, (lower_left, upper_right))
 
-        check_type("corners", corners, tuple)
-        check_type("corners", corners[0], np.ndarray)
-        check_type("corners", corners[1], np.ndarray)
-        check_length("corners", corners, 2, 2)
-        check_length("corners", corners[0], 3, 3)
-        check_length("corners", corners[1], 3, 3)
-        self.corners = corners
+    def __repr__(self) -> str:
+        return "BoundingBox(lower_left={}, upper_right={})".format(
+            tuple(self.lower_left), tuple(self.upper_right))
 
     @property
-    def center(self):
-        """The center x, y, z coordinates of the bounding box"""
-        return (self.corners[0] + self.corners[1]) / 2
+    def center(self) -> np.ndarray:
+        return (self[0] + self[1]) / 2
 
     @property
-    def lower_left(self):
-        """The x, y, z coordinates of the lower left corner of the bounding box"""
-        return self.corners[0]
+    def lower_left(self) -> np.ndarray:
+        return self[0]
 
     @property
-    def upper_right(self):
-        """The x, y, z coordinates of the upper right corner of the bounding box"""
-        return self.corners[1]
+    def upper_right(self) -> np.ndarray:
+        return self[1]
 
     @property
-    def volume(self):
-        """The volume of the bounding box"""
-        return np.abs(np.prod(self.corners[1] - self.corners[0]))
+    def volume(self) -> float:
+        return np.abs(np.prod(self[1] - self[0]))
diff --git a/openmc/cell.py b/openmc/cell.py
index db8ffd48b..67735ef5e 100644
--- a/openmc/cell.py
+++ b/openmc/cell.py
@@ -92,6 +92,8 @@ class Cell(IDManagerMixin):
         fill. For example, {'U235': 1.0e22, 'U238': 5.0e22, ...}.
 
         .. versionadded:: 0.12
+    bounding_box : openmc.BoundingBox
+        Axis-aligned bounding box of the cell
 
     """
 
@@ -250,8 +252,8 @@ class Cell(IDManagerMixin):
         if self.region is not None:
             return self.region.bounding_box
         else:
-            return BoundingBox((np.array([-np.inf, -np.inf, -np.inf]),
-                    np.array([np.inf, np.inf, np.inf])))
+            return BoundingBox(np.array([-np.inf, -np.inf, -np.inf]),
+                               np.array([np.inf, np.inf, np.inf]))
 
     @property
     def num_instances(self):
diff --git a/openmc/geometry.py b/openmc/geometry.py
index ad86cc56b..c3fd427e8 100644
--- a/openmc/geometry.py
+++ b/openmc/geometry.py
@@ -25,7 +25,7 @@ class Geometry:
     ----------
     root_universe : openmc.UniverseBase
         Root universe which contains all others
-    bounding_box : 2-tuple of numpy.array
+    bounding_box : openmc.BoundingBox
         Lower-left and upper-right coordinates of an axis-aligned bounding box
         of the universe.
     merge_surfaces : bool
diff --git a/openmc/lib/cell.py b/openmc/lib/cell.py
index c88d6da51..3394643ae 100644
--- a/openmc/lib/cell.py
+++ b/openmc/lib/cell.py
@@ -103,7 +103,7 @@ class Cell(_FortranObjectWithID):
         Name of the cell
     num_instances : int
         Number of unique cell instances
-    bounding_box : 2-tuple of numpy.ndarray
+    bounding_box : openmc.BoundingBox
         Lower-left and upper-right coordinates of bounding box
     translation : Iterable of float
         3-D coordinates of the translation vector
@@ -291,7 +291,7 @@ class Cell(_FortranObjectWithID):
         llc[llc == -inf] = -np.inf
         urc[urc == -inf] = -np.inf
 
-        return BoundingBox((llc, urc))
+        return BoundingBox(llc, urc)
 
 
 class _CellMapping(Mapping):
diff --git a/openmc/region.py b/openmc/region.py
index d8935a070..af9df1ba1 100644
--- a/openmc/region.py
+++ b/openmc/region.py
@@ -356,7 +356,7 @@ class Intersection(Region, MutableSequence):
 
     Attributes
     ----------
-    bounding_box : tuple of numpy.array
+    bounding_box : openmc.BoundingBox
         Lower-left and upper-right coordinates of an axis-aligned bounding box
 
     """
@@ -419,7 +419,7 @@ class Intersection(Region, MutableSequence):
             lower_left_n, upper_right_n = n.bounding_box
             lower_left[:] = np.maximum(lower_left, lower_left_n)
             upper_right[:] = np.minimum(upper_right, upper_right_n)
-        return BoundingBox((lower_left, upper_right))
+        return BoundingBox(lower_left, upper_right)
 
 
 class Union(Region, MutableSequence):
@@ -444,7 +444,7 @@ class Union(Region, MutableSequence):
 
     Attributes
     ----------
-    bounding_box : 2-tuple of numpy.array
+    bounding_box : openmc.BoundingBox
         Lower-left and upper-right coordinates of an axis-aligned bounding box
 
     """
@@ -507,7 +507,7 @@ class Union(Region, MutableSequence):
             lower_left_n, upper_right_n = n.bounding_box
             lower_left[:] = np.minimum(lower_left, lower_left_n)
             upper_right[:] = np.maximum(upper_right, upper_right_n)
-        return BoundingBox((lower_left, upper_right))
+        return BoundingBox(lower_left, upper_right)
 
 
 class Complement(Region):
@@ -534,7 +534,7 @@ class Complement(Region):
     ----------
     node : openmc.Region
         Regions to take the complement of
-    bounding_box : tuple of numpy.array
+    bounding_box : openmc.BoundingBox
         Lower-left and upper-right coordinates of an axis-aligned bounding box
 
     """
diff --git a/openmc/surface.py b/openmc/surface.py
index 98ced13c6..2912cfd7e 100644
--- a/openmc/surface.py
+++ b/openmc/surface.py
@@ -234,10 +234,10 @@ class Surface(IDManagerMixin, ABC):
             desired half-space
 
         """
-        return BoundingBox((
+        return BoundingBox(
             np.array([-np.inf, -np.inf, -np.inf]),
             np.array([np.inf, np.inf, np.inf])
-        ))
+        )
 
     def clone(self, memo=None):
         """Create a copy of this surface with a new unique ID.
@@ -542,7 +542,7 @@ class PlaneMixin:
                 else:
                     ur = np.array([v if not np.isnan(v) else np.inf for v in vals])
 
-        return BoundingBox((ll, ur))
+        return BoundingBox(ll, ur)
 
     def evaluate(self, point):
         """Evaluate the surface equation at a given point.
@@ -1199,10 +1199,10 @@ class Cylinder(QuadricMixin, Surface):
             return (np.array(ll), np.array(ur))
 
         elif side == '+':
-            return BoundingBox((
+            return BoundingBox(
                 np.array([-np.inf, -np.inf, -np.inf]),
                 np.array([np.inf, np.inf, np.inf])
-            ))
+            )
 
     def _get_base_coeffs(self):
         # Get x, y, z coordinates of two points
@@ -1364,15 +1364,15 @@ class XCylinder(QuadricMixin, Surface):
 
     def bounding_box(self, side):
         if side == '-':
-            return BoundingBox((
+            return BoundingBox(
                 np.array([-np.inf, self.y0 - self.r, self.z0 - self.r]),
                 np.array([np.inf, self.y0 + self.r, self.z0 + self.r])
-            ))
+            )
         elif side == '+':
-            return BoundingBox((
+            return BoundingBox(
                 np.array([-np.inf, -np.inf, -np.inf]),
                 np.array([np.inf, np.inf, np.inf])
-            ))
+            )
 
     def evaluate(self, point):
         y = point[1] - self.y0
@@ -1459,15 +1459,15 @@ class YCylinder(QuadricMixin, Surface):
 
     def bounding_box(self, side):
         if side == '-':
-            return BoundingBox((
+            return BoundingBox(
                 np.array([self.x0 - self.r, -np.inf, self.z0 - self.r]),
                 np.array([self.x0 + self.r, np.inf, self.z0 + self.r])
-            ))
+            )
         elif side == '+':
-            return BoundingBox((
+            return BoundingBox(
                 np.array([-np.inf, -np.inf, -np.inf]),
                 np.array([np.inf, np.inf, np.inf])
-            ))
+            )
 
     def evaluate(self, point):
         x = point[0] - self.x0
@@ -1554,15 +1554,15 @@ class ZCylinder(QuadricMixin, Surface):
 
     def bounding_box(self, side):
         if side == '-':
-            return BoundingBox((
+            return BoundingBox(
                 np.array([self.x0 - self.r, self.y0 - self.r, -np.inf]),
                 np.array([self.x0 + self.r, self.y0 + self.r, np.inf])
-            ))
+            )
         elif side == '+':
-            return BoundingBox((
+            return BoundingBox(
                 np.array([-np.inf, -np.inf, -np.inf]),
                 np.array([np.inf, np.inf, np.inf])
-            ))
+            )
 
     def evaluate(self, point):
         x = point[0] - self.x0
@@ -1648,15 +1648,15 @@ class Sphere(QuadricMixin, Surface):
 
     def bounding_box(self, side):
         if side == '-':
-            return BoundingBox((
+            return BoundingBox(
                 np.array([self.x0 - self.r, self.y0 - self.r, self.z0 - self.r]),
                 np.array([self.x0 + self.r, self.y0 + self.r, self.z0 + self.r])
-            ))
+            )
         elif side == '+':
-            return BoundingBox((
+            return BoundingBox(
                 np.array([-np.inf, -np.inf, -np.inf]),
                 np.array([np.inf, np.inf, np.inf])
-            ))
+            )
 
     def evaluate(self, point):
         x = point[0] - self.x0
@@ -2272,15 +2272,15 @@ class XTorus(TorusMixin, Surface):
         x0, y0, z0 = self.x0, self.y0, self.z0
         a, b, c = self.a, self.b, self.c
         if side == '-':
-            return BoundingBox((
+            return BoundingBox(
                 np.array([x0 - b, y0 - a - c, z0 - a - c]),
                 np.array([x0 + b, y0 + a + c, z0 + a + c])
-            ))
+            )
         elif side == '+':
-            return BoundingBox((
+            return BoundingBox(
                 np.array([-np.inf, -np.inf, -np.inf]),
                 np.array([np.inf, np.inf, np.inf])
-            ))
+            )
 
 class YTorus(TorusMixin, Surface):
     r"""A torus of the form :math:`(y - y_0)^2/B^2 + (\sqrt{(x - x_0)^2 + (z -
@@ -2347,15 +2347,15 @@ class YTorus(TorusMixin, Surface):
         x0, y0, z0 = self.x0, self.y0, self.z0
         a, b, c = self.a, self.b, self.c
         if side == '-':
-            return BoundingBox((
+            return BoundingBox(
                 np.array([x0 - a - c, y0 - b, z0 - a - c]),
                 np.array([x0 + a + c, y0 + b, z0 + a + c])
-            ))
+            )
         elif side == '+':
-            return BoundingBox((
+            return BoundingBox(
                 np.array([-np.inf, -np.inf, -np.inf]),
                 np.array([np.inf, np.inf, np.inf])
-            ))
+            )
 
 
 class ZTorus(TorusMixin, Surface):
@@ -2423,15 +2423,15 @@ class ZTorus(TorusMixin, Surface):
         x0, y0, z0 = self.x0, self.y0, self.z0
         a, b, c = self.a, self.b, self.c
         if side == '-':
-            return BoundingBox((
+            return BoundingBox(
                 np.array([x0 - a - c, y0 - a - c, z0 - b]),
                 np.array([x0 + a + c, y0 + a + c, z0 + b])
-            ))
+            )
         elif side == '+':
-            return BoundingBox((
+            return BoundingBox(
                 np.array([-np.inf, -np.inf, -np.inf]),
                 np.array([np.inf, np.inf, np.inf])
-            ))
+            )
 
 
 class Halfspace(Region):
@@ -2466,7 +2466,7 @@ class Halfspace(Region):
         Surface which divides Euclidean space.
     side : {'+', '-'}
         Indicates whether the positive or negative half-space is used.
-    bounding_box : tuple of numpy.ndarray
+    bounding_box : openmc.BoundingBox
         Lower-left and upper-right coordinates of an axis-aligned bounding box
 
     """
diff --git a/openmc/universe.py b/openmc/universe.py
index 2ed96f4bc..a8d0a0b3a 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -202,7 +202,7 @@ class Universe(UniverseBase):
         Volume of the universe in cm^3. This can either be set manually or
         calculated in a stochastic volume calculation and added via the
         :meth:`Universe.add_volume_information` method.
-    bounding_box : 2-tuple of numpy.array
+    bounding_box : openmc.BoundingBox
         Lower-left and upper-right coordinates of an axis-aligned bounding box
         of the universe.
 
@@ -662,7 +662,7 @@ class DAGMCUniverse(UniverseBase):
     auto_mat_ids : bool
         Set IDs automatically on initialization (True)  or report overlaps in ID
         space between OpenMC and UWUW materials (False)
-    bounding_box : 2-tuple of numpy.array
+    bounding_box : openmc.BoundingBox
         Lower-left and upper-right coordinates of an axis-aligned bounding box
         of the universe.
 
@@ -972,4 +972,4 @@ class DAGMCUniverse(UniverseBase):
         clone.volume = self.volume
         clone.auto_geom_ids = self.auto_geom_ids
         clone.auto_mat_ids = self.auto_mat_ids
-        return clone
\ No newline at end of file
+        return clone
diff --git a/tests/unit_tests/test_bounding_box.py b/tests/unit_tests/test_bounding_box.py
index 419ada653..f053bb2a1 100644
--- a/tests/unit_tests/test_bounding_box.py
+++ b/tests/unit_tests/test_bounding_box.py
@@ -3,15 +3,9 @@ import openmc
 import pytest
 
 
-test_bb_1 = openmc.BoundingBox(
-    (np.array([-10.0, -20.0, -30.0]), np.array([1.0, 2.0, 3.0]))
-)
-test_bb_2 = openmc.BoundingBox(
-    (np.array([1.0, 2.0, 3.0]), np.array([11.0, 22.0, 33.0]))
-)
-test_bb_3 = openmc.BoundingBox(
-    (np.array([-10.0, -20.0, -30.0]), np.array([-1.0, -2.0, -3.0]))
-)
+test_bb_1 = openmc.BoundingBox((-10.0, -20.0, -30.0), (1.0, 2.0, 3.0))
+test_bb_2 = openmc.BoundingBox((1.0, 2.0, 3.0), (11.0, 22.0, 33.0))
+test_bb_3 = openmc.BoundingBox((-10.0, -20.0, -30.0), (-1.0, -2.0, -3.0))
 
 
 @pytest.mark.parametrize(
@@ -63,29 +57,21 @@ def test_bounding_box_center(bb, expected):
 
 
 def test_bounding_box_input_checking():
-    # checks that a list is not accepted instead of np.array
+    # checks that only passing lower_left is not accepted
     with pytest.raises(TypeError):
-        openmc.BoundingBox(([-10, -20, -30], [1, 2, 3]))
-    # checks that a list is not accepted instead of tuple
-    with pytest.raises(TypeError):
-        openmc.BoundingBox([np.array([-10, -20, -30]), np.array([1, 2, 3])])
-    # checks that a tuple with one entry is not accepted
-    with pytest.raises(TypeError):
-        openmc.BoundingBox((np.array([-10, -20, -30])))
+        openmc.BoundingBox((-10, -20, -3))
     # checks that a tuple with three entry is not accepted
-    with pytest.raises(ValueError):
-        openmc.BoundingBox(
-            (np.array([-1, -2, -3]), np.array([-1, -2, -3]), np.array([-1, -2, -3]))
-        )
+    with pytest.raises(TypeError):
+        openmc.BoundingBox((-1, -2, -3), (-1, -2, -3), (-1, -2, -3))
     # checks that a numpy array with two entries is not accepted
     with pytest.raises(ValueError):
-        openmc.BoundingBox((np.array([-10, -30]), np.array([1, 2, 3])))
+        openmc.BoundingBox(np.array([-10, -30]), np.array([1, 2, 3]))
     # checks that a numpy array with two entries is not accepted
     with pytest.raises(ValueError):
-        openmc.BoundingBox((np.array([-10, -20, -30]), np.array([1, 3])))
+        openmc.BoundingBox(np.array([-10, -20, -30]), np.array([1, 3]))
     # checks that a numpy array with four entries is not accepted
     with pytest.raises(ValueError):
-        openmc.BoundingBox((np.array([-10, -20, -3, -4]), np.array([1, 2, 3])))
+        openmc.BoundingBox(np.array([-10, -20, -3, -4]), np.array([1, 2, 3]))
     # checks that a numpy array with four entries is not accepted
     with pytest.raises(ValueError):
-        openmc.BoundingBox((np.array([-10, -20, -4]), np.array([1, 2, 3, 4])))
+        openmc.BoundingBox(np.array([-10, -20, -4]), np.array([1, 2, 3, 4]))

From 37f9bdfaca37d2a0ddfd152b152ccd414d3183ea Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <drshimwell@gmail.com>
Date: Wed, 19 Apr 2023 08:07:41 +0100
Subject: [PATCH 1814/2654] [skip ci] improve doc string from review

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/universe.py | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/openmc/universe.py b/openmc/universe.py
index 3ad17778e..f35b1d364 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -341,10 +341,11 @@ class Universe(UniverseBase):
         **kwargs
             Keyword arguments passed to :func:`matplotlib.pyplot.imshow`
 
-            .. versionadded:: 0.13.4
         outline : bool
             Whether outlines between color boundaries should be drawn
 
+            .. versionadded:: 0.13.4
+
         Returns
         -------
         matplotlib.image.AxesImage

From 2487c52d6e75e0fac6e264503fc34fcd8ec51c88 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Wed, 19 Apr 2023 12:00:31 +0100
Subject: [PATCH 1815/2654] working for libpng and no libpng users

---
 openmc/universe.py | 14 ++------------
 1 file changed, 2 insertions(+), 12 deletions(-)

diff --git a/openmc/universe.py b/openmc/universe.py
index f35b1d364..fd0d6d44a 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -21,14 +21,6 @@ from .plots import _SVG_COLORS
 from .surface import _BOUNDARY_TYPES
 
 
-def get_int_from_rgb(rgb: typing.Tuple[int, int, int]) -> int:
-    """Converts a tuple of ints into a single int"""
-    red = rgb[0]
-    green = rgb[1]
-    blue = rgb[2]
-    return (red << 16) + (green << 8) + blue
-
-
 class UniverseBase(ABC, IDManagerMixin):
     """A collection of cells that can be repeated.
 
@@ -412,10 +404,8 @@ class Universe(UniverseBase):
 
             if outline:
 
-                image_value = [
-                    [get_int_from_rgb(inner_entry) for inner_entry in outer_entry]
-                    for outer_entry in img
-                ]
+                rgb = (img * 256).astype(int)
+                image_value = (rgb[..., 0] << 16) + (rgb[..., 1] << 8) + (rgb[..., 2])
 
                 axes.contour(
                     image_value,

From 90e7e1d3f06f6074b7574272cc0d04fae8f254ef Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Wed, 19 Apr 2023 12:22:46 +0100
Subject: [PATCH 1816/2654] added outline to plot testing

---
 tests/unit_tests/test_plots.py | 18 ++++++++++++------
 1 file changed, 12 insertions(+), 6 deletions(-)

diff --git a/tests/unit_tests/test_plots.py b/tests/unit_tests/test_plots.py
index 183341c26..ee3b2c1e2 100644
--- a/tests/unit_tests/test_plots.py
+++ b/tests/unit_tests/test_plots.py
@@ -12,6 +12,7 @@ def myplot():
     plot.filename = 'myplot'
     plot.type = 'slice'
     plot.basis = 'yz'
+    plot.outline = True
     plot.background = 'black'
     plot.background = (0, 0, 0)
 
@@ -59,26 +60,31 @@ def myprojectionplot():
 
     plot.overlap_color = (255, 211, 0)
     plot.overlap_color = 'yellow'
-    
+
     plot.wireframe_thickness = 2
 
     plot.level = 1
     return plot
 
+
 def test_attributes(myplot):
     assert myplot.name == 'myplot'
 
+
 def test_attributes_proj(myprojectionplot):
     assert myprojectionplot.name == 'myprojectionplot'
 
+
 def test_repr(myplot):
     r = repr(myplot)
     assert isinstance(r, str)
 
+
 def test_repr_proj(myprojectionplot):
     r = repr(myprojectionplot)
     assert isinstance(r, str)
 
+
 def test_from_geometry():
     width = 25.
     s = openmc.Sphere(r=width/2, boundary_type='vacuum')
@@ -155,8 +161,8 @@ def test_plots(run_in_tmpdir):
 
     # from_xml
     new_plots = openmc.Plots.from_xml()
-    assert len(plots)
-    assert plots[0].origin == p1.origin
-    assert plots[0].colors == p1.colors
-    assert plots[0].mask_components == p1.mask_components
-    assert plots[1].origin == p2.origin
+    assert len(new_plots)
+    assert new_plots[0].origin == p1.origin
+    assert new_plots[0].colors == p1.colors
+    assert new_plots[0].mask_components == p1.mask_components
+    assert new_plots[1].origin == p2.origin

From 887cfd2e78fe3bd29c614e7d03437bd1a7c49b16 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <drshimwell@gmail.com>
Date: Wed, 19 Apr 2023 15:59:55 +0100
Subject: [PATCH 1817/2654] [skip ci] review improvment from Paul

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/universe.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/universe.py b/openmc/universe.py
index fd0d6d44a..4f36c3d85 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -403,7 +403,7 @@ class Universe(UniverseBase):
                 fig.set_size_inches(width, height)
 
             if outline:
-
+                # Combine R, G, B values into a single int
                 rgb = (img * 256).astype(int)
                 image_value = (rgb[..., 0] << 16) + (rgb[..., 1] << 8) + (rgb[..., 2])
 

From a8e7d3855585b11c2fc2296c0a856b54064d4761 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Wed, 19 Apr 2023 16:02:07 +0100
Subject: [PATCH 1818/2654] moved plot outline test, added levels

---
 openmc/universe.py                | 1 +
 tests/unit_tests/test_plots.py    | 1 -
 tests/unit_tests/test_universe.py | 1 +
 3 files changed, 2 insertions(+), 1 deletion(-)

diff --git a/openmc/universe.py b/openmc/universe.py
index 4f36c3d85..4054485fd 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -413,6 +413,7 @@ class Universe(UniverseBase):
                     colors="k",
                     linestyles="solid",
                     linewidths=1,
+                    levels=np.unique(image_value),
                     extent=(x_min, x_max, y_min, y_max),
                 )
 
diff --git a/tests/unit_tests/test_plots.py b/tests/unit_tests/test_plots.py
index ee3b2c1e2..0dddc827c 100644
--- a/tests/unit_tests/test_plots.py
+++ b/tests/unit_tests/test_plots.py
@@ -12,7 +12,6 @@ def myplot():
     plot.filename = 'myplot'
     plot.type = 'slice'
     plot.basis = 'yz'
-    plot.outline = True
     plot.background = 'black'
     plot.background = (0, 0, 0)
 
diff --git a/tests/unit_tests/test_universe.py b/tests/unit_tests/test_universe.py
index a70bd4667..1bfbbf7ff 100644
--- a/tests/unit_tests/test_universe.py
+++ b/tests/unit_tests/test_universe.py
@@ -59,6 +59,7 @@ def test_plot(run_in_tmpdir, sphere_model):
             pixels=(10, 10),
             color_by='material',
             colors=colors,
+            outline=True,
         )
 
 

From 2f87ce7f2789b5a5a75ae70099cfcb2d12bae30c Mon Sep 17 00:00:00 2001
From: Gavin Ridley <gavin.keith.ridley@gmail.com>
Date: Wed, 19 Apr 2023 12:22:29 -0400
Subject: [PATCH 1819/2654] Update openmc/universe.py

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/universe.py | 1 -
 1 file changed, 1 deletion(-)

diff --git a/openmc/universe.py b/openmc/universe.py
index b85d36895..3f4982547 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -296,7 +296,6 @@ class Universe(UniverseBase):
         return []
 
     # default kwargs that are passed to plt.legend in the plot method below.
-    # If you change this, be sure to change it in the docstring for plot below.
     _default_legend_kwargs = {'bbox_to_anchor': (
         1.05, 1), 'loc': 2, 'borderaxespad': 0.0}
 

From 22f4fc0902b0ed708a245c6b82a341dbbfee99b5 Mon Sep 17 00:00:00 2001
From: Gavin Ridley <gavin.keith.ridley@gmail.com>
Date: Wed, 19 Apr 2023 12:22:39 -0400
Subject: [PATCH 1820/2654] Update openmc/universe.py

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/universe.py | 3 ---
 1 file changed, 3 deletions(-)

diff --git a/openmc/universe.py b/openmc/universe.py
index 3f4982547..d5ae07717 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -342,9 +342,6 @@ class Universe(UniverseBase):
             .. versionadded:: 0.13.4
         legend_kwargs : dict
             Keyword arguments passed to :func:`matplotlib.pyplot.legend`.
-            The default is:
-
-            {'bbox_to_anchor': (1.05, 1), 'loc':2, 'borderaxespad': 0.0}
 
             .. versionadded:: 0.13.4
         **kwargs

From bdd34fc64dbe0cd9d034d1531ef5d17237bd342d Mon Sep 17 00:00:00 2001
From: Christina Cai <chrsitinacai48933@gmail.com>
Date: Wed, 19 Apr 2023 14:21:12 -0400
Subject: [PATCH 1821/2654] added deepcopy back in geometry.py

---
 openmc/geometry.py | 1 +
 1 file changed, 1 insertion(+)

diff --git a/openmc/geometry.py b/openmc/geometry.py
index 01c0b2714..ee4a58a3b 100644
--- a/openmc/geometry.py
+++ b/openmc/geometry.py
@@ -2,6 +2,7 @@ from __future__ import annotations
 import os
 import typing
 from collections import OrderedDict, defaultdict
+from copy import deepcopy
 from collections.abc import Iterable
 from pathlib import Path
 import warnings

From 5713ef700cd06f0059489f7ff304eeebe2c07135 Mon Sep 17 00:00:00 2001
From: stchaker <stchaker@mit.edu>
Date: Thu, 20 Apr 2023 12:21:10 -0400
Subject: [PATCH 1822/2654] update mac segfault fix format, fix python settings
 name

---
 include/openmc/settings.h | 2 +-
 openmc/lib/settings.py    | 2 +-
 src/settings.cpp          | 3 +--
 3 files changed, 3 insertions(+), 4 deletions(-)

diff --git a/include/openmc/settings.h b/include/openmc/settings.h
index 9cd2f7c2d..f6cbe3138 100644
--- a/include/openmc/settings.h
+++ b/include/openmc/settings.h
@@ -73,7 +73,7 @@ extern std::string path_statepoint;       //!< path to a statepoint file
 // This is required because the c_str() may not be the first thing in
 // std::string. Sometimes it is, but it seems libc++ may not be like that
 // on some computers, like the intel Mac.
-extern "C" char const* path_statepoint_c; //!< C pointer to statepoint file name
+extern "C" const char* path_statepoint_c; //!< C pointer to statepoint file name
 
 extern "C" int32_t n_inactive;         //!< number of inactive batches
 extern "C" int32_t max_lost_particles; //!< maximum number of lost particles
diff --git a/openmc/lib/settings.py b/openmc/lib/settings.py
index 2e9dd18df..9225c2d4e 100644
--- a/openmc/lib/settings.py
+++ b/openmc/lib/settings.py
@@ -56,7 +56,7 @@ class _Settings:
 
     @property
     def path_statepoint(self):
-        path = c_char_p.in_dll(_dll, 'path_statepoint').value
+        path = c_char_p.in_dll(_dll, 'path_statepoint_c').value
         return path.decode()
 
     @property
diff --git a/src/settings.cpp b/src/settings.cpp
index cf678d404..b0848b3b5 100644
--- a/src/settings.cpp
+++ b/src/settings.cpp
@@ -82,8 +82,7 @@ std::string path_output;
 std::string path_particle_restart;
 std::string path_sourcepoint;
 std::string path_statepoint;
-std::string empty_string = "";
-char const* path_statepoint_c {empty_string.c_str()};
+const char* path_statepoint_c {path_statepoint.c_str()};
 
 int32_t n_inactive {0};
 int32_t max_lost_particles {10};

From abfe5ebf99ffc0ba8bb69a6b8cd4f6ec0db03722 Mon Sep 17 00:00:00 2001
From: Gavin Ridley <gavin.keith.ridley@gmail.com>
Date: Fri, 21 Apr 2023 16:09:49 -0400
Subject: [PATCH 1823/2654] warning rather than error for weird file name
 passing to mcpl

---
 src/mcpl_interface.cpp | 8 ++++----
 1 file changed, 4 insertions(+), 4 deletions(-)

diff --git a/src/mcpl_interface.cpp b/src/mcpl_interface.cpp
index 64d6046e3..5c3df026c 100644
--- a/src/mcpl_interface.cpp
+++ b/src/mcpl_interface.cpp
@@ -112,7 +112,7 @@ vector<SourceSite> mcpl_source_sites(std::string path)
 
 #ifdef OPENMC_MCPL
 void write_mcpl_source_bank(mcpl_outfile_t file_id,
-  gsl::span<SourceSite> source_bank, vector<int64_t> const& bank_index)
+  gsl::span<SourceSite> source_bank, const vector<int64_t>& bank_index)
 {
   int64_t dims_size = settings::n_particles;
   int64_t count_size = simulation::work_per_rank;
@@ -189,15 +189,15 @@ void write_mcpl_source_bank(mcpl_outfile_t file_id,
 //==============================================================================
 
 void write_mcpl_source_point(const char* filename,
-  gsl::span<SourceSite> source_bank, vector<int64_t> const& bank_index)
+  gsl::span<SourceSite> source_bank, const vector<int64_t>& bank_index)
 {
   std::string filename_(filename);
   const auto extension = get_file_extension(filename_);
   if (extension == "") {
     filename_.append(".mcpl");
   } else if (extension != "mcpl") {
-    fatal_error("write_mcpl_source_point was passed an incorrect file "
-                "extension. Must either pass nothing or .mcpl");
+    warning("write_mcpl_source_point was passed a file extension differing "
+            "from .mcpl, but an mcpl file will be written.");
   }
 
 #ifdef OPENMC_MCPL

From 6440153c744a796e4bbd2140cda9e86b1e4432ef Mon Sep 17 00:00:00 2001
From: Gavin Ridley <gavin.keith.ridley@gmail.com>
Date: Fri, 21 Apr 2023 16:37:48 -0400
Subject: [PATCH 1824/2654] pass 0-1 RGB value to matplotlib in universe plot
 legend

---
 openmc/universe.py | 17 +++++++++++++++--
 1 file changed, 15 insertions(+), 2 deletions(-)

diff --git a/openmc/universe.py b/openmc/universe.py
index 67296dda8..02ce1609c 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -426,7 +426,8 @@ class Universe(UniverseBase):
             if outline:
                 # Combine R, G, B values into a single int
                 rgb = (img * 256).astype(int)
-                image_value = (rgb[..., 0] << 16) + (rgb[..., 1] << 8) + (rgb[..., 2])
+                image_value = (rgb[..., 0] << 16) + \
+                    (rgb[..., 1] << 8) + (rgb[..., 2])
 
                 axes.contour(
                     image_value,
@@ -462,7 +463,19 @@ class Universe(UniverseBase):
 
                     # this works whether we're doing cells or materials
                     label = key.name if key.name != '' else key.id
-                    key_patch = mpatches.Patch(color=color, label=label)
+
+                    # matplotlib takes RGB on 0-1 scale rather than 0-255. at
+                    # this point PlotBase has already checked that 3-tuple
+                    # based colors are already valid, so if the length is three
+                    # then we know it just needs to be converted to the 0-1
+                    # format.
+                    if len(color) == 3 and not isinstance(color, str):
+                        scaled_color = (
+                            color[0]/255, color[1]/255, color[2]/255)
+                    else:
+                        scaled_color = color
+
+                    key_patch = mpatches.Patch(color=scaled_color, label=label)
                     patches.append(key_patch)
 
                 axes.legend(handles=patches, **legend_kwargs)

From b86e03d849ae6ff4e15f566af86faf315d088015 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 21 Apr 2023 16:16:43 -0500
Subject: [PATCH 1825/2654] Fix typo (thanks @gridley)

Co-authored-by: Gavin Ridley <gavin.keith.ridley@gmail.com>
---
 openmc/data/library.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/data/library.py b/openmc/data/library.py
index fccaef393..5cafd1961 100644
--- a/openmc/data/library.py
+++ b/openmc/data/library.py
@@ -11,7 +11,7 @@ from openmc._xml import clean_indentation, reorder_attributes
 class DataLibrary(list):
     """Collection of cross section data libraries.
 
-    This clas behaves like a list where each item is a dictionary summarizing
+    This class behaves like a list where each item is a dictionary summarizing
     cross section data from a single file. The dictionary has keys 'path',
     'type', and 'materials'.
 

From cee1615157fba64c603123a39f6f6fbb8dc7e868 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Mon, 24 Apr 2023 07:01:09 -0500
Subject: [PATCH 1826/2654] Defer import of matplotlib in multipole.py

---
 openmc/data/multipole.py | 5 ++---
 1 file changed, 2 insertions(+), 3 deletions(-)

diff --git a/openmc/data/multipole.py b/openmc/data/multipole.py
index 642f2cb43..5e2279902 100644
--- a/openmc/data/multipole.py
+++ b/openmc/data/multipole.py
@@ -1,14 +1,12 @@
 from numbers import Real
 from math import exp, erf, pi, sqrt
 from copy import deepcopy
-import warnings
 
 import os
 import h5py
 import pickle
 import numpy as np
 from scipy.signal import find_peaks
-import matplotlib.pyplot as plt
 
 import openmc.checkvalue as cv
 from ..exceptions import DataError
@@ -364,6 +362,7 @@ def _vectfit_xs(energy, ce_xs, mts, rtol=1e-3, atol=1e-5, orders=None,
         for i, mt in enumerate(mts):
             if not test_xs_ref[i].any():
                 continue
+            import matplotlib.pyplot as plt
             fig, ax1 = plt.subplots()
             lns1 = ax1.loglog(test_energy, test_xs_ref[i], 'g', label="ACE xs")
             lns2 = ax1.loglog(test_energy, best_test_xs[i], 'b', label="VF xs")
@@ -1154,7 +1153,7 @@ class WindowedMultipole(EqualityMixin):
         Returns
         -------
         3-tuple of Real
-            Scattering, absorption, and fission microscopic cross sections 
+            Scattering, absorption, and fission microscopic cross sections
             at the given energy and temperature.
 
         """

From da240211196021401a295ec3e22944643c46daa0 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Mon, 24 Apr 2023 09:48:26 -0500
Subject: [PATCH 1827/2654] Add property for distances in CruciformPrism

---
 openmc/model/surface_composite.py          | 13 +++++++++++++
 tests/unit_tests/test_surface_composite.py |  6 ++++++
 2 files changed, 19 insertions(+)

diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index 6acfdde4a..0f4d7cc7f 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -1137,6 +1137,19 @@ class CruciformPrism(CompositeSurface):
     def _surface_names(self):
         return self._surfnames
 
+    @property
+    def distances(self):
+        return self._distances
+
+    @distances.setter
+    def distances(self, values):
+        values = np.array(values, dtype=float)
+        # Check for monotonicity
+        if (values[1:] > values[:-1]).all() or (values[1:] < values[:-1]).all():
+            self._distances = values
+        else:
+            raise ValueError("distances must be monotonic")
+
     def __neg__(self):
         n = len(self.distances)
         regions = []
diff --git a/tests/unit_tests/test_surface_composite.py b/tests/unit_tests/test_surface_composite.py
index 066dd3307..d73038bdb 100644
--- a/tests/unit_tests/test_surface_composite.py
+++ b/tests/unit_tests/test_surface_composite.py
@@ -455,3 +455,9 @@ def test_cruciform_prism(axis):
 
     # Make sure repr works
     repr(s)
+
+    # Check that non-monotonic distances fail
+    with pytest.raises(ValueError):
+        openmc.model.CruciformPrism([1.0, 0.5, 2.0, 3.0])
+    with pytest.raises(ValueError):
+        openmc.model.CruciformPrism([3.0, 2.0, 0.5, 1.0])

From 01cd2cc8ddcc791077dbdad7875b148bdfebece9 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Mon, 24 Apr 2023 10:53:00 -0500
Subject: [PATCH 1828/2654] Check that distances are all positive

Co-authored-by: Ethan Peterson <ethan.peterson@mit.edu>
---
 openmc/model/surface_composite.py | 3 +++
 1 file changed, 3 insertions(+)

diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index 0f4d7cc7f..22724c675 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -1144,6 +1144,9 @@ class CruciformPrism(CompositeSurface):
     @distances.setter
     def distances(self, values):
         values = np.array(values, dtype=float)
+        # check for positive values
+        if not (values > 0).all():
+            raise ValueError("distances must be positive")
         # Check for monotonicity
         if (values[1:] > values[:-1]).all() or (values[1:] < values[:-1]).all():
             self._distances = values

From 8344431ea06fa9612694d4dcaef00e6e93f8be77 Mon Sep 17 00:00:00 2001
From: Gavin Ridley <gavin.keith.ridley@gmail.com>
Date: Mon, 24 Apr 2023 13:19:29 -0400
Subject: [PATCH 1829/2654] fix my incorrect MPI code

---
 src/message_passing.cpp | 16 +++++++---------
 1 file changed, 7 insertions(+), 9 deletions(-)

diff --git a/src/message_passing.cpp b/src/message_passing.cpp
index 1630e52c0..374c1aa72 100644
--- a/src/message_passing.cpp
+++ b/src/message_passing.cpp
@@ -20,21 +20,19 @@ extern "C" bool openmc_master()
 vector<int64_t> calculate_parallel_index_vector(int64_t size)
 {
   vector<int64_t> result;
-  result.reserve(n_procs + 1);
+  result.resize(n_procs + 1);
+  result[0] = 0;
 
 #ifdef OPENMC_MPI
-  result.resize(n_procs);
-  result[0] = 0;
-  vector<int64_t> bank_size(n_procs + 1);
 
   // Populate the result with cumulative sum of the number of
   // surface source banks per process
-  MPI_Scan(&size, bank_size.data(), 1, MPI_INT64_T, MPI_SUM, intracomm);
-  MPI_Allgather(bank_size.data() + 1, 1, MPI_INT64_T, result.data(), 1,
-    MPI_INT64_T, intracomm);
+  int64_t scan_total;
+  MPI_Scan(&size, &scan_total, 1, MPI_INT64_T, MPI_SUM, intracomm);
+  MPI_Allgather(
+    &scan_total, 1, MPI_INT64_T, result.data() + 1, 1, MPI_INT64_T, intracomm);
 #else
-  result.push_back(0);
-  result.push_back(size);
+  result[1] = size;
 #endif
 
   return result;

From 517c7436b0e61aca570d0f8eaf23d8c32f7a0171 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <drshimwell@gmail.com>
Date: Tue, 25 Apr 2023 09:39:48 +0100
Subject: [PATCH 1830/2654] [skip ci] review improvment from @pshriwise

Co-authored-by: Patrick Shriwise <pshriwise@gmail.com>
---
 openmc/bounding_box.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/bounding_box.py b/openmc/bounding_box.py
index a4a695b99..d2a499092 100644
--- a/openmc/bounding_box.py
+++ b/openmc/bounding_box.py
@@ -20,7 +20,7 @@ class BoundingBox(tuple):
     Attributes
     ----------
     center : numpy.ndarray
-        x, y, z coordinates of the center of the bounding box in [cm].
+        x, y, z coordinates of the center of the bounding box in [cm]
     lower_left : numpy.ndarray
         The x, y, z coordinates of the lower left corner of the bounding box in [cm]
     upper_right : numpy.ndarray

From c06609cd8d9a5fb830102987e11cdb02de9855e5 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Tue, 25 Apr 2023 09:49:42 +0100
Subject: [PATCH 1831/2654] docstring lib.cell.py to match cell.py

---
 openmc/lib/cell.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/lib/cell.py b/openmc/lib/cell.py
index 3394643ae..807fe73c7 100644
--- a/openmc/lib/cell.py
+++ b/openmc/lib/cell.py
@@ -104,7 +104,7 @@ class Cell(_FortranObjectWithID):
     num_instances : int
         Number of unique cell instances
     bounding_box : openmc.BoundingBox
-        Lower-left and upper-right coordinates of bounding box
+        Axis-aligned bounding box of the cell
     translation : Iterable of float
         3-D coordinates of the translation vector
     rotation : Iterable of float

From 646ef6d322b87ea02becced3e80fa2f77c8edf5c Mon Sep 17 00:00:00 2001
From: April Novak <novak@berkeley.edu>
Date: Tue, 25 Apr 2023 15:40:29 -0700
Subject: [PATCH 1832/2654] Correct index check for remove_tally. Refs #2493

---
 src/tallies/tally.cpp | 7 +++----
 1 file changed, 3 insertions(+), 4 deletions(-)

diff --git a/src/tallies/tally.cpp b/src/tallies/tally.cpp
index 8056b2574..0610c8cf1 100644
--- a/src/tallies/tally.cpp
+++ b/src/tallies/tally.cpp
@@ -1280,12 +1280,11 @@ extern "C" size_t tallies_size()
 extern "C" int openmc_remove_tally(int32_t index)
 {
   // check that id is in the map
-  if (index < 0 || index > model::tallies.size()) {
+  if (index < 0 || index >= model::tallies.size()) {
+    set_errmsg("Index in tallies array is out of bounds.");
     return OPENMC_E_OUT_OF_BOUNDS;
   }
-  // grab tally so it's ID can be obtained to remove the (ID,index) pair from
-  // tally_map
-  auto& tally = model::tallies[index];
+
   // delete the tally via iterator pointing to correct position
   // this calls the Tally destructor, removing the tally from the map as well
   model::tallies.erase(model::tallies.begin() + index);

From 664ae00cdc153e99cbe8aaa5204429565e96d319 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Wed, 26 Apr 2023 14:23:44 +0100
Subject: [PATCH 1833/2654] test to check matplotlib is deferred import

---
 tests/regression_tests/python_import/test.py | 7 +++++++
 1 file changed, 7 insertions(+)
 create mode 100644 tests/regression_tests/python_import/test.py

diff --git a/tests/regression_tests/python_import/test.py b/tests/regression_tests/python_import/test.py
new file mode 100644
index 000000000..d24a0cae1
--- /dev/null
+++ b/tests/regression_tests/python_import/test.py
@@ -0,0 +1,7 @@
+import sys
+import openmc
+
+
+def test_matplotlib_presence():
+    """Checks that remains a deferred import"""
+    assert 'matplotlib.pyplot' not in sys.modules

From f2549c9470efe891baf7c15b59f485a12236a8ea Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 26 Apr 2023 09:48:05 -0500
Subject: [PATCH 1834/2654] Defer a few more matplotlib imports

---
 openmc/model/surface_composite.py            | 2 +-
 tests/regression_tests/python_import/test.py | 7 -------
 tests/test_matplotlib_import.py              | 6 ++++++
 tests/unit_tests/test_plotter.py             | 7 ++++---
 4 files changed, 11 insertions(+), 11 deletions(-)
 delete mode 100644 tests/regression_tests/python_import/test.py
 create mode 100644 tests/test_matplotlib_import.py

diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index 25826723c..9508a1db8 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -6,7 +6,6 @@ import operator
 
 import numpy as np
 from scipy.spatial import ConvexHull, Delaunay
-from matplotlib.path import Path
 
 import openmc
 from openmc.checkvalue import (check_greater_than, check_value,
@@ -1021,6 +1020,7 @@ class Polygon(CompositeSurface):
         -------
         surfsets : a list of lists of surface, operator pairs
         """
+        from matplotlib.path import Path
 
         # Get centroids of all the simplices and determine if they are inside
         # the polygon defined by input vertices or not.
diff --git a/tests/regression_tests/python_import/test.py b/tests/regression_tests/python_import/test.py
deleted file mode 100644
index d24a0cae1..000000000
--- a/tests/regression_tests/python_import/test.py
+++ /dev/null
@@ -1,7 +0,0 @@
-import sys
-import openmc
-
-
-def test_matplotlib_presence():
-    """Checks that remains a deferred import"""
-    assert 'matplotlib.pyplot' not in sys.modules
diff --git a/tests/test_matplotlib_import.py b/tests/test_matplotlib_import.py
new file mode 100644
index 000000000..d319976c4
--- /dev/null
+++ b/tests/test_matplotlib_import.py
@@ -0,0 +1,6 @@
+import sys
+import openmc
+
+def test_matplotlib_presence():
+    """Checks that matplotlib remains a deferred import"""
+    assert 'matplotlib' not in sys.modules
diff --git a/tests/unit_tests/test_plotter.py b/tests/unit_tests/test_plotter.py
index cabf9af6d..8520249ba 100644
--- a/tests/unit_tests/test_plotter.py
+++ b/tests/unit_tests/test_plotter.py
@@ -1,7 +1,6 @@
 import numpy as np
 import openmc
 import pytest
-from matplotlib.figure import Figure
 
 
 @pytest.fixture(scope='module')
@@ -74,8 +73,10 @@ def test_calculate_cexs_with_materials(test_mat):
 
 @pytest.mark.parametrize("this", ["Be", "Be9"])
 def test_plot_xs(this):
-    assert isinstance(openmc.plotter.plot_xs(this, types=['total']), Figure)
+    from matplotlib.figure import Figure
+    assert isinstance(openmc.plot_xs(this, types=['total']), Figure)
 
 
 def test_plot_xs_mat(test_mat):
-    assert isinstance(openmc.plotter.plot_xs(test_mat, types=['total']), Figure)
+    from matplotlib.figure import Figure
+    assert isinstance(openmc.plot_xs(test_mat, types=['total']), Figure)

From af5596b6cf519e2c0377c8b41010a9518387f69a Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Wed, 26 Apr 2023 16:14:14 +0100
Subject: [PATCH 1835/2654] plt test includes legend with rgb color

---
 tests/unit_tests/test_universe.py | 25 ++++++++++++++++---------
 1 file changed, 16 insertions(+), 9 deletions(-)

diff --git a/tests/unit_tests/test_universe.py b/tests/unit_tests/test_universe.py
index 1bfbbf7ff..cb4f2b703 100644
--- a/tests/unit_tests/test_universe.py
+++ b/tests/unit_tests/test_universe.py
@@ -48,18 +48,25 @@ def test_bounding_box():
     assert_unbounded(u)
 
 
-def test_plot(run_in_tmpdir, sphere_model):
-    m = sphere_model.materials[0]
-    univ = sphere_model.geometry.root_universe
+def test_plot(run_in_tmpdir):
+
+    pincell = openmc.examples.pwr_pin_cell()
+    materials = pincell.materials
+
+    mat_colors = {
+        materials[0]: (200, 1, 1),
+        materials[1]: "gray",
+        materials[2]: "limegreen"
+    }
 
-    colors = {m: 'limegreen'}
     for basis in ('xy', 'yz', 'xz'):
-        univ.plot(
-            basis=basis,
+        pincell.geometry.root_universe.plot(
+            colors=mat_colors,
+            color_by="material",
+            legend=True,
             pixels=(10, 10),
-            color_by='material',
-            colors=colors,
-            outline=True,
+            basis=basis,
+            outline=True
         )
 
 

From 7c5b8e2dad44f6685af54f35ec710a6a4be02058 Mon Sep 17 00:00:00 2001
From: Ethan Peterson <ethan.peterson@mit.edu>
Date: Wed, 26 Apr 2023 12:57:07 -0400
Subject: [PATCH 1836/2654] clarify track-length flux estimator

---
 docs/source/methods/tallies.rst | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/docs/source/methods/tallies.rst b/docs/source/methods/tallies.rst
index 1aae47d6e..d833c157d 100644
--- a/docs/source/methods/tallies.rst
+++ b/docs/source/methods/tallies.rst
@@ -179,12 +179,12 @@ n(\mathbf{r}, \mathbf{\hat{\Omega}}, E, t)` and :math:`d\ell = v \, dt` where
 
 Equation :eq:`track-length-integral` indicates that we can use the length of a
 particle's trajectory as an estimate for the flux, i.e. the track-length
-estimator of the flux would be
+estimator of the volume-integrated flux would be
 
 .. math::
     :label: track-length-flux
 
-    \phi = \frac{1}{W} \sum_{i \in T} w_i \ell_i
+    V \phi = \frac{1}{W} \sum_{i \in T} w_i \ell_i
 
 where :math:`T` is the set of all the particle's trajectories within the desired
 volume and :math:`\ell_i` is the length of the :math:`i`-th trajectory. In the

From dbf33775a6e26e313e970f1d0f2796748dd6c8e8 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 26 Apr 2023 12:34:05 -0500
Subject: [PATCH 1837/2654] Name change (to_vtk), use pathlib consistently

---
 docs/source/pythonapi/base.rst |  7 +++
 openmc/plots.py                | 91 ++++++++++++++++++----------------
 tests/unit_tests/test_plots.py |  8 ++-
 3 files changed, 62 insertions(+), 44 deletions(-)

diff --git a/docs/source/pythonapi/base.rst b/docs/source/pythonapi/base.rst
index 72d2534ea..72693fddb 100644
--- a/docs/source/pythonapi/base.rst
+++ b/docs/source/pythonapi/base.rst
@@ -191,6 +191,13 @@ Post-processing
    openmc.Track
    openmc.Tracks
 
+.. autosummary::
+   :toctree: generated
+   :nosignatures:
+   :template: myfunction.rst
+
+   openmc.voxel_to_vtk
+
 The following classes and functions are used for functional expansion reconstruction.
 
 .. autosummary::
diff --git a/openmc/plots.py b/openmc/plots.py
index 6eedc9310..b54b3413c 100644
--- a/openmc/plots.py
+++ b/openmc/plots.py
@@ -1,6 +1,7 @@
 from collections.abc import Iterable, Mapping
 from numbers import Integral, Real
 from pathlib import Path
+from typing import Optional
 from xml.etree import ElementTree as ET
 
 import h5py
@@ -8,6 +9,7 @@ import numpy as np
 
 import openmc
 import openmc.checkvalue as cv
+from openmc.checkvalue import PathLike
 
 from ._xml import clean_indentation, get_elem_tuple, reorder_attributes
 from .mixin import IDManagerMixin
@@ -179,56 +181,55 @@ def _get_plot_image(plot, cwd):
     return Image(str(png_file))
 
 
-def _voxel_to_vtk(voxel_file: str, output: str = 'plot.vti'):
-    """Converts a voxel HDF5 file to a VTK file')
+def voxel_to_vtk(voxel_file: PathLike, output: PathLike = 'plot.vti'):
+    """Converts a voxel HDF5 file to a VTK file
 
     Parameters
     ----------
-    voxel_file : str
-        filename of the input h5 to convert
-    output : str
-        filename of the output vti file produced
+    voxel_file : path-like
+        Path of the input h5 to convert
+    output : path-like
+        Path of the output vti file produced
 
     Returns
     -------
-    str
-        Filename of the vti file produced
+    Path
+        Path of the .vti file produced
     """
 
-    # imported vkt only if used as vtk is an option dependency
+    # imported vtk only if used as vtk is an option dependency
     import vtk
 
     _min_version = (2, 0)
 
     # Read data from voxel file
-    fh = h5py.File(voxel_file, "r")
+    with h5py.File(voxel_file, "r") as fh:
+        # check version
+        version = tuple(fh.attrs["version"])
+        if version < _min_version:
+            old_version = ".".join(map(str, version))
+            min_version = ".".join(map(str, _min_version))
+            err_msg = (
+                f"This voxel file's version is {old_version}. This function only "
+                f" supports voxel files with version {min_version} or higher. "
+                "Please generate a new voxel file using a newer version of OpenMC."
+            )
+            raise ValueError(err_msg)
 
-    # check version
-    version = tuple(fh.attrs["version"])
-    if version < _min_version:
-        old_version = ".".join(map(str, version))
-        min_version = ".".join(map(str, _min_version))
-        err_msg = (
-            f"This voxel file's version is {old_version}. This function only "
-            f" supports voxel files with version {min_version} or higher. "
-            "Please generate a new voxel file using a newer version of OpenMC."
-        )
-        raise ValueError(err_msg)
+        dimension = fh.attrs["num_voxels"]
+        width = fh.attrs["voxel_width"]
+        lower_left = fh.attrs["lower_left"]
 
-    dimension = fh.attrs["num_voxels"]
-    width = fh.attrs["voxel_width"]
-    lower_left = fh.attrs["lower_left"]
+        nx, ny, nz = dimension
 
-    nx, ny, nz = dimension
+        grid = vtk.vtkImageData()
+        grid.SetDimensions(nx + 1, ny + 1, nz + 1)
+        grid.SetOrigin(*lower_left)
+        grid.SetSpacing(*width)
 
-    grid = vtk.vtkImageData()
-    grid.SetDimensions(nx + 1, ny + 1, nz + 1)
-    grid.SetOrigin(*lower_left)
-    grid.SetSpacing(*width)
-
-    # transpose data from OpenMC ordering (zyx) to VTK ordering (xyz)
-    # and flatten to 1-D array
-    h5data = fh["data"][...]
+        # transpose data from OpenMC ordering (zyx) to VTK ordering (xyz)
+        # and flatten to 1-D array
+        h5data = fh["data"][...]
 
     data = vtk.vtkIntArray()
     data.SetName("id")
@@ -244,7 +245,7 @@ def _voxel_to_vtk(voxel_file: str, output: str = 'plot.vti'):
         writer.SetInput(grid)
     if not output.endswith(".vti"):
         output += ".vti"
-    writer.SetFileName(output)
+    writer.SetFileName(str(output))
     writer.Write()
 
     return output
@@ -584,7 +585,7 @@ class Plot(PlotBase):
 
     @type.setter
     def type(self, plottype):
-        cv.check_value('plot type', plottype, ['slice', 'voxel', 'projection'])
+        cv.check_value('plot type', plottype, ['slice', 'voxel'])
         self._type = plottype
 
     @basis.setter
@@ -903,15 +904,16 @@ class Plot(PlotBase):
         # Return produced image
         return _get_plot_image(self, cwd)
 
-    def to_voxel_file(self, output='plot.vti', openmc_exec='openmc', cwd='.'):
+    def to_vtk(self, output: Optional[PathLike] = None,
+               openmc_exec: str = 'openmc', cwd: str = '.'):
         """Render plot as an voxel image
 
         This method runs OpenMC in plotting mode to produce a .vti file.
 
         Parameters
         ----------
-        output : str
-            filename of the output vti file produced
+        output : path-like
+            Path of the output .vti file produced
         openmc_exec : str
             Path to OpenMC executable
         cwd : str, optional
@@ -919,10 +921,13 @@ class Plot(PlotBase):
 
         Returns
         -------
-        str
-            Filename of the vti file produced
+        Path
+            Path of the .vti file produced
 
         """
+        if self.type != 'voxel':
+            raise ValueError('Generating a VTK file only works for voxel plots')
+
         # Create plots.xml
         Plots([self]).export_to_xml(cwd)
 
@@ -931,8 +936,10 @@ class Plot(PlotBase):
 
         stem = self.filename if self.filename is not None else f'plot_{self.id}'
         h5_voxel_file = Path(cwd) / f'{stem}.h5'
+        if output is None:
+            output = h5_voxel_file.with_suffix('.vti')
 
-        return _voxel_to_vtk(h5_voxel_file, output)
+        return voxel_to_vtk(h5_voxel_file, output)
 
 
 class ProjectionPlot(PlotBase):
@@ -983,7 +990,7 @@ class ProjectionPlot(PlotBase):
     wireframe_domains : iterable of either Material or Cells
         If provided, the wireframe is only drawn around these.
         If color_by is by material, it must be a list of materials, else cells.
-    xs : dict 
+    xs : dict
         A mapping from cell/material IDs to floats. The floating point values
         are macroscopic cross sections influencing the volume rendering opacity
         of each geometric region. Zero corresponds to perfect transparency, and
diff --git a/tests/unit_tests/test_plots.py b/tests/unit_tests/test_plots.py
index 71ccd4a23..4e34db25e 100644
--- a/tests/unit_tests/test_plots.py
+++ b/tests/unit_tests/test_plots.py
@@ -82,17 +82,21 @@ def test_voxel_plot(run_in_tmpdir):
     vox_plot.width = (1500., 1500., 1500.)
     vox_plot.pixels = (200, 200, 200)
     vox_plot.color_by = 'cell'
-    vox_plot.to_voxel_file(output='test_voxel_plot.vti')
+    vox_plot.to_vtk('test_voxel_plot.vti')
 
     assert Path('plot_12.h5').is_file()
     assert Path('test_voxel_plot.vti').is_file()
 
     vox_plot.filename = 'h5_voxel_plot'
-    vox_plot.to_voxel_file(output='another_test_voxel_plot.vti')
+    vox_plot.to_vtk('another_test_voxel_plot.vti')
 
     assert Path('h5_voxel_plot.h5').is_file()
     assert Path('another_test_voxel_plot.vti').is_file()
 
+    slice_plot = openmc.Plot()
+    with pytest.raises(ValueError):
+        slice_plot.to_vtk('shimmy.vti')
+
 
 def test_attributes(myplot):
     assert myplot.name == 'myplot'

From 15890538a68138e22881440537622b22b89c7e8e Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <drshimwell@gmail.com>
Date: Wed, 26 Apr 2023 20:08:34 +0100
Subject: [PATCH 1838/2654] Apply suggestions from code review by @paulromano

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/plots.py             | 4 ++++
 scripts/openmc-voxel-to-vtk | 2 +-
 2 files changed, 5 insertions(+), 1 deletion(-)

diff --git a/openmc/plots.py b/openmc/plots.py
index b54b3413c..c6af5eea1 100644
--- a/openmc/plots.py
+++ b/openmc/plots.py
@@ -184,6 +184,8 @@ def _get_plot_image(plot, cwd):
 def voxel_to_vtk(voxel_file: PathLike, output: PathLike = 'plot.vti'):
     """Converts a voxel HDF5 file to a VTK file
 
+    .. versionadded:: 0.13.4
+
     Parameters
     ----------
     voxel_file : path-like
@@ -910,6 +912,8 @@ class Plot(PlotBase):
 
         This method runs OpenMC in plotting mode to produce a .vti file.
 
+        .. versionadded:: 0.13.4
+
         Parameters
         ----------
         output : path-like
diff --git a/scripts/openmc-voxel-to-vtk b/scripts/openmc-voxel-to-vtk
index 16789cb04..3f59ffd42 100755
--- a/scripts/openmc-voxel-to-vtk
+++ b/scripts/openmc-voxel-to-vtk
@@ -18,5 +18,5 @@ if __name__ == "__main__":
     )
     args = parser.parse_args()
     print("Reading and translating data...")
-    openmc.plots._voxel_to_vtk(args.voxel_file, args.output)
+    openmc.voxel_to_vtk(args.voxel_file, args.output)
     print(f"Written VTK file {args.output}...")

From f3969daa4a8cea401526cd0ad4813c53e23d10a2 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 18 Apr 2023 22:50:14 -0500
Subject: [PATCH 1839/2654] Ensure compilation with gcc 5 works (refs #2474)

---
 include/openmc/mesh.h     | 4 ++--
 include/openmc/position.h | 8 ++++++--
 2 files changed, 8 insertions(+), 4 deletions(-)

diff --git a/include/openmc/mesh.h b/include/openmc/mesh.h
index 4fdb2eb4a..cef4e0518 100644
--- a/include/openmc/mesh.h
+++ b/include/openmc/mesh.h
@@ -412,7 +412,7 @@ private:
 
   bool full_phi_ {false};
 
-  constexpr inline int sanitize_angular_index(int idx, bool full, int N) const
+  inline int sanitize_angular_index(int idx, bool full, int N) const
   {
     if ((idx > 0) and (idx <= N)) {
       return idx;
@@ -467,7 +467,7 @@ private:
   bool full_theta_ {false};
   bool full_phi_ {false};
 
-  constexpr inline int sanitize_angular_index(int idx, bool full, int N) const
+  inline int sanitize_angular_index(int idx, bool full, int N) const
   {
     if ((idx > 0) and (idx <= N)) {
       return idx;
diff --git a/include/openmc/position.h b/include/openmc/position.h
index 0200cda3b..11ea37647 100644
--- a/include/openmc/position.h
+++ b/include/openmc/position.h
@@ -216,14 +216,18 @@ using Direction = Position;
 
 } // namespace openmc
 
+namespace fmt {
+
 template<>
-struct fmt::formatter<openmc::Position> : formatter<std::string> {
+struct formatter<openmc::Position> : formatter<std::string> {
   template<typename FormatContext>
   auto format(const openmc::Position& pos, FormatContext& ctx)
   {
-    return fmt::formatter<std::string>::format(
+    return formatter<std::string>::format(
       fmt::format("({}, {}, {})", pos.x, pos.y, pos.z), ctx);
   }
 };
 
+} // namespace fmt
+
 #endif // OPENMC_POSITION_H

From 43437e941027470bb5162c61a066ca53490c5461 Mon Sep 17 00:00:00 2001
From: Lorenzo Chierici <l.chierici89@gmail.com>
Date: Fri, 28 Apr 2023 05:11:17 +0200
Subject: [PATCH 1840/2654] TransferRates (old msr continuous capabilities)
 (#2358)

---------

Co-authored-by: Jonathan Shimwell <drshimwell@gmail.com>
Co-authored-by: Olek <45364492+yardasol@users.noreply.github.com>
Co-authored-by: yardasol <yardasol@grinnell.edu>
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
Co-authored-by: Gavin Ridley <gavin.keith.ridley@gmail.com>
---
 docs/source/methods/depletion.rst             |  82 ++++++++
 docs/source/pythonapi/deplete.rst             |  16 +-
 docs/source/usersguide/depletion.rst          |  70 ++++++-
 openmc/deplete/__init__.py                    |   1 +
 openmc/deplete/abc.py                         |  37 +++-
 openmc/deplete/chain.py                       |  58 ++++++
 openmc/deplete/pool.py                        |  56 +++++-
 openmc/deplete/transfer_rates.py              | 188 ++++++++++++++++++
 .../deplete_with_transfer_rates/__init__.py   |   0
 .../ref_depletion_with_feed.h5                | Bin 0 -> 37328 bytes
 .../ref_depletion_with_removal.h5             | Bin 0 -> 37328 bytes
 .../ref_depletion_with_transfer.h5            | Bin 0 -> 37328 bytes
 .../ref_no_depletion_only_feed.h5             | Bin 0 -> 37328 bytes
 .../ref_no_depletion_only_removal.h5          | Bin 0 -> 37328 bytes
 .../ref_no_depletion_with_transfer.h5         | Bin 0 -> 37328 bytes
 .../deplete_with_transfer_rates/test.py       |  80 ++++++++
 .../unit_tests/test_deplete_transfer_rates.py | 118 +++++++++++
 17 files changed, 695 insertions(+), 11 deletions(-)
 create mode 100644 openmc/deplete/transfer_rates.py
 create mode 100644 tests/regression_tests/deplete_with_transfer_rates/__init__.py
 create mode 100644 tests/regression_tests/deplete_with_transfer_rates/ref_depletion_with_feed.h5
 create mode 100644 tests/regression_tests/deplete_with_transfer_rates/ref_depletion_with_removal.h5
 create mode 100644 tests/regression_tests/deplete_with_transfer_rates/ref_depletion_with_transfer.h5
 create mode 100644 tests/regression_tests/deplete_with_transfer_rates/ref_no_depletion_only_feed.h5
 create mode 100644 tests/regression_tests/deplete_with_transfer_rates/ref_no_depletion_only_removal.h5
 create mode 100644 tests/regression_tests/deplete_with_transfer_rates/ref_no_depletion_with_transfer.h5
 create mode 100644 tests/regression_tests/deplete_with_transfer_rates/test.py
 create mode 100644 tests/unit_tests/test_deplete_transfer_rates.py

diff --git a/docs/source/methods/depletion.rst b/docs/source/methods/depletion.rst
index 1b131bed5..87a9976dd 100644
--- a/docs/source/methods/depletion.rst
+++ b/docs/source/methods/depletion.rst
@@ -257,3 +257,85 @@ choose one of two methods for estimating the heating rate, including:
 
 The method for normalization can be chosen through the ``normalization_mode``
 argument to the :class:`openmc.deplete.CoupledOperator` class.
+
+--------------
+Transfer Rates
+--------------
+
+OpenMC allows continuous removal or feed of nuclides by adding an
+extra transfer rate term to the depletion matrix. An application of this feature
+is the chemical processing of Molten Salt Reactors (MSRs), where one can
+model the removal of fission products or feeding fresh fuel into the system.
+
+A transfer rate as defined here is the rate at which nuclides are
+continuously removed/fed from/to a material.
+
+.. note::
+
+    A transfer rate can be positive or negative, indicating removal or feed
+    respectively.
+
+Mathematically, it can be thought of as an additional term :math:`\mathbf{T}`
+in the depletion equation that is proportional to the nuclide density, which can be written as:
+
+.. math::
+
+  \begin{aligned}\frac{dN_i(t)}{dt} = &\underbrace{\sum\limits_j f_{j\rightarrow i}
+  \int_0^\infty dE  \; \sigma_j (E,t) \phi(E,t) N_j(t)  - \int_0^\infty dE \; \sigma_i(E,t)
+  \phi(E,t) N_i(t)}_\textbf{R} \\
+  &+ \underbrace{\sum_j \left [ \lambda_{j\rightarrow i} N_j(t) - \lambda_{i\rightarrow j} N_i(t) \right ]}_\textbf{D} \\
+  &- \underbrace{t_i N_i(t)}_\textbf{T} \end{aligned}
+
+where the reaction term :math:`\mathbf{R}`, the decay term :math:`\mathbf{D}`
+and the new transfer term :math:`\mathbf{T}` have been grouped together so that
+:math:`\mathbf{A} = \mathbf{R}+\mathbf{D}-\mathbf{T}`.
+The transfer rate coefficient :math:`t_i` defines the continuous transfer of the
+nuclide :math:`i`, which behaves similar to radioactive decay.
+:math:`t_i` can also be defined as the reciprocal of a cycle time
+:math:`T_{cyc}`, intended as the time needed to process the whole inventory.
+
+Note that this formulation assumes homogeneous distribution of nuclide
+:math:`i` throughout the material.
+
+A more rigorous description of removal rate and its implementation can be found
+in the paper by `Hombourger
+<https://doi.org/10.1016/j.anucene.2020.107504>`_.
+
+The resulting burnup matrix can be solved with the same integration algorithms
+that are used in the absence of the transfer term.
+
+.. note::
+
+    If no ``destination_material`` is specified, nuclides that are removed
+    or fed will not be tracked afterwards.
+
+Coupling materials
+------------------
+
+To keep track of removed nuclides or to feed nuclides from one depletable material
+to another, the respective depletion equations have to be coupled. This can be
+achieved by defining one block matrix, with diagonal blocks corresponding to
+depletion matrices :math:`\mathbf{A_{ii}}`, where the index :math:`i` indicates
+the depletable material id, and off-diagonal blocks corresponding to inter-material
+coupling matrices :math:`\mathbf{T_{ij}}`, positioned so that that the indices :math:`i` and
+:math:`j` indicate the nuclides receiving and losing materials, respectively.
+The nuclide vectors are assembled together in one single vector and the resulting
+system is solved with the same integration algorithms seen before.
+
+As an example, consider the case of two depletable materials and one
+transfer defined from material 1 to material 2. The final system will look like:
+
+.. math::
+
+  \begin{aligned}\frac{d}{dt}\begin{pmatrix}\vec{N_1}\\ \vec{N_2}\end{pmatrix} &=
+  \begin{pmatrix}\mathbf{A_{11}} & \mathbf{0}\\ \mathbf{T_{21}} & \mathbf{A_{22 }}
+  \end{pmatrix} \begin{pmatrix}\vec{N_1}\\ \vec{N_2}\end{pmatrix} \end{aligned}
+
+where:
+
+:math:`\mathbf{A_{11}} = \mathbf{R_{11}}+\mathbf{D_{11}}-\mathbf{T_{21}}`, and
+
+:math:`\mathbf{A_{22}} = \mathbf{R_{22}}+\mathbf{D_{22}}`.
+
+Note that mass conservation is guaranteed by transferring the number
+of atoms directly.
diff --git a/docs/source/pythonapi/deplete.rst b/docs/source/pythonapi/deplete.rst
index dd679a40a..dc9370ab5 100644
--- a/docs/source/pythonapi/deplete.rst
+++ b/docs/source/pythonapi/deplete.rst
@@ -54,7 +54,7 @@ provides the following transport operator classes:
    IndependentOperator
 
 The :class:`CoupledOperator` and :class:`IndependentOperator` classes must also
-have some knowledge of how nuclides transmute and decay. This is handled by the 
+have some knowledge of how nuclides transmute and decay. This is handled by the
 :class:`Chain` class.
 
 Minimal Example
@@ -195,14 +195,24 @@ total system energy.
    helpers.FissionYieldCutoffHelper
    helpers.FluxCollapseHelper
 
-The :class:`openmc.deplete.IndependentOperator` uses inner classes subclassed 
+The :class:`openmc.deplete.IndependentOperator` uses inner classes subclassed
 from those listed above to perform similar calculations.
 
+The following classes are used to define transfer rates to model continuous
+removal or feed of nuclides during depletion.
+
+.. autosummary::
+   :toctree: generated
+   :nosignatures:
+   :template: myclass.rst
+
+   transfer_rates.TransferRates
+
 Intermediate Classes
 --------------------
 
 Specific implementations of abstract base classes may utilize some of
-the same methods and data structures. These methods and data are stored 
+the same methods and data structures. These methods and data are stored
 in intermediate classes.
 
 Methods common to tally-based implementation of :class:`FissionYieldHelper`
diff --git a/docs/source/usersguide/depletion.rst b/docs/source/usersguide/depletion.rst
index a16e98ca7..439e30305 100644
--- a/docs/source/usersguide/depletion.rst
+++ b/docs/source/usersguide/depletion.rst
@@ -262,7 +262,7 @@ Loading and Generating Microscopic Cross Sections
 -------------------------------------------------
 
 As mentioned earlier, any transport code could be used to calculate one-group
-microscopic cross sections. The :mod:`openmc.deplete` module provides the 
+microscopic cross sections. The :mod:`openmc.deplete` module provides the
 :class:`~openmc.deplete.MicroXS` class, which contains methods to read in
 pre-calculated cross sections from a ``.csv`` file or from data arrays::
 
@@ -355,9 +355,9 @@ Multiple Materials
 
 A transport-independent depletion simulation using ``source-rate`` normalization
 will calculate reaction rates for each material independently. This can be
-useful for running many different cases of a particular scenario. A 
+useful for running many different cases of a particular scenario. A
 transport-independent depletion simulation using ``fission-q`` normalization
-will sum the fission energy values across all materials into :math:`Q_i` in 
+will sum the fission energy values across all materials into :math:`Q_i` in
 Equation :math:numref:`fission-q`, and Equation :math:numref:`fission-q`
 provides the flux we use to calculate the reaction rates in each material.
 This can be useful for running a scenario with multiple depletable materials
@@ -370,3 +370,67 @@ The values of the one-group microscopic cross sections passed to
 :class:`openmc.deplete.IndependentOperator` are fixed for the entire depletion
 simulation. This implicit assumption may produce inaccurate results for certain
 scenarios.
+
+Transfer Rates
+==============
+
+Transfer rates define removal or feed of nuclides to or from one or more
+depletable materials. This can be useful to model continuous fuel reprocessing,
+online fission products separation, etc.
+
+Transfer rates are defined by calling the
+:meth:`~openmc.deplete.abc.Integrator.add_transfer_rate()` method directly from
+one of the Integrator classes::
+
+    ...
+    integrator = openmc.deplete.PredictorIntegrator(op, time_steps, power)
+    integrator.add_transfer_rate(...)
+
+Defining transfer rates
+-----------------------
+
+The :meth:`~openmc.deplete.abc.Integrator.add_transfer_rate()` method requires a
+:class:`~openmc.Material` instance (alternatively, a material id or
+the name) as the depletable material from which nuclides are processed,
+a list of elements that share the same transfer rate, and a transfer rate itself.
+
+.. caution::
+
+   Make sure you set the transfer rate value with the right sign.
+   A positive transfer rate assumes removal, while a negative one assumes feed.
+
+The ``transfer_rate_units`` argument specifies the units for the transfer rate.
+The default is `1/s`, but '1/min', '1/h', '1/d' and '1/a' are also valid
+options.
+
+For example, to define continuous removal of xenon from one material with a
+removal rate value of 0.1 s\ :sup:`-1` (or a cycle time of 10 s), you'd use::
+
+    mat1 = openmc.Material(material_id=1, name='fuel')
+
+    ...
+
+    integrator = openmc.deplete.PredictorIntegrator(op, time_steps, power)
+    # by openmc.Material object
+    integrator.add_transfer_rate(mat1, ['Xe'], 0.1)
+    # or by material id
+    integrator.add_transfer_rate(1, ['Xe'], 0.1)
+    # or by material name
+    integrator.add_transfer_rate('fuel', ['Xe'], 0.1)
+
+Note that in this case the xenon isotopes that are removed will not be tracked.
+
+Defining a destination material
+-------------------------------
+
+To transfer elements from one depletable material to another, the
+``destination_material`` parameter needs to be passed to the
+:meth:`~openmc.deplete.abc.Integrator.add_transfer_rate()` method. For example,
+to transfer xenon from one material to another, you'd use::
+
+    ...
+    mat2 = openmc.Material(name='storage')
+
+    ...
+
+    integrator.add_transfer_rate(mat1, ['Xe'], 0.1, destination_material=mat2)
diff --git a/openmc/deplete/__init__.py b/openmc/deplete/__init__.py
index 329ee8b52..8a9509e90 100644
--- a/openmc/deplete/__init__.py
+++ b/openmc/deplete/__init__.py
@@ -16,6 +16,7 @@ from .atom_number import *
 from .stepresult import *
 from .results import *
 from .integrators import *
+from .transfer_rates import *
 from . import abc
 from . import cram
 from . import helpers
diff --git a/openmc/deplete/abc.py b/openmc/deplete/abc.py
index 5b405b1d5..e871eccfe 100644
--- a/openmc/deplete/abc.py
+++ b/openmc/deplete/abc.py
@@ -24,6 +24,7 @@ from .stepresult import StepResult
 from .chain import Chain
 from .results import Results
 from .pool import deplete
+from .transfer_rates import TransferRates
 
 
 __all__ = [
@@ -547,7 +548,6 @@ class Integrator(ABC):
         :attr:`solver`.
 
         .. versionadded:: 0.12
-
     Attributes
     ----------
     operator : openmc.deplete.abc.TransportOperator
@@ -574,7 +574,10 @@ class Integrator(ABC):
             * ``n1`` is a :class:`numpy.ndarray` of compositions at the
               next time step. Expected to be of the same shape as ``n0``
 
-        .. versionadded:: 0.12
+    transfer_rates : openmc.deplete.TransferRates
+        Instance of TransferRates class to perform continuous transfer during depletion
+
+        .. versionadded:: 0.13.4
 
     """
 
@@ -654,6 +657,8 @@ class Integrator(ABC):
         self.timesteps = asarray(seconds)
         self.source_rates = asarray(source_rates)
 
+        self.transfer_rates = None
+
         if isinstance(solver, str):
             # Delay importing of cram module, which requires this file
             if solver == "cram48":
@@ -704,7 +709,8 @@ class Integrator(ABC):
     def _timed_deplete(self, concs, rates, dt, matrix_func=None):
         start = time.time()
         results = deplete(
-            self._solver, self.chain, concs, rates, dt, matrix_func)
+            self._solver, self.chain, concs, rates, dt, matrix_func,
+            self.transfer_rates)
         return time.time() - start, results
 
     @abstractmethod
@@ -835,6 +841,31 @@ class Integrator(ABC):
 
         self.operator.finalize()
 
+    def add_transfer_rate(self, material, elements, transfer_rate,
+                         transfer_rate_units='1/s', destination_material=None):
+        """Add transfer rates to depletable material.
+
+        Parameters
+        ----------
+        material : openmc.Material or str or int
+            Depletable material
+        elements : list of str
+            List of strings of elements that share transfer rate
+        transfer_rate : float
+            Rate at which elements are transferred. A positive or negative values
+            set removal of feed rates, respectively.
+        destination_material : openmc.Material or str or int, Optional
+            Destination material to where nuclides get fed.
+        transfer_rate_units : {'1/s', '1/min', '1/h', '1/d', '1/a'}
+            Units for values specified in the transfer_rate argument. 's' means
+            seconds, 'min' means minutes, 'h' means hours, 'a' means Julian years.
+
+        """
+        if self.transfer_rates is None:
+            self.transfer_rates = TransferRates(self.operator, self.operator.model)
+
+        self.transfer_rates.set_transfer_rate(material, elements, transfer_rate,
+                                      transfer_rate_units, destination_material)
 
 @add_params
 class SIIntegrator(Integrator):
diff --git a/openmc/deplete/chain.py b/openmc/deplete/chain.py
index 372ed3510..5e3157f90 100644
--- a/openmc/deplete/chain.py
+++ b/openmc/deplete/chain.py
@@ -698,6 +698,64 @@ class Chain:
         dict.update(matrix_dok, matrix)
         return matrix_dok.tocsr()
 
+    def form_rr_term(self, transfer_rates, materials):
+        """Function to form the transfer rate term matrices.
+
+        .. versionadded:: 0.13.4
+
+        Parameters
+        ----------
+        transfer_rates : openmc.deplete.TransferRates
+            Instance of openmc.deplete.TransferRates
+        materials : string or two-tuple of strings
+            Two cases are possible:
+
+            1) Material ID as string:
+            Nuclide transfer only. In this case the transfer rate terms will be
+            subtracted from the respective depletion matrix
+
+            2) Two-tuple of material IDs as strings:
+            Nuclide transfer from one material into another.
+            The pair is assumed to be
+            ``(destination_material, source_material)``, where
+            ``destination_material`` and ``source_material`` are the nuclide
+            receiving and losing materials, respectively.
+            The transfer rate terms get placed in the final matrix with indexing
+            position corresponding to the ID of the materials set.
+
+        Returns
+        -------
+        scipy.sparse.csr_matrix
+            Sparse matrix representing transfer term.
+
+        """
+        matrix = defaultdict(float)
+
+        for i, nuclide in enumerate(self.nuclides):
+            element = re.split(r'\d+', nuclide.name)[0]
+            # Build transfer terms matrices
+            if isinstance(materials, str):
+                material = materials
+                if element in transfer_rates.get_elements(material):
+                    matrix[i, i] = transfer_rates.get_transfer_rate(material, element)
+                else:
+                    matrix[i, i] = 0.0
+            #Build transfer terms matrices
+            elif isinstance(materials, tuple):
+                destination_material, material = materials
+                if transfer_rates.get_destination_material(material, element) == destination_material:
+                    matrix[i, i] = transfer_rates.get_transfer_rate(material, element)
+                else:
+                    warn(f'Material {destination_material} is not defined '
+                         f'as a destination material for Material {material}. '
+                         'Setting transfer rate to 0.0')
+                    matrix[i, i] = 0.0
+            #Nothing else is allowed
+        n = len(self)
+        matrix_dok = sp.dok_matrix((n, n))
+        dict.update(matrix_dok, matrix)
+        return matrix_dok.tocsr()
+
     def get_branch_ratios(self, reaction="(n,gamma)"):
         """Return a dictionary with reaction branching ratios
 
diff --git a/openmc/deplete/pool.py b/openmc/deplete/pool.py
index aba60b558..fc006a884 100644
--- a/openmc/deplete/pool.py
+++ b/openmc/deplete/pool.py
@@ -4,6 +4,8 @@ Provided to avoid some circular imports
 """
 from itertools import repeat, starmap
 from multiprocessing import Pool
+from scipy.sparse import bmat
+import numpy as np
 
 
 # Configurable switch that enables / disables the use of
@@ -15,7 +17,8 @@ USE_MULTIPROCESSING = True
 NUM_PROCESSES = None
 
 
-def deplete(func, chain, x, rates, dt, matrix_func=None, *matrix_args):
+def deplete(func, chain, x, rates, dt, matrix_func=None, transfer_rates=None,
+            *matrix_args):
     """Deplete materials using given reaction rates for a specified time
 
     Parameters
@@ -37,7 +40,11 @@ def deplete(func, chain, x, rates, dt, matrix_func=None, *matrix_args):
         ``fission_yields = {parent: {product: yield_frac}}``
         Expected to return the depletion matrix required by
         ``func``
-    matrix_args : Any, optional
+    transfer_rates : openmc.deplete.TransferRates, Optional
+        Object to perform continuous reprocessing.
+
+        .. versionadded:: 0.13.4
+    matrix_args: Any, optional
         Additional arguments passed to matrix_func
 
     Returns
@@ -62,6 +69,51 @@ def deplete(func, chain, x, rates, dt, matrix_func=None, *matrix_args):
         matrices = map(matrix_func, repeat(chain), rates, fission_yields,
                        *matrix_args)
 
+    if transfer_rates is not None:
+        # Calculate transfer rate terms as diagonal matrices
+        transfers = map(chain.form_rr_term, repeat(transfer_rates),
+                        transfer_rates.burnable_mats)
+        # Subtract transfer rate terms from Bateman matrices
+        matrices = [matrix - transfer for (matrix, transfer) in zip(matrices,
+                                                                    transfers)]
+
+        if len(transfer_rates.index_transfer) > 0:
+            # Calculate transfer rate terms as diagonal matrices
+            transfer_pair = {
+                mat_pair: chain.form_rr_term(transfer_rates, mat_pair)
+                for mat_pair in transfer_rates.index_transfer
+            }
+
+            # Combine all matrices together in a single matrix of matrices
+            # to be solved in one go
+            n_rows = n_cols = len(transfer_rates.burnable_mats)
+            rows = []
+            for row in range(n_rows):
+                cols = []
+                for col in range(n_cols):
+                    mat_pair = (transfer_rates.burnable_mats[row],
+                                transfer_rates.burnable_mats[col])
+                    if row == col:
+                        # Fill the diagonals with the Bateman matrices
+                        cols.append(matrices[row])
+                    elif mat_pair in transfer_rates.index_transfer:
+                        # Fill the off-diagonals with the transfer pair matrices
+                        cols.append(transfer_pair[mat_pair])
+                    else:
+                        cols.append(None)
+
+                rows.append(cols)
+            matrix = bmat(rows)
+
+            # Concatenate vectors of nuclides in one
+            x_multi = np.concatenate([xx for xx in x])
+            x_result = func(matrix, x_multi, dt)
+
+            # Split back the nuclide vector result into the original form
+            x_result = np.split(x_result, np.cumsum([len(i) for i in x])[:-1])
+
+            return x_result
+
     inputs = zip(matrices, x, repeat(dt))
 
     if USE_MULTIPROCESSING:
diff --git a/openmc/deplete/transfer_rates.py b/openmc/deplete/transfer_rates.py
new file mode 100644
index 000000000..c6f0cd94d
--- /dev/null
+++ b/openmc/deplete/transfer_rates.py
@@ -0,0 +1,188 @@
+from numbers import Real
+
+from openmc.checkvalue import check_type, check_value
+from openmc import Material
+from openmc.data import ELEMENT_SYMBOL
+
+
+class TransferRates:
+    """Class for defining continuous removals and feeds.
+
+    Molten Salt Reactors (MSRs) benefit from continuous reprocessing,
+    which removes fission products and feeds fresh fuel into the system. MSRs
+    inspired the development of this class.
+
+    An instance of this class can be passed directly to an instance of one of
+    the :class:`openmc.deplete.Integrator` classes.
+
+    .. versionadded:: 0.13.4
+
+    Parameters
+    ----------
+    operator : openmc.TransportOperator
+        Depletion operator
+    model : openmc.Model
+        OpenMC model containing materials and geometry. If using
+        :class:`openmc.deplete.CoupledOperator`, the model must also contain
+        a :class:`opnemc.Settings` object.
+
+    Attributes
+    ----------
+    burnable_mats : list of str
+        All burnable material IDs.
+    transfer_rates : dict of str to dict
+        Container of transfer rates, elements and destination material
+    index_transfer : Set of pair of str
+        Pair of strings needed to build final matrix (destination_material, mat)
+    """
+
+    def __init__(self, operator, model):
+
+        self.materials = model.materials
+        self.burnable_mats = operator.burnable_mats
+
+        #initialize transfer rates container dict
+        self.transfer_rates = {mat: {} for mat in self.burnable_mats}
+        self.index_transfer = set()
+
+    def _get_material_id(self, val):
+        """Helper method for getting material id from Material obj or name.
+
+        Parameters
+        ----------
+        val : openmc.Material or str or int representing material name/id
+
+        Returns
+        -------
+        material_id : str
+
+        """
+        if isinstance(val, Material):
+            check_value('Depeletable Material', str(val.id), self.burnable_mats)
+            val = val.id
+
+        elif isinstance(val, str):
+            if val.isnumeric():
+                check_value('Material ID', str(val), self.burnable_mats)
+            else:
+                check_value('Material name', val,
+                        [mat.name for mat in self.materials if mat.depletable])
+                val = [mat.id for mat in self.materials if mat.name == val][0]
+
+        elif isinstance(val, int):
+            check_value('Material ID', str(val), self.burnable_mats)
+
+        return str(val)
+
+    def get_transfer_rate(self, material, element):
+        """Return transfer rate for given material and element.
+
+        Parameters
+        ----------
+        material : openmc.Material or str or int
+            Depletable material
+        element : str
+            Element to get transfer rate value
+
+        Returns
+        -------
+        transfer_rate : float
+            Transfer rate value
+
+        """
+        material_id = self._get_material_id(material)
+        check_value('element', element, ELEMENT_SYMBOL.values())
+        return self.transfer_rates[material_id][element][0]
+
+    def get_destination_material(self, material, element):
+        """Return destination (or transfer) material for given material and
+        element, if defined.
+
+        Parameters
+        ----------
+        material : openmc.Material or str or int
+            Depletable material
+        element : str
+            Element that gets transferred to another material.
+
+        Returns
+        -------
+        destination_material_id : str
+            Depletable material ID to where the element gets transferred
+
+        """
+        material_id = self._get_material_id(material)
+        check_value('element', element, ELEMENT_SYMBOL.values())
+        if element in self.transfer_rates[material_id]:
+            return self.transfer_rates[material_id][element][1]
+
+    def get_elements(self, material):
+        """Extract removing elements for a given material
+
+        Parameters
+        ----------
+        material : openmc.Material or str or int
+            Depletable material
+
+        Returns
+        -------
+        elements : list
+            List of elements where transfer rates exist
+
+        """
+        material_id = self._get_material_id(material)
+        if material_id in self.transfer_rates:
+            return self.transfer_rates[material_id].keys()
+
+    def set_transfer_rate(self, material, elements, transfer_rate, transfer_rate_units='1/s',
+                         destination_material=None):
+        """Set element transfer rates in a depletable material.
+
+        Parameters
+        ----------
+        material : openmc.Material or str or int
+            Depletable material
+        elements : list of str
+            List of strings of elements that share transfer rate
+        transfer_rate : float
+            Rate at which elements are transferred. A positive or negative values
+            set removal of feed rates, respectively.
+        destination_material : openmc.Material or str or int, Optional
+            Destination material to where nuclides get fed.
+        transfer_rate_units : {'1/s', '1/min', '1/h', '1/d', '1/a'}
+            Units for values specified in the transfer_rate argument. 's' means
+            seconds, 'min' means minutes, 'h' means hours, 'a' means Julian years.
+
+        """
+        material_id = self._get_material_id(material)
+        check_type('transfer_rate', transfer_rate, Real)
+
+        if destination_material is not None:
+            destination_material_id = self._get_material_id(destination_material)
+            if len(self.burnable_mats) > 1:
+                check_value('destination_material', str(destination_material_id),
+                            self.burnable_mats)
+            else:
+                raise ValueError(f'Transfer to material {destination_material_id} '\
+                        'is set, but there is only one depletable material')
+        else:
+            destination_material_id = None
+
+        if transfer_rate_units in ('1/s', '1/sec'):
+            unit_conv = 1
+        elif transfer_rate_units in ('1/min', '1/minute'):
+            unit_conv = 60
+        elif transfer_rate_units in ('1/h', '1/hr', '1/hour'):
+            unit_conv = 60*60
+        elif transfer_rate_units in ('1/d', '1/day'):
+            unit_conv = 24*60*60
+        elif transfer_rate_units in ('1/a', '1/year'):
+            unit_conv = 365.25*24*60*60
+        else:
+            raise ValueError("Invalid transfer rate unit '{}'".format(transfer_rate_units))
+
+        for element in elements:
+            check_value('element', element, ELEMENT_SYMBOL.values())
+            self.transfer_rates[material_id][element] = transfer_rate / unit_conv, destination_material_id
+            if destination_material_id is not None:
+                self.index_transfer.add((destination_material_id, material_id))
diff --git a/tests/regression_tests/deplete_with_transfer_rates/__init__.py b/tests/regression_tests/deplete_with_transfer_rates/__init__.py
new file mode 100644
index 000000000..e69de29bb
diff --git a/tests/regression_tests/deplete_with_transfer_rates/ref_depletion_with_feed.h5 b/tests/regression_tests/deplete_with_transfer_rates/ref_depletion_with_feed.h5
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diff --git a/tests/regression_tests/deplete_with_transfer_rates/ref_depletion_with_transfer.h5 b/tests/regression_tests/deplete_with_transfer_rates/ref_depletion_with_transfer.h5
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z?<E6}2Pz2!^t@@4SEKY?5uB{)eCAZTqa(eIDo$p4{r7IbOYk51g(N>$R0yGmyIqgV
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zi~u9R2rvSS03*N%FanGKBd`DjO!pJ2=4o@BepiM*uKP{hN3LYIKp&Ft4`k!RB}RY|
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zX{|eZ!w4_}i~u9R2!ui4?2c>c)5kt^<|`|D8|p7_y;1+_ub2P0b7z0U&0|OR4*d3U
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YoU63{h2(7i_;{WOU|k`po43CI0qyDW3jhEB

literal 0
HcmV?d00001

diff --git a/tests/regression_tests/deplete_with_transfer_rates/test.py b/tests/regression_tests/deplete_with_transfer_rates/test.py
new file mode 100644
index 000000000..7e20a7607
--- /dev/null
+++ b/tests/regression_tests/deplete_with_transfer_rates/test.py
@@ -0,0 +1,80 @@
+""" TransferRates depletion test suite """
+
+from pathlib import Path
+
+import numpy as np
+import pytest
+import openmc
+import openmc.deplete
+from openmc.deplete import CoupledOperator
+
+@pytest.fixture
+def model():
+    f = openmc.Material(name="f")
+    f.add_element("U", 1, percent_type="ao", enrichment=4.25)
+    f.add_element("O", 2)
+    f.set_density("g/cc", 10.4)
+
+    w = openmc.Material(name="w")
+    w.add_element("O", 1)
+    w.add_element("H", 2)
+    w.set_density("g/cc", 1.0)
+    w.depletable = True
+
+    radii = [0.42, 0.45]
+    f.volume = np.pi * radii[0] ** 2
+    w.volume = np.pi * (radii[1]**2 - radii[0]**2)
+
+    materials = openmc.Materials([f, w])
+
+    surf_f = openmc.Sphere(r=radii[0])
+    surf_w = openmc.Sphere(r=radii[1], boundary_type='reflective')
+    cell_f = openmc.Cell(fill=f, region=-surf_f)
+    cell_w = openmc.Cell(fill=w, region=+surf_f & -surf_w)
+    geometry = openmc.Geometry([cell_f, cell_w])
+
+    settings = openmc.Settings()
+    settings.particles = 100
+    settings.inactive = 0
+    settings.batches = 10
+
+    return openmc.Model(geometry, materials, settings)
+
+@pytest.mark.parametrize("rate, dest_mat, power, ref_result", [
+    (1e-5, None, 0.0, 'no_depletion_only_removal'),
+    (-1e-5, None, 0.0, 'no_depletion_only_feed'),
+    (1e-5, None, 174.0, 'depletion_with_removal'),
+    (-1e-5, None, 174.0, 'depletion_with_feed'),
+    (-1e-5, 'w', 0.0, 'no_depletion_with_transfer'),
+    (1e-5, 'w', 174.0, 'depletion_with_transfer'),
+    ])
+def test_transfer_rates(run_in_tmpdir, model, rate, dest_mat, power, ref_result):
+    """Tests transfer_rates depletion class with transfer rates"""
+
+    chain_file = Path(__file__).parents[2] / 'chain_simple.xml'
+
+    transfer_elements = ['Xe']
+
+    op = CoupledOperator(model, chain_file)
+    integrator = openmc.deplete.PredictorIntegrator(
+        op, [1], power, timestep_units = 'd')
+    integrator.add_transfer_rate('f', transfer_elements, rate,
+                                destination_material=dest_mat)
+    integrator.integrate()
+
+    # Get path to test and reference results
+    path_test = op.output_dir / 'depletion_results.h5'
+    path_reference = Path(__file__).with_name(f'ref_{ref_result}.h5')
+
+    # Load the reference/test results
+    res_ref = openmc.deplete.Results(path_reference)
+    res_test = openmc.deplete.Results(path_test)
+
+    for mat in res_test[0].rates[0].index_mat:
+        for nuc in res_test[0].rates[0].index_nuc:
+            for rx in res_test[0].rates[0].index_rx:
+                y_test = res_test.get_reaction_rate(mat, nuc, rx)[1] / \
+                    res_test.get_atoms(mat, nuc)[1]
+                y_ref = res_ref.get_reaction_rate(mat, nuc, rx)[1] / \
+                    res_ref.get_atoms(mat, nuc)[1]
+                assert y_test == pytest.approx(y_ref, abs=1e-5)
diff --git a/tests/unit_tests/test_deplete_transfer_rates.py b/tests/unit_tests/test_deplete_transfer_rates.py
new file mode 100644
index 000000000..1572755c2
--- /dev/null
+++ b/tests/unit_tests/test_deplete_transfer_rates.py
@@ -0,0 +1,118 @@
+""" Tests for TransferRates class """
+
+from pathlib import Path
+from math import exp
+
+import pytest
+import numpy as np
+
+import openmc
+from openmc.deplete import CoupledOperator
+from openmc.deplete.transfer_rates import TransferRates
+from openmc.deplete.abc import (_SECONDS_PER_MINUTE, _SECONDS_PER_HOUR,
+                                _SECONDS_PER_DAY, _SECONDS_PER_JULIAN_YEAR)
+
+CHAIN_PATH = Path(__file__).parents[1] / "chain_simple.xml"
+
+@pytest.fixture
+def model():
+    f = openmc.Material(name="f")
+    f.add_element("U", 1, percent_type="ao", enrichment=4.25)
+    f.add_element("O", 2)
+    f.set_density("g/cc", 10.4)
+
+    w = openmc.Material(name="w")
+    w.add_element("O", 1)
+    w.add_element("H", 2)
+    w.set_density("g/cc", 1.0)
+    w.depletable = True
+
+    radii = [0.42, 0.45]
+    f.volume = np.pi * radii[0] ** 2
+    w.volume = np.pi * (radii[1]**2 - radii[0]**2)
+    materials = openmc.Materials([f, w])
+
+    surf_f = openmc.Sphere(r=radii[0])
+    surf_w = openmc.Sphere(r=radii[1], boundary_type='vacuum')
+    cell_f = openmc.Cell(fill=f, region=-surf_f)
+    cell_w = openmc.Cell(fill=w, region=+surf_f & -surf_w)
+    geometry = openmc.Geometry([cell_f, cell_w])
+
+    settings = openmc.Settings()
+    settings.particles = 1000
+    settings.inactive = 10
+    settings.batches = 50
+
+    return openmc.Model(geometry, materials, settings)
+
+
+def test_get_set(model):
+    """Tests the get/set methods"""
+
+    # create transfer rates for U and Xe
+    transfer_rates = {'U': 0.01, 'Xe': 0.1}
+    op = CoupledOperator(model, CHAIN_PATH)
+    transfer = TransferRates(op, model)
+
+    # Test by Openmc material, material name and material id
+    material, dest_material = [m for m in model.materials if m.depletable]
+
+    for material_input in [material, material.name, material.id]:
+        for dest_material_input in [dest_material, dest_material.name,
+                                    dest_material.id]:
+            for element, transfer_rate in transfer_rates.items():
+                transfer.set_transfer_rate(material_input, [element], transfer_rate,
+                                 destination_material=dest_material_input)
+                assert transfer.get_transfer_rate(material_input,
+                                            element) == transfer_rate
+                assert transfer.get_destination_material(material_input,
+                                                    element) == str(dest_material.id)
+            assert transfer.get_elements(material_input) == transfer_rates.keys()
+
+
+@pytest.mark.parametrize("transfer_rate_units, unit_conv", [
+    ('1/s', 1),
+    ('1/sec', 1),
+    ('1/min', _SECONDS_PER_MINUTE),
+    ('1/minute', _SECONDS_PER_MINUTE),
+    ('1/h', _SECONDS_PER_HOUR),
+    ('1/hr', _SECONDS_PER_HOUR),
+    ('1/hour', _SECONDS_PER_HOUR),
+    ('1/d', _SECONDS_PER_DAY),
+    ('1/day', _SECONDS_PER_DAY),
+    ('1/a', _SECONDS_PER_JULIAN_YEAR),
+    ('1/year', _SECONDS_PER_JULIAN_YEAR),
+    ])
+def test_units(transfer_rate_units, unit_conv, model):
+    """ Units testing"""
+    # create transfer rate Xe
+    element = 'Xe'
+    transfer_rate = 1e-5
+    op = CoupledOperator(model, CHAIN_PATH)
+    transfer = TransferRates(op, model)
+
+    transfer.set_transfer_rate('f', [element], transfer_rate * unit_conv,
+                         transfer_rate_units=transfer_rate_units)
+    assert transfer.get_transfer_rate('f', element) == transfer_rate
+
+
+def test_transfer(run_in_tmpdir, model):
+    """Tests transfer depletion class without neither reaction rates nor decay
+    but only transfer rates"""
+
+    # create transfer rate for U
+    element = ['U']
+    transfer_rate = 1e-5
+    op = CoupledOperator(model, CHAIN_PATH)
+    integrator = openmc.deplete.PredictorIntegrator(
+        op, [1,1], 0.0, timestep_units = 'd')
+    integrator.add_transfer_rate('f', element, transfer_rate)
+    integrator.integrate()
+
+    # Get number of U238 atoms from results
+    results = openmc.deplete.Results('depletion_results.h5')
+    _, atoms = results.get_atoms(model.materials[0], "U238")
+
+    # Ensure number of atoms equal transfer decay
+    assert atoms[1] == pytest.approx(atoms[0]*exp(-transfer_rate*3600*24))
+    assert atoms[2] == pytest.approx(atoms[1]*exp(-transfer_rate*3600*24))

From 4cadcbcf029310ced0eb3e7f638259f600335238 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Fri, 28 Apr 2023 04:26:21 +0100
Subject: [PATCH 1841/2654] more flexible cross section plotting (#2478)

---------

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/plotter.py                | 193 +++++++++++++++++--------------
 tests/unit_tests/test_plotter.py |  83 ++++++++++++-
 2 files changed, 189 insertions(+), 87 deletions(-)

diff --git a/openmc/plotter.py b/openmc/plotter.py
index 0362a8d17..d8e06e4fe 100644
--- a/openmc/plotter.py
+++ b/openmc/plotter.py
@@ -1,6 +1,5 @@
 from itertools import chain
 from numbers import Integral, Real
-import string
 
 import numpy as np
 
@@ -56,7 +55,49 @@ _MAX_E = 20.e6
 ELEMENT_NAMES = list(openmc.data.ELEMENT_SYMBOL.values())[1:]
 
 
-def plot_xs(this, types, divisor_types=None, temperature=294., axis=None,
+def _get_legend_label(this, type):
+    """Gets a label for the element or nuclide or material and reaction plotted"""
+    if isinstance(this, str):
+        return f'{this} {type}'
+    elif this.name is '':
+        return f'Material {this.id} {type}'
+    else:
+        return f'{this.name} {type}'
+
+
+def _get_yaxis_label(reactions, divisor_types):
+    """Gets a y axis label for the type of data plotted"""
+
+    if all(isinstance(item, str) for item in reactions.keys()):
+        stem = 'Microscopic'
+        if divisor_types:
+            mid, units = 'Data', ''
+        else:
+            mid, units = 'Cross Section', '[b]'
+    elif all(isinstance(item, openmc.Material) for item in reactions.keys()):
+        stem = 'Macroscopic'
+        if divisor_types:
+            mid, units = 'Data', ''
+        else:
+            mid, units = 'Cross Section', '[1/cm]'
+    else:
+        msg = "Mixture of openmc.Material and elements/nuclides. Invalid type for plotting"
+        raise TypeError(msg)
+
+    return f'{stem} {mid} {units}'
+
+
+def _get_title(reactions):
+    """Gets a title for the type of data plotted"""
+    if len(reactions) == 1:
+        this, = reactions
+        name = this.name if isinstance(this, openmc.Material) else this
+        return f'Cross Section Plot For {name}'
+    else:
+        return 'Cross Section Plot'
+
+
+def plot_xs(reactions, divisor_types=None, temperature=294., axis=None,
             sab_name=None, ce_cross_sections=None, mg_cross_sections=None,
             enrichment=None, plot_CE=True, orders=None, divisor_orders=None,
             **kwargs):
@@ -64,10 +105,10 @@ def plot_xs(this, types, divisor_types=None, temperature=294., axis=None,
 
     Parameters
     ----------
-    this : str or openmc.Material
-        Object to source data from. Nuclides and elements can be input as a str
-    types : Iterable of values of PLOT_TYPES
-        The type of cross sections to include in the plot.
+    reactions : dict
+        keys can be either a nuclide or element in string form or an
+        openmc.Material object. Values are the type of cross sections to
+        include in the plot.
     divisor_types : Iterable of values of PLOT_TYPES, optional
         Cross section types which will divide those produced by types
         before plotting. A type of 'unity' can be used to effectively not
@@ -115,49 +156,6 @@ def plot_xs(this, types, divisor_types=None, temperature=294., axis=None,
     import matplotlib.pyplot as plt
 
     cv.check_type("plot_CE", plot_CE, bool)
-    cv.check_type("this", this, (str, openmc.Material))
-
-    if plot_CE:
-        # Calculate for the CE cross sections
-        E, data = calculate_cexs(this, types, temperature, sab_name,
-                                 ce_cross_sections, enrichment)
-        if divisor_types:
-            cv.check_length('divisor types', divisor_types, len(types))
-            Ediv, data_div = calculate_cexs(this, divisor_types, temperature,
-                                            sab_name, ce_cross_sections,
-                                            enrichment)
-
-            # Create a new union grid, interpolate data and data_div on to that
-            # grid, and then do the actual division
-            Enum = E[:]
-            E = np.union1d(Enum, Ediv)
-            data_new = np.zeros((len(types), len(E)))
-
-            for line in range(len(types)):
-                data_new[line, :] = \
-                    np.divide(np.interp(E, Enum, data[line, :]),
-                              np.interp(E, Ediv, data_div[line, :]))
-                if divisor_types[line] != 'unity':
-                    types[line] = types[line] + ' / ' + divisor_types[line]
-            data = data_new
-    else:
-        # Calculate for MG cross sections
-        E, data = calculate_mgxs(this, types, orders, temperature,
-                                 mg_cross_sections, ce_cross_sections,
-                                 enrichment)
-
-        if divisor_types:
-            cv.check_length('divisor types', divisor_types, len(types))
-            Ediv, data_div = calculate_mgxs(this, divisor_types,
-                                            divisor_orders, temperature,
-                                            mg_cross_sections,
-                                            ce_cross_sections, enrichment)
-
-            # Perform the division
-            for line in range(len(types)):
-                data[line, :] /= data_div[line, :]
-                if divisor_types[line] != 'unity':
-                    types[line] += ' / ' + divisor_types[line]
 
     # Generate the plot
     if axis is None:
@@ -165,18 +163,69 @@ def plot_xs(this, types, divisor_types=None, temperature=294., axis=None,
     else:
         fig = None
         ax = axis
+
+    all_types = []
+
+    for this, types in reactions.items():
+        all_types = all_types + types
+
+        if plot_CE:
+            cv.check_type("this", this, (str, openmc.Material))
+            # Calculate for the CE cross sections
+            E, data = calculate_cexs(this, types, temperature, sab_name,
+                                    ce_cross_sections, enrichment)
+            if divisor_types:
+                cv.check_length('divisor types', divisor_types, len(types))
+                Ediv, data_div = calculate_cexs(this, divisor_types, temperature,
+                                                sab_name, ce_cross_sections,
+                                                enrichment)
+
+                # Create a new union grid, interpolate data and data_div on to that
+                # grid, and then do the actual division
+                Enum = E[:]
+                E = np.union1d(Enum, Ediv)
+                data_new = np.zeros((len(types), len(E)))
+
+                for line in range(len(types)):
+                    data_new[line, :] = \
+                        np.divide(np.interp(E, Enum, data[line, :]),
+                                np.interp(E, Ediv, data_div[line, :]))
+                    if divisor_types[line] != 'unity':
+                        types[line] = types[line] + ' / ' + divisor_types[line]
+                data = data_new
+        else:
+            # Calculate for MG cross sections
+            E, data = calculate_mgxs(this, types, orders, temperature,
+                                    mg_cross_sections, ce_cross_sections,
+                                    enrichment)
+
+            if divisor_types:
+                cv.check_length('divisor types', divisor_types, len(types))
+                Ediv, data_div = calculate_mgxs(this, divisor_types,
+                                                divisor_orders, temperature,
+                                                mg_cross_sections,
+                                                ce_cross_sections, enrichment)
+
+                # Perform the division
+                for line in range(len(types)):
+                    data[line, :] /= data_div[line, :]
+                    if divisor_types[line] != 'unity':
+                        types[line] += ' / ' + divisor_types[line]
+
+        # Plot the data
+        for i in range(len(data)):
+            data[i, :] = np.nan_to_num(data[i, :])
+            if np.sum(data[i, :]) > 0.:
+                ax.plot(E, data[i, :], label=_get_legend_label(this, types[i]))
+
     # Set to loglog or semilogx depending on if we are plotting a data
     # type which we expect to vary linearly
-    if set(types).issubset(PLOT_TYPES_LINEAR):
-        plot_func = ax.semilogx
+    if set(all_types).issubset(PLOT_TYPES_LINEAR):
+        ax.set_xscale('log')
+        ax.set_yscale('linear')
     else:
-        plot_func = ax.loglog
-
-    # Plot the data
-    for i in range(len(data)):
-        data[i, :] = np.nan_to_num(data[i, :])
-        if np.sum(data[i, :]) > 0.:
-            plot_func(E, data[i, :], label=types[i])
+        ax.set_xscale('log')
+        ax.set_yscale('log')
 
     ax.set_xlabel('Energy [eV]')
     if plot_CE:
@@ -184,33 +233,9 @@ def plot_xs(this, types, divisor_types=None, temperature=294., axis=None,
     else:
         ax.set_xlim(E[-1], E[0])
 
-    if divisor_types:
-        if isinstance(this, str):
-            if this in ELEMENT_NAMES:
-                ylabel = 'Elemental Microscopic Data'
-            else:
-                ylabel = 'Nuclide Microscopic Data'
-        elif isinstance(this, openmc.Material):
-            ylabel = 'Macroscopic Data'
-        else:
-            raise TypeError("Invalid type for plotting")
-    else:
-        if isinstance(this, str):
-            if this in ELEMENT_NAMES:
-                ylabel = 'Elemental Cross Section [b]'
-            else:
-                ylabel = 'Microscopic Cross Section [b]'
-        elif isinstance(this, openmc.Material):
-            ylabel = 'Macroscopic Cross Section [1/cm]'
-        else:
-            raise TypeError("Invalid type for plotting")
-    ax.set_ylabel(ylabel)
+    ax.set_ylabel(_get_yaxis_label(reactions, divisor_types))
     ax.legend(loc='best')
-    name = this.name if isinstance(this, openmc.Material) else this
-    if len(types) > 1:
-        ax.set_title('Cross Sections for ' + name)
-    else:
-        ax.set_title('Cross Section for ' + name)
+    ax.set_title(_get_title(reactions))
 
     return fig
 
diff --git a/tests/unit_tests/test_plotter.py b/tests/unit_tests/test_plotter.py
index 8520249ba..8a1147b4a 100644
--- a/tests/unit_tests/test_plotter.py
+++ b/tests/unit_tests/test_plotter.py
@@ -11,6 +11,7 @@ def test_mat():
     mat_1.add_element("C", 4.0, "ao")
     return mat_1
 
+
 def test_calculate_cexs_elem_mat_sab(test_mat):
     """Checks that sab cross sections are included in the
     _calculate_cexs_elem_mat method and have the correct shape"""
@@ -74,9 +75,85 @@ def test_calculate_cexs_with_materials(test_mat):
 @pytest.mark.parametrize("this", ["Be", "Be9"])
 def test_plot_xs(this):
     from matplotlib.figure import Figure
-    assert isinstance(openmc.plot_xs(this, types=['total']), Figure)
-
+    assert isinstance(openmc.plot_xs({this: ['total', 'elastic']}), Figure)
 
 def test_plot_xs_mat(test_mat):
     from matplotlib.figure import Figure
-    assert isinstance(openmc.plot_xs(test_mat, types=['total']), Figure)
+    assert isinstance(openmc.plot_xs({test_mat: ['total']}), Figure)
+
+def test_plot_axes_labels():
+    # just nuclides
+    axis_label = openmc.plotter._get_yaxis_label(
+        reactions={
+            'Li6': [205],
+            'Li7': [205],
+        }, divisor_types=False
+    )
+    assert axis_label == 'Microscopic Cross Section [b]'
+
+    # just elements
+    axis_label = openmc.plotter._get_yaxis_label(
+        reactions={
+            'Li': [205],
+            'Be': [16],
+        }, divisor_types=False
+    )
+    assert axis_label == 'Microscopic Cross Section [b]'
+
+    # mixed nuclide and element
+    axis_label = openmc.plotter._get_yaxis_label(
+        reactions={
+            'Li': [205],
+            'Li7': [205],
+        }, divisor_types=False
+    )
+    assert axis_label == 'Microscopic Cross Section [b]'
+
+    # just materials
+    mat1 = openmc.Material()
+    mat1.add_nuclide('Fe56', 1)
+    mat1.set_density('g/cm3', 1)
+    mat2 = openmc.Material()
+    mat2.add_element('Fe', 1)
+    mat2.add_nuclide('Fe55', 1)
+    mat2.set_density('g/cm3', 1)
+    axis_label = openmc.plotter._get_yaxis_label(
+        reactions={
+            mat1: [205],
+            mat2: [16],
+        }, divisor_types=False
+    )
+    assert axis_label == 'Macroscopic Cross Section [1/cm]'
+
+    # mixed materials and nuclides
+    with pytest.raises(TypeError):
+        openmc.plotter._get_yaxis_label(
+            reactions={'Li6': [205], mat2: [16]},
+            divisor_types=False
+        )
+
+    # mixed materials and elements
+    with pytest.raises(TypeError):
+        openmc.plotter._get_yaxis_label(
+            reactions={'Li': [205], mat2: [16]},
+            divisor_types=False
+        )
+
+
+def test_get_title():
+    title = openmc.plotter._get_title(reactions={'Li': [205]})
+    assert title == 'Cross Section Plot For Li'
+    title = openmc.plotter._get_title(reactions={'Li6': [205]})
+    assert title == 'Cross Section Plot For Li6'
+    title = openmc.plotter._get_title(reactions={
+        'Li6': [205],
+        'Li7': [205]
+    })
+    assert title == 'Cross Section Plot'
+
+    mat1 = openmc.Material()
+    mat1.add_nuclide('Fe56', 1)
+    mat1.set_density('g/cm3', 1)
+    mat1.name = 'my_mat'
+    title = openmc.plotter._get_title(reactions={mat1: [205]})
+    assert title == 'Cross Section Plot For my_mat'
\ No newline at end of file

From dea5e46c3c2fe79e000cf53ccabd7ddeb27af709 Mon Sep 17 00:00:00 2001
From: Huw Rhys Jones <43721202+dubway420@users.noreply.github.com>
Date: Tue, 2 May 2023 00:51:34 +0100
Subject: [PATCH 1842/2654] Update neutron_physics.rst (#2504)

---
 docs/source/methods/neutron_physics.rst | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/docs/source/methods/neutron_physics.rst b/docs/source/methods/neutron_physics.rst
index f1b0a5bde..70ace4a35 100644
--- a/docs/source/methods/neutron_physics.rst
+++ b/docs/source/methods/neutron_physics.rst
@@ -91,7 +91,7 @@ inelastic scattering reactions. The specific multi-group scattering
 implementation is discussed in the :ref:`multi-group-scatter` section.
 
 Elastic scattering refers to the process by which a neutron scatters off a
-nucleus and does not leave it in an excited. It is referred to as "elastic"
+nucleus and does not leave it in an excited state. It is referred to as "elastic"
 because in the center-of-mass system, the neutron does not actually lose
 energy. However, in lab coordinates, the neutron does indeed lose
 energy. Elastic scattering can be treated exactly in a Monte Carlo code thanks

From 0a950eb6236c1524e128a4a4f60114611367e085 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Mon, 1 May 2023 22:00:45 -0500
Subject: [PATCH 1843/2654] Reworking Tally::add_filter a bit (#2501)

---
 include/openmc/tallies/tally.h      |  2 +-
 src/tallies/tally.cpp               | 29 +++++++++------
 tests/cpp_unit_tests/CMakeLists.txt |  1 +
 tests/cpp_unit_tests/test_tally.cpp | 55 +++++++++++++++++++++++++++++
 4 files changed, 75 insertions(+), 12 deletions(-)
 create mode 100644 tests/cpp_unit_tests/test_tally.cpp

diff --git a/include/openmc/tallies/tally.h b/include/openmc/tallies/tally.h
index 56a51370a..e840a0aa1 100644
--- a/include/openmc/tallies/tally.h
+++ b/include/openmc/tallies/tally.h
@@ -67,7 +67,7 @@ public:
   //----------------------------------------------------------------------------
   // Other methods.
 
-  void add_filter(Filter* filter) { set_filters({&filter, 1}); }
+  void add_filter(Filter* filter);
 
   void init_triggers(pugi::xml_node node);
 
diff --git a/src/tallies/tally.cpp b/src/tallies/tally.cpp
index 0610c8cf1..e29384772 100644
--- a/src/tallies/tally.cpp
+++ b/src/tallies/tally.cpp
@@ -364,20 +364,27 @@ void Tally::set_filters(gsl::span<Filter*> filters)
   auto n = filters.size();
   filters_.reserve(n);
 
-  for (int i = 0; i < n; ++i) {
-    // Add index to vector of filters
-    auto& f {filters[i]};
-    filters_.push_back(model::filter_map.at(f->id()));
-
-    // Keep track of indices for special filters.
-    if (dynamic_cast<const EnergyoutFilter*>(f)) {
-      energyout_filter_ = i;
-    } else if (dynamic_cast<const DelayedGroupFilter*>(f)) {
-      delayedgroup_filter_ = i;
-    }
+  for (auto* filter : filters) {
+    add_filter(filter);
   }
 }
 
+void Tally::add_filter(Filter* filter)
+{
+  int32_t filter_idx = model::filter_map.at(filter->id());
+  // if this filter is already present, do nothing and return
+  if (std::find(filters_.begin(), filters_.end(), filter_idx) != filters_.end())
+    return;
+
+  // Keep track of indices for special filters
+  if (dynamic_cast<const EnergyoutFilter*>(filter)) {
+    energyout_filter_ = filters_.size();
+  } else if (dynamic_cast<const DelayedGroupFilter*>(filter)) {
+    delayedgroup_filter_ = filters_.size();
+  }
+  filters_.push_back(filter_idx);
+}
+
 void Tally::set_strides()
 {
   // Set the strides.  Filters are traversed in reverse so that the last filter
diff --git a/tests/cpp_unit_tests/CMakeLists.txt b/tests/cpp_unit_tests/CMakeLists.txt
index e017b8700..50ae9a208 100644
--- a/tests/cpp_unit_tests/CMakeLists.txt
+++ b/tests/cpp_unit_tests/CMakeLists.txt
@@ -1,6 +1,7 @@
 set(TEST_NAMES
   test_distribution
   test_file_utils
+  test_tally
   # Add additional unit test files here
 )
 
diff --git a/tests/cpp_unit_tests/test_tally.cpp b/tests/cpp_unit_tests/test_tally.cpp
new file mode 100644
index 000000000..964d30cc4
--- /dev/null
+++ b/tests/cpp_unit_tests/test_tally.cpp
@@ -0,0 +1,55 @@
+#include "openmc/tallies/tally.h"
+#include <catch2/catch_test_macros.hpp>
+
+using namespace openmc;
+
+TEST_CASE("Test add/set_filter")
+{
+  // create a new tally object
+  Tally* tally = Tally::create();
+
+  // create a new particle filter
+  Filter* particle_filter = Filter::create("particle");
+
+  // add the particle filter to the tally
+  tally->add_filter(particle_filter);
+
+  // the filter should be added to the tally
+  REQUIRE(tally->filters().size() == 1);
+  REQUIRE(model::filter_map[particle_filter->id()] == tally->filters(0));
+
+  // add the particle filter to the tally again
+  tally->add_filter(particle_filter);
+  // the tally should have the same number of filters
+  REQUIRE(tally->filters().size() == 1);
+
+  // create a cell filter
+  Filter* cell_filter = Filter::create("cell");
+  tally->add_filter(cell_filter);
+
+  // now the size of the filters should have increased
+  REQUIRE(tally->filters().size() == 2);
+  REQUIRE(model::filter_map[cell_filter->id()] == tally->filters(1));
+
+  // if we set the filters explicitly there shouldn't be extra filters hanging
+  // around
+  tally->set_filters({&cell_filter, 1});
+
+  REQUIRE(tally->filters().size() == 1);
+  REQUIRE(model::filter_map[cell_filter->id()] == tally->filters(0));
+
+  // set filters again using both filters
+  std::vector<Filter*> filters = {cell_filter, particle_filter};
+  tally->set_filters(filters);
+
+  REQUIRE(tally->filters().size() == 2);
+  REQUIRE(model::filter_map[cell_filter->id()] == tally->filters(0));
+  REQUIRE(model::filter_map[particle_filter->id()] == tally->filters(1));
+
+  // set filters with a duplicate filter, should only add the filter to the tally once
+  filters = {cell_filter, cell_filter};
+  tally->set_filters(filters);
+  REQUIRE(tally->filters().size() == 1);
+  REQUIRE(model::filter_map[cell_filter->id()] == tally->filters(0));
+
+}
\ No newline at end of file

From 4248beff1b51cf6d650e95a51769b0dac67f8274 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Tue, 2 May 2023 17:41:25 +0100
Subject: [PATCH 1844/2654] Auto origin and width for plots (#2492)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/bounding_box.py            |  6 ++++++
 openmc/universe.py                | 32 ++++++++++++++++++++++++++-----
 tests/unit_tests/test_universe.py | 19 +++++++++++++++++-
 3 files changed, 51 insertions(+), 6 deletions(-)

diff --git a/openmc/bounding_box.py b/openmc/bounding_box.py
index d2a499092..331e831f1 100644
--- a/openmc/bounding_box.py
+++ b/openmc/bounding_box.py
@@ -27,6 +27,8 @@ class BoundingBox(tuple):
         The x, y, z coordinates of the upper right corner of the bounding box in [cm]
     volume : float
         The volume of the bounding box in [cm^3]
+    width : iterable of float
+        The width of the x, y and z axis in [cm]
     """
 
     def __new__(cls, lower_left: Iterable[float], upper_right: Iterable[float]):
@@ -55,3 +57,7 @@ class BoundingBox(tuple):
     @property
     def volume(self) -> float:
         return np.abs(np.prod(self[1] - self[0]))
+
+    @property
+    def width(self):
+        return self.upper_right - self.lower_left
diff --git a/openmc/universe.py b/openmc/universe.py
index 3984a0a61..afe360094 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -300,7 +300,7 @@ class Universe(UniverseBase):
     _default_legend_kwargs = {'bbox_to_anchor': (
         1.05, 1), 'loc': 2, 'borderaxespad': 0.0}
 
-    def plot(self, origin=(0., 0., 0.), width=(1., 1.), pixels=(200, 200),
+    def plot(self, origin=None, width=None, pixels=(200, 200),
              basis='xy', color_by='cell', colors=None, seed=None,
              openmc_exec='openmc', axes=None, legend=False,
              legend_kwargs=_default_legend_kwargs, outline=False,
@@ -309,10 +309,16 @@ class Universe(UniverseBase):
 
         Parameters
         ----------
-        origin : Iterable of float
-            Coordinates at the origin of the plot
-        width : Iterable of float
-            Width of the plot in each basis direction
+        origin : iterable of float
+            Coordinates at the origin of the plot, if left as None then the
+            universe.bounding_box.center will be used to attempt to
+            ascertain the origin. Defaults to (0, 0, 0) if the bounding_box
+            contains inf values
+        width : iterable of float
+            Width of the plot in each basis direction. If left as none then the
+            universe.bounding_box.width() will be used to attempt to
+            ascertain the plot width.  Defaults to (10, 10) if the bounding_box
+            contains inf values
         pixels : Iterable of int
             Number of pixels to use in each basis direction
         basis : {'xy', 'xz', 'yz'}
@@ -373,6 +379,22 @@ class Universe(UniverseBase):
         elif basis == 'xz':
             x, y = 0, 2
             xlabel, ylabel = 'x [cm]', 'z [cm]'
+
+        # checks to see if bounding box contains -inf or inf values
+        if True in np.isinf(self.bounding_box):
+            if origin is None:
+                origin = (0, 0, 0)
+            if width is None:
+                width = (10, 10)
+        else:
+            if origin is None:
+                origin = self.bounding_box.center
+            if width is None:
+                bb_width = self.bounding_box.width
+                x_width = bb_width['xyz'.index(basis[0])]
+                y_width = bb_width['xyz'.index(basis[1])]
+                width = (x_width, y_width)
+
         x_min = origin[x] - 0.5*width[0]
         x_max = origin[x] + 0.5*width[0]
         y_min = origin[y] - 0.5*width[1]
diff --git a/tests/unit_tests/test_universe.py b/tests/unit_tests/test_universe.py
index cb4f2b703..fc92de9c7 100644
--- a/tests/unit_tests/test_universe.py
+++ b/tests/unit_tests/test_universe.py
@@ -48,8 +48,9 @@ def test_bounding_box():
     assert_unbounded(u)
 
 
-def test_plot(run_in_tmpdir):
+def test_plot(run_in_tmpdir, sphere_model):
 
+    # model with -inf and inf in the bounding box
     pincell = openmc.examples.pwr_pin_cell()
     materials = pincell.materials
 
@@ -69,6 +70,22 @@ def test_plot(run_in_tmpdir):
             outline=True
         )
 
+    # model with no inf values in bounding box
+    m = sphere_model.materials[0]
+    univ = sphere_model.geometry.root_universe
+
+    colors = {m: 'limegreen'}
+
+    for basis in ('xy', 'yz', 'xz'):
+        univ.plot(
+            colors=colors,
+            color_by="cell",
+            legend=False,
+            pixels=(10, 10),
+            basis=basis,
+            outline=False
+        )
+
 
 def test_get_nuclides(uo2):
     c = openmc.Cell(fill=uo2)

From 45006584ca1e770273a55b5fdccc15ea0ea18032 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 3 May 2023 09:52:40 -0500
Subject: [PATCH 1845/2654] Fix meaning of "masking" for plots (#2510)

---
 openmc/plots.py                               | 35 ++++++++++++++++---
 openmc/plotter.py                             |  2 +-
 src/plot.cpp                                  | 14 +++++---
 tests/regression_tests/plot/results_true.dat  |  2 +-
 .../plot_overlaps/results_true.dat            |  2 +-
 .../plot_projections/results_true.dat         |  2 +-
 6 files changed, 44 insertions(+), 13 deletions(-)

diff --git a/openmc/plots.py b/openmc/plots.py
index c6af5eea1..67b65440a 100644
--- a/openmc/plots.py
+++ b/openmc/plots.py
@@ -270,7 +270,7 @@ class PlotBase(IDManagerMixin):
         Name of the plot
     pixels : Iterable of int
         Number of pixels to use in each direction
-    filename :
+    filename : str
         Path to write the plot to
     color_by : {'cell', 'material'}
         Indicate whether the plot should be colored by cell or by material
@@ -279,7 +279,7 @@ class PlotBase(IDManagerMixin):
     mask_components : Iterable of openmc.Cell or openmc.Material or int
         The cells or materials (or corresponding IDs) to mask
     mask_background : Iterable of int or str
-        Color to apply to all cells/materials not listed in mask_components
+        Color to apply to all cells/materials listed in mask_components
     show_overlaps : bool
         Indicate whether or not overlapping regions are shown
     overlap_color : Iterable of int or str
@@ -515,7 +515,7 @@ class PlotBase(IDManagerMixin):
 
 
 class Plot(PlotBase):
-    '''Definition of a finite region of space to be plotted.
+    """Definition of a finite region of space to be plotted.
 
     OpenMC is capable of generating two-dimensional slice plots, or
     three-dimensional voxel or projection plots. Colors that are used in plots can be given as
@@ -531,6 +531,33 @@ class Plot(PlotBase):
 
     Attributes
     ----------
+    id : int
+        Unique identifier
+    name : str
+        Name of the plot
+    pixels : Iterable of int
+        Number of pixels to use in each direction
+    filename : str
+        Path to write the plot to
+    color_by : {'cell', 'material'}
+        Indicate whether the plot should be colored by cell or by material
+    background : Iterable of int or str
+        Color of the background
+    mask_components : Iterable of openmc.Cell or openmc.Material or int
+        The cells or materials (or corresponding IDs) to mask
+    mask_background : Iterable of int or str
+        Color to apply to all cells/materials listed in mask_components
+    show_overlaps : bool
+        Indicate whether or not overlapping regions are shown
+    overlap_color : Iterable of int or str
+        Color to apply to overlapping regions
+    colors : dict
+        Dictionary indicating that certain cells/materials should be
+        displayed with a particular color. The keys can be of type
+        :class:`~openmc.Cell`, :class:`~openmc.Material`, or int (ID for a
+        cell/material).
+    level : int
+        Universe depth to plot at
     width : Iterable of float
         Width of the plot in each basis direction
     origin : tuple or list of ndarray
@@ -543,7 +570,7 @@ class Plot(PlotBase):
         Dictionary defining type, id, linewidth and color of a mesh to be
         plotted on top of a plot
 
-    '''
+    """
 
     def __init__(self, plot_id=None, name=''):
         super().__init__(plot_id, name)
diff --git a/openmc/plotter.py b/openmc/plotter.py
index d8e06e4fe..193ba9cbe 100644
--- a/openmc/plotter.py
+++ b/openmc/plotter.py
@@ -59,7 +59,7 @@ def _get_legend_label(this, type):
     """Gets a label for the element or nuclide or material and reaction plotted"""
     if isinstance(this, str):
         return f'{this} {type}'
-    elif this.name is '':
+    elif this.name == '':
         return f'Material {this.id} {type}'
     else:
         return f'{this.name} {type}'
diff --git a/src/plot.cpp b/src/plot.cpp
index 1f629e901..b4c8cad16 100644
--- a/src/plot.cpp
+++ b/src/plot.cpp
@@ -5,8 +5,8 @@
 #include <fstream>
 #include <sstream>
 
-#include "xtensor/xview.hpp"
 #include "xtensor/xmanipulation.hpp"
+#include "xtensor/xview.hpp"
 #include <fmt/core.h>
 #include <fmt/ostream.h>
 #ifdef USE_LIBPNG
@@ -14,6 +14,7 @@
 #endif
 
 #include "openmc/constants.h"
+#include "openmc/container_util.h"
 #include "openmc/dagmc.h"
 #include "openmc/error.h"
 #include "openmc/file_utils.h"
@@ -647,7 +648,7 @@ void PlottableInterface::set_mask(pugi::xml_node plot_node)
 
       // Alter colors based on mask information
       for (int j = 0; j < colors_.size(); j++) {
-        if (std::find(iarray.begin(), iarray.end(), j) == iarray.end()) {
+        if (contains(iarray, j)) {
           if (check_for_node(mask_node, "background")) {
             vector<int> bg_rgb = get_node_array<int>(mask_node, "background");
             colors_[j] = bg_rgb;
@@ -1306,12 +1307,15 @@ void ProjectionPlot::create_output() const
             bool inside_cell = false;
 
             int32_t i_surface = std::abs(p.surface()) - 1;
-            if (i_surface > 0 && model::surfaces[i_surface]->geom_type_ == GeometryType::DAG) {
+            if (i_surface > 0 &&
+                model::surfaces[i_surface]->geom_type_ == GeometryType::DAG) {
 #ifdef DAGMC
-              int32_t i_cell = next_cell(i_surface, p.cell_last(p.n_coord() - 1), p.lowest_coord().universe);
+              int32_t i_cell = next_cell(i_surface,
+                p.cell_last(p.n_coord() - 1), p.lowest_coord().universe);
               inside_cell = i_cell >= 0;
 #else
-              fatal_error("Not compiled for DAGMC, but somehow you have a DAGCell!");
+              fatal_error(
+                "Not compiled for DAGMC, but somehow you have a DAGCell!");
 #endif
             } else {
               inside_cell = exhaustive_find_cell(p);
diff --git a/tests/regression_tests/plot/results_true.dat b/tests/regression_tests/plot/results_true.dat
index 9174202fb..1be60ad4f 100644
--- a/tests/regression_tests/plot/results_true.dat
+++ b/tests/regression_tests/plot/results_true.dat
@@ -1 +1 @@
-f85c20735a0c08525fe48b19a8e075c074539ee6c8860268fa0cb515d842496b7086e5b94305ef78dcf2106bb193abdf438259ac8ff1d0245a2782eb6f5af873
\ No newline at end of file
+6385d2969ed54d47a09f75112595fc034a16f551346c92d87ed9e7841881baaee8e56190c347e97c3f919ef677bb5b858960d60fe985a00e2848a3bfbef7a12b
\ No newline at end of file
diff --git a/tests/regression_tests/plot_overlaps/results_true.dat b/tests/regression_tests/plot_overlaps/results_true.dat
index cb04daaa4..93ee6769f 100644
--- a/tests/regression_tests/plot_overlaps/results_true.dat
+++ b/tests/regression_tests/plot_overlaps/results_true.dat
@@ -1 +1 @@
-926065ceb2a9b8292fe6270317c38c4373473cfea19d2a8392a32e5ece8e314c04b9f032921d987bd195ae4b6f674d359b0e38302e6ae4c93b4ac9573a384ac6
\ No newline at end of file
+125ce40fbff3e02e7f5f36a92a2e37abce9407154c825b6617242a4685dfc33c63041145b1f3114334338fbb86188331195ddc319ffce58fab2943d8e60f6da3
\ No newline at end of file
diff --git a/tests/regression_tests/plot_projections/results_true.dat b/tests/regression_tests/plot_projections/results_true.dat
index a2cb57b1e..1a67da300 100644
--- a/tests/regression_tests/plot_projections/results_true.dat
+++ b/tests/regression_tests/plot_projections/results_true.dat
@@ -1 +1 @@
-6448093f8acaa2af02452ec1b29461ffaf89628bb002cc8873a3a6831fe5d613645a197033597e5a064896388f19d0782f05e78ce474354ae2a76c35ff4551d7
\ No newline at end of file
+24fb0f41ee018ea086962dbd6bcd0b536d11d4b34644bfef4f0e74f8b462fe41a84af39c7ff79046d5d7cfe209084eac54712fa0ec01038e97eb43df1abd0334
\ No newline at end of file

From e3d8982bb91d82a338484e554a656fa2df959d79 Mon Sep 17 00:00:00 2001
From: Yue JIN <40021217+kingyue737@users.noreply.github.com>
Date: Thu, 4 May 2023 21:13:00 +0800
Subject: [PATCH 1846/2654] docs: typo fix (#2514)

Co-authored-by: Jonathan Shimwell <drshimwell@gmail.com>
---
 openmc/settings.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/settings.py b/openmc/settings.py
index 516cbbc4a..aa4276cd5 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -163,7 +163,7 @@ class Settings:
     statepoint : dict
         Options for writing state points. Acceptable keys are:
 
-        :batches: list of batches at which to write source
+        :batches: list of batches at which to write statepoint files
     surf_source_read : dict
         Options for reading surface source points. Acceptable keys are:
 

From 1cb22075efdb90570f233a3d26151f7b763f8529 Mon Sep 17 00:00:00 2001
From: Patrick Myers <90068356+myerspat@users.noreply.github.com>
Date: Tue, 9 May 2023 11:41:04 -0400
Subject: [PATCH 1847/2654] Changed xml to lxml (#2489)

---
 docs/requirements-rtd.txt                     |    1 +
 openmc/_xml.py                                |    6 +-
 openmc/cell.py                                |    6 +-
 openmc/data/library.py                        |    2 +-
 openmc/deplete/chain.py                       |   16 +-
 openmc/deplete/nuclide.py                     |   25 +-
 openmc/element.py                             |    2 +-
 openmc/filter.py                              |   14 +-
 openmc/filter_expansion.py                    |   10 +-
 openmc/geometry.py                            |    4 +-
 openmc/lattice.py                             |    8 +-
 openmc/material.py                            |   12 +-
 openmc/mesh.py                                |   28 +-
 openmc/model/model.py                         |   10 +-
 openmc/plots.py                               |   16 +-
 openmc/settings.py                            |    4 +-
 openmc/source.py                              |    6 +-
 openmc/stats/multivariate.py                  |   38 +-
 openmc/stats/univariate.py                    |   34 +-
 openmc/surface.py                             |   12 +-
 openmc/tallies.py                             |    8 +-
 openmc/tally_derivative.py                    |    6 +-
 openmc/trigger.py                             |    6 +-
 openmc/universe.py                            |    6 +-
 openmc/volume.py                              |    6 +-
 openmc/weight_windows.py                      |    8 +-
 .../adj_cell_rotation/inputs_true.dat         |   32 +-
 .../asymmetric_lattice/inputs_true.dat        |  286 +--
 .../cpp_driver/inputs_true.dat                |   36 +-
 .../create_fission_neutrons/inputs_true.dat   |   22 +-
 .../dagmc/external/inputs_true.dat            |   14 +-
 .../dagmc/legacy/inputs_true.dat              |   14 +-
 .../dagmc/refl/inputs_true.dat                |    2 +-
 .../dagmc/universes/inputs_true.dat           |   50 +-
 .../dagmc/uwuw/inputs_true.dat                |    2 +-
 .../last_step_reference_materials.xml         | 1804 ++++++++---------
 .../diff_tally/inputs_true.dat                |  344 ++--
 .../distribmat/inputs_true.dat                |   32 +-
 .../eigenvalue_genperbatch/inputs_true.dat    |    8 +-
 .../energy_cutoff/inputs_true.dat             |   20 +-
 .../energy_laws/inputs_true.dat               |   16 +-
 .../external_moab/inputs_true.dat             |   66 +-
 .../filter_cellinstance/inputs_true.dat       |   32 +-
 .../filter_energyfun/inputs_true.dat          |    8 +-
 .../filter_mesh/inputs_true.dat               |   32 +-
 .../filter_translations/inputs_true.dat       |   32 +-
 .../fixed_source/inputs_true.dat              |   10 +-
 .../iso_in_lab/inputs_true.dat                |  334 +--
 .../lattice_hex_coincident/inputs_true.dat    |   76 +-
 .../lattice_hex_x/inputs_true.dat             |   96 +-
 .../lattice_multiple/inputs_true.dat          |   38 +-
 .../lattice_rotated/inputs_true.dat           |   42 +-
 .../regression_tests/mg_basic/inputs_true.dat |   52 +-
 .../mg_basic_delayed/inputs_true.dat          |   50 +-
 .../mg_convert/inputs_true.dat                |   14 +-
 .../mg_legendre/inputs_true.dat               |   10 +-
 .../mg_max_order/inputs_true.dat              |   10 +-
 .../mg_survival_biasing/inputs_true.dat       |   10 +-
 .../mg_tallies/inputs_true.dat                |   10 +-
 .../mgxs_library_ce_to_mg/inputs_true.dat     |   52 +-
 .../inputs_true.dat                           |   52 +-
 .../mgxs_library_condense/inputs_true.dat     |   52 +-
 .../mgxs_library_correction/inputs_true.dat   |   52 +-
 .../mgxs_library_distribcell/inputs_true.dat  |   60 +-
 .../mgxs_library_hdf5/inputs_true.dat         |   52 +-
 .../mgxs_library_histogram/inputs_true.dat    |   52 +-
 .../mgxs_library_mesh/inputs_true.dat         |   32 +-
 .../mgxs_library_no_nuclides/inputs_true.dat  |   52 +-
 .../mgxs_library_nuclides/inputs_true.dat     |   52 +-
 .../inputs_true.dat                           |   52 +-
 .../adj_cell_rotation_inputs_true.dat         |   32 +-
 .../model_xml/energy_laws_inputs_true.dat     |   16 +-
 .../model_xml/inputs_true.dat                 |   20 +-
 .../lattice_multiple_inputs_true.dat          |   38 +-
 .../photon_production_inputs_true.dat         |   20 +-
 .../multipole/inputs_true.dat                 |   30 +-
 .../regression_tests/ncrystal/inputs_true.dat |   14 +-
 .../regression_tests/periodic/inputs_true.dat |   30 +-
 .../periodic_6fold/inputs_true.dat            |   24 +-
 .../periodic_hex/inputs_true.dat              |   18 +-
 .../photon_production/inputs_true.dat         |   20 +-
 .../photon_production_fission/inputs_true.dat |    8 +-
 .../photon_source/inputs_true.dat             |   16 +-
 .../resonance_scattering/inputs_true.dat      |   14 +-
 .../salphabeta/inputs_true.dat                |   68 +-
 .../score_current/inputs_true.dat             |   32 +-
 tests/regression_tests/source/inputs_true.dat |   66 +-
 .../source_dlopen/inputs_true.dat             |   16 +-
 .../inputs_true.dat                           |   16 +-
 .../surface_source/inputs_true_read.dat       |   16 +-
 .../surface_source/inputs_true_write.dat      |   16 +-
 .../surface_tally/inputs_true.dat             |   32 +-
 .../regression_tests/tallies/inputs_true.dat  |  334 +--
 .../tally_aggregation/inputs_true.dat         |   34 +-
 .../tally_arithmetic/inputs_true.dat          |   24 +-
 .../tally_slice_merge/inputs_true.dat         |  334 +--
 tests/regression_tests/torus/inputs_true.dat  |   34 +-
 .../torus/large_major/inputs_true.dat         |   20 +-
 .../inputs_true.dat                           |    8 +-
 tests/regression_tests/triso/inputs_true.dat  |  788 +++----
 .../unstructured_mesh/inputs_true.dat         |   66 +-
 .../unstructured_mesh/inputs_true0.dat        |   66 +-
 .../unstructured_mesh/inputs_true1.dat        |   66 +-
 .../unstructured_mesh/inputs_true10.dat       |   66 +-
 .../unstructured_mesh/inputs_true11.dat       |   66 +-
 .../unstructured_mesh/inputs_true12.dat       |   66 +-
 .../unstructured_mesh/inputs_true13.dat       |   66 +-
 .../unstructured_mesh/inputs_true14.dat       |   66 +-
 .../unstructured_mesh/inputs_true15.dat       |   66 +-
 .../unstructured_mesh/inputs_true2.dat        |   66 +-
 .../unstructured_mesh/inputs_true3.dat        |   66 +-
 .../unstructured_mesh/inputs_true4.dat        |   68 +-
 .../unstructured_mesh/inputs_true5.dat        |   68 +-
 .../unstructured_mesh/inputs_true6.dat        |   68 +-
 .../unstructured_mesh/inputs_true7.dat        |   68 +-
 .../unstructured_mesh/inputs_true8.dat        |   66 +-
 .../unstructured_mesh/inputs_true9.dat        |   66 +-
 tests/regression_tests/void/inputs_true.dat   |  206 +-
 .../volume_calc/inputs_true.dat               |   38 +-
 .../volume_calc/inputs_true_mg.dat            |   36 +-
 .../weightwindows/inputs_true.dat             |   48 +-
 tests/unit_tests/test_cell.py                 |    2 +-
 tests/unit_tests/test_deplete_nuclide.py      |    4 +-
 tests/unit_tests/test_geometry.py             |    2 +-
 tests/unit_tests/test_lattice.py              |    2 +-
 tests/unit_tests/test_universe.py             |    2 +-
 126 files changed, 4023 insertions(+), 4043 deletions(-)

diff --git a/docs/requirements-rtd.txt b/docs/requirements-rtd.txt
index 9591d482f..df0333517 100644
--- a/docs/requirements-rtd.txt
+++ b/docs/requirements-rtd.txt
@@ -10,3 +10,4 @@ h5py
 pandas
 uncertainties
 matplotlib
+lxml
diff --git a/openmc/_xml.py b/openmc/_xml.py
index 78bcbc264..b40ecb258 100644
--- a/openmc/_xml.py
+++ b/openmc/_xml.py
@@ -43,7 +43,7 @@ def get_text(elem, name, default=None):
 
     Parameters
     ----------
-    elem : xml.etree.ElementTree.Element
+    elem : lxml.etree._Element
         Element from which to search
     name : str
         Name of attribute/subelement
@@ -68,7 +68,7 @@ def reorder_attributes(root):
 
     Parameters
     ----------
-    root : xml.etree.ElementTree.Element
+    root : lxml.etree._Element
         Root element
 
     """
@@ -86,7 +86,7 @@ def get_elem_tuple(elem, name, dtype=int):
 
     Parameters
     ----------
-    elem : xml.etree.ElementTree.Element
+    elem : lxml.etree._Element
         XML element that should contain a tuple
     name : str
         Name of the subelement to obtain tuple from
diff --git a/openmc/cell.py b/openmc/cell.py
index 67735ef5e..5797bc0f6 100644
--- a/openmc/cell.py
+++ b/openmc/cell.py
@@ -2,7 +2,7 @@ from collections import OrderedDict
 from collections.abc import Iterable
 from math import cos, sin, pi
 from numbers import Real
-from xml.etree import ElementTree as ET
+import lxml.etree as ET
 
 import numpy as np
 from uncertainties import UFloat
@@ -565,7 +565,7 @@ class Cell(IDManagerMixin):
 
         Parameters
         ----------
-        xml_element : xml.etree.ElementTree.Element
+        xml_element : lxml.etree._Element
             XML element to be added to
 
         memo : set or None
@@ -653,7 +653,7 @@ class Cell(IDManagerMixin):
 
         Parameters
         ----------
-        elem : xml.etree.ElementTree.Element
+        elem : lxml.etree._Element
             `<cell>` element
         surfaces : dict
             Dictionary mapping surface IDs to :class:`openmc.Surface` instances
diff --git a/openmc/data/library.py b/openmc/data/library.py
index 5cafd1961..210270749 100644
--- a/openmc/data/library.py
+++ b/openmc/data/library.py
@@ -1,5 +1,5 @@
 import os
-import xml.etree.ElementTree as ET
+import lxml.etree as ET
 import pathlib
 
 import h5py
diff --git a/openmc/deplete/chain.py b/openmc/deplete/chain.py
index 5e3157f90..d23cf374c 100644
--- a/openmc/deplete/chain.py
+++ b/openmc/deplete/chain.py
@@ -19,15 +19,7 @@ from openmc.data import gnds_name, zam, DataLibrary
 from openmc.exceptions import DataError
 from .nuclide import FissionYieldDistribution
 
-# Try to use lxml if it is available. It preserves the order of attributes and
-# provides a pretty-printer by default. If not available,
-# use OpenMC function to pretty print.
-try:
-    import lxml.etree as ET
-    _have_lxml = True
-except ImportError:
-    import xml.etree.ElementTree as ET
-    _have_lxml = False
+import lxml.etree as ET
 import scipy.sparse as sp
 
 import openmc.data
@@ -565,11 +557,7 @@ class Chain:
             root_elem.append(nuclide.to_xml_element())
 
         tree = ET.ElementTree(root_elem)
-        if _have_lxml:
-            tree.write(str(filename), encoding='utf-8', pretty_print=True)
-        else:
-            clean_indentation(root_elem)
-            tree.write(str(filename), encoding='utf-8')
+        tree.write(str(filename), encoding='utf-8', pretty_print=True)
 
     def get_default_fission_yields(self):
         """Return fission yields at lowest incident neutron energy
diff --git a/openmc/deplete/nuclide.py b/openmc/deplete/nuclide.py
index 2e9673d5f..e2067a8e3 100644
--- a/openmc/deplete/nuclide.py
+++ b/openmc/deplete/nuclide.py
@@ -1,4 +1,4 @@
-"""Nuclide module.
+"""Nuclide module.xml.etree.Ele
 
 Contains the per-nuclide components of a depletion chain.
 """
@@ -8,10 +8,7 @@ from collections.abc import Mapping
 from collections import namedtuple, defaultdict
 from warnings import warn
 from numbers import Real
-try:
-    import lxml.etree as ET
-except ImportError:
-    import xml.etree.ElementTree as ET
+import lxml.etree as ET
 
 import numpy as np
 
@@ -212,9 +209,9 @@ class Nuclide:
 
         Parameters
         ----------
-        element : xml.etree.ElementTree.Element
+        element : lxml.etree._Element
             XML element to read nuclide data from
-        root : xml.etree.ElementTree.Element, optional
+        root : lxml.etree._Element, optional
             Root XML element for chain file (only used when fission product
             yields are borrowed from another parent)
         fission_q : None or float
@@ -297,7 +294,7 @@ class Nuclide:
 
         Returns
         -------
-        elem : xml.etree.ElementTree.Element
+        elem : lxml.etree._Element
             XML element to write nuclide data to
 
         """
@@ -318,13 +315,7 @@ class Nuclide:
         # Write decay sources
         if self.sources:
             for particle, source in self.sources.items():
-                # TODO: Ugly hack to deal with the fact that
-                # 'source.to_xml_element' will return an xml.etree object
-                # whereas here lxml is being used preferentially. We should just
-                # switch to use lxml everywhere
-                import xml.etree.ElementTree as etree
-                src_elem_xmletree = source.to_xml_element('source')
-                src_elem = ET.fromstring(etree.tostring(src_elem_xmletree))
+                src_elem = source.to_xml_element('source')
                 src_elem.set('particle', particle)
                 elem.append(src_elem)
 
@@ -529,7 +520,7 @@ class FissionYieldDistribution(Mapping):
 
         Parameters
         ----------
-        element : xml.etree.ElementTree.Element
+        element : lxml.etree._Element
             XML element to pull fission yield data from
 
         Returns
@@ -551,7 +542,7 @@ class FissionYieldDistribution(Mapping):
 
         Parameters
         ----------
-        root : xml.etree.ElementTree.Element
+        root : lxml.etree._Element
             Element to write distribution data to
         """
         for energy, yield_obj in self.items():
diff --git a/openmc/element.py b/openmc/element.py
index f1a5d31d3..bc3195aea 100644
--- a/openmc/element.py
+++ b/openmc/element.py
@@ -1,6 +1,6 @@
 from collections import OrderedDict
 import re
-from xml.etree import ElementTree as ET
+import lxml.etree as ET
 
 import openmc.checkvalue as cv
 import openmc
diff --git a/openmc/filter.py b/openmc/filter.py
index 5233908c8..1ad289278 100644
--- a/openmc/filter.py
+++ b/openmc/filter.py
@@ -4,8 +4,8 @@ from collections.abc import Iterable
 import hashlib
 from itertools import product
 from numbers import Real, Integral
+import lxml.etree as ET
 import warnings
-from xml.etree import ElementTree as ET
 
 import numpy as np
 import pandas as pd
@@ -229,7 +229,7 @@ class Filter(IDManagerMixin, metaclass=FilterMeta):
 
         Returns
         -------
-        element : xml.etree.ElementTree.Element
+        element : lxml.etree._Element
             XML element containing filter data
 
         """
@@ -247,7 +247,7 @@ class Filter(IDManagerMixin, metaclass=FilterMeta):
 
         Parameters
         ----------
-        elem : xml.etree.ElementTree.Element
+        elem : lxml.etree._Element
             XML element
         **kwargs
             Keyword arguments (e.g., mesh information)
@@ -662,7 +662,7 @@ class CellInstanceFilter(Filter):
 
         Returns
         -------
-        element : xml.etree.ElementTree.Element
+        element : lxml.etree._Element
             XML element containing filter data
 
         """
@@ -938,7 +938,7 @@ class MeshFilter(Filter):
 
         Returns
         -------
-        element : xml.etree.ElementTree.Element
+        element : lxml.etree._Element
             XML element containing filter data
 
         """
@@ -1284,7 +1284,7 @@ class RealFilter(Filter):
 
         Returns
         -------
-        element : xml.etree.ElementTree.Element
+        element : lxml.etree._Element
             XML element containing filter data
 
         """
@@ -2120,7 +2120,7 @@ class EnergyFunctionFilter(Filter):
 
         Returns
         -------
-        element : xml.etree.ElementTree.Element
+        element : lxml.etree._Element
             XML element containing filter data
 
         """
diff --git a/openmc/filter_expansion.py b/openmc/filter_expansion.py
index 1c07f58b7..f05f39fe9 100644
--- a/openmc/filter_expansion.py
+++ b/openmc/filter_expansion.py
@@ -1,5 +1,5 @@
 from numbers import Integral, Real
-from xml.etree import ElementTree as ET
+import lxml.etree as ET
 
 import openmc.checkvalue as cv
 from . import Filter
@@ -33,7 +33,7 @@ class ExpansionFilter(Filter):
 
         Returns
         -------
-        element : xml.etree.ElementTree.Element
+        element : lxml.etree._Element
             XML element containing Legendre filter data
 
         """
@@ -218,7 +218,7 @@ class SpatialLegendreFilter(ExpansionFilter):
 
         Returns
         -------
-        element : xml.etree.ElementTree.Element
+        element : lxml.etree._Element
             XML element containing Legendre filter data
 
         """
@@ -323,7 +323,7 @@ class SphericalHarmonicsFilter(ExpansionFilter):
 
         Returns
         -------
-        element : xml.etree.ElementTree.Element
+        element : lxml.etree._Element
             XML element containing spherical harmonics filter data
 
         """
@@ -473,7 +473,7 @@ class ZernikeFilter(ExpansionFilter):
 
         Returns
         -------
-        element : xml.etree.ElementTree.Element
+        element : lxml.etree._Element
             XML element containing Zernike filter data
 
         """
diff --git a/openmc/geometry.py b/openmc/geometry.py
index dbfce731f..9038895b8 100644
--- a/openmc/geometry.py
+++ b/openmc/geometry.py
@@ -6,7 +6,7 @@ from copy import deepcopy
 from collections.abc import Iterable
 from pathlib import Path
 import warnings
-from xml.etree import ElementTree as ET
+import lxml.etree as ET
 
 import numpy as np
 
@@ -172,7 +172,7 @@ class Geometry:
 
         Parameters
         ----------
-        elem : xml.etree.ElementTree.Element
+        elem : lxml.etree._Element
             XML element
         materials : openmc.Materials or None
             Materials used to assign to cells. If None, an attempt is made to
diff --git a/openmc/lattice.py b/openmc/lattice.py
index b067b47a3..37faaf00f 100644
--- a/openmc/lattice.py
+++ b/openmc/lattice.py
@@ -5,7 +5,7 @@ from copy import deepcopy
 from math import sqrt, floor
 from numbers import Real
 import types
-from xml.etree import ElementTree as ET
+import lxml.etree as ET
 
 import numpy as np
 
@@ -833,7 +833,7 @@ class RectLattice(Lattice):
 
         Parameters
         ----------
-        xml_element : xml.etree.ElementTree.Element
+        xml_element : lxml.etree._Element
             XML element to be added to
 
         memo : set or None
@@ -932,7 +932,7 @@ class RectLattice(Lattice):
 
         Parameters
         ----------
-        elem : xml.etree.ElementTree.Element
+        elem : lxml.etree._Element
             `<lattice>` element
         get_universe : function
             Function returning universe (defined in
@@ -1502,7 +1502,7 @@ class HexLattice(Lattice):
 
         Parameters
         ----------
-        elem : xml.etree.ElementTree.Element
+        elem : lxml.etree._Element
             `<hex_lattice>` element
         get_universe : function
             Function returning universe (defined in
diff --git a/openmc/material.py b/openmc/material.py
index c84ff8c27..20041aa53 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -8,7 +8,7 @@ import re
 import typing  # imported separately as py3.8 requires typing.Iterable
 import warnings
 from typing import Optional, List, Union, Dict
-from xml.etree import ElementTree as ET
+import lxml.etree as ET
 
 import numpy as np
 import h5py
@@ -1274,7 +1274,7 @@ class Material(IDManagerMixin):
 
         Returns
         -------
-        element : xml.etree.ElementTree.Element
+        element : lxml.etree._Element
             XML element containing material data
 
         """
@@ -1442,7 +1442,7 @@ class Material(IDManagerMixin):
 
         Parameters
         ----------
-        elem : xml.etree.ElementTree.Element
+        elem : lxml.etree._Element
             XML element
 
         Returns
@@ -1598,7 +1598,7 @@ class Materials(cv.CheckedList):
             element.tail = element.tail.strip(' ')
             file.write((level+1)*spaces_per_level*' ')
             reorder_attributes(element)  # TODO: Remove when support is Python 3.8+
-            ET.ElementTree(element).write(file, encoding='unicode')
+            file.write(ET.tostring(element, encoding="unicode"))
 
         # Write the <material> elements.
         for material in sorted(self, key=lambda x: x.id):
@@ -1607,7 +1607,7 @@ class Materials(cv.CheckedList):
             element.tail = element.tail.strip(' ')
             file.write((level+1)*spaces_per_level*' ')
             reorder_attributes(element)  # TODO: Remove when support is Python 3.8+
-            ET.ElementTree(element).write(file, encoding='unicode')
+            file.write(ET.tostring(element, encoding="unicode"))
 
         # Write the closing tag for the root element.
         file.write(indentation+'</materials>\n')
@@ -1644,7 +1644,7 @@ class Materials(cv.CheckedList):
 
         Parameters
         ----------
-        elem : xml.etree.ElementTree.Element
+        elem : lxml.etree._Element
             XML element
 
         Returns
diff --git a/openmc/mesh.py b/openmc/mesh.py
index f606b8526..c4f744379 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -5,7 +5,7 @@ from math import pi
 from numbers import Real, Integral
 from pathlib import Path
 import warnings
-from xml.etree import ElementTree as ET
+import lxml.etree as ET
 
 import numpy as np
 
@@ -103,7 +103,7 @@ class MeshBase(IDManagerMixin, ABC):
 
         Parameters
         ----------
-        elem : xml.etree.ElementTree.Element
+        elem : lxml.etree._Element
             XML element
 
         Returns
@@ -568,7 +568,7 @@ class RegularMesh(StructuredMesh):
 
         Returns
         -------
-        element : xml.etree.ElementTree.Element
+        element : lxml.etree._Element
             XML element containing mesh data
 
         """
@@ -598,7 +598,7 @@ class RegularMesh(StructuredMesh):
 
         Parameters
         ----------
-        elem : xml.etree.ElementTree.Element
+        elem : lxml.etree._Element
             XML element
 
         Returns
@@ -949,7 +949,7 @@ class RectilinearMesh(StructuredMesh):
 
         Parameters
         ----------
-        elem : xml.etree.ElementTree.Element
+        elem : lxml.etree._Element
             XML element
 
         Returns
@@ -971,7 +971,7 @@ class RectilinearMesh(StructuredMesh):
 
         Returns
         -------
-        element : xml.etree.ElementTree.Element
+        element : lxml.etree._Element
             XML element containing mesh data
 
         """
@@ -1239,7 +1239,7 @@ class CylindricalMesh(StructuredMesh):
 
         Returns
         -------
-        element : xml.etree.ElementTree.Element
+        element : lxml.etree._Element
             XML element containing mesh data
 
         """
@@ -1268,7 +1268,7 @@ class CylindricalMesh(StructuredMesh):
 
         Parameters
         ----------
-        elem : xml.etree.ElementTree.Element
+        elem : lxml.etree._Element
             XML element
 
         Returns
@@ -1488,7 +1488,7 @@ class SphericalMesh(StructuredMesh):
 
         Returns
         -------
-        element : xml.etree.ElementTree.Element
+        element : lxml.etree._Element
             XML element containing mesh data
 
         """
@@ -1517,7 +1517,7 @@ class SphericalMesh(StructuredMesh):
 
         Parameters
         ----------
-        elem : xml.etree.ElementTree.Element
+        elem : lxml.etree._Element
             XML element
 
         Returns
@@ -1940,7 +1940,7 @@ class UnstructuredMesh(MeshBase):
 
         Returns
         -------
-        element : xml.etree.ElementTree.Element
+        element : lxml.etree._Element
             XML element containing mesh data
 
         """
@@ -1963,7 +1963,7 @@ class UnstructuredMesh(MeshBase):
 
         Parameters
         ----------
-        elem : xml.etree.ElementTree.Element
+        elem : lxml.etree._Element
             XML element
 
         Returns
@@ -1984,7 +1984,7 @@ def _read_meshes(elem):
 
     Parameters
     ----------
-    elem : xml.etree.ElementTree.Element
+    elem : lxml.etree._Element
         XML element
 
     Returns
@@ -1998,4 +1998,4 @@ def _read_meshes(elem):
         mesh = MeshBase.from_xml_element(mesh_elem)
         out[mesh.id] = mesh
 
-    return out
\ No newline at end of file
+    return out
diff --git a/openmc/model/model.py b/openmc/model/model.py
index 933e1172e..ede21c64e 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -7,7 +7,7 @@ from pathlib import Path
 from numbers import Integral
 from tempfile import NamedTemporaryFile
 import warnings
-from xml.etree import ElementTree as ET
+import lxml.etree as ET
 from typing import Optional, Dict
 
 import h5py
@@ -527,17 +527,17 @@ class Model:
             # This will write the XML header also
             materials._write_xml(fh, False, level=1)
             # Write remaining elements as a tree
-            ET.ElementTree(geometry_element).write(fh, encoding='unicode')
-            ET.ElementTree(settings_element).write(fh, encoding='unicode')
+            fh.write(ET.tostring(geometry_element, encoding="unicode"))
+            fh.write(ET.tostring(settings_element, encoding="unicode"))
 
             if self.tallies:
                 tallies_element = self.tallies.to_xml_element(mesh_memo)
                 xml.clean_indentation(tallies_element, level=1, trailing_indent=self.plots)
-                ET.ElementTree(tallies_element).write(fh, encoding='unicode')
+                fh.write(ET.tostring(tallies_element, encoding="unicode"))
             if self.plots:
                 plots_element = self.plots.to_xml_element()
                 xml.clean_indentation(plots_element, level=1, trailing_indent=False)
-                ET.ElementTree(plots_element).write(fh, encoding='unicode')
+                fh.write(ET.tostring(plots_element, encoding="unicode"))
             fh.write("</model>\n")
 
     def import_properties(self, filename):
diff --git a/openmc/plots.py b/openmc/plots.py
index 67b65440a..5d8cf9ba4 100644
--- a/openmc/plots.py
+++ b/openmc/plots.py
@@ -1,8 +1,8 @@
 from collections.abc import Iterable, Mapping
 from numbers import Integral, Real
 from pathlib import Path
+import lxml.etree as ET
 from typing import Optional
-from xml.etree import ElementTree as ET
 
 import h5py
 import numpy as np
@@ -476,7 +476,7 @@ class PlotBase(IDManagerMixin):
 
         Returns
         -------
-        element : xml.etree.ElementTree.Element
+        element : lxml.etree._Element
             XML element containing plot data
 
         """
@@ -776,7 +776,7 @@ class Plot(PlotBase):
 
         Returns
         -------
-        element : xml.etree.ElementTree.Element
+        element : lxml.etree._Element
             XML element containing plot data
 
         """
@@ -833,7 +833,7 @@ class Plot(PlotBase):
 
         Parameters
         ----------
-        elem : xml.etree.ElementTree.Element
+        elem : lxml.etree._Element
             XML element
 
         Returns
@@ -1170,7 +1170,7 @@ class ProjectionPlot(PlotBase):
 
         Returns
         -------
-        element : xml.etree.ElementTree.Element
+        element : lxml.etree._Element
             XML element containing plot data
 
         """
@@ -1254,7 +1254,7 @@ class ProjectionPlot(PlotBase):
 
         Parameters
         ----------
-        elem : xml.etree.ElementTree.Element
+        elem : lxml.etree._Element
             XML element
 
         Returns
@@ -1428,7 +1428,7 @@ class Plots(cv.CheckedList):
 
         Returns
         -------
-        element : xml.etree.ElementTree.Element
+        element : lxml.etree._Element
             XML element containing all plot elements
 
         """
@@ -1469,7 +1469,7 @@ class Plots(cv.CheckedList):
 
         Parameters
         ----------
-        elem : xml.etree.ElementTree.Element
+        elem : lxml.etree._Element
             XML element
 
         Returns
diff --git a/openmc/settings.py b/openmc/settings.py
index aa4276cd5..12703fbfd 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -8,7 +8,7 @@ from numbers import Integral, Real
 from pathlib import Path
 import typing  # required to prevent typing.Union namespace overwriting Union
 from typing import Optional
-from xml.etree import ElementTree as ET
+import lxml.etree as ET
 
 import openmc.checkvalue as cv
 from openmc.stats.multivariate import MeshSpatial
@@ -1706,7 +1706,7 @@ class Settings:
 
         Parameters
         ----------
-        elem : xml.etree.ElementTree.Element
+        elem : lxml.etree._Element
             XML element
         meshes : dict or None
             A dictionary with mesh IDs as keys and mesh instances as values that
diff --git a/openmc/source.py b/openmc/source.py
index 7f88bcd52..9851ea59d 100644
--- a/openmc/source.py
+++ b/openmc/source.py
@@ -5,7 +5,7 @@ import warnings
 import typing  # imported separately as py3.8 requires typing.Iterable
 # also required to prevent typing.Union namespace overwriting Union
 from typing import Optional, Sequence
-from xml.etree import ElementTree as ET
+import lxml.etree as ET 
 
 import numpy as np
 import h5py
@@ -228,7 +228,7 @@ class Source:
 
         Returns
         -------
-        element : xml.etree.ElementTree.Element
+        element : lxml.etree._Element
             XML element containing source data
 
         """
@@ -263,7 +263,7 @@ class Source:
 
         Parameters
         ----------
-        elem : xml.etree.ElementTree.Element
+        elem : lxml.etree._Element
             XML element
         meshes : dict
             Dictionary with mesh IDs as keys and openmc.MeshBase instaces as
diff --git a/openmc/stats/multivariate.py b/openmc/stats/multivariate.py
index 7372020b0..190dfd64d 100644
--- a/openmc/stats/multivariate.py
+++ b/openmc/stats/multivariate.py
@@ -2,7 +2,7 @@ from abc import ABC, abstractmethod
 from collections.abc import Iterable
 from math import pi, cos
 from numbers import Real
-from xml.etree import ElementTree as ET
+import lxml.etree as ET
 
 import numpy as np
 
@@ -121,7 +121,7 @@ class PolarAzimuthal(UnitSphere):
 
         Returns
         -------
-        element : xml.etree.ElementTree.Element
+        element : lxml.etree._Element
             XML element containing angular distribution data
 
         """
@@ -139,7 +139,7 @@ class PolarAzimuthal(UnitSphere):
 
         Parameters
         ----------
-        elem : xml.etree.ElementTree.Element
+        elem : lxml.etree._Element
             XML element
 
         Returns
@@ -168,7 +168,7 @@ class Isotropic(UnitSphere):
 
         Returns
         -------
-        element : xml.etree.ElementTree.Element
+        element : lxml.etree._Element
             XML element containing isotropic distribution data
 
         """
@@ -182,7 +182,7 @@ class Isotropic(UnitSphere):
 
         Parameters
         ----------
-        elem : xml.etree.ElementTree.Element
+        elem : lxml.etree._Element
             XML element
 
         Returns
@@ -217,7 +217,7 @@ class Monodirectional(UnitSphere):
 
         Returns
         -------
-        element : xml.etree.ElementTree.Element
+        element : lxml.etree._Element
             XML element containing monodirectional distribution data
 
         """
@@ -233,7 +233,7 @@ class Monodirectional(UnitSphere):
 
         Parameters
         ----------
-        elem : xml.etree.ElementTree.Element
+        elem : lxml.etree._Element
             XML element
 
         Returns
@@ -341,7 +341,7 @@ class CartesianIndependent(Spatial):
 
         Returns
         -------
-        element : xml.etree.ElementTree.Element
+        element : lxml.etree._Element
             XML element containing spatial distribution data
 
         """
@@ -358,7 +358,7 @@ class CartesianIndependent(Spatial):
 
         Parameters
         ----------
-        elem : xml.etree.ElementTree.Element
+        elem : lxml.etree._Element
             XML element
 
         Returns
@@ -464,7 +464,7 @@ class SphericalIndependent(Spatial):
 
         Returns
         -------
-        element : xml.etree.ElementTree.Element
+        element : lxml.etree._Element
             XML element containing spatial distribution data
 
         """
@@ -482,7 +482,7 @@ class SphericalIndependent(Spatial):
 
         Parameters
         ----------
-        elem : xml.etree.ElementTree.Element
+        elem : lxml.etree._Element
             XML element
 
         Returns
@@ -586,7 +586,7 @@ class CylindricalIndependent(Spatial):
 
         Returns
         -------
-        element : xml.etree.ElementTree.Element
+        element : lxml.etree._Element
             XML element containing spatial distribution data
 
         """
@@ -604,7 +604,7 @@ class CylindricalIndependent(Spatial):
 
         Parameters
         ----------
-        elem : xml.etree.ElementTree.Element
+        elem : lxml.etree._Element
             XML element
 
         Returns
@@ -698,7 +698,7 @@ class MeshSpatial(Spatial):
 
         Returns
         -------
-        element : xml.etree.ElementTree.Element
+        element : lxml.etree._Element
             XML element containing spatial distribution data
 
         """
@@ -719,7 +719,7 @@ class MeshSpatial(Spatial):
 
         Parameters
         ----------
-        elem : xml.etree.ElementTree.Element
+        elem : lxml.etree._Element
             XML element
         meshes : dict
             A dictionary with mesh IDs as keys and openmc.MeshBase instances as
@@ -811,7 +811,7 @@ class Box(Spatial):
 
         Returns
         -------
-        element : xml.etree.ElementTree.Element
+        element : lxml.etree._Element
             XML element containing box distribution data
 
         """
@@ -831,7 +831,7 @@ class Box(Spatial):
 
         Parameters
         ----------
-        elem : xml.etree.ElementTree.Element
+        elem : lxml.etree._Element
             XML element
 
         Returns
@@ -883,7 +883,7 @@ class Point(Spatial):
 
         Returns
         -------
-        element : xml.etree.ElementTree.Element
+        element : lxml.etree._Element
             XML element containing point distribution location
 
         """
@@ -899,7 +899,7 @@ class Point(Spatial):
 
         Parameters
         ----------
-        elem : xml.etree.ElementTree.Element
+        elem : lxml.etree._Element
             XML element
 
         Returns
diff --git a/openmc/stats/univariate.py b/openmc/stats/univariate.py
index 240f13d14..b98b87d6f 100644
--- a/openmc/stats/univariate.py
+++ b/openmc/stats/univariate.py
@@ -5,7 +5,7 @@ from copy import deepcopy
 import math
 from numbers import Real
 from warnings import warn
-from xml.etree import ElementTree as ET
+import lxml.etree as ET
 
 import numpy as np
 
@@ -173,7 +173,7 @@ class Discrete(Univariate):
 
         Returns
         -------
-        element : xml.etree.ElementTree.Element
+        element : lxml.etree._Element
             XML element containing discrete distribution data
 
         """
@@ -191,7 +191,7 @@ class Discrete(Univariate):
 
         Parameters
         ----------
-        elem : xml.etree.ElementTree.Element
+        elem : lxml.etree._Element
             XML element
 
         Returns
@@ -316,7 +316,7 @@ class Uniform(Univariate):
 
         Returns
         -------
-        element : xml.etree.ElementTree.Element
+        element : lxml.etree._Element
             XML element containing uniform distribution data
 
         """
@@ -331,7 +331,7 @@ class Uniform(Univariate):
 
         Parameters
         ----------
-        elem : xml.etree.ElementTree.Element
+        elem : lxml.etree._Element
             XML element
 
         Returns
@@ -425,7 +425,7 @@ class PowerLaw(Univariate):
 
         Returns
         -------
-        element : xml.etree.ElementTree.Element
+        element : lxml.etree._Element
             XML element containing distribution data
 
         """
@@ -440,7 +440,7 @@ class PowerLaw(Univariate):
 
         Parameters
         ----------
-        elem : xml.etree.ElementTree.Element
+        elem : lxml.etree._Element
             XML element
 
         Returns
@@ -508,7 +508,7 @@ class Maxwell(Univariate):
 
         Returns
         -------
-        element : xml.etree.ElementTree.Element
+        element : lxml.etree._Element
             XML element containing Maxwellian distribution data
 
         """
@@ -523,7 +523,7 @@ class Maxwell(Univariate):
 
         Parameters
         ----------
-        elem : xml.etree.ElementTree.Element
+        elem : lxml.etree._Element
             XML element
 
         Returns
@@ -603,7 +603,7 @@ class Watt(Univariate):
 
         Returns
         -------
-        element : xml.etree.ElementTree.Element
+        element : lxml.etree._Element
             XML element containing Watt distribution data
 
         """
@@ -618,7 +618,7 @@ class Watt(Univariate):
 
         Parameters
         ----------
-        elem : xml.etree.ElementTree.Element
+        elem : lxml.etree._Element
             XML element
 
         Returns
@@ -693,7 +693,7 @@ class Normal(Univariate):
 
         Returns
         -------
-        element : xml.etree.ElementTree.Element
+        element : lxml.etree._Element
             XML element containing Watt distribution data
 
         """
@@ -708,7 +708,7 @@ class Normal(Univariate):
 
         Parameters
         ----------
-        elem : xml.etree.ElementTree.Element
+        elem : lxml.etree._Element
             XML element
 
         Returns
@@ -957,7 +957,7 @@ class Tabular(Univariate):
 
         Returns
         -------
-        element : xml.etree.ElementTree.Element
+        element : lxml.etree._Element
             XML element containing tabular distribution data
 
         """
@@ -976,7 +976,7 @@ class Tabular(Univariate):
 
         Parameters
         ----------
-        elem : xml.etree.ElementTree.Element
+        elem : lxml.etree._Element
             XML element
 
         Returns
@@ -1152,7 +1152,7 @@ class Mixture(Univariate):
 
         Returns
         -------
-        element : xml.etree.ElementTree.Element
+        element : lxml.etree._Element
             XML element containing mixture distribution data
 
         """
@@ -1174,7 +1174,7 @@ class Mixture(Univariate):
 
         Parameters
         ----------
-        elem : xml.etree.ElementTree.Element
+        elem : lxml.etree._Element
             XML element
 
         Returns
diff --git a/openmc/surface.py b/openmc/surface.py
index 5d13b39ff..b195c0af2 100644
--- a/openmc/surface.py
+++ b/openmc/surface.py
@@ -4,7 +4,7 @@ from collections.abc import Iterable
 from copy import deepcopy
 import math
 from numbers import Real
-from xml.etree import ElementTree as ET
+import lxml.etree as ET
 from warnings import warn, catch_warnings, simplefilter
 
 import numpy as np
@@ -393,7 +393,7 @@ class Surface(IDManagerMixin, ABC):
 
         Returns
         -------
-        element : xml.etree.ElementTree.Element
+        element : lxml.etree._Element
             XML element containing source data
 
         """
@@ -417,7 +417,7 @@ class Surface(IDManagerMixin, ABC):
 
         Parameters
         ----------
-        elem : xml.etree.ElementTree.Element
+        elem : lxml.etree._Element
             XML element
 
         Returns
@@ -624,7 +624,7 @@ class PlaneMixin:
 
         Returns
         -------
-        element : xml.etree.ElementTree.Element
+        element : lxml.etree._Element
             XML element containing source data
 
         """
@@ -1280,7 +1280,7 @@ class Cylinder(QuadricMixin, Surface):
 
         Returns
         -------
-        element : xml.etree.ElementTree.Element
+        element : lxml.etree._Element
             XML element containing source data
 
         """
@@ -1802,7 +1802,7 @@ class Cone(QuadricMixin, Surface):
 
         Returns
         -------
-        element : xml.etree.ElementTree.Element
+        element : lxml.etree._Element
             XML element containing source data
 
         """
diff --git a/openmc/tallies.py b/openmc/tallies.py
index 1a27e1bd4..492336f7e 100644
--- a/openmc/tallies.py
+++ b/openmc/tallies.py
@@ -5,7 +5,7 @@ from itertools import product
 from numbers import Integral, Real
 import operator
 from pathlib import Path
-from xml.etree import ElementTree as ET
+import lxml.etree as ET
 
 import h5py
 import numpy as np
@@ -815,7 +815,7 @@ class Tally(IDManagerMixin):
 
         Returns
         -------
-        element : xml.etree.ElementTree.Element
+        element : lxml.etree._Element
             XML element containing tally data
 
         """
@@ -872,7 +872,7 @@ class Tally(IDManagerMixin):
 
         Parameters
         ----------
-        elem : xml.etree.ElementTree.Element
+        elem : lxml.etree._Element
             XML element
 
         Returns
@@ -3226,7 +3226,7 @@ class Tallies(cv.CheckedList):
 
         Parameters
         ----------
-        elem : xml.etree.ElementTree.Element
+        elem : lxml.etree._Element
             XML element
         meshes : dict or None
             A dictionary with mesh IDs as keys and mesh instances as values that
diff --git a/openmc/tally_derivative.py b/openmc/tally_derivative.py
index 05a27681d..d8e165e8b 100644
--- a/openmc/tally_derivative.py
+++ b/openmc/tally_derivative.py
@@ -1,5 +1,5 @@
 from numbers import Integral
-from xml.etree import ElementTree as ET
+import lxml.etree as ET
 
 import openmc.checkvalue as cv
 from .mixin import EqualityMixin, IDManagerMixin
@@ -93,7 +93,7 @@ class TallyDerivative(EqualityMixin, IDManagerMixin):
 
         Returns
         -------
-        element : xml.etree.ElementTree.Element
+        element : lxml.etree._Element
             XML element containing derivative data
 
         """
@@ -112,7 +112,7 @@ class TallyDerivative(EqualityMixin, IDManagerMixin):
 
         Parameters
         ----------
-        elem : xml.etree.ElementTree.Element
+        elem : lxml.etree._Element
             XML element
 
         Returns
diff --git a/openmc/trigger.py b/openmc/trigger.py
index c5151aa7e..3f7d8d7d0 100644
--- a/openmc/trigger.py
+++ b/openmc/trigger.py
@@ -1,6 +1,6 @@
 from collections.abc import Iterable
 from numbers import Real
-from xml.etree import ElementTree as ET
+import lxml.etree as ET
 
 import openmc.checkvalue as cv
 from .mixin import EqualityMixin
@@ -79,7 +79,7 @@ class Trigger(EqualityMixin):
 
         Returns
         -------
-        element : xml.etree.ElementTree.Element
+        element : lxml.etree._Element
             XML element containing trigger data
 
         """
@@ -97,7 +97,7 @@ class Trigger(EqualityMixin):
 
         Parameters
         ----------
-        elem : xml.etree.ElementTree.Element
+        elem : lxml.etree._Element
             XML element
 
         Returns
diff --git a/openmc/universe.py b/openmc/universe.py
index afe360094..dc88bdb04 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -6,7 +6,7 @@ from copy import deepcopy
 from numbers import Integral, Real
 from pathlib import Path
 from tempfile import TemporaryDirectory
-from xml.etree import ElementTree as ET
+import lxml.etree as ET
 from warnings import warn
 
 import h5py
@@ -117,7 +117,7 @@ class UniverseBase(ABC, IDManagerMixin):
 
         Parameters
         ----------
-        xml_element : xml.etree.ElementTree.Element
+        xml_element : lxml.etree._Element
             XML element to be added to
 
         memo : set or None
@@ -1048,7 +1048,7 @@ class DAGMCUniverse(UniverseBase):
 
         Parameters
         ----------
-        elem : xml.etree.ElementTree.Element
+        elem : lxml.etree._Element
             `<dagmc_universe>` element
 
         Returns
diff --git a/openmc/volume.py b/openmc/volume.py
index 5411b3c1d..363b108c9 100644
--- a/openmc/volume.py
+++ b/openmc/volume.py
@@ -1,7 +1,7 @@
 from collections import OrderedDict
 from collections.abc import Iterable, Mapping
 from numbers import Real, Integral
-from xml.etree import ElementTree as ET
+import lxml.etree as ET
 import warnings
 
 import numpy as np
@@ -333,7 +333,7 @@ class VolumeCalculation:
 
         Returns
         -------
-        element : xml.etree.ElementTree.Element
+        element : lxml.etree._Element
             XML element containing volume calculation data
 
         """
@@ -362,7 +362,7 @@ class VolumeCalculation:
 
         Parameters
         ----------
-        elem : xml.etree.ElementTree.Element
+        elem : lxml.etree._Element
             XML element
 
         Returns
diff --git a/openmc/weight_windows.py b/openmc/weight_windows.py
index 2993db089..c09e1e862 100644
--- a/openmc/weight_windows.py
+++ b/openmc/weight_windows.py
@@ -5,7 +5,7 @@ import pathlib
 import typing
 from typing import Iterable, List, Optional, Union, Dict
 
-from xml.etree import ElementTree as ET
+import lxml.etree as ET
 import numpy as np
 import h5py
 
@@ -313,7 +313,7 @@ class WeightWindows(IDManagerMixin):
 
         Returns
         -------
-        element : xml.etree.ElementTree.Element
+        element : lxml.etree._Element
             XML element containing the weight window information
         """
         element = ET.Element('weight_windows')
@@ -356,9 +356,9 @@ class WeightWindows(IDManagerMixin):
 
         Parameters
         ----------
-        elem : xml.etree.ElementTree.Element
+        elem : lxml.etree._Element
             XML element
-        root : xml.etree.ElementTree.Element
+        root : lxml.etree._Element
             Root element for the file where meshes can be found
 
         Returns
diff --git a/tests/regression_tests/adj_cell_rotation/inputs_true.dat b/tests/regression_tests/adj_cell_rotation/inputs_true.dat
index 1c4516f42..48774bb02 100644
--- a/tests/regression_tests/adj_cell_rotation/inputs_true.dat
+++ b/tests/regression_tests/adj_cell_rotation/inputs_true.dat
@@ -2,27 +2,27 @@
 <model>
   <materials>
     <material depletable="true" id="1">
-      <density units="g/cc" value="10.0" />
-      <nuclide ao="1.0" name="U235" />
+      <density units="g/cc" value="10.0"/>
+      <nuclide ao="1.0" name="U235"/>
     </material>
     <material id="2">
-      <density units="g/cc" value="0.1" />
-      <nuclide ao="0.1" name="H1" />
+      <density units="g/cc" value="0.1"/>
+      <nuclide ao="0.1" name="H1"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" region="-1" universe="1" />
-    <cell id="2" material="2" region="1" universe="1" />
-    <cell fill="1" id="3" region="2 -3 4 -5 6 -8" rotation="10 20 30" universe="2" />
-    <cell fill="1" id="4" region="2 -3 4 -5 8 -7" translation="0 0 15" universe="2" />
-    <surface coeffs="1.0 0.0 0.0 5.0" id="1" type="sphere" />
-    <surface boundary="vacuum" coeffs="-7.5" id="2" name="minimum x" type="x-plane" />
-    <surface boundary="vacuum" coeffs="7.5" id="3" name="maximum x" type="x-plane" />
-    <surface boundary="vacuum" coeffs="-7.5" id="4" name="minimum y" type="y-plane" />
-    <surface boundary="vacuum" coeffs="7.5" id="5" name="maximum y" type="y-plane" />
-    <surface boundary="vacuum" coeffs="-7.5" id="6" type="z-plane" />
-    <surface boundary="vacuum" coeffs="22.5" id="7" type="z-plane" />
-    <surface coeffs="7.5" id="8" type="z-plane" />
+    <cell id="1" material="1" region="-1" universe="1"/>
+    <cell id="2" material="2" region="1" universe="1"/>
+    <cell fill="1" id="3" region="2 -3 4 -5 6 -8" rotation="10 20 30" universe="2"/>
+    <cell fill="1" id="4" region="2 -3 4 -5 8 -7" translation="0 0 15" universe="2"/>
+    <surface coeffs="1.0 0.0 0.0 5.0" id="1" type="sphere"/>
+    <surface boundary="vacuum" coeffs="-7.5" id="2" name="minimum x" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="7.5" id="3" name="maximum x" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="-7.5" id="4" name="minimum y" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="7.5" id="5" name="maximum y" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="-7.5" id="6" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="22.5" id="7" type="z-plane"/>
+    <surface coeffs="7.5" id="8" type="z-plane"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
diff --git a/tests/regression_tests/asymmetric_lattice/inputs_true.dat b/tests/regression_tests/asymmetric_lattice/inputs_true.dat
index b247412e5..6a09b10a3 100644
--- a/tests/regression_tests/asymmetric_lattice/inputs_true.dat
+++ b/tests/regression_tests/asymmetric_lattice/inputs_true.dat
@@ -2,162 +2,162 @@
 <model>
   <materials>
     <material depletable="true" id="1" name="UOX fuel">
-      <density units="g/cm3" value="10.062" />
-      <nuclide ao="4.9476e-06" name="U234" />
-      <nuclide ao="0.00048218" name="U235" />
-      <nuclide ao="0.021504" name="U238" />
-      <nuclide ao="1.0801e-08" name="Xe135" />
-      <nuclide ao="0.045737" name="O16" />
+      <density units="g/cm3" value="10.062"/>
+      <nuclide ao="4.9476e-06" name="U234"/>
+      <nuclide ao="0.00048218" name="U235"/>
+      <nuclide ao="0.021504" name="U238"/>
+      <nuclide ao="1.0801e-08" name="Xe135"/>
+      <nuclide ao="0.045737" name="O16"/>
     </material>
     <material id="2" name="Zircaloy">
-      <density units="g/cm3" value="5.77" />
-      <nuclide ao="0.5145" name="Zr90" />
-      <nuclide ao="0.1122" name="Zr91" />
-      <nuclide ao="0.1715" name="Zr92" />
-      <nuclide ao="0.1738" name="Zr94" />
-      <nuclide ao="0.028" name="Zr96" />
+      <density units="g/cm3" value="5.77"/>
+      <nuclide ao="0.5145" name="Zr90"/>
+      <nuclide ao="0.1122" name="Zr91"/>
+      <nuclide ao="0.1715" name="Zr92"/>
+      <nuclide ao="0.1738" name="Zr94"/>
+      <nuclide ao="0.028" name="Zr96"/>
     </material>
     <material id="3" name="Cold borated water">
-      <density units="atom/b-cm" value="0.07416" />
-      <nuclide ao="2.0" name="H1" />
-      <nuclide ao="1.0" name="O16" />
-      <nuclide ao="0.000649" name="B10" />
-      <nuclide ao="0.002689" name="B11" />
-      <sab name="c_H_in_H2O" />
+      <density units="atom/b-cm" value="0.07416"/>
+      <nuclide ao="2.0" name="H1"/>
+      <nuclide ao="1.0" name="O16"/>
+      <nuclide ao="0.000649" name="B10"/>
+      <nuclide ao="0.002689" name="B11"/>
+      <sab name="c_H_in_H2O"/>
     </material>
     <material id="4" name="Hot borated water">
-      <density units="atom/b-cm" value="0.06614" />
-      <nuclide ao="2.0" name="H1" />
-      <nuclide ao="1.0" name="O16" />
-      <nuclide ao="0.000649" name="B10" />
-      <nuclide ao="0.002689" name="B11" />
-      <sab name="c_H_in_H2O" />
+      <density units="atom/b-cm" value="0.06614"/>
+      <nuclide ao="2.0" name="H1"/>
+      <nuclide ao="1.0" name="O16"/>
+      <nuclide ao="0.000649" name="B10"/>
+      <nuclide ao="0.002689" name="B11"/>
+      <sab name="c_H_in_H2O"/>
     </material>
     <material id="5" name="Reactor pressure vessel steel">
-      <density units="g/cm3" value="7.9" />
-      <nuclide name="Fe54" wo="0.05437098" />
-      <nuclide name="Fe56" wo="0.88500663" />
-      <nuclide name="Fe57" wo="0.0208008" />
-      <nuclide name="Fe58" wo="0.00282159" />
-      <nuclide name="Ni58" wo="0.0067198" />
-      <nuclide name="Ni60" wo="0.0026776" />
-      <nuclide name="Mn55" wo="0.01" />
-      <nuclide name="Cr52" wo="0.002092475" />
-      <nuclide name="C0" wo="0.0025" />
-      <nuclide name="Cu63" wo="0.0013696" />
+      <density units="g/cm3" value="7.9"/>
+      <nuclide name="Fe54" wo="0.05437098"/>
+      <nuclide name="Fe56" wo="0.88500663"/>
+      <nuclide name="Fe57" wo="0.0208008"/>
+      <nuclide name="Fe58" wo="0.00282159"/>
+      <nuclide name="Ni58" wo="0.0067198"/>
+      <nuclide name="Ni60" wo="0.0026776"/>
+      <nuclide name="Mn55" wo="0.01"/>
+      <nuclide name="Cr52" wo="0.002092475"/>
+      <nuclide name="C0" wo="0.0025"/>
+      <nuclide name="Cu63" wo="0.0013696"/>
     </material>
     <material id="6" name="Lower radial reflector">
-      <density units="g/cm3" value="4.32" />
-      <nuclide name="H1" wo="0.0095661" />
-      <nuclide name="O16" wo="0.0759107" />
-      <nuclide name="B10" wo="3.08409e-05" />
-      <nuclide name="B11" wo="0.000140499" />
-      <nuclide name="Fe54" wo="0.035620772088" />
-      <nuclide name="Fe56" wo="0.579805982228" />
-      <nuclide name="Fe57" wo="0.01362750048" />
-      <nuclide name="Fe58" wo="0.001848545204" />
-      <nuclide name="Ni58" wo="0.055298376566" />
-      <nuclide name="Mn55" wo="0.018287" />
-      <nuclide name="Cr52" wo="0.145407678031" />
-      <sab name="c_H_in_H2O" />
+      <density units="g/cm3" value="4.32"/>
+      <nuclide name="H1" wo="0.0095661"/>
+      <nuclide name="O16" wo="0.0759107"/>
+      <nuclide name="B10" wo="3.08409e-05"/>
+      <nuclide name="B11" wo="0.000140499"/>
+      <nuclide name="Fe54" wo="0.035620772088"/>
+      <nuclide name="Fe56" wo="0.579805982228"/>
+      <nuclide name="Fe57" wo="0.01362750048"/>
+      <nuclide name="Fe58" wo="0.001848545204"/>
+      <nuclide name="Ni58" wo="0.055298376566"/>
+      <nuclide name="Mn55" wo="0.018287"/>
+      <nuclide name="Cr52" wo="0.145407678031"/>
+      <sab name="c_H_in_H2O"/>
     </material>
     <material id="7" name="Upper radial reflector / Top plate region">
-      <density units="g/cm3" value="4.28" />
-      <nuclide name="H1" wo="0.0086117" />
-      <nuclide name="O16" wo="0.0683369" />
-      <nuclide name="B10" wo="2.77638e-05" />
-      <nuclide name="B11" wo="0.000126481" />
-      <nuclide name="Fe54" wo="0.035953677186" />
-      <nuclide name="Fe56" wo="0.585224740891" />
-      <nuclide name="Fe57" wo="0.01375486056" />
-      <nuclide name="Fe58" wo="0.001865821363" />
-      <nuclide name="Ni58" wo="0.055815129186" />
-      <nuclide name="Mn55" wo="0.0184579" />
-      <nuclide name="Cr52" wo="0.146766614995" />
-      <sab name="c_H_in_H2O" />
+      <density units="g/cm3" value="4.28"/>
+      <nuclide name="H1" wo="0.0086117"/>
+      <nuclide name="O16" wo="0.0683369"/>
+      <nuclide name="B10" wo="2.77638e-05"/>
+      <nuclide name="B11" wo="0.000126481"/>
+      <nuclide name="Fe54" wo="0.035953677186"/>
+      <nuclide name="Fe56" wo="0.585224740891"/>
+      <nuclide name="Fe57" wo="0.01375486056"/>
+      <nuclide name="Fe58" wo="0.001865821363"/>
+      <nuclide name="Ni58" wo="0.055815129186"/>
+      <nuclide name="Mn55" wo="0.0184579"/>
+      <nuclide name="Cr52" wo="0.146766614995"/>
+      <sab name="c_H_in_H2O"/>
     </material>
     <material id="8" name="Bottom plate region">
-      <density units="g/cm3" value="7.184" />
-      <nuclide name="H1" wo="0.0011505" />
-      <nuclide name="O16" wo="0.0091296" />
-      <nuclide name="B10" wo="3.70915e-06" />
-      <nuclide name="B11" wo="1.68974e-05" />
-      <nuclide name="Fe54" wo="0.03855611055" />
-      <nuclide name="Fe56" wo="0.627585036425" />
-      <nuclide name="Fe57" wo="0.014750478" />
-      <nuclide name="Fe58" wo="0.002000875025" />
-      <nuclide name="Ni58" wo="0.059855207342" />
-      <nuclide name="Mn55" wo="0.019794" />
-      <nuclide name="Cr52" wo="0.157390026871" />
-      <sab name="c_H_in_H2O" />
+      <density units="g/cm3" value="7.184"/>
+      <nuclide name="H1" wo="0.0011505"/>
+      <nuclide name="O16" wo="0.0091296"/>
+      <nuclide name="B10" wo="3.70915e-06"/>
+      <nuclide name="B11" wo="1.68974e-05"/>
+      <nuclide name="Fe54" wo="0.03855611055"/>
+      <nuclide name="Fe56" wo="0.627585036425"/>
+      <nuclide name="Fe57" wo="0.014750478"/>
+      <nuclide name="Fe58" wo="0.002000875025"/>
+      <nuclide name="Ni58" wo="0.059855207342"/>
+      <nuclide name="Mn55" wo="0.019794"/>
+      <nuclide name="Cr52" wo="0.157390026871"/>
+      <sab name="c_H_in_H2O"/>
     </material>
     <material id="9" name="Bottom nozzle region">
-      <density units="g/cm3" value="2.53" />
-      <nuclide name="H1" wo="0.0245014" />
-      <nuclide name="O16" wo="0.1944274" />
-      <nuclide name="B10" wo="7.89917e-05" />
-      <nuclide name="B11" wo="0.000359854" />
-      <nuclide name="Fe54" wo="0.030411411144" />
-      <nuclide name="Fe56" wo="0.495012237964" />
-      <nuclide name="Fe57" wo="0.01163454624" />
-      <nuclide name="Fe58" wo="0.001578204652" />
-      <nuclide name="Ni58" wo="0.047211231662" />
-      <nuclide name="Mn55" wo="0.0156126" />
-      <nuclide name="Cr52" wo="0.124142524198" />
-      <sab name="c_H_in_H2O" />
+      <density units="g/cm3" value="2.53"/>
+      <nuclide name="H1" wo="0.0245014"/>
+      <nuclide name="O16" wo="0.1944274"/>
+      <nuclide name="B10" wo="7.89917e-05"/>
+      <nuclide name="B11" wo="0.000359854"/>
+      <nuclide name="Fe54" wo="0.030411411144"/>
+      <nuclide name="Fe56" wo="0.495012237964"/>
+      <nuclide name="Fe57" wo="0.01163454624"/>
+      <nuclide name="Fe58" wo="0.001578204652"/>
+      <nuclide name="Ni58" wo="0.047211231662"/>
+      <nuclide name="Mn55" wo="0.0156126"/>
+      <nuclide name="Cr52" wo="0.124142524198"/>
+      <sab name="c_H_in_H2O"/>
     </material>
     <material id="10" name="Top nozzle region">
-      <density units="g/cm3" value="1.746" />
-      <nuclide name="H1" wo="0.035887" />
-      <nuclide name="O16" wo="0.2847761" />
-      <nuclide name="B10" wo="0.000115699" />
-      <nuclide name="B11" wo="0.000527075" />
-      <nuclide name="Fe54" wo="0.02644016154" />
-      <nuclide name="Fe56" wo="0.43037146399" />
-      <nuclide name="Fe57" wo="0.0101152584" />
-      <nuclide name="Fe58" wo="0.00137211607" />
-      <nuclide name="Ni58" wo="0.04104621835" />
-      <nuclide name="Mn55" wo="0.0135739" />
-      <nuclide name="Cr52" wo="0.107931450781" />
-      <sab name="c_H_in_H2O" />
+      <density units="g/cm3" value="1.746"/>
+      <nuclide name="H1" wo="0.035887"/>
+      <nuclide name="O16" wo="0.2847761"/>
+      <nuclide name="B10" wo="0.000115699"/>
+      <nuclide name="B11" wo="0.000527075"/>
+      <nuclide name="Fe54" wo="0.02644016154"/>
+      <nuclide name="Fe56" wo="0.43037146399"/>
+      <nuclide name="Fe57" wo="0.0101152584"/>
+      <nuclide name="Fe58" wo="0.00137211607"/>
+      <nuclide name="Ni58" wo="0.04104621835"/>
+      <nuclide name="Mn55" wo="0.0135739"/>
+      <nuclide name="Cr52" wo="0.107931450781"/>
+      <sab name="c_H_in_H2O"/>
     </material>
     <material id="11" name="Top of fuel assemblies">
-      <density units="g/cm3" value="3.044" />
-      <nuclide name="H1" wo="0.0162913" />
-      <nuclide name="O16" wo="0.1292776" />
-      <nuclide name="B10" wo="5.25228e-05" />
-      <nuclide name="B11" wo="0.000239272" />
-      <nuclide name="Zr90" wo="0.43313403903" />
-      <nuclide name="Zr91" wo="0.09549277374" />
-      <nuclide name="Zr92" wo="0.14759527104" />
-      <nuclide name="Zr94" wo="0.15280552077" />
-      <nuclide name="Zr96" wo="0.02511169542" />
-      <sab name="c_H_in_H2O" />
+      <density units="g/cm3" value="3.044"/>
+      <nuclide name="H1" wo="0.0162913"/>
+      <nuclide name="O16" wo="0.1292776"/>
+      <nuclide name="B10" wo="5.25228e-05"/>
+      <nuclide name="B11" wo="0.000239272"/>
+      <nuclide name="Zr90" wo="0.43313403903"/>
+      <nuclide name="Zr91" wo="0.09549277374"/>
+      <nuclide name="Zr92" wo="0.14759527104"/>
+      <nuclide name="Zr94" wo="0.15280552077"/>
+      <nuclide name="Zr96" wo="0.02511169542"/>
+      <sab name="c_H_in_H2O"/>
     </material>
     <material id="12" name="Bottom of fuel assemblies">
-      <density units="g/cm3" value="1.762" />
-      <nuclide name="H1" wo="0.0292856" />
-      <nuclide name="O16" wo="0.2323919" />
-      <nuclide name="B10" wo="9.44159e-05" />
-      <nuclide name="B11" wo="0.00043012" />
-      <nuclide name="Zr90" wo="0.3741373658" />
-      <nuclide name="Zr91" wo="0.0824858164" />
-      <nuclide name="Zr92" wo="0.1274914944" />
-      <nuclide name="Zr94" wo="0.1319920622" />
-      <nuclide name="Zr96" wo="0.0216912612" />
-      <sab name="c_H_in_H2O" />
+      <density units="g/cm3" value="1.762"/>
+      <nuclide name="H1" wo="0.0292856"/>
+      <nuclide name="O16" wo="0.2323919"/>
+      <nuclide name="B10" wo="9.44159e-05"/>
+      <nuclide name="B11" wo="0.00043012"/>
+      <nuclide name="Zr90" wo="0.3741373658"/>
+      <nuclide name="Zr91" wo="0.0824858164"/>
+      <nuclide name="Zr92" wo="0.1274914944"/>
+      <nuclide name="Zr94" wo="0.1319920622"/>
+      <nuclide name="Zr96" wo="0.0216912612"/>
+      <sab name="c_H_in_H2O"/>
     </material>
   </materials>
   <geometry>
-    <cell fill="202" id="1" region="9 -10 11 -12 13 -14" universe="0" />
-    <cell id="27" material="1" region="-1" universe="3" />
-    <cell id="28" material="2" region="1 -2" universe="3" />
-    <cell id="29" material="4" region="2" universe="3" />
-    <cell id="30" material="4" region="-3" universe="4" />
-    <cell id="31" material="2" region="3 -4" universe="4" />
-    <cell id="32" material="4" region="4" universe="4" />
-    <cell id="70" material="4" region="35 -36" universe="7" />
-    <cell fill="101" id="80" region="35 -36" universe="8" />
+    <cell fill="202" id="1" region="9 -10 11 -12 13 -14" universe="0"/>
+    <cell id="27" material="1" region="-1" universe="3"/>
+    <cell id="28" material="2" region="1 -2" universe="3"/>
+    <cell id="29" material="4" region="2" universe="3"/>
+    <cell id="30" material="4" region="-3" universe="4"/>
+    <cell id="31" material="2" region="3 -4" universe="4"/>
+    <cell id="32" material="4" region="4" universe="4"/>
+    <cell id="70" material="4" region="35 -36" universe="7"/>
+    <cell fill="101" id="80" region="35 -36" universe="8"/>
     <lattice id="101" name="Fuel assembly (upper half)">
       <pitch>1.26 1.26</pitch>
       <dimension>17 17</dimension>
@@ -190,18 +190,18 @@
 8 8 8 
 7 7 7 </universes>
     </lattice>
-    <surface coeffs="0.0 0.0 0.41" id="1" type="z-cylinder" />
-    <surface coeffs="0.0 0.0 0.475" id="2" type="z-cylinder" />
-    <surface coeffs="0.0 0.0 0.56" id="3" type="z-cylinder" />
-    <surface coeffs="0.0 0.0 0.62" id="4" type="z-cylinder" />
-    <surface boundary="reflective" coeffs="-32.13" id="9" type="x-plane" />
-    <surface boundary="reflective" coeffs="32.13" id="10" type="x-plane" />
-    <surface boundary="reflective" coeffs="-32.13" id="11" type="y-plane" />
-    <surface boundary="reflective" coeffs="32.13" id="12" type="y-plane" />
-    <surface boundary="reflective" coeffs="0" id="13" type="z-plane" />
-    <surface boundary="reflective" coeffs="32.13" id="14" type="z-plane" />
-    <surface coeffs="0.0" id="35" type="z-plane" />
-    <surface coeffs="183.0" id="36" type="z-plane" />
+    <surface coeffs="0.0 0.0 0.41" id="1" type="z-cylinder"/>
+    <surface coeffs="0.0 0.0 0.475" id="2" type="z-cylinder"/>
+    <surface coeffs="0.0 0.0 0.56" id="3" type="z-cylinder"/>
+    <surface coeffs="0.0 0.0 0.62" id="4" type="z-cylinder"/>
+    <surface boundary="reflective" coeffs="-32.13" id="9" type="x-plane"/>
+    <surface boundary="reflective" coeffs="32.13" id="10" type="x-plane"/>
+    <surface boundary="reflective" coeffs="-32.13" id="11" type="y-plane"/>
+    <surface boundary="reflective" coeffs="32.13" id="12" type="y-plane"/>
+    <surface boundary="reflective" coeffs="0" id="13" type="z-plane"/>
+    <surface boundary="reflective" coeffs="32.13" id="14" type="z-plane"/>
+    <surface coeffs="0.0" id="35" type="z-plane"/>
+    <surface coeffs="183.0" id="36" type="z-plane"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
diff --git a/tests/regression_tests/cpp_driver/inputs_true.dat b/tests/regression_tests/cpp_driver/inputs_true.dat
index cdace34f0..5d067cb68 100644
--- a/tests/regression_tests/cpp_driver/inputs_true.dat
+++ b/tests/regression_tests/cpp_driver/inputs_true.dat
@@ -2,25 +2,25 @@
 <model>
   <materials>
     <material depletable="true" id="1" name="fuel">
-      <density units="g/cc" value="11" />
-      <nuclide ao="1.0" name="U235" />
+      <density units="g/cc" value="11"/>
+      <nuclide ao="1.0" name="U235"/>
     </material>
     <material id="2" name="cladding">
-      <density units="g/cc" value="6.44" />
-      <nuclide ao="1.0" name="Zr90" />
+      <density units="g/cc" value="6.44"/>
+      <nuclide ao="1.0" name="Zr90"/>
     </material>
     <material id="3" name="water">
-      <density units="g/cc" value="1.0" />
-      <nuclide ao="2.0" name="H1" />
-      <nuclide ao="1.0" name="O16" />
+      <density units="g/cc" value="1.0"/>
+      <nuclide ao="2.0" name="H1"/>
+      <nuclide ao="1.0" name="O16"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" region="-1" universe="1" />
-    <cell id="2" material="2" region="1 -2" universe="1" />
-    <cell id="3" material="3" region="2" universe="1" />
-    <cell fill="1" id="4" universe="2" />
-    <cell fill="3" id="5" region="3 -4 5 -6" universe="4" />
+    <cell id="1" material="1" region="-1" universe="1"/>
+    <cell id="2" material="2" region="1 -2" universe="1"/>
+    <cell id="3" material="3" region="2" universe="1"/>
+    <cell fill="1" id="4" universe="2"/>
+    <cell fill="3" id="5" region="3 -4 5 -6" universe="4"/>
     <lattice id="3">
       <pitch>4.0 4.0</pitch>
       <dimension>2 2</dimension>
@@ -29,12 +29,12 @@
 2 2 
 2 2 </universes>
     </lattice>
-    <surface coeffs="0.0 0.0 1.5" id="1" type="z-cylinder" />
-    <surface coeffs="0.0 0.0 1.7" id="2" type="z-cylinder" />
-    <surface boundary="reflective" coeffs="-4.0" id="3" name="minimum x" type="x-plane" />
-    <surface boundary="reflective" coeffs="4.0" id="4" name="maximum x" type="x-plane" />
-    <surface boundary="reflective" coeffs="-4.0" id="5" name="minimum y" type="y-plane" />
-    <surface boundary="reflective" coeffs="4.0" id="6" name="maximum y" type="y-plane" />
+    <surface coeffs="0.0 0.0 1.5" id="1" type="z-cylinder"/>
+    <surface coeffs="0.0 0.0 1.7" id="2" type="z-cylinder"/>
+    <surface boundary="reflective" coeffs="-4.0" id="3" name="minimum x" type="x-plane"/>
+    <surface boundary="reflective" coeffs="4.0" id="4" name="maximum x" type="x-plane"/>
+    <surface boundary="reflective" coeffs="-4.0" id="5" name="minimum y" type="y-plane"/>
+    <surface boundary="reflective" coeffs="4.0" id="6" name="maximum y" type="y-plane"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
diff --git a/tests/regression_tests/create_fission_neutrons/inputs_true.dat b/tests/regression_tests/create_fission_neutrons/inputs_true.dat
index f79ba379c..8ee6f8b64 100644
--- a/tests/regression_tests/create_fission_neutrons/inputs_true.dat
+++ b/tests/regression_tests/create_fission_neutrons/inputs_true.dat
@@ -2,19 +2,19 @@
 <model>
   <materials>
     <material depletable="true" id="1" name="mat">
-      <density units="atom/b-cm" value="0.069335" />
-      <nuclide ao="40.0" name="H1" />
-      <nuclide ao="1.0" name="U235" />
+      <density units="atom/b-cm" value="0.069335"/>
+      <nuclide ao="40.0" name="H1"/>
+      <nuclide ao="1.0" name="U235"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="box" region="1 -2 3 -4 5 -6" universe="0" />
-    <surface boundary="reflective" coeffs="-1" id="1" type="x-plane" />
-    <surface boundary="reflective" coeffs="1" id="2" type="x-plane" />
-    <surface boundary="reflective" coeffs="-1" id="3" type="y-plane" />
-    <surface boundary="reflective" coeffs="1" id="4" type="y-plane" />
-    <surface boundary="reflective" coeffs="-1" id="5" type="z-plane" />
-    <surface boundary="reflective" coeffs="1" id="6" type="z-plane" />
+    <cell id="1" material="1" name="box" region="1 -2 3 -4 5 -6" universe="0"/>
+    <surface boundary="reflective" coeffs="-1" id="1" type="x-plane"/>
+    <surface boundary="reflective" coeffs="1" id="2" type="x-plane"/>
+    <surface boundary="reflective" coeffs="-1" id="3" type="y-plane"/>
+    <surface boundary="reflective" coeffs="1" id="4" type="y-plane"/>
+    <surface boundary="reflective" coeffs="-1" id="5" type="z-plane"/>
+    <surface boundary="reflective" coeffs="1" id="6" type="z-plane"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
@@ -24,7 +24,7 @@
       <space type="box">
         <parameters>-1 -1 -1 1 1 1</parameters>
       </space>
-      <energy parameters="988000.0 2.249e-06" type="watt" />
+      <energy parameters="988000.0 2.249e-06" type="watt"/>
     </source>
     <create_fission_neutrons>false</create_fission_neutrons>
   </settings>
diff --git a/tests/regression_tests/dagmc/external/inputs_true.dat b/tests/regression_tests/dagmc/external/inputs_true.dat
index 5547f333c..7237f4d46 100644
--- a/tests/regression_tests/dagmc/external/inputs_true.dat
+++ b/tests/regression_tests/dagmc/external/inputs_true.dat
@@ -2,18 +2,18 @@
 <model>
   <materials>
     <material depletable="true" id="40" name="no-void fuel">
-      <density units="g/cc" value="11" />
-      <nuclide ao="1.0" name="U235" />
+      <density units="g/cc" value="11"/>
+      <nuclide ao="1.0" name="U235"/>
     </material>
     <material id="41" name="water">
-      <density units="g/cc" value="1.0" />
-      <nuclide ao="2.0" name="H1" />
-      <nuclide ao="1.0" name="O16" />
-      <sab name="c_H_in_H2O" />
+      <density units="g/cc" value="1.0"/>
+      <nuclide ao="2.0" name="H1"/>
+      <nuclide ao="1.0" name="O16"/>
+      <sab name="c_H_in_H2O"/>
     </material>
   </materials>
   <geometry>
-    <dagmc_universe filename="dagmc.h5m" id="1" />
+    <dagmc_universe filename="dagmc.h5m" id="1"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
diff --git a/tests/regression_tests/dagmc/legacy/inputs_true.dat b/tests/regression_tests/dagmc/legacy/inputs_true.dat
index 89d458a2b..b6e5133a4 100644
--- a/tests/regression_tests/dagmc/legacy/inputs_true.dat
+++ b/tests/regression_tests/dagmc/legacy/inputs_true.dat
@@ -2,18 +2,18 @@
 <model>
   <materials>
     <material depletable="true" id="40" name="no-void fuel">
-      <density units="g/cc" value="11" />
-      <nuclide ao="1.0" name="U235" />
+      <density units="g/cc" value="11"/>
+      <nuclide ao="1.0" name="U235"/>
     </material>
     <material id="41" name="water">
-      <density units="g/cc" value="1.0" />
-      <nuclide ao="2.0" name="H1" />
-      <nuclide ao="1.0" name="O16" />
-      <sab name="c_H_in_H2O" />
+      <density units="g/cc" value="1.0"/>
+      <nuclide ao="2.0" name="H1"/>
+      <nuclide ao="1.0" name="O16"/>
+      <sab name="c_H_in_H2O"/>
     </material>
   </materials>
   <geometry>
-    <dagmc_universe filename="dagmc.h5m" id="1" />
+    <dagmc_universe filename="dagmc.h5m" id="1"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
diff --git a/tests/regression_tests/dagmc/refl/inputs_true.dat b/tests/regression_tests/dagmc/refl/inputs_true.dat
index 894d50104..126702e38 100644
--- a/tests/regression_tests/dagmc/refl/inputs_true.dat
+++ b/tests/regression_tests/dagmc/refl/inputs_true.dat
@@ -3,7 +3,7 @@
   <materials>
   </materials>
   <geometry>
-    <dagmc_universe auto_geom_ids="true" filename="dagmc.h5m" id="1" />
+    <dagmc_universe auto_geom_ids="true" filename="dagmc.h5m" id="1"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
diff --git a/tests/regression_tests/dagmc/universes/inputs_true.dat b/tests/regression_tests/dagmc/universes/inputs_true.dat
index b88e83df4..babf43ff1 100644
--- a/tests/regression_tests/dagmc/universes/inputs_true.dat
+++ b/tests/regression_tests/dagmc/universes/inputs_true.dat
@@ -2,32 +2,32 @@
 <model>
   <materials>
     <material depletable="true" id="1" name="no-void fuel">
-      <density units="g/cc" value="10.29769" />
-      <nuclide ao="0.93120485" name="U234" />
-      <nuclide ao="0.00055815" name="U235" />
-      <nuclide ao="0.022408" name="U238" />
-      <nuclide ao="0.045829" name="O16" />
+      <density units="g/cc" value="10.29769"/>
+      <nuclide ao="0.93120485" name="U234"/>
+      <nuclide ao="0.00055815" name="U235"/>
+      <nuclide ao="0.022408" name="U238"/>
+      <nuclide ao="0.045829" name="O16"/>
     </material>
     <material id="2" name="clad">
-      <density units="g/cc" value="6.55" />
-      <nuclide ao="0.021827" name="Zr90" />
-      <nuclide ao="0.00476" name="Zr91" />
-      <nuclide ao="0.0072758" name="Zr92" />
-      <nuclide ao="0.0073734" name="Zr94" />
-      <nuclide ao="0.0011879" name="Zr96" />
+      <density units="g/cc" value="6.55"/>
+      <nuclide ao="0.021827" name="Zr90"/>
+      <nuclide ao="0.00476" name="Zr91"/>
+      <nuclide ao="0.0072758" name="Zr92"/>
+      <nuclide ao="0.0073734" name="Zr94"/>
+      <nuclide ao="0.0011879" name="Zr96"/>
     </material>
     <material id="3" name="water">
-      <density units="g/cc" value="0.740582" />
-      <nuclide ao="0.049457" name="H1" />
-      <nuclide ao="0.024672" name="O16" />
-      <nuclide ao="8.0042e-06" name="B10" />
-      <nuclide ao="3.2218e-05" name="B11" />
-      <sab name="c_H_in_H2O" />
+      <density units="g/cc" value="0.740582"/>
+      <nuclide ao="0.049457" name="H1"/>
+      <nuclide ao="0.024672" name="O16"/>
+      <nuclide ao="8.0042e-06" name="B10"/>
+      <nuclide ao="3.2218e-05" name="B11"/>
+      <sab name="c_H_in_H2O"/>
     </material>
   </materials>
   <geometry>
-    <cell fill="4" id="1" region="1 -2 3 -4 5 -6" universe="5" />
-    <dagmc_universe auto_geom_ids="true" filename="dagmc.h5m" id="1" />
+    <cell fill="4" id="1" region="1 -2 3 -4 5 -6" universe="5"/>
+    <dagmc_universe auto_geom_ids="true" filename="dagmc.h5m" id="1"/>
     <lattice id="4">
       <pitch>24.0 24.0</pitch>
       <dimension>2 2</dimension>
@@ -36,12 +36,12 @@
 1 1 
 1 1 </universes>
     </lattice>
-    <surface boundary="reflective" coeffs="-24.0" id="1" name="left" type="x-plane" />
-    <surface boundary="reflective" coeffs="24.0" id="2" name="right" type="x-plane" />
-    <surface boundary="reflective" coeffs="-24.0" id="3" name="front" type="y-plane" />
-    <surface boundary="reflective" coeffs="24.0" id="4" name="back" type="y-plane" />
-    <surface boundary="reflective" coeffs="-10.0" id="5" name="bottom" type="z-plane" />
-    <surface boundary="reflective" coeffs="10.0" id="6" name="top" type="z-plane" />
+    <surface boundary="reflective" coeffs="-24.0" id="1" name="left" type="x-plane"/>
+    <surface boundary="reflective" coeffs="24.0" id="2" name="right" type="x-plane"/>
+    <surface boundary="reflective" coeffs="-24.0" id="3" name="front" type="y-plane"/>
+    <surface boundary="reflective" coeffs="24.0" id="4" name="back" type="y-plane"/>
+    <surface boundary="reflective" coeffs="-10.0" id="5" name="bottom" type="z-plane"/>
+    <surface boundary="reflective" coeffs="10.0" id="6" name="top" type="z-plane"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
diff --git a/tests/regression_tests/dagmc/uwuw/inputs_true.dat b/tests/regression_tests/dagmc/uwuw/inputs_true.dat
index 07384b625..e6537a30e 100644
--- a/tests/regression_tests/dagmc/uwuw/inputs_true.dat
+++ b/tests/regression_tests/dagmc/uwuw/inputs_true.dat
@@ -3,7 +3,7 @@
   <materials>
   </materials>
   <geometry>
-    <dagmc_universe filename="dagmc.h5m" id="1" />
+    <dagmc_universe filename="dagmc.h5m" id="1"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
diff --git a/tests/regression_tests/deplete_with_transport/last_step_reference_materials.xml b/tests/regression_tests/deplete_with_transport/last_step_reference_materials.xml
index d38e8f96f..fc0b87eb0 100644
--- a/tests/regression_tests/deplete_with_transport/last_step_reference_materials.xml
+++ b/tests/regression_tests/deplete_with_transport/last_step_reference_materials.xml
@@ -1,1057 +1,1057 @@
 <?xml version='1.0' encoding='utf-8'?>
 <materials>
   <material depletable="true" id="1" temperature="293.6" volume="0.06674732823364922">
-    <density units="sum" />
-    <nuclide ao="0.046295399999999994" name="O16" />
-    <nuclide ao="0.00011276839999999999" name="O17" />
-    <nuclide ao="4.418048979824424e-07" name="Cs135" />
-    <nuclide ao="7.25497932072497e-09" name="Gd156" />
-    <nuclide ao="4.6150717323028846e-10" name="Gd157" />
-    <nuclide ao="8.610759132296853e-09" name="I135" />
-    <nuclide ao="1.0044759509631791e-05" name="U234" />
-    <nuclide ao="0.0010213199681434208" name="U235" />
-    <nuclide ao="0.022134492490418312" name="U238" />
-    <nuclide ao="4.8988835309280406e-09" name="Xe135" />
-    <nuclide ao="1.5016036273208697e-06" name="Xe136" />
+    <density units="sum"/>
+    <nuclide ao="0.046295399999999994" name="O16"/>
+    <nuclide ao="0.00011276839999999999" name="O17"/>
+    <nuclide ao="4.418048979824424e-07" name="Cs135"/>
+    <nuclide ao="7.25497932072497e-09" name="Gd156"/>
+    <nuclide ao="4.6150717323028846e-10" name="Gd157"/>
+    <nuclide ao="8.610759132296853e-09" name="I135"/>
+    <nuclide ao="1.0044759509631791e-05" name="U234"/>
+    <nuclide ao="0.0010213199681434208" name="U235"/>
+    <nuclide ao="0.022134492490418312" name="U238"/>
+    <nuclide ao="4.8988835309280406e-09" name="Xe135"/>
+    <nuclide ao="1.5016036273208697e-06" name="Xe136"/>
   </material>
   <material depletable="true" id="2" temperature="293.6" volume="0.06674732823364922">
-    <density units="sum" />
-    <nuclide ao="0.046295399999999994" name="O16" />
-    <nuclide ao="0.00011276839999999999" name="O17" />
-    <nuclide ao="4.7109992148358017e-07" name="Cs135" />
-    <nuclide ao="7.042063886012849e-09" name="Gd156" />
-    <nuclide ao="6.027071902372695e-10" name="Gd157" />
-    <nuclide ao="7.95412959144086e-09" name="I135" />
-    <nuclide ao="1.0044351820092838e-05" name="U234" />
-    <nuclide ao="0.001024086327318598" name="U235" />
-    <nuclide ao="0.0221342327478446" name="U238" />
-    <nuclide ao="4.9730371223377224e-09" name="Xe135" />
-    <nuclide ao="1.3283930207935904e-06" name="Xe136" />
+    <density units="sum"/>
+    <nuclide ao="0.046295399999999994" name="O16"/>
+    <nuclide ao="0.00011276839999999999" name="O17"/>
+    <nuclide ao="4.7109992148358017e-07" name="Cs135"/>
+    <nuclide ao="7.042063886012849e-09" name="Gd156"/>
+    <nuclide ao="6.027071902372695e-10" name="Gd157"/>
+    <nuclide ao="7.95412959144086e-09" name="I135"/>
+    <nuclide ao="1.0044351820092838e-05" name="U234"/>
+    <nuclide ao="0.001024086327318598" name="U235"/>
+    <nuclide ao="0.0221342327478446" name="U238"/>
+    <nuclide ao="4.9730371223377224e-09" name="Xe135"/>
+    <nuclide ao="1.3283930207935904e-06" name="Xe136"/>
   </material>
   <material depletable="true" id="3" temperature="293.6" volume="0.06674732823364922">
-    <density units="sum" />
-    <nuclide ao="0.046295399999999994" name="O16" />
-    <nuclide ao="0.00011276839999999999" name="O17" />
-    <nuclide ao="4.519688238646543e-07" name="Cs135" />
-    <nuclide ao="7.390520655992046e-09" name="Gd156" />
-    <nuclide ao="6.113962449652282e-10" name="Gd157" />
-    <nuclide ao="7.33942627716833e-09" name="I135" />
-    <nuclide ao="1.0044458911828105e-05" name="U234" />
-    <nuclide ao="0.0010213846057514214" name="U235" />
-    <nuclide ao="0.022134283218172325" name="U238" />
-    <nuclide ao="5.052047258832601e-09" name="Xe135" />
-    <nuclide ao="1.4925022858546866e-06" name="Xe136" />
+    <density units="sum"/>
+    <nuclide ao="0.046295399999999994" name="O16"/>
+    <nuclide ao="0.00011276839999999999" name="O17"/>
+    <nuclide ao="4.519688238646543e-07" name="Cs135"/>
+    <nuclide ao="7.390520655992046e-09" name="Gd156"/>
+    <nuclide ao="6.113962449652282e-10" name="Gd157"/>
+    <nuclide ao="7.33942627716833e-09" name="I135"/>
+    <nuclide ao="1.0044458911828105e-05" name="U234"/>
+    <nuclide ao="0.0010213846057514214" name="U235"/>
+    <nuclide ao="0.022134283218172325" name="U238"/>
+    <nuclide ao="5.052047258832601e-09" name="Xe135"/>
+    <nuclide ao="1.4925022858546866e-06" name="Xe136"/>
   </material>
   <material depletable="true" id="4" temperature="293.6" volume="0.06674732823364922">
-    <density units="sum" />
-    <nuclide ao="0.046295399999999994" name="O16" />
-    <nuclide ao="0.00011276839999999999" name="O17" />
-    <nuclide ao="4.6103855622977077e-07" name="Cs135" />
-    <nuclide ao="7.2542350965307454e-09" name="Gd156" />
-    <nuclide ao="4.694384498726491e-10" name="Gd157" />
-    <nuclide ao="8.999632513597842e-09" name="I135" />
-    <nuclide ao="1.0044557857513163e-05" name="U234" />
-    <nuclide ao="0.0010213889405602502" name="U235" />
-    <nuclide ao="0.022134477440113057" name="U238" />
-    <nuclide ao="5.198618333967504e-09" name="Xe135" />
-    <nuclide ao="1.4782292624287545e-06" name="Xe136" />
+    <density units="sum"/>
+    <nuclide ao="0.046295399999999994" name="O16"/>
+    <nuclide ao="0.00011276839999999999" name="O17"/>
+    <nuclide ao="4.6103855622977077e-07" name="Cs135"/>
+    <nuclide ao="7.2542350965307454e-09" name="Gd156"/>
+    <nuclide ao="4.694384498726491e-10" name="Gd157"/>
+    <nuclide ao="8.999632513597842e-09" name="I135"/>
+    <nuclide ao="1.0044557857513163e-05" name="U234"/>
+    <nuclide ao="0.0010213889405602502" name="U235"/>
+    <nuclide ao="0.022134477440113057" name="U238"/>
+    <nuclide ao="5.198618333967504e-09" name="Xe135"/>
+    <nuclide ao="1.4782292624287545e-06" name="Xe136"/>
   </material>
   <material depletable="true" id="5" temperature="293.6" volume="0.06674732823364922">
-    <density units="sum" />
-    <nuclide ao="0.0464035" name="O16" />
-    <nuclide ao="4.606890661382998e-07" name="Cs135" />
-    <nuclide ao="4.453011839512314e-09" name="Gd156" />
-    <nuclide ao="6.452882105106179e-05" name="Gd157" />
-    <nuclide ao="5.350905357185787e-09" name="I135" />
-    <nuclide ao="9.99407627854616e-22" name="U234" />
-    <nuclide ao="0.0010186933910475504" name="U235" />
-    <nuclide ao="0.021691769738241762" name="U238" />
-    <nuclide ao="6.032753974421699e-09" name="Xe135" />
-    <nuclide ao="4.883342566123616e-07" name="Xe136" />
+    <density units="sum"/>
+    <nuclide ao="0.0464035" name="O16"/>
+    <nuclide ao="4.606890661382998e-07" name="Cs135"/>
+    <nuclide ao="4.453011839512314e-09" name="Gd156"/>
+    <nuclide ao="6.452882105106179e-05" name="Gd157"/>
+    <nuclide ao="5.350905357185787e-09" name="I135"/>
+    <nuclide ao="9.99407627854616e-22" name="U234"/>
+    <nuclide ao="0.0010186933910475504" name="U235"/>
+    <nuclide ao="0.021691769738241762" name="U238"/>
+    <nuclide ao="6.032753974421699e-09" name="Xe135"/>
+    <nuclide ao="4.883342566123616e-07" name="Xe136"/>
   </material>
   <material depletable="true" id="6" temperature="293.6" volume="0.06674732823364922">
-    <density units="sum" />
-    <nuclide ao="0.046295399999999994" name="O16" />
-    <nuclide ao="0.00011276839999999999" name="O17" />
-    <nuclide ao="4.5448917833325217e-07" name="Cs135" />
-    <nuclide ao="7.987183366220764e-09" name="Gd156" />
-    <nuclide ao="4.865379811569636e-10" name="Gd157" />
-    <nuclide ao="8.523326230817669e-09" name="I135" />
-    <nuclide ao="1.0044496776626355e-05" name="U234" />
-    <nuclide ao="0.001017579906635896" name="U235" />
-    <nuclide ao="0.022134265683938482" name="U238" />
-    <nuclide ao="4.869820762518204e-09" name="Xe135" />
-    <nuclide ao="1.6938385668838631e-06" name="Xe136" />
+    <density units="sum"/>
+    <nuclide ao="0.046295399999999994" name="O16"/>
+    <nuclide ao="0.00011276839999999999" name="O17"/>
+    <nuclide ao="4.5448917833325217e-07" name="Cs135"/>
+    <nuclide ao="7.987183366220764e-09" name="Gd156"/>
+    <nuclide ao="4.865379811569636e-10" name="Gd157"/>
+    <nuclide ao="8.523326230817669e-09" name="I135"/>
+    <nuclide ao="1.0044496776626355e-05" name="U234"/>
+    <nuclide ao="0.001017579906635896" name="U235"/>
+    <nuclide ao="0.022134265683938482" name="U238"/>
+    <nuclide ao="4.869820762518204e-09" name="Xe135"/>
+    <nuclide ao="1.6938385668838631e-06" name="Xe136"/>
   </material>
   <material depletable="true" id="7" temperature="293.6" volume="0.06674732823364922">
-    <density units="sum" />
-    <nuclide ao="0.046295399999999994" name="O16" />
-    <nuclide ao="0.00011276839999999999" name="O17" />
-    <nuclide ao="4.365851592857002e-07" name="Cs135" />
-    <nuclide ao="7.885461636096879e-09" name="Gd156" />
-    <nuclide ao="3.606387104885962e-10" name="Gd157" />
-    <nuclide ao="1.1369672407585595e-08" name="I135" />
-    <nuclide ao="1.0044357533457873e-05" name="U234" />
-    <nuclide ao="0.0010176281979778817" name="U235" />
-    <nuclide ao="0.022134386603591637" name="U238" />
-    <nuclide ao="5.3728946681073756e-09" name="Xe135" />
-    <nuclide ao="1.7038388307541218e-06" name="Xe136" />
+    <density units="sum"/>
+    <nuclide ao="0.046295399999999994" name="O16"/>
+    <nuclide ao="0.00011276839999999999" name="O17"/>
+    <nuclide ao="4.365851592857002e-07" name="Cs135"/>
+    <nuclide ao="7.885461636096879e-09" name="Gd156"/>
+    <nuclide ao="3.606387104885962e-10" name="Gd157"/>
+    <nuclide ao="1.1369672407585595e-08" name="I135"/>
+    <nuclide ao="1.0044357533457873e-05" name="U234"/>
+    <nuclide ao="0.0010176281979778817" name="U235"/>
+    <nuclide ao="0.022134386603591637" name="U238"/>
+    <nuclide ao="5.3728946681073756e-09" name="Xe135"/>
+    <nuclide ao="1.7038388307541218e-06" name="Xe136"/>
   </material>
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-    <nuclide ao="2.046679694527426e-06" name="Xe136" />
+    <density units="sum"/>
+    <nuclide ao="0.046295399999999994" name="O16"/>
+    <nuclide ao="0.00011276839999999999" name="O17"/>
+    <nuclide ao="4.6649971611519487e-07" name="Cs135"/>
+    <nuclide ao="9.025781285565924e-09" name="Gd156"/>
+    <nuclide ao="3.1907017092468375e-10" name="Gd157"/>
+    <nuclide ao="1.4711477971416576e-08" name="I135"/>
+    <nuclide ao="1.0043737061582427e-05" name="U234"/>
+    <nuclide ao="0.0010106766372541289" name="U235"/>
+    <nuclide ao="0.022134240991070177" name="U238"/>
+    <nuclide ao="5.458886765350308e-09" name="Xe135"/>
+    <nuclide ao="2.046679694527426e-06" name="Xe136"/>
   </material>
   <material depletable="true" id="71" temperature="293.6" volume="0.06674732823364922">
-    <density units="sum" />
-    <nuclide ao="0.046295399999999994" name="O16" />
-    <nuclide ao="0.00011276839999999999" name="O17" />
-    <nuclide ao="4.6163611951434233e-07" name="Cs135" />
-    <nuclide ao="8.092676349588978e-09" name="Gd156" />
-    <nuclide ao="4.0155978971538995e-10" name="Gd157" />
-    <nuclide ao="1.1255710238096574e-08" name="I135" />
-    <nuclide ao="1.004408015645573e-05" name="U234" />
-    <nuclide ao="0.0010160767932069026" name="U235" />
-    <nuclide ao="0.02213440485813173" name="U238" />
-    <nuclide ao="6.106545578915884e-09" name="Xe135" />
-    <nuclide ao="1.7613053602979686e-06" name="Xe136" />
+    <density units="sum"/>
+    <nuclide ao="0.046295399999999994" name="O16"/>
+    <nuclide ao="0.00011276839999999999" name="O17"/>
+    <nuclide ao="4.6163611951434233e-07" name="Cs135"/>
+    <nuclide ao="8.092676349588978e-09" name="Gd156"/>
+    <nuclide ao="4.0155978971538995e-10" name="Gd157"/>
+    <nuclide ao="1.1255710238096574e-08" name="I135"/>
+    <nuclide ao="1.004408015645573e-05" name="U234"/>
+    <nuclide ao="0.0010160767932069026" name="U235"/>
+    <nuclide ao="0.02213440485813173" name="U238"/>
+    <nuclide ao="6.106545578915884e-09" name="Xe135"/>
+    <nuclide ao="1.7613053602979686e-06" name="Xe136"/>
   </material>
   <material depletable="true" id="72" temperature="293.6" volume="0.06674732823364922">
-    <density units="sum" />
-    <nuclide ao="0.046295399999999994" name="O16" />
-    <nuclide ao="0.00011276839999999999" name="O17" />
-    <nuclide ao="4.5571123667085124e-07" name="Cs135" />
-    <nuclide ao="6.92888783217973e-09" name="Gd156" />
-    <nuclide ao="4.375317133467861e-10" name="Gd157" />
-    <nuclide ao="8.93489066848444e-09" name="I135" />
-    <nuclide ao="1.004461017444276e-05" name="U234" />
-    <nuclide ao="0.0010236806449050182" name="U235" />
-    <nuclide ao="0.02213444447231895" name="U238" />
-    <nuclide ao="5.2257746760182805e-09" name="Xe135" />
-    <nuclide ao="1.360904087177153e-06" name="Xe136" />
+    <density units="sum"/>
+    <nuclide ao="0.046295399999999994" name="O16"/>
+    <nuclide ao="0.00011276839999999999" name="O17"/>
+    <nuclide ao="4.5571123667085124e-07" name="Cs135"/>
+    <nuclide ao="6.92888783217973e-09" name="Gd156"/>
+    <nuclide ao="4.375317133467861e-10" name="Gd157"/>
+    <nuclide ao="8.93489066848444e-09" name="I135"/>
+    <nuclide ao="1.004461017444276e-05" name="U234"/>
+    <nuclide ao="0.0010236806449050182" name="U235"/>
+    <nuclide ao="0.02213444447231895" name="U238"/>
+    <nuclide ao="5.2257746760182805e-09" name="Xe135"/>
+    <nuclide ao="1.360904087177153e-06" name="Xe136"/>
   </material>
   <material id="73" temperature="293.6" volume="0.017528298008244847">
-    <density units="sum" />
-    <nuclide ao="3.3864599999999994e-05" name="N14" />
-    <nuclide ao="1.23717e-07" name="N15" />
-    <nuclide ao="7.86548e-06" name="O16" />
-    <nuclide ao="2.9954799999999997e-09" name="O17" />
+    <density units="sum"/>
+    <nuclide ao="3.3864599999999994e-05" name="N14"/>
+    <nuclide ao="1.23717e-07" name="N15"/>
+    <nuclide ao="7.86548e-06" name="O16"/>
+    <nuclide ao="2.9954799999999997e-09" name="O17"/>
   </material>
   <material id="74" temperature="293.6" volume="0.16066450553933276">
-    <density units="sum" />
-    <nuclide ao="3.2962e-06" name="Cr50" />
-    <nuclide ao="6.35639e-05" name="Cr52" />
-    <nuclide ao="7.20763e-06" name="Cr53" />
-    <nuclide ao="1.7941299999999999e-06" name="Cr54" />
-    <nuclide ao="5.573499999999999e-06" name="Fe54" />
-    <nuclide ao="8.749209999999999e-05" name="Fe56" />
-    <nuclide ao="2.0205699999999998e-06" name="Fe57" />
-    <nuclide ao="2.6890099999999995e-07" name="Fe58" />
-    <nuclide ao="2.51631e-05" name="Ni58" />
-    <nuclide ao="9.69278e-06" name="Ni60" />
-    <nuclide ao="4.21338e-07" name="Ni61" />
-    <nuclide ao="1.34341e-06" name="Ni62" />
-    <nuclide ao="3.43127e-07" name="Ni64" />
-    <nuclide ao="0.000307427" name="O16" />
-    <nuclide ao="7.488679999999999e-07" name="O17" />
-    <nuclide ao="4.67352e-06" name="Sn112" />
-    <nuclide ao="3.17992e-06" name="Sn114" />
-    <nuclide ao="1.6381399999999999e-06" name="Sn115" />
-    <nuclide ao="7.005459999999999e-05" name="Sn116" />
-    <nuclide ao="3.70027e-05" name="Sn117" />
-    <nuclide ao="0.00011669399999999999" name="Sn118" />
-    <nuclide ao="4.1387199999999996e-05" name="Sn119" />
-    <nuclide ao="0.00015697299999999998" name="Sn120" />
-    <nuclide ao="2.23076e-05" name="Sn122" />
-    <nuclide ao="2.7896599999999996e-05" name="Sn124" />
-    <nuclide ao="0.021831999999999997" name="Zr90" />
-    <nuclide ao="0.004761039999999999" name="Zr91" />
-    <nuclide ao="0.007277339999999999" name="Zr92" />
-    <nuclide ao="0.007374939999999999" name="Zr94" />
-    <nuclide ao="0.00118814" name="Zr96" />
+    <density units="sum"/>
+    <nuclide ao="3.2962e-06" name="Cr50"/>
+    <nuclide ao="6.35639e-05" name="Cr52"/>
+    <nuclide ao="7.20763e-06" name="Cr53"/>
+    <nuclide ao="1.7941299999999999e-06" name="Cr54"/>
+    <nuclide ao="5.573499999999999e-06" name="Fe54"/>
+    <nuclide ao="8.749209999999999e-05" name="Fe56"/>
+    <nuclide ao="2.0205699999999998e-06" name="Fe57"/>
+    <nuclide ao="2.6890099999999995e-07" name="Fe58"/>
+    <nuclide ao="2.51631e-05" name="Ni58"/>
+    <nuclide ao="9.69278e-06" name="Ni60"/>
+    <nuclide ao="4.21338e-07" name="Ni61"/>
+    <nuclide ao="1.34341e-06" name="Ni62"/>
+    <nuclide ao="3.43127e-07" name="Ni64"/>
+    <nuclide ao="0.000307427" name="O16"/>
+    <nuclide ao="7.488679999999999e-07" name="O17"/>
+    <nuclide ao="4.67352e-06" name="Sn112"/>
+    <nuclide ao="3.17992e-06" name="Sn114"/>
+    <nuclide ao="1.6381399999999999e-06" name="Sn115"/>
+    <nuclide ao="7.005459999999999e-05" name="Sn116"/>
+    <nuclide ao="3.70027e-05" name="Sn117"/>
+    <nuclide ao="0.00011669399999999999" name="Sn118"/>
+    <nuclide ao="4.1387199999999996e-05" name="Sn119"/>
+    <nuclide ao="0.00015697299999999998" name="Sn120"/>
+    <nuclide ao="2.23076e-05" name="Sn122"/>
+    <nuclide ao="2.7896599999999996e-05" name="Sn124"/>
+    <nuclide ao="0.021831999999999997" name="Zr90"/>
+    <nuclide ao="0.004761039999999999" name="Zr91"/>
+    <nuclide ao="0.007277339999999999" name="Zr92"/>
+    <nuclide ao="0.007374939999999999" name="Zr94"/>
+    <nuclide ao="0.00118814" name="Zr96"/>
   </material>
   <material id="75" temperature="293.6" volume="0.8803968514832288">
-    <density units="sum" />
-    <nuclide ao="0.046806299999999995" name="H1" />
-    <nuclide ao="0.023342699999999997" name="O16" />
-    <nuclide ao="8.890859999999999e-06" name="O17" />
-    <sab name="c_H_in_H2O" />
+    <density units="sum"/>
+    <nuclide ao="0.046806299999999995" name="H1"/>
+    <nuclide ao="0.023342699999999997" name="O16"/>
+    <nuclide ao="8.890859999999999e-06" name="O17"/>
+    <sab name="c_H_in_H2O"/>
   </material>
   <material id="76" temperature="293.6" volume="0.8803968514832288">
-    <density units="sum" />
-    <nuclide ao="0.046806299999999995" name="H1" />
-    <nuclide ao="0.023342699999999997" name="O16" />
-    <nuclide ao="8.890859999999999e-06" name="O17" />
-    <sab name="c_H_in_H2O" />
+    <density units="sum"/>
+    <nuclide ao="0.046806299999999995" name="H1"/>
+    <nuclide ao="0.023342699999999997" name="O16"/>
+    <nuclide ao="8.890859999999999e-06" name="O17"/>
+    <sab name="c_H_in_H2O"/>
   </material>
 </materials>
diff --git a/tests/regression_tests/diff_tally/inputs_true.dat b/tests/regression_tests/diff_tally/inputs_true.dat
index 99697a1e9..5fad7175d 100644
--- a/tests/regression_tests/diff_tally/inputs_true.dat
+++ b/tests/regression_tests/diff_tally/inputs_true.dat
@@ -2,181 +2,181 @@
 <model>
   <materials>
     <material depletable="true" id="1" name="UOX fuel">
-      <density units="g/cm3" value="10.062" />
-      <nuclide ao="4.9476e-06" name="U234" />
-      <nuclide ao="0.00048218" name="U235" />
-      <nuclide ao="0.021504" name="U238" />
-      <nuclide ao="1.0801e-08" name="Xe135" />
-      <nuclide ao="0.045737" name="O16" />
+      <density units="g/cm3" value="10.062"/>
+      <nuclide ao="4.9476e-06" name="U234"/>
+      <nuclide ao="0.00048218" name="U235"/>
+      <nuclide ao="0.021504" name="U238"/>
+      <nuclide ao="1.0801e-08" name="Xe135"/>
+      <nuclide ao="0.045737" name="O16"/>
     </material>
     <material id="2" name="Zircaloy">
-      <density units="g/cm3" value="5.77" />
-      <nuclide ao="0.5145" name="Zr90" />
-      <nuclide ao="0.1122" name="Zr91" />
-      <nuclide ao="0.1715" name="Zr92" />
-      <nuclide ao="0.1738" name="Zr94" />
-      <nuclide ao="0.028" name="Zr96" />
+      <density units="g/cm3" value="5.77"/>
+      <nuclide ao="0.5145" name="Zr90"/>
+      <nuclide ao="0.1122" name="Zr91"/>
+      <nuclide ao="0.1715" name="Zr92"/>
+      <nuclide ao="0.1738" name="Zr94"/>
+      <nuclide ao="0.028" name="Zr96"/>
     </material>
     <material id="3" name="Cold borated water">
-      <density units="atom/b-cm" value="0.07416" />
-      <nuclide ao="2.0" name="H1" />
-      <nuclide ao="1.0" name="O16" />
-      <nuclide ao="0.000649" name="B10" />
-      <nuclide ao="0.002689" name="B11" />
-      <sab name="c_H_in_H2O" />
+      <density units="atom/b-cm" value="0.07416"/>
+      <nuclide ao="2.0" name="H1"/>
+      <nuclide ao="1.0" name="O16"/>
+      <nuclide ao="0.000649" name="B10"/>
+      <nuclide ao="0.002689" name="B11"/>
+      <sab name="c_H_in_H2O"/>
     </material>
     <material id="4" name="Hot borated water">
-      <density units="atom/b-cm" value="0.06614" />
-      <nuclide ao="2.0" name="H1" />
-      <nuclide ao="1.0" name="O16" />
-      <nuclide ao="0.000649" name="B10" />
-      <nuclide ao="0.002689" name="B11" />
-      <sab name="c_H_in_H2O" />
+      <density units="atom/b-cm" value="0.06614"/>
+      <nuclide ao="2.0" name="H1"/>
+      <nuclide ao="1.0" name="O16"/>
+      <nuclide ao="0.000649" name="B10"/>
+      <nuclide ao="0.002689" name="B11"/>
+      <sab name="c_H_in_H2O"/>
     </material>
     <material id="5" name="Reactor pressure vessel steel">
-      <density units="g/cm3" value="7.9" />
-      <nuclide name="Fe54" wo="0.05437098" />
-      <nuclide name="Fe56" wo="0.88500663" />
-      <nuclide name="Fe57" wo="0.0208008" />
-      <nuclide name="Fe58" wo="0.00282159" />
-      <nuclide name="Ni58" wo="0.0067198" />
-      <nuclide name="Ni60" wo="0.0026776" />
-      <nuclide name="Mn55" wo="0.01" />
-      <nuclide name="Cr52" wo="0.002092475" />
-      <nuclide name="C0" wo="0.0025" />
-      <nuclide name="Cu63" wo="0.0013696" />
+      <density units="g/cm3" value="7.9"/>
+      <nuclide name="Fe54" wo="0.05437098"/>
+      <nuclide name="Fe56" wo="0.88500663"/>
+      <nuclide name="Fe57" wo="0.0208008"/>
+      <nuclide name="Fe58" wo="0.00282159"/>
+      <nuclide name="Ni58" wo="0.0067198"/>
+      <nuclide name="Ni60" wo="0.0026776"/>
+      <nuclide name="Mn55" wo="0.01"/>
+      <nuclide name="Cr52" wo="0.002092475"/>
+      <nuclide name="C0" wo="0.0025"/>
+      <nuclide name="Cu63" wo="0.0013696"/>
     </material>
     <material id="6" name="Lower radial reflector">
-      <density units="g/cm3" value="4.32" />
-      <nuclide name="H1" wo="0.0095661" />
-      <nuclide name="O16" wo="0.0759107" />
-      <nuclide name="B10" wo="3.08409e-05" />
-      <nuclide name="B11" wo="0.000140499" />
-      <nuclide name="Fe54" wo="0.035620772088" />
-      <nuclide name="Fe56" wo="0.579805982228" />
-      <nuclide name="Fe57" wo="0.01362750048" />
-      <nuclide name="Fe58" wo="0.001848545204" />
-      <nuclide name="Ni58" wo="0.055298376566" />
-      <nuclide name="Mn55" wo="0.018287" />
-      <nuclide name="Cr52" wo="0.145407678031" />
-      <sab name="c_H_in_H2O" />
+      <density units="g/cm3" value="4.32"/>
+      <nuclide name="H1" wo="0.0095661"/>
+      <nuclide name="O16" wo="0.0759107"/>
+      <nuclide name="B10" wo="3.08409e-05"/>
+      <nuclide name="B11" wo="0.000140499"/>
+      <nuclide name="Fe54" wo="0.035620772088"/>
+      <nuclide name="Fe56" wo="0.579805982228"/>
+      <nuclide name="Fe57" wo="0.01362750048"/>
+      <nuclide name="Fe58" wo="0.001848545204"/>
+      <nuclide name="Ni58" wo="0.055298376566"/>
+      <nuclide name="Mn55" wo="0.018287"/>
+      <nuclide name="Cr52" wo="0.145407678031"/>
+      <sab name="c_H_in_H2O"/>
     </material>
     <material id="7" name="Upper radial reflector / Top plate region">
-      <density units="g/cm3" value="4.28" />
-      <nuclide name="H1" wo="0.0086117" />
-      <nuclide name="O16" wo="0.0683369" />
-      <nuclide name="B10" wo="2.77638e-05" />
-      <nuclide name="B11" wo="0.000126481" />
-      <nuclide name="Fe54" wo="0.035953677186" />
-      <nuclide name="Fe56" wo="0.585224740891" />
-      <nuclide name="Fe57" wo="0.01375486056" />
-      <nuclide name="Fe58" wo="0.001865821363" />
-      <nuclide name="Ni58" wo="0.055815129186" />
-      <nuclide name="Mn55" wo="0.0184579" />
-      <nuclide name="Cr52" wo="0.146766614995" />
-      <sab name="c_H_in_H2O" />
+      <density units="g/cm3" value="4.28"/>
+      <nuclide name="H1" wo="0.0086117"/>
+      <nuclide name="O16" wo="0.0683369"/>
+      <nuclide name="B10" wo="2.77638e-05"/>
+      <nuclide name="B11" wo="0.000126481"/>
+      <nuclide name="Fe54" wo="0.035953677186"/>
+      <nuclide name="Fe56" wo="0.585224740891"/>
+      <nuclide name="Fe57" wo="0.01375486056"/>
+      <nuclide name="Fe58" wo="0.001865821363"/>
+      <nuclide name="Ni58" wo="0.055815129186"/>
+      <nuclide name="Mn55" wo="0.0184579"/>
+      <nuclide name="Cr52" wo="0.146766614995"/>
+      <sab name="c_H_in_H2O"/>
     </material>
     <material id="8" name="Bottom plate region">
-      <density units="g/cm3" value="7.184" />
-      <nuclide name="H1" wo="0.0011505" />
-      <nuclide name="O16" wo="0.0091296" />
-      <nuclide name="B10" wo="3.70915e-06" />
-      <nuclide name="B11" wo="1.68974e-05" />
-      <nuclide name="Fe54" wo="0.03855611055" />
-      <nuclide name="Fe56" wo="0.627585036425" />
-      <nuclide name="Fe57" wo="0.014750478" />
-      <nuclide name="Fe58" wo="0.002000875025" />
-      <nuclide name="Ni58" wo="0.059855207342" />
-      <nuclide name="Mn55" wo="0.019794" />
-      <nuclide name="Cr52" wo="0.157390026871" />
-      <sab name="c_H_in_H2O" />
+      <density units="g/cm3" value="7.184"/>
+      <nuclide name="H1" wo="0.0011505"/>
+      <nuclide name="O16" wo="0.0091296"/>
+      <nuclide name="B10" wo="3.70915e-06"/>
+      <nuclide name="B11" wo="1.68974e-05"/>
+      <nuclide name="Fe54" wo="0.03855611055"/>
+      <nuclide name="Fe56" wo="0.627585036425"/>
+      <nuclide name="Fe57" wo="0.014750478"/>
+      <nuclide name="Fe58" wo="0.002000875025"/>
+      <nuclide name="Ni58" wo="0.059855207342"/>
+      <nuclide name="Mn55" wo="0.019794"/>
+      <nuclide name="Cr52" wo="0.157390026871"/>
+      <sab name="c_H_in_H2O"/>
     </material>
     <material id="9" name="Bottom nozzle region">
-      <density units="g/cm3" value="2.53" />
-      <nuclide name="H1" wo="0.0245014" />
-      <nuclide name="O16" wo="0.1944274" />
-      <nuclide name="B10" wo="7.89917e-05" />
-      <nuclide name="B11" wo="0.000359854" />
-      <nuclide name="Fe54" wo="0.030411411144" />
-      <nuclide name="Fe56" wo="0.495012237964" />
-      <nuclide name="Fe57" wo="0.01163454624" />
-      <nuclide name="Fe58" wo="0.001578204652" />
-      <nuclide name="Ni58" wo="0.047211231662" />
-      <nuclide name="Mn55" wo="0.0156126" />
-      <nuclide name="Cr52" wo="0.124142524198" />
-      <sab name="c_H_in_H2O" />
+      <density units="g/cm3" value="2.53"/>
+      <nuclide name="H1" wo="0.0245014"/>
+      <nuclide name="O16" wo="0.1944274"/>
+      <nuclide name="B10" wo="7.89917e-05"/>
+      <nuclide name="B11" wo="0.000359854"/>
+      <nuclide name="Fe54" wo="0.030411411144"/>
+      <nuclide name="Fe56" wo="0.495012237964"/>
+      <nuclide name="Fe57" wo="0.01163454624"/>
+      <nuclide name="Fe58" wo="0.001578204652"/>
+      <nuclide name="Ni58" wo="0.047211231662"/>
+      <nuclide name="Mn55" wo="0.0156126"/>
+      <nuclide name="Cr52" wo="0.124142524198"/>
+      <sab name="c_H_in_H2O"/>
     </material>
     <material id="10" name="Top nozzle region">
-      <density units="g/cm3" value="1.746" />
-      <nuclide name="H1" wo="0.035887" />
-      <nuclide name="O16" wo="0.2847761" />
-      <nuclide name="B10" wo="0.000115699" />
-      <nuclide name="B11" wo="0.000527075" />
-      <nuclide name="Fe54" wo="0.02644016154" />
-      <nuclide name="Fe56" wo="0.43037146399" />
-      <nuclide name="Fe57" wo="0.0101152584" />
-      <nuclide name="Fe58" wo="0.00137211607" />
-      <nuclide name="Ni58" wo="0.04104621835" />
-      <nuclide name="Mn55" wo="0.0135739" />
-      <nuclide name="Cr52" wo="0.107931450781" />
-      <sab name="c_H_in_H2O" />
+      <density units="g/cm3" value="1.746"/>
+      <nuclide name="H1" wo="0.035887"/>
+      <nuclide name="O16" wo="0.2847761"/>
+      <nuclide name="B10" wo="0.000115699"/>
+      <nuclide name="B11" wo="0.000527075"/>
+      <nuclide name="Fe54" wo="0.02644016154"/>
+      <nuclide name="Fe56" wo="0.43037146399"/>
+      <nuclide name="Fe57" wo="0.0101152584"/>
+      <nuclide name="Fe58" wo="0.00137211607"/>
+      <nuclide name="Ni58" wo="0.04104621835"/>
+      <nuclide name="Mn55" wo="0.0135739"/>
+      <nuclide name="Cr52" wo="0.107931450781"/>
+      <sab name="c_H_in_H2O"/>
     </material>
     <material id="11" name="Top of fuel assemblies">
-      <density units="g/cm3" value="3.044" />
-      <nuclide name="H1" wo="0.0162913" />
-      <nuclide name="O16" wo="0.1292776" />
-      <nuclide name="B10" wo="5.25228e-05" />
-      <nuclide name="B11" wo="0.000239272" />
-      <nuclide name="Zr90" wo="0.43313403903" />
-      <nuclide name="Zr91" wo="0.09549277374" />
-      <nuclide name="Zr92" wo="0.14759527104" />
-      <nuclide name="Zr94" wo="0.15280552077" />
-      <nuclide name="Zr96" wo="0.02511169542" />
-      <sab name="c_H_in_H2O" />
+      <density units="g/cm3" value="3.044"/>
+      <nuclide name="H1" wo="0.0162913"/>
+      <nuclide name="O16" wo="0.1292776"/>
+      <nuclide name="B10" wo="5.25228e-05"/>
+      <nuclide name="B11" wo="0.000239272"/>
+      <nuclide name="Zr90" wo="0.43313403903"/>
+      <nuclide name="Zr91" wo="0.09549277374"/>
+      <nuclide name="Zr92" wo="0.14759527104"/>
+      <nuclide name="Zr94" wo="0.15280552077"/>
+      <nuclide name="Zr96" wo="0.02511169542"/>
+      <sab name="c_H_in_H2O"/>
     </material>
     <material id="12" name="Bottom of fuel assemblies">
-      <density units="g/cm3" value="1.762" />
-      <nuclide name="H1" wo="0.0292856" />
-      <nuclide name="O16" wo="0.2323919" />
-      <nuclide name="B10" wo="9.44159e-05" />
-      <nuclide name="B11" wo="0.00043012" />
-      <nuclide name="Zr90" wo="0.3741373658" />
-      <nuclide name="Zr91" wo="0.0824858164" />
-      <nuclide name="Zr92" wo="0.1274914944" />
-      <nuclide name="Zr94" wo="0.1319920622" />
-      <nuclide name="Zr96" wo="0.0216912612" />
-      <sab name="c_H_in_H2O" />
+      <density units="g/cm3" value="1.762"/>
+      <nuclide name="H1" wo="0.0292856"/>
+      <nuclide name="O16" wo="0.2323919"/>
+      <nuclide name="B10" wo="9.44159e-05"/>
+      <nuclide name="B11" wo="0.00043012"/>
+      <nuclide name="Zr90" wo="0.3741373658"/>
+      <nuclide name="Zr91" wo="0.0824858164"/>
+      <nuclide name="Zr92" wo="0.1274914944"/>
+      <nuclide name="Zr94" wo="0.1319920622"/>
+      <nuclide name="Zr96" wo="0.0216912612"/>
+      <sab name="c_H_in_H2O"/>
     </material>
   </materials>
   <geometry>
-    <cell fill="200" id="1" region="-6 34 -35" universe="0" />
-    <cell fill="201" id="2" region="-6 35 -36" universe="0" />
-    <cell id="3" material="8" region="-7 31 -32" universe="0" />
-    <cell id="4" material="9" region="-5 32 -33" universe="0" />
-    <cell id="5" material="12" region="-5 33 -34" universe="0" />
-    <cell id="6" material="11" region="-5 36 -37" universe="0" />
-    <cell id="7" material="10" region="-5 37 -38" universe="0" />
-    <cell id="8" material="7" region="-7 38 -39" universe="0" />
-    <cell id="9" material="9" region="6 -7 32 -38" universe="0" />
-    <cell id="10" material="5" region="7 -8 31 -39" universe="0" />
-    <cell id="11" material="6" region="5 -6 32 -34" universe="0" />
-    <cell id="12" material="7" region="5 -6 36 -38" universe="0" />
-    <cell id="21" material="1" region="-1" universe="1" />
-    <cell id="22" material="2" region="1 -2" universe="1" />
-    <cell id="23" material="3" region="2" universe="1" />
-    <cell id="24" material="3" region="-3" universe="2" />
-    <cell id="25" material="2" region="3 -4" universe="2" />
-    <cell id="26" material="3" region="4" universe="2" />
-    <cell id="27" material="1" region="-1" universe="3" />
-    <cell id="28" material="2" region="1 -2" universe="3" />
-    <cell id="29" material="4" region="2" universe="3" />
-    <cell id="30" material="4" region="-3" universe="4" />
-    <cell id="31" material="2" region="3 -4" universe="4" />
-    <cell id="32" material="4" region="4" universe="4" />
-    <cell id="50" material="3" region="34 -35" universe="5" />
-    <cell fill="100" id="60" region="34 -35" universe="6" />
-    <cell id="70" material="4" region="35 -36" universe="7" />
-    <cell fill="101" id="80" region="35 -36" universe="8" />
+    <cell fill="200" id="1" region="-6 34 -35" universe="0"/>
+    <cell fill="201" id="2" region="-6 35 -36" universe="0"/>
+    <cell id="3" material="8" region="-7 31 -32" universe="0"/>
+    <cell id="4" material="9" region="-5 32 -33" universe="0"/>
+    <cell id="5" material="12" region="-5 33 -34" universe="0"/>
+    <cell id="6" material="11" region="-5 36 -37" universe="0"/>
+    <cell id="7" material="10" region="-5 37 -38" universe="0"/>
+    <cell id="8" material="7" region="-7 38 -39" universe="0"/>
+    <cell id="9" material="9" region="6 -7 32 -38" universe="0"/>
+    <cell id="10" material="5" region="7 -8 31 -39" universe="0"/>
+    <cell id="11" material="6" region="5 -6 32 -34" universe="0"/>
+    <cell id="12" material="7" region="5 -6 36 -38" universe="0"/>
+    <cell id="21" material="1" region="-1" universe="1"/>
+    <cell id="22" material="2" region="1 -2" universe="1"/>
+    <cell id="23" material="3" region="2" universe="1"/>
+    <cell id="24" material="3" region="-3" universe="2"/>
+    <cell id="25" material="2" region="3 -4" universe="2"/>
+    <cell id="26" material="3" region="4" universe="2"/>
+    <cell id="27" material="1" region="-1" universe="3"/>
+    <cell id="28" material="2" region="1 -2" universe="3"/>
+    <cell id="29" material="4" region="2" universe="3"/>
+    <cell id="30" material="4" region="-3" universe="4"/>
+    <cell id="31" material="2" region="3 -4" universe="4"/>
+    <cell id="32" material="4" region="4" universe="4"/>
+    <cell id="50" material="3" region="34 -35" universe="5"/>
+    <cell fill="100" id="60" region="34 -35" universe="6"/>
+    <cell id="70" material="4" region="35 -36" universe="7"/>
+    <cell fill="101" id="80" region="35 -36" universe="8"/>
     <lattice id="100" name="Fuel assembly (lower half)">
       <pitch>1.26 1.26</pitch>
       <dimension>17 17</dimension>
@@ -277,23 +277,23 @@
 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 
 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 </universes>
     </lattice>
-    <surface coeffs="0.0 0.0 0.41" id="1" type="z-cylinder" />
-    <surface coeffs="0.0 0.0 0.475" id="2" type="z-cylinder" />
-    <surface coeffs="0.0 0.0 0.56" id="3" type="z-cylinder" />
-    <surface coeffs="0.0 0.0 0.62" id="4" type="z-cylinder" />
-    <surface coeffs="0.0 0.0 187.6" id="5" type="z-cylinder" />
-    <surface coeffs="0.0 0.0 209.0" id="6" type="z-cylinder" />
-    <surface coeffs="0.0 0.0 229.0" id="7" type="z-cylinder" />
-    <surface boundary="vacuum" coeffs="0.0 0.0 249.0" id="8" type="z-cylinder" />
-    <surface boundary="vacuum" coeffs="-229.0" id="31" type="z-plane" />
-    <surface coeffs="-199.0" id="32" type="z-plane" />
-    <surface coeffs="-193.0" id="33" type="z-plane" />
-    <surface coeffs="-183.0" id="34" type="z-plane" />
-    <surface coeffs="0.0" id="35" type="z-plane" />
-    <surface coeffs="183.0" id="36" type="z-plane" />
-    <surface coeffs="203.0" id="37" type="z-plane" />
-    <surface coeffs="215.0" id="38" type="z-plane" />
-    <surface boundary="vacuum" coeffs="223.0" id="39" type="z-plane" />
+    <surface coeffs="0.0 0.0 0.41" id="1" type="z-cylinder"/>
+    <surface coeffs="0.0 0.0 0.475" id="2" type="z-cylinder"/>
+    <surface coeffs="0.0 0.0 0.56" id="3" type="z-cylinder"/>
+    <surface coeffs="0.0 0.0 0.62" id="4" type="z-cylinder"/>
+    <surface coeffs="0.0 0.0 187.6" id="5" type="z-cylinder"/>
+    <surface coeffs="0.0 0.0 209.0" id="6" type="z-cylinder"/>
+    <surface coeffs="0.0 0.0 229.0" id="7" type="z-cylinder"/>
+    <surface boundary="vacuum" coeffs="0.0 0.0 249.0" id="8" type="z-cylinder"/>
+    <surface boundary="vacuum" coeffs="-229.0" id="31" type="z-plane"/>
+    <surface coeffs="-199.0" id="32" type="z-plane"/>
+    <surface coeffs="-193.0" id="33" type="z-plane"/>
+    <surface coeffs="-183.0" id="34" type="z-plane"/>
+    <surface coeffs="0.0" id="35" type="z-plane"/>
+    <surface coeffs="183.0" id="36" type="z-plane"/>
+    <surface coeffs="203.0" id="37" type="z-plane"/>
+    <surface coeffs="215.0" id="38" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="223.0" id="39" type="z-plane"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
@@ -429,10 +429,10 @@
       <scores>nu-fission scatter</scores>
       <derivative>5</derivative>
     </tally>
-    <derivative id="1" material="3" variable="density" />
-    <derivative id="2" material="1" variable="density" />
-    <derivative id="3" material="1" nuclide="O16" variable="nuclide_density" />
-    <derivative id="4" material="1" nuclide="U235" variable="nuclide_density" />
-    <derivative id="5" material="1" variable="temperature" />
+    <derivative id="1" material="3" variable="density"/>
+    <derivative id="2" material="1" variable="density"/>
+    <derivative id="3" material="1" nuclide="O16" variable="nuclide_density"/>
+    <derivative id="4" material="1" nuclide="U235" variable="nuclide_density"/>
+    <derivative id="5" material="1" variable="temperature"/>
   </tallies>
 </model>
diff --git a/tests/regression_tests/distribmat/inputs_true.dat b/tests/regression_tests/distribmat/inputs_true.dat
index adc9bf3fb..d002f0beb 100644
--- a/tests/regression_tests/distribmat/inputs_true.dat
+++ b/tests/regression_tests/distribmat/inputs_true.dat
@@ -2,24 +2,24 @@
 <model>
   <materials>
     <material id="1">
-      <density units="g/cc" value="1.0" />
-      <nuclide ao="2.0" name="H1" />
-      <nuclide ao="1.0" name="O16" />
+      <density units="g/cc" value="1.0"/>
+      <nuclide ao="2.0" name="H1"/>
+      <nuclide ao="1.0" name="O16"/>
     </material>
     <material depletable="true" id="2">
-      <density units="g/cc" value="4.5" />
-      <nuclide ao="1.0" name="U235" />
+      <density units="g/cc" value="4.5"/>
+      <nuclide ao="1.0" name="U235"/>
     </material>
     <material depletable="true" id="3">
-      <density units="g/cc" value="2.0" />
-      <nuclide ao="1.0" name="U235" />
+      <density units="g/cc" value="2.0"/>
+      <nuclide ao="1.0" name="U235"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" universe="1" />
-    <cell id="11" material="2 void 3 2" region="-1" universe="11" />
-    <cell id="12" material="1" region="1" universe="11" />
-    <cell fill="101" id="101" region="2 -3 4 -5" universe="0" />
+    <cell id="1" material="1" universe="1"/>
+    <cell id="11" material="2 void 3 2" region="-1" universe="11"/>
+    <cell id="12" material="1" region="1" universe="11"/>
+    <cell fill="101" id="101" region="2 -3 4 -5" universe="0"/>
     <lattice id="101">
       <pitch>2.0 2.0</pitch>
       <outer>1</outer>
@@ -29,11 +29,11 @@
 11 11 
 11 11 </universes>
     </lattice>
-    <surface coeffs="0.0 0.0 0.3" id="1" type="z-cylinder" />
-    <surface boundary="reflective" coeffs="-3.0" id="2" type="x-plane" />
-    <surface boundary="reflective" coeffs="3.0" id="3" type="x-plane" />
-    <surface boundary="reflective" coeffs="-3.0" id="4" type="y-plane" />
-    <surface boundary="reflective" coeffs="3.0" id="5" type="y-plane" />
+    <surface coeffs="0.0 0.0 0.3" id="1" type="z-cylinder"/>
+    <surface boundary="reflective" coeffs="-3.0" id="2" type="x-plane"/>
+    <surface boundary="reflective" coeffs="3.0" id="3" type="x-plane"/>
+    <surface boundary="reflective" coeffs="-3.0" id="4" type="y-plane"/>
+    <surface boundary="reflective" coeffs="3.0" id="5" type="y-plane"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
diff --git a/tests/regression_tests/eigenvalue_genperbatch/inputs_true.dat b/tests/regression_tests/eigenvalue_genperbatch/inputs_true.dat
index 225b23ffa..690cd14e3 100644
--- a/tests/regression_tests/eigenvalue_genperbatch/inputs_true.dat
+++ b/tests/regression_tests/eigenvalue_genperbatch/inputs_true.dat
@@ -2,13 +2,13 @@
 <model>
   <materials>
     <material depletable="true" id="1">
-      <density units="g/cm3" value="4.5" />
-      <nuclide ao="1.0" name="U235" />
+      <density units="g/cm3" value="4.5"/>
+      <nuclide ao="1.0" name="U235"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" region="-1" universe="1" />
-    <surface boundary="vacuum" coeffs="0.0 0.0 0.0 10.0" id="1" type="sphere" />
+    <cell id="1" material="1" region="-1" universe="1"/>
+    <surface boundary="vacuum" coeffs="0.0 0.0 0.0 10.0" id="1" type="sphere"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
diff --git a/tests/regression_tests/energy_cutoff/inputs_true.dat b/tests/regression_tests/energy_cutoff/inputs_true.dat
index e874a0c7a..c24164dd8 100644
--- a/tests/regression_tests/energy_cutoff/inputs_true.dat
+++ b/tests/regression_tests/energy_cutoff/inputs_true.dat
@@ -2,18 +2,18 @@
 <model>
   <materials>
     <material id="1" name="mat">
-      <density units="atom/b-cm" value="0.069335" />
-      <nuclide ao="40.0" name="H1" />
+      <density units="atom/b-cm" value="0.069335"/>
+      <nuclide ao="40.0" name="H1"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="box" region="1 -2 3 -4 5 -6" universe="0" />
-    <surface boundary="reflective" coeffs="-1" id="1" type="x-plane" />
-    <surface boundary="reflective" coeffs="1" id="2" type="x-plane" />
-    <surface boundary="reflective" coeffs="-1" id="3" type="y-plane" />
-    <surface boundary="reflective" coeffs="1" id="4" type="y-plane" />
-    <surface boundary="reflective" coeffs="-1" id="5" type="z-plane" />
-    <surface boundary="reflective" coeffs="1" id="6" type="z-plane" />
+    <cell id="1" material="1" name="box" region="1 -2 3 -4 5 -6" universe="0"/>
+    <surface boundary="reflective" coeffs="-1" id="1" type="x-plane"/>
+    <surface boundary="reflective" coeffs="1" id="2" type="x-plane"/>
+    <surface boundary="reflective" coeffs="-1" id="3" type="y-plane"/>
+    <surface boundary="reflective" coeffs="1" id="4" type="y-plane"/>
+    <surface boundary="reflective" coeffs="-1" id="5" type="z-plane"/>
+    <surface boundary="reflective" coeffs="1" id="6" type="z-plane"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
@@ -23,7 +23,7 @@
       <space type="box">
         <parameters>-1 -1 -1 1 1 1</parameters>
       </space>
-      <energy parameters="988000.0 2.249e-06" type="watt" />
+      <energy parameters="988000.0 2.249e-06" type="watt"/>
     </source>
     <cutoff>
       <energy_neutron>4.0</energy_neutron>
diff --git a/tests/regression_tests/energy_laws/inputs_true.dat b/tests/regression_tests/energy_laws/inputs_true.dat
index c89ccc97e..4d8e825d1 100644
--- a/tests/regression_tests/energy_laws/inputs_true.dat
+++ b/tests/regression_tests/energy_laws/inputs_true.dat
@@ -2,17 +2,17 @@
 <model>
   <materials>
     <material depletable="true" id="1">
-      <density units="g/cm3" value="20.0" />
-      <nuclide ao="1.0" name="U233" />
-      <nuclide ao="1.0" name="Am244" />
-      <nuclide ao="1.0" name="H2" />
-      <nuclide ao="1.0" name="Na23" />
-      <nuclide ao="1.0" name="Ta181" />
+      <density units="g/cm3" value="20.0"/>
+      <nuclide ao="1.0" name="U233"/>
+      <nuclide ao="1.0" name="Am244"/>
+      <nuclide ao="1.0" name="H2"/>
+      <nuclide ao="1.0" name="Na23"/>
+      <nuclide ao="1.0" name="Ta181"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" region="-1" universe="1" />
-    <surface boundary="reflective" coeffs="0.0 0.0 0.0 100.0" id="1" type="sphere" />
+    <cell id="1" material="1" region="-1" universe="1"/>
+    <surface boundary="reflective" coeffs="0.0 0.0 0.0 100.0" id="1" type="sphere"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
diff --git a/tests/regression_tests/external_moab/inputs_true.dat b/tests/regression_tests/external_moab/inputs_true.dat
index 2bcbad0df..d54f5db0e 100644
--- a/tests/regression_tests/external_moab/inputs_true.dat
+++ b/tests/regression_tests/external_moab/inputs_true.dat
@@ -2,45 +2,45 @@
 <model>
   <materials>
     <material depletable="true" id="1" name="fuel">
-      <density units="g/cc" value="4.5" />
-      <nuclide ao="1.0" name="U235" />
+      <density units="g/cc" value="4.5"/>
+      <nuclide ao="1.0" name="U235"/>
     </material>
     <material id="2" name="zircaloy">
-      <density units="g/cc" value="5.77" />
-      <nuclide ao="0.5145" name="Zr90" />
-      <nuclide ao="0.1122" name="Zr91" />
-      <nuclide ao="0.1715" name="Zr92" />
-      <nuclide ao="0.1738" name="Zr94" />
-      <nuclide ao="0.028" name="Zr96" />
+      <density units="g/cc" value="5.77"/>
+      <nuclide ao="0.5145" name="Zr90"/>
+      <nuclide ao="0.1122" name="Zr91"/>
+      <nuclide ao="0.1715" name="Zr92"/>
+      <nuclide ao="0.1738" name="Zr94"/>
+      <nuclide ao="0.028" name="Zr96"/>
     </material>
     <material id="3" name="water">
-      <density units="atom/b-cm" value="0.07416" />
-      <nuclide ao="2.0" name="H1" />
-      <nuclide ao="1.0" name="O16" />
+      <density units="atom/b-cm" value="0.07416"/>
+      <nuclide ao="2.0" name="H1"/>
+      <nuclide ao="1.0" name="O16"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="fuel" region="1 -2 3 -4 5 -6" universe="1" />
-    <cell id="2" material="2" name="clad" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1" />
-    <cell id="3" material="3" name="water" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1" />
-    <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane" />
-    <surface coeffs="5.0" id="2" name="maximum x" type="x-plane" />
-    <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane" />
-    <surface coeffs="5.0" id="4" name="maximum y" type="y-plane" />
-    <surface coeffs="-5.0" id="5" name="minimum z" type="z-plane" />
-    <surface coeffs="5.0" id="6" name="maximum z" type="z-plane" />
-    <surface coeffs="-6.0" id="7" name="minimum x" type="x-plane" />
-    <surface coeffs="6.0" id="8" name="maximum x" type="x-plane" />
-    <surface coeffs="-6.0" id="9" name="minimum y" type="y-plane" />
-    <surface coeffs="6.0" id="10" name="maximum y" type="y-plane" />
-    <surface coeffs="-6.0" id="11" name="minimum z" type="z-plane" />
-    <surface coeffs="6.0" id="12" name="maximum z" type="z-plane" />
-    <surface boundary="vacuum" coeffs="-10" id="13" name="minimum x" type="x-plane" />
-    <surface boundary="vacuum" coeffs="10" id="14" name="maximum x" type="x-plane" />
-    <surface boundary="vacuum" coeffs="-10" id="15" name="minimum y" type="y-plane" />
-    <surface boundary="vacuum" coeffs="10" id="16" name="maximum y" type="y-plane" />
-    <surface boundary="vacuum" coeffs="-10" id="17" name="minimum z" type="z-plane" />
-    <surface boundary="vacuum" coeffs="10" id="18" name="maximum z" type="z-plane" />
+    <cell id="1" material="1" name="fuel" region="1 -2 3 -4 5 -6" universe="1"/>
+    <cell id="2" material="2" name="clad" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1"/>
+    <cell id="3" material="3" name="water" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1"/>
+    <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane"/>
+    <surface coeffs="5.0" id="2" name="maximum x" type="x-plane"/>
+    <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane"/>
+    <surface coeffs="5.0" id="4" name="maximum y" type="y-plane"/>
+    <surface coeffs="-5.0" id="5" name="minimum z" type="z-plane"/>
+    <surface coeffs="5.0" id="6" name="maximum z" type="z-plane"/>
+    <surface coeffs="-6.0" id="7" name="minimum x" type="x-plane"/>
+    <surface coeffs="6.0" id="8" name="maximum x" type="x-plane"/>
+    <surface coeffs="-6.0" id="9" name="minimum y" type="y-plane"/>
+    <surface coeffs="6.0" id="10" name="maximum y" type="y-plane"/>
+    <surface coeffs="-6.0" id="11" name="minimum z" type="z-plane"/>
+    <surface coeffs="6.0" id="12" name="maximum z" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="-10" id="13" name="minimum x" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="10" id="14" name="maximum x" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="-10" id="15" name="minimum y" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="10" id="16" name="maximum y" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="-10" id="17" name="minimum z" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="10" id="18" name="maximum z" type="z-plane"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
@@ -50,7 +50,7 @@
       <space type="point">
         <parameters>0.0 0.0 0.0</parameters>
       </space>
-      <angle reference_uvw="-1.0 0.0 0.0" type="monodirectional" />
+      <angle reference_uvw="-1.0 0.0 0.0" type="monodirectional"/>
       <energy type="discrete">
         <parameters>15000000.0 1.0</parameters>
       </energy>
diff --git a/tests/regression_tests/filter_cellinstance/inputs_true.dat b/tests/regression_tests/filter_cellinstance/inputs_true.dat
index d00aae75d..d3e0937ec 100644
--- a/tests/regression_tests/filter_cellinstance/inputs_true.dat
+++ b/tests/regression_tests/filter_cellinstance/inputs_true.dat
@@ -2,21 +2,21 @@
 <model>
   <materials>
     <material depletable="true" id="1">
-      <density units="g/cc" value="4.5" />
-      <nuclide ao="1.0" name="U235" />
+      <density units="g/cc" value="4.5"/>
+      <nuclide ao="1.0" name="U235"/>
     </material>
     <material id="2">
-      <density units="g/cc" value="1.0" />
-      <nuclide ao="1.0" name="H1" />
+      <density units="g/cc" value="1.0"/>
+      <nuclide ao="1.0" name="H1"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" region="-1" universe="2" />
-    <cell id="2" material="2" region="1" universe="1" />
-    <cell fill="1" id="3" universe="2" />
-    <cell id="4" material="1" region="-2" universe="3" />
-    <cell id="5" material="2" region="2" universe="3" />
-    <cell fill="4" id="6" region="3 -4 5 -6" universe="5" />
+    <cell id="1" material="1" region="-1" universe="2"/>
+    <cell id="2" material="2" region="1" universe="1"/>
+    <cell fill="1" id="3" universe="2"/>
+    <cell id="4" material="1" region="-2" universe="3"/>
+    <cell id="5" material="2" region="2" universe="3"/>
+    <cell fill="4" id="6" region="3 -4 5 -6" universe="5"/>
     <lattice id="4">
       <pitch>2 2</pitch>
       <dimension>4 4</dimension>
@@ -27,12 +27,12 @@
 3 3 2 3 
 3 3 3 2 </universes>
     </lattice>
-    <surface coeffs="0.0 0.0 0.7" id="1" type="z-cylinder" />
-    <surface coeffs="0.0 0.0 0.5" id="2" type="z-cylinder" />
-    <surface boundary="reflective" coeffs="-4.0" id="3" name="minimum x" type="x-plane" />
-    <surface boundary="reflective" coeffs="4.0" id="4" name="maximum x" type="x-plane" />
-    <surface boundary="reflective" coeffs="-4.0" id="5" name="minimum y" type="y-plane" />
-    <surface boundary="reflective" coeffs="4.0" id="6" name="maximum y" type="y-plane" />
+    <surface coeffs="0.0 0.0 0.7" id="1" type="z-cylinder"/>
+    <surface coeffs="0.0 0.0 0.5" id="2" type="z-cylinder"/>
+    <surface boundary="reflective" coeffs="-4.0" id="3" name="minimum x" type="x-plane"/>
+    <surface boundary="reflective" coeffs="4.0" id="4" name="maximum x" type="x-plane"/>
+    <surface boundary="reflective" coeffs="-4.0" id="5" name="minimum y" type="y-plane"/>
+    <surface boundary="reflective" coeffs="4.0" id="6" name="maximum y" type="y-plane"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
diff --git a/tests/regression_tests/filter_energyfun/inputs_true.dat b/tests/regression_tests/filter_energyfun/inputs_true.dat
index 706c70e34..4b7b74d28 100644
--- a/tests/regression_tests/filter_energyfun/inputs_true.dat
+++ b/tests/regression_tests/filter_energyfun/inputs_true.dat
@@ -2,13 +2,13 @@
 <model>
   <materials>
     <material depletable="true" id="1">
-      <density units="g/cm3" value="10.0" />
-      <nuclide ao="1.0" name="Am241" />
+      <density units="g/cm3" value="10.0"/>
+      <nuclide ao="1.0" name="Am241"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" region="-1" universe="1" />
-    <surface boundary="vacuum" coeffs="0.0 0.0 0.0 100.0" id="1" type="sphere" />
+    <cell id="1" material="1" region="-1" universe="1"/>
+    <surface boundary="vacuum" coeffs="0.0 0.0 0.0 100.0" id="1" type="sphere"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
diff --git a/tests/regression_tests/filter_mesh/inputs_true.dat b/tests/regression_tests/filter_mesh/inputs_true.dat
index d0b617903..a58d58bab 100644
--- a/tests/regression_tests/filter_mesh/inputs_true.dat
+++ b/tests/regression_tests/filter_mesh/inputs_true.dat
@@ -2,27 +2,27 @@
 <model>
   <materials>
     <material depletable="true" id="1">
-      <density units="g/cm3" value="10.0" />
-      <nuclide ao="1.0" name="U235" />
+      <density units="g/cm3" value="10.0"/>
+      <nuclide ao="1.0" name="U235"/>
     </material>
     <material id="2">
-      <density units="g/cm3" value="1.0" />
-      <nuclide ao="1.0" name="Zr90" />
+      <density units="g/cm3" value="1.0"/>
+      <nuclide ao="1.0" name="Zr90"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" region="1 -2 3 -4 10 -9" universe="1" />
-    <cell id="2" material="2" region="~(1 -2 3 -4) (5 -6 7 -8) 10 -9" universe="1" />
-    <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane" />
-    <surface coeffs="5.0" id="2" name="maximum x" type="x-plane" />
-    <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane" />
-    <surface coeffs="5.0" id="4" name="maximum y" type="y-plane" />
-    <surface boundary="reflective" coeffs="-10.0" id="5" name="minimum x" type="x-plane" />
-    <surface boundary="reflective" coeffs="10.0" id="6" name="maximum x" type="x-plane" />
-    <surface boundary="reflective" coeffs="-10.0" id="7" name="minimum y" type="y-plane" />
-    <surface boundary="reflective" coeffs="10.0" id="8" name="maximum y" type="y-plane" />
-    <surface boundary="vacuum" coeffs="10.0" id="9" type="z-plane" />
-    <surface boundary="vacuum" coeffs="-10.0" id="10" type="z-plane" />
+    <cell id="1" material="1" region="1 -2 3 -4 10 -9" universe="1"/>
+    <cell id="2" material="2" region="~(1 -2 3 -4) (5 -6 7 -8) 10 -9" universe="1"/>
+    <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane"/>
+    <surface coeffs="5.0" id="2" name="maximum x" type="x-plane"/>
+    <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane"/>
+    <surface coeffs="5.0" id="4" name="maximum y" type="y-plane"/>
+    <surface boundary="reflective" coeffs="-10.0" id="5" name="minimum x" type="x-plane"/>
+    <surface boundary="reflective" coeffs="10.0" id="6" name="maximum x" type="x-plane"/>
+    <surface boundary="reflective" coeffs="-10.0" id="7" name="minimum y" type="y-plane"/>
+    <surface boundary="reflective" coeffs="10.0" id="8" name="maximum y" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="10.0" id="9" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="-10.0" id="10" type="z-plane"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
diff --git a/tests/regression_tests/filter_translations/inputs_true.dat b/tests/regression_tests/filter_translations/inputs_true.dat
index 8ed705413..a80ccd876 100644
--- a/tests/regression_tests/filter_translations/inputs_true.dat
+++ b/tests/regression_tests/filter_translations/inputs_true.dat
@@ -2,27 +2,27 @@
 <model>
   <materials>
     <material depletable="true" id="1">
-      <density units="g/cm3" value="10.0" />
-      <nuclide ao="1.0" name="U235" />
+      <density units="g/cm3" value="10.0"/>
+      <nuclide ao="1.0" name="U235"/>
     </material>
     <material id="2">
-      <density units="g/cm3" value="1.0" />
-      <nuclide ao="1.0" name="Zr90" />
+      <density units="g/cm3" value="1.0"/>
+      <nuclide ao="1.0" name="Zr90"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" region="1 -2 3 -4 10 -9" universe="1" />
-    <cell id="2" material="2" region="~(1 -2 3 -4) (5 -6 7 -8) 10 -9" universe="1" />
-    <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane" />
-    <surface coeffs="5.0" id="2" name="maximum x" type="x-plane" />
-    <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane" />
-    <surface coeffs="5.0" id="4" name="maximum y" type="y-plane" />
-    <surface boundary="reflective" coeffs="-10.0" id="5" name="minimum x" type="x-plane" />
-    <surface boundary="reflective" coeffs="10.0" id="6" name="maximum x" type="x-plane" />
-    <surface boundary="reflective" coeffs="-10.0" id="7" name="minimum y" type="y-plane" />
-    <surface boundary="reflective" coeffs="10.0" id="8" name="maximum y" type="y-plane" />
-    <surface boundary="vacuum" coeffs="10.0" id="9" type="z-plane" />
-    <surface boundary="vacuum" coeffs="-10.0" id="10" type="z-plane" />
+    <cell id="1" material="1" region="1 -2 3 -4 10 -9" universe="1"/>
+    <cell id="2" material="2" region="~(1 -2 3 -4) (5 -6 7 -8) 10 -9" universe="1"/>
+    <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane"/>
+    <surface coeffs="5.0" id="2" name="maximum x" type="x-plane"/>
+    <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane"/>
+    <surface coeffs="5.0" id="4" name="maximum y" type="y-plane"/>
+    <surface boundary="reflective" coeffs="-10.0" id="5" name="minimum x" type="x-plane"/>
+    <surface boundary="reflective" coeffs="10.0" id="6" name="maximum x" type="x-plane"/>
+    <surface boundary="reflective" coeffs="-10.0" id="7" name="minimum y" type="y-plane"/>
+    <surface boundary="reflective" coeffs="10.0" id="8" name="maximum y" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="10.0" id="9" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="-10.0" id="10" type="z-plane"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
diff --git a/tests/regression_tests/fixed_source/inputs_true.dat b/tests/regression_tests/fixed_source/inputs_true.dat
index 57dcdb724..60043f20c 100644
--- a/tests/regression_tests/fixed_source/inputs_true.dat
+++ b/tests/regression_tests/fixed_source/inputs_true.dat
@@ -2,14 +2,14 @@
 <model>
   <materials>
     <material depletable="true" id="1">
-      <density units="g/cc" value="7.5" />
-      <nuclide ao="1.0" name="O16" />
-      <nuclide ao="0.0001" name="U238" />
+      <density units="g/cc" value="7.5"/>
+      <nuclide ao="1.0" name="O16"/>
+      <nuclide ao="0.0001" name="U238"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" region="-1" universe="1" />
-    <surface boundary="vacuum" coeffs="0.0 0.0 0.0 10.0" id="1" type="sphere" />
+    <cell id="1" material="1" region="-1" universe="1"/>
+    <surface boundary="vacuum" coeffs="0.0 0.0 0.0 10.0" id="1" type="sphere"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
diff --git a/tests/regression_tests/iso_in_lab/inputs_true.dat b/tests/regression_tests/iso_in_lab/inputs_true.dat
index 6dd8578ff..2bb81da6d 100644
--- a/tests/regression_tests/iso_in_lab/inputs_true.dat
+++ b/tests/regression_tests/iso_in_lab/inputs_true.dat
@@ -2,193 +2,193 @@
 <model>
   <materials>
     <material depletable="true" id="1" name="UOX fuel">
-      <density units="g/cm3" value="10.062" />
-      <nuclide ao="4.9476e-06" name="U234" />
-      <nuclide ao="0.00048218" name="U235" />
-      <nuclide ao="0.021504" name="U238" />
-      <nuclide ao="1.0801e-08" name="Xe135" />
-      <nuclide ao="0.045737" name="O16" />
+      <density units="g/cm3" value="10.062"/>
+      <nuclide ao="4.9476e-06" name="U234"/>
+      <nuclide ao="0.00048218" name="U235"/>
+      <nuclide ao="0.021504" name="U238"/>
+      <nuclide ao="1.0801e-08" name="Xe135"/>
+      <nuclide ao="0.045737" name="O16"/>
       <isotropic>U234 U235 U238 Xe135 O16</isotropic>
     </material>
     <material id="2" name="Zircaloy">
-      <density units="g/cm3" value="5.77" />
-      <nuclide ao="0.5145" name="Zr90" />
-      <nuclide ao="0.1122" name="Zr91" />
-      <nuclide ao="0.1715" name="Zr92" />
-      <nuclide ao="0.1738" name="Zr94" />
-      <nuclide ao="0.028" name="Zr96" />
+      <density units="g/cm3" value="5.77"/>
+      <nuclide ao="0.5145" name="Zr90"/>
+      <nuclide ao="0.1122" name="Zr91"/>
+      <nuclide ao="0.1715" name="Zr92"/>
+      <nuclide ao="0.1738" name="Zr94"/>
+      <nuclide ao="0.028" name="Zr96"/>
       <isotropic>Zr90 Zr91 Zr92 Zr94 Zr96</isotropic>
     </material>
     <material id="3" name="Cold borated water">
-      <density units="atom/b-cm" value="0.07416" />
-      <nuclide ao="2.0" name="H1" />
-      <nuclide ao="1.0" name="O16" />
-      <nuclide ao="0.000649" name="B10" />
-      <nuclide ao="0.002689" name="B11" />
-      <sab name="c_H_in_H2O" />
+      <density units="atom/b-cm" value="0.07416"/>
+      <nuclide ao="2.0" name="H1"/>
+      <nuclide ao="1.0" name="O16"/>
+      <nuclide ao="0.000649" name="B10"/>
+      <nuclide ao="0.002689" name="B11"/>
+      <sab name="c_H_in_H2O"/>
       <isotropic>H1 O16 B10 B11</isotropic>
     </material>
     <material id="4" name="Hot borated water">
-      <density units="atom/b-cm" value="0.06614" />
-      <nuclide ao="2.0" name="H1" />
-      <nuclide ao="1.0" name="O16" />
-      <nuclide ao="0.000649" name="B10" />
-      <nuclide ao="0.002689" name="B11" />
-      <sab name="c_H_in_H2O" />
+      <density units="atom/b-cm" value="0.06614"/>
+      <nuclide ao="2.0" name="H1"/>
+      <nuclide ao="1.0" name="O16"/>
+      <nuclide ao="0.000649" name="B10"/>
+      <nuclide ao="0.002689" name="B11"/>
+      <sab name="c_H_in_H2O"/>
       <isotropic>H1 O16 B10 B11</isotropic>
     </material>
     <material id="5" name="Reactor pressure vessel steel">
-      <density units="g/cm3" value="7.9" />
-      <nuclide name="Fe54" wo="0.05437098" />
-      <nuclide name="Fe56" wo="0.88500663" />
-      <nuclide name="Fe57" wo="0.0208008" />
-      <nuclide name="Fe58" wo="0.00282159" />
-      <nuclide name="Ni58" wo="0.0067198" />
-      <nuclide name="Ni60" wo="0.0026776" />
-      <nuclide name="Mn55" wo="0.01" />
-      <nuclide name="Cr52" wo="0.002092475" />
-      <nuclide name="C0" wo="0.0025" />
-      <nuclide name="Cu63" wo="0.0013696" />
+      <density units="g/cm3" value="7.9"/>
+      <nuclide name="Fe54" wo="0.05437098"/>
+      <nuclide name="Fe56" wo="0.88500663"/>
+      <nuclide name="Fe57" wo="0.0208008"/>
+      <nuclide name="Fe58" wo="0.00282159"/>
+      <nuclide name="Ni58" wo="0.0067198"/>
+      <nuclide name="Ni60" wo="0.0026776"/>
+      <nuclide name="Mn55" wo="0.01"/>
+      <nuclide name="Cr52" wo="0.002092475"/>
+      <nuclide name="C0" wo="0.0025"/>
+      <nuclide name="Cu63" wo="0.0013696"/>
       <isotropic>Fe54 Fe56 Fe57 Fe58 Ni58 Ni60 Mn55 Cr52 C0 Cu63</isotropic>
     </material>
     <material id="6" name="Lower radial reflector">
-      <density units="g/cm3" value="4.32" />
-      <nuclide name="H1" wo="0.0095661" />
-      <nuclide name="O16" wo="0.0759107" />
-      <nuclide name="B10" wo="3.08409e-05" />
-      <nuclide name="B11" wo="0.000140499" />
-      <nuclide name="Fe54" wo="0.035620772088" />
-      <nuclide name="Fe56" wo="0.579805982228" />
-      <nuclide name="Fe57" wo="0.01362750048" />
-      <nuclide name="Fe58" wo="0.001848545204" />
-      <nuclide name="Ni58" wo="0.055298376566" />
-      <nuclide name="Mn55" wo="0.018287" />
-      <nuclide name="Cr52" wo="0.145407678031" />
-      <sab name="c_H_in_H2O" />
+      <density units="g/cm3" value="4.32"/>
+      <nuclide name="H1" wo="0.0095661"/>
+      <nuclide name="O16" wo="0.0759107"/>
+      <nuclide name="B10" wo="3.08409e-05"/>
+      <nuclide name="B11" wo="0.000140499"/>
+      <nuclide name="Fe54" wo="0.035620772088"/>
+      <nuclide name="Fe56" wo="0.579805982228"/>
+      <nuclide name="Fe57" wo="0.01362750048"/>
+      <nuclide name="Fe58" wo="0.001848545204"/>
+      <nuclide name="Ni58" wo="0.055298376566"/>
+      <nuclide name="Mn55" wo="0.018287"/>
+      <nuclide name="Cr52" wo="0.145407678031"/>
+      <sab name="c_H_in_H2O"/>
       <isotropic>H1 O16 B10 B11 Fe54 Fe56 Fe57 Fe58 Ni58 Mn55 Cr52</isotropic>
     </material>
     <material id="7" name="Upper radial reflector / Top plate region">
-      <density units="g/cm3" value="4.28" />
-      <nuclide name="H1" wo="0.0086117" />
-      <nuclide name="O16" wo="0.0683369" />
-      <nuclide name="B10" wo="2.77638e-05" />
-      <nuclide name="B11" wo="0.000126481" />
-      <nuclide name="Fe54" wo="0.035953677186" />
-      <nuclide name="Fe56" wo="0.585224740891" />
-      <nuclide name="Fe57" wo="0.01375486056" />
-      <nuclide name="Fe58" wo="0.001865821363" />
-      <nuclide name="Ni58" wo="0.055815129186" />
-      <nuclide name="Mn55" wo="0.0184579" />
-      <nuclide name="Cr52" wo="0.146766614995" />
-      <sab name="c_H_in_H2O" />
+      <density units="g/cm3" value="4.28"/>
+      <nuclide name="H1" wo="0.0086117"/>
+      <nuclide name="O16" wo="0.0683369"/>
+      <nuclide name="B10" wo="2.77638e-05"/>
+      <nuclide name="B11" wo="0.000126481"/>
+      <nuclide name="Fe54" wo="0.035953677186"/>
+      <nuclide name="Fe56" wo="0.585224740891"/>
+      <nuclide name="Fe57" wo="0.01375486056"/>
+      <nuclide name="Fe58" wo="0.001865821363"/>
+      <nuclide name="Ni58" wo="0.055815129186"/>
+      <nuclide name="Mn55" wo="0.0184579"/>
+      <nuclide name="Cr52" wo="0.146766614995"/>
+      <sab name="c_H_in_H2O"/>
       <isotropic>H1 O16 B10 B11 Fe54 Fe56 Fe57 Fe58 Ni58 Mn55 Cr52</isotropic>
     </material>
     <material id="8" name="Bottom plate region">
-      <density units="g/cm3" value="7.184" />
-      <nuclide name="H1" wo="0.0011505" />
-      <nuclide name="O16" wo="0.0091296" />
-      <nuclide name="B10" wo="3.70915e-06" />
-      <nuclide name="B11" wo="1.68974e-05" />
-      <nuclide name="Fe54" wo="0.03855611055" />
-      <nuclide name="Fe56" wo="0.627585036425" />
-      <nuclide name="Fe57" wo="0.014750478" />
-      <nuclide name="Fe58" wo="0.002000875025" />
-      <nuclide name="Ni58" wo="0.059855207342" />
-      <nuclide name="Mn55" wo="0.019794" />
-      <nuclide name="Cr52" wo="0.157390026871" />
-      <sab name="c_H_in_H2O" />
+      <density units="g/cm3" value="7.184"/>
+      <nuclide name="H1" wo="0.0011505"/>
+      <nuclide name="O16" wo="0.0091296"/>
+      <nuclide name="B10" wo="3.70915e-06"/>
+      <nuclide name="B11" wo="1.68974e-05"/>
+      <nuclide name="Fe54" wo="0.03855611055"/>
+      <nuclide name="Fe56" wo="0.627585036425"/>
+      <nuclide name="Fe57" wo="0.014750478"/>
+      <nuclide name="Fe58" wo="0.002000875025"/>
+      <nuclide name="Ni58" wo="0.059855207342"/>
+      <nuclide name="Mn55" wo="0.019794"/>
+      <nuclide name="Cr52" wo="0.157390026871"/>
+      <sab name="c_H_in_H2O"/>
       <isotropic>H1 O16 B10 B11 Fe54 Fe56 Fe57 Fe58 Ni58 Mn55 Cr52</isotropic>
     </material>
     <material id="9" name="Bottom nozzle region">
-      <density units="g/cm3" value="2.53" />
-      <nuclide name="H1" wo="0.0245014" />
-      <nuclide name="O16" wo="0.1944274" />
-      <nuclide name="B10" wo="7.89917e-05" />
-      <nuclide name="B11" wo="0.000359854" />
-      <nuclide name="Fe54" wo="0.030411411144" />
-      <nuclide name="Fe56" wo="0.495012237964" />
-      <nuclide name="Fe57" wo="0.01163454624" />
-      <nuclide name="Fe58" wo="0.001578204652" />
-      <nuclide name="Ni58" wo="0.047211231662" />
-      <nuclide name="Mn55" wo="0.0156126" />
-      <nuclide name="Cr52" wo="0.124142524198" />
-      <sab name="c_H_in_H2O" />
+      <density units="g/cm3" value="2.53"/>
+      <nuclide name="H1" wo="0.0245014"/>
+      <nuclide name="O16" wo="0.1944274"/>
+      <nuclide name="B10" wo="7.89917e-05"/>
+      <nuclide name="B11" wo="0.000359854"/>
+      <nuclide name="Fe54" wo="0.030411411144"/>
+      <nuclide name="Fe56" wo="0.495012237964"/>
+      <nuclide name="Fe57" wo="0.01163454624"/>
+      <nuclide name="Fe58" wo="0.001578204652"/>
+      <nuclide name="Ni58" wo="0.047211231662"/>
+      <nuclide name="Mn55" wo="0.0156126"/>
+      <nuclide name="Cr52" wo="0.124142524198"/>
+      <sab name="c_H_in_H2O"/>
       <isotropic>H1 O16 B10 B11 Fe54 Fe56 Fe57 Fe58 Ni58 Mn55 Cr52</isotropic>
     </material>
     <material id="10" name="Top nozzle region">
-      <density units="g/cm3" value="1.746" />
-      <nuclide name="H1" wo="0.035887" />
-      <nuclide name="O16" wo="0.2847761" />
-      <nuclide name="B10" wo="0.000115699" />
-      <nuclide name="B11" wo="0.000527075" />
-      <nuclide name="Fe54" wo="0.02644016154" />
-      <nuclide name="Fe56" wo="0.43037146399" />
-      <nuclide name="Fe57" wo="0.0101152584" />
-      <nuclide name="Fe58" wo="0.00137211607" />
-      <nuclide name="Ni58" wo="0.04104621835" />
-      <nuclide name="Mn55" wo="0.0135739" />
-      <nuclide name="Cr52" wo="0.107931450781" />
-      <sab name="c_H_in_H2O" />
+      <density units="g/cm3" value="1.746"/>
+      <nuclide name="H1" wo="0.035887"/>
+      <nuclide name="O16" wo="0.2847761"/>
+      <nuclide name="B10" wo="0.000115699"/>
+      <nuclide name="B11" wo="0.000527075"/>
+      <nuclide name="Fe54" wo="0.02644016154"/>
+      <nuclide name="Fe56" wo="0.43037146399"/>
+      <nuclide name="Fe57" wo="0.0101152584"/>
+      <nuclide name="Fe58" wo="0.00137211607"/>
+      <nuclide name="Ni58" wo="0.04104621835"/>
+      <nuclide name="Mn55" wo="0.0135739"/>
+      <nuclide name="Cr52" wo="0.107931450781"/>
+      <sab name="c_H_in_H2O"/>
       <isotropic>H1 O16 B10 B11 Fe54 Fe56 Fe57 Fe58 Ni58 Mn55 Cr52</isotropic>
     </material>
     <material id="11" name="Top of fuel assemblies">
-      <density units="g/cm3" value="3.044" />
-      <nuclide name="H1" wo="0.0162913" />
-      <nuclide name="O16" wo="0.1292776" />
-      <nuclide name="B10" wo="5.25228e-05" />
-      <nuclide name="B11" wo="0.000239272" />
-      <nuclide name="Zr90" wo="0.43313403903" />
-      <nuclide name="Zr91" wo="0.09549277374" />
-      <nuclide name="Zr92" wo="0.14759527104" />
-      <nuclide name="Zr94" wo="0.15280552077" />
-      <nuclide name="Zr96" wo="0.02511169542" />
-      <sab name="c_H_in_H2O" />
+      <density units="g/cm3" value="3.044"/>
+      <nuclide name="H1" wo="0.0162913"/>
+      <nuclide name="O16" wo="0.1292776"/>
+      <nuclide name="B10" wo="5.25228e-05"/>
+      <nuclide name="B11" wo="0.000239272"/>
+      <nuclide name="Zr90" wo="0.43313403903"/>
+      <nuclide name="Zr91" wo="0.09549277374"/>
+      <nuclide name="Zr92" wo="0.14759527104"/>
+      <nuclide name="Zr94" wo="0.15280552077"/>
+      <nuclide name="Zr96" wo="0.02511169542"/>
+      <sab name="c_H_in_H2O"/>
       <isotropic>H1 O16 B10 B11 Zr90 Zr91 Zr92 Zr94 Zr96</isotropic>
     </material>
     <material id="12" name="Bottom of fuel assemblies">
-      <density units="g/cm3" value="1.762" />
-      <nuclide name="H1" wo="0.0292856" />
-      <nuclide name="O16" wo="0.2323919" />
-      <nuclide name="B10" wo="9.44159e-05" />
-      <nuclide name="B11" wo="0.00043012" />
-      <nuclide name="Zr90" wo="0.3741373658" />
-      <nuclide name="Zr91" wo="0.0824858164" />
-      <nuclide name="Zr92" wo="0.1274914944" />
-      <nuclide name="Zr94" wo="0.1319920622" />
-      <nuclide name="Zr96" wo="0.0216912612" />
-      <sab name="c_H_in_H2O" />
+      <density units="g/cm3" value="1.762"/>
+      <nuclide name="H1" wo="0.0292856"/>
+      <nuclide name="O16" wo="0.2323919"/>
+      <nuclide name="B10" wo="9.44159e-05"/>
+      <nuclide name="B11" wo="0.00043012"/>
+      <nuclide name="Zr90" wo="0.3741373658"/>
+      <nuclide name="Zr91" wo="0.0824858164"/>
+      <nuclide name="Zr92" wo="0.1274914944"/>
+      <nuclide name="Zr94" wo="0.1319920622"/>
+      <nuclide name="Zr96" wo="0.0216912612"/>
+      <sab name="c_H_in_H2O"/>
       <isotropic>H1 O16 B10 B11 Zr90 Zr91 Zr92 Zr94 Zr96</isotropic>
     </material>
   </materials>
   <geometry>
-    <cell fill="200" id="1" region="-6 34 -35" universe="0" />
-    <cell fill="201" id="2" region="-6 35 -36" universe="0" />
-    <cell id="3" material="8" region="-7 31 -32" universe="0" />
-    <cell id="4" material="9" region="-5 32 -33" universe="0" />
-    <cell id="5" material="12" region="-5 33 -34" universe="0" />
-    <cell id="6" material="11" region="-5 36 -37" universe="0" />
-    <cell id="7" material="10" region="-5 37 -38" universe="0" />
-    <cell id="8" material="7" region="-7 38 -39" universe="0" />
-    <cell id="9" material="9" region="6 -7 32 -38" universe="0" />
-    <cell id="10" material="5" region="7 -8 31 -39" universe="0" />
-    <cell id="11" material="6" region="5 -6 32 -34" universe="0" />
-    <cell id="12" material="7" region="5 -6 36 -38" universe="0" />
-    <cell id="21" material="1" region="-1" universe="1" />
-    <cell id="22" material="2" region="1 -2" universe="1" />
-    <cell id="23" material="3" region="2" universe="1" />
-    <cell id="24" material="3" region="-3" universe="2" />
-    <cell id="25" material="2" region="3 -4" universe="2" />
-    <cell id="26" material="3" region="4" universe="2" />
-    <cell id="27" material="1" region="-1" universe="3" />
-    <cell id="28" material="2" region="1 -2" universe="3" />
-    <cell id="29" material="4" region="2" universe="3" />
-    <cell id="30" material="4" region="-3" universe="4" />
-    <cell id="31" material="2" region="3 -4" universe="4" />
-    <cell id="32" material="4" region="4" universe="4" />
-    <cell id="50" material="3" region="34 -35" universe="5" />
-    <cell fill="100" id="60" region="34 -35" universe="6" />
-    <cell id="70" material="4" region="35 -36" universe="7" />
-    <cell fill="101" id="80" region="35 -36" universe="8" />
+    <cell fill="200" id="1" region="-6 34 -35" universe="0"/>
+    <cell fill="201" id="2" region="-6 35 -36" universe="0"/>
+    <cell id="3" material="8" region="-7 31 -32" universe="0"/>
+    <cell id="4" material="9" region="-5 32 -33" universe="0"/>
+    <cell id="5" material="12" region="-5 33 -34" universe="0"/>
+    <cell id="6" material="11" region="-5 36 -37" universe="0"/>
+    <cell id="7" material="10" region="-5 37 -38" universe="0"/>
+    <cell id="8" material="7" region="-7 38 -39" universe="0"/>
+    <cell id="9" material="9" region="6 -7 32 -38" universe="0"/>
+    <cell id="10" material="5" region="7 -8 31 -39" universe="0"/>
+    <cell id="11" material="6" region="5 -6 32 -34" universe="0"/>
+    <cell id="12" material="7" region="5 -6 36 -38" universe="0"/>
+    <cell id="21" material="1" region="-1" universe="1"/>
+    <cell id="22" material="2" region="1 -2" universe="1"/>
+    <cell id="23" material="3" region="2" universe="1"/>
+    <cell id="24" material="3" region="-3" universe="2"/>
+    <cell id="25" material="2" region="3 -4" universe="2"/>
+    <cell id="26" material="3" region="4" universe="2"/>
+    <cell id="27" material="1" region="-1" universe="3"/>
+    <cell id="28" material="2" region="1 -2" universe="3"/>
+    <cell id="29" material="4" region="2" universe="3"/>
+    <cell id="30" material="4" region="-3" universe="4"/>
+    <cell id="31" material="2" region="3 -4" universe="4"/>
+    <cell id="32" material="4" region="4" universe="4"/>
+    <cell id="50" material="3" region="34 -35" universe="5"/>
+    <cell fill="100" id="60" region="34 -35" universe="6"/>
+    <cell id="70" material="4" region="35 -36" universe="7"/>
+    <cell fill="101" id="80" region="35 -36" universe="8"/>
     <lattice id="100" name="Fuel assembly (lower half)">
       <pitch>1.26 1.26</pitch>
       <dimension>17 17</dimension>
@@ -289,23 +289,23 @@
 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 
 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 </universes>
     </lattice>
-    <surface coeffs="0.0 0.0 0.41" id="1" type="z-cylinder" />
-    <surface coeffs="0.0 0.0 0.475" id="2" type="z-cylinder" />
-    <surface coeffs="0.0 0.0 0.56" id="3" type="z-cylinder" />
-    <surface coeffs="0.0 0.0 0.62" id="4" type="z-cylinder" />
-    <surface coeffs="0.0 0.0 187.6" id="5" type="z-cylinder" />
-    <surface coeffs="0.0 0.0 209.0" id="6" type="z-cylinder" />
-    <surface coeffs="0.0 0.0 229.0" id="7" type="z-cylinder" />
-    <surface boundary="vacuum" coeffs="0.0 0.0 249.0" id="8" type="z-cylinder" />
-    <surface boundary="vacuum" coeffs="-229.0" id="31" type="z-plane" />
-    <surface coeffs="-199.0" id="32" type="z-plane" />
-    <surface coeffs="-193.0" id="33" type="z-plane" />
-    <surface coeffs="-183.0" id="34" type="z-plane" />
-    <surface coeffs="0.0" id="35" type="z-plane" />
-    <surface coeffs="183.0" id="36" type="z-plane" />
-    <surface coeffs="203.0" id="37" type="z-plane" />
-    <surface coeffs="215.0" id="38" type="z-plane" />
-    <surface boundary="vacuum" coeffs="223.0" id="39" type="z-plane" />
+    <surface coeffs="0.0 0.0 0.41" id="1" type="z-cylinder"/>
+    <surface coeffs="0.0 0.0 0.475" id="2" type="z-cylinder"/>
+    <surface coeffs="0.0 0.0 0.56" id="3" type="z-cylinder"/>
+    <surface coeffs="0.0 0.0 0.62" id="4" type="z-cylinder"/>
+    <surface coeffs="0.0 0.0 187.6" id="5" type="z-cylinder"/>
+    <surface coeffs="0.0 0.0 209.0" id="6" type="z-cylinder"/>
+    <surface coeffs="0.0 0.0 229.0" id="7" type="z-cylinder"/>
+    <surface boundary="vacuum" coeffs="0.0 0.0 249.0" id="8" type="z-cylinder"/>
+    <surface boundary="vacuum" coeffs="-229.0" id="31" type="z-plane"/>
+    <surface coeffs="-199.0" id="32" type="z-plane"/>
+    <surface coeffs="-193.0" id="33" type="z-plane"/>
+    <surface coeffs="-183.0" id="34" type="z-plane"/>
+    <surface coeffs="0.0" id="35" type="z-plane"/>
+    <surface coeffs="183.0" id="36" type="z-plane"/>
+    <surface coeffs="203.0" id="37" type="z-plane"/>
+    <surface coeffs="215.0" id="38" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="223.0" id="39" type="z-plane"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
diff --git a/tests/regression_tests/lattice_hex_coincident/inputs_true.dat b/tests/regression_tests/lattice_hex_coincident/inputs_true.dat
index 639235726..c51a38c89 100644
--- a/tests/regression_tests/lattice_hex_coincident/inputs_true.dat
+++ b/tests/regression_tests/lattice_hex_coincident/inputs_true.dat
@@ -2,43 +2,43 @@
 <model>
   <materials>
     <material depletable="true" id="1">
-      <density units="sum" />
-      <nuclide ao="0.0049817" name="U235" />
+      <density units="sum"/>
+      <nuclide ao="0.0049817" name="U235"/>
     </material>
     <material id="2">
-      <density units="atom/b-cm" value="0.017742" />
-      <nuclide ao="1.0" name="C0" />
-      <sab name="c_Graphite" />
+      <density units="atom/b-cm" value="0.017742"/>
+      <nuclide ao="1.0" name="C0"/>
+      <sab name="c_Graphite"/>
     </material>
     <material id="3" name="Lead">
-      <density units="g/cm3" value="10.32" />
-      <nuclide ao="0.014" name="Pb204" />
-      <nuclide ao="0.241" name="Pb206" />
-      <nuclide ao="0.221" name="Pb207" />
-      <nuclide ao="0.524" name="Pb208" />
+      <density units="g/cm3" value="10.32"/>
+      <nuclide ao="0.014" name="Pb204"/>
+      <nuclide ao="0.241" name="Pb206"/>
+      <nuclide ao="0.221" name="Pb207"/>
+      <nuclide ao="0.524" name="Pb208"/>
     </material>
     <material id="4">
-      <density units="atom/b-cm" value="0.00054464" />
-      <nuclide ao="1.0" name="He4" />
+      <density units="atom/b-cm" value="0.00054464"/>
+      <nuclide ao="1.0" name="He4"/>
     </material>
     <material id="5" name="Zirc4">
-      <density units="sum" />
-      <nuclide ao="0.02217" name="Zr90" />
-      <nuclide ao="0.004781" name="Zr91" />
-      <nuclide ao="0.007228" name="Zr92" />
-      <nuclide ao="0.007169" name="Zr94" />
-      <nuclide ao="0.001131" name="Zr96" />
+      <density units="sum"/>
+      <nuclide ao="0.02217" name="Zr90"/>
+      <nuclide ao="0.004781" name="Zr91"/>
+      <nuclide ao="0.007228" name="Zr92"/>
+      <nuclide ao="0.007169" name="Zr94"/>
+      <nuclide ao="0.001131" name="Zr96"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" region="-1 2 -3" universe="1" />
-    <cell id="2" material="2" region="1" universe="1" />
-    <cell id="3" material="4" name="coolant" region="-4 2 -3" universe="2" />
-    <cell id="4" material="5" name="zirconium_shell" region="4 -5 2 -3" universe="2" />
-    <cell id="5" material="3" name="lead_shell" region="5 -6 2 -3" universe="2" />
-    <cell id="6" material="2" name="matrix coolant surround" region="6 2 -3" universe="2" />
-    <cell id="7" material="2" universe="3" />
-    <cell fill="4" id="8" name="container cell" region="-7 8 -9 10 11 -12 2 -3" universe="5" />
+    <cell id="1" material="1" region="-1 2 -3" universe="1"/>
+    <cell id="2" material="2" region="1" universe="1"/>
+    <cell id="3" material="4" name="coolant" region="-4 2 -3" universe="2"/>
+    <cell id="4" material="5" name="zirconium_shell" region="4 -5 2 -3" universe="2"/>
+    <cell id="5" material="3" name="lead_shell" region="5 -6 2 -3" universe="2"/>
+    <cell id="6" material="2" name="matrix coolant surround" region="6 2 -3" universe="2"/>
+    <cell id="7" material="2" universe="3"/>
+    <cell fill="4" id="8" name="container cell" region="-7 8 -9 10 11 -12 2 -3" universe="5"/>
     <hex_lattice id="4" n_rings="2" name="regular fuel assembly">
       <pitch>1.4</pitch>
       <outer>3</outer>
@@ -50,18 +50,18 @@
 2 2
  2</universes>
     </hex_lattice>
-    <surface coeffs="0.0 0.0 0.7" id="1" type="z-cylinder" />
-    <surface boundary="reflective" coeffs="0.0" id="2" type="z-plane" />
-    <surface boundary="reflective" coeffs="10.0" id="3" type="z-plane" />
-    <surface coeffs="0.0 0.0 0.293" id="4" type="z-cylinder" />
-    <surface coeffs="0.0 0.0 0.35" id="5" type="z-cylinder" />
-    <surface coeffs="0.0 0.0 0.352" id="6" type="z-cylinder" />
-    <surface boundary="reflective" coeffs="1.4" id="7" type="y-plane" />
-    <surface boundary="reflective" coeffs="-1.4" id="8" type="y-plane" />
-    <surface boundary="reflective" coeffs="1.7320508075688772 1.0 0.0 2.8" id="9" type="plane" />
-    <surface boundary="reflective" coeffs="-1.7320508075688772 1.0 0.0 -2.8" id="10" type="plane" />
-    <surface boundary="reflective" coeffs="1.7320508075688772 1.0 0.0 -2.8" id="11" type="plane" />
-    <surface boundary="reflective" coeffs="-1.7320508075688772 1.0 0.0 2.8" id="12" type="plane" />
+    <surface coeffs="0.0 0.0 0.7" id="1" type="z-cylinder"/>
+    <surface boundary="reflective" coeffs="0.0" id="2" type="z-plane"/>
+    <surface boundary="reflective" coeffs="10.0" id="3" type="z-plane"/>
+    <surface coeffs="0.0 0.0 0.293" id="4" type="z-cylinder"/>
+    <surface coeffs="0.0 0.0 0.35" id="5" type="z-cylinder"/>
+    <surface coeffs="0.0 0.0 0.352" id="6" type="z-cylinder"/>
+    <surface boundary="reflective" coeffs="1.4" id="7" type="y-plane"/>
+    <surface boundary="reflective" coeffs="-1.4" id="8" type="y-plane"/>
+    <surface boundary="reflective" coeffs="1.7320508075688772 1.0 0.0 2.8" id="9" type="plane"/>
+    <surface boundary="reflective" coeffs="-1.7320508075688772 1.0 0.0 -2.8" id="10" type="plane"/>
+    <surface boundary="reflective" coeffs="1.7320508075688772 1.0 0.0 -2.8" id="11" type="plane"/>
+    <surface boundary="reflective" coeffs="-1.7320508075688772 1.0 0.0 2.8" id="12" type="plane"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
diff --git a/tests/regression_tests/lattice_hex_x/inputs_true.dat b/tests/regression_tests/lattice_hex_x/inputs_true.dat
index 2cff10f75..c51012029 100644
--- a/tests/regression_tests/lattice_hex_x/inputs_true.dat
+++ b/tests/regression_tests/lattice_hex_x/inputs_true.dat
@@ -2,47 +2,47 @@
 <model>
   <materials>
     <material depletable="true" id="1" name="UO2">
-      <density units="sum" />
-      <nuclide ao="0.0008737" name="U235" />
-      <nuclide ao="0.018744" name="U238" />
-      <nuclide ao="0.039235" name="O16" />
+      <density units="sum"/>
+      <nuclide ao="0.0008737" name="U235"/>
+      <nuclide ao="0.018744" name="U238"/>
+      <nuclide ao="0.039235" name="O16"/>
     </material>
     <material id="2" name="borated H2O">
-      <density units="sum" />
-      <nuclide ao="0.06694" name="H1" />
-      <nuclide ao="0.03347" name="O16" />
-      <nuclide ao="6.6262e-06" name="B10" />
-      <nuclide ao="2.6839e-05" name="B11" />
+      <density units="sum"/>
+      <nuclide ao="0.06694" name="H1"/>
+      <nuclide ao="0.03347" name="O16"/>
+      <nuclide ao="6.6262e-06" name="B10"/>
+      <nuclide ao="2.6839e-05" name="B11"/>
     </material>
     <material id="3" name="pellet B4C">
-      <density units="sum" />
-      <nuclide ao="0.01966" name="C0" />
-      <nuclide ao="4.7344e-06" name="B11" />
-      <nuclide ao="1.9177e-05" name="B10" />
+      <density units="sum"/>
+      <nuclide ao="0.01966" name="C0"/>
+      <nuclide ao="4.7344e-06" name="B11"/>
+      <nuclide ao="1.9177e-05" name="B10"/>
     </material>
     <material id="4" name="Zirc4">
-      <density units="sum" />
-      <nuclide ao="0.021763349999999997" name="Zr90" />
-      <nuclide ao="0.00474606" name="Zr91" />
-      <nuclide ao="0.00725445" name="Zr92" />
-      <nuclide ao="0.00735174" name="Zr94" />
-      <nuclide ao="0.0011844" name="Zr96" />
+      <density units="sum"/>
+      <nuclide ao="0.021763349999999997" name="Zr90"/>
+      <nuclide ao="0.00474606" name="Zr91"/>
+      <nuclide ao="0.00725445" name="Zr92"/>
+      <nuclide ao="0.00735174" name="Zr94"/>
+      <nuclide ao="0.0011844" name="Zr96"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" region="-1" universe="1" />
-    <cell id="2" material="4" region="-2 1" universe="1" />
-    <cell id="3" material="2" region="2" universe="1" />
-    <cell id="4" material="2" region="-3" universe="2" />
-    <cell id="5" material="4" region="-4 3" universe="2" />
-    <cell id="6" material="2" region="4" universe="2" />
-    <cell id="7" material="3" region="-5" universe="3" />
-    <cell id="8" material="4" region="-6 5" universe="3" />
-    <cell id="9" material="2" region="-7 6" universe="3" />
-    <cell id="10" material="4" region="-8 7" universe="3" />
-    <cell id="11" material="2" region="8" universe="3" />
-    <cell id="12" material="2" universe="4" />
-    <cell fill="6" id="13" name="container assembly cell" region="-11 12 -13 14 15 -16 9 -10" universe="5" />
+    <cell id="1" material="1" region="-1" universe="1"/>
+    <cell id="2" material="4" region="-2 1" universe="1"/>
+    <cell id="3" material="2" region="2" universe="1"/>
+    <cell id="4" material="2" region="-3" universe="2"/>
+    <cell id="5" material="4" region="-4 3" universe="2"/>
+    <cell id="6" material="2" region="4" universe="2"/>
+    <cell id="7" material="3" region="-5" universe="3"/>
+    <cell id="8" material="4" region="-6 5" universe="3"/>
+    <cell id="9" material="2" region="-7 6" universe="3"/>
+    <cell id="10" material="4" region="-8 7" universe="3"/>
+    <cell id="11" material="2" region="8" universe="3"/>
+    <cell id="12" material="2" universe="4"/>
+    <cell fill="6" id="13" name="container assembly cell" region="-11 12 -13 14 15 -16 9 -10" universe="5"/>
     <hex_lattice id="6" n_axial="2" n_rings="11" name="regular fuel assembly" orientation="x">
       <pitch>1.235 5.0</pitch>
       <outer>4</outer>
@@ -91,22 +91,22 @@
          1 1 1 1 1 1 1 1 1 1 1 1
           1 1 1 1 1 1 1 1 1 1 1</universes>
     </hex_lattice>
-    <surface coeffs="0.0 0.0 0.386" id="1" type="z-cylinder" />
-    <surface coeffs="0.0 0.0 0.4582" id="2" type="z-cylinder" />
-    <surface coeffs="0.0 0.0 0.45" id="3" type="z-cylinder" />
-    <surface coeffs="0.0 0.0 0.5177" id="4" type="z-cylinder" />
-    <surface coeffs="0.0 0.0 0.35" id="5" type="z-cylinder" />
-    <surface coeffs="0.0 0.0 0.41" id="6" type="z-cylinder" />
-    <surface coeffs="0.0 0.0 0.545" id="7" type="z-cylinder" />
-    <surface coeffs="0.0 0.0 0.6323" id="8" type="z-cylinder" />
-    <surface boundary="reflective" coeffs="0.0" id="9" type="z-plane" />
-    <surface boundary="reflective" coeffs="10.0" id="10" type="z-plane" />
-    <surface boundary="reflective" coeffs="11.8" id="11" type="y-plane" />
-    <surface boundary="reflective" coeffs="-11.8" id="12" type="y-plane" />
-    <surface boundary="reflective" coeffs="1.7320508075688772 1.0 0.0 23.6" id="13" type="plane" />
-    <surface boundary="reflective" coeffs="-1.7320508075688772 1.0 0.0 -23.6" id="14" type="plane" />
-    <surface boundary="reflective" coeffs="1.7320508075688772 1.0 0.0 -23.6" id="15" type="plane" />
-    <surface boundary="reflective" coeffs="-1.7320508075688772 1.0 0.0 23.6" id="16" type="plane" />
+    <surface coeffs="0.0 0.0 0.386" id="1" type="z-cylinder"/>
+    <surface coeffs="0.0 0.0 0.4582" id="2" type="z-cylinder"/>
+    <surface coeffs="0.0 0.0 0.45" id="3" type="z-cylinder"/>
+    <surface coeffs="0.0 0.0 0.5177" id="4" type="z-cylinder"/>
+    <surface coeffs="0.0 0.0 0.35" id="5" type="z-cylinder"/>
+    <surface coeffs="0.0 0.0 0.41" id="6" type="z-cylinder"/>
+    <surface coeffs="0.0 0.0 0.545" id="7" type="z-cylinder"/>
+    <surface coeffs="0.0 0.0 0.6323" id="8" type="z-cylinder"/>
+    <surface boundary="reflective" coeffs="0.0" id="9" type="z-plane"/>
+    <surface boundary="reflective" coeffs="10.0" id="10" type="z-plane"/>
+    <surface boundary="reflective" coeffs="11.8" id="11" type="y-plane"/>
+    <surface boundary="reflective" coeffs="-11.8" id="12" type="y-plane"/>
+    <surface boundary="reflective" coeffs="1.7320508075688772 1.0 0.0 23.6" id="13" type="plane"/>
+    <surface boundary="reflective" coeffs="-1.7320508075688772 1.0 0.0 -23.6" id="14" type="plane"/>
+    <surface boundary="reflective" coeffs="1.7320508075688772 1.0 0.0 -23.6" id="15" type="plane"/>
+    <surface boundary="reflective" coeffs="-1.7320508075688772 1.0 0.0 23.6" id="16" type="plane"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
diff --git a/tests/regression_tests/lattice_multiple/inputs_true.dat b/tests/regression_tests/lattice_multiple/inputs_true.dat
index 0eed3c201..b249d97c4 100644
--- a/tests/regression_tests/lattice_multiple/inputs_true.dat
+++ b/tests/regression_tests/lattice_multiple/inputs_true.dat
@@ -2,24 +2,24 @@
 <model>
   <materials>
     <material depletable="true" id="1" name="UO2">
-      <density units="g/cm3" value="10.0" />
-      <nuclide ao="1.0" name="U235" />
-      <nuclide ao="2.0" name="O16" />
+      <density units="g/cm3" value="10.0"/>
+      <nuclide ao="1.0" name="U235"/>
+      <nuclide ao="2.0" name="O16"/>
     </material>
     <material id="2" name="light water">
-      <density units="g/cm3" value="1.0" />
-      <nuclide ao="2.0" name="H1" />
-      <nuclide ao="1.0" name="O16" />
-      <sab name="c_H_in_H2O" />
+      <density units="g/cm3" value="1.0"/>
+      <nuclide ao="2.0" name="H1"/>
+      <nuclide ao="1.0" name="O16"/>
+      <sab name="c_H_in_H2O"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" region="-1" universe="1" />
-    <cell id="2" material="2" region="1" universe="1" />
-    <cell id="3" material="1" region="-2" universe="2" />
-    <cell id="4" material="2" region="2" universe="2" />
-    <cell fill="3" id="5" universe="4" />
-    <cell fill="5" id="6" region="3 -4 5 -6" universe="6" />
+    <cell id="1" material="1" region="-1" universe="1"/>
+    <cell id="2" material="2" region="1" universe="1"/>
+    <cell id="3" material="1" region="-2" universe="2"/>
+    <cell id="4" material="2" region="2" universe="2"/>
+    <cell fill="3" id="5" universe="4"/>
+    <cell fill="5" id="6" region="3 -4 5 -6" universe="6"/>
     <lattice id="3">
       <pitch>1.2 1.2</pitch>
       <outer>1</outer>
@@ -37,12 +37,12 @@
 4 4 
 4 4 </universes>
     </lattice>
-    <surface coeffs="0.0 0.0 0.4" id="1" type="z-cylinder" />
-    <surface coeffs="0.0 0.0 0.5" id="2" type="z-cylinder" />
-    <surface boundary="reflective" coeffs="-2.4" id="3" name="minimum x" type="x-plane" />
-    <surface boundary="reflective" coeffs="2.4" id="4" name="maximum x" type="x-plane" />
-    <surface boundary="reflective" coeffs="-2.4" id="5" name="minimum y" type="y-plane" />
-    <surface boundary="reflective" coeffs="2.4" id="6" name="maximum y" type="y-plane" />
+    <surface coeffs="0.0 0.0 0.4" id="1" type="z-cylinder"/>
+    <surface coeffs="0.0 0.0 0.5" id="2" type="z-cylinder"/>
+    <surface boundary="reflective" coeffs="-2.4" id="3" name="minimum x" type="x-plane"/>
+    <surface boundary="reflective" coeffs="2.4" id="4" name="maximum x" type="x-plane"/>
+    <surface boundary="reflective" coeffs="-2.4" id="5" name="minimum y" type="y-plane"/>
+    <surface boundary="reflective" coeffs="2.4" id="6" name="maximum y" type="y-plane"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
diff --git a/tests/regression_tests/lattice_rotated/inputs_true.dat b/tests/regression_tests/lattice_rotated/inputs_true.dat
index 8e54bdf88..3a8a0784e 100644
--- a/tests/regression_tests/lattice_rotated/inputs_true.dat
+++ b/tests/regression_tests/lattice_rotated/inputs_true.dat
@@ -2,29 +2,29 @@
 <model>
   <materials>
     <material depletable="true" id="1">
-      <density units="g/cm3" value="10.0" />
-      <nuclide ao="1.0" name="U235" />
+      <density units="g/cm3" value="10.0"/>
+      <nuclide ao="1.0" name="U235"/>
     </material>
     <material depletable="true" id="2">
-      <density units="g/cm3" value="10.0" />
-      <nuclide ao="1.0" name="U238" />
+      <density units="g/cm3" value="10.0"/>
+      <nuclide ao="1.0" name="U238"/>
     </material>
     <material id="3">
-      <density units="g/cm3" value="1.0" />
-      <nuclide ao="2.0" name="H1" />
-      <nuclide ao="1.0" name="O16" />
-      <sab name="c_H_in_H2O" />
+      <density units="g/cm3" value="1.0"/>
+      <nuclide ao="2.0" name="H1"/>
+      <nuclide ao="1.0" name="O16"/>
+      <sab name="c_H_in_H2O"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" region="-1" universe="1" />
-    <cell id="2" material="3" region="1" universe="1" />
-    <cell id="3" material="2" region="-2" universe="2" />
-    <cell id="4" material="3" region="2" universe="2" />
-    <cell id="5" material="3" universe="30" />
-    <cell fill="4" id="6" region="-3" rotation="0.0 0.0 45.0" translation="-4.0 0.0 0.0" universe="5" />
-    <cell fill="3" id="7" region="-4" rotation="0.0 0.0 30.0" translation="4.0 0.0 0.0" universe="5" />
-    <cell id="8" material="3" region="-5 3 4" universe="5" />
+    <cell id="1" material="1" region="-1" universe="1"/>
+    <cell id="2" material="3" region="1" universe="1"/>
+    <cell id="3" material="2" region="-2" universe="2"/>
+    <cell id="4" material="3" region="2" universe="2"/>
+    <cell id="5" material="3" universe="30"/>
+    <cell fill="4" id="6" region="-3" rotation="0.0 0.0 45.0" translation="-4.0 0.0 0.0" universe="5"/>
+    <cell fill="3" id="7" region="-4" rotation="0.0 0.0 30.0" translation="4.0 0.0 0.0" universe="5"/>
+    <cell id="8" material="3" region="-5 3 4" universe="5"/>
     <hex_lattice id="3" n_rings="3">
       <pitch>1.25</pitch>
       <outer>30</outer>
@@ -51,11 +51,11 @@
 1 1 1 1 
 1 1 1 1 </universes>
     </lattice>
-    <surface coeffs="0.0 0.0 0.25" id="1" type="z-cylinder" />
-    <surface coeffs="0.0 0.0 0.5" id="2" type="z-cylinder" />
-    <surface coeffs="-4.0 0.0 4.0" id="3" type="z-cylinder" />
-    <surface coeffs="4.0 0.0 4.0" id="4" type="z-cylinder" />
-    <surface boundary="vacuum" coeffs="0.0 0.0 8.0" id="5" type="z-cylinder" />
+    <surface coeffs="0.0 0.0 0.25" id="1" type="z-cylinder"/>
+    <surface coeffs="0.0 0.0 0.5" id="2" type="z-cylinder"/>
+    <surface coeffs="-4.0 0.0 4.0" id="3" type="z-cylinder"/>
+    <surface coeffs="4.0 0.0 4.0" id="4" type="z-cylinder"/>
+    <surface boundary="vacuum" coeffs="0.0 0.0 8.0" id="5" type="z-cylinder"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
diff --git a/tests/regression_tests/mg_basic/inputs_true.dat b/tests/regression_tests/mg_basic/inputs_true.dat
index 06406b5f2..5ec5ade75 100644
--- a/tests/regression_tests/mg_basic/inputs_true.dat
+++ b/tests/regression_tests/mg_basic/inputs_true.dat
@@ -3,45 +3,45 @@
   <materials>
     <cross_sections>2g.h5</cross_sections>
     <material id="1" name="base leg">
-      <density units="macro" value="1.0" />
-      <macroscopic name="mat_1" />
+      <density units="macro" value="1.0"/>
+      <macroscopic name="mat_1"/>
     </material>
     <material id="2" name="base tab">
-      <density units="macro" value="1.0" />
-      <macroscopic name="mat_2" />
+      <density units="macro" value="1.0"/>
+      <macroscopic name="mat_2"/>
     </material>
     <material id="3" name="base hist">
-      <density units="macro" value="1.0" />
-      <macroscopic name="mat_3" />
+      <density units="macro" value="1.0"/>
+      <macroscopic name="mat_3"/>
     </material>
     <material id="4" name="base matrix">
-      <density units="macro" value="1.0" />
-      <macroscopic name="mat_4" />
+      <density units="macro" value="1.0"/>
+      <macroscopic name="mat_4"/>
     </material>
     <material id="5" name="base ang">
-      <density units="macro" value="1.0" />
-      <macroscopic name="mat_5" />
+      <density units="macro" value="1.0"/>
+      <macroscopic name="mat_5"/>
     </material>
     <material id="6" name="micro">
-      <density units="sum" />
-      <nuclide ao="0.5" name="mat_1" />
-      <nuclide ao="0.5" name="mat_6" />
+      <density units="sum"/>
+      <nuclide ao="0.5" name="mat_1"/>
+      <nuclide ao="0.5" name="mat_6"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" region="1 -2" universe="0" />
-    <cell id="2" material="2" region="2 -3" universe="0" />
-    <cell id="3" material="3" region="3 -4" universe="0" />
-    <cell id="4" material="4" region="4 -5" universe="0" />
-    <cell id="5" material="5" region="5 -6" universe="0" />
-    <cell id="6" material="6" region="6 -7" universe="0" />
-    <surface boundary="reflective" coeffs="0.0" id="1" type="x-plane" />
-    <surface coeffs="154.90833333333333" id="2" type="x-plane" />
-    <surface coeffs="309.81666666666666" id="3" type="x-plane" />
-    <surface coeffs="464.725" id="4" type="x-plane" />
-    <surface coeffs="619.6333333333333" id="5" type="x-plane" />
-    <surface coeffs="774.5416666666666" id="6" type="x-plane" />
-    <surface boundary="vacuum" coeffs="929.45" id="7" type="x-plane" />
+    <cell id="1" material="1" region="1 -2" universe="0"/>
+    <cell id="2" material="2" region="2 -3" universe="0"/>
+    <cell id="3" material="3" region="3 -4" universe="0"/>
+    <cell id="4" material="4" region="4 -5" universe="0"/>
+    <cell id="5" material="5" region="5 -6" universe="0"/>
+    <cell id="6" material="6" region="6 -7" universe="0"/>
+    <surface boundary="reflective" coeffs="0.0" id="1" type="x-plane"/>
+    <surface coeffs="154.90833333333333" id="2" type="x-plane"/>
+    <surface coeffs="309.81666666666666" id="3" type="x-plane"/>
+    <surface coeffs="464.725" id="4" type="x-plane"/>
+    <surface coeffs="619.6333333333333" id="5" type="x-plane"/>
+    <surface coeffs="774.5416666666666" id="6" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="929.45" id="7" type="x-plane"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
diff --git a/tests/regression_tests/mg_basic_delayed/inputs_true.dat b/tests/regression_tests/mg_basic_delayed/inputs_true.dat
index 05108d87d..b3f1993d9 100644
--- a/tests/regression_tests/mg_basic_delayed/inputs_true.dat
+++ b/tests/regression_tests/mg_basic_delayed/inputs_true.dat
@@ -3,44 +3,44 @@
   <materials>
     <cross_sections>2g.h5</cross_sections>
     <material id="1" name="vec beta">
-      <density units="macro" value="1.0" />
-      <macroscopic name="mat_1" />
+      <density units="macro" value="1.0"/>
+      <macroscopic name="mat_1"/>
     </material>
     <material id="2" name="vec no beta">
-      <density units="macro" value="1.0" />
-      <macroscopic name="mat_2" />
+      <density units="macro" value="1.0"/>
+      <macroscopic name="mat_2"/>
     </material>
     <material id="3" name="matrix beta">
-      <density units="macro" value="1.0" />
-      <macroscopic name="mat_3" />
+      <density units="macro" value="1.0"/>
+      <macroscopic name="mat_3"/>
     </material>
     <material id="4" name="matrix no beta">
-      <density units="macro" value="1.0" />
-      <macroscopic name="mat_4" />
+      <density units="macro" value="1.0"/>
+      <macroscopic name="mat_4"/>
     </material>
     <material id="5" name="vec group beta">
-      <density units="macro" value="1.0" />
-      <macroscopic name="mat_5" />
+      <density units="macro" value="1.0"/>
+      <macroscopic name="mat_5"/>
     </material>
     <material id="6" name="matrix group beta">
-      <density units="macro" value="1.0" />
-      <macroscopic name="mat_6" />
+      <density units="macro" value="1.0"/>
+      <macroscopic name="mat_6"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" region="1 -2" universe="0" />
-    <cell id="2" material="2" region="2 -3" universe="0" />
-    <cell id="3" material="3" region="3 -4" universe="0" />
-    <cell id="4" material="4" region="4 -5" universe="0" />
-    <cell id="5" material="5" region="5 -6" universe="0" />
-    <cell id="6" material="6" region="6 -7" universe="0" />
-    <surface boundary="reflective" coeffs="0.0" id="1" type="x-plane" />
-    <surface coeffs="154.90833333333333" id="2" type="x-plane" />
-    <surface coeffs="309.81666666666666" id="3" type="x-plane" />
-    <surface coeffs="464.725" id="4" type="x-plane" />
-    <surface coeffs="619.6333333333333" id="5" type="x-plane" />
-    <surface coeffs="774.5416666666666" id="6" type="x-plane" />
-    <surface boundary="vacuum" coeffs="929.45" id="7" type="x-plane" />
+    <cell id="1" material="1" region="1 -2" universe="0"/>
+    <cell id="2" material="2" region="2 -3" universe="0"/>
+    <cell id="3" material="3" region="3 -4" universe="0"/>
+    <cell id="4" material="4" region="4 -5" universe="0"/>
+    <cell id="5" material="5" region="5 -6" universe="0"/>
+    <cell id="6" material="6" region="6 -7" universe="0"/>
+    <surface boundary="reflective" coeffs="0.0" id="1" type="x-plane"/>
+    <surface coeffs="154.90833333333333" id="2" type="x-plane"/>
+    <surface coeffs="309.81666666666666" id="3" type="x-plane"/>
+    <surface coeffs="464.725" id="4" type="x-plane"/>
+    <surface coeffs="619.6333333333333" id="5" type="x-plane"/>
+    <surface coeffs="774.5416666666666" id="6" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="929.45" id="7" type="x-plane"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
diff --git a/tests/regression_tests/mg_convert/inputs_true.dat b/tests/regression_tests/mg_convert/inputs_true.dat
index 9276a7a7b..8277ca483 100644
--- a/tests/regression_tests/mg_convert/inputs_true.dat
+++ b/tests/regression_tests/mg_convert/inputs_true.dat
@@ -3,16 +3,16 @@
   <materials>
     <cross_sections>mgxs.h5</cross_sections>
     <material id="1" name="UO2 fuel">
-      <density units="macro" value="1.1" />
-      <macroscopic name="UO2" />
+      <density units="macro" value="1.1"/>
+      <macroscopic name="UO2"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="cell 1" region="4 -5 6 -7" universe="0" />
-    <surface boundary="reflective" coeffs="-5.0" id="4" name="left" type="x-plane" />
-    <surface boundary="vacuum" coeffs="5.0" id="5" name="right" type="x-plane" />
-    <surface boundary="reflective" coeffs="-5.0" id="6" name="bottom" type="y-plane" />
-    <surface boundary="reflective" coeffs="5.0" id="7" name="top" type="y-plane" />
+    <cell id="1" material="1" name="cell 1" region="4 -5 6 -7" universe="0"/>
+    <surface boundary="reflective" coeffs="-5.0" id="4" name="left" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="5.0" id="5" name="right" type="x-plane"/>
+    <surface boundary="reflective" coeffs="-5.0" id="6" name="bottom" type="y-plane"/>
+    <surface boundary="reflective" coeffs="5.0" id="7" name="top" type="y-plane"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
diff --git a/tests/regression_tests/mg_legendre/inputs_true.dat b/tests/regression_tests/mg_legendre/inputs_true.dat
index d90dfb802..4b7293d81 100644
--- a/tests/regression_tests/mg_legendre/inputs_true.dat
+++ b/tests/regression_tests/mg_legendre/inputs_true.dat
@@ -3,14 +3,14 @@
   <materials>
     <cross_sections>2g.h5</cross_sections>
     <material id="1" name="mat_1">
-      <density units="macro" value="1.0" />
-      <macroscopic name="mat_1" />
+      <density units="macro" value="1.0"/>
+      <macroscopic name="mat_1"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" region="1 -2" universe="0" />
-    <surface boundary="reflective" coeffs="0.0" id="1" type="x-plane" />
-    <surface boundary="vacuum" coeffs="929.45" id="2" type="x-plane" />
+    <cell id="1" material="1" region="1 -2" universe="0"/>
+    <surface boundary="reflective" coeffs="0.0" id="1" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="929.45" id="2" type="x-plane"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
diff --git a/tests/regression_tests/mg_max_order/inputs_true.dat b/tests/regression_tests/mg_max_order/inputs_true.dat
index 9bfcd54df..82699d00e 100644
--- a/tests/regression_tests/mg_max_order/inputs_true.dat
+++ b/tests/regression_tests/mg_max_order/inputs_true.dat
@@ -3,14 +3,14 @@
   <materials>
     <cross_sections>2g.h5</cross_sections>
     <material id="1" name="mat_1">
-      <density units="macro" value="1.0" />
-      <macroscopic name="mat_1" />
+      <density units="macro" value="1.0"/>
+      <macroscopic name="mat_1"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" region="1 -2" universe="0" />
-    <surface boundary="reflective" coeffs="0.0" id="1" type="x-plane" />
-    <surface boundary="vacuum" coeffs="929.45" id="2" type="x-plane" />
+    <cell id="1" material="1" region="1 -2" universe="0"/>
+    <surface boundary="reflective" coeffs="0.0" id="1" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="929.45" id="2" type="x-plane"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
diff --git a/tests/regression_tests/mg_survival_biasing/inputs_true.dat b/tests/regression_tests/mg_survival_biasing/inputs_true.dat
index a3a2a726f..2b5801e12 100644
--- a/tests/regression_tests/mg_survival_biasing/inputs_true.dat
+++ b/tests/regression_tests/mg_survival_biasing/inputs_true.dat
@@ -3,14 +3,14 @@
   <materials>
     <cross_sections>2g.h5</cross_sections>
     <material id="1" name="mat_1">
-      <density units="macro" value="1.0" />
-      <macroscopic name="mat_1" />
+      <density units="macro" value="1.0"/>
+      <macroscopic name="mat_1"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" region="1 -2" universe="0" />
-    <surface boundary="reflective" coeffs="0.0" id="1" type="x-plane" />
-    <surface boundary="vacuum" coeffs="929.45" id="2" type="x-plane" />
+    <cell id="1" material="1" region="1 -2" universe="0"/>
+    <surface boundary="reflective" coeffs="0.0" id="1" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="929.45" id="2" type="x-plane"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
diff --git a/tests/regression_tests/mg_tallies/inputs_true.dat b/tests/regression_tests/mg_tallies/inputs_true.dat
index bdd41c7f8..b7d362b17 100644
--- a/tests/regression_tests/mg_tallies/inputs_true.dat
+++ b/tests/regression_tests/mg_tallies/inputs_true.dat
@@ -3,14 +3,14 @@
   <materials>
     <cross_sections>2g.h5</cross_sections>
     <material id="1" name="mat_1">
-      <density units="macro" value="1.0" />
-      <macroscopic name="mat_1" />
+      <density units="macro" value="1.0"/>
+      <macroscopic name="mat_1"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" region="1 -2" universe="0" />
-    <surface boundary="reflective" coeffs="0.0" id="1" type="x-plane" />
-    <surface boundary="vacuum" coeffs="929.45" id="2" type="x-plane" />
+    <cell id="1" material="1" region="1 -2" universe="0"/>
+    <surface boundary="reflective" coeffs="0.0" id="1" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="929.45" id="2" type="x-plane"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
diff --git a/tests/regression_tests/mgxs_library_ce_to_mg/inputs_true.dat b/tests/regression_tests/mgxs_library_ce_to_mg/inputs_true.dat
index 533160577..74067874a 100644
--- a/tests/regression_tests/mgxs_library_ce_to_mg/inputs_true.dat
+++ b/tests/regression_tests/mgxs_library_ce_to_mg/inputs_true.dat
@@ -2,39 +2,39 @@
 <model>
   <materials>
     <material depletable="true" id="1" name="UO2 (2.4%)">
-      <density units="g/cm3" value="10.29769" />
-      <nuclide ao="4.4843e-06" name="U234" />
-      <nuclide ao="0.00055815" name="U235" />
-      <nuclide ao="0.022408" name="U238" />
-      <nuclide ao="0.045829" name="O16" />
+      <density units="g/cm3" value="10.29769"/>
+      <nuclide ao="4.4843e-06" name="U234"/>
+      <nuclide ao="0.00055815" name="U235"/>
+      <nuclide ao="0.022408" name="U238"/>
+      <nuclide ao="0.045829" name="O16"/>
     </material>
     <material id="2" name="Zircaloy">
-      <density units="g/cm3" value="6.55" />
-      <nuclide ao="0.021827" name="Zr90" />
-      <nuclide ao="0.00476" name="Zr91" />
-      <nuclide ao="0.0072758" name="Zr92" />
-      <nuclide ao="0.0073734" name="Zr94" />
-      <nuclide ao="0.0011879" name="Zr96" />
+      <density units="g/cm3" value="6.55"/>
+      <nuclide ao="0.021827" name="Zr90"/>
+      <nuclide ao="0.00476" name="Zr91"/>
+      <nuclide ao="0.0072758" name="Zr92"/>
+      <nuclide ao="0.0073734" name="Zr94"/>
+      <nuclide ao="0.0011879" name="Zr96"/>
     </material>
     <material id="3" name="Hot borated water">
-      <density units="g/cm3" value="0.740582" />
-      <nuclide ao="0.049457" name="H1" />
-      <nuclide ao="0.024672" name="O16" />
-      <nuclide ao="8.0042e-06" name="B10" />
-      <nuclide ao="3.2218e-05" name="B11" />
-      <sab name="c_H_in_H2O" />
+      <density units="g/cm3" value="0.740582"/>
+      <nuclide ao="0.049457" name="H1"/>
+      <nuclide ao="0.024672" name="O16"/>
+      <nuclide ao="8.0042e-06" name="B10"/>
+      <nuclide ao="3.2218e-05" name="B11"/>
+      <sab name="c_H_in_H2O"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="Fuel" region="-1" universe="0" />
-    <cell id="2" material="2" name="Cladding" region="1 -2" universe="0" />
-    <cell id="3" material="3" name="Water" region="2 3 -4 5 -6" universe="0" />
-    <surface coeffs="0 0 0.39218" id="1" name="Fuel OR" type="z-cylinder" />
-    <surface coeffs="0 0 0.4572" id="2" name="Clad OR" type="z-cylinder" />
-    <surface boundary="reflective" coeffs="-0.63" id="3" name="left" type="x-plane" />
-    <surface boundary="reflective" coeffs="0.63" id="4" name="right" type="x-plane" />
-    <surface boundary="reflective" coeffs="-0.63" id="5" name="bottom" type="y-plane" />
-    <surface boundary="reflective" coeffs="0.63" id="6" name="top" type="y-plane" />
+    <cell id="1" material="1" name="Fuel" region="-1" universe="0"/>
+    <cell id="2" material="2" name="Cladding" region="1 -2" universe="0"/>
+    <cell id="3" material="3" name="Water" region="2 3 -4 5 -6" universe="0"/>
+    <surface coeffs="0 0 0.39218" id="1" name="Fuel OR" type="z-cylinder"/>
+    <surface coeffs="0 0 0.4572" id="2" name="Clad OR" type="z-cylinder"/>
+    <surface boundary="reflective" coeffs="-0.63" id="3" name="left" type="x-plane"/>
+    <surface boundary="reflective" coeffs="0.63" id="4" name="right" type="x-plane"/>
+    <surface boundary="reflective" coeffs="-0.63" id="5" name="bottom" type="y-plane"/>
+    <surface boundary="reflective" coeffs="0.63" id="6" name="top" type="y-plane"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
diff --git a/tests/regression_tests/mgxs_library_ce_to_mg_nuclides/inputs_true.dat b/tests/regression_tests/mgxs_library_ce_to_mg_nuclides/inputs_true.dat
index fe154a018..13a6ea6d4 100644
--- a/tests/regression_tests/mgxs_library_ce_to_mg_nuclides/inputs_true.dat
+++ b/tests/regression_tests/mgxs_library_ce_to_mg_nuclides/inputs_true.dat
@@ -2,39 +2,39 @@
 <model>
   <materials>
     <material depletable="true" id="1" name="UO2 (2.4%)">
-      <density units="g/cm3" value="10.29769" />
-      <nuclide ao="4.4843e-06" name="U234" />
-      <nuclide ao="0.00055815" name="U235" />
-      <nuclide ao="0.022408" name="U238" />
-      <nuclide ao="0.045829" name="O16" />
+      <density units="g/cm3" value="10.29769"/>
+      <nuclide ao="4.4843e-06" name="U234"/>
+      <nuclide ao="0.00055815" name="U235"/>
+      <nuclide ao="0.022408" name="U238"/>
+      <nuclide ao="0.045829" name="O16"/>
     </material>
     <material id="2" name="Zircaloy">
-      <density units="g/cm3" value="6.55" />
-      <nuclide ao="0.021827" name="Zr90" />
-      <nuclide ao="0.00476" name="Zr91" />
-      <nuclide ao="0.0072758" name="Zr92" />
-      <nuclide ao="0.0073734" name="Zr94" />
-      <nuclide ao="0.0011879" name="Zr96" />
+      <density units="g/cm3" value="6.55"/>
+      <nuclide ao="0.021827" name="Zr90"/>
+      <nuclide ao="0.00476" name="Zr91"/>
+      <nuclide ao="0.0072758" name="Zr92"/>
+      <nuclide ao="0.0073734" name="Zr94"/>
+      <nuclide ao="0.0011879" name="Zr96"/>
     </material>
     <material id="3" name="Hot borated water">
-      <density units="g/cm3" value="0.740582" />
-      <nuclide ao="0.049457" name="H1" />
-      <nuclide ao="0.024672" name="O16" />
-      <nuclide ao="8.0042e-06" name="B10" />
-      <nuclide ao="3.2218e-05" name="B11" />
-      <sab name="c_H_in_H2O" />
+      <density units="g/cm3" value="0.740582"/>
+      <nuclide ao="0.049457" name="H1"/>
+      <nuclide ao="0.024672" name="O16"/>
+      <nuclide ao="8.0042e-06" name="B10"/>
+      <nuclide ao="3.2218e-05" name="B11"/>
+      <sab name="c_H_in_H2O"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="Fuel" region="-1" universe="0" />
-    <cell id="2" material="2" name="Cladding" region="1 -2" universe="0" />
-    <cell id="3" material="3" name="Water" region="2 3 -4 5 -6" universe="0" />
-    <surface coeffs="0 0 0.39218" id="1" name="Fuel OR" type="z-cylinder" />
-    <surface coeffs="0 0 0.4572" id="2" name="Clad OR" type="z-cylinder" />
-    <surface boundary="reflective" coeffs="-0.63" id="3" name="left" type="x-plane" />
-    <surface boundary="reflective" coeffs="0.63" id="4" name="right" type="x-plane" />
-    <surface boundary="reflective" coeffs="-0.63" id="5" name="bottom" type="y-plane" />
-    <surface boundary="reflective" coeffs="0.63" id="6" name="top" type="y-plane" />
+    <cell id="1" material="1" name="Fuel" region="-1" universe="0"/>
+    <cell id="2" material="2" name="Cladding" region="1 -2" universe="0"/>
+    <cell id="3" material="3" name="Water" region="2 3 -4 5 -6" universe="0"/>
+    <surface coeffs="0 0 0.39218" id="1" name="Fuel OR" type="z-cylinder"/>
+    <surface coeffs="0 0 0.4572" id="2" name="Clad OR" type="z-cylinder"/>
+    <surface boundary="reflective" coeffs="-0.63" id="3" name="left" type="x-plane"/>
+    <surface boundary="reflective" coeffs="0.63" id="4" name="right" type="x-plane"/>
+    <surface boundary="reflective" coeffs="-0.63" id="5" name="bottom" type="y-plane"/>
+    <surface boundary="reflective" coeffs="0.63" id="6" name="top" type="y-plane"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
diff --git a/tests/regression_tests/mgxs_library_condense/inputs_true.dat b/tests/regression_tests/mgxs_library_condense/inputs_true.dat
index c8f140f80..ce7095765 100644
--- a/tests/regression_tests/mgxs_library_condense/inputs_true.dat
+++ b/tests/regression_tests/mgxs_library_condense/inputs_true.dat
@@ -2,39 +2,39 @@
 <model>
   <materials>
     <material depletable="true" id="1" name="UO2 (2.4%)">
-      <density units="g/cm3" value="10.29769" />
-      <nuclide ao="4.4843e-06" name="U234" />
-      <nuclide ao="0.00055815" name="U235" />
-      <nuclide ao="0.022408" name="U238" />
-      <nuclide ao="0.045829" name="O16" />
+      <density units="g/cm3" value="10.29769"/>
+      <nuclide ao="4.4843e-06" name="U234"/>
+      <nuclide ao="0.00055815" name="U235"/>
+      <nuclide ao="0.022408" name="U238"/>
+      <nuclide ao="0.045829" name="O16"/>
     </material>
     <material id="2" name="Zircaloy">
-      <density units="g/cm3" value="6.55" />
-      <nuclide ao="0.021827" name="Zr90" />
-      <nuclide ao="0.00476" name="Zr91" />
-      <nuclide ao="0.0072758" name="Zr92" />
-      <nuclide ao="0.0073734" name="Zr94" />
-      <nuclide ao="0.0011879" name="Zr96" />
+      <density units="g/cm3" value="6.55"/>
+      <nuclide ao="0.021827" name="Zr90"/>
+      <nuclide ao="0.00476" name="Zr91"/>
+      <nuclide ao="0.0072758" name="Zr92"/>
+      <nuclide ao="0.0073734" name="Zr94"/>
+      <nuclide ao="0.0011879" name="Zr96"/>
     </material>
     <material id="3" name="Hot borated water">
-      <density units="g/cm3" value="0.740582" />
-      <nuclide ao="0.049457" name="H1" />
-      <nuclide ao="0.024672" name="O16" />
-      <nuclide ao="8.0042e-06" name="B10" />
-      <nuclide ao="3.2218e-05" name="B11" />
-      <sab name="c_H_in_H2O" />
+      <density units="g/cm3" value="0.740582"/>
+      <nuclide ao="0.049457" name="H1"/>
+      <nuclide ao="0.024672" name="O16"/>
+      <nuclide ao="8.0042e-06" name="B10"/>
+      <nuclide ao="3.2218e-05" name="B11"/>
+      <sab name="c_H_in_H2O"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="Fuel" region="-1" universe="0" />
-    <cell id="2" material="2" name="Cladding" region="1 -2" universe="0" />
-    <cell id="3" material="3" name="Water" region="2 3 -4 5 -6" universe="0" />
-    <surface coeffs="0 0 0.39218" id="1" name="Fuel OR" type="z-cylinder" />
-    <surface coeffs="0 0 0.4572" id="2" name="Clad OR" type="z-cylinder" />
-    <surface boundary="reflective" coeffs="-0.63" id="3" name="left" type="x-plane" />
-    <surface boundary="reflective" coeffs="0.63" id="4" name="right" type="x-plane" />
-    <surface boundary="reflective" coeffs="-0.63" id="5" name="bottom" type="y-plane" />
-    <surface boundary="reflective" coeffs="0.63" id="6" name="top" type="y-plane" />
+    <cell id="1" material="1" name="Fuel" region="-1" universe="0"/>
+    <cell id="2" material="2" name="Cladding" region="1 -2" universe="0"/>
+    <cell id="3" material="3" name="Water" region="2 3 -4 5 -6" universe="0"/>
+    <surface coeffs="0 0 0.39218" id="1" name="Fuel OR" type="z-cylinder"/>
+    <surface coeffs="0 0 0.4572" id="2" name="Clad OR" type="z-cylinder"/>
+    <surface boundary="reflective" coeffs="-0.63" id="3" name="left" type="x-plane"/>
+    <surface boundary="reflective" coeffs="0.63" id="4" name="right" type="x-plane"/>
+    <surface boundary="reflective" coeffs="-0.63" id="5" name="bottom" type="y-plane"/>
+    <surface boundary="reflective" coeffs="0.63" id="6" name="top" type="y-plane"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
diff --git a/tests/regression_tests/mgxs_library_correction/inputs_true.dat b/tests/regression_tests/mgxs_library_correction/inputs_true.dat
index a1cc111de..4d9dbecd6 100644
--- a/tests/regression_tests/mgxs_library_correction/inputs_true.dat
+++ b/tests/regression_tests/mgxs_library_correction/inputs_true.dat
@@ -2,39 +2,39 @@
 <model>
   <materials>
     <material depletable="true" id="1" name="UO2 (2.4%)">
-      <density units="g/cm3" value="10.29769" />
-      <nuclide ao="4.4843e-06" name="U234" />
-      <nuclide ao="0.00055815" name="U235" />
-      <nuclide ao="0.022408" name="U238" />
-      <nuclide ao="0.045829" name="O16" />
+      <density units="g/cm3" value="10.29769"/>
+      <nuclide ao="4.4843e-06" name="U234"/>
+      <nuclide ao="0.00055815" name="U235"/>
+      <nuclide ao="0.022408" name="U238"/>
+      <nuclide ao="0.045829" name="O16"/>
     </material>
     <material id="2" name="Zircaloy">
-      <density units="g/cm3" value="6.55" />
-      <nuclide ao="0.021827" name="Zr90" />
-      <nuclide ao="0.00476" name="Zr91" />
-      <nuclide ao="0.0072758" name="Zr92" />
-      <nuclide ao="0.0073734" name="Zr94" />
-      <nuclide ao="0.0011879" name="Zr96" />
+      <density units="g/cm3" value="6.55"/>
+      <nuclide ao="0.021827" name="Zr90"/>
+      <nuclide ao="0.00476" name="Zr91"/>
+      <nuclide ao="0.0072758" name="Zr92"/>
+      <nuclide ao="0.0073734" name="Zr94"/>
+      <nuclide ao="0.0011879" name="Zr96"/>
     </material>
     <material id="3" name="Hot borated water">
-      <density units="g/cm3" value="0.740582" />
-      <nuclide ao="0.049457" name="H1" />
-      <nuclide ao="0.024672" name="O16" />
-      <nuclide ao="8.0042e-06" name="B10" />
-      <nuclide ao="3.2218e-05" name="B11" />
-      <sab name="c_H_in_H2O" />
+      <density units="g/cm3" value="0.740582"/>
+      <nuclide ao="0.049457" name="H1"/>
+      <nuclide ao="0.024672" name="O16"/>
+      <nuclide ao="8.0042e-06" name="B10"/>
+      <nuclide ao="3.2218e-05" name="B11"/>
+      <sab name="c_H_in_H2O"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="Fuel" region="-1" universe="0" />
-    <cell id="2" material="2" name="Cladding" region="1 -2" universe="0" />
-    <cell id="3" material="3" name="Water" region="2 3 -4 5 -6" universe="0" />
-    <surface coeffs="0 0 0.39218" id="1" name="Fuel OR" type="z-cylinder" />
-    <surface coeffs="0 0 0.4572" id="2" name="Clad OR" type="z-cylinder" />
-    <surface boundary="reflective" coeffs="-0.63" id="3" name="left" type="x-plane" />
-    <surface boundary="reflective" coeffs="0.63" id="4" name="right" type="x-plane" />
-    <surface boundary="reflective" coeffs="-0.63" id="5" name="bottom" type="y-plane" />
-    <surface boundary="reflective" coeffs="0.63" id="6" name="top" type="y-plane" />
+    <cell id="1" material="1" name="Fuel" region="-1" universe="0"/>
+    <cell id="2" material="2" name="Cladding" region="1 -2" universe="0"/>
+    <cell id="3" material="3" name="Water" region="2 3 -4 5 -6" universe="0"/>
+    <surface coeffs="0 0 0.39218" id="1" name="Fuel OR" type="z-cylinder"/>
+    <surface coeffs="0 0 0.4572" id="2" name="Clad OR" type="z-cylinder"/>
+    <surface boundary="reflective" coeffs="-0.63" id="3" name="left" type="x-plane"/>
+    <surface boundary="reflective" coeffs="0.63" id="4" name="right" type="x-plane"/>
+    <surface boundary="reflective" coeffs="-0.63" id="5" name="bottom" type="y-plane"/>
+    <surface boundary="reflective" coeffs="0.63" id="6" name="top" type="y-plane"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
diff --git a/tests/regression_tests/mgxs_library_distribcell/inputs_true.dat b/tests/regression_tests/mgxs_library_distribcell/inputs_true.dat
index 895389fb9..893e0b3bf 100644
--- a/tests/regression_tests/mgxs_library_distribcell/inputs_true.dat
+++ b/tests/regression_tests/mgxs_library_distribcell/inputs_true.dat
@@ -2,37 +2,37 @@
 <model>
   <materials>
     <material depletable="true" id="1" name="Fuel">
-      <density units="g/cm3" value="10.29769" />
-      <nuclide ao="4.4843e-06" name="U234" />
-      <nuclide ao="0.00055815" name="U235" />
-      <nuclide ao="0.022408" name="U238" />
-      <nuclide ao="0.045829" name="O16" />
+      <density units="g/cm3" value="10.29769"/>
+      <nuclide ao="4.4843e-06" name="U234"/>
+      <nuclide ao="0.00055815" name="U235"/>
+      <nuclide ao="0.022408" name="U238"/>
+      <nuclide ao="0.045829" name="O16"/>
     </material>
     <material id="2" name="Cladding">
-      <density units="g/cm3" value="6.55" />
-      <nuclide ao="0.021827" name="Zr90" />
-      <nuclide ao="0.00476" name="Zr91" />
-      <nuclide ao="0.0072758" name="Zr92" />
-      <nuclide ao="0.0073734" name="Zr94" />
-      <nuclide ao="0.0011879" name="Zr96" />
+      <density units="g/cm3" value="6.55"/>
+      <nuclide ao="0.021827" name="Zr90"/>
+      <nuclide ao="0.00476" name="Zr91"/>
+      <nuclide ao="0.0072758" name="Zr92"/>
+      <nuclide ao="0.0073734" name="Zr94"/>
+      <nuclide ao="0.0011879" name="Zr96"/>
     </material>
     <material id="3" name="Hot borated water">
-      <density units="g/cm3" value="0.740582" />
-      <nuclide ao="0.049457" name="H1" />
-      <nuclide ao="0.024672" name="O16" />
-      <nuclide ao="8.0042e-06" name="B10" />
-      <nuclide ao="3.2218e-05" name="B11" />
-      <sab name="c_H_in_H2O" />
+      <density units="g/cm3" value="0.740582"/>
+      <nuclide ao="0.049457" name="H1"/>
+      <nuclide ao="0.024672" name="O16"/>
+      <nuclide ao="8.0042e-06" name="B10"/>
+      <nuclide ao="3.2218e-05" name="B11"/>
+      <sab name="c_H_in_H2O"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="fuel" region="-1" universe="1" />
-    <cell id="2" material="2" name="clad" region="1 -2" universe="1" />
-    <cell id="3" material="3" name="hot water" region="2" universe="1" />
-    <cell id="4" material="3" name="guide tube inner water" region="-1" universe="2" />
-    <cell id="5" material="2" name="guide tube clad" region="1 -2" universe="2" />
-    <cell id="6" material="3" name="guide tube outer water" region="2" universe="2" />
-    <cell fill="3" id="7" name="root cell" region="3 -4 5 -6" universe="4" />
+    <cell id="1" material="1" name="fuel" region="-1" universe="1"/>
+    <cell id="2" material="2" name="clad" region="1 -2" universe="1"/>
+    <cell id="3" material="3" name="hot water" region="2" universe="1"/>
+    <cell id="4" material="3" name="guide tube inner water" region="-1" universe="2"/>
+    <cell id="5" material="2" name="guide tube clad" region="1 -2" universe="2"/>
+    <cell id="6" material="3" name="guide tube outer water" region="2" universe="2"/>
+    <cell fill="3" id="7" name="root cell" region="3 -4 5 -6" universe="4"/>
     <lattice id="3" name="Fuel Assembly">
       <pitch>1.26 1.26</pitch>
       <dimension>17 17</dimension>
@@ -56,12 +56,12 @@
 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 
 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 </universes>
     </lattice>
-    <surface coeffs="0 0 0.39218" id="1" name="Fuel OR" type="z-cylinder" />
-    <surface coeffs="0 0 0.4572" id="2" name="Clad OR" type="z-cylinder" />
-    <surface boundary="reflective" coeffs="-10.71" id="3" type="x-plane" />
-    <surface boundary="reflective" coeffs="10.71" id="4" type="x-plane" />
-    <surface boundary="reflective" coeffs="-10.71" id="5" type="y-plane" />
-    <surface boundary="reflective" coeffs="10.71" id="6" type="y-plane" />
+    <surface coeffs="0 0 0.39218" id="1" name="Fuel OR" type="z-cylinder"/>
+    <surface coeffs="0 0 0.4572" id="2" name="Clad OR" type="z-cylinder"/>
+    <surface boundary="reflective" coeffs="-10.71" id="3" type="x-plane"/>
+    <surface boundary="reflective" coeffs="10.71" id="4" type="x-plane"/>
+    <surface boundary="reflective" coeffs="-10.71" id="5" type="y-plane"/>
+    <surface boundary="reflective" coeffs="10.71" id="6" type="y-plane"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
diff --git a/tests/regression_tests/mgxs_library_hdf5/inputs_true.dat b/tests/regression_tests/mgxs_library_hdf5/inputs_true.dat
index c8f140f80..ce7095765 100644
--- a/tests/regression_tests/mgxs_library_hdf5/inputs_true.dat
+++ b/tests/regression_tests/mgxs_library_hdf5/inputs_true.dat
@@ -2,39 +2,39 @@
 <model>
   <materials>
     <material depletable="true" id="1" name="UO2 (2.4%)">
-      <density units="g/cm3" value="10.29769" />
-      <nuclide ao="4.4843e-06" name="U234" />
-      <nuclide ao="0.00055815" name="U235" />
-      <nuclide ao="0.022408" name="U238" />
-      <nuclide ao="0.045829" name="O16" />
+      <density units="g/cm3" value="10.29769"/>
+      <nuclide ao="4.4843e-06" name="U234"/>
+      <nuclide ao="0.00055815" name="U235"/>
+      <nuclide ao="0.022408" name="U238"/>
+      <nuclide ao="0.045829" name="O16"/>
     </material>
     <material id="2" name="Zircaloy">
-      <density units="g/cm3" value="6.55" />
-      <nuclide ao="0.021827" name="Zr90" />
-      <nuclide ao="0.00476" name="Zr91" />
-      <nuclide ao="0.0072758" name="Zr92" />
-      <nuclide ao="0.0073734" name="Zr94" />
-      <nuclide ao="0.0011879" name="Zr96" />
+      <density units="g/cm3" value="6.55"/>
+      <nuclide ao="0.021827" name="Zr90"/>
+      <nuclide ao="0.00476" name="Zr91"/>
+      <nuclide ao="0.0072758" name="Zr92"/>
+      <nuclide ao="0.0073734" name="Zr94"/>
+      <nuclide ao="0.0011879" name="Zr96"/>
     </material>
     <material id="3" name="Hot borated water">
-      <density units="g/cm3" value="0.740582" />
-      <nuclide ao="0.049457" name="H1" />
-      <nuclide ao="0.024672" name="O16" />
-      <nuclide ao="8.0042e-06" name="B10" />
-      <nuclide ao="3.2218e-05" name="B11" />
-      <sab name="c_H_in_H2O" />
+      <density units="g/cm3" value="0.740582"/>
+      <nuclide ao="0.049457" name="H1"/>
+      <nuclide ao="0.024672" name="O16"/>
+      <nuclide ao="8.0042e-06" name="B10"/>
+      <nuclide ao="3.2218e-05" name="B11"/>
+      <sab name="c_H_in_H2O"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="Fuel" region="-1" universe="0" />
-    <cell id="2" material="2" name="Cladding" region="1 -2" universe="0" />
-    <cell id="3" material="3" name="Water" region="2 3 -4 5 -6" universe="0" />
-    <surface coeffs="0 0 0.39218" id="1" name="Fuel OR" type="z-cylinder" />
-    <surface coeffs="0 0 0.4572" id="2" name="Clad OR" type="z-cylinder" />
-    <surface boundary="reflective" coeffs="-0.63" id="3" name="left" type="x-plane" />
-    <surface boundary="reflective" coeffs="0.63" id="4" name="right" type="x-plane" />
-    <surface boundary="reflective" coeffs="-0.63" id="5" name="bottom" type="y-plane" />
-    <surface boundary="reflective" coeffs="0.63" id="6" name="top" type="y-plane" />
+    <cell id="1" material="1" name="Fuel" region="-1" universe="0"/>
+    <cell id="2" material="2" name="Cladding" region="1 -2" universe="0"/>
+    <cell id="3" material="3" name="Water" region="2 3 -4 5 -6" universe="0"/>
+    <surface coeffs="0 0 0.39218" id="1" name="Fuel OR" type="z-cylinder"/>
+    <surface coeffs="0 0 0.4572" id="2" name="Clad OR" type="z-cylinder"/>
+    <surface boundary="reflective" coeffs="-0.63" id="3" name="left" type="x-plane"/>
+    <surface boundary="reflective" coeffs="0.63" id="4" name="right" type="x-plane"/>
+    <surface boundary="reflective" coeffs="-0.63" id="5" name="bottom" type="y-plane"/>
+    <surface boundary="reflective" coeffs="0.63" id="6" name="top" type="y-plane"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
diff --git a/tests/regression_tests/mgxs_library_histogram/inputs_true.dat b/tests/regression_tests/mgxs_library_histogram/inputs_true.dat
index 0ea55bb04..f45b7dbf3 100644
--- a/tests/regression_tests/mgxs_library_histogram/inputs_true.dat
+++ b/tests/regression_tests/mgxs_library_histogram/inputs_true.dat
@@ -2,39 +2,39 @@
 <model>
   <materials>
     <material depletable="true" id="1" name="UO2 (2.4%)">
-      <density units="g/cm3" value="10.29769" />
-      <nuclide ao="4.4843e-06" name="U234" />
-      <nuclide ao="0.00055815" name="U235" />
-      <nuclide ao="0.022408" name="U238" />
-      <nuclide ao="0.045829" name="O16" />
+      <density units="g/cm3" value="10.29769"/>
+      <nuclide ao="4.4843e-06" name="U234"/>
+      <nuclide ao="0.00055815" name="U235"/>
+      <nuclide ao="0.022408" name="U238"/>
+      <nuclide ao="0.045829" name="O16"/>
     </material>
     <material id="2" name="Zircaloy">
-      <density units="g/cm3" value="6.55" />
-      <nuclide ao="0.021827" name="Zr90" />
-      <nuclide ao="0.00476" name="Zr91" />
-      <nuclide ao="0.0072758" name="Zr92" />
-      <nuclide ao="0.0073734" name="Zr94" />
-      <nuclide ao="0.0011879" name="Zr96" />
+      <density units="g/cm3" value="6.55"/>
+      <nuclide ao="0.021827" name="Zr90"/>
+      <nuclide ao="0.00476" name="Zr91"/>
+      <nuclide ao="0.0072758" name="Zr92"/>
+      <nuclide ao="0.0073734" name="Zr94"/>
+      <nuclide ao="0.0011879" name="Zr96"/>
     </material>
     <material id="3" name="Hot borated water">
-      <density units="g/cm3" value="0.740582" />
-      <nuclide ao="0.049457" name="H1" />
-      <nuclide ao="0.024672" name="O16" />
-      <nuclide ao="8.0042e-06" name="B10" />
-      <nuclide ao="3.2218e-05" name="B11" />
-      <sab name="c_H_in_H2O" />
+      <density units="g/cm3" value="0.740582"/>
+      <nuclide ao="0.049457" name="H1"/>
+      <nuclide ao="0.024672" name="O16"/>
+      <nuclide ao="8.0042e-06" name="B10"/>
+      <nuclide ao="3.2218e-05" name="B11"/>
+      <sab name="c_H_in_H2O"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="Fuel" region="-1" universe="0" />
-    <cell id="2" material="2" name="Cladding" region="1 -2" universe="0" />
-    <cell id="3" material="3" name="Water" region="2 3 -4 5 -6" universe="0" />
-    <surface coeffs="0 0 0.39218" id="1" name="Fuel OR" type="z-cylinder" />
-    <surface coeffs="0 0 0.4572" id="2" name="Clad OR" type="z-cylinder" />
-    <surface boundary="reflective" coeffs="-0.63" id="3" name="left" type="x-plane" />
-    <surface boundary="reflective" coeffs="0.63" id="4" name="right" type="x-plane" />
-    <surface boundary="reflective" coeffs="-0.63" id="5" name="bottom" type="y-plane" />
-    <surface boundary="reflective" coeffs="0.63" id="6" name="top" type="y-plane" />
+    <cell id="1" material="1" name="Fuel" region="-1" universe="0"/>
+    <cell id="2" material="2" name="Cladding" region="1 -2" universe="0"/>
+    <cell id="3" material="3" name="Water" region="2 3 -4 5 -6" universe="0"/>
+    <surface coeffs="0 0 0.39218" id="1" name="Fuel OR" type="z-cylinder"/>
+    <surface coeffs="0 0 0.4572" id="2" name="Clad OR" type="z-cylinder"/>
+    <surface boundary="reflective" coeffs="-0.63" id="3" name="left" type="x-plane"/>
+    <surface boundary="reflective" coeffs="0.63" id="4" name="right" type="x-plane"/>
+    <surface boundary="reflective" coeffs="-0.63" id="5" name="bottom" type="y-plane"/>
+    <surface boundary="reflective" coeffs="0.63" id="6" name="top" type="y-plane"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
diff --git a/tests/regression_tests/mgxs_library_mesh/inputs_true.dat b/tests/regression_tests/mgxs_library_mesh/inputs_true.dat
index b18e9773b..bb9c99026 100644
--- a/tests/regression_tests/mgxs_library_mesh/inputs_true.dat
+++ b/tests/regression_tests/mgxs_library_mesh/inputs_true.dat
@@ -2,27 +2,27 @@
 <model>
   <materials>
     <material depletable="true" id="1">
-      <density units="g/cm3" value="10.0" />
-      <nuclide ao="1.0" name="U235" />
+      <density units="g/cm3" value="10.0"/>
+      <nuclide ao="1.0" name="U235"/>
     </material>
     <material id="2">
-      <density units="g/cm3" value="1.0" />
-      <nuclide ao="1.0" name="Zr90" />
+      <density units="g/cm3" value="1.0"/>
+      <nuclide ao="1.0" name="Zr90"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" region="1 -2 3 -4 10 -9" universe="1" />
-    <cell id="2" material="2" region="~(1 -2 3 -4) (5 -6 7 -8) 10 -9" universe="1" />
-    <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane" />
-    <surface coeffs="5.0" id="2" name="maximum x" type="x-plane" />
-    <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane" />
-    <surface coeffs="5.0" id="4" name="maximum y" type="y-plane" />
-    <surface boundary="reflective" coeffs="-10.0" id="5" name="minimum x" type="x-plane" />
-    <surface boundary="reflective" coeffs="10.0" id="6" name="maximum x" type="x-plane" />
-    <surface boundary="reflective" coeffs="-10.0" id="7" name="minimum y" type="y-plane" />
-    <surface boundary="reflective" coeffs="10.0" id="8" name="maximum y" type="y-plane" />
-    <surface boundary="vacuum" coeffs="10.0" id="9" type="z-plane" />
-    <surface boundary="vacuum" coeffs="-10.0" id="10" type="z-plane" />
+    <cell id="1" material="1" region="1 -2 3 -4 10 -9" universe="1"/>
+    <cell id="2" material="2" region="~(1 -2 3 -4) (5 -6 7 -8) 10 -9" universe="1"/>
+    <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane"/>
+    <surface coeffs="5.0" id="2" name="maximum x" type="x-plane"/>
+    <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane"/>
+    <surface coeffs="5.0" id="4" name="maximum y" type="y-plane"/>
+    <surface boundary="reflective" coeffs="-10.0" id="5" name="minimum x" type="x-plane"/>
+    <surface boundary="reflective" coeffs="10.0" id="6" name="maximum x" type="x-plane"/>
+    <surface boundary="reflective" coeffs="-10.0" id="7" name="minimum y" type="y-plane"/>
+    <surface boundary="reflective" coeffs="10.0" id="8" name="maximum y" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="10.0" id="9" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="-10.0" id="10" type="z-plane"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
diff --git a/tests/regression_tests/mgxs_library_no_nuclides/inputs_true.dat b/tests/regression_tests/mgxs_library_no_nuclides/inputs_true.dat
index 54d095ac6..0608d6f96 100644
--- a/tests/regression_tests/mgxs_library_no_nuclides/inputs_true.dat
+++ b/tests/regression_tests/mgxs_library_no_nuclides/inputs_true.dat
@@ -2,39 +2,39 @@
 <model>
   <materials>
     <material depletable="true" id="1" name="UO2 (2.4%)">
-      <density units="g/cm3" value="10.29769" />
-      <nuclide ao="4.4843e-06" name="U234" />
-      <nuclide ao="0.00055815" name="U235" />
-      <nuclide ao="0.022408" name="U238" />
-      <nuclide ao="0.045829" name="O16" />
+      <density units="g/cm3" value="10.29769"/>
+      <nuclide ao="4.4843e-06" name="U234"/>
+      <nuclide ao="0.00055815" name="U235"/>
+      <nuclide ao="0.022408" name="U238"/>
+      <nuclide ao="0.045829" name="O16"/>
     </material>
     <material id="2" name="Zircaloy">
-      <density units="g/cm3" value="6.55" />
-      <nuclide ao="0.021827" name="Zr90" />
-      <nuclide ao="0.00476" name="Zr91" />
-      <nuclide ao="0.0072758" name="Zr92" />
-      <nuclide ao="0.0073734" name="Zr94" />
-      <nuclide ao="0.0011879" name="Zr96" />
+      <density units="g/cm3" value="6.55"/>
+      <nuclide ao="0.021827" name="Zr90"/>
+      <nuclide ao="0.00476" name="Zr91"/>
+      <nuclide ao="0.0072758" name="Zr92"/>
+      <nuclide ao="0.0073734" name="Zr94"/>
+      <nuclide ao="0.0011879" name="Zr96"/>
     </material>
     <material id="3" name="Hot borated water">
-      <density units="g/cm3" value="0.740582" />
-      <nuclide ao="0.049457" name="H1" />
-      <nuclide ao="0.024672" name="O16" />
-      <nuclide ao="8.0042e-06" name="B10" />
-      <nuclide ao="3.2218e-05" name="B11" />
-      <sab name="c_H_in_H2O" />
+      <density units="g/cm3" value="0.740582"/>
+      <nuclide ao="0.049457" name="H1"/>
+      <nuclide ao="0.024672" name="O16"/>
+      <nuclide ao="8.0042e-06" name="B10"/>
+      <nuclide ao="3.2218e-05" name="B11"/>
+      <sab name="c_H_in_H2O"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="Fuel" region="-1" universe="0" />
-    <cell id="2" material="2" name="Cladding" region="1 -2" universe="0" />
-    <cell id="3" material="3" name="Water" region="2 3 -4 5 -6" universe="0" />
-    <surface coeffs="0 0 0.39218" id="1" name="Fuel OR" type="z-cylinder" />
-    <surface coeffs="0 0 0.4572" id="2" name="Clad OR" type="z-cylinder" />
-    <surface boundary="reflective" coeffs="-0.63" id="3" name="left" type="x-plane" />
-    <surface boundary="reflective" coeffs="0.63" id="4" name="right" type="x-plane" />
-    <surface boundary="reflective" coeffs="-0.63" id="5" name="bottom" type="y-plane" />
-    <surface boundary="reflective" coeffs="0.63" id="6" name="top" type="y-plane" />
+    <cell id="1" material="1" name="Fuel" region="-1" universe="0"/>
+    <cell id="2" material="2" name="Cladding" region="1 -2" universe="0"/>
+    <cell id="3" material="3" name="Water" region="2 3 -4 5 -6" universe="0"/>
+    <surface coeffs="0 0 0.39218" id="1" name="Fuel OR" type="z-cylinder"/>
+    <surface coeffs="0 0 0.4572" id="2" name="Clad OR" type="z-cylinder"/>
+    <surface boundary="reflective" coeffs="-0.63" id="3" name="left" type="x-plane"/>
+    <surface boundary="reflective" coeffs="0.63" id="4" name="right" type="x-plane"/>
+    <surface boundary="reflective" coeffs="-0.63" id="5" name="bottom" type="y-plane"/>
+    <surface boundary="reflective" coeffs="0.63" id="6" name="top" type="y-plane"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
diff --git a/tests/regression_tests/mgxs_library_nuclides/inputs_true.dat b/tests/regression_tests/mgxs_library_nuclides/inputs_true.dat
index 5e9720ced..215bb7c9f 100644
--- a/tests/regression_tests/mgxs_library_nuclides/inputs_true.dat
+++ b/tests/regression_tests/mgxs_library_nuclides/inputs_true.dat
@@ -2,39 +2,39 @@
 <model>
   <materials>
     <material depletable="true" id="1" name="UO2 (2.4%)">
-      <density units="g/cm3" value="10.29769" />
-      <nuclide ao="4.4843e-06" name="U234" />
-      <nuclide ao="0.00055815" name="U235" />
-      <nuclide ao="0.022408" name="U238" />
-      <nuclide ao="0.045829" name="O16" />
+      <density units="g/cm3" value="10.29769"/>
+      <nuclide ao="4.4843e-06" name="U234"/>
+      <nuclide ao="0.00055815" name="U235"/>
+      <nuclide ao="0.022408" name="U238"/>
+      <nuclide ao="0.045829" name="O16"/>
     </material>
     <material id="2" name="Zircaloy">
-      <density units="g/cm3" value="6.55" />
-      <nuclide ao="0.021827" name="Zr90" />
-      <nuclide ao="0.00476" name="Zr91" />
-      <nuclide ao="0.0072758" name="Zr92" />
-      <nuclide ao="0.0073734" name="Zr94" />
-      <nuclide ao="0.0011879" name="Zr96" />
+      <density units="g/cm3" value="6.55"/>
+      <nuclide ao="0.021827" name="Zr90"/>
+      <nuclide ao="0.00476" name="Zr91"/>
+      <nuclide ao="0.0072758" name="Zr92"/>
+      <nuclide ao="0.0073734" name="Zr94"/>
+      <nuclide ao="0.0011879" name="Zr96"/>
     </material>
     <material id="3" name="Hot borated water">
-      <density units="g/cm3" value="0.740582" />
-      <nuclide ao="0.049457" name="H1" />
-      <nuclide ao="0.024672" name="O16" />
-      <nuclide ao="8.0042e-06" name="B10" />
-      <nuclide ao="3.2218e-05" name="B11" />
-      <sab name="c_H_in_H2O" />
+      <density units="g/cm3" value="0.740582"/>
+      <nuclide ao="0.049457" name="H1"/>
+      <nuclide ao="0.024672" name="O16"/>
+      <nuclide ao="8.0042e-06" name="B10"/>
+      <nuclide ao="3.2218e-05" name="B11"/>
+      <sab name="c_H_in_H2O"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="Fuel" region="-1" universe="0" />
-    <cell id="2" material="2" name="Cladding" region="1 -2" universe="0" />
-    <cell id="3" material="3" name="Water" region="2 3 -4 5 -6" universe="0" />
-    <surface coeffs="0 0 0.39218" id="1" name="Fuel OR" type="z-cylinder" />
-    <surface coeffs="0 0 0.4572" id="2" name="Clad OR" type="z-cylinder" />
-    <surface boundary="reflective" coeffs="-0.63" id="3" name="left" type="x-plane" />
-    <surface boundary="reflective" coeffs="0.63" id="4" name="right" type="x-plane" />
-    <surface boundary="reflective" coeffs="-0.63" id="5" name="bottom" type="y-plane" />
-    <surface boundary="reflective" coeffs="0.63" id="6" name="top" type="y-plane" />
+    <cell id="1" material="1" name="Fuel" region="-1" universe="0"/>
+    <cell id="2" material="2" name="Cladding" region="1 -2" universe="0"/>
+    <cell id="3" material="3" name="Water" region="2 3 -4 5 -6" universe="0"/>
+    <surface coeffs="0 0 0.39218" id="1" name="Fuel OR" type="z-cylinder"/>
+    <surface coeffs="0 0 0.4572" id="2" name="Clad OR" type="z-cylinder"/>
+    <surface boundary="reflective" coeffs="-0.63" id="3" name="left" type="x-plane"/>
+    <surface boundary="reflective" coeffs="0.63" id="4" name="right" type="x-plane"/>
+    <surface boundary="reflective" coeffs="-0.63" id="5" name="bottom" type="y-plane"/>
+    <surface boundary="reflective" coeffs="0.63" id="6" name="top" type="y-plane"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
diff --git a/tests/regression_tests/mgxs_library_specific_nuclides/inputs_true.dat b/tests/regression_tests/mgxs_library_specific_nuclides/inputs_true.dat
index 938b1c19d..907bf43cc 100644
--- a/tests/regression_tests/mgxs_library_specific_nuclides/inputs_true.dat
+++ b/tests/regression_tests/mgxs_library_specific_nuclides/inputs_true.dat
@@ -2,39 +2,39 @@
 <model>
   <materials>
     <material depletable="true" id="1" name="UO2 (2.4%)">
-      <density units="g/cm3" value="10.29769" />
-      <nuclide ao="4.4843e-06" name="U234" />
-      <nuclide ao="0.00055815" name="U235" />
-      <nuclide ao="0.022408" name="U238" />
-      <nuclide ao="0.045829" name="O16" />
+      <density units="g/cm3" value="10.29769"/>
+      <nuclide ao="4.4843e-06" name="U234"/>
+      <nuclide ao="0.00055815" name="U235"/>
+      <nuclide ao="0.022408" name="U238"/>
+      <nuclide ao="0.045829" name="O16"/>
     </material>
     <material id="2" name="Zircaloy">
-      <density units="g/cm3" value="6.55" />
-      <nuclide ao="0.021827" name="Zr90" />
-      <nuclide ao="0.00476" name="Zr91" />
-      <nuclide ao="0.0072758" name="Zr92" />
-      <nuclide ao="0.0073734" name="Zr94" />
-      <nuclide ao="0.0011879" name="Zr96" />
+      <density units="g/cm3" value="6.55"/>
+      <nuclide ao="0.021827" name="Zr90"/>
+      <nuclide ao="0.00476" name="Zr91"/>
+      <nuclide ao="0.0072758" name="Zr92"/>
+      <nuclide ao="0.0073734" name="Zr94"/>
+      <nuclide ao="0.0011879" name="Zr96"/>
     </material>
     <material id="3" name="Hot borated water">
-      <density units="g/cm3" value="0.740582" />
-      <nuclide ao="0.049457" name="H1" />
-      <nuclide ao="0.024672" name="O16" />
-      <nuclide ao="8.0042e-06" name="B10" />
-      <nuclide ao="3.2218e-05" name="B11" />
-      <sab name="c_H_in_H2O" />
+      <density units="g/cm3" value="0.740582"/>
+      <nuclide ao="0.049457" name="H1"/>
+      <nuclide ao="0.024672" name="O16"/>
+      <nuclide ao="8.0042e-06" name="B10"/>
+      <nuclide ao="3.2218e-05" name="B11"/>
+      <sab name="c_H_in_H2O"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="Fuel" region="-1" universe="0" />
-    <cell id="2" material="2" name="Cladding" region="1 -2" universe="0" />
-    <cell id="3" material="3" name="Water" region="2 3 -4 5 -6" universe="0" />
-    <surface coeffs="0 0 0.39218" id="1" name="Fuel OR" type="z-cylinder" />
-    <surface coeffs="0 0 0.4572" id="2" name="Clad OR" type="z-cylinder" />
-    <surface boundary="reflective" coeffs="-0.63" id="3" name="left" type="x-plane" />
-    <surface boundary="reflective" coeffs="0.63" id="4" name="right" type="x-plane" />
-    <surface boundary="reflective" coeffs="-0.63" id="5" name="bottom" type="y-plane" />
-    <surface boundary="reflective" coeffs="0.63" id="6" name="top" type="y-plane" />
+    <cell id="1" material="1" name="Fuel" region="-1" universe="0"/>
+    <cell id="2" material="2" name="Cladding" region="1 -2" universe="0"/>
+    <cell id="3" material="3" name="Water" region="2 3 -4 5 -6" universe="0"/>
+    <surface coeffs="0 0 0.39218" id="1" name="Fuel OR" type="z-cylinder"/>
+    <surface coeffs="0 0 0.4572" id="2" name="Clad OR" type="z-cylinder"/>
+    <surface boundary="reflective" coeffs="-0.63" id="3" name="left" type="x-plane"/>
+    <surface boundary="reflective" coeffs="0.63" id="4" name="right" type="x-plane"/>
+    <surface boundary="reflective" coeffs="-0.63" id="5" name="bottom" type="y-plane"/>
+    <surface boundary="reflective" coeffs="0.63" id="6" name="top" type="y-plane"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
diff --git a/tests/regression_tests/model_xml/adj_cell_rotation_inputs_true.dat b/tests/regression_tests/model_xml/adj_cell_rotation_inputs_true.dat
index 1c4516f42..48774bb02 100644
--- a/tests/regression_tests/model_xml/adj_cell_rotation_inputs_true.dat
+++ b/tests/regression_tests/model_xml/adj_cell_rotation_inputs_true.dat
@@ -2,27 +2,27 @@
 <model>
   <materials>
     <material depletable="true" id="1">
-      <density units="g/cc" value="10.0" />
-      <nuclide ao="1.0" name="U235" />
+      <density units="g/cc" value="10.0"/>
+      <nuclide ao="1.0" name="U235"/>
     </material>
     <material id="2">
-      <density units="g/cc" value="0.1" />
-      <nuclide ao="0.1" name="H1" />
+      <density units="g/cc" value="0.1"/>
+      <nuclide ao="0.1" name="H1"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" region="-1" universe="1" />
-    <cell id="2" material="2" region="1" universe="1" />
-    <cell fill="1" id="3" region="2 -3 4 -5 6 -8" rotation="10 20 30" universe="2" />
-    <cell fill="1" id="4" region="2 -3 4 -5 8 -7" translation="0 0 15" universe="2" />
-    <surface coeffs="1.0 0.0 0.0 5.0" id="1" type="sphere" />
-    <surface boundary="vacuum" coeffs="-7.5" id="2" name="minimum x" type="x-plane" />
-    <surface boundary="vacuum" coeffs="7.5" id="3" name="maximum x" type="x-plane" />
-    <surface boundary="vacuum" coeffs="-7.5" id="4" name="minimum y" type="y-plane" />
-    <surface boundary="vacuum" coeffs="7.5" id="5" name="maximum y" type="y-plane" />
-    <surface boundary="vacuum" coeffs="-7.5" id="6" type="z-plane" />
-    <surface boundary="vacuum" coeffs="22.5" id="7" type="z-plane" />
-    <surface coeffs="7.5" id="8" type="z-plane" />
+    <cell id="1" material="1" region="-1" universe="1"/>
+    <cell id="2" material="2" region="1" universe="1"/>
+    <cell fill="1" id="3" region="2 -3 4 -5 6 -8" rotation="10 20 30" universe="2"/>
+    <cell fill="1" id="4" region="2 -3 4 -5 8 -7" translation="0 0 15" universe="2"/>
+    <surface coeffs="1.0 0.0 0.0 5.0" id="1" type="sphere"/>
+    <surface boundary="vacuum" coeffs="-7.5" id="2" name="minimum x" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="7.5" id="3" name="maximum x" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="-7.5" id="4" name="minimum y" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="7.5" id="5" name="maximum y" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="-7.5" id="6" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="22.5" id="7" type="z-plane"/>
+    <surface coeffs="7.5" id="8" type="z-plane"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
diff --git a/tests/regression_tests/model_xml/energy_laws_inputs_true.dat b/tests/regression_tests/model_xml/energy_laws_inputs_true.dat
index c89ccc97e..4d8e825d1 100644
--- a/tests/regression_tests/model_xml/energy_laws_inputs_true.dat
+++ b/tests/regression_tests/model_xml/energy_laws_inputs_true.dat
@@ -2,17 +2,17 @@
 <model>
   <materials>
     <material depletable="true" id="1">
-      <density units="g/cm3" value="20.0" />
-      <nuclide ao="1.0" name="U233" />
-      <nuclide ao="1.0" name="Am244" />
-      <nuclide ao="1.0" name="H2" />
-      <nuclide ao="1.0" name="Na23" />
-      <nuclide ao="1.0" name="Ta181" />
+      <density units="g/cm3" value="20.0"/>
+      <nuclide ao="1.0" name="U233"/>
+      <nuclide ao="1.0" name="Am244"/>
+      <nuclide ao="1.0" name="H2"/>
+      <nuclide ao="1.0" name="Na23"/>
+      <nuclide ao="1.0" name="Ta181"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" region="-1" universe="1" />
-    <surface boundary="reflective" coeffs="0.0 0.0 0.0 100.0" id="1" type="sphere" />
+    <cell id="1" material="1" region="-1" universe="1"/>
+    <surface boundary="reflective" coeffs="0.0 0.0 0.0 100.0" id="1" type="sphere"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
diff --git a/tests/regression_tests/model_xml/inputs_true.dat b/tests/regression_tests/model_xml/inputs_true.dat
index c40802631..c1ef13665 100644
--- a/tests/regression_tests/model_xml/inputs_true.dat
+++ b/tests/regression_tests/model_xml/inputs_true.dat
@@ -2,18 +2,18 @@
 <model>
   <materials>
     <material id="6">
-      <density units="g/cm3" value="2.6989" />
-      <nuclide ao="1.0" name="Al27" />
+      <density units="g/cm3" value="2.6989"/>
+      <nuclide ao="1.0" name="Al27"/>
     </material>
   </materials>
   <geometry>
-    <cell id="12" material="void" region="-16 17 -18" universe="10" />
-    <cell id="13" material="6" region="-16 18 -19" universe="10" />
-    <cell id="14" material="void" region="~(-16 17 -19)" universe="10" />
-    <surface id="16" type="x-cylinder" boundary="vacuum" coeffs="0.0 0.0 1.0" />
-    <surface id="17" type="x-plane" boundary="vacuum" coeffs="-1.0" />
-    <surface id="18" type="x-plane" coeffs="1.0" />
-    <surface id="19" type="x-plane" boundary="vacuum" coeffs="1000000000.0" />
+    <cell id="12" material="void" region="-16 17 -18" universe="10"/>
+    <cell id="13" material="6" region="-16 18 -19" universe="10"/>
+    <cell id="14" material="void" region="~(-16 17 -19)" universe="10"/>
+    <surface id="16" type="x-cylinder" boundary="vacuum" coeffs="0.0 0.0 1.0"/>
+    <surface id="17" type="x-plane" boundary="vacuum" coeffs="-1.0"/>
+    <surface id="18" type="x-plane" coeffs="1.0"/>
+    <surface id="19" type="x-plane" boundary="vacuum" coeffs="1000000000.0"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
@@ -23,7 +23,7 @@
       <space type="point">
         <parameters>0 0 0</parameters>
       </space>
-      <angle type="monodirectional" reference_uvw="1.0 0.0 0.0" />
+      <angle type="monodirectional" reference_uvw="1.0 0.0 0.0"/>
       <energy type="discrete">
         <parameters>14000000.0 1.0</parameters>
       </energy>
diff --git a/tests/regression_tests/model_xml/lattice_multiple_inputs_true.dat b/tests/regression_tests/model_xml/lattice_multiple_inputs_true.dat
index 0eed3c201..b249d97c4 100644
--- a/tests/regression_tests/model_xml/lattice_multiple_inputs_true.dat
+++ b/tests/regression_tests/model_xml/lattice_multiple_inputs_true.dat
@@ -2,24 +2,24 @@
 <model>
   <materials>
     <material depletable="true" id="1" name="UO2">
-      <density units="g/cm3" value="10.0" />
-      <nuclide ao="1.0" name="U235" />
-      <nuclide ao="2.0" name="O16" />
+      <density units="g/cm3" value="10.0"/>
+      <nuclide ao="1.0" name="U235"/>
+      <nuclide ao="2.0" name="O16"/>
     </material>
     <material id="2" name="light water">
-      <density units="g/cm3" value="1.0" />
-      <nuclide ao="2.0" name="H1" />
-      <nuclide ao="1.0" name="O16" />
-      <sab name="c_H_in_H2O" />
+      <density units="g/cm3" value="1.0"/>
+      <nuclide ao="2.0" name="H1"/>
+      <nuclide ao="1.0" name="O16"/>
+      <sab name="c_H_in_H2O"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" region="-1" universe="1" />
-    <cell id="2" material="2" region="1" universe="1" />
-    <cell id="3" material="1" region="-2" universe="2" />
-    <cell id="4" material="2" region="2" universe="2" />
-    <cell fill="3" id="5" universe="4" />
-    <cell fill="5" id="6" region="3 -4 5 -6" universe="6" />
+    <cell id="1" material="1" region="-1" universe="1"/>
+    <cell id="2" material="2" region="1" universe="1"/>
+    <cell id="3" material="1" region="-2" universe="2"/>
+    <cell id="4" material="2" region="2" universe="2"/>
+    <cell fill="3" id="5" universe="4"/>
+    <cell fill="5" id="6" region="3 -4 5 -6" universe="6"/>
     <lattice id="3">
       <pitch>1.2 1.2</pitch>
       <outer>1</outer>
@@ -37,12 +37,12 @@
 4 4 
 4 4 </universes>
     </lattice>
-    <surface coeffs="0.0 0.0 0.4" id="1" type="z-cylinder" />
-    <surface coeffs="0.0 0.0 0.5" id="2" type="z-cylinder" />
-    <surface boundary="reflective" coeffs="-2.4" id="3" name="minimum x" type="x-plane" />
-    <surface boundary="reflective" coeffs="2.4" id="4" name="maximum x" type="x-plane" />
-    <surface boundary="reflective" coeffs="-2.4" id="5" name="minimum y" type="y-plane" />
-    <surface boundary="reflective" coeffs="2.4" id="6" name="maximum y" type="y-plane" />
+    <surface coeffs="0.0 0.0 0.4" id="1" type="z-cylinder"/>
+    <surface coeffs="0.0 0.0 0.5" id="2" type="z-cylinder"/>
+    <surface boundary="reflective" coeffs="-2.4" id="3" name="minimum x" type="x-plane"/>
+    <surface boundary="reflective" coeffs="2.4" id="4" name="maximum x" type="x-plane"/>
+    <surface boundary="reflective" coeffs="-2.4" id="5" name="minimum y" type="y-plane"/>
+    <surface boundary="reflective" coeffs="2.4" id="6" name="maximum y" type="y-plane"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
diff --git a/tests/regression_tests/model_xml/photon_production_inputs_true.dat b/tests/regression_tests/model_xml/photon_production_inputs_true.dat
index 0b2b43468..109b54c67 100644
--- a/tests/regression_tests/model_xml/photon_production_inputs_true.dat
+++ b/tests/regression_tests/model_xml/photon_production_inputs_true.dat
@@ -2,18 +2,18 @@
 <model>
   <materials>
     <material id="1">
-      <density units="g/cm3" value="2.6989" />
-      <nuclide ao="1.0" name="Al27" />
+      <density units="g/cm3" value="2.6989"/>
+      <nuclide ao="1.0" name="Al27"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="void" region="-1 2 -3" universe="1" />
-    <cell id="2" material="1" region="-1 3 -4" universe="1" />
-    <cell id="3" material="void" region="~(-1 2 -4)" universe="1" />
-    <surface boundary="vacuum" coeffs="0.0 0.0 1.0" id="1" type="x-cylinder" />
-    <surface boundary="vacuum" coeffs="-1.0" id="2" type="x-plane" />
-    <surface coeffs="1.0" id="3" type="x-plane" />
-    <surface boundary="vacuum" coeffs="1000000000.0" id="4" type="x-plane" />
+    <cell id="1" material="void" region="-1 2 -3" universe="1"/>
+    <cell id="2" material="1" region="-1 3 -4" universe="1"/>
+    <cell id="3" material="void" region="~(-1 2 -4)" universe="1"/>
+    <surface boundary="vacuum" coeffs="0.0 0.0 1.0" id="1" type="x-cylinder"/>
+    <surface boundary="vacuum" coeffs="-1.0" id="2" type="x-plane"/>
+    <surface coeffs="1.0" id="3" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="1000000000.0" id="4" type="x-plane"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
@@ -23,7 +23,7 @@
       <space type="point">
         <parameters>0 0 0</parameters>
       </space>
-      <angle reference_uvw="1.0 0.0 0.0" type="monodirectional" />
+      <angle reference_uvw="1.0 0.0 0.0" type="monodirectional"/>
       <energy type="discrete">
         <parameters>14000000.0 1.0</parameters>
       </energy>
diff --git a/tests/regression_tests/multipole/inputs_true.dat b/tests/regression_tests/multipole/inputs_true.dat
index 3a602b28b..5c905afb9 100644
--- a/tests/regression_tests/multipole/inputs_true.dat
+++ b/tests/regression_tests/multipole/inputs_true.dat
@@ -2,21 +2,21 @@
 <model>
   <materials>
     <material id="1">
-      <density units="g/cc" value="1.0" />
-      <nuclide ao="2.0" name="H1" />
-      <nuclide ao="1.0" name="O16" />
-      <sab name="c_H_in_H2O" />
+      <density units="g/cc" value="1.0"/>
+      <nuclide ao="2.0" name="H1"/>
+      <nuclide ao="1.0" name="O16"/>
+      <sab name="c_H_in_H2O"/>
     </material>
     <material depletable="true" id="2">
-      <density units="g/cc" value="4.5" />
-      <nuclide ao="1.0" name="U235" />
+      <density units="g/cc" value="4.5"/>
+      <nuclide ao="1.0" name="U235"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" universe="1" />
-    <cell id="11" material="2" region="-1" temperature="500 700 0 800" universe="11" />
-    <cell id="12" material="1" region="1" universe="11" />
-    <cell fill="101" id="101" region="2 -3 4 -5" universe="0" />
+    <cell id="1" material="1" universe="1"/>
+    <cell id="11" material="2" region="-1" temperature="500 700 0 800" universe="11"/>
+    <cell id="12" material="1" region="1" universe="11"/>
+    <cell fill="101" id="101" region="2 -3 4 -5" universe="0"/>
     <lattice id="101">
       <pitch>2.0 2.0</pitch>
       <outer>1</outer>
@@ -26,11 +26,11 @@
 11 11 
 11 11 </universes>
     </lattice>
-    <surface coeffs="0.0 0.0 0.3" id="1" type="z-cylinder" />
-    <surface boundary="reflective" coeffs="-3.0" id="2" type="x-plane" />
-    <surface boundary="reflective" coeffs="3.0" id="3" type="x-plane" />
-    <surface boundary="reflective" coeffs="-3.0" id="4" type="y-plane" />
-    <surface boundary="reflective" coeffs="3.0" id="5" type="y-plane" />
+    <surface coeffs="0.0 0.0 0.3" id="1" type="z-cylinder"/>
+    <surface boundary="reflective" coeffs="-3.0" id="2" type="x-plane"/>
+    <surface boundary="reflective" coeffs="3.0" id="3" type="x-plane"/>
+    <surface boundary="reflective" coeffs="-3.0" id="4" type="y-plane"/>
+    <surface boundary="reflective" coeffs="3.0" id="5" type="y-plane"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
diff --git a/tests/regression_tests/ncrystal/inputs_true.dat b/tests/regression_tests/ncrystal/inputs_true.dat
index a609edcae..be2336cf0 100644
--- a/tests/regression_tests/ncrystal/inputs_true.dat
+++ b/tests/regression_tests/ncrystal/inputs_true.dat
@@ -2,15 +2,15 @@
 <model>
   <materials>
     <material cfg="Al_sg225.ncmat" id="1" temperature="293.15">
-      <density units="g/cm3" value="2.6986455176922477" />
-      <nuclide ao="1.0" name="Al27" />
+      <density units="g/cm3" value="2.6986455176922477"/>
+      <nuclide ao="1.0" name="Al27"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" region="-1" universe="1" />
-    <cell id="2" material="void" region="1 -2" universe="1" />
-    <surface coeffs="0.0 0.0 0.0 0.1" id="1" type="sphere" />
-    <surface boundary="vacuum" coeffs="0.0 0.0 0.0 100" id="2" type="sphere" />
+    <cell id="1" material="1" region="-1" universe="1"/>
+    <cell id="2" material="void" region="1 -2" universe="1"/>
+    <surface coeffs="0.0 0.0 0.0 0.1" id="1" type="sphere"/>
+    <surface boundary="vacuum" coeffs="0.0 0.0 0.0 100" id="2" type="sphere"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
@@ -20,7 +20,7 @@
       <space type="point">
         <parameters>0 0 -20</parameters>
       </space>
-      <angle reference_uvw="0.0 0.0 1.0" type="monodirectional" />
+      <angle reference_uvw="0.0 0.0 1.0" type="monodirectional"/>
       <energy type="discrete">
         <parameters>0.012 1.0</parameters>
       </energy>
diff --git a/tests/regression_tests/periodic/inputs_true.dat b/tests/regression_tests/periodic/inputs_true.dat
index 9934e2de0..9d50c2b72 100644
--- a/tests/regression_tests/periodic/inputs_true.dat
+++ b/tests/regression_tests/periodic/inputs_true.dat
@@ -2,26 +2,26 @@
 <model>
   <materials>
     <material id="1">
-      <density units="g/cc" value="1.0" />
-      <nuclide ao="2.0" name="H1" />
-      <nuclide ao="1.0" name="O16" />
-      <sab name="c_H_in_H2O" />
+      <density units="g/cc" value="1.0"/>
+      <nuclide ao="2.0" name="H1"/>
+      <nuclide ao="1.0" name="O16"/>
+      <sab name="c_H_in_H2O"/>
     </material>
     <material depletable="true" id="2">
-      <density units="g/cc" value="4.5" />
-      <nuclide ao="1.0" name="U235" />
+      <density units="g/cc" value="4.5"/>
+      <nuclide ao="1.0" name="U235"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" region="1 -2 3 -4 5 -6 7" universe="0" />
-    <cell id="2" material="2" region="3 5 -6 -7" universe="0" />
-    <surface boundary="periodic" coeffs="0.0" id="1" periodic_surface_id="3" type="x-plane" />
-    <surface boundary="reflective" coeffs="5.0" id="2" type="x-plane" />
-    <surface boundary="periodic" coeffs="0.0" id="3" periodic_surface_id="1" type="y-plane" />
-    <surface boundary="reflective" coeffs="5.0" id="4" type="y-plane" />
-    <surface boundary="periodic" coeffs="-5.0" id="5" type="z-plane" />
-    <surface boundary="periodic" coeffs="0 0 1 5.0" id="6" type="plane" />
-    <surface coeffs="2.5 0.0 2.0" id="7" type="z-cylinder" />
+    <cell id="1" material="1" region="1 -2 3 -4 5 -6 7" universe="0"/>
+    <cell id="2" material="2" region="3 5 -6 -7" universe="0"/>
+    <surface boundary="periodic" coeffs="0.0" id="1" periodic_surface_id="3" type="x-plane"/>
+    <surface boundary="reflective" coeffs="5.0" id="2" type="x-plane"/>
+    <surface boundary="periodic" coeffs="0.0" id="3" periodic_surface_id="1" type="y-plane"/>
+    <surface boundary="reflective" coeffs="5.0" id="4" type="y-plane"/>
+    <surface boundary="periodic" coeffs="-5.0" id="5" type="z-plane"/>
+    <surface boundary="periodic" coeffs="0 0 1 5.0" id="6" type="plane"/>
+    <surface coeffs="2.5 0.0 2.0" id="7" type="z-cylinder"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
diff --git a/tests/regression_tests/periodic_6fold/inputs_true.dat b/tests/regression_tests/periodic_6fold/inputs_true.dat
index 9c2899417..795ce818f 100644
--- a/tests/regression_tests/periodic_6fold/inputs_true.dat
+++ b/tests/regression_tests/periodic_6fold/inputs_true.dat
@@ -2,23 +2,23 @@
 <model>
   <materials>
     <material id="1">
-      <density units="g/cc" value="1.0" />
-      <nuclide ao="2.0" name="H1" />
-      <nuclide ao="1.0" name="O16" />
-      <sab name="c_H_in_H2O" />
+      <density units="g/cc" value="1.0"/>
+      <nuclide ao="2.0" name="H1"/>
+      <nuclide ao="1.0" name="O16"/>
+      <sab name="c_H_in_H2O"/>
     </material>
     <material depletable="true" id="2">
-      <density units="g/cc" value="4.5" />
-      <nuclide ao="1.0" name="U235" />
+      <density units="g/cc" value="4.5"/>
+      <nuclide ao="1.0" name="U235"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" region="1 2 -3 4" universe="0" />
-    <cell id="2" material="2" region="1 2 -4" universe="0" />
-    <surface boundary="periodic" coeffs="0.4999999999999999 0.8660254037844387 0.0 0.0" id="1" type="plane" />
-    <surface boundary="periodic" coeffs="0.4999999999999999 -0.8660254037844387 0.0 0.0" id="2" type="plane" />
-    <surface boundary="reflective" coeffs="5.0" id="3" type="x-plane" />
-    <surface coeffs="2.598076211353316 1.4999999999999998 2.0" id="4" type="z-cylinder" />
+    <cell id="1" material="1" region="1 2 -3 4" universe="0"/>
+    <cell id="2" material="2" region="1 2 -4" universe="0"/>
+    <surface boundary="periodic" coeffs="0.4999999999999999 0.8660254037844387 0.0 0.0" id="1" type="plane"/>
+    <surface boundary="periodic" coeffs="0.4999999999999999 -0.8660254037844387 0.0 0.0" id="2" type="plane"/>
+    <surface boundary="reflective" coeffs="5.0" id="3" type="x-plane"/>
+    <surface coeffs="2.598076211353316 1.4999999999999998 2.0" id="4" type="z-cylinder"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
diff --git a/tests/regression_tests/periodic_hex/inputs_true.dat b/tests/regression_tests/periodic_hex/inputs_true.dat
index f4869fa58..188c8dfa9 100644
--- a/tests/regression_tests/periodic_hex/inputs_true.dat
+++ b/tests/regression_tests/periodic_hex/inputs_true.dat
@@ -2,18 +2,18 @@
 <model>
   <materials>
     <material depletable="true" id="1">
-      <density units="g/cc" value="4.5" />
-      <nuclide ao="1.0" name="U235" />
+      <density units="g/cc" value="4.5"/>
+      <nuclide ao="1.0" name="U235"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" region="-1 2 -3 -4 5 6" universe="1" />
-    <surface boundary="periodic" coeffs="8.660254037844386" id="1" periodic_surface_id="2" type="x-plane" />
-    <surface boundary="periodic" coeffs="-8.660254037844386" id="2" periodic_surface_id="1" type="x-plane" />
-    <surface boundary="periodic" coeffs="0.5773502691896257 1.0 0.0 10.0" id="3" periodic_surface_id="6" type="plane" />
-    <surface boundary="periodic" coeffs="-0.5773502691896257 1.0 0.0 10.0" id="4" periodic_surface_id="5" type="plane" />
-    <surface boundary="periodic" coeffs="-0.5773502691896257 1.0 0.0 -10.0" id="5" periodic_surface_id="4" type="plane" />
-    <surface boundary="periodic" coeffs="0.5773502691896257 1.0 0.0 -10.0" id="6" periodic_surface_id="3" type="plane" />
+    <cell id="1" material="1" region="-1 2 -3 -4 5 6" universe="1"/>
+    <surface boundary="periodic" coeffs="8.660254037844386" id="1" periodic_surface_id="2" type="x-plane"/>
+    <surface boundary="periodic" coeffs="-8.660254037844386" id="2" periodic_surface_id="1" type="x-plane"/>
+    <surface boundary="periodic" coeffs="0.5773502691896257 1.0 0.0 10.0" id="3" periodic_surface_id="6" type="plane"/>
+    <surface boundary="periodic" coeffs="-0.5773502691896257 1.0 0.0 10.0" id="4" periodic_surface_id="5" type="plane"/>
+    <surface boundary="periodic" coeffs="-0.5773502691896257 1.0 0.0 -10.0" id="5" periodic_surface_id="4" type="plane"/>
+    <surface boundary="periodic" coeffs="0.5773502691896257 1.0 0.0 -10.0" id="6" periodic_surface_id="3" type="plane"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
diff --git a/tests/regression_tests/photon_production/inputs_true.dat b/tests/regression_tests/photon_production/inputs_true.dat
index 0b2b43468..109b54c67 100644
--- a/tests/regression_tests/photon_production/inputs_true.dat
+++ b/tests/regression_tests/photon_production/inputs_true.dat
@@ -2,18 +2,18 @@
 <model>
   <materials>
     <material id="1">
-      <density units="g/cm3" value="2.6989" />
-      <nuclide ao="1.0" name="Al27" />
+      <density units="g/cm3" value="2.6989"/>
+      <nuclide ao="1.0" name="Al27"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="void" region="-1 2 -3" universe="1" />
-    <cell id="2" material="1" region="-1 3 -4" universe="1" />
-    <cell id="3" material="void" region="~(-1 2 -4)" universe="1" />
-    <surface boundary="vacuum" coeffs="0.0 0.0 1.0" id="1" type="x-cylinder" />
-    <surface boundary="vacuum" coeffs="-1.0" id="2" type="x-plane" />
-    <surface coeffs="1.0" id="3" type="x-plane" />
-    <surface boundary="vacuum" coeffs="1000000000.0" id="4" type="x-plane" />
+    <cell id="1" material="void" region="-1 2 -3" universe="1"/>
+    <cell id="2" material="1" region="-1 3 -4" universe="1"/>
+    <cell id="3" material="void" region="~(-1 2 -4)" universe="1"/>
+    <surface boundary="vacuum" coeffs="0.0 0.0 1.0" id="1" type="x-cylinder"/>
+    <surface boundary="vacuum" coeffs="-1.0" id="2" type="x-plane"/>
+    <surface coeffs="1.0" id="3" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="1000000000.0" id="4" type="x-plane"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
@@ -23,7 +23,7 @@
       <space type="point">
         <parameters>0 0 0</parameters>
       </space>
-      <angle reference_uvw="1.0 0.0 0.0" type="monodirectional" />
+      <angle reference_uvw="1.0 0.0 0.0" type="monodirectional"/>
       <energy type="discrete">
         <parameters>14000000.0 1.0</parameters>
       </energy>
diff --git a/tests/regression_tests/photon_production_fission/inputs_true.dat b/tests/regression_tests/photon_production_fission/inputs_true.dat
index ea6e9d9ee..6a102cfdc 100644
--- a/tests/regression_tests/photon_production_fission/inputs_true.dat
+++ b/tests/regression_tests/photon_production_fission/inputs_true.dat
@@ -2,13 +2,13 @@
 <model>
   <materials>
     <material depletable="true" id="1">
-      <density units="g/cm3" value="10.0" />
-      <nuclide ao="1.0" name="U235" />
+      <density units="g/cm3" value="10.0"/>
+      <nuclide ao="1.0" name="U235"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" region="-1" universe="1" />
-    <surface boundary="reflective" coeffs="0.0 0.0 0.0 100.0" id="1" type="sphere" />
+    <cell id="1" material="1" region="-1" universe="1"/>
+    <surface boundary="reflective" coeffs="0.0 0.0 0.0 100.0" id="1" type="sphere"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
diff --git a/tests/regression_tests/photon_source/inputs_true.dat b/tests/regression_tests/photon_source/inputs_true.dat
index 4c61b47fc..33ace2c70 100644
--- a/tests/regression_tests/photon_source/inputs_true.dat
+++ b/tests/regression_tests/photon_source/inputs_true.dat
@@ -2,16 +2,16 @@
 <model>
   <materials>
     <material id="1">
-      <density units="g/cm3" value="0.998207" />
-      <nuclide ao="0.11187657362844" name="H1" />
-      <nuclide ao="1.7426371559999997e-05" name="H2" />
-      <nuclide ao="0.8877694078259999" name="O16" />
-      <nuclide ao="0.000336592174" name="O17" />
+      <density units="g/cm3" value="0.998207"/>
+      <nuclide ao="0.11187657362844" name="H1"/>
+      <nuclide ao="1.7426371559999997e-05" name="H2"/>
+      <nuclide ao="0.8877694078259999" name="O16"/>
+      <nuclide ao="0.000336592174" name="O17"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" region="-1" universe="1" />
-    <surface boundary="reflective" coeffs="0.0 0.0 0.0 1000000000.0" id="1" type="sphere" />
+    <cell id="1" material="1" region="-1" universe="1"/>
+    <surface boundary="reflective" coeffs="0.0 0.0 0.0 1000000000.0" id="1" type="sphere"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
@@ -21,7 +21,7 @@
       <space type="point">
         <parameters>0 0 0</parameters>
       </space>
-      <angle type="isotropic" />
+      <angle type="isotropic"/>
       <energy type="discrete">
         <parameters>10000000.0 1.0</parameters>
       </energy>
diff --git a/tests/regression_tests/resonance_scattering/inputs_true.dat b/tests/regression_tests/resonance_scattering/inputs_true.dat
index 7165fa72b..6ab82ba24 100644
--- a/tests/regression_tests/resonance_scattering/inputs_true.dat
+++ b/tests/regression_tests/resonance_scattering/inputs_true.dat
@@ -2,16 +2,16 @@
 <model>
   <materials>
     <material depletable="true" id="1">
-      <density units="g/cc" value="1.0" />
-      <nuclide ao="1.0" name="U238" />
-      <nuclide ao="0.02" name="U235" />
-      <nuclide ao="0.02" name="Pu239" />
-      <nuclide ao="20.0" name="H1" />
+      <density units="g/cc" value="1.0"/>
+      <nuclide ao="1.0" name="U238"/>
+      <nuclide ao="0.02" name="U235"/>
+      <nuclide ao="0.02" name="Pu239"/>
+      <nuclide ao="20.0" name="H1"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" region="-1" universe="0" />
-    <surface boundary="reflective" coeffs="100" id="1" type="x-plane" />
+    <cell id="1" material="1" region="-1" universe="0"/>
+    <surface boundary="reflective" coeffs="100" id="1" type="x-plane"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
diff --git a/tests/regression_tests/salphabeta/inputs_true.dat b/tests/regression_tests/salphabeta/inputs_true.dat
index 31a81b2c8..508624b75 100644
--- a/tests/regression_tests/salphabeta/inputs_true.dat
+++ b/tests/regression_tests/salphabeta/inputs_true.dat
@@ -2,49 +2,49 @@
 <model>
   <materials>
     <material depletable="true" id="1">
-      <density units="g/cc" value="4.5" />
-      <nuclide ao="1.0" name="U235" />
-      <nuclide ao="1.0" name="H1" />
-      <sab fraction="0.5" name="c_H_in_H2O" />
+      <density units="g/cc" value="4.5"/>
+      <nuclide ao="1.0" name="U235"/>
+      <nuclide ao="1.0" name="H1"/>
+      <sab fraction="0.5" name="c_H_in_H2O"/>
     </material>
     <material depletable="true" id="2">
-      <density units="g/cc" value="4.5" />
-      <nuclide ao="1.0" name="U235" />
-      <nuclide ao="1.0" name="C0" />
-      <sab name="c_Graphite" />
+      <density units="g/cc" value="4.5"/>
+      <nuclide ao="1.0" name="U235"/>
+      <nuclide ao="1.0" name="C0"/>
+      <sab name="c_Graphite"/>
     </material>
     <material depletable="true" id="3">
-      <density units="g/cc" value="4.5" />
-      <nuclide ao="1.0" name="U235" />
-      <nuclide ao="1.0" name="Be9" />
-      <nuclide ao="1.0" name="O16" />
-      <sab name="c_Be_in_BeO" />
-      <sab name="c_O_in_BeO" />
+      <density units="g/cc" value="4.5"/>
+      <nuclide ao="1.0" name="U235"/>
+      <nuclide ao="1.0" name="Be9"/>
+      <nuclide ao="1.0" name="O16"/>
+      <sab name="c_Be_in_BeO"/>
+      <sab name="c_O_in_BeO"/>
     </material>
     <material depletable="true" id="4">
-      <density units="g/cm3" value="5.90168" />
-      <nuclide ao="0.3" name="H1" />
-      <nuclide ao="0.15" name="Zr90" />
-      <nuclide ao="0.1" name="Zr91" />
-      <nuclide ao="0.1" name="Zr92" />
-      <nuclide ao="0.05" name="Zr94" />
-      <nuclide ao="0.05" name="Zr96" />
-      <nuclide ao="0.1" name="U235" />
-      <nuclide ao="0.15" name="U238" />
-      <sab name="c_Zr_in_ZrH" />
-      <sab name="c_H_in_ZrH" />
+      <density units="g/cm3" value="5.90168"/>
+      <nuclide ao="0.3" name="H1"/>
+      <nuclide ao="0.15" name="Zr90"/>
+      <nuclide ao="0.1" name="Zr91"/>
+      <nuclide ao="0.1" name="Zr92"/>
+      <nuclide ao="0.05" name="Zr94"/>
+      <nuclide ao="0.05" name="Zr96"/>
+      <nuclide ao="0.1" name="U235"/>
+      <nuclide ao="0.15" name="U238"/>
+      <sab name="c_Zr_in_ZrH"/>
+      <sab name="c_H_in_ZrH"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" region="1 -2" universe="1" />
-    <cell id="2" material="2" region="2 -3" universe="1" />
-    <cell id="3" material="3" region="3 -4" universe="1" />
-    <cell id="4" material="4" region="4 -5" universe="1" />
-    <surface boundary="vacuum" coeffs="-10" id="1" type="x-plane" />
-    <surface coeffs="-5" id="2" type="x-plane" />
-    <surface coeffs="0" id="3" type="x-plane" />
-    <surface coeffs="5" id="4" type="x-plane" />
-    <surface boundary="vacuum" coeffs="10" id="5" type="x-plane" />
+    <cell id="1" material="1" region="1 -2" universe="1"/>
+    <cell id="2" material="2" region="2 -3" universe="1"/>
+    <cell id="3" material="3" region="3 -4" universe="1"/>
+    <cell id="4" material="4" region="4 -5" universe="1"/>
+    <surface boundary="vacuum" coeffs="-10" id="1" type="x-plane"/>
+    <surface coeffs="-5" id="2" type="x-plane"/>
+    <surface coeffs="0" id="3" type="x-plane"/>
+    <surface coeffs="5" id="4" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="10" id="5" type="x-plane"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
diff --git a/tests/regression_tests/score_current/inputs_true.dat b/tests/regression_tests/score_current/inputs_true.dat
index f9c9ba494..9ea8e5e4a 100644
--- a/tests/regression_tests/score_current/inputs_true.dat
+++ b/tests/regression_tests/score_current/inputs_true.dat
@@ -2,27 +2,27 @@
 <model>
   <materials>
     <material depletable="true" id="1">
-      <density units="g/cm3" value="10.0" />
-      <nuclide ao="1.0" name="U235" />
+      <density units="g/cm3" value="10.0"/>
+      <nuclide ao="1.0" name="U235"/>
     </material>
     <material id="2">
-      <density units="g/cm3" value="1.0" />
-      <nuclide ao="1.0" name="Zr90" />
+      <density units="g/cm3" value="1.0"/>
+      <nuclide ao="1.0" name="Zr90"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" region="1 -2 3 -4 10 -9" universe="1" />
-    <cell id="2" material="2" region="~(1 -2 3 -4) (5 -6 7 -8) 10 -9" universe="1" />
-    <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane" />
-    <surface coeffs="5.0" id="2" name="maximum x" type="x-plane" />
-    <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane" />
-    <surface coeffs="5.0" id="4" name="maximum y" type="y-plane" />
-    <surface boundary="reflective" coeffs="-10.0" id="5" name="minimum x" type="x-plane" />
-    <surface boundary="reflective" coeffs="10.0" id="6" name="maximum x" type="x-plane" />
-    <surface boundary="reflective" coeffs="-10.0" id="7" name="minimum y" type="y-plane" />
-    <surface boundary="reflective" coeffs="10.0" id="8" name="maximum y" type="y-plane" />
-    <surface boundary="vacuum" coeffs="10.0" id="9" type="z-plane" />
-    <surface boundary="vacuum" coeffs="-10.0" id="10" type="z-plane" />
+    <cell id="1" material="1" region="1 -2 3 -4 10 -9" universe="1"/>
+    <cell id="2" material="2" region="~(1 -2 3 -4) (5 -6 7 -8) 10 -9" universe="1"/>
+    <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane"/>
+    <surface coeffs="5.0" id="2" name="maximum x" type="x-plane"/>
+    <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane"/>
+    <surface coeffs="5.0" id="4" name="maximum y" type="y-plane"/>
+    <surface boundary="reflective" coeffs="-10.0" id="5" name="minimum x" type="x-plane"/>
+    <surface boundary="reflective" coeffs="10.0" id="6" name="maximum x" type="x-plane"/>
+    <surface boundary="reflective" coeffs="-10.0" id="7" name="minimum y" type="y-plane"/>
+    <surface boundary="reflective" coeffs="10.0" id="8" name="maximum y" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="10.0" id="9" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="-10.0" id="10" type="z-plane"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
diff --git a/tests/regression_tests/source/inputs_true.dat b/tests/regression_tests/source/inputs_true.dat
index adf60c814..460be7077 100644
--- a/tests/regression_tests/source/inputs_true.dat
+++ b/tests/regression_tests/source/inputs_true.dat
@@ -2,13 +2,13 @@
 <model>
   <materials>
     <material depletable="true" id="1" temperature="294">
-      <density units="g/cm3" value="4.5" />
-      <nuclide ao="1.0" name="U235" />
+      <density units="g/cm3" value="4.5"/>
+      <nuclide ao="1.0" name="U235"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" region="-1" universe="0" />
-    <surface boundary="vacuum" coeffs="0.0 0.0 0.0 10.0" id="1" type="sphere" />
+    <cell id="1" material="1" region="-1" universe="0"/>
+    <surface boundary="vacuum" coeffs="0.0 0.0 0.0 10.0" id="1" type="sphere"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
@@ -17,7 +17,7 @@
     <inactive>5</inactive>
     <source strength="0.3">
       <space type="cartesian">
-        <x parameters="-3.0 3.0" type="uniform" />
+        <x parameters="-3.0 3.0" type="uniform"/>
         <y type="discrete">
           <parameters>-4.0 -1.0 3.0 0.2 0.3 0.5</parameters>
         </y>
@@ -29,67 +29,67 @@
         <mu type="discrete">
           <parameters>-1.0 0.0 1.0 0.5 0.25 0.25</parameters>
         </mu>
-        <phi parameters="0.0 6.28318530718" type="uniform" />
+        <phi parameters="0.0 6.28318530718" type="uniform"/>
       </angle>
-      <energy parameters="1289500.0" type="maxwell" />
+      <energy parameters="1289500.0" type="maxwell"/>
     </source>
     <source strength="0.1">
       <space type="box">
         <parameters>-4.0 -4.0 -4.0 4.0 4.0 4.0</parameters>
       </space>
-      <angle reference_uvw="0.0 1.0 0.0" type="monodirectional" />
-      <energy parameters="988000.0 2.249e-06" type="watt" />
+      <angle reference_uvw="0.0 1.0 0.0" type="monodirectional"/>
+      <energy parameters="988000.0 2.249e-06" type="watt"/>
     </source>
     <source strength="0.1">
       <space type="point">
         <parameters>1.2 -2.3 0.781</parameters>
       </space>
-      <angle type="isotropic" />
+      <angle type="isotropic"/>
       <energy interpolation="histogram" type="tabular">
         <parameters>1.0 1.3894954943731377 1.93069772888325 2.6826957952797255 3.72759372031494 5.17947467923121 7.196856730011519 10.0 13.894954943731374 19.306977288832496 26.826957952797247 37.2759372031494 51.7947467923121 71.96856730011518 100.0 138.94954943731375 193.06977288832496 268.26957952797244 372.7593720314938 517.9474679231207 719.6856730011514 1000.0 1389.4954943731375 1930.6977288832495 2682.6957952797247 3727.593720314938 5179.474679231207 7196.856730011514 10000.0 13894.95494373136 19306.977288832495 26826.95795279722 37275.93720314938 51794.74679231213 71968.56730011514 100000.0 138949.5494373136 193069.77288832495 268269.5795279722 372759.3720314938 517947.4679231202 719685.6730011514 1000000.0 1389495.494373136 1930697.7288832497 2682695.7952797217 3727593.720314938 5179474.679231202 7196856.730011513 10000000.0 0.0 2.9086439299358713e-08 5.80533561806147e-08 8.67817193689187e-08 1.1515347785771536e-07 1.4305204600565115e-07 1.7036278261198208e-07 1.9697346200185813e-07 2.227747351856934e-07 2.4766057919761985e-07 2.715287327665956e-07 2.9428111652990295e-07 3.1582423606228735e-07 3.360695660646056e-07 3.549339141332686e-07 3.723397626156721e-07 3.882155871468592e-07 4.024961505584776e-07 4.151227709522976e-07 4.260435628367196e-07 4.3521365033538783e-07 4.4259535159179273e-07 4.4815833361210174e-07 4.5187973690993757e-07 4.5374426944091084e-07 4.5374426944091084e-07 4.5187973690993757e-07 4.4815833361210174e-07 4.4259535159179273e-07 4.352136503353879e-07 4.2604356283671966e-07 4.1512277095229767e-07 4.0249615055847764e-07 3.8821558714685926e-07 3.723397626156722e-07 3.5493391413326864e-07 3.360695660646057e-07 3.158242360622874e-07 2.942811165299031e-07 2.715287327665957e-07 2.4766057919762e-07 2.2277473518569352e-07 1.9697346200185819e-07 1.7036278261198226e-07 1.4305204600565126e-07 1.1515347785771556e-07 8.678171936891881e-08 5.805335618061493e-08 2.9086439299358858e-08 5.559621115282002e-23</parameters>
       </energy>
     </source>
     <source strength="0.1">
       <space origin="1.0 1.0 0.0" type="spherical">
-        <r parameters="2.0 3.0" type="uniform" />
+        <r parameters="2.0 3.0" type="uniform"/>
         <cos_theta type="discrete">
           <parameters>0.7071067811865476 0.0 -0.7071067811865475 0.3 0.4 0.3</parameters>
         </cos_theta>
-        <phi parameters="0.0 6.283185307179586" type="uniform" />
+        <phi parameters="0.0 6.283185307179586" type="uniform"/>
       </space>
-      <angle type="isotropic" />
+      <angle type="isotropic"/>
       <energy interpolation="histogram" type="tabular">
         <parameters>1.0 1.3894954943731377 1.93069772888325 2.6826957952797255 3.72759372031494 5.17947467923121 7.196856730011519 10.0 13.894954943731374 19.306977288832496 26.826957952797247 37.2759372031494 51.7947467923121 71.96856730011518 100.0 138.94954943731375 193.06977288832496 268.26957952797244 372.7593720314938 517.9474679231207 719.6856730011514 1000.0 1389.4954943731375 1930.6977288832495 2682.6957952797247 3727.593720314938 5179.474679231207 7196.856730011514 10000.0 13894.95494373136 19306.977288832495 26826.95795279722 37275.93720314938 51794.74679231213 71968.56730011514 100000.0 138949.5494373136 193069.77288832495 268269.5795279722 372759.3720314938 517947.4679231202 719685.6730011514 1000000.0 1389495.494373136 1930697.7288832497 2682695.7952797217 3727593.720314938 5179474.679231202 7196856.730011513 10000000.0 0.0 2.9086439299358713e-08 5.80533561806147e-08 8.67817193689187e-08 1.1515347785771536e-07 1.4305204600565115e-07 1.7036278261198208e-07 1.9697346200185813e-07 2.227747351856934e-07 2.4766057919761985e-07 2.715287327665956e-07 2.9428111652990295e-07 3.1582423606228735e-07 3.360695660646056e-07 3.549339141332686e-07 3.723397626156721e-07 3.882155871468592e-07 4.024961505584776e-07 4.151227709522976e-07 4.260435628367196e-07 4.3521365033538783e-07 4.4259535159179273e-07 4.4815833361210174e-07 4.5187973690993757e-07 4.5374426944091084e-07 4.5374426944091084e-07 4.5187973690993757e-07 4.4815833361210174e-07 4.4259535159179273e-07 4.352136503353879e-07 4.2604356283671966e-07 4.1512277095229767e-07 4.0249615055847764e-07 3.8821558714685926e-07 3.723397626156722e-07 3.5493391413326864e-07 3.360695660646057e-07 3.158242360622874e-07 2.942811165299031e-07 2.715287327665957e-07 2.4766057919762e-07 2.2277473518569352e-07 1.9697346200185819e-07 1.7036278261198226e-07 1.4305204600565126e-07 1.1515347785771556e-07 8.678171936891881e-08 5.805335618061493e-08 2.9086439299358858e-08 5.559621115282002e-23</parameters>
       </energy>
     </source>
     <source strength="0.1">
       <space origin="1.0 1.0 0.0" type="cylindrical">
-        <r parameters="2.0 3.0" type="uniform" />
-        <phi parameters="0.0 6.283185307179586" type="uniform" />
+        <r parameters="2.0 3.0" type="uniform"/>
+        <phi parameters="0.0 6.283185307179586" type="uniform"/>
         <z interpolation="linear-linear" type="tabular">
           <parameters>-2.0 0.0 2.0 0.2 0.3 0.2</parameters>
         </z>
       </space>
-      <angle type="isotropic" />
+      <angle type="isotropic"/>
       <energy interpolation="histogram" type="tabular">
         <parameters>1.0 1.3894954943731377 1.93069772888325 2.6826957952797255 3.72759372031494 5.17947467923121 7.196856730011519 10.0 13.894954943731374 19.306977288832496 26.826957952797247 37.2759372031494 51.7947467923121 71.96856730011518 100.0 138.94954943731375 193.06977288832496 268.26957952797244 372.7593720314938 517.9474679231207 719.6856730011514 1000.0 1389.4954943731375 1930.6977288832495 2682.6957952797247 3727.593720314938 5179.474679231207 7196.856730011514 10000.0 13894.95494373136 19306.977288832495 26826.95795279722 37275.93720314938 51794.74679231213 71968.56730011514 100000.0 138949.5494373136 193069.77288832495 268269.5795279722 372759.3720314938 517947.4679231202 719685.6730011514 1000000.0 1389495.494373136 1930697.7288832497 2682695.7952797217 3727593.720314938 5179474.679231202 7196856.730011513 10000000.0 0.0 2.9086439299358713e-08 5.80533561806147e-08 8.67817193689187e-08 1.1515347785771536e-07 1.4305204600565115e-07 1.7036278261198208e-07 1.9697346200185813e-07 2.227747351856934e-07 2.4766057919761985e-07 2.715287327665956e-07 2.9428111652990295e-07 3.1582423606228735e-07 3.360695660646056e-07 3.549339141332686e-07 3.723397626156721e-07 3.882155871468592e-07 4.024961505584776e-07 4.151227709522976e-07 4.260435628367196e-07 4.3521365033538783e-07 4.4259535159179273e-07 4.4815833361210174e-07 4.5187973690993757e-07 4.5374426944091084e-07 4.5374426944091084e-07 4.5187973690993757e-07 4.4815833361210174e-07 4.4259535159179273e-07 4.352136503353879e-07 4.2604356283671966e-07 4.1512277095229767e-07 4.0249615055847764e-07 3.8821558714685926e-07 3.723397626156722e-07 3.5493391413326864e-07 3.360695660646057e-07 3.158242360622874e-07 2.942811165299031e-07 2.715287327665957e-07 2.4766057919762e-07 2.2277473518569352e-07 1.9697346200185819e-07 1.7036278261198226e-07 1.4305204600565126e-07 1.1515347785771556e-07 8.678171936891881e-08 5.805335618061493e-08 2.9086439299358858e-08 5.559621115282002e-23</parameters>
       </energy>
     </source>
     <source strength="0.1">
       <space origin="1.0 1.0 0.0" type="cylindrical">
-        <r parameters="2.0 3.0" type="uniform" />
-        <phi parameters="0.0 6.283185307179586" type="uniform" />
+        <r parameters="2.0 3.0" type="uniform"/>
+        <phi parameters="0.0 6.283185307179586" type="uniform"/>
         <z interpolation="linear-linear" type="tabular">
           <parameters>-2.0 0.0 2.0 0.2 0.3 0.2</parameters>
         </z>
       </space>
-      <angle type="isotropic" />
+      <angle type="isotropic"/>
       <energy type="mixture">
         <pair probability="1">
-          <dist parameters="1289500.0" type="maxwell" />
+          <dist parameters="1289500.0" type="maxwell"/>
         </pair>
         <pair probability="2">
-          <dist parameters="988000.0 2.249e-06" type="watt" />
+          <dist parameters="988000.0 2.249e-06" type="watt"/>
         </pair>
         <pair probability="3">
           <dist interpolation="histogram" type="tabular">
@@ -100,19 +100,19 @@
     </source>
     <source strength="0.1">
       <space origin="1.0 1.0 0.0" type="spherical">
-        <r parameters="2.0 3.0 2.0" type="powerlaw" />
+        <r parameters="2.0 3.0 2.0" type="powerlaw"/>
         <cos_theta type="discrete">
           <parameters>0.7071067811865476 0.0 -0.7071067811865475 0.3 0.4 0.3</parameters>
         </cos_theta>
-        <phi parameters="0.0 6.283185307179586" type="uniform" />
+        <phi parameters="0.0 6.283185307179586" type="uniform"/>
       </space>
-      <angle type="isotropic" />
+      <angle type="isotropic"/>
       <energy type="mixture">
         <pair probability="1">
-          <dist parameters="1289500.0" type="maxwell" />
+          <dist parameters="1289500.0" type="maxwell"/>
         </pair>
         <pair probability="2">
-          <dist parameters="988000.0 2.249e-06" type="watt" />
+          <dist parameters="988000.0 2.249e-06" type="watt"/>
         </pair>
         <pair probability="3">
           <dist interpolation="histogram" type="tabular">
@@ -120,23 +120,23 @@
           </dist>
         </pair>
       </energy>
-      <time parameters="2 5" type="uniform" />
+      <time parameters="2 5" type="uniform"/>
     </source>
     <source strength="0.1">
       <space origin="1.0 1.0 0.0" type="cylindrical">
-        <r parameters="2.0 3.0 1.0" type="powerlaw" />
-        <phi parameters="0.0 6.283185307179586" type="uniform" />
+        <r parameters="2.0 3.0 1.0" type="powerlaw"/>
+        <phi parameters="0.0 6.283185307179586" type="uniform"/>
         <z interpolation="linear-linear" type="tabular">
           <parameters>-2.0 0.0 2.0 0.2 0.3 0.2</parameters>
         </z>
       </space>
-      <angle type="isotropic" />
+      <angle type="isotropic"/>
       <energy type="mixture">
         <pair probability="1">
-          <dist parameters="1289500.0" type="maxwell" />
+          <dist parameters="1289500.0" type="maxwell"/>
         </pair>
         <pair probability="2">
-          <dist parameters="988000.0 2.249e-06" type="watt" />
+          <dist parameters="988000.0 2.249e-06" type="watt"/>
         </pair>
         <pair probability="3">
           <dist interpolation="histogram" type="tabular">
@@ -144,7 +144,7 @@
           </dist>
         </pair>
       </energy>
-      <time parameters="2 5" type="uniform" />
+      <time parameters="2 5" type="uniform"/>
     </source>
   </settings>
   </model>
diff --git a/tests/regression_tests/source_dlopen/inputs_true.dat b/tests/regression_tests/source_dlopen/inputs_true.dat
index 1a447ae3d..9d97164ad 100644
--- a/tests/regression_tests/source_dlopen/inputs_true.dat
+++ b/tests/regression_tests/source_dlopen/inputs_true.dat
@@ -2,22 +2,22 @@
 <model>
   <materials>
     <material id="1" name="natural_lead">
-      <density units="g/cm3" value="11.34" />
-      <nuclide ao="0.014" name="Pb204" />
-      <nuclide ao="0.241" name="Pb206" />
-      <nuclide ao="0.221" name="Pb207" />
-      <nuclide ao="0.524" name="Pb208" />
+      <density units="g/cm3" value="11.34"/>
+      <nuclide ao="0.014" name="Pb204"/>
+      <nuclide ao="0.241" name="Pb206"/>
+      <nuclide ao="0.221" name="Pb207"/>
+      <nuclide ao="0.524" name="Pb208"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" region="-1" universe="1" />
-    <surface boundary="vacuum" coeffs="0.0 0.0 0.0 100" id="1" type="sphere" />
+    <cell id="1" material="1" region="-1" universe="1"/>
+    <surface boundary="vacuum" coeffs="0.0 0.0 0.0 100" id="1" type="sphere"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
     <particles>1000</particles>
     <batches>10</batches>
     <inactive>0</inactive>
-    <source library="build/libsource.so" strength="1.0" />
+    <source library="build/libsource.so" strength="1.0"/>
   </settings>
   </model>
diff --git a/tests/regression_tests/source_parameterized_dlopen/inputs_true.dat b/tests/regression_tests/source_parameterized_dlopen/inputs_true.dat
index 208030e2e..689463593 100644
--- a/tests/regression_tests/source_parameterized_dlopen/inputs_true.dat
+++ b/tests/regression_tests/source_parameterized_dlopen/inputs_true.dat
@@ -2,22 +2,22 @@
 <model>
   <materials>
     <material id="1" name="natural_lead">
-      <density units="g/cm3" value="11.34" />
-      <nuclide ao="0.014" name="Pb204" />
-      <nuclide ao="0.241" name="Pb206" />
-      <nuclide ao="0.221" name="Pb207" />
-      <nuclide ao="0.524" name="Pb208" />
+      <density units="g/cm3" value="11.34"/>
+      <nuclide ao="0.014" name="Pb204"/>
+      <nuclide ao="0.241" name="Pb206"/>
+      <nuclide ao="0.221" name="Pb207"/>
+      <nuclide ao="0.524" name="Pb208"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" region="-1" universe="1" />
-    <surface boundary="vacuum" coeffs="0.0 0.0 0.0 100" id="1" type="sphere" />
+    <cell id="1" material="1" region="-1" universe="1"/>
+    <surface boundary="vacuum" coeffs="0.0 0.0 0.0 100" id="1" type="sphere"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
     <particles>1000</particles>
     <batches>10</batches>
     <inactive>0</inactive>
-    <source library="build/libsource.so" parameters="1e3" strength="1.0" />
+    <source library="build/libsource.so" parameters="1e3" strength="1.0"/>
   </settings>
   </model>
diff --git a/tests/regression_tests/surface_source/inputs_true_read.dat b/tests/regression_tests/surface_source/inputs_true_read.dat
index fb843a6d1..14a55f0bf 100644
--- a/tests/regression_tests/surface_source/inputs_true_read.dat
+++ b/tests/regression_tests/surface_source/inputs_true_read.dat
@@ -3,14 +3,14 @@
   <materials>
   </materials>
   <geometry>
-    <cell id="1" material="void" region="-1" universe="1" />
-    <cell id="2" material="void" region="1 -2" universe="1" />
-    <cell id="3" material="void" region="2 -3" universe="1" />
-    <cell id="4" material="void" region="3 -4" universe="1" />
-    <surface coeffs="0.0 0.0 0.0 1.0" id="1" type="sphere" />
-    <surface coeffs="0.0 0.0 0.0 2.0" id="2" type="sphere" />
-    <surface coeffs="0.0 0.0 0.0 2.5" id="3" type="sphere" />
-    <surface boundary="vacuum" coeffs="0.0 0.0 0.0 4.0" id="4" type="sphere" />
+    <cell id="1" material="void" region="-1" universe="1"/>
+    <cell id="2" material="void" region="1 -2" universe="1"/>
+    <cell id="3" material="void" region="2 -3" universe="1"/>
+    <cell id="4" material="void" region="3 -4" universe="1"/>
+    <surface coeffs="0.0 0.0 0.0 1.0" id="1" type="sphere"/>
+    <surface coeffs="0.0 0.0 0.0 2.0" id="2" type="sphere"/>
+    <surface coeffs="0.0 0.0 0.0 2.5" id="3" type="sphere"/>
+    <surface boundary="vacuum" coeffs="0.0 0.0 0.0 4.0" id="4" type="sphere"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
diff --git a/tests/regression_tests/surface_source/inputs_true_write.dat b/tests/regression_tests/surface_source/inputs_true_write.dat
index dbdf22395..4747fcaf4 100644
--- a/tests/regression_tests/surface_source/inputs_true_write.dat
+++ b/tests/regression_tests/surface_source/inputs_true_write.dat
@@ -3,14 +3,14 @@
   <materials>
   </materials>
   <geometry>
-    <cell id="1" material="void" region="-1" universe="1" />
-    <cell id="2" material="void" region="1 -2" universe="1" />
-    <cell id="3" material="void" region="2 -3" universe="1" />
-    <cell id="4" material="void" region="3 -4" universe="1" />
-    <surface coeffs="0.0 0.0 0.0 1.0" id="1" type="sphere" />
-    <surface coeffs="0.0 0.0 0.0 2.0" id="2" type="sphere" />
-    <surface coeffs="0.0 0.0 0.0 2.5" id="3" type="sphere" />
-    <surface boundary="vacuum" coeffs="0.0 0.0 0.0 4.0" id="4" type="sphere" />
+    <cell id="1" material="void" region="-1" universe="1"/>
+    <cell id="2" material="void" region="1 -2" universe="1"/>
+    <cell id="3" material="void" region="2 -3" universe="1"/>
+    <cell id="4" material="void" region="3 -4" universe="1"/>
+    <surface coeffs="0.0 0.0 0.0 1.0" id="1" type="sphere"/>
+    <surface coeffs="0.0 0.0 0.0 2.0" id="2" type="sphere"/>
+    <surface coeffs="0.0 0.0 0.0 2.5" id="3" type="sphere"/>
+    <surface boundary="vacuum" coeffs="0.0 0.0 0.0 4.0" id="4" type="sphere"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
diff --git a/tests/regression_tests/surface_tally/inputs_true.dat b/tests/regression_tests/surface_tally/inputs_true.dat
index 1a8907955..4be5d4e77 100644
--- a/tests/regression_tests/surface_tally/inputs_true.dat
+++ b/tests/regression_tests/surface_tally/inputs_true.dat
@@ -2,27 +2,27 @@
 <model>
   <materials>
     <material depletable="true" id="1" name="UO2 fuel at 2.4% wt enrichment">
-      <density units="g/cc" value="10.0" />
-      <nuclide ao="1.0" name="U238" />
-      <nuclide ao="0.02" name="U235" />
-      <nuclide ao="2.0" name="O16" />
+      <density units="g/cc" value="10.0"/>
+      <nuclide ao="1.0" name="U238"/>
+      <nuclide ao="0.02" name="U235"/>
+      <nuclide ao="2.0" name="O16"/>
     </material>
     <material id="2" name="Borated water">
-      <density units="g/cm3" value="1" />
-      <nuclide ao="0.0001" name="B10" />
-      <nuclide ao="2.0" name="H1" />
-      <nuclide ao="1.0" name="O16" />
+      <density units="g/cm3" value="1"/>
+      <nuclide ao="0.0001" name="B10"/>
+      <nuclide ao="2.0" name="H1"/>
+      <nuclide ao="1.0" name="O16"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="fuel" region="-1" universe="1" />
-    <cell id="2" material="2" name="water" region="1 -3 4 -5" universe="1" />
-    <cell fill="1" id="3" name="root cell" region="2 -3 4 -5" universe="0" />
-    <surface coeffs="0 0 1" id="1" name="Fuel OR" type="z-cylinder" />
-    <surface boundary="vacuum" coeffs="-2" id="2" name="left" type="x-plane" />
-    <surface boundary="reflective" coeffs="2" id="3" name="right" type="x-plane" />
-    <surface boundary="reflective" coeffs="-2" id="4" name="bottom" type="y-plane" />
-    <surface boundary="reflective" coeffs="2" id="5" name="top" type="y-plane" />
+    <cell id="1" material="1" name="fuel" region="-1" universe="1"/>
+    <cell id="2" material="2" name="water" region="1 -3 4 -5" universe="1"/>
+    <cell fill="1" id="3" name="root cell" region="2 -3 4 -5" universe="0"/>
+    <surface coeffs="0 0 1" id="1" name="Fuel OR" type="z-cylinder"/>
+    <surface boundary="vacuum" coeffs="-2" id="2" name="left" type="x-plane"/>
+    <surface boundary="reflective" coeffs="2" id="3" name="right" type="x-plane"/>
+    <surface boundary="reflective" coeffs="-2" id="4" name="bottom" type="y-plane"/>
+    <surface boundary="reflective" coeffs="2" id="5" name="top" type="y-plane"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
diff --git a/tests/regression_tests/tallies/inputs_true.dat b/tests/regression_tests/tallies/inputs_true.dat
index e6725024a..8d2e50af8 100644
--- a/tests/regression_tests/tallies/inputs_true.dat
+++ b/tests/regression_tests/tallies/inputs_true.dat
@@ -2,181 +2,181 @@
 <model>
   <materials>
     <material depletable="true" id="1" name="UOX fuel">
-      <density units="g/cm3" value="10.062" />
-      <nuclide ao="4.9476e-06" name="U234" />
-      <nuclide ao="0.00048218" name="U235" />
-      <nuclide ao="0.021504" name="U238" />
-      <nuclide ao="1.0801e-08" name="Xe135" />
-      <nuclide ao="0.045737" name="O16" />
+      <density units="g/cm3" value="10.062"/>
+      <nuclide ao="4.9476e-06" name="U234"/>
+      <nuclide ao="0.00048218" name="U235"/>
+      <nuclide ao="0.021504" name="U238"/>
+      <nuclide ao="1.0801e-08" name="Xe135"/>
+      <nuclide ao="0.045737" name="O16"/>
     </material>
     <material id="2" name="Zircaloy">
-      <density units="g/cm3" value="5.77" />
-      <nuclide ao="0.5145" name="Zr90" />
-      <nuclide ao="0.1122" name="Zr91" />
-      <nuclide ao="0.1715" name="Zr92" />
-      <nuclide ao="0.1738" name="Zr94" />
-      <nuclide ao="0.028" name="Zr96" />
+      <density units="g/cm3" value="5.77"/>
+      <nuclide ao="0.5145" name="Zr90"/>
+      <nuclide ao="0.1122" name="Zr91"/>
+      <nuclide ao="0.1715" name="Zr92"/>
+      <nuclide ao="0.1738" name="Zr94"/>
+      <nuclide ao="0.028" name="Zr96"/>
     </material>
     <material id="3" name="Cold borated water">
-      <density units="atom/b-cm" value="0.07416" />
-      <nuclide ao="2.0" name="H1" />
-      <nuclide ao="1.0" name="O16" />
-      <nuclide ao="0.000649" name="B10" />
-      <nuclide ao="0.002689" name="B11" />
-      <sab name="c_H_in_H2O" />
+      <density units="atom/b-cm" value="0.07416"/>
+      <nuclide ao="2.0" name="H1"/>
+      <nuclide ao="1.0" name="O16"/>
+      <nuclide ao="0.000649" name="B10"/>
+      <nuclide ao="0.002689" name="B11"/>
+      <sab name="c_H_in_H2O"/>
     </material>
     <material id="4" name="Hot borated water">
-      <density units="atom/b-cm" value="0.06614" />
-      <nuclide ao="2.0" name="H1" />
-      <nuclide ao="1.0" name="O16" />
-      <nuclide ao="0.000649" name="B10" />
-      <nuclide ao="0.002689" name="B11" />
-      <sab name="c_H_in_H2O" />
+      <density units="atom/b-cm" value="0.06614"/>
+      <nuclide ao="2.0" name="H1"/>
+      <nuclide ao="1.0" name="O16"/>
+      <nuclide ao="0.000649" name="B10"/>
+      <nuclide ao="0.002689" name="B11"/>
+      <sab name="c_H_in_H2O"/>
     </material>
     <material id="5" name="Reactor pressure vessel steel">
-      <density units="g/cm3" value="7.9" />
-      <nuclide name="Fe54" wo="0.05437098" />
-      <nuclide name="Fe56" wo="0.88500663" />
-      <nuclide name="Fe57" wo="0.0208008" />
-      <nuclide name="Fe58" wo="0.00282159" />
-      <nuclide name="Ni58" wo="0.0067198" />
-      <nuclide name="Ni60" wo="0.0026776" />
-      <nuclide name="Mn55" wo="0.01" />
-      <nuclide name="Cr52" wo="0.002092475" />
-      <nuclide name="C0" wo="0.0025" />
-      <nuclide name="Cu63" wo="0.0013696" />
+      <density units="g/cm3" value="7.9"/>
+      <nuclide name="Fe54" wo="0.05437098"/>
+      <nuclide name="Fe56" wo="0.88500663"/>
+      <nuclide name="Fe57" wo="0.0208008"/>
+      <nuclide name="Fe58" wo="0.00282159"/>
+      <nuclide name="Ni58" wo="0.0067198"/>
+      <nuclide name="Ni60" wo="0.0026776"/>
+      <nuclide name="Mn55" wo="0.01"/>
+      <nuclide name="Cr52" wo="0.002092475"/>
+      <nuclide name="C0" wo="0.0025"/>
+      <nuclide name="Cu63" wo="0.0013696"/>
     </material>
     <material id="6" name="Lower radial reflector">
-      <density units="g/cm3" value="4.32" />
-      <nuclide name="H1" wo="0.0095661" />
-      <nuclide name="O16" wo="0.0759107" />
-      <nuclide name="B10" wo="3.08409e-05" />
-      <nuclide name="B11" wo="0.000140499" />
-      <nuclide name="Fe54" wo="0.035620772088" />
-      <nuclide name="Fe56" wo="0.579805982228" />
-      <nuclide name="Fe57" wo="0.01362750048" />
-      <nuclide name="Fe58" wo="0.001848545204" />
-      <nuclide name="Ni58" wo="0.055298376566" />
-      <nuclide name="Mn55" wo="0.018287" />
-      <nuclide name="Cr52" wo="0.145407678031" />
-      <sab name="c_H_in_H2O" />
+      <density units="g/cm3" value="4.32"/>
+      <nuclide name="H1" wo="0.0095661"/>
+      <nuclide name="O16" wo="0.0759107"/>
+      <nuclide name="B10" wo="3.08409e-05"/>
+      <nuclide name="B11" wo="0.000140499"/>
+      <nuclide name="Fe54" wo="0.035620772088"/>
+      <nuclide name="Fe56" wo="0.579805982228"/>
+      <nuclide name="Fe57" wo="0.01362750048"/>
+      <nuclide name="Fe58" wo="0.001848545204"/>
+      <nuclide name="Ni58" wo="0.055298376566"/>
+      <nuclide name="Mn55" wo="0.018287"/>
+      <nuclide name="Cr52" wo="0.145407678031"/>
+      <sab name="c_H_in_H2O"/>
     </material>
     <material id="7" name="Upper radial reflector / Top plate region">
-      <density units="g/cm3" value="4.28" />
-      <nuclide name="H1" wo="0.0086117" />
-      <nuclide name="O16" wo="0.0683369" />
-      <nuclide name="B10" wo="2.77638e-05" />
-      <nuclide name="B11" wo="0.000126481" />
-      <nuclide name="Fe54" wo="0.035953677186" />
-      <nuclide name="Fe56" wo="0.585224740891" />
-      <nuclide name="Fe57" wo="0.01375486056" />
-      <nuclide name="Fe58" wo="0.001865821363" />
-      <nuclide name="Ni58" wo="0.055815129186" />
-      <nuclide name="Mn55" wo="0.0184579" />
-      <nuclide name="Cr52" wo="0.146766614995" />
-      <sab name="c_H_in_H2O" />
+      <density units="g/cm3" value="4.28"/>
+      <nuclide name="H1" wo="0.0086117"/>
+      <nuclide name="O16" wo="0.0683369"/>
+      <nuclide name="B10" wo="2.77638e-05"/>
+      <nuclide name="B11" wo="0.000126481"/>
+      <nuclide name="Fe54" wo="0.035953677186"/>
+      <nuclide name="Fe56" wo="0.585224740891"/>
+      <nuclide name="Fe57" wo="0.01375486056"/>
+      <nuclide name="Fe58" wo="0.001865821363"/>
+      <nuclide name="Ni58" wo="0.055815129186"/>
+      <nuclide name="Mn55" wo="0.0184579"/>
+      <nuclide name="Cr52" wo="0.146766614995"/>
+      <sab name="c_H_in_H2O"/>
     </material>
     <material id="8" name="Bottom plate region">
-      <density units="g/cm3" value="7.184" />
-      <nuclide name="H1" wo="0.0011505" />
-      <nuclide name="O16" wo="0.0091296" />
-      <nuclide name="B10" wo="3.70915e-06" />
-      <nuclide name="B11" wo="1.68974e-05" />
-      <nuclide name="Fe54" wo="0.03855611055" />
-      <nuclide name="Fe56" wo="0.627585036425" />
-      <nuclide name="Fe57" wo="0.014750478" />
-      <nuclide name="Fe58" wo="0.002000875025" />
-      <nuclide name="Ni58" wo="0.059855207342" />
-      <nuclide name="Mn55" wo="0.019794" />
-      <nuclide name="Cr52" wo="0.157390026871" />
-      <sab name="c_H_in_H2O" />
+      <density units="g/cm3" value="7.184"/>
+      <nuclide name="H1" wo="0.0011505"/>
+      <nuclide name="O16" wo="0.0091296"/>
+      <nuclide name="B10" wo="3.70915e-06"/>
+      <nuclide name="B11" wo="1.68974e-05"/>
+      <nuclide name="Fe54" wo="0.03855611055"/>
+      <nuclide name="Fe56" wo="0.627585036425"/>
+      <nuclide name="Fe57" wo="0.014750478"/>
+      <nuclide name="Fe58" wo="0.002000875025"/>
+      <nuclide name="Ni58" wo="0.059855207342"/>
+      <nuclide name="Mn55" wo="0.019794"/>
+      <nuclide name="Cr52" wo="0.157390026871"/>
+      <sab name="c_H_in_H2O"/>
     </material>
     <material id="9" name="Bottom nozzle region">
-      <density units="g/cm3" value="2.53" />
-      <nuclide name="H1" wo="0.0245014" />
-      <nuclide name="O16" wo="0.1944274" />
-      <nuclide name="B10" wo="7.89917e-05" />
-      <nuclide name="B11" wo="0.000359854" />
-      <nuclide name="Fe54" wo="0.030411411144" />
-      <nuclide name="Fe56" wo="0.495012237964" />
-      <nuclide name="Fe57" wo="0.01163454624" />
-      <nuclide name="Fe58" wo="0.001578204652" />
-      <nuclide name="Ni58" wo="0.047211231662" />
-      <nuclide name="Mn55" wo="0.0156126" />
-      <nuclide name="Cr52" wo="0.124142524198" />
-      <sab name="c_H_in_H2O" />
+      <density units="g/cm3" value="2.53"/>
+      <nuclide name="H1" wo="0.0245014"/>
+      <nuclide name="O16" wo="0.1944274"/>
+      <nuclide name="B10" wo="7.89917e-05"/>
+      <nuclide name="B11" wo="0.000359854"/>
+      <nuclide name="Fe54" wo="0.030411411144"/>
+      <nuclide name="Fe56" wo="0.495012237964"/>
+      <nuclide name="Fe57" wo="0.01163454624"/>
+      <nuclide name="Fe58" wo="0.001578204652"/>
+      <nuclide name="Ni58" wo="0.047211231662"/>
+      <nuclide name="Mn55" wo="0.0156126"/>
+      <nuclide name="Cr52" wo="0.124142524198"/>
+      <sab name="c_H_in_H2O"/>
     </material>
     <material id="10" name="Top nozzle region">
-      <density units="g/cm3" value="1.746" />
-      <nuclide name="H1" wo="0.035887" />
-      <nuclide name="O16" wo="0.2847761" />
-      <nuclide name="B10" wo="0.000115699" />
-      <nuclide name="B11" wo="0.000527075" />
-      <nuclide name="Fe54" wo="0.02644016154" />
-      <nuclide name="Fe56" wo="0.43037146399" />
-      <nuclide name="Fe57" wo="0.0101152584" />
-      <nuclide name="Fe58" wo="0.00137211607" />
-      <nuclide name="Ni58" wo="0.04104621835" />
-      <nuclide name="Mn55" wo="0.0135739" />
-      <nuclide name="Cr52" wo="0.107931450781" />
-      <sab name="c_H_in_H2O" />
+      <density units="g/cm3" value="1.746"/>
+      <nuclide name="H1" wo="0.035887"/>
+      <nuclide name="O16" wo="0.2847761"/>
+      <nuclide name="B10" wo="0.000115699"/>
+      <nuclide name="B11" wo="0.000527075"/>
+      <nuclide name="Fe54" wo="0.02644016154"/>
+      <nuclide name="Fe56" wo="0.43037146399"/>
+      <nuclide name="Fe57" wo="0.0101152584"/>
+      <nuclide name="Fe58" wo="0.00137211607"/>
+      <nuclide name="Ni58" wo="0.04104621835"/>
+      <nuclide name="Mn55" wo="0.0135739"/>
+      <nuclide name="Cr52" wo="0.107931450781"/>
+      <sab name="c_H_in_H2O"/>
     </material>
     <material id="11" name="Top of fuel assemblies">
-      <density units="g/cm3" value="3.044" />
-      <nuclide name="H1" wo="0.0162913" />
-      <nuclide name="O16" wo="0.1292776" />
-      <nuclide name="B10" wo="5.25228e-05" />
-      <nuclide name="B11" wo="0.000239272" />
-      <nuclide name="Zr90" wo="0.43313403903" />
-      <nuclide name="Zr91" wo="0.09549277374" />
-      <nuclide name="Zr92" wo="0.14759527104" />
-      <nuclide name="Zr94" wo="0.15280552077" />
-      <nuclide name="Zr96" wo="0.02511169542" />
-      <sab name="c_H_in_H2O" />
+      <density units="g/cm3" value="3.044"/>
+      <nuclide name="H1" wo="0.0162913"/>
+      <nuclide name="O16" wo="0.1292776"/>
+      <nuclide name="B10" wo="5.25228e-05"/>
+      <nuclide name="B11" wo="0.000239272"/>
+      <nuclide name="Zr90" wo="0.43313403903"/>
+      <nuclide name="Zr91" wo="0.09549277374"/>
+      <nuclide name="Zr92" wo="0.14759527104"/>
+      <nuclide name="Zr94" wo="0.15280552077"/>
+      <nuclide name="Zr96" wo="0.02511169542"/>
+      <sab name="c_H_in_H2O"/>
     </material>
     <material id="12" name="Bottom of fuel assemblies">
-      <density units="g/cm3" value="1.762" />
-      <nuclide name="H1" wo="0.0292856" />
-      <nuclide name="O16" wo="0.2323919" />
-      <nuclide name="B10" wo="9.44159e-05" />
-      <nuclide name="B11" wo="0.00043012" />
-      <nuclide name="Zr90" wo="0.3741373658" />
-      <nuclide name="Zr91" wo="0.0824858164" />
-      <nuclide name="Zr92" wo="0.1274914944" />
-      <nuclide name="Zr94" wo="0.1319920622" />
-      <nuclide name="Zr96" wo="0.0216912612" />
-      <sab name="c_H_in_H2O" />
+      <density units="g/cm3" value="1.762"/>
+      <nuclide name="H1" wo="0.0292856"/>
+      <nuclide name="O16" wo="0.2323919"/>
+      <nuclide name="B10" wo="9.44159e-05"/>
+      <nuclide name="B11" wo="0.00043012"/>
+      <nuclide name="Zr90" wo="0.3741373658"/>
+      <nuclide name="Zr91" wo="0.0824858164"/>
+      <nuclide name="Zr92" wo="0.1274914944"/>
+      <nuclide name="Zr94" wo="0.1319920622"/>
+      <nuclide name="Zr96" wo="0.0216912612"/>
+      <sab name="c_H_in_H2O"/>
     </material>
   </materials>
   <geometry>
-    <cell fill="200" id="1" region="-6 34 -35" universe="0" />
-    <cell fill="201" id="2" region="-6 35 -36" universe="0" />
-    <cell id="3" material="8" region="-7 31 -32" universe="0" />
-    <cell id="4" material="9" region="-5 32 -33" universe="0" />
-    <cell id="5" material="12" region="-5 33 -34" universe="0" />
-    <cell id="6" material="11" region="-5 36 -37" universe="0" />
-    <cell id="7" material="10" region="-5 37 -38" universe="0" />
-    <cell id="8" material="7" region="-7 38 -39" universe="0" />
-    <cell id="9" material="9" region="6 -7 32 -38" universe="0" />
-    <cell id="10" material="5" region="7 -8 31 -39" universe="0" />
-    <cell id="11" material="6" region="5 -6 32 -34" universe="0" />
-    <cell id="12" material="7" region="5 -6 36 -38" universe="0" />
-    <cell id="21" material="1" region="-1" universe="1" />
-    <cell id="22" material="2" region="1 -2" universe="1" />
-    <cell id="23" material="3" region="2" universe="1" />
-    <cell id="24" material="3" region="-3" universe="2" />
-    <cell id="25" material="2" region="3 -4" universe="2" />
-    <cell id="26" material="3" region="4" universe="2" />
-    <cell id="27" material="1" region="-1" universe="3" />
-    <cell id="28" material="2" region="1 -2" universe="3" />
-    <cell id="29" material="4" region="2" universe="3" />
-    <cell id="30" material="4" region="-3" universe="4" />
-    <cell id="31" material="2" region="3 -4" universe="4" />
-    <cell id="32" material="4" region="4" universe="4" />
-    <cell id="50" material="3" region="34 -35" universe="5" />
-    <cell fill="100" id="60" region="34 -35" universe="6" />
-    <cell id="70" material="4" region="35 -36" universe="7" />
-    <cell fill="101" id="80" region="35 -36" universe="8" />
+    <cell fill="200" id="1" region="-6 34 -35" universe="0"/>
+    <cell fill="201" id="2" region="-6 35 -36" universe="0"/>
+    <cell id="3" material="8" region="-7 31 -32" universe="0"/>
+    <cell id="4" material="9" region="-5 32 -33" universe="0"/>
+    <cell id="5" material="12" region="-5 33 -34" universe="0"/>
+    <cell id="6" material="11" region="-5 36 -37" universe="0"/>
+    <cell id="7" material="10" region="-5 37 -38" universe="0"/>
+    <cell id="8" material="7" region="-7 38 -39" universe="0"/>
+    <cell id="9" material="9" region="6 -7 32 -38" universe="0"/>
+    <cell id="10" material="5" region="7 -8 31 -39" universe="0"/>
+    <cell id="11" material="6" region="5 -6 32 -34" universe="0"/>
+    <cell id="12" material="7" region="5 -6 36 -38" universe="0"/>
+    <cell id="21" material="1" region="-1" universe="1"/>
+    <cell id="22" material="2" region="1 -2" universe="1"/>
+    <cell id="23" material="3" region="2" universe="1"/>
+    <cell id="24" material="3" region="-3" universe="2"/>
+    <cell id="25" material="2" region="3 -4" universe="2"/>
+    <cell id="26" material="3" region="4" universe="2"/>
+    <cell id="27" material="1" region="-1" universe="3"/>
+    <cell id="28" material="2" region="1 -2" universe="3"/>
+    <cell id="29" material="4" region="2" universe="3"/>
+    <cell id="30" material="4" region="-3" universe="4"/>
+    <cell id="31" material="2" region="3 -4" universe="4"/>
+    <cell id="32" material="4" region="4" universe="4"/>
+    <cell id="50" material="3" region="34 -35" universe="5"/>
+    <cell fill="100" id="60" region="34 -35" universe="6"/>
+    <cell id="70" material="4" region="35 -36" universe="7"/>
+    <cell fill="101" id="80" region="35 -36" universe="8"/>
     <lattice id="100" name="Fuel assembly (lower half)">
       <pitch>1.26 1.26</pitch>
       <dimension>17 17</dimension>
@@ -277,23 +277,23 @@
 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 
 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 </universes>
     </lattice>
-    <surface coeffs="0.0 0.0 0.41" id="1" type="z-cylinder" />
-    <surface coeffs="0.0 0.0 0.475" id="2" type="z-cylinder" />
-    <surface coeffs="0.0 0.0 0.56" id="3" type="z-cylinder" />
-    <surface coeffs="0.0 0.0 0.62" id="4" type="z-cylinder" />
-    <surface coeffs="0.0 0.0 187.6" id="5" type="z-cylinder" />
-    <surface coeffs="0.0 0.0 209.0" id="6" type="z-cylinder" />
-    <surface coeffs="0.0 0.0 229.0" id="7" type="z-cylinder" />
-    <surface boundary="vacuum" coeffs="0.0 0.0 249.0" id="8" type="z-cylinder" />
-    <surface boundary="vacuum" coeffs="-229.0" id="31" type="z-plane" />
-    <surface coeffs="-199.0" id="32" type="z-plane" />
-    <surface coeffs="-193.0" id="33" type="z-plane" />
-    <surface coeffs="-183.0" id="34" type="z-plane" />
-    <surface coeffs="0.0" id="35" type="z-plane" />
-    <surface coeffs="183.0" id="36" type="z-plane" />
-    <surface coeffs="203.0" id="37" type="z-plane" />
-    <surface coeffs="215.0" id="38" type="z-plane" />
-    <surface boundary="vacuum" coeffs="223.0" id="39" type="z-plane" />
+    <surface coeffs="0.0 0.0 0.41" id="1" type="z-cylinder"/>
+    <surface coeffs="0.0 0.0 0.475" id="2" type="z-cylinder"/>
+    <surface coeffs="0.0 0.0 0.56" id="3" type="z-cylinder"/>
+    <surface coeffs="0.0 0.0 0.62" id="4" type="z-cylinder"/>
+    <surface coeffs="0.0 0.0 187.6" id="5" type="z-cylinder"/>
+    <surface coeffs="0.0 0.0 209.0" id="6" type="z-cylinder"/>
+    <surface coeffs="0.0 0.0 229.0" id="7" type="z-cylinder"/>
+    <surface boundary="vacuum" coeffs="0.0 0.0 249.0" id="8" type="z-cylinder"/>
+    <surface boundary="vacuum" coeffs="-229.0" id="31" type="z-plane"/>
+    <surface coeffs="-199.0" id="32" type="z-plane"/>
+    <surface coeffs="-193.0" id="33" type="z-plane"/>
+    <surface coeffs="-183.0" id="34" type="z-plane"/>
+    <surface coeffs="0.0" id="35" type="z-plane"/>
+    <surface coeffs="183.0" id="36" type="z-plane"/>
+    <surface coeffs="203.0" id="37" type="z-plane"/>
+    <surface coeffs="215.0" id="38" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="223.0" id="39" type="z-plane"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
diff --git a/tests/regression_tests/tally_aggregation/inputs_true.dat b/tests/regression_tests/tally_aggregation/inputs_true.dat
index bb2dcddc5..9f4f95655 100644
--- a/tests/regression_tests/tally_aggregation/inputs_true.dat
+++ b/tests/regression_tests/tally_aggregation/inputs_true.dat
@@ -2,23 +2,23 @@
 <model>
   <materials>
     <material depletable="true" id="1" name="UO2">
-      <density units="g/cm3" value="10.29769" />
-      <nuclide ao="4.4843e-06" name="U234" />
-      <nuclide ao="0.00055815" name="U235" />
-      <nuclide ao="0.022408" name="U238" />
-      <nuclide ao="0.045829" name="O16" />
+      <density units="g/cm3" value="10.29769"/>
+      <nuclide ao="4.4843e-06" name="U234"/>
+      <nuclide ao="0.00055815" name="U235"/>
+      <nuclide ao="0.022408" name="U238"/>
+      <nuclide ao="0.045829" name="O16"/>
     </material>
     <material id="2" name="light water">
-      <density units="g/cm3" value="1.0" />
-      <nuclide ao="2.0" name="H1" />
-      <nuclide ao="1.0" name="O16" />
-      <sab name="c_H_in_H2O" />
+      <density units="g/cm3" value="1.0"/>
+      <nuclide ao="2.0" name="H1"/>
+      <nuclide ao="1.0" name="O16"/>
+      <sab name="c_H_in_H2O"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" region="-1" universe="1" />
-    <cell id="2" material="2" region="1" universe="1" />
-    <cell fill="2" id="3" region="2 -3 4 -5" universe="3" />
+    <cell id="1" material="1" region="-1" universe="1"/>
+    <cell id="2" material="2" region="1" universe="1"/>
+    <cell fill="2" id="3" region="2 -3 4 -5" universe="3"/>
     <lattice id="2">
       <pitch>1.2 1.2</pitch>
       <outer>1</outer>
@@ -28,11 +28,11 @@
 1 1 
 1 1 </universes>
     </lattice>
-    <surface coeffs="0.0 0.0 0.4" id="1" type="z-cylinder" />
-    <surface boundary="reflective" coeffs="-1.2" id="2" name="minimum x" type="x-plane" />
-    <surface boundary="reflective" coeffs="1.2" id="3" name="maximum x" type="x-plane" />
-    <surface boundary="reflective" coeffs="-1.2" id="4" name="minimum y" type="y-plane" />
-    <surface boundary="reflective" coeffs="1.2" id="5" name="maximum y" type="y-plane" />
+    <surface coeffs="0.0 0.0 0.4" id="1" type="z-cylinder"/>
+    <surface boundary="reflective" coeffs="-1.2" id="2" name="minimum x" type="x-plane"/>
+    <surface boundary="reflective" coeffs="1.2" id="3" name="maximum x" type="x-plane"/>
+    <surface boundary="reflective" coeffs="-1.2" id="4" name="minimum y" type="y-plane"/>
+    <surface boundary="reflective" coeffs="1.2" id="5" name="maximum y" type="y-plane"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
diff --git a/tests/regression_tests/tally_arithmetic/inputs_true.dat b/tests/regression_tests/tally_arithmetic/inputs_true.dat
index 41760f3cf..7669b4d03 100644
--- a/tests/regression_tests/tally_arithmetic/inputs_true.dat
+++ b/tests/regression_tests/tally_arithmetic/inputs_true.dat
@@ -2,23 +2,23 @@
 <model>
   <materials>
     <material depletable="true" id="1">
-      <density units="g/cm3" value="10.0" />
-      <nuclide ao="1.0" name="U234" />
-      <nuclide ao="4.0" name="U235" />
-      <nuclide ao="95.0" name="U238" />
+      <density units="g/cm3" value="10.0"/>
+      <nuclide ao="1.0" name="U234"/>
+      <nuclide ao="4.0" name="U235"/>
+      <nuclide ao="95.0" name="U238"/>
     </material>
     <material id="2" name="light water">
-      <density units="g/cm3" value="1.0" />
-      <nuclide ao="2.0" name="H1" />
-      <nuclide ao="1.0" name="O16" />
-      <sab name="c_H_in_H2O" />
+      <density units="g/cm3" value="1.0"/>
+      <nuclide ao="2.0" name="H1"/>
+      <nuclide ao="1.0" name="O16"/>
+      <sab name="c_H_in_H2O"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" region="-1" universe="1" />
-    <cell id="2" material="2" region="1 -2" universe="1" />
-    <surface coeffs="0.0 0.0 5.0" id="1" type="z-cylinder" />
-    <surface boundary="vacuum" coeffs="0.0 0.0 10.0" id="2" type="z-cylinder" />
+    <cell id="1" material="1" region="-1" universe="1"/>
+    <cell id="2" material="2" region="1 -2" universe="1"/>
+    <surface coeffs="0.0 0.0 5.0" id="1" type="z-cylinder"/>
+    <surface boundary="vacuum" coeffs="0.0 0.0 10.0" id="2" type="z-cylinder"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
diff --git a/tests/regression_tests/tally_slice_merge/inputs_true.dat b/tests/regression_tests/tally_slice_merge/inputs_true.dat
index 5b5731efb..5dff76a68 100644
--- a/tests/regression_tests/tally_slice_merge/inputs_true.dat
+++ b/tests/regression_tests/tally_slice_merge/inputs_true.dat
@@ -2,181 +2,181 @@
 <model>
   <materials>
     <material depletable="true" id="1" name="UOX fuel">
-      <density units="g/cm3" value="10.062" />
-      <nuclide ao="4.9476e-06" name="U234" />
-      <nuclide ao="0.00048218" name="U235" />
-      <nuclide ao="0.021504" name="U238" />
-      <nuclide ao="1.0801e-08" name="Xe135" />
-      <nuclide ao="0.045737" name="O16" />
+      <density units="g/cm3" value="10.062"/>
+      <nuclide ao="4.9476e-06" name="U234"/>
+      <nuclide ao="0.00048218" name="U235"/>
+      <nuclide ao="0.021504" name="U238"/>
+      <nuclide ao="1.0801e-08" name="Xe135"/>
+      <nuclide ao="0.045737" name="O16"/>
     </material>
     <material id="2" name="Zircaloy">
-      <density units="g/cm3" value="5.77" />
-      <nuclide ao="0.5145" name="Zr90" />
-      <nuclide ao="0.1122" name="Zr91" />
-      <nuclide ao="0.1715" name="Zr92" />
-      <nuclide ao="0.1738" name="Zr94" />
-      <nuclide ao="0.028" name="Zr96" />
+      <density units="g/cm3" value="5.77"/>
+      <nuclide ao="0.5145" name="Zr90"/>
+      <nuclide ao="0.1122" name="Zr91"/>
+      <nuclide ao="0.1715" name="Zr92"/>
+      <nuclide ao="0.1738" name="Zr94"/>
+      <nuclide ao="0.028" name="Zr96"/>
     </material>
     <material id="3" name="Cold borated water">
-      <density units="atom/b-cm" value="0.07416" />
-      <nuclide ao="2.0" name="H1" />
-      <nuclide ao="1.0" name="O16" />
-      <nuclide ao="0.000649" name="B10" />
-      <nuclide ao="0.002689" name="B11" />
-      <sab name="c_H_in_H2O" />
+      <density units="atom/b-cm" value="0.07416"/>
+      <nuclide ao="2.0" name="H1"/>
+      <nuclide ao="1.0" name="O16"/>
+      <nuclide ao="0.000649" name="B10"/>
+      <nuclide ao="0.002689" name="B11"/>
+      <sab name="c_H_in_H2O"/>
     </material>
     <material id="4" name="Hot borated water">
-      <density units="atom/b-cm" value="0.06614" />
-      <nuclide ao="2.0" name="H1" />
-      <nuclide ao="1.0" name="O16" />
-      <nuclide ao="0.000649" name="B10" />
-      <nuclide ao="0.002689" name="B11" />
-      <sab name="c_H_in_H2O" />
+      <density units="atom/b-cm" value="0.06614"/>
+      <nuclide ao="2.0" name="H1"/>
+      <nuclide ao="1.0" name="O16"/>
+      <nuclide ao="0.000649" name="B10"/>
+      <nuclide ao="0.002689" name="B11"/>
+      <sab name="c_H_in_H2O"/>
     </material>
     <material id="5" name="Reactor pressure vessel steel">
-      <density units="g/cm3" value="7.9" />
-      <nuclide name="Fe54" wo="0.05437098" />
-      <nuclide name="Fe56" wo="0.88500663" />
-      <nuclide name="Fe57" wo="0.0208008" />
-      <nuclide name="Fe58" wo="0.00282159" />
-      <nuclide name="Ni58" wo="0.0067198" />
-      <nuclide name="Ni60" wo="0.0026776" />
-      <nuclide name="Mn55" wo="0.01" />
-      <nuclide name="Cr52" wo="0.002092475" />
-      <nuclide name="C0" wo="0.0025" />
-      <nuclide name="Cu63" wo="0.0013696" />
+      <density units="g/cm3" value="7.9"/>
+      <nuclide name="Fe54" wo="0.05437098"/>
+      <nuclide name="Fe56" wo="0.88500663"/>
+      <nuclide name="Fe57" wo="0.0208008"/>
+      <nuclide name="Fe58" wo="0.00282159"/>
+      <nuclide name="Ni58" wo="0.0067198"/>
+      <nuclide name="Ni60" wo="0.0026776"/>
+      <nuclide name="Mn55" wo="0.01"/>
+      <nuclide name="Cr52" wo="0.002092475"/>
+      <nuclide name="C0" wo="0.0025"/>
+      <nuclide name="Cu63" wo="0.0013696"/>
     </material>
     <material id="6" name="Lower radial reflector">
-      <density units="g/cm3" value="4.32" />
-      <nuclide name="H1" wo="0.0095661" />
-      <nuclide name="O16" wo="0.0759107" />
-      <nuclide name="B10" wo="3.08409e-05" />
-      <nuclide name="B11" wo="0.000140499" />
-      <nuclide name="Fe54" wo="0.035620772088" />
-      <nuclide name="Fe56" wo="0.579805982228" />
-      <nuclide name="Fe57" wo="0.01362750048" />
-      <nuclide name="Fe58" wo="0.001848545204" />
-      <nuclide name="Ni58" wo="0.055298376566" />
-      <nuclide name="Mn55" wo="0.018287" />
-      <nuclide name="Cr52" wo="0.145407678031" />
-      <sab name="c_H_in_H2O" />
+      <density units="g/cm3" value="4.32"/>
+      <nuclide name="H1" wo="0.0095661"/>
+      <nuclide name="O16" wo="0.0759107"/>
+      <nuclide name="B10" wo="3.08409e-05"/>
+      <nuclide name="B11" wo="0.000140499"/>
+      <nuclide name="Fe54" wo="0.035620772088"/>
+      <nuclide name="Fe56" wo="0.579805982228"/>
+      <nuclide name="Fe57" wo="0.01362750048"/>
+      <nuclide name="Fe58" wo="0.001848545204"/>
+      <nuclide name="Ni58" wo="0.055298376566"/>
+      <nuclide name="Mn55" wo="0.018287"/>
+      <nuclide name="Cr52" wo="0.145407678031"/>
+      <sab name="c_H_in_H2O"/>
     </material>
     <material id="7" name="Upper radial reflector / Top plate region">
-      <density units="g/cm3" value="4.28" />
-      <nuclide name="H1" wo="0.0086117" />
-      <nuclide name="O16" wo="0.0683369" />
-      <nuclide name="B10" wo="2.77638e-05" />
-      <nuclide name="B11" wo="0.000126481" />
-      <nuclide name="Fe54" wo="0.035953677186" />
-      <nuclide name="Fe56" wo="0.585224740891" />
-      <nuclide name="Fe57" wo="0.01375486056" />
-      <nuclide name="Fe58" wo="0.001865821363" />
-      <nuclide name="Ni58" wo="0.055815129186" />
-      <nuclide name="Mn55" wo="0.0184579" />
-      <nuclide name="Cr52" wo="0.146766614995" />
-      <sab name="c_H_in_H2O" />
+      <density units="g/cm3" value="4.28"/>
+      <nuclide name="H1" wo="0.0086117"/>
+      <nuclide name="O16" wo="0.0683369"/>
+      <nuclide name="B10" wo="2.77638e-05"/>
+      <nuclide name="B11" wo="0.000126481"/>
+      <nuclide name="Fe54" wo="0.035953677186"/>
+      <nuclide name="Fe56" wo="0.585224740891"/>
+      <nuclide name="Fe57" wo="0.01375486056"/>
+      <nuclide name="Fe58" wo="0.001865821363"/>
+      <nuclide name="Ni58" wo="0.055815129186"/>
+      <nuclide name="Mn55" wo="0.0184579"/>
+      <nuclide name="Cr52" wo="0.146766614995"/>
+      <sab name="c_H_in_H2O"/>
     </material>
     <material id="8" name="Bottom plate region">
-      <density units="g/cm3" value="7.184" />
-      <nuclide name="H1" wo="0.0011505" />
-      <nuclide name="O16" wo="0.0091296" />
-      <nuclide name="B10" wo="3.70915e-06" />
-      <nuclide name="B11" wo="1.68974e-05" />
-      <nuclide name="Fe54" wo="0.03855611055" />
-      <nuclide name="Fe56" wo="0.627585036425" />
-      <nuclide name="Fe57" wo="0.014750478" />
-      <nuclide name="Fe58" wo="0.002000875025" />
-      <nuclide name="Ni58" wo="0.059855207342" />
-      <nuclide name="Mn55" wo="0.019794" />
-      <nuclide name="Cr52" wo="0.157390026871" />
-      <sab name="c_H_in_H2O" />
+      <density units="g/cm3" value="7.184"/>
+      <nuclide name="H1" wo="0.0011505"/>
+      <nuclide name="O16" wo="0.0091296"/>
+      <nuclide name="B10" wo="3.70915e-06"/>
+      <nuclide name="B11" wo="1.68974e-05"/>
+      <nuclide name="Fe54" wo="0.03855611055"/>
+      <nuclide name="Fe56" wo="0.627585036425"/>
+      <nuclide name="Fe57" wo="0.014750478"/>
+      <nuclide name="Fe58" wo="0.002000875025"/>
+      <nuclide name="Ni58" wo="0.059855207342"/>
+      <nuclide name="Mn55" wo="0.019794"/>
+      <nuclide name="Cr52" wo="0.157390026871"/>
+      <sab name="c_H_in_H2O"/>
     </material>
     <material id="9" name="Bottom nozzle region">
-      <density units="g/cm3" value="2.53" />
-      <nuclide name="H1" wo="0.0245014" />
-      <nuclide name="O16" wo="0.1944274" />
-      <nuclide name="B10" wo="7.89917e-05" />
-      <nuclide name="B11" wo="0.000359854" />
-      <nuclide name="Fe54" wo="0.030411411144" />
-      <nuclide name="Fe56" wo="0.495012237964" />
-      <nuclide name="Fe57" wo="0.01163454624" />
-      <nuclide name="Fe58" wo="0.001578204652" />
-      <nuclide name="Ni58" wo="0.047211231662" />
-      <nuclide name="Mn55" wo="0.0156126" />
-      <nuclide name="Cr52" wo="0.124142524198" />
-      <sab name="c_H_in_H2O" />
+      <density units="g/cm3" value="2.53"/>
+      <nuclide name="H1" wo="0.0245014"/>
+      <nuclide name="O16" wo="0.1944274"/>
+      <nuclide name="B10" wo="7.89917e-05"/>
+      <nuclide name="B11" wo="0.000359854"/>
+      <nuclide name="Fe54" wo="0.030411411144"/>
+      <nuclide name="Fe56" wo="0.495012237964"/>
+      <nuclide name="Fe57" wo="0.01163454624"/>
+      <nuclide name="Fe58" wo="0.001578204652"/>
+      <nuclide name="Ni58" wo="0.047211231662"/>
+      <nuclide name="Mn55" wo="0.0156126"/>
+      <nuclide name="Cr52" wo="0.124142524198"/>
+      <sab name="c_H_in_H2O"/>
     </material>
     <material id="10" name="Top nozzle region">
-      <density units="g/cm3" value="1.746" />
-      <nuclide name="H1" wo="0.035887" />
-      <nuclide name="O16" wo="0.2847761" />
-      <nuclide name="B10" wo="0.000115699" />
-      <nuclide name="B11" wo="0.000527075" />
-      <nuclide name="Fe54" wo="0.02644016154" />
-      <nuclide name="Fe56" wo="0.43037146399" />
-      <nuclide name="Fe57" wo="0.0101152584" />
-      <nuclide name="Fe58" wo="0.00137211607" />
-      <nuclide name="Ni58" wo="0.04104621835" />
-      <nuclide name="Mn55" wo="0.0135739" />
-      <nuclide name="Cr52" wo="0.107931450781" />
-      <sab name="c_H_in_H2O" />
+      <density units="g/cm3" value="1.746"/>
+      <nuclide name="H1" wo="0.035887"/>
+      <nuclide name="O16" wo="0.2847761"/>
+      <nuclide name="B10" wo="0.000115699"/>
+      <nuclide name="B11" wo="0.000527075"/>
+      <nuclide name="Fe54" wo="0.02644016154"/>
+      <nuclide name="Fe56" wo="0.43037146399"/>
+      <nuclide name="Fe57" wo="0.0101152584"/>
+      <nuclide name="Fe58" wo="0.00137211607"/>
+      <nuclide name="Ni58" wo="0.04104621835"/>
+      <nuclide name="Mn55" wo="0.0135739"/>
+      <nuclide name="Cr52" wo="0.107931450781"/>
+      <sab name="c_H_in_H2O"/>
     </material>
     <material id="11" name="Top of fuel assemblies">
-      <density units="g/cm3" value="3.044" />
-      <nuclide name="H1" wo="0.0162913" />
-      <nuclide name="O16" wo="0.1292776" />
-      <nuclide name="B10" wo="5.25228e-05" />
-      <nuclide name="B11" wo="0.000239272" />
-      <nuclide name="Zr90" wo="0.43313403903" />
-      <nuclide name="Zr91" wo="0.09549277374" />
-      <nuclide name="Zr92" wo="0.14759527104" />
-      <nuclide name="Zr94" wo="0.15280552077" />
-      <nuclide name="Zr96" wo="0.02511169542" />
-      <sab name="c_H_in_H2O" />
+      <density units="g/cm3" value="3.044"/>
+      <nuclide name="H1" wo="0.0162913"/>
+      <nuclide name="O16" wo="0.1292776"/>
+      <nuclide name="B10" wo="5.25228e-05"/>
+      <nuclide name="B11" wo="0.000239272"/>
+      <nuclide name="Zr90" wo="0.43313403903"/>
+      <nuclide name="Zr91" wo="0.09549277374"/>
+      <nuclide name="Zr92" wo="0.14759527104"/>
+      <nuclide name="Zr94" wo="0.15280552077"/>
+      <nuclide name="Zr96" wo="0.02511169542"/>
+      <sab name="c_H_in_H2O"/>
     </material>
     <material id="12" name="Bottom of fuel assemblies">
-      <density units="g/cm3" value="1.762" />
-      <nuclide name="H1" wo="0.0292856" />
-      <nuclide name="O16" wo="0.2323919" />
-      <nuclide name="B10" wo="9.44159e-05" />
-      <nuclide name="B11" wo="0.00043012" />
-      <nuclide name="Zr90" wo="0.3741373658" />
-      <nuclide name="Zr91" wo="0.0824858164" />
-      <nuclide name="Zr92" wo="0.1274914944" />
-      <nuclide name="Zr94" wo="0.1319920622" />
-      <nuclide name="Zr96" wo="0.0216912612" />
-      <sab name="c_H_in_H2O" />
+      <density units="g/cm3" value="1.762"/>
+      <nuclide name="H1" wo="0.0292856"/>
+      <nuclide name="O16" wo="0.2323919"/>
+      <nuclide name="B10" wo="9.44159e-05"/>
+      <nuclide name="B11" wo="0.00043012"/>
+      <nuclide name="Zr90" wo="0.3741373658"/>
+      <nuclide name="Zr91" wo="0.0824858164"/>
+      <nuclide name="Zr92" wo="0.1274914944"/>
+      <nuclide name="Zr94" wo="0.1319920622"/>
+      <nuclide name="Zr96" wo="0.0216912612"/>
+      <sab name="c_H_in_H2O"/>
     </material>
   </materials>
   <geometry>
-    <cell fill="200" id="1" region="-6 34 -35" universe="0" />
-    <cell fill="201" id="2" region="-6 35 -36" universe="0" />
-    <cell id="3" material="8" region="-7 31 -32" universe="0" />
-    <cell id="4" material="9" region="-5 32 -33" universe="0" />
-    <cell id="5" material="12" region="-5 33 -34" universe="0" />
-    <cell id="6" material="11" region="-5 36 -37" universe="0" />
-    <cell id="7" material="10" region="-5 37 -38" universe="0" />
-    <cell id="8" material="7" region="-7 38 -39" universe="0" />
-    <cell id="9" material="9" region="6 -7 32 -38" universe="0" />
-    <cell id="10" material="5" region="7 -8 31 -39" universe="0" />
-    <cell id="11" material="6" region="5 -6 32 -34" universe="0" />
-    <cell id="12" material="7" region="5 -6 36 -38" universe="0" />
-    <cell id="21" material="1" region="-1" universe="1" />
-    <cell id="22" material="2" region="1 -2" universe="1" />
-    <cell id="23" material="3" region="2" universe="1" />
-    <cell id="24" material="3" region="-3" universe="2" />
-    <cell id="25" material="2" region="3 -4" universe="2" />
-    <cell id="26" material="3" region="4" universe="2" />
-    <cell id="27" material="1" region="-1" universe="3" />
-    <cell id="28" material="2" region="1 -2" universe="3" />
-    <cell id="29" material="4" region="2" universe="3" />
-    <cell id="30" material="4" region="-3" universe="4" />
-    <cell id="31" material="2" region="3 -4" universe="4" />
-    <cell id="32" material="4" region="4" universe="4" />
-    <cell id="50" material="3" region="34 -35" universe="5" />
-    <cell fill="100" id="60" region="34 -35" universe="6" />
-    <cell id="70" material="4" region="35 -36" universe="7" />
-    <cell fill="101" id="80" region="35 -36" universe="8" />
+    <cell fill="200" id="1" region="-6 34 -35" universe="0"/>
+    <cell fill="201" id="2" region="-6 35 -36" universe="0"/>
+    <cell id="3" material="8" region="-7 31 -32" universe="0"/>
+    <cell id="4" material="9" region="-5 32 -33" universe="0"/>
+    <cell id="5" material="12" region="-5 33 -34" universe="0"/>
+    <cell id="6" material="11" region="-5 36 -37" universe="0"/>
+    <cell id="7" material="10" region="-5 37 -38" universe="0"/>
+    <cell id="8" material="7" region="-7 38 -39" universe="0"/>
+    <cell id="9" material="9" region="6 -7 32 -38" universe="0"/>
+    <cell id="10" material="5" region="7 -8 31 -39" universe="0"/>
+    <cell id="11" material="6" region="5 -6 32 -34" universe="0"/>
+    <cell id="12" material="7" region="5 -6 36 -38" universe="0"/>
+    <cell id="21" material="1" region="-1" universe="1"/>
+    <cell id="22" material="2" region="1 -2" universe="1"/>
+    <cell id="23" material="3" region="2" universe="1"/>
+    <cell id="24" material="3" region="-3" universe="2"/>
+    <cell id="25" material="2" region="3 -4" universe="2"/>
+    <cell id="26" material="3" region="4" universe="2"/>
+    <cell id="27" material="1" region="-1" universe="3"/>
+    <cell id="28" material="2" region="1 -2" universe="3"/>
+    <cell id="29" material="4" region="2" universe="3"/>
+    <cell id="30" material="4" region="-3" universe="4"/>
+    <cell id="31" material="2" region="3 -4" universe="4"/>
+    <cell id="32" material="4" region="4" universe="4"/>
+    <cell id="50" material="3" region="34 -35" universe="5"/>
+    <cell fill="100" id="60" region="34 -35" universe="6"/>
+    <cell id="70" material="4" region="35 -36" universe="7"/>
+    <cell fill="101" id="80" region="35 -36" universe="8"/>
     <lattice id="100" name="Fuel assembly (lower half)">
       <pitch>1.26 1.26</pitch>
       <dimension>17 17</dimension>
@@ -277,23 +277,23 @@
 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 
 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 </universes>
     </lattice>
-    <surface coeffs="0.0 0.0 0.41" id="1" type="z-cylinder" />
-    <surface coeffs="0.0 0.0 0.475" id="2" type="z-cylinder" />
-    <surface coeffs="0.0 0.0 0.56" id="3" type="z-cylinder" />
-    <surface coeffs="0.0 0.0 0.62" id="4" type="z-cylinder" />
-    <surface coeffs="0.0 0.0 187.6" id="5" type="z-cylinder" />
-    <surface coeffs="0.0 0.0 209.0" id="6" type="z-cylinder" />
-    <surface coeffs="0.0 0.0 229.0" id="7" type="z-cylinder" />
-    <surface boundary="vacuum" coeffs="0.0 0.0 249.0" id="8" type="z-cylinder" />
-    <surface boundary="vacuum" coeffs="-229.0" id="31" type="z-plane" />
-    <surface coeffs="-199.0" id="32" type="z-plane" />
-    <surface coeffs="-193.0" id="33" type="z-plane" />
-    <surface coeffs="-183.0" id="34" type="z-plane" />
-    <surface coeffs="0.0" id="35" type="z-plane" />
-    <surface coeffs="183.0" id="36" type="z-plane" />
-    <surface coeffs="203.0" id="37" type="z-plane" />
-    <surface coeffs="215.0" id="38" type="z-plane" />
-    <surface boundary="vacuum" coeffs="223.0" id="39" type="z-plane" />
+    <surface coeffs="0.0 0.0 0.41" id="1" type="z-cylinder"/>
+    <surface coeffs="0.0 0.0 0.475" id="2" type="z-cylinder"/>
+    <surface coeffs="0.0 0.0 0.56" id="3" type="z-cylinder"/>
+    <surface coeffs="0.0 0.0 0.62" id="4" type="z-cylinder"/>
+    <surface coeffs="0.0 0.0 187.6" id="5" type="z-cylinder"/>
+    <surface coeffs="0.0 0.0 209.0" id="6" type="z-cylinder"/>
+    <surface coeffs="0.0 0.0 229.0" id="7" type="z-cylinder"/>
+    <surface boundary="vacuum" coeffs="0.0 0.0 249.0" id="8" type="z-cylinder"/>
+    <surface boundary="vacuum" coeffs="-229.0" id="31" type="z-plane"/>
+    <surface coeffs="-199.0" id="32" type="z-plane"/>
+    <surface coeffs="-193.0" id="33" type="z-plane"/>
+    <surface coeffs="-183.0" id="34" type="z-plane"/>
+    <surface coeffs="0.0" id="35" type="z-plane"/>
+    <surface coeffs="183.0" id="36" type="z-plane"/>
+    <surface coeffs="203.0" id="37" type="z-plane"/>
+    <surface coeffs="215.0" id="38" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="223.0" id="39" type="z-plane"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
diff --git a/tests/regression_tests/torus/inputs_true.dat b/tests/regression_tests/torus/inputs_true.dat
index c4aa2072a..a5c7a8d7a 100644
--- a/tests/regression_tests/torus/inputs_true.dat
+++ b/tests/regression_tests/torus/inputs_true.dat
@@ -2,28 +2,28 @@
 <model>
   <materials>
     <material depletable="true" id="1">
-      <density units="g/cm3" value="12.0" />
-      <nuclide ao="1.0" name="U235" />
+      <density units="g/cm3" value="12.0"/>
+      <nuclide ao="1.0" name="U235"/>
     </material>
     <material id="2">
-      <density units="g/cm3" value="1.0" />
-      <nuclide ao="1.0" name="H1" />
+      <density units="g/cm3" value="1.0"/>
+      <nuclide ao="1.0" name="H1"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" region="-2" universe="1" />
-    <cell id="2" material="1" region="-3" universe="1" />
-    <cell id="3" material="1" region="-1" universe="1" />
-    <cell id="4" material="2" region="-5 4 -7 6 -9 8 2 3 1" universe="1" />
-    <surface coeffs="0.0 0.0 0.0 3 1.5 1" id="1" type="z-torus" />
-    <surface coeffs="6 0.0 0.0 3 1.5 1" id="2" type="x-torus" />
-    <surface coeffs="6 0.0 0.0 6 1 0.75" id="3" type="y-torus" />
-    <surface boundary="vacuum" coeffs="-5" id="4" type="x-plane" />
-    <surface boundary="vacuum" coeffs="14" id="5" type="x-plane" />
-    <surface boundary="vacuum" coeffs="-5" id="6" type="y-plane" />
-    <surface boundary="vacuum" coeffs="5" id="7" type="y-plane" />
-    <surface boundary="vacuum" coeffs="-8" id="8" type="z-plane" />
-    <surface boundary="vacuum" coeffs="8" id="9" type="z-plane" />
+    <cell id="1" material="1" region="-2" universe="1"/>
+    <cell id="2" material="1" region="-3" universe="1"/>
+    <cell id="3" material="1" region="-1" universe="1"/>
+    <cell id="4" material="2" region="-5 4 -7 6 -9 8 2 3 1" universe="1"/>
+    <surface coeffs="0.0 0.0 0.0 3 1.5 1" id="1" type="z-torus"/>
+    <surface coeffs="6 0.0 0.0 3 1.5 1" id="2" type="x-torus"/>
+    <surface coeffs="6 0.0 0.0 6 1 0.75" id="3" type="y-torus"/>
+    <surface boundary="vacuum" coeffs="-5" id="4" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="14" id="5" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="-5" id="6" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="5" id="7" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="-8" id="8" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="8" id="9" type="z-plane"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
diff --git a/tests/regression_tests/torus/large_major/inputs_true.dat b/tests/regression_tests/torus/large_major/inputs_true.dat
index 8e3c9a9e3..44a67b8aa 100644
--- a/tests/regression_tests/torus/large_major/inputs_true.dat
+++ b/tests/regression_tests/torus/large_major/inputs_true.dat
@@ -2,21 +2,21 @@
 <model>
   <materials>
     <material id="1">
-      <density units="g/cm3" value="1.0" />
-      <nuclide ao="1.0" name="W184" />
+      <density units="g/cm3" value="1.0"/>
+      <nuclide ao="1.0" name="W184"/>
     </material>
     <material id="2">
-      <density units="g/cm3" value="5.0" />
-      <nuclide ao="1.0" name="Fe56" />
+      <density units="g/cm3" value="5.0"/>
+      <nuclide ao="1.0" name="Fe56"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="void" region="-1" universe="1" />
-    <cell id="2" material="1" region="1 -2" universe="1" />
-    <cell id="3" material="2" region="2 -3" universe="1" />
-    <surface coeffs="0.0 0.0 0.0 1000.0 30.0 30.0" id="1" type="z-torus" />
-    <surface coeffs="0.0 0.0 0.0 1000.0 35.0 35.0" id="2" type="z-torus" />
-    <surface boundary="vacuum" coeffs="0.0 0.0 0.0 1000.0 40.0 40.0" id="3" type="z-torus" />
+    <cell id="1" material="void" region="-1" universe="1"/>
+    <cell id="2" material="1" region="1 -2" universe="1"/>
+    <cell id="3" material="2" region="2 -3" universe="1"/>
+    <surface coeffs="0.0 0.0 0.0 1000.0 30.0 30.0" id="1" type="z-torus"/>
+    <surface coeffs="0.0 0.0 0.0 1000.0 35.0 35.0" id="2" type="z-torus"/>
+    <surface boundary="vacuum" coeffs="0.0 0.0 0.0 1000.0 40.0 40.0" id="3" type="z-torus"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
diff --git a/tests/regression_tests/trigger_statepoint_restart/inputs_true.dat b/tests/regression_tests/trigger_statepoint_restart/inputs_true.dat
index d30f24fc0..6f0b629eb 100644
--- a/tests/regression_tests/trigger_statepoint_restart/inputs_true.dat
+++ b/tests/regression_tests/trigger_statepoint_restart/inputs_true.dat
@@ -2,13 +2,13 @@
 <model>
   <materials>
     <material depletable="true" id="1">
-      <density units="g/cm3" value="4.5" />
-      <nuclide ao="1.0" name="U235" />
+      <density units="g/cm3" value="4.5"/>
+      <nuclide ao="1.0" name="U235"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" region="-1" universe="1" />
-    <surface boundary="vacuum" coeffs="0.0 0.0 0.0 10.0" id="1" type="sphere" />
+    <cell id="1" material="1" region="-1" universe="1"/>
+    <surface boundary="vacuum" coeffs="0.0 0.0 0.0 10.0" id="1" type="sphere"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
diff --git a/tests/regression_tests/triso/inputs_true.dat b/tests/regression_tests/triso/inputs_true.dat
index c43483884..606f05f14 100644
--- a/tests/regression_tests/triso/inputs_true.dat
+++ b/tests/regression_tests/triso/inputs_true.dat
@@ -2,239 +2,239 @@
 <model>
   <materials>
     <material depletable="true" id="1">
-      <density units="g/cm3" value="10.5" />
-      <nuclide ao="0.14154" name="U235" />
-      <nuclide ao="0.85846" name="U238" />
-      <nuclide ao="0.5" name="C0" />
-      <nuclide ao="1.5" name="O16" />
+      <density units="g/cm3" value="10.5"/>
+      <nuclide ao="0.14154" name="U235"/>
+      <nuclide ao="0.85846" name="U238"/>
+      <nuclide ao="0.5" name="C0"/>
+      <nuclide ao="1.5" name="O16"/>
     </material>
     <material id="2">
-      <density units="g/cm3" value="1.0" />
-      <nuclide ao="1.0" name="C0" />
-      <sab name="c_Graphite" />
+      <density units="g/cm3" value="1.0"/>
+      <nuclide ao="1.0" name="C0"/>
+      <sab name="c_Graphite"/>
     </material>
     <material id="3">
-      <density units="g/cm3" value="1.9" />
-      <nuclide ao="1.0" name="C0" />
-      <sab name="c_Graphite" />
+      <density units="g/cm3" value="1.9"/>
+      <nuclide ao="1.0" name="C0"/>
+      <sab name="c_Graphite"/>
     </material>
     <material id="4">
-      <density units="g/cm3" value="3.2" />
-      <nuclide ao="1.0" name="C0" />
-      <nuclide ao="0.9222968" name="Si28" />
-      <nuclide ao="0.0468316" name="Si29" />
-      <nuclide ao="0.0308716" name="Si30" />
+      <density units="g/cm3" value="3.2"/>
+      <nuclide ao="1.0" name="C0"/>
+      <nuclide ao="0.9222968" name="Si28"/>
+      <nuclide ao="0.0468316" name="Si29"/>
+      <nuclide ao="0.0308716" name="Si30"/>
     </material>
     <material id="5">
-      <density units="g/cm3" value="1.87" />
-      <nuclide ao="1.0" name="C0" />
-      <sab name="c_Graphite" />
+      <density units="g/cm3" value="1.87"/>
+      <nuclide ao="1.0" name="C0"/>
+      <sab name="c_Graphite"/>
     </material>
     <material id="6">
-      <density units="g/cm3" value="1.1995" />
-      <nuclide ao="1.0" name="C0" />
-      <sab name="c_Graphite" />
+      <density units="g/cm3" value="1.1995"/>
+      <nuclide ao="1.0" name="C0"/>
+      <sab name="c_Graphite"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" region="-1" universe="1" />
-    <cell id="2" material="2" region="1 -2" universe="1" />
-    <cell id="3" material="3" region="2 -3" universe="1" />
-    <cell id="4" material="4" region="3 -4" universe="1" />
-    <cell id="5" material="5" region="4" universe="1" />
-    <cell fill="2" id="6" region="5 -6 7 -8 9 -10" universe="0" />
-    <cell fill="1" id="107" region="-111" translation="-0.0014062011817633224 -0.015257747167296776 -0.09184766966024316" universe="27" />
-    <cell fill="1" id="108" region="-112" translation="0.10909902639777394 -0.004179177767328068 -0.046240930185910245" universe="15" />
-    <cell fill="1" id="109" region="-113" translation="0.13878336652768952 -0.06900710536877097 -0.03848821497485455" universe="10" />
-    <cell fill="1" id="110" region="-114" translation="-0.19454996680564374 -0.06900710536877097 -0.03848821497485455" universe="11" />
-    <cell fill="1" id="111" region="-115" translation="-0.09846455191076986 -0.02594038069469251 -0.06155174933292362" universe="18" />
-    <cell fill="1" id="112" region="-116" translation="-0.09321591784308736 -0.12248857482372477 -0.04999802384282931" universe="14" />
-    <cell fill="1" id="113" region="-117" translation="0.2028198996079864 0.08501514690643278 0.07431198844628262" universe="22" />
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+    <surface coeffs="0.07991907014916044 -0.19737570756346412 -0.09622087197472673 0.04225" id="189" type="sphere"/>
+    <surface coeffs="0.06943697893246592 0.16968387178879557 0.11988276699391809 0.04225" id="190" type="sphere"/>
+    <surface coeffs="0.06943697893246592 -0.1636494615445378 0.11988276699391809 0.04225" id="191" type="sphere"/>
+    <surface coeffs="-0.07059889277962383 0.1489570802132021 0.09503214710980579 0.04225" id="192" type="sphere"/>
+    <surface coeffs="-0.07059889277962383 -0.18437625312013128 0.09503214710980579 0.04225" id="193" type="sphere"/>
+    <surface coeffs="0.010468267263955 0.15608028424842002 -0.00511339431390323 0.04225" id="194" type="sphere"/>
+    <surface coeffs="0.010468267263955 -0.17725304908491335 -0.00511339431390323 0.04225" id="195" type="sphere"/>
+    <surface coeffs="0.15972123417512762 0.06883522628651784 -0.11009587369358387 0.04225" id="196" type="sphere"/>
+    <surface coeffs="-0.17361209915820575 0.06883522628651784 -0.11009587369358387 0.04225" id="197" type="sphere"/>
+    <surface coeffs="0.08981179676970563 0.06434186205946246 0.032607233968534766 0.04225" id="198" type="sphere"/>
+    <surface coeffs="0.0033702311569031584 0.10040789537086448 0.1867831868031803 0.04225" id="199" type="sphere"/>
+    <surface coeffs="0.0033702311569031584 0.10040789537086448 -0.14655014653015297 0.04225" id="200" type="sphere"/>
+    <surface coeffs="0.05329895281727448 -0.02881629065525937 0.15193411713913396 0.04225" id="201" type="sphere"/>
+    <surface coeffs="0.05329895281727448 -0.02881629065525937 -0.1813992161941993 0.04225" id="202" type="sphere"/>
+    <surface coeffs="0.14663786554095865 -0.0001831711922081758 0.173437280372308 0.04225" id="203" type="sphere"/>
+    <surface coeffs="-0.18669546779237473 -0.0001831711922081758 0.173437280372308 0.04225" id="204" type="sphere"/>
+    <surface coeffs="0.14663786554095865 -0.0001831711922081758 -0.15989605296102538 0.04225" id="205" type="sphere"/>
+    <surface coeffs="-0.18669546779237473 -0.0001831711922081758 -0.15989605296102538 0.04225" id="206" type="sphere"/>
+    <surface coeffs="0.006886156712931468 0.0325721225173089 -0.10785254014381473 0.04225" id="207" type="sphere"/>
+    <surface coeffs="0.05946426530734861 0.17562994884896627 0.11256068342977466 0.04225" id="208" type="sphere"/>
+    <surface coeffs="0.05946426530734861 -0.1577033844843671 0.11256068342977466 0.04225" id="209" type="sphere"/>
+    <surface coeffs="-0.0745211393530899 0.18602539894086317 0.07061211191996841 0.04225" id="210" type="sphere"/>
+    <surface coeffs="-0.0745211393530899 -0.1473079343924702 0.07061211191996841 0.04225" id="211" type="sphere"/>
+    <surface coeffs="0.15971361633210523 -0.02416800360737892 0.062334297185282495 0.04225" id="212" type="sphere"/>
+    <surface coeffs="-0.17361971700122802 -0.02416800360737892 0.062334297185282495 0.04225" id="213" type="sphere"/>
+    <surface coeffs="-0.014191419448261688 0.11114945107218455 0.0903966514577691 0.04225" id="214" type="sphere"/>
+    <surface coeffs="0.20641337800388493 -0.04689191572037532 0.03093832014609521 0.04225" id="215" type="sphere"/>
+    <surface coeffs="-0.12691995532944833 -0.04689191572037532 0.03093832014609521 0.04225" id="216" type="sphere"/>
+    <surface coeffs="0.042925982468302815 0.0705557158479822 -0.09611246805643225 0.04225" id="217" type="sphere"/>
+    <surface coeffs="0.09174118398607445 -0.02102680816462299 -0.12074712654412828 0.04225" id="218" type="sphere"/>
+    <surface coeffs="0.1871144659776534 0.14219092895822716 0.0030395151604761805 0.04225" id="219" type="sphere"/>
+    <surface coeffs="-0.14621886735567996 0.14219092895822716 0.0030395151604761805 0.04225" id="220" type="sphere"/>
+    <surface coeffs="0.1871144659776534 -0.1911424043751062 0.0030395151604761805 0.04225" id="221" type="sphere"/>
+    <surface coeffs="-0.14621886735567996 -0.1911424043751062 0.0030395151604761805 0.04225" id="222" type="sphere"/>
+    <surface coeffs="-0.08858601205119498 -0.05740809172565153 0.0018937978357634888 0.04225" id="223" type="sphere"/>
+    <surface coeffs="-0.06956272452538859 -0.03258611645335985 0.1876749617320655 0.04225" id="224" type="sphere"/>
+    <surface coeffs="-0.06956272452538859 -0.03258611645335985 -0.14565837160126788 0.04225" id="225" type="sphere"/>
+    <surface coeffs="0.06480048668590577 0.08039356693483157 -0.0495807099830502 0.04225" id="226" type="sphere"/>
+    <surface coeffs="0.11976882848311299 0.024414887718198774 0.059001075831400684 0.04225" id="227" type="sphere"/>
+    <surface coeffs="0.055815690196973966 -0.03866224334773988 0.12934415570493119 0.04225" id="228" type="sphere"/>
+    <surface coeffs="0.055815690196973966 -0.03866224334773988 -0.20398917762840219 0.04225" id="229" type="sphere"/>
+    <surface coeffs="-0.07057140884385227 -0.033261585924167725 -0.11308117958912334 0.04225" id="230" type="sphere"/>
+    <surface coeffs="0.0191891610992464 -0.08777511864372084 0.09496767886953814 0.04225" id="231" type="sphere"/>
+    <surface coeffs="0.11357577214048964 -0.07231206070759028 -0.01862315233444045 0.04225" id="232" type="sphere"/>
+    <surface coeffs="0.028822870329182626 0.09660360434040871 -0.10994545899370212 0.04225" id="233" type="sphere"/>
+    <surface coeffs="-0.030272006016200004 0.04272149160139638 -0.11143715881676097 0.04225" id="234" type="sphere"/>
+    <surface coeffs="0.09719339210824351 0.04131007428864286 0.14476192535372884 0.04225" id="235" type="sphere"/>
+    <surface coeffs="0.09719339210824351 0.04131007428864286 -0.18857140797960453 0.04225" id="236" type="sphere"/>
+    <surface coeffs="0.1075803128789849 -0.02104725713738881 -0.03274843538002781 0.04225" id="237" type="sphere"/>
+    <surface coeffs="0.1392019576325615 -0.08814436128642017 -0.11479828495132216 0.04225" id="238" type="sphere"/>
+    <surface coeffs="-0.19413137570077177 -0.08814436128642017 -0.11479828495132216 0.04225" id="239" type="sphere"/>
+    <surface coeffs="0.10847197677361597 0.1461592302081176 0.08841042383901798 0.04225" id="240" type="sphere"/>
+    <surface coeffs="0.10847197677361597 -0.18717410312521576 0.08841042383901798 0.04225" id="241" type="sphere"/>
+    <surface coeffs="0.045127058382085194 0.0967807216119615 0.0967653665331849 0.04225" id="242" type="sphere"/>
+    <surface coeffs="-0.022464471745497094 0.07259277205138148 0.10785219865057927 0.04225" id="243" type="sphere"/>
+    <surface coeffs="0.10606353369903221 0.03928703229725711 0.17228776926768086 0.04225" id="244" type="sphere"/>
+    <surface coeffs="0.10606353369903221 0.03928703229725711 -0.1610455640656524 0.04225" id="245" type="sphere"/>
+    <surface coeffs="0.14815941963538226 0.11277655887534538 0.03808687169681996 0.04225" id="246" type="sphere"/>
+    <surface coeffs="-0.185173913697951 0.11277655887534538 0.03808687169681996 0.04225" id="247" type="sphere"/>
+    <surface coeffs="0.15693581669068946 0.10114531834923532 -0.04992356195780889 0.04225" id="248" type="sphere"/>
+    <surface coeffs="-0.17639751664264391 0.10114531834923532 -0.04992356195780889 0.04225" id="249" type="sphere"/>
+    <surface coeffs="0.13264357875679378 0.10919805128102966 -0.04769549879176793 0.04225" id="250" type="sphere"/>
+    <surface coeffs="-0.2006897545765396 0.10919805128102966 -0.04769549879176793 0.04225" id="251" type="sphere"/>
+    <surface coeffs="0.13916564434634993 0.13134319648704007 0.07015912178562622 0.04225" id="252" type="sphere"/>
+    <surface coeffs="-0.19416768898698333 0.13134319648704007 0.07015912178562622 0.04225" id="253" type="sphere"/>
+    <surface coeffs="0.13916564434634993 -0.2019901368462932 0.07015912178562622 0.04225" id="254" type="sphere"/>
+    <surface coeffs="-0.19416768898698333 -0.2019901368462932 0.07015912178562622 0.04225" id="255" type="sphere"/>
+    <surface coeffs="-0.10026688643231585 0.1564443552698941 0.1751728484794038 0.04225" id="256" type="sphere"/>
+    <surface coeffs="-0.10026688643231585 -0.17688897806343928 0.1751728484794038 0.04225" id="257" type="sphere"/>
+    <surface coeffs="-0.10026688643231585 0.1564443552698941 -0.15816048485392958 0.04225" id="258" type="sphere"/>
+    <surface coeffs="-0.10026688643231585 -0.17688897806343928 -0.15816048485392958 0.04225" id="259" type="sphere"/>
+    <surface coeffs="0.16555436030710213 -0.015531455219433332 0.02691614144169241 0.04225" id="260" type="sphere"/>
+    <surface coeffs="-0.16777897302623124 -0.015531455219433332 0.02691614144169241 0.04225" id="261" type="sphere"/>
+    <surface coeffs="0.152805274648522 0.18166556620660584 0.040488366683789634 0.04225" id="262" type="sphere"/>
+    <surface coeffs="-0.18052805868481137 0.18166556620660584 0.040488366683789634 0.04225" id="263" type="sphere"/>
+    <surface coeffs="0.152805274648522 -0.15166776712672753 0.040488366683789634 0.04225" id="264" type="sphere"/>
+    <surface coeffs="-0.18052805868481137 -0.15166776712672753 0.040488366683789634 0.04225" id="265" type="sphere"/>
+    <surface coeffs="0.07231116694829032 0.08785370537091952 0.09997055589943346 0.04225" id="266" type="sphere"/>
+    <surface coeffs="-0.10576424362412257 0.09874497232579027 -0.05820080940738992 0.04225" id="267" type="sphere"/>
+    <surface coeffs="0.046877953125145755 -0.059492732184222796 -0.055635341857650844 0.04225" id="268" type="sphere"/>
+    <surface coeffs="0.1239423066569788 0.14183046274229005 -0.06583818749209458 0.04225" id="269" type="sphere"/>
+    <surface coeffs="0.1239423066569788 -0.19150287059104332 -0.06583818749209458 0.04225" id="270" type="sphere"/>
+    <surface coeffs="0.0013087859341976982 -0.06327594480884835 -0.05382522074205143 0.04225" id="271" type="sphere"/>
+    <surface coeffs="0.11058883669906516 -0.038954175820645864 0.16834558789033005 0.04225" id="272" type="sphere"/>
+    <surface coeffs="0.11058883669906516 -0.038954175820645864 -0.16498774544300332 0.04225" id="273" type="sphere"/>
+    <surface coeffs="-0.02657010065724863 0.013144978841080679 0.050587944514051575 0.04225" id="274" type="sphere"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true.dat b/tests/regression_tests/unstructured_mesh/inputs_true.dat
index dba721d7e..55fdf825b 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true.dat
@@ -2,45 +2,45 @@
 <model>
   <materials>
     <material depletable="true" id="1" name="fuel">
-      <density units="g/cc" value="4.5" />
-      <nuclide ao="1.0" name="U235" />
+      <density units="g/cc" value="4.5"/>
+      <nuclide ao="1.0" name="U235"/>
     </material>
     <material id="2" name="zircaloy">
-      <density units="g/cc" value="5.77" />
-      <nuclide ao="0.5145" name="Zr90" />
-      <nuclide ao="0.1122" name="Zr91" />
-      <nuclide ao="0.1715" name="Zr92" />
-      <nuclide ao="0.1738" name="Zr94" />
-      <nuclide ao="0.028" name="Zr96" />
+      <density units="g/cc" value="5.77"/>
+      <nuclide ao="0.5145" name="Zr90"/>
+      <nuclide ao="0.1122" name="Zr91"/>
+      <nuclide ao="0.1715" name="Zr92"/>
+      <nuclide ao="0.1738" name="Zr94"/>
+      <nuclide ao="0.028" name="Zr96"/>
     </material>
     <material id="3" name="water">
-      <density units="atom/b-cm" value="0.07416" />
-      <nuclide ao="2.0" name="H1" />
-      <nuclide ao="1.0" name="O16" />
+      <density units="atom/b-cm" value="0.07416"/>
+      <nuclide ao="2.0" name="H1"/>
+      <nuclide ao="1.0" name="O16"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="fuel" region="1 -2 3 -4 5 -6" universe="1" />
-    <cell id="2" material="2" name="clad" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1" />
-    <cell id="3" material="3" name="water" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1" />
-    <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane" />
-    <surface coeffs="5.0" id="2" name="maximum x" type="x-plane" />
-    <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane" />
-    <surface coeffs="5.0" id="4" name="maximum y" type="y-plane" />
-    <surface coeffs="-5.0" id="5" name="minimum z" type="z-plane" />
-    <surface coeffs="5.0" id="6" name="maximum z" type="z-plane" />
-    <surface coeffs="-6.0" id="7" name="minimum x" type="x-plane" />
-    <surface coeffs="6.0" id="8" name="maximum x" type="x-plane" />
-    <surface coeffs="-6.0" id="9" name="minimum y" type="y-plane" />
-    <surface coeffs="6.0" id="10" name="maximum y" type="y-plane" />
-    <surface coeffs="-6.0" id="11" name="minimum z" type="z-plane" />
-    <surface coeffs="6.0" id="12" name="maximum z" type="z-plane" />
-    <surface boundary="vacuum" coeffs="-10.0" id="13" name="minimum x" type="x-plane" />
-    <surface boundary="vacuum" coeffs="10.0" id="14" name="maximum x" type="x-plane" />
-    <surface boundary="vacuum" coeffs="-10.0" id="15" name="minimum y" type="y-plane" />
-    <surface boundary="vacuum" coeffs="10.0" id="16" name="maximum y" type="y-plane" />
-    <surface boundary="vacuum" coeffs="-10.0" id="17" name="minimum z" type="z-plane" />
-    <surface boundary="vacuum" coeffs="10.0" id="18" name="maximum z" type="z-plane" />
+    <cell id="1" material="1" name="fuel" region="1 -2 3 -4 5 -6" universe="1"/>
+    <cell id="2" material="2" name="clad" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1"/>
+    <cell id="3" material="3" name="water" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1"/>
+    <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane"/>
+    <surface coeffs="5.0" id="2" name="maximum x" type="x-plane"/>
+    <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane"/>
+    <surface coeffs="5.0" id="4" name="maximum y" type="y-plane"/>
+    <surface coeffs="-5.0" id="5" name="minimum z" type="z-plane"/>
+    <surface coeffs="5.0" id="6" name="maximum z" type="z-plane"/>
+    <surface coeffs="-6.0" id="7" name="minimum x" type="x-plane"/>
+    <surface coeffs="6.0" id="8" name="maximum x" type="x-plane"/>
+    <surface coeffs="-6.0" id="9" name="minimum y" type="y-plane"/>
+    <surface coeffs="6.0" id="10" name="maximum y" type="y-plane"/>
+    <surface coeffs="-6.0" id="11" name="minimum z" type="z-plane"/>
+    <surface coeffs="6.0" id="12" name="maximum z" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="-10.0" id="13" name="minimum x" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="10.0" id="14" name="maximum x" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="-10.0" id="15" name="minimum y" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="10.0" id="16" name="maximum y" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="-10.0" id="17" name="minimum z" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="10.0" id="18" name="maximum z" type="z-plane"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
@@ -48,7 +48,7 @@
     <batches>10</batches>
     <source strength="1.0">
       <space origin="0.0 0.0 0.0" type="spherical">
-        <r parameters="0.0 0.0" type="uniform" />
+        <r parameters="0.0 0.0" type="uniform"/>
         <cos_theta type="discrete">
           <parameters>1.0 1.0</parameters>
         </cos_theta>
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true0.dat b/tests/regression_tests/unstructured_mesh/inputs_true0.dat
index 7c3b5a53a..45e15c597 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true0.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true0.dat
@@ -2,45 +2,45 @@
 <model>
   <materials>
     <material depletable="true" id="1" name="fuel">
-      <density units="g/cc" value="4.5" />
-      <nuclide ao="1.0" name="U235" />
+      <density units="g/cc" value="4.5"/>
+      <nuclide ao="1.0" name="U235"/>
     </material>
     <material id="2" name="zircaloy">
-      <density units="g/cc" value="5.77" />
-      <nuclide ao="0.5145" name="Zr90" />
-      <nuclide ao="0.1122" name="Zr91" />
-      <nuclide ao="0.1715" name="Zr92" />
-      <nuclide ao="0.1738" name="Zr94" />
-      <nuclide ao="0.028" name="Zr96" />
+      <density units="g/cc" value="5.77"/>
+      <nuclide ao="0.5145" name="Zr90"/>
+      <nuclide ao="0.1122" name="Zr91"/>
+      <nuclide ao="0.1715" name="Zr92"/>
+      <nuclide ao="0.1738" name="Zr94"/>
+      <nuclide ao="0.028" name="Zr96"/>
     </material>
     <material id="3" name="water">
-      <density units="atom/b-cm" value="0.07416" />
-      <nuclide ao="2.0" name="H1" />
-      <nuclide ao="1.0" name="O16" />
+      <density units="atom/b-cm" value="0.07416"/>
+      <nuclide ao="2.0" name="H1"/>
+      <nuclide ao="1.0" name="O16"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="fuel" region="1 -2 3 -4 5 -6" universe="1" />
-    <cell id="2" material="2" name="clad" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1" />
-    <cell id="3" material="3" name="water" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1" />
-    <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane" />
-    <surface coeffs="5.0" id="2" name="maximum x" type="x-plane" />
-    <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane" />
-    <surface coeffs="5.0" id="4" name="maximum y" type="y-plane" />
-    <surface coeffs="-5.0" id="5" name="minimum z" type="z-plane" />
-    <surface coeffs="5.0" id="6" name="maximum z" type="z-plane" />
-    <surface coeffs="-6.0" id="7" name="minimum x" type="x-plane" />
-    <surface coeffs="6.0" id="8" name="maximum x" type="x-plane" />
-    <surface coeffs="-6.0" id="9" name="minimum y" type="y-plane" />
-    <surface coeffs="6.0" id="10" name="maximum y" type="y-plane" />
-    <surface coeffs="-6.0" id="11" name="minimum z" type="z-plane" />
-    <surface coeffs="6.0" id="12" name="maximum z" type="z-plane" />
-    <surface boundary="vacuum" coeffs="-15.0" id="13" name="minimum x" type="x-plane" />
-    <surface boundary="vacuum" coeffs="15.0" id="14" name="maximum x" type="x-plane" />
-    <surface boundary="vacuum" coeffs="-15.0" id="15" name="minimum y" type="y-plane" />
-    <surface boundary="vacuum" coeffs="15.0" id="16" name="maximum y" type="y-plane" />
-    <surface boundary="vacuum" coeffs="-15.0" id="17" name="minimum z" type="z-plane" />
-    <surface boundary="vacuum" coeffs="15.0" id="18" name="maximum z" type="z-plane" />
+    <cell id="1" material="1" name="fuel" region="1 -2 3 -4 5 -6" universe="1"/>
+    <cell id="2" material="2" name="clad" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1"/>
+    <cell id="3" material="3" name="water" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1"/>
+    <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane"/>
+    <surface coeffs="5.0" id="2" name="maximum x" type="x-plane"/>
+    <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane"/>
+    <surface coeffs="5.0" id="4" name="maximum y" type="y-plane"/>
+    <surface coeffs="-5.0" id="5" name="minimum z" type="z-plane"/>
+    <surface coeffs="5.0" id="6" name="maximum z" type="z-plane"/>
+    <surface coeffs="-6.0" id="7" name="minimum x" type="x-plane"/>
+    <surface coeffs="6.0" id="8" name="maximum x" type="x-plane"/>
+    <surface coeffs="-6.0" id="9" name="minimum y" type="y-plane"/>
+    <surface coeffs="6.0" id="10" name="maximum y" type="y-plane"/>
+    <surface coeffs="-6.0" id="11" name="minimum z" type="z-plane"/>
+    <surface coeffs="6.0" id="12" name="maximum z" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="-15.0" id="13" name="minimum x" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="15.0" id="14" name="maximum x" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="-15.0" id="15" name="minimum y" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="15.0" id="16" name="maximum y" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="-15.0" id="17" name="minimum z" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="15.0" id="18" name="maximum z" type="z-plane"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
@@ -48,7 +48,7 @@
     <batches>10</batches>
     <source strength="1.0">
       <space origin="0.0 0.0 0.0" type="spherical">
-        <r parameters="0.0 0.0" type="uniform" />
+        <r parameters="0.0 0.0" type="uniform"/>
         <cos_theta type="discrete">
           <parameters>1.0 1.0</parameters>
         </cos_theta>
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true1.dat b/tests/regression_tests/unstructured_mesh/inputs_true1.dat
index 2a0ca5168..d47985ceb 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true1.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true1.dat
@@ -2,45 +2,45 @@
 <model>
   <materials>
     <material depletable="true" id="1" name="fuel">
-      <density units="g/cc" value="4.5" />
-      <nuclide ao="1.0" name="U235" />
+      <density units="g/cc" value="4.5"/>
+      <nuclide ao="1.0" name="U235"/>
     </material>
     <material id="2" name="zircaloy">
-      <density units="g/cc" value="5.77" />
-      <nuclide ao="0.5145" name="Zr90" />
-      <nuclide ao="0.1122" name="Zr91" />
-      <nuclide ao="0.1715" name="Zr92" />
-      <nuclide ao="0.1738" name="Zr94" />
-      <nuclide ao="0.028" name="Zr96" />
+      <density units="g/cc" value="5.77"/>
+      <nuclide ao="0.5145" name="Zr90"/>
+      <nuclide ao="0.1122" name="Zr91"/>
+      <nuclide ao="0.1715" name="Zr92"/>
+      <nuclide ao="0.1738" name="Zr94"/>
+      <nuclide ao="0.028" name="Zr96"/>
     </material>
     <material id="3" name="water">
-      <density units="atom/b-cm" value="0.07416" />
-      <nuclide ao="2.0" name="H1" />
-      <nuclide ao="1.0" name="O16" />
+      <density units="atom/b-cm" value="0.07416"/>
+      <nuclide ao="2.0" name="H1"/>
+      <nuclide ao="1.0" name="O16"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="fuel" region="1 -2 3 -4 5 -6" universe="1" />
-    <cell id="2" material="2" name="clad" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1" />
-    <cell id="3" material="3" name="water" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1" />
-    <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane" />
-    <surface coeffs="5.0" id="2" name="maximum x" type="x-plane" />
-    <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane" />
-    <surface coeffs="5.0" id="4" name="maximum y" type="y-plane" />
-    <surface coeffs="-5.0" id="5" name="minimum z" type="z-plane" />
-    <surface coeffs="5.0" id="6" name="maximum z" type="z-plane" />
-    <surface coeffs="-6.0" id="7" name="minimum x" type="x-plane" />
-    <surface coeffs="6.0" id="8" name="maximum x" type="x-plane" />
-    <surface coeffs="-6.0" id="9" name="minimum y" type="y-plane" />
-    <surface coeffs="6.0" id="10" name="maximum y" type="y-plane" />
-    <surface coeffs="-6.0" id="11" name="minimum z" type="z-plane" />
-    <surface coeffs="6.0" id="12" name="maximum z" type="z-plane" />
-    <surface boundary="vacuum" coeffs="-15.0" id="13" name="minimum x" type="x-plane" />
-    <surface boundary="vacuum" coeffs="15.0" id="14" name="maximum x" type="x-plane" />
-    <surface boundary="vacuum" coeffs="-15.0" id="15" name="minimum y" type="y-plane" />
-    <surface boundary="vacuum" coeffs="15.0" id="16" name="maximum y" type="y-plane" />
-    <surface boundary="vacuum" coeffs="-15.0" id="17" name="minimum z" type="z-plane" />
-    <surface boundary="vacuum" coeffs="15.0" id="18" name="maximum z" type="z-plane" />
+    <cell id="1" material="1" name="fuel" region="1 -2 3 -4 5 -6" universe="1"/>
+    <cell id="2" material="2" name="clad" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1"/>
+    <cell id="3" material="3" name="water" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1"/>
+    <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane"/>
+    <surface coeffs="5.0" id="2" name="maximum x" type="x-plane"/>
+    <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane"/>
+    <surface coeffs="5.0" id="4" name="maximum y" type="y-plane"/>
+    <surface coeffs="-5.0" id="5" name="minimum z" type="z-plane"/>
+    <surface coeffs="5.0" id="6" name="maximum z" type="z-plane"/>
+    <surface coeffs="-6.0" id="7" name="minimum x" type="x-plane"/>
+    <surface coeffs="6.0" id="8" name="maximum x" type="x-plane"/>
+    <surface coeffs="-6.0" id="9" name="minimum y" type="y-plane"/>
+    <surface coeffs="6.0" id="10" name="maximum y" type="y-plane"/>
+    <surface coeffs="-6.0" id="11" name="minimum z" type="z-plane"/>
+    <surface coeffs="6.0" id="12" name="maximum z" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="-15.0" id="13" name="minimum x" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="15.0" id="14" name="maximum x" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="-15.0" id="15" name="minimum y" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="15.0" id="16" name="maximum y" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="-15.0" id="17" name="minimum z" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="15.0" id="18" name="maximum z" type="z-plane"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
@@ -48,7 +48,7 @@
     <batches>10</batches>
     <source strength="1.0">
       <space origin="0.0 0.0 0.0" type="spherical">
-        <r parameters="0.0 0.0" type="uniform" />
+        <r parameters="0.0 0.0" type="uniform"/>
         <cos_theta type="discrete">
           <parameters>1.0 1.0</parameters>
         </cos_theta>
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true10.dat b/tests/regression_tests/unstructured_mesh/inputs_true10.dat
index 1290a9835..943ef2dc8 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true10.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true10.dat
@@ -2,45 +2,45 @@
 <model>
   <materials>
     <material depletable="true" id="1" name="fuel">
-      <density units="g/cc" value="4.5" />
-      <nuclide ao="1.0" name="U235" />
+      <density units="g/cc" value="4.5"/>
+      <nuclide ao="1.0" name="U235"/>
     </material>
     <material id="2" name="zircaloy">
-      <density units="g/cc" value="5.77" />
-      <nuclide ao="0.5145" name="Zr90" />
-      <nuclide ao="0.1122" name="Zr91" />
-      <nuclide ao="0.1715" name="Zr92" />
-      <nuclide ao="0.1738" name="Zr94" />
-      <nuclide ao="0.028" name="Zr96" />
+      <density units="g/cc" value="5.77"/>
+      <nuclide ao="0.5145" name="Zr90"/>
+      <nuclide ao="0.1122" name="Zr91"/>
+      <nuclide ao="0.1715" name="Zr92"/>
+      <nuclide ao="0.1738" name="Zr94"/>
+      <nuclide ao="0.028" name="Zr96"/>
     </material>
     <material id="3" name="water">
-      <density units="atom/b-cm" value="0.07416" />
-      <nuclide ao="2.0" name="H1" />
-      <nuclide ao="1.0" name="O16" />
+      <density units="atom/b-cm" value="0.07416"/>
+      <nuclide ao="2.0" name="H1"/>
+      <nuclide ao="1.0" name="O16"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="fuel" region="1 -2 3 -4 5 -6" universe="1" />
-    <cell id="2" material="2" name="clad" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1" />
-    <cell id="3" material="3" name="water" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1" />
-    <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane" />
-    <surface coeffs="5.0" id="2" name="maximum x" type="x-plane" />
-    <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane" />
-    <surface coeffs="5.0" id="4" name="maximum y" type="y-plane" />
-    <surface coeffs="-5.0" id="5" name="minimum z" type="z-plane" />
-    <surface coeffs="5.0" id="6" name="maximum z" type="z-plane" />
-    <surface coeffs="-6.0" id="7" name="minimum x" type="x-plane" />
-    <surface coeffs="6.0" id="8" name="maximum x" type="x-plane" />
-    <surface coeffs="-6.0" id="9" name="minimum y" type="y-plane" />
-    <surface coeffs="6.0" id="10" name="maximum y" type="y-plane" />
-    <surface coeffs="-6.0" id="11" name="minimum z" type="z-plane" />
-    <surface coeffs="6.0" id="12" name="maximum z" type="z-plane" />
-    <surface boundary="vacuum" coeffs="-10.0" id="13" name="minimum x" type="x-plane" />
-    <surface boundary="vacuum" coeffs="10.0" id="14" name="maximum x" type="x-plane" />
-    <surface boundary="vacuum" coeffs="-10.0" id="15" name="minimum y" type="y-plane" />
-    <surface boundary="vacuum" coeffs="10.0" id="16" name="maximum y" type="y-plane" />
-    <surface boundary="vacuum" coeffs="-10.0" id="17" name="minimum z" type="z-plane" />
-    <surface boundary="vacuum" coeffs="10.0" id="18" name="maximum z" type="z-plane" />
+    <cell id="1" material="1" name="fuel" region="1 -2 3 -4 5 -6" universe="1"/>
+    <cell id="2" material="2" name="clad" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1"/>
+    <cell id="3" material="3" name="water" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1"/>
+    <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane"/>
+    <surface coeffs="5.0" id="2" name="maximum x" type="x-plane"/>
+    <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane"/>
+    <surface coeffs="5.0" id="4" name="maximum y" type="y-plane"/>
+    <surface coeffs="-5.0" id="5" name="minimum z" type="z-plane"/>
+    <surface coeffs="5.0" id="6" name="maximum z" type="z-plane"/>
+    <surface coeffs="-6.0" id="7" name="minimum x" type="x-plane"/>
+    <surface coeffs="6.0" id="8" name="maximum x" type="x-plane"/>
+    <surface coeffs="-6.0" id="9" name="minimum y" type="y-plane"/>
+    <surface coeffs="6.0" id="10" name="maximum y" type="y-plane"/>
+    <surface coeffs="-6.0" id="11" name="minimum z" type="z-plane"/>
+    <surface coeffs="6.0" id="12" name="maximum z" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="-10.0" id="13" name="minimum x" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="10.0" id="14" name="maximum x" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="-10.0" id="15" name="minimum y" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="10.0" id="16" name="maximum y" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="-10.0" id="17" name="minimum z" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="10.0" id="18" name="maximum z" type="z-plane"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
@@ -48,7 +48,7 @@
     <batches>10</batches>
     <source strength="1.0">
       <space origin="0.0 0.0 0.0" type="spherical">
-        <r parameters="0.0 0.0" type="uniform" />
+        <r parameters="0.0 0.0" type="uniform"/>
         <cos_theta type="discrete">
           <parameters>1.0 1.0</parameters>
         </cos_theta>
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true11.dat b/tests/regression_tests/unstructured_mesh/inputs_true11.dat
index 5edb5cf0f..d0888b4b8 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true11.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true11.dat
@@ -2,45 +2,45 @@
 <model>
   <materials>
     <material depletable="true" id="1" name="fuel">
-      <density units="g/cc" value="4.5" />
-      <nuclide ao="1.0" name="U235" />
+      <density units="g/cc" value="4.5"/>
+      <nuclide ao="1.0" name="U235"/>
     </material>
     <material id="2" name="zircaloy">
-      <density units="g/cc" value="5.77" />
-      <nuclide ao="0.5145" name="Zr90" />
-      <nuclide ao="0.1122" name="Zr91" />
-      <nuclide ao="0.1715" name="Zr92" />
-      <nuclide ao="0.1738" name="Zr94" />
-      <nuclide ao="0.028" name="Zr96" />
+      <density units="g/cc" value="5.77"/>
+      <nuclide ao="0.5145" name="Zr90"/>
+      <nuclide ao="0.1122" name="Zr91"/>
+      <nuclide ao="0.1715" name="Zr92"/>
+      <nuclide ao="0.1738" name="Zr94"/>
+      <nuclide ao="0.028" name="Zr96"/>
     </material>
     <material id="3" name="water">
-      <density units="atom/b-cm" value="0.07416" />
-      <nuclide ao="2.0" name="H1" />
-      <nuclide ao="1.0" name="O16" />
+      <density units="atom/b-cm" value="0.07416"/>
+      <nuclide ao="2.0" name="H1"/>
+      <nuclide ao="1.0" name="O16"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="fuel" region="1 -2 3 -4 5 -6" universe="1" />
-    <cell id="2" material="2" name="clad" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1" />
-    <cell id="3" material="3" name="water" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1" />
-    <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane" />
-    <surface coeffs="5.0" id="2" name="maximum x" type="x-plane" />
-    <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane" />
-    <surface coeffs="5.0" id="4" name="maximum y" type="y-plane" />
-    <surface coeffs="-5.0" id="5" name="minimum z" type="z-plane" />
-    <surface coeffs="5.0" id="6" name="maximum z" type="z-plane" />
-    <surface coeffs="-6.0" id="7" name="minimum x" type="x-plane" />
-    <surface coeffs="6.0" id="8" name="maximum x" type="x-plane" />
-    <surface coeffs="-6.0" id="9" name="minimum y" type="y-plane" />
-    <surface coeffs="6.0" id="10" name="maximum y" type="y-plane" />
-    <surface coeffs="-6.0" id="11" name="minimum z" type="z-plane" />
-    <surface coeffs="6.0" id="12" name="maximum z" type="z-plane" />
-    <surface boundary="vacuum" coeffs="-10.0" id="13" name="minimum x" type="x-plane" />
-    <surface boundary="vacuum" coeffs="10.0" id="14" name="maximum x" type="x-plane" />
-    <surface boundary="vacuum" coeffs="-10.0" id="15" name="minimum y" type="y-plane" />
-    <surface boundary="vacuum" coeffs="10.0" id="16" name="maximum y" type="y-plane" />
-    <surface boundary="vacuum" coeffs="-10.0" id="17" name="minimum z" type="z-plane" />
-    <surface boundary="vacuum" coeffs="10.0" id="18" name="maximum z" type="z-plane" />
+    <cell id="1" material="1" name="fuel" region="1 -2 3 -4 5 -6" universe="1"/>
+    <cell id="2" material="2" name="clad" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1"/>
+    <cell id="3" material="3" name="water" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1"/>
+    <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane"/>
+    <surface coeffs="5.0" id="2" name="maximum x" type="x-plane"/>
+    <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane"/>
+    <surface coeffs="5.0" id="4" name="maximum y" type="y-plane"/>
+    <surface coeffs="-5.0" id="5" name="minimum z" type="z-plane"/>
+    <surface coeffs="5.0" id="6" name="maximum z" type="z-plane"/>
+    <surface coeffs="-6.0" id="7" name="minimum x" type="x-plane"/>
+    <surface coeffs="6.0" id="8" name="maximum x" type="x-plane"/>
+    <surface coeffs="-6.0" id="9" name="minimum y" type="y-plane"/>
+    <surface coeffs="6.0" id="10" name="maximum y" type="y-plane"/>
+    <surface coeffs="-6.0" id="11" name="minimum z" type="z-plane"/>
+    <surface coeffs="6.0" id="12" name="maximum z" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="-10.0" id="13" name="minimum x" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="10.0" id="14" name="maximum x" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="-10.0" id="15" name="minimum y" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="10.0" id="16" name="maximum y" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="-10.0" id="17" name="minimum z" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="10.0" id="18" name="maximum z" type="z-plane"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
@@ -48,7 +48,7 @@
     <batches>10</batches>
     <source strength="1.0">
       <space origin="0.0 0.0 0.0" type="spherical">
-        <r parameters="0.0 0.0" type="uniform" />
+        <r parameters="0.0 0.0" type="uniform"/>
         <cos_theta type="discrete">
           <parameters>1.0 1.0</parameters>
         </cos_theta>
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true12.dat b/tests/regression_tests/unstructured_mesh/inputs_true12.dat
index d8def3b5b..b431b412e 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true12.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true12.dat
@@ -2,45 +2,45 @@
 <model>
   <materials>
     <material depletable="true" id="1" name="fuel">
-      <density units="g/cc" value="4.5" />
-      <nuclide ao="1.0" name="U235" />
+      <density units="g/cc" value="4.5"/>
+      <nuclide ao="1.0" name="U235"/>
     </material>
     <material id="2" name="zircaloy">
-      <density units="g/cc" value="5.77" />
-      <nuclide ao="0.5145" name="Zr90" />
-      <nuclide ao="0.1122" name="Zr91" />
-      <nuclide ao="0.1715" name="Zr92" />
-      <nuclide ao="0.1738" name="Zr94" />
-      <nuclide ao="0.028" name="Zr96" />
+      <density units="g/cc" value="5.77"/>
+      <nuclide ao="0.5145" name="Zr90"/>
+      <nuclide ao="0.1122" name="Zr91"/>
+      <nuclide ao="0.1715" name="Zr92"/>
+      <nuclide ao="0.1738" name="Zr94"/>
+      <nuclide ao="0.028" name="Zr96"/>
     </material>
     <material id="3" name="water">
-      <density units="atom/b-cm" value="0.07416" />
-      <nuclide ao="2.0" name="H1" />
-      <nuclide ao="1.0" name="O16" />
+      <density units="atom/b-cm" value="0.07416"/>
+      <nuclide ao="2.0" name="H1"/>
+      <nuclide ao="1.0" name="O16"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="fuel" region="1 -2 3 -4 5 -6" universe="1" />
-    <cell id="2" material="2" name="clad" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1" />
-    <cell id="3" material="3" name="water" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1" />
-    <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane" />
-    <surface coeffs="5.0" id="2" name="maximum x" type="x-plane" />
-    <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane" />
-    <surface coeffs="5.0" id="4" name="maximum y" type="y-plane" />
-    <surface coeffs="-5.0" id="5" name="minimum z" type="z-plane" />
-    <surface coeffs="5.0" id="6" name="maximum z" type="z-plane" />
-    <surface coeffs="-6.0" id="7" name="minimum x" type="x-plane" />
-    <surface coeffs="6.0" id="8" name="maximum x" type="x-plane" />
-    <surface coeffs="-6.0" id="9" name="minimum y" type="y-plane" />
-    <surface coeffs="6.0" id="10" name="maximum y" type="y-plane" />
-    <surface coeffs="-6.0" id="11" name="minimum z" type="z-plane" />
-    <surface coeffs="6.0" id="12" name="maximum z" type="z-plane" />
-    <surface boundary="vacuum" coeffs="-15.0" id="13" name="minimum x" type="x-plane" />
-    <surface boundary="vacuum" coeffs="15.0" id="14" name="maximum x" type="x-plane" />
-    <surface boundary="vacuum" coeffs="-15.0" id="15" name="minimum y" type="y-plane" />
-    <surface boundary="vacuum" coeffs="15.0" id="16" name="maximum y" type="y-plane" />
-    <surface boundary="vacuum" coeffs="-15.0" id="17" name="minimum z" type="z-plane" />
-    <surface boundary="vacuum" coeffs="15.0" id="18" name="maximum z" type="z-plane" />
+    <cell id="1" material="1" name="fuel" region="1 -2 3 -4 5 -6" universe="1"/>
+    <cell id="2" material="2" name="clad" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1"/>
+    <cell id="3" material="3" name="water" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1"/>
+    <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane"/>
+    <surface coeffs="5.0" id="2" name="maximum x" type="x-plane"/>
+    <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane"/>
+    <surface coeffs="5.0" id="4" name="maximum y" type="y-plane"/>
+    <surface coeffs="-5.0" id="5" name="minimum z" type="z-plane"/>
+    <surface coeffs="5.0" id="6" name="maximum z" type="z-plane"/>
+    <surface coeffs="-6.0" id="7" name="minimum x" type="x-plane"/>
+    <surface coeffs="6.0" id="8" name="maximum x" type="x-plane"/>
+    <surface coeffs="-6.0" id="9" name="minimum y" type="y-plane"/>
+    <surface coeffs="6.0" id="10" name="maximum y" type="y-plane"/>
+    <surface coeffs="-6.0" id="11" name="minimum z" type="z-plane"/>
+    <surface coeffs="6.0" id="12" name="maximum z" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="-15.0" id="13" name="minimum x" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="15.0" id="14" name="maximum x" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="-15.0" id="15" name="minimum y" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="15.0" id="16" name="maximum y" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="-15.0" id="17" name="minimum z" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="15.0" id="18" name="maximum z" type="z-plane"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
@@ -48,7 +48,7 @@
     <batches>10</batches>
     <source strength="1.0">
       <space origin="0.0 0.0 0.0" type="spherical">
-        <r parameters="0.0 0.0" type="uniform" />
+        <r parameters="0.0 0.0" type="uniform"/>
         <cos_theta type="discrete">
           <parameters>1.0 1.0</parameters>
         </cos_theta>
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true13.dat b/tests/regression_tests/unstructured_mesh/inputs_true13.dat
index 3afb0ce50..f53e733a8 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true13.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true13.dat
@@ -2,45 +2,45 @@
 <model>
   <materials>
     <material depletable="true" id="1" name="fuel">
-      <density units="g/cc" value="4.5" />
-      <nuclide ao="1.0" name="U235" />
+      <density units="g/cc" value="4.5"/>
+      <nuclide ao="1.0" name="U235"/>
     </material>
     <material id="2" name="zircaloy">
-      <density units="g/cc" value="5.77" />
-      <nuclide ao="0.5145" name="Zr90" />
-      <nuclide ao="0.1122" name="Zr91" />
-      <nuclide ao="0.1715" name="Zr92" />
-      <nuclide ao="0.1738" name="Zr94" />
-      <nuclide ao="0.028" name="Zr96" />
+      <density units="g/cc" value="5.77"/>
+      <nuclide ao="0.5145" name="Zr90"/>
+      <nuclide ao="0.1122" name="Zr91"/>
+      <nuclide ao="0.1715" name="Zr92"/>
+      <nuclide ao="0.1738" name="Zr94"/>
+      <nuclide ao="0.028" name="Zr96"/>
     </material>
     <material id="3" name="water">
-      <density units="atom/b-cm" value="0.07416" />
-      <nuclide ao="2.0" name="H1" />
-      <nuclide ao="1.0" name="O16" />
+      <density units="atom/b-cm" value="0.07416"/>
+      <nuclide ao="2.0" name="H1"/>
+      <nuclide ao="1.0" name="O16"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="fuel" region="1 -2 3 -4 5 -6" universe="1" />
-    <cell id="2" material="2" name="clad" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1" />
-    <cell id="3" material="3" name="water" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1" />
-    <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane" />
-    <surface coeffs="5.0" id="2" name="maximum x" type="x-plane" />
-    <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane" />
-    <surface coeffs="5.0" id="4" name="maximum y" type="y-plane" />
-    <surface coeffs="-5.0" id="5" name="minimum z" type="z-plane" />
-    <surface coeffs="5.0" id="6" name="maximum z" type="z-plane" />
-    <surface coeffs="-6.0" id="7" name="minimum x" type="x-plane" />
-    <surface coeffs="6.0" id="8" name="maximum x" type="x-plane" />
-    <surface coeffs="-6.0" id="9" name="minimum y" type="y-plane" />
-    <surface coeffs="6.0" id="10" name="maximum y" type="y-plane" />
-    <surface coeffs="-6.0" id="11" name="minimum z" type="z-plane" />
-    <surface coeffs="6.0" id="12" name="maximum z" type="z-plane" />
-    <surface boundary="vacuum" coeffs="-15.0" id="13" name="minimum x" type="x-plane" />
-    <surface boundary="vacuum" coeffs="15.0" id="14" name="maximum x" type="x-plane" />
-    <surface boundary="vacuum" coeffs="-15.0" id="15" name="minimum y" type="y-plane" />
-    <surface boundary="vacuum" coeffs="15.0" id="16" name="maximum y" type="y-plane" />
-    <surface boundary="vacuum" coeffs="-15.0" id="17" name="minimum z" type="z-plane" />
-    <surface boundary="vacuum" coeffs="15.0" id="18" name="maximum z" type="z-plane" />
+    <cell id="1" material="1" name="fuel" region="1 -2 3 -4 5 -6" universe="1"/>
+    <cell id="2" material="2" name="clad" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1"/>
+    <cell id="3" material="3" name="water" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1"/>
+    <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane"/>
+    <surface coeffs="5.0" id="2" name="maximum x" type="x-plane"/>
+    <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane"/>
+    <surface coeffs="5.0" id="4" name="maximum y" type="y-plane"/>
+    <surface coeffs="-5.0" id="5" name="minimum z" type="z-plane"/>
+    <surface coeffs="5.0" id="6" name="maximum z" type="z-plane"/>
+    <surface coeffs="-6.0" id="7" name="minimum x" type="x-plane"/>
+    <surface coeffs="6.0" id="8" name="maximum x" type="x-plane"/>
+    <surface coeffs="-6.0" id="9" name="minimum y" type="y-plane"/>
+    <surface coeffs="6.0" id="10" name="maximum y" type="y-plane"/>
+    <surface coeffs="-6.0" id="11" name="minimum z" type="z-plane"/>
+    <surface coeffs="6.0" id="12" name="maximum z" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="-15.0" id="13" name="minimum x" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="15.0" id="14" name="maximum x" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="-15.0" id="15" name="minimum y" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="15.0" id="16" name="maximum y" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="-15.0" id="17" name="minimum z" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="15.0" id="18" name="maximum z" type="z-plane"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
@@ -48,7 +48,7 @@
     <batches>10</batches>
     <source strength="1.0">
       <space origin="0.0 0.0 0.0" type="spherical">
-        <r parameters="0.0 0.0" type="uniform" />
+        <r parameters="0.0 0.0" type="uniform"/>
         <cos_theta type="discrete">
           <parameters>1.0 1.0</parameters>
         </cos_theta>
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true14.dat b/tests/regression_tests/unstructured_mesh/inputs_true14.dat
index b7de468ea..05bdf3ae9 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true14.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true14.dat
@@ -2,45 +2,45 @@
 <model>
   <materials>
     <material depletable="true" id="1" name="fuel">
-      <density units="g/cc" value="4.5" />
-      <nuclide ao="1.0" name="U235" />
+      <density units="g/cc" value="4.5"/>
+      <nuclide ao="1.0" name="U235"/>
     </material>
     <material id="2" name="zircaloy">
-      <density units="g/cc" value="5.77" />
-      <nuclide ao="0.5145" name="Zr90" />
-      <nuclide ao="0.1122" name="Zr91" />
-      <nuclide ao="0.1715" name="Zr92" />
-      <nuclide ao="0.1738" name="Zr94" />
-      <nuclide ao="0.028" name="Zr96" />
+      <density units="g/cc" value="5.77"/>
+      <nuclide ao="0.5145" name="Zr90"/>
+      <nuclide ao="0.1122" name="Zr91"/>
+      <nuclide ao="0.1715" name="Zr92"/>
+      <nuclide ao="0.1738" name="Zr94"/>
+      <nuclide ao="0.028" name="Zr96"/>
     </material>
     <material id="3" name="water">
-      <density units="atom/b-cm" value="0.07416" />
-      <nuclide ao="2.0" name="H1" />
-      <nuclide ao="1.0" name="O16" />
+      <density units="atom/b-cm" value="0.07416"/>
+      <nuclide ao="2.0" name="H1"/>
+      <nuclide ao="1.0" name="O16"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="fuel" region="1 -2 3 -4 5 -6" universe="1" />
-    <cell id="2" material="2" name="clad" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1" />
-    <cell id="3" material="3" name="water" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1" />
-    <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane" />
-    <surface coeffs="5.0" id="2" name="maximum x" type="x-plane" />
-    <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane" />
-    <surface coeffs="5.0" id="4" name="maximum y" type="y-plane" />
-    <surface coeffs="-5.0" id="5" name="minimum z" type="z-plane" />
-    <surface coeffs="5.0" id="6" name="maximum z" type="z-plane" />
-    <surface coeffs="-6.0" id="7" name="minimum x" type="x-plane" />
-    <surface coeffs="6.0" id="8" name="maximum x" type="x-plane" />
-    <surface coeffs="-6.0" id="9" name="minimum y" type="y-plane" />
-    <surface coeffs="6.0" id="10" name="maximum y" type="y-plane" />
-    <surface coeffs="-6.0" id="11" name="minimum z" type="z-plane" />
-    <surface coeffs="6.0" id="12" name="maximum z" type="z-plane" />
-    <surface boundary="vacuum" coeffs="-10.0" id="13" name="minimum x" type="x-plane" />
-    <surface boundary="vacuum" coeffs="10.0" id="14" name="maximum x" type="x-plane" />
-    <surface boundary="vacuum" coeffs="-10.0" id="15" name="minimum y" type="y-plane" />
-    <surface boundary="vacuum" coeffs="10.0" id="16" name="maximum y" type="y-plane" />
-    <surface boundary="vacuum" coeffs="-10.0" id="17" name="minimum z" type="z-plane" />
-    <surface boundary="vacuum" coeffs="10.0" id="18" name="maximum z" type="z-plane" />
+    <cell id="1" material="1" name="fuel" region="1 -2 3 -4 5 -6" universe="1"/>
+    <cell id="2" material="2" name="clad" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1"/>
+    <cell id="3" material="3" name="water" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1"/>
+    <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane"/>
+    <surface coeffs="5.0" id="2" name="maximum x" type="x-plane"/>
+    <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane"/>
+    <surface coeffs="5.0" id="4" name="maximum y" type="y-plane"/>
+    <surface coeffs="-5.0" id="5" name="minimum z" type="z-plane"/>
+    <surface coeffs="5.0" id="6" name="maximum z" type="z-plane"/>
+    <surface coeffs="-6.0" id="7" name="minimum x" type="x-plane"/>
+    <surface coeffs="6.0" id="8" name="maximum x" type="x-plane"/>
+    <surface coeffs="-6.0" id="9" name="minimum y" type="y-plane"/>
+    <surface coeffs="6.0" id="10" name="maximum y" type="y-plane"/>
+    <surface coeffs="-6.0" id="11" name="minimum z" type="z-plane"/>
+    <surface coeffs="6.0" id="12" name="maximum z" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="-10.0" id="13" name="minimum x" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="10.0" id="14" name="maximum x" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="-10.0" id="15" name="minimum y" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="10.0" id="16" name="maximum y" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="-10.0" id="17" name="minimum z" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="10.0" id="18" name="maximum z" type="z-plane"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
@@ -48,7 +48,7 @@
     <batches>10</batches>
     <source strength="1.0">
       <space origin="0.0 0.0 0.0" type="spherical">
-        <r parameters="0.0 0.0" type="uniform" />
+        <r parameters="0.0 0.0" type="uniform"/>
         <cos_theta type="discrete">
           <parameters>1.0 1.0</parameters>
         </cos_theta>
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true15.dat b/tests/regression_tests/unstructured_mesh/inputs_true15.dat
index bdb1dd037..67c8af427 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true15.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true15.dat
@@ -2,45 +2,45 @@
 <model>
   <materials>
     <material depletable="true" id="1" name="fuel">
-      <density units="g/cc" value="4.5" />
-      <nuclide ao="1.0" name="U235" />
+      <density units="g/cc" value="4.5"/>
+      <nuclide ao="1.0" name="U235"/>
     </material>
     <material id="2" name="zircaloy">
-      <density units="g/cc" value="5.77" />
-      <nuclide ao="0.5145" name="Zr90" />
-      <nuclide ao="0.1122" name="Zr91" />
-      <nuclide ao="0.1715" name="Zr92" />
-      <nuclide ao="0.1738" name="Zr94" />
-      <nuclide ao="0.028" name="Zr96" />
+      <density units="g/cc" value="5.77"/>
+      <nuclide ao="0.5145" name="Zr90"/>
+      <nuclide ao="0.1122" name="Zr91"/>
+      <nuclide ao="0.1715" name="Zr92"/>
+      <nuclide ao="0.1738" name="Zr94"/>
+      <nuclide ao="0.028" name="Zr96"/>
     </material>
     <material id="3" name="water">
-      <density units="atom/b-cm" value="0.07416" />
-      <nuclide ao="2.0" name="H1" />
-      <nuclide ao="1.0" name="O16" />
+      <density units="atom/b-cm" value="0.07416"/>
+      <nuclide ao="2.0" name="H1"/>
+      <nuclide ao="1.0" name="O16"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="fuel" region="1 -2 3 -4 5 -6" universe="1" />
-    <cell id="2" material="2" name="clad" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1" />
-    <cell id="3" material="3" name="water" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1" />
-    <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane" />
-    <surface coeffs="5.0" id="2" name="maximum x" type="x-plane" />
-    <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane" />
-    <surface coeffs="5.0" id="4" name="maximum y" type="y-plane" />
-    <surface coeffs="-5.0" id="5" name="minimum z" type="z-plane" />
-    <surface coeffs="5.0" id="6" name="maximum z" type="z-plane" />
-    <surface coeffs="-6.0" id="7" name="minimum x" type="x-plane" />
-    <surface coeffs="6.0" id="8" name="maximum x" type="x-plane" />
-    <surface coeffs="-6.0" id="9" name="minimum y" type="y-plane" />
-    <surface coeffs="6.0" id="10" name="maximum y" type="y-plane" />
-    <surface coeffs="-6.0" id="11" name="minimum z" type="z-plane" />
-    <surface coeffs="6.0" id="12" name="maximum z" type="z-plane" />
-    <surface boundary="vacuum" coeffs="-10.0" id="13" name="minimum x" type="x-plane" />
-    <surface boundary="vacuum" coeffs="10.0" id="14" name="maximum x" type="x-plane" />
-    <surface boundary="vacuum" coeffs="-10.0" id="15" name="minimum y" type="y-plane" />
-    <surface boundary="vacuum" coeffs="10.0" id="16" name="maximum y" type="y-plane" />
-    <surface boundary="vacuum" coeffs="-10.0" id="17" name="minimum z" type="z-plane" />
-    <surface boundary="vacuum" coeffs="10.0" id="18" name="maximum z" type="z-plane" />
+    <cell id="1" material="1" name="fuel" region="1 -2 3 -4 5 -6" universe="1"/>
+    <cell id="2" material="2" name="clad" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1"/>
+    <cell id="3" material="3" name="water" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1"/>
+    <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane"/>
+    <surface coeffs="5.0" id="2" name="maximum x" type="x-plane"/>
+    <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane"/>
+    <surface coeffs="5.0" id="4" name="maximum y" type="y-plane"/>
+    <surface coeffs="-5.0" id="5" name="minimum z" type="z-plane"/>
+    <surface coeffs="5.0" id="6" name="maximum z" type="z-plane"/>
+    <surface coeffs="-6.0" id="7" name="minimum x" type="x-plane"/>
+    <surface coeffs="6.0" id="8" name="maximum x" type="x-plane"/>
+    <surface coeffs="-6.0" id="9" name="minimum y" type="y-plane"/>
+    <surface coeffs="6.0" id="10" name="maximum y" type="y-plane"/>
+    <surface coeffs="-6.0" id="11" name="minimum z" type="z-plane"/>
+    <surface coeffs="6.0" id="12" name="maximum z" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="-10.0" id="13" name="minimum x" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="10.0" id="14" name="maximum x" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="-10.0" id="15" name="minimum y" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="10.0" id="16" name="maximum y" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="-10.0" id="17" name="minimum z" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="10.0" id="18" name="maximum z" type="z-plane"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
@@ -48,7 +48,7 @@
     <batches>10</batches>
     <source strength="1.0">
       <space origin="0.0 0.0 0.0" type="spherical">
-        <r parameters="0.0 0.0" type="uniform" />
+        <r parameters="0.0 0.0" type="uniform"/>
         <cos_theta type="discrete">
           <parameters>1.0 1.0</parameters>
         </cos_theta>
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true2.dat b/tests/regression_tests/unstructured_mesh/inputs_true2.dat
index b2a998786..78ff40199 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true2.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true2.dat
@@ -2,45 +2,45 @@
 <model>
   <materials>
     <material depletable="true" id="1" name="fuel">
-      <density units="g/cc" value="4.5" />
-      <nuclide ao="1.0" name="U235" />
+      <density units="g/cc" value="4.5"/>
+      <nuclide ao="1.0" name="U235"/>
     </material>
     <material id="2" name="zircaloy">
-      <density units="g/cc" value="5.77" />
-      <nuclide ao="0.5145" name="Zr90" />
-      <nuclide ao="0.1122" name="Zr91" />
-      <nuclide ao="0.1715" name="Zr92" />
-      <nuclide ao="0.1738" name="Zr94" />
-      <nuclide ao="0.028" name="Zr96" />
+      <density units="g/cc" value="5.77"/>
+      <nuclide ao="0.5145" name="Zr90"/>
+      <nuclide ao="0.1122" name="Zr91"/>
+      <nuclide ao="0.1715" name="Zr92"/>
+      <nuclide ao="0.1738" name="Zr94"/>
+      <nuclide ao="0.028" name="Zr96"/>
     </material>
     <material id="3" name="water">
-      <density units="atom/b-cm" value="0.07416" />
-      <nuclide ao="2.0" name="H1" />
-      <nuclide ao="1.0" name="O16" />
+      <density units="atom/b-cm" value="0.07416"/>
+      <nuclide ao="2.0" name="H1"/>
+      <nuclide ao="1.0" name="O16"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="fuel" region="1 -2 3 -4 5 -6" universe="1" />
-    <cell id="2" material="2" name="clad" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1" />
-    <cell id="3" material="3" name="water" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1" />
-    <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane" />
-    <surface coeffs="5.0" id="2" name="maximum x" type="x-plane" />
-    <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane" />
-    <surface coeffs="5.0" id="4" name="maximum y" type="y-plane" />
-    <surface coeffs="-5.0" id="5" name="minimum z" type="z-plane" />
-    <surface coeffs="5.0" id="6" name="maximum z" type="z-plane" />
-    <surface coeffs="-6.0" id="7" name="minimum x" type="x-plane" />
-    <surface coeffs="6.0" id="8" name="maximum x" type="x-plane" />
-    <surface coeffs="-6.0" id="9" name="minimum y" type="y-plane" />
-    <surface coeffs="6.0" id="10" name="maximum y" type="y-plane" />
-    <surface coeffs="-6.0" id="11" name="minimum z" type="z-plane" />
-    <surface coeffs="6.0" id="12" name="maximum z" type="z-plane" />
-    <surface boundary="vacuum" coeffs="-10.0" id="13" name="minimum x" type="x-plane" />
-    <surface boundary="vacuum" coeffs="10.0" id="14" name="maximum x" type="x-plane" />
-    <surface boundary="vacuum" coeffs="-10.0" id="15" name="minimum y" type="y-plane" />
-    <surface boundary="vacuum" coeffs="10.0" id="16" name="maximum y" type="y-plane" />
-    <surface boundary="vacuum" coeffs="-10.0" id="17" name="minimum z" type="z-plane" />
-    <surface boundary="vacuum" coeffs="10.0" id="18" name="maximum z" type="z-plane" />
+    <cell id="1" material="1" name="fuel" region="1 -2 3 -4 5 -6" universe="1"/>
+    <cell id="2" material="2" name="clad" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1"/>
+    <cell id="3" material="3" name="water" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1"/>
+    <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane"/>
+    <surface coeffs="5.0" id="2" name="maximum x" type="x-plane"/>
+    <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane"/>
+    <surface coeffs="5.0" id="4" name="maximum y" type="y-plane"/>
+    <surface coeffs="-5.0" id="5" name="minimum z" type="z-plane"/>
+    <surface coeffs="5.0" id="6" name="maximum z" type="z-plane"/>
+    <surface coeffs="-6.0" id="7" name="minimum x" type="x-plane"/>
+    <surface coeffs="6.0" id="8" name="maximum x" type="x-plane"/>
+    <surface coeffs="-6.0" id="9" name="minimum y" type="y-plane"/>
+    <surface coeffs="6.0" id="10" name="maximum y" type="y-plane"/>
+    <surface coeffs="-6.0" id="11" name="minimum z" type="z-plane"/>
+    <surface coeffs="6.0" id="12" name="maximum z" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="-10.0" id="13" name="minimum x" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="10.0" id="14" name="maximum x" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="-10.0" id="15" name="minimum y" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="10.0" id="16" name="maximum y" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="-10.0" id="17" name="minimum z" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="10.0" id="18" name="maximum z" type="z-plane"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
@@ -48,7 +48,7 @@
     <batches>10</batches>
     <source strength="1.0">
       <space origin="0.0 0.0 0.0" type="spherical">
-        <r parameters="0.0 0.0" type="uniform" />
+        <r parameters="0.0 0.0" type="uniform"/>
         <cos_theta type="discrete">
           <parameters>1.0 1.0</parameters>
         </cos_theta>
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true3.dat b/tests/regression_tests/unstructured_mesh/inputs_true3.dat
index 4a66dc2a6..fe5515493 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true3.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true3.dat
@@ -2,45 +2,45 @@
 <model>
   <materials>
     <material depletable="true" id="1" name="fuel">
-      <density units="g/cc" value="4.5" />
-      <nuclide ao="1.0" name="U235" />
+      <density units="g/cc" value="4.5"/>
+      <nuclide ao="1.0" name="U235"/>
     </material>
     <material id="2" name="zircaloy">
-      <density units="g/cc" value="5.77" />
-      <nuclide ao="0.5145" name="Zr90" />
-      <nuclide ao="0.1122" name="Zr91" />
-      <nuclide ao="0.1715" name="Zr92" />
-      <nuclide ao="0.1738" name="Zr94" />
-      <nuclide ao="0.028" name="Zr96" />
+      <density units="g/cc" value="5.77"/>
+      <nuclide ao="0.5145" name="Zr90"/>
+      <nuclide ao="0.1122" name="Zr91"/>
+      <nuclide ao="0.1715" name="Zr92"/>
+      <nuclide ao="0.1738" name="Zr94"/>
+      <nuclide ao="0.028" name="Zr96"/>
     </material>
     <material id="3" name="water">
-      <density units="atom/b-cm" value="0.07416" />
-      <nuclide ao="2.0" name="H1" />
-      <nuclide ao="1.0" name="O16" />
+      <density units="atom/b-cm" value="0.07416"/>
+      <nuclide ao="2.0" name="H1"/>
+      <nuclide ao="1.0" name="O16"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="fuel" region="1 -2 3 -4 5 -6" universe="1" />
-    <cell id="2" material="2" name="clad" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1" />
-    <cell id="3" material="3" name="water" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1" />
-    <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane" />
-    <surface coeffs="5.0" id="2" name="maximum x" type="x-plane" />
-    <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane" />
-    <surface coeffs="5.0" id="4" name="maximum y" type="y-plane" />
-    <surface coeffs="-5.0" id="5" name="minimum z" type="z-plane" />
-    <surface coeffs="5.0" id="6" name="maximum z" type="z-plane" />
-    <surface coeffs="-6.0" id="7" name="minimum x" type="x-plane" />
-    <surface coeffs="6.0" id="8" name="maximum x" type="x-plane" />
-    <surface coeffs="-6.0" id="9" name="minimum y" type="y-plane" />
-    <surface coeffs="6.0" id="10" name="maximum y" type="y-plane" />
-    <surface coeffs="-6.0" id="11" name="minimum z" type="z-plane" />
-    <surface coeffs="6.0" id="12" name="maximum z" type="z-plane" />
-    <surface boundary="vacuum" coeffs="-10.0" id="13" name="minimum x" type="x-plane" />
-    <surface boundary="vacuum" coeffs="10.0" id="14" name="maximum x" type="x-plane" />
-    <surface boundary="vacuum" coeffs="-10.0" id="15" name="minimum y" type="y-plane" />
-    <surface boundary="vacuum" coeffs="10.0" id="16" name="maximum y" type="y-plane" />
-    <surface boundary="vacuum" coeffs="-10.0" id="17" name="minimum z" type="z-plane" />
-    <surface boundary="vacuum" coeffs="10.0" id="18" name="maximum z" type="z-plane" />
+    <cell id="1" material="1" name="fuel" region="1 -2 3 -4 5 -6" universe="1"/>
+    <cell id="2" material="2" name="clad" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1"/>
+    <cell id="3" material="3" name="water" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1"/>
+    <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane"/>
+    <surface coeffs="5.0" id="2" name="maximum x" type="x-plane"/>
+    <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane"/>
+    <surface coeffs="5.0" id="4" name="maximum y" type="y-plane"/>
+    <surface coeffs="-5.0" id="5" name="minimum z" type="z-plane"/>
+    <surface coeffs="5.0" id="6" name="maximum z" type="z-plane"/>
+    <surface coeffs="-6.0" id="7" name="minimum x" type="x-plane"/>
+    <surface coeffs="6.0" id="8" name="maximum x" type="x-plane"/>
+    <surface coeffs="-6.0" id="9" name="minimum y" type="y-plane"/>
+    <surface coeffs="6.0" id="10" name="maximum y" type="y-plane"/>
+    <surface coeffs="-6.0" id="11" name="minimum z" type="z-plane"/>
+    <surface coeffs="6.0" id="12" name="maximum z" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="-10.0" id="13" name="minimum x" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="10.0" id="14" name="maximum x" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="-10.0" id="15" name="minimum y" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="10.0" id="16" name="maximum y" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="-10.0" id="17" name="minimum z" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="10.0" id="18" name="maximum z" type="z-plane"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
@@ -48,7 +48,7 @@
     <batches>10</batches>
     <source strength="1.0">
       <space origin="0.0 0.0 0.0" type="spherical">
-        <r parameters="0.0 0.0" type="uniform" />
+        <r parameters="0.0 0.0" type="uniform"/>
         <cos_theta type="discrete">
           <parameters>1.0 1.0</parameters>
         </cos_theta>
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true4.dat b/tests/regression_tests/unstructured_mesh/inputs_true4.dat
index 7006c0f41..843632fdd 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true4.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true4.dat
@@ -2,45 +2,45 @@
 <model>
   <materials>
     <material depletable="true" id="13" name="fuel">
-      <density units="g/cc" value="4.5" />
-      <nuclide ao="1.0" name="U235" />
+      <density units="g/cc" value="4.5"/>
+      <nuclide ao="1.0" name="U235"/>
     </material>
     <material id="14" name="zircaloy">
-      <density units="g/cc" value="5.77" />
-      <nuclide ao="0.5145" name="Zr90" />
-      <nuclide ao="0.1122" name="Zr91" />
-      <nuclide ao="0.1715" name="Zr92" />
-      <nuclide ao="0.1738" name="Zr94" />
-      <nuclide ao="0.028" name="Zr96" />
+      <density units="g/cc" value="5.77"/>
+      <nuclide ao="0.5145" name="Zr90"/>
+      <nuclide ao="0.1122" name="Zr91"/>
+      <nuclide ao="0.1715" name="Zr92"/>
+      <nuclide ao="0.1738" name="Zr94"/>
+      <nuclide ao="0.028" name="Zr96"/>
     </material>
     <material id="15" name="water">
-      <density units="atom/b-cm" value="0.07416" />
-      <nuclide ao="2.0" name="H1" />
-      <nuclide ao="1.0" name="O16" />
+      <density units="atom/b-cm" value="0.07416"/>
+      <nuclide ao="2.0" name="H1"/>
+      <nuclide ao="1.0" name="O16"/>
     </material>
   </materials>
   <geometry>
-    <cell id="13" material="13" name="fuel" region="73 -74 75 -76 77 -78" universe="5" />
-    <cell id="14" material="14" name="clad" region="(-73 | 74 | -75 | 76 | -77 | 78) (79 -80 81 -82 83 -84)" universe="5" />
-    <cell id="15" material="15" name="water" region="(-79 | 80 | -81 | 82 | -83 | 84) (85 -86 87 -88 89 -90)" universe="5" />
-    <surface coeffs="-5.0" id="73" name="minimum x" type="x-plane" />
-    <surface coeffs="5.0" id="74" name="maximum x" type="x-plane" />
-    <surface coeffs="-5.0" id="75" name="minimum y" type="y-plane" />
-    <surface coeffs="5.0" id="76" name="maximum y" type="y-plane" />
-    <surface coeffs="-5.0" id="77" name="minimum z" type="z-plane" />
-    <surface coeffs="5.0" id="78" name="maximum z" type="z-plane" />
-    <surface coeffs="-6.0" id="79" name="minimum x" type="x-plane" />
-    <surface coeffs="6.0" id="80" name="maximum x" type="x-plane" />
-    <surface coeffs="-6.0" id="81" name="minimum y" type="y-plane" />
-    <surface coeffs="6.0" id="82" name="maximum y" type="y-plane" />
-    <surface coeffs="-6.0" id="83" name="minimum z" type="z-plane" />
-    <surface coeffs="6.0" id="84" name="maximum z" type="z-plane" />
-    <surface boundary="vacuum" coeffs="-15" id="85" name="minimum x" type="x-plane" />
-    <surface boundary="vacuum" coeffs="15" id="86" name="maximum x" type="x-plane" />
-    <surface boundary="vacuum" coeffs="-15" id="87" name="minimum y" type="y-plane" />
-    <surface boundary="vacuum" coeffs="15" id="88" name="maximum y" type="y-plane" />
-    <surface boundary="vacuum" coeffs="-15" id="89" name="minimum z" type="z-plane" />
-    <surface boundary="vacuum" coeffs="15" id="90" name="maximum z" type="z-plane" />
+    <cell id="13" material="13" name="fuel" region="73 -74 75 -76 77 -78" universe="5"/>
+    <cell id="14" material="14" name="clad" region="(-73 | 74 | -75 | 76 | -77 | 78) (79 -80 81 -82 83 -84)" universe="5"/>
+    <cell id="15" material="15" name="water" region="(-79 | 80 | -81 | 82 | -83 | 84) (85 -86 87 -88 89 -90)" universe="5"/>
+    <surface coeffs="-5.0" id="73" name="minimum x" type="x-plane"/>
+    <surface coeffs="5.0" id="74" name="maximum x" type="x-plane"/>
+    <surface coeffs="-5.0" id="75" name="minimum y" type="y-plane"/>
+    <surface coeffs="5.0" id="76" name="maximum y" type="y-plane"/>
+    <surface coeffs="-5.0" id="77" name="minimum z" type="z-plane"/>
+    <surface coeffs="5.0" id="78" name="maximum z" type="z-plane"/>
+    <surface coeffs="-6.0" id="79" name="minimum x" type="x-plane"/>
+    <surface coeffs="6.0" id="80" name="maximum x" type="x-plane"/>
+    <surface coeffs="-6.0" id="81" name="minimum y" type="y-plane"/>
+    <surface coeffs="6.0" id="82" name="maximum y" type="y-plane"/>
+    <surface coeffs="-6.0" id="83" name="minimum z" type="z-plane"/>
+    <surface coeffs="6.0" id="84" name="maximum z" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="-15" id="85" name="minimum x" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="15" id="86" name="maximum x" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="-15" id="87" name="minimum y" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="15" id="88" name="maximum y" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="-15" id="89" name="minimum z" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="15" id="90" name="maximum z" type="z-plane"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
@@ -48,7 +48,7 @@
     <batches>10</batches>
     <source strength="1.0">
       <space origin="0.0 0.0 0.0" type="spherical">
-        <r parameters="0.0 0.0" type="uniform" />
+        <r parameters="0.0 0.0" type="uniform"/>
         <cos_theta type="discrete">
           <parameters>1.0 1.0</parameters>
         </cos_theta>
@@ -56,7 +56,7 @@
           <parameters>0.0 1.0</parameters>
         </phi>
       </space>
-      <angle reference_uvw="-1.0 0.0 0.0" type="monodirectional" />
+      <angle reference_uvw="-1.0 0.0 0.0" type="monodirectional"/>
       <energy type="discrete">
         <parameters>15000000.0 1.0</parameters>
       </energy>
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true5.dat b/tests/regression_tests/unstructured_mesh/inputs_true5.dat
index 6c20900fa..dc9129d98 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true5.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true5.dat
@@ -2,45 +2,45 @@
 <model>
   <materials>
     <material depletable="true" id="16" name="fuel">
-      <density units="g/cc" value="4.5" />
-      <nuclide ao="1.0" name="U235" />
+      <density units="g/cc" value="4.5"/>
+      <nuclide ao="1.0" name="U235"/>
     </material>
     <material id="17" name="zircaloy">
-      <density units="g/cc" value="5.77" />
-      <nuclide ao="0.5145" name="Zr90" />
-      <nuclide ao="0.1122" name="Zr91" />
-      <nuclide ao="0.1715" name="Zr92" />
-      <nuclide ao="0.1738" name="Zr94" />
-      <nuclide ao="0.028" name="Zr96" />
+      <density units="g/cc" value="5.77"/>
+      <nuclide ao="0.5145" name="Zr90"/>
+      <nuclide ao="0.1122" name="Zr91"/>
+      <nuclide ao="0.1715" name="Zr92"/>
+      <nuclide ao="0.1738" name="Zr94"/>
+      <nuclide ao="0.028" name="Zr96"/>
     </material>
     <material id="18" name="water">
-      <density units="atom/b-cm" value="0.07416" />
-      <nuclide ao="2.0" name="H1" />
-      <nuclide ao="1.0" name="O16" />
+      <density units="atom/b-cm" value="0.07416"/>
+      <nuclide ao="2.0" name="H1"/>
+      <nuclide ao="1.0" name="O16"/>
     </material>
   </materials>
   <geometry>
-    <cell id="16" material="16" name="fuel" region="91 -92 93 -94 95 -96" universe="6" />
-    <cell id="17" material="17" name="clad" region="(-91 | 92 | -93 | 94 | -95 | 96) (97 -98 99 -100 101 -102)" universe="6" />
-    <cell id="18" material="18" name="water" region="(-97 | 98 | -99 | 100 | -101 | 102) (103 -104 105 -106 107 -108)" universe="6" />
-    <surface coeffs="-5.0" id="91" name="minimum x" type="x-plane" />
-    <surface coeffs="5.0" id="92" name="maximum x" type="x-plane" />
-    <surface coeffs="-5.0" id="93" name="minimum y" type="y-plane" />
-    <surface coeffs="5.0" id="94" name="maximum y" type="y-plane" />
-    <surface coeffs="-5.0" id="95" name="minimum z" type="z-plane" />
-    <surface coeffs="5.0" id="96" name="maximum z" type="z-plane" />
-    <surface coeffs="-6.0" id="97" name="minimum x" type="x-plane" />
-    <surface coeffs="6.0" id="98" name="maximum x" type="x-plane" />
-    <surface coeffs="-6.0" id="99" name="minimum y" type="y-plane" />
-    <surface coeffs="6.0" id="100" name="maximum y" type="y-plane" />
-    <surface coeffs="-6.0" id="101" name="minimum z" type="z-plane" />
-    <surface coeffs="6.0" id="102" name="maximum z" type="z-plane" />
-    <surface boundary="vacuum" coeffs="-15" id="103" name="minimum x" type="x-plane" />
-    <surface boundary="vacuum" coeffs="15" id="104" name="maximum x" type="x-plane" />
-    <surface boundary="vacuum" coeffs="-15" id="105" name="minimum y" type="y-plane" />
-    <surface boundary="vacuum" coeffs="15" id="106" name="maximum y" type="y-plane" />
-    <surface boundary="vacuum" coeffs="-15" id="107" name="minimum z" type="z-plane" />
-    <surface boundary="vacuum" coeffs="15" id="108" name="maximum z" type="z-plane" />
+    <cell id="16" material="16" name="fuel" region="91 -92 93 -94 95 -96" universe="6"/>
+    <cell id="17" material="17" name="clad" region="(-91 | 92 | -93 | 94 | -95 | 96) (97 -98 99 -100 101 -102)" universe="6"/>
+    <cell id="18" material="18" name="water" region="(-97 | 98 | -99 | 100 | -101 | 102) (103 -104 105 -106 107 -108)" universe="6"/>
+    <surface coeffs="-5.0" id="91" name="minimum x" type="x-plane"/>
+    <surface coeffs="5.0" id="92" name="maximum x" type="x-plane"/>
+    <surface coeffs="-5.0" id="93" name="minimum y" type="y-plane"/>
+    <surface coeffs="5.0" id="94" name="maximum y" type="y-plane"/>
+    <surface coeffs="-5.0" id="95" name="minimum z" type="z-plane"/>
+    <surface coeffs="5.0" id="96" name="maximum z" type="z-plane"/>
+    <surface coeffs="-6.0" id="97" name="minimum x" type="x-plane"/>
+    <surface coeffs="6.0" id="98" name="maximum x" type="x-plane"/>
+    <surface coeffs="-6.0" id="99" name="minimum y" type="y-plane"/>
+    <surface coeffs="6.0" id="100" name="maximum y" type="y-plane"/>
+    <surface coeffs="-6.0" id="101" name="minimum z" type="z-plane"/>
+    <surface coeffs="6.0" id="102" name="maximum z" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="-15" id="103" name="minimum x" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="15" id="104" name="maximum x" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="-15" id="105" name="minimum y" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="15" id="106" name="maximum y" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="-15" id="107" name="minimum z" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="15" id="108" name="maximum z" type="z-plane"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
@@ -48,7 +48,7 @@
     <batches>10</batches>
     <source strength="1.0">
       <space origin="0.0 0.0 0.0" type="spherical">
-        <r parameters="0.0 0.0" type="uniform" />
+        <r parameters="0.0 0.0" type="uniform"/>
         <cos_theta type="discrete">
           <parameters>1.0 1.0</parameters>
         </cos_theta>
@@ -56,7 +56,7 @@
           <parameters>0.0 1.0</parameters>
         </phi>
       </space>
-      <angle reference_uvw="-1.0 0.0 0.0" type="monodirectional" />
+      <angle reference_uvw="-1.0 0.0 0.0" type="monodirectional"/>
       <energy type="discrete">
         <parameters>15000000.0 1.0</parameters>
       </energy>
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true6.dat b/tests/regression_tests/unstructured_mesh/inputs_true6.dat
index e0be90360..82bc30703 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true6.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true6.dat
@@ -2,45 +2,45 @@
 <model>
   <materials>
     <material depletable="true" id="19" name="fuel">
-      <density units="g/cc" value="4.5" />
-      <nuclide ao="1.0" name="U235" />
+      <density units="g/cc" value="4.5"/>
+      <nuclide ao="1.0" name="U235"/>
     </material>
     <material id="20" name="zircaloy">
-      <density units="g/cc" value="5.77" />
-      <nuclide ao="0.5145" name="Zr90" />
-      <nuclide ao="0.1122" name="Zr91" />
-      <nuclide ao="0.1715" name="Zr92" />
-      <nuclide ao="0.1738" name="Zr94" />
-      <nuclide ao="0.028" name="Zr96" />
+      <density units="g/cc" value="5.77"/>
+      <nuclide ao="0.5145" name="Zr90"/>
+      <nuclide ao="0.1122" name="Zr91"/>
+      <nuclide ao="0.1715" name="Zr92"/>
+      <nuclide ao="0.1738" name="Zr94"/>
+      <nuclide ao="0.028" name="Zr96"/>
     </material>
     <material id="21" name="water">
-      <density units="atom/b-cm" value="0.07416" />
-      <nuclide ao="2.0" name="H1" />
-      <nuclide ao="1.0" name="O16" />
+      <density units="atom/b-cm" value="0.07416"/>
+      <nuclide ao="2.0" name="H1"/>
+      <nuclide ao="1.0" name="O16"/>
     </material>
   </materials>
   <geometry>
-    <cell id="19" material="19" name="fuel" region="109 -110 111 -112 113 -114" universe="7" />
-    <cell id="20" material="20" name="clad" region="(-109 | 110 | -111 | 112 | -113 | 114) (115 -116 117 -118 119 -120)" universe="7" />
-    <cell id="21" material="21" name="water" region="(-115 | 116 | -117 | 118 | -119 | 120) (121 -122 123 -124 125 -126)" universe="7" />
-    <surface coeffs="-5.0" id="109" name="minimum x" type="x-plane" />
-    <surface coeffs="5.0" id="110" name="maximum x" type="x-plane" />
-    <surface coeffs="-5.0" id="111" name="minimum y" type="y-plane" />
-    <surface coeffs="5.0" id="112" name="maximum y" type="y-plane" />
-    <surface coeffs="-5.0" id="113" name="minimum z" type="z-plane" />
-    <surface coeffs="5.0" id="114" name="maximum z" type="z-plane" />
-    <surface coeffs="-6.0" id="115" name="minimum x" type="x-plane" />
-    <surface coeffs="6.0" id="116" name="maximum x" type="x-plane" />
-    <surface coeffs="-6.0" id="117" name="minimum y" type="y-plane" />
-    <surface coeffs="6.0" id="118" name="maximum y" type="y-plane" />
-    <surface coeffs="-6.0" id="119" name="minimum z" type="z-plane" />
-    <surface coeffs="6.0" id="120" name="maximum z" type="z-plane" />
-    <surface boundary="vacuum" coeffs="-10" id="121" name="minimum x" type="x-plane" />
-    <surface boundary="vacuum" coeffs="10" id="122" name="maximum x" type="x-plane" />
-    <surface boundary="vacuum" coeffs="-10" id="123" name="minimum y" type="y-plane" />
-    <surface boundary="vacuum" coeffs="10" id="124" name="maximum y" type="y-plane" />
-    <surface boundary="vacuum" coeffs="-10" id="125" name="minimum z" type="z-plane" />
-    <surface boundary="vacuum" coeffs="10" id="126" name="maximum z" type="z-plane" />
+    <cell id="19" material="19" name="fuel" region="109 -110 111 -112 113 -114" universe="7"/>
+    <cell id="20" material="20" name="clad" region="(-109 | 110 | -111 | 112 | -113 | 114) (115 -116 117 -118 119 -120)" universe="7"/>
+    <cell id="21" material="21" name="water" region="(-115 | 116 | -117 | 118 | -119 | 120) (121 -122 123 -124 125 -126)" universe="7"/>
+    <surface coeffs="-5.0" id="109" name="minimum x" type="x-plane"/>
+    <surface coeffs="5.0" id="110" name="maximum x" type="x-plane"/>
+    <surface coeffs="-5.0" id="111" name="minimum y" type="y-plane"/>
+    <surface coeffs="5.0" id="112" name="maximum y" type="y-plane"/>
+    <surface coeffs="-5.0" id="113" name="minimum z" type="z-plane"/>
+    <surface coeffs="5.0" id="114" name="maximum z" type="z-plane"/>
+    <surface coeffs="-6.0" id="115" name="minimum x" type="x-plane"/>
+    <surface coeffs="6.0" id="116" name="maximum x" type="x-plane"/>
+    <surface coeffs="-6.0" id="117" name="minimum y" type="y-plane"/>
+    <surface coeffs="6.0" id="118" name="maximum y" type="y-plane"/>
+    <surface coeffs="-6.0" id="119" name="minimum z" type="z-plane"/>
+    <surface coeffs="6.0" id="120" name="maximum z" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="-10" id="121" name="minimum x" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="10" id="122" name="maximum x" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="-10" id="123" name="minimum y" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="10" id="124" name="maximum y" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="-10" id="125" name="minimum z" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="10" id="126" name="maximum z" type="z-plane"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
@@ -48,7 +48,7 @@
     <batches>10</batches>
     <source strength="1.0">
       <space origin="0.0 0.0 0.0" type="spherical">
-        <r parameters="0.0 0.0" type="uniform" />
+        <r parameters="0.0 0.0" type="uniform"/>
         <cos_theta type="discrete">
           <parameters>1.0 1.0</parameters>
         </cos_theta>
@@ -56,7 +56,7 @@
           <parameters>0.0 1.0</parameters>
         </phi>
       </space>
-      <angle reference_uvw="-1.0 0.0 0.0" type="monodirectional" />
+      <angle reference_uvw="-1.0 0.0 0.0" type="monodirectional"/>
       <energy type="discrete">
         <parameters>15000000.0 1.0</parameters>
       </energy>
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true7.dat b/tests/regression_tests/unstructured_mesh/inputs_true7.dat
index 3a4cc1b83..b982c40d0 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true7.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true7.dat
@@ -2,45 +2,45 @@
 <model>
   <materials>
     <material depletable="true" id="22" name="fuel">
-      <density units="g/cc" value="4.5" />
-      <nuclide ao="1.0" name="U235" />
+      <density units="g/cc" value="4.5"/>
+      <nuclide ao="1.0" name="U235"/>
     </material>
     <material id="23" name="zircaloy">
-      <density units="g/cc" value="5.77" />
-      <nuclide ao="0.5145" name="Zr90" />
-      <nuclide ao="0.1122" name="Zr91" />
-      <nuclide ao="0.1715" name="Zr92" />
-      <nuclide ao="0.1738" name="Zr94" />
-      <nuclide ao="0.028" name="Zr96" />
+      <density units="g/cc" value="5.77"/>
+      <nuclide ao="0.5145" name="Zr90"/>
+      <nuclide ao="0.1122" name="Zr91"/>
+      <nuclide ao="0.1715" name="Zr92"/>
+      <nuclide ao="0.1738" name="Zr94"/>
+      <nuclide ao="0.028" name="Zr96"/>
     </material>
     <material id="24" name="water">
-      <density units="atom/b-cm" value="0.07416" />
-      <nuclide ao="2.0" name="H1" />
-      <nuclide ao="1.0" name="O16" />
+      <density units="atom/b-cm" value="0.07416"/>
+      <nuclide ao="2.0" name="H1"/>
+      <nuclide ao="1.0" name="O16"/>
     </material>
   </materials>
   <geometry>
-    <cell id="22" material="22" name="fuel" region="127 -128 129 -130 131 -132" universe="8" />
-    <cell id="23" material="23" name="clad" region="(-127 | 128 | -129 | 130 | -131 | 132) (133 -134 135 -136 137 -138)" universe="8" />
-    <cell id="24" material="24" name="water" region="(-133 | 134 | -135 | 136 | -137 | 138) (139 -140 141 -142 143 -144)" universe="8" />
-    <surface coeffs="-5.0" id="127" name="minimum x" type="x-plane" />
-    <surface coeffs="5.0" id="128" name="maximum x" type="x-plane" />
-    <surface coeffs="-5.0" id="129" name="minimum y" type="y-plane" />
-    <surface coeffs="5.0" id="130" name="maximum y" type="y-plane" />
-    <surface coeffs="-5.0" id="131" name="minimum z" type="z-plane" />
-    <surface coeffs="5.0" id="132" name="maximum z" type="z-plane" />
-    <surface coeffs="-6.0" id="133" name="minimum x" type="x-plane" />
-    <surface coeffs="6.0" id="134" name="maximum x" type="x-plane" />
-    <surface coeffs="-6.0" id="135" name="minimum y" type="y-plane" />
-    <surface coeffs="6.0" id="136" name="maximum y" type="y-plane" />
-    <surface coeffs="-6.0" id="137" name="minimum z" type="z-plane" />
-    <surface coeffs="6.0" id="138" name="maximum z" type="z-plane" />
-    <surface boundary="vacuum" coeffs="-10" id="139" name="minimum x" type="x-plane" />
-    <surface boundary="vacuum" coeffs="10" id="140" name="maximum x" type="x-plane" />
-    <surface boundary="vacuum" coeffs="-10" id="141" name="minimum y" type="y-plane" />
-    <surface boundary="vacuum" coeffs="10" id="142" name="maximum y" type="y-plane" />
-    <surface boundary="vacuum" coeffs="-10" id="143" name="minimum z" type="z-plane" />
-    <surface boundary="vacuum" coeffs="10" id="144" name="maximum z" type="z-plane" />
+    <cell id="22" material="22" name="fuel" region="127 -128 129 -130 131 -132" universe="8"/>
+    <cell id="23" material="23" name="clad" region="(-127 | 128 | -129 | 130 | -131 | 132) (133 -134 135 -136 137 -138)" universe="8"/>
+    <cell id="24" material="24" name="water" region="(-133 | 134 | -135 | 136 | -137 | 138) (139 -140 141 -142 143 -144)" universe="8"/>
+    <surface coeffs="-5.0" id="127" name="minimum x" type="x-plane"/>
+    <surface coeffs="5.0" id="128" name="maximum x" type="x-plane"/>
+    <surface coeffs="-5.0" id="129" name="minimum y" type="y-plane"/>
+    <surface coeffs="5.0" id="130" name="maximum y" type="y-plane"/>
+    <surface coeffs="-5.0" id="131" name="minimum z" type="z-plane"/>
+    <surface coeffs="5.0" id="132" name="maximum z" type="z-plane"/>
+    <surface coeffs="-6.0" id="133" name="minimum x" type="x-plane"/>
+    <surface coeffs="6.0" id="134" name="maximum x" type="x-plane"/>
+    <surface coeffs="-6.0" id="135" name="minimum y" type="y-plane"/>
+    <surface coeffs="6.0" id="136" name="maximum y" type="y-plane"/>
+    <surface coeffs="-6.0" id="137" name="minimum z" type="z-plane"/>
+    <surface coeffs="6.0" id="138" name="maximum z" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="-10" id="139" name="minimum x" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="10" id="140" name="maximum x" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="-10" id="141" name="minimum y" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="10" id="142" name="maximum y" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="-10" id="143" name="minimum z" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="10" id="144" name="maximum z" type="z-plane"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
@@ -48,7 +48,7 @@
     <batches>10</batches>
     <source strength="1.0">
       <space origin="0.0 0.0 0.0" type="spherical">
-        <r parameters="0.0 0.0" type="uniform" />
+        <r parameters="0.0 0.0" type="uniform"/>
         <cos_theta type="discrete">
           <parameters>1.0 1.0</parameters>
         </cos_theta>
@@ -56,7 +56,7 @@
           <parameters>0.0 1.0</parameters>
         </phi>
       </space>
-      <angle reference_uvw="-1.0 0.0 0.0" type="monodirectional" />
+      <angle reference_uvw="-1.0 0.0 0.0" type="monodirectional"/>
       <energy type="discrete">
         <parameters>15000000.0 1.0</parameters>
       </energy>
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true8.dat b/tests/regression_tests/unstructured_mesh/inputs_true8.dat
index bd19a95ae..1e3b6cb83 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true8.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true8.dat
@@ -2,45 +2,45 @@
 <model>
   <materials>
     <material depletable="true" id="1" name="fuel">
-      <density units="g/cc" value="4.5" />
-      <nuclide ao="1.0" name="U235" />
+      <density units="g/cc" value="4.5"/>
+      <nuclide ao="1.0" name="U235"/>
     </material>
     <material id="2" name="zircaloy">
-      <density units="g/cc" value="5.77" />
-      <nuclide ao="0.5145" name="Zr90" />
-      <nuclide ao="0.1122" name="Zr91" />
-      <nuclide ao="0.1715" name="Zr92" />
-      <nuclide ao="0.1738" name="Zr94" />
-      <nuclide ao="0.028" name="Zr96" />
+      <density units="g/cc" value="5.77"/>
+      <nuclide ao="0.5145" name="Zr90"/>
+      <nuclide ao="0.1122" name="Zr91"/>
+      <nuclide ao="0.1715" name="Zr92"/>
+      <nuclide ao="0.1738" name="Zr94"/>
+      <nuclide ao="0.028" name="Zr96"/>
     </material>
     <material id="3" name="water">
-      <density units="atom/b-cm" value="0.07416" />
-      <nuclide ao="2.0" name="H1" />
-      <nuclide ao="1.0" name="O16" />
+      <density units="atom/b-cm" value="0.07416"/>
+      <nuclide ao="2.0" name="H1"/>
+      <nuclide ao="1.0" name="O16"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="fuel" region="1 -2 3 -4 5 -6" universe="1" />
-    <cell id="2" material="2" name="clad" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1" />
-    <cell id="3" material="3" name="water" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1" />
-    <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane" />
-    <surface coeffs="5.0" id="2" name="maximum x" type="x-plane" />
-    <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane" />
-    <surface coeffs="5.0" id="4" name="maximum y" type="y-plane" />
-    <surface coeffs="-5.0" id="5" name="minimum z" type="z-plane" />
-    <surface coeffs="5.0" id="6" name="maximum z" type="z-plane" />
-    <surface coeffs="-6.0" id="7" name="minimum x" type="x-plane" />
-    <surface coeffs="6.0" id="8" name="maximum x" type="x-plane" />
-    <surface coeffs="-6.0" id="9" name="minimum y" type="y-plane" />
-    <surface coeffs="6.0" id="10" name="maximum y" type="y-plane" />
-    <surface coeffs="-6.0" id="11" name="minimum z" type="z-plane" />
-    <surface coeffs="6.0" id="12" name="maximum z" type="z-plane" />
-    <surface boundary="vacuum" coeffs="-15.0" id="13" name="minimum x" type="x-plane" />
-    <surface boundary="vacuum" coeffs="15.0" id="14" name="maximum x" type="x-plane" />
-    <surface boundary="vacuum" coeffs="-15.0" id="15" name="minimum y" type="y-plane" />
-    <surface boundary="vacuum" coeffs="15.0" id="16" name="maximum y" type="y-plane" />
-    <surface boundary="vacuum" coeffs="-15.0" id="17" name="minimum z" type="z-plane" />
-    <surface boundary="vacuum" coeffs="15.0" id="18" name="maximum z" type="z-plane" />
+    <cell id="1" material="1" name="fuel" region="1 -2 3 -4 5 -6" universe="1"/>
+    <cell id="2" material="2" name="clad" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1"/>
+    <cell id="3" material="3" name="water" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1"/>
+    <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane"/>
+    <surface coeffs="5.0" id="2" name="maximum x" type="x-plane"/>
+    <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane"/>
+    <surface coeffs="5.0" id="4" name="maximum y" type="y-plane"/>
+    <surface coeffs="-5.0" id="5" name="minimum z" type="z-plane"/>
+    <surface coeffs="5.0" id="6" name="maximum z" type="z-plane"/>
+    <surface coeffs="-6.0" id="7" name="minimum x" type="x-plane"/>
+    <surface coeffs="6.0" id="8" name="maximum x" type="x-plane"/>
+    <surface coeffs="-6.0" id="9" name="minimum y" type="y-plane"/>
+    <surface coeffs="6.0" id="10" name="maximum y" type="y-plane"/>
+    <surface coeffs="-6.0" id="11" name="minimum z" type="z-plane"/>
+    <surface coeffs="6.0" id="12" name="maximum z" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="-15.0" id="13" name="minimum x" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="15.0" id="14" name="maximum x" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="-15.0" id="15" name="minimum y" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="15.0" id="16" name="maximum y" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="-15.0" id="17" name="minimum z" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="15.0" id="18" name="maximum z" type="z-plane"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
@@ -48,7 +48,7 @@
     <batches>10</batches>
     <source strength="1.0">
       <space origin="0.0 0.0 0.0" type="spherical">
-        <r parameters="0.0 0.0" type="uniform" />
+        <r parameters="0.0 0.0" type="uniform"/>
         <cos_theta type="discrete">
           <parameters>1.0 1.0</parameters>
         </cos_theta>
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true9.dat b/tests/regression_tests/unstructured_mesh/inputs_true9.dat
index 2e595a96c..cb35eb186 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true9.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true9.dat
@@ -2,45 +2,45 @@
 <model>
   <materials>
     <material depletable="true" id="1" name="fuel">
-      <density units="g/cc" value="4.5" />
-      <nuclide ao="1.0" name="U235" />
+      <density units="g/cc" value="4.5"/>
+      <nuclide ao="1.0" name="U235"/>
     </material>
     <material id="2" name="zircaloy">
-      <density units="g/cc" value="5.77" />
-      <nuclide ao="0.5145" name="Zr90" />
-      <nuclide ao="0.1122" name="Zr91" />
-      <nuclide ao="0.1715" name="Zr92" />
-      <nuclide ao="0.1738" name="Zr94" />
-      <nuclide ao="0.028" name="Zr96" />
+      <density units="g/cc" value="5.77"/>
+      <nuclide ao="0.5145" name="Zr90"/>
+      <nuclide ao="0.1122" name="Zr91"/>
+      <nuclide ao="0.1715" name="Zr92"/>
+      <nuclide ao="0.1738" name="Zr94"/>
+      <nuclide ao="0.028" name="Zr96"/>
     </material>
     <material id="3" name="water">
-      <density units="atom/b-cm" value="0.07416" />
-      <nuclide ao="2.0" name="H1" />
-      <nuclide ao="1.0" name="O16" />
+      <density units="atom/b-cm" value="0.07416"/>
+      <nuclide ao="2.0" name="H1"/>
+      <nuclide ao="1.0" name="O16"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="fuel" region="1 -2 3 -4 5 -6" universe="1" />
-    <cell id="2" material="2" name="clad" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1" />
-    <cell id="3" material="3" name="water" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1" />
-    <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane" />
-    <surface coeffs="5.0" id="2" name="maximum x" type="x-plane" />
-    <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane" />
-    <surface coeffs="5.0" id="4" name="maximum y" type="y-plane" />
-    <surface coeffs="-5.0" id="5" name="minimum z" type="z-plane" />
-    <surface coeffs="5.0" id="6" name="maximum z" type="z-plane" />
-    <surface coeffs="-6.0" id="7" name="minimum x" type="x-plane" />
-    <surface coeffs="6.0" id="8" name="maximum x" type="x-plane" />
-    <surface coeffs="-6.0" id="9" name="minimum y" type="y-plane" />
-    <surface coeffs="6.0" id="10" name="maximum y" type="y-plane" />
-    <surface coeffs="-6.0" id="11" name="minimum z" type="z-plane" />
-    <surface coeffs="6.0" id="12" name="maximum z" type="z-plane" />
-    <surface boundary="vacuum" coeffs="-15.0" id="13" name="minimum x" type="x-plane" />
-    <surface boundary="vacuum" coeffs="15.0" id="14" name="maximum x" type="x-plane" />
-    <surface boundary="vacuum" coeffs="-15.0" id="15" name="minimum y" type="y-plane" />
-    <surface boundary="vacuum" coeffs="15.0" id="16" name="maximum y" type="y-plane" />
-    <surface boundary="vacuum" coeffs="-15.0" id="17" name="minimum z" type="z-plane" />
-    <surface boundary="vacuum" coeffs="15.0" id="18" name="maximum z" type="z-plane" />
+    <cell id="1" material="1" name="fuel" region="1 -2 3 -4 5 -6" universe="1"/>
+    <cell id="2" material="2" name="clad" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1"/>
+    <cell id="3" material="3" name="water" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1"/>
+    <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane"/>
+    <surface coeffs="5.0" id="2" name="maximum x" type="x-plane"/>
+    <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane"/>
+    <surface coeffs="5.0" id="4" name="maximum y" type="y-plane"/>
+    <surface coeffs="-5.0" id="5" name="minimum z" type="z-plane"/>
+    <surface coeffs="5.0" id="6" name="maximum z" type="z-plane"/>
+    <surface coeffs="-6.0" id="7" name="minimum x" type="x-plane"/>
+    <surface coeffs="6.0" id="8" name="maximum x" type="x-plane"/>
+    <surface coeffs="-6.0" id="9" name="minimum y" type="y-plane"/>
+    <surface coeffs="6.0" id="10" name="maximum y" type="y-plane"/>
+    <surface coeffs="-6.0" id="11" name="minimum z" type="z-plane"/>
+    <surface coeffs="6.0" id="12" name="maximum z" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="-15.0" id="13" name="minimum x" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="15.0" id="14" name="maximum x" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="-15.0" id="15" name="minimum y" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="15.0" id="16" name="maximum y" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="-15.0" id="17" name="minimum z" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="15.0" id="18" name="maximum z" type="z-plane"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
@@ -48,7 +48,7 @@
     <batches>10</batches>
     <source strength="1.0">
       <space origin="0.0 0.0 0.0" type="spherical">
-        <r parameters="0.0 0.0" type="uniform" />
+        <r parameters="0.0 0.0" type="uniform"/>
         <cos_theta type="discrete">
           <parameters>1.0 1.0</parameters>
         </cos_theta>
diff --git a/tests/regression_tests/void/inputs_true.dat b/tests/regression_tests/void/inputs_true.dat
index 443c168bd..4e996c71d 100644
--- a/tests/regression_tests/void/inputs_true.dat
+++ b/tests/regression_tests/void/inputs_true.dat
@@ -2,112 +2,112 @@
 <model>
   <materials>
     <material id="1">
-      <density units="g/cm3" value="7.14" />
-      <nuclide ao="1.0" name="Zn64" />
+      <density units="g/cm3" value="7.14"/>
+      <nuclide ao="1.0" name="Zn64"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" region="-1" universe="1" />
-    <cell id="2" material="void" region="1 -2" universe="1" />
-    <cell id="3" material="1" region="2 -3" universe="1" />
-    <cell id="4" material="void" region="3 -4" universe="1" />
-    <cell id="5" material="1" region="4 -5" universe="1" />
-    <cell id="6" material="void" region="5 -6" universe="1" />
-    <cell id="7" material="1" region="6 -7" universe="1" />
-    <cell id="8" material="void" region="7 -8" universe="1" />
-    <cell id="9" material="1" region="8 -9" universe="1" />
-    <cell id="10" material="void" region="9 -10" universe="1" />
-    <cell id="11" material="1" region="10 -11" universe="1" />
-    <cell id="12" material="void" region="11 -12" universe="1" />
-    <cell id="13" material="1" region="12 -13" universe="1" />
-    <cell id="14" material="void" region="13 -14" universe="1" />
-    <cell id="15" material="1" region="14 -15" universe="1" />
-    <cell id="16" material="void" region="15 -16" universe="1" />
-    <cell id="17" material="1" region="16 -17" universe="1" />
-    <cell id="18" material="void" region="17 -18" universe="1" />
-    <cell id="19" material="1" region="18 -19" universe="1" />
-    <cell id="20" material="void" region="19 -20" universe="1" />
-    <cell id="21" material="1" region="20 -21" universe="1" />
-    <cell id="22" material="void" region="21 -22" universe="1" />
-    <cell id="23" material="1" region="22 -23" universe="1" />
-    <cell id="24" material="void" region="23 -24" universe="1" />
-    <cell id="25" material="1" region="24 -25" universe="1" />
-    <cell id="26" material="void" region="25 -26" universe="1" />
-    <cell id="27" material="1" region="26 -27" universe="1" />
-    <cell id="28" material="void" region="27 -28" universe="1" />
-    <cell id="29" material="1" region="28 -29" universe="1" />
-    <cell id="30" material="void" region="29 -30" universe="1" />
-    <cell id="31" material="1" region="30 -31" universe="1" />
-    <cell id="32" material="void" region="31 -32" universe="1" />
-    <cell id="33" material="1" region="32 -33" universe="1" />
-    <cell id="34" material="void" region="33 -34" universe="1" />
-    <cell id="35" material="1" region="34 -35" universe="1" />
-    <cell id="36" material="void" region="35 -36" universe="1" />
-    <cell id="37" material="1" region="36 -37" universe="1" />
-    <cell id="38" material="void" region="37 -38" universe="1" />
-    <cell id="39" material="1" region="38 -39" universe="1" />
-    <cell id="40" material="void" region="39 -40" universe="1" />
-    <cell id="41" material="1" region="40 -41" universe="1" />
-    <cell id="42" material="void" region="41 -42" universe="1" />
-    <cell id="43" material="1" region="42 -43" universe="1" />
-    <cell id="44" material="void" region="43 -44" universe="1" />
-    <cell id="45" material="1" region="44 -45" universe="1" />
-    <cell id="46" material="void" region="45 -46" universe="1" />
-    <cell id="47" material="1" region="46 -47" universe="1" />
-    <cell id="48" material="void" region="47 -48" universe="1" />
-    <cell id="49" material="1" region="48 -49" universe="1" />
-    <cell id="50" material="void" region="49 -50" universe="1" />
-    <cell id="51" material="1" region="50" universe="1" />
-    <surface coeffs="0.0 0.0 0.0 1.0" id="1" type="sphere" />
-    <surface coeffs="0.0 0.0 0.0 3.020408163265306" id="2" type="sphere" />
-    <surface coeffs="0.0 0.0 0.0 5.040816326530612" id="3" type="sphere" />
-    <surface coeffs="0.0 0.0 0.0 7.061224489795918" id="4" type="sphere" />
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+    <cell id="2" material="void" region="1 -2" universe="1"/>
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+    <surface coeffs="0.0 0.0 0.0 91.91836734693877" id="46" type="sphere"/>
+    <surface coeffs="0.0 0.0 0.0 93.93877551020407" id="47" type="sphere"/>
+    <surface coeffs="0.0 0.0 0.0 95.95918367346938" id="48" type="sphere"/>
+    <surface coeffs="0.0 0.0 0.0 97.97959183673468" id="49" type="sphere"/>
+    <surface boundary="vacuum" coeffs="0.0 0.0 0.0 100.0" id="50" type="sphere"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
diff --git a/tests/regression_tests/volume_calc/inputs_true.dat b/tests/regression_tests/volume_calc/inputs_true.dat
index 879e05b8f..e3a8162e3 100644
--- a/tests/regression_tests/volume_calc/inputs_true.dat
+++ b/tests/regression_tests/volume_calc/inputs_true.dat
@@ -2,27 +2,27 @@
 <model>
   <materials>
     <material id="1">
-      <density units="g/cc" value="1.0" />
-      <nuclide ao="2.0" name="H1" />
-      <nuclide ao="1.0" name="O16" />
-      <nuclide ao="0.0001" name="B10" />
-      <sab name="c_H_in_H2O" />
+      <density units="g/cc" value="1.0"/>
+      <nuclide ao="2.0" name="H1"/>
+      <nuclide ao="1.0" name="O16"/>
+      <nuclide ao="0.0001" name="B10"/>
+      <sab name="c_H_in_H2O"/>
     </material>
     <material depletable="true" id="2">
-      <density units="g/cc" value="4.5" />
-      <nuclide ao="1.0" name="U235" />
-      <nuclide ao="0.1" name="Mo99" />
+      <density units="g/cc" value="4.5"/>
+      <nuclide ao="1.0" name="U235"/>
+      <nuclide ao="0.1" name="Mo99"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="2" region="-1 -3 5" universe="0" />
-    <cell id="2" material="1" region="-2 3" universe="0" />
-    <cell id="3" material="1" region="-4 -3" universe="0" />
-    <surface boundary="vacuum" coeffs="0.0 0.0 1.0" id="1" type="z-cylinder" />
-    <surface boundary="vacuum" coeffs="0.0 0.0 5.0 1.0" id="2" type="sphere" />
-    <surface coeffs="5.0" id="3" type="z-plane" />
-    <surface boundary="vacuum" coeffs="0.0 0.0 -5.0 1.0" id="4" type="sphere" />
-    <surface coeffs="-5.0" id="5" type="z-plane" />
+    <cell id="1" material="2" region="-1 -3 5" universe="0"/>
+    <cell id="2" material="1" region="-2 3" universe="0"/>
+    <cell id="3" material="1" region="-4 -3" universe="0"/>
+    <surface boundary="vacuum" coeffs="0.0 0.0 1.0" id="1" type="z-cylinder"/>
+    <surface boundary="vacuum" coeffs="0.0 0.0 5.0 1.0" id="2" type="sphere"/>
+    <surface coeffs="5.0" id="3" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="0.0 0.0 -5.0 1.0" id="4" type="sphere"/>
+    <surface coeffs="-5.0" id="5" type="z-plane"/>
   </geometry>
   <settings>
     <run_mode>volume</run_mode>
@@ -53,7 +53,7 @@
       <samples>100</samples>
       <lower_left>-1.0 -1.0 -6.0</lower_left>
       <upper_right>1.0 1.0 6.0</upper_right>
-      <threshold threshold="0.1" type="std_dev" />
+      <threshold threshold="0.1" type="std_dev"/>
     </volume_calc>
     <volume_calc>
       <domain_type>material</domain_type>
@@ -61,7 +61,7 @@
       <samples>100</samples>
       <lower_left>-1.0 -1.0 -6.0</lower_left>
       <upper_right>1.0 1.0 6.0</upper_right>
-      <threshold threshold="0.1" type="rel_err" />
+      <threshold threshold="0.1" type="rel_err"/>
     </volume_calc>
     <volume_calc>
       <domain_type>cell</domain_type>
@@ -69,7 +69,7 @@
       <samples>100</samples>
       <lower_left>-1.0 -1.0 -6.0</lower_left>
       <upper_right>1.0 1.0 6.0</upper_right>
-      <threshold threshold="0.05" type="variance" />
+      <threshold threshold="0.05" type="variance"/>
     </volume_calc>
   </settings>
   </model>
diff --git a/tests/regression_tests/volume_calc/inputs_true_mg.dat b/tests/regression_tests/volume_calc/inputs_true_mg.dat
index f114bd8c2..2ace5cd3c 100644
--- a/tests/regression_tests/volume_calc/inputs_true_mg.dat
+++ b/tests/regression_tests/volume_calc/inputs_true_mg.dat
@@ -3,26 +3,26 @@
   <materials>
     <cross_sections>mg_lib.h5</cross_sections>
     <material id="1">
-      <density units="g/cc" value="1.0" />
-      <nuclide ao="2.0" name="H1" />
-      <nuclide ao="1.0" name="O16" />
-      <nuclide ao="0.0001" name="B10" />
+      <density units="g/cc" value="1.0"/>
+      <nuclide ao="2.0" name="H1"/>
+      <nuclide ao="1.0" name="O16"/>
+      <nuclide ao="0.0001" name="B10"/>
     </material>
     <material depletable="true" id="2">
-      <density units="g/cc" value="4.5" />
-      <nuclide ao="1.0" name="U235" />
-      <nuclide ao="0.1" name="Mo99" />
+      <density units="g/cc" value="4.5"/>
+      <nuclide ao="1.0" name="U235"/>
+      <nuclide ao="0.1" name="Mo99"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="2" region="-1 -3 5" universe="0" />
-    <cell id="2" material="1" region="-2 3" universe="0" />
-    <cell id="3" material="1" region="-4 -3" universe="0" />
-    <surface boundary="vacuum" coeffs="0.0 0.0 1.0" id="1" type="z-cylinder" />
-    <surface boundary="vacuum" coeffs="0.0 0.0 5.0 1.0" id="2" type="sphere" />
-    <surface coeffs="5.0" id="3" type="z-plane" />
-    <surface boundary="vacuum" coeffs="0.0 0.0 -5.0 1.0" id="4" type="sphere" />
-    <surface coeffs="-5.0" id="5" type="z-plane" />
+    <cell id="1" material="2" region="-1 -3 5" universe="0"/>
+    <cell id="2" material="1" region="-2 3" universe="0"/>
+    <cell id="3" material="1" region="-4 -3" universe="0"/>
+    <surface boundary="vacuum" coeffs="0.0 0.0 1.0" id="1" type="z-cylinder"/>
+    <surface boundary="vacuum" coeffs="0.0 0.0 5.0 1.0" id="2" type="sphere"/>
+    <surface coeffs="5.0" id="3" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="0.0 0.0 -5.0 1.0" id="4" type="sphere"/>
+    <surface coeffs="-5.0" id="5" type="z-plane"/>
   </geometry>
   <settings>
     <run_mode>volume</run_mode>
@@ -54,7 +54,7 @@
       <samples>100</samples>
       <lower_left>-1.0 -1.0 -6.0</lower_left>
       <upper_right>1.0 1.0 6.0</upper_right>
-      <threshold threshold="0.1" type="std_dev" />
+      <threshold threshold="0.1" type="std_dev"/>
     </volume_calc>
     <volume_calc>
       <domain_type>material</domain_type>
@@ -62,7 +62,7 @@
       <samples>100</samples>
       <lower_left>-1.0 -1.0 -6.0</lower_left>
       <upper_right>1.0 1.0 6.0</upper_right>
-      <threshold threshold="0.1" type="rel_err" />
+      <threshold threshold="0.1" type="rel_err"/>
     </volume_calc>
     <volume_calc>
       <domain_type>cell</domain_type>
@@ -70,7 +70,7 @@
       <samples>100</samples>
       <lower_left>-1.0 -1.0 -6.0</lower_left>
       <upper_right>1.0 1.0 6.0</upper_right>
-      <threshold threshold="0.05" type="variance" />
+      <threshold threshold="0.05" type="variance"/>
     </volume_calc>
   </settings>
   </model>
diff --git a/tests/regression_tests/weightwindows/inputs_true.dat b/tests/regression_tests/weightwindows/inputs_true.dat
index 16f03a4a0..16966ccaf 100644
--- a/tests/regression_tests/weightwindows/inputs_true.dat
+++ b/tests/regression_tests/weightwindows/inputs_true.dat
@@ -2,33 +2,33 @@
 <model>
   <materials>
     <material id="1">
-      <density units="g/cc" value="2.3" />
-      <nuclide ao="0.168018676" name="H1" />
-      <nuclide ao="1.93244e-05" name="H2" />
-      <nuclide ao="0.561814465" name="O16" />
-      <nuclide ao="0.00021401" name="O17" />
-      <nuclide ao="0.021365" name="Na23" />
-      <nuclide ao="0.021343" name="Al27" />
-      <nuclide ao="0.187439342" name="Si28" />
-      <nuclide ao="0.009517714" name="Si29" />
-      <nuclide ao="0.006273944" name="Si30" />
-      <nuclide ao="0.018026179" name="Ca40" />
-      <nuclide ao="0.00012031" name="Ca42" />
-      <nuclide ao="2.51033e-05" name="Ca43" />
-      <nuclide ao="0.000387892" name="Ca44" />
-      <nuclide ao="7.438e-07" name="Ca46" />
-      <nuclide ao="3.47727e-05" name="Ca48" />
-      <nuclide ao="0.000248179" name="Fe54" />
-      <nuclide ao="0.003895875" name="Fe56" />
-      <nuclide ao="8.99727e-05" name="Fe57" />
-      <nuclide ao="1.19737e-05" name="Fe58" />
+      <density units="g/cc" value="2.3"/>
+      <nuclide ao="0.168018676" name="H1"/>
+      <nuclide ao="1.93244e-05" name="H2"/>
+      <nuclide ao="0.561814465" name="O16"/>
+      <nuclide ao="0.00021401" name="O17"/>
+      <nuclide ao="0.021365" name="Na23"/>
+      <nuclide ao="0.021343" name="Al27"/>
+      <nuclide ao="0.187439342" name="Si28"/>
+      <nuclide ao="0.009517714" name="Si29"/>
+      <nuclide ao="0.006273944" name="Si30"/>
+      <nuclide ao="0.018026179" name="Ca40"/>
+      <nuclide ao="0.00012031" name="Ca42"/>
+      <nuclide ao="2.51033e-05" name="Ca43"/>
+      <nuclide ao="0.000387892" name="Ca44"/>
+      <nuclide ao="7.438e-07" name="Ca46"/>
+      <nuclide ao="3.47727e-05" name="Ca48"/>
+      <nuclide ao="0.000248179" name="Fe54"/>
+      <nuclide ao="0.003895875" name="Fe56"/>
+      <nuclide ao="8.99727e-05" name="Fe57"/>
+      <nuclide ao="1.19737e-05" name="Fe58"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" region="-1" universe="1" />
-    <cell id="2" material="void" region="1 -2" universe="1" />
-    <surface coeffs="0.0 0.0 0.0 240" id="1" type="sphere" />
-    <surface boundary="vacuum" coeffs="0.0 0.0 0.0 250" id="2" type="sphere" />
+    <cell id="1" material="1" region="-1" universe="1"/>
+    <cell id="2" material="void" region="1 -2" universe="1"/>
+    <surface coeffs="0.0 0.0 0.0 240" id="1" type="sphere"/>
+    <surface boundary="vacuum" coeffs="0.0 0.0 0.0 250" id="2" type="sphere"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
diff --git a/tests/unit_tests/test_cell.py b/tests/unit_tests/test_cell.py
index cef77f160..1df3df9c5 100644
--- a/tests/unit_tests/test_cell.py
+++ b/tests/unit_tests/test_cell.py
@@ -1,4 +1,4 @@
-import xml.etree. ElementTree as ET
+import lxml.etree as ET
 
 import numpy as np
 from uncertainties import ufloat
diff --git a/tests/unit_tests/test_deplete_nuclide.py b/tests/unit_tests/test_deplete_nuclide.py
index e73af6955..07db57bd6 100644
--- a/tests/unit_tests/test_deplete_nuclide.py
+++ b/tests/unit_tests/test_deplete_nuclide.py
@@ -1,6 +1,6 @@
 """Tests for the openmc.deplete.Nuclide class."""
 
-import xml.etree.ElementTree as ET
+import lxml.etree as ET
 import copy
 import numpy as np
 import pytest
@@ -345,4 +345,4 @@ def test_deepcopy():
     assert copied_nuc == nuc
     # Mutate the original and verify the copy remains intact
     nuc *= 2
-    assert copied_nuc != nuc
\ No newline at end of file
+    assert copied_nuc != nuc
diff --git a/tests/unit_tests/test_geometry.py b/tests/unit_tests/test_geometry.py
index f99232ff2..3b2deee28 100644
--- a/tests/unit_tests/test_geometry.py
+++ b/tests/unit_tests/test_geometry.py
@@ -1,4 +1,4 @@
-import xml.etree.ElementTree as ET
+import lxml.etree as ET
 from pathlib import Path
 
 import numpy as np
diff --git a/tests/unit_tests/test_lattice.py b/tests/unit_tests/test_lattice.py
index 99bc284b0..97cd89843 100644
--- a/tests/unit_tests/test_lattice.py
+++ b/tests/unit_tests/test_lattice.py
@@ -1,5 +1,5 @@
 from math import sqrt
-import xml.etree.ElementTree as ET
+import lxml.etree as ET
 
 import openmc
 import pytest
diff --git a/tests/unit_tests/test_universe.py b/tests/unit_tests/test_universe.py
index fc92de9c7..aedc81438 100644
--- a/tests/unit_tests/test_universe.py
+++ b/tests/unit_tests/test_universe.py
@@ -1,4 +1,4 @@
-import xml.etree.ElementTree as ET
+import lxml.etree as ET
 
 import numpy as np
 import openmc

From eeb8a1f45161afef1029f8ad6ed793323ec72215 Mon Sep 17 00:00:00 2001
From: Paul Wilson <paul.wilson@wisc.edu>
Date: Fri, 12 May 2023 13:22:22 -0500
Subject: [PATCH 1848/2654] skip test that fails if VTK is missing (#2517)

---
 tests/unit_tests/test_plots.py | 2 ++
 1 file changed, 2 insertions(+)

diff --git a/tests/unit_tests/test_plots.py b/tests/unit_tests/test_plots.py
index 4e34db25e..5e5e1f22c 100644
--- a/tests/unit_tests/test_plots.py
+++ b/tests/unit_tests/test_plots.py
@@ -70,6 +70,8 @@ def myprojectionplot():
 
 
 def test_voxel_plot(run_in_tmpdir):
+    # attempt to preload VTK and skip this test if unavailable
+    vtk = pytest.importorskip('vtk')
     surf1 = openmc.Sphere(r=500, boundary_type='vacuum')
     cell1 = openmc.Cell(region=-surf1)
     geometry = openmc.Geometry([cell1])

From 65618384c926d5c047460dac2c83db4a2de17915 Mon Sep 17 00:00:00 2001
From: Lewis Gross <43077972+lewisgross1296@users.noreply.github.com>
Date: Fri, 12 May 2023 19:44:27 -0500
Subject: [PATCH 1849/2654] reordered list initialization of constructor in
 plot.cpp to respect header declaration order (#2519)

---
 src/plot.cpp | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/src/plot.cpp b/src/plot.cpp
index b4c8cad16..3bcae05ac 100644
--- a/src/plot.cpp
+++ b/src/plot.cpp
@@ -705,7 +705,7 @@ PlottableInterface::PlottableInterface(pugi::xml_node plot_node)
 }
 
 Plot::Plot(pugi::xml_node plot_node, PlotType type)
-  : PlottableInterface(plot_node), index_meshlines_mesh_ {-1}, type_(type)
+  : PlottableInterface(plot_node), type_(type), index_meshlines_mesh_ {-1}
 {
   set_output_path(plot_node);
   set_basis(plot_node);

From d8dbd9bfca5f9e8faf992422149ff0573fb49551 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Mon, 15 May 2023 23:48:45 +0100
Subject: [PATCH 1850/2654] auto width and origin for edge cases (#2512)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/universe.py | 9 ++++++---
 1 file changed, 6 insertions(+), 3 deletions(-)

diff --git a/openmc/universe.py b/openmc/universe.py
index dc88bdb04..b8abf663d 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -380,17 +380,20 @@ class Universe(UniverseBase):
             x, y = 0, 2
             xlabel, ylabel = 'x [cm]', 'z [cm]'
 
+        bb = self.bounding_box
         # checks to see if bounding box contains -inf or inf values
-        if True in np.isinf(self.bounding_box):
+        if np.isinf([bb[0][x], bb[1][x], bb[0][y], bb[1][y]]).any():
             if origin is None:
                 origin = (0, 0, 0)
             if width is None:
                 width = (10, 10)
         else:
             if origin is None:
-                origin = self.bounding_box.center
+                # if nan values in the bb.center they get replaced with 0.0
+                # this happens when the bounding_box contains inf values
+                origin = np.nan_to_num(bb.center)
             if width is None:
-                bb_width = self.bounding_box.width
+                bb_width = bb.width
                 x_width = bb_width['xyz'.index(basis[0])]
                 y_width = bb_width['xyz'.index(basis[1])]
                 width = (x_width, y_width)

From ec220fa9899e92869f8a110987c9dd3282fb7ac1 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Wed, 17 May 2023 20:45:04 +0100
Subject: [PATCH 1851/2654] updated doc string type for tally.nuclide (#2526)

---
 openmc/tallies.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/tallies.py b/openmc/tallies.py
index 492336f7e..596b324bb 100644
--- a/openmc/tallies.py
+++ b/openmc/tallies.py
@@ -56,7 +56,7 @@ class Tally(IDManagerMixin):
         Name of the tally
     filters : list of openmc.Filter
         List of specified filters for the tally
-    nuclides : list of openmc.Nuclide
+    nuclides : list of str
         List of nuclides to score results for
     scores : list of str
         List of defined scores, e.g. 'flux', 'fission', etc.

From d6ebf26ca6ab9b2584fce18ed0669ee3f12faad1 Mon Sep 17 00:00:00 2001
From: Luke Labrie-Cleary <lplcleary@gmail.com>
Date: Sun, 21 May 2023 05:05:46 +0200
Subject: [PATCH 1852/2654] update catch2 submodule to latest commit (#2522)

---
 vendor/Catch2 | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/vendor/Catch2 b/vendor/Catch2
index 41990e0fe..5a40b2275 160000
--- a/vendor/Catch2
+++ b/vendor/Catch2
@@ -1 +1 @@
-Subproject commit 41990e0fe6274d716134eecfd4d780e976c8fbf5
+Subproject commit 5a40b2275caa05cf809bf04df848764a9d7df2e2

From 3a939299ea22d14d69b8297403a94222f51dda3e Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Mon, 22 May 2023 22:32:19 +0100
Subject: [PATCH 1853/2654] adding BoundingBox.extent and
 RegularMesh.bounding_box (#2507)

---
 openmc/bounding_box.py                | 26 ++++++++++++++++++++++++++
 openmc/mesh.py                        |  6 ++++++
 tests/unit_tests/test_bounding_box.py |  6 ++++++
 tests/unit_tests/test_mesh.py         | 11 +++++++++++
 4 files changed, 49 insertions(+)

diff --git a/openmc/bounding_box.py b/openmc/bounding_box.py
index 331e831f1..2c6da10c0 100644
--- a/openmc/bounding_box.py
+++ b/openmc/bounding_box.py
@@ -27,6 +27,9 @@ class BoundingBox(tuple):
         The x, y, z coordinates of the upper right corner of the bounding box in [cm]
     volume : float
         The volume of the bounding box in [cm^3]
+    extent : dict
+        A dictionary of basis as keys and the extent (left, right, bottom, top)
+        as values. Intended use in Matplotlib plots when setting extent
     width : iterable of float
         The width of the x, y and z axis in [cm]
     """
@@ -58,6 +61,29 @@ class BoundingBox(tuple):
     def volume(self) -> float:
         return np.abs(np.prod(self[1] - self[0]))
 
+    @property
+    def extent(self):
+        return {
+            "xy": (
+                self.lower_left[0],
+                self.upper_right[0],
+                self.lower_left[1],
+                self.upper_right[1],
+            ),
+            "xz": (
+                self.lower_left[0],
+                self.upper_right[0],
+                self.lower_left[2],
+                self.upper_right[2],
+            ),
+            "yz": (
+                self.lower_left[1],
+                self.upper_right[1],
+                self.lower_left[2],
+                self.upper_right[2],
+            ),
+        }
+
     @property
     def width(self):
         return self.upper_right - self.lower_left
diff --git a/openmc/mesh.py b/openmc/mesh.py
index c4f744379..c59f5aaf6 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -422,6 +422,12 @@ class RegularMesh(StructuredMesh):
             x1, = self.upper_right
             return (np.linspace(x0, x1, nx + 1),)
 
+    @property
+    def bounding_box(self):
+        return openmc.BoundingBox(
+            np.array(self.lower_left), np.array(self.upper_right)
+        )
+
     @dimension.setter
     def dimension(self, dimension):
         cv.check_type('mesh dimension', dimension, Iterable, Integral)
diff --git a/tests/unit_tests/test_bounding_box.py b/tests/unit_tests/test_bounding_box.py
index f053bb2a1..1adb1976d 100644
--- a/tests/unit_tests/test_bounding_box.py
+++ b/tests/unit_tests/test_bounding_box.py
@@ -75,3 +75,9 @@ def test_bounding_box_input_checking():
     # checks that a numpy array with four entries is not accepted
     with pytest.raises(ValueError):
         openmc.BoundingBox(np.array([-10, -20, -4]), np.array([1, 2, 3, 4]))
+
+
+def test_bounding_box_extents():
+    assert test_bb_1.extent['xy'] == (-10., 1., -20., 2.)
+    assert test_bb_1.extent['xz'] == (-10., 1., -30., 3.)
+    assert test_bb_1.extent['yz'] == (-20., 2., -30., 3.)
diff --git a/tests/unit_tests/test_mesh.py b/tests/unit_tests/test_mesh.py
index 0f9b96b0b..4a09df045 100644
--- a/tests/unit_tests/test_mesh.py
+++ b/tests/unit_tests/test_mesh.py
@@ -33,3 +33,14 @@ def test_raises_error_when_flat(val_left, val_right):
     with pytest.raises(ValueError):
         mesh.upper_right = [25, 25, val_right]
         mesh.lower_left = [-25, -25, val_left]
+
+
+def test_mesh_bounding_box():
+    mesh = openmc.RegularMesh()
+    mesh.lower_left = [-2, -3 ,-5]
+    mesh.upper_right = [2, 3, 5]
+    bb = mesh.bounding_box
+    assert isinstance(bb, openmc.BoundingBox)
+    np.testing.assert_array_equal(bb.lower_left, np.array([-2, -3 ,-5]))
+    np.testing.assert_array_equal(bb.upper_right, np.array([2, 3, 5]))
+

From d6eac669c8edf4bf29a40c56948f487dab9663ee Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Tue, 23 May 2023 05:25:24 +0100
Subject: [PATCH 1854/2654] added mkdir to cwd argument in run (#2523)

---
 openmc/model/model.py | 6 +++---
 1 file changed, 3 insertions(+), 3 deletions(-)

diff --git a/openmc/model/model.py b/openmc/model/model.py
index ede21c64e..ee7f3647f 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -16,7 +16,7 @@ import openmc
 import openmc._xml as xml
 from openmc.dummy_comm import DummyCommunicator
 from openmc.executor import _process_CLI_arguments
-from openmc.checkvalue import check_type, check_value
+from openmc.checkvalue import check_type, check_value, PathLike
 from openmc.exceptions import InvalidIDError
 
 
@@ -24,7 +24,7 @@ from openmc.exceptions import InvalidIDError
 def _change_directory(working_dir):
     """A context manager for executing in a provided working directory"""
     start_dir = Path.cwd()
-    Path.mkdir(working_dir, exist_ok=True)
+    Path.mkdir(working_dir, parents=True, exist_ok=True)
     os.chdir(working_dir)
     try:
         yield
@@ -632,7 +632,7 @@ class Model:
             Settings.max_tracks is set. Defaults to False.
         output : bool, optional
             Capture OpenMC output from standard out
-        cwd : str, optional
+        cwd : PathLike, optional
             Path to working directory to run in. Defaults to the current working
             directory.
         openmc_exec : str, optional

From 6c7f857e1e98ce4fd5b39d8be034308596628d7e Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Tue, 23 May 2023 12:28:16 +0100
Subject: [PATCH 1855/2654] Auto pixel calc for universe plot (#2513)

---
 openmc/universe.py                | 16 +++++++++++++---
 tests/unit_tests/test_universe.py |  2 +-
 2 files changed, 14 insertions(+), 4 deletions(-)

diff --git a/openmc/universe.py b/openmc/universe.py
index b8abf663d..719568829 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -1,3 +1,4 @@
+import math
 import typing
 from abc import ABC, abstractmethod
 from collections import OrderedDict
@@ -300,7 +301,7 @@ class Universe(UniverseBase):
     _default_legend_kwargs = {'bbox_to_anchor': (
         1.05, 1), 'loc': 2, 'borderaxespad': 0.0}
 
-    def plot(self, origin=None, width=None, pixels=(200, 200),
+    def plot(self, origin=None, width=None, pixels=40000,
              basis='xy', color_by='cell', colors=None, seed=None,
              openmc_exec='openmc', axes=None, legend=False,
              legend_kwargs=_default_legend_kwargs, outline=False,
@@ -319,8 +320,12 @@ class Universe(UniverseBase):
             universe.bounding_box.width() will be used to attempt to
             ascertain the plot width.  Defaults to (10, 10) if the bounding_box
             contains inf values
-        pixels : Iterable of int
-            Number of pixels to use in each basis direction
+        pixels : Iterable of int or int
+            If iterable of ints provided then this directly sets the number of
+            pixels to use in each basis direction. If int provided then this
+            sets the total number of pixels in the plot and the number of
+            pixels in each basis direction is calculated from this total and
+            the image aspect ratio.
         basis : {'xy', 'xz', 'yz'}
             The basis directions for the plot
         color_by : {'cell', 'material'}
@@ -398,6 +403,11 @@ class Universe(UniverseBase):
                 y_width = bb_width['xyz'.index(basis[1])]
                 width = (x_width, y_width)
 
+        if isinstance(pixels, int):
+            aspect_ratio = width[0] / width[1]
+            pixels_y = math.sqrt(pixels / aspect_ratio)
+            pixels = (int(pixels / pixels_y), int(pixels_y))
+
         x_min = origin[x] - 0.5*width[0]
         x_max = origin[x] + 0.5*width[0]
         y_min = origin[y] - 0.5*width[1]
diff --git a/tests/unit_tests/test_universe.py b/tests/unit_tests/test_universe.py
index aedc81438..f4cf43d91 100644
--- a/tests/unit_tests/test_universe.py
+++ b/tests/unit_tests/test_universe.py
@@ -81,7 +81,7 @@ def test_plot(run_in_tmpdir, sphere_model):
             colors=colors,
             color_by="cell",
             legend=False,
-            pixels=(10, 10),
+            pixels=100,
             basis=basis,
             outline=False
         )

From 16b955f690067d74779aeb7e968f62f7cbb629cc Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 31 May 2023 19:25:26 -0500
Subject: [PATCH 1856/2654] Fix docstring for MicroXS class (#2540)

---
 openmc/deplete/microxs.py | 7 +++----
 1 file changed, 3 insertions(+), 4 deletions(-)

diff --git a/openmc/deplete/microxs.py b/openmc/deplete/microxs.py
index 7f3a84bf6..67f6bf49d 100644
--- a/openmc/deplete/microxs.py
+++ b/openmc/deplete/microxs.py
@@ -37,8 +37,9 @@ class MicroXS(DataFrame):
                    dilute_initial=1.0e3,
                    energy_bounds=(0, 20e6),
                    run_kwargs=None):
-        """Generate a one-group cross-section dataframe using
-        OpenMC. Note that the ``openmc`` executable must be compiled.
+        """Generate a one-group cross-section dataframe using OpenMC.
+
+        Note that the ``openmc`` executable must be compiled.
 
         Parameters
         ----------
@@ -55,8 +56,6 @@ class MicroXS(DataFrame):
             Initial atom density [atoms/cm^3] to add for nuclides that
             are zero in initial condition to ensure they exist in the cross
             section data. Only done for nuclides with reaction rates.
-        reactions : list of str, optional
-            Reaction names to tally
         energy_bound : 2-tuple of float, optional
             Bounds for the energy group.
         run_kwargs : dict, optional

From 4c69d913bb836df479d9bdea85ae6936d8109089 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 31 May 2023 20:13:52 -0500
Subject: [PATCH 1857/2654] Add virtual destructor on PlottableInterface
 (#2541)

---
 include/openmc/plot.h | 17 +++++++++--------
 1 file changed, 9 insertions(+), 8 deletions(-)

diff --git a/include/openmc/plot.h b/include/openmc/plot.h
index 225242c70..deb02180b 100644
--- a/include/openmc/plot.h
+++ b/include/openmc/plot.h
@@ -104,6 +104,7 @@ public:
 
   // Public color-related data
   PlottableInterface(pugi::xml_node plot_node);
+  virtual ~PlottableInterface() = default;
   int level_;                    // Universe level to plot
   bool color_overlaps_;          // Show overlapping cells?
   PlotColorBy color_by_;         // Plot coloring (cell/material)
@@ -151,10 +152,10 @@ public:
 
   // Members
 public:
-  Position origin_;         //!< Plot origin in geometry
-  Position width_;          //!< Plot width in geometry
-  PlotBasis basis_;         //!< Plot basis (XY/XZ/YZ)
-  array<size_t, 3> pixels_; //!< Plot size in pixels
+  Position origin_;           //!< Plot origin in geometry
+  Position width_;            //!< Plot width in geometry
+  PlotBasis basis_;           //!< Plot basis (XY/XZ/YZ)
+  array<size_t, 3> pixels_;   //!< Plot size in pixels
   bool slice_color_overlaps_; //!< Show overlapping cells?
   int slice_level_ {-1};      //!< Plot universe level
 private:
@@ -321,11 +322,11 @@ private:
   // loop:
   static const int MAX_INTERSECTIONS = 1000000;
 
-  std::array<int, 2> pixels_;       // pixel dimension of resulting image
+  std::array<int, 2> pixels_;              // pixel dimension of resulting image
   double horizontal_field_of_view_ {70.0}; // horiz. f.o.v. in degrees
-  Position camera_position_;        // where camera is
-  Position look_at_;                // point camera is centered looking at
-  Direction up_ {0.0, 0.0, 1.0};    // which way is up
+  Position camera_position_;               // where camera is
+  Position look_at_;             // point camera is centered looking at
+  Direction up_ {0.0, 0.0, 1.0}; // which way is up
 
   // which color IDs should be wireframed. If empty, all cells are wireframed.
   vector<int> wireframe_ids_;

From 74fb2801c26b748eccc76c4a3d584e084b17ed9f Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Fri, 2 Jun 2023 17:44:43 +0100
Subject: [PATCH 1858/2654] creating parent dirs for output_dir (#2543)

---
 openmc/deplete/abc.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/deplete/abc.py b/openmc/deplete/abc.py
index e871eccfe..d4cc1ba4d 100644
--- a/openmc/deplete/abc.py
+++ b/openmc/deplete/abc.py
@@ -69,7 +69,7 @@ def change_directory(output_dir):
     """
     orig_dir  = os.getcwd()
     try:
-        output_dir.mkdir(exist_ok=True)
+        output_dir.mkdir(parents=True, exist_ok=True)
         os.chdir(output_dir)
         yield
     finally:

From 19282cb0889ac332441787fa398da67d2be5a2fd Mon Sep 17 00:00:00 2001
From: Lorenzo Chierici <l.chierici89@gmail.com>
Date: Mon, 5 Jun 2023 00:10:47 +0200
Subject: [PATCH 1859/2654] Remove misleading warn message from
 deplete.chain.py  (#2544)

---
 openmc/deplete/chain.py | 3 ---
 1 file changed, 3 deletions(-)

diff --git a/openmc/deplete/chain.py b/openmc/deplete/chain.py
index d23cf374c..63fde6983 100644
--- a/openmc/deplete/chain.py
+++ b/openmc/deplete/chain.py
@@ -734,9 +734,6 @@ class Chain:
                 if transfer_rates.get_destination_material(material, element) == destination_material:
                     matrix[i, i] = transfer_rates.get_transfer_rate(material, element)
                 else:
-                    warn(f'Material {destination_material} is not defined '
-                         f'as a destination material for Material {material}. '
-                         'Setting transfer rate to 0.0')
                     matrix[i, i] = 0.0
             #Nothing else is allowed
         n = len(self)

From 7479a9022a056d697f79ba2caeccb067eb7aee67 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Tue, 6 Jun 2023 11:01:59 -0500
Subject: [PATCH 1860/2654] Fix spherical coords again. (#2538)

---
 openmc/mesh.py                       |  8 +++---
 tests/unit_tests/test_mesh_to_vtk.py | 42 ++++++++++++++++++++++++++++
 2 files changed, 46 insertions(+), 4 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index c59f5aaf6..fde9f302d 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -1338,7 +1338,7 @@ class CylindricalMesh(StructuredMesh):
         pts_cartesian[:, 0] = r * np.cos(phi) + self.origin[0]
         pts_cartesian[:, 1] = r * np.sin(phi) + self.origin[1]
         pts_cartesian[:, 2] += self.origin[2]
-        
+
         return super().write_data_to_vtk(
             points=pts_cartesian,
             filename=filename,
@@ -1585,9 +1585,9 @@ class SphericalMesh(StructuredMesh):
 
         r, theta, phi = pts_spherical[:, 0], pts_spherical[:, 1], pts_spherical[:, 2]
 
-        pts_cartesian[:, 0] = r * np.sin(phi) * np.cos(theta) + self.origin[0]
-        pts_cartesian[:, 1] = r * np.sin(phi) * np.sin(theta) + self.origin[1]
-        pts_cartesian[:, 2] = r * np.cos(phi) + self.origin[2]
+        pts_cartesian[:, 0] = r * np.sin(theta) * np.cos(phi) + self.origin[0]
+        pts_cartesian[:, 1] = r * np.sin(theta) * np.sin(phi) + self.origin[1]
+        pts_cartesian[:, 2] = r * np.cos(theta) + self.origin[2]
 
         return super().write_data_to_vtk(
             points=pts_cartesian,
diff --git a/tests/unit_tests/test_mesh_to_vtk.py b/tests/unit_tests/test_mesh_to_vtk.py
index 4c0a43877..2e2790e0a 100644
--- a/tests/unit_tests/test_mesh_to_vtk.py
+++ b/tests/unit_tests/test_mesh_to_vtk.py
@@ -273,3 +273,45 @@ def test_vtk_write_ordering(model, mesh, surface):
             # need to get flat index with axes reversed due to ordering passed into the VTK file
             flat_idx = np.ravel_multi_index(tuple(ijk[::-1]), mesh.dimension[::-1])
             assert vtk_data[flat_idx] == 0.0, err_msg
+
+
+def test_sphere_mesh_coordinates(run_in_tmpdir):
+    mesh = openmc.SphericalMesh()
+    mesh.r_grid = np.linspace(0.1, 10, 30)
+    mesh.phi_grid = np.linspace(0, 1.5*np.pi, 25)
+    mesh.theta_grid = np.linspace(0, np.pi / 2, 15)
+
+    # write the data to a VTK file (no data)
+    vtk_filename = 'test.vtk'
+    mesh.write_data_to_vtk(vtk_filename, {})
+
+    # read file
+    reader = vtk.vtkStructuredGridReader()
+    reader.SetFileName(str(vtk_filename))
+    reader.Update()
+
+    vtk_grid = reader.GetOutput()
+
+    # create a region that matches the spherical mesh description
+    x = openmc.XPlane()
+    z = openmc.ZPlane()
+    y = openmc.YPlane()
+    s = openmc.Sphere(r=10.0)
+
+    region = +z & +y & -s | -x & -y & +z & -s
+
+    # the VTK interface will update this list when GetCentroid is called
+    centroid = np.zeros(3)
+
+    # ensure all centroids of the sphere mesh are inside the cell region
+    for i in range(vtk_grid.GetNumberOfCells()):
+        # get the cell from the stuctured mesh object
+        cell = vtk_grid.GetCell(i)
+        cell.GetCentroid(centroid)
+
+        # if the coordinate conversion is happening correctly,
+        # every one of the cell centroids should be in the CSG region
+        assert centroid in region, \
+            f'Cell centroid {centroid} not in equivalent ' \
+            f'CSG region for spherical mesh {mesh}'
+

From a288e42a064604c92d3293157c47ab79e0ac5c8f Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Thu, 8 Jun 2023 18:29:55 +0100
Subject: [PATCH 1861/2654] corrected pixel index for axis height (#2553)

---
 openmc/universe.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/universe.py b/openmc/universe.py
index 719568829..458729d5c 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -455,7 +455,7 @@ class Universe(UniverseBase):
                 axes.set_ylabel(ylabel)
                 params = fig.subplotpars
                 width = pixels[0]*px/(params.right - params.left)
-                height = pixels[0]*px/(params.top - params.bottom)
+                height = pixels[1]*px/(params.top - params.bottom)
                 fig.set_size_inches(width, height)
 
             if outline:

From c123ce0fa0053bc3c6c52794467c0dfbde6d7d5f Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 9 Jun 2023 07:24:00 -0500
Subject: [PATCH 1862/2654] New `multiply_density` option on tallies (#2539)

---
 docs/source/io_formats/statepoint.rst         |  2 +
 docs/source/io_formats/tallies.rst            |  6 ++
 include/openmc/nuclide.h                      | 18 ++++-
 include/openmc/particle.h                     | 13 ++++
 include/openmc/particle_data.h                |  3 +-
 include/openmc/tallies/tally.h                |  7 ++
 openmc/lib/tally.py                           | 20 +++++
 openmc/statepoint.py                          |  4 +
 openmc/tallies.py                             | 25 +++++-
 src/material.cpp                              | 19 ++---
 src/nuclide.cpp                               |  2 +-
 src/particle.cpp                              | 31 +++++++-
 src/state_point.cpp                           |  6 ++
 src/tallies/tally.cpp                         | 37 +++++++--
 src/tallies/tally_scoring.cpp                 | 76 +++++++++++++------
 .../regression_tests/tallies/results_true.dat |  2 +-
 tests/unit_tests/test_lib.py                  | 13 ++++
 .../unit_tests/test_tally_multiply_density.py | 50 ++++++++++++
 18 files changed, 286 insertions(+), 48 deletions(-)
 create mode 100644 tests/unit_tests/test_tally_multiply_density.py

diff --git a/docs/source/io_formats/statepoint.rst b/docs/source/io_formats/statepoint.rst
index 09b1b1144..89d973a2b 100644
--- a/docs/source/io_formats/statepoint.rst
+++ b/docs/source/io_formats/statepoint.rst
@@ -139,6 +139,8 @@ The current version of the statepoint file format is 17.0.
              - **internal** (*int*) -- Flag indicating the presence of tally
                data (0) or absence of tally data (1). All user defined
                tallies will have a value of 0 unless otherwise instructed.
+             - **multiply_density** (*int*) -- Flag indicating whether reaction
+               rates should be multiplied by atom density (1) or not (0).
 
 :Datasets: - **n_realizations** (*int*) -- Number of realizations.
            - **n_filters** (*int*) -- Number of filters used.
diff --git a/docs/source/io_formats/tallies.rst b/docs/source/io_formats/tallies.rst
index 897941ad4..b88877b83 100644
--- a/docs/source/io_formats/tallies.rst
+++ b/docs/source/io_formats/tallies.rst
@@ -69,6 +69,12 @@ The ``<tally>`` element accepts the following sub-elements:
     list of valid scores can be found in the :ref:`user's guide
     <usersguide_scores>`.
 
+  :multiply_density:
+    A boolean that indicates whether reaction rate scores should be computed by
+    multiplying by the atom density of a nuclide present in a material.
+
+    *Default*: true
+
   :trigger:
     Precision trigger applied to all filter bins and nuclides for this tally.
     It must specify the trigger's type, threshold and scores to which it will
diff --git a/include/openmc/nuclide.h b/include/openmc/nuclide.h
index b05c76bbb..1cc9d2972 100644
--- a/include/openmc/nuclide.h
+++ b/include/openmc/nuclide.h
@@ -29,6 +29,7 @@ namespace openmc {
 
 class Nuclide {
 public:
+  //============================================================================
   // Types, aliases
   using EmissionMode = ReactionProduct::EmissionMode;
   struct EnergyGrid {
@@ -36,18 +37,32 @@ public:
     vector<double> energy;
   };
 
+  //============================================================================
   // Constructors/destructors
   Nuclide(hid_t group, const vector<double>& temperature);
   ~Nuclide();
 
+  //============================================================================
+  // Methods
+
   //! Initialize logarithmic grid for energy searches
   void init_grid();
 
+  //! Calculate microscopic cross sections
+  //
+  //! \param[in] i_sab  Index in data::thermal_scatt
+  //! \param[in] i_log_union  Log-grid search index
+  //! \param[in] sab_frac  S(a,b) table fraction
+  //! \param[in,out] p  Particle object
   void calculate_xs(int i_sab, int i_log_union, double sab_frac, Particle& p);
 
+  //! Calculate thermal scattering cross section
+  //
+  //! \param[in] i_sab  Index in data::thermal_scatt
+  //! \param[in] sab_frac  S(a,b) table fraction
+  //! \param[in,out] p  Particle object
   void calculate_sab_xs(int i_sab, double sab_frac, Particle& p);
 
-  // Methods
   double nu(double E, EmissionMode mode, int group = 0) const;
   void calculate_elastic_xs(Particle& p) const;
 
@@ -69,6 +84,7 @@ public:
   double collapse_rate(int MT, double temperature,
     gsl::span<const double> energy, gsl::span<const double> flux) const;
 
+  //============================================================================
   // Data members
   std::string name_; //!< Name of nuclide, e.g. "U235"
   int Z_;            //!< Atomic number
diff --git a/include/openmc/particle.h b/include/openmc/particle.h
index da2f6a61f..e3f23fd5b 100644
--- a/include/openmc/particle.h
+++ b/include/openmc/particle.h
@@ -35,6 +35,9 @@ public:
 
   Particle() = default;
 
+  //==========================================================================
+  // Methods
+
   double speed() const;
 
   //! create a secondary particle
@@ -106,6 +109,16 @@ public:
 
   //! create a particle restart HDF5 file
   void write_restart() const;
+
+  //! Update microscopic cross section cache
+  //
+  //! \param[in] i_nuclide Index in data::nuclides
+  //! \param[in] i_grid Index on log union grid
+  //! \param[in] i_sab Index in data::thermal_scatt
+  //! \param[in] sab_frac  S(a,b) table fraction
+  //! \param[in] ncrystal_xs Thermal scattering xs from NCrystal
+  void update_neutron_xs(int i_nuclide, int i_grid = C_NONE, int i_sab = C_NONE,
+    double sab_frac = 0.0, double ncrystal_xs = -1.0);
 };
 
 //============================================================================
diff --git a/include/openmc/particle_data.h b/include/openmc/particle_data.h
index d3d00571a..c4f959666 100644
--- a/include/openmc/particle_data.h
+++ b/include/openmc/particle_data.h
@@ -218,8 +218,9 @@ struct BoundaryInfo {
  *   https://doi.org/10.1016/j.anucene.2017.11.032.
  */
 class ParticleData {
-
 public:
+  //----------------------------------------------------------------------------
+  // Constructors
   ParticleData();
 
 private:
diff --git a/include/openmc/tallies/tally.h b/include/openmc/tallies/tally.h
index e840a0aa1..6ad3bef6f 100644
--- a/include/openmc/tallies/tally.h
+++ b/include/openmc/tallies/tally.h
@@ -37,6 +37,8 @@ public:
 
   void set_active(bool active) { active_ = active; }
 
+  void set_multiply_density(bool value) { multiply_density_ = value; }
+
   void set_writable(bool writable) { writable_ = writable; }
 
   void set_scores(pugi::xml_node node);
@@ -62,6 +64,8 @@ public:
 
   int32_t n_filter_bins() const { return n_filter_bins_; }
 
+  bool multiply_density() const { return multiply_density_; }
+
   bool writable() const { return writable_; }
 
   //----------------------------------------------------------------------------
@@ -139,6 +143,9 @@ private:
 
   int32_t n_filter_bins_ {0};
 
+  //! Whether to multiply by atom density for reaction rates
+  bool multiply_density_ {true};
+
   gsl::index index_;
 };
 
diff --git a/openmc/lib/tally.py b/openmc/lib/tally.py
index 85af8ffff..83c28528e 100644
--- a/openmc/lib/tally.py
+++ b/openmc/lib/tally.py
@@ -39,6 +39,9 @@ _dll.openmc_tally_get_filters.argtypes = [
     c_int32, POINTER(POINTER(c_int32)), POINTER(c_size_t)]
 _dll.openmc_tally_get_filters.restype = c_int
 _dll.openmc_tally_get_filters.errcheck = _error_handler
+_dll.openmc_tally_get_multiply_density.argtypes = [c_int32, POINTER(c_bool)]
+_dll.openmc_tally_get_multiply_density.restype = c_int
+_dll.openmc_tally_get_multiply_density.errcheck = _error_handler
 _dll.openmc_tally_get_n_realizations.argtypes = [c_int32, POINTER(c_int32)]
 _dll.openmc_tally_get_n_realizations.restype = c_int
 _dll.openmc_tally_get_n_realizations.errcheck = _error_handler
@@ -75,6 +78,9 @@ _dll.openmc_tally_set_estimator.errcheck = _error_handler
 _dll.openmc_tally_set_id.argtypes = [c_int32, c_int32]
 _dll.openmc_tally_set_id.restype = c_int
 _dll.openmc_tally_set_id.errcheck = _error_handler
+_dll.openmc_tally_set_multiply_density.argtypes = [c_int32, c_bool]
+_dll.openmc_tally_set_multiply_density.restype = c_int
+_dll.openmc_tally_set_multiply_density.errcheck = _error_handler
 _dll.openmc_tally_set_nuclides.argtypes = [c_int32, c_int, POINTER(c_char_p)]
 _dll.openmc_tally_set_nuclides.restype = c_int
 _dll.openmc_tally_set_nuclides.errcheck = _error_handler
@@ -174,6 +180,10 @@ class Tally(_FortranObjectWithID):
         List of tally filters
     mean : numpy.ndarray
         An array containing the sample mean for each bin
+    multiply_density : bool
+        Whether reaction rates should be multiplied by atom density
+
+        .. versionadded:: 0.13.4
     nuclides : list of str
         List of nuclides to score results for
     num_realizations : int
@@ -363,6 +373,16 @@ class Tally(_FortranObjectWithID):
     def writable(self, writable):
         _dll.openmc_tally_set_writable(self._index, writable)
 
+    @property
+    def multiply_density(self):
+        multiply_density = c_bool()
+        _dll.openmc_tally_get_multiply_density(self._index, multiply_density)
+        return multiply_density.value
+
+    @multiply_density.setter
+    def multiply_density(self, multiply_density):
+        _dll.openmc_tally_set_multiply_density(self._index, multiply_density)
+
     def reset(self):
         """Reset results and num_realizations of tally"""
         _dll.openmc_tally_reset(self._index)
diff --git a/openmc/statepoint.py b/openmc/statepoint.py
index 138c0c718..7c1ecd137 100644
--- a/openmc/statepoint.py
+++ b/openmc/statepoint.py
@@ -398,6 +398,10 @@ class StatePoint:
                     tally._sp_filename = self._f.filename
                     tally.name = group['name'][()].decode() if 'name' in group else ''
 
+                    # Check if tally has multiply_density attribute
+                    if "multiply_density" in group.attrs:
+                        tally.multiply_density = group.attrs["multiply_density"].item() > 0
+
                     # Read the number of realizations
                     n_realizations = group['n_realizations'][()]
 
diff --git a/openmc/tallies.py b/openmc/tallies.py
index 596b324bb..85daaa17a 100644
--- a/openmc/tallies.py
+++ b/openmc/tallies.py
@@ -14,7 +14,7 @@ import scipy.sparse as sps
 
 import openmc
 import openmc.checkvalue as cv
-from ._xml import clean_indentation, reorder_attributes
+from ._xml import clean_indentation, reorder_attributes, get_text
 from .mixin import IDManagerMixin
 from .mesh import MeshBase
 
@@ -54,6 +54,10 @@ class Tally(IDManagerMixin):
         Unique identifier for the tally
     name : str
         Name of the tally
+    multiply_density : bool
+        Whether reaction rates should be multiplied by atom density
+
+        .. versionadded:: 0.13.4
     filters : list of openmc.Filter
         List of specified filters for the tally
     nuclides : list of str
@@ -111,6 +115,7 @@ class Tally(IDManagerMixin):
         self._estimator = None
         self._triggers = cv.CheckedList(openmc.Trigger, 'tally triggers')
         self._derivative = None
+        self._multiply_density = True
 
         self._num_realizations = 0
         self._with_summary = False
@@ -138,12 +143,17 @@ class Tally(IDManagerMixin):
         parts.append('{: <15}=\t{}'.format('Nuclides', nuclides))
         parts.append('{: <15}=\t{}'.format('Scores', self.scores))
         parts.append('{: <15}=\t{}'.format('Estimator', self.estimator))
+        parts.append('{: <15}=\t{}'.format('Multiply dens.', self.multiply_density))
         return '\n\t'.join(parts)
 
     @property
     def name(self):
         return self._name
 
+    @property
+    def multiply_density(self):
+        return self._multiply_density
+
     @property
     def filters(self):
         return self._filters
@@ -323,6 +333,11 @@ class Tally(IDManagerMixin):
         cv.check_type('tally name', name, str, none_ok=True)
         self._name = name
 
+    @multiply_density.setter
+    def multiply_density(self, value):
+        cv.check_type('multiply density', value, bool)
+        self._multiply_density = value
+
     @derivative.setter
     def derivative(self, deriv):
         cv.check_type('tally derivative', deriv, openmc.TallyDerivative,
@@ -829,6 +844,10 @@ class Tally(IDManagerMixin):
         if self.name != '':
             element.set("name", self.name)
 
+        # Multiply by density
+        if not self.multiply_density:
+            element.set("multiply_density", str(self.multiply_density).lower())
+
         # Optional Tally filters
         if len(self.filters) > 0:
             subelement = ET.SubElement(element, "filters")
@@ -885,6 +904,10 @@ class Tally(IDManagerMixin):
         name = elem.get('name', '')
         tally = cls(tally_id=tally_id, name=name)
 
+        text = get_text(elem, 'multiply_density')
+        if text is not None:
+            tally.multiply_density = text in ('true', '1')
+
         # Read filters
         filters_elem = elem.find('filters')
         if filters_elem is not None:
diff --git a/src/material.cpp b/src/material.cpp
index 82dd0d4d9..610b54add 100644
--- a/src/material.cpp
+++ b/src/material.cpp
@@ -353,7 +353,7 @@ Material::~Material()
   model::material_map.erase(id_);
 }
 
-Material & Material::clone()
+Material& Material::clone()
 {
   std::unique_ptr<Material> mat = std::make_unique<Material>();
 
@@ -868,21 +868,12 @@ void Material::calculate_neutron_xs(Particle& p) const
     // ======================================================================
     // CALCULATE MICROSCOPIC CROSS SECTION
 
-    // Determine microscopic cross sections for this nuclide
+    // Get nuclide index
     int i_nuclide = nuclide_[i];
 
-    // Calculate microscopic cross section for this nuclide
-    auto& micro {p.neutron_xs(i_nuclide)};
-    if (p.E() != micro.last_E || p.sqrtkT() != micro.last_sqrtkT ||
-        i_sab != micro.index_sab || sab_frac != micro.sab_frac) {
-      data::nuclides[i_nuclide]->calculate_xs(i_sab, i_grid, sab_frac, p);
-
-      // If NCrystal is being used, update micro cross section cache
-      if (ncrystal_xs >= 0.0) {
-        data::nuclides[i_nuclide]->calculate_elastic_xs(p);
-        ncrystal_update_micro(ncrystal_xs, micro);
-      }
-    }
+    // Update microscopic cross section for this nuclide
+    p.update_neutron_xs(i_nuclide, i_grid, i_sab, sab_frac, ncrystal_xs);
+    auto& micro = p.neutron_xs(i_nuclide);
 
     // ======================================================================
     // ADD TO MACROSCOPIC CROSS SECTION
diff --git a/src/nuclide.cpp b/src/nuclide.cpp
index 99ed44b11..8f73a5309 100644
--- a/src/nuclide.cpp
+++ b/src/nuclide.cpp
@@ -471,7 +471,7 @@ void Nuclide::create_derived(
         xs_cdf_sum +=
           (std::sqrt(E[i]) * xs[i] + std::sqrt(E[i + 1]) * xs[i + 1]) / 2.0 *
           (E[i + 1] - E[i]);
-        xs_cdf_[i+1] = xs_cdf_sum;
+        xs_cdf_[i + 1] = xs_cdf_sum;
       }
     }
   }
diff --git a/src/particle.cpp b/src/particle.cpp
index 1ec95a4ae..f455ab834 100644
--- a/src/particle.cpp
+++ b/src/particle.cpp
@@ -36,6 +36,10 @@
 
 namespace openmc {
 
+//==============================================================================
+// Particle implementation
+//==============================================================================
+
 double Particle::speed() const
 {
   // Determine mass in eV/c^2
@@ -433,7 +437,9 @@ void Particle::cross_surface()
 #ifdef DAGMC
   // in DAGMC, we know what the next cell should be
   if (surf->geom_type_ == GeometryType::DAG) {
-    int32_t i_cell = next_cell(i_surface, cell_last(n_coord() - 1), lowest_coord().universe) - 1;
+    int32_t i_cell =
+      next_cell(i_surface, cell_last(n_coord() - 1), lowest_coord().universe) -
+      1;
     // save material and temp
     material_last() = material();
     sqrtkT_last() = sqrtkT();
@@ -703,6 +709,29 @@ void Particle::write_restart() const
   } // #pragma omp critical
 }
 
+void Particle::update_neutron_xs(
+  int i_nuclide, int i_grid, int i_sab, double sab_frac, double ncrystal_xs)
+{
+  // Get microscopic cross section cache
+  auto& micro = this->neutron_xs(i_nuclide);
+
+  // If the cache doesn't match, recalculate micro xs
+  if (this->E() != micro.last_E || this->sqrtkT() != micro.last_sqrtkT ||
+      i_sab != micro.index_sab || sab_frac != micro.sab_frac) {
+    data::nuclides[i_nuclide]->calculate_xs(i_sab, i_grid, sab_frac, *this);
+
+    // If NCrystal is being used, update micro cross section cache
+    if (ncrystal_xs >= 0.0) {
+      data::nuclides[i_nuclide]->calculate_elastic_xs(*this);
+      ncrystal_update_micro(ncrystal_xs, micro);
+    }
+  }
+}
+
+//==============================================================================
+// Non-method functions
+//==============================================================================
+
 std::string particle_type_to_str(ParticleType type)
 {
   switch (type) {
diff --git a/src/state_point.cpp b/src/state_point.cpp
index eefce8fa4..bff621320 100644
--- a/src/state_point.cpp
+++ b/src/state_point.cpp
@@ -193,6 +193,12 @@ extern "C" int openmc_statepoint_write(const char* filename, bool* write_source)
           continue;
         }
 
+        if (tally->multiply_density()) {
+          write_attribute(tally_group, "multiply_density", 1);
+        } else {
+          write_attribute(tally_group, "multiply_density", 0);
+        }
+
         if (tally->estimator_ == TallyEstimator::ANALOG) {
           write_dataset(tally_group, "estimator", "analog");
         } else if (tally->estimator_ == TallyEstimator::TRACKLENGTH) {
diff --git a/src/tallies/tally.cpp b/src/tallies/tally.cpp
index e29384772..85d999fd4 100644
--- a/src/tallies/tally.cpp
+++ b/src/tallies/tally.cpp
@@ -92,6 +92,10 @@ Tally::Tally(pugi::xml_node node)
   if (check_for_node(node, "name"))
     name_ = get_node_value(node, "name");
 
+  if (check_for_node(node, "multiply_density")) {
+    multiply_density_ = get_node_value_bool(node, "multiply_density");
+  }
+
   // =======================================================================
   // READ DATA FOR FILTERS
 
@@ -564,11 +568,12 @@ void Tally::set_nuclides(const vector<std::string>& nuclides)
       nuclides_.push_back(-1);
     } else {
       auto search = data::nuclide_map.find(nuc);
-      if (search == data::nuclide_map.end())
-        fatal_error(fmt::format("Could not find the nuclide {} specified in "
-                                "tally {} in any material",
-          nuc, id_));
-      nuclides_.push_back(search->second);
+      if (search == data::nuclide_map.end()) {
+        int err = openmc_load_nuclide(nuc.c_str(), nullptr, 0);
+        if (err < 0)
+          throw std::runtime_error {openmc_err_msg};
+      }
+      nuclides_.push_back(data::nuclide_map.at(nuc));
     }
   }
 }
@@ -1108,6 +1113,28 @@ extern "C" int openmc_tally_set_writable(int32_t index, bool writable)
   return 0;
 }
 
+extern "C" int openmc_tally_get_multiply_density(int32_t index, bool* value)
+{
+  if (index < 0 || index >= model::tallies.size()) {
+    set_errmsg("Index in tallies array is out of bounds.");
+    return OPENMC_E_OUT_OF_BOUNDS;
+  }
+  *value = model::tallies[index]->multiply_density();
+
+  return 0;
+}
+
+extern "C" int openmc_tally_set_multiply_density(int32_t index, bool value)
+{
+  if (index < 0 || index >= model::tallies.size()) {
+    set_errmsg("Index in tallies array is out of bounds.");
+    return OPENMC_E_OUT_OF_BOUNDS;
+  }
+  model::tallies[index]->set_multiply_density(value);
+
+  return 0;
+}
+
 extern "C" int openmc_tally_get_scores(int32_t index, int** scores, int* n)
 {
   if (index < 0 || index >= model::tallies.size()) {
diff --git a/src/tallies/tally_scoring.cpp b/src/tallies/tally_scoring.cpp
index 68eb344af..3e58fec05 100644
--- a/src/tallies/tally_scoring.cpp
+++ b/src/tallies/tally_scoring.cpp
@@ -939,21 +939,17 @@ void score_general_ce_nonanalog(Particle& p, int i_tally, int start_index,
 
       if (i_nuclide >= 0) {
         const auto& micro = p.photon_xs(i_nuclide);
-        double xs = (score_bin == COHERENT)
-                      ? micro.coherent
-                      : (score_bin == INCOHERENT) ? micro.incoherent
-                                                  : (score_bin == PHOTOELECTRIC)
-                                                      ? micro.photoelectric
-                                                      : micro.pair_production;
+        double xs = (score_bin == COHERENT)        ? micro.coherent
+                    : (score_bin == INCOHERENT)    ? micro.incoherent
+                    : (score_bin == PHOTOELECTRIC) ? micro.photoelectric
+                                                   : micro.pair_production;
         score = xs * atom_density * flux;
       } else {
-        double xs = (score_bin == COHERENT)
-                      ? p.macro_xs().coherent
-                      : (score_bin == INCOHERENT)
-                          ? p.macro_xs().incoherent
-                          : (score_bin == PHOTOELECTRIC)
-                              ? p.macro_xs().photoelectric
-                              : p.macro_xs().pair_production;
+        double xs = (score_bin == COHERENT)     ? p.macro_xs().coherent
+                    : (score_bin == INCOHERENT) ? p.macro_xs().incoherent
+                    : (score_bin == PHOTOELECTRIC)
+                      ? p.macro_xs().photoelectric
+                      : p.macro_xs().pair_production;
         score = xs * flux;
       }
       break;
@@ -2308,6 +2304,9 @@ void score_tracklength_tally(Particle& p, double distance)
   // Determine the tracklength estimate of the flux
   double flux = p.wgt() * distance;
 
+  // Set 'none' value for log union grid index
+  int i_log_union = C_NONE;
+
   for (auto i_tally : model::active_tracklength_tallies) {
     const Tally& tally {*model::tallies[i_tally]};
 
@@ -2331,11 +2330,25 @@ void score_tracklength_tally(Particle& p, double distance)
         double atom_density = 0.;
         if (i_nuclide >= 0) {
           if (p.material() != MATERIAL_VOID) {
-            auto j =
-              model::materials[p.material()]->mat_nuclide_index_[i_nuclide];
-            if (j == C_NONE)
-              continue;
-            atom_density = model::materials[p.material()]->atom_density_(j);
+            const auto& mat = model::materials[p.material()];
+            auto j = mat->mat_nuclide_index_[i_nuclide];
+            if (j == C_NONE) {
+              // Determine log union grid index
+              if (i_log_union == C_NONE) {
+                int neutron = static_cast<int>(ParticleType::neutron);
+                i_log_union = std::log(p.E() / data::energy_min[neutron]) /
+                              simulation::log_spacing;
+              }
+
+              // Update micro xs cache
+              if (!tally.multiply_density()) {
+                p.update_neutron_xs(i_nuclide, i_log_union);
+                atom_density = 1.0;
+              }
+            } else {
+              atom_density =
+                tally.multiply_density() ? mat->atom_density_(j) : 1.0;
+            }
           }
         }
 
@@ -2371,6 +2384,9 @@ void score_collision_tally(Particle& p)
     flux = p.wgt_last() / p.macro_xs().total;
   }
 
+  // Set 'none value for log union grid index
+  int i_log_union = C_NONE;
+
   for (auto i_tally : model::active_collision_tallies) {
     const Tally& tally {*model::tallies[i_tally]};
 
@@ -2393,11 +2409,25 @@ void score_collision_tally(Particle& p)
 
         double atom_density = 0.;
         if (i_nuclide >= 0) {
-          auto j =
-            model::materials[p.material()]->mat_nuclide_index_[i_nuclide];
-          if (j == C_NONE)
-            continue;
-          atom_density = model::materials[p.material()]->atom_density_(j);
+          const auto& mat = model::materials[p.material()];
+          auto j = mat->mat_nuclide_index_[i_nuclide];
+          if (j == C_NONE) {
+            // Determine log union grid index
+            if (i_log_union == C_NONE) {
+              int neutron = static_cast<int>(ParticleType::neutron);
+              i_log_union = std::log(p.E() / data::energy_min[neutron]) /
+                            simulation::log_spacing;
+            }
+
+            // Update micro xs cache
+            if (!tally.multiply_density()) {
+              p.update_neutron_xs(i_nuclide, i_log_union);
+              atom_density = 1.0;
+            }
+          } else {
+            atom_density =
+              tally.multiply_density() ? mat->atom_density_(j) : 1.0;
+          }
         }
 
         // TODO: consider replacing this "if" with pointers or templates
diff --git a/tests/regression_tests/tallies/results_true.dat b/tests/regression_tests/tallies/results_true.dat
index 6a58c1725..673d2143b 100644
--- a/tests/regression_tests/tallies/results_true.dat
+++ b/tests/regression_tests/tallies/results_true.dat
@@ -1 +1 @@
-6b1d8d6f4d7a70af6c39cc76b9267a61ba9a9d0c14b75a4df6f83e72a2bfaf1533caaf936c2185f0a158443eb9da266bd5a77b7996020fd638551ea841d821e0
\ No newline at end of file
+d1decdbec6cb59df91ba5c42cb37a04f413a34fa7faf7ad1eecfd7d53a14af8cb65b58335c4ede4e88f6d9ab35a1746251983cc991d74eab3e678887c84183bd
\ No newline at end of file
diff --git a/tests/unit_tests/test_lib.py b/tests/unit_tests/test_lib.py
index 0633ceb18..b4dd9197b 100644
--- a/tests/unit_tests/test_lib.py
+++ b/tests/unit_tests/test_lib.py
@@ -366,6 +366,19 @@ def test_tally_activate(lib_simulation_init):
     assert t.active
 
 
+def test_tally_multiply_density(lib_simulation_init):
+    # multiply_density is True by default
+    t = openmc.lib.tallies[1]
+    assert t.multiply_density
+
+    # Make sure setting multiply_density works
+    t.multiply_density = False
+    assert not t.multiply_density
+
+    # Reset to True
+    t.multiply_density = True
+
+
 def test_tally_writable(lib_simulation_init):
     t = openmc.lib.tallies[1]
     assert t.writable
diff --git a/tests/unit_tests/test_tally_multiply_density.py b/tests/unit_tests/test_tally_multiply_density.py
new file mode 100644
index 000000000..66ef41e0d
--- /dev/null
+++ b/tests/unit_tests/test_tally_multiply_density.py
@@ -0,0 +1,50 @@
+import numpy as np
+import openmc
+import pytest
+
+
+def test_micro_macro_compare():
+    # Create simple sphere model with H1 and H2
+    mat = openmc.Material()
+    mat.add_components({'H1': 1.0, 'H2': 1.0})
+    mat.set_density('g/cm3', 1.0)
+    sph = openmc.Sphere(r=10.0, boundary_type='vacuum')
+    cell = openmc.Cell(fill=mat, region=-sph)
+    model = openmc.Model()
+    model.geometry = openmc.Geometry([cell])
+    model.settings.run_mode = 'fixed source'
+    model.settings.particles = 1000
+    model.settings.batches = 10
+
+    # Set up two reaction rate tallies, one that multplies by density and the
+    # other that doesn't
+    tally_macro = openmc.Tally()
+    tally_macro.nuclides = ['H1', 'H2', 'H3']
+    tally_macro.scores = ['total', 'elastic']
+    tally_micro = openmc.Tally()
+    tally_micro.nuclides = ['H1', 'H2', 'H3']
+    tally_micro.scores = ['total', 'elastic']
+    tally_micro.multiply_density = False
+    model.tallies = [tally_macro, tally_micro]
+
+    sp_filename = model.run()
+    with openmc.StatePoint(sp_filename) as sp:
+        tally_macro = sp.tallies[tally_macro.id]
+        tally_micro = sp.tallies[tally_micro.id]
+
+    # Make sure multply_density attribute from statepoint is set correctly
+    assert tally_macro.multiply_density
+    assert not tally_micro.multiply_density
+
+    # Dividing macro by density should give micro
+    density = mat.get_nuclide_atom_densities()
+    for nuc in ('H1', 'H2'):
+        micro_derived = tally_macro.get_values(nuclides=[nuc]) / density[nuc]
+        micro = tally_micro.get_values(nuclides=[nuc])
+        assert micro_derived == pytest.approx(micro)
+
+    # For macro tally, H3 scores should be zero
+    assert np.all(tally_macro.get_values(nuclides=['H3']) == 0.0)
+
+    # For micro tally, H3 scores should be positive
+    assert np.all(tally_micro.get_values(nuclides=['H3']) > 0.0)

From 610a5d8c3485034626ce54ce87a88eaa8071cc23 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 9 Jun 2023 10:47:27 -0500
Subject: [PATCH 1863/2654] Global Weight Window Generation via CAPI (#2359)

Co-authored-by: Jonathan Shimwell <drshimwell@gmail.com>
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 docs/source/io_formats/index.rst              |   1 +
 docs/source/io_formats/settings.rst           |  73 +-
 docs/source/io_formats/statepoint.rst         |   2 +
 docs/source/io_formats/weight_windows.rst     |  39 +
 docs/source/pythonapi/base.rst                |  14 +-
 docs/source/pythonapi/capi.rst                |   2 +
 include/openmc/capi.h                         |  33 +
 include/openmc/constants.h                    |   3 +-
 include/openmc/mesh.h                         |  52 +-
 include/openmc/output.h                       |  22 +
 include/openmc/settings.h                     |   6 +-
 include/openmc/tallies/filter_mesh.h          |   6 +-
 include/openmc/tallies/tally.h                |  44 +
 include/openmc/weight_windows.h               | 259 +++--
 openmc/lib/__init__.py                        |   2 +
 openmc/lib/core.py                            |  50 +-
 openmc/lib/filter.py                          |  18 +-
 openmc/lib/mesh.py                            |   9 +-
 openmc/lib/settings.py                        |   1 +
 openmc/lib/tally.py                           |  24 +
 openmc/lib/weight_windows.py                  | 323 ++++++
 openmc/settings.py                            |  68 +-
 openmc/source.py                              |  47 +-
 openmc/tallies.py                             |   1 -
 openmc/tracks.py                              |   3 +-
 openmc/weight_windows.py                      | 302 +++++-
 src/mesh.cpp                                  |  64 +-
 src/settings.cpp                              |  33 +-
 src/simulation.cpp                            |  17 +
 src/tallies/filter.cpp                        |   9 +
 src/tallies/filter_particle.cpp               |  19 +
 src/tallies/tally.cpp                         |  61 ++
 src/weight_windows.cpp                        | 930 +++++++++++++++++-
 .../track_output/results_true.dat             |   6 +-
 .../weightwindows/generators/__init__.py      |   0
 .../weightwindows/generators/test.py          |  54 +
 tests/unit_tests/weightwindows/test.py        |  47 +-
 tests/unit_tests/weightwindows/test_ww_gen.py | 316 ++++++
 38 files changed, 2789 insertions(+), 171 deletions(-)
 create mode 100644 docs/source/io_formats/weight_windows.rst
 create mode 100644 openmc/lib/weight_windows.py
 create mode 100644 tests/regression_tests/weightwindows/generators/__init__.py
 create mode 100644 tests/regression_tests/weightwindows/generators/test.py
 create mode 100644 tests/unit_tests/weightwindows/test_ww_gen.py

diff --git a/docs/source/io_formats/index.rst b/docs/source/io_formats/index.rst
index 8c89bd2a1..4bbaa961a 100644
--- a/docs/source/io_formats/index.rst
+++ b/docs/source/io_formats/index.rst
@@ -51,3 +51,4 @@ Output Files
    track
    voxel
    volume
+   weight_windows
diff --git a/docs/source/io_formats/settings.rst b/docs/source/io_formats/settings.rst
index 0431c95ab..2a85ebc8a 100644
--- a/docs/source/io_formats/settings.rst
+++ b/docs/source/io_formats/settings.rst
@@ -1066,7 +1066,7 @@ sub-elements/attributes:
   :particle_type:
     The particle that the weight windows will apply to (e.g., 'neutron')
 
-    *Default*: None
+    *Default*: 'neutron'
 
   :energy_bins:
     Monotonically increasing list of bounding energies in [eV] to be used for
@@ -1104,3 +1104,74 @@ sub-elements/attributes:
     Threshold below which particles will be terminated
 
     *Default*: :math:`10^{-38}`
+
+--------------------------------------
+``<weight_window_generator>`` Element
+--------------------------------------
+
+The ``<weight_window_generator>`` element provides information for creating a set of
+mesh-based weight windows.
+
+  :mesh:
+    ID of a mesh that is to be used for the weight windows spatial bins
+
+    *Default*: None
+
+  :energy_bounds:
+    The weight window energy bounds. If not present, the max/min energy of the
+    cross section data is applied as a single energy bin.
+
+    *Default*: None
+
+  :particle_type:
+    The particle that the weight windows will apply to (e.g., 'neutron')
+
+    *Default*: neutron
+
+  :max_realizations:
+    The number of tally realizations after which the weight windows will stop updating.
+
+    *Default*: 1
+
+  :update_interval:
+    The number of tally realizations between weight window updates.
+
+    *Default*: 1
+
+  :on_the_fly:
+    Controls whether or not the tally results are reset after a weight window update.
+
+    *Default*: true
+
+  :method:
+    Method used to update weight window values (currently only 'magic' is supported)
+
+    *Default*: magic
+
+  :update_parameters:
+    Method-specific update parameters used when generating/updating weight windows.
+
+    For MAGIC:
+
+      :value:
+        The type of tally value to use when creating weight windows (one of 'mean' or 'rel_err')
+
+        *Default*: 'mean'
+
+      :threshold:
+        The relative error threshold above which tally results will be ignored.
+
+        *Default*: 1.0
+
+      :ratio:
+        The ratio of the lower to upper weight window bounds.
+
+        *Default*: 5.0
+
+--------------------------------------
+``<weight_windows_file>`` Element
+--------------------------------------
+
+  The ``weight_windows_file`` element has no attributes and contains the path to
+  a weight windows HDF5 file to load during simulation initialization.
+
diff --git a/docs/source/io_formats/statepoint.rst b/docs/source/io_formats/statepoint.rst
index 89d973a2b..37a379b52 100644
--- a/docs/source/io_formats/statepoint.rst
+++ b/docs/source/io_formats/statepoint.rst
@@ -68,6 +68,8 @@ The current version of the statepoint file format is 17.0.
 :Attributes: - **n_meshes** (*int*) -- Number of meshes in the problem.
              - **ids** (*int[]*) -- User-defined unique ID of each mesh.
 
+.. _mesh-spec-hdf5:
+
 **/tallies/meshes/mesh <uid>/**
 
 :Datasets: - **type** (*char[]*) -- Type of mesh.
diff --git a/docs/source/io_formats/weight_windows.rst b/docs/source/io_formats/weight_windows.rst
new file mode 100644
index 000000000..302e89318
--- /dev/null
+++ b/docs/source/io_formats/weight_windows.rst
@@ -0,0 +1,39 @@
+.. _io_weight_windows:
+
+====================
+Weight Window Format
+====================
+
+The current revision of the weight window file format is 1.0.
+
+**/**
+
+:Attributes: - **filetype** (*char[]*) -- String indicating the type of file.
+             - **version** (*int[2]*) -- Major and minor version of the weight
+               window file format.
+
+**/weight_windows/**
+
+:Attributes: - **n_weight_windows** (*int*) -- Number of weight window objects in the file.
+             - **ids** (*int[]*) -- Unique IDs of weight window objects in the file.
+
+**/weight_windows/weight_windows_<uid>/**
+
+:Datasets: - **mesh** (*int*) -- ID of the mesh associated with the weight window object.
+           - **particle_type** (*char[]*)  -- Particle type to which the weight windows apply.
+           - **energy_bounds** (*double[]*) -- Energy bounds of the weight windows in [eV]
+           - **lower_ww_bounds** (*double[]*) -- Weight window lower bounds.
+           - **upper_ww_bounds** (*double[]*) -- Weight window upper bounds.
+           - **survival_ratio** (*double*) -- Weight window survival ratio.
+           - **max_lower_bound_ratio** (*double*) -- Maximum particle weight to lower weight window bound ratio.
+           - **max_split** (*int*) -- Maximum number of splits per weight window check.
+           - **weight_cutoff** (*double*) -- Particle weight cutoff.
+
+**/meshes/**
+
+:Attributes: - **n_meshes** (*int*) -- Number of meshes in the file.
+             - **ids** (*int[]*) -- User-defined unique ID of each mesh.
+
+**/meshes/mesh <uid>/**
+
+Please see the section on **/tallies/meshes/** in the :doc:`statepoint`.
diff --git a/docs/source/pythonapi/base.rst b/docs/source/pythonapi/base.rst
index c7304f462..ffd521a75 100644
--- a/docs/source/pythonapi/base.rst
+++ b/docs/source/pythonapi/base.rst
@@ -24,7 +24,6 @@ Simulation Settings
    openmc.Source
    openmc.SourceParticle
    openmc.VolumeCalculation
-   openmc.WeightWindows
    openmc.Settings
 
 .. autosummary::
@@ -230,6 +229,19 @@ Various classes may be created when performing tally slicing and/or arithmetic:
    openmc.arithmetic.AggregateNuclide
    openmc.arithmetic.AggregateFilter
 
+Variance Reduction
+------------------
+
+.. autosummary::
+   :toctree: generated
+   :nosignatures:
+   :template: myclass
+
+   openmc.WeightWindows
+   openmc.WeightWindowGenerator
+   openmc.hdf5_to_wws
+
+
 Coarse Mesh Finite Difference Acceleration
 ------------------------------------------
 
diff --git a/docs/source/pythonapi/capi.rst b/docs/source/pythonapi/capi.rst
index 89fa167ff..bce647ccb 100644
--- a/docs/source/pythonapi/capi.rst
+++ b/docs/source/pythonapi/capi.rst
@@ -15,6 +15,8 @@ Functions
    calculate_volumes
    current_batch
    export_properties
+   export_weight_windows
+   import_weight_windows
    finalize
    find_cell
    find_material
diff --git a/include/openmc/capi.h b/include/openmc/capi.h
index ce58bed12..ac69c652f 100644
--- a/include/openmc/capi.h
+++ b/include/openmc/capi.h
@@ -50,6 +50,7 @@ int openmc_extend_meshes(
 int openmc_extend_tallies(int32_t n, int32_t* index_start, int32_t* index_end);
 int openmc_filter_get_id(int32_t index, int32_t* id);
 int openmc_filter_get_type(int32_t index, char* type);
+int openmc_filter_get_num_bins(int32_t index, int* n_bins);
 int openmc_filter_set_id(int32_t index, int32_t id);
 int openmc_finalize();
 int openmc_find_cell(const double* xyz, int32_t* index, int32_t* instance);
@@ -163,6 +164,36 @@ int openmc_tally_set_nuclides(int32_t index, int n, const char** nuclides);
 int openmc_tally_set_scores(int32_t index, int n, const char** scores);
 int openmc_tally_set_type(int32_t index, const char* type);
 int openmc_tally_set_writable(int32_t index, bool writable);
+int openmc_get_weight_windows_index(int32_t id, int32_t* idx);
+int openmc_weight_windows_get_id(int32_t index, int32_t* id);
+int openmc_weight_windows_set_id(int32_t index, int32_t id);
+
+//! Updates weight window values using the specified tally
+//! \param[in] ww_idx Index of the weight window object
+//! \param[in] tally_idx Index of the tally to use for the update
+//! \param[in] value Tally value to use for the update (one of 'mean',
+//! 'rel_err') \param[in] threshold Relative error threshold for applied results
+//! \param[in] ratio Upper to lower weight window bound ratio
+int openmc_weight_windows_update_magic(int32_t ww_idx, int32_t tally_idx,
+  const char* value, double threshold, double ratio);
+
+int openmc_extend_weight_windows(
+  int32_t n, int32_t* index_start, int32_t* index_end);
+int openmc_weight_windows_get_mesh(int32_t index, int32_t* mesh_idx);
+int openmc_weight_windows_set_mesh(int32_t index, int32_t mesh_idx);
+int openmc_weight_windows_set_energy_bounds(
+  int32_t index, double* e_bounds, size_t e_bounds_size);
+int openmc_weight_windows_get_energy_bounds(
+  int32_t index, const double** e_bounds, size_t* e_bounds_size);
+int openmc_weight_windows_set_particle(int32_t index, int particle);
+int openmc_weight_windows_get_particle(int32_t index, int* particle);
+int openmc_weight_windows_get_bounds(int32_t index, const double** lower_bounds,
+  const double** upper_bounds, size_t* size);
+int openmc_weight_windows_set_bounds(int32_t index, const double* lower_bounds,
+  const double* upper_bounds, size_t size);
+size_t openmc_weight_windows_size();
+int openmc_weight_windows_export(const char* filename = nullptr);
+int openmc_weight_windows_import(const char* filename = nullptr);
 int openmc_zernike_filter_get_order(int32_t index, int* order);
 int openmc_zernike_filter_get_params(
   int32_t index, double* x, double* y, double* r);
@@ -170,6 +201,8 @@ int openmc_zernike_filter_set_order(int32_t index, int order);
 int openmc_zernike_filter_set_params(
   int32_t index, const double* x, const double* y, const double* r);
 
+int openmc_particle_filter_get_bins(int32_t idx, int bins[]);
+
 //! Sets the mesh and energy grid for CMFD reweight
 //! \param[in] meshtyally_id id of CMFD Mesh Tally
 //! \param[in] cmfd_indices indices storing spatial and energy dimensions of
diff --git a/include/openmc/constants.h b/include/openmc/constants.h
index b0031fae3..6a77396b7 100644
--- a/include/openmc/constants.h
+++ b/include/openmc/constants.h
@@ -33,6 +33,7 @@ constexpr array<int, 2> VERSION_VOLUME {1, 0};
 constexpr array<int, 2> VERSION_VOXEL {2, 0};
 constexpr array<int, 2> VERSION_MGXS_LIBRARY {1, 0};
 constexpr array<int, 2> VERSION_PROPERTIES {1, 0};
+constexpr array<int, 2> VERSION_WEIGHT_WINDOWS {1, 0};
 
 // ============================================================================
 // ADJUSTABLE PARAMETERS
@@ -276,7 +277,7 @@ enum class MgxsType {
 // ============================================================================
 // TALLY-RELATED CONSTANTS
 
-enum class TallyResult { VALUE, SUM, SUM_SQ };
+enum class TallyResult { VALUE, SUM, SUM_SQ, SIZE };
 
 enum class TallyType { VOLUME, MESH_SURFACE, SURFACE };
 
diff --git a/include/openmc/mesh.h b/include/openmc/mesh.h
index cef4e0518..47f54c023 100644
--- a/include/openmc/mesh.h
+++ b/include/openmc/mesh.h
@@ -88,12 +88,6 @@ public:
   //! \return sampled position within tet
   virtual Position sample(uint64_t* seed, int32_t bin) const = 0;
 
-  //! Get the volume of a mesh bin
-  //
-  //! \param[in] bin Bin to return the volume for
-  //! \return Volume of the bin
-  virtual double volume(int bin) const = 0;
-
   //! Determine which bins were crossed by a particle
   //
   //! \param[in] r0 Previous position of the particle
@@ -125,6 +119,8 @@ public:
   //! Get the number of mesh cell surfaces.
   virtual int n_surface_bins() const = 0;
 
+  int32_t id() const { return id_; }
+
   //! Set the mesh ID
   void set_id(int32_t id = -1);
 
@@ -149,7 +145,15 @@ public:
   //! \param[in] bin Mesh bin to generate a label for
   virtual std::string bin_label(int bin) const = 0;
 
-  //! Return the mesh type
+  //! Get the volume of a mesh bin
+  //
+  //! \param[in] bin Bin to return the volume for
+  //! \return Volume of the bin
+  virtual double volume(int bin) const = 0;
+
+  //! Volumes of all elements in the mesh in bin ordering
+  vector<double> volumes() const;
+
   virtual std::string get_mesh_type() const = 0;
 
   // Data members
@@ -181,8 +185,6 @@ public:
 
   Position sample(uint64_t* seed, int32_t bin) const override;
 
-  double volume(int bin) const override;
-
   int get_bin(Position r) const override;
 
   int n_bins() const override;
@@ -260,6 +262,16 @@ public:
   //! Get shape as xt::xtensor
   xt::xtensor<int, 1> get_x_shape() const;
 
+  double volume(int bin) const override
+  {
+    return this->volume(get_indices_from_bin(bin));
+  }
+
+  //! Get the volume of a specified element
+  //! \param[in] ijk Mesh index to return the volume for
+  //! \return Volume of the bin
+  virtual double volume(const MeshIndex& ijk) const = 0;
+
   // Data members
   xt::xtensor<double, 1> lower_left_;  //!< Lower-left coordinates of mesh
   xt::xtensor<double, 1> upper_right_; //!< Upper-right coordinates of mesh
@@ -331,8 +343,12 @@ public:
   xt::xtensor<double, 1> count_sites(
     const SourceSite* bank, int64_t length, bool* outside) const;
 
+  //! Return the volume for a given mesh index
+  double volume(const MeshIndex& ijk) const override;
+
   // Data members
   double volume_frac_;           //!< Volume fraction of each mesh element
+  double element_volume_;        //!< Volume of each mesh element
   xt::xtensor<double, 1> width_; //!< Width of each mesh element
 };
 
@@ -370,9 +386,13 @@ public:
   //! \param[in] i Direction index
   double negative_grid_boundary(const MeshIndex& ijk, int i) const;
 
-  array<vector<double>, 3> grid_;
+  //! Return the volume for a given mesh index
+  double volume(const MeshIndex& ijk) const override;
 
   int set_grid();
+
+  // Data members
+  array<vector<double>, 3> grid_;
 };
 
 class CylindricalMesh : public PeriodicStructuredMesh {
@@ -398,6 +418,8 @@ public:
 
   void to_hdf5(hid_t group) const override;
 
+  double volume(const MeshIndex& ijk) const override;
+
   array<vector<double>, 3> grid_;
 
   int set_grid();
@@ -478,6 +500,8 @@ private:
     }
   }
 
+  double volume(const MeshIndex& ijk) const override;
+
   inline int sanitize_theta(int idx) const
   {
     return sanitize_angular_index(idx, full_theta_, shape_[1]);
@@ -634,6 +658,10 @@ public:
 
   std::vector<int> connectivity(int id) const override;
 
+  //! Get the volume of a mesh bin
+  //
+  //! \param[in] bin Bin to return the volume for
+  //! \return Volume of the bin
   double volume(int bin) const override;
 
 private:
@@ -791,6 +819,10 @@ public:
 
   std::vector<int> connectivity(int id) const override;
 
+  //! Get the volume of a mesh bin
+  //
+  //! \param[in] bin Bin to return the volume for
+  //! \return Volume of the bin
   double volume(int bin) const override;
 
   libMesh::MeshBase* mesh_ptr() const { return m_; };
diff --git a/include/openmc/output.h b/include/openmc/output.h
index cf5b49607..1ef95a887 100644
--- a/include/openmc/output.h
+++ b/include/openmc/output.h
@@ -59,3 +59,25 @@ void write_tallies();
 
 } // namespace openmc
 #endif // OPENMC_OUTPUT_H
+
+//////////////////////////////////////
+// Custom formatters
+//////////////////////////////////////
+namespace fmt {
+
+template<typename T>
+struct formatter<std::array<T, 2>> {
+  template<typename ParseContext>
+  constexpr auto parse(ParseContext& ctx)
+  {
+    return ctx.begin();
+  }
+
+  template<typename FormatContext>
+  auto format(const std::array<T, 2>& arr, FormatContext& ctx)
+  {
+    return format_to(ctx.out(), "({}, {})", arr[0], arr[1]);
+  }
+};
+
+} // namespace fmt
\ No newline at end of file
diff --git a/include/openmc/settings.h b/include/openmc/settings.h
index f6cbe3138..3ce13c89f 100644
--- a/include/openmc/settings.h
+++ b/include/openmc/settings.h
@@ -29,7 +29,7 @@ extern bool confidence_intervals; //!< use confidence intervals for results?
 extern bool
   create_fission_neutrons; //!< create fission neutrons (fixed source)?
 extern bool create_delayed_neutrons; //!< create delayed fission neutrons?
-extern "C" bool cmfd_run;  //!< is a CMFD run?
+extern "C" bool cmfd_run;            //!< is a CMFD run?
 extern bool
   delayed_photon_scaling;   //!< Scale fission photon yield to include delayed
 extern "C" bool entropy_on; //!< calculate Shannon entropy?
@@ -58,7 +58,7 @@ extern "C" bool trigger_on;        //!< tally triggers enabled?
 extern bool trigger_predict;       //!< predict batches for triggers?
 extern bool ufs_on;                //!< uniform fission site method on?
 extern bool urr_ptables_on;        //!< use unresolved resonance prob. tables?
-extern bool weight_windows_on;     //!< are weight windows are enabled?
+extern "C" bool weight_windows_on; //!< are weight windows are enabled?
 extern bool write_all_tracks;      //!< write track files for every particle?
 extern bool write_initial_source;  //!< write out initial source file?
 
@@ -69,6 +69,8 @@ extern std::string path_output; //!< directory where output files are written
 extern std::string path_particle_restart; //!< path to a particle restart file
 extern std::string path_sourcepoint;      //!< path to a source file
 extern std::string path_statepoint;       //!< path to a statepoint file
+extern std::string weight_windows_file;   //!< Location of weight window file to
+                                          //!< load on simulation initialization
 
 // This is required because the c_str() may not be the first thing in
 // std::string. Sometimes it is, but it seems libc++ may not be like that
diff --git a/include/openmc/tallies/filter_mesh.h b/include/openmc/tallies/filter_mesh.h
index e3bcd7c20..2f48b6d4d 100644
--- a/include/openmc/tallies/filter_mesh.h
+++ b/include/openmc/tallies/filter_mesh.h
@@ -55,9 +55,9 @@ protected:
   //----------------------------------------------------------------------------
   // Data members
 
-  int32_t mesh_;
-  bool translated_ {false};
-  Position translation_ {0.0, 0.0, 0.0};
+  int32_t mesh_;            //!< Index of the mesh
+  bool translated_ {false}; //!< Whether or not the filter is translated
+  Position translation_ {0.0, 0.0, 0.0}; //!< Filter translation
 };
 
 } // namespace openmc
diff --git a/include/openmc/tallies/tally.h b/include/openmc/tallies/tally.h
index 6ad3bef6f..303b1ebb1 100644
--- a/include/openmc/tallies/tally.h
+++ b/include/openmc/tallies/tally.h
@@ -35,6 +35,8 @@ public:
 
   void set_id(int32_t id);
 
+  int id() const { return id_; }
+
   void set_active(bool active) { active_ = active; }
 
   void set_multiply_density(bool value) { multiply_density_ = value; }
@@ -45,16 +47,52 @@ public:
 
   void set_scores(const vector<std::string>& scores);
 
+  std::vector<std::string> scores() const;
+
+  int32_t n_scores() const { return scores_.size(); }
+
   void set_nuclides(pugi::xml_node node);
 
   void set_nuclides(const vector<std::string>& nuclides);
 
+  const xt::xtensor<double, 3>& results() const { return results_; }
+
   //! returns vector of indices corresponding to the tally this is called on
   const vector<int32_t>& filters() const { return filters_; }
 
+  //! returns a vector of filter types for the tally
+  std::vector<FilterType> filter_types() const;
+
+  //! returns a mapping of filter types to index into the tally's filters
+  std::unordered_map<FilterType, int32_t> filter_indices() const;
+
   //! \brief Returns the tally filter at index i
   int32_t filters(int i) const { return filters_[i]; }
 
+  //! \brief Return a const pointer to a filter instance based on type. Always
+  //! returns the first matching filter type
+  template<class T>
+  const T* get_filter() const
+  {
+    const T* out;
+    for (auto filter_idx : filters_) {
+      if ((out = dynamic_cast<T*>(model::tally_filters[filter_idx].get())))
+        return out;
+    }
+    return nullptr;
+  }
+
+  template<class T>
+  const T* get_filter(int idx) const
+  {
+    if (const T* out = dynamic_cast<T*>(model::tally_filters[filters_.at(idx)]))
+      return out;
+    return nullptr;
+  }
+
+  //! \brief Check if this tally has a specified type of filter
+  bool has_filter(FilterType filter_type) const;
+
   void set_filters(gsl::span<Filter*> filters);
 
   //! Given already-set filters, set the stride lengths
@@ -81,6 +119,12 @@ public:
 
   void accumulate();
 
+  //! return the index of a score specified by name
+  int score_index(const std::string& score) const;
+
+  //! Tally results reshaped according to filter sizes
+  xt::xarray<double> get_reshaped_data() const;
+
   //! A string representing the i-th score on this tally
   std::string score_name(int score_idx) const;
 
diff --git a/include/openmc/weight_windows.h b/include/openmc/weight_windows.h
index 45c1de919..75073e917 100644
--- a/include/openmc/weight_windows.h
+++ b/include/openmc/weight_windows.h
@@ -4,6 +4,7 @@
 #include <cstdint>
 #include <unordered_map>
 
+#include <gsl/gsl-lite.hpp>
 #include <hdf5.h>
 #include <pugixml.hpp>
 
@@ -11,104 +12,214 @@
 #include "openmc/memory.h"
 #include "openmc/mesh.h"
 #include "openmc/particle.h"
+#include "openmc/tallies/tally.h"
 #include "openmc/vector.h"
 
-namespace openmc {
+  namespace openmc
+{
 
-//==============================================================================
-// Constants
-//==============================================================================
+  enum class WeightWindowUpdateMethod {
+    MAGIC,
+  };
 
-constexpr double DEFAULT_WEIGHT_CUTOFF {1.0e-38}; // default low weight cutoff
+  //==============================================================================
+  // Constants
+  //==============================================================================
 
-//==============================================================================
-// Non-member functions
-//==============================================================================
+  constexpr double DEFAULT_WEIGHT_CUTOFF {1.0e-38}; // default low weight cutoff
 
-//! Apply weight windows to a particle
-//! \param[in] p  Particle to apply weight windows to
-void apply_weight_windows(Particle& p);
+  //==============================================================================
+  // Non-member functions
+  //==============================================================================
 
-//! Free memory associated with weight windows
-void free_memory_weight_windows();
+  //! Apply weight windows to a particle
+  //! \param[in] p  Particle to apply weight windows to
+  void apply_weight_windows(Particle & p);
 
-//==============================================================================
-// Global variables
-//==============================================================================
+  //! Free memory associated with weight windows
+  void free_memory_weight_windows();
 
-class WeightWindows;
+  //==============================================================================
+  // Global variables
+  //==============================================================================
 
-namespace variance_reduction {
+  class WeightWindows;
+  class WeightWindowsGenerator;
 
-extern std::unordered_map<int32_t, int32_t> ww_map;
-extern vector<unique_ptr<WeightWindows>> weight_windows;
+  namespace variance_reduction {
 
-} // namespace variance_reduction
+  extern std::unordered_map<int32_t, int32_t> ww_map;
+  extern vector<unique_ptr<WeightWindows>> weight_windows;
+  extern vector<unique_ptr<WeightWindowsGenerator>> weight_windows_generators;
 
-//==============================================================================
-//! Individual weight window information
-//==============================================================================
+  } // namespace variance_reduction
 
-struct WeightWindow {
-  double lower_weight {-1}; // -1 indicates invalid state
-  double upper_weight {1};
-  double max_lb_ratio {1};
-  double survival_weight {0.5};
-  double weight_cutoff {DEFAULT_WEIGHT_CUTOFF};
-  int max_split {1};
+  //==============================================================================
+  //! Individual weight window information
+  //==============================================================================
 
-  //! Whether the weight window is in a valid state
-  bool is_valid() const { return lower_weight >= 0.0; }
+  struct WeightWindow {
+    double lower_weight {-1}; // -1 indicates invalid state
+    double upper_weight {1};
+    double max_lb_ratio {1};
+    double survival_weight {0.5};
+    double weight_cutoff {DEFAULT_WEIGHT_CUTOFF};
+    int max_split {1};
 
-  //! Adjust the weight window by a constant factor
-  void scale(double factor)
-  {
-    lower_weight *= factor;
-    upper_weight *= factor;
-  }
-};
+    //! Whether the weight window is in a valid state
+    bool is_valid() const { return lower_weight >= 0.0; }
 
-//==============================================================================
-//! Weight window settings
-//==============================================================================
+    //! Adjust the weight window by a constant factor
+    void scale(double factor)
+    {
+      lower_weight *= factor;
+      upper_weight *= factor;
+    }
+  };
 
-class WeightWindows {
-public:
-  // Constructors
-  WeightWindows();
-  WeightWindows(pugi::xml_node node);
+  //==============================================================================
+  //! Weight window settings
+  //==============================================================================
 
-  // Methods
+  class WeightWindows {
+  public:
+    //----------------------------------------------------------------------------
+    // Constructors
+    WeightWindows(int32_t id = -1);
+    WeightWindows(pugi::xml_node node);
+    ~WeightWindows();
+    static WeightWindows* create(int32_t id = -1);
+    static WeightWindows* from_hdf5(
+      hid_t wws_group, const std::string& group_name);
 
-  //! Set the weight window ID
-  void set_id(int32_t id = -1);
+    //----------------------------------------------------------------------------
+    // Methods
+  private:
+    template<class T>
+    void check_bounds(const T& lower, const T& upper) const;
 
-  // NOTE: This is unused for now but may be used in the future
-  //! Write weight window settings to an HDF5 file
-  //! \param[in] group  HDF5 group to write to
-  void to_hdf5(hid_t group) const;
+    template<class T>
+    void check_bounds(const T& lower) const;
 
-  //! Retrieve the weight window for a particle
-  //! \param[in] p  Particle to get weight window for
-  WeightWindow get_weight_window(const Particle& p) const;
+    void check_tally_update_compatibility(const Tally* tally);
 
-  // Accessors
-  int32_t id() const { return id_; }
-  const Mesh& mesh() const { return *model::meshes[mesh_idx_]; }
+  public:
+    //! Set the weight window ID
+    void set_id(int32_t id = -1);
 
-private:
-  // Data members
-  int32_t id_;                     //!< Unique ID
-  ParticleType particle_type_;     //!< Particle type to apply weight windows to
-  vector<double> energy_bounds_;   //!< Energy boundaries [eV]
-  vector<double> lower_ww_;        //!< Lower weight window bounds
-  vector<double> upper_ww_;        //!< Upper weight window bounds
-  double survival_ratio_ {3.0};    //!< Survival weight ratio
-  double max_lb_ratio_ {1.0}; //!< Maximum lower bound to particle weight ratio
-  double weight_cutoff_ {DEFAULT_WEIGHT_CUTOFF}; //!< Weight cutoff
-  int max_split_ {10};             //!< Maximum value for particle splitting
-  int32_t mesh_idx_;               //!< index in meshes vector
-};
+    void set_energy_bounds(gsl::span<const double> bounds);
+
+    void set_mesh(const std::unique_ptr<Mesh>& mesh);
+
+    void set_mesh(const Mesh* mesh);
+
+    void set_mesh(int32_t mesh_idx);
+
+    //! Ready the weight window class for use
+    void set_defaults();
+
+    //! Update weight window boundaries using tally results
+    //! \param[in] tally Pointer to the tally whose results will be used to
+    //! update weight windows \param[in] value String representing the type of
+    //! value to use for weight window generation (one of "mean" or "rel_err")
+    //! \param[in] threshold Relative error threshold. Results over this
+    //! threshold will be ignored \param[in] ratio Ratio of upper to lower
+    //! weight window bounds
+    void update_magic(const Tally* tally, const std::string& value = "mean",
+      double threshold = 1.0, double ratio = 5.0);
+
+    // NOTE: This is unused for now but may be used in the future
+    //! Write weight window settings to an HDF5 file
+    //! \param[in] group  HDF5 group to write to
+    void to_hdf5(hid_t group) const;
+
+    //! Retrieve the weight window for a particle
+    //! \param[in] p  Particle to get weight window for
+    WeightWindow get_weight_window(const Particle& p) const;
+
+    std::array<int, 2> bounds_size() const;
+
+    const vector<double>& energy_bounds() const { return energy_bounds_; }
+
+    void set_bounds(const xt::xtensor<double, 2>& lower_ww_bounds,
+      const xt::xtensor<double, 2>& upper_bounds);
+
+    void set_bounds(const xt::xtensor<double, 2>& lower_bounds, double ratio);
+
+    void set_bounds(gsl::span<const double> lower_bounds,
+      gsl::span<const double> upper_bounds);
+
+    void set_bounds(gsl::span<const double> lower_bounds, double ratio);
+
+    void set_particle_type(ParticleType p_type);
+
+    //----------------------------------------------------------------------------
+    // Accessors
+    int32_t id() const { return id_; }
+    int32_t& id() { return id_; }
+
+    int32_t index() const { return index_; }
+
+    vector<double>& energy_bounds() { return energy_bounds_; }
+
+    const std::unique_ptr<Mesh>& mesh() const
+    {
+      return model::meshes[mesh_idx_];
+    }
+
+    const xt::xtensor<double, 2>& lower_ww_bounds() const { return lower_ww_; }
+    xt::xtensor<double, 2>& lower_ww_bounds() { return lower_ww_; }
+
+    const xt::xtensor<double, 2>& upper_ww_bounds() const { return upper_ww_; }
+    xt::xtensor<double, 2>& upper_ww_bounds() { return upper_ww_; }
+
+    ParticleType particle_type() const { return particle_type_; }
+
+  private:
+    //----------------------------------------------------------------------------
+    // Data members
+    int32_t id_;       //!< Unique ID
+    gsl::index index_; //!< Index into weight windows vector
+    ParticleType particle_type_ {
+      ParticleType::neutron};      //!< Particle type to apply weight windows to
+    vector<double> energy_bounds_; //!< Energy boundaries [eV]
+    xt::xtensor<double, 2> lower_ww_; //!< Lower weight window bounds (shape:
+                                      //!< energy_bins, mesh_bins (k, j, i))
+    xt::xtensor<double, 2>
+      upper_ww_; //!< Upper weight window bounds (shape: energy_bins, mesh_bins)
+    double survival_ratio_ {3.0}; //!< Survival weight ratio
+    double max_lb_ratio_ {
+      1.0}; //!< Maximum lower bound to particle weight ratio
+    double weight_cutoff_ {DEFAULT_WEIGHT_CUTOFF}; //!< Weight cutoff
+    int max_split_ {10}; //!< Maximum value for particle splitting
+    int32_t mesh_idx_;   //!< Index in meshes vector
+  };
+
+  class WeightWindowsGenerator {
+  public:
+    // Constructors
+    WeightWindowsGenerator(pugi::xml_node node);
+
+    // Methods
+    void update() const;
+
+    // Data members
+    int32_t
+      tally_idx_;    //!< Index of the tally used to update the weight windows
+    int32_t ww_idx_; //!< Index of the weight windows object being generated
+    std::string method_; //!< Method used to update weight window. Only "magic"
+                         //!< is valid for now.
+    int32_t max_realizations_; //!< Maximum number of tally realizations
+    int32_t update_interval_;  //!< Determines how often updates occur
+    bool on_the_fly_;          //!< Whether or not weight windows
+
+    // MAGIC update parameters
+    std::string tally_value_ {
+      "mean"}; //<! Tally value to use (one of {"mean", "rel_err"})
+    double threshold_ {1.0}; //<! Relative error threshold for values used to
+                             //update weight windows
+    double ratio_ {5.0};     //<! ratio of lower to upper weight window bounds
+  };
 
 } // namespace openmc
 #endif // OPENMC_WEIGHT_WINDOWS_H
diff --git a/openmc/lib/__init__.py b/openmc/lib/__init__.py
index eef18be88..0e5ad92fe 100644
--- a/openmc/lib/__init__.py
+++ b/openmc/lib/__init__.py
@@ -54,6 +54,7 @@ def _libmesh_enabled():
 def _mcpl_enabled():
     return c_bool.in_dll(_dll, "MCPL_ENABLED").value
 
+
 from .error import *
 from .core import *
 from .nuclide import *
@@ -65,6 +66,7 @@ from .tally import *
 from .settings import settings
 from .math import *
 from .plot import *
+from .weight_windows import *
 
 # Flag to denote whether or not openmc.lib.init has been called
 # TODO: Establish and use a flag in the C++ code to represent the status of the
diff --git a/openmc/lib/core.py b/openmc/lib/core.py
index 479e414ae..8d6442637 100644
--- a/openmc/lib/core.py
+++ b/openmc/lib/core.py
@@ -11,6 +11,7 @@ from numpy.ctypeslib import as_array
 
 from . import _dll
 from .error import _error_handler
+from openmc.checkvalue import PathLike
 import openmc.lib
 import openmc
 
@@ -102,7 +103,6 @@ _dll.openmc_sample_external_source.argtypes = [c_size_t, POINTER(c_uint64), POIN
 _dll.openmc_sample_external_source.restype = c_int
 _dll.openmc_sample_external_source.errcheck = _error_handler
 
-
 def global_bounding_box():
     """Calculate a global bounding box for the model"""
     inf = sys.float_info.max
@@ -171,6 +171,54 @@ def export_properties(filename=None, output=True):
         _dll.openmc_properties_export(filename)
 
 
+def export_weight_windows(filename="weight_windows.h5", output=True):
+    """Export weight windows.
+
+    .. versionadded:: 0.13.4
+
+    Parameters
+    ----------
+    filename : PathLike or None
+        Filename to export weight windows to
+    output : bool, optional
+        Whether or not to show output.
+
+    See Also
+    --------
+    openmc.lib.import_weight_windows
+
+    """
+    if filename is not None:
+        filename = c_char_p(str(filename).encode())
+
+    with quiet_dll(output):
+        _dll.openmc_weight_windows_export(filename)
+
+
+def import_weight_windows(filename='weight_windows.h5', output=True):
+    """Import weight windows.
+
+    .. versionadded:: 0.13.4
+
+    Parameters
+    ----------
+    filename : PathLike or None
+        Filename to import weight windows from
+    output : bool, optional
+        Whether or not to show output.
+
+    See Also
+    --------
+    openmc.lib.export_weight_windows
+
+    """
+    if filename is not None:
+        filename = c_char_p(str(filename).encode())
+
+    with quiet_dll(output):
+        _dll.openmc_weight_windows_import(filename)
+
+
 def finalize():
     """Finalize simulation and free memory"""
     _dll.openmc_finalize()
diff --git a/openmc/lib/filter.py b/openmc/lib/filter.py
index 04da92459..8b175dd02 100644
--- a/openmc/lib/filter.py
+++ b/openmc/lib/filter.py
@@ -8,6 +8,7 @@ from numpy.ctypeslib import as_array
 
 from openmc.exceptions import AllocationError, InvalidIDError
 from openmc.data.function import INTERPOLATION_SCHEME
+from openmc import ParticleType
 from . import _dll
 from .core import _FortranObjectWithID
 from .error import _error_handler
@@ -57,6 +58,9 @@ _dll.openmc_energyfunc_filter_set_interpolation.argtypes = [c_int32, c_char_p]
 _dll.openmc_filter_get_id.argtypes = [c_int32, POINTER(c_int32)]
 _dll.openmc_filter_get_id.restype = c_int
 _dll.openmc_filter_get_id.errcheck = _error_handler
+_dll.openmc_filter_get_num_bins.argtypes = [c_int32, POINTER(c_int)]
+_dll.openmc_filter_get_num_bins.restype = c_int
+_dll.openmc_filter_get_num_bins.errchck = _error_handler
 _dll.openmc_filter_get_type.argtypes = [c_int32, c_char_p]
 _dll.openmc_filter_get_type.restype = c_int
 _dll.openmc_filter_get_type.errcheck = _error_handler
@@ -120,7 +124,6 @@ _dll.openmc_zernike_filter_set_order.restype = c_int
 _dll.openmc_zernike_filter_set_order.errcheck = _error_handler
 _dll.tally_filters_size.restype = c_size_t
 
-
 class Filter(_FortranObjectWithID):
     __instances = WeakValueDictionary()
 
@@ -163,6 +166,12 @@ class Filter(_FortranObjectWithID):
     def id(self, filter_id):
         _dll.openmc_filter_set_id(self._index, filter_id)
 
+    @property
+    def n_bins(self):
+        n = c_int()
+        _dll.openmc_filter_get_num_bins(self._index, n)
+        return n.value
+
 
 class EnergyFilter(Filter):
     filter_type = 'energy'
@@ -398,6 +407,13 @@ class MuFilter(Filter):
 class ParticleFilter(Filter):
     filter_type = 'particle'
 
+    @property
+    def bins(self):
+        particle_i = np.zeros((self.n_bins,), dtype=c_int)
+        _dll.openmc_particle_filter_get_bins(
+            self._index, particle_i.ctypes.data_as(POINTER(c_int)))
+        return [ParticleType(i) for i in particle_i]
+
 
 class PolarFilter(Filter):
     filter_type = 'polar'
diff --git a/openmc/lib/mesh.py b/openmc/lib/mesh.py
index 84571628c..72d61cc66 100644
--- a/openmc/lib/mesh.py
+++ b/openmc/lib/mesh.py
@@ -11,7 +11,7 @@ from . import _dll
 from .core import _FortranObjectWithID
 from .error import _error_handler
 
-__all__ = ['RegularMesh', 'RectilinearMesh', 'CylindricalMesh', 'SphericalMesh', 'meshes']
+__all__ = ['RegularMesh', 'RectilinearMesh', 'CylindricalMesh', 'SphericalMesh', 'UnstructuredMesh', 'meshes']
 
 # Mesh functions
 _dll.openmc_extend_meshes.argtypes = [c_int32, c_char_p, POINTER(c_int32),
@@ -504,11 +504,16 @@ class SphericalMesh(Mesh):
                                               ntheta, phi_grid, nphi)
 
 
+class UnstructuredMesh(Mesh):
+    pass
+
+
 _MESH_TYPE_MAP = {
     'regular': RegularMesh,
     'rectilinear': RectilinearMesh,
     'cylindrical': CylindricalMesh,
-    'spherical': SphericalMesh
+    'spherical': SphericalMesh,
+    'unstructured': UnstructuredMesh
 }
 
 
diff --git a/openmc/lib/settings.py b/openmc/lib/settings.py
index 9225c2d4e..6a7e5aa12 100644
--- a/openmc/lib/settings.py
+++ b/openmc/lib/settings.py
@@ -35,6 +35,7 @@ class _Settings:
     run_CE = _DLLGlobal(c_bool, 'run_CE')
     verbosity = _DLLGlobal(c_int, 'verbosity')
     event_based = _DLLGlobal(c_bool, 'event_based')
+    weight_windows_on = _DLLGlobal(c_bool, 'weight_windows_on')
 
     @property
     def run_mode(self):
diff --git a/openmc/lib/tally.py b/openmc/lib/tally.py
index 83c28528e..b8e048974 100644
--- a/openmc/lib/tally.py
+++ b/openmc/lib/tally.py
@@ -280,6 +280,30 @@ class Tally(_FortranObjectWithID):
 
         _dll.openmc_tally_set_filters(self._index, n, indices)
 
+    def find_filter(self, filter_type):
+        """
+        Returns the first instance of a filter matching the specified type
+
+        Parameters
+        ----------
+        filter_type : subclass of openmc.lib.Filter
+            The filter type to match when retrieving a filter instance
+
+        Returns
+        -------
+        filter : openmc.lib.Filter
+            The filter instance matching the input filter type
+
+        Raises
+        ------
+        ValueError if a filter instance matching the input filter type cannot be found.
+        """
+        for filter in self.filters:
+            if isinstance(filter, filter_type):
+                return filter
+
+        raise ValueError(f'No filter of type {filter_type} on tally {self.id}')
+
     @property
     def mean(self):
         n = self.num_realizations
diff --git a/openmc/lib/weight_windows.py b/openmc/lib/weight_windows.py
new file mode 100644
index 000000000..e881f1d31
--- /dev/null
+++ b/openmc/lib/weight_windows.py
@@ -0,0 +1,323 @@
+from collections.abc import Mapping
+from ctypes import c_double, c_int, c_int32, c_char_p, c_size_t, POINTER
+from weakref import WeakValueDictionary
+
+import numpy as np
+from numpy.ctypeslib import as_array
+
+from openmc import ParticleType
+from openmc.exceptions import AllocationError, InvalidIDError
+from . import _dll
+from .core import _FortranObjectWithID
+from .error import _error_handler
+from .filter import EnergyFilter, MeshFilter, ParticleFilter
+from .mesh import _get_mesh
+from .mesh import meshes
+
+
+__all__ = ['WeightWindows', 'weight_windows']
+
+_dll.openmc_extend_weight_windows.argtypes = [c_int32, POINTER(c_int32), POINTER(c_int32)]
+
+_dll.openmc_weight_windows_update_magic.argtypes = 2*[c_int32] + [c_char_p] + 2*[c_double]
+_dll.openmc_weight_windows_update_magic.restype = c_int
+_dll.openmc_weight_windows_update_magic.errcheck = _error_handler
+
+_dll.openmc_weight_windows_size.restype = c_size_t
+
+_dll.openmc_get_weight_windows_index.argtypes = [c_int32, POINTER(c_int32)]
+_dll.openmc_get_weight_windows_index.restype = c_int
+_dll.openmc_get_weight_windows_index.errcheck = _error_handler
+
+_dll.openmc_weight_windows_get_id.argtypes = [c_int32, POINTER(c_int32)]
+_dll.openmc_weight_windows_get_id.restype = c_int
+_dll.openmc_weight_windows_get_id.errcheck = _error_handler
+
+_dll.openmc_weight_windows_set_id.argtypes = [c_int32, c_int32]
+_dll.openmc_weight_windows_set_id.restype = c_int
+_dll.openmc_weight_windows_set_id.errcheck = _error_handler
+
+_dll.openmc_weight_windows_set_mesh.argtypes = [c_int32, c_int32]
+_dll.openmc_weight_windows_set_mesh.restype = c_int
+_dll.openmc_weight_windows_set_mesh.errcheck = _error_handler
+
+_dll.openmc_weight_windows_get_mesh.argtypes = [c_int32, POINTER(c_int32)]
+_dll.openmc_weight_windows_get_mesh.restype = c_int
+_dll.openmc_weight_windows_get_mesh.errcheck = _error_handler
+
+_dll.openmc_weight_windows_set_energy_bounds.argtypes = [c_int32, POINTER(c_double), c_size_t]
+_dll.openmc_weight_windows_set_energy_bounds.restype = c_int
+_dll.openmc_weight_windows_set_energy_bounds.errcheck = _error_handler
+
+_dll.openmc_weight_windows_get_energy_bounds.argtypes = [c_int32, POINTER(POINTER(c_double)), POINTER(c_size_t)]
+_dll.openmc_weight_windows_get_energy_bounds.restype = c_int
+_dll.openmc_weight_windows_get_energy_bounds.errcheck = _error_handler
+
+_dll.openmc_weight_windows_set_particle.argtypes = [c_int32, c_int]
+_dll.openmc_weight_windows_set_particle.restype = c_int
+_dll.openmc_weight_windows_set_particle.errcheck = _error_handler
+
+_dll.openmc_weight_windows_get_particle.argtypes = [c_int32, POINTER(c_int)]
+_dll.openmc_weight_windows_get_particle.restype = c_int
+_dll.openmc_weight_windows_get_particle.errcheck = _error_handler
+
+_dll.openmc_weight_windows_set_bounds.argtypes = [c_int32, POINTER(c_double), POINTER(c_double), c_size_t]
+_dll.openmc_weight_windows_set_bounds.restype = c_int
+_dll.openmc_weight_windows_set_bounds.errcheck = _error_handler
+
+_dll.openmc_weight_windows_get_bounds.argtypes = [c_int32, POINTER(POINTER(c_double)), POINTER(POINTER(c_double)), POINTER(c_size_t)]
+_dll.openmc_weight_windows_get_bounds.restype = c_int
+_dll.openmc_weight_windows_get_bounds.errcheck = _error_handler
+
+
+class WeightWindows(_FortranObjectWithID):
+    """WeightWindows stored internally.
+
+    This class exposes a weight windows object that is stored internally in the
+    OpenMC library. To obtain a view of a weight windows object with a given ID,
+    use the :data:`openmc.lib.weight_windows` mapping.
+
+    .. versionadded:: 0.13.4
+
+    Parameters
+    ----------
+    id : int or None
+        Unique ID of the weight windows
+    new : bool
+        When `index` is None, this argument controls whether a new object is
+        created or a view of an existing object is returned.
+    index : int or None
+        Index in the `weight_windows` array.
+
+    Attributes
+    ----------
+    id : int
+        ID of the weight windows object
+    mesh : openmc.lib.Mesh
+        Mesh used for the weight windows
+    particle : openmc.ParticleType
+        The particle type to which these weight windows apply
+    energy_bounds : numpy.ndarray
+        The energy bounds for the weight windows
+    bounds : numpy.ndarray
+        The weight window bounds
+    """
+    __instances = WeakValueDictionary()
+
+    def __new__(cls, id=None, new=True, index=None):
+        mapping = weight_windows
+
+        if index is None:
+            if new:
+                # Determine ID to assign
+                if id is None:
+                    id = max(mapping, default=0) + 1
+                else:
+                    if id in mapping:
+                        raise AllocationError(f'A weight windows object with ID={id} '
+                                              'has already been allocated.')
+
+                index = c_int32()
+                _dll.openmc_extend_weight_windows(1, index, None)
+                index = index.value
+            else:
+                index = mapping[id]._index
+
+        if index not in cls.__instances:
+            instance = super().__new__(cls)
+            instance._index = index
+            if id is not None:
+                instance.id = id
+            cls.__instances[index] = instance
+
+        return cls.__instances[index]
+
+    @property
+    def id(self):
+        ww_id = c_int32()
+        _dll.openmc_weight_windows_get_id(self._index, ww_id)
+        return ww_id.value
+
+    @id.setter
+    def id(self, ww_id):
+        _dll.openmc_weight_windows_set_id(self._index, ww_id)
+
+    @property
+    def mesh(self):
+        mesh_idx = c_int32()
+        _dll.openmc_weight_windows_get_mesh(self._index, mesh_idx)
+        return _get_mesh(mesh_idx.value)
+
+    @mesh.setter
+    def mesh(self, mesh):
+        _dll.openmc_weight_windows_set_mesh(
+            weight_windows[self.id]._index, meshes[mesh.id]._index)
+
+    @property
+    def energy_bounds(self):
+        data = POINTER(c_double)()
+        n = c_size_t()
+        _dll.openmc_weight_windows_get_energy_bounds(self._index, data, n)
+        return as_array(data, (n.value,))
+
+    @energy_bounds.setter
+    def energy_bounds(self, e_bounds):
+        e_bounds_arr = np.asarray(e_bounds, dtype=float)
+        e_bounds_ptr = e_bounds_arr.ctypes.data_as(POINTER(c_double))
+        _dll.openmc_weight_windows_set_energy_bounds(
+            self._index, e_bounds_ptr, e_bounds_arr.size)
+
+    @property
+    def particle(self):
+        val = c_int()
+        _dll.openmc_weight_windows_get_particle(self._index, val)
+        return ParticleType(val.value)
+
+    @particle.setter
+    def particle(self, p):
+        if isinstance(p, str):
+            p = ParticleType.from_string(p)
+        else:
+            p = ParticleType(p)
+        _dll.openmc_weight_windows_set_particle(self._index, int(p))
+
+    @property
+    def bounds(self):
+        upper = POINTER(c_double)()
+        lower = POINTER(c_double)()
+        size = c_size_t()
+        _dll.openmc_weight_windows_get_bounds(self._index, lower, upper, size)
+        lower_arr = as_array(lower, (size.value,))
+        upper_arr = as_array(upper, (size.value,))
+        return (lower_arr, upper_arr)
+
+    @bounds.setter
+    def bounds(self, bounds):
+        lower = np.asarray(bounds[0])
+        upper = np.asarray(bounds[1])
+
+        lower_p = lower.ctypes.data_as(POINTER(c_double))
+        upper_p = upper.ctypes.data_as(POINTER(c_double))
+
+        _dll.openmc_weight_windows_set_bounds(self._index, lower_p, upper_p, lower.size)
+
+    def update_magic(self, tally, value='mean', threshold=1.0, ratio=5.0):
+        """Update weight window values using the MAGIC method
+
+        Reference: https://inis.iaea.org/search/48022314
+
+        Parameters
+        ----------
+        tally : openmc.lib.Tally object
+            The tally used to update weight window information
+        value : str
+            Value type used to generate weight windows. One of {'mean', 'rel_err'}.
+        threshold : float
+            Threshold for relative error of results used to generate weight window bounds
+        ratio : float
+            Ratio of the lower to upper weight window bounds
+
+        """
+        _dll.openmc_weight_windows_update_magic(self._index,
+                                                tally._index,
+                                                c_char_p(value.encode()),
+                                                threshold,
+                                                ratio)
+
+    @classmethod
+    def from_tally(cls, tally, particle=ParticleType.NEUTRON):
+        """Create an instance of the WeightWindows class based on the specified tally.
+
+        Parameters
+        ----------
+        tally : openmc.lib.Tally
+            The tally used to create the WeightWindows instance.
+        particle : openmc.ParticleType or str, optional
+            The particle type to use for the WeightWindows instance. Should be
+            specified as an instance of ParticleType or as a string with a value of
+            'neutron' or 'photon'.
+
+        Returns
+        -------
+        WeightWindows
+            The WeightWindows instance created from the specified tally.
+
+        Raises
+        ------
+        ValueError
+            If the particle parameter is not an instance of ParticleType or a string.
+        ValueError
+            If the particle parameter is not a valid particle type (i.e., not 'neutron'
+            or 'photon').
+        ValueError
+            If the specified particle is not included in the bins of the ParticleFilter
+            of the tally.
+        ValueError
+            If the tally does not have a MeshFilter.
+        """
+        # do some checks on particle value
+        if not isinstance(particle, (ParticleType, str)):
+            raise ValueError(f"Parameter 'particle' must be {ParticleType} or one of ('neutron', 'photon').")
+
+        # convert particle type if needed
+        if isinstance(particle, str):
+            particle = ParticleType.from_string(particle)
+
+        if particle not in (ParticleType.NEUTRON, ParticleType.PHOTON):
+            raise ValueError('Weight windows can only be applied for neutrons or photons')
+
+        try:
+            particle_filter = tally.find_filter(ParticleFilter)
+        except ValueError:
+            particle_filter = None
+
+        # ensure that the tally won't filter out the specified particle
+        if particle_filter is not None and particle not in particle_filter.bins:
+            raise ValueError(f'Specified tally for weight windows (Tally {tally.id})'
+                             f' does not track the requested particle: "{particle}"')
+
+        # tally must have a mesh filter
+        mesh_filter = tally.find_filter(MeshFilter)
+
+        # create a new weight windows instance
+        out = cls()
+
+        # set mesh and particle
+        out.mesh = mesh_filter.mesh
+        out.particle = particle
+
+        # set energy bounds if needed
+        try:
+            energy_filter = tally.find_filter(EnergyFilter)
+        except ValueError:
+            energy_filter = None
+
+        if energy_filter is not None:
+            out.energy_bounds = energy_filter.bins
+
+        return out
+
+
+class _WeightWindowsMapping(Mapping):
+    def __getitem__(self, key):
+        index = c_int32()
+        try:
+            _dll.openmc_get_weight_windows_index(key, index)
+        except (AllocationError, InvalidIDError) as e:
+            raise KeyError(str(e))
+        return WeightWindows(index=index.value)
+
+    def __iter__(self):
+        for i in range(len(self)):
+            yield WeightWindows(index=i).id
+
+    def __len__(self):
+        return _dll.openmc_weight_windows_size()
+
+    def __repr__(self):
+        return repr(dict(self))
+
+    def __delitem__(self):
+        raise NotImplementedError("WeightWindows object remove not implemented")
+
+weight_windows = _WeightWindowsMapping()
\ No newline at end of file
diff --git a/openmc/settings.py b/openmc/settings.py
index 12703fbfd..8b6d5f0fe 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -13,7 +13,8 @@ import lxml.etree as ET
 import openmc.checkvalue as cv
 from openmc.stats.multivariate import MeshSpatial
 
-from . import RegularMesh, Source, VolumeCalculation, WeightWindows
+from . import (RegularMesh, Source, VolumeCalculation, WeightWindows,
+               WeightWindowGenerator)
 from ._xml import clean_indentation, get_text, reorder_attributes
 from openmc.checkvalue import PathLike
 from .mesh import _read_meshes
@@ -223,10 +224,15 @@ class Settings:
         described in :ref:`verbosity`.
     volume_calculations : VolumeCalculation or iterable of VolumeCalculation
         Stochastic volume calculation specifications
-    weight_windows : WeightWindows iterable of WeightWindows
+    weight_windows : WeightWindows or iterable of WeightWindows
         Weight windows to use for variance reduction
 
         .. versionadded:: 0.13
+    weight_window_generators : WeightWindowGenerator or iterable of WeightWindowGenerator
+        Weight windows generation parameters to apply during simulation
+
+        .. versionadded:: 0.13.4
+
     create_delayed_neutrons : bool
         Whether delayed neutrons are created in fission.
 
@@ -235,6 +241,11 @@ class Settings:
         Whether weight windows are enabled
 
         .. versionadded:: 0.13
+
+    weight_windows_file: Pathlike
+        Path to a weight window file to load during simulation initialization
+
+        .. versionadded::0.13.4
     write_initial_source : bool
         Indicate whether to write the initial source distribution to file
     """
@@ -311,7 +322,9 @@ class Settings:
         self._max_particles_in_flight = None
         self._write_initial_source = None
         self._weight_windows = cv.CheckedList(WeightWindows, 'weight windows')
+        self._weight_window_generators = cv.CheckedList(WeightWindowGenerator, 'weight window generators')
         self._weight_windows_on = None
+        self._weight_windows_file = None
         self._max_splits = None
         self._max_tracks = None
 
@@ -502,6 +515,25 @@ class Settings:
     def weight_windows_on(self) -> bool:
         return self._weight_windows_on
 
+    @property
+    def weight_windows_file(self) -> Optional[PathLike]:
+        return self._weight_windows_file
+
+    @weight_windows_file.setter
+    def weight_windows_file(self, value: PathLike):
+        cv.check_type('weight windows file', value, (str, Path))
+        self._weight_windows_file = value
+
+    @property
+    def weight_window_generators(self) -> typing.List[WeightWindowGenerator]:
+        return self._weight_window_generators
+
+    @weight_window_generators.setter
+    def weight_window_generators(self, wwgs):
+        if not isinstance(wwgs, MutableSequence):
+            wwgs = [wwgs]
+        self._weight_window_generators = cv.CheckedList(WeightWindowGenerator, 'weight window generators', wwgs)
+
     @property
     def max_splits(self) -> int:
         return self._max_splits
@@ -922,7 +954,7 @@ class Settings:
         self._weight_windows = cv.CheckedList(WeightWindows, 'weight windows', value)
 
     @weight_windows_on.setter
-    def weight_windows_on(self, value):
+    def weight_windows_on(self, value: bool):
         cv.check_type('weight windows on', value, bool)
         self._weight_windows_on = value
 
@@ -1283,6 +1315,28 @@ class Settings:
             elem = ET.SubElement(root, "weight_windows_on")
             elem.text = str(self._weight_windows_on).lower()
 
+    def _create_weight_window_generators_subelement(self, root, mesh_memo=None):
+        if not self.weight_window_generators:
+            return
+        elem = ET.SubElement(root, 'weight_window_generators')
+        for wwg in self.weight_window_generators:
+            elem.append(wwg.to_xml_element())
+
+        # ensure that mesh elements are created if needed
+        for wwg in self.weight_window_generators:
+            if mesh_memo is not None and wwg.mesh.id in mesh_memo:
+                continue
+
+            root.append(wwg.mesh.to_xml_element())
+            if mesh_memo is not None:
+                mesh_memo.add(wwg.mesh)
+
+    def _create_weight_windows_file_element(self, root):
+        if self.weight_windows_file is not None:
+            element = ET.Element("weight_windows_file")
+            element.text = self.weight_windows_file
+            root.append(element)
+
     def _create_max_splits_subelement(self, root):
         if self._max_splits is not None:
             elem = ET.SubElement(root, "max_splits")
@@ -1595,6 +1649,11 @@ class Settings:
         if text is not None:
             self.write_initial_source = text in ('true', '1')
 
+    def _weight_window_generators_from_xml_element(self, root, meshes=None):
+        for elem in root.iter('weight_windows_generator'):
+            wwg = WeightWindowGenerator.from_xml_element(elem, meshes)
+            self.weight_window_generators.append(wwg)
+
     def _weight_windows_from_xml_element(self, root, meshes=None):
         for elem in root.findall('weight_windows'):
             ww = WeightWindows.from_xml_element(elem, root)
@@ -1671,6 +1730,8 @@ class Settings:
         self._create_log_grid_bins_subelement(element)
         self._create_write_initial_source_subelement(element)
         self._create_weight_windows_subelement(element, mesh_memo)
+        self._create_weight_window_generators_subelement(element, mesh_memo)
+        self._create_weight_windows_file_element(element)
         self._create_max_splits_subelement(element)
         self._create_max_tracks_subelement(element)
 
@@ -1764,6 +1825,7 @@ class Settings:
         settings._log_grid_bins_from_xml_element(elem)
         settings._write_initial_source_from_xml_element(elem)
         settings._weight_windows_from_xml_element(elem, meshes)
+        settings._weight_window_generators_from_xml_element(elem, meshes)
         settings._max_splits_from_xml_element(elem)
         settings._max_tracks_from_xml_element(elem)
 
diff --git a/openmc/source.py b/openmc/source.py
index 9851ea59d..cc68c9535 100644
--- a/openmc/source.py
+++ b/openmc/source.py
@@ -1,11 +1,11 @@
 from collections.abc import Iterable
-from enum import Enum
+from enum import IntEnum
 from numbers import Real
 import warnings
 import typing  # imported separately as py3.8 requires typing.Iterable
 # also required to prevent typing.Union namespace overwriting Union
 from typing import Optional, Sequence
-import lxml.etree as ET 
+import lxml.etree as ET
 
 import numpy as np
 import h5py
@@ -333,12 +333,53 @@ class Source:
         return source
 
 
-class ParticleType(Enum):
+class ParticleType(IntEnum):
+    """
+    IntEnum class representing a particle type. Type
+    values mirror those found in the C++ class.
+    """
     NEUTRON = 0
     PHOTON = 1
     ELECTRON = 2
     POSITRON = 3
 
+    @classmethod
+    def from_string(cls, value: str):
+        """
+        Constructs a ParticleType instance from a string.
+
+        Parameters
+        ----------
+        value : str
+            The string representation of the particle type.
+
+        Returns
+        -------
+        The corresponding ParticleType instance.
+        """
+        try:
+            return cls[value.upper()]
+        except KeyError:
+            raise ValueError(f"Invalid string for creation of {cls.__name__}: {value}")
+
+    def __repr__(self) -> str:
+        """
+        Returns a string representation of the ParticleType instance.
+
+        Returns:
+            str: The lowercase name of the ParticleType instance.
+        """
+        return self.name.lower()
+
+    # needed for < Python 3.11
+    def __str__(self) -> str:
+        return self.__repr__()
+
+    # needed for <= 3.7, IntEnum will use the mixed-in type's `__format__` method otherwise
+    # this forces it to default to the standard object format, relying on __str__ under the hood
+    def __format__(self, spec):
+        return object.__format__(self, spec)
+
 
 class SourceParticle:
     """Source particle
diff --git a/openmc/tallies.py b/openmc/tallies.py
index 85daaa17a..6f56fbb64 100644
--- a/openmc/tallies.py
+++ b/openmc/tallies.py
@@ -3222,7 +3222,6 @@ class Tallies(cv.CheckedList):
 
         return element
 
-
     def export_to_xml(self, path='tallies.xml'):
         """Create a tallies.xml file that can be used for a simulation.
 
diff --git a/openmc/tracks.py b/openmc/tracks.py
index 9b4b55247..61e5a7244 100644
--- a/openmc/tracks.py
+++ b/openmc/tracks.py
@@ -25,8 +25,7 @@ states : numpy.ndarray
 
 """
 def _particle_track_repr(self):
-    name = self.particle.name.lower()
-    return f"<ParticleTrack: {name}, {len(self.states)} states>"
+    return f"<ParticleTrack: {self.particle}, {len(self.states)} states>"
 ParticleTrack.__repr__ = _particle_track_repr
 
 
diff --git a/openmc/weight_windows.py b/openmc/weight_windows.py
index c09e1e862..2411b83f8 100644
--- a/openmc/weight_windows.py
+++ b/openmc/weight_windows.py
@@ -2,19 +2,20 @@ from __future__ import annotations
 from collections.abc import Iterable
 from numbers import Real, Integral
 import pathlib
-import typing
 from typing import Iterable, List, Optional, Union, Dict
+import warnings
 
 import lxml.etree as ET
 import numpy as np
 import h5py
 
+import openmc
 from openmc.filter import _PARTICLES
 from openmc.mesh import MeshBase, RectilinearMesh, UnstructuredMesh
 import openmc.checkvalue as cv
 from openmc.checkvalue import PathLike
 
-from ._xml import get_text
+from ._xml import get_text, clean_indentation
 from .mixin import IDManagerMixin
 
 
@@ -108,8 +109,8 @@ class WeightWindows(IDManagerMixin):
     used_ids = set()
 
     def __init__(
-        self, 
-        mesh: MeshBase, 
+        self,
+        mesh: MeshBase,
         lower_ww_bounds: Iterable[float],
         upper_ww_bounds: Optional[Iterable[float]] = None,
         upper_bound_ratio: Optional[float] = None,
@@ -159,7 +160,7 @@ class WeightWindows(IDManagerMixin):
     def __repr__(self) -> str:
         string = type(self).__name__ + '\n'
         string += '{: <16}=\t{}\n'.format('\tID', self._id)
-        string += '{: <16}=\t{}\n'.format('\tMesh:', self.mesh)
+        string += '{: <16}=\t{}\n'.format('\tMesh', self.mesh)
         string += '{: <16}=\t{}\n'.format('\tParticle Type', self._particle_type)
         string += '{: <16}=\t{}\n'.format('\tEnergy Bounds', self._energy_bounds)
         string += '{: <16}=\t{}\n'.format('\tLower WW Bounds', self._lower_ww_bounds)
@@ -286,7 +287,7 @@ class WeightWindows(IDManagerMixin):
     @max_lower_bound_ratio.setter
     def max_lower_bound_ratio(self, val: float):
         cv.check_type('Maximum lower bound ratio', val, Real)
-        cv.check_greater_than('Maximum lower bound ratio', val, 1.0)
+        cv.check_greater_than('Maximum lower bound ratio', val, 1.0, equality=True)
         self._max_lower_bound_ratio = val
 
     @property
@@ -424,10 +425,15 @@ class WeightWindows(IDManagerMixin):
 
         id = int(group.name.split('/')[-1].lstrip('weight_windows'))
         mesh_id = group['mesh'][()]
+        mesh = meshes[mesh_id]
+
         ptype = group['particle_type'][()].decode()
         e_bounds = group['energy_bounds'][()]
-        lower_ww_bounds = group['lower_ww_bounds'][()]
-        upper_ww_bounds = group['upper_ww_bounds'][()]
+        # weight window bounds are stored with the shape (e, k, j, i)
+        # in C++ and HDF5 -- the opposite of how they are stored here
+        shape = (e_bounds.size - 1,  *mesh.dimension[::-1])
+        lower_ww_bounds = group['lower_ww_bounds'][()].reshape(shape).T
+        upper_ww_bounds = group['upper_ww_bounds'][()].reshape(shape).T
         survival_ratio = group['survival_ratio'][()]
 
         max_lower_bound_ratio = None
@@ -438,7 +444,7 @@ class WeightWindows(IDManagerMixin):
         weight_cutoff = group['weight_cutoff'][()]
 
         return cls(
-            mesh=meshes[mesh_id],
+            mesh=mesh,
             lower_ww_bounds=lower_ww_bounds,
             upper_ww_bounds=upper_ww_bounds,
             energy_bounds=e_bounds,
@@ -622,3 +628,281 @@ def wwinp_to_wws(path: PathLike) -> List[WeightWindows]:
         wws.append(ww)
 
     return wws
+
+
+class WeightWindowGenerator:
+    """Class passed to setting to govern weight window generation
+    using the OpenMC executable
+
+    Parameters
+    ----------
+    mesh : :class:`openmc.MeshBase`
+        Mesh used to represent the weight windows spatially
+    energy_bounds : Iterable of Real
+        A list of values for which each successive pair constitutes a range of
+        energies in [eV] for a single bin
+    particle_type : {'neutron', 'photon'}
+        Particle type the weight windows apply to
+
+    Attributes
+    ----------
+    mesh : openmc.MeshBase
+        Mesh used to represent the weight windows spatially
+    energy_bounds : Iterable of Real
+        A list of values for which each successive pair constitutes a range of
+        energies in [eV] for a single bin
+    particle_type : {'neutron', 'photon'}
+        Particle type the weight windows apply to
+    method : {'magic'}
+        The weight window generation methodology applied during an update. Only
+        'magic' is currently supported.
+    max_realizations : int
+        The upper limit for number of tally realizations when generating weight
+        windows.
+    update_interval : int
+        The number of tally realizations between updates. (default: 1)
+    update_parameters : dict
+        A set of parameters related to the update.
+    on_the_fly : bool
+        Whether or not to apply weight windows on the fly. (default: True)
+    """
+
+    _MAGIC_PARAMS = {'value': str, 'threshold': float, 'ratio': float}
+
+    def __init__(self, mesh, energy_bounds=None, particle_type='neutron'):
+        self.mesh = mesh
+        if energy_bounds is not None:
+            self.energy_bounds = energy_bounds
+        self.particle_type = particle_type
+        self.max_realizations = 1
+
+        self._update_parameters = None
+
+        self.method = 'magic'
+        self.particle_type = particle_type
+        self.update_interval = 1
+        self.on_the_fly = True
+
+
+    def __repr__(self):
+        string = type(self).__name__ + '\n'
+        string += f'\t{"Mesh":<20}=\t{self.mesh.id}\n'
+        string += f'\t{"Particle:":<20}=\t{self.particle_type}\n'
+        string += f'\t{"Energy Bounds:":<20}=\t{self.energy_bounds}\n'
+        string += f'\t{"Method":<20}=\t{self.method}\n'
+        string += f'\t{"Max Realizations:":<20}=\t{self.max_realizations}\n'
+        string += f'\t{"Update Interval:":<20}=\t{self.update_interval}\n'
+        string += f'\t{"On The Fly:":<20}=\t{self.on_the_fly}\n'
+        if self.update_parameters is not None:
+            string += f'\t{"Update Parameters:":<20}\n\t\t\t{self.update_parameters}\n'
+        string
+
+        return string
+
+    @property
+    def mesh(self) -> openmc.MeshBase:
+        return self._mesh
+
+    @mesh.setter
+    def mesh(self, m: openmc.MeshBase):
+        cv.check_type('mesh', m, openmc.MeshBase)
+        self._mesh = m
+
+    @property
+    def energy_bounds(self) -> Iterable[Real]:
+        return self._energy_bounds
+
+    @energy_bounds.setter
+    def energy_bounds(self, eb: Iterable[float]):
+        cv.check_type('energy bounds', eb, Iterable, Real)
+        self._energy_bounds = eb
+
+    @property
+    def particle_type(self) -> str:
+        return self._particle_type
+
+    @particle_type.setter
+    def particle_type(self, pt: str):
+        cv.check_value('particle type', pt, ('neutron', 'photon'))
+        self._particle_type = pt
+
+    @property
+    def method(self) -> str:
+        return self._method
+
+    @method.setter
+    def method(self, m: str):
+        cv.check_type('generation method', m, str)
+        cv.check_value('generation method', m, {'magic'})
+        self._method = m
+        if self._update_parameters is not None:
+            try:
+                self._check_update_parameters()
+            except (TypeError, KeyError):
+                warnings.warn(f'Update parameters are invalid for the "{m}" method.')
+
+    @property
+    def max_realizations(self) -> int:
+        return self._max_realizations
+
+    @max_realizations.setter
+    def max_realizations(self, m: int):
+        cv.check_type('max tally realizations', m, Integral)
+        cv.check_greater_than('max tally realizations', m, 0)
+        self._max_realizations = m
+
+    @property
+    def update_interval(self) -> int:
+        return self._update_interval
+
+    @update_interval.setter
+    def update_interval(self, ui: int):
+        cv.check_type('update interval', ui, Integral)
+        cv.check_greater_than('update interval', ui , 0)
+        self._update_interval = ui
+
+    @property
+    def update_parameters(self) -> dict:
+        return self._update_parameters
+
+    def _check_update_parameters(self, params: dict):
+        if self.method == 'magic':
+            check_params = self._MAGIC_PARAMS
+
+        for key, val in params.items():
+            if key not in check_params:
+                raise ValueError(f'Invalid param "{key}" for {self.method} '
+                                  'weight window generation')
+            cv.check_type(f'weight window generation param: "{key}"', val, self._MAGIC_PARAMS[key])
+
+    @update_parameters.setter
+    def update_parameters(self, params: dict):
+        self._check_update_parameters(params)
+        self._update_parameters = params
+
+    @property
+    def on_the_fly(self) -> bool:
+        return self._on_the_fly
+
+    @on_the_fly.setter
+    def on_the_fly(self, otf: bool):
+        cv.check_type('on the fly generation', otf, bool)
+        self._on_the_fly = otf
+
+    def _update_parameters_subelement(self, element: ET.Element):
+        if not self.update_parameters:
+            return
+        params_element = ET.SubElement(element, 'update_parameters')
+        for pname, value in self.update_parameters.items():
+            param_element = ET.SubElement(params_element, pname)
+            param_element.text = str(value)
+
+    @classmethod
+    def _sanitize_update_parameters(cls, method: str, update_parameters: dict):
+        """
+        Attempt to convert update parameters to their appropriate types
+
+        Parameters
+        ----------
+        method : str
+            The update method for which these update parameters should comply
+        update_parameters : dict
+            The update parameters as-read from the XML node (keys: str, values: str)
+        """
+        if method == 'magic':
+            check_params = cls._MAGIC_PARAMS
+
+        for param, param_type in check_params.items():
+            if param in update_parameters:
+                update_parameters[param] = param_type(update_parameters[param])
+
+    def to_xml_element(self):
+        """Creates a 'weight_window_generator' element to be written to an XML file.
+        """
+        element = ET.Element('weight_windows_generator')
+
+        mesh_elem = ET.SubElement(element, 'mesh')
+        mesh_elem.text = str(self.mesh.id)
+        if self.energy_bounds is not None:
+            subelement = ET.SubElement(element, 'energy_bounds')
+            subelement.text = ' '.join(str(e) for e in self.energy_bounds)
+        particle_elem = ET.SubElement(element, 'particle_type')
+        particle_elem.text = self.particle_type
+        realizations_elem = ET.SubElement(element, 'max_realizations')
+        realizations_elem.text = str(self.max_realizations)
+        update_interval_elem = ET.SubElement(element, 'update_interval')
+        update_interval_elem.text = str(self.update_interval)
+        otf_elem = ET.SubElement(element, 'on_the_fly')
+        otf_elem.text = str(self.on_the_fly).lower()
+        method_elem = ET.SubElement(element, 'method')
+        method_elem.text = self.method
+        if self.update_parameters is not None:
+            self._update_parameters_subelement(element)
+
+        clean_indentation(element)
+
+        return element
+
+    @classmethod
+    def from_xml_element(cls, elem: ET.Element, meshes: dict) -> WeightWindowGenerator:
+        """
+        Create a weight window generation object from an XML element
+
+        Parameters
+        ----------
+        elem : xml.etree.ElementTree.Element
+            XML element
+        meshes : dict
+            A dictionary with IDs as keys and openmc.MeshBase instances as values
+
+        Returns
+        -------
+        openmc.WeightWindowGenerator
+        """
+
+        mesh_id = int(get_text(elem, 'mesh'))
+        mesh = meshes[mesh_id]
+
+        energy_bounds = [float(x) for x in get_text(elem, 'energy_bounds').split()]
+        particle_type = get_text(elem, 'particle_type')
+
+        wwg = cls(mesh, energy_bounds, particle_type)
+
+        wwg.max_realizations = int(get_text(elem, 'max_realizations'))
+        wwg.update_interval = int(get_text(elem, 'update_interval'))
+        wwg.on_the_fly = bool(get_text(elem, 'on_the_fly'))
+        wwg.method = get_text(elem, 'method')
+
+        if elem.find('update_parameters'):
+            update_parameters = {}
+            params_elem = elem.find('update_parameters')
+            for entry in params_elem:
+                update_parameters[entry.tag] = entry.text
+
+            cls._sanitize_update_parameters(wwg.method, update_parameters)
+            wwg.update_parameters = update_parameters
+
+        return wwg
+
+def hdf5_to_wws(path='weight_windows.h5'):
+    """Create WeightWindows instances from a weight windows HDF5 file
+
+    .. versionadded:: 0.13.4
+
+    Parameters
+    ----------
+    path : cv.PathLike
+        Path to the weight windows hdf5 file
+
+    Returns
+    -------
+    list of openmc.WeightWindows
+    """
+
+    with h5py.File(path) as h5_file:
+        # read in all of the meshes in the mesh node
+        meshes = {}
+        for mesh_group in h5_file['meshes']:
+            mesh = MeshBase.from_hdf5(h5_file['meshes'][mesh_group])
+            meshes[mesh.id] = mesh
+        return [WeightWindows.from_hdf5(ww, meshes) for ww in h5_file['weight_windows'].values()]
\ No newline at end of file
diff --git a/src/mesh.cpp b/src/mesh.cpp
index e72a5cf7d..12052bed6 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -132,6 +132,15 @@ void Mesh::set_id(int32_t id)
   model::mesh_map[id] = model::meshes.size() - 1;
 }
 
+vector<double> Mesh::volumes() const
+{
+  vector<double> volumes(n_bins());
+  for (int i = 0; i < n_bins(); i++) {
+    volumes[i] = this->volume(i);
+  }
+  return volumes;
+}
+
 //==============================================================================
 // Structured Mesh implementation
 //==============================================================================
@@ -377,11 +386,6 @@ Position StructuredMesh::sample(uint64_t* seed, int32_t bin) const
   fatal_error("Position sampling on structured meshes is not yet implemented");
 }
 
-double StructuredMesh::volume(int bin) const
-{
-  fatal_error("Unable to get volume of structured mesh, not yet implemented");
-}
-
 int StructuredMesh::get_bin(Position r) const
 {
   // Determine indices
@@ -722,6 +726,11 @@ RegularMesh::RegularMesh(pugi::xml_node node) : StructuredMesh {node}
 
   // Set volume fraction
   volume_frac_ = 1.0 / xt::prod(shape)();
+
+  element_volume_ = 1.0;
+  for (int i = 0; i < n_dimension_; i++) {
+    element_volume_ *= width_[i];
+  }
 }
 
 int RegularMesh::get_index_in_direction(double r, int i) const
@@ -875,6 +884,11 @@ xt::xtensor<double, 1> RegularMesh::count_sites(
   return counts;
 }
 
+double RegularMesh::volume(const MeshIndex& ijk) const
+{
+  return element_volume_;
+}
+
 //==============================================================================
 // RectilinearMesh implementation
 //==============================================================================
@@ -1004,6 +1018,16 @@ void RectilinearMesh::to_hdf5(hid_t group) const
   close_group(mesh_group);
 }
 
+double RectilinearMesh::volume(const MeshIndex& ijk) const
+{
+  double vol {1.0};
+
+  for (int i = 0; i < n_dimension_; i++) {
+    vol *= grid_[i][ijk[i] + 1] - grid_[i][ijk[i]];
+  }
+  return vol;
+}
+
 //==============================================================================
 // CylindricalMesh implementation
 //==============================================================================
@@ -1012,7 +1036,6 @@ CylindricalMesh::CylindricalMesh(pugi::xml_node node)
   : PeriodicStructuredMesh {node}
 {
   n_dimension_ = 3;
-
   grid_[0] = get_node_array<double>(node, "r_grid");
   grid_[1] = get_node_array<double>(node, "phi_grid");
   grid_[2] = get_node_array<double>(node, "z_grid");
@@ -1249,6 +1272,20 @@ void CylindricalMesh::to_hdf5(hid_t group) const
   close_group(mesh_group);
 }
 
+double CylindricalMesh::volume(const MeshIndex& ijk) const
+{
+  double r_i = grid_[0][ijk[0] - 1];
+  double r_o = grid_[0][ijk[0]];
+
+  double phi_i = grid_[1][ijk[1] - 1];
+  double phi_o = grid_[1][ijk[1]];
+
+  double z_i = grid_[2][ijk[2] - 1];
+  double z_o = grid_[2][ijk[2]];
+
+  return 0.5 * (r_o * r_o - r_i * r_i) * (phi_o - phi_i) * (z_o - z_i);
+}
+
 //==============================================================================
 // SphericalMesh implementation
 //==============================================================================
@@ -1523,6 +1560,21 @@ void SphericalMesh::to_hdf5(hid_t group) const
   close_group(mesh_group);
 }
 
+double SphericalMesh::volume(const MeshIndex& ijk) const
+{
+  double r_i = grid_[0][ijk[0] - 1];
+  double r_o = grid_[0][ijk[0]];
+
+  double theta_i = grid_[1][ijk[1] - 1];
+  double theta_o = grid_[1][ijk[1]];
+
+  double phi_i = grid_[2][ijk[2] - 1];
+  double phi_o = grid_[2][ijk[2]];
+
+  return (1.0 / 3.0) * (r_o * r_o * r_o - r_i * r_i * r_i) *
+         (std::cos(theta_i) - std::cos(theta_o)) * (phi_o - phi_i);
+}
+
 //==============================================================================
 // Helper functions for the C API
 //==============================================================================
diff --git a/src/settings.cpp b/src/settings.cpp
index 6d1444122..e16afbedc 100644
--- a/src/settings.cpp
+++ b/src/settings.cpp
@@ -83,6 +83,7 @@ std::string path_particle_restart;
 std::string path_sourcepoint;
 std::string path_statepoint;
 const char* path_statepoint_c {path_statepoint.c_str()};
+std::string weight_windows_file;
 
 int32_t n_inactive {0};
 int32_t max_lost_particles {10};
@@ -904,11 +905,19 @@ void read_settings_xml(pugi::xml_node root)
   for (pugi::xml_node node_ww : root.children("weight_windows")) {
     variance_reduction::weight_windows.emplace_back(
       std::make_unique<WeightWindows>(node_ww));
-
-    // Enable weight windows by default if one or more are present
-    settings::weight_windows_on = true;
   }
 
+  // Enable weight windows by default if one or more are present
+  if (variance_reduction::weight_windows.size() > 0)
+    settings::weight_windows_on = true;
+
+  // read weight windows from file
+  if (check_for_node(root, "weight_windows_file")) {
+    weight_windows_file = get_node_value(root, "weight_windows_file");
+  }
+
+  // read settings for weight windows value, this will override
+  // the automatic setting even if weight windows are present
   if (check_for_node(root, "weight_windows_on")) {
     weight_windows_on = get_node_value_bool(root, "weight_windows_on");
   }
@@ -920,6 +929,24 @@ void read_settings_xml(pugi::xml_node root)
   if (check_for_node(root, "max_tracks")) {
     settings::max_tracks = std::stoi(get_node_value(root, "max_tracks"));
   }
+
+  // Create weight window generator objects
+  if (check_for_node(root, "weight_window_generators")) {
+    auto wwgs_node = root.child("weight_window_generators");
+    for (pugi::xml_node node_wwg :
+      wwgs_node.children("weight_windows_generator")) {
+      variance_reduction::weight_windows_generators.emplace_back(
+        std::make_unique<WeightWindowsGenerator>(node_wwg));
+    }
+    // if any of the weight windows are intended to be generated otf, make sure
+    // they're applied
+    for (const auto& wwg : variance_reduction::weight_windows_generators) {
+      if (wwg->on_the_fly_) {
+        settings::weight_windows_on = true;
+        break;
+      }
+    }
+  }
 }
 
 void free_memory_settings()
diff --git a/src/simulation.cpp b/src/simulation.cpp
index d46787c28..310629936 100644
--- a/src/simulation.cpp
+++ b/src/simulation.cpp
@@ -24,6 +24,7 @@
 #include "openmc/tallies/trigger.h"
 #include "openmc/timer.h"
 #include "openmc/track_output.h"
+#include "openmc/weight_windows.h"
 
 #ifdef _OPENMP
 #include <omp.h>
@@ -137,6 +138,11 @@ int openmc_simulation_init()
     }
   }
 
+  // load weight windows from file
+  if (!settings::weight_windows_file.empty()) {
+    openmc_weight_windows_import(settings::weight_windows_file.c_str());
+  }
+
   // Set flag indicating initialization is done
   simulation::initialized = true;
   return 0;
@@ -175,6 +181,12 @@ int openmc_simulation_finalize()
   if (settings::output_tallies && mpi::master)
     write_tallies();
 
+  // If weight window generators are present in this simulation,
+  // write a weight windows file
+  if (variance_reduction::weight_windows_generators.size() > 0) {
+    openmc_weight_windows_export();
+  }
+
   // Deactivate all tallies
   for (auto& t : model::tallies) {
     t->active_ = false;
@@ -356,6 +368,11 @@ void finalize_batch()
   accumulate_tallies();
   simulation::time_tallies.stop();
 
+  // update weight windows if needed
+  for (const auto& wwg : variance_reduction::weight_windows_generators) {
+    wwg->update();
+  }
+
   // Reset global tally results
   if (simulation::current_batch <= settings::n_inactive) {
     xt::view(simulation::global_tallies, xt::all()) = 0.0;
diff --git a/src/tallies/filter.cpp b/src/tallies/filter.cpp
index 5e8204b2a..d8efd590f 100644
--- a/src/tallies/filter.cpp
+++ b/src/tallies/filter.cpp
@@ -221,6 +221,15 @@ extern "C" int openmc_filter_get_type(int32_t index, char* type)
   return 0;
 }
 
+extern "C" int openmc_filter_get_num_bins(int32_t index, int* n_bins)
+{
+  if (int err = verify_filter(index))
+    return err;
+
+  *n_bins = model::tally_filters[index]->n_bins();
+  return 0;
+}
+
 extern "C" int openmc_get_filter_index(int32_t id, int32_t* index)
 {
   auto it = model::filter_map.find(id);
diff --git a/src/tallies/filter_particle.cpp b/src/tallies/filter_particle.cpp
index 3865824f6..56d93a47f 100644
--- a/src/tallies/filter_particle.cpp
+++ b/src/tallies/filter_particle.cpp
@@ -58,4 +58,23 @@ std::string ParticleFilter::text_label(int bin) const
   return fmt::format("Particle: {}", particle_type_to_str(p));
 }
 
+extern "C" int openmc_particle_filter_get_bins(int32_t idx, int bins[])
+{
+  if (int err = verify_filter(idx))
+    return err;
+
+  const auto& f = model::tally_filters[idx];
+  auto pf = dynamic_cast<ParticleFilter*>(f.get());
+  if (pf) {
+    const auto& particles = pf->particles();
+    for (int i = 0; i < particles.size(); i++) {
+      bins[i] = static_cast<int>(particles[i]);
+    }
+  } else {
+    set_errmsg("The filter at the specified index is not a ParticleFilter");
+    return OPENMC_E_INVALID_ARGUMENT;
+  }
+  return 0;
+}
+
 } // namespace openmc
diff --git a/src/tallies/tally.cpp b/src/tallies/tally.cpp
index 85d999fd4..9a7e52b95 100644
--- a/src/tallies/tally.cpp
+++ b/src/tallies/tally.cpp
@@ -358,6 +358,34 @@ void Tally::set_id(int32_t id)
   model::tally_map[id] = index_;
 }
 
+std::vector<FilterType> Tally::filter_types() const
+{
+  std::vector<FilterType> filter_types;
+  for (auto idx : this->filters())
+    filter_types.push_back(model::tally_filters[idx]->type());
+  return filter_types;
+}
+
+std::unordered_map<FilterType, int32_t> Tally::filter_indices() const
+{
+  std::unordered_map<FilterType, int32_t> filter_indices;
+  for (int i = 0; i < this->filters().size(); i++) {
+    const auto& f = model::tally_filters[this->filters(i)];
+
+    filter_indices[f->type()] = i;
+  }
+  return filter_indices;
+}
+
+bool Tally::has_filter(FilterType filter_type) const
+{
+  for (auto idx : this->filters()) {
+    if (model::tally_filters[idx]->type() == filter_type)
+      return true;
+  }
+  return false;
+}
+
 void Tally::set_filters(gsl::span<Filter*> filters)
 {
   // Clear old data.
@@ -692,6 +720,31 @@ void Tally::accumulate()
   }
 }
 
+int Tally::score_index(const std::string& score) const
+{
+  for (int i = 0; i < scores_.size(); i++) {
+    if (this->score_name(i) == score)
+      return i;
+  }
+  return -1;
+}
+
+xt::xarray<double> Tally::get_reshaped_data() const
+{
+  std::vector<uint64_t> shape;
+  for (auto f : filters()) {
+    shape.push_back(model::tally_filters[f]->n_bins());
+  }
+
+  // add number of scores and nuclides to tally
+  shape.push_back(results_.shape()[1]);
+  shape.push_back(results_.shape()[2]);
+
+  xt::xarray<double> reshaped_results = results_;
+  reshaped_results.reshape(shape);
+  return reshaped_results;
+}
+
 std::string Tally::score_name(int score_idx) const
 {
   if (score_idx < 0 || score_idx >= scores_.size()) {
@@ -700,6 +753,14 @@ std::string Tally::score_name(int score_idx) const
   return reaction_name(scores_[score_idx]);
 }
 
+std::vector<std::string> Tally::scores() const
+{
+  std::vector<std::string> score_names;
+  for (int score : scores_)
+    score_names.push_back(reaction_name(score));
+  return score_names;
+}
+
 std::string Tally::nuclide_name(int nuclide_idx) const
 {
   if (nuclide_idx < 0 || nuclide_idx >= nuclides_.size()) {
diff --git a/src/weight_windows.cpp b/src/weight_windows.cpp
index e8e8f4b05..104c38815 100644
--- a/src/weight_windows.cpp
+++ b/src/weight_windows.cpp
@@ -1,12 +1,33 @@
 #include "openmc/weight_windows.h"
 
+#include <algorithm>
+#include <cmath>
+#include <set>
+#include <string>
+
+#include "xtensor/xindex_view.hpp"
+#include "xtensor/xio.hpp"
+#include "xtensor/xmasked_view.hpp"
+#include "xtensor/xnoalias.hpp"
+#include "xtensor/xstrided_view.hpp"
+#include "xtensor/xview.hpp"
+
 #include "openmc/error.h"
 #include "openmc/file_utils.h"
 #include "openmc/hdf5_interface.h"
+#include "openmc/mesh.h"
+#include "openmc/message_passing.h"
+#include "openmc/nuclide.h"
+#include "openmc/output.h"
 #include "openmc/particle.h"
 #include "openmc/particle_data.h"
 #include "openmc/physics_common.h"
 #include "openmc/search.h"
+#include "openmc/settings.h"
+#include "openmc/tallies/filter_energy.h"
+#include "openmc/tallies/filter_mesh.h"
+#include "openmc/tallies/filter_particle.h"
+#include "openmc/tallies/tally.h"
 #include "openmc/xml_interface.h"
 
 #include <fmt/core.h>
@@ -22,6 +43,7 @@ namespace variance_reduction {
 
 std::unordered_map<int32_t, int32_t> ww_map;
 openmc::vector<unique_ptr<WeightWindows>> weight_windows;
+openmc::vector<unique_ptr<WeightWindowsGenerator>> weight_windows_generators;
 
 } // namespace variance_reduction
 
@@ -108,6 +130,13 @@ void free_memory_weight_windows()
 // WeightWindowSettings implementation
 //==============================================================================
 
+WeightWindows::WeightWindows(int32_t id)
+{
+  index_ = variance_reduction::weight_windows.size();
+  set_id(id);
+  set_defaults();
+}
+
 WeightWindows::WeightWindows(pugi::xml_node node)
 {
   // Make sure required elements are present
@@ -132,11 +161,8 @@ WeightWindows::WeightWindows(pugi::xml_node node)
   mesh_idx_ = model::mesh_map.at(mesh_id);
 
   // energy bounds
-  energy_bounds_ = get_node_array<double>(node, "energy_bounds");
-
-  // read the lower/upper weight bounds
-  lower_ww_ = get_node_array<double>(node, "lower_ww_bounds");
-  upper_ww_ = get_node_array<double>(node, "upper_ww_bounds");
+  if (check_for_node(node, "energy_bounds"))
+    energy_bounds_ = get_node_array<double>(node, "energy_bounds");
 
   // get the survival value - optional
   if (check_for_node(node, "survival_ratio")) {
@@ -170,22 +196,81 @@ WeightWindows::WeightWindows(pugi::xml_node node)
       fatal_error("weight_cutoff must be less than 1");
   }
 
-  // make sure that the upper and lower bounds have the same size
-  if (upper_ww_.size() != lower_ww_.size()) {
-    fatal_error("The upper and lower weight window lengths do not match.");
+  // read the lower/upper weight bounds
+  this->set_bounds(get_node_array<double>(node, "lower_ww_bounds"),
+    get_node_array<double>(node, "upper_ww_bounds"));
+
+  set_defaults();
+}
+
+WeightWindows::~WeightWindows()
+{
+  variance_reduction::ww_map.erase(id());
+}
+
+WeightWindows* WeightWindows::create(int32_t id)
+{
+  variance_reduction::weight_windows.push_back(make_unique<WeightWindows>());
+  auto wws = variance_reduction::weight_windows.back().get();
+  variance_reduction::ww_map[wws->id()] =
+    variance_reduction::weight_windows.size() - 1;
+  return wws;
+}
+
+WeightWindows* WeightWindows::from_hdf5(
+  hid_t wws_group, const std::string& group_name)
+{
+  // collect ID from the name of this group
+  hid_t ww_group = open_group(wws_group, group_name);
+
+  auto wws = WeightWindows::create();
+
+  std::string particle_type;
+  read_dataset(ww_group, "particle_type", particle_type);
+  wws->particle_type_ = openmc::str_to_particle_type(particle_type);
+
+  read_dataset<double>(ww_group, "energy_bounds", wws->energy_bounds_);
+
+  int32_t mesh_id;
+  read_dataset(ww_group, "mesh", mesh_id);
+
+  if (model::mesh_map.count(mesh_id) == 0) {
+    fatal_error(
+      fmt::format("Mesh {} used in weight windows does not exist.", mesh_id));
+  }
+  wws->set_mesh(model::mesh_map[mesh_id]);
+
+  wws->lower_ww_ = xt::empty<double>(wws->bounds_size());
+  wws->upper_ww_ = xt::empty<double>(wws->bounds_size());
+
+  read_dataset<double>(ww_group, "lower_ww_bounds", wws->lower_ww_);
+  read_dataset<double>(ww_group, "upper_ww_bounds", wws->upper_ww_);
+  read_dataset(ww_group, "survival_ratio", wws->survival_ratio_);
+  read_dataset(ww_group, "max_lower_bound_ratio", wws->max_lb_ratio_);
+  read_dataset(ww_group, "max_split", wws->max_split_);
+  read_dataset(ww_group, "weight_cutoff", wws->weight_cutoff_);
+
+  close_group(ww_group);
+
+  return wws;
+}
+
+void WeightWindows::set_defaults()
+{
+  // ensure default values are set
+  if (energy_bounds_.size() == 0) {
+    int p_type = static_cast<int>(particle_type_);
+    energy_bounds_.push_back(data::energy_min[p_type]);
+    energy_bounds_.push_back(data::energy_max[p_type]);
   }
 
-  // num spatial*energy bins must match num weight bins
-  int num_spatial_bins = this->mesh().n_bins();
-  int num_energy_bins = energy_bounds_.size() - 1;
-  int num_weight_bins = lower_ww_.size();
-  if (num_weight_bins != num_spatial_bins * num_energy_bins) {
-    auto err_msg =
-      fmt::format("In weight window domain {} the number of "
-                  "energy/spatial bins ({}) does not match the number "
-                  "of weight bins provided ({})",
-        id_, num_energy_bins * num_spatial_bins, num_weight_bins);
-    fatal_error(err_msg);
+  // some constructors won't allocate space for the bounds
+  // do that here so the object is valid
+  if (lower_ww_.size() == 0 || upper_ww_.size() == 0) {
+    lower_ww_ = xt::empty<double>(bounds_size());
+    lower_ww_.fill(-1);
+    upper_ww_ = xt::empty<double>(bounds_size());
+    upper_ww_.fill(-1);
   }
 }
 
@@ -216,8 +301,40 @@ void WeightWindows::set_id(int32_t id)
 
   // Update ID and entry in the mesh map
   id_ = id;
-  variance_reduction::ww_map[id] =
-    variance_reduction::weight_windows.size() - 1;
+  variance_reduction::ww_map[id] = index_;
+}
+
+void WeightWindows::set_energy_bounds(gsl::span<const double> bounds)
+{
+  energy_bounds_.clear();
+  energy_bounds_.insert(energy_bounds_.begin(), bounds.begin(), bounds.end());
+}
+
+void WeightWindows::set_particle_type(ParticleType p_type)
+{
+  if (p_type != ParticleType::neutron && p_type != ParticleType::photon)
+    fatal_error(
+      fmt::format("Particle type '{}' cannot be applied to weight windows.",
+        particle_type_to_str(p_type)));
+  particle_type_ = p_type;
+}
+
+void WeightWindows::set_mesh(int32_t mesh_idx)
+{
+  if (mesh_idx < 0 || mesh_idx >= model::meshes.size())
+    fatal_error(fmt::format("Could not find a mesh for index {}", mesh_idx));
+
+  mesh_idx_ = mesh_idx;
+}
+
+void WeightWindows::set_mesh(const std::unique_ptr<Mesh>& mesh)
+{
+  set_mesh(mesh.get());
+}
+
+void WeightWindows::set_mesh(const Mesh* mesh)
+{
+  set_mesh(model::mesh_map[mesh->id_]);
 }
 
 WeightWindow WeightWindows::get_weight_window(const Particle& p) const
@@ -229,10 +346,10 @@ WeightWindow WeightWindows::get_weight_window(const Particle& p) const
 
   // Get mesh index for particle's position
   const auto& mesh = this->mesh();
-  int ww_index = mesh.get_bin(p.r());
+  int mesh_bin = mesh->get_bin(p.r());
 
   // particle is outside the weight window mesh
-  if (ww_index < 0)
+  if (mesh_bin < 0)
     return {};
 
   // particle energy
@@ -246,13 +363,11 @@ WeightWindow WeightWindows::get_weight_window(const Particle& p) const
   int energy_bin =
     lower_bound_index(energy_bounds_.begin(), energy_bounds_.end(), E);
 
-  // indices now points to the correct weight for the given energy
-  ww_index += energy_bin * mesh.n_bins();
-
+  // mesh_bin += energy_bin * mesh->n_bins();
   // Create individual weight window
   WeightWindow ww;
-  ww.lower_weight = lower_ww_[ww_index];
-  ww.upper_weight = upper_ww_[ww_index];
+  ww.lower_weight = lower_ww_(energy_bin, mesh_bin);
+  ww.upper_weight = upper_ww_(energy_bin, mesh_bin);
   ww.survival_weight = ww.lower_weight * survival_ratio_;
   ww.max_lb_ratio = max_lb_ratio_;
   ww.max_split = max_split_;
@@ -260,22 +375,751 @@ WeightWindow WeightWindows::get_weight_window(const Particle& p) const
   return ww;
 }
 
-void WeightWindows::to_hdf5(hid_t group) const
+std::array<int, 2> WeightWindows::bounds_size() const
 {
-  hid_t ww_group = create_group(group, fmt::format("weight_windows {}", id_));
-
-  write_dataset(
-    ww_group, "particle_type", openmc::particle_type_to_str(particle_type_));
-  write_dataset(ww_group, "energy_bounds", energy_bounds_);
-  write_dataset(ww_group, "lower_ww_bounds", lower_ww_);
-  write_dataset(ww_group, "upper_ww_bounds", upper_ww_);
-  write_dataset(ww_group, "survival_ratio", survival_ratio_);
-  write_dataset(ww_group, "max_lower_bound_ratio", max_lb_ratio_);
-  write_dataset(ww_group, "max_split", max_split_);
-  write_dataset(ww_group, "weight_cutoff", weight_cutoff_);
-  write_dataset(ww_group, "mesh", this->mesh().id_);
-
-  close_group(ww_group);
+  int num_spatial_bins = this->mesh()->n_bins();
+  int num_energy_bins =
+    energy_bounds_.size() > 0 ? energy_bounds_.size() - 1 : 1;
+  return {num_energy_bins, num_spatial_bins};
 }
 
+template<class T>
+void WeightWindows::check_bounds(const T& lower, const T& upper) const
+{
+  // make sure that the upper and lower bounds have the same size
+  if (lower.size() != upper.size()) {
+    auto msg = fmt::format("The upper and lower weight window lengths do not "
+                           "match.\n Lower size: {}\n Upper size: {}",
+      lower.size(), upper.size());
+    fatal_error(msg);
+  }
+  this->check_bounds(lower);
+}
+
+template<class T>
+void WeightWindows::check_bounds(const T& bounds) const
+{
+  // check that the number of weight window entries is correct
+  auto dims = this->bounds_size();
+  if (bounds.size() != dims[0] * dims[1]) {
+    auto err_msg =
+      fmt::format("In weight window domain {} the number of spatial "
+                  "energy/spatial bins ({}) does not match the number "
+                  "of weight bins ({})",
+        id_, dims, bounds.size());
+    fatal_error(err_msg);
+  }
+}
+
+void WeightWindows::set_bounds(const xt::xtensor<double, 2>& lower_bounds,
+  const xt::xtensor<double, 2>& upper_bounds)
+{
+
+  this->check_bounds(lower_bounds, upper_bounds);
+
+  // set new weight window values
+  lower_ww_ = lower_bounds;
+  upper_ww_ = upper_bounds;
+}
+
+void WeightWindows::set_bounds(
+  const xt::xtensor<double, 2>& lower_bounds, double ratio)
+{
+  this->check_bounds(lower_bounds);
+
+  // set new weight window values
+  lower_ww_ = lower_bounds;
+  upper_ww_ = lower_bounds;
+  upper_ww_ *= ratio;
+}
+
+void WeightWindows::set_bounds(
+  gsl::span<const double> lower_bounds, gsl::span<const double> upper_bounds)
+{
+  check_bounds(lower_bounds, upper_bounds);
+  auto shape = this->bounds_size();
+  lower_ww_ = xt::empty<double>(shape);
+  upper_ww_ = xt::empty<double>(shape);
+
+  // set new weight window values
+  xt::view(lower_ww_, xt::all()) =
+    xt::adapt(lower_bounds.data(), lower_ww_.shape());
+  xt::view(upper_ww_, xt::all()) =
+    xt::adapt(upper_bounds.data(), upper_ww_.shape());
+}
+
+void WeightWindows::set_bounds(
+  gsl::span<const double> lower_bounds, double ratio)
+{
+  this->check_bounds(lower_bounds);
+
+  auto shape = this->bounds_size();
+  lower_ww_ = xt::empty<double>(shape);
+  upper_ww_ = xt::empty<double>(shape);
+
+  // set new weight window values
+  xt::view(lower_ww_, xt::all()) =
+    xt::adapt(lower_bounds.data(), lower_ww_.shape());
+  xt::view(upper_ww_, xt::all()) =
+    xt::adapt(lower_bounds.data(), upper_ww_.shape());
+  upper_ww_ *= ratio;
+}
+
+void WeightWindows::update_magic(
+  const Tally* tally, const std::string& value, double threshold, double ratio)
+{
+  ///////////////////////////
+  // Setup and checks
+  ///////////////////////////
+  this->check_tally_update_compatibility(tally);
+
+  lower_ww_.fill(-1);
+  upper_ww_.fill(-1);
+
+  // determine which value to use
+  const std::set<std::string> allowed_values = {"mean", "rel_err"};
+  if (allowed_values.count(value) == 0) {
+    fatal_error(fmt::format("Invalid value '{}' specified for weight window "
+                            "generation. Must be one of: 'mean' or 'rel_err'",
+      value));
+  }
+
+  // determine the index of the specified score
+  int score_index = tally->score_index("flux");
+  if (score_index == C_NONE) {
+    fatal_error(
+      fmt::format("A 'flux' score required for weight window generation "
+                  "is not present on tally {}.",
+        tally->id()));
+  }
+
+  ///////////////////////////
+  // Extract tally data
+  //
+  // At the end of this section, the mean and rel_err array
+  // is a 2D view of tally data (n_e_groups, n_mesh_bins)
+  //
+  ///////////////////////////
+
+  // build a shape for a view of the tally results, this will always be
+  // dimension 5 (3 filter dimensions, 1 score dimension, 1 results dimension)
+  std::array<int, 5> shape = {
+    1, 1, 1, tally->n_scores(), static_cast<int>(TallyResult::SIZE)};
+
+  // set the shape for the filters applied on the tally
+  for (int i = 0; i < tally->filters().size(); i++) {
+    const auto& filter = model::tally_filters[tally->filters(i)];
+    shape[i] = filter->n_bins();
+  }
+
+  // build the transpose information to re-order data according to filter type
+  std::array<int, 5> transpose = {0, 1, 2, 3, 4};
+
+  // track our filter types and where we've added new ones
+  std::vector<FilterType> filter_types = tally->filter_types();
+
+  // assign other filter types to dummy positions if needed
+  if (!tally->has_filter(FilterType::PARTICLE))
+    filter_types.push_back(FilterType::PARTICLE);
+
+  if (!tally->has_filter(FilterType::ENERGY))
+    filter_types.push_back(FilterType::ENERGY);
+
+  // particle axis mapping
+  transpose[0] =
+    std::find(filter_types.begin(), filter_types.end(), FilterType::PARTICLE) -
+    filter_types.begin();
+
+  // energy axis mapping
+  transpose[1] =
+    std::find(filter_types.begin(), filter_types.end(), FilterType::ENERGY) -
+    filter_types.begin();
+
+  // mesh axis mapping
+  transpose[2] =
+    std::find(filter_types.begin(), filter_types.end(), FilterType::MESH) -
+    filter_types.begin();
+
+  // get a fully reshaped view of the tally according to tally ordering of
+  // filters
+  auto tally_values = xt::reshape_view(tally->results(), shape);
+
+  // get a that is (particle, energy, mesh, scores, values)
+  auto transposed_view = xt::transpose(tally_values, transpose);
+
+  // determine the dimension and index of the particle data
+  int particle_idx = 0;
+  if (tally->has_filter(FilterType::PARTICLE)) {
+    // get the particle filter
+    auto pf = tally->get_filter<ParticleFilter>();
+    const auto& particles = pf->particles();
+
+    // find the index of the particle that matches these weight windows
+    auto p_it =
+      std::find(particles.begin(), particles.end(), this->particle_type_);
+    // if the particle filter doesn't have particle data for the particle
+    // used on this weight windows instance, report an error
+    if (p_it == particles.end()) {
+      auto msg = fmt::format("Particle type '{}' not present on Filter {} for "
+                             "Tally {} used to update WeightWindows {}",
+        particle_type_to_str(this->particle_type_), pf->id(), tally->id(),
+        this->id());
+      fatal_error(msg);
+    }
+
+    // use the index of the particle in the filter to down-select data later
+    particle_idx = p_it - particles.begin();
+  }
+
+  // down-select data based on particle and score
+  auto sum = xt::view(transposed_view, particle_idx, xt::all(), xt::all(),
+    score_index, static_cast<int>(TallyResult::SUM));
+  auto sum_sq = xt::view(transposed_view, particle_idx, xt::all(), xt::all(),
+    score_index, static_cast<int>(TallyResult::SUM_SQ));
+  int n = tally->n_realizations_;
+
+  //////////////////////////////////////////////
+  //
+  // Assign new weight windows
+  //
+  // Use references to the existing weight window data
+  // to store and update the values
+  //
+  //////////////////////////////////////////////
+
+  // up to this point the data arrays are views into the tally results (no
+  // computation has been performed) now we'll switch references to the tally's
+  // bounds to avoid allocating additional memory
+  auto& new_bounds = this->lower_ww_;
+  auto& rel_err = this->upper_ww_;
+
+  // noalias avoids memory allocation here
+  xt::noalias(new_bounds) = sum / n;
+
+  xt::noalias(rel_err) =
+    xt::sqrt(((sum_sq / n) - xt::square(new_bounds)) / (n - 1)) / new_bounds;
+  xt::filter(rel_err, sum <= 0.0).fill(INFTY);
+
+  if (value == "rel_err")
+    xt::noalias(new_bounds) = 1 / rel_err;
+
+  // get mesh volumes
+  auto mesh_vols = this->mesh()->volumes();
+
+  int e_bins = new_bounds.shape()[0];
+  for (int e = 0; e < e_bins; e++) {
+    // select all
+    auto group_view = xt::view(new_bounds, e);
+
+    double group_max = *std::max_element(group_view.begin(), group_view.end());
+    // normalize values in this energy group by the maximum value for this
+    // group
+    if (group_max > 0.0)
+      group_view /= group_max;
+
+    // divide by volume of mesh elements
+    for (int i = 0; i < group_view.size(); i++) {
+      group_view[i] /= mesh_vols[i];
+    }
+  }
+
+  // make sure that values where the mean is zero are set s.t. the weight window
+  // value will be ignored
+  xt::filter(new_bounds, sum <= 0.0).fill(-1.0);
+
+  // make sure the weight windows are ignored for any locations where the
+  // relative error is higher than the specified relative error threshold
+  xt::filter(new_bounds, rel_err > threshold).fill(-1.0);
+
+  // update the bounds of this weight window class
+  // noalias avoids additional memory allocation
+  xt::noalias(upper_ww_) = ratio * lower_ww_;
+}
+
+void WeightWindows::check_tally_update_compatibility(const Tally* tally)
+{
+  // define the set of allowed filters for the tally
+  const std::set<FilterType> allowed_filters = {
+    FilterType::MESH, FilterType::ENERGY, FilterType::PARTICLE};
+
+  // retrieve a mapping of filter type to filter index for the tally
+  auto filter_indices = tally->filter_indices();
+
+  // a mesh filter is required for a tally used to update weight windows
+  if (!filter_indices.count(FilterType::MESH)) {
+    fatal_error(
+      "A mesh filter is required for a tally to update weight window bounds");
+  }
+
+  // ensure the mesh filter is using the same mesh as this weight window object
+  auto mesh_filter = tally->get_filter<MeshFilter>();
+
+  // make sure that all of the filters present on the tally are allowed
+  for (auto filter_pair : filter_indices) {
+    if (allowed_filters.find(filter_pair.first) == allowed_filters.end()) {
+      fatal_error(fmt::format("Invalid filter type '{}' found on tally "
+                              "used for weight window generation.",
+        model::tally_filters[filter_pair.second]->type_str()));
+    }
+  }
+
+  if (mesh_filter->mesh() != mesh_idx_) {
+    int32_t mesh_filter_id = model::meshes[mesh_filter->mesh()]->id();
+    int32_t ww_mesh_id = model::meshes[this->mesh_idx_]->id();
+    fatal_error(fmt::format("Mesh filter {} uses a different mesh ({}) than "
+                            "weight window {} mesh ({})",
+      mesh_filter->id(), mesh_filter_id, id_, ww_mesh_id));
+  }
+
+  // if an energy filter exists, make sure the energy grid matches that of this
+  // weight window object
+  if (auto energy_filter = tally->get_filter<EnergyFilter>()) {
+    std::vector<double> filter_bins = energy_filter->bins();
+    std::set<double> filter_e_bounds(
+      energy_filter->bins().begin(), energy_filter->bins().end());
+    if (filter_e_bounds.size() != energy_bounds().size()) {
+      fatal_error(
+        fmt::format("Energy filter {} does not have the same number of energy "
+                    "bounds ({}) as weight window object {} ({})",
+          energy_filter->id(), filter_e_bounds.size(), id_,
+          energy_bounds().size()));
+    }
+
+    for (auto e : energy_bounds()) {
+      if (filter_e_bounds.count(e) == 0) {
+        fatal_error(fmt::format(
+          "Energy bounds of filter {} and weight windows {} do not match",
+          energy_filter->id(), id_));
+      }
+    }
+  }
+}
+
+  void WeightWindows::to_hdf5(hid_t group) const
+  {
+    hid_t ww_group =
+      create_group(group, fmt::format("weight_windows_{}", id()));
+
+    write_dataset(ww_group, "mesh", this->mesh()->id());
+    write_dataset(
+      ww_group, "particle_type", openmc::particle_type_to_str(particle_type_));
+    write_dataset(ww_group, "energy_bounds", energy_bounds_);
+    write_dataset(ww_group, "lower_ww_bounds", lower_ww_);
+    write_dataset(ww_group, "upper_ww_bounds", upper_ww_);
+    write_dataset(ww_group, "survival_ratio", survival_ratio_);
+    write_dataset(ww_group, "max_lower_bound_ratio", max_lb_ratio_);
+    write_dataset(ww_group, "max_split", max_split_);
+    write_dataset(ww_group, "weight_cutoff", weight_cutoff_);
+
+    close_group(ww_group);
+  }
+
+  WeightWindowsGenerator::WeightWindowsGenerator(pugi::xml_node node)
+  {
+    // read information from the XML node
+    int32_t mesh_id = std::stoi(get_node_value(node, "mesh"));
+    int32_t mesh_idx = model::mesh_map[mesh_id];
+    max_realizations_ = std::stoi(get_node_value(node, "max_realizations"));
+
+    int active_batches = settings::n_batches - settings::n_inactive;
+    if (max_realizations_ > active_batches) {
+      auto msg = fmt::format(
+        "The maximum number of specified tally realizations ({}) is "
+        "greater than the number of active batches ({}).",
+        max_realizations_, active_batches);
+      warning(msg);
+    }
+    auto tmp_str = get_node_value(node, "particle_type", true, true);
+    auto particle_type = str_to_particle_type(tmp_str);
+
+    update_interval_ = std::stoi(get_node_value(node, "update_interval"));
+    on_the_fly_ = get_node_value_bool(node, "on_the_fly");
+
+    std::vector<double> e_bounds;
+    if (check_for_node(node, "energy_bounds")) {
+      e_bounds = get_node_array<double>(node, "energy_bounds");
+    } else {
+      int p_type = static_cast<int>(particle_type);
+      e_bounds.push_back(data::energy_min[p_type]);
+      e_bounds.push_back(data::energy_max[p_type]);
+    }
+
+    // create a tally based on the WWG information
+    Tally* ww_tally = Tally::create();
+    tally_idx_ = model::tally_map[ww_tally->id()];
+    ww_tally->set_scores({"flux"});
+
+    // see if there's already a mesh filter using this mesh
+    bool found_mesh_filter = false;
+    for (const auto& f : model::tally_filters) {
+      if (f->type() == FilterType::MESH) {
+        const auto* mesh_filter = dynamic_cast<MeshFilter*>(f.get());
+        if (mesh_filter->mesh() == mesh_idx && !mesh_filter->translated()) {
+          ww_tally->add_filter(f.get());
+          found_mesh_filter = true;
+          break;
+        }
+      }
+    }
+
+    if (!found_mesh_filter) {
+      auto mesh_filter = Filter::create("mesh");
+      openmc_mesh_filter_set_mesh(
+        mesh_filter->index(), model::mesh_map[mesh_id]);
+      ww_tally->add_filter(mesh_filter);
+    }
+
+    if (e_bounds.size() > 0) {
+      auto energy_filter = Filter::create("energy");
+      openmc_energy_filter_set_bins(
+        energy_filter->index(), e_bounds.size(), e_bounds.data());
+      ww_tally->add_filter(energy_filter);
+    }
+
+    // add a particle filter
+    auto particle_filter = Filter::create("particle");
+    auto pf = dynamic_cast<ParticleFilter*>(particle_filter);
+    pf->set_particles({&particle_type, 1});
+    ww_tally->add_filter(particle_filter);
+
+    // set method and parameters for updates
+    method_ = get_node_value(node, "method");
+    if (method_ == "magic") {
+      // parse non-default update parameters if specified
+      if (check_for_node(node, "update_parameters")) {
+        pugi::xml_node params_node = node.child("update_parameters");
+        if (check_for_node(params_node, "value"))
+          tally_value_ = get_node_value(params_node, "value");
+        if (check_for_node(params_node, "threshold"))
+          threshold_ = std::stod(get_node_value(params_node, "threshold"));
+        if (check_for_node(params_node, "ratio")) {
+          ratio_ = std::stod(get_node_value(params_node, "ratio"));
+        }
+      }
+      // check update parameter values
+      if (tally_value_ != "mean" && tally_value_ != "rel_err") {
+        fatal_error(fmt::format("Unsupported tally value '{}' specified for "
+                                "weight window generation.",
+          tally_value_));
+      }
+      if (threshold_ <= 0.0)
+        fatal_error(
+          fmt::format("Invalid relative error threshold '{}' (<= 0.0) "
+                      "specified for weight window generation",
+            ratio_));
+      if (ratio_ <= 1.0)
+        fatal_error(fmt::format("Invalid weight window ratio '{}' (<= 1.0) "
+                                "specified for weight window generation"));
+    } else {
+      fatal_error(fmt::format(
+        "Unknown weight window update method '{}' specified", method_));
+    }
+
+    // create a matching weight windows object
+    auto wws = WeightWindows::create();
+    ww_idx_ = wws->index();
+    if (e_bounds.size() > 0)
+      wws->set_energy_bounds(e_bounds);
+    wws->set_mesh(model::mesh_map[mesh_id]);
+    wws->set_particle_type(particle_type);
+    wws->set_defaults();
+  }
+
+  void WeightWindowsGenerator::update() const
+  {
+    const auto& wws = variance_reduction::weight_windows[ww_idx_];
+
+    Tally* tally = model::tallies[tally_idx_].get();
+
+    // if we're beyond the number of max realizations or not at the corrrect
+    // update interval, skip the update
+    if (max_realizations_ < tally->n_realizations_ ||
+        tally->n_realizations_ % update_interval_ != 0)
+      return;
+
+    wws->update_magic(tally, tally_value_, threshold_, ratio_);
+
+    // if we're not doing on the fly generation, reset the tally results once
+    // we're done with the update
+    if (!on_the_fly_)
+      tally->reset();
+
+    // TODO: deactivate or remove tally once weight window generation is
+    // complete
+  }
+
+  //==============================================================================
+  // C API
+  //==============================================================================
+
+  int verify_ww_index(int32_t index)
+  {
+    if (index < 0 || index >= variance_reduction::weight_windows.size()) {
+      set_errmsg(
+        fmt::format("Index '{}' for weight windows is invalid", index));
+      return OPENMC_E_OUT_OF_BOUNDS;
+    }
+    return 0;
+  }
+
+  extern "C" int openmc_get_weight_windows_index(int32_t id, int32_t * idx)
+  {
+    auto it = variance_reduction::ww_map.find(id);
+    if (it == variance_reduction::ww_map.end()) {
+      set_errmsg(fmt::format("No weight windows exist with ID={}", id));
+      return OPENMC_E_INVALID_ID;
+    }
+
+    *idx = it->second;
+    return 0;
+  }
+
+  extern "C" int openmc_weight_windows_get_id(int32_t index, int32_t * id)
+  {
+    if (int err = verify_ww_index(index))
+      return err;
+
+    const auto& wws = variance_reduction::weight_windows.at(index);
+    *id = wws->id();
+    return 0;
+  }
+
+  extern "C" int openmc_weight_windows_set_id(int32_t index, int32_t id)
+  {
+    if (int err = verify_ww_index(index))
+      return err;
+
+    const auto& wws = variance_reduction::weight_windows.at(index);
+    wws->set_id(id);
+    return 0;
+  }
+
+  extern "C" int openmc_weight_windows_update_magic(int32_t ww_idx,
+    int32_t tally_idx, const char* value, double threshold, double ratio)
+  {
+    if (int err = verify_ww_index(ww_idx))
+      return err;
+
+    if (tally_idx < 0 || tally_idx >= model::tallies.size()) {
+      set_errmsg(fmt::format("Index '{}' for tally is invalid", tally_idx));
+      return OPENMC_E_OUT_OF_BOUNDS;
+    }
+
+    // get the requested tally
+    const Tally* tally = model::tallies.at(tally_idx).get();
+
+    // get the WeightWindows object
+    const auto& wws = variance_reduction::weight_windows.at(ww_idx);
+
+    wws->update_magic(tally, value, threshold, ratio);
+
+    return 0;
+  }
+
+  extern "C" int openmc_weight_windows_set_mesh(
+    int32_t ww_idx, int32_t mesh_idx)
+  {
+    if (int err = verify_ww_index(ww_idx))
+      return err;
+    const auto& wws = variance_reduction::weight_windows.at(ww_idx);
+    wws->set_mesh(mesh_idx);
+    return 0;
+  }
+
+  extern "C" int openmc_weight_windows_get_mesh(
+    int32_t ww_idx, int32_t * mesh_idx)
+  {
+    if (int err = verify_ww_index(ww_idx))
+      return err;
+    const auto& wws = variance_reduction::weight_windows.at(ww_idx);
+    *mesh_idx = model::mesh_map.at(wws->mesh()->id());
+    return 0;
+  }
+
+  extern "C" int openmc_weight_windows_set_energy_bounds(
+    int32_t ww_idx, double* e_bounds, size_t e_bounds_size)
+  {
+    if (int err = verify_ww_index(ww_idx))
+      return err;
+    const auto& wws = variance_reduction::weight_windows.at(ww_idx);
+    wws->set_energy_bounds({e_bounds, e_bounds_size});
+    return 0;
+  }
+
+  extern "C" int openmc_weight_windows_get_energy_bounds(
+    int32_t ww_idx, const double** e_bounds, size_t* e_bounds_size)
+  {
+    if (int err = verify_ww_index(ww_idx))
+      return err;
+    const auto& wws = variance_reduction::weight_windows[ww_idx].get();
+    *e_bounds = wws->energy_bounds().data();
+    *e_bounds_size = wws->energy_bounds().size();
+    return 0;
+  }
+
+  extern "C" int openmc_weight_windows_set_particle(int32_t index, int particle)
+  {
+    if (int err = verify_ww_index(index))
+      return err;
+
+    const auto& wws = variance_reduction::weight_windows.at(index);
+    wws->set_particle_type(static_cast<ParticleType>(particle));
+    return 0;
+  }
+
+  extern "C" int openmc_weight_windows_get_particle(
+    int32_t index, int* particle)
+  {
+    if (int err = verify_ww_index(index))
+      return err;
+
+    const auto& wws = variance_reduction::weight_windows.at(index);
+    *particle = static_cast<int>(wws->particle_type());
+    return 0;
+  }
+
+  extern "C" int openmc_weight_windows_get_bounds(int32_t index,
+    const double** lower_bounds, const double** upper_bounds, size_t* size)
+  {
+    if (int err = verify_ww_index(index))
+      return err;
+
+    const auto& wws = variance_reduction::weight_windows[index];
+    *size = wws->lower_ww_bounds().size();
+    *lower_bounds = wws->lower_ww_bounds().data();
+    *upper_bounds = wws->upper_ww_bounds().data();
+    return 0;
+  }
+
+  extern "C" int openmc_weight_windows_set_bounds(int32_t index,
+    const double* lower_bounds, const double* upper_bounds, size_t size)
+  {
+    if (int err = verify_ww_index(index))
+      return err;
+
+    const auto& wws = variance_reduction::weight_windows[index];
+    wws->set_bounds({lower_bounds, size}, {upper_bounds, size});
+    return 0;
+  }
+
+  extern "C" int openmc_extend_weight_windows(
+    int32_t n, int32_t * index_start, int32_t * index_end)
+  {
+    if (index_start)
+      *index_start = variance_reduction::weight_windows.size();
+    if (index_end)
+      *index_end = variance_reduction::weight_windows.size() + n - 1;
+    for (int i = 0; i < n; ++i)
+      variance_reduction::weight_windows.push_back(
+        make_unique<WeightWindows>());
+    return 0;
+  }
+
+  extern "C" size_t openmc_weight_windows_size()
+  {
+    return variance_reduction::weight_windows.size();
+  }
+
+  extern "C" int openmc_weight_windows_export(const char* filename)
+  {
+
+    if (!mpi::master)
+      return 0;
+
+    std::string name = filename ? filename : "weight_windows.h5";
+
+    write_message(fmt::format("Exporting weight windows to {}...", name), 5);
+
+    hid_t ww_file = file_open(name, 'w');
+
+    // Write file type
+    write_attribute(ww_file, "filetype", "weight_windows");
+
+    // Write revisiion number for state point file
+    write_attribute(ww_file, "version", VERSION_WEIGHT_WINDOWS);
+
+    hid_t weight_windows_group = create_group(ww_file, "weight_windows");
+
+    hid_t mesh_group = create_group(ww_file, "meshes");
+
+    std::vector<int32_t> mesh_ids;
+    std::vector<int32_t> ww_ids;
+    for (const auto& ww : variance_reduction::weight_windows) {
+
+      ww->to_hdf5(weight_windows_group);
+      ww_ids.push_back(ww->id());
+
+      // if the mesh has already been written, move on
+      int32_t mesh_id = ww->mesh()->id();
+      if (std::find(mesh_ids.begin(), mesh_ids.end(), mesh_id) !=
+          mesh_ids.end())
+        continue;
+
+      mesh_ids.push_back(mesh_id);
+      ww->mesh()->to_hdf5(mesh_group);
+    }
+
+    write_attribute(mesh_group, "n_meshes", mesh_ids.size());
+    write_attribute(mesh_group, "ids", mesh_ids);
+    close_group(mesh_group);
+
+    write_attribute(weight_windows_group, "n_weight_windows", ww_ids.size());
+    write_attribute(weight_windows_group, "ids", ww_ids);
+    close_group(weight_windows_group);
+
+    file_close(ww_file);
+
+    return 0;
+  }
+
+  extern "C" int openmc_weight_windows_import(const char* filename)
+  {
+    std::string name = filename ? filename : "weight_windows.h5";
+
+    if (mpi::master)
+      write_message(
+        fmt::format("Importing weight windows from {}...", name), 5);
+
+    if (!file_exists(name)) {
+      set_errmsg(fmt::format("File '{}' does not exist", name));
+    }
+
+    hid_t ww_file = file_open(name, 'r');
+
+    // Check that filetype is correct
+    std::string filetype;
+    read_attribute(ww_file, "filetype", filetype);
+    if (filetype != "weight_windows") {
+      file_close(ww_file);
+      set_errmsg(fmt::format("File '{}' is not a weight windows file.", name));
+      return OPENMC_E_INVALID_ARGUMENT;
+    }
+
+    // Check that the file version is compatible
+    std::array<int, 2> file_version;
+    read_attribute(ww_file, "version", file_version);
+    if (file_version[0] != VERSION_WEIGHT_WINDOWS[0]) {
+      std::string err_msg =
+        fmt::format("File '{}' has version {} which is incompatible with the "
+                    "expected version ({}).",
+          name, file_version, VERSION_WEIGHT_WINDOWS);
+      set_errmsg(err_msg);
+      return OPENMC_E_INVALID_ARGUMENT;
+    }
+
+    hid_t weight_windows_group = open_group(ww_file, "weight_windows");
+
+    std::vector<std::string> names = group_names(weight_windows_group);
+
+    for (const auto& name : names) {
+      WeightWindows::from_hdf5(weight_windows_group, name);
+    }
+
+    close_group(weight_windows_group);
+
+    file_close(ww_file);
+
+    return 0;
+  }
+
 } // namespace openmc
diff --git a/tests/regression_tests/track_output/results_true.dat b/tests/regression_tests/track_output/results_true.dat
index 37f4a0f98..746f1448f 100644
--- a/tests/regression_tests/track_output/results_true.dat
+++ b/tests/regression_tests/track_output/results_true.dat
@@ -1,4 +1,4 @@
-ParticleType.NEUTRON [((-9.663085e-01, -6.616522e-01, -9.863690e-01), (-7.513921e-01, 4.140970e-01, 5.137447e-01), 5.293873e+06, 0.000000e+00, 1.000000e+00, 23, 2403, 1)
+neutron [((-9.663085e-01, -6.616522e-01, -9.863690e-01), (-7.513921e-01, 4.140970e-01, 5.137447e-01), 5.293873e+06, 0.000000e+00, 1.000000e+00, 23, 2403, 1)
  ((-1.281491e+00, -4.879529e-01, -7.708709e-01), (-7.513921e-01, 4.140970e-01, 5.137447e-01), 5.293873e+06, 1.323629e-10, 1.000000e+00, 22, 2403, 3)
  ((-1.368452e+00, -4.400285e-01, -7.114141e-01), (-7.513921e-01, 4.140970e-01, 5.137447e-01), 5.293873e+06, 1.688824e-10, 1.000000e+00, 21, 2403, 2)
  ((-2.150539e+00, -9.015151e-03, -1.766823e-01), (-7.513921e-01, 4.140970e-01, 5.137447e-01), 5.293873e+06, 4.973246e-10, 1.000000e+00, 22, 2403, 3)
@@ -117,7 +117,7 @@ ParticleType.NEUTRON [((-9.663085e-01, -6.616522e-01, -9.863690e-01), (-7.513921
  ((-1.682182e+01, 1.413107e+00, -2.343954e+01), (6.002458e-01, 4.967948e-01, 6.268172e-01), 8.602342e-03, 2.164421e-05, 1.000000e+00, 21, 2129, 2)
  ((-1.636364e+01, 1.792326e+00, -2.296107e+01), (9.641593e-01, -1.162836e-01, 2.384846e-01), 7.837617e-03, 2.759442e-05, 1.000000e+00, 21, 2129, 2)
  ((-1.598564e+01, 1.746738e+00, -2.286758e+01), (9.641593e-01, -1.162836e-01, 2.384846e-01), 7.837617e-03, 3.079609e-05, 0.000000e+00, 21, 2129, 2)]
-ParticleType.NEUTRON [((-9.469716e-01, -2.580266e-01, 1.414357e-01), (1.438873e-01, 2.365819e-01, 9.608983e-01), 9.724461e+05, 0.000000e+00, 1.000000e+00, 23, 2403, 1)
+neutron [((-9.469716e-01, -2.580266e-01, 1.414357e-01), (1.438873e-01, 2.365819e-01, 9.608983e-01), 9.724461e+05, 0.000000e+00, 1.000000e+00, 23, 2403, 1)
  ((-9.064818e-01, -1.914524e-01, 4.118326e-01), (9.231638e-01, 3.100833e-01, 2.271937e-01), 1.746594e+05, 2.064696e-10, 1.000000e+00, 23, 2403, 1)
  ((-8.178800e-01, -1.616918e-01, 4.336377e-01), (9.231638e-01, 3.100833e-01, 2.271937e-01), 1.746594e+05, 3.725262e-10, 1.000000e+00, 11, 1756, 1)
  ((-3.834875e-01, -1.578285e-02, 5.405432e-01), (-5.547498e-01, -6.358598e-02, 8.295839e-01), 1.474011e+05, 1.186660e-09, 1.000000e+00, 11, 1756, 1)
@@ -143,7 +143,7 @@ ParticleType.NEUTRON [((-9.469716e-01, -2.580266e-01, 1.414357e-01), (1.438873e-
  ((-3.920090e+00, -9.211794e-01, 2.908406e+00), (9.094673e-01, -3.659267e-01, -1.974002e-01), 9.547085e+00, 1.260840e-07, 1.000000e+00, 23, 2387, 1)
  ((-3.729948e+00, -9.976834e-01, 2.867135e+00), (-2.916959e-01, -6.494657e-01, -7.022164e-01), 8.590591e+00, 1.750036e-07, 1.000000e+00, 23, 2387, 1)
  ((-3.744933e+00, -1.031047e+00, 2.831062e+00), (-2.916959e-01, -6.494657e-01, -7.022164e-01), 8.590591e+00, 1.876753e-07, 0.000000e+00, 23, 2387, 1)]
-ParticleType.NEUTRON [((6.474155e+00, -5.192870e+00, 5.413003e+00), (-9.112559e-01, 3.950037e-01, 1.165536e-01), 2.052226e+06, 4.450859e-05, 1.000000e+00, 21, 2367, 2)
+neutron [((6.474155e+00, -5.192870e+00, 5.413003e+00), (-9.112559e-01, 3.950037e-01, 1.165536e-01), 2.052226e+06, 4.450859e-05, 1.000000e+00, 21, 2367, 2)
  ((6.037250e+00, -5.003484e+00, 5.468885e+00), (-9.112559e-01, 3.950037e-01, 1.165536e-01), 2.052226e+06, 4.450883e-05, 1.000000e+00, 22, 2367, 3)
  ((5.942573e+00, -4.962444e+00, 5.480995e+00), (-9.112559e-01, 3.950037e-01, 1.165536e-01), 2.052226e+06, 4.450888e-05, 1.000000e+00, 23, 2367, 1)
  ((5.861800e+00, -4.927431e+00, 5.491326e+00), (-9.518772e-01, -3.064714e-01, -2.259335e-03), 1.141417e+06, 4.450892e-05, 1.000000e+00, 23, 2367, 1)
diff --git a/tests/regression_tests/weightwindows/generators/__init__.py b/tests/regression_tests/weightwindows/generators/__init__.py
new file mode 100644
index 000000000..e69de29bb
diff --git a/tests/regression_tests/weightwindows/generators/test.py b/tests/regression_tests/weightwindows/generators/test.py
new file mode 100644
index 000000000..f5bfc4dcd
--- /dev/null
+++ b/tests/regression_tests/weightwindows/generators/test.py
@@ -0,0 +1,54 @@
+import os
+
+import numpy as np
+import openmc
+import pytest
+
+
+def test_ww_generator(run_in_tmpdir):
+    # create a simple spherical shield model
+    model = openmc.Model()
+
+    water = openmc.Material()
+    water.set_density('g/cc', 1.0)
+    water.add_nuclide('H1', 0.66)
+    water.add_nuclide('O16', 0.34)
+
+    s = openmc.Sphere(r=50, boundary_type='vacuum')
+    c = openmc.Cell(fill=water, region=-s)
+
+    model.geometry = openmc.Geometry([c])
+
+    model.settings.particles = 500
+    model.settings.batches = 5
+    model.settings.run_mode = 'fixed source'
+    model.settings.max_splits = 100
+
+    mesh = openmc.RegularMesh.from_domain(model.geometry.root_universe)
+    energy_bounds = np.linspace(0.0, 1e6, 70)
+    particle = 'neutron'
+
+    wwg = openmc.WeightWindowGenerator(mesh, energy_bounds, particle)
+    wwg.update_parameters = {'ratio' : 5.0, 'threshold': 0.8, 'value' : 'mean'}
+
+    model.settings.weight_window_generators = wwg
+    model.export_to_xml()
+
+    model.run()
+    # we test the effectiveness of the update method elsewhere, so
+    # just test that the generation happens successfully here
+    assert os.path.exists('weight_windows.h5')
+
+    wws_mean = openmc.hdf5_to_wws()
+    assert len(wws_mean) == 1
+
+    # check that generation using the relative error works too
+    wwg.update_parameters['value'] = 'rel_err'
+    model.run()
+
+    wws_rel_err = openmc.hdf5_to_wws()
+    assert len(wws_rel_err) == 1
+
+    # we should not get the same set of weight windows when switching to use of
+    # rel. err.
+    assert (wws_mean[0].lower_ww_bounds != wws_rel_err[0].lower_ww_bounds).any()
diff --git a/tests/unit_tests/weightwindows/test.py b/tests/unit_tests/weightwindows/test.py
index 1dfad56aa..dce75c740 100644
--- a/tests/unit_tests/weightwindows/test.py
+++ b/tests/unit_tests/weightwindows/test.py
@@ -6,6 +6,7 @@ import pytest
 from uncertainties import ufloat
 
 import openmc
+import openmc.lib
 from openmc.stats import Discrete, Point
 
 from tests import cdtemp
@@ -15,8 +16,6 @@ from tests import cdtemp
 def wws():
 
     # weight windows
-
-
     ww_files = ('ww_n.txt', 'ww_p.txt')
     cwd = Path(__file__).parent.absolute()
     ww_n_file, ww_p_file = [cwd / Path(f) for f in ww_files]
@@ -240,3 +239,47 @@ def test_roundtrip(run_in_tmpdir, model, wws):
     # ensure the lower bounds read in from the XML match those of the
     for ww_out, ww_in in zipped_wws:
         assert(ww_out == ww_in)
+
+
+def test_ww_attrs(run_in_tmpdir, model):
+    model.export_to_xml()
+
+    openmc.lib.init()
+
+    tally = openmc.lib.tallies[model.tallies[0].id]
+
+    wws = openmc.lib.WeightWindows.from_tally(tally)
+
+    # this is the first weight window object created
+    assert wws.id == 1
+
+    with pytest.raises(ValueError):
+        tally.find_filter(openmc.lib.AzimuthalFilter)
+
+    mesh_filter = tally.find_filter(openmc.lib.MeshFilter)
+    mesh = mesh_filter.mesh
+
+    assert wws.mesh.id == mesh.id
+
+    assert wws.particle == openmc.ParticleType.NEUTRON
+
+    wws.particle = 1
+    assert wws.particle == openmc.ParticleType.PHOTON
+    wws.particle = 'photon'
+    assert wws.particle == openmc.ParticleType.PHOTON
+
+    with pytest.raises(ValueError):
+        wws.particle = '🌠'
+
+    energy_filter = tally.find_filter(openmc.lib.EnergyFilter)
+    np.testing.assert_allclose(np.unique(energy_filter.bins), wws.energy_bounds)
+
+    # at this point the weight window bounds are uninitialized
+    assert all(wws.bounds[0] == -1)
+    assert all(wws.bounds[1] == -1)
+
+    wws = openmc.lib.WeightWindows.from_tally(tally, particle='photon')
+    assert wws.id == 2
+    assert wws.particle == openmc.ParticleType.PHOTON
+
+    openmc.lib.finalize()
\ No newline at end of file
diff --git a/tests/unit_tests/weightwindows/test_ww_gen.py b/tests/unit_tests/weightwindows/test_ww_gen.py
new file mode 100644
index 000000000..74bbcfada
--- /dev/null
+++ b/tests/unit_tests/weightwindows/test_ww_gen.py
@@ -0,0 +1,316 @@
+from itertools import permutations
+from pathlib import Path
+
+import numpy as np
+import openmc
+import openmc.lib
+import pytest
+
+
+@pytest.fixture
+def model():
+    openmc.reset_auto_ids()
+
+    # create a simple spherical shell shielding model
+
+    ### Materials ###
+    water = openmc.Material()
+    water.set_density('g/cc', 1.0)
+    water.add_nuclide("H1", 2)
+    water.add_nuclide("O16", 1)
+
+    steel = openmc.Material()
+    steel.set_density('g/cc', 8.0)
+    steel.add_nuclide("Fe56", 1.0)
+
+    air = openmc.Material()
+    air.set_density('g/cc', 0.001205)
+    air.add_nuclide("N14", 0.781557629247)
+    air.add_nuclide("O16", 0.210668126508)
+
+    boron = openmc.Material()
+    boron.set_density('g/cc', 2.52)
+    boron.add_nuclide("B10", 0.15856)
+    boron.add_nuclide("B11", 0.64144)
+    boron.add_nuclide("C0", 0.2)
+
+    ### Geometry ###
+    radii = [5.0, 10.0, 30.0, 31.0, 50.0]
+
+    surfs = [openmc.Sphere(r=r) for r in radii]
+
+    surfs[-1].boundary_type = 'vacuum'
+
+    regions = openmc.model.subdivide(surfs)
+
+    mats = [air, water, steel, boron, air]
+
+    cells = [openmc.Cell(fill=m, region=r) for r, m in zip(regions, mats)]
+
+    geometry = openmc.Geometry(cells)
+
+    ### Settings ###
+
+    settings = openmc.Settings(
+        run_mode='fixed source',
+        particles=100,
+        batches=10,
+        max_splits=10,
+        survival_biasing=False
+    )
+
+    # 10 keV neutron point source at the origin
+    space = openmc.stats.Point()
+    energy = openmc.stats.Discrete(x=[1e4], p=[1.0])
+    settings.source = openmc.Source(space=space, energy=energy)
+
+    return openmc.Model(geometry=geometry, settings=settings)
+
+
+# create a tally used for weight window generation
+mesh = openmc.RegularMesh()
+mesh.lower_left = [-50.0] * 3
+mesh.upper_right = [50.0] * 3
+# use un-equal mesh widths in each dimension to more robustly check
+# use of tally data
+mesh.dimension = (19, 20, 21)
+
+mf = openmc.MeshFilter(mesh)
+
+ef = openmc.EnergyFilter([0.0, 1e7])
+
+pf = openmc.ParticleFilter(['neutron', 'photon'])
+
+filters = [mf, ef, pf]
+
+test_cases = list(permutations(filters))
+test_cases += list(permutations(filters[:-1]))
+test_cases += list(permutations(filters[::2]))
+
+
+def labels(params):
+    out = []
+    for p in params:
+        if isinstance(p, openmc.ParticleFilter):
+            out.append('particle')
+        elif isinstance(p, openmc.MeshFilter):
+            out.append('mesh')
+        elif isinstance(p, openmc.EnergyFilter):
+            out.append('energy')
+    return "filters:" + '-'.join(out)
+
+
+@pytest.mark.parametrize("filters", test_cases, ids=labels)
+def test_ww_gen(filters, model):
+
+    tally = openmc.Tally()
+    tally.filters = list(filters)
+    tally.scores = ['flux']
+    model.tallies = openmc.Tallies([tally])
+
+    model.export_to_model_xml()
+
+    ref_lower = None
+    ref_upper = None
+    # test weight window generation capability
+    with openmc.lib.run_in_memory():
+
+        # retrieve the tally we created above in memory
+        lib_tally = openmc.lib.tallies[tally.id]
+
+        # create a new weight windows object
+        ww = openmc.lib.WeightWindows.from_tally(lib_tally)
+
+        # run particle transport
+        openmc.lib.run()
+
+        # capture analog data
+        analog_mean = np.copy(lib_tally.mean)
+
+        # update the weight window values using tally results
+        ww.update_magic(lib_tally)
+
+        assert any(ww.bounds[0] != -1)
+        assert any(ww.bounds[1] != -1)
+
+        # make sure that the weight window update doesn't change tally values
+        np.testing.assert_equal(lib_tally.mean, analog_mean)
+
+        # check against weight windows from the previous iteration
+        # the order of filters should not change the weight window values
+        if ref_lower is None:
+            ref_lower = ww.bounds[0].copy()
+        else:
+            np.testing.assert_equal(ref_lower, ww.bounds[0])
+
+        if ref_upper is None:
+            ref_upper = ww.bounds[1].copy()
+        else:
+            np.testing.assert_equal(ref_upper, ww.bounds[1])
+
+        # turn on weight windows for the subsequent run
+        openmc.lib.settings.weight_windows_on = True
+
+        openmc.lib.hard_reset()
+
+        openmc.lib.run()
+
+        ww_mean = np.copy(lib_tally.mean)
+
+        # we expect that the application of weight windows will populate more tally
+        # bins than the analog run for the meshes in this test model
+        assert any(ww_mean != analog_mean)
+        assert np.count_nonzero(ww_mean) > np.count_nonzero(analog_mean)
+
+
+def test_ww_import_export(run_in_tmpdir, model):
+    # create a tally for weight windows
+    mesh = openmc.RegularMesh()
+    mesh.lower_left = [-50.0] * 3
+    mesh.upper_right = [50.0] * 3
+    # use un-equal mesh widths in each dimension to more robustly check
+    # use of tally data
+    mesh.dimension = (3, 4, 5)
+
+    mf = openmc.MeshFilter(mesh)
+
+    e_groups = np.logspace(0, 7, 8)
+    ef = openmc.EnergyFilter(e_groups)
+
+    pf = openmc.ParticleFilter(['neutron', 'photon'])
+
+    tally = openmc.Tally()
+    tally.filters = [mf, ef, pf]
+    tally.scores = ['flux']
+
+    model.tallies = openmc.Tallies([tally])
+
+    # first, generate some weight windows
+    model.export_to_model_xml()
+
+    openmc.lib.init()
+
+    tally = openmc.lib.tallies[tally.id]
+
+    ww = openmc.lib.WeightWindows.from_tally(tally)
+
+    openmc.lib.run()
+
+    mean_before = np.array(tally.mean)
+
+    ww.update_magic(tally)
+
+    mean_after = np.array(tally.mean)
+
+    assert (mean_before == mean_after).all()
+
+    lb_before, up_before = ww.bounds
+
+    openmc.lib.export_weight_windows()
+
+    assert Path('weight_windows.h5').exists()
+
+    openmc.lib.import_weight_windows('weight_windows.h5')
+
+    ww = openmc.lib.weight_windows[2]
+
+    lb_after, up_after = ww.bounds
+
+    assert np.allclose(lb_before, lb_after)
+    assert np.allclose(up_before, up_after)
+
+    openmc.lib.finalize()
+
+
+def test_ww_gen_roundtrip(run_in_tmpdir, model):
+
+    mesh = openmc.RegularMesh.from_domain(model.geometry.root_universe)
+    energy_bounds = np.linspace(0.0, 1e8, 11)
+    particle_type = 'neutron'
+
+    wwg = openmc.WeightWindowGenerator(mesh, energy_bounds, particle_type)
+    wwg.update_params = {'ratio' : 5.0,
+                         'threshold': 0.8,
+                         'value' : 'mean'}
+
+    model.settings.weight_window_generators = wwg
+    model.export_to_xml()
+
+    model_in = openmc.Model.from_xml()
+
+    assert len(model_in.settings.weight_window_generators) == 1
+
+    wwg_in = model.settings.weight_window_generators[0]
+
+    # rountrip tests
+    model_in = openmc.Model.from_xml()
+    assert len(model_in.settings.weight_window_generators) == 1
+    wwg_in = model_in.settings.weight_window_generators[0]
+    assert wwg_in.max_realizations == 1
+    assert wwg_in.on_the_fly == True
+    assert wwg_in.update_interval == 1
+    assert wwg_in.update_parameters == wwg.update_parameters
+
+    with pytest.raises(ValueError):
+        wwg.method = '🦍🐒'
+
+    with pytest.raises(TypeError):
+        wwg.update_parameters = {'ratio' : 'one-to-one'}
+
+    with pytest.raises(ValueError):
+        wwg.max_realizations = -1
+
+
+def test_python_hdf5_roundtrip(run_in_tmpdir, model):
+
+    # add a tally to the model
+    mesh = openmc.RegularMesh.from_domain(model.geometry)
+
+    # some arbitrary energy groups
+    e_groups = np.logspace(0, 6, 4)
+    energy_filter = openmc.EnergyFilter(e_groups)
+
+    bounds = np.arange(energy_filter.num_bins * np.prod(mesh.dimension))
+
+    wws = openmc.WeightWindows(mesh, bounds, bounds, energy_bounds=e_groups)
+
+    model.settings.weight_windows = [wws]
+
+    model.export_to_xml()
+
+    # initialize and export wws to HDF5
+    openmc.lib.init()
+
+    openmc.lib.export_weight_windows()
+
+    openmc.lib.finalize()
+
+    wws_hdf5 = openmc.hdf5_to_wws()[0]
+
+    # ensure
+    assert all(wws.energy_bounds == wws_hdf5.energy_bounds)
+    assert wws.id == wws_hdf5.id
+    assert wws.mesh.id == wws_hdf5.mesh.id
+    np.testing.assert_array_equal(wws.lower_ww_bounds, wws_hdf5.lower_ww_bounds)
+    np.testing.assert_array_equal(wws.upper_ww_bounds, wws_hdf5.upper_ww_bounds)
+
+
+def test_ww_bounds_set_in_memory(run_in_tmpdir, model):
+    tally = openmc.Tally()
+    tally.filters = filters
+    tally.scores = ['flux']
+    model.tallies = [tally]
+
+    bounds = np.arange(ef.num_bins * np.prod(mf.mesh.dimension))
+
+    model.export_to_xml()
+
+    openmc.lib.init()
+
+    lib_tally = openmc.lib.tallies[tally.id]
+
+    wws = openmc.lib.WeightWindows.from_tally(lib_tally)
+
+    wws.bounds = (bounds, bounds)
+
+    openmc.lib.finalize()

From bc4e95127c4bbbe1b98557debfbc5e689aa6690a Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Sun, 11 Jun 2023 15:05:16 -0500
Subject: [PATCH 1864/2654] Fix potential out-of-bounds access in TimeFilter
 (#2532)

---
 src/tallies/filter_time.cpp | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/src/tallies/filter_time.cpp b/src/tallies/filter_time.cpp
index 787acc49e..0378aa28d 100644
--- a/src/tallies/filter_time.cpp
+++ b/src/tallies/filter_time.cpp
@@ -80,10 +80,11 @@ void TimeFilter::get_all_bins(
       if (t_end < bins_[i_bin + 1])
         break;
     }
-  } else {
+  } else if (t_end < bins_.back()) {
     // -------------------------------------------------------------------------
     // For collision estimator or surface tallies, find a match based on the
     // exact time of the particle
+
     const auto i_bin = lower_bound_index(bins_.begin(), bins_.end(), t_end);
     match.bins_.push_back(i_bin);
     match.weights_.push_back(1.0);

From 6693ff3229a996ebe8de0a6b51950d74bf5f9135 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Mon, 12 Jun 2023 09:35:12 -0500
Subject: [PATCH 1865/2654] Add issue and pull request templates (#2560)

---
 .github/ISSUE_TEMPLATE/bug_report.md      | 29 +++++++++++++++++++++++
 .github/ISSUE_TEMPLATE/config.yml         |  5 ++++
 .github/ISSUE_TEMPLATE/documentation.md   | 10 ++++++++
 .github/ISSUE_TEMPLATE/feature_request.md | 19 +++++++++++++++
 .github/pull_request_template.md          | 24 +++++++++++++++++++
 5 files changed, 87 insertions(+)
 create mode 100644 .github/ISSUE_TEMPLATE/bug_report.md
 create mode 100644 .github/ISSUE_TEMPLATE/config.yml
 create mode 100644 .github/ISSUE_TEMPLATE/documentation.md
 create mode 100644 .github/ISSUE_TEMPLATE/feature_request.md
 create mode 100644 .github/pull_request_template.md

diff --git a/.github/ISSUE_TEMPLATE/bug_report.md b/.github/ISSUE_TEMPLATE/bug_report.md
new file mode 100644
index 000000000..99ba77a6f
--- /dev/null
+++ b/.github/ISSUE_TEMPLATE/bug_report.md
@@ -0,0 +1,29 @@
+---
+name: Bug report
+about: Report a bug that is preventing proper operation
+title: ''
+labels: Bugs
+assignees: ''
+
+---
+
+<!--
+If you are a user of OpenMC and are running into trouble with the code or are
+seeking general user support, we highly recommend posting on the OpenMC
+discourse forum first. GitHub issues should be used specifically for bug reports
+and feature requests.
+
+https://openmc.discourse.group/
+
+-->
+
+## Bug Description
+<!--A clear and concise description of the problem (Note: A missing feature is not a bug).-->
+
+
+## Steps to Reproduce
+<!--Steps to reproduce the behavior (input file, or modifications to an existing input file, etc.)-->
+
+
+## Environment
+<!--Operating system, OpenMC version, how OpenMC was installed, nuclear data being used, etc.-->
diff --git a/.github/ISSUE_TEMPLATE/config.yml b/.github/ISSUE_TEMPLATE/config.yml
new file mode 100644
index 000000000..40e40338b
--- /dev/null
+++ b/.github/ISSUE_TEMPLATE/config.yml
@@ -0,0 +1,5 @@
+blank_issues_enabled: false
+contact_links:
+  - name: Troubleshooting and User Support
+    url: https://openmc.discourse.group/
+    about: For user support and troubleshooting, please use our Discourse forum
diff --git a/.github/ISSUE_TEMPLATE/documentation.md b/.github/ISSUE_TEMPLATE/documentation.md
new file mode 100644
index 000000000..04ecb8cf9
--- /dev/null
+++ b/.github/ISSUE_TEMPLATE/documentation.md
@@ -0,0 +1,10 @@
+---
+name: Documentation improvement
+about: Found something incomplete or incorrect in our documentation?
+title: ''
+labels: Documentation
+assignees: ''
+
+---
+
+<!--Describe the issue with the documentation and include a URL to the corresponding page-->
diff --git a/.github/ISSUE_TEMPLATE/feature_request.md b/.github/ISSUE_TEMPLATE/feature_request.md
new file mode 100644
index 000000000..ddf49b894
--- /dev/null
+++ b/.github/ISSUE_TEMPLATE/feature_request.md
@@ -0,0 +1,19 @@
+---
+name: Feature request
+about: Suggest a new feature or enhancement to existing capabilities
+title: ''
+labels: ''
+assignees: ''
+
+---
+
+## Description
+<!--What is the feature or enhancement?-->
+
+
+## Alternatives
+<!--If alternative solutions have been considered, describe them here and the reasoning for the chosen solution --->
+
+
+## Compatibility
+<!--Will the enhancement change existing APIs or add something new?-->
diff --git a/.github/pull_request_template.md b/.github/pull_request_template.md
new file mode 100644
index 000000000..030914812
--- /dev/null
+++ b/.github/pull_request_template.md
@@ -0,0 +1,24 @@
+<!--
+If you are a first-time contributor to OpenMC, please have a look at our
+contributing guidelines:
+https://github.com/openmc-dev/openmc/blob/develop/CONTRIBUTING.md
+-->
+
+# Description
+
+Please include a summary of the change and which issue is fixed if applicable. Please also include relevant motivation and context.
+
+Fixes # (issue)
+
+# Checklist
+
+- [ ] I have performed a self-review of my own code
+- [ ] I have run [clang-format](https://docs.openmc.org/en/latest/devguide/styleguide.html#automatic-formatting) on any C++ source files (if applicable)
+- [ ] I have followed the [style guidelines](https://docs.openmc.org/en/latest/devguide/styleguide.html#python) for Python source files (if applicable)
+- [ ] I have made corresponding changes to the documentation (if applicable)
+- [ ] I have added tests that prove my fix is effective or that my feature works (if applicable)
+<!--
+While tests will automatically be checked by CI, it is good practice to
+ensure that they pass locally first. See instructions here:
+https://docs.openmc.org/en/latest/devguide/tests.html
+-->

From 98c4eb2a2cd7589a891cf1d19e937b0b72e6d39e Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 13 Jun 2023 06:19:10 -0500
Subject: [PATCH 1866/2654] Several small documentation updates (#2558)

---
 docs/source/devguide/docbuild.rst           | 17 +++++----------
 docs/source/devguide/tests.rst              | 18 +++++++---------
 docs/source/devguide/workflow.rst           |  2 +-
 docs/source/io_formats/particle_restart.rst |  2 ++
 docs/source/io_formats/statepoint.rst       |  2 +-
 docs/source/quickinstall.rst                |  2 +-
 docs/source/usersguide/basics.rst           | 23 ++++++---------------
 docs/source/usersguide/install.rst          | 20 +++++++++---------
 8 files changed, 33 insertions(+), 53 deletions(-)

diff --git a/docs/source/devguide/docbuild.rst b/docs/source/devguide/docbuild.rst
index 38ef628df..389a423f3 100644
--- a/docs/source/devguide/docbuild.rst
+++ b/docs/source/devguide/docbuild.rst
@@ -5,21 +5,14 @@ Building Sphinx Documentation
 =============================
 
 In order to build the documentation in the ``docs`` directory, you will need to
-have the `Sphinx <https://www.sphinx-doc.org/en/master/>`_ third-party Python
-package. The easiest way to install Sphinx is via pip:
+have the several third-party Python packages installed, including `Sphinx
+<https://www.sphinx-doc.org/en/master/>`_. To install the necessary
+prerequisites, provide the optional "docs" dependencies when installing OpenMC's
+Python API. That is, from the root directory of the OpenMC repository:
 
 .. code-block:: sh
 
-    pip install sphinx
-
-Additionally, you will need several Sphinx extensions that can be installed
-directly with pip:
-
-.. code-block:: sh
-
-    pip install sphinx-numfig
-    pip install sphinxcontrib-katex
-    pip install sphinxcontrib-svg2pdfconverter
+    python -m pip install .[docs]
 
 -----------------------------------
 Building Documentation as a Webpage
diff --git a/docs/source/devguide/tests.rst b/docs/source/devguide/tests.rst
index d076511b1..582bb033d 100644
--- a/docs/source/devguide/tests.rst
+++ b/docs/source/devguide/tests.rst
@@ -23,11 +23,7 @@ Prerequisites
   OpenMC in development/editable mode. With setuptools, this is accomplished by
   running::
 
-      python setup.py develop
-
-  or using pip (recommended)::
-
-      pip install -e .[test]
+      python -m pip install -e .[test]
 
 - The test suite requires a specific set of cross section data in order for
   tests to pass. A download URL for the data that OpenMC expects can be found
@@ -83,13 +79,13 @@ does not exist run::
 
     touch test_<name-of-header-file>.cpp
 
-The file must be added to the CMake build system in 
-``tests/cpp_unit_tests/CMakeLists.txt``. ``test_<name-of-header-file>`` should 
-be added to ``TEST_NAMES``. 
+The file must be added to the CMake build system in
+``tests/cpp_unit_tests/CMakeLists.txt``. ``test_<name-of-header-file>`` should
+be added to ``TEST_NAMES``.
 
-To add a test case to ``test_<name-of-header-file>.cpp`` ensure 
-``catch2/catch_test_macros.hpp`` is included. A unit test can then be added 
-using the ``TEST_CASE`` macro and the ``REQUIRE`` assertion from Catch2. 
+To add a test case to ``test_<name-of-header-file>.cpp`` ensure
+``catch2/catch_test_macros.hpp`` is included. A unit test can then be added
+using the ``TEST_CASE`` macro and the ``REQUIRE`` assertion from Catch2.
 
 Adding Tests to the Regression Suite
 ------------------------------------
diff --git a/docs/source/devguide/workflow.rst b/docs/source/devguide/workflow.rst
index 6b5ec63cb..d6a3c6ba4 100644
--- a/docs/source/devguide/workflow.rst
+++ b/docs/source/devguide/workflow.rst
@@ -116,7 +116,7 @@ pip_. From the root directory of the OpenMC repository, run:
 
 .. code-block:: sh
 
-    pip install -e .[test]
+    python -m pip install -e .[test]
 
 This installs the OpenMC Python package in `"editable" mode
 <https://pip.pypa.io/en/stable/cli/pip_install/#editable-installs>`_ so that 1)
diff --git a/docs/source/io_formats/particle_restart.rst b/docs/source/io_formats/particle_restart.rst
index 53f86735f..2734f0470 100644
--- a/docs/source/io_formats/particle_restart.rst
+++ b/docs/source/io_formats/particle_restart.rst
@@ -26,6 +26,8 @@ The current version of the particle restart file format is 2.0.
            - **run_mode** (*char[]*) -- Run mode used, either 'fixed source',
              'eigenvalue', or 'particle restart'.
            - **id** (*int8_t*) -- Unique identifier of the particle.
+           - **type** (*int*) -- Particle type (0=neutron, 1=photon, 2=electron,
+             3=positron)
            - **weight** (*double*) -- Weight of the particle.
            - **energy** (*double*) -- Energy of the particle in eV for
              continuous-energy mode, or the energy group of the particle for
diff --git a/docs/source/io_formats/statepoint.rst b/docs/source/io_formats/statepoint.rst
index 37a379b52..edff686b1 100644
--- a/docs/source/io_formats/statepoint.rst
+++ b/docs/source/io_formats/statepoint.rst
@@ -4,7 +4,7 @@
 State Point File Format
 =======================
 
-The current version of the statepoint file format is 17.0.
+The current version of the statepoint file format is 18.1.
 
 **/**
 
diff --git a/docs/source/quickinstall.rst b/docs/source/quickinstall.rst
index 480db5be6..b25b02fb8 100644
--- a/docs/source/quickinstall.rst
+++ b/docs/source/quickinstall.rst
@@ -157,7 +157,7 @@ distribution/repository, run:
 
 .. code-block:: sh
 
-    pip install .
+    python -m pip install .
 
 If you want to build a parallel version of OpenMC (using OpenMP or MPI),
 directions can be found in the :ref:`detailed installation instructions
diff --git a/docs/source/usersguide/basics.rst b/docs/source/usersguide/basics.rst
index 3394c17a6..60b599588 100644
--- a/docs/source/usersguide/basics.rst
+++ b/docs/source/usersguide/basics.rst
@@ -83,12 +83,12 @@ Creating Input Files
 .. currentmodule:: openmc
 
 The most rudimentary option for creating input files is to simply write them
-from scratch using the :ref:`XML format specifications
-<io_file_formats_input>`. This approach will feel familiar to users of other
-Monte Carlo codes such as MCNP and Serpent, with the added bonus that the XML
-formats feel much more "readable". Alternatively, input files can be generated
-using OpenMC's :ref:`Python API <pythonapi>`, which is introduced in the
-following section.
+from scratch using the :ref:`XML format specifications <io_file_formats_input>`.
+This approach will feel familiar to users of other Monte Carlo codes such as
+MCNP and Serpent, with the added bonus that the XML formats feel much more
+"readable". However, it is strongly recommended to generate input files using
+OpenMC's :ref:`Python API <pythonapi>`, which is introduced in the following
+section.
 
 ----------
 Python API
@@ -178,14 +178,3 @@ energy  electronvolt eV
 time    second       s
 ======= ============ ======
 
-------------------------------------
-ERSN-OpenMC Graphical User Interface
-------------------------------------
-
-A third-party Java-based user-friendly graphical user interface for creating XML
-input files called ERSN-OpenMC_ is developed and maintained by members of the
-Radiation and Nuclear Systems Group at the Faculty of Sciences Tetouan, Morocco.
-The GUI also allows one to automatically download prerequisites for installing and
-running OpenMC.
-
-.. _ERSN-OpenMC: https://github.com/EL-Bakkali-Jaafar/ERSN-OpenMC
diff --git a/docs/source/usersguide/install.rst b/docs/source/usersguide/install.rst
index ed02c5d9f..ab2cbe645 100644
--- a/docs/source/usersguide/install.rst
+++ b/docs/source/usersguide/install.rst
@@ -488,13 +488,13 @@ OpenMC locally by specifying an install prefix when running cmake:
 The ``CMAKE_INSTALL_PREFIX`` variable can be changed to any path for which you
 have write-access.
 
-Compiling on Windows 10
------------------------
+Compiling on Windows
+--------------------
 
-Recent versions of Windows 10 include a subsystem for Linux that allows one to
-run Bash within Ubuntu running in Windows. First, follow the installation guide
-`here <https://docs.microsoft.com/en-us/windows/wsl/install-win10>`_ to get Bash
-on Ubuntu on Windows setup. Once you are within bash, obtain the necessary
+Recent versions of Windows include a subsystem for Linux that allows one to run
+Bash within Ubuntu running in Windows. First, follow the installation guide
+`here <https://learn.microsoft.com/en-us/windows/wsl/install>`_ to get Bash on
+Ubuntu on Windows set up. Once you are within bash, obtain the necessary
 :ref:`prerequisites <prerequisites>` via ``apt``. Finally, follow the
 :ref:`instructions for compiling on linux <compile_linux>`.
 
@@ -522,7 +522,7 @@ distribution/repository, run:
 
 .. code-block:: sh
 
-    pip install .
+    python -m pip install .
 
 pip will first check that all :ref:`required third-party packages
 <usersguide_python_prereqs>` have been installed, and if they are not present,
@@ -608,15 +608,15 @@ for OpenMC. Thus, the install process would proceed as follows:
     make install
 
     cd ..
-    MPICC=<path to mpicc> pip install mpi4py
-    HDF5_DIR=<path to HDF5> pip install --no-binary=h5py h5py
+    MPICC=<path to mpicc> python -m pip install mpi4py
+    HDF5_DIR=<path to HDF5> python -m pip install --no-binary=h5py h5py
 
 If you are using parallel HDF5, you'll also need to make sure the right MPI
 wrapper is used when installing h5py:
 
 .. code-block:: sh
 
-    CC=<path to mpicc> HDF5_MPI=ON HDF5_DIR=<path to HDF5> pip install --no-binary=h5py h5py
+    CC=<path to mpicc> HDF5_MPI=ON HDF5_DIR=<path to HDF5> python -m pip install --no-binary=h5py h5py
 
 .. _Conda: https://conda.io/en/latest/
 .. _pip: https://pip.pypa.io/en/stable/

From 787b3e0308e3470c86155f82ae048a533095470a Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 15 Jun 2023 00:15:22 -0500
Subject: [PATCH 1867/2654] Use `multiply_density` in depletion reaction rate
 helper classes (#2559)

Co-authored-by: Andrew Johnson <drewejohnson@users.noreply.github.com>
---
 openmc/deplete/abc.py                  |  3 +--
 openmc/deplete/helpers.py              | 35 +++++++++++---------------
 openmc/deplete/independent_operator.py | 20 +++++++++------
 openmc/deplete/openmc_operator.py      | 22 +++++++++-------
 4 files changed, 42 insertions(+), 38 deletions(-)

diff --git a/openmc/deplete/abc.py b/openmc/deplete/abc.py
index d4cc1ba4d..802b3833f 100644
--- a/openmc/deplete/abc.py
+++ b/openmc/deplete/abc.py
@@ -274,8 +274,7 @@ class ReactionRateHelper(ABC):
         Parameters
         ----------
         number : iterable of float
-            Number density [atoms/b-cm] of each nuclide tracked in the
-            calculation.
+            Number of each nuclide in [atom] tracked in the calculation.
 
         Returns
         -------
diff --git a/openmc/deplete/helpers.py b/openmc/deplete/helpers.py
index ec0f65650..9a1fc6a3f 100644
--- a/openmc/deplete/helpers.py
+++ b/openmc/deplete/helpers.py
@@ -26,6 +26,7 @@ __all__ = (
     "ConstantFissionYieldHelper", "FissionYieldCutoffHelper",
     "AveragedFissionYieldHelper", "FluxCollapseHelper")
 
+
 class TalliedFissionYieldHelper(FissionYieldHelper):
     """Abstract class for computing fission yields with tallies
 
@@ -159,22 +160,23 @@ class DirectReactionRateHelper(ReactionRateHelper):
     def generate_tallies(self, materials, scores):
         """Produce one-group reaction rate tally
 
-        Uses the :mod:`openmc.lib` to generate a tally
-        of relevant reactions across all burnable materials.
+        Uses the :mod:`openmc.lib` to generate a tally of relevant reactions
+        across all burnable materials.
 
         Parameters
         ----------
-        materials : iterable of :class:`openmc.Material`
-            Burnable materials in the problem. Used to
-            construct a :class:`openmc.MaterialFilter`
+        materials : iterable of :class:`openmc.lib.Material`
+            Burnable materials in the problem. Used to construct a
+            :class:`openmc.lib.MaterialFilter`
         scores : iterable of str
-            Reaction identifiers, e.g. ``"(n, fission)"``,
-            ``"(n, gamma)"``, needed for the reaction rate tally.
+            Reaction identifiers, e.g. ``"(n, fission)"``, ``"(n, gamma)"``,
+            needed for the reaction rate tally.
         """
         self._rate_tally = Tally()
         self._rate_tally.writable = False
         self._rate_tally.scores = scores
         self._rate_tally.filters = [MaterialFilter(materials)]
+        self._rate_tally.multiply_density = False
         self._rate_tally_means_cache = None
 
     @property
@@ -194,7 +196,7 @@ class DirectReactionRateHelper(ReactionRateHelper):
         """
         self._rate_tally_means_cache = None
 
-    def get_material_rates(self, mat_id, nuc_index, react_index):
+    def get_material_rates(self, mat_id, nuc_index, rx_index):
         """Return an array of reaction rates for a material
 
         Parameters
@@ -204,7 +206,7 @@ class DirectReactionRateHelper(ReactionRateHelper):
         nuc_index : iterable of int
             Index for each nuclide in :attr:`nuclides` in the
             desired reaction rate matrix
-        react_index : iterable of int
+        rx_index : iterable of int
             Index for each reaction scored in the tally
 
         Returns
@@ -215,9 +217,8 @@ class DirectReactionRateHelper(ReactionRateHelper):
         """
         self._results_cache.fill(0.0)
         full_tally_res = self.rate_tally_means[mat_id]
-        for i_tally, (i_nuc, i_react) in enumerate(
-                product(nuc_index, react_index)):
-            self._results_cache[i_nuc, i_react] = full_tally_res[i_tally]
+        for i_tally, (i_nuc, i_rx) in enumerate(product(nuc_index, rx_index)):
+            self._results_cache[i_nuc, i_rx] = full_tally_res[i_tally]
 
         return self._results_cache
 
@@ -304,6 +305,7 @@ class FluxCollapseHelper(ReactionRateHelper):
             self._rate_tally.writable = False
             self._rate_tally.scores = self._reactions_direct
             self._rate_tally.filters = [MaterialFilter(materials)]
+            self._rate_tally.multiply_density = False
             self._rate_tally_means_cache = None
             if self._nuclides_direct is not None:
                 # check if any direct tally nuclides are requested that are not
@@ -375,13 +377,7 @@ class FluxCollapseHelper(ReactionRateHelper):
 
         mat = self._materials[mat_index]
 
-        # Build nucname: density mapping to enable O(1) lookup in loop below
-        densities = dict(zip(mat.nuclides, mat.densities))
-
         for name, i_nuc in zip(self.nuclides, nuc_index):
-            # Determine density of nuclide
-            density = densities[name]
-
             for mt, score, i_rx in zip(self._mts, self._scores, react_index):
                 if score in self._reactions_direct and name in nuclides_direct:
                     # Determine index in rx_rates
@@ -396,8 +392,7 @@ class FluxCollapseHelper(ReactionRateHelper):
                     rate_per_nuc = nuc.collapse_rate(
                         mt, mat.temperature, self._energies, flux)
 
-                    # Multiply by density to get absolute reaction rate
-                    self._results_cache[i_nuc, i_rx] = rate_per_nuc * density
+                    self._results_cache[i_nuc, i_rx] = rate_per_nuc
 
         return self._results_cache
 
diff --git a/openmc/deplete/independent_operator.py b/openmc/deplete/independent_operator.py
index 0c950b31b..6caef2635 100644
--- a/openmc/deplete/independent_operator.py
+++ b/openmc/deplete/independent_operator.py
@@ -295,7 +295,7 @@ class IndependentOperator(OpenMCOperator):
         ----------
         nuc_ind_map : dict of int to str
             Dictionary mapping the nuclide index to nuclide name
-        rxn_ind_map : dict of int to str
+        rx_ind_map : dict of int to str
             Dictionary mapping reaction index to reaction name
 
         """
@@ -305,7 +305,7 @@ class IndependentOperator(OpenMCOperator):
             super().__init__(rates.n_nuc, rates.n_react)
 
             self.nuc_ind_map = {ind: nuc for nuc, ind in rates.index_nuc.items()}
-            self.rxn_ind_map = {ind: rxn for rxn, ind in rates.index_rx.items()}
+            self.rx_ind_map = {ind: rxn for rxn, ind in rates.index_rx.items()}
             self._op = op
 
         def generate_tallies(self, materials, scores):
@@ -330,14 +330,20 @@ class IndependentOperator(OpenMCOperator):
             """
             self._results_cache.fill(0.0)
 
+            # Get volume in units of [b-cm]
+            volume_b_cm = 1e24 * self._op.number.get_mat_volume(mat_id)
+
             for i_nuc, i_react in product(nuc_index, react_index):
                 nuc = self.nuc_ind_map[i_nuc]
-                rxn = self.rxn_ind_map[i_react]
+                rx = self.rx_ind_map[i_react]
 
-                # Sigma^j_i * V = sigma^j_i * n_i * V = sigma^j_i * N_i
-                self._results_cache[i_nuc,i_react] = \
-                    self._op.cross_sections[rxn][nuc] * \
-                    self._op.number[mat_id, nuc]
+                # OK, this is kind of weird, but we multiply by volume in [b-cm]
+                # only because OpenMCOperator._calculate_reaction_rates has to
+                # divide it out later. It might make more sense to account for
+                # the source rate (flux) here rather than in the normalization
+                # helper.
+                self._results_cache[i_nuc, i_react] = \
+                    self._op.cross_sections[rx][nuc] * volume_b_cm
 
             return self._results_cache
 
diff --git a/openmc/deplete/openmc_operator.py b/openmc/deplete/openmc_operator.py
index 8a13bff7f..adf1c2eb7 100644
--- a/openmc/deplete/openmc_operator.py
+++ b/openmc/deplete/openmc_operator.py
@@ -371,8 +371,8 @@ class OpenMCOperator(TransportOperator):
 
         Parameters
         ----------
-        materials : list of str
-            list of material IDs
+        materials : list of openmc.lib.Material
+            list of materials
 
         Returns
         -------
@@ -503,7 +503,7 @@ class OpenMCOperator(TransportOperator):
 
         # Form fast map
         nuc_ind = [rates.index_nuc[nuc] for nuc in rxn_nuclides]
-        react_ind = [rates.index_rx[react] for react in self.chain.reactions]
+        rx_ind = [rates.index_rx[react] for react in self.chain.reactions]
 
         # Keep track of energy produced from all reactions in eV per source
         # particle
@@ -534,21 +534,25 @@ class OpenMCOperator(TransportOperator):
             for nuc, i_nuc_results in zip(rxn_nuclides, nuc_ind):
                 number[i_nuc_results] = self.number[mat, nuc]
 
+            # Get microscopic reaction rates in [(reactions/src)*b-cm/atom]. 2D
+            # array with shape (nuclides, reactions).
             tally_rates = self._rate_helper.get_material_rates(
-                mat_index, nuc_ind, react_ind)
+                mat_index, nuc_ind, rx_ind)
 
             # Compute fission yields for this material
             fission_yields.append(self._yield_helper.weighted_yields(i))
 
             # Accumulate energy from fission
+            volume_b_cm = 1e24 * self.number.get_mat_volume(mat)
             if fission_ind is not None:
-                self._normalization_helper.update(
-                    tally_rates[:, fission_ind])
+                atom_per_bcm = number / volume_b_cm
+                fission_rates = tally_rates[:, fission_ind] * atom_per_bcm
+                self._normalization_helper.update(fission_rates)
 
-            # Divide by total number of atoms and store
-            rates[i] = self._rate_helper.divide_by_atoms(number)
+            # Divide by [b-cm] to get [(reactions/src)/atom]
+            rates[i] = tally_rates / volume_b_cm
 
-        # Scale reaction rates to obtain units of (reactions/sec)/atom
+        # Scale reaction rates to obtain units of [(reactions/sec)/atom]
         rates *= self._normalization_helper.factor(source_rate)
 
         # Store new fission yields on the chain

From c5bc2302eb91745c810ddbaa97073ca8be0c3486 Mon Sep 17 00:00:00 2001
From: Lorenzo Chierici <l.chierici89@gmail.com>
Date: Fri, 16 Jun 2023 06:00:20 +0200
Subject: [PATCH 1868/2654] Transfer rates mpi (#2551)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/deplete/coupled_operator.py     |   3 +-
 openmc/deplete/independent_operator.py |   3 +-
 openmc/deplete/openmc_operator.py      |  24 +-----
 openmc/deplete/pool.py                 | 100 +++++++++++++++++--------
 openmc/deplete/transfer_rates.py       |   3 +
 5 files changed, 77 insertions(+), 56 deletions(-)

diff --git a/openmc/deplete/coupled_operator.py b/openmc/deplete/coupled_operator.py
index 669e98dda..d8d4838a4 100644
--- a/openmc/deplete/coupled_operator.py
+++ b/openmc/deplete/coupled_operator.py
@@ -21,7 +21,8 @@ from openmc.exceptions import DataError
 import openmc.lib
 from openmc.mpi import comm
 from .abc import OperatorResult
-from .openmc_operator import OpenMCOperator, _distribute
+from .openmc_operator import OpenMCOperator
+from .pool import _distribute
 from .results import Results
 from .helpers import (
     DirectReactionRateHelper, ChainFissionHelper, ConstantFissionYieldHelper,
diff --git a/openmc/deplete/independent_operator.py b/openmc/deplete/independent_operator.py
index 6caef2635..8d7882ac9 100644
--- a/openmc/deplete/independent_operator.py
+++ b/openmc/deplete/independent_operator.py
@@ -15,7 +15,8 @@ import openmc
 from openmc.checkvalue import check_type
 from openmc.mpi import comm
 from .abc import ReactionRateHelper, OperatorResult
-from .openmc_operator import OpenMCOperator, _distribute
+from .openmc_operator import OpenMCOperator
+from .pool import _distribute
 from .microxs import MicroXS
 from .results import Results
 from .helpers import ChainFissionHelper, ConstantFissionYieldHelper, SourceRateHelper
diff --git a/openmc/deplete/openmc_operator.py b/openmc/deplete/openmc_operator.py
index adf1c2eb7..55a7d7246 100644
--- a/openmc/deplete/openmc_operator.py
+++ b/openmc/deplete/openmc_operator.py
@@ -16,33 +16,11 @@ from openmc.mpi import comm
 from .abc import TransportOperator, OperatorResult
 from .atom_number import AtomNumber
 from .reaction_rates import ReactionRates
+from .pool import _distribute
 
 __all__ = ["OpenMCOperator", "OperatorResult"]
 
 
-def _distribute(items):
-    """Distribute items across MPI communicator
-
-    Parameters
-    ----------
-    items : list
-        List of items of distribute
-
-    Returns
-    -------
-    list
-        Items assigned to process that called
-
-    """
-    min_size, extra = divmod(len(items), comm.size)
-    j = 0
-    for i in range(comm.size):
-        chunk_size = min_size + int(i < extra)
-        if comm.rank == i:
-            return items[j:j + chunk_size]
-        j += chunk_size
-
-
 class OpenMCOperator(TransportOperator):
     """Abstract class holding OpenMC-specific functions for running
     depletion calculations.
diff --git a/openmc/deplete/pool.py b/openmc/deplete/pool.py
index fc006a884..1fa5e26ac 100644
--- a/openmc/deplete/pool.py
+++ b/openmc/deplete/pool.py
@@ -6,7 +6,7 @@ from itertools import repeat, starmap
 from multiprocessing import Pool
 from scipy.sparse import bmat
 import numpy as np
-
+from openmc.mpi import comm
 
 # Configurable switch that enables / disables the use of
 # multiprocessing routines during depletion
@@ -16,6 +16,27 @@ USE_MULTIPROCESSING = True
 # calculations
 NUM_PROCESSES = None
 
+def _distribute(items):
+    """Distribute items across MPI communicator
+
+    Parameters
+    ----------
+    items : list
+        List of items of distribute
+
+    Returns
+    -------
+    list
+        Items assigned to process that called
+
+    """
+    min_size, extra = divmod(len(items), comm.size)
+    j = 0
+    for i in range(comm.size):
+        chunk_size = min_size + int(i < extra)
+        if comm.rank == i:
+            return items[j:j + chunk_size]
+        j += chunk_size
 
 def deplete(func, chain, x, rates, dt, matrix_func=None, transfer_rates=None,
             *matrix_args):
@@ -72,45 +93,62 @@ def deplete(func, chain, x, rates, dt, matrix_func=None, transfer_rates=None,
     if transfer_rates is not None:
         # Calculate transfer rate terms as diagonal matrices
         transfers = map(chain.form_rr_term, repeat(transfer_rates),
-                        transfer_rates.burnable_mats)
+                        transfer_rates.local_mats)
         # Subtract transfer rate terms from Bateman matrices
         matrices = [matrix - transfer for (matrix, transfer) in zip(matrices,
                                                                     transfers)]
 
         if len(transfer_rates.index_transfer) > 0:
-            # Calculate transfer rate terms as diagonal matrices
-            transfer_pair = {
-                mat_pair: chain.form_rr_term(transfer_rates, mat_pair)
-                for mat_pair in transfer_rates.index_transfer
-            }
+            # Gather all on comm.rank 0
+            matrices = comm.gather(matrices)
+            x = comm.gather(x)
 
-            # Combine all matrices together in a single matrix of matrices
-            # to be solved in one go
-            n_rows = n_cols = len(transfer_rates.burnable_mats)
-            rows = []
-            for row in range(n_rows):
-                cols = []
-                for col in range(n_cols):
-                    mat_pair = (transfer_rates.burnable_mats[row],
-                                transfer_rates.burnable_mats[col])
-                    if row == col:
-                        # Fill the diagonals with the Bateman matrices
-                        cols.append(matrices[row])
-                    elif mat_pair in transfer_rates.index_transfer:
-                        # Fill the off-diagonals with the transfer pair matrices
-                        cols.append(transfer_pair[mat_pair])
-                    else:
-                        cols.append(None)
+            if comm.rank == 0:
+                # Expand lists
+                matrices = [elm for matrix in matrices for elm in matrix]
+                x = [x_elm for x_mat in x for x_elm in x_mat]
 
-                rows.append(cols)
-            matrix = bmat(rows)
+                # Calculate transfer rate terms as diagonal matrices
+                transfer_pair = {
+                    mat_pair: chain.form_rr_term(transfer_rates, mat_pair)
+                    for mat_pair in transfer_rates.index_transfer
+                }
 
-            # Concatenate vectors of nuclides in one
-            x_multi = np.concatenate([xx for xx in x])
-            x_result = func(matrix, x_multi, dt)
+                # Combine all matrices together in a single matrix of matrices
+                # to be solved in one go
+                n_rows = n_cols = len(transfer_rates.burnable_mats)
+                rows = []
+                for row in range(n_rows):
+                    cols = []
+                    for col in range(n_cols):
+                        mat_pair = (transfer_rates.burnable_mats[row],
+                                    transfer_rates.burnable_mats[col])
+                        if row == col:
+                            # Fill the diagonals with the Bateman matrices
+                            cols.append(matrices[row])
+                        elif mat_pair in transfer_rates.index_transfer:
+                            # Fill the off-diagonals with the transfer pair matrices
+                            cols.append(transfer_pair[mat_pair])
+                        else:
+                            cols.append(None)
 
-            # Split back the nuclide vector result into the original form
-            x_result = np.split(x_result, np.cumsum([len(i) for i in x])[:-1])
+                    rows.append(cols)
+                matrix = bmat(rows)
+
+                # Concatenate vectors of nuclides in one
+                x_multi = np.concatenate([xx for xx in x])
+                x_result = func(matrix, x_multi, dt)
+
+                # Split back the nuclide vector result into the original form
+                x_result = np.split(x_result, np.cumsum([len(i) for i in x])[:-1])
+
+            else:
+                x_result = None
+
+            # Braodcast result to other ranks
+            x_result = comm.bcast(x_result)
+            # Distribute results across MPI
+            x_result = _distribute(x_result)
 
             return x_result
 
diff --git a/openmc/deplete/transfer_rates.py b/openmc/deplete/transfer_rates.py
index c6f0cd94d..fe21d7d6f 100644
--- a/openmc/deplete/transfer_rates.py
+++ b/openmc/deplete/transfer_rates.py
@@ -30,6 +30,8 @@ class TransferRates:
     ----------
     burnable_mats : list of str
         All burnable material IDs.
+    local_mats : list of str
+        All burnable material IDs being managed by a single process
     transfer_rates : dict of str to dict
         Container of transfer rates, elements and destination material
     index_transfer : Set of pair of str
@@ -40,6 +42,7 @@ class TransferRates:
 
         self.materials = model.materials
         self.burnable_mats = operator.burnable_mats
+        self.local_mats = operator.local_mats
 
         #initialize transfer rates container dict
         self.transfer_rates = {mat: {} for mat in self.burnable_mats}

From 96d150a64e7636138bdc60042d97f3d33f5cce38 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 15 Jun 2023 23:03:46 -0500
Subject: [PATCH 1869/2654] Add C++ format check to GitHub Actions (#2554)

---
 .github/workflows/format-check.yml | 25 +++++++++++++++++++++++++
 1 file changed, 25 insertions(+)
 create mode 100644 .github/workflows/format-check.yml

diff --git a/.github/workflows/format-check.yml b/.github/workflows/format-check.yml
new file mode 100644
index 000000000..4914d5e5e
--- /dev/null
+++ b/.github/workflows/format-check.yml
@@ -0,0 +1,25 @@
+name: C++ Format Check
+
+on: pull_request
+
+jobs:
+  cpp-linter:
+    runs-on: ubuntu-latest
+    steps:
+      - uses: actions/checkout@v3
+      - uses: cpp-linter/cpp-linter-action@v2
+        id: linter
+        env:
+          GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }}
+        with:
+          style: file
+          files-changed-only: true
+          tidy-checks: '-*'
+          version: '15' # clang-format version
+          file-annotations: true
+          step-summary: true
+          extensions: 'cpp,h'
+
+      - name: Failure Check
+        if: steps.linter.outputs.checks-failed > 0
+        run: echo "Some files failed the formatting check! See job summary and file annotations for more info" && exit 1

From 0fcb174b2af5c01d7b13aede766f8b7a53295394 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 16 Jun 2023 15:17:33 -0500
Subject: [PATCH 1870/2654] Add support for curvilinear elements when exporting
 cylindrical and spherical meshes to VTK (#2533)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/mesh.py                                |  486 ++--
 .../mesh_to_vtk/cyl-data-actual.vtk           |   41 +
 .../mesh_to_vtk/cyl-data-curvilinear.vtk      |  329 +++
 tests/unit_tests/mesh_to_vtk/cyl-data.vtk     |   41 +
 .../mesh_to_vtk/cylindrical-curvilinear.vtk   |  198 ++
 .../mesh_to_vtk/cylindrical-linear.vtk        |   33 +
 tests/unit_tests/mesh_to_vtk/rectilinear.vtk  |  340 +++
 tests/unit_tests/mesh_to_vtk/regular.vtk      | 2394 +++++++++++++++++
 .../mesh_to_vtk/spherical-curvilinear.vtk     |  210 ++
 .../mesh_to_vtk/spherical-linear.vtk          |   39 +
 tests/unit_tests/mesh_to_vtk/test.py          |  126 +-
 .../test_vtk_dims.py}                         |    2 +-
 12 files changed, 4012 insertions(+), 227 deletions(-)
 create mode 100644 tests/unit_tests/mesh_to_vtk/cyl-data-actual.vtk
 create mode 100644 tests/unit_tests/mesh_to_vtk/cyl-data-curvilinear.vtk
 create mode 100644 tests/unit_tests/mesh_to_vtk/cyl-data.vtk
 create mode 100644 tests/unit_tests/mesh_to_vtk/cylindrical-curvilinear.vtk
 create mode 100644 tests/unit_tests/mesh_to_vtk/cylindrical-linear.vtk
 create mode 100644 tests/unit_tests/mesh_to_vtk/rectilinear.vtk
 create mode 100644 tests/unit_tests/mesh_to_vtk/regular.vtk
 create mode 100644 tests/unit_tests/mesh_to_vtk/spherical-curvilinear.vtk
 create mode 100644 tests/unit_tests/mesh_to_vtk/spherical-linear.vtk
 rename tests/unit_tests/{test_mesh_to_vtk.py => mesh_to_vtk/test_vtk_dims.py} (99%)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index fde9f302d..0a5dff643 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -177,7 +177,65 @@ class StructuredMesh(MeshBase):
             unpacked along the first dimension with xx, yy, zz = mesh.vertices.
 
         """
-        return np.stack(np.meshgrid(*self._grids, indexing='ij'), axis=0)
+        return self._generate_vertices(*self._grids)
+
+    @staticmethod
+    def _generate_vertices(i_grid, j_grid, k_grid):
+        """Returns an array with shape (3, i_grid.size+1, j_grid.size+1, k_grid.size+1)
+           containing the corner vertices of mesh elements.
+        """
+        return np.stack(np.meshgrid(i_grid, j_grid, k_grid, indexing='ij'), axis=0)
+
+    @staticmethod
+    def _generate_edge_midpoints(grids):
+        """Generates the midpoints of mesh element edges for each dimension of the mesh.
+
+        Parameters
+        ----------
+        grids : numpy.ndarray
+            The vertex grids along each dimension of the mesh.
+
+        Returns
+        -------
+        midpoint_grids : list of numpy.ndarray
+            The edge midpoints for the i, j, and k midpoints of each element in
+            i, j, k ordering. The shapes of the resulting grids are
+            [(3, ni-1, nj, nk), (3, ni, nj-1, nk), (3, ni, nj, nk-1)]
+        """
+        # generate a set of edge midpoints for each dimension
+        midpoint_grids = []
+        # generate the element edge midpoints in order s.t.
+        # the epxected element ordering is preserved with respect to the corner vertices
+
+        # each grid is comprised of the mid points for one dimension and the
+        # corner vertices of the other two
+        for dims in ((0, 1, 2), (1, 0, 2), (2, 0, 1)):
+            # compute the midpoints along the first dimension
+            midpoints = grids[dims[0]][:-1] + 0.5 * np.diff(grids[dims[0]])
+
+            coords = (midpoints, grids[dims[1]], grids[dims[2]])
+
+            i_grid, j_grid, k_grid = [coords[dims.index(i)] for i in range(3)]
+
+            # re-use the generate vertices method to create the full mesh grid
+            # transpose to get (i, j, k) ordering of the gridpoints
+            midpoint_grid = StructuredMesh._generate_vertices(i_grid, j_grid, k_grid)
+            midpoint_grids.append(midpoint_grid)
+
+        return midpoint_grids
+
+    @property
+    def midpoint_vertices(self):
+        """Create vertices that lie on the midpoint of element edges
+        """
+        # generate edge midpoints needed for curvilinear element definition
+        midpoint_vertices = self._generate_edge_midpoints(self._grids)
+
+        # convert each of the midpoint grids to cartesian coordinates
+        for vertices in midpoint_vertices:
+            self._convert_to_cartesian(vertices, self.origin)
+
+        return midpoint_vertices
 
     @property
     def centroids(self):
@@ -202,13 +260,15 @@ class StructuredMesh(MeshBase):
     def num_mesh_cells(self):
         return np.prod(self.dimension)
 
-    def write_data_to_vtk(self, points, filename, datasets, volume_normalization=True):
+    def write_data_to_vtk(self,
+                          filename,
+                          datasets=None,
+                          volume_normalization=True,
+                          curvilinear=False):
         """Creates a VTK object of the mesh
 
         Parameters
         ----------
-        points : list or np.array
-            List of (X,Y,Z) tuples.
         filename : str
             Name of the VTK file to write.
         datasets : dict
@@ -217,6 +277,9 @@ class StructuredMesh(MeshBase):
         volume_normalization : bool, optional
             Whether or not to normalize the data by
             the volume of the mesh elements.
+        curvilinear : bool
+            Whether or not to write curvilinear elements. Only applies to
+            ``SphericalMesh`` and ``CylindricalMesh``.
 
         Raises
         ------
@@ -225,14 +288,180 @@ class StructuredMesh(MeshBase):
 
         Returns
         -------
-        vtk.vtkStructuredGrid
-            the VTK object
+        vtk.StructuredGrid or vtk.UnstructuredGrid
+            a VTK grid object representing the mesh
         """
-
         import vtk
         from vtk.util import numpy_support as nps
 
         # check that the data sets are appropriately sized
+        if datasets is not None:
+            self._check_vtk_datasets(datasets)
+
+        # write linear elements using a structured grid
+        if not curvilinear or isinstance(self, (RegularMesh, RectilinearMesh)):
+            vtk_grid = self._create_vtk_structured_grid()
+            writer = vtk.vtkStructuredGridWriter()
+        # write curvilinear elements using an unstructured grid
+        else:
+            vtk_grid = self._create_vtk_unstructured_grid()
+            writer = vtk.vtkUnstructuredGridWriter()
+
+        if datasets is not None:
+            # maintain a list of the datasets as added
+            # to the VTK arrays to ensure they persist
+            # in memory until the file is written
+            datasets_out = []
+            for label, dataset in datasets.items():
+                dataset = np.asarray(dataset).flatten()
+                datasets_out.append(dataset)
+
+                if volume_normalization:
+                    dataset /= self.volumes.T.flatten()
+
+                dataset_array = vtk.vtkDoubleArray()
+                dataset_array.SetName(label)
+                dataset_array.SetArray(nps.numpy_to_vtk(dataset),
+                                    dataset.size,
+                                    True)
+                vtk_grid.GetCellData().AddArray(dataset_array)
+
+        writer.SetFileName(str(filename))
+        writer.SetInputData(vtk_grid)
+        writer.Write()
+
+        return vtk_grid
+
+    def _create_vtk_structured_grid(self):
+        """Create a structured grid
+
+        Returns
+        -------
+        vtk.vtkStructuredGrid
+            a VTK structured grid object representing the mesh
+        """
+        import vtk
+        from vtk.util import numpy_support as nps
+
+        vertices = self.cartesian_vertices.T.reshape(-1, 3)
+
+        vtkPts = vtk.vtkPoints()
+        vtkPts.SetData(nps.numpy_to_vtk(vertices, deep=True))
+        vtk_grid = vtk.vtkStructuredGrid()
+        vtk_grid.SetPoints(vtkPts)
+        vtk_grid.SetDimensions(*[dim + 1 for dim in self.dimension])
+
+        return vtk_grid
+
+    def _create_vtk_unstructured_grid(self):
+        """Create an unstructured grid of curvilinear elements
+           representing the mesh
+
+        Returns
+        -------
+        vtk.vtkUnstructuredGrid
+            a VTK unstructured grid object representing the mesh
+        """
+        import vtk
+        from vtk.util import numpy_support as nps
+
+        corner_vertices = self.cartesian_vertices.T.reshape(-1, 3)
+
+        vtkPts = vtk.vtkPoints()
+        vtk_grid = vtk.vtkUnstructuredGrid()
+        vtk_grid.SetPoints(vtkPts)
+        # add corner vertices to the point set for the unstructured grid
+        # only insert unique points, we'll get their IDs in the point set to
+        # define element connectivity later
+        vtkPts.SetData(nps.numpy_to_vtk(np.unique(corner_vertices, axis=0), deep=True))
+
+        # create a locator to assist with duplicate points
+        locator = vtk.vtkPointLocator()
+        locator.SetDataSet(vtk_grid)
+        locator.AutomaticOn() # autmoatically adds points to locator
+        locator.InitPointInsertion(vtkPts, vtkPts.GetBounds())
+        locator.BuildLocator()
+
+        # this function is used to add new points to the unstructured
+        # grid. It will return an existing point ID if the point is alread present
+        def _insert_point(pnt):
+            result = locator.IsInsertedPoint(pnt)
+            if result == -1:
+                point_id = vtkPts.InsertNextPoint(pnt)
+                locator.InsertPoint(point_id, pnt)
+                return point_id
+            else:
+                return result
+
+        ### Add all points to the unstructured grid, maintaining a flat list of IDs as we go ###
+
+        # flat array storind point IDs for a given vertex
+        # in the grid
+        point_ids = []
+
+        # add element corner vertices to array
+        for pnt in corner_vertices:
+            point_ids.append(_insert_point(pnt))
+
+        # get edge midpoints and add them to the
+        # list of point IDs
+        midpoint_vertices = self.midpoint_vertices
+        for edge_grid in midpoint_vertices:
+            for pnt in edge_grid.T.reshape(-1, 3):
+                point_ids.append(_insert_point(pnt))
+
+        # determine how many elements in each dimension
+        # and how many points in each grid
+        n_elem = np.asarray(self.dimension)
+        n_pnts = n_elem + 1
+
+        # create hexes and set points for corner
+        # vertices
+        for i, j, k in self.indices:
+            # handle indices indexed from one
+            i -= 1
+            j -= 1
+            k -= 1
+
+            # create a new vtk hex
+            hex = vtk.vtkQuadraticHexahedron()
+
+            # set connectivity the hex corners
+            for n, (di, dj, dk) in enumerate(_HEX_VERTEX_CONN):
+                # compute flat index into the point ID list based on i, j, k
+                # of the vertex
+                flat_idx = np.ravel_multi_index((i+di, j+dj, k+dk), n_pnts, order='F')
+                # set corner vertices
+                hex.GetPointIds().SetId(n, point_ids[flat_idx])
+
+            # set connectivity of the hex midpoints
+            n_midpoint_vertices = [v.size // 3 for v in midpoint_vertices]
+            for n, (dim, (di, dj, dk)) in enumerate(_HEX_MIDPOINT_CONN):
+                # initial offset for corner vertices and midpoint dimension
+                flat_idx = corner_vertices.shape[0] + sum(n_midpoint_vertices[:dim])
+                # generate a flat index into the table of point IDs
+                midpoint_shape = midpoint_vertices[dim].shape[1:]
+                flat_idx += np.ravel_multi_index((i+di, j+dj, k+dk),
+                                                 midpoint_shape,
+                                                 order='F')
+                # set hex midpoint connectivity
+                hex.GetPointIds().SetId(_N_HEX_VERTICES + n, point_ids[flat_idx])
+
+            # add the hex to the grid
+            vtk_grid.InsertNextCell(hex.GetCellType(), hex.GetPointIds())
+
+        return vtk_grid
+
+    def _check_vtk_datasets(self, datasets):
+        """Perform some basic checks that the datasets are valid for this mesh
+
+        Parameters
+        ----------
+        datasets : dict
+            Dictionary whose keys are the data labels
+            and values are the data sets.
+
+        """
         for label, dataset in datasets.items():
             errmsg = (
                 f"The size of the dataset '{label}' ({dataset.size}) should be"
@@ -244,44 +473,7 @@ class StructuredMesh(MeshBase):
             else:
                 if len(dataset) == self.num_mesh_cells:
                     raise ValueError(errmsg)
-            cv.check_type('label', label, str)
-
-        vtk_grid = vtk.vtkStructuredGrid()
-
-        vtk_grid.SetDimensions(*[dim + 1 for dim in self.dimension])
-
-        vtkPts = vtk.vtkPoints()
-        vtkPts.SetData(nps.numpy_to_vtk(points, deep=True))
-        vtk_grid.SetPoints(vtkPts)
-
-        # create VTK arrays for each of
-        # the data sets
-
-        # maintain a list of the datasets as added
-        # to the VTK arrays to ensure they persist
-        # in memory until the file is written
-        datasets_out = []
-        for label, dataset in datasets.items():
-            dataset = np.asarray(dataset).flatten()
-            datasets_out.append(dataset)
-
-            if volume_normalization:
-                dataset /= self.volumes.T.flatten()
-
-            dataset_array = vtk.vtkDoubleArray()
-            dataset_array.SetName(label)
-            dataset_array.SetArray(nps.numpy_to_vtk(dataset),
-                           dataset.size,
-                           True)
-            vtk_grid.GetCellData().AddArray(dataset_array)
-
-        # write the .vtk file
-        writer = vtk.vtkStructuredGridWriter()
-        writer.SetFileName(str(filename))
-        writer.SetInputData(vtk_grid)
-        writer.Write()
-
-        return vtk_grid
+            cv.check_type('data label', label, str)
 
 
 class RegularMesh(StructuredMesh):
@@ -363,6 +555,12 @@ class RegularMesh(StructuredMesh):
                 dims =  self._dimension
                 return [(u - l) / d for u, l, d in zip(us, ls, dims)]
 
+    @property
+    def cartesian_vertices(self):
+        """Returns vertices in cartesian coordiantes. Identical to ``vertices`` for RegularMesh and RectilinearMesh
+        """
+        return self.vertices
+
     @property
     def volumes(self):
         """Return Volumes for every mesh cell
@@ -763,42 +961,6 @@ class RegularMesh(StructuredMesh):
 
         return root_cell, cells
 
-    def write_data_to_vtk(self, filename, datasets, volume_normalization=True):
-        """Creates a VTK object of the mesh
-
-        Parameters
-        ----------
-        filename : str or pathlib.Path
-            Name of the VTK file to write.
-        datasets : dict
-            Dictionary whose keys are the data labels
-            and values are the data sets.
-        volume_normalization : bool, optional
-            Whether or not to normalize the data by
-            the volume of the mesh elements.
-            Defaults to True.
-
-        Returns
-        -------
-        vtk.vtkStructuredGrid
-            the VTK object
-        """
-
-        ll, ur = self.lower_left, self.upper_right
-        x_vals = np.linspace(ll[0], ur[0], num=self.dimension[0] + 1)
-        y_vals = np.linspace(ll[1], ur[1], num=self.dimension[1] + 1)
-        z_vals = np.linspace(ll[2], ur[2], num=self.dimension[2] + 1)
-
-        # create points
-        pts_cartesian = np.array([[x, y, z] for z in z_vals for y in y_vals for x in x_vals])
-
-        return super().write_data_to_vtk(
-            points=pts_cartesian,
-            filename=filename,
-            datasets=datasets,
-            volume_normalization=volume_normalization
-        )
-
 def Mesh(*args, **kwargs):
     warnings.warn("Mesh has been renamed RegularMesh. Future versions of "
                   "OpenMC will not accept the name Mesh.")
@@ -870,6 +1032,12 @@ class RectilinearMesh(StructuredMesh):
     def _grids(self):
         return (self.x_grid, self.y_grid, self.z_grid)
 
+    @property
+    def cartesian_vertices(self):
+        """Returns vertices in cartesian coordiantes. Identical to ``vertices`` for RegularMesh and RectilinearMesh
+        """
+        return self.vertices
+
     @property
     def volumes(self):
         """Return Volumes for every mesh cell
@@ -997,36 +1165,6 @@ class RectilinearMesh(StructuredMesh):
 
         return element
 
-    def write_data_to_vtk(self, filename, datasets, volume_normalization=True):
-        """Creates a VTK object of the mesh
-
-        Parameters
-        ----------
-        filename : str or pathlib.Path
-            Name of the VTK file to write.
-        datasets : dict
-            Dictionary whose keys are the data labels
-            and values are the data sets.
-        volume_normalization : bool, optional
-            Whether or not to normalize the data by
-            the volume of the mesh elements.
-            Defaults to True.
-
-        Returns
-        -------
-        vtk.vtkStructuredGrid
-            the VTK object
-        """
-        # create points
-        pts_cartesian = self.vertices.T.reshape(-1, 3)
-
-        return super().write_data_to_vtk(
-            points=pts_cartesian,
-            filename=filename,
-            datasets=datasets,
-            volume_normalization=volume_normalization
-        )
-
 
 class CylindricalMesh(StructuredMesh):
     """A 3D cylindrical mesh
@@ -1310,41 +1448,22 @@ class CylindricalMesh(StructuredMesh):
 
         return np.multiply.outer(np.outer(V_r, V_p), V_z)
 
-    def write_data_to_vtk(self, filename, datasets, volume_normalization=True):
-        """Creates a VTK object of the mesh
+    @property
+    def cartesian_vertices(self):
+        return self._convert_to_cartesian(self.vertices, self.origin)
 
-        Parameters
-        ----------
-        filename : str or pathlib.Path
-            Name of the VTK file to write.
-        datasets : dict
-            Dictionary whose keys are the data labels
-            and values are the data sets.
-        volume_normalization : bool, optional
-            Whether or not to normalize the data by
-            the volume of the mesh elements.
-            Defaults to True.
-
-        Returns
-        -------
-        vtk.vtkStructuredGrid
-            the VTK object
+    @staticmethod
+    def _convert_to_cartesian(arr, origin):
+        """Converts an array with xyz values in the first dimension (shape (3, ...))
+        to Cartesian coordinates.
         """
-        # create points
-        pts_cylindrical = self.vertices.T.reshape(-1, 3)
-        pts_cartesian = np.copy(pts_cylindrical)
+        x = arr[0, ...] * np.cos(arr[1, ...]) + origin[0]
+        y = arr[0, ...] * np.sin(arr[1, ...]) + origin[1]
+        arr[0, ...] = x
+        arr[1, ...] = y
+        arr[2, ...] += origin[2]
+        return arr
 
-        r, phi = pts_cylindrical[:, 0], pts_cylindrical[:, 1]
-        pts_cartesian[:, 0] = r * np.cos(phi) + self.origin[0]
-        pts_cartesian[:, 1] = r * np.sin(phi) + self.origin[1]
-        pts_cartesian[:, 2] += self.origin[2]
-
-        return super().write_data_to_vtk(
-            points=pts_cartesian,
-            filename=filename,
-            datasets=datasets,
-            volume_normalization=volume_normalization
-        )
 
 class SphericalMesh(StructuredMesh):
     """A 3D spherical mesh
@@ -1532,7 +1651,6 @@ class SphericalMesh(StructuredMesh):
             Spherical mesh object
 
         """
-
         mesh_id = int(get_text(elem, 'id'))
         mesh = cls(mesh_id)
         mesh.r_grid = [float(x) for x in get_text(elem, "r_grid").split()]
@@ -1559,42 +1677,23 @@ class SphericalMesh(StructuredMesh):
 
         return np.multiply.outer(np.outer(V_r, V_t), V_p)
 
-    def write_data_to_vtk(self, filename, datasets, volume_normalization=True):
-        """Creates a VTK object of the mesh
+    @property
+    def cartesian_vertices(self):
+        return self._convert_to_cartesian(self.vertices, self.origin)
 
-        Parameters
-        ----------
-        filename : str or pathlib.Path
-            Name of the VTK file to write.
-        datasets : dict
-            Dictionary whose keys are the data labels
-            and values are the data sets.
-        volume_normalization : bool, optional
-            Whether or not to normalize the data by
-            the volume of the mesh elements.
-            Defaults to True.
-
-        Returns
-        -------
-        vtk.vtkStructuredGrid
-            the VTK object
+    @staticmethod
+    def _convert_to_cartesian(arr, origin):
+        """Converts an array with xyz values in the first dimension (shape (3, ...))
+        to Cartesian coordinates.
         """
-        # create points
-        pts_spherical = self.vertices.T.reshape(-1, 3)
-        pts_cartesian = np.copy(pts_spherical)
-
-        r, theta, phi = pts_spherical[:, 0], pts_spherical[:, 1], pts_spherical[:, 2]
-
-        pts_cartesian[:, 0] = r * np.sin(theta) * np.cos(phi) + self.origin[0]
-        pts_cartesian[:, 1] = r * np.sin(theta) * np.sin(phi) + self.origin[1]
-        pts_cartesian[:, 2] = r * np.cos(theta) + self.origin[2]
-
-        return super().write_data_to_vtk(
-            points=pts_cartesian,
-            filename=filename,
-            datasets=datasets,
-            volume_normalization=volume_normalization
-        )
+        r_xy = arr[0, ...] * np.sin(arr[1, ...])
+        x = r_xy * np.cos(arr[2, ...])
+        y = r_xy * np.sin(arr[2, ...])
+        z = arr[0, ...] * np.cos(arr[1, ...])
+        arr[0, ...] = x + origin[0]
+        arr[1, ...] = y + origin[1]
+        arr[2, ...] = z + origin[2]
+        return arr
 
 
 class UnstructuredMesh(MeshBase):
@@ -2005,3 +2104,34 @@ def _read_meshes(elem):
         out[mesh.id] = mesh
 
     return out
+
+
+# hexahedron element connectivity
+# lower-k connectivity offsets
+_HEX_VERTEX_CONN = ((0, 0, 0),
+                    (1, 0, 0),
+                    (1, 1, 0),
+                    (0, 1, 0))
+# upper-k connectivity offsets
+_HEX_VERTEX_CONN += ((0, 0, 1),
+                     (1, 0, 1),
+                     (1, 1, 1),
+                     (0, 1, 1))
+
+_N_HEX_VERTICES = 8
+
+# lower-k connectivity offsets
+_HEX_MIDPOINT_CONN = ((0, (0, 0, 0)),
+                      (1, (1, 0, 0)),
+                      (0, (0, 1, 0)),
+                      (1, (0, 0, 0)))
+# upper-k connectivity offsets
+_HEX_MIDPOINT_CONN += ((0, (0, 0, 1)),
+                       (1, (1, 0, 1)),
+                       (0, (0, 1, 1)),
+                       (1, (0, 0, 1)))
+# mid-plane k connectivity
+_HEX_MIDPOINT_CONN += ((2, (0, 0, 0)),
+                       (2, (1, 0, 0)),
+                       (2, (1, 1, 0)),
+                       (2, (0, 1, 0)))
diff --git a/tests/unit_tests/mesh_to_vtk/cyl-data-actual.vtk b/tests/unit_tests/mesh_to_vtk/cyl-data-actual.vtk
new file mode 100644
index 000000000..801a02b3e
--- /dev/null
+++ b/tests/unit_tests/mesh_to_vtk/cyl-data-actual.vtk
@@ -0,0 +1,41 @@
+# vtk DataFile Version 5.1
+vtk output
+ASCII
+DATASET STRUCTURED_GRID
+DIMENSIONS 5 4 4
+POINTS 80 double
+10 10 -10 11.25 10 -10 12.5 10 -10 
+13.75 10 -10 15 10 -10 10 10 -10 
+9.375 11.082531755 -10 8.75 12.165063509 -10 8.125 13.247595264 -10 
+7.5 14.330127019 -10 10 10 -10 9.375 8.9174682453 -10 
+8.75 7.8349364905 -10 8.125 6.7524047358 -10 7.5 5.6698729811 -10 
+10 10 -10 11.25 10 -10 12.5 10 -10 
+13.75 10 -10 15 10 -10 10 10 -9.3333333333 
+11.25 10 -9.3333333333 12.5 10 -9.3333333333 13.75 10 -9.3333333333 
+15 10 -9.3333333333 10 10 -9.3333333333 9.375 11.082531755 -9.3333333333 
+8.75 12.165063509 -9.3333333333 8.125 13.247595264 -9.3333333333 7.5 14.330127019 -9.3333333333 
+10 10 -9.3333333333 9.375 8.9174682453 -9.3333333333 8.75 7.8349364905 -9.3333333333 
+8.125 6.7524047358 -9.3333333333 7.5 5.6698729811 -9.3333333333 10 10 -9.3333333333 
+11.25 10 -9.3333333333 12.5 10 -9.3333333333 13.75 10 -9.3333333333 
+15 10 -9.3333333333 10 10 -8.6666666667 11.25 10 -8.6666666667 
+12.5 10 -8.6666666667 13.75 10 -8.6666666667 15 10 -8.6666666667 
+10 10 -8.6666666667 9.375 11.082531755 -8.6666666667 8.75 12.165063509 -8.6666666667 
+8.125 13.247595264 -8.6666666667 7.5 14.330127019 -8.6666666667 10 10 -8.6666666667 
+9.375 8.9174682453 -8.6666666667 8.75 7.8349364905 -8.6666666667 8.125 6.7524047358 -8.6666666667 
+7.5 5.6698729811 -8.6666666667 10 10 -8.6666666667 11.25 10 -8.6666666667 
+12.5 10 -8.6666666667 13.75 10 -8.6666666667 15 10 -8.6666666667 
+10 10 -8 11.25 10 -8 12.5 10 -8 
+13.75 10 -8 15 10 -8 10 10 -8 
+9.375 11.082531755 -8 8.75 12.165063509 -8 8.125 13.247595264 -8 
+7.5 14.330127019 -8 10 10 -8 9.375 8.9174682453 -8 
+8.75 7.8349364905 -8 8.125 6.7524047358 -8 7.5 5.6698729811 -8 
+10 10 -8 11.25 10 -8 12.5 10 -8 
+13.75 10 -8 15 10 -8 
+CELL_DATA 36
+FIELD FieldData 1
+ascending_data 1 36 double
+0 100 200 300 400 500 600 700 800 
+900 1000 1100 1200 1300 1400 1500 1600 1700 
+1800 1900 2000 2100 2200 2300 2400 2500 2600 
+2700 2800 2900 3000 3100 3200 3300 3400 3500 
+
diff --git a/tests/unit_tests/mesh_to_vtk/cyl-data-curvilinear.vtk b/tests/unit_tests/mesh_to_vtk/cyl-data-curvilinear.vtk
new file mode 100644
index 000000000..332d37db0
--- /dev/null
+++ b/tests/unit_tests/mesh_to_vtk/cyl-data-curvilinear.vtk
@@ -0,0 +1,329 @@
+# vtk DataFile Version 5.1
+vtk output
+ASCII
+DATASET UNSTRUCTURED_GRID
+POINTS 323 double
+-4.0450849719 -2.9389262615 0 -4.0450849719 -2.9389262615 0.66666666667 -4.0450849719 -2.9389262615 1.3333333333 
+-4.0450849719 -2.9389262615 2 -4.0450849719 2.9389262615 0 -4.0450849719 2.9389262615 0.66666666667 
+-4.0450849719 2.9389262615 1.3333333333 -4.0450849719 2.9389262615 2 -3.0338137289 -2.2041946961 0 
+-3.0338137289 -2.2041946961 0.66666666667 -3.0338137289 -2.2041946961 1.3333333333 -3.0338137289 -2.2041946961 2 
+-3.0338137289 2.2041946961 0 -3.0338137289 2.2041946961 0.66666666667 -3.0338137289 2.2041946961 1.3333333333 
+-3.0338137289 2.2041946961 2 -2.0225424859 -1.4694631307 0 -2.0225424859 -1.4694631307 0.66666666667 
+-2.0225424859 -1.4694631307 1.3333333333 -2.0225424859 -1.4694631307 2 -2.0225424859 1.4694631307 0 
+-2.0225424859 1.4694631307 0.66666666667 -2.0225424859 1.4694631307 1.3333333333 -2.0225424859 1.4694631307 2 
+-1.011271243 -0.73473156537 0 -1.011271243 -0.73473156537 0.66666666667 -1.011271243 -0.73473156537 1.3333333333 
+-1.011271243 -0.73473156537 2 -1.011271243 0.73473156537 0 -1.011271243 0.73473156537 0.66666666667 
+-1.011271243 0.73473156537 1.3333333333 -1.011271243 0.73473156537 2 0 0 0 
+0 0 0.66666666667 0 0 1.3333333333 0 0 2 
+0.38627124297 -1.1888206454 0 0.38627124297 -1.1888206454 0.66666666667 0.38627124297 -1.1888206454 1.3333333333 
+0.38627124297 -1.1888206454 2 0.38627124297 1.1888206454 0 0.38627124297 1.1888206454 0.66666666667 
+0.38627124297 1.1888206454 1.3333333333 0.38627124297 1.1888206454 2 0.77254248594 -2.3776412907 0 
+0.77254248594 -2.3776412907 0.66666666667 0.77254248594 -2.3776412907 1.3333333333 0.77254248594 -2.3776412907 2 
+0.77254248594 2.3776412907 0 0.77254248594 2.3776412907 0.66666666667 0.77254248594 2.3776412907 1.3333333333 
+0.77254248594 2.3776412907 2 1.1588137289 -3.5664619361 0 1.1588137289 -3.5664619361 0.66666666667 
+1.1588137289 -3.5664619361 1.3333333333 1.1588137289 -3.5664619361 2 1.1588137289 3.5664619361 0 
+1.1588137289 3.5664619361 0.66666666667 1.1588137289 3.5664619361 1.3333333333 1.1588137289 3.5664619361 2 
+1.25 -3.0616169979e-16 0 1.25 -3.0616169979e-16 0.66666666667 1.25 -3.0616169979e-16 1.3333333333 
+1.25 -3.0616169979e-16 2 1.25 0 0 1.25 0 0.66666666667 
+1.25 0 1.3333333333 1.25 0 2 1.5450849719 -4.7552825815 0 
+1.5450849719 -4.7552825815 0.66666666667 1.5450849719 -4.7552825815 1.3333333333 1.5450849719 -4.7552825815 2 
+1.5450849719 4.7552825815 0 1.5450849719 4.7552825815 0.66666666667 1.5450849719 4.7552825815 1.3333333333 
+1.5450849719 4.7552825815 2 2.5 -6.1232339957e-16 0 2.5 -6.1232339957e-16 0.66666666667 
+2.5 -6.1232339957e-16 1.3333333333 2.5 -6.1232339957e-16 2 2.5 0 0 
+2.5 0 0.66666666667 2.5 0 1.3333333333 2.5 0 2 
+3.75 -9.1848509936e-16 0 3.75 -9.1848509936e-16 0.66666666667 3.75 -9.1848509936e-16 1.3333333333 
+3.75 -9.1848509936e-16 2 3.75 0 0 3.75 0 0.66666666667 
+3.75 0 1.3333333333 3.75 0 2 5 -1.2246467991e-15 0 
+5 -1.2246467991e-15 0.66666666667 5 -1.2246467991e-15 1.3333333333 5 -1.2246467991e-15 2 
+5 0 0 5 0 0.66666666667 5 0 1.3333333333 
+5 0 2 0.625 0 0 1.875 0 0 
+3.125 0 0 4.375 0 0 0.19313562148 0.59441032268 0 
+0.57940686445 1.7832309681 0 0.96567810742 2.9720516134 0 1.3519493504 4.1608722588 0 
+-0.50563562148 0.36736578268 0 -1.5169068645 1.102097348 0 -2.5281781074 1.8368289134 0 
+-3.5394493504 2.5715604788 0 -0.50563562148 -0.36736578268 0 -1.5169068645 -1.102097348 0 
+-2.5281781074 -1.8368289134 0 -3.5394493504 -2.5715604788 0 0.19313562148 -0.59441032268 0 
+0.57940686445 -1.7832309681 0 0.96567810742 -2.9720516134 0 1.3519493504 -4.1608722588 0 
+0.625 0 0.66666666667 1.875 0 0.66666666667 3.125 0 0.66666666667 
+4.375 0 0.66666666667 0.19313562148 0.59441032268 0.66666666667 0.57940686445 1.7832309681 0.66666666667 
+0.96567810742 2.9720516134 0.66666666667 1.3519493504 4.1608722588 0.66666666667 -0.50563562148 0.36736578268 0.66666666667 
+-1.5169068645 1.102097348 0.66666666667 -2.5281781074 1.8368289134 0.66666666667 -3.5394493504 2.5715604788 0.66666666667 
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diff --git a/tests/unit_tests/mesh_to_vtk/cyl-data.vtk b/tests/unit_tests/mesh_to_vtk/cyl-data.vtk
new file mode 100644
index 000000000..801a02b3e
--- /dev/null
+++ b/tests/unit_tests/mesh_to_vtk/cyl-data.vtk
@@ -0,0 +1,41 @@
+# vtk DataFile Version 5.1
+vtk output
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+DIMENSIONS 5 4 4
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diff --git a/tests/unit_tests/mesh_to_vtk/cylindrical-curvilinear.vtk b/tests/unit_tests/mesh_to_vtk/cylindrical-curvilinear.vtk
new file mode 100644
index 000000000..24bdd7f14
--- /dev/null
+++ b/tests/unit_tests/mesh_to_vtk/cylindrical-curvilinear.vtk
@@ -0,0 +1,198 @@
+# vtk DataFile Version 5.1
+vtk output
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diff --git a/tests/unit_tests/mesh_to_vtk/cylindrical-linear.vtk b/tests/unit_tests/mesh_to_vtk/cylindrical-linear.vtk
new file mode 100644
index 000000000..33d1ce497
--- /dev/null
+++ b/tests/unit_tests/mesh_to_vtk/cylindrical-linear.vtk
@@ -0,0 +1,33 @@
+# vtk DataFile Version 5.1
+vtk output
+ASCII
+DATASET STRUCTURED_GRID
+DIMENSIONS 5 4 4
+POINTS 80 double
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+13.75 10 -10 15 10 -10 10 10 -10 
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diff --git a/tests/unit_tests/mesh_to_vtk/rectilinear.vtk b/tests/unit_tests/mesh_to_vtk/rectilinear.vtk
new file mode 100644
index 000000000..71826392e
--- /dev/null
+++ b/tests/unit_tests/mesh_to_vtk/rectilinear.vtk
@@ -0,0 +1,340 @@
+# vtk DataFile Version 5.1
+vtk output
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+DIMENSIONS 5 10 20
+POINTS 1000 double
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diff --git a/tests/unit_tests/mesh_to_vtk/regular.vtk b/tests/unit_tests/mesh_to_vtk/regular.vtk
new file mode 100644
index 000000000..8f8aca5a6
--- /dev/null
+++ b/tests/unit_tests/mesh_to_vtk/regular.vtk
@@ -0,0 +1,2394 @@
+# vtk DataFile Version 5.1
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diff --git a/tests/unit_tests/mesh_to_vtk/spherical-curvilinear.vtk b/tests/unit_tests/mesh_to_vtk/spherical-curvilinear.vtk
new file mode 100644
index 000000000..2308432ee
--- /dev/null
+++ b/tests/unit_tests/mesh_to_vtk/spherical-curvilinear.vtk
@@ -0,0 +1,210 @@
+# vtk DataFile Version 5.1
+vtk output
+ASCII
+DATASET UNSTRUCTURED_GRID
+POINTS 175 double
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+14.50484434 7.8305813044 -10 
+CELLS 43 840
+OFFSETS vtktypeint64
+0 20 40 60 80 100 120 140 160 
+180 200 220 240 260 280 300 320 340 
+360 380 400 420 440 460 480 500 520 
+540 560 580 600 620 640 660 680 700 
+720 740 760 780 800 820 840 
+CONNECTIVITY vtktypeint64
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+50 94 52 93 169 170 172 171 24 
+30 32 24 24 36 37 24 87 131 
+89 24 51 95 53 24 24 171 173 
+24 30 39 41 32 36 43 45 37 
+88 132 90 131 52 96 54 95 171 
+172 174 173 
+CELL_TYPES 42
+25
+25
+25
+25
+25
+25
+25
+25
+25
+25
+25
+25
+25
+25
+25
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diff --git a/tests/unit_tests/mesh_to_vtk/spherical-linear.vtk b/tests/unit_tests/mesh_to_vtk/spherical-linear.vtk
new file mode 100644
index 000000000..3dff18a08
--- /dev/null
+++ b/tests/unit_tests/mesh_to_vtk/spherical-linear.vtk
@@ -0,0 +1,39 @@
+# vtk DataFile Version 5.1
+vtk output
+ASCII
+DATASET STRUCTURED_GRID
+DIMENSIONS 3 4 8
+POINTS 96 double
+10 10 -10 10 10 -7.5 10 10 -5 
+10 10 -10 11.25 10 -7.8349364905 12.5 10 -5.6698729811 
+10 10 -10 12.165063509 10 -8.75 14.330127019 10 -7.5 
+10 10 -10 12.5 10 -10 15 10 -10 
+10 10 -10 10 10 -7.5 10 10 -5 
+10 10 -10 10.779362252 10.977289353 -7.8349364905 11.558724505 11.954578706 -5.6698729811 
+10 10 -10 11.349895019 11.692714813 -8.75 12.699790037 13.385429626 -7.5 
+10 10 -10 11.558724505 11.954578706 -10 13.117449009 13.909157412 -10 
+10 10 -10 10 10 -7.5 10 10 -5 
+10 10 -10 9.7218488326 11.21865989 -7.8349364905 9.4436976651 12.43731978 -5.6698729811 
+10 10 -10 9.5182280458 12.110780847 -8.75 9.0364560916 14.221561694 -7.5 
+10 10 -10 9.4436976651 12.43731978 -10 8.8873953302 14.874639561 -10 
+10 10 -10 10 10 -7.5 10 10 -5 
+10 10 -10 8.8737889151 10.542354674 -7.8349364905 7.7475778302 11.084709348 -5.6698729811 
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+10 10 -10 7.7475778302 11.084709348 -10 5.4951556605 12.169418696 -10 
+10 10 -10 10 10 -7.5 10 10 -5 
+10 10 -10 8.8737889151 9.4576453261 -7.8349364905 7.7475778302 8.9152906522 -5.6698729811 
+10 10 -10 8.0493451809 9.0606141491 -8.75 6.0986903619 8.1212282982 -7.5 
+10 10 -10 7.7475778302 8.9152906522 -10 5.4951556605 7.8305813044 -10 
+10 10 -10 10 10 -7.5 10 10 -5 
+10 10 -10 9.7218488326 8.7813401098 -7.8349364905 9.4436976651 7.5626802195 -5.6698729811 
+10 10 -10 9.5182280458 7.889219153 -8.75 9.0364560916 5.778438306 -7.5 
+10 10 -10 9.4436976651 7.5626802195 -10 8.8873953302 5.1253604391 -10 
+10 10 -10 10 10 -7.5 10 10 -5 
+10 10 -10 10.779362252 9.0227106469 -7.8349364905 11.558724505 8.0454212938 -5.6698729811 
+10 10 -10 11.349895019 8.3072851868 -8.75 12.699790037 6.6145703735 -7.5 
+10 10 -10 11.558724505 8.0454212938 -10 13.117449009 6.0908425877 -10 
+10 10 -10 10 10 -7.5 10 10 -5 
+10 10 -10 11.25 10 -7.8349364905 12.5 10 -5.6698729811 
+10 10 -10 12.165063509 10 -8.75 14.330127019 10 -7.5 
+10 10 -10 12.5 10 -10 15 10 -10 
+
diff --git a/tests/unit_tests/mesh_to_vtk/test.py b/tests/unit_tests/mesh_to_vtk/test.py
index 5f6cd6a41..36928676c 100644
--- a/tests/unit_tests/mesh_to_vtk/test.py
+++ b/tests/unit_tests/mesh_to_vtk/test.py
@@ -1,69 +1,99 @@
+import difflib
 import filecmp
-from itertools import product
+import numpy as np
 from pathlib import Path
 
-import numpy as np
-
 import openmc
-import openmc.lib
 import pytest
 
+from tests.regression_tests import config
+
 pytest.importorskip('vtk')
 
+def full_path(f):
+    return Path(__file__).parent.absolute() / f
 
-def ids_func(param):
-    return f"{param['library']}_{param['elem_type']}"
+def diff_file(file1, file2):
+    with open(file1) as fh:
+        f1_text = fh.readlines()
+    with open(file2) as fh:
+        f2_text = fh.readlines()
+    diff_lines = difflib.unified_diff(f1_text, f2_text)
+    return ''.join(diff_lines)
 
-test_params = (['libmesh', 'moab'],
-               ['tets', 'hexes'])
+# test meshes
+reg_mesh = openmc.RegularMesh()
+reg_mesh.lower_left = (0, 0, 0)
+reg_mesh.upper_right = (20, 50, 50)
+reg_mesh.dimension = (10, 20, 30)
 
-test_cases = [
-    {'library' : library, 'elem_type' : elem_type}
-    for library, elem_type in product(*test_params)
-]
+rect_mesh = openmc.RectilinearMesh()
+rect_mesh.x_grid = np.linspace(0, 10, 5)
+rect_mesh.y_grid = np.geomspace(5., 20., 10)
+rect_mesh.z_grid = np.linspace(1, 100, 20)
 
-@pytest.mark.parametrize("test_opts", test_cases, ids=ids_func)
-def test_unstructured_mesh_to_vtk(run_in_tmpdir, request, test_opts):
+cyl_mesh = openmc.CylindricalMesh()
+cyl_mesh.origin = (10, 10, -10)
+cyl_mesh.r_grid = np.linspace(0, 5, 5)
+cyl_mesh.phi_grid = np.linspace(0, 2 * np.pi, 4)
+cyl_mesh.z_grid = np.linspace(0, 2, 4)
 
-    if test_opts['library'] == 'moab' and test_opts['elem_type'] == 'hexes':
-        pytest.skip('Hexes are not supported with MOAB')
+sphere_mesh = openmc.SphericalMesh()
+sphere_mesh.origin = (10, 10, -10)
+sphere_mesh.r_grid = np.linspace(0, 5, 3)
+sphere_mesh.theta_grid = np.linspace(0, 0.5 * np.pi, 4)
+sphere_mesh.phi_grid = np.linspace(0, 2*np.pi, 8)
 
-    if test_opts['library'] == 'libmesh' and not openmc.lib._libmesh_enabled():
-        pytest.skip('LibMesh is not enabled in this build.')
 
-    if test_opts['library'] == 'moab' and not openmc.lib._dagmc_enabled():
-        pytest.skip('DAGMC (and MOAB) mesh not enabled in this build.')
+def mesh_data(mesh_dims):
+    data = 100 * np.arange(np.prod(mesh_dims), dtype=float)
+    return data.reshape(*mesh_dims)
 
-    # pull in a simple model -- just need to create the statepoint file
-    openmc.reset_auto_ids()
-    model = openmc.examples.pwr_pin_cell()
+test_data = ((reg_mesh, False, 'regular'),
+             (rect_mesh, False, 'rectilinear'),
+             (cyl_mesh, False, 'cylindrical-linear'),
+             (cyl_mesh, True, 'cylindrical-curvilinear'),
+             (sphere_mesh, False, 'spherical-linear'),
+             (sphere_mesh, True, 'spherical-curvilinear'))
 
-    if test_opts['elem_type'] == 'tets':
-        filename = Path('tets.exo')
-    else:
-        filename = Path('hexes.exo')
+@pytest.mark.parametrize('mesh_params',
+                         test_data,
+                         ids=lambda params: params[2])
+def test_mesh_write_vtk(mesh_params, run_in_tmpdir):
+    mesh, curvilinear, filename = mesh_params
 
-    # create a basic tally using the unstructured mesh
-    umesh = openmc.UnstructuredMesh(request.node.path.parent / filename,
-                                    test_opts['library'])
-    umesh.output = False
-    mesh_filter = openmc.MeshFilter(umesh)
-    tally = openmc.Tally()
-    tally.filters = [mesh_filter]
-    tally.scores = ['flux']
-    tally.estimator = 'collision'
-    model.tallies = openmc.Tallies([tally])
-    sp_file = model.run()
+    test_data = full_path(filename + ".vtk")
+    kwargs = {}
+    if curvilinear:
+        kwargs['curvilinear'] = curvilinear
+
+    # set output filename based on test configuration
+    filename = test_data if config['update'] else filename + "-actual.vtk"
+
+    # write the mesh file and compare to the expected version
+    mesh.write_data_to_vtk(filename, **kwargs)
+
+    try:
+        assert filecmp.cmp(test_data, filename)
+    except AssertionError as e:
+        diff = diff_file(test_data, filename)
+        raise AssertionError(diff) from e
+
+# check data writing
+def test_mesh_write_vtk_data(run_in_tmpdir):
+
+    data = {'ascending_data': mesh_data(cyl_mesh.dimension)}
+    filename_expected = full_path('cyl-data.vtk')
+    filename_actual = full_path('cyl-data-actual.vtk')
+    # update the test file if requested
+    filename = filename_expected if config['update'] else filename_actual
+    cyl_mesh.write_data_to_vtk(filename, datasets=data, volume_normalization=False)
+
+    try:
+        assert filecmp.cmp(filename, filename_expected)
+    except AssertionError as e:
+        diff = diff_file(filename_expected, filename)
+        raise AssertionError(diff) from e
 
-    # check VTK output after reading mesh from statepoint file
-    with openmc.StatePoint(sp_file) as sp:
-        umesh = sp.meshes[umesh.id]
 
-    test_data = {'ids': np.arange(umesh.n_elements)}
-    umesh.write_data_to_vtk('umesh.vtk',
-                            datasets=test_data,
-                            volume_normalization=False)
 
-    # compare file content with reference file
-    ref_file = Path(f"{test_opts['library']}_{test_opts['elem_type']}_ref.vtk")
-    assert filecmp.cmp('umesh.vtk', request.node.path.parent / ref_file)
diff --git a/tests/unit_tests/test_mesh_to_vtk.py b/tests/unit_tests/mesh_to_vtk/test_vtk_dims.py
similarity index 99%
rename from tests/unit_tests/test_mesh_to_vtk.py
rename to tests/unit_tests/mesh_to_vtk/test_vtk_dims.py
index 2e2790e0a..f7f5af8d0 100644
--- a/tests/unit_tests/test_mesh_to_vtk.py
+++ b/tests/unit_tests/mesh_to_vtk/test_vtk_dims.py
@@ -212,7 +212,7 @@ def mesh_surf_id(param):
 
 
 @pytest.mark.parametrize("mesh,surface", product(MESHES, SURFS), ids=mesh_surf_id)
-def test_vtk_write_ordering(model, mesh, surface):
+def test_vtk_write_ordering(run_in_tmpdir, model, mesh, surface):
 
     tally = openmc.Tally()
     tally.scores = ['flux']

From 3eeb13171351fc25a72a1ab54e97f7d729e21fac Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 16 Jun 2023 15:18:12 -0500
Subject: [PATCH 1871/2654] Add support for import of wwinp files using
 cylindrical and spherical meshes. (#2556)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/weight_windows.py                      | 52 ++++++-----
 tests/regression_tests/weightwindows/test.py  | 62 +++++++++++++
 .../weightwindows/ww_n_cyl.txt                | 88 ++++++++++++++++++
 .../weightwindows/ww_n_sph.txt                | 89 +++++++++++++++++++
 4 files changed, 270 insertions(+), 21 deletions(-)
 create mode 100644 tests/regression_tests/weightwindows/ww_n_cyl.txt
 create mode 100644 tests/regression_tests/weightwindows/ww_n_sph.txt

diff --git a/openmc/weight_windows.py b/openmc/weight_windows.py
index 2411b83f8..bbc5c2f18 100644
--- a/openmc/weight_windows.py
+++ b/openmc/weight_windows.py
@@ -11,7 +11,7 @@ import h5py
 
 import openmc
 from openmc.filter import _PARTICLES
-from openmc.mesh import MeshBase, RectilinearMesh, UnstructuredMesh
+from openmc.mesh import MeshBase, RectilinearMesh, CylindricalMesh, SphericalMesh, UnstructuredMesh
 import openmc.checkvalue as cv
 from openmc.checkvalue import PathLike
 
@@ -494,10 +494,6 @@ def wwinp_to_wws(path: PathLike) -> List[WeightWindows]:
         else:
             nt = ni * [1]
 
-        if nr == 16:
-            raise NotImplementedError('Cylindrical and spherical mesh '
-                                      'types are not yet supported')
-
         # read number of energy bins for each particle, 'ne(1...ni)'
         ne = np.fromstring(wwinp.readline(), sep=' ', dtype=int)
 
@@ -512,14 +508,18 @@ def wwinp_to_wws(path: PathLike) -> List[WeightWindows]:
             line_arr = np.fromstring(wwinp.readline(), sep=' ')
             ncx, ncy, ncz = line_arr[:3].astype(int)
             # read polar vector (x1, y1, z1)
-            xyz1 = line_arr[3:] - xyz0
-            polar_vec = xyz1 / np.linalg.norm(xyz1)
+            xyz1 = line_arr[3:]
             # read azimuthal vector (x2, y2, z2)
             line_arr = np.fromstring(wwinp.readline(), sep=' ')
-            xyz2 = line_arr[:3] - xyz0
-            azimuthal_vec = xyz2 / np.linalg.norm(xyz2)
+            xyz2 = line_arr[:3]
+
+            # oriented polar and azimuthal vectors aren't yet supported
+            if np.count_nonzero(xyz1) or np.count_nonzero(xyz2):
+                raise NotImplementedError('Custom sphere/cylinder orientations are not supported')
+
             # read geometry type
             nwg = int(line_arr[-1])
+
         elif nr == 10:
             # read rectilinear data:
             # number of coarse mesh bins and mesh type
@@ -537,39 +537,40 @@ def wwinp_to_wws(path: PathLike) -> List[WeightWindows]:
     # first values in the mesh definition arrays are the first
     # coordinate of the grid
     end_idx = start_idx + 1 + 3 * ncx
-    x0, x_vals = ww_data[start_idx], ww_data[start_idx+1:end_idx]
+    i0, i_vals = ww_data[start_idx], ww_data[start_idx+1:end_idx]
     start_idx = end_idx
 
     end_idx = start_idx + 1 + 3 * ncy
-    y0, y_vals = ww_data[start_idx], ww_data[start_idx+1:end_idx]
+    j0, j_vals = ww_data[start_idx], ww_data[start_idx+1:end_idx]
     start_idx = end_idx
 
     end_idx = start_idx + 1 + 3 * ncz
-    z0, z_vals = ww_data[start_idx], ww_data[start_idx+1:end_idx]
+    k0, k_vals = ww_data[start_idx], ww_data[start_idx+1:end_idx]
     start_idx = end_idx
 
     # mesh consistency checks
-    if nr == 16 and nwg == 1:
+    if nr == 16 and nwg == 1 or nr == 10 and nwg != 1:
         raise ValueError(f'Mesh description in header ({nr}) '
                          f'does not match the mesh type ({nwg})')
 
-    if (xyz0 != (x0, y0, z0)).any():
+    if nr == 10 and (xyz0 != (i0, j0, k0)).any():
         raise ValueError(f'Mesh origin in the header ({xyz0}) '
                          f' does not match the origin in the mesh '
-                         f' description ({x0, y0, z0})')
+                         f' description ({i0, j0, k0})')
 
     # create openmc mesh object
     grids = []
-    mesh_definition = [(x0, x_vals, nfx), (y0, y_vals, nfy), (z0, z_vals, nfz)]
+    mesh_definition = [(i0, i_vals, nfx), (j0, j_vals, nfy), (k0, k_vals, nfz)]
     for grid0, grid_vals, n_pnts in mesh_definition:
         # file spec checks for the mesh definition
         if (grid_vals[2::3] != 1.0).any():
             raise ValueError('One or more mesh ratio value, qx, '
                              'is not equal to one')
 
-        if grid_vals[::3].sum() != n_pnts:
-            raise ValueError('Sum of the fine bin entries, s, does '
-                             'not match the number of fine bins')
+        s = int(grid_vals[::3].sum())
+        if s != n_pnts:
+            raise ValueError(f'Sum of the fine bin entries, {s}, does '
+                             f'not match the number of fine bins, {n_pnts}')
 
         # extend the grid based on the next coarse bin endpoint, px
         # and the number of fine bins in the coarse bin, sx
@@ -580,8 +581,17 @@ def wwinp_to_wws(path: PathLike) -> List[WeightWindows]:
 
         grids.append(np.array(coords))
 
-    mesh = RectilinearMesh()
-    mesh.x_grid, mesh.y_grid, mesh.z_grid = grids
+    if nwg == 1:
+        mesh = RectilinearMesh()
+        mesh.x_grid, mesh.y_grid, mesh.z_grid = grids
+    elif nwg == 2:
+        mesh = CylindricalMesh()
+        mesh.r_grid, mesh.z_grid, mesh.phi_grid = grids
+        mesh.origin = xyz0
+    elif nwg == 3:
+        mesh = SphericalMesh()
+        mesh.r_grid, mesh.theta_grid, mesh.phi_grid = grids
+        mesh.origin = xyz0
 
     # extract weight window values from array
     wws = []
diff --git a/tests/regression_tests/weightwindows/test.py b/tests/regression_tests/weightwindows/test.py
index 3d3cf9d7a..b7a0e4fe1 100644
--- a/tests/regression_tests/weightwindows/test.py
+++ b/tests/regression_tests/weightwindows/test.py
@@ -110,3 +110,65 @@ def model():
 def test_weightwindows(model):
     test = HashedPyAPITestHarness('statepoint.2.h5', model)
     test.main()
+
+
+def test_wwinp_cylindrical():
+
+    ww = openmc.wwinp_to_wws('ww_n_cyl.txt')[0]
+
+    mesh = ww.mesh
+
+    assert mesh.dimension == (8, 8, 7)
+
+    # make sure that the mesh grids are correct
+    exp_r_grid = np.hstack((np.linspace(0.0, 3.02, 3, endpoint=False),
+                            np.linspace(3.02, 6.0001, 6))).flatten()
+
+    exp_phi_grid = np.hstack((np.linspace(0.0, 0.25, 2, endpoint=False),
+                              np.linspace(0.25, 1.5707, 1, endpoint=False),
+                              np.linspace(1.5707, 3.1415, 2, endpoint=False),
+                              np.linspace(3.1415, 4.7124, 4))).flatten()
+
+    exp_z_grid = np.hstack((np.linspace(0.0, 8.008, 4, endpoint=False),
+                            np.linspace(8.008, 14.002, 4))).flatten()
+
+    assert isinstance(mesh, openmc.CylindricalMesh)
+
+    np.testing.assert_equal(mesh.r_grid, exp_r_grid)
+    np.testing.assert_equal(mesh.phi_grid, exp_phi_grid)
+    np.testing.assert_equal(mesh.z_grid, exp_z_grid)
+    np.testing.assert_equal(mesh.origin, (0, 0, -9.0001))
+    assert ww.lower_ww_bounds.flat[0] == 0.0
+    assert ww.lower_ww_bounds.flat[-1] == np.prod(mesh.dimension) - 1
+
+
+def test_wwinp_spherical():
+
+    ww = openmc.wwinp_to_wws('ww_n_sph.txt')[0]
+
+    mesh = ww.mesh
+
+    assert mesh.dimension == (8, 7, 8)
+
+    # make sure that the mesh grids are correct
+    exp_r_grid = np.hstack((np.linspace(0.0, 3.02, 3, endpoint=False),
+                            np.linspace(3.02, 6.0001, 6))).flatten()
+
+    exp_theta_grid = np.hstack((np.linspace(0.0, 0.25, 2, endpoint=False),
+                              np.linspace(0.25, 0.5, 1, endpoint=False),
+                              np.linspace(0.5, 0.75, 2, endpoint=False),
+                              np.linspace(0.75, 1.5707, 3))).flatten()
+
+    exp_phi_grid = np.hstack((np.linspace(0.0, 0.25, 2, endpoint=False),
+                              np.linspace(0.25, 0.5, 1, endpoint=False),
+                              np.linspace(0.5, 1.5707, 2, endpoint=False),
+                              np.linspace(1.5707, 3.1415, 4))).flatten()
+
+    assert isinstance(mesh, openmc.SphericalMesh)
+
+    np.testing.assert_equal(mesh.r_grid, exp_r_grid)
+    np.testing.assert_equal(mesh.theta_grid, exp_theta_grid)
+    np.testing.assert_equal(mesh.phi_grid, exp_phi_grid)
+    np.testing.assert_equal(mesh.origin, (0, 0, -9.0001))
+    assert ww.lower_ww_bounds.flat[0] == 0.0
+    assert ww.lower_ww_bounds.flat[-1] == np.prod(mesh.dimension) - 1
diff --git a/tests/regression_tests/weightwindows/ww_n_cyl.txt b/tests/regression_tests/weightwindows/ww_n_cyl.txt
new file mode 100644
index 000000000..89232628f
--- /dev/null
+++ b/tests/regression_tests/weightwindows/ww_n_cyl.txt
@@ -0,0 +1,88 @@
+1 1 1 16
+1
+8.0000 7.0000 8.0000 0.0000 0.0000 -9.0001
+2.0000 2.0000 4.0000 0.0000 0.0000 0.0000
+0.0000 0.0000 0.0000 2.0000
+0.0000 3.0000 3.0200 1.0000 5.0000 6.0001
+1.0000
+0.0000 4.0000 8.0080 1.0000 3.0000 14.002
+1.0000
+0.0000 2.0000 0.25000 1.0000 1.0000 1.57070
+1.0000 2.0000 3.1415 1.0000 3.0000 4.7124
+1.0000
+100.00
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+384.000000 385.000000 386.000000 387.000000 388.000000 389.000000
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+408.000000 409.000000 410.000000 411.000000 412.000000 413.000000
+414.000000 415.000000 416.000000 417.000000 418.000000 419.000000
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diff --git a/tests/regression_tests/weightwindows/ww_n_sph.txt b/tests/regression_tests/weightwindows/ww_n_sph.txt
new file mode 100644
index 000000000..3f9b8dab6
--- /dev/null
+++ b/tests/regression_tests/weightwindows/ww_n_sph.txt
@@ -0,0 +1,89 @@
+1 1 1 16
+1
+8.0000 7.0000 8.0000 0.0000 0.0000 -9.0001
+2.0000 4.0000 4.0000 0.0000 0.0000 0.0000
+0.0000 0.0000 0.0000 3.0000
+0.0000 3.0000 3.0200 1.0000 5.0000 6.0001
+1.0000
+0.0000 2.0000 0.25000 1.0000 1.0000 0.50000
+1.0000 2.0000 0.75000 1.0000 2.0000 1.5707
+1.0000
+0.0000 2.0000 0.25000 1.0000 1.0000 0.50000
+1.0000 2.0000 1.5707 1.0000 3.0000 3.1415
+1.0000
+100.00
+0.000000 1.000000 2.000000 3.000000 4.000000 5.000000
+6.000000 7.000000 8.000000 9.000000 10.000000 11.000000
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+444.000000 445.000000 446.000000 447.000000

From ee7b95245a981d59f9e3bc2a6ba5da1adba0c60b Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Sat, 17 Jun 2023 04:34:02 +0100
Subject: [PATCH 1872/2654] Static errors continuation (#2557)

Co-authored-by: Christina Cai <chrsitinacai48933@gmail.com>
Co-authored-by: christinacai123 <63215816+christinacai123@users.noreply.github.com>
---
 openmc/arithmetic.py               | 176 ++++-----
 openmc/cell.py                     | 184 ++++-----
 openmc/data/angle_distribution.py  |   8 +-
 openmc/data/correlated.py          |  32 +-
 openmc/data/data.py                |   5 +-
 openmc/data/decay.py               |  48 +--
 openmc/data/energy_distribution.py |  97 +++--
 openmc/data/fission_energy.py      |  70 ++--
 openmc/data/function.py            |  64 +--
 openmc/data/kalbach_mann.py        |  40 +-
 openmc/data/laboratory.py          |  31 +-
 openmc/data/multipole.py           |  66 ++--
 openmc/data/nbody.py               |  24 +-
 openmc/data/neutron.py             |  84 ++--
 openmc/data/photon.py              |  64 +--
 openmc/data/product.py             |  40 +-
 openmc/data/reaction.py            |  40 +-
 openmc/data/resonance.py           |  12 +-
 openmc/data/thermal.py             |   8 +-
 openmc/data/uncorrelated.py        |   8 +-
 openmc/data/urr.py                 |  40 +-
 openmc/filter.py                   |  48 +--
 openmc/geometry.py                 |  18 +-
 openmc/lattice.py                  |  58 +--
 openmc/lib/plot.py                 |  52 +--
 openmc/lib/tally.py                |   8 +-
 openmc/material.py                 |  60 +--
 openmc/mesh.py                     | 190 ++++-----
 openmc/mgxs/groups.py              |   8 +-
 openmc/mgxs/library.py             | 224 +++++------
 openmc/mgxs/mdgxs.py               |  14 +-
 openmc/mgxs/mgxs.py                | 392 +++++++++----------
 openmc/mgxs_library.py             | 170 ++++----
 openmc/model/model.py              |  80 ++--
 openmc/model/triso.py              | 136 +++----
 openmc/plots.py                    | 218 +++++------
 openmc/settings.py                 | 598 ++++++++++++++---------------
 openmc/source.py                   | 100 ++---
 openmc/statepoint.py               |  40 +-
 openmc/stats/multivariate.py       |  88 ++---
 openmc/stats/univariate.py         |  72 ++--
 openmc/surface.py                  |  24 +-
 openmc/tallies.py                  | 220 +++++------
 openmc/tally_derivative.py         |  16 +-
 openmc/trigger.py                  |  16 +-
 openmc/universe.py                 |  18 +-
 openmc/volume.py                   | 110 +++---
 47 files changed, 2061 insertions(+), 2058 deletions(-)

diff --git a/openmc/arithmetic.py b/openmc/arithmetic.py
index 3655ef2a3..5ca7cc666 100644
--- a/openmc/arithmetic.py
+++ b/openmc/arithmetic.py
@@ -61,26 +61,26 @@ class CrossScore:
     def left_score(self):
         return self._left_score
 
-    @property
-    def right_score(self):
-        return self._right_score
-
-    @property
-    def binary_op(self):
-        return self._binary_op
-
     @left_score.setter
     def left_score(self, left_score):
         cv.check_type('left_score', left_score,
                       (str, CrossScore, AggregateScore))
         self._left_score = left_score
 
+    @property
+    def right_score(self):
+        return self._right_score
+
     @right_score.setter
     def right_score(self, right_score):
         cv.check_type('right_score', right_score,
                       (str, CrossScore, AggregateScore))
         self._right_score = right_score
 
+    @property
+    def binary_op(self):
+        return self._binary_op
+
     @binary_op.setter
     def binary_op(self, binary_op):
         cv.check_type('binary_op', binary_op, str)
@@ -132,14 +132,32 @@ class CrossNuclide:
     def left_nuclide(self):
         return self._left_nuclide
 
+    @left_nuclide.setter
+    def left_nuclide(self, left_nuclide):
+        cv.check_type('left_nuclide', left_nuclide,
+                      (openmc.Nuclide, CrossNuclide, AggregateNuclide))
+        self._left_nuclide = left_nuclide
+
     @property
     def right_nuclide(self):
         return self._right_nuclide
 
+    @right_nuclide.setter
+    def right_nuclide(self, right_nuclide):
+        cv.check_type('right_nuclide', right_nuclide,
+                      (openmc.Nuclide, CrossNuclide, AggregateNuclide))
+        self._right_nuclide = right_nuclide
+
     @property
     def binary_op(self):
         return self._binary_op
 
+    @binary_op.setter
+    def binary_op(self, binary_op):
+        cv.check_type('binary_op', binary_op, str)
+        cv.check_value('binary_op', binary_op, _TALLY_ARITHMETIC_OPS)
+        self._binary_op = binary_op
+
     @property
     def name(self):
 
@@ -163,24 +181,6 @@ class CrossNuclide:
 
         return string
 
-    @left_nuclide.setter
-    def left_nuclide(self, left_nuclide):
-        cv.check_type('left_nuclide', left_nuclide,
-                      (openmc.Nuclide, CrossNuclide, AggregateNuclide))
-        self._left_nuclide = left_nuclide
-
-    @right_nuclide.setter
-    def right_nuclide(self, right_nuclide):
-        cv.check_type('right_nuclide', right_nuclide,
-                      (openmc.Nuclide, CrossNuclide, AggregateNuclide))
-        self._right_nuclide = right_nuclide
-
-    @binary_op.setter
-    def binary_op(self, binary_op):
-        cv.check_type('binary_op', binary_op, str)
-        cv.check_value('binary_op', binary_op, _TALLY_ARITHMETIC_OPS)
-        self._binary_op = binary_op
-
 
 class CrossFilter:
     """A special-purpose filter used to encapsulate all combinations of two
@@ -241,14 +241,32 @@ class CrossFilter:
     def left_filter(self):
         return self._left_filter
 
+    @left_filter.setter
+    def left_filter(self, left_filter):
+        cv.check_type('left_filter', left_filter,
+                      (openmc.Filter, CrossFilter, AggregateFilter))
+        self._left_filter = left_filter
+
     @property
     def right_filter(self):
         return self._right_filter
 
+    @right_filter.setter
+    def right_filter(self, right_filter):
+        cv.check_type('right_filter', right_filter,
+                      (openmc.Filter, CrossFilter, AggregateFilter))
+        self._right_filter = right_filter
+
     @property
     def binary_op(self):
         return self._binary_op
 
+    @binary_op.setter
+    def binary_op(self, binary_op):
+        cv.check_type('binary_op', binary_op, str)
+        cv.check_value('binary_op', binary_op, _TALLY_ARITHMETIC_OPS)
+        self._binary_op = binary_op
+
     @property
     def type(self):
         left_type = self.left_filter.type
@@ -266,24 +284,6 @@ class CrossFilter:
         else:
             return 0
 
-    @left_filter.setter
-    def left_filter(self, left_filter):
-        cv.check_type('left_filter', left_filter,
-                      (openmc.Filter, CrossFilter, AggregateFilter))
-        self._left_filter = left_filter
-
-    @right_filter.setter
-    def right_filter(self, right_filter):
-        cv.check_type('right_filter', right_filter,
-                      (openmc.Filter, CrossFilter, AggregateFilter))
-        self._right_filter = right_filter
-
-    @binary_op.setter
-    def binary_op(self, binary_op):
-        cv.check_type('binary_op', binary_op, str)
-        cv.check_value('binary_op', binary_op, _TALLY_ARITHMETIC_OPS)
-        self._binary_op = binary_op
-
     def get_bin_index(self, filter_bin):
         """Returns the index in the CrossFilter for some bin.
 
@@ -412,10 +412,21 @@ class AggregateScore:
     def scores(self):
         return self._scores
 
+    @scores.setter
+    def scores(self, scores):
+        cv.check_iterable_type('scores', scores, str)
+        self._scores = scores
+
     @property
     def aggregate_op(self):
         return self._aggregate_op
 
+    @aggregate_op.setter
+    def aggregate_op(self, aggregate_op):
+        cv.check_type('aggregate_op', aggregate_op, (str, CrossScore))
+        cv.check_value('aggregate_op', aggregate_op, _TALLY_AGGREGATE_OPS)
+        self._aggregate_op = aggregate_op
+
     @property
     def name(self):
 
@@ -423,17 +434,6 @@ class AggregateScore:
         string = '(' + ', '.join(self.scores) + ')'
         return string
 
-    @scores.setter
-    def scores(self, scores):
-        cv.check_iterable_type('scores', scores, str)
-        self._scores = scores
-
-    @aggregate_op.setter
-    def aggregate_op(self, aggregate_op):
-        cv.check_type('aggregate_op', aggregate_op, (str, CrossScore))
-        cv.check_value('aggregate_op', aggregate_op, _TALLY_AGGREGATE_OPS)
-        self._aggregate_op = aggregate_op
-
 
 class AggregateNuclide:
     """A special-purpose tally nuclide used to encapsulate an aggregate of a
@@ -486,10 +486,21 @@ class AggregateNuclide:
     def nuclides(self):
         return self._nuclides
 
+    @nuclides.setter
+    def nuclides(self, nuclides):
+        cv.check_iterable_type('nuclides', nuclides, (str, CrossNuclide))
+        self._nuclides = nuclides
+
     @property
     def aggregate_op(self):
         return self._aggregate_op
 
+    @aggregate_op.setter
+    def aggregate_op(self, aggregate_op):
+        cv.check_type('aggregate_op', aggregate_op, str)
+        cv.check_value('aggregate_op', aggregate_op, _TALLY_AGGREGATE_OPS)
+        self._aggregate_op = aggregate_op
+
     @property
     def name(self):
 
@@ -499,17 +510,6 @@ class AggregateNuclide:
         string = '(' + ', '.join(map(str, names)) + ')'
         return string
 
-    @nuclides.setter
-    def nuclides(self, nuclides):
-        cv.check_iterable_type('nuclides', nuclides, (str, CrossNuclide))
-        self._nuclides = nuclides
-
-    @aggregate_op.setter
-    def aggregate_op(self, aggregate_op):
-        cv.check_type('aggregate_op', aggregate_op, str)
-        cv.check_value('aggregate_op', aggregate_op, _TALLY_AGGREGATE_OPS)
-        self._aggregate_op = aggregate_op
-
 
 class AggregateFilter:
     """A special-purpose tally filter used to encapsulate an aggregate of a
@@ -588,26 +588,26 @@ class AggregateFilter:
     def aggregate_filter(self):
         return self._aggregate_filter
 
+    @aggregate_filter.setter
+    def aggregate_filter(self, aggregate_filter):
+        cv.check_type('aggregate_filter', aggregate_filter,
+                      (openmc.Filter, CrossFilter))
+        self._aggregate_filter = aggregate_filter
+
     @property
     def aggregate_op(self):
         return self._aggregate_op
 
+    @aggregate_op.setter
+    def aggregate_op(self, aggregate_op):
+        cv.check_type('aggregate_op', aggregate_op, str)
+        cv.check_value('aggregate_op', aggregate_op, _TALLY_AGGREGATE_OPS)
+        self._aggregate_op = aggregate_op
+
     @property
     def type(self):
         return self._type
 
-    @property
-    def bins(self):
-        return self._bins
-
-    @property
-    def num_bins(self):
-        return len(self.bins) if self.aggregate_filter else 0
-
-    @property
-    def shape(self):
-        return (self.num_bins,)
-
     @type.setter
     def type(self, filter_type):
         if filter_type not in _FILTER_TYPES:
@@ -617,22 +617,22 @@ class AggregateFilter:
 
         self._type = filter_type
 
-    @aggregate_filter.setter
-    def aggregate_filter(self, aggregate_filter):
-        cv.check_type('aggregate_filter', aggregate_filter,
-                      (openmc.Filter, CrossFilter))
-        self._aggregate_filter = aggregate_filter
+    @property
+    def bins(self):
+        return self._bins
 
     @bins.setter
     def bins(self, bins):
         cv.check_iterable_type('bins', bins, Iterable)
         self._bins = list(map(tuple, bins))
 
-    @aggregate_op.setter
-    def aggregate_op(self, aggregate_op):
-        cv.check_type('aggregate_op', aggregate_op, str)
-        cv.check_value('aggregate_op', aggregate_op, _TALLY_AGGREGATE_OPS)
-        self._aggregate_op = aggregate_op
+    @property
+    def num_bins(self):
+        return len(self.bins) if self.aggregate_filter else 0
+
+    @property
+    def shape(self):
+        return (self.num_bins,)
 
     def get_bin_index(self, filter_bin):
         """Returns the index in the AggregateFilter for some bin.
diff --git a/openmc/cell.py b/openmc/cell.py
index 5797bc0f6..b0be1ea79 100644
--- a/openmc/cell.py
+++ b/openmc/cell.py
@@ -150,10 +150,37 @@ class Cell(IDManagerMixin):
     def name(self):
         return self._name
 
+    @name.setter
+    def name(self, name):
+        if name is not None:
+            cv.check_type('cell name', name, str)
+            self._name = name
+        else:
+            self._name = ''
+
     @property
     def fill(self):
         return self._fill
 
+    @fill.setter
+    def fill(self, fill):
+        if fill is not None:
+            if isinstance(fill, Iterable):
+                for i, f in enumerate(fill):
+                    if f is not None:
+                        cv.check_type('cell.fill[i]', f, openmc.Material)
+
+            elif not isinstance(fill, (openmc.Material, openmc.Lattice,
+                                       openmc.UniverseBase)):
+                msg = (f'Unable to set Cell ID="{self._id}" to use a '
+                       f'non-Material or Universe fill "{fill}"')
+                raise ValueError(msg)
+        self._fill = fill
+
+        # Info about atom content can now be invalid
+        # (since fill has just changed)
+        self._atoms = None
+
     @property
     def fill_type(self):
         if isinstance(self.fill, openmc.Material):
@@ -171,10 +198,37 @@ class Cell(IDManagerMixin):
     def region(self):
         return self._region
 
+    @region.setter
+    def region(self, region):
+        if region is not None:
+            cv.check_type('cell region', region, Region)
+        self._region = region
+
     @property
     def rotation(self):
         return self._rotation
 
+    @rotation.setter
+    def rotation(self, rotation):
+        cv.check_length('cell rotation', rotation, 3)
+        self._rotation = np.asarray(rotation)
+
+        # Save rotation matrix -- the reason we do this instead of having it be
+        # automatically calculated when the rotation_matrix property is accessed
+        # is so that plotting on a rotated geometry can be done faster.
+        if self._rotation.ndim == 2:
+            # User specified rotation matrix directly
+            self._rotation_matrix = self._rotation
+        else:
+            phi, theta, psi = self.rotation*(-pi/180.)
+            c3, s3 = cos(phi), sin(phi)
+            c2, s2 = cos(theta), sin(theta)
+            c1, s1 = cos(psi), sin(psi)
+            self._rotation_matrix = np.array([
+                [c1*c2, c1*s2*s3 - c3*s1, s1*s3 + c1*c3*s2],
+                [c2*s1, c1*c3 + s1*s2*s3, c3*s1*s2 - c1*s3],
+                [-s2, c2*s3, c2*c3]])
+
     @property
     def rotation_matrix(self):
         return self._rotation_matrix
@@ -183,14 +237,52 @@ class Cell(IDManagerMixin):
     def temperature(self):
         return self._temperature
 
+    @temperature.setter
+    def temperature(self, temperature):
+        # Make sure temperatures are positive
+        cv.check_type('cell temperature', temperature, (Iterable, Real), none_ok=True)
+        if isinstance(temperature, Iterable):
+            cv.check_type('cell temperature', temperature, Iterable, Real)
+            for T in temperature:
+                cv.check_greater_than('cell temperature', T, 0.0, True)
+        elif isinstance(temperature, Real):
+            cv.check_greater_than('cell temperature', temperature, 0.0, True)
+
+        # If this cell is filled with a universe or lattice, propagate
+        # temperatures to all cells contained. Otherwise, simply assign it.
+        if self.fill_type in ('universe', 'lattice'):
+            for c in self.get_all_cells().values():
+                if c.fill_type == 'material':
+                    c._temperature = temperature
+        else:
+            self._temperature = temperature
+
     @property
     def translation(self):
         return self._translation
 
+    @translation.setter
+    def translation(self, translation):
+        cv.check_type('cell translation', translation, Iterable, Real)
+        cv.check_length('cell translation', translation, 3)
+        self._translation = np.asarray(translation)
+
     @property
     def volume(self):
         return self._volume
 
+    @volume.setter
+    def volume(self, volume):
+        if volume is not None:
+            cv.check_type('cell volume', volume, (Real, UFloat))
+            cv.check_greater_than('cell volume', volume, 0.0, equality=True)
+
+        self._volume = volume
+
+        # Info about atom content can now be invalid
+        # (since volume has just changed)
+        self._atoms = None
+
     @property
     def atoms(self):
         if self._atoms is None:
@@ -263,98 +355,6 @@ class Cell(IDManagerMixin):
                 'Geometry.determine_paths() method.')
         return self._num_instances
 
-    @name.setter
-    def name(self, name):
-        if name is not None:
-            cv.check_type('cell name', name, str)
-            self._name = name
-        else:
-            self._name = ''
-
-    @fill.setter
-    def fill(self, fill):
-        if fill is not None:
-            if isinstance(fill, Iterable):
-                for i, f in enumerate(fill):
-                    if f is not None:
-                        cv.check_type('cell.fill[i]', f, openmc.Material)
-
-            elif not isinstance(fill, (openmc.Material, openmc.Lattice,
-                                       openmc.UniverseBase)):
-                msg = (f'Unable to set Cell ID="{self._id}" to use a '
-                       f'non-Material or Universe fill "{fill}"')
-                raise ValueError(msg)
-        self._fill = fill
-
-        # Info about atom content can now be invalid
-        # (since fill has just changed)
-        self._atoms = None
-
-    @rotation.setter
-    def rotation(self, rotation):
-        cv.check_length('cell rotation', rotation, 3)
-        self._rotation = np.asarray(rotation)
-
-        # Save rotation matrix -- the reason we do this instead of having it be
-        # automatically calculated when the rotation_matrix property is accessed
-        # is so that plotting on a rotated geometry can be done faster.
-        if self._rotation.ndim == 2:
-            # User specified rotation matrix directly
-            self._rotation_matrix = self._rotation
-        else:
-            phi, theta, psi = self.rotation*(-pi/180.)
-            c3, s3 = cos(phi), sin(phi)
-            c2, s2 = cos(theta), sin(theta)
-            c1, s1 = cos(psi), sin(psi)
-            self._rotation_matrix = np.array([
-                [c1*c2, c1*s2*s3 - c3*s1, s1*s3 + c1*c3*s2],
-                [c2*s1, c1*c3 + s1*s2*s3, c3*s1*s2 - c1*s3],
-                [-s2, c2*s3, c2*c3]])
-
-    @translation.setter
-    def translation(self, translation):
-        cv.check_type('cell translation', translation, Iterable, Real)
-        cv.check_length('cell translation', translation, 3)
-        self._translation = np.asarray(translation)
-
-    @temperature.setter
-    def temperature(self, temperature):
-        # Make sure temperatures are positive
-        cv.check_type('cell temperature', temperature, (Iterable, Real), none_ok=True)
-        if isinstance(temperature, Iterable):
-            cv.check_type('cell temperature', temperature, Iterable, Real)
-            for T in temperature:
-                cv.check_greater_than('cell temperature', T, 0.0, True)
-        elif isinstance(temperature, Real):
-            cv.check_greater_than('cell temperature', temperature, 0.0, True)
-
-        # If this cell is filled with a universe or lattice, propagate
-        # temperatures to all cells contained. Otherwise, simply assign it.
-        if self.fill_type in ('universe', 'lattice'):
-            for c in self.get_all_cells().values():
-                if c.fill_type == 'material':
-                    c._temperature = temperature
-        else:
-            self._temperature = temperature
-
-    @region.setter
-    def region(self, region):
-        if region is not None:
-            cv.check_type('cell region', region, Region)
-        self._region = region
-
-    @volume.setter
-    def volume(self, volume):
-        if volume is not None:
-            cv.check_type('cell volume', volume, (Real, UFloat))
-            cv.check_greater_than('cell volume', volume, 0.0, equality=True)
-
-        self._volume = volume
-
-        # Info about atom content can now be invalid
-        # (since volume has just changed)
-        self._atoms = None
-
     def add_volume_information(self, volume_calc):
         """Add volume information to a cell.
 
diff --git a/openmc/data/angle_distribution.py b/openmc/data/angle_distribution.py
index 4d058bcb7..bb0eafe5a 100644
--- a/openmc/data/angle_distribution.py
+++ b/openmc/data/angle_distribution.py
@@ -42,16 +42,16 @@ class AngleDistribution(EqualityMixin):
     def energy(self):
         return self._energy
 
-    @property
-    def mu(self):
-        return self._mu
-
     @energy.setter
     def energy(self, energy):
         cv.check_type('angle distribution incoming energy', energy,
                       Iterable, Real)
         self._energy = energy
 
+    @property
+    def mu(self):
+        return self._mu
+
     @mu.setter
     def mu(self, mu):
         cv.check_type('angle distribution scattering cosines', mu,
diff --git a/openmc/data/correlated.py b/openmc/data/correlated.py
index 1aa4c20c8..f131ce30d 100644
--- a/openmc/data/correlated.py
+++ b/openmc/data/correlated.py
@@ -58,46 +58,46 @@ class CorrelatedAngleEnergy(AngleEnergy):
     def breakpoints(self):
         return self._breakpoints
 
-    @property
-    def interpolation(self):
-        return self._interpolation
-
-    @property
-    def energy(self):
-        return self._energy
-
-    @property
-    def energy_out(self):
-        return self._energy_out
-
-    @property
-    def mu(self):
-        return self._mu
-
     @breakpoints.setter
     def breakpoints(self, breakpoints):
         cv.check_type('correlated angle-energy breakpoints', breakpoints,
                       Iterable, Integral)
         self._breakpoints = breakpoints
 
+    @property
+    def interpolation(self):
+        return self._interpolation
+
     @interpolation.setter
     def interpolation(self, interpolation):
         cv.check_type('correlated angle-energy interpolation', interpolation,
                       Iterable, Integral)
         self._interpolation = interpolation
 
+    @property
+    def energy(self):
+        return self._energy
+
     @energy.setter
     def energy(self, energy):
         cv.check_type('correlated angle-energy incoming energy', energy,
                       Iterable, Real)
         self._energy = energy
 
+    @property
+    def energy_out(self):
+        return self._energy_out
+
     @energy_out.setter
     def energy_out(self, energy_out):
         cv.check_type('correlated angle-energy outgoing energy', energy_out,
                       Iterable, Univariate)
         self._energy_out = energy_out
 
+    @property
+    def mu(self):
+        return self._mu
+
     @mu.setter
     def mu(self, mu):
         cv.check_iterable_type('correlated angle-energy outgoing cosine',
diff --git a/openmc/data/data.py b/openmc/data/data.py
index 16c7ecf54..609a901d9 100644
--- a/openmc/data/data.py
+++ b/openmc/data/data.py
@@ -5,6 +5,7 @@ import re
 from pathlib import Path
 from math import sqrt, log
 from warnings import warn
+from typing import Dict
 
 # Isotopic abundances from Meija J, Coplen T B, et al, "Isotopic compositions
 # of the elements 2013 (IUPAC Technical Report)", Pure. Appl. Chem. 88 (3),
@@ -195,13 +196,13 @@ AVOGADRO = 6.02214076e23
 NEUTRON_MASS = 1.00866491595
 
 # Used in atomic_mass function as a cache
-_ATOMIC_MASS = {}
+_ATOMIC_MASS: Dict[str, float] = {}
 
 # Regex for GNDS nuclide names (used in zam function)
 _GNDS_NAME_RE = re.compile(r'([A-Zn][a-z]*)(\d+)((?:_[em]\d+)?)')
 
 # Used in half_life function as a cache
-_HALF_LIFE = {}
+_HALF_LIFE: Dict[str, float] = {}
 _LOG_TWO = log(2.0)
 
 def atomic_mass(isotope):
diff --git a/openmc/data/decay.py b/openmc/data/decay.py
index 57327c07f..4f9d6f460 100644
--- a/openmc/data/decay.py
+++ b/openmc/data/decay.py
@@ -228,6 +228,18 @@ class DecayMode(EqualityMixin):
     def branching_ratio(self):
         return self._branching_ratio
 
+    @branching_ratio.setter
+    def branching_ratio(self, branching_ratio):
+        cv.check_type('branching ratio', branching_ratio, UFloat)
+        cv.check_greater_than('branching ratio',
+                              branching_ratio.nominal_value, 0.0, True)
+        if branching_ratio.nominal_value == 0.0:
+            warn('Decay mode {} of parent {} has a zero branching ratio.'
+                 .format(self.modes, self.parent))
+        cv.check_greater_than('branching ratio uncertainty',
+                              branching_ratio.std_dev, 0.0, True)
+        self._branching_ratio = branching_ratio
+
     @property
     def daughter(self):
         # Determine atomic number and mass number of parent
@@ -249,29 +261,18 @@ class DecayMode(EqualityMixin):
         else:
             return '{}{}'.format(ATOMIC_SYMBOL[Z], A)
 
-    @property
-    def energy(self):
-        return self._energy
-
-    @property
-    def modes(self):
-        return self._modes
-
     @property
     def parent(self):
         return self._parent
 
-    @branching_ratio.setter
-    def branching_ratio(self, branching_ratio):
-        cv.check_type('branching ratio', branching_ratio, UFloat)
-        cv.check_greater_than('branching ratio',
-                              branching_ratio.nominal_value, 0.0, True)
-        if branching_ratio.nominal_value == 0.0:
-            warn('Decay mode {} of parent {} has a zero branching ratio.'
-                 .format(self.modes, self.parent))
-        cv.check_greater_than('branching ratio uncertainty',
-                              branching_ratio.std_dev, 0.0, True)
-        self._branching_ratio = branching_ratio
+    @parent.setter
+    def parent(self, parent):
+        cv.check_type('parent nuclide', parent, str)
+        self._parent = parent
+
+    @property
+    def energy(self):
+        return self._energy
 
     @energy.setter
     def energy(self, energy):
@@ -281,16 +282,15 @@ class DecayMode(EqualityMixin):
                               energy.std_dev, 0.0, True)
         self._energy = energy
 
+    @property
+    def modes(self):
+        return self._modes
+
     @modes.setter
     def modes(self, modes):
         cv.check_type('decay modes', modes, Iterable, str)
         self._modes = modes
 
-    @parent.setter
-    def parent(self, parent):
-        cv.check_type('parent nuclide', parent, str)
-        self._parent = parent
-
 
 class Decay(EqualityMixin):
     """Radioactive decay data.
diff --git a/openmc/data/energy_distribution.py b/openmc/data/energy_distribution.py
index 3b6d325ef..a13893a68 100644
--- a/openmc/data/energy_distribution.py
+++ b/openmc/data/energy_distribution.py
@@ -253,15 +253,15 @@ class MaxwellEnergy(EnergyDistribution):
     def theta(self):
         return self._theta
 
-    @property
-    def u(self):
-        return self._u
-
     @theta.setter
     def theta(self, theta):
         cv.check_type('Maxwell theta', theta, Tabulated1D)
         self._theta = theta
 
+    @property
+    def u(self):
+        return self._u
+
     @u.setter
     def u(self, u):
         cv.check_type('Maxwell restriction energy', u, Real)
@@ -386,15 +386,15 @@ class Evaporation(EnergyDistribution):
     def theta(self):
         return self._theta
 
-    @property
-    def u(self):
-        return self._u
-
     @theta.setter
     def theta(self, theta):
         cv.check_type('Evaporation theta', theta, Tabulated1D)
         self._theta = theta
 
+    @property
+    def u(self):
+        return self._u
+
     @u.setter
     def u(self, u):
         cv.check_type('Evaporation restriction energy', u, Real)
@@ -523,24 +523,24 @@ class WattEnergy(EnergyDistribution):
     def a(self):
         return self._a
 
-    @property
-    def b(self):
-        return self._b
-
-    @property
-    def u(self):
-        return self._u
-
     @a.setter
     def a(self, a):
         cv.check_type('Watt a', a, Tabulated1D)
         self._a = a
 
+    @property
+    def b(self):
+        return self._b
+
     @b.setter
     def b(self, b):
         cv.check_type('Watt b', b, Tabulated1D)
         self._b = b
 
+    @property
+    def u(self):
+        return self._u
+
     @u.setter
     def u(self, u):
         cv.check_type('Watt restriction energy', u, Real)
@@ -691,14 +691,6 @@ class MadlandNix(EnergyDistribution):
     def efl(self):
         return self._efl
 
-    @property
-    def efh(self):
-        return self._efh
-
-    @property
-    def tm(self):
-        return self._tm
-
     @efl.setter
     def efl(self, efl):
         name = 'Madland-Nix light fragment energy'
@@ -706,6 +698,10 @@ class MadlandNix(EnergyDistribution):
         cv.check_greater_than(name, efl, 0.)
         self._efl = efl
 
+    @property
+    def efh(self):
+        return self._efh
+
     @efh.setter
     def efh(self, efh):
         name = 'Madland-Nix heavy fragment energy'
@@ -713,6 +709,10 @@ class MadlandNix(EnergyDistribution):
         cv.check_greater_than(name, efh, 0.)
         self._efh = efh
 
+    @property
+    def tm(self):
+        return self._tm
+
     @tm.setter
     def tm(self, tm):
         cv.check_type('Madland-Nix maximum temperature', tm, Tabulated1D)
@@ -778,7 +778,6 @@ class MadlandNix(EnergyDistribution):
         return cls(efl, efh, tm)
 
 
-
 class DiscretePhoton(EnergyDistribution):
     """Discrete photon energy distribution
 
@@ -814,24 +813,24 @@ class DiscretePhoton(EnergyDistribution):
     def primary_flag(self):
         return self._primary_flag
 
-    @property
-    def energy(self):
-        return self._energy
-
-    @property
-    def atomic_weight_ratio(self):
-        return self._atomic_weight_ratio
-
     @primary_flag.setter
     def primary_flag(self, primary_flag):
         cv.check_type('discrete photon primary_flag', primary_flag, Integral)
         self._primary_flag = primary_flag
 
+    @property
+    def energy(self):
+        return self._energy
+
     @energy.setter
     def energy(self, energy):
         cv.check_type('discrete photon energy', energy, Real)
         self._energy = energy
 
+    @property
+    def atomic_weight_ratio(self):
+        return self._atomic_weight_ratio
+
     @atomic_weight_ratio.setter
     def atomic_weight_ratio(self, atomic_weight_ratio):
         cv.check_type('atomic weight ratio', atomic_weight_ratio, Real)
@@ -922,15 +921,15 @@ class LevelInelastic(EnergyDistribution):
     def threshold(self):
         return self._threshold
 
-    @property
-    def mass_ratio(self):
-        return self._mass_ratio
-
     @threshold.setter
     def threshold(self, threshold):
         cv.check_type('level inelastic threhsold', threshold, Real)
         self._threshold = threshold
 
+    @property
+    def mass_ratio(self):
+        return self._mass_ratio
+
     @mass_ratio.setter
     def mass_ratio(self, mass_ratio):
         cv.check_type('level inelastic mass ratio', mass_ratio, Real)
@@ -1029,36 +1028,36 @@ class ContinuousTabular(EnergyDistribution):
     def breakpoints(self):
         return self._breakpoints
 
-    @property
-    def interpolation(self):
-        return self._interpolation
-
-    @property
-    def energy(self):
-        return self._energy
-
-    @property
-    def energy_out(self):
-        return self._energy_out
-
     @breakpoints.setter
     def breakpoints(self, breakpoints):
         cv.check_type('continuous tabular breakpoints', breakpoints,
                       Iterable, Integral)
         self._breakpoints = breakpoints
 
+    @property
+    def interpolation(self):
+        return self._interpolation
+
     @interpolation.setter
     def interpolation(self, interpolation):
         cv.check_type('continuous tabular interpolation', interpolation,
                       Iterable, Integral)
         self._interpolation = interpolation
 
+    @property
+    def energy(self):
+        return self._energy
+
     @energy.setter
     def energy(self, energy):
         cv.check_type('continuous tabular incoming energy', energy,
                       Iterable, Real)
         self._energy = energy
 
+    @property
+    def energy_out(self):
+        return self._energy_out
+
     @energy_out.setter
     def energy_out(self, energy_out):
         cv.check_type('continuous tabular outgoing energy', energy_out,
diff --git a/openmc/data/fission_energy.py b/openmc/data/fission_energy.py
index bdce84ff7..870881dba 100644
--- a/openmc/data/fission_energy.py
+++ b/openmc/data/fission_energy.py
@@ -100,30 +100,65 @@ class FissionEnergyRelease(EqualityMixin):
     def fragments(self):
         return self._fragments
 
+    @fragments.setter
+    def fragments(self, energy_release):
+        cv.check_type('fragments', energy_release, Callable)
+        self._fragments = energy_release
+
     @property
     def prompt_neutrons(self):
         return self._prompt_neutrons
 
+    @prompt_neutrons.setter
+    def prompt_neutrons(self, energy_release):
+        cv.check_type('prompt_neutrons', energy_release, Callable)
+        self._prompt_neutrons = energy_release
+
     @property
     def delayed_neutrons(self):
         return self._delayed_neutrons
 
+    @delayed_neutrons.setter
+    def delayed_neutrons(self, energy_release):
+        cv.check_type('delayed_neutrons', energy_release, Callable)
+        self._delayed_neutrons = energy_release
+
     @property
     def prompt_photons(self):
         return self._prompt_photons
 
+    @prompt_photons.setter
+    def prompt_photons(self, energy_release):
+        cv.check_type('prompt_photons', energy_release, Callable)
+        self._prompt_photons = energy_release
+
     @property
     def delayed_photons(self):
         return self._delayed_photons
 
+    @delayed_photons.setter
+    def delayed_photons(self, energy_release):
+        cv.check_type('delayed_photons', energy_release, Callable)
+        self._delayed_photons = energy_release
+
     @property
     def betas(self):
         return self._betas
 
+    @betas.setter
+    def betas(self, energy_release):
+        cv.check_type('betas', energy_release, Callable)
+        self._betas = energy_release
+
     @property
     def neutrinos(self):
         return self._neutrinos
 
+    @neutrinos.setter
+    def neutrinos(self, energy_release):
+        cv.check_type('neutrinos', energy_release, Callable)
+        self._neutrinos = energy_release
+
     @property
     def recoverable(self):
         components = ['fragments', 'prompt_neutrons', 'delayed_neutrons',
@@ -154,41 +189,6 @@ class FissionEnergyRelease(EqualityMixin):
         # Use a polynomial to subtract incident energy.
         return sum_functions([self.total, Polynomial((0.0, -1.0))])
 
-    @fragments.setter
-    def fragments(self, energy_release):
-        cv.check_type('fragments', energy_release, Callable)
-        self._fragments = energy_release
-
-    @prompt_neutrons.setter
-    def prompt_neutrons(self, energy_release):
-        cv.check_type('prompt_neutrons', energy_release, Callable)
-        self._prompt_neutrons = energy_release
-
-    @delayed_neutrons.setter
-    def delayed_neutrons(self, energy_release):
-        cv.check_type('delayed_neutrons', energy_release, Callable)
-        self._delayed_neutrons = energy_release
-
-    @prompt_photons.setter
-    def prompt_photons(self, energy_release):
-        cv.check_type('prompt_photons', energy_release, Callable)
-        self._prompt_photons = energy_release
-
-    @delayed_photons.setter
-    def delayed_photons(self, energy_release):
-        cv.check_type('delayed_photons', energy_release, Callable)
-        self._delayed_photons = energy_release
-
-    @betas.setter
-    def betas(self, energy_release):
-        cv.check_type('betas', energy_release, Callable)
-        self._betas = energy_release
-
-    @neutrinos.setter
-    def neutrinos(self, energy_release):
-        cv.check_type('neutrinos', energy_release, Callable)
-        self._neutrinos = energy_release
-
     @classmethod
     def from_endf(cls, ev, incident_neutron):
         """Generate fission energy release data from an ENDF file.
diff --git a/openmc/data/function.py b/openmc/data/function.py
index b0390d19c..299924b37 100644
--- a/openmc/data/function.py
+++ b/openmc/data/function.py
@@ -255,18 +255,38 @@ class Tabulated1D(Function1D):
     def x(self):
         return self._x
 
+    @x.setter
+    def x(self, x):
+        cv.check_type('x values', x, Iterable, Real)
+        self._x = x
+
     @property
     def y(self):
         return self._y
 
+    @y.setter
+    def y(self, y):
+        cv.check_type('y values', y, Iterable, Real)
+        self._y = y
+
     @property
     def breakpoints(self):
         return self._breakpoints
 
+    @breakpoints.setter
+    def breakpoints(self, breakpoints):
+        cv.check_type('breakpoints', breakpoints, Iterable, Integral)
+        self._breakpoints = breakpoints
+
     @property
     def interpolation(self):
         return self._interpolation
 
+    @interpolation.setter
+    def interpolation(self, interpolation):
+        cv.check_type('interpolation', interpolation, Iterable, Integral)
+        self._interpolation = interpolation
+
     @property
     def n_pairs(self):
         return len(self.x)
@@ -275,26 +295,6 @@ class Tabulated1D(Function1D):
     def n_regions(self):
         return len(self.breakpoints)
 
-    @x.setter
-    def x(self, x):
-        cv.check_type('x values', x, Iterable, Real)
-        self._x = x
-
-    @y.setter
-    def y(self, y):
-        cv.check_type('y values', y, Iterable, Real)
-        self._y = y
-
-    @breakpoints.setter
-    def breakpoints(self, breakpoints):
-        cv.check_type('breakpoints', breakpoints, Iterable, Integral)
-        self._breakpoints = breakpoints
-
-    @interpolation.setter
-    def interpolation(self, interpolation):
-        cv.check_type('interpolation', interpolation, Iterable, Integral)
-        self._interpolation = interpolation
-
     def integral(self):
         """Integral of the tabulated function over its tabulated range.
 
@@ -664,15 +664,15 @@ class Regions1D(EqualityMixin):
     def functions(self):
         return self._functions
 
-    @property
-    def breakpoints(self):
-        return self._breakpoints
-
     @functions.setter
     def functions(self, functions):
         cv.check_type('functions', functions, Iterable, Callable)
         self._functions = functions
 
+    @property
+    def breakpoints(self):
+        return self._breakpoints
+
     @breakpoints.setter
     def breakpoints(self, breakpoints):
         cv.check_iterable_type('breakpoints', breakpoints, Real)
@@ -734,24 +734,24 @@ class ResonancesWithBackground(EqualityMixin):
     def background(self):
         return self._background
 
-    @property
-    def mt(self):
-        return self._mt
-
-    @property
-    def resonances(self):
-        return self._resonances
-
     @background.setter
     def background(self, background):
         cv.check_type('background cross section', background, Callable)
         self._background = background
 
+    @property
+    def mt(self):
+        return self._mt
+
     @mt.setter
     def mt(self, mt):
         cv.check_type('MT value', mt, Integral)
         self._mt = mt
 
+    @property
+    def resonances(self):
+        return self._resonances
+
     @resonances.setter
     def resonances(self, resonances):
         cv.check_type('resolved resonance parameters', resonances,
diff --git a/openmc/data/kalbach_mann.py b/openmc/data/kalbach_mann.py
index f98bb4186..b49399139 100644
--- a/openmc/data/kalbach_mann.py
+++ b/openmc/data/kalbach_mann.py
@@ -302,56 +302,56 @@ class KalbachMann(AngleEnergy):
     def breakpoints(self):
         return self._breakpoints
 
-    @property
-    def interpolation(self):
-        return self._interpolation
-
-    @property
-    def energy(self):
-        return self._energy
-
-    @property
-    def energy_out(self):
-        return self._energy_out
-
-    @property
-    def precompound(self):
-        return self._precompound
-
-    @property
-    def slope(self):
-        return self._slope
-
     @breakpoints.setter
     def breakpoints(self, breakpoints):
         cv.check_type('Kalbach-Mann breakpoints', breakpoints,
                       Iterable, Integral)
         self._breakpoints = breakpoints
 
+    @property
+    def interpolation(self):
+        return self._interpolation
+
     @interpolation.setter
     def interpolation(self, interpolation):
         cv.check_type('Kalbach-Mann interpolation', interpolation,
                       Iterable, Integral)
         self._interpolation = interpolation
 
+    @property
+    def energy(self):
+        return self._energy
+
     @energy.setter
     def energy(self, energy):
         cv.check_type('Kalbach-Mann incoming energy', energy,
                       Iterable, Real)
         self._energy = energy
 
+    @property
+    def energy_out(self):
+        return self._energy_out
+
     @energy_out.setter
     def energy_out(self, energy_out):
         cv.check_type('Kalbach-Mann distributions', energy_out,
                       Iterable, Univariate)
         self._energy_out = energy_out
 
+    @property
+    def precompound(self):
+        return self._precompound
+
     @precompound.setter
     def precompound(self, precompound):
         cv.check_type('Kalbach-Mann precompound factor', precompound,
                       Iterable, Tabulated1D)
         self._precompound = precompound
 
+    @property
+    def slope(self):
+        return self._slope
+
     @slope.setter
     def slope(self, slope):
         cv.check_type('Kalbach-Mann slope', slope, Iterable, Tabulated1D)
diff --git a/openmc/data/laboratory.py b/openmc/data/laboratory.py
index 87d9d2961..c20b45968 100644
--- a/openmc/data/laboratory.py
+++ b/openmc/data/laboratory.py
@@ -54,45 +54,46 @@ class LaboratoryAngleEnergy(AngleEnergy):
     def breakpoints(self):
         return self._breakpoints
 
-    @property
-    def interpolation(self):
-        return self._interpolation
-    @property
-    def energy(self):
-        return self._energy
-
-    @property
-    def mu(self):
-        return self._mu
-
-    @property
-    def energy_out(self):
-        return self._energy_out
-
     @breakpoints.setter
     def breakpoints(self, breakpoints):
         cv.check_type('laboratory angle-energy breakpoints', breakpoints,
                       Iterable, Integral)
         self._breakpoints = breakpoints
 
+    @property
+    def interpolation(self):
+        return self._interpolation
+
     @interpolation.setter
     def interpolation(self, interpolation):
         cv.check_type('laboratory angle-energy interpolation', interpolation,
                       Iterable, Integral)
         self._interpolation = interpolation
 
+    @property
+    def energy(self):
+        return self._energy
+
     @energy.setter
     def energy(self, energy):
         cv.check_type('laboratory angle-energy incoming energy', energy,
                       Iterable, Real)
         self._energy = energy
 
+    @property
+    def mu(self):
+        return self._mu
+
     @mu.setter
     def mu(self, mu):
         cv.check_type('laboratory angle-energy outgoing cosine', mu,
                       Iterable, Univariate)
         self._mu = mu
 
+    @property
+    def energy_out(self):
+        return self._energy_out
+
     @energy_out.setter
     def energy_out(self, energy_out):
         cv.check_iterable_type('laboratory angle-energy outgoing energy',
diff --git a/openmc/data/multipole.py b/openmc/data/multipole.py
index 5e2279902..9fd6c9a9b 100644
--- a/openmc/data/multipole.py
+++ b/openmc/data/multipole.py
@@ -799,6 +799,11 @@ class WindowedMultipole(EqualityMixin):
     def name(self):
         return self._name
 
+    @name.setter
+    def name(self, name):
+        cv.check_type('name', name, str)
+        self._name = name
+
     @property
     def fit_order(self):
         return self.curvefit.shape[1] - 1
@@ -823,39 +828,6 @@ class WindowedMultipole(EqualityMixin):
     def spacing(self):
         return self._spacing
 
-    @property
-    def sqrtAWR(self):
-        return self._sqrtAWR
-
-    @property
-    def E_min(self):
-        return self._E_min
-
-    @property
-    def E_max(self):
-        return self._E_max
-
-    @property
-    def data(self):
-        return self._data
-
-    @property
-    def windows(self):
-        return self._windows
-
-    @property
-    def broaden_poly(self):
-        return self._broaden_poly
-
-    @property
-    def curvefit(self):
-        return self._curvefit
-
-    @name.setter
-    def name(self, name):
-        cv.check_type('name', name, str)
-        self._name = name
-
     @spacing.setter
     def spacing(self, spacing):
         if spacing is not None:
@@ -863,6 +835,10 @@ class WindowedMultipole(EqualityMixin):
             cv.check_greater_than('spacing', spacing, 0.0, equality=False)
         self._spacing = spacing
 
+    @property
+    def sqrtAWR(self):
+        return self._sqrtAWR
+
     @sqrtAWR.setter
     def sqrtAWR(self, sqrtAWR):
         if sqrtAWR is not None:
@@ -870,6 +846,10 @@ class WindowedMultipole(EqualityMixin):
             cv.check_greater_than('sqrtAWR', sqrtAWR, 0.0, equality=False)
         self._sqrtAWR = sqrtAWR
 
+    @property
+    def E_min(self):
+        return self._E_min
+
     @E_min.setter
     def E_min(self, E_min):
         if E_min is not None:
@@ -877,6 +857,10 @@ class WindowedMultipole(EqualityMixin):
             cv.check_greater_than('E_min', E_min, 0.0, equality=True)
         self._E_min = E_min
 
+    @property
+    def E_max(self):
+        return self._E_max
+
     @E_max.setter
     def E_max(self, E_max):
         if E_max is not None:
@@ -884,6 +868,10 @@ class WindowedMultipole(EqualityMixin):
             cv.check_greater_than('E_max', E_max, 0.0, equality=False)
         self._E_max = E_max
 
+    @property
+    def data(self):
+        return self._data
+
     @data.setter
     def data(self, data):
         if data is not None:
@@ -899,6 +887,10 @@ class WindowedMultipole(EqualityMixin):
                 raise TypeError('Multipole data arrays must be complex dtype')
         self._data = data
 
+    @property
+    def windows(self):
+        return self._windows
+
     @windows.setter
     def windows(self, windows):
         if windows is not None:
@@ -910,6 +902,10 @@ class WindowedMultipole(EqualityMixin):
                                 ' dtype')
         self._windows = windows
 
+    @property
+    def broaden_poly(self):
+        return self._broaden_poly
+
     @broaden_poly.setter
     def broaden_poly(self, broaden_poly):
         if broaden_poly is not None:
@@ -921,6 +917,10 @@ class WindowedMultipole(EqualityMixin):
                                 ' dtype')
         self._broaden_poly = broaden_poly
 
+    @property
+    def curvefit(self):
+        return self._curvefit
+
     @curvefit.setter
     def curvefit(self, curvefit):
         if curvefit is not None:
diff --git a/openmc/data/nbody.py b/openmc/data/nbody.py
index 4db9934b9..1f2ff5b4d 100644
--- a/openmc/data/nbody.py
+++ b/openmc/data/nbody.py
@@ -43,18 +43,6 @@ class NBodyPhaseSpace(AngleEnergy):
     def total_mass(self):
         return self._total_mass
 
-    @property
-    def n_particles(self):
-        return self._n_particles
-
-    @property
-    def atomic_weight_ratio(self):
-        return self._atomic_weight_ratio
-
-    @property
-    def q_value(self):
-        return self._q_value
-
     @total_mass.setter
     def total_mass(self, total_mass):
         name = 'N-body phase space total mass'
@@ -62,6 +50,10 @@ class NBodyPhaseSpace(AngleEnergy):
         cv.check_greater_than(name, total_mass, 0.)
         self._total_mass = total_mass
 
+    @property
+    def n_particles(self):
+        return self._n_particles
+
     @n_particles.setter
     def n_particles(self, n_particles):
         name = 'N-body phase space number of particles'
@@ -69,6 +61,10 @@ class NBodyPhaseSpace(AngleEnergy):
         cv.check_greater_than(name, n_particles, 0)
         self._n_particles = n_particles
 
+    @property
+    def atomic_weight_ratio(self):
+        return self._atomic_weight_ratio
+
     @atomic_weight_ratio.setter
     def atomic_weight_ratio(self, atomic_weight_ratio):
         name = 'N-body phase space atomic weight ratio'
@@ -76,6 +72,10 @@ class NBodyPhaseSpace(AngleEnergy):
         cv.check_greater_than(name, atomic_weight_ratio, 0.0)
         self._atomic_weight_ratio = atomic_weight_ratio
 
+    @property
+    def q_value(self):
+        return self._q_value
+
     @q_value.setter
     def q_value(self, q_value):
         name = 'N-body phase space Q value'
diff --git a/openmc/data/neutron.py b/openmc/data/neutron.py
index 2d4c13963..11d1456f8 100644
--- a/openmc/data/neutron.py
+++ b/openmc/data/neutron.py
@@ -135,54 +135,14 @@ class IncidentNeutron(EqualityMixin):
     def name(self):
         return self._name
 
-    @property
-    def atomic_number(self):
-        return self._atomic_number
-
-    @property
-    def mass_number(self):
-        return self._mass_number
-
-    @property
-    def metastable(self):
-        return self._metastable
-
-    @property
-    def atomic_weight_ratio(self):
-        return self._atomic_weight_ratio
-
-    @property
-    def fission_energy(self):
-        return self._fission_energy
-
-    @property
-    def reactions(self):
-        return self._reactions
-
-    @property
-    def resonances(self):
-        return self._resonances
-
-    @property
-    def resonance_covariance(self):
-        return self._resonance_covariance
-
-    @property
-    def urr(self):
-        return self._urr
-
-    @property
-    def temperatures(self):
-        return ["{}K".format(int(round(kT / K_BOLTZMANN))) for kT in self.kTs]
-
     @name.setter
     def name(self, name):
         cv.check_type('name', name, str)
         self._name = name
 
     @property
-    def atomic_symbol(self):
-        return ATOMIC_SYMBOL[self.atomic_number]
+    def atomic_number(self):
+        return self._atomic_number
 
     @atomic_number.setter
     def atomic_number(self, atomic_number):
@@ -190,46 +150,78 @@ class IncidentNeutron(EqualityMixin):
         cv.check_greater_than('atomic number', atomic_number, 0, True)
         self._atomic_number = atomic_number
 
+    @property
+    def mass_number(self):
+        return self._mass_number
+
     @mass_number.setter
     def mass_number(self, mass_number):
         cv.check_type('mass number', mass_number, Integral)
         cv.check_greater_than('mass number', mass_number, 0, True)
         self._mass_number = mass_number
 
+    @property
+    def metastable(self):
+        return self._metastable
+
     @metastable.setter
     def metastable(self, metastable):
         cv.check_type('metastable', metastable, Integral)
         cv.check_greater_than('metastable', metastable, 0, True)
         self._metastable = metastable
 
+    @property
+    def atomic_weight_ratio(self):
+        return self._atomic_weight_ratio
+
     @atomic_weight_ratio.setter
     def atomic_weight_ratio(self, atomic_weight_ratio):
         cv.check_type('atomic weight ratio', atomic_weight_ratio, Real)
         cv.check_greater_than('atomic weight ratio', atomic_weight_ratio, 0.0)
         self._atomic_weight_ratio = atomic_weight_ratio
 
+    @property
+    def fission_energy(self):
+        return self._fission_energy
+
     @fission_energy.setter
     def fission_energy(self, fission_energy):
         cv.check_type('fission energy release', fission_energy,
                       FissionEnergyRelease)
         self._fission_energy = fission_energy
 
+    @property
+    def reactions(self):
+        return self._reactions
+
     @reactions.setter
     def reactions(self, reactions):
         cv.check_type('reactions', reactions, Mapping)
         self._reactions = reactions
 
+    @property
+    def resonances(self):
+        return self._resonances
+
     @resonances.setter
     def resonances(self, resonances):
         cv.check_type('resonances', resonances, res.Resonances)
         self._resonances = resonances
 
+    @property
+    def resonance_covariance(self):
+        return self._resonance_covariance
+
     @resonance_covariance.setter
     def resonance_covariance(self, resonance_covariance):
         cv.check_type('resonance covariance', resonance_covariance,
                       res_cov.ResonanceCovariances)
         self._resonance_covariance = resonance_covariance
 
+    @property
+    def urr(self):
+        return self._urr
+
     @urr.setter
     def urr(self, urr):
         cv.check_type('probability table dictionary', urr, MutableMapping)
@@ -238,6 +230,14 @@ class IncidentNeutron(EqualityMixin):
             cv.check_type('probability tables', value, ProbabilityTables)
         self._urr = urr
 
+    @property
+    def temperatures(self):
+        return ["{}K".format(int(round(kT / K_BOLTZMANN))) for kT in self.kTs]
+
+    @property
+    def atomic_symbol(self):
+        return ATOMIC_SYMBOL[self.atomic_number]
+
     def add_temperature_from_ace(self, ace_or_filename, metastable_scheme='nndc'):
         """Append data from an ACE file at a different temperature.
 
diff --git a/openmc/data/photon.py b/openmc/data/photon.py
index e83ff844d..1d2546f0e 100644
--- a/openmc/data/photon.py
+++ b/openmc/data/photon.py
@@ -168,18 +168,6 @@ class AtomicRelaxation(EqualityMixin):
     def binding_energy(self):
         return self._binding_energy
 
-    @property
-    def num_electrons(self):
-        return self._num_electrons
-
-    @property
-    def subshells(self):
-        return list(sorted(self.binding_energy.keys()))
-
-    @property
-    def transitions(self):
-        return self._transitions
-
     @binding_energy.setter
     def binding_energy(self, binding_energy):
         cv.check_type('binding energies', binding_energy, Mapping)
@@ -189,6 +177,10 @@ class AtomicRelaxation(EqualityMixin):
             cv.check_greater_than('binding energy', energy, 0.0, True)
         self._binding_energy = binding_energy
 
+    @property
+    def num_electrons(self):
+        return self._num_electrons
+
     @num_electrons.setter
     def num_electrons(self, num_electrons):
         cv.check_type('number of electrons', num_electrons, Mapping)
@@ -198,6 +190,14 @@ class AtomicRelaxation(EqualityMixin):
             cv.check_greater_than('number of electrons', num, 0.0, True)
         self._num_electrons = num_electrons
 
+    @property
+    def subshells(self):
+        return list(sorted(self.binding_energy.keys()))
+
+    @property
+    def transitions(self):
+        return self._transitions
+
     @transitions.setter
     def transitions(self, transitions):
         cv.check_type('transitions', transitions, Mapping)
@@ -464,26 +464,26 @@ class IncidentPhoton(EqualityMixin):
     def atomic_number(self):
         return self._atomic_number
 
-    @property
-    def atomic_relaxation(self):
-        return self._atomic_relaxation
-
-    @property
-    def name(self):
-        return ATOMIC_SYMBOL[self.atomic_number]
-
     @atomic_number.setter
     def atomic_number(self, atomic_number):
         cv.check_type('atomic number', atomic_number, Integral)
         cv.check_greater_than('atomic number', atomic_number, 0, True)
         self._atomic_number = atomic_number
 
+    @property
+    def atomic_relaxation(self):
+        return self._atomic_relaxation
+
     @atomic_relaxation.setter
     def atomic_relaxation(self, atomic_relaxation):
         cv.check_type('atomic relaxation data', atomic_relaxation,
                       AtomicRelaxation)
         self._atomic_relaxation = atomic_relaxation
 
+    @property
+    def name(self):
+        return ATOMIC_SYMBOL[self.atomic_number]
+
     @classmethod
     def from_ace(cls, ace_or_filename):
         """Generate incident photon data from an ACE table
@@ -934,35 +934,35 @@ class PhotonReaction(EqualityMixin):
     def anomalous_real(self):
         return self._anomalous_real
 
-    @property
-    def anomalous_imag(self):
-        return self._anomalous_imag
-
-    @property
-    def scattering_factor(self):
-        return self._scattering_factor
-
-    @property
-    def xs(self):
-        return self._xs
-
     @anomalous_real.setter
     def anomalous_real(self, anomalous_real):
         cv.check_type('real part of anomalous scattering factor',
                       anomalous_real, Callable)
         self._anomalous_real = anomalous_real
 
+    @property
+    def anomalous_imag(self):
+        return self._anomalous_imag
+
     @anomalous_imag.setter
     def anomalous_imag(self, anomalous_imag):
         cv.check_type('imaginary part of anomalous scattering factor',
                       anomalous_imag, Callable)
         self._anomalous_imag = anomalous_imag
 
+    @property
+    def scattering_factor(self):
+        return self._scattering_factor
+
     @scattering_factor.setter
     def scattering_factor(self, scattering_factor):
         cv.check_type('scattering factor', scattering_factor, Callable)
         self._scattering_factor = scattering_factor
 
+    @property
+    def xs(self):
+        return self._xs
+
     @xs.setter
     def xs(self, xs):
         cv.check_type('reaction cross section', xs, Callable)
diff --git a/openmc/data/product.py b/openmc/data/product.py
index a6b2fd89e..93697a9e7 100644
--- a/openmc/data/product.py
+++ b/openmc/data/product.py
@@ -61,55 +61,55 @@ class Product(EqualityMixin):
     def applicability(self):
         return self._applicability
 
-    @property
-    def decay_rate(self):
-        return self._decay_rate
-
-    @property
-    def distribution(self):
-        return self._distribution
-
-    @property
-    def emission_mode(self):
-        return self._emission_mode
-
-    @property
-    def particle(self):
-        return self._particle
-
-    @property
-    def yield_(self):
-        return self._yield
-
     @applicability.setter
     def applicability(self, applicability):
         cv.check_type('product distribution applicability', applicability,
                       Iterable, Tabulated1D)
         self._applicability = applicability
 
+    @property
+    def decay_rate(self):
+        return self._decay_rate
+
     @decay_rate.setter
     def decay_rate(self, decay_rate):
         cv.check_type('product decay rate', decay_rate, Real)
         cv.check_greater_than('product decay rate', decay_rate, 0.0, True)
         self._decay_rate = decay_rate
 
+    @property
+    def distribution(self):
+        return self._distribution
+
     @distribution.setter
     def distribution(self, distribution):
         cv.check_type('product angle-energy distribution', distribution,
                       Iterable, AngleEnergy)
         self._distribution = distribution
 
+    @property
+    def emission_mode(self):
+        return self._emission_mode
+
     @emission_mode.setter
     def emission_mode(self, emission_mode):
         cv.check_value('product emission mode', emission_mode,
                        ('prompt', 'delayed', 'total'))
         self._emission_mode = emission_mode
 
+    @property
+    def particle(self):
+        return self._particle
+
     @particle.setter
     def particle(self, particle):
         cv.check_type('product particle type', particle, str)
         self._particle = particle
 
+    @property
+    def yield_(self):
+        return self._yield
+
     @yield_.setter
     def yield_(self, yield_):
         cv.check_type('product yield', yield_, Function1D)
diff --git a/openmc/data/reaction.py b/openmc/data/reaction.py
index ac9d7f14e..650e8663e 100644
--- a/openmc/data/reaction.py
+++ b/openmc/data/reaction.py
@@ -855,52 +855,52 @@ class Reaction(EqualityMixin):
     def center_of_mass(self):
         return self._center_of_mass
 
-    @property
-    def redundant(self):
-        return self._redundant
-
-    @property
-    def q_value(self):
-        return self._q_value
-
-    @property
-    def products(self):
-        return self._products
-
-    @property
-    def derived_products(self):
-        return self._derived_products
-
-    @property
-    def xs(self):
-        return self._xs
-
     @center_of_mass.setter
     def center_of_mass(self, center_of_mass):
         cv.check_type('center of mass', center_of_mass, (bool, np.bool_))
         self._center_of_mass = center_of_mass
 
+    @property
+    def redundant(self):
+        return self._redundant
+
     @redundant.setter
     def redundant(self, redundant):
         cv.check_type('redundant', redundant, (bool, np.bool_))
         self._redundant = redundant
 
+    @property
+    def q_value(self):
+        return self._q_value
+
     @q_value.setter
     def q_value(self, q_value):
         cv.check_type('Q value', q_value, Real)
         self._q_value = q_value
 
+    @property
+    def products(self):
+        return self._products
+
     @products.setter
     def products(self, products):
         cv.check_type('reaction products', products, Iterable, Product)
         self._products = products
 
+    @property
+    def derived_products(self):
+        return self._derived_products
+
     @derived_products.setter
     def derived_products(self, derived_products):
         cv.check_type('reaction derived products', derived_products,
                       Iterable, Product)
         self._derived_products = derived_products
 
+    @property
+    def xs(self):
+        return self._xs
+
     @xs.setter
     def xs(self, xs):
         cv.check_type('reaction cross section dictionary', xs, MutableMapping)
diff --git a/openmc/data/resonance.py b/openmc/data/resonance.py
index 7d27ea7cc..7b9cd268f 100644
--- a/openmc/data/resonance.py
+++ b/openmc/data/resonance.py
@@ -46,6 +46,12 @@ class Resonances:
     def ranges(self):
         return self._ranges
 
+    @ranges.setter
+    def ranges(self, ranges):
+        cv.check_type('resonance ranges', ranges, MutableSequence)
+        self._ranges = cv.CheckedList(ResonanceRange, 'resonance ranges',
+                                      ranges)
+
     @property
     def resolved(self):
         resolved_ranges = [r for r in self.ranges
@@ -65,12 +71,6 @@ class Resonances:
         else:
             return None
 
-    @ranges.setter
-    def ranges(self, ranges):
-        cv.check_type('resonance ranges', ranges, MutableSequence)
-        self._ranges = cv.CheckedList(ResonanceRange, 'resonance ranges',
-                                      ranges)
-
     @classmethod
     def from_endf(cls, ev):
         """Generate resonance data from an ENDF evaluation.
diff --git a/openmc/data/thermal.py b/openmc/data/thermal.py
index 48f6bfc9b..b6e700a0c 100644
--- a/openmc/data/thermal.py
+++ b/openmc/data/thermal.py
@@ -193,15 +193,15 @@ class CoherentElastic(Function1D):
     def bragg_edges(self):
         return self._bragg_edges
 
-    @property
-    def factors(self):
-        return self._factors
-
     @bragg_edges.setter
     def bragg_edges(self, bragg_edges):
         cv.check_type('Bragg edges', bragg_edges, Iterable, Real)
         self._bragg_edges = np.asarray(bragg_edges)
 
+    @property
+    def factors(self):
+        return self._factors
+
     @factors.setter
     def factors(self, factors):
         cv.check_type('structure factor cumulative sums', factors,
diff --git a/openmc/data/uncorrelated.py b/openmc/data/uncorrelated.py
index 0361c9b37..9dcb18bf6 100644
--- a/openmc/data/uncorrelated.py
+++ b/openmc/data/uncorrelated.py
@@ -38,16 +38,16 @@ class UncorrelatedAngleEnergy(AngleEnergy):
     def angle(self):
         return self._angle
 
-    @property
-    def energy(self):
-        return self._energy
-
     @angle.setter
     def angle(self, angle):
         cv.check_type('uncorrelated angle distribution', angle,
                       AngleDistribution)
         self._angle = angle
 
+    @property
+    def energy(self):
+        return self._energy
+
     @energy.setter
     def energy(self, energy):
         cv.check_type('uncorrelated energy distribution', energy,
diff --git a/openmc/data/urr.py b/openmc/data/urr.py
index 53961a50a..f129c98f8 100644
--- a/openmc/data/urr.py
+++ b/openmc/data/urr.py
@@ -79,51 +79,51 @@ class ProbabilityTables(EqualityMixin):
     def absorption_flag(self):
         return self._absorption_flag
 
-    @property
-    def energy(self):
-        return self._energy
-
-    @property
-    def inelastic_flag(self):
-        return self._inelastic_flag
-
-    @property
-    def interpolation(self):
-        return self._interpolation
-
-    @property
-    def multiply_smooth(self):
-        return self._multiply_smooth
-
-    @property
-    def table(self):
-        return self._table
-
     @absorption_flag.setter
     def absorption_flag(self, absorption_flag):
         cv.check_type('absorption flag', absorption_flag, Integral)
         self._absorption_flag = absorption_flag
 
+    @property
+    def energy(self):
+        return self._energy
+
     @energy.setter
     def energy(self, energy):
         cv.check_type('probability table energies', energy, Iterable, Real)
         self._energy = energy
 
+    @property
+    def inelastic_flag(self):
+        return self._inelastic_flag
+
     @inelastic_flag.setter
     def inelastic_flag(self, inelastic_flag):
         cv.check_type('inelastic flag', inelastic_flag, Integral)
         self._inelastic_flag = inelastic_flag
 
+    @property
+    def interpolation(self):
+        return self._interpolation
+
     @interpolation.setter
     def interpolation(self, interpolation):
         cv.check_value('interpolation', interpolation, [2, 5])
         self._interpolation = interpolation
 
+    @property
+    def multiply_smooth(self):
+        return self._multiply_smooth
+
     @multiply_smooth.setter
     def multiply_smooth(self, multiply_smooth):
         cv.check_type('multiply by smooth', multiply_smooth, bool)
         self._multiply_smooth = multiply_smooth
 
+    @property
+    def table(self):
+        return self._table
+
     @table.setter
     def table(self, table):
         cv.check_type('probability tables', table, np.ndarray)
diff --git a/openmc/filter.py b/openmc/filter.py
index 1ad289278..9b3dd5162 100644
--- a/openmc/filter.py
+++ b/openmc/filter.py
@@ -1575,6 +1575,11 @@ class DistribcellFilter(Filter):
     def paths(self):
         return self._paths
 
+    @paths.setter
+    def paths(self, paths):
+        cv.check_iterable_type('paths', paths, str)
+        self._paths = paths
+
     @Filter.bins.setter
     def bins(self, bins):
         # Format the bins as a 1D numpy array.
@@ -1593,11 +1598,6 @@ class DistribcellFilter(Filter):
 
         self._bins = bins
 
-    @paths.setter
-    def paths(self, paths):
-        cv.check_iterable_type('paths', paths, str)
-        self._paths = paths
-
     def can_merge(self, other):
         # Distribcell filters cannot have more than one bin
         return False
@@ -2060,22 +2060,6 @@ class EnergyFunctionFilter(Filter):
     def energy(self):
         return self._energy
 
-    @property
-    def y(self):
-        return self._y
-
-    @property
-    def interpolation(self):
-        return self._interpolation
-
-    @property
-    def bins(self):
-        raise AttributeError('EnergyFunctionFilters have no bins.')
-
-    @property
-    def num_bins(self):
-        return 1
-
     @energy.setter
     def energy(self, energy):
         # Format the bins as a 1D numpy array.
@@ -2088,6 +2072,10 @@ class EnergyFunctionFilter(Filter):
 
         self._energy = energy
 
+    @property
+    def y(self):
+        return self._y
+
     @y.setter
     def y(self, y):
         # Format the bins as a 1D numpy array.
@@ -2098,9 +2086,9 @@ class EnergyFunctionFilter(Filter):
 
         self._y = y
 
-    @bins.setter
-    def bins(self, bins):
-        raise RuntimeError('EnergyFunctionFilters have no bins.')
+    @property
+    def interpolation(self):
+        return self._interpolation
 
     @interpolation.setter
     def interpolation(self, val):
@@ -2115,6 +2103,18 @@ class EnergyFunctionFilter(Filter):
 
         self._interpolation = val
 
+    @property
+    def bins(self):
+        raise AttributeError('EnergyFunctionFilters have no bins.')
+
+    @bins.setter
+    def bins(self, bins):
+        raise RuntimeError('EnergyFunctionFilters have no bins.')
+
+    @property
+    def num_bins(self):
+        return 1
+
     def to_xml_element(self):
         """Return XML Element representing the Filter.
 
diff --git a/openmc/geometry.py b/openmc/geometry.py
index 9038895b8..d4e7aa201 100644
--- a/openmc/geometry.py
+++ b/openmc/geometry.py
@@ -57,6 +57,11 @@ class Geometry:
     def root_universe(self) -> openmc.UniverseBase:
         return self._root_universe
 
+    @root_universe.setter
+    def root_universe(self, root_universe):
+        check_type('root universe', root_universe, openmc.UniverseBase)
+        self._root_universe = root_universe
+
     @property
     def bounding_box(self) -> np.ndarray:
         return self.root_universe.bounding_box
@@ -65,20 +70,15 @@ class Geometry:
     def merge_surfaces(self) -> bool:
         return self._merge_surfaces
 
-    @property
-    def surface_precision(self) -> int:
-        return self._surface_precision
-
-    @root_universe.setter
-    def root_universe(self, root_universe):
-        check_type('root universe', root_universe, openmc.UniverseBase)
-        self._root_universe = root_universe
-
     @merge_surfaces.setter
     def merge_surfaces(self, merge_surfaces):
         check_type('merge surfaces', merge_surfaces, bool)
         self._merge_surfaces = merge_surfaces
 
+    @property
+    def surface_precision(self) -> int:
+        return self._surface_precision
+
     @surface_precision.setter
     def surface_precision(self, surface_precision):
         check_type('surface precision', surface_precision, int)
diff --git a/openmc/lattice.py b/openmc/lattice.py
index 37faaf00f..0983f6d0c 100644
--- a/openmc/lattice.py
+++ b/openmc/lattice.py
@@ -57,18 +57,6 @@ class Lattice(IDManagerMixin, ABC):
     def name(self):
         return self._name
 
-    @property
-    def pitch(self):
-        return self._pitch
-
-    @property
-    def outer(self):
-        return self._outer
-
-    @property
-    def universes(self):
-        return self._universes
-
     @name.setter
     def name(self, name):
         if name is not None:
@@ -77,11 +65,23 @@ class Lattice(IDManagerMixin, ABC):
         else:
             self._name = ''
 
+    @property
+    def pitch(self):
+        return self._pitch
+
+    @property
+    def outer(self):
+        return self._outer
+
     @outer.setter
     def outer(self, outer):
         cv.check_type('outer universe', outer, openmc.UniverseBase)
         self._outer = outer
 
+    @property
+    def universes(self):
+        return self._universes
+
     @staticmethod
     def from_hdf5(group, universes):
         """Create lattice from HDF5 group
@@ -460,6 +460,12 @@ class RectLattice(Lattice):
     def lower_left(self):
         return self._lower_left
 
+    @lower_left.setter
+    def lower_left(self, lower_left):
+        cv.check_type('lattice lower left corner', lower_left, Iterable, Real)
+        cv.check_length('lattice lower left corner', lower_left, 2, 3)
+        self._lower_left = lower_left
+
     @property
     def ndim(self):
         if self.pitch is not None:
@@ -472,12 +478,6 @@ class RectLattice(Lattice):
     def shape(self):
         return self._universes.shape[::-1]
 
-    @lower_left.setter
-    def lower_left(self, lower_left):
-        cv.check_type('lattice lower left corner', lower_left, Iterable, Real)
-        cv.check_length('lattice lower left corner', lower_left, 2, 3)
-        self._lower_left = lower_left
-
     @Lattice.pitch.setter
     def pitch(self, pitch):
         cv.check_type('lattice pitch', pitch, Iterable, Real)
@@ -1127,6 +1127,11 @@ class HexLattice(Lattice):
     @property
     def orientation(self):
         return self._orientation
+    
+    @orientation.setter
+    def orientation(self, orientation):
+        cv.check_value('orientation', orientation.lower(), ('x', 'y'))
+        self._orientation = orientation.lower()
 
     @property
     def num_axial(self):
@@ -1136,6 +1141,12 @@ class HexLattice(Lattice):
     def center(self):
         return self._center
 
+    @center.setter
+    def center(self, center):
+        cv.check_type('lattice center', center, Iterable, Real)
+        cv.check_length('lattice center', center, 2, 3)
+        self._center = center
+
     @property
     def indices(self):
         if self.num_axial is None:
@@ -1175,17 +1186,6 @@ class HexLattice(Lattice):
     def ndim(self):
         return 2 if isinstance(self.universes[0][0], openmc.UniverseBase) else 3
 
-    @center.setter
-    def center(self, center):
-        cv.check_type('lattice center', center, Iterable, Real)
-        cv.check_length('lattice center', center, 2, 3)
-        self._center = center
-
-    @orientation.setter
-    def orientation(self, orientation):
-        cv.check_value('orientation', orientation.lower(), ('x', 'y'))
-        self._orientation = orientation.lower()
-
     @Lattice.pitch.setter
     def pitch(self, pitch):
         cv.check_type('lattice pitch', pitch, Iterable, Real)
diff --git a/openmc/lib/plot.py b/openmc/lib/plot.py
index da42ea49e..d142d6cd2 100644
--- a/openmc/lib/plot.py
+++ b/openmc/lib/plot.py
@@ -96,14 +96,28 @@ class _PlotBase(Structure):
     def origin(self):
         return self.origin_
 
+    @origin.setter
+    def origin(self, origin):
+        self.origin_.x = origin[0]
+        self.origin_.y = origin[1]
+        self.origin_.z = origin[2]
+
     @property
     def width(self):
         return self.width_.x
 
+    @width.setter
+    def width(self, width):
+        self.width_.x = width
+
     @property
     def height(self):
         return self.width_.y
 
+    @height.setter
+    def height(self, height):
+        self.width_.y = height
+
     @property
     def basis(self):
         if self.basis_ == 1:
@@ -145,14 +159,26 @@ class _PlotBase(Structure):
     def h_res(self):
         return self.pixels_[0]
 
+    @h_res.setter
+    def h_res(self, h_res):
+        self.pixels_[0] = h_res
+
     @property
     def v_res(self):
         return self.pixels_[1]
 
+    @v_res.setter
+    def v_res(self, v_res):
+        self.pixels_[1] = v_res
+
     @property
     def level(self):
         return int(self.level_)
 
+    @level.setter
+    def level(self, level):
+        self.level_ = level
+
     @property
     def color_overlaps(self):
         return self.color_overlaps_
@@ -161,32 +187,6 @@ class _PlotBase(Structure):
     def color_overlaps(self, color_overlaps):
         self.color_overlaps_ = color_overlaps
 
-    @origin.setter
-    def origin(self, origin):
-        self.origin_.x = origin[0]
-        self.origin_.y = origin[1]
-        self.origin_.z = origin[2]
-
-    @width.setter
-    def width(self, width):
-        self.width_.x = width
-
-    @height.setter
-    def height(self, height):
-        self.width_.y = height
-
-    @h_res.setter
-    def h_res(self, h_res):
-        self.pixels_[0] = h_res
-
-    @v_res.setter
-    def v_res(self, v_res):
-        self.pixels_[1] = v_res
-
-    @level.setter
-    def level(self, level):
-        self.level_ = level
-
     @property
     def color_overlaps(self):
         return self.color_overlaps_
diff --git a/openmc/lib/tally.py b/openmc/lib/tally.py
index b8e048974..f327692e7 100644
--- a/openmc/lib/tally.py
+++ b/openmc/lib/tally.py
@@ -231,6 +231,10 @@ class Tally(_FortranObjectWithID):
         _dll.openmc_tally_get_active(self._index, active)
         return active.value
 
+    @active.setter
+    def active(self, active):
+        _dll.openmc_tally_set_active(self._index, active)
+
     @property
     def type(self):
         type = c_int32()
@@ -251,10 +255,6 @@ class Tally(_FortranObjectWithID):
     def estimator(self, estimator):
         _dll.openmc_tally_set_estimator(self._index, estimator.encode())
 
-    @active.setter
-    def active(self, active):
-        _dll.openmc_tally_set_active(self._index, active)
-
     @property
     def id(self):
         tally_id = c_int32()
diff --git a/openmc/material.py b/openmc/material.py
index 20041aa53..5f28535db 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -170,10 +170,25 @@ class Material(IDManagerMixin):
     def name(self) -> Optional[str]:
         return self._name
 
+    @name.setter
+    def name(self, name: Optional[str]):
+        if name is not None:
+            cv.check_type(f'name for Material ID="{self._id}"',
+                          name, str)
+            self._name = name
+        else:
+            self._name = ''
+
     @property
     def temperature(self) -> Optional[float]:
         return self._temperature
 
+    @temperature.setter
+    def temperature(self, temperature: Optional[Real]):
+        cv.check_type(f'Temperature for Material ID="{self._id}"',
+                      temperature, (Real, type(None)))
+        self._temperature = temperature
+
     @property
     def density(self) -> Optional[float]:
         return self._density
@@ -186,6 +201,12 @@ class Material(IDManagerMixin):
     def depletable(self) -> bool:
         return self._depletable
 
+    @depletable.setter
+    def depletable(self, depletable: bool):
+        cv.check_type(f'Depletable flag for Material ID="{self._id}"',
+                      depletable, bool)
+        self._depletable = depletable
+
     @property
     def paths(self) -> List[str]:
         if self._paths is None:
@@ -209,6 +230,12 @@ class Material(IDManagerMixin):
     def isotropic(self) -> List[str]:
         return self._isotropic
 
+    @isotropic.setter
+    def isotropic(self, isotropic: typing.Iterable[str]):
+        cv.check_iterable_type('Isotropic scattering nuclides', isotropic,
+                               str)
+        self._isotropic = list(isotropic)
+
     @property
     def average_molar_mass(self) -> float:
         # Using the sum of specified atomic or weight amounts as a basis, sum
@@ -230,42 +257,15 @@ class Material(IDManagerMixin):
     def volume(self) -> Optional[float]:
         return self._volume
 
-    @property
-    def ncrystal_cfg(self) -> Optional[str]:
-        return self._ncrystal_cfg
-
-    @name.setter
-    def name(self, name: Optional[str]):
-        if name is not None:
-            cv.check_type(f'name for Material ID="{self._id}"',
-                          name, str)
-            self._name = name
-        else:
-            self._name = ''
-
-    @temperature.setter
-    def temperature(self, temperature: Optional[Real]):
-        cv.check_type(f'Temperature for Material ID="{self._id}"',
-                      temperature, (Real, type(None)))
-        self._temperature = temperature
-
-    @depletable.setter
-    def depletable(self, depletable: bool):
-        cv.check_type(f'Depletable flag for Material ID="{self._id}"',
-                      depletable, bool)
-        self._depletable = depletable
-
     @volume.setter
     def volume(self, volume: Real):
         if volume is not None:
             cv.check_type('material volume', volume, Real)
         self._volume = volume
 
-    @isotropic.setter
-    def isotropic(self, isotropic: typing.Iterable[str]):
-        cv.check_iterable_type('Isotropic scattering nuclides', isotropic,
-                               str)
-        self._isotropic = list(isotropic)
+    @property
+    def ncrystal_cfg(self) -> Optional[str]:
+        return self._ncrystal_cfg
 
     @property
     def fissionable_mass(self) -> float:
diff --git a/openmc/mesh.py b/openmc/mesh.py
index 0a5dff643..f9eaff6d5 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -522,6 +522,12 @@ class RegularMesh(StructuredMesh):
     def dimension(self):
         return tuple(self._dimension)
 
+    @dimension.setter
+    def dimension(self, dimension):
+        cv.check_type('mesh dimension', dimension, Iterable, Integral)
+        cv.check_length('mesh dimension', dimension, 1, 3)
+        self._dimension = dimension
+
     @property
     def n_dimension(self):
         if self._dimension is not None:
@@ -533,6 +539,15 @@ class RegularMesh(StructuredMesh):
     def lower_left(self):
         return self._lower_left
 
+    @lower_left.setter
+    def lower_left(self, lower_left):
+        cv.check_type('mesh lower_left', lower_left, Iterable, Real)
+        cv.check_length('mesh lower_left', lower_left, 1, 3)
+        self._lower_left = lower_left
+
+        if self.upper_right is not None and any(np.isclose(self.upper_right, lower_left)):
+            raise ValueError("Mesh cannot have zero thickness in any dimension")
+
     @property
     def upper_right(self):
         if self._upper_right is not None:
@@ -544,6 +559,19 @@ class RegularMesh(StructuredMesh):
                 dims = self._dimension
                 return [l + w * d for l, w, d in zip(ls, ws, dims)]
 
+    @upper_right.setter
+    def upper_right(self, upper_right):
+        cv.check_type('mesh upper_right', upper_right, Iterable, Real)
+        cv.check_length('mesh upper_right', upper_right, 1, 3)
+        self._upper_right = upper_right
+
+        if self._width is not None:
+            self._width = None
+            warnings.warn("Unsetting width attribute.")
+
+        if self.lower_left is not None and any(np.isclose(self.lower_left, upper_right)):
+            raise ValueError("Mesh cannot have zero thickness in any dimension")
+
     @property
     def width(self):
         if self._width is not None:
@@ -555,6 +583,16 @@ class RegularMesh(StructuredMesh):
                 dims =  self._dimension
                 return [(u - l) / d for u, l, d in zip(us, ls, dims)]
 
+    @width.setter
+    def width(self, width):
+        cv.check_type('mesh width', width, Iterable, Real)
+        cv.check_length('mesh width', width, 1, 3)
+        self._width = width
+
+        if self._upper_right is not None:
+            self._upper_right = None
+            warnings.warn("Unsetting upper_right attribute.")
+
     @property
     def cartesian_vertices(self):
         """Returns vertices in cartesian coordiantes. Identical to ``vertices`` for RegularMesh and RectilinearMesh
@@ -626,44 +664,6 @@ class RegularMesh(StructuredMesh):
             np.array(self.lower_left), np.array(self.upper_right)
         )
 
-    @dimension.setter
-    def dimension(self, dimension):
-        cv.check_type('mesh dimension', dimension, Iterable, Integral)
-        cv.check_length('mesh dimension', dimension, 1, 3)
-        self._dimension = dimension
-
-    @lower_left.setter
-    def lower_left(self, lower_left):
-        cv.check_type('mesh lower_left', lower_left, Iterable, Real)
-        cv.check_length('mesh lower_left', lower_left, 1, 3)
-        self._lower_left = lower_left
-
-        if self.upper_right is not None and any(np.isclose(self.upper_right, lower_left)):
-            raise ValueError("Mesh cannot have zero thickness in any dimension")
-
-    @upper_right.setter
-    def upper_right(self, upper_right):
-        cv.check_type('mesh upper_right', upper_right, Iterable, Real)
-        cv.check_length('mesh upper_right', upper_right, 1, 3)
-        self._upper_right = upper_right
-
-        if self._width is not None:
-            self._width = None
-            warnings.warn("Unsetting width attribute.")
-
-        if self.lower_left is not None and any(np.isclose(self.lower_left, upper_right)):
-            raise ValueError("Mesh cannot have zero thickness in any dimension")
-
-    @width.setter
-    def width(self, width):
-        cv.check_type('mesh width', width, Iterable, Real)
-        cv.check_length('mesh width', width, 1, 3)
-        self._width = width
-
-        if self._upper_right is not None:
-            self._upper_right = None
-            warnings.warn("Unsetting upper_right attribute.")
-
     def __repr__(self):
         string = super().__repr__()
         string += '{0: <16}{1}{2}\n'.format('\tDimensions', '=\t', self.n_dimension)
@@ -1020,14 +1020,29 @@ class RectilinearMesh(StructuredMesh):
     def x_grid(self):
         return self._x_grid
 
+    @x_grid.setter
+    def x_grid(self, grid):
+        cv.check_type('mesh x_grid', grid, Iterable, Real)
+        self._x_grid = np.asarray(grid)
+
     @property
     def y_grid(self):
         return self._y_grid
 
+    @y_grid.setter
+    def y_grid(self, grid):
+        cv.check_type('mesh y_grid', grid, Iterable, Real)
+        self._y_grid = np.asarray(grid)
+
     @property
     def z_grid(self):
         return self._z_grid
 
+    @z_grid.setter
+    def z_grid(self, grid):
+        cv.check_type('mesh z_grid', grid, Iterable, Real)
+        self._z_grid = np.asarray(grid)
+
     @property
     def _grids(self):
         return (self.x_grid, self.y_grid, self.z_grid)
@@ -1069,21 +1084,6 @@ class RectilinearMesh(StructuredMesh):
                 for y in range(1, ny + 1)
                 for x in range(1, nx + 1))
 
-    @x_grid.setter
-    def x_grid(self, grid):
-        cv.check_type('mesh x_grid', grid, Iterable, Real)
-        self._x_grid = np.asarray(grid)
-
-    @y_grid.setter
-    def y_grid(self, grid):
-        cv.check_type('mesh y_grid', grid, Iterable, Real)
-        self._y_grid = np.asarray(grid)
-
-    @z_grid.setter
-    def z_grid(self, grid):
-        cv.check_type('mesh z_grid', grid, Iterable, Real)
-        self._z_grid = np.asarray(grid)
-
     def __repr__(self):
         fmt = '{0: <16}{1}{2}\n'
         string = super().__repr__()
@@ -1225,17 +1225,38 @@ class CylindricalMesh(StructuredMesh):
     def origin(self):
         return self._origin
 
+    @origin.setter
+    def origin(self, coords):
+        cv.check_type('mesh origin', coords, Iterable, Real)
+        cv.check_length("mesh origin", coords, 3)
+        self._origin = np.asarray(coords)
+
     @property
     def r_grid(self):
         return self._r_grid
 
+    @r_grid.setter
+    def r_grid(self, grid):
+        cv.check_type('mesh r_grid', grid, Iterable, Real)
+        self._r_grid = np.asarray(grid)
+
     @property
     def phi_grid(self):
         return self._phi_grid
 
+    @phi_grid.setter
+    def phi_grid(self, grid):
+        cv.check_type('mesh phi_grid', grid, Iterable, Real)
+        self._phi_grid = np.asarray(grid)
+
     @property
     def z_grid(self):
         return self._z_grid
+    
+    @z_grid.setter
+    def z_grid(self, grid):
+        cv.check_type('mesh z_grid', grid, Iterable, Real)
+        self._z_grid = np.asarray(grid)
 
     @property
     def _grids(self):
@@ -1251,27 +1272,6 @@ class CylindricalMesh(StructuredMesh):
                 for p in range(1, np + 1)
                 for r in range(1, nr + 1))
 
-    @origin.setter
-    def origin(self, coords):
-        cv.check_type('mesh origin', coords, Iterable, Real)
-        cv.check_length("mesh origin", coords, 3)
-        self._origin = np.asarray(coords)
-
-    @r_grid.setter
-    def r_grid(self, grid):
-        cv.check_type('mesh r_grid', grid, Iterable, Real)
-        self._r_grid = np.asarray(grid)
-
-    @phi_grid.setter
-    def phi_grid(self, grid):
-        cv.check_type('mesh phi_grid', grid, Iterable, Real)
-        self._phi_grid = np.asarray(grid)
-
-    @z_grid.setter
-    def z_grid(self, grid):
-        cv.check_type('mesh z_grid', grid, Iterable, Real)
-        self._z_grid = np.asarray(grid)
-
     def __repr__(self):
         fmt = '{0: <16}{1}{2}\n'
         string = super().__repr__()
@@ -1525,18 +1525,39 @@ class SphericalMesh(StructuredMesh):
     def origin(self):
         return self._origin
 
+    @origin.setter
+    def origin(self, coords):
+        cv.check_type('mesh origin', coords, Iterable, Real)
+        cv.check_length("mesh origin", coords, 3)
+        self._origin = np.asarray(coords)
+
     @property
     def r_grid(self):
         return self._r_grid
 
+    @r_grid.setter
+    def r_grid(self, grid):
+        cv.check_type('mesh r_grid', grid, Iterable, Real)
+        self._r_grid = np.asarray(grid)
+
     @property
     def theta_grid(self):
         return self._theta_grid
 
+    @theta_grid.setter
+    def theta_grid(self, grid):
+        cv.check_type('mesh theta_grid', grid, Iterable, Real)
+        self._theta_grid = np.asarray(grid)
+
     @property
     def phi_grid(self):
         return self._phi_grid
 
+    @phi_grid.setter
+    def phi_grid(self, grid):
+        cv.check_type('mesh phi_grid', grid, Iterable, Real)
+        self._phi_grid = np.asarray(grid)
+
     @property
     def _grids(self):
         return (self.r_grid, self.theta_grid, self.phi_grid)
@@ -1551,27 +1572,6 @@ class SphericalMesh(StructuredMesh):
                 for t in range(1, nt + 1)
                 for r in range(1, nr + 1))
 
-    @origin.setter
-    def origin(self, coords):
-        cv.check_type('mesh origin', coords, Iterable, Real)
-        cv.check_length("mesh origin", coords, 3)
-        self._origin = np.asarray(coords)
-
-    @r_grid.setter
-    def r_grid(self, grid):
-        cv.check_type('mesh r_grid', grid, Iterable, Real)
-        self._r_grid = np.asarray(grid)
-
-    @theta_grid.setter
-    def theta_grid(self, grid):
-        cv.check_type('mesh theta_grid', grid, Iterable, Real)
-        self._theta_grid = np.asarray(grid)
-
-    @phi_grid.setter
-    def phi_grid(self, grid):
-        cv.check_type('mesh phi_grid', grid, Iterable, Real)
-        self._phi_grid = np.asarray(grid)
-
     def __repr__(self):
         fmt = '{0: <16}{1}{2}\n'
         string = super().__repr__()
diff --git a/openmc/mgxs/groups.py b/openmc/mgxs/groups.py
index eaef519da..ef4b78f7e 100644
--- a/openmc/mgxs/groups.py
+++ b/openmc/mgxs/groups.py
@@ -75,16 +75,16 @@ class EnergyGroups:
     def group_edges(self):
         return self._group_edges
 
-    @property
-    def num_groups(self):
-        return len(self.group_edges) - 1
-
     @group_edges.setter
     def group_edges(self, edges):
         cv.check_type('group edges', edges, Iterable, Real)
         cv.check_greater_than('number of group edges', len(edges), 1)
         self._group_edges = np.array(edges)
 
+    @property
+    def num_groups(self):
+        return len(self.group_edges) - 1
+
     def get_group(self, energy):
         """Returns the energy group in which the given energy resides.
 
diff --git a/openmc/mgxs/library.py b/openmc/mgxs/library.py
index 8ab052b0d..988b7cc75 100644
--- a/openmc/mgxs/library.py
+++ b/openmc/mgxs/library.py
@@ -178,22 +178,65 @@ class Library:
     def geometry(self):
         return self._geometry
 
+    @geometry.setter
+    def geometry(self, geometry):
+        cv.check_type('geometry', geometry, openmc.Geometry)
+        self._geometry = geometry
+
     @property
     def name(self):
         return self._name
 
+    @name.setter
+    def name(self, name):
+        cv.check_type('name', name, str)
+        self._name = name
+    
     @property
     def mgxs_types(self):
         return self._mgxs_types
 
+    @mgxs_types.setter
+    def mgxs_types(self, mgxs_types):
+        all_mgxs_types = openmc.mgxs.MGXS_TYPES + openmc.mgxs.MDGXS_TYPES + \
+            openmc.mgxs.ARBITRARY_VECTOR_TYPES + \
+            openmc.mgxs.ARBITRARY_MATRIX_TYPES
+        if mgxs_types == 'all':
+            self._mgxs_types = all_mgxs_types
+        else:
+            cv.check_iterable_type('mgxs_types', mgxs_types, str)
+            for mgxs_type in mgxs_types:
+                cv.check_value('mgxs_type', mgxs_type, all_mgxs_types)
+            self._mgxs_types = mgxs_types
+
     @property
     def by_nuclide(self):
         return self._by_nuclide
 
+    @by_nuclide.setter
+    def by_nuclide(self, by_nuclide):
+        cv.check_type('by_nuclide', by_nuclide, bool)
+
+        if by_nuclide and self.domain_type == 'mesh':
+            raise ValueError('Unable to create MGXS library by nuclide with '
+                             'mesh domain')
+
+        self._by_nuclide = by_nuclide
+
     @property
     def domain_type(self):
         return self._domain_type
 
+    @domain_type.setter
+    def domain_type(self, domain_type):
+        cv.check_value('domain type', domain_type, openmc.mgxs.DOMAIN_TYPES)
+
+        if self.by_nuclide and domain_type == 'mesh':
+            raise ValueError('Unable to create MGXS library by nuclide with '
+                             'mesh domain')
+
+        self._domain_type = domain_type
+
     @property
     def domains(self):
         if self._domains == 'all':
@@ -212,118 +255,6 @@ class Library:
         else:
             return self._domains
 
-    @property
-    def nuclides(self):
-        return self._nuclides
-
-    @property
-    def energy_groups(self):
-        return self._energy_groups
-
-    @property
-    def num_delayed_groups(self):
-        return self._num_delayed_groups
-
-    @property
-    def num_polar(self):
-        return self._num_polar
-
-    @property
-    def num_azimuthal(self):
-        return self._num_azimuthal
-
-    @property
-    def correction(self):
-        return self._correction
-
-    @property
-    def scatter_format(self):
-        return self._scatter_format
-
-    @property
-    def legendre_order(self):
-        return self._legendre_order
-
-    @property
-    def histogram_bins(self):
-        return self._histogram_bins
-
-    @property
-    def tally_trigger(self):
-        return self._tally_trigger
-
-    @property
-    def estimator(self):
-        return self._estimator
-
-    @property
-    def num_groups(self):
-        return self.energy_groups.num_groups
-
-    @property
-    def all_mgxs(self):
-        return self._all_mgxs
-
-    @property
-    def sp_filename(self):
-        return self._sp_filename
-
-    @property
-    def keff(self):
-        return self._keff
-
-    @property
-    def sparse(self):
-        return self._sparse
-
-    @geometry.setter
-    def geometry(self, geometry):
-        cv.check_type('geometry', geometry, openmc.Geometry)
-        self._geometry = geometry
-
-    @name.setter
-    def name(self, name):
-        cv.check_type('name', name, str)
-        self._name = name
-
-    @nuclides.setter
-    def nuclides(self, nuclides):
-        cv.check_iterable_type('nuclides', nuclides, str)
-        self._nuclides = nuclides
-
-    @mgxs_types.setter
-    def mgxs_types(self, mgxs_types):
-        all_mgxs_types = openmc.mgxs.MGXS_TYPES + openmc.mgxs.MDGXS_TYPES + \
-            openmc.mgxs.ARBITRARY_VECTOR_TYPES + \
-            openmc.mgxs.ARBITRARY_MATRIX_TYPES
-        if mgxs_types == 'all':
-            self._mgxs_types = all_mgxs_types
-        else:
-            cv.check_iterable_type('mgxs_types', mgxs_types, str)
-            for mgxs_type in mgxs_types:
-                cv.check_value('mgxs_type', mgxs_type, all_mgxs_types)
-            self._mgxs_types = mgxs_types
-
-    @by_nuclide.setter
-    def by_nuclide(self, by_nuclide):
-        cv.check_type('by_nuclide', by_nuclide, bool)
-
-        if by_nuclide and self.domain_type == 'mesh':
-            raise ValueError('Unable to create MGXS library by nuclide with '
-                             'mesh domain')
-
-        self._by_nuclide = by_nuclide
-
-    @domain_type.setter
-    def domain_type(self, domain_type):
-        cv.check_value('domain type', domain_type, openmc.mgxs.DOMAIN_TYPES)
-
-        if self.by_nuclide and domain_type == 'mesh':
-            raise ValueError('Unable to create MGXS library by nuclide with '
-                             'mesh domain')
-
-        self._domain_type = domain_type
-
     @domains.setter
     def domains(self, domains):
 
@@ -363,11 +294,28 @@ class Library:
 
             self._domains = list(domains)
 
+    @property
+    def nuclides(self):
+        return self._nuclides
+
+    @nuclides.setter
+    def nuclides(self, nuclides):
+        cv.check_iterable_type('nuclides', nuclides, str)
+        self._nuclides = nuclides
+
+    @property
+    def energy_groups(self):
+        return self._energy_groups
+    
     @energy_groups.setter
     def energy_groups(self, energy_groups):
         cv.check_type('energy groups', energy_groups, openmc.mgxs.EnergyGroups)
         self._energy_groups = energy_groups
 
+    @property
+    def num_delayed_groups(self):
+        return self._num_delayed_groups
+
     @num_delayed_groups.setter
     def num_delayed_groups(self, num_delayed_groups):
 
@@ -376,6 +324,10 @@ class Library:
         cv.check_greater_than('num delayed groups', num_delayed_groups, 0,
                               equality=True)
         self._num_delayed_groups = num_delayed_groups
+    
+    @property
+    def num_polar(self):
+        return self._num_polar
 
     @num_polar.setter
     def num_polar(self, num_polar):
@@ -383,12 +335,20 @@ class Library:
         cv.check_greater_than('num_polar', num_polar, 0)
         self._num_polar = num_polar
 
+    @property
+    def num_azimuthal(self):
+        return self._num_azimuthal
+
     @num_azimuthal.setter
     def num_azimuthal(self, num_azimuthal):
         cv.check_type('num_azimuthal', num_azimuthal, Integral)
         cv.check_greater_than('num_azimuthal', num_azimuthal, 0)
         self._num_azimuthal = num_azimuthal
 
+    @property
+    def correction(self):
+        return self._correction
+
     @correction.setter
     def correction(self, correction):
         cv.check_value('correction', correction, ('P0', None))
@@ -406,6 +366,10 @@ class Library:
 
         self._correction = correction
 
+    @property
+    def scatter_format(self):
+        return self._scatter_format
+
     @scatter_format.setter
     def scatter_format(self, scatter_format):
         cv.check_value('scatter_format', scatter_format,
@@ -418,6 +382,10 @@ class Library:
             self.correction = None
 
         self._scatter_format = scatter_format
+    
+    @property
+    def legendre_order(self):
+        return self._legendre_order
 
     @legendre_order.setter
     def legendre_order(self, legendre_order):
@@ -440,6 +408,10 @@ class Library:
 
         self._legendre_order = legendre_order
 
+    @property
+    def histogram_bins(self):
+        return self._histogram_bins
+
     @histogram_bins.setter
     def histogram_bins(self, histogram_bins):
         cv.check_type('histogram_bins', histogram_bins, Integral)
@@ -459,16 +431,44 @@ class Library:
 
         self._histogram_bins = histogram_bins
 
+    @property
+    def tally_trigger(self):
+        return self._tally_trigger
+
     @tally_trigger.setter
     def tally_trigger(self, tally_trigger):
         cv.check_type('tally trigger', tally_trigger, openmc.Trigger)
         self._tally_trigger = tally_trigger
 
+    @property
+    def estimator(self):
+        return self._estimator
+
     @estimator.setter
     def estimator(self, estimator):
         cv.check_value('estimator', estimator, ESTIMATOR_TYPES)
         self._estimator = estimator
 
+    @property
+    def num_groups(self):
+        return self.energy_groups.num_groups
+
+    @property
+    def all_mgxs(self):
+        return self._all_mgxs
+
+    @property
+    def sp_filename(self):
+        return self._sp_filename
+
+    @property
+    def keff(self):
+        return self._keff
+
+    @property
+    def sparse(self):
+        return self._sparse
+
     @sparse.setter
     def sparse(self, sparse):
         """Convert tally data from NumPy arrays to SciPy list of lists (LIL)
diff --git a/openmc/mgxs/mdgxs.py b/openmc/mgxs/mdgxs.py
index 96192323e..7643757d4 100644
--- a/openmc/mgxs/mdgxs.py
+++ b/openmc/mgxs/mdgxs.py
@@ -187,13 +187,6 @@ class MDGXS(MGXS):
     def delayed_groups(self):
         return self._delayed_groups
 
-    @property
-    def num_delayed_groups(self):
-        if self.delayed_groups is None:
-            return 1
-        else:
-            return len(self.delayed_groups)
-
     @delayed_groups.setter
     def delayed_groups(self, delayed_groups):
 
@@ -210,6 +203,13 @@ class MDGXS(MGXS):
 
         self._delayed_groups = delayed_groups
 
+    @property
+    def num_delayed_groups(self):
+        if self.delayed_groups is None:
+            return 1
+        else:
+            return len(self.delayed_groups)
+
     @property
     def filters(self):
 
diff --git a/openmc/mgxs/mgxs.py b/openmc/mgxs/mgxs.py
index 1077896cc..264cbc892 100644
--- a/openmc/mgxs/mgxs.py
+++ b/openmc/mgxs/mgxs.py
@@ -453,6 +453,11 @@ class MGXS:
     def name(self):
         return self._name
 
+    @name.setter
+    def name(self, name):
+        cv.check_type('name', name, str)
+        self._name = name
+
     @property
     def rxn_type(self):
         return self._rxn_type
@@ -461,30 +466,78 @@ class MGXS:
     def by_nuclide(self):
         return self._by_nuclide
 
+    @by_nuclide.setter
+    def by_nuclide(self, by_nuclide):
+        cv.check_type('by_nuclide', by_nuclide, bool)
+        self._by_nuclide = by_nuclide
+
     @property
     def domain(self):
         return self._domain
 
+    @domain.setter
+    def domain(self, domain):
+        cv.check_type('domain', domain, _DOMAINS)
+        self._domain = domain
+
+        # Assign a domain type
+        if self.domain_type is None:
+            if isinstance(domain, openmc.Material):
+                self._domain_type = 'material'
+            elif isinstance(domain, openmc.Cell):
+                self._domain_type = 'cell'
+            elif isinstance(domain, openmc.Universe):
+                self._domain_type = 'universe'
+            elif isinstance(domain, openmc.RegularMesh):
+                self._domain_type = 'mesh'
+
     @property
     def domain_type(self):
         return self._domain_type
 
+    @domain_type.setter
+    def domain_type(self, domain_type):
+        cv.check_value('domain type', domain_type, DOMAIN_TYPES)
+        self._domain_type = domain_type
+
     @property
     def energy_groups(self):
         return self._energy_groups
 
+    @energy_groups.setter
+    def energy_groups(self, energy_groups):
+        cv.check_type('energy groups', energy_groups, openmc.mgxs.EnergyGroups)
+        self._energy_groups = energy_groups
+
     @property
     def num_polar(self):
         return self._num_polar
 
+    @num_polar.setter
+    def num_polar(self, num_polar):
+        cv.check_type('num_polar', num_polar, Integral)
+        cv.check_greater_than('num_polar', num_polar, 0)
+        self._num_polar = num_polar
+
     @property
     def num_azimuthal(self):
         return self._num_azimuthal
 
+    @num_azimuthal.setter
+    def num_azimuthal(self, num_azimuthal):
+        cv.check_type('num_azimuthal', num_azimuthal, Integral)
+        cv.check_greater_than('num_azimuthal', num_azimuthal, 0)
+        self._num_azimuthal = num_azimuthal
+
     @property
     def tally_trigger(self):
         return self._tally_trigger
 
+    @tally_trigger.setter
+    def tally_trigger(self, tally_trigger):
+        cv.check_type('tally trigger', tally_trigger, openmc.Trigger)
+        self._tally_trigger = tally_trigger
+
     @property
     def num_groups(self):
         return self.energy_groups.num_groups
@@ -511,6 +564,11 @@ class MGXS:
     def estimator(self):
         return self._estimator
 
+    @estimator.setter
+    def estimator(self, estimator):
+        cv.check_value('estimator', estimator, self._valid_estimators)
+        self._estimator = estimator
+
     @property
     def tallies(self):
 
@@ -585,6 +643,31 @@ class MGXS:
     def sparse(self):
         return self._sparse
 
+    @sparse.setter
+    def sparse(self, sparse):
+        """Convert tally data from NumPy arrays to SciPy list of lists (LIL)
+        sparse matrices, and vice versa.
+
+        This property may be used to reduce the amount of data in memory during
+        tally data processing. The tally data will be stored as SciPy LIL
+        matrices internally within the Tally object. All tally data access
+        properties and methods will return data as a dense NumPy array.
+
+        """
+
+        cv.check_type('sparse', sparse, bool)
+
+        # Sparsify or densify the derived MGXS tallies and the base tallies
+        if self._xs_tally:
+            self.xs_tally.sparse = sparse
+        if self._rxn_rate_tally:
+            self.rxn_rate_tally.sparse = sparse
+
+        for tally_name in self.tallies:
+            self.tallies[tally_name].sparse = sparse
+
+        self._sparse = sparse
+
     @property
     def num_subdomains(self):
         if self.domain_type.startswith('sum('):
@@ -612,6 +695,11 @@ class MGXS:
         else:
             return ['sum']
 
+    @nuclides.setter
+    def nuclides(self, nuclides):
+        cv.check_iterable_type('nuclides', nuclides, str)
+        self._nuclides = nuclides
+
     @property
     def loaded_sp(self):
         return self._loaded_sp
@@ -627,94 +715,6 @@ class MGXS:
         else:
             return self._rxn_type
 
-    @name.setter
-    def name(self, name):
-        cv.check_type('name', name, str)
-        self._name = name
-
-    @by_nuclide.setter
-    def by_nuclide(self, by_nuclide):
-        cv.check_type('by_nuclide', by_nuclide, bool)
-        self._by_nuclide = by_nuclide
-
-    @nuclides.setter
-    def nuclides(self, nuclides):
-        cv.check_iterable_type('nuclides', nuclides, str)
-        self._nuclides = nuclides
-
-    @estimator.setter
-    def estimator(self, estimator):
-        cv.check_value('estimator', estimator, self._valid_estimators)
-        self._estimator = estimator
-
-    @domain.setter
-    def domain(self, domain):
-        cv.check_type('domain', domain, _DOMAINS)
-        self._domain = domain
-
-        # Assign a domain type
-        if self.domain_type is None:
-            if isinstance(domain, openmc.Material):
-                self._domain_type = 'material'
-            elif isinstance(domain, openmc.Cell):
-                self._domain_type = 'cell'
-            elif isinstance(domain, openmc.Universe):
-                self._domain_type = 'universe'
-            elif isinstance(domain, openmc.RegularMesh):
-                self._domain_type = 'mesh'
-
-    @domain_type.setter
-    def domain_type(self, domain_type):
-        cv.check_value('domain type', domain_type, DOMAIN_TYPES)
-        self._domain_type = domain_type
-
-    @energy_groups.setter
-    def energy_groups(self, energy_groups):
-        cv.check_type('energy groups', energy_groups, openmc.mgxs.EnergyGroups)
-        self._energy_groups = energy_groups
-
-    @num_polar.setter
-    def num_polar(self, num_polar):
-        cv.check_type('num_polar', num_polar, Integral)
-        cv.check_greater_than('num_polar', num_polar, 0)
-        self._num_polar = num_polar
-
-    @num_azimuthal.setter
-    def num_azimuthal(self, num_azimuthal):
-        cv.check_type('num_azimuthal', num_azimuthal, Integral)
-        cv.check_greater_than('num_azimuthal', num_azimuthal, 0)
-        self._num_azimuthal = num_azimuthal
-
-    @tally_trigger.setter
-    def tally_trigger(self, tally_trigger):
-        cv.check_type('tally trigger', tally_trigger, openmc.Trigger)
-        self._tally_trigger = tally_trigger
-
-    @sparse.setter
-    def sparse(self, sparse):
-        """Convert tally data from NumPy arrays to SciPy list of lists (LIL)
-        sparse matrices, and vice versa.
-
-        This property may be used to reduce the amount of data in memory during
-        tally data processing. The tally data will be stored as SciPy LIL
-        matrices internally within the Tally object. All tally data access
-        properties and methods will return data as a dense NumPy array.
-
-        """
-
-        cv.check_type('sparse', sparse, bool)
-
-        # Sparsify or densify the derived MGXS tallies and the base tallies
-        if self._xs_tally:
-            self.xs_tally.sparse = sparse
-        if self._rxn_rate_tally:
-            self.rxn_rate_tally.sparse = sparse
-
-        for tally_name in self.tallies:
-            self.tallies[tally_name].sparse = sparse
-
-        self._sparse = sparse
-
     @staticmethod
     def get_mgxs(mgxs_type, domain=None, domain_type=None,
                  energy_groups=None, by_nuclide=False, name='', num_polar=1,
@@ -3453,10 +3453,6 @@ class FissionXS(MGXS):
     def nu(self):
         return self._nu
 
-    @property
-    def prompt(self):
-        return self._prompt
-
     @nu.setter
     def nu(self, nu):
         cv.check_type('nu', nu, bool)
@@ -3469,6 +3465,10 @@ class FissionXS(MGXS):
         else:
             self._rxn_type = 'prompt-nu-fission'
 
+    @property
+    def prompt(self):
+        return self._prompt
+
     @prompt.setter
     def prompt(self, prompt):
         cv.check_type('prompt', prompt, bool)
@@ -4006,26 +4006,115 @@ class ScatterMatrixXS(MatrixMGXS):
     def formulation(self):
         return self._formulation
 
+    @formulation.setter
+    def formulation(self, formulation):
+        cv.check_value('formulation', formulation, ('simple', 'consistent'))
+        self._formulation = formulation
+
+        if self.formulation == 'simple':
+            self._valid_estimators = ['analog']
+            if not self.nu:
+                self._mgxs_type = 'scatter matrix'
+            else:
+                self._mgxs_type = 'nu-scatter matrix'
+        else:
+            self._valid_estimators = ['tracklength']
+            if not self.nu:
+                self._mgxs_type = 'consistent scatter matrix'
+            else:
+                self._mgxs_type = 'consistent nu-scatter matrix'
+
     @property
     def correction(self):
         return self._correction
 
+    @correction.setter
+    def correction(self, correction):
+        cv.check_value('correction', correction, ('P0', None))
+
+        if self.scatter_format == SCATTER_LEGENDRE:
+            if correction == 'P0' and self.legendre_order > 0:
+                msg = 'The P0 correction will be ignored since the ' \
+                      'scattering order {} is greater than '\
+                      'zero'.format(self.legendre_order)
+                warnings.warn(msg)
+        elif self.scatter_format == SCATTER_HISTOGRAM:
+            msg = 'The P0 correction will be ignored since the ' \
+                  'scatter format is set to histogram'
+            warnings.warn(msg)
+
+        self._correction = correction
+
     @property
     def scatter_format(self):
         return self._scatter_format
 
+    @scatter_format.setter
+    def scatter_format(self, scatter_format):
+        cv.check_value('scatter_format', scatter_format, MU_TREATMENTS)
+        self._scatter_format = scatter_format
+
     @property
     def legendre_order(self):
         return self._legendre_order
 
+    @legendre_order.setter
+    def legendre_order(self, legendre_order):
+        cv.check_type('legendre_order', legendre_order, Integral)
+        cv.check_greater_than('legendre_order', legendre_order, 0,
+                              equality=True)
+        cv.check_less_than('legendre_order', legendre_order, _MAX_LEGENDRE,
+                           equality=True)
+
+        if self.scatter_format == SCATTER_LEGENDRE:
+            if self.correction == 'P0' and legendre_order > 0:
+                msg = 'The P0 correction will be ignored since the ' \
+                      'scattering order {} is greater than '\
+                      'zero'.format(legendre_order)
+                warnings.warn(msg, RuntimeWarning)
+                self.correction = None
+        elif self.scatter_format == SCATTER_HISTOGRAM:
+            msg = 'The legendre order will be ignored since the ' \
+                  'scatter format is set to histogram'
+            warnings.warn(msg)
+
+        self._legendre_order = legendre_order
+
     @property
     def histogram_bins(self):
         return self._histogram_bins
 
+    @histogram_bins.setter
+    def histogram_bins(self, histogram_bins):
+        cv.check_type('histogram_bins', histogram_bins, Integral)
+        cv.check_greater_than('histogram_bins', histogram_bins, 0)
+
+        self._histogram_bins = histogram_bins
+
     @property
     def nu(self):
         return self._nu
 
+    @nu.setter
+    def nu(self, nu):
+        cv.check_type('nu', nu, bool)
+        self._nu = nu
+
+        if self.formulation == 'simple':
+            if not nu:
+                self._rxn_type = 'scatter'
+                self._mgxs_type = 'scatter matrix'
+            else:
+                self._rxn_type = 'nu-scatter'
+                self._mgxs_type = 'nu-scatter matrix'
+        else:
+            if not nu:
+                self._rxn_type = 'scatter'
+                self._mgxs_type = 'consistent scatter matrix'
+            else:
+                self._rxn_type = 'nu-scatter'
+                self._mgxs_type = 'consistent nu-scatter matrix'
+
     @property
     def scores(self):
 
@@ -4307,95 +4396,6 @@ class ScatterMatrixXS(MatrixMGXS):
 
         return self._xs_tally
 
-    @nu.setter
-    def nu(self, nu):
-        cv.check_type('nu', nu, bool)
-        self._nu = nu
-
-        if self.formulation == 'simple':
-            if not nu:
-                self._rxn_type = 'scatter'
-                self._mgxs_type = 'scatter matrix'
-            else:
-                self._rxn_type = 'nu-scatter'
-                self._mgxs_type = 'nu-scatter matrix'
-        else:
-            if not nu:
-                self._rxn_type = 'scatter'
-                self._mgxs_type = 'consistent scatter matrix'
-            else:
-                self._rxn_type = 'nu-scatter'
-                self._mgxs_type = 'consistent nu-scatter matrix'
-
-    @formulation.setter
-    def formulation(self, formulation):
-        cv.check_value('formulation', formulation, ('simple', 'consistent'))
-        self._formulation = formulation
-
-        if self.formulation == 'simple':
-            self._valid_estimators = ['analog']
-            if not self.nu:
-                self._mgxs_type = 'scatter matrix'
-            else:
-                self._mgxs_type = 'nu-scatter matrix'
-        else:
-            self._valid_estimators = ['tracklength']
-            if not self.nu:
-                self._mgxs_type = 'consistent scatter matrix'
-            else:
-                self._mgxs_type = 'consistent nu-scatter matrix'
-
-    @correction.setter
-    def correction(self, correction):
-        cv.check_value('correction', correction, ('P0', None))
-
-        if self.scatter_format == SCATTER_LEGENDRE:
-            if correction == 'P0' and self.legendre_order > 0:
-                msg = 'The P0 correction will be ignored since the ' \
-                      'scattering order {} is greater than '\
-                      'zero'.format(self.legendre_order)
-                warnings.warn(msg)
-        elif self.scatter_format == SCATTER_HISTOGRAM:
-            msg = 'The P0 correction will be ignored since the ' \
-                  'scatter format is set to histogram'
-            warnings.warn(msg)
-
-        self._correction = correction
-
-    @scatter_format.setter
-    def scatter_format(self, scatter_format):
-        cv.check_value('scatter_format', scatter_format, MU_TREATMENTS)
-        self._scatter_format = scatter_format
-
-    @legendre_order.setter
-    def legendre_order(self, legendre_order):
-        cv.check_type('legendre_order', legendre_order, Integral)
-        cv.check_greater_than('legendre_order', legendre_order, 0,
-                              equality=True)
-        cv.check_less_than('legendre_order', legendre_order, _MAX_LEGENDRE,
-                           equality=True)
-
-        if self.scatter_format == SCATTER_LEGENDRE:
-            if self.correction == 'P0' and legendre_order > 0:
-                msg = 'The P0 correction will be ignored since the ' \
-                      'scattering order {} is greater than '\
-                      'zero'.format(legendre_order)
-                warnings.warn(msg, RuntimeWarning)
-                self.correction = None
-        elif self.scatter_format == SCATTER_HISTOGRAM:
-            msg = 'The legendre order will be ignored since the ' \
-                  'scatter format is set to histogram'
-            warnings.warn(msg)
-
-        self._legendre_order = legendre_order
-
-    @histogram_bins.setter
-    def histogram_bins(self, histogram_bins):
-        cv.check_type('histogram_bins', histogram_bins, Integral)
-        cv.check_greater_than('histogram_bins', histogram_bins, 0)
-
-        self._histogram_bins = histogram_bins
-
     def load_from_statepoint(self, statepoint):
         """Extracts tallies in an OpenMC StatePoint with the data needed to
         compute multi-group cross sections.
@@ -5416,6 +5416,17 @@ class Chi(MGXS):
     def prompt(self):
         return self._prompt
 
+    @prompt.setter
+    def prompt(self, prompt):
+        cv.check_type('prompt', prompt, bool)
+        self._prompt = prompt
+        if not self.prompt:
+            self._rxn_type = 'chi'
+            self._mgxs_type = 'chi'
+        else:
+            self._rxn_type = 'chi-prompt'
+            self._mgxs_type = 'chi-prompt'
+
     @property
     def _dont_squeeze(self):
         """Create a tuple of axes which should not be removed during the get_xs
@@ -5472,17 +5483,6 @@ class Chi(MGXS):
 
         return self._xs_tally
 
-    @prompt.setter
-    def prompt(self, prompt):
-        cv.check_type('prompt', prompt, bool)
-        self._prompt = prompt
-        if not self.prompt:
-            self._rxn_type = 'chi'
-            self._mgxs_type = 'chi'
-        else:
-            self._rxn_type = 'chi-prompt'
-            self._mgxs_type = 'chi-prompt'
-
     def get_homogenized_mgxs(self, other_mgxs):
         """Construct a homogenized mgxs with other MGXS objects.
 
@@ -5968,10 +5968,6 @@ class MeshSurfaceMGXS(MGXS):
     def domain(self):
         return self._domain
 
-    @property
-    def domain_type(self):
-        return self._domain_type
-
     @domain.setter
     def domain(self, domain):
         cv.check_type('domain', domain, openmc.RegularMesh)
@@ -5981,6 +5977,10 @@ class MeshSurfaceMGXS(MGXS):
         if self.domain_type is None:
             self._domain_type = 'mesh'
 
+    @property
+    def domain_type(self):
+        return self._domain_type
+
     @domain_type.setter
     def domain_type(self, domain_type):
         cv.check_value('domain type', domain_type, 'mesh')
diff --git a/openmc/mgxs_library.py b/openmc/mgxs_library.py
index 98a99196e..85e15f8eb 100644
--- a/openmc/mgxs_library.py
+++ b/openmc/mgxs_library.py
@@ -260,22 +260,62 @@ class XSdata:
     def name(self):
         return self._name
 
+    @name.setter
+    def name(self, name):
+
+        check_type('name for XSdata', name, str)
+        self._name = name
+
     @property
     def energy_groups(self):
         return self._energy_groups
 
+    @energy_groups.setter
+    def energy_groups(self, energy_groups):
+
+        check_type('energy_groups', energy_groups, openmc.mgxs.EnergyGroups)
+        if energy_groups.group_edges is None:
+            msg = 'Unable to assign an EnergyGroups object ' \
+                  'with uninitialized group edges'
+            raise ValueError(msg)
+
+        self._energy_groups = energy_groups
+
     @property
     def num_delayed_groups(self):
         return self._num_delayed_groups
 
+    @num_delayed_groups.setter
+    def num_delayed_groups(self, num_delayed_groups):
+
+        check_type('num_delayed_groups', num_delayed_groups, Integral)
+        check_less_than('num_delayed_groups', num_delayed_groups,
+                        openmc.mgxs.MAX_DELAYED_GROUPS, equality=True)
+        check_greater_than('num_delayed_groups', num_delayed_groups, 0,
+                           equality=True)
+        self._num_delayed_groups = num_delayed_groups
+
     @property
     def representation(self):
         return self._representation
 
+    @representation.setter
+    def representation(self, representation):
+
+        check_value('representation', representation, _REPRESENTATIONS)
+        self._representation = representation
+
     @property
     def atomic_weight_ratio(self):
         return self._atomic_weight_ratio
 
+    @atomic_weight_ratio.setter
+    def atomic_weight_ratio(self, atomic_weight_ratio):
+
+        check_type('atomic_weight_ratio', atomic_weight_ratio, Real)
+        check_greater_than('atomic_weight_ratio', atomic_weight_ratio, 0.0)
+        self._atomic_weight_ratio = atomic_weight_ratio
+
     @property
     def fissionable(self):
         return self._fissionable
@@ -284,22 +324,55 @@ class XSdata:
     def temperatures(self):
         return self._temperatures
 
+    @temperatures.setter
+    def temperatures(self, temperatures):
+
+        check_iterable_type('temperatures', temperatures, Real)
+        self._temperatures = np.array(temperatures)
+
     @property
     def scatter_format(self):
         return self._scatter_format
 
+    @scatter_format.setter
+    def scatter_format(self, scatter_format):
+
+        check_value('scatter_format', scatter_format, _SCATTER_TYPES)
+        self._scatter_format = scatter_format
+
     @property
     def order(self):
         return self._order
 
+    @order.setter
+    def order(self, order):
+
+        check_type('order', order, Integral)
+        check_greater_than('order', order, 0, equality=True)
+        self._order = order
+
     @property
     def num_polar(self):
         return self._num_polar
 
+    @num_polar.setter
+    def num_polar(self, num_polar):
+
+        check_type('num_polar', num_polar, Integral)
+        check_greater_than('num_polar', num_polar, 0)
+        self._num_polar = num_polar
+
     @property
     def num_azimuthal(self):
         return self._num_azimuthal
 
+    @num_azimuthal.setter
+    def num_azimuthal(self, num_azimuthal):
+
+        check_type('num_azimuthal', num_azimuthal, Integral)
+        check_greater_than('num_azimuthal', num_azimuthal, 0)
+        self._num_azimuthal = num_azimuthal
+
     @property
     def total(self):
         return self._total
@@ -401,79 +474,6 @@ class XSdata:
 
         return self._xs_shapes
 
-    @name.setter
-    def name(self, name):
-
-        check_type('name for XSdata', name, str)
-        self._name = name
-
-    @energy_groups.setter
-    def energy_groups(self, energy_groups):
-
-        check_type('energy_groups', energy_groups, openmc.mgxs.EnergyGroups)
-        if energy_groups.group_edges is None:
-            msg = 'Unable to assign an EnergyGroups object ' \
-                  'with uninitialized group edges'
-            raise ValueError(msg)
-
-        self._energy_groups = energy_groups
-
-    @num_delayed_groups.setter
-    def num_delayed_groups(self, num_delayed_groups):
-
-        check_type('num_delayed_groups', num_delayed_groups, Integral)
-        check_less_than('num_delayed_groups', num_delayed_groups,
-                        openmc.mgxs.MAX_DELAYED_GROUPS, equality=True)
-        check_greater_than('num_delayed_groups', num_delayed_groups, 0,
-                           equality=True)
-        self._num_delayed_groups = num_delayed_groups
-
-    @representation.setter
-    def representation(self, representation):
-
-        check_value('representation', representation, _REPRESENTATIONS)
-        self._representation = representation
-
-    @atomic_weight_ratio.setter
-    def atomic_weight_ratio(self, atomic_weight_ratio):
-
-        check_type('atomic_weight_ratio', atomic_weight_ratio, Real)
-        check_greater_than('atomic_weight_ratio', atomic_weight_ratio, 0.0)
-        self._atomic_weight_ratio = atomic_weight_ratio
-
-    @temperatures.setter
-    def temperatures(self, temperatures):
-
-        check_iterable_type('temperatures', temperatures, Real)
-        self._temperatures = np.array(temperatures)
-
-    @scatter_format.setter
-    def scatter_format(self, scatter_format):
-
-        check_value('scatter_format', scatter_format, _SCATTER_TYPES)
-        self._scatter_format = scatter_format
-
-    @order.setter
-    def order(self, order):
-
-        check_type('order', order, Integral)
-        check_greater_than('order', order, 0, equality=True)
-        self._order = order
-
-    @num_polar.setter
-    def num_polar(self, num_polar):
-
-        check_type('num_polar', num_polar, Integral)
-        check_greater_than('num_polar', num_polar, 0)
-        self._num_polar = num_polar
-
-    @num_azimuthal.setter
-    def num_azimuthal(self, num_azimuthal):
-
-        check_type('num_azimuthal', num_azimuthal, Integral)
-        check_greater_than('num_azimuthal', num_azimuthal, 0)
-        self._num_azimuthal = num_azimuthal
-
     def add_temperature(self, temperature):
         """This method re-sizes the attributes of this XSdata object so that it
         can accommodate an additional temperature.  Note that the set_* methods
@@ -2330,23 +2330,15 @@ class MGXSLibrary:
     def energy_groups(self):
         return self._energy_groups
 
-    @property
-    def num_delayed_groups(self):
-        return self._num_delayed_groups
-
-    @property
-    def xsdatas(self):
-        return self._xsdatas
-
-    @property
-    def names(self):
-        return [xsdata.name for xsdata in self.xsdatas]
-
     @energy_groups.setter
     def energy_groups(self, energy_groups):
         check_type('energy groups', energy_groups, openmc.mgxs.EnergyGroups)
         self._energy_groups = energy_groups
 
+    @property
+    def num_delayed_groups(self):
+        return self._num_delayed_groups
+
     @num_delayed_groups.setter
     def num_delayed_groups(self, num_delayed_groups):
         check_type('num_delayed_groups', num_delayed_groups, Integral)
@@ -2356,6 +2348,14 @@ class MGXSLibrary:
                         openmc.mgxs.MAX_DELAYED_GROUPS, equality=True)
         self._num_delayed_groups = num_delayed_groups
 
+    @property
+    def xsdatas(self):
+        return self._xsdatas
+
+    @property
+    def names(self):
+        return [xsdata.name for xsdata in self.xsdatas]
+
     def add_xsdata(self, xsdata):
         """Add an XSdata entry to the file.
 
diff --git a/openmc/model/model.py b/openmc/model/model.py
index ee7f3647f..db0b05e15 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -98,22 +98,62 @@ class Model:
     def geometry(self) -> Optional[openmc.Geometry]:
         return self._geometry
 
+    @geometry.setter
+    def geometry(self, geometry):
+        check_type('geometry', geometry, openmc.Geometry)
+        self._geometry = geometry
+
     @property
     def materials(self) -> Optional[openmc.Materials]:
         return self._materials
 
+    @materials.setter
+    def materials(self, materials):
+        check_type('materials', materials, Iterable, openmc.Material)
+        if isinstance(materials, openmc.Materials):
+            self._materials = materials
+        else:
+            del self._materials[:]
+            for mat in materials:
+                self._materials.append(mat)
+
     @property
     def settings(self) -> Optional[openmc.Settings]:
         return self._settings
 
+    @settings.setter
+    def settings(self, settings):
+        check_type('settings', settings, openmc.Settings)
+        self._settings = settings
+
     @property
     def tallies(self) -> Optional[openmc.Tallies]:
         return self._tallies
 
+    @tallies.setter
+    def tallies(self, tallies):
+        check_type('tallies', tallies, Iterable, openmc.Tally)
+        if isinstance(tallies, openmc.Tallies):
+            self._tallies = tallies
+        else:
+            del self._tallies[:]
+            for tally in tallies:
+                self._tallies.append(tally)
+
     @property
     def plots(self) -> Optional[openmc.Plots]:
         return self._plots
 
+    @plots.setter
+    def plots(self, plots):
+        check_type('plots', plots, Iterable, openmc.Plot)
+        if isinstance(plots, openmc.Plots):
+            self._plots = plots
+        else:
+            del self._plots[:]
+            for plot in plots:
+                self._plots.append(plot)
+
     @property
     def is_initialized(self) -> bool:
         try:
@@ -166,46 +206,6 @@ class Model:
             result[mat.name].add(mat)
         return result
 
-    @geometry.setter
-    def geometry(self, geometry):
-        check_type('geometry', geometry, openmc.Geometry)
-        self._geometry = geometry
-
-    @materials.setter
-    def materials(self, materials):
-        check_type('materials', materials, Iterable, openmc.Material)
-        if isinstance(materials, openmc.Materials):
-            self._materials = materials
-        else:
-            del self._materials[:]
-            for mat in materials:
-                self._materials.append(mat)
-
-    @settings.setter
-    def settings(self, settings):
-        check_type('settings', settings, openmc.Settings)
-        self._settings = settings
-
-    @tallies.setter
-    def tallies(self, tallies):
-        check_type('tallies', tallies, Iterable, openmc.Tally)
-        if isinstance(tallies, openmc.Tallies):
-            self._tallies = tallies
-        else:
-            del self._tallies[:]
-            for tally in tallies:
-                self._tallies.append(tally)
-
-    @plots.setter
-    def plots(self, plots):
-        check_type('plots', plots, Iterable, openmc.Plot)
-        if isinstance(plots, openmc.Plots):
-            self._plots = plots
-        else:
-            del self._plots[:]
-            for plot in plots:
-                self._plots.append(plot)
-
     @classmethod
     def from_xml(cls, geometry='geometry.xml', materials='materials.xml',
                  settings='settings.xml', tallies='tallies.xml',
diff --git a/openmc/model/triso.py b/openmc/model/triso.py
index b41ae7fa6..f344b8edd 100644
--- a/openmc/model/triso.py
+++ b/openmc/model/triso.py
@@ -138,10 +138,20 @@ class _Container(ABC):
     def sphere_radius(self):
         return self._sphere_radius
 
+    @sphere_radius.setter
+    def sphere_radius(self, sphere_radius):
+        self._sphere_radius = float(sphere_radius)
+        self._limits = None
+        self._cell_length = None
+
     @property
     def center(self):
         return self._center
 
+    @center.setter
+    def center(self, center):
+        self._center = center
+
     @abstractproperty
     def limits(self):
         pass
@@ -154,15 +164,6 @@ class _Container(ABC):
     def volume(self):
         pass
 
-    @sphere_radius.setter
-    def sphere_radius(self, sphere_radius):
-        self._sphere_radius = float(sphere_radius)
-        self._limits = None
-        self._cell_length = None
-
-    @center.setter
-    def center(self, center):
-        self._center = center
 
     def mesh_cell(self, p):
         """Calculate the index of the cell in a mesh overlaid on the domain in
@@ -300,14 +301,32 @@ class _RectangularPrism(_Container):
     def width(self):
         return self._width
 
+    @width.setter
+    def width(self, width):
+        self._width = float(width)
+        self._limits = None
+        self._cell_length = None
+
     @property
     def depth(self):
         return self._depth
 
+    @depth.setter
+    def depth(self, depth):
+        self._depth = float(depth)
+        self._limits = None
+        self._cell_length = None
+
     @property
     def height(self):
         return self._height
 
+    @height.setter
+    def height(self, height):
+        self._height = float(height)
+        self._limits = None
+        self._cell_length = None
+
     @property
     def limits(self):
         if self._limits is None:
@@ -316,8 +335,13 @@ class _RectangularPrism(_Container):
             x, y, z = self.width/2, self.depth/2, self.height/2
             self._limits = [[c[0] - x + r, c[1] - y + r, c[2] - z + r],
                             [c[0] + x - r, c[1] + y - r, c[2] + z - r]]
+
         return self._limits
 
+    @limits.setter
+    def limits(self, limits):
+        self._limits = limits
+
     @property
     def cell_length(self):
         if self._cell_length is None:
@@ -330,28 +354,6 @@ class _RectangularPrism(_Container):
     def volume(self):
         return self.width*self.depth*self.height
 
-    @width.setter
-    def width(self, width):
-        self._width = float(width)
-        self._limits = None
-        self._cell_length = None
-
-    @depth.setter
-    def depth(self, depth):
-        self._depth = float(depth)
-        self._limits = None
-        self._cell_length = None
-
-    @height.setter
-    def height(self, height):
-        self._height = float(height)
-        self._limits = None
-        self._cell_length = None
-
-    @limits.setter
-    def limits(self, limits):
-        self._limits = limits
-
     @classmethod
     def from_region(self, region, sphere_radius):
         check_type('region', region, openmc.Region)
@@ -470,14 +472,31 @@ class _Cylinder(_Container):
     def length(self):
         return self._length
 
+    @length.setter
+    def length(self, length):
+        self._length = float(length)
+        self._limits = None
+        self._cell_length = None
+
     @property
     def radius(self):
         return self._radius
 
+    @radius.setter
+    def radius(self, radius):
+        self._radius = float(radius)
+        self._limits = None
+        self._cell_length = None
+
     @property
     def axis(self):
         return self._axis
 
+    @axis.setter
+    def axis(self, axis):
+        self._axis = axis
+        self._shift = None
+
     @property
     def shift(self):
         if self._shift is None:
@@ -498,6 +517,10 @@ class _Cylinder(_Container):
             self._limits = [[z0 - z + r], [z0 + z - r, self.radius - r]]
         return self._limits
 
+    @limits.setter
+    def limits(self, limits):
+        self._limits = limits
+
     @property
     def cell_length(self):
         if self._cell_length is None:
@@ -513,27 +536,6 @@ class _Cylinder(_Container):
     def volume(self):
         return self.length*pi*self.radius**2
 
-    @length.setter
-    def length(self, length):
-        self._length = float(length)
-        self._limits = None
-        self._cell_length = None
-
-    @radius.setter
-    def radius(self, radius):
-        self._radius = float(radius)
-        self._limits = None
-        self._cell_length = None
-
-    @axis.setter
-    def axis(self, axis):
-        self._axis = axis
-        self._shift = None
-
-    @limits.setter
-    def limits(self, limits):
-        self._limits = limits
-
     @classmethod
     def from_region(self, region, sphere_radius):
         check_type('region', region, openmc.Region)
@@ -676,10 +678,21 @@ class _SphericalShell(_Container):
     def radius(self):
         return self._radius
 
+    @radius.setter
+    def radius(self, radius):
+        self._radius = float(radius)
+        self._limits = None
+        self._cell_length = None
+
     @property
     def inner_radius(self):
         return self._inner_radius
 
+    @inner_radius.setter
+    def inner_radius(self, inner_radius):
+        self._inner_radius = float(inner_radius)
+        self._limits = None
+
     @property
     def limits(self):
         if self._limits is None:
@@ -691,6 +704,10 @@ class _SphericalShell(_Container):
             self._limits = [[r_min], [r_max]]
         return self._limits
 
+    @limits.setter
+    def limits(self, limits):
+        self._limits = limits
+
     @property
     def cell_length(self):
         if self._cell_length is None:
@@ -703,21 +720,6 @@ class _SphericalShell(_Container):
     def volume(self):
         return _volume_sphere(self.radius) - _volume_sphere(self.inner_radius)
 
-    @radius.setter
-    def radius(self, radius):
-        self._radius = float(radius)
-        self._limits = None
-        self._cell_length = None
-
-    @inner_radius.setter
-    def inner_radius(self, inner_radius):
-        self._inner_radius = float(inner_radius)
-        self._limits = None
-
-    @limits.setter
-    def limits(self, limits):
-        self._limits = limits
-
     @classmethod
     def from_region(self, region, sphere_radius):
         check_type('region', region, openmc.Region)
diff --git a/openmc/plots.py b/openmc/plots.py
index 5d8cf9ba4..5bc8a2e6e 100644
--- a/openmc/plots.py
+++ b/openmc/plots.py
@@ -315,51 +315,15 @@ class PlotBase(IDManagerMixin):
     def name(self):
         return self._name
 
-    @property
-    def pixels(self):
-        return self._pixels
-
-    @property
-    def filename(self):
-        return self._filename
-
-    @property
-    def color_by(self):
-        return self._color_by
-
-    @property
-    def background(self):
-        return self._background
-
-    @property
-    def mask_components(self):
-        return self._mask_components
-
-    @property
-    def mask_background(self):
-        return self._mask_background
-
-    @property
-    def show_overlaps(self):
-        return self._show_overlaps
-
-    @property
-    def overlap_color(self):
-        return self._overlap_color
-
-    @property
-    def colors(self):
-        return self._colors
-
-    @property
-    def level(self):
-        return self._level
-
     @name.setter
     def name(self, name):
         cv.check_type('plot name', name, str)
         self._name = name
 
+    @property
+    def pixels(self):
+        return self._pixels
+
     @pixels.setter
     def pixels(self, pixels):
         cv.check_type('plot pixels', pixels, Iterable, Integral)
@@ -368,21 +332,75 @@ class PlotBase(IDManagerMixin):
             cv.check_greater_than('plot pixels', dim, 0)
         self._pixels = pixels
 
+    @property
+    def filename(self):
+        return self._filename
+
     @filename.setter
     def filename(self, filename):
         cv.check_type('filename', filename, str)
         self._filename = filename
 
+    @property
+    def color_by(self):
+        return self._color_by
+
     @color_by.setter
     def color_by(self, color_by):
         cv.check_value('plot color_by', color_by, ['cell', 'material'])
         self._color_by = color_by
 
+    @property
+    def background(self):
+        return self._background
+
     @background.setter
     def background(self, background):
         self._check_color('plot background', background)
         self._background = background
 
+    @property
+    def mask_components(self):
+        return self._mask_components
+
+    @mask_components.setter
+    def mask_components(self, mask_components):
+        cv.check_type('plot mask components', mask_components, Iterable,
+                      (openmc.Cell, openmc.Material, Integral))
+        self._mask_components = mask_components
+
+    @property
+    def mask_background(self):
+        return self._mask_background
+
+    @mask_background.setter
+    def mask_background(self, mask_background):
+        self._check_color('plot mask background', mask_background)
+        self._mask_background = mask_background
+
+    @property
+    def show_overlaps(self):
+        return self._show_overlaps
+
+    @show_overlaps.setter
+    def show_overlaps(self, show_overlaps):
+        cv.check_type(f'Show overlaps flag for Plot ID="{self.id}"',
+                      show_overlaps, bool)
+        self._show_overlaps = show_overlaps
+
+    @property
+    def overlap_color(self):
+        return self._overlap_color
+
+    @overlap_color.setter
+    def overlap_color(self, overlap_color):
+        self._check_color('plot overlap color', overlap_color)
+        self._overlap_color = overlap_color
+
+    @property
+    def colors(self):
+        return self._colors
+
     @colors.setter
     def colors(self, colors):
         cv.check_type('plot colors', colors, Mapping)
@@ -392,27 +410,9 @@ class PlotBase(IDManagerMixin):
             self._check_color('plot color value', value)
         self._colors = colors
 
-    @mask_components.setter
-    def mask_components(self, mask_components):
-        cv.check_type('plot mask components', mask_components, Iterable,
-                      (openmc.Cell, openmc.Material, Integral))
-        self._mask_components = mask_components
-
-    @mask_background.setter
-    def mask_background(self, mask_background):
-        self._check_color('plot mask background', mask_background)
-        self._mask_background = mask_background
-
-    @show_overlaps.setter
-    def show_overlaps(self, show_overlaps):
-        cv.check_type(f'Show overlaps flag for Plot ID="{self.id}"',
-                      show_overlaps, bool)
-        self._show_overlaps = show_overlaps
-
-    @overlap_color.setter
-    def overlap_color(self, overlap_color):
-        self._check_color('plot overlap color', overlap_color)
-        self._overlap_color = overlap_color
+    @property
+    def level(self):
+        return self._level
 
     @level.setter
     def level(self, plot_level):
@@ -584,44 +584,44 @@ class Plot(PlotBase):
     def width(self):
         return self._width
 
-    @property
-    def origin(self):
-        return self._origin
-
-    @property
-    def type(self):
-        return self._type
-
-    @property
-    def basis(self):
-        return self._basis
-
-    @property
-    def meshlines(self):
-        return self._meshlines
-
     @width.setter
     def width(self, width):
         cv.check_type('plot width', width, Iterable, Real)
         cv.check_length('plot width', width, 2, 3)
         self._width = width
 
+    @property
+    def origin(self):
+        return self._origin
+
     @origin.setter
     def origin(self, origin):
         cv.check_type('plot origin', origin, Iterable, Real)
         cv.check_length('plot origin', origin, 3)
         self._origin = origin
 
+    @property
+    def type(self):
+        return self._type
+
     @type.setter
     def type(self, plottype):
         cv.check_value('plot type', plottype, ['slice', 'voxel'])
         self._type = plottype
 
+    @property
+    def basis(self):
+        return self._basis
+
     @basis.setter
     def basis(self, basis):
         cv.check_value('plot basis', basis, _BASES)
         self._basis = basis
 
+    @property
+    def meshlines(self):
+        return self._meshlines
+
     @meshlines.setter
     def meshlines(self, meshlines):
         cv.check_type('plot meshlines', meshlines, dict)
@@ -1046,38 +1046,6 @@ class ProjectionPlot(PlotBase):
     def horizontal_field_of_view(self):
         return self._horizontal_field_of_view
 
-    @property
-    def camera_position(self):
-        return self._camera_position
-
-    @property
-    def look_at(self):
-        return self._look_at
-
-    @property
-    def up(self):
-        return self._up
-
-    @property
-    def orthographic_width(self):
-        return self._orthographic_width
-
-    @property
-    def wireframe_thickness(self):
-        return self._wireframe_thickness
-
-    @property
-    def wireframe_color(self):
-        return self._wireframe_color
-
-    @property
-    def wireframe_domains(self):
-        return self._wireframe_domains
-
-    @property
-    def xs(self):
-        return self._xs
-
     @horizontal_field_of_view.setter
     def horizontal_field_of_view(self, horizontal_field_of_view):
         cv.check_type('plot horizontal field of view', horizontal_field_of_view,
@@ -1086,30 +1054,50 @@ class ProjectionPlot(PlotBase):
         assert horizontal_field_of_view < 180.0
         self._horizontal_field_of_view = horizontal_field_of_view
 
+    @property
+    def camera_position(self):
+        return self._camera_position
+
     @camera_position.setter
     def camera_position(self, camera_position):
         cv.check_type('plot camera position', camera_position, Iterable, Real)
         cv.check_length('plot camera position', camera_position, 3)
         self._camera_position = camera_position
 
+    @property
+    def look_at(self):
+        return self._look_at
+
     @look_at.setter
     def look_at(self, look_at):
         cv.check_type('plot look at', look_at, Iterable, Real)
         cv.check_length('plot look at', look_at, 3)
         self._look_at = look_at
 
+    @property
+    def up(self):
+        return self._up
+
     @up.setter
     def up(self, up):
         cv.check_type('plot up', up, Iterable, Real)
         cv.check_length('plot up', up, 3)
         self._up = up
 
+    @property
+    def orthographic_width(self):
+        return self._orthographic_width
+
     @orthographic_width.setter
     def orthographic_width(self, orthographic_width):
         cv.check_type('plot orthographic width', orthographic_width, Real)
         assert orthographic_width >= 0.0
         self._orthographic_width = orthographic_width
 
+    @property
+    def wireframe_thickness(self):
+        return self._wireframe_thickness
+
     @wireframe_thickness.setter
     def wireframe_thickness(self, wireframe_thickness):
         cv.check_type('plot wireframe thickness',
@@ -1117,11 +1105,19 @@ class ProjectionPlot(PlotBase):
         assert wireframe_thickness >= 0
         self._wireframe_thickness = wireframe_thickness
 
+    @property
+    def wireframe_color(self):
+        return self._wireframe_color
+
     @wireframe_color.setter
     def wireframe_color(self, wireframe_color):
         self._check_color('plot wireframe color', wireframe_color)
         self._wireframe_color = wireframe_color
 
+    @property
+    def wireframe_domains(self):
+        return self._wireframe_domains
+
     @wireframe_domains.setter
     def wireframe_domains(self, wireframe_domains):
         for region in wireframe_domains:
@@ -1135,6 +1131,10 @@ class ProjectionPlot(PlotBase):
                             wireframe_region if color_by=cell')
         self._wireframe_domains = wireframe_domains
 
+    @property
+    def xs(self):
+        return self._xs
+
     @xs.setter
     def xs(self, xs):
         cv.check_type('plot xs', xs, Mapping)
diff --git a/openmc/settings.py b/openmc/settings.py
index 8b6d5f0fe..fbbb0c719 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -335,213 +335,6 @@ class Settings:
     def run_mode(self) -> str:
         return self._run_mode.value
 
-    @property
-    def batches(self) -> int:
-        return self._batches
-
-    @property
-    def generations_per_batch(self) -> int:
-        return self._generations_per_batch
-
-    @property
-    def inactive(self) -> int:
-        return self._inactive
-
-    @property
-    def max_lost_particles(self) -> int:
-        return self._max_lost_particles
-
-    @property
-    def rel_max_lost_particles(self) -> float:
-        return self._rel_max_lost_particles
-
-    @property
-    def particles(self) -> int:
-        return self._particles
-
-    @property
-    def keff_trigger(self) -> dict:
-        return self._keff_trigger
-
-    @property
-    def energy_mode(self) -> str:
-        return self._energy_mode
-
-    @property
-    def max_order(self) -> int:
-        return self._max_order
-
-    @property
-    def source(self) -> typing.List[Source]:
-        return self._source
-
-    @property
-    def confidence_intervals(self) -> bool:
-        return self._confidence_intervals
-
-    @property
-    def electron_treatment(self) -> str:
-        return self._electron_treatment
-
-    @property
-    def ptables(self) -> bool:
-        return self._ptables
-
-    @property
-    def photon_transport(self) -> bool:
-        return self._photon_transport
-
-    @property
-    def seed(self) -> int:
-        return self._seed
-
-    @property
-    def survival_biasing(self) -> bool:
-        return self._survival_biasing
-
-    @property
-    def entropy_mesh(self) -> RegularMesh:
-        return self._entropy_mesh
-
-    @property
-    def trigger_active(self) -> bool:
-        return self._trigger_active
-
-    @property
-    def trigger_max_batches(self) -> int:
-        return self._trigger_max_batches
-
-    @property
-    def trigger_batch_interval(self) -> int:
-        return self._trigger_batch_interval
-
-    @property
-    def output(self) -> dict:
-        return self._output
-
-    @property
-    def sourcepoint(self) -> dict:
-        return self._sourcepoint
-
-    @property
-    def statepoint(self) -> dict:
-        return self._statepoint
-
-    @property
-    def surf_source_read(self) -> dict:
-        return self._surf_source_read
-
-    @property
-    def surf_source_write(self) -> dict:
-        return self._surf_source_write
-
-    @property
-    def no_reduce(self) -> bool:
-        return self._no_reduce
-
-    @property
-    def verbosity(self) -> int:
-        return self._verbosity
-
-    @property
-    def tabular_legendre(self) -> dict:
-        return self._tabular_legendre
-
-    @property
-    def temperature(self) -> dict:
-        return self._temperature
-
-    @property
-    def trace(self) -> typing.Iterable:
-        return self._trace
-
-    @property
-    def track(self) -> typing.Iterable[typing.Iterable[int]]:
-        return self._track
-
-    @property
-    def cutoff(self) -> dict:
-        return self._cutoff
-
-    @property
-    def ufs_mesh(self) -> RegularMesh:
-        return self._ufs_mesh
-
-    @property
-    def resonance_scattering(self) -> dict:
-        return self._resonance_scattering
-
-    @property
-    def volume_calculations(self) -> typing.List[VolumeCalculation]:
-        return self._volume_calculations
-
-    @property
-    def create_fission_neutrons(self) -> bool:
-        return self._create_fission_neutrons
-
-    @property
-    def create_delayed_neutrons(self) -> bool:
-        return self._create_delayed_neutrons
-
-    @property
-    def delayed_photon_scaling(self) -> bool:
-        return self._delayed_photon_scaling
-
-    @property
-    def material_cell_offsets(self) -> bool:
-        return self._material_cell_offsets
-
-    @property
-    def log_grid_bins(self) -> int:
-        return self._log_grid_bins
-
-    @property
-    def event_based(self) -> bool:
-        return self._event_based
-
-    @property
-    def max_particles_in_flight(self) -> int:
-        return self._max_particles_in_flight
-
-    @property
-    def write_initial_source(self) -> bool:
-        return self._write_initial_source
-
-    @property
-    def weight_windows(self) -> typing.List[WeightWindows]:
-        return self._weight_windows
-
-    @property
-    def weight_windows_on(self) -> bool:
-        return self._weight_windows_on
-
-    @property
-    def weight_windows_file(self) -> Optional[PathLike]:
-        return self._weight_windows_file
-
-    @weight_windows_file.setter
-    def weight_windows_file(self, value: PathLike):
-        cv.check_type('weight windows file', value, (str, Path))
-        self._weight_windows_file = value
-
-    @property
-    def weight_window_generators(self) -> typing.List[WeightWindowGenerator]:
-        return self._weight_window_generators
-
-    @weight_window_generators.setter
-    def weight_window_generators(self, wwgs):
-        if not isinstance(wwgs, MutableSequence):
-            wwgs = [wwgs]
-        self._weight_window_generators = cv.CheckedList(WeightWindowGenerator, 'weight window generators', wwgs)
-
-    @property
-    def max_splits(self) -> int:
-        return self._max_splits
-
-    @property
-    def max_tracks(self) -> int:
-        return self._max_tracks
-
     @run_mode.setter
     def run_mode(self, run_mode: str):
         cv.check_value('run mode', run_mode, {x.value for x in RunMode})
@@ -549,30 +342,50 @@ class Settings:
             if mode.value == run_mode:
                 self._run_mode = mode
 
+    @property
+    def batches(self) -> int:
+        return self._batches
+
     @batches.setter
     def batches(self, batches: int):
         cv.check_type('batches', batches, Integral)
         cv.check_greater_than('batches', batches, 0)
         self._batches = batches
 
+    @property
+    def generations_per_batch(self) -> int:
+        return self._generations_per_batch
+
     @generations_per_batch.setter
     def generations_per_batch(self, generations_per_batch: int):
         cv.check_type('generations per patch', generations_per_batch, Integral)
         cv.check_greater_than('generations per batch', generations_per_batch, 0)
         self._generations_per_batch = generations_per_batch
 
+    @property
+    def inactive(self) -> int:
+        return self._inactive
+
     @inactive.setter
     def inactive(self, inactive: int):
         cv.check_type('inactive batches', inactive, Integral)
         cv.check_greater_than('inactive batches', inactive, 0, True)
         self._inactive = inactive
 
+    @property
+    def max_lost_particles(self) -> int:
+        return self._max_lost_particles
+
     @max_lost_particles.setter
     def max_lost_particles(self, max_lost_particles: int):
         cv.check_type('max_lost_particles', max_lost_particles, Integral)
         cv.check_greater_than('max_lost_particles', max_lost_particles, 0)
         self._max_lost_particles = max_lost_particles
 
+    @property
+    def rel_max_lost_particles(self) -> float:
+        return self._rel_max_lost_particles
+
     @rel_max_lost_particles.setter
     def rel_max_lost_particles(self, rel_max_lost_particles: float):
         cv.check_type('rel_max_lost_particles', rel_max_lost_particles, Real)
@@ -580,12 +393,20 @@ class Settings:
         cv.check_less_than('rel_max_lost_particles', rel_max_lost_particles, 1)
         self._rel_max_lost_particles = rel_max_lost_particles
 
+    @property
+    def particles(self) -> int:
+        return self._particles
+
     @particles.setter
     def particles(self, particles: int):
         cv.check_type('particles', particles, Integral)
         cv.check_greater_than('particles', particles, 0)
         self._particles = particles
 
+    @property
+    def keff_trigger(self) -> dict:
+        return self._keff_trigger
+
     @keff_trigger.setter
     def keff_trigger(self, keff_trigger: dict):
         if not isinstance(keff_trigger, dict):
@@ -615,12 +436,20 @@ class Settings:
 
         self._keff_trigger = keff_trigger
 
+    @property
+    def energy_mode(self) -> str:
+        return self._energy_mode
+
     @energy_mode.setter
     def energy_mode(self, energy_mode: str):
         cv.check_value('energy mode', energy_mode,
                     ['continuous-energy', 'multi-group'])
         self._energy_mode = energy_mode
 
+    @property
+    def max_order(self) -> int:
+        return self._max_order
+
     @max_order.setter
     def max_order(self, max_order: Optional[int]):
         if max_order is not None:
@@ -629,12 +458,113 @@ class Settings:
                                   True)
         self._max_order = max_order
 
+    @property
+    def source(self) -> typing.List[Source]:
+        return self._source
+
     @source.setter
     def source(self, source: typing.Union[Source, typing.Iterable[Source]]):
         if not isinstance(source, MutableSequence):
             source = [source]
         self._source = cv.CheckedList(Source, 'source distributions', source)
 
+    @property
+    def confidence_intervals(self) -> bool:
+        return self._confidence_intervals
+
+    @confidence_intervals.setter
+    def confidence_intervals(self, confidence_intervals: bool):
+        cv.check_type('confidence interval', confidence_intervals, bool)
+        self._confidence_intervals = confidence_intervals
+
+    @property
+    def electron_treatment(self) -> str:
+        return self._electron_treatment
+
+    @electron_treatment.setter
+    def electron_treatment(self, electron_treatment: str):
+        cv.check_value('electron treatment', electron_treatment, ['led', 'ttb'])
+        self._electron_treatment = electron_treatment
+
+    @property
+    def ptables(self) -> bool:
+        return self._ptables
+
+    @ptables.setter
+    def ptables(self, ptables: bool):
+        cv.check_type('probability tables', ptables, bool)
+        self._ptables = ptables
+
+    @property
+    def photon_transport(self) -> bool:
+        return self._photon_transport
+
+    @photon_transport.setter
+    def photon_transport(self, photon_transport: bool):
+        cv.check_type('photon transport', photon_transport, bool)
+        self._photon_transport = photon_transport
+
+    @property
+    def seed(self) -> int:
+        return self._seed
+
+    @seed.setter
+    def seed(self, seed: int):
+        cv.check_type('random number generator seed', seed, Integral)
+        cv.check_greater_than('random number generator seed', seed, 0)
+        self._seed = seed
+
+    @property
+    def survival_biasing(self) -> bool:
+        return self._survival_biasing
+
+    @survival_biasing.setter
+    def survival_biasing(self, survival_biasing: bool):
+        cv.check_type('survival biasing', survival_biasing, bool)
+        self._survival_biasing = survival_biasing
+
+    @property
+    def entropy_mesh(self) -> RegularMesh:
+        return self._entropy_mesh
+
+    @entropy_mesh.setter
+    def entropy_mesh(self, entropy: RegularMesh):
+        cv.check_type('entropy mesh', entropy, RegularMesh)
+        self._entropy_mesh = entropy
+
+    @property
+    def trigger_active(self) -> bool:
+        return self._trigger_active
+
+    @trigger_active.setter
+    def trigger_active(self, trigger_active: bool):
+        cv.check_type('trigger active', trigger_active, bool)
+        self._trigger_active = trigger_active
+
+    @property
+    def trigger_max_batches(self) -> int:
+        return self._trigger_max_batches
+
+    @trigger_max_batches.setter
+    def trigger_max_batches(self, trigger_max_batches: int):
+        cv.check_type('trigger maximum batches', trigger_max_batches, Integral)
+        cv.check_greater_than('trigger maximum batches', trigger_max_batches, 0)
+        self._trigger_max_batches = trigger_max_batches
+
+    @property
+    def trigger_batch_interval(self) -> int:
+        return self._trigger_batch_interval
+
+    @trigger_batch_interval.setter
+    def trigger_batch_interval(self, trigger_batch_interval: int):
+        cv.check_type('trigger batch interval', trigger_batch_interval, Integral)
+        cv.check_greater_than('trigger batch interval', trigger_batch_interval, 0)
+        self._trigger_batch_interval = trigger_batch_interval
+
+    @property
+    def output(self) -> dict:
+        return self._output
+
     @output.setter
     def output(self, output: dict):
         cv.check_type('output', output, Mapping)
@@ -646,12 +576,9 @@ class Settings:
                 cv.check_type("output['path']", value, str)
         self._output = output
 
-    @verbosity.setter
-    def verbosity(self, verbosity: int):
-        cv.check_type('verbosity', verbosity, Integral)
-        cv.check_greater_than('verbosity', verbosity, 1, True)
-        cv.check_less_than('verbosity', verbosity, 10, True)
-        self._verbosity = verbosity
+    @property
+    def sourcepoint(self) -> dict:
+        return self._sourcepoint
 
     @sourcepoint.setter
     def sourcepoint(self, sourcepoint: dict):
@@ -674,6 +601,10 @@ class Settings:
                                  "setting sourcepoint options.")
         self._sourcepoint = sourcepoint
 
+    @property
+    def statepoint(self) -> dict:
+        return self._statepoint
+
     @statepoint.setter
     def statepoint(self, statepoint: dict):
         cv.check_type('statepoint options', statepoint, Mapping)
@@ -687,6 +618,10 @@ class Settings:
                                  "setting statepoint options.")
         self._statepoint = statepoint
 
+    @property
+    def surf_source_read(self) -> dict:
+        return self._surf_source_read
+
     @surf_source_read.setter
     def surf_source_read(self, surf_source_read: dict):
         cv.check_type('surface source reading options', surf_source_read, Mapping)
@@ -697,6 +632,10 @@ class Settings:
                 cv.check_type('path to surface source file', value, str)
         self._surf_source_read = surf_source_read
 
+    @property
+    def surf_source_write(self) -> dict:
+        return self._surf_source_write
+
     @surf_source_write.setter
     def surf_source_write(self, surf_source_write: dict):
         cv.check_type('surface source writing options', surf_source_write, Mapping)
@@ -719,88 +658,30 @@ class Settings:
 
         self._surf_source_write = surf_source_write
 
-    @confidence_intervals.setter
-    def confidence_intervals(self, confidence_intervals: bool):
-        cv.check_type('confidence interval', confidence_intervals, bool)
-        self._confidence_intervals = confidence_intervals
-
-    @electron_treatment.setter
-    def electron_treatment(self, electron_treatment: str):
-        cv.check_value('electron treatment', electron_treatment, ['led', 'ttb'])
-        self._electron_treatment = electron_treatment
-
-    @photon_transport.setter
-    def photon_transport(self, photon_transport: bool):
-        cv.check_type('photon transport', photon_transport, bool)
-        self._photon_transport = photon_transport
-
-    @ptables.setter
-    def ptables(self, ptables: bool):
-        cv.check_type('probability tables', ptables, bool)
-        self._ptables = ptables
-
-    @seed.setter
-    def seed(self, seed: int):
-        cv.check_type('random number generator seed', seed, Integral)
-        cv.check_greater_than('random number generator seed', seed, 0)
-        self._seed = seed
-
-    @survival_biasing.setter
-    def survival_biasing(self, survival_biasing: bool):
-        cv.check_type('survival biasing', survival_biasing, bool)
-        self._survival_biasing = survival_biasing
-
-    @cutoff.setter
-    def cutoff(self, cutoff: dict):
-        if not isinstance(cutoff, Mapping):
-            msg = f'Unable to set cutoff from "{cutoff}" which is not a '\
-                  'Python dictionary'
-            raise ValueError(msg)
-        for key in cutoff:
-            if key == 'weight':
-                cv.check_type('weight cutoff', cutoff[key], Real)
-                cv.check_greater_than('weight cutoff', cutoff[key], 0.0)
-            elif key == 'weight_avg':
-                cv.check_type('average survival weight', cutoff[key], Real)
-                cv.check_greater_than('average survival weight',
-                                      cutoff[key], 0.0)
-            elif key in ['energy_neutron', 'energy_photon', 'energy_electron',
-                         'energy_positron']:
-                cv.check_type('energy cutoff', cutoff[key], Real)
-                cv.check_greater_than('energy cutoff', cutoff[key], 0.0)
-            else:
-                msg = f'Unable to set cutoff to "{key}" which is unsupported ' \
-                      'by OpenMC'
-
-        self._cutoff = cutoff
-
-    @entropy_mesh.setter
-    def entropy_mesh(self, entropy: RegularMesh):
-        cv.check_type('entropy mesh', entropy, RegularMesh)
-        self._entropy_mesh = entropy
-
-    @trigger_active.setter
-    def trigger_active(self, trigger_active: bool):
-        cv.check_type('trigger active', trigger_active, bool)
-        self._trigger_active = trigger_active
-
-    @trigger_max_batches.setter
-    def trigger_max_batches(self, trigger_max_batches: int):
-        cv.check_type('trigger maximum batches', trigger_max_batches, Integral)
-        cv.check_greater_than('trigger maximum batches', trigger_max_batches, 0)
-        self._trigger_max_batches = trigger_max_batches
-
-    @trigger_batch_interval.setter
-    def trigger_batch_interval(self, trigger_batch_interval: int):
-        cv.check_type('trigger batch interval', trigger_batch_interval, Integral)
-        cv.check_greater_than('trigger batch interval', trigger_batch_interval, 0)
-        self._trigger_batch_interval = trigger_batch_interval
+    @property
+    def no_reduce(self) -> bool:
+        return self._no_reduce
 
     @no_reduce.setter
     def no_reduce(self, no_reduce: bool):
         cv.check_type('no reduction option', no_reduce, bool)
         self._no_reduce = no_reduce
 
+    @property
+    def verbosity(self) -> int:
+        return self._verbosity
+
+    @verbosity.setter
+    def verbosity(self, verbosity: int):
+        cv.check_type('verbosity', verbosity, Integral)
+        cv.check_greater_than('verbosity', verbosity, 1, True)
+        cv.check_less_than('verbosity', verbosity, 10, True)
+        self._verbosity = verbosity
+
+    @property
+    def tabular_legendre(self) -> dict:
+        return self._tabular_legendre
+
     @tabular_legendre.setter
     def tabular_legendre(self, tabular_legendre: dict):
         cv.check_type('tabular_legendre settings', tabular_legendre, Mapping)
@@ -814,6 +695,10 @@ class Settings:
                 cv.check_greater_than('num_points tabular_legendre', value, 0)
         self._tabular_legendre = tabular_legendre
 
+    @property
+    def temperature(self) -> dict:
+        return self._temperature
+
     @temperature.setter
     def temperature(self, temperature: dict):
 
@@ -838,6 +723,10 @@ class Settings:
 
         self._temperature = temperature
 
+    @property
+    def trace(self) -> typing.Iterable:
+        return self._trace
+
     @trace.setter
     def trace(self, trace: Iterable):
         cv.check_type('trace', trace, Iterable, Integral)
@@ -847,6 +736,10 @@ class Settings:
         cv.check_greater_than('trace particle', trace[2], 0)
         self._trace = trace
 
+    @property
+    def track(self) -> typing.Iterable[typing.Iterable[int]]:
+        return self._track
+
     @track.setter
     def track(self, track: typing.Iterable[typing.Iterable[int]]):
         cv.check_type('track', track, Iterable)
@@ -862,6 +755,38 @@ class Settings:
             cv.check_type('track particle', t[2], Integral)
         self._track = track
 
+    @property
+    def cutoff(self) -> dict:
+        return self._cutoff
+
+    @cutoff.setter
+    def cutoff(self, cutoff: dict):
+        if not isinstance(cutoff, Mapping):
+            msg = f'Unable to set cutoff from "{cutoff}" which is not a '\
+                  'Python dictionary'
+            raise ValueError(msg)
+        for key in cutoff:
+            if key == 'weight':
+                cv.check_type('weight cutoff', cutoff[key], Real)
+                cv.check_greater_than('weight cutoff', cutoff[key], 0.0)
+            elif key == 'weight_avg':
+                cv.check_type('average survival weight', cutoff[key], Real)
+                cv.check_greater_than('average survival weight',
+                                      cutoff[key], 0.0)
+            elif key in ['energy_neutron', 'energy_photon', 'energy_electron',
+                         'energy_positron']:
+                cv.check_type('energy cutoff', cutoff[key], Real)
+                cv.check_greater_than('energy cutoff', cutoff[key], 0.0)
+            else:
+                msg = f'Unable to set cutoff to "{key}" which is unsupported ' \
+                      'by OpenMC'
+
+        self._cutoff = cutoff
+
+    @property
+    def ufs_mesh(self) -> RegularMesh:
+        return self._ufs_mesh
+
     @ufs_mesh.setter
     def ufs_mesh(self, ufs_mesh: RegularMesh):
         cv.check_type('UFS mesh', ufs_mesh, RegularMesh)
@@ -870,6 +795,10 @@ class Settings:
         cv.check_length('UFS mesh upper-right corner', ufs_mesh.upper_right, 3)
         self._ufs_mesh = ufs_mesh
 
+    @property
+    def resonance_scattering(self) -> dict:
+        return self._resonance_scattering
+
     @resonance_scattering.setter
     def resonance_scattering(self, res: dict):
         cv.check_type('resonance scattering settings', res, Mapping)
@@ -894,6 +823,10 @@ class Settings:
                               Iterable, str)
         self._resonance_scattering = res
 
+    @property
+    def volume_calculations(self) -> typing.List[VolumeCalculation]:
+        return self._volume_calculations
+
     @volume_calculations.setter
     def volume_calculations(
         self, vol_calcs: typing.Union[VolumeCalculation, typing.Iterable[VolumeCalculation]]
@@ -903,73 +836,140 @@ class Settings:
         self._volume_calculations = cv.CheckedList(
             VolumeCalculation, 'stochastic volume calculations', vol_calcs)
 
+    @property
+    def create_fission_neutrons(self) -> bool:
+        return self._create_fission_neutrons
+
     @create_fission_neutrons.setter
     def create_fission_neutrons(self, create_fission_neutrons: bool):
         cv.check_type('Whether create fission neutrons',
                       create_fission_neutrons, bool)
         self._create_fission_neutrons = create_fission_neutrons
 
+    @property
+    def create_delayed_neutrons(self) -> bool:
+        return self._create_delayed_neutrons
+
     @create_delayed_neutrons.setter
     def create_delayed_neutrons(self, create_delayed_neutrons: bool):
         cv.check_type('Whether create only prompt neutrons',
                       create_delayed_neutrons, bool)
         self._create_delayed_neutrons = create_delayed_neutrons
 
+    @property
+    def delayed_photon_scaling(self) -> bool:
+        return self._delayed_photon_scaling
+
     @delayed_photon_scaling.setter
     def delayed_photon_scaling(self, value: bool):
         cv.check_type('delayed photon scaling', value, bool)
         self._delayed_photon_scaling = value
 
-    @event_based.setter
-    def event_based(self, value: bool):
-        cv.check_type('event based', value, bool)
-        self._event_based = value
-
-    @max_particles_in_flight.setter
-    def max_particles_in_flight(self, value: int):
-        cv.check_type('max particles in flight', value, Integral)
-        cv.check_greater_than('max particles in flight', value, 0)
-        self._max_particles_in_flight = value
+    @property
+    def material_cell_offsets(self) -> bool:
+        return self._material_cell_offsets
 
     @material_cell_offsets.setter
     def material_cell_offsets(self, value: bool):
         cv.check_type('material cell offsets', value, bool)
         self._material_cell_offsets = value
 
+    @property
+    def log_grid_bins(self) -> int:
+        return self._log_grid_bins
+
     @log_grid_bins.setter
     def log_grid_bins(self, log_grid_bins: int):
         cv.check_type('log grid bins', log_grid_bins, Real)
         cv.check_greater_than('log grid bins', log_grid_bins, 0)
         self._log_grid_bins = log_grid_bins
 
+    @property
+    def event_based(self) -> bool:
+        return self._event_based
+
+    @event_based.setter
+    def event_based(self, value: bool):
+        cv.check_type('event based', value, bool)
+        self._event_based = value
+
+    @property
+    def max_particles_in_flight(self) -> int:
+        return self._max_particles_in_flight
+
+    @max_particles_in_flight.setter
+    def max_particles_in_flight(self, value: int):
+        cv.check_type('max particles in flight', value, Integral)
+        cv.check_greater_than('max particles in flight', value, 0)
+        self._max_particles_in_flight = value
+
+    @property
+    def write_initial_source(self) -> bool:
+        return self._write_initial_source
+
     @write_initial_source.setter
     def write_initial_source(self, value: bool):
         cv.check_type('write initial source', value, bool)
         self._write_initial_source = value
 
+    @property
+    def weight_windows(self) -> typing.List[WeightWindows]:
+        return self._weight_windows
+
     @weight_windows.setter
     def weight_windows(self, value: typing.Union[WeightWindows, typing.Iterable[WeightWindows]]):
         if not isinstance(value, MutableSequence):
             value = [value]
         self._weight_windows = cv.CheckedList(WeightWindows, 'weight windows', value)
 
+    @property
+    def weight_windows_on(self) -> bool:
+        return self._weight_windows_on
+
     @weight_windows_on.setter
     def weight_windows_on(self, value: bool):
         cv.check_type('weight windows on', value, bool)
         self._weight_windows_on = value
 
+    @property
+    def max_splits(self) -> int:
+        return self._max_splits
+
     @max_splits.setter
     def max_splits(self, value: int):
         cv.check_type('maximum particle splits', value, Integral)
         cv.check_greater_than('max particle splits', value, 0)
         self._max_splits = value
 
+    @property
+    def max_tracks(self) -> int:
+        return self._max_tracks
+
     @max_tracks.setter
     def max_tracks(self, value: int):
         cv.check_type('maximum particle tracks', value, Integral)
         cv.check_greater_than('maximum particle tracks', value, 0, True)
         self._max_tracks = value
 
+    @property
+    def weight_windows_file(self) -> Optional[PathLike]:
+        return self._weight_windows_file
+
+    @weight_windows_file.setter
+    def weight_windows_file(self, value: PathLike):
+        cv.check_type('weight windows file', value, (str, Path))
+        self._weight_windows_file = value
+
+    @property
+    def weight_window_generators(self) -> typing.List[WeightWindowGenerator]:
+        return self._weight_window_generators
+
+    @weight_window_generators.setter
+    def weight_window_generators(self, wwgs):
+        if not isinstance(wwgs, MutableSequence):
+            wwgs = [wwgs]
+        self._weight_window_generators = cv.CheckedList(WeightWindowGenerator, 'weight window generators', wwgs)
+        
     def _create_run_mode_subelement(self, root):
         elem = ET.SubElement(root, "run_mode")
         elem.text = self._run_mode.value
diff --git a/openmc/source.py b/openmc/source.py
index cc68c9535..150830cc8 100644
--- a/openmc/source.py
+++ b/openmc/source.py
@@ -127,102 +127,102 @@ class Source:
     def file(self):
         return self._file
 
-    @property
-    def library(self):
-        return self._library
-
-    @property
-    def parameters(self):
-        return self._parameters
-
-    @property
-    def space(self):
-        return self._space
-
-    @property
-    def angle(self):
-        return self._angle
-
-    @property
-    def energy(self):
-        return self._energy
-
-    @property
-    def time(self):
-        return self._time
-
-    @property
-    def strength(self):
-        return self._strength
-
-    @property
-    def particle(self):
-        return self._particle
-
-    @property
-    def domain_ids(self):
-        return self._domain_ids
-
-    @property
-    def domain_type(self):
-        return self._domain_type
-
-    @domain_ids.setter
-    def domain_ids(self, ids):
-        cv.check_type('domain IDs', ids, Iterable, Real)
-        self._domain_ids = ids
-
-    @domain_type.setter
-    def domain_type(self, domain_type):
-        cv.check_value('domain type', domain_type, ('cell', 'material', 'universe'))
-        self._domain_type = domain_type
-
     @file.setter
     def file(self, filename):
         cv.check_type('source file', filename, str)
         self._file = filename
 
+    @property
+    def library(self):
+        return self._library
+
     @library.setter
     def library(self, library_name):
         cv.check_type('library', library_name, str)
         self._library = library_name
 
+    @property
+    def parameters(self):
+        return self._parameters
+
     @parameters.setter
     def parameters(self, parameters_path):
         cv.check_type('parameters', parameters_path, str)
         self._parameters = parameters_path
 
+    @property
+    def space(self):
+        return self._space
+
     @space.setter
     def space(self, space):
         cv.check_type('spatial distribution', space, Spatial)
         self._space = space
 
+    @property
+    def angle(self):
+        return self._angle
+
     @angle.setter
     def angle(self, angle):
         cv.check_type('angular distribution', angle, UnitSphere)
         self._angle = angle
 
+    @property
+    def energy(self):
+        return self._energy
+
     @energy.setter
     def energy(self, energy):
         cv.check_type('energy distribution', energy, Univariate)
         self._energy = energy
 
+    @property
+    def time(self):
+        return self._time
+
     @time.setter
     def time(self, time):
         cv.check_type('time distribution', time, Univariate)
         self._time = time
 
+    @property
+    def strength(self):
+        return self._strength
+
     @strength.setter
     def strength(self, strength):
         cv.check_type('source strength', strength, Real)
         cv.check_greater_than('source strength', strength, 0.0, True)
         self._strength = strength
 
+    @property
+    def particle(self):
+        return self._particle
+
     @particle.setter
     def particle(self, particle):
         cv.check_value('source particle', particle, ['neutron', 'photon'])
         self._particle = particle
 
+    @property
+    def domain_ids(self):
+        return self._domain_ids
+
+    @domain_ids.setter
+    def domain_ids(self, ids):
+        cv.check_type('domain IDs', ids, Iterable, Real)
+        self._domain_ids = ids
+
+    @property
+    def domain_type(self):
+        return self._domain_type
+
+    @domain_type.setter
+    def domain_type(self, domain_type):
+        cv.check_value('domain type', domain_type, ('cell', 'material', 'universe'))
+        self._domain_type = domain_type
+
     def to_xml_element(self) -> ET.Element:
         """Return XML representation of the source
 
diff --git a/openmc/statepoint.py b/openmc/statepoint.py
index 7c1ecd137..f6df01bd4 100644
--- a/openmc/statepoint.py
+++ b/openmc/statepoint.py
@@ -367,6 +367,26 @@ class StatePoint:
     def sparse(self):
         return self._sparse
 
+    @sparse.setter
+    def sparse(self, sparse):
+        """Convert tally data from NumPy arrays to SciPy list of lists (LIL)
+        sparse matrices, and vice versa.
+
+        This property may be used to reduce the amount of data in memory during
+        tally data processing. The tally data will be stored as SciPy LIL
+        matrices internally within each Tally object. All tally data access
+        properties and methods will return data as a dense NumPy array.
+
+        """
+
+        cv.check_type('sparse', sparse, bool)
+        self._sparse = sparse
+
+        # Update tally sparsities
+        if self._tallies_read:
+            for tally_id in self.tallies:
+                self.tallies[tally_id].sparse = self.sparse
+
     @property
     def tallies(self):
         if self.tallies_present and not self._tallies_read:
@@ -484,26 +504,6 @@ class StatePoint:
     def summary(self):
         return self._summary
 
-    @sparse.setter
-    def sparse(self, sparse):
-        """Convert tally data from NumPy arrays to SciPy list of lists (LIL)
-        sparse matrices, and vice versa.
-
-        This property may be used to reduce the amount of data in memory during
-        tally data processing. The tally data will be stored as SciPy LIL
-        matrices internally within each Tally object. All tally data access
-        properties and methods will return data as a dense NumPy array.
-
-        """
-
-        cv.check_type('sparse', sparse, bool)
-        self._sparse = sparse
-
-        # Update tally sparsities
-        if self._tallies_read:
-            for tally_id in self.tallies:
-                self.tallies[tally_id].sparse = self.sparse
-
     def close(self):
         """Close the statepoint HDF5 file and the corresponding
         summary HDF5 file if present.
diff --git a/openmc/stats/multivariate.py b/openmc/stats/multivariate.py
index 190dfd64d..058bee7da 100644
--- a/openmc/stats/multivariate.py
+++ b/openmc/stats/multivariate.py
@@ -102,15 +102,15 @@ class PolarAzimuthal(UnitSphere):
     def mu(self):
         return self._mu
 
-    @property
-    def phi(self):
-        return self._phi
-
     @mu.setter
     def mu(self, mu):
         cv.check_type('cosine of polar angle', mu, Univariate)
         self._mu = mu
 
+    @property
+    def phi(self):
+        return self._phi
+
     @phi.setter
     def phi(self, phi):
         cv.check_type('azimuthal angle', phi, Univariate)
@@ -313,24 +313,24 @@ class CartesianIndependent(Spatial):
     def x(self):
         return self._x
 
-    @property
-    def y(self):
-        return self._y
-
-    @property
-    def z(self):
-        return self._z
-
     @x.setter
     def x(self, x):
         cv.check_type('x coordinate', x, Univariate)
         self._x = x
 
+    @property
+    def y(self):
+        return self._y
+
     @y.setter
     def y(self, y):
         cv.check_type('y coordinate', y, Univariate)
         self._y = y
 
+    @property
+    def z(self):
+        return self._z
+
     @z.setter
     def z(self, z):
         cv.check_type('z coordinate', z, Univariate)
@@ -426,33 +426,33 @@ class SphericalIndependent(Spatial):
     def r(self):
         return self._r
 
-    @property
-    def cos_theta(self):
-        return self._cos_theta
-
-    @property
-    def phi(self):
-        return self._phi
-
-    @property
-    def origin(self):
-        return self._origin
-
     @r.setter
     def r(self, r):
         cv.check_type('r coordinate', r, Univariate)
         self._r = r
 
+    @property
+    def cos_theta(self):
+        return self._cos_theta
+
     @cos_theta.setter
     def cos_theta(self, cos_theta):
         cv.check_type('cos_theta coordinate', cos_theta, Univariate)
         self._cos_theta = cos_theta
 
+    @property
+    def phi(self):
+        return self._phi
+
     @phi.setter
     def phi(self, phi):
         cv.check_type('phi coordinate', phi, Univariate)
         self._phi = phi
 
+    @property
+    def origin(self):
+        return self._origin
+
     @origin.setter
     def origin(self, origin):
         cv.check_type('origin coordinates', origin, Iterable, Real)
@@ -548,33 +548,33 @@ class CylindricalIndependent(Spatial):
     def r(self):
         return self._r
 
-    @property
-    def phi(self):
-        return self._phi
-
-    @property
-    def z(self):
-        return self._z
-
-    @property
-    def origin(self):
-        return self._origin
-
     @r.setter
     def r(self, r):
         cv.check_type('r coordinate', r, Univariate)
         self._r = r
 
+    @property
+    def phi(self):
+        return self._phi
+
     @phi.setter
     def phi(self, phi):
         cv.check_type('phi coordinate', phi, Univariate)
         self._phi = phi
 
+    @property
+    def z(self):
+        return self._z
+
     @z.setter
     def z(self, z):
         cv.check_type('z coordinate', z, Univariate)
         self._z = z
 
+    @property
+    def origin(self):
+        return self._origin
+
     @origin.setter
     def origin(self, origin):
         cv.check_type('origin coordinates', origin, Iterable, Real)
@@ -781,26 +781,26 @@ class Box(Spatial):
     def lower_left(self):
         return self._lower_left
 
-    @property
-    def upper_right(self):
-        return self._upper_right
-
-    @property
-    def only_fissionable(self):
-        return self._only_fissionable
-
     @lower_left.setter
     def lower_left(self, lower_left):
         cv.check_type('lower left coordinate', lower_left, Iterable, Real)
         cv.check_length('lower left coordinate', lower_left, 3)
         self._lower_left = lower_left
 
+    @property
+    def upper_right(self):
+        return self._upper_right
+
     @upper_right.setter
     def upper_right(self, upper_right):
         cv.check_type('upper right coordinate', upper_right, Iterable, Real)
         cv.check_length('upper right coordinate', upper_right, 3)
         self._upper_right = upper_right
 
+    @property
+    def only_fissionable(self):
+        return self._only_fissionable
+
     @only_fissionable.setter
     def only_fissionable(self, only_fissionable):
         cv.check_type('only fissionable', only_fissionable, bool)
diff --git a/openmc/stats/univariate.py b/openmc/stats/univariate.py
index b98b87d6f..5625d26ac 100644
--- a/openmc/stats/univariate.py
+++ b/openmc/stats/univariate.py
@@ -130,10 +130,6 @@ class Discrete(Univariate):
     def x(self):
         return self._x
 
-    @property
-    def p(self):
-        return self._p
-
     @x.setter
     def x(self, x):
         if isinstance(x, Real):
@@ -141,6 +137,10 @@ class Discrete(Univariate):
         cv.check_type('discrete values', x, Iterable, Real)
         self._x = np.array(x, dtype=float)
 
+    @property
+    def p(self):
+        return self._p
+
     @p.setter
     def p(self, p):
         if isinstance(p, Real):
@@ -282,15 +282,15 @@ class Uniform(Univariate):
     def a(self):
         return self._a
 
-    @property
-    def b(self):
-        return self._b
-
     @a.setter
     def a(self, a):
         cv.check_type('Uniform a', a, Real)
         self._a = a
 
+    @property
+    def b(self):
+        return self._b
+
     @b.setter
     def b(self, b):
         cv.check_type('Uniform b', b, Real)
@@ -384,24 +384,24 @@ class PowerLaw(Univariate):
     def a(self):
         return self._a
 
-    @property
-    def b(self):
-        return self._b
-
-    @property
-    def n(self):
-        return self._n
-
     @a.setter
     def a(self, a):
         cv.check_type('interval lower bound', a, Real)
         self._a = a
 
+    @property
+    def b(self):
+        return self._b
+
     @b.setter
     def b(self, b):
         cv.check_type('interval upper bound', b, Real)
         self._b = b
 
+    @property
+    def n(self):
+        return self._n
+
     @n.setter
     def n(self, n):
         cv.check_type('power law exponent', n, Real)
@@ -570,16 +570,16 @@ class Watt(Univariate):
     def a(self):
         return self._a
 
-    @property
-    def b(self):
-        return self._b
-
     @a.setter
     def a(self, a):
         cv.check_type('Watt a', a, Real)
         cv.check_greater_than('Watt a', a, 0.0)
         self._a = a
 
+    @property
+    def b(self):
+        return self._b
+
     @b.setter
     def b(self, b):
         cv.check_type('Watt b', b, Real)
@@ -664,15 +664,15 @@ class Normal(Univariate):
     def mean_value(self):
         return self._mean_value
 
-    @property
-    def std_dev(self):
-        return self._std_dev
-
     @mean_value.setter
     def mean_value(self, mean_value):
         cv.check_type('Normal mean_value', mean_value, Real)
         self._mean_value = mean_value
 
+    @property
+    def std_dev(self):
+        return self._std_dev
+
     @std_dev.setter
     def std_dev(self, std_dev):
         cv.check_type('Normal std_dev', std_dev, Real)
@@ -807,19 +807,15 @@ class Tabular(Univariate):
     def x(self):
         return self._x
 
-    @property
-    def p(self):
-        return self._p
-
-    @property
-    def interpolation(self):
-        return self._interpolation
-
     @x.setter
     def x(self, x):
         cv.check_type('tabulated values', x, Iterable, Real)
         self._x = np.array(x, dtype=float)
 
+    @property
+    def p(self):
+        return self._p
+
     @p.setter
     def p(self, p):
         cv.check_type('tabulated probabilities', p, Iterable, Real)
@@ -828,6 +824,10 @@ class Tabular(Univariate):
                 cv.check_greater_than('tabulated probability', pk, 0.0, True)
         self._p = np.array(p, dtype=float)
 
+    @property
+    def interpolation(self):
+        return self._interpolation
+
     @interpolation.setter
     def interpolation(self, interpolation):
         cv.check_value('interpolation', interpolation, _INTERPOLATION_SCHEMES)
@@ -1093,10 +1093,6 @@ class Mixture(Univariate):
     def probability(self):
         return self._probability
 
-    @property
-    def distribution(self):
-        return self._distribution
-
     @probability.setter
     def probability(self, probability):
         cv.check_type('mixture distribution probabilities', probability,
@@ -1106,6 +1102,10 @@ class Mixture(Univariate):
                                   p, 0.0, True)
         self._probability = probability
 
+    @property
+    def distribution(self):
+        return self._distribution
+
     @distribution.setter
     def distribution(self, distribution):
         cv.check_type('mixture distribution components', distribution,
diff --git a/openmc/surface.py b/openmc/surface.py
index b195c0af2..1f35e7bff 100644
--- a/openmc/surface.py
+++ b/openmc/surface.py
@@ -185,18 +185,6 @@ class Surface(IDManagerMixin, ABC):
     def name(self):
         return self._name
 
-    @property
-    def type(self):
-        return self._type
-
-    @property
-    def boundary_type(self):
-        return self._boundary_type
-
-    @property
-    def coefficients(self):
-        return self._coefficients
-
     @name.setter
     def name(self, name):
         if name is not None:
@@ -205,12 +193,24 @@ class Surface(IDManagerMixin, ABC):
         else:
             self._name = ''
 
+    @property
+    def type(self):
+        return self._type
+
+    @property
+    def boundary_type(self):
+        return self._boundary_type
+
     @boundary_type.setter
     def boundary_type(self, boundary_type):
         check_type('boundary type', boundary_type, str)
         check_value('boundary type', boundary_type, _BOUNDARY_TYPES)
         self._boundary_type = boundary_type
 
+    @property
+    def coefficients(self):
+        return self._coefficients
+
     def bounding_box(self, side):
         """Determine an axis-aligned bounding box.
 
diff --git a/openmc/tallies.py b/openmc/tallies.py
index 6f56fbb64..5de00f43c 100644
--- a/openmc/tallies.py
+++ b/openmc/tallies.py
@@ -150,18 +150,61 @@ class Tally(IDManagerMixin):
     def name(self):
         return self._name
 
+    @name.setter
+    def name(self, name):
+        cv.check_type('tally name', name, str, none_ok=True)
+        self._name = name
+
     @property
     def multiply_density(self):
         return self._multiply_density
 
+    @multiply_density.setter
+    def multiply_density(self, value):
+        cv.check_type('multiply density', value, bool)
+        self._multiply_density = value
+
     @property
     def filters(self):
         return self._filters
 
+    @filters.setter
+    def filters(self, filters):
+        cv.check_type('tally filters', filters, MutableSequence)
+
+        # If the filter is already in the Tally, raise an error
+        visited_filters = set()
+        for f in filters:
+            if f in visited_filters:
+                msg = (f'Unable to add a duplicate filter "{f}" to Tally '
+                       f'ID="{self.id}" since duplicate filters are not '
+                       'supported in the OpenMC Python API')
+                raise ValueError(msg)
+            visited_filters.add(f)
+
+        self._filters = cv.CheckedList(_FILTER_CLASSES, 'tally filters', filters)
+
     @property
     def nuclides(self):
         return self._nuclides
 
+    @nuclides.setter
+    def nuclides(self, nuclides):
+        cv.check_type('tally nuclides', nuclides, MutableSequence)
+
+        # If the nuclide is already in the Tally, raise an error
+        visited_nuclides = set()
+        for nuc in nuclides:
+            if nuc in visited_nuclides:
+                msg = (f'Unable to add a duplicate nuclide "{nuc}" to Tally ID='
+                       f'"{self.id}" since duplicate nuclides are not supported '
+                       'in the OpenMC Python API')
+                raise ValueError(msg)
+            visited_nuclides.add(nuc)
+
+        self._nuclides = cv.CheckedList(_NUCLIDE_CLASSES, 'tally nuclides',
+                                        nuclides)
+
     @property
     def num_nuclides(self):
         return len(self._nuclides)
@@ -170,6 +213,33 @@ class Tally(IDManagerMixin):
     def scores(self):
         return self._scores
 
+    @scores.setter
+    def scores(self, scores):
+        cv.check_type('tally scores', scores, MutableSequence)
+
+        visited_scores = set()
+        for i, score in enumerate(scores):
+            # If the score is already in the Tally, raise an error
+            if score in visited_scores:
+                msg = (f'Unable to add a duplicate score "{score}" to Tally '
+                       f'ID="{self.id}" since duplicate scores are not '
+                       'supported in the OpenMC Python API')
+                raise ValueError(msg)
+            visited_scores.add(score)
+
+            # If score is a string, strip whitespace
+            if isinstance(score, str):
+                # Check to see if scores are deprecated before storing
+                for deprecated in ['scatter-', 'nu-scatter-', 'scatter-p',
+                                   'nu-scatter-p', 'scatter-y', 'nu-scatter-y',
+                                    'flux-y', 'total-y']:
+                    if score.strip().startswith(deprecated):
+                        msg = score.strip() + ' is no longer supported.'
+                        raise ValueError(msg)
+                scores[i] = score.strip()
+
+        self._scores = cv.CheckedList(_SCORE_CLASSES, 'tally scores', scores)
+
     @property
     def num_scores(self):
         return len(self._scores)
@@ -194,18 +264,40 @@ class Tally(IDManagerMixin):
     def estimator(self):
         return self._estimator
 
+    @estimator.setter
+    def estimator(self, estimator):
+        cv.check_value('estimator', estimator, ESTIMATOR_TYPES)
+        self._estimator = estimator
+
     @property
     def triggers(self):
         return self._triggers
 
+    @triggers.setter
+    def triggers(self, triggers):
+        cv.check_type('tally triggers', triggers, MutableSequence)
+        self._triggers = cv.CheckedList(openmc.Trigger, 'tally triggers',
+                                        triggers)
+
     @property
     def num_realizations(self):
         return self._num_realizations
 
+    @num_realizations.setter
+    def num_realizations(self, num_realizations):
+        cv.check_type('number of realizations', num_realizations, Integral)
+        cv.check_greater_than('number of realizations', num_realizations, 0, True)
+        self._num_realizations = num_realizations
+
     @property
     def with_summary(self):
         return self._with_summary
 
+    @with_summary.setter
+    def with_summary(self, with_summary):
+        cv.check_type('with_summary', with_summary, bool)
+        self._with_summary = with_summary
+
     def _read_results(self):
         if self._results_read:
             return
@@ -246,6 +338,11 @@ class Tally(IDManagerMixin):
         else:
             return self._sum
 
+    @sum.setter
+    def sum(self, sum):
+        cv.check_type('sum', sum, Iterable)
+        self._sum = sum
+
     @property
     def sum_sq(self):
         if not self._sp_filename or self.derived:
@@ -259,6 +356,11 @@ class Tally(IDManagerMixin):
         else:
             return self._sum_sq
 
+    @sum_sq.setter
+    def sum_sq(self, sum_sq):
+        cv.check_type('sum_sq', sum_sq, Iterable)
+        self._sum_sq = sum_sq
+
     @property
     def mean(self):
         if self._mean is None:
@@ -305,6 +407,11 @@ class Tally(IDManagerMixin):
     def with_batch_statistics(self):
         return self._with_batch_statistics
 
+    @with_batch_statistics.setter
+    def with_batch_statistics(self, with_batch_statistics):
+        cv.check_type('with_batch_statistics', with_batch_statistics, bool)
+        self._with_batch_statistics = with_batch_statistics
+
     @property
     def derived(self):
         return self._derived
@@ -313,122 +420,15 @@ class Tally(IDManagerMixin):
     def derivative(self):
         return self._derivative
 
-    @property
-    def sparse(self):
-        return self._sparse
-
-    @estimator.setter
-    def estimator(self, estimator):
-        cv.check_value('estimator', estimator, ESTIMATOR_TYPES)
-        self._estimator = estimator
-
-    @triggers.setter
-    def triggers(self, triggers):
-        cv.check_type('tally triggers', triggers, MutableSequence)
-        self._triggers = cv.CheckedList(openmc.Trigger, 'tally triggers',
-                                        triggers)
-
-    @name.setter
-    def name(self, name):
-        cv.check_type('tally name', name, str, none_ok=True)
-        self._name = name
-
-    @multiply_density.setter
-    def multiply_density(self, value):
-        cv.check_type('multiply density', value, bool)
-        self._multiply_density = value
-
     @derivative.setter
     def derivative(self, deriv):
         cv.check_type('tally derivative', deriv, openmc.TallyDerivative,
                       none_ok=True)
         self._derivative = deriv
 
-    @filters.setter
-    def filters(self, filters):
-        cv.check_type('tally filters', filters, MutableSequence)
-
-        # If the filter is already in the Tally, raise an error
-        visited_filters = set()
-        for f in filters:
-            if f in visited_filters:
-                msg = (f'Unable to add a duplicate filter "{f}" to Tally '
-                       f'ID="{self.id}" since duplicate filters are not '
-                       'supported in the OpenMC Python API')
-                raise ValueError(msg)
-            visited_filters.add(f)
-
-        self._filters = cv.CheckedList(_FILTER_CLASSES, 'tally filters', filters)
-
-    @nuclides.setter
-    def nuclides(self, nuclides):
-        cv.check_type('tally nuclides', nuclides, MutableSequence)
-
-        # If the nuclide is already in the Tally, raise an error
-        visited_nuclides = set()
-        for nuc in nuclides:
-            if nuc in visited_nuclides:
-                msg = (f'Unable to add a duplicate nuclide "{nuc}" to Tally ID='
-                       f'"{self.id}" since duplicate nuclides are not supported '
-                       'in the OpenMC Python API')
-                raise ValueError(msg)
-            visited_nuclides.add(nuc)
-
-        self._nuclides = cv.CheckedList(_NUCLIDE_CLASSES, 'tally nuclides',
-                                        nuclides)
-
-    @scores.setter
-    def scores(self, scores):
-        cv.check_type('tally scores', scores, MutableSequence)
-
-        visited_scores = set()
-        for i, score in enumerate(scores):
-            # If the score is already in the Tally, raise an error
-            if score in visited_scores:
-                msg = (f'Unable to add a duplicate score "{score}" to Tally '
-                       f'ID="{self.id}" since duplicate scores are not '
-                       'supported in the OpenMC Python API')
-                raise ValueError(msg)
-            visited_scores.add(score)
-
-            # If score is a string, strip whitespace
-            if isinstance(score, str):
-                # Check to see if scores are deprecated before storing
-                for deprecated in ['scatter-', 'nu-scatter-', 'scatter-p',
-                                   'nu-scatter-p', 'scatter-y', 'nu-scatter-y',
-                                    'flux-y', 'total-y']:
-                    if score.strip().startswith(deprecated):
-                        msg = score.strip() + ' is no longer supported.'
-                        raise ValueError(msg)
-                scores[i] = score.strip()
-
-        self._scores = cv.CheckedList(_SCORE_CLASSES, 'tally scores', scores)
-
-    @num_realizations.setter
-    def num_realizations(self, num_realizations):
-        cv.check_type('number of realizations', num_realizations, Integral)
-        cv.check_greater_than('number of realizations', num_realizations, 0, True)
-        self._num_realizations = num_realizations
-
-    @with_summary.setter
-    def with_summary(self, with_summary):
-        cv.check_type('with_summary', with_summary, bool)
-        self._with_summary = with_summary
-
-    @with_batch_statistics.setter
-    def with_batch_statistics(self, with_batch_statistics):
-        cv.check_type('with_batch_statistics', with_batch_statistics, bool)
-        self._with_batch_statistics = with_batch_statistics
-
-    @sum.setter
-    def sum(self, sum):
-        cv.check_type('sum', sum, Iterable)
-        self._sum = sum
-
-    @sum_sq.setter
-    def sum_sq(self, sum_sq):
-        cv.check_type('sum_sq', sum_sq, Iterable)
-        self._sum_sq = sum_sq
+    @property
+    def sparse(self):
+        return self._sparse
 
     @sparse.setter
     def sparse(self, sparse):
diff --git a/openmc/tally_derivative.py b/openmc/tally_derivative.py
index d8e165e8b..779ca619f 100644
--- a/openmc/tally_derivative.py
+++ b/openmc/tally_derivative.py
@@ -60,14 +60,6 @@ class TallyDerivative(EqualityMixin, IDManagerMixin):
     def variable(self):
         return self._variable
 
-    @property
-    def material(self):
-        return self._material
-
-    @property
-    def nuclide(self):
-        return self._nuclide
-
     @variable.setter
     def variable(self, var):
         if var is not None:
@@ -76,12 +68,20 @@ class TallyDerivative(EqualityMixin, IDManagerMixin):
                            ('density', 'nuclide_density', 'temperature'))
         self._variable = var
 
+    @property
+    def material(self):
+        return self._material
+
     @material.setter
     def material(self, mat):
         if mat is not None:
             cv.check_type('derivative material', mat, Integral)
         self._material = mat
 
+    @property
+    def nuclide(self):
+        return self._nuclide
+
     @nuclide.setter
     def nuclide(self, nuc):
         if nuc is not None:
diff --git a/openmc/trigger.py b/openmc/trigger.py
index 3f7d8d7d0..86d17dfef 100644
--- a/openmc/trigger.py
+++ b/openmc/trigger.py
@@ -45,25 +45,25 @@ class Trigger(EqualityMixin):
     def trigger_type(self):
         return self._trigger_type
 
-    @property
-    def threshold(self):
-        return self._threshold
-
-    @property
-    def scores(self):
-        return self._scores
-
     @trigger_type.setter
     def trigger_type(self, trigger_type):
         cv.check_value('tally trigger type', trigger_type,
                        ['variance', 'std_dev', 'rel_err'])
         self._trigger_type = trigger_type
 
+    @property
+    def threshold(self):
+        return self._threshold
+
     @threshold.setter
     def threshold(self, threshold):
         cv.check_type('tally trigger threshold', threshold, Real)
         self._threshold = threshold
 
+    @property
+    def scores(self):
+        return self._scores
+
     @scores.setter
     def scores(self, scores):
         cv.check_type('trigger scores', scores, Iterable, str)
diff --git a/openmc/universe.py b/openmc/universe.py
index 458729d5c..6acecf800 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -58,10 +58,6 @@ class UniverseBase(ABC, IDManagerMixin):
     def name(self):
         return self._name
 
-    @property
-    def volume(self):
-        return self._volume
-
     @name.setter
     def name(self, name):
         if name is not None:
@@ -70,6 +66,10 @@ class UniverseBase(ABC, IDManagerMixin):
         else:
             self._name = ''
 
+    @property
+    def volume(self):
+        return self._volume
+
     @volume.setter
     def volume(self, volume):
         if volume is not None:
@@ -854,6 +854,11 @@ class DAGMCUniverse(UniverseBase):
     def auto_mat_ids(self):
         return self._auto_mat_ids
 
+    @auto_mat_ids.setter
+    def auto_mat_ids(self, val):
+        cv.check_type('DAGMC automatic material ids', val, bool)
+        self._auto_mat_ids = val
+
     @property
     def material_names(self):
         dagmc_file_contents = h5py.File(self.filename)
@@ -870,11 +875,6 @@ class DAGMCUniverse(UniverseBase):
 
         return sorted(set(material_tags_ascii))
 
-    @auto_mat_ids.setter
-    def auto_mat_ids(self, val):
-        cv.check_type('DAGMC automatic material ids', val, bool)
-        self._auto_mat_ids = val
-
     def get_all_cells(self, memo=None):
         return OrderedDict()
 
diff --git a/openmc/volume.py b/openmc/volume.py
index 363b108c9..72fe89fbc 100644
--- a/openmc/volume.py
+++ b/openmc/volume.py
@@ -126,30 +126,75 @@ class VolumeCalculation:
     def ids(self):
         return self._ids
 
+    @ids.setter
+    def ids(self, ids):
+        cv.check_type('domain IDs', ids, Iterable, Real)
+        self._ids = ids
+
     @property
     def samples(self):
         return self._samples
 
+    @samples.setter
+    def samples(self, samples):
+        cv.check_type('number of samples', samples, Integral)
+        cv.check_greater_than('number of samples', samples, 0)
+        self._samples = samples
+
     @property
     def lower_left(self):
         return self._lower_left
 
+    @lower_left.setter
+    def lower_left(self, lower_left):
+        name = 'lower-left bounding box coordinates',
+        cv.check_type(name, lower_left, Iterable, Real)
+        cv.check_length(name, lower_left, 3)
+        self._lower_left = lower_left
+
     @property
     def upper_right(self):
         return self._upper_right
 
+    @upper_right.setter
+    def upper_right(self, upper_right):
+        name = 'upper-right bounding box coordinates'
+        cv.check_type(name, upper_right, Iterable, Real)
+        cv.check_length(name, upper_right, 3)
+        self._upper_right = upper_right
+
     @property
     def threshold(self):
         return self._threshold
 
+    @threshold.setter
+    def threshold(self, threshold):
+        name = 'volume std. dev. threshold'
+        cv.check_type(name, threshold, Real)
+        cv.check_greater_than(name, threshold, 0.0)
+        self._threshold = threshold
+
     @property
     def trigger_type(self):
         return self._trigger_type
 
+    @trigger_type.setter
+    def trigger_type(self, trigger_type):
+        cv.check_value('tally trigger type', trigger_type,
+                       ('variance', 'std_dev', 'rel_err'))
+        self._trigger_type = trigger_type
+
     @property
     def iterations(self):
         return self._iterations
 
+    @iterations.setter
+    def iterations(self, iterations):
+        name = 'volume calculation iterations'
+        cv.check_type(name, iterations, Integral)
+        cv.check_greater_than(name, iterations, 0)
+        self._iterations = iterations
+
     @property
     def domain_type(self):
         return self._domain_type
@@ -158,10 +203,20 @@ class VolumeCalculation:
     def atoms(self):
         return self._atoms
 
+    @atoms.setter
+    def atoms(self, atoms):
+        cv.check_type('atoms', atoms, Mapping)
+        self._atoms = atoms
+
     @property
     def volumes(self):
         return self._volumes
 
+    @volumes.setter
+    def volumes(self, volumes):
+        cv.check_type('volumes', volumes, Mapping)
+        self._volumes = volumes
+
     @property
     def atoms_dataframe(self):
         items = []
@@ -172,61 +227,6 @@ class VolumeCalculation:
 
         return pd.DataFrame.from_records(items, columns=columns)
 
-    @ids.setter
-    def ids(self, ids):
-        cv.check_type('domain IDs', ids, Iterable, Real)
-        self._ids = ids
-
-    @samples.setter
-    def samples(self, samples):
-        cv.check_type('number of samples', samples, Integral)
-        cv.check_greater_than('number of samples', samples, 0)
-        self._samples = samples
-
-    @lower_left.setter
-    def lower_left(self, lower_left):
-        name = 'lower-left bounding box coordinates',
-        cv.check_type(name, lower_left, Iterable, Real)
-        cv.check_length(name, lower_left, 3)
-        self._lower_left = lower_left
-
-    @upper_right.setter
-    def upper_right(self, upper_right):
-        name = 'upper-right bounding box coordinates'
-        cv.check_type(name, upper_right, Iterable, Real)
-        cv.check_length(name, upper_right, 3)
-        self._upper_right = upper_right
-
-    @threshold.setter
-    def threshold(self, threshold):
-        name = 'volume std. dev. threshold'
-        cv.check_type(name, threshold, Real)
-        cv.check_greater_than(name, threshold, 0.0)
-        self._threshold = threshold
-
-    @trigger_type.setter
-    def trigger_type(self, trigger_type):
-        cv.check_value('tally trigger type', trigger_type,
-                       ('variance', 'std_dev', 'rel_err'))
-        self._trigger_type = trigger_type
-
-    @iterations.setter
-    def iterations(self, iterations):
-        name = 'volume calculation iterations'
-        cv.check_type(name, iterations, Integral)
-        cv.check_greater_than(name, iterations, 0)
-        self._iterations = iterations
-
-    @volumes.setter
-    def volumes(self, volumes):
-        cv.check_type('volumes', volumes, Mapping)
-        self._volumes = volumes
-
-    @atoms.setter
-    def atoms(self, atoms):
-        cv.check_type('atoms', atoms, Mapping)
-        self._atoms = atoms
-
     def set_trigger(self, threshold, trigger_type):
         """Set a trigger on the volume calculation
 

From eda39ad9cae067f735e27a8918cffbeb299f7884 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Tue, 20 Jun 2023 21:27:55 -0500
Subject: [PATCH 1873/2654] Python source class refactor (#2524)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 docs/source/io_formats/settings.rst           |   31 +-
 examples/assembly/assembly.py                 |    2 +-
 examples/custom_source/build_xml.py           |    2 +-
 .../parameterized_custom_source/build_xml.py  |    2 +-
 include/openmc/source.h                       |   14 +-
 openmc/examples.py                            |    8 +-
 openmc/settings.py                            |   20 +-
 openmc/source.py                              |  417 +-
 src/settings.cpp                              |    2 +-
 src/source.cpp                                |   14 +-
 .../adj_cell_rotation/inputs_true.dat         |    2 +-
 .../adj_cell_rotation/test.py                 |    2 +-
 .../asymmetric_lattice/inputs_true.dat        |    2 +-
 .../asymmetric_lattice/test.py                |    2 +-
 .../create_fission_neutrons/inputs_true.dat   |    2 +-
 .../create_fission_neutrons/test.py           |    4 +-
 .../dagmc/external/inputs_true.dat            |    2 +-
 tests/regression_tests/dagmc/external/test.py |    2 +-
 .../dagmc/legacy/inputs_true.dat              |    2 +-
 tests/regression_tests/dagmc/legacy/test.py   |    2 +-
 .../dagmc/refl/inputs_true.dat                |    2 +-
 tests/regression_tests/dagmc/refl/test.py     |    4 +-
 .../dagmc/uwuw/inputs_true.dat                |    2 +-
 tests/regression_tests/dagmc/uwuw/test.py     |    4 +-
 .../deplete_with_transport/test.py            |    2 +-
 .../diff_tally/inputs_true.dat                |    2 +-
 tests/regression_tests/diff_tally/test.py     |    2 +-
 .../distribmat/inputs_true.dat                |    2 +-
 tests/regression_tests/distribmat/test.py     |    2 +-
 .../eigenvalue_genperbatch/inputs_true.dat    |    2 +-
 .../eigenvalue_genperbatch/test.py            |    2 +-
 .../energy_cutoff/inputs_true.dat             |    2 +-
 tests/regression_tests/energy_cutoff/test.py  |    4 +-
 .../external_moab/inputs_true.dat             |    2 +-
 tests/regression_tests/external_moab/test.py  |    2 +-
 .../filter_cellinstance/inputs_true.dat       |    2 +-
 .../filter_cellinstance/test.py               |    2 +-
 .../fixed_source/inputs_true.dat              |    2 +-
 tests/regression_tests/fixed_source/test.py   |    4 +-
 .../iso_in_lab/inputs_true.dat                |    2 +-
 .../lattice_hex_coincident/inputs_true.dat    |    2 +-
 .../lattice_hex_coincident/test.py            |    2 +-
 .../lattice_hex_x/inputs_true.dat             |    2 +-
 tests/regression_tests/lattice_hex_x/test.py  |    2 +-
 .../lattice_rotated/inputs_true.dat           |    2 +-
 .../regression_tests/lattice_rotated/test.py  |    2 +-
 .../regression_tests/mg_basic/inputs_true.dat |    2 +-
 .../mg_basic_delayed/inputs_true.dat          |    2 +-
 .../mg_convert/inputs_true.dat                |    2 +-
 tests/regression_tests/mg_convert/test.py     |    2 +-
 .../mg_legendre/inputs_true.dat               |    2 +-
 .../mg_max_order/inputs_true.dat              |    2 +-
 .../mg_survival_biasing/inputs_true.dat       |    2 +-
 .../mg_tallies/inputs_true.dat                |    2 +-
 .../mg_temperature/build_2g.py                |    2 +-
 .../mgxs_library_ce_to_mg/inputs_true.dat     |    2 +-
 .../inputs_true.dat                           |    2 +-
 .../mgxs_library_condense/inputs_true.dat     |    2 +-
 .../mgxs_library_correction/inputs_true.dat   |    2 +-
 .../mgxs_library_distribcell/inputs_true.dat  |    2 +-
 .../mgxs_library_hdf5/inputs_true.dat         |    2 +-
 .../mgxs_library_histogram/inputs_true.dat    |    2 +-
 .../mgxs_library_no_nuclides/inputs_true.dat  |    2 +-
 .../mgxs_library_nuclides/inputs_true.dat     |    2 +-
 .../inputs_true.dat                           |    2 +-
 .../adj_cell_rotation_inputs_true.dat         |    2 +-
 .../photon_production_inputs_true.dat         |    2 +-
 .../multipole/inputs_true.dat                 |    2 +-
 tests/regression_tests/multipole/test.py      |    2 +-
 .../regression_tests/ncrystal/inputs_true.dat |    2 +-
 tests/regression_tests/ncrystal/test.py       |    2 +-
 .../regression_tests/periodic/inputs_true.dat |    2 +-
 tests/regression_tests/periodic/test.py       |    2 +-
 .../periodic_6fold/inputs_true.dat            |    2 +-
 tests/regression_tests/periodic_6fold/test.py |    2 +-
 .../photon_production/inputs_true.dat         |    2 +-
 .../photon_production/test.py                 |    2 +-
 .../photon_production_fission/inputs_true.dat |    2 +-
 .../photon_production_fission/test.py         |    2 +-
 .../photon_source/inputs_true.dat             |    2 +-
 tests/regression_tests/photon_source/test.py  |    2 +-
 .../resonance_scattering/inputs_true.dat      |    2 +-
 .../resonance_scattering/test.py              |    2 +-
 .../salphabeta/inputs_true.dat                |    2 +-
 tests/regression_tests/salphabeta/test.py     |    2 +-
 tests/regression_tests/source/inputs_true.dat |   16 +-
 tests/regression_tests/source/test.py         |   16 +-
 .../source_dlopen/inputs_true.dat             |   16 +-
 .../source_dlopen/results_true.dat            |    5 +
 .../source_dlopen/source_sampling.cpp         |   14 +-
 tests/regression_tests/source_dlopen/test.py  |   12 +-
 .../inputs_true.dat                           |   16 +-
 .../results_true.dat                          |    5 +
 .../source_parameterized_dlopen/test.py       |   11 +-
 .../surface_source/inputs_true_write.dat      |    2 +-
 tests/regression_tests/surface_source/test.py |    2 +-
 .../surface_tally/inputs_true.dat             |    2 +-
 tests/regression_tests/surface_tally/test.py  |    2 +-
 .../regression_tests/tallies/inputs_true.dat  |    2 +-
 tests/regression_tests/tallies/test.py        |    2 +-
 .../tally_slice_merge/inputs_true.dat         |    2 +-
 .../torus/large_major/inputs_true.dat         |    2 +-
 .../torus/large_major/test.py                 |    2 +-
 tests/regression_tests/triso/inputs_true.dat  |    2 +-
 tests/regression_tests/triso/test.py          |    2 +-
 .../unstructured_mesh/inputs_true.dat         |    2 +-
 .../unstructured_mesh/inputs_true0.dat        |    2 +-
 .../unstructured_mesh/inputs_true1.dat        |    2 +-
 .../unstructured_mesh/inputs_true10.dat       |    2 +-
 .../unstructured_mesh/inputs_true11.dat       |    2 +-
 .../unstructured_mesh/inputs_true12.dat       |    2 +-
 .../unstructured_mesh/inputs_true13.dat       |    2 +-
 .../unstructured_mesh/inputs_true14.dat       |    2 +-
 .../unstructured_mesh/inputs_true15.dat       |    2 +-
 .../unstructured_mesh/inputs_true2.dat        |    2 +-
 .../unstructured_mesh/inputs_true3.dat        |    2 +-
 .../unstructured_mesh/inputs_true8.dat        |    2 +-
 .../unstructured_mesh/inputs_true9.dat        |    2 +-
 .../unstructured_mesh/results_true.dat        | 4002 -----------------
 .../unstructured_mesh/test.py                 |   14 +-
 tests/regression_tests/void/inputs_true.dat   |    2 +-
 tests/regression_tests/void/test.py           |    2 +-
 .../weightwindows/inputs_true.dat             |    2 +-
 tests/regression_tests/weightwindows/test.py  |    2 +-
 tests/unit_tests/conftest.py                  |    2 +-
 tests/unit_tests/dagmc/test.py                |    2 +-
 tests/unit_tests/mesh_to_vtk/test_vtk_dims.py |    2 +-
 tests/unit_tests/test_complex_cell_bb.py      |    2 +-
 tests/unit_tests/test_cylindrical_mesh.py     |    6 +-
 tests/unit_tests/test_data_thermal.py         |    2 +-
 tests/unit_tests/test_deplete_activation.py   |    2 +-
 tests/unit_tests/test_energy_cutoff.py        |    2 +-
 tests/unit_tests/test_filters.py              |    2 +-
 tests/unit_tests/test_geometry.py             |    2 +-
 tests/unit_tests/test_lib.py                  |    4 +-
 tests/unit_tests/test_model.py                |    2 +-
 tests/unit_tests/test_settings.py             |    4 +-
 tests/unit_tests/test_source.py               |   39 +-
 tests/unit_tests/test_source_file.py          |    4 +-
 tests/unit_tests/test_source_mesh.py          |    6 +-
 tests/unit_tests/test_spherical_mesh.py       |    6 +-
 tests/unit_tests/test_time_filter.py          |    6 +-
 tests/unit_tests/test_torus.py                |    2 +-
 tests/unit_tests/test_tracks.py               |    2 +-
 tests/unit_tests/test_urr_capture.py          |    2 +-
 tests/unit_tests/weightwindows/test.py        |    2 +-
 146 files changed, 648 insertions(+), 4310 deletions(-)
 delete mode 100644 tests/regression_tests/unstructured_mesh/results_true.dat

diff --git a/docs/source/io_formats/settings.rst b/docs/source/io_formats/settings.rst
index 2a85ebc8a..1016fbaa3 100644
--- a/docs/source/io_formats/settings.rst
+++ b/docs/source/io_formats/settings.rst
@@ -449,24 +449,27 @@ attributes/sub-elements:
 
     *Default*: 1.0
 
+  :type:
+    Indicator of source type. One of ``independent``, ``file``, or ``compiled``.
+
   :particle:
     The source particle type, either ``neutron`` or ``photon``.
 
     *Default*: neutron
 
   :file:
-    If this attribute is given, it indicates that the source is to be read from
-    a binary source file whose path is given by the value of this element. Note,
-    the number of source sites needs to be the same as the number of particles
-    simulated in a fission source generation.
+    If this attribute is given, it indicates that the source type is ``file``,
+    meaning particles are to be read from a binary source file whose path is
+    given by the value of this element.
 
     *Default*: None
 
   :library:
-    If this attribute is given, it indicates that the source is to be
-    instantiated from an externally compiled source function. This source can be
-    as complex as is required to define the source for your problem. The library
-    has a few basic requirements:
+    If this attribute is given, it indicates that the source type is
+    ``compiled``, meaning that particles are instantiated from an externally
+    compiled source function. This source can be completely customized as needed
+    to define the source for your problem. The library has a few basic
+    requirements:
 
     * It must contain a class that inherits from ``openmc::Source``;
     * The class must implement a function called ``sample()``;
@@ -476,14 +479,12 @@ attributes/sub-elements:
 
     More documentation on how to build sources can be found in :ref:`custom_source`.
 
-    *Default*: None
-
   :parameters:
-    If this attribute is given, it provides the parameters to pass through to the
-    class generated using the ``library`` parameter . More documentation on how to
-    build parametrized sources can be found in :ref:`parameterized_custom_source`.
-
-    *Default*: None
+    If this attribute is given, it indicated that the source type is
+    ``compiled``. Its value provides the parameters to pass through to the class
+    generated using the ``library`` parameter. More documentation on how to
+    build parametrized sources can be found in
+    :ref:`parameterized_custom_source`.
 
   :space:
     An element specifying the spatial distribution of source sites. This element
diff --git a/examples/assembly/assembly.py b/examples/assembly/assembly.py
index ec1bb7e9f..1355374f1 100644
--- a/examples/assembly/assembly.py
+++ b/examples/assembly/assembly.py
@@ -112,7 +112,7 @@ def assembly_model():
     model.settings.batches = 150
     model.settings.inactive = 50
     model.settings.particles = 1000
-    model.settings.source = openmc.Source(space=openmc.stats.Box(
+    model.settings.source = openmc.IndependentSource(space=openmc.stats.Box(
         (-pitch/2, -pitch/2, -1),
         (pitch/2, pitch/2, 1),
         only_fissionable=True
diff --git a/examples/custom_source/build_xml.py b/examples/custom_source/build_xml.py
index a0817d422..e9a9a0656 100644
--- a/examples/custom_source/build_xml.py
+++ b/examples/custom_source/build_xml.py
@@ -18,7 +18,7 @@ settings = openmc.Settings()
 settings.run_mode = 'fixed source'
 settings.batches = 10
 settings.particles = 1000
-source = openmc.Source()
+source = openmc.IndependentSource()
 source.library = 'build/libsource.so'
 settings.source = source
 settings.export_to_xml()
diff --git a/examples/parameterized_custom_source/build_xml.py b/examples/parameterized_custom_source/build_xml.py
index 5edb204df..3c67e244d 100644
--- a/examples/parameterized_custom_source/build_xml.py
+++ b/examples/parameterized_custom_source/build_xml.py
@@ -18,7 +18,7 @@ settings = openmc.Settings()
 settings.run_mode = 'fixed source'
 settings.batches = 10
 settings.particles = 1000
-source = openmc.Source()
+source = openmc.IndependentSource()
 source.library = 'build/libparameterized_source.so'
 source.parameters = 'radius=3.0, energy=14.08e6'
 settings.source = source
diff --git a/include/openmc/source.h b/include/openmc/source.h
index 96d659dcb..ad2aae562 100644
--- a/include/openmc/source.h
+++ b/include/openmc/source.h
@@ -115,26 +115,26 @@ private:
 //! Wrapper for custom sources that manages opening/closing shared library
 //==============================================================================
 
-class CustomSourceWrapper : public Source {
+class CompiledSourceWrapper : public Source {
 public:
   // Constructors, destructors
-  CustomSourceWrapper(std::string path, std::string parameters);
-  ~CustomSourceWrapper();
+  CompiledSourceWrapper(std::string path, std::string parameters);
+  ~CompiledSourceWrapper();
 
   // Defer implementation to custom source library
   SourceSite sample(uint64_t* seed) const override
   {
-    return custom_source_->sample(seed);
+    return compiled_source_->sample(seed);
   }
 
-  double strength() const override { return custom_source_->strength(); }
+  double strength() const override { return compiled_source_->strength(); }
 
 private:
   void* shared_library_; //!< library from dlopen
-  unique_ptr<Source> custom_source_;
+  unique_ptr<Source> compiled_source_;
 };
 
-typedef unique_ptr<Source> create_custom_source_t(std::string parameters);
+typedef unique_ptr<Source> create_compiled_source_t(std::string parameters);
 
 //==============================================================================
 // Functions
diff --git a/openmc/examples.py b/openmc/examples.py
index 3b73d043f..cef86a47a 100644
--- a/openmc/examples.py
+++ b/openmc/examples.py
@@ -76,7 +76,7 @@ def pwr_pin_cell():
     model.settings.batches = 10
     model.settings.inactive = 5
     model.settings.particles = 100
-    model.settings.source = openmc.Source(space=openmc.stats.Box(
+    model.settings.source = openmc.IndependentSource(space=openmc.stats.Box(
         [-pitch/2, -pitch/2, -1], [pitch/2, pitch/2, 1], only_fissionable=True))
 
     plot = openmc.Plot.from_geometry(model.geometry)
@@ -415,7 +415,7 @@ def pwr_core():
     model.settings.batches = 10
     model.settings.inactive = 5
     model.settings.particles = 100
-    model.settings.source = openmc.Source(space=openmc.stats.Box(
+    model.settings.source = openmc.IndependentSource(space=openmc.stats.Box(
         [-160, -160, -183], [160, 160, 183]))
 
     plot = openmc.Plot()
@@ -527,7 +527,7 @@ def pwr_assembly():
     model.settings.batches = 10
     model.settings.inactive = 5
     model.settings.particles = 100
-    model.settings.source = openmc.Source(space=openmc.stats.Box(
+    model.settings.source = openmc.IndependentSource(space=openmc.stats.Box(
         [-pitch/2, -pitch/2, -1], [pitch/2, pitch/2, 1], only_fissionable=True))
 
     plot = openmc.Plot()
@@ -629,7 +629,7 @@ def slab_mg(num_regions=1, mat_names=None, mgxslib_name='2g.h5'):
     INF = 1000.
     bounds = [0., -INF, -INF, rads[0], INF, INF]
     uniform_dist = openmc.stats.Box(bounds[:3], bounds[3:])
-    settings_file.source = openmc.source.Source(space=uniform_dist)
+    settings_file.source = openmc.IndependentSource(space=uniform_dist)
 
     settings_file.output = {'summary': False}
 
diff --git a/openmc/settings.py b/openmc/settings.py
index fbbb0c719..7937cd2e7 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -13,8 +13,8 @@ import lxml.etree as ET
 import openmc.checkvalue as cv
 from openmc.stats.multivariate import MeshSpatial
 
-from . import (RegularMesh, Source, VolumeCalculation, WeightWindows,
-               WeightWindowGenerator)
+from . import (RegularMesh, SourceBase, IndependentSource,
+               VolumeCalculation, WeightWindows, WeightWindowGenerator)
 from ._xml import clean_indentation, get_text, reorder_attributes
 from openmc.checkvalue import PathLike
 from .mesh import _read_meshes
@@ -150,7 +150,7 @@ class Settings:
         The type of calculation to perform (default is 'eigenvalue')
     seed : int
         Seed for the linear congruential pseudorandom number generator
-    source : Iterable of openmc.Source
+    source : Iterable of openmc.SourceBase
         Distribution of source sites in space, angle, and energy
     sourcepoint : dict
         Options for writing source points. Acceptable keys are:
@@ -265,7 +265,7 @@ class Settings:
         self._max_order = None
 
         # Source subelement
-        self._source = cv.CheckedList(Source, 'source distributions')
+        self._source = cv.CheckedList(SourceBase, 'source distributions')
 
         self._confidence_intervals = None
         self._electron_treatment = None
@@ -459,14 +459,14 @@ class Settings:
         self._max_order = max_order
 
     @property
-    def source(self) -> typing.List[Source]:
+    def source(self) -> typing.List[SourceBase]:
         return self._source
 
     @source.setter
-    def source(self, source: typing.Union[Source, typing.Iterable[Source]]):
+    def source(self, source: typing.Union[SourceBase, typing.Iterable[SourceBase]]):
         if not isinstance(source, MutableSequence):
             source = [source]
-        self._source = cv.CheckedList(Source, 'source distributions', source)
+        self._source = cv.CheckedList(SourceBase, 'source distributions', source)
 
     @property
     def confidence_intervals(self) -> bool:
@@ -969,7 +969,7 @@ class Settings:
         if not isinstance(wwgs, MutableSequence):
             wwgs = [wwgs]
         self._weight_window_generators = cv.CheckedList(WeightWindowGenerator, 'weight window generators', wwgs)
-        
+
     def _create_run_mode_subelement(self, root):
         elem = ET.SubElement(root, "run_mode")
         elem.text = self._run_mode.value
@@ -1024,7 +1024,7 @@ class Settings:
     def _create_source_subelement(self, root):
         for source in self.source:
             root.append(source.to_xml_element())
-            if isinstance(source.space, MeshSpatial):
+            if isinstance(source, IndependentSource) and isinstance(source.space, MeshSpatial):
                 path = f"./mesh[@id='{source.space.mesh.id}']"
                 if root.find(path) is None:
                     root.append(source.space.mesh.to_xml_element())
@@ -1402,7 +1402,7 @@ class Settings:
 
     def _source_from_xml_element(self, root, meshes=None):
         for elem in root.findall('source'):
-            src = Source.from_xml_element(elem, meshes)
+            src = SourceBase.from_xml_element(elem, meshes)
             # add newly constructed source object to the list
             self.source.append(src)
 
diff --git a/openmc/source.py b/openmc/source.py
index 150830cc8..0e17938a8 100644
--- a/openmc/source.py
+++ b/openmc/source.py
@@ -1,3 +1,5 @@
+from __future__ import annotations
+from abc import ABC, abstractmethod
 from collections.abc import Iterable
 from enum import IntEnum
 from numbers import Real
@@ -16,9 +18,107 @@ from openmc.checkvalue import PathLike
 from openmc.stats.multivariate import UnitSphere, Spatial
 from openmc.stats.univariate import Univariate
 from ._xml import get_text
+from .mesh import MeshBase
 
 
-class Source:
+class SourceBase(ABC):
+    """Base class for external sources
+
+    Parameters
+    ----------
+    strength : float
+        Strength of the source
+
+    Attributes
+    ----------
+    type : {'independent', 'file', 'compiled'}
+        Indicator of source type.
+    strength : float
+        Strength of the source
+
+    """
+
+    def __init__(self, strength=1.0):
+        self.strength = strength
+
+    @property
+    def strength(self):
+        return self._strength
+
+    @strength.setter
+    def strength(self, strength):
+        cv.check_type('source strength', strength, Real)
+        cv.check_greater_than('source strength', strength, 0.0, True)
+        self._strength = strength
+
+    @abstractmethod
+    def populate_xml_element(self, element):
+        """Add necessary source information to an XML element
+
+        Returns
+        -------
+        element : lxml.etree._Element
+            XML element containing source data
+
+        """
+        pass
+
+    def to_xml_element(self) -> ET.Element:
+        """Return XML representation of the source
+
+        Returns
+        -------
+        element : xml.etree.ElementTree.Element
+            XML element containing source data
+
+        """
+        element = ET.Element("source")
+        element.set("type", self.type)
+        element.set("strength", str(self.strength))
+        self.populate_xml_element(element)
+        return element
+
+    @classmethod
+    def from_xml_element(cls, elem: ET.Element, meshes=None) -> openmc.SourceBase:
+        """Generate source from an XML element
+
+        Parameters
+        ----------
+        elem : lxml.etree._Element
+            XML element
+        meshes : dict
+            Dictionary with mesh IDs as keys and openmc.MeshBase instances as
+            values
+
+        Returns
+        -------
+        openmc.SourceBase
+            Source generated from XML element
+
+        """
+        source_type = get_text(elem, 'type')
+
+        if source_type is None:
+            # attempt to determine source type based on attributes
+            # for backward compatibility
+            if get_text(elem, 'file') is not None:
+                return FileSource.from_xml_element(elem)
+            elif get_text(elem, 'library') is not None:
+                return CompiledSource.from_xml_element(elem)
+            else:
+                return IndependentSource.from_xml_element(elem)
+        else:
+            if source_type == 'independent':
+                return IndependentSource.from_xml_element(elem, meshes)
+            elif source_type == 'compiled':
+                return CompiledSource.from_xml_element(elem)
+            elif source_type == 'file':
+                return FileSource.from_xml_element(elem)
+            else:
+                raise ValueError(f'Source type {source_type} is not recognized')
+
+
+class IndependentSource(SourceBase):
     """Distribution of phase space coordinates for source sites.
 
     Parameters
@@ -31,14 +131,6 @@ class Source:
         Energy distribution of source sites
     time : openmc.stats.Univariate
         time distribution of source sites
-    filename : str
-        Source file from which sites should be sampled
-    library : str
-        Path to a custom source library
-    parameters : str
-        Parameters to be provided to the custom source library
-
-        .. versionadded:: 0.12
     strength : float
         Strength of the source
     particle : {'neutron', 'photon'}
@@ -57,14 +149,13 @@ class Source:
         Energy distribution of source sites
     time : openmc.stats.Univariate or None
         time distribution of source sites
-    file : str or None
-        Source file from which sites should be sampled
-    library : str or None
-        Path to a custom source library
-    parameters : str
-        Parameters to be provided to the custom source library
     strength : float
         Strength of the source
+    type : str
+        Indicator of source type: 'independent'
+
+    .. versionadded:: 0.13.4
+
     particle : {'neutron', 'photon'}
         Source particle type
     ids : Iterable of int
@@ -80,20 +171,16 @@ class Source:
         angle: Optional[openmc.stats.UnitSphere] = None,
         energy: Optional[openmc.stats.Univariate] = None,
         time: Optional[openmc.stats.Univariate] = None,
-        filename: Optional[str] = None,
-        library: Optional[str] = None,
-        parameters: Optional[str] = None,
         strength: float = 1.0,
         particle: str = 'neutron',
         domains: Optional[Sequence[typing.Union[openmc.Cell, openmc.Material, openmc.Universe]]] = None
     ):
+        super().__init__(strength)
+
         self._space = None
         self._angle = None
         self._energy = None
         self._time = None
-        self._file = None
-        self._library = None
-        self._parameters = None
 
         if space is not None:
             self.space = space
@@ -103,12 +190,6 @@ class Source:
             self.energy = energy
         if time is not None:
             self.time = time
-        if filename is not None:
-            self.file = filename
-        if library is not None:
-            self.library = library
-        if parameters is not None:
-            self.parameters = parameters
         self.strength = strength
         self.particle = particle
 
@@ -124,31 +205,25 @@ class Source:
             self.domain_ids = [d.id for d in domains]
 
     @property
-    def file(self):
-        return self._file
+    def type(self) -> str:
+        return 'independent'
 
-    @file.setter
-    def file(self, filename):
-        cv.check_type('source file', filename, str)
-        self._file = filename
+    def __getattr__(self, name):
+        cls_names = {'file': 'FileSource', 'library': 'CompiledSource',
+                     'parameters': 'CompiledSource'}
+        if name in cls_names:
+            raise AttributeError(
+                f'The "{name}" attribute has been deprecated on the '
+                f'IndependentSource class. Please use the {cls_names[name]} class.')
+        else:
+            super().__getattribute__(name)
 
-    @property
-    def library(self):
-        return self._library
-
-    @library.setter
-    def library(self, library_name):
-        cv.check_type('library', library_name, str)
-        self._library = library_name
-
-    @property
-    def parameters(self):
-        return self._parameters
-
-    @parameters.setter
-    def parameters(self, parameters_path):
-        cv.check_type('parameters', parameters_path, str)
-        self._parameters = parameters_path
+    def __setattr__(self, name, value):
+        if name in ('file', 'library', 'parameters'):
+            # Ensure proper AttributeError is thrown
+            getattr(self, name)
+        else:
+            super().__setattr__(name, value)
 
     @property
     def space(self):
@@ -186,16 +261,6 @@ class Source:
         cv.check_type('time distribution', time, Univariate)
         self._time = time
 
-    @property
-    def strength(self):
-        return self._strength
-
-    @strength.setter
-    def strength(self, strength):
-        cv.check_type('source strength', strength, Real)
-        cv.check_greater_than('source strength', strength, 0.0, True)
-        self._strength = strength
-
     @property
     def particle(self):
         return self._particle
@@ -223,25 +288,16 @@ class Source:
         cv.check_value('domain type', domain_type, ('cell', 'material', 'universe'))
         self._domain_type = domain_type
 
-    def to_xml_element(self) -> ET.Element:
-        """Return XML representation of the source
-
+    def populate_xml_element(self, element):
+        """Add necessary source information to an XML element
         Returns
         -------
         element : lxml.etree._Element
             XML element containing source data
 
         """
-        element = ET.Element("source")
-        element.set("strength", str(self.strength))
-        if self.particle != 'neutron':
-            element.set("particle", self.particle)
-        if self.file is not None:
-            element.set("file", self.file)
-        if self.library is not None:
-            element.set("library", self.library)
-        if self.parameters is not None:
-            element.set("parameters", self.parameters)
+        super().populate_xml_element(element)
+        element.set("particle", self.particle)
         if self.space is not None:
             element.append(self.space.to_xml_element())
         if self.angle is not None:
@@ -255,10 +311,9 @@ class Source:
             dt_elem.text = self.domain_type
             id_elem = ET.SubElement(element, "domain_ids")
             id_elem.text = ' '.join(str(uid) for uid in self.domain_ids)
-        return element
 
     @classmethod
-    def from_xml_element(cls, elem: ET.Element, meshes=None) -> 'openmc.Source':
+    def from_xml_element(cls, elem: ET.Element, meshes=None) -> 'openmc.SourceBase':
         """Generate source from an XML element
 
         Parameters
@@ -306,14 +361,6 @@ class Source:
         if filename is not None:
             source.file = filename
 
-        library = get_text(elem, 'library')
-        if library is not None:
-            source.library = library
-
-        parameters = get_text(elem, 'parameters')
-        if parameters is not None:
-            source.parameters = parameters
-
         space = elem.find('space')
         if space is not None:
             source.space = Spatial.from_xml_element(space, meshes)
@@ -333,6 +380,210 @@ class Source:
         return source
 
 
+def Source(*args, **kwargs):
+    """
+    A function for backward compatibility of sources. Will be removed in the
+    future. Please update to IndependentSource.
+    """
+    warnings.warn("This class is deprecated in favor of 'IndependentSource'", FutureWarning)
+    return openmc.IndependentSource(*args, **kwargs)
+
+
+class CompiledSource(SourceBase):
+    """A source based on a compiled shared library
+
+    .. versionadded:: 0.13.4
+
+    Parameters
+    ----------
+    library : str or None
+        Path to a compiled shared library
+    parameters : str
+        Parameters to be provided to the compiled shared library function
+    strength : float
+        Strength of the source
+
+    Attributes
+    ----------
+    library : str or None
+        Path to a compiled shared library
+    parameters : str
+        Parameters to be provided to the compiled shared library function
+    strength : float
+        Strength of the source
+    type : str
+        Indicator of source type: 'compiled'
+
+    """
+    def __init__(self, library: Optional[str] = None, parameters: Optional[str] = None, strength=1.0) -> None:
+        super().__init__(strength=strength)
+
+        self._library = None
+        if library is not None:
+            self.library = library
+
+        self._parameters = None
+        if parameters is not None:
+            self.parameters = parameters
+
+    @property
+    def type(self) -> str:
+        return "compiled"
+
+    @property
+    def library(self) -> str:
+        return self._library
+
+    @library.setter
+    def library(self, library_name):
+        cv.check_type('library', library_name, str)
+        self._library = library_name
+
+    @property
+    def parameters(self) -> str:
+        return self._parameters
+
+    @parameters.setter
+    def parameters(self, parameters_path):
+        cv.check_type('parameters', parameters_path, str)
+        self._parameters = parameters_path
+
+    def populate_xml_element(self, element):
+        """Add necessary compiled source information to an XML element
+
+        Returns
+        -------
+        element : lxml.etree._Element
+            XML element containing source data
+
+        """
+        super().populate_xml_element(element)
+
+        element.set("library", self.library)
+
+        if self.parameters is not None:
+            element.set("parameters", self.parameters)
+
+    @classmethod
+    def from_xml_element(cls, elem: ET.Element, meshes=None) -> openmc.CompiledSource:
+        """Generate a compiled source from an XML element
+
+        Parameters
+        ----------
+        elem : lxml.etree._Element
+            XML element
+        meshes : dict
+            Dictionary with mesh IDs as keys and openmc.MeshBase instances as
+            values
+
+        Returns
+        -------
+        openmc.CompiledSource
+            Source generated from XML element
+
+        """
+        library = get_text(elem, 'library')
+
+        source = cls(library)
+
+        strength = get_text(elem, 'strength')
+        if strength is not None:
+            source.strength = float(strength)
+
+        parameters = get_text(elem, 'parameters')
+        if parameters is not None:
+            source.parameters = parameters
+
+        return source
+
+
+class FileSource(SourceBase):
+    """A source based on particles stored in a file
+
+    .. versionadded:: 0.13.4
+
+    Parameters
+    ----------
+    path : str or pathlib.Path
+        Path to the source file from which sites should be sampled
+    strength : float
+        Strength of the source (default is 1.0)
+
+    Attributes
+    ----------
+    path : Pathlike
+        Source file from which sites should be sampled
+    strength : float
+        Strength of the source
+    type : str
+        Indicator of source type: 'file'
+
+    """
+    def __init__(self, path: Optional[PathLike] = None, strength=1.0) -> None:
+        super().__init__(strength=strength)
+
+        self._path = None
+
+        if path is not None:
+            self.path = path
+
+    @property
+    def type(self) -> str:
+        return "file"
+
+    @property
+    def path(self) -> PathLike:
+        return self._path
+
+    @path.setter
+    def path(self, p: PathLike):
+        cv.check_type('source file', p, str)
+        self._path = p
+
+    def populate_xml_element(self, element):
+        """Add necessary file source information to an XML element
+
+        Returns
+        -------
+        element : lxml.etree._Element
+            XML element containing source data
+
+        """
+        super().populate_xml_element(element)
+
+        if self.path is not None:
+            element.set("file", self.path)
+
+    @classmethod
+    def from_xml_element(cls, elem: ET.Element) -> openmc.FileSource:
+        """Generate file source from an XML element
+
+        Parameters
+        ----------
+        elem : lxml.etree._Element
+            XML element
+        meshes : dict
+            Dictionary with mesh IDs as keys and openmc.MeshBase instances as
+            values
+
+        Returns
+        -------
+        openmc.FileSource
+            Source generated from XML element
+
+        """
+
+        filename = get_text(elem, 'file')
+
+        source = cls(filename)
+
+        strength = get_text(elem, 'strength')
+        if strength is not None:
+            source.strength = float(strength)
+
+        return source
+
+
 class ParticleType(IntEnum):
     """
     IntEnum class representing a particle type. Type
diff --git a/src/settings.cpp b/src/settings.cpp
index e16afbedc..1c039e9ba 100644
--- a/src/settings.cpp
+++ b/src/settings.cpp
@@ -458,7 +458,7 @@ void read_settings_xml(pugi::xml_node root)
 
       // Create custom source
       model::external_sources.push_back(
-        make_unique<CustomSourceWrapper>(path, parameters));
+        make_unique<CompiledSourceWrapper>(path, parameters));
     } else {
       model::external_sources.push_back(make_unique<IndependentSource>(node));
     }
diff --git a/src/source.cpp b/src/source.cpp
index 163c85676..817847b76 100644
--- a/src/source.cpp
+++ b/src/source.cpp
@@ -326,10 +326,10 @@ SourceSite FileSource::sample(uint64_t* seed) const
 }
 
 //==============================================================================
-// CustomSourceWrapper implementation
+// CompiledSourceWrapper implementation
 //==============================================================================
 
-CustomSourceWrapper::CustomSourceWrapper(
+CompiledSourceWrapper::CompiledSourceWrapper(
   std::string path, std::string parameters)
 {
 #ifdef HAS_DYNAMIC_LINKING
@@ -343,7 +343,7 @@ CustomSourceWrapper::CustomSourceWrapper(
   dlerror();
 
   // get the function to create the custom source from the library
-  auto create_custom_source = reinterpret_cast<create_custom_source_t*>(
+  auto create_compiled_source = reinterpret_cast<create_compiled_source_t*>(
     dlsym(shared_library_, "openmc_create_source"));
 
   // check for any dlsym errors
@@ -356,7 +356,7 @@ CustomSourceWrapper::CustomSourceWrapper(
   }
 
   // create a pointer to an instance of the custom source
-  custom_source_ = create_custom_source(parameters);
+  compiled_source_ = create_compiled_source(parameters);
 
 #else
   fatal_error("Custom source libraries have not yet been implemented for "
@@ -364,11 +364,11 @@ CustomSourceWrapper::CustomSourceWrapper(
 #endif
 }
 
-CustomSourceWrapper::~CustomSourceWrapper()
+CompiledSourceWrapper::~CompiledSourceWrapper()
 {
   // Make sure custom source is cleared before closing shared library
-  if (custom_source_.get())
-    custom_source_.reset();
+  if (compiled_source_.get())
+    compiled_source_.reset();
 
 #ifdef HAS_DYNAMIC_LINKING
   dlclose(shared_library_);
diff --git a/tests/regression_tests/adj_cell_rotation/inputs_true.dat b/tests/regression_tests/adj_cell_rotation/inputs_true.dat
index 48774bb02..7e2a0cf62 100644
--- a/tests/regression_tests/adj_cell_rotation/inputs_true.dat
+++ b/tests/regression_tests/adj_cell_rotation/inputs_true.dat
@@ -29,7 +29,7 @@
     <particles>10000</particles>
     <batches>10</batches>
     <inactive>5</inactive>
-    <source strength="1.0">
+    <source particle="neutron" strength="1.0" type="independent">
       <space type="box">
         <parameters>-4.0 -4.0 -4.0 4.0 4.0 4.0</parameters>
       </space>
diff --git a/tests/regression_tests/adj_cell_rotation/test.py b/tests/regression_tests/adj_cell_rotation/test.py
index 25aada5aa..9b867c18e 100644
--- a/tests/regression_tests/adj_cell_rotation/test.py
+++ b/tests/regression_tests/adj_cell_rotation/test.py
@@ -40,7 +40,7 @@ def model():
     model.settings.inactive = 5
     model.settings.batches = 10
     source_box = openmc.stats.Box((-4., -4., -4.), (4., 4., 4.))
-    model.settings.source = openmc.Source(space=source_box)
+    model.settings.source = openmc.IndependentSource(space=source_box)
 
     return model
 
diff --git a/tests/regression_tests/asymmetric_lattice/inputs_true.dat b/tests/regression_tests/asymmetric_lattice/inputs_true.dat
index 6a09b10a3..3977220da 100644
--- a/tests/regression_tests/asymmetric_lattice/inputs_true.dat
+++ b/tests/regression_tests/asymmetric_lattice/inputs_true.dat
@@ -208,7 +208,7 @@
     <particles>100</particles>
     <batches>10</batches>
     <inactive>5</inactive>
-    <source strength="1.0">
+    <source particle="neutron" strength="1.0" type="independent">
       <space type="fission">
         <parameters>-32 -32 0 32 32 32</parameters>
       </space>
diff --git a/tests/regression_tests/asymmetric_lattice/test.py b/tests/regression_tests/asymmetric_lattice/test.py
index 2197a1e7e..0d17a6c98 100644
--- a/tests/regression_tests/asymmetric_lattice/test.py
+++ b/tests/regression_tests/asymmetric_lattice/test.py
@@ -54,7 +54,7 @@ class AsymmetricLatticeTestHarness(PyAPITestHarness):
         self._model.tallies.append(tally)
 
         # Specify summary output and correct source sampling box
-        self._model.settings.source = openmc.Source(space=openmc.stats.Box(
+        self._model.settings.source = openmc.IndependentSource(space=openmc.stats.Box(
             [-32, -32, 0], [32, 32, 32], only_fissionable = True))
 
     def _get_results(self, hash_output=True):
diff --git a/tests/regression_tests/create_fission_neutrons/inputs_true.dat b/tests/regression_tests/create_fission_neutrons/inputs_true.dat
index 8ee6f8b64..9e44a0224 100644
--- a/tests/regression_tests/create_fission_neutrons/inputs_true.dat
+++ b/tests/regression_tests/create_fission_neutrons/inputs_true.dat
@@ -20,7 +20,7 @@
     <run_mode>fixed source</run_mode>
     <particles>100</particles>
     <batches>10</batches>
-    <source strength="1.0">
+    <source particle="neutron" strength="1.0" type="independent">
       <space type="box">
         <parameters>-1 -1 -1 1 1 1</parameters>
       </space>
diff --git a/tests/regression_tests/create_fission_neutrons/test.py b/tests/regression_tests/create_fission_neutrons/test.py
index 82bfaafa6..0ca4a48b2 100755
--- a/tests/regression_tests/create_fission_neutrons/test.py
+++ b/tests/regression_tests/create_fission_neutrons/test.py
@@ -38,8 +38,8 @@ class CreateFissionNeutronsTestHarness(PyAPITestHarness):
         bounds = [-1, -1, -1, 1, 1, 1]
         uniform_dist = openmc.stats.Box(bounds[:3], bounds[3:])
         watt_dist = openmc.stats.Watt()
-        settings_file.source = openmc.source.Source(space=uniform_dist,
-                                                    energy=watt_dist)
+        settings_file.source = openmc.IndependentSource(space=uniform_dist,
+                                                        energy=watt_dist)
         self._model.settings = settings_file
 
         # Create tallies
diff --git a/tests/regression_tests/dagmc/external/inputs_true.dat b/tests/regression_tests/dagmc/external/inputs_true.dat
index 7237f4d46..31f4c1f88 100644
--- a/tests/regression_tests/dagmc/external/inputs_true.dat
+++ b/tests/regression_tests/dagmc/external/inputs_true.dat
@@ -20,7 +20,7 @@
     <particles>100</particles>
     <batches>5</batches>
     <inactive>0</inactive>
-    <source strength="1.0">
+    <source particle="neutron" strength="1.0" type="independent">
       <space type="box">
         <parameters>-4 -4 -4 4 4 4</parameters>
       </space>
diff --git a/tests/regression_tests/dagmc/external/test.py b/tests/regression_tests/dagmc/external/test.py
index 93123ae1e..7993772e8 100644
--- a/tests/regression_tests/dagmc/external/test.py
+++ b/tests/regression_tests/dagmc/external/test.py
@@ -65,7 +65,7 @@ def model():
     model.settings.particles = 100
     source_box = openmc.stats.Box([-4, -4, -4],
                                   [ 4,  4,  4])
-    source = openmc.Source(space=source_box)
+    source = openmc.IndependentSource(space=source_box)
     model.settings.source = source
     model.settings.temperature['default'] = 293
 
diff --git a/tests/regression_tests/dagmc/legacy/inputs_true.dat b/tests/regression_tests/dagmc/legacy/inputs_true.dat
index b6e5133a4..b06516cb1 100644
--- a/tests/regression_tests/dagmc/legacy/inputs_true.dat
+++ b/tests/regression_tests/dagmc/legacy/inputs_true.dat
@@ -20,7 +20,7 @@
     <particles>100</particles>
     <batches>5</batches>
     <inactive>0</inactive>
-    <source strength="1.0">
+    <source particle="neutron" strength="1.0" type="independent">
       <space type="box">
         <parameters>-4 -4 -4 4 4 4</parameters>
       </space>
diff --git a/tests/regression_tests/dagmc/legacy/test.py b/tests/regression_tests/dagmc/legacy/test.py
index 36da44808..7e4e6e134 100644
--- a/tests/regression_tests/dagmc/legacy/test.py
+++ b/tests/regression_tests/dagmc/legacy/test.py
@@ -22,7 +22,7 @@ def model():
 
     source_box = openmc.stats.Box([-4, -4, -4],
                                   [ 4,  4,  4])
-    source = openmc.Source(space=source_box)
+    source = openmc.IndependentSource(space=source_box)
 
     model.settings.source = source
 
diff --git a/tests/regression_tests/dagmc/refl/inputs_true.dat b/tests/regression_tests/dagmc/refl/inputs_true.dat
index 126702e38..979eeb492 100644
--- a/tests/regression_tests/dagmc/refl/inputs_true.dat
+++ b/tests/regression_tests/dagmc/refl/inputs_true.dat
@@ -10,7 +10,7 @@
     <particles>100</particles>
     <batches>5</batches>
     <inactive>0</inactive>
-    <source strength="1.0">
+    <source particle="neutron" strength="1.0" type="independent">
       <space type="box">
         <parameters>-4 -4 -4 4 4 4</parameters>
       </space>
diff --git a/tests/regression_tests/dagmc/refl/test.py b/tests/regression_tests/dagmc/refl/test.py
index 5b08f0c4a..03c1c407b 100644
--- a/tests/regression_tests/dagmc/refl/test.py
+++ b/tests/regression_tests/dagmc/refl/test.py
@@ -18,8 +18,8 @@ class UWUWTest(PyAPITestHarness):
         self._model.settings.inactive = 0
         self._model.settings.particles = 100
 
-        source = openmc.Source(space=Box([-4, -4, -4],
-                                         [ 4,  4,  4]))
+        source = openmc.IndependentSource(space=Box([-4, -4, -4],
+                                                    [ 4,  4,  4]))
         self._model.settings.source = source
 
         # geometry
diff --git a/tests/regression_tests/dagmc/uwuw/inputs_true.dat b/tests/regression_tests/dagmc/uwuw/inputs_true.dat
index e6537a30e..d7e4a12aa 100644
--- a/tests/regression_tests/dagmc/uwuw/inputs_true.dat
+++ b/tests/regression_tests/dagmc/uwuw/inputs_true.dat
@@ -10,7 +10,7 @@
     <particles>100</particles>
     <batches>5</batches>
     <inactive>0</inactive>
-    <source strength="1.0">
+    <source particle="neutron" strength="1.0" type="independent">
       <space type="box">
         <parameters>-4 -4 -4 4 4 4</parameters>
       </space>
diff --git a/tests/regression_tests/dagmc/uwuw/test.py b/tests/regression_tests/dagmc/uwuw/test.py
index 19986e589..38c335a5e 100644
--- a/tests/regression_tests/dagmc/uwuw/test.py
+++ b/tests/regression_tests/dagmc/uwuw/test.py
@@ -18,8 +18,8 @@ class UWUWTest(PyAPITestHarness):
         self._model.settings.inactive = 0
         self._model.settings.particles = 100
 
-        source = openmc.Source(space=Box([-4, -4, -4],
-                                         [ 4,  4,  4]))
+        source = openmc.IndependentSource(space=Box([-4, -4, -4],
+                                                    [ 4,  4,  4]))
         self._model.settings.source = source
 
         # geometry
diff --git a/tests/regression_tests/deplete_with_transport/test.py b/tests/regression_tests/deplete_with_transport/test.py
index 477959d1c..49e020367 100644
--- a/tests/regression_tests/deplete_with_transport/test.py
+++ b/tests/regression_tests/deplete_with_transport/test.py
@@ -46,7 +46,7 @@ def test_full(run_in_tmpdir, problem, multiproc):
     settings.batches = 10
     settings.inactive = 0
     space = openmc.stats.Box(lower_left, upper_right)
-    settings.source = openmc.Source(space=space)
+    settings.source = openmc.IndependentSource(space=space)
     settings.seed = 1
     settings.verbosity = 1
 
diff --git a/tests/regression_tests/diff_tally/inputs_true.dat b/tests/regression_tests/diff_tally/inputs_true.dat
index 5fad7175d..3ec4154e8 100644
--- a/tests/regression_tests/diff_tally/inputs_true.dat
+++ b/tests/regression_tests/diff_tally/inputs_true.dat
@@ -300,7 +300,7 @@
     <particles>100</particles>
     <batches>3</batches>
     <inactive>0</inactive>
-    <source strength="1.0">
+    <source particle="neutron" strength="1.0" type="independent">
       <space type="box">
         <parameters>-160 -160 -183 160 160 183</parameters>
       </space>
diff --git a/tests/regression_tests/diff_tally/test.py b/tests/regression_tests/diff_tally/test.py
index 18c501372..89460df91 100644
--- a/tests/regression_tests/diff_tally/test.py
+++ b/tests/regression_tests/diff_tally/test.py
@@ -16,7 +16,7 @@ class DiffTallyTestHarness(PyAPITestHarness):
         self._model.settings.batches = 3
         self._model.settings.inactive = 0
         self._model.settings.particles = 100
-        self._model.settings.source = openmc.Source(space=openmc.stats.Box(
+        self._model.settings.source = openmc.IndependentSource(space=openmc.stats.Box(
             [-160, -160, -183], [160, 160, 183]))
         self._model.settings.temperature['multipole'] = True
 
diff --git a/tests/regression_tests/distribmat/inputs_true.dat b/tests/regression_tests/distribmat/inputs_true.dat
index d002f0beb..ade86999d 100644
--- a/tests/regression_tests/distribmat/inputs_true.dat
+++ b/tests/regression_tests/distribmat/inputs_true.dat
@@ -40,7 +40,7 @@
     <particles>1000</particles>
     <batches>5</batches>
     <inactive>0</inactive>
-    <source strength="1.0">
+    <source particle="neutron" strength="1.0" type="independent">
       <space type="box">
         <parameters>-1 -1 -1 1 1 1</parameters>
       </space>
diff --git a/tests/regression_tests/distribmat/test.py b/tests/regression_tests/distribmat/test.py
index ab7897313..02f7e773e 100644
--- a/tests/regression_tests/distribmat/test.py
+++ b/tests/regression_tests/distribmat/test.py
@@ -65,7 +65,7 @@ class DistribmatTestHarness(PyAPITestHarness):
         sets_file.batches = 5
         sets_file.inactive = 0
         sets_file.particles = 1000
-        sets_file.source = openmc.Source(space=openmc.stats.Box(
+        sets_file.source = openmc.IndependentSource(space=openmc.stats.Box(
             [-1, -1, -1], [1, 1, 1]))
         self._model.settings = sets_file
 
diff --git a/tests/regression_tests/eigenvalue_genperbatch/inputs_true.dat b/tests/regression_tests/eigenvalue_genperbatch/inputs_true.dat
index 690cd14e3..a3e67d62f 100644
--- a/tests/regression_tests/eigenvalue_genperbatch/inputs_true.dat
+++ b/tests/regression_tests/eigenvalue_genperbatch/inputs_true.dat
@@ -16,7 +16,7 @@
     <batches>7</batches>
     <inactive>3</inactive>
     <generations_per_batch>3</generations_per_batch>
-    <source strength="1.0">
+    <source particle="neutron" strength="1.0" type="independent">
       <space type="box">
         <parameters>-4.0 -4.0 -4.0 4.0 4.0 4.0</parameters>
       </space>
diff --git a/tests/regression_tests/eigenvalue_genperbatch/test.py b/tests/regression_tests/eigenvalue_genperbatch/test.py
index 7e21c8d36..17c6dff7f 100644
--- a/tests/regression_tests/eigenvalue_genperbatch/test.py
+++ b/tests/regression_tests/eigenvalue_genperbatch/test.py
@@ -22,7 +22,7 @@ def model():
     model.settings.batches = 7
     model.settings.generations_per_batch = 3
     space = openmc.stats.Box((-4.0, -4.0, -4.0), (4.0, 4.0, 4.))
-    model.settings.source = openmc.Source(space=space)
+    model.settings.source = openmc.IndependentSource(space=space)
 
     t = openmc.Tally()
     t.scores = ['flux']
diff --git a/tests/regression_tests/energy_cutoff/inputs_true.dat b/tests/regression_tests/energy_cutoff/inputs_true.dat
index c24164dd8..af8f86b67 100644
--- a/tests/regression_tests/energy_cutoff/inputs_true.dat
+++ b/tests/regression_tests/energy_cutoff/inputs_true.dat
@@ -19,7 +19,7 @@
     <run_mode>fixed source</run_mode>
     <particles>100</particles>
     <batches>10</batches>
-    <source strength="1.0">
+    <source particle="neutron" strength="1.0" type="independent">
       <space type="box">
         <parameters>-1 -1 -1 1 1 1</parameters>
       </space>
diff --git a/tests/regression_tests/energy_cutoff/test.py b/tests/regression_tests/energy_cutoff/test.py
index e05d17f5f..9aca802fa 100755
--- a/tests/regression_tests/energy_cutoff/test.py
+++ b/tests/regression_tests/energy_cutoff/test.py
@@ -40,8 +40,8 @@ class EnergyCutoffTestHarness(PyAPITestHarness):
         bounds = [-1, -1, -1, 1, 1, 1]
         uniform_dist = openmc.stats.Box(bounds[:3], bounds[3:])
         watt_dist = openmc.stats.Watt()
-        settings_file.source = openmc.source.Source(space=uniform_dist,
-                                                    energy=watt_dist)
+        settings_file.source = openmc.IndependentSource(space=uniform_dist,
+                                                        energy=watt_dist)
         self._model.settings = settings_file
 
         # Tally flux under energy cutoff
diff --git a/tests/regression_tests/external_moab/inputs_true.dat b/tests/regression_tests/external_moab/inputs_true.dat
index d54f5db0e..23b656bce 100644
--- a/tests/regression_tests/external_moab/inputs_true.dat
+++ b/tests/regression_tests/external_moab/inputs_true.dat
@@ -46,7 +46,7 @@
     <run_mode>fixed source</run_mode>
     <particles>100</particles>
     <batches>10</batches>
-    <source strength="1.0">
+    <source particle="neutron" strength="1.0" type="independent">
       <space type="point">
         <parameters>0.0 0.0 0.0</parameters>
       </space>
diff --git a/tests/regression_tests/external_moab/test.py b/tests/regression_tests/external_moab/test.py
index 12e0e5425..90bff69ed 100644
--- a/tests/regression_tests/external_moab/test.py
+++ b/tests/regression_tests/external_moab/test.py
@@ -258,7 +258,7 @@ def test_external_mesh(cpp_driver):
     space = openmc.stats.Point()
     angle = openmc.stats.Monodirectional((-1.0, 0.0, 0.0))
     energy = openmc.stats.Discrete(x=[15.e+06], p=[1.0])
-    source = openmc.Source(space=space, energy=energy, angle=angle)
+    source = openmc.IndependentSource(space=space, energy=energy, angle=angle)
     settings.source = source
 
     model = openmc.model.Model(geometry=geometry,
diff --git a/tests/regression_tests/filter_cellinstance/inputs_true.dat b/tests/regression_tests/filter_cellinstance/inputs_true.dat
index d3e0937ec..b17cc0eb5 100644
--- a/tests/regression_tests/filter_cellinstance/inputs_true.dat
+++ b/tests/regression_tests/filter_cellinstance/inputs_true.dat
@@ -39,7 +39,7 @@
     <particles>1000</particles>
     <batches>5</batches>
     <inactive>0</inactive>
-    <source strength="1.0">
+    <source particle="neutron" strength="1.0" type="independent">
       <space type="point">
         <parameters>0.0 0.0 0.0</parameters>
       </space>
diff --git a/tests/regression_tests/filter_cellinstance/test.py b/tests/regression_tests/filter_cellinstance/test.py
index 3f5fa54b2..0d6ad9366 100644
--- a/tests/regression_tests/filter_cellinstance/test.py
+++ b/tests/regression_tests/filter_cellinstance/test.py
@@ -69,7 +69,7 @@ def model():
     model.settings.batches = 5
     model.settings.inactive = 0
     model.settings.particles = 1000
-    model.settings.source = openmc.Source(space=openmc.stats.Point())
+    model.settings.source = openmc.IndependentSource(space=openmc.stats.Point())
 
     instances = ([(c4, i) for i in range(c4.num_instances)] +
                  [(c2, i) for i in range(c2.num_instances)] +
diff --git a/tests/regression_tests/fixed_source/inputs_true.dat b/tests/regression_tests/fixed_source/inputs_true.dat
index 60043f20c..0fdb1466e 100644
--- a/tests/regression_tests/fixed_source/inputs_true.dat
+++ b/tests/regression_tests/fixed_source/inputs_true.dat
@@ -15,7 +15,7 @@
     <run_mode>fixed source</run_mode>
     <particles>100</particles>
     <batches>10</batches>
-    <source strength="10.0">
+    <source particle="neutron" strength="10.0" type="independent">
       <space type="point">
         <parameters>0.0 0.0 0.0</parameters>
       </space>
diff --git a/tests/regression_tests/fixed_source/test.py b/tests/regression_tests/fixed_source/test.py
index 74908f87c..b9ee25125 100644
--- a/tests/regression_tests/fixed_source/test.py
+++ b/tests/regression_tests/fixed_source/test.py
@@ -48,8 +48,8 @@ def test_fixed_source():
     model.settings.batches = 10
     model.settings.particles = 100
     model.settings.temperature = {'default': 294}
-    model.settings.source = openmc.Source(space=openmc.stats.Point(),
-                                          strength=10.0)
+    model.settings.source = openmc.IndependentSource(space=openmc.stats.Point(),
+                                                     strength=10.0)
 
     tally = openmc.Tally()
     tally.scores = ['flux']
diff --git a/tests/regression_tests/iso_in_lab/inputs_true.dat b/tests/regression_tests/iso_in_lab/inputs_true.dat
index 2bb81da6d..bb6494ada 100644
--- a/tests/regression_tests/iso_in_lab/inputs_true.dat
+++ b/tests/regression_tests/iso_in_lab/inputs_true.dat
@@ -312,7 +312,7 @@
     <particles>100</particles>
     <batches>10</batches>
     <inactive>5</inactive>
-    <source strength="1.0">
+    <source particle="neutron" strength="1.0" type="independent">
       <space type="box">
         <parameters>-160 -160 -183 160 160 183</parameters>
       </space>
diff --git a/tests/regression_tests/lattice_hex_coincident/inputs_true.dat b/tests/regression_tests/lattice_hex_coincident/inputs_true.dat
index c51a38c89..7a83fb471 100644
--- a/tests/regression_tests/lattice_hex_coincident/inputs_true.dat
+++ b/tests/regression_tests/lattice_hex_coincident/inputs_true.dat
@@ -68,7 +68,7 @@
     <particles>1000</particles>
     <batches>5</batches>
     <inactive>2</inactive>
-    <source strength="1.0">
+    <source particle="neutron" strength="1.0" type="independent">
       <space type="box">
         <parameters>-0.9899494936611666 -0.9899494936611666 0.0 0.9899494936611666 0.9899494936611666 10.0</parameters>
       </space>
diff --git a/tests/regression_tests/lattice_hex_coincident/test.py b/tests/regression_tests/lattice_hex_coincident/test.py
index fae7f939b..5a4760cd7 100644
--- a/tests/regression_tests/lattice_hex_coincident/test.py
+++ b/tests/regression_tests/lattice_hex_coincident/test.py
@@ -132,7 +132,7 @@ class HexLatticeCoincidentTestHarness(PyAPITestHarness):
         settings = openmc.Settings()
         settings.run_mode = 'eigenvalue'
 
-        source = openmc.Source()
+        source = openmc.IndependentSource()
         corner_dist = sqrt(2) * pin_rad
         ll = [-corner_dist, -corner_dist, 0.0]
         ur = [corner_dist, corner_dist, 10.0]
diff --git a/tests/regression_tests/lattice_hex_x/inputs_true.dat b/tests/regression_tests/lattice_hex_x/inputs_true.dat
index c51012029..2946258e8 100644
--- a/tests/regression_tests/lattice_hex_x/inputs_true.dat
+++ b/tests/regression_tests/lattice_hex_x/inputs_true.dat
@@ -113,7 +113,7 @@
     <particles>1000</particles>
     <batches>10</batches>
     <inactive>5</inactive>
-    <source strength="1.0">
+    <source particle="neutron" strength="1.0" type="independent">
       <space type="box">
         <parameters>-13.62546635287517 -13.62546635287517 0.0 13.62546635287517 13.62546635287517 10.0</parameters>
       </space>
diff --git a/tests/regression_tests/lattice_hex_x/test.py b/tests/regression_tests/lattice_hex_x/test.py
index e582c68ae..23aec77d3 100644
--- a/tests/regression_tests/lattice_hex_x/test.py
+++ b/tests/regression_tests/lattice_hex_x/test.py
@@ -187,7 +187,7 @@ class HexLatticeOXTestHarness(PyAPITestHarness):
         settings = openmc.Settings()
         settings.run_mode = 'eigenvalue'
 
-        source = openmc.Source()
+        source = openmc.IndependentSource()
         ll = [-edge_length, -edge_length, 0.0]
         ur = [edge_length, edge_length, 10.0]
         source.space = openmc.stats.Box(ll, ur)
diff --git a/tests/regression_tests/lattice_rotated/inputs_true.dat b/tests/regression_tests/lattice_rotated/inputs_true.dat
index 3a8a0784e..1b7c74870 100644
--- a/tests/regression_tests/lattice_rotated/inputs_true.dat
+++ b/tests/regression_tests/lattice_rotated/inputs_true.dat
@@ -62,7 +62,7 @@
     <particles>1000</particles>
     <batches>5</batches>
     <inactive>0</inactive>
-    <source strength="1.0">
+    <source particle="neutron" strength="1.0" type="independent">
       <space type="point">
         <parameters>0.0 0.0 0.0</parameters>
       </space>
diff --git a/tests/regression_tests/lattice_rotated/test.py b/tests/regression_tests/lattice_rotated/test.py
index 9cab92e1e..63641fb84 100644
--- a/tests/regression_tests/lattice_rotated/test.py
+++ b/tests/regression_tests/lattice_rotated/test.py
@@ -73,7 +73,7 @@ def rotated_lattice_model():
     model.settings.batches = 5
     model.settings.inactive = 0
     model.settings.particles = 1000
-    model.settings.source = openmc.Source(space=openmc.stats.Point())
+    model.settings.source = openmc.IndependentSource(space=openmc.stats.Point())
     model.settings.export_to_xml()
 
     return model
diff --git a/tests/regression_tests/mg_basic/inputs_true.dat b/tests/regression_tests/mg_basic/inputs_true.dat
index 5ec5ade75..8c6faaf07 100644
--- a/tests/regression_tests/mg_basic/inputs_true.dat
+++ b/tests/regression_tests/mg_basic/inputs_true.dat
@@ -48,7 +48,7 @@
     <particles>1000</particles>
     <batches>10</batches>
     <inactive>5</inactive>
-    <source strength="1.0">
+    <source particle="neutron" strength="1.0" type="independent">
       <space type="box">
         <parameters>0.0 -1000.0 -1000.0 154.90833333333333 1000.0 1000.0</parameters>
       </space>
diff --git a/tests/regression_tests/mg_basic_delayed/inputs_true.dat b/tests/regression_tests/mg_basic_delayed/inputs_true.dat
index b3f1993d9..e0bcad15c 100644
--- a/tests/regression_tests/mg_basic_delayed/inputs_true.dat
+++ b/tests/regression_tests/mg_basic_delayed/inputs_true.dat
@@ -47,7 +47,7 @@
     <particles>1000</particles>
     <batches>10</batches>
     <inactive>5</inactive>
-    <source strength="1.0">
+    <source particle="neutron" strength="1.0" type="independent">
       <space type="box">
         <parameters>0.0 -1000.0 -1000.0 154.90833333333333 1000.0 1000.0</parameters>
       </space>
diff --git a/tests/regression_tests/mg_convert/inputs_true.dat b/tests/regression_tests/mg_convert/inputs_true.dat
index 8277ca483..4e51ec80c 100644
--- a/tests/regression_tests/mg_convert/inputs_true.dat
+++ b/tests/regression_tests/mg_convert/inputs_true.dat
@@ -19,7 +19,7 @@
     <particles>100</particles>
     <batches>10</batches>
     <inactive>5</inactive>
-    <source strength="1.0">
+    <source particle="neutron" strength="1.0" type="independent">
       <space type="box">
         <parameters>-5 -5 -5 5 5 5</parameters>
       </space>
diff --git a/tests/regression_tests/mg_convert/test.py b/tests/regression_tests/mg_convert/test.py
index d9c4a57bd..8099c89a2 100755
--- a/tests/regression_tests/mg_convert/test.py
+++ b/tests/regression_tests/mg_convert/test.py
@@ -114,7 +114,7 @@ class MGXSTestHarness(PyAPITestHarness):
         # Create an initial uniform spatial source distribution
         bounds = [-5, -5, -5, 5, 5, 5]
         uniform_dist = openmc.stats.Box(bounds[:3], bounds[3:])
-        settings_file.source = openmc.source.Source(space=uniform_dist)
+        settings_file.source = openmc.IndependentSource(space=uniform_dist)
 
         self._model.settings = settings_file
 
diff --git a/tests/regression_tests/mg_legendre/inputs_true.dat b/tests/regression_tests/mg_legendre/inputs_true.dat
index 4b7293d81..34ff7b630 100644
--- a/tests/regression_tests/mg_legendre/inputs_true.dat
+++ b/tests/regression_tests/mg_legendre/inputs_true.dat
@@ -17,7 +17,7 @@
     <particles>1000</particles>
     <batches>10</batches>
     <inactive>5</inactive>
-    <source strength="1.0">
+    <source particle="neutron" strength="1.0" type="independent">
       <space type="box">
         <parameters>0.0 -1000.0 -1000.0 929.45 1000.0 1000.0</parameters>
       </space>
diff --git a/tests/regression_tests/mg_max_order/inputs_true.dat b/tests/regression_tests/mg_max_order/inputs_true.dat
index 82699d00e..b6d70dc4c 100644
--- a/tests/regression_tests/mg_max_order/inputs_true.dat
+++ b/tests/regression_tests/mg_max_order/inputs_true.dat
@@ -17,7 +17,7 @@
     <particles>1000</particles>
     <batches>10</batches>
     <inactive>5</inactive>
-    <source strength="1.0">
+    <source particle="neutron" strength="1.0" type="independent">
       <space type="box">
         <parameters>0.0 -1000.0 -1000.0 929.45 1000.0 1000.0</parameters>
       </space>
diff --git a/tests/regression_tests/mg_survival_biasing/inputs_true.dat b/tests/regression_tests/mg_survival_biasing/inputs_true.dat
index 2b5801e12..6529c60d8 100644
--- a/tests/regression_tests/mg_survival_biasing/inputs_true.dat
+++ b/tests/regression_tests/mg_survival_biasing/inputs_true.dat
@@ -17,7 +17,7 @@
     <particles>1000</particles>
     <batches>10</batches>
     <inactive>5</inactive>
-    <source strength="1.0">
+    <source particle="neutron" strength="1.0" type="independent">
       <space type="box">
         <parameters>0.0 -1000.0 -1000.0 929.45 1000.0 1000.0</parameters>
       </space>
diff --git a/tests/regression_tests/mg_tallies/inputs_true.dat b/tests/regression_tests/mg_tallies/inputs_true.dat
index b7d362b17..c526b65a2 100644
--- a/tests/regression_tests/mg_tallies/inputs_true.dat
+++ b/tests/regression_tests/mg_tallies/inputs_true.dat
@@ -17,7 +17,7 @@
     <particles>1000</particles>
     <batches>10</batches>
     <inactive>5</inactive>
-    <source strength="1.0">
+    <source particle="neutron" strength="1.0" type="independent">
       <space type="box">
         <parameters>0.0 -1000.0 -1000.0 929.45 1000.0 1000.0</parameters>
       </space>
diff --git a/tests/regression_tests/mg_temperature/build_2g.py b/tests/regression_tests/mg_temperature/build_2g.py
index 42f948be1..f236031a7 100644
--- a/tests/regression_tests/mg_temperature/build_2g.py
+++ b/tests/regression_tests/mg_temperature/build_2g.py
@@ -291,6 +291,6 @@ def build_inf_model(xsnames, xslibname, temperature, tempmethod='nearest'):
     bounds = [-INF, -INF, -INF, INF, INF, INF]
     uniform_dist = openmc.stats.Box(bounds[:3], bounds[3:], only_fissionable=True)
     settings_file.temperature = {'method': tempmethod}
-    settings_file.source = openmc.Source(space=uniform_dist)
+    settings_file.source = openmc.IndependentSource(space=uniform_dist)
     model.settings = settings_file
     model.export_to_model_xml()
diff --git a/tests/regression_tests/mgxs_library_ce_to_mg/inputs_true.dat b/tests/regression_tests/mgxs_library_ce_to_mg/inputs_true.dat
index 74067874a..d9a3c52c8 100644
--- a/tests/regression_tests/mgxs_library_ce_to_mg/inputs_true.dat
+++ b/tests/regression_tests/mgxs_library_ce_to_mg/inputs_true.dat
@@ -41,7 +41,7 @@
     <particles>100</particles>
     <batches>10</batches>
     <inactive>5</inactive>
-    <source strength="1.0">
+    <source particle="neutron" strength="1.0" type="independent">
       <space type="fission">
         <parameters>-0.63 -0.63 -1 0.63 0.63 1</parameters>
       </space>
diff --git a/tests/regression_tests/mgxs_library_ce_to_mg_nuclides/inputs_true.dat b/tests/regression_tests/mgxs_library_ce_to_mg_nuclides/inputs_true.dat
index 13a6ea6d4..f84adc329 100644
--- a/tests/regression_tests/mgxs_library_ce_to_mg_nuclides/inputs_true.dat
+++ b/tests/regression_tests/mgxs_library_ce_to_mg_nuclides/inputs_true.dat
@@ -41,7 +41,7 @@
     <particles>100</particles>
     <batches>10</batches>
     <inactive>5</inactive>
-    <source strength="1.0">
+    <source particle="neutron" strength="1.0" type="independent">
       <space type="fission">
         <parameters>-0.63 -0.63 -1 0.63 0.63 1</parameters>
       </space>
diff --git a/tests/regression_tests/mgxs_library_condense/inputs_true.dat b/tests/regression_tests/mgxs_library_condense/inputs_true.dat
index ce7095765..93519cd2a 100644
--- a/tests/regression_tests/mgxs_library_condense/inputs_true.dat
+++ b/tests/regression_tests/mgxs_library_condense/inputs_true.dat
@@ -41,7 +41,7 @@
     <particles>100</particles>
     <batches>10</batches>
     <inactive>5</inactive>
-    <source strength="1.0">
+    <source particle="neutron" strength="1.0" type="independent">
       <space type="fission">
         <parameters>-0.63 -0.63 -1 0.63 0.63 1</parameters>
       </space>
diff --git a/tests/regression_tests/mgxs_library_correction/inputs_true.dat b/tests/regression_tests/mgxs_library_correction/inputs_true.dat
index 4d9dbecd6..80cbc4bb5 100644
--- a/tests/regression_tests/mgxs_library_correction/inputs_true.dat
+++ b/tests/regression_tests/mgxs_library_correction/inputs_true.dat
@@ -41,7 +41,7 @@
     <particles>100</particles>
     <batches>10</batches>
     <inactive>5</inactive>
-    <source strength="1.0">
+    <source particle="neutron" strength="1.0" type="independent">
       <space type="fission">
         <parameters>-0.63 -0.63 -1 0.63 0.63 1</parameters>
       </space>
diff --git a/tests/regression_tests/mgxs_library_distribcell/inputs_true.dat b/tests/regression_tests/mgxs_library_distribcell/inputs_true.dat
index 893e0b3bf..fc2c06d1c 100644
--- a/tests/regression_tests/mgxs_library_distribcell/inputs_true.dat
+++ b/tests/regression_tests/mgxs_library_distribcell/inputs_true.dat
@@ -68,7 +68,7 @@
     <particles>100</particles>
     <batches>10</batches>
     <inactive>5</inactive>
-    <source strength="1.0">
+    <source particle="neutron" strength="1.0" type="independent">
       <space type="fission">
         <parameters>-10.71 -10.71 -1 10.71 10.71 1</parameters>
       </space>
diff --git a/tests/regression_tests/mgxs_library_hdf5/inputs_true.dat b/tests/regression_tests/mgxs_library_hdf5/inputs_true.dat
index ce7095765..93519cd2a 100644
--- a/tests/regression_tests/mgxs_library_hdf5/inputs_true.dat
+++ b/tests/regression_tests/mgxs_library_hdf5/inputs_true.dat
@@ -41,7 +41,7 @@
     <particles>100</particles>
     <batches>10</batches>
     <inactive>5</inactive>
-    <source strength="1.0">
+    <source particle="neutron" strength="1.0" type="independent">
       <space type="fission">
         <parameters>-0.63 -0.63 -1 0.63 0.63 1</parameters>
       </space>
diff --git a/tests/regression_tests/mgxs_library_histogram/inputs_true.dat b/tests/regression_tests/mgxs_library_histogram/inputs_true.dat
index f45b7dbf3..178a44464 100644
--- a/tests/regression_tests/mgxs_library_histogram/inputs_true.dat
+++ b/tests/regression_tests/mgxs_library_histogram/inputs_true.dat
@@ -41,7 +41,7 @@
     <particles>100</particles>
     <batches>10</batches>
     <inactive>5</inactive>
-    <source strength="1.0">
+    <source particle="neutron" strength="1.0" type="independent">
       <space type="fission">
         <parameters>-0.63 -0.63 -1 0.63 0.63 1</parameters>
       </space>
diff --git a/tests/regression_tests/mgxs_library_no_nuclides/inputs_true.dat b/tests/regression_tests/mgxs_library_no_nuclides/inputs_true.dat
index 0608d6f96..0003413ac 100644
--- a/tests/regression_tests/mgxs_library_no_nuclides/inputs_true.dat
+++ b/tests/regression_tests/mgxs_library_no_nuclides/inputs_true.dat
@@ -41,7 +41,7 @@
     <particles>100</particles>
     <batches>10</batches>
     <inactive>5</inactive>
-    <source strength="1.0">
+    <source particle="neutron" strength="1.0" type="independent">
       <space type="fission">
         <parameters>-0.63 -0.63 -1 0.63 0.63 1</parameters>
       </space>
diff --git a/tests/regression_tests/mgxs_library_nuclides/inputs_true.dat b/tests/regression_tests/mgxs_library_nuclides/inputs_true.dat
index 215bb7c9f..97e227177 100644
--- a/tests/regression_tests/mgxs_library_nuclides/inputs_true.dat
+++ b/tests/regression_tests/mgxs_library_nuclides/inputs_true.dat
@@ -41,7 +41,7 @@
     <particles>100</particles>
     <batches>10</batches>
     <inactive>5</inactive>
-    <source strength="1.0">
+    <source particle="neutron" strength="1.0" type="independent">
       <space type="fission">
         <parameters>-0.63 -0.63 -1 0.63 0.63 1</parameters>
       </space>
diff --git a/tests/regression_tests/mgxs_library_specific_nuclides/inputs_true.dat b/tests/regression_tests/mgxs_library_specific_nuclides/inputs_true.dat
index 907bf43cc..b73ed179e 100644
--- a/tests/regression_tests/mgxs_library_specific_nuclides/inputs_true.dat
+++ b/tests/regression_tests/mgxs_library_specific_nuclides/inputs_true.dat
@@ -41,7 +41,7 @@
     <particles>100</particles>
     <batches>10</batches>
     <inactive>5</inactive>
-    <source strength="1.0">
+    <source particle="neutron" strength="1.0" type="independent">
       <space type="fission">
         <parameters>-0.63 -0.63 -1 0.63 0.63 1</parameters>
       </space>
diff --git a/tests/regression_tests/model_xml/adj_cell_rotation_inputs_true.dat b/tests/regression_tests/model_xml/adj_cell_rotation_inputs_true.dat
index 48774bb02..7e2a0cf62 100644
--- a/tests/regression_tests/model_xml/adj_cell_rotation_inputs_true.dat
+++ b/tests/regression_tests/model_xml/adj_cell_rotation_inputs_true.dat
@@ -29,7 +29,7 @@
     <particles>10000</particles>
     <batches>10</batches>
     <inactive>5</inactive>
-    <source strength="1.0">
+    <source particle="neutron" strength="1.0" type="independent">
       <space type="box">
         <parameters>-4.0 -4.0 -4.0 4.0 4.0 4.0</parameters>
       </space>
diff --git a/tests/regression_tests/model_xml/photon_production_inputs_true.dat b/tests/regression_tests/model_xml/photon_production_inputs_true.dat
index 109b54c67..ee6cb8862 100644
--- a/tests/regression_tests/model_xml/photon_production_inputs_true.dat
+++ b/tests/regression_tests/model_xml/photon_production_inputs_true.dat
@@ -19,7 +19,7 @@
     <run_mode>fixed source</run_mode>
     <particles>10000</particles>
     <batches>1</batches>
-    <source strength="1.0">
+    <source particle="neutron" strength="1.0" type="independent">
       <space type="point">
         <parameters>0 0 0</parameters>
       </space>
diff --git a/tests/regression_tests/multipole/inputs_true.dat b/tests/regression_tests/multipole/inputs_true.dat
index 5c905afb9..7bea66930 100644
--- a/tests/regression_tests/multipole/inputs_true.dat
+++ b/tests/regression_tests/multipole/inputs_true.dat
@@ -37,7 +37,7 @@
     <particles>1000</particles>
     <batches>5</batches>
     <inactive>0</inactive>
-    <source strength="1.0">
+    <source particle="neutron" strength="1.0" type="independent">
       <space type="box">
         <parameters>-1 -1 -1 1 1 1</parameters>
       </space>
diff --git a/tests/regression_tests/multipole/test.py b/tests/regression_tests/multipole/test.py
index 4c4353c84..2f7369a9d 100644
--- a/tests/regression_tests/multipole/test.py
+++ b/tests/regression_tests/multipole/test.py
@@ -53,7 +53,7 @@ def make_model():
     model.settings.batches = 5
     model.settings.inactive = 0
     model.settings.particles = 1000
-    model.settings.source = openmc.Source(space=openmc.stats.Box(
+    model.settings.source = openmc.IndependentSource(space=openmc.stats.Box(
         [-1, -1, -1], [1, 1, 1]))
     model.settings.temperature = {'tolerance': 1000, 'multipole': True}
 
diff --git a/tests/regression_tests/ncrystal/inputs_true.dat b/tests/regression_tests/ncrystal/inputs_true.dat
index be2336cf0..ecbc3c54f 100644
--- a/tests/regression_tests/ncrystal/inputs_true.dat
+++ b/tests/regression_tests/ncrystal/inputs_true.dat
@@ -16,7 +16,7 @@
     <run_mode>fixed source</run_mode>
     <particles>100000</particles>
     <batches>10</batches>
-    <source strength="1.0">
+    <source particle="neutron" strength="1.0" type="independent">
       <space type="point">
         <parameters>0 0 -20</parameters>
       </space>
diff --git a/tests/regression_tests/ncrystal/test.py b/tests/regression_tests/ncrystal/test.py
index cb6421b03..03994e0d3 100644
--- a/tests/regression_tests/ncrystal/test.py
+++ b/tests/regression_tests/ncrystal/test.py
@@ -33,7 +33,7 @@ def pencil_beam_model(cfg, E0, N):
 
     # Source definition
 
-    source = openmc.Source()
+    source = openmc.IndependentSource()
     source.space = openmc.stats.Point((0, 0, -20))
     source.angle = openmc.stats.Monodirectional(reference_uvw=(0, 0, 1))
     source.energy = openmc.stats.Discrete([E0], [1.0])
diff --git a/tests/regression_tests/periodic/inputs_true.dat b/tests/regression_tests/periodic/inputs_true.dat
index 9d50c2b72..65e1b5ce3 100644
--- a/tests/regression_tests/periodic/inputs_true.dat
+++ b/tests/regression_tests/periodic/inputs_true.dat
@@ -28,7 +28,7 @@
     <particles>1000</particles>
     <batches>4</batches>
     <inactive>0</inactive>
-    <source strength="1.0">
+    <source particle="neutron" strength="1.0" type="independent">
       <space type="box">
         <parameters>0 0 0 5 5 0</parameters>
       </space>
diff --git a/tests/regression_tests/periodic/test.py b/tests/regression_tests/periodic/test.py
index 51a70a6aa..73fe8a83e 100644
--- a/tests/regression_tests/periodic/test.py
+++ b/tests/regression_tests/periodic/test.py
@@ -42,7 +42,7 @@ def box_model():
     model.settings.particles = 1000
     model.settings.batches = 4
     model.settings.inactive = 0
-    model.settings.source = openmc.Source(space=openmc.stats.Box(
+    model.settings.source = openmc.IndependentSource(space=openmc.stats.Box(
         (0, 0, 0), (5, 5, 0))
     )
     return model
diff --git a/tests/regression_tests/periodic_6fold/inputs_true.dat b/tests/regression_tests/periodic_6fold/inputs_true.dat
index 795ce818f..f7f413d09 100644
--- a/tests/regression_tests/periodic_6fold/inputs_true.dat
+++ b/tests/regression_tests/periodic_6fold/inputs_true.dat
@@ -25,7 +25,7 @@
     <particles>1000</particles>
     <batches>4</batches>
     <inactive>0</inactive>
-    <source strength="1.0">
+    <source particle="neutron" strength="1.0" type="independent">
       <space type="box">
         <parameters>0 0 0 5 5 0</parameters>
       </space>
diff --git a/tests/regression_tests/periodic_6fold/test.py b/tests/regression_tests/periodic_6fold/test.py
index 69712eb5a..272c65df5 100644
--- a/tests/regression_tests/periodic_6fold/test.py
+++ b/tests/regression_tests/periodic_6fold/test.py
@@ -46,7 +46,7 @@ def model():
     model.settings.particles = 1000
     model.settings.batches = 4
     model.settings.inactive = 0
-    model.settings.source = openmc.Source(space=openmc.stats.Box(
+    model.settings.source = openmc.IndependentSource(space=openmc.stats.Box(
         (0, 0, 0), (5, 5, 0))
     )
     return model
diff --git a/tests/regression_tests/photon_production/inputs_true.dat b/tests/regression_tests/photon_production/inputs_true.dat
index 109b54c67..ee6cb8862 100644
--- a/tests/regression_tests/photon_production/inputs_true.dat
+++ b/tests/regression_tests/photon_production/inputs_true.dat
@@ -19,7 +19,7 @@
     <run_mode>fixed source</run_mode>
     <particles>10000</particles>
     <batches>1</batches>
-    <source strength="1.0">
+    <source particle="neutron" strength="1.0" type="independent">
       <space type="point">
         <parameters>0 0 0</parameters>
       </space>
diff --git a/tests/regression_tests/photon_production/test.py b/tests/regression_tests/photon_production/test.py
index 107b53bbb..150448a12 100644
--- a/tests/regression_tests/photon_production/test.py
+++ b/tests/regression_tests/photon_production/test.py
@@ -27,7 +27,7 @@ def model():
     inner_cyl_right.fill = mat
     model.geometry = openmc.Geometry([inner_cyl_left, inner_cyl_right, outer_cyl])
 
-    source = openmc.Source()
+    source = openmc.IndependentSource()
     source.space = openmc.stats.Point((0, 0, 0))
     source.angle = openmc.stats.Monodirectional()
     source.energy = openmc.stats.Discrete([14.0e6], [1.0])
diff --git a/tests/regression_tests/photon_production_fission/inputs_true.dat b/tests/regression_tests/photon_production_fission/inputs_true.dat
index 6a102cfdc..fa379b39e 100644
--- a/tests/regression_tests/photon_production_fission/inputs_true.dat
+++ b/tests/regression_tests/photon_production_fission/inputs_true.dat
@@ -15,7 +15,7 @@
     <particles>1000</particles>
     <batches>5</batches>
     <inactive>2</inactive>
-    <source strength="1.0">
+    <source particle="neutron" strength="1.0" type="independent">
       <space type="point">
         <parameters>0 0 0</parameters>
       </space>
diff --git a/tests/regression_tests/photon_production_fission/test.py b/tests/regression_tests/photon_production_fission/test.py
index 595d3c2d6..96665b308 100644
--- a/tests/regression_tests/photon_production_fission/test.py
+++ b/tests/regression_tests/photon_production_fission/test.py
@@ -20,7 +20,7 @@ def model():
     model.settings.batches = 5
     model.settings.inactive = 2
     model.settings.photon_transport = True
-    model.settings.source = openmc.Source(space=openmc.stats.Point((0, 0, 0)))
+    model.settings.source = openmc.IndependentSource(space=openmc.stats.Point((0, 0, 0)))
 
     particle_filter = openmc.ParticleFilter(['neutron', 'photon'])
     tally_tracklength = openmc.Tally()
diff --git a/tests/regression_tests/photon_source/inputs_true.dat b/tests/regression_tests/photon_source/inputs_true.dat
index 33ace2c70..3d2e05243 100644
--- a/tests/regression_tests/photon_source/inputs_true.dat
+++ b/tests/regression_tests/photon_source/inputs_true.dat
@@ -17,7 +17,7 @@
     <run_mode>fixed source</run_mode>
     <particles>10000</particles>
     <batches>1</batches>
-    <source particle="photon" strength="1.0">
+    <source particle="photon" strength="1.0" type="independent">
       <space type="point">
         <parameters>0 0 0</parameters>
       </space>
diff --git a/tests/regression_tests/photon_source/test.py b/tests/regression_tests/photon_source/test.py
index d4b4a69fd..c2eb1476d 100644
--- a/tests/regression_tests/photon_source/test.py
+++ b/tests/regression_tests/photon_source/test.py
@@ -21,7 +21,7 @@ class SourceTestHarness(PyAPITestHarness):
         inside_sphere.fill = mat
         self._model.geometry = openmc.Geometry([inside_sphere])
 
-        source = openmc.Source()
+        source = openmc.IndependentSource()
         source.space = openmc.stats.Point((0, 0, 0))
         source.angle = openmc.stats.Isotropic()
         source.energy = openmc.stats.Discrete([10.0e6], [1.0])
diff --git a/tests/regression_tests/resonance_scattering/inputs_true.dat b/tests/regression_tests/resonance_scattering/inputs_true.dat
index 6ab82ba24..dba4535c2 100644
--- a/tests/regression_tests/resonance_scattering/inputs_true.dat
+++ b/tests/regression_tests/resonance_scattering/inputs_true.dat
@@ -18,7 +18,7 @@
     <particles>1000</particles>
     <batches>10</batches>
     <inactive>5</inactive>
-    <source strength="1.0">
+    <source particle="neutron" strength="1.0" type="independent">
       <space type="box">
         <parameters>-4 -4 -4 4 4 4</parameters>
       </space>
diff --git a/tests/regression_tests/resonance_scattering/test.py b/tests/regression_tests/resonance_scattering/test.py
index d9f76fac5..24629b12b 100644
--- a/tests/regression_tests/resonance_scattering/test.py
+++ b/tests/regression_tests/resonance_scattering/test.py
@@ -35,7 +35,7 @@ class ResonanceScatteringTestHarness(PyAPITestHarness):
         settings.batches = 10
         settings.inactive = 5
         settings.particles = 1000
-        settings.source = openmc.source.Source(
+        settings.source = openmc.IndependentSource(
              space=openmc.stats.Box([-4, -4, -4], [4, 4, 4]))
         settings.resonance_scattering = res_scat_settings
         self._model.settings = settings
diff --git a/tests/regression_tests/salphabeta/inputs_true.dat b/tests/regression_tests/salphabeta/inputs_true.dat
index 508624b75..ef0e843c2 100644
--- a/tests/regression_tests/salphabeta/inputs_true.dat
+++ b/tests/regression_tests/salphabeta/inputs_true.dat
@@ -51,7 +51,7 @@
     <particles>400</particles>
     <batches>5</batches>
     <inactive>0</inactive>
-    <source strength="1.0">
+    <source particle="neutron" strength="1.0" type="independent">
       <space type="box">
         <parameters>-4 -4 -4 4 4 4</parameters>
       </space>
diff --git a/tests/regression_tests/salphabeta/test.py b/tests/regression_tests/salphabeta/test.py
index fd0486118..11bf3bc84 100644
--- a/tests/regression_tests/salphabeta/test.py
+++ b/tests/regression_tests/salphabeta/test.py
@@ -67,7 +67,7 @@ def make_model():
     model.settings.batches = 5
     model.settings.inactive = 0
     model.settings.particles = 400
-    model.settings.source = openmc.Source(space=openmc.stats.Box(
+    model.settings.source = openmc.IndependentSource(space=openmc.stats.Box(
         [-4, -4, -4], [4, 4, 4]))
 
     return model
diff --git a/tests/regression_tests/source/inputs_true.dat b/tests/regression_tests/source/inputs_true.dat
index 460be7077..c1a616dd1 100644
--- a/tests/regression_tests/source/inputs_true.dat
+++ b/tests/regression_tests/source/inputs_true.dat
@@ -15,7 +15,7 @@
     <particles>1000</particles>
     <batches>10</batches>
     <inactive>5</inactive>
-    <source strength="0.3">
+    <source particle="neutron" strength="0.3" type="independent">
       <space type="cartesian">
         <x parameters="-3.0 3.0" type="uniform"/>
         <y type="discrete">
@@ -33,14 +33,14 @@
       </angle>
       <energy parameters="1289500.0" type="maxwell"/>
     </source>
-    <source strength="0.1">
+    <source particle="neutron" strength="0.1" type="independent">
       <space type="box">
         <parameters>-4.0 -4.0 -4.0 4.0 4.0 4.0</parameters>
       </space>
       <angle reference_uvw="0.0 1.0 0.0" type="monodirectional"/>
       <energy parameters="988000.0 2.249e-06" type="watt"/>
     </source>
-    <source strength="0.1">
+    <source particle="neutron" strength="0.1" type="independent">
       <space type="point">
         <parameters>1.2 -2.3 0.781</parameters>
       </space>
@@ -49,7 +49,7 @@
         <parameters>1.0 1.3894954943731377 1.93069772888325 2.6826957952797255 3.72759372031494 5.17947467923121 7.196856730011519 10.0 13.894954943731374 19.306977288832496 26.826957952797247 37.2759372031494 51.7947467923121 71.96856730011518 100.0 138.94954943731375 193.06977288832496 268.26957952797244 372.7593720314938 517.9474679231207 719.6856730011514 1000.0 1389.4954943731375 1930.6977288832495 2682.6957952797247 3727.593720314938 5179.474679231207 7196.856730011514 10000.0 13894.95494373136 19306.977288832495 26826.95795279722 37275.93720314938 51794.74679231213 71968.56730011514 100000.0 138949.5494373136 193069.77288832495 268269.5795279722 372759.3720314938 517947.4679231202 719685.6730011514 1000000.0 1389495.494373136 1930697.7288832497 2682695.7952797217 3727593.720314938 5179474.679231202 7196856.730011513 10000000.0 0.0 2.9086439299358713e-08 5.80533561806147e-08 8.67817193689187e-08 1.1515347785771536e-07 1.4305204600565115e-07 1.7036278261198208e-07 1.9697346200185813e-07 2.227747351856934e-07 2.4766057919761985e-07 2.715287327665956e-07 2.9428111652990295e-07 3.1582423606228735e-07 3.360695660646056e-07 3.549339141332686e-07 3.723397626156721e-07 3.882155871468592e-07 4.024961505584776e-07 4.151227709522976e-07 4.260435628367196e-07 4.3521365033538783e-07 4.4259535159179273e-07 4.4815833361210174e-07 4.5187973690993757e-07 4.5374426944091084e-07 4.5374426944091084e-07 4.5187973690993757e-07 4.4815833361210174e-07 4.4259535159179273e-07 4.352136503353879e-07 4.2604356283671966e-07 4.1512277095229767e-07 4.0249615055847764e-07 3.8821558714685926e-07 3.723397626156722e-07 3.5493391413326864e-07 3.360695660646057e-07 3.158242360622874e-07 2.942811165299031e-07 2.715287327665957e-07 2.4766057919762e-07 2.2277473518569352e-07 1.9697346200185819e-07 1.7036278261198226e-07 1.4305204600565126e-07 1.1515347785771556e-07 8.678171936891881e-08 5.805335618061493e-08 2.9086439299358858e-08 5.559621115282002e-23</parameters>
       </energy>
     </source>
-    <source strength="0.1">
+    <source particle="neutron" strength="0.1" type="independent">
       <space origin="1.0 1.0 0.0" type="spherical">
         <r parameters="2.0 3.0" type="uniform"/>
         <cos_theta type="discrete">
@@ -62,7 +62,7 @@
         <parameters>1.0 1.3894954943731377 1.93069772888325 2.6826957952797255 3.72759372031494 5.17947467923121 7.196856730011519 10.0 13.894954943731374 19.306977288832496 26.826957952797247 37.2759372031494 51.7947467923121 71.96856730011518 100.0 138.94954943731375 193.06977288832496 268.26957952797244 372.7593720314938 517.9474679231207 719.6856730011514 1000.0 1389.4954943731375 1930.6977288832495 2682.6957952797247 3727.593720314938 5179.474679231207 7196.856730011514 10000.0 13894.95494373136 19306.977288832495 26826.95795279722 37275.93720314938 51794.74679231213 71968.56730011514 100000.0 138949.5494373136 193069.77288832495 268269.5795279722 372759.3720314938 517947.4679231202 719685.6730011514 1000000.0 1389495.494373136 1930697.7288832497 2682695.7952797217 3727593.720314938 5179474.679231202 7196856.730011513 10000000.0 0.0 2.9086439299358713e-08 5.80533561806147e-08 8.67817193689187e-08 1.1515347785771536e-07 1.4305204600565115e-07 1.7036278261198208e-07 1.9697346200185813e-07 2.227747351856934e-07 2.4766057919761985e-07 2.715287327665956e-07 2.9428111652990295e-07 3.1582423606228735e-07 3.360695660646056e-07 3.549339141332686e-07 3.723397626156721e-07 3.882155871468592e-07 4.024961505584776e-07 4.151227709522976e-07 4.260435628367196e-07 4.3521365033538783e-07 4.4259535159179273e-07 4.4815833361210174e-07 4.5187973690993757e-07 4.5374426944091084e-07 4.5374426944091084e-07 4.5187973690993757e-07 4.4815833361210174e-07 4.4259535159179273e-07 4.352136503353879e-07 4.2604356283671966e-07 4.1512277095229767e-07 4.0249615055847764e-07 3.8821558714685926e-07 3.723397626156722e-07 3.5493391413326864e-07 3.360695660646057e-07 3.158242360622874e-07 2.942811165299031e-07 2.715287327665957e-07 2.4766057919762e-07 2.2277473518569352e-07 1.9697346200185819e-07 1.7036278261198226e-07 1.4305204600565126e-07 1.1515347785771556e-07 8.678171936891881e-08 5.805335618061493e-08 2.9086439299358858e-08 5.559621115282002e-23</parameters>
       </energy>
     </source>
-    <source strength="0.1">
+    <source particle="neutron" strength="0.1" type="independent">
       <space origin="1.0 1.0 0.0" type="cylindrical">
         <r parameters="2.0 3.0" type="uniform"/>
         <phi parameters="0.0 6.283185307179586" type="uniform"/>
@@ -75,7 +75,7 @@
         <parameters>1.0 1.3894954943731377 1.93069772888325 2.6826957952797255 3.72759372031494 5.17947467923121 7.196856730011519 10.0 13.894954943731374 19.306977288832496 26.826957952797247 37.2759372031494 51.7947467923121 71.96856730011518 100.0 138.94954943731375 193.06977288832496 268.26957952797244 372.7593720314938 517.9474679231207 719.6856730011514 1000.0 1389.4954943731375 1930.6977288832495 2682.6957952797247 3727.593720314938 5179.474679231207 7196.856730011514 10000.0 13894.95494373136 19306.977288832495 26826.95795279722 37275.93720314938 51794.74679231213 71968.56730011514 100000.0 138949.5494373136 193069.77288832495 268269.5795279722 372759.3720314938 517947.4679231202 719685.6730011514 1000000.0 1389495.494373136 1930697.7288832497 2682695.7952797217 3727593.720314938 5179474.679231202 7196856.730011513 10000000.0 0.0 2.9086439299358713e-08 5.80533561806147e-08 8.67817193689187e-08 1.1515347785771536e-07 1.4305204600565115e-07 1.7036278261198208e-07 1.9697346200185813e-07 2.227747351856934e-07 2.4766057919761985e-07 2.715287327665956e-07 2.9428111652990295e-07 3.1582423606228735e-07 3.360695660646056e-07 3.549339141332686e-07 3.723397626156721e-07 3.882155871468592e-07 4.024961505584776e-07 4.151227709522976e-07 4.260435628367196e-07 4.3521365033538783e-07 4.4259535159179273e-07 4.4815833361210174e-07 4.5187973690993757e-07 4.5374426944091084e-07 4.5374426944091084e-07 4.5187973690993757e-07 4.4815833361210174e-07 4.4259535159179273e-07 4.352136503353879e-07 4.2604356283671966e-07 4.1512277095229767e-07 4.0249615055847764e-07 3.8821558714685926e-07 3.723397626156722e-07 3.5493391413326864e-07 3.360695660646057e-07 3.158242360622874e-07 2.942811165299031e-07 2.715287327665957e-07 2.4766057919762e-07 2.2277473518569352e-07 1.9697346200185819e-07 1.7036278261198226e-07 1.4305204600565126e-07 1.1515347785771556e-07 8.678171936891881e-08 5.805335618061493e-08 2.9086439299358858e-08 5.559621115282002e-23</parameters>
       </energy>
     </source>
-    <source strength="0.1">
+    <source particle="neutron" strength="0.1" type="independent">
       <space origin="1.0 1.0 0.0" type="cylindrical">
         <r parameters="2.0 3.0" type="uniform"/>
         <phi parameters="0.0 6.283185307179586" type="uniform"/>
@@ -98,7 +98,7 @@
         </pair>
       </energy>
     </source>
-    <source strength="0.1">
+    <source particle="neutron" strength="0.1" type="independent">
       <space origin="1.0 1.0 0.0" type="spherical">
         <r parameters="2.0 3.0 2.0" type="powerlaw"/>
         <cos_theta type="discrete">
@@ -122,7 +122,7 @@
       </energy>
       <time parameters="2 5" type="uniform"/>
     </source>
-    <source strength="0.1">
+    <source particle="neutron" strength="0.1" type="independent">
       <space origin="1.0 1.0 0.0" type="cylindrical">
         <r parameters="2.0 3.0 1.0" type="powerlaw"/>
         <phi parameters="0.0 6.283185307179586" type="uniform"/>
diff --git a/tests/regression_tests/source/test.py b/tests/regression_tests/source/test.py
index af9e67baa..c1f4dccff 100644
--- a/tests/regression_tests/source/test.py
+++ b/tests/regression_tests/source/test.py
@@ -68,14 +68,14 @@ class SourceTestHarness(PyAPITestHarness):
 
         time1 = openmc.stats.Uniform(2, 5)
 
-        source1 = openmc.Source(spatial1, angle1, energy1, strength=0.3)
-        source2 = openmc.Source(spatial2, angle2, energy2, strength=0.1)
-        source3 = openmc.Source(spatial3, angle3, energy3, strength=0.1)
-        source4 = openmc.Source(spatial4, angle3, energy3, strength=0.1)
-        source5 = openmc.Source(spatial5, angle3, energy3, strength=0.1)
-        source6 = openmc.Source(spatial5, angle3, energy4, strength=0.1)
-        source7 = openmc.Source(spatial6, angle3, energy4, time1, strength=0.1)
-        source8 = openmc.Source(spatial7, angle3, energy4, time1, strength=0.1)
+        source1 = openmc.IndependentSource(spatial1, angle1, energy1, strength=0.3)
+        source2 = openmc.IndependentSource(spatial2, angle2, energy2, strength=0.1)
+        source3 = openmc.IndependentSource(spatial3, angle3, energy3, strength=0.1)
+        source4 = openmc.IndependentSource(spatial4, angle3, energy3, strength=0.1)
+        source5 = openmc.IndependentSource(spatial5, angle3, energy3, strength=0.1)
+        source6 = openmc.IndependentSource(spatial5, angle3, energy4, strength=0.1)
+        source7 = openmc.IndependentSource(spatial6, angle3, energy4, time1, strength=0.1)
+        source8 = openmc.IndependentSource(spatial7, angle3, energy4, time1, strength=0.1)
 
         settings = openmc.Settings()
         settings.batches = 10
diff --git a/tests/regression_tests/source_dlopen/inputs_true.dat b/tests/regression_tests/source_dlopen/inputs_true.dat
index 9d97164ad..28d1e06e2 100644
--- a/tests/regression_tests/source_dlopen/inputs_true.dat
+++ b/tests/regression_tests/source_dlopen/inputs_true.dat
@@ -18,6 +18,18 @@
     <particles>1000</particles>
     <batches>10</batches>
     <inactive>0</inactive>
-    <source library="build/libsource.so" strength="1.0"/>
+    <source library="build/libsource.so" strength="1.0" type="compiled"/>
   </settings>
-  </model>
+  <tallies>
+    <filter id="1" type="material">
+      <bins>1</bins>
+    </filter>
+    <filter id="2" type="energy">
+      <bins>0.0 2000.0 1000000.0</bins>
+    </filter>
+    <tally id="1">
+      <filters>1 2</filters>
+      <scores>flux</scores>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/source_dlopen/results_true.dat b/tests/regression_tests/source_dlopen/results_true.dat
index e69de29bb..1cddaf802 100644
--- a/tests/regression_tests/source_dlopen/results_true.dat
+++ b/tests/regression_tests/source_dlopen/results_true.dat
@@ -0,0 +1,5 @@
+tally 1:
+1.445856E+04
+2.090732E+07
+0.000000E+00
+0.000000E+00
diff --git a/tests/regression_tests/source_dlopen/source_sampling.cpp b/tests/regression_tests/source_dlopen/source_sampling.cpp
index 2c6de6d85..fc61ef1fd 100644
--- a/tests/regression_tests/source_dlopen/source_sampling.cpp
+++ b/tests/regression_tests/source_dlopen/source_sampling.cpp
@@ -5,8 +5,7 @@
 #include "openmc/random_lcg.h"
 #include "openmc/source.h"
 
-class CustomSource : public openmc::Source
-{
+class CustomSource : public openmc::Source {
   openmc::SourceSite sample(uint64_t* seed) const
   {
     openmc::SourceSite particle;
@@ -20,16 +19,17 @@ class CustomSource : public openmc::Source
     particle.r.z = 0.;
     // angle
     particle.u = {1.0, 0.0, 0.0};
-    particle.E = 14.08e6;
+    particle.E = 1.00e3;
     particle.delayed_group = 0;
     return particle;
   }
 };
 
-// A function to create a unique pointer to an instance of this class when generated
-// via a plugin call using dlopen/dlsym.
-// You must have external C linkage here otherwise dlopen will not find the file
-extern "C" std::unique_ptr<CustomSource> openmc_create_source(std::string parameters)
+// A function to create a unique pointer to an instance of this class when
+// generated via a plugin call using dlopen/dlsym. You must have external C
+// linkage here otherwise dlopen will not find the file
+extern "C" std::unique_ptr<CustomSource> openmc_create_source(
+  std::string parameters)
 {
   return std::make_unique<CustomSource>();
 }
diff --git a/tests/regression_tests/source_dlopen/test.py b/tests/regression_tests/source_dlopen/test.py
index 41690224d..efe942933 100644
--- a/tests/regression_tests/source_dlopen/test.py
+++ b/tests/regression_tests/source_dlopen/test.py
@@ -61,8 +61,18 @@ def model():
     model.settings.particles = 1000
     model.settings.run_mode = 'fixed source'
 
+    tally = openmc.Tally()
+    mat_filter = openmc.MaterialFilter([natural_lead])
+    # energy filter with two bins 0 eV - 1 keV and 1 keV - 1 MeV the second bin
+    # of the energy filter (last two entries in the tally results) should be
+    # zero
+    energy_filter = openmc.EnergyFilter([0.0, 2e3, 1e6])
+    tally.filters = [mat_filter, energy_filter]
+    tally.scores = ['flux']
+    model.tallies = openmc.Tallies([tally])
+
     # custom source from shared library
-    source = openmc.Source()
+    source = openmc.CompiledSource()
     source.library = 'build/libsource.so'
     model.settings.source = source
 
diff --git a/tests/regression_tests/source_parameterized_dlopen/inputs_true.dat b/tests/regression_tests/source_parameterized_dlopen/inputs_true.dat
index 689463593..6cf3473f9 100644
--- a/tests/regression_tests/source_parameterized_dlopen/inputs_true.dat
+++ b/tests/regression_tests/source_parameterized_dlopen/inputs_true.dat
@@ -18,6 +18,18 @@
     <particles>1000</particles>
     <batches>10</batches>
     <inactive>0</inactive>
-    <source library="build/libsource.so" parameters="1e3" strength="1.0"/>
+    <source library="build/libsource.so" parameters="1e3" strength="1.0" type="compiled"/>
   </settings>
-  </model>
+  <tallies>
+    <filter id="1" type="material">
+      <bins>1</bins>
+    </filter>
+    <filter id="2" type="energy">
+      <bins>0.0 2000.0 1000000.0</bins>
+    </filter>
+    <tally id="1">
+      <filters>1 2</filters>
+      <scores>flux</scores>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/source_parameterized_dlopen/results_true.dat b/tests/regression_tests/source_parameterized_dlopen/results_true.dat
index e69de29bb..1cddaf802 100644
--- a/tests/regression_tests/source_parameterized_dlopen/results_true.dat
+++ b/tests/regression_tests/source_parameterized_dlopen/results_true.dat
@@ -0,0 +1,5 @@
+tally 1:
+1.445856E+04
+2.090732E+07
+0.000000E+00
+0.000000E+00
diff --git a/tests/regression_tests/source_parameterized_dlopen/test.py b/tests/regression_tests/source_parameterized_dlopen/test.py
index c613cde4b..c7c5d06b1 100644
--- a/tests/regression_tests/source_parameterized_dlopen/test.py
+++ b/tests/regression_tests/source_parameterized_dlopen/test.py
@@ -61,8 +61,17 @@ def model():
     model.settings.particles = 1000
     model.settings.run_mode = 'fixed source'
 
+    tally = openmc.Tally()
+    mat_filter = openmc.MaterialFilter([natural_lead])
+    # energy filter with two bins 0 eV - 1 keV and 1 keV - 1 MeV
+    # the second bin shouldn't have any results
+    energy_filter = openmc.EnergyFilter([0.0, 2e3, 1e6])
+    tally.filters = [mat_filter, energy_filter]
+    tally.scores = ['flux']
+    model.tallies = openmc.Tallies([tally])
+
     # custom source from shared library
-    source = openmc.Source()
+    source = openmc.CompiledSource()
     source.library = 'build/libsource.so'
     source.parameters = '1e3'
     model.settings.source = source
diff --git a/tests/regression_tests/surface_source/inputs_true_write.dat b/tests/regression_tests/surface_source/inputs_true_write.dat
index 4747fcaf4..5c85de631 100644
--- a/tests/regression_tests/surface_source/inputs_true_write.dat
+++ b/tests/regression_tests/surface_source/inputs_true_write.dat
@@ -16,7 +16,7 @@
     <run_mode>fixed source</run_mode>
     <particles>1000</particles>
     <batches>10</batches>
-    <source strength="1.0">
+    <source particle="neutron" strength="1.0" type="independent">
       <space type="point">
         <parameters>0 0 0</parameters>
       </space>
diff --git a/tests/regression_tests/surface_source/test.py b/tests/regression_tests/surface_source/test.py
index dc60cfd3c..1647266f6 100644
--- a/tests/regression_tests/surface_source/test.py
+++ b/tests/regression_tests/surface_source/test.py
@@ -44,7 +44,7 @@ def model(request):
 
     if surf_source_op == 'write':
         point = openmc.stats.Point((0, 0, 0))
-        pt_src = openmc.Source(space=point)
+        pt_src = openmc.IndependentSource(space=point)
         openmc_model.settings.source = pt_src
 
         openmc_model.settings.surf_source_write = {'surface_ids': [1],
diff --git a/tests/regression_tests/surface_tally/inputs_true.dat b/tests/regression_tests/surface_tally/inputs_true.dat
index 4be5d4e77..dc65e2a15 100644
--- a/tests/regression_tests/surface_tally/inputs_true.dat
+++ b/tests/regression_tests/surface_tally/inputs_true.dat
@@ -29,7 +29,7 @@
     <particles>1000</particles>
     <batches>10</batches>
     <inactive>0</inactive>
-    <source strength="1.0">
+    <source particle="neutron" strength="1.0" type="independent">
       <space type="fission">
         <parameters>-0.62992 -0.62992 -1 0.62992 0.62992 1</parameters>
       </space>
diff --git a/tests/regression_tests/surface_tally/test.py b/tests/regression_tests/surface_tally/test.py
index 001fe6448..1224ebbb9 100644
--- a/tests/regression_tests/surface_tally/test.py
+++ b/tests/regression_tests/surface_tally/test.py
@@ -74,7 +74,7 @@ class SurfaceTallyTestHarness(PyAPITestHarness):
         bounds = [-0.62992, -0.62992, -1, 0.62992, 0.62992, 1]
         uniform_dist = openmc.stats.Box(bounds[:3], bounds[3:],\
              only_fissionable=True)
-        settings_file.source = openmc.source.Source(space=uniform_dist)
+        settings_file.source = openmc.IndependentSource(space=uniform_dist)
         self._model.settings = settings_file
 
         # Tallies file
diff --git a/tests/regression_tests/tallies/inputs_true.dat b/tests/regression_tests/tallies/inputs_true.dat
index 8d2e50af8..2ce36c5df 100644
--- a/tests/regression_tests/tallies/inputs_true.dat
+++ b/tests/regression_tests/tallies/inputs_true.dat
@@ -300,7 +300,7 @@
     <particles>400</particles>
     <batches>5</batches>
     <inactive>0</inactive>
-    <source strength="1.0">
+    <source particle="neutron" strength="1.0" type="independent">
       <space type="box">
         <parameters>-160 -160 -183 160 160 183</parameters>
       </space>
diff --git a/tests/regression_tests/tallies/test.py b/tests/regression_tests/tallies/test.py
index 6b4baabce..d20067ed3 100644
--- a/tests/regression_tests/tallies/test.py
+++ b/tests/regression_tests/tallies/test.py
@@ -13,7 +13,7 @@ def test_tallies():
     model.settings.batches = 5
     model.settings.inactive = 0
     model.settings.particles = 400
-    model.settings.source = openmc.Source(space=openmc.stats.Box(
+    model.settings.source = openmc.IndependentSource(space=openmc.stats.Box(
         [-160, -160, -183], [160, 160, 183]))
 
     azimuthal_bins = (-3.14159, -1.8850, -0.6283, 0.6283, 1.8850, 3.14159)
diff --git a/tests/regression_tests/tally_slice_merge/inputs_true.dat b/tests/regression_tests/tally_slice_merge/inputs_true.dat
index 5dff76a68..356962f8e 100644
--- a/tests/regression_tests/tally_slice_merge/inputs_true.dat
+++ b/tests/regression_tests/tally_slice_merge/inputs_true.dat
@@ -300,7 +300,7 @@
     <particles>100</particles>
     <batches>10</batches>
     <inactive>5</inactive>
-    <source strength="1.0">
+    <source particle="neutron" strength="1.0" type="independent">
       <space type="box">
         <parameters>-160 -160 -183 160 160 183</parameters>
       </space>
diff --git a/tests/regression_tests/torus/large_major/inputs_true.dat b/tests/regression_tests/torus/large_major/inputs_true.dat
index 44a67b8aa..fa7deb29a 100644
--- a/tests/regression_tests/torus/large_major/inputs_true.dat
+++ b/tests/regression_tests/torus/large_major/inputs_true.dat
@@ -22,7 +22,7 @@
     <run_mode>fixed source</run_mode>
     <particles>1000</particles>
     <batches>10</batches>
-    <source strength="1.0">
+    <source particle="neutron" strength="1.0" type="independent">
       <space type="point">
         <parameters>-1000.0 0 0</parameters>
       </space>
diff --git a/tests/regression_tests/torus/large_major/test.py b/tests/regression_tests/torus/large_major/test.py
index 256716f4e..1ce1ab2ca 100644
--- a/tests/regression_tests/torus/large_major/test.py
+++ b/tests/regression_tests/torus/large_major/test.py
@@ -28,7 +28,7 @@ def model():
     model.settings.run_mode ='fixed source'
     model.settings.particles = 1000
     model.settings.batches = 10
-    model.settings.source = openmc.Source(space=openmc.stats.Point((-R, 0, 0,)))
+    model.settings.source = openmc.IndependentSource(space=openmc.stats.Point((-R, 0, 0,)))
 
     tally = openmc.Tally()
     tally.scores = ['flux']
diff --git a/tests/regression_tests/triso/inputs_true.dat b/tests/regression_tests/triso/inputs_true.dat
index 606f05f14..37f37af78 100644
--- a/tests/regression_tests/triso/inputs_true.dat
+++ b/tests/regression_tests/triso/inputs_true.dat
@@ -433,7 +433,7 @@
     <particles>100</particles>
     <batches>4</batches>
     <inactive>0</inactive>
-    <source strength="1.0">
+    <source particle="neutron" strength="1.0" type="independent">
       <space type="point">
         <parameters>0.0 0.0 0.0</parameters>
       </space>
diff --git a/tests/regression_tests/triso/test.py b/tests/regression_tests/triso/test.py
index 06ae04492..3fa5e3c60 100644
--- a/tests/regression_tests/triso/test.py
+++ b/tests/regression_tests/triso/test.py
@@ -81,7 +81,7 @@ class TRISOTestHarness(PyAPITestHarness):
         settings.batches = 4
         settings.inactive = 0
         settings.particles = 100
-        settings.source = openmc.Source(space=openmc.stats.Point())
+        settings.source = openmc.IndependentSource(space=openmc.stats.Point())
         self._model.settings = settings
 
         self._model.materials = openmc.Materials([fuel, porous_carbon, ipyc,
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true.dat b/tests/regression_tests/unstructured_mesh/inputs_true.dat
index 55fdf825b..07486d3e0 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true.dat
@@ -46,7 +46,7 @@
     <run_mode>fixed source</run_mode>
     <particles>1000</particles>
     <batches>10</batches>
-    <source strength="1.0">
+    <source particle="neutron" strength="1.0" type="independent">
       <space origin="0.0 0.0 0.0" type="spherical">
         <r parameters="0.0 0.0" type="uniform"/>
         <cos_theta type="discrete">
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true0.dat b/tests/regression_tests/unstructured_mesh/inputs_true0.dat
index 45e15c597..c6b28d890 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true0.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true0.dat
@@ -46,7 +46,7 @@
     <run_mode>fixed source</run_mode>
     <particles>1000</particles>
     <batches>10</batches>
-    <source strength="1.0">
+    <source particle="neutron" strength="1.0" type="independent">
       <space origin="0.0 0.0 0.0" type="spherical">
         <r parameters="0.0 0.0" type="uniform"/>
         <cos_theta type="discrete">
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true1.dat b/tests/regression_tests/unstructured_mesh/inputs_true1.dat
index d47985ceb..40183c89b 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true1.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true1.dat
@@ -46,7 +46,7 @@
     <run_mode>fixed source</run_mode>
     <particles>1000</particles>
     <batches>10</batches>
-    <source strength="1.0">
+    <source particle="neutron" strength="1.0" type="independent">
       <space origin="0.0 0.0 0.0" type="spherical">
         <r parameters="0.0 0.0" type="uniform"/>
         <cos_theta type="discrete">
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true10.dat b/tests/regression_tests/unstructured_mesh/inputs_true10.dat
index 943ef2dc8..ebc5548f5 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true10.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true10.dat
@@ -46,7 +46,7 @@
     <run_mode>fixed source</run_mode>
     <particles>1000</particles>
     <batches>10</batches>
-    <source strength="1.0">
+    <source particle="neutron" strength="1.0" type="independent">
       <space origin="0.0 0.0 0.0" type="spherical">
         <r parameters="0.0 0.0" type="uniform"/>
         <cos_theta type="discrete">
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true11.dat b/tests/regression_tests/unstructured_mesh/inputs_true11.dat
index d0888b4b8..e30a5ccfc 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true11.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true11.dat
@@ -46,7 +46,7 @@
     <run_mode>fixed source</run_mode>
     <particles>1000</particles>
     <batches>10</batches>
-    <source strength="1.0">
+    <source particle="neutron" strength="1.0" type="independent">
       <space origin="0.0 0.0 0.0" type="spherical">
         <r parameters="0.0 0.0" type="uniform"/>
         <cos_theta type="discrete">
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true12.dat b/tests/regression_tests/unstructured_mesh/inputs_true12.dat
index b431b412e..a60b70eab 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true12.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true12.dat
@@ -46,7 +46,7 @@
     <run_mode>fixed source</run_mode>
     <particles>1000</particles>
     <batches>10</batches>
-    <source strength="1.0">
+    <source particle="neutron" strength="1.0" type="independent">
       <space origin="0.0 0.0 0.0" type="spherical">
         <r parameters="0.0 0.0" type="uniform"/>
         <cos_theta type="discrete">
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true13.dat b/tests/regression_tests/unstructured_mesh/inputs_true13.dat
index f53e733a8..1b1aa19c3 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true13.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true13.dat
@@ -46,7 +46,7 @@
     <run_mode>fixed source</run_mode>
     <particles>1000</particles>
     <batches>10</batches>
-    <source strength="1.0">
+    <source particle="neutron" strength="1.0" type="independent">
       <space origin="0.0 0.0 0.0" type="spherical">
         <r parameters="0.0 0.0" type="uniform"/>
         <cos_theta type="discrete">
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true14.dat b/tests/regression_tests/unstructured_mesh/inputs_true14.dat
index 05bdf3ae9..d07504b9d 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true14.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true14.dat
@@ -46,7 +46,7 @@
     <run_mode>fixed source</run_mode>
     <particles>1000</particles>
     <batches>10</batches>
-    <source strength="1.0">
+    <source particle="neutron" strength="1.0" type="independent">
       <space origin="0.0 0.0 0.0" type="spherical">
         <r parameters="0.0 0.0" type="uniform"/>
         <cos_theta type="discrete">
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true15.dat b/tests/regression_tests/unstructured_mesh/inputs_true15.dat
index 67c8af427..8cabbb38d 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true15.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true15.dat
@@ -46,7 +46,7 @@
     <run_mode>fixed source</run_mode>
     <particles>1000</particles>
     <batches>10</batches>
-    <source strength="1.0">
+    <source particle="neutron" strength="1.0" type="independent">
       <space origin="0.0 0.0 0.0" type="spherical">
         <r parameters="0.0 0.0" type="uniform"/>
         <cos_theta type="discrete">
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true2.dat b/tests/regression_tests/unstructured_mesh/inputs_true2.dat
index 78ff40199..3521ac7b8 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true2.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true2.dat
@@ -46,7 +46,7 @@
     <run_mode>fixed source</run_mode>
     <particles>1000</particles>
     <batches>10</batches>
-    <source strength="1.0">
+    <source particle="neutron" strength="1.0" type="independent">
       <space origin="0.0 0.0 0.0" type="spherical">
         <r parameters="0.0 0.0" type="uniform"/>
         <cos_theta type="discrete">
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true3.dat b/tests/regression_tests/unstructured_mesh/inputs_true3.dat
index fe5515493..a376b401d 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true3.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true3.dat
@@ -46,7 +46,7 @@
     <run_mode>fixed source</run_mode>
     <particles>1000</particles>
     <batches>10</batches>
-    <source strength="1.0">
+    <source particle="neutron" strength="1.0" type="independent">
       <space origin="0.0 0.0 0.0" type="spherical">
         <r parameters="0.0 0.0" type="uniform"/>
         <cos_theta type="discrete">
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true8.dat b/tests/regression_tests/unstructured_mesh/inputs_true8.dat
index 1e3b6cb83..5f14aa691 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true8.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true8.dat
@@ -46,7 +46,7 @@
     <run_mode>fixed source</run_mode>
     <particles>1000</particles>
     <batches>10</batches>
-    <source strength="1.0">
+    <source particle="neutron" strength="1.0" type="independent">
       <space origin="0.0 0.0 0.0" type="spherical">
         <r parameters="0.0 0.0" type="uniform"/>
         <cos_theta type="discrete">
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true9.dat b/tests/regression_tests/unstructured_mesh/inputs_true9.dat
index cb35eb186..92354c75c 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true9.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true9.dat
@@ -46,7 +46,7 @@
     <run_mode>fixed source</run_mode>
     <particles>1000</particles>
     <batches>10</batches>
-    <source strength="1.0">
+    <source particle="neutron" strength="1.0" type="independent">
       <space origin="0.0 0.0 0.0" type="spherical">
         <r parameters="0.0 0.0" type="uniform"/>
         <cos_theta type="discrete">
diff --git a/tests/regression_tests/unstructured_mesh/results_true.dat b/tests/regression_tests/unstructured_mesh/results_true.dat
deleted file mode 100644
index a6cad647c..000000000
--- a/tests/regression_tests/unstructured_mesh/results_true.dat
+++ /dev/null
@@ -1,4002 +0,0 @@
-tally 1:
-2.084815E-02
-1.082750E-04
-6.381818E-02
-9.439513E-04
-1.155641E-01
-2.178751E-03
-6.865908E-02
-7.355866E-04
-6.720820E-02
-7.310529E-04
-9.537792E-02
-1.957273E-03
-1.007744E-01
-1.573169E-03
-9.409645E-02
-1.796197E-03
-7.113698E-02
-8.980335E-04
-2.405019E-02
-9.740436E-05
-6.040159E-02
-7.575405E-04
-1.050048E-01
-2.108780E-03
-1.307457E-01
-2.170448E-03
-9.988454E-02
-1.092936E-03
-1.547083E-01
-3.688477E-03
-8.157999E-02
-1.133034E-03
-1.368232E-01
-2.667957E-03
-1.444186E-01
-3.197937E-03
-1.049316E-01
-1.560309E-03
-7.358073E-02
-1.128410E-03
-4.923095E-02
-6.563588E-04
-9.650255E-02
-1.789194E-03
-1.467738E-01
-3.481509E-03
-1.687123E-01
-5.414669E-03
-1.873036E-01
-4.734353E-03
-1.130087E-01
-1.673004E-03
-1.695614E-01
-3.526426E-03
-2.591168E-01
-8.231726E-03
-1.260152E-01
-2.175978E-03
-6.288783E-02
-9.200482E-04
-8.362502E-02
-1.022521E-03
-1.456806E-01
-3.692821E-03
-1.468696E-01
-3.582954E-03
-1.848215E-01
-5.256814E-03
-2.212472E-01
-5.760540E-03
-2.169211E-01
-5.946348E-03
-1.919182E-01
-7.063068E-03
-1.588234E-01
-3.825511E-03
-1.149909E-01
-1.553531E-03
-8.539019E-02
-1.065672E-03
-1.458566E-01
-4.113559E-03
-2.049774E-01
-6.265197E-03
-2.166930E-01
-7.983860E-03
-1.757110E-01
-5.024516E-03
-2.353728E-01
-7.533032E-03
-1.280409E-01
-2.167446E-03
-1.648011E-01
-3.936025E-03
-1.599354E-01
-3.980976E-03
-1.679361E-01
-3.415565E-03
-6.849881E-02
-7.535621E-04
-8.785791E-02
-1.103156E-03
-1.709025E-01
-4.264016E-03
-1.929437E-01
-4.281538E-03
-1.711011E-01
-3.912611E-03
-1.562002E-01
-3.325900E-03
-2.153821E-01
-5.848786E-03
-1.610373E-01
-3.861192E-03
-2.389629E-01
-8.850896E-03
-1.539258E-01
-3.811869E-03
-7.844092E-02
-1.163579E-03
-2.298462E-02
-1.395953E-04
-1.570027E-01
-4.835079E-03
-1.123717E-01
-1.760314E-03
-1.821249E-01
-6.802302E-03
-2.461041E-01
-7.613043E-03
-1.904001E-01
-4.047242E-03
-2.024477E-01
-5.524067E-03
-1.167011E-01
-2.057180E-03
-8.780067E-02
-1.080238E-03
-5.397296E-02
-5.850746E-04
-5.037871E-02
-5.560040E-04
-8.289459E-02
-1.268000E-03
-1.469691E-01
-4.146173E-03
-1.075211E-01
-1.625602E-03
-2.187908E-01
-6.919967E-03
-1.278025E-01
-2.170886E-03
-9.950167E-02
-1.901085E-03
-1.104557E-01
-2.248074E-03
-1.262151E-01
-2.266348E-03
-5.580544E-02
-9.620095E-04
-5.104294E-02
-5.268938E-04
-9.139465E-02
-1.164619E-03
-7.378130E-02
-1.282188E-03
-8.021098E-02
-7.940912E-04
-1.290978E-01
-2.526036E-03
-9.365705E-02
-1.199392E-03
-6.078377E-02
-5.442247E-04
-7.556566E-02
-8.976997E-04
-6.453527E-02
-1.173497E-03
-4.302808E-02
-5.599709E-04
-3.878239E-02
-5.236943E-04
-6.099196E-02
-1.095513E-03
-9.150086E-02
-1.624380E-03
-5.728387E-02
-5.659010E-04
-9.405318E-02
-1.606034E-03
-8.619696E-02
-1.337493E-03
-1.055978E-01
-2.086153E-03
-8.890472E-02
-1.315673E-03
-6.441028E-02
-7.477974E-04
-6.069918E-02
-6.588335E-04
-1.095224E-01
-2.675022E-03
-1.096306E-01
-2.122353E-03
-1.342330E-01
-3.619967E-03
-1.114064E-01
-1.730639E-03
-1.074251E-01
-1.586218E-03
-1.408447E-01
-2.389426E-03
-1.301662E-01
-3.969782E-03
-7.949674E-02
-1.090923E-03
-1.074998E-01
-3.217694E-03
-3.528248E-02
-2.289672E-04
-9.882155E-02
-1.696404E-03
-1.354820E-01
-2.909227E-03
-1.599751E-01
-2.957031E-03
-2.280781E-01
-6.081628E-03
-2.100930E-01
-5.450110E-03
-2.732779E-01
-8.620164E-03
-1.993743E-01
-5.362856E-03
-2.198036E-01
-5.376103E-03
-1.502824E-01
-2.786908E-03
-4.996523E-02
-5.024077E-04
-1.680575E-01
-3.208887E-03
-1.422788E-01
-4.002215E-03
-1.762382E-01
-4.255455E-03
-2.502725E-01
-7.152209E-03
-3.414429E-01
-1.411003E-02
-2.636737E-01
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diff --git a/tests/regression_tests/unstructured_mesh/test.py b/tests/regression_tests/unstructured_mesh/test.py
index 9ed36c69c..3c41ce78c 100644
--- a/tests/regression_tests/unstructured_mesh/test.py
+++ b/tests/regression_tests/unstructured_mesh/test.py
@@ -86,6 +86,18 @@ class UnstructuredMeshTest(PyAPITestHarness):
             data.shape = (data.size, 1)
         return np.sum(data, axis=1)
 
+    def update_results(self):
+        """Update results_true.dat and inputs_true.dat"""
+        try:
+            self._build_inputs()
+            inputs = self._get_inputs()
+            self._write_inputs(inputs)
+            self._overwrite_inputs()
+            self._run_openmc()
+            self._test_output_created()
+        finally:
+            self._cleanup()
+
     def _cleanup(self):
         super()._cleanup()
         output = glob.glob('tally*.vtk')
@@ -219,7 +231,7 @@ def model():
 
     space = openmc.stats.SphericalIndependent(r, cos_theta, phi)
     energy = openmc.stats.Discrete(x=[15.e+06], p=[1.0])
-    source = openmc.Source(space=space, energy=energy)
+    source = openmc.IndependentSource(space=space, energy=energy)
     settings.source = source
 
     model.settings = settings
diff --git a/tests/regression_tests/void/inputs_true.dat b/tests/regression_tests/void/inputs_true.dat
index 4e996c71d..7fee0779e 100644
--- a/tests/regression_tests/void/inputs_true.dat
+++ b/tests/regression_tests/void/inputs_true.dat
@@ -113,7 +113,7 @@
     <run_mode>fixed source</run_mode>
     <particles>1000</particles>
     <batches>3</batches>
-    <source strength="1.0">
+    <source particle="neutron" strength="1.0" type="independent">
       <space type="point">
         <parameters>0.0 0.0 0.0</parameters>
       </space>
diff --git a/tests/regression_tests/void/test.py b/tests/regression_tests/void/test.py
index af1e3887b..76c15eb39 100644
--- a/tests/regression_tests/void/test.py
+++ b/tests/regression_tests/void/test.py
@@ -23,7 +23,7 @@ def model():
     model.settings.run_mode = 'fixed source'
     model.settings.batches = 3
     model.settings.particles = 1000
-    model.settings.source = openmc.Source(space=openmc.stats.Point())
+    model.settings.source = openmc.IndependentSource(space=openmc.stats.Point())
 
     cell_filter = openmc.CellFilter(cells)
     tally = openmc.Tally()
diff --git a/tests/regression_tests/weightwindows/inputs_true.dat b/tests/regression_tests/weightwindows/inputs_true.dat
index 16966ccaf..c40f4b761 100644
--- a/tests/regression_tests/weightwindows/inputs_true.dat
+++ b/tests/regression_tests/weightwindows/inputs_true.dat
@@ -34,7 +34,7 @@
     <run_mode>fixed source</run_mode>
     <particles>200</particles>
     <batches>2</batches>
-    <source strength="1.0">
+    <source particle="neutron" strength="1.0" type="independent">
       <space type="point">
         <parameters>0.001 0.001 0.001</parameters>
       </space>
diff --git a/tests/regression_tests/weightwindows/test.py b/tests/regression_tests/weightwindows/test.py
index b7a0e4fe1..9ed855976 100644
--- a/tests/regression_tests/weightwindows/test.py
+++ b/tests/regression_tests/weightwindows/test.py
@@ -53,7 +53,7 @@ def model():
     space = Point((0.001, 0.001, 0.001))
     energy = Discrete([14E6], [1.0])
 
-    settings.source = openmc.Source(space=space, energy=energy)
+    settings.source = openmc.IndependentSource(space=space, energy=energy)
 
     # tally
     mesh = openmc.RegularMesh()
diff --git a/tests/unit_tests/conftest.py b/tests/unit_tests/conftest.py
index 51d1b19a3..6041d8982 100644
--- a/tests/unit_tests/conftest.py
+++ b/tests/unit_tests/conftest.py
@@ -48,7 +48,7 @@ def sphere_model():
     model.settings.particles = 100
     model.settings.batches = 10
     model.settings.run_mode = 'fixed source'
-    model.settings.source = openmc.Source(space=openmc.stats.Point())
+    model.settings.source = openmc.IndependentSource(space=openmc.stats.Point())
     return model
 
 
diff --git a/tests/unit_tests/dagmc/test.py b/tests/unit_tests/dagmc/test.py
index 072167e79..e84b5317e 100644
--- a/tests/unit_tests/dagmc/test.py
+++ b/tests/unit_tests/dagmc/test.py
@@ -27,7 +27,7 @@ def dagmc_model(request):
     model.settings.verbosity = 1
     source_box = openmc.stats.Box([ -4, -4, -4 ],
                                   [  4,  4,  4 ])
-    source = openmc.Source(space=source_box)
+    source = openmc.IndependentSource(space=source_box)
     model.settings.source = source
 
     # geometry
diff --git a/tests/unit_tests/mesh_to_vtk/test_vtk_dims.py b/tests/unit_tests/mesh_to_vtk/test_vtk_dims.py
index f7f5af8d0..4f23ef859 100644
--- a/tests/unit_tests/mesh_to_vtk/test_vtk_dims.py
+++ b/tests/unit_tests/mesh_to_vtk/test_vtk_dims.py
@@ -25,7 +25,7 @@ def model():
     settings.particles = 100
     settings.run_mode = 'fixed source'
 
-    source = openmc.Source()
+    source = openmc.IndependentSource()
     source.angle = openmc.stats.Isotropic()
     source.energy = openmc.stats.Discrete([1.0e6], [1.0])
     source.space = openmc.stats.Point((-0.01, -0.01, -0.01))
diff --git a/tests/unit_tests/test_complex_cell_bb.py b/tests/unit_tests/test_complex_cell_bb.py
index ad6491cca..8a94d9ddc 100644
--- a/tests/unit_tests/test_complex_cell_bb.py
+++ b/tests/unit_tests/test_complex_cell_bb.py
@@ -66,7 +66,7 @@ def complex_cell(run_in_tmpdir, mpi_intracomm):
     model.settings.batches = 10
     model.settings.inactive = 5
     model.settings.particles = 100
-    model.settings.source = openmc.Source(space=openmc.stats.Box(
+    model.settings.source = openmc.IndependentSource(space=openmc.stats.Box(
         [-10., -10., -1.], [10., 10., 1.]))
 
     model.settings.verbosity = 1
diff --git a/tests/unit_tests/test_cylindrical_mesh.py b/tests/unit_tests/test_cylindrical_mesh.py
index 4382b49ba..22b6ed816 100644
--- a/tests/unit_tests/test_cylindrical_mesh.py
+++ b/tests/unit_tests/test_cylindrical_mesh.py
@@ -23,7 +23,7 @@ def model():
 
     geom = openmc.Geometry([cell])
 
-    source = openmc.Source()
+    source = openmc.IndependentSource()
     source.space = openmc.stats.Point()
     source.energy = openmc.stats.Discrete([10000], [1.0])
 
@@ -155,7 +155,7 @@ def _check_void_cylindrical_tally(statepoint_filename):
         assert neutron_flux == pytest.approx(d_r)
 
 def test_void_geom_pnt_src(run_in_tmpdir, void_coincident_geom_model):
-    src = openmc.Source()
+    src = openmc.IndependentSource()
     src.space = openmc.stats.Point()
     src.angle = openmc.stats.PolarAzimuthal(mu=openmc.stats.Discrete([0.0], [1.0]))
     src.energy = openmc.stats.Discrete([14.06e6], [1])
@@ -180,7 +180,7 @@ def test_void_geom_boundary_src(run_in_tmpdir, void_coincident_geom_model):
 
     energy = openmc.stats.Discrete([14.06e6], [1])
     for val in radial_vals:
-        src = openmc.Source()
+        src = openmc.IndependentSource()
         src.energy = energy
 
         pnt = np.array([np.cos(val), np.sin(val), 0.0])
diff --git a/tests/unit_tests/test_data_thermal.py b/tests/unit_tests/test_data_thermal.py
index 61ae61b24..9f5a8cb40 100644
--- a/tests/unit_tests/test_data_thermal.py
+++ b/tests/unit_tests/test_data_thermal.py
@@ -363,7 +363,7 @@ def test_mixed_elastic(fake_mixed_elastic, run_in_tmpdir):
     model.settings.particles = 1000
     model.settings.batches = 10
     model.settings.run_mode = 'fixed source'
-    model.settings.source = openmc.Source(
+    model.settings.source = openmc.IndependentSource(
         energy=openmc.stats.Discrete([3.0], [1.0])  # 3 eV source
     )
     model.run()
diff --git a/tests/unit_tests/test_deplete_activation.py b/tests/unit_tests/test_deplete_activation.py
index 539f4d6bd..357e303cd 100644
--- a/tests/unit_tests/test_deplete_activation.py
+++ b/tests/unit_tests/test_deplete_activation.py
@@ -27,7 +27,7 @@ def model():
 
     model.settings.batches = 10
     model.settings.particles = 1000
-    model.settings.source = openmc.Source(
+    model.settings.source = openmc.IndependentSource(
         space=openmc.stats.Point(),
         energy=openmc.stats.Discrete([1.0e6], [1.0])
     )
diff --git a/tests/unit_tests/test_energy_cutoff.py b/tests/unit_tests/test_energy_cutoff.py
index fb82c579a..45333f2e1 100644
--- a/tests/unit_tests/test_energy_cutoff.py
+++ b/tests/unit_tests/test_energy_cutoff.py
@@ -17,7 +17,7 @@ def inf_medium_model(cutoff_energy, source_energy):
     model.geometry = openmc.Geometry([cell])
 
     model.settings.run_mode = 'fixed source'
-    model.settings.source = openmc.Source(
+    model.settings.source = openmc.IndependentSource(
         particle='photon',
         energy=openmc.stats.Discrete([source_energy], [1.0]),
     )
diff --git a/tests/unit_tests/test_filters.py b/tests/unit_tests/test_filters.py
index 0d34bfee3..ff064d5c2 100644
--- a/tests/unit_tests/test_filters.py
+++ b/tests/unit_tests/test_filters.py
@@ -17,7 +17,7 @@ def box_model():
     model.settings.particles = 100
     model.settings.batches = 10
     model.settings.inactive = 0
-    model.settings.source = openmc.Source(space=openmc.stats.Point())
+    model.settings.source = openmc.IndependentSource(space=openmc.stats.Point())
     return model
 
 
diff --git a/tests/unit_tests/test_geometry.py b/tests/unit_tests/test_geometry.py
index 3b2deee28..6fa34d26d 100644
--- a/tests/unit_tests/test_geometry.py
+++ b/tests/unit_tests/test_geometry.py
@@ -20,7 +20,7 @@ def test_volume(run_in_tmpdir, uo2):
     model.settings.particles = 100
     model.settings.batches = 10
     model.settings.run_mode = 'fixed source'
-    model.settings.source = openmc.Source(space=openmc.stats.Point())
+    model.settings.source = openmc.IndependentSource(space=openmc.stats.Point())
 
     ll, ur = model.geometry.bounding_box
     assert ll == pytest.approx((-outer.r, -outer.r, -outer.r))
diff --git a/tests/unit_tests/test_lib.py b/tests/unit_tests/test_lib.py
index b4dd9197b..5f74c7c23 100644
--- a/tests/unit_tests/test_lib.py
+++ b/tests/unit_tests/test_lib.py
@@ -66,7 +66,7 @@ def uo2_trigger_model():
     model.settings.batches = 10
     model.settings.inactive = 5
     model.settings.particles = 100
-    model.settings.source = openmc.Source(space=openmc.stats.Box(
+    model.settings.source = openmc.IndependentSource(space=openmc.stats.Box(
         [-0.5, -0.5, -1], [0.5, 0.5, 1], only_fissionable=True))
     model.settings.verbosity = 1
     model.settings.keff_trigger = {'type': 'std_dev', 'threshold': 0.001}
@@ -849,7 +849,7 @@ def test_sample_external_source(run_in_tmpdir, mpi_intracomm):
     cell = openmc.Cell(fill=mat, region=-sph)
     model = openmc.Model()
     model.geometry = openmc.Geometry([cell])
-    model.settings.source = openmc.Source(
+    model.settings.source = openmc.IndependentSource(
         space=openmc.stats.Box([-5., -5., -5.], [5., 5., 5.]),
         angle=openmc.stats.Monodirectional((0., 0., 1.)),
         energy=openmc.stats.Discrete([1.0e5], [1.0])
diff --git a/tests/unit_tests/test_model.py b/tests/unit_tests/test_model.py
index 6c483aeb9..f78f95637 100644
--- a/tests/unit_tests/test_model.py
+++ b/tests/unit_tests/test_model.py
@@ -59,7 +59,7 @@ def pin_model_attributes():
     bounds = [-0.62992, -0.62992, -1, 0.62992, 0.62992, 1]
     uniform_dist = openmc.stats.Box(
         bounds[:3], bounds[3:], only_fissionable=True)
-    settings.source = openmc.source.Source(space=uniform_dist)
+    settings.source = openmc.IndependentSource(space=uniform_dist)
 
     entropy_mesh = openmc.RegularMesh()
     entropy_mesh.lower_left = [-0.39218, -0.39218, -1.e50]
diff --git a/tests/unit_tests/test_settings.py b/tests/unit_tests/test_settings.py
index 15e86ca61..d75a50477 100644
--- a/tests/unit_tests/test_settings.py
+++ b/tests/unit_tests/test_settings.py
@@ -13,7 +13,7 @@ def test_export_to_xml(run_in_tmpdir):
     s.energy_mode = 'continuous-energy'
     s.max_order = 5
     s.max_tracks = 1234
-    s.source = openmc.Source(space=openmc.stats.Point())
+    s.source = openmc.IndependentSource(space=openmc.stats.Point())
     s.output = {'summary': True, 'tallies': False, 'path': 'here'}
     s.verbosity = 7
     s.sourcepoint = {'batches': [50, 150, 500, 1000], 'separate': True,
@@ -71,7 +71,7 @@ def test_export_to_xml(run_in_tmpdir):
     assert s.energy_mode == 'continuous-energy'
     assert s.max_order == 5
     assert s.max_tracks == 1234
-    assert isinstance(s.source[0], openmc.Source)
+    assert isinstance(s.source[0], openmc.IndependentSource)
     assert isinstance(s.source[0].space, openmc.stats.Point)
     assert s.output == {'summary': True, 'tallies': False, 'path': 'here'}
     assert s.verbosity == 7
diff --git a/tests/unit_tests/test_source.py b/tests/unit_tests/test_source.py
index 1e4766b45..4783ff8f1 100644
--- a/tests/unit_tests/test_source.py
+++ b/tests/unit_tests/test_source.py
@@ -4,6 +4,7 @@ import openmc
 import openmc.lib
 import openmc.stats
 import numpy as np
+import pytest
 from pytest import approx
 
 
@@ -12,7 +13,7 @@ def test_source():
     energy = openmc.stats.Discrete([1.0e6], [1.0])
     angle = openmc.stats.Isotropic()
 
-    src = openmc.Source(space=space, angle=angle, energy=energy)
+    src = openmc.IndependentSource(space=space, angle=angle, energy=energy)
     assert src.space == space
     assert src.angle == angle
     assert src.energy == energy
@@ -23,7 +24,7 @@ def test_source():
     assert elem.find('angle') is not None
     assert elem.find('energy') is not None
 
-    src = openmc.Source.from_xml_element(elem)
+    src = openmc.IndependentSource.from_xml_element(elem)
     assert isinstance(src.angle, openmc.stats.Isotropic)
     assert src.space.xyz == [0.0, 0.0, 0.0]
     assert src.energy.x == [1.0e6]
@@ -49,8 +50,8 @@ def test_spherical_uniform():
 
 def test_source_file():
     filename = 'source.h5'
-    src = openmc.Source(filename=filename)
-    assert src.file == filename
+    src = openmc.FileSource(path=filename)
+    assert src.path == filename
 
     elem = src.to_xml_element()
     assert 'strength' in elem.attrib
@@ -59,7 +60,7 @@ def test_source_file():
 
 def test_source_dlopen():
     library = './libsource.so'
-    src = openmc.Source(library=library)
+    src = openmc.CompiledSource(library=library)
     assert src.library == library
 
     elem = src.to_xml_element()
@@ -75,14 +76,14 @@ def test_source_xml_roundtrip():
         phi=openmc.stats.Uniform(0., 2*pi),
         reference_uvw=(0., 1., 0.)
     )
-    src = openmc.Source(
+    src = openmc.IndependentSource(
         space=space, angle=angle, energy=energy,
         particle='photon', strength=100.0
     )
     elem = src.to_xml_element()
 
     # Read from XML element and make sure data is preserved
-    new_src = openmc.Source.from_xml_element(elem)
+    new_src = openmc.IndependentSource.from_xml_element(elem)
     assert isinstance(new_src.space, openmc.stats.Box)
     np.testing.assert_allclose(new_src.space.lower_left, src.space.lower_left)
     np.testing.assert_allclose(new_src.space.upper_right, src.space.upper_right)
@@ -120,7 +121,7 @@ def test_rejection(run_in_tmpdir):
 
     # Set up a box source with rejection on the spherical cell
     space = openmc.stats.Box(*cell3.bounding_box)
-    model.settings.source = openmc.Source(space=space, domains=[cell1, cell2])
+    model.settings.source = openmc.IndependentSource(space=space, domains=[cell1, cell2])
 
     # Load up model via openmc.lib and sample source
     model.export_to_xml()
@@ -134,3 +135,25 @@ def test_rejection(run_in_tmpdir):
         assert p.r not in non_source_region
 
     openmc.lib.finalize()
+
+
+def test_exceptions():
+
+    with pytest.raises(AttributeError, match=r'Please use the FileSource class'):
+        s = openmc.IndependentSource()
+        s.file = 'my_file'
+
+    with pytest.raises(AttributeError, match=r'Please use the CompiledSource class'):
+        s = openmc.IndependentSource()
+        s.library = 'my_library'
+
+    with pytest.raises(AttributeError, match=r'Please use the CompiledSource class'):
+        s = openmc.IndependentSource()
+        s.parameters = 'my_params'
+
+    with pytest.warns(FutureWarning, match=r'in favor of \'IndependentSource\''):
+        s = openmc.Source()
+
+    with pytest.raises(AttributeError, match=r'has no attribute \'frisbee\''):
+        s = openmc.IndependentSource()
+        s.frisbee
\ No newline at end of file
diff --git a/tests/unit_tests/test_source_file.py b/tests/unit_tests/test_source_file.py
index 78115a1f6..ec10260ba 100644
--- a/tests/unit_tests/test_source_file.py
+++ b/tests/unit_tests/test_source_file.py
@@ -67,7 +67,7 @@ def test_wrong_source_attributes(run_in_tmpdir):
     settings =  openmc.Settings()
     settings.particles = 100
     settings.batches = 10
-    settings.source = openmc.Source(filename='animal_source.h5')
+    settings.source = openmc.FileSource(path='animal_source.h5')
     settings.export_to_xml()
 
     # When we run the model, it should error out with a message that includes
@@ -90,7 +90,7 @@ def test_source_file_transport(run_in_tmpdir):
     sph = openmc.Sphere(r=10.0, boundary_type='vacuum')
     cell = openmc.Cell(fill=al, region=-sph)
     model.geometry = openmc.Geometry([cell])
-    model.settings.source = openmc.Source(filename='source.h5')
+    model.settings.source = openmc.FileSource(path='source.h5')
     model.settings.particles = 10
     model.settings.batches = 3
     model.settings.run_mode = 'fixed source'
diff --git a/tests/unit_tests/test_source_mesh.py b/tests/unit_tests/test_source_mesh.py
index 596b22f9a..fd8b04148 100644
--- a/tests/unit_tests/test_source_mesh.py
+++ b/tests/unit_tests/test_source_mesh.py
@@ -94,7 +94,7 @@ def test_unstructured_mesh_sampling(model, request, test_cases):
     space = openmc.stats.MeshSpatial(uscd_mesh, strengths, vol_norm)
 
     energy = openmc.stats.Discrete(x=[15.e+06], p=[1.0])
-    source = openmc.Source(space=space, energy=energy)
+    source = openmc.IndependentSource(space=space, energy=energy)
     model.settings.source = source
 
     with cdtemp([mesh_filename]):
@@ -155,7 +155,7 @@ def test_strengths_size_failure(request, model):
     space = openmc.stats.MeshSpatial(uscd_mesh, strengths)
 
     energy = openmc.stats.Discrete(x=[15.e+06], p=[1.0])
-    source = openmc.Source(space=space, energy=energy)
+    source = openmc.IndependentSource(space=space, energy=energy)
     model.settings.source = source
 
     # skip the test if unstructured mesh is not available
@@ -188,7 +188,7 @@ def test_roundtrip(run_in_tmpdir, model, request):
 
     space_out = openmc.MeshSpatial(ucd_mesh)
     space_out.strengths = np.random.rand(n_cells*TETS_PER_VOXEL)
-    model.settings.source = openmc.Source(space=space_out)
+    model.settings.source = openmc.IndependentSource(space=space_out)
 
     # write out the model
     model.export_to_xml()
diff --git a/tests/unit_tests/test_spherical_mesh.py b/tests/unit_tests/test_spherical_mesh.py
index ac2781378..80f65bb42 100644
--- a/tests/unit_tests/test_spherical_mesh.py
+++ b/tests/unit_tests/test_spherical_mesh.py
@@ -23,7 +23,7 @@ def model():
 
     geom = openmc.Geometry([cell])
 
-    source = openmc.Source()
+    source = openmc.IndependentSource()
     source.space = openmc.stats.Point()
     source.energy = openmc.stats.Discrete([10000], [1.0])
 
@@ -163,7 +163,7 @@ def _check_void_spherical_tally(statepoint_filename):
 
 def test_void_geom_pnt_src(run_in_tmpdir, void_coincident_geom_model):
     # add isotropic point source
-    src = openmc.Source()
+    src = openmc.IndependentSource()
     src.space = openmc.stats.Point()
     src.energy = openmc.stats.Discrete([14.06e6], [1])
     void_coincident_geom_model.settings.source = src
@@ -190,7 +190,7 @@ def test_void_geom_boundary_src(run_in_tmpdir, void_coincident_geom_model):
 
     for phi, theta in zip(phi_vals, theta_vals):
 
-        src = openmc.Source()
+        src = openmc.IndependentSource()
         src.energy = energy
 
         pnt = np.array([np.sin(phi)*np.cos(theta), np.sin(phi)*np.sin(theta), np.cos(phi)])
diff --git a/tests/unit_tests/test_time_filter.py b/tests/unit_tests/test_time_filter.py
index 45fabc544..b57c80a97 100644
--- a/tests/unit_tests/test_time_filter.py
+++ b/tests/unit_tests/test_time_filter.py
@@ -59,7 +59,7 @@ def model(request):
     model.settings.particles = 1000
     model.settings.batches = 20
     particle = request.param
-    model.settings.source = openmc.Source(
+    model.settings.source = openmc.IndependentSource(
         space=openmc.stats.Point((x, 0., 0.)),
         angle=openmc.stats.Monodirectional([-1., 0., 0.]),
         energy=openmc.stats.Discrete([E], [1.0]),
@@ -100,7 +100,7 @@ def model_surf(request):
     model.settings.particles = 1000
     model.settings.batches = 20
     particle = request.param
-    model.settings.source = openmc.Source(
+    model.settings.source = openmc.IndependentSource(
         space=openmc.stats.Point((0., 0., 0.)),
         angle=openmc.stats.Monodirectional([1., 0., 0.]),
         energy=openmc.stats.Discrete([E], [1.0]),
@@ -165,7 +165,7 @@ def test_small_time_interval(run_in_tmpdir):
     model.settings.particles = 100
     model.settings.batches = 10
     model.settings.run_mode = 'fixed source'
-    model.settings.source = openmc.Source(
+    model.settings.source = openmc.IndependentSource(
         time=openmc.stats.Discrete([1.0e8], [1.0]),
         particle='photon'
     )
diff --git a/tests/unit_tests/test_torus.py b/tests/unit_tests/test_torus.py
index ba92860e7..8c413ffe0 100644
--- a/tests/unit_tests/test_torus.py
+++ b/tests/unit_tests/test_torus.py
@@ -17,7 +17,7 @@ def get_torus_keff(cls, R, r, center=(0, 0, 0)):
     outer_cell = openmc.Cell(region=+torus & -sphere)
     model.geometry = openmc.Geometry([torus_cell, outer_cell])
 
-    model.settings.source = openmc.Source(space=openmc.stats.Point(center))
+    model.settings.source = openmc.IndependentSource(space=openmc.stats.Point(center))
     model.settings.batches = 10
     model.settings.inactive = 5
     model.settings.particles = 1000
diff --git a/tests/unit_tests/test_tracks.py b/tests/unit_tests/test_tracks.py
index be75c6f88..3a0170155 100644
--- a/tests/unit_tests/test_tracks.py
+++ b/tests/unit_tests/test_tracks.py
@@ -48,7 +48,7 @@ def test_tracks(sphere_model, particle, run_in_tmpdir):
     sphere_model.settings.track = [(1, 1, 1), (1, 1, 10), (2, 1, 15)]
 
     # Set source particle
-    sphere_model.settings.source = openmc.Source(particle=particle)
+    sphere_model.settings.source = openmc.IndependentSource(particle=particle)
 
     # Run OpenMC to generate tracks.h5 file
     generate_track_file(sphere_model)
diff --git a/tests/unit_tests/test_urr_capture.py b/tests/unit_tests/test_urr_capture.py
index 745d62cef..34b518e9d 100644
--- a/tests/unit_tests/test_urr_capture.py
+++ b/tests/unit_tests/test_urr_capture.py
@@ -19,7 +19,7 @@ def th232_model():
     model.settings.batches = 10
     model.settings.run_mode = 'fixed source'
     energies = openmc.stats.Uniform(e_min, e_max)
-    model.settings.source = openmc.Source(energy=energies)
+    model.settings.source = openmc.IndependentSource(energy=energies)
 
     tally = openmc.Tally(name='rates')
     tally.filters = [openmc.EnergyFilter([e_min, e_max])]
diff --git a/tests/unit_tests/weightwindows/test.py b/tests/unit_tests/weightwindows/test.py
index dce75c740..f8db66820 100644
--- a/tests/unit_tests/weightwindows/test.py
+++ b/tests/unit_tests/weightwindows/test.py
@@ -99,7 +99,7 @@ def model():
     space = Point((0.001, 0.001, 0.001))
     energy = Discrete([14E6], [1.0])
 
-    settings.source = openmc.Source(space=space, energy=energy)
+    settings.source = openmc.IndependentSource(space=space, energy=energy)
 
     # tally
     mesh = openmc.RegularMesh()

From 2536cae11bb8fd1e15a990990deb095d4356e0f1 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Wed, 21 Jun 2023 13:07:15 +0100
Subject: [PATCH 1874/2654] allowing stepresult to save to a path (#2567)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/deplete/stepresult.py                | 15 ++++++++++++---
 tests/unit_tests/test_deplete_integrator.py |  6 ++++++
 2 files changed, 18 insertions(+), 3 deletions(-)

diff --git a/openmc/deplete/stepresult.py b/openmc/deplete/stepresult.py
index 042fa46a1..689627bbf 100644
--- a/openmc/deplete/stepresult.py
+++ b/openmc/deplete/stepresult.py
@@ -4,15 +4,17 @@ Contains capabilities for generating and saving results of a single depletion
 timestep.
 """
 
-from collections import OrderedDict
 import copy
 import warnings
+from collections import OrderedDict
+from pathlib import Path
 
 import h5py
 import numpy as np
 
 import openmc
 from openmc.mpi import comm, MPI
+from openmc.checkvalue import PathLike
 from .reaction_rates import ReactionRates
 
 VERSION_RESULTS = (1, 1)
@@ -495,7 +497,8 @@ class StepResult:
         return results
 
     @staticmethod
-    def save(op, x, op_results, t, source_rate, step_ind, proc_time=None):
+    def save(op, x, op_results, t, source_rate, step_ind, proc_time=None,
+             path: PathLike = "depletion_results.h5"):
         """Creates and writes depletion results to disk
 
         Parameters
@@ -517,6 +520,10 @@ class StepResult:
             be process-dependent and will be reduced across MPI
             processes.
 
+        path : PathLike
+            Path to file to write. Defaults to 'depletion_results.h5'.
+
+            .. versionadded:: 0.13.4
         """
         # Get indexing terms
         vol_dict, nuc_list, burn_list, full_burn_list = op.get_results_info()
@@ -547,7 +554,9 @@ class StepResult:
         if results.proc_time is not None:
             results.proc_time = comm.reduce(proc_time, op=MPI.SUM)
 
-        results.export_to_hdf5("depletion_results.h5", step_ind)
+        if not Path(path).is_file():
+            Path(path).parent.mkdir(parents=True, exist_ok=True)
+        results.export_to_hdf5(path, step_ind)
 
     def transfer_volumes(self, model):
         """Transfers volumes from depletion results to geometry
diff --git a/tests/unit_tests/test_deplete_integrator.py b/tests/unit_tests/test_deplete_integrator.py
index cb6374152..ba625a999 100644
--- a/tests/unit_tests/test_deplete_integrator.py
+++ b/tests/unit_tests/test_deplete_integrator.py
@@ -99,6 +99,12 @@ def test_results_save(run_in_tmpdir):
                   for k, rates in zip(eigvl1, rate1)]
     op_result2 = [OperatorResult(ufloat(*k), rates)
                   for k, rates in zip(eigvl2, rate2)]
+
+    # saves within a subdirectory
+    StepResult.save(op, x1, op_result1, t1, 0, 0, path='out/put/depletion.h5')
+    res = Results('out/put/depletion.h5')
+
+    # saves with default filename
     StepResult.save(op, x1, op_result1, t1, 0, 0)
     StepResult.save(op, x2, op_result2, t2, 0, 1)
 

From 8ce5c7366c5024c56c7d47e6ca8450357fca0eb0 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 21 Jun 2023 07:45:59 -0500
Subject: [PATCH 1875/2654] Remove initial dilute nuclides in depletion (#2568)

---
 docs/source/io_formats/depletion_results.rst  |    7 -
 openmc/deplete/abc.py                         |   24 +-
 openmc/deplete/coupled_operator.py            |   11 +-
 openmc/deplete/independent_operator.py        |   16 -
 openmc/deplete/openmc_operator.py             |   19 +-
 openmc/deplete/results.py                     |   15 -
 src/tallies/tally.cpp                         |    9 +-
 tests/regression_tests/__init__.py            |   24 +
 .../deplete_no_transport/test.py              |   64 +-
 .../test_reference_coupled_days.h5            |  Bin 36312 -> 36048 bytes
 .../test_reference_coupled_hours.h5           |  Bin 36312 -> 36048 bytes
 .../test_reference_coupled_minutes.h5         |  Bin 36312 -> 36048 bytes
 .../test_reference_coupled_months.h5          |  Bin 36312 -> 36048 bytes
 .../test_reference_fission_q.h5               |  Bin 36312 -> 36048 bytes
 .../test_reference_source_rate.h5             |  Bin 36312 -> 36048 bytes
 .../ref_depletion_with_feed.h5                |  Bin 37328 -> 37328 bytes
 .../ref_depletion_with_removal.h5             |  Bin 37328 -> 37328 bytes
 .../ref_depletion_with_transfer.h5            |  Bin 37328 -> 37328 bytes
 .../ref_no_depletion_only_feed.h5             |  Bin 37328 -> 37328 bytes
 .../ref_no_depletion_only_removal.h5          |  Bin 37328 -> 37328 bytes
 .../ref_no_depletion_with_transfer.h5         |  Bin 37328 -> 37328 bytes
 .../deplete_with_transfer_rates/test.py       |   24 +-
 .../last_step_reference_materials.xml         | 1288 ++++++++---------
 .../deplete_with_transport/test.py            |   20 +-
 .../deplete_with_transport/test_reference.h5  |  Bin 163736 -> 163736 bytes
 25 files changed, 708 insertions(+), 813 deletions(-)

diff --git a/docs/source/io_formats/depletion_results.rst b/docs/source/io_formats/depletion_results.rst
index 172c17ae6..7035fc9c9 100644
--- a/docs/source/io_formats/depletion_results.rst
+++ b/docs/source/io_formats/depletion_results.rst
@@ -47,10 +47,3 @@ The current version of the depletion results file format is 1.1.
 **/reactions/<name>/**
 
 :Attributes: - **index** (*int*) -- Index user in results for this reaction
-
-.. note::
-
-    The reaction rates for some isotopes not originally present may
-    be non-zero, but should be negligible compared to other atoms.
-    This can be controlled by changing the
-    :class:`openmc.deplete.Operator` ``dilute_initial`` attribute.
diff --git a/openmc/deplete/abc.py b/openmc/deplete/abc.py
index 802b3833f..e62cc2b5e 100644
--- a/openmc/deplete/abc.py
+++ b/openmc/deplete/abc.py
@@ -93,20 +93,11 @@ class TransportOperator(ABC):
     fission_q : dict, optional
         Dictionary of nuclides and their fission Q values [eV]. If not given,
         values will be pulled from the ``chain_file``.
-    dilute_initial : float, optional
-        Initial atom density [atoms/cm^3] to add for nuclides that are zero
-        in initial condition to ensure they exist in the decay chain.
-        Only done for nuclides with reaction rates.
-        Defaults to 1.0e3.
     prev_results : Results, optional
         Results from a previous depletion calculation.
 
     Attributes
     ----------
-    dilute_initial : float
-        Initial atom density [atoms/cm^3] to add for nuclides that are zero
-        in initial condition to ensure they exist in the decay chain.
-        Only done for nuclides with reaction rates.
     output_dir : pathlib.Path
         Path to output directory to save results.
     prev_res : Results or None
@@ -116,9 +107,7 @@ class TransportOperator(ABC):
         The depletion chain information necessary to form matrices and tallies.
 
     """
-    def __init__(self, chain_file, fission_q=None, dilute_initial=1.0e3,
-                 prev_results=None):
-        self.dilute_initial = dilute_initial
+    def __init__(self, chain_file, fission_q=None, prev_results=None):
         self.output_dir = '.'
 
         # Read depletion chain
@@ -129,17 +118,6 @@ class TransportOperator(ABC):
             check_type("previous results", prev_results, Results)
             self.prev_res = prev_results
 
-    @property
-    def dilute_initial(self):
-        """Initial atom density for nuclides with zero initial concentration"""
-        return self._dilute_initial
-
-    @dilute_initial.setter
-    def dilute_initial(self, value):
-        check_type("dilute_initial", value, Real)
-        check_greater_than("dilute_initial", value, 0.0, equality=True)
-        self._dilute_initial = value
-
     @abstractmethod
     def __call__(self, vec, source_rate):
         """Runs a simulation.
diff --git a/openmc/deplete/coupled_operator.py b/openmc/deplete/coupled_operator.py
index d8d4838a4..ab7314ac7 100644
--- a/openmc/deplete/coupled_operator.py
+++ b/openmc/deplete/coupled_operator.py
@@ -122,10 +122,6 @@ class CoupledOperator(OpenMCOperator):
         Dictionary of nuclides and their fission Q values [eV]. If not given,
         values will be pulled from the ``chain_file``. Only applicable
         if ``"normalization_mode" == "fission-q"``
-    dilute_initial : float, optional
-        Initial atom density [atoms/cm^3] to add for nuclides that are zero
-        in initial condition to ensure they exist in the decay chain.
-        Only done for nuclides with reaction rates.
     fission_yield_mode : {"constant", "cutoff", "average"}
         Key indicating what fission product yield scheme to use. The
         key determines what fission energy helper is used:
@@ -177,10 +173,6 @@ class CoupledOperator(OpenMCOperator):
         OpenMC geometry object
     settings : openmc.Settings
         OpenMC settings object
-    dilute_initial : float
-        Initial atom density [atoms/cm^3] to add for nuclides that
-        are zero in initial condition to ensure they exist in the decay
-        chain. Only done for nuclides with reaction rates.
     output_dir : pathlib.Path
         Path to output directory to save results.
     round_number : bool
@@ -215,7 +207,7 @@ class CoupledOperator(OpenMCOperator):
 
     def __init__(self, model, chain_file=None, prev_results=None,
                  diff_burnable_mats=False, normalization_mode="fission-q",
-                 fission_q=None, dilute_initial=1.0e3,
+                 fission_q=None,
                  fission_yield_mode="constant", fission_yield_opts=None,
                  reaction_rate_mode="direct", reaction_rate_opts=None,
                  reduce_chain=False, reduce_chain_level=None):
@@ -271,7 +263,6 @@ class CoupledOperator(OpenMCOperator):
             prev_results,
             diff_burnable_mats,
             fission_q,
-            dilute_initial,
             helper_kwargs,
             reduce_chain,
             reduce_chain_level)
diff --git a/openmc/deplete/independent_operator.py b/openmc/deplete/independent_operator.py
index 8d7882ac9..757278406 100644
--- a/openmc/deplete/independent_operator.py
+++ b/openmc/deplete/independent_operator.py
@@ -63,10 +63,6 @@ class IndependentOperator(OpenMCOperator):
         Dictionary of nuclides and their fission Q values [eV]. If not given,
         values will be pulled from the ``chain_file``. Only applicable
         if ``"normalization_mode" == "fission-q"``.
-    dilute_initial : float, optional
-        Initial atom density [atoms/cm^3] to add for nuclides that are zero
-        in initial condition to ensure they exist in the decay chain.
-        Only done for nuclides with reaction rates.
     reduce_chain : bool, optional
         If True, use :meth:`openmc.deplete.Chain.reduce` to reduce the
         depletion chain up to ``reduce_chain_level``.
@@ -86,10 +82,6 @@ class IndependentOperator(OpenMCOperator):
         All materials present in the model
     cross_sections : MicroXS
         Object containing one-group cross-sections in [cm^2].
-    dilute_initial : float
-        Initial atom density [atoms/cm^3] to add for nuclides that
-        are zero in initial condition to ensure they exist in the decay
-        chain. Only done for nuclides with reaction rates.
     output_dir : pathlib.Path
         Path to output directory to save results.
     round_number : bool
@@ -122,7 +114,6 @@ class IndependentOperator(OpenMCOperator):
                  keff=None,
                  normalization_mode='fission-q',
                  fission_q=None,
-                 dilute_initial=1.0e3,
                  prev_results=None,
                  reduce_chain=False,
                  reduce_chain_level=None,
@@ -148,7 +139,6 @@ class IndependentOperator(OpenMCOperator):
             chain_file,
             prev_results,
             fission_q=fission_q,
-            dilute_initial=dilute_initial,
             helper_kwargs=helper_kwargs,
             reduce_chain=reduce_chain,
             reduce_chain_level=reduce_chain_level)
@@ -161,7 +151,6 @@ class IndependentOperator(OpenMCOperator):
                       keff=None,
                       normalization_mode='fission-q',
                       fission_q=None,
-                      dilute_initial=1.0e3,
                       prev_results=None,
                       reduce_chain=False,
                       reduce_chain_level=None,
@@ -196,10 +185,6 @@ class IndependentOperator(OpenMCOperator):
             Dictionary of nuclides and their fission Q values [eV]. If not
             given, values will be pulled from the ``chain_file``. Only
             applicable if ``"normalization_mode" == "fission-q"``.
-        dilute_initial : float
-            Initial atom density [atoms/cm^3] to add for nuclides that
-            are zero in initial condition to ensure they exist in the decay
-            chain. Only done for nuclides with reaction rates.
         prev_results : Results, optional
             Results from a previous depletion calculation.
         reduce_chain : bool, optional
@@ -224,7 +209,6 @@ class IndependentOperator(OpenMCOperator):
                    keff=keff,
                    normalization_mode=normalization_mode,
                    fission_q=fission_q,
-                   dilute_initial=dilute_initial,
                    prev_results=prev_results,
                    reduce_chain=reduce_chain,
                    reduce_chain_level=reduce_chain_level,
diff --git a/openmc/deplete/openmc_operator.py b/openmc/deplete/openmc_operator.py
index 55a7d7246..f63828133 100644
--- a/openmc/deplete/openmc_operator.py
+++ b/openmc/deplete/openmc_operator.py
@@ -47,10 +47,6 @@ class OpenMCOperator(TransportOperator):
         Volumes are divided equally from the original material volume.
     fission_q : dict, optional
         Dictionary of nuclides and their fission Q values [eV].
-    dilute_initial : float, optional
-        Initial atom density [atoms/cm^3] to add for nuclides that are zero
-        in initial condition to ensure they exist in the decay chain.
-        Only done for nuclides with reaction rates.
     helper_kwargs : dict
         Keyword arguments for helper classes
     reduce_chain : bool, optional
@@ -68,10 +64,6 @@ class OpenMCOperator(TransportOperator):
     cross_sections : str or MicroXS
             Path to continuous energy cross section library, or object
             containing one-group cross-sections.
-    dilute_initial : float
-        Initial atom density [atoms/cm^3] to add for nuclides that
-        are zero in initial condition to ensure they exist in the decay
-        chain. Only done for nuclides with reaction rates.
     output_dir : pathlib.Path
         Path to output directory to save results.
     round_number : bool
@@ -105,7 +97,6 @@ class OpenMCOperator(TransportOperator):
             prev_results=None,
             diff_burnable_mats=False,
             fission_q=None,
-            dilute_initial=0.0,
             helper_kwargs=None,
             reduce_chain=False,
             reduce_chain_level=None):
@@ -119,7 +110,7 @@ class OpenMCOperator(TransportOperator):
                     "chain in openmc.config['chain_file']"
                 )
 
-        super().__init__(chain_file, fission_q, dilute_initial, prev_results)
+        super().__init__(chain_file, fission_q, prev_results)
         self.round_number = False
         self.materials = materials
         self.cross_sections = cross_sections
@@ -265,11 +256,6 @@ class OpenMCOperator(TransportOperator):
         """
         self.number = AtomNumber(local_mats, all_nuclides, volume, len(self.chain))
 
-        if self.dilute_initial != 0.0:
-            for nuc in self._burnable_nucs:
-                self.number.set_atom_density(
-                    np.s_[:], nuc, self.dilute_initial)
-
         # Now extract and store the number densities
         # From the geometry if no previous depletion results
         if prev_res is None:
@@ -433,8 +419,7 @@ class OpenMCOperator(TransportOperator):
         # for burning in which the number density is greater than zero.
         for nuc in self.number.nuclides:
             if nuc in self.nuclides_with_data:
-                if np.sum(self.number[:, nuc]) > 0.0:
-                    nuc_set.add(nuc)
+                nuc_set.add(nuc)
 
         # Communicate which nuclides have nonzeros to rank 0
         if comm.rank == 0:
diff --git a/openmc/deplete/results.py b/openmc/deplete/results.py
index 555a7ce37..9cc3b439a 100644
--- a/openmc/deplete/results.py
+++ b/openmc/deplete/results.py
@@ -103,13 +103,6 @@ class Results(list):
     ) -> Tuple[np.ndarray, np.ndarray]:
         """Get number of nuclides over time from a single material
 
-        .. note::
-            Initial values for some isotopes that do not appear in
-            initial concentrations may be non-zero, depending on the
-            value of the :attr:`openmc.deplete.CoupledOperator.dilute_initial`
-            attribute. The :class:`openmc.deplete.CoupledOperator` class adds
-            isotopes according to this setting, which can be set to zero.
-
         Parameters
         ----------
         mat : openmc.Material, str
@@ -172,14 +165,6 @@ class Results(list):
     ) -> Tuple[np.ndarray, np.ndarray]:
         """Get reaction rate in a single material/nuclide over time
 
-        .. note::
-
-            Initial values for some isotopes that do not appear in
-            initial concentrations may be non-zero, depending on the
-            value of :class:`openmc.deplete.CoupledOperator` ``dilute_initial``
-            The :class:`openmc.deplete.CoupledOperator` adds isotopes according
-            to this setting, which can be set to zero.
-
         Parameters
         ----------
         mat : openmc.Material, str
diff --git a/src/tallies/tally.cpp b/src/tallies/tally.cpp
index 9a7e52b95..c9c977ea9 100644
--- a/src/tallies/tally.cpp
+++ b/src/tallies/tally.cpp
@@ -1258,10 +1258,13 @@ extern "C" int openmc_tally_set_nuclides(
     } else {
       auto search = data::nuclide_map.find(word);
       if (search == data::nuclide_map.end()) {
-        set_errmsg("Nuclide \"" + word + "\" has not been loaded yet");
-        return OPENMC_E_DATA;
+        int err = openmc_load_nuclide(word.c_str(), nullptr, 0);
+        if (err < 0) {
+          set_errmsg(openmc_err_msg);
+          return OPENMC_E_DATA;
+        }
       }
-      nucs.push_back(search->second);
+      nucs.push_back(data::nuclide_map.at(word));
     }
   }
 
diff --git a/tests/regression_tests/__init__.py b/tests/regression_tests/__init__.py
index a887448c1..ba48fc01e 100644
--- a/tests/regression_tests/__init__.py
+++ b/tests/regression_tests/__init__.py
@@ -1,3 +1,5 @@
+import pytest
+
 # Test configuration options for regression tests
 config = {
     'event' : False,
@@ -8,3 +10,25 @@ config = {
     'update': False,
     'build_inputs': False
 }
+
+
+def assert_atoms_equal(res_ref, res_test, tol=1e-5):
+    for mat in res_test[0].index_mat:
+        for nuc in res_test[0].index_nuc:
+            _, y_test = res_test.get_atoms(mat, nuc)
+            _, y_ref = res_ref.get_atoms(mat, nuc)
+            assert y_test == pytest.approx(y_ref, rel=tol), \
+                f'Atoms not equal for material {mat}, nuclide {nuc}\n' \
+                f'y_ref={y_ref}\ny_test={y_test}'
+
+
+def assert_reaction_rates_equal(res_ref, res_test, tol=1e-5):
+    for reactions in res_test[0].rates:
+        for mat in reactions.index_mat:
+            for nuc in reactions.index_nuc:
+                for rx in reactions.index_rx:
+                    y_test = res_test.get_reaction_rate(mat, nuc, rx)[1]
+                    y_ref = res_ref.get_reaction_rate(mat, nuc, rx)[1]
+                    assert y_test == pytest.approx(y_ref, rel=tol), \
+                        f'Reaction rate not equal for material {mat}, nuclide '\
+                        f'{nuc}, {rx}\ny_ref={y_ref}\ny_test={y_test}'
diff --git a/tests/regression_tests/deplete_no_transport/test.py b/tests/regression_tests/deplete_no_transport/test.py
index a36541748..64769c0b0 100644
--- a/tests/regression_tests/deplete_no_transport/test.py
+++ b/tests/regression_tests/deplete_no_transport/test.py
@@ -1,6 +1,7 @@
 """ Transport-free depletion test suite """
 
 from pathlib import Path
+import shutil
 
 import numpy as np
 import pytest
@@ -8,6 +9,9 @@ import openmc
 import openmc.deplete
 from openmc.deplete import IndependentOperator, MicroXS
 
+from tests.regression_tests import config, assert_atoms_equal, \
+    assert_reaction_rates_equal
+
 
 @pytest.fixture(scope="module")
 def fuel():
@@ -82,6 +86,11 @@ def test_against_self(run_in_tmpdir,
         ref_path = 'test_reference_fission_q.h5'
     path_reference = Path(__file__).with_name(ref_path)
 
+    # If updating results, do so and return
+    if config['update']:
+        shutil.copyfile(str(path_test), str(path_reference))
+        return
+
     # Load the reference/test results
     res_test = openmc.deplete.Results(path_test)
     res_ref = openmc.deplete.Results(path_reference)
@@ -90,8 +99,8 @@ def test_against_self(run_in_tmpdir,
     _assert_same_mats(res_test, res_ref)
 
     tol = 1.0e-14
-    _assert_atoms_equal(res_test, res_ref, tol)
-    _assert_reaction_rates_equal(res_test, res_ref, tol)
+    assert_atoms_equal(res_test, res_ref, tol)
+    assert_reaction_rates_equal(res_test, res_ref, tol)
 
 
 @pytest.mark.parametrize("multiproc, dt, time_units, time_type, atom_tol, rx_tol ", [
@@ -130,6 +139,11 @@ def test_against_coupled(run_in_tmpdir,
     ref_path = f'test_reference_coupled_{time_type}.h5'
     path_reference = Path(__file__).with_name(ref_path)
 
+    # If updating results, do so and return
+    if config['update']:
+        shutil.copyfile(str(path_test), str(path_reference))
+        return
+
     # Load the reference/test results
     res_test = openmc.deplete.Results(path_test)
     res_ref = openmc.deplete.Results(path_reference)
@@ -137,8 +151,8 @@ def test_against_coupled(run_in_tmpdir,
     # Assert same mats
     _assert_same_mats(res_test, res_ref)
 
-    _assert_atoms_equal(res_test, res_ref, atom_tol)
-    _assert_reaction_rates_equal(res_test, res_ref, rx_tol)
+    assert_atoms_equal(res_test, res_ref, atom_tol)
+    assert_reaction_rates_equal(res_test, res_ref, rx_tol)
 
 
 def _create_operator(from_nuclides,
@@ -181,45 +195,3 @@ def _assert_same_mats(res_ref, res_test):
         assert nuc in res_ref[0].index_nuc, \
             f"Nuclide {nuc} not in old results."
 
-
-def _assert_atoms_equal(res_ref, res_test, tol):
-    for mat in res_test[0].index_mat:
-        for nuc in res_test[0].index_nuc:
-            _, y_test = res_test.get_atoms(mat, nuc)
-            _, y_old = res_ref.get_atoms(mat, nuc)
-
-            # Test each point
-            correct = True
-            for i, ref in enumerate(y_old):
-                if ref != y_test[i]:
-                    if ref != 0.0:
-                        correct = np.abs(y_test[i] - ref) / ref <= tol
-                    else:
-                        correct = False
-
-            assert correct, "Discrepancy in mat {} and nuc {}\n{}\n{}".format(
-                mat, nuc, y_old, y_test)
-
-
-def _assert_reaction_rates_equal(res_ref, res_test, tol):
-    for reactions in res_test[0].rates:
-        for mat in reactions.index_mat:
-            for nuc in reactions.index_nuc:
-                for rx in reactions.index_rx:
-                    y_test = res_test.get_reaction_rate(mat, nuc, rx)[1] / \
-                        res_test.get_atoms(mat, nuc)[1]
-                    y_old = res_ref.get_reaction_rate(mat, nuc, rx)[1] / \
-                        res_ref.get_atoms(mat, nuc)[1]
-
-                    # Test each point
-                    correct = True
-                    for i, ref in enumerate(y_old):
-                        if ref != y_test[i]:
-                            if ref != 0.0:
-                                correct = np.abs(y_test[i] - ref) / ref <= tol
-                            else:
-                                if y_test[i] != 0.0:
-                                    correct = False
-
-                    assert correct, "Discrepancy in mat {}, nuc {}, and rx {}\n{}\n{}".format(
-                        mat, nuc, rx, y_old, y_test)
diff --git a/tests/regression_tests/deplete_no_transport/test_reference_coupled_days.h5 b/tests/regression_tests/deplete_no_transport/test_reference_coupled_days.h5
index d97acffec6923460cacfe609b1122c57e5181ce9..5fdc656d97018b596147839415fa967031dc18e5 100644
GIT binary patch
delta 2299
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diff --git a/tests/regression_tests/deplete_no_transport/test_reference_coupled_hours.h5 b/tests/regression_tests/deplete_no_transport/test_reference_coupled_hours.h5
index 6d9bcc91ff7eff734feb83cf96e56f2b2d3e8819..65bfc19a91cc73512791a1adb2d1dfef8131c8a3 100644
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diff --git a/tests/regression_tests/deplete_no_transport/test_reference_coupled_minutes.h5 b/tests/regression_tests/deplete_no_transport/test_reference_coupled_minutes.h5
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diff --git a/tests/regression_tests/deplete_no_transport/test_reference_coupled_months.h5 b/tests/regression_tests/deplete_no_transport/test_reference_coupled_months.h5
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GIT binary patch
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diff --git a/tests/regression_tests/deplete_no_transport/test_reference_fission_q.h5 b/tests/regression_tests/deplete_no_transport/test_reference_fission_q.h5
index 4ae9d3660534b651edb9ee20529ff90a02888d20..9d32d89fe233fd05e736519766eb54fb9c5486d1 100644
GIT binary patch
delta 2235
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diff --git a/tests/regression_tests/deplete_no_transport/test_reference_source_rate.h5 b/tests/regression_tests/deplete_no_transport/test_reference_source_rate.h5
index 1572fbd765b9823ab98b9e6719df7f05242f6b9c..3f3b4aa2ac5c2040059adee2acda433177ff4464 100644
GIT binary patch
delta 1933
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delta 2155
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diff --git a/tests/regression_tests/deplete_with_transfer_rates/ref_depletion_with_feed.h5 b/tests/regression_tests/deplete_with_transfer_rates/ref_depletion_with_feed.h5
index cb8d49bfc65eb7dce6c4ab104320603d7ae4f3d6..ae1c7e42301e81c0fdff0778b280309960aca009 100644
GIT binary patch
delta 751
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delta 928
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diff --git a/tests/regression_tests/deplete_with_transfer_rates/ref_depletion_with_removal.h5 b/tests/regression_tests/deplete_with_transfer_rates/ref_depletion_with_removal.h5
index b20bbc645ef97c997d19515a82745e3cac3c1559..8b60044ad4970e7308d0c470c53382b9786ba745 100644
GIT binary patch
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delta 928
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diff --git a/tests/regression_tests/deplete_with_transfer_rates/ref_depletion_with_transfer.h5 b/tests/regression_tests/deplete_with_transfer_rates/ref_depletion_with_transfer.h5
index d428cdd7cc9a856b83f4b8517e1192c1336fcd06..11092aca6e1068573910661177b9f1aedd6aaf25 100644
GIT binary patch
delta 780
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delta 928
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diff --git a/tests/regression_tests/deplete_with_transfer_rates/ref_no_depletion_only_feed.h5 b/tests/regression_tests/deplete_with_transfer_rates/ref_no_depletion_only_feed.h5
index 95b7236f0c31b3589ced1dca1543951907b930fa..7194ca78a23ecaba8eda7b585e8342c1ccd5606d 100644
GIT binary patch
delta 104
zcmcbxnCZe|rVRpp6E7Hu%dD+fxla9}^A?j7JM+J`E`QTgjxM;`GI=4J{KgCEjFa#7
p^D}Q)FmrOEtNg?ZLgI>0<r|>NSu&86$Agq}Ox`<@p9QGJ9su9PFO>iQ

delta 334
zcmcbxnCZe|rVRpp^_9A-60-su9f+mbid~$0)h{~xoa?>)=Z~$+r9eN^imNRya~a<y
zZ?6w=Adwb8*D(1YQ~bmW_b1=&=dbtObHcu~RoIf7-Ob@c(=P7+?sX19fxR2^x~Die
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diff --git a/tests/regression_tests/deplete_with_transfer_rates/ref_no_depletion_only_removal.h5 b/tests/regression_tests/deplete_with_transfer_rates/ref_no_depletion_only_removal.h5
index 81c97c755abf982fe95517e5ba48f6fd296a4897..535f5d14387d0231f68133c19a6488c287d084ac 100644
GIT binary patch
delta 104
zcmcbxnCZe|rVRpp6E7Hu%dD+fxla9}^A?j7JM+J`E`QTgjxM;`GI=4J{KgCEjFa#7
p^D|Gdo;5kqRes_HA#p{h@(obsEE!13<3Y+fChwid&jQq94*<d+E{y;H

delta 334
zcmcbxnCZe|rVRpp^_9A-60-su9f+mbid~$0)h{~xoa?>)=Z~$+r9eN^imNRya~a<y
zZ?6w=Adwb8*D(1YQ~bmW_b1=&=dVw_dECCVRoIf7-Ob^H42MJNszirV&DU2u8s$1%
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diff --git a/tests/regression_tests/deplete_with_transfer_rates/ref_no_depletion_with_transfer.h5 b/tests/regression_tests/deplete_with_transfer_rates/ref_no_depletion_with_transfer.h5
index 407c2114e8ecd797d646dd5e57ff51e5e9c3b2c6..73f290aab629676059dc610bd7fa0045932cf656 100644
GIT binary patch
delta 104
zcmcbxnCZe|rVRpp6E7Hu%dD+fxla9}^A?j7JM+J`E`QTgjxM;`GI=4J{KgCEjFa#7
p^D{Hd$(WqzDnIdpkhmgL`39(RmJB52@gU_KllM;KX8~%l2LP+eEz1A^

delta 334
zcmcbxnCZe|rVRpp^_9A-60-su9f+mbid~$0)h{~xoa?>)=Z~$+r9eN^imNRya~a<y
zZ?6w=Adwb8*D(1YQ~bmW_b1=&=dVxTudy#}6}IGNcXRk4!{Ly+D$(I|^Yzt^M!61`
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fv!U)sqD8<SLJ|P+A?~{lbRWm$y%YIaKyCy8+Om@h

diff --git a/tests/regression_tests/deplete_with_transfer_rates/test.py b/tests/regression_tests/deplete_with_transfer_rates/test.py
index 7e20a7607..99f35a95b 100644
--- a/tests/regression_tests/deplete_with_transfer_rates/test.py
+++ b/tests/regression_tests/deplete_with_transfer_rates/test.py
@@ -1,6 +1,7 @@
 """ TransferRates depletion test suite """
 
 from pathlib import Path
+import shutil
 
 import numpy as np
 import pytest
@@ -8,6 +9,10 @@ import openmc
 import openmc.deplete
 from openmc.deplete import CoupledOperator
 
+from tests.regression_tests import config, assert_reaction_rates_equal, \
+    assert_atoms_equal
+
+
 @pytest.fixture
 def model():
     f = openmc.Material(name="f")
@@ -34,9 +39,9 @@ def model():
     geometry = openmc.Geometry([cell_f, cell_w])
 
     settings = openmc.Settings()
-    settings.particles = 100
+    settings.particles = 500
     settings.inactive = 0
-    settings.batches = 10
+    settings.batches = 2
 
     return openmc.Model(geometry, materials, settings)
 
@@ -66,15 +71,14 @@ def test_transfer_rates(run_in_tmpdir, model, rate, dest_mat, power, ref_result)
     path_test = op.output_dir / 'depletion_results.h5'
     path_reference = Path(__file__).with_name(f'ref_{ref_result}.h5')
 
+    # If updating results, do so and return
+    if config['update']:
+        shutil.copyfile(str(path_test), str(path_reference))
+        return
+
     # Load the reference/test results
     res_ref = openmc.deplete.Results(path_reference)
     res_test = openmc.deplete.Results(path_test)
 
-    for mat in res_test[0].rates[0].index_mat:
-        for nuc in res_test[0].rates[0].index_nuc:
-            for rx in res_test[0].rates[0].index_rx:
-                y_test = res_test.get_reaction_rate(mat, nuc, rx)[1] / \
-                    res_test.get_atoms(mat, nuc)[1]
-                y_ref = res_ref.get_reaction_rate(mat, nuc, rx)[1] / \
-                    res_ref.get_atoms(mat, nuc)[1]
-                assert y_test == pytest.approx(y_ref, abs=1e-5)
+    assert_atoms_equal(res_ref, res_test)
+    assert_reaction_rates_equal(res_ref, res_test)
diff --git a/tests/regression_tests/deplete_with_transport/last_step_reference_materials.xml b/tests/regression_tests/deplete_with_transport/last_step_reference_materials.xml
index fc0b87eb0..f61595dd9 100644
--- a/tests/regression_tests/deplete_with_transport/last_step_reference_materials.xml
+++ b/tests/regression_tests/deplete_with_transport/last_step_reference_materials.xml
@@ -4,1001 +4,993 @@
     <density units="sum"/>
     <nuclide ao="0.046295399999999994" name="O16"/>
     <nuclide ao="0.00011276839999999999" name="O17"/>
-    <nuclide ao="4.418048979824424e-07" name="Cs135"/>
-    <nuclide ao="7.25497932072497e-09" name="Gd156"/>
-    <nuclide ao="4.6150717323028846e-10" name="Gd157"/>
-    <nuclide ao="8.610759132296853e-09" name="I135"/>
-    <nuclide ao="1.0044759509631791e-05" name="U234"/>
-    <nuclide ao="0.0010213199681434208" name="U235"/>
-    <nuclide ao="0.022134492490418312" name="U238"/>
-    <nuclide ao="4.8988835309280406e-09" name="Xe135"/>
-    <nuclide ao="1.5016036273208697e-06" name="Xe136"/>
+    <nuclide ao="4.4180489845847837e-07" name="Cs135"/>
+    <nuclide ao="7.2549793284842195e-09" name="Gd156"/>
+    <nuclide ao="4.6150717465438587e-10" name="Gd157"/>
+    <nuclide ao="8.610759149890541e-09" name="I135"/>
+    <nuclide ao="1.00447595096247e-05" name="U234"/>
+    <nuclide ao="0.001021319968105753" name="U235"/>
+    <nuclide ao="0.022134492490415457" name="U238"/>
+    <nuclide ao="4.898883540853392e-09" name="Xe135"/>
+    <nuclide ao="1.5016036288896978e-06" name="Xe136"/>
   </material>
   <material depletable="true" id="2" temperature="293.6" volume="0.06674732823364922">
     <density units="sum"/>
     <nuclide ao="0.046295399999999994" name="O16"/>
     <nuclide ao="0.00011276839999999999" name="O17"/>
-    <nuclide ao="4.7109992148358017e-07" name="Cs135"/>
-    <nuclide ao="7.042063886012849e-09" name="Gd156"/>
-    <nuclide ao="6.027071902372695e-10" name="Gd157"/>
-    <nuclide ao="7.95412959144086e-09" name="I135"/>
-    <nuclide ao="1.0044351820092838e-05" name="U234"/>
-    <nuclide ao="0.001024086327318598" name="U235"/>
-    <nuclide ao="0.0221342327478446" name="U238"/>
-    <nuclide ao="4.9730371223377224e-09" name="Xe135"/>
-    <nuclide ao="1.3283930207935904e-06" name="Xe136"/>
+    <nuclide ao="4.7109992046231964e-07" name="Cs135"/>
+    <nuclide ao="7.042063874024541e-09" name="Gd156"/>
+    <nuclide ao="6.027071887061818e-10" name="Gd157"/>
+    <nuclide ao="7.95412956238769e-09" name="I135"/>
+    <nuclide ao="1.0044351820098593e-05" name="U234"/>
+    <nuclide ao="0.00102408632740032" name="U235"/>
+    <nuclide ao="0.02213423274784442" name="U238"/>
+    <nuclide ao="4.973037106302515e-09" name="Xe135"/>
+    <nuclide ao="1.3283930174680673e-06" name="Xe136"/>
   </material>
   <material depletable="true" id="3" temperature="293.6" volume="0.06674732823364922">
     <density units="sum"/>
     <nuclide ao="0.046295399999999994" name="O16"/>
     <nuclide ao="0.00011276839999999999" name="O17"/>
-    <nuclide ao="4.519688238646543e-07" name="Cs135"/>
-    <nuclide ao="7.390520655992046e-09" name="Gd156"/>
-    <nuclide ao="6.113962449652282e-10" name="Gd157"/>
-    <nuclide ao="7.33942627716833e-09" name="I135"/>
-    <nuclide ao="1.0044458911828105e-05" name="U234"/>
-    <nuclide ao="0.0010213846057514214" name="U235"/>
-    <nuclide ao="0.022134283218172325" name="U238"/>
-    <nuclide ao="5.052047258832601e-09" name="Xe135"/>
-    <nuclide ao="1.4925022858546866e-06" name="Xe136"/>
+    <nuclide ao="4.5196882278137964e-07" name="Cs135"/>
+    <nuclide ao="7.390520641508283e-09" name="Gd156"/>
+    <nuclide ao="6.1139624340991e-10" name="Gd157"/>
+    <nuclide ao="7.339426249127244e-09" name="I135"/>
+    <nuclide ao="1.0044458911815349e-05" name="U234"/>
+    <nuclide ao="0.0010213846058415266" name="U235"/>
+    <nuclide ao="0.02213428321817386" name="U238"/>
+    <nuclide ao="5.052047240880656e-09" name="Xe135"/>
+    <nuclide ao="1.492502282115296e-06" name="Xe136"/>
   </material>
   <material depletable="true" id="4" temperature="293.6" volume="0.06674732823364922">
     <density units="sum"/>
     <nuclide ao="0.046295399999999994" name="O16"/>
     <nuclide ao="0.00011276839999999999" name="O17"/>
-    <nuclide ao="4.6103855622977077e-07" name="Cs135"/>
-    <nuclide ao="7.2542350965307454e-09" name="Gd156"/>
-    <nuclide ao="4.694384498726491e-10" name="Gd157"/>
-    <nuclide ao="8.999632513597842e-09" name="I135"/>
-    <nuclide ao="1.0044557857513163e-05" name="U234"/>
-    <nuclide ao="0.0010213889405602502" name="U235"/>
-    <nuclide ao="0.022134477440113057" name="U238"/>
-    <nuclide ao="5.198618333967504e-09" name="Xe135"/>
-    <nuclide ao="1.4782292624287545e-06" name="Xe136"/>
+    <nuclide ao="4.610385562797368e-07" name="Cs135"/>
+    <nuclide ao="7.2542350999039044e-09" name="Gd156"/>
+    <nuclide ao="4.694384504892065e-10" name="Gd157"/>
+    <nuclide ao="8.99963252548058e-09" name="I135"/>
+    <nuclide ao="1.0044557857503748e-05" name="U234"/>
+    <nuclide ao="0.0010213889405514816" name="U235"/>
+    <nuclide ao="0.022134477440110358" name="U238"/>
+    <nuclide ao="5.198618342135029e-09" name="Xe135"/>
+    <nuclide ao="1.4782292628750817e-06" name="Xe136"/>
   </material>
   <material depletable="true" id="5" temperature="293.6" volume="0.06674732823364922">
     <density units="sum"/>
     <nuclide ao="0.0464035" name="O16"/>
-    <nuclide ao="4.606890661382998e-07" name="Cs135"/>
-    <nuclide ao="4.453011839512314e-09" name="Gd156"/>
-    <nuclide ao="6.452882105106179e-05" name="Gd157"/>
-    <nuclide ao="5.350905357185787e-09" name="I135"/>
-    <nuclide ao="9.99407627854616e-22" name="U234"/>
-    <nuclide ao="0.0010186933910475504" name="U235"/>
-    <nuclide ao="0.021691769738241762" name="U238"/>
-    <nuclide ao="6.032753974421699e-09" name="Xe135"/>
-    <nuclide ao="4.883342566123616e-07" name="Xe136"/>
+    <nuclide ao="4.6068906575995227e-07" name="Cs135"/>
+    <nuclide ao="4.45301183633431e-09" name="Gd156"/>
+    <nuclide ao="6.452882105032804e-05" name="Gd157"/>
+    <nuclide ao="5.350905347436304e-09" name="I135"/>
+    <nuclide ao="0.0010186933910628446" name="U235"/>
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   <material depletable="true" id="63" temperature="293.6" volume="0.06674732823364922">
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-    <nuclide ao="5.591910332022569e-09" name="Xe135"/>
-    <nuclide ao="1.5192672057181153e-06" name="Xe136"/>
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+    <nuclide ao="7.497400822054367e-09" name="Gd156"/>
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+    <nuclide ao="1.020646791660957e-08" name="I135"/>
+    <nuclide ao="1.0044358428004462e-05" name="U234"/>
+    <nuclide ao="0.0010202817074345758" name="U235"/>
+    <nuclide ao="0.022134363783915374" name="U238"/>
+    <nuclide ao="5.5919103510501745e-09" name="Xe135"/>
+    <nuclide ao="1.5192672082067856e-06" name="Xe136"/>
   </material>
   <material depletable="true" id="64" temperature="293.6" volume="0.06674732823364922">
     <density units="sum"/>
     <nuclide ao="0.046295399999999994" name="O16"/>
     <nuclide ao="0.00011276839999999999" name="O17"/>
-    <nuclide ao="4.461730955451987e-07" name="Cs135"/>
-    <nuclide ao="7.776020868744236e-09" name="Gd156"/>
-    <nuclide ao="4.4071868954077136e-10" name="Gd157"/>
-    <nuclide ao="9.588810485418303e-09" name="I135"/>
-    <nuclide ao="1.004487574471167e-05" name="U234"/>
-    <nuclide ao="0.0010174633640910328" name="U235"/>
-    <nuclide ao="0.02213456463123289" name="U238"/>
-    <nuclide ao="5.074476781994861e-09" name="Xe135"/>
-    <nuclide ao="1.7022684623812113e-06" name="Xe136"/>
+    <nuclide ao="4.46173095422033e-07" name="Cs135"/>
+    <nuclide ao="7.776020869306452e-09" name="Gd156"/>
+    <nuclide ao="4.4071869092604184e-10" name="Gd157"/>
+    <nuclide ao="9.58881052529061e-09" name="I135"/>
+    <nuclide ao="1.0044875744723067e-05" name="U234"/>
+    <nuclide ao="0.001017463364101478" name="U235"/>
+    <nuclide ao="0.022134564631230084" name="U238"/>
+    <nuclide ao="5.074476802123941e-09" name="Xe135"/>
+    <nuclide ao="1.7022684619273444e-06" name="Xe136"/>
   </material>
   <material depletable="true" id="65" temperature="293.6" volume="0.06674732823364922">
     <density units="sum"/>
     <nuclide ao="0.046295399999999994" name="O16"/>
     <nuclide ao="0.00011276839999999999" name="O17"/>
-    <nuclide ao="4.5021506685497305e-07" name="Cs135"/>
-    <nuclide ao="7.941170521897373e-09" name="Gd156"/>
-    <nuclide ao="4.879010096131576e-10" name="Gd157"/>
-    <nuclide ao="8.335158320388755e-09" name="I135"/>
-    <nuclide ao="1.0044464861755598e-05" name="U234"/>
-    <nuclide ao="0.0010174211105109195" name="U235"/>
-    <nuclide ao="0.022134346963915728" name="U238"/>
-    <nuclide ao="5.0451349372152915e-09" name="Xe135"/>
-    <nuclide ao="1.7053442909848939e-06" name="Xe136"/>
+    <nuclide ao="4.5021506681118494e-07" name="Cs135"/>
+    <nuclide ao="7.941170517826359e-09" name="Gd156"/>
+    <nuclide ao="4.87901009317699e-10" name="Gd157"/>
+    <nuclide ao="8.335158330979799e-09" name="I135"/>
+    <nuclide ao="1.004446486176024e-05" name="U234"/>
+    <nuclide ao="0.0010174211105253887" name="U235"/>
+    <nuclide ao="0.0221343469639183" name="U238"/>
+    <nuclide ao="5.045134946055872e-09" name="Xe135"/>
+    <nuclide ao="1.7053442901899206e-06" name="Xe136"/>
   </material>
   <material depletable="true" id="66" temperature="293.6" volume="0.06674732823364922">
     <density units="sum"/>
     <nuclide ao="0.046295399999999994" name="O16"/>
     <nuclide ao="0.00011276839999999999" name="O17"/>
-    <nuclide ao="4.3005307843529157e-07" name="Cs135"/>
-    <nuclide ao="8.093213731354938e-09" name="Gd156"/>
-    <nuclide ao="5.146053417605058e-10" name="Gd157"/>
-    <nuclide ao="9.193679355321394e-09" name="I135"/>
-    <nuclide ao="1.0044529408418334e-05" name="U234"/>
-    <nuclide ao="0.0010168399944823594" name="U235"/>
-    <nuclide ao="0.022134260098909925" name="U238"/>
-    <nuclide ao="5.05450783050593e-09" name="Xe135"/>
-    <nuclide ao="1.7572929684549761e-06" name="Xe136"/>
+    <nuclide ao="4.300530779935639e-07" name="Cs135"/>
+    <nuclide ao="8.093213725235949e-09" name="Gd156"/>
+    <nuclide ao="5.14605341601871e-10" name="Gd157"/>
+    <nuclide ao="9.193679363006245e-09" name="I135"/>
+    <nuclide ao="1.0044529408433637e-05" name="U234"/>
+    <nuclide ao="0.0010168399945276177" name="U235"/>
+    <nuclide ao="0.0221342600989091" name="U238"/>
+    <nuclide ao="5.0545078365203945e-09" name="Xe135"/>
+    <nuclide ao="1.7572929664610167e-06" name="Xe136"/>
   </material>
   <material depletable="true" id="67" temperature="293.6" volume="0.06674732823364922">
     <density units="sum"/>
     <nuclide ao="0.046295399999999994" name="O16"/>
     <nuclide ao="0.00011276839999999999" name="O17"/>
-    <nuclide ao="4.6387578610062286e-07" name="Cs135"/>
-    <nuclide ao="7.904303212237503e-09" name="Gd156"/>
-    <nuclide ao="3.535144099924123e-10" name="Gd157"/>
-    <nuclide ao="1.0913558740692056e-08" name="I135"/>
-    <nuclide ao="1.0045224868149788e-05" name="U234"/>
-    <nuclide ao="0.001015358496922936" name="U235"/>
-    <nuclide ao="0.022134797060124518" name="U238"/>
-    <nuclide ao="5.1610662074147125e-09" name="Xe135"/>
-    <nuclide ao="1.7925321185986492e-06" name="Xe136"/>
+    <nuclide ao="4.6387578662097733e-07" name="Cs135"/>
+    <nuclide ao="7.904303216061177e-09" name="Gd156"/>
+    <nuclide ao="3.535144094848107e-10" name="Gd157"/>
+    <nuclide ao="1.0913558729134318e-08" name="I135"/>
+    <nuclide ao="1.0045224868160921e-05" name="U234"/>
+    <nuclide ao="0.001015358496886946" name="U235"/>
+    <nuclide ao="0.02213479706012655" name="U238"/>
+    <nuclide ao="5.161066202726614e-09" name="Xe135"/>
+    <nuclide ao="1.7925321199970005e-06" name="Xe136"/>
   </material>
   <material depletable="true" id="68" temperature="293.6" volume="0.06674732823364922">
     <density units="sum"/>
     <nuclide ao="0.0464035" name="O16"/>
-    <nuclide ao="4.463981618348249e-07" name="Cs135"/>
-    <nuclide ao="5.473484806421357e-09" name="Gd156"/>
-    <nuclide ao="7.873961729359943e-06" name="Gd157"/>
-    <nuclide ao="7.047514520153705e-09" name="I135"/>
-    <nuclide ao="9.994147081867662e-22" name="U234"/>
-    <nuclide ao="0.0010125885884198049" name="U235"/>
-    <nuclide ao="0.021691621503653214" name="U238"/>
-    <nuclide ao="5.588811425534595e-09" name="Xe135"/>
-    <nuclide ao="8.320325559538217e-07" name="Xe136"/>
+    <nuclide ao="4.4639816193101677e-07" name="Cs135"/>
+    <nuclide ao="5.473484807673252e-09" name="Gd156"/>
+    <nuclide ao="7.873961737997135e-06" name="Gd157"/>
+    <nuclide ao="7.047514529599939e-09" name="I135"/>
+    <nuclide ao="0.0010125885884101112" name="U235"/>
+    <nuclide ao="0.02169162150365341" name="U238"/>
+    <nuclide ao="5.5888114325423076e-09" name="Xe135"/>
+    <nuclide ao="8.320325563583469e-07" name="Xe136"/>
   </material>
   <material depletable="true" id="69" temperature="293.6" volume="0.06674732823364922">
     <density units="sum"/>
     <nuclide ao="0.046295399999999994" name="O16"/>
     <nuclide ao="0.00011276839999999999" name="O17"/>
-    <nuclide ao="4.6223836643047225e-07" name="Cs135"/>
-    <nuclide ao="7.953476977467476e-09" name="Gd156"/>
-    <nuclide ao="4.1027175102378134e-10" name="Gd157"/>
-    <nuclide ao="9.796423510520291e-09" name="I135"/>
-    <nuclide ao="1.0044187649332334e-05" name="U234"/>
-    <nuclide ao="0.0010170353834330855" name="U235"/>
-    <nuclide ao="0.02213437255948415" name="U238"/>
-    <nuclide ao="5.099103090678887e-09" name="Xe135"/>
-    <nuclide ao="1.7121460729487166e-06" name="Xe136"/>
+    <nuclide ao="4.6223836650122475e-07" name="Cs135"/>
+    <nuclide ao="7.953476976385664e-09" name="Gd156"/>
+    <nuclide ao="4.1027175087519965e-10" name="Gd157"/>
+    <nuclide ao="9.796423506518835e-09" name="I135"/>
+    <nuclide ao="1.0044187649341062e-05" name="U234"/>
+    <nuclide ao="0.0010170353834242176" name="U235"/>
+    <nuclide ao="0.022134372559487282" name="U238"/>
+    <nuclide ao="5.0991030899242805e-09" name="Xe135"/>
+    <nuclide ao="1.7121460733075797e-06" name="Xe136"/>
   </material>
   <material depletable="true" id="70" temperature="293.6" volume="0.06674732823364922">
     <density units="sum"/>
     <nuclide ao="0.046295399999999994" name="O16"/>
     <nuclide ao="0.00011276839999999999" name="O17"/>
-    <nuclide ao="4.6649971611519487e-07" name="Cs135"/>
-    <nuclide ao="9.025781285565924e-09" name="Gd156"/>
-    <nuclide ao="3.1907017092468375e-10" name="Gd157"/>
-    <nuclide ao="1.4711477971416576e-08" name="I135"/>
-    <nuclide ao="1.0043737061582427e-05" name="U234"/>
-    <nuclide ao="0.0010106766372541289" name="U235"/>
-    <nuclide ao="0.022134240991070177" name="U238"/>
-    <nuclide ao="5.458886765350308e-09" name="Xe135"/>
-    <nuclide ao="2.046679694527426e-06" name="Xe136"/>
+    <nuclide ao="4.664997159187979e-07" name="Cs135"/>
+    <nuclide ao="9.025781278455481e-09" name="Gd156"/>
+    <nuclide ao="3.190701703279217e-10" name="Gd157"/>
+    <nuclide ao="1.4711477916054572e-08" name="I135"/>
+    <nuclide ao="1.0043737061563706e-05" name="U234"/>
+    <nuclide ao="0.0010106766373031348" name="U235"/>
+    <nuclide ao="0.02213424099107004" name="U238"/>
+    <nuclide ao="5.458886745013372e-09" name="Xe135"/>
+    <nuclide ao="2.0466796921687864e-06" name="Xe136"/>
   </material>
   <material depletable="true" id="71" temperature="293.6" volume="0.06674732823364922">
     <density units="sum"/>
     <nuclide ao="0.046295399999999994" name="O16"/>
     <nuclide ao="0.00011276839999999999" name="O17"/>
-    <nuclide ao="4.6163611951434233e-07" name="Cs135"/>
-    <nuclide ao="8.092676349588978e-09" name="Gd156"/>
-    <nuclide ao="4.0155978971538995e-10" name="Gd157"/>
-    <nuclide ao="1.1255710238096574e-08" name="I135"/>
-    <nuclide ao="1.004408015645573e-05" name="U234"/>
-    <nuclide ao="0.0010160767932069026" name="U235"/>
-    <nuclide ao="0.02213440485813173" name="U238"/>
-    <nuclide ao="6.106545578915884e-09" name="Xe135"/>
-    <nuclide ao="1.7613053602979686e-06" name="Xe136"/>
+    <nuclide ao="4.6163611872342463e-07" name="Cs135"/>
+    <nuclide ao="8.092676337515914e-09" name="Gd156"/>
+    <nuclide ao="4.0155978871991965e-10" name="Gd157"/>
+    <nuclide ao="1.1255710201354816e-08" name="I135"/>
+    <nuclide ao="1.0044080156464483e-05" name="U234"/>
+    <nuclide ao="0.0010160767932805275" name="U235"/>
+    <nuclide ao="0.022134404858133214" name="U238"/>
+    <nuclide ao="6.1065455616234985e-09" name="Xe135"/>
+    <nuclide ao="1.7613053571588805e-06" name="Xe136"/>
   </material>
   <material depletable="true" id="72" temperature="293.6" volume="0.06674732823364922">
     <density units="sum"/>
     <nuclide ao="0.046295399999999994" name="O16"/>
     <nuclide ao="0.00011276839999999999" name="O17"/>
-    <nuclide ao="4.5571123667085124e-07" name="Cs135"/>
-    <nuclide ao="6.92888783217973e-09" name="Gd156"/>
-    <nuclide ao="4.375317133467861e-10" name="Gd157"/>
-    <nuclide ao="8.93489066848444e-09" name="I135"/>
-    <nuclide ao="1.004461017444276e-05" name="U234"/>
-    <nuclide ao="0.0010236806449050182" name="U235"/>
-    <nuclide ao="0.02213444447231895" name="U238"/>
-    <nuclide ao="5.2257746760182805e-09" name="Xe135"/>
-    <nuclide ao="1.360904087177153e-06" name="Xe136"/>
+    <nuclide ao="4.5571123718376045e-07" name="Cs135"/>
+    <nuclide ao="6.928887839072172e-09" name="Gd156"/>
+    <nuclide ao="4.3753171369940084e-10" name="Gd157"/>
+    <nuclide ao="8.934890686722866e-09" name="I135"/>
+    <nuclide ao="1.0044610174441688e-05" name="U234"/>
+    <nuclide ao="0.0010236806448679259" name="U235"/>
+    <nuclide ao="0.022134444472317126" name="U238"/>
+    <nuclide ao="5.225774688291077e-09" name="Xe135"/>
+    <nuclide ao="1.3609040886582337e-06" name="Xe136"/>
   </material>
   <material id="73" temperature="293.6" volume="0.017528298008244847">
     <density units="sum"/>
diff --git a/tests/regression_tests/deplete_with_transport/test.py b/tests/regression_tests/deplete_with_transport/test.py
index 49e020367..0f7ebf00f 100644
--- a/tests/regression_tests/deplete_with_transport/test.py
+++ b/tests/regression_tests/deplete_with_transport/test.py
@@ -12,7 +12,7 @@ import openmc
 from openmc.data import JOULE_PER_EV
 import openmc.deplete
 
-from tests.regression_tests import config
+from tests.regression_tests import config, assert_atoms_equal
 from .example_geometry import generate_problem
 
 
@@ -96,23 +96,7 @@ def test_full(run_in_tmpdir, problem, multiproc):
         assert nuc in res_ref[0].index_nuc, \
             "Nuclide {} not in old results.".format(nuc)
 
-    tol = 1.0e-6
-    for mat in res_test[0].index_mat:
-        for nuc in res_test[0].index_nuc:
-            _, y_test = res_test.get_atoms(mat, nuc)
-            _, y_old = res_ref.get_atoms(mat, nuc)
-
-            # Test each point
-            correct = True
-            for i, ref in enumerate(y_old):
-                if ref != y_test[i]:
-                    if ref != 0.0:
-                        correct = np.abs(y_test[i] - ref) / ref <= tol
-                    else:
-                        correct = False
-
-            assert correct, "Discrepancy in mat {} and nuc {}\n{}\n{}".format(
-                mat, nuc, y_old, y_test)
+    assert_atoms_equal(res_ref, res_test, tol=1e-6)
 
     # Compare statepoint files with depletion results
 
diff --git a/tests/regression_tests/deplete_with_transport/test_reference.h5 b/tests/regression_tests/deplete_with_transport/test_reference.h5
index af0e3ff46f630056ab9141b30ddc2e0433473cc7..e8478250be6497c4d6ada14ca8fd20ae217b4fc6 100644
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F{{USK{E`3w


From 93a0855c7f64a9a366df557947ca7b24f93705da Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 22 Jun 2023 13:26:22 -0500
Subject: [PATCH 1876/2654] Fix test error and deprecation warnings from numpy
 1.25 (#2573)

---
 openmc/cmfd.py                                |   7 +++----
 openmc/model/model.py                         |  13 +++++++++----
 .../ref_depletion_with_feed.h5                | Bin 37328 -> 37328 bytes
 .../ref_depletion_with_removal.h5             | Bin 37328 -> 37328 bytes
 .../ref_depletion_with_transfer.h5            | Bin 37328 -> 37328 bytes
 .../ref_no_depletion_only_feed.h5             | Bin 37328 -> 37328 bytes
 .../ref_no_depletion_only_removal.h5          | Bin 37328 -> 37328 bytes
 .../ref_no_depletion_with_transfer.h5         | Bin 37328 -> 37328 bytes
 .../deplete_with_transfer_rates/test.py       |   2 ++
 tests/testing_harness.py                      |   2 +-
 10 files changed, 15 insertions(+), 9 deletions(-)

diff --git a/openmc/cmfd.py b/openmc/cmfd.py
index 85550c495..d45396f14 100644
--- a/openmc/cmfd.py
+++ b/openmc/cmfd.py
@@ -1074,13 +1074,12 @@ class CMFDRun:
         # Get acceleration map, otherwise set all regions to be accelerated
         if self._mesh.map is not None:
             check_length('CMFD coremap', self._mesh.map,
-                         np.product(self._indices[0:3]))
+                         np.prod(self._indices[:3]))
             if openmc.lib.master():
                 self._coremap = np.array(self._mesh.map)
         else:
             if openmc.lib.master():
-                self._coremap = np.ones((np.product(self._indices[0:3])),
-                                        dtype=int)
+                self._coremap = np.ones(np.prod(self._indices[:3]), dtype=int)
 
         # Check CMFD tallies accummulated before feedback turned on
         if self._feedback and self._solver_begin < self._tally_begin:
@@ -1434,7 +1433,7 @@ class CMFDRun:
         # nfissxs
 
         # Calculate volume
-        vol = np.product(self._hxyz, axis=3)
+        vol = np.prod(self._hxyz, axis=3)
 
         # Reshape phi by number of groups
         phi = self._phi.reshape((n, ng))
diff --git a/openmc/model/model.py b/openmc/model/model.py
index db0b05e15..2b5681d81 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -263,10 +263,10 @@ class Model:
         model.materials = openmc.Materials.from_xml_element(root.find('materials'))
         model.geometry = openmc.Geometry.from_xml_element(root.find('geometry'), model.materials)
 
-        if root.find('tallies'):
+        if root.find('tallies') is not None:
             model.tallies = openmc.Tallies.from_xml_element(root.find('tallies'), meshes)
 
-        if root.find('plots'):
+        if root.find('plots') is not None:
             model.plots = openmc.Plots.from_xml_element(root.find('plots'))
 
         return model
@@ -575,10 +575,15 @@ class Model:
                 cell_id = int(name.split()[1])
                 cell = cells[cell_id]
                 if cell.fill_type in ('material', 'distribmat'):
-                    cell.temperature = group['temperature'][()]
+                    temperature = group['temperature'][()]
+                    cell.temperature = temperature
                     if self.is_initialized:
                         lib_cell = openmc.lib.cells[cell_id]
-                        lib_cell.set_temperature(group['temperature'][()])
+                        if temperature.size > 1:
+                            for i, T in enumerate(temperature):
+                                lib_cell.set_temperature(T, i)
+                        else:
+                            lib_cell.set_temperature(temperature[0])
 
             # Make sure number of materials matches
             mats_group = fh['materials']
diff --git a/tests/regression_tests/deplete_with_transfer_rates/ref_depletion_with_feed.h5 b/tests/regression_tests/deplete_with_transfer_rates/ref_depletion_with_feed.h5
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zcmcbxnCZe|rVVfUnLk{bGda;!e&PioL4~yyE7z%Cblzl=VrTx>)`fAi;e^?YEI<|Z
E06AC|82|tP

delta 48
zcmcbxnCZe|rVVfUnKvw$IXTf)e&PioLB+KdE7z%CblzZ+VrTx>)`exW;e^?YEI<|Z
E04A&zF#rGn

diff --git a/tests/regression_tests/deplete_with_transfer_rates/ref_no_depletion_only_removal.h5 b/tests/regression_tests/deplete_with_transfer_rates/ref_no_depletion_only_removal.h5
index 535f5d14387d0231f68133c19a6488c287d084ac..7a3b95c812c47c5bdf5f485f679015ea38c691e3 100644
GIT binary patch
delta 48
zcmcbxnCZe|rVVfUnKxw2oSf(?Kk<T)pu*aUmFv_mI&U&bu`~Z`>%zF%aKdax7N81y
E03Fs8zW@LL

delta 48
zcmcbxnCZe|rVVfUnI~A!nw;n=Kk<T)pyJw!mFv_mI&UyZu`~Z`>%y|xaKdax7N81y
E01?U*DF6Tf

diff --git a/tests/regression_tests/deplete_with_transfer_rates/ref_no_depletion_with_transfer.h5 b/tests/regression_tests/deplete_with_transfer_rates/ref_no_depletion_with_transfer.h5
index 73f290aab629676059dc610bd7fa0045932cf656..7d68d1d5f8576fde9a5e227efe3d18136a6c629e 100644
GIT binary patch
delta 48
zcmcbxnCZe|rVVfUnGd|kot)?@Kk<T)pu*aUmFv_mI&U&bu`~Z`>%zF%aKdax7N81y
E04?qnhX4Qo

delta 48
zcmcbxnCZe|rVVfUnHlC}Oipx_pLjt?P;qU=%5~}&oi~`I*qQ&ebz#|TIAJy;3s8kU
E00HI`X8-^I

diff --git a/tests/regression_tests/deplete_with_transfer_rates/test.py b/tests/regression_tests/deplete_with_transfer_rates/test.py
index 99f35a95b..d6d58bbc0 100644
--- a/tests/regression_tests/deplete_with_transfer_rates/test.py
+++ b/tests/regression_tests/deplete_with_transfer_rates/test.py
@@ -2,6 +2,7 @@
 
 from pathlib import Path
 import shutil
+import sys
 
 import numpy as np
 import pytest
@@ -45,6 +46,7 @@ def model():
 
     return openmc.Model(geometry, materials, settings)
 
+@pytest.mark.skipif(sys.version_info < (3, 9), reason="Requires Python 3.9+")
 @pytest.mark.parametrize("rate, dest_mat, power, ref_result", [
     (1e-5, None, 0.0, 'no_depletion_only_removal'),
     (-1e-5, None, 0.0, 'no_depletion_only_feed'),
diff --git a/tests/testing_harness.py b/tests/testing_harness.py
index f0edf4ea4..40c9d37d8 100644
--- a/tests/testing_harness.py
+++ b/tests/testing_harness.py
@@ -181,7 +181,7 @@ class CMFDTestHarness(TestHarness):
         outstr += '\ncmfd openmc source comparison\n'
         outstr += '\n'.join(['{:.6E}'.format(x) for x in cmfd_run.src_cmp])
         outstr += '\ncmfd source\n'
-        cmfdsrc = np.reshape(cmfd_run.cmfd_src, np.product(cmfd_run.indices),
+        cmfdsrc = np.reshape(cmfd_run.cmfd_src, np.prod(cmfd_run.indices),
                              order='F')
         outstr += '\n'.join(['{:.6E}'.format(x) for x in cmfdsrc])
         outstr += '\n'

From 8cc1c33463888fe277d0bddb9d4abdf8d3bc6e8e Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 22 Jun 2023 21:36:33 -0500
Subject: [PATCH 1877/2654] Updating source definitions in examples (#2571)

---
 examples/custom_source/build_xml.py               | 2 +-
 examples/lattice/hexagonal/build_xml.py           | 2 +-
 examples/lattice/nested/build_xml.py              | 2 +-
 examples/lattice/simple/build_xml.py              | 2 +-
 examples/parameterized_custom_source/build_xml.py | 2 +-
 examples/pincell/build_xml.py                     | 2 +-
 examples/pincell_depletion/restart_depletion.py   | 2 +-
 examples/pincell_depletion/run_depletion.py       | 2 +-
 examples/pincell_multigroup/build_xml.py          | 2 +-
 tests/unit_tests/weightwindows/test_ww_gen.py     | 2 +-
 10 files changed, 10 insertions(+), 10 deletions(-)

diff --git a/examples/custom_source/build_xml.py b/examples/custom_source/build_xml.py
index e9a9a0656..6db136216 100644
--- a/examples/custom_source/build_xml.py
+++ b/examples/custom_source/build_xml.py
@@ -18,7 +18,7 @@ settings = openmc.Settings()
 settings.run_mode = 'fixed source'
 settings.batches = 10
 settings.particles = 1000
-source = openmc.IndependentSource()
+source = openmc.CompiledSource()
 source.library = 'build/libsource.so'
 settings.source = source
 settings.export_to_xml()
diff --git a/examples/lattice/hexagonal/build_xml.py b/examples/lattice/hexagonal/build_xml.py
index c0aa815b4..96ff3f34a 100644
--- a/examples/lattice/hexagonal/build_xml.py
+++ b/examples/lattice/hexagonal/build_xml.py
@@ -115,7 +115,7 @@ settings_file.particles = particles
 # Create an initial uniform spatial source distribution over fissionable zones
 bounds = [-1, -1, -1, 1, 1, 1]
 uniform_dist = openmc.stats.Box(bounds[:3], bounds[3:], only_fissionable=True)
-settings_file.source = openmc.source.Source(space=uniform_dist)
+settings_file.source = openmc.IndependentSource(space=uniform_dist)
 
 settings_file.keff_trigger = {'type' : 'std_dev', 'threshold' : 5E-4}
 settings_file.trigger_active = True
diff --git a/examples/lattice/nested/build_xml.py b/examples/lattice/nested/build_xml.py
index 06641f5ac..407a53a23 100644
--- a/examples/lattice/nested/build_xml.py
+++ b/examples/lattice/nested/build_xml.py
@@ -125,7 +125,7 @@ settings_file.particles = particles
 # Create an initial uniform spatial source distribution over fissionable zones
 bounds = [-1, -1, -1, 1, 1, 1]
 uniform_dist = openmc.stats.Box(bounds[:3], bounds[3:], only_fissionable=True)
-settings_file.source = openmc.source.Source(space=uniform_dist)
+settings_file.source = openmc.IndependentSource(space=uniform_dist)
 
 settings_file.export_to_xml()
 
diff --git a/examples/lattice/simple/build_xml.py b/examples/lattice/simple/build_xml.py
index 17544b87f..0da8d8cf0 100644
--- a/examples/lattice/simple/build_xml.py
+++ b/examples/lattice/simple/build_xml.py
@@ -116,7 +116,7 @@ settings_file.particles = particles
 # Create an initial uniform spatial source distribution over fissionable zones
 bounds = [-1, -1, -1, 1, 1, 1]
 uniform_dist = openmc.stats.Box(bounds[:3], bounds[3:], only_fissionable=True)
-settings_file.source = openmc.source.Source(space=uniform_dist)
+settings_file.source = openmc.IndependentSource(space=uniform_dist)
 
 settings_file.trigger_active = True
 settings_file.trigger_max_batches = 100
diff --git a/examples/parameterized_custom_source/build_xml.py b/examples/parameterized_custom_source/build_xml.py
index 3c67e244d..23d9930c0 100644
--- a/examples/parameterized_custom_source/build_xml.py
+++ b/examples/parameterized_custom_source/build_xml.py
@@ -18,7 +18,7 @@ settings = openmc.Settings()
 settings.run_mode = 'fixed source'
 settings.batches = 10
 settings.particles = 1000
-source = openmc.IndependentSource()
+source = openmc.CompiledSource()
 source.library = 'build/libparameterized_source.so'
 source.parameters = 'radius=3.0, energy=14.08e6'
 settings.source = source
diff --git a/examples/pincell/build_xml.py b/examples/pincell/build_xml.py
index c5d614ea9..cd8923fbe 100644
--- a/examples/pincell/build_xml.py
+++ b/examples/pincell/build_xml.py
@@ -68,7 +68,7 @@ settings.particles = 1000
 lower_left = (-pitch/2, -pitch/2, -1)
 upper_right = (pitch/2, pitch/2, 1)
 uniform_dist = openmc.stats.Box(lower_left, upper_right, only_fissionable=True)
-settings.source = openmc.source.Source(space=uniform_dist)
+settings.source = openmc.IndependentSource(space=uniform_dist)
 
 # For source convergence checks, add a mesh that can be used to calculate the
 # Shannon entropy
diff --git a/examples/pincell_depletion/restart_depletion.py b/examples/pincell_depletion/restart_depletion.py
index 6bb715f3b..ac065d340 100644
--- a/examples/pincell_depletion/restart_depletion.py
+++ b/examples/pincell_depletion/restart_depletion.py
@@ -27,7 +27,7 @@ settings.particles = 10000
 # Create an initial uniform spatial source distribution over fissionable zones
 bounds = [-0.62992, -0.62992, -1, 0.62992, 0.62992, 1]
 uniform_dist = openmc.stats.Box(bounds[:3], bounds[3:], only_fissionable=True)
-settings.source = openmc.source.Source(space=uniform_dist)
+settings.source = openmc.IndependentSource(space=uniform_dist)
 
 entropy_mesh = openmc.RegularMesh()
 entropy_mesh.lower_left = [-0.39218, -0.39218, -1.e50]
diff --git a/examples/pincell_depletion/run_depletion.py b/examples/pincell_depletion/run_depletion.py
index 6a6c25f59..493e31178 100644
--- a/examples/pincell_depletion/run_depletion.py
+++ b/examples/pincell_depletion/run_depletion.py
@@ -72,7 +72,7 @@ settings.particles = 1000
 # Create an initial uniform spatial source distribution over fissionable zones
 bounds = [-0.62992, -0.62992, -1, 0.62992, 0.62992, 1]
 uniform_dist = openmc.stats.Box(bounds[:3], bounds[3:], only_fissionable=True)
-settings.source = openmc.source.Source(space=uniform_dist)
+settings.source = openmc.IndependentSource(space=uniform_dist)
 
 entropy_mesh = openmc.RegularMesh()
 entropy_mesh.lower_left = [-0.39218, -0.39218, -1.e50]
diff --git a/examples/pincell_multigroup/build_xml.py b/examples/pincell_multigroup/build_xml.py
index 1f3468391..48671698d 100644
--- a/examples/pincell_multigroup/build_xml.py
+++ b/examples/pincell_multigroup/build_xml.py
@@ -114,7 +114,7 @@ settings.particles = 1000
 lower_left = (-pitch/2, -pitch/2, -1)
 upper_right = (pitch/2, pitch/2, 1)
 uniform_dist = openmc.stats.Box(lower_left, upper_right, only_fissionable=True)
-settings.source = openmc.source.Source(space=uniform_dist)
+settings.source = openmc.IndependentSource(space=uniform_dist)
 settings.export_to_xml()
 
 ###############################################################################
diff --git a/tests/unit_tests/weightwindows/test_ww_gen.py b/tests/unit_tests/weightwindows/test_ww_gen.py
index 74bbcfada..a5f65ff61 100644
--- a/tests/unit_tests/weightwindows/test_ww_gen.py
+++ b/tests/unit_tests/weightwindows/test_ww_gen.py
@@ -62,7 +62,7 @@ def model():
     # 10 keV neutron point source at the origin
     space = openmc.stats.Point()
     energy = openmc.stats.Discrete(x=[1e4], p=[1.0])
-    settings.source = openmc.Source(space=space, energy=energy)
+    settings.source = openmc.IndependentSource(space=space, energy=energy)
 
     return openmc.Model(geometry=geometry, settings=settings)
 

From e94d59c0fb232e47661c613460801204c678232f Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Sat, 24 Jun 2023 18:03:23 -0500
Subject: [PATCH 1878/2654] Remove use of sscanf for reading surface
 coefficients (#2574)

---
 src/surface.cpp | 131 ++++++++++--------------------------------------
 1 file changed, 27 insertions(+), 104 deletions(-)

diff --git a/src/surface.cpp b/src/surface.cpp
index 2403d0c6a..3050cf104 100644
--- a/src/surface.cpp
+++ b/src/surface.cpp
@@ -2,6 +2,7 @@
 
 #include <cmath>
 #include <complex>
+#include <initializer_list>
 #include <set>
 #include <utility>
 
@@ -34,100 +35,21 @@ vector<unique_ptr<Surface>> surfaces;
 // Helper functions for reading the "coeffs" node of an XML surface element
 //==============================================================================
 
-void read_coeffs(pugi::xml_node surf_node, int surf_id, double& c1)
-{
-  // Check the given number of coefficients.
-  std::string coeffs = get_node_value(surf_node, "coeffs");
-  int n_words = word_count(coeffs);
-  if (n_words != 1) {
-    fatal_error(fmt::format(
-      "Surface {} expects 1 coeff but was given {}", surf_id, n_words));
-  }
-
-  // Parse the coefficients.
-  int stat = sscanf(coeffs.c_str(), "%lf", &c1);
-  if (stat != 1) {
-    fatal_error(fmt::format(
-      "Something went wrong reading coeffs for surface {}", surf_id));
-  }
-}
-
 void read_coeffs(
-  pugi::xml_node surf_node, int surf_id, double& c1, double& c2, double& c3)
+  pugi::xml_node surf_node, int surf_id, std::initializer_list<double*> coeffs)
 {
   // Check the given number of coefficients.
-  std::string coeffs = get_node_value(surf_node, "coeffs");
-  int n_words = word_count(coeffs);
-  if (n_words != 3) {
-    fatal_error(fmt::format(
-      "Surface {} expects 3 coeffs but was given {}", surf_id, n_words));
+  auto coeffs_file = get_node_array<double>(surf_node, "coeffs");
+  if (coeffs_file.size() != coeffs.size()) {
+    fatal_error(
+      fmt::format("Surface {} expects {} coefficient but was given {}", surf_id,
+        coeffs.size(), coeffs_file.size()));
   }
 
-  // Parse the coefficients.
-  int stat = sscanf(coeffs.c_str(), "%lf %lf %lf", &c1, &c2, &c3);
-  if (stat != 3) {
-    fatal_error(fmt::format(
-      "Something went wrong reading coeffs for surface {}", surf_id));
-  }
-}
-
-void read_coeffs(pugi::xml_node surf_node, int surf_id, double& c1, double& c2,
-  double& c3, double& c4)
-{
-  // Check the given number of coefficients.
-  std::string coeffs = get_node_value(surf_node, "coeffs");
-  int n_words = word_count(coeffs);
-  if (n_words != 4) {
-    fatal_error(fmt::format(
-      "Surface {} expects 4 coeffs but was given ", surf_id, n_words));
-  }
-
-  // Parse the coefficients.
-  int stat = sscanf(coeffs.c_str(), "%lf %lf %lf %lf", &c1, &c2, &c3, &c4);
-  if (stat != 4) {
-    fatal_error(fmt::format(
-      "Something went wrong reading coeffs for surface {}", surf_id));
-  }
-}
-
-void read_coeffs(pugi::xml_node surf_node, int surf_id, double& c1, double& c2,
-  double& c3, double& c4, double& c5, double& c6)
-{
-  // Check the given number of coefficients.
-  std::string coeffs = get_node_value(surf_node, "coeffs");
-  int n_words = word_count(coeffs);
-  if (n_words != 6) {
-    fatal_error(fmt::format(
-      "Surface {} expects 6 coeffs but was given {}", surf_id, n_words));
-  }
-
-  // Parse the coefficients.
-  int stat = sscanf(
-    coeffs.c_str(), "%lf %lf %lf %lf %lf %lf", &c1, &c2, &c3, &c4, &c5, &c6);
-  if (stat != 6) {
-    fatal_error(fmt::format(
-      "Something went wrong reading coeffs for surface {}", surf_id));
-  }
-}
-
-void read_coeffs(pugi::xml_node surf_node, int surf_id, double& c1, double& c2,
-  double& c3, double& c4, double& c5, double& c6, double& c7, double& c8,
-  double& c9, double& c10)
-{
-  // Check the given number of coefficients.
-  std::string coeffs = get_node_value(surf_node, "coeffs");
-  int n_words = word_count(coeffs);
-  if (n_words != 10) {
-    fatal_error(fmt::format(
-      "Surface {} expects 10 coeffs but was given {}", surf_id, n_words));
-  }
-
-  // Parse the coefficients.
-  int stat = sscanf(coeffs.c_str(), "%lf %lf %lf %lf %lf %lf %lf %lf %lf %lf",
-    &c1, &c2, &c3, &c4, &c5, &c6, &c7, &c8, &c9, &c10);
-  if (stat != 10) {
-    fatal_error(fmt::format(
-      "Something went wrong reading coeffs for surface {}", surf_id));
+  // Copy the coefficients
+  int i = 0;
+  for (auto c : coeffs) {
+    *c = coeffs_file[i++];
   }
 }
 
@@ -279,7 +201,7 @@ double axis_aligned_plane_distance(
 
 SurfaceXPlane::SurfaceXPlane(pugi::xml_node surf_node) : CSGSurface(surf_node)
 {
-  read_coeffs(surf_node, id_, x0_);
+  read_coeffs(surf_node, id_, {&x0_});
 }
 
 double SurfaceXPlane::evaluate(Position r) const
@@ -319,7 +241,7 @@ BoundingBox SurfaceXPlane::bounding_box(bool pos_side) const
 
 SurfaceYPlane::SurfaceYPlane(pugi::xml_node surf_node) : CSGSurface(surf_node)
 {
-  read_coeffs(surf_node, id_, y0_);
+  read_coeffs(surf_node, id_, {&y0_});
 }
 
 double SurfaceYPlane::evaluate(Position r) const
@@ -359,7 +281,7 @@ BoundingBox SurfaceYPlane::bounding_box(bool pos_side) const
 
 SurfaceZPlane::SurfaceZPlane(pugi::xml_node surf_node) : CSGSurface(surf_node)
 {
-  read_coeffs(surf_node, id_, z0_);
+  read_coeffs(surf_node, id_, {&z0_});
 }
 
 double SurfaceZPlane::evaluate(Position r) const
@@ -399,7 +321,7 @@ BoundingBox SurfaceZPlane::bounding_box(bool pos_side) const
 
 SurfacePlane::SurfacePlane(pugi::xml_node surf_node) : CSGSurface(surf_node)
 {
-  read_coeffs(surf_node, id_, A_, B_, C_, D_);
+  read_coeffs(surf_node, id_, {&A_, &B_, &C_, &D_});
 }
 
 double SurfacePlane::evaluate(Position r) const
@@ -518,7 +440,7 @@ Direction axis_aligned_cylinder_normal(
 SurfaceXCylinder::SurfaceXCylinder(pugi::xml_node surf_node)
   : CSGSurface(surf_node)
 {
-  read_coeffs(surf_node, id_, y0_, z0_, radius_);
+  read_coeffs(surf_node, id_, {&y0_, &z0_, &radius_});
 }
 
 double SurfaceXCylinder::evaluate(Position r) const
@@ -561,7 +483,7 @@ BoundingBox SurfaceXCylinder::bounding_box(bool pos_side) const
 SurfaceYCylinder::SurfaceYCylinder(pugi::xml_node surf_node)
   : CSGSurface(surf_node)
 {
-  read_coeffs(surf_node, id_, x0_, z0_, radius_);
+  read_coeffs(surf_node, id_, {&x0_, &z0_, &radius_});
 }
 
 double SurfaceYCylinder::evaluate(Position r) const
@@ -605,7 +527,7 @@ BoundingBox SurfaceYCylinder::bounding_box(bool pos_side) const
 SurfaceZCylinder::SurfaceZCylinder(pugi::xml_node surf_node)
   : CSGSurface(surf_node)
 {
-  read_coeffs(surf_node, id_, x0_, y0_, radius_);
+  read_coeffs(surf_node, id_, {&x0_, &y0_, &radius_});
 }
 
 double SurfaceZCylinder::evaluate(Position r) const
@@ -648,7 +570,7 @@ BoundingBox SurfaceZCylinder::bounding_box(bool pos_side) const
 
 SurfaceSphere::SurfaceSphere(pugi::xml_node surf_node) : CSGSurface(surf_node)
 {
-  read_coeffs(surf_node, id_, x0_, y0_, z0_, radius_);
+  read_coeffs(surf_node, id_, {&x0_, &y0_, &z0_, &radius_});
 }
 
 double SurfaceSphere::evaluate(Position r) const
@@ -814,7 +736,7 @@ Direction axis_aligned_cone_normal(
 
 SurfaceXCone::SurfaceXCone(pugi::xml_node surf_node) : CSGSurface(surf_node)
 {
-  read_coeffs(surf_node, id_, x0_, y0_, z0_, radius_sq_);
+  read_coeffs(surf_node, id_, {&x0_, &y0_, &z0_, &radius_sq_});
 }
 
 double SurfaceXCone::evaluate(Position r) const
@@ -846,7 +768,7 @@ void SurfaceXCone::to_hdf5_inner(hid_t group_id) const
 
 SurfaceYCone::SurfaceYCone(pugi::xml_node surf_node) : CSGSurface(surf_node)
 {
-  read_coeffs(surf_node, id_, x0_, y0_, z0_, radius_sq_);
+  read_coeffs(surf_node, id_, {&x0_, &y0_, &z0_, &radius_sq_});
 }
 
 double SurfaceYCone::evaluate(Position r) const
@@ -878,7 +800,7 @@ void SurfaceYCone::to_hdf5_inner(hid_t group_id) const
 
 SurfaceZCone::SurfaceZCone(pugi::xml_node surf_node) : CSGSurface(surf_node)
 {
-  read_coeffs(surf_node, id_, x0_, y0_, z0_, radius_sq_);
+  read_coeffs(surf_node, id_, {&x0_, &y0_, &z0_, &radius_sq_});
 }
 
 double SurfaceZCone::evaluate(Position r) const
@@ -910,7 +832,8 @@ void SurfaceZCone::to_hdf5_inner(hid_t group_id) const
 
 SurfaceQuadric::SurfaceQuadric(pugi::xml_node surf_node) : CSGSurface(surf_node)
 {
-  read_coeffs(surf_node, id_, A_, B_, C_, D_, E_, F_, G_, H_, J_, K_);
+  read_coeffs(
+    surf_node, id_, {&A_, &B_, &C_, &D_, &E_, &F_, &G_, &H_, &J_, &K_});
 }
 
 double SurfaceQuadric::evaluate(Position r) const
@@ -1062,7 +985,7 @@ double torus_distance(double x1, double x2, double x3, double u1, double u2,
 
 SurfaceXTorus::SurfaceXTorus(pugi::xml_node surf_node) : CSGSurface(surf_node)
 {
-  read_coeffs(surf_node, id_, x0_, y0_, z0_, A_, B_, C_);
+  read_coeffs(surf_node, id_, {&x0_, &y0_, &z0_, &A_, &B_, &C_});
 }
 
 void SurfaceXTorus::to_hdf5_inner(hid_t group_id) const
@@ -1115,7 +1038,7 @@ Direction SurfaceXTorus::normal(Position r) const
 
 SurfaceYTorus::SurfaceYTorus(pugi::xml_node surf_node) : CSGSurface(surf_node)
 {
-  read_coeffs(surf_node, id_, x0_, y0_, z0_, A_, B_, C_);
+  read_coeffs(surf_node, id_, {&x0_, &y0_, &z0_, &A_, &B_, &C_});
 }
 
 void SurfaceYTorus::to_hdf5_inner(hid_t group_id) const
@@ -1168,7 +1091,7 @@ Direction SurfaceYTorus::normal(Position r) const
 
 SurfaceZTorus::SurfaceZTorus(pugi::xml_node surf_node) : CSGSurface(surf_node)
 {
-  read_coeffs(surf_node, id_, x0_, y0_, z0_, A_, B_, C_);
+  read_coeffs(surf_node, id_, {&x0_, &y0_, &z0_, &A_, &B_, &C_});
 }
 
 void SurfaceZTorus::to_hdf5_inner(hid_t group_id) const

From b489023340be41f3a18117ceeadb6bf278e685a3 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Sun, 25 Jun 2023 00:03:56 +0100
Subject: [PATCH 1879/2654] Option units for geometry plot (#2575)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/universe.py | 22 ++++++++++++++--------
 1 file changed, 14 insertions(+), 8 deletions(-)

diff --git a/openmc/universe.py b/openmc/universe.py
index 6acecf800..447746e57 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -303,7 +303,7 @@ class Universe(UniverseBase):
 
     def plot(self, origin=None, width=None, pixels=40000,
              basis='xy', color_by='cell', colors=None, seed=None,
-             openmc_exec='openmc', axes=None, legend=False,
+             openmc_exec='openmc', axes=None, legend=False, axis_units='cm',
              legend_kwargs=_default_legend_kwargs, outline=False,
              **kwargs):
         """Display a slice plot of the universe.
@@ -360,6 +360,10 @@ class Universe(UniverseBase):
         outline : bool
             Whether outlines between color boundaries should be drawn
 
+            .. versionadded:: 0.13.4
+        axis_units : {'km', 'm', 'cm', 'mm'}
+            Units used on the plot axis
+
             .. versionadded:: 0.13.4
         **kwargs
             Keyword arguments passed to :func:`matplotlib.pyplot.imshow`
@@ -377,13 +381,13 @@ class Universe(UniverseBase):
         # Determine extents of plot
         if basis == 'xy':
             x, y = 0, 1
-            xlabel, ylabel = 'x [cm]', 'y [cm]'
+            xlabel, ylabel = f'x [{axis_units}]', f'y [{axis_units}]'
         elif basis == 'yz':
             x, y = 1, 2
-            xlabel, ylabel = 'y [cm]', 'z [cm]'
+            xlabel, ylabel = f'y [{axis_units}]', f'z [{axis_units}]'
         elif basis == 'xz':
             x, y = 0, 2
-            xlabel, ylabel = 'x [cm]', 'z [cm]'
+            xlabel, ylabel = f'x [{axis_units}]', f'z [{axis_units}]'
 
         bb = self.bounding_box
         # checks to see if bounding box contains -inf or inf values
@@ -408,10 +412,12 @@ class Universe(UniverseBase):
             pixels_y = math.sqrt(pixels / aspect_ratio)
             pixels = (int(pixels / pixels_y), int(pixels_y))
 
-        x_min = origin[x] - 0.5*width[0]
-        x_max = origin[x] + 0.5*width[0]
-        y_min = origin[y] - 0.5*width[1]
-        y_max = origin[y] + 0.5*width[1]
+        axis_scaling_factor = {'km': 0.00001, 'm': 0.01, 'cm': 1, 'mm': 10}
+
+        x_min = (origin[x] - 0.5*width[0]) * axis_scaling_factor[axis_units]
+        x_max = (origin[x] + 0.5*width[0]) * axis_scaling_factor[axis_units]
+        y_min = (origin[y] - 0.5*width[1]) * axis_scaling_factor[axis_units]
+        y_max = (origin[y] + 0.5*width[1]) * axis_scaling_factor[axis_units]
 
         with TemporaryDirectory() as tmpdir:
             model = openmc.Model()

From b5e54468a9de2b65d7856a8eaf98ccb6625dd63c Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Sun, 25 Jun 2023 00:27:54 -0500
Subject: [PATCH 1880/2654] Weight window update method fixes (#2578)

---
 src/weight_windows.cpp | 798 ++++++++++++++++++++---------------------
 1 file changed, 394 insertions(+), 404 deletions(-)

diff --git a/src/weight_windows.cpp b/src/weight_windows.cpp
index 104c38815..dcdf13abe 100644
--- a/src/weight_windows.cpp
+++ b/src/weight_windows.cpp
@@ -611,16 +611,16 @@ void WeightWindows::update_magic(
     // select all
     auto group_view = xt::view(new_bounds, e);
 
-    double group_max = *std::max_element(group_view.begin(), group_view.end());
-    // normalize values in this energy group by the maximum value for this
-    // group
-    if (group_max > 0.0)
-      group_view /= group_max;
-
     // divide by volume of mesh elements
     for (int i = 0; i < group_view.size(); i++) {
       group_view[i] /= mesh_vols[i];
     }
+
+    double group_max = *std::max_element(group_view.begin(), group_view.end());
+    // normalize values in this energy group by the maximum value for this
+    // group
+    if (group_max > 0.0)
+      group_view /= 2.0 * group_max;
   }
 
   // make sure that values where the mean is zero are set s.t. the weight window
@@ -659,7 +659,7 @@ void WeightWindows::check_tally_update_compatibility(const Tally* tally)
     if (allowed_filters.find(filter_pair.first) == allowed_filters.end()) {
       fatal_error(fmt::format("Invalid filter type '{}' found on tally "
                               "used for weight window generation.",
-        model::tally_filters[filter_pair.second]->type_str()));
+        model::tally_filters[tally->filters(filter_pair.second)]->type_str()));
     }
   }
 
@@ -695,431 +695,421 @@ void WeightWindows::check_tally_update_compatibility(const Tally* tally)
   }
 }
 
-  void WeightWindows::to_hdf5(hid_t group) const
-  {
-    hid_t ww_group =
-      create_group(group, fmt::format("weight_windows_{}", id()));
+void WeightWindows::to_hdf5(hid_t group) const
+{
+  hid_t ww_group = create_group(group, fmt::format("weight_windows_{}", id()));
 
-    write_dataset(ww_group, "mesh", this->mesh()->id());
-    write_dataset(
-      ww_group, "particle_type", openmc::particle_type_to_str(particle_type_));
-    write_dataset(ww_group, "energy_bounds", energy_bounds_);
-    write_dataset(ww_group, "lower_ww_bounds", lower_ww_);
-    write_dataset(ww_group, "upper_ww_bounds", upper_ww_);
-    write_dataset(ww_group, "survival_ratio", survival_ratio_);
-    write_dataset(ww_group, "max_lower_bound_ratio", max_lb_ratio_);
-    write_dataset(ww_group, "max_split", max_split_);
-    write_dataset(ww_group, "weight_cutoff", weight_cutoff_);
+  write_dataset(ww_group, "mesh", this->mesh()->id());
+  write_dataset(
+    ww_group, "particle_type", openmc::particle_type_to_str(particle_type_));
+  write_dataset(ww_group, "energy_bounds", energy_bounds_);
+  write_dataset(ww_group, "lower_ww_bounds", lower_ww_);
+  write_dataset(ww_group, "upper_ww_bounds", upper_ww_);
+  write_dataset(ww_group, "survival_ratio", survival_ratio_);
+  write_dataset(ww_group, "max_lower_bound_ratio", max_lb_ratio_);
+  write_dataset(ww_group, "max_split", max_split_);
+  write_dataset(ww_group, "weight_cutoff", weight_cutoff_);
 
-    close_group(ww_group);
-  }
+  close_group(ww_group);
+}
 
-  WeightWindowsGenerator::WeightWindowsGenerator(pugi::xml_node node)
-  {
-    // read information from the XML node
-    int32_t mesh_id = std::stoi(get_node_value(node, "mesh"));
-    int32_t mesh_idx = model::mesh_map[mesh_id];
-    max_realizations_ = std::stoi(get_node_value(node, "max_realizations"));
+WeightWindowsGenerator::WeightWindowsGenerator(pugi::xml_node node)
+{
+  // read information from the XML node
+  int32_t mesh_id = std::stoi(get_node_value(node, "mesh"));
+  int32_t mesh_idx = model::mesh_map[mesh_id];
+  max_realizations_ = std::stoi(get_node_value(node, "max_realizations"));
 
-    int active_batches = settings::n_batches - settings::n_inactive;
-    if (max_realizations_ > active_batches) {
-      auto msg = fmt::format(
-        "The maximum number of specified tally realizations ({}) is "
-        "greater than the number of active batches ({}).",
+  int active_batches = settings::n_batches - settings::n_inactive;
+  if (max_realizations_ > active_batches) {
+    auto msg =
+      fmt::format("The maximum number of specified tally realizations ({}) is "
+                  "greater than the number of active batches ({}).",
         max_realizations_, active_batches);
-      warning(msg);
-    }
-    auto tmp_str = get_node_value(node, "particle_type", true, true);
-    auto particle_type = str_to_particle_type(tmp_str);
+    warning(msg);
+  }
+  auto tmp_str = get_node_value(node, "particle_type", true, true);
+  auto particle_type = str_to_particle_type(tmp_str);
 
-    update_interval_ = std::stoi(get_node_value(node, "update_interval"));
-    on_the_fly_ = get_node_value_bool(node, "on_the_fly");
+  update_interval_ = std::stoi(get_node_value(node, "update_interval"));
+  on_the_fly_ = get_node_value_bool(node, "on_the_fly");
 
-    std::vector<double> e_bounds;
-    if (check_for_node(node, "energy_bounds")) {
-      e_bounds = get_node_array<double>(node, "energy_bounds");
-    } else {
-      int p_type = static_cast<int>(particle_type);
-      e_bounds.push_back(data::energy_min[p_type]);
-      e_bounds.push_back(data::energy_max[p_type]);
-    }
+  std::vector<double> e_bounds;
+  if (check_for_node(node, "energy_bounds")) {
+    e_bounds = get_node_array<double>(node, "energy_bounds");
+  } else {
+    int p_type = static_cast<int>(particle_type);
+    e_bounds.push_back(data::energy_min[p_type]);
+    e_bounds.push_back(data::energy_max[p_type]);
+  }
 
-    // create a tally based on the WWG information
-    Tally* ww_tally = Tally::create();
-    tally_idx_ = model::tally_map[ww_tally->id()];
-    ww_tally->set_scores({"flux"});
+  // create a tally based on the WWG information
+  Tally* ww_tally = Tally::create();
+  tally_idx_ = model::tally_map[ww_tally->id()];
+  ww_tally->set_scores({"flux"});
 
-    // see if there's already a mesh filter using this mesh
-    bool found_mesh_filter = false;
-    for (const auto& f : model::tally_filters) {
-      if (f->type() == FilterType::MESH) {
-        const auto* mesh_filter = dynamic_cast<MeshFilter*>(f.get());
-        if (mesh_filter->mesh() == mesh_idx && !mesh_filter->translated()) {
-          ww_tally->add_filter(f.get());
-          found_mesh_filter = true;
-          break;
-        }
+  // see if there's already a mesh filter using this mesh
+  bool found_mesh_filter = false;
+  for (const auto& f : model::tally_filters) {
+    if (f->type() == FilterType::MESH) {
+      const auto* mesh_filter = dynamic_cast<MeshFilter*>(f.get());
+      if (mesh_filter->mesh() == mesh_idx && !mesh_filter->translated()) {
+        ww_tally->add_filter(f.get());
+        found_mesh_filter = true;
+        break;
       }
     }
+  }
 
-    if (!found_mesh_filter) {
-      auto mesh_filter = Filter::create("mesh");
-      openmc_mesh_filter_set_mesh(
-        mesh_filter->index(), model::mesh_map[mesh_id]);
-      ww_tally->add_filter(mesh_filter);
-    }
+  if (!found_mesh_filter) {
+    auto mesh_filter = Filter::create("mesh");
+    openmc_mesh_filter_set_mesh(mesh_filter->index(), model::mesh_map[mesh_id]);
+    ww_tally->add_filter(mesh_filter);
+  }
 
-    if (e_bounds.size() > 0) {
-      auto energy_filter = Filter::create("energy");
-      openmc_energy_filter_set_bins(
-        energy_filter->index(), e_bounds.size(), e_bounds.data());
-      ww_tally->add_filter(energy_filter);
-    }
+  if (e_bounds.size() > 0) {
+    auto energy_filter = Filter::create("energy");
+    openmc_energy_filter_set_bins(
+      energy_filter->index(), e_bounds.size(), e_bounds.data());
+    ww_tally->add_filter(energy_filter);
+  }
 
-    // add a particle filter
-    auto particle_filter = Filter::create("particle");
-    auto pf = dynamic_cast<ParticleFilter*>(particle_filter);
-    pf->set_particles({&particle_type, 1});
-    ww_tally->add_filter(particle_filter);
+  // add a particle filter
+  auto particle_filter = Filter::create("particle");
+  auto pf = dynamic_cast<ParticleFilter*>(particle_filter);
+  pf->set_particles({&particle_type, 1});
+  ww_tally->add_filter(particle_filter);
 
-    // set method and parameters for updates
-    method_ = get_node_value(node, "method");
-    if (method_ == "magic") {
-      // parse non-default update parameters if specified
-      if (check_for_node(node, "update_parameters")) {
-        pugi::xml_node params_node = node.child("update_parameters");
-        if (check_for_node(params_node, "value"))
-          tally_value_ = get_node_value(params_node, "value");
-        if (check_for_node(params_node, "threshold"))
-          threshold_ = std::stod(get_node_value(params_node, "threshold"));
-        if (check_for_node(params_node, "ratio")) {
-          ratio_ = std::stod(get_node_value(params_node, "ratio"));
-        }
+  // set method and parameters for updates
+  method_ = get_node_value(node, "method");
+  if (method_ == "magic") {
+    // parse non-default update parameters if specified
+    if (check_for_node(node, "update_parameters")) {
+      pugi::xml_node params_node = node.child("update_parameters");
+      if (check_for_node(params_node, "value"))
+        tally_value_ = get_node_value(params_node, "value");
+      if (check_for_node(params_node, "threshold"))
+        threshold_ = std::stod(get_node_value(params_node, "threshold"));
+      if (check_for_node(params_node, "ratio")) {
+        ratio_ = std::stod(get_node_value(params_node, "ratio"));
       }
-      // check update parameter values
-      if (tally_value_ != "mean" && tally_value_ != "rel_err") {
-        fatal_error(fmt::format("Unsupported tally value '{}' specified for "
-                                "weight window generation.",
-          tally_value_));
-      }
-      if (threshold_ <= 0.0)
-        fatal_error(
-          fmt::format("Invalid relative error threshold '{}' (<= 0.0) "
-                      "specified for weight window generation",
-            ratio_));
-      if (ratio_ <= 1.0)
-        fatal_error(fmt::format("Invalid weight window ratio '{}' (<= 1.0) "
-                                "specified for weight window generation"));
-    } else {
-      fatal_error(fmt::format(
-        "Unknown weight window update method '{}' specified", method_));
     }
-
-    // create a matching weight windows object
-    auto wws = WeightWindows::create();
-    ww_idx_ = wws->index();
-    if (e_bounds.size() > 0)
-      wws->set_energy_bounds(e_bounds);
-    wws->set_mesh(model::mesh_map[mesh_id]);
-    wws->set_particle_type(particle_type);
-    wws->set_defaults();
-  }
-
-  void WeightWindowsGenerator::update() const
-  {
-    const auto& wws = variance_reduction::weight_windows[ww_idx_];
-
-    Tally* tally = model::tallies[tally_idx_].get();
-
-    // if we're beyond the number of max realizations or not at the corrrect
-    // update interval, skip the update
-    if (max_realizations_ < tally->n_realizations_ ||
-        tally->n_realizations_ % update_interval_ != 0)
-      return;
-
-    wws->update_magic(tally, tally_value_, threshold_, ratio_);
-
-    // if we're not doing on the fly generation, reset the tally results once
-    // we're done with the update
-    if (!on_the_fly_)
-      tally->reset();
-
-    // TODO: deactivate or remove tally once weight window generation is
-    // complete
-  }
-
-  //==============================================================================
-  // C API
-  //==============================================================================
-
-  int verify_ww_index(int32_t index)
-  {
-    if (index < 0 || index >= variance_reduction::weight_windows.size()) {
-      set_errmsg(
-        fmt::format("Index '{}' for weight windows is invalid", index));
-      return OPENMC_E_OUT_OF_BOUNDS;
+    // check update parameter values
+    if (tally_value_ != "mean" && tally_value_ != "rel_err") {
+      fatal_error(fmt::format("Unsupported tally value '{}' specified for "
+                              "weight window generation.",
+        tally_value_));
     }
+    if (threshold_ <= 0.0)
+      fatal_error(fmt::format("Invalid relative error threshold '{}' (<= 0.0) "
+                              "specified for weight window generation",
+        ratio_));
+    if (ratio_ <= 1.0)
+      fatal_error(fmt::format("Invalid weight window ratio '{}' (<= 1.0) "
+                              "specified for weight window generation"));
+  } else {
+    fatal_error(fmt::format(
+      "Unknown weight window update method '{}' specified", method_));
+  }
+
+  // create a matching weight windows object
+  auto wws = WeightWindows::create();
+  ww_idx_ = wws->index();
+  if (e_bounds.size() > 0)
+    wws->set_energy_bounds(e_bounds);
+  wws->set_mesh(model::mesh_map[mesh_id]);
+  wws->set_particle_type(particle_type);
+  wws->set_defaults();
+}
+
+void WeightWindowsGenerator::update() const
+{
+  const auto& wws = variance_reduction::weight_windows[ww_idx_];
+
+  Tally* tally = model::tallies[tally_idx_].get();
+
+  // if we're beyond the number of max realizations or not at the corrrect
+  // update interval, skip the update
+  if (max_realizations_ < tally->n_realizations_ ||
+      tally->n_realizations_ % update_interval_ != 0)
+    return;
+
+  wws->update_magic(tally, tally_value_, threshold_, ratio_);
+
+  // if we're not doing on the fly generation, reset the tally results once
+  // we're done with the update
+  if (!on_the_fly_)
+    tally->reset();
+
+  // TODO: deactivate or remove tally once weight window generation is
+  // complete
+}
+
+//==============================================================================
+// C API
+//==============================================================================
+
+int verify_ww_index(int32_t index)
+{
+  if (index < 0 || index >= variance_reduction::weight_windows.size()) {
+    set_errmsg(fmt::format("Index '{}' for weight windows is invalid", index));
+    return OPENMC_E_OUT_OF_BOUNDS;
+  }
+  return 0;
+}
+
+extern "C" int openmc_get_weight_windows_index(int32_t id, int32_t* idx)
+{
+  auto it = variance_reduction::ww_map.find(id);
+  if (it == variance_reduction::ww_map.end()) {
+    set_errmsg(fmt::format("No weight windows exist with ID={}", id));
+    return OPENMC_E_INVALID_ID;
+  }
+
+  *idx = it->second;
+  return 0;
+}
+
+extern "C" int openmc_weight_windows_get_id(int32_t index, int32_t* id)
+{
+  if (int err = verify_ww_index(index))
+    return err;
+
+  const auto& wws = variance_reduction::weight_windows.at(index);
+  *id = wws->id();
+  return 0;
+}
+
+extern "C" int openmc_weight_windows_set_id(int32_t index, int32_t id)
+{
+  if (int err = verify_ww_index(index))
+    return err;
+
+  const auto& wws = variance_reduction::weight_windows.at(index);
+  wws->set_id(id);
+  return 0;
+}
+
+extern "C" int openmc_weight_windows_update_magic(int32_t ww_idx,
+  int32_t tally_idx, const char* value, double threshold, double ratio)
+{
+  if (int err = verify_ww_index(ww_idx))
+    return err;
+
+  if (tally_idx < 0 || tally_idx >= model::tallies.size()) {
+    set_errmsg(fmt::format("Index '{}' for tally is invalid", tally_idx));
+    return OPENMC_E_OUT_OF_BOUNDS;
+  }
+
+  // get the requested tally
+  const Tally* tally = model::tallies.at(tally_idx).get();
+
+  // get the WeightWindows object
+  const auto& wws = variance_reduction::weight_windows.at(ww_idx);
+
+  wws->update_magic(tally, value, threshold, ratio);
+
+  return 0;
+}
+
+extern "C" int openmc_weight_windows_set_mesh(int32_t ww_idx, int32_t mesh_idx)
+{
+  if (int err = verify_ww_index(ww_idx))
+    return err;
+  const auto& wws = variance_reduction::weight_windows.at(ww_idx);
+  wws->set_mesh(mesh_idx);
+  return 0;
+}
+
+extern "C" int openmc_weight_windows_get_mesh(int32_t ww_idx, int32_t* mesh_idx)
+{
+  if (int err = verify_ww_index(ww_idx))
+    return err;
+  const auto& wws = variance_reduction::weight_windows.at(ww_idx);
+  *mesh_idx = model::mesh_map.at(wws->mesh()->id());
+  return 0;
+}
+
+extern "C" int openmc_weight_windows_set_energy_bounds(
+  int32_t ww_idx, double* e_bounds, size_t e_bounds_size)
+{
+  if (int err = verify_ww_index(ww_idx))
+    return err;
+  const auto& wws = variance_reduction::weight_windows.at(ww_idx);
+  wws->set_energy_bounds({e_bounds, e_bounds_size});
+  return 0;
+}
+
+extern "C" int openmc_weight_windows_get_energy_bounds(
+  int32_t ww_idx, const double** e_bounds, size_t* e_bounds_size)
+{
+  if (int err = verify_ww_index(ww_idx))
+    return err;
+  const auto& wws = variance_reduction::weight_windows[ww_idx].get();
+  *e_bounds = wws->energy_bounds().data();
+  *e_bounds_size = wws->energy_bounds().size();
+  return 0;
+}
+
+extern "C" int openmc_weight_windows_set_particle(int32_t index, int particle)
+{
+  if (int err = verify_ww_index(index))
+    return err;
+
+  const auto& wws = variance_reduction::weight_windows.at(index);
+  wws->set_particle_type(static_cast<ParticleType>(particle));
+  return 0;
+}
+
+extern "C" int openmc_weight_windows_get_particle(int32_t index, int* particle)
+{
+  if (int err = verify_ww_index(index))
+    return err;
+
+  const auto& wws = variance_reduction::weight_windows.at(index);
+  *particle = static_cast<int>(wws->particle_type());
+  return 0;
+}
+
+extern "C" int openmc_weight_windows_get_bounds(int32_t index,
+  const double** lower_bounds, const double** upper_bounds, size_t* size)
+{
+  if (int err = verify_ww_index(index))
+    return err;
+
+  const auto& wws = variance_reduction::weight_windows[index];
+  *size = wws->lower_ww_bounds().size();
+  *lower_bounds = wws->lower_ww_bounds().data();
+  *upper_bounds = wws->upper_ww_bounds().data();
+  return 0;
+}
+
+extern "C" int openmc_weight_windows_set_bounds(int32_t index,
+  const double* lower_bounds, const double* upper_bounds, size_t size)
+{
+  if (int err = verify_ww_index(index))
+    return err;
+
+  const auto& wws = variance_reduction::weight_windows[index];
+  wws->set_bounds({lower_bounds, size}, {upper_bounds, size});
+  return 0;
+}
+
+extern "C" int openmc_extend_weight_windows(
+  int32_t n, int32_t* index_start, int32_t* index_end)
+{
+  if (index_start)
+    *index_start = variance_reduction::weight_windows.size();
+  if (index_end)
+    *index_end = variance_reduction::weight_windows.size() + n - 1;
+  for (int i = 0; i < n; ++i)
+    variance_reduction::weight_windows.push_back(make_unique<WeightWindows>());
+  return 0;
+}
+
+extern "C" size_t openmc_weight_windows_size()
+{
+  return variance_reduction::weight_windows.size();
+}
+
+extern "C" int openmc_weight_windows_export(const char* filename)
+{
+
+  if (!mpi::master)
     return 0;
+
+  std::string name = filename ? filename : "weight_windows.h5";
+
+  write_message(fmt::format("Exporting weight windows to {}...", name), 5);
+
+  hid_t ww_file = file_open(name, 'w');
+
+  // Write file type
+  write_attribute(ww_file, "filetype", "weight_windows");
+
+  // Write revisiion number for state point file
+  write_attribute(ww_file, "version", VERSION_WEIGHT_WINDOWS);
+
+  hid_t weight_windows_group = create_group(ww_file, "weight_windows");
+
+  hid_t mesh_group = create_group(ww_file, "meshes");
+
+  std::vector<int32_t> mesh_ids;
+  std::vector<int32_t> ww_ids;
+  for (const auto& ww : variance_reduction::weight_windows) {
+
+    ww->to_hdf5(weight_windows_group);
+    ww_ids.push_back(ww->id());
+
+    // if the mesh has already been written, move on
+    int32_t mesh_id = ww->mesh()->id();
+    if (std::find(mesh_ids.begin(), mesh_ids.end(), mesh_id) != mesh_ids.end())
+      continue;
+
+    mesh_ids.push_back(mesh_id);
+    ww->mesh()->to_hdf5(mesh_group);
   }
 
-  extern "C" int openmc_get_weight_windows_index(int32_t id, int32_t * idx)
-  {
-    auto it = variance_reduction::ww_map.find(id);
-    if (it == variance_reduction::ww_map.end()) {
-      set_errmsg(fmt::format("No weight windows exist with ID={}", id));
-      return OPENMC_E_INVALID_ID;
-    }
+  write_attribute(mesh_group, "n_meshes", mesh_ids.size());
+  write_attribute(mesh_group, "ids", mesh_ids);
+  close_group(mesh_group);
 
-    *idx = it->second;
-    return 0;
+  write_attribute(weight_windows_group, "n_weight_windows", ww_ids.size());
+  write_attribute(weight_windows_group, "ids", ww_ids);
+  close_group(weight_windows_group);
+
+  file_close(ww_file);
+
+  return 0;
+}
+
+extern "C" int openmc_weight_windows_import(const char* filename)
+{
+  std::string name = filename ? filename : "weight_windows.h5";
+
+  if (mpi::master)
+    write_message(fmt::format("Importing weight windows from {}...", name), 5);
+
+  if (!file_exists(name)) {
+    set_errmsg(fmt::format("File '{}' does not exist", name));
   }
 
-  extern "C" int openmc_weight_windows_get_id(int32_t index, int32_t * id)
-  {
-    if (int err = verify_ww_index(index))
-      return err;
-
-    const auto& wws = variance_reduction::weight_windows.at(index);
-    *id = wws->id();
-    return 0;
-  }
-
-  extern "C" int openmc_weight_windows_set_id(int32_t index, int32_t id)
-  {
-    if (int err = verify_ww_index(index))
-      return err;
-
-    const auto& wws = variance_reduction::weight_windows.at(index);
-    wws->set_id(id);
-    return 0;
-  }
-
-  extern "C" int openmc_weight_windows_update_magic(int32_t ww_idx,
-    int32_t tally_idx, const char* value, double threshold, double ratio)
-  {
-    if (int err = verify_ww_index(ww_idx))
-      return err;
-
-    if (tally_idx < 0 || tally_idx >= model::tallies.size()) {
-      set_errmsg(fmt::format("Index '{}' for tally is invalid", tally_idx));
-      return OPENMC_E_OUT_OF_BOUNDS;
-    }
-
-    // get the requested tally
-    const Tally* tally = model::tallies.at(tally_idx).get();
-
-    // get the WeightWindows object
-    const auto& wws = variance_reduction::weight_windows.at(ww_idx);
-
-    wws->update_magic(tally, value, threshold, ratio);
-
-    return 0;
-  }
-
-  extern "C" int openmc_weight_windows_set_mesh(
-    int32_t ww_idx, int32_t mesh_idx)
-  {
-    if (int err = verify_ww_index(ww_idx))
-      return err;
-    const auto& wws = variance_reduction::weight_windows.at(ww_idx);
-    wws->set_mesh(mesh_idx);
-    return 0;
-  }
-
-  extern "C" int openmc_weight_windows_get_mesh(
-    int32_t ww_idx, int32_t * mesh_idx)
-  {
-    if (int err = verify_ww_index(ww_idx))
-      return err;
-    const auto& wws = variance_reduction::weight_windows.at(ww_idx);
-    *mesh_idx = model::mesh_map.at(wws->mesh()->id());
-    return 0;
-  }
-
-  extern "C" int openmc_weight_windows_set_energy_bounds(
-    int32_t ww_idx, double* e_bounds, size_t e_bounds_size)
-  {
-    if (int err = verify_ww_index(ww_idx))
-      return err;
-    const auto& wws = variance_reduction::weight_windows.at(ww_idx);
-    wws->set_energy_bounds({e_bounds, e_bounds_size});
-    return 0;
-  }
-
-  extern "C" int openmc_weight_windows_get_energy_bounds(
-    int32_t ww_idx, const double** e_bounds, size_t* e_bounds_size)
-  {
-    if (int err = verify_ww_index(ww_idx))
-      return err;
-    const auto& wws = variance_reduction::weight_windows[ww_idx].get();
-    *e_bounds = wws->energy_bounds().data();
-    *e_bounds_size = wws->energy_bounds().size();
-    return 0;
-  }
-
-  extern "C" int openmc_weight_windows_set_particle(int32_t index, int particle)
-  {
-    if (int err = verify_ww_index(index))
-      return err;
-
-    const auto& wws = variance_reduction::weight_windows.at(index);
-    wws->set_particle_type(static_cast<ParticleType>(particle));
-    return 0;
-  }
-
-  extern "C" int openmc_weight_windows_get_particle(
-    int32_t index, int* particle)
-  {
-    if (int err = verify_ww_index(index))
-      return err;
-
-    const auto& wws = variance_reduction::weight_windows.at(index);
-    *particle = static_cast<int>(wws->particle_type());
-    return 0;
-  }
-
-  extern "C" int openmc_weight_windows_get_bounds(int32_t index,
-    const double** lower_bounds, const double** upper_bounds, size_t* size)
-  {
-    if (int err = verify_ww_index(index))
-      return err;
-
-    const auto& wws = variance_reduction::weight_windows[index];
-    *size = wws->lower_ww_bounds().size();
-    *lower_bounds = wws->lower_ww_bounds().data();
-    *upper_bounds = wws->upper_ww_bounds().data();
-    return 0;
-  }
-
-  extern "C" int openmc_weight_windows_set_bounds(int32_t index,
-    const double* lower_bounds, const double* upper_bounds, size_t size)
-  {
-    if (int err = verify_ww_index(index))
-      return err;
-
-    const auto& wws = variance_reduction::weight_windows[index];
-    wws->set_bounds({lower_bounds, size}, {upper_bounds, size});
-    return 0;
-  }
-
-  extern "C" int openmc_extend_weight_windows(
-    int32_t n, int32_t * index_start, int32_t * index_end)
-  {
-    if (index_start)
-      *index_start = variance_reduction::weight_windows.size();
-    if (index_end)
-      *index_end = variance_reduction::weight_windows.size() + n - 1;
-    for (int i = 0; i < n; ++i)
-      variance_reduction::weight_windows.push_back(
-        make_unique<WeightWindows>());
-    return 0;
-  }
-
-  extern "C" size_t openmc_weight_windows_size()
-  {
-    return variance_reduction::weight_windows.size();
-  }
-
-  extern "C" int openmc_weight_windows_export(const char* filename)
-  {
-
-    if (!mpi::master)
-      return 0;
-
-    std::string name = filename ? filename : "weight_windows.h5";
-
-    write_message(fmt::format("Exporting weight windows to {}...", name), 5);
-
-    hid_t ww_file = file_open(name, 'w');
-
-    // Write file type
-    write_attribute(ww_file, "filetype", "weight_windows");
-
-    // Write revisiion number for state point file
-    write_attribute(ww_file, "version", VERSION_WEIGHT_WINDOWS);
-
-    hid_t weight_windows_group = create_group(ww_file, "weight_windows");
-
-    hid_t mesh_group = create_group(ww_file, "meshes");
-
-    std::vector<int32_t> mesh_ids;
-    std::vector<int32_t> ww_ids;
-    for (const auto& ww : variance_reduction::weight_windows) {
-
-      ww->to_hdf5(weight_windows_group);
-      ww_ids.push_back(ww->id());
-
-      // if the mesh has already been written, move on
-      int32_t mesh_id = ww->mesh()->id();
-      if (std::find(mesh_ids.begin(), mesh_ids.end(), mesh_id) !=
-          mesh_ids.end())
-        continue;
-
-      mesh_ids.push_back(mesh_id);
-      ww->mesh()->to_hdf5(mesh_group);
-    }
-
-    write_attribute(mesh_group, "n_meshes", mesh_ids.size());
-    write_attribute(mesh_group, "ids", mesh_ids);
-    close_group(mesh_group);
-
-    write_attribute(weight_windows_group, "n_weight_windows", ww_ids.size());
-    write_attribute(weight_windows_group, "ids", ww_ids);
-    close_group(weight_windows_group);
+  hid_t ww_file = file_open(name, 'r');
 
+  // Check that filetype is correct
+  std::string filetype;
+  read_attribute(ww_file, "filetype", filetype);
+  if (filetype != "weight_windows") {
     file_close(ww_file);
-
-    return 0;
+    set_errmsg(fmt::format("File '{}' is not a weight windows file.", name));
+    return OPENMC_E_INVALID_ARGUMENT;
   }
 
-  extern "C" int openmc_weight_windows_import(const char* filename)
-  {
-    std::string name = filename ? filename : "weight_windows.h5";
-
-    if (mpi::master)
-      write_message(
-        fmt::format("Importing weight windows from {}...", name), 5);
-
-    if (!file_exists(name)) {
-      set_errmsg(fmt::format("File '{}' does not exist", name));
-    }
-
-    hid_t ww_file = file_open(name, 'r');
-
-    // Check that filetype is correct
-    std::string filetype;
-    read_attribute(ww_file, "filetype", filetype);
-    if (filetype != "weight_windows") {
-      file_close(ww_file);
-      set_errmsg(fmt::format("File '{}' is not a weight windows file.", name));
-      return OPENMC_E_INVALID_ARGUMENT;
-    }
-
-    // Check that the file version is compatible
-    std::array<int, 2> file_version;
-    read_attribute(ww_file, "version", file_version);
-    if (file_version[0] != VERSION_WEIGHT_WINDOWS[0]) {
-      std::string err_msg =
-        fmt::format("File '{}' has version {} which is incompatible with the "
-                    "expected version ({}).",
-          name, file_version, VERSION_WEIGHT_WINDOWS);
-      set_errmsg(err_msg);
-      return OPENMC_E_INVALID_ARGUMENT;
-    }
-
-    hid_t weight_windows_group = open_group(ww_file, "weight_windows");
-
-    std::vector<std::string> names = group_names(weight_windows_group);
-
-    for (const auto& name : names) {
-      WeightWindows::from_hdf5(weight_windows_group, name);
-    }
-
-    close_group(weight_windows_group);
-
-    file_close(ww_file);
-
-    return 0;
+  // Check that the file version is compatible
+  std::array<int, 2> file_version;
+  read_attribute(ww_file, "version", file_version);
+  if (file_version[0] != VERSION_WEIGHT_WINDOWS[0]) {
+    std::string err_msg =
+      fmt::format("File '{}' has version {} which is incompatible with the "
+                  "expected version ({}).",
+        name, file_version, VERSION_WEIGHT_WINDOWS);
+    set_errmsg(err_msg);
+    return OPENMC_E_INVALID_ARGUMENT;
   }
 
+  hid_t weight_windows_group = open_group(ww_file, "weight_windows");
+
+  std::vector<std::string> names = group_names(weight_windows_group);
+
+  for (const auto& name : names) {
+    WeightWindows::from_hdf5(weight_windows_group, name);
+  }
+
+  close_group(weight_windows_group);
+
+  file_close(ww_file);
+
+  return 0;
+}
+
 } // namespace openmc

From 19e4c370e53548c7929abcaa6616ab06bf244ebb Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Sun, 25 Jun 2023 13:59:47 -0500
Subject: [PATCH 1881/2654] Remove use of mgxs module in MicroXS.from_model
 (#2572)

Co-authored-by: Olek <45364492+yardasol@users.noreply.github.com>
---
 openmc/deplete/microxs.py | 65 ++++++++++++++++++++++++---------------
 1 file changed, 41 insertions(+), 24 deletions(-)

diff --git a/openmc/deplete/microxs.py b/openmc/deplete/microxs.py
index 67f6bf49d..535f06a2c 100644
--- a/openmc/deplete/microxs.py
+++ b/openmc/deplete/microxs.py
@@ -7,13 +7,12 @@ nuclide names as row indices and reaction names as column indices.
 import tempfile
 from copy import deepcopy
 
-from pandas import DataFrame, read_csv
+from pandas import DataFrame, read_csv, Series
 import numpy as np
 
 from openmc.checkvalue import check_type, check_value, check_iterable_type
 from openmc.exceptions import DataError
-from openmc.mgxs import EnergyGroups, ArbitraryXS, FissionXS
-from openmc import Tallies, StatePoint, Materials
+from openmc import StatePoint, Materials
 import openmc
 from .chain import Chain, REACTIONS
 from .coupled_operator import _find_cross_sections, _get_nuclides_with_data
@@ -67,26 +66,36 @@ class MicroXS(DataFrame):
             Cross section data in [b]
 
         """
-        groups = EnergyGroups(energy_bounds)
-
         # Set up the reaction tallies
         original_tallies = model.tallies
         original_materials = deepcopy(model.materials)
-        tallies = Tallies()
         xs = {}
-        reactions, diluted_materials = cls._add_dilute_nuclides(chain_file,
-                                                                model,
-                                                                dilute_initial)
+        reactions, burnable_nucs, diluted_materials = cls._add_dilute_nuclides(
+            chain_file, model, dilute_initial)
         model.materials = diluted_materials
 
-        for rx in reactions:
-            if rx == 'fission':
-                xs[rx] = FissionXS(domain=reaction_domain,
-                                   energy_groups=groups, by_nuclide=True)
-            else:
-                xs[rx] = ArbitraryXS(rx, domain=reaction_domain,
-                                     energy_groups=groups, by_nuclide=True)
-            tallies += xs[rx].tallies.values()
+        energy_filter = openmc.EnergyFilter(energy_bounds)
+        if isinstance(reaction_domain, openmc.Material):
+            domain_filter = openmc.MaterialFilter([reaction_domain])
+        elif isinstance(reaction_domain, openmc.Cell):
+            domain_filter = openmc.CellFilter([reaction_domain])
+        elif isinstance(reaction_domain, openmc.Universe):
+            domain_filter = openmc.UniverseFilter([reaction_domain])
+        else:
+            raise ValueError(f"Unsupported domain type: {type(reaction_domain)}")
+
+        # TODO: Right now, we use all nuclides from the material but it probably
+        # should be based on the burnable nuclides
+        rr_tally = openmc.Tally(name='MicroXS RR')
+        rr_tally.filters = [domain_filter, energy_filter]
+        rr_tally.nuclides = reaction_domain.get_nuclides()
+        rr_tally.multiply_density = False
+        rr_tally.scores = reactions
+
+        flux_tally = openmc.Tally(name='MicroXS flux')
+        flux_tally.filters = [domain_filter, energy_filter]
+        flux_tally.scores = ['flux']
+        tallies = openmc.Tallies([rr_tally, flux_tally])
 
         model.tallies = tallies
 
@@ -98,14 +107,22 @@ class MicroXS(DataFrame):
             statepoint_path = model.run(**run_kwargs)
 
             with StatePoint(statepoint_path) as sp:
-                for rx in xs:
-                    xs[rx].load_from_statepoint(sp)
+                rr_tally = sp.tallies[rr_tally.id]
+                rr_tally._read_results()
+                flux_tally = sp.tallies[flux_tally.id]
+                flux_tally._read_results()
 
-        # Build the DataFrame
+        # Get reaction rates and flux values
+        reaction_rates = rr_tally.mean.sum(axis=0)  # (nuclides, reactions)
+        flux = flux_tally.mean[0, 0, 0]
+
+        # Divide RR by flux to get microscopic cross sections
+        xs = reaction_rates / flux
+
+        # Build Series objects
         series = {}
-        for rx in xs:
-            df = xs[rx].get_pandas_dataframe(xs_type='micro')
-            series[rx] = df.set_index('nuclide')['mean']
+        for i, rx in enumerate(reactions):
+            series[rx] = Series(xs[..., i], index=rr_tally.nuclides)
 
         # Revert to the original tallies and materials
         model.tallies = original_tallies
@@ -170,7 +187,7 @@ class MicroXS(DataFrame):
                                                      dilute_density)
             diluted_materials.append(material)
 
-        return reactions, diluted_materials
+        return reactions, burnable_nucs, diluted_materials
 
     @classmethod
     def from_array(cls, nuclides, reactions, data):

From f200e446aac1d720b2901bb8223f22151f77dd5a Mon Sep 17 00:00:00 2001
From: Olek <45364492+yardasol@users.noreply.github.com>
Date: Mon, 26 Jun 2023 14:23:32 +0200
Subject: [PATCH 1882/2654] Allow transfer rates with nuclides. (#2564)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
Co-authored-by: Lorenzo Chierici <l.chierici89@gmail.com>
---
 openmc/deplete/abc.py                         | 10 +-
 openmc/deplete/chain.py                       |  7 +-
 openmc/deplete/transfer_rates.py              | 98 ++++++++++++-------
 .../unit_tests/test_deplete_transfer_rates.py | 79 +++++++++++----
 4 files changed, 139 insertions(+), 55 deletions(-)

diff --git a/openmc/deplete/abc.py b/openmc/deplete/abc.py
index e62cc2b5e..ae0d86027 100644
--- a/openmc/deplete/abc.py
+++ b/openmc/deplete/abc.py
@@ -818,7 +818,7 @@ class Integrator(ABC):
 
         self.operator.finalize()
 
-    def add_transfer_rate(self, material, elements, transfer_rate,
+    def add_transfer_rate(self, material, components, transfer_rate,
                          transfer_rate_units='1/s', destination_material=None):
         """Add transfer rates to depletable material.
 
@@ -826,8 +826,10 @@ class Integrator(ABC):
         ----------
         material : openmc.Material or str or int
             Depletable material
-        elements : list of str
-            List of strings of elements that share transfer rate
+        components : list of str
+            List of strings of elements and/or nuclides that share transfer rate.
+            A transfer rate for a nuclide cannot be added to a material
+            alongside a transfer rate for its element and vice versa.
         transfer_rate : float
             Rate at which elements are transferred. A positive or negative values
             set removal of feed rates, respectively.
@@ -841,7 +843,7 @@ class Integrator(ABC):
         if self.transfer_rates is None:
             self.transfer_rates = TransferRates(self.operator, self.operator.model)
 
-        self.transfer_rates.set_transfer_rate(material, elements, transfer_rate,
+        self.transfer_rates.set_transfer_rate(material, components, transfer_rate,
                                       transfer_rate_units, destination_material)
 
 @add_params
diff --git a/openmc/deplete/chain.py b/openmc/deplete/chain.py
index 63fde6983..51fb0ad9c 100644
--- a/openmc/deplete/chain.py
+++ b/openmc/deplete/chain.py
@@ -724,8 +724,11 @@ class Chain:
             # Build transfer terms matrices
             if isinstance(materials, str):
                 material = materials
-                if element in transfer_rates.get_elements(material):
+                components = transfer_rates.get_components(material)
+                if element in components:
                     matrix[i, i] = transfer_rates.get_transfer_rate(material, element)
+                elif nuclide.name in components:
+                    matrix[i, i] = transfer_rates.get_transfer_rate(material, nuclide.name)
                 else:
                     matrix[i, i] = 0.0
             #Build transfer terms matrices
@@ -733,6 +736,8 @@ class Chain:
                 destination_material, material = materials
                 if transfer_rates.get_destination_material(material, element) == destination_material:
                     matrix[i, i] = transfer_rates.get_transfer_rate(material, element)
+                elif transfer_rates.get_destination_material(material, nuclide.name) == destination_material:
+                    matrix[i, i] = transfer_rates.get_transfer_rate(material, nuclide.name)
                 else:
                     matrix[i, i] = 0.0
             #Nothing else is allowed
diff --git a/openmc/deplete/transfer_rates.py b/openmc/deplete/transfer_rates.py
index fe21d7d6f..ad75c6c20 100644
--- a/openmc/deplete/transfer_rates.py
+++ b/openmc/deplete/transfer_rates.py
@@ -1,4 +1,5 @@
 from numbers import Real
+import re
 
 from openmc.checkvalue import check_type, check_value
 from openmc import Material
@@ -33,7 +34,8 @@ class TransferRates:
     local_mats : list of str
         All burnable material IDs being managed by a single process
     transfer_rates : dict of str to dict
-        Container of transfer rates, elements and destination material
+        Container of transfer rates, components (elements and/or nuclides) and
+        destination material
     index_transfer : Set of pair of str
         Pair of strings needed to build final matrix (destination_material, mat)
     """
@@ -77,15 +79,15 @@ class TransferRates:
 
         return str(val)
 
-    def get_transfer_rate(self, material, element):
+    def get_transfer_rate(self, material, component):
         """Return transfer rate for given material and element.
 
         Parameters
         ----------
         material : openmc.Material or str or int
             Depletable material
-        element : str
-            Element to get transfer rate value
+        component : str
+            Element or nuclide to get transfer rate value
 
         Returns
         -------
@@ -94,33 +96,34 @@ class TransferRates:
 
         """
         material_id = self._get_material_id(material)
-        check_value('element', element, ELEMENT_SYMBOL.values())
-        return self.transfer_rates[material_id][element][0]
+        check_type('component', component, str)
+        return self.transfer_rates[material_id][component][0]
 
-    def get_destination_material(self, material, element):
-        """Return destination (or transfer) material for given material and
-        element, if defined.
+    def get_destination_material(self, material, component):
+        """Return destination material for given material and
+        component, if defined.
 
         Parameters
         ----------
         material : openmc.Material or str or int
             Depletable material
-        element : str
-            Element that gets transferred to another material.
+        component : str
+            Element or nuclide that gets transferred to another material.
 
         Returns
         -------
         destination_material_id : str
-            Depletable material ID to where the element gets transferred
+            Depletable material ID to where the element or nuclide gets
+            transferred
 
         """
         material_id = self._get_material_id(material)
-        check_value('element', element, ELEMENT_SYMBOL.values())
-        if element in self.transfer_rates[material_id]:
-            return self.transfer_rates[material_id][element][1]
+        check_type('component', component, str)
+        if component in self.transfer_rates[material_id]:
+            return self.transfer_rates[material_id][component][1]
 
-    def get_elements(self, material):
-        """Extract removing elements for a given material
+    def get_components(self, material):
+        """Extract removing elements and/or nuclides for a given material
 
         Parameters
         ----------
@@ -130,35 +133,38 @@ class TransferRates:
         Returns
         -------
         elements : list
-            List of elements where transfer rates exist
+            List of elements and nuclides where transfer rates exist
 
         """
         material_id = self._get_material_id(material)
         if material_id in self.transfer_rates:
             return self.transfer_rates[material_id].keys()
 
-    def set_transfer_rate(self, material, elements, transfer_rate, transfer_rate_units='1/s',
-                         destination_material=None):
-        """Set element transfer rates in a depletable material.
+    def set_transfer_rate(self, material, components, transfer_rate,
+                          transfer_rate_units='1/s', destination_material=None):
+        """Set element and/or nuclide transfer rates in a depletable material.
 
         Parameters
         ----------
         material : openmc.Material or str or int
             Depletable material
-        elements : list of str
-            List of strings of elements that share transfer rate
+        components : list of str
+            List of strings of elements and/or nuclides that share transfer rate.
+            Cannot add transfer rates for nuclides to a material where a
+            transfer rate for its element is specified and vice versa.
         transfer_rate : float
-            Rate at which elements are transferred. A positive or negative values
-            set removal of feed rates, respectively.
+            Rate at which elements and/or nuclides are transferred. A positive or
+            negative value corresponds to a removal or feed rate, respectively.
         destination_material : openmc.Material or str or int, Optional
             Destination material to where nuclides get fed.
         transfer_rate_units : {'1/s', '1/min', '1/h', '1/d', '1/a'}
-            Units for values specified in the transfer_rate argument. 's' means
-            seconds, 'min' means minutes, 'h' means hours, 'a' means Julian years.
+            Units for values specified in the transfer_rate argument. 's' for
+            seconds, 'min' for minutes, 'h' for hours, 'a' for Julian years.
 
         """
         material_id = self._get_material_id(material)
         check_type('transfer_rate', transfer_rate, Real)
+        check_type('components', components, list, expected_iter_type=str)
 
         if destination_material is not None:
             destination_material_id = self._get_material_id(destination_material)
@@ -166,8 +172,9 @@ class TransferRates:
                 check_value('destination_material', str(destination_material_id),
                             self.burnable_mats)
             else:
-                raise ValueError(f'Transfer to material {destination_material_id} '\
-                        'is set, but there is only one depletable material')
+                raise ValueError('Transfer to material '
+                                 f'{destination_material_id} is set, but there '
+                                 'is only one depletable material')
         else:
             destination_material_id = None
 
@@ -182,10 +189,35 @@ class TransferRates:
         elif transfer_rate_units in ('1/a', '1/year'):
             unit_conv = 365.25*24*60*60
         else:
-            raise ValueError("Invalid transfer rate unit '{}'".format(transfer_rate_units))
+            raise ValueError('Invalid transfer rate unit '
+                             f'"{transfer_rate_units}"')
 
-        for element in elements:
-            check_value('element', element, ELEMENT_SYMBOL.values())
-            self.transfer_rates[material_id][element] = transfer_rate / unit_conv, destination_material_id
+        for component in components:
+            current_components = self.transfer_rates[material_id].keys()
+            split_component = re.split(r'\d+', component)
+            element = split_component[0]
+            if element not in ELEMENT_SYMBOL.values():
+                raise ValueError(f'{component} is not a valid nuclide or '
+                                 'element.')
+            else:
+                if len(split_component) == 1:
+                    element_nucs = [c for c in current_components
+                                    if re.match(component + r'\d', c)]
+                    if len(element_nucs) > 0:
+                        nuc_str = ", ".join(element_nucs)
+                        raise ValueError('Cannot add transfer rate for element '
+                                         f'{component} to material {material_id} '
+                                         f'with transfer rate(s) for nuclide(s) '
+                                         f'{nuc_str}.')
+
+                else:
+                    if element in current_components:
+                        raise ValueError('Cannot add transfer rate for nuclide '
+                                         f'{component} to material {material_id} '
+                                         f'where element {element} already has '
+                                         'a transfer rate.')
+
+            self.transfer_rates[material_id][component] = \
+                transfer_rate / unit_conv, destination_material_id
             if destination_material_id is not None:
                 self.index_transfer.add((destination_material_id, material_id))
diff --git a/tests/unit_tests/test_deplete_transfer_rates.py b/tests/unit_tests/test_deplete_transfer_rates.py
index 1572755c2..35f2502df 100644
--- a/tests/unit_tests/test_deplete_transfer_rates.py
+++ b/tests/unit_tests/test_deplete_transfer_rates.py
@@ -45,29 +45,73 @@ def model():
 
     return openmc.Model(geometry, materials, settings)
 
-
-def test_get_set(model):
+@pytest.mark.parametrize("case_name, transfer_rates", [
+    ('elements', {'U': 0.01, 'Xe': 0.1}),
+    ('nuclides', {'I135': 0.01, 'Gd156': 0.1, 'Gd157': 0.01}),
+    ('nuclides_elements', {'I135': 0.01, 'Gd156': 0.1, 'Gd157': 0.01, 'U': 0.01,
+                           'Xe': 0.1}),
+    ('elements_nuclides', {'U': 0.01, 'Xe': 0.1, 'I135': 0.01, 'Gd156': 0.1,
+                           'Gd157': 0.01}),
+    ('rates_invalid_1', {'Gd': 0.01, 'Gd157': 0.01, 'Gd156': 0.01}),
+    ('rates_invalid_2', {'Gd156': 0.01, 'Gd157': 0.01, 'Gd': 0.01}),
+    ('rates_invalid_3', {'Gb156': 0.01}),
+    ('rates_invalid_4', {'Gb': 0.01})
+    ])
+def test_get_set(model, case_name, transfer_rates):
     """Tests the get/set methods"""
 
-    # create transfer rates for U and Xe
-    transfer_rates = {'U': 0.01, 'Xe': 0.1}
     op = CoupledOperator(model, CHAIN_PATH)
     transfer = TransferRates(op, model)
 
     # Test by Openmc material, material name and material id
     material, dest_material = [m for m in model.materials if m.depletable]
-
     for material_input in [material, material.name, material.id]:
         for dest_material_input in [dest_material, dest_material.name,
                                     dest_material.id]:
-            for element, transfer_rate in transfer_rates.items():
-                transfer.set_transfer_rate(material_input, [element], transfer_rate,
-                                 destination_material=dest_material_input)
-                assert transfer.get_transfer_rate(material_input,
-                                            element) == transfer_rate
-                assert transfer.get_destination_material(material_input,
-                                                    element) == str(dest_material.id)
-            assert transfer.get_elements(material_input) == transfer_rates.keys()
+            if case_name == 'rates_invalid_1':
+                with pytest.raises(ValueError, match='Cannot add transfer '
+                                    'rate for nuclide Gd157 to material 1 '
+                                    'where element Gd already has a '
+                                    'transfer rate.'):
+                    for component, transfer_rate in transfer_rates.items():
+                        transfer.set_transfer_rate(material_input,
+                                                   [component],
+                                                   transfer_rate)
+            elif case_name == 'rates_invalid_2':
+                with pytest.raises(ValueError, match='Cannot add transfer '
+                                    f'rate for element Gd to material 1 with '
+                                   'transfer rate\(s\) for nuclide\(s\) '
+                                   'Gd156, Gd157.'):
+                    for component, transfer_rate in transfer_rates.items():
+                        transfer.set_transfer_rate(material_input,
+                                                   [component],
+                                                   transfer_rate)
+            elif case_name == 'rates_invalid_3':
+                with pytest.raises(ValueError, match='Gb156 is not a valid '
+                                   'nuclide or element.'):
+                    for component, transfer_rate in transfer_rates.items():
+                        transfer.set_transfer_rate(material_input,
+                                                   [component],
+                                                   transfer_rate)
+            elif case_name == 'rates_invalid_4':
+                with pytest.raises(ValueError, match='Gb is not a valid '
+                                   'nuclide or element.'):
+                    for component, transfer_rate in transfer_rates.items():
+                        transfer.set_transfer_rate(material_input,
+                                                   [component],
+                                                   transfer_rate)
+            else:
+                for component, transfer_rate in transfer_rates.items():
+                    transfer.set_transfer_rate(material_input, [component],
+                                               transfer_rate,
+                                               destination_material=\
+                                               dest_material_input)
+                    assert transfer.get_transfer_rate(
+                        material_input, component) == transfer_rate
+                    assert transfer.get_destination_material(
+                        material_input, component) == str(dest_material.id)
+                assert transfer.get_components(material_input) == \
+                    transfer_rates.keys()
 
 
 @pytest.mark.parametrize("transfer_rate_units, unit_conv", [
@@ -86,14 +130,15 @@ def test_get_set(model):
 def test_units(transfer_rate_units, unit_conv, model):
     """ Units testing"""
     # create transfer rate Xe
-    element = 'Xe'
+    components = ['Xe', 'U235']
     transfer_rate = 1e-5
     op = CoupledOperator(model, CHAIN_PATH)
     transfer = TransferRates(op, model)
 
-    transfer.set_transfer_rate('f', [element], transfer_rate * unit_conv,
-                         transfer_rate_units=transfer_rate_units)
-    assert transfer.get_transfer_rate('f', element) == transfer_rate
+    for component in components:
+        transfer.set_transfer_rate('f', [component], transfer_rate * unit_conv,
+                                   transfer_rate_units=transfer_rate_units)
+        assert transfer.get_transfer_rate('f', component) == transfer_rate
 
 
 def test_transfer(run_in_tmpdir, model):

From 51cf475723339f619bd119c6da635385ef2d26ae Mon Sep 17 00:00:00 2001
From: Olek <45364492+yardasol@users.noreply.github.com>
Date: Mon, 26 Jun 2023 15:11:41 +0200
Subject: [PATCH 1883/2654] Add `get_mass()` function to
 `openmc.deplete.Results` (#2565)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/deplete/results.py                    | 54 ++++++++++++++++++++
 tests/unit_tests/test_deplete_resultslist.py | 29 +++++++++++
 2 files changed, 83 insertions(+)

diff --git a/openmc/deplete/results.py b/openmc/deplete/results.py
index 9cc3b439a..f250ab363 100644
--- a/openmc/deplete/results.py
+++ b/openmc/deplete/results.py
@@ -10,6 +10,7 @@ import numpy as np
 
 from .stepresult import StepResult, VERSION_RESULTS
 import openmc.checkvalue as cv
+from openmc.data import atomic_mass, AVOGADRO
 from openmc.data.library import DataLibrary
 from openmc.material import Material, Materials
 from openmc.exceptions import DataError
@@ -157,6 +158,59 @@ class Results(list):
 
         return times, concentrations
 
+    def get_mass(self,
+        mat: typing.Union[Material, str],
+        nuc: str,
+        mass_units: str = "g",
+        time_units: str = "s"
+    ) -> Tuple[np.ndarray, np.ndarray]:
+        """Get mass of nuclides over time from a single material
+
+        .. versionadded:: 0.13.4
+
+        Parameters
+        ----------
+        mat : openmc.Material, str
+            Material object or material id to evaluate
+        nuc : str
+            Nuclide name to evaluate
+        mass_units : {"g", "g/cm3", "kg"}, optional
+            Units for the returned mass.
+        time_units : {"s", "min", "h", "d", "a"}, optional
+            Units for the returned time array. Default is ``"s"`` to
+            return the value in seconds. Other options are minutes ``"min"``,
+            hours ``"h"``, days ``"d"``, and Julian years ``"a"``.
+
+        Returns
+        -------
+        times : numpy.ndarray
+            Array of times in units of ``time_units``
+        mass : numpy.ndarray
+            Mass of specified nuclide in units of ``mass_units``
+
+        """
+        cv.check_value("mass_units", mass_units, {"g", "g/cm3", "kg"})
+
+        if isinstance(mat, Material):
+            mat_id = str(mat.id)
+        elif isinstance(mat, str):
+            mat_id = mat
+        else:
+            raise TypeError('mat should be of type openmc.Material or str')
+
+        times, atoms = self.get_atoms(mat, nuc, time_units=time_units)
+
+        mass = atoms * atomic_mass(nuc) / AVOGADRO
+
+        # Unit conversions
+        if mass_units == "g/cm3":
+            # Divide by volume to get density
+            mass /= self[0].volume[mat_id]
+        elif mass_units == "kg":
+            mass *= 1e3
+
+        return times, mass
+
     def get_reaction_rate(
         self,
         mat: typing.Union[Material, str],
diff --git a/tests/unit_tests/test_deplete_resultslist.py b/tests/unit_tests/test_deplete_resultslist.py
index 6e4a4210b..457a6fea2 100644
--- a/tests/unit_tests/test_deplete_resultslist.py
+++ b/tests/unit_tests/test_deplete_resultslist.py
@@ -43,6 +43,35 @@ def test_get_atoms(res):
     assert t_hour == pytest.approx(t_ref / (60 * 60))
 
 
+def test_get_mass(res):
+    """Tests evaluating single nuclide concentration."""
+    t, n = res.get_mass("1", "Xe135")
+
+    t_ref = np.array([0.0, 1296000.0, 2592000.0, 3888000.0])
+    n_ref = np.array(
+        [6.67473282e+08, 3.88942731e+14, 3.73091215e+14, 3.26987387e+14])
+
+    # Get g
+    n_ref *= openmc.data.atomic_mass('Xe135') / openmc.data.AVOGADRO
+
+    np.testing.assert_allclose(t, t_ref)
+    np.testing.assert_allclose(n, n_ref)
+
+    # Check alternate units
+    volume = res[0].volume["1"]
+    t_days, n_cm3 = res.get_mass("1", "Xe135", mass_units="g/cm3", time_units="d")
+
+    assert t_days == pytest.approx(t_ref / (60 * 60 * 24))
+    assert n_cm3 == pytest.approx(n_ref / volume)
+
+    t_min, n_bcm = res.get_mass("1", "Xe135", mass_units="kg", time_units="min")
+    assert n_bcm == pytest.approx(n_ref * 1e3)
+    assert t_min == pytest.approx(t_ref / 60)
+
+    t_hour, _n = res.get_mass("1", "Xe135", time_units="h")
+    assert t_hour == pytest.approx(t_ref / (60 * 60))
+
+
 def test_get_reaction_rate(res):
     """Tests evaluating reaction rate."""
     t, r = res.get_reaction_rate("1", "Xe135", "(n,gamma)")

From b6c621f9b4bac7badbcffb71fe2b8e45d8e7c798 Mon Sep 17 00:00:00 2001
From: Jack Fletcher <115663563+j-fletcher@users.noreply.github.com>
Date: Wed, 28 Jun 2023 18:57:44 -0400
Subject: [PATCH 1884/2654] Change "update_params" to "update_parameters" in
 test suite: test_ww_gen.py (#2577)

---
 tests/unit_tests/weightwindows/test_ww_gen.py | 6 +++---
 1 file changed, 3 insertions(+), 3 deletions(-)

diff --git a/tests/unit_tests/weightwindows/test_ww_gen.py b/tests/unit_tests/weightwindows/test_ww_gen.py
index a5f65ff61..a1aaca5b0 100644
--- a/tests/unit_tests/weightwindows/test_ww_gen.py
+++ b/tests/unit_tests/weightwindows/test_ww_gen.py
@@ -229,9 +229,9 @@ def test_ww_gen_roundtrip(run_in_tmpdir, model):
     particle_type = 'neutron'
 
     wwg = openmc.WeightWindowGenerator(mesh, energy_bounds, particle_type)
-    wwg.update_params = {'ratio' : 5.0,
-                         'threshold': 0.8,
-                         'value' : 'mean'}
+    wwg.update_parameters = {'ratio' : 5.0,
+                             'threshold': 0.8,
+                             'value' : 'mean'}
 
     model.settings.weight_window_generators = wwg
     model.export_to_xml()

From 36f229eb01de0a8cb7d482d9a9b7a2f2c615f3f5 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 29 Jun 2023 04:06:35 -0500
Subject: [PATCH 1885/2654] Remove initial dilute nuclides in MicroXS (#2579)

---
 openmc/deplete/microxs.py                     | 125 ++++++------------
 tests/regression_tests/microxs/test.py        |   9 +-
 .../microxs/test_reference.csv                |  24 ++--
 3 files changed, 57 insertions(+), 101 deletions(-)

diff --git a/openmc/deplete/microxs.py b/openmc/deplete/microxs.py
index 535f06a2c..050389cc2 100644
--- a/openmc/deplete/microxs.py
+++ b/openmc/deplete/microxs.py
@@ -5,14 +5,13 @@ nuclide names as row indices and reaction names as column indices.
 """
 
 import tempfile
-from copy import deepcopy
 
 from pandas import DataFrame, read_csv, Series
 import numpy as np
 
 from openmc.checkvalue import check_type, check_value, check_iterable_type
 from openmc.exceptions import DataError
-from openmc import StatePoint, Materials
+from openmc import StatePoint
 import openmc
 from .chain import Chain, REACTIONS
 from .coupled_operator import _find_cross_sections, _get_nuclides_with_data
@@ -31,9 +30,10 @@ class MicroXS(DataFrame):
     @classmethod
     def from_model(cls,
                    model,
-                   reaction_domain,
+                   domain,
+                   nuclides=None,
+                   reactions=None,
                    chain_file=None,
-                   dilute_initial=1.0e3,
                    energy_bounds=(0, 20e6),
                    run_kwargs=None):
         """Generate a one-group cross-section dataframe using OpenMC.
@@ -44,17 +44,19 @@ class MicroXS(DataFrame):
         ----------
         model : openmc.Model
             OpenMC model object. Must contain geometry, materials, and settings.
-        reaction_domain : openmc.Material or openmc.Cell or openmc.Universe or openmc.RegularMesh
+        domain : openmc.Material or openmc.Cell or openmc.Universe
             Domain in which to tally reaction rates.
+        nuclides : list of str
+            Nuclides to get cross sections for. If not specified, all burnable
+            nuclides from the depletion chain file are used.
+        reactions : list of str
+            Reactions to get cross sections for. If not specified, all neutron
+            reactions listed in the depletion chain file are used.
         chain_file : str, optional
             Path to the depletion chain XML file that will be used in depletion
             simulation. Used to determine cross sections for materials not
             present in the inital composition. Defaults to
             ``openmc.config['chain_file']``.
-        dilute_initial : float, optional
-            Initial atom density [atoms/cm^3] to add for nuclides that
-            are zero in initial condition to ensure they exist in the cross
-            section data. Only done for nuclides with reaction rates.
         energy_bound : 2-tuple of float, optional
             Bounds for the energy group.
         run_kwargs : dict, optional
@@ -66,29 +68,40 @@ class MicroXS(DataFrame):
             Cross section data in [b]
 
         """
-        # Set up the reaction tallies
+        # Save any original tallies on the model
         original_tallies = model.tallies
-        original_materials = deepcopy(model.materials)
-        xs = {}
-        reactions, burnable_nucs, diluted_materials = cls._add_dilute_nuclides(
-            chain_file, model, dilute_initial)
-        model.materials = diluted_materials
 
+        # Determine what reactions and nuclides are available in chain
+        if chain_file is None:
+            chain_file = openmc.config.get('chain_file')
+            if chain_file is None:
+                raise DataError(
+                    "No depletion chain specified and could not find depletion "
+                    "chain in openmc.config['chain_file']"
+                )
+        chain = Chain.from_xml(chain_file)
+        if reactions is None:
+            reactions = chain.reactions
+        if not nuclides:
+            cross_sections = _find_cross_sections(model)
+            nuclides_with_data = _get_nuclides_with_data(cross_sections)
+            nuclides = [nuc.name for nuc in chain.nuclides
+                        if nuc.name in nuclides_with_data]
+
+        # Set up the reaction rate and flux tallies
         energy_filter = openmc.EnergyFilter(energy_bounds)
-        if isinstance(reaction_domain, openmc.Material):
-            domain_filter = openmc.MaterialFilter([reaction_domain])
-        elif isinstance(reaction_domain, openmc.Cell):
-            domain_filter = openmc.CellFilter([reaction_domain])
-        elif isinstance(reaction_domain, openmc.Universe):
-            domain_filter = openmc.UniverseFilter([reaction_domain])
+        if isinstance(domain, openmc.Material):
+            domain_filter = openmc.MaterialFilter([domain])
+        elif isinstance(domain, openmc.Cell):
+            domain_filter = openmc.CellFilter([domain])
+        elif isinstance(domain, openmc.Universe):
+            domain_filter = openmc.UniverseFilter([domain])
         else:
-            raise ValueError(f"Unsupported domain type: {type(reaction_domain)}")
+            raise ValueError(f"Unsupported domain type: {type(domain)}")
 
-        # TODO: Right now, we use all nuclides from the material but it probably
-        # should be based on the burnable nuclides
         rr_tally = openmc.Tally(name='MicroXS RR')
         rr_tally.filters = [domain_filter, energy_filter]
-        rr_tally.nuclides = reaction_domain.get_nuclides()
+        rr_tally.nuclides = nuclides
         rr_tally.multiply_density = False
         rr_tally.scores = reactions
 
@@ -126,68 +139,8 @@ class MicroXS(DataFrame):
 
         # Revert to the original tallies and materials
         model.tallies = original_tallies
-        model.materials = original_materials
 
-        return cls(series)
-
-    @classmethod
-    def _add_dilute_nuclides(cls, chain_file, model, dilute_initial):
-        """
-        Add nuclides not present in burnable materials that have neutron data
-        and are present in the depletion chain to those materials. This allows
-        us to tally those specific nuclides for reactions to create one-group
-        cross sections.
-
-        Parameters
-        ----------
-        chain_file : str
-            Path to the depletion chain XML file that will be used in depletion
-            simulation. Used to determine cross sections for materials not
-            present in the inital composition.
-        model : openmc.Model
-            Model object
-        dilute_initial : float
-            Initial atom density [atoms/cm^3] to add for nuclides that
-            are zero in initial condition to ensure they exist in the cross
-            section data. Only done for nuclides with reaction rates.
-
-        Returns
-        -------
-        reactions : list of str
-            List of reaction names
-        diluted_materials : openmc.Materials
-            :class:`openmc.Materials` object with nuclides added to burnable
-            materials.
-        """
-        if chain_file is None:
-            chain_file = openmc.config.get('chain_file')
-            if chain_file is None:
-                raise DataError(
-                    "No depletion chain specified and could not find depletion "
-                    "chain in openmc.config['chain_file']"
-                )
-        chain = Chain.from_xml(chain_file)
-        reactions = chain.reactions
-        cross_sections = _find_cross_sections(model)
-        nuclides_with_data = _get_nuclides_with_data(cross_sections)
-        burnable_nucs = [nuc.name for nuc in chain.nuclides
-                         if nuc.name in nuclides_with_data]
-        diluted_materials = Materials()
-        for material in model.materials:
-            if material.depletable:
-                nuc_densities = material.get_nuclide_atom_densities()
-                dilute_density = 1.0e-24 * dilute_initial
-                material.set_density('sum')
-                for nuc, density in nuc_densities.items():
-                    material.remove_nuclide(nuc)
-                    material.add_nuclide(nuc, density)
-                for burn_nuc in burnable_nucs:
-                    if burn_nuc not in nuc_densities:
-                        material.add_nuclide(burn_nuc,
-                                                     dilute_density)
-            diluted_materials.append(material)
-
-        return reactions, burnable_nucs, diluted_materials
+        return cls(series).rename_axis('nuclide')
 
     @classmethod
     def from_array(cls, nuclides, reactions, data):
diff --git a/tests/regression_tests/microxs/test.py b/tests/regression_tests/microxs/test.py
index f92f61479..3d67ee8a3 100644
--- a/tests/regression_tests/microxs/test.py
+++ b/tests/regression_tests/microxs/test.py
@@ -40,14 +40,17 @@ def model():
 
     settings = openmc.Settings()
     settings.particles = 1000
-    settings.inactive = 10
-    settings.batches = 50
+    settings.inactive = 5
+    settings.batches = 10
 
     return openmc.Model(geometry, materials, settings)
 
 
 def test_from_model(model):
-    test_xs = MicroXS.from_model(model, model.materials[0], CHAIN_FILE)
+    fuel = model.materials[0]
+    nuclides = ['U234', 'U235', 'U238', 'U236', 'O16', 'O17', 'I135', 'Xe135',
+                'Xe136', 'Cs135', 'Gd157', 'Gd156']
+    test_xs = MicroXS.from_model(model, fuel, nuclides, chain_file=CHAIN_FILE)
     if config['update']:
         test_xs.to_csv('test_reference.csv')
 
diff --git a/tests/regression_tests/microxs/test_reference.csv b/tests/regression_tests/microxs/test_reference.csv
index 1804551eb..0fc41862d 100644
--- a/tests/regression_tests/microxs/test_reference.csv
+++ b/tests/regression_tests/microxs/test_reference.csv
@@ -1,13 +1,13 @@
 nuclide,"(n,gamma)",fission
-U234,20.548033586079335,0.4951725071956495
-U235,10.593745111766133,48.86980740247932
-U238,0.8607296097035912,0.10623994948321437
-U236,8.697176401063281,0.32148140073986475
-O16,7.503456435273737e-05,0.0
-O17,0.0004107265933745623,0.0
-I135,6.896228129273278,0.0
-Xe135,229100.9245987756,0.0
-Xe136,0.02336047367105298,0.0
-Cs135,2.055822714073886,0.0
-Gd157,12927.465334134899,0.0
-Gd156,3.500756543915523,0.0
+U234,21.418670317831197,0.5014588470882195
+U235,10.343944102483244,47.46718472611891
+U238,0.8741166723597251,0.10829568455139126
+U236,9.083486784689326,0.3325287927011428
+O16,7.548646353912453e-05,0.0
+O17,0.0004018486221310307,0.0
+I135,6.6912565089429235,0.0
+Xe135,223998.64185667288,0.0
+Xe136,0.022934362666193576,0.0
+Cs135,2.28453952223533,0.0
+Gd157,12582.079620036275,0.0
+Gd156,2.9421127515332417,0.0

From 382bcb2e8ea63b5ffd9ead818c651e5aa9d4c7ce Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 30 Jun 2023 22:29:47 -0500
Subject: [PATCH 1886/2654] Updates to object lifecycle for WeightWindows and
 WeightWindowGenerators (#2582)

---
 include/openmc/weight_windows.h               | 318 +++++++++---------
 openmc/weight_windows.py                      |  13 +-
 src/initialize.cpp                            |   5 +
 src/weight_windows.cpp                        | 121 ++++---
 .../weightwindows/generators/test.py          |  13 +-
 tests/unit_tests/weightwindows/test.py        |  16 +-
 6 files changed, 275 insertions(+), 211 deletions(-)

diff --git a/include/openmc/weight_windows.h b/include/openmc/weight_windows.h
index 75073e917..992c8fdc1 100644
--- a/include/openmc/weight_windows.h
+++ b/include/openmc/weight_windows.h
@@ -15,211 +15,215 @@
 #include "openmc/tallies/tally.h"
 #include "openmc/vector.h"
 
-  namespace openmc
-{
+namespace openmc {
 
-  enum class WeightWindowUpdateMethod {
-    MAGIC,
-  };
+enum class WeightWindowUpdateMethod {
+  MAGIC,
+};
 
-  //==============================================================================
-  // Constants
-  //==============================================================================
+//==============================================================================
+// Constants
+//==============================================================================
 
-  constexpr double DEFAULT_WEIGHT_CUTOFF {1.0e-38}; // default low weight cutoff
+constexpr double DEFAULT_WEIGHT_CUTOFF {1.0e-38}; // default low weight cutoff
 
-  //==============================================================================
-  // Non-member functions
-  //==============================================================================
+//==============================================================================
+// Non-member functions
+//==============================================================================
 
-  //! Apply weight windows to a particle
-  //! \param[in] p  Particle to apply weight windows to
-  void apply_weight_windows(Particle & p);
+//! Apply weight windows to a particle
+//! \param[in] p  Particle to apply weight windows to
+void apply_weight_windows(Particle& p);
 
-  //! Free memory associated with weight windows
-  void free_memory_weight_windows();
+//! Free memory associated with weight windows
+void free_memory_weight_windows();
 
-  //==============================================================================
-  // Global variables
-  //==============================================================================
+//==============================================================================
+// Global variables
+//==============================================================================
 
-  class WeightWindows;
-  class WeightWindowsGenerator;
+class WeightWindows;
+class WeightWindowsGenerator;
 
-  namespace variance_reduction {
+namespace variance_reduction {
 
-  extern std::unordered_map<int32_t, int32_t> ww_map;
-  extern vector<unique_ptr<WeightWindows>> weight_windows;
-  extern vector<unique_ptr<WeightWindowsGenerator>> weight_windows_generators;
+extern std::unordered_map<int32_t, int32_t> ww_map;
+extern vector<unique_ptr<WeightWindows>> weight_windows;
+extern vector<unique_ptr<WeightWindowsGenerator>> weight_windows_generators;
 
-  } // namespace variance_reduction
+} // namespace variance_reduction
 
-  //==============================================================================
-  //! Individual weight window information
-  //==============================================================================
+//==============================================================================
+//! Individual weight window information
+//==============================================================================
 
-  struct WeightWindow {
-    double lower_weight {-1}; // -1 indicates invalid state
-    double upper_weight {1};
-    double max_lb_ratio {1};
-    double survival_weight {0.5};
-    double weight_cutoff {DEFAULT_WEIGHT_CUTOFF};
-    int max_split {1};
+struct WeightWindow {
+  double lower_weight {-1}; // -1 indicates invalid state
+  double upper_weight {1};
+  double max_lb_ratio {1};
+  double survival_weight {0.5};
+  double weight_cutoff {DEFAULT_WEIGHT_CUTOFF};
+  int max_split {10};
 
-    //! Whether the weight window is in a valid state
-    bool is_valid() const { return lower_weight >= 0.0; }
+  //! Whether the weight window is in a valid state
+  bool is_valid() const { return lower_weight >= 0.0; }
 
-    //! Adjust the weight window by a constant factor
-    void scale(double factor)
-    {
-      lower_weight *= factor;
-      upper_weight *= factor;
-    }
-  };
+  //! Adjust the weight window by a constant factor
+  void scale(double factor)
+  {
+    lower_weight *= factor;
+    upper_weight *= factor;
+  }
+};
 
-  //==============================================================================
-  //! Weight window settings
-  //==============================================================================
+//==============================================================================
+//! Weight window settings
+//==============================================================================
 
-  class WeightWindows {
-  public:
-    //----------------------------------------------------------------------------
-    // Constructors
-    WeightWindows(int32_t id = -1);
-    WeightWindows(pugi::xml_node node);
-    ~WeightWindows();
-    static WeightWindows* create(int32_t id = -1);
-    static WeightWindows* from_hdf5(
-      hid_t wws_group, const std::string& group_name);
+class WeightWindows {
+public:
+  //----------------------------------------------------------------------------
+  // Constructors
+  WeightWindows(int32_t id = -1);
+  WeightWindows(pugi::xml_node node);
+  ~WeightWindows();
+  static WeightWindows* create(int32_t id = -1);
+  static WeightWindows* from_hdf5(
+    hid_t wws_group, const std::string& group_name);
 
-    //----------------------------------------------------------------------------
-    // Methods
-  private:
-    template<class T>
-    void check_bounds(const T& lower, const T& upper) const;
+  //----------------------------------------------------------------------------
+  // Methods
+private:
+  template<class T>
+  void check_bounds(const T& lower, const T& upper) const;
 
-    template<class T>
-    void check_bounds(const T& lower) const;
+  template<class T>
+  void check_bounds(const T& lower) const;
 
-    void check_tally_update_compatibility(const Tally* tally);
+  void check_tally_update_compatibility(const Tally* tally);
 
-  public:
-    //! Set the weight window ID
-    void set_id(int32_t id = -1);
+public:
+  //! Set the weight window ID
+  void set_id(int32_t id = -1);
 
-    void set_energy_bounds(gsl::span<const double> bounds);
+  void set_energy_bounds(gsl::span<const double> bounds);
 
-    void set_mesh(const std::unique_ptr<Mesh>& mesh);
+  void set_mesh(const std::unique_ptr<Mesh>& mesh);
 
-    void set_mesh(const Mesh* mesh);
+  void set_mesh(const Mesh* mesh);
 
-    void set_mesh(int32_t mesh_idx);
+  void set_mesh(int32_t mesh_idx);
 
-    //! Ready the weight window class for use
-    void set_defaults();
+  //! Ready the weight window class for use
+  void set_defaults();
 
-    //! Update weight window boundaries using tally results
-    //! \param[in] tally Pointer to the tally whose results will be used to
-    //! update weight windows \param[in] value String representing the type of
-    //! value to use for weight window generation (one of "mean" or "rel_err")
-    //! \param[in] threshold Relative error threshold. Results over this
-    //! threshold will be ignored \param[in] ratio Ratio of upper to lower
-    //! weight window bounds
-    void update_magic(const Tally* tally, const std::string& value = "mean",
-      double threshold = 1.0, double ratio = 5.0);
+  //! Ensure the weight window lower bounds are properly allocated
+  void allocate_ww_bounds();
 
-    // NOTE: This is unused for now but may be used in the future
-    //! Write weight window settings to an HDF5 file
-    //! \param[in] group  HDF5 group to write to
-    void to_hdf5(hid_t group) const;
+  //! Update weight window boundaries using tally results
+  //! \param[in] tally Pointer to the tally whose results will be used to
+  //! update weight windows \param[in] value String representing the type of
+  //! value to use for weight window generation (one of "mean" or "rel_err")
+  //! \param[in] threshold Relative error threshold. Results over this
+  //! threshold will be ignored \param[in] ratio Ratio of upper to lower
+  //! weight window bounds
+  void update_magic(const Tally* tally, const std::string& value = "mean",
+    double threshold = 1.0, double ratio = 5.0);
 
-    //! Retrieve the weight window for a particle
-    //! \param[in] p  Particle to get weight window for
-    WeightWindow get_weight_window(const Particle& p) const;
+  // NOTE: This is unused for now but may be used in the future
+  //! Write weight window settings to an HDF5 file
+  //! \param[in] group  HDF5 group to write to
+  void to_hdf5(hid_t group) const;
 
-    std::array<int, 2> bounds_size() const;
+  //! Retrieve the weight window for a particle
+  //! \param[in] p  Particle to get weight window for
+  WeightWindow get_weight_window(const Particle& p) const;
 
-    const vector<double>& energy_bounds() const { return energy_bounds_; }
+  std::array<int, 2> bounds_size() const;
 
-    void set_bounds(const xt::xtensor<double, 2>& lower_ww_bounds,
-      const xt::xtensor<double, 2>& upper_bounds);
+  const vector<double>& energy_bounds() const { return energy_bounds_; }
 
-    void set_bounds(const xt::xtensor<double, 2>& lower_bounds, double ratio);
+  void set_bounds(const xt::xtensor<double, 2>& lower_ww_bounds,
+    const xt::xtensor<double, 2>& upper_bounds);
 
-    void set_bounds(gsl::span<const double> lower_bounds,
-      gsl::span<const double> upper_bounds);
+  void set_bounds(const xt::xtensor<double, 2>& lower_bounds, double ratio);
 
-    void set_bounds(gsl::span<const double> lower_bounds, double ratio);
+  void set_bounds(
+    gsl::span<const double> lower_bounds, gsl::span<const double> upper_bounds);
 
-    void set_particle_type(ParticleType p_type);
+  void set_bounds(gsl::span<const double> lower_bounds, double ratio);
 
-    //----------------------------------------------------------------------------
-    // Accessors
-    int32_t id() const { return id_; }
-    int32_t& id() { return id_; }
+  void set_particle_type(ParticleType p_type);
 
-    int32_t index() const { return index_; }
+  //----------------------------------------------------------------------------
+  // Accessors
+  int32_t id() const { return id_; }
+  int32_t& id() { return id_; }
 
-    vector<double>& energy_bounds() { return energy_bounds_; }
+  int32_t index() const { return index_; }
 
-    const std::unique_ptr<Mesh>& mesh() const
-    {
-      return model::meshes[mesh_idx_];
-    }
+  vector<double>& energy_bounds() { return energy_bounds_; }
 
-    const xt::xtensor<double, 2>& lower_ww_bounds() const { return lower_ww_; }
-    xt::xtensor<double, 2>& lower_ww_bounds() { return lower_ww_; }
+  const std::unique_ptr<Mesh>& mesh() const { return model::meshes[mesh_idx_]; }
 
-    const xt::xtensor<double, 2>& upper_ww_bounds() const { return upper_ww_; }
-    xt::xtensor<double, 2>& upper_ww_bounds() { return upper_ww_; }
+  const xt::xtensor<double, 2>& lower_ww_bounds() const { return lower_ww_; }
+  xt::xtensor<double, 2>& lower_ww_bounds() { return lower_ww_; }
 
-    ParticleType particle_type() const { return particle_type_; }
+  const xt::xtensor<double, 2>& upper_ww_bounds() const { return upper_ww_; }
+  xt::xtensor<double, 2>& upper_ww_bounds() { return upper_ww_; }
 
-  private:
-    //----------------------------------------------------------------------------
-    // Data members
-    int32_t id_;       //!< Unique ID
-    gsl::index index_; //!< Index into weight windows vector
-    ParticleType particle_type_ {
-      ParticleType::neutron};      //!< Particle type to apply weight windows to
-    vector<double> energy_bounds_; //!< Energy boundaries [eV]
-    xt::xtensor<double, 2> lower_ww_; //!< Lower weight window bounds (shape:
-                                      //!< energy_bins, mesh_bins (k, j, i))
-    xt::xtensor<double, 2>
-      upper_ww_; //!< Upper weight window bounds (shape: energy_bins, mesh_bins)
-    double survival_ratio_ {3.0}; //!< Survival weight ratio
-    double max_lb_ratio_ {
-      1.0}; //!< Maximum lower bound to particle weight ratio
-    double weight_cutoff_ {DEFAULT_WEIGHT_CUTOFF}; //!< Weight cutoff
-    int max_split_ {10}; //!< Maximum value for particle splitting
-    int32_t mesh_idx_;   //!< Index in meshes vector
-  };
+  ParticleType particle_type() const { return particle_type_; }
 
-  class WeightWindowsGenerator {
-  public:
-    // Constructors
-    WeightWindowsGenerator(pugi::xml_node node);
+private:
+  //----------------------------------------------------------------------------
+  // Data members
+  int32_t id_;       //!< Unique ID
+  gsl::index index_; //!< Index into weight windows vector
+  ParticleType particle_type_ {
+    ParticleType::neutron};      //!< Particle type to apply weight windows to
+  vector<double> energy_bounds_; //!< Energy boundaries [eV]
+  xt::xtensor<double, 2> lower_ww_; //!< Lower weight window bounds (shape:
+                                    //!< energy_bins, mesh_bins (k, j, i))
+  xt::xtensor<double, 2>
+    upper_ww_; //!< Upper weight window bounds (shape: energy_bins, mesh_bins)
+  double survival_ratio_ {3.0}; //!< Survival weight ratio
+  double max_lb_ratio_ {1.0}; //!< Maximum lower bound to particle weight ratio
+  double weight_cutoff_ {DEFAULT_WEIGHT_CUTOFF}; //!< Weight cutoff
+  int max_split_ {10};    //!< Maximum value for particle splitting
+  int32_t mesh_idx_ {-1}; //!< Index in meshes vector
+};
 
-    // Methods
-    void update() const;
+class WeightWindowsGenerator {
+public:
+  // Constructors
+  WeightWindowsGenerator(pugi::xml_node node);
 
-    // Data members
-    int32_t
-      tally_idx_;    //!< Index of the tally used to update the weight windows
-    int32_t ww_idx_; //!< Index of the weight windows object being generated
-    std::string method_; //!< Method used to update weight window. Only "magic"
-                         //!< is valid for now.
-    int32_t max_realizations_; //!< Maximum number of tally realizations
-    int32_t update_interval_;  //!< Determines how often updates occur
-    bool on_the_fly_;          //!< Whether or not weight windows
+  // Methods
+  void update() const;
 
-    // MAGIC update parameters
-    std::string tally_value_ {
-      "mean"}; //<! Tally value to use (one of {"mean", "rel_err"})
-    double threshold_ {1.0}; //<! Relative error threshold for values used to
-                             //update weight windows
-    double ratio_ {5.0};     //<! ratio of lower to upper weight window bounds
-  };
+  //! Create the tally used for weight window generation
+  void create_tally();
+
+  // Data members
+  int32_t tally_idx_;  //!< Index of the tally used to update the weight windows
+  int32_t ww_idx_;     //!< Index of the weight windows object being generated
+  std::string method_; //!< Method used to update weight window. Only "magic"
+                       //!< is valid for now.
+  int32_t max_realizations_; //!< Maximum number of tally realizations
+  int32_t update_interval_;  //!< Determines how often updates occur
+  bool on_the_fly_; //!< Whether or not to keep tally results between batches or
+                    //!< realizations
+
+  // MAGIC update parameters
+  std::string tally_value_ {
+    "mean"};               //<! Tally value to use (one of {"mean", "rel_err"})
+  double threshold_ {1.0}; //<! Relative error threshold for values used to
+                           // update weight windows
+  double ratio_ {5.0};     //<! ratio of lower to upper weight window bounds
+};
+
+//! Finalize variance reduction objects after all inputs have been read
+void finalize_variance_reduction();
 
 } // namespace openmc
 #endif // OPENMC_WEIGHT_WINDOWS_H
diff --git a/openmc/weight_windows.py b/openmc/weight_windows.py
index bbc5c2f18..3a0a8a354 100644
--- a/openmc/weight_windows.py
+++ b/openmc/weight_windows.py
@@ -49,7 +49,8 @@ class WeightWindows(IDManagerMixin):
         Ratio of the lower to upper weight window bounds
     energy_bounds : Iterable of Real
         A list of values for which each successive pair constitutes a range of
-        energies in [eV] for a single bin
+        energies in [eV] for a single bin. If no energy bins are provided, the
+        maximum and minimum energy for the data available at runtime.
     particle_type : {'neutron', 'photon'}
         Particle type the weight windows apply to
     survival_ratio : float
@@ -125,7 +126,9 @@ class WeightWindows(IDManagerMixin):
         self.mesh = mesh
         self.id = id
         self.particle_type = particle_type
-        self.energy_bounds = energy_bounds
+        self._energy_bounds = None
+        if energy_bounds is not None:
+            self.energy_bounds = energy_bounds
         self.lower_ww_bounds = lower_ww_bounds
 
         if upper_ww_bounds is not None and upper_bound_ratio:
@@ -229,7 +232,7 @@ class WeightWindows(IDManagerMixin):
     @property
     def num_energy_bins(self) -> int:
         if self.energy_bounds is None:
-            raise ValueError('Energy bounds are not set')
+            return 1
         return self.energy_bounds.size - 1
 
     @property
@@ -650,7 +653,8 @@ class WeightWindowGenerator:
         Mesh used to represent the weight windows spatially
     energy_bounds : Iterable of Real
         A list of values for which each successive pair constitutes a range of
-        energies in [eV] for a single bin
+        energies in [eV] for a single bin. If no energy bins are provided, the
+        maximum and minimum energy for the data available at runtime.
     particle_type : {'neutron', 'photon'}
         Particle type the weight windows apply to
 
@@ -681,6 +685,7 @@ class WeightWindowGenerator:
 
     def __init__(self, mesh, energy_bounds=None, particle_type='neutron'):
         self.mesh = mesh
+        self._energy_bounds = None
         if energy_bounds is not None:
             self.energy_bounds = energy_bounds
         self.particle_type = particle_type
diff --git a/src/initialize.cpp b/src/initialize.cpp
index 323da2cc0..d667f4b03 100644
--- a/src/initialize.cpp
+++ b/src/initialize.cpp
@@ -33,6 +33,7 @@
 #include "openmc/thermal.h"
 #include "openmc/timer.h"
 #include "openmc/vector.h"
+#include "openmc/weight_windows.h"
 
 #ifdef LIBMESH
 #include "libmesh/libmesh.h"
@@ -404,6 +405,8 @@ bool read_model_xml()
     }
   }
 
+  finalize_variance_reduction();
+
   return true;
 }
 
@@ -427,6 +430,8 @@ void read_separate_xml_files()
   // Read the plots.xml regardless of plot mode in case plots are requested
   // via the API
   read_plots_xml();
+
+  finalize_variance_reduction();
 }
 
 void initial_output()
diff --git a/src/weight_windows.cpp b/src/weight_windows.cpp
index dcdf13abe..a1f8731f8 100644
--- a/src/weight_windows.cpp
+++ b/src/weight_windows.cpp
@@ -257,21 +257,26 @@ WeightWindows* WeightWindows::from_hdf5(
 
 void WeightWindows::set_defaults()
 {
-  // ensure default values are set
+  // set energy bounds to the min/max energy supported by the data
   if (energy_bounds_.size() == 0) {
     int p_type = static_cast<int>(particle_type_);
     energy_bounds_.push_back(data::energy_min[p_type]);
     energy_bounds_.push_back(data::energy_max[p_type]);
   }
+}
 
-  // some constructors won't allocate space for the bounds
-  // do that here so the object is valid
-  if (lower_ww_.size() == 0 || upper_ww_.size() == 0) {
-    lower_ww_ = xt::empty<double>(bounds_size());
-    lower_ww_.fill(-1);
-    upper_ww_ = xt::empty<double>(bounds_size());
-    upper_ww_.fill(-1);
+void WeightWindows::allocate_ww_bounds()
+{
+  auto shape = bounds_size();
+  if (shape[0] * shape[1] == 0) {
+    auto msg = fmt::format(
+      "Size of weight window bounds is zero for WeightWindows {}", id());
+    warning(msg);
   }
+  lower_ww_ = xt::empty<double>(shape);
+  lower_ww_.fill(-1);
+  upper_ww_ = xt::empty<double>(shape);
+  upper_ww_.fill(-1);
 }
 
 void WeightWindows::set_id(int32_t id)
@@ -308,6 +313,9 @@ void WeightWindows::set_energy_bounds(gsl::span<const double> bounds)
 {
   energy_bounds_.clear();
   energy_bounds_.insert(energy_bounds_.begin(), bounds.begin(), bounds.end());
+  // if the mesh is set, allocate space for weight window bounds
+  if (mesh_idx_ != C_NONE)
+    allocate_ww_bounds();
 }
 
 void WeightWindows::set_particle_type(ParticleType p_type)
@@ -325,6 +333,7 @@ void WeightWindows::set_mesh(int32_t mesh_idx)
     fatal_error(fmt::format("Could not find a mesh for index {}", mesh_idx));
 
   mesh_idx_ = mesh_idx;
+  allocate_ww_bounds();
 }
 
 void WeightWindows::set_mesh(const std::unique_ptr<Mesh>& mesh)
@@ -743,43 +752,6 @@ WeightWindowsGenerator::WeightWindowsGenerator(pugi::xml_node node)
     e_bounds.push_back(data::energy_max[p_type]);
   }
 
-  // create a tally based on the WWG information
-  Tally* ww_tally = Tally::create();
-  tally_idx_ = model::tally_map[ww_tally->id()];
-  ww_tally->set_scores({"flux"});
-
-  // see if there's already a mesh filter using this mesh
-  bool found_mesh_filter = false;
-  for (const auto& f : model::tally_filters) {
-    if (f->type() == FilterType::MESH) {
-      const auto* mesh_filter = dynamic_cast<MeshFilter*>(f.get());
-      if (mesh_filter->mesh() == mesh_idx && !mesh_filter->translated()) {
-        ww_tally->add_filter(f.get());
-        found_mesh_filter = true;
-        break;
-      }
-    }
-  }
-
-  if (!found_mesh_filter) {
-    auto mesh_filter = Filter::create("mesh");
-    openmc_mesh_filter_set_mesh(mesh_filter->index(), model::mesh_map[mesh_id]);
-    ww_tally->add_filter(mesh_filter);
-  }
-
-  if (e_bounds.size() > 0) {
-    auto energy_filter = Filter::create("energy");
-    openmc_energy_filter_set_bins(
-      energy_filter->index(), e_bounds.size(), e_bounds.data());
-    ww_tally->add_filter(energy_filter);
-  }
-
-  // add a particle filter
-  auto particle_filter = Filter::create("particle");
-  auto pf = dynamic_cast<ParticleFilter*>(particle_filter);
-  pf->set_particles({&particle_type, 1});
-  ww_tally->add_filter(particle_filter);
-
   // set method and parameters for updates
   method_ = get_node_value(node, "method");
   if (method_ == "magic") {
@@ -815,13 +787,59 @@ WeightWindowsGenerator::WeightWindowsGenerator(pugi::xml_node node)
   // create a matching weight windows object
   auto wws = WeightWindows::create();
   ww_idx_ = wws->index();
+  wws->set_mesh(mesh_idx);
   if (e_bounds.size() > 0)
     wws->set_energy_bounds(e_bounds);
-  wws->set_mesh(model::mesh_map[mesh_id]);
   wws->set_particle_type(particle_type);
   wws->set_defaults();
 }
 
+void WeightWindowsGenerator::create_tally()
+{
+  const auto& wws = variance_reduction::weight_windows[ww_idx_];
+
+  // create a tally based on the WWG information
+  Tally* ww_tally = Tally::create();
+  tally_idx_ = model::tally_map[ww_tally->id()];
+  ww_tally->set_scores({"flux"});
+
+  int32_t mesh_id = wws->mesh()->id();
+  int32_t mesh_idx = model::mesh_map.at(mesh_id);
+  // see if there's already a mesh filter using this mesh
+  bool found_mesh_filter = false;
+  for (const auto& f : model::tally_filters) {
+    if (f->type() == FilterType::MESH) {
+      const auto* mesh_filter = dynamic_cast<MeshFilter*>(f.get());
+      if (mesh_filter->mesh() == mesh_idx && !mesh_filter->translated()) {
+        ww_tally->add_filter(f.get());
+        found_mesh_filter = true;
+        break;
+      }
+    }
+  }
+
+  if (!found_mesh_filter) {
+    auto mesh_filter = Filter::create("mesh");
+    openmc_mesh_filter_set_mesh(mesh_filter->index(), model::mesh_map[mesh_id]);
+    ww_tally->add_filter(mesh_filter);
+  }
+
+  const auto& e_bounds = wws->energy_bounds();
+  if (e_bounds.size() > 0) {
+    auto energy_filter = Filter::create("energy");
+    openmc_energy_filter_set_bins(
+      energy_filter->index(), e_bounds.size(), e_bounds.data());
+    ww_tally->add_filter(energy_filter);
+  }
+
+  // add a particle filter
+  auto particle_type = wws->particle_type();
+  auto particle_filter = Filter::create("particle");
+  auto pf = dynamic_cast<ParticleFilter*>(particle_filter);
+  pf->set_particles({&particle_type, 1});
+  ww_tally->add_filter(particle_filter);
+}
+
 void WeightWindowsGenerator::update() const
 {
   const auto& wws = variance_reduction::weight_windows[ww_idx_];
@@ -845,6 +863,17 @@ void WeightWindowsGenerator::update() const
   // complete
 }
 
+//==============================================================================
+// Non-member functions
+//==============================================================================
+
+void finalize_variance_reduction()
+{
+  for (const auto& wwg : variance_reduction::weight_windows_generators) {
+    wwg->create_tally();
+  }
+}
+
 //==============================================================================
 // C API
 //==============================================================================
diff --git a/tests/regression_tests/weightwindows/generators/test.py b/tests/regression_tests/weightwindows/generators/test.py
index f5bfc4dcd..1d516db8d 100644
--- a/tests/regression_tests/weightwindows/generators/test.py
+++ b/tests/regression_tests/weightwindows/generators/test.py
@@ -28,13 +28,20 @@ def test_ww_generator(run_in_tmpdir):
     energy_bounds = np.linspace(0.0, 1e6, 70)
     particle = 'neutron'
 
+    # include another tally to make sure user-specified tallies and those automaticaly
+    # created by weight window generators can coexist
+    tally = openmc.Tally()
+    ef = openmc.EnergyFilter(energy_bounds)
+    tally.filters = [ef]
+    tally.scores = ['flux']
+    model.tallies = [tally]
+
     wwg = openmc.WeightWindowGenerator(mesh, energy_bounds, particle)
-    wwg.update_parameters = {'ratio' : 5.0, 'threshold': 0.8, 'value' : 'mean'}
+    wwg.update_parameters = {'ratio': 5.0, 'threshold': 0.8, 'value': 'mean'}
 
     model.settings.weight_window_generators = wwg
-    model.export_to_xml()
-
     model.run()
+
     # we test the effectiveness of the update method elsewhere, so
     # just test that the generation happens successfully here
     assert os.path.exists('weight_windows.h5')
diff --git a/tests/unit_tests/weightwindows/test.py b/tests/unit_tests/weightwindows/test.py
index f8db66820..8af843cbd 100644
--- a/tests/unit_tests/weightwindows/test.py
+++ b/tests/unit_tests/weightwindows/test.py
@@ -241,7 +241,21 @@ def test_roundtrip(run_in_tmpdir, model, wws):
         assert(ww_out == ww_in)
 
 
-def test_ww_attrs(run_in_tmpdir, model):
+def test_ww_attrs_python(model):
+    mesh = openmc.RegularMesh.from_domain(model.geometry)
+    lower_bounds = np.ones(mesh.dimension)
+
+    # ensure that creation of weight window objects with default arg values
+    # is successful
+    wws = openmc.WeightWindows(mesh, lower_bounds, upper_bound_ratio=10.0)
+
+    assert wws.energy_bounds == None
+
+    wwg = openmc.WeightWindowGenerator(mesh)
+
+    assert wwg.energy_bounds == None
+
+def test_ww_attrs_capi(run_in_tmpdir, model):
     model.export_to_xml()
 
     openmc.lib.init()

From 21d88473c862fdd4da499d09cc90c72b92875583 Mon Sep 17 00:00:00 2001
From: Christopher Billingham <cbillingham@gmail.com>
Date: Wed, 5 Jul 2023 14:21:36 +0100
Subject: [PATCH 1887/2654] Simplify infinity check (#2587)

---
 openmc/universe.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/universe.py b/openmc/universe.py
index 447746e57..c490ac298 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -391,7 +391,7 @@ class Universe(UniverseBase):
 
         bb = self.bounding_box
         # checks to see if bounding box contains -inf or inf values
-        if np.isinf([bb[0][x], bb[1][x], bb[0][y], bb[1][y]]).any():
+        if np.isinf(bb.extent[basis]).any():
             if origin is None:
                 origin = (0, 0, 0)
             if width is None:

From 97414699fdb67628fe0ef6e7af8a4dbf4f938fa5 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 6 Jul 2023 14:48:36 -0500
Subject: [PATCH 1888/2654] Update variable names for depletion 'n' vectors
 (#2583)

---
 openmc/deplete/abc.py         |  51 ++++----
 openmc/deplete/integrators.py | 219 +++++++++++++++++-----------------
 openmc/deplete/pool.py        |  55 +++++----
 3 files changed, 166 insertions(+), 159 deletions(-)

diff --git a/openmc/deplete/abc.py b/openmc/deplete/abc.py
index ae0d86027..1acfe6b1a 100644
--- a/openmc/deplete/abc.py
+++ b/openmc/deplete/abc.py
@@ -683,21 +683,22 @@ class Integrator(ABC):
 
         self._solver = func
 
-    def _timed_deplete(self, concs, rates, dt, matrix_func=None):
+    def _timed_deplete(self, n, rates, dt, matrix_func=None):
         start = time.time()
         results = deplete(
-            self._solver, self.chain, concs, rates, dt, matrix_func,
+            self._solver, self.chain, n, rates, dt, matrix_func,
             self.transfer_rates)
         return time.time() - start, results
 
     @abstractmethod
-    def __call__(self, conc, rates, dt, source_rate, i):
+    def __call__(self, n, rates, dt, source_rate, i):
         """Perform the integration across one time step
 
         Parameters
         ----------
-        conc : numpy.ndarray
-            Initial concentrations for all nuclides in [atom]
+        n :  list of numpy.ndarray
+            List of atom number arrays for each material. Each array in the list
+            contains the number of [atom] of each nuclide.
         rates : openmc.deplete.ReactionRates
             Reaction rates from operator
         dt : float
@@ -711,7 +712,7 @@ class Integrator(ABC):
         -------
         proc_time : float
             Time spent in CRAM routines for all materials in [s]
-        conc_list : list of numpy.ndarray
+        n_list : list of list of numpy.ndarray
             Concentrations at each of the intermediate points with
             the final concentration as the last element
         op_results : list of openmc.deplete.OperatorResult
@@ -777,7 +778,7 @@ class Integrator(ABC):
             .. versionadded:: 0.13.1
         """
         with change_directory(self.operator.output_dir):
-            conc = self.operator.initial_condition()
+            n = self.operator.initial_condition()
             t, self._i_res = self._get_start_data()
 
             for i, (dt, source_rate) in enumerate(self):
@@ -786,21 +787,21 @@ class Integrator(ABC):
 
                 # Solve transport equation (or obtain result from restart)
                 if i > 0 or self.operator.prev_res is None:
-                    conc, res = self._get_bos_data_from_operator(i, source_rate, conc)
+                    n, res = self._get_bos_data_from_operator(i, source_rate, n)
                 else:
-                    conc, res = self._get_bos_data_from_restart(i, source_rate, conc)
+                    n, res = self._get_bos_data_from_restart(i, source_rate, n)
 
                 # Solve Bateman equations over time interval
-                proc_time, conc_list, res_list = self(conc, res.rates, dt, source_rate, i)
+                proc_time, n_list, res_list = self(n, res.rates, dt, source_rate, i)
 
                 # Insert BOS concentration, transport results
-                conc_list.insert(0, conc)
+                n_list.insert(0, n)
                 res_list.insert(0, res)
 
                 # Remove actual EOS concentration for next step
-                conc = conc_list.pop()
+                n = n_list.pop()
 
-                StepResult.save(self.operator, conc_list, res_list, [t, t + dt],
+                StepResult.save(self.operator, n_list, res_list, [t, t + dt],
                                 source_rate, self._i_res + i, proc_time)
 
                 t += dt
@@ -811,8 +812,8 @@ class Integrator(ABC):
             # solve)
             if output and final_step and comm.rank == 0:
                 print(f"[openmc.deplete] t={t} (final operator evaluation)")
-            res_list = [self.operator(conc, source_rate if final_step else 0.0)]
-            StepResult.save(self.operator, [conc], res_list, [t, t],
+            res_list = [self.operator(n, source_rate if final_step else 0.0)]
+            StepResult.save(self.operator, [n], res_list, [t, t],
                          source_rate, self._i_res + len(self), proc_time)
             self.operator.write_bos_data(len(self) + self._i_res)
 
@@ -942,13 +943,13 @@ class SIIntegrator(Integrator):
             timestep_units=timestep_units, solver=solver)
         self.n_steps = n_steps
 
-    def _get_bos_data_from_operator(self, step_index, step_power, bos_conc):
+    def _get_bos_data_from_operator(self, step_index, step_power, n_bos):
         reset_particles = False
         if step_index == 0 and hasattr(self.operator, "settings"):
             reset_particles = True
             self.operator.settings.particles *= self.n_steps
         inherited = super()._get_bos_data_from_operator(
-            step_index, step_power, bos_conc)
+            step_index, step_power, n_bos)
         if reset_particles:
             self.operator.settings.particles //= self.n_steps
         return inherited
@@ -964,7 +965,7 @@ class SIIntegrator(Integrator):
             .. versionadded:: 0.13.1
         """
         with change_directory(self.operator.output_dir):
-            conc = self.operator.initial_condition()
+            n = self.operator.initial_condition()
             t, self._i_res = self._get_start_data()
 
             for i, (dt, p) in enumerate(self):
@@ -973,30 +974,30 @@ class SIIntegrator(Integrator):
 
                 if i == 0:
                     if self.operator.prev_res is None:
-                        conc, res = self._get_bos_data_from_operator(i, p, conc)
+                        n, res = self._get_bos_data_from_operator(i, p, n)
                     else:
-                        conc, res = self._get_bos_data_from_restart(i, p, conc)
+                        n, res = self._get_bos_data_from_restart(i, p, n)
                 else:
                     # Pull rates, k from previous iteration w/o
                     # re-running transport
                     res = res_list[-1]  # defined in previous i iteration
 
-                proc_time, conc_list, res_list = self(conc, res.rates, dt, p, i)
+                proc_time, n_list, res_list = self(n, res.rates, dt, p, i)
 
                 # Insert BOS concentration, transport results
-                conc_list.insert(0, conc)
+                n_list.insert(0, n)
                 res_list.insert(0, res)
 
                 # Remove actual EOS concentration for next step
-                conc = conc_list.pop()
+                n = n_list.pop()
 
-                StepResult.save(self.operator, conc_list, res_list, [t, t + dt],
+                StepResult.save(self.operator, n_list, res_list, [t, t + dt],
                              p, self._i_res + i, proc_time)
 
                 t += dt
 
             # No final simulation for SIE, use last iteration results
-            StepResult.save(self.operator, [conc], [res_list[-1]], [t, t],
+            StepResult.save(self.operator, [n], [res_list[-1]], [t, t],
                          p, self._i_res + len(self), proc_time)
             self.operator.write_bos_data(self._i_res + len(self))
 
diff --git a/openmc/deplete/integrators.py b/openmc/deplete/integrators.py
index 74a3cebdb..e73088621 100644
--- a/openmc/deplete/integrators.py
+++ b/openmc/deplete/integrators.py
@@ -26,13 +26,14 @@ class PredictorIntegrator(Integrator):
     """
     _num_stages = 1
 
-    def __call__(self, conc, rates, dt, source_rate, _i=None):
+    def __call__(self, n, rates, dt, source_rate, _i=None):
         """Perform the integration across one time step
 
         Parameters
         ----------
-        conc : numpy.ndarray
-            Initial concentrations for all nuclides in [atom]
+        n : list of numpy.ndarray
+            List of atom number arrays for each material. Each array in the list
+            contains the number of [atom] of each nuclide.
         rates : openmc.deplete.ReactionRates
             Reaction rates from operator
         dt : float
@@ -46,15 +47,15 @@ class PredictorIntegrator(Integrator):
         -------
         proc_time : float
             Time spent in CRAM routines for all materials in [s]
-        conc_list : list of numpy.ndarray
+        n_list : list of list of numpy.ndarray
             Concentrations at end of interval
         op_results : empty list
-            Kept for consistency with API. No intermediate calls to
-            operator with predictor
+            Kept for consistency with API. No intermediate calls to operator
+            with predictor
 
         """
-        proc_time, conc_end = self._timed_deplete(conc, rates, dt)
-        return proc_time, [conc_end], []
+        proc_time, n_end = self._timed_deplete(n, rates, dt)
+        return proc_time, [n_end], []
 
 
 @add_params
@@ -77,13 +78,14 @@ class CECMIntegrator(Integrator):
     """
     _num_stages = 2
 
-    def __call__(self, conc, rates, dt, source_rate, _i=None):
+    def __call__(self, n, rates, dt, source_rate, _i=None):
         """Integrate using CE/CM
 
         Parameters
         ----------
-        conc : numpy.ndarray
-            Initial concentrations for all nuclides in [atom]
+        n : list of numpy.ndarray
+            List of atom number arrays for each material. Each array in the list
+            contains the number of [atom] of each nuclide.
         rates : openmc.deplete.ReactionRates
             Reaction rates from operator
         dt : float
@@ -97,21 +99,21 @@ class CECMIntegrator(Integrator):
         -------
         proc_time : float
             Time spent in CRAM routines for all materials in [s]
-        conc_list : list of numpy.ndarray
+        n_list : list of list of numpy.ndarray
             Concentrations at each of the intermediate points with
             the final concentration as the last element
         op_results : list of openmc.deplete.OperatorResult
             Eigenvalue and reaction rates from transport simulations
         """
         # deplete across first half of interval
-        time0, x_middle = self._timed_deplete(conc, rates, dt / 2)
-        res_middle = self.operator(x_middle, source_rate)
+        time0, n_middle = self._timed_deplete(n, rates, dt / 2)
+        res_middle = self.operator(n_middle, source_rate)
 
         # deplete across entire interval with BOS concentrations,
         # MOS reaction rates
-        time1, x_end = self._timed_deplete(conc, res_middle.rates, dt)
+        time1, n_end = self._timed_deplete(n, res_middle.rates, dt)
 
-        return time0 + time1, [x_middle, x_end], [res_middle]
+        return time0 + time1, [n_middle, n_end], [res_middle]
 
 
 @add_params
@@ -140,13 +142,14 @@ class CF4Integrator(Integrator):
     """
     _num_stages = 4
 
-    def __call__(self, bos_conc, bos_rates, dt, source_rate, _i=None):
+    def __call__(self, n_bos, bos_rates, dt, source_rate, _i=None):
         """Perform the integration across one time step
 
         Parameters
         ----------
-        bos_conc : numpy.ndarray
-            Initial concentrations for all nuclides in [atom]
+        n_bos : list of numpy.ndarray
+            List of atom number arrays for each material. Each array in the list
+            contains the number of [atom] of each nuclide.
         bos_rates : openmc.deplete.ReactionRates
             Reaction rates from operator
         dt : float
@@ -160,7 +163,7 @@ class CF4Integrator(Integrator):
         -------
         proc_time : float
             Time spent in CRAM routines for all materials in [s]
-        conc_list : list of numpy.ndarray
+        n_list : list of numpy.ndarray
             Concentrations at each of the intermediate points with
             the final concentration as the last element
         op_results : list of openmc.deplete.OperatorResult
@@ -168,30 +171,30 @@ class CF4Integrator(Integrator):
             simulations
         """
         # Step 1: deplete with matrix 1/2*A(y0)
-        time1, conc_eos1 = self._timed_deplete(
-            bos_conc, bos_rates, dt, matrix_func=cf4_f1)
-        res1 = self.operator(conc_eos1, source_rate)
+        time1, n_eos1 = self._timed_deplete(
+            n_bos, bos_rates, dt, matrix_func=cf4_f1)
+        res1 = self.operator(n_eos1, source_rate)
 
         # Step 2: deplete with matrix 1/2*A(y1)
-        time2, conc_eos2 = self._timed_deplete(
-            bos_conc, res1.rates, dt, matrix_func=cf4_f1)
-        res2 = self.operator(conc_eos2, source_rate)
+        time2, n_eos2 = self._timed_deplete(
+            n_bos, res1.rates, dt, matrix_func=cf4_f1)
+        res2 = self.operator(n_eos2, source_rate)
 
         # Step 3: deplete with matrix -1/2*A(y0)+A(y2)
         list_rates = list(zip(bos_rates, res2.rates))
-        time3, conc_eos3 = self._timed_deplete(
-            conc_eos1, list_rates, dt, matrix_func=cf4_f2)
-        res3 = self.operator(conc_eos3, source_rate)
+        time3, n_eos3 = self._timed_deplete(
+            n_eos1, list_rates, dt, matrix_func=cf4_f2)
+        res3 = self.operator(n_eos3, source_rate)
 
         # Step 4: deplete with two matrix exponentials
         list_rates = list(zip(bos_rates, res1.rates, res2.rates, res3.rates))
-        time4, conc_inter = self._timed_deplete(
-            bos_conc, list_rates, dt, matrix_func=cf4_f3)
-        time5, conc_eos5 = self._timed_deplete(
-            conc_inter, list_rates, dt, matrix_func=cf4_f4)
+        time4, n_inter = self._timed_deplete(
+            n_bos, list_rates, dt, matrix_func=cf4_f3)
+        time5, n_eos5 = self._timed_deplete(
+            n_inter, list_rates, dt, matrix_func=cf4_f4)
 
         return (time1 + time2 + time3 + time4 + time5,
-                [conc_eos1, conc_eos2, conc_eos3, conc_eos5],
+                [n_eos1, n_eos2, n_eos3, n_eos5],
                 [res1, res2, res3])
 
 
@@ -217,13 +220,14 @@ class CELIIntegrator(Integrator):
     """
     _num_stages = 2
 
-    def __call__(self, bos_conc, rates, dt, source_rate, _i=None):
+    def __call__(self, n_bos, rates, dt, source_rate, _i=None):
         """Perform the integration across one time step
 
         Parameters
         ----------
-        bos_conc : numpy.ndarray
-            Initial concentrations for all nuclides in [atom]
+        n_bos : list of numpy.ndarray
+            List of atom number arrays for each material. Each array in the list
+            contains the number of [atom] of each nuclide.
         rates : openmc.deplete.ReactionRates
             Reaction rates from operator
         dt : float
@@ -237,7 +241,7 @@ class CELIIntegrator(Integrator):
         -------
         proc_time : float
             Time spent in CRAM routines for all materials in [s]
-        conc_list : list of numpy.ndarray
+        n_list : list of list of numpy.ndarray
             Concentrations at each of the intermediate points with
             the final concentration as the last element
         op_results : list of openmc.deplete.OperatorResult
@@ -245,19 +249,19 @@ class CELIIntegrator(Integrator):
             simulation
         """
         # deplete to end using BOS rates
-        proc_time, conc_ce = self._timed_deplete(bos_conc, rates, dt)
-        res_ce = self.operator(conc_ce, source_rate)
+        proc_time, n_ce = self._timed_deplete(n_bos, rates, dt)
+        res_ce = self.operator(n_ce, source_rate)
 
         # deplete using two matrix exponentials
         list_rates = list(zip(rates, res_ce.rates))
 
-        time_le1, conc_inter = self._timed_deplete(
-            bos_conc, list_rates, dt, matrix_func=celi_f1)
+        time_le1, n_inter = self._timed_deplete(
+            n_bos, list_rates, dt, matrix_func=celi_f1)
 
-        time_le2, conc_end = self._timed_deplete(
-            conc_inter, list_rates, dt, matrix_func=celi_f2)
+        time_le2, n_end = self._timed_deplete(
+            n_inter, list_rates, dt, matrix_func=celi_f2)
 
-        return proc_time + time_le1 + time_le1, [conc_ce, conc_end], [res_ce]
+        return proc_time + time_le1 + time_le1, [n_ce, n_end], [res_ce]
 
 
 @add_params
@@ -282,13 +286,14 @@ class EPCRK4Integrator(Integrator):
     """
     _num_stages = 4
 
-    def __call__(self, conc, rates, dt, source_rate, _i=None):
+    def __call__(self, n, rates, dt, source_rate, _i=None):
         """Perform the integration across one time step
 
         Parameters
         ----------
-        conc : numpy.ndarray
-            Initial concentrations for all nuclides in [atom]
+        n : list of numpy.ndarray
+            List of atom number arrays for each material. Each array in the list
+            contains the number of [atom] of each nuclide.
         rates : openmc.deplete.ReactionRates
             Reaction rates from operator
         dt : float
@@ -302,7 +307,7 @@ class EPCRK4Integrator(Integrator):
         -------
         proc_time : float
             Time spent in CRAM routines for all materials in [s]
-        conc_list : list of numpy.ndarray
+        n_list : list of list of numpy.ndarray
             Concentrations at each of the intermediate points with
             the final concentration as the last element
         op_results : list of openmc.deplete.OperatorResult
@@ -311,26 +316,22 @@ class EPCRK4Integrator(Integrator):
         """
 
         # Step 1: deplete with matrix A(y0) / 2
-        time1, conc1 = self._timed_deplete(
-            conc, rates, dt, matrix_func=rk4_f1)
-        res1 = self.operator(conc1, source_rate)
+        time1, n1 = self._timed_deplete(n, rates, dt, matrix_func=rk4_f1)
+        res1 = self.operator(n1, source_rate)
 
         # Step 2: deplete with matrix A(y1) / 2
-        time2, conc2 = self._timed_deplete(
-            conc, res1.rates, dt, matrix_func=rk4_f1)
-        res2 = self.operator(conc2, source_rate)
+        time2, n2 = self._timed_deplete(n, res1.rates, dt, matrix_func=rk4_f1)
+        res2 = self.operator(n2, source_rate)
 
         # Step 3: deplete with matrix A(y2)
-        time3, conc3 = self._timed_deplete(conc, res2.rates, dt)
-        res3 = self.operator(conc3, source_rate)
+        time3, n3 = self._timed_deplete(n, res2.rates, dt)
+        res3 = self.operator(n3, source_rate)
 
         # Step 4: deplete with matrix built from weighted rates
         list_rates = list(zip(rates, res1.rates, res2.rates, res3.rates))
-        time4, conc4 = self._timed_deplete(
-            conc, list_rates, dt, matrix_func=rk4_f4)
+        time4, n4 = self._timed_deplete(n, list_rates, dt, matrix_func=rk4_f4)
 
-        return (time1 + time2 + time3 + time4, [conc1, conc2, conc3, conc4],
-                [res1, res2, res3])
+        return (time1 + time2 + time3 + time4, [n1, n2, n3, n4], [res1, res2, res3])
 
 
 @add_params
@@ -368,14 +369,15 @@ class LEQIIntegrator(Integrator):
     """
     _num_stages = 2
 
-    def __call__(self, bos_conc, bos_rates, dt, source_rate, i):
+    def __call__(self, n_bos, bos_rates, dt, source_rate, i):
         """Perform the integration across one time step
 
         Parameters
         ----------
-        conc : numpy.ndarray
-            Initial concentrations for all nuclides in [atom]
-        rates : openmc.deplete.ReactionRates
+        n_bos : list of numpy.ndarray
+            List of atom number arrays for each material. Each array in the list
+            contains the number of [atom] of each nuclide.
+        bos_rates : openmc.deplete.ReactionRates
             Reaction rates from operator
         dt : float
             Time in [s] for the entire depletion interval
@@ -388,7 +390,7 @@ class LEQIIntegrator(Integrator):
         -------
         proc_time : float
             Time spent in CRAM routines for all materials in [s]
-        conc_list : list of numpy.ndarray
+        n_list : list of list of numpy.ndarray
             Concentrations at each of the intermediate points with
             the final concentration as the last element
         op_results : list of openmc.deplete.OperatorResult
@@ -399,7 +401,7 @@ class LEQIIntegrator(Integrator):
             if self._i_res < 1:  # need at least previous transport solution
                 self._prev_rates = bos_rates
                 return CELIIntegrator.__call__(
-                    self, bos_conc, bos_rates, dt, source_rate, i)
+                    self, n_bos, bos_rates, dt, source_rate, i)
             prev_res = self.operator.prev_res[-2]
             prev_dt = self.timesteps[i] - prev_res.time[0]
             self._prev_rates = prev_res.rates[0]
@@ -407,32 +409,32 @@ class LEQIIntegrator(Integrator):
             prev_dt = self.timesteps[i - 1]
 
         # Remaining LE/QI
-        bos_res = self.operator(bos_conc, source_rate)
+        bos_res = self.operator(n_bos, source_rate)
 
         le_inputs = list(zip(
             self._prev_rates, bos_res.rates, repeat(prev_dt), repeat(dt)))
 
-        time1, conc_inter = self._timed_deplete(
-            bos_conc, le_inputs, dt, matrix_func=leqi_f1)
-        time2, conc_eos0 = self._timed_deplete(
-            conc_inter, le_inputs, dt, matrix_func=leqi_f2)
+        time1, n_inter = self._timed_deplete(
+            n_bos, le_inputs, dt, matrix_func=leqi_f1)
+        time2, n_eos0 = self._timed_deplete(
+            n_inter, le_inputs, dt, matrix_func=leqi_f2)
 
-        res_inter = self.operator(conc_eos0, source_rate)
+        res_inter = self.operator(n_eos0, source_rate)
 
         qi_inputs = list(zip(
             self._prev_rates, bos_res.rates, res_inter.rates,
             repeat(prev_dt), repeat(dt)))
 
-        time3, conc_inter = self._timed_deplete(
-            bos_conc, qi_inputs, dt, matrix_func=leqi_f3)
-        time4, conc_eos1 = self._timed_deplete(
-            conc_inter, qi_inputs, dt, matrix_func=leqi_f4)
+        time3, n_inter = self._timed_deplete(
+            n_bos, qi_inputs, dt, matrix_func=leqi_f3)
+        time4, n_eos1 = self._timed_deplete(
+            n_inter, qi_inputs, dt, matrix_func=leqi_f4)
 
         # store updated rates
         self._prev_rates = copy.deepcopy(bos_res.rates)
 
         return (
-            time1 + time2 + time3 + time4, [conc_eos0, conc_eos1],
+            time1 + time2 + time3 + time4, [n_eos0, n_eos1],
             [bos_res, res_inter])
 
 
@@ -449,13 +451,14 @@ class SICELIIntegrator(SIIntegrator):
     """
     _num_stages = 2
 
-    def __call__(self, bos_conc, bos_rates, dt, source_rate, _i=None):
+    def __call__(self, n_bos, bos_rates, dt, source_rate, _i=None):
         """Perform the integration across one time step
 
         Parameters
         ----------
-        bos_conc : numpy.ndarray
-            Initial bos_concentrations for all nuclides in [atom]
+        n_bos : list of numpy.ndarray
+            List of atom number arrays for each material. Each array in the list
+            contains the number of [atom] of each nuclide.
         bos_rates : openmc.deplete.ReactionRates
             Reaction rates from operator
         dt : float
@@ -469,19 +472,19 @@ class SICELIIntegrator(SIIntegrator):
         -------
         proc_time : float
             Time spent in CRAM routines for all materials in [s]
-        bos_conc_list : list of numpy.ndarray
+        n_bos_list : list of list of numpy.ndarray
             Concentrations at each of the intermediate points with
-            the final bos_concentration as the last element
+            the final concentration as the last element
         op_results : list of openmc.deplete.OperatorResult
             Eigenvalue and reaction rates from intermediate transport
             simulations
         """
-        proc_time, eos_conc = self._timed_deplete(bos_conc, bos_rates, dt)
-        inter_conc = copy.deepcopy(eos_conc)
+        proc_time, n_eos = self._timed_deplete(n_bos, bos_rates, dt)
+        n_inter = copy.deepcopy(n_eos)
 
         # Begin iteration
         for j in range(self.n_steps + 1):
-            inter_res = self.operator(inter_conc, source_rate)
+            inter_res = self.operator(n_inter, source_rate)
 
             if j <= 1:
                 res_bar = copy.deepcopy(inter_res)
@@ -491,14 +494,14 @@ class SICELIIntegrator(SIIntegrator):
                 res_bar = OperatorResult(k, rates)
 
             list_rates = list(zip(bos_rates, res_bar.rates))
-            time1, inter_conc = self._timed_deplete(
-                bos_conc, list_rates, dt, matrix_func=celi_f1)
-            time2, inter_conc = self._timed_deplete(
-                inter_conc, list_rates, dt, matrix_func=celi_f2)
+            time1, n_inter = self._timed_deplete(
+                n_bos, list_rates, dt, matrix_func=celi_f1)
+            time2, n_inter = self._timed_deplete(
+                n_inter, list_rates, dt, matrix_func=celi_f2)
             proc_time += time1 + time2
 
         # end iteration
-        return proc_time, [eos_conc, inter_conc], [res_bar]
+        return proc_time, [n_eos, n_inter], [res_bar]
 
 
 @add_params
@@ -514,14 +517,14 @@ class SILEQIIntegrator(SIIntegrator):
     """
     _num_stages = 2
 
-    def __call__(self, bos_conc, bos_rates, dt, source_rate, i):
+    def __call__(self, n_bos, bos_rates, dt, source_rate, i):
         """Perform the integration across one time step
 
         Parameters
         ----------
-        bos_conc : list of numpy.ndarray
-            Initial concentrations for all nuclides in [atom] for
-            all depletable materials
+        n_bos : list of numpy.ndarray
+            List of atom number arrays for each material. Each array in the list
+            contains the number of [atom] of each nuclide.
         bos_rates : list of openmc.deplete.ReactionRates
             Reaction rates from operator for all depletable materials
         dt : float
@@ -535,7 +538,7 @@ class SILEQIIntegrator(SIIntegrator):
         -------
         proc_time : float
             Time spent in CRAM routines for all materials in [s]
-        conc_list : list of numpy.ndarray
+        n_list : list of list of numpy.ndarray
             Concentrations at each of the intermediate points with
             the final concentration as the last element
         op_results : list of openmc.deplete.OperatorResult
@@ -547,7 +550,7 @@ class SILEQIIntegrator(SIIntegrator):
                 self._prev_rates = bos_rates
                 # Perform CELI for initial steps
                 return SICELIIntegrator.__call__(
-                    self, bos_conc, bos_rates, dt, source_rate, i)
+                    self, n_bos, bos_rates, dt, source_rate, i)
             prev_res = self.operator.prev_res[-2]
             prev_dt = self.timesteps[i] - prev_res.time[0]
             self._prev_rates = prev_res.rates[0]
@@ -557,16 +560,16 @@ class SILEQIIntegrator(SIIntegrator):
         # Perform remaining LE/QI
         inputs = list(zip(self._prev_rates, bos_rates,
                           repeat(prev_dt), repeat(dt)))
-        proc_time, inter_conc = self._timed_deplete(
-            bos_conc, inputs, dt, matrix_func=leqi_f1)
-        time1, eos_conc = self._timed_deplete(
-            inter_conc, inputs, dt, matrix_func=leqi_f2)
+        proc_time, n_inter = self._timed_deplete(
+            n_bos, inputs, dt, matrix_func=leqi_f1)
+        time1, n_eos = self._timed_deplete(
+            n_inter, inputs, dt, matrix_func=leqi_f2)
 
         proc_time += time1
-        inter_conc = copy.deepcopy(eos_conc)
+        n_inter = copy.deepcopy(n_eos)
 
         for j in range(self.n_steps + 1):
-            inter_res = self.operator(inter_conc, source_rate)
+            inter_res = self.operator(n_inter, source_rate)
 
             if j <= 1:
                 res_bar = copy.deepcopy(inter_res)
@@ -577,13 +580,13 @@ class SILEQIIntegrator(SIIntegrator):
 
             inputs = list(zip(self._prev_rates, bos_rates, res_bar.rates,
                               repeat(prev_dt), repeat(dt)))
-            time1, inter_conc = self._timed_deplete(
-                bos_conc, inputs, dt, matrix_func=leqi_f3)
-            time2, inter_conc = self._timed_deplete(
-                inter_conc, inputs, dt, matrix_func=leqi_f4)
+            time1, n_inter = self._timed_deplete(
+                n_bos, inputs, dt, matrix_func=leqi_f3)
+            time2, n_inter = self._timed_deplete(
+                n_inter, inputs, dt, matrix_func=leqi_f4)
             proc_time += time1 + time2
 
-        return proc_time, [eos_conc, inter_conc], [res_bar]
+        return proc_time, [n_eos, n_inter], [res_bar]
 
 
 integrator_by_name = {
diff --git a/openmc/deplete/pool.py b/openmc/deplete/pool.py
index 1fa5e26ac..9dc9ea468 100644
--- a/openmc/deplete/pool.py
+++ b/openmc/deplete/pool.py
@@ -4,8 +4,10 @@ Provided to avoid some circular imports
 """
 from itertools import repeat, starmap
 from multiprocessing import Pool
+
 from scipy.sparse import bmat
 import numpy as np
+
 from openmc.mpi import comm
 
 # Configurable switch that enables / disables the use of
@@ -38,28 +40,28 @@ def _distribute(items):
             return items[j:j + chunk_size]
         j += chunk_size
 
-def deplete(func, chain, x, rates, dt, matrix_func=None, transfer_rates=None,
+def deplete(func, chain, n, rates, dt, matrix_func=None, transfer_rates=None,
             *matrix_args):
     """Deplete materials using given reaction rates for a specified time
 
     Parameters
     ----------
     func : callable
-        Function to use to get new compositions. Expected to have the
-        signature ``func(A, n0, t) -> n1``
+        Function to use to get new compositions. Expected to have the signature
+        ``func(A, n0, t) -> n1``
     chain : openmc.deplete.Chain
         Depletion chain
-    x : list of numpy.ndarray
-        Atom number vectors for each material
+    n : list of numpy.ndarray
+        List of atom number arrays for each material. Each array in the list
+        contains the number of [atom] of each nuclide.
     rates : openmc.deplete.ReactionRates
         Reaction rates (from transport operator)
     dt : float
         Time in [s] to deplete for
     maxtrix_func : callable, optional
-        Function to form the depletion matrix after calling
-        ``matrix_func(chain, rates, fission_yields)``, where
-        ``fission_yields = {parent: {product: yield_frac}}``
-        Expected to return the depletion matrix required by
+        Function to form the depletion matrix after calling ``matrix_func(chain,
+        rates, fission_yields)``, where ``fission_yields = {parent: {product:
+        yield_frac}}`` Expected to return the depletion matrix required by
         ``func``
     transfer_rates : openmc.deplete.TransferRates, Optional
         Object to perform continuous reprocessing.
@@ -70,19 +72,20 @@ def deplete(func, chain, x, rates, dt, matrix_func=None, transfer_rates=None,
 
     Returns
     -------
-    x_result : list of numpy.ndarray
-        Updated atom number vectors for each material
+    n_result : list of numpy.ndarray
+        Updated list of atom number arrays for each material. Each array in the
+        list contains the number of [atom] of each nuclide.
 
     """
 
     fission_yields = chain.fission_yields
     if len(fission_yields) == 1:
         fission_yields = repeat(fission_yields[0])
-    elif len(fission_yields) != len(x):
+    elif len(fission_yields) != len(n):
         raise ValueError(
             "Number of material fission yield distributions {} is not "
             "equal to the number of compositions {}".format(
-                len(fission_yields), len(x)))
+                len(fission_yields), len(n)))
 
     if matrix_func is None:
         matrices = map(chain.form_matrix, rates, fission_yields)
@@ -101,12 +104,12 @@ def deplete(func, chain, x, rates, dt, matrix_func=None, transfer_rates=None,
         if len(transfer_rates.index_transfer) > 0:
             # Gather all on comm.rank 0
             matrices = comm.gather(matrices)
-            x = comm.gather(x)
+            n = comm.gather(n)
 
             if comm.rank == 0:
                 # Expand lists
                 matrices = [elm for matrix in matrices for elm in matrix]
-                x = [x_elm for x_mat in x for x_elm in x_mat]
+                n = [n_elm for n_mat in n for  n_elm in n_mat]
 
                 # Calculate transfer rate terms as diagonal matrices
                 transfer_pair = {
@@ -136,28 +139,28 @@ def deplete(func, chain, x, rates, dt, matrix_func=None, transfer_rates=None,
                 matrix = bmat(rows)
 
                 # Concatenate vectors of nuclides in one
-                x_multi = np.concatenate([xx for xx in x])
-                x_result = func(matrix, x_multi, dt)
+                n_multi = np.concatenate(n)
+                n_result = func(matrix, n_multi, dt)
 
                 # Split back the nuclide vector result into the original form
-                x_result = np.split(x_result, np.cumsum([len(i) for i in x])[:-1])
+                n_result = np.split(n_result, np.cumsum([len(i) for i in n])[:-1])
 
             else:
-                x_result = None
+                n_result = None
 
             # Braodcast result to other ranks
-            x_result = comm.bcast(x_result)
+            n_result = comm.bcast(n_result)
             # Distribute results across MPI
-            x_result = _distribute(x_result)
+            n_result = _distribute(n_result)
 
-            return x_result
+            return n_result
 
-    inputs = zip(matrices, x, repeat(dt))
+    inputs = zip(matrices, n, repeat(dt))
 
     if USE_MULTIPROCESSING:
         with Pool(NUM_PROCESSES) as pool:
-            x_result = list(pool.starmap(func, inputs))
+            n_result = list(pool.starmap(func, inputs))
     else:
-        x_result = list(starmap(func, inputs))
+        n_result = list(starmap(func, inputs))
 
-    return x_result
+    return n_result

From e3cd406a9b8ac6acf3b3f04419f132cead52459b Mon Sep 17 00:00:00 2001
From: Christopher Fichtlscherer
 <29277544+cfichtlscherer@users.noreply.github.com>
Date: Mon, 10 Jul 2023 05:50:08 +0200
Subject: [PATCH 1889/2654] Pulse height tally for photons (#2452)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 docs/source/usersguide/tallies.rst            |   5 +
 include/openmc/constants.h                    |   5 +-
 include/openmc/particle.h                     |   4 +
 include/openmc/particle_data.h                |   3 +
 include/openmc/tallies/tally.h                |   4 +
 include/openmc/tallies/tally_scoring.h        |   9 +-
 openmc/lib/tally.py                           |   4 +-
 src/output.cpp                                |   1 +
 src/particle.cpp                              |  64 ++++++
 src/particle_data.cpp                         |   5 +
 src/reaction.cpp                              |   1 +
 src/simulation.cpp                            |   3 +
 src/tallies/tally.cpp                         |  72 ++++++-
 src/tallies/tally_scoring.cpp                 |  76 +++++++
 .../regression_tests/pulse_height/__init__.py |   0
 .../pulse_height/inputs_true.dat              |  42 ++++
 .../pulse_height/results_true.dat             | 201 ++++++++++++++++++
 tests/regression_tests/pulse_height/test.py   |  51 +++++
 18 files changed, 538 insertions(+), 12 deletions(-)
 create mode 100644 tests/regression_tests/pulse_height/__init__.py
 create mode 100644 tests/regression_tests/pulse_height/inputs_true.dat
 create mode 100644 tests/regression_tests/pulse_height/results_true.dat
 create mode 100644 tests/regression_tests/pulse_height/test.py

diff --git a/docs/source/usersguide/tallies.rst b/docs/source/usersguide/tallies.rst
index 97ca319a2..28ce6795f 100644
--- a/docs/source/usersguide/tallies.rst
+++ b/docs/source/usersguide/tallies.rst
@@ -317,6 +317,11 @@ The following tables show all valid scores:
     |                      |particle. This corresponds to MT=444 produced by   |
     |                      |NJOY's HEATR module.                               |
     +----------------------+---------------------------------------------------+
+    |pulse-height          |The energy deposited by an entire photon's history |
+    |                      |(including its progeny). Units are eV per source   | 
+    |                      |particle. Note that this score can only be combined|
+    |                      |with a cell filter and an energy filter.           |   
+    +----------------------+---------------------------------------------------+
 
 .. _usersguide_tally_normalization:
 
diff --git a/include/openmc/constants.h b/include/openmc/constants.h
index 6a77396b7..2b9eaca29 100644
--- a/include/openmc/constants.h
+++ b/include/openmc/constants.h
@@ -279,7 +279,7 @@ enum class MgxsType {
 
 enum class TallyResult { VALUE, SUM, SUM_SQ, SIZE };
 
-enum class TallyType { VOLUME, MESH_SURFACE, SURFACE };
+enum class TallyType { VOLUME, MESH_SURFACE, SURFACE, PULSE_HEIGHT };
 
 enum class TallyEstimator { ANALOG, TRACKLENGTH, COLLISION };
 
@@ -307,7 +307,8 @@ enum TallyScore {
   SCORE_INVERSE_VELOCITY = -13,   // flux-weighted inverse velocity
   SCORE_FISS_Q_PROMPT = -14,      // prompt fission Q-value
   SCORE_FISS_Q_RECOV = -15,       // recoverable fission Q-value
-  SCORE_DECAY_RATE = -16          // delayed neutron precursor decay rate
+  SCORE_DECAY_RATE = -16,         // delayed neutron precursor decay rate
+  SCORE_PULSE_HEIGHT = -17        // pulse-height
 };
 
 // Global tally parameters
diff --git a/include/openmc/particle.h b/include/openmc/particle.h
index e3f23fd5b..376c9abf3 100644
--- a/include/openmc/particle.h
+++ b/include/openmc/particle.h
@@ -66,6 +66,10 @@ public:
   void event_revive_from_secondary();
   void event_death();
 
+  //! pulse-height recording
+  void pht_collision_energy();
+  void pht_secondary_particles();
+
   //! Cross a surface and handle boundary conditions
   void cross_surface();
 
diff --git a/include/openmc/particle_data.h b/include/openmc/particle_data.h
index c4f959666..6d86d528e 100644
--- a/include/openmc/particle_data.h
+++ b/include/openmc/particle_data.h
@@ -313,6 +313,8 @@ private:
 
   vector<NuBank> nu_bank_; // bank of most recently fissioned particles
 
+  vector<double> pht_storage_; // interim pulse-height results
+
   // Global tally accumulators
   double keff_tally_absorption_ {0.0};
   double keff_tally_collision_ {0.0};
@@ -444,6 +446,7 @@ public:
   decltype(tracks_)& tracks() { return tracks_; }
   decltype(nu_bank_)& nu_bank() { return nu_bank_; }
   NuBank& nu_bank(int i) { return nu_bank_[i]; }
+  vector<double>& pht_storage() { return pht_storage_; }
 
   double& keff_tally_absorption() { return keff_tally_absorption_; }
   double& keff_tally_collision() { return keff_tally_collision_; }
diff --git a/include/openmc/tallies/tally.h b/include/openmc/tallies/tally.h
index 303b1ebb1..2f0cddcf0 100644
--- a/include/openmc/tallies/tally.h
+++ b/include/openmc/tallies/tally.h
@@ -169,8 +169,10 @@ public:
   // We need to have quick access to some filters.  The following gives indices
   // for various filters that could be in the tally or C_NONE if they are not
   // present.
+  int energy_filter_ {C_NONE};
   int energyout_filter_ {C_NONE};
   int delayedgroup_filter_ {C_NONE};
+  int cell_filter_ {C_NONE};
 
   vector<Trigger> triggers_;
 
@@ -206,6 +208,8 @@ extern vector<int> active_tracklength_tallies;
 extern vector<int> active_collision_tallies;
 extern vector<int> active_meshsurf_tallies;
 extern vector<int> active_surface_tallies;
+extern vector<int> active_pulse_height_tallies;
+extern vector<int> pulse_height_cells;
 } // namespace model
 
 namespace simulation {
diff --git a/include/openmc/tallies/tally_scoring.h b/include/openmc/tallies/tally_scoring.h
index 85d0fc58f..28f1f1622 100644
--- a/include/openmc/tallies/tally_scoring.h
+++ b/include/openmc/tallies/tally_scoring.h
@@ -94,9 +94,16 @@ void score_tracklength_tally(Particle& p, double distance);
 //! Score surface or mesh-surface tallies for particle currents.
 //
 //! \param p The particle being tracked
-//! \param tallies A vector of tallies to score to
+//! \param tallies A vector of the indices of the tallies to score to
 void score_surface_tally(Particle& p, const vector<int>& tallies);
 
+//! Score the pulse-height tally
+//! This is triggered at the end of every particle history
+//
+//! \param p The particle being tracked
+//! \param tallies A vector of the indices of the tallies to score to
+void score_pulse_height_tally(Particle& p, const vector<int>& tallies);
+
 } // namespace openmc
 
 #endif // OPENMC_TALLIES_TALLY_SCORING_H
diff --git a/openmc/lib/tally.py b/openmc/lib/tally.py
index f327692e7..417d084a6 100644
--- a/openmc/lib/tally.py
+++ b/openmc/lib/tally.py
@@ -104,13 +104,13 @@ _SCORES = {
     -5: 'absorption', -6: 'fission', -7: 'nu-fission', -8: 'kappa-fission',
     -9: 'current', -10: 'events', -11: 'delayed-nu-fission',
     -12: 'prompt-nu-fission', -13: 'inverse-velocity', -14: 'fission-q-prompt',
-    -15: 'fission-q-recoverable', -16: 'decay-rate'
+    -15: 'fission-q-recoverable', -16: 'decay-rate', -17: 'pulse-height'
 }
 _ESTIMATORS = {
     0: 'analog', 1: 'tracklength', 2: 'collision'
 }
 _TALLY_TYPES = {
-    0: 'volume', 1: 'mesh-surface', 2: 'surface'
+    0: 'volume', 1: 'mesh-surface', 2: 'surface', 3: 'pulse-height'
 }
 
 
diff --git a/src/output.cpp b/src/output.cpp
index 2b0a4024c..17e158d3f 100644
--- a/src/output.cpp
+++ b/src/output.cpp
@@ -594,6 +594,7 @@ const std::unordered_map<int, const char*> score_names = {
   {SCORE_FISS_Q_PROMPT, "Prompt fission power"},
   {SCORE_FISS_Q_RECOV, "Recoverable fission power"},
   {SCORE_CURRENT, "Current"},
+  {SCORE_PULSE_HEIGHT, "pulse-height"},
 };
 
 //! Create an ASCII output file showing all tally results.
diff --git a/src/particle.cpp b/src/particle.cpp
index f455ab834..8dd4a12e5 100644
--- a/src/particle.cpp
+++ b/src/particle.cpp
@@ -17,6 +17,7 @@
 #include "openmc/message_passing.h"
 #include "openmc/mgxs_interface.h"
 #include "openmc/nuclide.h"
+#include "openmc/particle_data.h"
 #include "openmc/photon.h"
 #include "openmc/physics.h"
 #include "openmc/physics_mg.h"
@@ -290,6 +291,11 @@ void Particle::event_collide()
     }
   }
 
+  if (!model::active_pulse_height_tallies.empty() &&
+      type() == ParticleType::photon) {
+    pht_collision_energy();
+  }
+
   // Reset banked weight during collision
   n_bank() = 0;
   n_bank_second() = 0;
@@ -354,6 +360,25 @@ void Particle::event_revive_from_secondary()
     secondary_bank().pop_back();
     n_event() = 0;
 
+    // Subtract secondary particle energy from interim pulse-height results
+    if (!model::active_pulse_height_tallies.empty() &&
+        this->type() == ParticleType::photon) {
+      // Since the birth cell of the particle has not been set we
+      // have to determine it before the energy of the secondary particle can be
+      // removed from the pulse-height of this cell.
+      if (coord(n_coord() - 1).cell == C_NONE) {
+        if (!exhaustive_find_cell(*this)) {
+          mark_as_lost("Could not find the cell containing particle " +
+                       std::to_string(id()));
+          return;
+        }
+        // Set birth cell attribute
+        if (cell_born() == C_NONE)
+          cell_born() = coord(n_coord() - 1).cell;
+      }
+      pht_secondary_particles();
+    }
+
     // Enter new particle in particle track file
     if (write_track())
       add_particle_track(*this);
@@ -387,6 +412,10 @@ void Particle::event_death()
   keff_tally_tracklength() = 0.0;
   keff_tally_leakage() = 0.0;
 
+  if (!model::active_pulse_height_tallies.empty()) {
+    score_pulse_height_tally(*this, model::active_pulse_height_tallies);
+  }
+
   // Record the number of progeny created by this particle.
   // This data will be used to efficiently sort the fission bank.
   if (settings::run_mode == RunMode::EIGENVALUE) {
@@ -395,6 +424,41 @@ void Particle::event_death()
   }
 }
 
+void Particle::pht_collision_energy()
+{
+  // Adds the energy particles lose in a collision to the pulse-height
+
+  // determine index of cell in pulse_height_cells
+  auto it = std::find(model::pulse_height_cells.begin(),
+    model::pulse_height_cells.end(), coord(n_coord() - 1).cell);
+
+  if (it != model::pulse_height_cells.end()) {
+    int index = std::distance(model::pulse_height_cells.begin(), it);
+    pht_storage()[index] += E_last() - E();
+
+    // If the energy of the particle is below the cutoff, it will not be sampled
+    // so its energy is added to the pulse-height in the cell
+    int photon = static_cast<int>(ParticleType::photon);
+    if (E() < settings::energy_cutoff[photon]) {
+      pht_storage()[index] += E();
+    }
+  }
+}
+
+void Particle::pht_secondary_particles()
+{
+  // Removes the energy of secondary produced particles from the pulse-height
+
+  // determine index of cell in pulse_height_cells
+  auto it = std::find(model::pulse_height_cells.begin(),
+    model::pulse_height_cells.end(), cell_born());
+
+  if (it != model::pulse_height_cells.end()) {
+    int index = std::distance(model::pulse_height_cells.begin(), it);
+    pht_storage()[index] -= E();
+  }
+}
+
 void Particle::cross_surface()
 {
   int i_surface = std::abs(surface());
diff --git a/src/particle_data.cpp b/src/particle_data.cpp
index a2be72084..0fc7202c5 100644
--- a/src/particle_data.cpp
+++ b/src/particle_data.cpp
@@ -53,6 +53,11 @@ ParticleData::ParticleData()
   // Create microscopic cross section caches
   neutron_xs_.resize(data::nuclides.size());
   photon_xs_.resize(data::elements.size());
+
+  // Creates the pulse-height storage for the particle
+  if (!model::pulse_height_cells.empty()) {
+    pht_storage_.resize(model::pulse_height_cells.size(), 0.0);
+  }
 }
 
 TrackState ParticleData::get_track_state() const
diff --git a/src/reaction.cpp b/src/reaction.cpp
index ec9d32f9a..0643cb08b 100644
--- a/src/reaction.cpp
+++ b/src/reaction.cpp
@@ -171,6 +171,7 @@ std::unordered_map<int, std::string> REACTION_NAME_MAP {
   {SCORE_INVERSE_VELOCITY, "inverse-velocity"},
   {SCORE_FISS_Q_PROMPT, "fission-q-prompt"},
   {SCORE_FISS_Q_RECOV, "fission-q-recoverable"},
+  {SCORE_PULSE_HEIGHT, "pulse-height"},
   // Normal ENDF-based reactions
   {TOTAL_XS, "(n,total)"},
   {ELASTIC, "(n,elastic)"},
diff --git a/src/simulation.cpp b/src/simulation.cpp
index 310629936..a7aea6942 100644
--- a/src/simulation.cpp
+++ b/src/simulation.cpp
@@ -550,6 +550,9 @@ void initialize_history(Particle& p, int64_t index_source)
   // Reset weight window ratio
   p.ww_factor() = 0.0;
 
+  // Reset pulse_height_storage
+  std::fill(p.pht_storage().begin(), p.pht_storage().end(), 0);
+
   // set random number seed
   int64_t particle_seed =
     (simulation::total_gen + overall_generation() - 1) * settings::n_particles +
diff --git a/src/tallies/tally.cpp b/src/tallies/tally.cpp
index c9c977ea9..7fd444a58 100644
--- a/src/tallies/tally.cpp
+++ b/src/tallies/tally.cpp
@@ -3,6 +3,7 @@
 #include "openmc/array.h"
 #include "openmc/capi.h"
 #include "openmc/constants.h"
+#include "openmc/container_util.h"
 #include "openmc/error.h"
 #include "openmc/file_utils.h"
 #include "openmc/mesh.h"
@@ -18,6 +19,7 @@
 #include "openmc/tallies/derivative.h"
 #include "openmc/tallies/filter.h"
 #include "openmc/tallies/filter_cell.h"
+#include "openmc/tallies/filter_cellborn.h"
 #include "openmc/tallies/filter_cellfrom.h"
 #include "openmc/tallies/filter_collision.h"
 #include "openmc/tallies/filter_delayedgroup.h"
@@ -55,6 +57,8 @@ vector<int> active_tracklength_tallies;
 vector<int> active_collision_tallies;
 vector<int> active_meshsurf_tallies;
 vector<int> active_surface_tallies;
+vector<int> active_pulse_height_tallies;
+vector<int> pulse_height_cells;
 } // namespace model
 
 namespace simulation {
@@ -175,6 +179,16 @@ Tally::Tally(pugi::xml_node node)
   }
 
   // Check if tally is compatible with particle type
+  if (!settings::photon_transport) {
+    for (int score : scores_) {
+      switch (score) {
+      case SCORE_PULSE_HEIGHT:
+        fatal_error(
+          "For pulse-height tallies, photon transport needs to be activated.");
+        break;
+      }
+    }
+  }
   if (settings::photon_transport) {
     if (particle_filter_index == C_NONE) {
       for (int score : scores_) {
@@ -409,10 +423,14 @@ void Tally::add_filter(Filter* filter)
     return;
 
   // Keep track of indices for special filters
-  if (dynamic_cast<const EnergyoutFilter*>(filter)) {
+  if (filter->type() == FilterType::ENERGY_OUT) {
     energyout_filter_ = filters_.size();
-  } else if (dynamic_cast<const DelayedGroupFilter*>(filter)) {
+  } else if (filter->type() == FilterType::DELAYED_GROUP) {
     delayedgroup_filter_ = filters_.size();
+  } else if (filter->type() == FilterType::CELL) {
+    cell_filter_ = filters_.size();
+  } else if (filter->type() == FilterType::ENERGY) {
+    energy_filter_ = filters_.size();
   }
   filters_.push_back(filter_idx);
 }
@@ -454,17 +472,23 @@ void Tally::set_scores(const vector<std::string>& scores)
   bool cellfrom_present = false;
   bool surface_present = false;
   bool meshsurface_present = false;
+  bool non_cell_energy_present = false;
   for (auto i_filt : filters_) {
     const auto* filt {model::tally_filters[i_filt].get()};
-    if (dynamic_cast<const LegendreFilter*>(filt)) {
+    // Checking for only cell and energy filters for pulse-height tally
+    if (!(filt->type() == FilterType::CELL ||
+          filt->type() == FilterType::ENERGY)) {
+      non_cell_energy_present = true;
+    }
+    if (filt->type() == FilterType::LEGENDRE) {
       legendre_present = true;
-    } else if (dynamic_cast<const CellFromFilter*>(filt)) {
+    } else if (filt->type() == FilterType::CELLFROM) {
       cellfrom_present = true;
-    } else if (dynamic_cast<const CellFilter*>(filt)) {
+    } else if (filt->type() == FilterType::CELL) {
       cell_present = true;
-    } else if (dynamic_cast<const SurfaceFilter*>(filt)) {
+    } else if (filt->type() == FilterType::SURFACE) {
       surface_present = true;
-    } else if (dynamic_cast<const MeshSurfaceFilter*>(filt)) {
+    } else if (filt->type() == FilterType::MESH_SURFACE) {
       meshsurface_present = true;
     }
   }
@@ -536,6 +560,31 @@ void Tally::set_scores(const vector<std::string>& scores)
       if (settings::photon_transport)
         estimator_ = TallyEstimator::COLLISION;
       break;
+
+    case SCORE_PULSE_HEIGHT:
+      if (non_cell_energy_present) {
+        fatal_error("Pulse-height tallies are not compatible with filters "
+                    "other than CellFilter and EnergyFilter");
+      }
+      type_ = TallyType::PULSE_HEIGHT;
+
+      // Collecting indices of all cells covered by the filters in the pulse
+      // height tally in global variable pulse_height_cells
+      for (const auto& i_filt : filters_) {
+        auto cell_filter =
+          dynamic_cast<CellFilter*>(model::tally_filters[i_filt].get());
+        if (cell_filter) {
+          const auto& cells = cell_filter->cells();
+          for (int i = 0; i < cell_filter->n_bins(); i++) {
+            int cell_index = cells[i];
+            if (!contains(model::pulse_height_cells, cell_index)) {
+              model::pulse_height_cells.push_back(cell_index);
+            }
+          }
+        }
+      }
+
+      break;
     }
 
     scores_.push_back(score);
@@ -953,6 +1002,7 @@ void setup_active_tallies()
   model::active_collision_tallies.clear();
   model::active_meshsurf_tallies.clear();
   model::active_surface_tallies.clear();
+  model::active_pulse_height_tallies.clear();
 
   for (auto i = 0; i < model::tallies.size(); ++i) {
     const auto& tally {*model::tallies[i]};
@@ -980,6 +1030,11 @@ void setup_active_tallies()
 
       case TallyType::SURFACE:
         model::active_surface_tallies.push_back(i);
+        break;
+
+      case TallyType::PULSE_HEIGHT:
+        model::active_pulse_height_tallies.push_back(i);
+        break;
       }
     }
   }
@@ -1001,6 +1056,7 @@ void free_memory_tally()
   model::active_collision_tallies.clear();
   model::active_meshsurf_tallies.clear();
   model::active_surface_tallies.clear();
+  model::active_pulse_height_tallies.clear();
 
   model::tally_map.clear();
 }
@@ -1122,6 +1178,8 @@ extern "C" int openmc_tally_set_type(int32_t index, const char* type)
     model::tallies[index]->type_ = TallyType::MESH_SURFACE;
   } else if (strcmp(type, "surface") == 0) {
     model::tallies[index]->type_ = TallyType::SURFACE;
+  } else if (strcmp(type, "pulse-height") == 0) {
+    model::tallies[index]->type_ = TallyType::PULSE_HEIGHT;
   } else {
     set_errmsg(fmt::format("Unknown tally type: {}", type));
     return OPENMC_E_INVALID_ARGUMENT;
diff --git a/src/tallies/tally_scoring.cpp b/src/tallies/tally_scoring.cpp
index 3e58fec05..47fe4d1be 100644
--- a/src/tallies/tally_scoring.cpp
+++ b/src/tallies/tally_scoring.cpp
@@ -15,6 +15,7 @@
 #include "openmc/string_utils.h"
 #include "openmc/tallies/derivative.h"
 #include "openmc/tallies/filter.h"
+#include "openmc/tallies/filter_cell.h"
 #include "openmc/tallies/filter_delayedgroup.h"
 #include "openmc/tallies/filter_energy.h"
 
@@ -2498,4 +2499,79 @@ void score_surface_tally(Particle& p, const vector<int>& tallies)
     match.bins_present_ = false;
 }
 
+void score_pulse_height_tally(Particle& p, const vector<int>& tallies)
+{
+  // The pulse height tally in OpenMC hijacks the logic of CellFilter and
+  // EnergyFilter to score specific quantities related to particle pulse height.
+  // This is achieved by setting the pulse-height cell of the tally to the cell
+  // of the particle being scored, and the energy to the particle's last
+  // recorded energy (E_last()). After the tally is scored, the values are reset
+  // to ensure proper accounting and avoid interference with subsequent
+  // calculations or tallies.
+
+  // Save original cell/energy information
+  int orig_n_coord = p.n_coord();
+  int orig_cell = p.coord(0).cell;
+  double orig_E_last = p.E_last();
+
+  for (auto i_tally : tallies) {
+    auto& tally {*model::tallies[i_tally]};
+
+    // Determine all CellFilter in the tally
+    for (const auto& filter : tally.filters()) {
+      auto cell_filter =
+        dynamic_cast<CellFilter*>(model::tally_filters[filter].get());
+      if (cell_filter != nullptr) {
+
+        const auto& cells = cell_filter->cells();
+        // Loop over all cells in the CellFilter
+        for (auto cell_index = 0; cell_index < cells.size(); ++cell_index) {
+          int cell_id = cells[cell_index];
+
+          // Temporarily change cell of particle
+          p.n_coord() = 1;
+          p.coord(0).cell = cell_id;
+
+          // Determine index of cell in model::pulse_height_cells
+          auto it = std::find(model::pulse_height_cells.begin(),
+            model::pulse_height_cells.end(), cell_id);
+          int index = std::distance(model::pulse_height_cells.begin(), it);
+
+          // Temporarily change energy of particle to pulse-height value
+          p.E_last() = p.pht_storage()[index];
+
+          // Initialize an iterator over valid filter bin combinations. If
+          // there are no valid combinations, use a continue statement to ensure
+          // we skip the assume_separate break below.
+          auto filter_iter = FilterBinIter(tally, p);
+          auto end = FilterBinIter(tally, true, &p.filter_matches());
+          if (filter_iter == end)
+            continue;
+
+          // Loop over filter bins.
+          for (; filter_iter != end; ++filter_iter) {
+            auto filter_index = filter_iter.index_;
+            auto filter_weight = filter_iter.weight_;
+
+            // Loop over scores.
+            for (auto score_index = 0; score_index < tally.scores_.size();
+                 ++score_index) {
+#pragma omp atomic
+              tally.results_(filter_index, score_index, TallyResult::VALUE) +=
+                filter_weight;
+            }
+          }
+
+          // Reset all the filter matches for the next tally event.
+          for (auto& match : p.filter_matches())
+            match.bins_present_ = false;
+        }
+      }
+    }
+    // Restore cell/energy
+    p.n_coord() = orig_n_coord;
+    p.coord(0).cell = orig_cell;
+    p.E_last() = orig_E_last;
+  }
+}
 } // namespace openmc
diff --git a/tests/regression_tests/pulse_height/__init__.py b/tests/regression_tests/pulse_height/__init__.py
new file mode 100644
index 000000000..e69de29bb
diff --git a/tests/regression_tests/pulse_height/inputs_true.dat b/tests/regression_tests/pulse_height/inputs_true.dat
new file mode 100644
index 000000000..544ddb097
--- /dev/null
+++ b/tests/regression_tests/pulse_height/inputs_true.dat
@@ -0,0 +1,42 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material id="1">
+      <density units="g/cc" value="3.7"/>
+      <nuclide ao="1.0" name="Na23"/>
+      <nuclide ao="1.0" name="I127"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" name="inner sphere" region="-1" universe="1"/>
+    <cell id="2" material="void" name="outer sphere" region="1 -2" universe="1"/>
+    <surface coeffs="0.0 0.0 0.0 1" id="1" type="sphere"/>
+    <surface boundary="vacuum" coeffs="0.0 0.0 0.0 2" id="2" type="sphere"/>
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>100</particles>
+    <batches>5</batches>
+    <source particle="photon" strength="1.0" type="independent">
+      <space type="point">
+        <parameters>0.0 0.0 0.0</parameters>
+      </space>
+      <energy type="discrete">
+        <parameters>1000000.0 1.0</parameters>
+      </energy>
+    </source>
+    <photon_transport>true</photon_transport>
+  </settings>
+  <tallies>
+    <filter id="1" type="cell">
+      <bins>1</bins>
+    </filter>
+    <filter id="2" type="energy">
+      <bins>0.0 10000.0 20000.0 30000.0 40000.0 50000.0 60000.0 70000.0 80000.0 90000.0 100000.0 110000.0 120000.0 130000.0 140000.0 150000.0 160000.0 170000.0 180000.0 190000.0 200000.0 210000.0 220000.0 230000.0 240000.0 250000.0 260000.0 270000.0 280000.0 290000.0 300000.0 310000.0 320000.0 330000.0 340000.0 350000.0 360000.0 370000.0 380000.0 390000.0 400000.0 410000.0 420000.0 430000.0 440000.0 450000.0 460000.0 470000.0 480000.0 490000.0 500000.0 510000.0 520000.0 530000.0 540000.0 550000.0 560000.0 570000.0 580000.0 590000.0 600000.0 610000.0 620000.0 630000.0 640000.0 650000.0 660000.0 670000.0 680000.0 690000.0 700000.0 710000.0 720000.0 730000.0 740000.0 750000.0 760000.0 770000.0 780000.0 790000.0 800000.0 810000.0 820000.0 830000.0 840000.0 850000.0 860000.0 870000.0 880000.0 890000.0 900000.0 910000.0 920000.0 930000.0 940000.0 950000.0 960000.0 970000.0 980000.0 990000.0 1000000.0</bins>
+    </filter>
+    <tally id="1" name="pht tally">
+      <filters>1 2</filters>
+      <scores>pulse-height</scores>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/pulse_height/results_true.dat b/tests/regression_tests/pulse_height/results_true.dat
new file mode 100644
index 000000000..c57e8ff1c
--- /dev/null
+++ b/tests/regression_tests/pulse_height/results_true.dat
@@ -0,0 +1,201 @@
+tally 1:
+4.140000E+00
+3.443000E+00
+1.000000E-02
+1.000000E-04
+1.000000E-02
+1.000000E-04
+1.000000E-02
+1.000000E-04
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+1.000000E-02
+1.000000E-04
+1.000000E-02
+1.000000E-04
+1.000000E-02
+1.000000E-04
+0.000000E+00
+0.000000E+00
+1.000000E-02
+1.000000E-04
+3.000000E-02
+5.000000E-04
+2.000000E-02
+4.000000E-04
+2.000000E-02
+4.000000E-04
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+3.000000E-02
+3.000000E-04
+1.000000E-02
+1.000000E-04
+1.000000E-02
+1.000000E-04
+1.000000E-02
+1.000000E-04
+1.000000E-02
+1.000000E-04
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+1.000000E-02
+1.000000E-04
+1.000000E-02
+1.000000E-04
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+1.000000E-02
+1.000000E-04
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+4.000000E-02
+6.000000E-04
+1.000000E-02
+1.000000E-04
+0.000000E+00
+0.000000E+00
+2.000000E-02
+2.000000E-04
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+1.000000E-02
+1.000000E-04
+0.000000E+00
+0.000000E+00
+1.000000E-02
+1.000000E-04
+0.000000E+00
+0.000000E+00
+1.000000E-02
+1.000000E-04
+2.000000E-02
+4.000000E-04
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+2.000000E-02
+2.000000E-04
+1.000000E-02
+1.000000E-04
+1.000000E-02
+1.000000E-04
+1.000000E-02
+1.000000E-04
+1.000000E-02
+1.000000E-04
+3.000000E-02
+5.000000E-04
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+1.000000E-02
+1.000000E-04
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+2.000000E-02
+2.000000E-04
+0.000000E+00
+0.000000E+00
+1.000000E-02
+1.000000E-04
+2.000000E-02
+2.000000E-04
+1.000000E-02
+1.000000E-04
+1.000000E-02
+1.000000E-04
+2.000000E-02
+2.000000E-04
+1.000000E-02
+1.000000E-04
+1.000000E-02
+1.000000E-04
+3.000000E-02
+5.000000E-04
+0.000000E+00
+0.000000E+00
+1.000000E-02
+1.000000E-04
+0.000000E+00
+0.000000E+00
+1.000000E-02
+1.000000E-04
+1.000000E-02
+1.000000E-04
+1.000000E-02
+1.000000E-04
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+2.000000E-02
+2.000000E-04
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+2.000000E-01
+8.600000E-03
diff --git a/tests/regression_tests/pulse_height/test.py b/tests/regression_tests/pulse_height/test.py
new file mode 100644
index 000000000..c6459a866
--- /dev/null
+++ b/tests/regression_tests/pulse_height/test.py
@@ -0,0 +1,51 @@
+import numpy as np
+import openmc
+import pytest
+
+from tests.testing_harness import PyAPITestHarness
+
+
+@pytest.fixture
+def sphere_model():
+    
+    model = openmc.model.Model()
+
+    # Define materials
+    NaI = openmc.Material()
+    NaI.set_density('g/cc', 3.7)
+    NaI.add_element('Na', 1.0)
+    NaI.add_element('I', 1.0)
+
+    model.materials = openmc.Materials([NaI])
+
+    # Define geometry: two spheres in each other
+    s1 = openmc.Sphere(r=1)
+    s2 = openmc.Sphere(r=2, boundary_type='vacuum')
+    inner_sphere = openmc.Cell(name='inner sphere', fill=NaI, region=-s1)
+    outer_sphere = openmc.Cell(name='outer sphere', region=+s1 & -s2)
+    model.geometry = openmc.Geometry([inner_sphere, outer_sphere])
+
+    # Define settings
+    model.settings.run_mode = 'fixed source'
+    model.settings.batches = 5
+    model.settings.particles = 100
+    model.settings.photon_transport = True
+    model.settings.source = openmc.Source(space=openmc.stats.Point(),
+                                          energy=openmc.stats.Discrete([1e6],[1]),
+                                          particle='photon')
+
+    # Define tallies
+    tally = openmc.Tally(name="pht tally")
+    tally.scores = ['pulse-height']
+    cell_filter = openmc.CellFilter(inner_sphere)
+    energy_filter = openmc.EnergyFilter(np.linspace(0, 1_000_000, 101))
+    tally.filters = [cell_filter, energy_filter]
+    model.tallies = [tally]
+
+    return model
+
+
+
+def test_pulse_height(sphere_model):
+    harness = PyAPITestHarness('statepoint.5.h5', sphere_model)
+    harness.main()

From 3e1a5a552aaa639b7fb08657420015ab20de6fce Mon Sep 17 00:00:00 2001
From: Nicola Rizzi <nrizzi95@gmail.com>
Date: Mon, 10 Jul 2023 06:51:43 +0200
Subject: [PATCH 1890/2654] Support for NCrystal material in from_xml_element
 (#2496)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/material.py                      |  5 +++++
 tests/regression_tests/ncrystal/test.py | 25 +++++++++++++++++++++++++
 2 files changed, 30 insertions(+)

diff --git a/openmc/material.py b/openmc/material.py
index 5f28535db..4e3fdac81 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -1452,6 +1452,11 @@ class Material(IDManagerMixin):
 
         """
         mat_id = int(elem.get('id'))
+        # Add NCrystal material from cfg string
+        if "cfg" in elem.attrib:
+            cfg = elem.get("cfg")
+            return Material.from_ncrystal(cfg, material_id=mat_id)
+     
         mat = cls(mat_id)
         mat.name = elem.get('name')
 
diff --git a/tests/regression_tests/ncrystal/test.py b/tests/regression_tests/ncrystal/test.py
index 03994e0d3..e1c1e5ed6 100644
--- a/tests/regression_tests/ncrystal/test.py
+++ b/tests/regression_tests/ncrystal/test.py
@@ -1,4 +1,6 @@
 from math import pi
+import filecmp
+from difflib import unified_diff
 
 import numpy as np
 import openmc
@@ -78,3 +80,26 @@ def test_ncrystal():
     test = pencil_beam_model(cfg, E0, n_particles)
     harness = NCrystalTest('statepoint.10.h5', model=test)
     harness.main()
+
+
+def test_cfg_from_xml():
+    """Make sure the cfg string is read by from_xml method"""
+    n_particles = 100000
+    E0 = 0.012  # eV
+    cfg = 'Al_sg225.ncmat'
+    model = pencil_beam_model(cfg, E0, n_particles)
+    #export the original material generated with cfg string
+    model.materials.export_to_xml('materials.xml.orig')
+    expected = open('materials.xml.orig', 'r').readlines()
+    #read back the original material
+    mats_from_xml = openmc.Materials.from_xml('materials.xml.orig')
+    #export again
+    mats_from_xml.export_to_xml('materials.xml.after')
+    actual = open('materials.xml.after', 'r').readlines()
+    compare = filecmp.cmp('materials.xml.orig','materials.xml.after')
+    if not compare:
+        diff = unified_diff(expected, actual, 'materials.xml.orig',
+                           'materials.xml.after')
+        print('Input differences:')
+        print(''.join(diff))
+    assert compare, 'Materials not read correctly from XML'

From 0666e3a4f6d1e0c6400f640e8d560804ca007919 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 13 Jul 2023 20:16:27 -0500
Subject: [PATCH 1891/2654] Fix for muir std. dev. (#2598)

---
 openmc/stats/univariate.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/stats/univariate.py b/openmc/stats/univariate.py
index 5625d26ac..b5720e23c 100644
--- a/openmc/stats/univariate.py
+++ b/openmc/stats/univariate.py
@@ -747,7 +747,7 @@ def muir(e0, m_rat, kt):
 
     """
     # https://permalink.lanl.gov/object/tr?what=info:lanl-repo/lareport/LA-05411-MS
-    std_dev = math.sqrt(4 * e0 * kt / m_rat)
+    std_dev = math.sqrt(2 * e0 * kt / m_rat)
     return Normal(e0, std_dev)
 
 

From c5f551103f949099a414d4d289e545fc7ca2838d Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 14 Jul 2023 13:43:47 -0500
Subject: [PATCH 1892/2654] Bank surface source particles in all active cycles
 (#2592)

Co-authored-by: Jose Ignacio Marquez Damian <22483345+marquezj@users.noreply.github.com>
---
 include/openmc/shared_array.h                 |   3 +++
 src/particle.cpp                              |   3 ++-
 .../surface_source/surface_source_true.h5     | Bin 106144 -> 106144 bytes
 tests/regression_tests/surface_source/test.py |   5 +++++
 4 files changed, 10 insertions(+), 1 deletion(-)

diff --git a/include/openmc/shared_array.h b/include/openmc/shared_array.h
index 676481296..7e9ef28c5 100644
--- a/include/openmc/shared_array.h
+++ b/include/openmc/shared_array.h
@@ -107,6 +107,9 @@ public:
   //! \param size The new size of the container
   void resize(int64_t size) { size_ = size; }
 
+  //! Return whether the array is full
+  bool full() const { return size_ == capacity_; }
+
   //! Return the number of elements that the container has currently allocated
   //! space for.
   int64_t capacity() { return capacity_; }
diff --git a/src/particle.cpp b/src/particle.cpp
index 8dd4a12e5..200bcc6d6 100644
--- a/src/particle.cpp
+++ b/src/particle.cpp
@@ -468,7 +468,8 @@ void Particle::cross_surface()
     write_message(1, "    Crossing surface {}", surf->id_);
   }
 
-  if (surf->surf_source_ && simulation::current_batch == settings::n_batches) {
+  if (surf->surf_source_ && simulation::current_batch > settings::n_inactive &&
+      !simulation::surf_source_bank.full()) {
     SourceSite site;
     site.r = r();
     site.u = u();
diff --git a/tests/regression_tests/surface_source/surface_source_true.h5 b/tests/regression_tests/surface_source/surface_source_true.h5
index 9090c9fac498c9bf36710154a028cd48ad748e8b..f2055d09dc3b668cc2fe85057cd999779788e9d7 100644
GIT binary patch
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diff --git a/tests/regression_tests/surface_source/test.py b/tests/regression_tests/surface_source/test.py
index 1647266f6..a25b40064 100644
--- a/tests/regression_tests/surface_source/test.py
+++ b/tests/regression_tests/surface_source/test.py
@@ -7,6 +7,7 @@ import pytest
 import openmc
 
 from tests.testing_harness import PyAPITestHarness
+from tests.regression_tests import config
 
 
 @pytest.fixture
@@ -118,10 +119,14 @@ class SurfaceSourceTestHarness(PyAPITestHarness):
 
 @pytest.mark.surf_source_op('write')
 def test_surface_source_write(model):
+    # Test result is based on 1 MPI process
+    np = config['mpi_np']
+    config['mpi_np'] = '1'
     harness = SurfaceSourceTestHarness('statepoint.10.h5',
                                        model,
                                        'inputs_true_write.dat')
     harness.main()
+    config['mpi_np'] = np
 
 
 @pytest.mark.surf_source_op('read')

From 3f9cd0d7cb982428295cff25963f4ee2726d34a9 Mon Sep 17 00:00:00 2001
From: Egor Afanasenko <60288416+egor1abs@users.noreply.github.com>
Date: Sat, 15 Jul 2023 00:20:30 +0300
Subject: [PATCH 1893/2654] Fix R < r torus intersection bug (#2589)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 src/surface.cpp | 9 ++++++++-
 1 file changed, 8 insertions(+), 1 deletion(-)

diff --git a/src/surface.cpp b/src/surface.cpp
index 3050cf104..01e2f275e 100644
--- a/src/surface.cpp
+++ b/src/surface.cpp
@@ -972,7 +972,14 @@ double torus_distance(double x1, double x2, double x3, double u1, double u2,
     if (roots[i].imag() == 0) {
       double root = roots[i].real();
       if (root > cutoff && root < distance) {
-        distance = root;
+        // Avoid roots corresponding to internal surfaces
+        double s1 = x1 + u1 * root;
+        double s2 = x2 + u2 * root;
+        double s3 = x3 + u3 * root;
+        double check = D * s3 * s3 + s1 * s1 + s2 * s2 + A * A - C * C;
+        if (check >= 0) {
+          distance = root;
+        }
       }
     }
   }

From 922b3f9de6ccf3eb1e61171c3b48d51b62875884 Mon Sep 17 00:00:00 2001
From: Olek <45364492+yardasol@users.noreply.github.com>
Date: Tue, 18 Jul 2023 12:11:06 -0500
Subject: [PATCH 1894/2654] Cylindrical prism with optional filleted edges
 (#2309)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
Co-authored-by: Patrick Shriwise <pshriwise@gmail.com>
Co-authored-by: Paul Wilson <paul.wilson@wisc.edu>
---
 openmc/model/funcs.py                      |  68 ++++-----
 openmc/model/surface_composite.py          | 154 ++++++++++++++++++++-
 tests/unit_tests/test_surface_composite.py |  66 ++++-----
 3 files changed, 221 insertions(+), 67 deletions(-)

diff --git a/openmc/model/funcs.py b/openmc/model/funcs.py
index 41cede08e..cbf356651 100644
--- a/openmc/model/funcs.py
+++ b/openmc/model/funcs.py
@@ -5,12 +5,9 @@ from numbers import Real
 from operator import attrgetter
 from warnings import warn
 
-from openmc import (
-    XPlane, YPlane, Plane, ZCylinder, Cylinder, XCylinder,
-    YCylinder, Universe, Cell)
-from ..checkvalue import (
-    check_type, check_value, check_length, check_less_than,
-    check_iterable_type)
+from openmc import Plane, Cylinder, Universe, Cell
+from ..checkvalue import (check_type, check_value, check_length,
+                          check_less_than, check_iterable_type)
 import openmc.data
 
 
@@ -111,6 +108,13 @@ def borated_water(boron_ppm, temperature=293., pressure=0.1013, temp_unit='K',
     return out
 
 
+# Define function to create a plane on given axis
+def _plane(axis, name, value, boundary_type='transmission'):
+        cls = getattr(openmc, f'{axis.upper()}Plane')
+        return cls(value, name=f'{name} {axis}',
+                   boundary_type=boundary_type)
+
+
 def rectangular_prism(width, height, axis='z', origin=(0., 0.),
                       boundary_type='transmission', corner_radius=0.):
     """Get an infinite rectangular prism from four planar surfaces.
@@ -153,13 +157,6 @@ def rectangular_prism(width, height, axis='z', origin=(0., 0.),
     check_value('axis', axis, ['x', 'y', 'z'])
     check_type('origin', origin, Iterable, Real)
 
-    # Define function to create a plane on given axis
-    def plane(axis, name, value):
-        cls = globals()['{}Plane'.format(axis.upper())]
-        return cls(name='{} {}'.format(name, axis),
-                   boundary_type=boundary_type,
-                   **{axis + '0': value})
-
     if axis == 'x':
         x1, x2 = 'y', 'z'
     elif axis == 'y':
@@ -168,13 +165,17 @@ def rectangular_prism(width, height, axis='z', origin=(0., 0.),
         x1, x2 = 'x', 'y'
 
     # Get cylinder class corresponding to given axis
-    cyl = globals()['{}Cylinder'.format(axis.upper())]
+    cyl = getattr(openmc, f'{axis.upper()}Cylinder')
 
     # Create rectangular region
-    min_x1 = plane(x1, 'minimum', -width/2 + origin[0])
-    max_x1 = plane(x1, 'maximum', width/2 + origin[0])
-    min_x2 = plane(x2, 'minimum', -height/2 + origin[1])
-    max_x2 = plane(x2, 'maximum', height/2 + origin[1])
+    min_x1 = _plane(x1, 'minimum', -width/2 + origin[0],
+                    boundary_type=boundary_type)
+    max_x1 = _plane(x1, 'maximum', width/2 + origin[0],
+                    boundary_type=boundary_type)
+    min_x2 = _plane(x2, 'minimum', -height/2 + origin[1],
+                    boundary_type=boundary_type)
+    max_x2 = _plane(x2, 'maximum', height/2 + origin[1],
+                    boundary_type=boundary_type)
     if boundary_type == 'periodic':
         min_x1.periodic_surface = max_x1
         min_x2.periodic_surface = max_x2
@@ -208,10 +209,14 @@ def rectangular_prism(width, height, axis='z', origin=(0., 0.),
         args[x2 + '0'] = origin[1] + height/2 - corner_radius
         x1_max_x2_max = cyl(name='{} max {} max'.format(x1, x2), **args)
 
-        x1_min = plane(x1, 'min', -width/2 + origin[0] + corner_radius)
-        x1_max = plane(x1, 'max', width/2 + origin[0] - corner_radius)
-        x2_min = plane(x2, 'min', -height/2 + origin[1] + corner_radius)
-        x2_max = plane(x2, 'max', height/2 + origin[1] - corner_radius)
+        x1_min = _plane(x1, 'min', -width/2 + origin[0] + corner_radius,
+                        boundary_type=boundary_type)
+        x1_max = _plane(x1, 'max', width/2 + origin[0] - corner_radius,
+                        boundary_type=boundary_type)
+        x2_min = _plane(x2, 'min', -height/2 + origin[1] + corner_radius,
+                        boundary_type=boundary_type)
+        x2_max = _plane(x2, 'max', height/2 + origin[1] - corner_radius,
+                        boundary_type=boundary_type)
 
         corners = (+x1_min_x2_min & -x1_min & -x2_min) | \
                   (+x1_min_x2_max & -x1_min & +x2_max) | \
@@ -265,8 +270,8 @@ def hexagonal_prism(edge_length=1., orientation='y', origin=(0., 0.),
     x, y = origin
 
     if orientation == 'y':
-        right = XPlane(x + sqrt(3.)/2*l, boundary_type=boundary_type)
-        left = XPlane(x - sqrt(3.)/2*l, boundary_type=boundary_type)
+        right = openmc.XPlane(x + sqrt(3.)/2*l, boundary_type=boundary_type)
+        left = openmc.XPlane(x - sqrt(3.)/2*l, boundary_type=boundary_type)
         c = sqrt(3.)/3.
 
         # y = -x/sqrt(3) + a
@@ -290,8 +295,8 @@ def hexagonal_prism(edge_length=1., orientation='y', origin=(0., 0.),
             lower_right.periodic_surface = upper_left
 
     elif orientation == 'x':
-        top = YPlane(y0=y + sqrt(3.)/2*l, boundary_type=boundary_type)
-        bottom = YPlane(y0=y - sqrt(3.)/2*l, boundary_type=boundary_type)
+        top = openmc.YPlane(y0=y + sqrt(3.)/2*l, boundary_type=boundary_type)
+        bottom = openmc.YPlane(y0=y - sqrt(3.)/2*l, boundary_type=boundary_type)
         c = sqrt(3.)
 
         # y = -sqrt(3)*(x - a)
@@ -325,8 +330,9 @@ def hexagonal_prism(edge_length=1., orientation='y', origin=(0., 0.),
         t = l - corner_radius/c
 
         # Cylinder with corner radius and boundary type pre-applied
-        cyl1 = partial(ZCylinder, r=corner_radius, boundary_type=boundary_type)
-        cyl2 = partial(ZCylinder, r=corner_radius/(2*c),
+        cyl1 = partial(openmc.ZCylinder, r=corner_radius,
+                       boundary_type=boundary_type)
+        cyl2 = partial(openmc.ZCylinder, r=corner_radius/(2*c),
                        boundary_type=boundary_type)
 
         if orientation == 'x':
@@ -462,11 +468,11 @@ def pin(surfaces, items, subdivisions=None, divide_vols=True,
     check_iterable_type("surfaces", surfaces[1:], surf_type)
 
     # Check for increasing radii and equal centers
-    if surf_type is ZCylinder:
+    if surf_type is openmc.ZCylinder:
         center_getter = attrgetter("x0", "y0")
-    elif surf_type is YCylinder:
+    elif surf_type is openmc.YCylinder:
         center_getter = attrgetter("x0", "z0")
-    elif surf_type is XCylinder:
+    elif surf_type is openmc.XCylinder:
         center_getter = attrgetter("z0", "y0")
     else:
         raise TypeError(
diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index 52350a261..c52ce44e1 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -8,8 +8,8 @@ import numpy as np
 from scipy.spatial import ConvexHull, Delaunay
 
 import openmc
-from openmc.checkvalue import (check_greater_than, check_value,
-                               check_iterable_type, check_length)
+from openmc.checkvalue import (check_greater_than, check_value, check_less_than,
+                               check_iterable_type, check_length, check_type)
 
 
 class CompositeSurface(ABC):
@@ -372,6 +372,10 @@ class RightCircularCylinder(CompositeSurface):
         Radius of the cylinder
     axis : {'x', 'y', 'z'}
         Axis of the cylinder
+    upper_fillet_radius : float
+        Upper edge fillet radius in [cm].
+    lower_fillet_radius : float
+        Lower edge fillet radius in [cm].
     **kwargs
         Keyword arguments passed to underlying cylinder and plane classes
 
@@ -383,33 +387,173 @@ class RightCircularCylinder(CompositeSurface):
         Bottom planar surface of the cylinder
     top : openmc.Plane
         Top planar surface of the cylinder
+    upper_fillet_torus : openmc.Torus
+        Surface that creates the filleted edge for the upper end of the
+        cylinder. Only present if :attr:`upper_fillet_radius` is set.
+    upper_fillet_cylinder : openmc.Cylinder
+        Surface that bounds :attr:`upper_fillet_torus` radially. Only present
+        if :attr:`upper_fillet_radius` is set.
+    upper_fillet_plane : openmc.Plane
+        Surface that bounds :attr:`upper_fillet_torus` axially. Only present if
+        :attr:`upper_fillet_radius` is set.
+    lower_fillet_torus : openmc.Torus
+        Surface that creates the filleted edge for the lower end of the
+        cylinder. Only present if :attr:`lower_fillet_radius` is set.
+    lower_fillet_cylinder : openmc.Cylinder
+        Surface that bounds :attr:`lower_fillet_torus` radially. Only present
+        if :attr:`lower_fillet_radius` is set.
+    lower_fillet_plane : openmc.Plane
+        Surface that bounds :attr:`lower_fillet_torus` axially. Only present if
+        :attr:`lower_fillet_radius` is set.
 
     """
     _surface_names = ('cyl', 'bottom', 'top')
 
-    def __init__(self, center_base, height, radius, axis='z', **kwargs):
+    def __init__(self, center_base, height, radius, axis='z',
+                 upper_fillet_radius=0., lower_fillet_radius=0., **kwargs):
         cx, cy, cz = center_base
         check_greater_than('cylinder height', height, 0.0)
         check_greater_than('cylinder radius', radius, 0.0)
         check_value('cylinder axis', axis, ('x', 'y', 'z'))
+        check_type('upper_fillet_radius', upper_fillet_radius, float)
+        check_less_than('upper_fillet_radius', upper_fillet_radius,
+                        radius, equality=True)
+        check_type('lower_fillet_radius', lower_fillet_radius, float)
+        check_less_than('lower_fillet_radius', lower_fillet_radius,
+                        radius, equality=True)
+
         if axis == 'x':
             self.cyl = openmc.XCylinder(y0=cy, z0=cz, r=radius, **kwargs)
             self.bottom = openmc.XPlane(x0=cx, **kwargs)
             self.top = openmc.XPlane(x0=cx + height, **kwargs)
+            x1, x2 = 'y', 'z'
+            axcoord, axcoord1, axcoord2 = 0, 1, 2
         elif axis == 'y':
             self.cyl = openmc.YCylinder(x0=cx, z0=cz, r=radius, **kwargs)
             self.bottom = openmc.YPlane(y0=cy, **kwargs)
             self.top = openmc.YPlane(y0=cy + height, **kwargs)
+            x1, x2 = 'x', 'z'
+            axcoord, axcoord1, axcoord2 = 1, 0, 2
         elif axis == 'z':
             self.cyl = openmc.ZCylinder(x0=cx, y0=cy, r=radius, **kwargs)
             self.bottom = openmc.ZPlane(z0=cz, **kwargs)
             self.top = openmc.ZPlane(z0=cz + height, **kwargs)
+            x1, x2 = 'x', 'y'
+            axcoord, axcoord1, axcoord2 = 2, 0, 1
+
+        def _create_fillet_objects(axis_args, height, center_base, radius, fillet_radius, pos='upper'):
+            axis, x1, x2, axcoord, axcoord1, axcoord2 = axis_args
+            fillet_ext = height / 2 - fillet_radius
+            sign = 1
+            if pos == 'lower':
+                sign = -1
+            coord = center_base[axcoord] + (height / 2) + sign * fillet_ext
+
+            # cylinder
+            cyl_name = f'{pos}_min'
+            cylinder_args = {
+                x1 + '0': center_base[axcoord1],
+                x2 + '0': center_base[axcoord2],
+                'r': radius - fillet_radius
+            }
+            cls = getattr(openmc, f'{axis.upper()}Cylinder')
+            cyl = cls(name=f'{cyl_name} {axis}', **cylinder_args)
+
+            #torus
+            tor_name = f'{axis} {pos}'
+            tor_args = {
+                'a': radius - fillet_radius,
+                'b': fillet_radius,
+                'c': fillet_radius,
+                x1 + '0': center_base[axcoord1],
+                x2 + '0': center_base[axcoord2],
+                axis + '0': coord
+            }
+            cls = getattr(openmc, f'{axis.upper()}Torus')
+            torus = cls(name=tor_name, **tor_args)
+
+            # plane
+            p_name = f'{pos} ext'
+            p_args = {axis + '0': coord}
+            cls = getattr(openmc, f'{axis.upper()}Plane')
+            plane = cls(name=p_name, **p_args)
+
+            return cyl, torus, plane
+
+        if upper_fillet_radius > 0. or lower_fillet_radius > 0.:
+            if 'boundary_type' in kwargs:
+                if kwargs['boundary_type'] == 'periodic':
+                    raise ValueError('Periodic boundary conditions not permitted when '
+                                     'rounded corners are used.')
+
+            axis_args = (axis, x1, x2, axcoord, axcoord1, axcoord2)
+            if upper_fillet_radius > 0.:
+                cylinder, torus, plane = _create_fillet_objects(
+                    axis_args, height, center_base, radius, upper_fillet_radius)
+                self.upper_fillet_cylinder = cylinder
+                self.upper_fillet_torus = torus
+                self.upper_fillet_plane = plane
+                self._surface_names += ('upper_fillet_cylinder',
+                                        'upper_fillet_torus',
+                                        'upper_fillet_plane')
+
+            if lower_fillet_radius > 0.:
+                cylinder, torus, plane = _create_fillet_objects(
+                    axis_args, height, center_base, radius, lower_fillet_radius,
+                    pos='lower'
+                )
+                self.lower_fillet_cylinder = cylinder
+                self.lower_fillet_torus = torus
+                self.lower_fillet_plane = plane
+
+                self._surface_names += ('lower_fillet_cylinder',
+                                        'lower_fillet_torus',
+                                        'lower_fillet_plane')
+
+    def _get_fillet(self):
+        upper_fillet = self._get_upper_fillet()
+        lower_fillet = self._get_lower_fillet()
+        has_upper_fillet = upper_fillet is not None
+        has_lower_fillet = lower_fillet is not None
+        if has_lower_fillet and has_upper_fillet:
+            fillet = lower_fillet | upper_fillet
+        elif has_upper_fillet and not has_lower_fillet:
+            fillet = upper_fillet
+        elif not has_upper_fillet and has_lower_fillet:
+            fillet = lower_fillet
+        else:
+            fillet = None
+        return fillet
+
+    def _get_upper_fillet(self):
+        has_upper_fillet = hasattr(self, 'upper_fillet_plane')
+        if has_upper_fillet:
+            upper_fillet = +self.upper_fillet_cylinder & +self.upper_fillet_torus & +self.upper_fillet_plane
+        else:
+            upper_fillet = None
+        return upper_fillet
+
+    def _get_lower_fillet(self):
+        has_lower_fillet = hasattr(self, 'lower_fillet_plane')
+        if has_lower_fillet:
+            lower_fillet = +self.lower_fillet_cylinder & +self.lower_fillet_torus & -self.lower_fillet_plane
+        else:
+            lower_fillet = None
+        return lower_fillet
 
     def __neg__(self):
-        return -self.cyl & +self.bottom & -self.top
+        prism = -self.cyl & +self.bottom & -self.top
+        fillet = self._get_fillet()
+        if fillet is not None:
+            prism = prism & ~fillet
+        return prism
 
     def __pos__(self):
-        return +self.cyl | -self.bottom | +self.top
+        prism = +self.cyl | -self.bottom | +self.top
+        fillet = self._get_fillet()
+        if fillet is not None:
+            prism = prism | fillet
+        return prism
 
 
 class RectangularParallelepiped(CompositeSurface):
diff --git a/tests/unit_tests/test_surface_composite.py b/tests/unit_tests/test_surface_composite.py
index d73038bdb..73519c383 100644
--- a/tests/unit_tests/test_surface_composite.py
+++ b/tests/unit_tests/test_surface_composite.py
@@ -65,42 +65,46 @@ def test_right_circular_cylinder(axis, indices):
     x, y, z = 1.0, -2.5, 3.0
     h, r = 5.0, 3.0
     s = openmc.model.RightCircularCylinder((x, y, z), h, r, axis=axis.lower())
-    assert isinstance(s.cyl, getattr(openmc, axis + "Cylinder"))
-    assert isinstance(s.top, getattr(openmc, axis + "Plane"))
-    assert isinstance(s.bottom, getattr(openmc, axis + "Plane"))
+    s_r = openmc.model.RightCircularCylinder((x, y, z), h, r, axis=axis.lower(),
+                                             upper_fillet_radius=1.6,
+                                             lower_fillet_radius=1.6)
+    for s in (s, s_r):
+        assert isinstance(s.cyl, getattr(openmc, axis + "Cylinder"))
+        assert isinstance(s.top, getattr(openmc, axis + "Plane"))
+        assert isinstance(s.bottom, getattr(openmc, axis + "Plane"))
 
-    # Make sure boundary condition propagates
-    s.boundary_type = 'reflective'
-    assert s.boundary_type == 'reflective'
-    assert s.cyl.boundary_type == 'reflective'
-    assert s.bottom.boundary_type == 'reflective'
-    assert s.top.boundary_type == 'reflective'
+        # Make sure boundary condition propagates
+        s.boundary_type = 'reflective'
+        assert s.boundary_type == 'reflective'
+        assert s.cyl.boundary_type == 'reflective'
+        assert s.bottom.boundary_type == 'reflective'
+        assert s.top.boundary_type == 'reflective'
 
-    # Check bounding box
-    ll, ur = (+s).bounding_box
-    assert np.all(np.isinf(ll))
-    assert np.all(np.isinf(ur))
-    ll, ur = (-s).bounding_box
-    assert ll == pytest.approx((x, y, z) + np.roll([0, -r, -r], indices[0]))
-    assert ur == pytest.approx((x, y, z) + np.roll([h, r, r], indices[0]))
+        # Check bounding box
+        ll, ur = (+s).bounding_box
+        assert np.all(np.isinf(ll))
+        assert np.all(np.isinf(ur))
+        ll, ur = (-s).bounding_box
+        assert ll == pytest.approx((x, y, z) + np.roll([0, -r, -r], indices[0]))
+        assert ur == pytest.approx((x, y, z) + np.roll([h, r, r], indices[0]))
 
-    # __contains__ on associated half-spaces
-    point_pos = (x, y, z) + np.roll([h/2, r+1, r+1], indices[0])
-    assert point_pos in +s
-    assert point_pos not in -s
-    point_neg = (x, y, z) + np.roll([h/2, 0, 0], indices[0])
-    assert point_neg in -s
-    assert point_neg not in +s
+        # __contains__ on associated half-spaces
+        point_pos = (x, y, z) + np.roll([h/2, r+1, r+1], indices[0])
+        assert point_pos in +s
+        assert point_pos not in -s
+        point_neg = (x, y, z) + np.roll([h/2, 0, 0], indices[0])
+        assert point_neg in -s
+        assert point_neg not in +s
 
-    # translate method
-    t = uniform(-5.0, 5.0)
-    s_t = s.translate((t, t, t))
-    ll_t, ur_t = (-s_t).bounding_box
-    assert ur_t == pytest.approx(ur + t)
-    assert ll_t == pytest.approx(ll + t)
+        # translate method
+        t = uniform(-5.0, 5.0)
+        s_t = s.translate((t, t, t))
+        ll_t, ur_t = (-s_t).bounding_box
+        assert ur_t == pytest.approx(ur + t)
+        assert ll_t == pytest.approx(ll + t)
 
-    # Make sure repr works
-    repr(s)
+        # Make sure repr works
+        repr(s)
 
 
 @pytest.mark.parametrize(

From 8101328d963f6387cf10979ea81ebe11e2dda736 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 20 Jul 2023 09:23:42 -0400
Subject: [PATCH 1895/2654] Build h5py against Cython < 3.0 in CI (#2613)

---
 tools/ci/gha-install.sh | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/tools/ci/gha-install.sh b/tools/ci/gha-install.sh
index fb81fcea2..2cef974d3 100755
--- a/tools/ci/gha-install.sh
+++ b/tools/ci/gha-install.sh
@@ -40,7 +40,7 @@ if [[ $MPI == 'y' ]]; then
     export CC=mpicc
     export HDF5_MPI=ON
     export HDF5_DIR=/usr/lib/x86_64-linux-gnu/hdf5/mpich
-    pip install wheel cython
+    pip install wheel "cython<3.0"
     pip install --no-binary=h5py --no-build-isolation h5py
 fi
 

From b5001ee12aafce1f63e4dc8975802922c13892cf Mon Sep 17 00:00:00 2001
From: John Tramm <john.tramm@gmail.com>
Date: Fri, 21 Jul 2023 02:53:32 -0500
Subject: [PATCH 1896/2654] Multigroup Per-Thread Cache Conversion (#2591)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 include/openmc/mgxs.h                         |  60 ++--
 include/openmc/particle_data.h                |  15 +
 src/mgxs.cpp                                  | 142 ++++------
 src/physics_mg.cpp                            |   6 +-
 src/tallies/tally_scoring.cpp                 | 262 ++++++++++--------
 .../mg_temperature_multi/__init__.py          |   0
 .../mg_temperature_multi/inputs_true.dat      |  53 ++++
 .../mg_temperature_multi/results_true.dat     |   8 +
 .../mg_temperature_multi/test.py              | 166 +++++++++++
 9 files changed, 487 insertions(+), 225 deletions(-)
 create mode 100644 tests/regression_tests/mg_temperature_multi/__init__.py
 create mode 100644 tests/regression_tests/mg_temperature_multi/inputs_true.dat
 create mode 100644 tests/regression_tests/mg_temperature_multi/results_true.dat
 create mode 100755 tests/regression_tests/mg_temperature_multi/test.py

diff --git a/include/openmc/mgxs.h b/include/openmc/mgxs.h
index 2da3c8363..d77c34bd5 100644
--- a/include/openmc/mgxs.h
+++ b/include/openmc/mgxs.h
@@ -16,20 +16,6 @@
 
 namespace openmc {
 
-//==============================================================================
-// Cache contains the cached data for an MGXS object
-//==============================================================================
-
-struct CacheData {
-  double sqrtkT; // last temperature corresponding to t
-  int t;         // temperature index
-  int a;         // angle index
-  // last angle that corresponds to a
-  double u;
-  double v;
-  double w;
-};
-
 //==============================================================================
 // MGXS contains the mgxs data for a nuclide/material
 //==============================================================================
@@ -96,10 +82,9 @@ private:
   bool equiv(const Mgxs& that);
 
 public:
-  std::string name;        // name of dataset, e.g., UO2
-  double awr;              // atomic weight ratio
-  bool fissionable;        // Is this fissionable
-  vector<CacheData> cache; // index and data cache
+  std::string name; // name of dataset, e.g., UO2
+  double awr;       // atomic weight ratio
+  bool fissionable; // Is this fissionable
 
   Mgxs() = default;
 
@@ -135,13 +120,15 @@ public:
   //! @param mu Cosine of the change-in-angle, for scattering quantities;
   //!   use nullptr if irrelevant.
   //! @param dg delayed group index; use nullptr if irrelevant.
+  //! @param t Temperature index.
+  //! @param a Angle index.
   //! @return Requested cross section value.
-  double get_xs(
-    MgxsType xstype, int gin, const int* gout, const double* mu, const int* dg);
+  double get_xs(MgxsType xstype, int gin, const int* gout, const double* mu,
+    const int* dg, int t, int a);
 
-  inline double get_xs(MgxsType xstype, int gin)
+  inline double get_xs(MgxsType xstype, int gin, int t, int a)
   {
-    return get_xs(xstype, gin, nullptr, nullptr, nullptr);
+    return get_xs(xstype, gin, nullptr, nullptr, nullptr, t, a);
   }
 
   //! \brief Samples the fission neutron energy and if prompt or delayed.
@@ -150,7 +137,10 @@ public:
   //! @param dg Sampled delayed group index.
   //! @param gout Sampled outgoing energy group.
   //! @param seed Pseudorandom seed pointer
-  void sample_fission_energy(int gin, int& dg, int& gout, uint64_t* seed);
+  //! @param t Temperature index.
+  //! @param a Angle index.
+  void sample_fission_energy(
+    int gin, int& dg, int& gout, uint64_t* seed, int t, int a);
 
   //! \brief Samples the outgoing energy and angle from a scatter event.
   //!
@@ -159,23 +149,37 @@ public:
   //! @param mu Sampled cosine of the change-in-angle.
   //! @param wgt Weight of the particle to be adjusted.
   //! @param seed Pseudorandom seed pointer.
+  //! @param t Temperature index.
+  //! @param a Angle index.
   void sample_scatter(
-    int gin, int& gout, double& mu, double& wgt, uint64_t* seed);
+    int gin, int& gout, double& mu, double& wgt, uint64_t* seed, int t, int a);
 
   //! \brief Calculates cross section quantities needed for tracking.
   //!
   //! @param p The particle whose attributes set which MGXS to get.
   void calculate_xs(Particle& p);
 
-  //! \brief Sets the temperature index in cache given a temperature
+  //! \brief Sets the temperature index in the particle's cache.
+  //!
+  //! @param p Particle.
+  void set_temperature_index(Particle& p);
+
+  //! \brief Gets the temperature index given a temperature.
   //!
   //! @param sqrtkT Temperature of the material.
-  void set_temperature_index(double sqrtkT);
+  //! @return The temperature index corresponding to sqrtkT.
+  int get_temperature_index(double sqrtkT) const;
 
-  //! \brief Sets the angle index in cache given a direction
+  //! \brief Sets the angle index in the particle's cache.
+  //!
+  //! @param p Particle.
+  void set_angle_index(Particle& p);
+
+  //! \brief Gets the angle index given a direction.
   //!
   //! @param u Incoming particle direction.
-  void set_angle_index(Direction u);
+  //! @return The angle index corresponding to u.
+  int get_angle_index(const Direction& u) const;
 
   //! \brief Provide const access to list of XsData held by this
   const vector<XsData>& get_xsdata() const { return xs; }
diff --git a/include/openmc/particle_data.h b/include/openmc/particle_data.h
index 6d86d528e..d0813f9c5 100644
--- a/include/openmc/particle_data.h
+++ b/include/openmc/particle_data.h
@@ -170,6 +170,18 @@ struct MacroXS {
   double pair_production; //!< macroscopic pair production xs
 };
 
+//==============================================================================
+// Cache contains the cached data for an MGXS object
+//==============================================================================
+
+struct CacheDataMG {
+  int material {-1}; //!< material index
+  double sqrtkT;     //!< last temperature corresponding to t
+  int t {0};         //!< temperature index
+  int a {0};         //!< angle index
+  Direction u;       //!< angle that corresponds to a
+};
+
 //==============================================================================
 // Information about nearest boundary crossing
 //==============================================================================
@@ -231,6 +243,7 @@ private:
   vector<NuclideMicroXS> neutron_xs_; //!< Microscopic neutron cross sections
   vector<ElementMicroXS> photon_xs_;  //!< Microscopic photon cross sections
   MacroXS macro_xs_;                  //!< Macroscopic cross sections
+  CacheDataMG mg_xs_cache_;           //!< Multigroup XS cache
 
   int64_t id_;                                //!< Unique ID
   ParticleType type_ {ParticleType::neutron}; //!< Particle type (n, p, e, etc.)
@@ -349,6 +362,8 @@ public:
   ElementMicroXS& photon_xs(int i) { return photon_xs_[i]; }
   MacroXS& macro_xs() { return macro_xs_; }
   const MacroXS& macro_xs() const { return macro_xs_; }
+  CacheDataMG& mg_xs_cache() { return mg_xs_cache_; }
+  const CacheDataMG& mg_xs_cache() const { return mg_xs_cache_; }
 
   int64_t& id() { return id_; }
   const int64_t& id() const { return id_; }
diff --git a/src/mgxs.cpp b/src/mgxs.cpp
index 472beda35..9eae5a7da 100644
--- a/src/mgxs.cpp
+++ b/src/mgxs.cpp
@@ -5,10 +5,6 @@
 #include <cstdlib>
 #include <sstream>
 
-#ifdef _OPENMP
-#include <omp.h>
-#endif
-
 #include "xtensor/xadapt.hpp"
 #include "xtensor/xmath.hpp"
 #include "xtensor/xsort.hpp"
@@ -46,15 +42,6 @@ void Mgxs::init(const std::string& in_name, double in_awr,
   n_azi = in_azimuthal.size();
   polar = in_polar;
   azimuthal = in_azimuthal;
-
-  // Set the cross section index cache
-#ifdef _OPENMP
-  int n_threads = omp_get_max_threads();
-#else
-  int n_threads = 1;
-#endif
-  cache.resize(n_threads);
-  // vector.resize() will value-initialize the members of cache[:]
 }
 
 //==============================================================================
@@ -425,18 +412,10 @@ void Mgxs::combine(const vector<Mgxs*>& micros, const vector<double>& scalars,
 
 //==============================================================================
 
-double Mgxs::get_xs(
-  MgxsType xstype, int gin, const int* gout, const double* mu, const int* dg)
+double Mgxs::get_xs(MgxsType xstype, int gin, const int* gout, const double* mu,
+  const int* dg, int t, int a)
 {
-  // This method assumes that the temperature and angle indices are set
-#ifdef _OPENMP
-  int tid = omp_get_thread_num();
-  XsData* xs_t = &xs[cache[tid].t];
-  int a = cache[tid].a;
-#else
-  XsData* xs_t = &xs[cache[0].t];
-  int a = cache[0].a;
-#endif
+  XsData* xs_t = &xs[t];
   double val;
   switch (xstype) {
   case MgxsType::TOTAL:
@@ -538,19 +517,14 @@ double Mgxs::get_xs(
 
 //==============================================================================
 
-void Mgxs::sample_fission_energy(int gin, int& dg, int& gout, uint64_t* seed)
+void Mgxs::sample_fission_energy(
+  int gin, int& dg, int& gout, uint64_t* seed, int t, int a)
 {
-  // This method assumes that the temperature and angle indices are set
-#ifdef _OPENMP
-  int tid = omp_get_thread_num();
-#else
-  int tid = 0;
-#endif
-  XsData* xs_t = &xs[cache[tid].t];
-  double nu_fission = xs_t->nu_fission(cache[tid].a, gin);
+  XsData* xs_t = &xs[t];
+  double nu_fission = xs_t->nu_fission(a, gin);
 
   // Find the probability of having a prompt neutron
-  double prob_prompt = xs_t->prompt_nu_fission(cache[tid].a, gin);
+  double prob_prompt = xs_t->prompt_nu_fission(a, gin);
 
   // sample random numbers
   double xi_pd = prn(seed) * nu_fission;
@@ -566,7 +540,7 @@ void Mgxs::sample_fission_energy(int gin, int& dg, int& gout, uint64_t* seed)
     // sample the outgoing energy group
     double prob_gout = 0.;
     for (gout = 0; gout < num_groups; ++gout) {
-      prob_gout += xs_t->chi_prompt(cache[tid].a, gin, gout);
+      prob_gout += xs_t->chi_prompt(a, gin, gout);
       if (xi_gout < prob_gout)
         break;
     }
@@ -576,7 +550,7 @@ void Mgxs::sample_fission_energy(int gin, int& dg, int& gout, uint64_t* seed)
 
     // get the delayed group
     for (dg = 0; dg < num_delayed_groups; ++dg) {
-      prob_prompt += xs_t->delayed_nu_fission(cache[tid].a, dg, gin);
+      prob_prompt += xs_t->delayed_nu_fission(a, dg, gin);
       if (xi_pd < prob_prompt)
         break;
     }
@@ -587,7 +561,7 @@ void Mgxs::sample_fission_energy(int gin, int& dg, int& gout, uint64_t* seed)
     // sample the outgoing energy group
     double prob_gout = 0.;
     for (gout = 0; gout < num_groups; ++gout) {
-      prob_gout += xs_t->chi_delayed(cache[tid].a, dg, gin, gout);
+      prob_gout += xs_t->chi_delayed(a, dg, gin, gout);
       if (xi_gout < prob_gout)
         break;
     }
@@ -597,35 +571,39 @@ void Mgxs::sample_fission_energy(int gin, int& dg, int& gout, uint64_t* seed)
 //==============================================================================
 
 void Mgxs::sample_scatter(
-  int gin, int& gout, double& mu, double& wgt, uint64_t* seed)
+  int gin, int& gout, double& mu, double& wgt, uint64_t* seed, int t, int a)
 {
-  // This method assumes that the temperature and angle indices are set
   // Sample the data
-#ifdef _OPENMP
-  int tid = omp_get_thread_num();
-#else
-  int tid = 0;
-#endif
-  xs[cache[tid].t].scatter[cache[tid].a]->sample(gin, gout, mu, wgt, seed);
+  xs[t].scatter[a]->sample(gin, gout, mu, wgt, seed);
 }
 
 //==============================================================================
 
 void Mgxs::calculate_xs(Particle& p)
 {
-  // Set our indices
-#ifdef _OPENMP
-  int tid = omp_get_thread_num();
-#else
-  int tid = 0;
-#endif
-  set_temperature_index(p.sqrtkT());
-  set_angle_index(p.u_local());
-  XsData* xs_t = &xs[cache[tid].t];
-  p.macro_xs().total = xs_t->total(cache[tid].a, p.g());
-  p.macro_xs().absorption = xs_t->absorption(cache[tid].a, p.g());
+  // If the material is different, then we need to do a full lookup
+  if (p.material() != p.mg_xs_cache().material) {
+    set_temperature_index(p);
+    set_angle_index(p);
+    p.mg_xs_cache().material = p.material();
+  } else {
+    // If material is the same, but temperature is different, need to
+    // find the new temperature index
+    if (p.sqrtkT() != p.mg_xs_cache().sqrtkT) {
+      set_temperature_index(p);
+    }
+    // If the material is the same, but angle is different, need to
+    // find the new angle index
+    if (p.u_local() != p.mg_xs_cache().u) {
+      set_angle_index(p);
+    }
+  }
+  int temperature = p.mg_xs_cache().t;
+  int angle = p.mg_xs_cache().a;
+  p.macro_xs().total = xs[temperature].total(angle, p.g());
+  p.macro_xs().absorption = xs[temperature].absorption(angle, p.g());
   p.macro_xs().nu_fission =
-    fissionable ? xs_t->nu_fission(cache[tid].a, p.g()) : 0.;
+    fissionable ? xs[temperature].nu_fission(angle, p.g()) : 0.;
 }
 
 //==============================================================================
@@ -643,32 +621,26 @@ bool Mgxs::equiv(const Mgxs& that)
 
 //==============================================================================
 
-void Mgxs::set_temperature_index(double sqrtkT)
+int Mgxs::get_temperature_index(double sqrtkT) const
 {
-  // See if we need to find the new index
-#ifdef _OPENMP
-  int tid = omp_get_thread_num();
-#else
-  int tid = 0;
-#endif
-  if (sqrtkT != cache[tid].sqrtkT) {
-    cache[tid].t = xt::argmin(xt::abs(kTs - sqrtkT * sqrtkT))[0];
-    cache[tid].sqrtkT = sqrtkT;
-  }
+  return xt::argmin(xt::abs(kTs - sqrtkT * sqrtkT))[0];
 }
 
 //==============================================================================
 
-void Mgxs::set_angle_index(Direction u)
+void Mgxs::set_temperature_index(Particle& p)
 {
-  // See if we need to find the new index
-#ifdef _OPENMP
-  int tid = omp_get_thread_num();
-#else
-  int tid = 0;
-#endif
-  if (!is_isotropic && ((u.x != cache[tid].u) || (u.y != cache[tid].v) ||
-                         (u.z != cache[tid].w))) {
+  p.mg_xs_cache().t = get_temperature_index(p.sqrtkT());
+  p.mg_xs_cache().sqrtkT = p.sqrtkT();
+}
+
+//==============================================================================
+
+int Mgxs::get_angle_index(const Direction& u) const
+{
+  if (is_isotropic) {
+    return 0;
+  } else {
     // convert direction to polar and azimuthal angles
     double my_pol = std::acos(u.z);
     double my_azi = std::atan2(u.y, u.x);
@@ -679,12 +651,18 @@ void Mgxs::set_angle_index(Direction u)
     delta_angle = 2. * PI / n_azi;
     int a = std::floor((my_azi + PI) / delta_angle);
 
-    cache[tid].a = n_azi * p + a;
+    return n_azi * p + a;
+  }
+}
 
-    // store this direction as the last one used
-    cache[tid].u = u.x;
-    cache[tid].v = u.y;
-    cache[tid].w = u.z;
+//==============================================================================
+
+void Mgxs::set_angle_index(Particle& p)
+{
+  // See if we need to find the new index
+  if (!is_isotropic) {
+    p.mg_xs_cache().a = get_angle_index(p.u_local());
+    p.mg_xs_cache().u = p.u_local();
   }
 }
 
diff --git a/src/physics_mg.cpp b/src/physics_mg.cpp
index ab1fdef02..43e3cfa74 100644
--- a/src/physics_mg.cpp
+++ b/src/physics_mg.cpp
@@ -72,8 +72,8 @@ void sample_reaction(Particle& p)
 
 void scatter(Particle& p)
 {
-  data::mg.macro_xs_[p.material()].sample_scatter(
-    p.g_last(), p.g(), p.mu(), p.wgt(), p.current_seed());
+  data::mg.macro_xs_[p.material()].sample_scatter(p.g_last(), p.g(), p.mu(),
+    p.wgt(), p.current_seed(), p.mg_xs_cache().t, p.mg_xs_cache().a);
 
   // Rotate the angle
   p.u() = rotate_angle(p.u(), p.mu(), nullptr, p.current_seed());
@@ -145,7 +145,7 @@ void create_fission_sites(Particle& p)
     int dg;
     int gout;
     data::mg.macro_xs_[p.material()].sample_fission_energy(
-      p.g(), dg, gout, p.current_seed());
+      p.g(), dg, gout, p.current_seed(), p.mg_xs_cache().t, p.mg_xs_cache().a);
 
     // Store the energy and delayed groups on the fission bank
     site.E = gout;
diff --git a/src/tallies/tally_scoring.cpp b/src/tallies/tally_scoring.cpp
index 47fe4d1be..e798161ec 100644
--- a/src/tallies/tally_scoring.cpp
+++ b/src/tallies/tally_scoring.cpp
@@ -907,7 +907,7 @@ void score_general_ce_nonanalog(Particle& p, int i_tally, int start_index,
 
       int m;
       switch (score_bin) {
-      // clang-format off
+        // clang-format off
       case N_GAMMA: m = 0; break;
       case N_P:     m = 1; break;
       case N_A:     m = 2; break;
@@ -1595,10 +1595,13 @@ void score_general_mg(Particle& p, int i_tally, int start_index,
   auto& macro_xs = data::mg.macro_xs_[p.material()];
 
   // Find the temperature and angle indices of interest
-  macro_xs.set_angle_index(p_u);
+  int macro_t = p.mg_xs_cache().t;
+  int macro_a = macro_xs.get_angle_index(p_u);
+  int nuc_t = 0;
+  int nuc_a = 0;
   if (i_nuclide >= 0) {
-    nuc_xs.set_temperature_index(p.sqrtkT());
-    nuc_xs.set_angle_index(p_u);
+    nuc_t = nuc_xs.get_temperature_index(p.sqrtkT());
+    nuc_a = nuc_xs.get_angle_index(p_u);
   }
 
   for (auto i = 0; i < tally.scores_.size(); ++i) {
@@ -1626,12 +1629,14 @@ void score_general_mg(Particle& p, int i_tally, int start_index,
         // use the weight of the particle entering the collision as the score
         score = flux * p.wgt_last();
         if (i_nuclide >= 0) {
-          score *= atom_density * nuc_xs.get_xs(MgxsType::TOTAL, p_g) /
-                   macro_xs.get_xs(MgxsType::TOTAL, p_g);
+          score *= atom_density *
+                   nuc_xs.get_xs(MgxsType::TOTAL, p_g, nuc_t, nuc_a) /
+                   macro_xs.get_xs(MgxsType::TOTAL, p_g, macro_t, macro_a);
         }
       } else {
         if (i_nuclide >= 0) {
-          score = atom_density * flux * nuc_xs.get_xs(MgxsType::TOTAL, p_g);
+          score = atom_density * flux *
+                  nuc_xs.get_xs(MgxsType::TOTAL, p_g, nuc_t, nuc_a);
         } else {
           score = p.macro_xs().total * flux;
         }
@@ -1646,17 +1651,21 @@ void score_general_mg(Particle& p, int i_tally, int start_index,
         // to count 'events' exactly for the inverse velocity
         score = flux * p.wgt_last();
         if (i_nuclide >= 0) {
-          score *= nuc_xs.get_xs(MgxsType::INVERSE_VELOCITY, p_g) /
-                   macro_xs.get_xs(MgxsType::TOTAL, p_g);
+          score *=
+            nuc_xs.get_xs(MgxsType::INVERSE_VELOCITY, p_g, nuc_t, nuc_a) /
+            macro_xs.get_xs(MgxsType::TOTAL, p_g, macro_t, macro_a);
         } else {
-          score *= macro_xs.get_xs(MgxsType::INVERSE_VELOCITY, p_g) /
-                   macro_xs.get_xs(MgxsType::TOTAL, p_g);
+          score *=
+            macro_xs.get_xs(MgxsType::INVERSE_VELOCITY, p_g, macro_t, macro_a) /
+            macro_xs.get_xs(MgxsType::TOTAL, p_g, macro_t, macro_a);
         }
       } else {
         if (i_nuclide >= 0) {
-          score = flux * nuc_xs.get_xs(MgxsType::INVERSE_VELOCITY, p_g);
+          score =
+            flux * nuc_xs.get_xs(MgxsType::INVERSE_VELOCITY, p_g, nuc_t, nuc_a);
         } else {
-          score = flux * macro_xs.get_xs(MgxsType::INVERSE_VELOCITY, p_g);
+          score = flux * macro_xs.get_xs(
+                           MgxsType::INVERSE_VELOCITY, p_g, macro_t, macro_a);
         }
       }
       break;
@@ -1672,18 +1681,18 @@ void score_general_mg(Particle& p, int i_tally, int start_index,
         if (i_nuclide >= 0) {
           score *= atom_density *
                    nuc_xs.get_xs(MgxsType::SCATTER_FMU, p.g_last(), &p.g(),
-                     &p.mu(), nullptr) /
+                     &p.mu(), nullptr, nuc_t, nuc_a) /
                    macro_xs.get_xs(MgxsType::SCATTER_FMU, p.g_last(), &p.g(),
-                     &p.mu(), nullptr);
+                     &p.mu(), nullptr, macro_t, macro_a);
         }
       } else {
         if (i_nuclide >= 0) {
-          score =
-            atom_density * flux *
-            nuc_xs.get_xs(MgxsType::SCATTER, p_g, nullptr, &p.mu(), nullptr);
+          score = atom_density * flux *
+                  nuc_xs.get_xs(MgxsType::SCATTER, p_g, nullptr, &p.mu(),
+                    nullptr, nuc_t, nuc_a);
         } else {
-          score = flux * macro_xs.get_xs(
-                           MgxsType::SCATTER, p_g, nullptr, &p.mu(), nullptr);
+          score = flux * macro_xs.get_xs(MgxsType::SCATTER, p_g, nullptr,
+                           &p.mu(), nullptr, macro_t, macro_a);
         }
       }
       break;
@@ -1703,16 +1712,17 @@ void score_general_mg(Particle& p, int i_tally, int start_index,
         if (i_nuclide >= 0) {
           score *= atom_density *
                    nuc_xs.get_xs(MgxsType::NU_SCATTER_FMU, p.g_last(), &p.g(),
-                     &p.mu(), nullptr) /
+                     &p.mu(), nullptr, nuc_t, nuc_a) /
                    macro_xs.get_xs(MgxsType::NU_SCATTER_FMU, p.g_last(), &p.g(),
-                     &p.mu(), nullptr);
+                     &p.mu(), nullptr, macro_t, macro_a);
         }
       } else {
         if (i_nuclide >= 0) {
-          score =
-            atom_density * flux * nuc_xs.get_xs(MgxsType::NU_SCATTER, p_g);
+          score = atom_density * flux *
+                  nuc_xs.get_xs(MgxsType::NU_SCATTER, p_g, nuc_t, nuc_a);
         } else {
-          score = flux * macro_xs.get_xs(MgxsType::NU_SCATTER, p_g);
+          score =
+            flux * macro_xs.get_xs(MgxsType::NU_SCATTER, p_g, macro_t, macro_a);
         }
       }
       break;
@@ -1732,13 +1742,14 @@ void score_general_mg(Particle& p, int i_tally, int start_index,
           score = p.wgt_last() * flux;
         }
         if (i_nuclide >= 0) {
-          score *= atom_density * nuc_xs.get_xs(MgxsType::ABSORPTION, p_g) /
-                   macro_xs.get_xs(MgxsType::ABSORPTION, p_g);
+          score *= atom_density *
+                   nuc_xs.get_xs(MgxsType::ABSORPTION, p_g, nuc_t, nuc_a) /
+                   macro_xs.get_xs(MgxsType::ABSORPTION, p_g, macro_t, macro_a);
         }
       } else {
         if (i_nuclide >= 0) {
-          score =
-            atom_density * flux * nuc_xs.get_xs(MgxsType::ABSORPTION, p_g);
+          score = atom_density * flux *
+                  nuc_xs.get_xs(MgxsType::ABSORPTION, p_g, nuc_t, nuc_a);
         } else {
           score = p.macro_xs().absorption * flux;
         }
@@ -1762,17 +1773,20 @@ void score_general_mg(Particle& p, int i_tally, int start_index,
           score = p.wgt_last() * flux;
         }
         if (i_nuclide >= 0) {
-          score *= atom_density * nuc_xs.get_xs(MgxsType::FISSION, p_g) /
-                   macro_xs.get_xs(MgxsType::ABSORPTION, p_g);
+          score *= atom_density *
+                   nuc_xs.get_xs(MgxsType::FISSION, p_g, nuc_t, nuc_a) /
+                   macro_xs.get_xs(MgxsType::ABSORPTION, p_g, macro_t, macro_a);
         } else {
-          score *= macro_xs.get_xs(MgxsType::FISSION, p_g) /
-                   macro_xs.get_xs(MgxsType::ABSORPTION, p_g);
+          score *= macro_xs.get_xs(MgxsType::FISSION, p_g, macro_t, macro_a) /
+                   macro_xs.get_xs(MgxsType::ABSORPTION, p_g, macro_t, macro_a);
         }
       } else {
         if (i_nuclide >= 0) {
-          score = atom_density * flux * nuc_xs.get_xs(MgxsType::FISSION, p_g);
+          score = atom_density * flux *
+                  nuc_xs.get_xs(MgxsType::FISSION, p_g, nuc_t, nuc_a);
         } else {
-          score = flux * macro_xs.get_xs(MgxsType::FISSION, p_g);
+          score =
+            flux * macro_xs.get_xs(MgxsType::FISSION, p_g, macro_t, macro_a);
         }
       }
       break;
@@ -1793,11 +1807,14 @@ void score_general_mg(Particle& p, int i_tally, int start_index,
           // nu-fission
           score = wgt_absorb * flux;
           if (i_nuclide >= 0) {
-            score *= atom_density * nuc_xs.get_xs(MgxsType::NU_FISSION, p_g) /
-                     macro_xs.get_xs(MgxsType::ABSORPTION, p_g);
+            score *=
+              atom_density *
+              nuc_xs.get_xs(MgxsType::NU_FISSION, p_g, nuc_t, nuc_a) /
+              macro_xs.get_xs(MgxsType::ABSORPTION, p_g, macro_t, macro_a);
           } else {
-            score *= macro_xs.get_xs(MgxsType::NU_FISSION, p_g) /
-                     macro_xs.get_xs(MgxsType::ABSORPTION, p_g);
+            score *=
+              macro_xs.get_xs(MgxsType::NU_FISSION, p_g, macro_t, macro_a) /
+              macro_xs.get_xs(MgxsType::ABSORPTION, p_g, macro_t, macro_a);
           }
         } else {
           // Skip any non-fission events
@@ -1810,16 +1827,18 @@ void score_general_mg(Particle& p, int i_tally, int start_index,
           // score.
           score = simulation::keff * p.wgt_bank() * flux;
           if (i_nuclide >= 0) {
-            score *= atom_density * nuc_xs.get_xs(MgxsType::FISSION, p_g) /
-                     macro_xs.get_xs(MgxsType::FISSION, p_g);
+            score *= atom_density *
+                     nuc_xs.get_xs(MgxsType::FISSION, p_g, nuc_t, nuc_a) /
+                     macro_xs.get_xs(MgxsType::FISSION, p_g, macro_t, macro_a);
           }
         }
       } else {
         if (i_nuclide >= 0) {
-          score =
-            atom_density * flux * nuc_xs.get_xs(MgxsType::NU_FISSION, p_g);
+          score = atom_density * flux *
+                  nuc_xs.get_xs(MgxsType::NU_FISSION, p_g, nuc_t, nuc_a);
         } else {
-          score = flux * macro_xs.get_xs(MgxsType::NU_FISSION, p_g);
+          score =
+            flux * macro_xs.get_xs(MgxsType::NU_FISSION, p_g, macro_t, macro_a);
         }
       }
       break;
@@ -1840,12 +1859,15 @@ void score_general_mg(Particle& p, int i_tally, int start_index,
           // prompt-nu-fission
           score = wgt_absorb * flux;
           if (i_nuclide >= 0) {
-            score *= atom_density *
-                     nuc_xs.get_xs(MgxsType::PROMPT_NU_FISSION, p_g) /
-                     macro_xs.get_xs(MgxsType::ABSORPTION, p_g);
+            score *=
+              atom_density *
+              nuc_xs.get_xs(MgxsType::PROMPT_NU_FISSION, p_g, nuc_t, nuc_a) /
+              macro_xs.get_xs(MgxsType::ABSORPTION, p_g, macro_t, macro_a);
           } else {
-            score *= macro_xs.get_xs(MgxsType::PROMPT_NU_FISSION, p_g) /
-                     macro_xs.get_xs(MgxsType::ABSORPTION, p_g);
+            score *=
+              macro_xs.get_xs(
+                MgxsType::PROMPT_NU_FISSION, p_g, macro_t, macro_a) /
+              macro_xs.get_xs(MgxsType::ABSORPTION, p_g, macro_t, macro_a);
           }
         } else {
           // Skip any non-fission events
@@ -1861,16 +1883,18 @@ void score_general_mg(Particle& p, int i_tally, int start_index,
           auto prompt_frac = 1. - n_delayed / static_cast<double>(p.n_bank());
           score = simulation::keff * p.wgt_bank() * prompt_frac * flux;
           if (i_nuclide >= 0) {
-            score *= atom_density * nuc_xs.get_xs(MgxsType::FISSION, p_g) /
-                     macro_xs.get_xs(MgxsType::FISSION, p_g);
+            score *= atom_density *
+                     nuc_xs.get_xs(MgxsType::FISSION, p_g, nuc_t, nuc_a) /
+                     macro_xs.get_xs(MgxsType::FISSION, p_g, macro_t, macro_a);
           }
         }
       } else {
         if (i_nuclide >= 0) {
           score = atom_density * flux *
-                  nuc_xs.get_xs(MgxsType::PROMPT_NU_FISSION, p_g);
+                  nuc_xs.get_xs(MgxsType::PROMPT_NU_FISSION, p_g, nuc_t, nuc_a);
         } else {
-          score = flux * macro_xs.get_xs(MgxsType::PROMPT_NU_FISSION, p_g);
+          score = flux * macro_xs.get_xs(
+                           MgxsType::PROMPT_NU_FISSION, p_g, macro_t, macro_a);
         }
       }
       break;
@@ -1889,7 +1913,8 @@ void score_general_mg(Particle& p, int i_tally, int start_index,
           // No fission events occur if survival biasing is on -- need to
           // calculate fraction of absorptions that would have resulted in
           // delayed-nu-fission
-          double abs_xs = macro_xs.get_xs(MgxsType::ABSORPTION, p_g);
+          double abs_xs =
+            macro_xs.get_xs(MgxsType::ABSORPTION, p_g, macro_t, macro_a);
           if (abs_xs > 0.) {
             if (tally.delayedgroup_filter_ != C_NONE) {
               auto i_dg_filt = tally.filters()[tally.delayedgroup_filter_];
@@ -1902,11 +1927,11 @@ void score_general_mg(Particle& p, int i_tally, int start_index,
                 score = wgt_absorb * flux;
                 if (i_nuclide >= 0) {
                   score *= nuc_xs.get_xs(MgxsType::DELAYED_NU_FISSION, p_g,
-                             nullptr, nullptr, &d) /
+                             nullptr, nullptr, &d, nuc_t, nuc_a) /
                            abs_xs;
                 } else {
                   score *= macro_xs.get_xs(MgxsType::DELAYED_NU_FISSION, p_g,
-                             nullptr, nullptr, &d) /
+                             nullptr, nullptr, &d, macro_t, macro_a) /
                            abs_xs;
                 }
                 score_fission_delayed_dg(
@@ -1919,11 +1944,13 @@ void score_general_mg(Particle& p, int i_tally, int start_index,
               // delayed-nu-fission xs to the absorption xs
               score = wgt_absorb * flux;
               if (i_nuclide >= 0) {
-                score *=
-                  nuc_xs.get_xs(MgxsType::DELAYED_NU_FISSION, p_g) / abs_xs;
+                score *= nuc_xs.get_xs(
+                           MgxsType::DELAYED_NU_FISSION, p_g, nuc_t, nuc_a) /
+                         abs_xs;
               } else {
-                score *=
-                  macro_xs.get_xs(MgxsType::DELAYED_NU_FISSION, p_g) / abs_xs;
+                score *= macro_xs.get_xs(MgxsType::DELAYED_NU_FISSION, p_g,
+                           macro_t, macro_a) /
+                         abs_xs;
               }
             }
           }
@@ -1948,8 +1975,10 @@ void score_general_mg(Particle& p, int i_tally, int start_index,
               score = simulation::keff * p.wgt_bank() / p.n_bank() *
                       p.n_delayed_bank(d - 1) * flux;
               if (i_nuclide >= 0) {
-                score *= atom_density * nuc_xs.get_xs(MgxsType::FISSION, p_g) /
-                         macro_xs.get_xs(MgxsType::FISSION, p_g);
+                score *=
+                  atom_density *
+                  nuc_xs.get_xs(MgxsType::FISSION, p_g, nuc_t, nuc_a) /
+                  macro_xs.get_xs(MgxsType::FISSION, p_g, macro_t, macro_a);
               }
               score_fission_delayed_dg(
                 i_tally, d_bin, score, score_index, p.filter_matches());
@@ -1962,8 +1991,10 @@ void score_general_mg(Particle& p, int i_tally, int start_index,
             score =
               simulation::keff * p.wgt_bank() / p.n_bank() * n_delayed * flux;
             if (i_nuclide >= 0) {
-              score *= atom_density * nuc_xs.get_xs(MgxsType::FISSION, p_g) /
-                       macro_xs.get_xs(MgxsType::FISSION, p_g);
+              score *=
+                atom_density *
+                nuc_xs.get_xs(MgxsType::FISSION, p_g, nuc_t, nuc_a) /
+                macro_xs.get_xs(MgxsType::FISSION, p_g, macro_t, macro_a);
             }
           }
         }
@@ -1978,10 +2009,10 @@ void score_general_mg(Particle& p, int i_tally, int start_index,
             if (i_nuclide >= 0) {
               score = flux * atom_density *
                       nuc_xs.get_xs(MgxsType::DELAYED_NU_FISSION, p_g, nullptr,
-                        nullptr, &d);
+                        nullptr, &d, nuc_t, nuc_a);
             } else {
               score = flux * macro_xs.get_xs(MgxsType::DELAYED_NU_FISSION, p_g,
-                               nullptr, nullptr, &d);
+                               nullptr, nullptr, &d, macro_t, macro_a);
             }
             score_fission_delayed_dg(
               i_tally, d_bin, score, score_index, p.filter_matches());
@@ -1989,10 +2020,12 @@ void score_general_mg(Particle& p, int i_tally, int start_index,
           continue;
         } else {
           if (i_nuclide >= 0) {
-            score = flux * atom_density *
-                    nuc_xs.get_xs(MgxsType::DELAYED_NU_FISSION, p_g);
+            score =
+              flux * atom_density *
+              nuc_xs.get_xs(MgxsType::DELAYED_NU_FISSION, p_g, nuc_t, nuc_a);
           } else {
-            score = flux * macro_xs.get_xs(MgxsType::DELAYED_NU_FISSION, p_g);
+            score = flux * macro_xs.get_xs(MgxsType::DELAYED_NU_FISSION, p_g,
+                             macro_t, macro_a);
           }
         }
       }
@@ -2004,7 +2037,8 @@ void score_general_mg(Particle& p, int i_tally, int start_index,
           // No fission events occur if survival biasing is on -- need to
           // calculate fraction of absorptions that would have resulted in
           // delayed-nu-fission
-          double abs_xs = macro_xs.get_xs(MgxsType::ABSORPTION, p_g);
+          double abs_xs =
+            macro_xs.get_xs(MgxsType::ABSORPTION, p_g, macro_t, macro_a);
           if (abs_xs > 0) {
             if (tally.delayedgroup_filter_ != C_NONE) {
               auto i_dg_filt = tally.filters()[tally.delayedgroup_filter_];
@@ -2016,16 +2050,16 @@ void score_general_mg(Particle& p, int i_tally, int start_index,
                 auto d = filt.groups()[d_bin] - 1;
                 score = wgt_absorb * flux;
                 if (i_nuclide >= 0) {
-                  score *= nuc_xs.get_xs(
-                             MgxsType::DECAY_RATE, p_g, nullptr, nullptr, &d) *
+                  score *= nuc_xs.get_xs(MgxsType::DECAY_RATE, p_g, nullptr,
+                             nullptr, &d, nuc_t, nuc_a) *
                            nuc_xs.get_xs(MgxsType::DELAYED_NU_FISSION, p_g,
-                             nullptr, nullptr, &d) /
+                             nullptr, nullptr, &d, nuc_t, nuc_a) /
                            abs_xs;
                 } else {
-                  score *= macro_xs.get_xs(
-                             MgxsType::DECAY_RATE, p_g, nullptr, nullptr, &d) *
+                  score *= macro_xs.get_xs(MgxsType::DECAY_RATE, p_g, nullptr,
+                             nullptr, &d, macro_t, macro_a) *
                            macro_xs.get_xs(MgxsType::DELAYED_NU_FISSION, p_g,
-                             nullptr, nullptr, &d) /
+                             nullptr, nullptr, &d, macro_t, macro_a) /
                            abs_xs;
                 }
                 score_fission_delayed_dg(
@@ -2041,17 +2075,17 @@ void score_general_mg(Particle& p, int i_tally, int start_index,
               for (auto d = 0; d < data::mg.num_delayed_groups_; ++d) {
                 if (i_nuclide >= 0) {
                   score += wgt_absorb * flux *
-                           nuc_xs.get_xs(
-                             MgxsType::DECAY_RATE, p_g, nullptr, nullptr, &d) *
+                           nuc_xs.get_xs(MgxsType::DECAY_RATE, p_g, nullptr,
+                             nullptr, &d, nuc_t, nuc_a) *
                            nuc_xs.get_xs(MgxsType::DELAYED_NU_FISSION, p_g,
-                             nullptr, nullptr, &d) /
+                             nullptr, nullptr, &d, nuc_t, nuc_a) /
                            abs_xs;
                 } else {
                   score += wgt_absorb * flux *
-                           macro_xs.get_xs(
-                             MgxsType::DECAY_RATE, p_g, nullptr, nullptr, &d) *
+                           macro_xs.get_xs(MgxsType::DECAY_RATE, p_g, nullptr,
+                             nullptr, &d, macro_t, macro_a) *
                            macro_xs.get_xs(MgxsType::DELAYED_NU_FISSION, p_g,
-                             nullptr, nullptr, &d) /
+                             nullptr, nullptr, &d, macro_t, macro_a) /
                            abs_xs;
                 }
               }
@@ -2074,15 +2108,16 @@ void score_general_mg(Particle& p, int i_tally, int start_index,
             auto d = bank.delayed_group - 1;
             if (d != -1) {
               if (i_nuclide >= 0) {
-                score += simulation::keff * atom_density * bank.wgt * flux *
-                         nuc_xs.get_xs(
-                           MgxsType::DECAY_RATE, p_g, nullptr, nullptr, &d) *
-                         nuc_xs.get_xs(MgxsType::FISSION, p_g) /
-                         macro_xs.get_xs(MgxsType::FISSION, p_g);
+                score +=
+                  simulation::keff * atom_density * bank.wgt * flux *
+                  nuc_xs.get_xs(MgxsType::DECAY_RATE, p_g, nullptr, nullptr, &d,
+                    nuc_t, nuc_a) *
+                  nuc_xs.get_xs(MgxsType::FISSION, p_g, nuc_t, nuc_a) /
+                  macro_xs.get_xs(MgxsType::FISSION, p_g, macro_t, macro_a);
               } else {
                 score += simulation::keff * bank.wgt * flux *
-                         macro_xs.get_xs(
-                           MgxsType::DECAY_RATE, p_g, nullptr, nullptr, &d);
+                         macro_xs.get_xs(MgxsType::DECAY_RATE, p_g, nullptr,
+                           nullptr, &d, macro_t, macro_a);
               }
               if (tally.delayedgroup_filter_ != C_NONE) {
                 auto i_dg_filt = tally.filters()[tally.delayedgroup_filter_];
@@ -2112,17 +2147,17 @@ void score_general_mg(Particle& p, int i_tally, int start_index,
           for (auto d_bin = 0; d_bin < filt.n_bins(); ++d_bin) {
             auto d = filt.groups()[d_bin] - 1;
             if (i_nuclide >= 0) {
-              score =
-                atom_density * flux *
-                nuc_xs.get_xs(MgxsType::DECAY_RATE, p_g, nullptr, nullptr, &d) *
-                nuc_xs.get_xs(
-                  MgxsType::DELAYED_NU_FISSION, p_g, nullptr, nullptr, &d);
+              score = atom_density * flux *
+                      nuc_xs.get_xs(MgxsType::DECAY_RATE, p_g, nullptr, nullptr,
+                        &d, nuc_t, nuc_a) *
+                      nuc_xs.get_xs(MgxsType::DELAYED_NU_FISSION, p_g, nullptr,
+                        nullptr, &d, nuc_t, nuc_a);
             } else {
               score = flux *
-                      macro_xs.get_xs(
-                        MgxsType::DECAY_RATE, p_g, nullptr, nullptr, &d) *
+                      macro_xs.get_xs(MgxsType::DECAY_RATE, p_g, nullptr,
+                        nullptr, &d, macro_t, macro_a) *
                       macro_xs.get_xs(MgxsType::DELAYED_NU_FISSION, p_g,
-                        nullptr, nullptr, &d);
+                        nullptr, nullptr, &d, macro_t, macro_a);
             }
             score_fission_delayed_dg(
               i_tally, d_bin, score, score_index, p.filter_matches());
@@ -2132,17 +2167,17 @@ void score_general_mg(Particle& p, int i_tally, int start_index,
           score = 0.;
           for (auto d = 0; d < data::mg.num_delayed_groups_; ++d) {
             if (i_nuclide >= 0) {
-              score +=
-                atom_density * flux *
-                nuc_xs.get_xs(MgxsType::DECAY_RATE, p_g, nullptr, nullptr, &d) *
-                nuc_xs.get_xs(
-                  MgxsType::DELAYED_NU_FISSION, p_g, nullptr, nullptr, &d);
+              score += atom_density * flux *
+                       nuc_xs.get_xs(MgxsType::DECAY_RATE, p_g, nullptr,
+                         nullptr, &d, nuc_t, nuc_a) *
+                       nuc_xs.get_xs(MgxsType::DELAYED_NU_FISSION, p_g, nullptr,
+                         nullptr, &d, nuc_t, nuc_a);
             } else {
               score += flux *
-                       macro_xs.get_xs(
-                         MgxsType::DECAY_RATE, p_g, nullptr, nullptr, &d) *
+                       macro_xs.get_xs(MgxsType::DECAY_RATE, p_g, nullptr,
+                         nullptr, &d, macro_t, macro_a) *
                        macro_xs.get_xs(MgxsType::DELAYED_NU_FISSION, p_g,
-                         nullptr, nullptr, &d);
+                         nullptr, nullptr, &d, macro_t, macro_a);
             }
           }
         }
@@ -2166,18 +2201,21 @@ void score_general_mg(Particle& p, int i_tally, int start_index,
           score = p.wgt_last() * flux;
         }
         if (i_nuclide >= 0) {
-          score *= atom_density * nuc_xs.get_xs(MgxsType::KAPPA_FISSION, p_g) /
-                   macro_xs.get_xs(MgxsType::ABSORPTION, p_g);
+          score *= atom_density *
+                   nuc_xs.get_xs(MgxsType::KAPPA_FISSION, p_g, nuc_t, nuc_a) /
+                   macro_xs.get_xs(MgxsType::ABSORPTION, p_g, macro_t, macro_a);
         } else {
-          score *= macro_xs.get_xs(MgxsType::KAPPA_FISSION, p_g) /
-                   macro_xs.get_xs(MgxsType::ABSORPTION, p_g);
+          score *=
+            macro_xs.get_xs(MgxsType::KAPPA_FISSION, p_g, macro_t, macro_a) /
+            macro_xs.get_xs(MgxsType::ABSORPTION, p_g, macro_t, macro_a);
         }
       } else {
         if (i_nuclide >= 0) {
-          score =
-            atom_density * flux * nuc_xs.get_xs(MgxsType::KAPPA_FISSION, p_g);
+          score = atom_density * flux *
+                  nuc_xs.get_xs(MgxsType::KAPPA_FISSION, p_g, nuc_t, nuc_a);
         } else {
-          score = flux * macro_xs.get_xs(MgxsType::KAPPA_FISSION, p_g);
+          score = flux * macro_xs.get_xs(
+                           MgxsType::KAPPA_FISSION, p_g, macro_t, macro_a);
         }
       }
       break;
diff --git a/tests/regression_tests/mg_temperature_multi/__init__.py b/tests/regression_tests/mg_temperature_multi/__init__.py
new file mode 100644
index 000000000..e69de29bb
diff --git a/tests/regression_tests/mg_temperature_multi/inputs_true.dat b/tests/regression_tests/mg_temperature_multi/inputs_true.dat
new file mode 100644
index 000000000..b2ad5063c
--- /dev/null
+++ b/tests/regression_tests/mg_temperature_multi/inputs_true.dat
@@ -0,0 +1,53 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <cross_sections>mgxs.h5</cross_sections>
+    <material id="1" name="UO2 fuel">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="UO2"/>
+    </material>
+    <material id="2" name="Water">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="LWTR"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" name="fuel inner" region="-1" temperature="600.0" universe="1"/>
+    <cell id="2" material="1" name="fuel outer" region="1 -2" temperature="294.0" universe="1"/>
+    <cell id="3" material="2" name="moderator" region="2 3 -4 5 -6" universe="1"/>
+    <surface coeffs="0.0 0.0 0.25" id="1" name="Fuel IR" type="z-cylinder"/>
+    <surface coeffs="0.0 0.0 0.54" id="2" name="Fuel OR" type="z-cylinder"/>
+    <surface boundary="reflective" coeffs="-0.63" id="3" name="minimum x" type="x-plane"/>
+    <surface boundary="reflective" coeffs="0.63" id="4" name="maximum x" type="x-plane"/>
+    <surface boundary="reflective" coeffs="-0.63" id="5" name="minimum y" type="y-plane"/>
+    <surface boundary="reflective" coeffs="0.63" id="6" name="maximum y" type="y-plane"/>
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>1000</particles>
+    <batches>10</batches>
+    <inactive>5</inactive>
+    <source particle="neutron" strength="1.0" type="independent">
+      <space type="fission">
+        <parameters>-0.63 -0.63 -1 0.63 0.63 1</parameters>
+      </space>
+    </source>
+    <energy_mode>multi-group</energy_mode>
+  </settings>
+  <tallies>
+    <filter id="1" type="cell">
+      <bins>1</bins>
+    </filter>
+    <filter id="2" type="cell">
+      <bins>2</bins>
+    </filter>
+    <tally id="1" name="inner tally">
+      <filters>1</filters>
+      <scores>flux</scores>
+    </tally>
+    <tally id="2" name="outer tally">
+      <filters>2</filters>
+      <scores>flux</scores>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/mg_temperature_multi/results_true.dat b/tests/regression_tests/mg_temperature_multi/results_true.dat
new file mode 100644
index 000000000..80c2f5622
--- /dev/null
+++ b/tests/regression_tests/mg_temperature_multi/results_true.dat
@@ -0,0 +1,8 @@
+k-combined:
+1.337115E+00 7.221249E-03
+tally 1:
+2.549066E+01
+1.299987E+02
+tally 2:
+9.276778E+01
+1.721791E+03
diff --git a/tests/regression_tests/mg_temperature_multi/test.py b/tests/regression_tests/mg_temperature_multi/test.py
new file mode 100755
index 000000000..2090f1b0c
--- /dev/null
+++ b/tests/regression_tests/mg_temperature_multi/test.py
@@ -0,0 +1,166 @@
+import os
+
+import numpy as np
+import openmc
+import openmc.mgxs
+
+from tests.testing_harness import PyAPITestHarness
+
+
+def create_library():
+    # Instantiate the energy group data
+    egroups = [1e-5, 0.0635, 10.0, 1.0e2, 1.0e3, 0.5e6, 1.0e6, 20.0e6]
+    groups = openmc.mgxs.EnergyGroups(egroups)
+
+    # Instantiate the 7-group (C5G7) cross section data
+    uo2_xsdata = openmc.XSdata('UO2', groups, temperatures=[294.0, 600.0])
+    uo2_xsdata.order = 0
+    scatter_matrix = np.array([[
+        [0.1275370, 0.0423780, 0.0000094, 0.0000000, 0.0000000, 0.0000000, 0.0000000],
+        [0.0000000, 0.3244560, 0.0016314, 0.0000000, 0.0000000, 0.0000000, 0.0000000],
+        [0.0000000, 0.0000000, 0.4509400, 0.0026792, 0.0000000, 0.0000000, 0.0000000],
+        [0.0000000, 0.0000000, 0.0000000, 0.4525650, 0.0055664, 0.0000000, 0.0000000],
+        [0.0000000, 0.0000000, 0.0000000, 0.0001253, 0.2714010, 0.0102550, 0.0000000],
+        [0.0000000, 0.0000000, 0.0000000, 0.0000000, 0.0012968, 0.2658020, 0.0168090],
+        [0.0000000, 0.0000000, 0.0000000, 0.0000000, 0.0000000, 0.0085458, 0.2730800]
+    ]])
+    scatter_matrix = np.rollaxis(scatter_matrix, 0, 3)
+
+    # Original C5G7 data
+    uo2_xsdata.set_total([0.1779492, 0.3298048, 0.4803882, 0.5543674, 0.3118013, 0.3951678, 0.5644058], temperature=294.0)
+    uo2_xsdata.set_absorption([8.0248E-03, 3.7174E-03, 2.6769E-02, 9.6236E-02, 3.0020E-02, 1.1126E-01, 2.8278E-01], temperature=294.0)
+    uo2_xsdata.set_scatter_matrix(scatter_matrix, temperature=294.0)
+    uo2_xsdata.set_fission([7.21206E-03, 8.19301E-04, 6.45320E-03, 1.85648E-02, 1.78084E-02, 8.30348E-02, 2.16004E-01], temperature=294.0)
+    uo2_xsdata.set_nu_fission([2.005998E-02, 2.027303E-03, 1.570599E-02, 4.518301E-02, 4.334208E-02, 2.020901E-01, 5.257105E-01], temperature=294.0)
+    uo2_xsdata.set_chi([5.8791E-01, 4.1176E-01, 3.3906E-04, 1.1761E-07, 0.0000E+00, 0.0000E+00, 0.0000E+00], temperature=294.0)
+
+    # Altered C5G7 data (permuted Chi)
+    uo2_xsdata.set_total([0.1779492, 0.3298048, 0.4803882, 0.5543674, 0.3118013, 0.3951678, 0.5644058], temperature=600.0)
+    uo2_xsdata.set_absorption([8.0248E-03, 3.7174E-03, 2.6769E-02, 9.6236E-02, 3.0020E-02, 1.1126E-01, 2.8278E-01], temperature=600.0)
+    uo2_xsdata.set_scatter_matrix(scatter_matrix, temperature=600.0)
+    uo2_xsdata.set_fission([7.21206E-03, 8.19301E-04, 6.45320E-03, 1.85648E-02, 1.78084E-02, 8.30348E-02, 2.16004E-01], temperature=600.0)
+    uo2_xsdata.set_nu_fission([2.005998E-02, 2.027303E-03, 1.570599E-02, 4.518301E-02, 4.334208E-02, 2.020901E-01, 5.257105E-01], temperature=600.0)
+    uo2_xsdata.set_chi([4.1176E-01, 5.8791E-01, 3.3906E-04, 1.1761E-07, 0.0000E+00, 0.0000E+00, 0.0000E+00], temperature=600.0)
+
+    h2o_xsdata = openmc.XSdata('LWTR', groups)
+    h2o_xsdata.order = 0
+    h2o_xsdata.set_total([0.15920605, 0.412969593, 0.59030986, 0.58435,
+                          0.718, 1.2544497, 2.650379])
+    h2o_xsdata.set_absorption([6.0105E-04, 1.5793E-05, 3.3716E-04,
+                               1.9406E-03, 5.7416E-03, 1.5001E-02,
+                               3.7239E-02])
+    scatter_matrix = np.array([[
+        [0.0444777, 0.1134000, 0.0007235, 0.0000037, 0.0000001, 0.0000000, 0.0000000],
+        [0.0000000, 0.2823340, 0.1299400, 0.0006234, 0.0000480, 0.0000074, 0.0000010],
+        [0.0000000, 0.0000000, 0.3452560, 0.2245700, 0.0169990, 0.0026443, 0.0005034],
+        [0.0000000, 0.0000000, 0.0000000, 0.0910284, 0.4155100, 0.0637320, 0.0121390],
+        [0.0000000, 0.0000000, 0.0000000, 0.0000714, 0.1391380, 0.5118200, 0.0612290],
+        [0.0000000, 0.0000000, 0.0000000, 0.0000000, 0.0022157, 0.6999130, 0.5373200],
+        [0.0000000, 0.0000000, 0.0000000, 0.0000000, 0.0000000, 0.1324400, 2.4807000]
+    ]])
+    scatter_matrix = np.rollaxis(scatter_matrix, 0, 3)
+    h2o_xsdata.set_scatter_matrix(scatter_matrix)
+
+    mg_cross_sections_file = openmc.MGXSLibrary(groups)
+    mg_cross_sections_file.add_xsdatas([uo2_xsdata, h2o_xsdata])
+    mg_cross_sections_file.export_to_hdf5()
+
+
+class MGXSTestHarness(PyAPITestHarness):
+    def _cleanup(self):
+        super()._cleanup()
+        f = 'mgxs.h5'
+        if os.path.exists(f):
+            os.remove(f)
+
+
+def test_mg_temperature_multi():
+    ###############################################################################
+    # Create multigroup data
+    create_library()
+
+    ###############################################################################
+    # Create materials for the problem
+
+    # Instantiate some Macroscopic Data
+    uo2_data = openmc.Macroscopic('UO2')
+    h2o_data = openmc.Macroscopic('LWTR')
+
+    # Instantiate some Materials and register the appropriate Macroscopic objects
+    uo2 = openmc.Material(name='UO2 fuel')
+    uo2.set_density('macro', 1.0)
+    uo2.add_macroscopic(uo2_data)
+
+    water = openmc.Material(name='Water')
+    water.set_density('macro', 1.0)
+    water.add_macroscopic(h2o_data)
+
+    # Instantiate a Materials collection and export to XML
+    materials = openmc.Materials([uo2, water])
+    materials.cross_sections = "mgxs.h5"
+
+    ###############################################################################
+    # Define problem geometry
+
+    # Create a surface for the fuel outer radius
+    fuel_ir = openmc.ZCylinder(r=0.25, name='Fuel IR')
+    fuel_or = openmc.ZCylinder(r=0.54, name='Fuel OR')
+
+    # Create a region represented as the inside of a rectangular prism
+    pitch = 1.26
+    box = openmc.rectangular_prism(pitch, pitch, boundary_type='reflective')
+
+    # Instantiate Cells
+    fuel_inner = openmc.Cell(fill=uo2, region=-fuel_ir, name='fuel inner')
+    fuel_inner.temperature = 600.0
+    fuel_outer = openmc.Cell(fill=uo2, region=+fuel_ir & -fuel_or, name='fuel outer')
+    fuel_outer.temperature = 294.0
+    moderator = openmc.Cell(fill=water, region=+fuel_or & box, name='moderator')
+
+    # Create a geometry with the two cells and export to XML
+    geometry = openmc.Geometry([fuel_inner, fuel_outer, moderator])
+
+    ###############################################################################
+    # Define problem settings
+
+    # Instantiate a Settings object, set all runtime parameters, and export to XML
+    settings = openmc.Settings()
+    settings.energy_mode = "multi-group"
+    settings.batches = 10
+    settings.inactive = 5
+    settings.particles = 1000
+
+    # Create an initial uniform spatial source distribution over fissionable zones
+    lower_left = (-pitch/2, -pitch/2, -1)
+    upper_right = (pitch/2, pitch/2, 1)
+    uniform_dist = openmc.stats.Box(lower_left, upper_right, only_fissionable=True)
+    settings.source = openmc.IndependentSource(space=uniform_dist)
+
+    ###############################################################################
+    # Define tallies
+
+    # Instantiate the energy group data
+    egroups = [1e-5, 0.0635, 10.0, 1.0e2, 1.0e3, 0.5e6, 1.0e6, 20.0e6]
+
+    inner_filter = openmc.CellFilter(fuel_inner)
+    outer_filter = openmc.CellFilter(fuel_outer)
+    energy_filter = openmc.EnergyFilter(egroups)
+
+    inner_tally = openmc.Tally(name="inner tally")
+    inner_tally.filters = [energy_filter]
+    inner_tally.filters = [inner_filter]
+    inner_tally.scores = ['flux']
+
+    outer_tally = openmc.Tally(name="outer tally")
+    outer_tally.filters = [energy_filter]
+    outer_tally.filters = [outer_filter]
+    outer_tally.scores = ['flux']
+
+    # Instantiate a Tallies collection and export to XML
+    tallies = openmc.Tallies([inner_tally, outer_tally])
+
+    # Generate model and run test
+    model = openmc.Model(geometry, materials, settings, tallies)
+
+    harness = MGXSTestHarness('statepoint.10.h5', model=model)
+    harness.main()

From 50c3103ca386dba81bacfb75a360e9f6667f413e Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Fri, 21 Jul 2023 18:08:02 +0100
Subject: [PATCH 1897/2654] Adding type hints to meshes (#2601)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/mesh.py | 118 +++++++++++++++++++++++++++----------------------
 1 file changed, 66 insertions(+), 52 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index f9eaff6d5..917aaa8a8 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -1,17 +1,19 @@
 from abc import ABC, abstractmethod
 from collections.abc import Iterable
-from collections import OrderedDict
 from math import pi
 from numbers import Real, Integral
 from pathlib import Path
+import typing
 import warnings
 import lxml.etree as ET
 
+import h5py
 import numpy as np
 
 import openmc.checkvalue as cv
 import openmc
 from ._xml import get_text
+from openmc.checkvalue import PathLike
 from .mixin import IDManagerMixin
 from .surface import _BOUNDARY_TYPES
 
@@ -38,7 +40,7 @@ class MeshBase(IDManagerMixin, ABC):
     next_id = 1
     used_ids = set()
 
-    def __init__(self, mesh_id=None, name=''):
+    def __init__(self, mesh_id: typing.Optional[int] = None, name: str = ''):
         # Initialize Mesh class attributes
         self.id = mesh_id
         self.name = name
@@ -48,7 +50,7 @@ class MeshBase(IDManagerMixin, ABC):
         return self._name
 
     @name.setter
-    def name(self, name):
+    def name(self, name: str):
         if name is not None:
             cv.check_type(f'name for mesh ID="{self._id}"', name, str)
             self._name = name
@@ -68,7 +70,7 @@ class MeshBase(IDManagerMixin, ABC):
                                'Volumes cannot be provided.')
 
     @classmethod
-    def from_hdf5(cls, group):
+    def from_hdf5(cls, group: h5py.Group):
         """Create mesh from HDF5 group
 
         Parameters
@@ -98,7 +100,7 @@ class MeshBase(IDManagerMixin, ABC):
             raise ValueError('Unrecognized mesh type: "' + mesh_type + '"')
 
     @classmethod
-    def from_xml_element(cls, elem):
+    def from_xml_element(cls, elem: ET.Element):
         """Generates a mesh from an XML element
 
         Parameters
@@ -261,10 +263,10 @@ class StructuredMesh(MeshBase):
         return np.prod(self.dimension)
 
     def write_data_to_vtk(self,
-                          filename,
-                          datasets=None,
-                          volume_normalization=True,
-                          curvilinear=False):
+                          filename: PathLike,
+                          datasets: typing.Optional[dict] = None,
+                          volume_normalization: bool = True,
+                          curvilinear: bool = False):
         """Creates a VTK object of the mesh
 
         Parameters
@@ -393,7 +395,7 @@ class StructuredMesh(MeshBase):
             else:
                 return result
 
-        ### Add all points to the unstructured grid, maintaining a flat list of IDs as we go ###
+        # Add all points to the unstructured grid, maintaining a flat list of IDs as we go ###
 
         # flat array storind point IDs for a given vertex
         # in the grid
@@ -452,7 +454,7 @@ class StructuredMesh(MeshBase):
 
         return vtk_grid
 
-    def _check_vtk_datasets(self, datasets):
+    def _check_vtk_datasets(self, datasets: dict):
         """Perform some basic checks that the datasets are valid for this mesh
 
         Parameters
@@ -510,7 +512,7 @@ class RegularMesh(StructuredMesh):
 
     """
 
-    def __init__(self, mesh_id=None, name=''):
+    def __init__(self, mesh_id: typing.Optional[int] = None, name: str = ''):
         super().__init__(mesh_id, name)
 
         self._dimension = None
@@ -523,7 +525,7 @@ class RegularMesh(StructuredMesh):
         return tuple(self._dimension)
 
     @dimension.setter
-    def dimension(self, dimension):
+    def dimension(self, dimension: typing.Iterable[int]):
         cv.check_type('mesh dimension', dimension, Iterable, Integral)
         cv.check_length('mesh dimension', dimension, 1, 3)
         self._dimension = dimension
@@ -540,7 +542,7 @@ class RegularMesh(StructuredMesh):
         return self._lower_left
 
     @lower_left.setter
-    def lower_left(self, lower_left):
+    def lower_left(self, lower_left: typing.Iterable[Real]):
         cv.check_type('mesh lower_left', lower_left, Iterable, Real)
         cv.check_length('mesh lower_left', lower_left, 1, 3)
         self._lower_left = lower_left
@@ -560,7 +562,7 @@ class RegularMesh(StructuredMesh):
                 return [l + w * d for l, w, d in zip(ls, ws, dims)]
 
     @upper_right.setter
-    def upper_right(self, upper_right):
+    def upper_right(self, upper_right: typing.Iterable[Real]):
         cv.check_type('mesh upper_right', upper_right, Iterable, Real)
         cv.check_length('mesh upper_right', upper_right, 1, 3)
         self._upper_right = upper_right
@@ -584,7 +586,7 @@ class RegularMesh(StructuredMesh):
                 return [(u - l) / d for u, l, d in zip(us, ls, dims)]
 
     @width.setter
-    def width(self, width):
+    def width(self, width: typing.Iterable[Real]):
         cv.check_type('mesh width', width, Iterable, Real)
         cv.check_length('mesh width', width, 1, 3)
         self._width = width
@@ -674,7 +676,7 @@ class RegularMesh(StructuredMesh):
         return string
 
     @classmethod
-    def from_hdf5(cls, group):
+    def from_hdf5(cls, group: h5py.Group):
         mesh_id = int(group.name.split('/')[-1].lstrip('mesh '))
 
         # Read and assign mesh properties
@@ -691,7 +693,13 @@ class RegularMesh(StructuredMesh):
         return mesh
 
     @classmethod
-    def from_rect_lattice(cls, lattice, division=1, mesh_id=None, name=''):
+    def from_rect_lattice(
+        cls,
+        lattice: 'openmc.RectLattice',
+        division: int = 1,
+        mesh_id: typing.Optional[int] = None,
+        name: str = ''
+    ):
         """Create mesh from an existing rectangular lattice
 
         Parameters
@@ -727,10 +735,10 @@ class RegularMesh(StructuredMesh):
     @classmethod
     def from_domain(
         cls,
-        domain,
-        dimension=(10, 10, 10),
-        mesh_id=None,
-        name=''
+        domain: typing.Union['openmc.Cell', 'openmc.Region', 'openmc.Universe', 'openmc.Geometry'],
+        dimension: typing.Sequence[int] = (10, 10, 10),
+        mesh_id: typing.Optional[int] = None,
+        name: str = ''
     ):
         """Create mesh from an existing openmc cell, region, universe or
         geometry by making use of the objects bounding box property.
@@ -797,7 +805,7 @@ class RegularMesh(StructuredMesh):
         return element
 
     @classmethod
-    def from_xml_element(cls, elem):
+    def from_xml_element(cls, elem: ET.Element):
         """Generate mesh from an XML element
 
         Parameters
@@ -836,7 +844,7 @@ class RegularMesh(StructuredMesh):
 
         return mesh
 
-    def build_cells(self, bc=None):
+    def build_cells(self, bc: typing.Optional[str] = None):
         """Generates a lattice of universes with the same dimensionality
         as the mesh object.  The individual cells/universes produced
         will not have material definitions applied and so downstream code
@@ -961,6 +969,7 @@ class RegularMesh(StructuredMesh):
 
         return root_cell, cells
 
+
 def Mesh(*args, **kwargs):
     warnings.warn("Mesh has been renamed RegularMesh. Future versions of "
                   "OpenMC will not accept the name Mesh.")
@@ -999,7 +1008,7 @@ class RectilinearMesh(StructuredMesh):
 
     """
 
-    def __init__(self, mesh_id=None, name=''):
+    def __init__(self, mesh_id: int = None, name: str = ''):
         super().__init__(mesh_id, name)
 
         self._x_grid = None
@@ -1106,7 +1115,7 @@ class RectilinearMesh(StructuredMesh):
         return string
 
     @classmethod
-    def from_hdf5(cls, group):
+    def from_hdf5(cls, group: h5py.Group):
         mesh_id = int(group.name.split('/')[-1].lstrip('mesh '))
 
         # Read and assign mesh properties
@@ -1118,7 +1127,7 @@ class RectilinearMesh(StructuredMesh):
         return mesh
 
     @classmethod
-    def from_xml_element(cls, elem):
+    def from_xml_element(cls, elem: ET.Element):
         """Generate a rectilinear mesh from an XML element
 
         Parameters
@@ -1203,7 +1212,7 @@ class CylindricalMesh(StructuredMesh):
 
     """
 
-    def __init__(self, mesh_id=None, name=''):
+    def __init__(self, mesh_id: int = None, name: str = ''):
         super().__init__(mesh_id, name)
 
         self._r_grid = None
@@ -1252,7 +1261,7 @@ class CylindricalMesh(StructuredMesh):
     @property
     def z_grid(self):
         return self._z_grid
-    
+
     @z_grid.setter
     def z_grid(self, grid):
         cv.check_type('mesh z_grid', grid, Iterable, Real)
@@ -1295,7 +1304,7 @@ class CylindricalMesh(StructuredMesh):
         return string
 
     @classmethod
-    def from_hdf5(cls, group):
+    def from_hdf5(cls, group: h5py.Group):
         mesh_id = int(group.name.split('/')[-1].lstrip('mesh '))
 
         # Read and assign mesh properties
@@ -1311,10 +1320,10 @@ class CylindricalMesh(StructuredMesh):
     @classmethod
     def from_domain(
         cls,
-        domain,
-        dimension=(10, 10, 10),
-        mesh_id=None,
-        phi_grid_bounds=(0.0, 2*pi),
+        domain: typing.Union['openmc.Cell', 'openmc.Region', 'openmc.Universe', 'openmc.Geometry'],
+        dimension: typing.Sequence[int] = (10, 10, 10),
+        mesh_id: typing.Optional[int] = None,
+        phi_grid_bounds: typing.Sequence[float] = (0.0, 2*pi),
         name=''
     ):
         """Creates a regular CylindricalMesh from an existing openmc domain.
@@ -1338,8 +1347,8 @@ class CylindricalMesh(StructuredMesh):
 
         Returns
         -------
-        openmc.RegularMesh
-            RegularMesh instance
+        openmc.CylindricalMesh
+            CylindricalMesh instance
 
         """
         cv.check_type(
@@ -1407,7 +1416,7 @@ class CylindricalMesh(StructuredMesh):
         return element
 
     @classmethod
-    def from_xml_element(cls, elem):
+    def from_xml_element(cls, elem: ET.Element):
         """Generate a cylindrical mesh from an XML element
 
         Parameters
@@ -1453,7 +1462,7 @@ class CylindricalMesh(StructuredMesh):
         return self._convert_to_cartesian(self.vertices, self.origin)
 
     @staticmethod
-    def _convert_to_cartesian(arr, origin):
+    def _convert_to_cartesian(arr, origin: typing.Sequence[float]):
         """Converts an array with xyz values in the first dimension (shape (3, ...))
         to Cartesian coordinates.
         """
@@ -1595,7 +1604,7 @@ class SphericalMesh(StructuredMesh):
         return string
 
     @classmethod
-    def from_hdf5(cls, group):
+    def from_hdf5(cls, group: h5py.Group):
         mesh_id = int(group.name.split('/')[-1].lstrip('mesh '))
 
         # Read and assign mesh properties
@@ -1637,7 +1646,7 @@ class SphericalMesh(StructuredMesh):
         return element
 
     @classmethod
-    def from_xml_element(cls, elem):
+    def from_xml_element(cls, elem: ET.Element):
         """Generate a spherical mesh from an XML element
 
         Parameters
@@ -1682,7 +1691,7 @@ class SphericalMesh(StructuredMesh):
         return self._convert_to_cartesian(self.vertices, self.origin)
 
     @staticmethod
-    def _convert_to_cartesian(arr, origin):
+    def _convert_to_cartesian(arr, origin: typing.Sequence[float]):
         """Converts an array with xyz values in the first dimension (shape (3, ...))
         to Cartesian coordinates.
         """
@@ -1757,8 +1766,8 @@ class UnstructuredMesh(MeshBase):
     _LINEAR_TET = 0
     _LINEAR_HEX = 1
 
-    def __init__(self, filename, library, mesh_id=None, name='',
-                 length_multiplier=1.0):
+    def __init__(self, filename: PathLike, library: str, mesh_id: typing.Optional[int] = None,
+                 name: str = '', length_multiplier: float = 1.0):
         super().__init__(mesh_id, name)
         self.filename = filename
         self._volumes = None
@@ -1783,7 +1792,7 @@ class UnstructuredMesh(MeshBase):
         return self._library
 
     @library.setter
-    def library(self, lib):
+    def library(self, lib: str):
         cv.check_value('Unstructured mesh library', lib, ('moab', 'libmesh'))
         self._library = lib
 
@@ -1792,7 +1801,7 @@ class UnstructuredMesh(MeshBase):
         return self._size
 
     @size.setter
-    def size(self, size):
+    def size(self, size: int):
         cv.check_type("Unstructured mesh size", size, Integral)
         self._size = size
 
@@ -1801,7 +1810,7 @@ class UnstructuredMesh(MeshBase):
         return self._output
 
     @output.setter
-    def output(self, val):
+    def output(self, val: bool):
         cv.check_type("Unstructured mesh output value", val, bool)
         self._output = val
 
@@ -1819,7 +1828,7 @@ class UnstructuredMesh(MeshBase):
         return self._volumes
 
     @volumes.setter
-    def volumes(self, volumes):
+    def volumes(self, volumes: typing.Iterable[Real]):
         cv.check_type("Unstructured mesh volumes", volumes, Iterable, Real)
         self._volumes = volumes
 
@@ -1851,7 +1860,7 @@ class UnstructuredMesh(MeshBase):
         return self._n_elements
 
     @n_elements.setter
-    def n_elements(self, val):
+    def n_elements(self, val: int):
         cv.check_type('Number of elements', val, Integral)
         self._n_elements = val
 
@@ -1883,7 +1892,7 @@ class UnstructuredMesh(MeshBase):
                                               self.length_multiplier)
         return string
 
-    def centroid(self, bin):
+    def centroid(self, bin: int):
         """Return the vertex averaged centroid of an element
 
         Parameters
@@ -1927,7 +1936,12 @@ class UnstructuredMesh(MeshBase):
         )
         self.write_data_to_vtk(**kwargs)
 
-    def write_data_to_vtk(self, filename=None, datasets=None, volume_normalization=True):
+    def write_data_to_vtk(
+            self,
+            filename: typing.Optional[PathLike] = None,
+            datasets: typing.Optional[dict] = None,
+            volume_normalization: bool = True
+    ):
         """Map data to unstructured VTK mesh elements.
 
         Parameters
@@ -2019,7 +2033,7 @@ class UnstructuredMesh(MeshBase):
         writer.Write()
 
     @classmethod
-    def from_hdf5(cls, group):
+    def from_hdf5(cls, group: h5py.Group):
         mesh_id = int(group.name.split('/')[-1].lstrip('mesh '))
         filename = group['filename'][()].decode()
         library = group['library'][()].decode()
@@ -2063,7 +2077,7 @@ class UnstructuredMesh(MeshBase):
         return element
 
     @classmethod
-    def from_xml_element(cls, elem):
+    def from_xml_element(cls, elem: ET.Element):
         """Generate unstructured mesh object from XML element
 
         Parameters

From 6de37ebc0b53d2876a8950b81dfb088d625eb208 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Sat, 22 Jul 2023 00:37:26 +0100
Subject: [PATCH 1898/2654] updated docs to use IndependentSource (#2604)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 docs/source/usersguide/settings.rst         | 10 +++++-----
 tests/regression_tests/pulse_height/test.py |  8 +++++---
 2 files changed, 10 insertions(+), 8 deletions(-)

diff --git a/docs/source/usersguide/settings.rst b/docs/source/usersguide/settings.rst
index 58dbe7f0e..69089d14d 100644
--- a/docs/source/usersguide/settings.rst
+++ b/docs/source/usersguide/settings.rst
@@ -225,7 +225,7 @@ distributed over a cube centered at the origin with an edge length of 10 cm, and
 emitting a pulse of particles from 0 to 10 µs, one
 would run::
 
-  source = openmc.Source()
+  source = openmc.IndependentSource()
   source.space = openmc.stats.Box((-5, -5, -5), (5, 5, 5))
   source.angle = openmc.stats.Isotropic()
   source.energy = openmc.stats.Discrete([10.0e6], [1.0])
@@ -237,11 +237,11 @@ that indicates the relative strength of a source distribution if multiple are
 used. For example, to create two sources, one that should be sampled 70% of the
 time and another that should be sampled 30% of the time::
 
-  src1 = openmc.Source()
+  src1 = openmc.IndependentSource()
   src1.strength = 0.7
   ...
 
-  src2 = openmc.Source()
+  src2 = openmc.IndependentSource()
   src2.strength = 0.3
   ...
 
@@ -251,7 +251,7 @@ Finally, the :attr:`Source.particle` attribute can be used to indicate the
 source should be composed of particles other than neutrons. For example, the
 following would generate a photon source::
 
-  source = openmc.Source()
+  source = openmc.IndependentSource()
   source.particle = 'photon'
   ...
 
@@ -266,7 +266,7 @@ File-based Sources
 OpenMC can use a pregenerated HDF5 source file by specifying the ``filename``
 argument to :class:`openmc.Source`::
 
-  settings.source = openmc.Source(filename='source.h5')
+  settings.source = openmc.IndependentSource(filename='source.h5')
 
 Statepoint and source files are generated automatically when a simulation is run
 and can be used as the starting source in a new simulation. Alternatively, a
diff --git a/tests/regression_tests/pulse_height/test.py b/tests/regression_tests/pulse_height/test.py
index c6459a866..90d960f66 100644
--- a/tests/regression_tests/pulse_height/test.py
+++ b/tests/regression_tests/pulse_height/test.py
@@ -30,9 +30,11 @@ def sphere_model():
     model.settings.batches = 5
     model.settings.particles = 100
     model.settings.photon_transport = True
-    model.settings.source = openmc.Source(space=openmc.stats.Point(),
-                                          energy=openmc.stats.Discrete([1e6],[1]),
-                                          particle='photon')
+    model.settings.source = openmc.IndependentSource(
+        space=openmc.stats.Point(),
+        energy=openmc.stats.Discrete([1e6], [1]),
+        particle='photon'
+    )
 
     # Define tallies
     tally = openmc.Tally(name="pht tally")

From 7397dae12d6150bbcc2f9eaab9d78287251afcfa Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Sat, 22 Jul 2023 02:45:13 +0100
Subject: [PATCH 1899/2654] Mesh dimension doc string to include order details
 (#2610)

---
 openmc/mesh.py | 14 ++++++++------
 1 file changed, 8 insertions(+), 6 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 917aaa8a8..8e9d3fadb 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -397,7 +397,7 @@ class StructuredMesh(MeshBase):
 
         # Add all points to the unstructured grid, maintaining a flat list of IDs as we go ###
 
-        # flat array storind point IDs for a given vertex
+        # flat array storing point IDs for a given vertex
         # in the grid
         point_ids = []
 
@@ -495,7 +495,7 @@ class RegularMesh(StructuredMesh):
     name : str
         Name of the mesh
     dimension : Iterable of int
-        The number of mesh cells in each direction.
+        The number of mesh cells in each direction (x, y, z).
     n_dimension : int
         Number of mesh dimensions.
     lower_left : Iterable of float
@@ -750,7 +750,7 @@ class RegularMesh(StructuredMesh):
             bounding box of the property of the object passed will be used to
             set the lower_left and upper_right of the mesh instance
         dimension : Iterable of int
-            The number of mesh cells in each direction.
+            The number of mesh cells in each direction (x, y, z).
         mesh_id : int
             Unique identifier for the mesh
         name : str
@@ -993,7 +993,7 @@ class RectilinearMesh(StructuredMesh):
     name : str
         Name of the mesh
     dimension : Iterable of int
-        The number of mesh cells in each direction.
+        The number of mesh cells in each direction (x, y, z).
     n_dimension : int
         Number of mesh dimensions (always 3 for a RectilinearMesh).
     x_grid : numpy.ndarray
@@ -1192,7 +1192,8 @@ class CylindricalMesh(StructuredMesh):
     name : str
         Name of the mesh
     dimension : Iterable of int
-        The number of mesh cells in each direction.
+        The number of mesh cells in each direction (r_grid,
+        phi_grid, z_grid).
     n_dimension : int
         Number of mesh dimensions (always 3 for a CylindricalMesh).
     r_grid : numpy.ndarray
@@ -1491,7 +1492,8 @@ class SphericalMesh(StructuredMesh):
     name : str
         Name of the mesh
     dimension : Iterable of int
-        The number of mesh cells in each direction.
+        The number of mesh cells in each direction (r_grid,
+        theta_grid, phi_grid).
     n_dimension : int
         Number of mesh dimensions (always 3 for a SphericalMesh).
     r_grid : numpy.ndarray

From afa6ceb7d7a71ede2fbc5de983fb0fbc521e80f1 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Sat, 22 Jul 2023 15:18:46 -0500
Subject: [PATCH 1900/2654] Adding ability to set additional ww attrs from
 openmc.lib (#2609)

Co-authored-by: Jonathan Shimwell <mail@jshimwell.com>
---
 include/openmc/capi.h                         | 10 +++
 include/openmc/weight_windows.h               | 16 ++++
 openmc/lib/weight_windows.py                  | 72 +++++++++++++++++
 openmc/weight_windows.py                      |  1 +
 src/weight_windows.cpp                        | 80 +++++++++++++++++++
 tests/unit_tests/weightwindows/test_ww_gen.py | 22 ++++-
 6 files changed, 199 insertions(+), 2 deletions(-)

diff --git a/include/openmc/capi.h b/include/openmc/capi.h
index ac69c652f..a444814f5 100644
--- a/include/openmc/capi.h
+++ b/include/openmc/capi.h
@@ -191,6 +191,16 @@ int openmc_weight_windows_get_bounds(int32_t index, const double** lower_bounds,
   const double** upper_bounds, size_t* size);
 int openmc_weight_windows_set_bounds(int32_t index, const double* lower_bounds,
   const double* upper_bounds, size_t size);
+int openmc_weight_windows_get_survival_ratio(int32_t index, double* ratio);
+int openmc_weight_windows_set_survival_ratio(int32_t index, double ratio);
+int openmc_weight_windows_get_max_lower_bound_ratio(
+  int32_t index, double* lb_ratio);
+int openmc_weight_windows_set_max_lower_bound_ratio(
+  int32_t index, double lb_ratio);
+int openmc_weight_windows_get_weight_cutoff(int32_t index, double* cutoff);
+int openmc_weight_windows_set_weight_cutoff(int32_t index, double cutoff);
+int openmc_weight_windows_get_max_split(int32_t index, int* max_split);
+int openmc_weight_windows_set_max_split(int32_t index, int max_split);
 size_t openmc_weight_windows_size();
 int openmc_weight_windows_export(const char* filename = nullptr);
 int openmc_weight_windows_import(const char* filename = nullptr);
diff --git a/include/openmc/weight_windows.h b/include/openmc/weight_windows.h
index 992c8fdc1..9852fe679 100644
--- a/include/openmc/weight_windows.h
+++ b/include/openmc/weight_windows.h
@@ -155,6 +155,22 @@ public:
 
   void set_particle_type(ParticleType p_type);
 
+  double survival_ratio() const { return survival_ratio_; }
+
+  double& survival_ratio() { return survival_ratio_; }
+
+  double max_lower_bound_ratio() const { return max_lb_ratio_; }
+
+  double& max_lower_bound_ratio() { return max_lb_ratio_; }
+
+  int max_split() const { return max_split_; }
+
+  int& max_split() { return max_split_; }
+
+  double weight_cutoff() const { return weight_cutoff_; }
+
+  double& weight_cutoff() { return weight_cutoff_; }
+
   //----------------------------------------------------------------------------
   // Accessors
   int32_t id() const { return id_; }
diff --git a/openmc/lib/weight_windows.py b/openmc/lib/weight_windows.py
index e881f1d31..2984eb233 100644
--- a/openmc/lib/weight_windows.py
+++ b/openmc/lib/weight_windows.py
@@ -69,6 +69,38 @@ _dll.openmc_weight_windows_get_bounds.argtypes = [c_int32, POINTER(POINTER(c_dou
 _dll.openmc_weight_windows_get_bounds.restype = c_int
 _dll.openmc_weight_windows_get_bounds.errcheck = _error_handler
 
+_dll.openmc_weight_windows_get_survival_ratio.argtypes = [c_int32, POINTER(c_double)]
+_dll.openmc_weight_windows_get_survival_ratio.restype = c_int
+_dll.openmc_weight_windows_get_survival_ratio.errcheck = _error_handler
+
+_dll.openmc_weight_windows_set_survival_ratio.argtypes = [c_int32, c_double]
+_dll.openmc_weight_windows_set_survival_ratio.restype = c_int
+_dll.openmc_weight_windows_set_survival_ratio.errcheck = _error_handler
+
+_dll.openmc_weight_windows_get_max_lower_bound_ratio.argtypes = [c_int32, POINTER(c_double)]
+_dll.openmc_weight_windows_get_max_lower_bound_ratio.restype = c_int
+_dll.openmc_weight_windows_get_max_lower_bound_ratio.errcheck = _error_handler
+
+_dll.openmc_weight_windows_set_max_lower_bound_ratio.argtypes = [c_int32, c_double]
+_dll.openmc_weight_windows_set_max_lower_bound_ratio.restype = c_int
+_dll.openmc_weight_windows_set_max_lower_bound_ratio.errcheck = _error_handler
+
+_dll.openmc_weight_windows_get_weight_cutoff.argtypes = [c_int32, POINTER(c_double)]
+_dll.openmc_weight_windows_get_weight_cutoff.restype = c_int
+_dll.openmc_weight_windows_get_weight_cutoff.errcheck = _error_handler
+
+_dll.openmc_weight_windows_set_weight_cutoff.argtypes = [c_int32, c_double]
+_dll.openmc_weight_windows_set_weight_cutoff.restype = c_int
+_dll.openmc_weight_windows_set_weight_cutoff.errcheck = _error_handler
+
+_dll.openmc_weight_windows_get_max_split.argtypes = [c_int32, POINTER(c_int)]
+_dll.openmc_weight_windows_get_max_split.restype = c_int
+_dll.openmc_weight_windows_get_max_split.errcheck = _error_handler
+
+_dll.openmc_weight_windows_set_max_split.argtypes = [c_int32, c_int]
+_dll.openmc_weight_windows_set_max_split.restype = c_int
+_dll.openmc_weight_windows_set_max_split.errcheck = _error_handler
+
 
 class WeightWindows(_FortranObjectWithID):
     """WeightWindows stored internally.
@@ -201,6 +233,46 @@ class WeightWindows(_FortranObjectWithID):
 
         _dll.openmc_weight_windows_set_bounds(self._index, lower_p, upper_p, lower.size)
 
+    @property
+    def survival_ratio(self):
+        ratio = c_double()
+        _dll.openmc_weight_windows_get_survival_ratio(self._index, ratio)
+        return ratio.value
+
+    @survival_ratio.setter
+    def survival_ratio(self, ratio):
+        _dll.openmc_weight_windows_set_survival_ratio(self._index, ratio)
+
+    @property
+    def max_lower_bound_ratio(self):
+        lb_ratio = c_double()
+        _dll.openmc_weight_windows_get_max_lower_bound_ratio(self._index, lb_ratio)
+        return lb_ratio.value
+
+    @max_lower_bound_ratio.setter
+    def max_lower_bound_ratio(self, lb_ratio):
+        _dll.openmc_weight_windows_set_max_lower_bound_ratio(self._index, lb_ratio)
+
+    @property
+    def weight_cutoff(self):
+        cutoff = c_double()
+        _dll.openmc_weight_windows_get_weight_cutoff(self._index, cutoff)
+        return cutoff.value
+
+    @weight_cutoff.setter
+    def weight_cutoff(self, cutoff):
+        _dll.openmc_weight_windows_set_weight_cutoff(self._index, cutoff)
+
+    @property
+    def max_split(self):
+        max_split = c_int()
+        _dll.openmc_weight_windows_get_max_split(self._index, max_split)
+        return max_split.value
+
+    @max_split.setter
+    def max_split(self, max_split):
+        _dll.openmc_weight_windows_set_max_split(self._index, max_split)
+
     def update_magic(self, tally, value='mean', threshold=1.0, ratio=5.0):
         """Update weight window values using the MAGIC method
 
diff --git a/openmc/weight_windows.py b/openmc/weight_windows.py
index 3a0a8a354..6caa87e43 100644
--- a/openmc/weight_windows.py
+++ b/openmc/weight_windows.py
@@ -166,6 +166,7 @@ class WeightWindows(IDManagerMixin):
         string += '{: <16}=\t{}\n'.format('\tMesh', self.mesh)
         string += '{: <16}=\t{}\n'.format('\tParticle Type', self._particle_type)
         string += '{: <16}=\t{}\n'.format('\tEnergy Bounds', self._energy_bounds)
+        string += '{: <16}=\t{}\n'.format('\tMax lower bound ratio', self.max_lower_bound_ratio)
         string += '{: <16}=\t{}\n'.format('\tLower WW Bounds', self._lower_ww_bounds)
         string += '{: <16}=\t{}\n'.format('\tUpper WW Bounds', self._upper_ww_bounds)
         string += '{: <16}=\t{}\n'.format('\tSurvival Ratio', self._survival_ratio)
diff --git a/src/weight_windows.cpp b/src/weight_windows.cpp
index a1f8731f8..fe2fcb5cb 100644
--- a/src/weight_windows.cpp
+++ b/src/weight_windows.cpp
@@ -1024,6 +1024,86 @@ extern "C" int openmc_weight_windows_set_bounds(int32_t index,
   return 0;
 }
 
+extern "C" int openmc_weight_windows_get_survival_ratio(
+  int32_t index, double* ratio)
+{
+  if (int err = verify_ww_index(index))
+    return err;
+  const auto& wws = variance_reduction::weight_windows[index];
+  *ratio = wws->survival_ratio();
+  return 0;
+}
+
+extern "C" int openmc_weight_windows_set_survival_ratio(
+  int32_t index, double ratio)
+{
+  if (int err = verify_ww_index(index))
+    return err;
+  const auto& wws = variance_reduction::weight_windows[index];
+  wws->survival_ratio() = ratio;
+  std::cout << "Survival ratio: " << wws->survival_ratio() << std::endl;
+  return 0;
+}
+
+extern "C" int openmc_weight_windows_get_max_lower_bound_ratio(
+  int32_t index, double* lb_ratio)
+{
+  if (int err = verify_ww_index(index))
+    return err;
+  const auto& wws = variance_reduction::weight_windows[index];
+  *lb_ratio = wws->max_lower_bound_ratio();
+  return 0;
+}
+
+extern "C" int openmc_weight_windows_set_max_lower_bound_ratio(
+  int32_t index, double lb_ratio)
+{
+  if (int err = verify_ww_index(index))
+    return err;
+  const auto& wws = variance_reduction::weight_windows[index];
+  wws->max_lower_bound_ratio() = lb_ratio;
+  return 0;
+}
+
+extern "C" int openmc_weight_windows_get_weight_cutoff(
+  int32_t index, double* cutoff)
+{
+  if (int err = verify_ww_index(index))
+    return err;
+  const auto& wws = variance_reduction::weight_windows[index];
+  *cutoff = wws->weight_cutoff();
+  return 0;
+}
+
+extern "C" int openmc_weight_windows_set_weight_cutoff(
+  int32_t index, double cutoff)
+{
+  if (int err = verify_ww_index(index))
+    return err;
+  const auto& wws = variance_reduction::weight_windows[index];
+  wws->weight_cutoff() = cutoff;
+  return 0;
+}
+
+extern "C" int openmc_weight_windows_get_max_split(
+  int32_t index, int* max_split)
+{
+  if (int err = verify_ww_index(index))
+    return err;
+  const auto& wws = variance_reduction::weight_windows[index];
+  *max_split = wws->max_split();
+  return 0;
+}
+
+extern "C" int openmc_weight_windows_set_max_split(int32_t index, int max_split)
+{
+  if (int err = verify_ww_index(index))
+    return err;
+  const auto& wws = variance_reduction::weight_windows[index];
+  wws->max_split() = max_split;
+  return 0;
+}
+
 extern "C" int openmc_extend_weight_windows(
   int32_t n, int32_t* index_start, int32_t* index_end)
 {
diff --git a/tests/unit_tests/weightwindows/test_ww_gen.py b/tests/unit_tests/weightwindows/test_ww_gen.py
index a1aaca5b0..072e332cb 100644
--- a/tests/unit_tests/weightwindows/test_ww_gen.py
+++ b/tests/unit_tests/weightwindows/test_ww_gen.py
@@ -206,19 +206,37 @@ def test_ww_import_export(run_in_tmpdir, model):
 
     lb_before, up_before = ww.bounds
 
+    # set some additional weight windows properties after transport
+    ww.survival_ratio = 0.7
+    assert ww.survival_ratio == 0.7
+
+    ww.weight_cutoff = 1e-10
+    assert ww.weight_cutoff == 1e-10
+
+    ww.max_lower_bound_ratio = 200.0
+    assert ww.max_lower_bound_ratio == 200.0
+
+    ww.max_split = 26000
+    assert ww.max_split == 26000
+
     openmc.lib.export_weight_windows()
 
     assert Path('weight_windows.h5').exists()
 
     openmc.lib.import_weight_windows('weight_windows.h5')
 
-    ww = openmc.lib.weight_windows[2]
+    imported_ww = openmc.lib.weight_windows[2]
 
-    lb_after, up_after = ww.bounds
+    lb_after, up_after = imported_ww.bounds
 
     assert np.allclose(lb_before, lb_after)
     assert np.allclose(up_before, up_after)
 
+    assert ww.survival_ratio == imported_ww.survival_ratio
+    assert ww.max_lower_bound_ratio == imported_ww.max_lower_bound_ratio
+    assert ww.weight_cutoff == imported_ww.weight_cutoff
+    assert ww.max_split == imported_ww.max_split
+
     openmc.lib.finalize()
 
 

From d47e9a10928d594dcf5e29acccdb65bc75950c4c Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Sun, 23 Jul 2023 23:26:13 +0100
Subject: [PATCH 1901/2654] allowing geometry to be fully made via constructor
 (#2602)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/geometry.py                | 11 ++++++++---
 tests/unit_tests/test_geometry.py |  9 +++++++--
 2 files changed, 15 insertions(+), 5 deletions(-)

diff --git a/openmc/geometry.py b/openmc/geometry.py
index d4e7aa201..f32e979bb 100644
--- a/openmc/geometry.py
+++ b/openmc/geometry.py
@@ -39,11 +39,16 @@ class Geometry:
 
     """
 
-    def __init__(self, root=None):
+    def __init__(
+        self,
+        root: typing.Optional[openmc.UniverseBase] = None,
+        merge_surfaces: bool = False,
+        surface_precision: int = 10
+    ):
         self._root_universe = None
         self._offsets = {}
-        self.merge_surfaces = False
-        self.surface_precision = 10
+        self.merge_surfaces = merge_surfaces
+        self.surface_precision = surface_precision
         if root is not None:
             if isinstance(root, openmc.UniverseBase):
                 self.root_universe = root
diff --git a/tests/unit_tests/test_geometry.py b/tests/unit_tests/test_geometry.py
index 6fa34d26d..ebb185642 100644
--- a/tests/unit_tests/test_geometry.py
+++ b/tests/unit_tests/test_geometry.py
@@ -362,8 +362,13 @@ def test_remove_redundant_surfaces():
     clad = get_cyl_cell(r1, r2, z1, z2, m2)
     water = get_cyl_cell(r2, r3, z1, z2, m3)
     root = openmc.Universe(cells=[fuel, clad, water])
-    geom = openmc.Geometry(root)
-    geom.merge_surfaces=True
+    geom = openmc.Geometry(root=root, merge_surfaces=True, surface_precision=11)
+    assert geom.merge_surfaces is True
+    geom.merge_surfaces = False
+    assert geom.merge_surfaces is False
+    assert geom.surface_precision == 11
+    geom.surface_precision = 10
+    assert geom.surface_precision == 10
     model = openmc.model.Model(geometry=geom,
                                materials=openmc.Materials([m1, m2, m3]))
 

From 3152a2efad16e056e549bf5250a7592dfb8225ee Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 25 Jul 2023 08:40:52 -0500
Subject: [PATCH 1902/2654] XML read fixes in Plot classes (#2623)

---
 openmc/plots.py                | 15 +++++++++------
 tests/unit_tests/test_plots.py | 22 ++++++++++++++++++++++
 2 files changed, 31 insertions(+), 6 deletions(-)

diff --git a/openmc/plots.py b/openmc/plots.py
index 5bc8a2e6e..6afe3ea33 100644
--- a/openmc/plots.py
+++ b/openmc/plots.py
@@ -11,7 +11,7 @@ import openmc
 import openmc.checkvalue as cv
 from openmc.checkvalue import PathLike
 
-from ._xml import clean_indentation, get_elem_tuple, reorder_attributes
+from ._xml import clean_indentation, get_elem_tuple, reorder_attributes, get_text
 from .mixin import IDManagerMixin
 
 _BASES = ['xy', 'xz', 'yz']
@@ -482,6 +482,9 @@ class PlotBase(IDManagerMixin):
         """
 
         element = ET.Element("plot")
+        element.set("id", str(self._id))
+        if len(self._name) > 0:
+            element.set("name", str(self.name))
         if self._filename is not None:
             element.set("filename", self._filename)
         element.set("color_by", self._color_by)
@@ -782,7 +785,6 @@ class Plot(PlotBase):
         """
 
         element = super().to_xml_element()
-        element.set("id", str(self._id))
         element.set("type", self._type)
 
         if self._type == 'slice':
@@ -843,12 +845,14 @@ class Plot(PlotBase):
 
         """
         plot_id = int(elem.get("id"))
-        plot = cls(plot_id)
+        name = get_text(elem, 'name', '')
+        plot = cls(plot_id, name)
         if "filename" in elem.keys():
             plot.filename = elem.get("filename")
         plot.color_by = elem.get("color_by")
         plot.type = elem.get("type")
-        plot.basis = elem.get("basis")
+        if plot.type == 'slice':
+            plot.basis = elem.get("basis")
 
         plot.origin = get_elem_tuple(elem, "origin", float)
         plot.width = get_elem_tuple(elem, "width", float)
@@ -1176,7 +1180,6 @@ class ProjectionPlot(PlotBase):
         """
 
         element = super().to_xml_element()
-        element.set("id", str(self._id))
         element.set("type", "projection")
 
         subelement = ET.SubElement(element, "camera_position")
@@ -1276,7 +1279,7 @@ class ProjectionPlot(PlotBase):
 
         tmp = elem.find("orthographic_width")
         if tmp is not None:
-            self.orthographic_width = float(tmp)
+            plot.orthographic_width = float(tmp)
 
         plot.pixels = get_elem_tuple(elem, "pixels")
         plot.camera_position = get_elem_tuple(elem, "camera_position", float)
diff --git a/tests/unit_tests/test_plots.py b/tests/unit_tests/test_plots.py
index 5e5e1f22c..922e4d9dc 100644
--- a/tests/unit_tests/test_plots.py
+++ b/tests/unit_tests/test_plots.py
@@ -199,3 +199,25 @@ def test_plots(run_in_tmpdir):
     assert new_plots[0].colors == p1.colors
     assert new_plots[0].mask_components == p1.mask_components
     assert new_plots[1].origin == p2.origin
+
+
+def test_voxel_plot_roundtrip():
+    # Define a voxel plot and create XML element
+    plot = openmc.Plot(name='my voxel plot')
+    plot.type = 'voxel'
+    plot.filename = 'voxel1'
+    plot.pixels = (50, 50, 50)
+    plot.origin = (0., 0., 0.)
+    plot.width = (75., 75., 75.)
+    plot.color_by = 'material'
+    elem = plot.to_xml_element()
+
+    # Read back from XML and make sure it hasn't changed
+    new_plot = plot.from_xml_element(elem)
+    assert new_plot.name == plot.name
+    assert new_plot.filename == plot.filename
+    assert new_plot.type == plot.type
+    assert new_plot.pixels == plot.pixels
+    assert new_plot.origin == plot.origin
+    assert new_plot.width == plot.width
+    assert new_plot.color_by == plot.color_by

From 77aedc5b42f836ab1ca26c70f9989ee29fc74820 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 25 Jul 2023 08:48:00 -0500
Subject: [PATCH 1903/2654] Fix mention of cmake flag in troubleshooting guide
 (#2622)

---
 docs/source/usersguide/troubleshoot.rst | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/docs/source/usersguide/troubleshoot.rst b/docs/source/usersguide/troubleshoot.rst
index b1cd80f3e..f86ed7274 100644
--- a/docs/source/usersguide/troubleshoot.rst
+++ b/docs/source/usersguide/troubleshoot.rst
@@ -28,7 +28,7 @@ commands:
 .. code-block:: sh
 
     mkdir build-debug && cd build-debug
-    cmake -Ddebug=on /path/to/openmc
+    cmake -DCMAKE_BUILD_TYPE=Debug /path/to/openmc
     make
 
 Now when you re-run your problem, it should report exactly where the program

From e7d1a13f33bfb2a991ddf9d3618c2db78dae8885 Mon Sep 17 00:00:00 2001
From: kevinm387 <65828579+kevinm387@users.noreply.github.com>
Date: Tue, 25 Jul 2023 14:11:21 -0700
Subject: [PATCH 1904/2654] Add get_activity() function to deplete.Results
 class (#2617)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/deplete/results.py                    | 55 +++++++++++++++++++-
 tests/unit_tests/test_deplete_resultslist.py | 21 ++++++++
 2 files changed, 75 insertions(+), 1 deletion(-)

diff --git a/openmc/deplete/results.py b/openmc/deplete/results.py
index f250ab363..bd1f884d5 100644
--- a/openmc/deplete/results.py
+++ b/openmc/deplete/results.py
@@ -2,7 +2,7 @@ import numbers
 import bisect
 import math
 import typing  # required to prevent typing.Union namespace overwriting Union
-from typing import Iterable, Optional, Tuple
+from typing import Iterable, Optional, Tuple, List
 from warnings import warn
 
 import h5py
@@ -95,6 +95,59 @@ class Results(list):
         )
         return cls(filename)
 
+    def get_activity(
+        self,
+        mat: typing.Union[Material, str],
+        units: str = "Bq/cm3",
+        by_nuclide: bool = False, 
+        volume: Optional[float] = None
+    ) -> Tuple[np.ndarray, typing.Union[np.ndarray, List[dict]]]:
+        """Get activity of material over time.
+
+        Parameters
+        ----------
+        mat : openmc.Material, str
+            Material object or material id to evaluate
+        units : {'Bq', 'Bq/g', 'Bq/cm3'}
+            Specifies the type of activity to return, options include total
+            activity [Bq], specific [Bq/g] or volumetric activity [Bq/cm3].
+        by_nuclide : bool
+            Specifies if the activity should be returned for the material as a
+            whole or per nuclide. Default is False.
+        volume : float, optional
+            Volume of the material. If not passed, defaults to using the
+            :attr:`Material.volume` attribute.
+
+        Returns
+        -------
+        times : numpy.ndarray
+            Array of times in [s]
+        activities : numpy.ndarray
+            Array of total activities if by_nuclide = False (default)
+            or array of dictionaries of activities by nuclide if
+            by_nuclide = True.
+            
+        """
+        if isinstance(mat, Material):
+            mat_id = str(mat.id)
+        elif isinstance(mat, str):
+            mat_id = mat
+        else:
+            raise TypeError('mat should be of type openmc.Material or str')
+        
+        times = np.empty_like(self, dtype=float)
+        if by_nuclide:
+            activities = [None] * len(self)
+        else:
+            activities = np.empty_like(self, dtype=float)
+
+        # Evaluate activity for each depletion time
+        for i, result in enumerate(self):
+            times[i] = result.time[0]
+            activities[i] = result.get_material(mat_id).get_activity(units, by_nuclide, volume)
+        
+        return times, activities
+
     def get_atoms(
         self,
         mat: typing.Union[Material, str],
diff --git a/tests/unit_tests/test_deplete_resultslist.py b/tests/unit_tests/test_deplete_resultslist.py
index 457a6fea2..f5716eb8a 100644
--- a/tests/unit_tests/test_deplete_resultslist.py
+++ b/tests/unit_tests/test_deplete_resultslist.py
@@ -15,6 +15,27 @@ def res():
                 / 'test_reference.h5')
     return openmc.deplete.Results(filename)
 
+def test_get_activity(res):
+    """Tests evaluating activity"""
+    t, a = res.get_activity("1")
+
+    t_ref = np.array([0.0, 1296000.0, 2592000.0, 3888000.0])
+    a_ref = np.array(
+        [1.25167956e+06, 3.71938527e+11, 4.43264300e+11, 3.55547176e+11])
+
+    np.testing.assert_allclose(t, t_ref)
+    np.testing.assert_allclose(a, a_ref)
+
+    # Check by_nuclide
+    a_xe135_ref = np.array(
+        [2.106574218e+05, 1.227519888e+11, 1.177491828e+11, 1.031986176e+11])
+    t_nuc, a_nuc = res.get_activity("1", by_nuclide=True)
+    
+    a_xe135 = np.array([a_nuc_i["Xe135"] for a_nuc_i in a_nuc])
+
+    np.testing.assert_allclose(t_nuc, t_ref)
+    np.testing.assert_allclose(a_xe135, a_xe135_ref)
+
 
 def test_get_atoms(res):
     """Tests evaluating single nuclide concentration."""

From cd13d3471da30213bf68b91739994b73bb07cb90 Mon Sep 17 00:00:00 2001
From: bscollin <ben.collins@utexas.edu>
Date: Tue, 25 Jul 2023 17:13:00 -0400
Subject: [PATCH 1905/2654] Adds MPACT library group structures and
 documentation to mgxs collection (#2614)

---
 openmc/mgxs/__init__.py | 75 +++++++++++++++++++++++++++++++++++++++--
 1 file changed, 72 insertions(+), 3 deletions(-)

diff --git a/openmc/mgxs/__init__.py b/openmc/mgxs/__init__.py
index 459b6a874..4f12a8fb4 100644
--- a/openmc/mgxs/__init__.py
+++ b/openmc/mgxs/__init__.py
@@ -13,14 +13,20 @@ GROUP_STRUCTURES = {}
 - "XMAS-172_" designed for LWR analysis ([SAR1990]_, [SAN2004]_)
 - "SHEM-361_" designed for LWR analysis to eliminate self-shielding calculations
   of thermal resonances ([HFA2005]_, [SAN2007]_, [HEB2008]_)
-- "SCALE-44" designed for criticality analysis ([ZAL1999]_)
+- "SCALE-X" (where X is 44 which is designed for criticality analysis
+  and 252 is designed for thermal reactors) for the SCALE code suite 
+  ([ZAL1999]_ and [REARDEN2013]_)
+- "MPACT-X" (where X is 51 (PWR), 60 (BWR), 69 (Magnox)) from the MPACT_ reactor
+  physics code ([KIM2019]_ and [KIM2020]_)
 - "ECCO-1968_" designed for fine group reactor cell calculations for fast,
   intermediate and thermal reactor applications ([SAR1990]_)
 - activation_ energy group structures "VITAMIN-J-42", "VITAMIN-J-175",
   "TRIPOLI-315", "CCFE-709_" and "UKAEA-1102_"
 
 .. _CASMO: https://www.studsvik.com/SharepointFiles/CASMO-5%20Development%20and%20Applications.pdf
-.. _SCALE: https://www-nds.iaea.org/publications/indc/indc-czr-0001.pdf
+.. _SCALE44: https://www-nds.iaea.org/publications/indc/indc-czr-0001.pdf
+.. _SCALE252: https://oecd-nea.org/science/wpncs/amct/workingarea/meeting2013/EGAMCT2013_08.pdf
+.. _MPACT: https://vera.ornl.gov/mpact/
 .. _XMAS-172: https://www-nds.iaea.org/wimsd/energy.htm
 .. _SHEM-361: https://www.polymtl.ca/merlin/downloads/FP214.pdf
 .. _activation: https://fispact.ukaea.uk/wiki/Keyword:GETXS
@@ -47,7 +53,18 @@ GROUP_STRUCTURES = {}
    Santamarina-Hfaiedh energy mesh between 22.5 eV and 11.4 keV. International
    Conference on the Physics of Reactors 2008, PHYSOR 08. 2. 929-938.
 .. [ZAL1999] K. Záleský and L. Marková (1999), Assessment of Nuclear Data Needs
-   for Broad-Group SCALE Library Related to VVER Spent Fuel Applications, IAEA.
+   for Broad-Group SCALE Library Related to VVER Spent Fuel Applications, IAEA. SCALE44_.
+.. [REARDEN2013] B. T. Rearden, M. E. Dunn, D. Wiarda, C. Celik, K. Bekar,
+                 M. L. Williams, D. E. Peplow, M. A. Jessee, C. M. Perfetti,
+                 I. C. Gauld, W. A. Wieselquist, J. P. Lefebvre, R. A. Lefebvre,
+                 W. J. Marshall, A. B. Thompson, F. Havluj, S. E. Skutnik,
+                 K. J. Dugan.  (2013). Overview of SCALE 6.2.  OECD.  SCALE252_.
+.. [KIM2019] Kim, K.S., Williams, M., Wiarda, D., & Clarno, K.  (2019). Development
+   of the multigroup cross section library for the CASL neutronics simulator MPACT:
+   Method and procedure.  Annals of Nuclear Energy, 133. pp. 46-58.
+.. [KIM2020] Kim, K.S., Ade, B., & Luciano, N.  (2020). Development
+   of the MPACT 69-group Library for Magnox Reactor Analysis using VERA.
+   Proceedings of International Conference on Physics of Reactors PHYSOR2020.
 """
 
 GROUP_STRUCTURES['CASMO-2'] = np.array([
@@ -80,6 +97,30 @@ GROUP_STRUCTURES['SCALE-44'] = np.array([1e-5, 3.e-3, 7.5e-3, 1.e-2, 2.53e-2,
     3.25e-1, 3.5e-1, 3.75e-1, 4.e-1, 6.25e-1, 1., 1.77, 3., 4.75, 6., 8.1,
     1.e1, 3.e1, 1.e2, 5.5e2, 3.e3, 1.7e4, 2.5e4, 1.e5, 4.e5, 9.e5, 1.4e6,
     1.85e6, 2.354e6, 2.479e6, 3.e6, 4.8e6, 6.434e6, 8.1873e6, 2.e7])
+GROUP_STRUCTURES['MPACT-51'] = np.array([
+    0., 1.e-2, 3.e-2, 4.e-2, 6.e-2, 8.e-2, 1.e-1, 1.5e-1, 2.e-1, 2.75e-1,
+    3.5e-1, 5.e-1, 6.25e-1, 7.5e-1, 9.25e-1, 9.75e-1, 1.010, 1.080, 1.130,
+    1.175, 1.250, 1.450, 1.860, 2.470, 3.730, 4.700, 5.000, 5.400, 6.250,
+    7.150, 8.100, 1.19e+1, 1.44e+1, 3.e+1, 4.83e+1, 7.6e+1, 1.43e+2, 3.05e+2,
+    9.5e+2, 2.25e+3, 9.5e+3, 2.e+4, 5.e+4, 7.3e+4, 2.e+5, 4.92e+5, 8.2e+5,
+    1.356e+6, 2.354e+6, 4.304e+6, 6.434e+6, 2.e+7])
+GROUP_STRUCTURES['MPACT-60'] = np.array([
+    0., 1.e-2, 3.e-2, 4.e-2, 6.e-2, 8.e-2, 1.e-1, 1.5e-1, 2.e-1, 2.75e-1,
+    3.5e-1, 5.e-1, 6.25e-1, 7.5e-1, 9.25e-1, 9.75e-1, 1.01, 1.08, 1.13,
+    1.175, 1.25, 1.45, 1.86, 2.47, 3.73, 4.7, 5., 5.4, 6.25, 7.15, 8.1,
+    1.19e+1, 1.44e+1, 3.e+1, 4.83e+1, 7.6e+1, 1.43e+2, 2.095e+2, 3.05e+2,
+    6.7e+2, 9.5e+2, 1.55e+3, 2.25e+3, 3.9e+3, 9.5e+3, 1.3e+4, 2.e+4, 3.e+4,
+    5.e+4, 7.3e+4, 1.283e+5, 2.e+5, 3.3e+5, 4.92e+5, 6.7e+5, 8.2e+5, 1.356e+6,
+    2.354e+6, 4.304e+6, 6.434e+6, 2.e+7])
+GROUP_STRUCTURES['MPACT-69'] = np.array([
+    0., 1.e-2, 3.e-2, 4.e-2, 6.e-2, 8.e-2, 9.e-2, 1.e-1, 1.25e-1, 1.5e-1,
+    1.75e-1, 2.e-1, 2.25e-1, 2.5e-1, 2.75e-1, 3.e-1, 3.25e-1, 3.5e-1, 3.75e-1,
+    4.e-1, 4.5e-1, 5.e-1, 5.5e-1, 6.e-1, 6.25e-1, 6.5e-1, 7.5e-1, 8.5e-1,
+    9.25e-1, 9.75e-1, 1.01, 1.08, 1.13, 1.175, 1.25, 1.45, 1.86, 2.47, 3.,
+    3.73, 4.7, 5., 5.4, 6.25, 7.15, 8.1, 1.e+1, 1.19e+1, 1.44e+1, 3.e+1,
+    4.83e+1, 7.6e+1, 1.43e+2, 3.05e+2, 5.5e+2, 9.5e+2, 2.25e+3, 3.9e+3, 9.5e+3,
+    2.e+4, 5.e+4, 7.3e+4, 2.e+5, 4.92e+5, 8.2e+5, 1.356e+6, 2.354e+6, 4.304e+6,
+    6.434e+6, 2.e+7])
 GROUP_STRUCTURES['CASMO-70'] = np.array([
     0., 5.e-3, 1.e-2, 1.5e-2, 2.e-2, 2.5e-2, 3.e-2, 3.5e-2, 4.2e-2,
     5.e-2, 5.8e-2, 6.7e-2, 8.e-2, 1.e-1, 1.4e-1, 1.8e-1, 2.2e-1,
@@ -157,6 +198,34 @@ GROUP_STRUCTURES['VITAMIN-J-175'] = np.array([
     1.1052e7, 1.1618e7, 1.2214e7, 1.2523e7, 1.2840e7, 1.3499e7,
     1.3840e7, 1.4191e7, 1.4550e7, 1.4918e7, 1.5683e7, 1.6487e7,
     1.6905e7, 1.7332e7, 1.9640e7])
+GROUP_STRUCTURES['SCALE-252'] = np.array([
+    0., 1.e-4, 5.e-4, 7.5e-4, 1.e-3, 1.2e-3, 1.5e-3, 2.e-3, 2.5e-3, 3.e-3,
+    4.e-3, 5.e-3, 7.5e-3, 1.e-2, 2.53e-2, 3.e-2, 4.e-2, 5.e-2, 6.e-2, 7.e-2,
+    8.e-2, 9.e-2, 1.e-1, 1.25e-1, 1.5e-1, 1.75e-1, 2.e-1, 2.25e-1, 2.5e-1,
+    2.75e-1, 3.e-1, 3.25e-1, 3.5e-1, 3.75e-1, 4.e-1, 4.5e-1, 5.e-1, 5.5e-1,
+    6.e-1, 6.25e-1, 6.5e-1, 7.e-1, 7.5e-1, 8.e-1, 8.5e-1, 9.e-1, 9.25e-1,
+    9.5e-1, 9.75e-1, 1., 1.01, 1.02, 1.03, 1.04, 1.05, 1.06, 1.07, 1.08, 1.09,
+    1.1, 1.11, 1.12, 1.13, 1.14, 1.15, 1.175, 1.2, 1.225, 1.25, 1.3, 1.35, 1.4,
+    1.45, 1.5, 1.59, 1.68, 1.77, 1.86, 1.94, 2., 2.12, 2.21, 2.3, 2.38, 2.47,
+    2.57, 2.67, 2.77, 2.87, 2.97, 3., 3.1, 3.2, 3.5, 3.73, 4.1, 4.7, 5., 5.4,
+    6., 6.25, 6.5, 6.75, 6.875, 7., 7.15, 8.1, 9.1, 1.e+1, 1.15e+1, 1.19e+1,
+    1.29e+1, 1.44e+1, 1.6e+1, 1.7e+1, 1.85e+1, 1.94e+1, 2.e+1, 2.05e+1,
+    2.12e+1, 2.175e+1, 2.25e+1, 2.5e+1, 2.75e+1, 3.e+1, 3.125e+1, 3.175e+1,
+    3.325e+1, 3.375e+1, 3.5e+1, 3.55e+1, 3.6e+1, 3.7e+1, 3.713e+1, 3.727e+1,
+    3.763e+1, 3.8e+1, 3.91e+1, 3.96e+1, 4.1e+1, 4.24e+1, 4.4e+1, 4.52e+1,
+    4.83e+1, 5.06e+1, 5.34e+1, 5.8e+1, 6.1e+1, 6.3e+1, 6.5e+1, 6.75e+1, 7.2e+1,
+    7.6e+1, 8.e+1, 8.17e+1, 9.e+1, 9.7e+1, 1.012e+2, 1.05e+2, 1.08e+2, 1.13e+2,
+    1.16e+2, 1.175e+2, 1.19e+2, 1.22e+2, 1.43e+2, 1.7e+2, 1.8e+2, 1.877e+2,
+    1.885e+2, 1.915e+2, 1.93e+2, 2.02e+2, 2.074e+2, 2.095e+2, 2.2e+2, 2.4e+2,
+    2.85e+2, 3.05e+2, 5.5e+2, 6.7e+2, 6.83e+2, 9.5e+2, 1.15e+3, 1.5e+3,
+    1.55e+3, 1.8e+3, 2.2e+3, 2.25e+3, 2.5e+3, 3.e+3, 3.74e+3, 3.9e+3, 5.7e+3,
+    8.03e+3, 9.5e+3, 1.3e+4, 1.7e+4, 2.e+4, 3.e+4, 4.5e+4, 5.e+4, 5.2e+4,
+    6.e+4, 7.3e+4, 7.5e+4, 8.2e+4, 8.5e+4, 1.e+5, 1.283e+5, 1.49e+5, 2.e+5,
+    2.7e+5, 3.3e+5, 4.e+5, 4.2e+5, 4.4e+5, 4.7e+5, 4.92e+5, 5.5e+5, 5.73e+5,
+    6.e+5, 6.7e+5, 6.79e+5, 7.5e+5, 8.2e+5, 8.611e+5, 8.75e+5, 9.e+5, 9.2e+5,
+    1.01e+6, 1.1e+6, 1.2e+6, 1.25e+6, 1.317e+6, 1.356e+6, 1.4e+6, 1.5e+6,
+    1.85e+6, 2.354e+6, 2.479e+6, 3.e+6, 4.304e+6, 4.8e+6, 6.434e+6, 8.187e+6,
+    1.e+7, 1.284e+7, 1.384e+7, 1.455e+7, 1.568e+7, 1.733e+7, 2.e+7])
 GROUP_STRUCTURES['TRIPOLI-315'] = np.array([
     1.0e-5, 1.1e-4, 3.000e-3, 5.500e-3, 1.000e-2, 1.500e-2, 2.000e-2, 3.000e-2,
     3.200e-2, 3.238e-2, 4.300e-2, 5.900e-2, 7.700e-2, 9.500e-2, 1.000e-1,

From 557880aefcbe7378cea0035de0387d6fdd3592ca Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Sat, 5 Aug 2023 21:16:42 +0100
Subject: [PATCH 1906/2654] Allowing CylindricalMesh and SphericalMesh to be
 fully made via constructor+ type hints (#2619)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/mesh.py                                | 176 +++++++++++-------
 openmc/stats/multivariate.py                  |  57 ++++--
 openmc/stats/univariate.py                    |  76 +++++---
 openmc/trigger.py                             |   4 +-
 openmc/weight_windows.py                      |  18 +-
 tests/regression_tests/filter_mesh/test.py    |  19 +-
 tests/unit_tests/mesh_to_vtk/test.py          |  22 ++-
 tests/unit_tests/mesh_to_vtk/test_vtk_dims.py |  45 ++---
 tests/unit_tests/test_cylindrical_mesh.py     |  19 +-
 tests/unit_tests/test_filter_mesh.py          |  52 +++---
 tests/unit_tests/test_mesh.py                 |  62 +++++-
 tests/unit_tests/test_mesh_from_domain.py     |   8 +-
 tests/unit_tests/test_spherical_mesh.py       |  13 +-
 13 files changed, 365 insertions(+), 206 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 8e9d3fadb..a878d4f71 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -1,19 +1,20 @@
+import typing
+import warnings
 from abc import ABC, abstractmethod
 from collections.abc import Iterable
 from math import pi
-from numbers import Real, Integral
+from numbers import Integral, Real
 from pathlib import Path
-import typing
-import warnings
-import lxml.etree as ET
+from typing import Optional, Sequence, Tuple
 
 import h5py
+import lxml.etree as ET
 import numpy as np
 
-import openmc.checkvalue as cv
 import openmc
-from ._xml import get_text
+import openmc.checkvalue as cv
 from openmc.checkvalue import PathLike
+from ._xml import get_text
 from .mixin import IDManagerMixin
 from .surface import _BOUNDARY_TYPES
 
@@ -40,7 +41,7 @@ class MeshBase(IDManagerMixin, ABC):
     next_id = 1
     used_ids = set()
 
-    def __init__(self, mesh_id: typing.Optional[int] = None, name: str = ''):
+    def __init__(self, mesh_id: Optional[int] = None, name: str = ''):
         # Initialize Mesh class attributes
         self.id = mesh_id
         self.name = name
@@ -264,7 +265,7 @@ class StructuredMesh(MeshBase):
 
     def write_data_to_vtk(self,
                           filename: PathLike,
-                          datasets: typing.Optional[dict] = None,
+                          datasets: Optional[dict] = None,
                           volume_normalization: bool = True,
                           curvilinear: bool = False):
         """Creates a VTK object of the mesh
@@ -512,7 +513,7 @@ class RegularMesh(StructuredMesh):
 
     """
 
-    def __init__(self, mesh_id: typing.Optional[int] = None, name: str = ''):
+    def __init__(self, mesh_id: Optional[int] = None, name: str = ''):
         super().__init__(mesh_id, name)
 
         self._dimension = None
@@ -597,7 +598,7 @@ class RegularMesh(StructuredMesh):
 
     @property
     def cartesian_vertices(self):
-        """Returns vertices in cartesian coordiantes. Identical to ``vertices`` for RegularMesh and RectilinearMesh
+        """Returns vertices in cartesian coordinates. Identical to ``vertices`` for RegularMesh and RectilinearMesh
         """
         return self.vertices
 
@@ -697,7 +698,7 @@ class RegularMesh(StructuredMesh):
         cls,
         lattice: 'openmc.RectLattice',
         division: int = 1,
-        mesh_id: typing.Optional[int] = None,
+        mesh_id: Optional[int] = None,
         name: str = ''
     ):
         """Create mesh from an existing rectangular lattice
@@ -725,7 +726,7 @@ class RegularMesh(StructuredMesh):
         shape = np.array(lattice.shape)
         width = lattice.pitch*shape
 
-        mesh = cls(mesh_id, name)
+        mesh = cls(mesh_id=mesh_id, name=name)
         mesh.lower_left = lattice.lower_left
         mesh.upper_right = lattice.lower_left + width
         mesh.dimension = shape*division
@@ -736,8 +737,8 @@ class RegularMesh(StructuredMesh):
     def from_domain(
         cls,
         domain: typing.Union['openmc.Cell', 'openmc.Region', 'openmc.Universe', 'openmc.Geometry'],
-        dimension: typing.Sequence[int] = (10, 10, 10),
-        mesh_id: typing.Optional[int] = None,
+        dimension: Sequence[int] = (10, 10, 10),
+        mesh_id: Optional[int] = None,
         name: str = ''
     ):
         """Create mesh from an existing openmc cell, region, universe or
@@ -748,7 +749,7 @@ class RegularMesh(StructuredMesh):
         domain : {openmc.Cell, openmc.Region, openmc.Universe, openmc.Geometry}
             The object passed in will be used as a template for this mesh. The
             bounding box of the property of the object passed will be used to
-            set the lower_left and upper_right of the mesh instance
+            set the lower_left and upper_right and of the mesh instance
         dimension : Iterable of int
             The number of mesh cells in each direction (x, y, z).
         mesh_id : int
@@ -768,7 +769,7 @@ class RegularMesh(StructuredMesh):
             (openmc.Cell, openmc.Region, openmc.Universe, openmc.Geometry),
         )
 
-        mesh = cls(mesh_id, name)
+        mesh = cls(mesh_id=mesh_id, name=name)
         mesh.lower_left = domain.bounding_box[0]
         mesh.upper_right = domain.bounding_box[1]
         mesh.dimension = dimension
@@ -820,7 +821,7 @@ class RegularMesh(StructuredMesh):
 
         """
         mesh_id = int(get_text(elem, 'id'))
-        mesh = cls(mesh_id)
+        mesh = cls(mesh_id=mesh_id)
 
         mesh_type = get_text(elem, 'type')
         if mesh_type is not None:
@@ -844,7 +845,7 @@ class RegularMesh(StructuredMesh):
 
         return mesh
 
-    def build_cells(self, bc: typing.Optional[str] = None):
+    def build_cells(self, bc: Optional[str] = None):
         """Generates a lattice of universes with the same dimensionality
         as the mesh object.  The individual cells/universes produced
         will not have material definitions applied and so downstream code
@@ -1119,7 +1120,7 @@ class RectilinearMesh(StructuredMesh):
         mesh_id = int(group.name.split('/')[-1].lstrip('mesh '))
 
         # Read and assign mesh properties
-        mesh = cls(mesh_id)
+        mesh = cls(mesh_id=mesh_id)
         mesh.x_grid = group['x_grid'][()]
         mesh.y_grid = group['y_grid'][()]
         mesh.z_grid = group['z_grid'][()]
@@ -1141,8 +1142,8 @@ class RectilinearMesh(StructuredMesh):
             Rectilinear mesh object
 
         """
-        id = int(get_text(elem, 'id'))
-        mesh = cls(id)
+        mesh_id = int(get_text(elem, 'id'))
+        mesh = cls(mesh_id=mesh_id)
         mesh.x_grid = [float(x) for x in get_text(elem, 'x_grid').split()]
         mesh.y_grid = [float(y) for y in get_text(elem, 'y_grid').split()]
         mesh.z_grid = [float(z) for z in get_text(elem, 'z_grid').split()]
@@ -1180,6 +1181,17 @@ class CylindricalMesh(StructuredMesh):
 
     Parameters
     ----------
+    r_grid : numpy.ndarray
+        1-D array of mesh boundary points along the r-axis.
+        Requirement is r >= 0.
+    z_grid : numpy.ndarray
+        1-D array of mesh boundary points along the z-axis.
+    phi_grid : numpy.ndarray
+        1-D array of mesh boundary points along the phi-axis in radians.
+        The default value is [0, 2π], i.e. the full phi range.
+    origin : numpy.ndarray
+        1-D array of length 3 the (x,y,z) origin of the mesh in
+        cartesian coordinates
     mesh_id : int
         Unique identifier for the mesh
     name : str
@@ -1213,13 +1225,21 @@ class CylindricalMesh(StructuredMesh):
 
     """
 
-    def __init__(self, mesh_id: int = None, name: str = ''):
+    def __init__(
+        self,
+        r_grid: Sequence[float],
+        z_grid: Sequence[float],
+        phi_grid: Sequence[float] = (0, 2*pi),
+        origin: Sequence[float] = (0., 0., 0.),
+        mesh_id: Optional[int] = None,
+        name: str = '',
+    ):
         super().__init__(mesh_id, name)
 
-        self._r_grid = None
-        self._phi_grid = [0.0, 2*pi]
-        self._z_grid = None
-        self.origin = (0., 0., 0.)
+        self._r_grid = r_grid
+        self._phi_grid = phi_grid
+        self._z_grid = z_grid
+        self.origin = origin
 
     @property
     def dimension(self):
@@ -1309,10 +1329,12 @@ class CylindricalMesh(StructuredMesh):
         mesh_id = int(group.name.split('/')[-1].lstrip('mesh '))
 
         # Read and assign mesh properties
-        mesh = cls(mesh_id)
-        mesh.r_grid = group['r_grid'][()]
-        mesh.phi_grid = group['phi_grid'][()]
-        mesh.z_grid = group['z_grid'][()]
+        mesh = cls(
+            mesh_id=mesh_id,
+            r_grid = group['r_grid'][()],
+            phi_grid = group['phi_grid'][()],
+            z_grid = group['z_grid'][()],
+        )
         if 'origin' in group:
             mesh.origin = group['origin'][()]
 
@@ -1322,10 +1344,10 @@ class CylindricalMesh(StructuredMesh):
     def from_domain(
         cls,
         domain: typing.Union['openmc.Cell', 'openmc.Region', 'openmc.Universe', 'openmc.Geometry'],
-        dimension: typing.Sequence[int] = (10, 10, 10),
-        mesh_id: typing.Optional[int] = None,
-        phi_grid_bounds: typing.Sequence[float] = (0.0, 2*pi),
-        name=''
+        dimension: Sequence[int] = (10, 10, 10),
+        mesh_id: Optional[int] = None,
+        phi_grid_bounds: Sequence[float] = (0.0, 2*pi),
+        name: str = ''
     ):
         """Creates a regular CylindricalMesh from an existing openmc domain.
 
@@ -1358,7 +1380,6 @@ class CylindricalMesh(StructuredMesh):
             (openmc.Cell, openmc.Region, openmc.Universe, openmc.Geometry),
         )
 
-        mesh = cls(mesh_id, name)
 
         # loaded once to avoid reading h5m file repeatedly
         cached_bb = domain.bounding_box
@@ -1370,21 +1391,24 @@ class CylindricalMesh(StructuredMesh):
                 cached_bb[1][1],
             ]
         )
-        mesh.r_grid = np.linspace(
+        r_grid = np.linspace(
             0,
             max_bounding_box_radius,
             num=dimension[0]+1
         )
-        mesh.phi_grid = np.linspace(
+        phi_grid = np.linspace(
             phi_grid_bounds[0],
             phi_grid_bounds[1],
             num=dimension[1]+1
         )
-        mesh.z_grid = np.linspace(
+        z_grid = np.linspace(
             cached_bb[0][2],
             cached_bb[1][2],
             num=dimension[2]+1
         )
+        mesh = cls(
+            r_grid=r_grid, z_grid=z_grid, phi_grid=phi_grid, mesh_id=mesh_id, name=name
+        )
 
         return mesh
 
@@ -1433,11 +1457,13 @@ class CylindricalMesh(StructuredMesh):
         """
 
         mesh_id = int(get_text(elem, 'id'))
-        mesh = cls(mesh_id)
-        mesh.r_grid = [float(x) for x in get_text(elem, "r_grid").split()]
-        mesh.phi_grid = [float(x) for x in get_text(elem, "phi_grid").split()]
-        mesh.z_grid = [float(x) for x in get_text(elem, "z_grid").split()]
-        mesh.origin = [float(x) for x in get_text(elem, "origin", default=[0., 0., 0.]).split()]
+        mesh = cls(
+            r_grid = [float(x) for x in get_text(elem, "r_grid").split()],
+            phi_grid = [float(x) for x in get_text(elem, "phi_grid").split()],
+            z_grid = [float(x) for x in get_text(elem, "z_grid").split()],
+            origin = [float(x) for x in get_text(elem, "origin", default=[0., 0., 0.]).split()],
+            mesh_id=mesh_id,
+        )
 
         return mesh
 
@@ -1463,7 +1489,7 @@ class CylindricalMesh(StructuredMesh):
         return self._convert_to_cartesian(self.vertices, self.origin)
 
     @staticmethod
-    def _convert_to_cartesian(arr, origin: typing.Sequence[float]):
+    def _convert_to_cartesian(arr, origin: Sequence[float]):
         """Converts an array with xyz values in the first dimension (shape (3, ...))
         to Cartesian coordinates.
         """
@@ -1480,6 +1506,18 @@ class SphericalMesh(StructuredMesh):
 
     Parameters
     ----------
+    r_grid : numpy.ndarray
+        1-D array of mesh boundary points along the r-axis.
+        Requirement is r >= 0.
+    phi_grid : numpy.ndarray
+        1-D array of mesh boundary points along the phi-axis in radians.
+        The default value is [0, 2π], i.e. the full phi range.
+    theta_grid : numpy.ndarray
+        1-D array of mesh boundary points along the theta-axis in radians.
+        The default value is [0, π], i.e. the full theta range.
+    origin : numpy.ndarray
+        1-D array of length 3 the (x,y,z) origin of the mesh in
+        cartesian coordinates
     mesh_id : int
         Unique identifier for the mesh
     name : str
@@ -1514,13 +1552,21 @@ class SphericalMesh(StructuredMesh):
 
     """
 
-    def __init__(self, mesh_id=None, name=''):
+    def __init__(
+        self,
+        r_grid: Sequence[float],
+        phi_grid: Sequence[float] = (0, 2*pi),
+        theta_grid: Sequence[float] = (0, pi),
+        origin: Sequence[float] = (0., 0., 0.),
+        mesh_id: Optional[int] = None,
+        name: str = '',
+    ):
         super().__init__(mesh_id, name)
 
-        self._r_grid = None
-        self._theta_grid = [0, pi]
-        self._phi_grid = [0, 2*pi]
-        self.origin = (0., 0., 0.)
+        self._r_grid = r_grid
+        self._theta_grid = theta_grid
+        self._phi_grid = phi_grid
+        self.origin = origin
 
     @property
     def dimension(self):
@@ -1610,10 +1656,12 @@ class SphericalMesh(StructuredMesh):
         mesh_id = int(group.name.split('/')[-1].lstrip('mesh '))
 
         # Read and assign mesh properties
-        mesh = cls(mesh_id)
-        mesh.r_grid = group['r_grid'][()]
-        mesh.theta_grid = group['theta_grid'][()]
-        mesh.phi_grid = group['phi_grid'][()]
+        mesh = cls(
+            r_grid = group['r_grid'][()],
+            theta_grid = group['theta_grid'][()],
+            phi_grid = group['phi_grid'][()],
+            mesh_id=mesh_id,
+        )
         if 'origin' in group:
             mesh.origin = group['origin'][()]
 
@@ -1663,11 +1711,13 @@ class SphericalMesh(StructuredMesh):
 
         """
         mesh_id = int(get_text(elem, 'id'))
-        mesh = cls(mesh_id)
-        mesh.r_grid = [float(x) for x in get_text(elem, "r_grid").split()]
-        mesh.theta_grid = [float(x) for x in get_text(elem, "theta_grid").split()]
-        mesh.phi_grid = [float(x) for x in get_text(elem, "phi_grid").split()]
-        mesh.origin = [float(x) for x in get_text(elem, "origin", default=[0., 0., 0.]).split()]
+        mesh = cls(
+            mesh_id=mesh_id,
+            r_grid = [float(x) for x in get_text(elem, "r_grid").split()],
+            theta_grid = [float(x) for x in get_text(elem, "theta_grid").split()],
+            phi_grid = [float(x) for x in get_text(elem, "phi_grid").split()],
+            origin = [float(x) for x in get_text(elem, "origin", default=[0., 0., 0.]).split()],
+        )
 
         return mesh
 
@@ -1693,7 +1743,7 @@ class SphericalMesh(StructuredMesh):
         return self._convert_to_cartesian(self.vertices, self.origin)
 
     @staticmethod
-    def _convert_to_cartesian(arr, origin: typing.Sequence[float]):
+    def _convert_to_cartesian(arr, origin: Sequence[float]):
         """Converts an array with xyz values in the first dimension (shape (3, ...))
         to Cartesian coordinates.
         """
@@ -1768,7 +1818,7 @@ class UnstructuredMesh(MeshBase):
     _LINEAR_TET = 0
     _LINEAR_HEX = 1
 
-    def __init__(self, filename: PathLike, library: str, mesh_id: typing.Optional[int] = None,
+    def __init__(self, filename: PathLike, library: str, mesh_id: Optional[int] = None,
                  name: str = '', length_multiplier: float = 1.0):
         super().__init__(mesh_id, name)
         self.filename = filename
@@ -1940,8 +1990,8 @@ class UnstructuredMesh(MeshBase):
 
     def write_data_to_vtk(
             self,
-            filename: typing.Optional[PathLike] = None,
-            datasets: typing.Optional[dict] = None,
+            filename: Optional[PathLike] = None,
+            datasets: Optional[dict] = None,
             volume_normalization: bool = True
     ):
         """Map data to unstructured VTK mesh elements.
@@ -2040,7 +2090,7 @@ class UnstructuredMesh(MeshBase):
         filename = group['filename'][()].decode()
         library = group['library'][()].decode()
 
-        mesh = cls(filename, library, mesh_id=mesh_id)
+        mesh = cls(filename=filename, library=library, mesh_id=mesh_id)
         vol_data = group['volumes'][()]
         mesh.volumes = np.reshape(vol_data, (vol_data.shape[0],))
         mesh.n_elements = mesh.volumes.size
diff --git a/openmc/stats/multivariate.py b/openmc/stats/multivariate.py
index 058bee7da..09a2f8752 100644
--- a/openmc/stats/multivariate.py
+++ b/openmc/stats/multivariate.py
@@ -1,15 +1,17 @@
+from __future__ import annotations
+import typing
 from abc import ABC, abstractmethod
 from collections.abc import Iterable
-from math import pi, cos
+from math import cos, pi
 from numbers import Real
-import lxml.etree as ET
 
+import lxml.etree as ET
 import numpy as np
 
 import openmc.checkvalue as cv
 from .._xml import get_text
-from .univariate import Univariate, Uniform, PowerLaw
 from ..mesh import MeshBase
+from .univariate import PowerLaw, Uniform, Univariate
 
 
 class UnitSphere(ABC):
@@ -177,7 +179,7 @@ class Isotropic(UnitSphere):
         return element
 
     @classmethod
-    def from_xml_element(cls, elem):
+    def from_xml_element(cls, elem: ET.Element):
         """Generate isotropic distribution from an XML element
 
         Parameters
@@ -209,7 +211,7 @@ class Monodirectional(UnitSphere):
 
     """
 
-    def __init__(self, reference_uvw=[1., 0., 0.]):
+    def __init__(self, reference_uvw: typing.Sequence[float] = [1., 0., 0.]):
         super().__init__(reference_uvw)
 
     def to_xml_element(self):
@@ -228,7 +230,7 @@ class Monodirectional(UnitSphere):
         return element
 
     @classmethod
-    def from_xml_element(cls, elem):
+    def from_xml_element(cls, elem: ET.Element):
         """Generate monodirectional distribution from an XML element
 
         Parameters
@@ -304,7 +306,12 @@ class CartesianIndependent(Spatial):
 
     """
 
-    def __init__(self, x, y, z):
+    def __init__(
+        self,
+        x: openmc.stats.Univariate,
+        y: openmc.stats.Univariate,
+        z: openmc.stats.Univariate
+    ):
         self.x = x
         self.y = y
         self.z = z
@@ -353,7 +360,7 @@ class CartesianIndependent(Spatial):
         return element
 
     @classmethod
-    def from_xml_element(cls, elem):
+    def from_xml_element(cls, elem: ET.Element):
         """Generate spatial distribution from an XML element
 
         Parameters
@@ -477,7 +484,7 @@ class SphericalIndependent(Spatial):
         return element
 
     @classmethod
-    def from_xml_element(cls, elem):
+    def from_xml_element(cls, elem: ET.Element):
         """Generate spatial distribution from an XML element
 
         Parameters
@@ -599,7 +606,7 @@ class CylindricalIndependent(Spatial):
         return element
 
     @classmethod
-    def from_xml_element(cls, elem):
+    def from_xml_element(cls, elem: ET.Element):
         """Generate spatial distribution from an XML element
 
         Parameters
@@ -772,7 +779,12 @@ class Box(Spatial):
 
     """
 
-    def __init__(self, lower_left, upper_right, only_fissionable=False):
+    def __init__(
+        self,
+        lower_left: typing.Sequence[float],
+        upper_right: typing.Sequence[float],
+        only_fissionable: bool = False
+    ):
         self.lower_left = lower_left
         self.upper_right = upper_right
         self.only_fissionable = only_fissionable
@@ -826,7 +838,7 @@ class Box(Spatial):
         return element
 
     @classmethod
-    def from_xml_element(cls, elem):
+    def from_xml_element(cls, elem: ET.Element):
         """Generate box distribution from an XML element
 
         Parameters
@@ -865,7 +877,7 @@ class Point(Spatial):
 
     """
 
-    def __init__(self, xyz=(0., 0., 0.)):
+    def __init__(self, xyz: typing.Sequence[float] = (0., 0., 0.)):
         self.xyz = xyz
 
     @property
@@ -894,7 +906,7 @@ class Point(Spatial):
         return element
 
     @classmethod
-    def from_xml_element(cls, elem):
+    def from_xml_element(cls, elem: ET.Element):
         """Generate point distribution from an XML element
 
         Parameters
@@ -912,8 +924,13 @@ class Point(Spatial):
         return cls(xyz)
 
 
-def spherical_uniform(r_outer, r_inner=0.0, thetas=(0., pi), phis=(0., 2*pi),
-                      origin=(0., 0., 0.)):
+def spherical_uniform(
+        r_outer: float,
+        r_inner: float = 0.0,
+        thetas: typing.Sequence[float] = (0., pi),
+        phis: typing.Sequence[float] = (0., 2*pi),
+        origin: typing.Sequence[float] = (0., 0., 0.)
+    ):
     """Return a uniform spatial distribution over a spherical shell.
 
     This function provides a uniform spatial distribution over a spherical
@@ -926,15 +943,15 @@ def spherical_uniform(r_outer, r_inner=0.0, thetas=(0., pi), phis=(0., 2*pi),
     ----------
     r_outer : float
         Outer radius of the spherical shell in [cm]
-    r_inner : float, optional
+    r_inner : float
         Inner radius of the spherical shell in [cm]
-    thetas : iterable of float, optional
+    thetas : iterable of float
         Starting and ending theta coordinates (angle relative to
         the z-axis) in radius in a reference frame centered at `origin`
-    phis : iterable of float, optional
+    phis : iterable of float
         Starting and ending phi coordinates (azimuthal angle) in
         radians in a reference frame centered at `origin`
-    origin: iterable of float, optional
+    origin: iterable of float
         Coordinates (x0, y0, z0) of the center of the spherical
         reference frame for the distribution.
 
diff --git a/openmc/stats/univariate.py b/openmc/stats/univariate.py
index b5720e23c..ff1af2d7b 100644
--- a/openmc/stats/univariate.py
+++ b/openmc/stats/univariate.py
@@ -1,19 +1,19 @@
+import math
+import typing
 from abc import ABC, abstractmethod
 from collections import defaultdict
 from collections.abc import Iterable
 from copy import deepcopy
-import math
 from numbers import Real
 from warnings import warn
-import lxml.etree as ET
 
+import lxml.etree as ET
 import numpy as np
 
 import openmc.checkvalue as cv
 from .._xml import get_text
 from ..mixin import EqualityMixin
 
-
 _INTERPOLATION_SCHEMES = [
     'histogram',
     'linear-linear',
@@ -66,7 +66,7 @@ class Univariate(EqualityMixin, ABC):
             return Mixture.from_xml_element(elem)
 
     @abstractmethod
-    def sample(n_samples=1, seed=None):
+    def sample(n_samples: int = 1, seed: typing.Optional[int] = None):
         """Sample the univariate distribution
 
         Parameters
@@ -186,7 +186,7 @@ class Discrete(Univariate):
         return element
 
     @classmethod
-    def from_xml_element(cls, elem):
+    def from_xml_element(cls, elem: ET.Element):
         """Generate discrete distribution from an XML element
 
         Parameters
@@ -206,7 +206,11 @@ class Discrete(Univariate):
         return cls(x, p)
 
     @classmethod
-    def merge(cls, dists, probs):
+    def merge(
+        cls,
+        dists: typing.Sequence['openmc.stats.Discrete'],
+        probs: typing.Sequence[int]
+    ):
         """Merge multiple discrete distributions into a single distribution
 
         .. versionadded:: 0.13.1
@@ -271,7 +275,7 @@ class Uniform(Univariate):
 
     """
 
-    def __init__(self, a=0.0, b=1.0):
+    def __init__(self, a: float = 0.0, b: float = 1.0):
         self.a = a
         self.b = b
 
@@ -306,7 +310,7 @@ class Uniform(Univariate):
         np.random.seed(seed)
         return np.random.uniform(self.a, self.b, n_samples)
 
-    def to_xml_element(self, element_name):
+    def to_xml_element(self, element_name: str):
         """Return XML representation of the uniform distribution
 
         Parameters
@@ -326,7 +330,7 @@ class Uniform(Univariate):
         return element
 
     @classmethod
-    def from_xml_element(cls, elem):
+    def from_xml_element(cls, elem: ET.Element):
         """Generate uniform distribution from an XML element
 
         Parameters
@@ -372,7 +376,7 @@ class PowerLaw(Univariate):
 
     """
 
-    def __init__(self, a=0.0, b=1.0, n=0):
+    def __init__(self, a: float = 0.0, b: float = 1.0, n: float = 0.):
         self.a = a
         self.b = b
         self.n = n
@@ -415,7 +419,7 @@ class PowerLaw(Univariate):
         span = self.b**pwr - offset
         return np.power(offset + xi * span, 1/pwr)
 
-    def to_xml_element(self, element_name):
+    def to_xml_element(self, element_name: str):
         """Return XML representation of the power law distribution
 
         Parameters
@@ -435,7 +439,7 @@ class PowerLaw(Univariate):
         return element
 
     @classmethod
-    def from_xml_element(cls, elem):
+    def from_xml_element(cls, elem: ET.Element):
         """Generate power law distribution from an XML element
 
         Parameters
@@ -493,12 +497,12 @@ class Maxwell(Univariate):
         return self.sample_maxwell(self.theta, n_samples)
 
     @staticmethod
-    def sample_maxwell(t, n_samples):
+    def sample_maxwell(t, n_samples: int):
         r1, r2, r3 = np.random.rand(3, n_samples)
         c = np.cos(0.5 * np.pi * r3)
         return -t * (np.log(r1) + np.log(r2) * c * c)
 
-    def to_xml_element(self, element_name):
+    def to_xml_element(self, element_name: str):
         """Return XML representation of the Maxwellian distribution
 
         Parameters
@@ -518,7 +522,7 @@ class Maxwell(Univariate):
         return element
 
     @classmethod
-    def from_xml_element(cls, elem):
+    def from_xml_element(cls, elem: ET.Element):
         """Generate Maxwellian distribution from an XML element
 
         Parameters
@@ -593,7 +597,7 @@ class Watt(Univariate):
         aab = self.a * self.a * self.b
         return w + 0.25*aab + u*np.sqrt(aab*w)
 
-    def to_xml_element(self, element_name):
+    def to_xml_element(self, element_name: str):
         """Return XML representation of the Watt distribution
 
         Parameters
@@ -613,7 +617,7 @@ class Watt(Univariate):
         return element
 
     @classmethod
-    def from_xml_element(cls, elem):
+    def from_xml_element(cls, elem: ET.Element):
         """Generate Watt distribution from an XML element
 
         Parameters
@@ -683,7 +687,7 @@ class Normal(Univariate):
         np.random.seed(seed)
         return np.random.normal(self.mean_value, self.std_dev, n_samples)
 
-    def to_xml_element(self, element_name):
+    def to_xml_element(self, element_name: str):
         """Return XML representation of the Normal distribution
 
         Parameters
@@ -703,7 +707,7 @@ class Normal(Univariate):
         return element
 
     @classmethod
-    def from_xml_element(cls, elem):
+    def from_xml_element(cls, elem: ET.Element):
         """Generate Normal distribution from an XML element
 
         Parameters
@@ -721,7 +725,7 @@ class Normal(Univariate):
         return cls(*map(float, params))
 
 
-def muir(e0, m_rat, kt):
+def muir(e0: float, m_rat: float, kt: float):
     """Generate a Muir energy spectrum
 
     The Muir energy spectrum is a normal distribution, but for convenience
@@ -793,8 +797,13 @@ class Tabular(Univariate):
 
     """
 
-    def __init__(self, x, p, interpolation='linear-linear',
-                 ignore_negative=False):
+    def __init__(
+            self,
+            x: typing.Sequence[float],
+            p: typing.Sequence[float],
+            interpolation: str = 'linear-linear',
+            ignore_negative: bool = False
+        ):
         self._ignore_negative = ignore_negative
         self.x = x
         self.p = p
@@ -886,7 +895,7 @@ class Tabular(Univariate):
         """Normalize the probabilities stored on the distribution"""
         self.p /= self.cdf().max()
 
-    def sample(self, n_samples=1, seed=None):
+    def sample(self, n_samples: int = 1, seed: typing.Optional[int] = None):
         np.random.seed(seed)
         xi = np.random.rand(n_samples)
 
@@ -947,7 +956,7 @@ class Tabular(Univariate):
         assert all(samples_out < self.x[-1])
         return samples_out
 
-    def to_xml_element(self, element_name):
+    def to_xml_element(self, element_name: str):
         """Return XML representation of the tabular distribution
 
         Parameters
@@ -971,7 +980,7 @@ class Tabular(Univariate):
         return element
 
     @classmethod
-    def from_xml_element(cls, elem):
+    def from_xml_element(cls, elem: ET.Element):
         """Generate tabular distribution from an XML element
 
         Parameters
@@ -1028,7 +1037,7 @@ class Legendre(Univariate):
 
     """
 
-    def __init__(self, coefficients):
+    def __init__(self, coefficients: typing.Sequence[float]):
         self.coefficients = coefficients
         self._legendre_poly = None
 
@@ -1082,7 +1091,11 @@ class Mixture(Univariate):
 
     """
 
-    def __init__(self, probability, distribution):
+    def __init__(
+        self,
+        probability: typing.Sequence[float],
+        distribution: typing.Sequence['openmc.Univariate']
+    ):
         self.probability = probability
         self.distribution = distribution
 
@@ -1140,7 +1153,7 @@ class Mixture(Univariate):
         norm = sum(self.probability)
         self.probability = [val / norm for val in self.probability]
 
-    def to_xml_element(self, element_name):
+    def to_xml_element(self, element_name: str):
         """Return XML representation of the mixture distribution
 
         .. versionadded:: 0.13.0
@@ -1167,7 +1180,7 @@ class Mixture(Univariate):
         return element
 
     @classmethod
-    def from_xml_element(cls, elem):
+    def from_xml_element(cls, elem: ET.Element):
         """Generate mixture distribution from an XML element
 
         .. versionadded:: 0.13.0
@@ -1207,7 +1220,10 @@ class Mixture(Univariate):
         ])
 
 
-def combine_distributions(dists, probs):
+def combine_distributions(
+    dists: typing.Sequence['openmc.Univariate'],
+    probs: typing.Sequence[float]
+):
     """Combine distributions with specified probabilities
 
     This function can be used to combine multiple instances of
diff --git a/openmc/trigger.py b/openmc/trigger.py
index 86d17dfef..8a165526c 100644
--- a/openmc/trigger.py
+++ b/openmc/trigger.py
@@ -29,7 +29,7 @@ class Trigger(EqualityMixin):
 
     """
 
-    def __init__(self, trigger_type, threshold):
+    def __init__(self, trigger_type: str, threshold: float):
         self.trigger_type = trigger_type
         self.threshold = threshold
         self._scores = []
@@ -92,7 +92,7 @@ class Trigger(EqualityMixin):
         return element
 
     @classmethod
-    def from_xml_element(cls, elem):
+    def from_xml_element(cls, elem: ET.Element):
         """Generate trigger object from an XML element
 
         Parameters
diff --git a/openmc/weight_windows.py b/openmc/weight_windows.py
index 6caa87e43..6ea71fa1c 100644
--- a/openmc/weight_windows.py
+++ b/openmc/weight_windows.py
@@ -589,13 +589,19 @@ def wwinp_to_wws(path: PathLike) -> List[WeightWindows]:
         mesh = RectilinearMesh()
         mesh.x_grid, mesh.y_grid, mesh.z_grid = grids
     elif nwg == 2:
-        mesh = CylindricalMesh()
-        mesh.r_grid, mesh.z_grid, mesh.phi_grid = grids
-        mesh.origin = xyz0
+        mesh = CylindricalMesh(
+            r_grid=grids[0],
+            z_grid=grids[1],
+            phi_grid=grids[2],
+            origin = xyz0,
+        )
     elif nwg == 3:
-        mesh = SphericalMesh()
-        mesh.r_grid, mesh.theta_grid, mesh.phi_grid = grids
-        mesh.origin = xyz0
+        mesh = SphericalMesh(
+            r_grid=grids[0],
+            theta_grid=grids[1],
+            phi_grid=grids[2],
+            origin = xyz0
+        )
 
     # extract weight window values from array
     wws = []
diff --git a/tests/regression_tests/filter_mesh/test.py b/tests/regression_tests/filter_mesh/test.py
index b047dd252..62f0ed015 100644
--- a/tests/regression_tests/filter_mesh/test.py
+++ b/tests/regression_tests/filter_mesh/test.py
@@ -60,11 +60,11 @@ def model():
     recti_mesh_exp_vols = np.multiply.outer(dxdy, dz)
     np.testing.assert_allclose(recti_mesh.volumes, recti_mesh_exp_vols)
 
-    cyl_mesh = openmc.CylindricalMesh()
-    cyl_mesh.r_grid = np.linspace(0, 7.5, 18)
-    cyl_mesh.phi_grid = np.linspace(0, 2*pi, 19)
-    cyl_mesh.z_grid = np.linspace(-7.5, 7.5, 17)
-
+    cyl_mesh = openmc.CylindricalMesh(
+        r_grid=np.linspace(0, 7.5, 18),
+        phi_grid=np.linspace(0, 2*pi, 19),
+        z_grid=np.linspace(-7.5, 7.5, 17),
+    )
     dr = 0.5 * np.diff(np.linspace(0, 7.5, 18)**2)
     dp = np.full(cyl_mesh.dimension[1], 2*pi / 18)
     dz = np.full(cyl_mesh.dimension[2], 15 / 16)
@@ -72,10 +72,11 @@ def model():
     cyl_mesh_exp_vols = np.multiply.outer(drdp, dz)
     np.testing.assert_allclose(cyl_mesh.volumes, cyl_mesh_exp_vols)
 
-    sph_mesh = openmc.SphericalMesh()
-    sph_mesh.r_grid = np.linspace(0, 7.5, 18)
-    sph_mesh.theta_grid = np.linspace(0, pi, 9)
-    sph_mesh.phi_grid = np.linspace(0, 2*pi, 19)
+    sph_mesh = openmc.SphericalMesh(
+        r_grid=np.linspace(0, 7.5, 18),
+        theta_grid=np.linspace(0, pi, 9),
+        phi_grid=np.linspace(0, 2*pi, 19)
+    )
     dr = np.diff(np.linspace(0, 7.5, 18)**3) / 3
     dt = np.diff(-np.cos(np.linspace(0, pi, 9)))
     dp = np.full(sph_mesh.dimension[2], 2*pi / 18)
diff --git a/tests/unit_tests/mesh_to_vtk/test.py b/tests/unit_tests/mesh_to_vtk/test.py
index 36928676c..3ee6c0298 100644
--- a/tests/unit_tests/mesh_to_vtk/test.py
+++ b/tests/unit_tests/mesh_to_vtk/test.py
@@ -32,17 +32,19 @@ rect_mesh.x_grid = np.linspace(0, 10, 5)
 rect_mesh.y_grid = np.geomspace(5., 20., 10)
 rect_mesh.z_grid = np.linspace(1, 100, 20)
 
-cyl_mesh = openmc.CylindricalMesh()
-cyl_mesh.origin = (10, 10, -10)
-cyl_mesh.r_grid = np.linspace(0, 5, 5)
-cyl_mesh.phi_grid = np.linspace(0, 2 * np.pi, 4)
-cyl_mesh.z_grid = np.linspace(0, 2, 4)
+cyl_mesh = openmc.CylindricalMesh(
+    origin=(10, 10, -10),
+    r_grid=np.linspace(0, 5, 5),
+    phi_grid=np.linspace(0, 2 * np.pi, 4),
+    z_grid=np.linspace(0, 2, 4),
+)
 
-sphere_mesh = openmc.SphericalMesh()
-sphere_mesh.origin = (10, 10, -10)
-sphere_mesh.r_grid = np.linspace(0, 5, 3)
-sphere_mesh.theta_grid = np.linspace(0, 0.5 * np.pi, 4)
-sphere_mesh.phi_grid = np.linspace(0, 2*np.pi, 8)
+sphere_mesh = openmc.SphericalMesh(
+    origin=(10, 10, -10),
+    r_grid=np.linspace(0, 5, 3),
+    theta_grid=np.linspace(0, 0.5 * np.pi, 4),
+    phi_grid=np.linspace(0, 2*np.pi, 8),
+)
 
 
 def mesh_data(mesh_dims):
diff --git a/tests/unit_tests/mesh_to_vtk/test_vtk_dims.py b/tests/unit_tests/mesh_to_vtk/test_vtk_dims.py
index 4f23ef859..baa544984 100644
--- a/tests/unit_tests/mesh_to_vtk/test_vtk_dims.py
+++ b/tests/unit_tests/mesh_to_vtk/test_vtk_dims.py
@@ -49,15 +49,17 @@ rectilinear_mesh.y_grid = \
     np.concatenate((-rectilinear_mesh.y_grid[::-1], rectilinear_mesh.y_grid))
 rectilinear_mesh.z_grid = np.linspace(-10, 10, 11)
 
-cylinder_mesh = openmc.CylindricalMesh()
-cylinder_mesh.r_grid = np.linspace(0, 10, 23)
+cylinder_mesh = openmc.CylindricalMesh(
+    r_grid=np.linspace(0, 10, 23),
+    z_grid=np.linspace(0, 1, 15)
+)
 cylinder_mesh.phi_grid = np.linspace(0, np.pi, 21)
-cylinder_mesh.z_grid = np.linspace(0, 1, 15)
 
-spherical_mesh = openmc.SphericalMesh()
-spherical_mesh.r_grid = np.linspace(1, 10, 30)
-spherical_mesh.phi_grid = np.linspace(0, 0.8*np.pi, 25)
-spherical_mesh.theta_grid = np.linspace(0, np.pi / 2, 15)
+spherical_mesh = openmc.SphericalMesh(
+    r_grid=np.linspace(1, 10, 30),
+    phi_grid=np.linspace(0, 0.8*np.pi, 25),
+    theta_grid=np.linspace(0, np.pi / 2, 15),
+)
 
 MESHES = [cylinder_mesh, regular_mesh, rectilinear_mesh, spherical_mesh]
 
@@ -143,16 +145,17 @@ def test_write_data_to_vtk_size_mismatch(mesh):
         mesh.write_data_to_vtk(filename="out.vtk", datasets={"label": data})
 
 def test_write_data_to_vtk_round_trip(run_in_tmpdir):
-    cmesh = openmc.CylindricalMesh()
-    cmesh.r_grid = (0.0, 1.0, 2.0)
-    cmesh.z_grid = (0.0, 2.0, 4.0, 5.0)
-    cmesh.phi_grid = (0.0, 3.0, 6.0)
-
-    smesh = openmc.SphericalMesh()
-    smesh.r_grid = (0.0, 1.0, 2.0)
-    smesh.theta_grid = (0.0, 2.0, 4.0, 5.0)
-    smesh.phi_grid = (0.0, 3.0, 6.0)
+    cmesh = openmc.CylindricalMesh(
+        r_grid=(0.0, 1.0, 2.0),
+        z_grid=(0.0, 2.0, 4.0, 5.0),
+        phi_grid=(0.0, 3.0, 6.0),
+    )
 
+    smesh = openmc.SphericalMesh(
+        r_grid=(0.0, 1.0, 2.0),
+        theta_grid=(0.0, 2.0, 4.0, 5.0),
+        phi_grid=(0.0, 3.0, 6.0),
+    )
     rmesh = openmc.RegularMesh()
     rmesh.lower_left = (0.0, 0.0, 0.0)
     rmesh.upper_right = (1.0, 3.0, 5.0)
@@ -276,11 +279,11 @@ def test_vtk_write_ordering(run_in_tmpdir, model, mesh, surface):
 
 
 def test_sphere_mesh_coordinates(run_in_tmpdir):
-    mesh = openmc.SphericalMesh()
-    mesh.r_grid = np.linspace(0.1, 10, 30)
-    mesh.phi_grid = np.linspace(0, 1.5*np.pi, 25)
-    mesh.theta_grid = np.linspace(0, np.pi / 2, 15)
-
+    mesh = openmc.SphericalMesh(
+        r_grid=np.linspace(0.1, 10, 30),
+        phi_grid=np.linspace(0, 1.5*np.pi, 25),
+        theta_grid=np.linspace(0, np.pi / 2, 15),
+    )
     # write the data to a VTK file (no data)
     vtk_filename = 'test.vtk'
     mesh.write_data_to_vtk(vtk_filename, {})
diff --git a/tests/unit_tests/test_cylindrical_mesh.py b/tests/unit_tests/test_cylindrical_mesh.py
index 22b6ed816..df0c5d2bb 100644
--- a/tests/unit_tests/test_cylindrical_mesh.py
+++ b/tests/unit_tests/test_cylindrical_mesh.py
@@ -33,11 +33,11 @@ def model():
     settings.run_mode = 'fixed source'
 
     # build
-    mesh = openmc.CylindricalMesh()
-    mesh.phi_grid = np.linspace(0, 2*np.pi, 21)
-    mesh.z_grid = np.linspace(-geom_size, geom_size, 11)
-    mesh.r_grid = np.linspace(0, geom_size, geom_size)
-
+    mesh = openmc.CylindricalMesh(
+        phi_grid=np.linspace(0, 2*np.pi, 21),
+        z_grid=np.linspace(-geom_size, geom_size, 11),
+        r_grid=np.linspace(0, geom_size, geom_size)
+    )
     tally = openmc.Tally()
 
     mesh_filter = openmc.MeshFilter(mesh)
@@ -127,10 +127,11 @@ def void_coincident_geom_model():
     settings.particles = 1000
     model.settings = settings
 
-    mesh = openmc.CylindricalMesh()
-    mesh.r_grid = np.linspace(0, 250, 501)
-    mesh.z_grid = [-250, 250]
-    mesh.phi_grid = np.linspace(0, 2*np.pi, 2)
+    mesh = openmc.CylindricalMesh(
+        r_grid=np.linspace(0, 250, 501),
+        z_grid=[-250, 250],
+        phi_grid=np.linspace(0, 2*np.pi, 2),
+    )
     mesh_filter = openmc.MeshFilter(mesh)
 
     tally = openmc.Tally()
diff --git a/tests/unit_tests/test_filter_mesh.py b/tests/unit_tests/test_filter_mesh.py
index c93bfa037..36beed25d 100644
--- a/tests/unit_tests/test_filter_mesh.py
+++ b/tests/unit_tests/test_filter_mesh.py
@@ -22,15 +22,17 @@ def test_spherical_mesh_estimators(run_in_tmpdir):
     model.settings.inactive = 10
     model.settings.batches = 20
 
-    sph_mesh = openmc.SphericalMesh()
-    sph_mesh.r_grid = np.linspace(0.0, 5.0**3, 20)**(1/3)
+    sph_mesh = openmc.SphericalMesh(
+        r_grid=np.linspace(0.0, 5.0**3, 20)**(1/3)
+    )
     tally1 = openmc.Tally()
     tally1.filters = [openmc.MeshFilter(sph_mesh)]
     tally1.scores = ['flux']
     tally1.estimator = 'collision'
 
-    sph_mesh = openmc.SphericalMesh()
-    sph_mesh.r_grid = np.linspace(0.0, 5.0**3, 20)**(1/3)
+    sph_mesh = openmc.SphericalMesh(
+        r_grid=np.linspace(0.0, 5.0**3, 20)**(1/3)
+    )
     tally2 = openmc.Tally()
     tally2.filters = [openmc.MeshFilter(sph_mesh)]
     tally2.scores = ['flux']
@@ -75,17 +77,19 @@ def test_cylindrical_mesh_estimators(run_in_tmpdir):
     model.settings.inactive = 10
     model.settings.batches = 20
 
-    cyl_mesh = openmc.CylindricalMesh()
-    cyl_mesh.r_grid = np.linspace(0.0, 5.0**3, 20)**(1/3)
-    cyl_mesh.z_grid = [-5., 5.]
+    cyl_mesh = openmc.CylindricalMesh(
+        r_grid=np.linspace(0.0, 5.0**3, 20)**(1/3),
+        z_grid=[-5., 5.]
+    )
     tally1 = openmc.Tally()
     tally1.filters = [openmc.MeshFilter(cyl_mesh)]
     tally1.scores = ['flux']
     tally1.estimator = 'collision'
 
-    cyl_mesh = openmc.CylindricalMesh()
-    cyl_mesh.r_grid = np.linspace(0.0, 5.0**3, 20)**(1/3)
-    cyl_mesh.z_grid = [-5., 5.]
+    cyl_mesh = openmc.CylindricalMesh(
+        r_grid=np.linspace(0.0, 5.0**3, 20)**(1/3),
+        z_grid=[-5., 5.]
+    )
     tally2 = openmc.Tally()
     tally2.filters = [openmc.MeshFilter(cyl_mesh)]
     tally2.scores = ['flux']
@@ -133,10 +137,11 @@ def test_cylindrical_mesh_coincident(scale, run_in_tmpdir):
     model.settings.batches = 10
     model.settings.inactive = 0
 
-    cyl_mesh = openmc.CylindricalMesh()
-    cyl_mesh.r_grid = [0., 1.25*scale]
-    cyl_mesh.phi_grid = [0., 2*math.pi]
-    cyl_mesh.z_grid = [-1e10, 1e10]
+    cyl_mesh = openmc.CylindricalMesh(
+        r_grid=[0., 1.25*scale],
+        phi_grid=[0., 2*math.pi],
+        z_grid=[-1e10, 1e10]
+    )
     cyl_mesh_filter = openmc.MeshFilter(cyl_mesh)
     cell_filter = openmc.CellFilter([cell1])
 
@@ -183,10 +188,12 @@ def test_spherical_mesh_coincident(scale, run_in_tmpdir):
     model.settings.batches = 10
     model.settings.inactive = 0
 
-    sph_mesh = openmc.SphericalMesh()
-    sph_mesh.r_grid = [0., 1.25*scale]
-    sph_mesh.phi_grid = [0., 2*math.pi]
-    sph_mesh.theta_grid = [0., math.pi]
+    sph_mesh = openmc.SphericalMesh(
+        r_grid=[0., 1.25*scale],
+        phi_grid=[0., 2*math.pi],
+        theta_grid=[0., math.pi],
+    )
+        
     sph_mesh_filter = openmc.MeshFilter(sph_mesh)
     cell_filter = openmc.CellFilter([cell1])
 
@@ -227,10 +234,11 @@ def test_get_reshaped_data(run_in_tmpdir):
     model.settings.inactive = 10
     model.settings.batches = 20
 
-    sph_mesh = openmc.SphericalMesh()
-    sph_mesh.r_grid = np.linspace(0.0, 5.0**3, 20)**(1/3)
-    sph_mesh.theta_grid = np.linspace(0, math.pi, 4)
-    sph_mesh.phi_grid = np.linspace(0, 2*math.pi, 3)
+    sph_mesh = openmc.SphericalMesh(
+        r_grid=np.linspace(0.0, 5.0**3, 20)**(1/3),
+        theta_grid=np.linspace(0, math.pi, 4),
+        phi_grid=np.linspace(0, 2*math.pi, 3)
+    )
     tally1 = openmc.Tally()
     efilter = openmc.EnergyFilter([0, 1e5, 1e8])
     meshfilter = openmc.MeshFilter(sph_mesh)
diff --git a/tests/unit_tests/test_mesh.py b/tests/unit_tests/test_mesh.py
index 4a09df045..affbcabd2 100644
--- a/tests/unit_tests/test_mesh.py
+++ b/tests/unit_tests/test_mesh.py
@@ -1,6 +1,9 @@
-import openmc
-import pytest
+from math import pi
+
 import numpy as np
+import pytest
+import openmc
+
 
 @pytest.mark.parametrize("val_left,val_right", [(0, 0), (-1., -1.), (2.0, 2)])
 def test_raises_error_when_flat(val_left, val_right):
@@ -37,10 +40,63 @@ def test_raises_error_when_flat(val_left, val_right):
 
 def test_mesh_bounding_box():
     mesh = openmc.RegularMesh()
-    mesh.lower_left = [-2, -3 ,-5]
+    mesh.lower_left = [-2, -3, -5]
     mesh.upper_right = [2, 3, 5]
     bb = mesh.bounding_box
     assert isinstance(bb, openmc.BoundingBox)
     np.testing.assert_array_equal(bb.lower_left, np.array([-2, -3 ,-5]))
     np.testing.assert_array_equal(bb.upper_right, np.array([2, 3, 5]))
 
+
+def test_SphericalMesh_initiation():
+
+    # test defaults
+    mesh = openmc.SphericalMesh(r_grid=(0, 10))
+    assert (mesh.origin == np.array([0, 0, 0])).all()
+    assert mesh.r_grid == (0, 10)
+    assert (mesh.theta_grid == np.array([0, pi])).all()
+    assert (mesh.phi_grid == np.array([0, 2*pi])).all()
+
+    # test setting on creation
+    mesh = openmc.SphericalMesh(
+        origin=(1, 2, 3),
+        r_grid=(0, 2),
+        theta_grid=(1, 3),
+        phi_grid=(2, 4)
+    )
+    assert (mesh.origin == np.array([1, 2, 3])).all()
+    assert mesh.r_grid == (0., 2.)
+    assert mesh.theta_grid == (1, 3)
+    assert mesh.phi_grid == (2, 4)
+
+    # test attribute changing
+    mesh.r_grid = (0, 11)
+    assert (mesh.r_grid == np.array([0., 11.])).all()
+
+
+def test_CylindricalMesh_initiation():
+
+    # test defaults
+    mesh = openmc.CylindricalMesh(r_grid=(0, 10), z_grid=(0, 10))
+    assert (mesh.origin == np.array([0, 0, 0])).all()
+    assert mesh.r_grid == (0, 10)
+    assert mesh.phi_grid == (0, 2*pi)
+    assert mesh.z_grid == (0, 10)
+
+    # test setting on creation
+    mesh = openmc.CylindricalMesh(
+        origin=(1, 2, 3),
+        r_grid=(0, 2),
+        z_grid=(1, 3),
+        phi_grid=(2, 4)
+    )
+    assert (mesh.origin == np.array([1, 2, 3])).all()
+    assert (mesh.r_grid == np.array([0., 2.])).all()
+    assert mesh.z_grid == (1, 3)
+    assert (mesh.phi_grid == np.array([2, 4])).all()
+
+    # test attribute changing
+    mesh.r_grid = (0., 10.)
+    assert (mesh.r_grid == np.array([0, 10.])).all()
+    mesh.z_grid = (0., 4.)
+    assert (mesh.z_grid == np.array([0, 4.])).all()
diff --git a/tests/unit_tests/test_mesh_from_domain.py b/tests/unit_tests/test_mesh_from_domain.py
index b4edae196..015c8f88f 100644
--- a/tests/unit_tests/test_mesh_from_domain.py
+++ b/tests/unit_tests/test_mesh_from_domain.py
@@ -9,7 +9,7 @@ def test_reg_mesh_from_cell():
     surface = openmc.Sphere(r=10, x0=2, y0=3, z0=5)
     cell = openmc.Cell(region=-surface)
 
-    mesh = openmc.RegularMesh.from_domain(cell, dimension=[7, 11, 13])
+    mesh = openmc.RegularMesh.from_domain(domain=cell, dimension=[7, 11, 13])
     assert isinstance(mesh, openmc.RegularMesh)
     assert np.array_equal(mesh.dimension, (7, 11, 13))
     assert np.array_equal(mesh.lower_left, cell.bounding_box[0])
@@ -23,7 +23,7 @@ def test_cylindrical_mesh_from_cell():
     z_surface_1 = openmc.ZPlane(z0=30)
     z_surface_2 = openmc.ZPlane(z0=0)
     cell = openmc.Cell(region=-cy_surface & -z_surface_1 & +z_surface_2)
-    mesh = openmc.CylindricalMesh.from_domain(cell, dimension=[2, 4, 3])
+    mesh = openmc.CylindricalMesh.from_domain(domain=cell, dimension=[2, 4, 3])
 
     assert isinstance(mesh, openmc.CylindricalMesh)
     assert np.array_equal(mesh.dimension, (2, 4, 3))
@@ -38,7 +38,7 @@ def test_reg_mesh_from_region():
     surface = openmc.Sphere(r=1, x0=-5, y0=-3, z0=-2)
     region = -surface
 
-    mesh = openmc.RegularMesh.from_domain(region)
+    mesh = openmc.RegularMesh.from_domain(domain=region)
     assert isinstance(mesh, openmc.RegularMesh)
     assert np.array_equal(mesh.dimension, (10, 10, 10))  # default values
     assert np.array_equal(mesh.lower_left, region.bounding_box[0])
@@ -53,7 +53,7 @@ def test_cylindrical_mesh_from_region():
     z_surface_2 = openmc.ZPlane(z0=-30)
     cell = openmc.Cell(region=-cy_surface & -z_surface_1 & +z_surface_2)
     mesh = openmc.CylindricalMesh.from_domain(
-        cell,
+        domain=cell,
         dimension=(6, 2, 3),
         phi_grid_bounds=(0., np.pi)
     )
diff --git a/tests/unit_tests/test_spherical_mesh.py b/tests/unit_tests/test_spherical_mesh.py
index 80f65bb42..b491014cc 100644
--- a/tests/unit_tests/test_spherical_mesh.py
+++ b/tests/unit_tests/test_spherical_mesh.py
@@ -33,11 +33,11 @@ def model():
     settings.run_mode = 'fixed source'
 
     # build
-    mesh = openmc.SphericalMesh()
-    mesh.phi_grid = np.linspace(0, 2*np.pi, 13)
-    mesh.theta_grid = np.linspace(0, np.pi, 7)
-    mesh.r_grid = np.linspace(0, geom_size, geom_size)
-
+    mesh = openmc.SphericalMesh(
+        phi_grid=np.linspace(0, 2*np.pi, 13),
+        theta_grid=np.linspace(0, np.pi, 7),
+        r_grid=np.linspace(0, geom_size, geom_size),
+    )
     tally = openmc.Tally()
 
     mesh_filter = openmc.MeshFilter(mesh)
@@ -135,8 +135,7 @@ def void_coincident_geom_model():
     settings.particles = 5000
     model.settings = settings
 
-    mesh = openmc.SphericalMesh()
-    mesh.r_grid = np.linspace(0, 250, 501)
+    mesh = openmc.SphericalMesh(r_grid=np.linspace(0, 250, 501))
     mesh_filter = openmc.MeshFilter(mesh)
 
     tally = openmc.Tally()

From f9c17dd82f8933a20dfb881b6dfe8f6d962f7f95 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Sat, 5 Aug 2023 15:54:09 -0500
Subject: [PATCH 1907/2654] Improving documentation on the return array of
 openmc.lib.id_map (#2630)

---
 openmc/lib/plot.py | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/openmc/lib/plot.py b/openmc/lib/plot.py
index d142d6cd2..9f294a42c 100644
--- a/openmc/lib/plot.py
+++ b/openmc/lib/plot.py
@@ -229,7 +229,8 @@ def id_map(plot):
     -------
     id_map : numpy.ndarray
         A NumPy array with shape (vertical pixels, horizontal pixels, 3) of
-        OpenMC property ids with dtype int32
+        OpenMC property ids with dtype int32. The last dimension of the array
+        contains, in order, cell IDs, cell instances, and material IDs.
 
     """
     img_data = np.zeros((plot.v_res, plot.h_res, 3),

From cce80fe7da8b32631601afe72464f76b1ef13335 Mon Sep 17 00:00:00 2001
From: Christopher Billingham <cbillingham@gmail.com>
Date: Sun, 6 Aug 2023 01:31:38 +0100
Subject: [PATCH 1908/2654] Spherical bb (#2620)

Co-authored-by: Jonathan Shimwell <drshimwell@gmail.com>
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/mesh.py                | 26 ++++++++++++++++++++++++++
 tests/unit_tests/test_mesh.py | 22 +++++++++++++++++++++-
 2 files changed, 47 insertions(+), 1 deletion(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index a878d4f71..30ad738a2 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -505,6 +505,9 @@ class RegularMesh(StructuredMesh):
     upper_right : Iterable of float
         The upper-right corner of the structured mesh. If only two coordinate
         are given, it is assumed that the mesh is an x-y mesh.
+    bounding_box: openmc.BoundingBox
+        Axis-aligned bounding box of the cell defined by the upper-right and lower-
+        left coordinates
     width : Iterable of float
         The width of mesh cells in each direction.
     indices : Iterable of tuple
@@ -1549,6 +1552,15 @@ class SphericalMesh(StructuredMesh):
     indices : Iterable of tuple
         An iterable of mesh indices for each mesh element, e.g. [(1, 1, 1),
         (2, 1, 1), ...]
+    lower_left : numpy.ndarray
+        The lower-left corner of the structured mesh. If only two coordinate
+        are given, it is assumed that the mesh is an x-y mesh.
+    upper_right : numpy.ndarray
+        The upper-right corner of the structured mesh. If only two coordinate
+        are given, it is assumed that the mesh is an x-y mesh.
+    bounding_box : openmc.BoundingBox
+        Axis-aligned bounding box of the cell defined by the upper-right and lower-
+        left coordinates
 
     """
 
@@ -1629,6 +1641,20 @@ class SphericalMesh(StructuredMesh):
                 for t in range(1, nt + 1)
                 for r in range(1, nr + 1))
 
+    @property
+    def lower_left(self):
+        r = self.r_grid[-1]
+        return np.array((self.origin[0] - r, self.origin[1] - r, self.origin[2] - r))
+
+    @property
+    def upper_right(self):
+        r = self.r_grid[-1]
+        return np.array((self.origin[0] + r, self.origin[1] + r, self.origin[2] + r))
+
+    @property
+    def bounding_box(self):
+        return openmc.BoundingBox(self.lower_left, self.upper_right)
+
     def __repr__(self):
         fmt = '{0: <16}{1}{2}\n'
         string = super().__repr__()
diff --git a/tests/unit_tests/test_mesh.py b/tests/unit_tests/test_mesh.py
index affbcabd2..60d14a279 100644
--- a/tests/unit_tests/test_mesh.py
+++ b/tests/unit_tests/test_mesh.py
@@ -38,7 +38,7 @@ def test_raises_error_when_flat(val_left, val_right):
         mesh.lower_left = [-25, -25, val_left]
 
 
-def test_mesh_bounding_box():
+def test_regular_mesh_bounding_box():
     mesh = openmc.RegularMesh()
     mesh.lower_left = [-2, -3, -5]
     mesh.upper_right = [2, 3, 5]
@@ -48,6 +48,26 @@ def test_mesh_bounding_box():
     np.testing.assert_array_equal(bb.upper_right, np.array([2, 3, 5]))
 
 
+def test_spherical_mesh_bounding_box():
+    # test with mesh at origin (0, 0, 0)
+    mesh = openmc.SphericalMesh([0.1, 0.2, 0.5, 1.], origin=(0., 0., 0.))
+    np.testing.assert_array_equal(mesh.upper_right, (1, 1, 1))
+    np.testing.assert_array_equal(mesh.lower_left, (-1, -1, -1))
+    bb = mesh.bounding_box
+    assert isinstance(bb, openmc.BoundingBox)
+    np.testing.assert_array_equal(bb.lower_left, (-1, -1, -1))
+    np.testing.assert_array_equal(bb.upper_right, (1, 1, 1))
+
+    # test with mesh at origin (3, 5, 7)
+    mesh.origin = (3, 5, 7)
+    np.testing.assert_array_equal(mesh.upper_right, (4, 6, 8))
+    np.testing.assert_array_equal(mesh.lower_left, (2, 4, 6))
+    bb = mesh.bounding_box
+    assert isinstance(bb, openmc.BoundingBox)
+    np.testing.assert_array_equal(bb.lower_left, (2, 4, 6))
+    np.testing.assert_array_equal(bb.upper_right, (4, 6, 8))
+
+
 def test_SphericalMesh_initiation():
 
     # test defaults

From c340d4b8ecacb9e40f2d3aa9028198fe942d8cfe Mon Sep 17 00:00:00 2001
From: kevinm387 <65828579+kevinm387@users.noreply.github.com>
Date: Sat, 5 Aug 2023 18:51:09 -0700
Subject: [PATCH 1909/2654] Add get_decay_heat() function to deplete.Results
 (#2625)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/deplete/results.py                    | 66 ++++++++++++++++++--
 tests/unit_tests/test_deplete_resultslist.py | 27 +++++++-
 2 files changed, 86 insertions(+), 7 deletions(-)

diff --git a/openmc/deplete/results.py b/openmc/deplete/results.py
index bd1f884d5..e781e154f 100644
--- a/openmc/deplete/results.py
+++ b/openmc/deplete/results.py
@@ -99,7 +99,7 @@ class Results(list):
         self,
         mat: typing.Union[Material, str],
         units: str = "Bq/cm3",
-        by_nuclide: bool = False, 
+        by_nuclide: bool = False,
         volume: Optional[float] = None
     ) -> Tuple[np.ndarray, typing.Union[np.ndarray, List[dict]]]:
         """Get activity of material over time.
@@ -122,11 +122,11 @@ class Results(list):
         -------
         times : numpy.ndarray
             Array of times in [s]
-        activities : numpy.ndarray
+        activities : numpy.ndarray or List[dict]
             Array of total activities if by_nuclide = False (default)
-            or array of dictionaries of activities by nuclide if
+            or list of dictionaries of activities by nuclide if
             by_nuclide = True.
-            
+
         """
         if isinstance(mat, Material):
             mat_id = str(mat.id)
@@ -134,7 +134,7 @@ class Results(list):
             mat_id = mat
         else:
             raise TypeError('mat should be of type openmc.Material or str')
-        
+
         times = np.empty_like(self, dtype=float)
         if by_nuclide:
             activities = [None] * len(self)
@@ -145,7 +145,7 @@ class Results(list):
         for i, result in enumerate(self):
             times[i] = result.time[0]
             activities[i] = result.get_material(mat_id).get_activity(units, by_nuclide, volume)
-        
+
         return times, activities
 
     def get_atoms(
@@ -211,6 +211,60 @@ class Results(list):
 
         return times, concentrations
 
+    def get_decay_heat(
+            self,
+            mat: typing.Union[Material, str],
+            units: str = "W",
+            by_nuclide: bool = False,
+            volume: Optional[float] = None
+    ) -> Tuple[np.ndarray, typing.Union[np.ndarray, List[dict]]]:
+        """Get decay heat of material over time.
+
+        Parameters
+        ----------
+        mat : openmc.Material, str
+            Material object or material id to evaluate.
+        units : {'W', 'W/g', 'W/cm3'}
+            Specifies the units of decay heat to return. Options include total
+            heat [W], specific [W/g] or volumetric heat [W/cm3].
+        by_nuclide : bool
+            Specifies if the decay heat should be returned for the material as a
+            whole or per nuclide. Default is False.
+        volume : float, optional
+            Volume of the material. If not passed, defaults to using the
+            :attr:`Material.volume` attribute.
+
+        Returns
+        -------
+        times : numpy.ndarray
+            Array of times in [s]
+        decay_heat : numpy.ndarray or List[dict]
+            Array of total decay heat values if by_nuclide = False (default)
+            or list of dictionaries of decay heat values by nuclide if
+            by_nuclide = True.
+        """
+
+        if isinstance(mat, Material):
+            mat_id = str(mat.id)
+        elif isinstance(mat, str):
+            mat_id = mat
+        else:
+            raise TypeError('mat should be of type openmc.Material or str')
+
+        times = np.empty_like(self, dtype=float)
+        if by_nuclide:
+            decay_heat = [None] * len(self)
+        else:
+            decay_heat = np.empty_like(self, dtype=float)
+
+        # Evaluate decay heat for each depletion time
+        for i, result in enumerate(self):
+            times[i] = result.time[0]
+            decay_heat[i] = result.get_material(mat_id).get_decay_heat(
+                units, by_nuclide, volume)
+
+        return times, decay_heat
+
     def get_mass(self,
         mat: typing.Union[Material, str],
         nuc: str,
diff --git a/tests/unit_tests/test_deplete_resultslist.py b/tests/unit_tests/test_deplete_resultslist.py
index f5716eb8a..190affea9 100644
--- a/tests/unit_tests/test_deplete_resultslist.py
+++ b/tests/unit_tests/test_deplete_resultslist.py
@@ -30,7 +30,7 @@ def test_get_activity(res):
     a_xe135_ref = np.array(
         [2.106574218e+05, 1.227519888e+11, 1.177491828e+11, 1.031986176e+11])
     t_nuc, a_nuc = res.get_activity("1", by_nuclide=True)
-    
+
     a_xe135 = np.array([a_nuc_i["Xe135"] for a_nuc_i in a_nuc])
 
     np.testing.assert_allclose(t_nuc, t_ref)
@@ -64,6 +64,31 @@ def test_get_atoms(res):
     assert t_hour == pytest.approx(t_ref / (60 * 60))
 
 
+def test_get_decay_heat(res):
+    """Tests evaluating decay heat."""
+    # Set chain file for testing
+    openmc.config['chain_file'] = Path(__file__).parents[1] / 'chain_simple.xml'
+
+    t_ref = np.array([0.0, 1296000.0, 2592000.0, 3888000.0])
+    dh_ref = np.array(
+        [1.27933813e-09, 5.85347232e-03, 7.38773010e-03, 5.79954067e-03])
+
+    t, dh = res.get_decay_heat("1")
+
+    np.testing.assert_allclose(t, t_ref)
+    np.testing.assert_allclose(dh, dh_ref)
+
+    # Check by nuclide
+    dh_xe135_ref = np.array(
+        [1.27933813e-09, 7.45481920e-04, 7.15099509e-04, 6.26732849e-04])
+    t_nuc, dh_nuc = res.get_decay_heat("1", by_nuclide=True)
+
+    dh_nuc_xe135 = np.array([dh_nuc_i["Xe135"] for dh_nuc_i in dh_nuc])
+
+    np.testing.assert_allclose(t_nuc, t_ref)
+    np.testing.assert_allclose(dh_nuc_xe135, dh_xe135_ref)
+
+
 def test_get_mass(res):
     """Tests evaluating single nuclide concentration."""
     t, n = res.get_mass("1", "Xe135")

From 75a5d84a5b38ee45ee64c63b4d4a4aaa3dc7df08 Mon Sep 17 00:00:00 2001
From: Christopher Billingham <cbillingham@gmail.com>
Date: Sun, 6 Aug 2023 10:26:48 +0100
Subject: [PATCH 1910/2654] Cylindrical bb (#2621)

Co-authored-by: Jonathan Shimwell <drshimwell@gmail.com>
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/mesh.py                | 30 ++++++++++++++++++++++++++++++
 tests/unit_tests/test_mesh.py | 30 ++++++++++++++++++++++++++----
 2 files changed, 56 insertions(+), 4 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 30ad738a2..5313ebb39 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -1225,6 +1225,15 @@ class CylindricalMesh(StructuredMesh):
     indices : Iterable of tuple
         An iterable of mesh indices for each mesh element, e.g. [(1, 1, 1),
         (2, 1, 1), ...]
+    lower_left : Iterable of float
+        The lower-left corner of the structured mesh. If only two coordinate
+        are given, it is assumed that the mesh is an x-y mesh.
+    upper_right : Iterable of float
+        The upper-right corner of the structured mesh. If only two coordinate
+        are given, it is assumed that the mesh is an x-y mesh.
+    bounding_box: openmc.OpenMC
+        Axis-aligned cartesian bounding box of cell defined by upper-right and lower-
+        left coordinates
 
     """
 
@@ -1305,6 +1314,27 @@ class CylindricalMesh(StructuredMesh):
                 for p in range(1, np + 1)
                 for r in range(1, nr + 1))
 
+
+    @property
+    def lower_left(self):
+        return np.array((
+            self.origin[0] - self.r_grid[-1],
+            self.origin[1] - self.r_grid[-1],
+            self.origin[2] - self.z_grid[-1]
+        ))
+
+    @property
+    def upper_right(self):
+        return np.array((
+            self.origin[0] + self.r_grid[-1],
+            self.origin[1] + self.r_grid[-1],
+            self.origin[2] + self.z_grid[-1]
+        ))
+
+    @property
+    def bounding_box(self):
+        return openmc.BoundingBox(self.lower_left, self.upper_right)
+
     def __repr__(self):
         fmt = '{0: <16}{1}{2}\n'
         string = super().__repr__()
diff --git a/tests/unit_tests/test_mesh.py b/tests/unit_tests/test_mesh.py
index 60d14a279..480104154 100644
--- a/tests/unit_tests/test_mesh.py
+++ b/tests/unit_tests/test_mesh.py
@@ -44,8 +44,32 @@ def test_regular_mesh_bounding_box():
     mesh.upper_right = [2, 3, 5]
     bb = mesh.bounding_box
     assert isinstance(bb, openmc.BoundingBox)
-    np.testing.assert_array_equal(bb.lower_left, np.array([-2, -3 ,-5]))
-    np.testing.assert_array_equal(bb.upper_right, np.array([2, 3, 5]))
+    np.testing.assert_array_equal(bb.lower_left, (-2, -3 ,-5))
+    np.testing.assert_array_equal(bb.upper_right, (2, 3, 5))
+
+
+def test_cylindrical_mesh_bounding_box():
+    # test with mesh at origin (0, 0, 0)
+    mesh = openmc.CylindricalMesh(
+        r_grid=[0.1, 0.2, 0.5, 1.],
+        z_grid=[0.1, 0.2, 0.4, 0.6, 1.],
+        origin=(0, 0, 0)
+    )
+    np.testing.assert_array_equal(mesh.upper_right, (1, 1, 1))
+    np.testing.assert_array_equal(mesh.lower_left, (-1, -1, -1))
+    bb = mesh.bounding_box
+    assert isinstance(bb, openmc.BoundingBox)
+    np.testing.assert_array_equal(bb.lower_left, (-1, -1, -1))
+    np.testing.assert_array_equal(bb.upper_right, (1, 1, 1))
+
+    # test with mesh at origin (3, 5, 7)
+    mesh.origin = (3, 5, 7)
+    np.testing.assert_array_equal(mesh.upper_right, (4, 6, 8))
+    np.testing.assert_array_equal(mesh.lower_left, (2, 4, 6))
+    bb = mesh.bounding_box
+    assert isinstance(bb, openmc.BoundingBox)
+    np.testing.assert_array_equal(bb.lower_left, (2, 4, 6))
+    np.testing.assert_array_equal(bb.upper_right, (4, 6, 8))
 
 
 def test_spherical_mesh_bounding_box():
@@ -69,7 +93,6 @@ def test_spherical_mesh_bounding_box():
 
 
 def test_SphericalMesh_initiation():
-
     # test defaults
     mesh = openmc.SphericalMesh(r_grid=(0, 10))
     assert (mesh.origin == np.array([0, 0, 0])).all()
@@ -95,7 +118,6 @@ def test_SphericalMesh_initiation():
 
 
 def test_CylindricalMesh_initiation():
-
     # test defaults
     mesh = openmc.CylindricalMesh(r_grid=(0, 10), z_grid=(0, 10))
     assert (mesh.origin == np.array([0, 0, 0])).all()

From 46866cb33abe462f8787e7316a35e9d5235ccedd Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 9 Aug 2023 02:07:38 -0500
Subject: [PATCH 1911/2654] Check for zero fission cross section before
 sampling fission reaction (#2600)

---
 src/physics.cpp | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/src/physics.cpp b/src/physics.cpp
index a2fdaf2e9..28c316c68 100644
--- a/src/physics.cpp
+++ b/src/physics.cpp
@@ -106,7 +106,7 @@ void sample_neutron_reaction(Particle& p)
 
   const auto& nuc {data::nuclides[i_nuclide]};
 
-  if (nuc->fissionable_) {
+  if (nuc->fissionable_ && p.neutron_xs(i_nuclide).fission > 0.0) {
     auto& rx = sample_fission(i_nuclide, p);
     if (settings::run_mode == RunMode::EIGENVALUE) {
       create_fission_sites(p, i_nuclide, rx);

From 1d29adc0808a726fba93ad687fcce7b1b6632f66 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Sat, 12 Aug 2023 17:15:27 +0100
Subject: [PATCH 1912/2654] added missing Depletable to __repr__ (#2639)

---
 openmc/material.py | 1 +
 1 file changed, 1 insertion(+)

diff --git a/openmc/material.py b/openmc/material.py
index 4e3fdac81..95dae032e 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -145,6 +145,7 @@ class Material(IDManagerMixin):
         string += f' [{self._density_units}]\n'
 
         string += '{: <16}=\t{} [cm^3]\n'.format('\tVolume', self._volume)
+        string += '{: <16}=\t{}\n'.format('\tDepletable', self._depletable)
 
         string += '{: <16}\n'.format('\tS(a,b) Tables')
 

From e332861aacacbccd40fdfaad1f946a7449fc780a Mon Sep 17 00:00:00 2001
From: Baptiste Mouginot <15145274+bam241@users.noreply.github.com>
Date: Sat, 19 Aug 2023 00:43:59 +0200
Subject: [PATCH 1913/2654] adding cell name to volume calculation when
 possible (#2652)

---
 src/volume_calc.cpp | 13 +++++++++++--
 1 file changed, 11 insertions(+), 2 deletions(-)

diff --git a/src/volume_calc.cpp b/src/volume_calc.cpp
index 0b1ea3575..b58da4750 100644
--- a/src/volume_calc.cpp
+++ b/src/volume_calc.cpp
@@ -534,8 +534,17 @@ int openmc_calculate_volumes()
 
       // Display domain volumes
       for (int j = 0; j < vol_calc.domain_ids_.size(); j++) {
-        write_message(4, "{}{}: {} +/- {} cm^3", domain_type,
-          vol_calc.domain_ids_[j], results[j].volume[0], results[j].volume[1]);
+        std::string cell_name {""};
+        if (vol_calc.domain_type_ == VolumeCalculation::TallyDomain::CELL) {
+          int cell_idx = model::cell_map[vol_calc.domain_ids_[j]];
+          cell_name = model::cells[cell_idx]->name();
+          if (cell_name.size())
+            cell_name.insert(0, " "); // prepend space for formatting
+        }
+
+        write_message(4, "{}{}{}: {} +/- {} cm^3", domain_type,
+          vol_calc.domain_ids_[j], cell_name, results[j].volume[0],
+          results[j].volume[1]);
       }
 
       // Write volumes to HDF5 file

From e8de4c18b87fc2160f22912f49113d6b790916c5 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Sat, 19 Aug 2023 00:35:12 +0100
Subject: [PATCH 1914/2654] Improved get step where value error msg (#2654)

---
 openmc/deplete/results.py | 7 ++++---
 1 file changed, 4 insertions(+), 3 deletions(-)

diff --git a/openmc/deplete/results.py b/openmc/deplete/results.py
index e781e154f..d205bf571 100644
--- a/openmc/deplete/results.py
+++ b/openmc/deplete/results.py
@@ -512,10 +512,11 @@ class Results(list):
         if math.isclose(time, times[ix], rel_tol=rtol, abs_tol=atol):
             return ix
 
+        closest = min(times, key=lambda t: abs(time - t))
         raise ValueError(
-            "A value of {} {} was not found given absolute and "
-            "relative tolerances {} and {}.".format(
-                time, time_units, atol, rtol)
+            f"A value of {time} {time_units} was not found given absolute and "
+            f"relative tolerances {atol} and {rtol}. Closest time is {closest} "
+            f"{time_units}."
         )
 
     def export_to_materials(

From 471caa581025ab85b65dd6a5eebc6ae9a464f495 Mon Sep 17 00:00:00 2001
From: Josh May <josh@radiantnuclear.com>
Date: Fri, 18 Aug 2023 22:20:00 -0700
Subject: [PATCH 1915/2654] Set cross_sections for element expansion in
 Material.add_element() (#2633)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/material.py | 10 +++++++---
 1 file changed, 7 insertions(+), 3 deletions(-)

diff --git a/openmc/material.py b/openmc/material.py
index 95dae032e..4ef16ab01 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -642,7 +642,8 @@ class Material(IDManagerMixin):
     def add_element(self, element: str, percent: float, percent_type: str = 'ao',
                     enrichment: Optional[float] = None,
                     enrichment_target: Optional[str] = None,
-                    enrichment_type: Optional[str] = None):
+                    enrichment_type: Optional[str] = None,
+                    cross_sections: Optional[str] = None):
         """Add a natural element to the material
 
         Parameters
@@ -669,6 +670,8 @@ class Material(IDManagerMixin):
             Default is: 'ao' for two-isotope enrichment; 'wo' for U enrichment
 
             .. versionadded:: 0.12
+        cross_sections : str, optional
+            Location of cross_sections.xml file.
 
         Notes
         -----
@@ -747,7 +750,8 @@ class Material(IDManagerMixin):
                                       percent_type,
                                       enrichment,
                                       enrichment_target,
-                                      enrichment_type):
+                                      enrichment_type,
+                                      cross_sections):
             self.add_nuclide(*nuclide)
 
     def add_elements_from_formula(self, formula: str, percent_type: str = 'ao',
@@ -1457,7 +1461,7 @@ class Material(IDManagerMixin):
         if "cfg" in elem.attrib:
             cfg = elem.get("cfg")
             return Material.from_ncrystal(cfg, material_id=mat_id)
-     
+
         mat = cls(mat_id)
         mat.name = elem.get('name')
 

From b62b62ac3115701e1baff4c028fd1360a3e3d051 Mon Sep 17 00:00:00 2001
From: rlbarker <rosiebarker1@hotmail.com>
Date: Sat, 19 Aug 2023 06:20:22 +0100
Subject: [PATCH 1916/2654] Added inf check in VolumeCalculation. (#2634)

Co-authored-by: Rosie Barker <rbarker@FL000139.firstlightfusion.local>
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/volume.py                |  4 ++++
 tests/unit_tests/test_volume.py | 15 +++++++++++++++
 2 files changed, 19 insertions(+)
 create mode 100644 tests/unit_tests/test_volume.py

diff --git a/openmc/volume.py b/openmc/volume.py
index 72fe89fbc..dddd30a52 100644
--- a/openmc/volume.py
+++ b/openmc/volume.py
@@ -122,6 +122,10 @@ class VolumeCalculation:
                 raise ValueError('Could not automatically determine bounding box '
                                  'for stochastic volume calculation.')
 
+        if np.isinf(self.lower_left).any() or np.isinf(self.upper_right).any():
+            raise ValueError('Lower-left and upper-right bounding box '
+                             'coordinates must be finite.')
+
     @property
     def ids(self):
         return self._ids
diff --git a/tests/unit_tests/test_volume.py b/tests/unit_tests/test_volume.py
new file mode 100644
index 000000000..f49bb3501
--- /dev/null
+++ b/tests/unit_tests/test_volume.py
@@ -0,0 +1,15 @@
+import numpy as np
+import pytest
+
+import openmc
+
+
+def test_infinity_handling():
+    surf1 = openmc.Sphere(boundary_type="vacuum")
+    cell1 = openmc.Cell(region=-surf1)
+
+    lower_left = (-2, -np.inf, -2)
+    upper_right = (np.inf, 2, 2)
+
+    with pytest.raises(ValueError, match="must be finite"):
+        openmc.VolumeCalculation([cell1], 100, lower_left, upper_right)

From 096402444257f7d3eae2bc178f6f2384d70c1c15 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Sat, 19 Aug 2023 06:20:43 +0100
Subject: [PATCH 1917/2654] added universe plot tests to catch color=None and
 axis values (#2637)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/universe.py                |  9 +++++----
 tests/unit_tests/test_universe.py | 20 +++++++++++++++++---
 2 files changed, 22 insertions(+), 7 deletions(-)

diff --git a/openmc/universe.py b/openmc/universe.py
index c490ac298..0ee158936 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -370,8 +370,8 @@ class Universe(UniverseBase):
 
         Returns
         -------
-        matplotlib.image.AxesImage
-            Resulting image
+        matplotlib.axes.Axes
+            Axes containing resulting image
 
         """
         import matplotlib.image as mpimg
@@ -483,7 +483,7 @@ class Universe(UniverseBase):
             # add legend showing which colors represent which material
             # or cell if that was requested
             if legend:
-                if plot.colors is None:
+                if plot.colors == {}:
                     raise ValueError("Must pass 'colors' dictionary if you "
                                      "are adding a legend via legend=True.")
 
@@ -522,7 +522,8 @@ class Universe(UniverseBase):
                 axes.legend(handles=patches, **legend_kwargs)
 
             # Plot image and return the axes
-            return axes.imshow(img, extent=(x_min, x_max, y_min, y_max), **kwargs)
+            axes.imshow(img, extent=(x_min, x_max, y_min, y_max), **kwargs)
+            return axes
 
     def add_cell(self, cell):
         """Add a cell to the universe.
diff --git a/tests/unit_tests/test_universe.py b/tests/unit_tests/test_universe.py
index f4cf43d91..630e66df3 100644
--- a/tests/unit_tests/test_universe.py
+++ b/tests/unit_tests/test_universe.py
@@ -61,14 +61,17 @@ def test_plot(run_in_tmpdir, sphere_model):
     }
 
     for basis in ('xy', 'yz', 'xz'):
-        pincell.geometry.root_universe.plot(
+        plot = pincell.geometry.root_universe.plot(
             colors=mat_colors,
             color_by="material",
             legend=True,
             pixels=(10, 10),
             basis=basis,
-            outline=True
+            outline=True,
+            axis_units='m'
         )
+        assert plot.xaxis.get_label().get_text() == f'{basis[0]} [m]'
+        assert plot.yaxis.get_label().get_text() == f'{basis[1]} [m]'
 
     # model with no inf values in bounding box
     m = sphere_model.materials[0]
@@ -77,7 +80,7 @@ def test_plot(run_in_tmpdir, sphere_model):
     colors = {m: 'limegreen'}
 
     for basis in ('xy', 'yz', 'xz'):
-        univ.plot(
+        plot = univ.plot(
             colors=colors,
             color_by="cell",
             legend=False,
@@ -85,6 +88,17 @@ def test_plot(run_in_tmpdir, sphere_model):
             basis=basis,
             outline=False
         )
+        assert plot.xaxis.get_label().get_text() == f'{basis[0]} [cm]'
+        assert plot.yaxis.get_label().get_text() == f'{basis[1]} [cm]'
+
+    msg = "Must pass 'colors' dictionary if you are adding a legend via legend=True."
+    # This plot call should fail as legend is True but colors is None
+    with pytest.raises(ValueError, match=msg):
+        univ.plot(
+            color_by="cell",
+            legend=True,
+            pixels=100,
+        )
 
 
 def test_get_nuclides(uo2):

From fa245b0087124e4fa5926ab3e681e26b03209bcc Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Sat, 19 Aug 2023 00:51:08 -0500
Subject: [PATCH 1918/2654] Fixing `Universe.plot` seed. (#2647)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 docs/source/io_formats/settings.rst | 10 +++++++++-
 openmc/settings.py                  | 25 +++++++++++++++++++++++++
 openmc/universe.py                  |  2 +-
 src/settings.cpp                    |  7 +++++++
 tests/unit_tests/test_settings.py   |  4 +++-
 5 files changed, 45 insertions(+), 3 deletions(-)

diff --git a/docs/source/io_formats/settings.rst b/docs/source/io_formats/settings.rst
index 1016fbaa3..36027ef2f 100644
--- a/docs/source/io_formats/settings.rst
+++ b/docs/source/io_formats/settings.rst
@@ -345,6 +345,15 @@ either "false" or "true".
 
   *Default*: false
 
+-----------------------
+``<plot_seed>`` Element
+-----------------------
+
+The ``<plot_seed>`` element is used to set the seed for the pseudorandom number
+generator during generation of colors in plots.
+
+  *Default*: 1
+
 ---------------------
 ``<ptables>`` Element
 ---------------------
@@ -1175,4 +1184,3 @@ mesh-based weight windows.
 
   The ``weight_windows_file`` element has no attributes and contains the path to
   a weight windows HDF5 file to load during simulation initialization.
-
diff --git a/openmc/settings.py b/openmc/settings.py
index 7937cd2e7..c4be8699f 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -133,6 +133,8 @@ class Settings:
         Number of particles per generation
     photon_transport : bool
         Whether to use photon transport.
+    plot_seed : int
+       Initial seed for randomly generated plot colors.
     ptables : bool
         Determine whether probability tables are used.
     resonance_scattering : dict
@@ -270,6 +272,7 @@ class Settings:
         self._confidence_intervals = None
         self._electron_treatment = None
         self._photon_transport = None
+        self._plot_seed = None
         self._ptables = None
         self._seed = None
         self._survival_biasing = None
@@ -504,6 +507,16 @@ class Settings:
         cv.check_type('photon transport', photon_transport, bool)
         self._photon_transport = photon_transport
 
+    @property
+    def plot_seed(self):
+        return self._plot_seed
+
+    @plot_seed.setter
+    def plot_seed(self, seed):
+        cv.check_type('random plot color seed', seed, Integral)
+        cv.check_greater_than('random plot color seed', seed, 0)
+        self._plot_seed = seed
+
     @property
     def seed(self) -> int:
         return self._seed
@@ -1118,6 +1131,11 @@ class Settings:
             element = ET.SubElement(root, "photon_transport")
             element.text = str(self._photon_transport).lower()
 
+    def _create_plot_seed_subelement(self, root):
+        if self._plot_seed is not None:
+            element = ET.SubElement(root, "plot_seed")
+            element.text = str(self._plot_seed)
+
     def _create_ptables_subelement(self, root):
         if self._ptables is not None:
             element = ET.SubElement(root, "ptables")
@@ -1491,6 +1509,11 @@ class Settings:
         if text is not None:
             self.photon_transport = text in ('true', '1')
 
+    def _plot_seed_from_xml_element(self, root):
+        text = get_text(root, 'plot_seed')
+        if text is not None:
+            self.plot_seed = int(text)
+
     def _ptables_from_xml_element(self, root):
         text = get_text(root, 'ptables')
         if text is not None:
@@ -1706,6 +1729,7 @@ class Settings:
         self._create_energy_mode_subelement(element)
         self._create_max_order_subelement(element)
         self._create_photon_transport_subelement(element)
+        self._create_plot_seed_subelement(element)
         self._create_ptables_subelement(element)
         self._create_seed_subelement(element)
         self._create_survival_biasing_subelement(element)
@@ -1802,6 +1826,7 @@ class Settings:
         settings._energy_mode_from_xml_element(elem)
         settings._max_order_from_xml_element(elem)
         settings._photon_transport_from_xml_element(elem)
+        settings._plot_seed_from_xml_element(elem)
         settings._ptables_from_xml_element(elem)
         settings._seed_from_xml_element(elem)
         settings._survival_biasing_from_xml_element(elem)
diff --git a/openmc/universe.py b/openmc/universe.py
index 0ee158936..d4743e263 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -423,7 +423,7 @@ class Universe(UniverseBase):
             model = openmc.Model()
             model.geometry = openmc.Geometry(self)
             if seed is not None:
-                model.settings.seed = seed
+                model.settings.plot_seed = seed
 
             # Determine whether any materials contains macroscopic data and if
             # so, set energy mode accordingly
diff --git a/src/settings.cpp b/src/settings.cpp
index 1c039e9ba..ace2887a6 100644
--- a/src/settings.cpp
+++ b/src/settings.cpp
@@ -22,6 +22,7 @@
 #include "openmc/mesh.h"
 #include "openmc/message_passing.h"
 #include "openmc/output.h"
+#include "openmc/plot.h"
 #include "openmc/random_lcg.h"
 #include "openmc/simulation.h"
 #include "openmc/source.h"
@@ -390,6 +391,12 @@ void read_settings_xml(pugi::xml_node root)
     }
   }
 
+  // Copy plotting random number seed if specified
+  if (check_for_node(root, "plot_seed")) {
+    auto seed = std::stoll(get_node_value(root, "plot_seed"));
+    model::plotter_seed = seed;
+  }
+
   // Copy random number seed if specified
   if (check_for_node(root, "seed")) {
     auto seed = std::stoll(get_node_value(root, "seed"));
diff --git a/tests/unit_tests/test_settings.py b/tests/unit_tests/test_settings.py
index d75a50477..79f2038b2 100644
--- a/tests/unit_tests/test_settings.py
+++ b/tests/unit_tests/test_settings.py
@@ -23,6 +23,7 @@ def test_export_to_xml(run_in_tmpdir):
     s.surf_source_write = {'surface_ids': [2], 'max_particles': 200}
     s.confidence_intervals = True
     s.ptables = True
+    s.plot_seed = 100
     s.survival_biasing = True
     s.cutoff = {'weight': 0.25, 'weight_avg': 0.5, 'energy_neutron': 1.0e-5,
                 'energy_photon': 1000.0, 'energy_electron': 1.0e-5,
@@ -82,6 +83,7 @@ def test_export_to_xml(run_in_tmpdir):
     assert s.surf_source_write == {'surface_ids': [2], 'max_particles': 200}
     assert s.confidence_intervals
     assert s.ptables
+    assert s.plot_seed == 100
     assert s.seed == 17
     assert s.survival_biasing
     assert s.cutoff == {'weight': 0.25, 'weight_avg': 0.5,
@@ -108,7 +110,7 @@ def test_export_to_xml(run_in_tmpdir):
                                       'energy_min': 1.0, 'energy_max': 1000.0,
                                       'nuclides': ['U235', 'U238', 'Pu239']}
     assert s.create_fission_neutrons
-    assert not s.create_delayed_neutrons 
+    assert not s.create_delayed_neutrons
     assert s.log_grid_bins == 2000
     assert not s.photon_transport
     assert s.electron_treatment == 'led'

From 457bea6f0b49493649e2d9e27122a7c307826001 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Sat, 19 Aug 2023 13:15:11 +0100
Subject: [PATCH 1919/2654] replaced ordereddict with {} (#2641)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/cell.py                                | 21 +++++----
 openmc/data/ace.py                            |  5 +--
 openmc/data/neutron.py                        |  5 +--
 openmc/data/photon.py                         |  5 +--
 openmc/deplete/atom_number.py                 |  6 +--
 openmc/deplete/chain.py                       |  6 +--
 openmc/deplete/openmc_operator.py             |  7 ++-
 openmc/deplete/reaction_rates.py              |  6 +--
 openmc/deplete/stepresult.py                  | 19 ++++----
 openmc/element.py                             |  3 +-
 openmc/filter.py                              |  3 +-
 openmc/geometry.py                            | 44 +++++++++----------
 openmc/lattice.py                             | 19 ++++----
 openmc/material.py                            |  7 ++-
 openmc/mgxs/library.py                        | 19 ++++----
 openmc/mgxs/mdgxs.py                          | 17 ++++---
 openmc/mgxs/mgxs.py                           | 29 ++++++------
 openmc/region.py                              | 13 +++---
 openmc/surface.py                             |  7 ++-
 openmc/universe.py                            | 27 ++++++------
 openmc/volume.py                              |  3 +-
 .../unit_tests/test_lattice_discretization.py |  4 +-
 22 files changed, 128 insertions(+), 147 deletions(-)

diff --git a/openmc/cell.py b/openmc/cell.py
index b0be1ea79..fa74dff4a 100644
--- a/openmc/cell.py
+++ b/openmc/cell.py
@@ -1,4 +1,3 @@
-from collections import OrderedDict
 from collections.abc import Iterable
 from math import cos, sin, pi
 from numbers import Real
@@ -86,7 +85,7 @@ class Cell(IDManagerMixin):
         calculated in a stochastic volume calculation and added via the
         :meth:`Cell.add_volume_information` method. For 'distribmat' cells
         it is the total volume of all instances.
-    atoms : collections.OrderedDict
+    atoms : dict
         Mapping of nuclides to the total number of atoms for each nuclide
         present in the cell, or in all of its instances for a 'distribmat'
         fill. For example, {'U235': 1.0e22, 'U238': 5.0e22, ...}.
@@ -316,7 +315,7 @@ class Cell(IDManagerMixin):
                 # Assumes that volume is total volume of all instances
                 # Also assumes that all instances have the same volume
                 partial_volume = self.volume / len(self.fill)
-                self._atoms = OrderedDict()
+                self._atoms = {}
                 for mat in self.fill:
                     for key, atom_per_bcm in mat.get_nuclide_atom_densities().items():
                         # To account for overlap of nuclides between distribmat
@@ -389,13 +388,13 @@ class Cell(IDManagerMixin):
 
         Returns
         -------
-        nuclides : collections.OrderedDict
+        nuclides : dict
             Dictionary whose keys are nuclide names and values are 2-tuples of
             (nuclide, density)
 
         """
 
-        nuclides = OrderedDict()
+        nuclides = {}
 
         if self.fill_type == 'material':
             nuclides.update(self.fill.get_nuclide_densities())
@@ -423,13 +422,13 @@ class Cell(IDManagerMixin):
 
         Returns
         -------
-        cells : collections.orderedDict
+        cells : dict
             Dictionary whose keys are cell IDs and values are :class:`Cell`
             instances
 
         """
 
-        cells = OrderedDict()
+        cells = {}
 
         if memo and self in memo:
             return cells
@@ -447,12 +446,12 @@ class Cell(IDManagerMixin):
 
         Returns
         -------
-        materials : collections.OrderedDict
+        materials : dict
             Dictionary whose keys are material IDs and values are
             :class:`Material` instances
 
         """
-        materials = OrderedDict()
+        materials = {}
         if self.fill_type == 'material':
             materials[self.fill.id] = self.fill
         elif self.fill_type == 'distribmat':
@@ -473,13 +472,13 @@ class Cell(IDManagerMixin):
 
         Returns
         -------
-        universes : collections.OrderedDict
+        universes : dict
             Dictionary whose keys are universe IDs and values are
             :class:`Universe` instances
 
         """
 
-        universes = OrderedDict()
+        universes = {}
 
         if self.fill_type == 'universe':
             universes[self.fill.id] = self.fill
diff --git a/openmc/data/ace.py b/openmc/data/ace.py
index 91cbe4196..7c348bd17 100644
--- a/openmc/data/ace.py
+++ b/openmc/data/ace.py
@@ -15,7 +15,6 @@ generates ACE-format cross sections.
 
 """
 
-from collections import OrderedDict
 import enum
 from pathlib import Path
 import struct
@@ -544,7 +543,7 @@ def get_libraries_from_xsdir(path):
 
     # Create list of ACE libraries -- we use an ordered dictionary while
     # building to get O(1) membership checks while retaining insertion order
-    libraries = OrderedDict()
+    libraries = {}
     for line in lines:
         words = line.split()
         if len(words) < 3:
@@ -576,7 +575,7 @@ def get_libraries_from_xsdata(path):
     with open(xsdata, 'r') as xsdata_file:
         # As in get_libraries_from_xsdir, we use a dict for O(1) membership
         # check while retaining insertion order
-        libraries = OrderedDict()
+        libraries = {}
         for line in xsdata_file:
             words = line.split()
             if len(words) >= 9:
diff --git a/openmc/data/neutron.py b/openmc/data/neutron.py
index 11d1456f8..e0c0032f0 100644
--- a/openmc/data/neutron.py
+++ b/openmc/data/neutron.py
@@ -1,4 +1,3 @@
-from collections import OrderedDict
 from collections.abc import Mapping, MutableMapping
 from io import StringIO
 from math import log10
@@ -76,7 +75,7 @@ class IncidentNeutron(EqualityMixin):
         state.
     name : str
         Name of the nuclide using the GNDS naming convention
-    reactions : collections.OrderedDict
+    reactions : dict
         Contains the cross sections, secondary angle and energy distributions,
         and other associated data for each reaction. The keys are the MT values
         and the values are Reaction objects.
@@ -107,7 +106,7 @@ class IncidentNeutron(EqualityMixin):
         self.kTs = kTs
         self.energy = {}
         self._fission_energy = None
-        self.reactions = OrderedDict()
+        self.reactions = {}
         self._urr = {}
         self._resonances = None
 
diff --git a/openmc/data/photon.py b/openmc/data/photon.py
index 1d2546f0e..7c96e9fac 100644
--- a/openmc/data/photon.py
+++ b/openmc/data/photon.py
@@ -1,4 +1,3 @@
-from collections import OrderedDict
 from collections.abc import Mapping, Callable
 from copy import deepcopy
 from io import StringIO
@@ -432,7 +431,7 @@ class IncidentPhoton(EqualityMixin):
         the projection of the electron momentum on the scattering vector,
         :math:`p_z` for each subshell). Note that subshell occupancies may not
         match the atomic relaxation data.
-    reactions : collections.OrderedDict
+    reactions : dict
         Contains the cross sections for each photon reaction. The keys are MT
         values and the values are instances of :class:`PhotonReaction`.
 
@@ -441,7 +440,7 @@ class IncidentPhoton(EqualityMixin):
     def __init__(self, atomic_number):
         self.atomic_number = atomic_number
         self._atomic_relaxation = None
-        self.reactions = OrderedDict()
+        self.reactions = {}
         self.compton_profiles = {}
         self.bremsstrahlung = {}
 
diff --git a/openmc/deplete/atom_number.py b/openmc/deplete/atom_number.py
index 78ceecca6..b24c048cc 100644
--- a/openmc/deplete/atom_number.py
+++ b/openmc/deplete/atom_number.py
@@ -2,8 +2,6 @@
 
 An ndarray to store atom densities with string, integer, or slice indexing.
 """
-from collections import OrderedDict
-
 import numpy as np
 
 from openmc import Material
@@ -47,8 +45,8 @@ class AtomNumber:
 
     """
     def __init__(self, local_mats, nuclides, volume, n_nuc_burn):
-        self.index_mat = OrderedDict((mat, i) for i, mat in enumerate(local_mats))
-        self.index_nuc = OrderedDict((nuc, i) for i, nuc in enumerate(nuclides))
+        self.index_mat = {mat: i for i, mat in enumerate(local_mats)}
+        self.index_nuc = {nuc: i for i, nuc in enumerate(nuclides)}
 
         self.volume = np.ones(len(local_mats))
         for mat, val in volume.items():
diff --git a/openmc/deplete/chain.py b/openmc/deplete/chain.py
index 51fb0ad9c..5c80b1842 100644
--- a/openmc/deplete/chain.py
+++ b/openmc/deplete/chain.py
@@ -9,7 +9,7 @@ from itertools import chain
 import math
 import os
 import re
-from collections import OrderedDict, defaultdict, namedtuple
+from collections import defaultdict, namedtuple
 from collections.abc import Mapping, Iterable
 from numbers import Real, Integral
 from warnings import warn
@@ -248,7 +248,7 @@ class Chain:
         Nuclides present in the chain.
     reactions : list of str
         Reactions that are tracked in the depletion chain
-    nuclide_dict : OrderedDict of str to int
+    nuclide_dict : dict of str to int
         Maps a nuclide name to an index in nuclides.
     fission_yields : None or iterable of dict
         List of effective fission yields for materials. Each dictionary
@@ -264,7 +264,7 @@ class Chain:
     def __init__(self):
         self.nuclides = []
         self.reactions = []
-        self.nuclide_dict = OrderedDict()
+        self.nuclide_dict = {}
         self._fission_yields = None
 
     def __contains__(self, nuclide):
diff --git a/openmc/deplete/openmc_operator.py b/openmc/deplete/openmc_operator.py
index f63828133..d3b9ef911 100644
--- a/openmc/deplete/openmc_operator.py
+++ b/openmc/deplete/openmc_operator.py
@@ -6,7 +6,6 @@ transport-independent transport operators.
 """
 
 from abc import abstractmethod
-from collections import OrderedDict
 
 import numpy as np
 
@@ -172,7 +171,7 @@ class OpenMCOperator(TransportOperator):
         -------
         burnable_mats : list of str
             List of burnable material IDs
-        volume : OrderedDict of str to float
+        volume : dict of str to float
             Volume of each material in [cm^3]
         nuclides : list of str
             Nuclides in order of how they'll appear in the simulation.
@@ -181,7 +180,7 @@ class OpenMCOperator(TransportOperator):
 
         burnable_mats = set()
         model_nuclides = set()
-        volume = OrderedDict()
+        volume = {}
 
         self.heavy_metal = 0.0
 
@@ -246,7 +245,7 @@ class OpenMCOperator(TransportOperator):
         ----------
         local_mats : list of str
             Material IDs to be managed by this process
-        volume : OrderedDict of str to float
+        volume : dict of str to float
             Volumes for the above materials in [cm^3]
         all_nuclides : list of str
             Nuclides to be used in the simulation.
diff --git a/openmc/deplete/reaction_rates.py b/openmc/deplete/reaction_rates.py
index 299f1133f..b806dfad8 100644
--- a/openmc/deplete/reaction_rates.py
+++ b/openmc/deplete/reaction_rates.py
@@ -29,11 +29,11 @@ class ReactionRates(np.ndarray):
 
     Attributes
     ----------
-    index_mat : OrderedDict of str to int
+    index_mat : dict of str to int
         A dictionary mapping material ID as string to index.
-    index_nuc : OrderedDict of str to int
+    index_nuc : dict of str to int
         A dictionary mapping nuclide name as string to index.
-    index_rx : OrderedDict of str to int
+    index_rx : dict of str to int
         A dictionary mapping reaction name as string to index.
     n_mat : int
         Number of materials.
diff --git a/openmc/deplete/stepresult.py b/openmc/deplete/stepresult.py
index 689627bbf..9af6b5fee 100644
--- a/openmc/deplete/stepresult.py
+++ b/openmc/deplete/stepresult.py
@@ -6,7 +6,6 @@ timestep.
 
 import copy
 import warnings
-from collections import OrderedDict
 from pathlib import Path
 
 import h5py
@@ -43,13 +42,13 @@ class StepResult:
         Number of nuclides.
     rates : list of ReactionRates
         The reaction rates for each substep.
-    volume : OrderedDict of str to float
+    volume : dict of str to float
         Dictionary mapping mat id to volume.
-    index_mat : OrderedDict of str to int
+    index_mat : dict of str to int
         A dictionary mapping mat ID as string to index.
-    index_nuc : OrderedDict of str to int
+    index_nuc : dict of str to int
         A dictionary mapping nuclide name as string to index.
-    mat_to_hdf5_ind : OrderedDict of str to int
+    mat_to_hdf5_ind : dict of str to int
         A dictionary mapping mat ID as string to global index.
     n_hdf5_mats : int
         Number of materials in entire geometry.
@@ -462,11 +461,11 @@ class StepResult:
             results.proc_time = np.array([np.nan])
 
         # Reconstruct dictionaries
-        results.volume = OrderedDict()
-        results.index_mat = OrderedDict()
-        results.index_nuc = OrderedDict()
-        rxn_nuc_to_ind = OrderedDict()
-        rxn_to_ind = OrderedDict()
+        results.volume = {}
+        results.index_mat = {}
+        results.index_nuc = {}
+        rxn_nuc_to_ind = {}
+        rxn_to_ind = {}
 
         for mat, mat_handle in handle["/materials"].items():
             vol = mat_handle.attrs["volume"]
diff --git a/openmc/element.py b/openmc/element.py
index bc3195aea..01651bebb 100644
--- a/openmc/element.py
+++ b/openmc/element.py
@@ -1,4 +1,3 @@
-from collections import OrderedDict
 import re
 import lxml.etree as ET
 
@@ -124,7 +123,7 @@ class Element(str):
         natural_nuclides = {name for name, abundance in natural_isotopes(self)}
 
         # Create dict to store the expanded nuclides and abundances
-        abundances = OrderedDict()
+        abundances = {}
 
         # If cross_sections is None, get the cross sections from the global
         # configuration
diff --git a/openmc/filter.py b/openmc/filter.py
index 9b3dd5162..d8cf59c00 100644
--- a/openmc/filter.py
+++ b/openmc/filter.py
@@ -1,5 +1,4 @@
 from abc import ABCMeta
-from collections import OrderedDict
 from collections.abc import Iterable
 import hashlib
 from itertools import product
@@ -1677,7 +1676,7 @@ class DistribcellFilter(Filter):
                 level_key = f'level {i_level + 1}'
 
                 # Create a dictionary for this level for Pandas Multi-index
-                level_dict = OrderedDict()
+                level_dict = {}
 
                 # Use the first distribcell path to determine if level
                 # is a universe/cell or lattice level
diff --git a/openmc/geometry.py b/openmc/geometry.py
index f32e979bb..165b7f1a2 100644
--- a/openmc/geometry.py
+++ b/openmc/geometry.py
@@ -1,7 +1,7 @@
 from __future__ import annotations
 import os
 import typing
-from collections import OrderedDict, defaultdict
+from collections import defaultdict
 from copy import deepcopy
 from collections.abc import Iterable
 from pathlib import Path
@@ -362,41 +362,41 @@ class Geometry:
 
         return indices if return_list else indices[0]
 
-    def get_all_cells(self) -> typing.OrderedDict[int, openmc.Cell]:
+    def get_all_cells(self) -> typing.Dict[int, openmc.Cell]:
         """Return all cells in the geometry.
 
         Returns
         -------
-        collections.OrderedDict
+        dict
             Dictionary mapping cell IDs to :class:`openmc.Cell` instances
 
         """
         if self.root_universe is not None:
             return self.root_universe.get_all_cells(memo=set())
         else:
-            return OrderedDict()
+            return {}
 
-    def get_all_universes(self) -> typing.OrderedDict[int, openmc.Universe]:
+    def get_all_universes(self) -> typing.Dict[int, openmc.Universe]:
         """Return all universes in the geometry.
 
         Returns
         -------
-        collections.OrderedDict
+        dict
             Dictionary mapping universe IDs to :class:`openmc.Universe`
             instances
 
         """
-        universes = OrderedDict()
+        universes = {}
         universes[self.root_universe.id] = self.root_universe
         universes.update(self.root_universe.get_all_universes())
         return universes
 
-    def get_all_materials(self) -> typing.OrderedDict[int, openmc.Material]:
+    def get_all_materials(self) -> typing.Dict[int, openmc.Material]:
         """Return all materials within the geometry.
 
         Returns
         -------
-        collections.OrderedDict
+        dict
             Dictionary mapping material IDs to :class:`openmc.Material`
             instances
 
@@ -404,19 +404,19 @@ class Geometry:
         if self.root_universe is not None:
             return self.root_universe.get_all_materials(memo=set())
         else:
-            return OrderedDict()
+            return {}
 
-    def get_all_material_cells(self) -> typing.OrderedDict[int, openmc.Cell]:
+    def get_all_material_cells(self) -> typing.Dict[int, openmc.Cell]:
         """Return all cells filled by a material
 
         Returns
         -------
-        collections.OrderedDict
+        dict
             Dictionary mapping cell IDs to :class:`openmc.Cell` instances that
             are filled with materials or distributed materials.
 
         """
-        material_cells = OrderedDict()
+        material_cells = {}
 
         for cell in self.get_all_cells().values():
             if cell.fill_type in ('material', 'distribmat'):
@@ -425,7 +425,7 @@ class Geometry:
 
         return material_cells
 
-    def get_all_material_universes(self) -> typing.OrderedDict[int, openmc.Universe]:
+    def get_all_material_universes(self) -> typing.Dict[int, openmc.Universe]:
         """Return all universes having at least one material-filled cell.
 
         This method can be used to find universes that have at least one cell
@@ -433,12 +433,12 @@ class Geometry:
 
         Returns
         -------
-        collections.OrderedDict
+        dict
             Dictionary mapping universe IDs to :class:`openmc.Universe`
             instances with at least one material-filled cell
 
         """
-        material_universes = OrderedDict()
+        material_universes = {}
 
         for universe in self.get_all_universes().values():
             for cell in universe.cells.values():
@@ -448,16 +448,16 @@ class Geometry:
 
         return material_universes
 
-    def get_all_lattices(self) -> typing.OrderedDict[int, openmc.Lattice]:
+    def get_all_lattices(self) -> typing.Dict[int, openmc.Lattice]:
         """Return all lattices defined
 
         Returns
         -------
-        collections.OrderedDict
+        dict
             Dictionary mapping lattice IDs to :class:`openmc.Lattice` instances
 
         """
-        lattices = OrderedDict()
+        lattices = {}
 
         for cell in self.get_all_cells().values():
             if cell.fill_type == 'lattice':
@@ -466,17 +466,17 @@ class Geometry:
 
         return lattices
 
-    def get_all_surfaces(self) -> typing.OrderedDict[int, openmc.Surface]:
+    def get_all_surfaces(self) -> typing.Dict[int, openmc.Surface]:
         """
         Return all surfaces used in the geometry
 
         Returns
         -------
-        collections.OrderedDict
+        dict
             Dictionary mapping surface IDs to :class:`openmc.Surface` instances
 
         """
-        surfaces = OrderedDict()
+        surfaces = {}
 
         for cell in self.get_all_cells().values():
             if cell.region is not None:
diff --git a/openmc/lattice.py b/openmc/lattice.py
index 0983f6d0c..926a016ef 100644
--- a/openmc/lattice.py
+++ b/openmc/lattice.py
@@ -1,5 +1,4 @@
 from abc import ABC
-from collections import OrderedDict
 from collections.abc import Iterable
 from copy import deepcopy
 from math import sqrt, floor
@@ -113,13 +112,13 @@ class Lattice(IDManagerMixin, ABC):
 
         Returns
         -------
-        universes : collections.OrderedDict
+        universes : dict
             Dictionary whose keys are universe IDs and values are
             :class:`openmc.UniverseBase` instances
 
         """
 
-        univs = OrderedDict()
+        univs = {}
         for k in range(len(self._universes)):
             for j in range(len(self._universes[k])):
                 if isinstance(self._universes[k][j], openmc.UniverseBase):
@@ -164,12 +163,12 @@ class Lattice(IDManagerMixin, ABC):
 
         Returns
         -------
-        cells : collections.OrderedDict
+        cells : dict
             Dictionary whose keys are cell IDs and values are :class:`Cell`
             instances
 
         """
-        cells = OrderedDict()
+        cells = {}
 
         if memo and self in memo:
             return cells
@@ -189,13 +188,13 @@ class Lattice(IDManagerMixin, ABC):
 
         Returns
         -------
-        materials : collections.OrderedDict
+        materials : dict
             Dictionary whose keys are material IDs and values are
             :class:`Material` instances
 
         """
 
-        materials = OrderedDict()
+        materials = {}
 
         # Append all Cells in each Cell in the Universe to the dictionary
         cells = self.get_all_cells(memo)
@@ -209,7 +208,7 @@ class Lattice(IDManagerMixin, ABC):
 
         Returns
         -------
-        universes : collections.OrderedDict
+        universes : dict
             Dictionary whose keys are universe IDs and values are
             :class:`Universe` instances
 
@@ -217,7 +216,7 @@ class Lattice(IDManagerMixin, ABC):
 
         # Initialize a dictionary of all Universes contained by the Lattice
         # in each nested Universe level
-        all_universes = OrderedDict()
+        all_universes = {}
 
         # Get all unique Universes contained in each of the lattice cells
         unique_universes = self.get_unique_universes()
@@ -1127,7 +1126,7 @@ class HexLattice(Lattice):
     @property
     def orientation(self):
         return self._orientation
-    
+
     @orientation.setter
     def orientation(self, orientation):
         cv.check_value('orientation', orientation.lower(), ('x', 'y'))
diff --git a/openmc/material.py b/openmc/material.py
index 4ef16ab01..f0e9117e6 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -1,5 +1,5 @@
 from __future__ import annotations
-from collections import OrderedDict, defaultdict, namedtuple, Counter
+from collections import defaultdict, namedtuple, Counter
 from collections.abc import Iterable
 from copy import deepcopy
 from numbers import Real
@@ -942,8 +942,7 @@ class Material(IDManagerMixin):
 
         """
 
-        # keep ordered dictionary for testing purposes
-        nuclides = OrderedDict()
+        nuclides = {}
 
         for nuclide in self._nuclides:
             nuclides[nuclide.name] = nuclide
@@ -1028,7 +1027,7 @@ class Material(IDManagerMixin):
 
         nuc_densities = density * nuc_densities
 
-        nuclides = OrderedDict()
+        nuclides = {}
         for n, nuc in enumerate(nucs):
             if nuclide is None or nuclide == nuc:
                 nuclides[nuc] = nuc_densities[n]
diff --git a/openmc/mgxs/library.py b/openmc/mgxs/library.py
index 988b7cc75..2fa2e0f05 100644
--- a/openmc/mgxs/library.py
+++ b/openmc/mgxs/library.py
@@ -1,4 +1,3 @@
-from collections import OrderedDict
 from collections.abc import Iterable
 import copy
 from numbers import Integral
@@ -83,7 +82,7 @@ class Library:
     tally_trigger : openmc.Trigger
         An (optional) tally precision trigger given to each tally used to
         compute the cross section
-    all_mgxs : collections.OrderedDict
+    all_mgxs : dict
         MGXS objects keyed by domain ID and cross section type
     sp_filename : str
         The filename of the statepoint with tally data used to the
@@ -119,7 +118,7 @@ class Library:
         self._legendre_order = 0
         self._histogram_bins = 16
         self._tally_trigger = None
-        self._all_mgxs = OrderedDict()
+        self._all_mgxs = {}
         self._sp_filename = None
         self._keff = None
         self._sparse = False
@@ -159,9 +158,9 @@ class Library:
             clone._keff = self._keff
             clone._sparse = self.sparse
 
-            clone._all_mgxs = OrderedDict()
+            clone._all_mgxs = {}
             for domain in self.domains:
-                clone.all_mgxs[domain.id] = OrderedDict()
+                clone.all_mgxs[domain.id] = {}
                 for mgxs_type in self.mgxs_types:
                     mgxs = copy.deepcopy(self.all_mgxs[domain.id][mgxs_type])
                     clone.all_mgxs[domain.id][mgxs_type] = mgxs
@@ -191,7 +190,7 @@ class Library:
     def name(self, name):
         cv.check_type('name', name, str)
         self._name = name
-    
+
     @property
     def mgxs_types(self):
         return self._mgxs_types
@@ -306,7 +305,7 @@ class Library:
     @property
     def energy_groups(self):
         return self._energy_groups
-    
+
     @energy_groups.setter
     def energy_groups(self, energy_groups):
         cv.check_type('energy groups', energy_groups, openmc.mgxs.EnergyGroups)
@@ -324,7 +323,7 @@ class Library:
         cv.check_greater_than('num delayed groups', num_delayed_groups, 0,
                               equality=True)
         self._num_delayed_groups = num_delayed_groups
-    
+
     @property
     def num_polar(self):
         return self._num_polar
@@ -382,7 +381,7 @@ class Library:
             self.correction = None
 
         self._scatter_format = scatter_format
-    
+
     @property
     def legendre_order(self):
         return self._legendre_order
@@ -503,7 +502,7 @@ class Library:
 
         # Initialize MGXS for each domain and mgxs type and store in dictionary
         for domain in self.domains:
-            self.all_mgxs[domain.id] = OrderedDict()
+            self.all_mgxs[domain.id] = {}
             for mgxs_type in self.mgxs_types:
                 if mgxs_type in openmc.mgxs.MDGXS_TYPES:
                     mgxs = openmc.mgxs.MDGXS.get_mgxs(
diff --git a/openmc/mgxs/mdgxs.py b/openmc/mgxs/mdgxs.py
index 7643757d4..3a6732748 100644
--- a/openmc/mgxs/mdgxs.py
+++ b/openmc/mgxs/mdgxs.py
@@ -1,4 +1,3 @@
-from collections import OrderedDict
 import copy
 import itertools
 from numbers import Integral
@@ -90,7 +89,7 @@ class MDGXS(MGXS):
         the multi-group cross section
     estimator : {'tracklength', 'analog'}
         The tally estimator used to compute the multi-group cross section
-    tallies : collections.OrderedDict
+    tallies : dict
         OpenMC tallies needed to compute the multi-group cross section
     rxn_rate_tally : openmc.Tally
         Derived tally for the reaction rate tally used in the numerator to
@@ -161,7 +160,7 @@ class MDGXS(MGXS):
             clone._sparse = self.sparse
             clone._derived = self.derived
 
-            clone._tallies = OrderedDict()
+            clone._tallies = {}
             for tally_type, tally in self.tallies.items():
                 clone.tallies[tally_type] = copy.deepcopy(tally, memo)
 
@@ -972,7 +971,7 @@ class ChiDelayed(MDGXS):
         the multi-group cross section
     estimator : 'analog'
         The tally estimator used to compute the multi-group cross section
-    tallies : collections.OrderedDict
+    tallies : dict
         OpenMC tallies needed to compute the multi-group cross section. The keys
         are strings listed in the :attr:`ChiDelayed.tally_keys` property and
         values are instances of :class:`openmc.Tally`.
@@ -1491,7 +1490,7 @@ class DelayedNuFissionXS(MDGXS):
         the multi-group cross section
     estimator : {'tracklength', 'analog'}
         The tally estimator used to compute the multi-group cross section
-    tallies : collections.OrderedDict
+    tallies : dict
         OpenMC tallies needed to compute the multi-group cross section. The keys
         are strings listed in the :attr:`DelayedNuFissionXS.tally_keys` property
         and values are instances of :class:`openmc.Tally`.
@@ -1630,7 +1629,7 @@ class Beta(MDGXS):
         the multi-group cross section
     estimator : {'tracklength', 'analog'}
         The tally estimator used to compute the multi-group cross section
-    tallies : collections.OrderedDict
+    tallies : dict
         OpenMC tallies needed to compute the multi-group cross section. The keys
         are strings listed in the :attr:`Beta.tally_keys` property and
         values are instances of :class:`openmc.Tally`.
@@ -1823,7 +1822,7 @@ class DecayRate(MDGXS):
         the multi-group cross section
     estimator : {'tracklength', 'analog'}
         The tally estimator used to compute the multi-group cross section
-    tallies : collections.OrderedDict
+    tallies : dict
         OpenMC tallies needed to compute the multi-group cross section. The keys
         are strings listed in the :attr:`DecayRate.tally_keys` property and
         values are instances of :class:`openmc.Tally`.
@@ -2137,7 +2136,7 @@ class MatrixMDGXS(MDGXS):
         the multi-group cross section
     estimator : {'tracklength', 'collision', 'analog'}
         The tally estimator used to compute the multi-group cross section
-    tallies : collections.OrderedDict
+    tallies : dict
         OpenMC tallies needed to compute the multi-group cross section
     rxn_rate_tally : openmc.Tally
         Derived tally for the reaction rate tally used in the numerator to
@@ -2735,7 +2734,7 @@ class DelayedNuFissionMatrixXS(MatrixMDGXS):
         the multi-group cross section
     estimator : 'analog'
         The tally estimator used to compute the multi-group cross section
-    tallies : collections.OrderedDict
+    tallies : dict
         OpenMC tallies needed to compute the multi-group cross section. The keys
         are strings listed in the :attr:`DelayedNuFissionXS.tally_keys` property
         and values are instances of :class:`openmc.Tally`.
diff --git a/openmc/mgxs/mgxs.py b/openmc/mgxs/mgxs.py
index 264cbc892..b6840d079 100644
--- a/openmc/mgxs/mgxs.py
+++ b/openmc/mgxs/mgxs.py
@@ -1,4 +1,3 @@
-from collections import OrderedDict
 import copy
 from numbers import Integral
 import os
@@ -216,7 +215,7 @@ class MGXS:
         the multi-group cross section
     estimator : {'tracklength', 'collision', 'analog'}
         The tally estimator used to compute the multi-group cross section
-    tallies : collections.OrderedDict
+    tallies : dict
         OpenMC tallies needed to compute the multi-group cross section
     rxn_rate_tally : openmc.Tally
         Derived tally for the reaction rate tally used in the numerator to
@@ -319,7 +318,7 @@ class MGXS:
         clone._derived = self.derived
         clone._mgxs_type = self._mgxs_type
 
-        clone._tallies = OrderedDict()
+        clone._tallies = {}
         for tally_type, tally in self.tallies.items():
             clone.tallies[tally_type] = copy.deepcopy(tally, memo)
 
@@ -576,7 +575,7 @@ class MGXS:
         if self._tallies is None:
 
             # Initialize a collection of Tallies
-            self._tallies = OrderedDict()
+            self._tallies ={}
 
             # Create a domain Filter object
             filter_type = _DOMAIN_TO_FILTER[self.domain_type]
@@ -1690,7 +1689,7 @@ class MGXS:
             merged_mgxs.nuclides = self.nuclides + other.nuclides
 
         # Null base tallies but merge reaction rate and cross section tallies
-        merged_mgxs._tallies = OrderedDict()
+        merged_mgxs._tallies ={}
         merged_mgxs._rxn_rate_tally = self.rxn_rate_tally.merge(other.rxn_rate_tally)
         merged_mgxs._xs_tally = self.xs_tally.merge(other.xs_tally)
 
@@ -2690,7 +2689,7 @@ class TransportXS(MGXS):
         the multi-group cross section
     estimator : 'analog'
         The tally estimator used to compute the multi-group cross section
-    tallies : collections.OrderedDict
+    tallies : dict
         OpenMC tallies needed to compute the multi-group cross section. The keys
         are strings listed in the :attr:`TransportXS.tally_keys` property and
         values are instances of :class:`openmc.Tally`.
@@ -2931,7 +2930,7 @@ class DiffusionCoefficient(TransportXS):
         the multi-group cross section
     estimator : 'analog'
         The tally estimator used to compute the multi-group cross section
-    tallies : collections.OrderedDict
+    tallies : dict
         OpenMC tallies needed to compute the multi-group cross section. The keys
         are strings listed in the :attr:`TransportXS.tally_keys` property and
         values are instances of :class:`openmc.Tally`.
@@ -3078,7 +3077,7 @@ class DiffusionCoefficient(TransportXS):
             diff_coef = transport**(-1) / 3.0
             diff_coef *= self.tallies['flux (tracklength)']
             flux_tally = condensed_xs.tallies['flux (tracklength)']
-            condensed_xs._tallies = OrderedDict()
+            condensed_xs._tallies = {}
             condensed_xs._tallies[self._rxn_type] = diff_coef
             condensed_xs._tallies['flux (tracklength)'] = flux_tally
             condensed_xs._rxn_rate_tally = diff_coef
@@ -3394,7 +3393,7 @@ class FissionXS(MGXS):
         the multi-group cross section
     estimator : {'tracklength', 'collision', 'analog'}
         The tally estimator used to compute the multi-group cross section
-    tallies : collections.OrderedDict
+    tallies : dict
         OpenMC tallies needed to compute the multi-group cross section. The keys
         are strings listed in the :attr:`FissionXS.tally_keys` property and
         values are instances of :class:`openmc.Tally`.
@@ -3613,7 +3612,7 @@ class ScatterXS(MGXS):
         the multi-group cross section
     estimator : {'tracklength', 'collision', 'analog'}
         The tally estimator used to compute the multi-group cross section
-    tallies : collections.OrderedDict
+    tallies : dict
         OpenMC tallies needed to compute the multi-group cross section. The keys
         are strings listed in the :attr:`ScatterXS.tally_keys` property and
         values are instances of :class:`openmc.Tally`.
@@ -3923,7 +3922,7 @@ class ScatterMatrixXS(MatrixMGXS):
         the multi-group cross section
     estimator : 'analog'
         The tally estimator used to compute the multi-group cross section
-    tallies : collections.OrderedDict
+    tallies : dict
         OpenMC tallies needed to compute the multi-group cross section. The keys
         are strings listed in the :attr:`ScatterMatrixXS.tally_keys` property
         and values are instances of :class:`openmc.Tally`.
@@ -5193,7 +5192,7 @@ class NuFissionMatrixXS(MatrixMGXS):
         the multi-group cross section
     estimator : 'analog'
         The tally estimator used to compute the multi-group cross section
-    tallies : collections.OrderedDict
+    tallies : dict
         OpenMC tallies needed to compute the multi-group cross section. The keys
         are strings listed in the :attr:`NuFissionMatrixXS.tally_keys`
         property and values are instances of :class:`openmc.Tally`.
@@ -5354,7 +5353,7 @@ class Chi(MGXS):
         the multi-group cross section
     estimator : 'analog'
         The tally estimator used to compute the multi-group cross section
-    tallies : collections.OrderedDict
+    tallies : dict
         OpenMC tallies needed to compute the multi-group cross section. The keys
         are strings listed in the :attr:`Chi.tally_keys` property and values are
         instances of :class:`openmc.Tally`.
@@ -5922,7 +5921,7 @@ class MeshSurfaceMGXS(MGXS):
         the multi-group cross section
     estimator : {'analog'}
         The tally estimator used to compute the multi-group cross section
-    tallies : collections.OrderedDict
+    tallies : dict
         OpenMC tallies needed to compute the multi-group cross section
     rxn_rate_tally : openmc.Tally
         Derived tally for the reaction rate tally used in the numerator to
@@ -6309,7 +6308,7 @@ class Current(MeshSurfaceMGXS):
         the multi-group cross section
     estimator : {'analog'}
         The tally estimator used to compute the multi-group cross section
-    tallies : collections.OrderedDict
+    tallies : dict
         OpenMC tallies needed to compute the multi-group cross section. The keys
         are strings listed in the :attr:`TotalXS.tally_keys` property and values
         are instances of :class:`openmc.Tally`.
diff --git a/openmc/region.py b/openmc/region.py
index af9df1ba1..a2d3b1d0c 100644
--- a/openmc/region.py
+++ b/openmc/region.py
@@ -1,5 +1,4 @@
 from abc import ABC, abstractmethod
-from collections import OrderedDict
 from collections.abc import MutableSequence
 from copy import deepcopy
 
@@ -47,17 +46,17 @@ class Region(ABC):
 
         Parameters
         ----------
-        surfaces: collections.OrderedDict, optional
+        surfaces : dict, optional
             Dictionary mapping surface IDs to :class:`openmc.Surface` instances
 
         Returns
         -------
-        surfaces: collections.OrderedDict
+        surfaces : dict
             Dictionary mapping surface IDs to :class:`openmc.Surface` instances
 
         """
         if surfaces is None:
-            surfaces = OrderedDict()
+            surfaces = {}
         for region in self:
             surfaces = region.get_surfaces(surfaces)
         return surfaces
@@ -590,17 +589,17 @@ class Complement(Region):
 
         Parameters
         ----------
-        surfaces: collections.OrderedDict, optional
+        surfaces : dict, optional
             Dictionary mapping surface IDs to :class:`openmc.Surface` instances
 
         Returns
         -------
-        surfaces: collections.OrderedDict
+        surfaces : dict
             Dictionary mapping surface IDs to :class:`openmc.Surface` instances
 
         """
         if surfaces is None:
-            surfaces = OrderedDict()
+            surfaces = {}
         for region in self.node:
             surfaces = region.get_surfaces(surfaces)
         return surfaces
diff --git a/openmc/surface.py b/openmc/surface.py
index 1f35e7bff..6f19de5ca 100644
--- a/openmc/surface.py
+++ b/openmc/surface.py
@@ -1,5 +1,4 @@
 from abc import ABC, abstractmethod
-from collections import OrderedDict
 from collections.abc import Iterable
 from copy import deepcopy
 import math
@@ -2549,17 +2548,17 @@ class Halfspace(Region):
 
         Parameters
         ----------
-        surfaces: collections.OrderedDict, optional
+        surfaces : dict, optional
             Dictionary mapping surface IDs to :class:`openmc.Surface` instances
 
         Returns
         -------
-        surfaces: collections.OrderedDict
+        surfaces : dict
             Dictionary mapping surface IDs to :class:`openmc.Surface` instances
 
         """
         if surfaces is None:
-            surfaces = OrderedDict()
+            surfaces = {}
 
         surfaces[self.surface.id] = self.surface
         return surfaces
diff --git a/openmc/universe.py b/openmc/universe.py
index d4743e263..299709acc 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -1,7 +1,6 @@
 import math
 import typing
 from abc import ABC, abstractmethod
-from collections import OrderedDict
 from collections.abc import Iterable
 from copy import deepcopy
 from numbers import Integral, Real
@@ -46,7 +45,7 @@ class UniverseBase(ABC, IDManagerMixin):
 
         # Keys   - Cell IDs
         # Values - Cells
-        self._cells = OrderedDict()
+        self._cells = {}
 
     def __repr__(self):
         string = 'Universe\n'
@@ -100,13 +99,13 @@ class UniverseBase(ABC, IDManagerMixin):
 
         Returns
         -------
-        universes : collections.OrderedDict
+        universes : dict
             Dictionary whose keys are universe IDs and values are
             :class:`Universe` instances
 
         """
         # Append all Universes within each Cell to the dictionary
-        universes = OrderedDict()
+        universes = {}
         for cell in self.get_all_cells().values():
             universes.update(cell.get_all_universes())
 
@@ -169,7 +168,7 @@ class UniverseBase(ABC, IDManagerMixin):
             clone = self._partial_deepcopy()
 
             # Clone all cells for the universe clone
-            clone._cells = OrderedDict()
+            clone._cells = {}
             for cell in self._cells.values():
                 clone.add_cell(cell.clone(clone_materials, clone_regions,
                                           memo))
@@ -199,7 +198,7 @@ class Universe(UniverseBase):
         Unique identifier of the universe
     name : str
         Name of the universe
-    cells : collections.OrderedDict
+    cells : dict
         Dictionary whose keys are cell IDs and values are :class:`Cell`
         instances
     volume : float
@@ -611,12 +610,12 @@ class Universe(UniverseBase):
 
         Returns
         -------
-        nuclides : collections.OrderedDict
+        nuclides : dict
             Dictionary whose keys are nuclide names and values are 2-tuples of
             (nuclide, density)
 
         """
-        nuclides = OrderedDict()
+        nuclides = {}
 
         if self._atoms:
             volume = self.volume
@@ -638,13 +637,13 @@ class Universe(UniverseBase):
 
         Returns
         -------
-        cells : collections.OrderedDict
+        cells : dict
             Dictionary whose keys are cell IDs and values are :class:`Cell`
             instances
 
         """
 
-        cells = OrderedDict()
+        cells = {}
 
         if memo and self in memo:
             return cells
@@ -666,13 +665,13 @@ class Universe(UniverseBase):
 
         Returns
         -------
-        materials : collections.OrderedDict
+        materials : dict
             Dictionary whose keys are material IDs and values are
             :class:`Material` instances
 
         """
 
-        materials = OrderedDict()
+        materials = {}
 
         # Append all Cells in each Cell in the Universe to the dictionary
         cells = self.get_all_cells(memo)
@@ -883,10 +882,10 @@ class DAGMCUniverse(UniverseBase):
         return sorted(set(material_tags_ascii))
 
     def get_all_cells(self, memo=None):
-        return OrderedDict()
+        return {}
 
     def get_all_materials(self, memo=None):
-        return OrderedDict()
+        return {}
 
     def _n_geom_elements(self, geom_type):
         """
diff --git a/openmc/volume.py b/openmc/volume.py
index dddd30a52..90882267d 100644
--- a/openmc/volume.py
+++ b/openmc/volume.py
@@ -1,4 +1,3 @@
-from collections import OrderedDict
 from collections.abc import Iterable, Mapping
 from numbers import Real, Integral
 import lxml.etree as ET
@@ -285,7 +284,7 @@ class VolumeCalculation:
                     volumes[domain_id] = volume
                     nucnames = group['nuclides'][()]
                     atoms_ = group['atoms'][()]
-                    atom_dict = OrderedDict()
+                    atom_dict = {}
                     for name_i, atoms_i in zip(nucnames, atoms_):
                         atom_dict[name_i.decode()] = ufloat(*atoms_i)
                     atoms[domain_id] = atom_dict
diff --git a/tests/unit_tests/test_lattice_discretization.py b/tests/unit_tests/test_lattice_discretization.py
index b21d7e13e..c7779ea8b 100644
--- a/tests/unit_tests/test_lattice_discretization.py
+++ b/tests/unit_tests/test_lattice_discretization.py
@@ -34,8 +34,8 @@ def test_discretization_clone_only_some_materials(rlat2):
     fuel1 = next(iter(rlat_clone.get_universe((0, 0)).cells.values())).fill
     rlat_clone.discretize(materials_to_clone=[fuel1])
 
-    assert next(reversed(rlat_clone.get_universe((0, 0)).cells.values())).fill\
-         == next(reversed(rlat_clone.get_universe((1, 0)).cells.values())).fill
+    assert next(reversed(list(rlat_clone.get_universe((0, 0)).cells.values()))).fill\
+         == next(reversed(list(rlat_clone.get_universe((1, 0)).cells.values()))).fill
     assert next(iter(rlat_clone.get_universe((0, 0)).cells.values())).fill\
          != next(iter(rlat_clone.get_universe((1, 0)).cells.values())).fill
 

From 03f98e8f8234294b85406b20b0534623b032e0d9 Mon Sep 17 00:00:00 2001
From: Christopher Fichtlscherer
 <29277544+cfichtlscherer@users.noreply.github.com>
Date: Sat, 19 Aug 2023 22:20:33 +0200
Subject: [PATCH 1920/2654] time-cutoff version 2.0 (#2631)

---
 docs/source/io_formats/settings.rst           | 36 ++++++++++++----
 include/openmc/particle.h                     |  4 ++
 include/openmc/settings.h                     |  2 +
 openmc/settings.py                            | 17 ++++----
 src/event.cpp                                 |  2 +
 src/finalize.cpp                              |  1 +
 src/particle.cpp                              | 26 ++++++++++++
 src/settings.cpp                              | 13 ++++++
 .../regression_tests/time_cutoff/__init__.py  |  0
 .../time_cutoff/inputs_true.dat               | 34 +++++++++++++++
 .../time_cutoff/results_true.dat              |  5 +++
 tests/regression_tests/time_cutoff/test.py    | 42 +++++++++++++++++++
 tests/unit_tests/test_settings.py             |  8 +++-
 13 files changed, 174 insertions(+), 16 deletions(-)
 create mode 100644 tests/regression_tests/time_cutoff/__init__.py
 create mode 100644 tests/regression_tests/time_cutoff/inputs_true.dat
 create mode 100644 tests/regression_tests/time_cutoff/results_true.dat
 create mode 100755 tests/regression_tests/time_cutoff/test.py

diff --git a/docs/source/io_formats/settings.rst b/docs/source/io_formats/settings.rst
index 36027ef2f..a52de1b90 100644
--- a/docs/source/io_formats/settings.rst
+++ b/docs/source/io_formats/settings.rst
@@ -60,13 +60,15 @@ fission.
 ``<cutoff>`` Element
 --------------------
 
-The ``<cutoff>`` element indicates two kinds of cutoffs. The first is the weight
-cutoff used below which particles undergo Russian roulette. Surviving particles
-are assigned a user-determined weight. Note that weight cutoffs and Russian
-rouletting are not turned on by default. The second is the energy cutoff which
-is used to kill particles under certain energy. The energy cutoff should not be
-used unless you know particles under the energy are of no importance to results
-you care. This element has the following attributes/sub-elements:
+The ``<cutoff>`` element indicates three kinds of cutoffs. The first is the
+weight cutoff used below which particles undergo Russian roulette. Surviving
+particles are assigned a user-determined weight. Note that weight cutoffs and
+Russian rouletting are not turned on by default. The second is the energy cutoff
+which is used to kill particles under certain energy. The energy cutoff should
+not be used unless you know particles under the energy are of no importance to
+results you care. The third is the time cutoff used to kill particles whose time
+exceeds a specific cutoff. Particles will be killed exactly at the specified
+time.
 
   :weight:
     The weight below which particles undergo Russian roulette.
@@ -99,6 +101,26 @@ you care. This element has the following attributes/sub-elements:
 
     *Default*: 0.0
 
+  :time_neutron
+    The time above which neutrons will be killed.
+
+    *Default*: Infinity
+
+  :time_photon
+    The time above which photons will be killed.
+
+    *Default*: Infinity
+
+  :time_electron
+    The time above which electrons will be killed.
+
+    *Default*: Infinity
+
+  :time_positron
+    The time above which positorns will be killed.
+
+    *Default*: Infinity
+
 ----------------------------
 ``<delayed_photon_scaling>``
 ----------------------------
diff --git a/include/openmc/particle.h b/include/openmc/particle.h
index 376c9abf3..80a561f4d 100644
--- a/include/openmc/particle.h
+++ b/include/openmc/particle.h
@@ -40,6 +40,10 @@ public:
 
   double speed() const;
 
+  //! moves the particle by the distance length to its next location
+  //! \param length the distance the particle is moved
+  void move_distance(double length);
+
   //! create a secondary particle
   //
   //! stores the current phase space attributes of the particle in the
diff --git a/include/openmc/settings.h b/include/openmc/settings.h
index 3ce13c89f..9f7882643 100644
--- a/include/openmc/settings.h
+++ b/include/openmc/settings.h
@@ -92,6 +92,8 @@ extern ElectronTreatment
   electron_treatment; //!< how to treat secondary electrons
 extern array<double, 4>
   energy_cutoff; //!< Energy cutoff in [eV] for each particle type
+extern array<double, 4>
+  time_cutoff; //!< Time cutoff in [s] for each particle type
 extern int
   legendre_to_tabular_points; //!< number of points to convert Legendres
 extern int max_order;         //!< Maximum Legendre order for multigroup data
diff --git a/openmc/settings.py b/openmc/settings.py
index c4be8699f..ef20d54db 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -51,14 +51,16 @@ class Settings:
     create_fission_neutrons : bool
         Indicate whether fission neutrons should be created or not.
     cutoff : dict
-        Dictionary defining weight cutoff and energy cutoff. The dictionary may
-        have six keys, 'weight', 'weight_avg', 'energy_neutron', 'energy_photon',
-        'energy_electron', and 'energy_positron'. Value for 'weight'
+        Dictionary defining weight cutoff, energy cutoff and time cutoff. The
+        dictionary may have ten keys, 'weight', 'weight_avg', 'energy_neutron',
+        'energy_photon', 'energy_electron', 'energy_positron', 'time_neutron',
+        'time_photon', 'time_electron', and 'time_positron'. Value for 'weight'
         should be a float indicating weight cutoff below which particle undergo
         Russian roulette. Value for 'weight_avg' should be a float indicating
-        weight assigned to particles that are not killed after Russian
-        roulette. Value of energy should be a float indicating energy in eV
-        below which particle type will be killed.
+        weight assigned to particles that are not killed after Russian roulette.
+        Value of energy should be a float indicating energy in eV below which
+        particle type will be killed. Value of time should be a float in
+        seconds. Particles will be killed exactly at the specified time.
     delayed_photon_scaling : bool
         Indicate whether to scale the fission photon yield by (EGP + EGD)/EGP
         where EGP is the energy release of prompt photons and EGD is the energy
@@ -1534,7 +1536,8 @@ class Settings:
         if elem is not None:
             self.cutoff = {}
             for key in ('energy_neutron', 'energy_photon', 'energy_electron',
-                        'energy_positron', 'weight', 'weight_avg'):
+                        'energy_positron', 'weight', 'weight_avg', 'time_neutron',
+                        'time_photon', 'time_electron', 'time_positron'):
                 value = get_text(elem, key)
                 if value is not None:
                     self.cutoff[key] = float(value)
diff --git a/src/event.cpp b/src/event.cpp
index 1db5c99d7..e9490a77f 100644
--- a/src/event.cpp
+++ b/src/event.cpp
@@ -112,6 +112,8 @@ void process_advance_particle_events()
     int64_t buffer_idx = simulation::advance_particle_queue[i].idx;
     Particle& p = simulation::particles[buffer_idx];
     p.event_advance();
+    if (!p.alive())
+      continue;
     if (p.collision_distance() > p.boundary().distance) {
       simulation::surface_crossing_queue.thread_safe_append({p, buffer_idx});
     } else {
diff --git a/src/finalize.cpp b/src/finalize.cpp
index 59294b28c..f3fe20c27 100644
--- a/src/finalize.cpp
+++ b/src/finalize.cpp
@@ -78,6 +78,7 @@ int openmc_finalize()
   settings::electron_treatment = ElectronTreatment::LED;
   settings::delayed_photon_scaling = true;
   settings::energy_cutoff = {0.0, 1000.0, 0.0, 0.0};
+  settings::time_cutoff = {INFTY, INFTY, INFTY, INFTY};
   settings::entropy_on = false;
   settings::event_based = false;
   settings::gen_per_batch = 1;
diff --git a/src/particle.cpp b/src/particle.cpp
index 200bcc6d6..a40ea7024 100644
--- a/src/particle.cpp
+++ b/src/particle.cpp
@@ -65,6 +65,13 @@ double Particle::speed() const
   return C_LIGHT * std::sqrt(1 - inv_gamma * inv_gamma);
 }
 
+void Particle::move_distance(double length)
+{
+  for (int j = 0; j < n_coord(); ++j) {
+    coord(j).r += length * coord(j).u;
+  }
+}
+
 void Particle::create_secondary(
   double wgt, Direction u, double E, ParticleType type)
 {
@@ -203,11 +210,25 @@ void Particle::event_advance()
   double distance = std::min(boundary().distance, collision_distance());
 
   // Advance particle in space and time
+  // Short-term solution until the surface source is revised and we can use
+  // this->move_distance(distance)
   for (int j = 0; j < n_coord(); ++j) {
     coord(j).r += distance * coord(j).u;
   }
   this->time() += distance / this->speed();
 
+  // Kill particle if its time exceeds the cutoff
+  bool hit_time_boundary = false;
+  double time_cutoff = settings::time_cutoff[static_cast<int>(type())];
+  if (time() > time_cutoff) {
+    double dt = time() - time_cutoff;
+    time() = time_cutoff;
+
+    double push_back_distance = speed() * dt;
+    this->move_distance(-push_back_distance);
+    hit_time_boundary = true;
+  }
+
   // Score track-length tallies
   if (!model::active_tracklength_tallies.empty()) {
     score_tracklength_tally(*this, distance);
@@ -223,6 +244,11 @@ void Particle::event_advance()
   if (!model::active_tallies.empty()) {
     score_track_derivative(*this, distance);
   }
+
+  // Set particle weight to zero if it hit the time boundary
+  if (hit_time_boundary) {
+    wgt() = 0.0;
+  }
 }
 
 void Particle::event_cross_surface()
diff --git a/src/settings.cpp b/src/settings.cpp
index ace2887a6..ac56320e8 100644
--- a/src/settings.cpp
+++ b/src/settings.cpp
@@ -96,6 +96,7 @@ int64_t max_particles_in_flight {100000};
 
 ElectronTreatment electron_treatment {ElectronTreatment::TTB};
 array<double, 4> energy_cutoff {0.0, 1000.0, 0.0, 0.0};
+array<double, 4> time_cutoff {INFTY, INFTY, INFTY, INFTY};
 int legendre_to_tabular_points {C_NONE};
 int max_order {0};
 int n_log_bins {8000};
@@ -540,6 +541,18 @@ void read_settings_xml(pugi::xml_node root)
       energy_cutoff[3] =
         std::stod(get_node_value(node_cutoff, "energy_positron"));
     }
+    if (check_for_node(node_cutoff, "time_neutron")) {
+      time_cutoff[0] = std::stod(get_node_value(node_cutoff, "time_neutron"));
+    }
+    if (check_for_node(node_cutoff, "time_photon")) {
+      time_cutoff[1] = std::stod(get_node_value(node_cutoff, "time_photon"));
+    }
+    if (check_for_node(node_cutoff, "time_electron")) {
+      time_cutoff[2] = std::stod(get_node_value(node_cutoff, "time_electron"));
+    }
+    if (check_for_node(node_cutoff, "time_positron")) {
+      time_cutoff[3] = std::stod(get_node_value(node_cutoff, "time_positron"));
+    }
   }
 
   // Particle trace
diff --git a/tests/regression_tests/time_cutoff/__init__.py b/tests/regression_tests/time_cutoff/__init__.py
new file mode 100644
index 000000000..e69de29bb
diff --git a/tests/regression_tests/time_cutoff/inputs_true.dat b/tests/regression_tests/time_cutoff/inputs_true.dat
new file mode 100644
index 000000000..7d3e94f50
--- /dev/null
+++ b/tests/regression_tests/time_cutoff/inputs_true.dat
@@ -0,0 +1,34 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+  </materials>
+  <geometry>
+    <cell id="1" material="void" region="-1" universe="1"/>
+    <surface boundary="vacuum" coeffs="0.0 0.0 0.0 200" id="1" type="sphere"/>
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>100</particles>
+    <batches>10</batches>
+    <source particle="neutron" strength="1.0" type="independent">
+      <space type="point">
+        <parameters>0.0 0.0 0.0</parameters>
+      </space>
+      <energy type="discrete">
+        <parameters>10000.0 1.0</parameters>
+      </energy>
+    </source>
+    <cutoff>
+      <time_neutron>1e-07</time_neutron>
+    </cutoff>
+  </settings>
+  <tallies>
+    <filter id="1" type="time">
+      <bins>0.0 1e-07 2e-07</bins>
+    </filter>
+    <tally id="1">
+      <filters>1</filters>
+      <scores>flux</scores>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/time_cutoff/results_true.dat b/tests/regression_tests/time_cutoff/results_true.dat
new file mode 100644
index 000000000..1cafceb77
--- /dev/null
+++ b/tests/regression_tests/time_cutoff/results_true.dat
@@ -0,0 +1,5 @@
+tally 1:
+2.000000E+03
+4.000000E+05
+0.000000E+00
+0.000000E+00
diff --git a/tests/regression_tests/time_cutoff/test.py b/tests/regression_tests/time_cutoff/test.py
new file mode 100755
index 000000000..8e13d57b7
--- /dev/null
+++ b/tests/regression_tests/time_cutoff/test.py
@@ -0,0 +1,42 @@
+import openmc
+import pytest
+
+from tests.testing_harness import PyAPITestHarness
+
+
+@pytest.fixture
+def time_model():
+    model = openmc.Model()
+    time_cutoff = 1e-7
+
+    # A single sphere
+    s1 = openmc.Sphere(r=200, boundary_type='vacuum')
+    sphere = openmc.Cell()
+    sphere.region = -s1
+    model.geometry = openmc.Geometry([sphere])
+
+    # Set the running parameters
+    settings_file = openmc.Settings()
+    settings_file.run_mode = 'fixed source'
+    settings_file.batches = 10
+    settings_file.particles = 100
+    settings_file.cutoff = {'time_neutron': time_cutoff}
+    settings_file.source = openmc.source.Source(space=openmc.stats.Point(),
+                                                energy=openmc.stats.Discrete([1e4], [1]))
+    model.settings = settings_file
+
+    # Tally flux under time cutoff
+    tallies = openmc.Tallies()
+    tally = openmc.Tally()
+    tally.scores = ['flux']
+    time_filter = openmc.TimeFilter([0, time_cutoff, 2*time_cutoff])
+    tally.filters = [time_filter]
+    tallies.append(tally)
+    model.tallies = tallies
+
+    return model
+
+
+def test_time_cutoff(time_model):
+    harness = PyAPITestHarness('statepoint.10.h5', time_model)
+    harness.main()
diff --git a/tests/unit_tests/test_settings.py b/tests/unit_tests/test_settings.py
index 79f2038b2..4b2cc1824 100644
--- a/tests/unit_tests/test_settings.py
+++ b/tests/unit_tests/test_settings.py
@@ -27,7 +27,9 @@ def test_export_to_xml(run_in_tmpdir):
     s.survival_biasing = True
     s.cutoff = {'weight': 0.25, 'weight_avg': 0.5, 'energy_neutron': 1.0e-5,
                 'energy_photon': 1000.0, 'energy_electron': 1.0e-5,
-                'energy_positron': 1.0e-5}
+                'energy_positron': 1.0e-5, 'time_neutron': 1.0e-5, 
+                'time_photon': 1.0e-5, 'time_electron': 1.0e-5, 
+                'time_positron': 1.0e-5}
     mesh = openmc.RegularMesh()
     mesh.lower_left = (-10., -10., -10.)
     mesh.upper_right = (10., 10., 10.)
@@ -88,7 +90,9 @@ def test_export_to_xml(run_in_tmpdir):
     assert s.survival_biasing
     assert s.cutoff == {'weight': 0.25, 'weight_avg': 0.5,
                         'energy_neutron': 1.0e-5, 'energy_photon': 1000.0,
-                        'energy_electron': 1.0e-5, 'energy_positron': 1.0e-5}
+                        'energy_electron': 1.0e-5, 'energy_positron': 1.0e-5,
+                        'time_neutron': 1.0e-5, 'time_photon': 1.0e-5, 
+                        'time_electron': 1.0e-5, 'time_positron': 1.0e-5}
     assert isinstance(s.entropy_mesh, openmc.RegularMesh)
     assert s.entropy_mesh.lower_left == [-10., -10., -10.]
     assert s.entropy_mesh.upper_right == [10., 10., 10.]

From 8e77a1ffb60de4f1f63dce319f2bc7fb818462a7 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Sat, 19 Aug 2023 20:35:20 -0500
Subject: [PATCH 1921/2654] Expose universe plotting for the cell class (#2648)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/cell.py | 61 ++++++++++++++++++++++++++++++++++++++++++++++++++
 1 file changed, 61 insertions(+)

diff --git a/openmc/cell.py b/openmc/cell.py
index fa74dff4a..8572a640d 100644
--- a/openmc/cell.py
+++ b/openmc/cell.py
@@ -559,6 +559,67 @@ class Cell(IDManagerMixin):
 
         return memo[self]
 
+    def plot(self, *args, **kwargs):
+        """Display a slice plot of the cell.
+
+        .. versionadded:: 0.13.4
+
+        Parameters
+        ----------
+        origin : iterable of float
+            Coordinates at the origin of the plot. If left as None then the
+            bounding box center will be used to attempt to ascertain the origin.
+            Defaults to (0, 0, 0) if the bounding box is not finite
+        width : iterable of float
+            Width of the plot in each basis direction. If left as none then the
+            bounding box width will be used to attempt to ascertain the plot
+            width. Defaults to (10, 10) if the bounding box is not finite
+        pixels : Iterable of int or int
+            If iterable of ints provided, then this directly sets the number of
+            pixels to use in each basis direction. If int provided, then this
+            sets the total number of pixels in the plot and the number of pixels
+            in each basis direction is calculated from this total and the image
+            aspect ratio.
+        basis : {'xy', 'xz', 'yz'}
+            The basis directions for the plot
+        color_by : {'cell', 'material'}
+            Indicate whether the plot should be colored by cell or by material
+        colors : dict
+            Assigns colors to specific materials or cells. Keys are instances of
+            :class:`Cell` or :class:`Material` and values are RGB 3-tuples, RGBA
+            4-tuples, or strings indicating SVG color names. Red, green, blue,
+            and alpha should all be floats in the range [0.0, 1.0], for example:
+
+            .. code-block:: python
+
+               # Make water blue
+               water = openmc.Cell(fill=h2o)
+               universe.plot(..., colors={water: (0., 0., 1.))
+        seed : int
+            Seed for the random number generator
+        openmc_exec : str
+            Path to OpenMC executable.
+        axes : matplotlib.Axes
+            Axes to draw to
+        legend : bool
+            Whether a legend showing material or cell names should be drawn
+        legend_kwargs : dict
+            Keyword arguments passed to :func:`matplotlib.pyplot.legend`.
+        outline : bool
+            Whether outlines between color boundaries should be drawn
+        axis_units : {'km', 'm', 'cm', 'mm'}
+            Units used on the plot axis
+        **kwargs
+            Keyword arguments passed to :func:`matplotlib.pyplot.imshow`
+
+        Returns
+        -------
+        matplotlib.axes.Axes
+            Axes containing resulting image
+
+        """
+        return openmc.Universe(cells=[self]).plot(*args, **kwargs)
+
     def create_xml_subelement(self, xml_element, memo=None):
         """Add the cell's xml representation to an incoming xml element
 

From d687ce419f6fb7ea33fc4ab5cbfc08f32f15a1fd Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Sun, 20 Aug 2023 21:29:20 +0100
Subject: [PATCH 1922/2654] added cell name to vol calc print out (#2656)

---
 src/volume_calc.cpp | 14 +++++++++-----
 1 file changed, 9 insertions(+), 5 deletions(-)

diff --git a/src/volume_calc.cpp b/src/volume_calc.cpp
index b58da4750..8949d5c20 100644
--- a/src/volume_calc.cpp
+++ b/src/volume_calc.cpp
@@ -534,16 +534,20 @@ int openmc_calculate_volumes()
 
       // Display domain volumes
       for (int j = 0; j < vol_calc.domain_ids_.size(); j++) {
-        std::string cell_name {""};
+        std::string region_name {""};
         if (vol_calc.domain_type_ == VolumeCalculation::TallyDomain::CELL) {
           int cell_idx = model::cell_map[vol_calc.domain_ids_[j]];
-          cell_name = model::cells[cell_idx]->name();
-          if (cell_name.size())
-            cell_name.insert(0, " "); // prepend space for formatting
+          region_name = model::cells[cell_idx]->name();
+        } else if (vol_calc.domain_type_ ==
+                   VolumeCalculation::TallyDomain::MATERIAL) {
+          int mat_idx = model::material_map[vol_calc.domain_ids_[j]];
+          region_name = model::materials[mat_idx]->name();
         }
+        if (region_name.size())
+          region_name.insert(0, " "); // prepend space for formatting
 
         write_message(4, "{}{}{}: {} +/- {} cm^3", domain_type,
-          vol_calc.domain_ids_[j], cell_name, results[j].volume[0],
+          vol_calc.domain_ids_[j], region_name, results[j].volume[0],
           results[j].volume[1]);
       }
 

From ffbf1b9917ab9b3f6a2e414c3bd1ef62385a1fcf Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Tue, 22 Aug 2023 14:45:40 +0100
Subject: [PATCH 1923/2654] Expose universe plotting for the geometry class 
 (#2661)

---
 openmc/geometry.py | 58 ++++++++++++++++++++++++++++++++++++++++++++++
 1 file changed, 58 insertions(+)

diff --git a/openmc/geometry.py b/openmc/geometry.py
index 165b7f1a2..82a3fe61c 100644
--- a/openmc/geometry.py
+++ b/openmc/geometry.py
@@ -734,3 +734,61 @@ class Geometry:
         clone = deepcopy(self)
         clone.root_universe = self.root_universe.clone()
         return clone
+
+    def plot(self, *args, **kwargs):
+        """Display a slice plot of the geometry.
+
+        .. versionadded:: 0.13.4
+
+        Parameters
+        ----------
+        origin : iterable of float
+            Coordinates at the origin of the plot. If left as None then the
+            bounding box center will be used to attempt to ascertain the origin.
+            Defaults to (0, 0, 0) if the bounding box is not finite
+        width : iterable of float
+            Width of the plot in each basis direction. If left as none then the
+            bounding box width will be used to attempt to ascertain the plot
+            width. Defaults to (10, 10) if the bounding box is not finite
+        pixels : Iterable of int or int
+            If iterable of ints provided, then this directly sets the number of
+            pixels to use in each basis direction. If int provided, then this
+            sets the total number of pixels in the plot and the number of pixels
+            in each basis direction is calculated from this total and the image
+            aspect ratio.
+        basis : {'xy', 'xz', 'yz'}
+            The basis directions for the plot
+        color_by : {'cell', 'material'}
+            Indicate whether the plot should be colored by cell or by material
+        colors : dict
+            Assigns colors to specific materials or cells. Keys are instances of
+            :class:`Cell` or :class:`Material` and values are RGB 3-tuples, RGBA
+            4-tuples, or strings indicating SVG color names. Red, green, blue,
+            and alpha should all be floats in the range [0.0, 1.0], for example:
+            .. code-block:: python
+               # Make water blue
+               water = openmc.Cell(fill=h2o)
+               universe.plot(..., colors={water: (0., 0., 1.))
+        seed : int
+            Seed for the random number generator
+        openmc_exec : str
+            Path to OpenMC executable.
+        axes : matplotlib.Axes
+            Axes to draw to
+        legend : bool
+            Whether a legend showing material or cell names should be drawn
+        legend_kwargs : dict
+            Keyword arguments passed to :func:`matplotlib.pyplot.legend`.
+        outline : bool
+            Whether outlines between color boundaries should be drawn
+        axis_units : {'km', 'm', 'cm', 'mm'}
+            Units used on the plot axis
+        **kwargs
+            Keyword arguments passed to :func:`matplotlib.pyplot.imshow`
+        Returns
+        -------
+        matplotlib.axes.Axes
+            Axes containing resulting image
+        """
+
+        return self.root_universe.plot(*args, **kwargs)

From 06d64370c81d2d3abcd6a7009b4717a9ef86054a Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 24 Aug 2023 17:08:15 -0500
Subject: [PATCH 1924/2654] Tweaks to Universe::find_cell (#2662)

---
 src/dagmc.cpp                        | 28 ++++++++++++++++------------
 src/geometry.cpp                     | 16 ++++++++--------
 src/particle.cpp                     | 12 ++++++------
 src/plot.cpp                         | 11 +++++------
 src/tallies/filter_cell_instance.cpp |  2 +-
 src/universe.cpp                     | 17 ++++++++---------
 6 files changed, 44 insertions(+), 42 deletions(-)

diff --git a/src/dagmc.cpp b/src/dagmc.cpp
index 4d63f0892..35522d3ca 100644
--- a/src/dagmc.cpp
+++ b/src/dagmc.cpp
@@ -182,10 +182,11 @@ void DAGUniverse::init_geometry()
       model::cell_map[c->id_] = model::cells.size();
     } else {
       warning(fmt::format("DAGMC Cell IDs: {}", dagmc_ids_for_dim(3)));
-      fatal_error(fmt::format("DAGMC Universe {} contains a cell with ID {}, which "
-                              "already exists elsewhere in the geometry. Setting auto_geom_ids "
-                              "to True when initiating the DAGMC Universe may "
-                              "resolve this issue",
+      fatal_error(fmt::format(
+        "DAGMC Universe {} contains a cell with ID {}, which "
+        "already exists elsewhere in the geometry. Setting auto_geom_ids "
+        "to True when initiating the DAGMC Universe may "
+        "resolve this issue",
         this->id_, c->id_));
     }
 
@@ -395,7 +396,7 @@ bool DAGUniverse::find_cell(Particle& p) const
   // cells, place it in the implicit complement
   bool found = Universe::find_cell(p);
   if (!found && model::universe_map[this->id_] != model::root_universe) {
-    p.coord(p.n_coord() - 1).cell = implicit_complement_idx();
+    p.lowest_coord().cell = implicit_complement_idx();
     found = true;
   }
   return found;
@@ -581,7 +582,7 @@ std::pair<double, int32_t> DAGCell::distance(
     p->history().reset();
   }
 
-  const auto& univ = model::universes[p->coord(p->n_coord() - 1).universe];
+  const auto& univ = model::universes[p->lowest_coord().universe];
 
   DAGUniverse* dag_univ = static_cast<DAGUniverse*>(univ.get());
   if (!dag_univ)
@@ -609,7 +610,8 @@ std::pair<double, int32_t> DAGCell::distance(
     // into the implicit complement on the other side where no intersection will
     // be found. Treating this as a lost particle is problematic when plotting.
     // Instead, the infinite distance and invalid surface index are returned.
-    if (settings::run_mode == RunMode::PLOTTING) return {INFTY, -1};
+    if (settings::run_mode == RunMode::PLOTTING)
+      return {INFTY, -1};
 
     // the particle should be marked as lost immediately if an intersection
     // isn't found in a volume that is not the implicit complement. In the case
@@ -739,7 +741,8 @@ void check_dagmc_root_univ()
   }
 }
 
-int32_t next_cell(int32_t surf, int32_t curr_cell, int32_t univ) {
+int32_t next_cell(int32_t surf, int32_t curr_cell, int32_t univ)
+{
   auto surfp = dynamic_cast<DAGSurface*>(model::surfaces[surf - 1].get());
   auto cellp = dynamic_cast<DAGCell*>(model::cells[curr_cell].get());
   auto univp = static_cast<DAGUniverse*>(model::universes[univ].get());
@@ -750,11 +753,12 @@ int32_t next_cell(int32_t surf, int32_t curr_cell, int32_t univ) {
     cellp->dagmc_ptr()->entity_by_index(3, cellp->dag_index());
 
   moab::EntityHandle new_vol;
-  moab::ErrorCode rval = cellp->dagmc_ptr()->next_vol(surf_handle, curr_vol, new_vol);
-  if (rval != moab::MB_SUCCESS) return -1;
+  moab::ErrorCode rval =
+    cellp->dagmc_ptr()->next_vol(surf_handle, curr_vol, new_vol);
+  if (rval != moab::MB_SUCCESS)
+    return -1;
 
-  return cellp->dagmc_ptr()->index_by_handle(new_vol) +
-         univp->cell_idx_offset_;
+  return cellp->dagmc_ptr()->index_by_handle(new_vol) + univp->cell_idx_offset_;
 }
 
 } // namespace openmc
diff --git a/src/geometry.cpp b/src/geometry.cpp
index 29ca8b1bf..5e015c1bc 100644
--- a/src/geometry.cpp
+++ b/src/geometry.cpp
@@ -110,7 +110,7 @@ bool find_cell_inner(Particle& p, const NeighborList* neighbor_list)
       i_cell = *it;
 
       // Make sure the search cell is in the same universe.
-      int i_universe = p.coord(p.n_coord() - 1).universe;
+      int i_universe = p.lowest_coord().universe;
       if (model::cells[i_cell]->universe_ != i_universe)
         continue;
 
@@ -119,7 +119,7 @@ bool find_cell_inner(Particle& p, const NeighborList* neighbor_list)
       Direction u {p.u_local()};
       auto surf = p.surface();
       if (model::cells[i_cell]->contains(r, u, surf)) {
-        p.coord(p.n_coord() - 1).cell = i_cell;
+        p.lowest_coord().cell = i_cell;
         found = true;
         break;
       }
@@ -145,7 +145,7 @@ bool find_cell_inner(Particle& p, const NeighborList* neighbor_list)
     // code below this conditional, we set i_cell back to C_NONE to indicate
     // that.
     if (i_cell == C_NONE) {
-      int i_universe = p.coord(p.n_coord() - 1).universe;
+      int i_universe = p.lowest_coord().universe;
       const auto& univ {model::universes[i_universe]};
       found = univ->find_cell(p);
     }
@@ -153,7 +153,7 @@ bool find_cell_inner(Particle& p, const NeighborList* neighbor_list)
     if (!found) {
       return found;
     }
-    i_cell = p.coord(p.n_coord() - 1).cell;
+    i_cell = p.lowest_coord().cell;
 
     // Announce the cell that the particle is entering.
     if (found && (settings::verbosity >= 10 || p.trace())) {
@@ -289,7 +289,7 @@ bool neighbor_list_find_cell(Particle& p)
 
 bool exhaustive_find_cell(Particle& p)
 {
-  int i_universe = p.coord(p.n_coord() - 1).universe;
+  int i_universe = p.lowest_coord().universe;
   if (i_universe == C_NONE) {
     p.coord(0).universe = model::root_universe;
     p.n_coord() = 1;
@@ -306,7 +306,7 @@ bool exhaustive_find_cell(Particle& p)
 
 void cross_lattice(Particle& p, const BoundaryInfo& boundary)
 {
-  auto& coord {p.coord(p.n_coord() - 1)};
+  auto& coord {p.lowest_coord()};
   auto& lat {*model::lattices[coord.lattice]};
 
   if (settings::verbosity >= 10 || p.trace()) {
@@ -344,7 +344,7 @@ void cross_lattice(Particle& p, const BoundaryInfo& boundary)
 
   } else {
     // Find cell in next lattice element.
-    p.coord(p.n_coord() - 1).universe = lat[coord.lattice_i];
+    p.lowest_coord().universe = lat[coord.lattice_i];
     bool found = exhaustive_find_cell(p);
 
     if (!found) {
@@ -472,7 +472,7 @@ extern "C" int openmc_find_cell(
     return OPENMC_E_GEOMETRY;
   }
 
-  *index = p.coord(p.n_coord() - 1).cell;
+  *index = p.lowest_coord().cell;
   *instance = p.cell_instance();
   return 0;
 }
diff --git a/src/particle.cpp b/src/particle.cpp
index a40ea7024..ceef073c4 100644
--- a/src/particle.cpp
+++ b/src/particle.cpp
@@ -147,7 +147,7 @@ void Particle::event_calculate_xs()
   // If the cell hasn't been determined based on the particle's location,
   // initiate a search for the current cell. This generally happens at the
   // beginning of the history and again for any secondary particles
-  if (coord(n_coord() - 1).cell == C_NONE) {
+  if (lowest_coord().cell == C_NONE) {
     if (!exhaustive_find_cell(*this)) {
       mark_as_lost(
         "Could not find the cell containing particle " + std::to_string(id()));
@@ -156,7 +156,7 @@ void Particle::event_calculate_xs()
 
     // Set birth cell attribute
     if (cell_born() == C_NONE)
-      cell_born() = coord(n_coord() - 1).cell;
+      cell_born() = lowest_coord().cell;
   }
 
   // Write particle track.
@@ -392,7 +392,7 @@ void Particle::event_revive_from_secondary()
       // Since the birth cell of the particle has not been set we
       // have to determine it before the energy of the secondary particle can be
       // removed from the pulse-height of this cell.
-      if (coord(n_coord() - 1).cell == C_NONE) {
+      if (lowest_coord().cell == C_NONE) {
         if (!exhaustive_find_cell(*this)) {
           mark_as_lost("Could not find the cell containing particle " +
                        std::to_string(id()));
@@ -400,7 +400,7 @@ void Particle::event_revive_from_secondary()
         }
         // Set birth cell attribute
         if (cell_born() == C_NONE)
-          cell_born() = coord(n_coord() - 1).cell;
+          cell_born() = lowest_coord().cell;
       }
       pht_secondary_particles();
     }
@@ -456,7 +456,7 @@ void Particle::pht_collision_energy()
 
   // determine index of cell in pulse_height_cells
   auto it = std::find(model::pulse_height_cells.begin(),
-    model::pulse_height_cells.end(), coord(n_coord() - 1).cell);
+    model::pulse_height_cells.end(), lowest_coord().cell);
 
   if (it != model::pulse_height_cells.end()) {
     int index = std::distance(model::pulse_height_cells.begin(), it);
@@ -535,7 +535,7 @@ void Particle::cross_surface()
     material_last() = material();
     sqrtkT_last() = sqrtkT();
     // set new cell value
-    coord(n_coord() - 1).cell = i_cell;
+    lowest_coord().cell = i_cell;
     cell_instance() = 0;
     material() = model::cells[i_cell]->material_[0];
     sqrtkT() = model::cells[i_cell]->sqrtkT_[0];
diff --git a/src/plot.cpp b/src/plot.cpp
index 3bcae05ac..e2f07c47c 100644
--- a/src/plot.cpp
+++ b/src/plot.cpp
@@ -58,7 +58,7 @@ void IdData::set_value(size_t y, size_t x, const Particle& p, int level)
   }
 
   // set material data
-  Cell* c = model::cells.at(p.coord(p.n_coord() - 1).cell).get();
+  Cell* c = model::cells.at(p.lowest_coord().cell).get();
   if (p.material() == MATERIAL_VOID) {
     data_(y, x, 2) = MATERIAL_VOID;
     return;
@@ -79,7 +79,7 @@ PropertyData::PropertyData(size_t h_res, size_t v_res)
 
 void PropertyData::set_value(size_t y, size_t x, const Particle& p, int level)
 {
-  Cell* c = model::cells.at(p.coord(p.n_coord() - 1).cell).get();
+  Cell* c = model::cells.at(p.lowest_coord().cell).get();
   data_(y, x, 0) = (p.sqrtkT() * p.sqrtkT()) / K_BOLTZMANN;
   if (c->type_ != Fill::UNIVERSE && p.material() != MATERIAL_VOID) {
     Material* m = model::materials.at(p.material()).get();
@@ -1327,9 +1327,8 @@ void ProjectionPlot::create_output() const
               // edges on the model boundary for the same cell.
               if (first_inside_model) {
                 this_line_segments[tid][horiz].emplace_back(
-                  color_by_ == PlotColorBy::mats
-                    ? p.material()
-                    : p.coord(p.n_coord() - 1).cell,
+                  color_by_ == PlotColorBy::mats ? p.material()
+                                                 : p.lowest_coord().cell,
                   0.0, first_surface);
                 first_inside_model = false;
               }
@@ -1339,7 +1338,7 @@ void ProjectionPlot::create_output() const
               auto dist = distance_to_boundary(p);
               this_line_segments[tid][horiz].emplace_back(
                 color_by_ == PlotColorBy::mats ? p.material()
-                                               : p.coord(p.n_coord() - 1).cell,
+                                               : p.lowest_coord().cell,
                 dist.distance, std::abs(dist.surface_index));
 
               // Advance particle
diff --git a/src/tallies/filter_cell_instance.cpp b/src/tallies/filter_cell_instance.cpp
index 59f28c7d6..3e78a5bbe 100644
--- a/src/tallies/filter_cell_instance.cpp
+++ b/src/tallies/filter_cell_instance.cpp
@@ -72,7 +72,7 @@ void CellInstanceFilter::set_cell_instances(gsl::span<CellInstance> instances)
 void CellInstanceFilter::get_all_bins(
   const Particle& p, TallyEstimator estimator, FilterMatch& match) const
 {
-  gsl::index index_cell = p.coord(p.n_coord() - 1).cell;
+  gsl::index index_cell = p.lowest_coord().cell;
   gsl::index instance = p.cell_instance();
 
   if (cells_.count(index_cell) > 0) {
diff --git a/src/universe.cpp b/src/universe.cpp
index f8f9a82d8..67e1d1354 100644
--- a/src/universe.cpp
+++ b/src/universe.cpp
@@ -41,18 +41,17 @@ bool Universe::find_cell(Particle& p) const
   const auto& cells {
     !partitioner_ ? cells_ : partitioner_->get_cells(p.r_local(), p.u_local())};
 
-  for (auto it = cells.begin(); it != cells.end(); it++) {
-    int32_t i_cell = *it;
-    int32_t i_univ = p.coord(p.n_coord() - 1).universe;
+  Position r {p.r_local()};
+  Position u {p.u_local()};
+  auto surf = p.surface();
+  int32_t i_univ = p.lowest_coord().universe;
+
+  for (auto i_cell : cells) {
     if (model::cells[i_cell]->universe_ != i_univ)
       continue;
-
-    // Check if this cell contains the particle;
-    Position r {p.r_local()};
-    Direction u {p.u_local()};
-    auto surf = p.surface();
+    // Check if this cell contains the particle
     if (model::cells[i_cell]->contains(r, u, surf)) {
-      p.coord(p.n_coord() - 1).cell = i_cell;
+      p.lowest_coord().cell = i_cell;
       return true;
     }
   }

From eea52238dac0162a8b7924b81800af4a3c78798e Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 25 Aug 2023 13:04:16 -0500
Subject: [PATCH 1925/2654] Always set html_theme in readthedocs configuration
 (#2667)

---
 docs/source/conf.py | 7 +++----
 1 file changed, 3 insertions(+), 4 deletions(-)

diff --git a/docs/source/conf.py b/docs/source/conf.py
index 8dbbfc6d4..dc5acd5f6 100644
--- a/docs/source/conf.py
+++ b/docs/source/conf.py
@@ -120,10 +120,9 @@ pygments_style = 'tango'
 # -- Options for HTML output ---------------------------------------------------
 
 # The theme to use for HTML and HTML Help pages
-if not on_rtd:
-    import sphinx_rtd_theme
-    html_theme = 'sphinx_rtd_theme'
-    html_theme_path = [sphinx_rtd_theme.get_html_theme_path()]
+import sphinx_rtd_theme
+html_theme = 'sphinx_rtd_theme'
+html_theme_path = [sphinx_rtd_theme.get_html_theme_path()]
 
 html_logo = '_images/openmc_logo.png'
 

From c93feed91f6f77714fab708fe16aeef7e0a526a4 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 31 Aug 2023 09:52:24 -0500
Subject: [PATCH 1926/2654] Account for integral of underlying distributions
 when sampling Mixture (#2658)

---
 include/openmc/distribution.h | 17 +++++++++++++++--
 src/distribution.cpp          | 29 ++++++++++++++++++-----------
 2 files changed, 33 insertions(+), 13 deletions(-)

diff --git a/include/openmc/distribution.h b/include/openmc/distribution.h
index 03b046bbb..65c68ad64 100644
--- a/include/openmc/distribution.h
+++ b/include/openmc/distribution.h
@@ -22,6 +22,10 @@ class Distribution {
 public:
   virtual ~Distribution() = default;
   virtual double sample(uint64_t* seed) const = 0;
+
+  //! Return integral of distribution
+  //! \return Integral of distribution
+  virtual double integral() const { return 1.0; };
 };
 
 using UPtrDist = unique_ptr<Distribution>;
@@ -51,11 +55,13 @@ public:
   // Properties
   const vector<double>& prob() const { return prob_; }
   const vector<size_t>& alias() const { return alias_; }
+  double integral() const { return integral_; }
 
 private:
   vector<double> prob_; //!< Probability of accepting the uniformly sampled bin,
                         //!< mapped to alias method table
   vector<size_t> alias_; //!< Alias table
+  double integral_;      //!< Integral of distribution
 
   //! Normalize distribution so that probabilities sum to unity
   void normalize();
@@ -78,6 +84,8 @@ public:
   //! \return Sampled value
   double sample(uint64_t* seed) const override;
 
+  double integral() const override { return di_.integral(); };
+
   // Properties
   const vector<double>& x() const { return x_; }
   const vector<double>& prob() const { return di_.prob(); }
@@ -219,17 +227,19 @@ public:
   //! \return Sampled value
   double sample(uint64_t* seed) const override;
 
-  // x property
+  // properties
   vector<double>& x() { return x_; }
   const vector<double>& x() const { return x_; }
   const vector<double>& p() const { return p_; }
   Interpolation interp() const { return interp_; }
+  double integral() const override { return integral_; };
 
 private:
   vector<double> x_;     //!< tabulated independent variable
   vector<double> p_;     //!< tabulated probability density
   vector<double> c_;     //!< cumulative distribution at tabulated values
   Interpolation interp_; //!< interpolation rule
+  double integral_;      //!< Integral of distribution
 
   //! Initialize tabulated probability density function
   //! \param x Array of values for independent variable
@@ -272,12 +282,15 @@ public:
   //! \return Sampled value
   double sample(uint64_t* seed) const override;
 
+  double integral() const override { return integral_; }
+
 private:
   // Storrage for probability + distribution
   using DistPair = std::pair<double, UPtrDist>;
 
   vector<DistPair>
-    distribution_; //!< sub-distributions + cummulative probabilities
+    distribution_;  //!< sub-distributions + cummulative probabilities
+  double integral_; //!< integral of distribution
 };
 
 } // namespace openmc
diff --git a/src/distribution.cpp b/src/distribution.cpp
index 10d404c10..9c76147ee 100644
--- a/src/distribution.cpp
+++ b/src/distribution.cpp
@@ -104,10 +104,12 @@ size_t DiscreteIndex::sample(uint64_t* seed) const
 
 void DiscreteIndex::normalize()
 {
-  // Renormalize density function so that it sums to unity
-  double norm = std::accumulate(prob_.begin(), prob_.end(), 0.0);
+  // Renormalize density function so that it sums to unity. Note that we save
+  // the integral of the distribution so that if it is used as part of another
+  // distribution (e.g., Mixture), we know its relative strength.
+  integral_ = std::accumulate(prob_.begin(), prob_.end(), 0.0);
   for (auto& p_i : prob_) {
-    p_i /= norm;
+    p_i /= integral_;
   }
 }
 
@@ -300,10 +302,13 @@ void Tabular::init(
     }
   }
 
-  // Normalize density and distribution functions
+  // Normalize density and distribution functions. Note that we save the
+  // integral of the distribution so that if it is used as part of another
+  // distribution (e.g., Mixture), we know its relative strength.
+  integral_ = c_[n - 1];
   for (int i = 0; i < n; ++i) {
-    p_[i] = p_[i] / c_[n - 1];
-    c_[i] = c_[i] / c_[n - 1];
+    p_[i] = p_[i] / integral_;
+    c_[i] = c_[i] / integral_;
   }
 }
 
@@ -379,12 +384,14 @@ Mixture::Mixture(pugi::xml_node node)
     if (!pair.child("dist"))
       fatal_error("Mixture pair element does not have a distribution.");
 
-    // cummulative sum of probybilities
-    cumsum += std::stod(pair.attribute("probability").value());
+    // cummulative sum of probabilities
+    double p = std::stod(pair.attribute("probability").value());
 
-    // Save cummulative probybility and distrubution
-    distribution_.push_back(
-      std::make_pair(cumsum, distribution_from_xml(pair.child("dist"))));
+    // Save cummulative probability and distribution
+    auto dist = distribution_from_xml(pair.child("dist"));
+    cumsum += p * dist->integral();
+
+    distribution_.push_back(std::make_pair(cumsum, std::move(dist)));
   }
 
   // Normalize cummulative probabilities to 1

From d21b653d32fa81b1965a9136d6a61c436502b119 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 31 Aug 2023 09:55:21 -0500
Subject: [PATCH 1927/2654] Refactor MicroXS class and usage in
 IndependentOperator (#2595)

Co-authored-by: Jonathan Shimwell <drshimwell@gmail.com>
Co-authored-by: Olek <45364492+yardasol@users.noreply.github.com>
---
 docs/source/pythonapi/deplete.rst             |  10 +
 docs/source/usersguide/depletion.rst          | 149 ++++----
 openmc/deplete/helpers.py                     |   8 +-
 openmc/deplete/independent_operator.py        |  77 ++--
 openmc/deplete/microxs.py                     | 358 ++++++++++--------
 openmc/deplete/openmc_operator.py             |  15 +-
 openmc/deplete/reaction_rates.py              |   6 +
 tests/micro_xs_simple.csv                     |  38 +-
 .../deplete_no_transport/test.py              |  37 +-
 tests/regression_tests/microxs/test.py        |  10 +-
 .../microxs/test_reference.csv                |  38 +-
 .../unit_tests/test_deplete_decay_products.py |   6 +-
 .../test_deplete_independent_operator.py      |  12 +-
 tests/unit_tests/test_deplete_microxs.py      |   9 +-
 14 files changed, 447 insertions(+), 326 deletions(-)

diff --git a/docs/source/pythonapi/deplete.rst b/docs/source/pythonapi/deplete.rst
index dc9370ab5..8731a9a13 100644
--- a/docs/source/pythonapi/deplete.rst
+++ b/docs/source/pythonapi/deplete.rst
@@ -57,6 +57,16 @@ The :class:`CoupledOperator` and :class:`IndependentOperator` classes must also
 have some knowledge of how nuclides transmute and decay. This is handled by the
 :class:`Chain` class.
 
+The :class:`IndependentOperator` class requires a set of fluxes and microscopic
+cross sections. The following function can be used to generate this information:
+
+.. autosummary::
+   :toctree: generated
+   :nosignatures:
+   :template: myfunction.rst
+
+   get_microxs_and_flux
+
 Minimal Example
 ---------------
 
diff --git a/docs/source/usersguide/depletion.rst b/docs/source/usersguide/depletion.rst
index 439e30305..261900ce6 100644
--- a/docs/source/usersguide/depletion.rst
+++ b/docs/source/usersguide/depletion.rst
@@ -197,43 +197,54 @@ across all material instances.
 Transport-independent depletion
 ===============================
 
-.. warning::
+This category of operator uses multigroup microscopic cross sections along with
+multigroup flux spectra to obtain transmutation reaction rates. The cross
+sections are pre-calculated, so there is no need for direct coupling between a
+transport-independent operator and a transport solver. The :mod:`openmc.deplete`
+module offers a single transport-independent operator,
+:class:`~openmc.deplete.IndependentOperator`, and only one operator is needed
+since, in theory, any transport code could calculate the multigroup microscopic
+cross sections. The :class:`~openmc.deplete.IndependentOperator` class has two
+constructors. The default constructor requires a :class:`openmc.Materials`
+instance, a list of multigroup flux arrays, and a list of
+:class:`~openmc.deplete.MicroXS` instances containing multigroup microscopic
+cross sections in units of barns. This might look like the following::
 
-   This feature is still under heavy development and has yet to be rigorously
-   verified. API changes and feature additions are possible and likely in
-   the near future.
-
-This category of operator uses one-group microscopic cross sections to obtain
-transmutation reaction rates. The cross sections are pre-calculated, so there is
-no need for direct coupling between a transport-independent operator and a
-transport solver. The :mod:`openmc.deplete` module offers a single
-transport-independent operator, :class:`~openmc.deplete.IndependentOperator`,
-and only one operator is needed since, in theory, any transport code could
-calcuate the one-group microscopic cross sections.
-
-The :class:`~openmc.deplete.IndependentOperator` class has two constructors.
-The default constructor requires a :class:`openmc.Materials` instance, a
-:class:`~openmc.deplete.MicroXS` instance containing one-group microscoic cross
-sections in units of barns, and a path to a depletion chain file::
-
-    materials = openmc.Materials()
+    materials = openmc.Materials([m1, m2, m3])
     ...
 
-    # load in the microscopic cross sections
-    micro_xs = openmc.deplete.MicroXS.from_csv(micro_xs_path)
+    # Assign fluxes (generated from any code)
+    flux_m1 = numpy.array([...])
+    flux_m2 = numpy.array([...])
+    flux_m3 = numpy.array([...])
+    fluxes = [flux_m1, flux_m2, flux_m3]
 
-    op = openmc.deplete.IndependentOperator(materials, micro_xs, chain_file)
+    # Assign microscopic cross sections
+    micro_m1 = openmc.deplete.MicroXS.from_csv('xs_m1.csv')
+    micro_m2 = openmc.deplete.MicroXS.from_csv('xs_m2.csv')
+    micro_m3 = openmc.deplete.MicroXS.from_csv('xs_m3.csv')
+    micros = [micro_m1, micro_m2, micro_m3]
+
+    # Create operator
+    op = openmc.deplete.IndependentOperator(materials, fluxes, micros)
+
+For more details on the :class:`~openmc.deplete.MicroXS` class, including how to
+use OpenMC's transport solver to generate microscopic cross sections and fluxes
+for use with :class:`~openmc.deplete.IndependentOperator`, see :ref:`micros`.
 
 .. note::
 
-   The same statements from :ref:`coupled-depletion` about which
-   materials are depleted and the requirement for depletable materials to have
-   a specified volume also apply here.
+   The same statements from :ref:`coupled-depletion` about which materials are
+   depleted and the requirement for depletable materials to have a specified
+   volume also apply here.
 
 An alternate constructor,
 :meth:`~openmc.deplete.IndependentOperator.from_nuclides`, accepts a volume and
 dictionary of nuclide concentrations in place of the :class:`openmc.Materials`
-instance::
+instance. Note that while the normal constructor allows multiple materials to be
+depleted with a single operator, the
+:meth:`~openmc.deplete.IndependentOperator.from_nuclides` classmethod only works
+for a single material::
 
     nuclides = {'U234': 8.92e18,
                 'U235': 9.98e20,
@@ -244,6 +255,7 @@ instance::
     volume = 0.5
     op = openmc.deplete.IndependentOperator.from_nuclides(volume,
                                                           nuclides,
+                                                          flux,
                                                           micro_xs,
                                                           chain_file,
                                                           nuc_units='atom/cm3')
@@ -253,18 +265,21 @@ transport-depletion calculation and follow the same steps from there.
 
 .. note::
 
-   Ideally, one-group cross section data should be available for every
-   reaction in the depletion chain. If cross section data is not present for
-   a nuclide in the depletion chain with at least one reaction, that reaction
-   will not be simulated.
+   Ideally, multigroup cross section data should be available for every reaction
+   in the depletion chain. If cross section data is not present for a nuclide in
+   the depletion chain with at least one reaction, that reaction will not be
+   simulated.
+
+.. _micros:
 
 Loading and Generating Microscopic Cross Sections
 -------------------------------------------------
 
-As mentioned earlier, any transport code could be used to calculate one-group
-microscopic cross sections. The :mod:`openmc.deplete` module provides the
-:class:`~openmc.deplete.MicroXS` class, which contains methods to read in
-pre-calculated cross sections from a ``.csv`` file or from data arrays::
+As mentioned above, any transport code could be used to calculate multigroup
+microscopic cross sections and fluxes. The :mod:`openmc.deplete` module provides
+the :class:`~openmc.deplete.MicroXS` class, which can either be instantiated
+from pre-calculated cross sections in a ``.csv`` file or from data arrays
+directly::
 
     micro_xs = MicroXS.from_csv(micro_xs_path)
 
@@ -273,37 +288,31 @@ pre-calculated cross sections from a ``.csv`` file or from data arrays::
     data = np.array([[0.1, 0.2],
                      [0.3, 0.4],
                      [0.01, 0.5]])
-    micro_xs = MicroXS.from_array(nuclides, reactions, data)
+    micro_xs = MicroXS(data, nuclides, reactions)
 
 .. important::
 
-   Both :meth:`~openmc.deplete.MicroXS.from_csv()` and
-   :meth:`~openmc.deplete.MicroXS.from_array()` assume the cross section values
-   provided are in barns by defualt, but have no way of verifying this. Make
-   sure your cross sections are in the correct units before passing to a
+   The cross section values are assumed to be in units of barns. Make sure your
+   cross sections are in the correct units before passing to a
    :class:`~openmc.deplete.IndependentOperator` object.
 
-The :class:`~openmc.deplete.MicroXS` class also contains a method to generate one-group microscopic cross sections using OpenMC's transport solver. The
-:meth:`~openmc.deplete.MicroXS.from_model()` method will produce a
-:class:`~openmc.deplete.MicroXS` instance with microscopic cross section data in
-units of barns::
+Additionally, a convenience function,
+:func:`~openmc.deplete.get_microxs_and_flux`, can provide the needed fluxes and
+cross sections using OpenMC's transport solver::
 
-    import openmc
+    model = openmc.Model()
+    ...
 
-    model = openmc.Model.from_xml()
+    fluxes, micros = openmc.deplete.get_microxs_and_flux(model, materials)
 
-    micro_xs = openmc.deplete.MicroXS.from_model(model,
-                                                 model.materials[0],
-                                                 chain_file)
-
-If you are running :meth:`~openmc.deplete.MicroXS.from_model()` on a cluster
+If you are running :func:`~openmc.deplete.get_microxs_and_flux` on a cluster
 where temporary files are created on a local filesystem that is not shared
 across nodes, you'll need to set an environment variable pointing to a local
 directoy so that each MPI process knows where to store output files used to
 calculate the microscopic cross sections. In order of priority, they are
-:envvar:`TMPDIR`. :envvar:`TEMP`, and :envvar:`TMP`. Users interested in
-further details can read the documentation for the `tempfile <https://docs.python.org/3/library/tempfile.html#tempfile.gettempdir>`_ module.
-
+:envvar:`TMPDIR`. :envvar:`TEMP`, and :envvar:`TMP`. Users interested in further
+details can read the documentation for the `tempfile
+<https://docs.python.org/3/library/tempfile.html#tempfile.gettempdir>`_ module.
 
 Caveats
 -------
@@ -325,24 +334,30 @@ normalizing reaction rates:
    the time integrator is a flux, and obtains the reaction rates by multiplying
    the cross sections by the ``source-rate``.
 2. ``fission-q`` normalization, which uses the ``power`` or ``power_density``
-   provided by the time integrator to obtain reaction rates by computing a value
-   for the flux based on this power. The equation we use for this calculation is
+   provided by the time integrator to obtain normalized reaction rates by
+   computing a normalization factor as the ratio of the user-specified power to
+   the "observed" power based on fission reaction rates. The equation for the
+   normalization factor is
 
    .. math::
       :label: fission-q
 
-      \phi = \frac{P}{\sum\limits_i (Q_i \sigma^f_i N_i)}
+      f = \frac{P}{\sum\limits_m \sum\limits_i \left(Q_i N_{i,m} \sum\limits_g
+      \sigma^f_{i,g,m} \phi_{g,m} \right)}
 
    where :math:`P` is the power, :math:`Q_i` is the fission Q value for nuclide
-   :math:`i`, :math:`\sigma_i^f` is the microscopic fission cross section for
-   nuclide :math:`i`, and :math:`N_i` is the number of atoms of nuclide
-   :math:`i`. This equation makes the same assumptions and issues as discussed
-   in :ref:`energy-deposition`. Unfortunately, the proposed solution in that
-   section does not apply here since we are decoupled from transport code.
-   However, there is a method to converge to a more accurate value for flux by
-   using substeps during time integration. `This paper
-   <https://doi.org/10.1016/j.anucene.2016.05.031>`_ provides a good discussion
-   of this method.
+   :math:`i`, :math:`\sigma_{i,g,m}^f` is the microscopic fission cross section
+   for nuclide :math:`i` in energy group :math:`g` for material :math:`m`,
+   :math:`\phi_{g,m}` is the neutron flux in group :math:`g` for material
+   :math:`m`, and :math:`N_{i,m}` is the number of atoms of nuclide :math:`i`
+   for material :math:`m`. Reaction rates are then multiplied by :math:`f` so
+   that the total fission power matches :math:`P`. This equation makes the same
+   assumptions and issues as discussed in :ref:`energy-deposition`.
+   Unfortunately, the proposed solution in that section does not apply here
+   since we are decoupled from transport code. However, there is a method to
+   converge to a more accurate value for flux by using substeps during time
+   integration. `This paper <https://doi.org/10.1016/j.anucene.2016.05.031>`_
+   provides a good discussion of this method.
 
 .. warning::
 
@@ -359,14 +374,14 @@ useful for running many different cases of a particular scenario. A
 transport-independent depletion simulation using ``fission-q`` normalization
 will sum the fission energy values across all materials into :math:`Q_i` in
 Equation :math:numref:`fission-q`, and Equation :math:numref:`fission-q`
-provides the flux we use to calculate the reaction rates in each material.
+provides the normalization factor applied to reaction rates in each material.
 This can be useful for running a scenario with multiple depletable materials
 that are part of the same reactor. This behavior may change in the future.
 
 Time integration
 ~~~~~~~~~~~~~~~~
 
-The values of the one-group microscopic cross sections passed to
+The values of the microscopic cross sections passed to
 :class:`openmc.deplete.IndependentOperator` are fixed for the entire depletion
 simulation. This implicit assumption may produce inaccurate results for certain
 scenarios.
diff --git a/openmc/deplete/helpers.py b/openmc/deplete/helpers.py
index 9a1fc6a3f..1c9d96f67 100644
--- a/openmc/deplete/helpers.py
+++ b/openmc/deplete/helpers.py
@@ -196,13 +196,13 @@ class DirectReactionRateHelper(ReactionRateHelper):
         """
         self._rate_tally_means_cache = None
 
-    def get_material_rates(self, mat_id, nuc_index, rx_index):
+    def get_material_rates(self, mat_index, nuc_index, rx_index):
         """Return an array of reaction rates for a material
 
         Parameters
         ----------
-        mat_id : int
-            Unique ID for the requested material
+        mat_index : int
+            Index for the material
         nuc_index : iterable of int
             Index for each nuclide in :attr:`nuclides` in the
             desired reaction rate matrix
@@ -216,7 +216,7 @@ class DirectReactionRateHelper(ReactionRateHelper):
             reaction rates in this material
         """
         self._results_cache.fill(0.0)
-        full_tally_res = self.rate_tally_means[mat_id]
+        full_tally_res = self.rate_tally_means[mat_index]
         for i_tally, (i_nuc, i_rx) in enumerate(product(nuc_index, rx_index)):
             self._results_cache[i_nuc, i_rx] = full_tally_res[i_tally]
 
diff --git a/openmc/deplete/independent_operator.py b/openmc/deplete/independent_operator.py
index 757278406..aa71942df 100644
--- a/openmc/deplete/independent_operator.py
+++ b/openmc/deplete/independent_operator.py
@@ -5,8 +5,10 @@ transport solver by using user-provided one-group cross sections.
 
 """
 
+from __future__ import annotations
+from collections.abc import Iterable
 import copy
-from itertools import product
+from typing import List, Set
 
 import numpy as np
 from uncertainties import ufloat
@@ -37,14 +39,20 @@ class IndependentOperator(OpenMCOperator):
 
     .. versionadded:: 0.13.1
 
+    .. versionchanged:: 0.13.4
+        Arguments updated to include list of fluxes and microscopic cross
+        sections.
+
     Parameters
     ----------
     materials : openmc.Materials
         Materials to deplete.
-    micro_xs : MicroXS
-        One-group microscopic cross sections in [b]. If the
-        :class:`~openmc.deplete.MicroXS` object is empty, a decay-only calculation will
-        be run.
+    fluxes : list of numpy.ndarray
+        Flux in each group in [n-cm/src] for each domain
+    micros : list of MicroXS
+        Cross sections in [b] for each domain. If the
+        :class:`~openmc.deplete.MicroXS` object is empty, a decay-only
+        calculation will be run.
     chain_file : str
         Path to the depletion chain XML file. Defaults to
         ``openmc.config['chain_file']``.
@@ -109,7 +117,8 @@ class IndependentOperator(OpenMCOperator):
 
     def __init__(self,
                  materials,
-                 micro_xs,
+                 fluxes,
+                 micros,
                  chain_file=None,
                  keff=None,
                  normalization_mode='fission-q',
@@ -120,7 +129,7 @@ class IndependentOperator(OpenMCOperator):
                  fission_yield_opts=None):
         # Validate micro-xs parameters
         check_type('materials', materials, openmc.Materials)
-        check_type('micro_xs', micro_xs, MicroXS)
+        check_type('micros', micros, Iterable, MicroXS)
         if keff is not None:
             check_type('keff', keff, tuple, float)
             keff = ufloat(*keff)
@@ -132,10 +141,15 @@ class IndependentOperator(OpenMCOperator):
         helper_kwargs = {'normalization_mode': normalization_mode,
                          'fission_yield_opts': fission_yield_opts}
 
-        cross_sections = micro_xs * 1e-24
+        # Sort fluxes and micros in same order that materials get sorted
+        index_sort = np.argsort([mat.id for mat in materials])
+        fluxes = [fluxes[i] for i in index_sort]
+        micros = [micros[i] for i in index_sort]
+
+        self.fluxes = fluxes
         super().__init__(
             materials,
-            cross_sections,
+            micros,
             chain_file,
             prev_results,
             fission_q=fission_q,
@@ -145,6 +159,7 @@ class IndependentOperator(OpenMCOperator):
 
     @classmethod
     def from_nuclides(cls, volume, nuclides,
+                      flux,
                       micro_xs,
                       chain_file=None,
                       nuc_units='atom/b-cm',
@@ -163,10 +178,11 @@ class IndependentOperator(OpenMCOperator):
         nuclides : dict of str to float
             Dictionary with nuclide names as keys and nuclide concentrations as
             values.
+        flux : numpy.ndarray
+            Flux in each group in [n-cm/src]
         micro_xs : MicroXS
-            One-group microscopic cross sections in [b]. If the
-            :class:`~openmc.deplete.MicroXS` object is empty, a decay-only calculation
-            will be run.
+            Cross sections in [b]. If the :class:`~openmc.deplete.MicroXS`
+            object is empty, a decay-only calculation will be run.
         chain_file : str, optional
             Path to the depletion chain XML file. Defaults to
             ``openmc.config['chain_file']``.
@@ -203,8 +219,11 @@ class IndependentOperator(OpenMCOperator):
         """
         check_type('nuclides', nuclides, dict, str)
         materials = cls._consolidate_nuclides_to_material(nuclides, nuc_units, volume)
+        fluxes = [flux]
+        micros = [micro_xs]
         return cls(materials,
-                   micro_xs,
+                   fluxes,
+                   micros,
                    chain_file,
                    keff=keff,
                    normalization_mode=normalization_mode,
@@ -256,9 +275,9 @@ class IndependentOperator(OpenMCOperator):
                 self.prev_res.append(new_res)
 
 
-    def _get_nuclides_with_data(self, cross_sections):
+    def _get_nuclides_with_data(self, cross_sections: List[MicroXS]) -> Set[str]:
         """Finds nuclides with cross section data"""
-        return set(cross_sections.index)
+        return set(cross_sections[0].nuclides)
 
     class _IndependentRateHelper(ReactionRateHelper):
         """Class for generating one-group reaction rates with flux and
@@ -285,7 +304,7 @@ class IndependentOperator(OpenMCOperator):
 
         """
 
-        def __init__(self, op):
+        def __init__(self, op: IndependentOperator):
             rates = op.reaction_rates
             super().__init__(rates.n_nuc, rates.n_react)
 
@@ -301,13 +320,13 @@ class IndependentOperator(OpenMCOperator):
             """Unused in this case"""
             pass
 
-        def get_material_rates(self, mat_id, nuc_index, react_index):
+        def get_material_rates(self, mat_index, nuc_index, react_index):
             """Return 2D array of [nuclide, reaction] reaction rates
 
             Parameters
             ----------
-            mat_id : int
-                Unique ID for the requested material
+            mat_index : int
+                Index for the material
             nuc_index : list of str
                 Ordering of desired nuclides
             react_index : list of str
@@ -315,20 +334,18 @@ class IndependentOperator(OpenMCOperator):
             """
             self._results_cache.fill(0.0)
 
-            # Get volume in units of [b-cm]
-            volume_b_cm = 1e24 * self._op.number.get_mat_volume(mat_id)
+            # Get flux and microscopic cross sections from operator
+            flux = self._op.fluxes[mat_index]
+            xs = self._op.cross_sections[mat_index]
 
-            for i_nuc, i_react in product(nuc_index, react_index):
+            for i_nuc in nuc_index:
                 nuc = self.nuc_ind_map[i_nuc]
-                rx = self.rx_ind_map[i_react]
+                for i_rx in react_index:
+                    rx = self.rx_ind_map[i_rx]
 
-                # OK, this is kind of weird, but we multiply by volume in [b-cm]
-                # only because OpenMCOperator._calculate_reaction_rates has to
-                # divide it out later. It might make more sense to account for
-                # the source rate (flux) here rather than in the normalization
-                # helper.
-                self._results_cache[i_nuc, i_react] = \
-                    self._op.cross_sections[rx][nuc] * volume_b_cm
+                    # Determine reaction rate by multiplying xs in [b] by flux
+                    # in [n-cm/src] to give [(reactions/src)*b-cm/atom]
+                    self._results_cache[i_nuc, i_rx] = (xs[nuc, rx] * flux).sum()
 
             return self._results_cache
 
diff --git a/openmc/deplete/microxs.py b/openmc/deplete/microxs.py
index 050389cc2..59285e213 100644
--- a/openmc/deplete/microxs.py
+++ b/openmc/deplete/microxs.py
@@ -1,15 +1,17 @@
 """MicroXS module
 
-A pandas.DataFrame storing microscopic cross section data with
-nuclide names as row indices and reaction names as column indices.
+A class for storing microscopic cross section data that can be used with the
+IndependentOperator class for depletion.
 """
 
+from __future__ import annotations
 import tempfile
+from typing import List, Tuple, Iterable, Optional, Union
 
-from pandas import DataFrame, read_csv, Series
+import pandas as pd
 import numpy as np
 
-from openmc.checkvalue import check_type, check_value, check_iterable_type
+from openmc.checkvalue import check_type, check_value, check_iterable_type, PathLike
 from openmc.exceptions import DataError
 from openmc import StatePoint
 import openmc
@@ -20,168 +22,178 @@ _valid_rxns = list(REACTIONS)
 _valid_rxns.append('fission')
 
 
-class MicroXS(DataFrame):
+def get_microxs_and_flux(
+        model: openmc.Model,
+        domains,
+        nuclides: Optional[Iterable[str]] = None,
+        reactions: Optional[Iterable[str]] = None,
+        energies: Optional[Union[Iterable[float], str]] = None,
+        chain_file: Optional[PathLike] = None,
+        run_kwargs=None
+    ) -> Tuple[List[np.ndarray], List[MicroXS]]:
+    """Generate a microscopic cross sections and flux from a Model
+
+    .. versionadded:: 0.13.4
+
+    Parameters
+    ----------
+    model : openmc.Model
+        OpenMC model object. Must contain geometry, materials, and settings.
+    domains : list of openmc.Material or openmc.Cell or openmc.Universe
+        Domains in which to tally reaction rates.
+    nuclides : list of str
+        Nuclides to get cross sections for. If not specified, all burnable
+        nuclides from the depletion chain file are used.
+    reactions : list of str
+        Reactions to get cross sections for. If not specified, all neutron
+        reactions listed in the depletion chain file are used.
+    energies : iterable of float or str
+        Energy group boundaries in [eV] or the name of the group structure
+    chain_file : str, optional
+        Path to the depletion chain XML file that will be used in depletion
+        simulation. Used to determine cross sections for materials not
+        present in the inital composition. Defaults to
+        ``openmc.config['chain_file']``.
+    run_kwargs : dict, optional
+        Keyword arguments passed to :meth:`openmc.Model.run`
+
+    Returns
+    -------
+    list of numpy.ndarray
+        Flux in each group in [n-cm/src] for each domain
+    list of MicroXS
+        Cross section data in [b] for each domain
+
+    """
+    # Save any original tallies on the model
+    original_tallies = model.tallies
+
+    # Determine what reactions and nuclides are available in chain
+    if chain_file is None:
+        chain_file = openmc.config.get('chain_file')
+        if chain_file is None:
+            raise DataError(
+                "No depletion chain specified and could not find depletion "
+                "chain in openmc.config['chain_file']"
+            )
+    chain = Chain.from_xml(chain_file)
+    if reactions is None:
+        reactions = chain.reactions
+    if not nuclides:
+        cross_sections = _find_cross_sections(model)
+        nuclides_with_data = _get_nuclides_with_data(cross_sections)
+        nuclides = [nuc.name for nuc in chain.nuclides
+                    if nuc.name in nuclides_with_data]
+
+    # Set up the reaction rate and flux tallies
+    if energies is None:
+        energy_filter = openmc.EnergyFilter([0.0, 100.0e6])
+    elif isinstance(energies, str):
+        energy_filter = openmc.EnergyFilter.from_group_structure(energies)
+    else:
+        energy_filter = openmc.EnergyFilter(energies)
+    if isinstance(domains[0], openmc.Material):
+        domain_filter = openmc.MaterialFilter(domains)
+    elif isinstance(domains[0], openmc.Cell):
+        domain_filter = openmc.CellFilter(domains)
+    elif isinstance(domains[0], openmc.Universe):
+        domain_filter = openmc.UniverseFilter(domains)
+    else:
+        raise ValueError(f"Unsupported domain type: {type(domains[0])}")
+
+    rr_tally = openmc.Tally(name='MicroXS RR')
+    rr_tally.filters = [domain_filter, energy_filter]
+    rr_tally.nuclides = nuclides
+    rr_tally.multiply_density = False
+    rr_tally.scores = reactions
+
+    flux_tally = openmc.Tally(name='MicroXS flux')
+    flux_tally.filters = [domain_filter, energy_filter]
+    flux_tally.scores = ['flux']
+    model.tallies = openmc.Tallies([rr_tally, flux_tally])
+
+    # create temporary run
+    with tempfile.TemporaryDirectory() as temp_dir:
+        if run_kwargs is None:
+            run_kwargs = {}
+        else:
+            run_kwargs = dict(run_kwargs)
+        run_kwargs.setdefault('cwd', temp_dir)
+        statepoint_path = model.run(**run_kwargs)
+
+        with StatePoint(statepoint_path) as sp:
+            rr_tally = sp.tallies[rr_tally.id]
+            rr_tally._read_results()
+            flux_tally = sp.tallies[flux_tally.id]
+            flux_tally._read_results()
+
+    # Get reaction rates and flux values
+    reaction_rates = rr_tally.get_reshaped_data()  # (domains, groups, nuclides, reactions)
+    flux = flux_tally.get_reshaped_data()  # (domains, groups, 1, 1)
+
+    # Make energy groups last dimension
+    reaction_rates = np.moveaxis(reaction_rates, 1, -1)  # (domains, nuclides, reactions, groups)
+    flux = np.moveaxis(flux, 1, -1)  # (domains, 1, 1, groups)
+
+    # Divide RR by flux to get microscopic cross sections
+    xs = np.empty_like(reaction_rates) # (domains, nuclides, reactions, groups)
+    d, _, _, g = np.nonzero(flux)
+    xs[d, ..., g] = reaction_rates[d, ..., g] / flux[d, :, :, g]
+
+    # Reset tallies
+    model.tallies = original_tallies
+
+    # Create lists where each item corresponds to one domain
+    fluxes = list(flux.squeeze((1, 2)))
+    micros = [MicroXS(xs_i, nuclides, reactions) for xs_i in xs]
+    return fluxes, micros
+
+
+class MicroXS:
     """Microscopic cross section data for use in transport-independent depletion.
 
     .. versionadded:: 0.13.1
 
+    .. versionchanged:: 0.13.4
+        Class was heavily refactored and no longer subclasses pandas.DataFrame.
+
+    Parameters
+    ----------
+    data : numpy.ndarray of floats
+        3D array containing microscopic cross section values for each
+        nuclide, reaction, and energy group. Cross section values are assumed to
+        be in [b], and indexed by [nuclide, reaction, energy group]
+    nuclides : list of str
+        List of nuclide symbols for that have data for at least one
+        reaction.
+    reactions : list of str
+        List of reactions. All reactions must match those in
+        :data:`openmc.deplete.chain.REACTIONS`
+
     """
-
-    @classmethod
-    def from_model(cls,
-                   model,
-                   domain,
-                   nuclides=None,
-                   reactions=None,
-                   chain_file=None,
-                   energy_bounds=(0, 20e6),
-                   run_kwargs=None):
-        """Generate a one-group cross-section dataframe using OpenMC.
-
-        Note that the ``openmc`` executable must be compiled.
-
-        Parameters
-        ----------
-        model : openmc.Model
-            OpenMC model object. Must contain geometry, materials, and settings.
-        domain : openmc.Material or openmc.Cell or openmc.Universe
-            Domain in which to tally reaction rates.
-        nuclides : list of str
-            Nuclides to get cross sections for. If not specified, all burnable
-            nuclides from the depletion chain file are used.
-        reactions : list of str
-            Reactions to get cross sections for. If not specified, all neutron
-            reactions listed in the depletion chain file are used.
-        chain_file : str, optional
-            Path to the depletion chain XML file that will be used in depletion
-            simulation. Used to determine cross sections for materials not
-            present in the inital composition. Defaults to
-            ``openmc.config['chain_file']``.
-        energy_bound : 2-tuple of float, optional
-            Bounds for the energy group.
-        run_kwargs : dict, optional
-            Keyword arguments passed to :meth:`openmc.model.Model.run`
-
-        Returns
-        -------
-        MicroXS
-            Cross section data in [b]
-
-        """
-        # Save any original tallies on the model
-        original_tallies = model.tallies
-
-        # Determine what reactions and nuclides are available in chain
-        if chain_file is None:
-            chain_file = openmc.config.get('chain_file')
-            if chain_file is None:
-                raise DataError(
-                    "No depletion chain specified and could not find depletion "
-                    "chain in openmc.config['chain_file']"
-                )
-        chain = Chain.from_xml(chain_file)
-        if reactions is None:
-            reactions = chain.reactions
-        if not nuclides:
-            cross_sections = _find_cross_sections(model)
-            nuclides_with_data = _get_nuclides_with_data(cross_sections)
-            nuclides = [nuc.name for nuc in chain.nuclides
-                        if nuc.name in nuclides_with_data]
-
-        # Set up the reaction rate and flux tallies
-        energy_filter = openmc.EnergyFilter(energy_bounds)
-        if isinstance(domain, openmc.Material):
-            domain_filter = openmc.MaterialFilter([domain])
-        elif isinstance(domain, openmc.Cell):
-            domain_filter = openmc.CellFilter([domain])
-        elif isinstance(domain, openmc.Universe):
-            domain_filter = openmc.UniverseFilter([domain])
-        else:
-            raise ValueError(f"Unsupported domain type: {type(domain)}")
-
-        rr_tally = openmc.Tally(name='MicroXS RR')
-        rr_tally.filters = [domain_filter, energy_filter]
-        rr_tally.nuclides = nuclides
-        rr_tally.multiply_density = False
-        rr_tally.scores = reactions
-
-        flux_tally = openmc.Tally(name='MicroXS flux')
-        flux_tally.filters = [domain_filter, energy_filter]
-        flux_tally.scores = ['flux']
-        tallies = openmc.Tallies([rr_tally, flux_tally])
-
-        model.tallies = tallies
-
-        # create temporary run
-        with tempfile.TemporaryDirectory() as temp_dir:
-            if run_kwargs is None:
-                run_kwargs = {}
-            run_kwargs.setdefault('cwd', temp_dir)
-            statepoint_path = model.run(**run_kwargs)
-
-            with StatePoint(statepoint_path) as sp:
-                rr_tally = sp.tallies[rr_tally.id]
-                rr_tally._read_results()
-                flux_tally = sp.tallies[flux_tally.id]
-                flux_tally._read_results()
-
-        # Get reaction rates and flux values
-        reaction_rates = rr_tally.mean.sum(axis=0)  # (nuclides, reactions)
-        flux = flux_tally.mean[0, 0, 0]
-
-        # Divide RR by flux to get microscopic cross sections
-        xs = reaction_rates / flux
-
-        # Build Series objects
-        series = {}
-        for i, rx in enumerate(reactions):
-            series[rx] = Series(xs[..., i], index=rr_tally.nuclides)
-
-        # Revert to the original tallies and materials
-        model.tallies = original_tallies
-
-        return cls(series).rename_axis('nuclide')
-
-    @classmethod
-    def from_array(cls, nuclides, reactions, data):
-        """
-        Creates a ``MicroXS`` object from arrays.
-
-        Parameters
-        ----------
-        nuclides : list of str
-            List of nuclide symbols for that have data for at least one
-            reaction.
-        reactions : list of str
-            List of reactions. All reactions must match those in
-            :data:`openmc.deplete.chain.REACTIONS`
-        data : ndarray of floats
-            Array containing one-group microscopic cross section values for
-            each nuclide and reaction. Cross section values are assumed to be
-            in [b].
-
-        Returns
-        -------
-        MicroXS
-        """
-
+    def __init__(self, data: np.ndarray, nuclides: List[str], reactions: List[str]):
         # Validate inputs
-        if data.shape != (len(nuclides), len(reactions)):
+        if data.shape[:2] != (len(nuclides), len(reactions)):
             raise ValueError(
                 f'Nuclides list of length {len(nuclides)} and '
                 f'reactions array of length {len(reactions)} do not '
                 f'match dimensions of data array of shape {data.shape}')
+        check_iterable_type('nuclides', nuclides, str)
+        check_iterable_type('reactions', reactions, str)
+        check_type('data', data, np.ndarray, expected_iter_type=float)
+        for reaction in reactions:
+            check_value('reactions', reaction, _valid_rxns)
 
-        cls._validate_micro_xs_inputs(
-            nuclides, reactions, data)
-        micro_xs = cls(index=nuclides, columns=reactions, data=data)
+        self.data = data
+        self.nuclides = nuclides
+        self.reactions = reactions
 
-        return micro_xs
+    # TODO: Add a classmethod for generating MicroXS directly from cross section
+    # data using a known flux spectrum
 
     @classmethod
     def from_csv(cls, csv_file, **kwargs):
-        """
-        Load a ``MicroXS`` object from a ``.csv`` file.
+        """Load data from a comma-separated values (csv) file.
 
         Parameters
         ----------
@@ -199,17 +211,37 @@ class MicroXS(DataFrame):
         if 'float_precision' not in kwargs:
             kwargs['float_precision'] = 'round_trip'
 
-        micro_xs = cls(read_csv(csv_file, index_col=0, **kwargs))
+        df = pd.read_csv(csv_file, **kwargs)
+        df.set_index(['nuclides', 'reactions', 'groups'], inplace=True)
+        nuclides = list(df.index.unique(level='nuclides'))
+        reactions = list(df.index.unique(level='reactions'))
+        groups = list(df.index.unique(level='groups'))
+        shape = (len(nuclides), len(reactions), len(groups))
+        data = df.values.reshape(shape)
+        return cls(data, nuclides, reactions)
 
-        cls._validate_micro_xs_inputs(list(micro_xs.index),
-                                      list(micro_xs.columns),
-                                      micro_xs.to_numpy())
-        return micro_xs
+    def __getitem__(self, index):
+        nuc, rx = index
+        i_nuc = self.nuclides.index(nuc)
+        i_rx = self.reactions.index(rx)
+        return self.data[i_nuc, i_rx]
+
+    def to_csv(self, *args, **kwargs):
+        """Write data to a comma-separated values (csv) file
+
+        Parameters
+        ----------
+        *args
+            Positional arguments passed to :meth:`pandas.DataFrame.to_csv`
+        **kwargs
+            Keyword arguments passed to :meth:`pandas.DataFrame.to_csv`
+
+        """
+        groups = self.data.shape[2]
+        multi_index = pd.MultiIndex.from_product(
+            [self.nuclides, self.reactions, range(1, groups + 1)],
+            names=['nuclides', 'reactions', 'groups']
+        )
+        df = pd.DataFrame({'xs': self.data.flatten()}, index=multi_index)
+        df.to_csv(*args, **kwargs)
 
-    @staticmethod
-    def _validate_micro_xs_inputs(nuclides, reactions, data):
-        check_iterable_type('nuclides', nuclides, str)
-        check_iterable_type('reactions', reactions, str)
-        check_type('data', data, np.ndarray, expected_iter_type=float)
-        for reaction in reactions:
-            check_value('reactions', reaction, _valid_rxns)
diff --git a/openmc/deplete/openmc_operator.py b/openmc/deplete/openmc_operator.py
index d3b9ef911..319d98701 100644
--- a/openmc/deplete/openmc_operator.py
+++ b/openmc/deplete/openmc_operator.py
@@ -6,6 +6,7 @@ transport-independent transport operators.
 """
 
 from abc import abstractmethod
+from typing import List, Tuple, Dict
 
 import numpy as np
 
@@ -31,9 +32,9 @@ class OpenMCOperator(TransportOperator):
     ----------
     materials : openmc.Materials
         List of all materials in the model
-    cross_sections : str or pandas.DataFrame
-        Path to continuous energy cross section library, or object containing
-        one-group cross-sections.
+    cross_sections : str or list of MicroXS
+        Path to continuous energy cross section library, or list of objects
+        containing cross sections.
     chain_file : str, optional
         Path to the depletion chain XML file. Defaults to
         openmc.config['chain_file'].
@@ -60,9 +61,9 @@ class OpenMCOperator(TransportOperator):
     ----------
     materials : openmc.Materials
         All materials present in the model
-    cross_sections : str or MicroXS
-            Path to continuous energy cross section library, or object
-            containing one-group cross-sections.
+    cross_sections : str or list of MicroXS
+        Path to continuous energy cross section library, or list of objects
+        containing cross sections.
     output_dir : pathlib.Path
         Path to output directory to save results.
     round_number : bool
@@ -164,7 +165,7 @@ class OpenMCOperator(TransportOperator):
         """Assign distribmats for each burnable material"""
         pass
 
-    def _get_burnable_mats(self):
+    def _get_burnable_mats(self) -> Tuple[List[str], Dict[str, float], List[str]]:
         """Determine depletable materials, volumes, and nuclides
 
         Returns
diff --git a/openmc/deplete/reaction_rates.py b/openmc/deplete/reaction_rates.py
index b806dfad8..4aaf829a9 100644
--- a/openmc/deplete/reaction_rates.py
+++ b/openmc/deplete/reaction_rates.py
@@ -2,6 +2,8 @@
 
 An ndarray to store reaction rates with string, integer, or slice indexing.
 """
+from typing import Dict
+
 import numpy as np
 
 
@@ -51,6 +53,10 @@ class ReactionRates(np.ndarray):
     # the __array_finalize__ method (discussed here:
     # https://docs.scipy.org/doc/numpy/user/basics.subclassing.html)
 
+    index_mat: Dict[str, int]
+    index_nuc: Dict[str, int]
+    index_rx: Dict[str, int]
+
     def __new__(cls, local_mats, nuclides, reactions, from_results=False):
         # Create appropriately-sized zeroed-out ndarray
         shape = (len(local_mats), len(nuclides), len(reactions))
diff --git a/tests/micro_xs_simple.csv b/tests/micro_xs_simple.csv
index 71981c718..146896aa2 100644
--- a/tests/micro_xs_simple.csv
+++ b/tests/micro_xs_simple.csv
@@ -1,13 +1,25 @@
-nuclide,"(n,gamma)",fission
-U234,22.231989822002454,0.4962074466374984
-U235,10.479008971197121,48.41787337164606
-U238,0.8673334105437321,0.1046788058876236
-U236,8.651710446071224,0.31948392400019293
-O16,7.497851000107522e-05,0.0
-O17,0.0004079227797153372,0.0
-I135,6.842395323713929,0.0
-Xe135,227463.8642699061,0.0
-Xe136,0.023178960347535887,0.0
-Cs135,2.1721665580713623,0.0
-Gd157,12786.099392370175,0.0
-Gd156,3.4006085445846983,0.0
+nuclides,reactions,groups,xs
+U234,"(n,gamma)",1,22.23198982200245
+U234,fission,1,0.4962074466374984
+U235,"(n,gamma)",1,10.47900897119712
+U235,fission,1,48.41787337164606
+U238,"(n,gamma)",1,0.8673334105437321
+U238,fission,1,0.1046788058876236
+U236,"(n,gamma)",1,8.651710446071224
+U236,fission,1,0.3194839240001929
+O16,"(n,gamma)",1,7.497851000107522e-05
+O16,fission,1,0.0
+O17,"(n,gamma)",1,0.0004079227797153
+O17,fission,1,0.0
+I135,"(n,gamma)",1,6.842395323713929
+I135,fission,1,0.0
+Xe135,"(n,gamma)",1,227463.8642699061
+Xe135,fission,1,0.0
+Xe136,"(n,gamma)",1,0.0231789603475358
+Xe136,fission,1,0.0
+Cs135,"(n,gamma)",1,2.1721665580713623
+Cs135,fission,1,0.0
+Gd157,"(n,gamma)",1,12786.099392370175
+Gd157,fission,1,0.0
+Gd156,"(n,gamma)",1,3.4006085445846983
+Gd156,fission,1,0.0
diff --git a/tests/regression_tests/deplete_no_transport/test.py b/tests/regression_tests/deplete_no_transport/test.py
index 64769c0b0..54c29cd5b 100644
--- a/tests/regression_tests/deplete_no_transport/test.py
+++ b/tests/regression_tests/deplete_no_transport/test.py
@@ -36,13 +36,16 @@ def chain_file():
     return Path(__file__).parents[2] / 'chain_simple.xml'
 
 
-@pytest.mark.parametrize("multiproc, from_nuclides, normalization_mode, power, flux", [
-    (True, True, 'source-rate', None, 1164719970082145.0),
-    (False, True, 'source-rate', None, 1164719970082145.0),
+neutron_per_cm2_sec = 1164719970082145.0
+
+
+@pytest.mark.parametrize("multiproc, from_nuclides, normalization_mode, power, source_rate", [
+    (True, True, 'source-rate', None, 1.0),
+    (False, True, 'source-rate', None, 1.0),
     (True, True, 'fission-q', 174, None),
     (False, True, 'fission-q', 174, None),
-    (True, False, 'source-rate', None, 1164719970082145.0),
-    (False, False, 'source-rate', None, 1164719970082145.0),
+    (True, False, 'source-rate', None, 1.0),
+    (False, False, 'source-rate', None, 1.0),
     (True, False, 'fission-q', 174, None),
     (False, False, 'fission-q', 174, None)])
 def test_against_self(run_in_tmpdir,
@@ -53,7 +56,7 @@ def test_against_self(run_in_tmpdir,
                       from_nuclides,
                       normalization_mode,
                       power,
-                      flux):
+                      source_rate):
     """Transport free system test suite.
 
     Runs an OpenMC transport-free depletion calculation and verifies
@@ -61,8 +64,10 @@ def test_against_self(run_in_tmpdir,
 
     """
     # Create operator
+    flux = neutron_per_cm2_sec * fuel.volume
     op = _create_operator(from_nuclides,
                           fuel,
+                          flux,
                           micro_xs,
                           chain_file,
                           normalization_mode)
@@ -75,12 +80,12 @@ def test_against_self(run_in_tmpdir,
     openmc.deplete.PredictorIntegrator(op,
                                        dt,
                                        power=power,
-                                       source_rates=flux,
+                                       source_rates=source_rate,
                                        timestep_units='s').integrate()
 
     # Get path to test and reference results
     path_test = op.output_dir / 'depletion_results.h5'
-    if flux is not None:
+    if power is None:
         ref_path = 'test_reference_source_rate.h5'
     else:
         ref_path = 'test_reference_fission_q.h5'
@@ -99,8 +104,8 @@ def test_against_self(run_in_tmpdir,
     _assert_same_mats(res_test, res_ref)
 
     tol = 1.0e-14
-    assert_atoms_equal(res_test, res_ref, tol)
-    assert_reaction_rates_equal(res_test, res_ref, tol)
+    assert_atoms_equal(res_ref, res_test, tol)
+    assert_reaction_rates_equal(res_ref, res_test, tol)
 
 
 @pytest.mark.parametrize("multiproc, dt, time_units, time_type, atom_tol, rx_tol ", [
@@ -123,7 +128,8 @@ def test_against_coupled(run_in_tmpdir,
                          atom_tol,
                          rx_tol):
     # Create operator
-    op = _create_operator(False, fuel, micro_xs, chain_file, 'fission-q')
+    flux = neutron_per_cm2_sec * fuel.volume
+    op = _create_operator(False, fuel, flux, micro_xs, chain_file, 'fission-q')
 
     # Power and timesteps
     dt = [dt]  # single step
@@ -151,12 +157,13 @@ def test_against_coupled(run_in_tmpdir,
     # Assert same mats
     _assert_same_mats(res_test, res_ref)
 
-    assert_atoms_equal(res_test, res_ref, atom_tol)
-    assert_reaction_rates_equal(res_test, res_ref, rx_tol)
+    assert_atoms_equal(res_ref, res_test, atom_tol)
+    assert_reaction_rates_equal(res_ref, res_test, rx_tol)
 
 
 def _create_operator(from_nuclides,
                      fuel,
+                     flux,
                      micro_xs,
                      chain_file,
                      normalization_mode):
@@ -167,13 +174,15 @@ def _create_operator(from_nuclides,
 
         op = IndependentOperator.from_nuclides(fuel.volume,
                                                nuclides,
+                                               flux,
                                                micro_xs,
                                                chain_file,
                                                normalization_mode=normalization_mode)
 
     else:
         op = IndependentOperator(openmc.Materials([fuel]),
-                                 micro_xs,
+                                 [flux],
+                                 [micro_xs],
                                  chain_file,
                                  normalization_mode=normalization_mode)
 
diff --git a/tests/regression_tests/microxs/test.py b/tests/regression_tests/microxs/test.py
index 3d67ee8a3..f4b3649fd 100644
--- a/tests/regression_tests/microxs/test.py
+++ b/tests/regression_tests/microxs/test.py
@@ -4,7 +4,7 @@ from pathlib import Path
 import numpy as np
 import pytest
 import openmc
-from openmc.deplete import MicroXS
+from openmc.deplete import MicroXS, get_microxs_and_flux
 
 from tests.regression_tests import config
 
@@ -47,13 +47,13 @@ def model():
 
 
 def test_from_model(model):
-    fuel = model.materials[0]
+    domains = model.materials[:1]
     nuclides = ['U234', 'U235', 'U238', 'U236', 'O16', 'O17', 'I135', 'Xe135',
                 'Xe136', 'Cs135', 'Gd157', 'Gd156']
-    test_xs = MicroXS.from_model(model, fuel, nuclides, chain_file=CHAIN_FILE)
+    _, test_xs = get_microxs_and_flux(model, domains, nuclides, chain_file=CHAIN_FILE)
     if config['update']:
-        test_xs.to_csv('test_reference.csv')
+        test_xs[0].to_csv('test_reference.csv')
 
     ref_xs = MicroXS.from_csv('test_reference.csv')
 
-    np.testing.assert_allclose(test_xs, ref_xs, rtol=1e-11)
+    np.testing.assert_allclose(test_xs[0].data, ref_xs.data, rtol=1e-11)
diff --git a/tests/regression_tests/microxs/test_reference.csv b/tests/regression_tests/microxs/test_reference.csv
index 0fc41862d..3e679f980 100644
--- a/tests/regression_tests/microxs/test_reference.csv
+++ b/tests/regression_tests/microxs/test_reference.csv
@@ -1,13 +1,25 @@
-nuclide,"(n,gamma)",fission
-U234,21.418670317831197,0.5014588470882195
-U235,10.343944102483244,47.46718472611891
-U238,0.8741166723597251,0.10829568455139126
-U236,9.083486784689326,0.3325287927011428
-O16,7.548646353912453e-05,0.0
-O17,0.0004018486221310307,0.0
-I135,6.6912565089429235,0.0
-Xe135,223998.64185667288,0.0
-Xe136,0.022934362666193576,0.0
-Cs135,2.28453952223533,0.0
-Gd157,12582.079620036275,0.0
-Gd156,2.9421127515332417,0.0
+nuclides,reactions,groups,xs
+U234,"(n,gamma)",1,21.418670317831076
+U234,fission,1,0.5014588470882162
+U235,"(n,gamma)",1,10.343944102483215
+U235,fission,1,47.46718472611895
+U238,"(n,gamma)",1,0.8741166723597229
+U238,fission,1,0.10829568455139067
+U236,"(n,gamma)",1,9.08348678468935
+U236,fission,1,0.3325287927011424
+O16,"(n,gamma)",1,7.548646353912426e-05
+O16,fission,1,0.0
+O17,"(n,gamma)",1,0.00040184862213103105
+O17,fission,1,0.0
+I135,"(n,gamma)",1,6.691256508942912
+I135,fission,1,0.0
+Xe135,"(n,gamma)",1,223998.6418566729
+Xe135,fission,1,0.0
+Xe136,"(n,gamma)",1,0.022934362666193503
+Xe136,fission,1,0.0
+Cs135,"(n,gamma)",1,2.2845395222353204
+Cs135,fission,1,0.0
+Gd157,"(n,gamma)",1,12582.07962003624
+Gd157,fission,1,0.0
+Gd156,"(n,gamma)",1,2.942112751533234
+Gd156,fission,1,0.0
diff --git a/tests/unit_tests/test_deplete_decay_products.py b/tests/unit_tests/test_deplete_decay_products.py
index 34ca1b067..751a96ca6 100644
--- a/tests/unit_tests/test_deplete_decay_products.py
+++ b/tests/unit_tests/test_deplete_decay_products.py
@@ -1,4 +1,5 @@
 import openmc.deplete
+import numpy as np
 import pytest
 
 
@@ -16,11 +17,14 @@ def test_deplete_decay_products(run_in_tmpdir):
 </depletion_chain>
         """)
 
+    # Create MicroXS object with no cross sections
+    micro_xs = openmc.deplete.MicroXS(np.empty((0, 0)), [], [])
+
     # Create depletion operator with no reactions
-    micro_xs = openmc.deplete.MicroXS()
     op = openmc.deplete.IndependentOperator.from_nuclides(
         volume=1.0,
         nuclides={'Li5': 1.0},
+        flux=0.0,
         micro_xs=micro_xs,
         chain_file='test_chain.xml',
         normalization_mode='source-rate'
diff --git a/tests/unit_tests/test_deplete_independent_operator.py b/tests/unit_tests/test_deplete_independent_operator.py
index f6cc7e200..813ac06de 100644
--- a/tests/unit_tests/test_deplete_independent_operator.py
+++ b/tests/unit_tests/test_deplete_independent_operator.py
@@ -4,14 +4,13 @@
 
 from pathlib import Path
 
-import pytest
 from openmc.deplete import IndependentOperator, MicroXS
 from openmc import Material, Materials
-import numpy as np
 
 CHAIN_PATH = Path(__file__).parents[1] / "chain_simple.xml"
 ONE_GROUP_XS = Path(__file__).parents[1] / "micro_xs_simple.csv"
 
+
 def test_operator_init():
     """The test uses a temporary dummy chain. This file will be removed
     at the end of the test, and only contains a depletion_chain node."""
@@ -22,15 +21,18 @@ def test_operator_init():
                 'U236': 4.5724195495061115e+18,
                 'O16': 4.639065406771322e+22,
                 'O17': 1.7588724018066158e+19}
+    flux = 1.0
     micro_xs = MicroXS.from_csv(ONE_GROUP_XS)
     IndependentOperator.from_nuclides(
-        volume, nuclides, micro_xs, CHAIN_PATH, nuc_units='atom/cm3')
+        volume, nuclides, flux, micro_xs, CHAIN_PATH, nuc_units='atom/cm3')
 
     fuel = Material(name="uo2")
     fuel.add_element("U", 1, percent_type="ao", enrichment=4.25)
     fuel.add_element("O", 2)
     fuel.set_density("g/cc", 10.4)
-    fuel.depletable=True
+    fuel.depletable = True
     fuel.volume = 1
     materials = Materials([fuel])
-    IndependentOperator(materials, micro_xs, CHAIN_PATH)
+    fluxes = [1.0]
+    micros = [micro_xs]
+    IndependentOperator(materials, fluxes, micros, CHAIN_PATH)
diff --git a/tests/unit_tests/test_deplete_microxs.py b/tests/unit_tests/test_deplete_microxs.py
index 557082eda..582c58465 100644
--- a/tests/unit_tests/test_deplete_microxs.py
+++ b/tests/unit_tests/test_deplete_microxs.py
@@ -43,17 +43,18 @@ def test_from_array():
                      [0., 0.],
                      [0., 0.1],
                      [0., 0.1]])
+    data.shape = (12, 2, 1)
 
-    MicroXS.from_array(nuclides, reactions, data)
+    MicroXS(data, nuclides, reactions)
     with pytest.raises(ValueError, match=r'Nuclides list of length \d* and '
                        r'reactions array of length \d* do not '
-                       r'match dimensions of data array of shape \(\d*\,d*\)'):
-        MicroXS.from_array(nuclides, reactions, data[:, 0])
+                       r'match dimensions of data array of shape \(\d*\, \d*\)'):
+        MicroXS(data[:, 0], nuclides, reactions)
 
 def test_csv():
     ref_xs = MicroXS.from_csv(ONE_GROUP_XS)
     ref_xs.to_csv('temp_xs.csv')
     temp_xs = MicroXS.from_csv('temp_xs.csv')
-    assert np.all(ref_xs == temp_xs)
+    assert np.all(ref_xs.data == temp_xs.data)
     remove('temp_xs.csv')
 

From 1cae2f712a947e863fa87328d92e9fc668dd1b94 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 1 Sep 2023 08:52:51 -0500
Subject: [PATCH 1928/2654] Prevent segfault in distance to boundary
 calculation (#2659)

---
 src/geometry.cpp                             |  3 +-
 tests/unit_tests/test_no_visible_boundary.py | 30 ++++++++++++++++++++
 2 files changed, 32 insertions(+), 1 deletion(-)
 create mode 100644 tests/unit_tests/test_no_visible_boundary.py

diff --git a/src/geometry.cpp b/src/geometry.cpp
index 5e015c1bc..47152e172 100644
--- a/src/geometry.cpp
+++ b/src/geometry.cpp
@@ -419,13 +419,14 @@ BoundaryInfo distance_to_boundary(Particle& p)
     double& d = info.distance;
     if (d_surf < d_lat - FP_COINCIDENT) {
       if (d == INFINITY || (d - d_surf) / d >= FP_REL_PRECISION) {
+        // Update closest distance
         d = d_surf;
 
         // If the cell is not simple, it is possible that both the negative and
         // positive half-space were given in the region specification. Thus, we
         // have to explicitly check which half-space the particle would be
         // traveling into if the surface is crossed
-        if (c.is_simple()) {
+        if (c.is_simple() || d == INFTY) {
           info.surface_index = level_surf_cross;
         } else {
           Position r_hit = r + d_surf * u;
diff --git a/tests/unit_tests/test_no_visible_boundary.py b/tests/unit_tests/test_no_visible_boundary.py
new file mode 100644
index 000000000..8f07b8da9
--- /dev/null
+++ b/tests/unit_tests/test_no_visible_boundary.py
@@ -0,0 +1,30 @@
+import openmc
+
+
+def test_no_visible_boundary(run_in_tmpdir):
+    copper = openmc.Material()
+    copper.add_nuclide('Cu63', 1.0)
+    copper.set_density('g/cm3', 0.3)
+    air = openmc.Material()
+    air.add_nuclide('N14', 1.0)
+    air.set_density('g/cm3', 0.0012)
+
+    # Create a simple model of a neutron source directly impinging on a thin
+    # disc of copper. Neutrons leaving the back of the disc see no surfaces in
+    # front of them.
+    disc = openmc.model.RightCircularCylinder((0., 0., 1.), 0.1, 1.2)
+    box = openmc.rectangular_prism(width=10, height=10, boundary_type='vacuum')
+    c1 = openmc.Cell(fill=copper, region=-disc)
+    c2 = openmc.Cell(fill=air, region=+disc & box)
+    model = openmc.Model()
+    model.geometry = openmc.Geometry([c1, c2])
+    model.settings.run_mode = 'fixed source'
+    model.settings.particles = 1000
+    model.settings.batches = 5
+    model.settings.source = openmc.IndependentSource(
+        space=openmc.stats.Point(),
+        angle=openmc.stats.Monodirectional((0., 0., 1.))
+    )
+
+    # Run model to ensure it doesn't segfault
+    model.run()

From 27540c5b8a0ca383da261a9309d2416cfe0f87c3 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 1 Sep 2023 14:31:37 -0500
Subject: [PATCH 1929/2654] Releasing ID after creating dummy universe for cell
 plotting (#2663)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/cell.py                |  5 ++++-
 tests/unit_tests/test_cell.py | 18 ++++++++++++++++++
 2 files changed, 22 insertions(+), 1 deletion(-)

diff --git a/openmc/cell.py b/openmc/cell.py
index 8572a640d..9a744910c 100644
--- a/openmc/cell.py
+++ b/openmc/cell.py
@@ -618,7 +618,10 @@ class Cell(IDManagerMixin):
             Axes containing resulting image
 
         """
-        return openmc.Universe(cells=[self]).plot(*args, **kwargs)
+        # Create dummy universe but preserve used_ids
+        u = openmc.Universe(cells=[self], universe_id=openmc.Universe.next_id + 1)
+        openmc.Universe.used_ids.remove(u.id)
+        return u.plot(*args, **kwargs)
 
     def create_xml_subelement(self, xml_element, memo=None):
         """Add the cell's xml representation to an incoming xml element
diff --git a/tests/unit_tests/test_cell.py b/tests/unit_tests/test_cell.py
index 1df3df9c5..888a0ef88 100644
--- a/tests/unit_tests/test_cell.py
+++ b/tests/unit_tests/test_cell.py
@@ -345,3 +345,21 @@ def test_rotation_from_xml(rotation):
         elem, {s.id: s}, {'void': None}, openmc.Universe
     )
     np.testing.assert_allclose(new_cell.rotation, cell.rotation)
+
+
+def test_plot(run_in_tmpdir):
+    zcyl = openmc.ZCylinder()
+    c = openmc.Cell(region=-zcyl)
+
+    # create a universe before the plot
+    u_before = openmc.Universe()
+
+    # create a plot of the cell
+    c.plot()
+
+    # create a universe after the plot
+    u_after = openmc.Universe()
+
+    # ensure that calling the plot method doesn't
+    # affect the universe ID space
+    assert u_before.id + 1 == u_after.id

From 20877c61a1a4d6b9d26e73364c1a23b4dfb0b050 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Fri, 1 Sep 2023 20:32:08 +0100
Subject: [PATCH 1930/2654] Adding helpful info to keyerror for
 StepResults.get_material (#2674)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/deplete/stepresult.py | 14 +++++++++++++-
 1 file changed, 13 insertions(+), 1 deletion(-)

diff --git a/openmc/deplete/stepresult.py b/openmc/deplete/stepresult.py
index 9af6b5fee..a3aacae41 100644
--- a/openmc/deplete/stepresult.py
+++ b/openmc/deplete/stepresult.py
@@ -214,11 +214,23 @@ class StepResult:
         -------
         openmc.Material
             Equivalent material
+
+        Raises
+        ------
+        KeyError
+            If specified material ID is not found in the StepResult
+
         """
         with warnings.catch_warnings():
             warnings.simplefilter('ignore', openmc.IDWarning)
             material = openmc.Material(material_id=int(mat_id))
-        vol = self.volume[mat_id]
+        try:
+            vol = self.volume[mat_id]
+        except KeyError as e:
+            raise KeyError(
+                f'mat_id {mat_id} not found in StepResult. Available mat_id '
+                f'values are {list(self.volume.keys())}'
+            ) from e
         for nuc, _ in sorted(self.index_nuc.items(), key=lambda x: x[1]):
             atoms = self[0, mat_id, nuc]
             if atoms < 0.0:

From 7a13bf6f0fa17b57f549517c1df8e478a69b32a2 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 1 Sep 2023 21:43:19 -0500
Subject: [PATCH 1931/2654] Update documentation around use of source classes
 (#2679)

---
 docs/source/io_formats/settings.rst |  5 +-
 docs/source/pythonapi/base.rst      |  8 +--
 docs/source/usersguide/settings.rst | 90 ++++++++++++++++-------------
 docs/source/usersguide/tallies.rst  |  6 +-
 4 files changed, 59 insertions(+), 50 deletions(-)

diff --git a/docs/source/io_formats/settings.rst b/docs/source/io_formats/settings.rst
index a52de1b90..db90d93dc 100644
--- a/docs/source/io_formats/settings.rst
+++ b/docs/source/io_formats/settings.rst
@@ -508,14 +508,15 @@ attributes/sub-elements:
       as a unique pointer. This function can be used to pass parameters through to
       the source from the XML, if needed.
 
-    More documentation on how to build sources can be found in :ref:`custom_source`.
+    More documentation on how to build sources can be found in
+    :ref:`compiled_source`.
 
   :parameters:
     If this attribute is given, it indicated that the source type is
     ``compiled``. Its value provides the parameters to pass through to the class
     generated using the ``library`` parameter. More documentation on how to
     build parametrized sources can be found in
-    :ref:`parameterized_custom_source`.
+    :ref:`parameterized_compiled_source`.
 
   :space:
     An element specifying the spatial distribution of source sites. This element
diff --git a/docs/source/pythonapi/base.rst b/docs/source/pythonapi/base.rst
index ffd521a75..afecaff53 100644
--- a/docs/source/pythonapi/base.rst
+++ b/docs/source/pythonapi/base.rst
@@ -21,7 +21,10 @@ Simulation Settings
    :nosignatures:
    :template: myclass.rst
 
-   openmc.Source
+   openmc.SourceBase
+   openmc.IndependentSource
+   openmc.FileSource
+   openmc.CompiledSource
    openmc.SourceParticle
    openmc.VolumeCalculation
    openmc.Settings
@@ -42,9 +45,6 @@ Material Specification
    :nosignatures:
    :template: myclass.rst
 
-   openmc.Nuclide
-   openmc.Element
-   openmc.Macroscopic
    openmc.Material
    openmc.Materials
 
diff --git a/docs/source/usersguide/settings.rst b/docs/source/usersguide/settings.rst
index 69089d14d..81fa78991 100644
--- a/docs/source/usersguide/settings.rst
+++ b/docs/source/usersguide/settings.rst
@@ -169,16 +169,19 @@ External Source Distributions
 
 External source distributions can be specified through the
 :attr:`Settings.source` attribute. If you have a single external source, you can
-create an instance of :class:`openmc.Source` and use it to set the
-:attr:`Settings.source` attribute. If you have multiple external sources with
-varying source strengths, :attr:`Settings.source` should be set to a list of
-:class:`openmc.Source` objects.
+create an instance of any of the subclasses of :class:`openmc.SourceBase`
+(:class:`openmc.IndependentSource`, :class:`openmc.FileSource`,
+:class:`openmc.CompiledSource`) and use it to set the :attr:`Settings.source`
+attribute. If you have multiple external sources with varying source strengths,
+:attr:`Settings.source` should be set to a list of :class:`openmc.SourceBase`
+objects.
 
-The :class:`openmc.Source` class has four main attributes that one can set:
-:attr:`Source.space`, which defines the spatial distribution,
-:attr:`Source.angle`, which defines the angular distribution,
-:attr:`Source.energy`, which defines the energy distribution, and
-:attr:`Source.time`, which defines the time distribution.
+The :class:`openmc.IndependentSource` class is the primary class for defining
+source distributions and has four main attributes that one can set:
+:attr:`IndependentSource.space`, which defines the spatial distribution,
+:attr:`IndependentSource.angle`, which defines the angular distribution,
+:attr:`IndependentSource.energy`, which defines the energy distribution, and
+:attr:`IndependentSource.time`, which defines the time distribution.
 
 The spatial distribution can be set equal to a sub-class of
 :class:`openmc.stats.Spatial`; common choices are :class:`openmc.stats.Point` or
@@ -232,10 +235,10 @@ would run::
   source.time = openmc.stats.Uniform(0, 1e-6)
   settings.source = source
 
-The :class:`openmc.Source` class also has a :attr:`Source.strength` attribute
-that indicates the relative strength of a source distribution if multiple are
-used. For example, to create two sources, one that should be sampled 70% of the
-time and another that should be sampled 30% of the time::
+All subclasses of :class:`openmc.SourceBase` have a :attr:`SourceBase.strength`
+attribute that indicates the relative strength of a source distribution if
+multiple are used. For example, to create two sources, one that should be
+sampled 70% of the time and another that should be sampled 30% of the time::
 
   src1 = openmc.IndependentSource()
   src1.strength = 0.7
@@ -247,9 +250,9 @@ time and another that should be sampled 30% of the time::
 
   settings.source = [src1, src2]
 
-Finally, the :attr:`Source.particle` attribute can be used to indicate the
-source should be composed of particles other than neutrons. For example, the
-following would generate a photon source::
+Finally, the :attr:`IndependentSource.particle` attribute can be used to
+indicate the source should be composed of particles other than neutrons. For
+example, the following would generate a photon source::
 
   source = openmc.IndependentSource()
   source.particle = 'photon'
@@ -263,10 +266,10 @@ For a full list of all classes related to statistical distributions, see
 File-based Sources
 ------------------
 
-OpenMC can use a pregenerated HDF5 source file by specifying the ``filename``
-argument to :class:`openmc.Source`::
+OpenMC can use a pregenerated HDF5 source file through the
+:class:`openmc.FileSource` class::
 
-  settings.source = openmc.IndependentSource(filename='source.h5')
+  settings.source = openmc.FileSource('source.h5')
 
 Statepoint and source files are generated automatically when a simulation is run
 and can be used as the starting source in a new simulation. Alternatively, a
@@ -286,10 +289,10 @@ attribute::
 In this example, at most 10,000 source particles are stored when particles cross
 surfaces with IDs of 1, 2, or 3.
 
-.. _custom_source:
+.. _compiled_source:
 
-Custom Sources
---------------
+Compiled Sources
+----------------
 
 It is often the case that one may wish to simulate a complex source distribution
 that is not possible to represent with the classes described above. For these
@@ -305,7 +308,7 @@ below.
   #include "openmc/source.h"
   #include "openmc/particle.h"
 
-  class CustomSource : public openmc::Source
+  class CompiledSource : public openmc::Source
   {
     openmc::SourceSite sample(uint64_t* seed) const
     {
@@ -327,9 +330,9 @@ below.
     }
   };
 
-  extern "C" std::unique_ptr<CustomSource> openmc_create_source(std::string parameters)
+  extern "C" std::unique_ptr<CompiledSource> openmc_create_source(std::string parameters)
   {
-    return std::make_unique<CustomSource>();
+    return std::make_unique<CompiledSource>();
   }
 
 The above source creates monodirectional 14.08 MeV neutrons that are distributed
@@ -356,19 +359,21 @@ OpenMC shared library. This can be done by writing a CMakeLists.txt file:
    target_link_libraries(source OpenMC::libopenmc)
 
 After running ``cmake`` and ``make``, you will have a libsource.so (or .dylib)
-file in your build directory. Setting the :attr:`openmc.Source.library`
-attribute to the path of this shared library will indicate that it should be
-used for sampling source particles at runtime.
+file in your build directory. You can then use this as an external source during
+an OpenMC run by passing the path of the shared library to the
+:class:`openmc.CompiledSource` class, which is then set as the
+:attr:`Settings.source` attribute::
 
-.. _parameterized_custom_source:
+  settings.source = openmc.CompiledSource('libsource.so')
 
-Custom Parameterized Sources
-----------------------------
+.. _parameterized_compiled_source:
 
-Some custom sources may have values (parameters) that can be changed between
-runs. This is supported by using the ``openmc_create_source()`` function to
-pass parameters defined in the :attr:`openmc.Source.parameters` attribute to
-the source class when it is created:
+Parameterized Compiled Sources
+------------------------------
+
+Some compiled sources may have values (parameters) that can be changed between
+runs. This is supported by using the ``openmc_create_source()`` function to pass
+parameters to the source class when it is created:
 
 .. code-block:: c++
 
@@ -377,9 +382,9 @@ the source class when it is created:
   #include "openmc/source.h"
   #include "openmc/particle.h"
 
-  class CustomSource : public openmc::Source {
+  class CompiledSource : public openmc::Source {
   public:
-    CustomSource(double energy) : energy_{energy} { }
+    CompiledSource(double energy) : energy_{energy} { }
 
     // Samples from an instance of this class.
     openmc::SourceSite sample(uint64_t* seed) const
@@ -404,13 +409,16 @@ the source class when it is created:
     double energy_;
   };
 
-  extern "C" std::unique_ptr<CustomSource> openmc_create_source(std::string parameter) {
+  extern "C" std::unique_ptr<CompiledSource> openmc_create_source(std::string parameter) {
     double energy = std::stod(parameter);
-    return std::make_unique<CustomSource>(energy);
+    return std::make_unique<CompiledSource>(energy);
   }
 
-As with the basic custom source functionality, the custom source library
-location must be provided in the :attr:`openmc.Source.library` attribute.
+When creating an instance of the :class:`openmc.CompiledSource` class, you will
+need to pass both the path of the shared library as well as the parameters as a
+string, which gets passed down to the ``openmc_create_source()`` function::
+
+  settings.source = openmc.CompiledSource('libsource.so', '3.5e6')
 
 .. _usersguide_entropy:
 
diff --git a/docs/source/usersguide/tallies.rst b/docs/source/usersguide/tallies.rst
index 28ce6795f..02328af58 100644
--- a/docs/source/usersguide/tallies.rst
+++ b/docs/source/usersguide/tallies.rst
@@ -318,9 +318,9 @@ The following tables show all valid scores:
     |                      |NJOY's HEATR module.                               |
     +----------------------+---------------------------------------------------+
     |pulse-height          |The energy deposited by an entire photon's history |
-    |                      |(including its progeny). Units are eV per source   | 
+    |                      |(including its progeny). Units are eV per source   |
     |                      |particle. Note that this score can only be combined|
-    |                      |with a cell filter and an energy filter.           |   
+    |                      |with a cell filter and an energy filter.           |
     +----------------------+---------------------------------------------------+
 
 .. _usersguide_tally_normalization:
@@ -337,7 +337,7 @@ it is usually straightforward to convert units if the source rate is known. For
 example, if the system being modeled includes a source that is emitting 10\
 :sup:`4` neutrons per second, the tally results just need to be multipled by 10\
 :sup:`4`. This can either be done manually or using the
-:attr:`openmc.Source.strength` attribute.
+:attr:`openmc.SourceBase.strength` attribute.
 
 For a :math:`k`\ -eigenvalue calculation, normalizing tally results is not as
 simple because the source rate is not actually known. Instead, we typically know

From 2de2023c055c8250f98d4908367721b8da7593ef Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Mon, 4 Sep 2023 08:52:23 +0100
Subject: [PATCH 1932/2654] Adding missing origin to
 CylindricalMesh.from_domain (#2676)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/mesh.py                            | 19 ++++++++++++-------
 tests/unit_tests/test_mesh_from_domain.py |  1 +
 2 files changed, 13 insertions(+), 7 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 5313ebb39..7ef1978ef 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -1188,7 +1188,8 @@ class CylindricalMesh(StructuredMesh):
         1-D array of mesh boundary points along the r-axis.
         Requirement is r >= 0.
     z_grid : numpy.ndarray
-        1-D array of mesh boundary points along the z-axis.
+        1-D array of mesh boundary points along the z-axis relative to the
+        origin.
     phi_grid : numpy.ndarray
         1-D array of mesh boundary points along the phi-axis in radians.
         The default value is [0, 2π], i.e. the full phi range.
@@ -1207,8 +1208,7 @@ class CylindricalMesh(StructuredMesh):
     name : str
         Name of the mesh
     dimension : Iterable of int
-        The number of mesh cells in each direction (r_grid,
-        phi_grid, z_grid).
+        The number of mesh cells in each direction (r_grid, phi_grid, z_grid).
     n_dimension : int
         Number of mesh dimensions (always 3 for a CylindricalMesh).
     r_grid : numpy.ndarray
@@ -1218,7 +1218,8 @@ class CylindricalMesh(StructuredMesh):
         1-D array of mesh boundary points along the phi-axis in radians.
         The default value is [0, 2π], i.e. the full phi range.
     z_grid : numpy.ndarray
-        1-D array of mesh boundary points along the z-axis.
+        1-D array of mesh boundary points along the z-axis relative to the
+        origin.
     origin : numpy.ndarray
         1-D array of length 3 the (x,y,z) origin of the mesh in
         cartesian coordinates
@@ -1314,7 +1315,6 @@ class CylindricalMesh(StructuredMesh):
                 for p in range(1, np + 1)
                 for r in range(1, nr + 1))
 
-
     @property
     def lower_left(self):
         return np.array((
@@ -1413,7 +1413,6 @@ class CylindricalMesh(StructuredMesh):
             (openmc.Cell, openmc.Region, openmc.Universe, openmc.Geometry),
         )
 
-
         # loaded once to avoid reading h5m file repeatedly
         cached_bb = domain.bounding_box
         max_bounding_box_radius = max(
@@ -1439,8 +1438,14 @@ class CylindricalMesh(StructuredMesh):
             cached_bb[1][2],
             num=dimension[2]+1
         )
+        origin = cached_bb.center
         mesh = cls(
-            r_grid=r_grid, z_grid=z_grid, phi_grid=phi_grid, mesh_id=mesh_id, name=name
+            r_grid=r_grid,
+            z_grid=z_grid,
+            phi_grid=phi_grid,
+            mesh_id=mesh_id,
+            name=name,
+            origin=origin
         )
 
         return mesh
diff --git a/tests/unit_tests/test_mesh_from_domain.py b/tests/unit_tests/test_mesh_from_domain.py
index 015c8f88f..a71721747 100644
--- a/tests/unit_tests/test_mesh_from_domain.py
+++ b/tests/unit_tests/test_mesh_from_domain.py
@@ -30,6 +30,7 @@ def test_cylindrical_mesh_from_cell():
     assert np.array_equal(mesh.r_grid, [0., 25., 50.])
     assert np.array_equal(mesh.phi_grid, [0., 0.5*np.pi, np.pi, 1.5*np.pi, 2.*np.pi])
     assert np.array_equal(mesh.z_grid, [0., 10., 20., 30.])
+    assert np.array_equal(mesh.origin, [0., 0., 15.])
 
 
 def test_reg_mesh_from_region():

From a42b9ba4f9b95960a885c787688df37f5d738963 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Mon, 4 Sep 2023 22:08:47 +0100
Subject: [PATCH 1933/2654] cy mesh origin from start of z_grid and _r_grid
 (#2680)

---
 openmc/mesh.py                            |  4 +--
 tests/unit_tests/test_mesh_from_domain.py | 30 +++++++++++++++++++----
 2 files changed, 27 insertions(+), 7 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 7ef1978ef..d075f735e 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -1413,7 +1413,7 @@ class CylindricalMesh(StructuredMesh):
             (openmc.Cell, openmc.Region, openmc.Universe, openmc.Geometry),
         )
 
-        # loaded once to avoid reading h5m file repeatedly
+        # loaded once to avoid recalculating bounding box
         cached_bb = domain.bounding_box
         max_bounding_box_radius = max(
             [
@@ -1438,7 +1438,7 @@ class CylindricalMesh(StructuredMesh):
             cached_bb[1][2],
             num=dimension[2]+1
         )
-        origin = cached_bb.center
+        origin = (cached_bb.center[0], cached_bb.center[1], z_grid[0])
         mesh = cls(
             r_grid=r_grid,
             z_grid=z_grid,
diff --git a/tests/unit_tests/test_mesh_from_domain.py b/tests/unit_tests/test_mesh_from_domain.py
index a71721747..c75e8fd07 100644
--- a/tests/unit_tests/test_mesh_from_domain.py
+++ b/tests/unit_tests/test_mesh_from_domain.py
@@ -18,10 +18,11 @@ def test_reg_mesh_from_cell():
 
 def test_cylindrical_mesh_from_cell():
     """Tests a CylindricalMesh can be made from a Cell and the specified
-    dimensions are propagated through. Cell is not centralized"""
+    dimensions are propagated through."""
+    # Cell is not centralized on Z axis
     cy_surface = openmc.ZCylinder(r=50)
-    z_surface_1 = openmc.ZPlane(z0=30)
-    z_surface_2 = openmc.ZPlane(z0=0)
+    z_surface_1 = openmc.ZPlane(z0=40)
+    z_surface_2 = openmc.ZPlane(z0=10)
     cell = openmc.Cell(region=-cy_surface & -z_surface_1 & +z_surface_2)
     mesh = openmc.CylindricalMesh.from_domain(domain=cell, dimension=[2, 4, 3])
 
@@ -29,8 +30,27 @@ def test_cylindrical_mesh_from_cell():
     assert np.array_equal(mesh.dimension, (2, 4, 3))
     assert np.array_equal(mesh.r_grid, [0., 25., 50.])
     assert np.array_equal(mesh.phi_grid, [0., 0.5*np.pi, np.pi, 1.5*np.pi, 2.*np.pi])
-    assert np.array_equal(mesh.z_grid, [0., 10., 20., 30.])
-    assert np.array_equal(mesh.origin, [0., 0., 15.])
+    assert np.array_equal(mesh.z_grid, [10., 20., 30., 40.])
+    assert np.array_equal(mesh.origin, [0., 0., 10.])
+
+    # Cell is not centralized on Z or X axis
+    cy_surface = openmc.ZCylinder(r=50, x0=100)
+    cell = openmc.Cell(region=-cy_surface & -z_surface_1 & +z_surface_2)
+    mesh = openmc.CylindricalMesh.from_domain(domain=cell, dimension=[1, 1, 1])
+
+    assert isinstance(mesh, openmc.CylindricalMesh)
+    assert np.array_equal(mesh.dimension, (1, 1, 1))
+    assert np.array_equal(mesh.r_grid, [0., 150.])
+    assert np.array_equal(mesh.origin, [100., 0., 10.])
+
+    # Cell is not centralized on Z, X or Y axis
+    cy_surface = openmc.ZCylinder(r=50, x0=100, y0=170)
+    cell = openmc.Cell(region=-cy_surface & -z_surface_1 & +z_surface_2)
+    mesh = openmc.CylindricalMesh.from_domain(domain=cell, dimension=[1, 1, 1])
+
+    assert isinstance(mesh, openmc.CylindricalMesh)
+    assert np.array_equal(mesh.r_grid, [0., 220.])
+    assert np.array_equal(mesh.origin, [100., 170., 10.])
 
 
 def test_reg_mesh_from_region():

From a125f815002a24fab02a62b847cd0d240ff994d4 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Tue, 5 Sep 2023 05:39:02 +0100
Subject: [PATCH 1934/2654] fix docker image building for openmc+dagmc
 combination (#2678)

---
 Dockerfile | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/Dockerfile b/Dockerfile
index ae59ec089..fa223bd22 100644
--- a/Dockerfile
+++ b/Dockerfile
@@ -91,7 +91,7 @@ RUN cd $HOME \
 RUN if [ "$build_dagmc" = "on" ]; then \
         # Install addition packages required for DAGMC
         apt-get -y install libeigen3-dev libnetcdf-dev libtbb-dev libglfw3-dev \
-        && pip install --upgrade numpy cython \
+        && pip install --upgrade numpy "cython<3.0" \
         # Clone and install EMBREE
         && mkdir -p $HOME/EMBREE && cd $HOME/EMBREE \
         && git clone --single-branch -b ${EMBREE_TAG} --depth 1 ${EMBREE_REPO} \

From be7a9c375a7763fed3c529cfb4263543d0309940 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Wed, 6 Sep 2023 04:25:47 +0100
Subject: [PATCH 1935/2654] cylindrical mesh lower left Z value corrected
 (#2684)

---
 openmc/mesh.py                |  2 +-
 tests/unit_tests/test_mesh.py | 13 +++++++++----
 2 files changed, 10 insertions(+), 5 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index d075f735e..60a1c0c93 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -1320,7 +1320,7 @@ class CylindricalMesh(StructuredMesh):
         return np.array((
             self.origin[0] - self.r_grid[-1],
             self.origin[1] - self.r_grid[-1],
-            self.origin[2] - self.z_grid[-1]
+            self.origin[2] + self.z_grid[0]
         ))
 
     @property
diff --git a/tests/unit_tests/test_mesh.py b/tests/unit_tests/test_mesh.py
index 480104154..77b40b44f 100644
--- a/tests/unit_tests/test_mesh.py
+++ b/tests/unit_tests/test_mesh.py
@@ -56,21 +56,26 @@ def test_cylindrical_mesh_bounding_box():
         origin=(0, 0, 0)
     )
     np.testing.assert_array_equal(mesh.upper_right, (1, 1, 1))
-    np.testing.assert_array_equal(mesh.lower_left, (-1, -1, -1))
+    np.testing.assert_array_equal(mesh.lower_left, (-1, -1, 0.1))
     bb = mesh.bounding_box
     assert isinstance(bb, openmc.BoundingBox)
-    np.testing.assert_array_equal(bb.lower_left, (-1, -1, -1))
+    np.testing.assert_array_equal(bb.lower_left, (-1, -1, 0.1))
     np.testing.assert_array_equal(bb.upper_right, (1, 1, 1))
 
     # test with mesh at origin (3, 5, 7)
     mesh.origin = (3, 5, 7)
     np.testing.assert_array_equal(mesh.upper_right, (4, 6, 8))
-    np.testing.assert_array_equal(mesh.lower_left, (2, 4, 6))
+    np.testing.assert_array_equal(mesh.lower_left, (2, 4, 7.1))
     bb = mesh.bounding_box
     assert isinstance(bb, openmc.BoundingBox)
-    np.testing.assert_array_equal(bb.lower_left, (2, 4, 6))
+    np.testing.assert_array_equal(bb.lower_left, (2, 4, 7.1))
     np.testing.assert_array_equal(bb.upper_right, (4, 6, 8))
 
+    # changing z grid to contain negative numbers
+    mesh.z_grid = [-10, 0, 10]
+    np.testing.assert_array_equal(mesh.lower_left, (2, 4, -3))
+    np.testing.assert_array_equal(mesh.upper_right, (4, 6, 17))
+
 
 def test_spherical_mesh_bounding_box():
     # test with mesh at origin (0, 0, 0)

From 7505f61b2266d5879040f23c9c09c5f64cb1c5d3 Mon Sep 17 00:00:00 2001
From: Hunter Belanger <hunter.belanger@gmail.com>
Date: Wed, 6 Sep 2023 10:11:24 -0400
Subject: [PATCH 1936/2654] Warn users about bad equiprobable angles in S(a,b)
 (#2675)

Co-authored-by: Gavin Ridley <gavin.keith.ridley@gmail.com>
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/data/thermal.py | 9 +++++++++
 1 file changed, 9 insertions(+)

diff --git a/openmc/data/thermal.py b/openmc/data/thermal.py
index b6e700a0c..994a8ed2a 100644
--- a/openmc/data/thermal.py
+++ b/openmc/data/thermal.py
@@ -676,6 +676,15 @@ class ThermalScattering(EqualityMixin):
                     # here, because they are equiprobable, so the order
                     # doesn't matter.
                     mu.sort()
+
+                    # Older versions of NJOY had a bug, and the discrete
+                    # scattering angles could sometimes be less than -1 or
+                    # greater than 1. We check for this here, and warn users.
+                    if mu[0] < -1. or mu[-1] > 1.:
+                        warn('S(a,b) scattering angle for incident energy index '
+                             f'{i} and exit energy index {j} outside of the '
+                             'interval [-1, 1].')
+
                     p_mu = 1. / n_mu * np.ones(n_mu)
                     mu_ij = Discrete(mu, p_mu)
                     mu_ij.c = np.cumsum(p_mu)

From f46d3ee37c36be746dddba24df99263a2ba89757 Mon Sep 17 00:00:00 2001
From: John Tramm <john.tramm@gmail.com>
Date: Mon, 11 Sep 2023 12:26:46 -0500
Subject: [PATCH 1937/2654] Streamlined URR PRNG stream selection to avoid
 unneeded store/load ops (#2689)

---
 src/nuclide.cpp | 5 ++---
 src/physics.cpp | 4 +---
 2 files changed, 3 insertions(+), 6 deletions(-)

diff --git a/src/nuclide.cpp b/src/nuclide.cpp
index 8f73a5309..6b70ad9e3 100644
--- a/src/nuclide.cpp
+++ b/src/nuclide.cpp
@@ -857,9 +857,8 @@ void Nuclide::calculate_urr_xs(int i_temp, Particle& p) const
   // This guarantees the randomness and, at the same time, makes sure we
   // reuse random numbers for the same nuclide at different temperatures,
   // therefore preserving correlation of temperature in probability tables.
-  p.stream() = STREAM_URR_PTABLE;
-  double r = future_prn(static_cast<int64_t>(index_), *p.current_seed());
-  p.stream() = STREAM_TRACKING;
+  double r =
+    future_prn(static_cast<int64_t>(index_), p.seeds(STREAM_URR_PTABLE));
 
   // Warning: this assumes row-major order of cdf_values_
   int i_low = upper_bound_index(&urr.cdf_values_(i_energy, 0),
diff --git a/src/physics.cpp b/src/physics.cpp
index 28c316c68..7101a2969 100644
--- a/src/physics.cpp
+++ b/src/physics.cpp
@@ -150,9 +150,7 @@ void sample_neutron_reaction(Particle& p)
 
   // Advance URR seed stream 'N' times after energy changes
   if (p.E() != p.E_last()) {
-    p.stream() = STREAM_URR_PTABLE;
-    advance_prn_seed(data::nuclides.size(), p.current_seed());
-    p.stream() = STREAM_TRACKING;
+    advance_prn_seed(data::nuclides.size(), &p.seeds(STREAM_URR_PTABLE));
   }
 
   // Play russian roulette if survival biasing is turned on

From 1c82dfcc1c6eb39839dd6e4263887e1dae11fd59 Mon Sep 17 00:00:00 2001
From: Lorenzo Chierici <l.chierici89@gmail.com>
Date: Wed, 13 Sep 2023 19:15:44 +0200
Subject: [PATCH 1938/2654] Transfer rates multiple destination (#2626)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/deplete/chain.py                       | 38 ++++++++++---------
 openmc/deplete/transfer_rates.py              | 20 ++++++----
 .../deplete_with_transfer_rates/test.py       |  2 +-
 .../unit_tests/test_deplete_transfer_rates.py | 37 +++++++++++++++---
 4 files changed, 65 insertions(+), 32 deletions(-)

diff --git a/openmc/deplete/chain.py b/openmc/deplete/chain.py
index 5c80b1842..4076995d8 100644
--- a/openmc/deplete/chain.py
+++ b/openmc/deplete/chain.py
@@ -686,16 +686,16 @@ class Chain:
         dict.update(matrix_dok, matrix)
         return matrix_dok.tocsr()
 
-    def form_rr_term(self, transfer_rates, materials):
+    def form_rr_term(self, tr_rates, mats):
         """Function to form the transfer rate term matrices.
 
         .. versionadded:: 0.13.4
 
         Parameters
         ----------
-        transfer_rates : openmc.deplete.TransferRates
+        tr_rates : openmc.deplete.TransferRates
             Instance of openmc.deplete.TransferRates
-        materials : string or two-tuple of strings
+        mats : string or two-tuple of strings
             Two cases are possible:
 
             1) Material ID as string:
@@ -719,25 +719,27 @@ class Chain:
         """
         matrix = defaultdict(float)
 
-        for i, nuclide in enumerate(self.nuclides):
-            element = re.split(r'\d+', nuclide.name)[0]
+        for i, nuc in enumerate(self.nuclides):
+            elm = re.split(r'\d+', nuc.name)[0]
             # Build transfer terms matrices
-            if isinstance(materials, str):
-                material = materials
-                components = transfer_rates.get_components(material)
-                if element in components:
-                    matrix[i, i] = transfer_rates.get_transfer_rate(material, element)
-                elif nuclide.name in components:
-                    matrix[i, i] = transfer_rates.get_transfer_rate(material, nuclide.name)
+            if isinstance(mats, str):
+                mat = mats
+                components = tr_rates.get_components(mat)
+                if elm in components:
+                    matrix[i, i] = sum(tr_rates.get_transfer_rate(mat, elm))
+                elif nuc.name in components:
+                    matrix[i, i] = sum(tr_rates.get_transfer_rate(mat, nuc.name))
                 else:
                     matrix[i, i] = 0.0
             #Build transfer terms matrices
-            elif isinstance(materials, tuple):
-                destination_material, material = materials
-                if transfer_rates.get_destination_material(material, element) == destination_material:
-                    matrix[i, i] = transfer_rates.get_transfer_rate(material, element)
-                elif transfer_rates.get_destination_material(material, nuclide.name) == destination_material:
-                    matrix[i, i] = transfer_rates.get_transfer_rate(material, nuclide.name)
+            elif isinstance(mats, tuple):
+                dest_mat, mat = mats
+                if dest_mat in tr_rates.get_destination_material(mat, elm):
+                    dest_mat_idx = tr_rates.get_destination_material(mat, elm).index(dest_mat)
+                    matrix[i, i] = tr_rates.get_transfer_rate(mat, elm)[dest_mat_idx]
+                elif dest_mat in tr_rates.get_destination_material(mat, nuc.name):
+                    dest_mat_idx = tr_rates.get_destination_material(mat, nuc.name).index(dest_mat)
+                    matrix[i, i] = tr_rates.get_transfer_rate(mat, nuc.name)[dest_mat_idx]
                 else:
                     matrix[i, i] = 0.0
             #Nothing else is allowed
diff --git a/openmc/deplete/transfer_rates.py b/openmc/deplete/transfer_rates.py
index ad75c6c20..da0bb338f 100644
--- a/openmc/deplete/transfer_rates.py
+++ b/openmc/deplete/transfer_rates.py
@@ -91,13 +91,13 @@ class TransferRates:
 
         Returns
         -------
-        transfer_rate : float
-            Transfer rate value
+        transfer_rate : list of floats
+            Transfer rate values
 
         """
         material_id = self._get_material_id(material)
         check_type('component', component, str)
-        return self.transfer_rates[material_id][component][0]
+        return [i[0] for i in self.transfer_rates[material_id][component]]
 
     def get_destination_material(self, material, component):
         """Return destination material for given material and
@@ -112,7 +112,7 @@ class TransferRates:
 
         Returns
         -------
-        destination_material_id : str
+        destination_material_id : list of str
             Depletable material ID to where the element or nuclide gets
             transferred
 
@@ -120,7 +120,9 @@ class TransferRates:
         material_id = self._get_material_id(material)
         check_type('component', component, str)
         if component in self.transfer_rates[material_id]:
-            return self.transfer_rates[material_id][component][1]
+            return [i[1] for i in self.transfer_rates[material_id][component]]
+        else:
+            return []
 
     def get_components(self, material):
         """Extract removing elements and/or nuclides for a given material
@@ -217,7 +219,11 @@ class TransferRates:
                                          f'where element {element} already has '
                                          'a transfer rate.')
 
-            self.transfer_rates[material_id][component] = \
-                transfer_rate / unit_conv, destination_material_id
+            if component in self.transfer_rates[material_id]:
+                self.transfer_rates[material_id][component].append(
+                    (transfer_rate / unit_conv, destination_material_id))
+            else:
+                self.transfer_rates[material_id][component] = [
+                    (transfer_rate / unit_conv, destination_material_id)]
             if destination_material_id is not None:
                 self.index_transfer.add((destination_material_id, material_id))
diff --git a/tests/regression_tests/deplete_with_transfer_rates/test.py b/tests/regression_tests/deplete_with_transfer_rates/test.py
index d6d58bbc0..4084a47fe 100644
--- a/tests/regression_tests/deplete_with_transfer_rates/test.py
+++ b/tests/regression_tests/deplete_with_transfer_rates/test.py
@@ -82,5 +82,5 @@ def test_transfer_rates(run_in_tmpdir, model, rate, dest_mat, power, ref_result)
     res_ref = openmc.deplete.Results(path_reference)
     res_test = openmc.deplete.Results(path_test)
 
-    assert_atoms_equal(res_ref, res_test)
+    assert_atoms_equal(res_ref, res_test, 1e-4)
     assert_reaction_rates_equal(res_ref, res_test)
diff --git a/tests/unit_tests/test_deplete_transfer_rates.py b/tests/unit_tests/test_deplete_transfer_rates.py
index 35f2502df..0e0c89497 100644
--- a/tests/unit_tests/test_deplete_transfer_rates.py
+++ b/tests/unit_tests/test_deplete_transfer_rates.py
@@ -27,16 +27,25 @@ def model():
     w.set_density("g/cc", 1.0)
     w.depletable = True
 
+    # material just to test multiple destination material
+    h = openmc.Material(name="h")
+    h.add_element("He", 1)
+    h.set_density("g/cc", 1.78e-4)
+    h.depletable = True
+
     radii = [0.42, 0.45]
     f.volume = np.pi * radii[0] ** 2
     w.volume = np.pi * (radii[1]**2 - radii[0]**2)
-    materials = openmc.Materials([f, w])
+    h.volume = 1
+    materials = openmc.Materials([f, w, h])
 
     surf_f = openmc.Sphere(r=radii[0])
     surf_w = openmc.Sphere(r=radii[1], boundary_type='vacuum')
+    surf_h = openmc.Sphere(x0=10, r=1, boundary_type='vacuum')
     cell_f = openmc.Cell(fill=f, region=-surf_f)
     cell_w = openmc.Cell(fill=w, region=+surf_f & -surf_w)
-    geometry = openmc.Geometry([cell_f, cell_w])
+    cell_h = openmc.Cell(fill=h, region=-surf_h)
+    geometry = openmc.Geometry([cell_f, cell_w, cell_h])
 
     settings = openmc.Settings()
     settings.particles = 1000
@@ -52,6 +61,8 @@ def model():
                            'Xe': 0.1}),
     ('elements_nuclides', {'U': 0.01, 'Xe': 0.1, 'I135': 0.01, 'Gd156': 0.1,
                            'Gd157': 0.01}),
+    ('multiple_transfer', {'U': 0.01, 'Xe': 0.1, 'I135': 0.01, 'Gd156': 0.1,
+                           'Gd157': 0.01}),
     ('rates_invalid_1', {'Gd': 0.01, 'Gd157': 0.01, 'Gd156': 0.01}),
     ('rates_invalid_2', {'Gd156': 0.01, 'Gd157': 0.01, 'Gd': 0.01}),
     ('rates_invalid_3', {'Gb156': 0.01}),
@@ -64,7 +75,8 @@ def test_get_set(model, case_name, transfer_rates):
     transfer = TransferRates(op, model)
 
     # Test by Openmc material, material name and material id
-    material, dest_material = [m for m in model.materials if m.depletable]
+    material, dest_material, dest_material2 = [m for m in model.materials
+                                               if m.depletable]
     for material_input in [material, material.name, material.id]:
         for dest_material_input in [dest_material, dest_material.name,
                                     dest_material.id]:
@@ -107,12 +119,25 @@ def test_get_set(model, case_name, transfer_rates):
                                                destination_material=\
                                                dest_material_input)
                     assert transfer.get_transfer_rate(
-                        material_input, component) == transfer_rate
+                        material_input, component)[0] == transfer_rate
                     assert transfer.get_destination_material(
-                        material_input, component) == str(dest_material.id)
+                        material_input, component)[0] == str(dest_material.id)
                 assert transfer.get_components(material_input) == \
                     transfer_rates.keys()
 
+            if case_name == 'multiple_transfer':
+                for dest2_material_input in [dest_material2, dest_material2.name,
+                                    dest_material2.id]:
+                    for component, transfer_rate in transfer_rates.items():
+                        transfer.set_transfer_rate(material_input, [component],
+                                               transfer_rate,
+                                               destination_material=\
+                                               dest2_material_input)
+                        for id, dest_mat in zip([0,1],[dest_material,dest_material2]):
+                            assert transfer.get_transfer_rate(
+                                material_input, component)[id] == transfer_rate
+                            assert transfer.get_destination_material(
+                                material_input, component)[id] == str(dest_mat.id)
 
 @pytest.mark.parametrize("transfer_rate_units, unit_conv", [
     ('1/s', 1),
@@ -138,7 +163,7 @@ def test_units(transfer_rate_units, unit_conv, model):
     for component in components:
         transfer.set_transfer_rate('f', [component], transfer_rate * unit_conv,
                                    transfer_rate_units=transfer_rate_units)
-        assert transfer.get_transfer_rate('f', component) == transfer_rate
+        assert transfer.get_transfer_rate('f', component)[0] == transfer_rate
 
 
 def test_transfer(run_in_tmpdir, model):

From 0cf29f1459562ab1278e115da27c989c0bb9df67 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 13 Sep 2023 12:49:38 -0500
Subject: [PATCH 1939/2654] Add type checks on Intersection, Union, Complement
 (#2685)

---
 openmc/region.py                | 10 ++++++++--
 tests/unit_tests/test_region.py | 18 ++++++++++++++++++
 2 files changed, 26 insertions(+), 2 deletions(-)

diff --git a/openmc/region.py b/openmc/region.py
index a2d3b1d0c..1d54bff8d 100644
--- a/openmc/region.py
+++ b/openmc/region.py
@@ -4,7 +4,6 @@ from copy import deepcopy
 
 import numpy as np
 
-from .checkvalue import check_type
 from .bounding_box import BoundingBox
 
 
@@ -362,6 +361,9 @@ class Intersection(Region, MutableSequence):
 
     def __init__(self, nodes):
         self._nodes = list(nodes)
+        for node in nodes:
+            if not isinstance(node, Region):
+                raise ValueError('Intersection operands must be of type Region')
 
     def __and__(self, other):
         new = Intersection(self)
@@ -450,6 +452,9 @@ class Union(Region, MutableSequence):
 
     def __init__(self, nodes):
         self._nodes = list(nodes)
+        for node in nodes:
+            if not isinstance(node, Region):
+                raise ValueError('Union operands must be of type Region')
 
     def __or__(self, other):
         new = Union(self)
@@ -566,7 +571,8 @@ class Complement(Region):
 
     @node.setter
     def node(self, node):
-        check_type('node', node, Region)
+        if not isinstance(node, Region):
+            raise ValueError('Complement operand must be of type Region')
         self._node = node
 
     @property
diff --git a/tests/unit_tests/test_region.py b/tests/unit_tests/test_region.py
index 086ce6401..2e517c965 100644
--- a/tests/unit_tests/test_region.py
+++ b/tests/unit_tests/test_region.py
@@ -222,3 +222,21 @@ def test_translate_inplace():
     # Translating a region in-place should *not* produce new surfaces
     region3 = region.translate((0.5, -6.7, 3.9), inplace=True)
     assert str(region) == str(region3)
+
+
+def test_invalid_operands():
+    s = openmc.Sphere()
+    z = 3
+
+    # Intersection with invalid operand
+    with pytest.raises(ValueError, match='must be of type Region'):
+        -s & +z
+
+    # Union with invalid operand
+    with pytest.raises(ValueError, match='must be of type Region'):
+        -s | +z
+
+    # Complement with invalid operand
+    with pytest.raises(ValueError, match='must be of type Region'):
+        openmc.Complement(z)
+

From bbd77569309e032b1577067d41e2c38c21b69e6a Mon Sep 17 00:00:00 2001
From: Olek <45364492+yardasol@users.noreply.github.com>
Date: Wed, 13 Sep 2023 20:00:52 -0500
Subject: [PATCH 1940/2654] Allow decay only nuclides to be specified in
 `Material` for a depletion simulation (#2616)

Co-authored-by: Jonathan Shimwell <drshimwell@gmail.com>
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/deplete/coupled_operator.py            |   2 +-
 openmc/deplete/openmc_operator.py             |  30 +++--
 openmc/material.py                            |  40 +++++--
 tests/chain_simple_decay.xml                  |  66 +++++++++++
 .../deplete_decay_only/__init__.py            |   0
 .../deplete_decay_only/test.py                | 103 ++++++++++++++++++
 tests/unit_tests/test_material.py             |  12 ++
 7 files changed, 233 insertions(+), 20 deletions(-)
 create mode 100644 tests/chain_simple_decay.xml
 create mode 100644 tests/regression_tests/deplete_decay_only/__init__.py
 create mode 100644 tests/regression_tests/deplete_decay_only/test.py

diff --git a/openmc/deplete/coupled_operator.py b/openmc/deplete/coupled_operator.py
index ab7314ac7..54f8f9462 100644
--- a/openmc/deplete/coupled_operator.py
+++ b/openmc/deplete/coupled_operator.py
@@ -416,7 +416,7 @@ class CoupledOperator(OpenMCOperator):
         for mat in self.materials:
             mat._nuclides.sort(key=lambda x: nuclides.index(x[0]))
 
-        self.materials.export_to_xml()
+        self.materials.export_to_xml(nuclides_to_ignore=self._decay_nucs)
 
     def __call__(self, vec, source_rate):
         """Runs a simulation.
diff --git a/openmc/deplete/openmc_operator.py b/openmc/deplete/openmc_operator.py
index 319d98701..30203d23f 100644
--- a/openmc/deplete/openmc_operator.py
+++ b/openmc/deplete/openmc_operator.py
@@ -6,6 +6,7 @@ transport-independent transport operators.
 """
 
 from abc import abstractmethod
+from warnings import warn
 from typing import List, Tuple, Dict
 
 import numpy as np
@@ -133,6 +134,18 @@ class OpenMCOperator(TransportOperator):
         # This nuclides variables contains every nuclides
         # for which there is an entry in the micro_xs parameter
         openmc.reset_auto_ids()
+
+        self.nuclides_with_data = self._get_nuclides_with_data(
+            self.cross_sections)
+
+        # Select nuclides with data that are also in the chain
+        self._burnable_nucs = [nuc.name for nuc in self.chain.nuclides
+                               if nuc.name in self.nuclides_with_data]
+
+        # Select nuclides without data that are also in the chain
+        self._decay_nucs = [nuc.name for nuc in self.chain.nuclides
+                            if nuc.name not in self.nuclides_with_data]
+
         self.burnable_mats, volumes, all_nuclides = self._get_burnable_mats()
         self.local_mats = _distribute(self.burnable_mats)
 
@@ -142,13 +155,6 @@ class OpenMCOperator(TransportOperator):
         if self.prev_res is not None:
             self._load_previous_results()
 
-        self.nuclides_with_data = self._get_nuclides_with_data(
-            self.cross_sections)
-
-        # Select nuclides with data that are also in the chain
-        self._burnable_nucs = [nuc.name for nuc in self.chain.nuclides
-                               if nuc.name in self.nuclides_with_data]
-
         # Extract number densities from the geometry / previous depletion run
         self._extract_number(self.local_mats,
                              volumes,
@@ -171,7 +177,7 @@ class OpenMCOperator(TransportOperator):
         Returns
         -------
         burnable_mats : list of str
-            List of burnable material IDs
+            list of burnable material IDs
         volume : dict of str to float
             Volume of each material in [cm^3]
         nuclides : list of str
@@ -188,7 +194,13 @@ class OpenMCOperator(TransportOperator):
         # Iterate once through the geometry to get dictionaries
         for mat in self.materials:
             for nuclide in mat.get_nuclides():
-                model_nuclides.add(nuclide)
+                if nuclide in self.nuclides_with_data or self._decay_nucs:
+                    model_nuclides.add(nuclide)
+                else:
+                    msg = (f"Nuclilde {nuclide} in material {mat.id} is not "
+                           "present in the depletion chain and has no cross "
+                           "section data.")
+                    raise warn(msg)
             if mat.depletable:
                 burnable_mats.add(str(mat.id))
                 if mat.volume is None:
diff --git a/openmc/material.py b/openmc/material.py
index f0e9117e6..4aa5c9f0f 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -1250,7 +1250,7 @@ class Material(IDManagerMixin):
 
         return memo[self]
 
-    def _get_nuclide_xml(self, nuclide: str) -> ET.Element:
+    def _get_nuclide_xml(self, nuclide: NuclideTuple) -> ET.Element:
         xml_element = ET.Element("nuclide")
         xml_element.set("name", nuclide.name)
 
@@ -1267,15 +1267,28 @@ class Material(IDManagerMixin):
 
         return xml_element
 
-    def _get_nuclides_xml(self, nuclides: typing.Iterable[str]) -> List[ET.Element]:
+    def _get_nuclides_xml(
+            self, nuclides: typing.Iterable[NuclideTuple],
+            nuclides_to_ignore: Optional[typing.Iterable[str]] = None)-> List[ET.Element]:
         xml_elements = []
-        for nuclide in nuclides:
-            xml_elements.append(self._get_nuclide_xml(nuclide))
+
+        # Remove any nuclides to ignore from the XML export
+        if nuclides_to_ignore:
+            nuclides = [nuclide for nuclide in nuclides if nuclide.name not in nuclides_to_ignore]
+
+        xml_elements = [self._get_nuclide_xml(nuclide) for nuclide in nuclides]
+
         return xml_elements
 
-    def to_xml_element(self) -> ET.Element:
+    def to_xml_element(
+            self, nuclides_to_ignore: Optional[typing.Iterable[str]] = None) -> ET.Element:
         """Return XML representation of the material
 
+        Parameters
+        ----------
+        nuclides_to_ignore : list of str
+            Nuclides to ignore when exporting to XML.
+
         Returns
         -------
         element : lxml.etree._Element
@@ -1320,7 +1333,8 @@ class Material(IDManagerMixin):
 
         if self._macroscopic is None:
             # Create nuclide XML subelements
-            subelements = self._get_nuclides_xml(self._nuclides)
+            subelements = self._get_nuclides_xml(self._nuclides,
+                                                 nuclides_to_ignore=nuclides_to_ignore)
             for subelement in subelements:
                 element.append(subelement)
         else:
@@ -1576,7 +1590,8 @@ class Materials(cv.CheckedList):
         for material in self:
             material.make_isotropic_in_lab()
 
-    def _write_xml(self, file, header=True, level=0, spaces_per_level=2, trailing_indent=True):
+    def _write_xml(self, file, header=True, level=0, spaces_per_level=2,
+                   trailing_indent=True, nuclides_to_ignore=None):
         """Writes XML content of the materials to an open file handle.
 
         Parameters
@@ -1591,6 +1606,8 @@ class Materials(cv.CheckedList):
             Number of spaces per indentation
         trailing_indentation : bool
             Whether or not to write a trailing indentation for the materials element
+        nuclides_to_ignore : list of str
+            Nuclides to ignore when exporting to XML.
 
         """
         indentation = level*spaces_per_level*' '
@@ -1611,7 +1628,7 @@ class Materials(cv.CheckedList):
 
         # Write the <material> elements.
         for material in sorted(self, key=lambda x: x.id):
-            element = material.to_xml_element()
+            element = material.to_xml_element(nuclides_to_ignore=nuclides_to_ignore)
             clean_indentation(element, level=level+1)
             element.tail = element.tail.strip(' ')
             file.write((level+1)*spaces_per_level*' ')
@@ -1626,13 +1643,16 @@ class Materials(cv.CheckedList):
         if trailing_indent:
             file.write(indentation)
 
-    def export_to_xml(self, path: PathLike = 'materials.xml'):
+    def export_to_xml(self, path: PathLike = 'materials.xml',
+                      nuclides_to_ignore: Optional[typing.Iterable[str]] = None):
         """Export material collection to an XML file.
 
         Parameters
         ----------
         path : str
             Path to file to write. Defaults to 'materials.xml'.
+        nuclides_to_ignore : list of str
+            Nuclides to ignore when exporting to XML.
 
         """
         # Check if path is a directory
@@ -1645,7 +1665,7 @@ class Materials(cv.CheckedList):
         # one go.
         with open(str(p), 'w', encoding='utf-8',
                   errors='xmlcharrefreplace') as fh:
-            self._write_xml(fh)
+            self._write_xml(fh, nuclides_to_ignore=nuclides_to_ignore)
 
     @classmethod
     def from_xml_element(cls, elem) -> Material:
diff --git a/tests/chain_simple_decay.xml b/tests/chain_simple_decay.xml
new file mode 100644
index 000000000..1c8c5e4ee
--- /dev/null
+++ b/tests/chain_simple_decay.xml
@@ -0,0 +1,66 @@
+<?xml version="1.0"?>
+<depletion_chain>
+  <nuclide name="I135" decay_modes="1" reactions="1" half_life="2.36520E+04" decay_energy="1916827.5">
+    <decay type="beta" target="Xe135" branching_ratio="1.0" />
+    <reaction type="(n,gamma)" Q="0.0" target="Xe136" /> <!-- Not precisely true, but whatever -->
+    <source type="discrete" particle="photon">
+      <parameters>3696.125 4095.822 4477.27 5097.122 29452.1 29781.3 33566.5 33629.4 33865.1 33878.5 34395.3 34408.0 34486.2 34488.2 112780.0 113150.0 162650.0 165740.0 184490.0 197190.0 220502.0 229720.0 247500.0 254740.0 264260.0 288451.0 290270.0 304910.0 305830.0 326000.0 333600.0 342520.0 361850.0 403030.0 414830.0 417633.0 429930.0 433741.0 451630.0 530800.0 546557.0 575970.0 588280.0 616900.0 649850.0 656090.0 679220.0 684600.0 690130.0 707920.0 785480.0 795500.0 797710.0 807200.0 836804.0 960290.0 961430.0 971960.0 972620.0 995090.0 1038760.0 1096860.0 1101580.0 1124000.0 1131511.0 1151510.0 1159900.0 1169040.0 1225600.0 1240470.0 1254800.0 1260409.0 1315770.0 1334800.0 1343660.0 1367890.0 1441800.0 1448350.0 1457560.0 1502790.0 1521990.0 1543700.0 1566410.0 1678027.0 1706459.0 1791196.0 1830690.0 1845300.0 1927300.0 1948490.0 2045880.0 2112400.0 2151500.0 2189400.0 2255457.0 2408650.0 2466070.0 2477100.0 9.714352819815078e-10 7.460941651551526e-09 6.047882056201745e-09 8.510389107205747e-10 3.7979729633684727e-08 7.033747061198817e-08 6.602815946851458e-09 1.2800909198245071e-08 6.513060244589454e-11 8.894667887850525e-11 1.3843783302275766e-09 2.700005498135763e-09 1.2141115256573815e-11 1.654893875618862e-11 3.7007705885806645e-09 2.0186021392258173e-09 2.859686363903241e-09 9.16781804898392e-09 6.896890642354875e-09 9.588360161322631e-09 5.130613770532286e-07 7.06510748729036e-08 8.410842246774237e-09 6.7286737974193905e-09 5.3829390379355124e-08 9.083709626516178e-07 8.915492781580693e-08 9.251926471451662e-09 2.783988783682273e-08 6.728673797419391e-10 1.093409492080651e-08 2.5232526740322717e-10 5.467047460403255e-08 6.812782219887132e-08 8.83138435911295e-08 1.0345335963532313e-06 8.915492781580693e-08 1.623292553627428e-07 9.251926471451663e-08 9.251926471451662e-09 2.0942997194467853e-06 3.784879011048407e-08 1.513951604419363e-08 1.093409492080651e-08 1.337323917237104e-07 2.186818984161302e-08 1.5980600268871052e-08 6.7286737974193905e-09 3.784879011048407e-08 1.9344937167580748e-07 4.457746390790346e-08 6.7286737974193905e-09 5.0465053480645434e-08 1.3457347594838781e-08 1.9597262434983976e-06 1.0093010696129087e-08 4.289529545854862e-08 2.607361096500014e-07 3.53255374364518e-07 4.541854813258089e-08 2.329803302356464e-06 2.607361096500014e-08 4.7100716581935733e-07 1.059766123093554e-06 6.6193328482113254e-06 4.205421123387119e-10 3.027903208838726e-08 2.565306885266143e-07 1.2616263370161358e-08 2.649415307733885e-07 3.3643368987096953e-09 8.410842246774237e-06 1.934493716758075e-08 9.251926471451662e-09 2.2709274066290446e-08 1.7830985563161385e-07 5.046505348064544e-09 9.251926471451663e-08 2.5400743585258203e-06 3.154065842540339e-07 1.093409492080651e-08 7.569758022096815e-09 3.784879011048407e-07 2.8008104681758214e-06 1.2027504412887161e-06 2.26251656438227e-06 1.6989901338483962e-07 1.6821684493548476e-09 8.663167514177466e-08 1.8503852942903323e-08 2.5568960430193683e-07 2.0186021392258175e-08 6.560456952483906e-09 3.784879011048407e-09 1.7999202408096872e-07 2.800810468175822e-07 2.1027105616935597e-08 4.205421123387119e-10</parameters>
+    </source>
+  </nuclide>
+  <nuclide name="Xe135" reactions="1" decay_energy="567890.1">
+    <reaction type="(n,gamma)" Q="0.0" target="Xe136" />
+    <source type="tabular" interpolation="histogram" particle="photon">
+      <parameters>0.0 10000.0 20000.0 50000.0 100000.0 200000.0 300000.0 400000.0 600000.0 800000.0 1000000.0 1220000.0 1.1612176249914943e-11 0.0 3.1976524142990123e-11 0.0 6.418466676129901e-13 1.894551923065874e-10 5.099949011192198e-13 3.170644340540729e-13 2.756798470867507e-12 6.67627508515641e-14 3.711746246444946e-15 0.0</parameters>
+    </source>
+  </nuclide>
+  <nuclide name="Xe135_m1" half_life="917.4" decay_modes="1" decay_energy="526729.1900000001" reactions="0">
+    <decay type="IT" target="Xe135" branching_ratio="1"/>
+  </nuclide>
+  <nuclide name="Xe136" decay_modes="0" reactions="0" />
+  <nuclide name="Cs135" decay_modes="0" reactions="0" />
+  <nuclide name="Cs135_m1" half_life="3180.0" decay_modes="1" decay_energy="1633299.89" reactions="0">
+    <decay type="IT" target="Cs135" branching_ratio="1.0"/>
+  </nuclide>
+  <nuclide name="Gd157" decay_modes="0" reactions="1"  >
+    <reaction type="(n,gamma)" Q="0.0" target="Nothing" />
+  </nuclide>
+  <nuclide name="Gd156" decay_modes="0" reactions="1">
+    <reaction type="(n,gamma)" Q="0.0" target="Gd157" />
+  </nuclide>
+  <nuclide name="U234" decay_modes="0" reactions="1">
+    <reaction type="fission" Q="191840000."/>
+    <neutron_fission_yields>
+      <energies>2.53000e-02</energies>
+      <fission_yields energy="2.53000e-02">
+        <products>Gd157 Gd156 I135 Xe135 Xe136 Cs135</products>
+        <data>1.093250e-04 2.087260e-04 2.780820e-02 6.759540e-03 2.392300e-02 4.356330e-05</data>
+      </fission_yields>
+    </neutron_fission_yields>
+  </nuclide>
+  <nuclide name="U235" decay_modes="0" reactions="1">
+    <reaction type="fission" Q="193410000."/>
+    <source type="discrete" particle="photon">
+      <parameters>3065.349 12960.11 13197.49 16125.43 19185.05 19590.0 31600.0 34700.0 41400.0 41960.0 51220.0 54100.0 54250.0 64350.0 72700.0 75020.0 76198.0 90330.0 93795.0 96090.0 105278.0 106074.0 106608.0 106771.0 108948.0 109154.0 109160.0 109395.0 109433.0 115450.0 120350.0 136550.0 140760.0 142400.0 143760.0 150930.0 163330.0 173300.0 182610.0 185715.0 194940.0 198900.0 202110.0 205311.0 215280.0 221380.0 228780.0 233500.0 240870.0 246840.0 266450.0 275129.0 275430.0 281420.0 282920.0 289560.0 291650.0 301700.0 317100.0 343500.0 345900.0 356030.0 387820.0 410290.0 428710.0 448400.0 1.4211820389290126e-18 3.695705148646686e-18 4.752472005970374e-19 4.0825252294602915e-18 8.998127221991115e-19 1.9035285506819052e-21 5.305446177665699e-21 1.1547147563154756e-20 9.362552078233586e-21 1.86835843588509e-20 1.0610892355331398e-20 2.736290732002608e-22 4.776811520523089e-21 3.977552295559136e-21 3.432935762018982e-20 1.872510415646717e-20 2.4966805541956234e-21 1.0265454754703584e-18 1.7575878976520235e-18 2.839974130397521e-20 2.1057468800839102e-19 4.1342252420362975e-19 7.098565272539688e-21 8.20050332279016e-21 5.276915360632628e-20 1.0602918581811435e-19 4.806110066826575e-19 2.0521431485853304e-21 2.375669880669523e-21 9.362552078233586e-21 8.267152210184412e-21 3.745020831293435e-21 6.865871524037964e-20 1.5604253463722645e-21 3.420452359248004e-18 2.4966805541956232e-20 1.5853921519142206e-18 1.8725104156467174e-21 1.0610892355331397e-19 1.7851265962498703e-17 1.966135936429053e-19 1.3107572909527022e-20 3.370518748164091e-19 1.5635461970650089e-18 9.050467008959134e-21 3.745020831293434e-20 2.18459548492117e-21 9.050467008959134e-21 2.3406380195583967e-20 1.6540508671546e-20 1.8725104156467174e-21 1.622842360227155e-20 2.18459548492117e-21 1.8725104156467174e-21 1.8725104156467174e-21 2.18459548492117e-21 1.2483402770978116e-20 1.5604253463722645e-21 3.120850692744529e-22 9.362552078233587e-22 1.2483402770978116e-20 1.5604253463722645e-21 1.2483402770978116e-20 9.362552078233587e-22 3.120850692744529e-22 3.120850692744529e-22</parameters>
+    </source>
+    <neutron_fission_yields>
+      <energies>2.53000e-02</energies>
+      <fission_yields energy="2.53000e-02">
+        <products>Gd157 Gd156 I135 Xe135 Xe136 Cs135</products>
+        <data>6.142710e-5 1.483250e-04 0.0292737 0.002566345 0.0219242 4.9097e-6</data>
+      </fission_yields>
+    </neutron_fission_yields>
+  </nuclide>
+  <nuclide name="U238" decay_modes="0" reactions="1">
+    <reaction type="fission" Q="197790000."/>
+    <source type="discrete" particle="photon">
+      <parameters>3061.32 12959.8 13440.07 16150.05 19148.83 49550.0 90330.0 93795.0 105278.0 106074.0 106608.0 106771.0 108948.0 109154.0 109395.0 109433.0 113500.0 5.3130501476983077e-20 1.4936931167066328e-19 1.943509007980312e-20 1.8224649880365157e-19 4.0452400597373603e-20 3.146222282132249e-21 3.300026341588747e-23 5.444173877278485e-23 6.3486292118621375e-24 1.2400176384733938e-23 2.124537722121886e-25 2.4542156071495764e-25 1.5792541400719878e-24 3.1731991718126067e-24 6.141568457919309e-26 7.109808533300877e-26 5.014291762148272e-22</parameters>
+    </source>
+    <neutron_fission_yields>
+      <energies>2.53000e-02</energies>
+      <fission_yields energy="2.53000e-02">
+        <products>Gd157 Gd156 I135 Xe135 Xe136 Cs135</products>
+        <data>4.141120e-04 7.605360e-04 0.0135457 0.00026864 0.0024432 3.7100E-07</data>
+      </fission_yields>
+    </neutron_fission_yields>
+  </nuclide>
+</depletion_chain>
diff --git a/tests/regression_tests/deplete_decay_only/__init__.py b/tests/regression_tests/deplete_decay_only/__init__.py
new file mode 100644
index 000000000..e69de29bb
diff --git a/tests/regression_tests/deplete_decay_only/test.py b/tests/regression_tests/deplete_decay_only/test.py
new file mode 100644
index 000000000..cb716a5ad
--- /dev/null
+++ b/tests/regression_tests/deplete_decay_only/test.py
@@ -0,0 +1,103 @@
+""" Transport-free depletion test suite """
+
+from pathlib import Path
+import shutil
+
+import numpy as np
+import pytest
+import openmc
+import openmc.deplete
+from openmc.deplete import CoupledOperator, IndependentOperator, MicroXS
+
+
+@pytest.fixture(scope="module")
+def model():
+    fuel = openmc.Material(name="uo2")
+    fuel.add_element("U", 1, percent_type="ao", enrichment=4.25)
+    fuel.add_element("O", 2)
+    fuel.add_nuclide("Xe135_m1", 1)
+    fuel.add_nuclide("Cs135_m1", 1)
+    fuel.set_density("g/cc", 10.4)
+
+    clad = openmc.Material(name="clad")
+    clad.add_element("Zr", 1)
+    clad.set_density("g/cc", 6)
+
+    water = openmc.Material(name="water")
+    water.add_element("O", 1)
+    water.add_element("H", 2)
+    water.set_density("g/cc", 1.0)
+    water.add_s_alpha_beta("c_H_in_H2O")
+
+    radii = [0.42, 0.45]
+    fuel.volume = np.pi * radii[0] ** 2
+
+    materials = openmc.Materials([fuel, clad, water])
+
+    pin_surfaces = [openmc.ZCylinder(r=r) for r in radii]
+    pin_univ = openmc.model.pin(pin_surfaces, materials)
+    bound_box = openmc.rectangular_prism(1.24, 1.24, boundary_type="reflective")
+    root_cell = openmc.Cell(fill=pin_univ, region=bound_box)
+    geometry = openmc.Geometry([root_cell])
+
+    settings = openmc.Settings()
+    settings.particles = 1000
+    settings.inactive = 5
+    settings.batches = 10
+
+    return openmc.Model(geometry, materials, settings)
+
+@pytest.fixture(scope="module")
+def micro_xs():
+    micro_xs_file = Path(__file__).parents[2] / 'micro_xs_simple.csv'
+    return MicroXS.from_csv(micro_xs_file)
+
+
+@pytest.fixture(scope="module")
+def chain_file():
+    return Path(__file__).parents[2] / 'chain_simple_decay.xml'
+
+
+@pytest.mark.parametrize("operator_type", ["coupled", "independent"])
+def test_decay_only(run_in_tmpdir, operator_type, model, micro_xs, chain_file):
+    """Transport free system test suite.
+
+    """
+    # Create operator
+    if operator_type == "coupled":
+        op = CoupledOperator(model, chain_file=chain_file)
+    else:
+        op = IndependentOperator(openmc.Materials([model.materials[0]]),
+                                 [1e15],
+                                 [micro_xs],
+                                 chain_file)
+
+    # Power and timesteps
+    dt = [917.4, 2262.6]  # one Xe135_m1 half life and one Cs135_m1 half life
+
+    # Perform simulation using the predictor algorithm
+    openmc.deplete.PredictorIntegrator(op,
+                                       dt,
+                                       power=0.0,
+                                       timestep_units='s').integrate()
+
+    # Get path to test and reference results
+    path_test = op.output_dir / 'depletion_results.h5'
+
+    # Load the reference/test results
+    res_test = openmc.deplete.Results(path_test)
+
+    _, xe135m1_atoms = res_test.get_atoms('1', 'Xe135_m1')
+    _, xe135_atoms = res_test.get_atoms('1', 'Xe135')
+    _, cs135m1_atoms = res_test.get_atoms('1', 'Cs135_m1')
+    _, cs135_atoms = res_test.get_atoms('1', 'Cs135')
+
+    tol = 1.0e-14
+    assert xe135m1_atoms[0] == pytest.approx(xe135m1_atoms[1] * 2, rel=tol)
+
+    # WARNING: this is generally not true as Xe135_m1 has two
+    # decay modes, and Xe135 will also decay, but we've modified the depletion chain so
+    # that Xe135_m1 only decays to Xe135, and that Xe135 has has no decay modes
+    assert xe135_atoms[1] == pytest.approx(xe135m1_atoms[1], rel=tol)
+    assert cs135m1_atoms[0] == pytest.approx(cs135m1_atoms[2] * 2, rel=tol)
+    assert cs135_atoms[2] == pytest.approx(cs135m1_atoms[2], rel=tol)
diff --git a/tests/unit_tests/test_material.py b/tests/unit_tests/test_material.py
index 3b93b6879..bf6b19ee5 100644
--- a/tests/unit_tests/test_material.py
+++ b/tests/unit_tests/test_material.py
@@ -74,6 +74,18 @@ def test_add_components():
     with pytest.raises(ValueError):
         m.add_components({'H1': 1.0}, percent_type = 'oa')
 
+def test_nuclides_to_ignore(run_in_tmpdir):
+    """Test nuclides_to_ignore when exporting a material to XML"""
+    m = openmc.Material()
+    m.add_nuclide('U235', 1.0)
+    m.add_nuclide('H1', 1.0)
+    m.add_nuclide('O16', 1.0)
+
+    mats = openmc.Materials([m])
+    mats.export_to_xml(nuclides_to_ignore=['H1'])
+
+    test_mats = openmc.Materials.from_xml()
+    assert 'H1' not in test_mats[0].get_nuclides()
 
 def test_remove_nuclide():
     """Test removing nuclides."""

From c8c5afaad9766d71f081674cfaf41c56764d482a Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Thu, 14 Sep 2023 03:27:48 +0100
Subject: [PATCH 1941/2654] Allowing WeightWindowGenerator to be fully made via
 constructor (#2686)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/weight_windows.py | 45 ++++++++++++++++++++++++++--------------
 1 file changed, 30 insertions(+), 15 deletions(-)

diff --git a/openmc/weight_windows.py b/openmc/weight_windows.py
index 6ea71fa1c..9f0f2e123 100644
--- a/openmc/weight_windows.py
+++ b/openmc/weight_windows.py
@@ -1,8 +1,7 @@
 from __future__ import annotations
 from collections.abc import Iterable
 from numbers import Real, Integral
-import pathlib
-from typing import Iterable, List, Optional, Union, Dict
+from typing import Iterable, List, Optional, Dict, Sequence
 import warnings
 
 import lxml.etree as ET
@@ -664,6 +663,16 @@ class WeightWindowGenerator:
         maximum and minimum energy for the data available at runtime.
     particle_type : {'neutron', 'photon'}
         Particle type the weight windows apply to
+    method : {'magic'}
+        The weight window generation methodology applied during an update. Only
+        'magic' is currently supported.
+    max_realizations : int
+        The upper limit for number of tally realizations when generating weight
+        windows.
+    update_interval : int
+        The number of tally realizations between updates.
+    on_the_fly : bool
+        Whether or not to apply weight windows on the fly.
 
     Attributes
     ----------
@@ -681,30 +690,36 @@ class WeightWindowGenerator:
         The upper limit for number of tally realizations when generating weight
         windows.
     update_interval : int
-        The number of tally realizations between updates. (default: 1)
+        The number of tally realizations between updates.
     update_parameters : dict
         A set of parameters related to the update.
     on_the_fly : bool
-        Whether or not to apply weight windows on the fly. (default: True)
+        Whether or not to apply weight windows on the fly.
     """
 
     _MAGIC_PARAMS = {'value': str, 'threshold': float, 'ratio': float}
 
-    def __init__(self, mesh, energy_bounds=None, particle_type='neutron'):
+    def __init__(
+        self,
+        mesh: openmc.MeshBase,
+        energy_bounds: Optional[Sequence[float]] = None,
+        particle_type: str = 'neutron',
+        method: str = 'magic',
+        max_realizations: int = 1,
+        update_interval: int = 1,
+        on_the_fly: bool = True
+    ):
+        self._update_parameters = None
+
         self.mesh = mesh
         self._energy_bounds = None
         if energy_bounds is not None:
             self.energy_bounds = energy_bounds
         self.particle_type = particle_type
-        self.max_realizations = 1
-
-        self._update_parameters = None
-
-        self.method = 'magic'
-        self.particle_type = particle_type
-        self.update_interval = 1
-        self.on_the_fly = True
-
+        self.method = method
+        self.max_realizations = max_realizations
+        self.update_interval = update_interval
+        self.on_the_fly = on_the_fly
 
     def __repr__(self):
         string = type(self).__name__ + '\n'
@@ -927,4 +942,4 @@ def hdf5_to_wws(path='weight_windows.h5'):
         for mesh_group in h5_file['meshes']:
             mesh = MeshBase.from_hdf5(h5_file['meshes'][mesh_group])
             meshes[mesh.id] = mesh
-        return [WeightWindows.from_hdf5(ww, meshes) for ww in h5_file['weight_windows'].values()]
\ No newline at end of file
+        return [WeightWindows.from_hdf5(ww, meshes) for ww in h5_file['weight_windows'].values()]

From ccb76b3dbf7afcc3f3c808a9511a03705a0553c4 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Wed, 13 Sep 2023 21:28:11 -0500
Subject: [PATCH 1942/2654] Refactor of translation from mesh handle to index
 for DAGMC geometry. (#2687)

---
 include/openmc/dagmc.h | 19 +++++++++++++++++--
 src/dagmc.cpp          | 32 +++++++++++++++++++++++++++-----
 2 files changed, 44 insertions(+), 7 deletions(-)

diff --git a/include/openmc/dagmc.h b/include/openmc/dagmc.h
index 5451474d0..5ed426e5a 100644
--- a/include/openmc/dagmc.h
+++ b/include/openmc/dagmc.h
@@ -37,6 +37,8 @@ class DAGSurface : public Surface {
 public:
   DAGSurface(std::shared_ptr<moab::DagMC> dag_ptr, int32_t dag_idx);
 
+  moab::EntityHandle mesh_handle() const;
+
   double evaluate(Position r) const override;
   double distance(Position r, Direction u, bool coincident) const override;
   Direction normal(Position r) const override;
@@ -45,7 +47,7 @@ public:
   inline void to_hdf5_inner(hid_t group_id) const override {};
 
   // Accessor methods
-  const std::shared_ptr<moab::DagMC>& dagmc_ptr() const { return dagmc_ptr_; }
+  moab::DagMC* dagmc_ptr() const { return dagmc_ptr_.get(); }
   int32_t dag_index() const { return dag_index_; }
 
 private:
@@ -57,6 +59,8 @@ class DAGCell : public Cell {
 public:
   DAGCell(std::shared_ptr<moab::DagMC> dag_ptr, int32_t dag_idx);
 
+  moab::EntityHandle mesh_handle() const;
+
   bool contains(Position r, Direction u, int32_t on_surface) const override;
 
   std::pair<double, int32_t> distance(
@@ -67,7 +71,7 @@ public:
   void to_hdf5_inner(hid_t group_id) const override;
 
   // Accessor methods
-  const std::shared_ptr<moab::DagMC>& dagmc_ptr() const { return dagmc_ptr_; }
+  moab::DagMC* dagmc_ptr() const { return dagmc_ptr_.get(); }
   int32_t dag_index() const { return dag_index_; }
 
 private:
@@ -122,6 +126,16 @@ public:
   void legacy_assign_material(
     std::string mat_string, std::unique_ptr<DAGCell>& c) const;
 
+  //! Return the index into the model cells vector for a given DAGMC volume
+  //! handle in the universe
+  //! \param[in] vol MOAB handle to the DAGMC volume set
+  int32_t cell_index(moab::EntityHandle vol) const;
+
+  //! Return the index into the model surfaces vector for a given DAGMC surface
+  //! handle in the universe
+  //! \param[in] surf MOAB handle to the DAGMC surface set
+  int32_t surface_index(moab::EntityHandle surf) const;
+
   //! Generate a string representing the ranges of IDs present in the DAGMC
   //! model. Contiguous chunks of IDs are represented as a range (i.e. 1-10). If
   //! there is a single ID a chunk, it will be represented as a single number
@@ -142,6 +156,7 @@ public:
                             //!< universe in OpenMC's surface vector
 
   // Accessors
+  moab::DagMC* dagmc_ptr() const { return dagmc_instance_.get(); }
   bool has_graveyard() const { return has_graveyard_; }
 
 private:
diff --git a/src/dagmc.cpp b/src/dagmc.cpp
index 35522d3ca..e245d4475 100644
--- a/src/dagmc.cpp
+++ b/src/dagmc.cpp
@@ -329,6 +329,20 @@ void DAGUniverse::init_geometry()
   } // end surface loop
 }
 
+int32_t DAGUniverse::cell_index(moab::EntityHandle vol) const
+{
+  // return the index of the volume in the DAGMC instance and then
+  // adjust by the offset into the model cells for this DAGMC universe
+  return dagmc_ptr()->index_by_handle(vol) + cell_idx_offset_;
+}
+
+int32_t DAGUniverse::surface_index(moab::EntityHandle surf) const
+{
+  // return the index of the surface in the DAGMC instance and then
+  // adjust by the offset into the model cells for this DAGMC universe
+  return dagmc_ptr()->index_by_handle(surf) + surf_idx_offset_;
+}
+
 std::string DAGUniverse::dagmc_ids_for_dim(int dim) const
 {
   // generate a vector of ids
@@ -643,6 +657,11 @@ bool DAGCell::contains(Position r, Direction u, int32_t on_surface) const
   return result;
 }
 
+moab::EntityHandle DAGCell::mesh_handle() const
+{
+  return dagmc_ptr()->entity_by_index(3, dag_index());
+}
+
 void DAGCell::to_hdf5_inner(hid_t group_id) const
 {
   write_string(group_id, "geom_type", "dagmc", false);
@@ -668,6 +687,11 @@ DAGSurface::DAGSurface(std::shared_ptr<moab::DagMC> dag_ptr, int32_t dag_idx)
   geom_type_ = GeometryType::DAG;
 } // empty constructor
 
+moab::EntityHandle DAGSurface::mesh_handle() const
+{
+  return dagmc_ptr()->entity_by_index(2, dag_index());
+}
+
 double DAGSurface::evaluate(Position r) const
 {
   return 0.0;
@@ -747,10 +771,8 @@ int32_t next_cell(int32_t surf, int32_t curr_cell, int32_t univ)
   auto cellp = dynamic_cast<DAGCell*>(model::cells[curr_cell].get());
   auto univp = static_cast<DAGUniverse*>(model::universes[univ].get());
 
-  moab::EntityHandle surf_handle =
-    surfp->dagmc_ptr()->entity_by_index(2, surfp->dag_index());
-  moab::EntityHandle curr_vol =
-    cellp->dagmc_ptr()->entity_by_index(3, cellp->dag_index());
+  moab::EntityHandle surf_handle = surfp->mesh_handle();
+  moab::EntityHandle curr_vol = cellp->mesh_handle();
 
   moab::EntityHandle new_vol;
   moab::ErrorCode rval =
@@ -758,7 +780,7 @@ int32_t next_cell(int32_t surf, int32_t curr_cell, int32_t univ)
   if (rval != moab::MB_SUCCESS)
     return -1;
 
-  return cellp->dagmc_ptr()->index_by_handle(new_vol) + univp->cell_idx_offset_;
+  return univp->cell_index(new_vol);
 }
 
 } // namespace openmc

From 7b0eb9d4026bcd461b9abf6ed721ee6ad0d63873 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 14 Sep 2023 00:04:25 -0500
Subject: [PATCH 1943/2654] Avoid warning due to bounding box calculation in
 Universe.plot (#2681)

---
 openmc/universe.py | 13 +++++++------
 1 file changed, 7 insertions(+), 6 deletions(-)

diff --git a/openmc/universe.py b/openmc/universe.py
index 299709acc..7c09774b6 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -7,7 +7,7 @@ from numbers import Integral, Real
 from pathlib import Path
 from tempfile import TemporaryDirectory
 import lxml.etree as ET
-from warnings import warn
+import warnings
 
 import h5py
 import numpy as np
@@ -310,10 +310,9 @@ class Universe(UniverseBase):
         Parameters
         ----------
         origin : iterable of float
-            Coordinates at the origin of the plot, if left as None then the
-            universe.bounding_box.center will be used to attempt to
-            ascertain the origin. Defaults to (0, 0, 0) if the bounding_box
-            contains inf values
+            Coordinates at the origin of the plot. If left as None,
+            universe.bounding_box.center will be used to attempt to ascertain
+            the origin with infinite values being replaced by 0.
         width : iterable of float
             Width of the plot in each basis direction. If left as none then the
             universe.bounding_box.width() will be used to attempt to
@@ -399,7 +398,9 @@ class Universe(UniverseBase):
             if origin is None:
                 # if nan values in the bb.center they get replaced with 0.0
                 # this happens when the bounding_box contains inf values
-                origin = np.nan_to_num(bb.center)
+                with warnings.catch_warnings():
+                    warnings.simplefilter("ignore", RuntimeWarning)
+                    origin = np.nan_to_num(bb.center)
             if width is None:
                 bb_width = bb.width
                 x_width = bb_width['xyz'.index(basis[0])]

From 98fe64dd5ac75c423ff37772479d192ee653ac45 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 15 Sep 2023 12:19:11 -0500
Subject: [PATCH 1944/2654] Make sure FluxCollapseHelper loads missing nuclide
 data (#2694)

---
 openmc/deplete/helpers.py                   |  5 ++++
 tests/unit_tests/test_deplete_activation.py | 29 ++++++++++++++++++++-
 2 files changed, 33 insertions(+), 1 deletion(-)

diff --git a/openmc/deplete/helpers.py b/openmc/deplete/helpers.py
index 1c9d96f67..3da8c5c9e 100644
--- a/openmc/deplete/helpers.py
+++ b/openmc/deplete/helpers.py
@@ -268,6 +268,11 @@ class FluxCollapseHelper(ReactionRateHelper):
         if self._reactions_direct and self._nuclides_direct is None:
             self._rate_tally.nuclides = nuclides
 
+        # Make sure nuclide data is loaded
+        for nuclide in self.nuclides:
+            if nuclide not in openmc.lib.nuclides:
+                openmc.lib.load_nuclide(nuclide)
+
     def generate_tallies(self, materials, scores):
         """Produce multigroup flux spectrum tally
 
diff --git a/tests/unit_tests/test_deplete_activation.py b/tests/unit_tests/test_deplete_activation.py
index 357e303cd..6afea8c9f 100644
--- a/tests/unit_tests/test_deplete_activation.py
+++ b/tests/unit_tests/test_deplete_activation.py
@@ -11,7 +11,7 @@ import pytest
 @pytest.fixture
 def model():
     """Sphere of single nuclide"""
-    model = openmc.model.Model()
+    model = openmc.Model()
 
     w = openmc.Material(name='tungsten')
     w.add_nuclide('W186', 1.0)
@@ -161,3 +161,30 @@ def test_decay(run_in_tmpdir):
     # Ensure density goes down by a factor of 2 after each half-life
     assert atoms[1] / atoms[0] == pytest.approx(0.5)
     assert atoms[2] / atoms[1] == pytest.approx(0.25)
+
+
+def test_flux_rr_missing_nuclide(run_in_tmpdir, model):
+    # Create two-nuclide depletion chain -- since W184 is not in the model, this
+    # test ensures that FluxCollapseHelper loads missing nuclides appropriately
+    chain = openmc.deplete.Chain()
+    w184 = openmc.deplete.Nuclide('W184')
+    w184.add_reaction('(n,gamma)', None, 0.0, 1.0)
+    chain.add_nuclide(w184)
+    w186 = openmc.deplete.Nuclide('W186')
+    w186.add_reaction('(n,gamma)', None, 0.0, 1.0)
+    chain.add_nuclide(w186)
+    chain.export_to_xml('test_chain.xml')
+
+    # Create transport operator
+    op = openmc.deplete.CoupledOperator(
+        model, 'test_chain.xml',
+        normalization_mode="source-rate",
+        reaction_rate_mode="flux",
+        reaction_rate_opts={'energies': [0.0, 20.0e6]},
+    )
+
+    # Deplete with two decay steps
+    integrator = openmc.deplete.PredictorIntegrator(
+        op, [100.0], source_rates=[10.0]
+    )
+    integrator.integrate()

From d4c40aa355de33f4f5bc14eb61ceb213b4d7d44f Mon Sep 17 00:00:00 2001
From: Gavin Ridley <gavin.keith.ridley@gmail.com>
Date: Fri, 15 Sep 2023 17:46:54 -0400
Subject: [PATCH 1945/2654] remove meaningless const qualifiers from plot.h
 (#2695)

---
 include/openmc/plot.h | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/include/openmc/plot.h b/include/openmc/plot.h
index deb02180b..3e97e2544 100644
--- a/include/openmc/plot.h
+++ b/include/openmc/plot.h
@@ -99,8 +99,8 @@ public:
   virtual void print_info() const = 0;
 
   const std::string& path_plot() const { return path_plot_; }
-  const int id() const { return id_; }
-  const int level() const { return level_; }
+  int id() const { return id_; }
+  int level() const { return level_; }
 
   // Public color-related data
   PlottableInterface(pugi::xml_node plot_node);

From 7fdda4aa06930e212d27c24d76100e07a00e734b Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 22 Sep 2023 08:35:30 -0500
Subject: [PATCH 1946/2654] Allow mesh domain in `get_microxs_and_flux` (#2700)

---
 openmc/deplete/microxs.py                     |  6 +++--
 tests/regression_tests/microxs/test.py        | 16 +++++++++---
 ...rence.csv => test_reference_materials.csv} |  0
 .../microxs/test_reference_mesh.csv           | 25 +++++++++++++++++++
 4 files changed, 41 insertions(+), 6 deletions(-)
 rename tests/regression_tests/microxs/{test_reference.csv => test_reference_materials.csv} (100%)
 create mode 100644 tests/regression_tests/microxs/test_reference_mesh.csv

diff --git a/openmc/deplete/microxs.py b/openmc/deplete/microxs.py
index 59285e213..18f4317f0 100644
--- a/openmc/deplete/microxs.py
+++ b/openmc/deplete/microxs.py
@@ -39,7 +39,7 @@ def get_microxs_and_flux(
     ----------
     model : openmc.Model
         OpenMC model object. Must contain geometry, materials, and settings.
-    domains : list of openmc.Material or openmc.Cell or openmc.Universe
+    domains : list of openmc.Material or openmc.Cell or openmc.Universe, or openmc.MeshBase
         Domains in which to tally reaction rates.
     nuclides : list of str
         Nuclides to get cross sections for. If not specified, all burnable
@@ -92,7 +92,9 @@ def get_microxs_and_flux(
         energy_filter = openmc.EnergyFilter.from_group_structure(energies)
     else:
         energy_filter = openmc.EnergyFilter(energies)
-    if isinstance(domains[0], openmc.Material):
+    if isinstance(domains, openmc.MeshBase):
+        domain_filter = openmc.MeshFilter(domains)
+    elif isinstance(domains[0], openmc.Material):
         domain_filter = openmc.MaterialFilter(domains)
     elif isinstance(domains[0], openmc.Cell):
         domain_filter = openmc.CellFilter(domains)
diff --git a/tests/regression_tests/microxs/test.py b/tests/regression_tests/microxs/test.py
index f4b3649fd..dbdb1c8fe 100644
--- a/tests/regression_tests/microxs/test.py
+++ b/tests/regression_tests/microxs/test.py
@@ -46,14 +46,22 @@ def model():
     return openmc.Model(geometry, materials, settings)
 
 
-def test_from_model(model):
-    domains = model.materials[:1]
+@pytest.mark.parametrize("domain_type", ["materials", "mesh"])
+def test_from_model(model, domain_type):
+    if domain_type == 'materials':
+        domains = model.materials[:1]
+    elif domain_type == 'mesh':
+        mesh = openmc.RegularMesh()
+        mesh.lower_left = (-0.62, -0.62)
+        mesh.upper_right = (0.62, 0.62)
+        mesh.dimension = (3, 3)
+        domains = mesh
     nuclides = ['U234', 'U235', 'U238', 'U236', 'O16', 'O17', 'I135', 'Xe135',
                 'Xe136', 'Cs135', 'Gd157', 'Gd156']
     _, test_xs = get_microxs_and_flux(model, domains, nuclides, chain_file=CHAIN_FILE)
     if config['update']:
-        test_xs[0].to_csv('test_reference.csv')
+        test_xs[0].to_csv(f'test_reference_{domain_type}.csv')
 
-    ref_xs = MicroXS.from_csv('test_reference.csv')
+    ref_xs = MicroXS.from_csv(f'test_reference_{domain_type}.csv')
 
     np.testing.assert_allclose(test_xs[0].data, ref_xs.data, rtol=1e-11)
diff --git a/tests/regression_tests/microxs/test_reference.csv b/tests/regression_tests/microxs/test_reference_materials.csv
similarity index 100%
rename from tests/regression_tests/microxs/test_reference.csv
rename to tests/regression_tests/microxs/test_reference_materials.csv
diff --git a/tests/regression_tests/microxs/test_reference_mesh.csv b/tests/regression_tests/microxs/test_reference_mesh.csv
new file mode 100644
index 000000000..1882372b1
--- /dev/null
+++ b/tests/regression_tests/microxs/test_reference_mesh.csv
@@ -0,0 +1,25 @@
+nuclides,reactions,groups,xs
+U234,"(n,gamma)",1,27.027171724208227
+U234,fission,1,0.04333740860093498
+U235,"(n,gamma)",1,12.683875995776193
+U235,fission,1,4.2596665957162605
+U238,"(n,gamma)",1,4.479719141496804
+U238,fission,1,0.009460665924409056
+U236,"(n,gamma)",1,8.469286849810802
+U236,fission,1,0.027373590840715795
+O16,"(n,gamma)",1,7.478160204479271e-05
+O16,fission,1,0.0
+O17,"(n,gamma)",1,0.0004743959164164789
+O17,fission,1,0.0
+I135,"(n,gamma)",1,8.33959524761822
+I135,fission,1,0.0
+Xe135,"(n,gamma)",1,282068.447252079
+Xe135,fission,1,0.0
+Xe136,"(n,gamma)",1,0.02888928065916194
+Xe136,fission,1,0.0
+Cs135,"(n,gamma)",1,2.5863526577468408
+Cs135,fission,1,0.0
+Gd157,"(n,gamma)",1,16518.24083307153
+Gd157,fission,1,0.0
+Gd156,"(n,gamma)",1,2.838514589417232
+Gd156,fission,1,0.0

From f4183b0fe304aea2ba13655217d6efd5bcef2d73 Mon Sep 17 00:00:00 2001
From: Ethan Peterson <ethan.peterson@mit.edu>
Date: Sun, 24 Sep 2023 14:49:47 -0400
Subject: [PATCH 1947/2654] fixed typo in CF4Integrator docstring (#2704)

---
 openmc/deplete/integrators.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/deplete/integrators.py b/openmc/deplete/integrators.py
index e73088621..d17105fc7 100644
--- a/openmc/deplete/integrators.py
+++ b/openmc/deplete/integrators.py
@@ -137,7 +137,7 @@ class CF4Integrator(Integrator):
         \mathbf{n}_{i+1} &= \exp \left ( \frac{\mathbf{A}_1}{4} + \frac{\mathbf{A}_2}{6}
             + \frac{\mathbf{A}_3}{6} - \frac{\mathbf{A}_4}{12} \right )
         \exp \left ( -\frac{\mathbf{A}_1}{12} + \frac{\mathbf{A}_2}{6} +
-            \frac{\mathbf{A}_3}{6} - \frac{\mathbf{A}_4}{4} \right ) \mathbf{n}_i.
+            \frac{\mathbf{A}_3}{6} + \frac{\mathbf{A}_4}{4} \right ) \mathbf{n}_i.
         \end{aligned}
     """
     _num_stages = 4

From 0f429e7ea739edf26e8798c2cd670d632dc3a997 Mon Sep 17 00:00:00 2001
From: Ethan Peterson <ethan.peterson@mit.edu>
Date: Mon, 25 Sep 2023 17:25:37 -0400
Subject: [PATCH 1948/2654] simplifying LEQI docstring math and removing
 unnecessary operations (#2705)

---
 openmc/deplete/_matrix_funcs.py | 2 +-
 openmc/deplete/integrators.py   | 3 +--
 2 files changed, 2 insertions(+), 3 deletions(-)

diff --git a/openmc/deplete/_matrix_funcs.py b/openmc/deplete/_matrix_funcs.py
index a606d739f..c7f7df76f 100644
--- a/openmc/deplete/_matrix_funcs.py
+++ b/openmc/deplete/_matrix_funcs.py
@@ -77,4 +77,4 @@ def leqi_f4(chain, inputs, fission_yields=None):
     return (-dt ** 2 / (12 * dt_l * (dt + dt_l)) * f1
             + (dt ** 2 + 2 * dt * dt_l + dt_l ** 2)
             / (12 * dt_l * (dt + dt_l)) * f2
-            + (4 * dt * dt_l + 5 * dt_l ** 2) / (12 * dt_l * (dt + dt_l)) * f3)
+            + (4 * dt + 5 * dt_l) / (12 * (dt + dt_l)) * f3)
diff --git a/openmc/deplete/integrators.py b/openmc/deplete/integrators.py
index d17105fc7..a877c4900 100644
--- a/openmc/deplete/integrators.py
+++ b/openmc/deplete/integrators.py
@@ -360,8 +360,7 @@ class LEQIIntegrator(Integrator):
               h_i)} \mathbf{A}_0 + \frac{h_{i-1}}{12 (h_{i-1} + h_i)} \mathbf{A}_1 \\
         \mathbf{F}_4 &= \frac{-h_i^2}{12 h_{i-1} (h_{i-1} + h_i)} \mathbf{A}_{-1} +
               \frac{h_{i-1}^2 + 2 h_i h_{i-1} + h_i^2}{12 h_{i-1} (h_{i-1} + h_i)}
-              \mathbf{A}_0 + \frac{5 h_{i-1}^2 + 4 h_i h_{i-1}}{12 h_{i-1}
-              (h_{i-1} + h_i)} \mathbf{A}_1 \\
+              \mathbf{A}_0 + \frac{5 h_{i-1} + 4 h_i}{12 (h_{i-1} + h_i)} \mathbf{A}_1 \\
         \mathbf{n}_{i+1} &= \exp(h_i \mathbf{F}_4) \exp(h_i \mathbf{F}_3) \mathbf{n}_i
         \end{aligned}
 

From 989875b0701b0dacabbbcfde1f98a6eecd522484 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Tue, 26 Sep 2023 01:37:25 +0100
Subject: [PATCH 1949/2654] allowing different volume methods for diff mat
 (#2691)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/deplete/coupled_operator.py            | 55 +++++++++++-----
 openmc/deplete/independent_operator.py        |  8 +--
 openmc/deplete/openmc_operator.py             | 15 ++++-
 .../test_deplete_coupled_operator.py          | 65 +++++++++++++++++++
 4 files changed, 120 insertions(+), 23 deletions(-)

diff --git a/openmc/deplete/coupled_operator.py b/openmc/deplete/coupled_operator.py
index 54f8f9462..86b3f10a3 100644
--- a/openmc/deplete/coupled_operator.py
+++ b/openmc/deplete/coupled_operator.py
@@ -164,6 +164,13 @@ class CoupledOperator(OpenMCOperator):
         ``None`` implies no limit on the depth.
 
         .. versionadded:: 0.12
+    diff_volume_method : str
+        Specifies how the volumes of the new materials should be found. Default
+        is to 'divide equally' which divides the original material volume
+        equally between the new materials, 'match cell' sets the volume of the
+        material to volume of the cell they fill.
+
+        .. versionadded:: 0.13.4
 
     Attributes
     ----------
@@ -206,8 +213,8 @@ class CoupledOperator(OpenMCOperator):
     }
 
     def __init__(self, model, chain_file=None, prev_results=None,
-                 diff_burnable_mats=False, normalization_mode="fission-q",
-                 fission_q=None,
+                 diff_burnable_mats=False, diff_volume_method="divide equally",
+                 normalization_mode="fission-q", fission_q=None,
                  fission_yield_mode="constant", fission_yield_opts=None,
                  reaction_rate_mode="direct", reaction_rate_opts=None,
                  reduce_chain=False, reduce_chain_level=None):
@@ -257,15 +264,16 @@ class CoupledOperator(OpenMCOperator):
         }
 
         super().__init__(
-            model.materials,
-            cross_sections,
-            chain_file,
-            prev_results,
-            diff_burnable_mats,
-            fission_q,
-            helper_kwargs,
-            reduce_chain,
-            reduce_chain_level)
+            materials=model.materials,
+            cross_sections=cross_sections,
+            chain_file=chain_file,
+            prev_results=prev_results,
+            diff_burnable_mats=diff_burnable_mats,
+            diff_volume_method=diff_volume_method,
+            fission_q=fission_q,
+            helper_kwargs=helper_kwargs,
+            reduce_chain=reduce_chain,
+            reduce_chain_level=reduce_chain_level)
 
     def _differentiate_burnable_mats(self):
         """Assign distribmats for each burnable material"""
@@ -278,19 +286,30 @@ class CoupledOperator(OpenMCOperator):
             [mat for mat in self.materials
              if mat.depletable and mat.num_instances > 1])
 
-        for mat in distribmats:
-            if mat.volume is None:
-                raise RuntimeError("Volume not specified for depletable "
-                                   "material with ID={}.".format(mat.id))
-            mat.volume /= mat.num_instances
+        if self.diff_volume_method == 'divide equally':
+            for mat in distribmats:
+                if mat.volume is None:
+                    raise RuntimeError("Volume not specified for depletable "
+                                       f"material with ID={mat.id}.")
+                mat.volume /= mat.num_instances
 
         if distribmats:
             # Assign distribmats to cells
             for cell in self.geometry.get_all_material_cells().values():
                 if cell.fill in distribmats:
                     mat = cell.fill
-                    cell.fill = [mat.clone()
-                                 for i in range(cell.num_instances)]
+                    if self.diff_volume_method == 'divide equally':
+                        cell.fill = [mat.clone() for _ in range(cell.num_instances)]
+                    elif self.diff_volume_method == 'match cell':
+                        for _ in range(cell.num_instances):
+                            cell.fill = mat.clone()
+                            if not cell.volume:
+                                raise ValueError(
+                                    f"Volume of cell ID={cell.id} not specified. "
+                                    "Set volumes of cells prior to using "
+                                    "diff_volume_method='match cell'."
+                                )
+                            cell.fill.volume = cell.volume
 
         self.materials = openmc.Materials(
             self.model.geometry.get_all_materials().values()
diff --git a/openmc/deplete/independent_operator.py b/openmc/deplete/independent_operator.py
index aa71942df..d089ac373 100644
--- a/openmc/deplete/independent_operator.py
+++ b/openmc/deplete/independent_operator.py
@@ -148,10 +148,10 @@ class IndependentOperator(OpenMCOperator):
 
         self.fluxes = fluxes
         super().__init__(
-            materials,
-            micros,
-            chain_file,
-            prev_results,
+            materials=materials,
+            cross_sections=micros,
+            chain_file=chain_file,
+            prev_results=prev_results,
             fission_q=fission_q,
             helper_kwargs=helper_kwargs,
             reduce_chain=reduce_chain,
diff --git a/openmc/deplete/openmc_operator.py b/openmc/deplete/openmc_operator.py
index 30203d23f..766fbf133 100644
--- a/openmc/deplete/openmc_operator.py
+++ b/openmc/deplete/openmc_operator.py
@@ -12,6 +12,7 @@ from typing import List, Tuple, Dict
 import numpy as np
 
 import openmc
+from openmc.checkvalue import check_value
 from openmc.exceptions import DataError
 from openmc.mpi import comm
 from .abc import TransportOperator, OperatorResult
@@ -45,7 +46,6 @@ class OpenMCOperator(TransportOperator):
         in the previous results.
     diff_burnable_mats : bool, optional
         Whether to differentiate burnable materials with multiple instances.
-        Volumes are divided equally from the original material volume.
     fission_q : dict, optional
         Dictionary of nuclides and their fission Q values [eV].
     helper_kwargs : dict
@@ -58,6 +58,14 @@ class OpenMCOperator(TransportOperator):
         if ``reduce_chain`` evaluates to true. The default value of
         ``None`` implies no limit on the depth.
 
+    diff_volume_method : str
+        Specifies how the volumes of the new materials should be found. Default
+        is to 'divide equally' which divides the original material volume
+        equally between the new materials, 'match cell' sets the volume of the
+        material to volume of the cell they fill.
+
+        .. versionadded:: 0.13.4
+
     Attributes
     ----------
     materials : openmc.Materials
@@ -97,6 +105,7 @@ class OpenMCOperator(TransportOperator):
             chain_file=None,
             prev_results=None,
             diff_burnable_mats=False,
+            diff_volume_method='divide equally',
             fission_q=None,
             helper_kwargs=None,
             reduce_chain=False,
@@ -116,6 +125,10 @@ class OpenMCOperator(TransportOperator):
         self.materials = materials
         self.cross_sections = cross_sections
 
+        check_value('diff volume method', diff_volume_method,
+                    {'divide equally', 'match cell'})
+        self.diff_volume_method = diff_volume_method
+
         # Reduce the chain to only those nuclides present
         if reduce_chain:
             init_nuclides = set()
diff --git a/tests/unit_tests/test_deplete_coupled_operator.py b/tests/unit_tests/test_deplete_coupled_operator.py
index 6de0342b0..4fa1dac2e 100644
--- a/tests/unit_tests/test_deplete_coupled_operator.py
+++ b/tests/unit_tests/test_deplete_coupled_operator.py
@@ -11,6 +11,7 @@ import numpy as np
 
 CHAIN_PATH = Path(__file__).parents[1] / "chain_simple.xml"
 
+
 @pytest.fixture(scope="module")
 def model():
     fuel = openmc.Material(name="uo2")
@@ -48,8 +49,72 @@ def model():
 
     return openmc.Model(geometry, materials, settings)
 
+
+@pytest.fixture()
+def model_with_volumes():
+    mat1 = openmc.Material()
+    mat1.add_element("Ag", 1, percent_type="ao")
+    mat1.set_density("g/cm3", 10.49)
+    mat1.depletable = True
+    mat1.volume = 102
+
+    mat2 = openmc.Material()
+    mat2.add_element("Ag", 1, percent_type="ao")
+    mat2.set_density("g/cm3", 10.49)
+
+    sph1 = openmc.Sphere(r=1.0)
+    sph2 = openmc.Sphere(r=2.0, x0=3)
+    sph3 = openmc.Sphere(r=5.0, boundary_type="vacuum")
+
+    cell1 = openmc.Cell(region=-sph1, fill=mat1)
+    cell1.volume = 4.19
+    cell2 = openmc.Cell(region=-sph2, fill=mat1)
+    cell2.volume = 33.51
+    cell3 = openmc.Cell(region=-sph3 & +sph1 & +sph2, fill=mat2)
+    cell3.volume = 485.9
+
+    geometry = openmc.Geometry([cell1, cell2, cell3])
+
+    return openmc.Model(geometry)
+
+
 def test_operator_init(model):
     """The test uses a temporary dummy chain. This file will be removed
     at the end of the test, and only contains a depletion_chain node."""
 
     CoupledOperator(model, CHAIN_PATH)
+
+
+def test_diff_volume_method_match_cell(model_with_volumes):
+    """Tests the volumes assigned to the materials match the cell volumes"""
+
+    operator = openmc.deplete.CoupledOperator(
+        model=model_with_volumes,
+        diff_burnable_mats=True,
+        diff_volume_method='match cell',
+        chain_file=CHAIN_PATH
+    )
+
+    all_cells = list(operator.geometry.get_all_cells().values())
+    assert all_cells[0].fill.volume == 4.19
+    assert all_cells[1].fill.volume == 33.51
+    # mat2 is not depletable
+    assert all_cells[2].fill.volume is None
+
+
+def test_diff_volume_method_divide_equally(model_with_volumes):
+    """Tests the volumes assigned to the materials are divided equally"""
+
+    operator = openmc.deplete.CoupledOperator(
+        model=model_with_volumes,
+        diff_burnable_mats=True,
+        diff_volume_method='divide equally',
+        chain_file=CHAIN_PATH
+    )
+
+    all_cells = list(operator.geometry.get_all_cells().values())
+    assert all_cells[0].fill[0].volume == 51
+    assert all_cells[1].fill[0].volume == 51
+    # mat2 is not depletable
+    assert all_cells[2].fill.volume is None
+

From d765bd031f94428d5ebbad009af05ac91d007fae Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erik.knudsen@copenhagenatomics.com>
Date: Tue, 26 Sep 2023 03:12:04 +0200
Subject: [PATCH 1950/2654] Limit number of lost particles written to disk. 
 (#2688)

Co-authored-by: John Tramm <john.tramm@gmail.com>
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 docs/source/io_formats/settings.rst     | 10 +++++
 include/openmc/settings.h               |  3 ++
 openmc/settings.py                      | 29 +++++++++++++++
 src/finalize.cpp                        |  1 +
 src/particle.cpp                        |  6 ++-
 src/settings.cpp                        |  7 ++++
 tests/unit_tests/test_lost_particles.py | 49 +++++++++++++++++++++++++
 7 files changed, 103 insertions(+), 2 deletions(-)
 create mode 100644 tests/unit_tests/test_lost_particles.py

diff --git a/docs/source/io_formats/settings.rst b/docs/source/io_formats/settings.rst
index db90d93dc..752c1a1e2 100644
--- a/docs/source/io_formats/settings.rst
+++ b/docs/source/io_formats/settings.rst
@@ -276,6 +276,16 @@ then, OpenMC will only use up to the :math:`P_1` data.
   .. note:: This element is not used in the continuous-energy
     :ref:`energy_mode`.
 
+
+--------------------------------------
+``<max_write_lost_particles>`` Element
+--------------------------------------
+
+This ``<max_write_lost_particles>`` element indicates the maximum number of
+particle restart files (per MPI process) to write for lost particles.
+
+  *Default*: None
+
 .. _mesh_element:
 
 ------------------
diff --git a/include/openmc/settings.h b/include/openmc/settings.h
index 9f7882643..ff09d6a75 100644
--- a/include/openmc/settings.h
+++ b/include/openmc/settings.h
@@ -82,6 +82,9 @@ extern "C" int32_t max_lost_particles; //!< maximum number of lost particles
 extern double
   rel_max_lost_particles; //!< maximum number of lost particles, relative to the
                           //!< total number of particles
+extern "C" int32_t
+  max_write_lost_particles;       //!< maximum number of lost particles
+                                  //!< to be written to files
 extern "C" int32_t gen_per_batch; //!< number of generations per batch
 extern "C" int64_t n_particles;   //!< number of particles per generation
 
diff --git a/openmc/settings.py b/openmc/settings.py
index ef20d54db..bf24dcc04 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -121,6 +121,11 @@ class Settings:
         Maximum number of tracks written to a track file (per MPI process).
 
         .. versionadded:: 0.13.1
+    max_write_lost_particles : int
+        Maximum number of particle restart files (per MPI process) to write for
+        lost particles.
+
+        .. versionadded:: 0.13.4
     no_reduce : bool
         Indicate that all user-defined and global tallies should not be reduced
         across processes in a parallel calculation.
@@ -261,6 +266,7 @@ class Settings:
         self._inactive = None
         self._max_lost_particles = None
         self._rel_max_lost_particles = None
+        self._max_write_lost_particles = None
         self._particles = None
         self._keff_trigger = None
 
@@ -398,6 +404,16 @@ class Settings:
         cv.check_less_than('rel_max_lost_particles', rel_max_lost_particles, 1)
         self._rel_max_lost_particles = rel_max_lost_particles
 
+    @property
+    def max_write_lost_particles(self) -> int:
+        return self._max_write_lost_particles
+
+    @max_write_lost_particles.setter
+    def max_write_lost_particles(self, max_write_lost_particles: int):
+        cv.check_type('max_write_lost_particles', max_write_lost_particles, Integral)
+        cv.check_greater_than('max_write_lost_particles', max_write_lost_particles, 0)
+        self._max_write_lost_particles = max_write_lost_particles
+
     @property
     def particles(self) -> int:
         return self._particles
@@ -1014,6 +1030,11 @@ class Settings:
             element = ET.SubElement(root, "rel_max_lost_particles")
             element.text = str(self._rel_max_lost_particles)
 
+    def _create_max_write_lost_particles_subelement(self, root):
+        if self._max_write_lost_particles is not None:
+            element = ET.SubElement(root, "max_write_lost_particles")
+            element.text = str(self._max_write_lost_particles)
+
     def _create_particles_subelement(self, root):
         if self._particles is not None:
             element = ET.SubElement(root, "particles")
@@ -1376,6 +1397,7 @@ class Settings:
             self._inactive_from_xml_element(elem)
             self._max_lost_particles_from_xml_element(elem)
             self._rel_max_lost_particles_from_xml_element(elem)
+            self._max_write_lost_particles_from_xml_element(elem)
             self._generations_per_batch_from_xml_element(elem)
 
     def _run_mode_from_xml_element(self, root):
@@ -1408,6 +1430,11 @@ class Settings:
         if text is not None:
             self.rel_max_lost_particles = float(text)
 
+    def _max_write_lost_particles_from_xml_element(self, root):
+        text = get_text(root, 'max_write_lost_particles')
+        if text is not None:
+            self.max_write_lost_particles = int(text)
+
     def _generations_per_batch_from_xml_element(self, root):
         text = get_text(root, 'generations_per_batch')
         if text is not None:
@@ -1719,6 +1746,7 @@ class Settings:
         self._create_inactive_subelement(element)
         self._create_max_lost_particles_subelement(element)
         self._create_rel_max_lost_particles_subelement(element)
+        self._create_max_write_lost_particles_subelement(element)
         self._create_generations_per_batch_subelement(element)
         self._create_keff_trigger_subelement(element)
         self._create_source_subelement(element)
@@ -1815,6 +1843,7 @@ class Settings:
         settings._inactive_from_xml_element(elem)
         settings._max_lost_particles_from_xml_element(elem)
         settings._rel_max_lost_particles_from_xml_element(elem)
+        settings._max_write_lost_particles_from_xml_element(elem)
         settings._generations_per_batch_from_xml_element(elem)
         settings._keff_trigger_from_xml_element(elem)
         settings._source_from_xml_element(elem, meshes)
diff --git a/src/finalize.cpp b/src/finalize.cpp
index f3fe20c27..b5b23b9d5 100644
--- a/src/finalize.cpp
+++ b/src/finalize.cpp
@@ -88,6 +88,7 @@ int openmc_finalize()
   settings::max_particles_in_flight = 100000;
   settings::max_splits = 1000;
   settings::max_tracks = 1000;
+  settings::max_write_lost_particles = -1;
   settings::n_inactive = 0;
   settings::n_particles = -1;
   settings::output_summary = true;
diff --git a/src/particle.cpp b/src/particle.cpp
index ceef073c4..1aabc4dea 100644
--- a/src/particle.cpp
+++ b/src/particle.cpp
@@ -709,8 +709,10 @@ void Particle::mark_as_lost(const char* message)
 {
   // Print warning and write lost particle file
   warning(message);
-  write_restart();
-
+  if (settings::max_write_lost_particles < 0 ||
+      simulation::n_lost_particles < settings::max_write_lost_particles) {
+    write_restart();
+  }
   // Increment number of lost particles
   wgt() = 0.0;
 #pragma omp atomic
diff --git a/src/settings.cpp b/src/settings.cpp
index ac56320e8..a3f7645d8 100644
--- a/src/settings.cpp
+++ b/src/settings.cpp
@@ -89,6 +89,7 @@ std::string weight_windows_file;
 int32_t n_inactive {0};
 int32_t max_lost_particles {10};
 double rel_max_lost_particles {1.0e-6};
+int32_t max_write_lost_particles {-1};
 int32_t gen_per_batch {1};
 int64_t n_particles {-1};
 
@@ -172,6 +173,12 @@ void get_run_parameters(pugi::xml_node node_base)
       std::stod(get_node_value(node_base, "rel_max_lost_particles"));
   }
 
+  // Get relative number of lost particles
+  if (check_for_node(node_base, "max_write_lost_particles")) {
+    max_write_lost_particles =
+      std::stoi(get_node_value(node_base, "max_write_lost_particles"));
+  }
+
   // Get number of inactive batches
   if (run_mode == RunMode::EIGENVALUE) {
     if (check_for_node(node_base, "inactive")) {
diff --git a/tests/unit_tests/test_lost_particles.py b/tests/unit_tests/test_lost_particles.py
new file mode 100644
index 000000000..478ddbaf0
--- /dev/null
+++ b/tests/unit_tests/test_lost_particles.py
@@ -0,0 +1,49 @@
+from pathlib import Path
+
+import openmc
+import pytest
+
+from tests.testing_harness import config
+
+
+@pytest.fixture
+def model():
+    mat = openmc.Material()
+    mat.add_nuclide('N14', 1.0)
+    mat.set_density('g/cm3', 1e-5)
+
+    s1 = openmc.Sphere(r=80.0)
+    s2 = openmc.Sphere(r=90.0)
+    s3 = openmc.Sphere(r=100.0, boundary_type='vacuum')
+    cell1 = openmc.Cell(fill=mat, region=-s1)
+    cell2 = openmc.Cell(fill=mat, region=+s2 & -s3)
+    model = openmc.Model()
+    model.geometry = openmc.Geometry([cell1, cell2])
+
+    model.settings.run_mode = 'fixed source'
+    model.settings.batches = 10
+    model.settings.inactive = 5
+    model.settings.particles = 50
+    model.settings.max_lost_particles = 1000
+    model.settings.source = openmc.IndependentSource(space=openmc.stats.Point())
+
+    return model
+
+
+def test_max_write_lost_particles(model: openmc.Model, run_in_tmpdir):
+    # Set maximum number of lost particle restart files
+    model.settings.max_write_lost_particles = 5
+
+    # Run OpenMC to generate lost particle files. Use one thread so that we know
+    # exactly how much will be produced. If running in MPI mode, setup proper
+    # keyword arguments for run()
+    kwargs = {'openmc_exec': config['exe']}
+    if config['mpi']:
+        kwargs['mpi_args'] = [config['mpiexec'], '-n', config['mpi_np']]
+    model.run(threads=1, **kwargs)
+
+    # Make sure number of lost particle files is as expected
+    lost_particle_files = list(Path.cwd().glob('particle*.h5'))
+    n_procs = int(config['mpi_np']) if config['mpi'] else 1
+    assert len(lost_particle_files) == model.settings.max_write_lost_particles * n_procs
+

From 9b7b33c7fab86170d7f55cc048b67ab1337a59c7 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Tue, 26 Sep 2023 04:37:19 +0100
Subject: [PATCH 1951/2654] Ruff comments on code (#2696)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/cmfd.py                      |  9 ---------
 openmc/data/angle_distribution.py   |  5 -----
 openmc/data/reaction.py             |  1 -
 openmc/data/resonance.py            |  6 +-----
 openmc/data/resonance_covariance.py | 14 +-------------
 openmc/deplete/helpers.py           |  1 -
 openmc/filter.py                    |  4 ++--
 openmc/mgxs/mdgxs.py                |  5 +----
 openmc/model/model.py               |  2 --
 openmc/model/surface_composite.py   | 10 +++++-----
 openmc/settings.py                  |  1 -
 openmc/weight_windows.py            |  2 --
 12 files changed, 10 insertions(+), 50 deletions(-)

diff --git a/openmc/cmfd.py b/openmc/cmfd.py
index d45396f14..1b4bfa5e2 100644
--- a/openmc/cmfd.py
+++ b/openmc/cmfd.py
@@ -1308,9 +1308,6 @@ class CMFDRun:
             Whether or not to run an adjoint calculation
 
         """
-        # Check for physical adjoint
-        physical_adjoint = adjoint and self._adjoint_type == 'physical'
-
         # Start timer for build
         time_start_buildcmfd = time.time()
 
@@ -1432,9 +1429,6 @@ class CMFDRun:
         # indices of the actual problem so that cmfd_flux can be multiplied by
         # nfissxs
 
-        # Calculate volume
-        vol = np.prod(self._hxyz, axis=3)
-
         # Reshape phi by number of groups
         phi = self._phi.reshape((n, ng))
 
@@ -2148,7 +2142,6 @@ class CMFDRun:
         is_accel = self._coremap != _CMFD_NOACCEL
         # Logical for determining whether a zero flux "albedo" b.c. should be
         # applied
-        is_zero_flux_alb = abs(self._albedo - _ZERO_FLUX) < _TINY_BIT
         x_inds, y_inds, z_inds = np.indices((nx, ny, nz))
 
         # Define slice equivalent to is_accel[0,:,:]
@@ -2725,8 +2718,6 @@ class CMFDRun:
 
         # Define flux in each cell
         cell_flux = self._flux / dxdydz
-        # Extract indices of coremap that are accelerated
-        is_accel = self._coremap != _CMFD_NOACCEL
 
         # Define dhat at left surface for all mesh cells on left boundary
         boundary = self._first_x_accel
diff --git a/openmc/data/angle_distribution.py b/openmc/data/angle_distribution.py
index bb0eafe5a..e59ffa0c7 100644
--- a/openmc/data/angle_distribution.py
+++ b/openmc/data/angle_distribution.py
@@ -235,7 +235,6 @@ class AngleDistribution(EqualityMixin):
         items = get_cont_record(file_obj)
         li = items[2]
         nk = items[4]
-        center_of_mass = (items[3] == 2)
 
         # Check for obsolete energy transformation matrix. If present, just skip
         # it and keep reading
@@ -259,7 +258,6 @@ class AngleDistribution(EqualityMixin):
             mu = []
             for i in range(n_energy):
                 items, al = get_list_record(file_obj)
-                temperature = items[0]
                 energy[i] = items[1]
                 coefficients = np.asarray([1.0] + al)
                 mu.append(Legendre(coefficients))
@@ -273,7 +271,6 @@ class AngleDistribution(EqualityMixin):
             mu = []
             for i in range(n_energy):
                 params, f = get_tab1_record(file_obj)
-                temperature = params[0]
                 energy[i] = params[1]
                 if f.n_regions > 1:
                     raise NotImplementedError('Angular distribution with multiple '
@@ -289,7 +286,6 @@ class AngleDistribution(EqualityMixin):
             mu = []
             for i in range(n_energy_legendre):
                 items, al = get_list_record(file_obj)
-                temperature = items[0]
                 energy_legendre[i] = items[1]
                 coefficients = np.asarray([1.0] + al)
                 mu.append(Legendre(coefficients))
@@ -300,7 +296,6 @@ class AngleDistribution(EqualityMixin):
             energy_tabulated = np.zeros(n_energy_tabulated)
             for i in range(n_energy_tabulated):
                 params, f = get_tab1_record(file_obj)
-                temperature = params[0]
                 energy_tabulated[i] = params[1]
                 if f.n_regions > 1:
                     raise NotImplementedError('Angular distribution with multiple '
diff --git a/openmc/data/reaction.py b/openmc/data/reaction.py
index 650e8663e..04a68d739 100644
--- a/openmc/data/reaction.py
+++ b/openmc/data/reaction.py
@@ -109,7 +109,6 @@ def _get_products(ev, mt):
 
         za = int(params[0])
         awr = params[1]
-        lip = params[2]
         law = params[3]
 
         if za == 0:
diff --git a/openmc/data/resonance.py b/openmc/data/resonance.py
index 7b9cd268f..340d73a18 100644
--- a/openmc/data/resonance.py
+++ b/openmc/data/resonance.py
@@ -93,9 +93,8 @@ class Resonances:
         n_isotope = items[4]  # Number of isotopes
 
         ranges = []
-        for iso in range(n_isotope):
+        for _ in range(n_isotope):
             items = get_cont_record(file_obj)
-            abundance = items[1]
             fission_widths = (items[3] == 1)  # fission widths are given?
             n_ranges = items[4]  # number of resonance energy ranges
 
@@ -424,14 +423,12 @@ class MultiLevelBreitWigner(ResonanceRange):
             # Determine penetration and shift corresponding to resonance energy
             k = wave_number(A, E)
             rho = k*self.channel_radius[l](E)
-            rhohat = k*self.scattering_radius[l](E)
             p[i], s[i] = penetration_shift(l, rho)
 
             # Determine penetration at modified energy for competitive reaction
             if gx > 0:
                 Ex = E + self.q_value[l]*(A + 1)/A
                 rho = k*self.channel_radius[l](Ex)
-                rhohat = k*self.scattering_radius[l](Ex)
                 px[i], sx[i] = penetration_shift(l, rho)
             else:
                 px[i] = sx[i] = 0.0
@@ -680,7 +677,6 @@ class ReichMoore(ResonanceRange):
             # Determine penetration and shift corresponding to resonance energy
             k = wave_number(A, E)
             rho = k*self.channel_radius[l](E)
-            rhohat = k*self.scattering_radius[l](E)
             p[i], s[i] = penetration_shift(l, rho)
 
         df['p'] = p
diff --git a/openmc/data/resonance_covariance.py b/openmc/data/resonance_covariance.py
index 9e80e52f2..9ba429cb4 100644
--- a/openmc/data/resonance_covariance.py
+++ b/openmc/data/resonance_covariance.py
@@ -93,10 +93,8 @@ class ResonanceCovariances(Resonances):
         n_isotope = items[4]  # Number of isotopes
 
         ranges = []
-        for iso in range(n_isotope):
+        for _ in range(n_isotope):
             items = endf.get_cont_record(file_obj)
-            abundance = items[1]
-            fission_widths = (items[3] == 1)  # Flag for fission widths
             n_ranges = items[4]  # Number of resonance energy ranges
 
             for j in range(n_ranges):
@@ -378,7 +376,6 @@ class MultiLevelBreitWignerCovariance(ResonanceCovarianceRange):
 
         # Other scatter radius parameters
         items = endf.get_cont_record(file_obj)
-        target_spin = items[0]
         lcomp = items[3]  # Flag for compatibility 0, 1, 2 - 2 is compact form
         nls = items[4]  # number of l-values
 
@@ -387,8 +384,6 @@ class MultiLevelBreitWignerCovariance(ResonanceCovarianceRange):
             items = endf.get_cont_record(file_obj)
             # Number of short range type resonance covariances
             num_short_range = items[4]
-            # Number of long range type resonance covariances
-            num_long_range = items[5]
 
             # Read resonance widths, J values, etc
             records = []
@@ -421,7 +416,6 @@ class MultiLevelBreitWignerCovariance(ResonanceCovarianceRange):
         # compact correlations
         elif lcomp == 2:
             items, values = endf.get_list_record(file_obj)
-            mean = items
             num_res = items[5]
             energy = values[0::12]
             spin = values[1::12]
@@ -613,20 +607,14 @@ class ReichMooreCovariance(ResonanceCovarianceRange):
 
         # Other scatter radius parameters
         items = endf.get_cont_record(file_obj)
-        target_spin = items[0]
         lcomp = items[3]  # Flag for compatibility 0, 1, 2 - 2 is compact form
-        nls = items[4]  # Number of l-values
 
         # Build covariance matrix for General Resolved Resonance Formats
         if lcomp == 1:
             items = endf.get_cont_record(file_obj)
             # Number of short range type resonance covariances
             num_short_range = items[4]
-            # Number of long range type resonance covariances
-            num_long_range = items[5]
             # Read resonance widths, J values, etc
-            channel_radius = {}
-            scattering_radius = {}
             records = []
             for i in range(num_short_range):
                 items, values = endf.get_list_record(file_obj)
diff --git a/openmc/deplete/helpers.py b/openmc/deplete/helpers.py
index 3da8c5c9e..f24b89868 100644
--- a/openmc/deplete/helpers.py
+++ b/openmc/deplete/helpers.py
@@ -594,7 +594,6 @@ class ConstantFissionYieldHelper(FissionYieldHelper):
                 self._constant_yields[name] = yield_data
                 continue
             # Specific energy not found, use closest energy
-            distances = [abs(energy - ene) for ene in nuc.yield_energies]
             min_E = min(nuc.yield_energies, key=lambda e: abs(e - energy))
             self._constant_yields[name] = nuc.yield_data[min_E]
 
diff --git a/openmc/filter.py b/openmc/filter.py
index d8cf59c00..311db94d1 100644
--- a/openmc/filter.py
+++ b/openmc/filter.py
@@ -1222,8 +1222,8 @@ class RealFilter(Filter):
     def get_bin_index(self, filter_bin):
         i = np.where(self.bins[:, 1] == filter_bin[1])[0]
         if len(i) == 0:
-            msg = (f'Unable to get the bin index for Filter since '
-                   '"{filter_bin}" is not one of the bins')
+            msg = ('Unable to get the bin index for Filter since '
+                   f'"{filter_bin}" is not one of the bins')
             raise ValueError(msg)
         else:
             return i[0]
diff --git a/openmc/mgxs/mdgxs.py b/openmc/mgxs/mdgxs.py
index 3a6732748..c9d76bc10 100644
--- a/openmc/mgxs/mdgxs.py
+++ b/openmc/mgxs/mdgxs.py
@@ -216,7 +216,7 @@ class MDGXS(MGXS):
         group_edges = self.energy_groups.group_edges
         energy_filter = openmc.EnergyFilter(group_edges)
 
-        if self.delayed_groups != None:
+        if self.delayed_groups is not None:
             delayed_filter = openmc.DelayedGroupFilter(self.delayed_groups)
             filters = [[energy_filter], [delayed_filter, energy_filter]]
         else:
@@ -1884,9 +1884,6 @@ class DecayRate(MDGXS):
     @property
     def filters(self):
 
-        # Create the non-domain specific Filters for the Tallies
-        group_edges = self.energy_groups.group_edges
-
         if self.delayed_groups is not None:
             delayed_filter = openmc.DelayedGroupFilter(self.delayed_groups)
             filters = [[delayed_filter], [delayed_filter]]
diff --git a/openmc/model/model.py b/openmc/model/model.py
index 2b5681d81..7f9cbdfbe 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -499,8 +499,6 @@ class Model:
             warnings.warn("remove_surfs kwarg will be deprecated soon, please "
                           "set the Geometry.merge_surfaces attribute instead.")
             self.geometry.merge_surfaces = True
-            # Can be used to modify tallies in case any surfaces are redundant
-            redundant_surfaces = self.geometry.remove_redundant_surfaces()
 
         # provide a memo to track which meshes have been written
         mesh_memo = set()
diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index c52ce44e1..279f3ed06 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -120,10 +120,10 @@ class CylinderSector(CompositeSurface):
                  **kwargs):
 
         if r2 <= r1:
-            raise ValueError(f'r2 must be greater than r1.')
+            raise ValueError('r2 must be greater than r1.')
 
         if theta2 <= theta1:
-            raise ValueError(f'theta2 must be greater than theta1.')
+            raise ValueError('theta2 must be greater than theta1.')
 
         phi1 = pi / 180 * theta1
         phi2 = pi / 180 * theta2
@@ -204,7 +204,7 @@ class CylinderSector(CompositeSurface):
             offset.
         """
         if theta >= 360. or theta <= 0:
-            raise ValueError(f'theta must be less than 360 and greater than 0.')
+            raise ValueError('theta must be less than 360 and greater than 0.')
 
         theta1 = alpha
         theta2 = alpha + theta
@@ -288,10 +288,10 @@ class IsogonalOctagon(CompositeSurface):
 
         # Side lengths
         if r2 > r1 * sqrt(2):
-            raise ValueError(f'r2 is greater than sqrt(2) * r1. Octagon' +
+            raise ValueError('r2 is greater than sqrt(2) * r1. Octagon' +
                              ' may be erroneous.')
         if r1 > r2 * sqrt(2):
-            raise ValueError(f'r1 is greater than sqrt(2) * r2. Octagon' +
+            raise ValueError('r1 is greater than sqrt(2) * r2. Octagon' +
                              ' may be erroneous.')
 
         L_basis_ax = (r2 * sqrt(2) - r1)
diff --git a/openmc/settings.py b/openmc/settings.py
index bf24dcc04..13024c47f 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -1,5 +1,4 @@
 import os
-import typing  # imported separately as py3.8 requires typing.Iterable
 from collections.abc import Iterable, Mapping, MutableSequence
 from enum import Enum
 import itertools
diff --git a/openmc/weight_windows.py b/openmc/weight_windows.py
index 9f0f2e123..a8e41a3c8 100644
--- a/openmc/weight_windows.py
+++ b/openmc/weight_windows.py
@@ -1,5 +1,4 @@
 from __future__ import annotations
-from collections.abc import Iterable
 from numbers import Real, Integral
 from typing import Iterable, List, Optional, Dict, Sequence
 import warnings
@@ -481,7 +480,6 @@ def wwinp_to_wws(path: PathLike) -> List[WeightWindows]:
         # read file type, time-dependence, number of
         # particles, mesh type and problem identifier
         _if, iv, ni, nr = [int(x) for x in header[:4]]
-        probid = header[4] if len(header) > 4 else ""
 
         # header value checks
         if _if != 1:

From 9cf2f22f2489d8cad79349b0aa9308d7f674edcd Mon Sep 17 00:00:00 2001
From: Xinyan Wang <wangxinyan0619@gmail.com>
Date: Tue, 26 Sep 2023 01:03:49 -0400
Subject: [PATCH 1952/2654] Apply Weight Window Upon Surface Crossing (#2670)

Co-authored-by: Patrick Shriwise <pshriwise@gmail.com>
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 docs/source/io_formats/settings.rst | 19 +++++++++++++
 include/openmc/settings.h           |  8 ++++--
 openmc/settings.py                  | 41 +++++++++++++++++++++++++++++
 src/particle.cpp                    |  4 +++
 src/physics.cpp                     |  9 +++----
 src/settings.cpp                    | 15 +++++++++++
 src/weight_windows.cpp              |  7 +++++
 tests/unit_tests/test_settings.py   |  2 ++
 8 files changed, 97 insertions(+), 8 deletions(-)

diff --git a/docs/source/io_formats/settings.rst b/docs/source/io_formats/settings.rst
index 752c1a1e2..226e9084e 100644
--- a/docs/source/io_formats/settings.rst
+++ b/docs/source/io_formats/settings.rst
@@ -1211,6 +1211,25 @@ mesh-based weight windows.
 
         *Default*: 5.0
 
+---------------------------------------
+``<weight_window_checkpoints>`` Element
+---------------------------------------
+
+The ``<weight_window_checkpoints>`` element indicates the checkpoints for weight
+window split/roulette (surface, collision or both). This element has the
+following sub-elements/attributes:
+
+  :surface:
+    If set to "true", weight window checks will be performed at surface
+    crossings.
+
+    *Default*: False
+
+  :collision:
+    If set to "true", weight window checks will be performed at collisions.
+
+    *Default*: True
+
 --------------------------------------
 ``<weight_windows_file>`` Element
 --------------------------------------
diff --git a/include/openmc/settings.h b/include/openmc/settings.h
index ff09d6a75..69a8d7d13 100644
--- a/include/openmc/settings.h
+++ b/include/openmc/settings.h
@@ -59,8 +59,12 @@ extern bool trigger_predict;       //!< predict batches for triggers?
 extern bool ufs_on;                //!< uniform fission site method on?
 extern bool urr_ptables_on;        //!< use unresolved resonance prob. tables?
 extern "C" bool weight_windows_on; //!< are weight windows are enabled?
-extern bool write_all_tracks;      //!< write track files for every particle?
-extern bool write_initial_source;  //!< write out initial source file?
+extern bool weight_window_checkpoint_surface;   //!< enable weight window check
+                                                //!< upon surface crossing?
+extern bool weight_window_checkpoint_collision; //!< enable weight window check
+                                                //!< upon collision?
+extern bool write_all_tracks;     //!< write track files for every particle?
+extern bool write_initial_source; //!< write out initial source file?
 
 // Paths to various files
 extern std::string path_cross_sections; //!< path to cross_sections.xml
diff --git a/openmc/settings.py b/openmc/settings.py
index 13024c47f..91e42a28b 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -236,6 +236,11 @@ class Settings:
         Weight windows to use for variance reduction
 
         .. versionadded:: 0.13
+    weight_window_checkpoints : dict
+        Indicates the checkpoints for weight window split/roulettes. Valid keys
+        include "collision" and "surface". Values must be of type bool.
+
+        .. versionadded:: 0.13.4
     weight_window_generators : WeightWindowGenerator or iterable of WeightWindowGenerator
         Weight windows generation parameters to apply during simulation
 
@@ -335,6 +340,7 @@ class Settings:
         self._weight_window_generators = cv.CheckedList(WeightWindowGenerator, 'weight window generators')
         self._weight_windows_on = None
         self._weight_windows_file = None
+        self._weight_window_checkpoints = {}
         self._max_splits = None
         self._max_tracks = None
 
@@ -961,6 +967,16 @@ class Settings:
         cv.check_type('weight windows on', value, bool)
         self._weight_windows_on = value
 
+    @property
+    def weight_window_checkpoints(self) -> dict:
+        return self._weight_window_checkpoints
+
+    @weight_window_checkpoints.setter
+    def weight_window_checkpoints(self, weight_window_checkpoints: dict):
+        for key in weight_window_checkpoints.keys():
+            cv.check_value('weight_window_checkpoints', key, ('collision', 'surface'))
+        self._weight_window_checkpoints = weight_window_checkpoints
+
     @property
     def max_splits(self) -> int:
         return self._max_splits
@@ -1377,6 +1393,19 @@ class Settings:
             element.text = self.weight_windows_file
             root.append(element)
 
+    def _create_weight_window_checkpoints_subelement(self, root):
+        if not self._weight_window_checkpoints:
+            return
+        element = ET.SubElement(root, "weight_window_checkpoints")
+
+        if 'collision' in self._weight_window_checkpoints:
+            subelement = ET.SubElement(element, "collision")
+            subelement.text = str(self._weight_window_checkpoints['collision']).lower()
+
+        if 'surface' in self._weight_window_checkpoints:
+            subelement = ET.SubElement(element, "surface")
+            subelement.text = str(self._weight_window_checkpoints['surface']).lower()
+
     def _create_max_splits_subelement(self, root):
         if self._max_splits is not None:
             elem = ET.SubElement(root, "max_splits")
@@ -1718,6 +1747,16 @@ class Settings:
         if meshes is not None and self.weight_windows:
             meshes.update({ww.mesh.id: ww.mesh for ww in self.weight_windows})
 
+    def _weight_window_checkpoints_from_xml_element(self, root):
+        elem = root.find('weight_window_checkpoints')
+        if elem is None:
+            return
+        for key in ('collision', 'surface'):
+            value = get_text(elem, key)
+            if value is not None:
+                value = value in ('true', '1')
+                self.weight_window_checkpoints[key] = value
+
     def _max_splits_from_xml_element(self, root):
         text = get_text(root, 'max_splits')
         if text is not None:
@@ -1786,6 +1825,7 @@ class Settings:
         self._create_weight_windows_subelement(element, mesh_memo)
         self._create_weight_window_generators_subelement(element, mesh_memo)
         self._create_weight_windows_file_element(element)
+        self._create_weight_window_checkpoints_subelement(element)
         self._create_max_splits_subelement(element)
         self._create_max_tracks_subelement(element)
 
@@ -1882,6 +1922,7 @@ class Settings:
         settings._write_initial_source_from_xml_element(elem)
         settings._weight_windows_from_xml_element(elem, meshes)
         settings._weight_window_generators_from_xml_element(elem, meshes)
+        settings._weight_window_checkpoints_from_xml_element(elem)
         settings._max_splits_from_xml_element(elem)
         settings._max_tracks_from_xml_element(elem)
 
diff --git a/src/particle.cpp b/src/particle.cpp
index 1aabc4dea..e26e25e67 100644
--- a/src/particle.cpp
+++ b/src/particle.cpp
@@ -30,6 +30,7 @@
 #include "openmc/tallies/tally.h"
 #include "openmc/tallies/tally_scoring.h"
 #include "openmc/track_output.h"
+#include "openmc/weight_windows.h"
 
 #ifdef DAGMC
 #include "DagMC.hpp"
@@ -272,6 +273,9 @@ void Particle::event_cross_surface()
   } else {
     // Particle crosses surface
     cross_surface();
+    if (settings::weight_window_checkpoint_surface) {
+      apply_weight_windows(*this);
+    }
     event() = TallyEvent::SURFACE;
   }
   // Score cell to cell partial currents
diff --git a/src/physics.cpp b/src/physics.cpp
index 7101a2969..69e74f2ea 100644
--- a/src/physics.cpp
+++ b/src/physics.cpp
@@ -47,15 +47,9 @@ void collision(Particle& p)
   switch (p.type()) {
   case ParticleType::neutron:
     sample_neutron_reaction(p);
-    if (settings::weight_windows_on) {
-      apply_weight_windows(p);
-    }
     break;
   case ParticleType::photon:
     sample_photon_reaction(p);
-    if (settings::weight_windows_on) {
-      apply_weight_windows(p);
-    }
     break;
   case ParticleType::electron:
     sample_electron_reaction(p);
@@ -65,6 +59,9 @@ void collision(Particle& p)
     break;
   }
 
+  if (settings::weight_window_checkpoint_collision)
+    apply_weight_windows(p);
+
   // Kill particle if energy falls below cutoff
   int type = static_cast<int>(p.type());
   if (p.E() < settings::energy_cutoff[type]) {
diff --git a/src/settings.cpp b/src/settings.cpp
index a3f7645d8..c0a3aacf3 100644
--- a/src/settings.cpp
+++ b/src/settings.cpp
@@ -74,6 +74,8 @@ bool trigger_predict {false};
 bool ufs_on {false};
 bool urr_ptables_on {true};
 bool weight_windows_on {false};
+bool weight_window_checkpoint_surface {false};
+bool weight_window_checkpoint_collision {true};
 bool write_all_tracks {false};
 bool write_initial_source {false};
 
@@ -974,6 +976,19 @@ void read_settings_xml(pugi::xml_node root)
       }
     }
   }
+
+  // Set up weight window checkpoints
+  if (check_for_node(root, "weight_window_checkpoints")) {
+    xml_node ww_checkpoints = root.child("weight_window_checkpoints");
+    if (check_for_node(ww_checkpoints, "collision")) {
+      weight_window_checkpoint_collision =
+        get_node_value_bool(ww_checkpoints, "collision");
+    }
+    if (check_for_node(ww_checkpoints, "surface")) {
+      weight_window_checkpoint_surface =
+        get_node_value_bool(ww_checkpoints, "surface");
+    }
+  }
 }
 
 void free_memory_settings()
diff --git a/src/weight_windows.cpp b/src/weight_windows.cpp
index fe2fcb5cb..1ca83a2bd 100644
--- a/src/weight_windows.cpp
+++ b/src/weight_windows.cpp
@@ -53,6 +53,13 @@ openmc::vector<unique_ptr<WeightWindowsGenerator>> weight_windows_generators;
 
 void apply_weight_windows(Particle& p)
 {
+  if (!settings::weight_windows_on)
+    return;
+
+  // WW on photon and neutron only
+  if (p.type() != ParticleType::neutron && p.type() != ParticleType::photon)
+    return;
+
   // skip dead or no energy
   if (p.E() <= 0 || !p.alive())
     return;
diff --git a/tests/unit_tests/test_settings.py b/tests/unit_tests/test_settings.py
index 4b2cc1824..b1737c461 100644
--- a/tests/unit_tests/test_settings.py
+++ b/tests/unit_tests/test_settings.py
@@ -57,6 +57,7 @@ def test_export_to_xml(run_in_tmpdir):
     s.photon_transport = False
     s.electron_treatment = 'led'
     s.write_initial_source = True
+    s.weight_window_checkpoints = {'surface': True, 'collision': False}
 
     # Make sure exporting XML works
     s.export_to_xml()
@@ -126,3 +127,4 @@ def test_export_to_xml(run_in_tmpdir):
     assert vol.samples == 1000
     assert vol.lower_left == (-10., -10., -10.)
     assert vol.upper_right == (10., 10., 10.)
+    assert s.weight_window_checkpoints == {'surface': True, 'collision': False}

From 11a4638849560641b6778dda7d30d5b4f751582b Mon Sep 17 00:00:00 2001
From: Ethan Peterson <ethan.peterson@mit.edu>
Date: Tue, 26 Sep 2023 03:49:46 -0400
Subject: [PATCH 1953/2654] Faster indexing in `MicroXS` object (#2702)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/deplete/microxs.py | 6 ++++--
 1 file changed, 4 insertions(+), 2 deletions(-)

diff --git a/openmc/deplete/microxs.py b/openmc/deplete/microxs.py
index 18f4317f0..59c7b18e1 100644
--- a/openmc/deplete/microxs.py
+++ b/openmc/deplete/microxs.py
@@ -189,6 +189,8 @@ class MicroXS:
         self.data = data
         self.nuclides = nuclides
         self.reactions = reactions
+        self._index_nuc = {nuc: i for i, nuc in enumerate(nuclides)}
+        self._index_rx = {rx: i for i, rx in enumerate(reactions)}
 
     # TODO: Add a classmethod for generating MicroXS directly from cross section
     # data using a known flux spectrum
@@ -224,8 +226,8 @@ class MicroXS:
 
     def __getitem__(self, index):
         nuc, rx = index
-        i_nuc = self.nuclides.index(nuc)
-        i_rx = self.reactions.index(rx)
+        i_nuc = self._index_nuc[nuc]
+        i_rx = self._index_rx[rx]
         return self.data[i_nuc, i_rx]
 
     def to_csv(self, *args, **kwargs):

From 0c6da383b6bd15e2f548eff5a53b60243862f59c Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 26 Sep 2023 22:17:49 -0500
Subject: [PATCH 1954/2654] Ensure that property setters are used in
 CylindricalMesh and SphericalMesh (#2709)

---
 openmc/mesh.py                                | 32 +++++++++----------
 openmc/weight_windows.py                      |  2 +-
 tests/regression_tests/time_cutoff/test.py    |  4 +--
 .../unit_tests/test_deplete_transfer_rates.py |  4 +--
 tests/unit_tests/test_mesh.py                 | 24 +++++++++-----
 5 files changed, 37 insertions(+), 29 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 60a1c0c93..d683c8808 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -1036,7 +1036,7 @@ class RectilinearMesh(StructuredMesh):
     @x_grid.setter
     def x_grid(self, grid):
         cv.check_type('mesh x_grid', grid, Iterable, Real)
-        self._x_grid = np.asarray(grid)
+        self._x_grid = np.asarray(grid, dtype=float)
 
     @property
     def y_grid(self):
@@ -1045,7 +1045,7 @@ class RectilinearMesh(StructuredMesh):
     @y_grid.setter
     def y_grid(self, grid):
         cv.check_type('mesh y_grid', grid, Iterable, Real)
-        self._y_grid = np.asarray(grid)
+        self._y_grid = np.asarray(grid, dtype=float)
 
     @property
     def z_grid(self):
@@ -1054,7 +1054,7 @@ class RectilinearMesh(StructuredMesh):
     @z_grid.setter
     def z_grid(self, grid):
         cv.check_type('mesh z_grid', grid, Iterable, Real)
-        self._z_grid = np.asarray(grid)
+        self._z_grid = np.asarray(grid, dtype=float)
 
     @property
     def _grids(self):
@@ -1249,9 +1249,9 @@ class CylindricalMesh(StructuredMesh):
     ):
         super().__init__(mesh_id, name)
 
-        self._r_grid = r_grid
-        self._phi_grid = phi_grid
-        self._z_grid = z_grid
+        self.r_grid = r_grid
+        self.phi_grid = phi_grid
+        self.z_grid = z_grid
         self.origin = origin
 
     @property
@@ -1281,7 +1281,7 @@ class CylindricalMesh(StructuredMesh):
     @r_grid.setter
     def r_grid(self, grid):
         cv.check_type('mesh r_grid', grid, Iterable, Real)
-        self._r_grid = np.asarray(grid)
+        self._r_grid = np.asarray(grid, dtype=float)
 
     @property
     def phi_grid(self):
@@ -1290,7 +1290,7 @@ class CylindricalMesh(StructuredMesh):
     @phi_grid.setter
     def phi_grid(self, grid):
         cv.check_type('mesh phi_grid', grid, Iterable, Real)
-        self._phi_grid = np.asarray(grid)
+        self._phi_grid = np.asarray(grid, dtype=float)
 
     @property
     def z_grid(self):
@@ -1299,7 +1299,7 @@ class CylindricalMesh(StructuredMesh):
     @z_grid.setter
     def z_grid(self, grid):
         cv.check_type('mesh z_grid', grid, Iterable, Real)
-        self._z_grid = np.asarray(grid)
+        self._z_grid = np.asarray(grid, dtype=float)
 
     @property
     def _grids(self):
@@ -1610,9 +1610,9 @@ class SphericalMesh(StructuredMesh):
     ):
         super().__init__(mesh_id, name)
 
-        self._r_grid = r_grid
-        self._theta_grid = theta_grid
-        self._phi_grid = phi_grid
+        self.r_grid = r_grid
+        self.theta_grid = theta_grid
+        self.phi_grid = phi_grid
         self.origin = origin
 
     @property
@@ -1633,7 +1633,7 @@ class SphericalMesh(StructuredMesh):
     def origin(self, coords):
         cv.check_type('mesh origin', coords, Iterable, Real)
         cv.check_length("mesh origin", coords, 3)
-        self._origin = np.asarray(coords)
+        self._origin = np.asarray(coords, dtype=float)
 
     @property
     def r_grid(self):
@@ -1642,7 +1642,7 @@ class SphericalMesh(StructuredMesh):
     @r_grid.setter
     def r_grid(self, grid):
         cv.check_type('mesh r_grid', grid, Iterable, Real)
-        self._r_grid = np.asarray(grid)
+        self._r_grid = np.asarray(grid, dtype=float)
 
     @property
     def theta_grid(self):
@@ -1651,7 +1651,7 @@ class SphericalMesh(StructuredMesh):
     @theta_grid.setter
     def theta_grid(self, grid):
         cv.check_type('mesh theta_grid', grid, Iterable, Real)
-        self._theta_grid = np.asarray(grid)
+        self._theta_grid = np.asarray(grid, dtype=float)
 
     @property
     def phi_grid(self):
@@ -1660,7 +1660,7 @@ class SphericalMesh(StructuredMesh):
     @phi_grid.setter
     def phi_grid(self, grid):
         cv.check_type('mesh phi_grid', grid, Iterable, Real)
-        self._phi_grid = np.asarray(grid)
+        self._phi_grid = np.asarray(grid, dtype=float)
 
     @property
     def _grids(self):
diff --git a/openmc/weight_windows.py b/openmc/weight_windows.py
index a8e41a3c8..c7649079b 100644
--- a/openmc/weight_windows.py
+++ b/openmc/weight_windows.py
@@ -908,7 +908,7 @@ class WeightWindowGenerator:
         wwg.on_the_fly = bool(get_text(elem, 'on_the_fly'))
         wwg.method = get_text(elem, 'method')
 
-        if elem.find('update_parameters'):
+        if elem.find('update_parameters') is not None:
             update_parameters = {}
             params_elem = elem.find('update_parameters')
             for entry in params_elem:
diff --git a/tests/regression_tests/time_cutoff/test.py b/tests/regression_tests/time_cutoff/test.py
index 8e13d57b7..9554a6e2a 100755
--- a/tests/regression_tests/time_cutoff/test.py
+++ b/tests/regression_tests/time_cutoff/test.py
@@ -21,8 +21,8 @@ def time_model():
     settings_file.batches = 10
     settings_file.particles = 100
     settings_file.cutoff = {'time_neutron': time_cutoff}
-    settings_file.source = openmc.source.Source(space=openmc.stats.Point(),
-                                                energy=openmc.stats.Discrete([1e4], [1]))
+    settings_file.source = openmc.IndependentSource(
+        space=openmc.stats.Point(), energy=openmc.stats.Discrete([1e4], [1]))
     model.settings = settings_file
 
     # Tally flux under time cutoff
diff --git a/tests/unit_tests/test_deplete_transfer_rates.py b/tests/unit_tests/test_deplete_transfer_rates.py
index 0e0c89497..847606be4 100644
--- a/tests/unit_tests/test_deplete_transfer_rates.py
+++ b/tests/unit_tests/test_deplete_transfer_rates.py
@@ -91,8 +91,8 @@ def test_get_set(model, case_name, transfer_rates):
                                                    transfer_rate)
             elif case_name == 'rates_invalid_2':
                 with pytest.raises(ValueError, match='Cannot add transfer '
-                                    f'rate for element Gd to material 1 with '
-                                   'transfer rate\(s\) for nuclide\(s\) '
+                                   f'rate for element Gd to material 1 with '
+                                   r'transfer rate\(s\) for nuclide\(s\) '
                                    'Gd156, Gd157.'):
                     for component, transfer_rate in transfer_rates.items():
                         transfer.set_transfer_rate(material_input,
diff --git a/tests/unit_tests/test_mesh.py b/tests/unit_tests/test_mesh.py
index 77b40b44f..61e8b2a12 100644
--- a/tests/unit_tests/test_mesh.py
+++ b/tests/unit_tests/test_mesh.py
@@ -101,7 +101,7 @@ def test_SphericalMesh_initiation():
     # test defaults
     mesh = openmc.SphericalMesh(r_grid=(0, 10))
     assert (mesh.origin == np.array([0, 0, 0])).all()
-    assert mesh.r_grid == (0, 10)
+    assert (mesh.r_grid == np.array([0, 10])).all()
     assert (mesh.theta_grid == np.array([0, pi])).all()
     assert (mesh.phi_grid == np.array([0, 2*pi])).all()
 
@@ -113,22 +113,26 @@ def test_SphericalMesh_initiation():
         phi_grid=(2, 4)
     )
     assert (mesh.origin == np.array([1, 2, 3])).all()
-    assert mesh.r_grid == (0., 2.)
-    assert mesh.theta_grid == (1, 3)
-    assert mesh.phi_grid == (2, 4)
+    assert (mesh.r_grid == np.array([0., 2.])).all()
+    assert (mesh.theta_grid == np.array([1, 3])).all()
+    assert (mesh.phi_grid == np.array([2, 4])).all()
 
     # test attribute changing
     mesh.r_grid = (0, 11)
     assert (mesh.r_grid == np.array([0., 11.])).all()
 
+    # waffles and pancakes are unfortunately not valid radii
+    with pytest.raises(TypeError):
+        openmc.SphericalMesh(('🧇', '🥞'))
+
 
 def test_CylindricalMesh_initiation():
     # test defaults
     mesh = openmc.CylindricalMesh(r_grid=(0, 10), z_grid=(0, 10))
     assert (mesh.origin == np.array([0, 0, 0])).all()
-    assert mesh.r_grid == (0, 10)
-    assert mesh.phi_grid == (0, 2*pi)
-    assert mesh.z_grid == (0, 10)
+    assert (mesh.r_grid == np.array([0, 10])).all()
+    assert (mesh.phi_grid == np.array([0, 2*pi])).all()
+    assert (mesh.z_grid == np.array([0, 10])).all()
 
     # test setting on creation
     mesh = openmc.CylindricalMesh(
@@ -139,7 +143,7 @@ def test_CylindricalMesh_initiation():
     )
     assert (mesh.origin == np.array([1, 2, 3])).all()
     assert (mesh.r_grid == np.array([0., 2.])).all()
-    assert mesh.z_grid == (1, 3)
+    assert (mesh.z_grid == np.array([1, 3])).all()
     assert (mesh.phi_grid == np.array([2, 4])).all()
 
     # test attribute changing
@@ -147,3 +151,7 @@ def test_CylindricalMesh_initiation():
     assert (mesh.r_grid == np.array([0, 10.])).all()
     mesh.z_grid = (0., 4.)
     assert (mesh.z_grid == np.array([0, 4.])).all()
+
+    # waffles and pancakes are unfortunately not valid radii
+    with pytest.raises(TypeError):
+        openmc.SphericalMesh(('🧇', '🥞'))

From 972dd73ae9db8fbacd398c5483aa6326665b2f0a Mon Sep 17 00:00:00 2001
From: John Vincent Cauilan <64677361+johvincau@users.noreply.github.com>
Date: Wed, 27 Sep 2023 06:15:28 -0500
Subject: [PATCH 1955/2654] add cross section data caching (#2706)

---
 .github/workflows/ci.yml | 8 ++++++++
 1 file changed, 8 insertions(+)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index 1a905b3cf..f8824a025 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -127,6 +127,14 @@ jobs:
           echo "$HOME/NJOY2016/build" >> $GITHUB_PATH
           $GITHUB_WORKSPACE/tools/ci/gha-install.sh
 
+      - name: cache-xs
+        uses: actions/cache@v3
+        with:
+          path: |
+            ~/nndc_hdf5
+            ~/endf-b-vii.1
+          key: ${{ runner.os }}-build-xs-cache
+      
       - name: before
         shell: bash
         run: $GITHUB_WORKSPACE/tools/ci/gha-before-script.sh

From d4b989ab7c7643ed0d54fdd73ffe572cf2241754 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Wed, 27 Sep 2023 14:31:04 +0100
Subject: [PATCH 1956/2654] ci badge on readme points to develop status (#2712)

---
 README.md | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/README.md b/README.md
index 561bf4e1a..6539ec3c7 100644
--- a/README.md
+++ b/README.md
@@ -1,7 +1,7 @@
 # OpenMC Monte Carlo Particle Transport Code
 
 [![License](https://img.shields.io/badge/license-MIT-green)](https://docs.openmc.org/en/latest/license.html)
-[![GitHub Actions build status (Linux)](https://github.com/openmc-dev/openmc/workflows/CI/badge.svg?branch=develop)](https://github.com/openmc-dev/openmc/actions?query=workflow%3ACI)
+[![GitHub Actions build status (Linux)](https://github.com/openmc-dev/openmc/actions/workflows/ci.yml/badge.svg?branch=develop)](https://github.com/openmc-dev/openmc/actions/workflows/ci.yml)
 [![Code Coverage](https://coveralls.io/repos/github/openmc-dev/openmc/badge.svg?branch=develop)](https://coveralls.io/github/openmc-dev/openmc?branch=develop)
 [![dockerhub-publish-develop-dagmc](https://github.com/openmc-dev/openmc/workflows/dockerhub-publish-develop-dagmc/badge.svg)](https://github.com/openmc-dev/openmc/actions?query=workflow%3Adockerhub-publish-develop-dagmc)
 [![dockerhub-publish-develop](https://github.com/openmc-dev/openmc/workflows/dockerhub-publish-develop/badge.svg)](https://github.com/openmc-dev/openmc/actions?query=workflow%3Adockerhub-publish-develop)

From f7bb27e0d924d9a6bffdf02cfa2eecc0d8ef194d Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Wed, 27 Sep 2023 13:46:53 -0500
Subject: [PATCH 1957/2654] Making z-grid relative to the mesh origin in
 from_domain. (#2710)

---
 openmc/mesh.py                            | 4 ++++
 tests/unit_tests/test_mesh_from_domain.py | 5 +++--
 2 files changed, 7 insertions(+), 2 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index d683c8808..a655e7a89 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -1439,6 +1439,10 @@ class CylindricalMesh(StructuredMesh):
             num=dimension[2]+1
         )
         origin = (cached_bb.center[0], cached_bb.center[1], z_grid[0])
+
+        # make z-grid relative to the origin
+        z_grid -= origin[2]
+
         mesh = cls(
             r_grid=r_grid,
             z_grid=z_grid,
diff --git a/tests/unit_tests/test_mesh_from_domain.py b/tests/unit_tests/test_mesh_from_domain.py
index c75e8fd07..0cbe413e8 100644
--- a/tests/unit_tests/test_mesh_from_domain.py
+++ b/tests/unit_tests/test_mesh_from_domain.py
@@ -30,7 +30,7 @@ def test_cylindrical_mesh_from_cell():
     assert np.array_equal(mesh.dimension, (2, 4, 3))
     assert np.array_equal(mesh.r_grid, [0., 25., 50.])
     assert np.array_equal(mesh.phi_grid, [0., 0.5*np.pi, np.pi, 1.5*np.pi, 2.*np.pi])
-    assert np.array_equal(mesh.z_grid, [10., 20., 30., 40.])
+    assert np.array_equal(mesh.z_grid, [0., 10., 20., 30.])
     assert np.array_equal(mesh.origin, [0., 0., 10.])
 
     # Cell is not centralized on Z or X axis
@@ -83,7 +83,8 @@ def test_cylindrical_mesh_from_region():
     assert np.array_equal(mesh.dimension, (6, 2, 3))
     assert np.array_equal(mesh.r_grid, [0., 1., 2., 3., 4., 5., 6.])
     assert np.array_equal(mesh.phi_grid, [0., 0.5*np.pi, np.pi])
-    assert np.array_equal(mesh.z_grid, [-30., -10., 10., 30.])
+    assert np.array_equal(mesh.z_grid, [0.0, 20., 40., 60])
+    assert np.array_equal(mesh.origin, (0.0, 0.0, -30.))
 
 
 def test_reg_mesh_from_universe():

From fd9172927c560bdf6f4af717ab0a419392954d7d Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 27 Sep 2023 14:44:37 -0500
Subject: [PATCH 1958/2654] Fix volume calculation IO format docs and
 `sample_external_source` bug (#2713)

---
 docs/source/io_formats/settings.rst | 47 ++++++++++++++++++++++++-----
 src/source.cpp                      |  5 +++
 2 files changed, 44 insertions(+), 8 deletions(-)

diff --git a/docs/source/io_formats/settings.rst b/docs/source/io_formats/settings.rst
index 226e9084e..03abe9a3c 100644
--- a/docs/source/io_formats/settings.rst
+++ b/docs/source/io_formats/settings.rst
@@ -1068,8 +1068,14 @@ The ``<volume_calc>`` element indicates that a stochastic volume calculation
 should be run at the beginning of the simulation. This element has the following
 sub-elements/attributes:
 
-  :cells:
-    The unique IDs of cells for which the volume should be estimated.
+  :domain_type:
+    The type of each domain for the volume calculation ("cell", "material", or
+    "universe").
+
+    *Default*: None
+
+  :domain_ids:
+    The unique IDs of domains for which the volume should be estimated.
 
     *Default*: None
 
@@ -1079,16 +1085,41 @@ sub-elements/attributes:
     *Default*: None
 
   :lower_left:
-     The lower-left Cartesian coordinates of a bounding box that is used to
-     sample points within.
+    The lower-left Cartesian coordinates of a bounding box that is used to
+    sample points within.
 
-     *Default*: None
+    *Default*: None
 
   :upper_right:
-     The upper-right Cartesian coordinates of a bounding box that is used to
-     sample points within.
+    The upper-right Cartesian coordinates of a bounding box that is used to
+    sample points within.
 
-     *Default*: None
+    *Default*: None
+
+  :threshold:
+    Presence of a ``<threshold>`` sub-element indicates that the volume
+    calculation will be halted based on a threshold on the error. It has the
+    following sub-elements/attributes:
+
+    :type:
+      The type of the trigger. Accepted options are "variance", "std_dev",
+      and "rel_err".
+
+      :variance:
+        Variance of the mean, :math:`\sigma^2`
+
+      :std_dev:
+        Standard deviation of the mean, :math:`\sigma`
+
+      :rel_err:
+        Relative error of the mean, :math:`\frac{\sigma}{\mu}`
+
+      *Default*: None
+
+    :threshold:
+      The trigger's convergence criterion for the given type.
+
+      *Default*: None
 
 ----------------------------
 ``<weight_windows>`` Element
diff --git a/src/source.cpp b/src/source.cpp
index 817847b76..3251ca0d0 100644
--- a/src/source.cpp
+++ b/src/source.cpp
@@ -457,6 +457,11 @@ extern "C" int openmc_sample_external_source(
     return OPENMC_E_INVALID_ARGUMENT;
   }
 
+  if (model::external_sources.empty()) {
+    set_errmsg("No external sources have been defined.");
+    return OPENMC_E_OUT_OF_BOUNDS;
+  }
+
   auto sites_array = static_cast<SourceSite*>(sites);
   for (size_t i = 0; i < n; ++i) {
     sites_array[i] = sample_external_source(seed);

From eb3eec8e71b3a5e5b8f3d8f70749d32ac88eed30 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Fri, 29 Sep 2023 16:30:46 +0100
Subject: [PATCH 1959/2654] added padding arg to bounding_region (#2701)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/bounding_box.py                | 28 +++++++++++++++++++++++++++
 openmc/universe.py                    | 25 ++++++++++++++++--------
 tests/unit_tests/dagmc/test_bounds.py | 15 ++++++++++++++
 3 files changed, 60 insertions(+), 8 deletions(-)

diff --git a/openmc/bounding_box.py b/openmc/bounding_box.py
index 2c6da10c0..4e1994283 100644
--- a/openmc/bounding_box.py
+++ b/openmc/bounding_box.py
@@ -1,3 +1,4 @@
+from __future__ import annotations
 from typing import Iterable
 
 import numpy as np
@@ -87,3 +88,30 @@ class BoundingBox(tuple):
     @property
     def width(self):
         return self.upper_right - self.lower_left
+
+    def extend(self, padding_distance: float) -> BoundingBox:
+        """Returns an extended bounding box
+
+        Parameters
+        ----------
+        padding_distance : float
+            The distance to enlarge the bounding box by
+
+        Returns
+        -------
+        An enlarged bounding box
+
+        """
+        return BoundingBox(np.array(
+            [
+                self[0][0] - padding_distance,
+                self[0][1] - padding_distance,
+                self[0][2] - padding_distance
+            ]
+        ), np.array(
+            [
+                self[1][0] + padding_distance,
+                self[1][1] + padding_distance,
+                self[1][2] + padding_distance
+            ]
+        ))
diff --git a/openmc/universe.py b/openmc/universe.py
index 7c09774b6..cfa6634f8 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -837,7 +837,7 @@ class DAGMCUniverse(UniverseBase):
             coords = dagmc_file['tstt']['nodes']['coordinates'][()]
             lower_left_corner = coords.min(axis=0)
             upper_right_corner = coords.max(axis=0)
-            return (lower_left_corner, upper_right_corner)
+            return openmc.BoundingBox(lower_left_corner, upper_right_corner)
 
     @property
     def filename(self):
@@ -950,7 +950,13 @@ class DAGMCUniverse(UniverseBase):
         dagmc_element.set('filename', str(self.filename))
         xml_element.append(dagmc_element)
 
-    def bounding_region(self, bounded_type='box', boundary_type='vacuum', starting_id=10000):
+    def bounding_region(
+            self,
+            bounded_type: str = 'box',
+            boundary_type: str = 'vacuum',
+            starting_id: int = 10000,
+            padding_distance: float = 0.
+        ):
         """Creates a either a spherical or box shaped bounding region around
         the DAGMC geometry.
 
@@ -970,6 +976,10 @@ class DAGMCUniverse(UniverseBase):
             Starting ID of the surface(s) used in the region. For bounded_type
             'box', the next 5 IDs will also be used. Defaults to 10000 to reduce
             the chance of an overlap of surface IDs with the DAGMC geometry.
+        padding_distance : float
+            Distance between the bounding region surfaces and the minimal
+            bounding box. Allows for the region to be larger than the DAGMC
+            geometry.
 
         Returns
         -------
@@ -983,16 +993,15 @@ class DAGMCUniverse(UniverseBase):
         check_type('bounded type', bounded_type, str)
         check_value('bounded type', bounded_type, ('box', 'sphere'))
 
-        bbox = self.bounding_box
+        bbox = self.bounding_box.extend(padding_distance)
 
         if bounded_type == 'sphere':
-            bbox_center = (bbox[0] + bbox[1])/2
-            radius = np.linalg.norm(np.asarray(bbox))
+            radius = np.linalg.norm(bbox.upper_right - bbox.center)
             bounding_surface = openmc.Sphere(
                 surface_id=starting_id,
-                x0=bbox_center[0],
-                y0=bbox_center[1],
-                z0=bbox_center[2],
+                x0=bbox.center[0],
+                y0=bbox.center[1],
+                z0=bbox.center[2],
                 boundary_type=boundary_type,
                 r=radius,
             )
diff --git a/tests/unit_tests/dagmc/test_bounds.py b/tests/unit_tests/dagmc/test_bounds.py
index d2458195a..35e1dd340 100644
--- a/tests/unit_tests/dagmc/test_bounds.py
+++ b/tests/unit_tests/dagmc/test_bounds.py
@@ -23,23 +23,38 @@ def test_bounding_region(request):
     assert isinstance(region, openmc.Region)
     assert len(region) == 6
     assert region[0].surface.type == "x-plane"
+    assert region[0].surface.x0 == -25.
     assert region[1].surface.type == "x-plane"
+    assert region[1].surface.x0 == 25.
     assert region[2].surface.type == "y-plane"
+    assert region[2].surface.y0 == -25.
     assert region[3].surface.type == "y-plane"
+    assert region[3].surface.y0 == 25.
     assert region[4].surface.type == "z-plane"
+    assert region[4].surface.z0 == -25.
     assert region[5].surface.type == "z-plane"
+    assert region[5].surface.z0 == 25.
     assert region[0].surface.boundary_type == "vacuum"
     assert region[1].surface.boundary_type == "vacuum"
     assert region[2].surface.boundary_type == "vacuum"
     assert region[3].surface.boundary_type == "vacuum"
     assert region[4].surface.boundary_type == "vacuum"
     assert region[5].surface.boundary_type == "vacuum"
+    region = u.bounding_region(padding_distance=5)
+    assert region[0].surface.x0 == -30.
+    assert region[1].surface.x0 == 30.
+    assert region[2].surface.y0 == -30.
+    assert region[3].surface.y0 == 30.
+    assert region[4].surface.z0 == -30.
+    assert region[5].surface.z0 == 30.
 
     region = u.bounding_region(bounded_type="sphere", boundary_type="reflective")
     assert isinstance(region, openmc.Region)
     assert isinstance(region, openmc.Halfspace)
     assert region.surface.type == "sphere"
     assert region.surface.boundary_type == "reflective"
+    larger_region = u.bounding_region(bounded_type="sphere", padding_distance=10)
+    assert larger_region.surface.r > region.surface.r
 
 
 def test_bounded_universe(request):

From 61c43527e6a9f7af6d309d050e7dcf906a7013a2 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 29 Sep 2023 20:13:19 -0500
Subject: [PATCH 1960/2654] Clip low-importance points from discrete
 distributions (#2715)

Co-authored-by: Ethan Peterson <ethan.peterson@mit.edu>
---
 openmc/data/decay.py              |  2 +-
 openmc/geometry.py                |  5 +-
 openmc/material.py                | 69 ++++++++++++++++++----
 openmc/model/model.py             |  1 +
 openmc/stats/univariate.py        | 95 ++++++++++++++++++++++++++++++-
 tests/unit_tests/test_material.py | 18 +++++-
 tests/unit_tests/test_stats.py    | 34 +++++++++++
 7 files changed, 203 insertions(+), 21 deletions(-)

diff --git a/openmc/data/decay.py b/openmc/data/decay.py
index 4f9d6f460..7b8993a28 100644
--- a/openmc/data/decay.py
+++ b/openmc/data/decay.py
@@ -599,7 +599,7 @@ def decay_photon_energy(nuclide: str) -> Optional[Univariate]:
     openmc.stats.Univariate or None
         Distribution of energies in [eV] of photons emitted from decay, or None
         if no photon source exists. Note that the probabilities represent
-        intensities, given as [decay/sec].
+        intensities, given as [Bq].
     """
     if not _DECAY_PHOTON_ENERGY:
         chain_file = openmc.config.get('chain_file')
diff --git a/openmc/geometry.py b/openmc/geometry.py
index 82a3fe61c..b2b679de3 100644
--- a/openmc/geometry.py
+++ b/openmc/geometry.py
@@ -764,8 +764,9 @@ class Geometry:
             Assigns colors to specific materials or cells. Keys are instances of
             :class:`Cell` or :class:`Material` and values are RGB 3-tuples, RGBA
             4-tuples, or strings indicating SVG color names. Red, green, blue,
-            and alpha should all be floats in the range [0.0, 1.0], for example:
-            .. code-block:: python
+            and alpha should all be floats in the range [0.0, 1.0], for
+            example::
+
                # Make water blue
                water = openmc.Cell(fill=h2o)
                universe.plot(..., colors={water: (0., 0., 1.))
diff --git a/openmc/material.py b/openmc/material.py
index 4aa5c9f0f..d8bcc209c 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -19,7 +19,7 @@ import openmc.checkvalue as cv
 from ._xml import clean_indentation, reorder_attributes
 from .mixin import IDManagerMixin
 from openmc.checkvalue import PathLike
-from openmc.stats import Univariate
+from openmc.stats import Univariate, Discrete, Mixture
 
 
 # Units for density supported by OpenMC
@@ -93,13 +93,6 @@ class Material(IDManagerMixin):
     fissionable_mass : float
         Mass of fissionable nuclides in the material in [g]. Requires that the
         :attr:`volume` attribute is set.
-    decay_photon_energy : openmc.stats.Univariate or None
-        Energy distribution of photons emitted from decay of unstable nuclides
-        within the material, or None if no photon source exists. The integral of
-        this distribution is the total intensity of the photon source in
-        [decay/sec].
-
-        .. versionadded:: 0.13.2
     ncrystal_cfg : str
         NCrystal configuration string
 
@@ -282,15 +275,67 @@ class Material(IDManagerMixin):
 
     @property
     def decay_photon_energy(self) -> Optional[Univariate]:
-        atoms = self.get_nuclide_atoms()
+        warnings.warn(
+            "The 'decay_photon_energy' property has been replaced by the "
+            "get_decay_photon_energy() method and will be removed in a future "
+            "version.", FutureWarning)
+        return self.get_decay_photon_energy(0.0)
+
+    def get_decay_photon_energy(
+            self,
+            clip_tolerance: float = 1e-6,
+            units: str = 'Bq',
+            volume: Optional[float] = None
+        ) -> Optional[Univariate]:
+        r"""Return energy distribution of decay photons from unstable nuclides.
+
+        .. versionadded:: 0.13.4
+
+        Parameters
+        ----------
+        clip_tolerance : float
+            Maximum fraction of :math:`\sum_i x_i p_i` for discrete
+            distributions that will be discarded.
+        units : {'Bq', 'Bq/g', 'Bq/cm3'}
+            Specifies the units on the integral of the distribution.
+        volume : float, optional
+            Volume of the material. If not passed, defaults to using the
+            :attr:`Material.volume` attribute.
+
+        Returns
+        -------
+        Decay photon energy distribution. The integral of this distribution is
+        the total intensity of the photon source in the requested units.
+
+        """
+        cv.check_value('units', units, {'Bq', 'Bq/g', 'Bq/cm3'})
+        if units == 'Bq':
+            multiplier = volume if volume is not None else self.volume
+            if multiplier is None:
+                raise ValueError("volume must be specified if units='Bq'")
+        elif units == 'Bq/cm3':
+            multiplier = 1
+        elif units == 'Bq/g':
+            multiplier = 1.0 / self.get_mass_density()
+
         dists = []
         probs = []
-        for nuc, num_atoms in atoms.items():
+        for nuc, atoms_per_bcm in self.get_nuclide_atom_densities().items():
             source_per_atom = openmc.data.decay_photon_energy(nuc)
             if source_per_atom is not None:
                 dists.append(source_per_atom)
-                probs.append(num_atoms)
-        return openmc.data.combine_distributions(dists, probs) if dists else None
+                probs.append(1e24 * atoms_per_bcm * multiplier)
+
+        # If no photon sources, exit early
+        if not dists:
+            return None
+
+        # Get combined distribution, clip low-intensity values in discrete spectra
+        combined = openmc.data.combine_distributions(dists, probs)
+        if isinstance(combined, (Discrete, Mixture)):
+            combined.clip(clip_tolerance, inplace=True)
+
+        return combined
 
     @classmethod
     def from_hdf5(cls, group: h5py.Group) -> Material:
diff --git a/openmc/model/model.py b/openmc/model/model.py
index 7f9cbdfbe..2649725d2 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -609,6 +609,7 @@ class Model:
         this method creates the XML files and runs OpenMC via a system call. In
         both cases this method returns the path to the last statepoint file
         generated.
+
         .. versionchanged:: 0.12
             Instead of returning the final k-effective value, this function now
             returns the path to the final statepoint written.
diff --git a/openmc/stats/univariate.py b/openmc/stats/univariate.py
index ff1af2d7b..01c55239d 100644
--- a/openmc/stats/univariate.py
+++ b/openmc/stats/univariate.py
@@ -1,3 +1,4 @@
+from __future__ import annotations
 import math
 import typing
 from abc import ABC, abstractmethod
@@ -208,7 +209,7 @@ class Discrete(Univariate):
     @classmethod
     def merge(
         cls,
-        dists: typing.Sequence['openmc.stats.Discrete'],
+        dists: typing.Sequence[Discrete],
         probs: typing.Sequence[int]
     ):
         """Merge multiple discrete distributions into a single distribution
@@ -256,6 +257,58 @@ class Discrete(Univariate):
         """
         return np.sum(self.p)
 
+    def clip(self, tolerance: float = 1e-6, inplace: bool = False) -> Discrete:
+        r"""Remove low-importance points from discrete distribution.
+
+        Given a probability mass function :math:`p(x)` with :math:`\{x_1, x_2,
+        x_3, \dots\}` the possible values of the random variable with
+        corresponding probabilities :math:`\{p_1, p_2, p_3, \dots\}`, this
+        function will remove any low-importance points such that :math:`\sum_i
+        x_i p_i` is preserved to within some threshold.
+
+        .. versionadded:: 0.13.4
+
+        Parameters
+        ----------
+        tolerance : float
+            Maximum fraction of :math:`\sum_i x_i p_i` that will be discarded.
+        inplace : bool
+            Whether to modify the current object in-place or return a new one.
+
+        Returns
+        -------
+        Discrete distribution with low-importance points removed
+
+        """
+        # Determine (reversed) sorted order of probabilities
+        intensity = self.p * self.x
+        index_sort = np.argsort(intensity)[::-1]
+
+        # Get probabilities in above order
+        sorted_intensity = intensity[index_sort]
+
+        # Determine cumulative sum of probabilities
+        cumsum = np.cumsum(sorted_intensity)
+        cumsum /= cumsum[-1]
+
+        # Find index which satisfies cutoff
+        index_cutoff = np.searchsorted(cumsum, 1.0 - tolerance)
+
+        # Now get indices up to cutoff
+        new_indices = index_sort[:index_cutoff + 1]
+        new_indices.sort()
+
+        # Create new discrete distribution
+        if inplace:
+            self.x = self.x[new_indices]
+            self.p = self.p[new_indices]
+            return self
+        else:
+            new_x = self.x[new_indices]
+            new_p = self.p[new_indices]
+            return type(self)(new_x, new_p)
+
+
 class Uniform(Univariate):
     """Distribution with constant probability over a finite interval [a,b]
 
@@ -1094,7 +1147,7 @@ class Mixture(Univariate):
     def __init__(
         self,
         probability: typing.Sequence[float],
-        distribution: typing.Sequence['openmc.Univariate']
+        distribution: typing.Sequence[Univariate]
     ):
         self.probability = probability
         self.distribution = distribution
@@ -1219,9 +1272,45 @@ class Mixture(Univariate):
             for p, dist in zip(self.probability, self.distribution)
         ])
 
+    def clip(self, tolerance: float = 1e-6, inplace: bool = False) -> Mixture:
+        r"""Remove low-importance points from contained discrete distributions.
+
+        Given a probability mass function :math:`p(x)` with :math:`\{x_1, x_2,
+        x_3, \dots\}` the possible values of the random variable with
+        corresponding probabilities :math:`\{p_1, p_2, p_3, \dots\}`, this
+        function will remove any low-importance points such that :math:`\sum_i
+        x_i p_i` is preserved to within some threshold.
+
+        .. versionadded:: 0.13.4
+
+        Parameters
+        ----------
+        tolerance : float
+            Maximum fraction of :math:`\sum_i x_i p_i` that will be discarded
+            for any discrete distributions within the mixture distribution.
+        inplace : bool
+            Whether to modify the current object in-place or return a new one.
+
+        Returns
+        -------
+        Discrete distribution with low-importance points removed
+
+        """
+        if inplace:
+            for dist in self.distribution:
+                if isinstance(dist, Discrete):
+                    dist.clip(tolerance, inplace=True)
+            return self
+        else:
+            distribution = [
+                dist.clip(tolerance) if isinstance(dist, Discrete) else dist
+                for dist in self.distribution
+            ]
+            return type(self)(self.probability, distribution)
+
 
 def combine_distributions(
-    dists: typing.Sequence['openmc.Univariate'],
+    dists: typing.Sequence[Univariate],
     probs: typing.Sequence[float]
 ):
     """Combine distributions with specified probabilities
diff --git a/tests/unit_tests/test_material.py b/tests/unit_tests/test_material.py
index bf6b19ee5..44c0730fb 100644
--- a/tests/unit_tests/test_material.py
+++ b/tests/unit_tests/test_material.py
@@ -626,13 +626,19 @@ def test_decay_photon_energy():
     m.volume = 1.0
 
     # Get decay photon source and make sure it's the right type
-    src = m.decay_photon_energy
+    src = m.get_decay_photon_energy()
     assert isinstance(src, openmc.stats.Discrete)
 
+    # Make sure units/volume work as expected
+    src_v2 = m.get_decay_photon_energy(volume=2.0)
+    assert src.p * 2.0 == pytest.approx(src_v2.p)
+    src_per_cm3 = m.get_decay_photon_energy(units='Bq/cm3', volume=100.0)
+    assert (src.p == src_per_cm3.p).all()
+
     # If we add Xe135 (which has a tabular distribution), the photon source
     # should be a mixture distribution
     m.add_nuclide('Xe135', 1.0e-24)
-    src = m.decay_photon_energy
+    src = m.get_decay_photon_energy()
     assert isinstance(src, openmc.stats.Mixture)
 
     # With a single atom of each, the intensity of the photon source should be
@@ -640,6 +646,12 @@ def test_decay_photon_energy():
     def intensity(src):
         return src.integral() if src is not None else 0.0
 
+    assert src.integral() == pytest.approx(sum(
+        intensity(decay_photon_energy(nuc)) for nuc in m.get_nuclides()
+    ), rel=1e-3)
+
+    # When the clipping threshold is zero, the intensities should match exactly
+    src = m.get_decay_photon_energy(0.0)
     assert src.integral() == pytest.approx(sum(
         intensity(decay_photon_energy(nuc)) for nuc in m.get_nuclides()
     ))
@@ -648,4 +660,4 @@ def test_decay_photon_energy():
     stable = openmc.Material()
     stable.add_nuclide('Gd156', 1.0)
     stable.volume = 1.0
-    assert stable.decay_photon_energy is None
+    assert stable.get_decay_photon_energy() is None
diff --git a/tests/unit_tests/test_stats.py b/tests/unit_tests/test_stats.py
index ea8898c1a..8438535ff 100644
--- a/tests/unit_tests/test_stats.py
+++ b/tests/unit_tests/test_stats.py
@@ -74,6 +74,22 @@ def test_merge_discrete():
     assert triple.integral() == pytest.approx(6.0)
 
 
+def test_clip_discrete():
+    # Create discrete distribution with two points that are not important, one
+    # because the x value is very small, and one because the p value is very
+    # small
+    d = openmc.stats.Discrete([1e-8, 1.0, 2.0, 1000.0], [3.0, 2.0, 5.0, 1e-12])
+
+    # Clipping the distribution should result in two points
+    d_clip = d.clip(1e-6)
+    assert d_clip.x.size == 2
+    assert d_clip.p.size == 2
+
+    # Make sure inplace returns same object
+    d_same = d.clip(1e-6, inplace=True)
+    assert d_same is d
+
+
 def test_uniform():
     a, b = 10.0, 20.0
     d = openmc.stats.Uniform(a, b)
@@ -232,6 +248,24 @@ def test_mixture():
     assert len(d) == 4
 
 
+def test_mixture_clip():
+    # Create mixture distribution containing a discrete distribution with two
+    # points that are not important, one because the x value is very small, and
+    # one because the p value is very small
+    d1 = openmc.stats.Discrete([1e-8, 1.0, 2.0, 1000.0], [3.0, 2.0, 5.0, 1e-12])
+    d2 = openmc.stats.Uniform(0, 5)
+    mix = openmc.stats.Mixture([0.5, 0.5], [d1, d2])
+
+    # Clipping should reduce the contained discrete distribution to 2 points
+    mix_clip = mix.clip(1e-6)
+    assert mix_clip.distribution[0].x.size == 2
+    assert mix_clip.distribution[0].p.size == 2
+
+    # Make sure inplace returns same object
+    mix_same = mix.clip(1e-6, inplace=True)
+    assert mix_same is mix
+
+
 def test_polar_azimuthal():
     # default polar-azimuthal should be uniform in mu and phi
     d = openmc.stats.PolarAzimuthal()

From ca49d8167fb14417313a04223eaeaeb0e299fa19 Mon Sep 17 00:00:00 2001
From: Baptiste Mouginot <15145274+bam241@users.noreply.github.com>
Date: Sat, 7 Oct 2023 16:11:03 +0200
Subject: [PATCH 1961/2654] disable cross section loading on plot mode (#2690)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 src/initialize.cpp |  8 ++++++--
 src/material.cpp   | 32 +++++++++++++++++++-------------
 2 files changed, 25 insertions(+), 15 deletions(-)

diff --git a/src/initialize.cpp b/src/initialize.cpp
index d667f4b03..2f448e804 100644
--- a/src/initialize.cpp
+++ b/src/initialize.cpp
@@ -372,7 +372,9 @@ bool read_model_xml()
       "No <materials> node present in the {} file.", model_filename));
   }
 
-  read_cross_sections_xml(root.child("materials"));
+  if (settings::run_mode != RunMode::PLOTTING) {
+    read_cross_sections_xml(root.child("materials"));
+  }
   read_materials_xml(root.child("materials"));
 
   // Read geometry
@@ -413,7 +415,9 @@ bool read_model_xml()
 void read_separate_xml_files()
 {
   read_settings_xml();
-  read_cross_sections_xml();
+  if (settings::run_mode != RunMode::PLOTTING) {
+    read_cross_sections_xml();
+  }
   read_materials_xml();
   read_geometry_xml();
 
diff --git a/src/material.cpp b/src/material.cpp
index 610b54add..7466f1981 100644
--- a/src/material.cpp
+++ b/src/material.cpp
@@ -224,11 +224,13 @@ Material::Material(pugi::xml_node node)
 
     // Check that this nuclide is listed in the nuclear data library
     // (cross_sections.xml for CE and the MGXS HDF5 for MG)
-    LibraryKey key {Library::Type::neutron, name};
-    if (data::library_map.find(key) == data::library_map.end()) {
-      fatal_error("Could not find nuclide " + name +
-                  " in the "
-                  "nuclear data library.");
+    if (settings::run_mode != RunMode::PLOTTING) {
+      LibraryKey key {Library::Type::neutron, name};
+      if (data::library_map.find(key) == data::library_map.end()) {
+        fatal_error("Could not find nuclide " + name +
+                    " in the "
+                    "nuclear data library.");
+      }
     }
 
     // If this nuclide hasn't been encountered yet, we need to add its name
@@ -247,10 +249,12 @@ Material::Material(pugi::xml_node node)
       std::string element = to_element(name);
 
       // Make sure photon cross section data is available
-      LibraryKey key {Library::Type::photon, element};
-      if (data::library_map.find(key) == data::library_map.end()) {
-        fatal_error(
-          "Could not find element " + element + " in cross_sections.xml.");
+      if (settings::run_mode != RunMode::PLOTTING) {
+        LibraryKey key {Library::Type::photon, element};
+        if (data::library_map.find(key) == data::library_map.end()) {
+          fatal_error(
+            "Could not find element " + element + " in cross_sections.xml.");
+        }
       }
 
       if (data::element_map.find(element) == data::element_map.end()) {
@@ -324,10 +328,12 @@ Material::Material(pugi::xml_node node)
 
       // Check that the thermal scattering table is listed in the
       // cross_sections.xml file
-      LibraryKey key {Library::Type::thermal, name};
-      if (data::library_map.find(key) == data::library_map.end()) {
-        fatal_error("Could not find thermal scattering data " + name +
-                    " in cross_sections.xml file.");
+      if (settings::run_mode != RunMode::PLOTTING) {
+        LibraryKey key {Library::Type::thermal, name};
+        if (data::library_map.find(key) == data::library_map.end()) {
+          fatal_error("Could not find thermal scattering data " + name +
+                      " in cross_sections.xml file.");
+        }
       }
 
       // Determine index of thermal scattering data in global

From 00104ce95427049a79cc515b9c8050877434658b Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 12 Oct 2023 19:18:26 -0500
Subject: [PATCH 1962/2654] Correct `openmc.lib` wrapper for
 `evaluate_legendre`. (#2729)

---
 openmc/lib/math.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/lib/math.py b/openmc/lib/math.py
index 0f61450bf..029f1c4c9 100644
--- a/openmc/lib/math.py
+++ b/openmc/lib/math.py
@@ -103,7 +103,7 @@ def evaluate_legendre(data, x):
     """
 
     data_arr = np.array(data, dtype=np.float64)
-    return _dll.evaluate_legendre(len(data),
+    return _dll.evaluate_legendre(len(data)-1,
                                   data_arr.ctypes.data_as(POINTER(c_double)), x)
 
 

From 03c1c6a1f31e5401dc8939543a20829456cf0a57 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Tue, 17 Oct 2023 13:14:55 +0100
Subject: [PATCH 1963/2654] moved diff_burnable_mat to model (#2718)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/deplete/coupled_operator.py | 37 ++--------------------
 openmc/model/model.py              | 51 ++++++++++++++++++++++++++++++
 2 files changed, 53 insertions(+), 35 deletions(-)

diff --git a/openmc/deplete/coupled_operator.py b/openmc/deplete/coupled_operator.py
index 86b3f10a3..9e6b5fcd3 100644
--- a/openmc/deplete/coupled_operator.py
+++ b/openmc/deplete/coupled_operator.py
@@ -278,41 +278,8 @@ class CoupledOperator(OpenMCOperator):
     def _differentiate_burnable_mats(self):
         """Assign distribmats for each burnable material"""
 
-        # Count the number of instances for each cell and material
-        self.geometry.determine_paths(instances_only=True)
-
-        # Extract all burnable materials which have multiple instances
-        distribmats = set(
-            [mat for mat in self.materials
-             if mat.depletable and mat.num_instances > 1])
-
-        if self.diff_volume_method == 'divide equally':
-            for mat in distribmats:
-                if mat.volume is None:
-                    raise RuntimeError("Volume not specified for depletable "
-                                       f"material with ID={mat.id}.")
-                mat.volume /= mat.num_instances
-
-        if distribmats:
-            # Assign distribmats to cells
-            for cell in self.geometry.get_all_material_cells().values():
-                if cell.fill in distribmats:
-                    mat = cell.fill
-                    if self.diff_volume_method == 'divide equally':
-                        cell.fill = [mat.clone() for _ in range(cell.num_instances)]
-                    elif self.diff_volume_method == 'match cell':
-                        for _ in range(cell.num_instances):
-                            cell.fill = mat.clone()
-                            if not cell.volume:
-                                raise ValueError(
-                                    f"Volume of cell ID={cell.id} not specified. "
-                                    "Set volumes of cells prior to using "
-                                    "diff_volume_method='match cell'."
-                                )
-                            cell.fill.volume = cell.volume
-
-        self.materials = openmc.Materials(
-            self.model.geometry.get_all_materials().values()
+        self.model.differentiate_depletable_mats(
+            diff_volume_method=self.diff_volume_method
         )
 
     def _load_previous_results(self):
diff --git a/openmc/model/model.py b/openmc/model/model.py
index 2649725d2..2381fb8ab 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -1015,3 +1015,54 @@ class Model:
         """
 
         self._change_py_lib_attribs(names_or_ids, volume, 'material', 'volume')
+
+    def differentiate_depletable_mats(self, diff_volume_method: str):
+        """Assign distribmats for each depletable material
+
+        .. versionadded:: 0.13.4
+
+        Parameters
+        ----------
+        diff_volume_method : str
+            Specifies how the volumes of the new materials should be found.
+            Default is to 'divide equally' which divides the original material
+            volume equally between the new materials, 'match cell' sets the
+            volume of the material to volume of the cell they fill.
+        """
+        # Count the number of instances for each cell and material
+        self.geometry.determine_paths(instances_only=True)
+
+        # Extract all depletable materials which have multiple instances
+        distribmats = set(
+            [mat for mat in self.materials
+                if mat.depletable and mat.num_instances > 1])
+
+        if diff_volume_method == 'divide equally':
+            for mat in distribmats:
+                if mat.volume is None:
+                    raise RuntimeError("Volume not specified for depletable "
+                                        f"material with ID={mat.id}.")
+                mat.volume /= mat.num_instances
+
+        if distribmats:
+            # Assign distribmats to cells
+            for cell in self.geometry.get_all_material_cells().values():
+                if cell.fill in distribmats:
+                    mat = cell.fill
+                    if diff_volume_method == 'divide equally':
+                        cell.fill = [mat.clone() for _ in range(cell.num_instances)]
+                    elif diff_volume_method == 'match cell':
+                        for _ in range(cell.num_instances):
+                            cell.fill = mat.clone()
+                            if not cell.volume:
+                                raise ValueError(
+                                    f"Volume of cell ID={cell.id} not specified. "
+                                    "Set volumes of cells prior to using "
+                                    "diff_volume_method='match cell'."
+                                )
+                            cell.fill.volume = cell.volume
+
+        if self.materials is not None:
+            self.materials = openmc.Materials(
+                self.geometry.get_all_materials().values()
+            )

From 4d3a198c522a10807ccee732c2f7433b8780a2fb Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Tue, 17 Oct 2023 10:21:57 -0500
Subject: [PATCH 1964/2654] Updates to mesh vertices and centroids (#2711)

---
 openmc/mesh.py                                | 88 ++++++++++++-------
 .../unstructured_mesh/test.py                 |  3 +-
 2 files changed, 59 insertions(+), 32 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index a655e7a89..8995379df 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -170,7 +170,10 @@ class StructuredMesh(MeshBase):
 
     @property
     def vertices(self):
-        """Return coordinates of mesh vertices.
+        """Return coordinates of mesh vertices in Cartesian coordinates. Also
+           see :meth:`CylindricalMesh.cylindrical_vertices` and
+           :meth:`SphericalMesh.spherical_vertices` for coordinates in other coordinate
+           systems.
 
         Returns
         -------
@@ -346,7 +349,7 @@ class StructuredMesh(MeshBase):
         import vtk
         from vtk.util import numpy_support as nps
 
-        vertices = self.cartesian_vertices.T.reshape(-1, 3)
+        vertices = self.vertices.T.reshape(-1, 3)
 
         vtkPts = vtk.vtkPoints()
         vtkPts.SetData(nps.numpy_to_vtk(vertices, deep=True))
@@ -368,7 +371,7 @@ class StructuredMesh(MeshBase):
         import vtk
         from vtk.util import numpy_support as nps
 
-        corner_vertices = self.cartesian_vertices.T.reshape(-1, 3)
+        corner_vertices = self.vertices.T.reshape(-1, 3)
 
         vtkPts = vtk.vtkPoints()
         vtk_grid = vtk.vtkUnstructuredGrid()
@@ -599,12 +602,6 @@ class RegularMesh(StructuredMesh):
             self._upper_right = None
             warnings.warn("Unsetting upper_right attribute.")
 
-    @property
-    def cartesian_vertices(self):
-        """Returns vertices in cartesian coordinates. Identical to ``vertices`` for RegularMesh and RectilinearMesh
-        """
-        return self.vertices
-
     @property
     def volumes(self):
         """Return Volumes for every mesh cell
@@ -1060,12 +1057,6 @@ class RectilinearMesh(StructuredMesh):
     def _grids(self):
         return (self.x_grid, self.y_grid, self.z_grid)
 
-    @property
-    def cartesian_vertices(self):
-        """Returns vertices in cartesian coordiantes. Identical to ``vertices`` for RegularMesh and RectilinearMesh
-        """
-        return self.vertices
-
     @property
     def volumes(self):
         """Return Volumes for every mesh cell
@@ -1527,8 +1518,26 @@ class CylindricalMesh(StructuredMesh):
         return np.multiply.outer(np.outer(V_r, V_p), V_z)
 
     @property
-    def cartesian_vertices(self):
-        return self._convert_to_cartesian(self.vertices, self.origin)
+    def vertices(self):
+        warnings.warn('Cartesian coordinates are returned from this property as of version 0.13.4')
+        return self._convert_to_cartesian(self.cylindrical_vertices, self.origin)
+
+    @property
+    def cylindrical_vertices(self):
+        """Returns vertices of the mesh in cylindrical coordinates.
+        """
+        return super().vertices
+
+    @property
+    def centroids(self):
+        warnings.warn('Cartesian coordinates are returned from this property as of version 0.13.4')
+        return self._convert_to_cartesian(self.cylindrical_centroids, self.origin)
+
+    @property
+    def cylindrical_centroids(self):
+        """Returns centroids of the mesh in cylindrical coordinates.
+        """
+        return super().centroids
 
     @staticmethod
     def _convert_to_cartesian(arr, origin: Sequence[float]):
@@ -1804,8 +1813,27 @@ class SphericalMesh(StructuredMesh):
         return np.multiply.outer(np.outer(V_r, V_t), V_p)
 
     @property
-    def cartesian_vertices(self):
-        return self._convert_to_cartesian(self.vertices, self.origin)
+    def vertices(self):
+        warnings.warn('Cartesian coordinates are returned from this property as of version 0.13.4')
+        return self._convert_to_cartesian(self.spherical_vertices, self.origin)
+
+    @property
+    def spherical_vertices(self):
+        """Returns vertices of the mesh in cylindrical coordinates.
+        """
+        return super().vertices
+
+    @property
+    def centroids(self):
+        warnings.warn('Cartesian coordinates are returned from this property as of version 0.13.4')
+        return self._convert_to_cartesian(self.spherical_centroids, self.origin)
+
+    @property
+    def spherical_centroids(self):
+        """Returns centroids of the mesh in cylindrical coordinates.
+        """
+        return super().centroids
+
 
     @staticmethod
     def _convert_to_cartesian(arr, origin: Sequence[float]):
@@ -1861,14 +1889,14 @@ class UnstructuredMesh(MeshBase):
     volumes : Iterable of float
         Volumes of the unstructured mesh elements
     centroids : numpy.ndarray
-        Centroids of the mesh elements with array shape (n_elements, 3)
+        Centroids of the mesh elements with array shape (3, n_elements)
 
     vertices : numpy.ndarray
-        Coordinates of the mesh vertices with array shape (n_elements, 3)
+        Coordinates of the mesh vertices with array shape (3, n_elements)
 
         .. versionadded:: 0.13.1
     connectivity : numpy.ndarray
-        Connectivity of the elements with array shape (n_elements, 8)
+        Connectivity of the elements with array shape (8, n_elements)
 
         .. versionadded:: 0.13.1
     element_types : Iterable of integers
@@ -1955,11 +1983,11 @@ class UnstructuredMesh(MeshBase):
 
     @property
     def vertices(self):
-        return self._vertices
+        return self._vertices.T
 
     @property
     def connectivity(self):
-        return self._connectivity
+        return self._connectivity.T
 
     @property
     def element_types(self):
@@ -1967,7 +1995,7 @@ class UnstructuredMesh(MeshBase):
 
     @property
     def centroids(self):
-        return np.array([self.centroid(i) for i in range(self.n_elements)])
+        return np.array([self.centroid(i) for i in range(self.n_elements)]).T
 
     @property
     def n_elements(self):
@@ -2023,11 +2051,11 @@ class UnstructuredMesh(MeshBase):
             x, y, z values of the element centroid
 
         """
-        conn = self.connectivity[bin]
+        conn = self.connectivity[:, bin]
         # remove invalid connectivity values
         conn = conn[conn >= 0]
-        coords = self.vertices[conn]
-        return coords.mean(axis=0)
+        coords = self.vertices[:, conn]
+        return coords.mean(axis=1)
 
     def write_vtk_mesh(self, **kwargs):
         """Map data to unstructured VTK mesh elements.
@@ -2090,12 +2118,12 @@ class UnstructuredMesh(MeshBase):
         grid = vtk.vtkUnstructuredGrid()
 
         vtk_pnts = vtk.vtkPoints()
-        vtk_pnts.SetData(nps.numpy_to_vtk(self.vertices))
+        vtk_pnts.SetData(nps.numpy_to_vtk(self.vertices.T))
         grid.SetPoints(vtk_pnts)
 
         n_skipped = 0
         elems = []
-        for elem_type, conn in zip(self.element_types, self.connectivity):
+        for elem_type, conn in zip(self.element_types, self.connectivity.T):
             if elem_type == self._LINEAR_TET:
                 elem = vtk.vtkTetra()
             elif elem_type == self._LINEAR_HEX:
diff --git a/tests/regression_tests/unstructured_mesh/test.py b/tests/regression_tests/unstructured_mesh/test.py
index 3c41ce78c..7c7961928 100644
--- a/tests/regression_tests/unstructured_mesh/test.py
+++ b/tests/regression_tests/unstructured_mesh/test.py
@@ -54,7 +54,7 @@ class UnstructuredMeshTest(PyAPITestHarness):
                 exp_vertex = (-10.0, -10.0, 10.0)
                 exp_centroid = (-9.0, -9.0, 9.0)
 
-            np.testing.assert_array_equal(umesh.vertices[0], exp_vertex)
+            np.testing.assert_array_equal(umesh.vertices[:, 0], exp_vertex)
             np.testing.assert_array_equal(umesh.centroid(0), exp_centroid)
 
             # loop over the tallies and get data
@@ -322,4 +322,3 @@ def test_unstructured_mesh_hexes(model):
     harness.ELEM_PER_VOXEL = 1
 
     harness.main()
-

From bd1c2286f8b569bfc863a3da3c67894dcc22df62 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Tue, 17 Oct 2023 12:51:05 -0500
Subject: [PATCH 1965/2654] Make BoundingBox a mutable type and add convenience
 methods. (#2717)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 .github/workflows/ci.yml              |   2 +-
 openmc/bounding_box.py                | 110 ++++++++++++++++++++------
 openmc/region.py                      |  19 ++---
 openmc/surface.py                     |  49 +++---------
 openmc/universe.py                    |   5 +-
 tests/unit_tests/test_bounding_box.py |  75 ++++++++++++++++++
 6 files changed, 184 insertions(+), 76 deletions(-)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index f8824a025..ab2121b9c 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -134,7 +134,7 @@ jobs:
             ~/nndc_hdf5
             ~/endf-b-vii.1
           key: ${{ runner.os }}-build-xs-cache
-      
+
       - name: before
         shell: bash
         run: $GITHUB_WORKSPACE/tools/ci/gha-before-script.sh
diff --git a/openmc/bounding_box.py b/openmc/bounding_box.py
index 4e1994283..daa6a318e 100644
--- a/openmc/bounding_box.py
+++ b/openmc/bounding_box.py
@@ -6,7 +6,7 @@ import numpy as np
 from .checkvalue import check_length
 
 
-class BoundingBox(tuple):
+class BoundingBox:
     """Axis-aligned bounding box.
 
     .. versionadded:: 0.13.4
@@ -35,17 +35,66 @@ class BoundingBox(tuple):
         The width of the x, y and z axis in [cm]
     """
 
-    def __new__(cls, lower_left: Iterable[float], upper_right: Iterable[float]):
+    def __init__(self, lower_left: Iterable[float], upper_right: Iterable[float]):
         check_length("lower_left", lower_left, 3, 3)
         check_length("upper_right", upper_right, 3, 3)
-        lower_left = np.array(lower_left, dtype=float)
-        upper_right = np.array(upper_right, dtype=float)
-        return tuple.__new__(cls, (lower_left, upper_right))
+        self._bounds = np.asarray([lower_left, upper_right], dtype=float)
 
     def __repr__(self) -> str:
         return "BoundingBox(lower_left={}, upper_right={})".format(
             tuple(self.lower_left), tuple(self.upper_right))
 
+    def __getitem__(self, key) -> np.ndarray:
+        return self._bounds[key]
+
+    def __len__(self):
+        return 2
+
+    def __setitem__(self, key, val):
+        self._bounds[key] = val
+
+    def __iand__(self, other: BoundingBox) -> BoundingBox:
+        """Updates the box be the intersection of itself and another box
+
+        Parameters
+        ----------
+        other : BoundingBox
+            The box used to resize this box
+
+        Returns
+        -------
+        An updated bounding box
+        """
+        self.lower_left = np.maximum(self.lower_left, other.lower_left)
+        self.upper_right = np.minimum(self.upper_right, other.upper_right)
+        return self
+
+    def __and__(self, other: BoundingBox) -> BoundingBox:
+        new = BoundingBox(*self)
+        new &= other
+        return new
+
+    def __ior__(self, other: BoundingBox) -> BoundingBox:
+        """Updates the box be the union of itself and another box
+
+        Parameters
+        ----------
+        other : BoundingBox
+            The box used to resize this box
+
+        Returns
+        -------
+        An updated bounding box
+        """
+        self.lower_left = np.minimum(self.lower_left, other.lower_left)
+        self.upper_right = np.maximum(self.upper_right, other.upper_right)
+        return self
+
+    def __or__(self, other: BoundingBox) -> BoundingBox:
+        new = BoundingBox(*self)
+        new |= other
+        return new
+
     @property
     def center(self) -> np.ndarray:
         return (self[0] + self[1]) / 2
@@ -54,10 +103,20 @@ class BoundingBox(tuple):
     def lower_left(self) -> np.ndarray:
         return self[0]
 
+    @lower_left.setter
+    def lower_left(self, llc):
+        check_length('lower_left', llc, 3, 3)
+        self[0] = llc
+
     @property
     def upper_right(self) -> np.ndarray:
         return self[1]
 
+    @upper_right.setter
+    def upper_right(self, urc):
+        check_length('upper_right', urc, 3, 3)
+        self[1] = urc
+
     @property
     def volume(self) -> float:
         return np.abs(np.prod(self[1] - self[0]))
@@ -89,29 +148,36 @@ class BoundingBox(tuple):
     def width(self):
         return self.upper_right - self.lower_left
 
-    def extend(self, padding_distance: float) -> BoundingBox:
-        """Returns an extended bounding box
+    def expand(self, padding_distance: float, inplace: bool = False) -> BoundingBox:
+        """Returns an expanded bounding box
 
         Parameters
         ----------
         padding_distance : float
             The distance to enlarge the bounding box by
+        inplace : bool
+            Whether or not to return a new BoundingBox instance or to modify the
+            current BoundingBox object.
 
         Returns
         -------
-        An enlarged bounding box
-
+        An expanded bounding box
         """
-        return BoundingBox(np.array(
-            [
-                self[0][0] - padding_distance,
-                self[0][1] - padding_distance,
-                self[0][2] - padding_distance
-            ]
-        ), np.array(
-            [
-                self[1][0] + padding_distance,
-                self[1][1] + padding_distance,
-                self[1][2] + padding_distance
-            ]
-        ))
+        if inplace:
+            self[0] -= padding_distance
+            self[1] += padding_distance
+            return self
+        else:
+            return BoundingBox(self[0] - padding_distance, self[1] + padding_distance)
+
+    @classmethod
+    def infinite(cls) -> BoundingBox:
+        """Create an infinite box. Useful as a starting point for determining
+           geometry bounds.
+
+        Returns
+        -------
+        An infinitely large bounding box.
+        """
+        infs = np.full((3,), np.inf)
+        return cls(-infs, infs)
diff --git a/openmc/region.py b/openmc/region.py
index 1d54bff8d..e0c05d674 100644
--- a/openmc/region.py
+++ b/openmc/region.py
@@ -414,13 +414,10 @@ class Intersection(Region, MutableSequence):
 
     @property
     def bounding_box(self):
-        lower_left = np.array([-np.inf, -np.inf, -np.inf])
-        upper_right = np.array([np.inf, np.inf, np.inf])
+        box = BoundingBox.infinite()
         for n in self:
-            lower_left_n, upper_right_n = n.bounding_box
-            lower_left[:] = np.maximum(lower_left, lower_left_n)
-            upper_right[:] = np.minimum(upper_right, upper_right_n)
-        return BoundingBox(lower_left, upper_right)
+            box &= n.bounding_box
+        return box
 
 
 class Union(Region, MutableSequence):
@@ -505,13 +502,11 @@ class Union(Region, MutableSequence):
 
     @property
     def bounding_box(self):
-        lower_left = np.array([np.inf, np.inf, np.inf])
-        upper_right = np.array([-np.inf, -np.inf, -np.inf])
+        bbox = BoundingBox(np.array([np.inf]*3),
+                           np.array([-np.inf]*3))
         for n in self:
-            lower_left_n, upper_right_n = n.bounding_box
-            lower_left[:] = np.minimum(lower_left, lower_left_n)
-            upper_right[:] = np.maximum(upper_right, upper_right_n)
-        return BoundingBox(lower_left, upper_right)
+            bbox |= n.bounding_box
+        return bbox
 
 
 class Complement(Region):
diff --git a/openmc/surface.py b/openmc/surface.py
index 6f19de5ca..dc1068b22 100644
--- a/openmc/surface.py
+++ b/openmc/surface.py
@@ -233,10 +233,7 @@ class Surface(IDManagerMixin, ABC):
             desired half-space
 
         """
-        return BoundingBox(
-            np.array([-np.inf, -np.inf, -np.inf]),
-            np.array([np.inf, np.inf, np.inf])
-        )
+        return BoundingBox.infinite()
 
     def clone(self, memo=None):
         """Create a copy of this surface with a new unique ID.
@@ -1204,13 +1201,9 @@ class Cylinder(QuadricMixin, Surface):
                   else -np.inf for xi, dxi in zip(self._origin, self._axis)]
             ur = [xi + r if np.isclose(dxi, 0., rtol=0., atol=self._atol)
                   else np.inf for xi, dxi in zip(self._origin, self._axis)]
-            return (np.array(ll), np.array(ur))
-
+            return BoundingBox(np.array(ll), np.array(ur))
         elif side == '+':
-            return BoundingBox(
-                np.array([-np.inf, -np.inf, -np.inf]),
-                np.array([np.inf, np.inf, np.inf])
-            )
+            return BoundingBox.infinite()
 
     def _get_base_coeffs(self):
         # Get x, y, z coordinates of two points
@@ -1377,10 +1370,7 @@ class XCylinder(QuadricMixin, Surface):
                 np.array([np.inf, self.y0 + self.r, self.z0 + self.r])
             )
         elif side == '+':
-            return BoundingBox(
-                np.array([-np.inf, -np.inf, -np.inf]),
-                np.array([np.inf, np.inf, np.inf])
-            )
+            return BoundingBox.infinite()
 
     def evaluate(self, point):
         y = point[1] - self.y0
@@ -1472,10 +1462,7 @@ class YCylinder(QuadricMixin, Surface):
                 np.array([self.x0 + self.r, np.inf, self.z0 + self.r])
             )
         elif side == '+':
-            return BoundingBox(
-                np.array([-np.inf, -np.inf, -np.inf]),
-                np.array([np.inf, np.inf, np.inf])
-            )
+            return BoundingBox.infinite()
 
     def evaluate(self, point):
         x = point[0] - self.x0
@@ -1567,10 +1554,7 @@ class ZCylinder(QuadricMixin, Surface):
                 np.array([self.x0 + self.r, self.y0 + self.r, np.inf])
             )
         elif side == '+':
-            return BoundingBox(
-                np.array([-np.inf, -np.inf, -np.inf]),
-                np.array([np.inf, np.inf, np.inf])
-            )
+            return BoundingBox.infinite()
 
     def evaluate(self, point):
         x = point[0] - self.x0
@@ -1661,10 +1645,7 @@ class Sphere(QuadricMixin, Surface):
                 np.array([self.x0 + self.r, self.y0 + self.r, self.z0 + self.r])
             )
         elif side == '+':
-            return BoundingBox(
-                np.array([-np.inf, -np.inf, -np.inf]),
-                np.array([np.inf, np.inf, np.inf])
-            )
+            return BoundingBox.infinite()
 
     def evaluate(self, point):
         x = point[0] - self.x0
@@ -2285,10 +2266,8 @@ class XTorus(TorusMixin, Surface):
                 np.array([x0 + b, y0 + a + c, z0 + a + c])
             )
         elif side == '+':
-            return BoundingBox(
-                np.array([-np.inf, -np.inf, -np.inf]),
-                np.array([np.inf, np.inf, np.inf])
-            )
+            return BoundingBox.infinite()
+
 
 class YTorus(TorusMixin, Surface):
     r"""A torus of the form :math:`(y - y_0)^2/B^2 + (\sqrt{(x - x_0)^2 + (z -
@@ -2360,10 +2339,7 @@ class YTorus(TorusMixin, Surface):
                 np.array([x0 + a + c, y0 + b, z0 + a + c])
             )
         elif side == '+':
-            return BoundingBox(
-                np.array([-np.inf, -np.inf, -np.inf]),
-                np.array([np.inf, np.inf, np.inf])
-            )
+            return BoundingBox.infinite()
 
 
 class ZTorus(TorusMixin, Surface):
@@ -2436,10 +2412,7 @@ class ZTorus(TorusMixin, Surface):
                 np.array([x0 + a + c, y0 + a + c, z0 + b])
             )
         elif side == '+':
-            return BoundingBox(
-                np.array([-np.inf, -np.inf, -np.inf]),
-                np.array([np.inf, np.inf, np.inf])
-            )
+            return BoundingBox.infinite()
 
 
 class Halfspace(Region):
diff --git a/openmc/universe.py b/openmc/universe.py
index cfa6634f8..44f95c1d2 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -234,8 +234,7 @@ class Universe(UniverseBase):
         if regions:
             return openmc.Union(regions).bounding_box
         else:
-            # Infinite bounding box
-            return openmc.Intersection([]).bounding_box
+            return openmc.BoundingBox.infinite()
 
     @classmethod
     def from_hdf5(cls, group, cells):
@@ -993,7 +992,7 @@ class DAGMCUniverse(UniverseBase):
         check_type('bounded type', bounded_type, str)
         check_value('bounded type', bounded_type, ('box', 'sphere'))
 
-        bbox = self.bounding_box.extend(padding_distance)
+        bbox = self.bounding_box.expand(padding_distance, True)
 
         if bounded_type == 'sphere':
             radius = np.linalg.norm(bbox.upper_right - bbox.center)
diff --git a/tests/unit_tests/test_bounding_box.py b/tests/unit_tests/test_bounding_box.py
index 1adb1976d..89e504271 100644
--- a/tests/unit_tests/test_bounding_box.py
+++ b/tests/unit_tests/test_bounding_box.py
@@ -81,3 +81,78 @@ def test_bounding_box_extents():
     assert test_bb_1.extent['xy'] == (-10., 1., -20., 2.)
     assert test_bb_1.extent['xz'] == (-10., 1., -30., 3.)
     assert test_bb_1.extent['yz'] == (-20., 2., -30., 3.)
+
+
+def test_bounding_box_methods():
+    test_bb = openmc.BoundingBox.infinite()
+
+    # check assignment operator
+    test_bb[0] = [-10, -11, -12]
+    test_bb[1] = [13, 14, 15]
+
+    assert all(test_bb[0] == [-10, -11, -12])
+    assert all(test_bb[1] == [13, 14, 15])
+
+    # check length and iteration
+    assert len(test_bb) == 2
+    ll, ur = test_bb
+    assert all(ll == [-10, -11, -12])
+    assert all(ur == [13, 14, 15])
+
+    # test expand/reduce methods
+    other_bb = openmc.BoundingBox([-5, -5, -50], [5, 50, 5])
+
+    reduced_bb = test_bb & other_bb
+
+    # inplace was False by default. BoundingBox.reduce should return a new object
+    assert test_bb is not reduced_bb
+
+    # the original bounding box should be unchanged
+    assert all(test_bb[0] == [-10, -11, -12])
+    assert all(test_bb[1] == [13, 14, 15])
+
+    assert all(reduced_bb[0] == [-5, -5, -12])
+    assert all(reduced_bb[1] == [5, 14, 5])
+
+    test_bb &= other_bb
+
+    assert all(test_bb[0] == [-5, -5, -12])
+    assert all(test_bb[1] == [5, 14, 5])
+
+    other_bb = openmc.BoundingBox([-50, -50, -1], [50, 1, 50])
+
+    expanded_bb = test_bb | other_bb
+
+    # inplace was False by default. BoundingBox.expand should return a new object
+    assert test_bb is not expanded_bb
+
+    # the original bounding box should be unchanged
+    assert all(test_bb[0] == [-5, -5, -12])
+    assert all(test_bb[1] == [5, 14, 5])
+
+    assert all(expanded_bb[0] == [-50, -50, -12])
+    assert all(expanded_bb[1] == [50, 14, 50])
+
+    test_bb |= other_bb
+
+    assert all(test_bb[0] == [-50, -50, -12])
+    assert all(test_bb[1] == [50, 14, 50])
+
+    extended_bbox = test_bb.expand(0.1)
+
+    assert extended_bbox is not test_bb
+
+    # the original bounding box should not be changed with inplace as False
+    assert all(test_bb[0] == [-50, -50, -12])
+    assert all(test_bb[1] == [50, 14, 50])
+
+    assert all(extended_bbox[0] == [-50.1, -50.1, -12.1])
+    assert all(extended_bbox[1] == [50.1, 14.1, 50.1])
+
+    extended_bbox = test_bb.expand(0.1, True)
+
+    # inplace was set to True. BoundingBox.reduce should return the same object
+    assert extended_bbox is test_bb
+
+    assert all(test_bb[0] == [-50.1, -50.1, -12.1])
+    assert all(test_bb[1] == [50.1, 14.1, 50.1])

From 7fe80e1490109fa68ac4521ebf2a08aef94683e0 Mon Sep 17 00:00:00 2001
From: ecasglez <29178639+ecasglez@users.noreply.github.com>
Date: Wed, 18 Oct 2023 13:43:18 +0200
Subject: [PATCH 1966/2654] Fix parsing xml files when running openmc-plotter
 in regions with comma decimal separator (#2723)

Co-authored-by: ecasglez <emilio.castro@upm.es>
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 src/initialize.cpp | 16 ++++++++++++++++
 1 file changed, 16 insertions(+)

diff --git a/src/initialize.cpp b/src/initialize.cpp
index 2f448e804..cafcd5828 100644
--- a/src/initialize.cpp
+++ b/src/initialize.cpp
@@ -1,5 +1,6 @@
 #include "openmc/initialize.h"
 
+#include <clocale>
 #include <cstddef>
 #include <cstdlib> // for getenv
 #include <cstring>
@@ -106,10 +107,25 @@ int openmc_init(int argc, char* argv[], const void* intracomm)
   // will be re-initialized later
   openmc::openmc_set_seed(DEFAULT_SEED);
 
+  // Copy previous locale and set locale to C. This is a workaround for an issue
+  // whereby when openmc_init is called from the plotter, the Qt application
+  // framework first calls std::setlocale, which affects how pugixml reads
+  // floating point numbers due to a bug:
+  // https://github.com/zeux/pugixml/issues/469
+  std::string prev_locale = std::setlocale(LC_ALL, nullptr);
+  if (std::setlocale(LC_ALL, "C") == NULL) {
+    fatal_error("Cannot set locale to C.");
+  }
+
   // Read XML input files
   if (!read_model_xml())
     read_separate_xml_files();
 
+  // Reset locale to previous state
+  if (std::setlocale(LC_ALL, prev_locale.c_str()) == NULL) {
+    fatal_error("Cannot reset locale.");
+  }
+
   // Write some initial output under the header if needed
   initial_output();
 

From 55a682d44dcaafce4c7075d843d878db55da5aa8 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 19 Oct 2023 16:29:50 -0500
Subject: [PATCH 1967/2654] Property name swap for points in local mesh
 coordinates (#2732)

---
 openmc/mesh.py | 20 ++++++++++----------
 1 file changed, 10 insertions(+), 10 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 8995379df..651829093 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -171,8 +171,8 @@ class StructuredMesh(MeshBase):
     @property
     def vertices(self):
         """Return coordinates of mesh vertices in Cartesian coordinates. Also
-           see :meth:`CylindricalMesh.cylindrical_vertices` and
-           :meth:`SphericalMesh.spherical_vertices` for coordinates in other coordinate
+           see :meth:`CylindricalMesh.vertices_cylindrical` and
+           :meth:`SphericalMesh.vertices_spherical` for coordinates in other coordinate
            systems.
 
         Returns
@@ -1520,10 +1520,10 @@ class CylindricalMesh(StructuredMesh):
     @property
     def vertices(self):
         warnings.warn('Cartesian coordinates are returned from this property as of version 0.13.4')
-        return self._convert_to_cartesian(self.cylindrical_vertices, self.origin)
+        return self._convert_to_cartesian(self.vertices_cylindrical, self.origin)
 
     @property
-    def cylindrical_vertices(self):
+    def vertices_cylindrical(self):
         """Returns vertices of the mesh in cylindrical coordinates.
         """
         return super().vertices
@@ -1531,10 +1531,10 @@ class CylindricalMesh(StructuredMesh):
     @property
     def centroids(self):
         warnings.warn('Cartesian coordinates are returned from this property as of version 0.13.4')
-        return self._convert_to_cartesian(self.cylindrical_centroids, self.origin)
+        return self._convert_to_cartesian(self.centroids_cylindrical, self.origin)
 
     @property
-    def cylindrical_centroids(self):
+    def centroids_cylindrical(self):
         """Returns centroids of the mesh in cylindrical coordinates.
         """
         return super().centroids
@@ -1815,10 +1815,10 @@ class SphericalMesh(StructuredMesh):
     @property
     def vertices(self):
         warnings.warn('Cartesian coordinates are returned from this property as of version 0.13.4')
-        return self._convert_to_cartesian(self.spherical_vertices, self.origin)
+        return self._convert_to_cartesian(self.vertices_spherical, self.origin)
 
     @property
-    def spherical_vertices(self):
+    def vertices_spherical(self):
         """Returns vertices of the mesh in cylindrical coordinates.
         """
         return super().vertices
@@ -1826,10 +1826,10 @@ class SphericalMesh(StructuredMesh):
     @property
     def centroids(self):
         warnings.warn('Cartesian coordinates are returned from this property as of version 0.13.4')
-        return self._convert_to_cartesian(self.spherical_centroids, self.origin)
+        return self._convert_to_cartesian(self.centroids_spherical, self.origin)
 
     @property
-    def spherical_centroids(self):
+    def centroids_spherical(self):
         """Returns centroids of the mesh in cylindrical coordinates.
         """
         return super().centroids

From f82bdaa718565f851dd21e1f348d3ac11069ea9e Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 20 Oct 2023 09:04:05 -0500
Subject: [PATCH 1968/2654] Bug fix in `Region.from_expression` during
 tokenization (#2733)

---
 openmc/region.py                | 10 +++++-----
 tests/unit_tests/test_region.py |  3 ++-
 2 files changed, 7 insertions(+), 6 deletions(-)

diff --git a/openmc/region.py b/openmc/region.py
index e0c05d674..51e1820fe 100644
--- a/openmc/region.py
+++ b/openmc/region.py
@@ -105,17 +105,17 @@ class Region(ABC):
                 # If special character appears immediately after a non-operator,
                 # create a token with the appropriate half-space
                 if i_start >= 0:
-                    # When an opening parenthesis appears after a non-operator,
-                    # there's an implicit intersection operator between them
-                    if expression[i] == '(':
-                        tokens.append(' ')
-
                     j = int(expression[i_start:i])
                     if j < 0:
                         tokens.append(-surfaces[abs(j)])
                     else:
                         tokens.append(+surfaces[abs(j)])
 
+                    # When an opening parenthesis appears after a non-operator,
+                    # there's an implicit intersection operator between them
+                    if expression[i] == '(':
+                        tokens.append(' ')
+
                 if expression[i] in '()|~':
                     # For everything other than intersection, add the operator
                     # to the list of tokens
diff --git a/tests/unit_tests/test_region.py b/tests/unit_tests/test_region.py
index 2e517c965..3197a8d72 100644
--- a/tests/unit_tests/test_region.py
+++ b/tests/unit_tests/test_region.py
@@ -208,7 +208,8 @@ def test_from_expression(reset):
     # Opening parenthesis immediately after halfspace
     r = openmc.Region.from_expression('1(2|-3)', surfs)
     assert str(r) == '(1 (2 | -3))'
-
+    r = openmc.Region.from_expression('-1|(1 2(-3))', surfs)
+    assert str(r) == '(-1 | (1 2 -3))'
 
 def test_translate_inplace():
     sph = openmc.Sphere()

From e851c57b7bc77d059ed15244ac4891aaead8c726 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 20 Oct 2023 10:14:11 -0500
Subject: [PATCH 1969/2654] Correct cylindrical/spherical centroids. (#2736)

---
 openmc/mesh.py                |  4 +++-
 tests/unit_tests/test_mesh.py | 35 ++++++++++++++++++++++++++++++++++-
 2 files changed, 37 insertions(+), 2 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 651829093..c0203dcd9 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -257,7 +257,9 @@ class StructuredMesh(MeshBase):
 
         """
         ndim = self.n_dimension
-        vertices = self.vertices
+        # this line ensures that the vertices aren't adjusted by the origin or
+        # converted to the Cartesian system for cylindrical and spherical meshes
+        vertices = StructuredMesh.vertices.fget(self)
         s0 = (slice(None),) + (slice(0, -1),)*ndim
         s1 = (slice(None),) + (slice(1, None),)*ndim
         return (vertices[s0] + vertices[s1]) / 2
diff --git a/tests/unit_tests/test_mesh.py b/tests/unit_tests/test_mesh.py
index 61e8b2a12..719451934 100644
--- a/tests/unit_tests/test_mesh.py
+++ b/tests/unit_tests/test_mesh.py
@@ -76,7 +76,6 @@ def test_cylindrical_mesh_bounding_box():
     np.testing.assert_array_equal(mesh.lower_left, (2, 4, -3))
     np.testing.assert_array_equal(mesh.upper_right, (4, 6, 17))
 
-
 def test_spherical_mesh_bounding_box():
     # test with mesh at origin (0, 0, 0)
     mesh = openmc.SphericalMesh([0.1, 0.2, 0.5, 1.], origin=(0., 0., 0.))
@@ -155,3 +154,37 @@ def test_CylindricalMesh_initiation():
     # waffles and pancakes are unfortunately not valid radii
     with pytest.raises(TypeError):
         openmc.SphericalMesh(('🧇', '🥞'))
+
+
+def test_centroids():
+    # regular mesh
+    mesh = openmc.RegularMesh()
+    mesh.lower_left = (1., 2., 3.)
+    mesh.upper_right = (11., 12., 13.)
+    mesh.dimension = (1, 1, 1)
+    np.testing.assert_array_almost_equal(mesh.centroids[:, 0, 0, 0], [6., 7., 8.])
+
+    # rectilinear mesh
+    mesh = openmc.RectilinearMesh()
+    mesh.x_grid = [1., 11.]
+    mesh.y_grid = [2., 12.]
+    mesh.z_grid = [3., 13.]
+    np.testing.assert_array_almost_equal(mesh.centroids[:, 0, 0, 0], [6., 7., 8.])
+
+    # cylindrical mesh
+    mesh = openmc.CylindricalMesh(r_grid=(0, 10), z_grid=(0, 10), phi_grid=(0, np.pi))
+    np.testing.assert_array_almost_equal(mesh.centroids[:, 0, 0, 0], [0.0, 5.0, 5.0])
+    # ensure that setting an origin is handled correctly
+    mesh.origin = (5.0, 0, -10)
+    np.testing.assert_array_almost_equal(mesh.centroids[:, 0, 0, 0], [5.0, 5.0, -5.0])
+
+    # spherical mesh, single element xyz-positive octant
+    mesh = openmc.SphericalMesh(r_grid=[0, 10], theta_grid=[0, 0.5*np.pi], phi_grid=[0, np.pi])
+    x = 5.*np.cos(0.5*np.pi)*np.sin(0.25*np.pi)
+    y = 5.*np.sin(0.5*np.pi)*np.sin(0.25*np.pi)
+    z = 5.*np.sin(0.25*np.pi)
+    np.testing.assert_array_almost_equal(mesh.centroids[:, 0, 0, 0], [x, y, z])
+
+    mesh.origin = (-5.0, -5.0, 5.0)
+    np.testing.assert_array_almost_equal(mesh.centroids[:, 0, 0, 0], [x-5.0, y-5.0, z+5.0])
+

From 979c1648015f66329a0e517e1f8724ba40b9aef2 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Mon, 23 Oct 2023 13:20:05 -0500
Subject: [PATCH 1970/2654] Check for invalid domain IDs in volume calculations
 (#2742)

---
 src/volume_calc.cpp             | 33 ++++++++++++++++++++++++++++++++-
 tests/unit_tests/test_volume.py | 16 ++++++++++++++++
 2 files changed, 48 insertions(+), 1 deletion(-)

diff --git a/src/volume_calc.cpp b/src/volume_calc.cpp
index 8949d5c20..8cd697a9d 100644
--- a/src/volume_calc.cpp
+++ b/src/volume_calc.cpp
@@ -97,6 +97,31 @@ VolumeCalculation::VolumeCalculation(pugi::xml_node node)
 
 vector<VolumeCalculation::Result> VolumeCalculation::execute() const
 {
+  // Check to make sure domain IDs are valid
+  for (auto uid : domain_ids_) {
+    switch (domain_type_) {
+    case TallyDomain::CELL:
+      if (model::cell_map.find(uid) == model::cell_map.end()) {
+        throw std::runtime_error {fmt::format(
+          "Cell {} in volume calculation does not exist in geometry.", uid)};
+      }
+      break;
+    case TallyDomain::MATERIAL:
+      if (model::material_map.find(uid) == model::material_map.end()) {
+        throw std::runtime_error {fmt::format(
+          "Material {} in volume calculation does not exist in geometry.",
+          uid)};
+      }
+      break;
+    case TallyDomain::UNIVERSE:
+      if (model::universe_map.find(uid) == model::universe_map.end()) {
+        throw std::runtime_error {fmt::format(
+          "Universe {} in volume calculation does not exist in geometry.",
+          uid)};
+      }
+    }
+  }
+
   // Shared data that is collected from all threads
   int n = domain_ids_.size();
   vector<vector<uint64_t>> master_indices(
@@ -519,7 +544,13 @@ int openmc_calculate_volumes()
 
     // Run volume calculation
     const auto& vol_calc {model::volume_calcs[i]};
-    auto results = vol_calc.execute();
+    std::vector<VolumeCalculation::Result> results;
+    try {
+      results = vol_calc.execute();
+    } catch (const std::exception& e) {
+      set_errmsg(e.what());
+      return OPENMC_E_UNASSIGNED;
+    }
 
     if (mpi::master) {
       std::string domain_type;
diff --git a/tests/unit_tests/test_volume.py b/tests/unit_tests/test_volume.py
index f49bb3501..f9343a0b1 100644
--- a/tests/unit_tests/test_volume.py
+++ b/tests/unit_tests/test_volume.py
@@ -13,3 +13,19 @@ def test_infinity_handling():
 
     with pytest.raises(ValueError, match="must be finite"):
         openmc.VolumeCalculation([cell1], 100, lower_left, upper_right)
+
+
+@pytest.mark.parametrize('cls', [openmc.Cell, openmc.Material, openmc.Universe])
+def test_invalid_id(run_in_tmpdir, cls):
+    m = openmc.Material()
+    m.add_nuclide('U235', 0.02)
+    sph = openmc.Sphere(boundary_type='vacuum')
+    cell = openmc.Cell(fill=m, region=-sph)
+    model = openmc.Model(geometry=openmc.Geometry([cell]))
+
+    # Apply volume calculation with unused domains
+    model.settings.volume_calculations = openmc.VolumeCalculation(
+        [cls()], 10000, *model.geometry.bounding_box)
+
+    with pytest.raises(RuntimeError):
+        model.calculate_volumes()

From 079629b8283b4bf9139e4f568b37bafc88455a6b Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Mon, 23 Oct 2023 13:48:50 -0500
Subject: [PATCH 1971/2654] Add section in developer's guide about possible
 reasons for failing tests (#2738)

---
 docs/source/devguide/tests.rst | 25 +++++++++++++++++++++++++
 1 file changed, 25 insertions(+)

diff --git a/docs/source/devguide/tests.rst b/docs/source/devguide/tests.rst
index 582bb033d..9a102d2dc 100644
--- a/docs/source/devguide/tests.rst
+++ b/docs/source/devguide/tests.rst
@@ -59,6 +59,31 @@ If you want to view testing output on failure run::
 
     ctest --output-on-failure
 
+Possible Reasons for Test Failures
+----------------------------------
+
+You may find that when you run the test suite, not everything passes. First,
+make sure you have satisfied all the prerequisites above. After you have done
+that, consider the following:
+
+- When building OpenMC, make sure you run CMake with
+  ``-DCMAKE_BUILD_TYPE=Debug``. Building with a release build will result in
+  some test failures due to differences in which compiler optimizations are
+  used.
+- Because tallies involve the sum of many floating point numbers, the
+  non-associativity of floating point numbers can result in different answers
+  especially when the number of threads is high (different order of operations).
+  Thus, if you are running on a CPU with many cores, you may need to limit the
+  number of OpenMP threads used. It is recommended to set the
+  :envvar:`OMP_NUM_THREADS` environment variable to 2.
+- Recent versions of NumPy use instruction dispatch that may generate different
+  results depending the particular ISA that you are running on. To avoid issues,
+  you may need to disable AVX512 instructions. This can be done by setting the
+  :envvar:`NPY_DISABLE_CPU_FEATURES` environment variable to "AVX512F
+  AVX512_SKX". When NumPy/SciPy are built against OpenBLAS, you may also need to
+  limit the number of threads that OpenBLAS uses internally; this can be done by
+  setting the :envvar:`OPENBLAS_NUM_THREADS` environment variable to 1.
+
 Generating XML Inputs
 ---------------------
 

From b465a8380635f61748beba8c9fdd7f3e98ccbb4f Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Mon, 23 Oct 2023 17:50:21 -0500
Subject: [PATCH 1972/2654] Skip BC check for volume calculations (#2743)

---
 src/geometry_aux.cpp            |  3 ++-
 tests/unit_tests/test_volume.py | 14 ++++++++++++++
 2 files changed, 16 insertions(+), 1 deletion(-)

diff --git a/src/geometry_aux.cpp b/src/geometry_aux.cpp
index 3ab5fcc2d..98dfc12a7 100644
--- a/src/geometry_aux.cpp
+++ b/src/geometry_aux.cpp
@@ -81,7 +81,8 @@ void read_geometry_xml(pugi::xml_node root)
     }
   }
 
-  if (settings::run_mode != RunMode::PLOTTING && !boundary_exists) {
+  if (settings::run_mode != RunMode::PLOTTING &&
+      settings::run_mode != RunMode::VOLUME && !boundary_exists) {
     fatal_error("No boundary conditions were applied to any surfaces!");
   }
 
diff --git a/tests/unit_tests/test_volume.py b/tests/unit_tests/test_volume.py
index f9343a0b1..0993cb66a 100644
--- a/tests/unit_tests/test_volume.py
+++ b/tests/unit_tests/test_volume.py
@@ -29,3 +29,17 @@ def test_invalid_id(run_in_tmpdir, cls):
 
     with pytest.raises(RuntimeError):
         model.calculate_volumes()
+
+
+def test_no_bcs(run_in_tmpdir):
+    """Ensure that a model without boundary conditions can be used in a volume calculation"""
+    model = openmc.examples.pwr_pin_cell()
+    for surface in model.geometry.get_all_surfaces().values():
+        surface.boundary_type = 'transmission'
+
+    bbox = openmc.BoundingBox([-1.]*3, [1.]*3)
+    cells = list(model.geometry.get_all_cells().values())
+    vc = openmc.VolumeCalculation(cells, samples=10, lower_left=bbox[0], upper_right=bbox[1])
+
+    model.settings.volume_calculations = [vc]
+    model.calculate_volumes()

From 751ea980749bf754516caf4574e3295e1752a56f Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Tue, 24 Oct 2023 14:24:28 -0500
Subject: [PATCH 1973/2654] Adding info on clang-format version used in CI
 (#2748)

---
 .github/pull_request_template.md    | 2 +-
 docs/source/devguide/styleguide.rst | 4 ++++
 2 files changed, 5 insertions(+), 1 deletion(-)

diff --git a/.github/pull_request_template.md b/.github/pull_request_template.md
index 030914812..68a6e692a 100644
--- a/.github/pull_request_template.md
+++ b/.github/pull_request_template.md
@@ -13,7 +13,7 @@ Fixes # (issue)
 # Checklist
 
 - [ ] I have performed a self-review of my own code
-- [ ] I have run [clang-format](https://docs.openmc.org/en/latest/devguide/styleguide.html#automatic-formatting) on any C++ source files (if applicable)
+- [ ] I have run [clang-format](https://docs.openmc.org/en/latest/devguide/styleguide.html#automatic-formatting) (version 15) on any C++ source files (if applicable)
 - [ ] I have followed the [style guidelines](https://docs.openmc.org/en/latest/devguide/styleguide.html#python) for Python source files (if applicable)
 - [ ] I have made corresponding changes to the documentation (if applicable)
 - [ ] I have added tests that prove my fix is effective or that my feature works (if applicable)
diff --git a/docs/source/devguide/styleguide.rst b/docs/source/devguide/styleguide.rst
index 2a744b819..9f6f82f06 100644
--- a/docs/source/devguide/styleguide.rst
+++ b/docs/source/devguide/styleguide.rst
@@ -29,6 +29,10 @@ whenever a file is saved. For example, `Visual Studio Code
 <https://code.visualstudio.com/docs/cpp/cpp-ide#_code-formatting>`_ includes
 support for running clang-format.
 
+.. note::
+    OpenMC's CI uses `clang-format` version 15. A different version of `clang-format`
+    may produce different line changes and as a result fail the CI test.
+
 Miscellaneous
 -------------
 

From 02bd680965caf4ad3154fbdca935be2b1e45d7d5 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Mon, 30 Oct 2023 07:29:28 -0500
Subject: [PATCH 1974/2654] Fix type hint in Materials class (#2745)

---
 CMakeLists.txt     | 1 +
 openmc/material.py | 4 ++--
 2 files changed, 3 insertions(+), 2 deletions(-)

diff --git a/CMakeLists.txt b/CMakeLists.txt
index a51db3111..69e7ad9a9 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -120,6 +120,7 @@ if(OPENMC_USE_DAGMC)
     message(FATAL_ERROR "Discovered DAGMC Version: ${DAGMC_VERSION}. \
     Please update DAGMC to version 3.2.0 or greater.")
   endif()
+  message(STATUS "Found DAGMC: ${DAGMC_DIR} (version ${DAGMC_VERSION})")
 endif()
 
 #===============================================================================
diff --git a/openmc/material.py b/openmc/material.py
index d8bcc209c..5af56d64f 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -1713,7 +1713,7 @@ class Materials(cv.CheckedList):
             self._write_xml(fh, nuclides_to_ignore=nuclides_to_ignore)
 
     @classmethod
-    def from_xml_element(cls, elem) -> Material:
+    def from_xml_element(cls, elem) -> Materials:
         """Generate materials collection from XML file
 
         Parameters
@@ -1740,7 +1740,7 @@ class Materials(cv.CheckedList):
         return materials
 
     @classmethod
-    def from_xml(cls, path: PathLike = 'materials.xml') -> Material:
+    def from_xml(cls, path: PathLike = 'materials.xml') -> Materials:
         """Generate materials collection from XML file
 
         Parameters

From 2c1e3048926e235ec88ea2bfef11ac2334f63dd1 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Mon, 30 Oct 2023 07:30:04 -0500
Subject: [PATCH 1975/2654] Fix bug in selecting data temperatures to read with
 temperature interpolation (#2734)

---
 src/nuclide.cpp                      |  4 ++--
 tests/unit_tests/test_temp_interp.py | 35 ++++++++++++++++++++++++++++
 2 files changed, 37 insertions(+), 2 deletions(-)

diff --git a/src/nuclide.cpp b/src/nuclide.cpp
index 6b70ad9e3..d28630252 100644
--- a/src/nuclide.cpp
+++ b/src/nuclide.cpp
@@ -176,14 +176,14 @@ Nuclide::Nuclide(hid_t group, const vector<double>& temperature)
           if (!contains(temps_to_read, temps_available.front())) {
             temps_to_read.push_back(std::round(temps_available.front()));
           }
-          break;
+          continue;
         }
         if (std::abs(T_desired - temps_available.back()) <=
             settings::temperature_tolerance) {
           if (!contains(temps_to_read, temps_available.back())) {
             temps_to_read.push_back(std::round(temps_available.back()));
           }
-          break;
+          continue;
         }
         fatal_error(
           "Nuclear data library does not contain cross sections for " + name_ +
diff --git a/tests/unit_tests/test_temp_interp.py b/tests/unit_tests/test_temp_interp.py
index a28aafb6f..4c2882347 100644
--- a/tests/unit_tests/test_temp_interp.py
+++ b/tests/unit_tests/test_temp_interp.py
@@ -238,3 +238,38 @@ def test_temperature_interpolation_tolerance(model):
     # All calculated k-effectives should be equal
     assert default_k == pytest.approx(interpolated_k)
     assert interpolated_k == pytest.approx(cell_k)
+
+
+def test_temperature_slightly_above(run_in_tmpdir):
+    """In this test, we have two materials at temperatures close to actual data
+    temperatures. However, one is slightly above the highest temperature which
+    invokes separate logic. The k-effective value should be somewhere between
+    k=2 (if the temperature were only 600 K) and k=1 (if the temperature were
+    only 900 K)."""
+
+    make_fake_cross_section()
+
+    model = openmc.Model()
+    mat1 = openmc.Material()
+    mat1.add_nuclide('U235', 1.0)
+    mat1.temperature = 900.1
+    mat2 = openmc.Material()
+    mat2.add_nuclide('U235', 1.0)
+    mat2.temperature = 600.0
+    model.materials.extend([mat1, mat2])
+    model.materials.cross_sections = str(Path('cross_sections_fake.xml').resolve())
+
+    sph1 = openmc.Sphere(r=1.0)
+    sph2 = openmc.Sphere(r=4.0, boundary_type='reflective')
+    cell1 = openmc.Cell(fill=mat1, region=-sph1)
+    cell2 = openmc.Cell(fill=mat2, region=+sph1 & -sph2)
+    model.geometry = openmc.Geometry([cell1, cell2])
+
+    model.settings.particles = 1000
+    model.settings.inactive = 0
+    model.settings.batches = 10
+    model.settings.temperature = {'method': 'interpolation'}
+
+    sp_filename = model.run()
+    with openmc.StatePoint(sp_filename) as sp:
+        assert 1.1 < sp.keff.n < 1.9

From 693314d097c79c1f596f336eb69e4a212072e5df Mon Sep 17 00:00:00 2001
From: Yuvraj Jain <20016119+nutcasev15@users.noreply.github.com>
Date: Mon, 30 Oct 2023 20:51:31 +0000
Subject: [PATCH 1976/2654] Leaky and Albedo Boundary Conditions Implementation
 (#2724)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 docs/source/io_formats/summary.rst            |   8 +-
 docs/source/usersguide/geometry.rst           |  32 +++-
 include/openmc/boundary_condition.h           |  39 ++++
 include/openmc/surface.h                      |   8 +-
 openmc/model/funcs.py                         |  93 ++++++----
 openmc/surface.py                             | 168 ++++++++++++++++--
 src/boundary_condition.cpp                    |  12 ++
 src/dagmc.cpp                                 |   6 +-
 src/surface.cpp                               |  53 ++++--
 tests/regression_tests/albedo_box/__init__.py |   0
 .../regression_tests/albedo_box/geometry.xml  |  13 ++
 .../regression_tests/albedo_box/materials.xml |   9 +
 .../albedo_box/results_true.dat               |   2 +
 .../regression_tests/albedo_box/settings.xml  |   9 +
 tests/regression_tests/albedo_box/test.py     |   6 +
 15 files changed, 376 insertions(+), 82 deletions(-)
 create mode 100755 tests/regression_tests/albedo_box/__init__.py
 create mode 100644 tests/regression_tests/albedo_box/geometry.xml
 create mode 100644 tests/regression_tests/albedo_box/materials.xml
 create mode 100644 tests/regression_tests/albedo_box/results_true.dat
 create mode 100644 tests/regression_tests/albedo_box/settings.xml
 create mode 100755 tests/regression_tests/albedo_box/test.py

diff --git a/docs/source/io_formats/summary.rst b/docs/source/io_formats/summary.rst
index c140d98ae..7d3ab94d9 100644
--- a/docs/source/io_formats/summary.rst
+++ b/docs/source/io_formats/summary.rst
@@ -60,9 +60,11 @@ The current version of the summary file format is 6.0.
            - **coefficients** (*double[]*) -- Array of coefficients that define
              the surface. See :ref:`surface_element` for what coefficients are
              defined for each surface type.
-           - **boundary_condition** (*char[]*) -- Boundary condition applied to
-             the surface. Can be 'transmission', 'vacuum', 'reflective', or
-             'periodic'.
+           - **boundary_type** (*char[]*) -- Boundary condition applied to
+             the surface. Can be 'transmission', 'vacuum', 'reflective',
+             'periodic', or 'white'.
+           - **albedo** (*double*) -- Boundary albedo as a positive multiplier
+             of particle weight. If absent, it is assumed to be 1.0.
            - **geom_type** (*char[]*) -- Type of geometry used to create the cell.
              Either 'csg' or 'dagmc'.
 
diff --git a/docs/source/usersguide/geometry.rst b/docs/source/usersguide/geometry.rst
index 2382609a4..379642996 100644
--- a/docs/source/usersguide/geometry.rst
+++ b/docs/source/usersguide/geometry.rst
@@ -172,13 +172,17 @@ surface. To specify a vacuum boundary condition, simply change the
    outer_surface = openmc.Sphere(r=100.0)
    outer_surface.boundary_type = 'vacuum'
 
-Reflective and periodic boundary conditions can be set with the strings
-'reflective' and 'periodic'. Vacuum and reflective boundary conditions can be
-applied to any type of surface. Periodic boundary conditions can be applied to
-pairs of planar surfaces. If there are only two periodic surfaces they will be
-matched automatically. Otherwise it is necessary to specify pairs explicitly
-using the :attr:`Surface.periodic_surface` attribute as in the following
-example::
+Reflective, periodic, and white boundary conditions can be set with the
+strings 'reflective', 'periodic', and 'white' respectively.
+Vacuum, reflective and white boundary conditions can be applied to any
+type of surface. The 'white' boundary condition supports diffuse particle
+reflection in contrast to specular reflection provided by the 'reflective'
+boundary condition.
+
+Periodic boundary conditions can be applied to pairs of planar surfaces.
+If there are only two periodic surfaces they will be matched automatically.
+Otherwise it is necessary to specify pairs explicitly using the
+:attr:`Surface.periodic_surface` attribute as in the following example::
 
   p1 = openmc.Plane(a=0.3, b=5.0, d=1.0, boundary_type='periodic')
   p2 = openmc.Plane(a=0.3, b=5.0, d=-1.0, boundary_type='periodic')
@@ -196,6 +200,20 @@ lies in the first quadrant of the Cartesian grid. If the geometry instead lies
 in the fourth quadrant, the :class:`YPlane` must be replaced by a
 :class:`Plane` with the normal vector pointing in the :math:`-y` direction.
 
+Additionally, 'reflective', 'periodic', and 'white' boundary conditions have
+an albedo parameter that can be used to modify the importance of particles
+that encounter the boundary. The albedo value specifies the ratio between
+the particle's importance after interaction with the boundary to its initial
+importance. The following example creates a reflective planar surface which
+reduces the reflected particles' importance by 33.3%::
+
+   x1 = openmc.XPlane(1.0, boundary_type='reflective', albedo=0.667)
+
+   # This is equivalent
+   x1 = openmc.XPlane(1.0)
+   x1.boundary_type = 'reflective'
+   x1.albedo = 0.667
+
 .. _usersguide_cells:
 
 -----
diff --git a/include/openmc/boundary_condition.h b/include/openmc/boundary_condition.h
index 0f16fa3b3..fde860dbc 100644
--- a/include/openmc/boundary_condition.h
+++ b/include/openmc/boundary_condition.h
@@ -1,7 +1,10 @@
 #ifndef OPENMC_BOUNDARY_CONDITION_H
 #define OPENMC_BOUNDARY_CONDITION_H
 
+#include "openmc/hdf5_interface.h"
+#include "openmc/particle.h"
 #include "openmc/position.h"
+#include <fmt/core.h>
 
 namespace openmc {
 
@@ -22,8 +25,44 @@ public:
   //! \param surf The specific surface on the boundary the particle struck.
   virtual void handle_particle(Particle& p, const Surface& surf) const = 0;
 
+  //! Modify the incident particle's weight according to the boundary's albedo.
+  //! \param p The particle that struck the boundary.  This function calculates
+  //!   the reduction in the incident particle's weight as it interacts
+  //!   with a boundary. The lost weight is tallied before the remaining weight
+  //!   is reassigned to the incident particle. Implementations of the
+  //!   handle_particle function typically call this method in its body.
+  //! \param surf The specific surface on the boundary the particle struck.
+  void handle_albedo(Particle& p, const Surface& surf) const
+  {
+    if (!has_albedo())
+      return;
+    double initial_wgt = p.wgt();
+    // Treat the lost weight fraction as leakage, similar to VacuumBC.
+    // This ensures the lost weight is tallied properly.
+    p.wgt() *= (1.0 - albedo_);
+    p.cross_vacuum_bc(surf);
+    p.wgt() = initial_wgt * albedo_;
+  };
+
   //! Return a string classification of this BC.
   virtual std::string type() const = 0;
+
+  //! Write albedo data of this BC to hdf5.
+  void to_hdf5(hid_t surf_group) const
+  {
+    if (has_albedo()) {
+      write_string(surf_group, "albedo", fmt::format("{}", albedo_), false);
+    }
+  };
+
+  //! Set albedo of this BC.
+  void set_albedo(double albedo) { albedo_ = albedo; }
+
+  //! Return if this BC has an albedo.
+  bool has_albedo() const { return (albedo_ > 0.0); }
+
+private:
+  double albedo_ = -1.0;
 };
 
 //==============================================================================
diff --git a/include/openmc/surface.h b/include/openmc/surface.h
index 4c97a0514..3bb84c6e0 100644
--- a/include/openmc/surface.h
+++ b/include/openmc/surface.h
@@ -83,10 +83,10 @@ struct BoundingBox {
 
 class Surface {
 public:
-  int id_;                                          //!< Unique ID
-  std::string name_;                                //!< User-defined name
-  std::shared_ptr<BoundaryCondition> bc_ {nullptr}; //!< Boundary condition
-  GeometryType geom_type_;   //!< Geometry type indicator (CSG or DAGMC)
+  int id_;                           //!< Unique ID
+  std::string name_;                 //!< User-defined name
+  unique_ptr<BoundaryCondition> bc_; //!< Boundary condition
+  GeometryType geom_type_;           //!< Geometry type indicator (CSG or DAGMC)
   bool surf_source_ {false}; //!< Activate source banking for the surface?
 
   explicit Surface(pugi::xml_node surf_node);
diff --git a/openmc/model/funcs.py b/openmc/model/funcs.py
index cbf356651..d185c13df 100644
--- a/openmc/model/funcs.py
+++ b/openmc/model/funcs.py
@@ -109,14 +109,16 @@ def borated_water(boron_ppm, temperature=293., pressure=0.1013, temp_unit='K',
 
 
 # Define function to create a plane on given axis
-def _plane(axis, name, value, boundary_type='transmission'):
+def _plane(axis, name, value, boundary_type='transmission', albedo=1.):
         cls = getattr(openmc, f'{axis.upper()}Plane')
         return cls(value, name=f'{name} {axis}',
-                   boundary_type=boundary_type)
+                   boundary_type=boundary_type,
+                   albedo=albedo)
 
 
 def rectangular_prism(width, height, axis='z', origin=(0., 0.),
-                      boundary_type='transmission', corner_radius=0.):
+                      boundary_type='transmission', albedo=1.,
+                      corner_radius=0.):
     """Get an infinite rectangular prism from four planar surfaces.
 
     .. versionchanged:: 0.11
@@ -138,9 +140,14 @@ def rectangular_prism(width, height, axis='z', origin=(0., 0.),
         Origin of the prism. The two floats correspond to (y,z), (x,z) or
         (x,y) for prisms parallel to the x, y or z axis, respectively.
         Defaults to (0., 0.).
-    boundary_type : {'transmission, 'vacuum', 'reflective', 'periodic'}
+    boundary_type : {'transmission, 'vacuum', 'reflective', 'periodic', 'white'}
         Boundary condition that defines the behavior for particles hitting the
         surfaces comprising the rectangular prism (default is 'transmission').
+    albedo : float, optional
+        Albedo of the prism's surfaces as a ratio of particle weight after
+        interaction with the surface to the initial weight. Values must be
+        positive. Only applicable if the boundary type is 'reflective',
+        'periodic', or 'white'.
     corner_radius: float
         Prism corner radius in units of cm. Defaults to 0.
 
@@ -153,6 +160,7 @@ def rectangular_prism(width, height, axis='z', origin=(0., 0.),
 
     check_type('width', width, Real)
     check_type('height', height, Real)
+    check_type('albedo', albedo, Real)
     check_type('corner_radius', corner_radius, Real)
     check_value('axis', axis, ['x', 'y', 'z'])
     check_type('origin', origin, Iterable, Real)
@@ -167,15 +175,14 @@ def rectangular_prism(width, height, axis='z', origin=(0., 0.),
     # Get cylinder class corresponding to given axis
     cyl = getattr(openmc, f'{axis.upper()}Cylinder')
 
+    # Create container for boundary arguments
+    bc_args = {'boundary_type': boundary_type, 'albedo': albedo}
+
     # Create rectangular region
-    min_x1 = _plane(x1, 'minimum', -width/2 + origin[0],
-                    boundary_type=boundary_type)
-    max_x1 = _plane(x1, 'maximum', width/2 + origin[0],
-                    boundary_type=boundary_type)
-    min_x2 = _plane(x2, 'minimum', -height/2 + origin[1],
-                    boundary_type=boundary_type)
-    max_x2 = _plane(x2, 'maximum', height/2 + origin[1],
-                    boundary_type=boundary_type)
+    min_x1 = _plane(x1, 'minimum', -width/2 + origin[0], **bc_args)
+    max_x1 = _plane(x1, 'maximum', width/2 + origin[0], **bc_args)
+    min_x2 = _plane(x2, 'minimum', -height/2 + origin[1], **bc_args)
+    max_x2 = _plane(x2, 'maximum', height/2 + origin[1], **bc_args)
     if boundary_type == 'periodic':
         min_x1.periodic_surface = max_x1
         min_x2.periodic_surface = max_x2
@@ -187,7 +194,7 @@ def rectangular_prism(width, height, axis='z', origin=(0., 0.),
             raise ValueError('Periodic boundary conditions not permitted when '
                              'rounded corners are used.')
 
-        args = {'r': corner_radius, 'boundary_type': boundary_type}
+        args = {'r': corner_radius, 'boundary_type': boundary_type, 'albedo' : albedo}
 
         args[x1 + '0'] = origin[0] - width/2 + corner_radius
         args[x2 + '0'] = origin[1] - height/2 + corner_radius
@@ -210,13 +217,13 @@ def rectangular_prism(width, height, axis='z', origin=(0., 0.),
         x1_max_x2_max = cyl(name='{} max {} max'.format(x1, x2), **args)
 
         x1_min = _plane(x1, 'min', -width/2 + origin[0] + corner_radius,
-                        boundary_type=boundary_type)
+                        **bc_args)
         x1_max = _plane(x1, 'max', width/2 + origin[0] - corner_radius,
-                        boundary_type=boundary_type)
+                        **bc_args)
         x2_min = _plane(x2, 'min', -height/2 + origin[1] + corner_radius,
-                        boundary_type=boundary_type)
+                        **bc_args)
         x2_max = _plane(x2, 'max', height/2 + origin[1] - corner_radius,
-                        boundary_type=boundary_type)
+                        **bc_args)
 
         corners = (+x1_min_x2_min & -x1_min & -x2_min) | \
                   (+x1_min_x2_max & -x1_min & +x2_max) | \
@@ -236,7 +243,7 @@ def get_rectangular_prism(*args, **kwargs):
 
 
 def hexagonal_prism(edge_length=1., orientation='y', origin=(0., 0.),
-                    boundary_type='transmission', corner_radius=0.):
+                    boundary_type='transmission', albedo=1., corner_radius=0.):
     """Create a hexagon region from six surface planes.
 
     .. versionchanged:: 0.11
@@ -253,9 +260,14 @@ def hexagonal_prism(edge_length=1., orientation='y', origin=(0., 0.),
         parallel to the y-axis.
     origin: Iterable of two floats
         Origin of the prism. Defaults to (0., 0.).
-    boundary_type : {'transmission, 'vacuum', 'reflective', 'periodic'}
+    boundary_type : {'transmission, 'vacuum', 'reflective', 'periodic', 'white'}
         Boundary condition that defines the behavior for particles hitting the
         surfaces comprising the hexagonal prism (default is 'transmission').
+    albedo : float, optional
+        Albedo of the prism's surfaces as a ratio of particle weight after
+        interaction with the surface to the initial weight. Values must be
+        positive. Only applicable if the boundary type is 'reflective',
+        'periodic', or 'white'.
     corner_radius: float
         Prism corner radius in units of cm. Defaults to 0.
 
@@ -266,25 +278,35 @@ def hexagonal_prism(edge_length=1., orientation='y', origin=(0., 0.),
 
     """
 
+    check_type('edge_length', edge_length, Real)
+    check_type('albedo', albedo, Real)
+    check_type('corner_radius', corner_radius, Real)
+    check_value('orientation', orientation, ['x', 'y'])
+    check_type('origin', origin, Iterable, Real)
+
     l = edge_length
     x, y = origin
 
+
+    # Create container for boundary arguments
+    bc_args = {'boundary_type': boundary_type, 'albedo' : albedo}
+
     if orientation == 'y':
-        right = openmc.XPlane(x + sqrt(3.)/2*l, boundary_type=boundary_type)
-        left = openmc.XPlane(x - sqrt(3.)/2*l, boundary_type=boundary_type)
+        right = openmc.XPlane(x + sqrt(3.)/2*l, **bc_args)
+        left = openmc.XPlane(x - sqrt(3.)/2*l, **bc_args)
         c = sqrt(3.)/3.
 
         # y = -x/sqrt(3) + a
-        upper_right = Plane(a=c, b=1., d=l+x*c+y, boundary_type=boundary_type)
+        upper_right = Plane(a=c, b=1., d=l+x*c+y, **bc_args)
 
         # y = x/sqrt(3) + a
-        upper_left = Plane(a=-c, b=1., d=l-x*c+y, boundary_type=boundary_type)
+        upper_left = Plane(a=-c, b=1., d=l-x*c+y, **bc_args)
 
         # y = x/sqrt(3) - a
-        lower_right = Plane(a=-c, b=1., d=-l-x*c+y, boundary_type=boundary_type)
+        lower_right = Plane(a=-c, b=1., d=-l-x*c+y, **bc_args)
 
         # y = -x/sqrt(3) - a
-        lower_left = Plane(a=c, b=1., d=-l+x*c+y, boundary_type=boundary_type)
+        lower_left = Plane(a=c, b=1., d=-l+x*c+y, **bc_args)
 
         prism = -right & +left & -upper_right & -upper_left & \
                 +lower_right & +lower_left
@@ -295,22 +317,21 @@ def hexagonal_prism(edge_length=1., orientation='y', origin=(0., 0.),
             lower_right.periodic_surface = upper_left
 
     elif orientation == 'x':
-        top = openmc.YPlane(y0=y + sqrt(3.)/2*l, boundary_type=boundary_type)
-        bottom = openmc.YPlane(y0=y - sqrt(3.)/2*l, boundary_type=boundary_type)
+        top = openmc.YPlane(y0=y + sqrt(3.)/2*l, **bc_args)
+        bottom = openmc.YPlane(y0=y - sqrt(3.)/2*l, **bc_args)
         c = sqrt(3.)
 
         # y = -sqrt(3)*(x - a)
-        upper_right = Plane(a=c, b=1., d=c*l+x*c+y, boundary_type=boundary_type)
+        upper_right = Plane(a=c, b=1., d=c*l+x*c+y, **bc_args)
 
         # y = sqrt(3)*(x + a)
-        lower_right = Plane(a=-c, b=1., d=-c*l-x*c+y,
-                            boundary_type=boundary_type)
+        lower_right = Plane(a=-c, b=1., d=-c*l-x*c+y, **bc_args)
 
         # y = -sqrt(3)*(x + a)
-        lower_left = Plane(a=c, b=1., d=-c*l+x*c+y, boundary_type=boundary_type)
+        lower_left = Plane(a=c, b=1., d=-c*l+x*c+y, **bc_args)
 
         # y = sqrt(3)*(x + a)
-        upper_left = Plane(a=-c, b=1., d=c*l-x*c+y, boundary_type=boundary_type)
+        upper_left = Plane(a=-c, b=1., d=c*l-x*c+y, **bc_args)
 
         prism = -top & +bottom & -upper_right & +lower_right & \
                             +lower_left & -upper_left
@@ -329,11 +350,9 @@ def hexagonal_prism(edge_length=1., orientation='y', origin=(0., 0.),
         c = sqrt(3.)/2
         t = l - corner_radius/c
 
-        # Cylinder with corner radius and boundary type pre-applied
-        cyl1 = partial(openmc.ZCylinder, r=corner_radius,
-                       boundary_type=boundary_type)
-        cyl2 = partial(openmc.ZCylinder, r=corner_radius/(2*c),
-                       boundary_type=boundary_type)
+        # Cylinder with corner radius and boundary conditions pre-applied
+        cyl1 = partial(openmc.ZCylinder, r=corner_radius, **bc_args)
+        cyl2 = partial(openmc.ZCylinder, r=corner_radius/(2*c), **bc_args)
 
         if orientation == 'x':
             x_min_y_min_in = cyl1(name='x min y min in', x0=x-t/2, y0=y-c*t)
diff --git a/openmc/surface.py b/openmc/surface.py
index dc1068b22..a684f83fe 100644
--- a/openmc/surface.py
+++ b/openmc/surface.py
@@ -8,13 +8,14 @@ from warnings import warn, catch_warnings, simplefilter
 
 import numpy as np
 
-from .checkvalue import check_type, check_value, check_length
+from .checkvalue import check_type, check_value, check_length, check_greater_than
 from .mixin import IDManagerMixin, IDWarning
 from .region import Region, Intersection, Union
 from .bounding_box import BoundingBox
 
 
 _BOUNDARY_TYPES = ['transmission', 'vacuum', 'reflective', 'periodic', 'white']
+_ALBEDO_BOUNDARIES = ['reflective', 'periodic', 'white']
 
 _WARNING_UPPER = """\
 "{}(...) accepts an argument named '{}', not '{}'. Future versions of OpenMC \
@@ -123,6 +124,10 @@ class Surface(IDManagerMixin, ABC):
         freely pass through the surface. Note that periodic boundary conditions
         can only be applied to x-, y-, and z-planes, and only axis-aligned
         periodicity is supported.
+    albedo : float, optional
+        Albedo of the surfaces as a ratio of particle weight after interaction
+        with the surface to the initial weight. Values must be positive. Only
+        applicable if the boundary type is 'reflective', 'periodic', or 'white'.
     name : str, optional
         Name of the surface. If not specified, the name will be the empty
         string.
@@ -132,6 +137,8 @@ class Surface(IDManagerMixin, ABC):
     boundary_type : {'transmission, 'vacuum', 'reflective', 'periodic', 'white'}
         Boundary condition that defines the behavior for particles hitting the
         surface.
+    albedo : float
+        Boundary albedo as a positive multiplier of particle weight
     coefficients : dict
         Dictionary of surface coefficients
     id : int
@@ -147,10 +154,12 @@ class Surface(IDManagerMixin, ABC):
     used_ids = set()
     _atol = 1.e-12
 
-    def __init__(self, surface_id=None, boundary_type='transmission', name=''):
+    def __init__(self, surface_id=None, boundary_type='transmission',
+                 albedo=1., name=''):
         self.id = surface_id
         self.name = name
         self.boundary_type = boundary_type
+        self.albedo = albedo
 
         # A dictionary of the quadratic surface coefficients
         # Key      - coefficient name
@@ -165,15 +174,20 @@ class Surface(IDManagerMixin, ABC):
 
     def __repr__(self):
         string = 'Surface\n'
-        string += '{0: <16}{1}{2}\n'.format('\tID', '=\t', self._id)
-        string += '{0: <16}{1}{2}\n'.format('\tName', '=\t', self._name)
-        string += '{0: <16}{1}{2}\n'.format('\tType', '=\t', self._type)
-        string += '{0: <16}{1}{2}\n'.format('\tBoundary', '=\t', self._boundary_type)
+        string += '{0: <20}{1}{2}\n'.format('\tID', '=\t', self._id)
+        string += '{0: <20}{1}{2}\n'.format('\tName', '=\t', self._name)
+        string += '{0: <20}{1}{2}\n'.format('\tType', '=\t', self._type)
+        string += '{0: <20}{1}{2}\n'.format('\tBoundary', '=\t',
+                                            self._boundary_type)
+        if (self._boundary_type in _ALBEDO_BOUNDARIES and
+            not math.isclose(self._albedo, 1.0)):
+            string += '{0: <20}{1}{2}\n'.format('\tBoundary Albedo', '=\t',
+                                                self._albedo)
 
-        coefficients = '{0: <16}'.format('\tCoefficients') + '\n'
+        coefficients = '{0: <20}'.format('\tCoefficients') + '\n'
 
         for coeff in self._coefficients:
-            coefficients += '{0: <16}{1}{2}\n'.format(
+            coefficients += '{0: <20}{1}{2}\n'.format(
                 coeff, '=\t', self._coefficients[coeff])
 
         string += coefficients
@@ -206,6 +220,16 @@ class Surface(IDManagerMixin, ABC):
         check_value('boundary type', boundary_type, _BOUNDARY_TYPES)
         self._boundary_type = boundary_type
 
+    @property
+    def albedo(self):
+        return self._albedo
+
+    @albedo.setter
+    def albedo(self, albedo):
+        check_type('albedo', albedo, Real)
+        check_greater_than('albedo', albedo, 0.0)
+        self._albedo = float(albedo)
+
     @property
     def coefficients(self):
         return self._coefficients
@@ -402,6 +426,9 @@ class Surface(IDManagerMixin, ABC):
         element.set("type", self._type)
         if self.boundary_type != 'transmission':
             element.set("boundary", self.boundary_type)
+            if (self.boundary_type in _ALBEDO_BOUNDARIES and
+                not math.isclose(self.albedo, 1.0)):
+                element.set("albedo", str(self.albedo))
         element.set("coeffs", ' '.join([str(self._coefficients.setdefault(key, 0.0))
                                         for key in self._coeff_keys]))
 
@@ -427,10 +454,12 @@ class Surface(IDManagerMixin, ABC):
         surf_type = elem.get('type')
         cls = _SURFACE_CLASSES[surf_type]
 
-        # Determine ID, boundary type, coefficients
+        # Determine ID, boundary type, boundary albedo, coefficients
         kwargs = {}
         kwargs['surface_id'] = int(elem.get('id'))
         kwargs['boundary_type'] = elem.get('boundary', 'transmission')
+        if kwargs['boundary_type'] in _ALBEDO_BOUNDARIES:
+            kwargs['albedo'] = float(elem.get('albedo', 1.0))
         kwargs['name'] = elem.get('name')
         coeffs = [float(x) for x in elem.get('coeffs').split()]
         kwargs.update(dict(zip(cls._coeff_keys, coeffs)))
@@ -462,8 +491,13 @@ class Surface(IDManagerMixin, ABC):
         name = group['name'][()].decode() if 'name' in group else ''
 
         bc = group['boundary_type'][()].decode()
+        if 'albedo' in group:
+            bc_alb = float(group['albedo'][()].decode())
+        else:
+            bc_alb = 1.0
         coeffs = group['coefficients'][...]
-        kwargs = {'boundary_type': bc, 'name': name, 'surface_id': surface_id}
+        kwargs = {'boundary_type': bc, 'albedo': bc_alb, 'name': name,
+                  'surface_id': surface_id}
 
         surf_type = group['type'][()].decode()
         cls = _SURFACE_CLASSES[surf_type]
@@ -607,7 +641,9 @@ class PlaneMixin:
         # Compute new rotated coefficients a, b, c
         a, b, c = Rmat @ [a, b, c]
 
-        kwargs = {'boundary_type': surf.boundary_type, 'name': surf.name}
+        kwargs = {'boundary_type': surf.boundary_type,
+                  'albedo': surf.albedo,
+                  'name': surf.name}
         if inplace:
             kwargs['surface_id'] = surf.id
 
@@ -651,6 +687,10 @@ class Plane(PlaneMixin, Surface):
         Boundary condition that defines the behavior for particles hitting the
         surface. Defaults to transmissive boundary condition where particles
         freely pass through the surface.
+    albedo : float, optional
+        Albedo of the surfaces as a ratio of particle weight after interaction
+        with the surface to the initial weight. Values must be positive. Only
+        applicable if the boundary type is 'reflective', 'periodic', or 'white'.
     name : str, optional
         Name of the plane. If not specified, the name will be the empty string.
     surface_id : int, optional
@@ -670,6 +710,8 @@ class Plane(PlaneMixin, Surface):
     boundary_type : {'transmission, 'vacuum', 'reflective', 'periodic', 'white'}
         Boundary condition that defines the behavior for particles hitting the
         surface.
+    albedo : float
+        Boundary albedo as a positive multiplier of particle weight
     periodic_surface : openmc.Surface
         If a periodic boundary condition is used, the surface with which this
         one is periodic with
@@ -774,6 +816,10 @@ class XPlane(PlaneMixin, Surface):
         surface. Defaults to transmissive boundary condition where particles
         freely pass through the surface. Only axis-aligned periodicity is
         supported, i.e., x-planes can only be paired with x-planes.
+    albedo : float, optional
+        Albedo of the surfaces as a ratio of particle weight after interaction
+        with the surface to the initial weight. Values must be positive. Only
+        applicable if the boundary type is 'reflective', 'periodic', or 'white'.
     name : str, optional
         Name of the plane. If not specified, the name will be the empty string.
     surface_id : int, optional
@@ -787,6 +833,8 @@ class XPlane(PlaneMixin, Surface):
     boundary_type : {'transmission, 'vacuum', 'reflective', 'periodic', 'white'}
         Boundary condition that defines the behavior for particles hitting the
         surface.
+    albedo : float
+        Boundary albedo as a positive multiplier of particle weight
     periodic_surface : openmc.Surface
         If a periodic boundary condition is used, the surface with which this
         one is periodic with
@@ -832,7 +880,11 @@ class YPlane(PlaneMixin, Surface):
         Boundary condition that defines the behavior for particles hitting the
         surface. Defaults to transmissive boundary condition where particles
         freely pass through the surface. Only axis-aligned periodicity is
-        supported, i.e., x-planes can only be paired with x-planes.
+        supported, i.e., y-planes can only be paired with y-planes.
+    albedo : float, optional
+        Albedo of the surfaces as a ratio of particle weight after interaction
+        with the surface to the initial weight. Values must be positive. Only
+        applicable if the boundary type is 'reflective', 'periodic', or 'white'.
     name : str, optional
         Name of the plane. If not specified, the name will be the empty string.
     surface_id : int, optional
@@ -846,6 +898,8 @@ class YPlane(PlaneMixin, Surface):
     boundary_type : {'transmission, 'vacuum', 'reflective', 'periodic', 'white'}
         Boundary condition that defines the behavior for particles hitting the
         surface.
+    albedo : float
+        Boundary albedo as a positive multiplier of particle weight
     periodic_surface : openmc.Surface
         If a periodic boundary condition is used, the surface with which this
         one is periodic with
@@ -891,7 +945,11 @@ class ZPlane(PlaneMixin, Surface):
         Boundary condition that defines the behavior for particles hitting the
         surface. Defaults to transmissive boundary condition where particles
         freely pass through the surface. Only axis-aligned periodicity is
-        supported, i.e., x-planes can only be paired with x-planes.
+        supported, i.e., z-planes can only be paired with z-planes.
+    albedo : float, optional
+        Albedo of the surfaces as a ratio of particle weight after interaction
+        with the surface to the initial weight. Values must be positive. Only
+        applicable if the boundary type is 'reflective', 'periodic', or 'white'.
     name : str, optional
         Name of the plane. If not specified, the name will be the empty string.
     surface_id : int, optional
@@ -905,6 +963,8 @@ class ZPlane(PlaneMixin, Surface):
     boundary_type : {'transmission, 'vacuum', 'reflective', 'periodic', 'white'}
         Boundary condition that defines the behavior for particles hitting the
         surface.
+    albedo : float
+        Boundary albedo as a positive multiplier of particle weight
     periodic_surface : openmc.Surface
         If a periodic boundary condition is used, the surface with which this
         one is periodic with
@@ -1076,7 +1136,8 @@ class QuadricMixin:
         else:
             base_cls = type(tsurf)._virtual_base
             # Copy necessary surface attributes to new kwargs dictionary
-            kwargs = {'boundary_type': tsurf.boundary_type, 'name': tsurf.name}
+            kwargs = {'boundary_type': tsurf.boundary_type,
+                      'albedo': tsurf.albedo, 'name': tsurf.name}
             if inplace:
                 kwargs['surface_id'] = tsurf.id
             kwargs.update({k: getattr(tsurf, k) for k in base_cls._coeff_keys})
@@ -1133,6 +1194,10 @@ class Cylinder(QuadricMixin, Surface):
         Boundary condition that defines the behavior for particles hitting the
         surface. Defaults to transmissive boundary condition where particles
         freely pass through the surface.
+    albedo : float, optional
+        Albedo of the surfaces as a ratio of particle weight after interaction
+        with the surface to the initial weight. Values must be positive. Only
+        applicable if the boundary type is 'reflective', 'periodic', or 'white'.
     name : str, optional
         Name of the cylinder. If not specified, the name will be the empty
         string.
@@ -1159,6 +1224,8 @@ class Cylinder(QuadricMixin, Surface):
     boundary_type : {'transmission, 'vacuum', 'reflective', 'white'}
         Boundary condition that defines the behavior for particles hitting the
         surface.
+    albedo : float
+        Boundary albedo as a positive multiplier of particle weight
     coefficients : dict
         Dictionary of surface coefficients
     id : int
@@ -1280,8 +1347,8 @@ class Cylinder(QuadricMixin, Surface):
         # since the C++ layer doesn't support Cylinders right now
         with catch_warnings():
             simplefilter('ignore', IDWarning)
-            kwargs = {'boundary_type': self.boundary_type, 'name': self.name,
-                      'surface_id': self.id}
+            kwargs = {'boundary_type': self.boundary_type, 'albedo': self.albedo,
+                      'name': self.name, 'surface_id': self.id}
             quad_rep = Quadric(*self._get_base_coeffs(), **kwargs)
         return quad_rep.to_xml_element()
 
@@ -1302,6 +1369,10 @@ class XCylinder(QuadricMixin, Surface):
         Boundary condition that defines the behavior for particles hitting the
         surface. Defaults to transmissive boundary condition where particles
         freely pass through the surface.
+    albedo : float, optional
+        Albedo of the surfaces as a ratio of particle weight after interaction
+        with the surface to the initial weight. Values must be positive. Only
+        applicable if the boundary type is 'reflective', 'periodic', or 'white'.
     name : str, optional
         Name of the cylinder. If not specified, the name will be the empty
         string.
@@ -1320,6 +1391,8 @@ class XCylinder(QuadricMixin, Surface):
     boundary_type : {'transmission, 'vacuum', 'reflective', 'white'}
         Boundary condition that defines the behavior for particles hitting the
         surface.
+    albedo : float
+        Boundary albedo as a positive multiplier of particle weight
     coefficients : dict
         Dictionary of surface coefficients
     id : int
@@ -1394,6 +1467,10 @@ class YCylinder(QuadricMixin, Surface):
         Boundary condition that defines the behavior for particles hitting the
         surface. Defaults to transmissive boundary condition where particles
         freely pass through the surface.
+    albedo : float, optional
+        Albedo of the surfaces as a ratio of particle weight after interaction
+        with the surface to the initial weight. Values must be positive. Only
+        applicable if the boundary type is 'reflective', 'periodic', or 'white'.
     name : str, optional
         Name of the cylinder. If not specified, the name will be the empty
         string.
@@ -1412,6 +1489,8 @@ class YCylinder(QuadricMixin, Surface):
     boundary_type : {'transmission, 'vacuum', 'reflective', 'white'}
         Boundary condition that defines the behavior for particles hitting the
         surface.
+    albedo : float
+        Boundary albedo as a positive multiplier of particle weight
     coefficients : dict
         Dictionary of surface coefficients
     id : int
@@ -1486,6 +1565,10 @@ class ZCylinder(QuadricMixin, Surface):
         Boundary condition that defines the behavior for particles hitting the
         surface. Defaults to transmissive boundary condition where particles
         freely pass through the surface.
+    albedo : float, optional
+        Albedo of the surfaces as a ratio of particle weight after interaction
+        with the surface to the initial weight. Values must be positive. Only
+        applicable if the boundary type is 'reflective', 'periodic', or 'white'.
     name : str, optional
         Name of the cylinder. If not specified, the name will be the empty
         string.
@@ -1504,6 +1587,8 @@ class ZCylinder(QuadricMixin, Surface):
     boundary_type : {'transmission, 'vacuum', 'reflective', 'white'}
         Boundary condition that defines the behavior for particles hitting the
         surface.
+    albedo : float
+        Boundary albedo as a positive multiplier of particle weight
     coefficients : dict
         Dictionary of surface coefficients
     id : int
@@ -1579,6 +1664,10 @@ class Sphere(QuadricMixin, Surface):
         Boundary condition that defines the behavior for particles hitting the
         surface. Defaults to transmissive boundary condition where particles
         freely pass through the surface.
+    albedo : float, optional
+        Albedo of the surfaces as a ratio of particle weight after interaction
+        with the surface to the initial weight. Values must be positive. Only
+        applicable if the boundary type is 'reflective', 'periodic', or 'white'.
     name : str, optional
         Name of the sphere. If not specified, the name will be the empty string.
     surface_id : int, optional
@@ -1598,6 +1687,8 @@ class Sphere(QuadricMixin, Surface):
     boundary_type : {'transmission, 'vacuum', 'reflective', 'white'}
         Boundary condition that defines the behavior for particles hitting the
         surface.
+    albedo : float
+        Boundary albedo as a positive multiplier of particle weight
     coefficients : dict
         Dictionary of surface coefficients
     id : int
@@ -1683,6 +1774,11 @@ class Cone(QuadricMixin, Surface):
         Boundary condition that defines the behavior for particles hitting the
         surface. Defaults to transmissive boundary condition where particles
         freely pass through the surface.
+    albedo : float, optional
+        Albedo of the surfaces as a ratio of particle weight after interaction
+        with the surface to the initial weight. Values must be positive. Only
+        applicable if the boundary type is 'reflective', 'periodic', or 'white'.
+
     name : str
         Name of the cone. If not specified, the name will be the empty string.
 
@@ -1705,6 +1801,8 @@ class Cone(QuadricMixin, Surface):
     boundary_type : {'transmission, 'vacuum', 'reflective', 'white'}
         Boundary condition that defines the behavior for particles hitting the
         surface.
+    albedo : float
+        Boundary albedo as a positive multiplier of particle weight
     coefficients : dict
         Dictionary of surface coefficients
     id : int
@@ -1790,7 +1888,9 @@ class Cone(QuadricMixin, Surface):
         # since the C++ layer doesn't support Cones right now
         with catch_warnings():
             simplefilter('ignore', IDWarning)
-            kwargs = {'boundary_type': self.boundary_type, 'name': self.name,
+            kwargs = {'boundary_type': self.boundary_type,
+                      'albedo': self.albedo,
+                      'name': self.name,
                       'surface_id': self.id}
             quad_rep = Quadric(*self._get_base_coeffs(), **kwargs)
         return quad_rep.to_xml_element()
@@ -1814,6 +1914,10 @@ class XCone(QuadricMixin, Surface):
         Boundary condition that defines the behavior for particles hitting the
         surface. Defaults to transmissive boundary condition where particles
         freely pass through the surface.
+    albedo : float, optional
+        Albedo of the surfaces as a ratio of particle weight after interaction
+        with the surface to the initial weight. Values must be positive. Only
+        applicable if the boundary type is 'reflective', 'periodic', or 'white'.
     name : str, optional
         Name of the cone. If not specified, the name will be the empty string.
     surface_id : int, optional
@@ -1833,6 +1937,8 @@ class XCone(QuadricMixin, Surface):
     boundary_type : {'transmission, 'vacuum', 'reflective', 'white'}
         Boundary condition that defines the behavior for particles hitting the
         surface.
+    albedo : float
+        Boundary albedo as a positive multiplier of particle weight
     coefficients : dict
         Dictionary of surface coefficients
     id : int
@@ -1903,6 +2009,10 @@ class YCone(QuadricMixin, Surface):
         Boundary condition that defines the behavior for particles hitting the
         surface. Defaults to transmissive boundary condition where particles
         freely pass through the surface.
+    albedo : float, optional
+        Albedo of the surfaces as a ratio of particle weight after interaction
+        with the surface to the initial weight. Values must be positive. Only
+        applicable if the boundary type is 'reflective', 'periodic', or 'white'.
     name : str, optional
         Name of the cone. If not specified, the name will be the empty string.
     surface_id : int, optional
@@ -1922,6 +2032,8 @@ class YCone(QuadricMixin, Surface):
     boundary_type : {'transmission, 'vacuum', 'reflective', 'white'}
         Boundary condition that defines the behavior for particles hitting the
         surface.
+    albedo : float
+        Boundary albedo as a positive multiplier of particle weight
     coefficients : dict
         Dictionary of surface coefficients
     id : int
@@ -1992,6 +2104,10 @@ class ZCone(QuadricMixin, Surface):
         Boundary condition that defines the behavior for particles hitting the
         surface. Defaults to transmissive boundary condition where particles
         freely pass through the surface.
+    albedo : float, optional
+        Albedo of the surfaces as a ratio of particle weight after interaction
+        with the surface to the initial weight. Values must be positive. Only
+        applicable if the boundary type is 'reflective', 'periodic', or 'white'.
     name : str, optional
         Name of the cone. If not specified, the name will be the empty string.
     surface_id : int, optional
@@ -2011,6 +2127,8 @@ class ZCone(QuadricMixin, Surface):
     boundary_type : {'transmission, 'vacuum', 'reflective', 'white'}
         Boundary condition that defines the behavior for particles hitting the
         surface.
+    albedo : float
+        Boundary albedo as a positive multiplier of particle weight
     coefficients : dict
         Dictionary of surface coefficients
     id : int
@@ -2075,6 +2193,10 @@ class Quadric(QuadricMixin, Surface):
         Boundary condition that defines the behavior for particles hitting the
         surface. Defaults to transmissive boundary condition where particles
         freely pass through the surface.
+    albedo : float, optional
+        Albedo of the surfaces as a ratio of particle weight after interaction
+        with the surface to the initial weight. Values must be positive. Only
+        applicable if the boundary type is 'reflective', 'periodic', or 'white'.
     name : str, optional
         Name of the surface. If not specified, the name will be the empty string.
     surface_id : int, optional
@@ -2088,6 +2210,8 @@ class Quadric(QuadricMixin, Surface):
     boundary_type : {'transmission, 'vacuum', 'reflective', 'white'}
         Boundary condition that defines the behavior for particles hitting the
         surface.
+    albedo : float
+        Boundary albedo as a positive multiplier of particle weight
     coefficients : dict
         Dictionary of surface coefficients
     id : int
@@ -2183,7 +2307,9 @@ class TorusMixin:
 
         # Create rotated torus
         kwargs = {
-            'boundary_type': surf.boundary_type, 'name': surf.name,
+            'boundary_type': surf.boundary_type,
+            'albedo': surf.albedo,
+            'name': surf.name,
             'a': surf.a, 'b': surf.b, 'c': surf.c
         }
         if inplace:
@@ -2236,6 +2362,8 @@ class XTorus(TorusMixin, Surface):
     boundary_type : {'transmission, 'vacuum', 'reflective', 'white'}
         Boundary condition that defines the behavior for particles hitting the
         surface.
+    albedo : float
+        Boundary albedo as a positive multiplier of particle weight
     coefficients : dict
         Dictionary of surface coefficients
     id : int
@@ -2309,6 +2437,8 @@ class YTorus(TorusMixin, Surface):
     boundary_type : {'transmission, 'vacuum', 'reflective', 'white'}
         Boundary condition that defines the behavior for particles hitting the
         surface.
+    albedo : float
+        Boundary albedo as a positive multiplier of particle weight
     coefficients : dict
         Dictionary of surface coefficients
     id : int
@@ -2382,6 +2512,8 @@ class ZTorus(TorusMixin, Surface):
     boundary_type : {'transmission, 'vacuum', 'reflective', 'white'}
         Boundary condition that defines the behavior for particles hitting the
         surface.
+    albedo : float
+        Boundary albedo as a positive multiplier of particle weight
     coefficients : dict
         Dictionary of surface coefficients
     id : int
diff --git a/src/boundary_condition.cpp b/src/boundary_condition.cpp
index 5b842399e..42a8e27a1 100644
--- a/src/boundary_condition.cpp
+++ b/src/boundary_condition.cpp
@@ -28,6 +28,9 @@ void ReflectiveBC::handle_particle(Particle& p, const Surface& surf) const
   Direction u = surf.reflect(p.r(), p.u(), &p);
   u /= u.norm();
 
+  // Handle the effects of the surface albedo on the particle's weight.
+  BoundaryCondition::handle_albedo(p, surf);
+
   p.cross_reflective_bc(surf, u);
 }
 
@@ -40,6 +43,9 @@ void WhiteBC::handle_particle(Particle& p, const Surface& surf) const
   Direction u = surf.diffuse_reflect(p.r(), p.u(), p.current_seed());
   u /= u.norm();
 
+  // Handle the effects of the surface albedo on the particle's weight.
+  BoundaryCondition::handle_albedo(p, surf);
+
   p.cross_reflective_bc(surf, u);
 }
 
@@ -130,6 +136,9 @@ void TranslationalPeriodicBC::handle_particle(
       "hitting a surface, but that surface is not recognized by the BC.");
   }
 
+  // Handle the effects of the surface albedo on the particle's weight.
+  BoundaryCondition::handle_albedo(p, surf);
+
   // Pass the new location and surface to the particle.
   p.cross_periodic_bc(surf, new_r, p.u(), new_surface);
 }
@@ -264,6 +273,9 @@ void RotationalPeriodicBC::handle_particle(
   Direction new_u = {
     cos_theta * u.x - sin_theta * u.y, sin_theta * u.x + cos_theta * u.y, u.z};
 
+  // Handle the effects of the surface albedo on the particle's weight.
+  BoundaryCondition::handle_albedo(p, surf);
+
   // Pass the new location, direction, and surface to the particle.
   p.cross_periodic_bc(surf, new_r, new_u, new_surface);
 }
diff --git a/src/dagmc.cpp b/src/dagmc.cpp
index e245d4475..4ffe4e652 100644
--- a/src/dagmc.cpp
+++ b/src/dagmc.cpp
@@ -289,10 +289,10 @@ void DAGUniverse::init_geometry()
         bc_value == "transmission") {
       // set to transmission by default (nullptr)
     } else if (bc_value == "vacuum") {
-      s->bc_ = std::make_shared<VacuumBC>();
+      s->bc_ = make_unique<VacuumBC>();
     } else if (bc_value == "reflective" || bc_value == "reflect" ||
                bc_value == "reflecting") {
-      s->bc_ = std::make_shared<ReflectiveBC>();
+      s->bc_ = make_unique<ReflectiveBC>();
     } else if (bc_value == "periodic") {
       fatal_error("Periodic boundary condition not supported in DAGMC.");
     } else {
@@ -310,7 +310,7 @@ void DAGUniverse::init_geometry()
     // if this surface belongs to the graveyard
     if (graveyard && parent_vols.find(graveyard) != parent_vols.end()) {
       // set graveyard surface BC's to vacuum
-      s->bc_ = std::make_shared<VacuumBC>();
+      s->bc_ = make_unique<VacuumBC>();
     }
 
     // add to global array and map
diff --git a/src/surface.cpp b/src/surface.cpp
index 01e2f275e..394a4b366 100644
--- a/src/surface.cpp
+++ b/src/surface.cpp
@@ -80,19 +80,36 @@ Surface::Surface(pugi::xml_node surf_node)
     if (surf_bc == "transmission" || surf_bc == "transmit" || surf_bc.empty()) {
       // Leave the bc_ a nullptr
     } else if (surf_bc == "vacuum") {
-      bc_ = std::make_shared<VacuumBC>();
+      bc_ = make_unique<VacuumBC>();
     } else if (surf_bc == "reflective" || surf_bc == "reflect" ||
                surf_bc == "reflecting") {
-      bc_ = std::make_shared<ReflectiveBC>();
+      bc_ = make_unique<ReflectiveBC>();
     } else if (surf_bc == "white") {
-      bc_ = std::make_shared<WhiteBC>();
+      bc_ = make_unique<WhiteBC>();
     } else if (surf_bc == "periodic") {
-      // periodic BC's are handled separately
+      // Periodic BCs are handled separately
     } else {
       fatal_error(fmt::format("Unknown boundary condition \"{}\" specified "
                               "on surface {}",
         surf_bc, id_));
     }
+
+    if (check_for_node(surf_node, "albedo") && bc_) {
+      double surf_alb = std::stod(get_node_value(surf_node, "albedo"));
+
+      if (surf_alb < 0.0)
+        fatal_error(fmt::format("Surface {} has an albedo of {}. "
+                                "Albedo values must be positive.",
+          id_, surf_alb));
+
+      if (surf_alb > 1.0)
+        warning(fmt::format("Surface {} has an albedo of {}. "
+                            "Albedos greater than 1 may cause "
+                            "unphysical behaviour.",
+          id_, surf_alb));
+
+      bc_->set_albedo(surf_alb);
+    }
   }
 }
 
@@ -154,6 +171,7 @@ void Surface::to_hdf5(hid_t group_id) const
 
     if (bc_) {
       write_string(surf_group, "boundary_type", bc_->type(), false);
+      bc_->to_hdf5(surf_group);
     } else {
       write_string(surf_group, "boundary_type", "transmission", false);
     }
@@ -1156,9 +1174,10 @@ void read_surfaces(pugi::xml_node node)
   }
 
   // Loop over XML surface elements and populate the array.  Keep track of
-  // periodic surfaces.
+  // periodic surfaces and their albedos.
   model::surfaces.reserve(n_surfaces);
   std::set<std::pair<int, int>> periodic_pairs;
+  std::unordered_map<int, double> albedo_map;
   {
     pugi::xml_node surf_node;
     int i_surf;
@@ -1221,6 +1240,12 @@ void read_surfaces(pugi::xml_node node)
       if (check_for_node(surf_node, "boundary")) {
         std::string surf_bc = get_node_value(surf_node, "boundary", true, true);
         if (surf_bc == "periodic") {
+          // Check for surface albedo. Skip sanity check as it is already done
+          // in the Surface class's constructor.
+          if (check_for_node(surf_node, "albedo")) {
+            albedo_map[model::surfaces.back()->id_] =
+              std::stod(get_node_value(surf_node, "albedo"));
+          }
           if (check_for_node(surf_node, "periodic_surface_id")) {
             int i_periodic =
               std::stoi(get_node_value(surf_node, "periodic_surface_id"));
@@ -1284,7 +1309,7 @@ void read_surfaces(pugi::xml_node node)
     periodic_pairs.erase(second_unresolved);
   }
 
-  // Assign the periodic boundary conditions
+  // Assign the periodic boundary conditions with albedos
   for (auto periodic_pair : periodic_pairs) {
     int i_surf = model::surface_map[periodic_pair.first];
     int j_surf = model::surface_map[periodic_pair.second];
@@ -1302,11 +1327,19 @@ void read_surfaces(pugi::xml_node node)
     // planes are parallel which indicates a translational periodic boundary
     // condition.  Otherwise, it is a rotational periodic BC.
     if (std::abs(1.0 - dot_prod) < FP_PRECISION) {
-      surf1.bc_ = std::make_shared<TranslationalPeriodicBC>(i_surf, j_surf);
-      surf2.bc_ = surf1.bc_;
+      surf1.bc_ = make_unique<TranslationalPeriodicBC>(i_surf, j_surf);
+      surf2.bc_ = make_unique<TranslationalPeriodicBC>(i_surf, j_surf);
     } else {
-      surf1.bc_ = std::make_shared<RotationalPeriodicBC>(i_surf, j_surf);
-      surf2.bc_ = surf1.bc_;
+      surf1.bc_ = make_unique<RotationalPeriodicBC>(i_surf, j_surf);
+      surf2.bc_ = make_unique<RotationalPeriodicBC>(i_surf, j_surf);
+    }
+
+    // If albedo data is present in albedo map, set the boundary albedo.
+    if (albedo_map.count(surf1.id_)) {
+      surf1.bc_->set_albedo(albedo_map[surf1.id_]);
+    }
+    if (albedo_map.count(surf2.id_)) {
+      surf2.bc_->set_albedo(albedo_map[surf2.id_]);
     }
   }
 }
diff --git a/tests/regression_tests/albedo_box/__init__.py b/tests/regression_tests/albedo_box/__init__.py
new file mode 100755
index 000000000..e69de29bb
diff --git a/tests/regression_tests/albedo_box/geometry.xml b/tests/regression_tests/albedo_box/geometry.xml
new file mode 100644
index 000000000..7d0e9b5f5
--- /dev/null
+++ b/tests/regression_tests/albedo_box/geometry.xml
@@ -0,0 +1,13 @@
+<?xml version="1.0"?>
+<geometry>
+
+  <!-- Reflective box with albedo -->
+  <surface id="1" type="x-plane" coeffs="-5" boundary="reflective" albedo="0.952"/>
+  <surface id="2" type="x-plane" coeffs="5" boundary="reflective" albedo="0.952"/>
+  <surface id="3" type="y-plane" coeffs="-5" boundary="reflective" albedo="0.952"/>
+  <surface id="4" type="y-plane" coeffs="5" boundary="reflective" albedo="0.952"/>
+  <surface id="5" type="z-plane" coeffs="-5" boundary="reflective" albedo="0.952"/>
+  <surface id="6" type="z-plane" coeffs="5" boundary="reflective" albedo="0.952"/>
+  <cell id="1" material="1" region="1 -2 3 -4 5 -6" />
+    
+</geometry>
diff --git a/tests/regression_tests/albedo_box/materials.xml b/tests/regression_tests/albedo_box/materials.xml
new file mode 100644
index 000000000..2472a7471
--- /dev/null
+++ b/tests/regression_tests/albedo_box/materials.xml
@@ -0,0 +1,9 @@
+<?xml version="1.0"?>
+<materials>
+
+  <material id="1">
+    <density value="4.5" units="g/cc" />
+    <nuclide name="U235" ao="1.0" />
+  </material>
+
+</materials>
diff --git a/tests/regression_tests/albedo_box/results_true.dat b/tests/regression_tests/albedo_box/results_true.dat
new file mode 100644
index 000000000..0f571f245
--- /dev/null
+++ b/tests/regression_tests/albedo_box/results_true.dat
@@ -0,0 +1,2 @@
+k-combined:
+1.590800E+00 4.251788E-03
diff --git a/tests/regression_tests/albedo_box/settings.xml b/tests/regression_tests/albedo_box/settings.xml
new file mode 100644
index 000000000..cc6668305
--- /dev/null
+++ b/tests/regression_tests/albedo_box/settings.xml
@@ -0,0 +1,9 @@
+<?xml version="1.0"?>
+<settings>
+
+  <run_mode>eigenvalue</run_mode>
+  <batches>10</batches>
+  <inactive>5</inactive>
+  <particles>1000</particles>
+
+</settings>
diff --git a/tests/regression_tests/albedo_box/test.py b/tests/regression_tests/albedo_box/test.py
new file mode 100755
index 000000000..179f58e5b
--- /dev/null
+++ b/tests/regression_tests/albedo_box/test.py
@@ -0,0 +1,6 @@
+from tests.testing_harness import TestHarness
+
+
+def test_albedo_box():
+    harness = TestHarness('statepoint.10.h5')
+    harness.main()

From 94f02ae10bbf11e99f45d5907d98bb46be050c8d Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 31 Oct 2023 16:55:19 -0500
Subject: [PATCH 1977/2654] Bump version to 0.14.0-dev (#2740)

---
 CMakeLists.txt                         | 4 ++--
 docs/source/conf.py                    | 4 ++--
 openmc/__init__.py                     | 2 +-
 openmc/bounding_box.py                 | 2 +-
 openmc/cell.py                         | 2 +-
 openmc/data/library.py                 | 2 +-
 openmc/deplete/abc.py                  | 2 +-
 openmc/deplete/chain.py                | 2 +-
 openmc/deplete/coupled_operator.py     | 2 +-
 openmc/deplete/independent_operator.py | 2 +-
 openmc/deplete/microxs.py              | 4 ++--
 openmc/deplete/openmc_operator.py      | 2 +-
 openmc/deplete/pool.py                 | 2 +-
 openmc/deplete/results.py              | 2 +-
 openmc/deplete/stepresult.py           | 2 +-
 openmc/deplete/transfer_rates.py       | 2 +-
 openmc/geometry.py                     | 2 +-
 openmc/lib/core.py                     | 4 ++--
 openmc/lib/tally.py                    | 2 +-
 openmc/lib/weight_windows.py           | 4 ++--
 openmc/material.py                     | 2 +-
 openmc/mesh.py                         | 8 ++++----
 openmc/mgxs/groups.py                  | 2 +-
 openmc/model/model.py                  | 2 +-
 openmc/model/surface_composite.py      | 2 +-
 openmc/plots.py                        | 4 ++--
 openmc/settings.py                     | 8 ++++----
 openmc/source.py                       | 6 +++---
 openmc/stats/univariate.py             | 4 ++--
 openmc/tallies.py                      | 2 +-
 openmc/universe.py                     | 8 ++++----
 openmc/weight_windows.py               | 2 +-
 32 files changed, 50 insertions(+), 50 deletions(-)

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 69e7ad9a9..d704dba39 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -3,8 +3,8 @@ project(openmc C CXX)
 
 # Set version numbers
 set(OPENMC_VERSION_MAJOR 0)
-set(OPENMC_VERSION_MINOR 13)
-set(OPENMC_VERSION_RELEASE 4)
+set(OPENMC_VERSION_MINOR 14)
+set(OPENMC_VERSION_RELEASE 0)
 set(OPENMC_VERSION ${OPENMC_VERSION_MAJOR}.${OPENMC_VERSION_MINOR}.${OPENMC_VERSION_RELEASE})
 configure_file(include/openmc/version.h.in "${CMAKE_BINARY_DIR}/include/openmc/version.h" @ONLY)
 
diff --git a/docs/source/conf.py b/docs/source/conf.py
index dc5acd5f6..735f01b2f 100644
--- a/docs/source/conf.py
+++ b/docs/source/conf.py
@@ -69,9 +69,9 @@ copyright = '2011-2023, Massachusetts Institute of Technology, UChicago Argonne
 # built documents.
 #
 # The short X.Y version.
-version = "0.13"
+version = "0.14"
 # The full version, including alpha/beta/rc tags.
-release = "0.13.4"
+release = "0.14.0"
 
 # The language for content autogenerated by Sphinx. Refer to documentation
 # for a list of supported languages.
diff --git a/openmc/__init__.py b/openmc/__init__.py
index 5bb150fb0..7da055d6e 100644
--- a/openmc/__init__.py
+++ b/openmc/__init__.py
@@ -39,4 +39,4 @@ from .config import *
 from openmc.model import rectangular_prism, hexagonal_prism, Model
 
 
-__version__ = '0.13.4-dev'
+__version__ = '0.14.0-dev'
diff --git a/openmc/bounding_box.py b/openmc/bounding_box.py
index daa6a318e..b74931d73 100644
--- a/openmc/bounding_box.py
+++ b/openmc/bounding_box.py
@@ -9,7 +9,7 @@ from .checkvalue import check_length
 class BoundingBox:
     """Axis-aligned bounding box.
 
-    .. versionadded:: 0.13.4
+    .. versionadded:: 0.14.0
 
     Parameters
     ----------
diff --git a/openmc/cell.py b/openmc/cell.py
index 9a744910c..956d727d7 100644
--- a/openmc/cell.py
+++ b/openmc/cell.py
@@ -562,7 +562,7 @@ class Cell(IDManagerMixin):
     def plot(self, *args, **kwargs):
         """Display a slice plot of the cell.
 
-        .. versionadded:: 0.13.4
+        .. versionadded:: 0.14.0
 
         Parameters
         ----------
diff --git a/openmc/data/library.py b/openmc/data/library.py
index 210270749..397be3faf 100644
--- a/openmc/data/library.py
+++ b/openmc/data/library.py
@@ -15,7 +15,7 @@ class DataLibrary(list):
     cross section data from a single file. The dictionary has keys 'path',
     'type', and 'materials'.
 
-    .. versionchanged:: 0.13.4
+    .. versionchanged:: 0.14.0
         This class now behaves like a list rather than requiring you to access
         the list of libraries through a special attribute.
 
diff --git a/openmc/deplete/abc.py b/openmc/deplete/abc.py
index 1acfe6b1a..d135b2dae 100644
--- a/openmc/deplete/abc.py
+++ b/openmc/deplete/abc.py
@@ -554,7 +554,7 @@ class Integrator(ABC):
     transfer_rates : openmc.deplete.TransferRates
         Instance of TransferRates class to perform continuous transfer during depletion
 
-        .. versionadded:: 0.13.4
+        .. versionadded:: 0.14.0
 
     """
 
diff --git a/openmc/deplete/chain.py b/openmc/deplete/chain.py
index 4076995d8..dc01a1b34 100644
--- a/openmc/deplete/chain.py
+++ b/openmc/deplete/chain.py
@@ -689,7 +689,7 @@ class Chain:
     def form_rr_term(self, tr_rates, mats):
         """Function to form the transfer rate term matrices.
 
-        .. versionadded:: 0.13.4
+        .. versionadded:: 0.14.0
 
         Parameters
         ----------
diff --git a/openmc/deplete/coupled_operator.py b/openmc/deplete/coupled_operator.py
index 9e6b5fcd3..0d778c745 100644
--- a/openmc/deplete/coupled_operator.py
+++ b/openmc/deplete/coupled_operator.py
@@ -170,7 +170,7 @@ class CoupledOperator(OpenMCOperator):
         equally between the new materials, 'match cell' sets the volume of the
         material to volume of the cell they fill.
 
-        .. versionadded:: 0.13.4
+        .. versionadded:: 0.14.0
 
     Attributes
     ----------
diff --git a/openmc/deplete/independent_operator.py b/openmc/deplete/independent_operator.py
index d089ac373..b45c8ad75 100644
--- a/openmc/deplete/independent_operator.py
+++ b/openmc/deplete/independent_operator.py
@@ -39,7 +39,7 @@ class IndependentOperator(OpenMCOperator):
 
     .. versionadded:: 0.13.1
 
-    .. versionchanged:: 0.13.4
+    .. versionchanged:: 0.14.0
         Arguments updated to include list of fluxes and microscopic cross
         sections.
 
diff --git a/openmc/deplete/microxs.py b/openmc/deplete/microxs.py
index 59c7b18e1..e145bce87 100644
--- a/openmc/deplete/microxs.py
+++ b/openmc/deplete/microxs.py
@@ -33,7 +33,7 @@ def get_microxs_and_flux(
     ) -> Tuple[List[np.ndarray], List[MicroXS]]:
     """Generate a microscopic cross sections and flux from a Model
 
-    .. versionadded:: 0.13.4
+    .. versionadded:: 0.14.0
 
     Parameters
     ----------
@@ -156,7 +156,7 @@ class MicroXS:
 
     .. versionadded:: 0.13.1
 
-    .. versionchanged:: 0.13.4
+    .. versionchanged:: 0.14.0
         Class was heavily refactored and no longer subclasses pandas.DataFrame.
 
     Parameters
diff --git a/openmc/deplete/openmc_operator.py b/openmc/deplete/openmc_operator.py
index 766fbf133..74dbf8fee 100644
--- a/openmc/deplete/openmc_operator.py
+++ b/openmc/deplete/openmc_operator.py
@@ -64,7 +64,7 @@ class OpenMCOperator(TransportOperator):
         equally between the new materials, 'match cell' sets the volume of the
         material to volume of the cell they fill.
 
-        .. versionadded:: 0.13.4
+        .. versionadded:: 0.14.0
 
     Attributes
     ----------
diff --git a/openmc/deplete/pool.py b/openmc/deplete/pool.py
index 9dc9ea468..27ecaa4dd 100644
--- a/openmc/deplete/pool.py
+++ b/openmc/deplete/pool.py
@@ -66,7 +66,7 @@ def deplete(func, chain, n, rates, dt, matrix_func=None, transfer_rates=None,
     transfer_rates : openmc.deplete.TransferRates, Optional
         Object to perform continuous reprocessing.
 
-        .. versionadded:: 0.13.4
+        .. versionadded:: 0.14.0
     matrix_args: Any, optional
         Additional arguments passed to matrix_func
 
diff --git a/openmc/deplete/results.py b/openmc/deplete/results.py
index d205bf571..652896ab5 100644
--- a/openmc/deplete/results.py
+++ b/openmc/deplete/results.py
@@ -273,7 +273,7 @@ class Results(list):
     ) -> Tuple[np.ndarray, np.ndarray]:
         """Get mass of nuclides over time from a single material
 
-        .. versionadded:: 0.13.4
+        .. versionadded:: 0.14.0
 
         Parameters
         ----------
diff --git a/openmc/deplete/stepresult.py b/openmc/deplete/stepresult.py
index a3aacae41..372f7cf25 100644
--- a/openmc/deplete/stepresult.py
+++ b/openmc/deplete/stepresult.py
@@ -534,7 +534,7 @@ class StepResult:
         path : PathLike
             Path to file to write. Defaults to 'depletion_results.h5'.
 
-            .. versionadded:: 0.13.4
+            .. versionadded:: 0.14.0
         """
         # Get indexing terms
         vol_dict, nuc_list, burn_list, full_burn_list = op.get_results_info()
diff --git a/openmc/deplete/transfer_rates.py b/openmc/deplete/transfer_rates.py
index da0bb338f..01c9b2e35 100644
--- a/openmc/deplete/transfer_rates.py
+++ b/openmc/deplete/transfer_rates.py
@@ -16,7 +16,7 @@ class TransferRates:
     An instance of this class can be passed directly to an instance of one of
     the :class:`openmc.deplete.Integrator` classes.
 
-    .. versionadded:: 0.13.4
+    .. versionadded:: 0.14.0
 
     Parameters
     ----------
diff --git a/openmc/geometry.py b/openmc/geometry.py
index b2b679de3..fb2488f78 100644
--- a/openmc/geometry.py
+++ b/openmc/geometry.py
@@ -738,7 +738,7 @@ class Geometry:
     def plot(self, *args, **kwargs):
         """Display a slice plot of the geometry.
 
-        .. versionadded:: 0.13.4
+        .. versionadded:: 0.14.0
 
         Parameters
         ----------
diff --git a/openmc/lib/core.py b/openmc/lib/core.py
index 8d6442637..25dc65fe8 100644
--- a/openmc/lib/core.py
+++ b/openmc/lib/core.py
@@ -174,7 +174,7 @@ def export_properties(filename=None, output=True):
 def export_weight_windows(filename="weight_windows.h5", output=True):
     """Export weight windows.
 
-    .. versionadded:: 0.13.4
+    .. versionadded:: 0.14.0
 
     Parameters
     ----------
@@ -198,7 +198,7 @@ def export_weight_windows(filename="weight_windows.h5", output=True):
 def import_weight_windows(filename='weight_windows.h5', output=True):
     """Import weight windows.
 
-    .. versionadded:: 0.13.4
+    .. versionadded:: 0.14.0
 
     Parameters
     ----------
diff --git a/openmc/lib/tally.py b/openmc/lib/tally.py
index 417d084a6..d0b34aedc 100644
--- a/openmc/lib/tally.py
+++ b/openmc/lib/tally.py
@@ -183,7 +183,7 @@ class Tally(_FortranObjectWithID):
     multiply_density : bool
         Whether reaction rates should be multiplied by atom density
 
-        .. versionadded:: 0.13.4
+        .. versionadded:: 0.14.0
     nuclides : list of str
         List of nuclides to score results for
     num_realizations : int
diff --git a/openmc/lib/weight_windows.py b/openmc/lib/weight_windows.py
index 2984eb233..d92f01917 100644
--- a/openmc/lib/weight_windows.py
+++ b/openmc/lib/weight_windows.py
@@ -109,7 +109,7 @@ class WeightWindows(_FortranObjectWithID):
     OpenMC library. To obtain a view of a weight windows object with a given ID,
     use the :data:`openmc.lib.weight_windows` mapping.
 
-    .. versionadded:: 0.13.4
+    .. versionadded:: 0.14.0
 
     Parameters
     ----------
@@ -392,4 +392,4 @@ class _WeightWindowsMapping(Mapping):
     def __delitem__(self):
         raise NotImplementedError("WeightWindows object remove not implemented")
 
-weight_windows = _WeightWindowsMapping()
\ No newline at end of file
+weight_windows = _WeightWindowsMapping()
diff --git a/openmc/material.py b/openmc/material.py
index 5af56d64f..6b71f56a8 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -289,7 +289,7 @@ class Material(IDManagerMixin):
         ) -> Optional[Univariate]:
         r"""Return energy distribution of decay photons from unstable nuclides.
 
-        .. versionadded:: 0.13.4
+        .. versionadded:: 0.14.0
 
         Parameters
         ----------
diff --git a/openmc/mesh.py b/openmc/mesh.py
index c0203dcd9..4783bd1e1 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -1521,7 +1521,7 @@ class CylindricalMesh(StructuredMesh):
 
     @property
     def vertices(self):
-        warnings.warn('Cartesian coordinates are returned from this property as of version 0.13.4')
+        warnings.warn('Cartesian coordinates are returned from this property as of version 0.14.0')
         return self._convert_to_cartesian(self.vertices_cylindrical, self.origin)
 
     @property
@@ -1532,7 +1532,7 @@ class CylindricalMesh(StructuredMesh):
 
     @property
     def centroids(self):
-        warnings.warn('Cartesian coordinates are returned from this property as of version 0.13.4')
+        warnings.warn('Cartesian coordinates are returned from this property as of version 0.14.0')
         return self._convert_to_cartesian(self.centroids_cylindrical, self.origin)
 
     @property
@@ -1816,7 +1816,7 @@ class SphericalMesh(StructuredMesh):
 
     @property
     def vertices(self):
-        warnings.warn('Cartesian coordinates are returned from this property as of version 0.13.4')
+        warnings.warn('Cartesian coordinates are returned from this property as of version 0.14.0')
         return self._convert_to_cartesian(self.vertices_spherical, self.origin)
 
     @property
@@ -1827,7 +1827,7 @@ class SphericalMesh(StructuredMesh):
 
     @property
     def centroids(self):
-        warnings.warn('Cartesian coordinates are returned from this property as of version 0.13.4')
+        warnings.warn('Cartesian coordinates are returned from this property as of version 0.14.0')
         return self._convert_to_cartesian(self.centroids_spherical, self.origin)
 
     @property
diff --git a/openmc/mgxs/groups.py b/openmc/mgxs/groups.py
index ef4b78f7e..182402ed7 100644
--- a/openmc/mgxs/groups.py
+++ b/openmc/mgxs/groups.py
@@ -17,7 +17,7 @@ class EnergyGroups:
         The energy group boundaries in [eV] or the name of the group structure
         (Must be a valid key in the openmc.mgxs.GROUP_STRUCTURES dictionary).
 
-        .. versionchanged:: 0.13.4
+        .. versionchanged:: 0.14.0
             Changed to allow a string specifying the group structure name.
 
     Attributes
diff --git a/openmc/model/model.py b/openmc/model/model.py
index 2381fb8ab..a40a79bc9 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -1019,7 +1019,7 @@ class Model:
     def differentiate_depletable_mats(self, diff_volume_method: str):
         """Assign distribmats for each depletable material
 
-        .. versionadded:: 0.13.4
+        .. versionadded:: 0.14.0
 
         Parameters
         ----------
diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index 279f3ed06..918bd8444 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -1232,7 +1232,7 @@ class CruciformPrism(CompositeSurface):
     multiple distances from the center. Equivalent to the 'gcross' derived
     surface in Serpent.
 
-    .. versionadded:: 0.13.4
+    .. versionadded:: 0.14.0
 
     Parameters
     ----------
diff --git a/openmc/plots.py b/openmc/plots.py
index 6afe3ea33..5170a3e7d 100644
--- a/openmc/plots.py
+++ b/openmc/plots.py
@@ -184,7 +184,7 @@ def _get_plot_image(plot, cwd):
 def voxel_to_vtk(voxel_file: PathLike, output: PathLike = 'plot.vti'):
     """Converts a voxel HDF5 file to a VTK file
 
-    .. versionadded:: 0.13.4
+    .. versionadded:: 0.14.0
 
     Parameters
     ----------
@@ -943,7 +943,7 @@ class Plot(PlotBase):
 
         This method runs OpenMC in plotting mode to produce a .vti file.
 
-        .. versionadded:: 0.13.4
+        .. versionadded:: 0.14.0
 
         Parameters
         ----------
diff --git a/openmc/settings.py b/openmc/settings.py
index 91e42a28b..d8f74dd11 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -124,7 +124,7 @@ class Settings:
         Maximum number of particle restart files (per MPI process) to write for
         lost particles.
 
-        .. versionadded:: 0.13.4
+        .. versionadded:: 0.14.0
     no_reduce : bool
         Indicate that all user-defined and global tallies should not be reduced
         across processes in a parallel calculation.
@@ -240,11 +240,11 @@ class Settings:
         Indicates the checkpoints for weight window split/roulettes. Valid keys
         include "collision" and "surface". Values must be of type bool.
 
-        .. versionadded:: 0.13.4
+        .. versionadded:: 0.14.0
     weight_window_generators : WeightWindowGenerator or iterable of WeightWindowGenerator
         Weight windows generation parameters to apply during simulation
 
-        .. versionadded:: 0.13.4
+        .. versionadded:: 0.14.0
 
     create_delayed_neutrons : bool
         Whether delayed neutrons are created in fission.
@@ -258,7 +258,7 @@ class Settings:
     weight_windows_file: Pathlike
         Path to a weight window file to load during simulation initialization
 
-        .. versionadded::0.13.4
+        .. versionadded::0.14.0
     write_initial_source : bool
         Indicate whether to write the initial source distribution to file
     """
diff --git a/openmc/source.py b/openmc/source.py
index 0e17938a8..c95bf87b0 100644
--- a/openmc/source.py
+++ b/openmc/source.py
@@ -154,7 +154,7 @@ class IndependentSource(SourceBase):
     type : str
         Indicator of source type: 'independent'
 
-    .. versionadded:: 0.13.4
+    .. versionadded:: 0.14.0
 
     particle : {'neutron', 'photon'}
         Source particle type
@@ -392,7 +392,7 @@ def Source(*args, **kwargs):
 class CompiledSource(SourceBase):
     """A source based on a compiled shared library
 
-    .. versionadded:: 0.13.4
+    .. versionadded:: 0.14.0
 
     Parameters
     ----------
@@ -500,7 +500,7 @@ class CompiledSource(SourceBase):
 class FileSource(SourceBase):
     """A source based on particles stored in a file
 
-    .. versionadded:: 0.13.4
+    .. versionadded:: 0.14.0
 
     Parameters
     ----------
diff --git a/openmc/stats/univariate.py b/openmc/stats/univariate.py
index 01c55239d..b33f88af8 100644
--- a/openmc/stats/univariate.py
+++ b/openmc/stats/univariate.py
@@ -266,7 +266,7 @@ class Discrete(Univariate):
         function will remove any low-importance points such that :math:`\sum_i
         x_i p_i` is preserved to within some threshold.
 
-        .. versionadded:: 0.13.4
+        .. versionadded:: 0.14.0
 
         Parameters
         ----------
@@ -1281,7 +1281,7 @@ class Mixture(Univariate):
         function will remove any low-importance points such that :math:`\sum_i
         x_i p_i` is preserved to within some threshold.
 
-        .. versionadded:: 0.13.4
+        .. versionadded:: 0.14.0
 
         Parameters
         ----------
diff --git a/openmc/tallies.py b/openmc/tallies.py
index 5de00f43c..b6cd4d139 100644
--- a/openmc/tallies.py
+++ b/openmc/tallies.py
@@ -57,7 +57,7 @@ class Tally(IDManagerMixin):
     multiply_density : bool
         Whether reaction rates should be multiplied by atom density
 
-        .. versionadded:: 0.13.4
+        .. versionadded:: 0.14.0
     filters : list of openmc.Filter
         List of specified filters for the tally
     nuclides : list of str
diff --git a/openmc/universe.py b/openmc/universe.py
index 44f95c1d2..bc122b03d 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -349,19 +349,19 @@ class Universe(UniverseBase):
         legend : bool
             Whether a legend showing material or cell names should be drawn
 
-            .. versionadded:: 0.13.4
+            .. versionadded:: 0.14.0
         legend_kwargs : dict
             Keyword arguments passed to :func:`matplotlib.pyplot.legend`.
 
-            .. versionadded:: 0.13.4
+            .. versionadded:: 0.14.0
         outline : bool
             Whether outlines between color boundaries should be drawn
 
-            .. versionadded:: 0.13.4
+            .. versionadded:: 0.14.0
         axis_units : {'km', 'm', 'cm', 'mm'}
             Units used on the plot axis
 
-            .. versionadded:: 0.13.4
+            .. versionadded:: 0.14.0
         **kwargs
             Keyword arguments passed to :func:`matplotlib.pyplot.imshow`
 
diff --git a/openmc/weight_windows.py b/openmc/weight_windows.py
index c7649079b..2b545a976 100644
--- a/openmc/weight_windows.py
+++ b/openmc/weight_windows.py
@@ -922,7 +922,7 @@ class WeightWindowGenerator:
 def hdf5_to_wws(path='weight_windows.h5'):
     """Create WeightWindows instances from a weight windows HDF5 file
 
-    .. versionadded:: 0.13.4
+    .. versionadded:: 0.14.0
 
     Parameters
     ----------

From ac941f79e07a01db613f90c515d7609c86b7c761 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 1 Nov 2023 09:13:40 -0500
Subject: [PATCH 1978/2654] Add RectangularPrism and HexagonalPrism composite
 surfaces (#2739)

Co-authored-by: Patrick Shriwise <pshriwise@gmail.com>
---
 docs/source/pythonapi/model.rst               |   4 +-
 docs/source/usersguide/geometry.rst           |  13 +-
 examples/assembly/assembly.py                 |   4 +-
 examples/custom_source/build_xml.py           |   4 +-
 .../parameterized_custom_source/build_xml.py  |   4 +-
 examples/pincell/build_xml.py                 |   4 +-
 examples/pincell_depletion/run_depletion.py   |   4 +-
 examples/pincell_multigroup/build_xml.py      |   4 +-
 openmc/__init__.py                            |   2 +-
 openmc/model/funcs.py                         | 306 +----------------
 openmc/model/surface_composite.py             | 311 +++++++++++++++++-
 openmc/region.py                              |  11 +-
 .../adj_cell_rotation/test.py                 |   6 +-
 tests/regression_tests/cpp_driver/test.py     |   7 +-
 .../deplete_decay_only/test.py                |   4 +-
 .../filter_cellinstance/test.py               |   4 +-
 tests/regression_tests/filter_mesh/test.py    |   8 +-
 .../filter_translations/test.py               |   8 +-
 .../lattice_hex_coincident/inputs_true.dat    |   2 +-
 .../lattice_hex_coincident/test.py            |  10 +-
 .../lattice_hex_x/inputs_true.dat             |   2 +-
 tests/regression_tests/lattice_hex_x/test.py  |  10 +-
 .../regression_tests/lattice_multiple/test.py |   4 +-
 .../mg_temperature_multi/test.py              |   4 +-
 .../mgxs_library_mesh/test.py                 |   8 +-
 tests/regression_tests/microxs/test.py        |   4 +-
 tests/regression_tests/periodic_hex/test.py   |   4 +-
 tests/regression_tests/score_current/test.py  |   8 +-
 .../tally_aggregation/test.py                 |   4 +-
 .../test_deplete_coupled_operator.py          |   4 +-
 .../unit_tests/test_deplete_fission_yields.py |   4 +-
 tests/unit_tests/test_filter_mesh.py          |   6 +-
 tests/unit_tests/test_filters.py              |   4 +-
 tests/unit_tests/test_geometry.py             |  30 +-
 tests/unit_tests/test_model.py                |   8 +-
 tests/unit_tests/test_no_visible_boundary.py  |   4 +-
 36 files changed, 425 insertions(+), 403 deletions(-)

diff --git a/docs/source/pythonapi/model.rst b/docs/source/pythonapi/model.rst
index c9c6e117a..99459f64d 100644
--- a/docs/source/pythonapi/model.rst
+++ b/docs/source/pythonapi/model.rst
@@ -11,8 +11,6 @@ Convenience Functions
    :template: myfunction.rst
 
    openmc.model.borated_water
-   openmc.model.hexagonal_prism
-   openmc.model.rectangular_prism
    openmc.model.subdivide
    openmc.model.pin
 
@@ -26,9 +24,11 @@ Composite Surfaces
 
    openmc.model.CruciformPrism
    openmc.model.CylinderSector
+   openmc.model.HexagonalPrism
    openmc.model.IsogonalOctagon
    openmc.model.Polygon
    openmc.model.RectangularParallelepiped
+   openmc.model.RectangularPrism
    openmc.model.RightCircularCylinder
    openmc.model.XConeOneSided
    openmc.model.YConeOneSided
diff --git a/docs/source/usersguide/geometry.rst b/docs/source/usersguide/geometry.rst
index 379642996..3a3d02231 100644
--- a/docs/source/usersguide/geometry.rst
+++ b/docs/source/usersguide/geometry.rst
@@ -147,12 +147,13 @@ For many regions, a bounding-box can be determined automatically::
 While a bounding box can be determined for regions involving half-spaces of
 spheres, cylinders, and axis-aligned planes, it generally cannot be determined
 if the region involves cones, non-axis-aligned planes, or other exotic
-second-order surfaces. For example, the :func:`openmc.model.hexagonal_prism`
-function returns the interior region of a hexagonal prism; because it is bounded
-by a :class:`openmc.Plane`, trying to get its bounding box won't work::
+second-order surfaces. For example, the :class:`openmc.model.HexagonalPrism`
+class returns a hexagonal prism surface; because it utilizes a
+:class:`openmc.Plane`, trying to get the bounding box of its interior won't
+work::
 
-  >>> hex = openmc.model.hexagonal_prism()
-  >>> hex.bounding_box
+  >>> hex = openmc.model.HexagonalPrism()
+  >>> (-hex).bounding_box
   (array([-0.8660254,       -inf,       -inf]),
    array([ 0.8660254,        inf,        inf]))
 
@@ -428,7 +429,7 @@ code would work::
   hexlat.universes = [outer_ring, middle_ring, inner_ring]
 
 If you need to create a hexagonal boundary (composed of six planar surfaces) for
-a hexagonal lattice, :func:`openmc.model.hexagonal_prism` can be used.
+a hexagonal lattice, :class:`openmc.model.HexagonalPrism` can be used.
 
 .. _usersguide_geom_export:
 
diff --git a/examples/assembly/assembly.py b/examples/assembly/assembly.py
index 1355374f1..a370a3611 100644
--- a/examples/assembly/assembly.py
+++ b/examples/assembly/assembly.py
@@ -99,11 +99,11 @@ def assembly_model():
     assembly.universes[gt_pos[:, 0], gt_pos[:, 1]] = guide_tube_pin()
 
     # Create outer boundary of the geometry to surround the lattice
-    outer_boundary = openmc.model.rectangular_prism(
+    outer_boundary = openmc.model.RectangularPrism(
         pitch, pitch, boundary_type='reflective')
 
     # Create a cell filled with the lattice
-    main_cell = openmc.Cell(fill=assembly, region=outer_boundary)
+    main_cell = openmc.Cell(fill=assembly, region=-outer_boundary)
 
     # Finally, create geometry by providing a list of cells that fill the root
     # universe
diff --git a/examples/custom_source/build_xml.py b/examples/custom_source/build_xml.py
index 6db136216..ff6dae2bb 100644
--- a/examples/custom_source/build_xml.py
+++ b/examples/custom_source/build_xml.py
@@ -8,8 +8,8 @@ mats = openmc.Materials([iron])
 mats.export_to_xml()
 
 # Create a 5 cm x 5 cm box filled with iron
-box = openmc.model.rectangular_prism(10.0, 10.0, boundary_type='vacuum')
-cell = openmc.Cell(fill=iron, region=box)
+box = openmc.model.RectangularPrism(10.0, 10.0, boundary_type='vacuum')
+cell = openmc.Cell(fill=iron, region=-box)
 geometry = openmc.Geometry([cell])
 geometry.export_to_xml()
 
diff --git a/examples/parameterized_custom_source/build_xml.py b/examples/parameterized_custom_source/build_xml.py
index 23d9930c0..5ac6bf928 100644
--- a/examples/parameterized_custom_source/build_xml.py
+++ b/examples/parameterized_custom_source/build_xml.py
@@ -8,8 +8,8 @@ mats = openmc.Materials([iron])
 mats.export_to_xml()
 
 # Create a 5 cm x 5 cm box filled with iron
-box = openmc.model.rectangular_prism(10.0, 10.0, boundary_type='vacuum')
-cell = openmc.Cell(fill=iron, region=box)
+box = openmc.model.RectangularPrism(10.0, 10.0, boundary_type='vacuum')
+cell = openmc.Cell(fill=iron, region=-box)
 geometry = openmc.Geometry([cell])
 geometry.export_to_xml()
 
diff --git a/examples/pincell/build_xml.py b/examples/pincell/build_xml.py
index cd8923fbe..d008c8822 100644
--- a/examples/pincell/build_xml.py
+++ b/examples/pincell/build_xml.py
@@ -43,13 +43,13 @@ clad_or = openmc.ZCylinder(r=0.45720, name='Clad OR')
 
 # Create a region represented as the inside of a rectangular prism
 pitch = 1.25984
-box = openmc.rectangular_prism(pitch, pitch, boundary_type='reflective')
+box = openmc.model.RectangularPrism(pitch, pitch, boundary_type='reflective')
 
 # Create cells, mapping materials to regions
 fuel = openmc.Cell(fill=uo2, region=-fuel_or)
 gap = openmc.Cell(fill=helium, region=+fuel_or & -clad_ir)
 clad = openmc.Cell(fill=zircaloy, region=+clad_ir & -clad_or)
-water = openmc.Cell(fill=borated_water, region=+clad_or & box)
+water = openmc.Cell(fill=borated_water, region=+clad_or & -box)
 
 # Create a geometry and export to XML
 geometry = openmc.Geometry([fuel, gap, clad, water])
diff --git a/examples/pincell_depletion/run_depletion.py b/examples/pincell_depletion/run_depletion.py
index 493e31178..e1959938f 100644
--- a/examples/pincell_depletion/run_depletion.py
+++ b/examples/pincell_depletion/run_depletion.py
@@ -41,13 +41,13 @@ pitch = 1.25984
 fuel_or = openmc.ZCylinder(r=0.39218, name='Fuel OR')
 clad_ir = openmc.ZCylinder(r=0.40005, name='Clad IR')
 clad_or = openmc.ZCylinder(r=0.45720, name='Clad OR')
-box = openmc.model.rectangular_prism(pitch, pitch, boundary_type='reflective')
+box = openmc.model.RectangularPrism(pitch, pitch, boundary_type='reflective')
 
 # Define cells
 fuel = openmc.Cell(fill=uo2, region=-fuel_or)
 gap = openmc.Cell(fill=helium, region=+fuel_or & -clad_ir)
 clad = openmc.Cell(fill=zircaloy, region=+clad_ir & -clad_or)
-water = openmc.Cell(fill=borated_water, region=+clad_or & box)
+water = openmc.Cell(fill=borated_water, region=+clad_or & -box)
 
 # Define overall geometry
 geometry = openmc.Geometry([fuel, gap, clad, water])
diff --git a/examples/pincell_multigroup/build_xml.py b/examples/pincell_multigroup/build_xml.py
index 48671698d..019ae6a11 100644
--- a/examples/pincell_multigroup/build_xml.py
+++ b/examples/pincell_multigroup/build_xml.py
@@ -90,11 +90,11 @@ fuel_or = openmc.ZCylinder(r=0.54, name='Fuel OR')
 
 # Create a region represented as the inside of a rectangular prism
 pitch = 1.26
-box = openmc.rectangular_prism(pitch, pitch, boundary_type='reflective')
+box = openmc.model.RectangularPrism(pitch, pitch, boundary_type='reflective')
 
 # Instantiate Cells
 fuel = openmc.Cell(fill=uo2, region=-fuel_or, name='fuel')
-moderator = openmc.Cell(fill=water, region=+fuel_or & box, name='moderator')
+moderator = openmc.Cell(fill=water, region=+fuel_or & -box, name='moderator')
 
 # Create a geometry with the two cells and export to XML
 geometry = openmc.Geometry([fuel, moderator])
diff --git a/openmc/__init__.py b/openmc/__init__.py
index 7da055d6e..03d373121 100644
--- a/openmc/__init__.py
+++ b/openmc/__init__.py
@@ -36,7 +36,7 @@ from . import examples
 from .config import *
 
 # Import a few names from the model module
-from openmc.model import rectangular_prism, hexagonal_prism, Model
+from openmc.model import Model
 
 
 __version__ = '0.14.0-dev'
diff --git a/openmc/model/funcs.py b/openmc/model/funcs.py
index d185c13df..815d03829 100644
--- a/openmc/model/funcs.py
+++ b/openmc/model/funcs.py
@@ -1,11 +1,10 @@
 from collections.abc import Iterable
-from functools import partial
 from math import sqrt
-from numbers import Real
 from operator import attrgetter
 from warnings import warn
 
-from openmc import Plane, Cylinder, Universe, Cell
+from openmc import Cylinder, Universe, Cell
+from .surface_composite import RectangularPrism, HexagonalPrism
 from ..checkvalue import (check_type, check_value, check_length,
                           check_less_than, check_iterable_type)
 import openmc.data
@@ -108,299 +107,26 @@ def borated_water(boron_ppm, temperature=293., pressure=0.1013, temp_unit='K',
     return out
 
 
-# Define function to create a plane on given axis
-def _plane(axis, name, value, boundary_type='transmission', albedo=1.):
-        cls = getattr(openmc, f'{axis.upper()}Plane')
-        return cls(value, name=f'{name} {axis}',
-                   boundary_type=boundary_type,
-                   albedo=albedo)
 
 
 def rectangular_prism(width, height, axis='z', origin=(0., 0.),
-                      boundary_type='transmission', albedo=1.,
-                      corner_radius=0.):
-    """Get an infinite rectangular prism from four planar surfaces.
-
-    .. versionchanged:: 0.11
-        This function was renamed from `get_rectangular_prism` to
-        `rectangular_prism`.
-
-    Parameters
-    ----------
-    width: float
-        Prism width in units of cm. The width is aligned with the y, x,
-        or x axes for prisms parallel to the x, y, or z axis, respectively.
-    height: float
-        Prism height in units of cm. The height is aligned with the z, z,
-        or y axes for prisms parallel to the x, y, or z axis, respectively.
-    axis : {'x', 'y', 'z'}
-        Axis with which the infinite length of the prism should be aligned.
-        Defaults to 'z'.
-    origin: Iterable of two floats
-        Origin of the prism. The two floats correspond to (y,z), (x,z) or
-        (x,y) for prisms parallel to the x, y or z axis, respectively.
-        Defaults to (0., 0.).
-    boundary_type : {'transmission, 'vacuum', 'reflective', 'periodic', 'white'}
-        Boundary condition that defines the behavior for particles hitting the
-        surfaces comprising the rectangular prism (default is 'transmission').
-    albedo : float, optional
-        Albedo of the prism's surfaces as a ratio of particle weight after
-        interaction with the surface to the initial weight. Values must be
-        positive. Only applicable if the boundary type is 'reflective',
-        'periodic', or 'white'.
-    corner_radius: float
-        Prism corner radius in units of cm. Defaults to 0.
-
-    Returns
-    -------
-    openmc.Region
-        The inside of a rectangular prism
-
-    """
-
-    check_type('width', width, Real)
-    check_type('height', height, Real)
-    check_type('albedo', albedo, Real)
-    check_type('corner_radius', corner_radius, Real)
-    check_value('axis', axis, ['x', 'y', 'z'])
-    check_type('origin', origin, Iterable, Real)
-
-    if axis == 'x':
-        x1, x2 = 'y', 'z'
-    elif axis == 'y':
-        x1, x2 = 'x', 'z'
-    else:
-        x1, x2 = 'x', 'y'
-
-    # Get cylinder class corresponding to given axis
-    cyl = getattr(openmc, f'{axis.upper()}Cylinder')
-
-    # Create container for boundary arguments
-    bc_args = {'boundary_type': boundary_type, 'albedo': albedo}
-
-    # Create rectangular region
-    min_x1 = _plane(x1, 'minimum', -width/2 + origin[0], **bc_args)
-    max_x1 = _plane(x1, 'maximum', width/2 + origin[0], **bc_args)
-    min_x2 = _plane(x2, 'minimum', -height/2 + origin[1], **bc_args)
-    max_x2 = _plane(x2, 'maximum', height/2 + origin[1], **bc_args)
-    if boundary_type == 'periodic':
-        min_x1.periodic_surface = max_x1
-        min_x2.periodic_surface = max_x2
-    prism = +min_x1 & -max_x1 & +min_x2 & -max_x2
-
-    # Handle rounded corners if given
-    if corner_radius > 0.:
-        if boundary_type == 'periodic':
-            raise ValueError('Periodic boundary conditions not permitted when '
-                             'rounded corners are used.')
-
-        args = {'r': corner_radius, 'boundary_type': boundary_type, 'albedo' : albedo}
-
-        args[x1 + '0'] = origin[0] - width/2 + corner_radius
-        args[x2 + '0'] = origin[1] - height/2 + corner_radius
-        x1_min_x2_min = cyl(name='{} min {} min'.format(x1, x2), **args)
-
-        args[x1 + '0'] = origin[0] - width/2 + corner_radius
-        args[x2 + '0'] = origin[1] - height/2 + corner_radius
-        x1_min_x2_min = cyl(name='{} min {} min'.format(x1, x2), **args)
-
-        args[x1 + '0'] = origin[0] - width/2 + corner_radius
-        args[x2 + '0'] = origin[1] + height/2 - corner_radius
-        x1_min_x2_max = cyl(name='{} min {} max'.format(x1, x2), **args)
-
-        args[x1 + '0'] = origin[0] + width/2 - corner_radius
-        args[x2 + '0'] = origin[1] - height/2 + corner_radius
-        x1_max_x2_min = cyl(name='{} max {} min'.format(x1, x2), **args)
-
-        args[x1 + '0'] = origin[0] + width/2 - corner_radius
-        args[x2 + '0'] = origin[1] + height/2 - corner_radius
-        x1_max_x2_max = cyl(name='{} max {} max'.format(x1, x2), **args)
-
-        x1_min = _plane(x1, 'min', -width/2 + origin[0] + corner_radius,
-                        **bc_args)
-        x1_max = _plane(x1, 'max', width/2 + origin[0] - corner_radius,
-                        **bc_args)
-        x2_min = _plane(x2, 'min', -height/2 + origin[1] + corner_radius,
-                        **bc_args)
-        x2_max = _plane(x2, 'max', height/2 + origin[1] - corner_radius,
-                        **bc_args)
-
-        corners = (+x1_min_x2_min & -x1_min & -x2_min) | \
-                  (+x1_min_x2_max & -x1_min & +x2_max) | \
-                  (+x1_max_x2_min & +x1_max & -x2_min) | \
-                  (+x1_max_x2_max & +x1_max & +x2_max)
-
-        prism = prism & ~corners
-
-    return prism
-
-
-def get_rectangular_prism(*args, **kwargs):
-    warn("get_rectangular_prism(...) has been renamed rectangular_prism(...). "
-         "Future versions of OpenMC will not accept get_rectangular_prism.",
-         FutureWarning)
-    return rectangular_prism(*args, **kwargs)
+                      boundary_type='transmission', corner_radius=0.):
+    warn("The rectangular_prism(...) function has been replaced by the "
+         "RectangularPrism(...) class. Future versions of OpenMC will not "
+         "accept rectangular_prism.", FutureWarning)
+    return -RectangularPrism(
+        width=width, height=height, axis=axis, origin=origin,
+        boundary_type=boundary_type, corner_radius=corner_radius)
 
 
 def hexagonal_prism(edge_length=1., orientation='y', origin=(0., 0.),
-                    boundary_type='transmission', albedo=1., corner_radius=0.):
-    """Create a hexagon region from six surface planes.
-
-    .. versionchanged:: 0.11
-        This function was renamed from `get_hexagonal_prism` to
-        `hexagonal_prism`.
-
-    Parameters
-    ----------
-    edge_length : float
-        Length of a side of the hexagon in cm
-    orientation : {'x', 'y'}
-        An 'x' orientation means that two sides of the hexagon are parallel to
-        the x-axis and a 'y' orientation means that two sides of the hexagon are
-        parallel to the y-axis.
-    origin: Iterable of two floats
-        Origin of the prism. Defaults to (0., 0.).
-    boundary_type : {'transmission, 'vacuum', 'reflective', 'periodic', 'white'}
-        Boundary condition that defines the behavior for particles hitting the
-        surfaces comprising the hexagonal prism (default is 'transmission').
-    albedo : float, optional
-        Albedo of the prism's surfaces as a ratio of particle weight after
-        interaction with the surface to the initial weight. Values must be
-        positive. Only applicable if the boundary type is 'reflective',
-        'periodic', or 'white'.
-    corner_radius: float
-        Prism corner radius in units of cm. Defaults to 0.
-
-    Returns
-    -------
-    openmc.Region
-        The inside of a hexagonal prism
-
-    """
-
-    check_type('edge_length', edge_length, Real)
-    check_type('albedo', albedo, Real)
-    check_type('corner_radius', corner_radius, Real)
-    check_value('orientation', orientation, ['x', 'y'])
-    check_type('origin', origin, Iterable, Real)
-
-    l = edge_length
-    x, y = origin
-
-
-    # Create container for boundary arguments
-    bc_args = {'boundary_type': boundary_type, 'albedo' : albedo}
-
-    if orientation == 'y':
-        right = openmc.XPlane(x + sqrt(3.)/2*l, **bc_args)
-        left = openmc.XPlane(x - sqrt(3.)/2*l, **bc_args)
-        c = sqrt(3.)/3.
-
-        # y = -x/sqrt(3) + a
-        upper_right = Plane(a=c, b=1., d=l+x*c+y, **bc_args)
-
-        # y = x/sqrt(3) + a
-        upper_left = Plane(a=-c, b=1., d=l-x*c+y, **bc_args)
-
-        # y = x/sqrt(3) - a
-        lower_right = Plane(a=-c, b=1., d=-l-x*c+y, **bc_args)
-
-        # y = -x/sqrt(3) - a
-        lower_left = Plane(a=c, b=1., d=-l+x*c+y, **bc_args)
-
-        prism = -right & +left & -upper_right & -upper_left & \
-                +lower_right & +lower_left
-
-        if boundary_type == 'periodic':
-            right.periodic_surface = left
-            upper_right.periodic_surface = lower_left
-            lower_right.periodic_surface = upper_left
-
-    elif orientation == 'x':
-        top = openmc.YPlane(y0=y + sqrt(3.)/2*l, **bc_args)
-        bottom = openmc.YPlane(y0=y - sqrt(3.)/2*l, **bc_args)
-        c = sqrt(3.)
-
-        # y = -sqrt(3)*(x - a)
-        upper_right = Plane(a=c, b=1., d=c*l+x*c+y, **bc_args)
-
-        # y = sqrt(3)*(x + a)
-        lower_right = Plane(a=-c, b=1., d=-c*l-x*c+y, **bc_args)
-
-        # y = -sqrt(3)*(x + a)
-        lower_left = Plane(a=c, b=1., d=-c*l+x*c+y, **bc_args)
-
-        # y = sqrt(3)*(x + a)
-        upper_left = Plane(a=-c, b=1., d=c*l-x*c+y, **bc_args)
-
-        prism = -top & +bottom & -upper_right & +lower_right & \
-                            +lower_left & -upper_left
-
-        if boundary_type == 'periodic':
-            top.periodic_surface = bottom
-            upper_right.periodic_surface = lower_left
-            lower_right.periodic_surface = upper_left
-
-    # Handle rounded corners if given
-    if corner_radius > 0.:
-        if boundary_type == 'periodic':
-            raise ValueError('Periodic boundary conditions not permitted when '
-                             'rounded corners are used.')
-
-        c = sqrt(3.)/2
-        t = l - corner_radius/c
-
-        # Cylinder with corner radius and boundary conditions pre-applied
-        cyl1 = partial(openmc.ZCylinder, r=corner_radius, **bc_args)
-        cyl2 = partial(openmc.ZCylinder, r=corner_radius/(2*c), **bc_args)
-
-        if orientation == 'x':
-            x_min_y_min_in = cyl1(name='x min y min in', x0=x-t/2, y0=y-c*t)
-            x_min_y_max_in = cyl1(name='x min y max in', x0=x+t/2, y0=y-c*t)
-            x_max_y_min_in = cyl1(name='x max y min in', x0=x-t/2, y0=y+c*t)
-            x_max_y_max_in = cyl1(name='x max y max in', x0=x+t/2, y0=y+c*t)
-            x_min_in = cyl1(name='x min in', x0=x-t, y0=y)
-            x_max_in = cyl1(name='x max in', x0=x+t, y0=y)
-
-            x_min_y_min_out = cyl2(name='x min y min out', x0=x-l/2, y0=y-c*l)
-            x_min_y_max_out = cyl2(name='x min y max out', x0=x+l/2, y0=y-c*l)
-            x_max_y_min_out = cyl2(name='x max y min out', x0=x-l/2, y0=y+c*l)
-            x_max_y_max_out = cyl2(name='x max y max out', x0=x+l/2, y0=y+c*l)
-            x_min_out = cyl2(name='x min out', x0=x-l, y0=y)
-            x_max_out = cyl2(name='x max out', x0=x+l, y0=y)
-
-            corners = (+x_min_y_min_in & -x_min_y_min_out |
-                       +x_min_y_max_in & -x_min_y_max_out |
-                       +x_max_y_min_in & -x_max_y_min_out |
-                       +x_max_y_max_in & -x_max_y_max_out |
-                       +x_min_in & -x_min_out |
-                       +x_max_in & -x_max_out)
-
-        elif orientation == 'y':
-            x_min_y_min_in = cyl1(name='x min y min in', x0=x-c*t, y0=y-t/2)
-            x_min_y_max_in = cyl1(name='x min y max in', x0=x-c*t, y0=y+t/2)
-            x_max_y_min_in = cyl1(name='x max y min in', x0=x+c*t, y0=y-t/2)
-            x_max_y_max_in = cyl1(name='x max y max in', x0=x+c*t, y0=y+t/2)
-            y_min_in = cyl1(name='y min in', x0=x, y0=y-t)
-            y_max_in = cyl1(name='y max in', x0=x, y0=y+t)
-
-            x_min_y_min_out = cyl2(name='x min y min out', x0=x-c*l, y0=y-l/2)
-            x_min_y_max_out = cyl2(name='x min y max out', x0=x-c*l, y0=y+l/2)
-            x_max_y_min_out = cyl2(name='x max y min out', x0=x+c*l, y0=y-l/2)
-            x_max_y_max_out = cyl2(name='x max y max out', x0=x+c*l, y0=y+l/2)
-            y_min_out = cyl2(name='y min out', x0=x, y0=y-l)
-            y_max_out = cyl2(name='y max out', x0=x, y0=y+l)
-
-            corners = (+x_min_y_min_in & -x_min_y_min_out |
-                       +x_min_y_max_in & -x_min_y_max_out |
-                       +x_max_y_min_in & -x_max_y_min_out |
-                       +x_max_y_max_in & -x_max_y_max_out |
-                       +y_min_in & -y_min_out |
-                       +y_max_in & -y_max_out)
-
-        prism = prism & ~corners
-
-    return prism
+                    boundary_type='transmission', corner_radius=0.):
+    warn("The hexagonal_prism(...) function has been replaced by the "
+         "HexagonalPrism(...) class. Future versions of OpenMC will not "
+         "accept hexagonal_prism.", FutureWarning)
+    return -HexagonalPrism(
+        edge_length=edge_length, orientation=orientation, origin=origin,
+        boundary_type=boundary_type, corner_radius=corner_radius)
 
 
 def get_hexagonal_prism(*args, **kwargs):
diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index 918bd8444..eb5a7e740 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -1,8 +1,12 @@
 from abc import ABC, abstractmethod
+from collections.abc import Iterable
 from copy import copy
+from functools import partial
 from math import sqrt, pi, sin, cos, isclose
+from numbers import Real
 import warnings
 import operator
+from typing import Sequence
 
 import numpy as np
 from scipy.spatial import ConvexHull, Delaunay
@@ -50,13 +54,13 @@ class CompositeSurface(ABC):
         """Iterable of attribute names corresponding to underlying surfaces."""
 
     @abstractmethod
-    def __pos__(self):
-        """Return the positive half-space of the composite surface."""
-
-    @abstractmethod
-    def __neg__(self):
+    def __neg__(self) -> openmc.Region:
         """Return the negative half-space of the composite surface."""
 
+    def __pos__(self) -> openmc.Region:
+        """Return the positive half-space of the composite surface."""
+        return ~(-self)
+
 
 class CylinderSector(CompositeSurface):
     """Infinite cylindrical sector composite surface.
@@ -836,9 +840,6 @@ class Polygon(CompositeSurface):
     def __neg__(self):
         return self._region
 
-    def __pos__(self):
-        return ~self._region
-
     @property
     def _surface_names(self):
         return self._surfnames
@@ -1309,5 +1310,295 @@ class CruciformPrism(CompositeSurface):
             )
         return openmc.Union(regions)
 
-    def __pos__(self):
-        return ~(-self)
+
+# Define function to create a plane on given axis
+def _plane(axis, name, value, boundary_type='transmission', albedo=1.0):
+        cls = getattr(openmc, f'{axis.upper()}Plane')
+        return cls(value, name=f'{name} {axis}',
+                   boundary_type=boundary_type, albedo=albedo)
+
+
+class RectangularPrism(CompositeSurface):
+    """Infinite rectangular prism bounded by four planar surfaces.
+
+    .. versionadded:: 0.13.4
+
+    Parameters
+    ----------
+    width : float
+        Prism width in units of [cm]. The width is aligned with the x, x, or z
+        axes for prisms parallel to the x, y, or z axis, respectively.
+    height : float
+        Prism height in units of [cm]. The height is aligned with the x, y, or z
+        axes for prisms parallel to the x, y, or z axis, respectively.
+    axis : {'x', 'y', 'z'}
+        Axis with which the infinite length of the prism should be aligned.
+    origin : Iterable of two floats
+        Origin of the prism. The two floats correspond to (y,z), (x,z) or (x,y)
+        for prisms parallel to the x, y or z axis, respectively.
+    boundary_type : {'transmission, 'vacuum', 'reflective', 'periodic', 'white'}
+        Boundary condition that defines the behavior for particles hitting the
+        surfaces comprising the rectangular prism.
+    albedo : float, optional
+        Albedo of the prism's surfaces as a ratio of particle weight after
+        interaction with the surface to the initial weight. Values must be
+        positive. Only applicable if the boundary type is 'reflective',
+        'periodic', or 'white'.
+    corner_radius : float
+        Prism corner radius in units of [cm].
+
+    """
+    _surface_names = ('min_x1', 'max_x1', 'min_x2', 'max_x2')
+
+    def __init__(
+            self,
+            width: float,
+            height: float,
+            axis: str = 'z',
+            origin: Sequence[float] = (0., 0.),
+            boundary_type: str = 'transmission',
+            albedo: float = 1.,
+            corner_radius: float = 0.
+        ):
+        check_type('width', width, Real)
+        check_type('height', height, Real)
+        check_type('albedo', albedo, Real)
+        check_type('corner_radius', corner_radius, Real)
+        check_value('axis', axis, ('x', 'y', 'z'))
+        check_type('origin', origin, Iterable, Real)
+
+        if axis == 'x':
+            x1, x2 = 'y', 'z'
+        elif axis == 'y':
+            x1, x2 = 'x', 'z'
+        else:
+            x1, x2 = 'x', 'y'
+
+        # Get cylinder class corresponding to given axis
+        cyl = getattr(openmc, f'{axis.upper()}Cylinder')
+
+        # Create container for boundary arguments
+        bc_args = {'boundary_type': boundary_type, 'albedo': albedo}
+
+        # Create rectangular region
+        self.min_x1 = _plane(x1, 'minimum', -width/2 + origin[0], **bc_args)
+        self.max_x1 = _plane(x1, 'maximum', width/2 + origin[0], **bc_args)
+        self.min_x2 = _plane(x2, 'minimum', -height/2 + origin[1], **bc_args)
+        self.max_x2 = _plane(x2, 'maximum', height/2 + origin[1], **bc_args)
+        if boundary_type == 'periodic':
+            self.min_x1.periodic_surface = self.max_x1
+            self.min_x2.periodic_surface = self.max_x2
+
+        # Handle rounded corners if given
+        if corner_radius > 0.:
+            if boundary_type == 'periodic':
+                raise ValueError('Periodic boundary conditions not permitted when '
+                                'rounded corners are used.')
+
+            args = {'r': corner_radius, 'boundary_type': boundary_type, 'albedo': albedo}
+
+            args[x1 + '0'] = origin[0] - width/2 + corner_radius
+            args[x2 + '0'] = origin[1] - height/2 + corner_radius
+            self.x1_min_x2_min = cyl(name=f'{x1} min {x2} min', **args)
+
+            args[x1 + '0'] = origin[0] - width/2 + corner_radius
+            args[x2 + '0'] = origin[1] + height/2 - corner_radius
+            self.x1_min_x2_max = cyl(name=f'{x1} min {x2} max', **args)
+
+            args[x1 + '0'] = origin[0] + width/2 - corner_radius
+            args[x2 + '0'] = origin[1] - height/2 + corner_radius
+            self.x1_max_x2_min = cyl(name=f'{x1} max {x2} min', **args)
+
+            args[x1 + '0'] = origin[0] + width/2 - corner_radius
+            args[x2 + '0'] = origin[1] + height/2 - corner_radius
+            self.x1_max_x2_max = cyl(name=f'{x1} max {x2} max', **args)
+
+            self.x1_min = _plane(x1, 'min', -width/2 + origin[0] + corner_radius,
+                                 **bc_args)
+            self.x1_max = _plane(x1, 'max', width/2 + origin[0] - corner_radius,
+                                 **bc_args)
+            self.x2_min = _plane(x2, 'min', -height/2 + origin[1] + corner_radius,
+                                 **bc_args)
+            self.x2_max = _plane(x2, 'max', height/2 + origin[1] - corner_radius,
+                                 **bc_args)
+            self._surface_names += (
+                'x1_min_x2_min', 'x1_min_x2_max', 'x1_max_x2_min',
+                'x1_max_x2_max', 'x1_min', 'x1_max', 'x2_min', 'x2_max'
+            )
+
+    def __neg__(self):
+        prism = +self.min_x1 & -self.max_x1 & +self.min_x2 & -self.max_x2
+
+        # Cut out corners if a corner radius was given
+        if hasattr(self, 'x1_min'):
+            corners = (
+                (+self.x1_min_x2_min & -self.x1_min & -self.x2_min) |
+                (+self.x1_min_x2_max & -self.x1_min & +self.x2_max) |
+                (+self.x1_max_x2_min & +self.x1_max & -self.x2_min) |
+                (+self.x1_max_x2_max & +self.x1_max & +self.x2_max)
+            )
+            prism &= ~corners
+
+        return prism
+
+
+class HexagonalPrism(CompositeSurface):
+    """Hexagonal prism comoposed of six planar surfaces
+
+    Parameters
+    ----------
+    edge_length : float
+        Length of a side of the hexagon in [cm]
+    orientation : {'x', 'y'}
+        An 'x' orientation means that two sides of the hexagon are parallel to
+        the x-axis and a 'y' orientation means that two sides of the hexagon are
+        parallel to the y-axis.
+    origin : Iterable of two floats
+        Origin of the prism.
+    boundary_type : {'transmission, 'vacuum', 'reflective', 'periodic', 'white'}
+        Boundary condition that defines the behavior for particles hitting the
+        surfaces comprising the hexagonal prism.
+    albedo : float, optional
+        Albedo of the prism's surfaces as a ratio of particle weight after
+        interaction with the surface to the initial weight. Values must be
+        positive. Only applicable if the boundary type is 'reflective',
+        'periodic', or 'white'.
+    corner_radius : float
+        Prism corner radius in units of [cm].
+
+    """
+    _surface_names = ('plane_max', 'plane_min', 'upper_right', 'upper_left',
+                      'lower_right', 'lower_left')
+
+    def __init__(
+            self,
+            edge_length: float = 1.,
+            orientation: str = 'y',
+            origin: Sequence[float] = (0., 0.),
+            boundary_type: str = 'transmission',
+            albedo: float = 1.,
+            corner_radius: float = 0.
+    ):
+        check_type('edge_length', edge_length, Real)
+        check_type('albedo', albedo, Real)
+        check_type('corner_radius', corner_radius, Real)
+        check_value('orientation', orientation, ('x', 'y'))
+        check_type('origin', origin, Iterable, Real)
+
+        l = edge_length
+        x, y = origin
+
+        # Create container for boundary arguments
+        bc_args = {'boundary_type': boundary_type, 'albedo': albedo}
+
+        if orientation == 'y':
+            # Left and right planes
+            self.plane_max = openmc.XPlane(x + sqrt(3.)/2*l, **bc_args)
+            self.plane_min = openmc.XPlane(x - sqrt(3.)/2*l, **bc_args)
+            c = sqrt(3.)/3.
+
+            # y = -x/sqrt(3) + a
+            self.upper_right = openmc.Plane(a=c, b=1., d=l+x*c+y, **bc_args)
+
+            # y = x/sqrt(3) + a
+            self.upper_left = openmc.Plane(a=-c, b=1., d=l-x*c+y, **bc_args)
+
+            # y = x/sqrt(3) - a
+            self.lower_right = openmc.Plane(a=-c, b=1., d=-l-x*c+y, **bc_args)
+
+            # y = -x/sqrt(3) - a
+            self.lower_left = openmc.Plane(a=c, b=1., d=-l+x*c+y, **bc_args)
+
+        elif orientation == 'x':
+            self.plane_max = openmc.YPlane(y + sqrt(3.)/2*l, **bc_args)
+            self.plane_min = openmc.YPlane(y - sqrt(3.)/2*l, **bc_args)
+            c = sqrt(3.)
+
+            # Upper-right surface: y = -sqrt(3)*(x - a)
+            self.upper_right = openmc.Plane(a=c, b=1., d=c*l+x*c+y, **bc_args)
+
+            # Lower-right surface: y = sqrt(3)*(x + a)
+            self.lower_right = openmc.Plane(a=-c, b=1., d=-c*l-x*c+y, **bc_args)
+
+            # Lower-left surface: y = -sqrt(3)*(x + a)
+            self.lower_left = openmc.Plane(a=c, b=1., d=-c*l+x*c+y, **bc_args)
+
+            # Upper-left surface: y = sqrt(3)*(x + a)
+            self.upper_left = openmc.Plane(a=-c, b=1., d=c*l-x*c+y, **bc_args)
+
+        # Handle periodic boundary conditions
+        if boundary_type == 'periodic':
+            self.plane_min.periodic_surface = self.plane_max
+            self.upper_right.periodic_surface = self.lower_left
+            self.lower_right.periodic_surface = self.upper_left
+
+        # Handle rounded corners if given
+        if corner_radius > 0.:
+            if boundary_type == 'periodic':
+                raise ValueError('Periodic boundary conditions not permitted '
+                                 'when rounded corners are used.')
+
+            c = sqrt(3.)/2
+            t = l - corner_radius/c
+
+            # Cylinder with corner radius and boundary type pre-applied
+            cyl1 = partial(openmc.ZCylinder, r=corner_radius, **bc_args)
+            cyl2 = partial(openmc.ZCylinder, r=corner_radius/(2*c), **bc_args)
+
+            if orientation == 'x':
+                self.x_min_y_min_in = cyl1(name='x min y min in', x0=x-t/2, y0=y-c*t)
+                self.x_min_y_max_in = cyl1(name='x min y max in', x0=x+t/2, y0=y-c*t)
+                self.x_max_y_min_in = cyl1(name='x max y min in', x0=x-t/2, y0=y+c*t)
+                self.x_max_y_max_in = cyl1(name='x max y max in', x0=x+t/2, y0=y+c*t)
+                self.min_in = cyl1(name='x min in', x0=x-t, y0=y)
+                self.max_in = cyl1(name='x max in', x0=x+t, y0=y)
+
+                self.x_min_y_min_out = cyl2(name='x min y min out', x0=x-l/2, y0=y-c*l)
+                self.x_min_y_max_out = cyl2(name='x min y max out', x0=x+l/2, y0=y-c*l)
+                self.x_max_y_min_out = cyl2(name='x max y min out', x0=x-l/2, y0=y+c*l)
+                self.x_max_y_max_out = cyl2(name='x max y max out', x0=x+l/2, y0=y+c*l)
+                self.min_out = cyl2(name='x min out', x0=x-l, y0=y)
+                self.max_out = cyl2(name='x max out', x0=x+l, y0=y)
+
+            elif orientation == 'y':
+                self.x_min_y_min_in = cyl1(name='x min y min in', x0=x-c*t, y0=y-t/2)
+                self.x_min_y_max_in = cyl1(name='x min y max in', x0=x-c*t, y0=y+t/2)
+                self.x_max_y_min_in = cyl1(name='x max y min in', x0=x+c*t, y0=y-t/2)
+                self.x_max_y_max_in = cyl1(name='x max y max in', x0=x+c*t, y0=y+t/2)
+                self.min_in = cyl1(name='y min in', x0=x, y0=y-t)
+                self.max_in = cyl1(name='y max in', x0=x, y0=y+t)
+
+                self.x_min_y_min_out = cyl2(name='x min y min out', x0=x-c*l, y0=y-l/2)
+                self.x_min_y_max_out = cyl2(name='x min y max out', x0=x-c*l, y0=y+l/2)
+                self.x_max_y_min_out = cyl2(name='x max y min out', x0=x+c*l, y0=y-l/2)
+                self.x_max_y_max_out = cyl2(name='x max y max out', x0=x+c*l, y0=y+l/2)
+                self.min_out = cyl2(name='y min out', x0=x, y0=y-l)
+                self.max_out = cyl2(name='y max out', x0=x, y0=y+l)
+
+            # Add to tuple of surface names
+            for s in ('in', 'out'):
+                self._surface_names += (
+                    f'x_min_y_min_{s}', f'x_min_y_max_{s}',
+                    f'x_max_y_min_{s}', f'x_max_y_max_{s}',
+                    f'min_{s}', f'max_{s}')
+
+    def __neg__(self) -> openmc.Region:
+        prism = (
+            -self.plane_max & +self.plane_min &
+            -self.upper_right & -self.upper_left &
+            +self.lower_right & +self.lower_left
+        )
+
+        # Cut out corners if a corner radius was given
+        if hasattr(self, 'min_in'):
+            corners = (
+                +self.x_min_y_min_in & -self.x_min_y_min_out |
+                +self.x_min_y_max_in & -self.x_min_y_max_out |
+                +self.x_max_y_min_in & -self.x_max_y_min_out |
+                +self.x_max_y_max_in & -self.x_max_y_max_out |
+                +self.min_in & -self.min_out |
+                +self.max_in & -self.max_out
+            )
+            prism &= ~corners
+
+        return prism
diff --git a/openmc/region.py b/openmc/region.py
index 51e1820fe..534ee9b82 100644
--- a/openmc/region.py
+++ b/openmc/region.py
@@ -30,6 +30,11 @@ class Region(ABC):
     def __contains__(self, point):
         pass
 
+    @property
+    @abstractmethod
+    def bounding_box(self) -> BoundingBox:
+        pass
+
     @abstractmethod
     def __str__(self):
         pass
@@ -413,7 +418,7 @@ class Intersection(Region, MutableSequence):
         return '(' + ' '.join(map(str, self)) + ')'
 
     @property
-    def bounding_box(self):
+    def bounding_box(self) -> BoundingBox:
         box = BoundingBox.infinite()
         for n in self:
             box &= n.bounding_box
@@ -501,7 +506,7 @@ class Union(Region, MutableSequence):
         return '(' + ' | '.join(map(str, self)) + ')'
 
     @property
-    def bounding_box(self):
+    def bounding_box(self) -> BoundingBox:
         bbox = BoundingBox(np.array([np.inf]*3),
                            np.array([-np.inf]*3))
         for n in self:
@@ -571,7 +576,7 @@ class Complement(Region):
         self._node = node
 
     @property
-    def bounding_box(self):
+    def bounding_box(self) -> BoundingBox:
         # Use De Morgan's laws to distribute the complement operator so that it
         # only applies to surface half-spaces, thus allowing us to calculate the
         # bounding box in the usual recursive manner.
diff --git a/tests/regression_tests/adj_cell_rotation/test.py b/tests/regression_tests/adj_cell_rotation/test.py
index 9b867c18e..3fe240536 100644
--- a/tests/regression_tests/adj_cell_rotation/test.py
+++ b/tests/regression_tests/adj_cell_rotation/test.py
@@ -24,14 +24,14 @@ def model():
 
     # Create one cell on top of the other. Only one
     # has a rotation
-    box = openmc.rectangular_prism(15., 15., 'z', boundary_type='vacuum')
+    box = openmc.model.RectangularPrism(15., 15., 'z', boundary_type='vacuum')
     lower_z = openmc.ZPlane(-7.5, boundary_type='vacuum')
     upper_z = openmc.ZPlane(22.5, boundary_type='vacuum')
     middle_z = openmc.ZPlane(7.5)
 
-    lower_cell = openmc.Cell(fill=univ, region=box & +lower_z & -middle_z)
+    lower_cell = openmc.Cell(fill=univ, region=-box & +lower_z & -middle_z)
     lower_cell.rotation = (10, 20, 30)
-    upper_cell = openmc.Cell(fill=univ, region=box & +middle_z & -upper_z)
+    upper_cell = openmc.Cell(fill=univ, region=-box & +middle_z & -upper_z)
     upper_cell.translation = (0, 0, 15)
 
     model.geometry = openmc.Geometry(root=[lower_cell, upper_cell])
diff --git a/tests/regression_tests/cpp_driver/test.py b/tests/regression_tests/cpp_driver/test.py
index e8b1c62ac..79c30967c 100644
--- a/tests/regression_tests/cpp_driver/test.py
+++ b/tests/regression_tests/cpp_driver/test.py
@@ -92,10 +92,9 @@ def model():
     lattice.pitch = (4.0, 4.0)
     lattice.lower_left = (-4.0, -4.0)
     lattice.universes = [[extra_univ, extra_univ], [extra_univ, extra_univ]]
-    lattice_region = openmc.model.rectangular_prism(8.0,
-                                                    8.0,
-                                                    boundary_type='reflective')
-    lattice_cell = openmc.Cell(fill=lattice, region=lattice_region)
+    lattice_prism = openmc.model.RectangularPrism(
+        8.0, 8.0, boundary_type='reflective')
+    lattice_cell = openmc.Cell(fill=lattice, region=-lattice_prism)
 
     model.geometry = openmc.Geometry([lattice_cell])
 
diff --git a/tests/regression_tests/deplete_decay_only/test.py b/tests/regression_tests/deplete_decay_only/test.py
index cb716a5ad..4345b86b8 100644
--- a/tests/regression_tests/deplete_decay_only/test.py
+++ b/tests/regression_tests/deplete_decay_only/test.py
@@ -36,8 +36,8 @@ def model():
 
     pin_surfaces = [openmc.ZCylinder(r=r) for r in radii]
     pin_univ = openmc.model.pin(pin_surfaces, materials)
-    bound_box = openmc.rectangular_prism(1.24, 1.24, boundary_type="reflective")
-    root_cell = openmc.Cell(fill=pin_univ, region=bound_box)
+    bound_box = openmc.model.RectangularPrism(1.24, 1.24, boundary_type="reflective")
+    root_cell = openmc.Cell(fill=pin_univ, region=-bound_box)
     geometry = openmc.Geometry([root_cell])
 
     settings = openmc.Settings()
diff --git a/tests/regression_tests/filter_cellinstance/test.py b/tests/regression_tests/filter_cellinstance/test.py
index 0d6ad9366..61f17d88a 100644
--- a/tests/regression_tests/filter_cellinstance/test.py
+++ b/tests/regression_tests/filter_cellinstance/test.py
@@ -60,8 +60,8 @@ def model():
         [u3, u3, u2, u3],
         [u3, u3, u3, u2]
     ]
-    box = openmc.model.rectangular_prism(8.0, 8.0, boundary_type='reflective')
-    main_cell = openmc.Cell(fill=lat, region=box)
+    box = openmc.model.RectangularPrism(8.0, 8.0, boundary_type='reflective')
+    main_cell = openmc.Cell(fill=lat, region=-box)
     model.geometry.root_universe = openmc.Universe(cells=[main_cell])
     model.geometry.determine_paths()
 
diff --git a/tests/regression_tests/filter_mesh/test.py b/tests/regression_tests/filter_mesh/test.py
index 62f0ed015..6214e0486 100644
--- a/tests/regression_tests/filter_mesh/test.py
+++ b/tests/regression_tests/filter_mesh/test.py
@@ -19,12 +19,12 @@ def model():
     zr.add_nuclide('Zr90', 1.0)
     model.materials.extend([fuel, zr])
 
-    box1 = openmc.model.rectangular_prism(10.0, 10.0)
-    box2 = openmc.model.rectangular_prism(20.0, 20.0, boundary_type='reflective')
+    box1 = openmc.model.RectangularPrism(10.0, 10.0)
+    box2 = openmc.model.RectangularPrism(20.0, 20.0, boundary_type='reflective')
     top = openmc.ZPlane(z0=10.0, boundary_type='vacuum')
     bottom = openmc.ZPlane(z0=-10.0, boundary_type='vacuum')
-    cell1 = openmc.Cell(fill=fuel, region=box1 & +bottom & -top)
-    cell2 = openmc.Cell(fill=zr, region=~box1 & box2 & +bottom & -top)
+    cell1 = openmc.Cell(fill=fuel, region=-box1 & +bottom & -top)
+    cell2 = openmc.Cell(fill=zr, region=+box1 & -box2 & +bottom & -top)
     model.geometry = openmc.Geometry([cell1, cell2])
 
     model.settings.batches = 5
diff --git a/tests/regression_tests/filter_translations/test.py b/tests/regression_tests/filter_translations/test.py
index d61667b01..4f0fe7141 100644
--- a/tests/regression_tests/filter_translations/test.py
+++ b/tests/regression_tests/filter_translations/test.py
@@ -19,12 +19,12 @@ def model():
     zr.add_nuclide('Zr90', 1.0)
     model.materials.extend([fuel, zr])
 
-    box1 = openmc.model.rectangular_prism(10.0, 10.0)
-    box2 = openmc.model.rectangular_prism(20.0, 20.0, boundary_type='reflective')
+    box1 = openmc.model.RectangularPrism(10.0, 10.0)
+    box2 = openmc.model.RectangularPrism(20.0, 20.0, boundary_type='reflective')
     top = openmc.ZPlane(z0=10.0, boundary_type='vacuum')
     bottom = openmc.ZPlane(z0=-10.0, boundary_type='vacuum')
-    cell1 = openmc.Cell(fill=fuel, region=box1 & +bottom & -top)
-    cell2 = openmc.Cell(fill=zr, region=~box1 & box2 & +bottom & -top)
+    cell1 = openmc.Cell(fill=fuel, region=-box1 & +bottom & -top)
+    cell2 = openmc.Cell(fill=zr, region=+box1 & -box2 & +bottom & -top)
     model.geometry = openmc.Geometry([cell1, cell2])
 
     model.settings.batches = 5
diff --git a/tests/regression_tests/lattice_hex_coincident/inputs_true.dat b/tests/regression_tests/lattice_hex_coincident/inputs_true.dat
index 7a83fb471..ac82de0ad 100644
--- a/tests/regression_tests/lattice_hex_coincident/inputs_true.dat
+++ b/tests/regression_tests/lattice_hex_coincident/inputs_true.dat
@@ -38,7 +38,7 @@
     <cell id="5" material="3" name="lead_shell" region="5 -6 2 -3" universe="2"/>
     <cell id="6" material="2" name="matrix coolant surround" region="6 2 -3" universe="2"/>
     <cell id="7" material="2" universe="3"/>
-    <cell fill="4" id="8" name="container cell" region="-7 8 -9 10 11 -12 2 -3" universe="5"/>
+    <cell fill="4" id="8" name="container cell" region="-7 8 -9 -12 10 11 2 -3" universe="5"/>
     <hex_lattice id="4" n_rings="2" name="regular fuel assembly">
       <pitch>1.4</pitch>
       <outer>3</outer>
diff --git a/tests/regression_tests/lattice_hex_coincident/test.py b/tests/regression_tests/lattice_hex_coincident/test.py
index 5a4760cd7..f971098c0 100644
--- a/tests/regression_tests/lattice_hex_coincident/test.py
+++ b/tests/regression_tests/lattice_hex_coincident/test.py
@@ -104,10 +104,10 @@ class HexLatticeCoincidentTestHarness(PyAPITestHarness):
         inf_mat_univ = openmc.Universe(cells=[inf_mat,])
 
         # a hex surface for the core to go inside of
-        hexprism = openmc.model.hexagonal_prism(edge_length=edge_length,
-                                                origin=(0.0, 0.0),
-                                                boundary_type = 'reflective',
-                                                orientation='x')
+        hexprism = openmc.model.HexagonalPrism(edge_length=edge_length,
+                                               origin=(0.0, 0.0),
+                                               boundary_type = 'reflective',
+                                               orientation='x')
 
         pincell_only_lattice = openmc.HexLattice(name="regular fuel assembly")
         pincell_only_lattice.center = (0., 0.)
@@ -120,7 +120,7 @@ class HexLatticeCoincidentTestHarness(PyAPITestHarness):
         pincell_only_lattice.universes = [ring1, ring0]
 
         pincell_only_cell = openmc.Cell(name="container cell")
-        pincell_only_cell.region = hexprism & +fuel_btm & -fuel_top
+        pincell_only_cell.region = -hexprism & +fuel_btm & -fuel_top
         pincell_only_cell.fill = pincell_only_lattice
 
         root_univ = openmc.Universe(name="root universe", cells=[pincell_only_cell,])
diff --git a/tests/regression_tests/lattice_hex_x/inputs_true.dat b/tests/regression_tests/lattice_hex_x/inputs_true.dat
index 2946258e8..252fbfc0b 100644
--- a/tests/regression_tests/lattice_hex_x/inputs_true.dat
+++ b/tests/regression_tests/lattice_hex_x/inputs_true.dat
@@ -42,7 +42,7 @@
     <cell id="10" material="4" region="-8 7" universe="3"/>
     <cell id="11" material="2" region="8" universe="3"/>
     <cell id="12" material="2" universe="4"/>
-    <cell fill="6" id="13" name="container assembly cell" region="-11 12 -13 14 15 -16 9 -10" universe="5"/>
+    <cell fill="6" id="13" name="container assembly cell" region="-11 12 -13 -16 14 15 9 -10" universe="5"/>
     <hex_lattice id="6" n_axial="2" n_rings="11" name="regular fuel assembly" orientation="x">
       <pitch>1.235 5.0</pitch>
       <outer>4</outer>
diff --git a/tests/regression_tests/lattice_hex_x/test.py b/tests/regression_tests/lattice_hex_x/test.py
index 23aec77d3..dd5c53d0c 100644
--- a/tests/regression_tests/lattice_hex_x/test.py
+++ b/tests/regression_tests/lattice_hex_x/test.py
@@ -139,11 +139,11 @@ class HexLatticeOXTestHarness(PyAPITestHarness):
 
         # a hex surface for the core to go inside of
 
-        hexprism = openmc.model.hexagonal_prism(edge_length=edge_length,
-                                                origin=(0.0,  0.0),
-                                                boundary_type='reflective',
-                                                orientation='x')
-        region = hexprism & +fuel_bottom & -fuel_top
+        hexprism = openmc.model.HexagonalPrism(edge_length=edge_length,
+                                               origin=(0.0,  0.0),
+                                               boundary_type='reflective',
+                                               orientation='x')
+        region = -hexprism & +fuel_bottom & -fuel_top
 
         inf_mat = openmc.Cell(cell_id=12)
         inf_mat.fill = coolant
diff --git a/tests/regression_tests/lattice_multiple/test.py b/tests/regression_tests/lattice_multiple/test.py
index c287c0102..10d9e50bc 100644
--- a/tests/regression_tests/lattice_multiple/test.py
+++ b/tests/regression_tests/lattice_multiple/test.py
@@ -42,8 +42,8 @@ def model():
     lattice.pitch = (2*d, 2*d)
     lattice.universes = np.full((2, 2), inner_univ)
 
-    box = openmc.model.rectangular_prism(4*d, 4*d, boundary_type='reflective')
-    main_cell = openmc.Cell(fill=lattice, region=box)
+    box = openmc.model.RectangularPrism(4*d, 4*d, boundary_type='reflective')
+    main_cell = openmc.Cell(fill=lattice, region=-box)
     model.geometry = openmc.Geometry([main_cell])
 
     model.settings.batches = 10
diff --git a/tests/regression_tests/mg_temperature_multi/test.py b/tests/regression_tests/mg_temperature_multi/test.py
index 2090f1b0c..404c8c0cd 100755
--- a/tests/regression_tests/mg_temperature_multi/test.py
+++ b/tests/regression_tests/mg_temperature_multi/test.py
@@ -108,14 +108,14 @@ def test_mg_temperature_multi():
 
     # Create a region represented as the inside of a rectangular prism
     pitch = 1.26
-    box = openmc.rectangular_prism(pitch, pitch, boundary_type='reflective')
+    box = openmc.model.RectangularPrism(pitch, pitch, boundary_type='reflective')
 
     # Instantiate Cells
     fuel_inner = openmc.Cell(fill=uo2, region=-fuel_ir, name='fuel inner')
     fuel_inner.temperature = 600.0
     fuel_outer = openmc.Cell(fill=uo2, region=+fuel_ir & -fuel_or, name='fuel outer')
     fuel_outer.temperature = 294.0
-    moderator = openmc.Cell(fill=water, region=+fuel_or & box, name='moderator')
+    moderator = openmc.Cell(fill=water, region=+fuel_or & -box, name='moderator')
 
     # Create a geometry with the two cells and export to XML
     geometry = openmc.Geometry([fuel_inner, fuel_outer, moderator])
diff --git a/tests/regression_tests/mgxs_library_mesh/test.py b/tests/regression_tests/mgxs_library_mesh/test.py
index 3660d3eb7..89c68a75a 100644
--- a/tests/regression_tests/mgxs_library_mesh/test.py
+++ b/tests/regression_tests/mgxs_library_mesh/test.py
@@ -19,12 +19,12 @@ def model():
     zr.add_nuclide('Zr90', 1.0)
     model.materials.extend([fuel, zr])
 
-    box1 = openmc.model.rectangular_prism(10.0, 10.0)
-    box2 = openmc.model.rectangular_prism(20.0, 20.0, boundary_type='reflective')
+    box1 = openmc.model.RectangularPrism(10.0, 10.0)
+    box2 = openmc.model.RectangularPrism(20.0, 20.0, boundary_type='reflective')
     top = openmc.ZPlane(z0=10.0, boundary_type='vacuum')
     bottom = openmc.ZPlane(z0=-10.0, boundary_type='vacuum')
-    cell1 = openmc.Cell(fill=fuel, region=box1 & +bottom & -top)
-    cell2 = openmc.Cell(fill=zr, region=~box1 & box2 & +bottom & -top)
+    cell1 = openmc.Cell(fill=fuel, region=-box1 & +bottom & -top)
+    cell2 = openmc.Cell(fill=zr, region=+box1 & -box2 & +bottom & -top)
     model.geometry = openmc.Geometry([cell1, cell2])
 
     model.settings.batches = 5
diff --git a/tests/regression_tests/microxs/test.py b/tests/regression_tests/microxs/test.py
index dbdb1c8fe..a35150a1b 100644
--- a/tests/regression_tests/microxs/test.py
+++ b/tests/regression_tests/microxs/test.py
@@ -34,8 +34,8 @@ def model():
 
     pin_surfaces = [openmc.ZCylinder(r=r) for r in radii]
     pin_univ = openmc.model.pin(pin_surfaces, materials)
-    bound_box = openmc.rectangular_prism(1.24, 1.24, boundary_type="reflective")
-    root_cell = openmc.Cell(fill=pin_univ, region=bound_box)
+    bound_box = openmc.model.RectangularPrism(1.24, 1.24, boundary_type="reflective")
+    root_cell = openmc.Cell(fill=pin_univ, region=-bound_box)
     geometry = openmc.Geometry([root_cell])
 
     settings = openmc.Settings()
diff --git a/tests/regression_tests/periodic_hex/test.py b/tests/regression_tests/periodic_hex/test.py
index a21819b1a..db9f6cfd5 100644
--- a/tests/regression_tests/periodic_hex/test.py
+++ b/tests/regression_tests/periodic_hex/test.py
@@ -12,8 +12,8 @@ def hex_model():
     fuel.add_nuclide('U235', 1.0)
     fuel.set_density('g/cc', 4.5)
 
-    hex_region = openmc.model.hexagonal_prism(10.0, boundary_type='periodic')
-    cell = openmc.Cell(fill=fuel, region=hex_region)
+    hex_prism = openmc.model.HexagonalPrism(10.0, boundary_type='periodic')
+    cell = openmc.Cell(fill=fuel, region=-hex_prism)
     model.geometry = openmc.Geometry([cell])
 
     # Define settings
diff --git a/tests/regression_tests/score_current/test.py b/tests/regression_tests/score_current/test.py
index 1309584d2..a338a6626 100644
--- a/tests/regression_tests/score_current/test.py
+++ b/tests/regression_tests/score_current/test.py
@@ -16,12 +16,12 @@ def model():
     zr.add_nuclide('Zr90', 1.0)
     model.materials.extend([fuel, zr])
 
-    box1 = openmc.model.rectangular_prism(10.0, 10.0)
-    box2 = openmc.model.rectangular_prism(20.0, 20.0, boundary_type='reflective')
+    box1 = openmc.model.RectangularPrism(10.0, 10.0)
+    box2 = openmc.model.RectangularPrism(20.0, 20.0, boundary_type='reflective')
     top = openmc.ZPlane(z0=10.0, boundary_type='vacuum')
     bottom = openmc.ZPlane(z0=-10.0, boundary_type='vacuum')
-    cell1 = openmc.Cell(fill=fuel, region=box1 & +bottom & -top)
-    cell2 = openmc.Cell(fill=zr, region=~box1 & box2 & +bottom & -top)
+    cell1 = openmc.Cell(fill=fuel, region=-box1 & +bottom & -top)
+    cell2 = openmc.Cell(fill=zr, region=+box1 & -box2 & +bottom & -top)
     model.geometry = openmc.Geometry([cell1, cell2])
 
     model.settings.batches = 5
diff --git a/tests/regression_tests/tally_aggregation/test.py b/tests/regression_tests/tally_aggregation/test.py
index a29839a6f..08d911660 100644
--- a/tests/regression_tests/tally_aggregation/test.py
+++ b/tests/regression_tests/tally_aggregation/test.py
@@ -33,8 +33,8 @@ def model():
         [pin, pin],
         [pin, pin],
     ]
-    box = openmc.model.rectangular_prism(2*d, 2*d, boundary_type='reflective')
-    main_cell = openmc.Cell(fill=lattice, region=box)
+    box = openmc.model.RectangularPrism(2*d, 2*d, boundary_type='reflective')
+    main_cell = openmc.Cell(fill=lattice, region=-box)
     model.geometry = openmc.Geometry([main_cell])
 
     model.settings.batches = 10
diff --git a/tests/unit_tests/test_deplete_coupled_operator.py b/tests/unit_tests/test_deplete_coupled_operator.py
index 4fa1dac2e..8765020de 100644
--- a/tests/unit_tests/test_deplete_coupled_operator.py
+++ b/tests/unit_tests/test_deplete_coupled_operator.py
@@ -38,8 +38,8 @@ def model():
 
     pin_surfaces = [openmc.ZCylinder(r=r) for r in radii]
     pin_univ = openmc.model.pin(pin_surfaces, materials)
-    bound_box = openmc.rectangular_prism(1.24, 1.24, boundary_type="reflective")
-    root_cell = openmc.Cell(fill=pin_univ, region=bound_box)
+    bound_box = openmc.model.RectangularPrism(1.24, 1.24, boundary_type="reflective")
+    root_cell = openmc.Cell(fill=pin_univ, region=-bound_box)
     geometry = openmc.Geometry([root_cell])
 
     settings = openmc.Settings()
diff --git a/tests/unit_tests/test_deplete_fission_yields.py b/tests/unit_tests/test_deplete_fission_yields.py
index b603710f3..1937e61e3 100644
--- a/tests/unit_tests/test_deplete_fission_yields.py
+++ b/tests/unit_tests/test_deplete_fission_yields.py
@@ -27,8 +27,8 @@ def materials(tmpdir_factory):
         mfuel.add_nuclide(nuclide, 1.0)
     openmc.Materials([mfuel]).export_to_xml()
     # Geometry
-    box = openmc.rectangular_prism(1.0, 1.0, boundary_type="reflective")
-    cell = openmc.Cell(fill=mfuel, region=box)
+    box = openmc.model.RectangularPrism(1.0, 1.0, boundary_type="reflective")
+    cell = openmc.Cell(fill=mfuel, region=-box)
     root = openmc.Universe(cells=[cell])
     openmc.Geometry(root).export_to_xml()
     # settings
diff --git a/tests/unit_tests/test_filter_mesh.py b/tests/unit_tests/test_filter_mesh.py
index 36beed25d..a8bd4996d 100644
--- a/tests/unit_tests/test_filter_mesh.py
+++ b/tests/unit_tests/test_filter_mesh.py
@@ -127,9 +127,9 @@ def test_cylindrical_mesh_coincident(scale, run_in_tmpdir):
     fuel.set_density('g/cm3', 4.5)
 
     zcyl = openmc.ZCylinder(r=1.25*scale)
-    box = openmc.rectangular_prism(4*scale, 4*scale, boundary_type='reflective')
+    box = openmc.model.RectangularPrism(4*scale, 4*scale, boundary_type='reflective')
     cell1 = openmc.Cell(fill=fuel, region=-zcyl)
-    cell2 = openmc.Cell(fill=None, region=+zcyl & box)
+    cell2 = openmc.Cell(fill=None, region=+zcyl & -box)
     model = openmc.Model()
     model.geometry = openmc.Geometry([cell1, cell2])
 
@@ -193,7 +193,7 @@ def test_spherical_mesh_coincident(scale, run_in_tmpdir):
         phi_grid=[0., 2*math.pi],
         theta_grid=[0., math.pi],
     )
-        
+
     sph_mesh_filter = openmc.MeshFilter(sph_mesh)
     cell_filter = openmc.CellFilter([cell1])
 
diff --git a/tests/unit_tests/test_filters.py b/tests/unit_tests/test_filters.py
index ff064d5c2..4ace59e72 100644
--- a/tests/unit_tests/test_filters.py
+++ b/tests/unit_tests/test_filters.py
@@ -10,8 +10,8 @@ def box_model():
     m.add_nuclide('U235', 1.0)
     m.set_density('g/cm3', 1.0)
 
-    box = openmc.model.rectangular_prism(10., 10., boundary_type='vacuum')
-    c = openmc.Cell(fill=m, region=box)
+    box = openmc.model.RectangularPrism(10., 10., boundary_type='vacuum')
+    c = openmc.Cell(fill=m, region=-box)
     model.geometry.root_universe = openmc.Universe(cells=[c])
 
     model.settings.particles = 100
diff --git a/tests/unit_tests/test_geometry.py b/tests/unit_tests/test_geometry.py
index ebb185642..ff94bc932 100644
--- a/tests/unit_tests/test_geometry.py
+++ b/tests/unit_tests/test_geometry.py
@@ -213,27 +213,27 @@ def test_get_by_name():
 
 
 def test_hex_prism():
-    hex_prism = openmc.model.hexagonal_prism(edge_length=5.0,
-                                             origin=(0.0, 0.0),
-                                             orientation='y')
+    hex_prism = openmc.model.HexagonalPrism(edge_length=5.0,
+                                            origin=(0.0, 0.0),
+                                            orientation='y')
     # clear checks
-    assert (0.0, 0.0, 0.0) in hex_prism
-    assert (10.0, 10.0, 10.0) not in hex_prism
+    assert (0.0, 0.0, 0.0) in -hex_prism
+    assert (10.0, 10.0, 10.0) not in -hex_prism
     # edge checks
-    assert (0.0, 5.01, 0.0) not in hex_prism
-    assert (0.0, 4.99, 0.0) in hex_prism
+    assert (0.0, 5.01, 0.0) not in -hex_prism
+    assert (0.0, 4.99, 0.0) in -hex_prism
 
-    rounded_hex_prism = openmc.model.hexagonal_prism(edge_length=5.0,
-                                                     origin=(0.0, 0.0),
-                                                     orientation='y',
-                                                     corner_radius=1.0)
+    rounded_hex_prism = openmc.model.HexagonalPrism(edge_length=5.0,
+                                                    origin=(0.0, 0.0),
+                                                    orientation='y',
+                                                    corner_radius=1.0)
 
     # clear checks
-    assert (0.0, 0.0, 0.0) in rounded_hex_prism
-    assert (10.0, 10.0, 10.0) not in rounded_hex_prism
+    assert (0.0, 0.0, 0.0) in -rounded_hex_prism
+    assert (10.0, 10.0, 10.0) not in -rounded_hex_prism
     # edge checks
-    assert (0.0, 5.01, 0.0) not in rounded_hex_prism
-    assert (0.0, 4.99, 0.0) not in rounded_hex_prism
+    assert (0.0, 5.01, 0.0) not in -rounded_hex_prism
+    assert (0.0, 4.99, 0.0) not in -rounded_hex_prism
 
 
 def test_get_lattice_by_name(cell_with_lattice):
diff --git a/tests/unit_tests/test_model.py b/tests/unit_tests/test_model.py
index f78f95637..682afb41a 100644
--- a/tests/unit_tests/test_model.py
+++ b/tests/unit_tests/test_model.py
@@ -35,8 +35,8 @@ def pin_model_attributes():
     pitch = 1.25984
     fuel_or = openmc.ZCylinder(r=0.39218, name='Fuel OR')
     clad_or = openmc.ZCylinder(r=0.45720, name='Clad OR')
-    box = openmc.model.rectangular_prism(pitch, pitch,
-                                         boundary_type='reflective')
+    box = openmc.model.RectangularPrism(pitch, pitch,
+                                        boundary_type='reflective')
 
     # Define cells
     fuel_inf_cell = openmc.Cell(cell_id=1, name='inf fuel', fill=uo2)
@@ -44,7 +44,7 @@ def pin_model_attributes():
     fuel = openmc.Cell(cell_id=2, name='fuel',
                        fill=fuel_inf_univ, region=-fuel_or)
     clad = openmc.Cell(cell_id=3, fill=zirc, region=+fuel_or & -clad_or)
-    water = openmc.Cell(cell_id=4, fill=borated_water, region=+clad_or & box)
+    water = openmc.Cell(cell_id=4, fill=borated_water, region=+clad_or & -box)
 
     # Define overall geometry
     geom = openmc.Geometry([fuel, clad, water])
@@ -566,4 +566,4 @@ def test_single_xml_exec(run_in_tmpdir):
     openmc.run(path_input='./inputs/pincell.xml')
 
     with pytest.raises(RuntimeError, match='input_dir'):
-        openmc.run(path_input='input_dir/pincell.xml')
\ No newline at end of file
+        openmc.run(path_input='input_dir/pincell.xml')
diff --git a/tests/unit_tests/test_no_visible_boundary.py b/tests/unit_tests/test_no_visible_boundary.py
index 8f07b8da9..7c53e4e3f 100644
--- a/tests/unit_tests/test_no_visible_boundary.py
+++ b/tests/unit_tests/test_no_visible_boundary.py
@@ -13,9 +13,9 @@ def test_no_visible_boundary(run_in_tmpdir):
     # disc of copper. Neutrons leaving the back of the disc see no surfaces in
     # front of them.
     disc = openmc.model.RightCircularCylinder((0., 0., 1.), 0.1, 1.2)
-    box = openmc.rectangular_prism(width=10, height=10, boundary_type='vacuum')
+    box = openmc.model.RectangularPrism(width=10, height=10, boundary_type='vacuum')
     c1 = openmc.Cell(fill=copper, region=-disc)
-    c2 = openmc.Cell(fill=air, region=+disc & box)
+    c2 = openmc.Cell(fill=air, region=+disc & -box)
     model = openmc.Model()
     model.geometry = openmc.Geometry([c1, c2])
     model.settings.run_mode = 'fixed source'

From 19f121a45a88f972a0a3fe2c7ec2482101415010 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Wed, 1 Nov 2023 12:19:27 -0500
Subject: [PATCH 1979/2654] Python mesh coordinates reorder (#2730)

Co-authored-by: Ethan Peterson <eepeterson3@gmail.com>
---
 openmc/mesh.py                                | 85 +++++++++----------
 .../unstructured_mesh/test.py                 |  2 +-
 tests/unit_tests/test_cylindrical_mesh.py     |  2 +-
 tests/unit_tests/test_mesh.py                 | 64 ++++++++++++--
 tests/unit_tests/test_spherical_mesh.py       |  2 +-
 5 files changed, 102 insertions(+), 53 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 4783bd1e1..a14cec5dc 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -179,18 +179,18 @@ class StructuredMesh(MeshBase):
         -------
         vertices : numpy.ndarray
             Returns a numpy.ndarray representing the coordinates of the mesh
-            vertices with a shape equal to (ndim, dim1 + 1, ..., dimn + 1).  Can be
-            unpacked along the first dimension with xx, yy, zz = mesh.vertices.
+            vertices with a shape equal to (dim1 + 1, ..., dimn + 1, ndim). X, Y, Z values
+            can be unpacked with xx, yy, zz = np.rollaxis(mesh.vertices, -1).
 
         """
         return self._generate_vertices(*self._grids)
 
     @staticmethod
     def _generate_vertices(i_grid, j_grid, k_grid):
-        """Returns an array with shape (3, i_grid.size+1, j_grid.size+1, k_grid.size+1)
+        """Returns an array with shape (i_grid.size, j_grid.size, k_grid.size, 3)
            containing the corner vertices of mesh elements.
         """
-        return np.stack(np.meshgrid(i_grid, j_grid, k_grid, indexing='ij'), axis=0)
+        return np.stack(np.meshgrid(i_grid, j_grid, k_grid, indexing='ij'), axis=-1)
 
     @staticmethod
     def _generate_edge_midpoints(grids):
@@ -206,7 +206,7 @@ class StructuredMesh(MeshBase):
         midpoint_grids : list of numpy.ndarray
             The edge midpoints for the i, j, and k midpoints of each element in
             i, j, k ordering. The shapes of the resulting grids are
-            [(3, ni-1, nj, nk), (3, ni, nj-1, nk), (3, ni, nj, nk-1)]
+            [(ni-1, nj, nk, 3), (ni, nj-1, nk, 3), (ni, nj, nk-1, 3)]
         """
         # generate a set of edge midpoints for each dimension
         midpoint_grids = []
@@ -216,7 +216,7 @@ class StructuredMesh(MeshBase):
         # each grid is comprised of the mid points for one dimension and the
         # corner vertices of the other two
         for dims in ((0, 1, 2), (1, 0, 2), (2, 0, 1)):
-            # compute the midpoints along the first dimension
+            # compute the midpoints along the last dimension
             midpoints = grids[dims[0]][:-1] + 0.5 * np.diff(grids[dims[0]])
 
             coords = (midpoints, grids[dims[1]], grids[dims[2]])
@@ -251,17 +251,16 @@ class StructuredMesh(MeshBase):
         -------
         centroids : numpy.ndarray
             Returns a numpy.ndarray representing the mesh element centroid
-            coordinates with a shape equal to (ndim, dim1, ..., dimn). Can be
-            unpacked along the first dimension with xx, yy, zz = mesh.centroids.
-
-
+            coordinates with a shape equal to (dim1, ..., dimn, ndim). X,
+            Y, Z values can be unpacked with xx, yy, zz =
+            np.rollaxis(mesh.centroids, -1).
         """
         ndim = self.n_dimension
         # this line ensures that the vertices aren't adjusted by the origin or
         # converted to the Cartesian system for cylindrical and spherical meshes
         vertices = StructuredMesh.vertices.fget(self)
-        s0 = (slice(None),) + (slice(0, -1),)*ndim
-        s1 = (slice(None),) + (slice(1, None),)*ndim
+        s0 = (slice(0, -1),)*ndim + (slice(None),)
+        s1 = (slice(1, None),)*ndim + (slice(None),)
         return (vertices[s0] + vertices[s1]) / 2
 
     @property
@@ -351,10 +350,8 @@ class StructuredMesh(MeshBase):
         import vtk
         from vtk.util import numpy_support as nps
 
-        vertices = self.vertices.T.reshape(-1, 3)
-
         vtkPts = vtk.vtkPoints()
-        vtkPts.SetData(nps.numpy_to_vtk(vertices, deep=True))
+        vtkPts.SetData(nps.numpy_to_vtk(np.swapaxes(self.vertices, 0, 2).reshape(-1, 3), deep=True))
         vtk_grid = vtk.vtkStructuredGrid()
         vtk_grid.SetPoints(vtkPts)
         vtk_grid.SetDimensions(*[dim + 1 for dim in self.dimension])
@@ -373,7 +370,7 @@ class StructuredMesh(MeshBase):
         import vtk
         from vtk.util import numpy_support as nps
 
-        corner_vertices = self.vertices.T.reshape(-1, 3)
+        corner_vertices = np.swapaxes(self.vertices, 0, 2).reshape(-1, 3)
 
         vtkPts = vtk.vtkPoints()
         vtk_grid = vtk.vtkUnstructuredGrid()
@@ -415,7 +412,7 @@ class StructuredMesh(MeshBase):
         # list of point IDs
         midpoint_vertices = self.midpoint_vertices
         for edge_grid in midpoint_vertices:
-            for pnt in edge_grid.T.reshape(-1, 3):
+            for pnt in np.swapaxes(edge_grid, 0, 2).reshape(-1, 3):
                 point_ids.append(_insert_point(pnt))
 
         # determine how many elements in each dimension
@@ -448,7 +445,7 @@ class StructuredMesh(MeshBase):
                 # initial offset for corner vertices and midpoint dimension
                 flat_idx = corner_vertices.shape[0] + sum(n_midpoint_vertices[:dim])
                 # generate a flat index into the table of point IDs
-                midpoint_shape = midpoint_vertices[dim].shape[1:]
+                midpoint_shape = midpoint_vertices[dim].shape[:-1]
                 flat_idx += np.ravel_multi_index((i+di, j+dj, k+dk),
                                                  midpoint_shape,
                                                  order='F')
@@ -1178,7 +1175,7 @@ class CylindricalMesh(StructuredMesh):
     Parameters
     ----------
     r_grid : numpy.ndarray
-        1-D array of mesh boundary points along the r-axis.
+        1-D array of mesh boundary points along the r-axis
         Requirement is r >= 0.
     z_grid : numpy.ndarray
         1-D array of mesh boundary points along the z-axis relative to the
@@ -1543,14 +1540,14 @@ class CylindricalMesh(StructuredMesh):
 
     @staticmethod
     def _convert_to_cartesian(arr, origin: Sequence[float]):
-        """Converts an array with xyz values in the first dimension (shape (3, ...))
+        """Converts an array with r, phi, z values in the last dimension (shape (..., 3))
         to Cartesian coordinates.
         """
-        x = arr[0, ...] * np.cos(arr[1, ...]) + origin[0]
-        y = arr[0, ...] * np.sin(arr[1, ...]) + origin[1]
-        arr[0, ...] = x
-        arr[1, ...] = y
-        arr[2, ...] += origin[2]
+        x = arr[..., 0] * np.cos(arr[..., 1]) + origin[0]
+        y = arr[..., 0] * np.sin(arr[..., 1]) + origin[1]
+        arr[..., 0] = x
+        arr[..., 1] = y
+        arr[..., 2] += origin[2]
         return arr
 
 
@@ -1839,16 +1836,16 @@ class SphericalMesh(StructuredMesh):
 
     @staticmethod
     def _convert_to_cartesian(arr, origin: Sequence[float]):
-        """Converts an array with xyz values in the first dimension (shape (3, ...))
+        """Converts an array with r, theta, phi values in the last dimension (shape (..., 3))
         to Cartesian coordinates.
         """
-        r_xy = arr[0, ...] * np.sin(arr[1, ...])
-        x = r_xy * np.cos(arr[2, ...])
-        y = r_xy * np.sin(arr[2, ...])
-        z = arr[0, ...] * np.cos(arr[1, ...])
-        arr[0, ...] = x + origin[0]
-        arr[1, ...] = y + origin[1]
-        arr[2, ...] = z + origin[2]
+        r_xy = arr[..., 0] * np.sin(arr[..., 1])
+        x = r_xy * np.cos(arr[..., 2])
+        y = r_xy * np.sin(arr[..., 2])
+        z = arr[..., 0] * np.cos(arr[..., 1])
+        arr[..., 0] = x + origin[0]
+        arr[..., 1] = y + origin[1]
+        arr[..., 2] = z + origin[2]
         return arr
 
 
@@ -1891,14 +1888,14 @@ class UnstructuredMesh(MeshBase):
     volumes : Iterable of float
         Volumes of the unstructured mesh elements
     centroids : numpy.ndarray
-        Centroids of the mesh elements with array shape (3, n_elements)
+        Centroids of the mesh elements with array shape (n_elements, 3)
 
     vertices : numpy.ndarray
-        Coordinates of the mesh vertices with array shape (3, n_elements)
+        Coordinates of the mesh vertices with array shape (n_elements, 3)
 
         .. versionadded:: 0.13.1
     connectivity : numpy.ndarray
-        Connectivity of the elements with array shape (8, n_elements)
+        Connectivity of the elements with array shape (n_elements, 8)
 
         .. versionadded:: 0.13.1
     element_types : Iterable of integers
@@ -1985,11 +1982,11 @@ class UnstructuredMesh(MeshBase):
 
     @property
     def vertices(self):
-        return self._vertices.T
+        return self._vertices
 
     @property
     def connectivity(self):
-        return self._connectivity.T
+        return self._connectivity
 
     @property
     def element_types(self):
@@ -1997,7 +1994,7 @@ class UnstructuredMesh(MeshBase):
 
     @property
     def centroids(self):
-        return np.array([self.centroid(i) for i in range(self.n_elements)]).T
+        return np.array([self.centroid(i) for i in range(self.n_elements)])
 
     @property
     def n_elements(self):
@@ -2053,11 +2050,11 @@ class UnstructuredMesh(MeshBase):
             x, y, z values of the element centroid
 
         """
-        conn = self.connectivity[:, bin]
+        conn = self.connectivity[bin]
         # remove invalid connectivity values
         conn = conn[conn >= 0]
-        coords = self.vertices[:, conn]
-        return coords.mean(axis=1)
+        coords = self.vertices[conn]
+        return coords.mean(axis=0)
 
     def write_vtk_mesh(self, **kwargs):
         """Map data to unstructured VTK mesh elements.
@@ -2120,12 +2117,12 @@ class UnstructuredMesh(MeshBase):
         grid = vtk.vtkUnstructuredGrid()
 
         vtk_pnts = vtk.vtkPoints()
-        vtk_pnts.SetData(nps.numpy_to_vtk(self.vertices.T))
+        vtk_pnts.SetData(nps.numpy_to_vtk(self.vertices))
         grid.SetPoints(vtk_pnts)
 
         n_skipped = 0
         elems = []
-        for elem_type, conn in zip(self.element_types, self.connectivity.T):
+        for elem_type, conn in zip(self.element_types, self.connectivity):
             if elem_type == self._LINEAR_TET:
                 elem = vtk.vtkTetra()
             elif elem_type == self._LINEAR_HEX:
diff --git a/tests/regression_tests/unstructured_mesh/test.py b/tests/regression_tests/unstructured_mesh/test.py
index 7c7961928..f3ba46e37 100644
--- a/tests/regression_tests/unstructured_mesh/test.py
+++ b/tests/regression_tests/unstructured_mesh/test.py
@@ -54,7 +54,7 @@ class UnstructuredMeshTest(PyAPITestHarness):
                 exp_vertex = (-10.0, -10.0, 10.0)
                 exp_centroid = (-9.0, -9.0, 9.0)
 
-            np.testing.assert_array_equal(umesh.vertices[:, 0], exp_vertex)
+            np.testing.assert_array_equal(umesh.vertices[0], exp_vertex)
             np.testing.assert_array_equal(umesh.centroid(0), exp_centroid)
 
             # loop over the tallies and get data
diff --git a/tests/unit_tests/test_cylindrical_mesh.py b/tests/unit_tests/test_cylindrical_mesh.py
index df0c5d2bb..b408bc0e9 100644
--- a/tests/unit_tests/test_cylindrical_mesh.py
+++ b/tests/unit_tests/test_cylindrical_mesh.py
@@ -98,7 +98,7 @@ def test_offset_mesh(run_in_tmpdir, model, estimator, origin):
         centroids = mesh.centroids
         for ijk in mesh.indices:
             i, j, k = np.array(ijk) - 1
-            if model.geometry.find(centroids[:, i, j, k]):
+            if model.geometry.find(centroids[i, j, k]):
                 mean[i, j, k] == 0.0
             else:
                 mean[i, j, k] != 0.0
diff --git a/tests/unit_tests/test_mesh.py b/tests/unit_tests/test_mesh.py
index 719451934..06d543610 100644
--- a/tests/unit_tests/test_mesh.py
+++ b/tests/unit_tests/test_mesh.py
@@ -4,6 +4,7 @@ import numpy as np
 import pytest
 import openmc
 
+from openmc import RegularMesh, RectilinearMesh, CylindricalMesh, SphericalMesh
 
 @pytest.mark.parametrize("val_left,val_right", [(0, 0), (-1., -1.), (2.0, 2)])
 def test_raises_error_when_flat(val_left, val_right):
@@ -162,29 +163,80 @@ def test_centroids():
     mesh.lower_left = (1., 2., 3.)
     mesh.upper_right = (11., 12., 13.)
     mesh.dimension = (1, 1, 1)
-    np.testing.assert_array_almost_equal(mesh.centroids[:, 0, 0, 0], [6., 7., 8.])
+    np.testing.assert_array_almost_equal(mesh.centroids[0, 0, 0], [6., 7., 8.])
 
     # rectilinear mesh
     mesh = openmc.RectilinearMesh()
     mesh.x_grid = [1., 11.]
     mesh.y_grid = [2., 12.]
     mesh.z_grid = [3., 13.]
-    np.testing.assert_array_almost_equal(mesh.centroids[:, 0, 0, 0], [6., 7., 8.])
+    np.testing.assert_array_almost_equal(mesh.centroids[0, 0, 0], [6., 7., 8.])
 
     # cylindrical mesh
     mesh = openmc.CylindricalMesh(r_grid=(0, 10), z_grid=(0, 10), phi_grid=(0, np.pi))
-    np.testing.assert_array_almost_equal(mesh.centroids[:, 0, 0, 0], [0.0, 5.0, 5.0])
+    np.testing.assert_array_almost_equal(mesh.centroids[0, 0, 0], [0.0, 5.0, 5.0])
     # ensure that setting an origin is handled correctly
     mesh.origin = (5.0, 0, -10)
-    np.testing.assert_array_almost_equal(mesh.centroids[:, 0, 0, 0], [5.0, 5.0, -5.0])
+    np.testing.assert_array_almost_equal(mesh.centroids[0, 0, 0], [5.0, 5.0, -5.0])
 
     # spherical mesh, single element xyz-positive octant
     mesh = openmc.SphericalMesh(r_grid=[0, 10], theta_grid=[0, 0.5*np.pi], phi_grid=[0, np.pi])
     x = 5.*np.cos(0.5*np.pi)*np.sin(0.25*np.pi)
     y = 5.*np.sin(0.5*np.pi)*np.sin(0.25*np.pi)
     z = 5.*np.sin(0.25*np.pi)
-    np.testing.assert_array_almost_equal(mesh.centroids[:, 0, 0, 0], [x, y, z])
+    np.testing.assert_array_almost_equal(mesh.centroids[0, 0, 0], [x, y, z])
 
     mesh.origin = (-5.0, -5.0, 5.0)
-    np.testing.assert_array_almost_equal(mesh.centroids[:, 0, 0, 0], [x-5.0, y-5.0, z+5.0])
+    np.testing.assert_array_almost_equal(mesh.centroids[0, 0, 0], [x-5.0, y-5.0, z+5.0])
+
+
+@pytest.mark.parametrize('mesh_type', ('regular', 'rectilinear', 'cylindrical', 'spherical'))
+def test_mesh_vertices(mesh_type):
+
+    ijk = (2, 3, 2)
+
+    # create a new mesh object
+    if mesh_type == 'regular':
+        mesh = openmc.RegularMesh()
+        ll = np.asarray([0.]*3)
+        width = np.asarray([0.5]*3)
+        mesh.lower_left = ll
+        mesh.width = width
+        mesh.dimension = (5, 7, 9)
+
+        # spot check that an element has the correct vertex coordinates asociated with it
+        # (using zero-indexing here)
+        exp_i_j_k = ll + np.asarray(ijk, dtype=float) * width
+        np.testing.assert_equal(mesh.vertices[ijk], exp_i_j_k)
+
+        # shift the mesh using the llc
+        shift  = np.asarray((3.0, 6.0, 10.0))
+        mesh.lower_left += shift
+        np.testing.assert_equal(mesh.vertices[ijk], exp_i_j_k+shift)
+    elif mesh_type == 'rectilinear':
+        mesh = openmc.RectilinearMesh()
+        w = np.asarray([0.5] * 3)
+        ll = np.asarray([0.]*3)
+        dims = (5, 7, 9)
+        mesh.x_grid = np.linspace(ll[0], w[0]*dims[0], dims[0])
+        mesh.y_grid = np.linspace(ll[1], w[1]*dims[1], dims[1])
+        mesh.z_grid = np.linspace(ll[2], w[2]*dims[2], dims[2])
+        exp_vert = np.asarray((mesh.x_grid[2], mesh.y_grid[3], mesh.z_grid[2]))
+        np.testing.assert_equal(mesh.vertices[ijk], exp_vert)
+    elif mesh_type == 'cylindrical':
+        r_grid = np.linspace(0, 5, 10)
+        z_grid = np.linspace(-10, 10, 20)
+        phi_grid = np.linspace(0, 2*np.pi, 8)
+        mesh = openmc.CylindricalMesh(r_grid=r_grid, z_grid=z_grid, phi_grid=phi_grid)
+        exp_vert = np.asarray((mesh.r_grid[2], mesh.phi_grid[3], mesh.z_grid[2]))
+        np.testing.assert_equal(mesh.vertices_cylindrical[ijk], exp_vert)
+    elif mesh_type == 'spherical':
+        r_grid = np.linspace(0, 13, 14)
+        theta_grid = np.linspace(0, np.pi, 11)
+        phi_grid = np.linspace(0, 2*np.pi, 7)
+        mesh = openmc.SphericalMesh(r_grid=r_grid, theta_grid=theta_grid, phi_grid=phi_grid)
+        exp_vert = np.asarray((mesh.r_grid[2], mesh.theta_grid[3], mesh.phi_grid[2]))
+        np.testing.assert_equal(mesh.vertices_spherical[ijk], exp_vert)
+
+
 
diff --git a/tests/unit_tests/test_spherical_mesh.py b/tests/unit_tests/test_spherical_mesh.py
index b491014cc..0b579be35 100644
--- a/tests/unit_tests/test_spherical_mesh.py
+++ b/tests/unit_tests/test_spherical_mesh.py
@@ -102,7 +102,7 @@ def test_offset_mesh(run_in_tmpdir, model, estimator, origin):
         centroids = mesh.centroids
         for ijk in mesh.indices:
             i, j, k = np.array(ijk) - 1
-            if model.geometry.find(centroids[:, i, j, k]):
+            if model.geometry.find(centroids[i, j, k]):
                 mean[i, j, k] == 0.0
             else:
                 mean[i, j, k] != 0.0

From 7aaccbbeee40e3cd3766de492a7ed4644c272dce Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 1 Nov 2023 19:56:28 -0500
Subject: [PATCH 1980/2654] Fix loop over particle coordinate levels for source
 domain rejection (#2751)

---
 src/source.cpp | 6 +++---
 1 file changed, 3 insertions(+), 3 deletions(-)

diff --git a/src/source.cpp b/src/source.cpp
index 3251ca0d0..3ddd903bf 100644
--- a/src/source.cpp
+++ b/src/source.cpp
@@ -222,10 +222,10 @@ SourceSite IndependentSource::sample(uint64_t* seed) const
             found = contains(domain_ids_, model::materials[mat_index]->id());
           }
         } else {
-          for (const auto& coord : p.coord()) {
+          for (int i = 0; i < p.n_coord(); i++) {
             auto id = (domain_type_ == DomainType::CELL)
-                        ? model::cells[coord.cell]->id_
-                        : model::universes[coord.universe]->id_;
+                        ? model::cells[p.coord(i).cell]->id_
+                        : model::universes[p.coord(i).universe]->id_;
             if ((found = contains(domain_ids_, id)))
               break;
           }

From 847e9b56af7ac007ce7a15b8ad66a25c2fe8ee9e Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Thu, 2 Nov 2023 02:30:36 +0000
Subject: [PATCH 1981/2654] added check for group name (#2752)

---
 openmc/filter.py | 1 +
 1 file changed, 1 insertion(+)

diff --git a/openmc/filter.py b/openmc/filter.py
index 311db94d1..c9457ceeb 100644
--- a/openmc/filter.py
+++ b/openmc/filter.py
@@ -1400,6 +1400,7 @@ class EnergyFilter(RealFilter):
 
         """
 
+        cv.check_value('group_structure', group_structure, openmc.mgxs.GROUP_STRUCTURES.keys())
         return cls(openmc.mgxs.GROUP_STRUCTURES[group_structure.upper()])
 
 

From fa2330103de61a864c958d1a7250f11e5dd91468 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Mon, 6 Nov 2023 14:50:16 -0600
Subject: [PATCH 1982/2654] Release of version 0.14.0 (#2754)

---
 docs/source/pythonapi/base.rst      |   1 +
 docs/source/releasenotes/0.14.0.rst | 284 ++++++++++++++++++++++++++++
 docs/source/releasenotes/index.rst  |   1 +
 docs/source/usersguide/plots.rst    | 104 +++++-----
 include/openmc/boundary_condition.h |   2 +
 include/openmc/version.h.in         |   2 +-
 openmc/__init__.py                  |   2 +-
 openmc/deplete/results.py           |   4 +
 openmc/model/surface_composite.py   |   4 +-
 openmc/plots.py                     |   2 +
 openmc/source.py                    |   2 +
 11 files changed, 353 insertions(+), 55 deletions(-)
 create mode 100644 docs/source/releasenotes/0.14.0.rst

diff --git a/docs/source/pythonapi/base.rst b/docs/source/pythonapi/base.rst
index afecaff53..e18423c58 100644
--- a/docs/source/pythonapi/base.rst
+++ b/docs/source/pythonapi/base.rst
@@ -160,6 +160,7 @@ Geometry Plotting
    :template: myclass.rst
 
    openmc.Plot
+   openmc.ProjectionPlot
    openmc.Plots
 
 Running OpenMC
diff --git a/docs/source/releasenotes/0.14.0.rst b/docs/source/releasenotes/0.14.0.rst
new file mode 100644
index 000000000..445edfa07
--- /dev/null
+++ b/docs/source/releasenotes/0.14.0.rst
@@ -0,0 +1,284 @@
+====================
+What's New in 0.14.0
+====================
+
+.. currentmodule:: openmc
+
+-------
+Summary
+-------
+
+This release of OpenMC includes many bug fixes, performance improvements, and
+several notable new features. Some of the highlights include projection plots,
+pulse height tallies for photons, weight window generation, and an ability to
+specify continuous removal or feed of nuclides/elements during depletion.
+Additionally, one of the longstanding annoyances of depletion calculations,
+namely the need to include initial "dilute" nuclides, has been eliminated. There
+are also a wide array of general improvements in the Python API.
+
+------------------------------------
+Compatibility Notes and Deprecations
+------------------------------------
+
+- The :class:`openmc.deplete.MicroXS` has been completely redesigned and
+  improved. See further comments below under "New Features". (`#2572
+  <https://github.com/openmc-dev/openmc/pull/2572>`_, `#2579
+  <https://github.com/openmc-dev/openmc/pull/2579>`_, `#2595
+  <https://github.com/openmc-dev/openmc/pull/2595>`_, `#2700
+  <https://github.com/openmc-dev/openmc/pull/2700>`_)
+- The ``rectangular_prism`` function has been replaced by the
+  :class:`openmc.model.RectangularPrism` class and the ``hexagonal_prism``
+  function has been replaced by the :class:`openmc.model.HexagonalPrism` class.
+  Note that whereas the ``rectangular_prism`` and ``hexagonal_prism`` functions
+  returned a region representing the interior of the prism, the new
+  :class:`~openmc.model.RectangularPrism` and
+  :class:`~openmc.model.HexagonalPrism` classes return composite surfaces, so
+  you need to use the unary ``-`` or ``+`` operators to obtain a region that can
+  be assigned to a cell. (`#2739
+  <https://github.com/openmc-dev/openmc/pull/2739>`_)
+- The ``Source`` class has been refactored and split up into three separate
+  classes: :class:`~openmc.IndependentSource`, :class:`~openmc.FileSource`, and
+  :class:`~openmc.CompiledSource`. (`#2524
+  <https://github.com/openmc-dev/openmc/pull/2524>`_)
+- The ``vertices`` and ``centroids`` attributes on mesh classes now always
+  return Cartesian coordinates and the shape of the returned arrays has changed
+  to allow `ijk` indexing using a tuple (i.e., `xyz = vertices[i, j, k]`).
+  (`#2711 <https://github.com/openmc-dev/openmc/pull/2711>`_)
+- The :attr:`openmc.Material.decay_photon_energy` attribute has been replaced by
+  the :meth:`openmc.Material.get_decay_photon_energy` method. (`#2715
+  <https://github.com/openmc-dev/openmc/pull/2715>`_)
+
+------------
+New Features
+------------
+
+- A new :class:`openmc.ProjectionPlot` class enables the generation of orthographic or
+  perspective projection plots. (`#1926
+  <https://github.com/openmc-dev/openmc/pull/1926>`_)
+- The :class:`openmc.model.RightCircularCylinder` class now supports optional
+  filleted edges. (`#2309 <https://github.com/openmc-dev/openmc/pull/2309>`_)
+- Continuous removal or feed of nuclides/elements between materials can now be
+  modeled during depletion via the
+  :meth:`openmc.deplete.abc.Integrator.add_transfer_rate` method. (`#2358
+  <https://github.com/openmc-dev/openmc/pull/2358>`_, `#2564
+  <https://github.com/openmc-dev/openmc/pull/2564>`_, `#2626
+  <https://github.com/openmc-dev/openmc/pull/2626>`_)
+- The MAGIC method for global weight window generation has been implemented as
+  part of the C++ API. (`#2359
+  <https://github.com/openmc-dev/openmc/pull/2359>`_)
+- A new capability for pulse height tallies (currently limited to photons) has
+  been added and can be used via the "pulse-height" tally score. (`#2452
+  <https://github.com/openmc-dev/openmc/pull/2452>`_)
+- A :class:`openmc.model.CruciformPrism` class has been added that provides a
+  generalized cruciform prism composite surface. (`#2457
+  <https://github.com/openmc-dev/openmc/pull/2457>`_)
+- Type hints have been added in various places throughout the Python API.
+  (`#2462 <https://github.com/openmc-dev/openmc/pull/2462>`_, `#2467
+  <https://github.com/openmc-dev/openmc/pull/2467>`_, `#2468
+  <https://github.com/openmc-dev/openmc/pull/2468>`_, `#2470
+  <https://github.com/openmc-dev/openmc/pull/2470>`_, `#2471
+  <https://github.com/openmc-dev/openmc/pull/2471>`_, `#2601
+  <https://github.com/openmc-dev/openmc/pull/2601>`_)
+- Voxel plots can now be generated through the :meth:`openmc.Plot.to_vtk`
+  method. (`#2464 <https://github.com/openmc-dev/openmc/pull/2464>`_)
+- The :class:`openmc.mgxs.EnergyGroups` class now allows you to alternatively
+  pass a string of the group structure name (e.g., "CCFE-709") instead of the
+  energy group boundaries. (`#2466
+  <https://github.com/openmc-dev/openmc/pull/2466>`_)
+- Several enhancements have been made to the :meth:`openmc.Universe.plot` method
+  (addition of axis labels with units, ability to show legend and/or outlines, automatic
+  determination of origin/width, ability to pass total number of pixels).
+  (`#2472 <https://github.com/openmc-dev/openmc/pull/2472>`_, `#2482
+  <https://github.com/openmc-dev/openmc/pull/2482>`_, `#2483
+  <https://github.com/openmc-dev/openmc/pull/2483>`_, `#2492
+  <https://github.com/openmc-dev/openmc/pull/2492>`_, `#2513
+  <https://github.com/openmc-dev/openmc/pull/2513>`_, `#2575
+  <https://github.com/openmc-dev/openmc/pull/2575>`_)
+- Functionality in the Python dealing with bounding boxes now relies on a new
+  :class:`openmc.BoundingBox` class. (`#2475
+  <https://github.com/openmc-dev/openmc/pull/2475>`_)
+- Users now have more flexibility in specifying nuclides and reactions in the
+  :func:`openmc.plot_xs` function. (`#2478
+  <https://github.com/openmc-dev/openmc/pull/2478>`_)
+- The import time of the :mod:`openmc` Python module has been improved by
+  deferring the import of matplotlib. (`#2488
+  <https://github.com/openmc-dev/openmc/pull/2488>`_)
+- Mesh clases in the Python API now support a ``bounding_box`` property. (`#2507
+  <https://github.com/openmc-dev/openmc/pull/2507>`_, `#2620
+  <https://github.com/openmc-dev/openmc/pull/2620>`_, `#2621
+  <https://github.com/openmc-dev/openmc/pull/2621>`_)
+- The ``Source`` class has been refactored and split up into three separate
+  classes: :class:`~openmc.IndependentSource`, :class:`~openmc.FileSource`, and
+  :class:`~openmc.CompiledSource`. (`#2524
+  <https://github.com/openmc-dev/openmc/pull/2524>`_)
+- Support was added for curvilinear elements when exporting cylindrical and
+  spherical meshes to VTK. (`#2533
+  <https://github.com/openmc-dev/openmc/pull/2533>`_)
+- The :class:`openmc.Tally` class now has a
+  :attr:`~openmc.Tally.multiply_density` attribute that indicates whether
+  reaction rate tallies should include the number density of the nuclide of
+  interest. (`#2539 <https://github.com/openmc-dev/openmc/pull/2539>`_)
+- The :func:`~openmc.wwinp_to_wws` function now supports ``wwinp`` files with
+  cylindrical or spherical meshes. (`#2556
+  <https://github.com/openmc-dev/openmc/pull/2556>`_)
+- Depletion no longer relies on adding initial "dilute" nuclides to each
+  depletable material in order to compute reaction rates. (`#2559
+  <https://github.com/openmc-dev/openmc/pull/2559>`_, `#2568
+  <https://github.com/openmc-dev/openmc/pull/2568>`_)
+- The :class:`openmc.deplete.Results` class now has
+  :meth:`~openmc.deplete.Results.get_mass` (`#2565
+  <https://github.com/openmc-dev/openmc/pull/2565>`_),
+  :meth:`~openmc.deplete.Results.get_activity` (`#2617
+  <https://github.com/openmc-dev/openmc/pull/2617>`_), and
+  :meth:`~openmc.deplete.Results.get_decay_heat` (`#2625
+  <https://github.com/openmc-dev/openmc/pull/2625>`_) methods.
+- The :meth:`openmc.deplete.StepResult.save` method now supports a ``path``
+  argument. (`#2567 <https://github.com/openmc-dev/openmc/pull/2567>`_)
+- The :class:`openmc.deplete.MicroXS` has been completely redesigned and
+  improved. First, it no longer relies on the :mod:`openmc.mgxs` module, no
+  longer subclasses :class:`pandas.DataFrame`, and doesn't require adding
+  initial "dilute" nuclides into material compositions. It now enables users to
+  specify an energy group structure to collect multigroup cross sections,
+  specify nuclides/reactions, and works with mesh domains in addition to the
+  existing domains. A new :func:`openmc.deplete.get_microxs_and_flux` function
+  was added that improves the workflow for calculating microscopic cross
+  sections along with fluxes. Altogether, these changes make it straightforward
+  to switch between coupled and independent operators for depletion/activation
+  calculations. (`#2572 <https://github.com/openmc-dev/openmc/pull/2572>`_,
+  `#2579 <https://github.com/openmc-dev/openmc/pull/2579>`_, `#2595
+  <https://github.com/openmc-dev/openmc/pull/2595>`_, `#2700
+  <https://github.com/openmc-dev/openmc/pull/2700>`_)
+- The :class:`openmc.Geometry` class now has ``merge_surfaces`` and
+  ``surface_precision`` arguments. (`#2602
+  <https://github.com/openmc-dev/openmc/pull/2602>`_)
+- Several predefined energy group structures have been added ("MPACT-51",
+  "MPACT-60", "MPACT-69", "SCALE-252"). (`#2614
+  <https://github.com/openmc-dev/openmc/pull/2614>`_)
+- When running a depletion calculation, you are now allowed to include nuclides
+  in the initial material compositions that do not have neutron cross sections
+  (decay-only nuclides). (`#2616
+  <https://github.com/openmc-dev/openmc/pull/2616>`_)
+- The :class:`~openmc.CylindricalMesh` and :class:`~openmc.SphericalMesh`
+  classes can now be fully formed using the constructor. (`#2619
+  <https://github.com/openmc-dev/openmc/pull/2619>`_)
+- A time cutoff can now be specified in the :attr:`openmc.Settings.cutoff`
+  attribute. (`#2631 <https://github.com/openmc-dev/openmc/pull/2631>`_)
+- The :meth:`openmc.Material.add_element` method now supports a
+  ``cross_sections`` argument that allows a cross section data source to be
+  specified. (`#2633 <https://github.com/openmc-dev/openmc/pull/2633>`_)
+- The :class:`~openmc.Cell` class now has a :meth:`~openmc.Cell.plot` method.
+  (`#2648 <https://github.com/openmc-dev/openmc/pull/2648>`_)
+- The :class:`~openmc.Geometry` class now has a :meth:`~openmc.Geometry.plot`
+  method. (`#2661 <https://github.com/openmc-dev/openmc/pull/2661>`_)
+- When weight window checks are performed can now be explicitly specified with
+  the :attr:`openmc.Settings.weight_window_checkpoints` attribute. (`#2670
+  <https://github.com/openmc-dev/openmc/pull/2670>`_)
+- The :class:`~openmc.Settings` class now has a
+  :attr:`~openmc.Settings.max_write_lost_particles` attribute that can limit the
+  number of lost particle files written. (`#2688
+  <https://github.com/openmc-dev/openmc/pull/2688>`_)
+- The :class:`~openmc.deplete.CoupledOperator` class now has a
+  ``diff_volume_method`` argument that specifies how the volume of new materials
+  should be determined. (`#2691
+  <https://github.com/openmc-dev/openmc/pull/2691>`_)
+- The :meth:`openmc.DAGMCUniverse.bounding_region` method now has a
+  ``padding_distance`` argument. (`#2701
+  <https://github.com/openmc-dev/openmc/pull/2701>`_)
+- A new :meth:`openmc.Material.get_decay_photon_energy` method replaces the
+  :attr:`decay_photon_energy` attribute and includes an ability to eliminate
+  low-importance points. This is facilitated by a new
+  :meth:`openmc.stats.Discrete.clip` method. (`#2715
+  <https://github.com/openmc-dev/openmc/pull/2715>`_)
+- The :meth:`openmc.model.Model.differentiate_depletable_mats` method allows
+  depletable materials to be differentiated independent of the depletion
+  calculation itself. (`#2718
+  <https://github.com/openmc-dev/openmc/pull/2718>`_)
+- Albedos can now be specified on surface boundary conditions. (`#2724
+  <https://github.com/openmc-dev/openmc/pull/2724>`_)
+
+---------
+Bug Fixes
+---------
+
+- Enable use of NCrystal materials in plot_xs (`#2435 <https://github.com/openmc-dev/openmc/pull/2435>`_)
+- Avoid segfault from extern "C" std::string (`#2455 <https://github.com/openmc-dev/openmc/pull/2455>`_)
+- Fix several issues with the Model class (`#2465 <https://github.com/openmc-dev/openmc/pull/2465>`_)
+- Provide alternative batch estimation message (`#2479 <https://github.com/openmc-dev/openmc/pull/2479>`_)
+- Correct index check for remove_tally (`#2494 <https://github.com/openmc-dev/openmc/pull/2494>`_)
+- Support for NCrystal material in from_xml_element (`#2496 <https://github.com/openmc-dev/openmc/pull/2496>`_)
+- Fix compilation with gcc 5 (`#2498 <https://github.com/openmc-dev/openmc/pull/2498>`_)
+- Fixed in the Tally::add_filter method (`#2501 <https://github.com/openmc-dev/openmc/pull/2501>`_)
+- Fix meaning of "masking" for plots (`#2510 <https://github.com/openmc-dev/openmc/pull/2510>`_)
+- Fix description of statepoint.batches in Settings class (`#2514 <https://github.com/openmc-dev/openmc/pull/2514>`_)
+- Reorder list initialization of Plot constructor (`#2519 <https://github.com/openmc-dev/openmc/pull/2519>`_)
+- Added mkdir to cwd argument in Model.run (`#2523 <https://github.com/openmc-dev/openmc/pull/2523>`_)
+- Fix export of spherical coordinates in SphericalMesh (`#2538 <https://github.com/openmc-dev/openmc/pull/2538>`_)
+- Add virtual destructor on PlottableInterface (`#2541 <https://github.com/openmc-dev/openmc/pull/2541>`_)
+- Ensure parent directory is created during depletion (`#2543 <https://github.com/openmc-dev/openmc/pull/2543>`_)
+- Fix potential out-of-bounds access in TimeFilter (`#2532 <https://github.com/openmc-dev/openmc/pull/2532>`_)
+- Remove use of sscanf for reading surface coefficients (`#2574 <https://github.com/openmc-dev/openmc/pull/2574>`_)
+- Fix torus intersection bug (`#2589 <https://github.com/openmc-dev/openmc/pull/2589>`_)
+- Multigroup per-thread cache fixes (`#2591 <https://github.com/openmc-dev/openmc/pull/2591>`_)
+- Bank surface source particles in all active cycles (`#2592 <https://github.com/openmc-dev/openmc/pull/2592>`_)
+- Fix for muir standard deviation (`#2598 <https://github.com/openmc-dev/openmc/pull/2598>`_)
+- Check for zero fission cross section (`#2600 <https://github.com/openmc-dev/openmc/pull/2600>`_)
+- XML read fixes in Plot classes (`#2623 <https://github.com/openmc-dev/openmc/pull/2623>`_)
+- Added infinity check in VolumeCalculation (`#2634 <https://github.com/openmc-dev/openmc/pull/2634>`_)
+- Fix sampling issue in Mixture distributions (`#2658 <https://github.com/openmc-dev/openmc/pull/2658>`_)
+- Prevent segfault in distance to boundary calculation (`#2659 <https://github.com/openmc-dev/openmc/pull/2659>`_)
+- Several CylindricalMesh fixes (`#2676
+  <https://github.com/openmc-dev/openmc/pull/2676>`_, `#2680
+  <https://github.com/openmc-dev/openmc/pull/2680>`_, `#2684
+  <https://github.com/openmc-dev/openmc/pull/2684>`_, `#2710
+  <https://github.com/openmc-dev/openmc/pull/2710>`_)
+- Add type checks on Intersection, Union, Complement (`#2685 <https://github.com/openmc-dev/openmc/pull/2685>`_)
+- Fixed typo in CF4Integrator docstring (`#2704 <https://github.com/openmc-dev/openmc/pull/2704>`_)
+- Ensure property setters are used in CylindricalMesh and SphericalMesh (`#2709 <https://github.com/openmc-dev/openmc/pull/2709>`_)
+- Fix sample_external_source bug (`#2713 <https://github.com/openmc-dev/openmc/pull/2713>`_)
+- Fix localization issue affecting openmc-plotter (`#2723 <https://github.com/openmc-dev/openmc/pull/2723>`_)
+- Correct openmc.lib wrapper for evaluate_legendre (`#2729 <https://github.com/openmc-dev/openmc/pull/2729>`_)
+- Bug fix in Region.from_expression during tokenization (`#2733 <https://github.com/openmc-dev/openmc/pull/2733>`_)
+- Fix bug in temperature interpolation (`#2734 <https://github.com/openmc-dev/openmc/pull/2734>`_)
+- Check for invalid domain IDs in volume calculations (`#2742 <https://github.com/openmc-dev/openmc/pull/2742>`_)
+- Skip boundary condition check for volume calculations (`#2743 <https://github.com/openmc-dev/openmc/pull/2743>`_)
+- Fix loop over coordinates for source domain rejection (`#2751 <https://github.com/openmc-dev/openmc/pull/2751>`_)
+
+------------
+Contributors
+------------
+
+- `April Novak <https://github.com/aprilnovak>`_
+- `Baptiste Mouginot <https://github.com/bam241>`_
+- `Ben Collins <https://github.com/bscollin>`_
+- `Chritopher Billingham <https://github.com/cadarache2014>`_
+- `Christopher Fichtlscherer <https://github.com/cfichtlscherer>`_
+- `Christina Cai <https://github.com/christinacai123>`_
+- `Lorenzo Chierici <https://github.com/church89>`_
+- `Huw Rhys Jones <https://github.com/dubway420>`_
+- `Emilio Castro <https://github.com/ecasglez>`_
+- `Erik Knudsen <https://github.com/ebknudsen>`_
+- `Ethan Peterson <https://github.com/eepeterson>`_
+- `Egor Afanasenko <https://github.com/egor1abs>`_
+- `Paul Wilson <https://github.com/gonuke>`_
+- `Gavin Ridley <https://github.com/gridley>`_
+- `Hunter Belanger <https://github.com/HunterBelanger>`_
+- `Jack Fletcher <https://github.com/j-fletcher>`_
+- `John Vincent Cauilan <https://github.com/johvincau>`_
+- `Josh May <https://github.com/joshmay1>`_
+- `John Tramm <https://github.com/jtramm>`_
+- `Kevin McLaughlin <https://github.com/kevinm387>`_
+- `Yue Jin <https://github.com/kingyue737>`_
+- `Lewis Gross <https://github.com/lewisgross1296>`_
+- `Luke Labrie-Cleary <https://github.com/LukeLabie>`_
+- `Patrick Myers <https://github.com/myerspat>`_
+- `Nicola Rizzi <https://github.com/nicriz>`_
+- `Yuvraj Jain <https://github.com/nutcasev15>`_
+- `Paul Romano <https://github.com/paulromano>`_
+- `Patrick Shriwise <https://github.com/pshriwise>`_
+- `Rosie Barker <https://github.com/rlbarker>`_
+- `Jonathan Shimwell <https://github.com/Shimwell>`_
+- `John Tchakerian <https://github.com/stchaker>`_
+- `Travis Labossiere-Hickman <https://github.com/tjlaboss>`_
+- `Xinyan Wang <https://github.com/XinyanBradley>`_
+- `Olek Yardas <https://github.com/yardasol>`_
+- `Zoe Prieto <https://github.com/zoeprieto>`_
diff --git a/docs/source/releasenotes/index.rst b/docs/source/releasenotes/index.rst
index 30b6d51de..6923101cc 100644
--- a/docs/source/releasenotes/index.rst
+++ b/docs/source/releasenotes/index.rst
@@ -7,6 +7,7 @@ Release Notes
 .. toctree::
   :maxdepth: 1
 
+  0.14.0
   0.13.3
   0.13.2
   0.13.1
diff --git a/docs/source/usersguide/plots.rst b/docs/source/usersguide/plots.rst
index 35a2aff61..2d588519c 100644
--- a/docs/source/usersguide/plots.rst
+++ b/docs/source/usersguide/plots.rst
@@ -126,27 +126,29 @@ will depend on the 3D viewer, but should be straightforward.
 Projection Plots
 ----------------
 
-.. image:: ../_images/hexlat_anim.gif
-   :width: 200px
+.. only:: html
 
-The :class:`openmc.ProjectionPlot` class presents an alternative method
-of producing 3D visualizations of OpenMC geometries. It was developed to
-overcome the primary shortcoming of voxel plots, that an enormous number
-of voxels must be employed to capture detailed geometric features.
-Projection plots perform volume rendering on material or
-cell volumes, with colors specified in the same manner as slice plots.
-This is done using the native ray tracing capabilities within OpenMC,
-so any geometry in which particles successfully run without overlaps
-or leaks will work with projection plots.
+   .. image:: ../_images/hexlat_anim.gif
+     :width: 200px
 
-One drawback of projection plots is that particle tracks cannot be overlaid
-on them at present. Moreover, checking for overlap regions is not currently possible with projection plots. The image heading this section can
-be created by adding the following code to the hexagonal lattice example packaged
-with OpenMC, before exporting to plots.xml.
+The :class:`openmc.ProjectionPlot` class presents an alternative method of
+producing 3D visualizations of OpenMC geometries. It was developed to overcome
+the primary shortcoming of voxel plots, that an enormous number of voxels must
+be employed to capture detailed geometric features. Projection plots perform
+volume rendering on material or cell volumes, with colors specified in the same
+manner as slice plots. This is done using the native ray tracing capabilities
+within OpenMC, so any geometry in which particles successfully run without
+overlaps or leaks will work with projection plots.
+
+One drawback of projection plots is that particle tracks cannot be overlaid on
+them at present. Moreover, checking for overlap regions is not currently
+possible with projection plots. The image heading this section can be created by
+adding the following code to the hexagonal lattice example packaged with OpenMC,
+before exporting to plots.xml.
 
 ::
 
-  r = 5 
+  r = 5
   import numpy as np
   for i in range(100):
       phi = 2 * np.pi * i/100
@@ -162,48 +164,46 @@ with OpenMC, before exporting to plots.xml.
       thisp.xs[iron] = 1.0
       thisp.wireframe_domains = [fuel]
       thisp.wireframe_thickness = 2
-  
+
       plot_file.append(thisp)
 
-This generates a sequence of png files which can be joined to form a gif.
-Each image specifies a different camera position using some simple periodic
-functions to create a perfectly looped gif. :attr:`ProjectionPlot.look_at`
-defines where the camera's centerline should point at.
-:attr:`ProjectionPlot.camera_position` similarly defines where the camera
-is situated in the universe level we seek to plot. The other settings
-resemble those employed by :class:`openmc.Plot`, with the exception of
-the :class:`ProjectionPlot.set_transparent` method and :attr:`ProjectionPlot.xs`
-dictionary. These are used to control volume rendering of material
-volumes. "xs" here stands for cross section, and it defines material
-opacities in units of inverse centimeters. Setting this value to a
-large number would make a material or cell opaque, and setting it to
-zero makes a material transparent. Thus, the :class:`ProjectionPlot.set_transparent`
-can be used to make all materials in the geometry transparent. From there,
-individual material or cell opacities can be tuned to produce the
-desired result.
+This generates a sequence of png files which can be joined to form a gif. Each
+image specifies a different camera position using some simple periodic functions
+to create a perfectly looped gif. :attr:`ProjectionPlot.look_at` defines where
+the camera's centerline should point at. :attr:`ProjectionPlot.camera_position`
+similarly defines where the camera is situated in the universe level we seek to
+plot. The other settings resemble those employed by :class:`openmc.Plot`, with
+the exception of the :class:`ProjectionPlot.set_transparent` method and
+:attr:`ProjectionPlot.xs` dictionary. These are used to control volume rendering
+of material volumes. "xs" here stands for cross section, and it defines material
+opacities in units of inverse centimeters. Setting this value to a large number
+would make a material or cell opaque, and setting it to zero makes a material
+transparent. Thus, the :class:`ProjectionPlot.set_transparent` can be used to
+make all materials in the geometry transparent. From there, individual material
+or cell opacities can be tuned to produce the desired result.
 
-Two camera projections are available when using these plots, perspective
-and orthographic. The default, perspective projection,
-is a cone of rays passing through each pixel which radiate from the camera
-position and span the field of view in the x and y positions. The horizontal
-field of view can be set with the :attr: `ProjectionPlot.horizontal_field_of_view` attribute,
-which is to be specified in units of degrees. The field of view only influences
-behavior in perspective projection mode.
+Two camera projections are available when using these plots, perspective and
+orthographic. The default, perspective projection, is a cone of rays passing
+through each pixel which radiate from the camera position and span the field of
+view in the x and y positions. The horizontal field of view can be set with the
+:attr: `ProjectionPlot.horizontal_field_of_view` attribute, which is to be
+specified in units of degrees. The field of view only influences behavior in
+perspective projection mode.
 
 In the orthographic projection, rays follow the same angle but originate from
-different points. The horizontal width of this plane of ray starting points
-may be set with the :attr: `ProjectionPlot.orthographic_width` element. If this element
-is nonzero, the orthographic projection is employed. Left to its default value
-of zero, the perspective projection is employed.
+different points. The horizontal width of this plane of ray starting points may
+be set with the :attr: `ProjectionPlot.orthographic_width` element. If this
+element is nonzero, the orthographic projection is employed. Left to its default
+value of zero, the perspective projection is employed.
 
-Lastly, projection plots come packaged with wireframe generation that
-can target either all surface/cell/material boundaries in the geometry,
-or only wireframing around specific regions. In the above example, we
-have set only the fuel region from the hexagonal lattice example to have
-a wireframe drawn around it. This is accomplished by setting the
-:attr: `ProjectionPlot.wireframe_domains`, which may be set to either material
-IDs or cell IDs. The :attr:`ProjectionPlot.wireframe_thickness`
-attribute sets the wireframe thickness in units of pixels.
+Lastly, projection plots come packaged with wireframe generation that can target
+either all surface/cell/material boundaries in the geometry, or only wireframing
+around specific regions. In the above example, we have set only the fuel region
+from the hexagonal lattice example to have a wireframe drawn around it. This is
+accomplished by setting the :attr: `ProjectionPlot.wireframe_domains`, which may
+be set to either material IDs or cell IDs. The
+:attr:`ProjectionPlot.wireframe_thickness` attribute sets the wireframe
+thickness in units of pixels.
 
 .. note:: When setting specific material or cell regions to have wireframes
           drawn around them, the plot must be colored by materials if wireframing
diff --git a/include/openmc/boundary_condition.h b/include/openmc/boundary_condition.h
index fde860dbc..e63e232e9 100644
--- a/include/openmc/boundary_condition.h
+++ b/include/openmc/boundary_condition.h
@@ -18,6 +18,8 @@ class Surface;
 
 class BoundaryCondition {
 public:
+  virtual ~BoundaryCondition() = default;
+
   //! Perform tracking operations for a particle that strikes the boundary.
   //! \param p The particle that struck the boundary.  This class is not meant
   //!   to directly modify anything about the particle, but it will do so
diff --git a/include/openmc/version.h.in b/include/openmc/version.h.in
index e1c2b0541..a518e0d63 100644
--- a/include/openmc/version.h.in
+++ b/include/openmc/version.h.in
@@ -10,7 +10,7 @@ namespace openmc {
 constexpr int VERSION_MAJOR {@OPENMC_VERSION_MAJOR@};
 constexpr int VERSION_MINOR {@OPENMC_VERSION_MINOR@};
 constexpr int VERSION_RELEASE {@OPENMC_VERSION_RELEASE@};
-constexpr bool VERSION_DEV {true};
+constexpr bool VERSION_DEV {false};
 constexpr std::array<int, 3> VERSION {VERSION_MAJOR, VERSION_MINOR, VERSION_RELEASE};
 // clang-format on
 
diff --git a/openmc/__init__.py b/openmc/__init__.py
index 03d373121..8369fd7a4 100644
--- a/openmc/__init__.py
+++ b/openmc/__init__.py
@@ -39,4 +39,4 @@ from .config import *
 from openmc.model import Model
 
 
-__version__ = '0.14.0-dev'
+__version__ = '0.14.0'
diff --git a/openmc/deplete/results.py b/openmc/deplete/results.py
index 652896ab5..d9e467322 100644
--- a/openmc/deplete/results.py
+++ b/openmc/deplete/results.py
@@ -104,6 +104,8 @@ class Results(list):
     ) -> Tuple[np.ndarray, typing.Union[np.ndarray, List[dict]]]:
         """Get activity of material over time.
 
+        .. versionadded:: 0.14.0
+
         Parameters
         ----------
         mat : openmc.Material, str
@@ -220,6 +222,8 @@ class Results(list):
     ) -> Tuple[np.ndarray, typing.Union[np.ndarray, List[dict]]]:
         """Get decay heat of material over time.
 
+        .. versionadded:: 0.14.0
+
         Parameters
         ----------
         mat : openmc.Material, str
diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index eb5a7e740..e4b7020d8 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -1321,7 +1321,7 @@ def _plane(axis, name, value, boundary_type='transmission', albedo=1.0):
 class RectangularPrism(CompositeSurface):
     """Infinite rectangular prism bounded by four planar surfaces.
 
-    .. versionadded:: 0.13.4
+    .. versionadded:: 0.14.0
 
     Parameters
     ----------
@@ -1445,6 +1445,8 @@ class RectangularPrism(CompositeSurface):
 class HexagonalPrism(CompositeSurface):
     """Hexagonal prism comoposed of six planar surfaces
 
+    .. versionadded:: 0.14.0
+
     Parameters
     ----------
     edge_length : float
diff --git a/openmc/plots.py b/openmc/plots.py
index 5170a3e7d..626056d79 100644
--- a/openmc/plots.py
+++ b/openmc/plots.py
@@ -990,6 +990,8 @@ class ProjectionPlot(PlotBase):
     projections are more similar to a pinhole camera, and orthographic projections
     preserve parallel lines and distances.
 
+    .. versionadded:: 0.14.0
+
     Parameters
     ----------
     plot_id : int
diff --git a/openmc/source.py b/openmc/source.py
index c95bf87b0..98b7673b1 100644
--- a/openmc/source.py
+++ b/openmc/source.py
@@ -121,6 +121,8 @@ class SourceBase(ABC):
 class IndependentSource(SourceBase):
     """Distribution of phase space coordinates for source sites.
 
+    .. versionadded:: 0.14.0
+
     Parameters
     ----------
     space : openmc.stats.Spatial

From 7c1460331276ca2c0cc909a3e991dff177f86bca Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Mon, 6 Nov 2023 21:04:19 -0600
Subject: [PATCH 1983/2654] Change version number to 0.14.1-dev (#2760)

---
 CMakeLists.txt              | 2 +-
 docs/source/conf.py         | 2 +-
 include/openmc/version.h.in | 2 +-
 openmc/__init__.py          | 2 +-
 4 files changed, 4 insertions(+), 4 deletions(-)

diff --git a/CMakeLists.txt b/CMakeLists.txt
index d704dba39..24b855977 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -4,7 +4,7 @@ project(openmc C CXX)
 # Set version numbers
 set(OPENMC_VERSION_MAJOR 0)
 set(OPENMC_VERSION_MINOR 14)
-set(OPENMC_VERSION_RELEASE 0)
+set(OPENMC_VERSION_RELEASE 1)
 set(OPENMC_VERSION ${OPENMC_VERSION_MAJOR}.${OPENMC_VERSION_MINOR}.${OPENMC_VERSION_RELEASE})
 configure_file(include/openmc/version.h.in "${CMAKE_BINARY_DIR}/include/openmc/version.h" @ONLY)
 
diff --git a/docs/source/conf.py b/docs/source/conf.py
index 735f01b2f..b2a4a6758 100644
--- a/docs/source/conf.py
+++ b/docs/source/conf.py
@@ -71,7 +71,7 @@ copyright = '2011-2023, Massachusetts Institute of Technology, UChicago Argonne
 # The short X.Y version.
 version = "0.14"
 # The full version, including alpha/beta/rc tags.
-release = "0.14.0"
+release = "0.14.1-dev"
 
 # The language for content autogenerated by Sphinx. Refer to documentation
 # for a list of supported languages.
diff --git a/include/openmc/version.h.in b/include/openmc/version.h.in
index a518e0d63..e1c2b0541 100644
--- a/include/openmc/version.h.in
+++ b/include/openmc/version.h.in
@@ -10,7 +10,7 @@ namespace openmc {
 constexpr int VERSION_MAJOR {@OPENMC_VERSION_MAJOR@};
 constexpr int VERSION_MINOR {@OPENMC_VERSION_MINOR@};
 constexpr int VERSION_RELEASE {@OPENMC_VERSION_RELEASE@};
-constexpr bool VERSION_DEV {false};
+constexpr bool VERSION_DEV {true};
 constexpr std::array<int, 3> VERSION {VERSION_MAJOR, VERSION_MINOR, VERSION_RELEASE};
 // clang-format on
 
diff --git a/openmc/__init__.py b/openmc/__init__.py
index 8369fd7a4..17b0abe2f 100644
--- a/openmc/__init__.py
+++ b/openmc/__init__.py
@@ -39,4 +39,4 @@ from .config import *
 from openmc.model import Model
 
 
-__version__ = '0.14.0'
+__version__ = '0.14.1-dev'

From 910d1df1c9da70babab3e64a0e214b7bfc14637d Mon Sep 17 00:00:00 2001
From: nplinden <57541749+nplinden@users.noreply.github.com>
Date: Thu, 9 Nov 2023 14:13:30 +0100
Subject: [PATCH 1984/2654] fix unit conversion in
 openmc.deplete.Results.get_mass (#2761)

Co-authored-by: Nicolas Linden <n.linden@naarea.fr>
---
 openmc/deplete/results.py                    | 2 +-
 tests/unit_tests/test_deplete_resultslist.py | 2 +-
 2 files changed, 2 insertions(+), 2 deletions(-)

diff --git a/openmc/deplete/results.py b/openmc/deplete/results.py
index d9e467322..2e537a1b7 100644
--- a/openmc/deplete/results.py
+++ b/openmc/deplete/results.py
@@ -318,7 +318,7 @@ class Results(list):
             # Divide by volume to get density
             mass /= self[0].volume[mat_id]
         elif mass_units == "kg":
-            mass *= 1e3
+            mass /= 1e3
 
         return times, mass
 
diff --git a/tests/unit_tests/test_deplete_resultslist.py b/tests/unit_tests/test_deplete_resultslist.py
index 190affea9..b22a78650 100644
--- a/tests/unit_tests/test_deplete_resultslist.py
+++ b/tests/unit_tests/test_deplete_resultslist.py
@@ -111,7 +111,7 @@ def test_get_mass(res):
     assert n_cm3 == pytest.approx(n_ref / volume)
 
     t_min, n_bcm = res.get_mass("1", "Xe135", mass_units="kg", time_units="min")
-    assert n_bcm == pytest.approx(n_ref * 1e3)
+    assert n_bcm == pytest.approx(n_ref / 1e3)
     assert t_min == pytest.approx(t_ref / 60)
 
     t_hour, _n = res.get_mass("1", "Xe135", time_units="h")

From a3695c784eaddd74549f50b79567bc3d12254e79 Mon Sep 17 00:00:00 2001
From: Baptiste Mouginot <15145274+bam241@users.noreply.github.com>
Date: Thu, 9 Nov 2023 17:05:42 +0100
Subject: [PATCH 1985/2654] Filter material from (#2750)

Co-authored-by: Patrick Shriwise <pshriwise@gmail.com>
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 CMakeLists.txt                                |  1 +
 docs/source/pythonapi/base.rst                |  1 +
 include/openmc/particle_data.h                |  1 +
 include/openmc/tallies/filter.h               |  1 +
 include/openmc/tallies/filter_material.h      |  2 +-
 include/openmc/tallies/filter_materialfrom.h  | 29 +++++++++++++++++
 openmc/filter.py                              | 32 ++++++++++++++++---
 openmc/lib/filter.py                          |  7 +++-
 src/tallies/filter.cpp                        |  3 ++
 src/tallies/filter_materialfrom.cpp           | 24 ++++++++++++++
 .../surface_tally/inputs_true.dat             |  2 +-
 tests/regression_tests/surface_tally/test.py  |  6 ++--
 12 files changed, 99 insertions(+), 10 deletions(-)
 create mode 100644 include/openmc/tallies/filter_materialfrom.h
 create mode 100644 src/tallies/filter_materialfrom.cpp

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 24b855977..7269f4e63 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -406,6 +406,7 @@ list(APPEND libopenmc_SOURCES
   src/tallies/filter_energyfunc.cpp
   src/tallies/filter_legendre.cpp
   src/tallies/filter_material.cpp
+  src/tallies/filter_materialfrom.cpp
   src/tallies/filter_mesh.cpp
   src/tallies/filter_meshsurface.cpp
   src/tallies/filter_mu.cpp
diff --git a/docs/source/pythonapi/base.rst b/docs/source/pythonapi/base.rst
index e18423c58..ba86db117 100644
--- a/docs/source/pythonapi/base.rst
+++ b/docs/source/pythonapi/base.rst
@@ -118,6 +118,7 @@ Constructing Tallies
    openmc.Filter
    openmc.UniverseFilter
    openmc.MaterialFilter
+   openmc.MaterialFromFilter
    openmc.CellFilter
    openmc.CellFromFilter
    openmc.CellBornFilter
diff --git a/include/openmc/particle_data.h b/include/openmc/particle_data.h
index d0813f9c5..ee34c3052 100644
--- a/include/openmc/particle_data.h
+++ b/include/openmc/particle_data.h
@@ -435,6 +435,7 @@ public:
   int& material() { return material_; }
   const int& material() const { return material_; }
   int& material_last() { return material_last_; }
+  const int& material_last() const { return material_last_; }
 
   BoundaryInfo& boundary() { return boundary_; }
 
diff --git a/include/openmc/tallies/filter.h b/include/openmc/tallies/filter.h
index 8a17ee7ea..dc5872ce6 100644
--- a/include/openmc/tallies/filter.h
+++ b/include/openmc/tallies/filter.h
@@ -31,6 +31,7 @@ enum class FilterType {
   ENERGY_OUT,
   LEGENDRE,
   MATERIAL,
+  MATERIALFROM,
   MESH,
   MESH_SURFACE,
   MU,
diff --git a/include/openmc/tallies/filter_material.h b/include/openmc/tallies/filter_material.h
index 5da556d5e..aa5df5b3a 100644
--- a/include/openmc/tallies/filter_material.h
+++ b/include/openmc/tallies/filter_material.h
@@ -46,7 +46,7 @@ public:
 
   void set_materials(gsl::span<const int32_t> materials);
 
-private:
+protected:
   //----------------------------------------------------------------------------
   // Data members
 
diff --git a/include/openmc/tallies/filter_materialfrom.h b/include/openmc/tallies/filter_materialfrom.h
new file mode 100644
index 000000000..52039852a
--- /dev/null
+++ b/include/openmc/tallies/filter_materialfrom.h
@@ -0,0 +1,29 @@
+#ifndef OPENMC_TALLIES_FILTER_MATERIALFROM_H
+#define OPENMC_TALLIES_FILTER_MATERIALFROM_H
+
+#include <string>
+
+#include "openmc/tallies/filter_material.h"
+
+namespace openmc {
+
+//==============================================================================
+//! Specifies which material particles exit when crossing a surface.
+//==============================================================================
+
+class MaterialFromFilter : public MaterialFilter {
+public:
+  //----------------------------------------------------------------------------
+  // Methods
+
+  std::string type_str() const override { return "materialfrom"; }
+  FilterType type() const override { return FilterType::MATERIALFROM; }
+
+  void get_all_bins(const Particle& p, TallyEstimator estimator,
+    FilterMatch& match) const override;
+
+  std::string text_label(int bin) const override;
+};
+
+} // namespace openmc
+#endif // OPENMC_TALLIES_FILTER_MATERIALFROM_H
diff --git a/openmc/filter.py b/openmc/filter.py
index c9457ceeb..8eb81432f 100644
--- a/openmc/filter.py
+++ b/openmc/filter.py
@@ -22,7 +22,7 @@ from ._xml import get_text
 _FILTER_TYPES = (
     'universe', 'material', 'cell', 'cellborn', 'surface', 'mesh', 'energy',
     'energyout', 'mu', 'polar', 'azimuthal', 'distribcell', 'delayedgroup',
-    'energyfunction', 'cellfrom', 'legendre', 'spatiallegendre',
+    'energyfunction', 'cellfrom', 'materialfrom', 'legendre', 'spatiallegendre',
     'sphericalharmonics', 'zernike', 'zernikeradial', 'particle', 'cellinstance',
     'collision', 'time'
 )
@@ -451,7 +451,7 @@ class UniverseFilter(WithIDFilter):
     Parameters
     ----------
     bins : openmc.UniverseBase, int, or iterable thereof
-        The Universes to tally. Either openmc.UniverseBase objects or their
+        The Universes to tally. Either :class:`openmc.UniverseBase` objects or their
         Integral ID numbers can be used.
     filter_id : int
         Unique identifier for the filter
@@ -475,7 +475,31 @@ class MaterialFilter(WithIDFilter):
     Parameters
     ----------
     bins : openmc.Material, Integral, or iterable thereof
-        The Materials to tally. Either openmc.Material objects or their
+        The material(s) to tally. Either :class:`openmc.Material` objects or their
+        Integral ID numbers can be used.
+    filter_id : int
+        Unique identifier for the filter
+
+    Attributes
+    ----------
+    bins : Iterable of Integral
+        openmc.Material IDs.
+    id : int
+        Unique identifier for the filter
+    num_bins : Integral
+        The number of filter bins
+
+    """
+    expected_type = Material
+
+
+class MaterialFromFilter(WithIDFilter):
+    """Bins tally event locations based on the Material they occurred in.
+
+    Parameters
+    ----------
+    bins : openmc.Material, Integral, or iterable thereof
+        The material(s) to tally. Either :class:`openmc.Material` objects or their
         Integral ID numbers can be used.
     filter_id : int
         Unique identifier for the filter
@@ -499,7 +523,7 @@ class CellFilter(WithIDFilter):
     Parameters
     ----------
     bins : openmc.Cell, int, or iterable thereof
-        The cells to tally. Either openmc.Cell objects or their ID numbers can
+        The cells to tally. Either :class:`openmc.Cell` objects or their ID numbers can
         be used.
     filter_id : int
         Unique identifier for the filter
diff --git a/openmc/lib/filter.py b/openmc/lib/filter.py
index 8b175dd02..7c2e7e5c4 100644
--- a/openmc/lib/filter.py
+++ b/openmc/lib/filter.py
@@ -20,7 +20,7 @@ __all__ = [
     'Filter', 'AzimuthalFilter', 'CellFilter', 'CellbornFilter', 'CellfromFilter',
     'CellInstanceFilter', 'CollisionFilter', 'DistribcellFilter', 'DelayedGroupFilter',
     'EnergyFilter', 'EnergyoutFilter', 'EnergyFunctionFilter', 'LegendreFilter',
-    'MaterialFilter', 'MeshFilter', 'MeshSurfaceFilter', 'MuFilter', 'ParticleFilter',
+    'MaterialFilter', 'MaterialFromFilter', 'MeshFilter', 'MeshSurfaceFilter', 'MuFilter', 'ParticleFilter',
     'PolarFilter', 'SphericalHarmonicsFilter', 'SpatialLegendreFilter', 'SurfaceFilter',
     'UniverseFilter', 'ZernikeFilter', 'ZernikeRadialFilter', 'filters'
 ]
@@ -342,6 +342,10 @@ class MaterialFilter(Filter):
         _dll.openmc_material_filter_set_bins(self._index, n, bins)
 
 
+class MaterialFromFilter(Filter):
+    filter_type = 'materialfrom'
+
+
 class MeshFilter(Filter):
     filter_type = 'mesh'
 
@@ -501,6 +505,7 @@ _FILTER_TYPE_MAP = {
     'energyfunction': EnergyFunctionFilter,
     'legendre': LegendreFilter,
     'material': MaterialFilter,
+    'materialfrom': MaterialFromFilter,
     'mesh': MeshFilter,
     'meshsurface': MeshSurfaceFilter,
     'mu': MuFilter,
diff --git a/src/tallies/filter.cpp b/src/tallies/filter.cpp
index d8efd590f..5fae4cf60 100644
--- a/src/tallies/filter.cpp
+++ b/src/tallies/filter.cpp
@@ -21,6 +21,7 @@
 #include "openmc/tallies/filter_energyfunc.h"
 #include "openmc/tallies/filter_legendre.h"
 #include "openmc/tallies/filter_material.h"
+#include "openmc/tallies/filter_materialfrom.h"
 #include "openmc/tallies/filter_mesh.h"
 #include "openmc/tallies/filter_meshsurface.h"
 #include "openmc/tallies/filter_mu.h"
@@ -121,6 +122,8 @@ Filter* Filter::create(const std::string& type, int32_t id)
     return Filter::create<LegendreFilter>(id);
   } else if (type == "material") {
     return Filter::create<MaterialFilter>(id);
+  } else if (type == "materialfrom") {
+    return Filter::create<MaterialFromFilter>(id);
   } else if (type == "mesh") {
     return Filter::create<MeshFilter>(id);
   } else if (type == "meshsurface") {
diff --git a/src/tallies/filter_materialfrom.cpp b/src/tallies/filter_materialfrom.cpp
new file mode 100644
index 000000000..91f03aef8
--- /dev/null
+++ b/src/tallies/filter_materialfrom.cpp
@@ -0,0 +1,24 @@
+#include "openmc/tallies/filter_materialfrom.h"
+
+#include "openmc/cell.h"
+#include "openmc/material.h"
+
+namespace openmc {
+
+void MaterialFromFilter::get_all_bins(
+  const Particle& p, TallyEstimator estimator, FilterMatch& match) const
+{
+  auto search = map_.find(p.material_last());
+  if (search != map_.end()) {
+    match.bins_.push_back(search->second);
+    match.weights_.push_back(1.0);
+  }
+}
+
+std::string MaterialFromFilter::text_label(int bin) const
+{
+  return "Material from " +
+         std::to_string(model::materials[materials_[bin]]->id_);
+}
+
+} // namespace openmc
diff --git a/tests/regression_tests/surface_tally/inputs_true.dat b/tests/regression_tests/surface_tally/inputs_true.dat
index dc65e2a15..abd01266d 100644
--- a/tests/regression_tests/surface_tally/inputs_true.dat
+++ b/tests/regression_tests/surface_tally/inputs_true.dat
@@ -54,7 +54,7 @@
     <filter id="4" type="surface">
       <bins>1</bins>
     </filter>
-    <filter id="7" type="cellfrom">
+    <filter id="7" type="materialfrom">
       <bins>2</bins>
     </filter>
     <filter id="8" type="cell">
diff --git a/tests/regression_tests/surface_tally/test.py b/tests/regression_tests/surface_tally/test.py
index 1224ebbb9..8968db9b6 100644
--- a/tests/regression_tests/surface_tally/test.py
+++ b/tests/regression_tests/surface_tally/test.py
@@ -106,19 +106,19 @@ class SurfaceTallyTestHarness(PyAPITestHarness):
 
         # Create partial current tallies from water to fuel
         # Filters
-        cell_from_filter = openmc.CellFromFilter(water)
+        mat_from_filter = openmc.MaterialFromFilter(borated_water)
         cell_filter = openmc.CellFilter(fuel)
 
         # Cell to cell filters for partial current
         cell_to_cell_tally = openmc.Tally(name=str('water_to_fuel_1'))
-        cell_to_cell_tally.filters = [cell_from_filter, cell_filter, \
+        cell_to_cell_tally.filters = [mat_from_filter, cell_filter, \
              energy_filter, polar_filter, azimuthal_filter]
         cell_to_cell_tally.scores = ['current']
         tallies_file.append(cell_to_cell_tally)
 
         # Cell from + surface filters for partial current
         cell_to_cell_tally = openmc.Tally(name=str('water_to_fuel_2'))
-        cell_to_cell_tally.filters = [cell_from_filter, surface_filter, \
+        cell_to_cell_tally.filters = [mat_from_filter, surface_filter, \
              energy_filter, polar_filter, azimuthal_filter]
         cell_to_cell_tally.scores = ['current']
         tallies_file.append(cell_to_cell_tally)

From 24e1c951614d71fb7014a914615e55a697eef04c Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Wed, 15 Nov 2023 03:49:53 -0600
Subject: [PATCH 1986/2654] Fix lagrangian interpolation (#2775)

---
 include/openmc/interpolate.h              |  5 ++-
 tests/cpp_unit_tests/CMakeLists.txt       |  1 +
 tests/cpp_unit_tests/test_interpolate.cpp | 51 +++++++++++++++++++++++
 3 files changed, 56 insertions(+), 1 deletion(-)
 create mode 100644 tests/cpp_unit_tests/test_interpolate.cpp

diff --git a/include/openmc/interpolate.h b/include/openmc/interpolate.h
index 05353f130..e36fbb1d6 100644
--- a/include/openmc/interpolate.h
+++ b/include/openmc/interpolate.h
@@ -4,6 +4,9 @@
 #include <cmath>
 #include <vector>
 
+#include <gsl/gsl-lite.hpp>
+
+#include "openmc/error.h"
 #include "openmc/search.h"
 
 namespace openmc {
@@ -47,7 +50,7 @@ inline double interpolate_lagrangian(gsl::span<const double> xs,
       numerator *= (x - xs[idx + j]);
       denominator *= (xs[idx + i] - xs[idx + j]);
     }
-    output += (numerator / denominator) * ys[i];
+    output += (numerator / denominator) * ys[idx + i];
   }
 
   return output;
diff --git a/tests/cpp_unit_tests/CMakeLists.txt b/tests/cpp_unit_tests/CMakeLists.txt
index 50ae9a208..24ec1b7a9 100644
--- a/tests/cpp_unit_tests/CMakeLists.txt
+++ b/tests/cpp_unit_tests/CMakeLists.txt
@@ -2,6 +2,7 @@ set(TEST_NAMES
   test_distribution
   test_file_utils
   test_tally
+  test_interpolate
   # Add additional unit test files here
 )
 
diff --git a/tests/cpp_unit_tests/test_interpolate.cpp b/tests/cpp_unit_tests/test_interpolate.cpp
new file mode 100644
index 000000000..4f19f2b63
--- /dev/null
+++ b/tests/cpp_unit_tests/test_interpolate.cpp
@@ -0,0 +1,51 @@
+#include <iostream>
+#include <map>
+
+#include <catch2/catch_test_macros.hpp>
+#include <catch2/matchers/catch_matchers_floating_point.hpp>
+
+#include "openmc/interpolate.h"
+#include "openmc/search.h"
+
+using namespace openmc;
+
+TEST_CASE("Test Lagranian Interpolation")
+{
+  std::vector<double> xs {0.0, 1.0, 2.0, 3.0, 4.0, 5.0, 6.0};
+  std::vector<double> ys {0.0, 1.0, 1.0, 2.0, 3.0, 3.0, 5.0};
+
+  // ensure we get data points back at the x values
+  for (int n = 1; n <= 6; n++) {
+    for (int i = 0; i < xs.size(); i++) {
+      double x = xs[i];
+      double y = ys[i];
+
+      size_t idx = lower_bound_index(xs.begin(), xs.end(), x);
+      idx = std::min(idx, xs.size() - n - 1);
+      double out = interpolate_lagrangian(xs, ys, idx, x, n);
+      REQUIRE(out == y);
+    }
+  }
+
+  // spot checks based on an independent implementation of Lagrangian
+  // interpolation
+  std::map<int, std::vector<std::pair<double, double>>> checks;
+  checks[1] = {{0.5, 0.5}, {4.5, 3.0}, {2.5, 1.5}, {5.5, 4.0}};
+  checks[2] = {{2.5, 1.5}, {4.5, 2.75}, {4.9999, 3.0}, {4.00001, 3.0}};
+  checks[3] = {{2.5592, 1.5}, {4.5, 2.9375}, {4.9999, 3.0}, {4.00001, 3.0}};
+
+  for (auto check_set : checks) {
+    int order = check_set.first;
+    auto checks = check_set.second;
+
+    for (auto check : checks) {
+      double input = check.first;
+      double exp_output = check.second;
+
+      size_t idx = lower_bound_index(xs.begin(), xs.end(), input);
+      idx = std::min(idx, xs.size() - order - 1);
+      double out = interpolate_lagrangian(xs, ys, idx, input, order);
+      REQUIRE_THAT(out, Catch::Matchers::WithinAbs(exp_output, 1e-04));
+    }
+  }
+}
\ No newline at end of file

From 9830efaf2aadf68ffde9a054388bacef20ab5645 Mon Sep 17 00:00:00 2001
From: Ethan Peterson <ethan.peterson@mit.edu>
Date: Tue, 21 Nov 2023 17:22:42 -0500
Subject: [PATCH 1987/2654] change identity matrix format to csr in cram
 (#2771)

---
 openmc/deplete/cram.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/deplete/cram.py b/openmc/deplete/cram.py
index f5f80dfdc..8e7bb819d 100644
--- a/openmc/deplete/cram.py
+++ b/openmc/deplete/cram.py
@@ -77,7 +77,7 @@ class IPFCramSolver(DepSystemSolver):
         """
         A = sp.csr_matrix(A * dt, dtype=np.float64)
         y = n0.copy()
-        ident = sp.eye(A.shape[0])
+        ident = sp.eye(A.shape[0], format='csr')
         for alpha, theta in zip(self.alpha, self.theta):
             y += 2*np.real(alpha*sla.spsolve(A - theta*ident, y))
         return y * self.alpha0

From cad9fdc338181798abdd6d8f3d4fcee4d20e73ee Mon Sep 17 00:00:00 2001
From: Ethan Peterson <ethan.peterson@mit.edu>
Date: Mon, 27 Nov 2023 14:16:34 -0500
Subject: [PATCH 1988/2654] Modifications to deplete_with_transfer_rates
 regression test suite (#2779)

---
 .../ref_depletion_with_feed.h5                | Bin 37328 -> 37328 bytes
 .../ref_depletion_with_removal.h5             | Bin 37328 -> 37328 bytes
 .../ref_depletion_with_transfer.h5            | Bin 37328 -> 37328 bytes
 .../ref_no_depletion_only_feed.h5             | Bin 37328 -> 37328 bytes
 .../ref_no_depletion_only_removal.h5          | Bin 37328 -> 37328 bytes
 .../ref_no_depletion_with_transfer.h5         | Bin 37328 -> 37328 bytes
 .../deplete_with_transfer_rates/test.py       |   7 ++++---
 7 files changed, 4 insertions(+), 3 deletions(-)

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lcmcbxnCZe|rVVfUnGd|kot)?@Kk<UlW`zlB7+HXPdjRXK4q*TQ

diff --git a/tests/regression_tests/deplete_with_transfer_rates/test.py b/tests/regression_tests/deplete_with_transfer_rates/test.py
index 4084a47fe..669fd4bea 100644
--- a/tests/regression_tests/deplete_with_transfer_rates/test.py
+++ b/tests/regression_tests/deplete_with_transfer_rates/test.py
@@ -40,9 +40,9 @@ def model():
     geometry = openmc.Geometry([cell_f, cell_w])
 
     settings = openmc.Settings()
-    settings.particles = 500
+    settings.particles = 100
     settings.inactive = 0
-    settings.batches = 2
+    settings.batches = 10
 
     return openmc.Model(geometry, materials, settings)
 
@@ -63,6 +63,7 @@ def test_transfer_rates(run_in_tmpdir, model, rate, dest_mat, power, ref_result)
     transfer_elements = ['Xe']
 
     op = CoupledOperator(model, chain_file)
+    op.round_number = True
     integrator = openmc.deplete.PredictorIntegrator(
         op, [1], power, timestep_units = 'd')
     integrator.add_transfer_rate('f', transfer_elements, rate,
@@ -82,5 +83,5 @@ def test_transfer_rates(run_in_tmpdir, model, rate, dest_mat, power, ref_result)
     res_ref = openmc.deplete.Results(path_reference)
     res_test = openmc.deplete.Results(path_test)
 
-    assert_atoms_equal(res_ref, res_test, 1e-4)
+    assert_atoms_equal(res_ref, res_test, 1e-6)
     assert_reaction_rates_equal(res_ref, res_test)

From b66c6d47f2d83a610901c03f8f919635da0dc9b3 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 28 Nov 2023 02:32:25 -0600
Subject: [PATCH 1989/2654] In volume calculation mode, only load atomic weight
 ratio from data files (#2741)

---
 src/nuclide.cpp | 4 ++++
 1 file changed, 4 insertions(+)

diff --git a/src/nuclide.cpp b/src/nuclide.cpp
index d28630252..14d21bb09 100644
--- a/src/nuclide.cpp
+++ b/src/nuclide.cpp
@@ -62,6 +62,10 @@ Nuclide::Nuclide(hid_t group, const vector<double>& temperature)
   read_attribute(group, "metastable", metastable_);
   read_attribute(group, "atomic_weight_ratio", awr_);
 
+  if (settings::run_mode == RunMode::VOLUME) {
+    return;
+  }
+
   // Determine temperatures available
   hid_t kT_group = open_group(group, "kTs");
   auto dset_names = dataset_names(kT_group);

From 8b2698f5c0fda21a5ff467dada3e5e9ca1a8f6e7 Mon Sep 17 00:00:00 2001
From: Ethan Peterson <ethan.peterson@mit.edu>
Date: Tue, 28 Nov 2023 08:34:02 -0500
Subject: [PATCH 1990/2654] Change matrix format to CSC in depletion (#2764)

---
 openmc/deplete/abc.py   |  6 +++---
 openmc/deplete/chain.py | 10 +++++-----
 openmc/deplete/cram.py  |  4 ++--
 3 files changed, 10 insertions(+), 10 deletions(-)

diff --git a/openmc/deplete/abc.py b/openmc/deplete/abc.py
index d135b2dae..5d906efd8 100644
--- a/openmc/deplete/abc.py
+++ b/openmc/deplete/abc.py
@@ -543,7 +543,7 @@ class Integrator(ABC):
         User-supplied functions are expected to have the following signature:
         ``solver(A, n0, t) -> n1`` where
 
-            * ``A`` is a :class:`scipy.sparse.csr_matrix` making up the
+            * ``A`` is a :class:`scipy.sparse.csc_matrix` making up the
               depletion matrix
             * ``n0`` is a 1-D :class:`numpy.ndarray` of initial compositions
               for a given material in atoms/cm3
@@ -921,7 +921,7 @@ class SIIntegrator(Integrator):
         User-supplied functions are expected to have the following signature:
         ``solver(A, n0, t) -> n1`` where
 
-            * ``A`` is a :class:`scipy.sparse.csr_matrix` making up the
+            * ``A`` is a :class:`scipy.sparse.csc_matrix` making up the
               depletion matrix
             * ``n0`` is a 1-D :class:`numpy.ndarray` of initial compositions
               for a given material in atoms/cm3
@@ -1023,7 +1023,7 @@ class DepSystemSolver(ABC):
 
         Parameters
         ----------
-        A : scipy.sparse.csr_matrix
+        A : scipy.sparse.csc_matrix
             Sparse transmutation matrix ``A[j, i]`` describing rates at
             which isotope ``i`` transmutes to isotope ``j``
         n0 : numpy.ndarray
diff --git a/openmc/deplete/chain.py b/openmc/deplete/chain.py
index dc01a1b34..e06cb5725 100644
--- a/openmc/deplete/chain.py
+++ b/openmc/deplete/chain.py
@@ -596,7 +596,7 @@ class Chain:
 
         Returns
         -------
-        scipy.sparse.csr_matrix
+        scipy.sparse.csc_matrix
             Sparse matrix representing depletion.
 
         See Also
@@ -680,11 +680,11 @@ class Chain:
                 # Clear set of reactions
                 reactions.clear()
 
-        # Use DOK matrix as intermediate representation, then convert to CSR and return
+        # Use DOK matrix as intermediate representation, then convert to CSC and return
         n = len(self)
         matrix_dok = sp.dok_matrix((n, n))
         dict.update(matrix_dok, matrix)
-        return matrix_dok.tocsr()
+        return matrix_dok.tocsc()
 
     def form_rr_term(self, tr_rates, mats):
         """Function to form the transfer rate term matrices.
@@ -713,7 +713,7 @@ class Chain:
 
         Returns
         -------
-        scipy.sparse.csr_matrix
+        scipy.sparse.csc_matrix
             Sparse matrix representing transfer term.
 
         """
@@ -746,7 +746,7 @@ class Chain:
         n = len(self)
         matrix_dok = sp.dok_matrix((n, n))
         dict.update(matrix_dok, matrix)
-        return matrix_dok.tocsr()
+        return matrix_dok.tocsc()
 
     def get_branch_ratios(self, reaction="(n,gamma)"):
         """Return a dictionary with reaction branching ratios
diff --git a/openmc/deplete/cram.py b/openmc/deplete/cram.py
index 8e7bb819d..53de83bb6 100644
--- a/openmc/deplete/cram.py
+++ b/openmc/deplete/cram.py
@@ -75,9 +75,9 @@ class IPFCramSolver(DepSystemSolver):
             Final compositions after ``dt``
 
         """
-        A = sp.csr_matrix(A * dt, dtype=np.float64)
+        A = dt * sp.csc_matrix(A, dtype=np.float64)
         y = n0.copy()
-        ident = sp.eye(A.shape[0], format='csr')
+        ident = sp.eye(A.shape[0], format='csc')
         for alpha, theta in zip(self.alpha, self.theta):
             y += 2*np.real(alpha*sla.spsolve(A - theta*ident, y))
         return y * self.alpha0

From e8faccdc93bee95360662b7bc36f7e79a03eb089 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Tue, 28 Nov 2023 13:56:21 -0600
Subject: [PATCH 1991/2654] Call simulation_finalize if needed when finalizing
 OpenMC (#2790)

---
 src/finalize.cpp | 3 +++
 1 file changed, 3 insertions(+)

diff --git a/src/finalize.cpp b/src/finalize.cpp
index b5b23b9d5..ea0470f9b 100644
--- a/src/finalize.cpp
+++ b/src/finalize.cpp
@@ -63,6 +63,9 @@ using namespace openmc;
 
 int openmc_finalize()
 {
+  if (simulation::initialized)
+    openmc_simulation_finalize();
+
   // Clear results
   openmc_reset();
 

From 1d4cd9b0aa290ef624d1689f47f2710d15e68dcc Mon Sep 17 00:00:00 2001
From: John Tramm <john.tramm@gmail.com>
Date: Tue, 28 Nov 2023 15:20:54 -0600
Subject: [PATCH 1992/2654] F90_NONE Removal (MGMC tallying optimization)
 (#2785)

---
 include/openmc/constants.h     | 1 -
 include/openmc/particle_data.h | 8 ++++----
 src/tallies/filter_energy.cpp  | 4 ++--
 3 files changed, 6 insertions(+), 7 deletions(-)

diff --git a/include/openmc/constants.h b/include/openmc/constants.h
index 2b9eaca29..ba558b040 100644
--- a/include/openmc/constants.h
+++ b/include/openmc/constants.h
@@ -317,7 +317,6 @@ enum class GlobalTally { K_COLLISION, K_ABSORPTION, K_TRACKLENGTH, LEAKAGE };
 
 // Miscellaneous
 constexpr int C_NONE {-1};
-constexpr int F90_NONE {0}; // TODO: replace usage of this with C_NONE
 
 // Interpolation rules
 enum class Interpolation {
diff --git a/include/openmc/particle_data.h b/include/openmc/particle_data.h
index ee34c3052..37eb05bdb 100644
--- a/include/openmc/particle_data.h
+++ b/include/openmc/particle_data.h
@@ -257,10 +257,10 @@ private:
   vector<int> cell_last_; //!< coordinates for all levels
 
   // Energy data
-  double E_;      //!< post-collision energy in eV
-  double E_last_; //!< pre-collision energy in eV
-  int g_ {0};     //!< post-collision energy group (MG only)
-  int g_last_;    //!< pre-collision energy group (MG only)
+  double E_;       //!< post-collision energy in eV
+  double E_last_;  //!< pre-collision energy in eV
+  int g_ {C_NONE}; //!< post-collision energy group (MG only)
+  int g_last_;     //!< pre-collision energy group (MG only)
 
   // Other physical data
   double wgt_ {1.0};       //!< particle weight
diff --git a/src/tallies/filter_energy.cpp b/src/tallies/filter_energy.cpp
index 48448cb1f..825dd2ee5 100644
--- a/src/tallies/filter_energy.cpp
+++ b/src/tallies/filter_energy.cpp
@@ -59,7 +59,7 @@ void EnergyFilter::set_bins(gsl::span<const double> bins)
 void EnergyFilter::get_all_bins(
   const Particle& p, TallyEstimator estimator, FilterMatch& match) const
 {
-  if (p.g() != F90_NONE && matches_transport_groups_) {
+  if (p.g() != C_NONE && matches_transport_groups_) {
     if (estimator == TallyEstimator::TRACKLENGTH) {
       match.bins_.push_back(data::mg.num_energy_groups_ - p.g() - 1);
     } else {
@@ -98,7 +98,7 @@ std::string EnergyFilter::text_label(int bin) const
 void EnergyoutFilter::get_all_bins(
   const Particle& p, TallyEstimator estimator, FilterMatch& match) const
 {
-  if (p.g() != F90_NONE && matches_transport_groups_) {
+  if (p.g() != C_NONE && matches_transport_groups_) {
     match.bins_.push_back(data::mg.num_energy_groups_ - p.g() - 1);
     match.weights_.push_back(1.0);
 

From 87e00f76ed6fd30b0dc10e8c86daba1f4ff7dff5 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 29 Nov 2023 05:20:01 -0600
Subject: [PATCH 1993/2654] Add inline to openmc::interpolate (#2789)

---
 include/openmc/interpolate.h | 7 ++++---
 1 file changed, 4 insertions(+), 3 deletions(-)

diff --git a/include/openmc/interpolate.h b/include/openmc/interpolate.h
index e36fbb1d6..db501f71b 100644
--- a/include/openmc/interpolate.h
+++ b/include/openmc/interpolate.h
@@ -56,8 +56,9 @@ inline double interpolate_lagrangian(gsl::span<const double> xs,
   return output;
 }
 
-double interpolate(gsl::span<const double> xs, gsl::span<const double> ys,
-  double x, Interpolation i = Interpolation::lin_lin)
+inline double interpolate(gsl::span<const double> xs,
+  gsl::span<const double> ys, double x,
+  Interpolation i = Interpolation::lin_lin)
 {
   int idx = lower_bound_index(xs.begin(), xs.end(), x);
 
@@ -95,4 +96,4 @@ double interpolate(gsl::span<const double> xs, gsl::span<const double> ys,
 
 } // namespace openmc
 
-#endif
\ No newline at end of file
+#endif

From 47c37f506daad78b596536ae37aa0d61e2efab33 Mon Sep 17 00:00:00 2001
From: nplinden <57541749+nplinden@users.noreply.github.com>
Date: Wed, 29 Nov 2023 12:44:14 +0100
Subject: [PATCH 1994/2654] Correctly apply volumes to materials when using
 DAGMC geometries (#2787)

Co-authored-by: Nicolas Linden <n.linden@naarea.fr>
---
 openmc/model/model.py | 7 ++++++-
 openmc/summary.py     | 7 ++++++-
 2 files changed, 12 insertions(+), 2 deletions(-)

diff --git a/openmc/model/model.py b/openmc/model/model.py
index a40a79bc9..9da834e13 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -787,7 +787,12 @@ class Model:
                 for i, vol_calc in enumerate(self.settings.volume_calculations):
                     vol_calc.load_results(f"volume_{i + 1}.h5")
                     # First add them to the Python side
-                    self.geometry.add_volume_information(vol_calc)
+                    if vol_calc.domain_type == "material" and self.materials:
+                        for material in self.materials:
+                            if material.id in vol_calc.volumes:
+                                material.add_volume_information(vol_calc)
+                    else:
+                        self.geometry.add_volume_information(vol_calc)
 
                     # And now repeat for the C API
                     if self.is_initialized and vol_calc.domain_type == 'material':
diff --git a/openmc/summary.py b/openmc/summary.py
index 43224334d..6423f8ce1 100644
--- a/openmc/summary.py
+++ b/openmc/summary.py
@@ -240,4 +240,9 @@ class Summary:
             Results from a stochastic volume calculation
 
         """
-        self.geometry.add_volume_information(volume_calc)
+        if volume_calc.domain_type == "material" and self.materials:
+            for material in self.materials:
+                if material.id in volume_calc.volumes:
+                    material.add_volume_information(volume_calc)
+        else:
+            self.geometry.add_volume_information(volume_calc)

From e0d03812b90dcc86dd4f2f48b055c25592e9a474 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Sat, 2 Dec 2023 11:35:23 -0600
Subject: [PATCH 1995/2654] Mesh Source Class (#2759)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
Co-authored-by: Jonathan Shimwell <drshimwell@gmail.com>
---
 .github/workflows/format-check.yml    |   9 +-
 docs/source/io_formats/settings.rst   |  13 +-
 docs/source/pythonapi/base.rst        |   1 +
 include/openmc/distribution.h         |   7 +-
 include/openmc/distribution_multi.h   |   2 +
 include/openmc/distribution_spatial.h |  15 ++-
 include/openmc/mesh.h                 |  75 +++++++++---
 include/openmc/source.h               |  42 ++++++-
 openmc/bounding_box.py                |   4 +
 openmc/settings.py                    |  20 ++-
 openmc/source.py                      | 167 ++++++++++++++++++++++++--
 openmc/stats/multivariate.py          |   1 +
 src/distribution.cpp                  |  12 +-
 src/distribution_multi.cpp            |  19 +++
 src/distribution_spatial.cpp          |  88 +++++++++++---
 src/mesh.cpp                          |  78 ++++++++++--
 src/settings.cpp                      |  23 +---
 src/source.cpp                        | 155 ++++++++++++++++--------
 tests/unit_tests/test_source_mesh.py  | 167 +++++++++++++++++++++++++-
 19 files changed, 752 insertions(+), 146 deletions(-)

diff --git a/.github/workflows/format-check.yml b/.github/workflows/format-check.yml
index 4914d5e5e..36ccece3c 100644
--- a/.github/workflows/format-check.yml
+++ b/.github/workflows/format-check.yml
@@ -1,6 +1,13 @@
 name: C++ Format Check
 
-on: pull_request
+on:
+  # allow workflow to be run manually
+  workflow_dispatch:
+
+  pull_request:
+    branches:
+      - develop
+      - master
 
 jobs:
   cpp-linter:
diff --git a/docs/source/io_formats/settings.rst b/docs/source/io_formats/settings.rst
index 03abe9a3c..9b855b250 100644
--- a/docs/source/io_formats/settings.rst
+++ b/docs/source/io_formats/settings.rst
@@ -473,6 +473,8 @@ pseudo-random number generator.
 
   *Default*: 1
 
+.. _source_element:
+
 --------------------
 ``<source>`` Element
 --------------------
@@ -491,7 +493,8 @@ attributes/sub-elements:
     *Default*: 1.0
 
   :type:
-    Indicator of source type. One of ``independent``, ``file``, or ``compiled``.
+    Indicator of source type. One of ``independent``, ``file``, ``compiled``, or ``mesh``.
+    The type of the source will be determined by this attribute if it is present.
 
   :particle:
     The source particle type, either ``neutron`` or ``photon``.
@@ -664,6 +667,14 @@ attributes/sub-elements:
 
     *Default*: false
 
+  :mesh:
+    For mesh sources, this indicates the ID of the corresponding mesh.
+
+  :source:
+    For mesh sources, this sub-element specifies the source for an individual
+    mesh element and follows the format for :ref:`source_element`. The number of
+    ``<source>`` sub-elements should correspond to the number of mesh elements.
+
 .. _univariate:
 
 Univariate Probability Distributions
diff --git a/docs/source/pythonapi/base.rst b/docs/source/pythonapi/base.rst
index ba86db117..705aecee9 100644
--- a/docs/source/pythonapi/base.rst
+++ b/docs/source/pythonapi/base.rst
@@ -25,6 +25,7 @@ Simulation Settings
    openmc.IndependentSource
    openmc.FileSource
    openmc.CompiledSource
+   openmc.MeshSource
    openmc.SourceParticle
    openmc.VolumeCalculation
    openmc.Settings
diff --git a/include/openmc/distribution.h b/include/openmc/distribution.h
index 65c68ad64..e70c803de 100644
--- a/include/openmc/distribution.h
+++ b/include/openmc/distribution.h
@@ -7,6 +7,7 @@
 #include <cstddef> // for size_t
 
 #include "pugixml.hpp"
+#include <gsl/gsl-lite.hpp>
 
 #include "openmc/constants.h"
 #include "openmc/memory.h" // for unique_ptr
@@ -43,9 +44,9 @@ class DiscreteIndex {
 public:
   DiscreteIndex() {};
   DiscreteIndex(pugi::xml_node node);
-  DiscreteIndex(const double* p, int n);
+  DiscreteIndex(gsl::span<const double> p);
 
-  void assign(const double* p, int n);
+  void assign(gsl::span<const double> p);
 
   //! Sample a value from the distribution
   //! \param seed Pseudorandom number seed pointer
@@ -77,7 +78,7 @@ private:
 class Discrete : public Distribution {
 public:
   explicit Discrete(pugi::xml_node node);
-  Discrete(const double* x, const double* p, int n);
+  Discrete(const double* x, const double* p, size_t n);
 
   //! Sample a value from the distribution
   //! \param seed Pseudorandom number seed pointer
diff --git a/include/openmc/distribution_multi.h b/include/openmc/distribution_multi.h
index e171d58ab..9e84d03d5 100644
--- a/include/openmc/distribution_multi.h
+++ b/include/openmc/distribution_multi.h
@@ -22,6 +22,8 @@ public:
   explicit UnitSphereDistribution(pugi::xml_node node);
   virtual ~UnitSphereDistribution() = default;
 
+  static unique_ptr<UnitSphereDistribution> create(pugi::xml_node node);
+
   //! Sample a direction from the distribution
   //! \param seed Pseudorandom number seed pointer
   //! \return Direction sampled
diff --git a/include/openmc/distribution_spatial.h b/include/openmc/distribution_spatial.h
index 9fba95060..bd10a2996 100644
--- a/include/openmc/distribution_spatial.h
+++ b/include/openmc/distribution_spatial.h
@@ -19,6 +19,8 @@ public:
 
   //! Sample a position from the distribution
   virtual Position sample(uint64_t* seed) const = 0;
+
+  static unique_ptr<SpatialDistribution> create(pugi::xml_node node);
 };
 
 //==============================================================================
@@ -102,16 +104,27 @@ private:
 class MeshSpatial : public SpatialDistribution {
 public:
   explicit MeshSpatial(pugi::xml_node node);
+  explicit MeshSpatial(int32_t mesh_id, gsl::span<const double> strengths);
 
   //! Sample a position from the distribution
   //! \param seed Pseudorandom number seed pointer
   //! \return Sampled position
   Position sample(uint64_t* seed) const override;
 
-  const Mesh* mesh() const { return model::meshes.at(mesh_idx_).get(); }
+  //! Sample the mesh for an element and position within that element
+  //! \param seed Pseudorandom number seed pointer
+  //! \return Sampled element index and position within that element
+  std::pair<int32_t, Position> sample_mesh(uint64_t* seed) const;
 
+  //! For unstructured meshes, ensure that elements are all linear tetrahedra
+  void check_element_types() const;
+
+  // Accessors
+  const Mesh* mesh() const { return model::meshes.at(mesh_idx_).get(); }
   int32_t n_sources() const { return this->mesh()->n_bins(); }
 
+  double total_strength() { return this->elem_idx_dist_.integral(); }
+
 private:
   int32_t mesh_idx_ {C_NONE};
   DiscreteIndex elem_idx_dist_; //!< Distribution of
diff --git a/include/openmc/mesh.h b/include/openmc/mesh.h
index 47f54c023..de556321f 100644
--- a/include/openmc/mesh.h
+++ b/include/openmc/mesh.h
@@ -10,6 +10,7 @@
 #include "pugixml.hpp"
 #include "xtensor/xtensor.hpp"
 
+#include "openmc/error.h"
 #include "openmc/memory.h" // for unique_ptr
 #include "openmc/particle.h"
 #include "openmc/position.h"
@@ -81,12 +82,12 @@ public:
   //! Return a position in the local coordinates of the mesh
   virtual Position local_coords(const Position& r) const { return r; };
 
-  //! Sample a mesh volume using a certain seed
+  //! Sample a position within a mesh element
   //
-  //! \param[in] seed Seed to use for random sampling
-  //! \param[in] bin Bin value of the tet sampled
-  //! \return sampled position within tet
-  virtual Position sample(uint64_t* seed, int32_t bin) const = 0;
+  //! \param[in] bin Bin value of the mesh element sampled
+  //! \param[inout] seed Seed to use for random sampling
+  //! \return sampled position within mesh element
+  virtual Position sample_element(int32_t bin, uint64_t* seed) const = 0;
 
   //! Determine which bins were crossed by a particle
   //
@@ -183,7 +184,12 @@ public:
     }
   };
 
-  Position sample(uint64_t* seed, int32_t bin) const override;
+  Position sample_element(int32_t bin, uint64_t* seed) const override
+  {
+    return sample_element(get_indices_from_bin(bin), seed);
+  };
+
+  virtual Position sample_element(const MeshIndex& ijk, uint64_t* seed) const;
 
   int get_bin(Position r) const override;
 
@@ -240,6 +246,30 @@ public:
   //! \param[in] i Direction index
   virtual int get_index_in_direction(double r, int i) const = 0;
 
+  //! Get the coordinate for the mesh grid boundary in the positive direction
+  //!
+  //! \param[in] ijk Array of mesh indices
+  //! \param[in] i Direction index
+  virtual double positive_grid_boundary(const MeshIndex& ijk, int i) const
+  {
+    auto msg =
+      fmt::format("Attempting to call positive_grid_boundary on a {} mesh.",
+        get_mesh_type());
+    fatal_error(msg);
+  };
+
+  //! Get the coordinate for the mesh grid boundary in the negative direction
+  //!
+  //! \param[in] ijk Array of mesh indices
+  //! \param[in] i Direction index
+  virtual double negative_grid_boundary(const MeshIndex& ijk, int i) const
+  {
+    auto msg =
+      fmt::format("Attempting to call negative_grid_boundary on a {} mesh.",
+        get_mesh_type());
+    fatal_error(msg);
+  };
+
   //! Get the closest distance from the coordinate r to the grid surface
   //! in i direction  that bounds mesh cell ijk and that is larger than l
   //! The coordinate r does not have to be inside the mesh cell ijk. In
@@ -322,18 +352,17 @@ public:
 
   void to_hdf5(hid_t group) const override;
 
-  // New methods
   //! Get the coordinate for the mesh grid boundary in the positive direction
   //!
   //! \param[in] ijk Array of mesh indices
   //! \param[in] i Direction index
-  double positive_grid_boundary(const MeshIndex& ijk, int i) const;
+  double positive_grid_boundary(const MeshIndex& ijk, int i) const override;
 
   //! Get the coordinate for the mesh grid boundary in the negative direction
   //!
   //! \param[in] ijk Array of mesh indices
   //! \param[in] i Direction index
-  double negative_grid_boundary(const MeshIndex& ijk, int i) const;
+  double negative_grid_boundary(const MeshIndex& ijk, int i) const override;
 
   //! Count number of bank sites in each mesh bin / energy bin
   //
@@ -373,18 +402,17 @@ public:
 
   void to_hdf5(hid_t group) const override;
 
-  // New methods
   //! Get the coordinate for the mesh grid boundary in the positive direction
   //!
   //! \param[in] ijk Array of mesh indices
   //! \param[in] i Direction index
-  double positive_grid_boundary(const MeshIndex& ijk, int i) const;
+  double positive_grid_boundary(const MeshIndex& ijk, int i) const override;
 
   //! Get the coordinate for the mesh grid boundary in the negative direction
   //!
   //! \param[in] ijk Array of mesh indices
   //! \param[in] i Direction index
-  double negative_grid_boundary(const MeshIndex& ijk, int i) const;
+  double negative_grid_boundary(const MeshIndex& ijk, int i) const override;
 
   //! Return the volume for a given mesh index
   double volume(const MeshIndex& ijk) const override;
@@ -410,6 +438,8 @@ public:
 
   static const std::string mesh_type;
 
+  Position sample_element(const MeshIndex& ijk, uint64_t* seed) const override;
+
   MeshDistance distance_to_grid_boundary(const MeshIndex& ijk, int i,
     const Position& r0, const Direction& u, double l) const override;
 
@@ -420,10 +450,16 @@ public:
 
   double volume(const MeshIndex& ijk) const override;
 
-  array<vector<double>, 3> grid_;
+  // grid accessors
+  double r(int i) const { return grid_[0][i]; }
+  double phi(int i) const { return grid_[1][i]; }
+  double z(int i) const { return grid_[2][i]; }
 
   int set_grid();
 
+  // Data members
+  array<vector<double>, 3> grid_;
+
 private:
   double find_r_crossing(
     const Position& r, const Direction& u, double l, int shell) const;
@@ -466,6 +502,8 @@ public:
 
   static const std::string mesh_type;
 
+  Position sample_element(const MeshIndex& ijk, uint64_t* seed) const override;
+
   MeshDistance distance_to_grid_boundary(const MeshIndex& ijk, int i,
     const Position& r0, const Direction& u, double l) const override;
 
@@ -474,10 +512,15 @@ public:
 
   void to_hdf5(hid_t group) const override;
 
-  array<vector<double>, 3> grid_;
+  double r(int i) const { return grid_[0][i]; }
+  double theta(int i) const { return grid_[1][i]; }
+  double phi(int i) const { return grid_[2][i]; }
 
   int set_grid();
 
+  // Data members
+  array<vector<double>, 3> grid_;
+
 private:
   double find_r_crossing(
     const Position& r, const Direction& u, double l, int shell) const;
@@ -621,7 +664,7 @@ public:
 
   // Overridden Methods
 
-  Position sample(uint64_t* seed, int32_t bin) const override;
+  Position sample_element(int32_t bin, uint64_t* seed) const override;
 
   void bins_crossed(Position r0, Position r1, const Direction& u,
     vector<int>& bins, vector<double>& lengths) const override;
@@ -789,7 +832,7 @@ public:
   void bins_crossed(Position r0, Position r1, const Direction& u,
     vector<int>& bins, vector<double>& lengths) const override;
 
-  Position sample(uint64_t* seed, int32_t bin) const override;
+  Position sample_element(int32_t bin, uint64_t* seed) const override;
 
   int get_bin(Position r) const override;
 
diff --git a/include/openmc/source.h b/include/openmc/source.h
index ad2aae562..d5ea9bd1d 100644
--- a/include/openmc/source.h
+++ b/include/openmc/source.h
@@ -50,6 +50,8 @@ public:
 
   // Methods that can be overridden
   virtual double strength() const { return 1.0; }
+
+  static unique_ptr<Source> create(pugi::xml_node node);
 };
 
 //==============================================================================
@@ -101,12 +103,13 @@ private:
 class FileSource : public Source {
 public:
   // Constructors
-  explicit FileSource(std::string path);
-  explicit FileSource(const vector<SourceSite>& sites) : sites_ {sites} {}
+  explicit FileSource(pugi::xml_node node);
+  explicit FileSource(const std::string& path);
 
   // Methods
   SourceSite sample(uint64_t* seed) const override;
-
+  void load_sites_from_file(
+    const std::string& path); //!< Load source sites from file
 private:
   vector<SourceSite> sites_; //!< Source sites from a file
 };
@@ -118,7 +121,7 @@ private:
 class CompiledSourceWrapper : public Source {
 public:
   // Constructors, destructors
-  CompiledSourceWrapper(std::string path, std::string parameters);
+  CompiledSourceWrapper(pugi::xml_node node);
   ~CompiledSourceWrapper();
 
   // Defer implementation to custom source library
@@ -129,6 +132,8 @@ public:
 
   double strength() const override { return compiled_source_->strength(); }
 
+  void setup(const std::string& path, const std::string& parameters);
+
 private:
   void* shared_library_; //!< library from dlopen
   unique_ptr<Source> compiled_source_;
@@ -136,6 +141,35 @@ private:
 
 typedef unique_ptr<Source> create_compiled_source_t(std::string parameters);
 
+//==============================================================================
+//! Mesh-based source with different distributions for each element
+//==============================================================================
+
+class MeshSource : public Source {
+public:
+  // Constructors
+  explicit MeshSource(pugi::xml_node node);
+
+  //! Sample from the external source distribution
+  //! \param[inout] seed Pseudorandom seed pointer
+  //! \return Sampled site
+  SourceSite sample(uint64_t* seed) const override;
+
+  // Properties
+  double strength() const override { return space_->total_strength(); }
+
+  // Accessors
+  const std::unique_ptr<Source>& source(int32_t i) const
+  {
+    return sources_.size() == 1 ? sources_[0] : sources_[i];
+  }
+
+private:
+  // Data members
+  unique_ptr<MeshSpatial> space_;           //!< Mesh spatial
+  vector<std::unique_ptr<Source>> sources_; //!< Source distributions
+};
+
 //==============================================================================
 // Functions
 //==============================================================================
diff --git a/openmc/bounding_box.py b/openmc/bounding_box.py
index b74931d73..e5655cf8c 100644
--- a/openmc/bounding_box.py
+++ b/openmc/bounding_box.py
@@ -95,6 +95,10 @@ class BoundingBox:
         new |= other
         return new
 
+    def __contains__(self, point):
+        """Check whether or not a point is in the bounding box"""
+        return all(point > self.lower_left) and all(point < self.upper_right)
+
     @property
     def center(self) -> np.ndarray:
         return (self[0] + self[1]) / 2
diff --git a/openmc/settings.py b/openmc/settings.py
index d8f74dd11..5d0800ac1 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -12,7 +12,7 @@ import lxml.etree as ET
 import openmc.checkvalue as cv
 from openmc.stats.multivariate import MeshSpatial
 
-from . import (RegularMesh, SourceBase, IndependentSource,
+from . import (RegularMesh, SourceBase, MeshSource, IndependentSource,
                VolumeCalculation, WeightWindows, WeightWindowGenerator)
 from ._xml import clean_indentation, get_text, reorder_attributes
 from openmc.checkvalue import PathLike
@@ -1072,13 +1072,19 @@ class Settings:
             element = ET.SubElement(root, "max_order")
             element.text = str(self._max_order)
 
-    def _create_source_subelement(self, root):
+    def _create_source_subelement(self, root, mesh_memo=None):
         for source in self.source:
             root.append(source.to_xml_element())
             if isinstance(source, IndependentSource) and isinstance(source.space, MeshSpatial):
                 path = f"./mesh[@id='{source.space.mesh.id}']"
                 if root.find(path) is None:
                     root.append(source.space.mesh.to_xml_element())
+            if isinstance(source, MeshSource):
+                path = f"./mesh[@id='{source.mesh.id}']"
+                if root.find(path) is None:
+                    root.append(source.mesh.to_xml_element())
+                    if mesh_memo is not None:
+                        mesh_memo.add(source.mesh.id)
 
     def _create_volume_calcs_subelement(self, root):
         for calc in self.volume_calculations:
@@ -1365,7 +1371,8 @@ class Settings:
             path = f"./mesh[@id='{ww.mesh.id}']"
             if root.find(path) is None:
                 root.append(ww.mesh.to_xml_element())
-                if mesh_memo is not None: mesh_memo.add(ww.mesh.id)
+                if mesh_memo is not None:
+                    mesh_memo.add(ww.mesh.id)
 
         if self._weight_windows_on is not None:
             elem = ET.SubElement(root, "weight_windows_on")
@@ -1787,7 +1794,7 @@ class Settings:
         self._create_max_write_lost_particles_subelement(element)
         self._create_generations_per_batch_subelement(element)
         self._create_keff_trigger_subelement(element)
-        self._create_source_subelement(element)
+        self._create_source_subelement(element, mesh_memo)
         self._create_output_subelement(element)
         self._create_statepoint_subelement(element)
         self._create_sourcepoint_subelement(element)
@@ -1874,6 +1881,11 @@ class Settings:
             Settings object
 
         """
+        # read all meshes under the settings node and update
+        settings_meshes = _read_meshes(elem)
+        meshes = {} if meshes is None else meshes
+        meshes.update(settings_meshes)
+
         settings = cls()
         settings._eigenvalue_from_xml_element(elem)
         settings._run_mode_from_xml_element(elem)
diff --git a/openmc/source.py b/openmc/source.py
index 98b7673b1..c339d6ed8 100644
--- a/openmc/source.py
+++ b/openmc/source.py
@@ -18,7 +18,7 @@ from openmc.checkvalue import PathLike
 from openmc.stats.multivariate import UnitSphere, Spatial
 from openmc.stats.univariate import Univariate
 from ._xml import get_text
-from .mesh import MeshBase
+from .mesh import MeshBase, StructuredMesh, UnstructuredMesh
 
 
 class SourceBase(ABC):
@@ -31,7 +31,7 @@ class SourceBase(ABC):
 
     Attributes
     ----------
-    type : {'independent', 'file', 'compiled'}
+    type : {'independent', 'file', 'compiled', 'mesh'}
         Indicator of source type.
     strength : float
         Strength of the source
@@ -61,7 +61,6 @@ class SourceBase(ABC):
             XML element containing source data
 
         """
-        pass
 
     def to_xml_element(self) -> ET.Element:
         """Return XML representation of the source
@@ -79,7 +78,7 @@ class SourceBase(ABC):
         return element
 
     @classmethod
-    def from_xml_element(cls, elem: ET.Element, meshes=None) -> openmc.SourceBase:
+    def from_xml_element(cls, elem: ET.Element, meshes=None) -> SourceBase:
         """Generate source from an XML element
 
         Parameters
@@ -114,6 +113,8 @@ class SourceBase(ABC):
                 return CompiledSource.from_xml_element(elem)
             elif source_type == 'file':
                 return FileSource.from_xml_element(elem)
+            elif source_type == 'mesh':
+                return MeshSource.from_xml_element(elem, meshes)
             else:
                 raise ValueError(f'Source type {source_type} is not recognized')
 
@@ -292,13 +293,13 @@ class IndependentSource(SourceBase):
 
     def populate_xml_element(self, element):
         """Add necessary source information to an XML element
+
         Returns
         -------
         element : lxml.etree._Element
             XML element containing source data
 
         """
-        super().populate_xml_element(element)
         element.set("particle", self.particle)
         if self.space is not None:
             element.append(self.space.to_xml_element())
@@ -315,7 +316,7 @@ class IndependentSource(SourceBase):
             id_elem.text = ' '.join(str(uid) for uid in self.domain_ids)
 
     @classmethod
-    def from_xml_element(cls, elem: ET.Element, meshes=None) -> 'openmc.SourceBase':
+    def from_xml_element(cls, elem: ET.Element, meshes=None) -> SourceBase:
         """Generate source from an XML element
 
         Parameters
@@ -382,6 +383,154 @@ class IndependentSource(SourceBase):
         return source
 
 
+class MeshSource(SourceBase):
+    """A source with a spatial distribution over mesh elements
+
+    This class represents a mesh-based source in which random positions are
+    uniformly sampled within mesh elements and each element can have independent
+    angle, energy, and time distributions. The element sampled is chosen based
+    on the relative strengths of the sources applied to the elements. The
+    strength of the mesh source as a whole is the sum of all source strengths
+    applied to the elements.
+
+    .. versionadded:: 0.14.1
+
+    Parameters
+    ----------
+    mesh : openmc.MeshBase
+        The mesh over which source sites will be generated.
+    sources : iterable of openmc.SourceBase
+        Sources for each element in the mesh. If spatial distributions are set
+        on any of the source objects, they will be ignored during source site
+        sampling.
+
+    Attributes
+    ----------
+    mesh : openmc.MeshBase
+        The mesh over which source sites will be generated.
+    sources : numpy.ndarray or iterable of openmc.SourceBase
+        The set of sources to apply to each element. The shape of this array
+        must match the shape of the mesh with and exception in the case of
+        unstructured mesh, which allows for application of 1-D array or
+        iterable.
+    strength : float
+        Strength of the source
+    type : str
+        Indicator of source type: 'mesh'
+
+    """
+    def __init__(self, mesh: MeshBase, sources: Sequence[SourceBase]):
+        self.mesh = mesh
+        self.sources = sources
+
+    @property
+    def type(self) -> str:
+        return "mesh"
+
+    @property
+    def mesh(self) -> MeshBase:
+        return self._mesh
+
+    @property
+    def strength(self) -> float:
+        return sum(s.strength for s in self.sources.flat)
+
+    @property
+    def sources(self) -> np.ndarray:
+        return self._sources
+
+    @mesh.setter
+    def mesh(self, m):
+        cv.check_type('source mesh', m, MeshBase)
+        self._mesh = m
+
+    @sources.setter
+    def sources(self, s):
+        cv.check_iterable_type('mesh sources', s, SourceBase, max_depth=3)
+
+        s = np.asarray(s)
+
+        if isinstance(self.mesh, StructuredMesh) and s.shape != self.mesh.dimension:
+            raise ValueError('The shape of the source array'
+                             f'({s.shape}) does not match the '
+                             f'dimensions of the structured mesh ({self.mesh.dimension})')
+        elif isinstance(self.mesh, UnstructuredMesh):
+            if len(s.shape) > 1:
+                raise ValueError('Sources must be a 1-D array for unstructured mesh')
+
+        self._sources = s
+        for src in self._sources.flat:
+            if isinstance(src, IndependentSource) and src.space is not None:
+                warnings.warn('Some sources on the mesh have spatial '
+                              'distributions that will be ignored at runtime.')
+                break
+
+    @strength.setter
+    def strength(self, val):
+        cv.check_type('mesh source strength', val, Real)
+        self.set_total_strength(val)
+
+    def set_total_strength(self, strength: float):
+        """Scales the element source strengths based on a desired total strength.
+
+        Parameters
+        ----------
+        strength : float
+            Total source strength
+
+        """
+        current_strength = self.strength if self.strength != 0.0 else 1.0
+
+        for s in self.sources.flat:
+            s.strength *= strength / current_strength
+
+    def normalize_source_strengths(self):
+        """Update all element source strengths such that they sum to 1.0."""
+        self.set_total_strength(1.0)
+
+    def populate_xml_element(self, elem: ET.Element):
+        """Add necessary source information to an XML element
+
+        Returns
+        -------
+        element : lxml.etree._Element
+            XML element containing source data
+
+        """
+        elem.set("mesh", str(self.mesh.id))
+
+        # write in the order of mesh indices
+        for idx in self.mesh.indices:
+            idx = tuple(i - 1 for i in idx)
+            elem.append(self.sources[idx].to_xml_element())
+
+    @classmethod
+    def from_xml_element(cls, elem: ET.Element, meshes) -> openmc.MeshSource:
+        """
+        Generate MeshSource from an XML element
+
+        Parameters
+        ----------
+        elem : lxml.etree._Element
+            XML element
+        meshes : dict
+            A dictionary with mesh IDs as keys and openmc.MeshBase instances as
+            values
+
+        Returns
+        -------
+        openmc.MeshSource
+            MeshSource generated from the XML element
+        """
+        mesh_id = int(get_text(elem, 'mesh'))
+
+        mesh = meshes[mesh_id]
+
+        sources = [SourceBase.from_xml_element(e) for e in elem.iterchildren('source')]
+        sources = np.asarray(sources).reshape(mesh.dimension, order='F')
+        return cls(mesh, sources)
+
+
 def Source(*args, **kwargs):
     """
     A function for backward compatibility of sources. Will be removed in the
@@ -459,15 +608,13 @@ class CompiledSource(SourceBase):
             XML element containing source data
 
         """
-        super().populate_xml_element(element)
-
         element.set("library", self.library)
 
         if self.parameters is not None:
             element.set("parameters", self.parameters)
 
     @classmethod
-    def from_xml_element(cls, elem: ET.Element, meshes=None) -> openmc.CompiledSource:
+    def from_xml_element(cls, elem: ET.Element) -> openmc.CompiledSource:
         """Generate a compiled source from an XML element
 
         Parameters
@@ -551,8 +698,6 @@ class FileSource(SourceBase):
             XML element containing source data
 
         """
-        super().populate_xml_element(element)
-
         if self.path is not None:
             element.set("file", self.path)
 
diff --git a/openmc/stats/multivariate.py b/openmc/stats/multivariate.py
index 09a2f8752..22c3d7ea8 100644
--- a/openmc/stats/multivariate.py
+++ b/openmc/stats/multivariate.py
@@ -710,6 +710,7 @@ class MeshSpatial(Spatial):
 
         """
         element = ET.Element('space')
+
         element.set('type', 'mesh')
         element.set("mesh_id", str(self.mesh.id))
         element.set("volume_normalized", str(self.volume_normalized))
diff --git a/src/distribution.cpp b/src/distribution.cpp
index 9c76147ee..3026630b3 100644
--- a/src/distribution.cpp
+++ b/src/distribution.cpp
@@ -27,17 +27,17 @@ DiscreteIndex::DiscreteIndex(pugi::xml_node node)
   auto params = get_node_array<double>(node, "parameters");
   std::size_t n = params.size() / 2;
 
-  assign(params.data() + n, n);
+  assign({params.data() + n, n});
 }
 
-DiscreteIndex::DiscreteIndex(const double* p, int n)
+DiscreteIndex::DiscreteIndex(gsl::span<const double> p)
 {
-  assign(p, n);
+  assign(p);
 }
 
-void DiscreteIndex::assign(const double* p, int n)
+void DiscreteIndex::assign(gsl::span<const double> p)
 {
-  prob_.assign(p, p + n);
+  prob_.assign(p.begin(), p.end());
 
   this->init_alias();
 }
@@ -126,7 +126,7 @@ Discrete::Discrete(pugi::xml_node node) : di_(node)
   x_.assign(params.begin(), params.begin() + n);
 }
 
-Discrete::Discrete(const double* x, const double* p, int n) : di_(p, n)
+Discrete::Discrete(const double* x, const double* p, size_t n) : di_({p, n})
 {
 
   x_.assign(x, x + n);
diff --git a/src/distribution_multi.cpp b/src/distribution_multi.cpp
index 0735f0994..b7b3efe52 100644
--- a/src/distribution_multi.cpp
+++ b/src/distribution_multi.cpp
@@ -12,6 +12,25 @@
 
 namespace openmc {
 
+unique_ptr<UnitSphereDistribution> UnitSphereDistribution::create(
+  pugi::xml_node node)
+{
+  // Check for type of angular distribution
+  std::string type;
+  if (check_for_node(node, "type"))
+    type = get_node_value(node, "type", true, true);
+  if (type == "isotropic") {
+    return UPtrAngle {new Isotropic()};
+  } else if (type == "monodirectional") {
+    return UPtrAngle {new Monodirectional(node)};
+  } else if (type == "mu-phi") {
+    return UPtrAngle {new PolarAzimuthal(node)};
+  } else {
+    fatal_error(fmt::format(
+      "Invalid angular distribution for external source: {}", type));
+  }
+}
+
 //==============================================================================
 // UnitSphereDistribution implementation
 //==============================================================================
diff --git a/src/distribution_spatial.cpp b/src/distribution_spatial.cpp
index e1a4c20c2..8f34ea6b9 100644
--- a/src/distribution_spatial.cpp
+++ b/src/distribution_spatial.cpp
@@ -8,6 +8,36 @@
 
 namespace openmc {
 
+//==============================================================================
+// SpatialDistribution implementation
+//==============================================================================
+
+unique_ptr<SpatialDistribution> SpatialDistribution::create(pugi::xml_node node)
+{
+  // Check for type of spatial distribution and read
+  std::string type;
+  if (check_for_node(node, "type"))
+    type = get_node_value(node, "type", true, true);
+  if (type == "cartesian") {
+    return UPtrSpace {new CartesianIndependent(node)};
+  } else if (type == "cylindrical") {
+    return UPtrSpace {new CylindricalIndependent(node)};
+  } else if (type == "spherical") {
+    return UPtrSpace {new SphericalIndependent(node)};
+  } else if (type == "mesh") {
+    return UPtrSpace {new MeshSpatial(node)};
+  } else if (type == "box") {
+    return UPtrSpace {new SpatialBox(node)};
+  } else if (type == "fission") {
+    return UPtrSpace {new SpatialBox(node, true)};
+  } else if (type == "point") {
+    return UPtrSpace {new SpatialPoint(node)};
+  } else {
+    fatal_error(fmt::format(
+      "Invalid spatial distribution for external source: {}", type));
+  }
+}
+
 //==============================================================================
 // CartesianIndependent implementation
 //==============================================================================
@@ -189,27 +219,23 @@ Position SphericalIndependent::sample(uint64_t* seed) const
 
 MeshSpatial::MeshSpatial(pugi::xml_node node)
 {
+
+  if (get_node_value(node, "type", true, true) != "mesh") {
+    fatal_error(fmt::format(
+      "Incorrect spatial type '{}' for a MeshSpatial distribution"));
+  }
+
   // No in-tet distributions implemented, could include distributions for the
   // barycentric coords Read in unstructured mesh from mesh_id value
   int32_t mesh_id = std::stoi(get_node_value(node, "mesh_id"));
   // Get pointer to spatial distribution
   mesh_idx_ = model::mesh_map.at(mesh_id);
 
-  auto mesh_ptr =
-    dynamic_cast<UnstructuredMesh*>(model::meshes.at(mesh_idx_).get());
-  if (!mesh_ptr) {
-    fatal_error("Only unstructured mesh is supported for source sampling.");
-  }
+  const auto mesh_ptr = model::meshes.at(mesh_idx_).get();
 
-  // ensure that the unstructured mesh contains only linear tets
-  for (int bin = 0; bin < mesh_ptr->n_bins(); bin++) {
-    if (mesh_ptr->element_type(bin) != ElementType::LINEAR_TET) {
-      fatal_error(
-        "Mesh specified for source must contain only linear tetrahedra.");
-    }
-  }
+  check_element_types();
 
-  int32_t n_bins = this->n_sources();
+  size_t n_bins = this->n_sources();
   std::vector<double> strengths(n_bins, 1.0);
 
   // Create cdfs for sampling for an element over a mesh
@@ -227,18 +253,44 @@ MeshSpatial::MeshSpatial(pugi::xml_node node)
 
   if (get_node_value_bool(node, "volume_normalized")) {
     for (int i = 0; i < n_bins; i++) {
-      strengths[i] *= mesh()->volume(i);
+      strengths[i] *= this->mesh()->volume(i);
     }
   }
 
-  elem_idx_dist_.assign(strengths.data(), n_bins);
+  elem_idx_dist_.assign(strengths);
+}
+
+MeshSpatial::MeshSpatial(int32_t mesh_idx, gsl::span<const double> strengths)
+  : mesh_idx_(mesh_idx)
+{
+  check_element_types();
+  elem_idx_dist_.assign(strengths);
+}
+
+void MeshSpatial::check_element_types() const
+{
+  const auto umesh_ptr = dynamic_cast<const UnstructuredMesh*>(this->mesh());
+  if (umesh_ptr) {
+    // ensure that the unstructured mesh contains only linear tets
+    for (int bin = 0; bin < umesh_ptr->n_bins(); bin++) {
+      if (umesh_ptr->element_type(bin) != ElementType::LINEAR_TET) {
+        fatal_error(
+          "Mesh specified for source must contain only linear tetrahedra.");
+      }
+    }
+  }
+}
+
+std::pair<int32_t, Position> MeshSpatial::sample_mesh(uint64_t* seed) const
+{
+  // Sample the CDF defined in initialization above
+  int32_t elem_idx = elem_idx_dist_.sample(seed);
+  return {elem_idx, mesh()->sample_element(elem_idx, seed)};
 }
 
 Position MeshSpatial::sample(uint64_t* seed) const
 {
-  // Sample over the CDF defined in initialization above
-  int32_t elem_idx = elem_idx_dist_.sample(seed);
-  return mesh()->sample(seed, elem_idx);
+  return this->sample_mesh(seed).second;
 }
 
 //==============================================================================
diff --git a/src/mesh.cpp b/src/mesh.cpp
index 12052bed6..ea66552de 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -27,6 +27,7 @@
 #include "openmc/hdf5_interface.h"
 #include "openmc/memory.h"
 #include "openmc/message_passing.h"
+#include "openmc/random_dist.h"
 #include "openmc/search.h"
 #include "openmc/settings.h"
 #include "openmc/tallies/filter.h"
@@ -165,6 +166,23 @@ xt::xtensor<int, 1> StructuredMesh::get_x_shape() const
   return xt::adapt(tmp_shape, {n_dimension_});
 }
 
+Position StructuredMesh::sample_element(
+  const MeshIndex& ijk, uint64_t* seed) const
+{
+  // lookup the lower/upper bounds for the mesh element
+  double x_min = negative_grid_boundary(ijk, 0);
+  double x_max = positive_grid_boundary(ijk, 0);
+
+  double y_min = (n_dimension_ >= 2) ? negative_grid_boundary(ijk, 1) : 0.0;
+  double y_max = (n_dimension_ >= 2) ? positive_grid_boundary(ijk, 1) : 0.0;
+
+  double z_min = (n_dimension_ == 3) ? negative_grid_boundary(ijk, 2) : 0.0;
+  double z_max = (n_dimension_ == 3) ? positive_grid_boundary(ijk, 2) : 0.0;
+
+  return {x_min + (x_max - x_min) * prn(seed),
+    y_min + (y_max - y_min) * prn(seed), z_min + (z_max - z_min) * prn(seed)};
+}
+
 //==============================================================================
 // Unstructured Mesh implementation
 //==============================================================================
@@ -381,11 +399,6 @@ StructuredMesh::MeshIndex StructuredMesh::get_indices_from_bin(int bin) const
   return ijk;
 }
 
-Position StructuredMesh::sample(uint64_t* seed, int32_t bin) const
-{
-  fatal_error("Position sampling on structured meshes is not yet implemented");
-}
-
 int StructuredMesh::get_bin(Position r) const
 {
   // Determine indices
@@ -1077,6 +1090,30 @@ StructuredMesh::MeshIndex CylindricalMesh::get_indices(
   return idx;
 }
 
+Position CylindricalMesh::sample_element(
+  const MeshIndex& ijk, uint64_t* seed) const
+{
+  double r_min = this->r(ijk[0] - 1);
+  double r_max = this->r(ijk[0]);
+
+  double phi_min = this->phi(ijk[1] - 1);
+  double phi_max = this->phi(ijk[1]);
+
+  double z_min = this->z(ijk[2] - 1);
+  double z_max = this->z(ijk[2]);
+
+  double r_min_sq = r_min * r_min;
+  double r_max_sq = r_max * r_max;
+  double r = std::sqrt(uniform_distribution(r_min_sq, r_max_sq, seed));
+  double phi = uniform_distribution(phi_min, phi_max, seed);
+  double z = uniform_distribution(z_min, z_max, seed);
+
+  double x = r * std::cos(phi);
+  double y = r * std::sin(phi);
+
+  return origin_ + Position(x, y, z);
+}
+
 double CylindricalMesh::find_r_crossing(
   const Position& r, const Direction& u, double l, int shell) const
 {
@@ -1338,6 +1375,33 @@ StructuredMesh::MeshIndex SphericalMesh::get_indices(
   return idx;
 }
 
+Position SphericalMesh::sample_element(
+  const MeshIndex& ijk, uint64_t* seed) const
+{
+  double r_min = this->r(ijk[0] - 1);
+  double r_max = this->r(ijk[0]);
+
+  double theta_min = this->theta(ijk[1] - 1);
+  double theta_max = this->theta(ijk[1]);
+
+  double phi_min = this->phi(ijk[2] - 1);
+  double phi_max = this->phi(ijk[2]);
+
+  double cos_theta = uniform_distribution(theta_min, theta_max, seed);
+  double sin_theta = std::sin(std::acos(cos_theta));
+  double phi = uniform_distribution(phi_min, phi_max, seed);
+  double r_min_cub = std::pow(r_min, 3);
+  double r_max_cub = std::pow(r_max, 3);
+  // might be faster to do rejection here?
+  double r = std::cbrt(uniform_distribution(r_min_cub, r_max_cub, seed));
+
+  double x = r * std::cos(phi) * sin_theta;
+  double y = r * std::sin(phi) * sin_theta;
+  double z = r * cos_theta;
+
+  return origin_ + Position(x, y, z);
+}
+
 double SphericalMesh::find_r_crossing(
   const Position& r, const Direction& u, double l, int shell) const
 {
@@ -2185,7 +2249,7 @@ std::string MOABMesh::library() const
 }
 
 // Sample position within a tet for MOAB type tets
-Position MOABMesh::sample(uint64_t* seed, int32_t bin) const
+Position MOABMesh::sample_element(int32_t bin, uint64_t* seed) const
 {
 
   moab::EntityHandle tet_ent = get_ent_handle_from_bin(bin);
@@ -2672,7 +2736,7 @@ void LibMesh::initialize()
 }
 
 // Sample position within a tet for LibMesh type tets
-Position LibMesh::sample(uint64_t* seed, int32_t bin) const
+Position LibMesh::sample_element(int32_t bin, uint64_t* seed) const
 {
   const auto& elem = get_element_from_bin(bin);
   // Get tet vertex coordinates from LibMesh
diff --git a/src/settings.cpp b/src/settings.cpp
index c0a3aacf3..a5256c9c2 100644
--- a/src/settings.cpp
+++ b/src/settings.cpp
@@ -457,28 +457,7 @@ void read_settings_xml(pugi::xml_node root)
 
   // Get point to list of <source> elements and make sure there is at least one
   for (pugi::xml_node node : root.children("source")) {
-    if (check_for_node(node, "file")) {
-      auto path = get_node_value(node, "file", false, true);
-      if (ends_with(path, ".mcpl") || ends_with(path, ".mcpl.gz")) {
-        auto sites = mcpl_source_sites(path);
-        model::external_sources.push_back(make_unique<FileSource>(sites));
-      } else {
-        model::external_sources.push_back(make_unique<FileSource>(path));
-      }
-    } else if (check_for_node(node, "library")) {
-      // Get shared library path and parameters
-      auto path = get_node_value(node, "library", false, true);
-      std::string parameters;
-      if (check_for_node(node, "parameters")) {
-        parameters = get_node_value(node, "parameters", false, true);
-      }
-
-      // Create custom source
-      model::external_sources.push_back(
-        make_unique<CompiledSourceWrapper>(path, parameters));
-    } else {
-      model::external_sources.push_back(make_unique<IndependentSource>(node));
-    }
+    model::external_sources.push_back(Source::create(node));
   }
 
   // Check if the user has specified to read surface source
diff --git a/src/source.cpp b/src/source.cpp
index 3ddd903bf..bf52b568a 100644
--- a/src/source.cpp
+++ b/src/source.cpp
@@ -22,6 +22,7 @@
 #include "openmc/geometry.h"
 #include "openmc/hdf5_interface.h"
 #include "openmc/material.h"
+#include "openmc/mcpl_interface.h"
 #include "openmc/memory.h"
 #include "openmc/message_passing.h"
 #include "openmc/mgxs_interface.h"
@@ -31,6 +32,7 @@
 #include "openmc/settings.h"
 #include "openmc/simulation.h"
 #include "openmc/state_point.h"
+#include "openmc/string_utils.h"
 #include "openmc/xml_interface.h"
 
 namespace openmc {
@@ -44,6 +46,39 @@ namespace model {
 vector<unique_ptr<Source>> external_sources;
 }
 
+//==============================================================================
+// Source create implementation
+//==============================================================================
+
+unique_ptr<Source> Source::create(pugi::xml_node node)
+{
+  // if the source type is present, use it to determine the type
+  // of object to create
+  if (check_for_node(node, "type")) {
+    std::string source_type = get_node_value(node, "type");
+    if (source_type == "independent") {
+      return make_unique<IndependentSource>(node);
+    } else if (source_type == "file") {
+      return make_unique<FileSource>(node);
+    } else if (source_type == "compiled") {
+      return make_unique<CompiledSourceWrapper>(node);
+    } else if (source_type == "mesh") {
+      return make_unique<MeshSource>(node);
+    } else {
+      fatal_error(fmt::format("Invalid source type '{}' found.", source_type));
+    }
+  } else {
+    // support legacy source format
+    if (check_for_node(node, "file")) {
+      return make_unique<FileSource>(node);
+    } else if (check_for_node(node, "library")) {
+      return make_unique<CompiledSourceWrapper>(node);
+    } else {
+      return make_unique<IndependentSource>(node);
+    }
+  }
+}
+
 //==============================================================================
 // IndependentSource implementation
 //==============================================================================
@@ -81,32 +116,7 @@ IndependentSource::IndependentSource(pugi::xml_node node)
 
     // Spatial distribution for external source
     if (check_for_node(node, "space")) {
-      // Get pointer to spatial distribution
-      pugi::xml_node node_space = node.child("space");
-
-      // Check for type of spatial distribution and read
-      std::string type;
-      if (check_for_node(node_space, "type"))
-        type = get_node_value(node_space, "type", true, true);
-      if (type == "cartesian") {
-        space_ = UPtrSpace {new CartesianIndependent(node_space)};
-      } else if (type == "cylindrical") {
-        space_ = UPtrSpace {new CylindricalIndependent(node_space)};
-      } else if (type == "spherical") {
-        space_ = UPtrSpace {new SphericalIndependent(node_space)};
-      } else if (type == "mesh") {
-        space_ = UPtrSpace {new MeshSpatial(node_space)};
-      } else if (type == "box") {
-        space_ = UPtrSpace {new SpatialBox(node_space)};
-      } else if (type == "fission") {
-        space_ = UPtrSpace {new SpatialBox(node_space, true)};
-      } else if (type == "point") {
-        space_ = UPtrSpace {new SpatialPoint(node_space)};
-      } else {
-        fatal_error(fmt::format(
-          "Invalid spatial distribution for external source: {}", type));
-      }
-
+      space_ = SpatialDistribution::create(node.child("space"));
     } else {
       // If no spatial distribution specified, make it a point source
       space_ = UPtrSpace {new SpatialPoint()};
@@ -114,24 +124,7 @@ IndependentSource::IndependentSource(pugi::xml_node node)
 
     // Determine external source angular distribution
     if (check_for_node(node, "angle")) {
-      // Get pointer to angular distribution
-      pugi::xml_node node_angle = node.child("angle");
-
-      // Check for type of angular distribution
-      std::string type;
-      if (check_for_node(node_angle, "type"))
-        type = get_node_value(node_angle, "type", true, true);
-      if (type == "isotropic") {
-        angle_ = UPtrAngle {new Isotropic()};
-      } else if (type == "monodirectional") {
-        angle_ = UPtrAngle {new Monodirectional(node_angle)};
-      } else if (type == "mu-phi") {
-        angle_ = UPtrAngle {new PolarAzimuthal(node_angle)};
-      } else {
-        fatal_error(fmt::format(
-          "Invalid angular distribution for external source: {}", type));
-      }
-
+      angle_ = UnitSphereDistribution::create(node.child("angle"));
     } else {
       angle_ = UPtrAngle {new Isotropic()};
     }
@@ -290,8 +283,22 @@ SourceSite IndependentSource::sample(uint64_t* seed) const
 //==============================================================================
 // FileSource implementation
 //==============================================================================
+FileSource::FileSource(pugi::xml_node node)
+{
+  auto path = get_node_value(node, "file", false, true);
+  if (ends_with(path, ".mcpl") || ends_with(path, ".mcpl.gz")) {
+    sites_ = mcpl_source_sites(path);
+  } else {
+    this->load_sites_from_file(path);
+  }
+}
 
-FileSource::FileSource(std::string path)
+FileSource::FileSource(const std::string& path)
+{
+  load_sites_from_file(path);
+}
+
+void FileSource::load_sites_from_file(const std::string& path)
 {
   // Check if source file exists
   if (!file_exists(path)) {
@@ -328,9 +335,19 @@ SourceSite FileSource::sample(uint64_t* seed) const
 //==============================================================================
 // CompiledSourceWrapper implementation
 //==============================================================================
+CompiledSourceWrapper::CompiledSourceWrapper(pugi::xml_node node)
+{
+  // Get shared library path and parameters
+  auto path = get_node_value(node, "library", false, true);
+  std::string parameters;
+  if (check_for_node(node, "parameters")) {
+    parameters = get_node_value(node, "parameters", false, true);
+  }
+  setup(path, parameters);
+}
 
-CompiledSourceWrapper::CompiledSourceWrapper(
-  std::string path, std::string parameters)
+void CompiledSourceWrapper::setup(
+  const std::string& path, const std::string& parameters)
 {
 #ifdef HAS_DYNAMIC_LINKING
   // Open the library
@@ -378,6 +395,50 @@ CompiledSourceWrapper::~CompiledSourceWrapper()
 #endif
 }
 
+//==============================================================================
+// MeshSource implementation
+//==============================================================================
+
+MeshSource::MeshSource(pugi::xml_node node)
+{
+  int32_t mesh_id = stoi(get_node_value(node, "mesh"));
+  int32_t mesh_idx = model::mesh_map.at(mesh_id);
+  const auto& mesh = model::meshes[mesh_idx];
+
+  std::vector<double> strengths;
+  // read all source distributions and populate strengths vector for MeshSpatial
+  // object
+  for (auto source_node : node.children("source")) {
+    sources_.emplace_back(Source::create(source_node));
+    strengths.push_back(sources_.back()->strength());
+  }
+
+  // the number of source distributions should either be one or equal to the
+  // number of mesh elements
+  if (sources_.size() > 1 && sources_.size() != mesh->n_bins()) {
+    fatal_error(fmt::format("Incorrect number of source distributions ({}) for "
+                            "mesh source with {} elements.",
+      sources_.size(), mesh->n_bins()));
+  }
+
+  space_ = std::make_unique<MeshSpatial>(mesh_idx, strengths);
+}
+
+SourceSite MeshSource::sample(uint64_t* seed) const
+{
+  // sample location and element from mesh
+  auto mesh_location = space_->sample_mesh(seed);
+
+  // Sample source for the chosen element
+  int32_t element = mesh_location.first;
+  SourceSite site = source(element)->sample(seed);
+
+  // Replace spatial position with the one already sampled
+  site.r = mesh_location.second;
+
+  return site;
+}
+
 //==============================================================================
 // Non-member functions
 //==============================================================================
diff --git a/tests/unit_tests/test_source_mesh.py b/tests/unit_tests/test_source_mesh.py
index fd8b04148..7bec2d072 100644
--- a/tests/unit_tests/test_source_mesh.py
+++ b/tests/unit_tests/test_source_mesh.py
@@ -1,6 +1,5 @@
 from itertools import product
 from pathlib import Path
-from subprocess import call
 
 import pytest
 import numpy as np
@@ -8,9 +7,11 @@ import openmc
 import openmc.lib
 
 from tests import cdtemp
-from tests.regression_tests import config
 
 
+###################
+# MeshSpatial Tests
+###################
 TETS_PER_VOXEL = 12
 
 # This test uses a geometry file with cells that match a regular mesh. Each cell
@@ -48,9 +49,9 @@ def model():
     settings.particles = 100
     settings.batches = 2
 
-    return openmc.model.Model(geometry=geometry,
-                              materials=materials,
-                              settings=settings)
+    return openmc.Model(geometry=geometry,
+                        materials=materials,
+                        settings=settings)
 
 ### Setup test cases ###
 param_values = (['libmesh', 'moab'], # mesh libraries
@@ -174,6 +175,7 @@ def test_strengths_size_failure(request, model):
         model.export_to_xml()
         openmc.run()
 
+
 def test_roundtrip(run_in_tmpdir, model, request):
     if not openmc.lib._libmesh_enabled() and not openmc.lib._dagmc_enabled():
         pytest.skip("Unstructured mesh is not enabled in this build.")
@@ -201,3 +203,158 @@ def test_roundtrip(run_in_tmpdir, model, request):
 
     assert space_in.mesh.id == space_out.mesh.id
     assert space_in.volume_normalized == space_out.volume_normalized
+
+
+###################
+# MeshSource tests
+###################
+@pytest.mark.parametrize('mesh_type', ('rectangular', 'cylindrical'))
+def test_mesh_source_independent(run_in_tmpdir, mesh_type):
+    """
+    A void model containing a single box
+    """
+    min, max = -10, 10
+    box = openmc.model.RectangularParallelepiped(
+        min, max, min, max, min, max, boundary_type='vacuum')
+
+    geometry = openmc.Geometry([openmc.Cell(region=-box)])
+
+    settings = openmc.Settings()
+    settings.particles = 100
+    settings.batches = 10
+    settings.run_mode = 'fixed source'
+
+    model = openmc.Model(geometry=geometry, settings=settings)
+
+    # define a 2 x 2 x 2 mesh
+    if mesh_type == 'rectangular':
+        mesh = openmc.RegularMesh.from_domain(model.geometry, (2, 2, 2))
+    elif mesh_type == 'cylindrical':
+        mesh = openmc.CylindricalMesh.from_domain(model.geometry, (1, 4, 2))
+
+    energy = openmc.stats.Discrete([1.e6], [1.0])
+
+    # create sources with only one non-zero strength for the source in the mesh
+    # voxel occupying the lowest octant. Direct source particles straight out of
+    # the problem from there. This demonstrates that
+    # 1) particles are only being sourced within the intented mesh voxel based
+    #    on source strength
+    # 2) particles are respecting the angle distributions assigned to each voxel
+    sources = np.empty(mesh.dimension, dtype=openmc.SourceBase)
+    centroids = mesh.centroids
+    x, y, z = np.swapaxes(mesh.centroids, -1, 0)
+    for i, j, k in mesh.indices:
+        # mesh.indices is currently one-indexed, adjust for Python arrays
+        ijk = (i-1, j-1, k-1)
+
+        # get the centroid of the ijk mesh element and use it to set the
+        # direction of the source directly out of the problem
+        centroid = centroids[ijk]
+        vec = np.sign(centroid, dtype=float)
+        vec /= np.linalg.norm(vec)
+        angle = openmc.stats.Monodirectional(vec)
+        sources[ijk] = openmc.IndependentSource(energy=energy, angle=angle, strength=0.0)
+
+    # create and apply the mesh source
+    mesh_source = openmc.MeshSource(mesh, sources)
+    model.settings.source = mesh_source
+
+    # tally the flux on the mesh
+    mesh_filter = openmc.MeshFilter(mesh)
+    tally = openmc.Tally()
+    tally.filters = [mesh_filter]
+    tally.scores = ['flux']
+
+    model.tallies = openmc.Tallies([tally])
+
+    # for each element, set a single-non zero source with particles
+    # traveling out of the mesh (and geometry) w/o crossing any other
+    # mesh elements
+    for i, j, k in mesh.indices:
+        ijk = (i-1, j-1, k-1)
+        # zero-out all source strengths and set the strength
+        # on the element of interest
+        mesh_source.strength = 0.0
+        mesh_source.sources[ijk].strength = 1.0
+
+        sp_file = model.run()
+
+        with openmc.StatePoint(sp_file) as sp:
+            tally_out = sp.get_tally(id=tally.id)
+            mean = tally_out.get_reshaped_data(expand_dims=True)
+
+        # remove nuclides and scores axes
+        mean = mean[..., 0, 0]
+        # the mesh elment with a non-zero source strength should have a value
+        assert mean[ijk] != 0
+        # all other values should be zero
+        mean[ijk] = 0
+        assert np.all(mean == 0), f'Failed on index {ijk} with centroid {mesh.centroids[ijk]}'
+
+        # test roundtrip
+        xml_model = openmc.Model.from_model_xml()
+        xml_source = xml_model.settings.source[0]
+        assert isinstance(xml_source, openmc.MeshSource)
+        assert xml_source.strength == 1.0
+        assert isinstance(xml_source.mesh, type(mesh_source.mesh))
+        assert xml_source.mesh.dimension == mesh_source.mesh.dimension
+        assert xml_source.mesh.id == mesh_source.mesh.id
+        assert len(xml_source.sources) == len(mesh_source.sources)
+
+    # check strength adjustment methods
+    assert mesh_source.strength == 1.0
+    mesh_source.strength = 100.0
+    assert mesh_source.strength == 100.0
+
+    mesh_source.normalize_source_strengths()
+    assert mesh_source.strength == 1.0
+
+
+def test_mesh_source_file(run_in_tmpdir):
+    # Creating a source file with a single particle
+    source_particle = openmc.SourceParticle(time=10.0)
+    openmc.write_source_file([source_particle], 'source.h5')
+    file_source = openmc.FileSource('source.h5')
+
+    model = openmc.Model()
+
+    rect_prism = openmc.model.RectangularParallelepiped(
+        -5.0, 5.0, -5.0, 5.0, -5.0, 5.0, boundary_type='vacuum')
+
+    mat = openmc.Material()
+    mat.add_nuclide('H1', 1.0)
+
+    model.geometry = openmc.Geometry([openmc.Cell(fill=mat, region=-rect_prism)])
+    model.settings.particles = 1000
+    model.settings.batches = 10
+    model.settings.run_mode = 'fixed source'
+
+    mesh = openmc.RegularMesh()
+    mesh.lower_left = (-1, -2, -3)
+    mesh.upper_right = (2, 3, 4)
+    mesh.dimension = (1, 1, 1)
+
+    mesh_source_arr = np.asarray([file_source]).reshape(mesh.dimension)
+    source = openmc.MeshSource(mesh, mesh_source_arr)
+
+    model.settings.source = source
+
+    model.export_to_model_xml()
+
+    openmc.lib.init()
+    openmc.lib.simulation_init()
+    sites = openmc.lib.sample_external_source(10)
+    openmc.lib.simulation_finalize()
+    openmc.lib.finalize()
+
+    # The mesh bounds do not contain the point of the lone source site in the
+    # file source, so it should not appear in the set of source sites produced
+    # from the mesh source. Additionally, the source should be located within
+    # the mesh
+    bbox = mesh.bounding_box
+    for site in sites:
+        assert site.r != (0, 0, 0)
+        assert site.E == source_particle.E
+        assert site.u == source_particle.u
+        assert site.time == source_particle.time
+        assert site.r in bbox

From ec8850deac2046668ab087f1f5f14a9df4614008 Mon Sep 17 00:00:00 2001
From: John Tramm <john.tramm@gmail.com>
Date: Mon, 4 Dec 2023 12:08:47 -0600
Subject: [PATCH 1996/2654] OpenMPMutex "Copying" (#2794)

---
 include/openmc/openmp_interface.h | 25 ++++++++++++++++++++-----
 1 file changed, 20 insertions(+), 5 deletions(-)

diff --git a/include/openmc/openmp_interface.h b/include/openmc/openmp_interface.h
index dac03ac59..b489df0c9 100644
--- a/include/openmc/openmp_interface.h
+++ b/include/openmc/openmp_interface.h
@@ -29,11 +29,26 @@ public:
 #endif
   }
 
-  // Mutexes cannot be copied.  We need to explicitly delete the copy
-  // constructor and copy assignment operator to ensure the compiler doesn't
-  // "help" us by implicitly trying to copy the underlying mutexes.
-  OpenMPMutex(const OpenMPMutex&) = delete;
-  OpenMPMutex& operator=(const OpenMPMutex&) = delete;
+  // omp_lock_t objects cannot be deep copied, they can only be shallow
+  // copied. Thus, while shallow copying of an omp_lock_t object is
+  // completely valid (provided no race conditions exist), true copying
+  // of an OpenMPMutex object is not valid due to the action of the
+  // destructor. However, since locks are fungible, we can simply replace
+  // copying operations with default construction. This allows storage of
+  // OpenMPMutex objects within containers that may need to move/copy them
+  // (e.g., std::vector). It is left to the caller to understand that
+  // copying of OpenMPMutex does not produce two handles to the same mutex,
+  // rather, it produces two different mutexes.
+
+  // Copy constructor
+  OpenMPMutex(const OpenMPMutex& other) { OpenMPMutex(); }
+
+  // Copy assignment operator
+  OpenMPMutex& operator=(const OpenMPMutex& other)
+  {
+    OpenMPMutex();
+    return *this;
+  }
 
   //! Lock the mutex.
   //

From 3901709141f6e1e85707fa1ce901199df081cc29 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 6 Dec 2023 12:35:10 -0600
Subject: [PATCH 1997/2654] Do not link against several transitive dependencies
 of HDF5 (#2797)

---
 CMakeLists.txt | 5 +++++
 1 file changed, 5 insertions(+)

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 7269f4e63..bf3555d84 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -155,6 +155,11 @@ if(NOT DEFINED HDF5_PREFER_PARALLEL)
 endif()
 
 find_package(HDF5 REQUIRED COMPONENTS C HL)
+
+# Remove HDF5 transitive dependencies that are system libraries
+list(FILTER HDF5_LIBRARIES EXCLUDE REGEX ".*lib(pthread|dl|m).*")
+message(STATUS "HDF5 Libraries: ${HDF5_LIBRARIES}")
+
 if(HDF5_IS_PARALLEL)
   if(NOT OPENMC_USE_MPI)
     message(FATAL_ERROR "Parallel HDF5 was detected, but MPI was not enabled.\

From fe07c54bc6eca81cb92e81db2add78f30c2d35a7 Mon Sep 17 00:00:00 2001
From: John Tramm <john.tramm@gmail.com>
Date: Tue, 12 Dec 2023 13:26:18 -0600
Subject: [PATCH 1998/2654] Pytest Update Documentation (#2801)

---
 docs/source/devguide/tests.rst | 6 ++++++
 1 file changed, 6 insertions(+)

diff --git a/docs/source/devguide/tests.rst b/docs/source/devguide/tests.rst
index 9a102d2dc..d8fc53b3a 100644
--- a/docs/source/devguide/tests.rst
+++ b/docs/source/devguide/tests.rst
@@ -134,6 +134,12 @@ following files to your new test directory:
       compiler options during openmc configuration and build (e.g., no MPI, no
       debug/optimization).
 
+For tests using the Python API, both the **inputs_true.dat** and
+**results_true.dat** files can be generated automatically in the correct format
+via::
+
+    pytest --update <name-of-test>
+
 In addition to this description, please see the various types of tests that are
 already included in the test suite to see how to create them. If all is
 implemented correctly, the new test will automatically be discovered by pytest.

From a833c176ab91622bf03789d2435f95bff82c01b0 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Tue, 12 Dec 2023 19:29:43 +0000
Subject: [PATCH 1999/2654] Adding get cylindrical mesh index at specified
 coordinates (#2782)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/mesh.py                | 62 ++++++++++++++++++++++++++++++++++-
 tests/unit_tests/test_mesh.py | 48 +++++++++++++++++++++++++++
 2 files changed, 109 insertions(+), 1 deletion(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index a14cec5dc..560d54042 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -2,7 +2,7 @@ import typing
 import warnings
 from abc import ABC, abstractmethod
 from collections.abc import Iterable
-from math import pi
+from math import pi, sqrt, atan2
 from numbers import Integral, Real
 from pathlib import Path
 from typing import Optional, Sequence, Tuple
@@ -1347,6 +1347,66 @@ class CylindricalMesh(StructuredMesh):
             string += fmt.format('\tZ Max:', '=\t', self._z_grid[-1])
         return string
 
+    def get_indices_at_coords(
+            self,
+            coords: Sequence[float]
+        ) -> Tuple[int, int, int]:
+        """Finds the index of the mesh voxel at the specified x,y,z coordinates.
+
+        Parameters
+        ----------
+        coords : Sequence[float]
+            The x, y, z axis coordinates
+
+        Returns
+        -------
+        Tuple[int, int, int]
+            The r, phi, z indices
+
+        """
+        r_value_from_origin = sqrt((coords[0]-self.origin[0])**2 + (coords[1]-self.origin[1])**2)
+
+        if r_value_from_origin < self.r_grid[0] or r_value_from_origin > self.r_grid[-1]:
+            raise ValueError(
+                f'The specified x, y ({coords[0]}, {coords[1]}) combine to give an r value of '
+                f'{r_value_from_origin} from the origin of {self.origin}.which '
+                f'is outside the origin absolute r grid values {self.r_grid}.'
+            )
+
+        r_index = np.searchsorted(self.r_grid, r_value_from_origin) - 1
+
+        z_grid_values = np.array(self.z_grid) + self.origin[2]
+
+        if coords[2] < z_grid_values[0] or coords[2] > z_grid_values[-1]:
+            raise ValueError(
+                f'The specified z value ({coords[2]}) from the z origin of '
+                f'{self.origin[-1]} is outside of the absolute z grid range {z_grid_values}.'
+            )
+
+        z_index = np.argmax(z_grid_values > coords[2]) - 1
+
+        delta_x = coords[0] - self.origin[0]
+        delta_y = coords[1] - self.origin[1]
+        # atan2 returns values in -pi to +pi range
+        phi_value = atan2(delta_y, delta_x)
+        if delta_x < 0 and delta_y < 0:
+            # returned phi_value anticlockwise and negative
+            phi_value += 2 * pi
+        if delta_x > 0 and delta_y < 0:
+            # returned phi_value anticlockwise and negative
+            phi_value += 2 * pi
+
+        phi_grid_values = np.array(self.phi_grid)
+
+        if phi_value < phi_grid_values[0] or phi_value > phi_grid_values[-1]:
+            raise ValueError(
+                f'The phi value ({phi_value}) resulting from the specified x, y '
+                f'values is outside of the absolute  phi grid range {phi_grid_values}.'
+            )
+        phi_index = np.argmax(phi_grid_values > phi_value) - 1
+
+        return (r_index, phi_index, z_index)
+
     @classmethod
     def from_hdf5(cls, group: h5py.Group):
         mesh_id = int(group.name.split('/')[-1].lstrip('mesh '))
diff --git a/tests/unit_tests/test_mesh.py b/tests/unit_tests/test_mesh.py
index 06d543610..2a4ff6cbb 100644
--- a/tests/unit_tests/test_mesh.py
+++ b/tests/unit_tests/test_mesh.py
@@ -77,6 +77,7 @@ def test_cylindrical_mesh_bounding_box():
     np.testing.assert_array_equal(mesh.lower_left, (2, 4, -3))
     np.testing.assert_array_equal(mesh.upper_right, (4, 6, 17))
 
+
 def test_spherical_mesh_bounding_box():
     # test with mesh at origin (0, 0, 0)
     mesh = openmc.SphericalMesh([0.1, 0.2, 0.5, 1.], origin=(0., 0., 0.))
@@ -239,4 +240,51 @@ def test_mesh_vertices(mesh_type):
         np.testing.assert_equal(mesh.vertices_spherical[ijk], exp_vert)
 
 
+def test_CylindricalMesh_get_indices_at_coords():
+    # default origin (0, 0, 0) and default phi grid (0, 2*pi)
+    mesh = openmc.CylindricalMesh(r_grid=(0, 5, 10), z_grid=(0, 5, 10))
+    assert mesh.get_indices_at_coords([1, 0, 1]) == (0, 0, 0)
+    assert mesh.get_indices_at_coords([6, 0, 1]) == (1, 0, 0)
+    assert mesh.get_indices_at_coords([9, 0, 1]) == (1, 0, 0)
+    assert mesh.get_indices_at_coords([0, 6, 0]) == (1, 0, 0)
+    assert mesh.get_indices_at_coords([0, 9, 6]) == (1, 0, 1)
+    assert mesh.get_indices_at_coords([-2, -2, 9]) == (0, 0, 1)
 
+    with pytest.raises(ValueError):
+        assert mesh.get_indices_at_coords([8, 8, 1])  # resulting r value to large
+    with pytest.raises(ValueError):
+        assert mesh.get_indices_at_coords([-8, -8, 1])  # resulting r value to large
+    with pytest.raises(ValueError):
+        assert mesh.get_indices_at_coords([1, 0, -1])  # z value below range
+    with pytest.raises(ValueError):
+        assert mesh.get_indices_at_coords([1, 0, 11])  # z value above range
+
+    assert mesh.get_indices_at_coords([1, 1, 1]) == (0, 0, 0)
+
+    # negative range on z grid
+    mesh = openmc.CylindricalMesh(
+        r_grid=(0, 5, 10),
+        phi_grid=(0, 0.5 * pi, pi, 1.5 * pi, 1.9 * pi),
+        z_grid=(-5, 0, 5, 10),
+    )
+    assert mesh.get_indices_at_coords([1, 1, 1]) == (0, 0, 1)  # first angle quadrant
+    assert mesh.get_indices_at_coords([2, 2, 6]) == (0, 0, 2)  # first angle quadrant
+    assert mesh.get_indices_at_coords([-2, 0.1, -1]) == (0, 1, 0)  # second angle quadrant
+    assert mesh.get_indices_at_coords([-2, -0.1, -1]) == (0, 2, 0)  # third angle quadrant
+    assert mesh.get_indices_at_coords([2, -0.9, -1]) == (0, 3, 0)  # forth angle quadrant
+
+    with pytest.raises(ValueError):
+        assert mesh.get_indices_at_coords([2, -0.1, 1])  # outside of phi range
+
+    # origin of mesh not default
+    mesh = openmc.CylindricalMesh(
+        r_grid=(0, 5, 10),
+        phi_grid=(0, 0.5 * pi, pi, 1.5 * pi, 1.9 * pi),
+        z_grid=(-5, 0, 5, 10),
+        origin=(100, 200, 300),
+    )
+    assert mesh.get_indices_at_coords([101, 201, 301]) == (0, 0, 1)  # first angle quadrant
+    assert mesh.get_indices_at_coords([102, 202, 306]) == (0, 0, 2)  # first angle quadrant
+    assert mesh.get_indices_at_coords([98, 200.1, 299]) == (0, 1, 0)  # second angle quadrant
+    assert mesh.get_indices_at_coords([98, 199.9, 299]) == (0, 2, 0)  # third angle quadrant
+    assert mesh.get_indices_at_coords([102, 199.1, 299]) == (0, 3, 0)  # forth angle quadrant

From 124e62fc58e7884123f1fdf7de7f4cacf6210195 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Tue, 12 Dec 2023 19:32:09 +0000
Subject: [PATCH 2000/2654] added path arg to integrator.integrate (#2784)

---
 openmc/deplete/abc.py | 29 ++++++++++++++++++++++-------
 1 file changed, 22 insertions(+), 7 deletions(-)

diff --git a/openmc/deplete/abc.py b/openmc/deplete/abc.py
index 5d906efd8..dd4df21fb 100644
--- a/openmc/deplete/abc.py
+++ b/openmc/deplete/abc.py
@@ -18,7 +18,7 @@ from warnings import warn
 from numpy import nonzero, empty, asarray
 from uncertainties import ufloat
 
-from openmc.checkvalue import check_type, check_greater_than
+from openmc.checkvalue import check_type, check_greater_than, PathLike
 from openmc.mpi import comm
 from .stepresult import StepResult
 from .chain import Chain
@@ -762,7 +762,12 @@ class Integrator(ABC):
         return (self.operator.prev_res[-1].time[-1],
                 len(self.operator.prev_res) - 1)
 
-    def integrate(self, final_step=True, output=True):
+    def integrate(
+            self,
+            final_step: bool = True,
+            output: bool = True,
+            path: PathLike = 'depletion_results.h5'
+        ):
         """Perform the entire depletion process across all steps
 
         Parameters
@@ -776,6 +781,10 @@ class Integrator(ABC):
             Indicate whether to display information about progress
 
             .. versionadded:: 0.13.1
+        path : PathLike
+            Path to file to write. Defaults to 'depletion_results.h5'.
+
+            .. versionadded:: 0.14.1
         """
         with change_directory(self.operator.output_dir):
             n = self.operator.initial_condition()
@@ -802,7 +811,7 @@ class Integrator(ABC):
                 n = n_list.pop()
 
                 StepResult.save(self.operator, n_list, res_list, [t, t + dt],
-                                source_rate, self._i_res + i, proc_time)
+                                source_rate, self._i_res + i, proc_time, path)
 
                 t += dt
 
@@ -954,15 +963,21 @@ class SIIntegrator(Integrator):
             self.operator.settings.particles //= self.n_steps
         return inherited
 
-    def integrate(self, output=True):
+    def integrate(
+            self,
+            output: bool = True,
+            path: PathLike = "depletion_results.h5"
+        ):
         """Perform the entire depletion process across all steps
 
         Parameters
         ----------
         output : bool, optional
             Indicate whether to display information about progress
+        path : PathLike
+            Path to file to write. Defaults to 'depletion_results.h5'.
 
-            .. versionadded:: 0.13.1
+            .. versionadded:: 0.14.1
         """
         with change_directory(self.operator.output_dir):
             n = self.operator.initial_condition()
@@ -992,13 +1007,13 @@ class SIIntegrator(Integrator):
                 n = n_list.pop()
 
                 StepResult.save(self.operator, n_list, res_list, [t, t + dt],
-                             p, self._i_res + i, proc_time)
+                             p, self._i_res + i, proc_time, path)
 
                 t += dt
 
             # No final simulation for SIE, use last iteration results
             StepResult.save(self.operator, [n], [res_list[-1]], [t, t],
-                         p, self._i_res + len(self), proc_time)
+                         p, self._i_res + len(self), proc_time, path)
             self.operator.write_bos_data(self._i_res + len(self))
 
         self.operator.finalize()

From 15a2199c0d8496282dce1f88b41a7dab1155b897 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Tue, 12 Dec 2023 22:58:17 +0000
Subject: [PATCH 2001/2654] adding get_all_nuclides method to geometry class
 (#2796)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/geometry.py                | 14 ++++++++++++++
 tests/unit_tests/test_geometry.py | 12 ++++++++++++
 2 files changed, 26 insertions(+)

diff --git a/openmc/geometry.py b/openmc/geometry.py
index fb2488f78..60f4a390d 100644
--- a/openmc/geometry.py
+++ b/openmc/geometry.py
@@ -391,6 +391,20 @@ class Geometry:
         universes.update(self.root_universe.get_all_universes())
         return universes
 
+    def get_all_nuclides(self) -> typing.List[str]:
+        """Return all nuclides within the geometry.
+
+        Returns
+        -------
+        list
+            Sorted list of all nuclides in materials appearing in the geometry
+
+        """
+        all_nuclides = set()
+        for material in self.get_all_materials().values():
+            all_nuclides |= set(material.get_nuclides())
+        return sorted(all_nuclides)
+
     def get_all_materials(self) -> typing.Dict[int, openmc.Material]:
         """Return all materials within the geometry.
 
diff --git a/tests/unit_tests/test_geometry.py b/tests/unit_tests/test_geometry.py
index ff94bc932..f5a1bd7db 100644
--- a/tests/unit_tests/test_geometry.py
+++ b/tests/unit_tests/test_geometry.py
@@ -378,3 +378,15 @@ def test_remove_redundant_surfaces():
     # There should be 0 remaining redundant surfaces
     n_redundant_surfs = len(geom.remove_redundant_surfaces().keys())
     assert n_redundant_surfs == 0
+
+def test_get_all_nuclides():
+    m1 = openmc.Material()
+    m1.add_nuclide('Fe56', 1)
+    m1.add_nuclide('Be9', 1)
+    m2 = openmc.Material()
+    m2.add_nuclide('Be9', 1)
+    s = openmc.Sphere()
+    c1 = openmc.Cell(fill=m1, region=-s)
+    c2 = openmc.Cell(fill=m2, region=+s)
+    geom = openmc.Geometry([c1, c2])
+    assert geom.get_all_nuclides() == ['Be9', 'Fe56']

From 552adc005cd46d737ace131d020852519898eb56 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Tue, 12 Dec 2023 23:37:53 +0000
Subject: [PATCH 2002/2654] added check to length of input args for
 IndependantOperator (#2799)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/deplete/independent_operator.py         |  8 ++++++++
 .../test_deplete_independent_operator.py       | 18 +++++++++++++++++-
 2 files changed, 25 insertions(+), 1 deletion(-)

diff --git a/openmc/deplete/independent_operator.py b/openmc/deplete/independent_operator.py
index b45c8ad75..5469b28c7 100644
--- a/openmc/deplete/independent_operator.py
+++ b/openmc/deplete/independent_operator.py
@@ -130,6 +130,14 @@ class IndependentOperator(OpenMCOperator):
         # Validate micro-xs parameters
         check_type('materials', materials, openmc.Materials)
         check_type('micros', micros, Iterable, MicroXS)
+        check_type('fluxes', fluxes, Iterable, float)
+
+        if not (len(fluxes) == len(micros) == len(materials)):
+            msg = (f'The length of fluxes ({len(fluxes)}) should be equal to '
+                   f'the length of micros ({len(micros)}) and the length of '
+                   f'materials ({len(materials)}).')
+            raise ValueError(msg)
+
         if keff is not None:
             check_type('keff', keff, tuple, float)
             keff = ufloat(*keff)
diff --git a/tests/unit_tests/test_deplete_independent_operator.py b/tests/unit_tests/test_deplete_independent_operator.py
index 813ac06de..9129cf064 100644
--- a/tests/unit_tests/test_deplete_independent_operator.py
+++ b/tests/unit_tests/test_deplete_independent_operator.py
@@ -4,8 +4,10 @@
 
 from pathlib import Path
 
-from openmc.deplete import IndependentOperator, MicroXS
+import pytest
+
 from openmc import Material, Materials
+from openmc.deplete import IndependentOperator, MicroXS
 
 CHAIN_PATH = Path(__file__).parents[1] / "chain_simple.xml"
 ONE_GROUP_XS = Path(__file__).parents[1] / "micro_xs_simple.csv"
@@ -36,3 +38,17 @@ def test_operator_init():
     fluxes = [1.0]
     micros = [micro_xs]
     IndependentOperator(materials, fluxes, micros, CHAIN_PATH)
+
+
+def test_error_handling():
+    micro_xs = MicroXS.from_csv(ONE_GROUP_XS)
+    fuel = Material(name="oxygen")
+    fuel.add_element("O", 2)
+    fuel.set_density("g/cc", 1)
+    fuel.depletable = True
+    fuel.volume = 1
+    materials = Materials([fuel])
+    fluxes = [1.0, 2.0]
+    micros = [micro_xs]
+    with pytest.raises(ValueError, match=r"The length of fluxes \(2\)"):
+        IndependentOperator(materials, fluxes, micros, CHAIN_PATH)

From 85c963e223d7cf376ef5b888ce1225b241a635b5 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 13 Dec 2023 08:11:32 -0600
Subject: [PATCH 2003/2654] Move 'import lxml' to third-party block of imports
 (#2803)

---
 openmc/cell.py                           | 2 +-
 openmc/data/library.py                   | 2 +-
 openmc/deplete/nuclide.py                | 2 +-
 openmc/element.py                        | 1 +
 openmc/filter.py                         | 2 +-
 openmc/filter_expansion.py               | 1 +
 openmc/lattice.py                        | 2 +-
 openmc/material.py                       | 2 +-
 openmc/model/model.py                    | 2 +-
 openmc/plots.py                          | 2 +-
 openmc/settings.py                       | 3 +--
 openmc/source.py                         | 2 +-
 openmc/surface.py                        | 2 +-
 openmc/tally_derivative.py               | 1 +
 openmc/trigger.py                        | 1 +
 openmc/universe.py                       | 6 +-----
 openmc/volume.py                         | 4 ++--
 openmc/weight_windows.py                 | 1 -
 tests/unit_tests/test_cell.py            | 2 --
 tests/unit_tests/test_deplete_nuclide.py | 3 ++-
 tests/unit_tests/test_lattice.py         | 2 +-
 tests/unit_tests/test_universe.py        | 1 -
 22 files changed, 21 insertions(+), 25 deletions(-)

diff --git a/openmc/cell.py b/openmc/cell.py
index 956d727d7..0af6ea2b4 100644
--- a/openmc/cell.py
+++ b/openmc/cell.py
@@ -1,8 +1,8 @@
 from collections.abc import Iterable
 from math import cos, sin, pi
 from numbers import Real
-import lxml.etree as ET
 
+import lxml.etree as ET
 import numpy as np
 from uncertainties import UFloat
 
diff --git a/openmc/data/library.py b/openmc/data/library.py
index 397be3faf..de9de2744 100644
--- a/openmc/data/library.py
+++ b/openmc/data/library.py
@@ -1,8 +1,8 @@
 import os
-import lxml.etree as ET
 import pathlib
 
 import h5py
+import lxml.etree as ET
 
 import openmc
 from openmc._xml import clean_indentation, reorder_attributes
diff --git a/openmc/deplete/nuclide.py b/openmc/deplete/nuclide.py
index e2067a8e3..d055c2e37 100644
--- a/openmc/deplete/nuclide.py
+++ b/openmc/deplete/nuclide.py
@@ -8,8 +8,8 @@ from collections.abc import Mapping
 from collections import namedtuple, defaultdict
 from warnings import warn
 from numbers import Real
-import lxml.etree as ET
 
+import lxml.etree as ET
 import numpy as np
 
 from openmc.checkvalue import check_type
diff --git a/openmc/element.py b/openmc/element.py
index 01651bebb..f9cf102f7 100644
--- a/openmc/element.py
+++ b/openmc/element.py
@@ -1,4 +1,5 @@
 import re
+
 import lxml.etree as ET
 
 import openmc.checkvalue as cv
diff --git a/openmc/filter.py b/openmc/filter.py
index 8eb81432f..f2bbf2f50 100644
--- a/openmc/filter.py
+++ b/openmc/filter.py
@@ -3,9 +3,9 @@ from collections.abc import Iterable
 import hashlib
 from itertools import product
 from numbers import Real, Integral
-import lxml.etree as ET
 import warnings
 
+import lxml.etree as ET
 import numpy as np
 import pandas as pd
 
diff --git a/openmc/filter_expansion.py b/openmc/filter_expansion.py
index f05f39fe9..b9860846f 100644
--- a/openmc/filter_expansion.py
+++ b/openmc/filter_expansion.py
@@ -1,4 +1,5 @@
 from numbers import Integral, Real
+
 import lxml.etree as ET
 
 import openmc.checkvalue as cv
diff --git a/openmc/lattice.py b/openmc/lattice.py
index 926a016ef..d281f6e76 100644
--- a/openmc/lattice.py
+++ b/openmc/lattice.py
@@ -4,8 +4,8 @@ from copy import deepcopy
 from math import sqrt, floor
 from numbers import Real
 import types
-import lxml.etree as ET
 
+import lxml.etree as ET
 import numpy as np
 
 import openmc
diff --git a/openmc/material.py b/openmc/material.py
index 6b71f56a8..1f5496f15 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -8,8 +8,8 @@ import re
 import typing  # imported separately as py3.8 requires typing.Iterable
 import warnings
 from typing import Optional, List, Union, Dict
-import lxml.etree as ET
 
+import lxml.etree as ET
 import numpy as np
 import h5py
 
diff --git a/openmc/model/model.py b/openmc/model/model.py
index 9da834e13..a60960b2b 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -7,10 +7,10 @@ from pathlib import Path
 from numbers import Integral
 from tempfile import NamedTemporaryFile
 import warnings
-import lxml.etree as ET
 from typing import Optional, Dict
 
 import h5py
+import lxml.etree as ET
 
 import openmc
 import openmc._xml as xml
diff --git a/openmc/plots.py b/openmc/plots.py
index 626056d79..b38b51a59 100644
--- a/openmc/plots.py
+++ b/openmc/plots.py
@@ -1,10 +1,10 @@
 from collections.abc import Iterable, Mapping
 from numbers import Integral, Real
 from pathlib import Path
-import lxml.etree as ET
 from typing import Optional
 
 import h5py
+import lxml.etree as ET
 import numpy as np
 
 import openmc
diff --git a/openmc/settings.py b/openmc/settings.py
index 5d0800ac1..b4e615a2a 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -1,4 +1,3 @@
-import os
 from collections.abc import Iterable, Mapping, MutableSequence
 from enum import Enum
 import itertools
@@ -7,11 +6,11 @@ from numbers import Integral, Real
 from pathlib import Path
 import typing  # required to prevent typing.Union namespace overwriting Union
 from typing import Optional
+
 import lxml.etree as ET
 
 import openmc.checkvalue as cv
 from openmc.stats.multivariate import MeshSpatial
-
 from . import (RegularMesh, SourceBase, MeshSource, IndependentSource,
                VolumeCalculation, WeightWindows, WeightWindowGenerator)
 from ._xml import clean_indentation, get_text, reorder_attributes
diff --git a/openmc/source.py b/openmc/source.py
index c339d6ed8..1ba90c921 100644
--- a/openmc/source.py
+++ b/openmc/source.py
@@ -7,8 +7,8 @@ import warnings
 import typing  # imported separately as py3.8 requires typing.Iterable
 # also required to prevent typing.Union namespace overwriting Union
 from typing import Optional, Sequence
-import lxml.etree as ET
 
+import lxml.etree as ET
 import numpy as np
 import h5py
 
diff --git a/openmc/surface.py b/openmc/surface.py
index a684f83fe..a16b6712d 100644
--- a/openmc/surface.py
+++ b/openmc/surface.py
@@ -3,9 +3,9 @@ from collections.abc import Iterable
 from copy import deepcopy
 import math
 from numbers import Real
-import lxml.etree as ET
 from warnings import warn, catch_warnings, simplefilter
 
+import lxml.etree as ET
 import numpy as np
 
 from .checkvalue import check_type, check_value, check_length, check_greater_than
diff --git a/openmc/tally_derivative.py b/openmc/tally_derivative.py
index 779ca619f..ff918c1b3 100644
--- a/openmc/tally_derivative.py
+++ b/openmc/tally_derivative.py
@@ -1,4 +1,5 @@
 from numbers import Integral
+
 import lxml.etree as ET
 
 import openmc.checkvalue as cv
diff --git a/openmc/trigger.py b/openmc/trigger.py
index 8a165526c..c7d9e9240 100644
--- a/openmc/trigger.py
+++ b/openmc/trigger.py
@@ -1,5 +1,6 @@
 from collections.abc import Iterable
 from numbers import Real
+
 import lxml.etree as ET
 
 import openmc.checkvalue as cv
diff --git a/openmc/universe.py b/openmc/universe.py
index bc122b03d..2e86ab05a 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -1,24 +1,20 @@
 import math
-import typing
 from abc import ABC, abstractmethod
 from collections.abc import Iterable
-from copy import deepcopy
 from numbers import Integral, Real
 from pathlib import Path
 from tempfile import TemporaryDirectory
-import lxml.etree as ET
 import warnings
 
 import h5py
+import lxml.etree as ET
 import numpy as np
 
 import openmc
 import openmc.checkvalue as cv
-
 from ._xml import get_text
 from .checkvalue import check_type, check_value
 from .mixin import IDManagerMixin
-from .plots import _SVG_COLORS
 from .surface import _BOUNDARY_TYPES
 
 
diff --git a/openmc/volume.py b/openmc/volume.py
index 90882267d..df19def1e 100644
--- a/openmc/volume.py
+++ b/openmc/volume.py
@@ -1,11 +1,11 @@
 from collections.abc import Iterable, Mapping
 from numbers import Real, Integral
-import lxml.etree as ET
 import warnings
 
+import h5py
+import lxml.etree as ET
 import numpy as np
 import pandas as pd
-import h5py
 from uncertainties import ufloat
 
 import openmc
diff --git a/openmc/weight_windows.py b/openmc/weight_windows.py
index 2b545a976..f59364389 100644
--- a/openmc/weight_windows.py
+++ b/openmc/weight_windows.py
@@ -12,7 +12,6 @@ from openmc.filter import _PARTICLES
 from openmc.mesh import MeshBase, RectilinearMesh, CylindricalMesh, SphericalMesh, UnstructuredMesh
 import openmc.checkvalue as cv
 from openmc.checkvalue import PathLike
-
 from ._xml import get_text, clean_indentation
 from .mixin import IDManagerMixin
 
diff --git a/tests/unit_tests/test_cell.py b/tests/unit_tests/test_cell.py
index 888a0ef88..95c8249bb 100644
--- a/tests/unit_tests/test_cell.py
+++ b/tests/unit_tests/test_cell.py
@@ -1,11 +1,9 @@
 import lxml.etree as ET
-
 import numpy as np
 from uncertainties import ufloat
 import openmc
 import pytest
 
-
 from tests.unit_tests import assert_unbounded
 from openmc.data import atomic_mass, AVOGADRO
 
diff --git a/tests/unit_tests/test_deplete_nuclide.py b/tests/unit_tests/test_deplete_nuclide.py
index 07db57bd6..6482d76a5 100644
--- a/tests/unit_tests/test_deplete_nuclide.py
+++ b/tests/unit_tests/test_deplete_nuclide.py
@@ -1,7 +1,8 @@
 """Tests for the openmc.deplete.Nuclide class."""
 
-import lxml.etree as ET
 import copy
+
+import lxml.etree as ET
 import numpy as np
 import pytest
 from openmc.deplete import nuclide
diff --git a/tests/unit_tests/test_lattice.py b/tests/unit_tests/test_lattice.py
index 97cd89843..6fa32760e 100644
--- a/tests/unit_tests/test_lattice.py
+++ b/tests/unit_tests/test_lattice.py
@@ -1,6 +1,6 @@
 from math import sqrt
-import lxml.etree as ET
 
+import lxml.etree as ET
 import openmc
 import pytest
 
diff --git a/tests/unit_tests/test_universe.py b/tests/unit_tests/test_universe.py
index 630e66df3..46d4ec3f7 100644
--- a/tests/unit_tests/test_universe.py
+++ b/tests/unit_tests/test_universe.py
@@ -1,5 +1,4 @@
 import lxml.etree as ET
-
 import numpy as np
 import openmc
 import pytest

From 3efd24289ddf02746e5aa3154fe922bdf440df38 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 13 Dec 2023 08:41:51 -0600
Subject: [PATCH 2004/2654] Fix creation of meshes when from loading settings
 from XML (#2805)

---
 openmc/mesh.py               |  2 +-
 openmc/settings.py           | 35 +++++++++++++++--------------------
 openmc/stats/multivariate.py |  2 +-
 openmc/weight_windows.py     | 13 ++++++-------
 4 files changed, 23 insertions(+), 29 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 560d54042..f3cd69a8f 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -2316,7 +2316,7 @@ def _read_meshes(elem):
         A dictionary with mesh IDs as keys and openmc.MeshBase
         instanaces as values
     """
-    out = dict()
+    out = {}
     for mesh_elem in elem.findall('mesh'):
         mesh = MeshBase.from_xml_element(mesh_elem)
         out[mesh.id] = mesh
diff --git a/openmc/settings.py b/openmc/settings.py
index b4e615a2a..6486d1f2a 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -1603,15 +1603,14 @@ class Settings:
                 if value is not None:
                     self.cutoff[key] = float(value)
 
-    def _entropy_mesh_from_xml_element(self, root, meshes=None):
+    def _entropy_mesh_from_xml_element(self, root, meshes):
         text = get_text(root, 'entropy_mesh')
-        if text is not None:
-            path = f"./mesh[@id='{int(text)}']"
-            elem = root.find(path)
-            if elem is not None:
-                self.entropy_mesh = RegularMesh.from_xml_element(elem)
-        if meshes is not None and self.entropy_mesh is not None:
-            meshes[self.entropy_mesh.id] = self.entropy_mesh
+        if text is None:
+            return
+        mesh_id = int(text)
+        if mesh_id not in meshes:
+            raise ValueError(f'Could not locate mesh with ID "{mesh_id}"')
+        self.entropy_mesh = meshes[mesh_id]
 
     def _trigger_from_xml_element(self, root):
         elem = root.find('trigger')
@@ -1671,15 +1670,14 @@ class Settings:
             values = [int(x) for x in text.split()]
             self.track = list(zip(values[::3], values[1::3], values[2::3]))
 
-    def _ufs_mesh_from_xml_element(self, root, meshes=None):
+    def _ufs_mesh_from_xml_element(self, root, meshes):
         text = get_text(root, 'ufs_mesh')
-        if text is not None:
-            path = f"./mesh[@id='{int(text)}']"
-            elem = root.find(path)
-            if elem is not None:
-                self.ufs_mesh = RegularMesh.from_xml_element(elem)
-        if meshes is not None and self.ufs_mesh is not None:
-            meshes[self.ufs_mesh.id] = self.ufs_mesh
+        if text is None:
+            return
+        mesh_id = int(text)
+        if mesh_id not in meshes:
+            raise ValueError(f'Could not locate mesh with ID "{mesh_id}"')
+        self.ufs_mesh = meshes[mesh_id]
 
     def _resonance_scattering_from_xml_element(self, root):
         elem = root.find('resonance_scattering')
@@ -1743,16 +1741,13 @@ class Settings:
 
     def _weight_windows_from_xml_element(self, root, meshes=None):
         for elem in root.findall('weight_windows'):
-            ww = WeightWindows.from_xml_element(elem, root)
+            ww = WeightWindows.from_xml_element(elem, meshes)
             self.weight_windows.append(ww)
 
         text = get_text(root, 'weight_windows_on')
         if text is not None:
             self.weight_windows_on = text in ('true', '1')
 
-        if meshes is not None and self.weight_windows:
-            meshes.update({ww.mesh.id: ww.mesh for ww in self.weight_windows})
-
     def _weight_window_checkpoints_from_xml_element(self, root):
         elem = root.find('weight_window_checkpoints')
         if elem is None:
diff --git a/openmc/stats/multivariate.py b/openmc/stats/multivariate.py
index 22c3d7ea8..3922d601a 100644
--- a/openmc/stats/multivariate.py
+++ b/openmc/stats/multivariate.py
@@ -744,7 +744,7 @@ class MeshSpatial(Spatial):
 
         # check if this mesh has been read in from another location already
         if mesh_id not in meshes:
-            raise RuntimeError(f'Could not locate mesh with ID "{mesh_id}"')
+            raise ValueError(f'Could not locate mesh with ID "{mesh_id}"')
 
         volume_normalized = elem.get("volume_normalized")
         volume_normalized = get_text(elem, 'volume_normalized').lower() == 'true'
diff --git a/openmc/weight_windows.py b/openmc/weight_windows.py
index f59364389..96f1db892 100644
--- a/openmc/weight_windows.py
+++ b/openmc/weight_windows.py
@@ -353,15 +353,15 @@ class WeightWindows(IDManagerMixin):
         return element
 
     @classmethod
-    def from_xml_element(cls, elem: ET.Element, root: ET.Element) -> WeightWindows:
+    def from_xml_element(cls, elem: ET.Element, meshes: Dict[int, MeshBase]) -> WeightWindows:
         """Generate weight window settings from an XML element
 
         Parameters
         ----------
         elem : lxml.etree._Element
             XML element
-        root : lxml.etree._Element
-            Root element for the file where meshes can be found
+        meshes : dict
+            Dictionary mapping IDs to mesh objects
 
         Returns
         -------
@@ -370,10 +370,9 @@ class WeightWindows(IDManagerMixin):
         """
         # Get mesh for weight windows
         mesh_id = int(get_text(elem, 'mesh'))
-        path = f"./mesh[@id='{mesh_id}']"
-        mesh_elem = root.find(path)
-        if mesh_elem is not None:
-            mesh = MeshBase.from_xml_element(mesh_elem)
+        if mesh_id not in meshes:
+            raise ValueError(f'Could not locate mesh with ID "{mesh_id}"')
+        mesh = meshes[mesh_id]
 
         # Read all other parameters
         lower_ww_bounds = [float(l) for l in get_text(elem, 'lower_ww_bounds').split()]

From fb65dfd53cf8de6a360e23234bcc77f6a1d1f3c2 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 14 Dec 2023 10:49:59 -0600
Subject: [PATCH 2005/2654] Avoid high memory use when writing unstructured
 mesh VTK files (#2806)

---
 openmc/mesh.py | 7 ++-----
 1 file changed, 2 insertions(+), 5 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index f3cd69a8f..435a44d2c 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -2181,7 +2181,6 @@ class UnstructuredMesh(MeshBase):
         grid.SetPoints(vtk_pnts)
 
         n_skipped = 0
-        elems = []
         for elem_type, conn in zip(self.element_types, self.connectivity):
             if elem_type == self._LINEAR_TET:
                 elem = vtk.vtkTetra()
@@ -2195,15 +2194,13 @@ class UnstructuredMesh(MeshBase):
                 if c == -1:
                     break
                 elem.GetPointIds().SetId(i, c)
-            elems.append(elem)
+
+            grid.InsertNextCell(elem.GetCellType(), elem.GetPointIds())
 
         if n_skipped > 0:
             warnings.warn(f'{n_skipped} elements were not written because '
                           'they are not of type linear tet/hex')
 
-        for elem in elems:
-            grid.InsertNextCell(elem.GetCellType(), elem.GetPointIds())
-
         # check that datasets are the correct size
         datasets_out = []
         if datasets is not None:

From 53363da3ccb7af3c46820fa17558ed0d040d0c6a Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Mon, 18 Dec 2023 21:31:29 -0600
Subject: [PATCH 2006/2654] Consolidating number of threads and thread number
 queries into the openmp interface header (#2809)

---
 include/openmc/openmp_interface.h | 21 +++++++++++++++++++++
 src/initialize.cpp                |  9 ++-------
 src/mesh.cpp                      | 21 ++++-----------------
 src/plot.cpp                      | 17 ++++-------------
 src/volume_calc.cpp               | 13 +++----------
 5 files changed, 34 insertions(+), 47 deletions(-)

diff --git a/include/openmc/openmp_interface.h b/include/openmc/openmp_interface.h
index b489df0c9..fe517415b 100644
--- a/include/openmc/openmp_interface.h
+++ b/include/openmc/openmp_interface.h
@@ -7,6 +7,27 @@
 
 namespace openmc {
 
+//==============================================================================
+//! Accessor functions related to number of threads and thread number
+//==============================================================================
+inline int num_threads()
+{
+#ifdef _OPENMP
+  return omp_get_max_threads();
+#else
+  return 1;
+#endif
+}
+
+inline int thread_num()
+{
+#ifdef _OPENMP
+  return omp_get_thread_num();
+#else
+  return 0;
+#endif
+}
+
 //==============================================================================
 //! An object used to prevent concurrent access to a piece of data.
 //
diff --git a/src/initialize.cpp b/src/initialize.cpp
index cafcd5828..9e3c88603 100644
--- a/src/initialize.cpp
+++ b/src/initialize.cpp
@@ -23,6 +23,7 @@
 #include "openmc/message_passing.h"
 #include "openmc/mgxs_interface.h"
 #include "openmc/nuclide.h"
+#include "openmc/openmp_interface.h"
 #include "openmc/output.h"
 #include "openmc/plot.h"
 #include "openmc/random_lcg.h"
@@ -63,13 +64,7 @@ int openmc_init(int argc, char* argv[], const void* intracomm)
     return err;
 
 #ifdef LIBMESH
-
-#ifdef _OPENMP
-  int n_threads = omp_get_max_threads();
-#else
-  int n_threads = 1;
-#endif
-
+  const int n_threads = num_threads();
   // initialize libMesh if it hasn't been initialized already
   // (if initialized externally, the libmesh_init object needs to be provided
   // also)
diff --git a/src/mesh.cpp b/src/mesh.cpp
index ea66552de..34510b614 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -8,9 +8,7 @@
 #ifdef OPENMC_MPI
 #include "mpi.h"
 #endif
-#ifdef _OPENMP
-#include <omp.h>
-#endif
+
 #include "xtensor/xbuilder.hpp"
 #include "xtensor/xeval.hpp"
 #include "xtensor/xmath.hpp"
@@ -27,6 +25,7 @@
 #include "openmc/hdf5_interface.h"
 #include "openmc/memory.h"
 #include "openmc/message_passing.h"
+#include "openmc/openmp_interface.h"
 #include "openmc/random_dist.h"
 #include "openmc/search.h"
 #include "openmc/settings.h"
@@ -2715,13 +2714,7 @@ void LibMesh::initialize()
   libMesh::ExplicitSystem& eq_sys =
     equation_systems_->add_system<libMesh::ExplicitSystem>(eq_system_name_);
 
-#ifdef _OPENMP
-  int n_threads = omp_get_max_threads();
-#else
-  int n_threads = 1;
-#endif
-
-  for (int i = 0; i < n_threads; i++) {
+  for (int i = 0; i < num_threads(); i++) {
     pl_.emplace_back(m_->sub_point_locator());
     pl_.back()->set_contains_point_tol(FP_COINCIDENT);
     pl_.back()->enable_out_of_mesh_mode();
@@ -2896,13 +2889,7 @@ int LibMesh::get_bin(Position r) const
     return -1;
   }
 
-#ifdef _OPENMP
-  int thread_num = omp_get_thread_num();
-#else
-  int thread_num = 0;
-#endif
-
-  const auto& point_locator = pl_.at(thread_num);
+  const auto& point_locator = pl_.at(thread_num());
 
   const auto elem_ptr = (*point_locator)(p);
   return elem_ptr ? get_bin_from_element(elem_ptr) : -1;
diff --git a/src/plot.cpp b/src/plot.cpp
index e2f07c47c..8d995b0a9 100644
--- a/src/plot.cpp
+++ b/src/plot.cpp
@@ -23,6 +23,7 @@
 #include "openmc/material.h"
 #include "openmc/mesh.h"
 #include "openmc/message_passing.h"
+#include "openmc/openmp_interface.h"
 #include "openmc/output.h"
 #include "openmc/particle.h"
 #include "openmc/progress_bar.h"
@@ -1218,11 +1219,7 @@ void ProjectionPlot::create_output() const
    * Note that a vector of vectors is required rather than a 2-tensor,
    * since the stack size varies within each column.
    */
-#ifdef _OPENMP
-  const int n_threads = omp_get_max_threads();
-#else
-  const int n_threads = 1;
-#endif
+  const int n_threads = num_threads();
   std::vector<std::vector<std::vector<TrackSegment>>> this_line_segments(
     n_threads);
   for (int t = 0; t < n_threads; ++t) {
@@ -1234,14 +1231,8 @@ void ProjectionPlot::create_output() const
 
 #pragma omp parallel
   {
-
-#ifdef _OPENMP
-    const int n_threads = omp_get_max_threads();
-    const int tid = omp_get_thread_num();
-#else
-    int n_threads = 1;
-    int tid = 0;
-#endif
+    const int n_threads = num_threads();
+    const int tid = thread_num();
 
     SourceSite s; // Where particle starts from (camera)
     s.E = 1;
diff --git a/src/volume_calc.cpp b/src/volume_calc.cpp
index 8cd697a9d..859a0d5ac 100644
--- a/src/volume_calc.cpp
+++ b/src/volume_calc.cpp
@@ -10,18 +10,16 @@
 #include "openmc/message_passing.h"
 #include "openmc/mgxs_interface.h"
 #include "openmc/nuclide.h"
+#include "openmc/openmp_interface.h"
 #include "openmc/output.h"
 #include "openmc/random_lcg.h"
 #include "openmc/settings.h"
 #include "openmc/timer.h"
 #include "openmc/xml_interface.h"
 
-#include <fmt/core.h>
-#ifdef _OPENMP
-#include <omp.h>
-#endif
 #include "xtensor/xadapt.hpp"
 #include "xtensor/xview.hpp"
+#include <fmt/core.h>
 
 #include <algorithm> // for copy
 #include <cmath>     // for pow, sqrt
@@ -205,12 +203,7 @@ vector<VolumeCalculation::Result> VolumeCalculation::execute() const
       // At this point, each thread has its own pair of index/hits lists and we
       // now need to reduce them. OpenMP is not nearly smart enough to do this
       // on its own, so we have to manually reduce them
-
-#ifdef _OPENMP
-      int n_threads = omp_get_num_threads();
-#else
-      int n_threads = 1;
-#endif
+      const int n_threads = num_threads();
 
 #pragma omp for ordered schedule(static)
       for (int i = 0; i < n_threads; ++i) {

From f5900293fa9debff910301e1ac9304ab9aea4b3a Mon Sep 17 00:00:00 2001
From: Jin Whan Bae <jbae11@illinois.edu>
Date: Thu, 21 Dec 2023 22:21:14 -0500
Subject: [PATCH 2007/2654] microxs from mg flux and chain file (#2755)

Co-authored-by: Jin Whan Bae <baej@ornl.gov>
Co-authored-by: shimwell <mail@jshimwell.com>
Co-authored-by: Jonathan Shimwell <drshimwell@gmail.com>
Co-authored-by: Olek <45364492+yardasol@users.noreply.github.com>
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/deplete/abc.py                    |   3 +-
 openmc/deplete/coupled_operator.py       |  14 ++-
 openmc/deplete/microxs.py                | 148 +++++++++++++++++++++--
 openmc/lib/nuclide.py                    |   2 +-
 tests/unit_tests/test_deplete_microxs.py |  51 ++++++++
 5 files changed, 198 insertions(+), 20 deletions(-)

diff --git a/openmc/deplete/abc.py b/openmc/deplete/abc.py
index dd4df21fb..60774871c 100644
--- a/openmc/deplete/abc.py
+++ b/openmc/deplete/abc.py
@@ -68,8 +68,9 @@ def change_directory(output_dir):
         Directory to switch to.
     """
     orig_dir  = os.getcwd()
+    output_dir = Path(output_dir)
+    output_dir.mkdir(parents=True, exist_ok=True)
     try:
-        output_dir.mkdir(parents=True, exist_ok=True)
         os.chdir(output_dir)
         yield
     finally:
diff --git a/openmc/deplete/coupled_operator.py b/openmc/deplete/coupled_operator.py
index 0d778c745..287a4e0d3 100644
--- a/openmc/deplete/coupled_operator.py
+++ b/openmc/deplete/coupled_operator.py
@@ -10,6 +10,7 @@ filesystem.
 
 import copy
 from warnings import warn
+from typing import Optional
 
 import numpy as np
 from uncertainties import ufloat
@@ -33,18 +34,19 @@ from .helpers import (
 __all__ = ["CoupledOperator", "Operator", "OperatorResult"]
 
 
-def _find_cross_sections(model):
+def _find_cross_sections(model: Optional[str] = None):
     """Determine cross sections to use for depletion
 
     Parameters
     ----------
-    model : openmc.model.Model
+    model : openmc.model.Model, optional
         Reactor model
 
     """
-    if model.materials and model.materials.cross_sections is not None:
-        # Prefer info from Model class if available
-        return model.materials.cross_sections
+    if model:
+        if model.materials and model.materials.cross_sections is not None:
+            # Prefer info from Model class if available
+            return model.materials.cross_sections
 
     # otherwise fallback to environment variable
     cross_sections = openmc.config.get("cross_sections")
@@ -67,7 +69,7 @@ def _get_nuclides_with_data(cross_sections):
     Returns
     -------
     nuclides : set of str
-        Set of nuclide names that have cross secton data
+        Set of nuclide names that have cross section data
 
     """
     nuclides = set()
diff --git a/openmc/deplete/microxs.py b/openmc/deplete/microxs.py
index e145bce87..0721535ca 100644
--- a/openmc/deplete/microxs.py
+++ b/openmc/deplete/microxs.py
@@ -5,8 +5,8 @@ IndependentOperator class for depletion.
 """
 
 from __future__ import annotations
-import tempfile
-from typing import List, Tuple, Iterable, Optional, Union
+from tempfile import TemporaryDirectory
+from typing import List, Tuple, Iterable, Optional, Union, Sequence
 
 import pandas as pd
 import numpy as np
@@ -14,14 +14,30 @@ import numpy as np
 from openmc.checkvalue import check_type, check_value, check_iterable_type, PathLike
 from openmc.exceptions import DataError
 from openmc import StatePoint
+from openmc.mgxs import GROUP_STRUCTURES
+from openmc.data import REACTION_MT
 import openmc
+from .abc import change_directory
 from .chain import Chain, REACTIONS
 from .coupled_operator import _find_cross_sections, _get_nuclides_with_data
+import openmc.lib
 
 _valid_rxns = list(REACTIONS)
 _valid_rxns.append('fission')
 
 
+def _resolve_chain_file_path(chain_file: str):
+    # Determine what reactions and nuclides are available in chain
+    if chain_file is None:
+        chain_file = openmc.config.get('chain_file')
+        if 'chain_file' in openmc.config:
+            raise DataError(
+                "No depletion chain specified and could not find depletion "
+                "chain in openmc.config['chain_file']"
+            )
+    return chain_file
+
+
 def get_microxs_and_flux(
         model: openmc.Model,
         domains,
@@ -69,13 +85,7 @@ def get_microxs_and_flux(
     original_tallies = model.tallies
 
     # Determine what reactions and nuclides are available in chain
-    if chain_file is None:
-        chain_file = openmc.config.get('chain_file')
-        if chain_file is None:
-            raise DataError(
-                "No depletion chain specified and could not find depletion "
-                "chain in openmc.config['chain_file']"
-            )
+    chain_file = _resolve_chain_file_path(chain_file)
     chain = Chain.from_xml(chain_file)
     if reactions is None:
         reactions = chain.reactions
@@ -115,7 +125,7 @@ def get_microxs_and_flux(
     model.tallies = openmc.Tallies([rr_tally, flux_tally])
 
     # create temporary run
-    with tempfile.TemporaryDirectory() as temp_dir:
+    with TemporaryDirectory() as temp_dir:
         if run_kwargs is None:
             run_kwargs = {}
         else:
@@ -192,8 +202,122 @@ class MicroXS:
         self._index_nuc = {nuc: i for i, nuc in enumerate(nuclides)}
         self._index_rx = {rx: i for i, rx in enumerate(reactions)}
 
-    # TODO: Add a classmethod for generating MicroXS directly from cross section
-    # data using a known flux spectrum
+    @classmethod
+    def from_multigroup_flux(
+        cls,
+        energies: Union[Sequence[float], str],
+        multigroup_flux: Sequence[float],
+        chain_file: Optional[PathLike] = None,
+        temperature: float = 293.6,
+        nuclides: Optional[Sequence[str]] = None,
+        reactions: Optional[Sequence[str]] = None,
+        **init_kwargs: dict,
+    ) -> MicroXS:
+        """Generated microscopic cross sections from a known flux.
+
+        The size of the MicroXS matrix depends on the chain file and cross
+        sections available. MicroXS entry will be 0 if the nuclide cross section
+        is not found.
+
+        .. versionadded:: 0.14.1
+
+        Parameters
+        ----------
+        energies : iterable of float or str
+            Energy group boundaries in [eV] or the name of the group structure
+        multi_group_flux : iterable of float
+            Energy-dependent multigroup flux values
+        chain_file : str, optional
+            Path to the depletion chain XML file that will be used in depletion
+            simulation.  Defaults to ``openmc.config['chain_file']``.
+        temperature : int, optional
+            Temperature for cross section evaluation in [K].
+        nuclides : list of str, optional
+            Nuclides to get cross sections for. If not specified, all burnable
+            nuclides from the depletion chain file are used.
+        reactions : list of str, optional
+            Reactions to get cross sections for. If not specified, all neutron
+            reactions listed in the depletion chain file are used.
+        **init_kwargs : dict
+            Keyword arguments passed to :func:`openmc.lib.init`
+
+        Returns
+        -------
+        MicroXS
+        """
+
+        check_type("temperature", temperature, (int, float))
+        # if energy is string then use group structure of that name
+        if isinstance(energies, str):
+            energies = GROUP_STRUCTURES[energies]
+        else:
+            # if user inputs energies check they are ascending (low to high) as
+            # some depletion codes use high energy to low energy.
+            if not np.all(np.diff(energies) > 0):
+                raise ValueError('Energy group boundaries must be in ascending order')
+
+        # check dimension consistency
+        if len(multigroup_flux) != len(energies) - 1:
+            raise ValueError('Length of flux array should be len(energies)-1')
+
+        chain_file_path = _resolve_chain_file_path(chain_file)
+        chain = Chain.from_xml(chain_file_path)
+
+        cross_sections = _find_cross_sections(model=None)
+        nuclides_with_data = _get_nuclides_with_data(cross_sections)
+
+        # If no nuclides were specified, default to all nuclides from the chain
+        if not nuclides:
+            nuclides = chain.nuclides
+            nuclides = [nuc.name for nuc in nuclides]
+
+        # Get reaction MT values. If no reactions specified, default to the
+        # reactions available in the chain file
+        if reactions is None:
+            reactions = chain.reactions
+        mts = [REACTION_MT[name] for name in reactions]
+
+        # Normalize multigroup flux
+        multigroup_flux = np.asarray(multigroup_flux)
+        multigroup_flux /= multigroup_flux.sum()
+
+        # Create 2D array for microscopic cross sections
+        microxs_arr = np.zeros((len(nuclides), len(mts)))
+
+        with TemporaryDirectory() as tmpdir:
+            # Create a material with all nuclides
+            mat_all_nucs = openmc.Material()
+            for nuc in nuclides:
+                if nuc in nuclides_with_data:
+                    mat_all_nucs.add_nuclide(nuc, 1.0)
+            mat_all_nucs.set_density("atom/b-cm", 1.0)
+
+            # Create simple model containing the above material
+            surf1 = openmc.Sphere(boundary_type="vacuum")
+            surf1_cell = openmc.Cell(fill=mat_all_nucs, region=-surf1)
+            model = openmc.Model()
+            model.geometry = openmc.Geometry([surf1_cell])
+            model.settings = openmc.Settings(
+                particles=1, batches=1, output={'summary': False})
+
+            with change_directory(tmpdir):
+                # Export model within temporary directory
+                model.export_to_model_xml()
+
+                with openmc.lib.run_in_memory(**init_kwargs):
+                    # For each nuclide and reaction, compute the flux-averaged
+                    # cross section
+                    for nuc_index, nuc in enumerate(nuclides):
+                        if nuc not in nuclides_with_data:
+                            continue
+                        lib_nuc = openmc.lib.nuclides[nuc]
+                        for mt_index, mt in enumerate(mts):
+                            xs = lib_nuc.collapse_rate(
+                                mt, temperature, energies, multigroup_flux
+                            )
+                            microxs_arr[nuc_index, mt_index] = xs
+
+        return cls(microxs_arr, nuclides, reactions)
 
     @classmethod
     def from_csv(cls, csv_file, **kwargs):
diff --git a/openmc/lib/nuclide.py b/openmc/lib/nuclide.py
index 399bb3465..8078882cf 100644
--- a/openmc/lib/nuclide.py
+++ b/openmc/lib/nuclide.py
@@ -91,7 +91,7 @@ class Nuclide(_FortranObject):
         energy : iterable of float
             Energy group boundaries in [eV]
         flux : iterable of float
-            Flux in each energt group (not normalized per eV)
+            Flux in each energy group (not normalized per eV)
 
         Returns
         -------
diff --git a/tests/unit_tests/test_deplete_microxs.py b/tests/unit_tests/test_deplete_microxs.py
index 582c58465..ad54026f0 100644
--- a/tests/unit_tests/test_deplete_microxs.py
+++ b/tests/unit_tests/test_deplete_microxs.py
@@ -51,6 +51,7 @@ def test_from_array():
                        r'match dimensions of data array of shape \(\d*\, \d*\)'):
         MicroXS(data[:, 0], nuclides, reactions)
 
+
 def test_csv():
     ref_xs = MicroXS.from_csv(ONE_GROUP_XS)
     ref_xs.to_csv('temp_xs.csv')
@@ -58,3 +59,53 @@ def test_csv():
     assert np.all(ref_xs.data == temp_xs.data)
     remove('temp_xs.csv')
 
+
+def test_from_multigroup_flux():
+    energies = [0., 6.25e-1, 5.53e3, 8.21e5, 2.e7]
+    flux = [1.1e-7, 1.2e-6, 1.3e-5, 1.4e-4]
+    chain_file = Path(__file__).parents[1] / 'chain_simple.xml'
+    kwargs = {'multigroup_flux': flux, 'chain_file': chain_file}
+
+    # test with energy group structure from string
+    microxs = MicroXS.from_multigroup_flux(energies='CASMO-4', **kwargs)
+    assert isinstance(microxs, MicroXS)
+
+    # test with energy group structure as floats
+    microxs = MicroXS.from_multigroup_flux(energies=energies, **kwargs)
+    assert isinstance(microxs, MicroXS)
+
+    # test with nuclides provided
+    microxs = MicroXS.from_multigroup_flux(
+        energies=energies, nuclides=['Gd157', 'H1'], **kwargs
+    )
+    assert isinstance(microxs, MicroXS)
+    assert microxs.nuclides == ['Gd157', 'H1']
+
+    # test with reactions provided
+    microxs = MicroXS.from_multigroup_flux(
+        energies=energies, reactions=['fission', '(n,2n)'], **kwargs
+    )
+    assert isinstance(microxs, MicroXS)
+    assert microxs.reactions == ['fission', '(n,2n)']
+
+
+def test_multigroup_flux_same():
+    chain_file = Path(__file__).parents[1] / 'chain_simple.xml'
+
+    # Generate micro XS based on 4-group flux
+    energies = [0., 6.25e-1, 5.53e3, 8.21e5, 2.e7]
+    flux_per_ev = [0.3, 0.3, 1.0, 1.0]
+    flux = flux_per_ev * np.diff(energies)
+    microxs_4g = MicroXS.from_multigroup_flux(
+        energies=energies, multigroup_flux=flux, chain_file=chain_file)
+
+    # Generate micro XS based on 2-group flux, where the boundaries line up with
+    # the 4 group flux and have the same flux per eV across the full energy
+    # range
+    energies = [0., 5.53e3, 2.0e7]
+    flux_per_ev = [0.3, 1.0]
+    flux = flux_per_ev * np.diff(energies)
+    microxs_2g = MicroXS.from_multigroup_flux(
+        energies=energies, multigroup_flux=flux, chain_file=chain_file)
+
+    assert microxs_4g.data == pytest.approx(microxs_2g.data)

From 411656668f4c3f35eb97046fcc309e619436e733 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Wed, 27 Dec 2023 08:44:48 -0600
Subject: [PATCH 2008/2654] Provide error message if a cell path can't be
 determined (#2812)

---
 src/geometry_aux.cpp | 9 +++++++++
 1 file changed, 9 insertions(+)

diff --git a/src/geometry_aux.cpp b/src/geometry_aux.cpp
index 98dfc12a7..b0e88e8e3 100644
--- a/src/geometry_aux.cpp
+++ b/src/geometry_aux.cpp
@@ -544,6 +544,15 @@ std::string distribcell_path_inner(int32_t target_cell, int32_t map,
     }
   }
 
+  // if we get through the loop without finding an appropriate entry, throw
+  // an error
+  if (cell_it == search_univ.cells_.crend()) {
+    fatal_error(
+      fmt::format("Failed to generate a text label for distribcell with ID {}."
+                  "The current label is: '{}'",
+        model::cells[target_cell]->id_, path.str()));
+  }
+
   // Add the cell to the path string.
   Cell& c = *model::cells[*cell_it];
   path << "c" << c.id_ << "->";

From 2e4811b26b94365c5927e4ec732effd308328008 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 28 Dec 2023 14:37:21 -0600
Subject: [PATCH 2009/2654] Ensure particle direction is normalized for
 plotting / volume calculations (#2816)

---
 include/openmc/plot.h | 3 ++-
 src/volume_calc.cpp   | 2 +-
 2 files changed, 3 insertions(+), 2 deletions(-)

diff --git a/include/openmc/plot.h b/include/openmc/plot.h
index 3e97e2544..ba82f43e2 100644
--- a/include/openmc/plot.h
+++ b/include/openmc/plot.h
@@ -1,6 +1,7 @@
 #ifndef OPENMC_PLOT_H
 #define OPENMC_PLOT_H
 
+#include <cmath>
 #include <sstream>
 #include <unordered_map>
 
@@ -200,7 +201,7 @@ T SlicePlotBase::get_map() const
   xyz[out_i] = origin_[out_i] + width_[1] / 2. - out_pixel / 2.;
 
   // arbitrary direction
-  Direction dir = {0.7071, 0.7071, 0.0};
+  Direction dir = {1. / std::sqrt(2.), 1. / std::sqrt(2.), 0.0};
 
 #pragma omp parallel
   {
diff --git a/src/volume_calc.cpp b/src/volume_calc.cpp
index 859a0d5ac..6a47e9490 100644
--- a/src/volume_calc.cpp
+++ b/src/volume_calc.cpp
@@ -159,7 +159,7 @@ vector<VolumeCalculation::Result> VolumeCalculation::execute() const
         p.n_coord() = 1;
         Position xi {prn(&seed), prn(&seed), prn(&seed)};
         p.r() = lower_left_ + xi * (upper_right_ - lower_left_);
-        p.u() = {0.5, 0.5, 0.5};
+        p.u() = {1. / std::sqrt(3.), 1. / std::sqrt(3.), 1. / std::sqrt(3.)};
 
         // If this location is not in the geometry at all, move on to next block
         if (!exhaustive_find_cell(p))

From b0926ea22c21c350b6d227bfcfb06953c43ee433 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 3 Jan 2024 08:25:33 -0600
Subject: [PATCH 2010/2654] Prevent underflow in calculation of speed (#2811)

---
 src/particle.cpp                              | 17 +++-
 .../mgxs_library_condense/results_true.dat    |  8 +-
 .../mgxs_library_distribcell/results_true.dat |  2 +-
 .../mgxs_library_hdf5/results_true.dat        |  4 +-
 .../mgxs_library_no_nuclides/results_true.dat |  4 +-
 .../mgxs_library_nuclides/results_true.dat    |  2 +-
 .../results_true.dat                          |  2 +-
 .../regression_tests/tallies/results_true.dat |  2 +-
 .../track_output/results_true.dat             | 88 +++++++++----------
 9 files changed, 69 insertions(+), 60 deletions(-)

diff --git a/src/particle.cpp b/src/particle.cpp
index e26e25e67..8992bc868 100644
--- a/src/particle.cpp
+++ b/src/particle.cpp
@@ -59,11 +59,20 @@ double Particle::speed() const
     break;
   }
 
-  // Calculate inverse of Lorentz factor
-  const double inv_gamma = mass / (this->E() + mass);
+  if (this->E() < 1.0e-9 * mass) {
+    // If the energy is much smaller than the mass, revert to non-relativistic
+    // formula. The 1e-9 criterion is specifically chosen as the point below
+    // which the error from using the non-relativistic formula is less than the
+    // round-off eror when using the relativistic formula (see analysis at
+    // https://gist.github.com/paulromano/da3b473fe3df33de94b265bdff0c7817)
+    return C_LIGHT * std::sqrt(2 * this->E() / mass);
+  } else {
+    // Calculate inverse of Lorentz factor
+    const double inv_gamma = mass / (this->E() + mass);
 
-  // Calculate speed via v = c * sqrt(1 - γ^-2)
-  return C_LIGHT * std::sqrt(1 - inv_gamma * inv_gamma);
+    // Calculate speed via v = c * sqrt(1 - γ^-2)
+    return C_LIGHT * std::sqrt(1 - inv_gamma * inv_gamma);
+  }
 }
 
 void Particle::move_distance(double length)
diff --git a/tests/regression_tests/mgxs_library_condense/results_true.dat b/tests/regression_tests/mgxs_library_condense/results_true.dat
index 0792d92da..ae5bff6e3 100644
--- a/tests/regression_tests/mgxs_library_condense/results_true.dat
+++ b/tests/regression_tests/mgxs_library_condense/results_true.dat
@@ -168,10 +168,10 @@
 3      2  2  1         1   total  1.0  0.130701
   mesh 1       group in nuclide          mean     std. dev.
        x  y  z                                             
-0      1  1  1        1   total  5.304284e-07  2.560239e-08
-2      1  2  1        1   total  4.940320e-07  2.410416e-08
-1      2  1  1        1   total  5.587366e-07  3.382787e-08
-3      2  2  1        1   total  5.232209e-07  2.482800e-08
+0      1  1  1        1   total  5.304285e-07  2.560239e-08
+2      1  2  1        1   total  4.940321e-07  2.410417e-08
+1      2  1  1        1   total  5.587365e-07  3.382787e-08
+3      2  2  1        1   total  5.232210e-07  2.482800e-08
   mesh 1       group in nuclide      mean std. dev.
        x  y  z                                     
 0      1  1  1        1   total  0.026032  0.001172
diff --git a/tests/regression_tests/mgxs_library_distribcell/results_true.dat b/tests/regression_tests/mgxs_library_distribcell/results_true.dat
index ad2aef475..ef7cb2b96 100644
--- a/tests/regression_tests/mgxs_library_distribcell/results_true.dat
+++ b/tests/regression_tests/mgxs_library_distribcell/results_true.dat
@@ -51,7 +51,7 @@
                                                                                                                                                                                                                                                                                                                                                                                                  sum(distribcell)  group out nuclide  mean  std. dev.
 0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)          1   total   1.0   0.084331
                                                                                                                                                                                                                                                                                                                                                                                                  sum(distribcell)  group in nuclide          mean     std. dev.
-0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1   total  5.253873e-07  2.168461e-08
+0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1   total  5.253873e-07  2.168462e-08
                                                                                                                                                                                                                                                                                                                                                                                                  sum(distribcell)  group in nuclide      mean  std. dev.
 0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1   total  0.094147   0.003701
                                                                                                                                                                                                                                                                                                                                                                                                  sum(distribcell)  group in  group out nuclide      mean  std. dev.
diff --git a/tests/regression_tests/mgxs_library_hdf5/results_true.dat b/tests/regression_tests/mgxs_library_hdf5/results_true.dat
index 28a352fdf..b2ef8eae9 100644
--- a/tests/regression_tests/mgxs_library_hdf5/results_true.dat
+++ b/tests/regression_tests/mgxs_library_hdf5/results_true.dat
@@ -97,8 +97,8 @@ domain=1 type=chi-prompt
 [1.00000000e+00 0.00000000e+00]
 [1.03333203e-01 0.00000000e+00]
 domain=1 type=inverse-velocity
-[5.72461488e-08 3.00999716e-06]
-[2.80644406e-09 1.80993425e-07]
+[5.72461488e-08 3.00999757e-06]
+[2.80644407e-09 1.80993426e-07]
 domain=1 type=prompt-nu-fission
 [5.64594959e-03 1.32859920e-01]
 [3.68364598e-04 7.79430310e-03]
diff --git a/tests/regression_tests/mgxs_library_no_nuclides/results_true.dat b/tests/regression_tests/mgxs_library_no_nuclides/results_true.dat
index 7ab85f600..c0dba7c0f 100644
--- a/tests/regression_tests/mgxs_library_no_nuclides/results_true.dat
+++ b/tests/regression_tests/mgxs_library_no_nuclides/results_true.dat
@@ -143,7 +143,7 @@ chi-prompt
 inverse-velocity
    material  group in nuclide          mean     std. dev.
 1         1         1   total  5.956290e-08  2.255751e-09
-0         1         2   total  2.886630e-06  7.418455e-08
+0         1         2   total  2.886630e-06  7.418452e-08
 prompt-nu-fission
    material  group in nuclide      mean  std. dev.
 1         1         1   total  0.018067   0.000817
@@ -449,7 +449,7 @@ chi-prompt
 inverse-velocity
    material  group in nuclide          mean     std. dev.
 1         2         1   total  6.076563e-08  2.727519e-09
-0         2         2   total  2.996176e-06  1.110140e-07
+0         2         2   total  2.996176e-06  1.110139e-07
 prompt-nu-fission
    material  group in nuclide  mean  std. dev.
 1         2         1   total   0.0        0.0
diff --git a/tests/regression_tests/mgxs_library_nuclides/results_true.dat b/tests/regression_tests/mgxs_library_nuclides/results_true.dat
index c23890323..c2188997d 100644
--- a/tests/regression_tests/mgxs_library_nuclides/results_true.dat
+++ b/tests/regression_tests/mgxs_library_nuclides/results_true.dat
@@ -1 +1 @@
-c4a4cb4e00f09ef62222a0e66df817af87bf324a2ac0e57a82ff1337535a223c7077d660a60d0ce9ac7113c47d37b3296347f3ba212558ff09ef5fc586e1dd28
\ No newline at end of file
+4ae3b5a70ad72b1be261aee3ab19e0261d1c12f4d4ca50b712d1ba76041bd5387c69fa9fa326619ad588db206cd9aaf464b0025d71ea9b8b1137af0102bca87f
\ No newline at end of file
diff --git a/tests/regression_tests/mgxs_library_specific_nuclides/results_true.dat b/tests/regression_tests/mgxs_library_specific_nuclides/results_true.dat
index 05ee40902..eaf56b966 100644
--- a/tests/regression_tests/mgxs_library_specific_nuclides/results_true.dat
+++ b/tests/regression_tests/mgxs_library_specific_nuclides/results_true.dat
@@ -1 +1 @@
-3e86542d1166b8a0bcc61742b88c9e931d63733477f3274b32b4da64d8f05413fa6330d5615f44f24735c2c2f77d3071f3dce38faba284c321ceab81c1064480
\ No newline at end of file
+08d5c199c51496f86fdd739bf7ee0e143a9a159da0f4d364ec970557e5c1fc92a202d906dcae91812e665fd2e88dd7db1e4913ef6b91f456f23b52093c83f483
\ No newline at end of file
diff --git a/tests/regression_tests/tallies/results_true.dat b/tests/regression_tests/tallies/results_true.dat
index 673d2143b..3dda0f9b2 100644
--- a/tests/regression_tests/tallies/results_true.dat
+++ b/tests/regression_tests/tallies/results_true.dat
@@ -1 +1 @@
-d1decdbec6cb59df91ba5c42cb37a04f413a34fa7faf7ad1eecfd7d53a14af8cb65b58335c4ede4e88f6d9ab35a1746251983cc991d74eab3e678887c84183bd
\ No newline at end of file
+ddfbb0a6f5498eb8ff33bb10beb64e244b015861919eb4837bd82855e5fd87c3ff97dfa382d3d60afa81c48d9f857fba8e0b99263e7b35587f8adb75be1fc0ec
\ No newline at end of file
diff --git a/tests/regression_tests/track_output/results_true.dat b/tests/regression_tests/track_output/results_true.dat
index 746f1448f..148b54a30 100644
--- a/tests/regression_tests/track_output/results_true.dat
+++ b/tests/regression_tests/track_output/results_true.dat
@@ -97,22 +97,22 @@ neutron [((-9.663085e-01, -6.616522e-01, -9.863690e-01), (-7.513921e-01, 4.14097
  ((-1.585080e+01, 1.545037e+00, -2.159072e+01), (6.457458e-01, -1.162934e-01, -7.546444e-01), 4.958073e-01, 5.061748e-06, 1.000000e+00, 22, 2129, 3)
  ((-1.576406e+01, 1.529415e+00, -2.169209e+01), (6.457458e-01, -1.162934e-01, -7.546444e-01), 4.958073e-01, 5.199673e-06, 1.000000e+00, 23, 2129, 1)
  ((-1.553972e+01, 1.489015e+00, -2.195425e+01), (6.457458e-01, -1.162934e-01, -7.546444e-01), 4.958073e-01, 5.556377e-06, 1.000000e+00, 23, 2115, 1)
- ((-1.546081e+01, 1.474803e+00, -2.204648e+01), (3.257038e-01, -9.420596e-01, -8.025439e-02), 3.076319e-01, 5.681852e-06, 1.000000e+00, 23, 2115, 1)
+ ((-1.546081e+01, 1.474803e+00, -2.204648e+01), (3.257038e-01, -9.420596e-01, -8.025439e-02), 3.076319e-01, 5.681853e-06, 1.000000e+00, 23, 2115, 1)
  ((-1.543563e+01, 1.401988e+00, -2.205268e+01), (-3.677195e-01, -8.784218e-01, -3.052172e-01), 8.422973e-02, 5.782605e-06, 1.000000e+00, 23, 2115, 1)
  ((-1.553972e+01, 1.153338e+00, -2.213907e+01), (-3.677195e-01, -8.784218e-01, -3.052172e-01), 8.422973e-02, 6.487752e-06, 1.000000e+00, 23, 2129, 1)
  ((-1.565955e+01, 8.670807e-01, -2.223854e+01), (1.611814e-01, 2.692337e-01, -9.494913e-01), 8.559448e-02, 7.299552e-06, 1.000000e+00, 23, 2129, 1)
  ((-1.563263e+01, 9.120446e-01, -2.239711e+01), (-6.773989e-01, 6.985688e-01, -2.305048e-01), 3.418159e-02, 7.712256e-06, 1.000000e+00, 23, 2129, 1)
- ((-1.592604e+01, 1.214620e+00, -2.249695e+01), (-6.773989e-01, 6.985688e-01, -2.305048e-01), 3.418159e-02, 9.406031e-06, 1.000000e+00, 22, 2129, 3)
+ ((-1.592604e+01, 1.214620e+00, -2.249695e+01), (-6.773989e-01, 6.985688e-01, -2.305048e-01), 3.418159e-02, 9.406032e-06, 1.000000e+00, 22, 2129, 3)
  ((-1.598742e+01, 1.277922e+00, -2.251784e+01), (-6.773989e-01, 6.985688e-01, -2.305048e-01), 3.418159e-02, 9.760391e-06, 1.000000e+00, 21, 2129, 2)
  ((-1.670388e+01, 2.016770e+00, -2.276163e+01), (-6.773989e-01, 6.985688e-01, -2.305048e-01), 3.418159e-02, 1.389636e-05, 1.000000e+00, 22, 2129, 3)
  ((-1.676526e+01, 2.080073e+00, -2.278252e+01), (-6.773989e-01, 6.985688e-01, -2.305048e-01), 3.418159e-02, 1.425072e-05, 1.000000e+00, 23, 2129, 1)
  ((-1.681575e+01, 2.132139e+00, -2.279970e+01), (4.286076e-02, -9.409799e-01, -3.357375e-01), 1.813618e-02, 1.454218e-05, 1.000000e+00, 23, 2129, 1)
  ((-1.681374e+01, 2.087933e+00, -2.281547e+01), (-7.741702e-02, -7.222450e-01, -6.872909e-01), 1.529603e-02, 1.479439e-05, 1.000000e+00, 23, 2129, 1)
  ((-1.682083e+01, 2.021795e+00, -2.287841e+01), (-7.741702e-02, -7.222450e-01, -6.872909e-01), 1.529603e-02, 1.532970e-05, 1.000000e+00, 22, 2129, 3)
- ((-1.684417e+01, 1.804084e+00, -2.308558e+01), (-7.741702e-02, -7.222450e-01, -6.872909e-01), 1.529603e-02, 1.709182e-05, 1.000000e+00, 21, 2129, 2)
+ ((-1.684417e+01, 1.804084e+00, -2.308558e+01), (-7.741702e-02, -7.222450e-01, -6.872909e-01), 1.529603e-02, 1.709181e-05, 1.000000e+00, 21, 2129, 2)
  ((-1.686879e+01, 1.574384e+00, -2.330417e+01), (-7.741702e-02, -7.222450e-01, -6.872909e-01), 1.529603e-02, 1.895097e-05, 1.000000e+00, 22, 2129, 3)
- ((-1.689212e+01, 1.356673e+00, -2.351134e+01), (-7.741702e-02, -7.222450e-01, -6.872909e-01), 1.529603e-02, 2.071309e-05, 1.000000e+00, 23, 2129, 1)
- ((-1.689233e+01, 1.354754e+00, -2.351317e+01), (6.002458e-01, 4.967948e-01, 6.268172e-01), 8.602342e-03, 2.072862e-05, 1.000000e+00, 23, 2129, 1)
+ ((-1.689212e+01, 1.356673e+00, -2.351134e+01), (-7.741702e-02, -7.222450e-01, -6.872909e-01), 1.529603e-02, 2.071308e-05, 1.000000e+00, 23, 2129, 1)
+ ((-1.689233e+01, 1.354754e+00, -2.351317e+01), (6.002458e-01, 4.967948e-01, 6.268172e-01), 8.602342e-03, 2.072861e-05, 1.000000e+00, 23, 2129, 1)
  ((-1.689148e+01, 1.355453e+00, -2.351229e+01), (6.002458e-01, 4.967948e-01, 6.268172e-01), 8.602342e-03, 2.073958e-05, 1.000000e+00, 22, 2129, 3)
  ((-1.682182e+01, 1.413107e+00, -2.343954e+01), (6.002458e-01, 4.967948e-01, 6.268172e-01), 8.602342e-03, 2.164421e-05, 1.000000e+00, 21, 2129, 2)
  ((-1.636364e+01, 1.792326e+00, -2.296107e+01), (9.641593e-01, -1.162836e-01, 2.384846e-01), 7.837617e-03, 2.759442e-05, 1.000000e+00, 21, 2129, 2)
@@ -145,60 +145,60 @@ neutron [((-9.469716e-01, -2.580266e-01, 1.414357e-01), (1.438873e-01, 2.365819e
  ((-3.744933e+00, -1.031047e+00, 2.831062e+00), (-2.916959e-01, -6.494657e-01, -7.022164e-01), 8.590591e+00, 1.876753e-07, 0.000000e+00, 23, 2387, 1)]
 neutron [((6.474155e+00, -5.192870e+00, 5.413003e+00), (-9.112559e-01, 3.950037e-01, 1.165536e-01), 2.052226e+06, 4.450859e-05, 1.000000e+00, 21, 2367, 2)
  ((6.037250e+00, -5.003484e+00, 5.468885e+00), (-9.112559e-01, 3.950037e-01, 1.165536e-01), 2.052226e+06, 4.450883e-05, 1.000000e+00, 22, 2367, 3)
- ((5.942573e+00, -4.962444e+00, 5.480995e+00), (-9.112559e-01, 3.950037e-01, 1.165536e-01), 2.052226e+06, 4.450888e-05, 1.000000e+00, 23, 2367, 1)
- ((5.861800e+00, -4.927431e+00, 5.491326e+00), (-9.518772e-01, -3.064714e-01, -2.259335e-03), 1.141417e+06, 4.450892e-05, 1.000000e+00, 23, 2367, 1)
- ((5.725160e+00, -4.971424e+00, 5.491002e+00), (-9.518772e-01, -3.064714e-01, -2.259335e-03), 1.141417e+06, 4.450902e-05, 1.000000e+00, 23, 2366, 1)
+ ((5.942573e+00, -4.962444e+00, 5.480995e+00), (-9.112559e-01, 3.950037e-01, 1.165536e-01), 2.052226e+06, 4.450889e-05, 1.000000e+00, 23, 2367, 1)
+ ((5.861800e+00, -4.927431e+00, 5.491326e+00), (-9.518772e-01, -3.064714e-01, -2.259335e-03), 1.141417e+06, 4.450893e-05, 1.000000e+00, 23, 2367, 1)
+ ((5.725160e+00, -4.971424e+00, 5.491002e+00), (-9.518772e-01, -3.064714e-01, -2.259335e-03), 1.141417e+06, 4.450903e-05, 1.000000e+00, 23, 2366, 1)
  ((5.494150e+00, -5.045802e+00, 5.490454e+00), (-9.518772e-01, -3.064714e-01, -2.259335e-03), 1.141417e+06, 4.450919e-05, 1.000000e+00, 22, 2366, 3)
- ((5.392865e+00, -5.078412e+00, 5.490213e+00), (-9.518772e-01, -3.064714e-01, -2.259335e-03), 1.141417e+06, 4.450926e-05, 1.000000e+00, 21, 2366, 2)
- ((4.612759e+00, -5.329579e+00, 5.488362e+00), (-9.518772e-01, -3.064714e-01, -2.259335e-03), 1.141417e+06, 4.450981e-05, 1.000000e+00, 22, 2366, 3)
+ ((5.392865e+00, -5.078412e+00, 5.490213e+00), (-9.518772e-01, -3.064714e-01, -2.259335e-03), 1.141417e+06, 4.450927e-05, 1.000000e+00, 21, 2366, 2)
+ ((4.612759e+00, -5.329579e+00, 5.488362e+00), (-9.518772e-01, -3.064714e-01, -2.259335e-03), 1.141417e+06, 4.450982e-05, 1.000000e+00, 22, 2366, 3)
  ((4.511474e+00, -5.362189e+00, 5.488121e+00), (-9.518772e-01, -3.064714e-01, -2.259335e-03), 1.141417e+06, 4.450989e-05, 1.000000e+00, 23, 2366, 1)
  ((4.089400e+00, -5.498082e+00, 5.487119e+00), (-9.518772e-01, -3.064714e-01, -2.259335e-03), 1.141417e+06, 4.451019e-05, 1.000000e+00, 23, 2365, 1)
  ((3.384113e+00, -5.725160e+00, 5.485445e+00), (-9.518772e-01, -3.064714e-01, -2.259335e-03), 1.141417e+06, 4.451069e-05, 1.000000e+00, 23, 2351, 1)
- ((2.453640e+00, -6.024740e+00, 5.483237e+00), (-9.518772e-01, -3.064714e-01, -2.259335e-03), 1.141417e+06, 4.451135e-05, 1.000000e+00, 23, 2350, 1)
- ((2.086813e+00, -6.142846e+00, 5.482366e+00), (-9.518772e-01, -3.064714e-01, -2.259335e-03), 1.141417e+06, 4.451161e-05, 1.000000e+00, 22, 2350, 3)
+ ((2.453640e+00, -6.024740e+00, 5.483237e+00), (-9.518772e-01, -3.064714e-01, -2.259335e-03), 1.141417e+06, 4.451136e-05, 1.000000e+00, 23, 2350, 1)
+ ((2.086813e+00, -6.142846e+00, 5.482366e+00), (-9.518772e-01, -3.064714e-01, -2.259335e-03), 1.141417e+06, 4.451162e-05, 1.000000e+00, 22, 2350, 3)
  ((1.993594e+00, -6.172859e+00, 5.482145e+00), (-9.518772e-01, -3.064714e-01, -2.259335e-03), 1.141417e+06, 4.451168e-05, 1.000000e+00, 21, 2350, 2)
- ((1.325704e+00, -6.387896e+00, 5.480560e+00), (8.986086e-01, -4.380574e-01, -2.466265e-02), 9.775839e+05, 4.451215e-05, 1.000000e+00, 21, 2350, 2)
- ((2.061403e+00, -6.746538e+00, 5.460368e+00), (-7.778764e-01, 2.051975e-01, -5.939716e-01), 7.813219e+05, 4.451275e-05, 1.000000e+00, 21, 2350, 2)
- ((1.122794e+00, -6.498940e+00, 4.743664e+00), (-7.778764e-01, 2.051975e-01, -5.939716e-01), 7.813219e+05, 4.451374e-05, 1.000000e+00, 22, 2350, 3)
- ((1.036483e+00, -6.476172e+00, 4.677758e+00), (-7.778764e-01, 2.051975e-01, -5.939716e-01), 7.813219e+05, 4.451383e-05, 1.000000e+00, 23, 2350, 1)
- ((8.178800e-01, -6.418507e+00, 4.510837e+00), (-7.778764e-01, 2.051975e-01, -5.939716e-01), 7.813219e+05, 4.451406e-05, 1.000000e+00, 23, 2349, 1)
+ ((1.325704e+00, -6.387896e+00, 5.480560e+00), (8.986086e-01, -4.380574e-01, -2.466265e-02), 9.775839e+05, 4.451216e-05, 1.000000e+00, 21, 2350, 2)
+ ((2.061403e+00, -6.746538e+00, 5.460368e+00), (-7.778764e-01, 2.051975e-01, -5.939716e-01), 7.813219e+05, 4.451276e-05, 1.000000e+00, 21, 2350, 2)
+ ((1.122794e+00, -6.498940e+00, 4.743664e+00), (-7.778764e-01, 2.051975e-01, -5.939716e-01), 7.813219e+05, 4.451375e-05, 1.000000e+00, 22, 2350, 3)
+ ((1.036483e+00, -6.476172e+00, 4.677758e+00), (-7.778764e-01, 2.051975e-01, -5.939716e-01), 7.813219e+05, 4.451384e-05, 1.000000e+00, 23, 2350, 1)
+ ((8.178800e-01, -6.418507e+00, 4.510837e+00), (-7.778764e-01, 2.051975e-01, -5.939716e-01), 7.813219e+05, 4.451407e-05, 1.000000e+00, 23, 2349, 1)
  ((5.725264e-01, -6.353784e+00, 4.323490e+00), (-7.778764e-01, 2.051975e-01, -5.939716e-01), 7.813219e+05, 4.451432e-05, 1.000000e+00, 22, 2349, 3)
- ((4.668297e-01, -6.325902e+00, 4.242782e+00), (-7.778764e-01, 2.051975e-01, -5.939716e-01), 7.813219e+05, 4.451443e-05, 1.000000e+00, 21, 2349, 2)
+ ((4.668297e-01, -6.325902e+00, 4.242782e+00), (-7.778764e-01, 2.051975e-01, -5.939716e-01), 7.813219e+05, 4.451444e-05, 1.000000e+00, 21, 2349, 2)
  ((-2.989816e-01, -6.123888e+00, 3.658023e+00), (-7.778764e-01, 2.051975e-01, -5.939716e-01), 7.813219e+05, 4.451524e-05, 1.000000e+00, 22, 2349, 3)
  ((-4.046782e-01, -6.096006e+00, 3.577315e+00), (-7.778764e-01, 2.051975e-01, -5.939716e-01), 7.813219e+05, 4.451535e-05, 1.000000e+00, 23, 2349, 1)
  ((-8.040445e-01, -5.990656e+00, 3.272367e+00), (-7.989001e-01, -1.890553e-01, -5.709787e-01), 6.637114e+05, 4.451577e-05, 1.000000e+00, 23, 2349, 1)
- ((-8.178800e-01, -5.993930e+00, 3.262478e+00), (-7.989001e-01, -1.890553e-01, -5.709787e-01), 6.637114e+05, 4.451578e-05, 1.000000e+00, 23, 2348, 1)
- ((-1.077910e+00, -6.055465e+00, 3.076633e+00), (-4.487118e-01, 1.670254e-01, -8.779295e-01), 4.550608e+05, 4.451607e-05, 1.000000e+00, 23, 2348, 1)
- ((-1.215611e+00, -6.004208e+00, 2.807214e+00), (7.872329e-01, 4.481433e-01, -4.235941e-01), 3.544207e+03, 4.451640e-05, 1.000000e+00, 23, 2348, 1)
- ((-1.100296e+00, -5.938564e+00, 2.745166e+00), (8.468456e-01, 5.310954e-01, 2.811230e-02), 2.812308e+03, 4.451818e-05, 1.000000e+00, 23, 2348, 1)
+ ((-8.178800e-01, -5.993930e+00, 3.262478e+00), (-7.989001e-01, -1.890553e-01, -5.709787e-01), 6.637114e+05, 4.451579e-05, 1.000000e+00, 23, 2348, 1)
+ ((-1.077910e+00, -6.055465e+00, 3.076633e+00), (-4.487118e-01, 1.670254e-01, -8.779295e-01), 4.550608e+05, 4.451608e-05, 1.000000e+00, 23, 2348, 1)
+ ((-1.215611e+00, -6.004208e+00, 2.807214e+00), (7.872329e-01, 4.481433e-01, -4.235941e-01), 3.544207e+03, 4.451641e-05, 1.000000e+00, 23, 2348, 1)
+ ((-1.100296e+00, -5.938564e+00, 2.745166e+00), (8.468456e-01, 5.310954e-01, 2.811230e-02), 2.812308e+03, 4.451819e-05, 1.000000e+00, 23, 2348, 1)
  ((-8.178800e-01, -5.761448e+00, 2.754541e+00), (8.468456e-01, 5.310954e-01, 2.811230e-02), 2.812308e+03, 4.452273e-05, 1.000000e+00, 23, 2349, 1)
  ((-7.600184e-01, -5.725160e+00, 2.756462e+00), (8.468456e-01, 5.310954e-01, 2.811230e-02), 2.812308e+03, 4.452366e-05, 1.000000e+00, 23, 2363, 1)
  ((-2.947156e-01, -5.433347e+00, 2.771908e+00), (8.468456e-01, 5.310954e-01, 2.811230e-02), 2.812308e+03, 4.453115e-05, 1.000000e+00, 22, 2363, 3)
- ((-2.073333e-01, -5.378546e+00, 2.774809e+00), (8.468456e-01, 5.310954e-01, 2.811230e-02), 2.812308e+03, 4.453255e-05, 1.000000e+00, 21, 2363, 2)
- ((-1.746705e-01, -5.358062e+00, 2.775893e+00), (5.278774e-01, 5.459205e-01, 6.506276e-01), 2.806481e+03, 4.453308e-05, 1.000000e+00, 21, 2363, 2)
- ((-8.681718e-02, -5.267205e+00, 2.884176e+00), (-8.975500e-01, 8.968076e-04, -4.409119e-01), 2.764929e+03, 4.453535e-05, 1.000000e+00, 21, 2363, 2)
+ ((-2.073333e-01, -5.378546e+00, 2.774809e+00), (8.468456e-01, 5.310954e-01, 2.811230e-02), 2.812308e+03, 4.453256e-05, 1.000000e+00, 21, 2363, 2)
+ ((-1.746705e-01, -5.358062e+00, 2.775893e+00), (5.278774e-01, 5.459205e-01, 6.506276e-01), 2.806481e+03, 4.453309e-05, 1.000000e+00, 21, 2363, 2)
+ ((-8.681718e-02, -5.267205e+00, 2.884176e+00), (-8.975500e-01, 8.968076e-04, -4.409119e-01), 2.764929e+03, 4.453536e-05, 1.000000e+00, 21, 2363, 2)
  ((-3.684221e-01, -5.266924e+00, 2.745840e+00), (-8.975500e-01, 8.968076e-04, -4.409119e-01), 2.764929e+03, 4.453967e-05, 1.000000e+00, 22, 2363, 3)
  ((-4.840903e-01, -5.266809e+00, 2.689019e+00), (-8.975500e-01, 8.968076e-04, -4.409119e-01), 2.764929e+03, 4.454144e-05, 1.000000e+00, 23, 2363, 1)
- ((-8.178800e-01, -5.266475e+00, 2.525049e+00), (-8.975500e-01, 8.968076e-04, -4.409119e-01), 2.764929e+03, 4.454655e-05, 1.000000e+00, 23, 2362, 1)
+ ((-8.178800e-01, -5.266475e+00, 2.525049e+00), (-8.975500e-01, 8.968076e-04, -4.409119e-01), 2.764929e+03, 4.454656e-05, 1.000000e+00, 23, 2362, 1)
  ((-1.151175e+00, -5.266142e+00, 2.361321e+00), (-8.975500e-01, 8.968076e-04, -4.409119e-01), 2.764929e+03, 4.455166e-05, 1.000000e+00, 22, 2362, 3)
- ((-1.266464e+00, -5.266027e+00, 2.304687e+00), (-8.975500e-01, 8.968076e-04, -4.409119e-01), 2.764929e+03, 4.455342e-05, 1.000000e+00, 21, 2362, 2)
+ ((-1.266464e+00, -5.266027e+00, 2.304687e+00), (-8.975500e-01, 8.968076e-04, -4.409119e-01), 2.764929e+03, 4.455343e-05, 1.000000e+00, 21, 2362, 2)
  ((-2.005772e+00, -5.265288e+00, 1.941509e+00), (-8.975500e-01, 8.968076e-04, -4.409119e-01), 2.764929e+03, 4.456475e-05, 1.000000e+00, 22, 2362, 3)
- ((-2.121061e+00, -5.265173e+00, 1.884875e+00), (-8.975500e-01, 8.968076e-04, -4.409119e-01), 2.764929e+03, 4.456651e-05, 1.000000e+00, 23, 2362, 1)
- ((-2.393759e+00, -5.264900e+00, 1.750915e+00), (-9.607392e-01, -1.749373e-01, 2.153533e-01), 1.619469e+03, 4.457069e-05, 1.000000e+00, 23, 2362, 1)
- ((-2.453640e+00, -5.275804e+00, 1.764337e+00), (-9.607392e-01, -1.749373e-01, 2.153533e-01), 1.619469e+03, 4.457181e-05, 1.000000e+00, 23, 2361, 1)
- ((-2.470658e+00, -5.278903e+00, 1.768152e+00), (-6.728606e-01, -2.916408e-01, -6.798561e-01), 4.873672e+02, 4.457213e-05, 1.000000e+00, 23, 2361, 1)
- ((-3.463692e+00, -5.709318e+00, 7.647939e-01), (-2.249302e-01, -9.330150e-01, -2.808728e-01), 1.790901e+02, 4.462046e-05, 1.000000e+00, 23, 2361, 1)
- ((-3.467511e+00, -5.725160e+00, 7.600247e-01), (-2.249302e-01, -9.330150e-01, -2.808728e-01), 1.790901e+02, 4.462138e-05, 1.000000e+00, 23, 2347, 1)
+ ((-2.121061e+00, -5.265173e+00, 1.884875e+00), (-8.975500e-01, 8.968076e-04, -4.409119e-01), 2.764929e+03, 4.456652e-05, 1.000000e+00, 23, 2362, 1)
+ ((-2.393759e+00, -5.264900e+00, 1.750915e+00), (-9.607392e-01, -1.749373e-01, 2.153533e-01), 1.619469e+03, 4.457070e-05, 1.000000e+00, 23, 2362, 1)
+ ((-2.453640e+00, -5.275804e+00, 1.764337e+00), (-9.607392e-01, -1.749373e-01, 2.153533e-01), 1.619469e+03, 4.457182e-05, 1.000000e+00, 23, 2361, 1)
+ ((-2.470658e+00, -5.278903e+00, 1.768152e+00), (-6.728606e-01, -2.916408e-01, -6.798561e-01), 4.873672e+02, 4.457214e-05, 1.000000e+00, 23, 2361, 1)
+ ((-3.463692e+00, -5.709318e+00, 7.647939e-01), (-2.249302e-01, -9.330150e-01, -2.808728e-01), 1.790901e+02, 4.462047e-05, 1.000000e+00, 23, 2361, 1)
+ ((-3.467511e+00, -5.725160e+00, 7.600247e-01), (-2.249302e-01, -9.330150e-01, -2.808728e-01), 1.790901e+02, 4.462139e-05, 1.000000e+00, 23, 2347, 1)
  ((-3.533785e+00, -6.000066e+00, 6.772677e-01), (-2.249302e-01, -9.330150e-01, -2.808728e-01), 1.790901e+02, 4.463730e-05, 1.000000e+00, 22, 2347, 3)
- ((-3.562245e+00, -6.118119e+00, 6.417291e-01), (-2.249302e-01, -9.330150e-01, -2.808728e-01), 1.790901e+02, 4.464413e-05, 1.000000e+00, 21, 2347, 2)
+ ((-3.562245e+00, -6.118119e+00, 6.417291e-01), (-2.249302e-01, -9.330150e-01, -2.808728e-01), 1.790901e+02, 4.464414e-05, 1.000000e+00, 21, 2347, 2)
  ((-3.723934e+00, -6.788806e+00, 4.398272e-01), (-2.249302e-01, -9.330150e-01, -2.808728e-01), 1.790901e+02, 4.468297e-05, 1.000000e+00, 22, 2347, 3)
- ((-3.752394e+00, -6.906859e+00, 4.042885e-01), (-2.249302e-01, -9.330150e-01, -2.808728e-01), 1.790901e+02, 4.468980e-05, 1.000000e+00, 23, 2347, 1)
- ((-3.848515e+00, -7.305571e+00, 2.842613e-01), (6.498448e-01, -3.243413e-01, -6.873896e-01), 2.328979e+01, 4.471289e-05, 1.000000e+00, 23, 2347, 1)
+ ((-3.752394e+00, -6.906859e+00, 4.042885e-01), (-2.249302e-01, -9.330150e-01, -2.808728e-01), 1.790901e+02, 4.468981e-05, 1.000000e+00, 23, 2347, 1)
+ ((-3.848515e+00, -7.305571e+00, 2.842613e-01), (6.498448e-01, -3.243413e-01, -6.873896e-01), 2.328979e+01, 4.471290e-05, 1.000000e+00, 23, 2347, 1)
  ((-3.737619e+00, -7.360920e+00, 1.669579e-01), (6.498448e-01, -3.243413e-01, -6.873896e-01), 2.328979e+01, 4.473846e-05, 1.000000e+00, 11, 1750, 1)
- ((-3.574308e+00, -7.442429e+00, -5.788041e-03), (6.794505e-01, 3.157106e-01, -6.623246e-01), 1.590416e+01, 4.477610e-05, 1.000000e+00, 11, 1750, 1)
- ((-3.398889e+00, -7.360920e+00, -1.767852e-01), (6.794505e-01, 3.157106e-01, -6.623246e-01), 1.590416e+01, 4.482291e-05, 1.000000e+00, 23, 2347, 1)
- ((-2.904712e+00, -7.131298e+00, -6.585068e-01), (-4.836985e-02, -2.819627e-01, -9.582053e-01), 2.610202e+00, 4.495476e-05, 1.000000e+00, 23, 2347, 1)
- ((-2.923579e+00, -7.241285e+00, -1.032280e+00), (-6.089807e-01, -2.347428e-01, -7.576532e-01), 1.671268e+00, 4.512932e-05, 1.000000e+00, 23, 2347, 1)
+ ((-3.574308e+00, -7.442429e+00, -5.788041e-03), (6.794505e-01, 3.157106e-01, -6.623246e-01), 1.590416e+01, 4.477611e-05, 1.000000e+00, 11, 1750, 1)
+ ((-3.398889e+00, -7.360920e+00, -1.767852e-01), (6.794505e-01, 3.157106e-01, -6.623246e-01), 1.590416e+01, 4.482292e-05, 1.000000e+00, 23, 2347, 1)
+ ((-2.904712e+00, -7.131298e+00, -6.585068e-01), (-4.836985e-02, -2.819627e-01, -9.582053e-01), 2.610202e+00, 4.495477e-05, 1.000000e+00, 23, 2347, 1)
+ ((-2.923579e+00, -7.241285e+00, -1.032280e+00), (-6.089807e-01, -2.347428e-01, -7.576532e-01), 1.671268e+00, 4.512933e-05, 1.000000e+00, 23, 2347, 1)
  ((-3.012516e+00, -7.275567e+00, -1.142930e+00), (3.221931e-01, -5.406104e-01, -7.771306e-01), 1.275709e-01, 4.521100e-05, 1.000000e+00, 23, 2347, 1)
  ((-2.984032e+00, -7.323360e+00, -1.211633e+00), (-8.629564e-01, -1.719529e-01, -4.751195e-01), 1.897424e-02, 4.538995e-05, 1.000000e+00, 23, 2347, 1)
  ((-3.172528e+00, -7.360920e+00, -1.315413e+00), (-8.629564e-01, -1.719529e-01, -4.751195e-01), 1.897424e-02, 4.653641e-05, 1.000000e+00, 11, 1750, 1)
@@ -206,13 +206,13 @@ neutron [((6.474155e+00, -5.192870e+00, 5.413003e+00), (-9.112559e-01, 3.950037e
  ((-3.625236e+00, -7.552741e+00, -1.449021e+00), (-1.976867e-01, 2.826475e-01, 9.386322e-01), 2.145548e-02, 5.009730e-05, 1.000000e+00, 11, 1750, 1)
  ((-3.636290e+00, -7.536936e+00, -1.396537e+00), (1.266676e-01, 2.265353e-01, -9.657314e-01), 1.815564e-02, 5.037329e-05, 1.000000e+00, 11, 1750, 1)
  ((-3.621792e+00, -7.511008e+00, -1.507069e+00), (-4.275550e-01, 8.441443e-01, 3.234457e-01), 1.848049e-02, 5.098741e-05, 1.000000e+00, 11, 1750, 1)
- ((-3.697811e+00, -7.360920e+00, -1.449560e+00), (-4.275550e-01, 8.441443e-01, 3.234457e-01), 1.848049e-02, 5.193299e-05, 1.000000e+00, 23, 2347, 1)
- ((-3.703436e+00, -7.349814e+00, -1.445305e+00), (-7.832167e-01, 5.713670e-01, 2.451762e-01), 1.861705e-02, 5.200296e-05, 1.000000e+00, 23, 2347, 1)
+ ((-3.697811e+00, -7.360920e+00, -1.449560e+00), (-4.275550e-01, 8.441443e-01, 3.234457e-01), 1.848049e-02, 5.193300e-05, 1.000000e+00, 23, 2347, 1)
+ ((-3.703436e+00, -7.349814e+00, -1.445305e+00), (-7.832167e-01, 5.713670e-01, 2.451762e-01), 1.861705e-02, 5.200297e-05, 1.000000e+00, 23, 2347, 1)
  ((-3.823243e+00, -7.262414e+00, -1.407801e+00), (-9.917106e-01, 5.069164e-02, 1.180695e-01), 4.703334e-02, 5.281350e-05, 1.000000e+00, 23, 2347, 1)
  ((-4.089400e+00, -7.248809e+00, -1.376113e+00), (-9.917106e-01, 5.069164e-02, 1.180695e-01), 4.703334e-02, 5.370820e-05, 1.000000e+00, 23, 2346, 1)
  ((-4.131081e+00, -7.246679e+00, -1.371151e+00), (9.108632e-01, -4.018526e-01, 9.403556e-02), 8.057393e-02, 5.384831e-05, 1.000000e+00, 23, 2346, 1)
  ((-4.089400e+00, -7.265067e+00, -1.366848e+00), (9.108632e-01, -4.018526e-01, 9.403556e-02), 8.057393e-02, 5.396486e-05, 1.000000e+00, 23, 2347, 1)
- ((-3.872134e+00, -7.360920e+00, -1.344418e+00), (9.108632e-01, -4.018526e-01, 9.403556e-02), 8.057393e-02, 5.457239e-05, 1.000000e+00, 11, 1750, 1)
+ ((-3.872134e+00, -7.360920e+00, -1.344418e+00), (9.108632e-01, -4.018526e-01, 9.403556e-02), 8.057393e-02, 5.457240e-05, 1.000000e+00, 11, 1750, 1)
  ((-3.673062e+00, -7.448746e+00, -1.323866e+00), (2.976906e-01, 8.174443e-01, -4.931178e-01), 5.538060e-02, 5.512905e-05, 1.000000e+00, 11, 1750, 1)
  ((-3.658580e+00, -7.408978e+00, -1.347855e+00), (-5.409120e-01, 8.345378e-01, -1.046943e-01), 8.122576e-02, 5.527851e-05, 1.000000e+00, 11, 1750, 1)
- ((-3.682981e+00, -7.371331e+00, -1.352578e+00), (-5.409120e-01, 8.345378e-01, -1.046943e-01), 8.122576e-02, 5.539294e-05, 0.000000e+00, 11, 1750, 1)]
+ ((-3.682981e+00, -7.371331e+00, -1.352578e+00), (-5.409120e-01, 8.345378e-01, -1.046943e-01), 8.122576e-02, 5.539295e-05, 0.000000e+00, 11, 1750, 1)]

From 63cb7c23a69987c703f4291c24bd70c0d41a915b Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Thu, 4 Jan 2024 19:12:09 +0000
Subject: [PATCH 2011/2654] added missing meshes to lib docs (#2820)

---
 docs/source/pythonapi/capi.rst | 3 +++
 1 file changed, 3 insertions(+)

diff --git a/docs/source/pythonapi/capi.rst b/docs/source/pythonapi/capi.rst
index bce647ccb..ef713801c 100644
--- a/docs/source/pythonapi/capi.rst
+++ b/docs/source/pythonapi/capi.rst
@@ -54,11 +54,14 @@ Classes
    :template: myclass.rst
 
    Cell
+   CylindricalMesh
    EnergyFilter
    MaterialFilter
    Material
    MeshFilter
    MeshSurfaceFilter
    Nuclide
+   RectilinearMesh
    RegularMesh
+   SphericalMesh
    Tally

From cc15f5e5dfdd50c5b6f6d16a034e7e5e1c11180c Mon Sep 17 00:00:00 2001
From: Gavin Ridley <gavin.keith.ridley@gmail.com>
Date: Thu, 11 Jan 2024 08:52:33 -0600
Subject: [PATCH 2012/2654] Fix config change not propagating through to decay
 energies (#2825)

---
 openmc/config.py | 5 +++--
 1 file changed, 3 insertions(+), 2 deletions(-)

diff --git a/openmc/config.py b/openmc/config.py
index 3b8992536..b823d6b06 100644
--- a/openmc/config.py
+++ b/openmc/config.py
@@ -4,7 +4,7 @@ from pathlib import Path
 import warnings
 
 from openmc.data import DataLibrary
-from openmc.data.decay import _DECAY_PHOTON_ENERGY
+from openmc.data.decay import _DECAY_ENERGY, _DECAY_PHOTON_ENERGY
 
 __all__ = ["config"]
 
@@ -41,6 +41,7 @@ class _Config(MutableMapping):
             os.environ['OPENMC_CHAIN_FILE'] = str(value)
             # Reset photon source data since it relies on chain file
             _DECAY_PHOTON_ENERGY.clear()
+            _DECAY_ENERGY.clear()
         else:
             raise KeyError(f'Unrecognized config key: {key}. Acceptable keys '
                            'are "cross_sections", "mg_cross_sections" and '
@@ -76,7 +77,7 @@ def _default_config():
     if (chain_file is None and
         config.get('cross_sections') is not None and
         config['cross_sections'].exists()
-    ):
+        ):
         # Check for depletion chain in cross_sections.xml
         data = DataLibrary.from_xml(config['cross_sections'])
         for lib in reversed(data.libraries):

From d8e9d58c5e461b3b16345f25c4741027c915a297 Mon Sep 17 00:00:00 2001
From: Gavin Ridley <gavin.keith.ridley@gmail.com>
Date: Thu, 11 Jan 2024 08:56:44 -0600
Subject: [PATCH 2013/2654] Reset timers at correct place in deplete (#2821)

---
 openmc/deplete/coupled_operator.py | 17 +++++++++++++++--
 1 file changed, 15 insertions(+), 2 deletions(-)

diff --git a/openmc/deplete/coupled_operator.py b/openmc/deplete/coupled_operator.py
index 287a4e0d3..d591e956f 100644
--- a/openmc/deplete/coupled_operator.py
+++ b/openmc/deplete/coupled_operator.py
@@ -265,6 +265,9 @@ class CoupledOperator(OpenMCOperator):
             'fission_yield_opts': fission_yield_opts
         }
 
+        # Records how many times the operator has been called
+        self._n_calls = 0
+
         super().__init__(
             materials=model.materials,
             cross_sections=cross_sections,
@@ -429,6 +432,16 @@ class CoupledOperator(OpenMCOperator):
         # Reset results in OpenMC
         openmc.lib.reset()
 
+        # The timers are reset only if the operator has been called before.
+        # This is because we call this method after loading cross sections, and
+        # no transport has taken place yet. As a result, we only reset the
+        # timers after the first step so as to correctly report the time spent
+        # reading cross sections in the first depletion step, and from there
+        # correctly report all particle tracking rates in multistep depletion
+        # solvers.
+        if self._n_calls > 0:
+            openmc.lib.reset_timers()
+
         self._update_materials_and_nuclides(vec)
 
         # If the source rate is zero, return zero reaction rates without running
@@ -449,6 +462,8 @@ class CoupledOperator(OpenMCOperator):
 
         op_result = OperatorResult(keff, rates)
 
+        self._n_calls += 1
+
         return copy.deepcopy(op_result)
 
     def _update_materials(self):
@@ -508,8 +523,6 @@ class CoupledOperator(OpenMCOperator):
             "openmc_simulation_n{}.h5".format(step),
             write_source=False)
 
-        openmc.lib.reset_timers()
-
     def finalize(self):
         """Finalize a depletion simulation and release resources."""
         if self.cleanup_when_done:

From 971c5f77a5ebc276c6aa5c24879f115d1a49a8ed Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Mon, 15 Jan 2024 14:33:56 -0600
Subject: [PATCH 2014/2654] Ensure that implicit complement cells appear last
 in DAGMC universes (#2838)

---
 src/cell.cpp                                  | 30 ++++++++++++++++---
 .../regression_tests/dagmc/external/main.cpp  | 16 +++++++++-
 2 files changed, 41 insertions(+), 5 deletions(-)

diff --git a/src/cell.cpp b/src/cell.cpp
index c96abf39b..cba52f1b5 100644
--- a/src/cell.cpp
+++ b/src/cell.cpp
@@ -1020,19 +1020,41 @@ void read_cells(pugi::xml_node node)
 
 void populate_universes()
 {
+  // Used to map universe index to the index of an implicit complement cell for
+  // DAGMC universes
+  std::unordered_map<int, int> implicit_comp_cells;
+
   // Populate the Universe vector and map.
-  for (int i = 0; i < model::cells.size(); i++) {
-    int32_t uid = model::cells[i]->universe_;
+  for (int index_cell = 0; index_cell < model::cells.size(); index_cell++) {
+    int32_t uid = model::cells[index_cell]->universe_;
     auto it = model::universe_map.find(uid);
     if (it == model::universe_map.end()) {
       model::universes.push_back(make_unique<Universe>());
       model::universes.back()->id_ = uid;
-      model::universes.back()->cells_.push_back(i);
+      model::universes.back()->cells_.push_back(index_cell);
       model::universe_map[uid] = model::universes.size() - 1;
     } else {
-      model::universes[it->second]->cells_.push_back(i);
+#ifdef DAGMC
+      // Skip implicit complement cells for now
+      Universe* univ = model::universes[it->second].get();
+      DAGUniverse* dag_univ = dynamic_cast<DAGUniverse*>(univ);
+      if (dag_univ && (dag_univ->implicit_complement_idx() == index_cell)) {
+        implicit_comp_cells[it->second] = index_cell;
+        continue;
+      }
+#endif
+
+      model::universes[it->second]->cells_.push_back(index_cell);
     }
   }
+
+  // Add DAGUniverse implicit complement cells last
+  for (const auto& it : implicit_comp_cells) {
+    int index_univ = it.first;
+    int index_cell = it.second;
+    model::universes[index_univ]->cells_.push_back(index_cell);
+  }
+
   model::universes.shrink_to_fit();
 }
 
diff --git a/tests/regression_tests/dagmc/external/main.cpp b/tests/regression_tests/dagmc/external/main.cpp
index 42f7d97c9..bebe088f6 100644
--- a/tests/regression_tests/dagmc/external/main.cpp
+++ b/tests/regression_tests/dagmc/external/main.cpp
@@ -33,7 +33,7 @@ int main(int argc, char* argv[])
   // Initialize acceleration data structures
   rval = dag_ptr->init_OBBTree();
   if (rval != moab::MB_SUCCESS) {
-    fatal_error("Failed to initialise OBB tree");
+    fatal_error("Failed to initialize OBB tree");
   }
 
   // Get rid of existing geometry
@@ -62,6 +62,20 @@ int main(int argc, char* argv[])
   // Add cells to universes
   openmc::populate_universes();
 
+  // Make sure implicit complement appears last
+  auto dag_univ = dynamic_cast<DAGUniverse*>(model::universes.back().get());
+  int n = dag_univ->cells_.size();
+  for (int i = 0; i < n - 1; ++i) {
+    if (dag_univ->cells_[i] == dag_univ->implicit_complement_idx()) {
+      fatal_error("Implicit complement cell should appear last in vector of "
+                  "cells for DAGMC universe.");
+    }
+  }
+  if (dag_univ->cells_.back() != dag_univ->implicit_complement_idx()) {
+    fatal_error(
+      "Last cell in DAGMC universe is not an implicit complement cell.");
+  }
+
   // Set root universe
   openmc::model::root_universe = openmc::find_root_universe();
   openmc::check_dagmc_root_univ();

From 5549b58e1fbebf0f584341d039fede2a44ae0889 Mon Sep 17 00:00:00 2001
From: Gavin Ridley <gavin.keith.ridley@gmail.com>
Date: Tue, 16 Jan 2024 10:35:57 -0600
Subject: [PATCH 2015/2654] Geometron (#2744)

---
 include/openmc/cell.h          |  14 +-
 include/openmc/dagmc.h         |   8 +-
 include/openmc/geometry.h      |  16 +-
 include/openmc/particle.h      |  14 +-
 include/openmc/particle_data.h | 440 ++++++++++++++++++++-------------
 include/openmc/plot.h          |   8 +-
 include/openmc/surface.h       |   7 +-
 include/openmc/universe.h      |   3 +-
 src/cell.cpp                   |   7 +-
 src/dagmc.cpp                  |  12 +-
 src/geometry.cpp               |  67 ++---
 src/particle.cpp               |  18 +-
 src/particle_data.cpp          |  23 +-
 src/plot.cpp                   |  43 ++--
 src/surface.cpp                |   4 +-
 src/universe.cpp               |   3 +-
 16 files changed, 403 insertions(+), 284 deletions(-)

diff --git a/include/openmc/cell.h b/include/openmc/cell.h
index 39acaf067..c405f536b 100644
--- a/include/openmc/cell.h
+++ b/include/openmc/cell.h
@@ -40,6 +40,7 @@ constexpr int32_t OP_UNION {std::numeric_limits<int32_t>::max() - 4};
 //==============================================================================
 
 class Cell;
+class GeometryState;
 class ParentCell;
 class CellInstance;
 class Universe;
@@ -82,7 +83,7 @@ public:
 
   //! Find the oncoming boundary of this cell.
   std::pair<double, int32_t> distance(
-    Position r, Direction u, int32_t on_surface, Particle* p) const;
+    Position r, Direction u, int32_t on_surface) const;
 
   //! Get the BoundingBox for this cell.
   BoundingBox bounding_box(int32_t cell_id) const;
@@ -183,7 +184,7 @@ public:
 
   //! Find the oncoming boundary of this cell.
   virtual std::pair<double, int32_t> distance(
-    Position r, Direction u, int32_t on_surface, Particle* p) const = 0;
+    Position r, Direction u, int32_t on_surface, GeometryState* p) const = 0;
 
   //! Write all information needed to reconstruct the cell to an HDF5 group.
   //! \param group_id An HDF5 group id.
@@ -260,7 +261,8 @@ protected:
   //! \param[in] instance of the cell to find parent cells for
   //! \param[in] p particle used to do a fast search for parent cells
   //! \return parent cells
-  vector<ParentCell> find_parent_cells(int32_t instance, Particle& p) const;
+  vector<ParentCell> find_parent_cells(
+    int32_t instance, GeometryState& p) const;
 
   //! Determine the path to this cell instance in the geometry hierarchy
   //! \param[in] instance of the cell to find parent cells for
@@ -332,10 +334,10 @@ public:
   // Methods
   vector<int32_t> surfaces() const override { return region_.surfaces(); }
 
-  std::pair<double, int32_t> distance(
-    Position r, Direction u, int32_t on_surface, Particle* p) const override
+  std::pair<double, int32_t> distance(Position r, Direction u,
+    int32_t on_surface, GeometryState* p) const override
   {
-    return region_.distance(r, u, on_surface, p);
+    return region_.distance(r, u, on_surface);
   }
 
   bool contains(Position r, Direction u, int32_t on_surface) const override
diff --git a/include/openmc/dagmc.h b/include/openmc/dagmc.h
index 5ed426e5a..0b23e567a 100644
--- a/include/openmc/dagmc.h
+++ b/include/openmc/dagmc.h
@@ -42,7 +42,7 @@ public:
   double evaluate(Position r) const override;
   double distance(Position r, Direction u, bool coincident) const override;
   Direction normal(Position r) const override;
-  Direction reflect(Position r, Direction u, Particle* p) const override;
+  Direction reflect(Position r, Direction u, GeometryState* p) const override;
 
   inline void to_hdf5_inner(hid_t group_id) const override {};
 
@@ -63,8 +63,8 @@ public:
 
   bool contains(Position r, Direction u, int32_t on_surface) const override;
 
-  std::pair<double, int32_t> distance(
-    Position r, Direction u, int32_t on_surface, Particle* p) const override;
+  std::pair<double, int32_t> distance(Position r, Direction u,
+    int32_t on_surface, GeometryState* p) const override;
 
   BoundingBox bounding_box() const override;
 
@@ -143,7 +143,7 @@ public:
   //! string of the ID ranges for entities of dimension \p dim
   std::string dagmc_ids_for_dim(int dim) const;
 
-  bool find_cell(Particle& p) const override;
+  bool find_cell(GeometryState& p) const override;
 
   void to_hdf5(hid_t universes_group) const override;
 
diff --git a/include/openmc/geometry.h b/include/openmc/geometry.h
index 001e58c4c..107cc7d1f 100644
--- a/include/openmc/geometry.h
+++ b/include/openmc/geometry.h
@@ -11,7 +11,7 @@
 namespace openmc {
 
 class BoundaryInfo;
-class Particle;
+class GeometryState;
 
 //==============================================================================
 // Global variables
@@ -39,7 +39,7 @@ inline bool coincident(double d1, double d2)
 //! Check for overlapping cells at a particle's position.
 //==============================================================================
 
-bool check_cell_overlap(Particle& p, bool error = true);
+bool check_cell_overlap(GeometryState& p, bool error = true);
 
 //==============================================================================
 //! Get the cell instance for a particle at the specified universe level
@@ -50,7 +50,7 @@ bool check_cell_overlap(Particle& p, bool error = true);
 //! should be computed. \return The instance of the cell at the specified level.
 //==============================================================================
 
-int cell_instance_at_level(const Particle& p, int level);
+int cell_instance_at_level(const GeometryState& p, int level);
 
 //==============================================================================
 //! Locate a particle in the geometry tree and set its geometry data fields.
@@ -60,20 +60,22 @@ int cell_instance_at_level(const Particle& p, int level);
 //! \return True if the particle's location could be found and ascribed to a
 //!   valid geometry coordinate stack.
 //==============================================================================
-bool exhaustive_find_cell(Particle& p);
-bool neighbor_list_find_cell(Particle& p); // Only usable on surface crossings
+bool exhaustive_find_cell(GeometryState& p, bool verbose = false);
+bool neighbor_list_find_cell(
+  GeometryState& p, bool verbose = false); // Only usable on surface crossings
 
 //==============================================================================
 //! Move a particle into a new lattice tile.
 //==============================================================================
 
-void cross_lattice(Particle& p, const BoundaryInfo& boundary);
+void cross_lattice(
+  GeometryState& p, const BoundaryInfo& boundary, bool verbose = false);
 
 //==============================================================================
 //! Find the next boundary a particle will intersect.
 //==============================================================================
 
-BoundaryInfo distance_to_boundary(Particle& p);
+BoundaryInfo distance_to_boundary(GeometryState& p);
 
 } // namespace openmc
 
diff --git a/include/openmc/particle.h b/include/openmc/particle.h
index 80a561f4d..e423880f8 100644
--- a/include/openmc/particle.h
+++ b/include/openmc/particle.h
@@ -5,7 +5,6 @@
 //! \brief Particle type
 
 #include <cstdint>
-#include <sstream>
 #include <string>
 
 #include "openmc/constants.h"
@@ -103,17 +102,8 @@ public:
 
   //! mark a particle as lost and create a particle restart file
   //! \param message A warning message to display
-  void mark_as_lost(const char* message);
-
-  void mark_as_lost(const std::string& message)
-  {
-    mark_as_lost(message.c_str());
-  }
-
-  void mark_as_lost(const std::stringstream& message)
-  {
-    mark_as_lost(message.str());
-  }
+  virtual void mark_as_lost(const char* message) override;
+  using GeometryState::mark_as_lost;
 
   //! create a particle restart HDF5 file
   void write_restart() const;
diff --git a/include/openmc/particle_data.h b/include/openmc/particle_data.h
index 37eb05bdb..cb68fc457 100644
--- a/include/openmc/particle_data.h
+++ b/include/openmc/particle_data.h
@@ -194,6 +194,157 @@ struct BoundaryInfo {
     lattice_translation {}; //!< which way lattice indices will change
 };
 
+/*
+ * Contains all geometry state information for a particle.
+ */
+class GeometryState {
+public:
+  GeometryState();
+
+  /*
+   * GeometryState does not store any ID info, so give some reasonable behavior
+   * here. The Particle class redefines this. This is only here for the error
+   * reporting behavior that occurs in geometry.cpp. The explanation for
+   * mark_as_lost is the same.
+   */
+  virtual void mark_as_lost(const char* message);
+  void mark_as_lost(const std::string& message);
+  void mark_as_lost(const std::stringstream& message);
+
+  // resets all coordinate levels for the particle
+  void clear()
+  {
+    for (auto& level : coord_)
+      level.reset();
+    n_coord_ = 1;
+  }
+
+  // Initialize all internal state from position and direction
+  void init_from_r_u(Position r_a, Direction u_a)
+  {
+    clear();
+    surface() = 0;
+    material() = C_NONE;
+    r() = r_a;
+    u() = u_a;
+    r_last_current() = r_a;
+    r_last() = r_a;
+    u_last() = u_a;
+  }
+
+  // Unique ID. This is not geometric info, but the
+  // error reporting in geometry.cpp requires this.
+  // We could save this to implement it in Particle,
+  // but that would require virtuals.
+  int64_t& id() { return id_; }
+  const int64_t& id() const { return id_; }
+
+  // Number of current coordinate levels
+  int& n_coord() { return n_coord_; }
+  const int& n_coord() const { return n_coord_; }
+
+  // Offset for distributed properties
+  int& cell_instance() { return cell_instance_; }
+  const int& cell_instance() const { return cell_instance_; }
+
+  // Coordinates for all nesting levels
+  LocalCoord& coord(int i) { return coord_[i]; }
+  const LocalCoord& coord(int i) const { return coord_[i]; }
+  const vector<LocalCoord>& coord() const { return coord_; }
+
+  // Innermost universe nesting coordinates
+  LocalCoord& lowest_coord() { return coord_[n_coord_ - 1]; }
+  const LocalCoord& lowest_coord() const { return coord_[n_coord_ - 1]; }
+
+  // Last coordinates on all nesting levels, before crossing a surface
+  int& n_coord_last() { return n_coord_last_; }
+  const int& n_coord_last() const { return n_coord_last_; }
+  int& cell_last(int i) { return cell_last_[i]; }
+  const int& cell_last(int i) const { return cell_last_[i]; }
+
+  // Coordinates of last collision or reflective/periodic surface
+  // crossing for current tallies
+  Position& r_last_current() { return r_last_current_; }
+  const Position& r_last_current() const { return r_last_current_; }
+
+  // Previous direction and spatial coordinates before a collision
+  Position& r_last() { return r_last_; }
+  const Position& r_last() const { return r_last_; }
+  Position& u_last() { return u_last_; }
+  const Position& u_last() const { return u_last_; }
+
+  // Accessors for position in global coordinates
+  Position& r() { return coord_[0].r; }
+  const Position& r() const { return coord_[0].r; }
+
+  // Accessors for position in local coordinates
+  Position& r_local() { return coord_[n_coord_ - 1].r; }
+  const Position& r_local() const { return coord_[n_coord_ - 1].r; }
+
+  // Accessors for direction in global coordinates
+  Direction& u() { return coord_[0].u; }
+  const Direction& u() const { return coord_[0].u; }
+
+  // Accessors for direction in local coordinates
+  Direction& u_local() { return coord_[n_coord_ - 1].u; }
+  const Direction& u_local() const { return coord_[n_coord_ - 1].u; }
+
+  // Surface that the particle is on
+  int& surface() { return surface_; }
+  const int& surface() const { return surface_; }
+
+  // Boundary information
+  BoundaryInfo& boundary() { return boundary_; }
+
+#ifdef DAGMC
+  // DagMC state variables
+  moab::DagMC::RayHistory& history() { return history_; }
+  Direction& last_dir() { return last_dir_; }
+#endif
+
+  // material of current and last cell
+  int& material() { return material_; }
+  const int& material() const { return material_; }
+  int& material_last() { return material_last_; }
+  const int& material_last() const { return material_last_; }
+
+  // temperature of current and last cell
+  double& sqrtkT() { return sqrtkT_; }
+  const double& sqrtkT() const { return sqrtkT_; }
+  double& sqrtkT_last() { return sqrtkT_last_; }
+
+private:
+  int64_t id_ {-1}; //!< Unique ID
+
+  int n_coord_ {1};          //!< number of current coordinate levels
+  int cell_instance_;        //!< offset for distributed properties
+  vector<LocalCoord> coord_; //!< coordinates for all levels
+
+  int n_coord_last_ {1};  //!< number of current coordinates
+  vector<int> cell_last_; //!< coordinates for all levels
+
+  Position r_last_current_; //!< coordinates of the last collision or
+                            //!< reflective/periodic surface crossing for
+                            //!< current tallies
+  Position r_last_;         //!< previous coordinates
+  Direction u_last_;        //!< previous direction coordinates
+
+  int surface_ {0}; //!< index for surface particle is on
+
+  BoundaryInfo boundary_; //!< Info about the next intersection
+
+  int material_ {-1};      //!< index for current material
+  int material_last_ {-1}; //!< index for last material
+
+  double sqrtkT_ {-1.0};     //!< sqrt(k_Boltzmann * temperature) in eV
+  double sqrtkT_last_ {0.0}; //!< last temperature
+
+#ifdef DAGMC
+  moab::DagMC::RayHistory history_;
+  Direction last_dir_;
+#endif
+};
+
 //============================================================================
 //! Defines how particle data is laid out in memory
 //============================================================================
@@ -229,163 +380,112 @@ struct BoundaryInfo {
  *   Algorithms.” Annals of Nuclear Energy 113 (March 2018): 506–18.
  *   https://doi.org/10.1016/j.anucene.2017.11.032.
  */
-class ParticleData {
-public:
-  //----------------------------------------------------------------------------
-  // Constructors
-  ParticleData();
-
+class ParticleData : public GeometryState {
 private:
   //==========================================================================
-  // Data members (accessor methods are below)
+  // Data members -- see public: below for descriptions
 
-  // Cross section caches
-  vector<NuclideMicroXS> neutron_xs_; //!< Microscopic neutron cross sections
-  vector<ElementMicroXS> photon_xs_;  //!< Microscopic photon cross sections
-  MacroXS macro_xs_;                  //!< Macroscopic cross sections
-  CacheDataMG mg_xs_cache_;           //!< Multigroup XS cache
+  vector<NuclideMicroXS> neutron_xs_;
+  vector<ElementMicroXS> photon_xs_;
+  MacroXS macro_xs_;
+  CacheDataMG mg_xs_cache_;
 
-  int64_t id_;                                //!< Unique ID
-  ParticleType type_ {ParticleType::neutron}; //!< Particle type (n, p, e, etc.)
+  ParticleType type_ {ParticleType::neutron};
 
-  int n_coord_ {1};          //!< number of current coordinate levels
-  int cell_instance_;        //!< offset for distributed properties
-  vector<LocalCoord> coord_; //!< coordinates for all levels
+  double E_;
+  double E_last_;
+  int g_ {0};
+  int g_last_;
 
-  // Particle coordinates before crossing a surface
-  int n_coord_last_ {1};  //!< number of current coordinates
-  vector<int> cell_last_; //!< coordinates for all levels
+  double wgt_ {1.0};
+  double mu_;
+  double time_ {0.0};
+  double time_last_ {0.0};
+  double wgt_last_ {1.0};
 
-  // Energy data
-  double E_;       //!< post-collision energy in eV
-  double E_last_;  //!< pre-collision energy in eV
-  int g_ {C_NONE}; //!< post-collision energy group (MG only)
-  int g_last_;     //!< pre-collision energy group (MG only)
+  bool fission_ {false};
+  TallyEvent event_;
+  int event_nuclide_;
+  int event_mt_;
+  int delayed_group_ {0};
 
-  // Other physical data
-  double wgt_ {1.0};       //!< particle weight
-  double mu_;              //!< angle of scatter
-  double time_ {0.0};      //!< time in [s]
-  double time_last_ {0.0}; //!< previous time in [s]
+  int n_bank_ {0};
+  int n_bank_second_ {0};
+  double wgt_bank_ {0.0};
+  int n_delayed_bank_[MAX_DELAYED_GROUPS];
 
-  // Other physical data
-  Position r_last_current_; //!< coordinates of the last collision or
-                            //!< reflective/periodic surface crossing for
-                            //!< current tallies
-  Position r_last_;         //!< previous coordinates
-  Direction u_last_;        //!< previous direction coordinates
-  double wgt_last_ {1.0};   //!< pre-collision particle weight
+  int cell_born_ {-1};
 
-  // What event took place
-  bool fission_ {false};  //!< did particle cause implicit fission
-  TallyEvent event_;      //!< scatter, absorption
-  int event_nuclide_;     //!< index in nuclides array
-  int event_mt_;          //!< reaction MT
-  int delayed_group_ {0}; //!< delayed group
+  int n_collision_ {0};
 
-  // Post-collision physical data
-  int n_bank_ {0};        //!< number of fission sites banked
-  int n_bank_second_ {0}; //!< number of secondary particles banked
-  double wgt_bank_ {0.0}; //!< weight of fission sites banked
-  int n_delayed_bank_[MAX_DELAYED_GROUPS]; //!< number of delayed fission
-                                           //!< sites banked
-
-  // Indices for various arrays
-  int surface_ {0};        //!< index for surface particle is on
-  int cell_born_ {-1};     //!< index for cell particle was born in
-  int material_ {-1};      //!< index for current material
-  int material_last_ {-1}; //!< index for last material
-
-  // Boundary information
-  BoundaryInfo boundary_;
-
-  // Temperature of current cell
-  double sqrtkT_ {-1.0};     //!< sqrt(k_Boltzmann * temperature) in eV
-  double sqrtkT_last_ {0.0}; //!< last temperature
-
-  // Statistical data
-  int n_collision_ {0}; //!< number of collisions
-
-  // Track output
   bool write_track_ {false};
 
-  // Current PRNG state
-  uint64_t seeds_[N_STREAMS]; // current seeds
-  int stream_;                // current RNG stream
+  uint64_t seeds_[N_STREAMS];
+  int stream_;
 
-  // Secondary particle bank
   vector<SourceSite> secondary_bank_;
 
-  int64_t current_work_; // current work index
+  int64_t current_work_;
 
-  vector<double> flux_derivs_; // for derivatives for this particle
+  vector<double> flux_derivs_;
 
-  vector<FilterMatch> filter_matches_; // tally filter matches
+  vector<FilterMatch> filter_matches_;
 
-  vector<TrackStateHistory> tracks_; // tracks for outputting to file
+  vector<TrackStateHistory> tracks_;
 
-  vector<NuBank> nu_bank_; // bank of most recently fissioned particles
+  vector<NuBank> nu_bank_;
 
-  vector<double> pht_storage_; // interim pulse-height results
+  vector<double> pht_storage_;
 
-  // Global tally accumulators
   double keff_tally_absorption_ {0.0};
   double keff_tally_collision_ {0.0};
   double keff_tally_tracklength_ {0.0};
   double keff_tally_leakage_ {0.0};
 
-  bool trace_ {false}; //!< flag to show debug information
+  bool trace_ {false};
 
-  double collision_distance_; // distance to particle's next closest collision
+  double collision_distance_;
 
-  int n_event_ {0}; // number of events executed in this particle's history
+  int n_event_ {0};
 
-  // Weight window information
-  int n_split_ {0}; // Number of times this particle has been split
-  double ww_factor_ {
-    0.0}; // Particle-specific factor for on-the-fly weight window adjustment
+  int n_split_ {0};
+  double ww_factor_ {0.0};
 
-// DagMC state variables
-#ifdef DAGMC
-  moab::DagMC::RayHistory history_;
-  Direction last_dir_;
-#endif
-
-  int64_t n_progeny_ {0}; // Number of progeny produced by this particle
+  int64_t n_progeny_ {0};
 
 public:
+  //----------------------------------------------------------------------------
+  // Constructors
+  ParticleData();
+
   //==========================================================================
   // Methods and accessors
 
-  NuclideMicroXS& neutron_xs(int i) { return neutron_xs_[i]; }
+  // Cross section caches
+  NuclideMicroXS& neutron_xs(int i)
+  {
+    return neutron_xs_[i];
+  } // Microscopic neutron cross sections
   const NuclideMicroXS& neutron_xs(int i) const { return neutron_xs_[i]; }
+
+  // Microscopic photon cross sections
   ElementMicroXS& photon_xs(int i) { return photon_xs_[i]; }
+
+  // Macroscopic cross sections
   MacroXS& macro_xs() { return macro_xs_; }
   const MacroXS& macro_xs() const { return macro_xs_; }
+
+  // Multigroup macroscopic cross sections
   CacheDataMG& mg_xs_cache() { return mg_xs_cache_; }
   const CacheDataMG& mg_xs_cache() const { return mg_xs_cache_; }
 
-  int64_t& id() { return id_; }
-  const int64_t& id() const { return id_; }
+  // Particle type (n, p, e, gamma, etc)
   ParticleType& type() { return type_; }
   const ParticleType& type() const { return type_; }
 
-  int& n_coord() { return n_coord_; }
-  const int& n_coord() const { return n_coord_; }
-  int& cell_instance() { return cell_instance_; }
-  const int& cell_instance() const { return cell_instance_; }
-  LocalCoord& coord(int i) { return coord_[i]; }
-  const LocalCoord& coord(int i) const { return coord_[i]; }
-  const vector<LocalCoord>& coord() const { return coord_; }
-
-  LocalCoord& lowest_coord() { return coord_[n_coord_ - 1]; }
-  const LocalCoord& lowest_coord() const { return coord_[n_coord_ - 1]; }
-
-  int& n_coord_last() { return n_coord_last_; }
-  const int& n_coord_last() const { return n_coord_last_; }
-  int& cell_last(int i) { return cell_last_[i]; }
-  const int& cell_last(int i) const { return cell_last_[i]; }
-
+  // Current particle energy, energy before collision,
+  // and corresponding multigroup group indices. Energy
+  // units are eV.
   double& E() { return E_; }
   const double& E() const { return E_; }
   double& E_last() { return E_last_; }
@@ -395,113 +495,119 @@ public:
   int& g_last() { return g_last_; }
   const int& g_last() const { return g_last_; }
 
+  // Statistic weight of particle. Setting to zero
+  // indicates that the particle is dead.
   double& wgt() { return wgt_; }
   double wgt() const { return wgt_; }
+  double& wgt_last() { return wgt_last_; }
+  const double& wgt_last() const { return wgt_last_; }
+  bool alive() const { return wgt_ != 0.0; }
+
+  // Polar scattering angle after a collision
   double& mu() { return mu_; }
   const double& mu() const { return mu_; }
+
+  // Tracks the time of a particle as it traverses the problem.
+  // Units are seconds.
   double& time() { return time_; }
   const double& time() const { return time_; }
   double& time_last() { return time_last_; }
   const double& time_last() const { return time_last_; }
-  bool alive() const { return wgt_ != 0.0; }
 
-  Position& r_last_current() { return r_last_current_; }
-  const Position& r_last_current() const { return r_last_current_; }
-  Position& r_last() { return r_last_; }
-  const Position& r_last() const { return r_last_; }
-  Position& u_last() { return u_last_; }
-  const Position& u_last() const { return u_last_; }
-  double& wgt_last() { return wgt_last_; }
-  const double& wgt_last() const { return wgt_last_; }
-
-  bool& fission() { return fission_; }
+  // What event took place, described in greater detail below
   TallyEvent& event() { return event_; }
   const TallyEvent& event() const { return event_; }
-  int& event_nuclide() { return event_nuclide_; }
+  bool& fission() { return fission_; }            // true if implicit fission
+  int& event_nuclide() { return event_nuclide_; } // index of collision nuclide
   const int& event_nuclide() const { return event_nuclide_; }
-  int& event_mt() { return event_mt_; }
-  int& delayed_group() { return delayed_group_; }
+  int& event_mt() { return event_mt_; }           // MT number of collision
+  int& delayed_group() { return delayed_group_; } // delayed group
 
-  int& n_bank() { return n_bank_; }
-  int& n_bank_second() { return n_bank_second_; }
-  double& wgt_bank() { return wgt_bank_; }
-  int* n_delayed_bank() { return n_delayed_bank_; }
-  int& n_delayed_bank(int i) { return n_delayed_bank_[i]; }
+  // Post-collision data
+  int& n_bank() { return n_bank_; } // number of banked fission sites
+  int& n_bank_second()
+  {
+    return n_bank_second_;
+  }                                        // number of secondaries banked
+  double& wgt_bank() { return wgt_bank_; } // weight of banked fission sites
+  int* n_delayed_bank()
+  {
+    return n_delayed_bank_;
+  } // number of delayed fission sites
+  int& n_delayed_bank(int i)
+  {
+    return n_delayed_bank_[i];
+  } // number of delayed fission sites
 
-  int& surface() { return surface_; }
-  const int& surface() const { return surface_; }
+  // Index of cell particle is born in
   int& cell_born() { return cell_born_; }
   const int& cell_born() const { return cell_born_; }
-  int& material() { return material_; }
-  const int& material() const { return material_; }
-  int& material_last() { return material_last_; }
-  const int& material_last() const { return material_last_; }
-
-  BoundaryInfo& boundary() { return boundary_; }
-
-  double& sqrtkT() { return sqrtkT_; }
-  const double& sqrtkT() const { return sqrtkT_; }
-  double& sqrtkT_last() { return sqrtkT_last_; }
 
+  // index of the current and last material
+  // Total number of collisions suffered by particle
   int& n_collision() { return n_collision_; }
   const int& n_collision() const { return n_collision_; }
 
+  // whether this track is to be written
   bool& write_track() { return write_track_; }
+
+  // RNG state
   uint64_t& seeds(int i) { return seeds_[i]; }
   uint64_t* seeds() { return seeds_; }
   int& stream() { return stream_; }
 
+  // secondary particle bank
   SourceSite& secondary_bank(int i) { return secondary_bank_[i]; }
   decltype(secondary_bank_)& secondary_bank() { return secondary_bank_; }
+
+  // Current simulation work index
   int64_t& current_work() { return current_work_; }
   const int64_t& current_work() const { return current_work_; }
+
+  // Used in tally derivatives
   double& flux_derivs(int i) { return flux_derivs_[i]; }
   const double& flux_derivs(int i) const { return flux_derivs_[i]; }
+
+  // Matches of tallies
   decltype(filter_matches_)& filter_matches() { return filter_matches_; }
   FilterMatch& filter_matches(int i) { return filter_matches_[i]; }
+
+  // Tracks to output to file
   decltype(tracks_)& tracks() { return tracks_; }
+
+  // Bank of recently fissioned particles
   decltype(nu_bank_)& nu_bank() { return nu_bank_; }
   NuBank& nu_bank(int i) { return nu_bank_[i]; }
+
+  // Interim pulse height tally storage
   vector<double>& pht_storage() { return pht_storage_; }
 
+  // Global tally accumulators
   double& keff_tally_absorption() { return keff_tally_absorption_; }
   double& keff_tally_collision() { return keff_tally_collision_; }
   double& keff_tally_tracklength() { return keff_tally_tracklength_; }
   double& keff_tally_leakage() { return keff_tally_leakage_; }
 
+  // Shows debug info
   bool& trace() { return trace_; }
+
+  // Distance to the next collision
   double& collision_distance() { return collision_distance_; }
+
+  // Number of events particle has undergone
   int& n_event() { return n_event_; }
 
+  // Number of times variance reduction has caused a particle split
   int n_split() const { return n_split_; }
   int& n_split() { return n_split_; }
 
+  // Particle-specific factor for on-the-fly weight window adjustment
   double ww_factor() const { return ww_factor_; }
   double& ww_factor() { return ww_factor_; }
 
-#ifdef DAGMC
-  moab::DagMC::RayHistory& history() { return history_; }
-  Direction& last_dir() { return last_dir_; }
-#endif
-
+  // Number of progeny produced by this particle
   int64_t& n_progeny() { return n_progeny_; }
 
-  // Accessors for position in global coordinates
-  Position& r() { return coord_[0].r; }
-  const Position& r() const { return coord_[0].r; }
-
-  // Accessors for position in local coordinates
-  Position& r_local() { return coord_[n_coord_ - 1].r; }
-  const Position& r_local() const { return coord_[n_coord_ - 1].r; }
-
-  // Accessors for direction in global coordinates
-  Direction& u() { return coord_[0].u; }
-  const Direction& u() const { return coord_[0].u; }
-
-  // Accessors for direction in local coordinates
-  Direction& u_local() { return coord_[n_coord_ - 1].u; }
-  const Direction& u_local() const { return coord_[n_coord_ - 1].u; }
-
   //! Gets the pointer to the particle's current PRN seed
   uint64_t* current_seed() { return seeds_ + stream_; }
   const uint64_t* current_seed() const { return seeds_ + stream_; }
@@ -513,14 +619,6 @@ public:
       micro.last_E = 0.0;
   }
 
-  //! resets all coordinate levels for the particle
-  void clear()
-  {
-    for (auto& level : coord_)
-      level.reset();
-    n_coord_ = 1;
-  }
-
   //! Get track information based on particle's current state
   TrackState get_track_state() const;
 
diff --git a/include/openmc/plot.h b/include/openmc/plot.h
index ba82f43e2..7b66036fb 100644
--- a/include/openmc/plot.h
+++ b/include/openmc/plot.h
@@ -121,7 +121,7 @@ struct IdData {
   IdData(size_t h_res, size_t v_res);
 
   // Methods
-  void set_value(size_t y, size_t x, const Particle& p, int level);
+  void set_value(size_t y, size_t x, const GeometryState& p, int level);
   void set_overlap(size_t y, size_t x);
 
   // Members
@@ -133,7 +133,7 @@ struct PropertyData {
   PropertyData(size_t h_res, size_t v_res);
 
   // Methods
-  void set_value(size_t y, size_t x, const Particle& p, int level);
+  void set_value(size_t y, size_t x, const GeometryState& p, int level);
   void set_overlap(size_t y, size_t x);
 
   // Members
@@ -205,7 +205,7 @@ T SlicePlotBase::get_map() const
 
 #pragma omp parallel
   {
-    Particle p;
+    GeometryState p;
     p.r() = xyz;
     p.u() = dir;
     p.coord(0).universe = model::root_universe;
@@ -291,7 +291,7 @@ private:
    * find a distance to the boundary in a non-standard surface intersection
    * check. It's an exhaustive search over surfaces in the top-level universe.
    */
-  static int advance_to_boundary_from_void(Particle& p);
+  static int advance_to_boundary_from_void(GeometryState& p);
 
   /* Checks if a vector of two TrackSegments is equivalent. We define this
    * to mean not having matching intersection lengths, but rather having
diff --git a/include/openmc/surface.h b/include/openmc/surface.h
index 3bb84c6e0..350775123 100644
--- a/include/openmc/surface.h
+++ b/include/openmc/surface.h
@@ -105,12 +105,13 @@ public:
   //! Determine the direction of a ray reflected from the surface.
   //! \param[in] r The point at which the ray is incident.
   //! \param[in] u Incident direction of the ray
-  //! \param[inout] p Pointer to the particle
+  //! \param[inout] p Pointer to the particle. Only DAGMC uses this.
   //! \return Outgoing direction of the ray
-  virtual Direction reflect(Position r, Direction u, Particle* p) const;
+  virtual Direction reflect(
+    Position r, Direction u, GeometryState* p = nullptr) const;
 
   virtual Direction diffuse_reflect(
-    Position r, Direction u, uint64_t* seed) const;
+    Position r, Direction u, uint64_t* seed, GeometryState* p = nullptr) const;
 
   //! Evaluate the equation describing the surface.
   //!
diff --git a/include/openmc/universe.h b/include/openmc/universe.h
index b98d2d57f..26f33cb38 100644
--- a/include/openmc/universe.h
+++ b/include/openmc/universe.h
@@ -9,6 +9,7 @@ namespace openmc {
 class DAGUniverse;
 #endif
 
+class GeometryState;
 class Universe;
 class UniversePartitioner;
 
@@ -32,7 +33,7 @@ public:
   //! \param group_id An HDF5 group id.
   virtual void to_hdf5(hid_t group_id) const;
 
-  virtual bool find_cell(Particle& p) const;
+  virtual bool find_cell(GeometryState& p) const;
 
   BoundingBox bounding_box() const;
 
diff --git a/src/cell.cpp b/src/cell.cpp
index cba52f1b5..00083d967 100644
--- a/src/cell.cpp
+++ b/src/cell.cpp
@@ -784,7 +784,7 @@ std::string Region::str() const
 //==============================================================================
 
 std::pair<double, int32_t> Region::distance(
-  Position r, Direction u, int32_t on_surface, Particle* p) const
+  Position r, Direction u, int32_t on_surface) const
 {
   double min_dist {INFTY};
   int32_t i_surf {std::numeric_limits<int32_t>::max()};
@@ -1301,14 +1301,15 @@ vector<ParentCell> Cell::find_parent_cells(
 {
 
   // create a temporary particle
-  Particle dummy_particle {};
+  GeometryState dummy_particle {};
   dummy_particle.r() = r;
   dummy_particle.u() = {0., 0., 1.};
 
   return find_parent_cells(instance, dummy_particle);
 }
 
-vector<ParentCell> Cell::find_parent_cells(int32_t instance, Particle& p) const
+vector<ParentCell> Cell::find_parent_cells(
+  int32_t instance, GeometryState& p) const
 {
   // look up the particle's location
   exhaustive_find_cell(p);
diff --git a/src/dagmc.cpp b/src/dagmc.cpp
index 4ffe4e652..561fdca81 100644
--- a/src/dagmc.cpp
+++ b/src/dagmc.cpp
@@ -404,7 +404,7 @@ int32_t DAGUniverse::implicit_complement_idx() const
   return cell_idx_offset_ + dagmc_instance_->index_by_handle(ic) - 1;
 }
 
-bool DAGUniverse::find_cell(Particle& p) const
+bool DAGUniverse::find_cell(GeometryState& p) const
 {
   // if the particle isn't in any of the other DagMC
   // cells, place it in the implicit complement
@@ -583,9 +583,8 @@ DAGCell::DAGCell(std::shared_ptr<moab::DagMC> dag_ptr, int32_t dag_idx)
 };
 
 std::pair<double, int32_t> DAGCell::distance(
-  Position r, Direction u, int32_t on_surface, Particle* p) const
+  Position r, Direction u, int32_t on_surface, GeometryState* p) const
 {
-  Expects(p);
   // if we've changed direction or we're not on a surface,
   // reset the history and update last direction
   if (u != p->last_dir()) {
@@ -635,10 +634,9 @@ std::pair<double, int32_t> DAGCell::distance(
       p->material() == MATERIAL_VOID
         ? "-1 (VOID)"
         : std::to_string(model::materials[p->material()]->id());
-    auto lost_particle_msg = fmt::format(
+    p->mark_as_lost(fmt::format(
       "No intersection found with DAGMC cell {}, filled with material {}", id_,
-      material_id);
-    p->mark_as_lost(lost_particle_msg);
+      material_id));
   }
 
   return {dist, surf_idx};
@@ -723,7 +721,7 @@ Direction DAGSurface::normal(Position r) const
   return dir;
 }
 
-Direction DAGSurface::reflect(Position r, Direction u, Particle* p) const
+Direction DAGSurface::reflect(Position r, Direction u, GeometryState* p) const
 {
   Expects(p);
   p->history().reset_to_last_intersection();
diff --git a/src/geometry.cpp b/src/geometry.cpp
index 47152e172..a16addd48 100644
--- a/src/geometry.cpp
+++ b/src/geometry.cpp
@@ -32,7 +32,7 @@ vector<int64_t> overlap_check_count;
 // Non-member functions
 //==============================================================================
 
-bool check_cell_overlap(Particle& p, bool error)
+bool check_cell_overlap(GeometryState& p, bool error)
 {
   int n_coord = p.n_coord();
 
@@ -63,7 +63,7 @@ bool check_cell_overlap(Particle& p, bool error)
 
 //==============================================================================
 
-int cell_instance_at_level(const Particle& p, int level)
+int cell_instance_at_level(const GeometryState& p, int level)
 {
   // throw error if the requested level is too deep for the geometry
   if (level > model::n_coord_levels) {
@@ -99,7 +99,8 @@ int cell_instance_at_level(const Particle& p, int level)
 
 //==============================================================================
 
-bool find_cell_inner(Particle& p, const NeighborList* neighbor_list)
+bool find_cell_inner(
+  GeometryState& p, const NeighborList* neighbor_list, bool verbose)
 {
   // Find which cell of this universe the particle is in.  Use the neighbor list
   // to shorten the search if one was provided.
@@ -156,7 +157,7 @@ bool find_cell_inner(Particle& p, const NeighborList* neighbor_list)
     i_cell = p.lowest_coord().cell;
 
     // Announce the cell that the particle is entering.
-    if (found && (settings::verbosity >= 10 || p.trace())) {
+    if (found && verbose) {
       auto msg = fmt::format("    Entering cell {}", model::cells[i_cell]->id_);
       write_message(msg, 1);
     }
@@ -243,10 +244,9 @@ bool find_cell_inner(Particle& p, const NeighborList* neighbor_list)
         if (lat.outer_ != NO_OUTER_UNIVERSE) {
           coord.universe = lat.outer_;
         } else {
-          warning(fmt::format("Particle {} is outside lattice {} but the "
-                              "lattice has no defined outer universe.",
+          p.mark_as_lost(fmt::format(
+            "Particle {} left lattice {}, but it has no outer definition.",
             p.id(), lat.id_));
-          return false;
         }
       }
     }
@@ -259,7 +259,7 @@ bool find_cell_inner(Particle& p, const NeighborList* neighbor_list)
 
 //==============================================================================
 
-bool neighbor_list_find_cell(Particle& p)
+bool neighbor_list_find_cell(GeometryState& p, bool verbose)
 {
 
   // Reset all the deeper coordinate levels.
@@ -274,20 +274,20 @@ bool neighbor_list_find_cell(Particle& p)
 
   // Search for the particle in that cell's neighbor list.  Return if we
   // found the particle.
-  bool found = find_cell_inner(p, &c.neighbors_);
+  bool found = find_cell_inner(p, &c.neighbors_, verbose);
   if (found)
     return found;
 
   // The particle could not be found in the neighbor list.  Try searching all
   // cells in this universe, and update the neighbor list if we find a new
   // neighboring cell.
-  found = find_cell_inner(p, nullptr);
+  found = find_cell_inner(p, nullptr, verbose);
   if (found)
     c.neighbors_.push_back(p.coord(coord_lvl).cell);
   return found;
 }
 
-bool exhaustive_find_cell(Particle& p)
+bool exhaustive_find_cell(GeometryState& p, bool verbose)
 {
   int i_universe = p.lowest_coord().universe;
   if (i_universe == C_NONE) {
@@ -299,17 +299,17 @@ bool exhaustive_find_cell(Particle& p)
   for (int i = p.n_coord(); i < model::n_coord_levels; i++) {
     p.coord(i).reset();
   }
-  return find_cell_inner(p, nullptr);
+  return find_cell_inner(p, nullptr, verbose);
 }
 
 //==============================================================================
 
-void cross_lattice(Particle& p, const BoundaryInfo& boundary)
+void cross_lattice(GeometryState& p, const BoundaryInfo& boundary, bool verbose)
 {
   auto& coord {p.lowest_coord()};
   auto& lat {*model::lattices[coord.lattice]};
 
-  if (settings::verbosity >= 10 || p.trace()) {
+  if (verbose) {
     write_message(
       fmt::format("    Crossing lattice {}. Current position ({},{},{}). r={}",
         lat.id_, coord.lattice_i[0], coord.lattice_i[1], coord.lattice_i[2],
@@ -336,10 +336,11 @@ void cross_lattice(Particle& p, const BoundaryInfo& boundary)
     // The particle is outside the lattice.  Search for it from the base coords.
     p.n_coord() = 1;
     bool found = exhaustive_find_cell(p);
-    if (!found && p.alive()) {
-      p.mark_as_lost(fmt::format("Could not locate particle {} after "
-                                 "crossing a lattice boundary",
-        p.id()));
+
+    if (!found) {
+      p.mark_as_lost(fmt::format("Particle {} could not be located after "
+                                 "crossing a boundary of lattice {}",
+        p.id(), lat.id_));
     }
 
   } else {
@@ -352,10 +353,10 @@ void cross_lattice(Particle& p, const BoundaryInfo& boundary)
       // this case, search for it from the base coords.
       p.n_coord() = 1;
       bool found = exhaustive_find_cell(p);
-      if (!found && p.alive()) {
-        p.mark_as_lost(fmt::format("Could not locate particle {} after "
-                                   "crossing a lattice boundary",
-          p.id()));
+      if (!found) {
+        p.mark_as_lost(fmt::format("Particle {} could not be located after "
+                                   "crossing a boundary of lattice {}",
+          p.id(), lat.id_));
       }
     }
   }
@@ -363,7 +364,7 @@ void cross_lattice(Particle& p, const BoundaryInfo& boundary)
 
 //==============================================================================
 
-BoundaryInfo distance_to_boundary(Particle& p)
+BoundaryInfo distance_to_boundary(GeometryState& p)
 {
   BoundaryInfo info;
   double d_lat = INFINITY;
@@ -408,8 +409,9 @@ BoundaryInfo distance_to_boundary(Particle& p)
       level_lat_trans = lattice_distance.second;
 
       if (d_lat < 0) {
-        p.mark_as_lost(fmt::format(
-          "Particle {} had a negative distance to a lattice boundary", p.id()));
+        p.mark_as_lost(fmt::format("Particle {} had a negative distance "
+                                   "to a lattice boundary.",
+          p.id()));
       }
     }
 
@@ -463,18 +465,19 @@ BoundaryInfo distance_to_boundary(Particle& p)
 extern "C" int openmc_find_cell(
   const double* xyz, int32_t* index, int32_t* instance)
 {
-  Particle p;
+  GeometryState geom_state;
 
-  p.r() = Position {xyz};
-  p.u() = {0.0, 0.0, 1.0};
+  geom_state.r() = Position {xyz};
+  geom_state.u() = {0.0, 0.0, 1.0};
 
-  if (!exhaustive_find_cell(p)) {
-    set_errmsg(fmt::format("Could not find cell at position {}.", p.r()));
+  if (!exhaustive_find_cell(geom_state)) {
+    set_errmsg(
+      fmt::format("Could not find cell at position {}.", geom_state.r()));
     return OPENMC_E_GEOMETRY;
   }
 
-  *index = p.lowest_coord().cell;
-  *instance = p.cell_instance();
+  *index = geom_state.lowest_coord().cell;
+  *instance = geom_state.cell_instance();
   return 0;
 }
 
diff --git a/src/particle.cpp b/src/particle.cpp
index 8992bc868..549de5cff 100644
--- a/src/particle.cpp
+++ b/src/particle.cpp
@@ -277,7 +277,9 @@ void Particle::event_cross_surface()
       boundary().lattice_translation[1] != 0 ||
       boundary().lattice_translation[2] != 0) {
     // Particle crosses lattice boundary
-    cross_lattice(*this, boundary());
+
+    bool verbose = settings::verbosity >= 10 || trace();
+    cross_lattice(*this, boundary(), verbose);
     event() = TallyEvent::LATTICE;
   } else {
     // Particle crosses surface
@@ -406,7 +408,8 @@ void Particle::event_revive_from_secondary()
       // have to determine it before the energy of the secondary particle can be
       // removed from the pulse-height of this cell.
       if (lowest_coord().cell == C_NONE) {
-        if (!exhaustive_find_cell(*this)) {
+        bool verbose = settings::verbosity >= 10 || trace();
+        if (!exhaustive_find_cell(*this, verbose)) {
           mark_as_lost("Could not find the cell containing particle " +
                        std::to_string(id()));
           return;
@@ -556,7 +559,8 @@ void Particle::cross_surface()
   }
 #endif
 
-  if (neighbor_list_find_cell(*this))
+  bool verbose = settings::verbosity >= 10 || trace();
+  if (neighbor_list_find_cell(*this, verbose))
     return;
 
   // ==========================================================================
@@ -564,7 +568,7 @@ void Particle::cross_surface()
 
   // Remove lower coordinate levels
   n_coord() = 1;
-  bool found = exhaustive_find_cell(*this);
+  bool found = exhaustive_find_cell(*this, verbose);
 
   if (settings::run_mode != RunMode::PLOTTING && (!found)) {
     // If a cell is still not found, there are two possible causes: 1) there is
@@ -579,7 +583,7 @@ void Particle::cross_surface()
     // Couldn't find next cell anywhere! This probably means there is an actual
     // undefined region in the geometry.
 
-    if (!exhaustive_find_cell(*this)) {
+    if (!exhaustive_find_cell(*this, verbose)) {
       mark_as_lost("After particle " + std::to_string(id()) +
                    " crossed surface " + std::to_string(surf->id_) +
                    " it could not be located in any cell and it did not leak.");
@@ -654,8 +658,8 @@ void Particle::cross_reflective_bc(const Surface& surf, Direction new_u)
   // (unless we're using a dagmc model, which has exactly one universe)
   n_coord() = 1;
   if (surf.geom_type_ != GeometryType::DAG && !neighbor_list_find_cell(*this)) {
-    this->mark_as_lost("Couldn't find particle after reflecting from surface " +
-                       std::to_string(surf.id_) + ".");
+    mark_as_lost("Couldn't find particle after reflecting from surface " +
+                 std::to_string(surf.id_) + ".");
     return;
   }
 
diff --git a/src/particle_data.cpp b/src/particle_data.cpp
index 0fc7202c5..d8a5bb9d9 100644
--- a/src/particle_data.cpp
+++ b/src/particle_data.cpp
@@ -1,6 +1,9 @@
 #include "openmc/particle_data.h"
 
+#include <sstream>
+
 #include "openmc/cell.h"
+#include "openmc/error.h"
 #include "openmc/geometry.h"
 #include "openmc/material.h"
 #include "openmc/nuclide.h"
@@ -12,6 +15,21 @@
 
 namespace openmc {
 
+void GeometryState::mark_as_lost(const std::string& message)
+{
+  mark_as_lost(message.c_str());
+}
+
+void GeometryState::mark_as_lost(const std::stringstream& message)
+{
+  mark_as_lost(message.str());
+}
+
+void GeometryState::mark_as_lost(const char* message)
+{
+  fatal_error(message);
+}
+
 void LocalCoord::rotate(const vector<double>& rotation)
 {
   r = r.rotate(rotation);
@@ -30,13 +48,16 @@ void LocalCoord::reset()
   rotated = false;
 }
 
-ParticleData::ParticleData()
+GeometryState::GeometryState()
 {
   // Create and clear coordinate levels
   coord_.resize(model::n_coord_levels);
   cell_last_.resize(model::n_coord_levels);
   clear();
+}
 
+ParticleData::ParticleData()
+{
   zero_delayed_bank();
 
   // Every particle starts with no accumulated flux derivative.  Note that in
diff --git a/src/plot.cpp b/src/plot.cpp
index 8d995b0a9..bf733cff4 100644
--- a/src/plot.cpp
+++ b/src/plot.cpp
@@ -45,7 +45,7 @@ constexpr int32_t OVERLAP {-3};
 IdData::IdData(size_t h_res, size_t v_res) : data_({v_res, h_res, 3}, NOT_FOUND)
 {}
 
-void IdData::set_value(size_t y, size_t x, const Particle& p, int level)
+void IdData::set_value(size_t y, size_t x, const GeometryState& p, int level)
 {
   // set cell data
   if (p.n_coord() <= level) {
@@ -78,7 +78,8 @@ PropertyData::PropertyData(size_t h_res, size_t v_res)
   : data_({v_res, h_res, 2}, NOT_FOUND)
 {}
 
-void PropertyData::set_value(size_t y, size_t x, const Particle& p, int level)
+void PropertyData::set_value(
+  size_t y, size_t x, const GeometryState& p, int level)
 {
   Cell* c = model::cells.at(p.lowest_coord().cell).get();
   data_(y, x, 0) = (p.sqrtkT() * p.sqrtkT()) / K_BOLTZMANN;
@@ -1084,7 +1085,7 @@ void ProjectionPlot::set_output_path(pugi::xml_node node)
 // Advances to the next boundary from outside the geometry
 // Returns -1 if no intersection found, and the surface index
 // if an intersection was found.
-int ProjectionPlot::advance_to_boundary_from_void(Particle& p)
+int ProjectionPlot::advance_to_boundary_from_void(GeometryState& p)
 {
   constexpr double scoot = 1e-5;
   double min_dist = {INFINITY};
@@ -1234,20 +1235,8 @@ void ProjectionPlot::create_output() const
     const int n_threads = num_threads();
     const int tid = thread_num();
 
-    SourceSite s; // Where particle starts from (camera)
-    s.E = 1;
-    s.wgt = 1;
-    s.delayed_group = 0;
-    s.particle = ParticleType::photon; // just has to be something reasonable
-    s.parent_id = 1;
-    s.progeny_id = 2;
-    s.r = camera_position_;
-
-    Particle p;
-    s.u.x = 1.0;
-    s.u.y = 0.0;
-    s.u.z = 0.0;
-    p.from_source(&s);
+    GeometryState p;
+    p.u() = {1.0, 0.0, 0.0};
 
     int vert = tid;
     for (int iter = 0; iter <= pixels_[1] / n_threads; iter++) {
@@ -1263,6 +1252,10 @@ void ProjectionPlot::create_output() const
 
         for (int horiz = 0; horiz < pixels_[0]; ++horiz) {
 
+          // Projection mode below decides ray starting conditions
+          Position init_r;
+          Direction init_u;
+
           // Generate the starting position/direction of the ray
           if (orthographic_width_ == 0.0) { // perspective projection
             double this_phi =
@@ -1273,18 +1266,22 @@ void ProjectionPlot::create_output() const
             camera_local_vec.x = std::cos(this_phi) * std::sin(this_mu);
             camera_local_vec.y = std::sin(this_phi) * std::sin(this_mu);
             camera_local_vec.z = std::cos(this_mu);
-            s.u = camera_local_vec.rotate(camera_to_model);
+            init_u = camera_local_vec.rotate(camera_to_model);
+            init_r = camera_position_;
           } else { // orthographic projection
-            s.u = looking_direction;
+            init_u = looking_direction;
 
             double x_pix_coord = (static_cast<double>(horiz) - p0 / 2.0) / p0;
             double y_pix_coord = (static_cast<double>(vert) - p1 / 2.0) / p0;
-            s.r = camera_position_ +
-                  cam_yaxis * x_pix_coord * orthographic_width_ +
-                  cam_zaxis * y_pix_coord * orthographic_width_;
+
+            init_r = camera_position_;
+            init_r += cam_yaxis * x_pix_coord * orthographic_width_;
+            init_r += cam_zaxis * y_pix_coord * orthographic_width_;
           }
 
-          p.from_source(&s); // put particle at camera
+          // Resets internal geometry state of particle
+          p.init_from_r_u(init_r, init_u);
+
           bool hitsomething = false;
           bool intersection_found = true;
           int loop_counter = 0;
diff --git a/src/surface.cpp b/src/surface.cpp
index 394a4b366..12fef070e 100644
--- a/src/surface.cpp
+++ b/src/surface.cpp
@@ -129,7 +129,7 @@ bool Surface::sense(Position r, Direction u) const
   return f > 0.0;
 }
 
-Direction Surface::reflect(Position r, Direction u, Particle* p) const
+Direction Surface::reflect(Position r, Direction u, GeometryState* p) const
 {
   // Determine projection of direction onto normal and squared magnitude of
   // normal.
@@ -140,7 +140,7 @@ Direction Surface::reflect(Position r, Direction u, Particle* p) const
 }
 
 Direction Surface::diffuse_reflect(
-  Position r, Direction u, uint64_t* seed) const
+  Position r, Direction u, uint64_t* seed, GeometryState* p) const
 {
   // Diffuse reflect direction according to the normal.
   // cosine distribution
diff --git a/src/universe.cpp b/src/universe.cpp
index 67e1d1354..b4ef6b4b2 100644
--- a/src/universe.cpp
+++ b/src/universe.cpp
@@ -3,6 +3,7 @@
 #include <set>
 
 #include "openmc/hdf5_interface.h"
+#include "openmc/particle.h"
 
 namespace openmc {
 
@@ -36,7 +37,7 @@ void Universe::to_hdf5(hid_t universes_group) const
   close_group(group);
 }
 
-bool Universe::find_cell(Particle& p) const
+bool Universe::find_cell(GeometryState& p) const
 {
   const auto& cells {
     !partitioner_ ? cells_ : partitioner_->get_cells(p.r_local(), p.u_local())};

From d7d2230e5f550473bb9121f12b04267c71c636ed Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 16 Jan 2024 11:12:44 -0600
Subject: [PATCH 2016/2654] Fix locating h5m files references in DAGMC
 universes (#2842)

---
 include/openmc/file_utils.h               |  5 +++
 src/dagmc.cpp                             |  5 ++-
 src/file_utils.cpp                        |  6 ++++
 src/finalize.cpp                          | 11 +++++++
 src/initialize.cpp                        | 18 ++++------
 tests/unit_tests/dagmc/test_h5m_subdir.py | 40 +++++++++++++++++++++++
 6 files changed, 70 insertions(+), 15 deletions(-)
 create mode 100644 tests/unit_tests/dagmc/test_h5m_subdir.py

diff --git a/include/openmc/file_utils.h b/include/openmc/file_utils.h
index 11b20b4aa..6e9812d5e 100644
--- a/include/openmc/file_utils.h
+++ b/include/openmc/file_utils.h
@@ -16,6 +16,11 @@ bool dir_exists(const std::string& path);
 //! \return Whether file exists
 bool file_exists(const std::string& filename);
 
+//! Determine directory containing given file
+//! \param[in] filename Path to file
+//! \return Name of directory containing file
+std::string dir_name(const std::string& filename);
+
 // Gets the file extension of whatever string is passed in. This is defined as
 // a sequence of strictly alphanumeric characters which follow the last period,
 // i.e. at least one alphabet character is present, and zero or more numbers.
diff --git a/src/dagmc.cpp b/src/dagmc.cpp
index 561fdca81..56722fde6 100644
--- a/src/dagmc.cpp
+++ b/src/dagmc.cpp
@@ -49,8 +49,8 @@ DAGUniverse::DAGUniverse(pugi::xml_node node)
 
   if (check_for_node(node, "filename")) {
     filename_ = get_node_value(node, "filename");
-    if (!file_exists(filename_)) {
-      fatal_error(fmt::format("DAGMC file '{}' could not be found", filename_));
+    if (!starts_with(filename_, "/")) {
+      filename_ = dir_name(settings::path_input) + filename_;
     }
   } else {
     fatal_error("Must specify a file for the DAGMC universe");
@@ -123,7 +123,6 @@ void DAGUniverse::init_dagmc()
   dagmc_instance_ = std::make_shared<moab::DagMC>();
 
   // load the DAGMC geometry
-  filename_ = settings::path_input + filename_;
   if (!file_exists(filename_)) {
     fatal_error("Geometry DAGMC file '" + filename_ + "' does not exist!");
   }
diff --git a/src/file_utils.cpp b/src/file_utils.cpp
index 8a078fe18..197c9767c 100644
--- a/src/file_utils.cpp
+++ b/src/file_utils.cpp
@@ -26,6 +26,12 @@ bool file_exists(const std::string& filename)
   return s.good();
 }
 
+std::string dir_name(const std::string& filename)
+{
+  size_t pos = filename.find_last_of("\\/");
+  return (std::string::npos == pos) ? "" : filename.substr(0, pos + 1);
+}
+
 std::string get_file_extension(const std::string& filename)
 {
   // try our best to work on windows...
diff --git a/src/finalize.cpp b/src/finalize.cpp
index ea0470f9b..a41c2f783 100644
--- a/src/finalize.cpp
+++ b/src/finalize.cpp
@@ -88,17 +88,27 @@ int openmc_finalize()
   settings::legendre_to_tabular = true;
   settings::legendre_to_tabular_points = -1;
   settings::material_cell_offsets = true;
+  settings::max_lost_particles = 10;
+  settings::max_order = 0;
   settings::max_particles_in_flight = 100000;
   settings::max_splits = 1000;
   settings::max_tracks = 1000;
   settings::max_write_lost_particles = -1;
+  settings::n_log_bins = 8000;
   settings::n_inactive = 0;
   settings::n_particles = -1;
   settings::output_summary = true;
   settings::output_tallies = true;
   settings::particle_restart_run = false;
+  settings::path_cross_sections.clear();
+  settings::path_input.clear();
+  settings::path_output.clear();
+  settings::path_particle_restart.clear();
+  settings::path_sourcepoint.clear();
+  settings::path_statepoint.clear();
   settings::photon_transport = false;
   settings::reduce_tallies = true;
+  settings::rel_max_lost_particles = 1.0e-6;
   settings::res_scat_on = false;
   settings::res_scat_method = ResScatMethod::rvs;
   settings::res_scat_energy_min = 0.01;
@@ -123,6 +133,7 @@ int openmc_finalize()
   settings::verbosity = 7;
   settings::weight_cutoff = 0.25;
   settings::weight_survive = 1.0;
+  settings::weight_windows_file.clear();
   settings::weight_windows_on = false;
   settings::write_all_tracks = false;
   settings::write_initial_source = false;
diff --git a/src/initialize.cpp b/src/initialize.cpp
index 9e3c88603..cc1eac9cf 100644
--- a/src/initialize.cpp
+++ b/src/initialize.cpp
@@ -304,8 +304,9 @@ int parse_command_line(int argc, char* argv[])
         settings::path_input));
     }
 
-    // Add slash at end of directory if it isn't the
-    if (!ends_with(settings::path_input, "/")) {
+    // Add slash at end of directory if it isn't there
+    if (!ends_with(settings::path_input, "/") &&
+        dir_exists(settings::path_input)) {
       settings::path_input += "/";
     }
   }
@@ -315,18 +316,11 @@ int parse_command_line(int argc, char* argv[])
 
 bool read_model_xml()
 {
-  std::string model_filename =
-    settings::path_input.empty() ? "." : settings::path_input;
-
-  // some string cleanup
-  // a trailing "/" is applied to path_input if it's specified,
-  // remove it for the first attempt at reading the input file
-  if (ends_with(model_filename, "/"))
-    model_filename.pop_back();
+  std::string model_filename = settings::path_input;
 
   // if the current filename is a directory, append the default model filename
-  if (dir_exists(model_filename))
-    model_filename += "/model.xml";
+  if (model_filename.empty() || dir_exists(model_filename))
+    model_filename += "model.xml";
 
   // if this file doesn't exist, stop here
   if (!file_exists(model_filename))
diff --git a/tests/unit_tests/dagmc/test_h5m_subdir.py b/tests/unit_tests/dagmc/test_h5m_subdir.py
new file mode 100644
index 000000000..dd9c6b043
--- /dev/null
+++ b/tests/unit_tests/dagmc/test_h5m_subdir.py
@@ -0,0 +1,40 @@
+import shutil
+from pathlib import Path
+
+import openmc
+import openmc.lib
+import pytest
+
+pytestmark = pytest.mark.skipif(
+    not openmc.lib._dagmc_enabled(), reason="DAGMC CAD geometry is not enabled."
+)
+
+
+@pytest.mark.parametrize("absolute", [True, False])
+def test_model_h5m_in_subdirectory(run_in_tmpdir, request, absolute):
+    # Create new subdirectory and copy h5m file there
+    h5m = Path(request.fspath).parent / "dagmc.h5m"
+    subdir = Path("h5m")
+    subdir.mkdir()
+    shutil.copy(h5m, subdir)
+
+    # Create simple model with h5m file in subdirectory
+    if absolute:
+        dag_univ = openmc.DAGMCUniverse((subdir / "dagmc.h5m").absolute())
+    else:
+        dag_univ = openmc.DAGMCUniverse(subdir / "dagmc.h5m")
+    model = openmc.Model()
+    model.geometry = openmc.Geometry(dag_univ.bounded_universe())
+    mat1 = openmc.Material(name="41")
+    mat1.add_nuclide("H1", 1.0)
+    mat2 = openmc.Material(name="no-void fuel")
+    mat2.add_nuclide("U235", 1.0)
+    model.materials = [mat1, mat2]
+    model.settings.batches = 10
+    model.settings.inactive = 5
+    model.settings.particles = 1000
+
+    # Make sure model can load
+    model.export_to_model_xml()
+    openmc.lib.init(["model.xml"])
+    openmc.lib.finalize()

From 63916067ee74414f99c46dbf1480c894f097b916 Mon Sep 17 00:00:00 2001
From: yrrepy <100789850+yrrepy@users.noreply.github.com>
Date: Tue, 16 Jan 2024 22:54:03 -0800
Subject: [PATCH 2017/2654] Use huge_tree=True in lxml parsing (#2791)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/geometry.py    | 3 ++-
 openmc/material.py    | 3 ++-
 openmc/model/model.py | 3 ++-
 openmc/plots.py       | 3 ++-
 openmc/settings.py    | 3 ++-
 openmc/tallies.py     | 3 ++-
 6 files changed, 12 insertions(+), 6 deletions(-)

diff --git a/openmc/geometry.py b/openmc/geometry.py
index 60f4a390d..8815f2c83 100644
--- a/openmc/geometry.py
+++ b/openmc/geometry.py
@@ -293,7 +293,8 @@ class Geometry:
         if isinstance(materials, (str, os.PathLike)):
             materials = openmc.Materials.from_xml(materials)
 
-        tree = ET.parse(path)
+        parser = ET.XMLParser(huge_tree=True)
+        tree = ET.parse(path, parser=parser)
         root = tree.getroot()
 
         return cls.from_xml_element(root, materials)
diff --git a/openmc/material.py b/openmc/material.py
index 1f5496f15..d42c489ae 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -1754,7 +1754,8 @@ class Materials(cv.CheckedList):
             Materials collection
 
         """
-        tree = ET.parse(path)
+        parser = ET.XMLParser(huge_tree=True)
+        tree = ET.parse(path, parser=parser)
         root = tree.getroot()
 
         return cls.from_xml_element(root)
diff --git a/openmc/model/model.py b/openmc/model/model.py
index a60960b2b..5194fec1d 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -253,7 +253,8 @@ class Model:
         path : str or PathLike
             Path to model.xml file
         """
-        tree = ET.parse(path)
+        parser = ET.XMLParser(huge_tree=True)
+        tree = ET.parse(path, parser=parser)
         root = tree.getroot()
 
         model = cls()
diff --git a/openmc/plots.py b/openmc/plots.py
index b38b51a59..c73e3cdf7 100644
--- a/openmc/plots.py
+++ b/openmc/plots.py
@@ -1508,6 +1508,7 @@ class Plots(cv.CheckedList):
             Plots collection
 
         """
-        tree = ET.parse(path)
+        parser = ET.XMLParser(huge_tree=True)
+        tree = ET.parse(path, parser=parser)
         root = tree.getroot()
         return cls.from_xml_element(root)
diff --git a/openmc/settings.py b/openmc/settings.py
index 6486d1f2a..a6d273901 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -1952,7 +1952,8 @@ class Settings:
             Settings object
 
         """
-        tree = ET.parse(path)
+        parser = ET.XMLParser(huge_tree=True)
+        tree = ET.parse(path, parser=parser)
         root = tree.getroot()
         meshes = _read_meshes(root)
         return cls.from_xml_element(root, meshes)
diff --git a/openmc/tallies.py b/openmc/tallies.py
index b6cd4d139..ddc5d68ee 100644
--- a/openmc/tallies.py
+++ b/openmc/tallies.py
@@ -3304,6 +3304,7 @@ class Tallies(cv.CheckedList):
             Tallies object
 
         """
-        tree = ET.parse(path)
+        parser = ET.XMLParser(huge_tree=True)
+        tree = ET.parse(path, parser=parser)
         root = tree.getroot()
         return cls.from_xml_element(root)

From 4fa3fbcb193a785fa0314f83c54cdcbad860d5e0 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Wed, 17 Jan 2024 12:32:05 -0600
Subject: [PATCH 2018/2654] Make creation of spatial trees based on usage for
 unstructured mesh. (#2815)

---
 include/openmc/mesh.h       | 5 +++++
 src/mesh.cpp                | 7 +++++++
 src/tallies/filter_mesh.cpp | 2 ++
 3 files changed, 14 insertions(+)

diff --git a/include/openmc/mesh.h b/include/openmc/mesh.h
index de556321f..c88ffc350 100644
--- a/include/openmc/mesh.h
+++ b/include/openmc/mesh.h
@@ -75,6 +75,8 @@ public:
   virtual ~Mesh() = default;
 
   // Methods
+  //! Perform any preparation needed to support use in mesh filters
+  virtual void prepare_for_tallies() {};
 
   //! Update a position to the local coordinates of the mesh
   virtual void local_coords(Position& r) const {};
@@ -664,6 +666,9 @@ public:
 
   // Overridden Methods
 
+  //! Perform any preparation needed to support use in mesh filters
+  void prepare_for_tallies() override;
+
   Position sample_element(int32_t bin, uint64_t* seed) const override;
 
   void bins_crossed(Position r0, Position r1, const Direction& u,
diff --git a/src/mesh.cpp b/src/mesh.cpp
index 34510b614..cb6851d04 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -2057,6 +2057,13 @@ void MOABMesh::initialize()
       }
     }
   }
+}
+
+void MOABMesh::prepare_for_tallies()
+{
+  // if the KDTree has already been constructed, do nothing
+  if (kdtree_)
+    return;
 
   // build acceleration data structures
   compute_barycentric_data(ehs_);
diff --git a/src/tallies/filter_mesh.cpp b/src/tallies/filter_mesh.cpp
index deb143346..ed9c71667 100644
--- a/src/tallies/filter_mesh.cpp
+++ b/src/tallies/filter_mesh.cpp
@@ -77,8 +77,10 @@ std::string MeshFilter::text_label(int bin) const
 
 void MeshFilter::set_mesh(int32_t mesh)
 {
+  // perform any additional perparation for mesh tallies here
   mesh_ = mesh;
   n_bins_ = model::meshes[mesh_]->n_bins();
+  model::meshes[mesh_]->prepare_for_tallies();
 }
 
 void MeshFilter::set_translation(const Position& translation)

From 057c33a48e523e54fce25f10ba608f1747520f55 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Wed, 17 Jan 2024 14:46:37 -0600
Subject: [PATCH 2019/2654] Expose `Material::depletable` in the CAPI (#2843)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 include/openmc/capi.h        |  2 ++
 include/openmc/material.h    | 17 +++++++++++------
 openmc/lib/material.py       | 20 +++++++++++++++++++-
 src/event.cpp                |  2 +-
 src/material.cpp             | 30 +++++++++++++++++++++++++++---
 src/mgxs_interface.cpp       |  2 +-
 src/physics_mg.cpp           |  2 +-
 src/source.cpp               |  2 +-
 tests/unit_tests/test_lib.py |  4 ++++
 9 files changed, 67 insertions(+), 14 deletions(-)

diff --git a/include/openmc/capi.h b/include/openmc/capi.h
index a444814f5..1d4dc1a4e 100644
--- a/include/openmc/capi.h
+++ b/include/openmc/capi.h
@@ -93,6 +93,8 @@ int openmc_material_set_id(int32_t index, int32_t id);
 int openmc_material_get_name(int32_t index, const char** name);
 int openmc_material_set_name(int32_t index, const char* name);
 int openmc_material_set_volume(int32_t index, double volume);
+int openmc_material_get_depletable(int32_t index, bool* depletable);
+int openmc_material_set_depletable(int32_t index, bool depletable);
 int openmc_material_filter_get_bins(
   int32_t index, const int32_t** bins, size_t* n);
 int openmc_material_filter_set_bins(
diff --git a/include/openmc/material.h b/include/openmc/material.h
index deaee2469..9235be356 100644
--- a/include/openmc/material.h
+++ b/include/openmc/material.h
@@ -94,7 +94,7 @@ public:
   //  which will get auto-assigned to the next available ID. After creating
   //  the new material, it is added to openmc::model::materials.
   //! \return reference to the cloned material
-  Material & clone();
+  Material& clone();
 
   //----------------------------------------------------------------------------
   // Accessors
@@ -149,6 +149,7 @@ public:
   //! Get whether material is fissionable
   //! \return Whether material is fissionable
   bool fissionable() const { return fissionable_; }
+  bool& fissionable() { return fissionable_; }
 
   //! Get volume of material
   //! \return Volume in [cm^3]
@@ -158,6 +159,10 @@ public:
   //! \return Temperature in [K]
   double temperature() const;
 
+  //! Whether or not the material is depletable
+  bool depletable() const { return depletable_; }
+  bool& depletable() { return depletable_; }
+
   //! Get pointer to NCrystal material object
   //! \return Pointer to NCrystal material object
   const NCrystalMat& ncrystal_mat() const { return ncrystal_mat_; };
@@ -173,11 +178,8 @@ public:
   double density_;                      //!< Total atom density in [atom/b-cm]
   double density_gpcc_;                 //!< Total atom density in [g/cm^3]
   double volume_ {-1.0};                //!< Volume in [cm^3]
-  bool fissionable_ {
-    false};                 //!< Does this material contain fissionable nuclides
-  bool depletable_ {false}; //!< Is the material depletable?
-  vector<bool> p0_;         //!< Indicate which nuclides are to be treated with
-                            //!< iso-in-lab scattering
+  vector<bool> p0_; //!< Indicate which nuclides are to be treated with
+                    //!< iso-in-lab scattering
 
   // To improve performance of tallying, we store an array (direct address
   // table) that indicates for each nuclide in data::nuclides the index of the
@@ -210,6 +212,9 @@ private:
   // Private data members
   gsl::index index_;
 
+  bool depletable_ {false}; //!< Is the material depletable?
+  bool fissionable_ {
+    false}; //!< Does this material contain fissionable nuclides
   //! \brief Default temperature for cells containing this material.
   //!
   //! A negative value indicates no default temperature was specified.
diff --git a/openmc/lib/material.py b/openmc/lib/material.py
index fde197d3d..0ed8932da 100644
--- a/openmc/lib/material.py
+++ b/openmc/lib/material.py
@@ -1,5 +1,5 @@
 from collections.abc import Mapping
-from ctypes import c_int, c_int32, c_double, c_char_p, POINTER, c_size_t
+from ctypes import c_bool, c_int, c_int32, c_double, c_char_p, POINTER, c_size_t
 from weakref import WeakValueDictionary
 
 import numpy as np
@@ -60,6 +60,12 @@ _dll.openmc_material_set_name.errcheck = _error_handler
 _dll.openmc_material_set_volume.argtypes = [c_int32, c_double]
 _dll.openmc_material_set_volume.restype = c_int
 _dll.openmc_material_set_volume.errcheck = _error_handler
+_dll.openmc_material_get_depletable.argtypes = [c_int32, POINTER(c_bool)]
+_dll.openmc_material_get_depletable.restype = c_int
+_dll.openmc_material_get_depletable.errcheck = _error_handler
+_dll.openmc_material_set_depletable.argtypes = [c_int32, c_bool]
+_dll.openmc_material_set_depletable.restype = c_int
+_dll.openmc_material_set_depletable.errcheck = _error_handler
 _dll.n_materials.argtypes = []
 _dll.n_materials.restype = c_size_t
 
@@ -89,6 +95,8 @@ class Material(_FortranObjectWithID):
         List of nuclides in the material
     densities : numpy.ndarray
         Array of densities in atom/b-cm
+    depletable : bool
+        Whether this material is marked as depletable
     name : str
         Name of the material
     temperature : float
@@ -169,6 +177,16 @@ class Material(_FortranObjectWithID):
     def volume(self, volume):
         _dll.openmc_material_set_volume(self._index, volume)
 
+    @property
+    def depletable(self):
+        depletable = c_bool()
+        _dll.openmc_material_get_depletable(self._index, depletable)
+        return depletable.value
+
+    @depletable.setter
+    def depletable(self, depletable):
+        _dll.openmc_material_set_depletable(self._index, depletable)
+
     @property
     def nuclides(self):
         return self._get_densities()[0]
diff --git a/src/event.cpp b/src/event.cpp
index e9490a77f..ae914c8be 100644
--- a/src/event.cpp
+++ b/src/event.cpp
@@ -51,7 +51,7 @@ void dispatch_xs_event(int64_t buffer_idx)
 {
   Particle& p = simulation::particles[buffer_idx];
   if (p.material() == MATERIAL_VOID ||
-      !model::materials[p.material()]->fissionable_) {
+      !model::materials[p.material()]->fissionable()) {
     simulation::calculate_nonfuel_xs_queue.thread_safe_append({p, buffer_idx});
   } else {
     simulation::calculate_fuel_xs_queue.thread_safe_append({p, buffer_idx});
diff --git a/src/material.cpp b/src/material.cpp
index 7466f1981..aad7008e7 100644
--- a/src/material.cpp
+++ b/src/material.cpp
@@ -372,8 +372,8 @@ Material& Material::clone()
   mat->density_ = density_;
   mat->density_gpcc_ = density_gpcc_;
   mat->volume_ = volume_;
-  mat->fissionable_ = fissionable_;
-  mat->depletable_ = depletable_;
+  mat->fissionable() = fissionable_;
+  mat->depletable() = depletable_;
   mat->p0_ = p0_;
   mat->mat_nuclide_index_ = mat_nuclide_index_;
   mat->thermal_tables_ = thermal_tables_;
@@ -1068,7 +1068,7 @@ void Material::to_hdf5(hid_t group) const
 {
   hid_t material_group = create_group(group, "material " + std::to_string(id_));
 
-  write_attribute(material_group, "depletable", static_cast<int>(depletable_));
+  write_attribute(material_group, "depletable", static_cast<int>(depletable()));
   if (volume_ > 0.0) {
     write_attribute(material_group, "volume", volume_);
   }
@@ -1550,6 +1550,30 @@ extern "C" int openmc_material_set_volume(int32_t index, double volume)
   }
 }
 
+extern "C" int openmc_material_get_depletable(int32_t index, bool* depletable)
+{
+  if (index < 0 || index >= model::materials.size()) {
+    set_errmsg("Index in materials array is out of bounds.");
+    return OPENMC_E_OUT_OF_BOUNDS;
+  }
+
+  *depletable = model::materials[index]->depletable();
+
+  return 0;
+}
+
+extern "C" int openmc_material_set_depletable(int32_t index, bool depletable)
+{
+  if (index < 0 || index >= model::materials.size()) {
+    set_errmsg("Index in materials array is out of bounds.");
+    return OPENMC_E_OUT_OF_BOUNDS;
+  }
+
+  model::materials[index]->depletable() = depletable;
+
+  return 0;
+}
+
 extern "C" int openmc_extend_materials(
   int32_t n, int32_t* index_start, int32_t* index_end)
 {
diff --git a/src/mgxs_interface.cpp b/src/mgxs_interface.cpp
index 77085d57c..d54211eca 100644
--- a/src/mgxs_interface.cpp
+++ b/src/mgxs_interface.cpp
@@ -284,7 +284,7 @@ void mark_fissionable_mgxs_materials()
   for (const auto& mat : model::materials) {
     for (int i_nuc : mat->nuclide_) {
       if (data::mg.nuclides_[i_nuc].fissionable) {
-        mat->fissionable_ = true;
+        mat->fissionable() = true;
       }
     }
   }
diff --git a/src/physics_mg.cpp b/src/physics_mg.cpp
index 43e3cfa74..361cf5aff 100644
--- a/src/physics_mg.cpp
+++ b/src/physics_mg.cpp
@@ -43,7 +43,7 @@ void sample_reaction(Particle& p)
   // change when sampling fission sites. The following block handles all
   // absorption (including fission)
 
-  if (model::materials[p.material()]->fissionable_) {
+  if (model::materials[p.material()]->fissionable()) {
     if (settings::run_mode == RunMode::EIGENVALUE ||
         (settings::run_mode == RunMode::FIXED_SOURCE &&
           settings::create_fission_neutrons)) {
diff --git a/src/source.cpp b/src/source.cpp
index bf52b568a..778962667 100644
--- a/src/source.cpp
+++ b/src/source.cpp
@@ -201,7 +201,7 @@ SourceSite IndependentSource::sample(uint64_t* seed) const
           if (mat_index == MATERIAL_VOID) {
             found = false;
           } else {
-            found = model::materials[mat_index]->fissionable_;
+            found = model::materials[mat_index]->fissionable();
           }
         }
       }
diff --git a/tests/unit_tests/test_lib.py b/tests/unit_tests/test_lib.py
index 5f74c7c23..11d6b12c9 100644
--- a/tests/unit_tests/test_lib.py
+++ b/tests/unit_tests/test_lib.py
@@ -206,6 +206,10 @@ def test_material(lib_init):
     m.name = "Not hot borated water"
     assert m.name == "Not hot borated water"
 
+    assert m.depletable == False
+    m.depletable = True
+    assert m.depletable == True
+
 
 def test_properties_density(lib_init):
     m = openmc.lib.materials[1]

From 2c5b7407380d8d073e01836bbb3ca6324f9cdb87 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 17 Jan 2024 16:10:39 -0600
Subject: [PATCH 2020/2654] Update copyright to 2024 (#2846)

---
 LICENSE                 | 2 +-
 docs/source/conf.py     | 2 +-
 docs/source/license.rst | 2 +-
 man/man1/openmc.1       | 2 +-
 src/output.cpp          | 4 ++--
 5 files changed, 6 insertions(+), 6 deletions(-)

diff --git a/LICENSE b/LICENSE
index 81c1f5f7b..1f9198c1e 100644
--- a/LICENSE
+++ b/LICENSE
@@ -1,4 +1,4 @@
-Copyright (c) 2011-2023 Massachusetts Institute of Technology, UChicago Argonne
+Copyright (c) 2011-2024 Massachusetts Institute of Technology, UChicago Argonne
 LLC, and OpenMC contributors
 
 Permission is hereby granted, free of charge, to any person obtaining a copy of
diff --git a/docs/source/conf.py b/docs/source/conf.py
index b2a4a6758..53d529f3d 100644
--- a/docs/source/conf.py
+++ b/docs/source/conf.py
@@ -62,7 +62,7 @@ master_doc = 'index'
 
 # General information about the project.
 project = 'OpenMC'
-copyright = '2011-2023, Massachusetts Institute of Technology, UChicago Argonne LLC, and OpenMC contributors'
+copyright = '2011-2024, Massachusetts Institute of Technology, UChicago Argonne LLC, and OpenMC contributors'
 
 # The version info for the project you're documenting, acts as replacement for
 # |version| and |release|, also used in various other places throughout the
diff --git a/docs/source/license.rst b/docs/source/license.rst
index fb29afbc0..23315e8fe 100644
--- a/docs/source/license.rst
+++ b/docs/source/license.rst
@@ -4,7 +4,7 @@
 License Agreement
 =================
 
-Copyright © 2011-2023 Massachusetts Institute of Technology, UChicago Argonne
+Copyright © 2011-2024 Massachusetts Institute of Technology, UChicago Argonne
 LLC, and OpenMC contributors
 
 Permission is hereby granted, free of charge, to any person obtaining a copy of
diff --git a/man/man1/openmc.1 b/man/man1/openmc.1
index 331e42ea0..d121a8956 100644
--- a/man/man1/openmc.1
+++ b/man/man1/openmc.1
@@ -63,7 +63,7 @@ Indicates the default path to an HDF5 file that contains multi-group cross
 section libraries if the user has not specified the <cross_sections> tag in
 .I materials.xml\fP.
 .SH LICENSE
-Copyright \(co 2011-2023 Massachusetts Institute of Technology, UChicago
+Copyright \(co 2011-2024 Massachusetts Institute of Technology, UChicago
 Argonne LLC, and OpenMC contributors.
 .PP
 Permission is hereby granted, free of charge, to any person obtaining a copy of
diff --git a/src/output.cpp b/src/output.cpp
index 17e158d3f..9b4171d8d 100644
--- a/src/output.cpp
+++ b/src/output.cpp
@@ -74,7 +74,7 @@ void title()
   // Write version information
   fmt::print(
     "                 | The OpenMC Monte Carlo Code\n"
-    "       Copyright | 2011-2023 MIT, UChicago Argonne LLC, and contributors\n"
+    "       Copyright | 2011-2024 MIT, UChicago Argonne LLC, and contributors\n"
     "         License | https://docs.openmc.org/en/latest/license.html\n"
     "         Version | {}.{}.{}{}\n",
     VERSION_MAJOR, VERSION_MINOR, VERSION_RELEASE, VERSION_DEV ? "-dev" : "");
@@ -295,7 +295,7 @@ void print_version()
 #ifdef GIT_SHA1
     fmt::print("Git SHA1: {}\n", GIT_SHA1);
 #endif
-    fmt::print("Copyright (c) 2011-2023 MIT, UChicago Argonne LLC, and "
+    fmt::print("Copyright (c) 2011-2024 MIT, UChicago Argonne LLC, and "
                "contributors\nMIT/X license at "
                "<https://docs.openmc.org/en/latest/license.html>\n");
   }

From 187160d0822ef9f4ceb23e489c96fd62336a1fb2 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 19 Jan 2024 09:01:18 -0600
Subject: [PATCH 2021/2654] Ability to compute material volume fractions over
 mesh elements (#2802)

---
 include/openmc/capi.h        |   3 +
 include/openmc/mesh.h        |  30 +++++++-
 include/openmc/volume_calc.h |  36 +++++++++-
 openmc/lib/core.py           |   5 +-
 openmc/lib/mesh.py           |  84 +++++++++++++++++++++-
 src/mesh.cpp                 | 136 ++++++++++++++++++++++++++++++++++-
 src/volume_calc.cpp          |  29 +-------
 tests/unit_tests/test_lib.py |  76 ++++++++++++++++++--
 8 files changed, 360 insertions(+), 39 deletions(-)

diff --git a/include/openmc/capi.h b/include/openmc/capi.h
index 1d4dc1a4e..063ed8d9f 100644
--- a/include/openmc/capi.h
+++ b/include/openmc/capi.h
@@ -105,6 +105,9 @@ int openmc_mesh_filter_get_translation(int32_t index, double translation[3]);
 int openmc_mesh_filter_set_translation(int32_t index, double translation[3]);
 int openmc_mesh_get_id(int32_t index, int32_t* id);
 int openmc_mesh_set_id(int32_t index, int32_t id);
+int openmc_mesh_get_n_elements(int32_t index, size_t* n);
+int openmc_mesh_material_volumes(int32_t index, int n_sample, int bin,
+  int result_size, void* result, int* hits, uint64_t* seed);
 int openmc_meshsurface_filter_get_mesh(int32_t index, int32_t* index_mesh);
 int openmc_meshsurface_filter_set_mesh(int32_t index, int32_t index_mesh);
 int openmc_new_filter(const char* type, int32_t* index);
diff --git a/include/openmc/mesh.h b/include/openmc/mesh.h
index c88ffc350..37b771832 100644
--- a/include/openmc/mesh.h
+++ b/include/openmc/mesh.h
@@ -9,6 +9,7 @@
 #include "hdf5.h"
 #include "pugixml.hpp"
 #include "xtensor/xtensor.hpp"
+#include <gsl/gsl-lite.hpp>
 
 #include "openmc/error.h"
 #include "openmc/memory.h" // for unique_ptr
@@ -69,6 +70,12 @@ extern const libMesh::Parallel::Communicator* libmesh_comm;
 
 class Mesh {
 public:
+  // Types, aliases
+  struct MaterialVolume {
+    int32_t material; //!< material index
+    double volume;    //!< volume in [cm^3]
+  };
+
   // Constructors and destructor
   Mesh() = default;
   Mesh(pugi::xml_node node);
@@ -159,9 +166,28 @@ public:
 
   virtual std::string get_mesh_type() const = 0;
 
+  //! Determine volume of materials within a single mesh elemenet
+  //
+  //! \param[in] n_sample Number of samples within each element
+  //! \param[in] bin Index of mesh element
+  //! \param[out] Array of (material index, volume) for desired element
+  //! \param[inout] seed Pseudorandom number seed
+  //! \return Number of materials within element
+  int material_volumes(int n_sample, int bin, gsl::span<MaterialVolume> volumes,
+    uint64_t* seed) const;
+
+  //! Determine volume of materials within a single mesh elemenet
+  //
+  //! \param[in] n_sample Number of samples within each element
+  //! \param[in] bin Index of mesh element
+  //! \param[inout] seed Pseudorandom number seed
+  //! \return Vector of (material index, volume) for desired element
+  vector<MaterialVolume> material_volumes(
+    int n_sample, int bin, uint64_t* seed) const;
+
   // Data members
-  int id_ {-1};     //!< User-specified ID
-  int n_dimension_; //!< Number of dimensions
+  int id_ {-1};          //!< User-specified ID
+  int n_dimension_ {-1}; //!< Number of dimensions
 };
 
 class StructuredMesh : public Mesh {
diff --git a/include/openmc/volume_calc.h b/include/openmc/volume_calc.h
index 2773a39fa..376b8c707 100644
--- a/include/openmc/volume_calc.h
+++ b/include/openmc/volume_calc.h
@@ -1,18 +1,23 @@
 #ifndef OPENMC_VOLUME_CALC_H
 #define OPENMC_VOLUME_CALC_H
 
+#include <algorithm> // for find
 #include <cstdint>
 #include <string>
+#include <vector>
 
 #include "openmc/array.h"
+#include "openmc/openmp_interface.h"
 #include "openmc/position.h"
 #include "openmc/tallies/trigger.h"
 #include "openmc/vector.h"
 
 #include "pugixml.hpp"
 #include "xtensor/xtensor.hpp"
-
 #include <gsl/gsl-lite.hpp>
+#ifdef _OPENMP
+#include <omp.h>
+#endif
 
 namespace openmc {
 
@@ -89,6 +94,35 @@ extern vector<VolumeCalculation> volume_calcs;
 // Non-member functions
 //==============================================================================
 
+//! Reduce vector of indices and hits from each thread to a single copy
+//
+//! \param[in] local_indices Indices specific to each thread
+//! \param[in] local_hits Hit count specific to each thread
+//! \param[out] indices Reduced vector of indices
+//! \param[out] hits Reduced vector of hits
+template<typename T, typename T2>
+void reduce_indices_hits(const vector<T>& local_indices,
+  const vector<T2>& local_hits, vector<T>& indices, vector<T2>& hits)
+{
+  const int n_threads = num_threads();
+
+#pragma omp for ordered schedule(static, 1)
+  for (int i = 0; i < n_threads; ++i) {
+#pragma omp ordered
+    for (int j = 0; j < local_indices.size(); ++j) {
+      // Check if this material has been added to the master list and if
+      // so, accumulate the number of hits
+      auto it = std::find(indices.begin(), indices.end(), local_indices[j]);
+      if (it == indices.end()) {
+        indices.push_back(local_indices[j]);
+        hits.push_back(local_hits[j]);
+      } else {
+        hits[it - indices.begin()] += local_hits[j];
+      }
+    }
+  }
+}
+
 void free_memory_volume();
 
 } // namespace openmc
diff --git a/openmc/lib/core.py b/openmc/lib/core.py
index 25dc65fe8..4ea1c86d0 100644
--- a/openmc/lib/core.py
+++ b/openmc/lib/core.py
@@ -611,7 +611,7 @@ class _DLLGlobal:
 
 class _FortranObject:
     def __repr__(self):
-        return "{}[{}]".format(type(self).__name__, self._index)
+        return "<{}(index={})>".format(type(self).__name__, self._index)
 
 
 class _FortranObjectWithID(_FortranObject):
@@ -622,6 +622,9 @@ class _FortranObjectWithID(_FortranObject):
         # OutOfBoundsError will be raised here by virtue of referencing self.id
         self.id
 
+    def __repr__(self):
+        return "<{}(id={})>".format(type(self).__name__, self.id)
+
 
 @contextmanager
 def quiet_dll(output=True):
diff --git a/openmc/lib/mesh.py b/openmc/lib/mesh.py
index 72d61cc66..8a9953754 100644
--- a/openmc/lib/mesh.py
+++ b/openmc/lib/mesh.py
@@ -1,6 +1,8 @@
 from collections.abc import Mapping
-from ctypes import (c_int, c_int32, c_char_p, c_double, POINTER,
-                    create_string_buffer)
+from ctypes import (c_int, c_int32, c_char_p, c_double, POINTER, Structure,
+                    create_string_buffer, c_uint64, c_size_t)
+from random import getrandbits
+from typing import Optional, List, Tuple
 from weakref import WeakValueDictionary
 
 import numpy as np
@@ -10,9 +12,18 @@ from ..exceptions import AllocationError, InvalidIDError
 from . import _dll
 from .core import _FortranObjectWithID
 from .error import _error_handler
+from .material import Material
 
 __all__ = ['RegularMesh', 'RectilinearMesh', 'CylindricalMesh', 'SphericalMesh', 'UnstructuredMesh', 'meshes']
 
+
+class _MaterialVolume(Structure):
+    _fields_ = [
+        ("material", c_int32),
+        ("volume", c_double)
+    ]
+
+
 # Mesh functions
 _dll.openmc_extend_meshes.argtypes = [c_int32, c_char_p, POINTER(c_int32),
                                       POINTER(c_int32)]
@@ -24,6 +35,14 @@ _dll.openmc_mesh_get_id.errcheck = _error_handler
 _dll.openmc_mesh_set_id.argtypes = [c_int32, c_int32]
 _dll.openmc_mesh_set_id.restype = c_int
 _dll.openmc_mesh_set_id.errcheck = _error_handler
+_dll.openmc_mesh_get_n_elements.argtypes = [c_int32, POINTER(c_size_t)]
+_dll.openmc_mesh_get_n_elements.restype = c_int
+_dll.openmc_mesh_get_n_elements.errcheck = _error_handler
+_dll.openmc_mesh_material_volumes.argtypes = [
+    c_int32, c_int, c_int, c_int, POINTER(_MaterialVolume),
+    POINTER(c_int), POINTER(c_uint64)]
+_dll.openmc_mesh_material_volumes.restype = c_int
+_dll.openmc_mesh_material_volumes.errcheck = _error_handler
 _dll.openmc_get_mesh_index.argtypes = [c_int32, POINTER(c_int32)]
 _dll.openmc_get_mesh_index.restype = c_int
 _dll.openmc_get_mesh_index.errcheck = _error_handler
@@ -123,6 +142,67 @@ class Mesh(_FortranObjectWithID):
     def id(self, mesh_id):
         _dll.openmc_mesh_set_id(self._index, mesh_id)
 
+    @property
+    def n_elements(self):
+        n = c_size_t()
+        _dll.openmc_mesh_get_n_elements(self._index, n)
+        return n.value
+
+    def material_volumes(
+            self,
+            n_samples: int = 10_000,
+            prn_seed: Optional[int] = None
+    ) -> List[List[Tuple[Material, float]]]:
+        """Determine volume of materials in each mesh element
+
+        .. versionadded:: 0.14.1
+
+        Parameters
+        ----------
+        n_samples : int
+            Number of samples in each mesh element
+        prn_seed : int
+            Pseudorandom number generator (PRNG) seed; if None, one will be
+            generated randomly.
+
+        Returns
+        -------
+        List of tuple of (material, volume) for each mesh element. Void volume
+        is represented by having a value of None in the first element of a
+        tuple.
+
+        """
+        if n_samples <= 0:
+            raise ValueError("Number of samples must be positive")
+        if prn_seed is None:
+            prn_seed = getrandbits(63)
+        prn_seed = c_uint64(prn_seed)
+
+        # Preallocate space for MaterialVolume results
+        size = 16
+        result = (_MaterialVolume * size)()
+
+        hits = c_int()  # Number of materials hit in a given element
+        volumes = []
+        for i_element in range(self.n_elements):
+            while True:
+                try:
+                    _dll.openmc_mesh_material_volumes(
+                        self._index, n_samples, i_element, size, result, hits, prn_seed)
+                except AllocationError:
+                    # Increase size of result array and try again
+                    size *= 2
+                    result = (_MaterialVolume * size)()
+                else:
+                    # If no error, break out of loop
+                    break
+
+            volumes.append([
+                (Material(index=r.material), r.volume)
+                for r in result[:hits.value]
+            ])
+        return volumes
+
 
 class RegularMesh(Mesh):
     """RegularMesh stored internally.
diff --git a/src/mesh.cpp b/src/mesh.cpp
index cb6851d04..b70692347 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -22,15 +22,19 @@
 #include "openmc/container_util.h"
 #include "openmc/error.h"
 #include "openmc/file_utils.h"
+#include "openmc/geometry.h"
 #include "openmc/hdf5_interface.h"
+#include "openmc/material.h"
 #include "openmc/memory.h"
 #include "openmc/message_passing.h"
 #include "openmc/openmp_interface.h"
+#include "openmc/particle_data.h"
 #include "openmc/random_dist.h"
 #include "openmc/search.h"
 #include "openmc/settings.h"
 #include "openmc/tallies/filter.h"
 #include "openmc/tallies/tally.h"
+#include "openmc/volume_calc.h"
 #include "openmc/xml_interface.h"
 
 #ifdef LIBMESH
@@ -141,6 +145,92 @@ vector<double> Mesh::volumes() const
   return volumes;
 }
 
+int Mesh::material_volumes(
+  int n_sample, int bin, gsl::span<MaterialVolume> result, uint64_t* seed) const
+{
+  vector<int32_t> materials;
+  vector<int64_t> hits;
+
+#pragma omp parallel
+  {
+    vector<int32_t> local_materials;
+    vector<int64_t> local_hits;
+    GeometryState geom;
+
+#pragma omp for
+    for (int i = 0; i < n_sample; ++i) {
+      // Get seed for i-th sample
+      uint64_t seed_i = future_seed(3 * i, *seed);
+
+      // Sample position and set geometry state
+      geom.r() = this->sample_element(bin, &seed_i);
+      geom.u() = {1., 0., 0.};
+      geom.n_coord() = 1;
+
+      // If this location is not in the geometry at all, move on to next block
+      if (!exhaustive_find_cell(geom))
+        continue;
+
+      int i_material = geom.material();
+
+      // Check if this material was previously hit and if so, increment count
+      auto it =
+        std::find(local_materials.begin(), local_materials.end(), i_material);
+      if (it == local_materials.end()) {
+        local_materials.push_back(i_material);
+        local_hits.push_back(1);
+      } else {
+        local_hits[it - local_materials.begin()]++;
+      }
+    } // omp for
+
+    // Reduce index/hits lists from each thread into a single copy
+    reduce_indices_hits(local_materials, local_hits, materials, hits);
+  } // omp parallel
+
+  // Advance RNG seed
+  advance_prn_seed(3 * n_sample, seed);
+
+  // Make sure span passed in is large enough
+  if (hits.size() > result.size()) {
+    return -1;
+  }
+
+  // Convert hits to fractions
+  for (int i_mat = 0; i_mat < hits.size(); ++i_mat) {
+    double fraction = double(hits[i_mat]) / n_sample;
+    result[i_mat].material = materials[i_mat];
+    result[i_mat].volume = fraction * this->volume(bin);
+  }
+  return hits.size();
+}
+
+vector<Mesh::MaterialVolume> Mesh::material_volumes(
+  int n_sample, int bin, uint64_t* seed) const
+{
+  // Create result vector with space for 8 pairs
+  vector<Mesh::MaterialVolume> result;
+  result.reserve(8);
+
+  int size = -1;
+  while (true) {
+    // Get material volumes
+    size = this->material_volumes(
+      n_sample, bin, {result.data(), result.data() + result.capacity()}, seed);
+
+    // If capacity was sufficient, resize the vector and return
+    if (size >= 0) {
+      result.resize(size);
+      break;
+    }
+
+    // Otherwise, increase capacity of the vector
+    result.reserve(2 * result.capacity());
+  }
+
+  return result;
+}
+
 //==============================================================================
 // Structured Mesh implementation
 //==============================================================================
@@ -736,7 +826,7 @@ RegularMesh::RegularMesh(pugi::xml_node node) : StructuredMesh {node}
     fatal_error("Must specify either <upper_right> or <width> on a mesh.");
   }
 
-  // Set volume fraction
+  // Set material volumes
   volume_frac_ = 1.0 / xt::prod(shape)();
 
   element_volume_ = 1.0;
@@ -1035,7 +1125,7 @@ double RectilinearMesh::volume(const MeshIndex& ijk) const
   double vol {1.0};
 
   for (int i = 0; i < n_dimension_; i++) {
-    vol *= grid_[i][ijk[i] + 1] - grid_[i][ijk[i]];
+    vol *= grid_[i][ijk[i]] - grid_[i][ijk[i] - 1];
   }
   return vol;
 }
@@ -1781,6 +1871,33 @@ extern "C" int openmc_mesh_set_id(int32_t index, int32_t id)
   return 0;
 }
 
+//! Get the number of elements in a mesh
+extern "C" int openmc_mesh_get_n_elements(int32_t index, size_t* n)
+{
+  if (int err = check_mesh(index))
+    return err;
+  *n = model::meshes[index]->n_bins();
+  return 0;
+}
+
+extern "C" int openmc_mesh_material_volumes(int32_t index, int n_sample,
+  int bin, int result_size, void* result, int* hits, uint64_t* seed)
+{
+  auto result_ = reinterpret_cast<Mesh::MaterialVolume*>(result);
+  if (!result_) {
+    set_errmsg("Invalid result pointer passed to openmc_mesh_material_volumes");
+    return OPENMC_E_INVALID_ARGUMENT;
+  }
+
+  if (int err = check_mesh(index))
+    return err;
+
+  int n = model::meshes[index]->material_volumes(
+    n_sample, bin, {result_, result_ + result_size}, seed);
+  *hits = n;
+  return (n == -1) ? OPENMC_E_ALLOCATE : 0;
+}
+
 //! Get the dimension of a regular mesh
 extern "C" int openmc_regular_mesh_get_dimension(
   int32_t index, int** dims, int* n)
@@ -1835,6 +1952,11 @@ extern "C" int openmc_regular_mesh_set_params(
     return err;
   RegularMesh* m = dynamic_cast<RegularMesh*>(model::meshes[index].get());
 
+  if (m->n_dimension_ == -1) {
+    set_errmsg("Need to set mesh dimension before setting parameters.");
+    return OPENMC_E_UNASSIGNED;
+  }
+
   vector<std::size_t> shape = {static_cast<std::size_t>(n)};
   if (ll && ur) {
     m->lower_left_ = xt::adapt(ll, n, xt::no_ownership(), shape);
@@ -1853,6 +1975,16 @@ extern "C" int openmc_regular_mesh_set_params(
     return OPENMC_E_INVALID_ARGUMENT;
   }
 
+  // Set material volumes
+
+  // TODO: incorporate this into method in RegularMesh that can be called from
+  // here and from constructor
+  m->volume_frac_ = 1.0 / xt::prod(m->get_x_shape())();
+  m->element_volume_ = 1.0;
+  for (int i = 0; i < m->n_dimension_; i++) {
+    m->element_volume_ *= m->width_[i];
+  }
+
   return 0;
 }
 
diff --git a/src/volume_calc.cpp b/src/volume_calc.cpp
index 6a47e9490..8b5c27f14 100644
--- a/src/volume_calc.cpp
+++ b/src/volume_calc.cpp
@@ -203,32 +203,9 @@ vector<VolumeCalculation::Result> VolumeCalculation::execute() const
       // At this point, each thread has its own pair of index/hits lists and we
       // now need to reduce them. OpenMP is not nearly smart enough to do this
       // on its own, so we have to manually reduce them
-      const int n_threads = num_threads();
-
-#pragma omp for ordered schedule(static)
-      for (int i = 0; i < n_threads; ++i) {
-#pragma omp ordered
-        for (int i_domain = 0; i_domain < n; ++i_domain) {
-          for (int j = 0; j < indices[i_domain].size(); ++j) {
-            // Check if this material has been added to the master list and if
-            // so, accumulate the number of hits
-            bool already_added = false;
-            for (int k = 0; k < master_indices[i_domain].size(); k++) {
-              if (indices[i_domain][j] == master_indices[i_domain][k]) {
-                master_hits[i_domain][k] += hits[i_domain][j];
-                already_added = true;
-                break;
-              }
-            }
-            if (!already_added) {
-              // If we made it here, the material hasn't yet been added to the
-              // master list, so add entries to the master indices and master
-              // hits lists
-              master_indices[i_domain].push_back(indices[i_domain][j]);
-              master_hits[i_domain].push_back(hits[i_domain][j]);
-            }
-          }
-        }
+      for (int i_domain = 0; i_domain < n; ++i_domain) {
+        reduce_indices_hits(indices[i_domain], hits[i_domain],
+          master_indices[i_domain], master_hits[i_domain]);
       }
     } // omp parallel
 
diff --git a/tests/unit_tests/test_lib.py b/tests/unit_tests/test_lib.py
index 11d6b12c9..8aa2ea6e9 100644
--- a/tests/unit_tests/test_lib.py
+++ b/tests/unit_tests/test_lib.py
@@ -1,4 +1,5 @@
 from collections.abc import Mapping
+from math import pi
 import os
 
 import numpy as np
@@ -126,7 +127,7 @@ def test_cell(lib_init):
     cell = openmc.lib.cells[1]
     assert isinstance(cell.fill, openmc.lib.Material)
     cell.fill = openmc.lib.materials[1]
-    assert str(cell) == 'Cell[0]'
+    assert str(cell) == '<Cell(id=1)>'
     assert cell.name == "Fuel"
     cell.name = "Not fuel"
     assert cell.name == "Not fuel"
@@ -584,6 +585,25 @@ def test_regular_mesh(lib_init):
     msf.translation = translation
     assert msf.translation == translation
 
+    # Test material volumes
+    mesh = openmc.lib.RegularMesh()
+    mesh.dimension = (2, 2, 1)
+    mesh.set_parameters(lower_left=(-0.63, -0.63, -0.5),
+                        upper_right=(0.63, 0.63, 0.5))
+    vols = mesh.material_volumes()
+    assert len(vols) == 4
+    for elem_vols in vols:
+        assert sum(f[1] for f in elem_vols) == pytest.approx(1.26 * 1.26 / 4)
+
+    # If the mesh extends beyond the boundaries of the model, the volumes should
+    # still be reported correctly
+    mesh.dimension = (1, 1, 1)
+    mesh.set_parameters(lower_left=(-1.0, -1.0, -0.5),
+                        upper_right=(1.0, 1.0, 0.5))
+    vols = mesh.material_volumes(100_000)
+    for elem_vols in vols:
+        assert sum(f[1] for f in elem_vols) == pytest.approx(1.26 * 1.26, 1e-2)
+
 
 def test_rectilinear_mesh(lib_init):
     mesh = openmc.lib.RectilinearMesh()
@@ -604,7 +624,7 @@ def test_rectilinear_mesh(lib_init):
 
     meshes = openmc.lib.meshes
     assert isinstance(meshes, Mapping)
-    assert len(meshes) == 2
+    assert len(meshes) == 3
 
     mesh = meshes[mesh.id]
     assert isinstance(mesh, openmc.lib.RectilinearMesh)
@@ -615,8 +635,21 @@ def test_rectilinear_mesh(lib_init):
     msf = openmc.lib.MeshSurfaceFilter(mesh)
     assert msf.mesh == mesh
 
+    # Test material volumes
+    mesh = openmc.lib.RectilinearMesh()
+    w = 1.26
+    mesh.set_grid([-w/2, -w/4, w/2], [-w/2, -w/4, w/2], [-0.5, 0.5])
+
+    vols = mesh.material_volumes()
+    assert len(vols) == 4
+    assert sum(f[1] for f in vols[0]) == pytest.approx(w/4 * w/4)
+    assert sum(f[1] for f in vols[1]) == pytest.approx(w/4 * 3*w/4)
+    assert sum(f[1] for f in vols[2]) == pytest.approx(3*w/4 * w/4)
+    assert sum(f[1] for f in vols[3]) == pytest.approx(3*w/4 * 3*w/4)
+
+
 def test_cylindrical_mesh(lib_init):
-    deg2rad = lambda deg: deg*np.pi/180
+    deg2rad = lambda deg: deg*pi/180
     mesh = openmc.lib.CylindricalMesh()
     r_grid = [0., 5., 10.]
     phi_grid = np.radians([0., 10., 20.])
@@ -635,7 +668,7 @@ def test_cylindrical_mesh(lib_init):
 
     meshes = openmc.lib.meshes
     assert isinstance(meshes, Mapping)
-    assert len(meshes) == 3
+    assert len(meshes) == 5
 
     mesh = meshes[mesh.id]
     assert isinstance(mesh, openmc.lib.CylindricalMesh)
@@ -646,6 +679,21 @@ def test_cylindrical_mesh(lib_init):
     msf = openmc.lib.MeshSurfaceFilter(mesh)
     assert msf.mesh == mesh
 
+    # Test material volumes
+    mesh = openmc.lib.CylindricalMesh()
+    r_grid = (0., 0.25, 0.5)
+    phi_grid = np.linspace(0., 2.0*pi, 4)
+    z_grid = (-0.5, 0.5)
+    mesh.set_grid(r_grid, phi_grid, z_grid)
+
+    vols = mesh.material_volumes()
+    assert len(vols) == 6
+    for i in range(0, 6, 2):
+        assert sum(f[1] for f in vols[i]) == pytest.approx(pi * 0.25**2 / 3)
+    for i in range(1, 6, 2):
+        assert sum(f[1] for f in vols[i]) == pytest.approx(pi * (0.5**2 - 0.25**2) / 3)
+
+
 def test_spherical_mesh(lib_init):
     deg2rad = lambda deg: deg*np.pi/180
     mesh = openmc.lib.SphericalMesh()
@@ -666,7 +714,7 @@ def test_spherical_mesh(lib_init):
 
     meshes = openmc.lib.meshes
     assert isinstance(meshes, Mapping)
-    assert len(meshes) == 4
+    assert len(meshes) == 7
 
     mesh = meshes[mesh.id]
     assert isinstance(mesh, openmc.lib.SphericalMesh)
@@ -677,6 +725,24 @@ def test_spherical_mesh(lib_init):
     msf = openmc.lib.MeshSurfaceFilter(mesh)
     assert msf.mesh == mesh
 
+    # Test material volumes
+    mesh = openmc.lib.SphericalMesh()
+    r_grid = (0., 0.25, 0.5)
+    theta_grid = np.linspace(0., pi, 3)
+    phi_grid = np.linspace(0., 2.0*pi, 4)
+    mesh.set_grid(r_grid, theta_grid, phi_grid)
+
+    vols = mesh.material_volumes()
+    assert len(vols) == 12
+    d_theta = theta_grid[1] - theta_grid[0]
+    d_phi = phi_grid[1] - phi_grid[0]
+    for i in range(0, 12, 2):
+        assert sum(f[1] for f in vols[i]) == pytest.approx(
+            0.25**3 / 3 * d_theta * d_phi * 2/pi)
+    for i in range(1, 12, 2):
+        assert sum(f[1] for f in vols[i]) == pytest.approx(
+            (0.5**3 - 0.25**3) / 3 * d_theta * d_phi * 2/pi)
+
 
 def test_restart(lib_init, mpi_intracomm):
     # Finalize and re-init to make internal state consistent with XML.

From 0785500bc418d5bf7407fe65835492dbe95baa20 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 19 Jan 2024 15:32:43 -0600
Subject: [PATCH 2022/2654] Updating file extension for Excel files when
 exporting MGXS data (#2852)

---
 openmc/mgxs/mdgxs.py                             |  4 ++--
 openmc/mgxs/mgxs.py                              |  4 ++--
 setup.py                                         |  2 +-
 tests/regression_tests/mgxs_library_hdf5/test.py | 10 +++++++---
 4 files changed, 12 insertions(+), 8 deletions(-)

diff --git a/openmc/mgxs/mdgxs.py b/openmc/mgxs/mdgxs.py
index c9d76bc10..58f6a2d2f 100644
--- a/openmc/mgxs/mdgxs.py
+++ b/openmc/mgxs/mdgxs.py
@@ -743,9 +743,9 @@ class MDGXS(MGXS):
             df.to_csv(filename + '.csv', index=False)
         elif format == 'excel':
             if self.domain_type == 'mesh':
-                df.to_excel(filename + '.xls')
+                df.to_excel(filename + '.xlsx')
             else:
-                df.to_excel(filename + '.xls', index=False)
+                df.to_excel(filename + '.xlsx', index=False)
         elif format == 'pickle':
             df.to_pickle(filename + '.pkl')
         elif format == 'latex':
diff --git a/openmc/mgxs/mgxs.py b/openmc/mgxs/mgxs.py
index b6840d079..2eb7f2756 100644
--- a/openmc/mgxs/mgxs.py
+++ b/openmc/mgxs/mgxs.py
@@ -2001,9 +2001,9 @@ class MGXS:
             df.to_csv(filename + '.csv', index=False)
         elif format == 'excel':
             if self.domain_type == 'mesh':
-                df.to_excel(filename + '.xls')
+                df.to_excel(filename + '.xlsx')
             else:
-                df.to_excel(filename + '.xls', index=False)
+                df.to_excel(filename + '.xlsx', index=False)
         elif format == 'pickle':
             df.to_pickle(filename + '.pkl')
         elif format == 'latex':
diff --git a/setup.py b/setup.py
index 29c129d7b..eeb0b3f29 100755
--- a/setup.py
+++ b/setup.py
@@ -71,7 +71,7 @@ kwargs = {
         'depletion-mpi': ['mpi4py'],
         'docs': ['sphinx', 'sphinxcontrib-katex', 'sphinx-numfig', 'jupyter',
                  'sphinxcontrib-svg2pdfconverter', 'sphinx-rtd-theme'],
-        'test': ['pytest', 'pytest-cov', 'colorama'],
+        'test': ['pytest', 'pytest-cov', 'colorama', 'openpyxl'],
         'vtk': ['vtk'],
     },
     # Cython is used to add resonance reconstruction and fast float_endf
diff --git a/tests/regression_tests/mgxs_library_hdf5/test.py b/tests/regression_tests/mgxs_library_hdf5/test.py
index 2f3c9d149..06625c25f 100644
--- a/tests/regression_tests/mgxs_library_hdf5/test.py
+++ b/tests/regression_tests/mgxs_library_hdf5/test.py
@@ -54,6 +54,11 @@ class MGXSTestHarness(PyAPITestHarness):
         # Export the MGXS Library to an HDF5 file
         self.mgxs_lib.build_hdf5_store(directory='.')
 
+        # Test export of the MGXS Library to an Excel spreadsheet
+        for mgxs in self.mgxs_lib.all_mgxs.values():
+            for xs in mgxs.values():
+                xs.export_xs_data('mgxs', xs_type='macro', format='excel')
+
         # Open the MGXS HDF5 file
         with h5py.File('mgxs.h5', 'r') as f:
 
@@ -76,9 +81,8 @@ class MGXSTestHarness(PyAPITestHarness):
 
     def _cleanup(self):
         super()._cleanup()
-        f = 'mgxs.h5'
-        if os.path.exists(f):
-            os.remove(f)
+        files = ['mgxs.h5', 'mgxs.xlsx']
+        (os.remove(f) for f in files if os.path.exists(f))
 
 
 def test_mgxs_library_hdf5():

From b97149ddf817d2f4bcb41db5dbc8f77dd1dd4113 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Sat, 20 Jan 2024 19:06:45 +0000
Subject: [PATCH 2023/2654] removed error raising when calling warn (#2853)

---
 openmc/deplete/openmc_operator.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/deplete/openmc_operator.py b/openmc/deplete/openmc_operator.py
index 74dbf8fee..ad7a3924b 100644
--- a/openmc/deplete/openmc_operator.py
+++ b/openmc/deplete/openmc_operator.py
@@ -213,7 +213,7 @@ class OpenMCOperator(TransportOperator):
                     msg = (f"Nuclilde {nuclide} in material {mat.id} is not "
                            "present in the depletion chain and has no cross "
                            "section data.")
-                    raise warn(msg)
+                    warn(msg)
             if mat.depletable:
                 burnable_mats.add(str(mat.id))
                 if mat.volume is None:

From fca4da4bda59c532134a791fe0cd938d08e2e15c Mon Sep 17 00:00:00 2001
From: Gavin Ridley <gavin.keith.ridley@gmail.com>
Date: Tue, 23 Jan 2024 06:53:11 -0600
Subject: [PATCH 2024/2654] Export model.tallies to XML in CoupledOperator
 (#2840)

---
 openmc/deplete/coupled_operator.py            | 46 +++++++++++++++----
 .../test_deplete_coupled_operator.py          |  8 ++--
 tests/unit_tests/test_model.py                | 18 ++++++++
 3 files changed, 59 insertions(+), 13 deletions(-)

diff --git a/openmc/deplete/coupled_operator.py b/openmc/deplete/coupled_operator.py
index d591e956f..856a26958 100644
--- a/openmc/deplete/coupled_operator.py
+++ b/openmc/deplete/coupled_operator.py
@@ -178,10 +178,6 @@ class CoupledOperator(OpenMCOperator):
     ----------
     model : openmc.model.Model
         OpenMC model object
-    geometry : openmc.Geometry
-        OpenMC geometry object
-    settings : openmc.Settings
-        OpenMC settings object
     output_dir : pathlib.Path
         Path to output directory to save results.
     round_number : bool
@@ -242,8 +238,6 @@ class CoupledOperator(OpenMCOperator):
                 warn("Fission Q dictionary will not be used")
                 fission_q = None
         self.model = model
-        self.settings = model.settings
-        self.geometry = model.geometry
 
         # determine set of materials in the model
         if not model.materials:
@@ -358,7 +352,7 @@ class CoupledOperator(OpenMCOperator):
         if normalization_mode == "fission-q":
             self._normalization_helper = ChainFissionHelper()
         elif normalization_mode == "energy-deposition":
-            score = "heating" if self.settings.photon_transport else "heating-local"
+            score = "heating" if self.model.settings.photon_transport else "heating-local"
             self._normalization_helper = EnergyScoreHelper(score)
         else:
             self._normalization_helper = SourceRateHelper()
@@ -380,8 +374,12 @@ class CoupledOperator(OpenMCOperator):
 
         # Create XML files
         if comm.rank == 0:
-            self.geometry.export_to_xml()
-            self.settings.export_to_xml()
+            self.model.geometry.export_to_xml()
+            self.model.settings.export_to_xml()
+            if self.model.plots:
+                self.model.plots.export_to_xml()
+            if self.model.tallies:
+                self.model.tallies.export_to_xml()
             self._generate_materials_xml()
 
         # Initialize OpenMC library
@@ -528,6 +526,36 @@ class CoupledOperator(OpenMCOperator):
         if self.cleanup_when_done:
             openmc.lib.finalize()
 
+    # The next few class variables and methods should be removed after one
+    # release cycle or so. For now, we will provide compatibility to
+    # accessing CoupledOperator.settings and CoupledOperator.geometry. In
+    # the future these should stay on the Model class.
+
+    var_warning_msg = "The CoupledOperator.{0} variable should be \
+accessed through CoupledOperator.model.{0}."
+    geometry_warning_msg = var_warning_msg.format("geometry")
+    settings_warning_msg = var_warning_msg.format("settings")
+
+    @property
+    def settings(self):
+        warn(self.settings_warning_msg, FutureWarning)
+        return self.model.settings
+
+    @settings.setter
+    def settings(self, new_settings):
+        warn(self.settings_warning_msg, FutureWarning)
+        self.model.settings = new_settings
+
+    @property
+    def geometry(self):
+        warn(self.geometry_warning_msg, FutureWarning)
+        return self.model.geometry
+
+    @geometry.setter
+    def geometry(self, new_geometry):
+        warn(self.geometry_warning_msg, FutureWarning)
+        self.model.geometry = new_geometry
+
 
 # Retain deprecated name for the time being
 def Operator(*args, **kwargs):
diff --git a/tests/unit_tests/test_deplete_coupled_operator.py b/tests/unit_tests/test_deplete_coupled_operator.py
index 8765020de..fe79d621b 100644
--- a/tests/unit_tests/test_deplete_coupled_operator.py
+++ b/tests/unit_tests/test_deplete_coupled_operator.py
@@ -38,7 +38,8 @@ def model():
 
     pin_surfaces = [openmc.ZCylinder(r=r) for r in radii]
     pin_univ = openmc.model.pin(pin_surfaces, materials)
-    bound_box = openmc.model.RectangularPrism(1.24, 1.24, boundary_type="reflective")
+    bound_box = openmc.model.RectangularPrism(
+        1.24, 1.24, boundary_type="reflective")
     root_cell = openmc.Cell(fill=pin_univ, region=-bound_box)
     geometry = openmc.Geometry([root_cell])
 
@@ -95,7 +96,7 @@ def test_diff_volume_method_match_cell(model_with_volumes):
         chain_file=CHAIN_PATH
     )
 
-    all_cells = list(operator.geometry.get_all_cells().values())
+    all_cells = list(operator.model.geometry.get_all_cells().values())
     assert all_cells[0].fill.volume == 4.19
     assert all_cells[1].fill.volume == 33.51
     # mat2 is not depletable
@@ -112,9 +113,8 @@ def test_diff_volume_method_divide_equally(model_with_volumes):
         chain_file=CHAIN_PATH
     )
 
-    all_cells = list(operator.geometry.get_all_cells().values())
+    all_cells = list(operator.model.geometry.get_all_cells().values())
     assert all_cells[0].fill[0].volume == 51
     assert all_cells[1].fill[0].volume == 51
     # mat2 is not depletable
     assert all_cells[2].fill.volume is None
-
diff --git a/tests/unit_tests/test_model.py b/tests/unit_tests/test_model.py
index 682afb41a..24f136c8c 100644
--- a/tests/unit_tests/test_model.py
+++ b/tests/unit_tests/test_model.py
@@ -457,6 +457,20 @@ def test_deplete(run_in_tmpdir, pin_model_attributes, mpi_intracomm):
     assert after_xe + after_u == pytest.approx(initial_u, abs=1e-15)
     assert test_model.is_initialized is False
 
+    # check the tally output
+    def check_tally_output():
+        with openmc.StatePoint('openmc_simulation_n0.h5') as sp:
+            flux = sp.get_tally(id=1).get_values(scores=['flux'])[0, 0, 0]
+            fission = sp.get_tally(id=1).get_values(
+                scores=['fission'])[0, 0, 0]
+
+            # we're mainly just checking that the result was produced,
+            # so a rough numerical comparison doesn't hurt to have.
+            assert flux == pytest.approx(13.1, abs=0.2)
+            assert fission == pytest.approx(0.47, abs=0.2)
+
+    check_tally_output()
+
     # Reset the initial material densities
     mats[0].nuclides.clear()
     densities = initial_mat.get_nuclide_atom_densities()
@@ -481,6 +495,8 @@ def test_deplete(run_in_tmpdir, pin_model_attributes, mpi_intracomm):
     assert after_xe == pytest.approx(after_lib_xe, abs=1e-15)
     assert after_u == pytest.approx(after_lib_u, abs=1e-15)
 
+    check_tally_output()
+
     test_model.finalize_lib()
 
 
@@ -531,6 +547,7 @@ def test_calc_volumes(run_in_tmpdir, pin_model_attributes, mpi_intracomm):
 
     test_model.finalize_lib()
 
+
 def test_model_xml(run_in_tmpdir):
 
     # load a model from examples
@@ -549,6 +566,7 @@ def test_model_xml(run_in_tmpdir):
     # XML files
     new_model.export_to_xml()
 
+
 def test_single_xml_exec(run_in_tmpdir):
 
     pincell_model = openmc.examples.pwr_pin_cell()

From e6a36ff7960e71cbe3a83a53138b61b61ad32bc5 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 23 Jan 2024 06:54:08 -0600
Subject: [PATCH 2025/2654] Add C API function for getting mesh bins for
 rasterized plot (#2854)

---
 openmc/lib/mesh.py           | 48 ++++++++++++++++++++++++++++-
 setup.py                     |  2 +-
 src/mesh.cpp                 | 58 ++++++++++++++++++++++++++++++++++++
 tests/unit_tests/test_lib.py | 25 ++++++++++++++++
 4 files changed, 131 insertions(+), 2 deletions(-)

diff --git a/openmc/lib/mesh.py b/openmc/lib/mesh.py
index 8a9953754..599b750fb 100644
--- a/openmc/lib/mesh.py
+++ b/openmc/lib/mesh.py
@@ -2,7 +2,7 @@ from collections.abc import Mapping
 from ctypes import (c_int, c_int32, c_char_p, c_double, POINTER, Structure,
                     create_string_buffer, c_uint64, c_size_t)
 from random import getrandbits
-from typing import Optional, List, Tuple
+from typing import Optional, List, Tuple, Sequence
 from weakref import WeakValueDictionary
 
 import numpy as np
@@ -13,6 +13,7 @@ from . import _dll
 from .core import _FortranObjectWithID
 from .error import _error_handler
 from .material import Material
+from .plot import _Position
 
 __all__ = ['RegularMesh', 'RectilinearMesh', 'CylindricalMesh', 'SphericalMesh', 'UnstructuredMesh', 'meshes']
 
@@ -43,6 +44,11 @@ _dll.openmc_mesh_material_volumes.argtypes = [
     POINTER(c_int), POINTER(c_uint64)]
 _dll.openmc_mesh_material_volumes.restype = c_int
 _dll.openmc_mesh_material_volumes.errcheck = _error_handler
+_dll.openmc_mesh_get_plot_bins.argtypes = [
+    c_int32, _Position, _Position, c_int, POINTER(c_int), POINTER(c_int32)
+]
+_dll.openmc_mesh_get_plot_bins.restype = c_int
+_dll.openmc_mesh_get_plot_bins.errcheck = _error_handler
 _dll.openmc_get_mesh_index.argtypes = [c_int32, POINTER(c_int32)]
 _dll.openmc_get_mesh_index.restype = c_int
 _dll.openmc_get_mesh_index.errcheck = _error_handler
@@ -203,6 +209,46 @@ class Mesh(_FortranObjectWithID):
             ])
         return volumes
 
+    def get_plot_bins(
+            self,
+            origin: Sequence[float],
+            width: Sequence[float],
+            basis: str,
+            pixels: Sequence[int]
+    ) -> np.ndarray:
+        """Get mesh bin indices for a rasterized plot.
+
+        .. versionadded:: 0.14.1
+
+        Parameters
+        ----------
+        origin : iterable of float
+            Origin of the plotting view. Should have length 3.
+        width : iterable of float
+            Width of the plotting view. Should have length 2.
+        basis : {'xy', 'xz', 'yz'}
+            Plotting basis.
+        pixels : iterable of int
+            Number of pixels in each direction. Should have length 2.
+
+        Returns
+        -------
+        2D numpy array with mesh bin indices corresponding to each pixel within
+        the plotting view.
+
+        """
+        origin = _Position(*origin)
+        width = _Position(*width)
+        basis = {'xy': 1, 'xz': 2, 'yz': 3}[basis]
+        pixel_array = (c_int*2)(*pixels)
+        img_data = np.zeros((pixels[1], pixels[0]), dtype=np.dtype('int32'))
+
+        _dll.openmc_mesh_get_plot_bins(
+            self._index, origin, width, basis, pixel_array,
+            img_data.ctypes.data_as(POINTER(c_int32))
+        )
+        return img_data
+
 
 class RegularMesh(Mesh):
     """RegularMesh stored internally.
diff --git a/setup.py b/setup.py
index eeb0b3f29..84a2ad367 100755
--- a/setup.py
+++ b/setup.py
@@ -64,7 +64,7 @@ kwargs = {
     # Dependencies
     'python_requires': '>=3.7',
     'install_requires': [
-        'numpy>=1.9', 'h5py', 'scipy', 'ipython', 'matplotlib',
+        'numpy>=1.9', 'h5py', 'scipy<1.12', 'ipython', 'matplotlib',
         'pandas', 'lxml', 'uncertainties'
     ],
     'extras_require': {
diff --git a/src/mesh.cpp b/src/mesh.cpp
index b70692347..f343b27e3 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -29,6 +29,7 @@
 #include "openmc/message_passing.h"
 #include "openmc/openmp_interface.h"
 #include "openmc/particle_data.h"
+#include "openmc/plot.h"
 #include "openmc/random_dist.h"
 #include "openmc/search.h"
 #include "openmc/settings.h"
@@ -1898,6 +1899,63 @@ extern "C" int openmc_mesh_material_volumes(int32_t index, int n_sample,
   return (n == -1) ? OPENMC_E_ALLOCATE : 0;
 }
 
+extern "C" int openmc_mesh_get_plot_bins(int32_t index, Position origin,
+  Position width, int basis, int* pixels, int32_t* data)
+{
+  if (int err = check_mesh(index))
+    return err;
+  const auto& mesh = model::meshes[index].get();
+
+  int pixel_width = pixels[0];
+  int pixel_height = pixels[1];
+
+  // get pixel size
+  double in_pixel = (width[0]) / static_cast<double>(pixel_width);
+  double out_pixel = (width[1]) / static_cast<double>(pixel_height);
+
+  // setup basis indices and initial position centered on pixel
+  int in_i, out_i;
+  Position xyz = origin;
+  enum class PlotBasis { xy = 1, xz = 2, yz = 3 };
+  PlotBasis basis_enum = static_cast<PlotBasis>(basis);
+  switch (basis_enum) {
+  case PlotBasis::xy:
+    in_i = 0;
+    out_i = 1;
+    break;
+  case PlotBasis::xz:
+    in_i = 0;
+    out_i = 2;
+    break;
+  case PlotBasis::yz:
+    in_i = 1;
+    out_i = 2;
+    break;
+  default:
+    UNREACHABLE();
+  }
+
+  // set initial position
+  xyz[in_i] = origin[in_i] - width[0] / 2. + in_pixel / 2.;
+  xyz[out_i] = origin[out_i] + width[1] / 2. - out_pixel / 2.;
+
+#pragma omp parallel
+  {
+    Position r = xyz;
+
+#pragma omp for
+    for (int y = 0; y < pixel_height; y++) {
+      r[out_i] = xyz[out_i] - out_pixel * y;
+      for (int x = 0; x < pixel_width; x++) {
+        r[in_i] = xyz[in_i] + in_pixel * x;
+        data[pixel_width * y + x] = mesh->get_bin(r);
+      }
+    }
+  }
+
+  return 0;
+}
+
 //! Get the dimension of a regular mesh
 extern "C" int openmc_regular_mesh_get_dimension(
   int32_t index, int** dims, int* n)
diff --git a/tests/unit_tests/test_lib.py b/tests/unit_tests/test_lib.py
index 8aa2ea6e9..6ae13ef76 100644
--- a/tests/unit_tests/test_lib.py
+++ b/tests/unit_tests/test_lib.py
@@ -605,6 +605,31 @@ def test_regular_mesh(lib_init):
         assert sum(f[1] for f in elem_vols) == pytest.approx(1.26 * 1.26, 1e-2)
 
 
+def test_regular_mesh_get_plot_bins(lib_init):
+    mesh: openmc.lib.RegularMesh = openmc.lib.meshes[2]
+    mesh.dimension = (2, 2, 1)
+    mesh.set_parameters(lower_left=(-1.0, -1.0, -0.5),
+                        upper_right=(1.0, 1.0, 0.5))
+
+    # Get bins for a plot view covering only a single mesh bin
+    mesh_bins = mesh.get_plot_bins((-0.5, -0.5, 0.), (0.1, 0.1), 'xy', (20, 20))
+    assert (mesh_bins == 0).all()
+    mesh_bins = mesh.get_plot_bins((0.5, 0.5, 0.), (0.1, 0.1), 'xy', (20, 20))
+    assert (mesh_bins == 3).all()
+
+    # Get bins for a plot view covering all mesh bins. Note that the y direction
+    # (first dimension) is flipped for plotting purposes
+    mesh_bins = mesh.get_plot_bins((0., 0., 0.), (2., 2.), 'xy', (20, 20))
+    assert (mesh_bins[:10, :10] == 2).all()
+    assert (mesh_bins[:10, 10:] == 3).all()
+    assert (mesh_bins[10:, :10] == 0).all()
+    assert (mesh_bins[10:, 10:] == 1).all()
+
+    # Get bins for a plot view outside of the mesh
+    mesh_bins = mesh.get_plot_bins((100., 100., 0.), (2., 2.), 'xy', (20, 20))
+    assert (mesh_bins == -1).all()
+
+
 def test_rectilinear_mesh(lib_init):
     mesh = openmc.lib.RectilinearMesh()
     x_grid = [-10., 0., 10.]

From 09eb33ac217dc7695049e5b7f76d45f6332a1499 Mon Sep 17 00:00:00 2001
From: Davide Mancusi <arekfu@users.noreply.github.com>
Date: Tue, 23 Jan 2024 16:48:21 +0100
Subject: [PATCH 2026/2654] Fix compilation on CentOS 7 (missing link to libdl)
 (#2849)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 CMakeLists.txt | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/CMakeLists.txt b/CMakeLists.txt
index bf3555d84..ec6ea6179 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -497,7 +497,7 @@ endif()
 # target_link_libraries treats any arguments starting with - but not -l as
 # linker flags. Thus, we can pass both linker flags and libraries together.
 target_link_libraries(libopenmc ${ldflags} ${HDF5_LIBRARIES} ${HDF5_HL_LIBRARIES}
-                      xtensor gsl::gsl-lite-v1 fmt::fmt)
+                      xtensor gsl::gsl-lite-v1 fmt::fmt ${CMAKE_DL_LIBS})
 
 if(TARGET pugixml::pugixml)
   target_link_libraries(libopenmc pugixml::pugixml)

From cb7ef009b9f6865267b7f683abc5b4f16673669a Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Mon, 29 Jan 2024 18:59:16 -0600
Subject: [PATCH 2027/2654] Setting surf_source_ attribute for DAGMC surfaces.
 (#2857)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 src/dagmc.cpp                               |  4 +++
 tests/regression_tests/dagmc/legacy/test.py | 36 +++++++++++++++++++--
 2 files changed, 37 insertions(+), 3 deletions(-)

diff --git a/src/dagmc.cpp b/src/dagmc.cpp
index 56722fde6..6a4865c39 100644
--- a/src/dagmc.cpp
+++ b/src/dagmc.cpp
@@ -280,6 +280,10 @@ void DAGUniverse::init_geometry()
     s->id_ = adjust_geometry_ids_ ? next_surf_id++
                                   : dagmc_instance_->id_by_index(2, i + 1);
 
+    // set surface source attribute if needed
+    if (contains(settings::source_write_surf_id, s->id_))
+      s->surf_source_ = true;
+
     // set BCs
     std::string bc_value =
       dmd_ptr->get_surface_property("boundary", surf_handle);
diff --git a/tests/regression_tests/dagmc/legacy/test.py b/tests/regression_tests/dagmc/legacy/test.py
index 7e4e6e134..884264f30 100644
--- a/tests/regression_tests/dagmc/legacy/test.py
+++ b/tests/regression_tests/dagmc/legacy/test.py
@@ -1,9 +1,13 @@
+from pathlib import Path
+
 import openmc
 import openmc.lib
 
-from pathlib import Path
+import h5py
+import numpy as np
 import pytest
-from tests.testing_harness import PyAPITestHarness
+
+from tests.testing_harness import PyAPITestHarness, config
 
 pytestmark = pytest.mark.skipif(
     not openmc.lib._dagmc_enabled(),
@@ -13,7 +17,7 @@ pytestmark = pytest.mark.skipif(
 def model():
     openmc.reset_auto_ids()
 
-    model = openmc.model.Model()
+    model = openmc.Model()
 
     # settings
     model.settings.batches = 5
@@ -73,6 +77,32 @@ def test_missing_material_name(model):
     assert exp_error_msg in str(exec_info.value)
 
 
+def test_surf_source(model):
+    # create a surface source read on this model to ensure
+    # particles are being generated correctly
+    n = 100
+    model.settings.surf_source_write = {'surface_ids': [1], 'max_particles': n}
+
+    # If running in MPI mode, setup proper keyword arguments for run()
+    kwargs = {'openmc_exec': config['exe']}
+    if config['mpi']:
+        kwargs['mpi_args'] = [config['mpiexec'], '-n', config['mpi_np']]
+    model.run(**kwargs)
+
+    with h5py.File('surface_source.h5') as fh:
+        assert fh.attrs['filetype'] == b'source'
+        arr = fh['source_bank'][...]
+    expected_size = n * int(config['mpi_np']) if config['mpi'] else n
+    assert arr.size == expected_size
+
+    # check that all particles are on surface 1 (radius = 7)
+    xs = arr[:]['r']['x']
+    ys = arr[:]['r']['y']
+    rad = np.sqrt(xs**2 + ys**2)
+    assert np.allclose(rad, 7.0)
+
+
 def test_dagmc(model):
     harness = PyAPITestHarness('statepoint.5.h5', model)
     harness.main()
+

From f14fc55e60463710d3f165b0a9cdc2ef9fee1534 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 30 Jan 2024 21:24:30 -0600
Subject: [PATCH 2028/2654] Add bounding_box property to RectilinearMesh and
 UnstructuredMesh (#2861)

---
 openmc/mesh.py                | 65 ++++++++++++++++++++++-------------
 tests/unit_tests/test_mesh.py | 12 ++++++-
 2 files changed, 52 insertions(+), 25 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 435a44d2c..a12bd5853 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -1,3 +1,4 @@
+from __future__ import annotations
 import typing
 import warnings
 from abc import ABC, abstractmethod
@@ -35,6 +36,9 @@ class MeshBase(IDManagerMixin, ABC):
         Unique identifier for the mesh
     name : str
         Name of the mesh
+    bounding_box : openmc.BoundingBox
+        Axis-aligned bounding box of the mesh as defined by the upper-right and
+        lower-left coordinates.
 
     """
 
@@ -58,6 +62,10 @@ class MeshBase(IDManagerMixin, ABC):
         else:
             self._name = ''
 
+    @property
+    def bounding_box(self) -> openmc.BoundingBox:
+        return openmc.BoundingBox(self.lower_left, self.upper_right)
+
     def __repr__(self):
         string = type(self).__name__ + '\n'
         string += '{0: <16}{1}{2}\n'.format('\tID', '=\t', self._id)
@@ -507,9 +515,9 @@ class RegularMesh(StructuredMesh):
     upper_right : Iterable of float
         The upper-right corner of the structured mesh. If only two coordinate
         are given, it is assumed that the mesh is an x-y mesh.
-    bounding_box: openmc.BoundingBox
-        Axis-aligned bounding box of the cell defined by the upper-right and lower-
-        left coordinates
+    bounding_box : openmc.BoundingBox
+        Axis-aligned bounding box of the mesh as defined by the upper-right and
+        lower-left coordinates.
     width : Iterable of float
         The width of mesh cells in each direction.
     indices : Iterable of tuple
@@ -660,12 +668,6 @@ class RegularMesh(StructuredMesh):
             x1, = self.upper_right
             return (np.linspace(x0, x1, nx + 1),)
 
-    @property
-    def bounding_box(self):
-        return openmc.BoundingBox(
-            np.array(self.lower_left), np.array(self.upper_right)
-        )
-
     def __repr__(self):
         string = super().__repr__()
         string += '{0: <16}{1}{2}\n'.format('\tDimensions', '=\t', self.n_dimension)
@@ -1005,6 +1007,9 @@ class RectilinearMesh(StructuredMesh):
     indices : Iterable of tuple
         An iterable of mesh indices for each mesh element, e.g. [(1, 1, 1),
         (2, 1, 1), ...]
+    bounding_box : openmc.BoundingBox
+        Axis-aligned bounding box of the mesh as defined by the upper-right and
+        lower-left coordinates.
 
     """
 
@@ -1056,6 +1061,14 @@ class RectilinearMesh(StructuredMesh):
     def _grids(self):
         return (self.x_grid, self.y_grid, self.z_grid)
 
+    @property
+    def lower_left(self):
+        return np.array([self.x_grid[0], self.y_grid[0], self.z_grid[0]])
+
+    @property
+    def upper_right(self):
+        return np.array([self.x_grid[-1], self.y_grid[-1], self.z_grid[-1]])
+
     @property
     def volumes(self):
         """Return Volumes for every mesh cell
@@ -1222,9 +1235,9 @@ class CylindricalMesh(StructuredMesh):
     upper_right : Iterable of float
         The upper-right corner of the structured mesh. If only two coordinate
         are given, it is assumed that the mesh is an x-y mesh.
-    bounding_box: openmc.OpenMC
-        Axis-aligned cartesian bounding box of cell defined by upper-right and lower-
-        left coordinates
+    bounding_box : openmc.BoundingBox
+        Axis-aligned bounding box of the mesh as defined by the upper-right and
+        lower-left coordinates.
 
     """
 
@@ -1321,10 +1334,6 @@ class CylindricalMesh(StructuredMesh):
             self.origin[2] + self.z_grid[-1]
         ))
 
-    @property
-    def bounding_box(self):
-        return openmc.BoundingBox(self.lower_left, self.upper_right)
-
     def __repr__(self):
         fmt = '{0: <16}{1}{2}\n'
         string = super().__repr__()
@@ -1666,8 +1675,8 @@ class SphericalMesh(StructuredMesh):
         The upper-right corner of the structured mesh. If only two coordinate
         are given, it is assumed that the mesh is an x-y mesh.
     bounding_box : openmc.BoundingBox
-        Axis-aligned bounding box of the cell defined by the upper-right and lower-
-        left coordinates
+        Axis-aligned bounding box of the mesh as defined by the upper-right and
+        lower-left coordinates.
 
     """
 
@@ -1758,10 +1767,6 @@ class SphericalMesh(StructuredMesh):
         r = self.r_grid[-1]
         return np.array((self.origin[0] + r, self.origin[1] + r, self.origin[2] + r))
 
-    @property
-    def bounding_box(self):
-        return openmc.BoundingBox(self.lower_left, self.upper_right)
-
     def __repr__(self):
         fmt = '{0: <16}{1}{2}\n'
         string = super().__repr__()
@@ -1943,8 +1948,8 @@ class UnstructuredMesh(MeshBase):
     library : {'moab', 'libmesh'}
         Mesh library used for the unstructured mesh tally
     output : bool
-        Indicates whether or not automatic tally output should
-        be generated for this mesh
+        Indicates whether or not automatic tally output should be generated for
+        this mesh
     volumes : Iterable of float
         Volumes of the unstructured mesh elements
     centroids : numpy.ndarray
@@ -1964,6 +1969,10 @@ class UnstructuredMesh(MeshBase):
         .. versionadded:: 0.13.1
     total_volume : float
         Volume of the unstructured mesh in total
+    bounding_box : openmc.BoundingBox
+        Axis-aligned bounding box of the mesh as defined by the upper-right and
+        lower-left coordinates.
+
     """
 
     _UNSUPPORTED_ELEM = -1
@@ -2096,6 +2105,14 @@ class UnstructuredMesh(MeshBase):
                                               self.length_multiplier)
         return string
 
+    @property
+    def lower_left(self):
+        return self.vertices.min(axis=0)
+
+    @property
+    def upper_right(self):
+        return self.vertices.max(axis=0)
+
     def centroid(self, bin: int):
         """Return the vertex averaged centroid of an element
 
diff --git a/tests/unit_tests/test_mesh.py b/tests/unit_tests/test_mesh.py
index 2a4ff6cbb..50e1236a8 100644
--- a/tests/unit_tests/test_mesh.py
+++ b/tests/unit_tests/test_mesh.py
@@ -4,7 +4,6 @@ import numpy as np
 import pytest
 import openmc
 
-from openmc import RegularMesh, RectilinearMesh, CylindricalMesh, SphericalMesh
 
 @pytest.mark.parametrize("val_left,val_right", [(0, 0), (-1., -1.), (2.0, 2)])
 def test_raises_error_when_flat(val_left, val_right):
@@ -49,6 +48,17 @@ def test_regular_mesh_bounding_box():
     np.testing.assert_array_equal(bb.upper_right, (2, 3, 5))
 
 
+def test_rectilinear_mesh_bounding_box():
+    mesh = openmc.RectilinearMesh()
+    mesh.x_grid = [0., 1., 5., 10.]
+    mesh.y_grid = [-10., -5., 0.]
+    mesh.z_grid = [-100., 0., 100.]
+    bb = mesh.bounding_box
+    assert isinstance(bb, openmc.BoundingBox)
+    np.testing.assert_array_equal(bb.lower_left, (0., -10. ,-100.))
+    np.testing.assert_array_equal(bb.upper_right, (10., 0., 100.))
+
+
 def test_cylindrical_mesh_bounding_box():
     # test with mesh at origin (0, 0, 0)
     mesh = openmc.CylindricalMesh(

From bf33a9e11bf288639df7d6aba9c6b39aeff0afdd Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 13 Feb 2024 06:44:05 -0600
Subject: [PATCH 2029/2654] Add `openmc_mesh_get_volumes` C API function
 (#2869)

---
 include/openmc/capi.h        |  1 +
 openmc/lib/mesh.py           | 28 +++++++++++++++++++++++++++-
 openmc/material.py           |  2 +-
 src/mesh.cpp                 | 11 +++++++++++
 tests/unit_tests/test_lib.py | 14 ++++++++++++++
 5 files changed, 54 insertions(+), 2 deletions(-)

diff --git a/include/openmc/capi.h b/include/openmc/capi.h
index 063ed8d9f..5f98152cd 100644
--- a/include/openmc/capi.h
+++ b/include/openmc/capi.h
@@ -106,6 +106,7 @@ int openmc_mesh_filter_set_translation(int32_t index, double translation[3]);
 int openmc_mesh_get_id(int32_t index, int32_t* id);
 int openmc_mesh_set_id(int32_t index, int32_t id);
 int openmc_mesh_get_n_elements(int32_t index, size_t* n);
+int openmc_mesh_get_volumes(int32_t index, double* volumes);
 int openmc_mesh_material_volumes(int32_t index, int n_sample, int bin,
   int result_size, void* result, int* hits, uint64_t* seed);
 int openmc_meshsurface_filter_get_mesh(int32_t index, int32_t* index_mesh);
diff --git a/openmc/lib/mesh.py b/openmc/lib/mesh.py
index 599b750fb..7f17dd81f 100644
--- a/openmc/lib/mesh.py
+++ b/openmc/lib/mesh.py
@@ -39,6 +39,9 @@ _dll.openmc_mesh_set_id.errcheck = _error_handler
 _dll.openmc_mesh_get_n_elements.argtypes = [c_int32, POINTER(c_size_t)]
 _dll.openmc_mesh_get_n_elements.restype = c_int
 _dll.openmc_mesh_get_n_elements.errcheck = _error_handler
+_dll.openmc_mesh_get_volumes.argtypes = [c_int32, POINTER(c_double)]
+_dll.openmc_mesh_get_volumes.restype = c_int
+_dll.openmc_mesh_get_volumes.errcheck = _error_handler
 _dll.openmc_mesh_material_volumes.argtypes = [
     c_int32, c_int, c_int, c_int, POINTER(_MaterialVolume),
     POINTER(c_int), POINTER(c_uint64)]
@@ -149,11 +152,18 @@ class Mesh(_FortranObjectWithID):
         _dll.openmc_mesh_set_id(self._index, mesh_id)
 
     @property
-    def n_elements(self):
+    def n_elements(self) -> int:
         n = c_size_t()
         _dll.openmc_mesh_get_n_elements(self._index, n)
         return n.value
 
+    @property
+    def volumes(self) -> np.ndarray:
+        volumes = np.empty((self.n_elements,))
+        _dll.openmc_mesh_get_volumes(
+            self._index, volumes.ctypes.data_as(POINTER(c_double)))
+        return volumes
+
     def material_volumes(
             self,
             n_samples: int = 10_000,
@@ -276,6 +286,10 @@ class RegularMesh(Mesh):
         are given, it is assumed that the mesh is an x-y mesh.
     width : numpy.ndarray
         The width of mesh cells in each direction.
+    n_elements : int
+        Total number of mesh elements.
+    volumes : numpy.ndarray
+        Volume of each mesh element in [cm^3]
 
     """
     mesh_type = 'regular'
@@ -358,6 +372,10 @@ class RectilinearMesh(Mesh):
         The upper-right corner of the structrued mesh.
     width : numpy.ndarray
         The width of mesh cells in each direction.
+    n_elements : int
+        Total number of mesh elements.
+    volumes : numpy.ndarray
+        Volume of each mesh element in [cm^3]
 
     """
     mesh_type = 'rectilinear'
@@ -457,6 +475,10 @@ class CylindricalMesh(Mesh):
         The upper-right corner of the structrued mesh.
     width : numpy.ndarray
         The width of mesh cells in each direction.
+    n_elements : int
+        Total number of mesh elements.
+    volumes : numpy.ndarray
+        Volume of each mesh element in [cm^3]
 
     """
     mesh_type = 'cylindrical'
@@ -555,6 +577,10 @@ class SphericalMesh(Mesh):
         The upper-right corner of the structrued mesh.
     width : numpy.ndarray
         The width of mesh cells in each direction.
+    n_elements : int
+        Total number of mesh elements.
+    volumes : numpy.ndarray
+        Volume of each mesh element in [cm^3]
 
     """
     mesh_type = 'spherical'
diff --git a/openmc/material.py b/openmc/material.py
index d42c489ae..c31862a18 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -571,7 +571,7 @@ class Material(IDManagerMixin):
 
         for component, params in components.items():
             cv.check_type('component', component, str)
-            if isinstance(params, float):
+            if isinstance(params, Real):
                 params = {'percent': params}
 
             else:
diff --git a/src/mesh.cpp b/src/mesh.cpp
index f343b27e3..bc6781ad3 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -1881,6 +1881,17 @@ extern "C" int openmc_mesh_get_n_elements(int32_t index, size_t* n)
   return 0;
 }
 
+//! Get the volume of each element in the mesh
+extern "C" int openmc_mesh_get_volumes(int32_t index, double* volumes)
+{
+  if (int err = check_mesh(index))
+    return err;
+  for (int i = 0; i < model::meshes[index]->n_bins(); ++i) {
+    volumes[i] = model::meshes[index]->volume(i);
+  }
+  return 0;
+}
+
 extern "C" int openmc_mesh_material_volumes(int32_t index, int n_sample,
   int bin, int result_size, void* result, int* hits, uint64_t* seed)
 {
diff --git a/tests/unit_tests/test_lib.py b/tests/unit_tests/test_lib.py
index 6ae13ef76..1310a6a7f 100644
--- a/tests/unit_tests/test_lib.py
+++ b/tests/unit_tests/test_lib.py
@@ -566,6 +566,8 @@ def test_regular_mesh(lib_init):
     assert mesh.upper_right == pytest.approx(ur)
     assert mesh.width == pytest.approx(width)
 
+    np.testing.assert_allclose(mesh.volumes, 1.0)
+
     meshes = openmc.lib.meshes
     assert isinstance(meshes, Mapping)
     assert len(meshes) == 1
@@ -644,6 +646,8 @@ def test_rectilinear_mesh(lib_init):
             for k, diff_z in enumerate(np.diff(z_grid)):
                 assert np.all(mesh.width[i, j, k, :] == (10, 10, 10))
 
+    np.testing.assert_allclose(mesh.volumes, 1000.0)
+
     with pytest.raises(exc.AllocationError):
         mesh2 = openmc.lib.RectilinearMesh(mesh.id)
 
@@ -688,6 +692,9 @@ def test_cylindrical_mesh(lib_init):
             for k, _ in enumerate(np.diff(z_grid)):
                 assert np.allclose(mesh.width[i, j, k, :], (5, deg2rad(10), 10))
 
+    np.testing.assert_allclose(mesh.volumes[::2], 10/360 * pi * 5**2 * 10)
+    np.testing.assert_allclose(mesh.volumes[1::2], 10/360 * pi * (10**2 - 5**2) * 10)
+
     with pytest.raises(exc.AllocationError):
         mesh2 = openmc.lib.CylindricalMesh(mesh.id)
 
@@ -734,6 +741,13 @@ def test_spherical_mesh(lib_init):
             for k, _ in enumerate(np.diff(phi_grid)):
                 assert np.allclose(mesh.width[i, j, k, :], (5, deg2rad(10), deg2rad(10)))
 
+    dtheta = lambda d1, d2: np.cos(deg2rad(d1)) - np.cos(deg2rad(d2))
+    f = 1/3 * deg2rad(10.)
+    np.testing.assert_allclose(mesh.volumes[::4],  f * 5**3 * dtheta(0., 10.))
+    np.testing.assert_allclose(mesh.volumes[1::4], f * (10**3 - 5**3) * dtheta(0., 10.))
+    np.testing.assert_allclose(mesh.volumes[2::4], f * 5**3 * dtheta(10., 20.))
+    np.testing.assert_allclose(mesh.volumes[3::4], f * (10**3 - 5**3) * dtheta(10., 20.))
+
     with pytest.raises(exc.AllocationError):
         mesh2 = openmc.lib.SphericalMesh(mesh.id)
 

From 33c910ddd3cb99bab974184343b37d90034140a6 Mon Sep 17 00:00:00 2001
From: John Tramm <john.tramm@gmail.com>
Date: Wed, 14 Feb 2024 23:19:10 -0600
Subject: [PATCH 2030/2654] Fix issue with Cell::get_contained_cells() utility
 function (#2873)

---
 src/cell.cpp | 3 +++
 1 file changed, 3 insertions(+)

diff --git a/src/cell.cpp b/src/cell.cpp
index 00083d967..a46f05687 100644
--- a/src/cell.cpp
+++ b/src/cell.cpp
@@ -1272,6 +1272,9 @@ struct ParentCellStack {
   //! compute an instance for the provided distribcell index
   int32_t compute_instance(int32_t distribcell_index) const
   {
+    if (distribcell_index == C_NONE)
+      return 0;
+
     int32_t instance = 0;
     for (const auto& parent_cell : this->parent_cells_) {
       auto& cell = model::cells[parent_cell.cell_index];

From 5005c3cdc6fba0ee9eb945ff6f9816f50a8d724e Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Thu, 15 Feb 2024 07:30:46 +0000
Subject: [PATCH 2031/2654] type hinting  openmc.deplete.abc.py (#2866)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/deplete/abc.py | 76 ++++++++++++++++++++++++++++++++-----------
 1 file changed, 57 insertions(+), 19 deletions(-)

diff --git a/openmc/deplete/abc.py b/openmc/deplete/abc.py
index 60774871c..1dea8440c 100644
--- a/openmc/deplete/abc.py
+++ b/openmc/deplete/abc.py
@@ -3,6 +3,7 @@
 This module contains Abstract Base Classes for implementing operator, integrator, depletion system solver, and operator helper classes
 """
 
+from __future__ import annotations
 from abc import ABC, abstractmethod
 from collections import namedtuple, defaultdict
 from collections.abc import Iterable, Callable
@@ -13,17 +14,20 @@ from contextlib import contextmanager
 import os
 from pathlib import Path
 import time
+from typing import Optional, Union, Sequence
 from warnings import warn
 
-from numpy import nonzero, empty, asarray
+import numpy as np
 from uncertainties import ufloat
 
 from openmc.checkvalue import check_type, check_greater_than, PathLike
 from openmc.mpi import comm
+from openmc import Material
 from .stepresult import StepResult
 from .chain import Chain
 from .results import Results
 from .pool import deplete
+from .reaction_rates import ReactionRates
 from .transfer_rates import TransferRates
 
 
@@ -176,7 +180,7 @@ class TransportOperator(ABC):
         pass
 
     @abstractmethod
-    def write_bos_data(self, step):
+    def write_bos_data(self, step: int):
         """Document beginning of step data for a given step
 
         Called at the beginning of a depletion step and at
@@ -215,7 +219,7 @@ class ReactionRateHelper(ABC):
 
     def __init__(self, n_nucs, n_react):
         self._nuclides = None
-        self._results_cache = empty((n_nucs, n_react))
+        self._results_cache = np.empty((n_nucs, n_react))
 
     @abstractmethod
     def generate_tallies(self, materials, scores):
@@ -232,7 +236,12 @@ class ReactionRateHelper(ABC):
         self._nuclides = nuclides
 
     @abstractmethod
-    def get_material_rates(self, mat_id, nuc_index, react_index):
+    def get_material_rates(
+        self,
+        mat_id: int,
+        nuc_index: Sequence[str],
+        react_index: Sequence[str]
+    ):
         """Return 2D array of [nuclide, reaction] reaction rates
 
         Parameters
@@ -245,7 +254,7 @@ class ReactionRateHelper(ABC):
             Ordering of reactions
         """
 
-    def divide_by_atoms(self, number):
+    def divide_by_atoms(self, number: Sequence[float]):
         """Normalize reaction rates by number of atoms
 
         Acts on the current material examined by :meth:`get_material_rates`
@@ -262,7 +271,7 @@ class ReactionRateHelper(ABC):
             normalized by the number of nuclides
         """
 
-        mask = nonzero(number)
+        mask = np.nonzero(number)
         results = self._results_cache
         for col in range(results.shape[1]):
             results[mask, col] /= number[mask]
@@ -294,7 +303,7 @@ class NormalizationHelper(ABC):
         """Reset state for normalization"""
 
     @abstractmethod
-    def prepare(self, chain_nucs, rate_index):
+    def prepare(self, chain_nucs: Sequence[str], rate_index: dict):
         """Perform work needed to obtain energy produced
 
         This method is called prior to calculating the reaction rates
@@ -333,7 +342,7 @@ class NormalizationHelper(ABC):
         self._nuclides = nuclides
 
     @abstractmethod
-    def factor(self, source_rate):
+    def factor(self, source_rate: float):
         """Return normalization factor
 
         Parameters
@@ -436,7 +445,7 @@ class FissionYieldHelper(ABC):
             in parallel mode.
         """
 
-    def update_tally_nuclides(self, nuclides):
+    def update_tally_nuclides(self, nuclides: Sequence[str]) -> list:
         """Return nuclides with non-zero densities and yield data
 
         Parameters
@@ -559,8 +568,16 @@ class Integrator(ABC):
 
     """
 
-    def __init__(self, operator, timesteps, power=None, power_density=None,
-                 source_rates=None, timestep_units='s', solver="cram48"):
+    def __init__(
+            self,
+            operator: TransportOperator,
+            timesteps: Sequence[float],
+            power: Optional[Union[float, Sequence[float]]] = None,
+            power_density: Optional[Union[float, Sequence[float]]] = None,
+            source_rates: Optional[Sequence[float]] = None,
+            timestep_units: str = 's',
+            solver: str = "cram48"
+        ):
         # Check number of stages previously used
         if operator.prev_res is not None:
             res = operator.prev_res[-1]
@@ -632,8 +649,8 @@ class Integrator(ABC):
             else:
                 raise ValueError("Invalid timestep unit '{}'".format(unit))
 
-        self.timesteps = asarray(seconds)
-        self.source_rates = asarray(source_rates)
+        self.timesteps = np.asarray(seconds)
+        self.source_rates = np.asarray(source_rates)
 
         self.transfer_rates = None
 
@@ -692,7 +709,14 @@ class Integrator(ABC):
         return time.time() - start, results
 
     @abstractmethod
-    def __call__(self, n, rates, dt, source_rate, i):
+    def __call__(
+        self,
+        n: Sequence[np.ndarray],
+        rates: ReactionRates,
+        dt: float,
+        source_rate: float,
+        i: int
+    ):
         """Perform the integration across one time step
 
         Parameters
@@ -829,8 +853,14 @@ class Integrator(ABC):
 
         self.operator.finalize()
 
-    def add_transfer_rate(self, material, components, transfer_rate,
-                         transfer_rate_units='1/s', destination_material=None):
+    def add_transfer_rate(
+            self,
+            material: Union[str, int, Material],
+            components: Sequence[str],
+            transfer_rate: float,
+            transfer_rate_units: str = '1/s',
+            destination_material: Optional[Union[str, int, Material]] = None
+        ):
         """Add transfer rates to depletable material.
 
         Parameters
@@ -943,9 +973,17 @@ class SIIntegrator(Integrator):
 
     """
 
-    def __init__(self, operator, timesteps, power=None, power_density=None,
-                 source_rates=None, timestep_units='s', n_steps=10,
-                 solver="cram48"):
+    def __init__(
+            self,
+            operator: TransportOperator,
+            timesteps: Sequence[float],
+            power: Optional[Union[float, Sequence[float]]] = None,
+            power_density: Optional[Union[float, Sequence[float]]] = None,
+            source_rates: Optional[Sequence[float]] = None,
+            timestep_units: str = 's',
+            n_steps: int = 10,
+            solver: str = "cram48"
+        ):
         check_type("n_steps", n_steps, Integral)
         check_greater_than("n_steps", n_steps, 0)
         super().__init__(

From 3b575a4daa343a8598dff5f0b191da5b7c9b3019 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 16 Feb 2024 15:16:36 -0600
Subject: [PATCH 2032/2654] Adding openmc.read_source_file (#2858)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 docs/source/pythonapi/base.rst       |  1 +
 openmc/source.py                     | 34 ++++++++++++++++++++++++++++
 tests/unit_tests/test_source_file.py | 24 ++++++++++++++++++++
 3 files changed, 59 insertions(+)

diff --git a/docs/source/pythonapi/base.rst b/docs/source/pythonapi/base.rst
index 705aecee9..7b924e374 100644
--- a/docs/source/pythonapi/base.rst
+++ b/docs/source/pythonapi/base.rst
@@ -35,6 +35,7 @@ Simulation Settings
    :nosignatures:
    :template: myfunction.rst
 
+   openmc.read_source_file
    openmc.write_source_file
    openmc.wwinp_to_wws
 
diff --git a/openmc/source.py b/openmc/source.py
index 1ba90c921..441bf4e76 100644
--- a/openmc/source.py
+++ b/openmc/source.py
@@ -885,3 +885,37 @@ def write_source_file(
     with h5py.File(filename, **kwargs) as fh:
         fh.attrs['filetype'] = np.string_("source")
         fh.create_dataset('source_bank', data=arr, dtype=source_dtype)
+
+
+def read_source_file(filename: PathLike) -> typing.List[SourceParticle]:
+    """Read a source file and return a list of source particles.
+
+    .. versionadded:: 0.14.1
+
+    Parameters
+    ----------
+    filename : str or path-like
+        Path to source file to read
+
+    Returns
+    -------
+    list of SourceParticle
+        Source particles read from file
+
+    See Also
+    --------
+    openmc.SourceParticle
+
+    """
+    with h5py.File(filename, 'r') as fh:
+        filetype = fh.attrs['filetype']
+        arr = fh['source_bank'][...]
+
+    if filetype != b'source':
+        raise ValueError(f'File {filename} is not a source file')
+
+    source_particles = []
+    for *params, particle in arr:
+        source_particles.append(SourceParticle(*params, ParticleType(particle)))
+
+    return source_particles
diff --git a/tests/unit_tests/test_source_file.py b/tests/unit_tests/test_source_file.py
index ec10260ba..d9fb3c1f9 100644
--- a/tests/unit_tests/test_source_file.py
+++ b/tests/unit_tests/test_source_file.py
@@ -45,6 +45,30 @@ def test_source_file(run_in_tmpdir):
     assert np.all(arr['particle'] == 0)
 
 
+    # Ensure sites read in are consistent
+    sites = openmc.read_source_file('test_source.h5')
+
+    assert filetype == b'source'
+    xs = np.array([site.r[0] for site in sites])
+    ys = np.array([site.r[1] for site in sites])
+    zs = np.array([site.r[2] for site in sites])
+    assert np.all((xs > 0.0) & (xs < 1.0))
+    assert np.all(ys == np.arange(1000))
+    assert np.all(zs == 0.0)
+    u = np.array([s.u for s in sites])
+    assert np.all(u[..., 0] == 0.0)
+    assert np.all(u[..., 1] == 0.0)
+    assert np.all(u[..., 2] == 1.0)
+    E = np.array([s.E for s in sites])
+    assert np.all(E == n - np.arange(n))
+    wgt = np.array([s.wgt for s in sites])
+    assert np.all(wgt == 1.0)
+    dgs = np.array([s.delayed_group for s in sites])
+    assert np.all(dgs == 0)
+    p_types = np.array([s.particle for s in sites])
+    assert np.all(p_types == 0)
+
+
 def test_wrong_source_attributes(run_in_tmpdir):
     # Create a source file with animal attributes
     source_dtype = np.dtype([

From e8f68a0159302f69ad04f0ca56e062f88324a411 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Sat, 17 Feb 2024 18:21:52 +0000
Subject: [PATCH 2033/2654] adding resulting nuclide to cross section plot
 legend (#2851)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/data/data.py     |  87 +++++++++++++++++++
 openmc/deplete/chain.py | 188 +++++++++++++++++++---------------------
 openmc/plotter.py       |   5 ++
 3 files changed, 183 insertions(+), 97 deletions(-)

diff --git a/openmc/data/data.py b/openmc/data/data.py
index 609a901d9..7caf31e26 100644
--- a/openmc/data/data.py
+++ b/openmc/data/data.py
@@ -179,6 +179,93 @@ ATOMIC_SYMBOL = {0: 'n', 1: 'H', 2: 'He', 3: 'Li', 4: 'Be', 5: 'B', 6: 'C',
                  118: 'Og'}
 ATOMIC_NUMBER = {value: key for key, value in ATOMIC_SYMBOL.items()}
 
+DADZ = {
+    '(n,2nd)': (-3, -1),
+    '(n,2n)': (-1, 0),
+    '(n,3n)': (-2, 0),
+    '(n,na)': (-4, -2),
+    '(n,n3a)': (-12, -6),
+    '(n,2na)': (-5, -2),
+    '(n,3na)': (-6, -2),
+    '(n,np)': (-1, -1),
+    '(n,n2a)': (-8, -4),
+    '(n,2n2a)': (-9, -4),
+    '(n,nd)': (-2, -1),
+    '(n,nt)': (-3, -1),
+    '(n,n3He)': (-3, -2),
+    '(n,nd2a)': (-10, -5),
+    '(n,nt2a)': (-11, -5),
+    '(n,4n)': (-3, 0),
+    '(n,2np)': (-2, -1),
+    '(n,3np)': (-3, -1),
+    '(n,n2p)': (-2, -2),
+    '(n,npa)': (-5, -3),
+    '(n,gamma)': (1, 0),
+    '(n,p)': (0, -1),
+    '(n,d)': (-1, -1),
+    '(n,t)': (-2, -1),
+    '(n,3He)': (-2, -2),
+    '(n,a)': (-3, -2),
+    '(n,2a)': (-7, -4),
+    '(n,3a)': (-11, -6),
+    '(n,2p)': (-1, -2),
+    '(n,pa)': (-4, -3),
+    '(n,t2a)': (-10, -5),
+    '(n,d2a)': (-9, -5),
+    '(n,pd)': (-2, -2),
+    '(n,pt)': (-3, -2),
+    '(n,da)': (-5, -3),
+    '(n,5n)': (-4, 0),
+    '(n,6n)': (-5, 0),
+    '(n,2nt)': (-4, -1),
+    '(n,ta)': (-6, -3),
+    '(n,4np)': (-4, -1),
+    '(n,3nd)': (-4, -1),
+    '(n,nda)': (-6, -3),
+    '(n,2npa)': (-6, -3),
+    '(n,7n)': (-6, 0),
+    '(n,8n)': (-7, 0),
+    '(n,5np)': (-5, -1),
+    '(n,6np)': (-6, -1),
+    '(n,7np)': (-7, -1),
+    '(n,4na)': (-7, -2),
+    '(n,5na)': (-8, -2),
+    '(n,6na)': (-9, -2),
+    '(n,7na)': (-10, -2),
+    '(n,4nd)': (-5, -1),
+    '(n,5nd)': (-6, -1),
+    '(n,6nd)': (-7, -1),
+    '(n,3nt)': (-5, -1),
+    '(n,4nt)': (-6, -1),
+    '(n,5nt)': (-7, -1),
+    '(n,6nt)': (-8, -1),
+    '(n,2n3He)': (-4, -2),
+    '(n,3n3He)': (-5, -2),
+    '(n,4n3He)': (-6, -2),
+    '(n,3n2p)': (-4, -2),
+    '(n,3n2a)': (-10, -4),
+    '(n,3npa)': (-7, -3),
+    '(n,dt)': (-4, -2),
+    '(n,npd)': (-3, -2),
+    '(n,npt)': (-4, -2),
+    '(n,ndt)': (-5, -2),
+    '(n,np3He)': (-4, -3),
+    '(n,nd3He)': (-5, -3),
+    '(n,nt3He)': (-6, -3),
+    '(n,nta)': (-7, -3),
+    '(n,2n2p)': (-3, -2),
+    '(n,p3He)': (-4, -3),
+    '(n,d3He)': (-5, -3),
+    '(n,3Hea)': (-6, -4),
+    '(n,4n2p)': (-5, -2),
+    '(n,4n2a)': (-11, -4),
+    '(n,4npa)': (-8, -3),
+    '(n,3p)': (-2, -3),
+    '(n,n3p)': (-3, -3),
+    '(n,3n2pa)': (-8, -4),
+    '(n,5n2p)': (-6, -2),
+}
+
 # Values here are from the Committee on Data for Science and Technology
 # (CODATA) 2018 recommendation (https://physics.nist.gov/cuu/Constants/).
 
diff --git a/openmc/deplete/chain.py b/openmc/deplete/chain.py
index e06cb5725..607168955 100644
--- a/openmc/deplete/chain.py
+++ b/openmc/deplete/chain.py
@@ -7,115 +7,109 @@ loaded from an .xml file and all the nuclides are linked together.
 from io import StringIO
 from itertools import chain
 import math
-import os
 import re
 from collections import defaultdict, namedtuple
 from collections.abc import Mapping, Iterable
 from numbers import Real, Integral
 from warnings import warn
 
-from openmc.checkvalue import check_type, check_greater_than
-from openmc.data import gnds_name, zam, DataLibrary
-from openmc.exceptions import DataError
-from .nuclide import FissionYieldDistribution
-
 import lxml.etree as ET
 import scipy.sparse as sp
 
+from openmc.checkvalue import check_type, check_greater_than
+from openmc.data import gnds_name, zam
+from .nuclide import FissionYieldDistribution, Nuclide
 import openmc.data
-from openmc._xml import clean_indentation
-from .nuclide import Nuclide, DecayTuple, ReactionTuple
 
 
-# tuple of (possible MT values, (dA, dZ), secondaries) where dA is the change in
-# the mass number and dZ is the change in the atomic number
-ReactionInfo = namedtuple('ReactionInfo', ('mts', 'dadz', 'secondaries'))
+# tuple of (possible MT values, secondaries)
+ReactionInfo = namedtuple('ReactionInfo', ('mts', 'secondaries'))
 
 REACTIONS = {
-    '(n,2nd)': ReactionInfo({11}, (-3, -1), ('H2',)),
-    '(n,2n)': ReactionInfo(set(chain([16], range(875, 892))), (-1, 0), ()),
-    '(n,3n)': ReactionInfo({17}, (-2, 0), ()),
-    '(n,na)': ReactionInfo({22}, (-4, -2), ('He4',)),
-    '(n,n3a)': ReactionInfo({23}, (-12, -6), ('He4', 'He4', 'He4')),
-    '(n,2na)': ReactionInfo({24}, (-5, -2), ('He4',)),
-    '(n,3na)': ReactionInfo({25}, (-6, -2), ('He4',)),
-    '(n,np)': ReactionInfo({28}, (-1, -1), ('H1',)),
-    '(n,n2a)': ReactionInfo({29}, (-8, -4), ('He4', 'He4')),
-    '(n,2n2a)': ReactionInfo({30}, (-9, -4), ('He4', 'He4')),
-    '(n,nd)': ReactionInfo({32}, (-2, -1), ('H2',)),
-    '(n,nt)': ReactionInfo({33}, (-3, -1), ('H3',)),
-    '(n,n3He)': ReactionInfo({34}, (-3, -2), ('He3',)),
-    '(n,nd2a)': ReactionInfo({35}, (-10, -5), ('H2', 'He4', 'He4')),
-    '(n,nt2a)': ReactionInfo({36}, (-11, -5), ('H3', 'He4', 'He4')),
-    '(n,4n)': ReactionInfo({37}, (-3, 0), ()),
-    '(n,2np)': ReactionInfo({41}, (-2, -1), ('H1',)),
-    '(n,3np)': ReactionInfo({42}, (-3, -1), ('H1',)),
-    '(n,n2p)': ReactionInfo({44}, (-2, -2), ('H1', 'H1')),
-    '(n,npa)': ReactionInfo({45}, (-5, -3), ('H1', 'He4')),
-    '(n,gamma)': ReactionInfo({102}, (1, 0), ()),
-    '(n,p)': ReactionInfo(set(chain([103], range(600, 650))), (0, -1), ('H1',)),
-    '(n,d)': ReactionInfo(set(chain([104], range(650, 700))), (-1, -1), ('H2',)),
-    '(n,t)': ReactionInfo(set(chain([105], range(700, 750))), (-2, -1), ('H3',)),
-    '(n,3He)': ReactionInfo(set(chain([106], range(750, 800))), (-2, -2), ('He3',)),
-    '(n,a)': ReactionInfo(set(chain([107], range(800, 850))), (-3, -2), ('He4',)),
-    '(n,2a)': ReactionInfo({108}, (-7, -4), ('He4', 'He4')),
-    '(n,3a)': ReactionInfo({109}, (-11, -6), ('He4', 'He4', 'He4')),
-    '(n,2p)': ReactionInfo({111}, (-1, -2), ('H1', 'H1')),
-    '(n,pa)': ReactionInfo({112}, (-4, -3), ('H1', 'He4')),
-    '(n,t2a)': ReactionInfo({113}, (-10, -5), ('H3', 'He4', 'He4')),
-    '(n,d2a)': ReactionInfo({114}, (-9, -5), ('H2', 'He4', 'He4')),
-    '(n,pd)': ReactionInfo({115}, (-2, -2), ('H1', 'H2')),
-    '(n,pt)': ReactionInfo({116}, (-3, -2), ('H1', 'H3')),
-    '(n,da)': ReactionInfo({117}, (-5, -3), ('H2', 'He4')),
-    '(n,5n)': ReactionInfo({152}, (-4, 0), ()),
-    '(n,6n)': ReactionInfo({153}, (-5, 0), ()),
-    '(n,2nt)': ReactionInfo({154}, (-4, -1), ('H3',)),
-    '(n,ta)': ReactionInfo({155}, (-6, -3), ('H3', 'He4')),
-    '(n,4np)': ReactionInfo({156}, (-4, -1), ('H1',)),
-    '(n,3nd)': ReactionInfo({157}, (-4, -1), ('H2',)),
-    '(n,nda)': ReactionInfo({158}, (-6, -3), ('H2', 'He4')),
-    '(n,2npa)': ReactionInfo({159}, (-6, -3), ('H1', 'He4')),
-    '(n,7n)': ReactionInfo({160}, (-6, 0), ()),
-    '(n,8n)': ReactionInfo({161}, (-7, 0), ()),
-    '(n,5np)': ReactionInfo({162}, (-5, -1), ('H1',)),
-    '(n,6np)': ReactionInfo({163}, (-6, -1), ('H1',)),
-    '(n,7np)': ReactionInfo({164}, (-7, -1), ('H1',)),
-    '(n,4na)': ReactionInfo({165}, (-7, -2), ('He4',)),
-    '(n,5na)': ReactionInfo({166}, (-8, -2), ('He4',)),
-    '(n,6na)': ReactionInfo({167}, (-9, -2), ('He4',)),
-    '(n,7na)': ReactionInfo({168}, (-10, -2), ('He4',)),
-    '(n,4nd)': ReactionInfo({169}, (-5, -1), ('H2',)),
-    '(n,5nd)': ReactionInfo({170}, (-6, -1), ('H2',)),
-    '(n,6nd)': ReactionInfo({171}, (-7, -1), ('H2',)),
-    '(n,3nt)': ReactionInfo({172}, (-5, -1), ('H3',)),
-    '(n,4nt)': ReactionInfo({173}, (-6, -1), ('H3',)),
-    '(n,5nt)': ReactionInfo({174}, (-7, -1), ('H3',)),
-    '(n,6nt)': ReactionInfo({175}, (-8, -1), ('H3',)),
-    '(n,2n3He)': ReactionInfo({176}, (-4, -2), ('He3',)),
-    '(n,3n3He)': ReactionInfo({177}, (-5, -2), ('He3',)),
-    '(n,4n3He)': ReactionInfo({178}, (-6, -2), ('He3',)),
-    '(n,3n2p)': ReactionInfo({179}, (-4, -2), ('H1', 'H1')),
-    '(n,3n2a)': ReactionInfo({180}, (-10, -4), ('He4', 'He4')),
-    '(n,3npa)': ReactionInfo({181}, (-7, -3), ('H1', 'He4')),
-    '(n,dt)': ReactionInfo({182}, (-4, -2), ('H2', 'H3')),
-    '(n,npd)': ReactionInfo({183}, (-3, -2), ('H1', 'H2')),
-    '(n,npt)': ReactionInfo({184}, (-4, -2), ('H1', 'H3')),
-    '(n,ndt)': ReactionInfo({185}, (-5, -2), ('H2', 'H3')),
-    '(n,np3He)': ReactionInfo({186}, (-4, -3), ('H1', 'He3')),
-    '(n,nd3He)': ReactionInfo({187}, (-5, -3), ('H2', 'He3')),
-    '(n,nt3He)': ReactionInfo({188}, (-6, -3), ('H3', 'He3')),
-    '(n,nta)': ReactionInfo({189}, (-7, -3), ('H3', 'He4')),
-    '(n,2n2p)': ReactionInfo({190}, (-3, -2), ('H1', 'H1')),
-    '(n,p3He)': ReactionInfo({191}, (-4, -3), ('H1', 'He3')),
-    '(n,d3He)': ReactionInfo({192}, (-5, -3), ('H2', 'He3')),
-    '(n,3Hea)': ReactionInfo({193}, (-6, -4), ('He3', 'He4')),
-    '(n,4n2p)': ReactionInfo({194}, (-5, -2), ('H1', 'H1')),
-    '(n,4n2a)': ReactionInfo({195}, (-11, -4), ('He4', 'He4')),
-    '(n,4npa)': ReactionInfo({196}, (-8, -3), ('H1', 'He4')),
-    '(n,3p)': ReactionInfo({197}, (-2, -3), ('H1', 'H1', 'H1')),
-    '(n,n3p)': ReactionInfo({198}, (-3, -3), ('H1', 'H1', 'H1')),
-    '(n,3n2pa)': ReactionInfo({199}, (-8, -4), ('H1', 'H1', 'He4')),
-    '(n,5n2p)': ReactionInfo({200}, (-6, -2), ('H1', 'H1')),
+    '(n,2nd)': ReactionInfo({11}, ('H2',)),
+    '(n,2n)': ReactionInfo(set(chain([16], range(875, 892))), ()),
+    '(n,3n)': ReactionInfo({17}, ()),
+    '(n,na)': ReactionInfo({22}, ('He4',)),
+    '(n,n3a)': ReactionInfo({23}, ('He4', 'He4', 'He4')),
+    '(n,2na)': ReactionInfo({24}, ('He4',)),
+    '(n,3na)': ReactionInfo({25}, ('He4',)),
+    '(n,np)': ReactionInfo({28}, ('H1',)),
+    '(n,n2a)': ReactionInfo({29}, ('He4', 'He4')),
+    '(n,2n2a)': ReactionInfo({30}, ('He4', 'He4')),
+    '(n,nd)': ReactionInfo({32}, ('H2',)),
+    '(n,nt)': ReactionInfo({33}, ('H3',)),
+    '(n,n3He)': ReactionInfo({34}, ('He3',)),
+    '(n,nd2a)': ReactionInfo({35}, ('H2', 'He4', 'He4')),
+    '(n,nt2a)': ReactionInfo({36}, ('H3', 'He4', 'He4')),
+    '(n,4n)': ReactionInfo({37}, ()),
+    '(n,2np)': ReactionInfo({41}, ('H1',)),
+    '(n,3np)': ReactionInfo({42}, ('H1',)),
+    '(n,n2p)': ReactionInfo({44}, ('H1', 'H1')),
+    '(n,npa)': ReactionInfo({45}, ('H1', 'He4')),
+    '(n,gamma)': ReactionInfo({102}, ()),
+    '(n,p)': ReactionInfo(set(chain([103], range(600, 650))), ('H1',)),
+    '(n,d)': ReactionInfo(set(chain([104], range(650, 700))), ('H2',)),
+    '(n,t)': ReactionInfo(set(chain([105], range(700, 750))), ('H3',)),
+    '(n,3He)': ReactionInfo(set(chain([106], range(750, 800))), ('He3',)),
+    '(n,a)': ReactionInfo(set(chain([107], range(800, 850))), ('He4',)),
+    '(n,2a)': ReactionInfo({108}, ('He4', 'He4')),
+    '(n,3a)': ReactionInfo({109}, ('He4', 'He4', 'He4')),
+    '(n,2p)': ReactionInfo({111}, ('H1', 'H1')),
+    '(n,pa)': ReactionInfo({112}, ('H1', 'He4')),
+    '(n,t2a)': ReactionInfo({113}, ('H3', 'He4', 'He4')),
+    '(n,d2a)': ReactionInfo({114}, ('H2', 'He4', 'He4')),
+    '(n,pd)': ReactionInfo({115}, ('H1', 'H2')),
+    '(n,pt)': ReactionInfo({116}, ('H1', 'H3')),
+    '(n,da)': ReactionInfo({117}, ('H2', 'He4')),
+    '(n,5n)': ReactionInfo({152}, ()),
+    '(n,6n)': ReactionInfo({153}, ()),
+    '(n,2nt)': ReactionInfo({154}, ('H3',)),
+    '(n,ta)': ReactionInfo({155}, ('H3', 'He4')),
+    '(n,4np)': ReactionInfo({156}, ('H1',)),
+    '(n,3nd)': ReactionInfo({157}, ('H2',)),
+    '(n,nda)': ReactionInfo({158}, ('H2', 'He4')),
+    '(n,2npa)': ReactionInfo({159}, ('H1', 'He4')),
+    '(n,7n)': ReactionInfo({160}, ()),
+    '(n,8n)': ReactionInfo({161}, ()),
+    '(n,5np)': ReactionInfo({162}, ('H1',)),
+    '(n,6np)': ReactionInfo({163}, ('H1',)),
+    '(n,7np)': ReactionInfo({164}, ('H1',)),
+    '(n,4na)': ReactionInfo({165}, ('He4',)),
+    '(n,5na)': ReactionInfo({166}, ('He4',)),
+    '(n,6na)': ReactionInfo({167}, ('He4',)),
+    '(n,7na)': ReactionInfo({168}, ('He4',)),
+    '(n,4nd)': ReactionInfo({169}, ('H2',)),
+    '(n,5nd)': ReactionInfo({170}, ('H2',)),
+    '(n,6nd)': ReactionInfo({171}, ('H2',)),
+    '(n,3nt)': ReactionInfo({172}, ('H3',)),
+    '(n,4nt)': ReactionInfo({173}, ('H3',)),
+    '(n,5nt)': ReactionInfo({174}, ('H3',)),
+    '(n,6nt)': ReactionInfo({175}, ('H3',)),
+    '(n,2n3He)': ReactionInfo({176}, ('He3',)),
+    '(n,3n3He)': ReactionInfo({177}, ('He3',)),
+    '(n,4n3He)': ReactionInfo({178}, ('He3',)),
+    '(n,3n2p)': ReactionInfo({179}, ('H1', 'H1')),
+    '(n,3n2a)': ReactionInfo({180}, ('He4', 'He4')),
+    '(n,3npa)': ReactionInfo({181}, ('H1', 'He4')),
+    '(n,dt)': ReactionInfo({182}, ('H2', 'H3')),
+    '(n,npd)': ReactionInfo({183}, ('H1', 'H2')),
+    '(n,npt)': ReactionInfo({184}, ('H1', 'H3')),
+    '(n,ndt)': ReactionInfo({185}, ('H2', 'H3')),
+    '(n,np3He)': ReactionInfo({186}, ('H1', 'He3')),
+    '(n,nd3He)': ReactionInfo({187}, ('H2', 'He3')),
+    '(n,nt3He)': ReactionInfo({188}, ('H3', 'He3')),
+    '(n,nta)': ReactionInfo({189}, ('H3', 'He4')),
+    '(n,2n2p)': ReactionInfo({190}, ('H1', 'H1')),
+    '(n,p3He)': ReactionInfo({191}, ('H1', 'He3')),
+    '(n,d3He)': ReactionInfo({192}, ('H2', 'He3')),
+    '(n,3Hea)': ReactionInfo({193}, ('He3', 'He4')),
+    '(n,4n2p)': ReactionInfo({194}, ('H1', 'H1')),
+    '(n,4n2a)': ReactionInfo({195}, ('He4', 'He4')),
+    '(n,4npa)': ReactionInfo({196}, ('H1', 'He4')),
+    '(n,3p)': ReactionInfo({197}, ('H1', 'H1', 'H1')),
+    '(n,n3p)': ReactionInfo({198}, ('H1', 'H1', 'H1')),
+    '(n,3n2pa)': ReactionInfo({199}, ('H1', 'H1', 'He4')),
+    '(n,5n2p)': ReactionInfo({200}, ('H1', 'H1')),
 }
 
 __all__ = ["Chain", "REACTIONS"]
@@ -418,9 +412,9 @@ class Chain:
             if parent in reactions:
                 reactions_available = set(reactions[parent].keys())
                 for name in transmutation_reactions:
-                    mts, changes, _ = REACTIONS[name]
+                    mts = REACTIONS[name].mts
+                    delta_A, delta_Z = openmc.data.DADZ[name]
                     if mts & reactions_available:
-                        delta_A, delta_Z = changes
                         A = data.nuclide['mass_number'] + delta_A
                         Z = data.nuclide['atomic_number'] + delta_Z
                         daughter = '{}{}'.format(openmc.data.ATOMIC_SYMBOL[Z], A)
diff --git a/openmc/plotter.py b/openmc/plotter.py
index 193ba9cbe..899c46c5c 100644
--- a/openmc/plotter.py
+++ b/openmc/plotter.py
@@ -58,6 +58,11 @@ ELEMENT_NAMES = list(openmc.data.ELEMENT_SYMBOL.values())[1:]
 def _get_legend_label(this, type):
     """Gets a label for the element or nuclide or material and reaction plotted"""
     if isinstance(this, str):
+        if type in openmc.data.DADZ:
+            z, a, m = openmc.data.zam(this)
+            da, dz = openmc.data.DADZ[type]
+            gnds_name = openmc.data.gnds_name(z + dz, a + da, m)
+            return f'{this} {type} {gnds_name}'
         return f'{this} {type}'
     elif this.name == '':
         return f'Material {this.id} {type}'

From b3a2456f2b2033f8eeee6f84ce69e757022918e3 Mon Sep 17 00:00:00 2001
From: rlbarker <rosiebarker1@hotmail.com>
Date: Mon, 26 Feb 2024 22:15:50 +0000
Subject: [PATCH 2034/2654] Added checks that tolerance value is between 0 and
 1 (#2884)

---
 openmc/stats/univariate.py     | 3 +++
 tests/unit_tests/test_stats.py | 6 ++++++
 2 files changed, 9 insertions(+)

diff --git a/openmc/stats/univariate.py b/openmc/stats/univariate.py
index b33f88af8..e7ff64257 100644
--- a/openmc/stats/univariate.py
+++ b/openmc/stats/univariate.py
@@ -280,6 +280,9 @@ class Discrete(Univariate):
         Discrete distribution with low-importance points removed
 
         """
+        cv.check_less_than("tolerance", tolerance, 1.0, equality=True)
+        cv.check_greater_than("tolerance", tolerance, 0.0, equality=True)
+
         # Determine (reversed) sorted order of probabilities
         intensity = self.p * self.x
         index_sort = np.argsort(intensity)[::-1]
diff --git a/tests/unit_tests/test_stats.py b/tests/unit_tests/test_stats.py
index 8438535ff..f5368e912 100644
--- a/tests/unit_tests/test_stats.py
+++ b/tests/unit_tests/test_stats.py
@@ -89,6 +89,12 @@ def test_clip_discrete():
     d_same = d.clip(1e-6, inplace=True)
     assert d_same is d
 
+    with pytest.raises(ValueError):
+        d.clip(-1.)
+    
+    with pytest.raises(ValueError):
+        d.clip(5)
+
 
 def test_uniform():
     a, b = 10.0, 20.0

From a8f7a61acb498951ee22abacfc335895519959c5 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Wed, 28 Feb 2024 22:13:45 +0000
Subject: [PATCH 2035/2654] removed unused step_index arg from restart (#2867)

---
 openmc/deplete/abc.py | 6 +++---
 1 file changed, 3 insertions(+), 3 deletions(-)

diff --git a/openmc/deplete/abc.py b/openmc/deplete/abc.py
index 1dea8440c..a574d4855 100644
--- a/openmc/deplete/abc.py
+++ b/openmc/deplete/abc.py
@@ -769,7 +769,7 @@ class Integrator(ABC):
         self.operator.write_bos_data(step_index + self._i_res)
         return x, res
 
-    def _get_bos_data_from_restart(self, step_index, source_rate, bos_conc):
+    def _get_bos_data_from_restart(self, source_rate, bos_conc):
         """Get beginning of step concentrations, reaction rates from restart"""
         res = self.operator.prev_res[-1]
         # Depletion methods expect list of arrays
@@ -823,7 +823,7 @@ class Integrator(ABC):
                 if i > 0 or self.operator.prev_res is None:
                     n, res = self._get_bos_data_from_operator(i, source_rate, n)
                 else:
-                    n, res = self._get_bos_data_from_restart(i, source_rate, n)
+                    n, res = self._get_bos_data_from_restart(source_rate, n)
 
                 # Solve Bateman equations over time interval
                 proc_time, n_list, res_list = self(n, res.rates, dt, source_rate, i)
@@ -1030,7 +1030,7 @@ class SIIntegrator(Integrator):
                     if self.operator.prev_res is None:
                         n, res = self._get_bos_data_from_operator(i, p, n)
                     else:
-                        n, res = self._get_bos_data_from_restart(i, p, n)
+                        n, res = self._get_bos_data_from_restart(p, n)
                 else:
                     # Pull rates, k from previous iteration w/o
                     # re-running transport

From 02c0a092814cec0ae721c1444e9fee09a60c497f Mon Sep 17 00:00:00 2001
From: Gavin Ridley <gavin.keith.ridley@gmail.com>
Date: Wed, 28 Feb 2024 18:11:52 -0600
Subject: [PATCH 2036/2654] fix expansion filter merging (#2882)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/filter_expansion.py | 28 ++++++++++++++++++++++++++++
 1 file changed, 28 insertions(+)

diff --git a/openmc/filter_expansion.py b/openmc/filter_expansion.py
index b9860846f..f8e677578 100644
--- a/openmc/filter_expansion.py
+++ b/openmc/filter_expansion.py
@@ -53,6 +53,34 @@ class ExpansionFilter(Filter):
         order = int(elem.find('order').text)
         return cls(order, filter_id=filter_id)
 
+    def merge(self, other):
+        """Merge this filter with another.
+
+        This overrides the behavior of the parent Filter class, since its
+        merging technique is to take the union of the set of bins of each
+        filter. That technique does not apply to expansion filters, since the
+        argument should be the maximum filter order rather than the list of all
+        bins.
+
+        Parameters
+        ----------
+        other : openmc.Filter
+            Filter to merge with
+
+        Returns
+        -------
+        merged_filter : openmc.Filter
+            Filter resulting from the merge
+
+        """
+
+        if not self.can_merge(other):
+            msg = f'Unable to merge "{type(self)}" with "{type(other)}"'
+            raise ValueError(msg)
+
+        # Create a new filter with these bins and a new auto-generated ID
+        return type(self)(max(self.order, other.order))
+
 
 class LegendreFilter(ExpansionFilter):
     r"""Score Legendre expansion moments up to specified order.

From b75ccd598e8442c97eed315b965736a31b6a67c8 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Thu, 29 Feb 2024 01:31:54 +0000
Subject: [PATCH 2037/2654] Adding energy axis units to plot xs (#2876)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/plotter.py                | 18 +++++++++++++++---
 tests/unit_tests/test_plotter.py | 11 ++++++++++-
 2 files changed, 25 insertions(+), 4 deletions(-)

diff --git a/openmc/plotter.py b/openmc/plotter.py
index 899c46c5c..849672fce 100644
--- a/openmc/plotter.py
+++ b/openmc/plotter.py
@@ -105,7 +105,7 @@ def _get_title(reactions):
 def plot_xs(reactions, divisor_types=None, temperature=294., axis=None,
             sab_name=None, ce_cross_sections=None, mg_cross_sections=None,
             enrichment=None, plot_CE=True, orders=None, divisor_orders=None,
-            **kwargs):
+            energy_axis_units="eV", **kwargs):
     """Creates a figure of continuous-energy cross sections for this item.
 
     Parameters
@@ -148,6 +148,10 @@ def plot_xs(reactions, divisor_types=None, temperature=294., axis=None,
     **kwargs :
         All keyword arguments are passed to
         :func:`matplotlib.pyplot.figure`.
+    energy_axis_units : {'eV', 'keV', 'MeV'}
+        Units used on the plot energy axis
+
+        .. versionadded:: 0.14.1
 
     Returns
     -------
@@ -161,6 +165,9 @@ def plot_xs(reactions, divisor_types=None, temperature=294., axis=None,
     import matplotlib.pyplot as plt
 
     cv.check_type("plot_CE", plot_CE, bool)
+    cv.check_value("energy_axis_units", energy_axis_units, {"eV", "keV", "MeV"})
+
+    axis_scaling_factor = {"eV": 1.0, "keV": 1e-3, "MeV": 1e-6}
 
     # Generate the plot
     if axis is None:
@@ -217,6 +224,8 @@ def plot_xs(reactions, divisor_types=None, temperature=294., axis=None,
                     if divisor_types[line] != 'unity':
                         types[line] += ' / ' + divisor_types[line]
 
+        E *= axis_scaling_factor[energy_axis_units]
+
         # Plot the data
         for i in range(len(data)):
             data[i, :] = np.nan_to_num(data[i, :])
@@ -232,9 +241,12 @@ def plot_xs(reactions, divisor_types=None, temperature=294., axis=None,
         ax.set_xscale('log')
         ax.set_yscale('log')
 
-    ax.set_xlabel('Energy [eV]')
+    ax.set_xlabel(f"Energy [{energy_axis_units}]")
     if plot_CE:
-        ax.set_xlim(_MIN_E, _MAX_E)
+        ax.set_xlim(
+            _MIN_E * axis_scaling_factor[energy_axis_units],
+            _MAX_E * axis_scaling_factor[energy_axis_units],
+        )
     else:
         ax.set_xlim(E[-1], E[0])
 
diff --git a/tests/unit_tests/test_plotter.py b/tests/unit_tests/test_plotter.py
index 8a1147b4a..fd635d89d 100644
--- a/tests/unit_tests/test_plotter.py
+++ b/tests/unit_tests/test_plotter.py
@@ -77,10 +77,19 @@ def test_plot_xs(this):
     from matplotlib.figure import Figure
     assert isinstance(openmc.plot_xs({this: ['total', 'elastic']}), Figure)
 
+
 def test_plot_xs_mat(test_mat):
     from matplotlib.figure import Figure
     assert isinstance(openmc.plot_xs({test_mat: ['total']}), Figure)
 
+
+@pytest.mark.parametrize("units", ["eV", "keV", "MeV"])
+def test_plot_xs_energy_axis(units):
+    plot = openmc.plot_xs({'Be9': ['(n,2n)']}, energy_axis_units=units)
+    axis_text = plot.get_axes()[0].get_xaxis().get_label().get_text()
+    assert axis_text == f'Energy [{units}]'
+
+
 def test_plot_axes_labels():
     # just nuclides
     axis_label = openmc.plotter._get_yaxis_label(
@@ -156,4 +165,4 @@ def test_get_title():
     mat1.set_density('g/cm3', 1)
     mat1.name = 'my_mat'
     title = openmc.plotter._get_title(reactions={mat1: [205]})
-    assert title == 'Cross Section Plot For my_mat'
\ No newline at end of file
+    assert title == 'Cross Section Plot For my_mat'

From aa0516f06bb9ab1bc2faaf343deefa94f9c5c8c2 Mon Sep 17 00:00:00 2001
From: Gavin Ridley <gavin.keith.ridley@gmail.com>
Date: Tue, 5 Mar 2024 23:55:45 -0500
Subject: [PATCH 2038/2654] abort on cmake config if openmp requested but not
 found (#2893)

---
 CMakeLists.txt | 10 ++++------
 1 file changed, 4 insertions(+), 6 deletions(-)

diff --git a/CMakeLists.txt b/CMakeLists.txt
index ec6ea6179..1280daf2b 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -193,12 +193,10 @@ endif()
 if(NOT MSVC)
 
 if(OPENMC_USE_OPENMP)
-  find_package(OpenMP)
-  if(OPENMP_FOUND)
-    # In CMake 3.9+, can use the OpenMP::OpenMP_CXX imported target
-    list(APPEND cxxflags ${OpenMP_CXX_FLAGS})
-    list(APPEND ldflags ${OpenMP_CXX_FLAGS})
-  endif()
+  find_package(OpenMP REQUIRED)
+  # In CMake 3.9+, can use the OpenMP::OpenMP_CXX imported target
+  list(APPEND cxxflags ${OpenMP_CXX_FLAGS})
+  list(APPEND ldflags ${OpenMP_CXX_FLAGS})
 endif()
 
 set(CMAKE_POSITION_INDEPENDENT_CODE ON)

From 7ed12788df9cc9c1e6582ab4f634a91fde88be89 Mon Sep 17 00:00:00 2001
From: Micah Gale <mgale@fastmail.com>
Date: Sat, 9 Mar 2024 12:49:28 -0600
Subject: [PATCH 2039/2654] Clarifying documentation for Cones (#2892)

---
 openmc/model/surface_composite.py | 24 +++++++++++++--------
 openmc/surface.py                 | 35 ++++++++++++++++++++++++++-----
 2 files changed, 45 insertions(+), 14 deletions(-)

diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index e4b7020d8..8f48b2f71 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -617,7 +617,7 @@ class RectangularParallelepiped(CompositeSurface):
 class XConeOneSided(CompositeSurface):
     """One-sided cone parallel the x-axis
 
-    A one-sided cone is composed of a normal cone surface and an "ambiguity"
+    A one-sided cone is composed of a normal cone surface and a "disambiguation"
     surface that eliminates the ambiguity as to which region of space is
     included. This class acts as a proper surface, meaning that unary `+` and
     `-` operators applied to it will produce a half-space. The negative side is
@@ -634,7 +634,9 @@ class XConeOneSided(CompositeSurface):
     z0 : float, optional
         z-coordinate of the apex. Defaults to 0.
     r2 : float, optional
-        Parameter related to the aperature. Defaults to 1.
+        Parameter related to the aperture [:math:`\\rm cm^2`].
+        It can be interpreted as the increase in the radius squared per cm along 
+        the cone's axis of revolution.
     up : bool
         Whether to select the side of the cone that extends to infinity in the
         positive direction of the coordinate axis (the positive half-space of
@@ -647,7 +649,7 @@ class XConeOneSided(CompositeSurface):
     cone : openmc.XCone
         Regular two-sided cone
     plane : openmc.XPlane
-        Ambiguity surface
+        Disambiguation surface
     up : bool
         Whether to select the side of the cone that extends to infinity in the
         positive direction of the coordinate axis (the positive half-space of
@@ -675,7 +677,7 @@ class XConeOneSided(CompositeSurface):
 class YConeOneSided(CompositeSurface):
     """One-sided cone parallel the y-axis
 
-    A one-sided cone is composed of a normal cone surface and an "ambiguity"
+    A one-sided cone is composed of a normal cone surface and a "disambiguation"
     surface that eliminates the ambiguity as to which region of space is
     included. This class acts as a proper surface, meaning that unary `+` and
     `-` operators applied to it will produce a half-space. The negative side is
@@ -692,7 +694,9 @@ class YConeOneSided(CompositeSurface):
     z0 : float, optional
         z-coordinate of the apex. Defaults to 0.
     r2 : float, optional
-        Parameter related to the aperature. Defaults to 1.
+        Parameter related to the aperture [:math:`\\rm cm^2`].
+        It can be interpreted as the increase in the radius squared per cm along 
+        the cone's axis of revolution.
     up : bool
         Whether to select the side of the cone that extends to infinity in the
         positive direction of the coordinate axis (the positive half-space of
@@ -705,7 +709,7 @@ class YConeOneSided(CompositeSurface):
     cone : openmc.YCone
         Regular two-sided cone
     plane : openmc.YPlane
-        Ambiguity surface
+        Disambiguation surface
     up : bool
         Whether to select the side of the cone that extends to infinity in the
         positive direction of the coordinate axis (the positive half-space of
@@ -727,7 +731,7 @@ class YConeOneSided(CompositeSurface):
 class ZConeOneSided(CompositeSurface):
     """One-sided cone parallel the z-axis
 
-    A one-sided cone is composed of a normal cone surface and an "ambiguity"
+    A one-sided cone is composed of a normal cone surface and a "disambiguation"
     surface that eliminates the ambiguity as to which region of space is
     included. This class acts as a proper surface, meaning that unary `+` and
     `-` operators applied to it will produce a half-space. The negative side is
@@ -744,7 +748,9 @@ class ZConeOneSided(CompositeSurface):
     z0 : float, optional
         z-coordinate of the apex. Defaults to 0.
     r2 : float, optional
-        Parameter related to the aperature. Defaults to 1.
+        Parameter related to the aperture [:math:`\\rm cm^2`].
+        It can be interpreted as the increase in the radius squared per cm along 
+        the cone's axis of revolution.
     up : bool
         Whether to select the side of the cone that extends to infinity in the
         positive direction of the coordinate axis (the positive half-space of
@@ -757,7 +763,7 @@ class ZConeOneSided(CompositeSurface):
     cone : openmc.ZCone
         Regular two-sided cone
     plane : openmc.ZPlane
-        Ambiguity surface
+        Disambiguation surface
     up : bool
         Whether to select the side of the cone that extends to infinity in the
         positive direction of the coordinate axis (the positive half-space of
diff --git a/openmc/surface.py b/openmc/surface.py
index a16b6712d..bc10f7e8a 100644
--- a/openmc/surface.py
+++ b/openmc/surface.py
@@ -1748,6 +1748,11 @@ class Sphere(QuadricMixin, Surface):
 class Cone(QuadricMixin, Surface):
     """A conical surface parallel to the x-, y-, or z-axis.
 
+    .. Note::
+        This creates a double cone, which is two one-sided cones that meet at their apex.
+        For a one-sided cone see :class:`~openmc.model.XConeOneSided`,
+        :class:`~openmc.model.YConeOneSided`, and :class:`~openmc.model.ZConeOneSided`.
+
     Parameters
     ----------
     x0 : float, optional
@@ -1757,7 +1762,9 @@ class Cone(QuadricMixin, Surface):
     z0 : float, optional
         z-coordinate of the apex in [cm]. Defaults to 0.
     r2 : float, optional
-        Parameter related to the aperature. Defaults to 1.
+        Parameter related to the aperture [:math:`\\rm cm^2`].
+        It can be interpreted as the increase in the radius squared per cm along 
+        the cone's axis of revolution.
     dx : float, optional
         x-component of the vector representing the axis of the cone.
         Defaults to 0.
@@ -1791,7 +1798,7 @@ class Cone(QuadricMixin, Surface):
     z0 : float
         z-coordinate of the apex in [cm]
     r2 : float
-        Parameter related to the aperature
+        Parameter related to the aperature [cm^2]
     dx : float
         x-component of the vector representing the axis of the cone.
     dy : float
@@ -1900,6 +1907,10 @@ class XCone(QuadricMixin, Surface):
     """A cone parallel to the x-axis of the form :math:`(y - y_0)^2 + (z - z_0)^2 =
     r^2 (x - x_0)^2`.
 
+    .. Note::
+        This creates a double cone, which is two one-sided cones that meet at their apex.
+        For a one-sided cone see :class:`~openmc.model.XConeOneSided`.
+
     Parameters
     ----------
     x0 : float, optional
@@ -1909,7 +1920,9 @@ class XCone(QuadricMixin, Surface):
     z0 : float, optional
         z-coordinate of the apex in [cm]. Defaults to 0.
     r2 : float, optional
-        Parameter related to the aperature. Defaults to 1.
+        Parameter related to the aperture [:math:`\\rm cm^2`].
+        It can be interpreted as the increase in the radius squared per cm along 
+        the cone's axis of revolution.
     boundary_type : {'transmission, 'vacuum', 'reflective', 'white'}, optional
         Boundary condition that defines the behavior for particles hitting the
         surface. Defaults to transmissive boundary condition where particles
@@ -1995,6 +2008,10 @@ class YCone(QuadricMixin, Surface):
     """A cone parallel to the y-axis of the form :math:`(x - x_0)^2 + (z - z_0)^2 =
     r^2 (y - y_0)^2`.
 
+    .. Note::
+        This creates a double cone, which is two one-sided cones that meet at their apex.
+        For a one-sided cone see :class:`~openmc.model.YConeOneSided`.
+
     Parameters
     ----------
     x0 : float, optional
@@ -2004,7 +2021,9 @@ class YCone(QuadricMixin, Surface):
     z0 : float, optional
         z-coordinate of the apex in [cm]. Defaults to 0.
     r2 : float, optional
-        Parameter related to the aperature. Defaults to 1.
+        Parameter related to the aperture [:math:`\\rm cm^2`].
+        It can be interpreted as the increase in the radius squared per cm along 
+        the cone's axis of revolution.
     boundary_type : {'transmission, 'vacuum', 'reflective', 'white'}, optional
         Boundary condition that defines the behavior for particles hitting the
         surface. Defaults to transmissive boundary condition where particles
@@ -2090,6 +2109,10 @@ class ZCone(QuadricMixin, Surface):
     """A cone parallel to the z-axis of the form :math:`(x - x_0)^2 + (y - y_0)^2 =
     r^2 (z - z_0)^2`.
 
+    .. Note::
+        This creates a double cone, which is two one-sided cones that meet at their apex.
+        For a one-sided cone see :class:`~openmc.model.ZConeOneSided`.
+
     Parameters
     ----------
     x0 : float, optional
@@ -2099,7 +2122,9 @@ class ZCone(QuadricMixin, Surface):
     z0 : float, optional
         z-coordinate of the apex in [cm]. Defaults to 0.
     r2 : float, optional
-        Parameter related to the aperature. Defaults to 1.
+        Parameter related to the aperature [cm^2].
+        This is the square of the radius of the cone 1 cm from.
+        This can also be treated as the square of the slope of the cone relative to its axis.
     boundary_type : {'transmission, 'vacuum', 'reflective', 'white'}, optional
         Boundary condition that defines the behavior for particles hitting the
         surface. Defaults to transmissive boundary condition where particles

From c4a75f706256d575c798f9f4046d6d3b41490695 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Mon, 11 Mar 2024 22:35:32 -0500
Subject: [PATCH 2040/2654] Ensure that Model.run() works when specifying a
 custom XML path (#2889)

---
 openmc/model/model.py                    | 10 +++++++---
 tests/unit_tests/test_deplete_chain.py   |  5 +++--
 tests/unit_tests/test_deplete_nuclide.py |  5 +++--
 tests/unit_tests/test_model.py           |  6 ++++++
 4 files changed, 19 insertions(+), 7 deletions(-)

diff --git a/openmc/model/model.py b/openmc/model/model.py
index 5194fec1d..abef9bb7a 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -488,8 +488,11 @@ class Model:
         # if the provided path doesn't end with the XML extension, assume the
         # input path is meant to be a directory. If the directory does not
         # exist, create it and place a 'model.xml' file there.
-        if not str(xml_path).endswith('.xml') and not xml_path.exists():
-            os.mkdir(xml_path)
+        if not str(xml_path).endswith('.xml'):
+            if not xml_path.exists():
+                os.mkdir(xml_path)
+            elif not xml_path.is_dir():
+                raise FileExistsError(f"File exists and is not a directory: '{xml_path}'")
             xml_path /= 'model.xml'
         # if this is an XML file location and the file's parent directory does
         # not exist, create it before continuing
@@ -709,9 +712,10 @@ class Model:
                     self.export_to_model_xml(**export_kwargs)
                 else:
                     self.export_to_xml(**export_kwargs)
+                path_input = export_kwargs.get("path", None)
                 openmc.run(particles, threads, geometry_debug, restart_file,
                            tracks, output, Path('.'), openmc_exec, mpi_args,
-                           event_based)
+                           event_based, path_input)
 
             # Get output directory and return the last statepoint written
             if self.settings.output and 'path' in self.settings.output:
diff --git a/tests/unit_tests/test_deplete_chain.py b/tests/unit_tests/test_deplete_chain.py
index e4e023135..9753a53f7 100644
--- a/tests/unit_tests/test_deplete_chain.py
+++ b/tests/unit_tests/test_deplete_chain.py
@@ -5,6 +5,7 @@ from itertools import product
 from math import log
 import os
 from pathlib import Path
+import warnings
 
 import numpy as np
 from openmc.mpi import comm
@@ -438,9 +439,9 @@ def test_validate(simple_chain):
     simple_chain["C"].yield_data = {0.0253: {"A": 1.4, "B": 0.6}}
 
     assert simple_chain.validate(strict=True, tolerance=0.0)
-    with pytest.warns(None) as record:
+    with warnings.catch_warnings():
+        warnings.simplefilter("error")
         assert simple_chain.validate(strict=False, quiet=False, tolerance=0.0)
-    assert len(record) == 0
 
     # Mess up "earlier" nuclide's reactions
     decay_mode = simple_chain["A"].decay_modes.pop()
diff --git a/tests/unit_tests/test_deplete_nuclide.py b/tests/unit_tests/test_deplete_nuclide.py
index 6482d76a5..f2bb7d1b6 100644
--- a/tests/unit_tests/test_deplete_nuclide.py
+++ b/tests/unit_tests/test_deplete_nuclide.py
@@ -1,6 +1,7 @@
 """Tests for the openmc.deplete.Nuclide class."""
 
 import copy
+import warnings
 
 import lxml.etree as ET
 import numpy as np
@@ -277,9 +278,9 @@ def test_validate():
     }
 
     # nuclide is good and should have no warnings raise
-    with pytest.warns(None) as record:
+    with warnings.catch_warnings():
+        warnings.simplefilter("error")
         assert nuc.validate(strict=True, quiet=False, tolerance=0.0)
-    assert len(record) == 0
 
     # invalidate decay modes
     decay = nuc.decay_modes.pop()
diff --git a/tests/unit_tests/test_model.py b/tests/unit_tests/test_model.py
index 24f136c8c..16fa18d45 100644
--- a/tests/unit_tests/test_model.py
+++ b/tests/unit_tests/test_model.py
@@ -585,3 +585,9 @@ def test_single_xml_exec(run_in_tmpdir):
 
     with pytest.raises(RuntimeError, match='input_dir'):
         openmc.run(path_input='input_dir/pincell.xml')
+
+    # Make sure path can be specified with run
+    pincell_model.run(path='my_model.xml')
+
+    os.mkdir('subdir')
+    pincell_model.run(path='subdir')

From 0f07420af217e2f5c6c526edbbcb45a0a6ff9394 Mon Sep 17 00:00:00 2001
From: Yue JIN <40021217+kingyue737@users.noreply.github.com>
Date: Tue, 12 Mar 2024 20:31:34 +0800
Subject: [PATCH 2041/2654] docs: add missing max_splits in settings
 specification (#2910)

---
 docs/source/io_formats/settings.rst | 7 +++++++
 1 file changed, 7 insertions(+)

diff --git a/docs/source/io_formats/settings.rst b/docs/source/io_formats/settings.rst
index 9b855b250..da71e4e60 100644
--- a/docs/source/io_formats/settings.rst
+++ b/docs/source/io_formats/settings.rst
@@ -276,6 +276,13 @@ then, OpenMC will only use up to the :math:`P_1` data.
   .. note:: This element is not used in the continuous-energy
     :ref:`energy_mode`.
 
+---------------------------
+``<max_splits>`` Element
+---------------------------
+
+The ``<max_splits>`` element indicates the number of times a particle can split during a history. 
+
+  *Default*: 1000
 
 --------------------------------------
 ``<max_write_lost_particles>`` Element

From 539f58d3b127ef2f1119d759ea2229eedb2b5c19 Mon Sep 17 00:00:00 2001
From: Micah Gale <micah.gale@inl.gov>
Date: Wed, 13 Mar 2024 11:08:13 -0500
Subject: [PATCH 2042/2654] Changed CI to use latest actions to get away from
 the Node 16 deprecation. (#2912)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 .github/workflows/ci.yml                               |  8 ++++----
 .github/workflows/dockerhub-publish-dagmc-libmesh.yml  |  8 ++++----
 .github/workflows/dockerhub-publish-dagmc.yml          |  8 ++++----
 .github/workflows/dockerhub-publish-dev.yml            |  8 ++++----
 .../dockerhub-publish-develop-dagmc-libmesh.yml        |  8 ++++----
 .github/workflows/dockerhub-publish-develop-dagmc.yml  |  8 ++++----
 .../workflows/dockerhub-publish-develop-libmesh.yml    |  8 ++++----
 .github/workflows/dockerhub-publish-libmesh.yml        |  8 ++++----
 .../dockerhub-publish-release-dagmc-libmesh.yml        | 10 +++++-----
 .github/workflows/dockerhub-publish-release-dagmc.yml  | 10 +++++-----
 .../workflows/dockerhub-publish-release-libmesh.yml    | 10 +++++-----
 .github/workflows/dockerhub-publish-release.yml        | 10 +++++-----
 .github/workflows/dockerhub-publish.yml                |  8 ++++----
 .github/workflows/format-check.yml                     |  2 +-
 14 files changed, 57 insertions(+), 57 deletions(-)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index ab2121b9c..99d2155fa 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -93,10 +93,10 @@ jobs:
       RDMAV_FORK_SAFE: 1
 
     steps:
-      - uses: actions/checkout@v3
+      - uses: actions/checkout@v4
 
       - name: Set up Python ${{ matrix.python-version }}
-        uses: actions/setup-python@v4
+        uses: actions/setup-python@v5
         with:
           python-version: ${{ matrix.python-version }}
 
@@ -128,7 +128,7 @@ jobs:
           $GITHUB_WORKSPACE/tools/ci/gha-install.sh
 
       - name: cache-xs
-        uses: actions/cache@v3
+        uses: actions/cache@v4
         with:
           path: |
             ~/nndc_hdf5
@@ -156,7 +156,7 @@ jobs:
     runs-on: ubuntu-latest
     steps:
       - name: Coveralls Finished
-        uses: coverallsapp/github-action@master
+        uses: coverallsapp/github-action@v2
         with:
           github-token: ${{ secrets.github_token }}
           parallel-finished: true
diff --git a/.github/workflows/dockerhub-publish-dagmc-libmesh.yml b/.github/workflows/dockerhub-publish-dagmc-libmesh.yml
index 3f0b5ab9b..813596953 100644
--- a/.github/workflows/dockerhub-publish-dagmc-libmesh.yml
+++ b/.github/workflows/dockerhub-publish-dagmc-libmesh.yml
@@ -10,20 +10,20 @@ jobs:
     steps:
       -
         name: Set up QEMU
-        uses: docker/setup-qemu-action@v2
+        uses: docker/setup-qemu-action@v3
       -
         name: Set up Docker Buildx
-        uses: docker/setup-buildx-action@v2
+        uses: docker/setup-buildx-action@v3
       -
         name: Login to DockerHub
-        uses: docker/login-action@v2
+        uses: docker/login-action@v3
         with:
           username: ${{ secrets.DOCKERHUB_USERNAME }}
           password: ${{ secrets.DOCKERHUB_TOKEN }}
       -
         name: Build and push
         id: docker_build
-        uses: docker/build-push-action@v4
+        uses: docker/build-push-action@v5
         with:
           push: true
           tags: openmc/openmc:latest-dagmc-libmesh
diff --git a/.github/workflows/dockerhub-publish-dagmc.yml b/.github/workflows/dockerhub-publish-dagmc.yml
index b6ba2f075..6757f7727 100644
--- a/.github/workflows/dockerhub-publish-dagmc.yml
+++ b/.github/workflows/dockerhub-publish-dagmc.yml
@@ -10,20 +10,20 @@ jobs:
     steps:
       -
         name: Set up QEMU
-        uses: docker/setup-qemu-action@v2
+        uses: docker/setup-qemu-action@v3
       -
         name: Set up Docker Buildx
-        uses: docker/setup-buildx-action@v2
+        uses: docker/setup-buildx-action@v3
       -
         name: Login to DockerHub
-        uses: docker/login-action@v2 
+        uses: docker/login-action@v3 
         with:
           username: ${{ secrets.DOCKERHUB_USERNAME }}
           password: ${{ secrets.DOCKERHUB_TOKEN }}
       -
         name: Build and push
         id: docker_build
-        uses: docker/build-push-action@v4
+        uses: docker/build-push-action@v5
         with:
           push: true
           tags: openmc/openmc:latest-dagmc
diff --git a/.github/workflows/dockerhub-publish-dev.yml b/.github/workflows/dockerhub-publish-dev.yml
index d2603ead4..7a81363a7 100644
--- a/.github/workflows/dockerhub-publish-dev.yml
+++ b/.github/workflows/dockerhub-publish-dev.yml
@@ -10,20 +10,20 @@ jobs:
     steps:
       -
         name: Set up QEMU
-        uses: docker/setup-qemu-action@v2
+        uses: docker/setup-qemu-action@v3
       -
         name: Set up Docker Buildx
-        uses: docker/setup-buildx-action@v2
+        uses: docker/setup-buildx-action@v3
       -
         name: Login to DockerHub
-        uses: docker/login-action@v2 
+        uses: docker/login-action@v3 
         with:
           username: ${{ secrets.DOCKERHUB_USERNAME }}
           password: ${{ secrets.DOCKERHUB_TOKEN }}
       -
         name: Build and push
         id: docker_build
-        uses: docker/build-push-action@v4
+        uses: docker/build-push-action@v5
         with:
           push: true
           tags: openmc/openmc:develop
diff --git a/.github/workflows/dockerhub-publish-develop-dagmc-libmesh.yml b/.github/workflows/dockerhub-publish-develop-dagmc-libmesh.yml
index 354f0a020..a219f2a91 100644
--- a/.github/workflows/dockerhub-publish-develop-dagmc-libmesh.yml
+++ b/.github/workflows/dockerhub-publish-develop-dagmc-libmesh.yml
@@ -10,20 +10,20 @@ jobs:
     steps:
       -
         name: Set up QEMU
-        uses: docker/setup-qemu-action@v2
+        uses: docker/setup-qemu-action@v3
       -
         name: Set up Docker Buildx
-        uses: docker/setup-buildx-action@v2
+        uses: docker/setup-buildx-action@v3
       -
         name: Login to DockerHub
-        uses: docker/login-action@v2 
+        uses: docker/login-action@v3 
         with:
           username: ${{ secrets.DOCKERHUB_USERNAME }}
           password: ${{ secrets.DOCKERHUB_TOKEN }}
       -
         name: Build and push
         id: docker_build
-        uses: docker/build-push-action@v4
+        uses: docker/build-push-action@v5
         with:
           push: true
           tags: openmc/openmc:develop-dagmc-libmesh
diff --git a/.github/workflows/dockerhub-publish-develop-dagmc.yml b/.github/workflows/dockerhub-publish-develop-dagmc.yml
index 36ec7a337..a901b8d3f 100644
--- a/.github/workflows/dockerhub-publish-develop-dagmc.yml
+++ b/.github/workflows/dockerhub-publish-develop-dagmc.yml
@@ -10,20 +10,20 @@ jobs:
     steps:
       -
         name: Set up QEMU
-        uses: docker/setup-qemu-action@v2
+        uses: docker/setup-qemu-action@v3
       -
         name: Set up Docker Buildx
-        uses: docker/setup-buildx-action@v2
+        uses: docker/setup-buildx-action@v3
       -
         name: Login to DockerHub
-        uses: docker/login-action@v2 
+        uses: docker/login-action@v3 
         with:
           username: ${{ secrets.DOCKERHUB_USERNAME }}
           password: ${{ secrets.DOCKERHUB_TOKEN }}
       -
         name: Build and push
         id: docker_build
-        uses: docker/build-push-action@v4
+        uses: docker/build-push-action@v5
         with:
           push: true
           tags: openmc/openmc:develop-dagmc
diff --git a/.github/workflows/dockerhub-publish-develop-libmesh.yml b/.github/workflows/dockerhub-publish-develop-libmesh.yml
index a89417316..22e9aa68f 100644
--- a/.github/workflows/dockerhub-publish-develop-libmesh.yml
+++ b/.github/workflows/dockerhub-publish-develop-libmesh.yml
@@ -10,20 +10,20 @@ jobs:
     steps:
       -
         name: Set up QEMU
-        uses: docker/setup-qemu-action@v2
+        uses: docker/setup-qemu-action@v3
       -
         name: Set up Docker Buildx
-        uses: docker/setup-buildx-action@v2
+        uses: docker/setup-buildx-action@v3
       -
         name: Login to DockerHub
-        uses: docker/login-action@v2 
+        uses: docker/login-action@v3 
         with:
           username: ${{ secrets.DOCKERHUB_USERNAME }}
           password: ${{ secrets.DOCKERHUB_TOKEN }}
       -
         name: Build and push
         id: docker_build
-        uses: docker/build-push-action@v4
+        uses: docker/build-push-action@v5
         with:
           push: true
           tags: openmc/openmc:develop-libmesh
diff --git a/.github/workflows/dockerhub-publish-libmesh.yml b/.github/workflows/dockerhub-publish-libmesh.yml
index e592ccb8e..843ce0f6f 100644
--- a/.github/workflows/dockerhub-publish-libmesh.yml
+++ b/.github/workflows/dockerhub-publish-libmesh.yml
@@ -10,20 +10,20 @@ jobs:
     steps:
       -
         name: Set up QEMU
-        uses: docker/setup-qemu-action@v2
+        uses: docker/setup-qemu-action@v3
       -
         name: Set up Docker Buildx
-        uses: docker/setup-buildx-action@v2
+        uses: docker/setup-buildx-action@v3
       -
         name: Login to DockerHub
-        uses: docker/login-action@v2 
+        uses: docker/login-action@v3 
         with:
           username: ${{ secrets.DOCKERHUB_USERNAME }}
           password: ${{ secrets.DOCKERHUB_TOKEN }}
       -
         name: Build and push
         id: docker_build
-        uses: docker/build-push-action@v4
+        uses: docker/build-push-action@v5
         with:
           push: true
           tags: openmc/openmc:latest-libmesh
diff --git a/.github/workflows/dockerhub-publish-release-dagmc-libmesh.yml b/.github/workflows/dockerhub-publish-release-dagmc-libmesh.yml
index c90302af4..db62bb53e 100644
--- a/.github/workflows/dockerhub-publish-release-dagmc-libmesh.yml
+++ b/.github/workflows/dockerhub-publish-release-dagmc-libmesh.yml
@@ -8,25 +8,25 @@ jobs:
   main:
     runs-on: ubuntu-latest
     steps:
-      - uses: actions/checkout@v3
+      - uses: actions/checkout@v4
       - name: Set env
         run: echo "RELEASE_VERSION=${GITHUB_REF#refs/*/}" >> $GITHUB_ENV
       -
         name: Set up QEMU
-        uses: docker/setup-qemu-action@v2
+        uses: docker/setup-qemu-action@v3
       -
         name: Set up Docker Buildx
-        uses: docker/setup-buildx-action@v2
+        uses: docker/setup-buildx-action@v3
       -
         name: Login to DockerHub
-        uses: docker/login-action@v2
+        uses: docker/login-action@v3
         with:
           username: ${{ secrets.DOCKERHUB_USERNAME }}
           password: ${{ secrets.DOCKERHUB_TOKEN }}
       -
         name: Build and push
         id: docker_build
-        uses: docker/build-push-action@v4
+        uses: docker/build-push-action@v5
         with:
           push: true
           tags: openmc/openmc:${{ env.RELEASE_VERSION }}-dagmc-libmesh
diff --git a/.github/workflows/dockerhub-publish-release-dagmc.yml b/.github/workflows/dockerhub-publish-release-dagmc.yml
index ef66f6ead..de9593782 100644
--- a/.github/workflows/dockerhub-publish-release-dagmc.yml
+++ b/.github/workflows/dockerhub-publish-release-dagmc.yml
@@ -8,25 +8,25 @@ jobs:
   main:
     runs-on: ubuntu-latest
     steps:
-      - uses: actions/checkout@v3
+      - uses: actions/checkout@v4
       - name: Set env
         run: echo "RELEASE_VERSION=${GITHUB_REF#refs/*/}" >> $GITHUB_ENV
       -
         name: Set up QEMU
-        uses: docker/setup-qemu-action@v2
+        uses: docker/setup-qemu-action@v3
       -
         name: Set up Docker Buildx
-        uses: docker/setup-buildx-action@v2
+        uses: docker/setup-buildx-action@v3
       -
         name: Login to DockerHub
-        uses: docker/login-action@v2 
+        uses: docker/login-action@v3 
         with:
           username: ${{ secrets.DOCKERHUB_USERNAME }}
           password: ${{ secrets.DOCKERHUB_TOKEN }}
       -
         name: Build and push
         id: docker_build
-        uses: docker/build-push-action@v4
+        uses: docker/build-push-action@v5
         with:
           push: true
           tags: openmc/openmc:${{ env.RELEASE_VERSION }}-dagmc
diff --git a/.github/workflows/dockerhub-publish-release-libmesh.yml b/.github/workflows/dockerhub-publish-release-libmesh.yml
index 72edfbc68..e8ea98aeb 100644
--- a/.github/workflows/dockerhub-publish-release-libmesh.yml
+++ b/.github/workflows/dockerhub-publish-release-libmesh.yml
@@ -8,25 +8,25 @@ jobs:
   main:
     runs-on: ubuntu-latest
     steps:
-      - uses: actions/checkout@v3
+      - uses: actions/checkout@v4
       - name: Set env
         run: echo "RELEASE_VERSION=${GITHUB_REF#refs/*/}" >> $GITHUB_ENV
       -
         name: Set up QEMU
-        uses: docker/setup-qemu-action@v2
+        uses: docker/setup-qemu-action@v3
       -
         name: Set up Docker Buildx
-        uses: docker/setup-buildx-action@v2
+        uses: docker/setup-buildx-action@v3
       -
         name: Login to DockerHub
-        uses: docker/login-action@v2
+        uses: docker/login-action@v3
         with:
           username: ${{ secrets.DOCKERHUB_USERNAME }}
           password: ${{ secrets.DOCKERHUB_TOKEN }}
       -
         name: Build and push
         id: docker_build
-        uses: docker/build-push-action@v4
+        uses: docker/build-push-action@v5
         with:
           push: true
           tags: openmc/openmc:${{ env.RELEASE_VERSION }}-libmesh
diff --git a/.github/workflows/dockerhub-publish-release.yml b/.github/workflows/dockerhub-publish-release.yml
index 22d21b4c9..fab030192 100644
--- a/.github/workflows/dockerhub-publish-release.yml
+++ b/.github/workflows/dockerhub-publish-release.yml
@@ -8,25 +8,25 @@ jobs:
   main:
     runs-on: ubuntu-latest
     steps:
-      - uses: actions/checkout@v3
+      - uses: actions/checkout@v4
       - name: Set env
         run: echo "RELEASE_VERSION=${GITHUB_REF#refs/*/}" >> $GITHUB_ENV
       -
         name: Set up QEMU
-        uses: docker/setup-qemu-action@v2
+        uses: docker/setup-qemu-action@v3
       -
         name: Set up Docker Buildx
-        uses: docker/setup-buildx-action@v2
+        uses: docker/setup-buildx-action@v3
       -
         name: Login to DockerHub
-        uses: docker/login-action@v2 
+        uses: docker/login-action@v3 
         with:
           username: ${{ secrets.DOCKERHUB_USERNAME }}
           password: ${{ secrets.DOCKERHUB_TOKEN }}
       -
         name: Build and push
         id: docker_build
-        uses: docker/build-push-action@v4
+        uses: docker/build-push-action@v5
         with:
           push: true
           tags: openmc/openmc:${{ env.RELEASE_VERSION }}
diff --git a/.github/workflows/dockerhub-publish.yml b/.github/workflows/dockerhub-publish.yml
index 00a3ba316..fd51a9fa7 100644
--- a/.github/workflows/dockerhub-publish.yml
+++ b/.github/workflows/dockerhub-publish.yml
@@ -10,20 +10,20 @@ jobs:
     steps:
       -
         name: Set up QEMU
-        uses: docker/setup-qemu-action@v2
+        uses: docker/setup-qemu-action@v3
       -
         name: Set up Docker Buildx
-        uses: docker/setup-buildx-action@v2
+        uses: docker/setup-buildx-action@v3
       -
         name: Login to DockerHub
-        uses: docker/login-action@v2 
+        uses: docker/login-action@v3 
         with:
           username: ${{ secrets.DOCKERHUB_USERNAME }}
           password: ${{ secrets.DOCKERHUB_TOKEN }}
       -
         name: Build and push
         id: docker_build
-        uses: docker/build-push-action@v4
+        uses: docker/build-push-action@v5
         with:
           push: true
           tags: openmc/openmc:latest
diff --git a/.github/workflows/format-check.yml b/.github/workflows/format-check.yml
index 36ccece3c..cef14ca2c 100644
--- a/.github/workflows/format-check.yml
+++ b/.github/workflows/format-check.yml
@@ -13,7 +13,7 @@ jobs:
   cpp-linter:
     runs-on: ubuntu-latest
     steps:
-      - uses: actions/checkout@v3
+      - uses: actions/checkout@v4
       - uses: cpp-linter/cpp-linter-action@v2
         id: linter
         env:

From d10e128e76912f26936b4922fa1f9026084c6576 Mon Sep 17 00:00:00 2001
From: Micah Gale <micah.gale@inl.gov>
Date: Wed, 13 Mar 2024 18:13:02 -0500
Subject: [PATCH 2043/2654] Fixed small sphinx typo (#2915)

---
 openmc/cell.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/cell.py b/openmc/cell.py
index 0af6ea2b4..998640930 100644
--- a/openmc/cell.py
+++ b/openmc/cell.py
@@ -722,7 +722,7 @@ class Cell(IDManagerMixin):
             Dictionary mapping surface IDs to :class:`openmc.Surface` instances
         materials : dict
             Dictionary mapping material ID strings to :class:`openmc.Material`
-            instances (defined in :math:`openmc.Geometry.from_xml`)
+            instances (defined in :meth:`openmc.Geometry.from_xml`)
         get_universe : function
             Function returning universe (defined in
             :meth:`openmc.Geometry.from_xml`)

From 231fcb651b82b02eec86ff56bb14d3abfe9b4767 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Sun, 17 Mar 2024 15:23:24 +0000
Subject: [PATCH 2044/2654] Mkdir to always allow parents and exist ok (#2914)

---
 openmc/model/model.py | 6 +++---
 1 file changed, 3 insertions(+), 3 deletions(-)

diff --git a/openmc/model/model.py b/openmc/model/model.py
index abef9bb7a..2be6fcefa 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -449,7 +449,7 @@ class Model:
         # Create directory if required
         d = Path(directory)
         if not d.is_dir():
-            d.mkdir(parents=True)
+            d.mkdir(parents=True, exist_ok=True)
 
         self.settings.export_to_xml(d)
         self.geometry.export_to_xml(d, remove_surfs=remove_surfs)
@@ -490,14 +490,14 @@ class Model:
         # exist, create it and place a 'model.xml' file there.
         if not str(xml_path).endswith('.xml'):
             if not xml_path.exists():
-                os.mkdir(xml_path)
+                xml_path.mkdir(parents=True, exist_ok=True)
             elif not xml_path.is_dir():
                 raise FileExistsError(f"File exists and is not a directory: '{xml_path}'")
             xml_path /= 'model.xml'
         # if this is an XML file location and the file's parent directory does
         # not exist, create it before continuing
         elif not xml_path.parent.exists():
-            os.mkdir(xml_path.parent)
+            xml_path.parent.mkdir(parents=True, exist_ok=True)
 
         if remove_surfs:
             warnings.warn("remove_surfs kwarg will be deprecated soon, please "

From 23f19a0310f462c81313d4e21f3cb08a3695e85f Mon Sep 17 00:00:00 2001
From: Micah Gale <micah.gale@inl.gov>
Date: Thu, 21 Mar 2024 14:22:35 -0500
Subject: [PATCH 2045/2654] Implemented contains for BoundingBox containing
 other BoundingBox (#2906)

Co-authored-by: Jonathan Shimwell <drshimwell@gmail.com>
---
 openmc/bounding_box.py                | 20 +++++++++++---
 tests/unit_tests/test_bounding_box.py | 38 ++++++++++++++++++++++++---
 2 files changed, 52 insertions(+), 6 deletions(-)

diff --git a/openmc/bounding_box.py b/openmc/bounding_box.py
index e5655cf8c..6e58ca8ba 100644
--- a/openmc/bounding_box.py
+++ b/openmc/bounding_box.py
@@ -95,9 +95,23 @@ class BoundingBox:
         new |= other
         return new
 
-    def __contains__(self, point):
-        """Check whether or not a point is in the bounding box"""
-        return all(point > self.lower_left) and all(point < self.upper_right)
+    def __contains__(self, other):
+        """Check whether or not a point or another bounding box is in the bounding box.
+
+        For another bounding box to be in the parent it must lie fully inside of it.
+        """
+        # test for a single point
+        if isinstance(other, (tuple, list, np.ndarray)):
+            point = other
+            check_length("Point", point, 3, 3)
+            return all(point > self.lower_left) and all(point < self.upper_right)
+        elif isinstance(other, BoundingBox):
+            return all([p in self for p in [other.lower_left, other.upper_right]])
+        else:
+            raise TypeError(
+                f"Unable to determine if {other} is in the bounding box."
+                f" Expected a tuple or a bounding box, but {type(other)} given"
+            )
 
     @property
     def center(self) -> np.ndarray:
diff --git a/tests/unit_tests/test_bounding_box.py b/tests/unit_tests/test_bounding_box.py
index 89e504271..57c880092 100644
--- a/tests/unit_tests/test_bounding_box.py
+++ b/tests/unit_tests/test_bounding_box.py
@@ -78,9 +78,9 @@ def test_bounding_box_input_checking():
 
 
 def test_bounding_box_extents():
-    assert test_bb_1.extent['xy'] == (-10., 1., -20., 2.)
-    assert test_bb_1.extent['xz'] == (-10., 1., -30., 3.)
-    assert test_bb_1.extent['yz'] == (-20., 2., -30., 3.)
+    assert test_bb_1.extent["xy"] == (-10.0, 1.0, -20.0, 2.0)
+    assert test_bb_1.extent["xz"] == (-10.0, 1.0, -30.0, 3.0)
+    assert test_bb_1.extent["yz"] == (-20.0, 2.0, -30.0, 3.0)
 
 
 def test_bounding_box_methods():
@@ -156,3 +156,35 @@ def test_bounding_box_methods():
 
     assert all(test_bb[0] == [-50.1, -50.1, -12.1])
     assert all(test_bb[1] == [50.1, 14.1, 50.1])
+
+
+@pytest.mark.parametrize(
+    "bb, other, expected",
+    [
+        (test_bb_1, (0, 0, 0), True),
+        (test_bb_2, (3, 3, 3), False),
+        # completely disjoint
+        (test_bb_1, test_bb_2, False),
+        # contained but touching border
+        (test_bb_1, test_bb_3, False),
+        # Fully contained
+        (test_bb_1, openmc.BoundingBox((-9, -19, -29), (0, 0, 0)), True),
+        # intersecting boxes
+        (test_bb_1, openmc.BoundingBox((-9, -19, -29), (1, 2, 5)), False),
+    ],
+)
+def test_bounding_box_contains(bb, other, expected):
+    assert (other in bb) == expected
+
+
+@pytest.mark.parametrize(
+    "invalid, ex",
+    [
+        ((1, 0), ValueError),
+        ((1, 2, 3, 4), ValueError),
+        ("foo", TypeError),
+    ],
+)
+def test_bounding_box_contains_checking(invalid, ex):
+    with pytest.raises(ex):
+        invalid in test_bb_1

From ce7efa415e2b8fae049266f72c714d543575de96 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Sat, 23 Mar 2024 17:29:09 -0500
Subject: [PATCH 2046/2654] Fix Chain.form_matrix to work with scipy 1.12
 (#2922)

---
 openmc/deplete/chain.py | 23 ++++++++++++-----------
 setup.py                |  2 +-
 2 files changed, 13 insertions(+), 12 deletions(-)

diff --git a/openmc/deplete/chain.py b/openmc/deplete/chain.py
index 607168955..e15b127d0 100644
--- a/openmc/deplete/chain.py
+++ b/openmc/deplete/chain.py
@@ -597,9 +597,12 @@ class Chain:
         --------
         :meth:`get_default_fission_yields`
         """
-        matrix = defaultdict(float)
         reactions = set()
 
+        # Use DOK matrix as intermediate representation for matrix
+        n = len(self)
+        matrix = sp.dok_matrix((n, n))
+
         if fission_yields is None:
             fission_yields = self.get_default_fission_yields()
 
@@ -674,11 +677,8 @@ class Chain:
                 # Clear set of reactions
                 reactions.clear()
 
-        # Use DOK matrix as intermediate representation, then convert to CSC and return
-        n = len(self)
-        matrix_dok = sp.dok_matrix((n, n))
-        dict.update(matrix_dok, matrix)
-        return matrix_dok.tocsc()
+        # Return CSC representation instead of DOK
+        return matrix.tocsc()
 
     def form_rr_term(self, tr_rates, mats):
         """Function to form the transfer rate term matrices.
@@ -711,7 +711,9 @@ class Chain:
             Sparse matrix representing transfer term.
 
         """
-        matrix = defaultdict(float)
+        # Use DOK as intermediate representation
+        n = len(self)
+        matrix = sp.dok_matrix((n, n))
 
         for i, nuc in enumerate(self.nuclides):
             elm = re.split(r'\d+', nuc.name)[0]
@@ -737,10 +739,9 @@ class Chain:
                 else:
                     matrix[i, i] = 0.0
             #Nothing else is allowed
-        n = len(self)
-        matrix_dok = sp.dok_matrix((n, n))
-        dict.update(matrix_dok, matrix)
-        return matrix_dok.tocsc()
+
+        # Return CSC instead of DOK
+        return matrix.tocsc()
 
     def get_branch_ratios(self, reaction="(n,gamma)"):
         """Return a dictionary with reaction branching ratios
diff --git a/setup.py b/setup.py
index 84a2ad367..eeb0b3f29 100755
--- a/setup.py
+++ b/setup.py
@@ -64,7 +64,7 @@ kwargs = {
     # Dependencies
     'python_requires': '>=3.7',
     'install_requires': [
-        'numpy>=1.9', 'h5py', 'scipy<1.12', 'ipython', 'matplotlib',
+        'numpy>=1.9', 'h5py', 'scipy', 'ipython', 'matplotlib',
         'pandas', 'lxml', 'uncertainties'
     ],
     'extras_require': {

From 9fee6534b6e873d24a4df7fe42d0bf5a988e207a Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 26 Mar 2024 11:00:06 -0500
Subject: [PATCH 2047/2654] Prepare for NumPy 2.0 (#2845)

---
 openmc/data/correlated.py                   |  2 +-
 openmc/data/energy_distribution.py          | 14 +++----
 openmc/data/function.py                     |  6 +--
 openmc/data/kalbach_mann.py                 |  2 +-
 openmc/data/multipole.py                    |  2 +-
 openmc/data/nbody.py                        |  2 +-
 openmc/data/neutron.py                      |  2 +-
 openmc/data/photon.py                       |  2 +-
 openmc/data/product.py                      |  4 +-
 openmc/data/reaction.py                     |  4 +-
 openmc/data/resonance_covariance.py         |  7 ++--
 openmc/data/thermal.py                      |  6 +--
 openmc/data/thermal_angle_energy.py         | 10 ++---
 openmc/data/uncorrelated.py                 |  2 +-
 openmc/deplete/stepresult.py                |  2 +-
 openmc/mgxs_library.py                      |  8 ++--
 openmc/plots.py                             |  4 +-
 openmc/source.py                            |  2 +-
 openmc/stats/univariate.py                  | 44 +++++++++++----------
 tests/unit_tests/test_deplete_integrator.py | 16 ++++----
 tests/unit_tests/test_source_file.py        |  2 +-
 tests/unit_tests/test_stats.py              |  3 +-
 22 files changed, 74 insertions(+), 72 deletions(-)

diff --git a/openmc/data/correlated.py b/openmc/data/correlated.py
index f131ce30d..2ff095a5c 100644
--- a/openmc/data/correlated.py
+++ b/openmc/data/correlated.py
@@ -113,7 +113,7 @@ class CorrelatedAngleEnergy(AngleEnergy):
             HDF5 group to write to
 
         """
-        group.attrs['type'] = np.string_(self._name)
+        group.attrs['type'] = np.bytes_(self._name)
 
         dset = group.create_dataset('energy', data=self.energy)
         dset.attrs['interpolation'] = np.vstack((self.breakpoints,
diff --git a/openmc/data/energy_distribution.py b/openmc/data/energy_distribution.py
index a13893a68..b3566e999 100644
--- a/openmc/data/energy_distribution.py
+++ b/openmc/data/energy_distribution.py
@@ -277,7 +277,7 @@ class MaxwellEnergy(EnergyDistribution):
 
         """
 
-        group.attrs['type'] = np.string_('maxwell')
+        group.attrs['type'] = np.bytes_('maxwell')
         group.attrs['u'] = self.u
         self.theta.to_hdf5(group, 'theta')
 
@@ -410,7 +410,7 @@ class Evaporation(EnergyDistribution):
 
         """
 
-        group.attrs['type'] = np.string_('evaporation')
+        group.attrs['type'] = np.bytes_('evaporation')
         group.attrs['u'] = self.u
         self.theta.to_hdf5(group, 'theta')
 
@@ -556,7 +556,7 @@ class WattEnergy(EnergyDistribution):
 
         """
 
-        group.attrs['type'] = np.string_('watt')
+        group.attrs['type'] = np.bytes_('watt')
         group.attrs['u'] = self.u
         self.a.to_hdf5(group, 'a')
         self.b.to_hdf5(group, 'b')
@@ -728,7 +728,7 @@ class MadlandNix(EnergyDistribution):
 
         """
 
-        group.attrs['type'] = np.string_('madland-nix')
+        group.attrs['type'] = np.bytes_('madland-nix')
         group.attrs['efl'] = self.efl
         group.attrs['efh'] = self.efh
         self.tm.to_hdf5(group)
@@ -846,7 +846,7 @@ class DiscretePhoton(EnergyDistribution):
 
         """
 
-        group.attrs['type'] = np.string_('discrete_photon')
+        group.attrs['type'] = np.bytes_('discrete_photon')
         group.attrs['primary_flag'] = self.primary_flag
         group.attrs['energy'] = self.energy
         group.attrs['atomic_weight_ratio'] = self.atomic_weight_ratio
@@ -945,7 +945,7 @@ class LevelInelastic(EnergyDistribution):
 
         """
 
-        group.attrs['type'] = np.string_('level')
+        group.attrs['type'] = np.bytes_('level')
         group.attrs['threshold'] = self.threshold
         group.attrs['mass_ratio'] = self.mass_ratio
 
@@ -1074,7 +1074,7 @@ class ContinuousTabular(EnergyDistribution):
 
         """
 
-        group.attrs['type'] = np.string_('continuous')
+        group.attrs['type'] = np.bytes_('continuous')
 
         dset = group.create_dataset('energy', data=self.energy)
         dset.attrs['interpolation'] = np.vstack((self.breakpoints,
diff --git a/openmc/data/function.py b/openmc/data/function.py
index 299924b37..23fd5e9d4 100644
--- a/openmc/data/function.py
+++ b/openmc/data/function.py
@@ -364,7 +364,7 @@ class Tabulated1D(Function1D):
         """
         dataset = group.create_dataset(name, data=np.vstack(
             [self.x, self.y]))
-        dataset.attrs['type'] = np.string_(type(self).__name__)
+        dataset.attrs['type'] = np.bytes_(type(self).__name__)
         dataset.attrs['breakpoints'] = self.breakpoints
         dataset.attrs['interpolation'] = self.interpolation
 
@@ -460,7 +460,7 @@ class Polynomial(np.polynomial.Polynomial, Function1D):
 
         """
         dataset = group.create_dataset(name, data=self.coef)
-        dataset.attrs['type'] = np.string_(type(self).__name__)
+        dataset.attrs['type'] = np.bytes_(type(self).__name__)
 
     @classmethod
     def from_hdf5(cls, dataset):
@@ -592,7 +592,7 @@ class Sum(Function1D):
 
         """
         sum_group = group.create_group(name)
-        sum_group.attrs['type'] = np.string_(type(self).__name__)
+        sum_group.attrs['type'] = np.bytes_(type(self).__name__)
         sum_group.attrs['n'] = len(self.functions)
         for i, f in enumerate(self.functions):
             f.to_hdf5(sum_group, f'func_{i+1}')
diff --git a/openmc/data/kalbach_mann.py b/openmc/data/kalbach_mann.py
index b49399139..d92bf9c21 100644
--- a/openmc/data/kalbach_mann.py
+++ b/openmc/data/kalbach_mann.py
@@ -366,7 +366,7 @@ class KalbachMann(AngleEnergy):
             HDF5 group to write to
 
         """
-        group.attrs['type'] = np.string_('kalbach-mann')
+        group.attrs['type'] = np.bytes_('kalbach-mann')
 
         dset = group.create_dataset('energy', data=self.energy)
         dset.attrs['interpolation'] = np.vstack((self.breakpoints,
diff --git a/openmc/data/multipole.py b/openmc/data/multipole.py
index 9fd6c9a9b..d45d2beb6 100644
--- a/openmc/data/multipole.py
+++ b/openmc/data/multipole.py
@@ -1273,7 +1273,7 @@ class WindowedMultipole(EqualityMixin):
 
         # Open file and write version.
         with h5py.File(str(path), mode, libver=libver) as f:
-            f.attrs['filetype'] = np.string_('data_wmp')
+            f.attrs['filetype'] = np.bytes_('data_wmp')
             f.attrs['version'] = np.array(WMP_VERSION)
 
             g = f.create_group(self.name)
diff --git a/openmc/data/nbody.py b/openmc/data/nbody.py
index 1f2ff5b4d..ec1ac25c0 100644
--- a/openmc/data/nbody.py
+++ b/openmc/data/nbody.py
@@ -91,7 +91,7 @@ class NBodyPhaseSpace(AngleEnergy):
             HDF5 group to write to
 
         """
-        group.attrs['type'] = np.string_('nbody')
+        group.attrs['type'] = np.bytes_('nbody')
         group.attrs['total_mass'] = self.total_mass
         group.attrs['n_particles'] = self.n_particles
         group.attrs['atomic_weight_ratio'] = self.atomic_weight_ratio
diff --git a/openmc/data/neutron.py b/openmc/data/neutron.py
index e0c0032f0..94833d4b3 100644
--- a/openmc/data/neutron.py
+++ b/openmc/data/neutron.py
@@ -425,7 +425,7 @@ class IncidentNeutron(EqualityMixin):
 
         # Open file and write version
         with h5py.File(str(path), mode, libver=libver) as f:
-            f.attrs['filetype'] = np.string_('data_neutron')
+            f.attrs['filetype'] = np.bytes_('data_neutron')
             f.attrs['version'] = np.array(HDF5_VERSION)
 
             # Write basic data
diff --git a/openmc/data/photon.py b/openmc/data/photon.py
index 7c96e9fac..ba4bf5c88 100644
--- a/openmc/data/photon.py
+++ b/openmc/data/photon.py
@@ -764,7 +764,7 @@ class IncidentPhoton(EqualityMixin):
         """
         with h5py.File(str(path), mode, libver=libver) as f:
             # Write filetype and version
-            f.attrs['filetype'] = np.string_('data_photon')
+            f.attrs['filetype'] = np.bytes_('data_photon')
             if 'version' not in f.attrs:
                 f.attrs['version'] = np.array(HDF5_VERSION)
 
diff --git a/openmc/data/product.py b/openmc/data/product.py
index 93697a9e7..4a9b07aee 100644
--- a/openmc/data/product.py
+++ b/openmc/data/product.py
@@ -124,8 +124,8 @@ class Product(EqualityMixin):
             HDF5 group to write to
 
         """
-        group.attrs['particle'] = np.string_(self.particle)
-        group.attrs['emission_mode'] = np.string_(self.emission_mode)
+        group.attrs['particle'] = np.bytes_(self.particle)
+        group.attrs['emission_mode'] = np.bytes_(self.emission_mode)
         if self.decay_rate > 0.0:
             group.attrs['decay_rate'] = self.decay_rate
 
diff --git a/openmc/data/reaction.py b/openmc/data/reaction.py
index 04a68d739..8ba478782 100644
--- a/openmc/data/reaction.py
+++ b/openmc/data/reaction.py
@@ -920,9 +920,9 @@ class Reaction(EqualityMixin):
 
         group.attrs['mt'] = self.mt
         if self.mt in REACTION_NAME:
-            group.attrs['label'] = np.string_(REACTION_NAME[self.mt])
+            group.attrs['label'] = np.bytes_(REACTION_NAME[self.mt])
         else:
-            group.attrs['label'] = np.string_(self.mt)
+            group.attrs['label'] = np.bytes_(self.mt)
         group.attrs['Q_value'] = self.q_value
         group.attrs['center_of_mass'] = 1 if self.center_of_mass else 0
         group.attrs['redundant'] = 1 if self.redundant else 0
diff --git a/openmc/data/resonance_covariance.py b/openmc/data/resonance_covariance.py
index 9ba429cb4..709657044 100644
--- a/openmc/data/resonance_covariance.py
+++ b/openmc/data/resonance_covariance.py
@@ -239,14 +239,14 @@ class ResonanceCovarianceRange:
         samples = []
 
         # Handling MLBW/SLBW sampling
+        rng = np.random.default_rng()
         if formalism == 'mlbw' or formalism == 'slbw':
             params = ['energy', 'neutronWidth', 'captureWidth', 'fissionWidth',
                       'competitiveWidth']
             param_list = params[:mpar]
             mean_array = parameters[param_list].values
             mean = mean_array.flatten()
-            par_samples = np.random.multivariate_normal(mean, cov,
-                                                        size=n_samples)
+            par_samples = rng.multivariate_normal(mean, cov, size=n_samples)
             spin = parameters['J'].values
             l_value = parameters['L'].values
             for sample in par_samples:
@@ -277,8 +277,7 @@ class ResonanceCovarianceRange:
             param_list = params[:mpar]
             mean_array = parameters[param_list].values
             mean = mean_array.flatten()
-            par_samples = np.random.multivariate_normal(mean, cov,
-                                                        size=n_samples)
+            par_samples = rng.multivariate_normal(mean, cov, size=n_samples)
             spin = parameters['J'].values
             l_value = parameters['L'].values
             for sample in par_samples:
diff --git a/openmc/data/thermal.py b/openmc/data/thermal.py
index 994a8ed2a..f8dd43ed9 100644
--- a/openmc/data/thermal.py
+++ b/openmc/data/thermal.py
@@ -221,7 +221,7 @@ class CoherentElastic(Function1D):
         """
         dataset = group.create_dataset(name, data=np.vstack(
             [self.bragg_edges, self.factors]))
-        dataset.attrs['type'] = np.string_(type(self).__name__)
+        dataset.attrs['type'] = np.bytes_(type(self).__name__)
 
     @classmethod
     def from_hdf5(cls, dataset):
@@ -294,7 +294,7 @@ class IncoherentElastic(Function1D):
         """
         data = np.array([self.bound_xs, self.debye_waller])
         dataset = group.create_dataset(name, data=data)
-        dataset.attrs['type'] = np.string_(type(self).__name__)
+        dataset.attrs['type'] = np.bytes_(type(self).__name__)
 
     @classmethod
     def from_hdf5(cls, dataset):
@@ -464,7 +464,7 @@ class ThermalScattering(EqualityMixin):
         """
         # Open file and write version
         with h5py.File(str(path), mode, libver=libver) as f:
-            f.attrs['filetype'] = np.string_('data_thermal')
+            f.attrs['filetype'] = np.bytes_('data_thermal')
             f.attrs['version'] = np.array(HDF5_VERSION)
 
             # Write basic data
diff --git a/openmc/data/thermal_angle_energy.py b/openmc/data/thermal_angle_energy.py
index 17a560092..0dd2a0b7a 100644
--- a/openmc/data/thermal_angle_energy.py
+++ b/openmc/data/thermal_angle_energy.py
@@ -43,7 +43,7 @@ class CoherentElasticAE(AngleEnergy):
             HDF5 group to write to
 
         """
-        group.attrs['type'] = np.string_('coherent_elastic')
+        group.attrs['type'] = np.bytes_('coherent_elastic')
         self.coherent_xs.to_hdf5(group, 'coherent_xs')
 
     @classmethod
@@ -104,7 +104,7 @@ class IncoherentElasticAE(AngleEnergy):
             HDF5 group to write to
 
         """
-        group.attrs['type'] = np.string_('incoherent_elastic')
+        group.attrs['type'] = np.bytes_('incoherent_elastic')
         group.create_dataset('debye_waller', data=self.debye_waller)
 
     @classmethod
@@ -146,7 +146,7 @@ class IncoherentElasticAEDiscrete(AngleEnergy):
             HDF5 group to write to
 
         """
-        group.attrs['type'] = np.string_('incoherent_elastic_discrete')
+        group.attrs['type'] = np.bytes_('incoherent_elastic_discrete')
         group.create_dataset('mu_out', data=self.mu_out)
 
     @classmethod
@@ -203,7 +203,7 @@ class IncoherentInelasticAEDiscrete(AngleEnergy):
             HDF5 group to write to
 
         """
-        group.attrs['type'] = np.string_('incoherent_inelastic_discrete')
+        group.attrs['type'] = np.bytes_('incoherent_inelastic_discrete')
         group.create_dataset('energy_out', data=self.energy_out)
         group.create_dataset('mu_out', data=self.mu_out)
         group.create_dataset('skewed', data=self.skewed)
@@ -266,7 +266,7 @@ class MixedElasticAE(AngleEnergy):
             HDF5 group to write to
 
         """
-        group.attrs['type'] = np.string_('mixed_elastic')
+        group.attrs['type'] = np.bytes_('mixed_elastic')
         coherent_group = group.create_group('coherent')
         self.coherent.to_hdf5(coherent_group)
         incoherent_group = group.create_group('incoherent')
diff --git a/openmc/data/uncorrelated.py b/openmc/data/uncorrelated.py
index 9dcb18bf6..141007b70 100644
--- a/openmc/data/uncorrelated.py
+++ b/openmc/data/uncorrelated.py
@@ -63,7 +63,7 @@ class UncorrelatedAngleEnergy(AngleEnergy):
             HDF5 group to write to
 
         """
-        group.attrs['type'] = np.string_('uncorrelated')
+        group.attrs['type'] = np.bytes_('uncorrelated')
         if self.angle is not None:
             angle_group = group.create_group('angle')
             self.angle.to_hdf5(angle_group)
diff --git a/openmc/deplete/stepresult.py b/openmc/deplete/stepresult.py
index 372f7cf25..9cf33898f 100644
--- a/openmc/deplete/stepresult.py
+++ b/openmc/deplete/stepresult.py
@@ -291,7 +291,7 @@ class StepResult:
         # Store concentration mat and nuclide dictionaries (along with volumes)
 
         handle.attrs['version'] = np.array(VERSION_RESULTS)
-        handle.attrs['filetype'] = np.string_('depletion results')
+        handle.attrs['filetype'] = np.bytes_('depletion results')
 
         mat_list = sorted(self.mat_to_hdf5_ind, key=int)
         nuc_list = sorted(self.index_nuc)
diff --git a/openmc/mgxs_library.py b/openmc/mgxs_library.py
index 85e15f8eb..642da83d1 100644
--- a/openmc/mgxs_library.py
+++ b/openmc/mgxs_library.py
@@ -1964,7 +1964,7 @@ class XSdata:
             grp.attrs['fissionable'] = self.fissionable
 
         if self.representation is not None:
-            grp.attrs['representation'] = np.string_(self.representation)
+            grp.attrs['representation'] = np.bytes_(self.representation)
             if self.representation == REPRESENTATION_ANGLE:
                 if self.num_azimuthal is not None:
                     grp.attrs['num_azimuthal'] = self.num_azimuthal
@@ -1972,9 +1972,9 @@ class XSdata:
                 if self.num_polar is not None:
                     grp.attrs['num_polar'] = self.num_polar
 
-        grp.attrs['scatter_shape'] = np.string_("[G][G'][Order]")
+        grp.attrs['scatter_shape'] = np.bytes_("[G][G'][Order]")
         if self.scatter_format is not None:
-            grp.attrs['scatter_format'] = np.string_(self.scatter_format)
+            grp.attrs['scatter_format'] = np.bytes_(self.scatter_format)
         if self.order is not None:
             grp.attrs['order'] = self.order
 
@@ -2516,7 +2516,7 @@ class MGXSLibrary:
 
         # Create and write to the HDF5 file
         file = h5py.File(filename, "w", libver=libver)
-        file.attrs['filetype'] = np.string_(_FILETYPE_MGXS_LIBRARY)
+        file.attrs['filetype'] = np.bytes_(_FILETYPE_MGXS_LIBRARY)
         file.attrs['version'] = [_VERSION_MGXS_LIBRARY, 0]
         file.attrs['energy_groups'] = self.energy_groups.num_groups
         file.attrs['delayed_groups'] = self.num_delayed_groups
diff --git a/openmc/plots.py b/openmc/plots.py
index c73e3cdf7..5552b18a8 100644
--- a/openmc/plots.py
+++ b/openmc/plots.py
@@ -465,11 +465,11 @@ class PlotBase(IDManagerMixin):
             domains = geometry.get_all_cells().values()
 
         # Set the seed for the random number generator
-        np.random.seed(seed)
+        rng = np.random.RandomState(seed)
 
         # Generate random colors for each feature
         for domain in domains:
-            self.colors[domain] = np.random.randint(0, 256, (3,))
+            self.colors[domain] = rng.randint(0, 256, (3,))
 
     def to_xml_element(self):
         """Save common plot attributes to XML element
diff --git a/openmc/source.py b/openmc/source.py
index 441bf4e76..5942a3107 100644
--- a/openmc/source.py
+++ b/openmc/source.py
@@ -883,7 +883,7 @@ def write_source_file(
     # Write array to file
     kwargs.setdefault('mode', 'w')
     with h5py.File(filename, **kwargs) as fh:
-        fh.attrs['filetype'] = np.string_("source")
+        fh.attrs['filetype'] = np.bytes_("source")
         fh.create_dataset('source_bank', data=arr, dtype=source_dtype)
 
 
diff --git a/openmc/stats/univariate.py b/openmc/stats/univariate.py
index e7ff64257..3d5f647ac 100644
--- a/openmc/stats/univariate.py
+++ b/openmc/stats/univariate.py
@@ -10,6 +10,7 @@ from warnings import warn
 
 import lxml.etree as ET
 import numpy as np
+from scipy.integrate import trapezoid
 
 import openmc.checkvalue as cv
 from .._xml import get_text
@@ -155,9 +156,9 @@ class Discrete(Univariate):
         return np.insert(np.cumsum(self.p), 0, 0.0)
 
     def sample(self, n_samples=1, seed=None):
-        np.random.seed(seed)
+        rng = np.random.RandomState(seed)
         p = self.p / self.p.sum()
-        return np.random.choice(self.x, n_samples, p=p)
+        return rng.choice(self.x, n_samples, p=p)
 
     def normalize(self):
         """Normalize the probabilities stored on the distribution"""
@@ -363,8 +364,8 @@ class Uniform(Univariate):
         return t
 
     def sample(self, n_samples=1, seed=None):
-        np.random.seed(seed)
-        return np.random.uniform(self.a, self.b, n_samples)
+        rng = np.random.RandomState(seed)
+        return rng.uniform(self.a, self.b, n_samples)
 
     def to_xml_element(self, element_name: str):
         """Return XML representation of the uniform distribution
@@ -468,8 +469,8 @@ class PowerLaw(Univariate):
         self._n = n
 
     def sample(self, n_samples=1, seed=None):
-        np.random.seed(seed)
-        xi = np.random.rand(n_samples)
+        rng = np.random.RandomState(seed)
+        xi = rng.random(n_samples)
         pwr = self.n + 1
         offset = self.a**pwr
         span = self.b**pwr - offset
@@ -549,12 +550,14 @@ class Maxwell(Univariate):
         self._theta = theta
 
     def sample(self, n_samples=1, seed=None):
-        np.random.seed(seed)
-        return self.sample_maxwell(self.theta, n_samples)
+        rng = np.random.RandomState(seed)
+        return self.sample_maxwell(self.theta, n_samples, rng=rng)
 
     @staticmethod
-    def sample_maxwell(t, n_samples: int):
-        r1, r2, r3 = np.random.rand(3, n_samples)
+    def sample_maxwell(t, n_samples: int, rng=None):
+        if rng is None:
+            rng = np.random.default_rng()
+        r1, r2, r3 = rng.random((3, n_samples))
         c = np.cos(0.5 * np.pi * r3)
         return -t * (np.log(r1) + np.log(r2) * c * c)
 
@@ -647,9 +650,9 @@ class Watt(Univariate):
         self._b = b
 
     def sample(self, n_samples=1, seed=None):
-        np.random.seed(seed)
-        w = Maxwell.sample_maxwell(self.a, n_samples)
-        u = np.random.uniform(-1., 1., n_samples)
+        rng = np.random.RandomState(seed)
+        w = Maxwell.sample_maxwell(self.a, n_samples, rng=rng)
+        u = rng.uniform(-1., 1., n_samples)
         aab = self.a * self.a * self.b
         return w + 0.25*aab + u*np.sqrt(aab*w)
 
@@ -740,8 +743,8 @@ class Normal(Univariate):
         self._std_dev = std_dev
 
     def sample(self, n_samples=1, seed=None):
-        np.random.seed(seed)
-        return np.random.normal(self.mean_value, self.std_dev, n_samples)
+        rng = np.random.RandomState(seed)
+        return rng.normal(self.mean_value, self.std_dev, n_samples)
 
     def to_xml_element(self, element_name: str):
         """Return XML representation of the Normal distribution
@@ -952,8 +955,8 @@ class Tabular(Univariate):
         self.p /= self.cdf().max()
 
     def sample(self, n_samples: int = 1, seed: typing.Optional[int] = None):
-        np.random.seed(seed)
-        xi = np.random.rand(n_samples)
+        rng = np.random.RandomState(seed)
+        xi = rng.random(n_samples)
 
         # always use normalized probabilities when sampling
         cdf = self.cdf()
@@ -1069,7 +1072,7 @@ class Tabular(Univariate):
         if self.interpolation == 'histogram':
             return np.sum(np.diff(self.x) * self.p[:-1])
         elif self.interpolation == 'linear-linear':
-            return np.trapz(self.p, self.x)
+            return trapezoid(self.p, self.x)
         else:
             raise NotImplementedError(
                 f'integral() not supported for {self.inteprolation} interpolation')
@@ -1185,7 +1188,7 @@ class Mixture(Univariate):
         return np.insert(np.cumsum(self.probability), 0, 0.0)
 
     def sample(self, n_samples=1, seed=None):
-        np.random.seed(seed)
+        rng = np.random.RandomState(seed)
 
         # Get probability of each distribution accounting for its intensity
         p = np.array([prob*dist.integral() for prob, dist in
@@ -1193,8 +1196,7 @@ class Mixture(Univariate):
         p /= p.sum()
 
         # Sample from the distributions
-        idx = np.random.choice(range(len(self.distribution)),
-                               n_samples, p=p)
+        idx = rng.choice(range(len(self.distribution)), n_samples, p=p)
 
         # Draw samples from the distributions sampled above
         out = np.empty_like(idx, dtype=float)
diff --git a/tests/unit_tests/test_deplete_integrator.py b/tests/unit_tests/test_deplete_integrator.py
index ba625a999..b1d2cb950 100644
--- a/tests/unit_tests/test_deplete_integrator.py
+++ b/tests/unit_tests/test_deplete_integrator.py
@@ -40,7 +40,7 @@ def test_results_save(run_in_tmpdir):
 
     stages = 3
 
-    np.random.seed(comm.rank)
+    rng = np.random.RandomState(comm.rank)
 
     # Mock geometry
     op = MagicMock()
@@ -68,26 +68,26 @@ def test_results_save(run_in_tmpdir):
     x2 = []
 
     for i in range(stages):
-        x1.append([np.random.rand(2), np.random.rand(2)])
-        x2.append([np.random.rand(2), np.random.rand(2)])
+        x1.append([rng.random(2), rng.random(2)])
+        x2.append([rng.random(2), rng.random(2)])
 
     # Construct r
     r1 = ReactionRates(burn_list, ["na", "nb"], ["ra", "rb"])
-    r1[:] = np.random.rand(2, 2, 2)
+    r1[:] = rng.random((2, 2, 2))
 
     rate1 = []
     rate2 = []
 
     for i in range(stages):
         rate1.append(copy.deepcopy(r1))
-        r1[:] = np.random.rand(2, 2, 2)
+        r1[:] = rng.random((2, 2, 2))
         rate2.append(copy.deepcopy(r1))
-        r1[:] = np.random.rand(2, 2, 2)
+        r1[:] = rng.random((2, 2, 2))
 
     # Create global terms
     # Col 0: eig, Col 1: uncertainty
-    eigvl1 = np.random.rand(stages, 2)
-    eigvl2 = np.random.rand(stages, 2)
+    eigvl1 = rng.random((stages, 2))
+    eigvl2 = rng.random((stages, 2))
 
     eigvl1 = comm.bcast(eigvl1, root=0)
     eigvl2 = comm.bcast(eigvl2, root=0)
diff --git a/tests/unit_tests/test_source_file.py b/tests/unit_tests/test_source_file.py
index d9fb3c1f9..1b5549b00 100644
--- a/tests/unit_tests/test_source_file.py
+++ b/tests/unit_tests/test_source_file.py
@@ -78,7 +78,7 @@ def test_wrong_source_attributes(run_in_tmpdir):
     ])
     arr = np.array([(1.0, 2.0, 3), (4.0, 5.0, 6), (7.0, 8.0, 9)], dtype=source_dtype)
     with h5py.File('animal_source.h5', 'w') as fh:
-        fh.attrs['filetype'] = np.string_("source")
+        fh.attrs['filetype'] = np.bytes_("source")
         fh.create_dataset('source_bank', data=arr)
 
     # Create a simple model that uses this lovely animal source
diff --git a/tests/unit_tests/test_stats.py b/tests/unit_tests/test_stats.py
index f5368e912..761f26ab3 100644
--- a/tests/unit_tests/test_stats.py
+++ b/tests/unit_tests/test_stats.py
@@ -4,6 +4,7 @@ import numpy as np
 import pytest
 import openmc
 import openmc.stats
+from scipy.integrate import trapezoid
 
 
 def assert_sample_mean(samples, expected_mean):
@@ -226,7 +227,7 @@ def test_legendre():
 
     # Integrating distribution should yield one
     mu = np.linspace(-1., 1., 1000)
-    assert np.trapz(d(mu), mu) == pytest.approx(1.0, rel=1e-4)
+    assert trapezoid(d(mu), mu) == pytest.approx(1.0, rel=1e-4)
 
     with pytest.raises(NotImplementedError):
         d.to_xml_element('distribution')

From 1a34ddf121cf3ec4929ba7cef160c96a3896dbd9 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 4 Apr 2024 02:54:13 +0200
Subject: [PATCH 2048/2654] Fix CMFD to work with scipy 1.13 (#2936)

---
 openmc/cmfd.py | 14 +++++++++-----
 1 file changed, 9 insertions(+), 5 deletions(-)

diff --git a/openmc/cmfd.py b/openmc/cmfd.py
index 1b4bfa5e2..9b0b4ca83 100644
--- a/openmc/cmfd.py
+++ b/openmc/cmfd.py
@@ -982,14 +982,16 @@ class CMFDRun:
         temp_data = np.ones(len(loss_row))
         temp_loss = sparse.csr_matrix((temp_data, (loss_row, loss_col)),
                                       shape=(n, n))
+        temp_loss.sort_indices()
 
         # Pass coremap as 1-d array of 32-bit integers
         coremap = np.swapaxes(self._coremap, 0, 2).flatten().astype(np.int32)
 
-        args = temp_loss.indptr, len(temp_loss.indptr), \
-            temp_loss.indices, len(temp_loss.indices), n, \
+        return openmc.lib._dll.openmc_initialize_linsolver(
+            temp_loss.indptr.astype(np.int32), len(temp_loss.indptr),
+            temp_loss.indices.astype(np.int32), len(temp_loss.indices), n,
             self._spectral, coremap, self._use_all_threads
-        return openmc.lib._dll.openmc_initialize_linsolver(*args)
+        )
 
     def _write_cmfd_output(self):
         """Write CMFD output to buffer at the end of each batch"""
@@ -1585,6 +1587,7 @@ class CMFDRun:
         loss_row = self._loss_row
         loss_col = self._loss_col
         loss = sparse.csr_matrix((data, (loss_row, loss_col)), shape=(n, n))
+        loss.sort_indices()
         return loss
 
     def _build_prod_matrix(self, adjoint):
@@ -1611,6 +1614,7 @@ class CMFDRun:
         prod_row = self._prod_row
         prod_col = self._prod_col
         prod = sparse.csr_matrix((data, (prod_row, prod_col)), shape=(n, n))
+        prod.sort_indices()
         return prod
 
     def _execute_power_iter(self, loss, prod):
@@ -2307,8 +2311,8 @@ class CMFDRun:
                                    constant_values=_CMFD_NOACCEL)[:,:,1:]
 
         # Create empty row and column vectors to store for loss matrix
-        row = np.array([])
-        col = np.array([])
+        row = np.array([], dtype=int)
+        col = np.array([], dtype=int)
 
         # Store all indices used to populate production and loss matrix
         is_accel = self._coremap != _CMFD_NOACCEL

From cc848effe77c90decdcb453679f0f5ee18e872f7 Mon Sep 17 00:00:00 2001
From: Joffrey Dorville <54550047+JoffreyDorville@users.noreply.github.com>
Date: Thu, 4 Apr 2024 16:32:21 -0500
Subject: [PATCH 2049/2654] Meshborn filter (#2925)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 CMakeLists.txt                                |   1 +
 docs/source/capi/index.rst                    | 102 ++++++++++++
 docs/source/pythonapi/base.rst                |   1 +
 docs/source/pythonapi/capi.rst                |   1 +
 include/openmc/particle_data.h                |   5 +
 include/openmc/tallies/filter.h               |   1 +
 include/openmc/tallies/filter_meshborn.h      |  26 +++
 openmc/filter.py                              |  28 ++++
 openmc/lib/filter.py                          | 151 ++++++++++++++++--
 src/particle.cpp                              |   1 +
 src/tallies/filter.cpp                        |   3 +
 src/tallies/filter_mesh.cpp                   |   2 +
 src/tallies/filter_meshborn.cpp               |  61 +++++++
 src/tallies/filter_meshsurface.cpp            |  12 ++
 src/tallies/tally.cpp                         |   1 +
 .../filter_meshborn/__init__.py               |   0
 .../filter_meshborn/inputs_true.dat           |  51 ++++++
 .../filter_meshborn/results_true.dat          |  54 +++++++
 .../regression_tests/filter_meshborn/test.py  | 107 +++++++++++++
 tests/unit_tests/test_filter_meshborn.py      | 116 ++++++++++++++
 tests/unit_tests/test_tallies.py              |   7 +-
 21 files changed, 720 insertions(+), 11 deletions(-)
 create mode 100644 include/openmc/tallies/filter_meshborn.h
 create mode 100644 src/tallies/filter_meshborn.cpp
 create mode 100644 tests/regression_tests/filter_meshborn/__init__.py
 create mode 100644 tests/regression_tests/filter_meshborn/inputs_true.dat
 create mode 100644 tests/regression_tests/filter_meshborn/results_true.dat
 create mode 100644 tests/regression_tests/filter_meshborn/test.py
 create mode 100644 tests/unit_tests/test_filter_meshborn.py

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 1280daf2b..6922e6b89 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -411,6 +411,7 @@ list(APPEND libopenmc_SOURCES
   src/tallies/filter_material.cpp
   src/tallies/filter_materialfrom.cpp
   src/tallies/filter_mesh.cpp
+  src/tallies/filter_meshborn.cpp
   src/tallies/filter_meshsurface.cpp
   src/tallies/filter_mu.cpp
   src/tallies/filter_particle.cpp
diff --git a/docs/source/capi/index.rst b/docs/source/capi/index.rst
index 52c0b2406..d9ac0d1e0 100644
--- a/docs/source/capi/index.rst
+++ b/docs/source/capi/index.rst
@@ -420,6 +420,16 @@ Functions
    :return: Return status (negative if an error occurred)
    :rtype: int
 
+.. c:function:: int openmc_mesh_filter_get_mesh(int32_t index, int32_t* index_mesh)
+
+   Get the mesh for a mesh filter
+
+   :param int32_t index: Index in the filters array
+   :param index_mesh: Index in the meshes array
+   :type index_mesh: int32_t*
+   :return: Return status (negative if an error occurred)
+   :rtype: int
+
 .. c:function:: int openmc_mesh_filter_set_mesh(int32_t index, int32_t index_mesh)
 
    Set the mesh for a mesh filter
@@ -429,6 +439,98 @@ Functions
    :return: Return status (negative if an error occurred)
    :rtype: int
 
+.. c:function:: int openmc_mesh_filter_get_translation(int32_t index, double translation[3])
+
+   Get the 3-D translation coordinates for a mesh filter
+
+   :param int32_t index: Index in the filters array
+   :param double[3] translation: 3-D translation coordinates
+   :return: Return status (negative if an error occurred)
+   :rtype: int
+
+.. c:function:: int openmc_mesh_filter_set_translation(int32_t index, double translation[3])
+
+   Set the 3-D translation coordinates for a mesh filter
+
+   :param int32_t index: Index in the filters array
+   :param double[3] translation: 3-D translation coordinates
+   :return: Return status (negative if an error occurred)
+   :rtype: int
+
+.. c:function:: int openmc_meshborn_filter_get_mesh(int32_t index, int32_t* index_mesh)
+
+   Get the mesh for a meshborn filter
+
+   :param int32_t index: Index in the filters array
+   :param index_mesh: Index in the meshes array
+   :type index_mesh: int32_t*
+   :return: Return status (negative if an error occurred)
+   :rtype: int
+
+.. c:function:: int openmc_meshborn_filter_set_mesh(int32_t index, int32_t index_mesh)
+
+   Set the mesh for a meshborn filter
+
+   :param int32_t index: Index in the filters array
+   :param int32_t index_mesh: Index in the meshes array
+   :return: Return status (negative if an error occurred)
+   :rtype: int
+
+.. c:function:: int openmc_meshborn_filter_get_translation(int32_t index, double translation[3])
+
+   Get the 3-D translation coordinates for a meshborn filter
+
+   :param int32_t index: Index in the filters array
+   :param double[3] translation: 3-D translation coordinates
+   :return: Return status (negative if an error occurred)
+   :rtype: int
+
+.. c:function:: int openmc_meshborn_filter_set_translation(int32_t index, double translation[3])
+
+   Set the 3-D translation coordinates for a meshborn filter
+
+   :param int32_t index: Index in the filters array
+   :param double[3] translation: 3-D translation coordinates
+   :return: Return status (negative if an error occurred)
+   :rtype: int
+
+.. c:function:: int openmc_meshsurface_filter_get_mesh(int32_t index, int32_t* index_mesh)
+
+   Get the mesh for a mesh surface filter
+
+   :param int32_t index: Index in the filters array
+   :param index_mesh: Index in the meshes array
+   :type index_mesh: int32_t*
+   :return: Return status (negative if an error occurred)
+   :rtype: int
+
+.. c:function:: int openmc_meshsurface_filter_set_mesh(int32_t index, int32_t index_mesh)
+
+   Set the mesh for a mesh surface filter
+
+   :param int32_t index: Index in the filters array
+   :param int32_t index_mesh: Index in the meshes array
+   :return: Return status (negative if an error occurred)
+   :rtype: int
+
+.. c:function:: int openmc_meshsurface_filter_get_translation(int32_t index, double translation[3])
+
+   Get the 3-D translation coordinates for a mesh surface filter
+
+   :param int32_t index: Index in the filters array
+   :param double[3] translation: 3-D translation coordinates
+   :return: Return status (negative if an error occurred)
+   :rtype: int
+
+.. c:function:: int openmc_meshsurface_filter_set_translation(int32_t index, double translation[3])
+
+   Set the 3-D translation coordinates for a mesh surface filter
+
+   :param int32_t index: Index in the filters array
+   :param double[3] translation: 3-D translation coordinates
+   :return: Return status (negative if an error occurred)
+   :rtype: int
+
 .. c:function:: int openmc_next_batch()
 
    Simulate next batch of particles. Must be called after openmc_simulation_init().
diff --git a/docs/source/pythonapi/base.rst b/docs/source/pythonapi/base.rst
index 7b924e374..5ae9f20ed 100644
--- a/docs/source/pythonapi/base.rst
+++ b/docs/source/pythonapi/base.rst
@@ -128,6 +128,7 @@ Constructing Tallies
    openmc.CollisionFilter
    openmc.SurfaceFilter
    openmc.MeshFilter
+   openmc.MeshBornFilter
    openmc.MeshSurfaceFilter
    openmc.EnergyFilter
    openmc.EnergyoutFilter
diff --git a/docs/source/pythonapi/capi.rst b/docs/source/pythonapi/capi.rst
index ef713801c..16bb68ca4 100644
--- a/docs/source/pythonapi/capi.rst
+++ b/docs/source/pythonapi/capi.rst
@@ -59,6 +59,7 @@ Classes
    MaterialFilter
    Material
    MeshFilter
+   MeshBornFilter
    MeshSurfaceFilter
    Nuclide
    RectilinearMesh
diff --git a/include/openmc/particle_data.h b/include/openmc/particle_data.h
index cb68fc457..cceab1d11 100644
--- a/include/openmc/particle_data.h
+++ b/include/openmc/particle_data.h
@@ -262,6 +262,10 @@ public:
   int& cell_last(int i) { return cell_last_[i]; }
   const int& cell_last(int i) const { return cell_last_[i]; }
 
+  // Coordinates at birth
+  Position& r_born() { return r_born_; }
+  const Position& r_born() const { return r_born_; }
+
   // Coordinates of last collision or reflective/periodic surface
   // crossing for current tallies
   Position& r_last_current() { return r_last_current_; }
@@ -323,6 +327,7 @@ private:
   int n_coord_last_ {1};  //!< number of current coordinates
   vector<int> cell_last_; //!< coordinates for all levels
 
+  Position r_born_;         //!< coordinates at birth
   Position r_last_current_; //!< coordinates of the last collision or
                             //!< reflective/periodic surface crossing for
                             //!< current tallies
diff --git a/include/openmc/tallies/filter.h b/include/openmc/tallies/filter.h
index dc5872ce6..1166c0eee 100644
--- a/include/openmc/tallies/filter.h
+++ b/include/openmc/tallies/filter.h
@@ -33,6 +33,7 @@ enum class FilterType {
   MATERIAL,
   MATERIALFROM,
   MESH,
+  MESHBORN,
   MESH_SURFACE,
   MU,
   PARTICLE,
diff --git a/include/openmc/tallies/filter_meshborn.h b/include/openmc/tallies/filter_meshborn.h
new file mode 100644
index 000000000..8ab7a8c76
--- /dev/null
+++ b/include/openmc/tallies/filter_meshborn.h
@@ -0,0 +1,26 @@
+#ifndef OPENMC_TALLIES_FILTER_MESHBORN_H
+#define OPENMC_TALLIES_FILTER_MESHBORN_H
+
+#include <cstdint>
+
+#include "openmc/position.h"
+#include "openmc/tallies/filter_mesh.h"
+
+namespace openmc {
+
+class MeshBornFilter : public MeshFilter {
+public:
+  //----------------------------------------------------------------------------
+  // Methods
+
+  std::string type_str() const override { return "meshborn"; }
+  FilterType type() const override { return FilterType::MESHBORN; }
+
+  void get_all_bins(const Particle& p, TallyEstimator estimator,
+    FilterMatch& match) const override;
+
+  std::string text_label(int bin) const override;
+};
+
+} // namespace openmc
+#endif // OPENMC_TALLIES_FILTER_MESHBORN_H
diff --git a/openmc/filter.py b/openmc/filter.py
index f2bbf2f50..04b30261d 100644
--- a/openmc/filter.py
+++ b/openmc/filter.py
@@ -982,6 +982,34 @@ class MeshFilter(Filter):
         if translation:
             out.translation = [float(x) for x in translation.split()]
         return out
+    
+
+class MeshBornFilter(MeshFilter):
+    """Filter events by the mesh cell a particle originated from.
+
+    Parameters
+    ----------
+    mesh : openmc.MeshBase
+        The mesh object that events will be tallied onto
+    filter_id : int
+        Unique identifier for the filter
+
+    Attributes
+    ----------
+    mesh : openmc.MeshBase
+        The mesh object that events will be tallied onto
+    id : int
+        Unique identifier for the filter
+    translation : Iterable of float
+        This array specifies a vector that is used to translate (shift)
+        the mesh for this filter
+    bins : list of tuple
+        A list of mesh indices for each filter bin, e.g. [(1, 1, 1), (2, 1, 1),
+        ...]
+    num_bins : Integral
+        The number of filter bins
+
+    """
 
 
 class MeshSurfaceFilter(MeshFilter):
diff --git a/openmc/lib/filter.py b/openmc/lib/filter.py
index 7c2e7e5c4..340c2fa34 100644
--- a/openmc/lib/filter.py
+++ b/openmc/lib/filter.py
@@ -20,7 +20,8 @@ __all__ = [
     'Filter', 'AzimuthalFilter', 'CellFilter', 'CellbornFilter', 'CellfromFilter',
     'CellInstanceFilter', 'CollisionFilter', 'DistribcellFilter', 'DelayedGroupFilter',
     'EnergyFilter', 'EnergyoutFilter', 'EnergyFunctionFilter', 'LegendreFilter',
-    'MaterialFilter', 'MaterialFromFilter', 'MeshFilter', 'MeshSurfaceFilter', 'MuFilter', 'ParticleFilter',
+    'MaterialFilter', 'MaterialFromFilter', 'MeshFilter', 'MeshBornFilter',
+    'MeshSurfaceFilter', 'MuFilter', 'ParticleFilter',
     'PolarFilter', 'SphericalHarmonicsFilter', 'SpatialLegendreFilter', 'SurfaceFilter',
     'UniverseFilter', 'ZernikeFilter', 'ZernikeRadialFilter', 'filters'
 ]
@@ -89,18 +90,36 @@ _dll.openmc_mesh_filter_get_mesh.errcheck = _error_handler
 _dll.openmc_mesh_filter_set_mesh.argtypes = [c_int32, c_int32]
 _dll.openmc_mesh_filter_set_mesh.restype = c_int
 _dll.openmc_mesh_filter_set_mesh.errcheck = _error_handler
-_dll.openmc_meshsurface_filter_get_mesh.argtypes = [c_int32, POINTER(c_int32)]
-_dll.openmc_meshsurface_filter_get_mesh.restype = c_int
-_dll.openmc_meshsurface_filter_get_mesh.errcheck = _error_handler
-_dll.openmc_meshsurface_filter_set_mesh.argtypes = [c_int32, c_int32]
-_dll.openmc_meshsurface_filter_set_mesh.restype = c_int
-_dll.openmc_meshsurface_filter_set_mesh.errcheck = _error_handler
 _dll.openmc_mesh_filter_get_translation.argtypes = [c_int32, POINTER(c_double*3)]
 _dll.openmc_mesh_filter_get_translation.restype = c_int
 _dll.openmc_mesh_filter_get_translation.errcheck = _error_handler
 _dll.openmc_mesh_filter_set_translation.argtypes = [c_int32, POINTER(c_double*3)]
 _dll.openmc_mesh_filter_set_translation.restype = c_int
 _dll.openmc_mesh_filter_set_translation.errcheck = _error_handler
+_dll.openmc_meshborn_filter_get_mesh.argtypes = [c_int32, POINTER(c_int32)]
+_dll.openmc_meshborn_filter_get_mesh.restype = c_int
+_dll.openmc_meshborn_filter_get_mesh.errcheck = _error_handler
+_dll.openmc_meshborn_filter_set_mesh.argtypes = [c_int32, c_int32]
+_dll.openmc_meshborn_filter_set_mesh.restype = c_int
+_dll.openmc_meshborn_filter_set_mesh.errcheck = _error_handler
+_dll.openmc_meshborn_filter_get_translation.argtypes = [c_int32, POINTER(c_double*3)]
+_dll.openmc_meshborn_filter_get_translation.restype = c_int
+_dll.openmc_meshborn_filter_get_translation.errcheck = _error_handler
+_dll.openmc_meshborn_filter_set_translation.argtypes = [c_int32, POINTER(c_double*3)]
+_dll.openmc_meshborn_filter_set_translation.restype = c_int
+_dll.openmc_meshborn_filter_set_translation.errcheck = _error_handler
+_dll.openmc_meshsurface_filter_get_mesh.argtypes = [c_int32, POINTER(c_int32)]
+_dll.openmc_meshsurface_filter_get_mesh.restype = c_int
+_dll.openmc_meshsurface_filter_get_mesh.errcheck = _error_handler
+_dll.openmc_meshsurface_filter_set_mesh.argtypes = [c_int32, c_int32]
+_dll.openmc_meshsurface_filter_set_mesh.restype = c_int
+_dll.openmc_meshsurface_filter_set_mesh.errcheck = _error_handler
+_dll.openmc_meshsurface_filter_get_translation.argtypes = [c_int32, POINTER(c_double*3)]
+_dll.openmc_meshsurface_filter_get_translation.restype = c_int
+_dll.openmc_meshsurface_filter_get_translation.errcheck = _error_handler
+_dll.openmc_meshsurface_filter_set_translation.argtypes = [c_int32, POINTER(c_double*3)]
+_dll.openmc_meshsurface_filter_set_translation.restype = c_int
+_dll.openmc_meshsurface_filter_set_translation.errcheck = _error_handler
 _dll.openmc_new_filter.argtypes = [c_char_p, POINTER(c_int32)]
 _dll.openmc_new_filter.restype = c_int
 _dll.openmc_new_filter.errcheck = _error_handler
@@ -347,6 +366,34 @@ class MaterialFromFilter(Filter):
 
 
 class MeshFilter(Filter):
+    """Mesh filter stored internally.
+
+    This class exposes a Mesh filter that is stored internally in the OpenMC
+    library. To obtain a view of a Mesh filter with a given ID, use the
+    :data:`openmc.lib.filters` mapping.
+
+    Parameters
+    ----------
+    mesh : openmc.lib.Mesh
+        Mesh to use for the filter
+    uid : int or None
+        Unique ID of the Mesh filter
+    new : bool
+        When `index` is None, this argument controls whether a new object is
+        created or a view of an existing object is returned.
+    index : int
+        Index in the `filters` array.
+
+    Attributes
+    ----------
+    filter_type : str
+        Type of filter
+    mesh : openmc.lib.Mesh
+        Mesh used for the filter
+    translation : Iterable of float
+        3-D coordinates of the translation vector
+
+    """
     filter_type = 'mesh'
 
     def __init__(self, mesh=None, uid=None, new=True, index=None):
@@ -375,7 +422,92 @@ class MeshFilter(Filter):
         _dll.openmc_mesh_filter_set_translation(self._index, (c_double*3)(*translation))
 
 
+class MeshBornFilter(Filter):
+    """MeshBorn filter stored internally.
+
+    This class exposes a MeshBorn filter that is stored internally in the OpenMC
+    library. To obtain a view of a MeshBorn filter with a given ID, use the
+    :data:`openmc.lib.filters` mapping.
+
+    Parameters
+    ----------
+    mesh : openmc.lib.Mesh
+        Mesh to use for the filter
+    uid : int or None
+        Unique ID of the MeshBorn filter
+    new : bool
+        When `index` is None, this argument controls whether a new object is
+        created or a view of an existing object is returned.
+    index : int
+        Index in the `filters` array.
+
+    Attributes
+    ----------
+    filter_type : str
+        Type of filter
+    mesh : openmc.lib.Mesh
+        Mesh used for the filter
+    translation : Iterable of float
+        3-D coordinates of the translation vector
+
+    """
+    filter_type = 'meshborn'
+
+    def __init__(self, mesh=None, uid=None, new=True, index=None):
+        super().__init__(uid, new, index)
+        if mesh is not None:
+            self.mesh = mesh
+
+    @property
+    def mesh(self):
+        index_mesh = c_int32()
+        _dll.openmc_meshborn_filter_get_mesh(self._index, index_mesh)
+        return _get_mesh(index_mesh.value)
+
+    @mesh.setter
+    def mesh(self, mesh):
+        _dll.openmc_meshborn_filter_set_mesh(self._index, mesh._index)
+
+    @property
+    def translation(self):
+        translation = (c_double*3)()
+        _dll.openmc_meshborn_filter_get_translation(self._index, translation)
+        return tuple(translation)
+
+    @translation.setter
+    def translation(self, translation):
+        _dll.openmc_meshborn_filter_set_translation(self._index, (c_double*3)(*translation))
+
+
 class MeshSurfaceFilter(Filter):
+    """MeshSurface filter stored internally.
+
+    This class exposes a MeshSurface filter that is stored internally in the
+    OpenMC library. To obtain a view of a MeshSurface filter with a given ID,
+    use the :data:`openmc.lib.filters` mapping.
+
+    Parameters
+    ----------
+    mesh : openmc.lib.Mesh
+        Mesh to use for the filter
+    uid : int or None
+        Unique ID of the MeshSurface filter
+    new : bool
+        When `index` is None, this argument controls whether a new object is
+        created or a view of an existing object is returned.
+    index : int
+        Index in the `filters` array.
+
+    Attributes
+    ----------
+    filter_type : str
+        Type of filter
+    mesh : openmc.lib.Mesh
+        Mesh used for the filter
+    translation : Iterable of float
+        3-D coordinates of the translation vector
+
+    """
     filter_type = 'meshsurface'
 
     def __init__(self, mesh=None, uid=None, new=True, index=None):
@@ -396,12 +528,12 @@ class MeshSurfaceFilter(Filter):
     @property
     def translation(self):
         translation = (c_double*3)()
-        _dll.openmc_mesh_filter_get_translation(self._index, translation)
+        _dll.openmc_meshsurface_filter_get_translation(self._index, translation)
         return tuple(translation)
 
     @translation.setter
     def translation(self, translation):
-        _dll.openmc_mesh_filter_set_translation(self._index, (c_double*3)(*translation))
+        _dll.openmc_meshsurface_filter_set_translation(self._index, (c_double*3)(*translation))
 
 
 class MuFilter(Filter):
@@ -507,6 +639,7 @@ _FILTER_TYPE_MAP = {
     'material': MaterialFilter,
     'materialfrom': MaterialFromFilter,
     'mesh': MeshFilter,
+    'meshborn': MeshBornFilter,
     'meshsurface': MeshSurfaceFilter,
     'mu': MuFilter,
     'particle': ParticleFilter,
diff --git a/src/particle.cpp b/src/particle.cpp
index 549de5cff..c2e340201 100644
--- a/src/particle.cpp
+++ b/src/particle.cpp
@@ -121,6 +121,7 @@ void Particle::from_source(const SourceSite* src)
   wgt_last() = src->wgt;
   r() = src->r;
   u() = src->u;
+  r_born() = src->r;
   r_last_current() = src->r;
   r_last() = src->r;
   u_last() = src->u;
diff --git a/src/tallies/filter.cpp b/src/tallies/filter.cpp
index 5fae4cf60..ff7a3416b 100644
--- a/src/tallies/filter.cpp
+++ b/src/tallies/filter.cpp
@@ -23,6 +23,7 @@
 #include "openmc/tallies/filter_material.h"
 #include "openmc/tallies/filter_materialfrom.h"
 #include "openmc/tallies/filter_mesh.h"
+#include "openmc/tallies/filter_meshborn.h"
 #include "openmc/tallies/filter_meshsurface.h"
 #include "openmc/tallies/filter_mu.h"
 #include "openmc/tallies/filter_particle.h"
@@ -126,6 +127,8 @@ Filter* Filter::create(const std::string& type, int32_t id)
     return Filter::create<MaterialFromFilter>(id);
   } else if (type == "mesh") {
     return Filter::create<MeshFilter>(id);
+  } else if (type == "meshborn") {
+    return Filter::create<MeshBornFilter>(id);
   } else if (type == "meshsurface") {
     return Filter::create<MeshSurfaceFilter>(id);
   } else if (type == "mu") {
diff --git a/src/tallies/filter_mesh.cpp b/src/tallies/filter_mesh.cpp
index ed9c71667..5b01da1f6 100644
--- a/src/tallies/filter_mesh.cpp
+++ b/src/tallies/filter_mesh.cpp
@@ -161,6 +161,7 @@ extern "C" int openmc_mesh_filter_get_translation(
   // Check the filter type
   const auto& filter = model::tally_filters[index];
   if (filter->type() != FilterType::MESH &&
+      filter->type() != FilterType::MESHBORN &&
       filter->type() != FilterType::MESH_SURFACE) {
     set_errmsg("Tried to get a translation from a non-mesh-based filter.");
     return OPENMC_E_INVALID_TYPE;
@@ -186,6 +187,7 @@ extern "C" int openmc_mesh_filter_set_translation(
   const auto& filter = model::tally_filters[index];
   // Check the filter type
   if (filter->type() != FilterType::MESH &&
+      filter->type() != FilterType::MESHBORN &&
       filter->type() != FilterType::MESH_SURFACE) {
     set_errmsg("Tried to set mesh on a non-mesh-based filter.");
     return OPENMC_E_INVALID_TYPE;
diff --git a/src/tallies/filter_meshborn.cpp b/src/tallies/filter_meshborn.cpp
new file mode 100644
index 000000000..c95dc3dc7
--- /dev/null
+++ b/src/tallies/filter_meshborn.cpp
@@ -0,0 +1,61 @@
+#include "openmc/tallies/filter_meshborn.h"
+
+#include "openmc/capi.h"
+#include "openmc/constants.h"
+#include "openmc/error.h"
+#include "openmc/mesh.h"
+
+namespace openmc {
+
+void MeshBornFilter::get_all_bins(
+  const Particle& p, TallyEstimator estimator, FilterMatch& match) const
+{
+  Position r_born = p.r_born();
+
+  // apply translation if present
+  if (translated_) {
+    r_born -= translation();
+  }
+
+  auto bin = model::meshes[mesh_]->get_bin(r_born);
+  if (bin >= 0) {
+    match.bins_.push_back(bin);
+    match.weights_.push_back(1.0);
+  }
+}
+
+std::string MeshBornFilter::text_label(int bin) const
+{
+  auto& mesh = *model::meshes.at(mesh_);
+  return mesh.bin_label(bin) + " (born)";
+}
+
+//==============================================================================
+// C-API functions
+//==============================================================================
+
+extern "C" int openmc_meshborn_filter_get_mesh(
+  int32_t index, int32_t* index_mesh)
+{
+  return openmc_mesh_filter_get_mesh(index, index_mesh);
+}
+
+extern "C" int openmc_meshborn_filter_set_mesh(
+  int32_t index, int32_t index_mesh)
+{
+  return openmc_mesh_filter_set_mesh(index, index_mesh);
+}
+
+extern "C" int openmc_meshborn_filter_get_translation(
+  int32_t index, double translation[3])
+{
+  return openmc_mesh_filter_get_translation(index, translation);
+}
+
+extern "C" int openmc_meshborn_filter_set_translation(
+  int32_t index, double translation[3])
+{
+  return openmc_mesh_filter_set_translation(index, translation);
+}
+
+} // namespace openmc
diff --git a/src/tallies/filter_meshsurface.cpp b/src/tallies/filter_meshsurface.cpp
index b22085ebb..b26cd198b 100644
--- a/src/tallies/filter_meshsurface.cpp
+++ b/src/tallies/filter_meshsurface.cpp
@@ -100,4 +100,16 @@ extern "C" int openmc_meshsurface_filter_set_mesh(
   return openmc_mesh_filter_set_mesh(index, index_mesh);
 }
 
+extern "C" int openmc_meshsurface_filter_get_translation(
+  int32_t index, double translation[3])
+{
+  return openmc_mesh_filter_get_translation(index, translation);
+}
+
+extern "C" int openmc_meshsurface_filter_set_translation(
+  int32_t index, double translation[3])
+{
+  return openmc_mesh_filter_set_translation(index, translation);
+}
+
 } // namespace openmc
diff --git a/src/tallies/tally.cpp b/src/tallies/tally.cpp
index 7fd444a58..df1ec5ea7 100644
--- a/src/tallies/tally.cpp
+++ b/src/tallies/tally.cpp
@@ -26,6 +26,7 @@
 #include "openmc/tallies/filter_energy.h"
 #include "openmc/tallies/filter_legendre.h"
 #include "openmc/tallies/filter_mesh.h"
+#include "openmc/tallies/filter_meshborn.h"
 #include "openmc/tallies/filter_meshsurface.h"
 #include "openmc/tallies/filter_particle.h"
 #include "openmc/tallies/filter_sph_harm.h"
diff --git a/tests/regression_tests/filter_meshborn/__init__.py b/tests/regression_tests/filter_meshborn/__init__.py
new file mode 100644
index 000000000..e69de29bb
diff --git a/tests/regression_tests/filter_meshborn/inputs_true.dat b/tests/regression_tests/filter_meshborn/inputs_true.dat
new file mode 100644
index 000000000..3ba38d56e
--- /dev/null
+++ b/tests/regression_tests/filter_meshborn/inputs_true.dat
@@ -0,0 +1,51 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material id="1">
+      <density units="g/cm3" value="1.0"/>
+      <nuclide ao="1.0" name="H1"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="-1" universe="1"/>
+    <surface boundary="reflective" coeffs="0.0 0.0 0.0 10.0" id="1" type="sphere"/>
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>2000</particles>
+    <batches>8</batches>
+    <source particle="neutron" strength="1.0" type="independent">
+      <space type="box">
+        <parameters>0.0 -10.0 -10.0 10.0 10.0 10.0</parameters>
+      </space>
+    </source>
+  </settings>
+  <tallies>
+    <mesh id="1">
+      <dimension>2 2 1</dimension>
+      <lower_left>-10.0 -10.0 -10.0</lower_left>
+      <upper_right>10.0 10.0 10.0</upper_right>
+    </mesh>
+    <filter id="1" type="mesh">
+      <bins>1</bins>
+    </filter>
+    <filter id="2" type="meshborn">
+      <bins>1</bins>
+    </filter>
+    <tally id="1" name="scatter">
+      <filters>1 2</filters>
+      <scores>scatter</scores>
+    </tally>
+    <tally id="2" name="scatter-mesh">
+      <filters>1</filters>
+      <scores>scatter</scores>
+    </tally>
+    <tally id="3" name="scatter-meshborn">
+      <filters>2</filters>
+      <scores>scatter</scores>
+    </tally>
+    <tally id="4" name="scatter-total">
+      <scores>scatter</scores>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/filter_meshborn/results_true.dat b/tests/regression_tests/filter_meshborn/results_true.dat
new file mode 100644
index 000000000..62f2707ff
--- /dev/null
+++ b/tests/regression_tests/filter_meshborn/results_true.dat
@@ -0,0 +1,54 @@
+tally 1:
+0.000000E+00
+0.000000E+00
+2.631246E+01
+8.845079E+01
+0.000000E+00
+0.000000E+00
+2.450265E+00
+9.462266E-01
+0.000000E+00
+0.000000E+00
+3.878380E+02
+1.881752E+04
+0.000000E+00
+0.000000E+00
+2.932956E+01
+1.091674E+02
+0.000000E+00
+0.000000E+00
+1.837753E+00
+5.195343E-01
+0.000000E+00
+0.000000E+00
+2.944919E+01
+1.095819E+02
+0.000000E+00
+0.000000E+00
+2.921731E+01
+1.097387E+02
+0.000000E+00
+0.000000E+00
+4.019442E+02
+2.021184E+04
+tally 2:
+2.876273E+01
+1.060244E+02
+4.171676E+02
+2.176683E+04
+3.128695E+01
+1.238772E+02
+4.311615E+02
+2.325871E+04
+tally 3:
+0.000000E+00
+0.000000E+00
+4.452055E+02
+2.478148E+04
+0.000000E+00
+0.000000E+00
+4.631732E+02
+2.683862E+04
+tally 4:
+9.083787E+02
+1.031695E+05
diff --git a/tests/regression_tests/filter_meshborn/test.py b/tests/regression_tests/filter_meshborn/test.py
new file mode 100644
index 000000000..ff4adbc9f
--- /dev/null
+++ b/tests/regression_tests/filter_meshborn/test.py
@@ -0,0 +1,107 @@
+"""Test the meshborn filter using a fixed source calculation on a H1 sphere.
+
+"""
+
+from numpy.testing import assert_allclose
+import numpy as np
+import openmc
+import pytest
+
+from tests.testing_harness import PyAPITestHarness
+
+
+RTOL = 1.0e-7
+ATOL = 0.0
+
+
+@pytest.fixture
+def model():
+    """Sphere of H1 with one hemisphere containing the source (x>0) and one
+    hemisphere with no source (x<0).
+
+    """
+    openmc.reset_auto_ids()
+    model = openmc.Model()
+
+    # Materials
+    h1 = openmc.Material()
+    h1.add_nuclide("H1", 1.0)
+    h1.set_density("g/cm3", 1.0)
+    model.materials = openmc.Materials([h1])
+
+    # Core geometry
+    r = 10.0
+    sphere = openmc.Sphere(r=r, boundary_type="reflective")
+    core = openmc.Cell(fill=h1, region=-sphere)
+    model.geometry = openmc.Geometry([core])
+
+    # Settings
+    model.settings.run_mode = 'fixed source'
+    model.settings.particles = 2000
+    model.settings.batches = 8
+    distribution = openmc.stats.Box((0., -r, -r), (r, r, r))
+    model.settings.source = openmc.IndependentSource(space=distribution)
+
+    # Tallies
+    mesh = openmc.RegularMesh()
+    mesh.dimension = (2, 2, 1)
+    mesh.lower_left = (-r, -r, -r)
+    mesh.upper_right = (r, r, r)
+
+    f_1 = openmc.MeshFilter(mesh)
+    f_2 = openmc.MeshBornFilter(mesh)
+
+    t_1 = openmc.Tally(name="scatter")
+    t_1.filters = [f_1, f_2]
+    t_1.scores = ["scatter"]
+
+    t_2 = openmc.Tally(name="scatter-mesh")
+    t_2.filters = [f_1]
+    t_2.scores = ["scatter"]
+
+    t_3 = openmc.Tally(name="scatter-meshborn")
+    t_3.filters = [f_2]
+    t_3.scores = ["scatter"]
+
+    t_4 = openmc.Tally(name="scatter-total")
+    t_4.scores = ["scatter"]
+
+    model.tallies = [t_1, t_2, t_3, t_4]
+
+    return model
+
+
+class MeshBornFilterTest(PyAPITestHarness):
+
+    def _compare_results(self):
+        """Additional unit tests on the tally results to check consistency."""
+        with openmc.StatePoint(self.statepoint_name) as sp:
+
+            t1 = sp.get_tally(name="scatter").mean.reshape(4, 4)
+            t2 = sp.get_tally(name="scatter-mesh").mean.reshape(4)
+            t3 = sp.get_tally(name="scatter-meshborn").mean.reshape(4)
+            t4 = sp.get_tally(name="scatter-total").mean.reshape(1)
+
+            # Consistency between mesh+meshborn matrix tally and meshborn tally
+            for i in range(4):
+                assert_allclose(t1[:, i].sum(), t3[i], rtol=RTOL, atol=ATOL)
+
+            # Consistency between mesh+meshborn matrix tally and mesh tally
+            for i in range(4):
+                assert_allclose(t1[i, :].sum(), t2[i], rtol=RTOL, atol=ATOL)
+
+            # Mesh cells in x<0 do not contribute to meshborn
+            assert_allclose(t1[:, 0].sum(), np.zeros(4), rtol=RTOL, atol=ATOL)
+            assert_allclose(t1[:, 2].sum(), np.zeros(4), rtol=RTOL, atol=ATOL)
+
+            # Consistency with total scattering
+            assert_allclose(t1.sum(), t4, rtol=RTOL, atol=ATOL)
+            assert_allclose(t2.sum(), t4, rtol=RTOL, atol=ATOL)
+            assert_allclose(t3.sum(), t4, rtol=RTOL, atol=ATOL)
+
+        super()._compare_results()
+
+
+def test_filter_meshborn(model):
+    harness = MeshBornFilterTest("statepoint.8.h5", model)
+    harness.main()
diff --git a/tests/unit_tests/test_filter_meshborn.py b/tests/unit_tests/test_filter_meshborn.py
new file mode 100644
index 000000000..62fa1174e
--- /dev/null
+++ b/tests/unit_tests/test_filter_meshborn.py
@@ -0,0 +1,116 @@
+"""Test the meshborn filter using a fixed source calculation on a H1 sphere.
+
+"""
+
+import numpy as np
+from uncertainties import unumpy
+import openmc
+import pytest
+
+
+@pytest.fixture
+def model():
+    """Sphere of H1 with one hemisphere containing the source (x>0) and one
+    hemisphere with no source (x<0).
+
+    """
+    openmc.reset_auto_ids()
+    model = openmc.Model()
+
+    # Materials
+    h1 = openmc.Material()
+    h1.add_nuclide("H1", 1.0)
+    h1.set_density("g/cm3", 1.0)
+    model.materials = openmc.Materials([h1])
+
+    # Core geometry
+    r = 10.0
+    sphere = openmc.Sphere(r=r, boundary_type="reflective")
+    core = openmc.Cell(fill=h1, region=-sphere)
+    model.geometry = openmc.Geometry([core])
+
+    # Settings
+    model.settings.run_mode = 'fixed source'
+    model.settings.particles = 2000
+    model.settings.batches = 8
+
+    distribution = openmc.stats.Box((0., -r, -r), (r, r, r))
+    model.settings.source = openmc.IndependentSource(space=distribution)
+
+    # =============================================================================
+    # Tallies
+    # =============================================================================
+
+    mesh = openmc.RegularMesh()
+    mesh.dimension = (2, 2, 1)
+    mesh.lower_left = (-r, -r, -r)
+    mesh.upper_right = (r, r, r)
+
+    f = openmc.MeshBornFilter(mesh)
+    t_1 = openmc.Tally(name="scatter-collision")
+    t_1.filters = [f]
+    t_1.scores = ["scatter"]
+    t_1.estimator = "collision"
+
+    t_2 = openmc.Tally(name="scatter-tracklength")
+    t_2.filters = [f]
+    t_2.scores = ["scatter"]
+    t_2.estimator = "tracklength"
+
+    model.tallies = [t_1, t_2]
+
+    return model
+
+
+def test_estimator_consistency(model, run_in_tmpdir):
+    """Test that resuts obtained from a tracklength estimator are
+    consistent with results obtained from a collision estimator.
+
+    """
+    # Run OpenMC
+    sp_filename = model.run()
+
+    # Get radial flux distribution
+    with openmc.StatePoint(sp_filename) as sp:
+        scatter_collision = sp.get_tally(name="scatter-collision").mean.ravel()
+        scatter_collision_std_dev = sp.get_tally(name="scatter-collision").std_dev.ravel()
+        scatter_tracklength = sp.get_tally(name="scatter-tracklength").mean.ravel()
+        scatter_tracklength_std_dev = sp.get_tally(name="scatter-tracklength").std_dev.ravel()
+
+    collision = unumpy.uarray(scatter_collision, scatter_collision_std_dev)
+    tracklength = unumpy.uarray(scatter_tracklength, scatter_tracklength_std_dev)
+    delta = abs(collision - tracklength)
+
+    diff = unumpy.nominal_values(delta)
+    std_dev = unumpy.std_devs(delta)
+    assert np.all(diff <= 3 * std_dev)
+
+
+def test_xml_serialization():
+    """Test xml serialization of the meshborn filter."""
+    openmc.reset_auto_ids()
+
+    mesh = openmc.RegularMesh()
+    mesh.dimension = (1, 1, 1)
+    mesh.lower_left = (0.0, 0.0, 0.0)
+    mesh.upper_right = (1.0, 1.0, 1.0)
+
+    filter = openmc.MeshBornFilter(mesh)
+    filter.translation = (2.0, 2.0, 2.0)
+    assert filter.mesh.id == 1
+    assert filter.mesh.dimension == (1, 1, 1)
+    assert filter.mesh.lower_left == (0.0, 0.0, 0.0)
+    assert filter.mesh.upper_right == (1.0, 1.0, 1.0)
+
+    repr(filter)
+
+    elem = filter.to_xml_element()
+    assert elem.tag == 'filter'
+    assert elem.attrib['type'] == 'meshborn'
+    assert elem[0].text == "1"
+    assert elem.get("translation") == "2.0 2.0 2.0"
+
+    meshes = {1: mesh}
+    new_filter = openmc.Filter.from_xml_element(elem, meshes=meshes)
+    assert new_filter.bins == filter.bins
+    np.testing.assert_equal(new_filter.translation, [2.0, 2.0, 2.0])
diff --git a/tests/unit_tests/test_tallies.py b/tests/unit_tests/test_tallies.py
index 14319a0a2..544443312 100644
--- a/tests/unit_tests/test_tallies.py
+++ b/tests/unit_tests/test_tallies.py
@@ -10,8 +10,9 @@ def test_xml_roundtrip(run_in_tmpdir):
     mesh.upper_right = (10., 10., 10.,)
     mesh.dimension = (5, 5, 5)
     mesh_filter = openmc.MeshFilter(mesh)
+    meshborn_filter = openmc.MeshBornFilter(mesh)
     tally = openmc.Tally()
-    tally.filters = [mesh_filter]
+    tally.filters = [mesh_filter, meshborn_filter]
     tally.nuclides = ['U235', 'I135', 'Li6']
     tally.scores = ['total', 'fission', 'heating']
     tally.derivative = openmc.TallyDerivative(
@@ -27,9 +28,11 @@ def test_xml_roundtrip(run_in_tmpdir):
     assert len(new_tallies) == 1
     new_tally = new_tallies[0]
     assert new_tally.id == tally.id
-    assert len(new_tally.filters) == 1
+    assert len(new_tally.filters) == 2
     assert isinstance(new_tally.filters[0], openmc.MeshFilter)
     assert np.allclose(new_tally.filters[0].mesh.lower_left, mesh.lower_left)
+    assert isinstance(new_tally.filters[1], openmc.MeshBornFilter)
+    assert np.allclose(new_tally.filters[1].mesh.lower_left, mesh.lower_left)
     assert new_tally.nuclides == tally.nuclides
     assert new_tally.scores == tally.scores
     assert new_tally.derivative.variable == tally.derivative.variable

From 0aad22d54158271cd33a3c245936d7164a17e2f6 Mon Sep 17 00:00:00 2001
From: Ethan Peterson <ethan.peterson@mit.edu>
Date: Fri, 5 Apr 2024 02:35:15 -0400
Subject: [PATCH 2050/2654] Allow get_microxs_and_flux to use OPENMC_CHAIN_FILE
 environment variable (#2934)

---
 openmc/deplete/microxs.py | 3 +--
 1 file changed, 1 insertion(+), 2 deletions(-)

diff --git a/openmc/deplete/microxs.py b/openmc/deplete/microxs.py
index 0721535ca..c1c4cb7ac 100644
--- a/openmc/deplete/microxs.py
+++ b/openmc/deplete/microxs.py
@@ -27,10 +27,9 @@ _valid_rxns.append('fission')
 
 
 def _resolve_chain_file_path(chain_file: str):
-    # Determine what reactions and nuclides are available in chain
     if chain_file is None:
         chain_file = openmc.config.get('chain_file')
-        if 'chain_file' in openmc.config:
+        if 'chain_file' not in openmc.config:
             raise DataError(
                 "No depletion chain specified and could not find depletion "
                 "chain in openmc.config['chain_file']"

From 27bd315f0f2eb61b447603514bd790cc04309a91 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Fri, 5 Apr 2024 10:37:46 +0100
Subject: [PATCH 2051/2654] changing y axis label for heating plots (#2859)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/plotter.py                | 35 ++++++++++++++++++++++----------
 tests/unit_tests/test_plotter.py | 15 ++++++++++++++
 2 files changed, 39 insertions(+), 11 deletions(-)

diff --git a/openmc/plotter.py b/openmc/plotter.py
index 849672fce..97ca5f929 100644
--- a/openmc/plotter.py
+++ b/openmc/plotter.py
@@ -73,24 +73,37 @@ def _get_legend_label(this, type):
 def _get_yaxis_label(reactions, divisor_types):
     """Gets a y axis label for the type of data plotted"""
 
-    if all(isinstance(item, str) for item in reactions.keys()):
-        stem = 'Microscopic'
-        if divisor_types:
-            mid, units = 'Data', ''
-        else:
-            mid, units = 'Cross Section', '[b]'
+    heat_values = {"heating", "heating-local", "damage-energy"}
+
+    # if all the types are heating a different stem and unit is needed
+    if all(set(value).issubset(heat_values) for value in reactions.values()):
+        stem = "Heating"
+    elif all(isinstance(item, str) for item in reactions.keys()):
+        for nuc_reactions in reactions.values():
+            for reaction in nuc_reactions:
+                if reaction in heat_values:
+                    raise TypeError(
+                        "Mixture of heating and Microscopic reactions. "
+                        "Invalid type for plotting"
+                    )
+        stem = "Microscopic"
     elif all(isinstance(item, openmc.Material) for item in reactions.keys()):
         stem = 'Macroscopic'
-        if divisor_types:
-            mid, units = 'Data', ''
-        else:
-            mid, units = 'Cross Section', '[1/cm]'
     else:
         msg = "Mixture of openmc.Material and elements/nuclides. Invalid type for plotting"
         raise TypeError(msg)
 
-    return f'{stem} {mid} {units}'
+    if divisor_types:
+        mid, units = "Data", ""
+    else:
+        mid = "Cross Section"
+        units = {
+            "Macroscopic": "[1/cm]",
+            "Microscopic": "[b]",
+            "Heating": "[eV-barn]",
+        }[stem]
 
+    return f'{stem} {mid} {units}'
 
 def _get_title(reactions):
     """Gets a title for the type of data plotted"""
diff --git a/tests/unit_tests/test_plotter.py b/tests/unit_tests/test_plotter.py
index fd635d89d..2c195c5e1 100644
--- a/tests/unit_tests/test_plotter.py
+++ b/tests/unit_tests/test_plotter.py
@@ -118,6 +118,21 @@ def test_plot_axes_labels():
     )
     assert axis_label == 'Microscopic Cross Section [b]'
 
+    axis_label = openmc.plotter._get_yaxis_label(
+        reactions={
+            "Li": ["heating", "heating-local"],
+            "Li7": ["heating"],
+            "Be": ["damage-energy"],
+        },
+        divisor_types=False,
+    )
+    assert axis_label == "Heating Cross Section [eV-barn]"
+
+    with pytest.raises(TypeError):
+        axis_label = openmc.plotter.plot_xs(
+            reactions={"Li": ["heating", "heating-local"], "Be9": ["(n,2n)"]}
+        )
+
     # just materials
     mat1 = openmc.Material()
     mat1.add_nuclide('Fe56', 1)

From 704cfbf1afb11a03d4dc6223d737e40680b49f39 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Sun, 7 Apr 2024 16:27:51 +0100
Subject: [PATCH 2052/2654] Updating docker file base to bookworm (#2890)

---
 Dockerfile | 8 ++++++--
 1 file changed, 6 insertions(+), 2 deletions(-)

diff --git a/Dockerfile b/Dockerfile
index fa223bd22..0b4742ada 100644
--- a/Dockerfile
+++ b/Dockerfile
@@ -24,7 +24,7 @@ ARG compile_cores=1
 ARG build_dagmc=off
 ARG build_libmesh=off
 
-FROM debian:bullseye-slim AS dependencies
+FROM debian:bookworm-slim AS dependencies
 
 ARG compile_cores
 ARG build_dagmc
@@ -71,9 +71,13 @@ RUN apt-get update -y && \
     apt-get install -y \
         python3-pip python-is-python3 wget git build-essential cmake \
         mpich libmpich-dev libhdf5-serial-dev libhdf5-mpich-dev \
-        libpng-dev && \
+        libpng-dev python3-venv && \
     apt-get autoremove
 
+# create virtual enviroment to avoid externally managed environment error
+RUN python3 -m venv openmc_venv
+ENV PATH=/openmc_venv/bin:$PATH
+
 # Update system-provided pip
 RUN pip install --upgrade pip
 

From db3b6f3e9ef30af313c372b48915ab7e301e9ab0 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Sun, 7 Apr 2024 17:50:44 +0100
Subject: [PATCH 2053/2654] added missing functions and classes to openmc.lib
 docs (#2847)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 docs/source/pythonapi/capi.rst | 76 ++++++++++++++++++++++++++++++++--
 openmc/arithmetic.py           | 12 +++---
 openmc/lib/mesh.py             |  6 ++-
 3 files changed, 84 insertions(+), 10 deletions(-)

diff --git a/docs/source/pythonapi/capi.rst b/docs/source/pythonapi/capi.rst
index 16bb68ca4..313543199 100644
--- a/docs/source/pythonapi/capi.rst
+++ b/docs/source/pythonapi/capi.rst
@@ -16,7 +16,6 @@ Functions
    current_batch
    export_properties
    export_weight_windows
-   import_weight_windows
    finalize
    find_cell
    find_material
@@ -25,6 +24,7 @@ Functions
    hard_reset
    id_map
    import_properties
+   import_weight_windows
    init
    is_statepoint_batch
    iter_batches
@@ -40,8 +40,8 @@ Functions
    run
    run_in_memory
    sample_external_source
-   simulation_init
    simulation_finalize
+   simulation_init
    source_bank
    statepoint_write
 
@@ -53,16 +53,86 @@ Classes
    :nosignatures:
    :template: myclass.rst
 
+   AzimuthalFilter
    Cell
+   CellFilter
+   CellInstanceFilter
+   CellbornFilter
+   CellfromFilter
+   CollisionFilter
    CylindricalMesh
+   DelayedGroupFilter
+   DistribcellFilter
    EnergyFilter
-   MaterialFilter
+   EnergyFunctionFilter
+   EnergyoutFilter
+   Filter
+   LegendreFilter
    Material
+   MaterialFilter
+   MaterialFromFilter
+   Mesh
    MeshFilter
    MeshBornFilter
    MeshSurfaceFilter
+   MuFilter
    Nuclide
+   ParticleFilter
+   PolarFilter
    RectilinearMesh
    RegularMesh
+   SpatialLegendreFilter
+   SphericalHarmonicsFilter
    SphericalMesh
+   SurfaceFilter
    Tally
+   UniverseFilter
+   UnstructuredMesh
+   WeightWindows
+   ZernikeFilter
+   ZernikeRadialFilter
+
+Data
+----
+
+.. data:: cells
+
+   Mapping of cell ID to :class:`openmc.lib.Cell` instances.
+
+   :type: dict
+
+.. data:: filters
+
+   Mapping of filter ID to :class:`openmc.lib.Filter` instances.
+
+   :type: dict
+
+.. data:: materials
+
+   Mapping of material ID to :class:`openmc.lib.Material` instances.
+
+   :type: dict
+
+.. data:: meshes
+
+   Mapping of mesh ID to :class:`openmc.lib.Mesh` instances.
+
+   :type: dict
+
+.. data:: nuclides
+
+   Mapping of nuclide name to :class:`openmc.lib.Nuclide` instances.
+
+   :type: dict
+
+.. data:: tallies
+
+   Mapping of tally ID to :class:`openmc.lib.Tally` instances.
+
+   :type: dict
+
+.. data:: weight_windows
+
+   Mapping of weight window ID to :class:`openmc.lib.WeightWindows` instances.
+
+   :type: dict
diff --git a/openmc/arithmetic.py b/openmc/arithmetic.py
index 5ca7cc666..c66efe5b8 100644
--- a/openmc/arithmetic.py
+++ b/openmc/arithmetic.py
@@ -188,9 +188,9 @@ class CrossFilter:
 
     Parameters
     ----------
-    left_filter : Filter or CrossFilter
+    left_filter : openmc.Filter or CrossFilter
         The left filter in the outer product
-    right_filter : Filter or CrossFilter
+    right_filter : openmc.Filter or CrossFilter
         The right filter in the outer product
     binary_op : str
         The tally arithmetic binary operator (e.g., '+', '-', etc.) used to
@@ -200,9 +200,9 @@ class CrossFilter:
     ----------
     type : str
         The type of the crossfilter (e.g., 'energy / energy')
-    left_filter : Filter or CrossFilter
+    left_filter : openmc.Filter or CrossFilter
         The left filter in the outer product
-    right_filter : Filter or CrossFilter
+    right_filter : openmc.Filter or CrossFilter
         The right filter in the outer product
     binary_op : str
         The tally arithmetic binary operator (e.g., '+', '-', etc.) used to
@@ -517,7 +517,7 @@ class AggregateFilter:
 
     Parameters
     ----------
-    aggregate_filter : Filter or CrossFilter
+    aggregate_filter : openmc.Filter or CrossFilter
         The filter included in the aggregation
     bins : Iterable of tuple
         The filter bins included in the aggregation
@@ -529,7 +529,7 @@ class AggregateFilter:
     ----------
     type : str
         The type of the aggregatefilter (e.g., 'sum(energy)', 'sum(cell)')
-    aggregate_filter : filter
+    aggregate_filter : openmc.Filter
         The filter included in the aggregation
     aggregate_op : str
         The tally aggregation operator (e.g., 'sum', 'avg', etc.) used
diff --git a/openmc/lib/mesh.py b/openmc/lib/mesh.py
index 7f17dd81f..4da7baba7 100644
--- a/openmc/lib/mesh.py
+++ b/openmc/lib/mesh.py
@@ -15,7 +15,10 @@ from .error import _error_handler
 from .material import Material
 from .plot import _Position
 
-__all__ = ['RegularMesh', 'RectilinearMesh', 'CylindricalMesh', 'SphericalMesh', 'UnstructuredMesh', 'meshes']
+__all__ = [
+    'Mesh', 'RegularMesh', 'RectilinearMesh', 'CylindricalMesh',
+    'SphericalMesh', 'UnstructuredMesh', 'meshes'
+]
 
 
 class _MaterialVolume(Structure):
@@ -553,6 +556,7 @@ class CylindricalMesh(Mesh):
         _dll.openmc_cylindrical_mesh_set_grid(self._index, r_grid, nr, phi_grid,
                                               nphi, z_grid, nz)
 
+
 class SphericalMesh(Mesh):
     """SphericalMesh stored internally.
 

From c85ba93040433ee2d4be7f17d37d0831da14d2f0 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Mon, 8 Apr 2024 05:46:59 -0500
Subject: [PATCH 2054/2654] Fix distribcell labels for lattices used as fill in
 multiple cells (#2813)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 src/geometry_aux.cpp                   |  8 ++++----
 src/tallies/filter_distribcell.cpp     |  3 ++-
 tests/unit_tests/test_cell_instance.py | 19 +++++++++++++++++++
 3 files changed, 25 insertions(+), 5 deletions(-)

diff --git a/src/geometry_aux.cpp b/src/geometry_aux.cpp
index b0e88e8e3..10b239be8 100644
--- a/src/geometry_aux.cpp
+++ b/src/geometry_aux.cpp
@@ -539,7 +539,7 @@ std::string distribcell_path_inner(int32_t target_cell, int32_t map,
 
       // The desired cell is the first cell that gives an offset smaller or
       // equal to the target offset.
-      if (temp_offset <= target_offset)
+      if (temp_offset <= target_offset - c.offset_[map])
         break;
     }
   }
@@ -570,11 +570,11 @@ std::string distribcell_path_inner(int32_t target_cell, int32_t map,
     for (ReverseLatticeIter it = lat.rbegin(); it != lat.rend(); ++it) {
       int32_t indx = lat.universes_.size() * map + it.indx_;
       int32_t temp_offset = offset + lat.offsets_[indx];
-      if (temp_offset <= target_offset) {
+      if (temp_offset <= target_offset - c.offset_[map]) {
         offset = temp_offset;
         path << "(" << lat.index_to_string(it.indx_) << ")->";
-        path << distribcell_path_inner(
-          target_cell, map, target_offset, *model::universes[*it], offset);
+        path << distribcell_path_inner(target_cell, map, target_offset,
+          *model::universes[*it], offset + c.offset_[map]);
         return path.str();
       }
     }
diff --git a/src/tallies/filter_distribcell.cpp b/src/tallies/filter_distribcell.cpp
index 89349b61f..c754dbd44 100644
--- a/src/tallies/filter_distribcell.cpp
+++ b/src/tallies/filter_distribcell.cpp
@@ -48,7 +48,8 @@ void DistribcellFilter::get_all_bins(
       auto& lat {*model::lattices[p.coord(i + 1).lattice]};
       const auto& i_xyz {p.coord(i + 1).lattice_i};
       if (lat.are_valid_indices(i_xyz)) {
-        offset += lat.offset(distribcell_index, i_xyz);
+        offset +=
+          lat.offset(distribcell_index, i_xyz) + c.offset_[distribcell_index];
       }
     }
     if (cell_ == p.coord(i).cell) {
diff --git a/tests/unit_tests/test_cell_instance.py b/tests/unit_tests/test_cell_instance.py
index 00424f9c5..25c20cfef 100644
--- a/tests/unit_tests/test_cell_instance.py
+++ b/tests/unit_tests/test_cell_instance.py
@@ -9,6 +9,7 @@ from tests import cdtemp
 
 @pytest.fixture(scope='module', autouse=True)
 def double_lattice_model():
+    openmc.reset_auto_ids()
     model = openmc.Model()
 
     # Create a single material
@@ -39,6 +40,18 @@ def double_lattice_model():
     cell_with_lattice2.translation = (2., 0., 0.)
     model.geometry = openmc.Geometry([cell_with_lattice1, cell_with_lattice2])
 
+    tally = openmc.Tally()
+    tally.filters = [openmc.DistribcellFilter(c)]
+    tally.scores = ['flux']
+    model.tallies = [tally]
+
+    # Add box source that covers the model space well
+    bbox = model.geometry.bounding_box
+    bbox[0][2] = -0.5
+    bbox[1][2] = 0.5
+    space = openmc.stats.Box(*bbox)
+    model.settings.source = openmc.IndependentSource(space=space)
+
     # Add necessary settings and export
     model.settings.batches = 10
     model.settings.inactive = 0
@@ -71,3 +84,9 @@ expected_results = [
 def test_cell_instance_multilattice(r, expected_cell_instance):
     _, cell_instance = openmc.lib.find_cell(r)
     assert cell_instance == expected_cell_instance
+
+
+def test_cell_instance_multilattice_results():
+    openmc.lib.run()
+    tally_results = openmc.lib.tallies[1].mean
+    assert (tally_results != 0.0).all()

From 463299d04aa15c87baedaf33bf84c07b77090eed Mon Sep 17 00:00:00 2001
From: Ethan Peterson <ethan.peterson@mit.edu>
Date: Mon, 8 Apr 2024 09:45:01 -0400
Subject: [PATCH 2055/2654] Polygon fix to better handle colinear points
 (#2935)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/model/surface_composite.py          | 26 +++++++++++++---------
 tests/unit_tests/test_surface_composite.py | 26 ++++++++++++++++++++++
 2 files changed, 41 insertions(+), 11 deletions(-)

diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index 8f48b2f71..5543a88e8 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -635,7 +635,7 @@ class XConeOneSided(CompositeSurface):
         z-coordinate of the apex. Defaults to 0.
     r2 : float, optional
         Parameter related to the aperture [:math:`\\rm cm^2`].
-        It can be interpreted as the increase in the radius squared per cm along 
+        It can be interpreted as the increase in the radius squared per cm along
         the cone's axis of revolution.
     up : bool
         Whether to select the side of the cone that extends to infinity in the
@@ -695,7 +695,7 @@ class YConeOneSided(CompositeSurface):
         z-coordinate of the apex. Defaults to 0.
     r2 : float, optional
         Parameter related to the aperture [:math:`\\rm cm^2`].
-        It can be interpreted as the increase in the radius squared per cm along 
+        It can be interpreted as the increase in the radius squared per cm along
         the cone's axis of revolution.
     up : bool
         Whether to select the side of the cone that extends to infinity in the
@@ -749,7 +749,7 @@ class ZConeOneSided(CompositeSurface):
         z-coordinate of the apex. Defaults to 0.
     r2 : float, optional
         Parameter related to the aperture [:math:`\\rm cm^2`].
-        It can be interpreted as the increase in the radius squared per cm along 
+        It can be interpreted as the increase in the radius squared per cm along
         the cone's axis of revolution.
     up : bool
         Whether to select the side of the cone that extends to infinity in the
@@ -1029,9 +1029,9 @@ class Polygon(CompositeSurface):
         -------
         None
         """
-        # Only attempt the triangulation up to 3 times.
-        if depth > 2:
-            raise RuntimeError('Could not create a valid triangulation after 3'
+        # Only attempt the triangulation up to 5 times.
+        if depth > 4:
+            raise RuntimeError('Could not create a valid triangulation after 5'
                                ' attempts')
 
         tri = Delaunay(points, qhull_options='QJ')
@@ -1039,7 +1039,7 @@ class Polygon(CompositeSurface):
         # included in the triangulation, break it into two line segments.
         n = len(points)
         new_pts = []
-        for i, j in zip(range(n), range(1, n +1)):
+        for i, j in zip(range(n), range(1, n + 1)):
             # If both vertices of any edge are not found in any simplex, insert
             # a new point between them.
             if not any([i in s and j % n in s for s in tri.simplices]):
@@ -1077,7 +1077,8 @@ class Polygon(CompositeSurface):
             return group
         # If group is empty, grab the next simplex in the dictionary and recurse
         if group is None:
-            sidx = next(iter(neighbor_map))
+            # Start with smallest neighbor lists
+            sidx = sorted(neighbor_map.items(), key=lambda item: len(item[1]))[0][0]
             return self._group_simplices(neighbor_map, group=[sidx])
         # Otherwise use the last simplex in the group
         else:
@@ -1087,13 +1088,16 @@ class Polygon(CompositeSurface):
             # For each neighbor check if it is part of the same convex
             # hull as the rest of the group. If yes, recurse. If no, continue on.
             for n in neighbors:
-                if n in group or neighbor_map.get(n, None) is None:
+                if n in group or neighbor_map.get(n) is None:
                     continue
                 test_group = group + [n]
                 test_point_idx = np.unique(self._tri.simplices[test_group, :])
                 test_points = self.points[test_point_idx]
-                # If test_points are convex keep adding to this group
-                if len(test_points) == len(ConvexHull(test_points).vertices):
+                test_hull = ConvexHull(test_points, qhull_options='Qc')
+                pts_on_hull = len(test_hull.vertices) + len(test_hull.coplanar)
+                # If test_points are convex (including coplanar) keep adding to
+                # this group
+                if len(test_points) == pts_on_hull:
                     group = self._group_simplices(neighbor_map, group=test_group)
             return group
 
diff --git a/tests/unit_tests/test_surface_composite.py b/tests/unit_tests/test_surface_composite.py
index 73519c383..19221212e 100644
--- a/tests/unit_tests/test_surface_composite.py
+++ b/tests/unit_tests/test_surface_composite.py
@@ -399,6 +399,32 @@ def test_polygon():
     with pytest.raises(ValueError):
         openmc.model.Polygon(rz_points)
 
+    # Test "M" shaped polygon 
+    points = np.array([[8.5151581, -17.988337],
+                       [10.381711000000001, -17.988337],
+                       [12.744357, -24.288728000000003],
+                       [15.119406000000001, -17.988337],
+                       [16.985959, -17.988337],
+                       [16.985959, -27.246687],
+                       [15.764328, -27.246687],
+                       [15.764328, -19.116951],
+                       [13.376877, -25.466951],
+                       [12.118039, -25.466951],
+                       [9.7305877, -19.116951],
+                       [9.7305877, -27.246687],
+                       [8.5151581, -27.246687]])
+
+    # Test points inside and outside by using offset method
+    m_polygon = openmc.model.Polygon(points, basis='xz')
+    inner_pts = m_polygon.offset(-0.1).points
+    assert all([(pt[0], 0, pt[1]) in -m_polygon for pt in inner_pts])
+    outer_pts = m_polygon.offset(0.1).points
+    assert all([(pt[0], 0, pt[1]) in +m_polygon for pt in outer_pts])
+
+    # Offset of -0.2 will cause self-intersection
+    with pytest.raises(ValueError):
+        m_polygon.offset(-0.2)
+
 
 @pytest.mark.parametrize("axis", ["x", "y", "z"])
 def test_cruciform_prism(axis):

From 70ba23a3672740db9e92fe3fc7cd6d8628edd036 Mon Sep 17 00:00:00 2001
From: Hunter Belanger <hunter.belanger@gmail.com>
Date: Mon, 8 Apr 2024 10:08:18 -0400
Subject: [PATCH 2056/2654] Update xtl and xtensor submodules (#2941)

---
 vendor/xtensor | 2 +-
 vendor/xtl     | 2 +-
 2 files changed, 2 insertions(+), 2 deletions(-)

diff --git a/vendor/xtensor b/vendor/xtensor
index 31acec1e9..3634f2ded 160000
--- a/vendor/xtensor
+++ b/vendor/xtensor
@@ -1 +1 @@
-Subproject commit 31acec1e90bbea6d4bc17af0710a123bd5da6689
+Subproject commit 3634f2ded19e0cf38208c8b86cea9e1d7c8e397d
diff --git a/vendor/xtl b/vendor/xtl
index c19750fb1..a7c1c5444 160000
--- a/vendor/xtl
+++ b/vendor/xtl
@@ -1 +1 @@
-Subproject commit c19750fb1488369dc41f6069bc2b8446fc093e75
+Subproject commit a7c1c5444dfc57f76620391af4c94785ff82c8d6

From fea90e0926be94627b67f9d9d2500d0def7d17ce Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Mon, 8 Apr 2024 16:08:15 +0100
Subject: [PATCH 2057/2654] updated package versions in Dockerfile (#2946)

---
 Dockerfile | 8 ++++----
 1 file changed, 4 insertions(+), 4 deletions(-)

diff --git a/Dockerfile b/Dockerfile
index 0b4742ada..107df4afe 100644
--- a/Dockerfile
+++ b/Dockerfile
@@ -34,21 +34,21 @@ ARG build_libmesh
 ENV HOME=/root
 
 # Embree variables
-ENV EMBREE_TAG='v3.12.2'
+ENV EMBREE_TAG='v4.3.1'
 ENV EMBREE_REPO='https://github.com/embree/embree'
 ENV EMBREE_INSTALL_DIR=$HOME/EMBREE/
 
 # MOAB variables
-ENV MOAB_TAG='5.3.0'
+ENV MOAB_TAG='5.5.1'
 ENV MOAB_REPO='https://bitbucket.org/fathomteam/moab/'
 
 # Double-Down variables
-ENV DD_TAG='v1.0.0'
+ENV DD_TAG='v1.1.0'
 ENV DD_REPO='https://github.com/pshriwise/double-down'
 ENV DD_INSTALL_DIR=$HOME/Double_down
 
 # DAGMC variables
-ENV DAGMC_BRANCH='v3.2.1'
+ENV DAGMC_BRANCH='v3.2.3'
 ENV DAGMC_REPO='https://github.com/svalinn/DAGMC'
 ENV DAGMC_INSTALL_DIR=$HOME/DAGMC/
 

From 569c087597adf873a4869d7785884b94f539b543 Mon Sep 17 00:00:00 2001
From: Lorenzo Chierici <l.chierici89@gmail.com>
Date: Tue, 9 Apr 2024 21:26:03 +0200
Subject: [PATCH 2058/2654] Depletion restart with mpi (#2778)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/deplete/coupled_operator.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/deplete/coupled_operator.py b/openmc/deplete/coupled_operator.py
index 856a26958..8d43e2b2c 100644
--- a/openmc/deplete/coupled_operator.py
+++ b/openmc/deplete/coupled_operator.py
@@ -291,7 +291,7 @@ class CoupledOperator(OpenMCOperator):
         # on this process
         if comm.size != 1:
             prev_results = self.prev_res
-            self.prev_res = Results()
+            self.prev_res = Results(filename=None)
             mat_indexes = _distribute(range(len(self.burnable_mats)))
             for res_obj in prev_results:
                 new_res = res_obj.distribute(self.local_mats, mat_indexes)

From 256150f5675f4d1c61f9c07b5e29cdb8293cffc0 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 11 Apr 2024 15:00:41 +0200
Subject: [PATCH 2059/2654] Ensure that two surfaces with different boundary
 type are not considered redundant (#2942)

---
 openmc/geometry.py                |  2 +-
 tests/unit_tests/test_geometry.py | 13 +++++++++++++
 2 files changed, 14 insertions(+), 1 deletion(-)

diff --git a/openmc/geometry.py b/openmc/geometry.py
index 8815f2c83..175cef2bf 100644
--- a/openmc/geometry.py
+++ b/openmc/geometry.py
@@ -701,7 +701,7 @@ class Geometry:
             coeffs = tuple(round(surf._coefficients[k],
                                  self.surface_precision)
                            for k in surf._coeff_keys)
-            key = (surf._type,) + coeffs
+            key = (surf._type, surf._boundary_type) + coeffs
             redundancies[key].append(surf)
 
         redundant_surfaces = {replace.id: keep
diff --git a/tests/unit_tests/test_geometry.py b/tests/unit_tests/test_geometry.py
index f5a1bd7db..6cc577c82 100644
--- a/tests/unit_tests/test_geometry.py
+++ b/tests/unit_tests/test_geometry.py
@@ -390,3 +390,16 @@ def test_get_all_nuclides():
     c2 = openmc.Cell(fill=m2, region=+s)
     geom = openmc.Geometry([c1, c2])
     assert geom.get_all_nuclides() == ['Be9', 'Fe56']
+
+
+def test_redundant_surfaces():
+    # Make sure boundary condition is accounted for
+    s1 = openmc.Sphere(r=5.0)
+    s2 = openmc.Sphere(r=5.0, boundary_type="vacuum")
+    c1 = openmc.Cell(region=-s1)
+    c2 = openmc.Cell(region=+s1)
+    u_lower = openmc.Universe(cells=[c1, c2])
+    c3 = openmc.Cell(fill=u_lower, region=-s2)
+    geom = openmc.Geometry([c3])
+    redundant_surfs = geom.remove_redundant_surfaces()
+    assert len(redundant_surfs) == 0

From 26280bc9d514568d7439885f02267aa40176b710 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 11 Apr 2024 08:10:45 -0500
Subject: [PATCH 2060/2654] Add MPI calls to DAGMC external test.  (#2948)

---
 tests/regression_tests/dagmc/external/main.cpp | 10 ++++++++++
 1 file changed, 10 insertions(+)

diff --git a/tests/regression_tests/dagmc/external/main.cpp b/tests/regression_tests/dagmc/external/main.cpp
index bebe088f6..3765cf79a 100644
--- a/tests/regression_tests/dagmc/external/main.cpp
+++ b/tests/regression_tests/dagmc/external/main.cpp
@@ -5,6 +5,7 @@
 #include "openmc/geometry.h"
 #include "openmc/geometry_aux.h"
 #include "openmc/material.h"
+#include "openmc/message_passing.h"
 #include "openmc/nuclide.h"
 #include <iostream>
 
@@ -14,7 +15,12 @@ int main(int argc, char* argv[])
   int openmc_err;
 
   // Initialise OpenMC
+#ifdef OPENMC_MPI
+  MPI_Comm world = MPI_COMM_WORLD;
+  openmc_err = openmc_init(argc, argv, &world);
+#else
   openmc_err = openmc_init(argc, argv, nullptr);
+#endif
   if (openmc_err == -1) {
     // This happens for the -h and -v flags
     return EXIT_SUCCESS;
@@ -104,5 +110,9 @@ int main(int argc, char* argv[])
   if (openmc_err)
     fatal_error(openmc_err_msg);
 
+#ifdef OPENMC_MPI
+  MPI_Finalize();
+#endif
+
   return EXIT_SUCCESS;
 }

From cfebe16127c0f6636d0370ac141df8a769bebded Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Thu, 11 Apr 2024 16:35:29 +0100
Subject: [PATCH 2061/2654] added check for length of value passed into
 EnergyFilter (#2887)

---
 openmc/filter.py                 | 4 ++++
 tests/unit_tests/test_filters.py | 7 ++++++-
 2 files changed, 10 insertions(+), 1 deletion(-)

diff --git a/openmc/filter.py b/openmc/filter.py
index 04b30261d..c1d86126a 100644
--- a/openmc/filter.py
+++ b/openmc/filter.py
@@ -1377,6 +1377,10 @@ class EnergyFilter(RealFilter):
     """
     units = 'eV'
 
+    def __init__(self, values, filter_id=None):
+        cv.check_length('values', values, 2)
+        super().__init__(values, filter_id)
+
     def get_bin_index(self, filter_bin):
         # Use lower energy bound to find index for RealFilters
         deltas = np.abs(self.bins[:, 1] - filter_bin[1]) / filter_bin[1]
diff --git a/tests/unit_tests/test_filters.py b/tests/unit_tests/test_filters.py
index 4ace59e72..55bb62075 100644
--- a/tests/unit_tests/test_filters.py
+++ b/tests/unit_tests/test_filters.py
@@ -1,6 +1,6 @@
 import numpy as np
 import openmc
-from pytest import fixture, approx
+from pytest import fixture, approx, raises
 
 
 @fixture(scope='module')
@@ -248,6 +248,11 @@ def test_energy():
     assert len(f.values) == 710
 
 
+def test_energyfilter_error_handling():
+    with raises(ValueError):
+        openmc.EnergyFilter([1e6])
+
+
 def test_lethargy_bin_width():
     f = openmc.EnergyFilter.from_group_structure('VITAMIN-J-175')
     assert len(f.lethargy_bin_width) == 175

From 9fd096b84338fe468c848b6c7bb992374c8ff072 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 11 Apr 2024 12:09:23 -0500
Subject: [PATCH 2062/2654] Add a `max_events` setting. (#2945)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 docs/source/io_formats/settings.rst | 22 +++++++++++++++-------
 include/openmc/particle_data.h      |  3 ---
 include/openmc/settings.h           |  4 ++--
 openmc/settings.py                  | 27 +++++++++++++++++++++++++++
 src/finalize.cpp                    |  1 +
 src/particle.cpp                    |  2 +-
 src/settings.cpp                    |  7 +++++++
 tests/unit_tests/test_settings.py   |  9 ++++++---
 8 files changed, 59 insertions(+), 16 deletions(-)

diff --git a/docs/source/io_formats/settings.rst b/docs/source/io_formats/settings.rst
index da71e4e60..9a339fb47 100644
--- a/docs/source/io_formats/settings.rst
+++ b/docs/source/io_formats/settings.rst
@@ -252,9 +252,9 @@ to false.
 
   *Default*: true
 
-----------------------------------------
+-------------------------------------
 ``<max_particles_in_flight>`` Element
-----------------------------------------
+-------------------------------------
 
 This element indicates the number of neutrons to run in flight concurrently
 when using event-based parallelism. A higher value uses more memory, but
@@ -262,9 +262,17 @@ may be more efficient computationally.
 
   *Default*: 100000
 
----------------------------
+---------------------------------
+``<max_particle_events>`` Element
+---------------------------------
+
+This element indicates the maximum number of events a particle can undergo.
+
+  *Default*: 1000000
+
+-----------------------
 ``<max_order>`` Element
----------------------------
+-----------------------
 
 The ``<max_order>`` element allows the user to set a maximum scattering order
 to apply to every nuclide/material in the problem.  That is, if the data
@@ -276,11 +284,11 @@ then, OpenMC will only use up to the :math:`P_1` data.
   .. note:: This element is not used in the continuous-energy
     :ref:`energy_mode`.
 
----------------------------
+------------------------
 ``<max_splits>`` Element
----------------------------
+------------------------
 
-The ``<max_splits>`` element indicates the number of times a particle can split during a history. 
+The ``<max_splits>`` element indicates the number of times a particle can split during a history.
 
   *Default*: 1000
 
diff --git a/include/openmc/particle_data.h b/include/openmc/particle_data.h
index cceab1d11..5c765e2e6 100644
--- a/include/openmc/particle_data.h
+++ b/include/openmc/particle_data.h
@@ -27,9 +27,6 @@ constexpr int MAX_DELAYED_GROUPS {8};
 
 constexpr double CACHE_INVALID {-1.0};
 
-// Maximum number of collisions/crossings
-constexpr int MAX_EVENTS {1000000};
-
 //==========================================================================
 // Aliases and type definitions
 
diff --git a/include/openmc/settings.h b/include/openmc/settings.h
index 69a8d7d13..5e60009bc 100644
--- a/include/openmc/settings.h
+++ b/include/openmc/settings.h
@@ -93,8 +93,8 @@ extern "C" int32_t gen_per_batch; //!< number of generations per batch
 extern "C" int64_t n_particles;   //!< number of particles per generation
 
 extern int64_t
-  max_particles_in_flight; //!< Max num. event-based particles in flight
-
+  max_particles_in_flight;      //!< Max num. event-based particles in flight
+extern int max_particle_events; //!< Maximum number of particle events
 extern ElectronTreatment
   electron_treatment; //!< how to treat secondary electrons
 extern array<double, 4>
diff --git a/openmc/settings.py b/openmc/settings.py
index a6d273901..828d5aef4 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -109,6 +109,10 @@ class Settings:
         parallelism.
 
         .. versionadded:: 0.12
+    max_particle_events : int
+        Maximum number of allowed particle events per source particle.
+
+        .. versionadded:: 0.14.1
     max_order : None or int
         Maximum scattering order to apply globally when in multi-group mode.
     max_splits : int
@@ -334,6 +338,7 @@ class Settings:
 
         self._event_based = None
         self._max_particles_in_flight = None
+        self._max_particle_events = None
         self._write_initial_source = None
         self._weight_windows = cv.CheckedList(WeightWindows, 'weight windows')
         self._weight_window_generators = cv.CheckedList(WeightWindowGenerator, 'weight window generators')
@@ -938,6 +943,16 @@ class Settings:
         cv.check_greater_than('max particles in flight', value, 0)
         self._max_particles_in_flight = value
 
+    @property
+    def max_particle_events(self) -> int:
+        return self._max_particle_events
+
+    @max_particle_events.setter
+    def max_particle_events(self, value: int):
+        cv.check_type('max particle events', value, Integral)
+        cv.check_greater_than('max particle events', value, 0)
+        self._max_particle_events = value
+
     @property
     def write_initial_source(self) -> bool:
         return self._write_initial_source
@@ -1341,6 +1356,11 @@ class Settings:
             elem = ET.SubElement(root, "max_particles_in_flight")
             elem.text = str(self._max_particles_in_flight).lower()
 
+    def _create_max_events_subelement(self, root):
+        if self._max_particle_events is not None:
+            elem = ET.SubElement(root, "max_particle_events")
+            elem.text = str(self._max_particle_events).lower()
+
     def _create_material_cell_offsets_subelement(self, root):
         if self._material_cell_offsets is not None:
             elem = ET.SubElement(root, "material_cell_offsets")
@@ -1719,6 +1739,11 @@ class Settings:
         if text is not None:
             self.max_particles_in_flight = int(text)
 
+    def _max_particle_events_from_xml_element(self, root):
+        text = get_text(root, 'max_particle_events')
+        if text is not None:
+            self.max_particle_events = int(text)
+
     def _material_cell_offsets_from_xml_element(self, root):
         text = get_text(root, 'material_cell_offsets')
         if text is not None:
@@ -1820,6 +1845,7 @@ class Settings:
         self._create_delayed_photon_scaling_subelement(element)
         self._create_event_based_subelement(element)
         self._create_max_particles_in_flight_subelement(element)
+        self._create_max_events_subelement(element)
         self._create_material_cell_offsets_subelement(element)
         self._create_log_grid_bins_subelement(element)
         self._create_write_initial_source_subelement(element)
@@ -1923,6 +1949,7 @@ class Settings:
         settings._delayed_photon_scaling_from_xml_element(elem)
         settings._event_based_from_xml_element(elem)
         settings._max_particles_in_flight_from_xml_element(elem)
+        settings._max_particle_events_from_xml_element(elem)
         settings._material_cell_offsets_from_xml_element(elem)
         settings._log_grid_bins_from_xml_element(elem)
         settings._write_initial_source_from_xml_element(elem)
diff --git a/src/finalize.cpp b/src/finalize.cpp
index a41c2f783..26efc9723 100644
--- a/src/finalize.cpp
+++ b/src/finalize.cpp
@@ -91,6 +91,7 @@ int openmc_finalize()
   settings::max_lost_particles = 10;
   settings::max_order = 0;
   settings::max_particles_in_flight = 100000;
+  settings::max_particle_events = 1000000;
   settings::max_splits = 1000;
   settings::max_tracks = 1000;
   settings::max_write_lost_particles = -1;
diff --git a/src/particle.cpp b/src/particle.cpp
index c2e340201..a91113c61 100644
--- a/src/particle.cpp
+++ b/src/particle.cpp
@@ -381,7 +381,7 @@ void Particle::event_revive_from_secondary()
 {
   // If particle has too many events, display warning and kill it
   ++n_event();
-  if (n_event() == MAX_EVENTS) {
+  if (n_event() == settings::max_particle_events) {
     warning("Particle " + std::to_string(id()) +
             " underwent maximum number of events.");
     wgt() = 0.0;
diff --git a/src/settings.cpp b/src/settings.cpp
index a5256c9c2..9f183a6c1 100644
--- a/src/settings.cpp
+++ b/src/settings.cpp
@@ -96,6 +96,7 @@ int32_t gen_per_batch {1};
 int64_t n_particles {-1};
 
 int64_t max_particles_in_flight {100000};
+int max_particle_events {1000000};
 
 ElectronTreatment electron_treatment {ElectronTreatment::TTB};
 array<double, 4> energy_cutoff {0.0, 1000.0, 0.0, 0.0};
@@ -156,6 +157,12 @@ void get_run_parameters(pugi::xml_node node_base)
       std::stoll(get_node_value(node_base, "max_particles_in_flight"));
   }
 
+  // Get maximum number of events allowed per particle
+  if (check_for_node(node_base, "max_particle_events")) {
+    max_particle_events =
+      std::stoll(get_node_value(node_base, "max_particle_events"));
+  }
+
   // Get number of basic batches
   if (check_for_node(node_base, "batches")) {
     n_batches = std::stoi(get_node_value(node_base, "batches"));
diff --git a/tests/unit_tests/test_settings.py b/tests/unit_tests/test_settings.py
index b1737c461..30930ecdf 100644
--- a/tests/unit_tests/test_settings.py
+++ b/tests/unit_tests/test_settings.py
@@ -27,8 +27,8 @@ def test_export_to_xml(run_in_tmpdir):
     s.survival_biasing = True
     s.cutoff = {'weight': 0.25, 'weight_avg': 0.5, 'energy_neutron': 1.0e-5,
                 'energy_photon': 1000.0, 'energy_electron': 1.0e-5,
-                'energy_positron': 1.0e-5, 'time_neutron': 1.0e-5, 
-                'time_photon': 1.0e-5, 'time_electron': 1.0e-5, 
+                'energy_positron': 1.0e-5, 'time_neutron': 1.0e-5,
+                'time_photon': 1.0e-5, 'time_electron': 1.0e-5,
                 'time_positron': 1.0e-5}
     mesh = openmc.RegularMesh()
     mesh.lower_left = (-10., -10., -10.)
@@ -59,6 +59,8 @@ def test_export_to_xml(run_in_tmpdir):
     s.write_initial_source = True
     s.weight_window_checkpoints = {'surface': True, 'collision': False}
 
+    s.max_particle_events = 100
+
     # Make sure exporting XML works
     s.export_to_xml()
 
@@ -92,7 +94,7 @@ def test_export_to_xml(run_in_tmpdir):
     assert s.cutoff == {'weight': 0.25, 'weight_avg': 0.5,
                         'energy_neutron': 1.0e-5, 'energy_photon': 1000.0,
                         'energy_electron': 1.0e-5, 'energy_positron': 1.0e-5,
-                        'time_neutron': 1.0e-5, 'time_photon': 1.0e-5, 
+                        'time_neutron': 1.0e-5, 'time_photon': 1.0e-5,
                         'time_electron': 1.0e-5, 'time_positron': 1.0e-5}
     assert isinstance(s.entropy_mesh, openmc.RegularMesh)
     assert s.entropy_mesh.lower_left == [-10., -10., -10.]
@@ -128,3 +130,4 @@ def test_export_to_xml(run_in_tmpdir):
     assert vol.lower_left == (-10., -10., -10.)
     assert vol.upper_right == (10., 10., 10.)
     assert s.weight_window_checkpoints == {'surface': True, 'collision': False}
+    assert s.max_particle_events == 100

From 4ba053ca472a983a773abf706979455e2bf79a43 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 12 Apr 2024 11:03:19 -0500
Subject: [PATCH 2063/2654] Generate Region Plots Directly (#2895)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/cell.py                  |  6 ++--
 openmc/region.py                | 55 +++++++++++++++++++++++++++++++++
 tests/unit_tests/test_region.py | 10 ++++++
 3 files changed, 69 insertions(+), 2 deletions(-)

diff --git a/openmc/cell.py b/openmc/cell.py
index 998640930..6de8eadec 100644
--- a/openmc/cell.py
+++ b/openmc/cell.py
@@ -594,7 +594,7 @@ class Cell(IDManagerMixin):
 
                # Make water blue
                water = openmc.Cell(fill=h2o)
-               universe.plot(..., colors={water: (0., 0., 1.))
+               water.plot(colors={water: (0., 0., 1.)})
         seed : int
             Seed for the random number generator
         openmc_exec : str
@@ -619,8 +619,10 @@ class Cell(IDManagerMixin):
 
         """
         # Create dummy universe but preserve used_ids
-        u = openmc.Universe(cells=[self], universe_id=openmc.Universe.next_id + 1)
+        next_id = openmc.Universe.next_id
+        u = openmc.Universe(cells=[self])
         openmc.Universe.used_ids.remove(u.id)
+        openmc.Universe.next_id = next_id
         return u.plot(*args, **kwargs)
 
     def create_xml_subelement(self, xml_element, memo=None):
diff --git a/openmc/region.py b/openmc/region.py
index 534ee9b82..d3c03b898 100644
--- a/openmc/region.py
+++ b/openmc/region.py
@@ -1,9 +1,11 @@
 from abc import ABC, abstractmethod
 from collections.abc import MutableSequence
 from copy import deepcopy
+import warnings
 
 import numpy as np
 
+import openmc
 from .bounding_box import BoundingBox
 
 
@@ -334,6 +336,59 @@ class Region(ABC):
         return type(self)(n.rotate(rotation, pivot=pivot, order=order,
                                    inplace=inplace, memo=memo) for n in self)
 
+    def plot(self, *args, **kwargs):
+        """Display a slice plot of the region.
+
+        .. versionadded:: 0.14.1
+
+        Parameters
+        ----------
+        origin : iterable of float
+            Coordinates at the origin of the plot. If left as None then the
+            bounding box center will be used to attempt to ascertain the origin.
+            Defaults to (0, 0, 0) if the bounding box is not finite
+        width : iterable of float
+            Width of the plot in each basis direction. If left as none then the
+            bounding box width will be used to attempt to ascertain the plot
+            width. Defaults to (10, 10) if the bounding box is not finite
+        pixels : Iterable of int or int
+            If iterable of ints provided, then this directly sets the number of
+            pixels to use in each basis direction. If int provided, then this
+            sets the total number of pixels in the plot and the number of pixels
+            in each basis direction is calculated from this total and the image
+            aspect ratio.
+        basis : {'xy', 'xz', 'yz'}
+            The basis directions for the plot
+        seed : int
+            Seed for the random number generator
+        openmc_exec : str
+            Path to OpenMC executable.
+        axes : matplotlib.Axes
+            Axes to draw to
+        outline : bool
+            Whether outlines between color boundaries should be drawn
+        axis_units : {'km', 'm', 'cm', 'mm'}
+            Units used on the plot axis
+        **kwargs
+            Keyword arguments passed to :func:`matplotlib.pyplot.imshow`
+
+        Returns
+        -------
+        matplotlib.axes.Axes
+            Axes containing resulting image
+
+        """
+        for key in ('color_by', 'colors', 'legend', 'legend_kwargs'):
+            if key in kwargs:
+                warnings.warn(f"The '{key}' argument is present but won't be applied in a region plot")
+
+        # Create cell while not perturbing use of autogenerated IDs
+        next_id = openmc.Cell.next_id
+        c = openmc.Cell(region=self)
+        openmc.Cell.used_ids.remove(c.id)
+        openmc.Cell.next_id = next_id
+        return c.plot(*args, **kwargs)
+
 
 class Intersection(Region, MutableSequence):
     r"""Intersection of two or more regions.
diff --git a/tests/unit_tests/test_region.py b/tests/unit_tests/test_region.py
index 3197a8d72..8c9e0afe4 100644
--- a/tests/unit_tests/test_region.py
+++ b/tests/unit_tests/test_region.py
@@ -241,3 +241,13 @@ def test_invalid_operands():
     with pytest.raises(ValueError, match='must be of type Region'):
         openmc.Complement(z)
 
+
+def test_plot():
+    # Create region and plot
+    region = -openmc.Sphere() & +openmc.XPlane()
+    c_before = openmc.Cell()
+    region.plot()
+
+    # Ensure that calling plot doesn't affect cell ID space
+    c_after = openmc.Cell()
+    assert c_after.id - 1 == c_before.id

From e77a5247b67a230f4fa7e9294f460e6d43f16cde Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 12 Apr 2024 12:14:13 -0500
Subject: [PATCH 2064/2654] Support UnstructuredMesh for IndependentSource
 (#2949)

Co-authored-by: Jonathan Shimwell <drshimwell@gmail.com>
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/filter.py                     |  8 ++--
 openmc/mesh.py                       | 42 ++++++++++++++++++-
 openmc/source.py                     | 10 +++--
 tests/unit_tests/test_mesh.py        | 19 +++++++++
 tests/unit_tests/test_source_mesh.py | 63 +++++++++++++++++++++++-----
 5 files changed, 123 insertions(+), 19 deletions(-)

diff --git a/openmc/filter.py b/openmc/filter.py
index c1d86126a..66d832c69 100644
--- a/openmc/filter.py
+++ b/openmc/filter.py
@@ -864,10 +864,10 @@ class MeshFilter(Filter):
         cv.check_type('filter mesh', mesh, openmc.MeshBase)
         self._mesh = mesh
         if isinstance(mesh, openmc.UnstructuredMesh):
-            if mesh.volumes is None:
-                self.bins = []
-            else:
+            if mesh.has_statepoint_data:
                 self.bins = list(range(len(mesh.volumes)))
+            else:
+                self.bins = []
         else:
             self.bins = list(mesh.indices)
 
@@ -982,7 +982,7 @@ class MeshFilter(Filter):
         if translation:
             out.translation = [float(x) for x in translation.split()]
         return out
-    
+
 
 class MeshBornFilter(MeshFilter):
     """Filter events by the mesh cell a particle originated from.
diff --git a/openmc/mesh.py b/openmc/mesh.py
index a12bd5853..280f447fa 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -3,6 +3,7 @@ import typing
 import warnings
 from abc import ABC, abstractmethod
 from collections.abc import Iterable
+from functools import wraps
 from math import pi, sqrt, atan2
 from numbers import Integral, Real
 from pathlib import Path
@@ -39,7 +40,8 @@ class MeshBase(IDManagerMixin, ABC):
     bounding_box : openmc.BoundingBox
         Axis-aligned bounding box of the mesh as defined by the upper-right and
         lower-left coordinates.
-
+    indices : Iterable of tuple
+        An iterable of mesh indices for each mesh element, e.g. [(1, 1, 1), (2, 1, 1), ...]
     """
 
     next_id = 1
@@ -66,6 +68,11 @@ class MeshBase(IDManagerMixin, ABC):
     def bounding_box(self) -> openmc.BoundingBox:
         return openmc.BoundingBox(self.lower_left, self.upper_right)
 
+    @property
+    @abstractmethod
+    def indices(self):
+        pass
+
     def __repr__(self):
         string = type(self).__name__ + '\n'
         string += '{0: <16}{1}{2}\n'.format('\tID', '=\t', self._id)
@@ -1914,6 +1921,17 @@ class SphericalMesh(StructuredMesh):
         return arr
 
 
+def require_statepoint_data(func):
+    @wraps(func)
+    def wrapper(self: UnstructuredMesh, *args, **kwargs):
+        if not self._has_statepoint_data:
+            raise AttributeError(f'The "{func.__name__}" property requires '
+                                 'information about this mesh to be loaded '
+                                 'from a statepoint file.')
+        return func(self, *args, **kwargs)
+    return wrapper
+
+
 class UnstructuredMesh(MeshBase):
     """A 3D unstructured mesh
 
@@ -1990,6 +2008,7 @@ class UnstructuredMesh(MeshBase):
         self.library = library
         self._output = False
         self.length_multiplier = length_multiplier
+        self._has_statepoint_data = False
 
     @property
     def filename(self):
@@ -2010,6 +2029,7 @@ class UnstructuredMesh(MeshBase):
         self._library = lib
 
     @property
+    @require_statepoint_data
     def size(self):
         return self._size
 
@@ -2028,6 +2048,7 @@ class UnstructuredMesh(MeshBase):
         self._output = val
 
     @property
+    @require_statepoint_data
     def volumes(self):
         """Return Volumes for every mesh cell if
         populated by a StatePoint file
@@ -2046,26 +2067,32 @@ class UnstructuredMesh(MeshBase):
         self._volumes = volumes
 
     @property
+    @require_statepoint_data
     def total_volume(self):
         return np.sum(self.volumes)
 
     @property
+    @require_statepoint_data
     def vertices(self):
         return self._vertices
 
     @property
+    @require_statepoint_data
     def connectivity(self):
         return self._connectivity
 
     @property
+    @require_statepoint_data
     def element_types(self):
         return self._element_types
 
     @property
+    @require_statepoint_data
     def centroids(self):
         return np.array([self.centroid(i) for i in range(self.n_elements)])
 
     @property
+    @require_statepoint_data
     def n_elements(self):
         if self._n_elements is None:
             raise RuntimeError("No information about this mesh has "
@@ -2096,6 +2123,15 @@ class UnstructuredMesh(MeshBase):
     def n_dimension(self):
         return 3
 
+    @property
+    @require_statepoint_data
+    def indices(self):
+        return [(i,) for i in range(self.n_elements)]
+
+    @property
+    def has_statepoint_data(self) -> bool:
+        return self._has_statepoint_data
+
     def __repr__(self):
         string = super().__repr__()
         string += '{: <16}=\t{}\n'.format('\tFilename', self.filename)
@@ -2106,13 +2142,16 @@ class UnstructuredMesh(MeshBase):
         return string
 
     @property
+    @require_statepoint_data
     def lower_left(self):
         return self.vertices.min(axis=0)
 
     @property
+    @require_statepoint_data
     def upper_right(self):
         return self.vertices.max(axis=0)
 
+    @require_statepoint_data
     def centroid(self, bin: int):
         """Return the vertex averaged centroid of an element
 
@@ -2257,6 +2296,7 @@ class UnstructuredMesh(MeshBase):
         library = group['library'][()].decode()
 
         mesh = cls(filename=filename, library=library, mesh_id=mesh_id)
+        mesh._has_statepoint_data = True
         vol_data = group['volumes'][()]
         mesh.volumes = np.reshape(vol_data, (vol_data.shape[0],))
         mesh.n_elements = mesh.volumes.size
diff --git a/openmc/source.py b/openmc/source.py
index 5942a3107..a77ca8b04 100644
--- a/openmc/source.py
+++ b/openmc/source.py
@@ -500,9 +500,13 @@ class MeshSource(SourceBase):
         elem.set("mesh", str(self.mesh.id))
 
         # write in the order of mesh indices
-        for idx in self.mesh.indices:
-            idx = tuple(i - 1 for i in idx)
-            elem.append(self.sources[idx].to_xml_element())
+        if isinstance(self.mesh, openmc.UnstructuredMesh):
+            for s in self.sources:
+                elem.append(s.to_xml_element())
+        else:
+            for idx in self.mesh.indices:
+                idx = tuple(i - 1 for i in idx)
+                elem.append(self.sources[idx].to_xml_element())
 
     @classmethod
     def from_xml_element(cls, elem: ET.Element, meshes) -> openmc.MeshSource:
diff --git a/tests/unit_tests/test_mesh.py b/tests/unit_tests/test_mesh.py
index 50e1236a8..d50d2968e 100644
--- a/tests/unit_tests/test_mesh.py
+++ b/tests/unit_tests/test_mesh.py
@@ -298,3 +298,22 @@ def test_CylindricalMesh_get_indices_at_coords():
     assert mesh.get_indices_at_coords([98, 200.1, 299]) == (0, 1, 0)  # second angle quadrant
     assert mesh.get_indices_at_coords([98, 199.9, 299]) == (0, 2, 0)  # third angle quadrant
     assert mesh.get_indices_at_coords([102, 199.1, 299]) == (0, 3, 0)  # forth angle quadrant
+
+def test_umesh_roundtrip(run_in_tmpdir, request):
+    umesh = openmc.UnstructuredMesh(request.path.parent / 'test_mesh_tets.e', 'moab')
+    umesh.output = True
+
+    # create a tally using this mesh
+    mf = openmc.MeshFilter(umesh)
+    tally = openmc.Tally()
+    tally.filters = [mf]
+    tally.scores = ['flux']
+
+    tallies = openmc.Tallies([tally])
+    tallies.export_to_xml()
+
+    xml_tallies = openmc.Tallies.from_xml()
+    xml_tally = xml_tallies[0]
+    xml_mesh = xml_tally.filters[0].mesh
+
+    assert umesh.id == xml_mesh.id
diff --git a/tests/unit_tests/test_source_mesh.py b/tests/unit_tests/test_source_mesh.py
index 7bec2d072..f0813d2f9 100644
--- a/tests/unit_tests/test_source_mesh.py
+++ b/tests/unit_tests/test_source_mesh.py
@@ -208,23 +208,29 @@ def test_roundtrip(run_in_tmpdir, model, request):
 ###################
 # MeshSource tests
 ###################
-@pytest.mark.parametrize('mesh_type', ('rectangular', 'cylindrical'))
-def test_mesh_source_independent(run_in_tmpdir, mesh_type):
+@pytest.fixture
+def void_model():
     """
     A void model containing a single box
     """
-    min, max = -10, 10
-    box = openmc.model.RectangularParallelepiped(
-        min, max, min, max, min, max, boundary_type='vacuum')
+    model = openmc.Model()
 
-    geometry = openmc.Geometry([openmc.Cell(region=-box)])
+    box = openmc.model.RectangularParallelepiped(*[-10, 10]*3, boundary_type='vacuum')
+    model.geometry = openmc.Geometry([openmc.Cell(region=-box)])
 
-    settings = openmc.Settings()
-    settings.particles = 100
-    settings.batches = 10
-    settings.run_mode = 'fixed source'
+    model.settings.particles = 100
+    model.settings.batches = 10
+    model.settings.run_mode = 'fixed source'
 
-    model = openmc.Model(geometry=geometry, settings=settings)
+    return model
+
+
+@pytest.mark.parametrize('mesh_type', ('rectangular', 'cylindrical'))
+def test_mesh_source_independent(run_in_tmpdir, void_model, mesh_type):
+    """
+    A void model containing a single box
+    """
+    model = void_model
 
     # define a 2 x 2 x 2 mesh
     if mesh_type == 'rectangular':
@@ -310,6 +316,41 @@ def test_mesh_source_independent(run_in_tmpdir, mesh_type):
     assert mesh_source.strength == 1.0
 
 
+@pytest.mark.parametrize("library", ('moab', 'libmesh'))
+def test_umesh_source_independent(run_in_tmpdir, request, void_model, library):
+    import openmc.lib
+    # skip the test if the library is not enabled
+    if library == 'moab' and not openmc.lib._dagmc_enabled():
+        pytest.skip("DAGMC (and MOAB) mesh not enabled in this build.")
+
+    if library == 'libmesh' and not openmc.lib._libmesh_enabled():
+        pytest.skip("LibMesh is not enabled in this build.")
+
+    model = void_model
+
+    mesh_filename = Path(request.fspath).parent / "test_mesh_tets.e"
+    uscd_mesh = openmc.UnstructuredMesh(mesh_filename, library)
+    ind_source = openmc.IndependentSource()
+    n_elements = 12_000
+    model.settings.source = openmc.MeshSource(uscd_mesh, n_elements*[ind_source])
+    model.export_to_model_xml()
+    try:
+        openmc.lib.init()
+        openmc.lib.simulation_init()
+        sites = openmc.lib.sample_external_source(10)
+        openmc.lib.statepoint_write('statepoint.h5')
+    finally:
+        openmc.lib.finalize()
+
+    with openmc.StatePoint('statepoint.h5') as sp:
+        uscd_mesh = sp.meshes[uscd_mesh.id]
+
+    # ensure at least that all sites are inside the mesh
+    bounding_box = uscd_mesh.bounding_box
+    for site in sites:
+        assert site.r in bounding_box
+
+
 def test_mesh_source_file(run_in_tmpdir):
     # Creating a source file with a single particle
     source_particle = openmc.SourceParticle(time=10.0)

From 2974d53b3c07dc1a822f2b31ecd27b6553cbd458 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Mon, 15 Apr 2024 09:25:32 -0500
Subject: [PATCH 2065/2654] Update minimum Python version to 3.8 (#2958)

---
 .github/workflows/ci.yml            | 6 +++---
 docs/source/devguide/styleguide.rst | 2 +-
 docs/source/usersguide/install.rst  | 2 +-
 setup.py                            | 7 +++----
 4 files changed, 8 insertions(+), 9 deletions(-)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index 99d2155fa..c5accc5e0 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -35,9 +35,6 @@ jobs:
         vectfit: [n]
 
         include:
-          - python-version: "3.7"
-            omp: n
-            mpi: n
           - python-version: "3.8"
             omp: n
             mpi: n
@@ -47,6 +44,9 @@ jobs:
           - python-version: "3.11"
             omp: n
             mpi: n
+          - python-version: "3.12"
+            omp: n
+            mpi: n
           - dagmc: y
             python-version: "3.10"
             mpi: y
diff --git a/docs/source/devguide/styleguide.rst b/docs/source/devguide/styleguide.rst
index 9f6f82f06..3c71d14ad 100644
--- a/docs/source/devguide/styleguide.rst
+++ b/docs/source/devguide/styleguide.rst
@@ -146,7 +146,7 @@ Style for Python code should follow PEP8_.
 
 Docstrings for functions and methods should follow numpydoc_ style.
 
-Python code should work with Python 3.7+.
+Python code should work with Python 3.8+.
 
 Use of third-party Python packages should be limited to numpy_, scipy_,
 matplotlib_, pandas_, and h5py_. Use of other third-party packages must be
diff --git a/docs/source/usersguide/install.rst b/docs/source/usersguide/install.rst
index ab2cbe645..25329a77f 100644
--- a/docs/source/usersguide/install.rst
+++ b/docs/source/usersguide/install.rst
@@ -540,7 +540,7 @@ to install the Python package in :ref:`"editable" mode <devguide_editable>`.
 Prerequisites
 -------------
 
-The Python API works with Python 3.7+. In addition to Python itself, the API
+The Python API works with Python 3.8+. In addition to Python itself, the API
 relies on a number of third-party packages. All prerequisites can be installed
 using Conda_ (recommended), pip_, or through the package manager in most Linux
 distributions.
diff --git a/setup.py b/setup.py
index eeb0b3f29..a33037ad3 100755
--- a/setup.py
+++ b/setup.py
@@ -53,19 +53,18 @@ kwargs = {
         'Topic :: Scientific/Engineering'
         'Programming Language :: C++',
         'Programming Language :: Python :: 3',
-        'Programming Language :: Python :: 3.7',
-        'Programming Language :: Python :: 3.7',
         'Programming Language :: Python :: 3.8',
         'Programming Language :: Python :: 3.9',
         'Programming Language :: Python :: 3.10',
         'Programming Language :: Python :: 3.11',
+        'Programming Language :: Python :: 3.12',
     ],
 
     # Dependencies
-    'python_requires': '>=3.7',
+    'python_requires': '>=3.8',
     'install_requires': [
         'numpy>=1.9', 'h5py', 'scipy', 'ipython', 'matplotlib',
-        'pandas', 'lxml', 'uncertainties'
+        'pandas', 'lxml', 'uncertainties', 'setuptools'
     ],
     'extras_require': {
         'depletion-mpi': ['mpi4py'],

From d53155d234f681548534be5085383d423ecf88d6 Mon Sep 17 00:00:00 2001
From: Aidan Crilly <20111148+aidancrilly@users.noreply.github.com>
Date: Thu, 18 Apr 2024 17:46:18 +0100
Subject: [PATCH 2066/2654] Added fix to cfloat_endf for length 11 endf floats
 (#2967)

Co-authored-by: aidancrilly <a.crilly16@imperial.ac.uk>
---
 openmc/data/endf.c            | 2 +-
 tests/unit_tests/test_endf.py | 1 +
 2 files changed, 2 insertions(+), 1 deletion(-)

diff --git a/openmc/data/endf.c b/openmc/data/endf.c
index 936fd3bbb..dd5eee541 100644
--- a/openmc/data/endf.c
+++ b/openmc/data/endf.c
@@ -14,7 +14,7 @@
 
 double cfloat_endf(const char* buffer, int n)
 {
-  char arr[12]; // 11 characters plus a null terminator
+  char arr[13]; // 11 characters plus e and a null terminator
   int j = 0; // current position in arr
   int found_significand = 0;
   int found_exponent = 0;
diff --git a/tests/unit_tests/test_endf.py b/tests/unit_tests/test_endf.py
index 9e6970867..1d4982054 100644
--- a/tests/unit_tests/test_endf.py
+++ b/tests/unit_tests/test_endf.py
@@ -23,6 +23,7 @@ def test_float_endf():
     assert endf.float_endf('-1.+2') == approx(-100.0)
     assert endf.float_endf('        ') == 0.0
     assert endf.float_endf('9.876540000000000') == approx(9.87654)
+    assert endf.float_endf('-2.225002+6') == approx(-2.225002e+6)
 
 
 def test_int_endf():

From 5111aa2621ec74280ca9b762ccc149cde70c531d Mon Sep 17 00:00:00 2001
From: John Tramm <john.tramm@gmail.com>
Date: Thu, 18 Apr 2024 17:10:16 -0500
Subject: [PATCH 2067/2654] Random Ray Transport (#2823)

Co-authored-by: Gavin Ridley <gavin.keith.ridley@gmail.com>
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 CMakeLists.txt                                |   3 +
 docs/source/_images/2x2_fsrs.jpeg             | Bin 0 -> 271045 bytes
 docs/source/_images/2x2_materials.jpeg        | Bin 0 -> 59424 bytes
 docs/source/io_formats/settings.rst           |  26 +
 docs/source/methods/index.rst                 |   1 +
 docs/source/methods/random_ray.rst            | 804 ++++++++++++++++++
 docs/source/usersguide/data.rst               |   2 +
 docs/source/usersguide/index.rst              |   2 +
 docs/source/usersguide/random_ray.rst         | 480 +++++++++++
 examples/pincell_random_ray/build_xml.py      | 203 +++++
 include/openmc/boundary_condition.h           |   1 +
 include/openmc/cell.h                         |  36 +
 include/openmc/constants.h                    |   2 +
 include/openmc/mgxs.h                         |   3 +-
 include/openmc/output.h                       |   4 +-
 include/openmc/plot.h                         |   1 +
 .../openmc/random_ray/flat_source_domain.h    | 141 +++
 include/openmc/random_ray/random_ray.h        |  55 ++
 .../openmc/random_ray/random_ray_simulation.h |  59 ++
 include/openmc/settings.h                     |   6 +-
 include/openmc/timer.h                        |   1 +
 openmc/settings.py                            |  90 +-
 src/boundary_condition.cpp                    |  14 +-
 src/eigenvalue.cpp                            |  23 +-
 src/geometry.cpp                              |  12 +-
 src/main.cpp                                  |  11 +-
 src/mesh.cpp                                  |   2 +-
 src/output.cpp                                |   3 +-
 src/random_ray/flat_source_domain.cpp         | 686 +++++++++++++++
 src/random_ray/random_ray.cpp                 | 289 +++++++
 src/random_ray/random_ray_simulation.cpp      | 397 +++++++++
 src/settings.cpp                              |  42 +
 src/simulation.cpp                            |  28 +-
 src/source.cpp                                |  52 +-
 src/tallies/tally.cpp                         |   7 +-
 src/timer.cpp                                 |   2 +
 .../random_ray_basic/__init__.py              |   0
 .../random_ray_basic/inputs_true.dat          | 108 +++
 .../random_ray_basic/results_true.dat         | 171 ++++
 .../regression_tests/random_ray_basic/test.py | 232 +++++
 .../random_ray_vacuum/__init__.py             |   0
 .../random_ray_vacuum/inputs_true.dat         | 108 +++
 .../random_ray_vacuum/results_true.dat        | 171 ++++
 .../random_ray_vacuum/test.py                 | 235 +++++
 tests/testing_harness.py                      |  57 ++
 tests/unit_tests/test_settings.py             |  11 +
 46 files changed, 4512 insertions(+), 69 deletions(-)
 create mode 100644 docs/source/_images/2x2_fsrs.jpeg
 create mode 100644 docs/source/_images/2x2_materials.jpeg
 create mode 100644 docs/source/methods/random_ray.rst
 create mode 100644 docs/source/usersguide/random_ray.rst
 create mode 100644 examples/pincell_random_ray/build_xml.py
 create mode 100644 include/openmc/random_ray/flat_source_domain.h
 create mode 100644 include/openmc/random_ray/random_ray.h
 create mode 100644 include/openmc/random_ray/random_ray_simulation.h
 create mode 100644 src/random_ray/flat_source_domain.cpp
 create mode 100644 src/random_ray/random_ray.cpp
 create mode 100644 src/random_ray/random_ray_simulation.cpp
 create mode 100644 tests/regression_tests/random_ray_basic/__init__.py
 create mode 100644 tests/regression_tests/random_ray_basic/inputs_true.dat
 create mode 100644 tests/regression_tests/random_ray_basic/results_true.dat
 create mode 100644 tests/regression_tests/random_ray_basic/test.py
 create mode 100644 tests/regression_tests/random_ray_vacuum/__init__.py
 create mode 100644 tests/regression_tests/random_ray_vacuum/inputs_true.dat
 create mode 100644 tests/regression_tests/random_ray_vacuum/results_true.dat
 create mode 100644 tests/regression_tests/random_ray_vacuum/test.py

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 6922e6b89..3f87cbd7e 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -380,6 +380,9 @@ list(APPEND libopenmc_SOURCES
   src/progress_bar.cpp
   src/random_dist.cpp
   src/random_lcg.cpp
+  src/random_ray/random_ray_simulation.cpp
+  src/random_ray/random_ray.cpp
+  src/random_ray/flat_source_domain.cpp
   src/reaction.cpp
   src/reaction_product.cpp
   src/scattdata.cpp
diff --git a/docs/source/_images/2x2_fsrs.jpeg b/docs/source/_images/2x2_fsrs.jpeg
new file mode 100644
index 0000000000000000000000000000000000000000..1c8e474d0e8f7b37adeb6e832b7197f6458f071e
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HcmV?d00001

diff --git a/docs/source/io_formats/settings.rst b/docs/source/io_formats/settings.rst
index 9a339fb47..6318a9916 100644
--- a/docs/source/io_formats/settings.rst
+++ b/docs/source/io_formats/settings.rst
@@ -413,6 +413,32 @@ or sub-elements and can be set to either "false" or "true".
 
   .. note:: This element is not used in the multi-group :ref:`energy_mode`.
 
+------------------------
+``<random_ray>`` Element
+------------------------
+
+The ``<random_ray>`` element enables random ray mode and contains a number of
+settings relevant to the solver. Tips for selecting these parameters can be
+found in the :ref:`random ray user guide <random_ray>`.
+
+  :distance_inactive:
+    The inactive ray length (dead zone length) in [cm].
+
+    *Default*: None
+
+  :distance_active:
+    The active ray length in [cm].
+
+    *Default*: None
+
+  :source:
+    Specifies the starting ray distribution, and follows the format for
+    :ref:`source_element`. It must be uniform in space and angle and cover the
+    full domain. It does not represent a physical neutron or photon source -- it
+    is only used to sample integrating ray starting locations and directions.
+
+    *Default*: None
+
 ----------------------------------
 ``<resonance_scattering>`` Element
 ----------------------------------
diff --git a/docs/source/methods/index.rst b/docs/source/methods/index.rst
index 59892ac27..08aa7d053 100644
--- a/docs/source/methods/index.rst
+++ b/docs/source/methods/index.rst
@@ -20,3 +20,4 @@ Theory and Methodology
     energy_deposition
     parallelization
     cmfd
+    random_ray
\ No newline at end of file
diff --git a/docs/source/methods/random_ray.rst b/docs/source/methods/random_ray.rst
new file mode 100644
index 000000000..aa4367847
--- /dev/null
+++ b/docs/source/methods/random_ray.rst
@@ -0,0 +1,804 @@
+.. _methods_random_ray:
+
+==========
+Random Ray
+==========
+
+.. _methods_random_ray_intro:
+
+-------------------
+What is Random Ray?
+-------------------
+
+`Random ray <Tramm-2017a>`_ is a stochastic transport method, closely related to
+the deterministic Method of Characteristics (MOC) [Askew-1972]_. Rather than
+each ray representing a single neutron as in Monte Carlo, it represents a
+characteristic line through the simulation geometry upon which the transport
+equation can be written as an ordinary differential equation that can be solved
+analytically (although with discretization required in energy, making it a
+multigroup method). The behavior of the governing transport equation can be
+approximated by solving along many characteristic tracks (rays) through the
+system. Unlike particles in Monte Carlo, rays in random ray or MOC are not
+affected by the material characteristics of the simulated problem---rays are
+selected so as to explore the full simulation problem with a statistically equal
+distribution in space and angle.
+
+.. raw:: html
+
+    <iframe width="560" height="315" src="https://www.youtube.com/embed/pHQq3FE4PDo?si=kPm9ngMBr95wLRGC" title="YouTube video player" frameborder="0" allow="accelerometer; autoplay; clipboard-write; encrypted-media; gyroscope; picture-in-picture; web-share" allowfullscreen></iframe>
+
+The above animation is an example of the random ray integration process at work,
+showing a series of random rays being sampled and transported through the
+geometry. In the following sections, we will discuss how the random ray solver
+works.
+
+----------------------------------------------
+Why is a Random Ray Solver Included in OpenMC?
+----------------------------------------------
+
+* One area that Monte Carlo struggles with is maintaining numerical efficiency
+  in regions of low physical particle flux. Random ray, on the other hand, has
+  approximately even variance throughout the entire global simulation domain,
+  such that areas with low neutron flux are no less well known that areas of
+  high neutron flux. Absent weight windows in MC, random ray can be several
+  orders of magnitude faster than multigroup Monte Carlo in classes of problems
+  where areas with low physical neutron flux need to be resolved. While MC
+  uncertainty can be greatly improved with variance reduction techniques, they
+  add some user complexity, and weight windows can often be expensive to
+  generate via MC transport alone (e.g., via the `MAGIC method
+  <https://doi.org/10.1016/j.fusengdes.2011.01.059>`_). The random ray solver
+  may be used in future versions of OpenMC as a fast way to generate weight
+  windows for subsequent usage by the MC solver in OpenMC.
+
+* In practical implementation terms, random ray is mechanically very similar to
+  how Monte Carlo works, in terms of the process of ray tracing on constructive
+  solid geometry (CSG) and handling stochastic convergence, etc. In the original
+  1972 paper by Askew that introduces MOC (which random ray is a variant of), he
+  stated:
+
+    .. epigraph::
+
+        "One of the features of the method proposed [MoC] is that ... the
+        tracking process needed to perform this operation is common to the
+        proposed method ... and to Monte Carlo methods. Thus a single tracking
+        routine capable of recognizing a geometric arrangement could be utilized
+        to service all types of solution, choice being made depending which was
+        more appropriate to the problem size and required accuracy."
+
+        -- Askew [Askew-1972]_
+
+    This prediction holds up---the additional requirements needed in OpenMC to
+    handle random ray transport turned out to be fairly small.
+
+* It amortizes the code complexity in OpenMC for representing multigroup cross
+  sections. There is a significant amount of interface code, documentation, and
+  complexity in allowing OpenMC to generate and use multigroup XS data in its
+  MGMC mode. Random ray allows the same multigroup data to be used, making full
+  reuse of these existing capabilities.
+
+-------------------------------
+Random Ray Numerical Derivation
+-------------------------------
+
+In this section, we will derive the numerical basis for the random ray solver
+mode in OpenMC. The derivation of random ray is also discussed in several papers
+(`1 <Tramm-2017a>`_, `2 <Tramm-2017b>`_, `3 <Tramm-2018>`_), and some of those
+derivations are reproduced here verbatim. Several extensions are also made to
+add clarity, particularly on the topic of OpenMC's treatment of cell volumes in
+the random ray solver.
+
+~~~~~~~~~~~~~~~~~~~~~~~~~
+Method of Characteristics
+~~~~~~~~~~~~~~~~~~~~~~~~~
+
+The Boltzmann neutron transport equation is a partial differential equation
+(PDE) that describes the angular flux within a system. It is a balance equation,
+with the streaming and absorption terms typically appearing on the left hand
+side, which are balanced by the scattering source and fission source terms on
+the right hand side.
+
+.. math::
+    :label: transport
+
+    \begin{align*}
+    \mathbf{\Omega} \cdot \mathbf{\nabla} \psi(\mathbf{r},\mathbf{\Omega},E) & + \Sigma_t(\mathbf{r},E) \psi(\mathbf{r},\mathbf{\Omega},E) = \\
+    & \int_0^\infty d E^\prime \int_{4\pi} d \Omega^{\prime} \Sigma_s(\mathbf{r},\mathbf{\Omega}^\prime \rightarrow \mathbf{\Omega}, E^\prime \rightarrow E) \psi(\mathbf{r},\mathbf{\Omega}^\prime, E^\prime) \\
+    & + \frac{\chi(\mathbf{r}, E)}{4\pi k_{eff}} \int_0^\infty dE^\prime \nu \Sigma_f(\mathbf{r},E^\prime) \int_{4\pi}d \Omega^\prime \psi(\mathbf{r},\mathbf{\Omega}^\prime,E^\prime)
+    \end{align*}
+
+In Equation :eq:`transport`, :math:`\psi` is the angular neutron flux. This
+parameter represents the total distance traveled by all neutrons in a particular
+direction inside of a control volume per second, and is often given in units of
+:math:`1/(\text{cm}^{2} \text{s})`. As OpenMC does not support time dependence
+in the random ray solver mode, we consider the steady state equation, where the
+units of flux become :math:`1/\text{cm}^{2}`. The angular direction unit vector,
+:math:`\mathbf{\Omega}`, represents the direction of travel for the neutron. The
+spatial position vector, :math:`\mathbf{r}`,  represents the location within the
+simulation. The neutron energy, :math:`E`, or speed in continuous space, is
+often given in units of electron volts. The total macroscopic neutron cross
+section is :math:`\Sigma_t`. This value represents the total probability of
+interaction between a neutron traveling at a certain speed (i.e., neutron energy
+:math:`E`) and a target nucleus (i.e., the material through which the neutron is
+traveling) per unit path length, typically given in units of
+:math:`1/\text{cm}`. Macroscopic cross section data is a combination of
+empirical data and quantum mechanical modeling employed in order to generate an
+evaluation represented either in pointwise form or resonance parameters for each
+target isotope of interest in a material, as well as the density of the
+material, and is provided as input to a simulation. The scattering neutron cross
+section, :math:`\Sigma_s`, is similar to the total cross section but only
+measures scattering interactions between the neutron and the target nucleus, and
+depends on the change in angle and energy the neutron experiences as a result of
+the interaction. Several additional reactions like (n,2n) and (n,3n) are
+included in the scattering transfer cross section. The fission neutron cross
+section, :math:`\Sigma_f`, is also similar to the total cross section but only
+measures the fission interaction between a neutron and a target nucleus. The
+energy spectrum for neutrons born from fission, :math:`\chi`, represents a known
+distribution of outgoing neutron energies based on the material that fissioned,
+which is taken as input data to a computation. The average number of neutrons
+born per fission is :math:`\nu`. The eigenvalue of the equation,
+:math:`k_{eff}`, represents the effective neutron multiplication factor. If the
+right hand side of Equation :eq:`transport` is condensed into a single term,
+represented by the total neutron source term :math:`Q(\mathbf{r}, \mathbf{\Omega},E)`,
+the form given in Equation :eq:`transport_simple` is reached.
+
+.. math::
+    :label: transport_simple
+
+    \overbrace{\mathbf{\Omega} \cdot \mathbf{\nabla} \psi(\mathbf{r},\mathbf{\Omega},E)}^{\text{streaming term}} + \overbrace{\Sigma_t(\mathbf{r},E) \psi(\mathbf{r},\mathbf{\Omega},E)}^{\text{absorption term}} = \overbrace{Q(\mathbf{r}, \mathbf{\Omega},E)}^{\text{total neutron source term}}
+
+Fundamentally, MOC works by solving Equation :eq:`transport_simple` along a
+single characteristic line, thus altering the full spatial and angular scope of
+the transport equation into something that holds true only for a particular
+linear path (or track) through the reactor. These tracks are linear for neutral
+particles that are not subject to field effects. With our transport equation in
+hand, we will now derive the solution along a track. To accomplish this, we
+parameterize :math:`\mathbf{r}` with respect to some reference location
+:math:`\mathbf{r}_0` such that :math:`\mathbf{r} = \mathbf{r}_0 + s\mathbf{\Omega}`. In this
+manner, Equation :eq:`transport_simple` can be rewritten for a specific segment
+length :math:`s` at a specific angle :math:`\mathbf{\Omega}` through a constant
+cross section region of the reactor geometry as in Equation :eq:`char_long`.
+
+.. math::
+    :label: char_long
+
+    \mathbf{\Omega} \cdot \mathbf{\nabla} \psi(\mathbf{r}_0 + s\mathbf{\Omega},\mathbf{\Omega},E) + \Sigma_t(\mathbf{r}_0 + s\mathbf{\Omega},E) \psi(\mathbf{r}_0 + s\mathbf{\Omega},\mathbf{\Omega},E) = Q(\mathbf{r}_0 + s\mathbf{\Omega}, \mathbf{\Omega},E)
+
+As this equation holds along a one dimensional path, we can assume the
+dependence of :math:`s` on :math:`\mathbf{r}_0` and :math:`\mathbf{\Omega}` such that
+:math:`\mathbf{r}_0 + s\mathbf{\Omega}` simplifies to :math:`s`. When the differential
+operator is also applied to the angular flux :math:`\psi`, we arrive at the
+characteristic form of the Boltzmann Neutron Transport Equation given in
+Equation :eq:`char`.
+
+.. math::
+    :label: char
+
+    \frac{d}{ds} \psi(s,\mathbf{\Omega},E) + \Sigma_t(s,E) \psi(s,\mathbf{\Omega},E) = Q(s, \mathbf{\Omega},E)
+
+An analytical solution to this characteristic equation can be achieved with the
+use of an integrating factor:
+
+.. math::
+    :label: int_factor
+
+    e^{ \int_0^s ds' \Sigma_t (s', E)}
+
+to arrive at the final form of the characteristic equation shown in Equation
+:eq:`full_char`.
+
+.. math::
+    :label: full_char
+
+    \psi(s,\mathbf{\Omega},E) = \psi(\mathbf{r}_0,\mathbf{\Omega},E) e^{-\int_0^s ds^\prime \Sigma_t(s^\prime,E)} + \int_0^s ds^{\prime\prime} Q(s^{\prime\prime},\mathbf{\Omega}, E) e^{-\int_{s^{\prime\prime}}^s ds^\prime \Sigma_t(s^\prime,E)}
+
+With this characteristic form of the transport equation, we now have an
+analytical solution along a linear path through any constant cross section
+region of a system. While the solution only holds along a linear track, no
+discretizations have yet been made.
+
+Similar to many other solution approaches to the Boltzmann neutron transport
+equation, the MOC approach also uses a "multigroup" approximation in order to
+discretize the continuous energy spectrum of neutrons traveling through the
+system into fixed set of energy groups :math:`G`, where each group :math:`g \in
+G` has its own specific cross section parameters. This makes the difficult
+non-linear continuous energy dependence much more manageable as group wise cross
+section data can be precomputed and fed into a simulation as input data. The
+computation of multigroup cross section data is not a trivial task and can
+introduce errors in the simulation. However, this is an active field of research
+common to all multigroup methods, and there are numerous generation methods
+available that are capable of reducing the biases introduced by the multigroup
+approximation. Commonly used methods include the subgroup self-shielding method
+and use of fast (unconverged) Monte Carlo simulations to produce cross section
+estimates. It is important to note that Monte Carlo methods are capable of
+treating the energy variable of the neutron continuously, meaning that they do
+not need to make this approximation and are therefore not subject to any
+multigroup errors.
+
+Following the multigroup discretization, another assumption made is that a large
+and complex problem can be broken up into small constant cross section regions,
+and that these regions have group dependent, flat, isotropic sources (fission
+and scattering), :math:`Q_g`. Anisotropic as well as higher order sources are
+also possible with MOC-based methods but are not used yet in OpenMC for
+simplicity. With these key assumptions, the multigroup MOC form of the neutron
+transport equation can be written as in Equation :eq:`moc_final`.
+
+.. math::
+    :label: moc_final
+
+    \psi_g(s, \mathbf{\Omega}) = \psi_g(\mathbf{r_0}, \mathbf{\Omega}) e^{-\int_0^s ds^\prime \Sigma_{t_g}(s^\prime)} + \int_0^s ds^{\prime\prime} Q_g(s^{\prime\prime},\mathbf{\Omega}) e^{-\int_{s^{\prime\prime}}^s ds^\prime \Sigma_{t_g}(s^\prime)}
+
+The CSG definition of the system is used to create spatially defined source
+regions (each region being denoted as :math:`i`). These neutron source regions
+are often approximated as being constant
+(flat) in source intensity but can also be defined using a higher order source
+(linear, quadratic, etc.) that allows for fewer source regions to be required to
+achieve a specified solution fidelity. In OpenMC, the approximation of a
+spatially constant isotropic fission and scattering source :math:`Q_{i,g}` in
+cell :math:`i` leads
+to simple exponential attenuation along an individual characteristic of length
+:math:`s` given by Equation :eq:`fsr_attenuation`.
+
+.. math::
+    :label: fsr_attenuation
+
+    \psi_g(s) = \psi_g(0) e^{-\Sigma_{t,i,g} s} + \frac{Q_{i,g}}{\Sigma_{t,i,g}} \left( 1 - e^{-\Sigma_{t,i,g} s} \right)
+
+For convenience, we can also write this equation in terms of the incoming and
+outgoing angular flux (:math:`\psi_g^{in}` and :math:`\psi_g^{out}`), and
+consider a specific tracklength for a particular ray :math:`r` crossing cell
+:math:`i` as :math:`\ell_r`, as in:
+
+.. math::
+    :label: fsr_attenuation_in_out
+
+    \psi_g^{out} = \psi_g^{in} e^{-\Sigma_{t,i,g} \ell_r} + \frac{Q_{i,g}}{\Sigma_{t,i,g}} \left( 1 - e^{-\Sigma_{t,i,g} \ell_r} \right) .
+
+We can then define the average angular flux of a single ray passing through the
+cell as:
+
+.. math::
+    :label: average
+
+    \overline{\psi}_{r,i,g} = \frac{1}{\ell_r} \int_0^{\ell_r} \psi_{g}(s)ds .
+
+We can then substitute in Equation :eq:`fsr_attenuation` and solve, resulting
+in:
+
+.. math::
+    :label: average_solved
+
+    \overline{\psi}_{r,i,g} = \frac{Q_{i,g}}{\Sigma_{t,i,g}} - \frac{\psi_{r,g}^{out} - \psi_{r,g}^{in}}{\ell_r \Sigma_{t,i,g}} .
+
+By rearranging Equation :eq:`fsr_attenuation_in_out`, we can then define
+:math:`\Delta \psi_{r,g}` as the change in angular flux for ray :math:`r`
+passing through region :math:`i` as:
+
+.. math::
+    :label: delta_psi
+
+    \Delta \psi_{r,g} = \psi_{r,g}^{in} - \psi_{r,g}^{out} = \left(\psi_{r,g}^{in} - \frac{Q_{i,g}}{\Sigma_{t,i,g}} \right) \left( 1 - e^{-\Sigma_{t,i,g} \ell_r} \right) .
+
+Equation :eq:`delta_psi` is a useful expression as it is easily computed with
+the known inputs for a ray crossing through the region.
+
+By substituting :eq:`delta_psi` into :eq:`average_solved`, we can arrive at a
+final expression for the average angular flux for a ray crossing a region as:
+
+.. math::
+    :label: average_psi_final
+
+    \overline{\psi}_{r,i,g} = \frac{Q_{i,g}}{\Sigma_{t,i,g}} + \frac{\Delta \psi_{r,g}}{\ell_r \Sigma_{t,i,g}}
+
+~~~~~~~~~~~
+Random Rays
+~~~~~~~~~~~
+
+In the previous subsection, the governing characteristic equation along a 1D
+line through the system was written, such that an analytical solution for the
+ODE can be computed. If enough characteristic tracks (ODEs) are solved, then the
+behavior of the governing PDE can be numerically approximated. In traditional
+deterministic MOC, the selection of tracks is chosen deterministically, where
+azimuthal and polar quadratures are defined along with even track spacing in
+three dimensions. This is the point at which random ray diverges from
+deterministic MOC numerically. In the random ray method, rays are randomly
+sampled from a uniform distribution in space and angle and tracked along a
+predefined distance through the geometry before terminating. **Importantly,
+different rays are sampled each power iteration, leading to a fully stochastic
+convergence process.** This results in a need to utilize both inactive and
+active batches as in the Monte Carlo method.
+
+While Monte Carlo implicitly converges the scattering source fully within each
+iteration, random ray (and MOC) solvers are not typically written to fully
+converge the scattering source within a single iteration. Rather, both the
+fission and scattering sources are updated each power iteration, thus requiring
+enough outer iterations to reach a stationary distribution in both the fission
+source and scattering source. So, even in a low dominance ratio problem like a
+2D pincell, several hundred inactive batches may still be required with random
+ray to allow the scattering source to fully develop, as neutrons undergoing
+hundreds of scatters may constitute a non-trivial contribution to the fission
+source. We note that use of a two-level second iteration scheme is sometimes
+used by some MOC or random ray solvers so as to fully converge the scattering
+source with many inner iterations before updating the fission source in the
+outer iteration. It is typically more efficient to use the single level
+iteration scheme, as there is little reason to spend so much work converging the
+scattering source if the fission source is not yet converged.
+
+Overall, the difference in how random ray and Monte Carlo converge the
+scattering source means that in practice, random ray typically requires more
+inactive iterations than are required in Monte Carlo. While a Monte Carlo
+simulation may need 100 inactive iterations to reach a stationary source
+distribution for many problems, a random ray solve will likely require 1,000
+iterations or more. Source convergence metrics (e.g., Shannon entropy) are thus
+recommended when performing random ray simulations to ascertain when the source
+has fully developed.
+
+~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+Converting Angular Flux to Scalar Flux
+~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+
+Thus far in our derivation, we have been able to write analytical equations that
+solve for the change in angular flux of a ray crossing a flat source region
+(Equation :eq:`delta_psi`) as well as the ray's average angular flux through
+that region (Equation :eq:`average_psi_final`). To determine the source for the
+next power iteration, we need to assemble our estimates of angular fluxes from
+all the sampled rays into scalar fluxes within each FSR.
+
+We can define the scalar flux in region :math:`i` as:
+
+.. math::
+    :label: integral
+
+    \phi_i = \frac{\int_{V_i} \int_{4\pi} \psi(r, \Omega) d\Omega d\mathbf{r}}{\int_{V_i} d\mathbf{r}} .
+
+The integral in the numerator:
+
+.. math::
+    :label: numerator
+
+    \int_{V_i} \int_{4\pi} \psi(r, \Omega) d\Omega d\mathbf{r} .
+
+is not known analytically, but with random ray, we are going the numerically
+approximate it by discretizing over a finite number of tracks (with a finite
+number of locations and angles) crossing the domain. We can then use the
+characteristic method to determine the total angular flux along that line.
+
+Conceptually, this can be thought of as taking a volume-weighted sum of angular
+fluxes for all :math:`N_i` rays that happen to pass through cell :math:`i` that
+iteration. When written in discretized form (with the discretization happening
+in terms of individual ray segments :math:`r` that pass through region
+:math:`i`), we arrive at:
+
+.. math::
+    :label: discretized
+
+    \phi_{i,g} = \frac{\int_{V_i} \int_{4\pi} \psi(r, \Omega) d\Omega d\mathbf{r}}{\int_{V_i} d\mathbf{r}} = \overline{\overline{\psi}}_{i,g} \approx \frac{\sum\limits_{r=1}^{N_i} \ell_r w_r \overline{\psi}_{r,i,g}}{\sum\limits_{r=1}^{N_i} \ell_r w_r} .
+
+Here we introduce the term :math:`w_r`, which represents the "weight" of the ray
+(its 2D area), such that the volume that a ray is responsible for can be
+determined by multiplying its length :math:`\ell` by its weight :math:`w`. As
+the scalar flux vector is a shape function only, we are actually free to
+multiply all ray weights :math:`w` by any constant such that the overall shape
+is still maintained, even if the magnitude of the shape function changes. Thus,
+we can simply set :math:`w_r` to be unity for all rays, such that:
+
+.. math::
+    :label: weights
+
+    \text{Volume of cell } i = V_i \approx \sum\limits_{r=1}^{N_i} \ell_r w_r = \sum\limits_{r=1}^{N_i} \ell_r .
+
+We can then rewrite our discretized equation as:
+
+.. math::
+    :label: discretized_2
+
+    \phi_{i,g} \approx \frac{\sum\limits_{r=1}^{N_i} \ell_r w_r \overline{\psi}_{r,i,g}}{\sum\limits_{r=1}^{N_i} \ell_r w_r} = \frac{\sum\limits_{r=1}^{N_i} \ell_r \overline{\psi}_{r,i,g}}{\sum\limits_{r=1}^{N_i} \ell_r} .
+
+Thus, the scalar flux can be inferred if we know the volume weighted sum of the
+average angular fluxes that pass through the cell. Substituting
+:eq:`average_psi_final` into :eq:`discretized_2`, we arrive at:
+
+.. math::
+    :label: scalar_full
+
+    \phi_{i,g} = \frac{\int_{V_i} \int_{4\pi} \psi(r, \Omega) d\Omega d\mathbf{r}}{\int_{V_i} d\mathbf{r}} = \overline{\overline{\psi}}_{i,g} = \frac{\sum\limits_{r=1}^{N_i} \ell_r \overline{\psi}_{r,i,g}}{\sum\limits_{r=1}^{N_i} \ell_r} = \frac{\sum\limits_{r=1}^{N_i} \ell_r \frac{Q_{i,g}}{\Sigma_{t,i,g}} + \frac{\Delta \psi_{r,g}}{\ell_r \Sigma_{t,i,g}}}{\sum\limits_{r=1}^{N_i} \ell_r},
+
+which when partially simplified becomes:
+
+.. math::
+    :label: scalar_four_vols
+
+    \phi =  \frac{Q_{i,g} \sum\limits_{r=1}^{N_i} \ell_r}{\Sigma_{t,i,g} \sum\limits_{r=1}^{N_i} \ell_r} + \frac{\sum\limits_{r=1}^{N_i} \ell_r \frac{\Delta \psi_i}{\ell_r}}{\Sigma_{t,i,g} \sum\limits_{r=1}^{N_i} \ell_r} .
+
+Note that there are now four (seemingly identical) volume terms in this equation.
+
+~~~~~~~~~~~~~~
+Volume Dilemma
+~~~~~~~~~~~~~~
+
+At first glance, Equation :eq:`scalar_four_vols` appears ripe for cancellation
+of terms. Mathematically, such cancellation allows us to arrive at the following
+"naive" estimator for the scalar flux:
+
+.. math::
+    :label: phi_naive
+
+    \phi_{i,g}^{naive} = \frac{Q_{i,g} }{\Sigma_{t,i,g}} + \frac{\sum\limits_{r=1}^{N_i} \Delta \psi_{r,g}}{\Sigma_{t,i,g} \sum\limits_{r=1}^{N_i} \ell_r} .
+
+This derivation appears mathematically sound at first glance but unfortunately
+raises a serious issue as discussed in more depth by `Tramm et al.
+<Tramm-2020>`_ and `Cosgrove and Tramm <Cosgrove-2023>`_. Namely, the second
+term:
+
+.. math::
+    :label: ratio_estimator
+
+     \frac{\sum\limits_{r=1}^{N_i} \Delta \psi_{r,g}}{\Sigma_{t,i,g} \sum\limits_{r=1}^{N_i} \ell_r}
+
+features stochastic variables (the sums over random ray lengths and angular
+fluxes) in both the numerator and denominator, making it a stochastic ratio
+estimator, which is inherently biased. In practice, usage of the naive estimator
+does result in a biased, but "consistent"  estimator (i.e., it is biased, but
+the bias tends towards zero as the sample size increases). Experimentally, the
+right answer can be obtained with this estimator, though a very fine ray density
+is required to eliminate the bias.
+
+How might we solve the biased ratio estimator problem? While there is no obvious
+way to alter the numerator term (which arises from the characteristic
+integration approach itself), there is potentially more flexibility in how we
+treat the stochastic term in the denominator, :math:`\sum\limits_{r=1}^{N_i}
+\ell_r` . From Equation :eq:`weights` we know that this term can be directly
+inferred from the volume of the problem, which does not actually change between
+iterations. Thus, an alternative treatment for this "volume" term in the
+denominator is to replace the actual stochastically sampled total track length
+with the expected value of the total track length. For instance, if the true
+volume of the FSR is known (as is the total volume of the full simulation domain
+and the total tracklength used for integration that iteration), then we know the
+true expected value of the tracklength in that FSR. That is, if a FSR accounts
+for 2% of the overall volume of a simulation domain, then we know that the
+expected value of tracklength in that FSR will be 2% of the total tracklength
+for all rays that iteration. This is a key insight, as it allows us to the
+replace the actual tracklength that was accumulated inside that FSR each
+iteration with the expected value.
+
+If we know the analytical volumes, then those can be used to directly compute
+the expected value of the tracklength in each cell. However, as the analytical
+volumes are not typically known in OpenMC due to the usage of user-defined
+constructive solid geometry, we need to source this quantity from elsewhere. An
+obvious choice is to simply accumulate the total tracklength through each FSR
+across all iterations (batches) and to use that sum to compute the expected
+average length per iteration, as:
+
+.. math::
+    :label: sim_estimator
+
+       \sum\limits^{}_{i} \ell_i \approx \frac{\sum\limits^{B}_{b}\sum\limits^{N_i}_{r} \ell_{b,r} }{B}
+
+where :math:`b` is a single batch in :math:`B` total batches simulated so far.
+
+In this manner, the expected value of the tracklength will become more refined
+as iterations continue, until after many iterations the variance of the
+denominator term becomes trivial compared to the numerator term, essentially
+eliminating the presence of the stochastic ratio estimator. A "simulation
+averaged" estimator is therefore:
+
+.. math::
+    :label: phi_sim
+
+    \phi_{i,g}^{simulation} = \frac{Q_{i,g} }{\Sigma_{t,i,g}} + \frac{\sum\limits_{r=1}^{N_i} \Delta \psi_{r,g}}{\Sigma_{t,i,g} \frac{\sum\limits^{B}_{b}\sum\limits^{N_i}_{r} \ell_{b,r} }{B}}
+
+In practical terms, the "simulation averaged" estimator is virtually
+indistinguishable numerically from use of the true analytical volume to estimate
+this term. Note also that the term "simulation averaged" refers only to the
+volume/length treatment, the scalar flux estimate itself is computed fully again
+each iteration.
+
+There are some drawbacks to this method. Recall, this denominator volume term
+originally stemmed from taking a volume weighted integral of the angular flux,
+in which case the denominator served as a normalization term for the numerator
+integral in Equation :eq:`integral`. Essentially, we have now used a different
+term for the volume in the numerator as compared to the normalizing volume in
+the denominator. The inevitable mismatch (due to noise) between these two
+quantities results in a significant increase in variance. Notably, the same
+problem occurs if using a tracklength estimate based on the analytical volume,
+as again the numerator integral and the normalizing denominator integral no
+longer match on a per-iteration basis.
+
+In practice, the simulation averaged method does completely remove the bias,
+though at the cost of a notable increase in variance. Empirical testing reveals
+that on most problems, the simulation averaged estimator does win out overall in
+numerical performance, as a much coarser quadrature can be used resulting in
+faster runtimes overall. Thus, OpenMC uses the simulation averaged estimator in
+its random ray mode.
+
+~~~~~~~~~~~~~~~
+Power Iteration
+~~~~~~~~~~~~~~~
+
+Given a starting source term, we now have a way of computing an estimate of the
+scalar flux in each cell by way of transporting rays randomly through the
+domain, recording the change in angular flux for the rays into each cell as they
+make their traversals, and summing these contributions up as in Equation
+:eq:`phi_sim`. How then do we turn this into an iterative process such that we
+improve the estimate of the source and scalar flux over many iterations, given
+that our initial starting source will just be a guess?
+
+The source :math:`Q^{n}` for iteration :math:`n` can be inferred
+from the scalar flux from the previous iteration :math:`n-1` as:
+
+.. math::
+    :label: source_update
+
+    Q^{n}(i, g) = \frac{\chi}{k^{n-1}_{eff}} \nu \Sigma_f(i, g) \phi^{n-1}(g) + \sum\limits^{G}_{g'} \Sigma_{s}(i,g,g') \phi^{n-1}(g')
+
+where :math:`Q^{n}(i, g)` is the total source (fission + scattering) in region
+:math:`i` and energy group :math:`g`. Notably, the in-scattering source in group
+:math:`g` must be computed by summing over the contributions from all groups
+:math:`g' \in G`.
+
+In a similar manner, the eigenvalue for iteration :math:`n` can be computed as:
+
+.. math::
+    :label: eigenvalue_update
+
+    k^{n}_{eff} = k^{n-1}_{eff} \frac{F^n}{F^{n-1}},
+
+where the total spatial- and energy-integrated fission rate :math:`F^n` in
+iteration :math:`n` can be computed as:
+
+.. math::
+    :label: fission_source
+
+    F^n = \sum\limits^{M}_{i} \left( V_i \sum\limits^{G}_{g} \nu \Sigma_f(i, g) \phi^{n}(g) \right)
+
+where :math:`M` is the total number of FSRs in the simulation. Similarly, the
+total spatial- and energy-integrated fission rate :math:`F^{n-1}` in iteration
+:math:`n-1` can be computed as:
+
+.. math::
+    :label: fission_source_prev
+
+    F^{n-1} = \sum\limits^{M}_{i} \left( V_i \sum\limits^{G}_{g} \nu \Sigma_f(i, g) \phi^{n-1}(g) \right)
+
+Notably, the volume term :math:`V_i` appears in the eigenvalue update equation.
+The same logic applies to the treatment of this term as was discussed earlier.
+In OpenMC, we use the "simulation averaged" volume derived from summing over all
+ray tracklength contributions to a FSR over all iterations and dividing by the
+total integration tracklength to date. Thus, Equation :eq:`fission_source`
+becomes:
+
+.. math::
+    :label: fission_source_volumed
+
+    F^n = \sum\limits^{M}_{i} \left( \frac{\sum\limits^{B}_{b}\sum\limits^{N_i}_{r} \ell_{b,r} }{B} \sum\limits^{G}_{g} \nu \Sigma_f(i, g) \phi^{n}(g) \right)
+
+and a similar substitution can be made to update Equation
+:eq:`fission_source_prev` . In OpenMC, the most up-to-date version of the volume
+estimate is used, such that the total fission source from the previous iteration
+(:math:`n-1`) is also recomputed each iteration.
+
+~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+Ray Starting Conditions and Inactive Length
+~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+
+Another key area of divergence between deterministic MOC and random ray is the
+starting conditions for rays. In deterministic MOC, the angular flux spectrum
+for rays are stored at any reflective or periodic boundaries so as to provide a
+starting condition for the next iteration. As there are many tracks, storage of
+angular fluxes can become costly in terms of memory consumption unless there are
+only vacuum boundaries present.
+
+In random ray, as the starting locations of rays are sampled anew each
+iteration, the initial angular flux spectrum for the ray is unknown. While a
+guess can be made by taking the isotropic source from the FSR the ray was
+sampled in, direct usage of this quantity would result in significant bias and
+error being imparted on the simulation.
+
+Thus, an `on-the-fly approximation method <Tramm-2017a>`_ was developed (known
+as the "dead zone"), where the first several mean free paths of a ray are
+considered to be "inactive" or "read only". In this sense, the angular flux is
+solved for using the MOC equation, but the ray does not "tally" any scalar flux
+back to the FSRs that it travels through. After several mean free paths have
+been traversed, the ray's angular flux spectrum typically becomes dominated by
+the accumulated source terms from the cells it has traveled through, while the
+(incorrect) starting conditions have been attenuated away. In the animation in
+the :ref:`introductory section on this page <methods_random_ray_intro>`, the
+yellow portion of the ray lengths is the dead zone. As can be seen in this
+animation, the tallied :math:`\sum\limits_{r=1}^{N_i} \Delta \psi_{r,g}` term
+that is plotted is not affected by the ray when the ray is within its inactive
+length. Only when the ray enters its active mode does the ray contribute to the
+:math:`\sum\limits_{r=1}^{N_i} \Delta \psi_{r,g}` sum for the iteration.
+
+~~~~~~~~~~~~~~~~~~~~~
+Ray Ending Conditions
+~~~~~~~~~~~~~~~~~~~~~
+
+To ensure that a uniform density of rays is integrated in space and angle
+throughout the simulation domain, after exiting the initial inactive "dead zone"
+portion of the ray, the rays are run for a user-specified distance. Typically, a
+choice of at least several times the length of the inactive "dead zone" is made
+so as to amortize the cost of the dead zone. For example, if a dead zone of 30
+cm is selected, then an active length of 300 cm might be selected so that the
+cost of the dead zone is at most 10% of the overall runtime.
+
+--------------------
+Simplified Algorithm
+--------------------
+
+A simplified set of functions that execute a single random ray power iteration
+are given below. Not all global variables are defined in this illustrative
+example, but the high level components of the algorithm are shown. A number of
+significant simplifications are made for clarity---for example, no inactive
+"dead zone" length is shown, geometry operations are abstracted, no parallelism
+(or thread safety) is expressed, a naive exponential treatment is used, and rays
+are not halted at their exact termination distances, among other subtleties.
+Nonetheless, the below algorithms may be useful for gaining intuition on the
+basic components of the random ray process. Rather than expressing the algorithm
+in abstract pseudocode, C++ is used to make the control flow easier to
+understand.
+
+The first block below shows the logic for a single power iteration (batch):
+
+.. code-block:: C++
+
+    double power_iteration(double k_eff) {
+
+        // Update source term (scattering + fission)
+        update_neutron_source(k_eff);
+
+        // Reset scalar fluxes to zero
+        fill<float>(global::scalar_flux_new, 0.0f);
+
+        // Transport sweep over all random rays for the iteration
+        for (int i = 0; i < nrays; i++) {
+            RandomRay ray;
+            initialize_ray(ray);
+            transport_single_ray(ray);
+        }
+
+        // Normalize scalar flux and update volumes
+        normalize_scalar_flux_and_volumes();
+
+        // Add source to scalar flux, compute number of FSR hits
+        add_source_to_scalar_flux();
+
+        // Compute k-eff using updated scalar flux
+        k_eff = compute_k_eff(k_eff);
+
+        // Set phi_old = phi_new
+        global::scalar_flux_old.swap(global::scalar_flux_new);
+
+        return k_eff;
+    }
+
+The second function shows the logic for transporting a single ray within the
+transport loop:
+
+.. code-block:: C++
+
+    void transport_single_ray(RandomRay& ray) {
+
+        // Reset distance to zero
+        double distance = 0.0;
+
+        // Continue transport of ray until active length is reached
+        while (distance < user_setting::active_length) {
+            // Ray trace to find distance to next surface (i.e., segment length)
+            double s = distance_to_nearest_boundary(ray);
+
+            // Attenuate flux (and accumulate source/attenuate) on segment
+            attenuate_flux(ray, s);
+
+            // Advance particle to next surface
+            ray.location = ray.location + s * ray.direction;
+
+            // Move ray across the surface
+            cross_surface(ray);
+
+            // Add segment length "s" to total distance traveled
+            distance += s;
+        }
+    }
+
+The final function below shows the logic for solving for the characteristic MOC
+equation (and accumulating the scalar flux contribution of the ray into the
+scalar flux value for the FSR).
+
+.. code-block:: C++
+
+    void attenuate_flux(RandomRay& ray, double s) {
+
+        // Determine which flat source region (FSR) the ray is currently in
+        int fsr = get_fsr_id(ray.location);
+
+        // Determine material type
+        int material = get_material_type(fsr);
+
+        // MOC incoming flux attenuation + source contribution/attenuation equation
+         for (int e = 0; e < global::n_energy_groups; e++) {
+            float sigma_t = global::macro_xs[material].total;
+            float tau = sigma_t * s;
+            float delta_psi = (ray.angular_flux[e] - global::source[fsr][e] / sigma_t) * (1 - exp(-tau));
+            ray.angular_flux_[e] -= delta_psi;
+            global::scalar_flux_new[fsr][e] += delta_psi;
+        }
+
+        // Record total tracklength in this FSR (to compute volume)
+        global::volume[fsr] += s;
+    }
+
+------------------------
+How are Tallies Handled?
+------------------------
+
+Most tallies, filters, and scores that you would expect to work with a
+multigroup solver like random ray should work. For example, you can define 3D
+mesh tallies with energy filters and flux, fission, and nu-fission scores, etc.
+There are some restrictions though. For starters, it is assumed that all filter
+mesh boundaries will conform to physical surface boundaries (or lattice
+boundaries) in the simulation geometry. It is acceptable for multiple cells
+(FSRs) to be contained within a filter mesh cell (e.g., pincell-level or
+assembly-level tallies should work), but it is currently left as undefined
+behavior if a single simulation cell is able to score to multiple filter mesh
+cells. In the future, the capability to fully support mesh tallies may be added
+to OpenMC, but for now this restriction needs to be respected.
+
+---------------------------
+Fundamental Sources of Bias
+---------------------------
+
+Compared to continuous energy Monte Carlo simulations, the known sources of bias
+in random ray particle transport are:
+
+    - **Multigroup Energy Discretization:** The multigroup treatment of flux and
+      cross sections incurs a significant bias, as a reaction rate (:math:`R_g =
+      V \phi_g \Sigma_g`) for an energy group :math:`g` can only be conserved
+      for a given choice of multigroup cross section :math:`\Sigma_g` if the
+      flux (:math:`\phi_g`) is known a priori. If the flux was already known,
+      then there would be no point to the simulation, resulting in a fundamental
+      need for approximating this quantity. There are numerous methods for
+      generating relatively accurate multigroup cross section libraries that can
+      each be applied to a narrow design area reliably, although there are
+      always limitations and/or complexities that arise with a multigroup energy
+      treatment. This is by far the most significant source of simulation bias
+      between Monte Carlo and random ray for most problems. While the other
+      areas typically have solutions that are highly effective at mitigating
+      bias, error stemming from multigroup energy discretization is much harder
+      to remedy.
+    - **Flat Source Approximation:**. In OpenMC, a "flat" (0th order) source
+      approximation is made, wherein the scattering and fission sources within a
+      cell are assumed to be spatially uniform. As the source in reality is a
+      continuous function, this leads to bias, although the bias can be reduced
+      to acceptable levels if the flat source regions are sufficiently small.
+      The bias can also be mitigated by assuming a higher-order source (e.g.,
+      linear or quadratic), although OpenMC does not yet have this capability.
+      In practical terms, this source of bias can become very large if cells are
+      large (with dimensions beyond that of a typical particle mean free path),
+      but the subdivision of cells can often reduce this bias to trivial levels.
+    - **Anisotropic Source Approximation:** In OpenMC, the source is not only
+      assumed to be flat but also isotropic, leading to bias. It is possible for
+      MOC (and likely random ray) to treat anisotropy explicitly, but this is
+      not currently supported in OpenMC. This source of bias is not significant
+      for some problems, but becomes more problematic for others. Even in the
+      absence of explicit treatment of anistropy, use of transport-corrected
+      multigroup cross sections can often mitigate this bias, particularly for
+      light water reactor simulation problems.
+    - **Angular Flux Initial Conditions:** Each time a ray is sampled, its
+      starting angular flux is unknown, so a guess must be made (typically the
+      source term for the cell it starts in). Usage of an adequate inactive ray
+      length (dead zone) mitigates this error. As the starting guess is
+      attenuated at a rate of :math:`\exp(-\Sigma_t \ell)`, this bias can driven
+      below machine precision in a low cost manner on many problems.
+
+.. _Tramm-2017a: https://doi.org/10.1016/j.jcp.2017.04.038
+.. _Tramm-2017b: https://doi.org/10.1016/j.anucene.2017.10.015
+.. _Tramm-2018: https://dspace.mit.edu/handle/1721.1/119038
+.. _Tramm-2020: https://doi.org/10.1051/EPJCONF/202124703021
+.. _Cosgrove-2023: https://doi.org/10.1080/00295639.2023.2270618
+
+.. only:: html
+
+   .. rubric:: References
+
+.. [Askew-1972] Askew, “A Characteristics Formulation of the Neutron Transport
+    Equation in Complicated Geometries.” Technical Report AAEW-M 1108, UK Atomic
+    Energy Establishment (1972).
diff --git a/docs/source/usersguide/data.rst b/docs/source/usersguide/data.rst
index 48003ecb7..6af297338 100644
--- a/docs/source/usersguide/data.rst
+++ b/docs/source/usersguide/data.rst
@@ -279,6 +279,8 @@ The `official ENDF/B-VII.1 HDF5 library
 multipole library, so if you are using this library, the windowed multipole data
 will already be available to you.
 
+.. _create_mgxs:
+
 -------------------------
 Multigroup Cross Sections
 -------------------------
diff --git a/docs/source/usersguide/index.rst b/docs/source/usersguide/index.rst
index 511bdc6ce..03a77e870 100644
--- a/docs/source/usersguide/index.rst
+++ b/docs/source/usersguide/index.rst
@@ -25,4 +25,6 @@ essential aspects of using OpenMC to perform simulations.
     processing
     parallel
     volume
+    random_ray
     troubleshoot
+    
\ No newline at end of file
diff --git a/docs/source/usersguide/random_ray.rst b/docs/source/usersguide/random_ray.rst
new file mode 100644
index 000000000..dad86c826
--- /dev/null
+++ b/docs/source/usersguide/random_ray.rst
@@ -0,0 +1,480 @@
+.. _random_ray:
+
+=================
+Random Ray Solver
+=================
+
+In general, the random ray solver mode uses most of the same settings and
+:ref:`run strategies <usersguide_particles>` as the standard Monte Carlo solver
+mode. For instance, random ray solves are also split up into :ref:`inactive and
+active batches <usersguide_batches>`. However, there are a couple of settings
+that are unique to the random ray solver and a few areas that the random ray
+run strategy differs, both of which will be described in this section.
+
+------------------------
+Enabling Random Ray Mode
+------------------------
+
+To utilize the random ray solver, the :attr:`~openmc.Settings.random_ray`
+dictionary must be present in the :class:`openmc.Settings` Python class. There
+are a number of additional settings that must be specified within this
+dictionary that will be discussed below. Additionally, the "multi-group" energy
+mode must be specified.
+
+-------
+Batches
+-------
+
+In Monte Carlo simulations, inactive batches are used to let the fission source
+develop into a stationary distribution before active batches are performed that
+actually accumulate statistics. While this is true of random ray as well, in the
+random ray mode the inactive batches are also used to let the scattering source
+develop. Monte Carlo fully represents the scattering source within each
+iteration (by its nature of fully simulating particles from birth to death
+through any number of physical scattering events), whereas the scattering source
+in random ray can only represent as many scattering events as batches have been
+completed. For example, by iteration 10 in random ray, the scattering source
+only captures the behavior of neutrons through their 10th scattering event.
+Thus, while inactive batches are only required in an eigenvalue solve in Monte
+Carlo, **inactive batches are required for both eigenvalue and fixed source
+solves in random ray mode** due to this additional need to converge the
+scattering source.
+
+The additional burden of converging the scattering source generally results in a
+higher requirement for the number of inactive batches---often by an order of
+magnitude or more. For instance, it may be reasonable to only use 50 inactive
+batches for a light water reactor simulation with Monte Carlo, but random ray
+might require 500 or more inactive batches. Similar to Monte Carlo,
+:ref:`Shannon entropy <usersguide_entropy>` can be used to gauge whether the
+combined scattering and fission source has fully developed.
+
+Similar to Monte Carlo, active batches are used in the random ray solver mode to
+accumulate and converge statistics on unknown quantities (i.e., the random ray
+sources, scalar fluxes, as well as any user-specified tallies).
+
+The batch parameters are set in the same manner as with the regular Monte Carlo
+solver::
+
+    settings = openmc.Settings()
+    settings.energy_mode = "multi-group"
+    settings.batches = 1200
+    settings.inactive = 600
+
+-------------------------------
+Inactive Ray Length (Dead Zone)
+-------------------------------
+
+A major issue with random ray is that the starting angular flux distribution for
+each sampled ray is unknown. Thus, an on-the-fly method is used to build a high
+quality approximation of the angular flux of the ray each iteration. This is
+accomplished by running the ray through an inactive length (also known as a dead
+zone length), where the ray is moved through the geometry and its angular flux
+is solved for via the normal :ref:`MOC <methods_random_ray_intro>` equation, but
+no information is written back to the system. Thus, the ray is run in a "read
+only" mode for the set inactive length. This parameter can be adjusted, in units
+of cm, as::
+
+    settings.random_ray['distance_inactive'] = 40.0
+
+After several mean free paths are traversed, the angular flux spectrum of the
+ray becomes dominated by the in-scattering and fission source components that it
+picked up when travelling through the geometry, while its original (incorrect)
+starting angular flux is attenuated toward zero. Thus, longer selections of
+inactive ray length will asymptotically approach the true angular flux.
+
+In practice, 10 mean free paths are sufficient (with light water reactors often
+requiring only about 10--50 cm of inactive ray length for the error to become
+undetectable). However, we caution that certain models with large quantities of
+void regions (even if just limited to a few streaming channels) may require
+significantly longer inactive ray lengths to ensure that the angular flux is
+accurate before the conclusion of the inactive ray length. Additionally,
+problems where a sensitive estimate of the uncollided flux is required (e.g.,
+the detector response to fast neutrons is required, and the detected is located
+far away from the source in a moderator region) may require the user to specify
+an inactive length that is derived from the pyhsical geometry of the simulation
+problem rather than its material properties. For instance, consider a detector
+placed 30 cm outside of a reactor core, with a moderator region separating the
+detector from the core. In this case, rays sampled in the moderator region and
+heading toward the detector will begin life with a highly scattered thermal
+spectrum and will have an inaccurate fast spectrum. If the dead zone length is
+only 20 cm, we might imagine such rays writing to the detector tally within
+their active lengths, despite their innaccurate estimate of the uncollided fast
+angular flux. Thus, an inactive length of 100--200 cm would ensure that any such
+rays would still be within their inactive regions, and only rays that have
+actually traversed through the core (and thus have an accurate representation of
+the core's emitted fast flux) will score to the detector region while in their
+active phase.
+
+
+------------------------------------
+Active Ray Length and Number of Rays
+------------------------------------
+
+Once the inactive length of the ray has completed, the active region of the ray
+begins. The ray is now run in regular mode, where changes in angular flux as it
+traverses through each flat source region are written back to the system, so as
+to contribute to the estimate for the iteration scalar flux (which is used to
+compute the source for the next iteration). The active ray length can be
+adjusted, in units of [cm], as::
+
+    settings.random_ray['distance_active'] = 400.0
+
+Assuming that a sufficient inactive ray length is used so that the starting
+angular flux is highly accurate, any selection of active length greater than
+zero is theoretically acceptable. However, in order to adequately sample the
+full integration domain, a selection of a very short track length would require
+a very high number of rays to be selected. Due to the static costs per ray of
+computing the starting angular flux in the dead zone, typically very short ray
+lengths are undesireable. Thus, to amortize the per-ray cost of the inactive
+region of the ray, it is desirable to select a very long inactive ray length.
+For example, if the inactive length is set to 20 cm, a 200 cm active ray length
+ensures that only about 10% of the overall simulation runtime is spent in the
+inactive ray phase integration, making the dead zone a relatively inexpensive
+way of estimating the angular flux.
+
+Thus, to fully amortize the cost of the dead zone integration, one might ask why
+not simply run a single ray per iteration with an extremely long active length?
+While this is also theoretically possible, this results in two issues. The first
+problem is that each ray only represents a single angular sample. As we want to
+sample the angular phase space of the simulation with similar fidelity to the
+spatial phase space, we naturally want a lot of angles. This means in practice,
+we want to balance the need to amortize the cost of the inactive region of the
+ray with the need to sample lots of angles. The second problem is that
+parallelism in OpenMC is expressed in terms of rays, with each being processed
+by an independent MPI rank and/or OpenMP thread, thus we want to ensure each
+thread has many rays to process.
+
+In practical terms, the best strategy is typically to set an active ray length
+that is about 10 times that of the inactive ray length. This is often the right
+balance between ensuring not too much time is spent in the dead zone, while
+still adequately sampling the angular phase space. However, as discussed in the
+previous section, some types of simulation may demand that additional thought be
+applied to this parameter. For instance, in the same example where we have a
+detector region far outside a reactor core, we want to make sure that there is
+enough active ray length that rays exiting the core can reach the detector
+region. For example, if the detector were to be 30 cm outside of the core, then
+we would need to ensure that at least a few hundred cm of active length were
+used so as to ensure even rays with indirect angles will be able to reach the
+target region.
+
+The number of rays each iteration can be set by reusing the normal Monte Carlo
+particle count selection parameter, as::
+
+    settings.particles = 2000
+
+-----------
+Ray Density
+-----------
+
+In the preceding sections, it was argued that for most use cases, the inactive
+length for a ray can be determined by taking a multiple of the mean free path
+for the limiting energy group. The active ray length could then be set by taking
+a multiple of the inactive length. With these parameters set, how many rays per
+iteration should be run?
+
+There are three basic settings that control the density of the stochastic
+quadrature being used to integrate the domain each iteration. These three
+variables are:
+
+- The number of rays (in OpenMC settings parlance, "particles")
+- The inactive distance per ray
+- The active distance per ray
+
+While the inactive and active ray lengths can usually be chosen by simply
+examining the geometry, tallies, and cross section data, one has much more
+flexibility in the choice of the number of rays to run. Consider a few
+scenarios:
+
+- If a choice of zero rays is made, then no information is gained by the system
+  after each batch.
+- If a choice of rays close to zero is made, then some information is gained
+  after each batch, but many source regions may not have been visited that
+  iteration, which is not ideal numerically and can result in instability.
+  Empirically, we have found that the simulation can remain stable and produce
+  accurate results even when on average 20% or more of the cells have zero rays
+  passing through them each iteration. However, besides the cost of transporting
+  rays, a new neutron source must be computed based on the scalar flux at each
+  iteration. This cost is dictated only by the number of source regions and
+  energy groups---it is independent of the number of rays. Thus, in practical
+  terms, if too few rays are run, then the simulation runtime becomes dominated
+  by the fixed cost of source updates, making it inefficient overall given that
+  a huge number of active batches will likely be required to converge statistics
+  to acceptable levels. Additionally, if many cells are missed each iteration,
+  then the fission and scattering sources may not develop very quickly,
+  resulting in a need for far more inactive batches than might otherwise be
+  required.
+- If a choice of running a very large number of rays is made such that you
+  guarantee that all cells are hit each iteration, this avoids any issues with
+  numerical instability. As even more rays are run, this reduces the number of
+  active batches that must be used to converge statistics and therefore
+  minimizes the fixed per-iteration source update costs. While this seems
+  advantageous, it has the same practical downside as with Monte Carlo---namely,
+  that the inactive batches tend to be overly well integrated, resulting in a
+  lot of wasted time. This issue is actually much more serious than in Monte
+  Carlo (where typically only tens of inactive batches are needed), as random
+  ray often requires hundreds or even thousands of inactive batches. Thus,
+  minimizing the cost of the source updates in the active phase needs to be
+  balanced against the increased cost of the inactive phase of the simulation.
+- If a choice of rays is made such that relatively few (e.g., around 0.1%) of
+  cells are missed each iteration, the cost of the inactive batches of the
+  simulation is minimized. In this "goldilocks" regime, there is very little
+  chance of numerical instability, and enough information is gained by each cell
+  to progress the fission and scattering sources forward at their maximum rate.
+  However, the inactive batches can proceed with minimal cost. While this will
+  result in the active phase of the simulation requiring more batches (and
+  correspondingly higher source update costs), the added cost is typically far
+  less than the savings by making the inactive phase much cheaper.
+
+To help you set this parameter, OpenMC will report the average flat source
+region miss rate at the end of the simulation. Additionally, OpenMC will alert
+you if very high miss rates are detected, indicating that more rays and/or a
+longer active ray length might improve numerical performance. Thus, a "guess and
+check" approach to this parameter is recommended, where a very low guess is
+made, a few iterations are performed, and then the simulation is restarted with
+a larger value until the "low ray density" messages go away.
+
+.. note::
+    In summary, the user should select an inactive length corresponding to many
+    times the mean free path of a particle, generally O(10--100) cm, to ensure accuracy of
+    the starting angular flux. The active length should be 10× the inactive
+    length to amortize its cost. The number of rays should be enough so that
+    nearly all :ref:`FSRs <subdivision_fsr>` are hit at least once each power iteration (the hit fraction
+    is reported by OpenMC for empirical user adjustment).
+
+.. warning::
+    For simulations where long range uncollided flux estimates need to be
+    accurately resolved (e.g., shielding, detector response, and problems with
+    significant void areas), make sure that selections for inactive and active
+    ray lengths are sufficiently long to allow for transport to occur between
+    source and target regions of interest.
+
+----------
+Ray Source
+----------
+
+Random ray requires that the ray source be uniform in space and isotropic in
+angle. To facilitate sampling, the user must specify a single random ray source
+for sampling rays in both eigenvalue and fixed source solver modes. The random
+ray integration source should be of type :class:`openmc.IndependentSource`, and
+is specified as part of the :attr:`openmc.Settings.random_ray` dictionary. Note
+that the source must not be limited to only fissionable regions. Additionally,
+the source box must cover the entire simulation domain. In the case of a
+simulation domain that is not box shaped, a box source should still be used to
+bound the domain but with the source limited to rejection sampling the actual
+simulation universe (which can be specified via the ``domains`` field of the
+:class:`openmc.IndependentSource` Python class). Similar to Monte Carlo sources,
+for two-dimensional problems (e.g., a 2D pincell) it is desirable to make the
+source bounded near the origin of the infinite dimension. An example of an
+acceptable ray source for a two-dimensional 2x2 lattice would look like:
+
+::
+
+    pitch = 1.26
+    lower_left  = (-pitch, -pitch, -pitch)
+    upper_right = ( pitch,  pitch,  pitch)
+    uniform_dist = openmc.stats.Box(lower_left, upper_right)
+    settings.random_ray['ray_source'] = openmc.IndependentSource(space=uniform_dist)
+
+.. note::
+    The random ray source is not related to the underlying particle flux or
+    source distribution of the simulation problem. It is akin to the selection
+    of an integration quadrature. Thus, in fixed source mode, the ray source
+    still needs to be provided and still needs to be uniform in space and angle
+    throughout the simulation domain. In fixed source mode, the user will
+    provide physical particle fixed sources in addition to the random ray
+    source.
+
+.. _subdivision_fsr:
+
+----------------------------------
+Subdivision of Flat Source Regions
+----------------------------------
+
+While the scattering and fission sources in Monte Carlo
+are treated continuously, they are assumed to be invariant (flat) within a
+MOC or random ray flat source region (FSR). This introduces bias into the
+simulation, which can be remedied by reducing the physical size of the FSR
+to dimensions below that of typical mean free paths of particles.
+
+In OpenMC, this subdivision currently must be done manually. The level of
+subdivision needed will be dependent on the fidelity the user requires. For
+typical light water reactor analysis, consider the following example subdivision
+of a two-dimensional 2x2 reflective pincell lattice:
+
+.. figure:: ../_images/2x2_materials.jpeg
+    :class: with-border
+    :width: 400
+
+    Material definition for an asymmetrical 2x2 lattice (1.26 cm pitch)
+
+.. figure:: ../_images/2x2_fsrs.jpeg
+    :class: with-border
+    :width: 400
+
+    FSR decomposition for an asymmetrical 2x2 lattice (1.26 cm pitch)
+
+In the future, automated subdivision of FSRs via mesh overlay may be supported.
+
+-------
+Tallies
+-------
+
+Most tallies, filters, and scores that you would expect to work with a
+multigroup solver like random ray are supported. For example, you can define 3D
+mesh tallies with energy filters and flux, fission, and nu-fission scores, etc.
+There are some restrictions though. For starters, it is assumed that all filter
+mesh boundaries will conform to physical surface boundaries (or lattice
+boundaries) in the simulation geometry. It is acceptable for multiple cells
+(FSRs) to be contained within a mesh element (e.g., pincell-level or
+assembly-level tallies should work), but it is currently left as undefined
+behavior if a single simulation cell is contained in multiple mesh elements.
+
+Supported scores:
+    - flux
+    - total
+    - fission
+    - nu-fission
+    - events
+
+Supported Estimators:
+    - tracklength
+
+Supported Filters:
+    - cell
+    - cell instance
+    - distribcell
+    - energy
+    - material
+    - mesh
+    - universe
+
+Note that there is no difference between the analog, tracklength, and collision
+estimators in random ray mode as individual particles are not being simulated.
+Tracklength-style tally estimation is inherent to the random ray method.
+
+--------
+Plotting
+--------
+
+Visualization of geometry is handled in the same way as normal with OpenMC (see
+:ref:`plotting guide <usersguide_plots>` for more details). That is, ``openmc
+--plot`` is handled without any modifications, as the random ray solver uses the
+same geometry definition as in Monte Carlo.
+
+In addition to OpenMC's standard geometry plotting mode, the random ray solver
+also features an additional method of data visualization. If a ``plots.xml``
+file is present, any voxel plots that are defined will be output at the end of a
+random ray simulation. Rather than being stored in HDF5 file format, the random
+ray plotting will generate ``.vtk`` files that can be directly read and plotted
+with `Paraview <https://www.paraview.org/>`_.
+
+In fixed source Monte Carlo (MC) simulations, by default the only thing global
+tally provided is the leakage fraction. In a k-eigenvalue MC simulation, by
+default global tallies are collected for the eigenvalue and leakage fraction.
+Spatial flux information must be manually requested, and often fine-grained
+spatial meshes are considered costly/unnecessary, so it is impractical in MC
+mode to plot spatial flux or power info by default. Conversely, in random ray,
+the solver functions by estimating the multigroup source and flux spectrums in
+every fine-grained FSR each iteration. Thus, for random ray, in both fixed
+source and eigenvalue simulations, the simulation always finishes with a well
+converged flux estimate for all areas. As such, it is much more common in random
+ray, MOC, and other deterministic codes to provide spatial flux information by
+default. In the future, all FSR data will be made available in the statepoint
+file, which facilitates plotting and manipulation through the Python API; at
+present, statepoint support is not available.
+
+Only voxel plots will be used to generate output; other plot types present in
+the ``plots.xml`` file will be ignored. The following fields will be written to
+the VTK structured grid file:
+
+    - material
+    - FSR index
+    - flux spectrum (for each energy group)
+    - total fission source (integrated across all energy groups)
+
+------------------------------------------
+Inputting Multigroup Cross Sections (MGXS)
+------------------------------------------
+
+Multigroup cross sections for use with OpenMC's random ray solver are input the
+same way as with OpenMC's traditional multigroup Monte Carlo mode. There is more
+information on generating multigroup cross sections via OpenMC in the
+:ref:`multigroup materials <create_mgxs>` user guide. You may also wish to
+use an existing multigroup library. An example of using OpenMC's Python
+interface to generate a correctly formatted ``mgxs.h5`` input file is given
+in the `OpenMC Jupyter notebook collection
+<https://nbviewer.org/github/openmc-dev/openmc-notebooks/blob/main/mg-mode-part-i.ipynb>`_.
+
+.. note::
+    Currently only isotropic and isothermal multigroup cross sections are
+    supported in random ray mode. To represent multiple material temperatures,
+    separate materials can be defined each with a separate multigroup dataset
+    corresponding to a given temperature.
+
+---------------------------------------
+Putting it All Together: Example Inputs
+---------------------------------------
+
+An example of a settings definition for random ray is given below::
+
+    # Geometry and MGXS material definition of 2x2 lattice (not shown)
+    pitch = 1.26
+    group_edges = [1e-5, 0.0635, 10.0, 1.0e2, 1.0e3, 0.5e6, 1.0e6, 20.0e6]
+    ...
+
+    # Instantiate a settings object for a random ray solve
+    settings = openmc.Settings()
+    settings.energy_mode = "multi-group"
+    settings.batches = 1200
+    settings.inactive = 600
+    settings.particles = 2000
+
+    settings.random_ray['distance_inactive'] = 40.0
+    settings.random_ray['distance_active'] = 400.0
+
+    # Create an initial uniform spatial source distribution for sampling rays
+    lower_left  = (-pitch, -pitch, -pitch)
+    upper_right = ( pitch,  pitch,  pitch)
+    uniform_dist = openmc.stats.Box(lower_left, upper_right)
+    settings.random_ray['ray_source'] = openmc.IndependentSource(space=uniform_dist)
+
+    settings.export_to_xml()
+
+    # Define tallies
+
+    # Create a mesh filter
+    mesh = openmc.RegularMesh()
+    mesh.dimension = (2, 2)
+    mesh.lower_left = (-pitch/2, -pitch/2)
+    mesh.upper_right = (pitch/2, pitch/2)
+    mesh_filter = openmc.MeshFilter(mesh)
+
+    # Create a multigroup energy filter
+    energy_filter = openmc.EnergyFilter(group_edges)
+
+    # Create tally using our two filters and add scores
+    tally = openmc.Tally()
+    tally.filters = [mesh_filter, energy_filter]
+    tally.scores = ['flux', 'fission', 'nu-fission']
+
+    # Instantiate a Tallies collection and export to XML
+    tallies = openmc.Tallies([tally])
+    tallies.export_to_xml()
+
+    # Create voxel plot
+    plot = openmc.Plot()
+    plot.origin = [0, 0, 0]
+    plot.width = [2*pitch, 2*pitch, 1]
+    plot.pixels = [1000, 1000, 1]
+    plot.type = 'voxel'
+
+    # Instantiate a Plots collection and export to XML
+    plots = openmc.Plots([plot])
+    plots.export_to_xml()
+
+All other inputs (e.g., geometry, materials) will be unchanged from a typical
+Monte Carlo run (see the :ref:`geometry <usersguide_geometry>` and
+:ref:`multigroup materials <create_mgxs>` user guides for more information).
+
+There is also a complete example of a pincell available in the
+``openmc/examples/pincell_random_ray`` folder.
diff --git a/examples/pincell_random_ray/build_xml.py b/examples/pincell_random_ray/build_xml.py
new file mode 100644
index 000000000..b3dd8020a
--- /dev/null
+++ b/examples/pincell_random_ray/build_xml.py
@@ -0,0 +1,203 @@
+import numpy as np
+import openmc
+import openmc.mgxs
+
+###############################################################################
+# Create multigroup data
+
+# Instantiate the energy group data
+group_edges = [1e-5, 0.0635, 10.0, 1.0e2, 1.0e3, 0.5e6, 1.0e6, 20.0e6]
+groups = openmc.mgxs.EnergyGroups(group_edges)
+
+# Instantiate the 7-group (C5G7) cross section data
+uo2_xsdata = openmc.XSdata('UO2', groups)
+uo2_xsdata.order = 0
+uo2_xsdata.set_total(
+    [0.1779492, 0.3298048, 0.4803882, 0.5543674, 0.3118013, 0.3951678,
+     0.5644058])
+uo2_xsdata.set_absorption([8.0248e-03, 3.7174e-03, 2.6769e-02, 9.6236e-02,
+                           3.0020e-02, 1.1126e-01, 2.8278e-01])
+scatter_matrix = np.array(
+    [[[0.1275370, 0.0423780, 0.0000094, 0.0000000, 0.0000000, 0.0000000, 0.0000000],
+      [0.0000000, 0.3244560, 0.0016314, 0.0000000, 0.0000000, 0.0000000, 0.0000000],
+      [0.0000000, 0.0000000, 0.4509400, 0.0026792, 0.0000000, 0.0000000, 0.0000000],
+      [0.0000000, 0.0000000, 0.0000000, 0.4525650, 0.0055664, 0.0000000, 0.0000000],
+      [0.0000000, 0.0000000, 0.0000000, 0.0001253, 0.2714010, 0.0102550, 0.0000000],
+      [0.0000000, 0.0000000, 0.0000000, 0.0000000, 0.0012968, 0.2658020, 0.0168090],
+      [0.0000000, 0.0000000, 0.0000000, 0.0000000, 0.0000000, 0.0085458, 0.2730800]]])
+scatter_matrix = np.rollaxis(scatter_matrix, 0, 3)
+uo2_xsdata.set_scatter_matrix(scatter_matrix)
+uo2_xsdata.set_fission([7.21206e-03, 8.19301e-04, 6.45320e-03,
+                        1.85648e-02, 1.78084e-02, 8.30348e-02,
+                        2.16004e-01])
+uo2_xsdata.set_nu_fission([2.005998e-02, 2.027303e-03, 1.570599e-02,
+                           4.518301e-02, 4.334208e-02, 2.020901e-01,
+                           5.257105e-01])
+uo2_xsdata.set_chi([5.8791e-01, 4.1176e-01, 3.3906e-04, 1.1761e-07, 0.0000e+00,
+                    0.0000e+00, 0.0000e+00])
+
+h2o_xsdata = openmc.XSdata('LWTR', groups)
+h2o_xsdata.order = 0
+h2o_xsdata.set_total([0.15920605, 0.412969593, 0.59030986, 0.58435,
+                      0.718, 1.2544497, 2.650379])
+h2o_xsdata.set_absorption([6.0105e-04, 1.5793e-05, 3.3716e-04,
+                           1.9406e-03, 5.7416e-03, 1.5001e-02,
+                           3.7239e-02])
+scatter_matrix = np.array(
+    [[[0.0444777, 0.1134000, 0.0007235, 0.0000037, 0.0000001, 0.0000000, 0.0000000],
+      [0.0000000, 0.2823340, 0.1299400, 0.0006234, 0.0000480, 0.0000074, 0.0000010],
+      [0.0000000, 0.0000000, 0.3452560, 0.2245700, 0.0169990, 0.0026443, 0.0005034],
+      [0.0000000, 0.0000000, 0.0000000, 0.0910284, 0.4155100, 0.0637320, 0.0121390],
+      [0.0000000, 0.0000000, 0.0000000, 0.0000714, 0.1391380, 0.5118200, 0.0612290],
+      [0.0000000, 0.0000000, 0.0000000, 0.0000000, 0.0022157, 0.6999130, 0.5373200],
+      [0.0000000, 0.0000000, 0.0000000, 0.0000000, 0.0000000, 0.1324400, 2.4807000]]])
+scatter_matrix = np.rollaxis(scatter_matrix, 0, 3)
+h2o_xsdata.set_scatter_matrix(scatter_matrix)
+
+mg_cross_sections_file = openmc.MGXSLibrary(groups)
+mg_cross_sections_file.add_xsdatas([uo2_xsdata, h2o_xsdata])
+mg_cross_sections_file.export_to_hdf5()
+
+###############################################################################
+# Create materials for the problem
+
+# Instantiate some Materials and register the appropriate macroscopic data
+uo2 = openmc.Material(name='UO2 fuel')
+uo2.set_density('macro', 1.0)
+uo2.add_macroscopic('UO2')
+
+water = openmc.Material(name='Water')
+water.set_density('macro', 1.0)
+water.add_macroscopic('LWTR')
+
+# Instantiate a Materials collection and export to XML
+materials_file = openmc.Materials([uo2, water])
+materials_file.cross_sections = "mgxs.h5"
+materials_file.export_to_xml()
+
+###############################################################################
+# Define problem geometry
+
+# The geometry we will define a simplified pincell with fuel radius 0.54 cm
+# surrounded by moderator (same as in the multigroup example).
+# In random ray, we typically want several radial regions and azimuthal
+# sectors in both the fuel and moderator areas of the pincell. This is
+# due to the flat source approximation requiring that source regions are
+# small compared to the typical mean free path of a neutron. Below we
+# sudivide the basic pincell into 8 aziumthal sectors (pizza slices) and
+# 5 concentric rings in both the fuel and moderator.
+
+# TODO: When available in OpenMC, use cylindrical lattice instead to
+# simplify definition and improve runtime performance.
+
+pincell_base = openmc.Universe()
+
+# These are the subdivided radii (creating 5 concentric regions in the
+# fuel and moderator)
+ring_radii = [0.241, 0.341, 0.418, 0.482, 0.54, 0.572, 0.612, 0.694, 0.786]
+fills = [uo2, uo2, uo2, uo2, uo2, water, water, water, water, water]
+
+# We then create cells representing the bounded rings, with special
+# treatment for both the innermost and outermost cells
+cells = []
+for r in range(10):
+    cell = []
+    if r == 0:
+        outer_bound = openmc.ZCylinder(r=ring_radii[r])
+        cell = openmc.Cell(fill=fills[r], region=-outer_bound)
+    elif r == 9:
+        inner_bound = openmc.ZCylinder(r=ring_radii[r-1])
+        cell = openmc.Cell(fill=fills[r], region=+inner_bound)
+    else:
+        inner_bound = openmc.ZCylinder(r=ring_radii[r-1])
+        outer_bound = openmc.ZCylinder(r=ring_radii[r])
+        cell = openmc.Cell(fill=fills[r], region=+inner_bound & -outer_bound)
+    pincell_base.add_cell(cell)
+
+# We then generate 8 planes to bound 8 azimuthal sectors
+azimuthal_planes = []
+for i in range(8):
+    angle = 2 * i * openmc.pi / 8
+    normal_vector = (-openmc.sin(angle), openmc.cos(angle), 0)
+    azimuthal_planes.append(openmc.Plane(a=normal_vector[0], b=normal_vector[1], c=normal_vector[2], d=0))
+
+# Create a cell for each azimuthal sector using the pincell base class
+azimuthal_cells = []
+for i in range(8):
+    azimuthal_cell = openmc.Cell(name=f'azimuthal_cell_{i}')
+    azimuthal_cell.fill = pincell_base
+    azimuthal_cell.region = +azimuthal_planes[i] & -azimuthal_planes[(i+1) % 8]
+    azimuthal_cells.append(azimuthal_cell)
+
+# Create the (subdivided) geometry with the azimuthal universes
+pincell = openmc.Universe(cells=azimuthal_cells)
+
+# Create a region represented as the inside of a rectangular prism
+pitch = 1.26
+box = openmc.model.RectangularPrism(pitch, pitch, boundary_type='reflective')
+pincell_bounded = openmc.Cell(fill=pincell, region=-box, name='pincell')
+
+# Create a geometry (specifying merge surfaces option to remove
+# all the redundant cylinder/plane surfaces) and export to XML
+geometry = openmc.Geometry([pincell_bounded], merge_surfaces=True)
+geometry.export_to_xml()
+
+###############################################################################
+# Define problem settings
+
+# Instantiate a Settings object, set all runtime parameters, and export to XML
+settings = openmc.Settings()
+settings.energy_mode = "multi-group"
+settings.batches = 600
+settings.inactive = 300
+settings.particles = 50
+
+# Create an initial uniform spatial source distribution for sampling rays.
+# Note that this must be uniform in space and angle.
+lower_left = (-pitch/2, -pitch/2, -1)
+upper_right = (pitch/2, pitch/2, 1)
+uniform_dist = openmc.stats.Box(lower_left, upper_right)
+settings.random_ray['ray_source'] = openmc.IndependentSource(space=uniform_dist)
+settings.random_ray['distance_inactive'] = 40.0
+settings.random_ray['distance_active'] = 400.0
+
+settings.export_to_xml()
+
+###############################################################################
+# Define tallies
+
+# Create a mesh that will be used for tallying
+mesh = openmc.RegularMesh()
+mesh.dimension = (2, 2)
+mesh.lower_left = (-pitch/2, -pitch/2)
+mesh.upper_right = (pitch/2, pitch/2)
+
+# Create a mesh filter that can be used in a tally
+mesh_filter = openmc.MeshFilter(mesh)
+
+# Let's also create a filter to measure each group
+# indepdendently
+energy_filter = openmc.EnergyFilter(group_edges)
+
+# Now use the mesh filter in a tally and indicate what scores are desired
+tally = openmc.Tally(name="Mesh and Energy tally")
+tally.filters = [mesh_filter, energy_filter]
+tally.scores = ['flux', 'fission', 'nu-fission']
+
+# Instantiate a Tallies collection and export to XML
+tallies = openmc.Tallies([tally])
+tallies.export_to_xml()
+
+###############################################################################
+#                   Exporting to OpenMC plots.xml file
+###############################################################################
+
+plot = openmc.Plot()
+plot.origin = [0, 0, 0]
+plot.width = [pitch, pitch, pitch]
+plot.pixels = [1000, 1000, 1]
+plot.type = 'voxel'
+
+# Instantiate a Plots collection and export to XML
+plots = openmc.Plots([plot])
+plots.export_to_xml()
diff --git a/include/openmc/boundary_condition.h b/include/openmc/boundary_condition.h
index e63e232e9..cd8988162 100644
--- a/include/openmc/boundary_condition.h
+++ b/include/openmc/boundary_condition.h
@@ -10,6 +10,7 @@ namespace openmc {
 
 // Forward declare some types used in function arguments.
 class Particle;
+class RandomRay;
 class Surface;
 
 //==============================================================================
diff --git a/include/openmc/cell.h b/include/openmc/cell.h
index c405f536b..e68443a32 100644
--- a/include/openmc/cell.h
+++ b/include/openmc/cell.h
@@ -249,6 +249,42 @@ public:
   std::unordered_map<int32_t, vector<int32_t>> get_contained_cells(
     int32_t instance = 0, Position* hint = nullptr) const;
 
+  //! Determine the material index corresponding to a specific cell instance,
+  //! taking into account presence of distribcell material
+  //! \param[in] instance of the cell
+  //! \return material index
+  int32_t material(int32_t instance) const
+  {
+    // If distributed materials are used, then each instance has its own
+    // material definition. If distributed materials are not used, then
+    // all instances used the same material stored at material_[0]. The
+    // presence of distributed materials is inferred from the size of
+    // the material_ vector being greater than one.
+    if (material_.size() > 1) {
+      return material_[instance];
+    } else {
+      return material_[0];
+    }
+  }
+
+  //! Determine the temperature index corresponding to a specific cell instance,
+  //! taking into account presence of distribcell temperature
+  //! \param[in] instance of the cell
+  //! \return temperature index
+  double sqrtkT(int32_t instance) const
+  {
+    // If distributed materials are used, then each instance has its own
+    // temperature definition. If distributed materials are not used, then
+    // all instances used the same temperature stored at sqrtkT_[0]. The
+    // presence of distributed materials is inferred from the size of
+    // the sqrtkT_ vector being greater than one.
+    if (sqrtkT_.size() > 1) {
+      return sqrtkT_[instance];
+    } else {
+      return sqrtkT_[0];
+    }
+  }
+
 protected:
   //! Determine the path to this cell instance in the geometry hierarchy
   //! \param[in] instance of the cell to find parent cells for
diff --git a/include/openmc/constants.h b/include/openmc/constants.h
index ba558b040..1c683e5f5 100644
--- a/include/openmc/constants.h
+++ b/include/openmc/constants.h
@@ -340,6 +340,8 @@ enum class RunMode {
   VOLUME
 };
 
+enum class SolverType { MONTE_CARLO, RANDOM_RAY };
+
 //==============================================================================
 // Geometry Constants
 
diff --git a/include/openmc/mgxs.h b/include/openmc/mgxs.h
index d77c34bd5..3fb060810 100644
--- a/include/openmc/mgxs.h
+++ b/include/openmc/mgxs.h
@@ -29,7 +29,6 @@ private:
   int num_delayed_groups; // number of delayed neutron groups
   vector<XsData> xs;      // Cross section data
   // MGXS Incoming Flux Angular grid information
-  bool is_isotropic; // used to skip search for angle indices if isotropic
   int n_pol;
   int n_azi;
   vector<double> polar;
@@ -85,6 +84,8 @@ public:
   std::string name; // name of dataset, e.g., UO2
   double awr;       // atomic weight ratio
   bool fissionable; // Is this fissionable
+  bool is_isotropic {
+    true}; // used to skip search for angle indices if isotropic
 
   Mgxs() = default;
 
diff --git a/include/openmc/output.h b/include/openmc/output.h
index 1ef95a887..1ece3de96 100644
--- a/include/openmc/output.h
+++ b/include/openmc/output.h
@@ -57,6 +57,8 @@ void print_results();
 
 void write_tallies();
 
+void show_time(const char* label, double secs, int indent_level = 0);
+
 } // namespace openmc
 #endif // OPENMC_OUTPUT_H
 
@@ -80,4 +82,4 @@ struct formatter<std::array<T, 2>> {
   }
 };
 
-} // namespace fmt
\ No newline at end of file
+} // namespace fmt
diff --git a/include/openmc/plot.h b/include/openmc/plot.h
index 7b66036fb..ee6c3fbec 100644
--- a/include/openmc/plot.h
+++ b/include/openmc/plot.h
@@ -100,6 +100,7 @@ public:
   virtual void print_info() const = 0;
 
   const std::string& path_plot() const { return path_plot_; }
+  std::string& path_plot() { return path_plot_; }
   int id() const { return id_; }
   int level() const { return level_; }
 
diff --git a/include/openmc/random_ray/flat_source_domain.h b/include/openmc/random_ray/flat_source_domain.h
new file mode 100644
index 000000000..5f64914ed
--- /dev/null
+++ b/include/openmc/random_ray/flat_source_domain.h
@@ -0,0 +1,141 @@
+#ifndef OPENMC_RANDOM_RAY_FLAT_SOURCE_DOMAIN_H
+#define OPENMC_RANDOM_RAY_FLAT_SOURCE_DOMAIN_H
+
+#include "openmc/openmp_interface.h"
+#include "openmc/position.h"
+
+namespace openmc {
+
+/*
+ * The FlatSourceDomain class encompasses data and methods for storing
+ * scalar flux and source region for all flat source regions in a
+ * random ray simulation domain.
+ */
+
+class FlatSourceDomain {
+public:
+  //----------------------------------------------------------------------------
+  // Helper Structs
+
+  // A mapping object that is used to map between a specific random ray
+  // source region and an OpenMC native tally bin that it should score to
+  // every iteration.
+  struct TallyTask {
+    int tally_idx;
+    int filter_idx;
+    int score_idx;
+    int score_type;
+    TallyTask(int tally_idx, int filter_idx, int score_idx, int score_type)
+      : tally_idx(tally_idx), filter_idx(filter_idx), score_idx(score_idx),
+        score_type(score_type)
+    {}
+  };
+
+  //----------------------------------------------------------------------------
+  // Constructors
+  FlatSourceDomain();
+
+  //----------------------------------------------------------------------------
+  // Methods
+  void update_neutron_source(double k_eff);
+  double compute_k_eff(double k_eff_old) const;
+  void normalize_scalar_flux_and_volumes(
+    double total_active_distance_per_iteration);
+  int64_t add_source_to_scalar_flux();
+  void batch_reset();
+  void convert_source_regions_to_tallies();
+  void random_ray_tally() const;
+  void accumulate_iteration_flux();
+  void output_to_vtk() const;
+  void all_reduce_replicated_source_regions();
+
+  //----------------------------------------------------------------------------
+  // Public Data members
+
+  bool mapped_all_tallies_ {false}; // If all source regions have been visited
+
+  int64_t n_source_regions_ {0}; // Total number of source regions in the model
+
+  // 1D array representing source region starting offset for each OpenMC Cell
+  // in model::cells
+  vector<int64_t> source_region_offsets_;
+
+  // 1D arrays representing values for all source regions
+  vector<OpenMPMutex> lock_;
+  vector<int> was_hit_;
+  vector<double> volume_;
+  vector<int> position_recorded_;
+  vector<Position> position_;
+
+  // 2D arrays stored in 1D representing values for all source regions x energy
+  // groups
+  vector<float> scalar_flux_old_;
+  vector<float> scalar_flux_new_;
+  vector<float> source_;
+
+  //----------------------------------------------------------------------------
+  // Private data members
+private:
+  int negroups_;                  // Number of energy groups in simulation
+  int64_t n_source_elements_ {0}; // Total number of source regions in the model
+                                  // times the number of energy groups
+
+  // 2D array representing values for all source regions x energy groups x tally
+  // tasks
+  vector<vector<TallyTask>> tally_task_;
+
+  // 1D arrays representing values for all source regions
+  vector<int> material_;
+  vector<double> volume_t_;
+
+  // 2D arrays stored in 1D representing values for all source regions x energy
+  // groups
+  vector<float> scalar_flux_final_;
+
+}; // class FlatSourceDomain
+
+//============================================================================
+//! Non-member functions
+//============================================================================
+
+// Returns the inputted value in big endian byte ordering. If the system is
+// little endian, the byte ordering is flipped. If the system is big endian,
+// the inputted value is returned as is. This function is necessary as
+// .vtk binary files use big endian byte ordering.
+template<typename T>
+T convert_to_big_endian(T in)
+{
+  // 4 byte integer
+  uint32_t test = 1;
+
+  // 1 byte pointer to first byte of test integer
+  uint8_t* ptr = reinterpret_cast<uint8_t*>(&test);
+
+  // If the first byte of test is 0, then the system is big endian. In this
+  // case, we don't have to do anything as .vtk files are big endian
+  if (*ptr == 0)
+    return in;
+
+  // Otherwise, the system is in little endian, so we need to flip the
+  // endianness
+  uint8_t* orig = reinterpret_cast<uint8_t*>(&in);
+  uint8_t swapper[sizeof(T)];
+  for (int i = 0; i < sizeof(T); i++) {
+    swapper[i] = orig[sizeof(T) - i - 1];
+  }
+  T out = *reinterpret_cast<T*>(&swapper);
+  return out;
+}
+
+template<typename T>
+void parallel_fill(vector<T>& arr, T value)
+{
+#pragma omp parallel for schedule(static)
+  for (int i = 0; i < arr.size(); i++) {
+    arr[i] = value;
+  }
+}
+
+} // namespace openmc
+
+#endif // OPENMC_RANDOM_RAY_FLAT_SOURCE_DOMAIN_H
diff --git a/include/openmc/random_ray/random_ray.h b/include/openmc/random_ray/random_ray.h
new file mode 100644
index 000000000..c114007c6
--- /dev/null
+++ b/include/openmc/random_ray/random_ray.h
@@ -0,0 +1,55 @@
+#ifndef OPENMC_RANDOM_RAY_H
+#define OPENMC_RANDOM_RAY_H
+
+#include "openmc/memory.h"
+#include "openmc/particle.h"
+#include "openmc/random_ray/flat_source_domain.h"
+#include "openmc/source.h"
+
+namespace openmc {
+
+/*
+ * The RandomRay class encompasses data and methods for transporting random rays
+ * through the model. It is a small extension of the Particle class.
+ */
+
+// TODO: Inherit from GeometryState instead of Particle
+class RandomRay : public Particle {
+public:
+  //----------------------------------------------------------------------------
+  // Constructors
+  RandomRay();
+  RandomRay(uint64_t ray_id, FlatSourceDomain* domain);
+
+  //----------------------------------------------------------------------------
+  // Methods
+  void event_advance_ray();
+  void attenuate_flux(double distance, bool is_active);
+  void initialize_ray(uint64_t ray_id, FlatSourceDomain* domain);
+  uint64_t transport_history_based_single_ray();
+
+  //----------------------------------------------------------------------------
+  // Static data members
+  static double distance_inactive_;      // Inactive (dead zone) ray length
+  static double distance_active_;        // Active ray length
+  static unique_ptr<Source> ray_source_; // Starting source for ray sampling
+
+  //----------------------------------------------------------------------------
+  // Public data members
+  vector<float> angular_flux_;
+
+  //----------------------------------------------------------------------------
+  // Private data members
+private:
+  FlatSourceDomain* domain_ {nullptr}; // pointer to domain that has flat source
+                                       // data needed for ray transport
+  vector<float> delta_psi_;
+  double distance_travelled_ {0};
+  int negroups_;
+  bool is_active_ {false};
+  bool is_alive_ {true};
+}; // class RandomRay
+
+} // namespace openmc
+
+#endif // OPENMC_RANDOM_RAY_H
diff --git a/include/openmc/random_ray/random_ray_simulation.h b/include/openmc/random_ray/random_ray_simulation.h
new file mode 100644
index 000000000..cde0d27df
--- /dev/null
+++ b/include/openmc/random_ray/random_ray_simulation.h
@@ -0,0 +1,59 @@
+#ifndef OPENMC_RANDOM_RAY_SIMULATION_H
+#define OPENMC_RANDOM_RAY_SIMULATION_H
+
+#include "openmc/random_ray/flat_source_domain.h"
+
+namespace openmc {
+
+/*
+ * The RandomRaySimulation class encompasses data and methods for running a
+ * random ray simulation.
+ */
+
+class RandomRaySimulation {
+public:
+  //----------------------------------------------------------------------------
+  // Constructors
+  RandomRaySimulation();
+
+  //----------------------------------------------------------------------------
+  // Methods
+  void simulate();
+  void reduce_simulation_statistics();
+  void output_simulation_results() const;
+  void instability_check(
+    int64_t n_hits, double k_eff, double& avg_miss_rate) const;
+  void print_results_random_ray(uint64_t total_geometric_intersections,
+    double avg_miss_rate, int negroups, int64_t n_source_regions) const;
+
+  //----------------------------------------------------------------------------
+  // Data members
+private:
+  // Contains all flat source region data
+  FlatSourceDomain domain_;
+
+  // Random ray eigenvalue
+  double k_eff_ {1.0};
+
+  // Tracks the average FSR miss rate for analysis and reporting
+  double avg_miss_rate_ {0.0};
+
+  // Tracks the total number of geometric intersections by all rays for
+  // reporting
+  uint64_t total_geometric_intersections_ {0};
+
+  // Number of energy groups
+  int negroups_;
+
+}; // class RandomRaySimulation
+
+//============================================================================
+//! Non-member functions
+//============================================================================
+
+void openmc_run_random_ray();
+void validate_random_ray_inputs();
+
+} // namespace openmc
+
+#endif // OPENMC_RANDOM_RAY_SIMULATION_H
diff --git a/include/openmc/settings.h b/include/openmc/settings.h
index 5e60009bc..b71ec3649 100644
--- a/include/openmc/settings.h
+++ b/include/openmc/settings.h
@@ -112,8 +112,9 @@ extern ResScatMethod res_scat_method; //!< resonance upscattering method
 extern double res_scat_energy_min; //!< Min energy in [eV] for res. upscattering
 extern double res_scat_energy_max; //!< Max energy in [eV] for res. upscattering
 extern vector<std::string>
-  res_scat_nuclides;     //!< Nuclides using res. upscattering treatment
-extern RunMode run_mode; //!< Run mode (eigenvalue, fixed src, etc.)
+  res_scat_nuclides;           //!< Nuclides using res. upscattering treatment
+extern RunMode run_mode;       //!< Run mode (eigenvalue, fixed src, etc.)
+extern SolverType solver_type; //!< Solver Type (Monte Carlo or Random Ray)
 extern std::unordered_set<int>
   sourcepoint_batch; //!< Batches when source should be written
 extern std::unordered_set<int>
@@ -139,6 +140,7 @@ extern int trigger_batch_interval; //!< Batch interval for triggers
 extern "C" int verbosity;          //!< How verbose to make output
 extern double weight_cutoff;       //!< Weight cutoff for Russian roulette
 extern double weight_survive;      //!< Survival weight after Russian roulette
+
 } // namespace settings
 
 //==============================================================================
diff --git a/include/openmc/timer.h b/include/openmc/timer.h
index 62b97883f..d928aad45 100644
--- a/include/openmc/timer.h
+++ b/include/openmc/timer.h
@@ -31,6 +31,7 @@ extern Timer time_event_advance_particle;
 extern Timer time_event_surface_crossing;
 extern Timer time_event_collision;
 extern Timer time_event_death;
+extern Timer time_update_src;
 
 } // namespace simulation
 
diff --git a/openmc/settings.py b/openmc/settings.py
index 828d5aef4..631246029 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -86,7 +86,8 @@ class Settings:
 
         .. versionadded:: 0.12
     rel_max_lost_particles : float
-        Maximum number of lost particles, relative to the total number of particles
+        Maximum number of lost particles, relative to the total number of
+        particles
 
         .. versionadded:: 0.12
     inactive : int
@@ -146,6 +147,18 @@ class Settings:
        Initial seed for randomly generated plot colors.
     ptables : bool
         Determine whether probability tables are used.
+    random_ray : dict
+        Options for configuring the random ray solver. Acceptable keys are:
+
+        :distance_inactive:
+            Indicates the total active distance in [cm] a ray should travel
+        :distance_active:
+            Indicates the total active distance in [cm] a ray should travel
+        :ray_source:
+            Starting ray distribution (must be uniform in space and angle) as
+            specified by a :class:`openmc.SourceBase` object.
+
+        .. versionadded:: 0.14.1
     resonance_scattering : dict
         Settings for resonance elastic scattering. Accepted keys are 'enable'
         (bool), 'method' (str), 'energy_min' (float), 'energy_max' (float), and
@@ -153,10 +166,10 @@ class Settings:
         rejection correction) or 'rvs' (relative velocity sampling). If not
         specified, 'rvs' is the default method. The 'energy_min' and
         'energy_max' values indicate the minimum and maximum energies above and
-        below which the resonance elastic scattering method is to be
-        applied. The 'nuclides' list indicates what nuclides the method should
-        be applied to. In its absence, the method will be applied to all
-        nuclides with 0 K elastic scattering data present.
+        below which the resonance elastic scattering method is to be applied.
+        The 'nuclides' list indicates what nuclides the method should be applied
+        to. In its absence, the method will be applied to all nuclides with 0 K
+        elastic scattering data present.
     run_mode : {'eigenvalue', 'fixed source', 'plot', 'volume', 'particle restart'}
         The type of calculation to perform (default is 'eigenvalue')
     seed : int
@@ -185,26 +198,26 @@ class Settings:
 
         :surface_ids: List of surface ids at which crossing particles are to be
                    banked (int)
-        :max_particles: Maximum number of particles to be banked on
-                   surfaces per process (int)
+        :max_particles: Maximum number of particles to be banked on surfaces per
+                   process (int)
         :mcpl: Output in the form of an MCPL-file (bool)
     survival_biasing : bool
         Indicate whether survival biasing is to be used
     tabular_legendre : dict
         Determines if a multi-group scattering moment kernel expanded via
         Legendre polynomials is to be converted to a tabular distribution or
-        not. Accepted keys are 'enable' and 'num_points'. The value for
-        'enable' is a bool stating whether the conversion to tabular is
-        performed; the value for 'num_points' sets the number of points to use
-        in the tabular distribution, should 'enable' be True.
+        not. Accepted keys are 'enable' and 'num_points'. The value for 'enable'
+        is a bool stating whether the conversion to tabular is performed; the
+        value for 'num_points' sets the number of points to use in the tabular
+        distribution, should 'enable' be True.
     temperature : dict
         Defines a default temperature and method for treating intermediate
         temperatures at which nuclear data doesn't exist. Accepted keys are
         'default', 'method', 'range', 'tolerance', and 'multipole'. The value
         for 'default' should be a float representing the default temperature in
         Kelvin. The value for 'method' should be 'nearest' or 'interpolation'.
-        If the method is 'nearest', 'tolerance' indicates a range of
-        temperature within which cross sections may be used. If the method is
+        If the method is 'nearest', 'tolerance' indicates a range of temperature
+        within which cross sections may be used. If the method is
         'interpolation', 'tolerance' indicates the range of temperatures outside
         of the available cross section temperatures where cross sections will
         evaluate to the nearer bound. The value for 'range' should be a pair of
@@ -348,6 +361,8 @@ class Settings:
         self._max_splits = None
         self._max_tracks = None
 
+        self._random_ray = {}
+
         for key, value in kwargs.items():
             setattr(self, key, value)
 
@@ -1030,6 +1045,31 @@ class Settings:
             wwgs = [wwgs]
         self._weight_window_generators = cv.CheckedList(WeightWindowGenerator, 'weight window generators', wwgs)
 
+    @property
+    def random_ray(self) -> dict:
+        return self._random_ray
+
+    @random_ray.setter
+    def random_ray(self, random_ray: dict):
+        if not isinstance(random_ray, Mapping):
+            raise ValueError(f'Unable to set random_ray from "{random_ray}" '
+                             'which is not a dict.')
+        for key in random_ray:
+            if key == 'distance_active':
+                cv.check_type('active ray length', random_ray[key], Real)
+                cv.check_greater_than('active ray length', random_ray[key], 0.0)
+            elif key == 'distance_inactive':
+                cv.check_type('inactive ray length', random_ray[key], Real)
+                cv.check_greater_than('inactive ray length',
+                                      random_ray[key], 0.0, True)
+            elif key == 'ray_source':
+                cv.check_type('random ray source', random_ray[key], SourceBase)
+            else:
+                raise ValueError(f'Unable to set random ray to "{key}" which is '
+                                 'unsupported by OpenMC')
+
+        self._random_ray = random_ray
+
     def _create_run_mode_subelement(self, root):
         elem = ET.SubElement(root, "run_mode")
         elem.text = self._run_mode.value
@@ -1442,6 +1482,17 @@ class Settings:
             elem = ET.SubElement(root, "max_tracks")
             elem.text = str(self._max_tracks)
 
+    def _create_random_ray_subelement(self, root):
+        if self._random_ray:
+            element = ET.SubElement(root, "random_ray")
+            for key, value in self._random_ray.items():
+                if key == 'ray_source' and isinstance(value, SourceBase):
+                    source_element = value.to_xml_element()
+                    element.append(source_element)
+                else:
+                    subelement = ET.SubElement(element, key)
+                    subelement.text = str(value)
+
     def _eigenvalue_from_xml_element(self, root):
         elem = root.find('eigenvalue')
         if elem is not None:
@@ -1793,6 +1844,17 @@ class Settings:
         if text is not None:
             self.max_tracks = int(text)
 
+    def _random_ray_from_xml_element(self, root):
+        elem = root.find('random_ray')
+        if elem is not None:
+            self.random_ray = {}
+            for child in elem:
+                if child.tag in ('distance_inactive', 'distance_active'):
+                    self.random_ray[child.tag] = float(child.text)
+                elif child.tag == 'source':
+                    source = SourceBase.from_xml_element(child)
+                    self.random_ray['ray_source'] = source
+
     def to_xml_element(self, mesh_memo=None):
         """Create a 'settings' element to be written to an XML file.
 
@@ -1855,6 +1917,7 @@ class Settings:
         self._create_weight_window_checkpoints_subelement(element)
         self._create_max_splits_subelement(element)
         self._create_max_tracks_subelement(element)
+        self._create_random_ray_subelement(element)
 
         # Clean the indentation in the file to be user-readable
         clean_indentation(element)
@@ -1958,6 +2021,7 @@ class Settings:
         settings._weight_window_checkpoints_from_xml_element(elem)
         settings._max_splits_from_xml_element(elem)
         settings._max_tracks_from_xml_element(elem)
+        settings._random_ray_from_xml_element(elem)
 
         # TODO: Get volume calculations
         return settings
diff --git a/src/boundary_condition.cpp b/src/boundary_condition.cpp
index 42a8e27a1..b58054dce 100644
--- a/src/boundary_condition.cpp
+++ b/src/boundary_condition.cpp
@@ -6,6 +6,7 @@
 
 #include "openmc/constants.h"
 #include "openmc/error.h"
+#include "openmc/random_ray/random_ray.h"
 #include "openmc/surface.h"
 
 namespace openmc {
@@ -16,7 +17,18 @@ namespace openmc {
 
 void VacuumBC::handle_particle(Particle& p, const Surface& surf) const
 {
-  p.cross_vacuum_bc(surf);
+  // Random ray and Monte Carlo need different treatments at vacuum BCs
+  if (settings::solver_type == SolverType::RANDOM_RAY) {
+    // Reflect ray off of the surface
+    ReflectiveBC().handle_particle(p, surf);
+
+    // Set ray's angular flux spectrum to vacuum conditions (zero)
+    RandomRay* r = static_cast<RandomRay*>(&p);
+    std::fill(r->angular_flux_.begin(), r->angular_flux_.end(), 0.0);
+
+  } else {
+    p.cross_vacuum_bc(surf);
+  }
 }
 
 //==============================================================================
diff --git a/src/eigenvalue.cpp b/src/eigenvalue.cpp
index 5584210a1..d5410094b 100644
--- a/src/eigenvalue.cpp
+++ b/src/eigenvalue.cpp
@@ -57,16 +57,28 @@ void calculate_generation_keff()
 
   double keff_reduced;
 #ifdef OPENMC_MPI
-  // Combine values across all processors
-  MPI_Allreduce(&simulation::keff_generation, &keff_reduced, 1, MPI_DOUBLE,
-    MPI_SUM, mpi::intracomm);
+  if (settings::solver_type != SolverType::RANDOM_RAY) {
+    // Combine values across all processors
+    MPI_Allreduce(&simulation::keff_generation, &keff_reduced, 1, MPI_DOUBLE,
+      MPI_SUM, mpi::intracomm);
+  } else {
+    // If using random ray, MPI parallelism is provided by domain replication.
+    // As such, all fluxes will be reduced at the end of each transport sweep,
+    // such that all ranks have identical scalar flux vectors, and will all
+    // independently compute the same value of k. Thus, there is no need to
+    // perform any additional MPI reduction here.
+    keff_reduced = simulation::keff_generation;
+  }
 #else
   keff_reduced = simulation::keff_generation;
 #endif
 
   // Normalize single batch estimate of k
   // TODO: This should be normalized by total_weight, not by n_particles
-  keff_reduced /= settings::n_particles;
+  if (settings::solver_type != SolverType::RANDOM_RAY) {
+    keff_reduced /= settings::n_particles;
+  }
+
   simulation::k_generation.push_back(keff_reduced);
 }
 
@@ -370,7 +382,8 @@ int openmc_get_keff(double* k_combined)
 
   // Special case for n <=3. Notice that at the end,
   // there is a N-3 term in a denominator.
-  if (simulation::n_realizations <= 3) {
+  if (simulation::n_realizations <= 3 ||
+      settings::solver_type == SolverType::RANDOM_RAY) {
     k_combined[0] = simulation::keff;
     k_combined[1] = simulation::keff_std;
     if (simulation::n_realizations <= 1) {
diff --git a/src/geometry.cpp b/src/geometry.cpp
index a16addd48..445b19faa 100644
--- a/src/geometry.cpp
+++ b/src/geometry.cpp
@@ -174,17 +174,9 @@ bool find_cell_inner(
 
       // Set the material and temperature.
       p.material_last() = p.material();
-      if (c.material_.size() > 1) {
-        p.material() = c.material_[p.cell_instance()];
-      } else {
-        p.material() = c.material_[0];
-      }
+      p.material() = c.material(p.cell_instance());
       p.sqrtkT_last() = p.sqrtkT();
-      if (c.sqrtkT_.size() > 1) {
-        p.sqrtkT() = c.sqrtkT_[p.cell_instance()];
-      } else {
-        p.sqrtkT() = c.sqrtkT_[0];
-      }
+      p.sqrtkT() = c.sqrtkT(p.cell_instance());
 
       return true;
 
diff --git a/src/main.cpp b/src/main.cpp
index 02a850ead..88251ac72 100644
--- a/src/main.cpp
+++ b/src/main.cpp
@@ -6,6 +6,7 @@
 #include "openmc/error.h"
 #include "openmc/message_passing.h"
 #include "openmc/particle_restart.h"
+#include "openmc/random_ray/random_ray_simulation.h"
 #include "openmc/settings.h"
 
 int main(int argc, char* argv[])
@@ -31,7 +32,15 @@ int main(int argc, char* argv[])
   switch (settings::run_mode) {
   case RunMode::FIXED_SOURCE:
   case RunMode::EIGENVALUE:
-    err = openmc_run();
+    switch (settings::solver_type) {
+    case SolverType::MONTE_CARLO:
+      err = openmc_run();
+      break;
+    case SolverType::RANDOM_RAY:
+      openmc_run_random_ray();
+      err = 0;
+      break;
+    }
     break;
   case RunMode::PLOTTING:
     err = openmc_plot_geometry();
diff --git a/src/mesh.cpp b/src/mesh.cpp
index bc6781ad3..c6e421b42 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -582,7 +582,7 @@ void StructuredMesh::raytrace_mesh(
 
   // Compute the length of the entire track.
   double total_distance = (r1 - r0).norm();
-  if (total_distance == 0.0)
+  if (total_distance == 0.0 && settings::solver_type != SolverType::RANDOM_RAY)
     return;
 
   const int n = n_dimension_;
diff --git a/src/output.cpp b/src/output.cpp
index 9b4171d8d..b1b963f7d 100644
--- a/src/output.cpp
+++ b/src/output.cpp
@@ -31,6 +31,7 @@
 #include "openmc/mgxs_interface.h"
 #include "openmc/nuclide.h"
 #include "openmc/plot.h"
+#include "openmc/random_ray/flat_source_domain.h"
 #include "openmc/reaction.h"
 #include "openmc/settings.h"
 #include "openmc/simulation.h"
@@ -409,7 +410,7 @@ void print_generation()
 
 //==============================================================================
 
-void show_time(const char* label, double secs, int indent_level = 0)
+void show_time(const char* label, double secs, int indent_level)
 {
   int width = 33 - indent_level * 2;
   fmt::print("{0:{1}} {2:<{3}} = {4:>10.4e} seconds\n", "", 2 * indent_level,
diff --git a/src/random_ray/flat_source_domain.cpp b/src/random_ray/flat_source_domain.cpp
new file mode 100644
index 000000000..5e1194aa9
--- /dev/null
+++ b/src/random_ray/flat_source_domain.cpp
@@ -0,0 +1,686 @@
+#include "openmc/random_ray/flat_source_domain.h"
+
+#include "openmc/cell.h"
+#include "openmc/geometry.h"
+#include "openmc/message_passing.h"
+#include "openmc/mgxs_interface.h"
+#include "openmc/output.h"
+#include "openmc/plot.h"
+#include "openmc/random_ray/random_ray.h"
+#include "openmc/simulation.h"
+#include "openmc/tallies/filter.h"
+#include "openmc/tallies/tally.h"
+#include "openmc/tallies/tally_scoring.h"
+#include "openmc/timer.h"
+
+#include <cstdio>
+
+namespace openmc {
+
+//==============================================================================
+// FlatSourceDomain implementation
+//==============================================================================
+
+FlatSourceDomain::FlatSourceDomain() : negroups_(data::mg.num_energy_groups_)
+{
+  // Count the number of source regions, compute the cell offset
+  // indices, and store the material type The reason for the offsets is that
+  // some cell types may not have material fills, and therefore do not
+  // produce FSRs. Thus, we cannot index into the global arrays directly
+  for (const auto& c : model::cells) {
+    if (c->type_ != Fill::MATERIAL) {
+      source_region_offsets_.push_back(-1);
+    } else {
+      source_region_offsets_.push_back(n_source_regions_);
+      n_source_regions_ += c->n_instances_;
+      n_source_elements_ += c->n_instances_ * negroups_;
+    }
+  }
+
+  // Initialize cell-wise arrays
+  lock_.resize(n_source_regions_);
+  material_.resize(n_source_regions_);
+  position_recorded_.assign(n_source_regions_, 0);
+  position_.resize(n_source_regions_);
+  volume_.assign(n_source_regions_, 0.0);
+  volume_t_.assign(n_source_regions_, 0.0);
+  was_hit_.assign(n_source_regions_, 0);
+
+  // Initialize element-wise arrays
+  scalar_flux_new_.assign(n_source_elements_, 0.0);
+  scalar_flux_old_.assign(n_source_elements_, 1.0);
+  scalar_flux_final_.assign(n_source_elements_, 0.0);
+  source_.resize(n_source_elements_);
+  tally_task_.resize(n_source_elements_);
+
+  // Initialize material array
+  int64_t source_region_id = 0;
+  for (int i = 0; i < model::cells.size(); i++) {
+    Cell& cell = *model::cells[i];
+    if (cell.type_ == Fill::MATERIAL) {
+      for (int j = 0; j < cell.n_instances_; j++) {
+        material_[source_region_id++] = cell.material(j);
+      }
+    }
+  }
+
+  // Sanity check
+  if (source_region_id != n_source_regions_) {
+    fatal_error("Unexpected number of source regions");
+  }
+}
+
+void FlatSourceDomain::batch_reset()
+{
+  // Reset scalar fluxes, iteration volume tallies, and region hit flags to
+  // zero
+  parallel_fill<float>(scalar_flux_new_, 0.0f);
+  parallel_fill<double>(volume_, 0.0);
+  parallel_fill<int>(was_hit_, 0);
+}
+
+void FlatSourceDomain::accumulate_iteration_flux()
+{
+#pragma omp parallel for
+  for (int64_t se = 0; se < n_source_elements_; se++) {
+    scalar_flux_final_[se] += scalar_flux_new_[se];
+  }
+}
+
+// Compute new estimate of scattering + fission sources in each source region
+// based on the flux estimate from the previous iteration.
+void FlatSourceDomain::update_neutron_source(double k_eff)
+{
+  simulation::time_update_src.start();
+
+  double inverse_k_eff = 1.0 / k_eff;
+
+  // Temperature and angle indices, if using multiple temperature
+  // data sets and/or anisotropic data sets.
+  // TODO: Currently assumes we are only using single temp/single
+  // angle data.
+  const int t = 0;
+  const int a = 0;
+
+#pragma omp parallel for
+  for (int sr = 0; sr < n_source_regions_; sr++) {
+    int material = material_[sr];
+
+    for (int e_out = 0; e_out < negroups_; e_out++) {
+      float sigma_t = data::mg.macro_xs_[material].get_xs(
+        MgxsType::TOTAL, e_out, nullptr, nullptr, nullptr, t, a);
+      float scatter_source = 0.0f;
+      float fission_source = 0.0f;
+
+      for (int e_in = 0; e_in < negroups_; e_in++) {
+        float scalar_flux = scalar_flux_old_[sr * negroups_ + e_in];
+        float sigma_s = data::mg.macro_xs_[material].get_xs(
+          MgxsType::NU_SCATTER, e_in, &e_out, nullptr, nullptr, t, a);
+        float nu_sigma_f = data::mg.macro_xs_[material].get_xs(
+          MgxsType::NU_FISSION, e_in, nullptr, nullptr, nullptr, t, a);
+        float chi = data::mg.macro_xs_[material].get_xs(
+          MgxsType::CHI_PROMPT, e_in, &e_out, nullptr, nullptr, t, a);
+        scatter_source += sigma_s * scalar_flux;
+        fission_source += nu_sigma_f * scalar_flux * chi;
+      }
+
+      fission_source *= inverse_k_eff;
+      float new_isotropic_source = (scatter_source + fission_source) / sigma_t;
+      source_[sr * negroups_ + e_out] = new_isotropic_source;
+    }
+  }
+
+  simulation::time_update_src.stop();
+}
+
+// Normalizes flux and updates simulation-averaged volume estimate
+void FlatSourceDomain::normalize_scalar_flux_and_volumes(
+  double total_active_distance_per_iteration)
+{
+  float normalization_factor = 1.0 / total_active_distance_per_iteration;
+  double volume_normalization_factor =
+    1.0 / (total_active_distance_per_iteration * simulation::current_batch);
+
+// Normalize scalar flux to total distance travelled by all rays this iteration
+#pragma omp parallel for
+  for (int64_t e = 0; e < scalar_flux_new_.size(); e++) {
+    scalar_flux_new_[e] *= normalization_factor;
+  }
+
+// Accumulate cell-wise ray length tallies collected this iteration, then
+// update the simulation-averaged cell-wise volume estimates
+#pragma omp parallel for
+  for (int64_t sr = 0; sr < n_source_regions_; sr++) {
+    volume_t_[sr] += volume_[sr];
+    volume_[sr] = volume_t_[sr] * volume_normalization_factor;
+  }
+}
+
+// Combine transport flux contributions and flat source contributions from the
+// previous iteration to generate this iteration's estimate of scalar flux.
+int64_t FlatSourceDomain::add_source_to_scalar_flux()
+{
+  int64_t n_hits = 0;
+
+  // Temperature and angle indices, if using multiple temperature
+  // data sets and/or anisotropic data sets.
+  // TODO: Currently assumes we are only using single temp/single
+  // angle data.
+  const int t = 0;
+  const int a = 0;
+
+#pragma omp parallel for reduction(+ : n_hits)
+  for (int sr = 0; sr < n_source_regions_; sr++) {
+
+    // Check if this cell was hit this iteration
+    int was_cell_hit = was_hit_[sr];
+    if (was_cell_hit) {
+      n_hits++;
+    }
+
+    double volume = volume_[sr];
+    int material = material_[sr];
+    for (int g = 0; g < negroups_; g++) {
+      int64_t idx = (sr * negroups_) + g;
+
+      // There are three scenarios we need to consider:
+      if (was_cell_hit) {
+        // 1. If the FSR was hit this iteration, then the new flux is equal to
+        // the flat source from the previous iteration plus the contributions
+        // from rays passing through the source region (computed during the
+        // transport sweep)
+        float sigma_t = data::mg.macro_xs_[material].get_xs(
+          MgxsType::TOTAL, g, nullptr, nullptr, nullptr, t, a);
+        scalar_flux_new_[idx] /= (sigma_t * volume);
+        scalar_flux_new_[idx] += source_[idx];
+      } else if (volume > 0.0) {
+        // 2. If the FSR was not hit this iteration, but has been hit some
+        // previous iteration, then we simply set the new scalar flux to be
+        // equal to the contribution from the flat source alone.
+        scalar_flux_new_[idx] = source_[idx];
+      } else {
+        // If the FSR was not hit this iteration, and it has never been hit in
+        // any iteration (i.e., volume is zero), then we want to set this to 0
+        // to avoid dividing anything by a zero volume.
+        scalar_flux_new_[idx] = 0.0f;
+      }
+    }
+  }
+
+  // Return the number of source regions that were hit this iteration
+  return n_hits;
+}
+
+// Generates new estimate of k_eff based on the differences between this
+// iteration's estimate of the scalar flux and the last iteration's estimate.
+double FlatSourceDomain::compute_k_eff(double k_eff_old) const
+{
+  double fission_rate_old = 0;
+  double fission_rate_new = 0;
+
+  // Temperature and angle indices, if using multiple temperature
+  // data sets and/or anisotropic data sets.
+  // TODO: Currently assumes we are only using single temp/single
+  // angle data.
+  const int t = 0;
+  const int a = 0;
+
+#pragma omp parallel for reduction(+ : fission_rate_old, fission_rate_new)
+  for (int sr = 0; sr < n_source_regions_; sr++) {
+
+    // If simulation averaged volume is zero, don't include this cell
+    double volume = volume_[sr];
+    if (volume == 0.0) {
+      continue;
+    }
+
+    int material = material_[sr];
+
+    double sr_fission_source_old = 0;
+    double sr_fission_source_new = 0;
+
+    for (int g = 0; g < negroups_; g++) {
+      int64_t idx = (sr * negroups_) + g;
+      double nu_sigma_f = data::mg.macro_xs_[material].get_xs(
+        MgxsType::NU_FISSION, g, nullptr, nullptr, nullptr, t, a);
+      sr_fission_source_old += nu_sigma_f * scalar_flux_old_[idx];
+      sr_fission_source_new += nu_sigma_f * scalar_flux_new_[idx];
+    }
+
+    fission_rate_old += sr_fission_source_old * volume;
+    fission_rate_new += sr_fission_source_new * volume;
+  }
+
+  double k_eff_new = k_eff_old * (fission_rate_new / fission_rate_old);
+
+  return k_eff_new;
+}
+
+// This function is responsible for generating a mapping between random
+// ray flat source regions (cell instances) and tally bins. The mapping
+// takes the form of a "TallyTask" object, which accounts for one single
+// score being applied to a single tally. Thus, a single source region
+// may have anywhere from zero to many tally tasks associated with it ---
+// meaning that the global "tally_task" data structure is in 2D. The outer
+// dimension corresponds to the source element (i.e., each entry corresponds
+// to a specific energy group within a specific source region), and the
+// inner dimension corresponds to the tallying task itself. Mechanically,
+// the mapping between FSRs and spatial filters is done by considering
+// the location of a single known ray midpoint that passed through the
+// FSR. I.e., during transport, the first ray to pass through a given FSR
+// will write down its midpoint for use with this function. This is a cheap
+// and easy way of mapping FSRs to spatial tally filters, but comes with
+// the downside of adding the restriction that spatial tally filters must
+// share boundaries with the physical geometry of the simulation (so as
+// not to subdivide any FSR). It is acceptable for a spatial tally region
+// to contain multiple FSRs, but not the other way around.
+
+// TODO: In future work, it would be preferable to offer a more general
+// (but perhaps slightly more expensive) option for handling arbitrary
+// spatial tallies that would be allowed to subdivide FSRs.
+
+// Besides generating the mapping structure, this function also keeps track
+// of whether or not all flat source regions have been hit yet. This is
+// required, as there is no guarantee that all flat source regions will
+// be hit every iteration, such that in the first few iterations some FSRs
+// may not have a known position within them yet to facilitate mapping to
+// spatial tally filters. However, after several iterations, if all FSRs
+// have been hit and have had a tally map generated, then this status will
+// be passed back to the caller to alert them that this function doesn't
+// need to be called for the remainder of the simulation.
+
+void FlatSourceDomain::convert_source_regions_to_tallies()
+{
+  openmc::simulation::time_tallies.start();
+
+  // Tracks if we've generated a mapping yet for all source regions.
+  bool all_source_regions_mapped = true;
+
+// Attempt to generate mapping for all source regions
+#pragma omp parallel for
+  for (int sr = 0; sr < n_source_regions_; sr++) {
+
+    // If this source region has not been hit by a ray yet, then
+    // we aren't going to be able to map it, so skip it.
+    if (!position_recorded_[sr]) {
+      all_source_regions_mapped = false;
+      continue;
+    }
+
+    // A particle located at the recorded midpoint of a ray
+    // crossing through this source region is used to estabilish
+    // the spatial location of the source region
+    Particle p;
+    p.r() = position_[sr];
+    p.r_last() = position_[sr];
+    bool found = exhaustive_find_cell(p);
+
+    // Loop over energy groups (so as to support energy filters)
+    for (int g = 0; g < negroups_; g++) {
+
+      // Set particle to the current energy
+      p.g() = g;
+      p.g_last() = g;
+      p.E() = data::mg.energy_bin_avg_[p.g()];
+      p.E_last() = p.E();
+
+      int64_t source_element = sr * negroups_ + g;
+
+      // If this task has already been populated, we don't need to do
+      // it again.
+      if (tally_task_[source_element].size() > 0) {
+        continue;
+      }
+
+      // Loop over all active tallies. This logic is essentially identical
+      // to what happens when scanning for applicable tallies during
+      // MC transport.
+      for (auto i_tally : model::active_tallies) {
+        Tally& tally {*model::tallies[i_tally]};
+
+        // Initialize an iterator over valid filter bin combinations.
+        // If there are no valid combinations, use a continue statement
+        // to ensure we skip the assume_separate break below.
+        auto filter_iter = FilterBinIter(tally, p);
+        auto end = FilterBinIter(tally, true, &p.filter_matches());
+        if (filter_iter == end)
+          continue;
+
+        // Loop over filter bins.
+        for (; filter_iter != end; ++filter_iter) {
+          auto filter_index = filter_iter.index_;
+          auto filter_weight = filter_iter.weight_;
+
+          // Loop over scores
+          for (auto score_index = 0; score_index < tally.scores_.size();
+               score_index++) {
+            auto score_bin = tally.scores_[score_index];
+            // If a valid tally, filter, and score cobination has been found,
+            // then add it to the list of tally tasks for this source element.
+            tally_task_[source_element].emplace_back(
+              i_tally, filter_index, score_index, score_bin);
+          }
+        }
+      }
+      // Reset all the filter matches for the next tally event.
+      for (auto& match : p.filter_matches())
+        match.bins_present_ = false;
+    }
+  }
+  openmc::simulation::time_tallies.stop();
+
+  mapped_all_tallies_ = all_source_regions_mapped;
+}
+
+// Tallying in random ray is not done directly during transport, rather,
+// it is done only once after each power iteration. This is made possible
+// by way of a mapping data structure that relates spatial source regions
+// (FSRs) to tally/filter/score combinations. The mechanism by which the
+// mapping is done (and the limitations incurred) is documented in the
+// "convert_source_regions_to_tallies()" function comments above. The present
+// tally function simply traverses the mapping data structure and executes
+// the scoring operations to OpenMC's native tally result arrays.
+
+void FlatSourceDomain::random_ray_tally() const
+{
+  openmc::simulation::time_tallies.start();
+
+  // Temperature and angle indices, if using multiple temperature
+  // data sets and/or anisotropic data sets.
+  // TODO: Currently assumes we are only using single temp/single
+  // angle data.
+  const int t = 0;
+  const int a = 0;
+
+// We loop over all source regions and energy groups. For each
+// element, we check if there are any scores needed and apply
+// them.
+#pragma omp parallel for
+  for (int sr = 0; sr < n_source_regions_; sr++) {
+    double volume = volume_[sr];
+    double material = material_[sr];
+    for (int g = 0; g < negroups_; g++) {
+      int idx = sr * negroups_ + g;
+      double flux = scalar_flux_new_[idx] * volume;
+      for (auto& task : tally_task_[idx]) {
+        double score;
+        switch (task.score_type) {
+
+        case SCORE_FLUX:
+          score = flux;
+          break;
+
+        case SCORE_TOTAL:
+          score = flux * data::mg.macro_xs_[material].get_xs(
+                           MgxsType::TOTAL, g, NULL, NULL, NULL, t, a);
+          break;
+
+        case SCORE_FISSION:
+          score = flux * data::mg.macro_xs_[material].get_xs(
+                           MgxsType::FISSION, g, NULL, NULL, NULL, t, a);
+          break;
+
+        case SCORE_NU_FISSION:
+          score = flux * data::mg.macro_xs_[material].get_xs(
+                           MgxsType::NU_FISSION, g, NULL, NULL, NULL, t, a);
+          break;
+
+        case SCORE_EVENTS:
+          score = 1.0;
+          break;
+
+        default:
+          fatal_error("Invalid score specified in tallies.xml. Only flux, "
+                      "total, fission, nu-fission, and events are supported in "
+                      "random ray mode.");
+          break;
+        }
+        Tally& tally {*model::tallies[task.tally_idx]};
+#pragma omp atomic
+        tally.results_(task.filter_idx, task.score_idx, TallyResult::VALUE) +=
+          score;
+      }
+    }
+  }
+}
+
+void FlatSourceDomain::all_reduce_replicated_source_regions()
+{
+#ifdef OPENMC_MPI
+
+  // If we only have 1 MPI rank, no need
+  // to reduce anything.
+  if (mpi::n_procs <= 1)
+    return;
+
+  simulation::time_bank_sendrecv.start();
+
+  // The "position_recorded" variable needs to be allreduced (and maxed),
+  // as whether or not a cell was hit will affect some decisions in how the
+  // source is calculated in the next iteration so as to avoid dividing
+  // by zero. We take the max rather than the sum as the hit values are
+  // expected to be zero or 1.
+  MPI_Allreduce(MPI_IN_PLACE, position_recorded_.data(), n_source_regions_,
+    MPI_INT, MPI_MAX, mpi::intracomm);
+
+  // The position variable is more complicated to reduce than the others,
+  // as we do not want the sum of all positions in each cell, rather, we
+  // want to just pick any single valid position. Thus, we perform a gather
+  // and then pick the first valid position we find for all source regions
+  // that have had a position recorded. This operation does not need to
+  // be broadcast back to other ranks, as this value is only used for the
+  // tally conversion operation, which is only performed on the master rank.
+  // While this is expensive, it only needs to be done for active batches,
+  // and only if we have not mapped all the tallies yet. Once tallies are
+  // fully mapped, then the position vector is fully populated, so this
+  // operation can be skipped.
+
+  // First, we broadcast the fully mapped tally status variable so that
+  // all ranks are on the same page
+  int mapped_all_tallies_i = static_cast<int>(mapped_all_tallies_);
+  MPI_Bcast(&mapped_all_tallies_i, 1, MPI_INT, 0, mpi::intracomm);
+
+  // Then, we perform the gather of position data, if needed
+  if (simulation::current_batch > settings::n_inactive &&
+      !mapped_all_tallies_i) {
+
+    // Master rank will gather results and pick valid positions
+    if (mpi::master) {
+      // Initialize temporary vector for receiving positions
+      vector<vector<Position>> all_position;
+      all_position.resize(mpi::n_procs);
+      for (int i = 0; i < mpi::n_procs; i++) {
+        all_position[i].resize(n_source_regions_);
+      }
+
+      // Copy master rank data into gathered vector for convenience
+      all_position[0] = position_;
+
+      // Receive all data into gather vector
+      for (int i = 1; i < mpi::n_procs; i++) {
+        MPI_Recv(all_position[i].data(), n_source_regions_ * 3, MPI_DOUBLE, i,
+          0, mpi::intracomm, MPI_STATUS_IGNORE);
+      }
+
+      // Scan through gathered data and pick first valid cell posiiton
+      for (int sr = 0; sr < n_source_regions_; sr++) {
+        if (position_recorded_[sr] == 1) {
+          for (int i = 0; i < mpi::n_procs; i++) {
+            if (all_position[i][sr].x != 0.0 || all_position[i][sr].y != 0.0 ||
+                all_position[i][sr].z != 0.0) {
+              position_[sr] = all_position[i][sr];
+              break;
+            }
+          }
+        }
+      }
+    } else {
+      // Other ranks just send in their data
+      MPI_Send(position_.data(), n_source_regions_ * 3, MPI_DOUBLE, 0, 0,
+        mpi::intracomm);
+    }
+  }
+
+  // For the rest of the source region data, we simply perform an all reduce,
+  // as these values will be needed on all ranks for transport during the
+  // next iteration.
+  MPI_Allreduce(MPI_IN_PLACE, volume_.data(), n_source_regions_, MPI_DOUBLE,
+    MPI_SUM, mpi::intracomm);
+
+  MPI_Allreduce(MPI_IN_PLACE, was_hit_.data(), n_source_regions_, MPI_INT,
+    MPI_SUM, mpi::intracomm);
+
+  MPI_Allreduce(MPI_IN_PLACE, scalar_flux_new_.data(), n_source_elements_,
+    MPI_FLOAT, MPI_SUM, mpi::intracomm);
+
+  simulation::time_bank_sendrecv.stop();
+#endif
+}
+
+// Outputs all basic material, FSR ID, multigroup flux, and
+// fission source data to .vtk file that can be directly
+// loaded and displayed by Paraview. Note that .vtk binary
+// files require big endian byte ordering, so endianness
+// is checked and flipped if necessary.
+void FlatSourceDomain::output_to_vtk() const
+{
+  // Rename .h5 plot filename(s) to .vtk filenames
+  for (int p = 0; p < model::plots.size(); p++) {
+    PlottableInterface* plot = model::plots[p].get();
+    plot->path_plot() =
+      plot->path_plot().substr(0, plot->path_plot().find_last_of('.')) + ".vtk";
+  }
+
+  // Print header information
+  print_plot();
+
+  // Outer loop over plots
+  for (int p = 0; p < model::plots.size(); p++) {
+
+    // Get handle to OpenMC plot object and extract params
+    Plot* openmc_plot = dynamic_cast<Plot*>(model::plots[p].get());
+
+    // Random ray plots only support voxel plots
+    if (!openmc_plot) {
+      warning(fmt::format("Plot {} is invalid plot type -- only voxel plotting "
+                          "is allowed in random ray mode.",
+        p));
+      continue;
+    } else if (openmc_plot->type_ != Plot::PlotType::voxel) {
+      warning(fmt::format("Plot {} is invalid plot type -- only voxel plotting "
+                          "is allowed in random ray mode.",
+        p));
+      continue;
+    }
+
+    int Nx = openmc_plot->pixels_[0];
+    int Ny = openmc_plot->pixels_[1];
+    int Nz = openmc_plot->pixels_[2];
+    Position origin = openmc_plot->origin_;
+    Position width = openmc_plot->width_;
+    Position ll = origin - width / 2.0;
+    double x_delta = width.x / Nx;
+    double y_delta = width.y / Ny;
+    double z_delta = width.z / Nz;
+    std::string filename = openmc_plot->path_plot();
+
+    // Perform sanity checks on file size
+    uint64_t bytes = Nx * Ny * Nz * (negroups_ + 1 + 1 + 1) * sizeof(float);
+    write_message(5, "Processing plot {}: {}... (Estimated size is {} MB)",
+      openmc_plot->id(), filename, bytes / 1.0e6);
+    if (bytes / 1.0e9 > 1.0) {
+      warning("Voxel plot specification is very large (>1 GB). Plotting may be "
+              "slow.");
+    } else if (bytes / 1.0e9 > 100.0) {
+      fatal_error("Voxel plot specification is too large (>100 GB). Exiting.");
+    }
+
+    // Relate voxel spatial locations to random ray source regions
+    vector<int> voxel_indices(Nx * Ny * Nz);
+
+#pragma omp parallel for collapse(3)
+    for (int z = 0; z < Nz; z++) {
+      for (int y = 0; y < Ny; y++) {
+        for (int x = 0; x < Nx; x++) {
+          Position sample;
+          sample.z = ll.z + z_delta / 2.0 + z * z_delta;
+          sample.y = ll.y + y_delta / 2.0 + y * y_delta;
+          sample.x = ll.x + x_delta / 2.0 + x * x_delta;
+          Particle p;
+          p.r() = sample;
+          bool found = exhaustive_find_cell(p);
+          int i_cell = p.lowest_coord().cell;
+          int64_t source_region_idx =
+            source_region_offsets_[i_cell] + p.cell_instance();
+          voxel_indices[z * Ny * Nx + y * Nx + x] = source_region_idx;
+        }
+      }
+    }
+
+    // Open file for writing
+    std::FILE* plot = std::fopen(filename.c_str(), "wb");
+
+    // Write vtk metadata
+    std::fprintf(plot, "# vtk DataFile Version 2.0\n");
+    std::fprintf(plot, "Dataset File\n");
+    std::fprintf(plot, "BINARY\n");
+    std::fprintf(plot, "DATASET STRUCTURED_POINTS\n");
+    std::fprintf(plot, "DIMENSIONS %d %d %d\n", Nx, Ny, Nz);
+    std::fprintf(plot, "ORIGIN 0 0 0\n");
+    std::fprintf(plot, "SPACING %lf %lf %lf\n", x_delta, y_delta, z_delta);
+    std::fprintf(plot, "POINT_DATA %d\n", Nx * Ny * Nz);
+
+    // Plot multigroup flux data
+    for (int g = 0; g < negroups_; g++) {
+      std::fprintf(plot, "SCALARS flux_group_%d float\n", g);
+      std::fprintf(plot, "LOOKUP_TABLE default\n");
+      for (int fsr : voxel_indices) {
+        int64_t source_element = fsr * negroups_ + g;
+        float flux = scalar_flux_final_[source_element];
+        flux /= (settings::n_batches - settings::n_inactive);
+        flux = convert_to_big_endian<float>(flux);
+        std::fwrite(&flux, sizeof(float), 1, plot);
+      }
+    }
+
+    // Plot FSRs
+    std::fprintf(plot, "SCALARS FSRs float\n");
+    std::fprintf(plot, "LOOKUP_TABLE default\n");
+    for (int fsr : voxel_indices) {
+      float value = future_prn(10, fsr);
+      value = convert_to_big_endian<float>(value);
+      std::fwrite(&value, sizeof(float), 1, plot);
+    }
+
+    // Plot Materials
+    std::fprintf(plot, "SCALARS Materials int\n");
+    std::fprintf(plot, "LOOKUP_TABLE default\n");
+    for (int fsr : voxel_indices) {
+      int mat = material_[fsr];
+      mat = convert_to_big_endian<int>(mat);
+      std::fwrite(&mat, sizeof(int), 1, plot);
+    }
+
+    // Plot fission source
+    std::fprintf(plot, "SCALARS total_fission_source float\n");
+    std::fprintf(plot, "LOOKUP_TABLE default\n");
+    for (int fsr : voxel_indices) {
+      float total_fission = 0.0;
+      int mat = material_[fsr];
+      for (int g = 0; g < negroups_; g++) {
+        int64_t source_element = fsr * negroups_ + g;
+        float flux = scalar_flux_final_[source_element];
+        flux /= (settings::n_batches - settings::n_inactive);
+        float Sigma_f = data::mg.macro_xs_[mat].get_xs(
+          MgxsType::FISSION, g, nullptr, nullptr, nullptr, 0, 0);
+        total_fission += Sigma_f * flux;
+      }
+      total_fission = convert_to_big_endian<float>(total_fission);
+      std::fwrite(&total_fission, sizeof(float), 1, plot);
+    }
+
+    std::fclose(plot);
+  }
+}
+
+} // namespace openmc
diff --git a/src/random_ray/random_ray.cpp b/src/random_ray/random_ray.cpp
new file mode 100644
index 000000000..f471c7551
--- /dev/null
+++ b/src/random_ray/random_ray.cpp
@@ -0,0 +1,289 @@
+#include "openmc/random_ray/random_ray.h"
+
+#include "openmc/geometry.h"
+#include "openmc/message_passing.h"
+#include "openmc/mgxs_interface.h"
+#include "openmc/random_ray/flat_source_domain.h"
+#include "openmc/search.h"
+#include "openmc/settings.h"
+#include "openmc/simulation.h"
+#include "openmc/source.h"
+
+namespace openmc {
+
+//==============================================================================
+// Non-method functions
+//==============================================================================
+
+// returns 1 - exp(-tau)
+// Equivalent to -(_expm1f(-tau)), but faster
+// Written by Colin Josey.
+float cjosey_exponential(float tau)
+{
+  constexpr float c1n = -1.0000013559236386308f;
+  constexpr float c2n = 0.23151368626911062025f;
+  constexpr float c3n = -0.061481916409314966140f;
+  constexpr float c4n = 0.0098619906458127653020f;
+  constexpr float c5n = -0.0012629460503540849940f;
+  constexpr float c6n = 0.00010360973791574984608f;
+  constexpr float c7n = -0.000013276571933735820960f;
+
+  constexpr float c0d = 1.0f;
+  constexpr float c1d = -0.73151337729389001396f;
+  constexpr float c2d = 0.26058381273536471371f;
+  constexpr float c3d = -0.059892419041316836940f;
+  constexpr float c4d = 0.0099070188241094279067f;
+  constexpr float c5d = -0.0012623388962473160860f;
+  constexpr float c6d = 0.00010361277635498731388f;
+  constexpr float c7d = -0.000013276569500666698498f;
+
+  float x = -tau;
+
+  float den = c7d;
+  den = den * x + c6d;
+  den = den * x + c5d;
+  den = den * x + c4d;
+  den = den * x + c3d;
+  den = den * x + c2d;
+  den = den * x + c1d;
+  den = den * x + c0d;
+
+  float num = c7n;
+  num = num * x + c6n;
+  num = num * x + c5n;
+  num = num * x + c4n;
+  num = num * x + c3n;
+  num = num * x + c2n;
+  num = num * x + c1n;
+  num = num * x;
+
+  return num / den;
+}
+
+//==============================================================================
+// RandomRay implementation
+//==============================================================================
+
+// Static Variable Declarations
+double RandomRay::distance_inactive_;
+double RandomRay::distance_active_;
+unique_ptr<Source> RandomRay::ray_source_;
+
+RandomRay::RandomRay()
+  : negroups_(data::mg.num_energy_groups_),
+    angular_flux_(data::mg.num_energy_groups_),
+    delta_psi_(data::mg.num_energy_groups_)
+{}
+
+RandomRay::RandomRay(uint64_t ray_id, FlatSourceDomain* domain) : RandomRay()
+{
+  initialize_ray(ray_id, domain);
+}
+
+// Transports ray until termination criteria are met
+uint64_t RandomRay::transport_history_based_single_ray()
+{
+  using namespace openmc;
+  while (alive()) {
+    event_advance_ray();
+    if (!alive())
+      break;
+    event_cross_surface();
+  }
+
+  return n_event();
+}
+
+// Transports ray across a single source region
+void RandomRay::event_advance_ray()
+{
+  // Find the distance to the nearest boundary
+  boundary() = distance_to_boundary(*this);
+  double distance = boundary().distance;
+
+  if (distance <= 0.0) {
+    mark_as_lost("Negative transport distance detected for particle " +
+                 std::to_string(id()));
+    return;
+  }
+
+  if (is_active_) {
+    // If the ray is in the active length, need to check if it has
+    // reached its maximum termination distance. If so, reduce
+    // the ray traced length so that the ray does not overrun the
+    // maximum numerical length (so as to avoid numerical bias).
+    if (distance_travelled_ + distance >= distance_active_) {
+      distance = distance_active_ - distance_travelled_;
+      wgt() = 0.0;
+    }
+
+    distance_travelled_ += distance;
+    attenuate_flux(distance, true);
+  } else {
+    // If the ray is still in the dead zone, need to check if it
+    // has entered the active phase. If so, split into two segments (one
+    // representing the final part of the dead zone, the other representing the
+    // first part of the active length) and attenuate each. Otherwise, if the
+    // full length of the segment is within the dead zone, attenuate as normal.
+    if (distance_travelled_ + distance >= distance_inactive_) {
+      is_active_ = true;
+      double distance_dead = distance_inactive_ - distance_travelled_;
+      attenuate_flux(distance_dead, false);
+
+      double distance_alive = distance - distance_dead;
+
+      // Ensure we haven't travelled past the active phase as well
+      if (distance_alive > distance_active_) {
+        distance_alive = distance_active_;
+        wgt() = 0.0;
+      }
+
+      attenuate_flux(distance_alive, true);
+      distance_travelled_ = distance_alive;
+    } else {
+      distance_travelled_ += distance;
+      attenuate_flux(distance, false);
+    }
+  }
+
+  // Advance particle
+  for (int j = 0; j < n_coord(); ++j) {
+    coord(j).r += distance * coord(j).u;
+  }
+}
+
+// This function forms the inner loop of the random ray transport process.
+// It is responsible for several tasks. Based on the incoming angular flux
+// of the ray and the source term in the region, the outgoing angular flux
+// is computed. The delta psi between the incoming and outgoing fluxes is
+// contributed to the estimate of the total scalar flux in the source region.
+// Additionally, the contribution of the ray path to the stochastically
+// estimated volume is also kept track of. All tasks involving writing
+// to the data for the source region are done with a lock over the entire
+// source region.  Locks are used instead of atomics as all energy groups
+// must be written, such that locking once is typically much more efficient
+// than use of many atomic operations corresponding to each energy group
+// individually (at least on CPU). Several other bookkeeping tasks are also
+// performed when inside the lock.
+void RandomRay::attenuate_flux(double distance, bool is_active)
+{
+  // The number of geometric intersections is counted for reporting purposes
+  n_event()++;
+
+  // Determine source region index etc.
+  int i_cell = lowest_coord().cell;
+
+  // The source region is the spatial region index
+  int64_t source_region =
+    domain_->source_region_offsets_[i_cell] + cell_instance();
+
+  // The source element is the energy-specific region index
+  int64_t source_element = source_region * negroups_;
+  int material = this->material();
+
+  // Temperature and angle indices, if using multiple temperature
+  // data sets and/or anisotropic data sets.
+  // TODO: Currently assumes we are only using single temp/single
+  // angle data.
+  const int t = 0;
+  const int a = 0;
+
+  // MOC incoming flux attenuation + source contribution/attenuation equation
+  for (int g = 0; g < negroups_; g++) {
+    float sigma_t = data::mg.macro_xs_[material].get_xs(
+      MgxsType::TOTAL, g, NULL, NULL, NULL, t, a);
+    float tau = sigma_t * distance;
+    float exponential = cjosey_exponential(tau); // exponential = 1 - exp(-tau)
+    float new_delta_psi =
+      (angular_flux_[g] - domain_->source_[source_element + g]) * exponential;
+    delta_psi_[g] = new_delta_psi;
+    angular_flux_[g] -= new_delta_psi;
+  }
+
+  // If ray is in the active phase (not in dead zone), make contributions to
+  // source region bookkeeping
+  if (is_active) {
+
+    // Aquire lock for source region
+    domain_->lock_[source_region].lock();
+
+    // Accumulate delta psi into new estimate of source region flux for
+    // this iteration
+    for (int g = 0; g < negroups_; g++) {
+      domain_->scalar_flux_new_[source_element + g] += delta_psi_[g];
+    }
+
+    // If the source region hasn't been hit yet this iteration,
+    // indicate that it now has
+    if (domain_->was_hit_[source_region] == 0) {
+      domain_->was_hit_[source_region] = 1;
+    }
+
+    // Accomulate volume (ray distance) into this iteration's estimate
+    // of the source region's volume
+    domain_->volume_[source_region] += distance;
+
+    // Tally valid position inside the source region (e.g., midpoint of
+    // the ray) if not done already
+    if (!domain_->position_recorded_[source_region]) {
+      Position midpoint = r() + u() * (distance / 2.0);
+      domain_->position_[source_region] = midpoint;
+      domain_->position_recorded_[source_region] = 1;
+    }
+
+    // Release lock
+    domain_->lock_[source_region].unlock();
+  }
+}
+
+void RandomRay::initialize_ray(uint64_t ray_id, FlatSourceDomain* domain)
+{
+  domain_ = domain;
+
+  // Reset particle event counter
+  n_event() = 0;
+
+  is_active_ = (distance_inactive_ <= 0.0);
+
+  wgt() = 1.0;
+
+  // set identifier for particle
+  id() = simulation::work_index[mpi::rank] + ray_id;
+
+  // set random number seed
+  int64_t particle_seed =
+    (simulation::current_batch - 1) * settings::n_particles + id();
+  init_particle_seeds(particle_seed, seeds());
+  stream() = STREAM_TRACKING;
+
+  // Sample from ray source distribution
+  SourceSite site {ray_source_->sample(current_seed())};
+  site.E = lower_bound_index(
+    data::mg.rev_energy_bins_.begin(), data::mg.rev_energy_bins_.end(), site.E);
+  site.E = negroups_ - site.E - 1.;
+  this->from_source(&site);
+
+  // Locate ray
+  if (lowest_coord().cell == C_NONE) {
+    if (!exhaustive_find_cell(*this)) {
+      this->mark_as_lost(
+        "Could not find the cell containing particle " + std::to_string(id()));
+    }
+
+    // Set birth cell attribute
+    if (cell_born() == C_NONE)
+      cell_born() = lowest_coord().cell;
+  }
+
+  // Initialize ray's starting angular flux to starting location's isotropic
+  // source
+  int i_cell = lowest_coord().cell;
+  int64_t source_region_idx =
+    domain_->source_region_offsets_[i_cell] + cell_instance();
+
+  for (int g = 0; g < negroups_; g++) {
+    angular_flux_[g] = domain_->source_[source_region_idx * negroups_ + g];
+  }
+}
+
+} // namespace openmc
diff --git a/src/random_ray/random_ray_simulation.cpp b/src/random_ray/random_ray_simulation.cpp
new file mode 100644
index 000000000..b9fd93a48
--- /dev/null
+++ b/src/random_ray/random_ray_simulation.cpp
@@ -0,0 +1,397 @@
+#include "openmc/random_ray/random_ray_simulation.h"
+
+#include "openmc/eigenvalue.h"
+#include "openmc/geometry.h"
+#include "openmc/message_passing.h"
+#include "openmc/mgxs_interface.h"
+#include "openmc/output.h"
+#include "openmc/plot.h"
+#include "openmc/random_ray/random_ray.h"
+#include "openmc/simulation.h"
+#include "openmc/source.h"
+#include "openmc/tallies/filter.h"
+#include "openmc/tallies/tally.h"
+#include "openmc/tallies/tally_scoring.h"
+#include "openmc/timer.h"
+
+namespace openmc {
+
+//==============================================================================
+// Non-member functions
+//==============================================================================
+
+void openmc_run_random_ray()
+{
+  // Initialize OpenMC general data structures
+  openmc_simulation_init();
+
+  // Validate that inputs meet requirements for random ray mode
+  if (mpi::master)
+    validate_random_ray_inputs();
+
+  // Initialize Random Ray Simulation Object
+  RandomRaySimulation sim;
+
+  // Begin main simulation timer
+  simulation::time_total.start();
+
+  // Execute random ray simulation
+  sim.simulate();
+
+  // End main simulation timer
+  openmc::simulation::time_total.stop();
+
+  // Finalize OpenMC
+  openmc_simulation_finalize();
+
+  // Reduce variables across MPI ranks
+  sim.reduce_simulation_statistics();
+
+  // Output all simulation results
+  sim.output_simulation_results();
+}
+
+// Enforces restrictions on inputs in random ray mode.  While there are
+// many features that don't make sense in random ray mode, and are therefore
+// unsupported, we limit our testing/enforcement operations only to inputs
+// that may cause erroneous/misleading output or crashes from the solver.
+void validate_random_ray_inputs()
+{
+  // Validate tallies
+  ///////////////////////////////////////////////////////////////////
+  for (auto& tally : model::tallies) {
+
+    // Validate score types
+    for (auto score_bin : tally->scores_) {
+      switch (score_bin) {
+      case SCORE_FLUX:
+      case SCORE_TOTAL:
+      case SCORE_FISSION:
+      case SCORE_NU_FISSION:
+      case SCORE_EVENTS:
+        break;
+      default:
+        fatal_error(
+          "Invalid score specified. Only flux, total, fission, nu-fission, and "
+          "event scores are supported in random ray mode.");
+      }
+    }
+
+    // Validate filter types
+    for (auto f : tally->filters()) {
+      auto& filter = *model::tally_filters[f];
+
+      switch (filter.type()) {
+      case FilterType::CELL:
+      case FilterType::CELL_INSTANCE:
+      case FilterType::DISTRIBCELL:
+      case FilterType::ENERGY:
+      case FilterType::MATERIAL:
+      case FilterType::MESH:
+      case FilterType::UNIVERSE:
+        break;
+      default:
+        fatal_error("Invalid filter specified. Only cell, cell_instance, "
+                    "distribcell, energy, material, mesh, and universe filters "
+                    "are supported in random ray mode.");
+      }
+    }
+  }
+
+  // Validate MGXS data
+  ///////////////////////////////////////////////////////////////////
+  for (auto& material : data::mg.macro_xs_) {
+    if (!material.is_isotropic) {
+      fatal_error("Anisotropic MGXS detected. Only isotropic XS data sets "
+                  "supported in random ray mode.");
+    }
+    if (material.get_xsdata().size() > 1) {
+      fatal_error("Non-isothermal MGXS detected. Only isothermal XS data sets "
+                  "supported in random ray mode.");
+    }
+  }
+
+  // Validate solver mode
+  ///////////////////////////////////////////////////////////////////
+  if (settings::run_mode == RunMode::FIXED_SOURCE) {
+    fatal_error(
+      "Invalid run mode. Fixed source not yet supported in random ray mode.");
+  }
+
+  // Validate ray source
+  ///////////////////////////////////////////////////////////////////
+
+  // Check for independent source
+  IndependentSource* is =
+    dynamic_cast<IndependentSource*>(RandomRay::ray_source_.get());
+  if (!is) {
+    fatal_error(
+      "Invalid ray source definition. Ray source must be IndependentSource.");
+  }
+
+  // Check for box source
+  SpatialDistribution* space_dist = is->space();
+  SpatialBox* sb = dynamic_cast<SpatialBox*>(space_dist);
+  if (!sb) {
+    fatal_error(
+      "Invalid source definition -- only box sources are allowed in random "
+      "ray "
+      "mode. If no source is specified, OpenMC default is an isotropic point "
+      "source at the origin, which is invalid in random ray mode.");
+  }
+
+  // Check that box source is not restricted to fissionable areas
+  if (sb->only_fissionable()) {
+    fatal_error("Invalid source definition -- fissionable spatial distribution "
+                "not allowed for random ray source.");
+  }
+
+  // Check for isotropic source
+  UnitSphereDistribution* angle_dist = is->angle();
+  Isotropic* id = dynamic_cast<Isotropic*>(angle_dist);
+  if (!id) {
+    fatal_error("Invalid source definition -- only isotropic sources are "
+                "allowed for random ray source.");
+  }
+
+  // Validate plotting files
+  ///////////////////////////////////////////////////////////////////
+  for (int p = 0; p < model::plots.size(); p++) {
+
+    // Get handle to OpenMC plot object
+    Plot* openmc_plot = dynamic_cast<Plot*>(model::plots[p].get());
+
+    // Random ray plots only support voxel plots
+    if (!openmc_plot) {
+      warning(fmt::format(
+        "Plot {} will not be used for end of simulation data plotting -- only "
+        "voxel plotting is allowed in random ray mode.",
+        p));
+      continue;
+    } else if (openmc_plot->type_ != Plot::PlotType::voxel) {
+      warning(fmt::format(
+        "Plot {} will not be used for end of simulation data plotting -- only "
+        "voxel plotting is allowed in random ray mode.",
+        p));
+      continue;
+    }
+  }
+
+  // Warn about slow MPI domain replication, if detected
+  ///////////////////////////////////////////////////////////////////
+#ifdef OPENMC_MPI
+  if (mpi::n_procs > 1) {
+    warning(
+      "Domain replication in random ray is supported, but suffers from poor "
+      "scaling of source all-reduce operations. Performance may severely "
+      "degrade beyond just a few MPI ranks. Domain decomposition may be "
+      "implemented in the future to provide efficient scaling.");
+  }
+#endif
+}
+
+//==============================================================================
+// RandomRaySimulation implementation
+//==============================================================================
+
+RandomRaySimulation::RandomRaySimulation()
+  : negroups_(data::mg.num_energy_groups_)
+{
+  // There are no source sites in random ray mode, so be sure to disable to
+  // ensure we don't attempt to write source sites to statepoint
+  settings::source_write = false;
+
+  // Random ray mode does not have an inner loop over generations within a
+  // batch, so set the current gen to 1
+  simulation::current_gen = 1;
+}
+
+void RandomRaySimulation::simulate()
+{
+  // Random ray power iteration loop
+  while (simulation::current_batch < settings::n_batches) {
+
+    // Initialize the current batch
+    initialize_batch();
+    initialize_generation();
+
+    // Reset total starting particle weight used for normalizing tallies
+    simulation::total_weight = 1.0;
+
+    // Update source term (scattering + fission)
+    domain_.update_neutron_source(k_eff_);
+
+    // Reset scalar fluxes, iteration volume tallies, and region hit flags to
+    // zero
+    domain_.batch_reset();
+
+    // Start timer for transport
+    simulation::time_transport.start();
+
+// Transport sweep over all random rays for the iteration
+#pragma omp parallel for schedule(dynamic)                                     \
+  reduction(+ : total_geometric_intersections_)
+    for (int i = 0; i < simulation::work_per_rank; i++) {
+      RandomRay ray(i, &domain_);
+      total_geometric_intersections_ +=
+        ray.transport_history_based_single_ray();
+    }
+
+    simulation::time_transport.stop();
+
+    // If using multiple MPI ranks, perform all reduce on all transport results
+    domain_.all_reduce_replicated_source_regions();
+
+    // Normalize scalar flux and update volumes
+    domain_.normalize_scalar_flux_and_volumes(
+      settings::n_particles * RandomRay::distance_active_);
+
+    // Add source to scalar flux, compute number of FSR hits
+    int64_t n_hits = domain_.add_source_to_scalar_flux();
+
+    // Compute random ray k-eff
+    k_eff_ = domain_.compute_k_eff(k_eff_);
+
+    // Store random ray k-eff into OpenMC's native k-eff variable
+    global_tally_tracklength = k_eff_;
+
+    // Execute all tallying tasks, if this is an active batch
+    if (simulation::current_batch > settings::n_inactive && mpi::master) {
+
+      // Generate mapping between source regions and tallies
+      if (!domain_.mapped_all_tallies_) {
+        domain_.convert_source_regions_to_tallies();
+      }
+
+      // Use above mapping to contribute FSR flux data to appropriate tallies
+      domain_.random_ray_tally();
+
+      // Add this iteration's scalar flux estimate to final accumulated estimate
+      domain_.accumulate_iteration_flux();
+    }
+
+    // Set phi_old = phi_new
+    domain_.scalar_flux_old_.swap(domain_.scalar_flux_new_);
+
+    // Check for any obvious insabilities/nans/infs
+    instability_check(n_hits, k_eff_, avg_miss_rate_);
+
+    // Finalize the current batch
+    finalize_generation();
+    finalize_batch();
+  } // End random ray power iteration loop
+}
+
+void RandomRaySimulation::reduce_simulation_statistics()
+{
+  // Reduce number of intersections
+#ifdef OPENMC_MPI
+  if (mpi::n_procs > 1) {
+    uint64_t total_geometric_intersections_reduced = 0;
+    MPI_Reduce(&total_geometric_intersections_,
+      &total_geometric_intersections_reduced, 1, MPI_UNSIGNED_LONG, MPI_SUM, 0,
+      mpi::intracomm);
+    total_geometric_intersections_ = total_geometric_intersections_reduced;
+  }
+#endif
+}
+
+void RandomRaySimulation::output_simulation_results() const
+{
+  // Print random ray results
+  if (mpi::master) {
+    print_results_random_ray(total_geometric_intersections_,
+      avg_miss_rate_ / settings::n_batches, negroups_,
+      domain_.n_source_regions_);
+    if (model::plots.size() > 0) {
+      domain_.output_to_vtk();
+    }
+  }
+}
+
+// Apply a few sanity checks to catch obvious cases of numerical instability.
+// Instability typically only occurs if ray density is extremely low.
+void RandomRaySimulation::instability_check(
+  int64_t n_hits, double k_eff, double& avg_miss_rate) const
+{
+  double percent_missed = ((domain_.n_source_regions_ - n_hits) /
+                            static_cast<double>(domain_.n_source_regions_)) *
+                          100.0;
+  avg_miss_rate += percent_missed;
+
+  if (percent_missed > 10.0) {
+    warning(fmt::format(
+      "Very high FSR miss rate detected ({:.3f}%). Instability may occur. "
+      "Increase ray density by adding more rays and/or active distance.",
+      percent_missed));
+  } else if (percent_missed > 0.01) {
+    warning(fmt::format("Elevated FSR miss rate detected ({:.3f}%). Increasing "
+                        "ray density by adding more rays and/or active "
+                        "distance may improve simulation efficiency.",
+      percent_missed));
+  }
+
+  if (k_eff > 10.0 || k_eff < 0.01 || !(std::isfinite(k_eff))) {
+    fatal_error("Instability detected");
+  }
+}
+
+// Print random ray simulation results
+void RandomRaySimulation::print_results_random_ray(
+  uint64_t total_geometric_intersections, double avg_miss_rate, int negroups,
+  int64_t n_source_regions) const
+{
+  using namespace simulation;
+
+  if (settings::verbosity >= 6) {
+    double total_integrations = total_geometric_intersections * negroups;
+    double time_per_integration =
+      simulation::time_transport.elapsed() / total_integrations;
+    double misc_time = time_total.elapsed() - time_update_src.elapsed() -
+                       time_transport.elapsed() - time_tallies.elapsed() -
+                       time_bank_sendrecv.elapsed();
+
+    header("Simulation Statistics", 4);
+    fmt::print(
+      " Total Iterations                  = {}\n", settings::n_batches);
+    fmt::print(" Flat Source Regions (FSRs)        = {}\n", n_source_regions);
+    fmt::print(" Total Geometric Intersections     = {:.4e}\n",
+      static_cast<double>(total_geometric_intersections));
+    fmt::print("   Avg per Iteration               = {:.4e}\n",
+      static_cast<double>(total_geometric_intersections) / settings::n_batches);
+    fmt::print("   Avg per Iteration per FSR       = {:.2f}\n",
+      static_cast<double>(total_geometric_intersections) /
+        static_cast<double>(settings::n_batches) / n_source_regions);
+    fmt::print(" Avg FSR Miss Rate per Iteration   = {:.4f}%\n", avg_miss_rate);
+    fmt::print(" Energy Groups                     = {}\n", negroups);
+    fmt::print(
+      " Total Integrations                = {:.4e}\n", total_integrations);
+    fmt::print("   Avg per Iteration               = {:.4e}\n",
+      total_integrations / settings::n_batches);
+
+    header("Timing Statistics", 4);
+    show_time("Total time for initialization", time_initialize.elapsed());
+    show_time("Reading cross sections", time_read_xs.elapsed(), 1);
+    show_time("Total simulation time", time_total.elapsed());
+    show_time("Transport sweep only", time_transport.elapsed(), 1);
+    show_time("Source update only", time_update_src.elapsed(), 1);
+    show_time("Tally conversion only", time_tallies.elapsed(), 1);
+    show_time("MPI source reductions only", time_bank_sendrecv.elapsed(), 1);
+    show_time("Other iteration routines", misc_time, 1);
+    if (settings::run_mode == RunMode::EIGENVALUE) {
+      show_time("Time in inactive batches", time_inactive.elapsed());
+    }
+    show_time("Time in active batches", time_active.elapsed());
+    show_time("Time writing statepoints", time_statepoint.elapsed());
+    show_time("Total time for finalization", time_finalize.elapsed());
+    show_time("Time per integration", time_per_integration);
+  }
+
+  if (settings::verbosity >= 4) {
+    header("Results", 4);
+    fmt::print(" k-effective                       = {:.5f} +/- {:.5f}\n",
+      simulation::keff, simulation::keff_std);
+  }
+}
+
+} // namespace openmc
diff --git a/src/settings.cpp b/src/settings.cpp
index 9f183a6c1..6790f2cc0 100644
--- a/src/settings.cpp
+++ b/src/settings.cpp
@@ -24,6 +24,7 @@
 #include "openmc/output.h"
 #include "openmc/plot.h"
 #include "openmc/random_lcg.h"
+#include "openmc/random_ray/random_ray.h"
 #include "openmc/simulation.h"
 #include "openmc/source.h"
 #include "openmc/string_utils.h"
@@ -113,6 +114,7 @@ double res_scat_energy_min {0.01};
 double res_scat_energy_max {1000.0};
 vector<std::string> res_scat_nuclides;
 RunMode run_mode {RunMode::UNSET};
+SolverType solver_type {SolverType::MONTE_CARLO};
 std::unordered_set<int> sourcepoint_batch;
 std::unordered_set<int> statepoint_batch;
 std::unordered_set<int> source_write_surf_id;
@@ -233,6 +235,38 @@ void get_run_parameters(pugi::xml_node node_base)
       }
     }
   }
+
+  // Random ray variables
+  if (solver_type == SolverType::RANDOM_RAY) {
+    xml_node random_ray_node = node_base.child("random_ray");
+    if (check_for_node(random_ray_node, "distance_active")) {
+      RandomRay::distance_active_ =
+        std::stod(get_node_value(random_ray_node, "distance_active"));
+      if (RandomRay::distance_active_ <= 0.0) {
+        fatal_error("Random ray active distance must be greater than 0");
+      }
+    } else {
+      fatal_error("Specify random ray active distance in settings XML");
+    }
+    if (check_for_node(random_ray_node, "distance_inactive")) {
+      RandomRay::distance_inactive_ =
+        std::stod(get_node_value(random_ray_node, "distance_inactive"));
+      if (RandomRay::distance_inactive_ < 0) {
+        fatal_error(
+          "Random ray inactive distance must be greater than or equal to 0");
+      }
+    } else {
+      fatal_error("Specify random ray inactive distance in settings XML");
+    }
+    if (check_for_node(random_ray_node, "source")) {
+      xml_node source_node = random_ray_node.child("source");
+      // Get point to list of <source> elements and make sure there is at least
+      // one
+      RandomRay::ray_source_ = Source::create(source_node);
+    } else {
+      fatal_error("Specify random ray source in settings XML");
+    }
+  }
 }
 
 void read_settings_xml()
@@ -389,6 +423,14 @@ void read_settings_xml(pugi::xml_node root)
     }
   }
 
+  // Check solver type
+  if (check_for_node(root, "random_ray")) {
+    solver_type = SolverType::RANDOM_RAY;
+    if (run_CE)
+      fatal_error("multi-group energy mode must be specified in settings XML "
+                  "when using the random ray solver.");
+  }
+
   if (run_mode == RunMode::EIGENVALUE || run_mode == RunMode::FIXED_SOURCE) {
     // Read run parameters
     get_run_parameters(node_mode);
diff --git a/src/simulation.cpp b/src/simulation.cpp
index a7aea6942..1cf34a820 100644
--- a/src/simulation.cpp
+++ b/src/simulation.cpp
@@ -122,7 +122,8 @@ int openmc_simulation_init()
     write_message("Resuming simulation...", 6);
   } else {
     // Only initialize primary source bank for eigenvalue simulations
-    if (settings::run_mode == RunMode::EIGENVALUE) {
+    if (settings::run_mode == RunMode::EIGENVALUE &&
+        settings::solver_type == SolverType::MONTE_CARLO) {
       initialize_source();
     }
   }
@@ -132,7 +133,11 @@ int openmc_simulation_init()
     if (settings::run_mode == RunMode::FIXED_SOURCE) {
       header("FIXED SOURCE TRANSPORT SIMULATION", 3);
     } else if (settings::run_mode == RunMode::EIGENVALUE) {
-      header("K EIGENVALUE SIMULATION", 3);
+      if (settings::solver_type == SolverType::MONTE_CARLO) {
+        header("K EIGENVALUE SIMULATION", 3);
+      } else if (settings::solver_type == SolverType::RANDOM_RAY) {
+        header("K EIGENVALUE SIMULATION (RANDOM RAY SOLVER)", 3);
+      }
       if (settings::verbosity >= 7)
         print_columns();
     }
@@ -196,10 +201,12 @@ int openmc_simulation_finalize()
   simulation::time_finalize.stop();
   simulation::time_total.stop();
   if (mpi::master) {
-    if (settings::verbosity >= 6)
-      print_runtime();
-    if (settings::verbosity >= 4)
-      print_results();
+    if (settings::solver_type != SolverType::RANDOM_RAY) {
+      if (settings::verbosity >= 6)
+        print_runtime();
+      if (settings::verbosity >= 4)
+        print_results();
+    }
   }
   if (settings::check_overlaps)
     print_overlap_check();
@@ -309,7 +316,8 @@ vector<int64_t> work_index;
 
 void allocate_banks()
 {
-  if (settings::run_mode == RunMode::EIGENVALUE) {
+  if (settings::run_mode == RunMode::EIGENVALUE &&
+      settings::solver_type == SolverType::MONTE_CARLO) {
     // Allocate source bank
     simulation::source_bank.resize(simulation::work_per_rank);
 
@@ -493,7 +501,8 @@ void finalize_generation()
   }
   global_tally_leakage = 0.0;
 
-  if (settings::run_mode == RunMode::EIGENVALUE) {
+  if (settings::run_mode == RunMode::EIGENVALUE &&
+      settings::solver_type == SolverType::MONTE_CARLO) {
     // If using shared memory, stable sort the fission bank (by parent IDs)
     // so as to allow for reproducibility regardless of which order particles
     // are run in.
@@ -501,6 +510,9 @@ void finalize_generation()
 
     // Distribute fission bank across processors evenly
     synchronize_bank();
+  }
+
+  if (settings::run_mode == RunMode::EIGENVALUE) {
 
     // Calculate shannon entropy
     if (settings::entropy_on)
diff --git a/src/source.cpp b/src/source.cpp
index 778962667..5ddac7f42 100644
--- a/src/source.cpp
+++ b/src/source.cpp
@@ -243,36 +243,40 @@ SourceSite IndependentSource::sample(uint64_t* seed) const
   // Sample angle
   site.u = angle_->sample(seed);
 
-  // Check for monoenergetic source above maximum particle energy
-  auto p = static_cast<int>(particle_);
-  auto energy_ptr = dynamic_cast<Discrete*>(energy_.get());
-  if (energy_ptr) {
-    auto energies = xt::adapt(energy_ptr->x());
-    if (xt::any(energies > data::energy_max[p])) {
-      fatal_error("Source energy above range of energies of at least "
-                  "one cross section table");
+  // Sample energy and time for neutron and photon sources
+  if (settings::solver_type != SolverType::RANDOM_RAY) {
+    // Check for monoenergetic source above maximum particle energy
+    auto p = static_cast<int>(particle_);
+    auto energy_ptr = dynamic_cast<Discrete*>(energy_.get());
+    if (energy_ptr) {
+      auto energies = xt::adapt(energy_ptr->x());
+      if (xt::any(energies > data::energy_max[p])) {
+        fatal_error("Source energy above range of energies of at least "
+                    "one cross section table");
+      }
     }
-  }
 
-  while (true) {
-    // Sample energy spectrum
-    site.E = energy_->sample(seed);
+    while (true) {
+      // Sample energy spectrum
+      site.E = energy_->sample(seed);
 
-    // Resample if energy falls above maximum particle energy
-    if (site.E < data::energy_max[p])
-      break;
+      // Resample if energy falls above maximum particle energy
+      if (site.E < data::energy_max[p])
+        break;
 
-    n_reject++;
-    if (n_reject >= EXTSRC_REJECT_THRESHOLD &&
-        static_cast<double>(n_accept) / n_reject <= EXTSRC_REJECT_FRACTION) {
-      fatal_error("More than 95% of external source sites sampled were "
-                  "rejected. Please check your external source energy spectrum "
-                  "definition.");
+      n_reject++;
+      if (n_reject >= EXTSRC_REJECT_THRESHOLD &&
+          static_cast<double>(n_accept) / n_reject <= EXTSRC_REJECT_FRACTION) {
+        fatal_error(
+          "More than 95% of external source sites sampled were "
+          "rejected. Please check your external source energy spectrum "
+          "definition.");
+      }
     }
-  }
 
-  // Sample particle creation time
-  site.time = time_->sample(seed);
+    // Sample particle creation time
+    site.time = time_->sample(seed);
+  }
 
   // Increment number of accepted samples
   ++n_accept;
diff --git a/src/tallies/tally.cpp b/src/tallies/tally.cpp
index df1ec5ea7..2e77bcad2 100644
--- a/src/tallies/tally.cpp
+++ b/src/tallies/tally.cpp
@@ -757,6 +757,10 @@ void Tally::accumulate()
     double norm =
       total_source / (settings::n_particles * settings::gen_per_batch);
 
+    if (settings::solver_type == SolverType::RANDOM_RAY) {
+      norm = 1.0;
+    }
+
 // Accumulate each result
 #pragma omp parallel for
     for (int i = 0; i < results_.shape()[0]; ++i) {
@@ -953,8 +957,9 @@ void accumulate_tallies()
 {
 #ifdef OPENMC_MPI
   // Combine tally results onto master process
-  if (mpi::n_procs > 1)
+  if (mpi::n_procs > 1 && settings::solver_type == SolverType::MONTE_CARLO) {
     reduce_tally_results();
+  }
 #endif
 
   // Increase number of realizations (only used for global tallies)
diff --git a/src/timer.cpp b/src/timer.cpp
index 86436758a..6d692d4fb 100644
--- a/src/timer.cpp
+++ b/src/timer.cpp
@@ -26,6 +26,7 @@ Timer time_event_advance_particle;
 Timer time_event_surface_crossing;
 Timer time_event_collision;
 Timer time_event_death;
+Timer time_update_src;
 
 } // namespace simulation
 
@@ -85,6 +86,7 @@ void reset_timers()
   simulation::time_event_surface_crossing.reset();
   simulation::time_event_collision.reset();
   simulation::time_event_death.reset();
+  simulation::time_update_src.reset();
 }
 
 } // namespace openmc
diff --git a/tests/regression_tests/random_ray_basic/__init__.py b/tests/regression_tests/random_ray_basic/__init__.py
new file mode 100644
index 000000000..e69de29bb
diff --git a/tests/regression_tests/random_ray_basic/inputs_true.dat b/tests/regression_tests/random_ray_basic/inputs_true.dat
new file mode 100644
index 000000000..97b7906f7
--- /dev/null
+++ b/tests/regression_tests/random_ray_basic/inputs_true.dat
@@ -0,0 +1,108 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <cross_sections>mgxs.h5</cross_sections>
+    <material id="1" name="UO2 fuel">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="UO2"/>
+    </material>
+    <material id="2" name="Water">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="LWTR"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" name="fuel inner a" region="-2" universe="1"/>
+    <cell id="2" material="1" name="fuel inner b" region="2 -3" universe="1"/>
+    <cell id="3" material="1" name="fuel inner c" region="3 -1" universe="1"/>
+    <cell id="4" material="2" name="moderator inner a" region="1 -4" universe="1"/>
+    <cell id="5" material="2" name="moderator outer b" region="4 -5" universe="1"/>
+    <cell id="6" material="2" name="moderator outer c" region="5" universe="1"/>
+    <cell fill="1" id="7" name="azimuthal_cell_0" region="6 -7" universe="2"/>
+    <cell fill="1" id="8" name="azimuthal_cell_1" region="7 -8" universe="2"/>
+    <cell fill="1" id="9" name="azimuthal_cell_2" region="8 -9" universe="2"/>
+    <cell fill="1" id="10" name="azimuthal_cell_3" region="9 -10" universe="2"/>
+    <cell fill="1" id="11" name="azimuthal_cell_4" region="10 -11" universe="2"/>
+    <cell fill="1" id="12" name="azimuthal_cell_5" region="11 -12" universe="2"/>
+    <cell fill="1" id="13" name="azimuthal_cell_6" region="12 -13" universe="2"/>
+    <cell fill="1" id="14" name="azimuthal_cell_7" region="13 -6" universe="2"/>
+    <cell id="15" material="2" name="moderator infinite" universe="3"/>
+    <cell fill="4" id="16" universe="5"/>
+    <cell fill="6" id="17" name="assembly" region="14 -15 16 -17" universe="7"/>
+    <lattice id="4">
+      <pitch>0.126 0.126</pitch>
+      <dimension>10 10</dimension>
+      <lower_left>-0.63 -0.63</lower_left>
+      <universes>
+3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 </universes>
+    </lattice>
+    <lattice id="6">
+      <pitch>1.26 1.26</pitch>
+      <dimension>2 2</dimension>
+      <lower_left>-1.26 -1.26</lower_left>
+      <universes>
+2 2 
+2 5 </universes>
+    </lattice>
+    <surface coeffs="0.0 0.0 0.54" id="1" name="Fuel OR" type="z-cylinder"/>
+    <surface coeffs="0.0 0.0 0.33" id="2" name="inner ring a" type="z-cylinder"/>
+    <surface coeffs="0.0 0.0 0.45" id="3" name="inner ring b" type="z-cylinder"/>
+    <surface coeffs="0.0 0.0 0.6" id="4" name="outer ring a" type="z-cylinder"/>
+    <surface coeffs="0.0 0.0 0.69" id="5" name="outer ring b" type="z-cylinder"/>
+    <surface coeffs="-0.0 1.0 0 0" id="6" type="plane"/>
+    <surface coeffs="-0.7071067811865475 0.7071067811865476 0 0" id="7" type="plane"/>
+    <surface coeffs="-1.0 6.123233995736766e-17 0 0" id="8" type="plane"/>
+    <surface coeffs="-0.7071067811865476 -0.7071067811865475 0 0" id="9" type="plane"/>
+    <surface coeffs="-1.2246467991473532e-16 -1.0 0 0" id="10" type="plane"/>
+    <surface coeffs="0.7071067811865475 -0.7071067811865477 0 0" id="11" type="plane"/>
+    <surface coeffs="1.0 -1.8369701987210297e-16 0 0" id="12" type="plane"/>
+    <surface coeffs="0.7071067811865477 0.7071067811865474 0 0" id="13" type="plane"/>
+    <surface boundary="reflective" coeffs="-1.26" id="14" name="minimum x" type="x-plane"/>
+    <surface boundary="reflective" coeffs="1.26" id="15" name="maximum x" type="x-plane"/>
+    <surface boundary="reflective" coeffs="-1.26" id="16" name="minimum y" type="y-plane"/>
+    <surface boundary="reflective" coeffs="1.26" id="17" name="maximum y" type="y-plane"/>
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>10</batches>
+    <inactive>5</inactive>
+    <energy_mode>multi-group</energy_mode>
+    <random_ray>
+      <distance_active>100.0</distance_active>
+      <distance_inactive>20.0</distance_inactive>
+      <source particle="neutron" strength="1.0" type="independent">
+        <space type="box">
+          <parameters>-1.26 -1.26 -1 1.26 1.26 1</parameters>
+        </space>
+      </source>
+    </random_ray>
+  </settings>
+  <tallies>
+    <mesh id="1">
+      <dimension>2 2</dimension>
+      <lower_left>-1.26 -1.26</lower_left>
+      <upper_right>1.26 1.26</upper_right>
+    </mesh>
+    <filter id="1" type="mesh">
+      <bins>1</bins>
+    </filter>
+    <filter id="2" type="energy">
+      <bins>1e-05 0.0635 10.0 100.0 1000.0 500000.0 1000000.0 20000000.0</bins>
+    </filter>
+    <tally id="1" name="Mesh tally">
+      <filters>1 2</filters>
+      <scores>flux fission nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/random_ray_basic/results_true.dat b/tests/regression_tests/random_ray_basic/results_true.dat
new file mode 100644
index 000000000..802e78a82
--- /dev/null
+++ b/tests/regression_tests/random_ray_basic/results_true.dat
@@ -0,0 +1,171 @@
+k-combined:
+8.400322E-01 8.023349E-03
+tally 1:
+1.260220E+00
+3.179889E-01
+1.484289E-01
+4.411066E-03
+3.612463E-01
+2.612843E-02
+7.086707E-01
+1.006119E-01
+3.342483E-02
+2.238499E-04
+8.134936E-02
+1.325949E-03
+4.194328E-01
+3.558669E-02
+4.287776E-03
+3.717447E-06
+1.043559E-02
+2.201986E-05
+5.878720E-01
+7.045887E-02
+6.147757E-03
+7.701173E-06
+1.496241E-02
+4.561699E-05
+1.768113E+00
+6.356917E-01
+6.513486E-03
+8.628535E-06
+1.585272E-02
+5.111136E-05
+5.063704E+00
+5.152401E+00
+2.440293E-03
+1.196869E-06
+6.038334E-03
+7.328193E-06
+3.253717E+00
+2.117655E+00
+1.389120E-02
+3.859385E-05
+3.863767E-02
+2.985798E-04
+1.876994E+00
+7.046366E-01
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+8.390875E-01
+1.408791E-01
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+4.513839E-01
+4.139640E-02
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+6.682186E-01
+9.116003E-02
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+1.849034E+00
+6.944337E-01
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+4.523425E+00
+4.112118E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+2.821432E+00
+1.592568E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+1.159618E+00
+2.694138E-01
+1.354028E-01
+3.672094E-03
+3.295432E-01
+2.175122E-02
+6.880334E-01
+9.491215E-02
+3.234611E-02
+2.097782E-04
+7.872396E-02
+1.242596E-03
+4.184841E-01
+3.536436E-02
+4.274305E-03
+3.687209E-06
+1.040280E-02
+2.184074E-05
+5.810180E-01
+6.872944E-02
+6.060273E-03
+7.476500E-06
+1.474949E-02
+4.428617E-05
+1.782580E+00
+6.457892E-01
+6.552384E-03
+8.730345E-06
+1.594739E-02
+5.171444E-05
+5.278155E+00
+5.596601E+00
+2.546878E-03
+1.303010E-06
+6.302072E-03
+7.978072E-06
+3.420419E+00
+2.340454E+00
+1.465798E-02
+4.299061E-05
+4.077042E-02
+3.325951E-04
+1.279417E+00
+3.278133E-01
+1.509073E-01
+4.561836E-03
+3.672782E-01
+2.702150E-02
+7.212777E-01
+1.042487E-01
+3.411552E-02
+2.332877E-04
+8.303035E-02
+1.381852E-03
+4.269473E-01
+3.685202E-02
+4.378540E-03
+3.872997E-06
+1.065649E-02
+2.294124E-05
+5.973530E-01
+7.266946E-02
+6.260881E-03
+7.976490E-06
+1.523773E-02
+4.724780E-05
+1.795373E+00
+6.547440E-01
+6.635941E-03
+8.945067E-06
+1.615075E-02
+5.298634E-05
+5.161876E+00
+5.353441E+00
+2.505311E-03
+1.261399E-06
+6.199218E-03
+7.723296E-06
+3.344042E+00
+2.236603E+00
+1.443089E-02
+4.166228E-05
+4.013879E-02
+3.223186E-04
diff --git a/tests/regression_tests/random_ray_basic/test.py b/tests/regression_tests/random_ray_basic/test.py
new file mode 100644
index 000000000..1727a6371
--- /dev/null
+++ b/tests/regression_tests/random_ray_basic/test.py
@@ -0,0 +1,232 @@
+import os
+
+import numpy as np
+import openmc
+
+from tests.testing_harness import TolerantPyAPITestHarness
+
+
+class MGXSTestHarness(TolerantPyAPITestHarness):
+    def _cleanup(self):
+        super()._cleanup()
+        f = 'mgxs.h5'
+        if os.path.exists(f):
+            os.remove(f)
+
+
+def random_ray_model() -> openmc.Model:
+    ###############################################################################
+    # Create multigroup data
+
+    # Instantiate the energy group data
+    group_edges = [1e-5, 0.0635, 10.0, 1.0e2, 1.0e3, 0.5e6, 1.0e6, 20.0e6]
+    groups = openmc.mgxs.EnergyGroups(group_edges)
+
+    # Instantiate the 7-group (C5G7) cross section data
+    uo2_xsdata = openmc.XSdata('UO2', groups)
+    uo2_xsdata.order = 0
+    uo2_xsdata.set_total(
+        [0.1779492, 0.3298048, 0.4803882, 0.5543674, 0.3118013, 0.3951678,
+         0.5644058])
+    uo2_xsdata.set_absorption([8.0248e-03, 3.7174e-03, 2.6769e-02, 9.6236e-02,
+                               3.0020e-02, 1.1126e-01, 2.8278e-01])
+    scatter_matrix = np.array(
+        [[[0.1275370, 0.0423780, 0.0000094, 0.0000000, 0.0000000, 0.0000000, 0.0000000],
+          [0.0000000, 0.3244560, 0.0016314, 0.0000000, 0.0000000, 0.0000000, 0.0000000],
+          [0.0000000, 0.0000000, 0.4509400, 0.0026792, 0.0000000, 0.0000000, 0.0000000],
+          [0.0000000, 0.0000000, 0.0000000, 0.4525650, 0.0055664, 0.0000000, 0.0000000],
+          [0.0000000, 0.0000000, 0.0000000, 0.0001253, 0.2714010, 0.0102550, 0.0000000],
+          [0.0000000, 0.0000000, 0.0000000, 0.0000000, 0.0012968, 0.2658020, 0.0168090],
+          [0.0000000, 0.0000000, 0.0000000, 0.0000000, 0.0000000, 0.0085458, 0.2730800]]])
+    scatter_matrix = np.rollaxis(scatter_matrix, 0, 3)
+    uo2_xsdata.set_scatter_matrix(scatter_matrix)
+    uo2_xsdata.set_fission([7.21206e-03, 8.19301e-04, 6.45320e-03,
+                            1.85648e-02, 1.78084e-02, 8.30348e-02,
+                            2.16004e-01])
+    uo2_xsdata.set_nu_fission([2.005998e-02, 2.027303e-03, 1.570599e-02,
+                               4.518301e-02, 4.334208e-02, 2.020901e-01,
+                               5.257105e-01])
+    uo2_xsdata.set_chi([5.8791e-01, 4.1176e-01, 3.3906e-04, 1.1761e-07, 0.0000e+00,
+                        0.0000e+00, 0.0000e+00])
+
+    h2o_xsdata = openmc.XSdata('LWTR', groups)
+    h2o_xsdata.order = 0
+    h2o_xsdata.set_total([0.15920605, 0.412969593, 0.59030986, 0.58435,
+                          0.718, 1.2544497, 2.650379])
+    h2o_xsdata.set_absorption([6.0105e-04, 1.5793e-05, 3.3716e-04,
+                               1.9406e-03, 5.7416e-03, 1.5001e-02,
+                               3.7239e-02])
+    scatter_matrix = np.array(
+        [[[0.0444777, 0.1134000, 0.0007235, 0.0000037, 0.0000001, 0.0000000, 0.0000000],
+          [0.0000000, 0.2823340, 0.1299400, 0.0006234, 0.0000480, 0.0000074, 0.0000010],
+          [0.0000000, 0.0000000, 0.3452560, 0.2245700, 0.0169990, 0.0026443, 0.0005034],
+          [0.0000000, 0.0000000, 0.0000000, 0.0910284, 0.4155100, 0.0637320, 0.0121390],
+          [0.0000000, 0.0000000, 0.0000000, 0.0000714, 0.1391380, 0.5118200, 0.0612290],
+          [0.0000000, 0.0000000, 0.0000000, 0.0000000, 0.0022157, 0.6999130, 0.5373200],
+          [0.0000000, 0.0000000, 0.0000000, 0.0000000, 0.0000000, 0.1324400, 2.4807000]]])
+    scatter_matrix = np.rollaxis(scatter_matrix, 0, 3)
+    h2o_xsdata.set_scatter_matrix(scatter_matrix)
+
+    mg_cross_sections = openmc.MGXSLibrary(groups)
+    mg_cross_sections.add_xsdatas([uo2_xsdata, h2o_xsdata])
+    mg_cross_sections.export_to_hdf5()
+
+    ###############################################################################
+    # Create materials for the problem
+
+    # Instantiate some Materials and register the appropriate macroscopic data
+    uo2 = openmc.Material(name='UO2 fuel')
+    uo2.set_density('macro', 1.0)
+    uo2.add_macroscopic('UO2')
+
+    water = openmc.Material(name='Water')
+    water.set_density('macro', 1.0)
+    water.add_macroscopic('LWTR')
+
+    # Instantiate a Materials collection and export to XML
+    materials = openmc.Materials([uo2, water])
+    materials.cross_sections = "mgxs.h5"
+
+    ###############################################################################
+    # Define problem geometry
+
+    ########################################
+    # Define an unbounded pincell universe
+
+    pitch = 1.26
+
+    # Create a surface for the fuel outer radius
+    fuel_or = openmc.ZCylinder(r=0.54, name='Fuel OR')
+    inner_ring_a = openmc.ZCylinder(r=0.33, name='inner ring a')
+    inner_ring_b = openmc.ZCylinder(r=0.45, name='inner ring b')
+    outer_ring_a = openmc.ZCylinder(r=0.60, name='outer ring a')
+    outer_ring_b = openmc.ZCylinder(r=0.69, name='outer ring b')
+
+    # Instantiate Cells
+    fuel_a = openmc.Cell(fill=uo2, region=-inner_ring_a, name='fuel inner a')
+    fuel_b = openmc.Cell(fill=uo2, region=+inner_ring_a & -inner_ring_b, name='fuel inner b')
+    fuel_c = openmc.Cell(fill=uo2, region=+inner_ring_b & -fuel_or, name='fuel inner c')
+    moderator_a = openmc.Cell(fill=water, region=+fuel_or & -outer_ring_a, name='moderator inner a')
+    moderator_b = openmc.Cell(fill=water, region=+outer_ring_a & -outer_ring_b, name='moderator outer b')
+    moderator_c = openmc.Cell(fill=water, region=+outer_ring_b, name='moderator outer c')
+
+    # Create pincell universe
+    pincell_base = openmc.Universe()
+
+    # Register Cells with Universe
+    pincell_base.add_cells([fuel_a, fuel_b, fuel_c, moderator_a, moderator_b, moderator_c])
+
+    # Create planes for azimuthal sectors
+    azimuthal_planes = []
+    for i in range(8):
+        angle = 2 * i * openmc.pi / 8
+        normal_vector = (-openmc.sin(angle), openmc.cos(angle), 0)
+        azimuthal_planes.append(openmc.Plane(a=normal_vector[0], b=normal_vector[1], c=normal_vector[2], d=0))
+
+    # Create a cell for each azimuthal sector
+    azimuthal_cells = []
+    for i in range(8):
+        azimuthal_cell = openmc.Cell(name=f'azimuthal_cell_{i}')
+        azimuthal_cell.fill = pincell_base
+        azimuthal_cell.region = +azimuthal_planes[i] & -azimuthal_planes[(i+1) % 8]
+        azimuthal_cells.append(azimuthal_cell)
+
+    # Create a geometry with the azimuthal universes
+    pincell = openmc.Universe(cells=azimuthal_cells)
+
+    ########################################
+    # Define a moderator lattice universe
+
+    moderator_infinite = openmc.Cell(fill=water, name='moderator infinite')
+    mu = openmc.Universe()
+    mu.add_cells([moderator_infinite])
+
+    lattice = openmc.RectLattice()
+    lattice.lower_left = [-pitch/2.0, -pitch/2.0]
+    lattice.pitch = [pitch/10.0, pitch/10.0]
+    lattice.universes = np.full((10, 10), mu)
+
+    mod_lattice_cell = openmc.Cell(fill=lattice)
+
+    mod_lattice_uni = openmc.Universe()
+
+    mod_lattice_uni.add_cells([mod_lattice_cell])
+
+    ########################################
+    # Define 2x2 outer lattice
+    lattice2x2 = openmc.RectLattice()
+    lattice2x2.lower_left = (-pitch, -pitch)
+    lattice2x2.pitch = (pitch, pitch)
+    lattice2x2.universes = [
+        [pincell, pincell],
+        [pincell, mod_lattice_uni]
+    ]
+
+    ########################################
+    # Define cell containing lattice and other stuff
+    box = openmc.model.RectangularPrism(pitch*2, pitch*2, boundary_type='reflective')
+
+    assembly = openmc.Cell(fill=lattice2x2, region=-box, name='assembly')
+
+    # Create a geometry with the top-level cell
+    geometry = openmc.Geometry([assembly])
+
+    ###############################################################################
+    # Define problem settings
+
+    # Instantiate a Settings object, set all runtime parameters, and export to XML
+    settings = openmc.Settings()
+    settings.energy_mode = "multi-group"
+    settings.batches = 10
+    settings.inactive = 5
+    settings.particles = 100
+
+    # Create an initial uniform spatial source distribution over fissionable zones
+    lower_left = (-pitch, -pitch, -1)
+    upper_right = (pitch, pitch, 1)
+    uniform_dist = openmc.stats.Box(lower_left, upper_right)
+    rr_source = openmc.IndependentSource(space=uniform_dist)
+
+    settings.random_ray['distance_active'] = 100.0
+    settings.random_ray['distance_inactive'] = 20.0
+    settings.random_ray['ray_source'] = rr_source
+
+    ###############################################################################
+    # Define tallies
+
+    # Create a mesh that will be used for tallying
+    mesh = openmc.RegularMesh()
+    mesh.dimension = (2, 2)
+    mesh.lower_left = (-pitch, -pitch)
+    mesh.upper_right = (pitch, pitch)
+
+    # Create a mesh filter that can be used in a tally
+    mesh_filter = openmc.MeshFilter(mesh)
+
+    # Create an energy group filter as well
+    energy_filter = openmc.EnergyFilter(group_edges)
+
+    # Now use the mesh filter in a tally and indicate what scores are desired
+    tally = openmc.Tally(name="Mesh tally")
+    tally.filters = [mesh_filter, energy_filter]
+    tally.scores = ['flux', 'fission', 'nu-fission']
+    tally.estimator = 'analog'
+
+    # Instantiate a Tallies collection and export to XML
+    tallies = openmc.Tallies([tally])
+
+    ###############################################################################
+    #                   Exporting to OpenMC model
+    ###############################################################################
+
+    model = openmc.Model()
+    model.geometry = geometry
+    model.materials = materials
+    model.settings = settings
+    model.tallies = tallies
+    return model
+
+
+def test_random_ray_basic():
+    harness = MGXSTestHarness('statepoint.10.h5', random_ray_model())
+    harness.main()
diff --git a/tests/regression_tests/random_ray_vacuum/__init__.py b/tests/regression_tests/random_ray_vacuum/__init__.py
new file mode 100644
index 000000000..e69de29bb
diff --git a/tests/regression_tests/random_ray_vacuum/inputs_true.dat b/tests/regression_tests/random_ray_vacuum/inputs_true.dat
new file mode 100644
index 000000000..4ef109420
--- /dev/null
+++ b/tests/regression_tests/random_ray_vacuum/inputs_true.dat
@@ -0,0 +1,108 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <cross_sections>mgxs.h5</cross_sections>
+    <material id="1" name="UO2 fuel">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="UO2"/>
+    </material>
+    <material id="2" name="Water">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="LWTR"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" name="fuel inner a" region="-2" universe="1"/>
+    <cell id="2" material="1" name="fuel inner b" region="2 -3" universe="1"/>
+    <cell id="3" material="1" name="fuel inner c" region="3 -1" universe="1"/>
+    <cell id="4" material="2" name="moderator inner a" region="1 -4" universe="1"/>
+    <cell id="5" material="2" name="moderator outer b" region="4 -5" universe="1"/>
+    <cell id="6" material="2" name="moderator outer c" region="5" universe="1"/>
+    <cell fill="1" id="7" name="azimuthal_cell_0" region="6 -7" universe="2"/>
+    <cell fill="1" id="8" name="azimuthal_cell_1" region="7 -8" universe="2"/>
+    <cell fill="1" id="9" name="azimuthal_cell_2" region="8 -9" universe="2"/>
+    <cell fill="1" id="10" name="azimuthal_cell_3" region="9 -10" universe="2"/>
+    <cell fill="1" id="11" name="azimuthal_cell_4" region="10 -11" universe="2"/>
+    <cell fill="1" id="12" name="azimuthal_cell_5" region="11 -12" universe="2"/>
+    <cell fill="1" id="13" name="azimuthal_cell_6" region="12 -13" universe="2"/>
+    <cell fill="1" id="14" name="azimuthal_cell_7" region="13 -6" universe="2"/>
+    <cell id="15" material="2" name="moderator infinite" universe="3"/>
+    <cell fill="4" id="16" universe="5"/>
+    <cell fill="6" id="17" name="assembly" region="14 -15 16 -17" universe="7"/>
+    <lattice id="4">
+      <pitch>0.126 0.126</pitch>
+      <dimension>10 10</dimension>
+      <lower_left>-0.63 -0.63</lower_left>
+      <universes>
+3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 </universes>
+    </lattice>
+    <lattice id="6">
+      <pitch>1.26 1.26</pitch>
+      <dimension>2 2</dimension>
+      <lower_left>-1.26 -1.26</lower_left>
+      <universes>
+2 2 
+2 5 </universes>
+    </lattice>
+    <surface coeffs="0.0 0.0 0.54" id="1" name="Fuel OR" type="z-cylinder"/>
+    <surface coeffs="0.0 0.0 0.33" id="2" name="inner ring a" type="z-cylinder"/>
+    <surface coeffs="0.0 0.0 0.45" id="3" name="inner ring b" type="z-cylinder"/>
+    <surface coeffs="0.0 0.0 0.6" id="4" name="outer ring a" type="z-cylinder"/>
+    <surface coeffs="0.0 0.0 0.69" id="5" name="outer ring b" type="z-cylinder"/>
+    <surface coeffs="-0.0 1.0 0 0" id="6" type="plane"/>
+    <surface coeffs="-0.7071067811865475 0.7071067811865476 0 0" id="7" type="plane"/>
+    <surface coeffs="-1.0 6.123233995736766e-17 0 0" id="8" type="plane"/>
+    <surface coeffs="-0.7071067811865476 -0.7071067811865475 0 0" id="9" type="plane"/>
+    <surface coeffs="-1.2246467991473532e-16 -1.0 0 0" id="10" type="plane"/>
+    <surface coeffs="0.7071067811865475 -0.7071067811865477 0 0" id="11" type="plane"/>
+    <surface coeffs="1.0 -1.8369701987210297e-16 0 0" id="12" type="plane"/>
+    <surface coeffs="0.7071067811865477 0.7071067811865474 0 0" id="13" type="plane"/>
+    <surface boundary="vacuum" coeffs="-1.26" id="14" name="minimum x" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="1.26" id="15" name="maximum x" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="-1.26" id="16" name="minimum y" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="1.26" id="17" name="maximum y" type="y-plane"/>
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>10</batches>
+    <inactive>5</inactive>
+    <energy_mode>multi-group</energy_mode>
+    <random_ray>
+      <distance_active>100.0</distance_active>
+      <distance_inactive>20.0</distance_inactive>
+      <source particle="neutron" strength="1.0" type="independent">
+        <space type="box">
+          <parameters>-1.26 -1.26 -1 1.26 1.26 1</parameters>
+        </space>
+      </source>
+    </random_ray>
+  </settings>
+  <tallies>
+    <mesh id="1">
+      <dimension>2 2</dimension>
+      <lower_left>-1.26 -1.26</lower_left>
+      <upper_right>1.26 1.26</upper_right>
+    </mesh>
+    <filter id="1" type="mesh">
+      <bins>1</bins>
+    </filter>
+    <filter id="2" type="energy">
+      <bins>1e-05 0.0635 10.0 100.0 1000.0 500000.0 1000000.0 20000000.0</bins>
+    </filter>
+    <tally id="1" name="Mesh tally">
+      <filters>1 2</filters>
+      <scores>flux fission nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/random_ray_vacuum/results_true.dat b/tests/regression_tests/random_ray_vacuum/results_true.dat
new file mode 100644
index 000000000..744ce6cef
--- /dev/null
+++ b/tests/regression_tests/random_ray_vacuum/results_true.dat
@@ -0,0 +1,171 @@
+k-combined:
+1.010455E-01 1.585558E-02
+tally 1:
+1.849176E-01
+7.634332E-03
+2.181815E-02
+1.062861E-04
+5.310100E-02
+6.295730E-04
+4.048251E-02
+3.851890E-04
+1.893676E-03
+8.448769E-07
+4.608828E-03
+5.004529E-06
+4.063643E-03
+4.022442E-06
+4.112970E-05
+4.186661E-10
+1.001015E-04
+2.479919E-09
+7.467029E-03
+1.178864E-05
+7.688748E-05
+1.266903E-09
+1.871288E-04
+7.504350E-09
+3.870644E-02
+3.010745E-04
+1.375240E-04
+3.807356E-09
+3.347099E-04
+2.255298E-08
+4.524967E-01
+4.098857E-02
+2.437418E-04
+1.190325E-08
+6.031220E-04
+7.288126E-08
+4.989226E-01
+4.993728E-02
+2.374296E-03
+1.135824E-06
+6.603983E-03
+8.787258E-06
+3.899991E-01
+3.308783E-02
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+7.108982E-02
+1.144390E-03
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+5.295259E-03
+6.352159E-06
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+9.852001E-03
+1.984406E-05
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+4.414391E-02
+3.905201E-04
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+2.571668E-01
+1.323140E-02
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+2.752932E-01
+1.517930E-02
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+1.465446E-01
+4.901884E-03
+1.700791E-02
+6.587674E-05
+4.139385E-02
+3.902131E-04
+3.424032E-02
+2.841338E-04
+1.598985E-03
+6.216312E-07
+3.891610E-03
+3.682159E-06
+4.067582E-03
+4.209468E-06
+4.152829E-05
+4.494649E-10
+1.010715E-04
+2.662352E-09
+7.526712E-03
+1.225032E-05
+7.769969E-05
+1.328443E-09
+1.891055E-04
+7.868877E-09
+4.008649E-02
+3.246821E-04
+1.417944E-04
+4.070719E-09
+3.451035E-04
+2.411301E-08
+4.859902E-01
+4.747592E-02
+2.606214E-04
+1.369749E-08
+6.448895E-04
+8.386705E-08
+5.475198E-01
+6.061269E-02
+2.625477E-03
+1.405458E-06
+7.302631E-03
+1.087327E-05
+1.909660E-01
+8.147906E-03
+2.269063E-02
+1.149570E-04
+5.522446E-02
+6.809342E-04
+4.196583E-02
+4.141620E-04
+1.980406E-03
+9.227119E-07
+4.819913E-03
+5.465576E-06
+4.247004E-03
+4.420116E-06
+4.341806E-05
+4.691518E-10
+1.056709E-04
+2.778965E-09
+7.742814E-03
+1.272112E-05
+8.039606E-05
+1.389209E-09
+1.956679E-04
+8.228817E-09
+3.982370E-02
+3.190931E-04
+1.427171E-04
+4.103942E-09
+3.473492E-04
+2.430981E-08
+4.849535E-01
+4.707014E-02
+2.678327E-04
+1.438540E-08
+6.627333E-04
+8.807897E-08
+5.493457E-01
+6.069440E-02
+2.717400E-03
+1.501450E-06
+7.558312E-03
+1.161591E-05
diff --git a/tests/regression_tests/random_ray_vacuum/test.py b/tests/regression_tests/random_ray_vacuum/test.py
new file mode 100644
index 000000000..e9ca22521
--- /dev/null
+++ b/tests/regression_tests/random_ray_vacuum/test.py
@@ -0,0 +1,235 @@
+import os
+
+import numpy as np
+import openmc
+
+from tests.testing_harness import TolerantPyAPITestHarness
+
+
+class MGXSTestHarness(TolerantPyAPITestHarness):
+    def _cleanup(self):
+        super()._cleanup()
+        f = 'mgxs.h5'
+        if os.path.exists(f):
+            os.remove(f)
+
+
+def random_ray_model() -> openmc.Model:
+    ###############################################################################
+    # Create multigroup data
+
+    # Instantiate the energy group data
+    group_edges = [1e-5, 0.0635, 10.0, 1.0e2, 1.0e3, 0.5e6, 1.0e6, 20.0e6]
+    groups = openmc.mgxs.EnergyGroups(group_edges)
+
+    # Instantiate the 7-group (C5G7) cross section data
+    uo2_xsdata = openmc.XSdata('UO2', groups)
+    uo2_xsdata.order = 0
+    uo2_xsdata.set_total(
+        [0.1779492, 0.3298048, 0.4803882, 0.5543674, 0.3118013, 0.3951678,
+         0.5644058])
+    uo2_xsdata.set_absorption([8.0248e-03, 3.7174e-03, 2.6769e-02, 9.6236e-02,
+                               3.0020e-02, 1.1126e-01, 2.8278e-01])
+    scatter_matrix = np.array(
+        [[[0.1275370, 0.0423780, 0.0000094, 0.0000000, 0.0000000, 0.0000000, 0.0000000],
+          [0.0000000, 0.3244560, 0.0016314, 0.0000000, 0.0000000, 0.0000000, 0.0000000],
+          [0.0000000, 0.0000000, 0.4509400, 0.0026792, 0.0000000, 0.0000000, 0.0000000],
+          [0.0000000, 0.0000000, 0.0000000, 0.4525650, 0.0055664, 0.0000000, 0.0000000],
+          [0.0000000, 0.0000000, 0.0000000, 0.0001253, 0.2714010, 0.0102550, 0.0000000],
+          [0.0000000, 0.0000000, 0.0000000, 0.0000000, 0.0012968, 0.2658020, 0.0168090],
+          [0.0000000, 0.0000000, 0.0000000, 0.0000000, 0.0000000, 0.0085458, 0.2730800]]])
+    scatter_matrix = np.rollaxis(scatter_matrix, 0, 3)
+    uo2_xsdata.set_scatter_matrix(scatter_matrix)
+    uo2_xsdata.set_fission([7.21206e-03, 8.19301e-04, 6.45320e-03,
+                            1.85648e-02, 1.78084e-02, 8.30348e-02,
+                            2.16004e-01])
+    uo2_xsdata.set_nu_fission([2.005998e-02, 2.027303e-03, 1.570599e-02,
+                               4.518301e-02, 4.334208e-02, 2.020901e-01,
+                               5.257105e-01])
+    uo2_xsdata.set_chi([5.8791e-01, 4.1176e-01, 3.3906e-04, 1.1761e-07, 0.0000e+00,
+                        0.0000e+00, 0.0000e+00])
+
+    h2o_xsdata = openmc.XSdata('LWTR', groups)
+    h2o_xsdata.order = 0
+    h2o_xsdata.set_total([0.15920605, 0.412969593, 0.59030986, 0.58435,
+                          0.718, 1.2544497, 2.650379])
+    h2o_xsdata.set_absorption([6.0105e-04, 1.5793e-05, 3.3716e-04,
+                               1.9406e-03, 5.7416e-03, 1.5001e-02,
+                               3.7239e-02])
+    scatter_matrix = np.array(
+        [[[0.0444777, 0.1134000, 0.0007235, 0.0000037, 0.0000001, 0.0000000, 0.0000000],
+          [0.0000000, 0.2823340, 0.1299400, 0.0006234, 0.0000480, 0.0000074, 0.0000010],
+          [0.0000000, 0.0000000, 0.3452560, 0.2245700, 0.0169990, 0.0026443, 0.0005034],
+          [0.0000000, 0.0000000, 0.0000000, 0.0910284, 0.4155100, 0.0637320, 0.0121390],
+          [0.0000000, 0.0000000, 0.0000000, 0.0000714, 0.1391380, 0.5118200, 0.0612290],
+          [0.0000000, 0.0000000, 0.0000000, 0.0000000, 0.0022157, 0.6999130, 0.5373200],
+          [0.0000000, 0.0000000, 0.0000000, 0.0000000, 0.0000000, 0.1324400, 2.4807000]]])
+    scatter_matrix = np.rollaxis(scatter_matrix, 0, 3)
+    h2o_xsdata.set_scatter_matrix(scatter_matrix)
+
+    mg_cross_sections = openmc.MGXSLibrary(groups)
+    mg_cross_sections.add_xsdatas([uo2_xsdata, h2o_xsdata])
+    mg_cross_sections.export_to_hdf5()
+
+    ###############################################################################
+    # Create materials for the problem
+
+    # Instantiate some Materials and register the appropriate Macroscopic objects
+    uo2 = openmc.Material(name='UO2 fuel')
+    uo2.set_density('macro', 1.0)
+    uo2.add_macroscopic('UO2')
+
+    water = openmc.Material(name='Water')
+    water.set_density('macro', 1.0)
+    water.add_macroscopic('LWTR')
+
+    # Instantiate a Materials collection and export to XML
+    materials = openmc.Materials([uo2, water])
+    materials.cross_sections = "mgxs.h5"
+
+    ###############################################################################
+    # Define problem geometry
+
+    ########################################
+    # Define an unbounded pincell universe
+
+    pitch = 1.26
+
+    # Create a surface for the fuel outer radius
+    fuel_or = openmc.ZCylinder(r=0.54, name='Fuel OR')
+    inner_ring_a = openmc.ZCylinder(r=0.33, name='inner ring a')
+    inner_ring_b = openmc.ZCylinder(r=0.45, name='inner ring b')
+    outer_ring_a = openmc.ZCylinder(r=0.60, name='outer ring a')
+    outer_ring_b = openmc.ZCylinder(r=0.69, name='outer ring b')
+
+    # Instantiate Cells
+    fuel_a = openmc.Cell(fill=uo2, region=-inner_ring_a, name='fuel inner a')
+    fuel_b = openmc.Cell(fill=uo2, region=+inner_ring_a & -inner_ring_b, name='fuel inner b')
+    fuel_c = openmc.Cell(fill=uo2, region=+inner_ring_b & -fuel_or, name='fuel inner c')
+    moderator_a = openmc.Cell(fill=water, region=+fuel_or & -outer_ring_a, name='moderator inner a')
+    moderator_b = openmc.Cell(fill=water, region=+outer_ring_a & -outer_ring_b, name='moderator outer b')
+    moderator_c = openmc.Cell(fill=water, region=+outer_ring_b, name='moderator outer c')
+
+    # Create pincell universe
+    pincell_base = openmc.Universe()
+
+    # Register Cells with Universe
+    pincell_base.add_cells([fuel_a, fuel_b, fuel_c, moderator_a, moderator_b, moderator_c])
+
+    # Create planes for azimuthal sectors
+    azimuthal_planes = []
+    for i in range(8):
+        angle = 2 * i * openmc.pi / 8
+        normal_vector = (-openmc.sin(angle), openmc.cos(angle), 0)
+        azimuthal_planes.append(openmc.Plane(a=normal_vector[0], b=normal_vector[1], c=normal_vector[2], d=0))
+
+    # Create a cell for each azimuthal sector
+    azimuthal_cells = []
+    for i in range(8):
+        azimuthal_cell = openmc.Cell(name=f'azimuthal_cell_{i}')
+        azimuthal_cell.fill = pincell_base
+        azimuthal_cell.region = +azimuthal_planes[i] & -azimuthal_planes[(i+1) % 8]
+        azimuthal_cells.append(azimuthal_cell)
+
+    # Create a geometry with the azimuthal universes
+    pincell = openmc.Universe(cells=azimuthal_cells)
+
+    ########################################
+    # Define a moderator lattice universe
+
+    moderator_infinite = openmc.Cell(fill=water, name='moderator infinite')
+    mu = openmc.Universe()
+    mu.add_cells([moderator_infinite])
+
+    lattice = openmc.RectLattice()
+    lattice.lower_left = [-pitch/2.0, -pitch/2.0]
+    lattice.pitch = [pitch/10.0, pitch/10.0]
+    lattice.universes = np.full((10, 10), mu)
+
+    mod_lattice_cell = openmc.Cell(fill=lattice)
+
+    mod_lattice_uni = openmc.Universe()
+
+    mod_lattice_uni.add_cells([mod_lattice_cell])
+
+    ########################################
+    # Define 2x2 outer lattice
+    lattice2x2 = openmc.RectLattice()
+    lattice2x2.lower_left = [-pitch, -pitch]
+    lattice2x2.pitch = [pitch, pitch]
+    lattice2x2.universes = [
+        [pincell, pincell],
+        [pincell, mod_lattice_uni]
+    ]
+
+    ########################################
+    # Define cell containing lattice and other stuff
+    box = openmc.model.RectangularPrism(pitch*2, pitch*2, boundary_type='vacuum')
+
+    assembly = openmc.Cell(fill=lattice2x2, region=-box, name='assembly')
+
+    root = openmc.Universe(name='root universe')
+    root.add_cell(assembly)
+
+    # Create a geometry with the two cells and export to XML
+    geometry = openmc.Geometry(root)
+
+    ###############################################################################
+    # Define problem settings
+
+    # Instantiate a Settings object, set all runtime parameters, and export to XML
+    settings = openmc.Settings()
+    settings.energy_mode = "multi-group"
+    settings.batches = 10
+    settings.inactive = 5
+    settings.particles = 100
+
+    # Create an initial uniform spatial source distribution over fissionable zones
+    lower_left = (-pitch, -pitch, -1)
+    upper_right = (pitch, pitch, 1)
+    uniform_dist = openmc.stats.Box(lower_left, upper_right)
+    rr_source = openmc.IndependentSource(space=uniform_dist)
+
+    settings.random_ray['distance_active'] = 100.0
+    settings.random_ray['distance_inactive'] = 20.0
+    settings.random_ray['ray_source'] = rr_source
+
+    ###############################################################################
+    # Define tallies
+
+    # Create a mesh that will be used for tallying
+    mesh = openmc.RegularMesh()
+    mesh.dimension = (2, 2)
+    mesh.lower_left = (-pitch, -pitch)
+    mesh.upper_right = (pitch, pitch)
+
+    # Create a mesh filter that can be used in a tally
+    mesh_filter = openmc.MeshFilter(mesh)
+
+    # Create an energy group filter as well
+    energy_filter = openmc.EnergyFilter(group_edges)
+
+    # Now use the mesh filter in a tally and indicate what scores are desired
+    tally = openmc.Tally(name="Mesh tally")
+    tally.filters = [mesh_filter, energy_filter]
+    tally.scores = ['flux', 'fission', 'nu-fission']
+    tally.estimator = 'analog'
+
+    # Instantiate a Tallies collection and export to XML
+    tallies = openmc.Tallies([tally])
+
+    ###############################################################################
+    #                   Exporting to OpenMC model
+    ###############################################################################
+
+    model = openmc.Model()
+    model.geometry = geometry
+    model.materials = materials
+    model.settings = settings
+    model.tallies = tallies
+    return model
+
+
+def test_random_ray_vacuum():
+    harness = MGXSTestHarness('statepoint.10.h5', random_ray_model())
+    harness.main()
diff --git a/tests/testing_harness.py b/tests/testing_harness.py
index 40c9d37d8..81527452b 100644
--- a/tests/testing_harness.py
+++ b/tests/testing_harness.py
@@ -384,6 +384,63 @@ class HashedPyAPITestHarness(PyAPITestHarness):
         return super()._get_results(True)
 
 
+class TolerantPyAPITestHarness(PyAPITestHarness):
+    """Specialized harness for running tests that involve significant levels
+    of floating point non-associativity when using shared memory parallelism
+    due to single precision usage (e.g., as in the random ray solver).
+
+    """
+    def _are_files_equal(self, actual_path, expected_path, tolerance):
+        def isfloat(value):
+            try:
+                float(value)
+                return True
+            except ValueError:
+                return False
+
+        def tokenize(line):
+            return line.strip().split()
+
+        def compare_tokens(token1, token2):
+            if isfloat(token1) and isfloat(token2):
+                float1, float2 = float(token1), float(token2)
+                return abs(float1 - float2) <= tolerance * max(abs(float1), abs(float2))
+            else:
+                return token1 == token2
+
+        expected = open(expected_path).readlines()
+        actual = open(actual_path).readlines()
+
+        if len(expected) != len(actual):
+            return False
+
+        for line1, line2 in zip(expected, actual):
+            tokens1 = tokenize(line1)
+            tokens2 = tokenize(line2)
+
+            if len(tokens1) != len(tokens2):
+                return False
+
+            for token1, token2 in zip(tokens1, tokens2):
+                if not compare_tokens(token1, token2):
+                    return False
+
+        return True
+
+    def _compare_results(self):
+        """Make sure the current results agree with the reference."""
+        compare = self._are_files_equal('results_test.dat', 'results_true.dat', 1e-6)
+        if not compare:
+            expected = open('results_true.dat').readlines()
+            actual = open('results_test.dat').readlines()
+            diff = unified_diff(expected, actual, 'results_true.dat',
+                                'results_test.dat')
+            print('Result differences:')
+            print(''.join(colorize(diff)))
+            os.rename('results_test.dat', 'results_error.dat')
+        assert compare, 'Results do not agree'
+
+
 class PlotTestHarness(TestHarness):
     """Specialized TestHarness for running OpenMC plotting tests."""
     def __init__(self, plot_names, voxel_convert_checks=[]):
diff --git a/tests/unit_tests/test_settings.py b/tests/unit_tests/test_settings.py
index 30930ecdf..650bfd186 100644
--- a/tests/unit_tests/test_settings.py
+++ b/tests/unit_tests/test_settings.py
@@ -58,6 +58,13 @@ def test_export_to_xml(run_in_tmpdir):
     s.electron_treatment = 'led'
     s.write_initial_source = True
     s.weight_window_checkpoints = {'surface': True, 'collision': False}
+    s.random_ray = {
+        'distance_inactive': 10.0,
+        'distance_active': 100.0,
+        'ray_source': openmc.IndependentSource(
+            space=openmc.stats.Box((-1., -1., -1.), (1., 1., 1.))
+        )
+    }
 
     s.max_particle_events = 100
 
@@ -131,3 +138,7 @@ def test_export_to_xml(run_in_tmpdir):
     assert vol.upper_right == (10., 10., 10.)
     assert s.weight_window_checkpoints == {'surface': True, 'collision': False}
     assert s.max_particle_events == 100
+    assert s.random_ray['distance_inactive'] == 10.0
+    assert s.random_ray['distance_active'] == 100.0
+    assert s.random_ray['ray_source'].space.lower_left == [-1., -1., -1.]
+    assert s.random_ray['ray_source'].space.upper_right == [1., 1., 1.]

From b53b601edc325a0458bb7348a078d4014146de32 Mon Sep 17 00:00:00 2001
From: Gavin Ridley <gavin.keith.ridley@gmail.com>
Date: Sat, 20 Apr 2024 00:44:40 -0500
Subject: [PATCH 2068/2654] Tiny updates from experience building on Mac
 (#2894)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 CMakeLists.txt                                | 21 ++++---
 cmake/OpenMCConfig.cmake.in                   |  4 ++
 docs/source/quickinstall.rst                  | 63 +++++++++++++------
 docs/source/usersguide/install.rst            |  8 +--
 examples/custom_source/CMakeLists.txt         |  2 +-
 .../CMakeLists.txt                            |  2 +-
 openmc/data/multipole.py                      |  9 +--
 openmc/mgxs/mdgxs.py                          |  2 +-
 src/nuclide.cpp                               | 27 +++++---
 src/tallies/filter_energy.cpp                 |  2 +-
 tests/regression_tests/cpp_driver/test.py     |  2 +-
 tests/regression_tests/dagmc/external/test.py |  2 +-
 tests/regression_tests/external_moab/test.py  |  2 +-
 tests/regression_tests/source_dlopen/test.py  |  2 +-
 .../source_parameterized_dlopen/test.py       |  2 +-
 15 files changed, 95 insertions(+), 55 deletions(-)

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 3f87cbd7e..49e987f22 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -1,5 +1,5 @@
 cmake_minimum_required(VERSION 3.10 FATAL_ERROR)
-project(openmc C CXX)
+project(openmc CXX)
 
 # Set version numbers
 set(OPENMC_VERSION_MAJOR 0)
@@ -80,6 +80,14 @@ if(NOT CMAKE_BUILD_TYPE)
     set(CMAKE_BUILD_TYPE RelWithDebInfo CACHE STRING "Choose the type of build" FORCE)
 endif()
 
+#===============================================================================
+# OpenMP for shared-memory parallelism (and GPU support some day!)
+#===============================================================================
+
+if(OPENMC_USE_OPENMP)
+  find_package(OpenMP REQUIRED)
+endif()
+
 #===============================================================================
 # MPI for distributed-memory parallelism
 #===============================================================================
@@ -192,13 +200,6 @@ endif()
 # Skip for Visual Studio which has its own configurations through GUI
 if(NOT MSVC)
 
-if(OPENMC_USE_OPENMP)
-  find_package(OpenMP REQUIRED)
-  # In CMake 3.9+, can use the OpenMP::OpenMP_CXX imported target
-  list(APPEND cxxflags ${OpenMP_CXX_FLAGS})
-  list(APPEND ldflags ${OpenMP_CXX_FLAGS})
-endif()
-
 set(CMAKE_POSITION_INDEPENDENT_CODE ON)
 
 if(OPENMC_ENABLE_PROFILE)
@@ -522,6 +523,10 @@ if (PNG_FOUND)
   target_link_libraries(libopenmc PNG::PNG)
 endif()
 
+if (OPENMC_USE_OPENMP)
+  target_link_libraries(libopenmc OpenMP::OpenMP_CXX)
+endif()
+
 if (OPENMC_USE_MPI)
   target_link_libraries(libopenmc MPI::MPI_CXX)
 endif()
diff --git a/cmake/OpenMCConfig.cmake.in b/cmake/OpenMCConfig.cmake.in
index 756fe26dc..1305ad3ed 100644
--- a/cmake/OpenMCConfig.cmake.in
+++ b/cmake/OpenMCConfig.cmake.in
@@ -31,6 +31,10 @@ if(@OPENMC_USE_MPI@)
   find_package(MPI REQUIRED)
 endif()
 
+if(@OPENMC_USE_OPENMP@)
+  find_package(OpenMP REQUIRED)
+endif()
+
 if(@OPENMC_USE_MCPL@)
   find_package(MCPL REQUIRED)
 endif()
diff --git a/docs/source/quickinstall.rst b/docs/source/quickinstall.rst
index b25b02fb8..7f222f77c 100644
--- a/docs/source/quickinstall.rst
+++ b/docs/source/quickinstall.rst
@@ -107,31 +107,54 @@ can be used to access the installed packages.
 .. _Spack: https://spack.readthedocs.io/en/latest/
 .. _setup guide: https://spack.readthedocs.io/en/latest/getting_started.html
 
---------------------------------
-Installing from Source on Ubuntu
---------------------------------
+-------------------------------
+Manually Installing from Source
+-------------------------------
 
-To build OpenMC from source, several :ref:`prerequisites <prerequisites>` are
-needed. If you are using Ubuntu or higher, all prerequisites can be installed
-directly from the package manager:
+Obtaining prerequisites on Ubuntu
+---------------------------------
+
+When building OpenMC from source, all :ref:`prerequisites <prerequisites>` can
+be installed using the package manager:
 
 .. code-block:: sh
 
     sudo apt install g++ cmake libhdf5-dev libpng-dev
 
-After the packages have been installed, follow the instructions below for
-building and installing OpenMC from source.
+After the packages have been installed, follow the instructions to build from
+source below.
 
--------------------------------------------
-Installing from Source on Linux or Mac OS X
--------------------------------------------
+Obtaining prerequisites on macOS
+--------------------------------
+
+For an OpenMC build with multithreading enabled, a package manager like
+`Homebrew <https://brew.sh>`_ should first be installed. Then, the following
+packages should be installed, for example in Homebrew via:
+
+.. code-block:: sh
+
+   brew install llvm cmake xtensor hdf5 python libomp libpng
+
+The compiler provided by the above LLVM package should be used in place of the
+one provisioned by XCode, which does not support the multithreading library used
+by OpenMC. Consequently, the C++ compiler should explicitly be set before
+proceeding:
+
+.. code-block:: sh
+
+   export CXX=/opt/homebrew/opt/llvm/bin/clang++
+
+After the packages have been installed, follow the instructions to build from
+source below.
+
+Building Source on Linux or macOS
+---------------------------------
 
 All OpenMC source code is hosted on `GitHub
 <https://github.com/openmc-dev/openmc>`_. If you have `git
-<https://git-scm.com>`_, the `gcc <https://gcc.gnu.org/>`_ compiler suite,
-`CMake <https://cmake.org>`_, and `HDF5
-<https://www.hdfgroup.org/solutions/hdf5/>`_ installed, you can download and
-install OpenMC be entering the following commands in a terminal:
+<https://git-scm.com>`_, a modern C++ compiler, `CMake <https://cmake.org>`_,
+and `HDF5 <https://www.hdfgroup.org/solutions/hdf5/>`_ installed, you can
+download and install OpenMC by entering the following commands in a terminal:
 
 .. code-block:: sh
 
@@ -151,14 +174,14 @@ should specify an installation directory where you have write access, e.g.
     cmake -DCMAKE_INSTALL_PREFIX=$HOME/.local ..
 
 The :mod:`openmc` Python package must be installed separately. The easiest way
-to install it is using `pip <https://pip.pypa.io/en/stable/>`_, which is
-included by default in Python 3.4+. From the root directory of the OpenMC
-distribution/repository, run:
+to install it is using `pip <https://pip.pypa.io/en/stable/>`_.
+From the root directory of the OpenMC repository, run:
 
 .. code-block:: sh
 
     python -m pip install .
 
-If you want to build a parallel version of OpenMC (using OpenMP or MPI),
-directions can be found in the :ref:`detailed installation instructions
+By default, OpenMC will be built with multithreading support. To build
+distributed-memory parallel versions of OpenMC using MPI or to configure other
+options, directions can be found in the :ref:`detailed installation instructions
 <usersguide_build>`.
diff --git a/docs/source/usersguide/install.rst b/docs/source/usersguide/install.rst
index 25329a77f..130e96c0a 100644
--- a/docs/source/usersguide/install.rst
+++ b/docs/source/usersguide/install.rst
@@ -464,11 +464,11 @@ can typically be set for a single command, i.e.
 
 .. _compile_linux:
 
-Compiling on Linux and Mac OS X
--------------------------------
+Compiling on Linux and macOS
+----------------------------
 
-To compile OpenMC on Linux or Max OS X, run the following commands from within
-the root directory of the source code:
+To compile OpenMC on Linux or macOS, run the following commands from within the
+root directory of the source code:
 
 .. code-block:: sh
 
diff --git a/examples/custom_source/CMakeLists.txt b/examples/custom_source/CMakeLists.txt
index 949817694..21463ed51 100644
--- a/examples/custom_source/CMakeLists.txt
+++ b/examples/custom_source/CMakeLists.txt
@@ -1,4 +1,4 @@
-cmake_minimum_required(VERSION 3.3 FATAL_ERROR)
+cmake_minimum_required(VERSION 3.10 FATAL_ERROR)
 project(openmc_sources CXX)
 add_library(source SHARED source_ring.cpp)
 find_package(OpenMC REQUIRED)
diff --git a/examples/parameterized_custom_source/CMakeLists.txt b/examples/parameterized_custom_source/CMakeLists.txt
index 3024e90cf..8232f3b54 100644
--- a/examples/parameterized_custom_source/CMakeLists.txt
+++ b/examples/parameterized_custom_source/CMakeLists.txt
@@ -1,4 +1,4 @@
-cmake_minimum_required(VERSION 3.3 FATAL_ERROR)
+cmake_minimum_required(VERSION 3.10 FATAL_ERROR)
 project(openmc_sources CXX)
 add_library(parameterized_source SHARED parameterized_source_ring.cpp)
 find_package(OpenMC REQUIRED)
diff --git a/openmc/data/multipole.py b/openmc/data/multipole.py
index d45d2beb6..5c9df39c2 100644
--- a/openmc/data/multipole.py
+++ b/openmc/data/multipole.py
@@ -1169,10 +1169,11 @@ class WindowedMultipole(EqualityMixin):
         sqrtE = sqrt(E)
         invE = 1.0 / E
 
-        # Locate us.  The i_window calc omits a + 1 present in F90 because of
-        # the 1-based vs. 0-based indexing.  Similarly startw needs to be
-        # decreased by 1.  endw does not need to be decreased because
-        # range(startw, endw) does not include endw.
+        # Locate us.  The i_window calc omits a + 1 present from the legacy
+        # Fortran version of OpenMC because of the 1-based vs. 0-based
+        # indexing.  Similarly startw needs to be decreased by 1.  endw does
+        # not need to be decreased because range(startw, endw) does not include
+        # endw.
         i_window = min(self.n_windows - 1,
                        int(np.floor((sqrtE - sqrt(self.E_min)) / self.spacing)))
         startw = self.windows[i_window, 0] - 1
diff --git a/openmc/mgxs/mdgxs.py b/openmc/mgxs/mdgxs.py
index 58f6a2d2f..45c559a22 100644
--- a/openmc/mgxs/mdgxs.py
+++ b/openmc/mgxs/mdgxs.py
@@ -20,7 +20,7 @@ MDGXS_TYPES = (
     'delayed-nu-fission matrix'
 )
 
-# Maximum number of delayed groups, from src/constants.F90
+# Maximum number of delayed groups, from include/openmc/constants.h
 MAX_DELAYED_GROUPS = 8
 
 
diff --git a/src/nuclide.cpp b/src/nuclide.cpp
index 14d21bb09..91adc0777 100644
--- a/src/nuclide.cpp
+++ b/src/nuclide.cpp
@@ -634,16 +634,23 @@ void Nuclide::calculate_xs(
       }
     }
 
-    // Ensure these values are set
-    // Note, the only time either is used is in one of 4 places:
-    // 1. physics.cpp - scatter - For inelastic scatter.
-    // 2. physics.cpp - sample_fission - For partial fissions.
-    // 3. tally.F90 - score_general - For tallying on MTxxx reactions.
-    // 4. nuclide.cpp - calculate_urr_xs - For unresolved purposes.
-    // It is worth noting that none of these occur in the resolved
-    // resonance range, so the value here does not matter.  index_temp is
-    // set to -1 to force a segfault in case a developer messes up and tries
-    // to use it with multipole.
+    /*
+     * index_temp, index_grid, and interp_factor are used only in the
+     * following places:
+     *   1. physics.cpp - scatter - For inelastic scatter.
+     *   2. physics.cpp - sample_fission - For partial fissions.
+     *   3. tallies/tally_scoring.cpp - score_general -
+     *        For tallying on MTxxx reactions.
+     *   4. nuclide.cpp - calculate_urr_xs - For unresolved purposes.
+     * It is worth noting that none of these occur in the resolved resonance
+     * range, so the value here does not matter.  index_temp is set to -1 to
+     * force a segfault in case a developer messes up and tries to use it with
+     * multipole.
+     *
+     * However, a segfault is not necessarily guaranteed with an out-of-bounds
+     * access, so this technique should be replaced by something more robust
+     * in the future.
+     */
     micro.index_temp = -1;
     micro.index_grid = -1;
     micro.interp_factor = 0.0;
diff --git a/src/tallies/filter_energy.cpp b/src/tallies/filter_energy.cpp
index 825dd2ee5..4767dd175 100644
--- a/src/tallies/filter_energy.cpp
+++ b/src/tallies/filter_energy.cpp
@@ -3,7 +3,7 @@
 #include <fmt/core.h>
 
 #include "openmc/capi.h"
-#include "openmc/constants.h" // For F90_NONE
+#include "openmc/constants.h" // For C_NONE
 #include "openmc/mgxs_interface.h"
 #include "openmc/search.h"
 #include "openmc/settings.h"
diff --git a/tests/regression_tests/cpp_driver/test.py b/tests/regression_tests/cpp_driver/test.py
index 79c30967c..b80e82ee0 100644
--- a/tests/regression_tests/cpp_driver/test.py
+++ b/tests/regression_tests/cpp_driver/test.py
@@ -20,7 +20,7 @@ def cpp_driver(request):
     openmc_dir = Path(str(request.config.rootdir)) / 'build'
     with open('CMakeLists.txt', 'w') as f:
         f.write(textwrap.dedent("""
-            cmake_minimum_required(VERSION 3.3 FATAL_ERROR)
+            cmake_minimum_required(VERSION 3.10 FATAL_ERROR)
             project(openmc_cpp_driver CXX)
             add_executable(cpp_driver driver.cpp)
             find_package(OpenMC REQUIRED HINTS {})
diff --git a/tests/regression_tests/dagmc/external/test.py b/tests/regression_tests/dagmc/external/test.py
index 7993772e8..57bc9ea7f 100644
--- a/tests/regression_tests/dagmc/external/test.py
+++ b/tests/regression_tests/dagmc/external/test.py
@@ -25,7 +25,7 @@ def cpp_driver(request):
     openmc_dir = Path(str(request.config.rootdir)) / 'build'
     with open('CMakeLists.txt', 'w') as f:
         f.write(textwrap.dedent("""
-            cmake_minimum_required(VERSION 3.3 FATAL_ERROR)
+            cmake_minimum_required(VERSION 3.10 FATAL_ERROR)
             project(openmc_cpp_driver CXX)
             add_executable(main main.cpp)
             find_package(OpenMC REQUIRED HINTS {})
diff --git a/tests/regression_tests/external_moab/test.py b/tests/regression_tests/external_moab/test.py
index 90bff69ed..ce4e78a2c 100644
--- a/tests/regression_tests/external_moab/test.py
+++ b/tests/regression_tests/external_moab/test.py
@@ -32,7 +32,7 @@ def cpp_driver(request):
     openmc_dir = Path(str(request.config.rootdir)) / 'build'
     with open('CMakeLists.txt', 'w') as f:
         f.write(textwrap.dedent("""
-            cmake_minimum_required(VERSION 3.3 FATAL_ERROR)
+            cmake_minimum_required(VERSION 3.10 FATAL_ERROR)
             project(openmc_cpp_driver CXX)
             add_executable(main main.cpp)
             find_package(OpenMC REQUIRED HINTS {})
diff --git a/tests/regression_tests/source_dlopen/test.py b/tests/regression_tests/source_dlopen/test.py
index efe942933..88ff9dd85 100644
--- a/tests/regression_tests/source_dlopen/test.py
+++ b/tests/regression_tests/source_dlopen/test.py
@@ -18,7 +18,7 @@ def compile_source(request):
     openmc_dir = Path(str(request.config.rootdir)) / 'build'
     with open('CMakeLists.txt', 'w') as f:
         f.write(textwrap.dedent("""
-            cmake_minimum_required(VERSION 3.3 FATAL_ERROR)
+            cmake_minimum_required(VERSION 3.10 FATAL_ERROR)
             project(openmc_sources CXX)
             add_library(source SHARED source_sampling.cpp)
             find_package(OpenMC REQUIRED HINTS {})
diff --git a/tests/regression_tests/source_parameterized_dlopen/test.py b/tests/regression_tests/source_parameterized_dlopen/test.py
index c7c5d06b1..1cc253528 100644
--- a/tests/regression_tests/source_parameterized_dlopen/test.py
+++ b/tests/regression_tests/source_parameterized_dlopen/test.py
@@ -18,7 +18,7 @@ def compile_source(request):
     openmc_dir = Path(str(request.config.rootdir)) / 'build'
     with open('CMakeLists.txt', 'w') as f:
         f.write(textwrap.dedent("""
-            cmake_minimum_required(VERSION 3.3 FATAL_ERROR)
+            cmake_minimum_required(VERSION 3.10 FATAL_ERROR)
             project(openmc_sources CXX)
             add_library(source SHARED parameterized_source_sampling.cpp)
             find_package(OpenMC REQUIRED HINTS {})

From cddb3be13944bad6a5e6762e9f2af3f689af14ad Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Sat, 20 Apr 2024 10:45:16 -0500
Subject: [PATCH 2069/2654] Add C to list of cmake project languages (#2969)

---
 CMakeLists.txt | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 49e987f22..9b08914ac 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -1,5 +1,5 @@
 cmake_minimum_required(VERSION 3.10 FATAL_ERROR)
-project(openmc CXX)
+project(openmc C CXX)
 
 # Set version numbers
 set(OPENMC_VERSION_MAJOR 0)

From b54b1e975c6696e14f274fd2fa5950d54d883882 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 24 Apr 2024 08:02:05 -0500
Subject: [PATCH 2070/2654] Update bounding_box docstrings (#2972)

---
 openmc/cell.py   |  3 +--
 openmc/region.py | 11 ++++++++---
 2 files changed, 9 insertions(+), 5 deletions(-)

diff --git a/openmc/cell.py b/openmc/cell.py
index 6de8eadec..94fac8413 100644
--- a/openmc/cell.py
+++ b/openmc/cell.py
@@ -343,8 +343,7 @@ class Cell(IDManagerMixin):
         if self.region is not None:
             return self.region.bounding_box
         else:
-            return BoundingBox(np.array([-np.inf, -np.inf, -np.inf]),
-                               np.array([np.inf, np.inf, np.inf]))
+            return BoundingBox.infinite()
 
     @property
     def num_instances(self):
diff --git a/openmc/region.py b/openmc/region.py
index d3c03b898..f679129c1 100644
--- a/openmc/region.py
+++ b/openmc/region.py
@@ -18,6 +18,11 @@ class Region(ABC):
     respective classes are typically not instantiated directly but rather are
     created through operators of the Surface and Region classes.
 
+    Attributes
+    ----------
+    bounding_box : openmc.BoundingBox
+        Axis-aligned bounding box of the region
+
     """
     def __and__(self, other):
         return Intersection((self, other))
@@ -415,7 +420,7 @@ class Intersection(Region, MutableSequence):
     Attributes
     ----------
     bounding_box : openmc.BoundingBox
-        Lower-left and upper-right coordinates of an axis-aligned bounding box
+        Axis-aligned bounding box of the region
 
     """
 
@@ -503,7 +508,7 @@ class Union(Region, MutableSequence):
     Attributes
     ----------
     bounding_box : openmc.BoundingBox
-        Lower-left and upper-right coordinates of an axis-aligned bounding box
+        Axis-aligned bounding box of the region
 
     """
 
@@ -594,7 +599,7 @@ class Complement(Region):
     node : openmc.Region
         Regions to take the complement of
     bounding_box : openmc.BoundingBox
-        Lower-left and upper-right coordinates of an axis-aligned bounding box
+        Axis-aligned bounding box of the region
 
     """
 

From 6b08f75065840ab7e3ab14347c7f447451b8dc60 Mon Sep 17 00:00:00 2001
From: Luke Labrie-Cleary <lplcleary@gmail.com>
Date: Wed, 24 Apr 2024 12:05:11 -0400
Subject: [PATCH 2071/2654] make uwuw optional (#2965)

---
 CMakeLists.txt                            | 17 ++++--
 cmake/OpenMCConfig.cmake.in               |  4 ++
 include/openmc/dagmc.h                    |  9 +++-
 openmc/lib/__init__.py                    |  3 ++
 src/dagmc.cpp                             | 66 ++++++++++++++++-------
 src/output.cpp                            |  5 ++
 tests/regression_tests/dagmc/refl/test.py |  4 +-
 tests/regression_tests/dagmc/uwuw/test.py |  4 +-
 8 files changed, 86 insertions(+), 26 deletions(-)

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 9b08914ac..1841251ff 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -39,6 +39,7 @@ option(OPENMC_USE_LIBMESH     "Enable support for libMesh unstructured mesh tall
 option(OPENMC_USE_MPI         "Enable MPI"                                           OFF)
 option(OPENMC_USE_MCPL        "Enable MCPL"                                          OFF)
 option(OPENMC_USE_NCRYSTAL    "Enable support for NCrystal scattering"               OFF)
+option(OPENMC_USE_UWUW        "Enable UWUW"                                          OFF)
 
 # Warnings for deprecated options
 foreach(OLD_OPT IN ITEMS "openmp" "profile" "coverage" "dagmc" "libmesh")
@@ -125,10 +126,15 @@ endif()
 if(OPENMC_USE_DAGMC)
   find_package(DAGMC REQUIRED PATH_SUFFIXES lib/cmake)
   if (${DAGMC_VERSION} VERSION_LESS 3.2.0)
-    message(FATAL_ERROR "Discovered DAGMC Version: ${DAGMC_VERSION}. \
-    Please update DAGMC to version 3.2.0 or greater.")
+    message(FATAL_ERROR "Discovered DAGMC Version: ${DAGMC_VERSION}."
+      "Please update DAGMC to version 3.2.0 or greater.")
   endif()
   message(STATUS "Found DAGMC: ${DAGMC_DIR} (version ${DAGMC_VERSION})")
+
+  # Check if UWUW is needed and available
+  if(OPENMC_USE_UWUW AND NOT DAGMC_BUILD_UWUW)
+    message(FATAL_ERROR "UWUW is enabled but DAGMC was not configured with UWUW.")
+  endif()
 endif()
 
 #===============================================================================
@@ -510,7 +516,7 @@ endif()
 
 if(OPENMC_USE_DAGMC)
   target_compile_definitions(libopenmc PRIVATE DAGMC)
-  target_link_libraries(libopenmc dagmc-shared uwuw-shared)
+  target_link_libraries(libopenmc dagmc-shared)
 endif()
 
 if(OPENMC_USE_LIBMESH)
@@ -547,6 +553,11 @@ if(OPENMC_USE_NCRYSTAL)
   target_link_libraries(libopenmc NCrystal::NCrystal)
 endif()
 
+if (OPENMC_USE_UWUW)
+  target_compile_definitions(libopenmc PRIVATE UWUW)
+  target_link_libraries(libopenmc uwuw-shared)
+endif()
+
 #===============================================================================
 # Log build info that this executable can report later
 #===============================================================================
diff --git a/cmake/OpenMCConfig.cmake.in b/cmake/OpenMCConfig.cmake.in
index 1305ad3ed..44a5e0d5a 100644
--- a/cmake/OpenMCConfig.cmake.in
+++ b/cmake/OpenMCConfig.cmake.in
@@ -38,3 +38,7 @@ endif()
 if(@OPENMC_USE_MCPL@)
   find_package(MCPL REQUIRED)
 endif()
+
+if(@OPENMC_USE_UWUW@)
+  find_package(UWUW REQUIRED)
+endif()
diff --git a/include/openmc/dagmc.h b/include/openmc/dagmc.h
index 0b23e567a..2facf4fc0 100644
--- a/include/openmc/dagmc.h
+++ b/include/openmc/dagmc.h
@@ -3,7 +3,8 @@
 
 namespace openmc {
 extern "C" const bool DAGMC_ENABLED;
-}
+extern "C" const bool UWUW_ENABLED;
+} // namespace openmc
 
 // always include the XML interface header
 #include "openmc/xml_interface.h"
@@ -120,6 +121,12 @@ public:
   void write_uwuw_materials_xml(
     const std::string& outfile = "uwuw_materials.xml") const;
 
+  //! Assign a material to a cell from uwuw material library
+  //! \param[in] vol_handle The DAGMC material assignment string
+  //! \param[in] c The OpenMC cell to which the material is assigned
+  void uwuw_assign_material(
+    moab::EntityHandle vol_handle, std::unique_ptr<DAGCell>& c) const;
+
   //! Assign a material to a cell based
   //! \param[in] mat_string The DAGMC material assignment string
   //! \param[in] c The OpenMC cell to which the material is assigned
diff --git a/openmc/lib/__init__.py b/openmc/lib/__init__.py
index 0e5ad92fe..dc5bd7d9b 100644
--- a/openmc/lib/__init__.py
+++ b/openmc/lib/__init__.py
@@ -54,6 +54,9 @@ def _libmesh_enabled():
 def _mcpl_enabled():
     return c_bool.in_dll(_dll, "MCPL_ENABLED").value
 
+def _uwuw_enabled():
+    return c_bool.in_dll(_dll, "UWUW_ENABLED").value
+
 
 from .error import *
 from .core import *
diff --git a/src/dagmc.cpp b/src/dagmc.cpp
index 6a4865c39..2f2502f6e 100644
--- a/src/dagmc.cpp
+++ b/src/dagmc.cpp
@@ -11,7 +11,7 @@
 #include "openmc/settings.h"
 #include "openmc/string_utils.h"
 
-#ifdef DAGMC
+#ifdef UWUW
 #include "uwuw.hpp"
 #endif
 #include <fmt/core.h>
@@ -29,6 +29,12 @@ const bool DAGMC_ENABLED = true;
 const bool DAGMC_ENABLED = false;
 #endif
 
+#ifdef UWUW
+const bool UWUW_ENABLED = true;
+#else
+const bool UWUW_ENABLED = false;
+#endif
+
 } // namespace openmc
 
 #ifdef DAGMC
@@ -85,7 +91,6 @@ DAGUniverse::DAGUniverse(std::shared_ptr<moab::DagMC> dagmc_ptr,
 {
   set_id();
   init_metadata();
-  read_uwuw_materials();
   init_geometry();
 }
 
@@ -111,8 +116,6 @@ void DAGUniverse::initialize()
 
   init_metadata();
 
-  read_uwuw_materials();
-
   init_geometry();
 }
 
@@ -209,20 +212,7 @@ void DAGUniverse::init_geometry()
       c->material_.push_back(MATERIAL_VOID);
     } else {
       if (uses_uwuw()) {
-        // lookup material in uwuw if present
-        std::string uwuw_mat =
-          dmd_ptr->volume_material_property_data_eh[vol_handle];
-        if (uwuw_->material_library.count(uwuw_mat) != 0) {
-          // Note: material numbers are set by UWUW
-          int mat_number = uwuw_->material_library.get_material(uwuw_mat)
-                             .metadata["mat_number"]
-                             .asInt();
-          c->material_.push_back(mat_number);
-        } else {
-          fatal_error(fmt::format("Material with value '{}' not found in the "
-                                  "UWUW material library",
-            mat_str));
-        }
+        uwuw_assign_material(vol_handle, c);
       } else {
         legacy_assign_material(mat_str, c);
       }
@@ -439,11 +429,16 @@ void DAGUniverse::to_hdf5(hid_t universes_group) const
 
 bool DAGUniverse::uses_uwuw() const
 {
+#ifdef UWUW
   return uwuw_ && !uwuw_->material_library.empty();
+#else
+  return false;
+#endif // UWUW
 }
 
 std::string DAGUniverse::get_uwuw_materials_xml() const
 {
+#ifdef UWUW
   if (!uses_uwuw()) {
     throw std::runtime_error("This DAGMC Universe does not use UWUW materials");
   }
@@ -461,10 +456,14 @@ std::string DAGUniverse::get_uwuw_materials_xml() const
   ss << "</materials>";
 
   return ss.str();
+#else
+  fatal_error("DAGMC was not configured with UWUW.");
+#endif // UWUW
 }
 
 void DAGUniverse::write_uwuw_materials_xml(const std::string& outfile) const
 {
+#ifdef UWUW
   if (!uses_uwuw()) {
     throw std::runtime_error(
       "This DAGMC universe does not use UWUW materials.");
@@ -475,6 +474,9 @@ void DAGUniverse::write_uwuw_materials_xml(const std::string& outfile) const
   std::ofstream mats_xml(outfile);
   mats_xml << xml_str;
   mats_xml.close();
+#else
+  fatal_error("DAGMC was not configured with UWUW.");
+#endif
 }
 
 void DAGUniverse::legacy_assign_material(
@@ -536,6 +538,7 @@ void DAGUniverse::legacy_assign_material(
 
 void DAGUniverse::read_uwuw_materials()
 {
+#ifdef UWUW
   // If no filename was provided, don't read UWUW materials
   if (filename_ == "")
     return;
@@ -573,8 +576,35 @@ void DAGUniverse::read_uwuw_materials()
   for (pugi::xml_node material_node : root.children("material")) {
     model::materials.push_back(std::make_unique<Material>(material_node));
   }
+#else
+  fatal_error("DAGMC was not configured with UWUW.");
+#endif
 }
 
+void DAGUniverse::uwuw_assign_material(
+  moab::EntityHandle vol_handle, std::unique_ptr<DAGCell>& c) const
+{
+#ifdef UWUW
+  // read materials from uwuw material file
+  read_uwuw_materials();
+
+  // lookup material in uwuw if present
+  std::string uwuw_mat = dmd_ptr->volume_material_property_data_eh[vol_handle];
+  if (uwuw_->material_library.count(uwuw_mat) != 0) {
+    // Note: material numbers are set by UWUW
+    int mat_number = uwuw_->material_library.get_material(uwuw_mat)
+                       .metadata["mat_number"]
+                       .asInt();
+    c->material_.push_back(mat_number);
+  } else {
+    fatal_error(fmt::format("Material with value '{}' not found in the "
+                            "UWUW material library",
+      mat_str));
+  }
+#else
+  fatal_error("DAGMC was not configured with UWUW.");
+#endif
+}
 //==============================================================================
 // DAGMC Cell implementation
 //==============================================================================
diff --git a/src/output.cpp b/src/output.cpp
index b1b963f7d..5fdbea130 100644
--- a/src/output.cpp
+++ b/src/output.cpp
@@ -318,6 +318,7 @@ void print_build_info()
   std::string coverage(n);
   std::string mcpl(n);
   std::string ncrystal(n);
+  std::string uwuw(n);
 
 #ifdef PHDF5
   phdf5 = y;
@@ -346,6 +347,9 @@ void print_build_info()
 #ifdef COVERAGEBUILD
   coverage = y;
 #endif
+#ifdef UWUW
+  uwuw = y;
+#endif
 
   // Wraps macro variables in quotes
 #define STRINGIFY(x) STRINGIFY2(x)
@@ -364,6 +368,7 @@ void print_build_info()
     fmt::print("NCrystal support:      {}\n", ncrystal);
     fmt::print("Coverage testing:      {}\n", coverage);
     fmt::print("Profiling flags:       {}\n", profiling);
+    fmt::print("UWUW support:          {}\n", uwuw);
   }
 }
 
diff --git a/tests/regression_tests/dagmc/refl/test.py b/tests/regression_tests/dagmc/refl/test.py
index 03c1c407b..a13acc025 100644
--- a/tests/regression_tests/dagmc/refl/test.py
+++ b/tests/regression_tests/dagmc/refl/test.py
@@ -6,8 +6,8 @@ import pytest
 from tests.testing_harness import PyAPITestHarness
 
 pytestmark = pytest.mark.skipif(
-    not openmc.lib._dagmc_enabled(),
-    reason="DAGMC CAD geometry is not enabled.")
+    not openmc.lib._uwuw_enabled(),
+    reason="UWUW is not enabled.")
 
 class UWUWTest(PyAPITestHarness):
     def __init__(self, *args, **kwargs):
diff --git a/tests/regression_tests/dagmc/uwuw/test.py b/tests/regression_tests/dagmc/uwuw/test.py
index 38c335a5e..bea464cfa 100644
--- a/tests/regression_tests/dagmc/uwuw/test.py
+++ b/tests/regression_tests/dagmc/uwuw/test.py
@@ -6,8 +6,8 @@ import pytest
 from tests.testing_harness import PyAPITestHarness
 
 pytestmark = pytest.mark.skipif(
-    not openmc.lib._dagmc_enabled(),
-    reason="DAGMC CAD geometry is not enabled.")
+    not openmc.lib._uwuw_enabled(),
+    reason="UWUW is not enabled.")
 
 class UWUWTest(PyAPITestHarness):
     def __init__(self, *args, **kwargs):

From 1d56adbc3deb83145cab5539723f3c92bd30ce17 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Wed, 24 Apr 2024 19:07:36 +0100
Subject: [PATCH 2072/2654] added damage-energy as optional reaction for micro
 (#2903)

---
 openmc/deplete/microxs.py | 1 +
 1 file changed, 1 insertion(+)

diff --git a/openmc/deplete/microxs.py b/openmc/deplete/microxs.py
index c1c4cb7ac..d80c52baa 100644
--- a/openmc/deplete/microxs.py
+++ b/openmc/deplete/microxs.py
@@ -24,6 +24,7 @@ import openmc.lib
 
 _valid_rxns = list(REACTIONS)
 _valid_rxns.append('fission')
+_valid_rxns.append('damage-energy')
 
 
 def _resolve_chain_file_path(chain_file: str):

From 3370ce1978ebea3dc70de24ffbbe47d41383c282 Mon Sep 17 00:00:00 2001
From: Catherine Yu <76599141+cxtherineyu@users.noreply.github.com>
Date: Wed, 24 Apr 2024 17:05:10 -0400
Subject: [PATCH 2073/2654] Print warning if no natural isotopes when using
 add_element and wrote unit test (#2938)

Co-authored-by: Catherine Yu <cathyy@umich.edu>
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/element.py                | 5 +++++
 tests/unit_tests/test_element.py | 9 ++++++++-
 2 files changed, 13 insertions(+), 1 deletion(-)

diff --git a/openmc/element.py b/openmc/element.py
index f9cf102f7..082bee522 100644
--- a/openmc/element.py
+++ b/openmc/element.py
@@ -1,4 +1,5 @@
 import re
+import warnings
 
 import lxml.etree as ET
 
@@ -123,6 +124,10 @@ class Element(str):
         # Get the nuclides present in nature
         natural_nuclides = {name for name, abundance in natural_isotopes(self)}
 
+        # Issue warning if no existing nuclides
+        if len(natural_nuclides) == 0:
+            warnings.warn(f"No naturally occurring isotopes found for {self}.")
+
         # Create dict to store the expanded nuclides and abundances
         abundances = {}
 
diff --git a/tests/unit_tests/test_element.py b/tests/unit_tests/test_element.py
index bacb988b9..d3555701e 100644
--- a/tests/unit_tests/test_element.py
+++ b/tests/unit_tests/test_element.py
@@ -1,5 +1,5 @@
 import openmc
-from pytest import approx, raises
+from pytest import approx, raises, warns
 
 from openmc.data import NATURAL_ABUNDANCE, atomic_mass
 
@@ -37,6 +37,13 @@ def test_expand_enrichment():
         assert isotope[1] == approx(ref[isotope[0]])
 
 
+def test_expand_no_isotopes():
+    """Test that correct warning is raised for elements with no isotopes"""
+    with warns(UserWarning, match='No naturally occurring'):
+        element = openmc.Element('Tc')
+        element.expand(100.0, 'ao')
+
+
 def test_expand_exceptions():
     """ Test that correct exceptions are raised for invalid input """
 

From f543c007a3662226c65a7dd71a6c5e93937c4468 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Wed, 24 Apr 2024 17:09:56 -0500
Subject: [PATCH 2074/2654] Statepoint file loading refactor and CAPI function
 (#2886)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 docs/source/pythonapi/capi.rst                |  1 +
 docs/source/usersguide/settings.rst           | 34 +++++++++++++++
 include/openmc/capi.h                         |  1 +
 openmc/lib/core.py                            | 18 ++++++++
 src/simulation.cpp                            |  8 +++-
 src/state_point.cpp                           | 42 ++++++++++++-------
 .../statepoint_restart/test.py                | 24 +++++++----
 7 files changed, 104 insertions(+), 24 deletions(-)

diff --git a/docs/source/pythonapi/capi.rst b/docs/source/pythonapi/capi.rst
index 313543199..995ad97fa 100644
--- a/docs/source/pythonapi/capi.rst
+++ b/docs/source/pythonapi/capi.rst
@@ -43,6 +43,7 @@ Functions
    simulation_finalize
    simulation_init
    source_bank
+   statepoint_load
    statepoint_write
 
 Classes
diff --git a/docs/source/usersguide/settings.rst b/docs/source/usersguide/settings.rst
index 81fa78991..e966423f0 100644
--- a/docs/source/usersguide/settings.rst
+++ b/docs/source/usersguide/settings.rst
@@ -628,3 +628,37 @@ instance, whereas the :meth:`openmc.Track.filter` method returns a new
           .. code-block:: sh
 
             openmc-track-combine tracks_p*.h5 --out tracks.h5
+
+-----------------------
+Restarting a Simulation
+-----------------------
+
+OpenMC can be run in a mode where it reads in a statepoint file and continues a
+simulation from the ending point of the statepoint file. A restart simulation
+can be performed by passing the path to the statepoint file to the OpenMC
+executable:
+
+.. code-block:: sh
+
+    openmc -r statepoint.100.h5
+
+From the Python API, the `restart_file` argument provides the same behavior:
+
+.. code-block:: python
+
+    openmc.run(restart_file='statepoint.100.h5')
+
+or if using the :class:`~openmc.Model` class:
+
+.. code-block:: python
+
+    model.run(restart_file='statepoint.100.h5')
+
+The restart simulation will execute until the number of batches specified in the
+:class:`~openmc.Settings` object on a model (or in the :ref:`settings XML file
+<io_settings>`) is satisfied. Note that if the number of batches in the
+statepoint file is the same as that specified in the settings object (i.e., if
+the inputs were not modified before the restart run), no particles will be
+transported and OpenMC will exit immediately.
+
+.. note:: A statepoint file must match the input model to be successfully used in a restart simulation.
diff --git a/include/openmc/capi.h b/include/openmc/capi.h
index 5f98152cd..9401156a6 100644
--- a/include/openmc/capi.h
+++ b/include/openmc/capi.h
@@ -150,6 +150,7 @@ int openmc_sphharm_filter_get_cosine(int32_t index, char cosine[]);
 int openmc_sphharm_filter_set_order(int32_t index, int order);
 int openmc_sphharm_filter_set_cosine(int32_t index, const char cosine[]);
 int openmc_statepoint_write(const char* filename, bool* write_source);
+int openmc_statepoint_load(const char* filename);
 int openmc_tally_allocate(int32_t index, const char* type);
 int openmc_tally_get_active(int32_t index, bool* active);
 int openmc_tally_get_estimator(int32_t index, int* estimator);
diff --git a/openmc/lib/core.py b/openmc/lib/core.py
index 4ea1c86d0..d8e0bfdb5 100644
--- a/openmc/lib/core.py
+++ b/openmc/lib/core.py
@@ -95,6 +95,11 @@ _dll.openmc_simulation_finalize.errcheck = _error_handler
 _dll.openmc_statepoint_write.argtypes = [c_char_p, POINTER(c_bool)]
 _dll.openmc_statepoint_write.restype = c_int
 _dll.openmc_statepoint_write.errcheck = _error_handler
+_dll.openmc_statepoint_load.argtypes = [c_char_p]
+_dll.openmc_statepoint_load.restype = c_int
+_dll.openmc_statepoint_load.errcheck = _error_handler
+_dll.openmc_statepoint_write.restype = c_int
+_dll.openmc_statepoint_write.errcheck = _error_handler
 _dll.openmc_global_bounding_box.argtypes = [POINTER(c_double),
                                             POINTER(c_double)]
 _dll.openmc_global_bounding_box.restype = c_int
@@ -568,6 +573,19 @@ def statepoint_write(filename=None, write_source=True):
     _dll.openmc_statepoint_write(filename, c_bool(write_source))
 
 
+def statepoint_load(filename: PathLike):
+    """Load a statepoint file.
+
+    Parameters
+    ----------
+    filename : path-like
+        Path to the statepoint to load.
+
+    """
+    filename = c_char_p(str(filename).encode())
+    _dll.openmc_statepoint_load(filename)
+
+
 @contextmanager
 def run_in_memory(**kwargs):
     """Provides context manager for calling OpenMC shared library functions.
diff --git a/src/simulation.cpp b/src/simulation.cpp
index 1cf34a820..43d920606 100644
--- a/src/simulation.cpp
+++ b/src/simulation.cpp
@@ -54,8 +54,14 @@ int openmc_run()
   openmc::simulation::time_total.start();
   openmc_simulation_init();
 
-  int err = 0;
+  // Ensure that a batch isn't executed in the case that the maximum number of
+  // batches has already been run in a restart statepoint file
   int status = 0;
+  if (openmc::simulation::current_batch >= openmc::settings::n_max_batches) {
+    status = openmc::STATUS_EXIT_MAX_BATCH;
+  }
+
+  int err = 0;
   while (status == 0 && err == 0) {
     err = openmc_next_batch(&status);
   }
diff --git a/src/state_point.cpp b/src/state_point.cpp
index bff621320..c7b7d6ad8 100644
--- a/src/state_point.cpp
+++ b/src/state_point.cpp
@@ -364,11 +364,27 @@ void restart_set_keff()
 
 void load_state_point()
 {
-  // Write message
-  write_message("Loading state point " + settings::path_statepoint + "...", 5);
+  write_message(
+    fmt::format("Loading state point {}...", settings::path_statepoint_c), 5);
+  openmc_statepoint_load(settings::path_statepoint.c_str());
+}
 
+void statepoint_version_check(hid_t file_id)
+{
+  // Read revision number for state point file and make sure it matches with
+  // current version
+  array<int, 2> version_array;
+  read_attribute(file_id, "version", version_array);
+  if (version_array != VERSION_STATEPOINT) {
+    fatal_error(
+      "State point version does not match current version in OpenMC.");
+  }
+}
+
+extern "C" int openmc_statepoint_load(const char* filename)
+{
   // Open file for reading
-  hid_t file_id = file_open(settings::path_statepoint.c_str(), 'r', true);
+  hid_t file_id = file_open(filename, 'r', true);
 
   // Read filetype
   std::string word;
@@ -377,14 +393,7 @@ void load_state_point()
     fatal_error("OpenMC tried to restart from a non-statepoint file.");
   }
 
-  // Read revision number for state point file and make sure it matches with
-  // current version
-  array<int, 2> array;
-  read_attribute(file_id, "version", array);
-  if (array != VERSION_STATEPOINT) {
-    fatal_error(
-      "State point version does not match current version in OpenMC.");
-  }
+  statepoint_version_check(file_id);
 
   // Read and overwrite random number seed
   int64_t seed;
@@ -421,9 +430,10 @@ void load_state_point()
   read_dataset(file_id, "current_batch", simulation::restart_batch);
 
   if (simulation::restart_batch >= settings::n_max_batches) {
-    fatal_error(fmt::format(
-      "The number of batches specified for simulation ({}) is smaller"
-      " than the number of batches in the restart statepoint file ({})",
+    warning(fmt::format(
+      "The number of batches specified for simulation ({}) is smaller "
+      "than or equal to the number of batches in the restart statepoint file "
+      "({})",
       settings::n_max_batches, simulation::restart_batch));
   }
 
@@ -489,7 +499,6 @@ void load_state_point()
         if (internal) {
           tally->writable_ = false;
         } else {
-
           auto& results = tally->results_;
           read_tally_results(tally_group, results.shape()[0],
             results.shape()[1], results.data());
@@ -497,7 +506,6 @@ void load_state_point()
           close_group(tally_group);
         }
       }
-
       close_group(tallies_group);
     }
   }
@@ -525,6 +533,8 @@ void load_state_point()
 
   // Close file
   file_close(file_id);
+
+  return 0;
 }
 
 hid_t h5banktype()
diff --git a/tests/regression_tests/statepoint_restart/test.py b/tests/regression_tests/statepoint_restart/test.py
index 1e98bc480..82e514da8 100644
--- a/tests/regression_tests/statepoint_restart/test.py
+++ b/tests/regression_tests/statepoint_restart/test.py
@@ -1,7 +1,6 @@
 from pathlib import Path
 
 import openmc
-import pytest
 
 from tests.testing_harness import TestHarness
 from tests.regression_tests import config
@@ -61,24 +60,35 @@ def test_statepoint_restart():
     harness.main()
 
 
-def test_batch_check(request):
+def test_batch_check(request, capsys):
     xmls = list(request.path.parent.glob('*.xml'))
 
     with cdtemp(xmls):
         model = openmc.Model.from_xml()
         model.settings.particles = 100
+
         # run the model
-        sp_file = model.run()
+        sp_file = model.run(export_model_xml=False)
+        assert sp_file is not None
 
         # run a restart with the resulting statepoint
         # and the settings unchanged
-        with pytest.raises(RuntimeError, match='is smaller than the number of batches'):
-            model.run(restart_file=sp_file)
+        model.settings.batches = 6
+        # ensure we capture output only from the next run
+        capsys.readouterr()
+        sp_file = model.run(export_model_xml=False, restart_file=sp_file)
+        # indicates that a new statepoint file was not created
+        assert sp_file is None
 
-        # update the number of batches and run again
+        output = capsys.readouterr().out
+        assert "WARNING" in output
+        assert "The number of batches specified for simulation" in output
+
+        # update the number of batches and run again,
+        # this restart run should be successful
         model.settings.batches = 15
         model.settings.statepoint = {}
-        sp_file = model.run(restart_file=sp_file)
+        sp_file = model.run(export_model_xml=False, restart_file=sp_file)
 
         sp = openmc.StatePoint(sp_file)
         assert sp.n_batches == 15

From 7936b8a59c578e4a2ea221f1da5dbea2ef7f95ee Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Wed, 24 Apr 2024 17:14:17 -0500
Subject: [PATCH 2075/2654] Support track file writing for particle restart
 runs. (#2957)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 src/particle_restart.cpp        |  8 +++++++-
 tests/unit_tests/test_tracks.py | 33 +++++++++++++++++++++++++++++++++
 2 files changed, 40 insertions(+), 1 deletion(-)

diff --git a/src/particle_restart.cpp b/src/particle_restart.cpp
index 32d187dd8..6b7778211 100644
--- a/src/particle_restart.cpp
+++ b/src/particle_restart.cpp
@@ -87,8 +87,10 @@ void run_particle_restart()
   read_particle_restart(p, previous_run_mode);
 
   // write track if that was requested on command line
-  if (settings::write_all_tracks)
+  if (settings::write_all_tracks) {
+    open_track_file();
     p.write_track() = true;
+  }
 
   // Set all tallies to 0 for now (just tracking errors)
   model::tallies.clear();
@@ -123,6 +125,10 @@ void run_particle_restart()
 
   // Write output if particle made it
   print_particle(p);
+
+  if (settings::write_all_tracks) {
+    close_track_file();
+  }
 }
 
 } // namespace openmc
diff --git a/tests/unit_tests/test_tracks.py b/tests/unit_tests/test_tracks.py
index 3a0170155..3951a72c6 100644
--- a/tests/unit_tests/test_tracks.py
+++ b/tests/unit_tests/test_tracks.py
@@ -1,5 +1,6 @@
 from pathlib import Path
 
+import h5py
 import numpy as np
 import openmc
 import pytest
@@ -157,3 +158,35 @@ def test_write_to_vtk(sphere_model):
 
     assert isinstance(polydata, vtk.vtkPolyData)
     assert Path('tracks.vtp').is_file()
+
+
+def test_restart_track(run_in_tmpdir, sphere_model):
+    # cut the sphere model in half with an improper boundary condition
+    plane = openmc.XPlane(x0=-1.0)
+    for cell in sphere_model.geometry.get_all_cells().values():
+        cell.region &= +plane
+
+    # generate lost particle files
+    with pytest.raises(RuntimeError, match='Maximum number of lost particles has been reached.'):
+        sphere_model.run(output=False)
+
+    lost_particle_files = list(Path.cwd().glob('particle_*.h5'))
+    assert len(lost_particle_files) > 0
+    particle_file = lost_particle_files[0]
+     # restart the lost particle with tracks enabled
+    sphere_model.run(tracks=True, restart_file=particle_file)
+    tracks_file = Path('tracks.h5')
+    assert tracks_file.is_file()
+
+    # check that the last track of the file matches the lost particle file
+    tracks = openmc.Tracks(tracks_file)
+    initial_state = tracks[0].particle_tracks[0].states[0]
+    restart_r = np.array(initial_state['r'])
+    restart_u = np.array(initial_state['u'])
+
+    with h5py.File(particle_file, 'r') as lost_particle_file:
+        lost_r = np.array(lost_particle_file['xyz'][()])
+        lost_u = np.array(lost_particle_file['uvw'][()])
+
+    pytest.approx(restart_r, lost_r)
+    pytest.approx(restart_u, lost_u)

From ff50afb19ffe9cffb5707118a7796b1ba534f280 Mon Sep 17 00:00:00 2001
From: Gavin Ridley <gavin.keith.ridley@gmail.com>
Date: Wed, 24 Apr 2024 17:14:37 -0500
Subject: [PATCH 2076/2654] Allow pure decay IndependentOperator (#2966)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/deplete/abc.py                         |  2 +-
 openmc/deplete/independent_operator.py        |  9 +++--
 ...ecay_products.py => test_deplete_decay.py} | 36 +++++++++++++++++++
 3 files changed, 43 insertions(+), 4 deletions(-)
 rename tests/unit_tests/{test_deplete_decay_products.py => test_deplete_decay.py} (55%)

diff --git a/openmc/deplete/abc.py b/openmc/deplete/abc.py
index a574d4855..fa07ad12a 100644
--- a/openmc/deplete/abc.py
+++ b/openmc/deplete/abc.py
@@ -848,7 +848,7 @@ class Integrator(ABC):
                 print(f"[openmc.deplete] t={t} (final operator evaluation)")
             res_list = [self.operator(n, source_rate if final_step else 0.0)]
             StepResult.save(self.operator, [n], res_list, [t, t],
-                         source_rate, self._i_res + len(self), proc_time)
+                         source_rate, self._i_res + len(self), proc_time, path)
             self.operator.write_bos_data(len(self) + self._i_res)
 
         self.operator.finalize()
diff --git a/openmc/deplete/independent_operator.py b/openmc/deplete/independent_operator.py
index 5469b28c7..2328ca761 100644
--- a/openmc/deplete/independent_operator.py
+++ b/openmc/deplete/independent_operator.py
@@ -241,7 +241,6 @@ class IndependentOperator(OpenMCOperator):
                    reduce_chain_level=reduce_chain_level,
                    fission_yield_opts=fission_yield_opts)
 
-
     @staticmethod
     def _consolidate_nuclides_to_material(nuclides, nuc_units, volume):
         """Puts nuclide list into an openmc.Materials object.
@@ -270,7 +269,6 @@ class IndependentOperator(OpenMCOperator):
         self.prev_res[-1].transfer_volumes(model)
         self.materials = model.materials
 
-
         # Store previous results in operator
         # Distribute reaction rates according to those tracked
         # on this process
@@ -282,7 +280,6 @@ class IndependentOperator(OpenMCOperator):
                 new_res = res_obj.distribute(self.local_mats, mat_indexes)
                 self.prev_res.append(new_res)
 
-
     def _get_nuclides_with_data(self, cross_sections: List[MicroXS]) -> Set[str]:
         """Finds nuclides with cross section data"""
         return set(cross_sections[0].nuclides)
@@ -412,6 +409,12 @@ class IndependentOperator(OpenMCOperator):
 
         self._update_materials_and_nuclides(vec)
 
+        # If the source rate is zero, return zero reaction rates
+        if source_rate == 0.0:
+            rates = self.reaction_rates.copy()
+            rates.fill(0.0)
+            return OperatorResult(ufloat(0.0, 0.0), rates)
+
         rates = self._calculate_reaction_rates(source_rate)
         keff = self._keff
 
diff --git a/tests/unit_tests/test_deplete_decay_products.py b/tests/unit_tests/test_deplete_decay.py
similarity index 55%
rename from tests/unit_tests/test_deplete_decay_products.py
rename to tests/unit_tests/test_deplete_decay.py
index 751a96ca6..aca812560 100644
--- a/tests/unit_tests/test_deplete_decay_products.py
+++ b/tests/unit_tests/test_deplete_decay.py
@@ -1,3 +1,5 @@
+from pathlib import Path
+
 import openmc.deplete
 import numpy as np
 import pytest
@@ -45,3 +47,37 @@ def test_deplete_decay_products(run_in_tmpdir):
     # H1 and He4
     assert h1[1] == pytest.approx(1e24)
     assert he4[1] == pytest.approx(1e24)
+
+
+def test_deplete_decay_step_fissionable(run_in_tmpdir):
+    """Ensures that power is not computed in zero power cases with
+    fissionable material present. This tests decay calculations without
+    power, although this specific example does not exhibit any decay.
+
+    Proves github issue #2963 is fixed
+    """
+
+    # Set up a pure decay operator
+    micro_xs = openmc.deplete.MicroXS(np.empty((0, 0)), [], [])
+    mat = openmc.Material()
+    mat.name = 'I do not decay.'
+    mat.add_nuclide('U238', 1.0, 'ao')
+    mat.volume = 10.0
+    mat.set_density('g/cc', 1.0)
+    original_atoms = mat.get_nuclide_atoms()['U238']
+
+    mats = openmc.Materials([mat])
+    op = openmc.deplete.IndependentOperator(
+        mats, [1.0], [micro_xs], Path(__file__).parents[1] / "chain_simple.xml")
+
+    # Create time integrator and integrate
+    integrator = openmc.deplete.PredictorIntegrator(
+        op, [1.0], power=[0.0], timestep_units='s'
+    )
+    integrator.integrate()
+
+    # Get concentration of U238. It should be unchanged since this chain has no U238 decay.
+    results = openmc.deplete.Results('depletion_results.h5')
+    _, u238 = results.get_atoms("1", "U238")
+
+    assert u238[1] == pytest.approx(original_atoms)

From 95b15f9522aa11b8d1eca6f8270c519ef85575ca Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Thu, 25 Apr 2024 01:39:51 +0100
Subject: [PATCH 2077/2654] moved apt get to optional ci parts (#2970)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 .github/workflows/ci.yml        | 14 ++++++++++++--
 tools/ci/gha-install-vectfit.sh |  2 --
 2 files changed, 12 insertions(+), 4 deletions(-)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index c5accc5e0..7aaaf1da4 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -111,16 +111,26 @@ jobs:
         run: |
           sudo apt -y update
           sudo apt install -y libpng-dev \
-                              libmpich-dev \
                               libnetcdf-dev \
                               libpnetcdf-dev \
                               libhdf5-serial-dev \
-                              libhdf5-mpich-dev \
                               libeigen3-dev
+
+      - name: Optional apt dependencies for MPI
+        shell: bash
+        if: ${{ matrix.mpi == 'y' }}
+        run: |
+          sudo apt install -y libhdf5-mpich-dev \
+                              libmpich-dev
           sudo update-alternatives --set mpi /usr/bin/mpicc.mpich
           sudo update-alternatives --set mpirun /usr/bin/mpirun.mpich
           sudo update-alternatives --set mpi-x86_64-linux-gnu /usr/include/x86_64-linux-gnu/mpich
 
+      - name: Optional apt dependencies for vectfit
+        shell: bash
+        if: ${{ matrix.vectfit == 'y' }}
+        run: sudo apt install -y libblas-dev liblapack-dev
+
       - name: install
         shell: bash
         run: |
diff --git a/tools/ci/gha-install-vectfit.sh b/tools/ci/gha-install-vectfit.sh
index 8444c3036..bd38e1ea8 100755
--- a/tools/ci/gha-install-vectfit.sh
+++ b/tools/ci/gha-install-vectfit.sh
@@ -16,8 +16,6 @@ XTENSOR_PYTHON_REPO='https://github.com/xtensor-stack/xtensor-python'
 XTENSOR_BLAS_BRANCH='0.17.1'
 XTENSOR_BLAS_REPO='https://github.com/xtensor-stack/xtensor-blas'
 
-sudo apt-get install -y libblas-dev liblapack-dev
-
 cd $HOME
 git clone -b $PYBIND_BRANCH $PYBIND_REPO
 cd pybind11 && mkdir build && cd build && cmake .. && sudo make install

From d1d37a5b99c90ea8cf5cb150c33cfaa6c84910c1 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 26 Apr 2024 05:57:02 -0500
Subject: [PATCH 2078/2654] Allow MOAB k-d tree to be configured (#2976)

---
 docs/source/io_formats/statepoint.rst         |  2 ++
 docs/source/io_formats/tallies.rst            |  4 +++
 include/openmc/mesh.h                         | 10 +++---
 openmc/filter.py                              |  8 ++---
 openmc/mesh.py                                | 36 +++++++++++++++++--
 src/mesh.cpp                                  | 36 ++++++++++++++-----
 .../unstructured_mesh/inputs_true10.dat       |  2 +-
 .../unstructured_mesh/inputs_true11.dat       |  2 +-
 .../unstructured_mesh/inputs_true12.dat       |  2 +-
 .../unstructured_mesh/inputs_true13.dat       |  2 +-
 .../unstructured_mesh/inputs_true14.dat       |  2 +-
 .../unstructured_mesh/inputs_true15.dat       |  2 +-
 .../unstructured_mesh/inputs_true8.dat        |  2 +-
 .../unstructured_mesh/inputs_true9.dat        |  2 +-
 .../unstructured_mesh/test.py                 |  2 ++
 15 files changed, 85 insertions(+), 29 deletions(-)

diff --git a/docs/source/io_formats/statepoint.rst b/docs/source/io_formats/statepoint.rst
index edff686b1..f61e967ca 100644
--- a/docs/source/io_formats/statepoint.rst
+++ b/docs/source/io_formats/statepoint.rst
@@ -96,6 +96,8 @@ The current version of the statepoint file format is 18.1.
               - **library** (*char[]*) -- Mesh library used to represent the
                                           mesh ("moab" or "libmesh").
               - **length_multiplier** (*double*) Scaling factor applied to the mesh.
+              - **options** (*char[]*) -- Special options that control spatial
+                                          search data structures used.
               - **volumes** (*double[]*) -- Volume of each mesh cell.
               - **vertices** (*double[]*) -- x, y, z values of the mesh vertices.
               - **connectivity** (*int[]*) -- Connectivity array for the mesh
diff --git a/docs/source/io_formats/tallies.rst b/docs/source/io_formats/tallies.rst
index b88877b83..c28db988b 100644
--- a/docs/source/io_formats/tallies.rst
+++ b/docs/source/io_formats/tallies.rst
@@ -364,6 +364,10 @@ attributes/sub-elements:
     The mesh library used to represent an unstructured mesh. This can be either
     "moab" or "libmesh". (For unstructured mesh only.)
 
+  :options:
+    Special options that control spatial search data structures used. (For
+    unstructured mesh using MOAB only)
+
   :filename:
     The name of the mesh file to be loaded at runtime. (For unstructured mesh
     only.)
diff --git a/include/openmc/mesh.h b/include/openmc/mesh.h
index 37b771832..3917e6368 100644
--- a/include/openmc/mesh.h
+++ b/include/openmc/mesh.h
@@ -659,11 +659,6 @@ protected:
   //! Set the length multiplier to apply to each point in the mesh
   void set_length_multiplier(const double length_multiplier);
 
-  // Data members
-  double length_multiplier_ {
-    1.0}; //!< Constant multiplication factor to apply to mesh coordinates
-  bool specified_length_multiplier_ {false};
-
   //! Sample barycentric coordinates given a seed and the vertex positions and
   //! return the sampled position
   //
@@ -672,6 +667,11 @@ protected:
   //! \return Sampled position within the tetrahedron
   Position sample_tet(std::array<Position, 4> coords, uint64_t* seed) const;
 
+  // Data members
+  double length_multiplier_ {
+    -1.0};              //!< Multiplicative factor applied to mesh coordinates
+  std::string options_; //!< Options for search data structures
+
 private:
   //! Setup method for the mesh. Builds data structures,
   //! sets up element mapping, creates bounding boxes, etc.
diff --git a/openmc/filter.py b/openmc/filter.py
index 66d832c69..e005140ee 100644
--- a/openmc/filter.py
+++ b/openmc/filter.py
@@ -1,3 +1,4 @@
+from __future__ import annotations
 from abc import ABCMeta
 from collections.abc import Iterable
 import hashlib
@@ -804,8 +805,8 @@ class MeshFilter(Filter):
     id : int
         Unique identifier for the filter
     translation : Iterable of float
-        This array specifies a vector that is used to translate (shift)
-        the mesh for this filter
+        This array specifies a vector that is used to translate (shift) the mesh
+        for this filter
     bins : list of tuple
         A list of mesh indices for each filter bin, e.g. [(1, 1, 1), (2, 1, 1),
         ...]
@@ -846,7 +847,6 @@ class MeshFilter(Filter):
         mesh_obj = kwargs['meshes'][mesh_id]
         filter_id = int(group.name.split('/')[-1].lstrip('filter '))
 
-
         out = cls(mesh_obj, filter_id=filter_id)
 
         translation = group.get('translation')
@@ -972,7 +972,7 @@ class MeshFilter(Filter):
         return element
 
     @classmethod
-    def from_xml_element(cls, elem, **kwargs):
+    def from_xml_element(cls, elem: ET.Element, **kwargs) -> MeshFilter:
         mesh_id = int(get_text(elem, 'bins'))
         mesh_obj = kwargs['meshes'][mesh_id]
         filter_id = int(elem.get('id'))
diff --git a/openmc/mesh.py b/openmc/mesh.py
index 280f447fa..1f36524d2 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -1952,6 +1952,11 @@ class UnstructuredMesh(MeshBase):
         Name of the mesh
     length_multiplier: float
         Constant multiplier to apply to mesh coordinates
+    options : str, optional
+        Special options that control spatial search data structures used. This
+        is currently only used to set `parameters
+        <https://tinyurl.com/kdtree-params>`_ for MOAB's AdaptiveKDTree. If
+        None, OpenMC internally uses a default of "MAX_DEPTH=20;PLANE_SET=2;".
 
     Attributes
     ----------
@@ -1965,6 +1970,11 @@ class UnstructuredMesh(MeshBase):
         Multiplicative factor to apply to mesh coordinates
     library : {'moab', 'libmesh'}
         Mesh library used for the unstructured mesh tally
+    options : str
+        Special options that control spatial search data structures used. This
+        is currently only used to set `parameters
+        <https://tinyurl.com/kdtree-params>`_ for MOAB's AdaptiveKDTree. If
+        None, OpenMC internally uses a default of "MAX_DEPTH=20;PLANE_SET=2;".
     output : bool
         Indicates whether or not automatic tally output should be generated for
         this mesh
@@ -1998,7 +2008,8 @@ class UnstructuredMesh(MeshBase):
     _LINEAR_HEX = 1
 
     def __init__(self, filename: PathLike, library: str, mesh_id: Optional[int] = None,
-                 name: str = '', length_multiplier: float = 1.0):
+                 name: str = '', length_multiplier: float = 1.0,
+                 options: Optional[str] = None):
         super().__init__(mesh_id, name)
         self.filename = filename
         self._volumes = None
@@ -2008,6 +2019,7 @@ class UnstructuredMesh(MeshBase):
         self.library = library
         self._output = False
         self.length_multiplier = length_multiplier
+        self.options = options
         self._has_statepoint_data = False
 
     @property
@@ -2028,6 +2040,15 @@ class UnstructuredMesh(MeshBase):
         cv.check_value('Unstructured mesh library', lib, ('moab', 'libmesh'))
         self._library = lib
 
+    @property
+    def options(self) -> Optional[str]:
+        return self._options
+
+    @options.setter
+    def options(self, options: Optional[str]):
+        cv.check_type('options', options, (str, type(None)))
+        self._options = options
+
     @property
     @require_statepoint_data
     def size(self):
@@ -2139,6 +2160,8 @@ class UnstructuredMesh(MeshBase):
         if self.length_multiplier != 1.0:
             string += '{: <16}=\t{}\n'.format('\tLength multiplier',
                                               self.length_multiplier)
+        if self.options is not None:
+            string += '{: <16}=\t{}\n'.format('\tOptions', self.options)
         return string
 
     @property
@@ -2294,8 +2317,12 @@ class UnstructuredMesh(MeshBase):
         mesh_id = int(group.name.split('/')[-1].lstrip('mesh '))
         filename = group['filename'][()].decode()
         library = group['library'][()].decode()
+        if 'options' in group.attrs:
+            options = group.attrs['options'].decode()
+        else:
+            options = None
 
-        mesh = cls(filename=filename, library=library, mesh_id=mesh_id)
+        mesh = cls(filename=filename, library=library, mesh_id=mesh_id, options=options)
         mesh._has_statepoint_data = True
         vol_data = group['volumes'][()]
         mesh.volumes = np.reshape(vol_data, (vol_data.shape[0],))
@@ -2326,6 +2353,8 @@ class UnstructuredMesh(MeshBase):
         element.set("id", str(self._id))
         element.set("type", "unstructured")
         element.set("library", self._library)
+        if self.options is not None:
+            element.set('options', self.options)
         subelement = ET.SubElement(element, "filename")
         subelement.text = str(self.filename)
 
@@ -2352,8 +2381,9 @@ class UnstructuredMesh(MeshBase):
         filename = get_text(elem, 'filename')
         library = get_text(elem, 'library')
         length_multiplier = float(get_text(elem, 'length_multiplier', 1.0))
+        options = elem.get('options')
 
-        return cls(filename, library, mesh_id, '', length_multiplier)
+        return cls(filename, library, mesh_id, '', length_multiplier, options)
 
 
 def _read_meshes(elem):
diff --git a/src/mesh.cpp b/src/mesh.cpp
index c6e421b42..c57dd5dcc 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -44,6 +44,10 @@
 #include "libmesh/numeric_vector.h"
 #endif
 
+#ifdef DAGMC
+#include "moab/FileOptions.hpp"
+#endif
+
 namespace openmc {
 
 //==============================================================================
@@ -291,7 +295,6 @@ UnstructuredMesh::UnstructuredMesh(pugi::xml_node node) : Mesh(node)
   // check if a length unit multiplier was specified
   if (check_for_node(node, "length_multiplier")) {
     length_multiplier_ = std::stod(get_node_value(node, "length_multiplier"));
-    specified_length_multiplier_ = true;
   }
 
   // get the filename of the unstructured mesh to load
@@ -305,6 +308,10 @@ UnstructuredMesh::UnstructuredMesh(pugi::xml_node node) : Mesh(node)
       "No filename supplied for unstructured mesh with ID: {}", id_));
   }
 
+  if (check_for_node(node, "options")) {
+    options_ = get_node_value(node, "options");
+  }
+
   // check if mesh tally data should be written with
   // statepoint files
   if (check_for_node(node, "output")) {
@@ -367,8 +374,11 @@ void UnstructuredMesh::to_hdf5(hid_t group) const
   write_dataset(mesh_group, "type", mesh_type);
   write_dataset(mesh_group, "filename", filename_);
   write_dataset(mesh_group, "library", this->library());
+  if (!options_.empty()) {
+    write_attribute(mesh_group, "options", options_);
+  }
 
-  if (specified_length_multiplier_)
+  if (length_multiplier_ > 0.0)
     write_dataset(mesh_group, "length_multiplier", length_multiplier_);
 
   // write vertex coordinates
@@ -428,9 +438,6 @@ void UnstructuredMesh::to_hdf5(hid_t group) const
 void UnstructuredMesh::set_length_multiplier(double length_multiplier)
 {
   length_multiplier_ = length_multiplier;
-
-  if (length_multiplier_ != 1.0)
-    specified_length_multiplier_ = true;
 }
 
 ElementType UnstructuredMesh::element_type(int bin) const
@@ -2231,7 +2238,7 @@ void MOABMesh::initialize()
     fatal_error("Failed to add tetrahedra to an entity set.");
   }
 
-  if (specified_length_multiplier_) {
+  if (length_multiplier_ > 0.0) {
     // get the connectivity of all tets
     moab::Range adj;
     rval = mbi_->get_adjacencies(ehs_, 0, true, adj, moab::Interface::UNION);
@@ -2291,6 +2298,7 @@ void MOABMesh::build_kdtree(const moab::Range& all_tets)
 {
   moab::Range all_tris;
   int adj_dim = 2;
+  write_message("Getting tet adjacencies...", 7);
   moab::ErrorCode rval = mbi_->get_adjacencies(
     all_tets, adj_dim, true, all_tris, moab::Interface::UNION);
   if (rval != moab::MB_SUCCESS) {
@@ -2309,10 +2317,20 @@ void MOABMesh::build_kdtree(const moab::Range& all_tets)
   all_tets_and_tris.merge(all_tris);
 
   // create a kd-tree instance
+  write_message("Building adaptive k-d tree for tet mesh...", 7);
   kdtree_ = make_unique<moab::AdaptiveKDTree>(mbi_.get());
 
-  // build the tree
-  rval = kdtree_->build_tree(all_tets_and_tris, &kdtree_root_);
+  // Determine what options to use
+  std::ostringstream options_stream;
+  if (options_.empty()) {
+    options_stream << "MAX_DEPTH=20;PLANE_SET=2;";
+  } else {
+    options_stream << options_;
+  }
+  moab::FileOptions file_opts(options_stream.str().c_str());
+
+  // Build the k-d tree
+  rval = kdtree_->build_tree(all_tets_and_tris, &kdtree_root_, &file_opts);
   if (rval != moab::MB_SUCCESS) {
     fatal_error("Failed to construct KDTree for the "
                 "unstructured mesh file: " +
@@ -2899,7 +2917,7 @@ void LibMesh::initialize()
   // assuming that unstructured meshes used in OpenMC are 3D
   n_dimension_ = 3;
 
-  if (specified_length_multiplier_) {
+  if (length_multiplier_ > 0.0) {
     libMesh::MeshTools::Modification::scale(*m_, length_multiplier_);
   }
   // if OpenMC is managing the libMesh::MeshBase instance, prepare the mesh.
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true10.dat b/tests/regression_tests/unstructured_mesh/inputs_true10.dat
index ebc5548f5..81dfbdc52 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true10.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true10.dat
@@ -67,7 +67,7 @@
       <lower_left>-10.0 -10.0 -10.0</lower_left>
       <upper_right>10.0 10.0 10.0</upper_right>
     </mesh>
-    <mesh id="2" library="moab" type="unstructured">
+    <mesh id="2" library="moab" options="MAX_DEPTH=15;PLANE_SET=2" type="unstructured">
       <filename>test_mesh_tets_w_holes.e</filename>
     </mesh>
     <filter id="1" type="mesh">
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true11.dat b/tests/regression_tests/unstructured_mesh/inputs_true11.dat
index e30a5ccfc..b224a3ebc 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true11.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true11.dat
@@ -67,7 +67,7 @@
       <lower_left>-10.0 -10.0 -10.0</lower_left>
       <upper_right>10.0 10.0 10.0</upper_right>
     </mesh>
-    <mesh id="2" library="moab" type="unstructured">
+    <mesh id="2" library="moab" options="MAX_DEPTH=15;PLANE_SET=2" type="unstructured">
       <filename>test_mesh_tets.e</filename>
     </mesh>
     <filter id="1" type="mesh">
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true12.dat b/tests/regression_tests/unstructured_mesh/inputs_true12.dat
index a60b70eab..a18aee627 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true12.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true12.dat
@@ -67,7 +67,7 @@
       <lower_left>-10.0 -10.0 -10.0</lower_left>
       <upper_right>10.0 10.0 10.0</upper_right>
     </mesh>
-    <mesh id="2" library="moab" type="unstructured">
+    <mesh id="2" library="moab" options="MAX_DEPTH=15;PLANE_SET=2" type="unstructured">
       <filename>test_mesh_tets_w_holes.e</filename>
     </mesh>
     <filter id="1" type="mesh">
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true13.dat b/tests/regression_tests/unstructured_mesh/inputs_true13.dat
index 1b1aa19c3..0e9123c90 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true13.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true13.dat
@@ -67,7 +67,7 @@
       <lower_left>-10.0 -10.0 -10.0</lower_left>
       <upper_right>10.0 10.0 10.0</upper_right>
     </mesh>
-    <mesh id="2" library="moab" type="unstructured">
+    <mesh id="2" library="moab" options="MAX_DEPTH=15;PLANE_SET=2" type="unstructured">
       <filename>test_mesh_tets.e</filename>
     </mesh>
     <filter id="1" type="mesh">
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true14.dat b/tests/regression_tests/unstructured_mesh/inputs_true14.dat
index d07504b9d..9d4db4904 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true14.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true14.dat
@@ -67,7 +67,7 @@
       <lower_left>-10.0 -10.0 -10.0</lower_left>
       <upper_right>10.0 10.0 10.0</upper_right>
     </mesh>
-    <mesh id="2" library="moab" type="unstructured">
+    <mesh id="2" library="moab" options="MAX_DEPTH=15;PLANE_SET=2" type="unstructured">
       <filename>test_mesh_tets_w_holes.e</filename>
     </mesh>
     <filter id="1" type="mesh">
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true15.dat b/tests/regression_tests/unstructured_mesh/inputs_true15.dat
index 8cabbb38d..eab97b952 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true15.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true15.dat
@@ -67,7 +67,7 @@
       <lower_left>-10.0 -10.0 -10.0</lower_left>
       <upper_right>10.0 10.0 10.0</upper_right>
     </mesh>
-    <mesh id="2" library="moab" type="unstructured">
+    <mesh id="2" library="moab" options="MAX_DEPTH=15;PLANE_SET=2" type="unstructured">
       <filename>test_mesh_tets.e</filename>
     </mesh>
     <filter id="1" type="mesh">
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true8.dat b/tests/regression_tests/unstructured_mesh/inputs_true8.dat
index 5f14aa691..7994e1add 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true8.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true8.dat
@@ -67,7 +67,7 @@
       <lower_left>-10.0 -10.0 -10.0</lower_left>
       <upper_right>10.0 10.0 10.0</upper_right>
     </mesh>
-    <mesh id="2" library="moab" type="unstructured">
+    <mesh id="2" library="moab" options="MAX_DEPTH=15;PLANE_SET=2" type="unstructured">
       <filename>test_mesh_tets_w_holes.e</filename>
     </mesh>
     <filter id="1" type="mesh">
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true9.dat b/tests/regression_tests/unstructured_mesh/inputs_true9.dat
index 92354c75c..4fff123d7 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true9.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true9.dat
@@ -67,7 +67,7 @@
       <lower_left>-10.0 -10.0 -10.0</lower_left>
       <upper_right>10.0 10.0 10.0</upper_right>
     </mesh>
-    <mesh id="2" library="moab" type="unstructured">
+    <mesh id="2" library="moab" options="MAX_DEPTH=15;PLANE_SET=2" type="unstructured">
       <filename>test_mesh_tets.e</filename>
     </mesh>
     <filter id="1" type="mesh">
diff --git a/tests/regression_tests/unstructured_mesh/test.py b/tests/regression_tests/unstructured_mesh/test.py
index f3ba46e37..0082198dd 100644
--- a/tests/regression_tests/unstructured_mesh/test.py
+++ b/tests/regression_tests/unstructured_mesh/test.py
@@ -277,6 +277,8 @@ def test_unstructured_mesh_tets(model, test_opts):
 
     # add analagous unstructured mesh tally
     uscd_mesh = openmc.UnstructuredMesh(mesh_filename, test_opts['library'])
+    if test_opts['library'] == 'moab':
+        uscd_mesh.options = 'MAX_DEPTH=15;PLANE_SET=2'
     uscd_filter = openmc.MeshFilter(mesh=uscd_mesh)
 
     # create tallies

From e8ae7063afc20c5c33dbe49476819fb00b7e89d0 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 26 Apr 2024 17:54:38 -0500
Subject: [PATCH 2079/2654] Update CODEOWNERS file (#2974)

---
 CODEOWNERS | 21 ++++++++++++++++++---
 1 file changed, 18 insertions(+), 3 deletions(-)

diff --git a/CODEOWNERS b/CODEOWNERS
index 1b5130e0b..6d452e366 100644
--- a/CODEOWNERS
+++ b/CODEOWNERS
@@ -5,9 +5,9 @@ openmc/data/ @paulromano
 openmc/lib/ @paulromano
 
 # Depletion
-openmc/deplete/ @drewejohnson
-tests/regression_tests/deplete/ @drewejohnson
-tests/unit_tests/test_deplete_*.py @drewejohnson
+openmc/deplete/ @paulromano
+tests/regression_tests/deplete/ @paulromano
+tests/unit_tests/test_deplete_*.py @paulromano
 
 # MG-related functionality
 openmc/mgxs_library.py @nelsonag
@@ -26,6 +26,12 @@ src/dagmc.cpp @pshriwise
 tests/regression_tests/dagmc/ @pshriwise
 tests/unit_tests/dagmc/ @pshriwise
 
+# Weight windows
+openmc/weight_windows.py @pshriwise
+openmc/lib/weight_windows.py @pshriwise
+src/weight_windows.py @pshriwise
+tests/unit_tests/weightwindows/ @pshriwise
+
 # Photon transport
 openmc/data/BREMX.DAT @amandalund
 openmc/data/compton_profiles.h5 @amandalund
@@ -49,3 +55,12 @@ openmc/data/resonance_covariance.py @icmeyer
 
 # Docker
 Dockerfile @shimwell
+
+# Random ray
+src/random_ray/ @jtramm
+
+# NCrystal interface
+src/ncrystal_interface.cpp @marquezj
+
+# MCPL interface
+src/mcpl_interface.cpp @ebknudsen

From 5d2b352025e7dcfdb8772dc0415d6eef3000d335 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Mon, 29 Apr 2024 22:45:37 +0100
Subject: [PATCH 2080/2654] f strings instead of .format for string editing 
 (#2987)

---
 openmc/arithmetic.py               |  5 ++-
 openmc/cmfd.py                     | 17 +++++-----
 openmc/data/ace.py                 | 19 +++++------
 openmc/data/angle_energy.py        |  3 +-
 openmc/data/decay.py               | 11 +++----
 openmc/data/effective_dose/dose.py |  2 +-
 openmc/data/endf.py                |  3 +-
 openmc/data/energy_distribution.py |  3 +-
 openmc/data/library.py             |  3 +-
 openmc/data/multipole.py           | 53 ++++++++++++++----------------
 openmc/data/neutron.py             | 16 ++++-----
 openmc/data/njoy.py                | 36 ++++++++++----------
 openmc/data/photon.py              | 17 +++++-----
 openmc/data/product.py             |  4 +--
 openmc/data/reaction.py            | 31 +++++++++--------
 openmc/data/resonance.py           |  4 +--
 openmc/data/thermal.py             |  8 ++---
 openmc/deplete/abc.py              | 13 +++-----
 openmc/deplete/chain.py            | 20 +++++------
 openmc/deplete/coupled_operator.py |  2 +-
 openmc/deplete/nuclide.py          |  9 +++--
 openmc/lattice.py                  |  4 +--
 openmc/lib/__init__.py             |  2 +-
 openmc/lib/cell.py                 |  2 +-
 openmc/lib/core.py                 |  4 +--
 openmc/lib/error.py                |  2 +-
 openmc/lib/plot.py                 | 31 +++++++++--------
 openmc/lib/settings.py             |  2 +-
 openmc/material.py                 | 25 ++++++--------
 openmc/mgxs/library.py             |  4 +--
 openmc/mgxs/mdgxs.py               | 10 +++---
 openmc/mgxs/mgxs.py                | 31 +++++++++--------
 openmc/model/funcs.py              |  3 +-
 openmc/model/surface_composite.py  |  2 +-
 openmc/plots.py                    |  3 +-
 openmc/stats/univariate.py         |  6 ++--
 openmc/surface.py                  |  3 +-
 openmc/tallies.py                  | 13 ++++----
 38 files changed, 197 insertions(+), 229 deletions(-)

diff --git a/openmc/arithmetic.py b/openmc/arithmetic.py
index c66efe5b8..4520553da 100644
--- a/openmc/arithmetic.py
+++ b/openmc/arithmetic.py
@@ -54,8 +54,7 @@ class CrossScore:
         return str(other) == str(self)
 
     def __repr__(self):
-        return '({} {} {})'.format(self.left_score, self.binary_op,
-                                   self.right_score)
+        return f'({self.left_score} {self.binary_op} {self.right_score})'
 
     @property
     def left_score(self):
@@ -271,7 +270,7 @@ class CrossFilter:
     def type(self):
         left_type = self.left_filter.type
         right_type = self.right_filter.type
-        return '({} {} {})'.format(left_type, self.binary_op, right_type)
+        return f'({left_type} {self.binary_op} {right_type})'
 
     @property
     def bins(self):
diff --git a/openmc/cmfd.py b/openmc/cmfd.py
index 9b0b4ca83..eff6a151f 100644
--- a/openmc/cmfd.py
+++ b/openmc/cmfd.py
@@ -135,7 +135,7 @@ class CMFDMesh:
         return outstr
 
     def _get_repr(self, list_var, label):
-        outstr = "\t{:<11} = ".format(label)
+        outstr = f"\t{label:<11} = "
         if list(list_var):
             outstr += ", ".join(str(i) for i in list_var)
         return outstr
@@ -242,9 +242,9 @@ class CMFDMesh:
 
         check_length('CMFD mesh grid', grid, grid_length)
         for i in range(grid_length):
-            check_type('CMFD mesh {}-grid'.format(dims[i]), grid[i], Iterable,
+            check_type(f'CMFD mesh {dims[i]}-grid', grid[i], Iterable,
                        Real)
-            check_greater_than('CMFD mesh {}-grid length'.format(dims[i]),
+            check_greater_than(f'CMFD mesh {dims[i]}-grid length',
                                len(grid[i]), 1)
         self._grid = [np.array(g) for g in grid]
         self._display_mesh_warning('rectilinear', 'CMFD mesh grid')
@@ -612,7 +612,7 @@ class CMFDRun:
         for key, value in display.items():
             check_value('display key', key,
                         ('balance', 'entropy', 'dominance', 'source'))
-            check_type("display['{}']".format(key), value, bool)
+            check_type(f"display['{key}']", value, bool)
             self._display[key] = value
 
     @downscatter.setter
@@ -928,7 +928,7 @@ class CMFDRun:
             with h5py.File(filename, 'a') as f:
                 if 'cmfd' not in f:
                     if openmc.lib.settings.verbosity >= 5:
-                        print(' Writing CMFD data to {}...'.format(filename))
+                        print(f' Writing CMFD data to {filename}...')
                         sys.stdout.flush()
                     cmfd_group = f.create_group("cmfd")
                     cmfd_group.attrs['cmfd_on'] = self._cmfd_on
@@ -1134,12 +1134,12 @@ class CMFDRun:
         with h5py.File(filename, 'r') as f:
             if 'cmfd' not in f:
                 raise OpenMCError('Could not find CMFD parameters in ',
-                                  'file {}'.format(filename))
+                                  f'file {filename}')
             else:
                 # Overwrite CMFD values from statepoint
                 if (openmc.lib.master() and
                         openmc.lib.settings.verbosity >= 5):
-                    print(' Loading CMFD data from {}...'.format(filename))
+                    print(f' Loading CMFD data from {filename}...')
                     sys.stdout.flush()
                 cmfd_group = f['cmfd']
 
@@ -1409,8 +1409,7 @@ class CMFDRun:
                 # Get all data entries for particular row in matrix
                 data = matrix.data[matrix.indptr[row]:matrix.indptr[row+1]]
                 for i in range(len(cols)):
-                    fh.write('{:3d}, {:3d}, {:0.8f}\n'.format(
-                        row, cols[i], data[i]))
+                    fh.write(f'{row:3d}, {cols[i]:3d}, {data[i]:0.8f}\n')
 
         # Save matrix in scipy format
         sparse.save_npz(base_filename, matrix)
diff --git a/openmc/data/ace.py b/openmc/data/ace.py
index 7c348bd17..1247593a8 100644
--- a/openmc/data/ace.py
+++ b/openmc/data/ace.py
@@ -143,7 +143,7 @@ def ascii_to_binary(ascii_file, binary_file):
             # that XSS will start at the second record
             nxs = [int(x) for x in ' '.join(lines[idx + 6:idx + 8]).split()]
             jxs = [int(x) for x in ' '.join(lines[idx + 8:idx + 12]).split()]
-            binary_file.write(struct.pack(str('=16i32i{}x'.format(record_length - 500)),
+            binary_file.write(struct.pack(str(f'=16i32i{record_length - 500}x'),
                                           *(nxs + jxs)))
 
             # Read/write XSS array. Null bytes are added to form a complete record
@@ -152,8 +152,7 @@ def ascii_to_binary(ascii_file, binary_file):
             start = idx + _ACE_HEADER_SIZE
             xss = np.fromstring(' '.join(lines[start:start + n_lines]), sep=' ')
             extra_bytes = record_length - ((len(xss)*8 - 1) % record_length + 1)
-            binary_file.write(struct.pack(str('={}d{}x'.format(
-                nxs[0], extra_bytes)), *xss))
+            binary_file.write(struct.pack(str(f'={nxs[0]}d{extra_bytes}x'), *xss))
 
             # Advance to next table in file
             idx += _ACE_HEADER_SIZE + n_lines
@@ -184,8 +183,7 @@ def get_table(filename, name=None):
         if lib.tables:
             return lib.tables[0]
         else:
-            raise ValueError('Could not find ACE table with name: {}'
-                             .format(name))
+            raise ValueError(f'Could not find ACE table with name: {name}')
 
 
 # The beginning of an ASCII ACE file consists of 12 lines that include the name,
@@ -295,14 +293,14 @@ class Library(EqualityMixin):
 
             if verbose:
                 kelvin = round(temperature * EV_PER_MEV / K_BOLTZMANN)
-                print("Loading nuclide {} at {} K".format(name, kelvin))
+                print(f"Loading nuclide {name} at {kelvin} K")
 
             # Read JXS
             jxs = list(struct.unpack(str('=32i'), ace_file.read(128)))
 
             # Read XSS
             ace_file.seek(start_position + recl_length)
-            xss = list(struct.unpack(str('={}d'.format(length)),
+            xss = list(struct.unpack(str(f'={length}d'),
                                      ace_file.read(length*8)))
 
             # Insert zeros at beginning of NXS, JXS, and XSS arrays so that the
@@ -393,7 +391,7 @@ class Library(EqualityMixin):
 
             if verbose:
                 kelvin = round(temperature * EV_PER_MEV / K_BOLTZMANN)
-                print("Loading nuclide {} at {} K".format(name, kelvin))
+                print(f"Loading nuclide {name} at {kelvin} K")
 
             # Insert zeros at beginning of NXS, JXS, and XSS arrays so that the
             # indexing will be the same as Fortran. This makes it easier to
@@ -455,8 +453,7 @@ class TableType(enum.Enum):
         for member in cls:
             if suffix.endswith(member.value):
                 return member
-        raise ValueError("Suffix '{}' has no corresponding ACE table type."
-                         .format(suffix))
+        raise ValueError(f"Suffix '{suffix}' has no corresponding ACE table type.")
 
 
 class Table(EqualityMixin):
@@ -507,7 +504,7 @@ class Table(EqualityMixin):
         return TableType.from_suffix(xs[-1])
 
     def __repr__(self):
-        return "<ACE Table: {}>".format(self.name)
+        return f"<ACE Table: {self.name}>"
 
 
 def get_libraries_from_xsdir(path):
diff --git a/openmc/data/angle_energy.py b/openmc/data/angle_energy.py
index b8fde5478..71ca47587 100644
--- a/openmc/data/angle_energy.py
+++ b/openmc/data/angle_energy.py
@@ -112,7 +112,6 @@ class AngleEnergy(EqualityMixin, ABC):
             distribution = openmc.data.NBodyPhaseSpace.from_ace(
                 ace, idx, rx.q_value)
         else:
-            raise ValueError("Unsupported ACE secondary energy "
-                             "distribution law {}".format(law))
+            raise ValueError(f"Unsupported ACE secondary energy distribution law {law}")
 
         return distribution
diff --git a/openmc/data/decay.py b/openmc/data/decay.py
index 7b8993a28..be3dab77a 100644
--- a/openmc/data/decay.py
+++ b/openmc/data/decay.py
@@ -128,7 +128,7 @@ class FissionProductYields(EqualityMixin):
                     isomeric_state = int(values[4*j + 1])
                     name = ATOMIC_SYMBOL[Z] + str(A)
                     if isomeric_state > 0:
-                        name += '_m{}'.format(isomeric_state)
+                        name += f'_m{isomeric_state}'
                     yield_j = ufloat(values[4*j + 2], values[4*j + 3])
                     yields[name] = yield_j
 
@@ -257,9 +257,9 @@ class DecayMode(EqualityMixin):
                         Z += delta_Z
 
         if self._daughter_state > 0:
-            return '{}{}_m{}'.format(ATOMIC_SYMBOL[Z], A, self._daughter_state)
+            return f'{ATOMIC_SYMBOL[Z]}{A}_m{self._daughter_state}'
         else:
-            return '{}{}'.format(ATOMIC_SYMBOL[Z], A)
+            return f'{ATOMIC_SYMBOL[Z]}{A}'
 
     @property
     def parent(self):
@@ -350,10 +350,9 @@ class Decay(EqualityMixin):
         self.nuclide['mass_number'] = A
         self.nuclide['isomeric_state'] = metastable
         if metastable > 0:
-            self.nuclide['name'] = '{}{}_m{}'.format(ATOMIC_SYMBOL[Z], A,
-                                                     metastable)
+            self.nuclide['name'] = f'{ATOMIC_SYMBOL[Z]}{A}_m{metastable}'
         else:
-            self.nuclide['name'] = '{}{}'.format(ATOMIC_SYMBOL[Z], A)
+            self.nuclide['name'] = f'{ATOMIC_SYMBOL[Z]}{A}'
         self.nuclide['mass'] = items[1]  # AWR
         self.nuclide['excited_state'] = items[2]  # State of the original nuclide
         self.nuclide['stable'] = (items[4] == 1)  # Nucleus stability flag
diff --git a/openmc/data/effective_dose/dose.py b/openmc/data/effective_dose/dose.py
index eb8fe9f35..ae981ee7d 100644
--- a/openmc/data/effective_dose/dose.py
+++ b/openmc/data/effective_dose/dose.py
@@ -60,7 +60,7 @@ def dose_coefficients(particle, geometry='AP'):
     # Get all data for selected particle
     data = _DOSE_ICRP116.get(particle)
     if data is None:
-        raise ValueError("{} has no effective dose data".format(particle))
+        raise ValueError(f"{particle} has no effective dose data")
 
     # Determine index for selected geometry
     if particle in ('neutron', 'photon', 'proton', 'photon kerma'):
diff --git a/openmc/data/endf.py b/openmc/data/endf.py
index d526bc53f..73299723a 100644
--- a/openmc/data/endf.py
+++ b/openmc/data/endf.py
@@ -449,8 +449,7 @@ class Evaluation:
 
     def __repr__(self):
         name = self.target['zsymam'].replace(' ', '')
-        return '<{} for {} {}>'.format(self.info['sublibrary'], name,
-                                       self.info['library'])
+        return f"<{self.info['sublibrary']} for {name} {self.info['library']}>"
 
     def _read_header(self):
         file_obj = io.StringIO(self.section[1, 451])
diff --git a/openmc/data/energy_distribution.py b/openmc/data/energy_distribution.py
index b3566e999..069ab1b9b 100644
--- a/openmc/data/energy_distribution.py
+++ b/openmc/data/energy_distribution.py
@@ -53,8 +53,7 @@ class EnergyDistribution(EqualityMixin, ABC):
         elif energy_type == 'continuous':
             return ContinuousTabular.from_hdf5(group)
         else:
-            raise ValueError("Unknown energy distribution type: {}"
-                             .format(energy_type))
+            raise ValueError(f"Unknown energy distribution type: {energy_type}")
 
     @staticmethod
     def from_endf(file_obj, params):
diff --git a/openmc/data/library.py b/openmc/data/library.py
index de9de2744..a6ce1bbd3 100644
--- a/openmc/data/library.py
+++ b/openmc/data/library.py
@@ -93,8 +93,7 @@ class DataLibrary(list):
                 materials = list(h5file)
         else:
             raise ValueError(
-                "File type {} not supported by {}"
-                .format(path.name, self.__class__.__name__))
+                f"File type {path.name} not supported by {self.__class__.__name__}")
 
         library = {'path': str(path), 'type': filetype, 'materials': materials}
         self.append(library)
diff --git a/openmc/data/multipole.py b/openmc/data/multipole.py
index 5c9df39c2..dd14e0d19 100644
--- a/openmc/data/multipole.py
+++ b/openmc/data/multipole.py
@@ -194,9 +194,8 @@ def _vectfit_xs(energy, ce_xs, mts, rtol=1e-3, atol=1e-5, orders=None,
         test_xs_ref[i] = np.interp(test_energy, energy, ce_xs[i])
 
     if log:
-        print("  energy: {:.3e} to {:.3e} eV ({} points)".format(
-              energy[0], energy[-1], ne))
-        print("  error tolerance: rtol={}, atol={}".format(rtol, atol))
+        print(f"  energy: {energy[0]:.3e} to {energy[-1]:.3e} eV ({ne} points)")
+        print(f"  error tolerance: rtol={rtol}, atol={atol}")
 
     # transform xs (sigma) and energy (E) to f (sigma*E) and s (sqrt(E)) to be
     # compatible with the multipole representation
@@ -230,8 +229,8 @@ def _vectfit_xs(energy, ce_xs, mts, rtol=1e-3, atol=1e-5, orders=None,
         orders = list(range(lowest_order, highest_order + 1, 2))
 
     if log:
-        print("Found {} peaks".format(n_peaks))
-        print("Fitting orders from {} to {}".format(orders[0], orders[-1]))
+        print(f"Found {n_peaks} peaks")
+        print(f"Fitting orders from {orders[0]} to {orders[-1]}")
 
     # perform VF with increasing orders
     found_ideal = False
@@ -239,7 +238,7 @@ def _vectfit_xs(energy, ce_xs, mts, rtol=1e-3, atol=1e-5, orders=None,
     best_quality = best_ratio = -np.inf
     for i, order in enumerate(orders):
         if log:
-            print("Order={}({}/{})".format(order, i, len(orders)))
+            print(f"Order={order}({i}/{len(orders)})")
         # initial guessed poles
         poles_r = np.linspace(s[0], s[-1], order//2)
         poles = poles_r + poles_r*0.01j
@@ -249,7 +248,7 @@ def _vectfit_xs(energy, ce_xs, mts, rtol=1e-3, atol=1e-5, orders=None,
         # fitting iteration
         for i_vf in range(n_vf_iter):
             if log >= DETAILED_LOGGING:
-                print("VF iteration {}/{}".format(i_vf + 1, n_vf_iter))
+                print(f"VF iteration {i_vf + 1}/{n_vf_iter}")
 
             # call vf
             poles, residues, cf, f_fit, rms = vf.vectfit(f, s, poles, weight)
@@ -268,7 +267,7 @@ def _vectfit_xs(energy, ce_xs, mts, rtol=1e-3, atol=1e-5, orders=None,
             # re-calculate residues if poles changed
             if n_real_poles > 0:
                 if log >= DETAILED_LOGGING:
-                    print("  # real poles: {}".format(n_real_poles))
+                    print(f"  # real poles: {n_real_poles}")
                 new_poles, residues, cf, f_fit, rms = \
                       vf.vectfit(f, s, new_poles, weight, skip_pole=True)
 
@@ -296,10 +295,10 @@ def _vectfit_xs(energy, ce_xs, mts, rtol=1e-3, atol=1e-5, orders=None,
                 quality = -np.inf
 
             if log >= DETAILED_LOGGING:
-                print("  # poles: {}".format(new_poles.size))
-                print("  Max relative error: {:.3f}%".format(maxre*100))
-                print("  Satisfaction: {:.1f}%, {:.1f}%".format(ratio*100, ratio2*100))
-                print("  Quality: {:.2f}".format(quality))
+                print(f"  # poles: {new_poles.size}")
+                print(f"  Max relative error: {maxre * 100:.3f}%")
+                print(f"  Satisfaction: {ratio * 100:.1f}%, {ratio2 * 100:.1f}%")
+                print(f"  Quality: {quality:.2f}")
 
             if quality > best_quality:
                 if log >= DETAILED_LOGGING:
@@ -354,7 +353,7 @@ def _vectfit_xs(energy, ce_xs, mts, rtol=1e-3, atol=1e-5, orders=None,
     mp_residues = np.concatenate((best_residues[:, real_idx],
                                   best_residues[:, conj_idx]*2), axis=1)/1j
     if log:
-        print("Final number of poles: {}".format(mp_poles.size))
+        print(f"Final number of poles: {mp_poles.size}")
 
     if path_out:
         if not os.path.exists(path_out):
@@ -378,14 +377,14 @@ def _vectfit_xs(energy, ce_xs, mts, rtol=1e-3, atol=1e-5, orders=None,
             ax2.set_ylabel('relative error', color='r')
             ax2.tick_params('y', colors='r')
 
-            plt.title("MT {} vector fitted with {} poles".format(mt, mp_poles.size))
+            plt.title(f"MT {mt} vector fitted with {mp_poles.size} poles")
             fig.tight_layout()
             fig_file = os.path.join(path_out, "{:.0f}-{:.0f}_MT{}.png".format(
                                     energy[0], energy[-1], mt))
             plt.savefig(fig_file)
             plt.close()
             if log:
-                print("Saved figure: {}".format(fig_file))
+                print(f"Saved figure: {fig_file}")
 
     return (mp_poles, mp_residues)
 
@@ -423,7 +422,7 @@ def vectfit_nuclide(endf_file, njoy_error=5e-4, vf_pieces=None,
 
     # make 0K ACE data using njoy
     if log:
-        print("Running NJOY to get 0K point-wise data (error={})...".format(njoy_error))
+        print(f"Running NJOY to get 0K point-wise data (error={njoy_error})...")
 
     nuc_ce = IncidentNeutron.from_njoy(endf_file, temperatures=[0.0],
              error=njoy_error, broadr=False, heatr=False, purr=False)
@@ -477,9 +476,8 @@ def vectfit_nuclide(endf_file, njoy_error=5e-4, vf_pieces=None,
         mts = [2, 27]
 
     if log:
-        print("  MTs: {}".format(mts))
-        print("  Energy range: {:.3e} to {:.3e} eV ({} points)".format(
-              E_min, E_max, n_points))
+        print(f"  MTs: {mts}")
+        print(f"  Energy range: {E_min:.3e} to {E_max:.3e} eV ({n_points} points)")
 
     # ======================================================================
     # PERFORM VECTOR FITTING
@@ -500,7 +498,7 @@ def vectfit_nuclide(endf_file, njoy_error=5e-4, vf_pieces=None,
     # VF piece by piece
     for i_piece in range(vf_pieces):
         if log:
-            print("Vector fitting piece {}/{}...".format(i_piece + 1, vf_pieces))
+            print(f"Vector fitting piece {i_piece + 1}/{vf_pieces}...")
         # start E of this piece
         e_bound = (sqrt(E_min) + piece_width*(i_piece-0.5))**2
         if i_piece == 0 or sqrt(alpha*e_bound) < 4.0:
@@ -534,12 +532,12 @@ def vectfit_nuclide(endf_file, njoy_error=5e-4, vf_pieces=None,
         if not os.path.exists(path_out):
             os.makedirs(path_out)
         if not mp_filename:
-            mp_filename = "{}_mp.pickle".format(nuc_ce.name)
+            mp_filename = f"{nuc_ce.name}_mp.pickle"
         mp_filename = os.path.join(path_out, mp_filename)
         with open(mp_filename, 'wb') as f:
             pickle.dump(mp_data, f)
         if log:
-            print("Dumped multipole data to file: {}".format(mp_filename))
+            print(f"Dumped multipole data to file: {mp_filename}")
 
     return mp_data
 
@@ -605,9 +603,8 @@ def _windowing(mp_data, n_cf, rtol=1e-3, atol=1e-5, n_win=None, spacing=None,
 
     if log:
         print("Windowing:")
-        print("  config: # windows={}, spacing={}, CF order={}".format(
-               n_win, spacing, n_cf))
-        print("  error tolerance: rtol={}, atol={}".format(rtol, atol))
+        print(f"  config: # windows={n_win}, spacing={spacing}, CF order={n_cf}")
+        print(f"  error tolerance: rtol={rtol}, atol={atol}")
 
     # sort poles (and residues) by the real component of the pole
     for ip in range(n_pieces):
@@ -623,7 +620,7 @@ def _windowing(mp_data, n_cf, rtol=1e-3, atol=1e-5, n_win=None, spacing=None,
     win_data = []
     for iw in range(n_win):
         if log >= DETAILED_LOGGING:
-            print("Processing window {}/{}...".format(iw + 1, n_win))
+            print(f"Processing window {iw + 1}/{n_win}...")
 
         # inner window boundaries
         inbegin = sqrt(E_min) + spacing * iw
@@ -658,7 +655,7 @@ def _windowing(mp_data, n_cf, rtol=1e-3, atol=1e-5, n_win=None, spacing=None,
         lp = rp = center_pole_ind
         while True:
             if log >= DETAILED_LOGGING:
-                print("Trying poles {} to {}".format(lp, rp))
+                print(f"Trying poles {lp} to {rp}")
 
             # calculate the cross sections contributed by the windowed poles
             if rp > lp:
@@ -1108,7 +1105,7 @@ class WindowedMultipole(EqualityMixin):
         for n_w in np.unique(np.linspace(n_win_min, n_win_max, 20, dtype=int)):
             for n_cf in range(10, 1, -1):
                 if log:
-                    print("Testing N_win={} N_cf={}".format(n_w, n_cf))
+                    print(f"Testing N_win={n_w} N_cf={n_cf}")
 
                 # update arguments dictionary
                 kwargs.update(n_win=n_w, n_cf=n_cf)
diff --git a/openmc/data/neutron.py b/openmc/data/neutron.py
index 94833d4b3..894be1871 100644
--- a/openmc/data/neutron.py
+++ b/openmc/data/neutron.py
@@ -122,10 +122,10 @@ class IncidentNeutron(EqualityMixin):
             if len(mts) > 0:
                 return self._get_redundant_reaction(mt, mts)
             else:
-                raise KeyError('No reaction with MT={}.'.format(mt))
+                raise KeyError(f'No reaction with MT={mt}.')
 
     def __repr__(self):
-        return "<IncidentNeutron: {}>".format(self.name)
+        return f"<IncidentNeutron: {self.name}>"
 
     def __iter__(self):
         return iter(self.reactions.values())
@@ -231,7 +231,7 @@ class IncidentNeutron(EqualityMixin):
 
     @property
     def temperatures(self):
-        return ["{}K".format(int(round(kT / K_BOLTZMANN))) for kT in self.kTs]
+        return [f"{int(round(kT / K_BOLTZMANN))}K" for kT in self.kTs]
 
     @property
     def atomic_symbol(self):
@@ -261,7 +261,7 @@ class IncidentNeutron(EqualityMixin):
         # Check if temprature already exists
         strT = data.temperatures[0]
         if strT in self.temperatures:
-            warn('Cross sections at T={} already exist.'.format(strT))
+            warn(f'Cross sections at T={strT} already exist.')
             return
 
         # Check that name matches
@@ -461,7 +461,7 @@ class IncidentNeutron(EqualityMixin):
                     if not (photon_rx or rx.mt in keep_mts):
                         continue
 
-                rx_group = rxs_group.create_group('reaction_{:03}'.format(rx.mt))
+                rx_group = rxs_group.create_group(f'reaction_{rx.mt:03}')
                 rx.to_hdf5(rx_group)
 
                 # Write total nu data if available
@@ -593,7 +593,7 @@ class IncidentNeutron(EqualityMixin):
         zaid, xs = ace.name.split('.')
         if not xs.endswith('c'):
             raise TypeError(
-                "{} is not a continuous-energy neutron ACE table.".format(ace))
+                f"{ace} is not a continuous-energy neutron ACE table.")
         name, element, Z, mass_number, metastable = \
             get_metadata(int(zaid), metastable_scheme)
 
@@ -732,9 +732,9 @@ class IncidentNeutron(EqualityMixin):
         # Determine name
         element = ATOMIC_SYMBOL[atomic_number]
         if metastable > 0:
-            name = '{}{}_m{}'.format(element, mass_number, metastable)
+            name = f'{element}{mass_number}_m{metastable}'
         else:
-            name = '{}{}'.format(element, mass_number)
+            name = f'{element}{mass_number}'
 
         # Instantiate incident neutron data
         data = cls(name, atomic_number, mass_number, metastable,
diff --git a/openmc/data/njoy.py b/openmc/data/njoy.py
index 9c2055cc4..c1dcbab17 100644
--- a/openmc/data/njoy.py
+++ b/openmc/data/njoy.py
@@ -188,7 +188,7 @@ def run(commands, tapein, tapeout, input_filename=None, stdout=False,
     with tempfile.TemporaryDirectory() as tmpdir:
         # Copy evaluations to appropriates 'tapes'
         for tape_num, filename in tapein.items():
-            tmpfilename = os.path.join(tmpdir, 'tape{}'.format(tape_num))
+            tmpfilename = os.path.join(tmpdir, f'tape{tape_num}')
             shutil.copy(str(filename), tmpfilename)
 
         # Start up NJOY process
@@ -216,7 +216,7 @@ def run(commands, tapein, tapeout, input_filename=None, stdout=False,
 
         # Copy output files back to original directory
         for tape_num, filename in tapeout.items():
-            tmpfilename = os.path.join(tmpdir, 'tape{}'.format(tape_num))
+            tmpfilename = os.path.join(tmpdir, f'tape{tape_num}')
             if os.path.isfile(tmpfilename):
                 shutil.move(tmpfilename, str(filename))
 
@@ -317,7 +317,7 @@ def make_ace(filename, temperatures=None, acer=True, xsdir=None,
     else:
         output_dir = Path(output_dir)
         if not output_dir.is_dir():
-            raise IOError("{} is not a directory".format(output_dir))
+            raise IOError(f"{output_dir} is not a directory")
 
     ev = evaluation if evaluation is not None else endf.Evaluation(filename)
     mat = ev.material
@@ -389,12 +389,12 @@ def make_ace(filename, temperatures=None, acer=True, xsdir=None,
             # Extend input with an ACER run for each temperature
             nace = nacer_in + 1 + 2*i
             ndir = nace + 1
-            ext = '{:02}'.format(i + 1)
+            ext = f'{i + 1:02}'
             commands += _TEMPLATE_ACER.format(**locals())
 
             # Indicate tapes to save for each ACER run
-            tapeout[nace] = output_dir / "ace_{:.1f}".format(temperature)
-            tapeout[ndir] = output_dir / "xsdir_{:.1f}".format(temperature)
+            tapeout[nace] = output_dir / f"ace_{temperature:.1f}"
+            tapeout[ndir] = output_dir / f"xsdir_{temperature:.1f}"
     commands += 'stop\n'
     run(commands, tapein, tapeout, **kwargs)
 
@@ -404,7 +404,7 @@ def make_ace(filename, temperatures=None, acer=True, xsdir=None,
         with ace.open('w') as ace_file, xsdir.open('w') as xsdir_file:
             for temperature in temperatures:
                 # Get contents of ACE file
-                text = (output_dir / "ace_{:.1f}".format(temperature)).read_text()
+                text = (output_dir / f"ace_{temperature:.1f}").read_text()
 
                 # If the target is metastable, make sure that ZAID in the ACE
                 # file reflects this by adding 400
@@ -417,13 +417,13 @@ def make_ace(filename, temperatures=None, acer=True, xsdir=None,
                 ace_file.write(text)
 
                 # Concatenate into destination xsdir file
-                xsdir_in = output_dir / "xsdir_{:.1f}".format(temperature)
+                xsdir_in = output_dir / f"xsdir_{temperature:.1f}"
                 xsdir_file.write(xsdir_in.read_text())
 
         # Remove ACE/xsdir files for each temperature
         for temperature in temperatures:
-            (output_dir / "ace_{:.1f}".format(temperature)).unlink()
-            (output_dir / "xsdir_{:.1f}".format(temperature)).unlink()
+            (output_dir / f"ace_{temperature:.1f}").unlink()
+            (output_dir / f"xsdir_{temperature:.1f}").unlink()
 
 
 def make_ace_thermal(filename, filename_thermal, temperatures=None,
@@ -480,7 +480,7 @@ def make_ace_thermal(filename, filename_thermal, temperatures=None,
     else:
         output_dir = Path(output_dir)
         if not output_dir.is_dir():
-            raise IOError("{} is not a directory".format(output_dir))
+            raise IOError(f"{output_dir} is not a directory")
 
     ev = evaluation if evaluation is not None else endf.Evaluation(filename)
     mat = ev.material
@@ -581,12 +581,12 @@ def make_ace_thermal(filename, filename_thermal, temperatures=None,
         # Extend input with an ACER run for each temperature
         nace = nthermal_acer_in + 1 + 2*i
         ndir = nace + 1
-        ext = '{:02}'.format(i + 1)
+        ext = f'{i + 1:02}'
         commands += _THERMAL_TEMPLATE_ACER.format(**locals())
 
         # Indicate tapes to save for each ACER run
-        tapeout[nace] = output_dir / "ace_{:.1f}".format(temperature)
-        tapeout[ndir] = output_dir / "xsdir_{:.1f}".format(temperature)
+        tapeout[nace] = output_dir / f"ace_{temperature:.1f}"
+        tapeout[ndir] = output_dir / f"xsdir_{temperature:.1f}"
     commands += 'stop\n'
     run(commands, tapein, tapeout, **kwargs)
 
@@ -595,13 +595,13 @@ def make_ace_thermal(filename, filename_thermal, temperatures=None,
     with ace.open('w') as ace_file, xsdir.open('w') as xsdir_file:
         # Concatenate ACE and xsdir files together
         for temperature in temperatures:
-            ace_in = output_dir / "ace_{:.1f}".format(temperature)
+            ace_in = output_dir / f"ace_{temperature:.1f}"
             ace_file.write(ace_in.read_text())
 
-            xsdir_in = output_dir / "xsdir_{:.1f}".format(temperature)
+            xsdir_in = output_dir / f"xsdir_{temperature:.1f}"
             xsdir_file.write(xsdir_in.read_text())
 
     # Remove ACE/xsdir files for each temperature
     for temperature in temperatures:
-        (output_dir / "ace_{:.1f}".format(temperature)).unlink()
-        (output_dir / "xsdir_{:.1f}".format(temperature)).unlink()
+        (output_dir / f"ace_{temperature:.1f}").unlink()
+        (output_dir / f"xsdir_{temperature:.1f}").unlink()
diff --git a/openmc/data/photon.py b/openmc/data/photon.py
index ba4bf5c88..c9d51f062 100644
--- a/openmc/data/photon.py
+++ b/openmc/data/photon.py
@@ -451,10 +451,10 @@ class IncidentPhoton(EqualityMixin):
         if mt in self.reactions:
             return self.reactions[mt]
         else:
-            raise KeyError('No reaction with MT={}.'.format(mt))
+            raise KeyError(f'No reaction with MT={mt}.')
 
     def __repr__(self):
-        return "<IncidentPhoton: {}>".format(self.name)
+        return f"<IncidentPhoton: {self.name}>"
 
     def __iter__(self):
         return iter(self.reactions.values())
@@ -508,7 +508,7 @@ class IncidentPhoton(EqualityMixin):
         # Get atomic number based on name of ACE table
         zaid, xs = ace.name.split('.')
         if not xs.endswith('p'):
-            raise TypeError("{} is not a photoatomic transport ACE table.".format(ace))
+            raise TypeError(f"{ace} is not a photoatomic transport ACE table.")
         Z = get_metadata(int(zaid))[2]
 
         # Read each reaction
@@ -638,7 +638,7 @@ class IncidentPhoton(EqualityMixin):
             with h5py.File(filename, 'r') as f:
                 _COMPTON_PROFILES['pz'] = f['pz'][()]
                 for i in range(1, 101):
-                    group = f['{:03}'.format(i)]
+                    group = f[f'{i:03}']
                     num_electrons = group['num_electrons'][()]
                     binding_energy = group['binding_energy'][()]*EV_PER_MEV
                     J = group['J'][()]
@@ -713,7 +713,7 @@ class IncidentPhoton(EqualityMixin):
 
         # Check for necessary reactions
         for mt in (502, 504, 522):
-            assert mt in data, "Reaction {} not found".format(mt)
+            assert mt in data, f"Reaction {mt} not found"
 
         # Read atomic relaxation
         data.atomic_relaxation = AtomicRelaxation.from_hdf5(group['subshells'])
@@ -836,7 +836,7 @@ class IncidentPhoton(EqualityMixin):
             filename = os.path.join(os.path.dirname(__file__), 'density_effect.h5')
             with h5py.File(filename, 'r') as f:
                 for i in range(1, 101):
-                    group = f['{:03}'.format(i)]
+                    group = f[f'{i:03}']
                     _BREMSSTRAHLUNG[i] = {
                         'I': group.attrs['I'],
                         'num_electrons': group['num_electrons'][()],
@@ -924,10 +924,9 @@ class PhotonReaction(EqualityMixin):
 
     def __repr__(self):
         if self.mt in _REACTION_NAME:
-            return "<Photon Reaction: MT={} {}>".format(
-                self.mt, _REACTION_NAME[self.mt][0])
+            return f"<Photon Reaction: MT={self.mt} {_REACTION_NAME[self.mt][0]}>"
         else:
-            return "<Photon Reaction: MT={}>".format(self.mt)
+            return f"<Photon Reaction: MT={self.mt}>"
 
     @property
     def anomalous_real(self):
diff --git a/openmc/data/product.py b/openmc/data/product.py
index 4a9b07aee..88c83b81f 100644
--- a/openmc/data/product.py
+++ b/openmc/data/product.py
@@ -135,7 +135,7 @@ class Product(EqualityMixin):
         # Write applicability/distribution
         group.attrs['n_distribution'] = len(self.distribution)
         for i, d in enumerate(self.distribution):
-            dgroup = group.create_group('distribution_{}'.format(i))
+            dgroup = group.create_group(f'distribution_{i}')
             if self.applicability:
                 self.applicability[i].to_hdf5(dgroup, 'applicability')
             d.to_hdf5(dgroup)
@@ -170,7 +170,7 @@ class Product(EqualityMixin):
         distribution = []
         applicability = []
         for i in range(n_distribution):
-            dgroup = group['distribution_{}'.format(i)]
+            dgroup = group[f'distribution_{i}']
             if 'applicability' in dgroup:
                 applicability.append(Tabulated1D.from_hdf5(
                     dgroup['applicability']))
diff --git a/openmc/data/reaction.py b/openmc/data/reaction.py
index 8ba478782..8f90d2de4 100644
--- a/openmc/data/reaction.py
+++ b/openmc/data/reaction.py
@@ -56,13 +56,13 @@ REACTION_NAME = {1: '(n,total)', 2: '(n,elastic)', 4: '(n,level)',
                  301: 'heating', 444: 'damage-energy',
                  649: '(n,pc)', 699: '(n,dc)', 749: '(n,tc)', 799: '(n,3Hec)',
                  849: '(n,ac)', 891: '(n,2nc)', 901: 'heating-local'}
-REACTION_NAME.update({i: '(n,n{})'.format(i - 50) for i in range(51, 91)})
-REACTION_NAME.update({i: '(n,p{})'.format(i - 600) for i in range(600, 649)})
-REACTION_NAME.update({i: '(n,d{})'.format(i - 650) for i in range(650, 699)})
-REACTION_NAME.update({i: '(n,t{})'.format(i - 700) for i in range(700, 749)})
-REACTION_NAME.update({i: '(n,3He{})'.format(i - 750) for i in range(750, 799)})
-REACTION_NAME.update({i: '(n,a{})'.format(i - 800) for i in range(800, 849)})
-REACTION_NAME.update({i: '(n,2n{})'.format(i - 875) for i in range(875, 891)})
+REACTION_NAME.update({i: f'(n,n{i - 50})' for i in range(51, 91)})
+REACTION_NAME.update({i: f'(n,p{i - 600})' for i in range(600, 649)})
+REACTION_NAME.update({i: f'(n,d{i - 650})' for i in range(650, 699)})
+REACTION_NAME.update({i: f'(n,t{i - 700})' for i in range(700, 749)})
+REACTION_NAME.update({i: f'(n,3He{i - 750})' for i in range(750, 799)})
+REACTION_NAME.update({i: f'(n,a{i - 800})' for i in range(800, 849)})
+REACTION_NAME.update({i: f'(n,2n{i - 875})' for i in range(875, 891)})
 
 REACTION_MT = {name: mt for mt, name in REACTION_NAME.items()}
 REACTION_MT['fission'] = 18
@@ -119,7 +119,7 @@ def _get_products(ev, mt):
             p = Product('electron')
         else:
             Z, A = divmod(za, 1000)
-            p = Product('{}{}'.format(ATOMIC_SYMBOL[Z], A))
+            p = Product(f'{ATOMIC_SYMBOL[Z]}{A}')
 
         p.yield_ = yield_
 
@@ -557,9 +557,9 @@ def _get_activation_products(ev, rx):
             # Get GNDS name for product
             symbol = ATOMIC_SYMBOL[Z]
             if excited_state > 0:
-                name = '{}{}_e{}'.format(symbol, A, excited_state)
+                name = f'{symbol}{A}_e{excited_state}'
             else:
-                name = '{}{}'.format(symbol, A)
+                name = f'{symbol}{A}'
 
             p = Product(name)
             if mf == 9:
@@ -656,8 +656,7 @@ def _get_photon_products_ace(ace, rx):
             photon.yield_ = Tabulated1D(energy, yield_)
 
         else:
-            raise ValueError("MFTYPE must be 12, 13, 16. Got {0}".format(
-                mftype))
+            raise ValueError(f"MFTYPE must be 12, 13, 16. Got {mftype}")
 
         # ==================================================================
         # Photon energy distribution
@@ -846,9 +845,9 @@ class Reaction(EqualityMixin):
 
     def __repr__(self):
         if self.mt in REACTION_NAME:
-            return "<Reaction: MT={} {}>".format(self.mt, REACTION_NAME[self.mt])
+            return f"<Reaction: MT={self.mt} {REACTION_NAME[self.mt]}>"
         else:
-            return "<Reaction: MT={}>".format(self.mt)
+            return f"<Reaction: MT={self.mt}>"
 
     @property
     def center_of_mass(self):
@@ -933,7 +932,7 @@ class Reaction(EqualityMixin):
                 threshold_idx = getattr(self.xs[T], '_threshold_idx', 0)
                 dset.attrs['threshold_idx'] = threshold_idx
         for i, p in enumerate(self.products):
-            pgroup = group.create_group('product_{}'.format(i))
+            pgroup = group.create_group(f'product_{i}')
             p.to_hdf5(pgroup)
 
     @classmethod
@@ -985,7 +984,7 @@ class Reaction(EqualityMixin):
 
         # Read reaction products
         for i in range(n_product):
-            pgroup = group['product_{}'.format(i)]
+            pgroup = group[f'product_{i}']
             rx.products.append(Product.from_hdf5(pgroup))
 
         return rx
diff --git a/openmc/data/resonance.py b/openmc/data/resonance.py
index 340d73a18..31e230df5 100644
--- a/openmc/data/resonance.py
+++ b/openmc/data/resonance.py
@@ -830,7 +830,7 @@ class RMatrixLimited(ResonanceRange):
                 elif mt == 102:
                     columns.append('captureWidth')
                 else:
-                    columns.append('width (MT={})'.format(mt))
+                    columns.append(f'width (MT={mt})')
 
             # Create Pandas dataframe with resonance parameters
             parameters = pd.DataFrame.from_records(records, columns=columns)
@@ -896,7 +896,7 @@ class SpinGroup:
         self.parameters = parameters
 
     def __repr__(self):
-        return '<SpinGroup: Jpi={}{}>'.format(self.spin, self.parity)
+        return f'<SpinGroup: Jpi={self.spin}{self.parity}>'
 
 
 class Unresolved(ResonanceRange):
diff --git a/openmc/data/thermal.py b/openmc/data/thermal.py
index f8dd43ed9..f5841d9c9 100644
--- a/openmc/data/thermal.py
+++ b/openmc/data/thermal.py
@@ -90,7 +90,7 @@ _THERMAL_NAMES = {
 def _temperature_str(T):
     # round() normally returns an int when called with a single argument, but
     # numpy floats overload rounding to return another float
-    return "{}K".format(int(round(T)))
+    return f"{int(round(T))}K"
 
 
 def get_thermal_name(name):
@@ -439,7 +439,7 @@ class ThermalScattering(EqualityMixin):
 
     def __repr__(self):
         if hasattr(self, 'name'):
-            return "<Thermal Scattering Data: {}>".format(self.name)
+            return f"<Thermal Scattering Data: {self.name}>"
         else:
             return "<Thermal Scattering Data>"
 
@@ -506,7 +506,7 @@ class ThermalScattering(EqualityMixin):
         # Check if temprature already exists
         strT = data.temperatures[0]
         if strT in self.temperatures:
-            warn('S(a,b) data at T={} already exists.'.format(strT))
+            warn(f'S(a,b) data at T={strT} already exists.')
             return
 
         # Check that name matches
@@ -614,7 +614,7 @@ class ThermalScattering(EqualityMixin):
         # Get new name that is GND-consistent
         ace_name, xs = ace.name.split('.')
         if not xs.endswith('t'):
-            raise TypeError("{} is not a thermal scattering ACE table.".format(ace))
+            raise TypeError(f"{ace} is not a thermal scattering ACE table.")
         if name is None:
             name = get_thermal_name(ace_name)
 
diff --git a/openmc/deplete/abc.py b/openmc/deplete/abc.py
index fa07ad12a..49bb3e6c7 100644
--- a/openmc/deplete/abc.py
+++ b/openmc/deplete/abc.py
@@ -647,7 +647,7 @@ class Integrator(ABC):
                 days = watt_days_per_kg * kilograms / rate
                 seconds.append(days*_SECONDS_PER_DAY)
             else:
-                raise ValueError("Invalid timestep unit '{}'".format(unit))
+                raise ValueError(f"Invalid timestep unit '{unit}'")
 
         self.timesteps = np.asarray(seconds)
         self.source_rates = np.asarray(source_rates)
@@ -664,8 +664,7 @@ class Integrator(ABC):
                 self._solver = CRAM16
             else:
                 raise ValueError(
-                    "Solver {} not understood. Expected 'cram48' or "
-                    "'cram16'".format(solver))
+                    f"Solver {solver} not understood. Expected 'cram48' or 'cram16'")
         else:
             self.solver = solver
 
@@ -677,14 +676,13 @@ class Integrator(ABC):
     def solver(self, func):
         if not isinstance(func, Callable):
             raise TypeError(
-                "Solver must be callable, not {}".format(type(func)))
+                f"Solver must be callable, not {type(func)}")
         try:
             sig = signature(func)
         except ValueError:
             # Guard against callables that aren't introspectable, e.g.
             # fortran functions wrapped by F2PY
-            warn("Could not determine arguments to {}. Proceeding "
-                 "anyways".format(func))
+            warn(f"Could not determine arguments to {func}. Proceeding anyways")
             self._solver = func
             return
 
@@ -696,8 +694,7 @@ class Integrator(ABC):
         for ix, param in enumerate(sig.parameters.values()):
             if param.kind in {param.KEYWORD_ONLY, param.VAR_KEYWORD}:
                 raise ValueError(
-                    "Keyword arguments like {} at position {} are not "
-                    "allowed".format(ix, param))
+                    f"Keyword arguments like {ix} at position {param} are not allowed")
 
         self._solver = func
 
diff --git a/openmc/deplete/chain.py b/openmc/deplete/chain.py
index e15b127d0..1d3834980 100644
--- a/openmc/deplete/chain.py
+++ b/openmc/deplete/chain.py
@@ -141,7 +141,7 @@ def replace_missing(product, decay_data):
 
     # First check if ground state is available
     if state:
-        product = '{}{}'.format(symbol, A)
+        product = f'{symbol}{A}'
 
     # Find isotope with longest half-life
     half_life = 0.0
@@ -172,7 +172,7 @@ def replace_missing(product, decay_data):
                 Z += 1
             else:
                 Z -= 1
-        product = '{}{}'.format(openmc.data.ATOMIC_SYMBOL[Z], A)
+        product = f'{openmc.data.ATOMIC_SYMBOL[Z]}{A}'
 
     return product
 
@@ -417,7 +417,7 @@ class Chain:
                     if mts & reactions_available:
                         A = data.nuclide['mass_number'] + delta_A
                         Z = data.nuclide['atomic_number'] + delta_Z
-                        daughter = '{}{}'.format(openmc.data.ATOMIC_SYMBOL[Z], A)
+                        daughter = f'{openmc.data.ATOMIC_SYMBOL[Z]}{A}'
 
                         if daughter not in decay_data:
                             daughter = replace_missing(daughter, decay_data)
@@ -483,7 +483,7 @@ class Chain:
         if missing_daughter:
             print('The following decay modes have daughters with no decay data:')
             for mode in missing_daughter:
-                print('  {}'.format(mode))
+                print(f'  {mode}')
             print('')
 
         if missing_rx_product:
@@ -495,7 +495,7 @@ class Chain:
         if missing_fpy:
             print('The following fissionable nuclides have no fission product yields:')
             for parent, replacement in missing_fpy:
-                print('  {}, replaced with {}'.format(parent, replacement))
+                print(f'  {parent}, replaced with {replacement}')
             print('')
 
         if missing_fp:
@@ -873,8 +873,7 @@ class Chain:
             if len(indexes) == 0:
                 if strict:
                     raise AttributeError(
-                        "Nuclide {} does not have {} reactions".format(
-                            parent, reaction))
+                        f"Nuclide {parent} does not have {reaction} reactions")
                 missing_reaction.add(parent)
                 continue
 
@@ -896,8 +895,7 @@ class Chain:
 
         if len(rxn_ix_map) == 0:
             raise IndexError(
-                "No {} reactions found in this {}".format(
-                    reaction, self.__class__.__name__))
+                f"No {reaction} reactions found in this {self.__class__.__name__}")
 
         if len(missing_parents) > 0:
             warn("The following nuclides were not found in {}: {}".format(
@@ -908,14 +906,14 @@ class Chain:
                  "{}".format(reaction, ", ".join(sorted(missing_reaction))))
 
         if len(missing_products) > 0:
-            tail = ("{} -> {}".format(k, v)
+            tail = (f"{k} -> {v}"
                     for k, v in sorted(missing_products.items()))
             warn("The following products were not found in the {} and "
                  "parents were unmodified: \n{}".format(
                      self.__class__.__name__, ", ".join(tail)))
 
         if len(bad_sums) > 0:
-            tail = ("{}: {:5.3f}".format(k, s)
+            tail = (f"{k}: {s:5.3f}"
                     for k, s in sorted(bad_sums.items()))
             warn("The following parent nuclides were given {} branch ratios "
                  "with a sum outside tolerance of 1 +/- {:5.3e}:\n{}".format(
diff --git a/openmc/deplete/coupled_operator.py b/openmc/deplete/coupled_operator.py
index 8d43e2b2c..acdcf467c 100644
--- a/openmc/deplete/coupled_operator.py
+++ b/openmc/deplete/coupled_operator.py
@@ -518,7 +518,7 @@ class CoupledOperator(OpenMCOperator):
 
         """
         openmc.lib.statepoint_write(
-            "openmc_simulation_n{}.h5".format(step),
+            f"openmc_simulation_n{step}.h5",
             write_source=False)
 
     def finalize(self):
diff --git a/openmc/deplete/nuclide.py b/openmc/deplete/nuclide.py
index d055c2e37..60e3e5317 100644
--- a/openmc/deplete/nuclide.py
+++ b/openmc/deplete/nuclide.py
@@ -275,7 +275,7 @@ class Nuclide:
             if parent is not None:
                 assert root is not None
                 fpy_elem = root.find(
-                    './/nuclide[@name="{}"]/neutron_fission_yields'.format(parent)
+                    f'.//nuclide[@name="{parent}"]/neutron_fission_yields'
                 )
                 if fpy_elem is None:
                     raise ValueError(
@@ -413,7 +413,7 @@ class Nuclide:
                     continue
                 msg = msg_func(
                     name=self.name, actual=sum_br, expected=1.0, tol=tolerance,
-                    prop="{} reaction branch ratios".format(rxn_type))
+                    prop=f"{rxn_type} reaction branch ratios")
                 if strict:
                     raise ValueError(msg)
                 elif quiet:
@@ -430,7 +430,7 @@ class Nuclide:
                 msg = msg_func(
                     name=self.name, actual=sum_yield,
                     expected=2.0, tol=tolerance,
-                    prop="fission yields (E = {:7.4e} eV)".format(energy))
+                    prop=f"fission yields (E = {energy:7.4e} eV)")
                 if strict:
                     raise ValueError(msg)
                 elif quiet:
@@ -695,8 +695,7 @@ class FissionYield(Mapping):
         return self * scalar
 
     def __repr__(self):
-        return "<{} containing {} products and yields>".format(
-            self.__class__.__name__, len(self))
+        return f"<{self.__class__.__name__} containing {len(self)} products and yields>"
 
     def __deepcopy__(self, memo):
         result = FissionYield(self.products, self.yields.copy())
diff --git a/openmc/lattice.py b/openmc/lattice.py
index d281f6e76..40b97f6cf 100644
--- a/openmc/lattice.py
+++ b/openmc/lattice.py
@@ -1851,7 +1851,7 @@ class HexLattice(Lattice):
         largest_index = 6*(num_rings - 1)
         n_digits_index = len(str(largest_index))
         n_digits_ring = len(str(num_rings - 1))
-        str_form = '({{:{}}},{{:{}}})'.format(n_digits_ring, n_digits_index)
+        str_form = f'({{:{n_digits_ring}}},{{:{n_digits_index}}})'
         pad = ' '*(n_digits_index + n_digits_ring + 3)
 
         # Initialize the list for each row.
@@ -1956,7 +1956,7 @@ class HexLattice(Lattice):
         largest_index = 6*(num_rings - 1)
         n_digits_index = len(str(largest_index))
         n_digits_ring = len(str(num_rings - 1))
-        str_form = '({{:{}}},{{:{}}})'.format(n_digits_ring, n_digits_index)
+        str_form = f'({{:{n_digits_ring}}},{{:{n_digits_index}}})'
         pad = ' '*(n_digits_index + n_digits_ring + 3)
 
         # Initialize the list for each row.
diff --git a/openmc/lib/__init__.py b/openmc/lib/__init__.py
index dc5bd7d9b..42d779441 100644
--- a/openmc/lib/__init__.py
+++ b/openmc/lib/__init__.py
@@ -28,7 +28,7 @@ else:
 if os.environ.get('READTHEDOCS', None) != 'True':
     # Open shared library
     _filename = pkg_resources.resource_filename(
-        __name__, 'libopenmc.{}'.format(_suffix))
+        __name__, f'libopenmc.{_suffix}')
     _dll = CDLL(_filename)
 else:
     # For documentation builds, we don't actually have the shared library
diff --git a/openmc/lib/cell.py b/openmc/lib/cell.py
index 807fe73c7..971a24cba 100644
--- a/openmc/lib/cell.py
+++ b/openmc/lib/cell.py
@@ -268,7 +268,7 @@ class Cell(_FortranObjectWithID):
             return rotation_data[9:]
         else:
             raise ValueError(
-                'Invalid size of rotation matrix: {}'.format(rot_size))
+                f'Invalid size of rotation matrix: {rot_size}')
 
     @rotation.setter
     def rotation(self, rotation_data):
diff --git a/openmc/lib/core.py b/openmc/lib/core.py
index d8e0bfdb5..a9a549fa0 100644
--- a/openmc/lib/core.py
+++ b/openmc/lib/core.py
@@ -629,7 +629,7 @@ class _DLLGlobal:
 
 class _FortranObject:
     def __repr__(self):
-        return "<{}(index={})>".format(type(self).__name__, self._index)
+        return f"<{type(self).__name__}(index={self._index})>"
 
 
 class _FortranObjectWithID(_FortranObject):
@@ -641,7 +641,7 @@ class _FortranObjectWithID(_FortranObject):
         self.id
 
     def __repr__(self):
-        return "<{}(id={})>".format(type(self).__name__, self.id)
+        return f"<{type(self).__name__}(id={self.id})>"
 
 
 @contextmanager
diff --git a/openmc/lib/error.py b/openmc/lib/error.py
index 89e7b6e39..dbe08e1ef 100644
--- a/openmc/lib/error.py
+++ b/openmc/lib/error.py
@@ -37,5 +37,5 @@ def _error_handler(err, func, args):
         warn(msg)
     elif err < 0:
         if not msg:
-            msg = "Unknown error encountered (code {}).".format(err)
+            msg = f"Unknown error encountered (code {err})."
         raise exc.OpenMCError(msg)
diff --git a/openmc/lib/plot.py b/openmc/lib/plot.py
index 9f294a42c..d98636676 100644
--- a/openmc/lib/plot.py
+++ b/openmc/lib/plot.py
@@ -31,7 +31,7 @@ class _Position(Structure):
         elif idx == 2:
             return self.z
         else:
-            raise IndexError("{} index is invalid for _Position".format(idx))
+            raise IndexError(f"{idx} index is invalid for _Position")
 
     def __setitem__(self, idx, val):
         if idx == 0:
@@ -41,10 +41,10 @@ class _Position(Structure):
         elif idx == 2:
             self.z = val
         else:
-            raise IndexError("{} index is invalid for _Position".format(idx))
+            raise IndexError(f"{idx} index is invalid for _Position")
 
     def __repr__(self):
-        return "({}, {}, {})".format(self.x, self.y, self.z)
+        return f"({self.x}, {self.y}, {self.z})"
 
 
 class _PlotBase(Structure):
@@ -127,7 +127,7 @@ class _PlotBase(Structure):
         elif self.basis_ == 3:
             return 'yz'
 
-        raise ValueError("Plot basis {} is invalid".format(self.basis_))
+        raise ValueError(f"Plot basis {self.basis_} is invalid")
 
     @basis.setter
     def basis(self, basis):
@@ -135,7 +135,7 @@ class _PlotBase(Structure):
             valid_bases = ('xy', 'xz', 'yz')
             basis = basis.lower()
             if basis not in valid_bases:
-                raise ValueError("{} is not a valid plot basis.".format(basis))
+                raise ValueError(f"{basis} is not a valid plot basis.")
 
             if basis == 'xy':
                 self.basis_ = 1
@@ -148,12 +148,11 @@ class _PlotBase(Structure):
         if isinstance(basis, int):
             valid_bases = (1, 2, 3)
             if basis not in valid_bases:
-                raise ValueError("{} is not a valid plot basis.".format(basis))
+                raise ValueError(f"{basis} is not a valid plot basis.")
             self.basis_ = basis
             return
 
-        raise ValueError("{} of type {} is an"
-                         " invalid plot basis".format(basis, type(basis)))
+        raise ValueError(f"{basis} of type {type(basis)} is an invalid plot basis")
 
     @property
     def h_res(self):
@@ -199,14 +198,14 @@ class _PlotBase(Structure):
         out_str = ["-----",
                    "Plot:",
                    "-----",
-                   "Origin: {}".format(self.origin),
-                   "Width: {}".format(self.width),
-                   "Height: {}".format(self.height),
-                   "Basis: {}".format(self.basis),
-                   "HRes: {}".format(self.h_res),
-                   "VRes: {}".format(self.v_res),
-                   "Color Overlaps: {}".format(self.color_overlaps),
-                   "Level: {}".format(self.level)]
+                   f"Origin: {self.origin}",
+                   f"Width: {self.width}",
+                   f"Height: {self.height}",
+                   f"Basis: {self.basis}",
+                   f"HRes: {self.h_res}",
+                   f"VRes: {self.v_res}",
+                   f"Color Overlaps: {self.color_overlaps}",
+                   f"Level: {self.level}"]
         return '\n'.join(out_str)
 
 
diff --git a/openmc/lib/settings.py b/openmc/lib/settings.py
index 6a7e5aa12..062670ef8 100644
--- a/openmc/lib/settings.py
+++ b/openmc/lib/settings.py
@@ -53,7 +53,7 @@ class _Settings:
                 current_idx.value = idx
                 break
         else:
-            raise ValueError('Invalid run mode: {}'.format(mode))
+            raise ValueError(f'Invalid run mode: {mode}')
 
     @property
     def path_statepoint(self):
diff --git a/openmc/material.py b/openmc/material.py
index c31862a18..6edc37216 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -152,7 +152,7 @@ class Material(IDManagerMixin):
 
         for nuclide, percent, percent_type in self._nuclides:
             string += '{: <16}'.format('\t{}'.format(nuclide))
-            string += '=\t{: <12} [{}]\n'.format(percent, percent_type)
+            string += f'=\t{percent: <12} [{percent_type}]\n'
 
         if self._macroscopic is not None:
             string += '{: <16}\n'.format('\tMacroscopic Data')
@@ -469,8 +469,7 @@ class Material(IDManagerMixin):
                 raise ValueError('No volume information found for material ID={}.'
                                  .format(self.id))
         else:
-            raise ValueError('No volume information found for material ID={}.'
-                             .format(self.id))
+            raise ValueError(f'No volume information found for material ID={self.id}.')
 
     def set_density(self, units: str, density: Optional[float] = None):
         """Set the density of the material
@@ -500,7 +499,7 @@ class Material(IDManagerMixin):
                       '"sum" unit'.format(self.id)
                 raise ValueError(msg)
 
-            cv.check_type('the density for Material ID="{}"'.format(self.id),
+            cv.check_type(f'the density for Material ID="{self.id}"',
                           density, Real)
             self._density = density
 
@@ -743,20 +742,18 @@ class Material(IDManagerMixin):
             el = element.lower()
             element = openmc.data.ELEMENT_SYMBOL.get(el)
             if element is None:
-                msg = 'Element name "{}" not recognised'.format(el)
+                msg = f'Element name "{el}" not recognised'
                 raise ValueError(msg)
         else:
             if element[0].islower():
-                msg = 'Element name "{}" should start with an uppercase ' \
-                      'letter'.format(element)
+                msg = f'Element name "{element}" should start with an uppercase letter'
                 raise ValueError(msg)
             if len(element) == 2 and element[1].isupper():
-                msg = 'Element name "{}" should end with a lowercase ' \
-                      'letter'.format(element)
+                msg = f'Element name "{element}" should end with a lowercase letter'
                 raise ValueError(msg)
             # skips the first entry of ATOMIC_SYMBOL which is n for neutron
             if element not in list(openmc.data.ATOMIC_SYMBOL.values())[1:]:
-                msg = 'Element name "{}" not recognised'.format(element)
+                msg = f'Element name "{element}" not recognised'
                 raise ValueError(msg)
 
         if self._macroscopic is not None:
@@ -847,8 +844,7 @@ class Material(IDManagerMixin):
             for token in row:
                 if token.isalpha():
                     if token == "n" or token not in openmc.data.ATOMIC_NUMBER:
-                        msg = 'Formula entry {} not an element symbol.' \
-                              .format(token)
+                        msg = f'Formula entry {token} not an element symbol.'
                         raise ValueError(msg)
                 elif token not in ['(', ')', ''] and not token.isdigit():
                         msg = 'Formula must be made from a sequence of ' \
@@ -1373,8 +1369,7 @@ class Material(IDManagerMixin):
                 subelement.set("value", str(self._density))
             subelement.set("units", self._density_units)
         else:
-            raise ValueError('Density has not been set for material {}!'
-                             .format(self.id))
+            raise ValueError(f'Density has not been set for material {self.id}!')
 
         if self._macroscopic is None:
             # Create nuclide XML subelements
@@ -1480,7 +1475,7 @@ class Material(IDManagerMixin):
 
         # Create the new material with the desired name
         if name is None:
-            name = '-'.join(['{}({})'.format(m.name, f) for m, f in
+            name = '-'.join([f'{m.name}({f})' for m, f in
                              zip(materials, fracs)])
         new_mat = openmc.Material(name=name)
 
diff --git a/openmc/mgxs/library.py b/openmc/mgxs/library.py
index 2fa2e0f05..12a4630bd 100644
--- a/openmc/mgxs/library.py
+++ b/openmc/mgxs/library.py
@@ -685,7 +685,7 @@ class Library:
 
         # Check that requested domain is included in library
         if mgxs_type not in self.mgxs_types:
-            msg = 'Unable to find MGXS type "{0}"'.format(mgxs_type)
+            msg = f'Unable to find MGXS type "{mgxs_type}"'
             raise ValueError(msg)
 
         return self.all_mgxs[domain_id][mgxs_type]
@@ -901,7 +901,7 @@ class Library:
         if not os.path.exists(directory):
             os.makedirs(directory)
 
-        full_filename = os.path.join(directory, '{}.pkl'.format(filename))
+        full_filename = os.path.join(directory, f'{filename}.pkl')
         full_filename = full_filename.replace(' ', '-')
 
         # Load and return pickled Library object
diff --git a/openmc/mgxs/mdgxs.py b/openmc/mgxs/mdgxs.py
index 45c559a22..b95a4fbc0 100644
--- a/openmc/mgxs/mdgxs.py
+++ b/openmc/mgxs/mdgxs.py
@@ -612,7 +612,7 @@ class MDGXS(MGXS):
         string += '{0: <16}=\t{1}\n'.format('\tDomain ID', self.domain.id)
 
         # Generate the header for an individual XS
-        xs_header = '\tCross Sections [{0}]:'.format(self.get_units(xs_type))
+        xs_header = f'\tCross Sections [{self.get_units(xs_type)}]:'
 
         # If cross section data has not been computed, only print string header
         if self.tallies is None:
@@ -641,7 +641,7 @@ class MDGXS(MGXS):
                     string += '{0: <16}=\t{1}\n'.format('\tNuclide', nuclide)
 
                 # Add the cross section header
-                string += '{0: <16}\n'.format(xs_header)
+                string += f'{xs_header: <16}\n'
 
                 for delayed_group in self.delayed_groups:
 
@@ -875,7 +875,7 @@ class MDGXS(MGXS):
         # Sort the dataframe by domain type id (e.g., distribcell id) and
         # energy groups such that data is from fast to thermal
         if self.domain_type == 'mesh':
-            mesh_str = 'mesh {0}'.format(self.domain.id)
+            mesh_str = f'mesh {self.domain.id}'
             df.sort_values(by=[(mesh_str, 'x'), (mesh_str, 'y'),
                                (mesh_str, 'z')] + columns, inplace=True)
         else:
@@ -2496,7 +2496,7 @@ class MatrixMDGXS(MDGXS):
         string += '{0: <16}=\t{1}\n'.format('\tDomain ID', self.domain.id)
 
         # Generate the header for an individual XS
-        xs_header = '\tCross Sections [{0}]:'.format(self.get_units(xs_type))
+        xs_header = f'\tCross Sections [{self.get_units(xs_type)}]:'
 
         # If cross section data has not been computed, only print string header
         if self.tallies is None:
@@ -2532,7 +2532,7 @@ class MatrixMDGXS(MDGXS):
                     string += '{: <16}=\t{}\n'.format('\tNuclide', nuclide)
 
                 # Build header for cross section type
-                string += '{: <16}\n'.format(xs_header)
+                string += f'{xs_header: <16}\n'
 
                 if self.delayed_groups is not None:
 
diff --git a/openmc/mgxs/mgxs.py b/openmc/mgxs/mgxs.py
index 2eb7f2756..588b6f64e 100644
--- a/openmc/mgxs/mgxs.py
+++ b/openmc/mgxs/mgxs.py
@@ -1427,7 +1427,7 @@ class MGXS:
                                         filter_bins=subdomains)
             avg_xs.tallies[tally_type] = tally_avg
 
-        avg_xs._domain_type = 'sum({0})'.format(self.domain_type)
+        avg_xs._domain_type = f'sum({self.domain_type})'
         avg_xs.sparse = self.sparse
         return avg_xs
 
@@ -1478,7 +1478,7 @@ class MGXS:
         # Clone this MGXS to initialize the homogenized version
         homogenized_mgxs = copy.deepcopy(self)
         homogenized_mgxs._derived = True
-        name = 'hom({}, '.format(self.domain.name)
+        name = f'hom({self.domain.name}, '
 
         # Get the domain filter
         filter_type = _DOMAIN_TO_FILTER[self.domain_type]
@@ -1505,7 +1505,7 @@ class MGXS:
             denom_tally += other_denom_tally
 
             # Update the name for the homogenzied MGXS
-            name += '{}, '.format(mgxs.domain.name)
+            name += f'{mgxs.domain.name}, '
 
         # Set the properties of the homogenized MGXS
         homogenized_mgxs._rxn_rate_tally = rxn_rate_tally
@@ -1745,7 +1745,7 @@ class MGXS:
         string += '{0: <16}=\t{1}\n'.format('\tDomain ID', self.domain.id)
 
         # Generate the header for an individual XS
-        xs_header = '\tCross Sections [{0}]:'.format(self.get_units(xs_type))
+        xs_header = f'\tCross Sections [{self.get_units(xs_type)}]:'
 
         # If cross section data has not been computed, only print string header
         if self.tallies is None:
@@ -1773,7 +1773,7 @@ class MGXS:
                     string += '{0: <16}=\t{1}\n'.format('\tNuclide', nuclide)
 
                 # Build header for cross section type
-                string += '{0: <16}\n'.format(xs_header)
+                string += f'{xs_header: <16}\n'
                 template = '{0: <12}Group {1} [{2: <10} - {3: <10}eV]:\t'
 
                 average_xs = self.get_xs(nuclides=[nuclide],
@@ -2131,7 +2131,7 @@ class MGXS:
         # Sort the dataframe by domain type id (e.g., distribcell id) and
         # energy groups such that data is from fast to thermal
         if self.domain_type == 'mesh':
-            mesh_str = 'mesh {0}'.format(self.domain.id)
+            mesh_str = f'mesh {self.domain.id}'
             df.sort_values(by=[(mesh_str, 'x'), (mesh_str, 'y'),
                                (mesh_str, 'z')] + columns, inplace=True)
         else:
@@ -2472,7 +2472,7 @@ class MatrixMGXS(MGXS):
         string += '{0: <16}=\t{1}\n'.format('\tDomain ID', self.domain.id)
 
         # Generate the header for an individual XS
-        xs_header = '\tCross Sections [{0}]:'.format(self.get_units(xs_type))
+        xs_header = f'\tCross Sections [{self.get_units(xs_type)}]:'
 
         # If cross section data has not been computed, only print string header
         if self.tallies is None:
@@ -2508,7 +2508,7 @@ class MatrixMGXS(MGXS):
                     string += '{0: <16}=\t{1}\n'.format('\tNuclide', nuclide)
 
                 # Build header for cross section type
-                string += '{0: <16}\n'.format(xs_header)
+                string += f'{xs_header: <16}\n'
                 template = '{0: <12}Group {1} -> Group {2}:\t\t'
 
                 average_xs = self.get_xs(nuclides=[nuclide],
@@ -4476,7 +4476,7 @@ class ScatterMatrixXS(MatrixMGXS):
             slice_xs.legendre_order = legendre_order
 
             # Slice the scattering tally
-            filter_bins = [tuple(['P{}'.format(i)
+            filter_bins = [tuple([f'P{i}'
                                   for i in range(self.legendre_order + 1)])]
             slice_xs.tallies[self.rxn_type] = \
                 slice_xs.tallies[self.rxn_type].get_slice(
@@ -4613,7 +4613,7 @@ class ScatterMatrixXS(MatrixMGXS):
                 cv.check_less_than(
                     'moment', moment, self.legendre_order, equality=True)
                 filters.append(openmc.LegendreFilter)
-                filter_bins.append(('P{}'.format(moment),))
+                filter_bins.append((f'P{moment}',))
                 num_angle_bins = 1
             else:
                 num_angle_bins = self.legendre_order + 1
@@ -4804,7 +4804,7 @@ class ScatterMatrixXS(MatrixMGXS):
         cv.check_value('xs_type', xs_type, ['macro', 'micro'])
 
         if self.correction != 'P0' and self.scatter_format == SCATTER_LEGENDRE:
-            rxn_type = '{0} (P{1})'.format(self.mgxs_type, moment)
+            rxn_type = f'{self.mgxs_type} (P{moment})'
         else:
             rxn_type = self.mgxs_type
 
@@ -4815,7 +4815,7 @@ class ScatterMatrixXS(MatrixMGXS):
         string += '{0: <16}=\t{1}\n'.format('\tDomain ID', self.domain.id)
 
         # Generate the header for an individual XS
-        xs_header = '\tCross Sections [{0}]:'.format(self.get_units(xs_type))
+        xs_header = f'\tCross Sections [{self.get_units(xs_type)}]:'
 
         # If cross section data has not been computed, only print string header
         if self.tallies is None:
@@ -4851,7 +4851,7 @@ class ScatterMatrixXS(MatrixMGXS):
                     string += '{0: <16}=\t{1}\n'.format('\tNuclide', nuclide)
 
                 # Build header for cross section type
-                string += '{0: <16}\n'.format(xs_header)
+                string += f'{xs_header: <16}\n'
 
                 average_xs = self.get_xs(nuclides=[nuclide],
                                          subdomains=[subdomain],
@@ -4903,8 +4903,7 @@ class ScatterMatrixXS(MatrixMGXS):
                         for azi in range(len(azi_bins) - 1):
                             azi_low, azi_high = azi_bins[azi: azi + 2]
                             string += \
-                                '\t\tPolar Angle: [{0:5f} - {1:5f}]'.format(
-                                    pol_low, pol_high) + \
+                                f'\t\tPolar Angle: [{pol_low:5f} - {pol_high:5f}]' + \
                                 '\tAzimuthal Angle: [{0:5f} - {1:5f}]'.format(
                                     azi_low, azi_high) + '\n'
                             string += print_groups_and_histogram(
@@ -6226,7 +6225,7 @@ class MeshSurfaceMGXS(MGXS):
             if 'group out' in df:
                 df = df[df['group out'].isin(groups)]
 
-        mesh_str = 'mesh {0}'.format(self.domain.id)
+        mesh_str = f'mesh {self.domain.id}'
         col_key = (mesh_str, 'surf')
         surfaces = df.pop(col_key)
         df.insert(len(self.domain.dimension), col_key, surfaces)
diff --git a/openmc/model/funcs.py b/openmc/model/funcs.py
index 815d03829..41aa920ea 100644
--- a/openmc/model/funcs.py
+++ b/openmc/model/funcs.py
@@ -221,8 +221,7 @@ def pin(surfaces, items, subdivisions=None, divide_vols=True,
         center_getter = attrgetter("z0", "y0")
     else:
         raise TypeError(
-            "Not configured to interpret {} surfaces".format(
-                surf_type.__name__))
+            f"Not configured to interpret {surf_type.__name__} surfaces")
 
     centers = set()
     prev_rad = 0
diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index 5543a88e8..6f9123311 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -46,7 +46,7 @@ class CompositeSurface(ABC):
                 getattr(self, name).boundary_type = boundary_type
 
     def __repr__(self):
-        return "<{} at 0x{:x}>".format(type(self).__name__, id(self))
+        return f"<{type(self).__name__} at 0x{id(self):x}>"
 
     @property
     @abstractmethod
diff --git a/openmc/plots.py b/openmc/plots.py
index 5552b18a8..df4a76633 100644
--- a/openmc/plots.py
+++ b/openmc/plots.py
@@ -634,8 +634,7 @@ class Plot(PlotBase):
             raise ValueError(msg)
 
         elif meshlines['type'] not in ['tally', 'entropy', 'ufs', 'cmfd']:
-            msg = 'Unable to set the meshlines with ' \
-                  'type "{}"'.format(meshlines['type'])
+            msg = f"Unable to set the meshlines with type \"{meshlines['type']}\""
             raise ValueError(msg)
 
         if 'id' in meshlines:
diff --git a/openmc/stats/univariate.py b/openmc/stats/univariate.py
index 3d5f647ac..a0e86c3f8 100644
--- a/openmc/stats/univariate.py
+++ b/openmc/stats/univariate.py
@@ -383,7 +383,7 @@ class Uniform(Univariate):
         """
         element = ET.Element(element_name)
         element.set("type", "uniform")
-        element.set("parameters", '{} {}'.format(self.a, self.b))
+        element.set("parameters", f'{self.a} {self.b}')
         return element
 
     @classmethod
@@ -672,7 +672,7 @@ class Watt(Univariate):
         """
         element = ET.Element(element_name)
         element.set("type", "watt")
-        element.set("parameters", '{} {}'.format(self.a, self.b))
+        element.set("parameters", f'{self.a} {self.b}')
         return element
 
     @classmethod
@@ -762,7 +762,7 @@ class Normal(Univariate):
         """
         element = ET.Element(element_name)
         element.set("type", "normal")
-        element.set("parameters", '{} {}'.format(self.mean_value, self.std_dev))
+        element.set("parameters", f'{self.mean_value} {self.std_dev}')
         return element
 
     @classmethod
diff --git a/openmc/surface.py b/openmc/surface.py
index bc10f7e8a..806331024 100644
--- a/openmc/surface.py
+++ b/openmc/surface.py
@@ -187,8 +187,7 @@ class Surface(IDManagerMixin, ABC):
         coefficients = '{0: <20}'.format('\tCoefficients') + '\n'
 
         for coeff in self._coefficients:
-            coefficients += '{0: <20}{1}{2}\n'.format(
-                coeff, '=\t', self._coefficients[coeff])
+            coefficients += f'{coeff: <20}=\t{self._coefficients[coeff]}\n'
 
         string += coefficients
 
diff --git a/openmc/tallies.py b/openmc/tallies.py
index ddc5d68ee..04ae00b6a 100644
--- a/openmc/tallies.py
+++ b/openmc/tallies.py
@@ -2149,7 +2149,7 @@ class Tally(IDManagerMixin):
             new_tally.sparse = self.sparse
 
         else:
-            msg = 'Unable to add "{}" to Tally ID="{}"'.format(other, self.id)
+            msg = f'Unable to add "{other}" to Tally ID="{self.id}"'
             raise ValueError(msg)
 
         return new_tally
@@ -2220,7 +2220,7 @@ class Tally(IDManagerMixin):
             new_tally.sparse = self.sparse
 
         else:
-            msg = 'Unable to subtract "{}" from Tally ID="{}"'.format(other, self.id)
+            msg = f'Unable to subtract "{other}" from Tally ID="{self.id}"'
             raise ValueError(msg)
 
         return new_tally
@@ -2291,7 +2291,7 @@ class Tally(IDManagerMixin):
             new_tally.sparse = self.sparse
 
         else:
-            msg = 'Unable to multiply Tally ID="{}" by "{}"'.format(self.id, other)
+            msg = f'Unable to multiply Tally ID="{self.id}" by "{other}"'
             raise ValueError(msg)
 
         return new_tally
@@ -2362,7 +2362,7 @@ class Tally(IDManagerMixin):
             new_tally.sparse = self.sparse
 
         else:
-            msg = 'Unable to divide Tally ID="{}" by "{}"'.format(self.id, other)
+            msg = f'Unable to divide Tally ID="{self.id}" by "{other}"'
             raise ValueError(msg)
 
         return new_tally
@@ -2437,7 +2437,7 @@ class Tally(IDManagerMixin):
             new_tally.sparse = self.sparse
 
         else:
-            msg = 'Unable to raise Tally ID="{}" to power "{}"'.format(self.id, power)
+            msg = f'Unable to raise Tally ID="{self.id}" to power "{power}"'
             raise ValueError(msg)
 
         return new_tally
@@ -3105,8 +3105,7 @@ class Tallies(cv.CheckedList):
 
         """
         if not isinstance(tally, Tally):
-            msg = 'Unable to add a non-Tally "{}" to the ' \
-                  'Tallies instance'.format(tally)
+            msg = f'Unable to add a non-Tally "{tally}" to the Tallies instance'
             raise TypeError(msg)
 
         if merge:

From d1366c05450a6bb65ec3566012f2b7a221d94b55 Mon Sep 17 00:00:00 2001
From: Gavin Ridley <gavin.keith.ridley@gmail.com>
Date: Thu, 2 May 2024 06:52:39 -0500
Subject: [PATCH 2081/2654] Update random_dist.h comment to be less specific
 (#2991)

---
 include/openmc/random_dist.h | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/include/openmc/random_dist.h b/include/openmc/random_dist.h
index 4c9ab3c67..0fb186edc 100644
--- a/include/openmc/random_dist.h
+++ b/include/openmc/random_dist.h
@@ -48,9 +48,9 @@ extern "C" double maxwell_spectrum(double T, uint64_t* seed);
 extern "C" double watt_spectrum(double a, double b, uint64_t* seed);
 
 //==============================================================================
-//! Samples an energy from the Gaussian energy-dependent fission distribution.
+//! Samples an energy from the Gaussian distribution.
 //!
-//! Samples from a Normal distribution with a given mean and standard deviation
+//! Samples from a normal distribution with a given mean and standard deviation
 //! The PDF is defined as s(x) = (1/2*sigma*sqrt(2) * e-((mu-x)/2*sigma)^2
 //! Its sampled according to
 //! http://www-pdg.lbl.gov/2009/reviews/rpp2009-rev-monte-carlo-techniques.pdf

From c976653abfba28ce4ac3c464d3e1d22b685d93d1 Mon Sep 17 00:00:00 2001
From: Travis L <Travis.LabossiereHickman@INL.gov>
Date: Thu, 2 May 2024 10:00:22 -0400
Subject: [PATCH 2082/2654] Allow zero bins in tally triggers (#2928)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 docs/source/io_formats/tallies.rst | 12 +++++++++
 include/openmc/tallies/trigger.h   |  1 +
 openmc/trigger.py                  | 28 +++++++++++++++++++--
 src/tallies/tally.cpp              | 10 ++++++--
 src/tallies/trigger.cpp            |  6 ++---
 tests/unit_tests/test_triggers.py  | 40 ++++++++++++++++++++++++++++++
 6 files changed, 90 insertions(+), 7 deletions(-)

diff --git a/docs/source/io_formats/tallies.rst b/docs/source/io_formats/tallies.rst
index c28db988b..78101ab66 100644
--- a/docs/source/io_formats/tallies.rst
+++ b/docs/source/io_formats/tallies.rst
@@ -100,6 +100,18 @@ The ``<tally>`` element accepts the following sub-elements:
 
      *Default*: None
 
+   :ignore_zeros:
+     Whether to allow zero tally bins to be ignored when assessing the
+     convergece of the precision trigger. If True, only nonzero tally scores
+     will be compared to the trigger's threshold.
+
+     .. note:: The ``ignore_zeros`` option can cause the tally trigger to fire
+               prematurely if there are no hits in any bins at the first
+               evalulation. It is the user's responsibility to specify enough
+               particles per batch to get a nonzero score in at least one bin.
+     
+     *Default*: False
+
    :scores:
      The score(s) in this tally to which the trigger should be applied.
 
diff --git a/include/openmc/tallies/trigger.h b/include/openmc/tallies/trigger.h
index 9fe159b9d..7feed5e8a 100644
--- a/include/openmc/tallies/trigger.h
+++ b/include/openmc/tallies/trigger.h
@@ -23,6 +23,7 @@ enum class TriggerMetric {
 struct Trigger {
   TriggerMetric metric; //!< The type of uncertainty (e.g. std dev) measured
   double threshold;     //!< Uncertainty value below which trigger is satisfied
+  bool ignore_zeros;    //!< Whether to allow zero tally bins to be ignored
   int score_index;      //!< Index of the relevant score in the tally's arrays
 };
 
diff --git a/openmc/trigger.py b/openmc/trigger.py
index c7d9e9240..79f5ea5af 100644
--- a/openmc/trigger.py
+++ b/openmc/trigger.py
@@ -17,6 +17,12 @@ class Trigger(EqualityMixin):
         relative error of scores.
     threshold : float
         The threshold for the trigger type.
+    ignore_zeros : bool
+        Whether to allow zero tally bins to be ignored. Note that this option
+        can cause the trigger to fire prematurely if there are zero scores in
+        any bin at the first evaluation.
+
+        .. versionadded:: 0.14.1
 
     Attributes
     ----------
@@ -27,18 +33,22 @@ class Trigger(EqualityMixin):
         The threshold for the trigger type.
     scores : list of str
         Scores which should be checked against the trigger
+    ignore_zeros : bool
+        Whether to allow zero tally bins to be ignored.
 
     """
 
-    def __init__(self, trigger_type: str, threshold: float):
+    def __init__(self, trigger_type: str, threshold: float, ignore_zeros: bool = False):
         self.trigger_type = trigger_type
         self.threshold = threshold
+        self.ignore_zeros = ignore_zeros
         self._scores = []
 
     def __repr__(self):
         string = 'Trigger\n'
         string += '{: <16}=\t{}\n'.format('\tType', self._trigger_type)
         string += '{: <16}=\t{}\n'.format('\tThreshold', self._threshold)
+        string += '{: <16}=\t{}\n'.format('\tIgnore Zeros', self._ignore_zeros)
         string += '{: <16}=\t{}\n'.format('\tScores', self._scores)
         return string
 
@@ -61,6 +71,15 @@ class Trigger(EqualityMixin):
         cv.check_type('tally trigger threshold', threshold, Real)
         self._threshold = threshold
 
+    @property
+    def ignore_zeros(self):
+        return self._ignore_zeros
+
+    @ignore_zeros.setter
+    def ignore_zeros(self, ignore_zeros):
+        cv.check_type('tally trigger ignores zeros', ignore_zeros, bool)
+        self._ignore_zeros = ignore_zeros
+
     @property
     def scores(self):
         return self._scores
@@ -88,6 +107,8 @@ class Trigger(EqualityMixin):
         element = ET.Element("trigger")
         element.set("type", self._trigger_type)
         element.set("threshold", str(self._threshold))
+        if self._ignore_zeros:
+            element.set("ignore_zeros", "true")
         if len(self._scores) != 0:
             element.set("scores", ' '.join(self._scores))
         return element
@@ -110,7 +131,10 @@ class Trigger(EqualityMixin):
         # Generate trigger object
         trigger_type = elem.get("type")
         threshold = float(elem.get("threshold"))
-        trigger = cls(trigger_type, threshold)
+        ignore_zeros = str(elem.get("ignore_zeros", "false")).lower()
+        # Try to convert to bool. Let Trigger error out on instantiation.
+        ignore_zeros = ignore_zeros in ('true', '1')
+        trigger = cls(trigger_type, threshold, ignore_zeros)
 
         # Add scores if present
         scores = elem.get("scores")
diff --git a/src/tallies/tally.cpp b/src/tallies/tally.cpp
index 2e77bcad2..674987b8f 100644
--- a/src/tallies/tally.cpp
+++ b/src/tallies/tally.cpp
@@ -690,6 +690,12 @@ void Tally::init_triggers(pugi::xml_node node)
         "Must specify trigger threshold for tally {} in tally XML file", id_));
     }
 
+    // Read whether to allow zero-tally bins to be ignored.
+    bool ignore_zeros = false;
+    if (check_for_node(trigger_node, "ignore_zeros")) {
+      ignore_zeros = get_node_value_bool(trigger_node, "ignore_zeros");
+    }
+
     // Read the trigger scores.
     vector<std::string> trigger_scores;
     if (check_for_node(trigger_node, "scores")) {
@@ -703,7 +709,7 @@ void Tally::init_triggers(pugi::xml_node node)
       if (score_str == "all") {
         triggers_.reserve(triggers_.size() + this->scores_.size());
         for (auto i_score = 0; i_score < this->scores_.size(); ++i_score) {
-          triggers_.push_back({metric, threshold, i_score});
+          triggers_.push_back({metric, threshold, ignore_zeros, i_score});
         }
       } else {
         int i_score = 0;
@@ -717,7 +723,7 @@ void Tally::init_triggers(pugi::xml_node node)
                         "{} but it was listed in a trigger on that tally",
               score_str, id_));
         }
-        triggers_.push_back({metric, threshold, i_score});
+        triggers_.push_back({metric, threshold, ignore_zeros, i_score});
       }
     }
   }
diff --git a/src/tallies/trigger.cpp b/src/tallies/trigger.cpp
index 87f298baa..f1f83e298 100644
--- a/src/tallies/trigger.cpp
+++ b/src/tallies/trigger.cpp
@@ -77,9 +77,9 @@ void check_tally_triggers(double& ratio, int& tally_id, int& score)
         auto uncert_pair =
           get_tally_uncertainty(i_tally, trigger.score_index, filter_index);
 
-        // if there is a score without contributions, set ratio to inf and
-        // exit early
-        if (uncert_pair.first == -1) {
+        // If there is a score without contributions, set ratio to inf and
+        // exit early, unless zero scores are ignored for this trigger.
+        if (uncert_pair.first == -1 && !trigger.ignore_zeros) {
           ratio = INFINITY;
           score = t.scores_[trigger.score_index];
           tally_id = t.id_;
diff --git a/tests/unit_tests/test_triggers.py b/tests/unit_tests/test_triggers.py
index 4fe6e044a..6b9e54eeb 100644
--- a/tests/unit_tests/test_triggers.py
+++ b/tests/unit_tests/test_triggers.py
@@ -73,3 +73,43 @@ def test_tally_trigger_null_score(run_in_tmpdir):
         total_batches = sp.n_realizations + sp.n_inactive
         assert total_batches == pincell.settings.trigger_max_batches
 
+
+def test_tally_trigger_zero_ignored(run_in_tmpdir):
+    pincell = openmc.examples.pwr_pin_cell()
+
+    # create an energy filter below and around the O-16(n,p) threshold (1.02e7 eV)
+    e_filter = openmc.EnergyFilter([0.0, 1e7, 2e7])
+
+    # create a tally with triggers applied
+    tally = openmc.Tally()
+    tally.filters = [e_filter]
+    tally.scores = ['(n,p)']
+    tally.nuclides = ["O16"]
+
+    # 100% relative error: should be immediately satisfied in nonzero bin
+    trigger = openmc.Trigger('rel_err', 1.0)
+    trigger.scores = ['(n,p)']
+    trigger.ignore_zeros = True
+
+    tally.triggers = [trigger]
+
+    pincell.tallies = [tally]
+
+    pincell.settings.particles = 1000  # we need a few more particles for this
+    pincell.settings.trigger_active = True
+    pincell.settings.trigger_max_batches = 50
+    pincell.settings.trigger_batch_interval = 20
+
+    sp_file = pincell.run()
+
+    with openmc.StatePoint(sp_file) as sp:
+        # verify that the first bin is zero and the second is nonzero
+        tally_out = sp.get_tally(id=tally.id)
+        below, above = tally_out.mean.squeeze()
+        assert below == 0.0, "Tally events observed below expected threshold"
+        assert above > 0, "No tally events observed. Test with more particles."
+
+        # we expect that the trigger fires before max batches are hit
+        total_batches = sp.n_realizations + sp.n_inactive
+        assert total_batches < pincell.settings.trigger_max_batches
+

From 6e57f1dc7265ad7761886115408e2ec53afc165e Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 2 May 2024 12:47:10 -0500
Subject: [PATCH 2083/2654] Compute homogenized materials over mesh elements
 (#2971)

---
 openmc/deplete/abc.py                  | 22 +-----
 openmc/deplete/independent_operator.py |  1 -
 openmc/deplete/microxs.py              | 59 ++++++++---------
 openmc/mesh.py                         | 92 +++++++++++++++++++++++++-
 openmc/model/model.py                  | 22 ++----
 openmc/utility_funcs.py                | 38 +++++++++++
 tests/unit_tests/test_mesh.py          | 48 ++++++++++++++
 7 files changed, 212 insertions(+), 70 deletions(-)
 create mode 100644 openmc/utility_funcs.py

diff --git a/openmc/deplete/abc.py b/openmc/deplete/abc.py
index 49bb3e6c7..5d9b8a240 100644
--- a/openmc/deplete/abc.py
+++ b/openmc/deplete/abc.py
@@ -10,8 +10,6 @@ from collections.abc import Iterable, Callable
 from copy import deepcopy
 from inspect import signature
 from numbers import Real, Integral
-from contextlib import contextmanager
-import os
 from pathlib import Path
 import time
 from typing import Optional, Union, Sequence
@@ -22,6 +20,7 @@ from uncertainties import ufloat
 
 from openmc.checkvalue import check_type, check_greater_than, PathLike
 from openmc.mpi import comm
+from openmc.utility_funcs import change_directory
 from openmc import Material
 from .stepresult import StepResult
 from .chain import Chain
@@ -61,25 +60,6 @@ except AttributeError:
     # Can't set __doc__ on properties on Python 3.4
     pass
 
-@contextmanager
-def change_directory(output_dir):
-    """
-    Helper function for managing the current directory.
-
-    Parameters
-    ----------
-    output_dir : pathlib.Path
-        Directory to switch to.
-    """
-    orig_dir  = os.getcwd()
-    output_dir = Path(output_dir)
-    output_dir.mkdir(parents=True, exist_ok=True)
-    try:
-        os.chdir(output_dir)
-        yield
-    finally:
-        os.chdir(orig_dir)
-
 
 class TransportOperator(ABC):
     """Abstract class defining a transport operator
diff --git a/openmc/deplete/independent_operator.py b/openmc/deplete/independent_operator.py
index 2328ca761..250b94deb 100644
--- a/openmc/deplete/independent_operator.py
+++ b/openmc/deplete/independent_operator.py
@@ -130,7 +130,6 @@ class IndependentOperator(OpenMCOperator):
         # Validate micro-xs parameters
         check_type('materials', materials, openmc.Materials)
         check_type('micros', micros, Iterable, MicroXS)
-        check_type('fluxes', fluxes, Iterable, float)
 
         if not (len(fluxes) == len(micros) == len(materials)):
             msg = (f'The length of fluxes ({len(fluxes)}) should be equal to '
diff --git a/openmc/deplete/microxs.py b/openmc/deplete/microxs.py
index d80c52baa..497a5284a 100644
--- a/openmc/deplete/microxs.py
+++ b/openmc/deplete/microxs.py
@@ -13,11 +13,11 @@ import numpy as np
 
 from openmc.checkvalue import check_type, check_value, check_iterable_type, PathLike
 from openmc.exceptions import DataError
+from openmc.utility_funcs import change_directory
 from openmc import StatePoint
 from openmc.mgxs import GROUP_STRUCTURES
 from openmc.data import REACTION_MT
 import openmc
-from .abc import change_directory
 from .chain import Chain, REACTIONS
 from .coupled_operator import _find_cross_sections, _get_nuclides_with_data
 import openmc.lib
@@ -284,38 +284,37 @@ class MicroXS:
         # Create 2D array for microscopic cross sections
         microxs_arr = np.zeros((len(nuclides), len(mts)))
 
-        with TemporaryDirectory() as tmpdir:
-            # Create a material with all nuclides
-            mat_all_nucs = openmc.Material()
-            for nuc in nuclides:
-                if nuc in nuclides_with_data:
-                    mat_all_nucs.add_nuclide(nuc, 1.0)
-            mat_all_nucs.set_density("atom/b-cm", 1.0)
+        # Create a material with all nuclides
+        mat_all_nucs = openmc.Material()
+        for nuc in nuclides:
+            if nuc in nuclides_with_data:
+                mat_all_nucs.add_nuclide(nuc, 1.0)
+        mat_all_nucs.set_density("atom/b-cm", 1.0)
 
-            # Create simple model containing the above material
-            surf1 = openmc.Sphere(boundary_type="vacuum")
-            surf1_cell = openmc.Cell(fill=mat_all_nucs, region=-surf1)
-            model = openmc.Model()
-            model.geometry = openmc.Geometry([surf1_cell])
-            model.settings = openmc.Settings(
-                particles=1, batches=1, output={'summary': False})
+        # Create simple model containing the above material
+        surf1 = openmc.Sphere(boundary_type="vacuum")
+        surf1_cell = openmc.Cell(fill=mat_all_nucs, region=-surf1)
+        model = openmc.Model()
+        model.geometry = openmc.Geometry([surf1_cell])
+        model.settings = openmc.Settings(
+            particles=1, batches=1, output={'summary': False})
 
-            with change_directory(tmpdir):
-                # Export model within temporary directory
-                model.export_to_model_xml()
+        with change_directory(tmpdir=True):
+            # Export model within temporary directory
+            model.export_to_model_xml()
 
-                with openmc.lib.run_in_memory(**init_kwargs):
-                    # For each nuclide and reaction, compute the flux-averaged
-                    # cross section
-                    for nuc_index, nuc in enumerate(nuclides):
-                        if nuc not in nuclides_with_data:
-                            continue
-                        lib_nuc = openmc.lib.nuclides[nuc]
-                        for mt_index, mt in enumerate(mts):
-                            xs = lib_nuc.collapse_rate(
-                                mt, temperature, energies, multigroup_flux
-                            )
-                            microxs_arr[nuc_index, mt_index] = xs
+            with openmc.lib.run_in_memory(**init_kwargs):
+                # For each nuclide and reaction, compute the flux-averaged
+                # cross section
+                for nuc_index, nuc in enumerate(nuclides):
+                    if nuc not in nuclides_with_data:
+                        continue
+                    lib_nuc = openmc.lib.nuclides[nuc]
+                    for mt_index, mt in enumerate(mts):
+                        xs = lib_nuc.collapse_rate(
+                            mt, temperature, energies, multigroup_flux
+                        )
+                        microxs_arr[nuc_index, mt_index] = xs
 
         return cls(microxs_arr, nuclides, reactions)
 
diff --git a/openmc/mesh.py b/openmc/mesh.py
index 1f36524d2..8777da325 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -7,7 +7,8 @@ from functools import wraps
 from math import pi, sqrt, atan2
 from numbers import Integral, Real
 from pathlib import Path
-from typing import Optional, Sequence, Tuple
+import tempfile
+from typing import Optional, Sequence, Tuple, List
 
 import h5py
 import lxml.etree as ET
@@ -16,6 +17,7 @@ import numpy as np
 import openmc
 import openmc.checkvalue as cv
 from openmc.checkvalue import PathLike
+from openmc.utility_funcs import change_directory
 from ._xml import get_text
 from .mixin import IDManagerMixin
 from .surface import _BOUNDARY_TYPES
@@ -145,6 +147,94 @@ class MeshBase(IDManagerMixin, ABC):
         else:
             raise ValueError(f'Unrecognized mesh type "{mesh_type}" found.')
 
+    def get_homogenized_materials(
+            self,
+            model: openmc.Model,
+            n_samples: int = 10_000,
+            prn_seed: Optional[int] = None,
+            **kwargs
+    ) -> List[openmc.Material]:
+        """Generate homogenized materials over each element in a mesh.
+
+        .. versionadded:: 0.14.1
+
+        Parameters
+        ----------
+        model : openmc.Model
+            Model containing materials to be homogenized and the associated
+            geometry.
+        n_samples : int
+            Number of samples in each mesh element.
+        prn_seed : int, optional
+            Pseudorandom number generator (PRNG) seed; if None, one will be
+            generated randomly.
+        **kwargs
+            Keyword-arguments passed to :func:`openmc.lib.init`.
+
+        Returns
+        -------
+        list of openmc.Material
+            Homogenized material in each mesh element
+
+        """
+        import openmc.lib
+
+        with change_directory(tmpdir=True):
+            # In order to get mesh into model, we temporarily replace the
+            # tallies with a single mesh tally using the current mesh
+            original_tallies = model.tallies
+            new_tally = openmc.Tally()
+            new_tally.filters = [openmc.MeshFilter(self)]
+            new_tally.scores = ['flux']
+            model.tallies = [new_tally]
+
+            # Export model to XML
+            model.export_to_model_xml()
+
+            # Get material volume fractions
+            openmc.lib.init(**kwargs)
+            mesh = openmc.lib.tallies[new_tally.id].filters[0].mesh
+            mat_volume_by_element = [
+                [
+                    (mat.id if mat is not None else None, volume)
+                    for mat, volume in mat_volume_list
+                ]
+                for mat_volume_list in mesh.material_volumes(n_samples, prn_seed)
+            ]
+            openmc.lib.finalize()
+
+            # Restore original tallies
+            model.tallies = original_tallies
+
+        # Create homogenized material for each element
+        materials = model.geometry.get_all_materials()
+        homogenized_materials = []
+        for mat_volume_list in mat_volume_by_element:
+            material_ids, volumes = [list(x) for x in zip(*mat_volume_list)]
+            total_volume = sum(volumes)
+
+            # Check for void material and remove
+            try:
+                index_void = material_ids.index(None)
+            except ValueError:
+                pass
+            else:
+                material_ids.pop(index_void)
+                volumes.pop(index_void)
+
+            # Compute volume fractions
+            volume_fracs = np.array(volumes) / total_volume
+
+            # Get list of materials and mix 'em up!
+            mats = [materials[uid] for uid in material_ids]
+            homogenized_mat = openmc.Material.mix_materials(
+                mats, volume_fracs, 'vo'
+            )
+            homogenized_mat.volume = total_volume
+            homogenized_materials.append(homogenized_mat)
+
+        return homogenized_materials
+
 
 class StructuredMesh(MeshBase):
     """A base class for structured mesh functionality
diff --git a/openmc/model/model.py b/openmc/model/model.py
index 2be6fcefa..2160c97e6 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -1,6 +1,5 @@
 from __future__ import annotations
 from collections.abc import Iterable
-from contextlib import contextmanager
 from functools import lru_cache
 import os
 from pathlib import Path
@@ -18,18 +17,7 @@ from openmc.dummy_comm import DummyCommunicator
 from openmc.executor import _process_CLI_arguments
 from openmc.checkvalue import check_type, check_value, PathLike
 from openmc.exceptions import InvalidIDError
-
-
-@contextmanager
-def _change_directory(working_dir):
-    """A context manager for executing in a provided working directory"""
-    start_dir = Path.cwd()
-    Path.mkdir(working_dir, parents=True, exist_ok=True)
-    os.chdir(working_dir)
-    try:
-        yield
-    finally:
-        os.chdir(start_dir)
+from openmc.utility_funcs import change_directory
 
 
 class Model:
@@ -395,7 +383,7 @@ class Model:
         # Store whether or not the library was initialized when we started
         started_initialized = self.is_initialized
 
-        with _change_directory(Path(directory)):
+        with change_directory(directory):
             with openmc.lib.quiet_dll(output):
                 # TODO: Support use of IndependentOperator too
                 depletion_operator = dep.CoupledOperator(self, **op_kwargs)
@@ -677,7 +665,7 @@ class Model:
         last_statepoint = None
 
         # Operate in the provided working directory
-        with _change_directory(Path(cwd)):
+        with change_directory(cwd):
             if self.is_initialized:
                 # Handle the run options as applicable
                 # First dont allow ones that must be set via init
@@ -767,7 +755,7 @@ class Model:
             raise ValueError("The Settings.volume_calculations attribute must"
                              " be specified before executing this method!")
 
-        with _change_directory(Path(cwd)):
+        with change_directory(cwd):
             if self.is_initialized:
                 if threads is not None:
                     msg = "Threads must be set via Model.is_initialized(...)"
@@ -829,7 +817,7 @@ class Model:
             raise ValueError("The Model.plots attribute must be specified "
                              "before executing this method!")
 
-        with _change_directory(Path(cwd)):
+        with change_directory(cwd):
             if self.is_initialized:
                 # Compute the volumes
                 openmc.lib.plot_geometry(output)
diff --git a/openmc/utility_funcs.py b/openmc/utility_funcs.py
new file mode 100644
index 000000000..4eb307c93
--- /dev/null
+++ b/openmc/utility_funcs.py
@@ -0,0 +1,38 @@
+from contextlib import contextmanager
+import os
+from pathlib import Path
+from tempfile import TemporaryDirectory
+from typing import Optional
+
+from .checkvalue import PathLike
+
+@contextmanager
+def change_directory(working_dir: Optional[PathLike] = None, *, tmpdir: bool = False):
+    """Context manager for executing in a provided working directory
+
+    Parameters
+    ----------
+    working_dir : path-like
+        Directory to switch to.
+    tmpdir : bool
+        Whether to use a temporary directory instead of a specific working directory
+
+    """
+    orig_dir = Path.cwd()
+
+    # Set up temporary directory if requested
+    if tmpdir:
+        tmp = TemporaryDirectory()
+        working_dir = tmp.name
+    elif working_dir is None:
+        raise ValueError('Must pass working_dir argument or specify tmpdir=True.')
+
+    working_dir = Path(working_dir)
+    working_dir.mkdir(parents=True, exist_ok=True)
+    os.chdir(working_dir)
+    try:
+        yield
+    finally:
+        os.chdir(orig_dir)
+        if tmpdir:
+            tmp.cleanup()
diff --git a/tests/unit_tests/test_mesh.py b/tests/unit_tests/test_mesh.py
index d50d2968e..c49930650 100644
--- a/tests/unit_tests/test_mesh.py
+++ b/tests/unit_tests/test_mesh.py
@@ -299,6 +299,7 @@ def test_CylindricalMesh_get_indices_at_coords():
     assert mesh.get_indices_at_coords([98, 199.9, 299]) == (0, 2, 0)  # third angle quadrant
     assert mesh.get_indices_at_coords([102, 199.1, 299]) == (0, 3, 0)  # forth angle quadrant
 
+
 def test_umesh_roundtrip(run_in_tmpdir, request):
     umesh = openmc.UnstructuredMesh(request.path.parent / 'test_mesh_tets.e', 'moab')
     umesh.output = True
@@ -317,3 +318,50 @@ def test_umesh_roundtrip(run_in_tmpdir, request):
     xml_mesh = xml_tally.filters[0].mesh
 
     assert umesh.id == xml_mesh.id
+
+
+def test_mesh_get_homogenized_materials():
+    """Test the get_homogenized_materials method"""
+    # Simple model with 1 cm of Fe56 next to 1 cm of H1
+    fe = openmc.Material()
+    fe.add_nuclide('Fe56', 1.0)
+    fe.set_density('g/cm3', 5.0)
+    h = openmc.Material()
+    h.add_nuclide('H1', 1.0)
+    h.set_density('g/cm3', 1.0)
+
+    x0 = openmc.XPlane(-1.0, boundary_type='vacuum')
+    x1 = openmc.XPlane(0.0)
+    x2 = openmc.XPlane(1.0)
+    x3 = openmc.XPlane(2.0, boundary_type='vacuum')
+    cell1 = openmc.Cell(fill=fe, region=+x0 & -x1)
+    cell2 = openmc.Cell(fill=h, region=+x1 & -x2)
+    cell_empty = openmc.Cell(region=+x2 & -x3)
+    model = openmc.Model(geometry=openmc.Geometry([cell1, cell2, cell_empty]))
+    model.settings.particles = 1000
+    model.settings.batches = 10
+
+    mesh = openmc.RegularMesh()
+    mesh.lower_left = (-1., -1., -1.)
+    mesh.upper_right = (1., 1., 1.)
+    mesh.dimension = (3, 1, 1)
+    m1, m2, m3 = mesh.get_homogenized_materials(model, n_samples=1_000_000)
+
+    # Left mesh element should be only Fe56
+    assert m1.get_mass_density('Fe56') == pytest.approx(5.0)
+
+    # Middle mesh element should be 50% Fe56 and 50% H1
+    assert m2.get_mass_density('Fe56') == pytest.approx(2.5, rel=1e-2)
+    assert m2.get_mass_density('H1') == pytest.approx(0.5, rel=1e-2)
+
+    # Right mesh element should be only H1
+    assert m3.get_mass_density('H1') == pytest.approx(1.0)
+
+    mesh_void = openmc.RegularMesh()
+    mesh_void.lower_left = (0.5, 0.5, -1.)
+    mesh_void.upper_right = (1.5, 1.5, 1.)
+    mesh_void.dimension = (1, 1, 1)
+    m4, = mesh_void.get_homogenized_materials(model, n_samples=1_000_000)
+
+    # Mesh element that overlaps void should have half density
+    assert m4.get_mass_density('H1') == pytest.approx(0.5, rel=1e-2)

From cfe210da22367ce5cf928482e7b74e48c909a7ee Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 3 May 2024 13:30:49 -0500
Subject: [PATCH 2084/2654] Allow MeshSource to take a 1D array of sources
 (#2980)

---
 openmc/source.py                     | 51 ++++++++++++++--------------
 tests/unit_tests/test_source_mesh.py |  9 ++---
 2 files changed, 28 insertions(+), 32 deletions(-)

diff --git a/openmc/source.py b/openmc/source.py
index a77ca8b04..5deb6b05f 100644
--- a/openmc/source.py
+++ b/openmc/source.py
@@ -399,20 +399,19 @@ class MeshSource(SourceBase):
     ----------
     mesh : openmc.MeshBase
         The mesh over which source sites will be generated.
-    sources : iterable of openmc.SourceBase
-        Sources for each element in the mesh. If spatial distributions are set
-        on any of the source objects, they will be ignored during source site
-        sampling.
+    sources : sequence of openmc.SourceBase
+        Sources for each element in the mesh. Sources must be specified as
+        either a 1-D array in the order of the mesh indices or a
+        multidimensional array whose shape matches the mesh shape. If spatial
+        distributions are set on any of the source objects, they will be ignored
+        during source site sampling.
 
     Attributes
     ----------
     mesh : openmc.MeshBase
         The mesh over which source sites will be generated.
-    sources : numpy.ndarray or iterable of openmc.SourceBase
-        The set of sources to apply to each element. The shape of this array
-        must match the shape of the mesh with and exception in the case of
-        unstructured mesh, which allows for application of 1-D array or
-        iterable.
+    sources : numpy.ndarray of openmc.SourceBase
+        Sources to apply to each element
     strength : float
         Strength of the source
     type : str
@@ -433,7 +432,7 @@ class MeshSource(SourceBase):
 
     @property
     def strength(self) -> float:
-        return sum(s.strength for s in self.sources.flat)
+        return sum(s.strength for s in self.sources)
 
     @property
     def sources(self) -> np.ndarray:
@@ -450,16 +449,23 @@ class MeshSource(SourceBase):
 
         s = np.asarray(s)
 
-        if isinstance(self.mesh, StructuredMesh) and s.shape != self.mesh.dimension:
-            raise ValueError('The shape of the source array'
-                             f'({s.shape}) does not match the '
-                             f'dimensions of the structured mesh ({self.mesh.dimension})')
+        if isinstance(self.mesh, StructuredMesh):
+            if s.size != self.mesh.num_mesh_cells:
+                raise ValueError(
+                    f'The length of the source array ({s.size}) does not match '
+                    f'the number of mesh elements ({self.mesh.num_mesh_cells}).')
+
+            # If user gave a multidimensional array, flatten in the order
+            # of the mesh indices
+            if s.ndim > 1:
+                s = s.ravel(order='F')
+
         elif isinstance(self.mesh, UnstructuredMesh):
-            if len(s.shape) > 1:
+            if s.ndim > 1:
                 raise ValueError('Sources must be a 1-D array for unstructured mesh')
 
         self._sources = s
-        for src in self._sources.flat:
+        for src in self._sources:
             if isinstance(src, IndependentSource) and src.space is not None:
                 warnings.warn('Some sources on the mesh have spatial '
                               'distributions that will be ignored at runtime.')
@@ -481,7 +487,7 @@ class MeshSource(SourceBase):
         """
         current_strength = self.strength if self.strength != 0.0 else 1.0
 
-        for s in self.sources.flat:
+        for s in self.sources:
             s.strength *= strength / current_strength
 
     def normalize_source_strengths(self):
@@ -500,13 +506,8 @@ class MeshSource(SourceBase):
         elem.set("mesh", str(self.mesh.id))
 
         # write in the order of mesh indices
-        if isinstance(self.mesh, openmc.UnstructuredMesh):
-            for s in self.sources:
-                elem.append(s.to_xml_element())
-        else:
-            for idx in self.mesh.indices:
-                idx = tuple(i - 1 for i in idx)
-                elem.append(self.sources[idx].to_xml_element())
+        for s in self.sources:
+            elem.append(s.to_xml_element())
 
     @classmethod
     def from_xml_element(cls, elem: ET.Element, meshes) -> openmc.MeshSource:
@@ -527,11 +528,9 @@ class MeshSource(SourceBase):
             MeshSource generated from the XML element
         """
         mesh_id = int(get_text(elem, 'mesh'))
-
         mesh = meshes[mesh_id]
 
         sources = [SourceBase.from_xml_element(e) for e in elem.iterchildren('source')]
-        sources = np.asarray(sources).reshape(mesh.dimension, order='F')
         return cls(mesh, sources)
 
 
diff --git a/tests/unit_tests/test_source_mesh.py b/tests/unit_tests/test_source_mesh.py
index f0813d2f9..43bb1678c 100644
--- a/tests/unit_tests/test_source_mesh.py
+++ b/tests/unit_tests/test_source_mesh.py
@@ -276,12 +276,12 @@ def test_mesh_source_independent(run_in_tmpdir, void_model, mesh_type):
     # for each element, set a single-non zero source with particles
     # traveling out of the mesh (and geometry) w/o crossing any other
     # mesh elements
-    for i, j, k in mesh.indices:
+    for flat_index, (i, j, k) in enumerate(mesh.indices):
         ijk = (i-1, j-1, k-1)
         # zero-out all source strengths and set the strength
         # on the element of interest
         mesh_source.strength = 0.0
-        mesh_source.sources[ijk].strength = 1.0
+        mesh_source.sources[flat_index].strength = 1.0
 
         sp_file = model.run()
 
@@ -375,10 +375,7 @@ def test_mesh_source_file(run_in_tmpdir):
     mesh.upper_right = (2, 3, 4)
     mesh.dimension = (1, 1, 1)
 
-    mesh_source_arr = np.asarray([file_source]).reshape(mesh.dimension)
-    source = openmc.MeshSource(mesh, mesh_source_arr)
-
-    model.settings.source = source
+    model.settings.source = openmc.MeshSource(mesh, [file_source])
 
     model.export_to_model_xml()
 

From a7d6939c11a2d905d0aab3c57a97cd82e7018b3a Mon Sep 17 00:00:00 2001
From: April Novak <novak@berkeley.edu>
Date: Tue, 14 May 2024 01:47:11 -0500
Subject: [PATCH 2085/2654] Fixes reordering in random ray. Refs #2997 (#2998)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 include/openmc/random_ray/random_ray.h | 6 +++---
 src/random_ray/random_ray.cpp          | 6 +++---
 2 files changed, 6 insertions(+), 6 deletions(-)

diff --git a/include/openmc/random_ray/random_ray.h b/include/openmc/random_ray/random_ray.h
index c114007c6..5ee64574e 100644
--- a/include/openmc/random_ray/random_ray.h
+++ b/include/openmc/random_ray/random_ray.h
@@ -38,14 +38,14 @@ public:
   // Public data members
   vector<float> angular_flux_;
 
+private:
   //----------------------------------------------------------------------------
   // Private data members
-private:
+  vector<float> delta_psi_;
+  int negroups_;
   FlatSourceDomain* domain_ {nullptr}; // pointer to domain that has flat source
                                        // data needed for ray transport
-  vector<float> delta_psi_;
   double distance_travelled_ {0};
-  int negroups_;
   bool is_active_ {false};
   bool is_alive_ {true};
 }; // class RandomRay
diff --git a/src/random_ray/random_ray.cpp b/src/random_ray/random_ray.cpp
index f471c7551..63d728cce 100644
--- a/src/random_ray/random_ray.cpp
+++ b/src/random_ray/random_ray.cpp
@@ -70,9 +70,9 @@ double RandomRay::distance_active_;
 unique_ptr<Source> RandomRay::ray_source_;
 
 RandomRay::RandomRay()
-  : negroups_(data::mg.num_energy_groups_),
-    angular_flux_(data::mg.num_energy_groups_),
-    delta_psi_(data::mg.num_energy_groups_)
+  : angular_flux_(data::mg.num_energy_groups_),
+    delta_psi_(data::mg.num_energy_groups_),
+    negroups_(data::mg.num_energy_groups_)
 {}
 
 RandomRay::RandomRay(uint64_t ray_id, FlatSourceDomain* domain) : RandomRay()

From 1702b4554bfb1a7f19cc2b9f1318edeb0f7ad0d2 Mon Sep 17 00:00:00 2001
From: Erik B Knudsen <erik.knudsen@copenhagenatomics.com>
Date: Wed, 15 May 2024 22:49:04 +0200
Subject: [PATCH 2086/2654] Restricted file source (#2916)

Co-authored-by: church89 <l.chierici89@gmail.com>
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 docs/source/io_formats/settings.rst           |  38 +-
 docs/source/usersguide/settings.rst           |  48 +++
 examples/assembly/assembly.py                 |   9 +-
 .../pincell_depletion/restart_depletion.py    |   5 +-
 examples/pincell_depletion/run_depletion.py   |   5 +-
 include/openmc/distribution_spatial.h         |   5 +
 include/openmc/source.h                       |  90 ++++-
 openmc/examples.py                            |  12 +-
 openmc/source.py                              | 328 +++++++++++++-----
 openmc/stats/multivariate.py                  |  11 +
 src/distribution_spatial.cpp                  |   7 +-
 src/simulation.cpp                            |   4 +-
 src/source.cpp                                | 304 +++++++++++-----
 .../asymmetric_lattice/inputs_true.dat        |   5 +-
 .../asymmetric_lattice/test.py                |   6 +-
 .../mg_temperature_multi/inputs_true.dat      |   5 +-
 .../mg_temperature_multi/test.py              |   5 +-
 .../mgxs_library_ce_to_mg/inputs_true.dat     |   5 +-
 .../inputs_true.dat                           |   5 +-
 .../mgxs_library_condense/inputs_true.dat     |   5 +-
 .../mgxs_library_correction/inputs_true.dat   |   5 +-
 .../mgxs_library_distribcell/inputs_true.dat  |   5 +-
 .../mgxs_library_hdf5/inputs_true.dat         |   5 +-
 .../mgxs_library_histogram/inputs_true.dat    |   5 +-
 .../mgxs_library_no_nuclides/inputs_true.dat  |   5 +-
 .../mgxs_library_nuclides/inputs_true.dat     |   5 +-
 .../inputs_true.dat                           |   5 +-
 .../surface_tally/inputs_true.dat             |   5 +-
 tests/regression_tests/surface_tally/test.py  |   6 +-
 tests/unit_tests/test_lib.py                  |   6 +-
 tests/unit_tests/test_model.py                |   6 +-
 tests/unit_tests/test_source.py               | 103 +++++-
 32 files changed, 823 insertions(+), 240 deletions(-)

diff --git a/docs/source/io_formats/settings.rst b/docs/source/io_formats/settings.rst
index 6318a9916..ae3266dab 100644
--- a/docs/source/io_formats/settings.rst
+++ b/docs/source/io_formats/settings.rst
@@ -534,8 +534,9 @@ attributes/sub-elements:
     *Default*: 1.0
 
   :type:
-    Indicator of source type. One of ``independent``, ``file``, ``compiled``, or ``mesh``.
-    The type of the source will be determined by this attribute if it is present.
+    Indicator of source type. One of ``independent``, ``file``, ``compiled``, or
+    ``mesh``. The type of the source will be determined by this attribute if it
+    is present.
 
   :particle:
     The source particle type, either ``neutron`` or ``photon``.
@@ -716,6 +717,39 @@ attributes/sub-elements:
     mesh element and follows the format for :ref:`source_element`. The number of
     ``<source>`` sub-elements should correspond to the number of mesh elements.
 
+  :constraints:
+    This sub-element indicates the presence of constraints on sampled source
+    sites (see :ref:`usersguide_source_constraints` for details). It may have
+    the following sub-elements:
+
+    :domain_ids:
+      The unique IDs of domains for which source sites must be within.
+
+      *Default*: None
+
+    :domain_type:
+      The type of each domain for source rejection ("cell", "material", or
+      "universe").
+
+      *Default*: None
+
+    :fissionable:
+      A boolean indicating whether source sites must be sampled within a
+      material that is fissionable in order to be accepted.
+
+    :time_bounds:
+      A pair of times in [s] indicating the lower and upper bound for a time
+      interval that source particles must be within.
+
+    :energy_bounds:
+      A pair of energies in [eV] indicating the lower and upper bound for an
+      energy interval that source particles must be within.
+
+    :rejection_strategy:
+      Either "resample", indicating that source sites should be resampled when
+      one is rejected, or "kill", indicating that a rejected source site is
+      assigned zero weight.
+
 .. _univariate:
 
 Univariate Probability Distributions
diff --git a/docs/source/usersguide/settings.rst b/docs/source/usersguide/settings.rst
index e966423f0..eb02f654c 100644
--- a/docs/source/usersguide/settings.rst
+++ b/docs/source/usersguide/settings.rst
@@ -420,6 +420,54 @@ string, which gets passed down to the ``openmc_create_source()`` function::
 
   settings.source = openmc.CompiledSource('libsource.so', '3.5e6')
 
+.. _usersguide_source_constraints:
+
+Source Constraints
+------------------
+
+All source classes in OpenMC have the ability to apply a set of "constraints"
+that limit which sampled source sites are actually used for transport. The most
+common use case is to sample source sites over some simple spatial distribution
+(e.g., uniform over a box) and then only accept those that appear in a given
+cell or material. This can be done with a domain constraint, which can be
+specified as follows::
+
+  source_cell = openmc.Cell(...)
+  ...
+
+  spatial_dist = openmc.stats.Box((-10., -10., -10.), (10., 10., 10.))
+  source = openmc.IndependentSource(
+      space=spatial_dist,
+      constraints={'domains': [source_cell]}
+  )
+
+For k-eigenvalue problems, a convenient constraint is available that limits
+source sites to those sampled in a fissionable material::
+
+  source = openmc.IndependentSource(
+      space=spatial_dist, constraints={'fissionable': True}
+  )
+
+Constraints can also be placed on a range of energies or times::
+
+  # Only use source sites between 500 keV and 1 MeV and with times under 1 sec
+  source = openmc.FileSource(
+      'source.h5',
+      constraints={'energy_bounds': [500.0e3, 1.0e6], 'time_bounds': [0.0, 1.0]}
+  )
+
+Normally, when a source site is rejected, a new one will be resampled until one
+is found that meets the constraints. However, the rejection strategy can be
+changed so that a rejected site will just not be simulated by specifying::
+
+  source = openmc.IndependentSource(
+      space=spatial_dist,
+      constraints={'domains': [cell], 'rejection_strategy': 'kill'}
+  )
+
+In this case, the actual number of particles simulated may be less than what you
+specified in :attr:`Settings.particles`.
+
 .. _usersguide_entropy:
 
 ---------------
diff --git a/examples/assembly/assembly.py b/examples/assembly/assembly.py
index a370a3611..d94cb69bf 100644
--- a/examples/assembly/assembly.py
+++ b/examples/assembly/assembly.py
@@ -112,11 +112,10 @@ def assembly_model():
     model.settings.batches = 150
     model.settings.inactive = 50
     model.settings.particles = 1000
-    model.settings.source = openmc.IndependentSource(space=openmc.stats.Box(
-        (-pitch/2, -pitch/2, -1),
-        (pitch/2, pitch/2, 1),
-        only_fissionable=True
-    ))
+    model.settings.source = openmc.IndependentSource(
+        space=openmc.stats.Box((-pitch/2, -pitch/2, -1), (pitch/2, pitch/2, 1)),
+        constraints={'fissionable': True}
+    )
 
     # NOTE: We never actually created a Materials object. When you export/run
     # using the Model object, if no materials were assigned it will look through
diff --git a/examples/pincell_depletion/restart_depletion.py b/examples/pincell_depletion/restart_depletion.py
index ac065d340..de9fc16cb 100644
--- a/examples/pincell_depletion/restart_depletion.py
+++ b/examples/pincell_depletion/restart_depletion.py
@@ -26,8 +26,9 @@ settings.particles = 10000
 
 # Create an initial uniform spatial source distribution over fissionable zones
 bounds = [-0.62992, -0.62992, -1, 0.62992, 0.62992, 1]
-uniform_dist = openmc.stats.Box(bounds[:3], bounds[3:], only_fissionable=True)
-settings.source = openmc.IndependentSource(space=uniform_dist)
+uniform_dist = openmc.stats.Box(bounds[:3], bounds[3:])
+settings.source = openmc.IndependentSource(
+    space=uniform_dist, constraints={'fissionable': True})
 
 entropy_mesh = openmc.RegularMesh()
 entropy_mesh.lower_left = [-0.39218, -0.39218, -1.e50]
diff --git a/examples/pincell_depletion/run_depletion.py b/examples/pincell_depletion/run_depletion.py
index e1959938f..013c83c86 100644
--- a/examples/pincell_depletion/run_depletion.py
+++ b/examples/pincell_depletion/run_depletion.py
@@ -71,8 +71,9 @@ settings.particles = 1000
 
 # Create an initial uniform spatial source distribution over fissionable zones
 bounds = [-0.62992, -0.62992, -1, 0.62992, 0.62992, 1]
-uniform_dist = openmc.stats.Box(bounds[:3], bounds[3:], only_fissionable=True)
-settings.source = openmc.IndependentSource(space=uniform_dist)
+uniform_dist = openmc.stats.Box(bounds[:3], bounds[3:])
+settings.source = openmc.IndependentSource(
+    space=uniform_dist, constraints={'fissionable': True})
 
 entropy_mesh = openmc.RegularMesh()
 entropy_mesh.lower_left = [-0.39218, -0.39218, -1.e50]
diff --git a/include/openmc/distribution_spatial.h b/include/openmc/distribution_spatial.h
index bd10a2996..28568c890 100644
--- a/include/openmc/distribution_spatial.h
+++ b/include/openmc/distribution_spatial.h
@@ -116,6 +116,11 @@ public:
   //! \return Sampled element index and position within that element
   std::pair<int32_t, Position> sample_mesh(uint64_t* seed) const;
 
+  //! Sample a mesh element
+  //! \param seed Pseudorandom number seed pointer
+  //! \return Sampled element index
+  int32_t sample_element_index(uint64_t* seed) const;
+
   //! For unstructured meshes, ensure that elements are all linear tetrahedra
   void check_element_types() const;
 
diff --git a/include/openmc/source.h b/include/openmc/source.h
index d5ea9bd1d..9ef8b9251 100644
--- a/include/openmc/source.h
+++ b/include/openmc/source.h
@@ -4,6 +4,7 @@
 #ifndef OPENMC_SOURCE_H
 #define OPENMC_SOURCE_H
 
+#include <limits>
 #include <unordered_set>
 
 #include "pugixml.hpp"
@@ -39,19 +40,72 @@ extern vector<unique_ptr<Source>> external_sources;
 
 //==============================================================================
 //! Abstract source interface
+//
+//! The Source class provides the interface that must be implemented by derived
+//! classes, namely the sample() method that returns a sampled source site. From
+//! this base class, source rejection is handled within the
+//! sample_with_constraints() method. However, note that some classes directly
+//! check for constraints for efficiency reasons (like IndependentSource), in
+//! which case the constraints_applied() method indicates that constraints
+//! should not be checked a second time from the base class.
 //==============================================================================
 
 class Source {
 public:
+  // Constructors, destructors
+  Source() = default;
+  explicit Source(pugi::xml_node node);
   virtual ~Source() = default;
 
-  // Methods that must be implemented
+  // Methods that can be overridden
+  virtual double strength() const { return strength_; }
+
+  //! Sample a source site and apply constraints
+  //
+  //! \param[inout] seed Pseudorandom seed pointer
+  //! \return Sampled site
+  SourceSite sample_with_constraints(uint64_t* seed) const;
+
+  //! Sample a source site (without applying constraints)
+  //
+  //! Sample from the external source distribution
+  //! \param[inout] seed Pseudorandom seed pointer
+  //! \return Sampled site
   virtual SourceSite sample(uint64_t* seed) const = 0;
 
-  // Methods that can be overridden
-  virtual double strength() const { return 1.0; }
-
   static unique_ptr<Source> create(pugi::xml_node node);
+
+protected:
+  // Domain types
+  enum class DomainType { UNIVERSE, MATERIAL, CELL };
+
+  // Strategy used for rejecting sites when constraints are applied. KILL means
+  // that sites are always accepted but if they don't satisfy constraints, they
+  // are given weight 0. RESAMPLE means that a new source site will be sampled
+  // until constraints are met.
+  enum class RejectionStrategy { KILL, RESAMPLE };
+
+  // Indicates whether derived class already handles constraints
+  virtual bool constraints_applied() const { return false; }
+
+  // Methods for constraints
+  void read_constraints(pugi::xml_node node);
+  bool satisfies_spatial_constraints(Position r) const;
+  bool satisfies_energy_constraints(double E) const;
+  bool satisfies_time_constraints(double time) const;
+
+  // Data members
+  double strength_ {1.0};                  //!< Source strength
+  std::unordered_set<int32_t> domain_ids_; //!< Domains to reject from
+  DomainType domain_type_;                 //!< Domain type for rejection
+  std::pair<double, double> time_bounds_ {-std::numeric_limits<double>::max(),
+    std::numeric_limits<double>::max()}; //!< time limits
+  std::pair<double, double> energy_bounds_ {
+    0, std::numeric_limits<double>::max()}; //!< energy limits
+  bool only_fissionable_ {
+    false}; //!< Whether site must be in fissionable material
+  RejectionStrategy rejection_strategy_ {
+    RejectionStrategy::RESAMPLE}; //!< Procedure for rejecting
 };
 
 //==============================================================================
@@ -73,7 +127,6 @@ public:
 
   // Properties
   ParticleType particle_type() const { return particle_; }
-  double strength() const override { return strength_; }
 
   // Make observing pointers available
   SpatialDistribution* space() const { return space_.get(); }
@@ -81,19 +134,17 @@ public:
   Distribution* energy() const { return energy_.get(); }
   Distribution* time() const { return time_.get(); }
 
-private:
-  // Domain types
-  enum class DomainType { UNIVERSE, MATERIAL, CELL };
+protected:
+  // Indicates whether derived class already handles constraints
+  bool constraints_applied() const override { return true; }
 
+private:
   // Data members
   ParticleType particle_ {ParticleType::neutron}; //!< Type of particle emitted
-  double strength_ {1.0};                         //!< Source strength
   UPtrSpace space_;                               //!< Spatial distribution
   UPtrAngle angle_;                               //!< Angular distribution
   UPtrDist energy_;                               //!< Energy distribution
   UPtrDist time_;                                 //!< Time distribution
-  DomainType domain_type_;                        //!< Domain type for rejection
-  std::unordered_set<int32_t> domain_ids_;        //!< Domains to reject from
 };
 
 //==============================================================================
@@ -107,9 +158,12 @@ public:
   explicit FileSource(const std::string& path);
 
   // Methods
-  SourceSite sample(uint64_t* seed) const override;
   void load_sites_from_file(
     const std::string& path); //!< Load source sites from file
+
+protected:
+  SourceSite sample(uint64_t* seed) const override;
+
 private:
   vector<SourceSite> sites_; //!< Source sites from a file
 };
@@ -124,16 +178,17 @@ public:
   CompiledSourceWrapper(pugi::xml_node node);
   ~CompiledSourceWrapper();
 
+  double strength() const override { return compiled_source_->strength(); }
+
+  void setup(const std::string& path, const std::string& parameters);
+
+protected:
   // Defer implementation to custom source library
   SourceSite sample(uint64_t* seed) const override
   {
     return compiled_source_->sample(seed);
   }
 
-  double strength() const override { return compiled_source_->strength(); }
-
-  void setup(const std::string& path, const std::string& parameters);
-
 private:
   void* shared_library_; //!< library from dlopen
   unique_ptr<Source> compiled_source_;
@@ -164,6 +219,9 @@ public:
     return sources_.size() == 1 ? sources_[0] : sources_[i];
   }
 
+protected:
+  bool constraints_applied() const override { return true; }
+
 private:
   // Data members
   unique_ptr<MeshSpatial> space_;           //!< Mesh spatial
diff --git a/openmc/examples.py b/openmc/examples.py
index cef86a47a..fc94b8b52 100644
--- a/openmc/examples.py
+++ b/openmc/examples.py
@@ -76,8 +76,10 @@ def pwr_pin_cell():
     model.settings.batches = 10
     model.settings.inactive = 5
     model.settings.particles = 100
-    model.settings.source = openmc.IndependentSource(space=openmc.stats.Box(
-        [-pitch/2, -pitch/2, -1], [pitch/2, pitch/2, 1], only_fissionable=True))
+    model.settings.source = openmc.IndependentSource(
+        space=openmc.stats.Box([-pitch/2, -pitch/2, -1], [pitch/2, pitch/2, 1]),
+        constraints={'fissionable': True}
+    )
 
     plot = openmc.Plot.from_geometry(model.geometry)
     plot.pixels = (300, 300)
@@ -527,8 +529,10 @@ def pwr_assembly():
     model.settings.batches = 10
     model.settings.inactive = 5
     model.settings.particles = 100
-    model.settings.source = openmc.IndependentSource(space=openmc.stats.Box(
-        [-pitch/2, -pitch/2, -1], [pitch/2, pitch/2, 1], only_fissionable=True))
+    model.settings.source = openmc.IndependentSource(
+        space=openmc.stats.Box([-pitch/2, -pitch/2, -1], [pitch/2, pitch/2, 1]),
+        constraints={'fissionable': True}
+    )
 
     plot = openmc.Plot()
     plot.origin = (0.0, 0.0, 0)
diff --git a/openmc/source.py b/openmc/source.py
index 5deb6b05f..91318f8e9 100644
--- a/openmc/source.py
+++ b/openmc/source.py
@@ -6,7 +6,7 @@ from numbers import Real
 import warnings
 import typing  # imported separately as py3.8 requires typing.Iterable
 # also required to prevent typing.Union namespace overwriting Union
-from typing import Optional, Sequence
+from typing import Optional, Sequence, Dict, Any
 
 import lxml.etree as ET
 import numpy as np
@@ -28,6 +28,19 @@ class SourceBase(ABC):
     ----------
     strength : float
         Strength of the source
+    constraints : dict
+        Constraints on sampled source particles. Valid keys include 'domains',
+        'time_bounds', 'energy_bounds', 'fissionable', and 'rejection_strategy'.
+        For 'domains', the corresponding value is an iterable of
+        :class:`openmc.Cell`, :class:`openmc.Material`, or
+        :class:`openmc.Universe` for which sampled sites must be within. For
+        'time_bounds' and 'energy_bounds', the corresponding value is a sequence
+        of floats giving the lower and upper bounds on time in [s] or energy in
+        [eV] that the sampled particle must be within. For 'fissionable', the
+        value is a bool indicating that only sites in fissionable material
+        should be accepted. The 'rejection_strategy' indicates what should
+        happen when a source particle is rejected: either 'resample' (pick a new
+        particle) or 'kill' (accept and terminate).
 
     Attributes
     ----------
@@ -35,11 +48,20 @@ class SourceBase(ABC):
         Indicator of source type.
     strength : float
         Strength of the source
+    constraints : dict
+        Constraints on sampled source particles. Valid keys include
+        'domain_type', 'domain_ids', 'time_bounds', 'energy_bounds',
+        'fissionable', and 'rejection_strategy'.
 
     """
 
-    def __init__(self, strength=1.0):
+    def __init__(
+        self,
+        strength: Optional[float] = 1.0,
+        constraints: Optional[Dict[str, Any]] = None
+    ):
         self.strength = strength
+        self.constraints = constraints
 
     @property
     def strength(self):
@@ -47,10 +69,47 @@ class SourceBase(ABC):
 
     @strength.setter
     def strength(self, strength):
-        cv.check_type('source strength', strength, Real)
-        cv.check_greater_than('source strength', strength, 0.0, True)
+        cv.check_type('source strength', strength, Real, none_ok=True)
+        if strength is not None:
+            cv.check_greater_than('source strength', strength, 0.0, True)
         self._strength = strength
 
+    @property
+    def constraints(self) -> Dict[str, Any]:
+        return self._constraints
+
+    @constraints.setter
+    def constraints(self, constraints: Optional[Dict[str, Any]]):
+        self._constraints = {}
+        if constraints is None:
+            return
+
+        for key, value in constraints.items():
+            if key == 'domains':
+                cv.check_type('domains', value, Iterable,
+                              (openmc.Cell, openmc.Material, openmc.Universe))
+                if isinstance(value[0], openmc.Cell):
+                    self._constraints['domain_type'] = 'cell'
+                elif isinstance(value[0], openmc.Material):
+                    self._constraints['domain_type'] = 'material'
+                elif isinstance(value[0], openmc.Universe):
+                    self._constraints['domain_type'] = 'universe'
+                self._constraints['domain_ids'] = [d.id for d in value]
+            elif key == 'time_bounds':
+                cv.check_type('time bounds', value, Iterable, Real)
+                self._constraints['time_bounds'] = tuple(value)
+            elif key == 'energy_bounds':
+                cv.check_type('energy bounds', value, Iterable, Real)
+                self._constraints['energy_bounds'] = tuple(value)
+            elif key == 'fissionable':
+                cv.check_type('fissionable', value, bool)
+                self._constraints['fissionable'] = value
+            elif key == 'rejection_strategy':
+                cv.check_value('rejection strategy', value, ('resample', 'kill'))
+                self._constraints['rejection_strategy'] = value
+            else:
+                raise ValueError('Unknown key in constraints dictionary: {key}')
+
     @abstractmethod
     def populate_xml_element(self, element):
         """Add necessary source information to an XML element
@@ -73,8 +132,30 @@ class SourceBase(ABC):
         """
         element = ET.Element("source")
         element.set("type", self.type)
-        element.set("strength", str(self.strength))
+        if self.strength is not None:
+            element.set("strength", str(self.strength))
         self.populate_xml_element(element)
+        constraints = self.constraints
+        if constraints:
+            constraints_elem = ET.SubElement(element, "constraints")
+            if "domain_ids" in constraints:
+                dt_elem = ET.SubElement(constraints_elem, "domain_type")
+                dt_elem.text = constraints["domain_type"]
+                id_elem = ET.SubElement(constraints_elem, "domain_ids")
+                id_elem.text = ' '.join(str(uid) for uid in constraints["domain_ids"])
+            if "time_bounds" in constraints:
+                dt_elem = ET.SubElement(constraints_elem, "time_bounds")
+                dt_elem.text = ' '.join(str(t) for t in constraints["time_bounds"])
+            if "energy_bounds" in constraints:
+                dt_elem = ET.SubElement(constraints_elem, "energy_bounds")
+                dt_elem.text = ' '.join(str(E) for E in constraints["energy_bounds"])
+            if "fissionable" in constraints:
+                dt_elem = ET.SubElement(constraints_elem, "fissionable")
+                dt_elem.text = str(constraints["fissionable"]).lower()
+            if "rejection_strategy" in constraints:
+                dt_elem = ET.SubElement(constraints_elem, "rejection_strategy")
+                dt_elem.text = constraints["rejection_strategy"]
+
         return element
 
     @classmethod
@@ -118,6 +199,47 @@ class SourceBase(ABC):
             else:
                 raise ValueError(f'Source type {source_type} is not recognized')
 
+    @staticmethod
+    def _get_constraints(elem: ET.Element) -> Dict[str, Any]:
+        # Find element containing constraints
+        constraints_elem = elem.find("constraints")
+        elem = constraints_elem if constraints_elem is not None else elem
+
+        constraints = {}
+        domain_type = get_text(elem, "domain_type")
+        if domain_type is not None:
+            domain_ids = [int(x) for x in get_text(elem, "domain_ids").split()]
+
+            # Instantiate some throw-away domains that are used by the
+            # constructor to assign IDs
+            with warnings.catch_warnings():
+                warnings.simplefilter('ignore', openmc.IDWarning)
+                if domain_type == 'cell':
+                    domains = [openmc.Cell(uid) for uid in domain_ids]
+                elif domain_type == 'material':
+                    domains = [openmc.Material(uid) for uid in domain_ids]
+                elif domain_type == 'universe':
+                    domains = [openmc.Universe(uid) for uid in domain_ids]
+            constraints['domains'] = domains
+
+        time_bounds = get_text(elem, "time_bounds")
+        if time_bounds is not None:
+            constraints['time_bounds'] = [float(x) for x in time_bounds.split()]
+
+        energy_bounds = get_text(elem, "energy_bounds")
+        if energy_bounds is not None:
+            constraints['energy_bounds'] = [float(x) for x in energy_bounds.split()]
+
+        fissionable = get_text(elem, "fissionable")
+        if fissionable is not None:
+            constraints['fissionable'] = fissionable in ('true', '1')
+
+        rejection_strategy = get_text(elem, "rejection_strategy")
+        if rejection_strategy is not None:
+            constraints['rejection_strategy'] = rejection_strategy
+
+        return constraints
+
 
 class IndependentSource(SourceBase):
     """Distribution of phase space coordinates for source sites.
@@ -142,6 +264,22 @@ class IndependentSource(SourceBase):
         Domains to reject based on, i.e., if a sampled spatial location is not
         within one of these domains, it will be rejected.
 
+        .. deprecated:: 0.14.1
+            Use the `constraints` argument instead.
+    constraints : dict
+        Constraints on sampled source particles. Valid keys include 'domains',
+        'time_bounds', 'energy_bounds', 'fissionable', and 'rejection_strategy'.
+        For 'domains', the corresponding value is an iterable of
+        :class:`openmc.Cell`, :class:`openmc.Material`, or
+        :class:`openmc.Universe` for which sampled sites must be within. For
+        'time_bounds' and 'energy_bounds', the corresponding value is a sequence
+        of floats giving the lower and upper bounds on time in [s] or energy in
+        [eV] that the sampled particle must be within. For 'fissionable', the
+        value is a bool indicating that only sites in fissionable material
+        should be accepted. The 'rejection_strategy' indicates what should
+        happen when a source particle is rejected: either 'resample' (pick a new
+        particle) or 'kill' (accept and terminate).
+
     Attributes
     ----------
     space : openmc.stats.Spatial or None
@@ -161,10 +299,10 @@ class IndependentSource(SourceBase):
 
     particle : {'neutron', 'photon'}
         Source particle type
-    ids : Iterable of int
-        IDs of domains to use for rejection
-    domain_type : {'cell', 'material', 'universe'}
-        Type of domain to use for rejection
+    constraints : dict
+        Constraints on sampled source particles. Valid keys include
+        'domain_type', 'domain_ids', 'time_bounds', 'energy_bounds',
+        'fissionable', and 'rejection_strategy'.
 
     """
 
@@ -176,9 +314,15 @@ class IndependentSource(SourceBase):
         time: Optional[openmc.stats.Univariate] = None,
         strength: float = 1.0,
         particle: str = 'neutron',
-        domains: Optional[Sequence[typing.Union[openmc.Cell, openmc.Material, openmc.Universe]]] = None
+        domains: Optional[Sequence[typing.Union[openmc.Cell, openmc.Material, openmc.Universe]]] = None,
+        constraints: Optional[Dict[str, Any]] = None
     ):
-        super().__init__(strength)
+        if domains is not None:
+            warnings.warn("The 'domains' arguments has been replaced by the "
+                          "'constraints' argument.", FutureWarning)
+            constraints = {'domains': domains}
+
+        super().__init__(strength=strength, constraints=constraints)
 
         self._space = None
         self._angle = None
@@ -193,20 +337,8 @@ class IndependentSource(SourceBase):
             self.energy = energy
         if time is not None:
             self.time = time
-        self.strength = strength
         self.particle = particle
 
-        self._domain_ids = []
-        self._domain_type = None
-        if domains is not None:
-            if isinstance(domains[0], openmc.Cell):
-                self.domain_type = 'cell'
-            elif isinstance(domains[0], openmc.Material):
-                self.domain_type = 'material'
-            elif isinstance(domains[0], openmc.Universe):
-                self.domain_type = 'universe'
-            self.domain_ids = [d.id for d in domains]
-
     @property
     def type(self) -> str:
         return 'independent'
@@ -273,24 +405,6 @@ class IndependentSource(SourceBase):
         cv.check_value('source particle', particle, ['neutron', 'photon'])
         self._particle = particle
 
-    @property
-    def domain_ids(self):
-        return self._domain_ids
-
-    @domain_ids.setter
-    def domain_ids(self, ids):
-        cv.check_type('domain IDs', ids, Iterable, Real)
-        self._domain_ids = ids
-
-    @property
-    def domain_type(self):
-        return self._domain_type
-
-    @domain_type.setter
-    def domain_type(self, domain_type):
-        cv.check_value('domain type', domain_type, ('cell', 'material', 'universe'))
-        self._domain_type = domain_type
-
     def populate_xml_element(self, element):
         """Add necessary source information to an XML element
 
@@ -309,11 +423,6 @@ class IndependentSource(SourceBase):
             element.append(self.energy.to_xml_element('energy'))
         if self.time is not None:
             element.append(self.time.to_xml_element('time'))
-        if self.domain_ids:
-            dt_elem = ET.SubElement(element, "domain_type")
-            dt_elem.text = self.domain_type
-            id_elem = ET.SubElement(element, "domain_ids")
-            id_elem.text = ' '.join(str(uid) for uid in self.domain_ids)
 
     @classmethod
     def from_xml_element(cls, elem: ET.Element, meshes=None) -> SourceBase:
@@ -333,24 +442,8 @@ class IndependentSource(SourceBase):
             Source generated from XML element
 
         """
-        domain_type = get_text(elem, "domain_type")
-        if domain_type is not None:
-            domain_ids = [int(x) for x in get_text(elem, "domain_ids").split()]
-
-            # Instantiate some throw-away domains that are used by the
-            # constructor to assign IDs
-            with warnings.catch_warnings():
-                warnings.simplefilter('ignore', openmc.IDWarning)
-                if domain_type == 'cell':
-                    domains = [openmc.Cell(uid) for uid in domain_ids]
-                elif domain_type == 'material':
-                    domains = [openmc.Material(uid) for uid in domain_ids]
-                elif domain_type == 'universe':
-                    domains = [openmc.Universe(uid) for uid in domain_ids]
-        else:
-            domains = None
-
-        source = cls(domains=domains)
+        constraints = cls._get_constraints(elem)
+        source = cls(constraints=constraints)
 
         strength = get_text(elem, 'strength')
         if strength is not None:
@@ -360,10 +453,6 @@ class IndependentSource(SourceBase):
         if particle is not None:
             source.particle = particle
 
-        filename = get_text(elem, 'file')
-        if filename is not None:
-            source.file = filename
-
         space = elem.find('space')
         if space is not None:
             source.space = Spatial.from_xml_element(space, meshes)
@@ -405,6 +494,19 @@ class MeshSource(SourceBase):
         multidimensional array whose shape matches the mesh shape. If spatial
         distributions are set on any of the source objects, they will be ignored
         during source site sampling.
+    constraints : dict
+        Constraints on sampled source particles. Valid keys include 'domains',
+        'time_bounds', 'energy_bounds', 'fissionable', and 'rejection_strategy'.
+        For 'domains', the corresponding value is an iterable of
+        :class:`openmc.Cell`, :class:`openmc.Material`, or
+        :class:`openmc.Universe` for which sampled sites must be within. For
+        'time_bounds' and 'energy_bounds', the corresponding value is a sequence
+        of floats giving the lower and upper bounds on time in [s] or energy in
+        [eV] that the sampled particle must be within. For 'fissionable', the
+        value is a bool indicating that only sites in fissionable material
+        should be accepted. The 'rejection_strategy' indicates what should
+        happen when a source particle is rejected: either 'resample' (pick a new
+        particle) or 'kill' (accept and terminate).
 
     Attributes
     ----------
@@ -416,9 +518,19 @@ class MeshSource(SourceBase):
         Strength of the source
     type : str
         Indicator of source type: 'mesh'
+    constraints : dict
+        Constraints on sampled source particles. Valid keys include
+        'domain_type', 'domain_ids', 'time_bounds', 'energy_bounds',
+        'fissionable', and 'rejection_strategy'.
 
     """
-    def __init__(self, mesh: MeshBase, sources: Sequence[SourceBase]):
+    def __init__(
+            self,
+            mesh: MeshBase,
+            sources: Sequence[SourceBase],
+            constraints: Optional[Dict[str, Any]] = None,
+    ):
+        super().__init__(strength=None, constraints=constraints)
         self.mesh = mesh
         self.sources = sources
 
@@ -473,8 +585,9 @@ class MeshSource(SourceBase):
 
     @strength.setter
     def strength(self, val):
-        cv.check_type('mesh source strength', val, Real)
-        self.set_total_strength(val)
+        if val is not None:
+            cv.check_type('mesh source strength', val, Real)
+            self.set_total_strength(val)
 
     def set_total_strength(self, strength: float):
         """Scales the element source strengths based on a desired total strength.
@@ -531,7 +644,8 @@ class MeshSource(SourceBase):
         mesh = meshes[mesh_id]
 
         sources = [SourceBase.from_xml_element(e) for e in elem.iterchildren('source')]
-        return cls(mesh, sources)
+        constraints = cls._get_constraints(elem)
+        return cls(mesh, sources, constraints=constraints)
 
 
 def Source(*args, **kwargs):
@@ -556,6 +670,19 @@ class CompiledSource(SourceBase):
         Parameters to be provided to the compiled shared library function
     strength : float
         Strength of the source
+    constraints : dict
+        Constraints on sampled source particles. Valid keys include 'domains',
+        'time_bounds', 'energy_bounds', 'fissionable', and 'rejection_strategy'.
+        For 'domains', the corresponding value is an iterable of
+        :class:`openmc.Cell`, :class:`openmc.Material`, or
+        :class:`openmc.Universe` for which sampled sites must be within. For
+        'time_bounds' and 'energy_bounds', the corresponding value is a sequence
+        of floats giving the lower and upper bounds on time in [s] or energy in
+        [eV] that the sampled particle must be within. For 'fissionable', the
+        value is a bool indicating that only sites in fissionable material
+        should be accepted. The 'rejection_strategy' indicates what should
+        happen when a source particle is rejected: either 'resample' (pick a new
+        particle) or 'kill' (accept and terminate).
 
     Attributes
     ----------
@@ -567,10 +694,20 @@ class CompiledSource(SourceBase):
         Strength of the source
     type : str
         Indicator of source type: 'compiled'
+    constraints : dict
+        Constraints on sampled source particles. Valid keys include
+        'domain_type', 'domain_ids', 'time_bounds', 'energy_bounds',
+        'fissionable', and 'rejection_strategy'.
 
     """
-    def __init__(self, library: Optional[str] = None, parameters: Optional[str] = None, strength=1.0) -> None:
-        super().__init__(strength=strength)
+    def __init__(
+        self,
+        library: Optional[str] = None,
+        parameters: Optional[str] = None,
+        strength: float = 1.0,
+        constraints: Optional[Dict[str, Any]] = None
+    ) -> None:
+        super().__init__(strength=strength, constraints=constraints)
 
         self._library = None
         if library is not None:
@@ -634,9 +771,10 @@ class CompiledSource(SourceBase):
             Source generated from XML element
 
         """
-        library = get_text(elem, 'library')
+        kwargs = {'constraints': cls._get_constraints(elem)}
+        kwargs['library'] = get_text(elem, 'library')
 
-        source = cls(library)
+        source = cls(**kwargs)
 
         strength = get_text(elem, 'strength')
         if strength is not None:
@@ -660,6 +798,19 @@ class FileSource(SourceBase):
         Path to the source file from which sites should be sampled
     strength : float
         Strength of the source (default is 1.0)
+    constraints : dict
+        Constraints on sampled source particles. Valid keys include 'domains',
+        'time_bounds', 'energy_bounds', 'fissionable', and 'rejection_strategy'.
+        For 'domains', the corresponding value is an iterable of
+        :class:`openmc.Cell`, :class:`openmc.Material`, or
+        :class:`openmc.Universe` for which sampled sites must be within. For
+        'time_bounds' and 'energy_bounds', the corresponding value is a sequence
+        of floats giving the lower and upper bounds on time in [s] or energy in
+        [eV] that the sampled particle must be within. For 'fissionable', the
+        value is a bool indicating that only sites in fissionable material
+        should be accepted. The 'rejection_strategy' indicates what should
+        happen when a source particle is rejected: either 'resample' (pick a new
+        particle) or 'kill' (accept and terminate).
 
     Attributes
     ----------
@@ -669,13 +820,21 @@ class FileSource(SourceBase):
         Strength of the source
     type : str
         Indicator of source type: 'file'
+    constraints : dict
+        Constraints on sampled source particles. Valid keys include
+        'domain_type', 'domain_ids', 'time_bounds', 'energy_bounds',
+        'fissionable', and 'rejection_strategy'.
 
     """
-    def __init__(self, path: Optional[PathLike] = None, strength=1.0) -> None:
-        super().__init__(strength=strength)
 
+    def __init__(
+        self,
+        path: Optional[PathLike] = None,
+        strength: float = 1.0,
+        constraints: Optional[Dict[str, Any]] = None
+    ):
+        super().__init__(strength=strength, constraints=constraints)
         self._path = None
-
         if path is not None:
             self.path = path
 
@@ -722,16 +881,13 @@ class FileSource(SourceBase):
             Source generated from XML element
 
         """
-
-        filename = get_text(elem, 'file')
-
-        source = cls(filename)
-
+        kwargs = {'constraints': cls._get_constraints(elem)}
+        kwargs['path'] = get_text(elem, 'file')
         strength = get_text(elem, 'strength')
         if strength is not None:
-            source.strength = float(strength)
+            kwargs['strength'] = float(strength)
 
-        return source
+        return cls(**kwargs)
 
 
 class ParticleType(IntEnum):
diff --git a/openmc/stats/multivariate.py b/openmc/stats/multivariate.py
index 3922d601a..212083c3c 100644
--- a/openmc/stats/multivariate.py
+++ b/openmc/stats/multivariate.py
@@ -4,6 +4,7 @@ from abc import ABC, abstractmethod
 from collections.abc import Iterable
 from math import cos, pi
 from numbers import Real
+from warnings import warn
 
 import lxml.etree as ET
 import numpy as np
@@ -768,6 +769,9 @@ class Box(Spatial):
         Whether spatial sites should only be accepted if they occur in
         fissionable materials
 
+        .. deprecated:: 0.14.1
+            Use the `constraints` argument when defining a source object instead.
+
     Attributes
     ----------
     lower_left : Iterable of float
@@ -778,6 +782,9 @@ class Box(Spatial):
         Whether spatial sites should only be accepted if they occur in
         fissionable materials
 
+        .. deprecated:: 0.14.1
+            Use the `constraints` argument when defining a source object instead.
+
     """
 
     def __init__(
@@ -818,6 +825,10 @@ class Box(Spatial):
     def only_fissionable(self, only_fissionable):
         cv.check_type('only fissionable', only_fissionable, bool)
         self._only_fissionable = only_fissionable
+        if only_fissionable:
+            warn("The 'only_fissionable' has been deprecated. Use the "
+                 "'constraints' argument when defining a source instead.",
+                 FutureWarning)
 
     def to_xml_element(self):
         """Return XML representation of the box distribution
diff --git a/src/distribution_spatial.cpp b/src/distribution_spatial.cpp
index 8f34ea6b9..8dbd7d887 100644
--- a/src/distribution_spatial.cpp
+++ b/src/distribution_spatial.cpp
@@ -281,10 +281,15 @@ void MeshSpatial::check_element_types() const
   }
 }
 
+int32_t MeshSpatial::sample_element_index(uint64_t* seed) const
+{
+  return elem_idx_dist_.sample(seed);
+}
+
 std::pair<int32_t, Position> MeshSpatial::sample_mesh(uint64_t* seed) const
 {
   // Sample the CDF defined in initialization above
-  int32_t elem_idx = elem_idx_dist_.sample(seed);
+  int32_t elem_idx = this->sample_element_index(seed);
   return {elem_idx, mesh()->sample_element(elem_idx, seed)};
 }
 
diff --git a/src/simulation.cpp b/src/simulation.cpp
index 43d920606..527d98db4 100644
--- a/src/simulation.cpp
+++ b/src/simulation.cpp
@@ -750,7 +750,7 @@ void free_memory_simulation()
 
 void transport_history_based_single_particle(Particle& p)
 {
-  while (true) {
+  while (p.alive()) {
     p.event_calculate_xs();
     if (!p.alive())
       break;
@@ -761,8 +761,6 @@ void transport_history_based_single_particle(Particle& p)
       p.event_collide();
     }
     p.event_revive_from_secondary();
-    if (!p.alive())
-      break;
   }
   p.event_death();
 }
diff --git a/src/source.cpp b/src/source.cpp
index 5ddac7f42..405de998c 100644
--- a/src/source.cpp
+++ b/src/source.cpp
@@ -47,9 +47,23 @@ vector<unique_ptr<Source>> external_sources;
 }
 
 //==============================================================================
-// Source create implementation
+// Source implementation
 //==============================================================================
 
+Source::Source(pugi::xml_node node)
+{
+  // Check for source strength
+  if (check_for_node(node, "strength")) {
+    strength_ = std::stod(get_node_value(node, "strength"));
+    if (strength_ < 0.0) {
+      fatal_error("Source strength is negative.");
+    }
+  }
+
+  // Check for additional defined constraints
+  read_constraints(node);
+}
+
 unique_ptr<Source> Source::create(pugi::xml_node node)
 {
   // if the source type is present, use it to determine the type
@@ -79,6 +93,163 @@ unique_ptr<Source> Source::create(pugi::xml_node node)
   }
 }
 
+void Source::read_constraints(pugi::xml_node node)
+{
+  // Check for constraints node. For backwards compatibility, if no constraints
+  // node is given, still try searching for domain constraints from top-level
+  // node.
+  pugi::xml_node constraints_node = node.child("constraints");
+  if (constraints_node) {
+    node = constraints_node;
+  }
+
+  // Check for domains to reject from
+  if (check_for_node(node, "domain_type")) {
+    std::string domain_type = get_node_value(node, "domain_type");
+    if (domain_type == "cell") {
+      domain_type_ = DomainType::CELL;
+    } else if (domain_type == "material") {
+      domain_type_ = DomainType::MATERIAL;
+    } else if (domain_type == "universe") {
+      domain_type_ = DomainType::UNIVERSE;
+    } else {
+      fatal_error(
+        std::string("Unrecognized domain type for constraint: " + domain_type));
+    }
+
+    auto ids = get_node_array<int>(node, "domain_ids");
+    domain_ids_.insert(ids.begin(), ids.end());
+  }
+
+  if (check_for_node(node, "time_bounds")) {
+    auto ids = get_node_array<double>(node, "time_bounds");
+    if (ids.size() != 2) {
+      fatal_error("Time bounds must be represented by two numbers.");
+    }
+    time_bounds_ = std::make_pair(ids[0], ids[1]);
+  }
+  if (check_for_node(node, "energy_bounds")) {
+    auto ids = get_node_array<double>(node, "energy_bounds");
+    if (ids.size() != 2) {
+      fatal_error("Energy bounds must be represented by two numbers.");
+    }
+    energy_bounds_ = std::make_pair(ids[0], ids[1]);
+  }
+
+  if (check_for_node(node, "fissionable")) {
+    only_fissionable_ = get_node_value_bool(node, "fissionable");
+  }
+
+  // Check for how to handle rejected particles
+  if (check_for_node(node, "rejection_strategy")) {
+    std::string rejection_strategy = get_node_value(node, "rejection_strategy");
+    if (rejection_strategy == "kill") {
+      rejection_strategy_ = RejectionStrategy::KILL;
+    } else if (rejection_strategy == "resample") {
+      rejection_strategy_ = RejectionStrategy::RESAMPLE;
+    } else {
+      fatal_error(std::string(
+        "Unrecognized strategy source rejection: " + rejection_strategy));
+    }
+  }
+}
+
+SourceSite Source::sample_with_constraints(uint64_t* seed) const
+{
+  bool accepted = false;
+  static int n_reject = 0;
+  static int n_accept = 0;
+  SourceSite site;
+
+  while (!accepted) {
+    // Sample a source site without considering constraints yet
+    site = this->sample(seed);
+
+    if (constraints_applied()) {
+      accepted = true;
+    } else {
+      // Check whether sampled site satisfies constraints
+      accepted = satisfies_spatial_constraints(site.r) &&
+                 satisfies_energy_constraints(site.E) &&
+                 satisfies_time_constraints(site.time);
+      if (!accepted) {
+        ++n_reject;
+        if (n_reject >= EXTSRC_REJECT_THRESHOLD &&
+            static_cast<double>(n_accept) / n_reject <=
+              EXTSRC_REJECT_FRACTION) {
+          fatal_error("More than 95% of external source sites sampled were "
+                      "rejected. Please check your source definition.");
+        }
+
+        // For the "kill" strategy, accept particle but set weight to 0 so that
+        // it is terminated immediately
+        if (rejection_strategy_ == RejectionStrategy::KILL) {
+          accepted = true;
+          site.wgt = 0.0;
+        }
+      }
+    }
+  }
+
+  // Increment number of accepted samples
+  ++n_accept;
+
+  return site;
+}
+
+bool Source::satisfies_energy_constraints(double E) const
+{
+  return E > energy_bounds_.first && E < energy_bounds_.second;
+}
+
+bool Source::satisfies_time_constraints(double time) const
+{
+  return time > time_bounds_.first && time < time_bounds_.second;
+}
+
+bool Source::satisfies_spatial_constraints(Position r) const
+{
+  GeometryState geom_state;
+  geom_state.r() = r;
+
+  // Reject particle if it's not in the geometry at all
+  bool found = exhaustive_find_cell(geom_state);
+  if (!found)
+    return false;
+
+  // Check the geometry state against specified domains
+  bool accepted = true;
+  if (!domain_ids_.empty()) {
+    if (domain_type_ == DomainType::MATERIAL) {
+      auto mat_index = geom_state.material();
+      if (mat_index != MATERIAL_VOID) {
+        accepted = contains(domain_ids_, model::materials[mat_index]->id());
+      }
+    } else {
+      for (int i = 0; i < geom_state.n_coord(); i++) {
+        auto id = (domain_type_ == DomainType::CELL)
+                    ? model::cells[geom_state.coord(i).cell]->id_
+                    : model::universes[geom_state.coord(i).universe]->id_;
+        if ((accepted = contains(domain_ids_, id)))
+          break;
+      }
+    }
+  }
+
+  // Check if spatial site is in fissionable material
+  if (accepted && only_fissionable_) {
+    // Determine material
+    auto mat_index = geom_state.material();
+    if (mat_index == MATERIAL_VOID) {
+      accepted = false;
+    } else {
+      accepted = model::materials[mat_index]->fissionable();
+    }
+  }
+
+  return accepted;
+}
+
 //==============================================================================
 // IndependentSource implementation
 //==============================================================================
@@ -89,7 +260,7 @@ IndependentSource::IndependentSource(
     energy_ {std::move(energy)}, time_ {std::move(time)}
 {}
 
-IndependentSource::IndependentSource(pugi::xml_node node)
+IndependentSource::IndependentSource(pugi::xml_node node) : Source(node)
 {
   // Check for particle type
   if (check_for_node(node, "particle")) {
@@ -104,11 +275,6 @@ IndependentSource::IndependentSource(pugi::xml_node node)
     }
   }
 
-  // Check for source strength
-  if (check_for_node(node, "strength")) {
-    strength_ = std::stod(get_node_value(node, "strength"));
-  }
-
   // Check for external source file
   if (check_for_node(node, "file")) {
 
@@ -122,6 +288,15 @@ IndependentSource::IndependentSource(pugi::xml_node node)
       space_ = UPtrSpace {new SpatialPoint()};
     }
 
+    // For backwards compatibility, check for only fissionable setting on box
+    // source
+    auto space_box = dynamic_cast<SpatialBox*>(space_.get());
+    if (space_box) {
+      if (!only_fissionable_) {
+        only_fissionable_ = space_box->only_fissionable();
+      }
+    }
+
     // Determine external source angular distribution
     if (check_for_node(node, "angle")) {
       angle_ = UnitSphereDistribution::create(node.child("angle"));
@@ -148,24 +323,6 @@ IndependentSource::IndependentSource(pugi::xml_node node)
       double p[] {1.0};
       time_ = UPtrDist {new Discrete {T, p, 1}};
     }
-
-    // Check for domains to reject from
-    if (check_for_node(node, "domain_type")) {
-      std::string domain_type = get_node_value(node, "domain_type");
-      if (domain_type == "cell") {
-        domain_type_ = DomainType::CELL;
-      } else if (domain_type == "material") {
-        domain_type_ = DomainType::MATERIAL;
-      } else if (domain_type == "universe") {
-        domain_type_ = DomainType::UNIVERSE;
-      } else {
-        fatal_error(std::string(
-          "Unrecognized domain type for source rejection: " + domain_type));
-      }
-
-      auto ids = get_node_array<int>(node, "domain_ids");
-      domain_ids_.insert(ids.begin(), ids.end());
-    }
   }
 }
 
@@ -174,60 +331,21 @@ SourceSite IndependentSource::sample(uint64_t* seed) const
   SourceSite site;
   site.particle = particle_;
 
-  // Repeat sampling source location until a good site has been found
-  bool found = false;
-  int n_reject = 0;
+  // Repeat sampling source location until a good site has been accepted
+  bool accepted = false;
+  static int n_reject = 0;
   static int n_accept = 0;
 
-  while (!found) {
-    // Set particle type
-    Particle p;
-    p.type() = particle_;
-    p.u() = {0.0, 0.0, 1.0};
+  while (!accepted) {
 
     // Sample spatial distribution
-    p.r() = space_->sample(seed);
+    site.r = space_->sample(seed);
 
-    // Now search to see if location exists in geometry
-    found = exhaustive_find_cell(p);
-
-    // Check if spatial site is in fissionable material
-    if (found) {
-      auto space_box = dynamic_cast<SpatialBox*>(space_.get());
-      if (space_box) {
-        if (space_box->only_fissionable()) {
-          // Determine material
-          auto mat_index = p.material();
-          if (mat_index == MATERIAL_VOID) {
-            found = false;
-          } else {
-            found = model::materials[mat_index]->fissionable();
-          }
-        }
-      }
-
-      // Rejection based on cells/materials/universes
-      if (!domain_ids_.empty()) {
-        found = false;
-        if (domain_type_ == DomainType::MATERIAL) {
-          auto mat_index = p.material();
-          if (mat_index != MATERIAL_VOID) {
-            found = contains(domain_ids_, model::materials[mat_index]->id());
-          }
-        } else {
-          for (int i = 0; i < p.n_coord(); i++) {
-            auto id = (domain_type_ == DomainType::CELL)
-                        ? model::cells[p.coord(i).cell]->id_
-                        : model::universes[p.coord(i).universe]->id_;
-            if ((found = contains(domain_ids_, id)))
-              break;
-          }
-        }
-      }
-    }
+    // Check if sampled position satisfies spatial constraints
+    accepted = satisfies_spatial_constraints(site.r);
 
     // Check for rejection
-    if (!found) {
+    if (!accepted) {
       ++n_reject;
       if (n_reject >= EXTSRC_REJECT_THRESHOLD &&
           static_cast<double>(n_accept) / n_reject <= EXTSRC_REJECT_FRACTION) {
@@ -236,8 +354,6 @@ SourceSite IndependentSource::sample(uint64_t* seed) const
                     "definition.");
       }
     }
-
-    site.r = p.r();
   }
 
   // Sample angle
@@ -261,7 +377,8 @@ SourceSite IndependentSource::sample(uint64_t* seed) const
       site.E = energy_->sample(seed);
 
       // Resample if energy falls above maximum particle energy
-      if (site.E < data::energy_max[p])
+      if (site.E < data::energy_max[p] and
+          (satisfies_energy_constraints(site.E)))
         break;
 
       n_reject++;
@@ -287,7 +404,8 @@ SourceSite IndependentSource::sample(uint64_t* seed) const
 //==============================================================================
 // FileSource implementation
 //==============================================================================
-FileSource::FileSource(pugi::xml_node node)
+
+FileSource::FileSource(pugi::xml_node node) : Source(node)
 {
   auto path = get_node_value(node, "file", false, true);
   if (ends_with(path, ".mcpl") || ends_with(path, ".mcpl.gz")) {
@@ -332,6 +450,7 @@ void FileSource::load_sites_from_file(const std::string& path)
 
 SourceSite FileSource::sample(uint64_t* seed) const
 {
+  // Sample a particle randomly from list
   size_t i_site = sites_.size() * prn(seed);
   return sites_[i_site];
 }
@@ -339,7 +458,8 @@ SourceSite FileSource::sample(uint64_t* seed) const
 //==============================================================================
 // CompiledSourceWrapper implementation
 //==============================================================================
-CompiledSourceWrapper::CompiledSourceWrapper(pugi::xml_node node)
+
+CompiledSourceWrapper::CompiledSourceWrapper(pugi::xml_node node) : Source(node)
 {
   // Get shared library path and parameters
   auto path = get_node_value(node, "library", false, true);
@@ -403,7 +523,7 @@ CompiledSourceWrapper::~CompiledSourceWrapper()
 // MeshSource implementation
 //==============================================================================
 
-MeshSource::MeshSource(pugi::xml_node node)
+MeshSource::MeshSource(pugi::xml_node node) : Source(node)
 {
   int32_t mesh_id = stoi(get_node_value(node, "mesh"));
   int32_t mesh_idx = model::mesh_map.at(mesh_id);
@@ -430,15 +550,27 @@ MeshSource::MeshSource(pugi::xml_node node)
 
 SourceSite MeshSource::sample(uint64_t* seed) const
 {
-  // sample location and element from mesh
-  auto mesh_location = space_->sample_mesh(seed);
+  // Sample the CDF defined in initialization above
+  int32_t element = space_->sample_element_index(seed);
 
-  // Sample source for the chosen element
-  int32_t element = mesh_location.first;
-  SourceSite site = source(element)->sample(seed);
+  // Sample position and apply rejection on spatial domains
+  Position r;
+  do {
+    r = space_->mesh()->sample_element(element, seed);
+  } while (!this->satisfies_spatial_constraints(r));
 
-  // Replace spatial position with the one already sampled
-  site.r = mesh_location.second;
+  SourceSite site;
+  while (true) {
+    // Sample source for the chosen element and replace the position
+    site = source(element)->sample_with_constraints(seed);
+    site.r = r;
+
+    // Apply other rejections
+    if (satisfies_energy_constraints(site.E) &&
+        satisfies_time_constraints(site.time)) {
+      break;
+    }
+  }
 
   return site;
 }
@@ -493,7 +625,7 @@ SourceSite sample_external_source(uint64_t* seed)
   }
 
   // Sample source site from i-th source distribution
-  SourceSite site {model::external_sources[i]->sample(seed)};
+  SourceSite site {model::external_sources[i]->sample_with_constraints(seed)};
 
   // If running in MG, convert site.E to group
   if (!settings::run_CE) {
diff --git a/tests/regression_tests/asymmetric_lattice/inputs_true.dat b/tests/regression_tests/asymmetric_lattice/inputs_true.dat
index 3977220da..302ef24c2 100644
--- a/tests/regression_tests/asymmetric_lattice/inputs_true.dat
+++ b/tests/regression_tests/asymmetric_lattice/inputs_true.dat
@@ -209,9 +209,12 @@
     <batches>10</batches>
     <inactive>5</inactive>
     <source particle="neutron" strength="1.0" type="independent">
-      <space type="fission">
+      <space type="box">
         <parameters>-32 -32 0 32 32 32</parameters>
       </space>
+      <constraints>
+        <fissionable>true</fissionable>
+      </constraints>
     </source>
   </settings>
   <tallies>
diff --git a/tests/regression_tests/asymmetric_lattice/test.py b/tests/regression_tests/asymmetric_lattice/test.py
index 0d17a6c98..fadf272ff 100644
--- a/tests/regression_tests/asymmetric_lattice/test.py
+++ b/tests/regression_tests/asymmetric_lattice/test.py
@@ -54,8 +54,10 @@ class AsymmetricLatticeTestHarness(PyAPITestHarness):
         self._model.tallies.append(tally)
 
         # Specify summary output and correct source sampling box
-        self._model.settings.source = openmc.IndependentSource(space=openmc.stats.Box(
-            [-32, -32, 0], [32, 32, 32], only_fissionable = True))
+        self._model.settings.source = openmc.IndependentSource(
+            space=openmc.stats.Box([-32, -32, 0], [32, 32, 32]),
+            constraints={'fissionable': True}
+        )
 
     def _get_results(self, hash_output=True):
         """Digest info in statepoint and summary and return as a string."""
diff --git a/tests/regression_tests/mg_temperature_multi/inputs_true.dat b/tests/regression_tests/mg_temperature_multi/inputs_true.dat
index b2ad5063c..0c452cd52 100644
--- a/tests/regression_tests/mg_temperature_multi/inputs_true.dat
+++ b/tests/regression_tests/mg_temperature_multi/inputs_true.dat
@@ -28,9 +28,12 @@
     <batches>10</batches>
     <inactive>5</inactive>
     <source particle="neutron" strength="1.0" type="independent">
-      <space type="fission">
+      <space type="box">
         <parameters>-0.63 -0.63 -1 0.63 0.63 1</parameters>
       </space>
+      <constraints>
+        <fissionable>true</fissionable>
+      </constraints>
     </source>
     <energy_mode>multi-group</energy_mode>
   </settings>
diff --git a/tests/regression_tests/mg_temperature_multi/test.py b/tests/regression_tests/mg_temperature_multi/test.py
index 404c8c0cd..3117e29ba 100755
--- a/tests/regression_tests/mg_temperature_multi/test.py
+++ b/tests/regression_tests/mg_temperature_multi/test.py
@@ -133,8 +133,9 @@ def test_mg_temperature_multi():
     # Create an initial uniform spatial source distribution over fissionable zones
     lower_left = (-pitch/2, -pitch/2, -1)
     upper_right = (pitch/2, pitch/2, 1)
-    uniform_dist = openmc.stats.Box(lower_left, upper_right, only_fissionable=True)
-    settings.source = openmc.IndependentSource(space=uniform_dist)
+    uniform_dist = openmc.stats.Box(lower_left, upper_right)
+    settings.source = openmc.IndependentSource(
+        space=uniform_dist, constraints={'fissionable': True})
 
     ###############################################################################
     # Define tallies
diff --git a/tests/regression_tests/mgxs_library_ce_to_mg/inputs_true.dat b/tests/regression_tests/mgxs_library_ce_to_mg/inputs_true.dat
index d9a3c52c8..6c071263f 100644
--- a/tests/regression_tests/mgxs_library_ce_to_mg/inputs_true.dat
+++ b/tests/regression_tests/mgxs_library_ce_to_mg/inputs_true.dat
@@ -42,9 +42,12 @@
     <batches>10</batches>
     <inactive>5</inactive>
     <source particle="neutron" strength="1.0" type="independent">
-      <space type="fission">
+      <space type="box">
         <parameters>-0.63 -0.63 -1 0.63 0.63 1</parameters>
       </space>
+      <constraints>
+        <fissionable>true</fissionable>
+      </constraints>
     </source>
   </settings>
   <tallies>
diff --git a/tests/regression_tests/mgxs_library_ce_to_mg_nuclides/inputs_true.dat b/tests/regression_tests/mgxs_library_ce_to_mg_nuclides/inputs_true.dat
index f84adc329..ad3d50974 100644
--- a/tests/regression_tests/mgxs_library_ce_to_mg_nuclides/inputs_true.dat
+++ b/tests/regression_tests/mgxs_library_ce_to_mg_nuclides/inputs_true.dat
@@ -42,9 +42,12 @@
     <batches>10</batches>
     <inactive>5</inactive>
     <source particle="neutron" strength="1.0" type="independent">
-      <space type="fission">
+      <space type="box">
         <parameters>-0.63 -0.63 -1 0.63 0.63 1</parameters>
       </space>
+      <constraints>
+        <fissionable>true</fissionable>
+      </constraints>
     </source>
   </settings>
   <tallies>
diff --git a/tests/regression_tests/mgxs_library_condense/inputs_true.dat b/tests/regression_tests/mgxs_library_condense/inputs_true.dat
index 93519cd2a..8606e9fdd 100644
--- a/tests/regression_tests/mgxs_library_condense/inputs_true.dat
+++ b/tests/regression_tests/mgxs_library_condense/inputs_true.dat
@@ -42,9 +42,12 @@
     <batches>10</batches>
     <inactive>5</inactive>
     <source particle="neutron" strength="1.0" type="independent">
-      <space type="fission">
+      <space type="box">
         <parameters>-0.63 -0.63 -1 0.63 0.63 1</parameters>
       </space>
+      <constraints>
+        <fissionable>true</fissionable>
+      </constraints>
     </source>
   </settings>
   <tallies>
diff --git a/tests/regression_tests/mgxs_library_correction/inputs_true.dat b/tests/regression_tests/mgxs_library_correction/inputs_true.dat
index 80cbc4bb5..ea2d1b714 100644
--- a/tests/regression_tests/mgxs_library_correction/inputs_true.dat
+++ b/tests/regression_tests/mgxs_library_correction/inputs_true.dat
@@ -42,9 +42,12 @@
     <batches>10</batches>
     <inactive>5</inactive>
     <source particle="neutron" strength="1.0" type="independent">
-      <space type="fission">
+      <space type="box">
         <parameters>-0.63 -0.63 -1 0.63 0.63 1</parameters>
       </space>
+      <constraints>
+        <fissionable>true</fissionable>
+      </constraints>
     </source>
   </settings>
   <tallies>
diff --git a/tests/regression_tests/mgxs_library_distribcell/inputs_true.dat b/tests/regression_tests/mgxs_library_distribcell/inputs_true.dat
index fc2c06d1c..f1a605334 100644
--- a/tests/regression_tests/mgxs_library_distribcell/inputs_true.dat
+++ b/tests/regression_tests/mgxs_library_distribcell/inputs_true.dat
@@ -69,9 +69,12 @@
     <batches>10</batches>
     <inactive>5</inactive>
     <source particle="neutron" strength="1.0" type="independent">
-      <space type="fission">
+      <space type="box">
         <parameters>-10.71 -10.71 -1 10.71 10.71 1</parameters>
       </space>
+      <constraints>
+        <fissionable>true</fissionable>
+      </constraints>
     </source>
   </settings>
   <tallies>
diff --git a/tests/regression_tests/mgxs_library_hdf5/inputs_true.dat b/tests/regression_tests/mgxs_library_hdf5/inputs_true.dat
index 93519cd2a..8606e9fdd 100644
--- a/tests/regression_tests/mgxs_library_hdf5/inputs_true.dat
+++ b/tests/regression_tests/mgxs_library_hdf5/inputs_true.dat
@@ -42,9 +42,12 @@
     <batches>10</batches>
     <inactive>5</inactive>
     <source particle="neutron" strength="1.0" type="independent">
-      <space type="fission">
+      <space type="box">
         <parameters>-0.63 -0.63 -1 0.63 0.63 1</parameters>
       </space>
+      <constraints>
+        <fissionable>true</fissionable>
+      </constraints>
     </source>
   </settings>
   <tallies>
diff --git a/tests/regression_tests/mgxs_library_histogram/inputs_true.dat b/tests/regression_tests/mgxs_library_histogram/inputs_true.dat
index 178a44464..013fcd0fa 100644
--- a/tests/regression_tests/mgxs_library_histogram/inputs_true.dat
+++ b/tests/regression_tests/mgxs_library_histogram/inputs_true.dat
@@ -42,9 +42,12 @@
     <batches>10</batches>
     <inactive>5</inactive>
     <source particle="neutron" strength="1.0" type="independent">
-      <space type="fission">
+      <space type="box">
         <parameters>-0.63 -0.63 -1 0.63 0.63 1</parameters>
       </space>
+      <constraints>
+        <fissionable>true</fissionable>
+      </constraints>
     </source>
   </settings>
   <tallies>
diff --git a/tests/regression_tests/mgxs_library_no_nuclides/inputs_true.dat b/tests/regression_tests/mgxs_library_no_nuclides/inputs_true.dat
index 0003413ac..5cad36b7e 100644
--- a/tests/regression_tests/mgxs_library_no_nuclides/inputs_true.dat
+++ b/tests/regression_tests/mgxs_library_no_nuclides/inputs_true.dat
@@ -42,9 +42,12 @@
     <batches>10</batches>
     <inactive>5</inactive>
     <source particle="neutron" strength="1.0" type="independent">
-      <space type="fission">
+      <space type="box">
         <parameters>-0.63 -0.63 -1 0.63 0.63 1</parameters>
       </space>
+      <constraints>
+        <fissionable>true</fissionable>
+      </constraints>
     </source>
   </settings>
   <tallies>
diff --git a/tests/regression_tests/mgxs_library_nuclides/inputs_true.dat b/tests/regression_tests/mgxs_library_nuclides/inputs_true.dat
index 97e227177..9b3a22510 100644
--- a/tests/regression_tests/mgxs_library_nuclides/inputs_true.dat
+++ b/tests/regression_tests/mgxs_library_nuclides/inputs_true.dat
@@ -42,9 +42,12 @@
     <batches>10</batches>
     <inactive>5</inactive>
     <source particle="neutron" strength="1.0" type="independent">
-      <space type="fission">
+      <space type="box">
         <parameters>-0.63 -0.63 -1 0.63 0.63 1</parameters>
       </space>
+      <constraints>
+        <fissionable>true</fissionable>
+      </constraints>
     </source>
   </settings>
   <tallies>
diff --git a/tests/regression_tests/mgxs_library_specific_nuclides/inputs_true.dat b/tests/regression_tests/mgxs_library_specific_nuclides/inputs_true.dat
index b73ed179e..1372741c9 100644
--- a/tests/regression_tests/mgxs_library_specific_nuclides/inputs_true.dat
+++ b/tests/regression_tests/mgxs_library_specific_nuclides/inputs_true.dat
@@ -42,9 +42,12 @@
     <batches>10</batches>
     <inactive>5</inactive>
     <source particle="neutron" strength="1.0" type="independent">
-      <space type="fission">
+      <space type="box">
         <parameters>-0.63 -0.63 -1 0.63 0.63 1</parameters>
       </space>
+      <constraints>
+        <fissionable>true</fissionable>
+      </constraints>
     </source>
   </settings>
   <tallies>
diff --git a/tests/regression_tests/surface_tally/inputs_true.dat b/tests/regression_tests/surface_tally/inputs_true.dat
index abd01266d..192c2e89f 100644
--- a/tests/regression_tests/surface_tally/inputs_true.dat
+++ b/tests/regression_tests/surface_tally/inputs_true.dat
@@ -30,9 +30,12 @@
     <batches>10</batches>
     <inactive>0</inactive>
     <source particle="neutron" strength="1.0" type="independent">
-      <space type="fission">
+      <space type="box">
         <parameters>-0.62992 -0.62992 -1 0.62992 0.62992 1</parameters>
       </space>
+      <constraints>
+        <fissionable>true</fissionable>
+      </constraints>
     </source>
   </settings>
   <tallies>
diff --git a/tests/regression_tests/surface_tally/test.py b/tests/regression_tests/surface_tally/test.py
index 8968db9b6..e496ac0f6 100644
--- a/tests/regression_tests/surface_tally/test.py
+++ b/tests/regression_tests/surface_tally/test.py
@@ -72,9 +72,9 @@ class SurfaceTallyTestHarness(PyAPITestHarness):
 
         # Create an initial uniform spatial source distribution
         bounds = [-0.62992, -0.62992, -1, 0.62992, 0.62992, 1]
-        uniform_dist = openmc.stats.Box(bounds[:3], bounds[3:],\
-             only_fissionable=True)
-        settings_file.source = openmc.IndependentSource(space=uniform_dist)
+        uniform_dist = openmc.stats.Box(bounds[:3], bounds[3:],)
+        settings_file.source = openmc.IndependentSource(
+            space=uniform_dist, constraints={'fissionable': True})
         self._model.settings = settings_file
 
         # Tallies file
diff --git a/tests/unit_tests/test_lib.py b/tests/unit_tests/test_lib.py
index 1310a6a7f..009a90968 100644
--- a/tests/unit_tests/test_lib.py
+++ b/tests/unit_tests/test_lib.py
@@ -67,8 +67,10 @@ def uo2_trigger_model():
     model.settings.batches = 10
     model.settings.inactive = 5
     model.settings.particles = 100
-    model.settings.source = openmc.IndependentSource(space=openmc.stats.Box(
-        [-0.5, -0.5, -1], [0.5, 0.5, 1], only_fissionable=True))
+    model.settings.source = openmc.IndependentSource(
+        space=openmc.stats.Box([-0.5, -0.5, -1], [0.5, 0.5, 1]),
+        constraints={'fissionable': True},
+    )
     model.settings.verbosity = 1
     model.settings.keff_trigger = {'type': 'std_dev', 'threshold': 0.001}
     model.settings.trigger_active = True
diff --git a/tests/unit_tests/test_model.py b/tests/unit_tests/test_model.py
index 16fa18d45..404235bef 100644
--- a/tests/unit_tests/test_model.py
+++ b/tests/unit_tests/test_model.py
@@ -57,9 +57,9 @@ def pin_model_attributes():
 
     # Create a uniform spatial source distribution over fissionable zones
     bounds = [-0.62992, -0.62992, -1, 0.62992, 0.62992, 1]
-    uniform_dist = openmc.stats.Box(
-        bounds[:3], bounds[3:], only_fissionable=True)
-    settings.source = openmc.IndependentSource(space=uniform_dist)
+    uniform_dist = openmc.stats.Box(bounds[:3], bounds[3:])
+    settings.source = openmc.IndependentSource(
+        space=uniform_dist, constraints={'fissionable': True})
 
     entropy_mesh = openmc.RegularMesh()
     entropy_mesh.lower_left = [-0.39218, -0.39218, -1.e50]
diff --git a/tests/unit_tests/test_source.py b/tests/unit_tests/test_source.py
index 4783ff8f1..9a19f6f24 100644
--- a/tests/unit_tests/test_source.py
+++ b/tests/unit_tests/test_source.py
@@ -7,6 +7,8 @@ import numpy as np
 import pytest
 from pytest import approx
 
+from tests.regression_tests import config
+
 
 def test_source():
     space = openmc.stats.Point()
@@ -100,7 +102,8 @@ def test_source_xml_roundtrip():
     assert new_src.strength == approx(src.strength)
 
 
-def test_rejection(run_in_tmpdir):
+@pytest.fixture
+def sphere_box_model():
     # Model with two spheres inside a box
     mat = openmc.Material()
     mat.add_nuclide('H1', 1.0)
@@ -119,24 +122,108 @@ def test_rejection(run_in_tmpdir):
     model.settings.batches = 10
     model.settings.run_mode = 'fixed source'
 
+    return model, cell1, cell2, cell3
+
+
+def test_constraints_independent(sphere_box_model, run_in_tmpdir):
+    model, cell1, cell2, cell3 = sphere_box_model
+
     # Set up a box source with rejection on the spherical cell
-    space = openmc.stats.Box(*cell3.bounding_box)
-    model.settings.source = openmc.IndependentSource(space=space, domains=[cell1, cell2])
+    space = openmc.stats.Box((-4., -1., -1.), (4., 1., 1.))
+    model.settings.source = openmc.IndependentSource(
+        space=space, constraints={'domains': [cell1, cell2]}
+    )
 
     # Load up model via openmc.lib and sample source
-    model.export_to_xml()
+    model.export_to_model_xml()
     openmc.lib.init()
     particles = openmc.lib.sample_external_source(1000)
 
     # Make sure that all sampled sources are within one of the spheres
-    joint_region = cell1.region | cell2.region
     for p in particles:
-        assert p.r in joint_region
-        assert p.r not in non_source_region
+        assert p.r in (cell1.region | cell2.region)
+        assert p.r not in cell3.region
 
     openmc.lib.finalize()
 
 
+def test_constraints_mesh(sphere_box_model, run_in_tmpdir):
+    model, cell1, cell2, cell3 = sphere_box_model
+
+    bbox = cell3.bounding_box
+    mesh = openmc.RegularMesh()
+    mesh.lower_left = bbox.lower_left
+    mesh.upper_right = bbox.upper_right
+    mesh.dimension = (2, 1, 1)
+
+    left_source = openmc.IndependentSource()
+    right_source = openmc.IndependentSource()
+    model.settings.source = openmc.MeshSource(
+        mesh, [left_source, right_source], constraints={'domains': [cell1, cell2]}
+    )
+
+    # Load up model via openmc.lib and sample source
+    model.export_to_model_xml()
+    openmc.lib.init()
+    particles = openmc.lib.sample_external_source(1000)
+
+    # Make sure that all sampled sources are within one of the spheres
+    for p in particles:
+        assert p.r in (cell1.region | cell2.region)
+        assert p.r not in cell3.region
+
+    openmc.lib.finalize()
+
+
+def test_constraints_file(sphere_box_model, run_in_tmpdir):
+    model = sphere_box_model[0]
+
+    # Create source file with randomly sampled source sites
+    rng = np.random.default_rng()
+    energy = rng.uniform(0., 1e6, 10_000)
+    time = rng.uniform(0., 1., 10_000)
+    particles = [openmc.SourceParticle(E=e, time=t) for e, t in zip(energy, time)]
+    openmc.write_source_file(particles, 'uniform_source.h5')
+
+    # Use source file
+    model.settings.source = openmc.FileSource(
+        'uniform_source.h5',
+        constraints={
+            'time_bounds': [0.25, 0.75],
+            'energy_bounds': [500.e3, 1.0e6],
+        }
+    )
+
+    # Load up model via openmc.lib and sample source
+    model.export_to_model_xml()
+    openmc.lib.init()
+    particles = openmc.lib.sample_external_source(1000)
+
+    # Make sure that all sampled sources are within energy/time bounds
+    for p in particles:
+        assert 0.25 <= p.time <= 0.75
+        assert 500.e3 <= p.E <= 1.0e6
+
+    openmc.lib.finalize()
+
+
+@pytest.mark.skipif(config['mpi'], reason='Not compatible with MPI')
+def test_rejection_limit(sphere_box_model, run_in_tmpdir):
+    model, cell1 = sphere_box_model[:2]
+
+    # Define a point source that will get rejected 100% of the time
+    model.settings.source = openmc.IndependentSource(
+        space=openmc.stats.Point((-3., 0., 0.)),
+        constraints={'domains': [cell1]}
+    )
+
+    # Confirm that OpenMC doesn't run in an infinite loop. Note that this may
+    # work when running with MPI since it won't necessarily capture the error
+    # message correctly
+    with pytest.raises(RuntimeError, match="rejected"):
+        model.run(openmc_exec=config['exe'])
+
+
 def test_exceptions():
 
     with pytest.raises(AttributeError, match=r'Please use the FileSource class'):
@@ -156,4 +243,4 @@ def test_exceptions():
 
     with pytest.raises(AttributeError, match=r'has no attribute \'frisbee\''):
         s = openmc.IndependentSource()
-        s.frisbee
\ No newline at end of file
+        s.frisbee

From 25e47dea9bc1857272bb7a69642b868f4c27fe08 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 24 May 2024 18:56:20 -0500
Subject: [PATCH 2087/2654] Apply memoization in `get_all_universes` (#2995)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/cell.py     | 33 ++++++++++++++++++---------------
 openmc/geometry.py |  6 +++---
 openmc/lattice.py  | 36 +++++++++++++++++++++++-------------
 openmc/tallies.py  |  1 +
 openmc/universe.py | 42 +++++++++++++++++++++++++++---------------
 5 files changed, 72 insertions(+), 46 deletions(-)

diff --git a/openmc/cell.py b/openmc/cell.py
index 94fac8413..fe3939bbe 100644
--- a/openmc/cell.py
+++ b/openmc/cell.py
@@ -426,15 +426,13 @@ class Cell(IDManagerMixin):
             instances
 
         """
+        if memo is None:
+            memo = set()
+        elif self in memo:
+            return {}
+        memo.add(self)
 
         cells = {}
-
-        if memo and self in memo:
-            return cells
-
-        if memo is not None:
-            memo.add(self)
-
         if self.fill_type in ('universe', 'lattice'):
             cells.update(self.fill.get_all_cells(memo))
 
@@ -465,7 +463,7 @@ class Cell(IDManagerMixin):
 
         return materials
 
-    def get_all_universes(self):
+    def get_all_universes(self, memo=None):
         """Return all universes that are contained within this one if any of
         its cells are filled with a universe or lattice.
 
@@ -476,18 +474,22 @@ class Cell(IDManagerMixin):
             :class:`Universe` instances
 
         """
+        if memo is None:
+            memo = set()
+        if self in memo:
+            return {}
+        memo.add(self)
 
         universes = {}
-
         if self.fill_type == 'universe':
             universes[self.fill.id] = self.fill
-            universes.update(self.fill.get_all_universes())
+            universes.update(self.fill.get_all_universes(memo))
         elif self.fill_type == 'lattice':
-            universes.update(self.fill.get_all_universes())
+            universes.update(self.fill.get_all_universes(memo))
 
         return universes
 
-    def clone(self, clone_materials=True, clone_regions=True,  memo=None):
+    def clone(self, clone_materials=True, clone_regions=True, memo=None):
         """Create a copy of this cell with a new unique ID, and clones
         the cell's region and fill.
 
@@ -678,10 +680,11 @@ class Cell(IDManagerMixin):
             # thus far.
             def create_surface_elements(node, element, memo=None):
                 if isinstance(node, Halfspace):
-                    if memo and node.surface in memo:
+                    if memo is None:
+                        memo = set()
+                    elif node.surface in memo:
                         return
-                    if memo is not None:
-                        memo.add(node.surface)
+                    memo.add(node.surface)
                     xml_element.append(node.surface.to_xml_element())
 
                 elif isinstance(node, Complement):
diff --git a/openmc/geometry.py b/openmc/geometry.py
index 175cef2bf..db927c46e 100644
--- a/openmc/geometry.py
+++ b/openmc/geometry.py
@@ -134,7 +134,7 @@ class Geometry:
 
         # Create XML representation
         element = ET.Element("geometry")
-        self.root_universe.create_xml_subelement(element, memo=set())
+        self.root_universe.create_xml_subelement(element)
 
         # Sort the elements in the file
         element[:] = sorted(element, key=lambda x: (
@@ -373,7 +373,7 @@ class Geometry:
 
         """
         if self.root_universe is not None:
-            return self.root_universe.get_all_cells(memo=set())
+            return self.root_universe.get_all_cells()
         else:
             return {}
 
@@ -417,7 +417,7 @@ class Geometry:
 
         """
         if self.root_universe is not None:
-            return self.root_universe.get_all_materials(memo=set())
+            return self.root_universe.get_all_materials()
         else:
             return {}
 
diff --git a/openmc/lattice.py b/openmc/lattice.py
index 40b97f6cf..6282cf21c 100644
--- a/openmc/lattice.py
+++ b/openmc/lattice.py
@@ -170,11 +170,11 @@ class Lattice(IDManagerMixin, ABC):
         """
         cells = {}
 
-        if memo and self in memo:
+        if memo is None:
+            memo = set()
+        elif self in memo:
             return cells
-
-        if memo is not None:
-            memo.add(self)
+        memo.add(self)
 
         unique_universes = self.get_unique_universes()
 
@@ -194,6 +194,9 @@ class Lattice(IDManagerMixin, ABC):
 
         """
 
+        if memo is None:
+            memo = set()
+
         materials = {}
 
         # Append all Cells in each Cell in the Universe to the dictionary
@@ -203,7 +206,7 @@ class Lattice(IDManagerMixin, ABC):
 
         return materials
 
-    def get_all_universes(self):
+    def get_all_universes(self, memo=None):
         """Return all universes that are contained within the lattice
 
         Returns
@@ -213,11 +216,16 @@ class Lattice(IDManagerMixin, ABC):
             :class:`Universe` instances
 
         """
-
         # Initialize a dictionary of all Universes contained by the Lattice
         # in each nested Universe level
         all_universes = {}
 
+        if memo is None:
+            memo = set()
+        elif self in memo:
+            return all_universes
+        memo.add(self)
+
         # Get all unique Universes contained in each of the lattice cells
         unique_universes = self.get_unique_universes()
 
@@ -226,7 +234,7 @@ class Lattice(IDManagerMixin, ABC):
 
         # Append all Universes containing each cell to the dictionary
         for universe in unique_universes.values():
-            all_universes.update(universe.get_all_universes())
+            all_universes.update(universe.get_all_universes(memo))
 
         return all_universes
 
@@ -846,10 +854,11 @@ class RectLattice(Lattice):
 
         """
         # If the element already contains the Lattice subelement, then return
-        if memo and self in memo:
+        if memo is None:
+            memo = set()
+        elif self in memo:
             return
-        if memo is not None:
-            memo.add(self)
+        memo.add(self)
 
         # Make sure universes have been assigned
         if self.universes is None:
@@ -1417,10 +1426,11 @@ class HexLattice(Lattice):
 
     def create_xml_subelement(self, xml_element, memo=None):
         # If this subelement has already been written, return
-        if memo and self in memo:
+        if memo is None:
+            memo = set()
+        elif self in memo:
             return
-        if memo is not None:
-            memo.add(self)
+        memo.add(self)
 
         lattice_subelement = ET.Element("hex_lattice")
         lattice_subelement.set("id", str(self._id))
diff --git a/openmc/tallies.py b/openmc/tallies.py
index 04ae00b6a..f39ffa078 100644
--- a/openmc/tallies.py
+++ b/openmc/tallies.py
@@ -3209,6 +3209,7 @@ class Tallies(cv.CheckedList):
     def to_xml_element(self, memo=None):
         """Creates a 'tallies' element to be written to an XML file.
         """
+        memo = memo if memo is not None else set()
         element = ET.Element("tallies")
         self._create_mesh_subelements(element, memo)
         self._create_filter_subelements(element)
diff --git a/openmc/universe.py b/openmc/universe.py
index 2e86ab05a..9fab9ae51 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -90,7 +90,7 @@ class UniverseBase(ABC, IDManagerMixin):
         else:
             raise ValueError('No volume information found for this universe.')
 
-    def get_all_universes(self):
+    def get_all_universes(self, memo=None):
         """Return all universes that are contained within this one.
 
         Returns
@@ -100,10 +100,16 @@ class UniverseBase(ABC, IDManagerMixin):
             :class:`Universe` instances
 
         """
+        if memo is None:
+            memo = set()
+        elif self in memo:
+            return {}
+        memo.add(self)
+
         # Append all Universes within each Cell to the dictionary
         universes = {}
         for cell in self.get_all_cells().values():
-            universes.update(cell.get_all_universes())
+            universes.update(cell.get_all_universes(memo))
 
         return universes
 
@@ -639,15 +645,14 @@ class Universe(UniverseBase):
 
         """
 
-        cells = {}
-
-        if memo and self in memo:
-            return cells
-
-        if memo is not None:
-            memo.add(self)
+        if memo is None:
+            memo = set()
+        elif self in memo:
+            return {}
+        memo.add(self)
 
         # Add this Universe's cells to the dictionary
+        cells = {}
         cells.update(self._cells)
 
         # Append all Cells in each Cell in the Universe to the dictionary
@@ -667,6 +672,9 @@ class Universe(UniverseBase):
 
         """
 
+        if memo is None:
+            memo = set()
+
         materials = {}
 
         # Append all Cells in each Cell in the Universe to the dictionary
@@ -677,15 +685,17 @@ class Universe(UniverseBase):
         return materials
 
     def create_xml_subelement(self, xml_element, memo=None):
+        if memo is None:
+            memo = set()
+
         # Iterate over all Cells
         for cell in self._cells.values():
 
             # If the cell was already written, move on
-            if memo and cell in memo:
+            if cell in memo:
                 continue
 
-            if memo is not None:
-                memo.add(cell)
+            memo.add(cell)
 
             # Create XML subelement for this Cell
             cell_element = cell.create_xml_subelement(xml_element, memo)
@@ -928,11 +938,13 @@ class DAGMCUniverse(UniverseBase):
         return self._n_geom_elements('surface')
 
     def create_xml_subelement(self, xml_element, memo=None):
-        if memo and self in memo:
+        if memo is None:
+            memo = set()
+
+        if self in memo:
             return
 
-        if memo is not None:
-            memo.add(self)
+        memo.add(self)
 
         # Set xml element values
         dagmc_element = ET.Element('dagmc_universe')

From 12ecc17997a65e925f9ee378c4e83e7462931796 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 24 May 2024 19:50:59 -0500
Subject: [PATCH 2088/2654] Hexagonal Lattice Roundtrip (#3003)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/lattice.py                |  2 ++
 tests/unit_tests/test_lattice.py | 43 ++++++++++++++++++++++++++++++++
 2 files changed, 45 insertions(+)

diff --git a/openmc/lattice.py b/openmc/lattice.py
index 6282cf21c..f7f9da8ea 100644
--- a/openmc/lattice.py
+++ b/openmc/lattice.py
@@ -1574,6 +1574,7 @@ class HexLattice(Lattice):
                             alpha -= 1
                             if not lat.is_valid_index((x, alpha, z)):
                                 # Reached the bottom
+                                j += 1
                                 break
                     j += 1
             else:
@@ -1593,6 +1594,7 @@ class HexLattice(Lattice):
 
                         # Check if we've reached the bottom
                         if y == -n_rings:
+                            j += 1
                             break
 
                         while not lat.is_valid_index((alpha, y, z)):
diff --git a/tests/unit_tests/test_lattice.py b/tests/unit_tests/test_lattice.py
index 6fa32760e..d72d9c5c3 100644
--- a/tests/unit_tests/test_lattice.py
+++ b/tests/unit_tests/test_lattice.py
@@ -377,3 +377,46 @@ def test_unset_universes():
     hex_lattice.pitch = (1.,)
     with pytest.raises(ValueError):
         hex_lattice.create_xml_subelement(elem)
+
+
+@pytest.mark.parametrize("orientation", ['x', 'y'])
+def test_hex_lattice_roundtrip(orientation):
+    openmc.reset_auto_ids()
+
+    # ensure that the lattice universes are the same on all axial levels
+    def check_lattice_universes(og_lattice, xml_lattice):
+        for axial_og, axial_rt in zip(og_lattice.universes, xml_lattice.universes):
+            for ring_og, ring_rt in zip(axial_og, axial_rt):
+                assert [u.id for u in ring_og] == [u.id for u in ring_rt]
+
+    latt = openmc.HexLattice()
+    latt.pitch = (1.0, 1.0)
+    latt.center = (0.0, 0.0, 0.0)
+    latt.orientation = orientation
+
+    # fill the lattice with universes in increasing order and repeat for
+    # the second actial level
+    lvl_one_univs = [openmc.Universe(cells=[openmc.Cell()]) for _ in range(19)]
+    lvl_one_univs = [lvl_one_univs[-12:], lvl_one_univs[1:7], lvl_one_univs[:1]]
+    latt.universes = [lvl_one_univs, lvl_one_univs]
+
+    geom = openmc.Geometry([openmc.Cell(fill=latt)])
+    geom.export_to_xml()
+
+    xml_geom = openmc.Geometry.from_xml(materials=openmc.Materials())
+
+    xml_latt = xml_geom.get_all_lattices()[latt.id]
+
+    check_lattice_universes(latt, xml_latt)
+
+    # same test but with unique universes for each axial level
+    lvl_two_univs = [openmc.Universe(cells=[openmc.Cell()]) for _ in range(19)]
+    lvl_two_univs = [lvl_two_univs[-12:], lvl_two_univs[1:7], lvl_two_univs[:1]]
+    latt.universes = [lvl_one_univs, lvl_two_univs]
+
+    geom.export_to_xml()
+
+    xml_geom = openmc.Geometry.from_xml(materials=openmc.Materials())
+    xml_latt = xml_geom.get_all_lattices()[latt.id]
+
+    check_lattice_universes(latt, xml_latt)

From 18cd81a6aad6a6aabc633571f0fd7030dbfcf89d Mon Sep 17 00:00:00 2001
From: Chris Wagner <72230352+chrwagne@users.noreply.github.com>
Date: Fri, 24 May 2024 23:27:37 -0400
Subject: [PATCH 2089/2654] added extra error checking on spherical mesh
 creation (#2973)

Co-authored-by: Jonathan Shimwell <drshimwell@gmail.com>
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/checkvalue.py          | 23 +++++++++++++++++++++++
 openmc/mesh.py                |  6 ++++++
 tests/unit_tests/test_mesh.py | 21 +++++++++++++++++++++
 3 files changed, 50 insertions(+)

diff --git a/openmc/checkvalue.py b/openmc/checkvalue.py
index 840306486..42df3e5ef 100644
--- a/openmc/checkvalue.py
+++ b/openmc/checkvalue.py
@@ -171,6 +171,29 @@ def check_length(name, value, length_min, length_max=None):
         raise ValueError(msg)
 
 
+def check_increasing(name: str, value, equality: bool = False):
+    """Ensure that a list's elements are strictly or loosely increasing.
+
+    Parameters
+    ----------
+    name : str
+        Description of value being checked
+    value : iterable
+        Object to check if increasing
+    equality : bool, optional
+        Whether equality is allowed. Defaults to False.
+
+    """
+    if equality:
+        if not np.all(np.diff(value) >= 0.0):
+            raise ValueError(f'Unable to set "{name}" to "{value}" since its '
+                             'elements must be increasing.')
+    elif not equality:
+        if not np.all(np.diff(value) > 0.0):
+            raise ValueError(f'Unable to set "{name}" to "{value}" since its '
+                             'elements must be strictly increasing.')
+
+
 def check_value(name, value, accepted_values):
     """Ensure that an object's value is contained in a set of acceptable values.
 
diff --git a/openmc/mesh.py b/openmc/mesh.py
index 8777da325..48263c205 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -1820,6 +1820,8 @@ class SphericalMesh(StructuredMesh):
     @r_grid.setter
     def r_grid(self, grid):
         cv.check_type('mesh r_grid', grid, Iterable, Real)
+        cv.check_length('mesh r_grid', grid, 2)
+        cv.check_increasing('mesh r_grid', grid)
         self._r_grid = np.asarray(grid, dtype=float)
 
     @property
@@ -1829,6 +1831,8 @@ class SphericalMesh(StructuredMesh):
     @theta_grid.setter
     def theta_grid(self, grid):
         cv.check_type('mesh theta_grid', grid, Iterable, Real)
+        cv.check_length('mesh theta_grid', grid, 2)
+        cv.check_increasing('mesh theta_grid', grid)
         self._theta_grid = np.asarray(grid, dtype=float)
 
     @property
@@ -1838,6 +1842,8 @@ class SphericalMesh(StructuredMesh):
     @phi_grid.setter
     def phi_grid(self, grid):
         cv.check_type('mesh phi_grid', grid, Iterable, Real)
+        cv.check_length('mesh phi_grid', grid, 2)
+        cv.check_increasing('mesh phi_grid', grid)
         self._phi_grid = np.asarray(grid, dtype=float)
 
     @property
diff --git a/tests/unit_tests/test_mesh.py b/tests/unit_tests/test_mesh.py
index c49930650..5bacd5fc6 100644
--- a/tests/unit_tests/test_mesh.py
+++ b/tests/unit_tests/test_mesh.py
@@ -132,6 +132,27 @@ def test_SphericalMesh_initiation():
     mesh.r_grid = (0, 11)
     assert (mesh.r_grid == np.array([0., 11.])).all()
 
+    # test invalid r_grid values
+    with pytest.raises(ValueError):
+        openmc.SphericalMesh(r_grid=[1, 1])
+
+    with pytest.raises(ValueError):
+        openmc.SphericalMesh(r_grid=[0])
+
+    # test invalid theta_grid values
+    with pytest.raises(ValueError):
+        openmc.SphericalMesh(r_grid=[1, 2], theta_grid=[1, 1])
+
+    with pytest.raises(ValueError):
+        openmc.SphericalMesh(r_grid=[1, 2], theta_grid=[0])
+
+    # test invalid phi_grid values
+    with pytest.raises(ValueError):
+        openmc.SphericalMesh(r_grid=[1, 2], phi_grid=[1, 1])
+
+    with pytest.raises(ValueError):
+        openmc.SphericalMesh(r_grid=[1, 2], phi_grid=[0])
+
     # waffles and pancakes are unfortunately not valid radii
     with pytest.raises(TypeError):
         openmc.SphericalMesh(('🧇', '🥞'))

From 0b686e365edffc9034802a1cfe1e433e18b6ecb2 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Sat, 25 May 2024 14:11:21 -0500
Subject: [PATCH 2090/2654] Correction for histogram interpolation of Tabular
 distributions (#2981)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/data/thermal.py         |  4 +--
 openmc/stats/univariate.py     | 60 ++++++++++++++++++----------------
 tests/unit_tests/test_stats.py | 23 +++++++++++--
 3 files changed, 54 insertions(+), 33 deletions(-)

diff --git a/openmc/data/thermal.py b/openmc/data/thermal.py
index f5841d9c9..6df171d3a 100644
--- a/openmc/data/thermal.py
+++ b/openmc/data/thermal.py
@@ -698,8 +698,8 @@ class ThermalScattering(EqualityMixin):
                 # add an outgoing energy 0 eV that has a PDF of 0 (and of
                 # course, a CDF of 0 as well).
                 if eout_i.c[0] > 0.:
-                    eout_i.x = np.insert(eout_i.x, 0, 0.)
-                    eout_i.p = np.insert(eout_i.p, 0, 0.)
+                    eout_i._x = np.insert(eout_i.x, 0, 0.)
+                    eout_i._p = np.insert(eout_i.p, 0, 0.)
                     eout_i.c = np.insert(eout_i.c, 0, 0.)
 
                     # For this added outgoing energy (of 0 eV) we add a set of
diff --git a/openmc/stats/univariate.py b/openmc/stats/univariate.py
index a0e86c3f8..f44bce67c 100644
--- a/openmc/stats/univariate.py
+++ b/openmc/stats/univariate.py
@@ -837,10 +837,11 @@ class Tabular(Univariate):
     x : Iterable of float
         Tabulated values of the random variable
     p : Iterable of float
-        Tabulated probabilities
+        Tabulated probabilities. For histogram interpolation, if the length of
+        `p` is the same as `x`, the last value is ignored.
     interpolation : {'histogram', 'linear-linear', 'linear-log', 'log-linear', 'log-log'}, optional
-        Indicate whether the density function is constant between tabulated
-        points or linearly-interpolated. Defaults to 'linear-linear'.
+        Indicates how the density function is interpolated between tabulated
+        points. Defaults to 'linear-linear'.
     ignore_negative : bool
         Ignore negative probabilities
 
@@ -850,9 +851,9 @@ class Tabular(Univariate):
         Tabulated values of the random variable
     p : numpy.ndarray
         Tabulated probabilities
-    interpolation : {'histogram', 'linear-linear', 'linear-log', 'log-linear', 'log-log'}, optional
-        Indicate whether the density function is constant between tabulated
-        points or linearly-interpolated.
+    interpolation : {'histogram', 'linear-linear', 'linear-log', 'log-linear', 'log-log'}
+        Indicates how the density function is interpolated between tabulated
+        points. Defaults to 'linear-linear'.
 
     """
 
@@ -863,35 +864,38 @@ class Tabular(Univariate):
             interpolation: str = 'linear-linear',
             ignore_negative: bool = False
         ):
-        self._ignore_negative = ignore_negative
-        self.x = x
-        self.p = p
         self.interpolation = interpolation
 
+        cv.check_type('tabulated values', x, Iterable, Real)
+        cv.check_type('tabulated probabilities', p, Iterable, Real)
+
+        x = np.array(x, dtype=float)
+        p = np.array(p, dtype=float)
+
+        if p.size > x.size:
+            raise ValueError('Number of probabilities exceeds number of table values.')
+        if self.interpolation != 'histogram' and x.size != p.size:
+            raise ValueError(f'Tabulated values ({x.size}) and probabilities '
+                             f'({p.size}) should have the same length')
+
+        if not ignore_negative:
+            for pk in p:
+                cv.check_greater_than('tabulated probability', pk, 0.0, True)
+
+        self._x = x
+        self._p = p
+
     def __len__(self):
-        return len(self.x)
+        return self.p.size
 
     @property
     def x(self):
         return self._x
 
-    @x.setter
-    def x(self, x):
-        cv.check_type('tabulated values', x, Iterable, Real)
-        self._x = np.array(x, dtype=float)
-
     @property
     def p(self):
         return self._p
 
-    @p.setter
-    def p(self, p):
-        cv.check_type('tabulated probabilities', p, Iterable, Real)
-        if not self._ignore_negative:
-            for pk in p:
-                cv.check_greater_than('tabulated probability', pk, 0.0, True)
-        self._p = np.array(p, dtype=float)
-
     @property
     def interpolation(self):
         return self._interpolation
@@ -907,7 +911,7 @@ class Tabular(Univariate):
         p = self.p
 
         if self.interpolation == 'histogram':
-            c[1:] = p[:-1] * np.diff(x)
+            c[1:] = p[:x.size-1] * np.diff(x)
         elif self.interpolation == 'linear-linear':
             c[1:] = 0.5 * (p[:-1] + p[1:]) * np.diff(x)
         else:
@@ -938,7 +942,7 @@ class Tabular(Univariate):
         elif self.interpolation == 'histogram':
             x_l = self.x[:-1]
             x_r = self.x[1:]
-            p_l = self.p[:-1]
+            p_l = self.p[:self.x.size-1]
             mean = (0.5 * (x_l + x_r) * (x_r - x_l) * p_l).sum()
         else:
             raise NotImplementedError('Can only compute mean for tabular '
@@ -952,7 +956,7 @@ class Tabular(Univariate):
 
     def normalize(self):
         """Normalize the probabilities stored on the distribution"""
-        self.p /= self.cdf().max()
+        self._p /= self.cdf().max()
 
     def sample(self, n_samples: int = 1, seed: typing.Optional[int] = None):
         rng = np.random.RandomState(seed)
@@ -1070,7 +1074,7 @@ class Tabular(Univariate):
             Integral of tabular distrbution
         """
         if self.interpolation == 'histogram':
-            return np.sum(np.diff(self.x) * self.p[:-1])
+            return np.sum(np.diff(self.x) * self.p[:self.x.size-1])
         elif self.interpolation == 'linear-linear':
             return trapezoid(self.p, self.x)
         else:
@@ -1346,7 +1350,7 @@ def combine_distributions(
     # Apply probabilites to continuous distributions
     for i in cont_index:
         dist = dist_list[i]
-        dist.p *= probs[i]
+        dist._p *= probs[i]
 
     if discrete_index:
         # Create combined discrete distribution
diff --git a/tests/unit_tests/test_stats.py b/tests/unit_tests/test_stats.py
index 761f26ab3..f5b467d03 100644
--- a/tests/unit_tests/test_stats.py
+++ b/tests/unit_tests/test_stats.py
@@ -92,7 +92,7 @@ def test_clip_discrete():
 
     with pytest.raises(ValueError):
         d.clip(-1.)
-    
+
     with pytest.raises(ValueError):
         d.clip(5)
 
@@ -188,8 +188,8 @@ def test_watt():
 
 
 def test_tabular():
-    x = np.array([0.0, 5.0, 7.0])
-    p = np.array([10.0, 20.0, 5.0])
+    x = np.array([0.0, 5.0, 7.0, 10.0])
+    p = np.array([10.0, 20.0, 5.0, 6.0])
     d = openmc.stats.Tabular(x, p, 'linear-linear')
     elem = d.to_xml_element('distribution')
 
@@ -217,6 +217,23 @@ def test_tabular():
     d.normalize()
     assert d.integral() == pytest.approx(1.0)
 
+    # ensure that passing a set of probabilities shorter than x works
+    # for histogram interpolation
+    d = openmc.stats.Tabular(x, p[:-1], interpolation='histogram')
+    d.cdf()
+    d.mean()
+    assert_sample_mean(d.sample(n_samples), d.mean())
+
+    # passing a shorter probability set should raise an error for linear-linear
+    with pytest.raises(ValueError):
+        d = openmc.stats.Tabular(x, p[:-1], interpolation='linear-linear')
+        d.cdf()
+
+    # Use probabilities of correct length for linear-linear interpolation and
+    # call the CDF method
+    d = openmc.stats.Tabular(x, p, interpolation='linear-linear')
+    d.cdf()
+
 
 def test_legendre():
     # Pu239 elastic scattering at 100 keV

From 342019971839c7195101af9ac1b169de3726742a Mon Sep 17 00:00:00 2001
From: Olek <45364492+yardasol@users.noreply.github.com>
Date: Tue, 28 May 2024 12:14:38 -0400
Subject: [PATCH 2091/2654] Fix `CylinderSector` and `IsogonalOctagon`
 translations (#3018)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/model/surface_composite.py          | 56 ++++++++++++++--------
 tests/unit_tests/test_surface_composite.py | 37 ++++++++------
 2 files changed, 59 insertions(+), 34 deletions(-)

diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index 6f9123311..1fa4234fb 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -90,7 +90,7 @@ class CylinderSector(CompositeSurface):
         counterclockwise direction with respect to the first basis axis
         (+y, +z, or +x). Must be greater than :attr:`theta1`.
     center : iterable of float
-       Coordinate for central axes of cylinders in the (y, z), (z, x), or (x, y)
+       Coordinate for central axes of cylinders in the (y, z), (x, z), or (x, y)
        basis. Defaults to (0,0).
     axis : {'x', 'y', 'z'}
         Central axis of the cylinders defining the inner and outer surfaces of
@@ -133,13 +133,13 @@ class CylinderSector(CompositeSurface):
         phi2 = pi / 180 * theta2
 
         # Coords for axis-perpendicular planes
-        p1 = np.array([0., 0., 1.])
+        p1 = np.array([center[0], center[1], 1.])
 
-        p2_plane1 = np.array([r1 * cos(phi1), r1 * sin(phi1), 0.])
-        p3_plane1 = np.array([r2 * cos(phi1), r2 * sin(phi1), 0.])
+        p2_plane1 = np.array([r1 * cos(phi1) + center[0], r1 * sin(phi1) + center[1], 0.])
+        p3_plane1 = np.array([r2 * cos(phi1) + center[0], r2 * sin(phi1) + center[1], 0.])
 
-        p2_plane2 = np.array([r1 * cos(phi2), r1 * sin(phi2), 0.])
-        p3_plane2 = np.array([r2 * cos(phi2), r2 * sin(phi2), 0.])
+        p2_plane2 = np.array([r1 * cos(phi2) + center[0], r1 * sin(phi2)+ center[1], 0.])
+        p3_plane2 = np.array([r2 * cos(phi2) + center[0], r2 * sin(phi2)+ center[1], 0.])
 
         points = [p1, p2_plane1, p3_plane1, p2_plane2, p3_plane2]
         if axis == 'z':
@@ -147,7 +147,7 @@ class CylinderSector(CompositeSurface):
             self.inner_cyl = openmc.ZCylinder(*center, r1, **kwargs)
             self.outer_cyl = openmc.ZCylinder(*center, r2, **kwargs)
         elif axis == 'y':
-            coord_map = [1, 2, 0]
+            coord_map = [0, 2, 1]
             self.inner_cyl = openmc.YCylinder(*center, r1, **kwargs)
             self.outer_cyl = openmc.YCylinder(*center, r2, **kwargs)
         elif axis == 'x':
@@ -155,6 +155,7 @@ class CylinderSector(CompositeSurface):
             self.inner_cyl = openmc.XCylinder(*center, r1, **kwargs)
             self.outer_cyl = openmc.XCylinder(*center, r2, **kwargs)
 
+        # Reorder the points to correspond to the correct central axis
         for p in points:
             p[:] = p[coord_map]
 
@@ -192,8 +193,8 @@ class CylinderSector(CompositeSurface):
             with respect to the first basis axis (+y, +z, or +x). Note that
             negative values translate to an offset in the clockwise direction.
         center : iterable of float
-            Coordinate for central axes of cylinders in the (y, z), (z, x), or (x, y)
-            basis. Defaults to (0,0).
+            Coordinate for central axes of cylinders in the (y, z), (x, z), or
+            (x, y) basis. Defaults to (0,0).
         axis : {'x', 'y', 'z'}
             Central axis of the cylinders defining the inner and outer surfaces
             of the sector. Defaults to 'z'.
@@ -216,10 +217,16 @@ class CylinderSector(CompositeSurface):
         return cls(r1, r2, theta1, theta2, center=center, axis=axis, **kwargs)
 
     def __neg__(self):
-        return -self.outer_cyl & +self.inner_cyl & -self.plane1 & +self.plane2
+        if isinstance(self.inner_cyl, openmc.YCylinder):
+            return -self.outer_cyl & +self.inner_cyl & +self.plane1 & -self.plane2
+        else:
+            return -self.outer_cyl & +self.inner_cyl & -self.plane1 & +self.plane2
 
     def __pos__(self):
-        return +self.outer_cyl | -self.inner_cyl | +self.plane1 | -self.plane2
+        if isinstance(self.inner_cyl, openmc.YCylinder):
+            return +self.outer_cyl | -self.inner_cyl | -self.plane1 | +self.plane2
+        else:
+            return +self.outer_cyl | -self.inner_cyl | +self.plane1 | -self.plane2
 
 
 class IsogonalOctagon(CompositeSurface):
@@ -284,11 +291,11 @@ class IsogonalOctagon(CompositeSurface):
         c1, c2 = center
 
         # Coords for axis-perpendicular planes
-        ctop = c1 + r1
-        cbottom = c1 - r1
+        cright = c1 + r1
+        cleft = c1 - r1
 
-        cright = c2 + r1
-        cleft = c2 - r1
+        ctop = c2 + r1
+        cbottom = c2 - r1
 
         # Side lengths
         if r2 > r1 * sqrt(2):
@@ -309,7 +316,16 @@ class IsogonalOctagon(CompositeSurface):
         p2_lr = np.array([L_basis_ax, -r1, 0.])
         p3_lr = np.array([L_basis_ax, -r1, 1.])
 
-        points = [p1_ur, p2_ur, p3_ur, p1_lr, p2_lr, p3_lr]
+        p1_ll = -p1_ur
+        p2_ll = -p2_ur
+        p3_ll = -p3_ur
+
+        p1_ul = -p1_lr
+        p2_ul = -p2_lr
+        p3_ul = -p3_lr
+
+        points = [p1_ur, p2_ur, p3_ur, p1_lr, p2_lr, p3_lr,
+                  p1_ll, p2_ll, p3_ll, p1_ul, p2_ul, p3_ul]
 
         # Orientation specific variables
         if axis == 'z':
@@ -331,17 +347,19 @@ class IsogonalOctagon(CompositeSurface):
             self.right = openmc.YPlane(cright, **kwargs)
             self.left = openmc.YPlane(cleft, **kwargs)
 
-        # Put our coordinates in (x,y,z) order
+        # Put our coordinates in (x,y,z) order and add the offset
         for p in points:
+            p[0] += c1
+            p[1] += c2
             p[:] = p[coord_map]
 
         self.upper_right = openmc.Plane.from_points(p1_ur, p2_ur, p3_ur,
                                                     **kwargs)
         self.lower_right = openmc.Plane.from_points(p1_lr, p2_lr, p3_lr,
                                                     **kwargs)
-        self.lower_left = openmc.Plane.from_points(-p1_ur, -p2_ur, -p3_ur,
+        self.lower_left = openmc.Plane.from_points(p1_ll, p2_ll, p3_ll,
                                                    **kwargs)
-        self.upper_left = openmc.Plane.from_points(-p1_lr, -p2_lr, -p3_lr,
+        self.upper_left = openmc.Plane.from_points(p1_ul, p2_ul, p3_ul,
                                                    **kwargs)
 
     def __neg__(self):
diff --git a/tests/unit_tests/test_surface_composite.py b/tests/unit_tests/test_surface_composite.py
index 19221212e..62ec18b32 100644
--- a/tests/unit_tests/test_surface_composite.py
+++ b/tests/unit_tests/test_surface_composite.py
@@ -158,18 +158,23 @@ def test_cone_one_sided(axis, point_pos, point_neg, ll_true):
 
 
 @pytest.mark.parametrize(
-    "axis, indices", [
-        ("X", [0, 1, 2]),
-        ("Y", [1, 2, 0]),
-        ("Z", [2, 0, 1]),
+    "axis, indices, center", [
+        ("X", [2, 0, 1], (0., 0.)),
+        ("Y", [0, 2, 1], (0., 0.)),
+        ("Z", [0, 1, 2], (0., 0.)),
+        ("X", [2, 0, 1], (10., 5.)),
+        ("Y", [0, 2, 1], (10., 5.)),
+        ("Z", [0, 1, 2], (10., 5.)),
+
     ]
 )
-def test_cylinder_sector(axis, indices):
+def test_cylinder_sector(axis, indices, center):
+    c1, c2 = center
     r1, r2 = 0.5, 1.5
     d = (r2 - r1) / 2
     phi1 = -60.
     phi2 = 60
-    s = openmc.model.CylinderSector(r1, r2, phi1, phi2,
+    s = openmc.model.CylinderSector(r1, r2, phi1, phi2, center=center,
                                     axis=axis.lower())
     assert isinstance(s.outer_cyl, getattr(openmc, axis + "Cylinder"))
     assert isinstance(s.inner_cyl, getattr(openmc, axis + "Cylinder"))
@@ -189,16 +194,18 @@ def test_cylinder_sector(axis, indices):
     assert np.all(np.isinf(ll))
     assert np.all(np.isinf(ur))
     ll, ur = (-s).bounding_box
-    assert ll == pytest.approx(np.roll([-np.inf, -r2, -r2], indices[0]))
-    assert ur == pytest.approx(np.roll([np.inf, r2, r2], indices[0]))
+    test_point_ll = np.array([-r2 + c1, -r2 + c2, -np.inf])
+    assert ll == pytest.approx(test_point_ll[indices])
+    test_point_ur = np.array([r2 + c1, r2 + c2, np.inf])
+    assert ur == pytest.approx(test_point_ur[indices])
 
     # __contains__ on associated half-spaces
-    point_pos = np.roll([0, r2 + 1, 0], indices[0])
-    assert point_pos in +s
-    assert point_pos not in -s
-    point_neg = np.roll([0, r1 + d, r1 + d], indices[0])
-    assert point_neg in -s
-    assert point_neg not in +s
+    point_pos = np.array([0 + c1, r2 + 1 + c2, 0])
+    assert point_pos[indices] in +s
+    assert point_pos[indices] not in -s
+    point_neg = np.array([r1 + d + c1, r1 + d + c2, 0])
+    assert point_neg[indices] in -s
+    assert point_neg[indices] not in +s
 
     # translate method
     t = uniform(-5.0, 5.0)
@@ -399,7 +406,7 @@ def test_polygon():
     with pytest.raises(ValueError):
         openmc.model.Polygon(rz_points)
 
-    # Test "M" shaped polygon 
+    # Test "M" shaped polygon
     points = np.array([[8.5151581, -17.988337],
                        [10.381711000000001, -17.988337],
                        [12.744357, -24.288728000000003],

From 2a53aba1c171773e11305a841e8b714d81c5e186 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Mon, 3 Jun 2024 11:34:37 -0500
Subject: [PATCH 2092/2654] Make sure direction is set when checking source
 spatial constraints (#3022)

---
 src/source.cpp | 1 +
 1 file changed, 1 insertion(+)

diff --git a/src/source.cpp b/src/source.cpp
index 405de998c..15fe8433b 100644
--- a/src/source.cpp
+++ b/src/source.cpp
@@ -211,6 +211,7 @@ bool Source::satisfies_spatial_constraints(Position r) const
 {
   GeometryState geom_state;
   geom_state.r() = r;
+  geom_state.u() = {0.0, 0.0, 1.0};
 
   // Reject particle if it's not in the geometry at all
   bool found = exhaustive_find_cell(geom_state);

From e6c5f56ee284530f447e4578fc97f8f899298cac Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Mon, 10 Jun 2024 18:18:04 +0100
Subject: [PATCH 2093/2654] Fixing plot xs for when plotting element string
 reaction (#3029)

---
 openmc/plotter.py                | 13 +++++++++----
 tests/unit_tests/test_plotter.py |  2 +-
 2 files changed, 10 insertions(+), 5 deletions(-)

diff --git a/openmc/plotter.py b/openmc/plotter.py
index 97ca5f929..aa3825f5e 100644
--- a/openmc/plotter.py
+++ b/openmc/plotter.py
@@ -59,10 +59,15 @@ def _get_legend_label(this, type):
     """Gets a label for the element or nuclide or material and reaction plotted"""
     if isinstance(this, str):
         if type in openmc.data.DADZ:
-            z, a, m = openmc.data.zam(this)
-            da, dz = openmc.data.DADZ[type]
-            gnds_name = openmc.data.gnds_name(z + dz, a + da, m)
-            return f'{this} {type} {gnds_name}'
+            if this in ELEMENT_NAMES:
+                return f'{this} {type}'
+            else:  # this is a nuclide so the legend can contain more information
+                z, a, m = openmc.data.zam(this)
+                da, dz = openmc.data.DADZ[type]
+                gnds_name = openmc.data.gnds_name(z + dz, a + da, m)
+                # makes a string with nuclide reaction and new nuclide
+                # For example "Be9 (n,2n) Be8"
+                return f'{this} {type} {gnds_name}'
         return f'{this} {type}'
     elif this.name == '':
         return f'Material {this.id} {type}'
diff --git a/tests/unit_tests/test_plotter.py b/tests/unit_tests/test_plotter.py
index 2c195c5e1..0220cec3e 100644
--- a/tests/unit_tests/test_plotter.py
+++ b/tests/unit_tests/test_plotter.py
@@ -75,7 +75,7 @@ def test_calculate_cexs_with_materials(test_mat):
 @pytest.mark.parametrize("this", ["Be", "Be9"])
 def test_plot_xs(this):
     from matplotlib.figure import Figure
-    assert isinstance(openmc.plot_xs({this: ['total', 'elastic']}), Figure)
+    assert isinstance(openmc.plot_xs({this: ['total', 'elastic', 16, '(n,2n)']}), Figure)
 
 
 def test_plot_xs_mat(test_mat):

From 88f3e4d21f3c86ba76858cca05cb4a36d453d0ca Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Mon, 10 Jun 2024 12:19:46 -0500
Subject: [PATCH 2094/2654] Allow mesh material homogenization to include or
 exclude voids (#3000)

---
 openmc/mesh.py                | 7 +++++++
 tests/unit_tests/test_mesh.py | 6 ++++++
 2 files changed, 13 insertions(+)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 48263c205..f0c0d7414 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -152,6 +152,7 @@ class MeshBase(IDManagerMixin, ABC):
             model: openmc.Model,
             n_samples: int = 10_000,
             prn_seed: Optional[int] = None,
+            include_void: bool = True,
             **kwargs
     ) -> List[openmc.Material]:
         """Generate homogenized materials over each element in a mesh.
@@ -168,6 +169,8 @@ class MeshBase(IDManagerMixin, ABC):
         prn_seed : int, optional
             Pseudorandom number generator (PRNG) seed; if None, one will be
             generated randomly.
+        include_void : bool, optional
+            Whether homogenization should include voids.
         **kwargs
             Keyword-arguments passed to :func:`openmc.lib.init`.
 
@@ -222,6 +225,10 @@ class MeshBase(IDManagerMixin, ABC):
                 material_ids.pop(index_void)
                 volumes.pop(index_void)
 
+            # If void should be excluded, adjust total volume
+            if not include_void:
+                total_volume = sum(volumes)
+
             # Compute volume fractions
             volume_fracs = np.array(volumes) / total_volume
 
diff --git a/tests/unit_tests/test_mesh.py b/tests/unit_tests/test_mesh.py
index 5bacd5fc6..0f7f71cea 100644
--- a/tests/unit_tests/test_mesh.py
+++ b/tests/unit_tests/test_mesh.py
@@ -386,3 +386,9 @@ def test_mesh_get_homogenized_materials():
 
     # Mesh element that overlaps void should have half density
     assert m4.get_mass_density('H1') == pytest.approx(0.5, rel=1e-2)
+
+    # If not including void, density of homogenized material should be same as
+    # original material
+    m5, = mesh_void.get_homogenized_materials(
+        model, n_samples=1000, include_void=False)
+    assert m5.get_mass_density('H1') == pytest.approx(1.0)

From 12a278b1acc6c3ba85c6ec07ff6657ca476c4cb6 Mon Sep 17 00:00:00 2001
From: kmeag <143649668+kmeag@users.noreply.github.com>
Date: Mon, 10 Jun 2024 15:54:59 -0400
Subject: [PATCH 2095/2654] Enforce lower_left in lattice geometry (#2982)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/lattice.py | 4 ++++
 1 file changed, 4 insertions(+)

diff --git a/openmc/lattice.py b/openmc/lattice.py
index f7f9da8ea..518068560 100644
--- a/openmc/lattice.py
+++ b/openmc/lattice.py
@@ -884,6 +884,10 @@ class RectLattice(Lattice):
         dimension = ET.SubElement(lattice_subelement, "dimension")
         dimension.text = ' '.join(map(str, self.shape))
 
+        # Make sure lower_left has been specified
+        if self.lower_left is None:
+            raise ValueError(f"Lattice {self.id} does not have lower_left specified.")
+
         # Export Lattice lower left
         lower_left = ET.SubElement(lattice_subelement, "lower_left")
         lower_left.text = ' '.join(map(str, self._lower_left))

From e971bd121313b1e9c7113385751ffd9c793e4a95 Mon Sep 17 00:00:00 2001
From: hsameer481 <165707775+hsameer481@users.noreply.github.com>
Date: Mon, 10 Jun 2024 17:31:00 -0400
Subject: [PATCH 2096/2654] added error checking on cylindrical mesh  (#2977)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/mesh.py                                | 21 +++++++++--
 tests/unit_tests/mesh_to_vtk/test_vtk_dims.py |  2 +-
 tests/unit_tests/test_mesh.py                 | 36 +++++++++++++++++++
 3 files changed, 55 insertions(+), 4 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index f0c0d7414..215c91923 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -1388,6 +1388,8 @@ class CylindricalMesh(StructuredMesh):
     @r_grid.setter
     def r_grid(self, grid):
         cv.check_type('mesh r_grid', grid, Iterable, Real)
+        cv.check_length('mesh r_grid', grid, 2)
+        cv.check_increasing('mesh r_grid', grid)
         self._r_grid = np.asarray(grid, dtype=float)
 
     @property
@@ -1397,7 +1399,12 @@ class CylindricalMesh(StructuredMesh):
     @phi_grid.setter
     def phi_grid(self, grid):
         cv.check_type('mesh phi_grid', grid, Iterable, Real)
-        self._phi_grid = np.asarray(grid, dtype=float)
+        cv.check_length('mesh phi_grid', grid, 2)
+        cv.check_increasing('mesh phi_grid', grid)
+        grid = np.asarray(grid, dtype=float)
+        if np.any((grid < 0.0) | (grid > 2*pi)):
+            raise ValueError("phi_grid values must be in [0, 2π].")
+        self._phi_grid = grid
 
     @property
     def z_grid(self):
@@ -1406,6 +1413,8 @@ class CylindricalMesh(StructuredMesh):
     @z_grid.setter
     def z_grid(self, grid):
         cv.check_type('mesh z_grid', grid, Iterable, Real)
+        cv.check_length('mesh z_grid', grid, 2)
+        cv.check_increasing('mesh z_grid', grid)
         self._z_grid = np.asarray(grid, dtype=float)
 
     @property
@@ -1840,7 +1849,10 @@ class SphericalMesh(StructuredMesh):
         cv.check_type('mesh theta_grid', grid, Iterable, Real)
         cv.check_length('mesh theta_grid', grid, 2)
         cv.check_increasing('mesh theta_grid', grid)
-        self._theta_grid = np.asarray(grid, dtype=float)
+        grid = np.asarray(grid, dtype=float)
+        if np.any((grid < 0.0) | (grid > pi)):
+            raise ValueError("theta_grid values must be in [0, π].")
+        self._theta_grid = grid
 
     @property
     def phi_grid(self):
@@ -1851,7 +1863,10 @@ class SphericalMesh(StructuredMesh):
         cv.check_type('mesh phi_grid', grid, Iterable, Real)
         cv.check_length('mesh phi_grid', grid, 2)
         cv.check_increasing('mesh phi_grid', grid)
-        self._phi_grid = np.asarray(grid, dtype=float)
+        grid = np.asarray(grid, dtype=float)
+        if np.any((grid < 0.0) | (grid > 2*pi)):
+            raise ValueError("phi_grid values must be in [0, 2π].")
+        self._phi_grid = grid
 
     @property
     def _grids(self):
diff --git a/tests/unit_tests/mesh_to_vtk/test_vtk_dims.py b/tests/unit_tests/mesh_to_vtk/test_vtk_dims.py
index baa544984..0b6acf5aa 100644
--- a/tests/unit_tests/mesh_to_vtk/test_vtk_dims.py
+++ b/tests/unit_tests/mesh_to_vtk/test_vtk_dims.py
@@ -153,7 +153,7 @@ def test_write_data_to_vtk_round_trip(run_in_tmpdir):
 
     smesh = openmc.SphericalMesh(
         r_grid=(0.0, 1.0, 2.0),
-        theta_grid=(0.0, 2.0, 4.0, 5.0),
+        theta_grid=(0.0, 0.5, 1.0, 2.0),
         phi_grid=(0.0, 3.0, 6.0),
     )
     rmesh = openmc.RegularMesh()
diff --git a/tests/unit_tests/test_mesh.py b/tests/unit_tests/test_mesh.py
index 0f7f71cea..ed08be816 100644
--- a/tests/unit_tests/test_mesh.py
+++ b/tests/unit_tests/test_mesh.py
@@ -189,6 +189,42 @@ def test_CylindricalMesh_initiation():
         openmc.SphericalMesh(('🧇', '🥞'))
 
 
+def test_invalid_cylindrical_mesh_errors():
+    # Test invalid r_grid values
+    with pytest.raises(ValueError):
+        openmc.CylindricalMesh(r_grid=[5, 1], phi_grid=[0, pi], z_grid=[0, 10])
+
+    with pytest.raises(ValueError):
+        openmc.CylindricalMesh(r_grid=[1, 2, 4, 3], phi_grid=[0, pi], z_grid=[0, 10])
+
+    with pytest.raises(ValueError):
+        openmc.CylindricalMesh(r_grid=[1], phi_grid=[0, pi], z_grid=[0, 10])
+
+    # Test invalid phi_grid values
+    with pytest.raises(ValueError):
+        openmc.CylindricalMesh(r_grid=[0, 1, 2], phi_grid=[-1, 3], z_grid=[0, 10])
+
+    with pytest.raises(ValueError):
+        openmc.CylindricalMesh(
+            r_grid=[0, 1, 2],
+            phi_grid=[0, 2*pi + 0.1],
+            z_grid=[0, 10]
+        )
+
+    with pytest.raises(ValueError):
+        openmc.CylindricalMesh(r_grid=[0, 1, 2], phi_grid=[pi], z_grid=[0, 10])
+
+    # Test invalid z_grid values
+    with pytest.raises(ValueError):
+        openmc.CylindricalMesh(r_grid=[0, 1, 2], phi_grid=[0, pi], z_grid=[5])
+
+    with pytest.raises(ValueError):
+        openmc.CylindricalMesh(r_grid=[0, 1, 2], phi_grid=[0, pi], z_grid=[5, 1])
+
+    with pytest.raises(ValueError):
+        openmc.CylindricalMesh(r_grid=[1, 2, 4, 3], phi_grid=[0, pi], z_grid=[0, 10, 5])
+
+
 def test_centroids():
     # regular mesh
     mesh = openmc.RegularMesh()

From 8b33615ac2d016ffde636f2a7f918c883094a3f0 Mon Sep 17 00:00:00 2001
From: Isaac Meyer <isaacmeyer0@gmail.com>
Date: Tue, 11 Jun 2024 22:37:28 -0400
Subject: [PATCH 2097/2654] fix shannon entropy broken link (#3034)

---
 docs/source/methods/eigenvalue.rst | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/docs/source/methods/eigenvalue.rst b/docs/source/methods/eigenvalue.rst
index 41bf86549..b63723c02 100644
--- a/docs/source/methods/eigenvalue.rst
+++ b/docs/source/methods/eigenvalue.rst
@@ -142,7 +142,7 @@ than unity. By ensuring that the expected number of fission sites in each mesh
 cell is constant, the collision density across all cells, and hence the variance
 of tallies, is more uniform than it would be otherwise.
 
-.. _Shannon entropy: https://laws.lanl.gov/vhosts/mcnp.lanl.gov/pdf_files/la-ur-06-3737.pdf
+.. _Shannon entropy: https://mcnp.lanl.gov/pdf_files/TechReport_2006_LANL_LA-UR-06-3737_Brown.pdf
 
 .. [Lieberoth] J. Lieberoth, "A Monte Carlo Technique to Solve the Static
    Eigenvalue Problem of the Boltzmann Transport Equation," *Nukleonik*, **11**,

From 1f3280461fa41e22dbc563324c98fcf53179d61b Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 11 Jun 2024 21:49:01 -0500
Subject: [PATCH 2098/2654] Make sure skewed dataset is cast to bool properly
 (#3001)

---
 openmc/data/njoy.py                 | 2 +-
 openmc/data/thermal_angle_energy.py | 2 +-
 2 files changed, 2 insertions(+), 2 deletions(-)

diff --git a/openmc/data/njoy.py b/openmc/data/njoy.py
index c1dcbab17..ac1b5e345 100644
--- a/openmc/data/njoy.py
+++ b/openmc/data/njoy.py
@@ -453,7 +453,7 @@ def make_ace_thermal(filename, filename_thermal, temperatures=None,
     error : float, optional
         Fractional error tolerance for NJOY processing
     iwt : int
-        `iwt` parameter used in NJOR/ACER card 9
+        `iwt` parameter used in NJOY/ACER card 9
     evaluation : openmc.data.endf.Evaluation, optional
         If the ENDF neutron sublibrary file contains multiple material
         evaluations, this argument indicates which evaluation to use.
diff --git a/openmc/data/thermal_angle_energy.py b/openmc/data/thermal_angle_energy.py
index 0dd2a0b7a..4789ebcc6 100644
--- a/openmc/data/thermal_angle_energy.py
+++ b/openmc/data/thermal_angle_energy.py
@@ -225,7 +225,7 @@ class IncoherentInelasticAEDiscrete(AngleEnergy):
         """
         energy_out = group['energy_out'][()]
         mu_out = group['mu_out'][()]
-        skewed = bool(group['skewed'])
+        skewed = bool(group['skewed'][()])
         return cls(energy_out, mu_out, skewed)
 
 

From dcb80338c5794490a99db58bbcdc7c25a9dd0439 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 11 Jun 2024 21:56:31 -0500
Subject: [PATCH 2099/2654] Eliminate deprecation warnings from scipy and
 pandas (#2951)

---
 openmc/data/photon.py                | 12 +++++++-----
 openmc/mgxs_library.py               | 18 ++++++++++++------
 tests/unit_tests/test_data_photon.py |  7 ++++---
 3 files changed, 23 insertions(+), 14 deletions(-)

diff --git a/openmc/data/photon.py b/openmc/data/photon.py
index c9d51f062..0d0419f07 100644
--- a/openmc/data/photon.py
+++ b/openmc/data/photon.py
@@ -124,7 +124,7 @@ class AtomicRelaxation(EqualityMixin):
         Dictionary indicating the number of electrons in a subshell when neutral
         (values) for given subshells (keys). The subshells should be given as
         strings, e.g., 'K', 'L1', 'L2', etc.
-    transitions : pandas.DataFrame
+    transitions : dict of str to pandas.DataFrame
         Dictionary indicating allowed transitions and their probabilities
         (values) for given subshells (keys). The subshells should be given as
         strings, e.g., 'K', 'L1', 'L2', etc. The transitions are represented as
@@ -363,8 +363,9 @@ class AtomicRelaxation(EqualityMixin):
                 df = pd.DataFrame(sub_group['transitions'][()],
                                   columns=columns)
                 # Replace float indexes back to subshell strings
-                df[columns[:2]] = df[columns[:2]].replace(
-                              np.arange(float(len(_SUBSHELLS))), _SUBSHELLS)
+                with pd.option_context('future.no_silent_downcasting', True):
+                    df[columns[:2]] = df[columns[:2]].replace(
+                                np.arange(float(len(_SUBSHELLS))), _SUBSHELLS)
                 transitions[shell] = df
 
         return cls(binding_energy, num_electrons, transitions)
@@ -387,8 +388,9 @@ class AtomicRelaxation(EqualityMixin):
 
         # Write transition data with replacements
         if shell in self.transitions:
-            df = self.transitions[shell].replace(
-                 _SUBSHELLS, range(len(_SUBSHELLS)))
+            with pd.option_context('future.no_silent_downcasting', True):
+                df = self.transitions[shell].replace(
+                    _SUBSHELLS, range(len(_SUBSHELLS)))
             group.create_dataset('transitions', data=df.values.astype(float))
 
 
diff --git a/openmc/mgxs_library.py b/openmc/mgxs_library.py
index 642da83d1..d1b962890 100644
--- a/openmc/mgxs_library.py
+++ b/openmc/mgxs_library.py
@@ -3,7 +3,7 @@ from numbers import Real, Integral
 
 import h5py
 import numpy as np
-from scipy.integrate import simps
+import scipy.integrate
 from scipy.interpolate import interp1d
 from scipy.special import eval_legendre
 
@@ -1823,6 +1823,12 @@ class XSdata:
         # Reset and re-generate XSdata.xs_shapes with the new scattering format
         xsdata._xs_shapes = None
 
+        # scipy 1.11+ prefers 'simpson', whereas older versions use 'simps'
+        if hasattr(scipy.integrate, 'simpson'):
+            integrate = scipy.integrate.simpson
+        else:
+            integrate = scipy.integrate.simps
+
         for i, temp in enumerate(xsdata.temperatures):
             orig_data = self._scatter_matrix[i]
             new_shape = orig_data.shape[:-1] + (xsdata.num_orders,)
@@ -1860,7 +1866,7 @@ class XSdata:
                                 table_fine[..., imu] += ((l + 0.5)
                                      * eval_legendre(l, mu_fine[imu]) *
                                      orig_data[..., l])
-                        new_data[..., h_bin] = simps(table_fine, mu_fine)
+                        new_data[..., h_bin] = integrate(table_fine, mu_fine)
 
             elif self.scatter_format == SCATTER_TABULAR:
                 # Calculate the mu points of the current data
@@ -1874,7 +1880,7 @@ class XSdata:
                     for l in range(xsdata.num_orders):
                         y = (interp1d(mu_self, orig_data)(mu_fine) *
                              eval_legendre(l, mu_fine))
-                        new_data[..., l] = simps(y, mu_fine)
+                        new_data[..., l] = integrate(y, mu_fine)
 
                 elif target_format == SCATTER_TABULAR:
                     # Simply use an interpolating function to get the new data
@@ -1893,7 +1899,7 @@ class XSdata:
                     interp = interp1d(mu_self, orig_data)
                     for h_bin in range(xsdata.num_orders):
                         mu_fine = np.linspace(mu[h_bin], mu[h_bin + 1], _NMU)
-                        new_data[..., h_bin] = simps(interp(mu_fine), mu_fine)
+                        new_data[..., h_bin] = integrate(interp(mu_fine), mu_fine)
 
             elif self.scatter_format == SCATTER_HISTOGRAM:
                 # The histogram format does not have enough information to
@@ -1919,7 +1925,7 @@ class XSdata:
                     mu_fine = np.linspace(-1, 1, _NMU)
                     for l in range(xsdata.num_orders):
                         y = interp(mu_fine) * norm * eval_legendre(l, mu_fine)
-                        new_data[..., l] = simps(y, mu_fine)
+                        new_data[..., l] = integrate(y, mu_fine)
 
                 elif target_format == SCATTER_TABULAR:
                     # Simply use an interpolating function to get the new data
@@ -1938,7 +1944,7 @@ class XSdata:
                     for h_bin in range(xsdata.num_orders):
                         mu_fine = np.linspace(mu[h_bin], mu[h_bin + 1], _NMU)
                         new_data[..., h_bin] = \
-                            norm * simps(interp(mu_fine), mu_fine)
+                            norm * integrate(interp(mu_fine), mu_fine)
 
             # Remove small values resulting from numerical precision issues
             new_data[..., np.abs(new_data) < 1.E-10] = 0.
diff --git a/tests/unit_tests/test_data_photon.py b/tests/unit_tests/test_data_photon.py
index f7274e9c1..171dd52f3 100644
--- a/tests/unit_tests/test_data_photon.py
+++ b/tests/unit_tests/test_data_photon.py
@@ -1,5 +1,3 @@
-#!/usr/bin/env python
-
 from collections.abc import Mapping, Callable
 import os
 from pathlib import Path
@@ -123,6 +121,8 @@ def test_reactions(element, reaction):
         reactions[18]
 
 
+# TODO: Remove skip when support is Python 3.9+
+@pytest.mark.skipif(not hasattr(pd.options, 'future'), reason='pandas version too old')
 @pytest.mark.parametrize('element', ['Pu'], indirect=True)
 def test_export_to_hdf5(tmpdir, element):
     filename = str(tmpdir.join('tmp.h5'))
@@ -146,8 +146,9 @@ def test_export_to_hdf5(tmpdir, element):
     # Export to hdf5 again
     element2.export_to_hdf5(filename, 'w')
 
+
 def test_photodat_only(run_in_tmpdir):
     endf_dir = Path(os.environ['OPENMC_ENDF_DATA'])
     photoatomic_file = endf_dir / 'photoat' / 'photoat-001_H_000.endf'
     data = openmc.data.IncidentPhoton.from_endf(photoatomic_file)
-    data.export_to_hdf5('tmp.h5', 'w')
\ No newline at end of file
+    data.export_to_hdf5('tmp.h5', 'w')

From 3e16c038fee8ee8699c290f9e89c338ec4c5cd9c Mon Sep 17 00:00:00 2001
From: Gavin Ridley <gavin.keith.ridley@gmail.com>
Date: Wed, 12 Jun 2024 17:33:55 -0500
Subject: [PATCH 2100/2654] only add png or h5 extension if not present in
 plots.py (#3036)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/plots.py | 21 ++++++++++++++++-----
 1 file changed, 16 insertions(+), 5 deletions(-)

diff --git a/openmc/plots.py b/openmc/plots.py
index df4a76633..02a44449b 100644
--- a/openmc/plots.py
+++ b/openmc/plots.py
@@ -171,8 +171,14 @@ def _get_plot_image(plot, cwd):
     from IPython.display import Image
 
     # Make sure .png file was created
-    stem = plot.filename if plot.filename is not None else f'plot_{plot.id}'
-    png_file = Path(cwd) / f'{stem}.png'
+    png_filename = plot.filename if plot.filename is not None else f'plot_{plot.id}'
+
+    # Add file extension if not already present. The C++ code added it
+    # automatically if it wasn't present.
+    if Path(png_filename).suffix != ".png":
+        png_filename += ".png"
+
+    png_file = Path(cwd) / png_filename
     if not png_file.exists():
         raise FileNotFoundError(
             f"Could not find .png image for plot {plot.id}. Your version of "
@@ -630,7 +636,7 @@ class Plot(PlotBase):
         cv.check_type('plot meshlines', meshlines, dict)
         if 'type' not in meshlines:
             msg = f'Unable to set the meshlines to "{meshlines}" which ' \
-                  'does not have a "type" key'
+                'does not have a "type" key'
             raise ValueError(msg)
 
         elif meshlines['type'] not in ['tally', 'entropy', 'ufs', 'cmfd']:
@@ -968,8 +974,13 @@ class Plot(PlotBase):
         # Run OpenMC in geometry plotting mode and produces a h5 file
         openmc.plot_geometry(False, openmc_exec, cwd)
 
-        stem = self.filename if self.filename is not None else f'plot_{self.id}'
-        h5_voxel_file = Path(cwd) / f'{stem}.h5'
+        h5_voxel_filename = self.filename if self.filename is not None else f'plot_{self.id}'
+
+        # Add file extension if not already present
+        if Path(h5_voxel_filename).suffix != ".h5":
+            h5_voxel_filename += ".h5"
+
+        h5_voxel_file = Path(cwd) / h5_voxel_filename
         if output is None:
             output = h5_voxel_file.with_suffix('.vti')
 

From b1b8a4c32834f82b0687600efbffa0e3181ef4c4 Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?Sigfrid=20Stj=C3=A4rnholm?= <sigfrid@stjarnholm.com>
Date: Thu, 13 Jun 2024 05:46:18 +0200
Subject: [PATCH 2101/2654] Set OpenMCOperator materials to the model materials
 when diff_burnable_mats = True (#2877)

---
 openmc/deplete/openmc_operator.py | 1 +
 1 file changed, 1 insertion(+)

diff --git a/openmc/deplete/openmc_operator.py b/openmc/deplete/openmc_operator.py
index ad7a3924b..75f0925c4 100644
--- a/openmc/deplete/openmc_operator.py
+++ b/openmc/deplete/openmc_operator.py
@@ -142,6 +142,7 @@ class OpenMCOperator(TransportOperator):
 
         if diff_burnable_mats:
             self._differentiate_burnable_mats()
+            self.materials = self.model.materials
 
         # Determine which nuclides have cross section data
         # This nuclides variables contains every nuclides

From 5222b343a4e7f21fa64d0d6be92292878e1f6ae3 Mon Sep 17 00:00:00 2001
From: John Tramm <john.tramm@gmail.com>
Date: Mon, 17 Jun 2024 11:02:20 -0500
Subject: [PATCH 2102/2654] Fixed Source Random Ray (#2988)

Co-authored-by: Gavin Ridley <gavin.keith.ridley@gmail.com>
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 docs/source/methods/random_ray.rst            |  48 ++-
 docs/source/usersguide/random_ray.rst         | 162 ++++++++-
 include/openmc/mgxs_interface.h               |   3 +
 .../openmc/random_ray/flat_source_domain.h    | 131 +++++--
 .../openmc/random_ray/random_ray_simulation.h |   3 +-
 include/openmc/source.h                       |   9 +-
 src/mgxs_interface.cpp                        |  10 +
 src/random_ray/flat_source_domain.cpp         | 296 +++++++++++++--
 src/random_ray/random_ray_simulation.cpp      |  95 +++--
 src/settings.cpp                              |   8 +-
 src/simulation.cpp                            |  14 +-
 .../random_ray_basic/results_true.dat         | 282 +++++++--------
 .../random_ray_fixed_source/__init__.py       |   0
 .../cell/inputs_true.dat                      | 204 +++++++++++
 .../cell/results_true.dat                     |  47 +++
 .../material/inputs_true.dat                  | 204 +++++++++++
 .../material/results_true.dat                 |  47 +++
 .../random_ray_fixed_source/test.py           | 339 ++++++++++++++++++
 .../universe/inputs_true.dat                  | 204 +++++++++++
 .../universe/results_true.dat                 |  47 +++
 .../random_ray_vacuum/results_true.dat        | 280 +++++++--------
 21 files changed, 2064 insertions(+), 369 deletions(-)
 create mode 100644 tests/regression_tests/random_ray_fixed_source/__init__.py
 create mode 100644 tests/regression_tests/random_ray_fixed_source/cell/inputs_true.dat
 create mode 100644 tests/regression_tests/random_ray_fixed_source/cell/results_true.dat
 create mode 100644 tests/regression_tests/random_ray_fixed_source/material/inputs_true.dat
 create mode 100644 tests/regression_tests/random_ray_fixed_source/material/results_true.dat
 create mode 100644 tests/regression_tests/random_ray_fixed_source/test.py
 create mode 100644 tests/regression_tests/random_ray_fixed_source/universe/inputs_true.dat
 create mode 100644 tests/regression_tests/random_ray_fixed_source/universe/results_true.dat

diff --git a/docs/source/methods/random_ray.rst b/docs/source/methods/random_ray.rst
index aa4367847..e0fff792e 100644
--- a/docs/source/methods/random_ray.rst
+++ b/docs/source/methods/random_ray.rst
@@ -94,8 +94,8 @@ Method of Characteristics
 The Boltzmann neutron transport equation is a partial differential equation
 (PDE) that describes the angular flux within a system. It is a balance equation,
 with the streaming and absorption terms typically appearing on the left hand
-side, which are balanced by the scattering source and fission source terms on
-the right hand side.
+side, which are balanced by the scattering source, fission, and fixed source
+terms on the right hand side.
 
 .. math::
     :label: transport
@@ -522,8 +522,8 @@ make their traversals, and summing these contributions up as in Equation
 improve the estimate of the source and scalar flux over many iterations, given
 that our initial starting source will just be a guess?
 
-The source :math:`Q^{n}` for iteration :math:`n` can be inferred
-from the scalar flux from the previous iteration :math:`n-1` as:
+In an eigenvalue simulation, the source :math:`Q^{n}` for iteration :math:`n`
+can be inferred from the scalar flux from the previous iteration :math:`n-1` as:
 
 .. math::
     :label: source_update
@@ -535,7 +535,7 @@ where :math:`Q^{n}(i, g)` is the total source (fission + scattering) in region
 :math:`g` must be computed by summing over the contributions from all groups
 :math:`g' \in G`.
 
-In a similar manner, the eigenvalue for iteration :math:`n` can be computed as:
+The eigenvalue for iteration :math:`n` can be computed as:
 
 .. math::
     :label: eigenvalue_update
@@ -576,6 +576,18 @@ and a similar substitution can be made to update Equation
 estimate is used, such that the total fission source from the previous iteration
 (:math:`n-1`) is also recomputed each iteration.
 
+In a fixed source simulation, the fission source is replaced by a user specified
+fixed source term :math:`Q_\text{fixed}(i,E)`, which is defined for each FSR and
+energy group. This additional source term is applied at this stage for
+generating the next iteration's source estimate as:
+
+.. math::
+    :label: fixed_source_update
+
+    Q^{n}(i, g) = Q_\text{fixed}(i,g) + \sum\limits^{G}_{g'} \Sigma_{s}(i,g,g') \phi^{n-1}(g')
+
+and no eigenvalue is computed.
+
 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
 Ray Starting Conditions and Inactive Length
 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
@@ -742,6 +754,32 @@ behavior if a single simulation cell is able to score to multiple filter mesh
 cells. In the future, the capability to fully support mesh tallies may be added
 to OpenMC, but for now this restriction needs to be respected.
 
+.. _usersguide_fixed_source_methods:
+
+------------
+Fixed Source
+------------
+
+The random ray solver in OpenMC can be used for both eigenvalue and fixed source
+problems. There are a few key differences between fixed source transport with
+random ray and Monte Carlo, however.
+
+- **Source definition:** In Monte Carlo, it is relatively easy to define various
+  source distributions, including point sources, surface sources, volume
+  sources, and even custom user sources -- all with varying angular and spatial
+  statistical distributions. In random ray, the natural way to include a fixed
+  source term is by adding a fixed (flat) contribution to specific flat source
+  regions. Thus, in the OpenMC implementation of random ray, particle sources
+  are restricted to being volumetric and isotropic, although different energy
+  spectrums are supported. Fixed sources can be applied to specific materials,
+  cells, or universes.
+
+- **Inactive batches:** In Monte Carlo, use of a fixed source implies that all
+  batches are active batches, as there is no longer a need to develop a fission
+  source distribution. However, in random ray mode, there is still a need to
+  develop the scattering source by way of inactive batches before beginning
+  active batches.
+
 ---------------------------
 Fundamental Sources of Bias
 ---------------------------
diff --git a/docs/source/usersguide/random_ray.rst b/docs/source/usersguide/random_ray.rst
index dad86c826..61f074650 100644
--- a/docs/source/usersguide/random_ray.rst
+++ b/docs/source/usersguide/random_ray.rst
@@ -40,13 +40,15 @@ Carlo, **inactive batches are required for both eigenvalue and fixed source
 solves in random ray mode** due to this additional need to converge the
 scattering source.
 
+.. warning::
+    Unlike Monte Carlo, the random ray solver still requires usage of inactive
+    batches when in fixed source mode so as to develop the scattering source.
+
 The additional burden of converging the scattering source generally results in a
 higher requirement for the number of inactive batches---often by an order of
 magnitude or more. For instance, it may be reasonable to only use 50 inactive
 batches for a light water reactor simulation with Monte Carlo, but random ray
-might require 500 or more inactive batches. Similar to Monte Carlo,
-:ref:`Shannon entropy <usersguide_entropy>` can be used to gauge whether the
-combined scattering and fission source has fully developed.
+might require 500 or more inactive batches.
 
 Similar to Monte Carlo, active batches are used in the random ray solver mode to
 accumulate and converge statistics on unknown quantities (i.e., the random ray
@@ -248,6 +250,8 @@ a larger value until the "low ray density" messages go away.
     ray lengths are sufficiently long to allow for transport to occur between
     source and target regions of interest.
 
+.. _usersguide_ray_source:
+
 ----------
 Ray Source
 ----------
@@ -261,7 +265,7 @@ that the source must not be limited to only fissionable regions. Additionally,
 the source box must cover the entire simulation domain. In the case of a
 simulation domain that is not box shaped, a box source should still be used to
 bound the domain but with the source limited to rejection sampling the actual
-simulation universe (which can be specified via the ``domains`` field of the
+simulation universe (which can be specified via the ``domains`` constraint of the
 :class:`openmc.IndependentSource` Python class). Similar to Monte Carlo sources,
 for two-dimensional problems (e.g., a 2D pincell) it is desirable to make the
 source bounded near the origin of the infinite dimension. An example of an
@@ -411,11 +415,78 @@ in the `OpenMC Jupyter notebook collection
     separate materials can be defined each with a separate multigroup dataset
     corresponding to a given temperature.
 
+---------------------------------
+Fixed Source and Eigenvalue Modes
+---------------------------------
+
+Both fixed source and eigenvalue modes are supported with the random ray solver
+in OpenMC. Modes can be selected as described in the :ref:`run modes section
+<usersguide_run_modes>`. In both modes, a ray source must be provided to let
+OpenMC know where to sample ray starting locations from, as discussed in the
+:ref:`ray source section <usersguide_ray_source>`. In fixed source mode, at
+least one regular source must be provided as well that represents the physical
+particle fixed source. As discussed in the :ref:`fixed source methodology
+section <usersguide_fixed_source_methods>`, the types of fixed sources supported
+in the random ray solver mode are limited compared to what is possible with the
+Monte Carlo solver.
+
+Currently, all of the following conditions must be met for the particle source
+to be valid in random ray mode:
+
+- One or more domain ids must be specified that indicate which cells, universes,
+  or materials the source applies to. This implicitly limits the source type to
+  being volumetric. This is specified via the ``domains`` constraint placed on the
+  :class:`openmc.IndependentSource` Python class.
+- The source must be isotropic (default for a source)
+- The source must use a discrete (i.e., multigroup) energy distribution. The
+  discrete energy distribution is input by defining a
+  :class:`openmc.stats.Discrete` Python class, and passed as the ``energy``
+  field of the :class:`openmc.IndependentSource` Python class.
+
+Any other spatial distribution information contained in a particle source will
+be ignored. Only the specified cell, material, or universe domains will be used
+to define the spatial location of the source, as the source will be applied
+during a pre-processing stage of OpenMC to all source regions that are contained
+within the specified domains for the source.
+
+When defining a :class:`openmc.stats.Discrete` object, note that the ``x`` field
+will correspond to the discrete energy points, and the ``p`` field will
+correspond to the discrete probabilities. It is recommended to select energy
+points that fall within energy groups rather than on boundaries between the
+groups. That is, if the problem contains two energy groups (with bin edges of
+1.0e-5, 1.0e-1, 1.0e7), then a good selection for the ``x`` field might be
+points of 1.0e-2 and 1.0e1.
+
+::
+
+    # Define geometry, etc.
+    ...
+    source_cell = openmc.Cell(fill=source_mat, name='cell where fixed source will be')
+    ...
+    # Define physical neutron fixed source
+    energy_points = [1.0e-2, 1.0e1]
+    strengths = [0.25, 0.75]
+    energy_distribution = openmc.stats.Discrete(x=energy_points, p=strengths)
+    neutron_source = openmc.IndependentSource(
+        energy=energy_distribution,
+        constraints={'domains': [source_cell]}
+    )
+
+    # Add fixed source and ray sampling source to settings file
+    settings.source = [neutron_source]
+
 ---------------------------------------
 Putting it All Together: Example Inputs
 ---------------------------------------
 
-An example of a settings definition for random ray is given below::
+~~~~~~~~~~~~~~~~~~
+Eigenvalue Example
+~~~~~~~~~~~~~~~~~~
+
+An example of a settings definition for an eigenvalue random ray simulation is
+given below:
+
+::
 
     # Geometry and MGXS material definition of 2x2 lattice (not shown)
     pitch = 1.26
@@ -478,3 +549,84 @@ Monte Carlo run (see the :ref:`geometry <usersguide_geometry>` and
 
 There is also a complete example of a pincell available in the
 ``openmc/examples/pincell_random_ray`` folder.
+
+~~~~~~~~~~~~~~~~~~~~
+Fixed Source Example
+~~~~~~~~~~~~~~~~~~~~
+
+An example of a settings definition for a fixed source random ray simulation is
+given below:
+
+::
+
+    # Geometry and MGXS material definition of 2x2 lattice (not shown)
+    pitch = 1.26
+    source_cell = openmc.Cell(fill=source_mat, name='cell where fixed source will be')
+    ebins = [1e-5, 1e-1, 20.0e6]
+    ...
+
+    # Instantiate a settings object for a random ray solve
+    settings = openmc.Settings()
+    settings.energy_mode = "multi-group"
+    settings.batches = 1200
+    settings.inactive = 600
+    settings.particles = 2000
+    settings.run_mode = 'fixed source'
+    settings.random_ray['distance_inactive'] = 40.0
+    settings.random_ray['distance_active'] = 400.0
+
+    # Create an initial uniform spatial source distribution for sampling rays
+    lower_left  = (-pitch, -pitch, -pitch)
+    upper_right = ( pitch,  pitch,  pitch)
+    uniform_dist = openmc.stats.Box(lower_left, upper_right)
+    settings.random_ray['ray_source'] = openmc.IndependentSource(space=uniform_dist)
+
+    # Define physical neutron fixed source
+    energy_points = [1.0e-2, 1.0e1]
+    strengths = [0.25, 0.75]
+    energy_distribution = openmc.stats.Discrete(x=energy_points, p=strengths)
+    neutron_source = openmc.IndependentSource(
+        energy=energy_distribution,
+        constraints={'domains': [source_cell]}
+    )
+
+    # Add fixed source and ray sampling source to settings file
+    settings.source = [neutron_source]
+
+    settings.export_to_xml()
+
+    # Define tallies
+
+    # Create a mesh filter
+    mesh = openmc.RegularMesh()
+    mesh.dimension = (2, 2)
+    mesh.lower_left = (-pitch/2, -pitch/2)
+    mesh.upper_right = (pitch/2, pitch/2)
+    mesh_filter = openmc.MeshFilter(mesh)
+
+    # Create a multigroup energy filter
+    energy_filter = openmc.EnergyFilter(ebins)
+
+    # Create tally using our two filters and add scores
+    tally = openmc.Tally()
+    tally.filters = [mesh_filter, energy_filter]
+    tally.scores = ['flux']
+
+    # Instantiate a Tallies collection and export to XML
+    tallies = openmc.Tallies([tally])
+    tallies.export_to_xml()
+
+    # Create voxel plot
+    plot = openmc.Plot()
+    plot.origin = [0, 0, 0]
+    plot.width = [2*pitch, 2*pitch, 1]
+    plot.pixels = [1000, 1000, 1]
+    plot.type = 'voxel'
+
+    # Instantiate a Plots collection and export to XML
+    plots = openmc.Plots([plot])
+    plots.export_to_xml()
+
+All other inputs (e.g., geometry, material) will be unchanged from a typical
+Monte Carlo run (see the :ref:`geometry <usersguide_geometry>` and
+:ref:`multigroup materials <create_mgxs>` user guides for more information).
diff --git a/include/openmc/mgxs_interface.h b/include/openmc/mgxs_interface.h
index 8bcdf6dc6..da074f825 100644
--- a/include/openmc/mgxs_interface.h
+++ b/include/openmc/mgxs_interface.h
@@ -46,6 +46,9 @@ public:
   // Get the kT values which are used in the OpenMC model
   vector<vector<double>> get_mat_kTs();
 
+  // Get the group index corresponding to a continuous energy
+  int get_group_index(double E);
+
   int num_energy_groups_;
   int num_delayed_groups_;
   vector<std::string> xs_names_;            // available names in HDF5 file
diff --git a/include/openmc/random_ray/flat_source_domain.h b/include/openmc/random_ray/flat_source_domain.h
index 5f64914ed..badbb25fc 100644
--- a/include/openmc/random_ray/flat_source_domain.h
+++ b/include/openmc/random_ray/flat_source_domain.h
@@ -3,9 +3,83 @@
 
 #include "openmc/openmp_interface.h"
 #include "openmc/position.h"
+#include "openmc/source.h"
 
 namespace openmc {
 
+//----------------------------------------------------------------------------
+// Helper Functions
+
+// The hash_combine function is the standard hash combine function from boost
+// that is typically used for combining multiple hash values into a single hash
+// as is needed for larger objects being stored in a hash map. The function is
+// taken from:
+// https://www.boost.org/doc/libs/1_55_0/doc/html/hash/reference.html#boost.hash_combine
+// which carries the following license:
+//
+// Boost Software License - Version 1.0 - August 17th, 2003
+// Permission is hereby granted, free of charge, to any person or organization
+// obtaining a copy of the software and accompanying documentation covered by
+// this license (the "Software") to use, reproduce, display, distribute,
+// execute, and transmit the Software, and to prepare derivative works of the
+// Software, and to permit third-parties to whom the Software is furnished to
+// do so, all subject to the following:
+// The copyright notices in the Software and this entire statement, including
+// the above license grant, this restriction and the following disclaimer,
+// must be included in all copies of the Software, in whole or in part, and
+// all derivative works of the Software, unless such copies or derivative
+// works are solely in the form of machine-executable object code generated by
+// a source language processor.
+// THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
+// IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
+// FITNESS FOR A PARTICULAR PURPOSE, TITLE AND NON-INFRINGEMENT. IN NO EVENT
+// SHALL THE COPYRIGHT HOLDERS OR ANYONE DISTRIBUTING THE SOFTWARE BE LIABLE
+// FOR ANY DAMAGES OR OTHER LIABILITY, WHETHER IN CONTRACT, TORT OR OTHERWISE,
+// ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER
+// DEALINGS IN THE SOFTWARE.
+inline void hash_combine(size_t& seed, const size_t v)
+{
+  seed ^= (v + 0x9e3779b9 + (seed << 6) + (seed >> 2));
+}
+
+//----------------------------------------------------------------------------
+// Helper Structs
+
+// A mapping object that is used to map between a specific random ray
+// source region and an OpenMC native tally bin that it should score to
+// every iteration.
+struct TallyTask {
+  int tally_idx;
+  int filter_idx;
+  int score_idx;
+  int score_type;
+  TallyTask(int tally_idx, int filter_idx, int score_idx, int score_type)
+    : tally_idx(tally_idx), filter_idx(filter_idx), score_idx(score_idx),
+      score_type(score_type)
+  {}
+  TallyTask() = default;
+
+  // Comparison and Hash operators are defined to allow usage of the
+  // TallyTask struct as a key in an unordered_set
+  bool operator==(const TallyTask& other) const
+  {
+    return tally_idx == other.tally_idx && filter_idx == other.filter_idx &&
+           score_idx == other.score_idx && score_type == other.score_type;
+  }
+
+  struct HashFunctor {
+    size_t operator()(const TallyTask& task) const
+    {
+      size_t seed = 0;
+      hash_combine(seed, task.tally_idx);
+      hash_combine(seed, task.filter_idx);
+      hash_combine(seed, task.score_idx);
+      hash_combine(seed, task.score_type);
+      return seed;
+    }
+  };
+};
+
 /*
  * The FlatSourceDomain class encompasses data and methods for storing
  * scalar flux and source region for all flat source regions in a
@@ -14,23 +88,6 @@ namespace openmc {
 
 class FlatSourceDomain {
 public:
-  //----------------------------------------------------------------------------
-  // Helper Structs
-
-  // A mapping object that is used to map between a specific random ray
-  // source region and an OpenMC native tally bin that it should score to
-  // every iteration.
-  struct TallyTask {
-    int tally_idx;
-    int filter_idx;
-    int score_idx;
-    int score_type;
-    TallyTask(int tally_idx, int filter_idx, int score_idx, int score_type)
-      : tally_idx(tally_idx), filter_idx(filter_idx), score_idx(score_idx),
-        score_type(score_type)
-    {}
-  };
-
   //----------------------------------------------------------------------------
   // Constructors
   FlatSourceDomain();
@@ -44,10 +101,13 @@ public:
   int64_t add_source_to_scalar_flux();
   void batch_reset();
   void convert_source_regions_to_tallies();
-  void random_ray_tally() const;
+  void reset_tally_volumes();
+  void random_ray_tally();
   void accumulate_iteration_flux();
   void output_to_vtk() const;
   void all_reduce_replicated_source_regions();
+  void convert_external_sources();
+  void count_external_source_regions();
 
   //----------------------------------------------------------------------------
   // Public Data members
@@ -55,6 +115,8 @@ public:
   bool mapped_all_tallies_ {false}; // If all source regions have been visited
 
   int64_t n_source_regions_ {0}; // Total number of source regions in the model
+  int64_t n_external_source_regions_ {0}; // Total number of source regions with
+                                          // non-zero external source terms
 
   // 1D array representing source region starting offset for each OpenMC Cell
   // in model::cells
@@ -72,18 +134,39 @@ public:
   vector<float> scalar_flux_old_;
   vector<float> scalar_flux_new_;
   vector<float> source_;
+  vector<float> external_source_;
+
+private:
+  //----------------------------------------------------------------------------
+  // Methods
+  void apply_external_source_to_source_region(
+    Discrete* discrete, double strength_factor, int64_t source_region);
+  void apply_external_source_to_cell_instances(int32_t i_cell,
+    Discrete* discrete, double strength_factor, int target_material_id,
+    const vector<int32_t>& instances);
+  void apply_external_source_to_cell_and_children(int32_t i_cell,
+    Discrete* discrete, double strength_factor, int32_t target_material_id);
 
   //----------------------------------------------------------------------------
   // Private data members
-private:
   int negroups_;                  // Number of energy groups in simulation
   int64_t n_source_elements_ {0}; // Total number of source regions in the model
                                   // times the number of energy groups
 
-  // 2D array representing values for all source regions x energy groups x tally
+  double
+    simulation_volume_; // Total physical volume of the simulation domain, as
+                        // defined by the 3D box of the random ray source
+
+  // 2D array representing values for all source elements x tally
   // tasks
   vector<vector<TallyTask>> tally_task_;
 
+  // 1D array representing values for all source regions, with each region
+  // containing a set of volume tally tasks. This more complicated data
+  // structure is convenient for ensuring that volumes are only tallied once per
+  // source region, regardless of how many energy groups are used for tallying.
+  vector<std::unordered_set<TallyTask, TallyTask::HashFunctor>> volume_task_;
+
   // 1D arrays representing values for all source regions
   vector<int> material_;
   vector<double> volume_t_;
@@ -92,6 +175,14 @@ private:
   // groups
   vector<float> scalar_flux_final_;
 
+  // Volumes for each tally and bin/score combination. This intermediate data
+  // structure is used when tallying quantities that must be normalized by
+  // volume (i.e., flux). The vector is index by tally index, while the inner 2D
+  // xtensor is indexed by bin index and score index in a similar manner to the
+  // results tensor in the Tally class, though without the third dimension, as
+  // SUM and SUM_SQ do not need to be tracked.
+  vector<xt::xtensor<double, 2>> tally_volumes_;
+
 }; // class FlatSourceDomain
 
 //============================================================================
diff --git a/include/openmc/random_ray/random_ray_simulation.h b/include/openmc/random_ray/random_ray_simulation.h
index cde0d27df..b439574bf 100644
--- a/include/openmc/random_ray/random_ray_simulation.h
+++ b/include/openmc/random_ray/random_ray_simulation.h
@@ -24,7 +24,8 @@ public:
   void instability_check(
     int64_t n_hits, double k_eff, double& avg_miss_rate) const;
   void print_results_random_ray(uint64_t total_geometric_intersections,
-    double avg_miss_rate, int negroups, int64_t n_source_regions) const;
+    double avg_miss_rate, int negroups, int64_t n_source_regions,
+    int64_t n_external_source_regions) const;
 
   //----------------------------------------------------------------------------
   // Data members
diff --git a/include/openmc/source.h b/include/openmc/source.h
index 9ef8b9251..5cc0356e3 100644
--- a/include/openmc/source.h
+++ b/include/openmc/source.h
@@ -52,6 +52,8 @@ extern vector<unique_ptr<Source>> external_sources;
 
 class Source {
 public:
+  // Domain types
+  enum class DomainType { UNIVERSE, MATERIAL, CELL };
   // Constructors, destructors
   Source() = default;
   explicit Source(pugi::xml_node node);
@@ -76,9 +78,6 @@ public:
   static unique_ptr<Source> create(pugi::xml_node node);
 
 protected:
-  // Domain types
-  enum class DomainType { UNIVERSE, MATERIAL, CELL };
-
   // Strategy used for rejecting sites when constraints are applied. KILL means
   // that sites are always accepted but if they don't satisfy constraints, they
   // are given weight 0. RESAMPLE means that a new source site will be sampled
@@ -134,6 +133,10 @@ public:
   Distribution* energy() const { return energy_.get(); }
   Distribution* time() const { return time_.get(); }
 
+  // Make domain type and ids available
+  DomainType domain_type() const { return domain_type_; }
+  const std::unordered_set<int32_t>& domain_ids() const { return domain_ids_; }
+
 protected:
   // Indicates whether derived class already handles constraints
   bool constraints_applied() const override { return true; }
diff --git a/src/mgxs_interface.cpp b/src/mgxs_interface.cpp
index d54211eca..0febc612b 100644
--- a/src/mgxs_interface.cpp
+++ b/src/mgxs_interface.cpp
@@ -15,6 +15,7 @@
 #include "openmc/material.h"
 #include "openmc/math_functions.h"
 #include "openmc/nuclide.h"
+#include "openmc/search.h"
 #include "openmc/settings.h"
 
 namespace openmc {
@@ -183,6 +184,15 @@ vector<vector<double>> MgxsInterface::get_mat_kTs()
 
 //==============================================================================
 
+int MgxsInterface::get_group_index(double E)
+{
+  int g =
+    lower_bound_index(rev_energy_bins_.begin(), rev_energy_bins_.end(), E);
+  return num_energy_groups_ - g - 1.;
+}
+
+//==============================================================================
+
 void MgxsInterface::read_header(const std::string& path_cross_sections)
 {
   // Save name of HDF5 file to be read to struct data
diff --git a/src/random_ray/flat_source_domain.cpp b/src/random_ray/flat_source_domain.cpp
index 5e1194aa9..7f5d76943 100644
--- a/src/random_ray/flat_source_domain.cpp
+++ b/src/random_ray/flat_source_domain.cpp
@@ -2,6 +2,7 @@
 
 #include "openmc/cell.h"
 #include "openmc/geometry.h"
+#include "openmc/material.h"
 #include "openmc/message_passing.h"
 #include "openmc/mgxs_interface.h"
 #include "openmc/output.h"
@@ -48,10 +49,19 @@ FlatSourceDomain::FlatSourceDomain() : negroups_(data::mg.num_energy_groups_)
 
   // Initialize element-wise arrays
   scalar_flux_new_.assign(n_source_elements_, 0.0);
-  scalar_flux_old_.assign(n_source_elements_, 1.0);
   scalar_flux_final_.assign(n_source_elements_, 0.0);
   source_.resize(n_source_elements_);
+  external_source_.assign(n_source_elements_, 0.0);
   tally_task_.resize(n_source_elements_);
+  volume_task_.resize(n_source_regions_);
+
+  if (settings::run_mode == RunMode::EIGENVALUE) {
+    // If in eigenvalue mode, set starting flux to guess of unity
+    scalar_flux_old_.assign(n_source_elements_, 1.0);
+  } else {
+    // If in fixed source mode, set starting flux to guess of zero
+    scalar_flux_old_.assign(n_source_elements_, 0.0);
+  }
 
   // Initialize material array
   int64_t source_region_id = 0;
@@ -68,6 +78,25 @@ FlatSourceDomain::FlatSourceDomain() : negroups_(data::mg.num_energy_groups_)
   if (source_region_id != n_source_regions_) {
     fatal_error("Unexpected number of source regions");
   }
+
+  // Initialize tally volumes
+  tally_volumes_.resize(model::tallies.size());
+  for (int i = 0; i < model::tallies.size(); i++) {
+    //  Get the shape of the 3D result tensor
+    auto shape = model::tallies[i]->results().shape();
+
+    // Create a new 2D tensor with the same size as the first
+    // two dimensions of the 3D tensor
+    tally_volumes_[i] =
+      xt::xtensor<double, 2>::from_shape({shape[0], shape[1]});
+  }
+
+  // Compute simulation domain volume based on ray source
+  auto* is = dynamic_cast<IndependentSource*>(RandomRay::ray_source_.get());
+  SpatialDistribution* space_dist = is->space();
+  SpatialBox* sb = dynamic_cast<SpatialBox*>(space_dist);
+  Position dims = sb->upper_right() - sb->lower_left();
+  simulation_volume_ = dims.x * dims.y * dims.z;
 }
 
 void FlatSourceDomain::batch_reset()
@@ -97,11 +126,11 @@ void FlatSourceDomain::update_neutron_source(double k_eff)
 
   // Temperature and angle indices, if using multiple temperature
   // data sets and/or anisotropic data sets.
-  // TODO: Currently assumes we are only using single temp/single
-  // angle data.
+  // TODO: Currently assumes we are only using single temp/single angle data.
   const int t = 0;
   const int a = 0;
 
+  // Add scattering source
 #pragma omp parallel for
   for (int sr = 0; sr < n_source_regions_; sr++) {
     int material = material_[sr];
@@ -110,23 +139,47 @@ void FlatSourceDomain::update_neutron_source(double k_eff)
       float sigma_t = data::mg.macro_xs_[material].get_xs(
         MgxsType::TOTAL, e_out, nullptr, nullptr, nullptr, t, a);
       float scatter_source = 0.0f;
-      float fission_source = 0.0f;
 
       for (int e_in = 0; e_in < negroups_; e_in++) {
         float scalar_flux = scalar_flux_old_[sr * negroups_ + e_in];
+
         float sigma_s = data::mg.macro_xs_[material].get_xs(
           MgxsType::NU_SCATTER, e_in, &e_out, nullptr, nullptr, t, a);
-        float nu_sigma_f = data::mg.macro_xs_[material].get_xs(
-          MgxsType::NU_FISSION, e_in, nullptr, nullptr, nullptr, t, a);
-        float chi = data::mg.macro_xs_[material].get_xs(
-          MgxsType::CHI_PROMPT, e_in, &e_out, nullptr, nullptr, t, a);
         scatter_source += sigma_s * scalar_flux;
-        fission_source += nu_sigma_f * scalar_flux * chi;
       }
 
-      fission_source *= inverse_k_eff;
-      float new_isotropic_source = (scatter_source + fission_source) / sigma_t;
-      source_[sr * negroups_ + e_out] = new_isotropic_source;
+      source_[sr * negroups_ + e_out] = scatter_source / sigma_t;
+    }
+  }
+
+  if (settings::run_mode == RunMode::EIGENVALUE) {
+    // Add fission source if in eigenvalue mode
+#pragma omp parallel for
+    for (int sr = 0; sr < n_source_regions_; sr++) {
+      int material = material_[sr];
+
+      for (int e_out = 0; e_out < negroups_; e_out++) {
+        float sigma_t = data::mg.macro_xs_[material].get_xs(
+          MgxsType::TOTAL, e_out, nullptr, nullptr, nullptr, t, a);
+        float fission_source = 0.0f;
+
+        for (int e_in = 0; e_in < negroups_; e_in++) {
+          float scalar_flux = scalar_flux_old_[sr * negroups_ + e_in];
+          float nu_sigma_f = data::mg.macro_xs_[material].get_xs(
+            MgxsType::NU_FISSION, e_in, nullptr, nullptr, nullptr, t, a);
+          float chi = data::mg.macro_xs_[material].get_xs(
+            MgxsType::CHI_PROMPT, e_in, &e_out, nullptr, nullptr, t, a);
+          fission_source += nu_sigma_f * scalar_flux * chi;
+        }
+        source_[sr * negroups_ + e_out] +=
+          fission_source * inverse_k_eff / sigma_t;
+      }
+    }
+  } else {
+// Add external source if in fixed source mode
+#pragma omp parallel for
+    for (int se = 0; se < n_source_elements_; se++) {
+      source_[se] += external_source_[se];
     }
   }
 
@@ -355,10 +408,14 @@ void FlatSourceDomain::convert_source_regions_to_tallies()
           for (auto score_index = 0; score_index < tally.scores_.size();
                score_index++) {
             auto score_bin = tally.scores_[score_index];
-            // If a valid tally, filter, and score cobination has been found,
+            // If a valid tally, filter, and score combination has been found,
             // then add it to the list of tally tasks for this source element.
-            tally_task_[source_element].emplace_back(
-              i_tally, filter_index, score_index, score_bin);
+            TallyTask task(i_tally, filter_index, score_index, score_bin);
+            tally_task_[source_element].push_back(task);
+
+            // Also add this task to the list of volume tasks for this source
+            // region.
+            volume_task_[sr].insert(task);
           }
         }
       }
@@ -372,6 +429,16 @@ void FlatSourceDomain::convert_source_regions_to_tallies()
   mapped_all_tallies_ = all_source_regions_mapped;
 }
 
+// Set the volume accumulators to zero for all tallies
+void FlatSourceDomain::reset_tally_volumes()
+{
+#pragma omp parallel for
+  for (int i = 0; i < tally_volumes_.size(); i++) {
+    auto& tensor = tally_volumes_[i];
+    tensor.fill(0.0); // Set all elements of the tensor to 0.0
+  }
+}
+
 // Tallying in random ray is not done directly during transport, rather,
 // it is done only once after each power iteration. This is made possible
 // by way of a mapping data structure that relates spatial source regions
@@ -381,10 +448,13 @@ void FlatSourceDomain::convert_source_regions_to_tallies()
 // tally function simply traverses the mapping data structure and executes
 // the scoring operations to OpenMC's native tally result arrays.
 
-void FlatSourceDomain::random_ray_tally() const
+void FlatSourceDomain::random_ray_tally()
 {
   openmc::simulation::time_tallies.start();
 
+  // Reset our tally volumes to zero
+  reset_tally_volumes();
+
   // Temperature and angle indices, if using multiple temperature
   // data sets and/or anisotropic data sets.
   // TODO: Currently assumes we are only using single temp/single
@@ -397,32 +467,46 @@ void FlatSourceDomain::random_ray_tally() const
 // them.
 #pragma omp parallel for
   for (int sr = 0; sr < n_source_regions_; sr++) {
-    double volume = volume_[sr];
+    // The fsr.volume_ is the unitless fractional simulation averaged volume
+    // (i.e., it is the FSR's fraction of the overall simulation volume). The
+    // simulation_volume_ is the total 3D physical volume in cm^3 of the entire
+    // global simulation domain (as defined by the ray source box). Thus, the
+    // FSR's true 3D spatial volume in cm^3 is found by multiplying its fraction
+    // of the total volume by the total volume. Not important in eigenvalue
+    // solves, but useful in fixed source solves for returning the flux shape
+    // with a magnitude that makes sense relative to the fixed source strength.
+    double volume = volume_[sr] * simulation_volume_;
+
     double material = material_[sr];
     for (int g = 0; g < negroups_; g++) {
       int idx = sr * negroups_ + g;
-      double flux = scalar_flux_new_[idx] * volume;
+      double flux = scalar_flux_new_[idx];
+
+      // Determine numerical score value
       for (auto& task : tally_task_[idx]) {
         double score;
         switch (task.score_type) {
 
         case SCORE_FLUX:
-          score = flux;
+          score = flux * volume;
           break;
 
         case SCORE_TOTAL:
-          score = flux * data::mg.macro_xs_[material].get_xs(
-                           MgxsType::TOTAL, g, NULL, NULL, NULL, t, a);
+          score = flux * volume *
+                  data::mg.macro_xs_[material].get_xs(
+                    MgxsType::TOTAL, g, NULL, NULL, NULL, t, a);
           break;
 
         case SCORE_FISSION:
-          score = flux * data::mg.macro_xs_[material].get_xs(
-                           MgxsType::FISSION, g, NULL, NULL, NULL, t, a);
+          score = flux * volume *
+                  data::mg.macro_xs_[material].get_xs(
+                    MgxsType::FISSION, g, NULL, NULL, NULL, t, a);
           break;
 
         case SCORE_NU_FISSION:
-          score = flux * data::mg.macro_xs_[material].get_xs(
-                           MgxsType::NU_FISSION, g, NULL, NULL, NULL, t, a);
+          score = flux * volume *
+                  data::mg.macro_xs_[material].get_xs(
+                    MgxsType::NU_FISSION, g, NULL, NULL, NULL, t, a);
           break;
 
         case SCORE_EVENTS:
@@ -435,13 +519,49 @@ void FlatSourceDomain::random_ray_tally() const
                       "random ray mode.");
           break;
         }
+
+        // Apply score to the appropriate tally bin
         Tally& tally {*model::tallies[task.tally_idx]};
 #pragma omp atomic
         tally.results_(task.filter_idx, task.score_idx, TallyResult::VALUE) +=
           score;
+      } // end tally task loop
+    }   // end energy group loop
+
+    // For flux tallies, the total volume of the spatial region is needed
+    // for normalizing the flux. We store this volume in a separate tensor.
+    // We only contribute to each volume tally bin once per FSR.
+    for (const auto& task : volume_task_[sr]) {
+      if (task.score_type == SCORE_FLUX) {
+#pragma omp atomic
+        tally_volumes_[task.tally_idx](task.filter_idx, task.score_idx) +=
+          volume;
+      }
+    }
+  } // end FSR loop
+
+  // Normalize any flux scores by the total volume of the FSRs scoring to that
+  // bin. To do this, we loop over all tallies, and then all filter bins,
+  // and then scores. For each score, we check the tally data structure to
+  // see what index that score corresponds to. If that score is a flux score,
+  // then we divide it by volume.
+  for (int i = 0; i < model::tallies.size(); i++) {
+    Tally& tally {*model::tallies[i]};
+#pragma omp parallel for
+    for (int bin = 0; bin < tally.n_filter_bins(); bin++) {
+      for (int score_idx = 0; score_idx < tally.n_scores(); score_idx++) {
+        auto score_type = tally.scores_[score_idx];
+        if (score_type == SCORE_FLUX) {
+          double vol = tally_volumes_[i](bin, score_idx);
+          if (vol > 0.0) {
+            tally.results_(bin, score_idx, TallyResult::VALUE) /= vol;
+          }
+        }
       }
     }
   }
+
+  openmc::simulation::time_tallies.stop();
 }
 
 void FlatSourceDomain::all_reduce_replicated_source_regions()
@@ -683,4 +803,130 @@ void FlatSourceDomain::output_to_vtk() const
   }
 }
 
+void FlatSourceDomain::apply_external_source_to_source_region(
+  Discrete* discrete, double strength_factor, int64_t source_region)
+{
+  const auto& discrete_energies = discrete->x();
+  const auto& discrete_probs = discrete->prob();
+
+  for (int e = 0; e < discrete_energies.size(); e++) {
+    int g = data::mg.get_group_index(discrete_energies[e]);
+    external_source_[source_region * negroups_ + g] +=
+      discrete_probs[e] * strength_factor;
+  }
+}
+
+void FlatSourceDomain::apply_external_source_to_cell_instances(int32_t i_cell,
+  Discrete* discrete, double strength_factor, int target_material_id,
+  const vector<int32_t>& instances)
+{
+  Cell& cell = *model::cells[i_cell];
+
+  if (cell.type_ != Fill::MATERIAL)
+    return;
+
+  for (int j : instances) {
+    int cell_material_idx = cell.material(j);
+    int cell_material_id = model::materials[cell_material_idx]->id();
+    if (target_material_id == C_NONE ||
+        cell_material_id == target_material_id) {
+      int64_t source_region = source_region_offsets_[i_cell] + j;
+      apply_external_source_to_source_region(
+        discrete, strength_factor, source_region);
+    }
+  }
+}
+
+void FlatSourceDomain::apply_external_source_to_cell_and_children(
+  int32_t i_cell, Discrete* discrete, double strength_factor,
+  int32_t target_material_id)
+{
+  Cell& cell = *model::cells[i_cell];
+
+  if (cell.type_ == Fill::MATERIAL) {
+    vector<int> instances(cell.n_instances_);
+    std::iota(instances.begin(), instances.end(), 0);
+    apply_external_source_to_cell_instances(
+      i_cell, discrete, strength_factor, target_material_id, instances);
+  } else if (target_material_id == C_NONE) {
+    std::unordered_map<int32_t, vector<int32_t>> cell_instance_list =
+      cell.get_contained_cells(0, nullptr);
+    for (const auto& pair : cell_instance_list) {
+      int32_t i_child_cell = pair.first;
+      apply_external_source_to_cell_instances(i_child_cell, discrete,
+        strength_factor, target_material_id, pair.second);
+    }
+  }
+}
+
+void FlatSourceDomain::count_external_source_regions()
+{
+#pragma omp parallel for reduction(+ : n_external_source_regions_)
+  for (int sr = 0; sr < n_source_regions_; sr++) {
+    float total = 0.f;
+    for (int e = 0; e < negroups_; e++) {
+      int64_t se = sr * negroups_ + e;
+      total += external_source_[se];
+    }
+    if (total != 0.f) {
+      n_external_source_regions_++;
+    }
+  }
+}
+
+void FlatSourceDomain::convert_external_sources()
+{
+  // Loop over external sources
+  for (int es = 0; es < model::external_sources.size(); es++) {
+    Source* s = model::external_sources[es].get();
+    IndependentSource* is = dynamic_cast<IndependentSource*>(s);
+    Discrete* energy = dynamic_cast<Discrete*>(is->energy());
+    const std::unordered_set<int32_t>& domain_ids = is->domain_ids();
+
+    double strength_factor = is->strength();
+
+    if (is->domain_type() == Source::DomainType::MATERIAL) {
+      for (int32_t material_id : domain_ids) {
+        for (int i_cell = 0; i_cell < model::cells.size(); i_cell++) {
+          apply_external_source_to_cell_and_children(
+            i_cell, energy, strength_factor, material_id);
+        }
+      }
+    } else if (is->domain_type() == Source::DomainType::CELL) {
+      for (int32_t cell_id : domain_ids) {
+        int32_t i_cell = model::cell_map[cell_id];
+        apply_external_source_to_cell_and_children(
+          i_cell, energy, strength_factor, C_NONE);
+      }
+    } else if (is->domain_type() == Source::DomainType::UNIVERSE) {
+      for (int32_t universe_id : domain_ids) {
+        int32_t i_universe = model::universe_map[universe_id];
+        Universe& universe = *model::universes[i_universe];
+        for (int32_t i_cell : universe.cells_) {
+          apply_external_source_to_cell_and_children(
+            i_cell, energy, strength_factor, C_NONE);
+        }
+      }
+    }
+  } // End loop over external sources
+
+  // Temperature and angle indices, if using multiple temperature
+  // data sets and/or anisotropic data sets.
+  // TODO: Currently assumes we are only using single temp/single angle data.
+  const int t = 0;
+  const int a = 0;
+
+// Divide the fixed source term by sigma t (to save time when applying each
+// iteration)
+#pragma omp parallel for
+  for (int sr = 0; sr < n_source_regions_; sr++) {
+    int material = material_[sr];
+    for (int e = 0; e < negroups_; e++) {
+      float sigma_t = data::mg.macro_xs_[material].get_xs(
+        MgxsType::TOTAL, e, nullptr, nullptr, nullptr, t, a);
+      external_source_[sr * negroups_ + e] /= sigma_t;
+    }
+  }
+}
+
 } // namespace openmc
diff --git a/src/random_ray/random_ray_simulation.cpp b/src/random_ray/random_ray_simulation.cpp
index b9fd93a48..17866c302 100644
--- a/src/random_ray/random_ray_simulation.cpp
+++ b/src/random_ray/random_ray_simulation.cpp
@@ -111,13 +111,6 @@ void validate_random_ray_inputs()
     }
   }
 
-  // Validate solver mode
-  ///////////////////////////////////////////////////////////////////
-  if (settings::run_mode == RunMode::FIXED_SOURCE) {
-    fatal_error(
-      "Invalid run mode. Fixed source not yet supported in random ray mode.");
-  }
-
   // Validate ray source
   ///////////////////////////////////////////////////////////////////
 
@@ -125,8 +118,8 @@ void validate_random_ray_inputs()
   IndependentSource* is =
     dynamic_cast<IndependentSource*>(RandomRay::ray_source_.get());
   if (!is) {
-    fatal_error(
-      "Invalid ray source definition. Ray source must be IndependentSource.");
+    fatal_error("Invalid ray source definition. Ray source must provided and "
+                "be of type IndependentSource.");
   }
 
   // Check for box source
@@ -134,24 +127,68 @@ void validate_random_ray_inputs()
   SpatialBox* sb = dynamic_cast<SpatialBox*>(space_dist);
   if (!sb) {
     fatal_error(
-      "Invalid source definition -- only box sources are allowed in random "
-      "ray "
-      "mode. If no source is specified, OpenMC default is an isotropic point "
-      "source at the origin, which is invalid in random ray mode.");
+      "Invalid ray source definition -- only box sources are allowed.");
   }
 
   // Check that box source is not restricted to fissionable areas
   if (sb->only_fissionable()) {
-    fatal_error("Invalid source definition -- fissionable spatial distribution "
-                "not allowed for random ray source.");
+    fatal_error(
+      "Invalid ray source definition -- fissionable spatial distribution "
+      "not allowed.");
   }
 
   // Check for isotropic source
   UnitSphereDistribution* angle_dist = is->angle();
   Isotropic* id = dynamic_cast<Isotropic*>(angle_dist);
   if (!id) {
-    fatal_error("Invalid source definition -- only isotropic sources are "
-                "allowed for random ray source.");
+    fatal_error("Invalid ray source definition -- only isotropic sources are "
+                "allowed.");
+  }
+
+  // Validate external sources
+  ///////////////////////////////////////////////////////////////////
+  if (settings::run_mode == RunMode::FIXED_SOURCE) {
+    if (model::external_sources.size() < 1) {
+      fatal_error("Must provide a particle source (in addition to ray source) "
+                  "in fixed source random ray mode.");
+    }
+
+    for (int i = 0; i < model::external_sources.size(); i++) {
+      Source* s = model::external_sources[i].get();
+
+      // Check for independent source
+      IndependentSource* is = dynamic_cast<IndependentSource*>(s);
+
+      if (!is) {
+        fatal_error(
+          "Only IndependentSource external source types are allowed in "
+          "random ray mode");
+      }
+
+      // Check for isotropic source
+      UnitSphereDistribution* angle_dist = is->angle();
+      Isotropic* id = dynamic_cast<Isotropic*>(angle_dist);
+      if (!id) {
+        fatal_error(
+          "Invalid source definition -- only isotropic external sources are "
+          "allowed in random ray mode.");
+      }
+
+      // Validate that a domain ID was specified
+      if (is->domain_ids().size() == 0) {
+        fatal_error("Fixed sources must be specified by domain "
+                    "id (cell, material, or universe) in random ray mode.");
+      }
+
+      // Check that a discrete energy distribution was used
+      Distribution* d = is->energy();
+      Discrete* dd = dynamic_cast<Discrete*>(d);
+      if (!dd) {
+        fatal_error(
+          "Only discrete (multigroup) energy distributions are allowed for "
+          "external sources in random ray mode.");
+      }
+    }
   }
 
   // Validate plotting files
@@ -208,6 +245,12 @@ RandomRaySimulation::RandomRaySimulation()
 
 void RandomRaySimulation::simulate()
 {
+  if (settings::run_mode == RunMode::FIXED_SOURCE) {
+    // Transfer external source user inputs onto random ray source regions
+    domain_.convert_external_sources();
+    domain_.count_external_source_regions();
+  }
+
   // Random ray power iteration loop
   while (simulation::current_batch < settings::n_batches) {
 
@@ -249,11 +292,13 @@ void RandomRaySimulation::simulate()
     // Add source to scalar flux, compute number of FSR hits
     int64_t n_hits = domain_.add_source_to_scalar_flux();
 
-    // Compute random ray k-eff
-    k_eff_ = domain_.compute_k_eff(k_eff_);
+    if (settings::run_mode == RunMode::EIGENVALUE) {
+      // Compute random ray k-eff
+      k_eff_ = domain_.compute_k_eff(k_eff_);
 
-    // Store random ray k-eff into OpenMC's native k-eff variable
-    global_tally_tracklength = k_eff_;
+      // Store random ray k-eff into OpenMC's native k-eff variable
+      global_tally_tracklength = k_eff_;
+    }
 
     // Execute all tallying tasks, if this is an active batch
     if (simulation::current_batch > settings::n_inactive && mpi::master) {
@@ -302,7 +347,7 @@ void RandomRaySimulation::output_simulation_results() const
   if (mpi::master) {
     print_results_random_ray(total_geometric_intersections_,
       avg_miss_rate_ / settings::n_batches, negroups_,
-      domain_.n_source_regions_);
+      domain_.n_source_regions_, domain_.n_external_source_regions_);
     if (model::plots.size() > 0) {
       domain_.output_to_vtk();
     }
@@ -339,7 +384,7 @@ void RandomRaySimulation::instability_check(
 // Print random ray simulation results
 void RandomRaySimulation::print_results_random_ray(
   uint64_t total_geometric_intersections, double avg_miss_rate, int negroups,
-  int64_t n_source_regions) const
+  int64_t n_source_regions, int64_t n_external_source_regions) const
 {
   using namespace simulation;
 
@@ -355,6 +400,8 @@ void RandomRaySimulation::print_results_random_ray(
     fmt::print(
       " Total Iterations                  = {}\n", settings::n_batches);
     fmt::print(" Flat Source Regions (FSRs)        = {}\n", n_source_regions);
+    fmt::print(
+      " FSRs Containing External Sources  = {}\n", n_external_source_regions);
     fmt::print(" Total Geometric Intersections     = {:.4e}\n",
       static_cast<double>(total_geometric_intersections));
     fmt::print("   Avg per Iteration               = {:.4e}\n",
@@ -387,7 +434,7 @@ void RandomRaySimulation::print_results_random_ray(
     show_time("Time per integration", time_per_integration);
   }
 
-  if (settings::verbosity >= 4) {
+  if (settings::verbosity >= 4 && settings::run_mode == RunMode::EIGENVALUE) {
     header("Results", 4);
     fmt::print(" k-effective                       = {:.5f} +/- {:.5f}\n",
       simulation::keff, simulation::keff_std);
diff --git a/src/settings.cpp b/src/settings.cpp
index 6790f2cc0..136020d4a 100644
--- a/src/settings.cpp
+++ b/src/settings.cpp
@@ -191,7 +191,8 @@ void get_run_parameters(pugi::xml_node node_base)
   }
 
   // Get number of inactive batches
-  if (run_mode == RunMode::EIGENVALUE) {
+  if (run_mode == RunMode::EIGENVALUE ||
+      solver_type == SolverType::RANDOM_RAY) {
     if (check_for_node(node_base, "inactive")) {
       n_inactive = std::stoi(get_node_value(node_base, "inactive"));
     }
@@ -524,8 +525,9 @@ void read_settings_xml(pugi::xml_node root)
   }
 
   // If no source specified, default to isotropic point source at origin with
-  // Watt spectrum
-  if (model::external_sources.empty()) {
+  // Watt spectrum. No default source is needed in random ray mode.
+  if (model::external_sources.empty() &&
+      settings::solver_type != SolverType::RANDOM_RAY) {
     double T[] {0.0};
     double p[] {1.0};
     model::external_sources.push_back(make_unique<IndependentSource>(
diff --git a/src/simulation.cpp b/src/simulation.cpp
index 527d98db4..e218cdb29 100644
--- a/src/simulation.cpp
+++ b/src/simulation.cpp
@@ -137,7 +137,11 @@ int openmc_simulation_init()
   // Display header
   if (mpi::master) {
     if (settings::run_mode == RunMode::FIXED_SOURCE) {
-      header("FIXED SOURCE TRANSPORT SIMULATION", 3);
+      if (settings::solver_type == SolverType::MONTE_CARLO) {
+        header("FIXED SOURCE TRANSPORT SIMULATION", 3);
+      } else if (settings::solver_type == SolverType::RANDOM_RAY) {
+        header("FIXED SOURCE TRANSPORT SIMULATION (RANDOM RAY SOLVER)", 3);
+      }
     } else if (settings::run_mode == RunMode::EIGENVALUE) {
       if (settings::solver_type == SolverType::MONTE_CARLO) {
         header("K EIGENVALUE SIMULATION", 3);
@@ -343,7 +347,13 @@ void initialize_batch()
   ++simulation::current_batch;
 
   if (settings::run_mode == RunMode::FIXED_SOURCE) {
-    write_message(6, "Simulating batch {}", simulation::current_batch);
+    if (settings::solver_type == SolverType::RANDOM_RAY &&
+        simulation::current_batch < settings::n_inactive + 1) {
+      write_message(
+        6, "Simulating batch {:<4} (inactive)", simulation::current_batch);
+    } else {
+      write_message(6, "Simulating batch {}", simulation::current_batch);
+    }
   }
 
   // Reset total starting particle weight used for normalizing tallies
diff --git a/tests/regression_tests/random_ray_basic/results_true.dat b/tests/regression_tests/random_ray_basic/results_true.dat
index 802e78a82..ee2e4000d 100644
--- a/tests/regression_tests/random_ray_basic/results_true.dat
+++ b/tests/regression_tests/random_ray_basic/results_true.dat
@@ -1,171 +1,171 @@
 k-combined:
-8.400322E-01 8.023349E-03
+8.400322E-01 8.023350E-03
 tally 1:
-1.260220E+00
-3.179889E-01
-1.484289E-01
-4.411066E-03
-3.612463E-01
-2.612843E-02
-7.086707E-01
-1.006119E-01
-3.342483E-02
-2.238499E-04
-8.134936E-02
-1.325949E-03
-4.194328E-01
-3.558669E-02
-4.287776E-03
-3.717447E-06
-1.043559E-02
-2.201986E-05
-5.878720E-01
-7.045887E-02
-6.147757E-03
-7.701173E-06
-1.496241E-02
-4.561699E-05
-1.768113E+00
-6.356917E-01
-6.513486E-03
-8.628535E-06
-1.585272E-02
-5.111136E-05
-5.063704E+00
-5.152401E+00
-2.440293E-03
-1.196869E-06
-6.038334E-03
-7.328193E-06
-3.253717E+00
-2.117655E+00
-1.389120E-02
-3.859385E-05
-3.863767E-02
-2.985798E-04
-1.876994E+00
-7.046366E-01
+5.086560E+00
+5.180937E+00
+1.885166E+00
+7.115505E-01
+4.588117E+00
+4.214785E+00
+2.860401E+00
+1.639329E+00
+4.245221E-01
+3.610930E-02
+1.033202E+00
+2.138892E-01
+1.692631E+00
+5.793967E-01
+5.445818E-02
+5.996625E-04
+1.325403E-01
+3.552030E-03
+2.372249E+00
+1.146944E+00
+7.808143E-02
+1.242279E-03
+1.900346E-01
+7.358492E-03
+7.134949E+00
+1.034824E+01
+8.272648E-02
+1.391872E-03
+2.013422E-01
+8.244790E-03
+2.043539E+01
+8.389902E+01
+3.099367E-02
+1.930673E-04
+7.669167E-02
+1.182113E-03
+1.313212E+01
+3.449537E+01
+1.764293E-01
+6.225587E-03
+4.907293E-01
+4.816401E-02
+7.567717E+00
+1.145439E+01
 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-8.390875E-01
-1.408791E-01
+3.383194E+00
+2.290469E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-4.513839E-01
-4.139640E-02
+1.819673E+00
+6.726159E-01
 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-6.682186E-01
-9.116003E-02
+2.693683E+00
+1.480961E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-1.849034E+00
-6.944337E-01
+7.453759E+00
+1.128171E+01
 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-4.523425E+00
-4.112118E+00
+1.823561E+01
+6.681652E+01
 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-2.821432E+00
-1.592568E+00
+1.137517E+01
+2.588512E+01
 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-1.159618E+00
-2.694138E-01
-1.354028E-01
-3.672094E-03
-3.295432E-01
-2.175122E-02
-6.880334E-01
-9.491215E-02
-3.234611E-02
-2.097782E-04
-7.872396E-02
-1.242596E-03
-4.184841E-01
-3.536436E-02
-4.274305E-03
-3.687209E-06
-1.040280E-02
-2.184074E-05
-5.810180E-01
-6.872944E-02
-6.060273E-03
-7.476500E-06
-1.474949E-02
-4.428617E-05
-1.782580E+00
-6.457892E-01
-6.552384E-03
-8.730345E-06
-1.594739E-02
-5.171444E-05
-5.278155E+00
-5.596601E+00
-2.546878E-03
-1.303010E-06
-6.302072E-03
-7.978072E-06
-3.420419E+00
-2.340454E+00
-1.465798E-02
-4.299061E-05
-4.077042E-02
-3.325951E-04
-1.279417E+00
-3.278133E-01
-1.509073E-01
-4.561836E-03
-3.672782E-01
-2.702150E-02
-7.212777E-01
-1.042487E-01
-3.411552E-02
-2.332877E-04
-8.303035E-02
-1.381852E-03
-4.269473E-01
-3.685202E-02
-4.378540E-03
-3.872997E-06
-1.065649E-02
-2.294124E-05
-5.973530E-01
-7.266946E-02
-6.260881E-03
-7.976490E-06
-1.523773E-02
-4.724780E-05
-1.795373E+00
-6.547440E-01
-6.635941E-03
-8.945067E-06
-1.615075E-02
-5.298634E-05
-5.161876E+00
-5.353441E+00
-2.505311E-03
-1.261399E-06
-6.199218E-03
-7.723296E-06
-3.344042E+00
-2.236603E+00
-1.443089E-02
-4.166228E-05
-4.013879E-02
-3.223186E-04
+4.601917E+00
+4.242626E+00
+1.719723E+00
+5.923467E-01
+4.185463E+00
+3.508696E+00
+2.730305E+00
+1.494324E+00
+4.108214E-01
+3.383938E-02
+9.998572E-01
+2.004436E-01
+1.660852E+00
+5.570433E-01
+5.428709E-02
+5.947848E-04
+1.321239E-01
+3.523137E-03
+2.306069E+00
+1.082856E+00
+7.697032E-02
+1.206037E-03
+1.873304E-01
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+7.075194E+00
+1.017519E+01
+8.322052E-02
+1.408295E-03
+2.025446E-01
+8.342072E-03
+2.094832E+01
+8.816716E+01
+3.234739E-02
+2.101889E-04
+8.004135E-02
+1.286945E-03
+1.357413E+01
+3.685984E+01
+1.861680E-01
+6.934828E-03
+5.178169E-01
+5.365103E-02
+5.072150E+00
+5.151431E+00
+1.916644E+00
+7.358713E-01
+4.664727E+00
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+2.859465E+00
+1.638250E+00
+4.332944E-01
+3.763171E-02
+1.054552E+00
+2.229070E-01
+1.693008E+00
+5.796672E-01
+5.561096E-02
+6.247543E-04
+1.353459E-01
+3.700658E-03
+2.368860E+00
+1.143296E+00
+7.951820E-02
+1.286690E-03
+1.935314E-01
+7.621558E-03
+7.119587E+00
+1.030023E+01
+8.428176E-02
+1.442932E-03
+2.051275E-01
+8.547244E-03
+2.046758E+01
+8.418768E+01
+3.181946E-02
+2.034766E-04
+7.873502E-02
+1.245847E-03
+1.325834E+01
+3.515919E+01
+1.832838E-01
+6.720556E-03
+5.097947E-01
+5.199331E-02
diff --git a/tests/regression_tests/random_ray_fixed_source/__init__.py b/tests/regression_tests/random_ray_fixed_source/__init__.py
new file mode 100644
index 000000000..e69de29bb
diff --git a/tests/regression_tests/random_ray_fixed_source/cell/inputs_true.dat b/tests/regression_tests/random_ray_fixed_source/cell/inputs_true.dat
new file mode 100644
index 000000000..99e67745a
--- /dev/null
+++ b/tests/regression_tests/random_ray_fixed_source/cell/inputs_true.dat
@@ -0,0 +1,204 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <cross_sections>mgxs.h5</cross_sections>
+    <material id="1" name="source">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="source"/>
+    </material>
+    <material id="2" name="void">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="void"/>
+    </material>
+    <material id="3" name="shield">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="shield"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" name="infinite source region" universe="1"/>
+    <cell id="2" material="2" name="infinite void region" universe="2"/>
+    <cell id="3" material="3" name="infinite shield region" universe="3"/>
+    <cell fill="4" id="4" name="source lattice cell" universe="7"/>
+    <cell fill="5" id="5" name="void lattice cell" universe="8"/>
+    <cell fill="6" id="6" name="shield lattice cell" universe="9"/>
+    <cell fill="10" id="7" name="dogleg lattice cell" universe="11"/>
+    <cell fill="11" id="8" name="full domain" region="1 -2 3 -4 5 -6" universe="12"/>
+    <lattice id="4">
+      <pitch>5.0 5.0 5.0</pitch>
+      <dimension>2 2 2</dimension>
+      <lower_left>-5.0 -5.0 -5.0</lower_left>
+      <universes>
+1 1 
+1 1 
+
+1 1 
+1 1 </universes>
+    </lattice>
+    <lattice id="5">
+      <pitch>5.0 5.0 5.0</pitch>
+      <dimension>2 2 2</dimension>
+      <lower_left>-5.0 -5.0 -5.0</lower_left>
+      <universes>
+2 2 
+2 2 
+
+2 2 
+2 2 </universes>
+    </lattice>
+    <lattice id="6">
+      <pitch>5.0 5.0 5.0</pitch>
+      <dimension>2 2 2</dimension>
+      <lower_left>-5.0 -5.0 -5.0</lower_left>
+      <universes>
+3 3 
+3 3 
+
+3 3 
+3 3 </universes>
+    </lattice>
+    <lattice id="10">
+      <pitch>10.0 10.0 10.0</pitch>
+      <dimension>6 10 6</dimension>
+      <lower_left>0.0 0.0 0.0</lower_left>
+      <universes>
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+8 8 8 8 9 9 
+8 9 9 9 9 9 
+8 9 9 9 9 9 
+8 9 9 9 9 9 
+8 9 9 9 9 9 
+7 9 9 9 9 9 
+
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 8 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 8 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+
+9 9 9 8 9 9 
+9 9 9 8 9 9 
+9 9 9 8 9 9 
+9 9 9 8 9 9 
+9 9 9 8 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 </universes>
+    </lattice>
+    <surface boundary="reflective" coeffs="0.0" id="1" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="60.0" id="2" type="x-plane"/>
+    <surface boundary="reflective" coeffs="0.0" id="3" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="100.0" id="4" type="y-plane"/>
+    <surface boundary="reflective" coeffs="0.0" id="5" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="60.0" id="6" type="z-plane"/>
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>1000</particles>
+    <batches>10</batches>
+    <inactive>5</inactive>
+    <source particle="neutron" strength="1.0" type="independent">
+      <energy type="discrete">
+        <parameters>100.0 1.0</parameters>
+      </energy>
+      <constraints>
+        <domain_type>cell</domain_type>
+        <domain_ids>4</domain_ids>
+      </constraints>
+    </source>
+    <energy_mode>multi-group</energy_mode>
+    <random_ray>
+      <distance_active>400.0</distance_active>
+      <distance_inactive>100.0</distance_inactive>
+      <source particle="neutron" strength="1.0" type="independent">
+        <space type="box">
+          <parameters>0.0 0.0 0.0 60.0 100.0 60.0</parameters>
+        </space>
+      </source>
+    </random_ray>
+  </settings>
+  <tallies>
+    <mesh id="1">
+      <dimension>1 10 1</dimension>
+      <lower_left>0.0 0.0 0.0</lower_left>
+      <upper_right>10.0 100.0 10.0</upper_right>
+    </mesh>
+    <mesh id="2">
+      <dimension>6 1 1</dimension>
+      <lower_left>0.0 50.0 0.0</lower_left>
+      <upper_right>60.0 60.0 10.0</upper_right>
+    </mesh>
+    <mesh id="3">
+      <dimension>6 1 1</dimension>
+      <lower_left>0.0 90.0 30.0</lower_left>
+      <upper_right>60.0 100.0 40.0</upper_right>
+    </mesh>
+    <filter id="1" type="mesh">
+      <bins>1</bins>
+    </filter>
+    <filter id="2" type="mesh">
+      <bins>2</bins>
+    </filter>
+    <filter id="3" type="mesh">
+      <bins>3</bins>
+    </filter>
+    <tally id="1" name="Case 3A">
+      <filters>1</filters>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="2" name="Case 3B">
+      <filters>2</filters>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="3" name="Case 3C">
+      <filters>3</filters>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/random_ray_fixed_source/cell/results_true.dat b/tests/regression_tests/random_ray_fixed_source/cell/results_true.dat
new file mode 100644
index 000000000..df923ab23
--- /dev/null
+++ b/tests/regression_tests/random_ray_fixed_source/cell/results_true.dat
@@ -0,0 +1,47 @@
+tally 1:
+3.751048E+01
+2.841797E+02
+9.930788E+00
+1.988180E+01
+3.781121E+00
+3.005165E+00
+2.383139E+00
+1.232560E+00
+1.561884E+00
+6.440577E-01
+1.089787E+00
+3.724896E-01
+6.608456E-01
+1.285592E-01
+2.372611E-01
+1.601299E-02
+7.814803E-02
+1.765829E-03
+2.862108E-02
+2.460129E-04
+tally 2:
+1.089787E+00
+3.724896E-01
+3.767926E-01
+3.724399E-02
+8.614121E-02
+1.526889E-03
+3.610725E-02
+2.629885E-04
+1.466261E-02
+4.536997E-05
+4.653106E-03
+4.381672E-06
+tally 3:
+1.617918E-03
+6.317049E-07
+1.161473E-03
+2.789553E-07
+1.198879E-03
+3.189531E-07
+1.031737E-03
+2.207381E-07
+5.466329E-04
+6.166808E-08
+2.146062E-04
+9.937520E-09
diff --git a/tests/regression_tests/random_ray_fixed_source/material/inputs_true.dat b/tests/regression_tests/random_ray_fixed_source/material/inputs_true.dat
new file mode 100644
index 000000000..7fde0c419
--- /dev/null
+++ b/tests/regression_tests/random_ray_fixed_source/material/inputs_true.dat
@@ -0,0 +1,204 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <cross_sections>mgxs.h5</cross_sections>
+    <material id="1" name="source">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="source"/>
+    </material>
+    <material id="2" name="void">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="void"/>
+    </material>
+    <material id="3" name="shield">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="shield"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" name="infinite source region" universe="1"/>
+    <cell id="2" material="2" name="infinite void region" universe="2"/>
+    <cell id="3" material="3" name="infinite shield region" universe="3"/>
+    <cell fill="4" id="4" name="source lattice cell" universe="7"/>
+    <cell fill="5" id="5" name="void lattice cell" universe="8"/>
+    <cell fill="6" id="6" name="shield lattice cell" universe="9"/>
+    <cell fill="10" id="7" name="dogleg lattice cell" universe="11"/>
+    <cell fill="11" id="8" name="full domain" region="1 -2 3 -4 5 -6" universe="12"/>
+    <lattice id="4">
+      <pitch>5.0 5.0 5.0</pitch>
+      <dimension>2 2 2</dimension>
+      <lower_left>-5.0 -5.0 -5.0</lower_left>
+      <universes>
+1 1 
+1 1 
+
+1 1 
+1 1 </universes>
+    </lattice>
+    <lattice id="5">
+      <pitch>5.0 5.0 5.0</pitch>
+      <dimension>2 2 2</dimension>
+      <lower_left>-5.0 -5.0 -5.0</lower_left>
+      <universes>
+2 2 
+2 2 
+
+2 2 
+2 2 </universes>
+    </lattice>
+    <lattice id="6">
+      <pitch>5.0 5.0 5.0</pitch>
+      <dimension>2 2 2</dimension>
+      <lower_left>-5.0 -5.0 -5.0</lower_left>
+      <universes>
+3 3 
+3 3 
+
+3 3 
+3 3 </universes>
+    </lattice>
+    <lattice id="10">
+      <pitch>10.0 10.0 10.0</pitch>
+      <dimension>6 10 6</dimension>
+      <lower_left>0.0 0.0 0.0</lower_left>
+      <universes>
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+8 8 8 8 9 9 
+8 9 9 9 9 9 
+8 9 9 9 9 9 
+8 9 9 9 9 9 
+8 9 9 9 9 9 
+7 9 9 9 9 9 
+
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 8 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 8 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+
+9 9 9 8 9 9 
+9 9 9 8 9 9 
+9 9 9 8 9 9 
+9 9 9 8 9 9 
+9 9 9 8 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 </universes>
+    </lattice>
+    <surface boundary="reflective" coeffs="0.0" id="1" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="60.0" id="2" type="x-plane"/>
+    <surface boundary="reflective" coeffs="0.0" id="3" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="100.0" id="4" type="y-plane"/>
+    <surface boundary="reflective" coeffs="0.0" id="5" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="60.0" id="6" type="z-plane"/>
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>1000</particles>
+    <batches>10</batches>
+    <inactive>5</inactive>
+    <source particle="neutron" strength="1.0" type="independent">
+      <energy type="discrete">
+        <parameters>100.0 1.0</parameters>
+      </energy>
+      <constraints>
+        <domain_type>material</domain_type>
+        <domain_ids>1</domain_ids>
+      </constraints>
+    </source>
+    <energy_mode>multi-group</energy_mode>
+    <random_ray>
+      <distance_active>400.0</distance_active>
+      <distance_inactive>100.0</distance_inactive>
+      <source particle="neutron" strength="1.0" type="independent">
+        <space type="box">
+          <parameters>0.0 0.0 0.0 60.0 100.0 60.0</parameters>
+        </space>
+      </source>
+    </random_ray>
+  </settings>
+  <tallies>
+    <mesh id="1">
+      <dimension>1 10 1</dimension>
+      <lower_left>0.0 0.0 0.0</lower_left>
+      <upper_right>10.0 100.0 10.0</upper_right>
+    </mesh>
+    <mesh id="2">
+      <dimension>6 1 1</dimension>
+      <lower_left>0.0 50.0 0.0</lower_left>
+      <upper_right>60.0 60.0 10.0</upper_right>
+    </mesh>
+    <mesh id="3">
+      <dimension>6 1 1</dimension>
+      <lower_left>0.0 90.0 30.0</lower_left>
+      <upper_right>60.0 100.0 40.0</upper_right>
+    </mesh>
+    <filter id="1" type="mesh">
+      <bins>1</bins>
+    </filter>
+    <filter id="2" type="mesh">
+      <bins>2</bins>
+    </filter>
+    <filter id="3" type="mesh">
+      <bins>3</bins>
+    </filter>
+    <tally id="1" name="Case 3A">
+      <filters>1</filters>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="2" name="Case 3B">
+      <filters>2</filters>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="3" name="Case 3C">
+      <filters>3</filters>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/random_ray_fixed_source/material/results_true.dat b/tests/regression_tests/random_ray_fixed_source/material/results_true.dat
new file mode 100644
index 000000000..e3d528909
--- /dev/null
+++ b/tests/regression_tests/random_ray_fixed_source/material/results_true.dat
@@ -0,0 +1,47 @@
+tally 1:
+3.751047E+01
+2.841797E+02
+9.930788E+00
+1.988181E+01
+3.781121E+00
+3.005165E+00
+2.383139E+00
+1.232560E+00
+1.561884E+00
+6.440577E-01
+1.089787E+00
+3.724896E-01
+6.608456E-01
+1.285592E-01
+2.372611E-01
+1.601299E-02
+7.814803E-02
+1.765829E-03
+2.862108E-02
+2.460129E-04
+tally 2:
+1.089787E+00
+3.724896E-01
+3.767925E-01
+3.724398E-02
+8.614120E-02
+1.526889E-03
+3.610725E-02
+2.629885E-04
+1.466261E-02
+4.536997E-05
+4.653106E-03
+4.381672E-06
+tally 3:
+1.617918E-03
+6.317049E-07
+1.161473E-03
+2.789553E-07
+1.198879E-03
+3.189531E-07
+1.031737E-03
+2.207381E-07
+5.466329E-04
+6.166809E-08
+2.146062E-04
+9.937520E-09
diff --git a/tests/regression_tests/random_ray_fixed_source/test.py b/tests/regression_tests/random_ray_fixed_source/test.py
new file mode 100644
index 000000000..41a6c35bb
--- /dev/null
+++ b/tests/regression_tests/random_ray_fixed_source/test.py
@@ -0,0 +1,339 @@
+import os
+
+import numpy as np
+import openmc
+from openmc.utility_funcs import change_directory
+import pytest
+
+from tests.testing_harness import TolerantPyAPITestHarness
+
+def fill_3d_list(n, val):
+    """
+    Generates a 3D list of dimensions nxnxn filled with copies of val.
+
+    Parameters:
+    n (int): The dimension of the 3D list.
+    val (any): The value to fill the 3D list with.
+
+    Returns:
+    list: A 3D list of dimensions nxnxn filled with val.
+    """
+    return [[[val for _ in range(n)] for _ in range(n)] for _ in range(n)]
+
+
+class MGXSTestHarness(TolerantPyAPITestHarness):
+    def _cleanup(self):
+        super()._cleanup()
+        f = 'mgxs.h5'
+        if os.path.exists(f):
+            os.remove(f)
+
+def create_random_ray_model(domain_type):
+    openmc.reset_auto_ids()
+    ###############################################################################
+    # Create multigroup data
+
+    # Instantiate the energy group data
+    ebins = [1e-5, 20.0e6]
+    groups = openmc.mgxs.EnergyGroups(group_edges=ebins)
+
+    # High scattering ratio means system is all scattering
+    # Low means fully absorbing
+    scattering_ratio = 0.5
+
+    source_total_xs = 0.1
+    source_mat_data = openmc.XSdata('source', groups)
+    source_mat_data.order = 0
+    source_mat_data.set_total([source_total_xs])
+    source_mat_data.set_absorption([source_total_xs * (1.0 - scattering_ratio)])
+    source_mat_data.set_scatter_matrix(np.rollaxis(np.array([[[source_total_xs * scattering_ratio]]]),0,3))
+
+    void_total_xs = 1.0e-4
+    void_mat_data = openmc.XSdata('void', groups)
+    void_mat_data.order = 0
+    void_mat_data.set_total([void_total_xs])
+    void_mat_data.set_absorption([void_total_xs * (1.0 - scattering_ratio)])
+    void_mat_data.set_scatter_matrix(np.rollaxis(np.array([[[void_total_xs * scattering_ratio]]]),0,3))
+
+    shield_total_xs = 0.1
+    shield_mat_data = openmc.XSdata('shield', groups)
+    shield_mat_data.order = 0
+    shield_mat_data.set_total([shield_total_xs])
+    shield_mat_data.set_absorption([shield_total_xs * (1.0 - scattering_ratio)])
+    shield_mat_data.set_scatter_matrix(np.rollaxis(np.array([[[shield_total_xs * scattering_ratio]]]),0,3))
+
+    mg_cross_sections_file = openmc.MGXSLibrary(groups)
+    mg_cross_sections_file.add_xsdatas([source_mat_data, void_mat_data, shield_mat_data])
+    mg_cross_sections_file.export_to_hdf5()
+
+    ###############################################################################
+    # Create materials for the problem
+
+    # Instantiate some Macroscopic Data
+    source_data = openmc.Macroscopic('source')
+    void_data   = openmc.Macroscopic('void')
+    shield_data = openmc.Macroscopic('shield')
+
+    # Instantiate some Materials and register the appropriate Macroscopic objects
+    source_mat = openmc.Material(name='source')
+    source_mat.set_density('macro', 1.0)
+    source_mat.add_macroscopic(source_data)
+
+    void_mat = openmc.Material(name='void')
+    void_mat.set_density('macro', 1.0)
+    void_mat.add_macroscopic(void_data)
+
+    shield_mat = openmc.Material(name='shield')
+    shield_mat.set_density('macro', 1.0)
+    shield_mat.add_macroscopic(shield_data)
+
+    # Instantiate a Materials collection and export to XML
+    materials_file = openmc.Materials([source_mat, void_mat, shield_mat])
+    materials_file.cross_sections = "mgxs.h5"
+
+    ###############################################################################
+    # Define problem geometry
+
+    source_cell = openmc.Cell(fill=source_mat, name='infinite source region')
+    void_cell = openmc.Cell(fill=void_mat, name='infinite void region')
+    shield_cell = openmc.Cell(fill=shield_mat, name='infinite shield region')
+
+    sub = openmc.Universe()
+    sub.add_cells([source_cell])
+
+    vub = openmc.Universe()
+    vub.add_cells([void_cell])
+
+    aub = openmc.Universe()
+    aub.add_cells([shield_cell])
+
+    # n controls the dimension of subdivision within each outer lattice element
+    # E.g., n = 10 results in 1cm cubic FSRs
+    n = 2
+    delta = 10.0 / n
+    ll = [-5.0, -5.0, -5.0]
+    pitch = [delta, delta, delta]
+
+    source_lattice = openmc.RectLattice()
+    source_lattice.lower_left = ll
+    source_lattice.pitch = pitch
+    source_lattice.universes = fill_3d_list(n, sub)
+
+    void_lattice = openmc.RectLattice()
+    void_lattice.lower_left = ll
+    void_lattice.pitch = pitch
+    void_lattice.universes = fill_3d_list(n, vub)
+
+    shield_lattice = openmc.RectLattice()
+    shield_lattice.lower_left = ll
+    shield_lattice.pitch = pitch
+    shield_lattice.universes = fill_3d_list(n, aub)
+
+    source_lattice_cell = openmc.Cell(fill=source_lattice, name='source lattice cell')
+    su = openmc.Universe()
+    su.add_cells([source_lattice_cell])
+
+    void_lattice_cell = openmc.Cell(fill=void_lattice, name='void lattice cell')
+    vu = openmc.Universe()
+    vu.add_cells([void_lattice_cell])
+
+    shield_lattice_cell = openmc.Cell(fill=shield_lattice, name='shield lattice cell')
+    au = openmc.Universe()
+    au.add_cells([shield_lattice_cell])
+
+    z_base = [
+            [au, au, au, au, au, au],
+            [au, au, au, au, au, au],
+            [au, au, au, au, au, au],
+            [au, au, au, au, au, au],
+            [vu, vu, vu, vu, au, au],
+            [vu, au, au, au, au, au],
+            [vu, au, au, au, au, au],
+            [vu, au, au, au, au, au],
+            [vu, au, au, au, au, au],
+            [su, au, au, au, au, au]
+                         ]
+
+    z_col = [
+            [au, au, au, au, au, au],
+            [au, au, au, au, au, au],
+            [au, au, au, au, au, au],
+            [au, au, au, au, au, au],
+            [au, au, au, vu, au, au],
+            [au, au, au, au, au, au],
+            [au, au, au, au, au, au],
+            [au, au, au, au, au, au],
+            [au, au, au, au, au, au],
+            [au, au, au, au, au, au]
+                         ]
+
+    z_high = [
+            [au, au, au, vu, au, au],
+            [au, au, au, vu, au, au],
+            [au, au, au, vu, au, au],
+            [au, au, au, vu, au, au],
+            [au, au, au, vu, au, au],
+            [au, au, au, au, au, au],
+            [au, au, au, au, au, au],
+            [au, au, au, au, au, au],
+            [au, au, au, au, au, au],
+            [au, au, au, au, au, au]
+                         ]
+
+    z_cap = [
+            [au, au, au, au, au, au],
+            [au, au, au, au, au, au],
+            [au, au, au, au, au, au],
+            [au, au, au, au, au, au],
+            [au, au, au, au, au, au],
+            [au, au, au, au, au, au],
+            [au, au, au, au, au, au],
+            [au, au, au, au, au, au],
+            [au, au, au, au, au, au],
+            [au, au, au, au, au, au]
+                         ]
+
+    dogleg_pattern = [
+            z_base,
+            z_col,
+            z_col,
+            z_high,
+            z_cap,
+            z_cap
+            ]
+
+    x = 60.0
+    x_dim = 6
+
+    y = 100.0
+    y_dim = 10
+
+    z = 60.0
+    z_dim = 6
+
+    lattice = openmc.RectLattice()
+    lattice.lower_left = [0.0, 0.0, 0.0]
+    lattice.pitch = [x/x_dim, y/y_dim, z/z_dim]
+    lattice.universes = dogleg_pattern
+
+    lattice_cell = openmc.Cell(fill=lattice, name='dogleg lattice cell')
+
+    lattice_uni = openmc.Universe()
+    lattice_uni.add_cells([lattice_cell])
+
+    x_low  = openmc.XPlane(x0=0.0,boundary_type='reflective')
+    x_high = openmc.XPlane(x0=x,boundary_type='vacuum')
+
+    y_low  = openmc.YPlane(y0=0.0,boundary_type='reflective')
+    y_high = openmc.YPlane(y0=y,boundary_type='vacuum')
+
+    z_low  = openmc.ZPlane(z0=0.0,boundary_type='reflective')
+    z_high = openmc.ZPlane(z0=z,boundary_type='vacuum')
+
+    full_domain = openmc.Cell(fill=lattice_uni, region=+x_low & -x_high & +y_low & -y_high & +z_low & -z_high, name='full domain')
+
+    root = openmc.Universe(name='root universe')
+    root.add_cell(full_domain)
+
+    # Create a geometry with the two cells and export to XML
+    geometry = openmc.Geometry(root)
+
+    ###############################################################################
+    # Define problem settings
+
+    # Instantiate a Settings object, set all runtime parameters, and export to XML
+    settings = openmc.Settings()
+    settings.energy_mode = "multi-group"
+    settings.batches = 10
+    settings.inactive = 5
+    settings.particles = 1000
+    settings.run_mode = 'fixed source'
+
+    settings.random_ray['distance_active'] = 400.0
+    settings.random_ray['distance_inactive'] = 100.0
+
+    # Create an initial uniform spatial source for ray integration
+    lower_left = (0.0, 0.0, 0.0)
+    upper_right = (x, y, z)
+    uniform_dist = openmc.stats.Box(lower_left, upper_right)
+    settings.random_ray['ray_source']= openmc.IndependentSource(space=uniform_dist)
+
+    # Create the neutron source in the bottom right of the moderator
+    strengths = [1.0]
+    midpoints = [100.0]
+    energy_distribution = openmc.stats.Discrete(x=midpoints,p=strengths)
+    if domain_type == 'cell':
+        domain = source_lattice_cell
+    elif domain_type == 'material':
+        domain = source_mat
+    elif domain_type == 'universe':
+        domain = sub
+    source = openmc.IndependentSource(
+        energy=energy_distribution,
+        constraints={'domains': [domain]}
+    )
+    settings.source = [source]
+
+    ###############################################################################
+    # Define tallies
+
+    estimator = 'analog'
+
+    # Case 3A
+    mesh_3A = openmc.RegularMesh()
+    mesh_3A.dimension = (1, y_dim, 1)
+    mesh_3A.lower_left = (0.0, 0.0, 0.0)
+    mesh_3A.upper_right = (10.0, y, 10.0)
+    mesh_filter_3A = openmc.MeshFilter(mesh_3A)
+
+    tally_3A = openmc.Tally(name="Case 3A")
+    tally_3A.filters = [mesh_filter_3A]
+    tally_3A.scores = ['flux']
+    tally_3A.estimator = estimator
+
+    # Case 3B
+    mesh_3B = openmc.RegularMesh()
+    mesh_3B.dimension = (x_dim, 1, 1)
+    mesh_3B.lower_left = (0.0, 50.0, 0.0)
+    mesh_3B.upper_right = (x, 60.0, 10.0)
+    mesh_filter_3B = openmc.MeshFilter(mesh_3B)
+
+    tally_3B = openmc.Tally(name="Case 3B")
+    tally_3B.filters = [mesh_filter_3B]
+    tally_3B.scores = ['flux']
+    tally_3B.estimator = estimator
+
+    # Case 3C
+    mesh_3C = openmc.RegularMesh()
+    mesh_3C.dimension = (x_dim, 1, 1)
+    mesh_3C.lower_left = (0.0, 90.0, 30.0)
+    mesh_3C.upper_right = (x, 100.0, 40.0)
+    mesh_filter_3C = openmc.MeshFilter(mesh_3C)
+
+    tally_3C = openmc.Tally(name="Case 3C")
+    tally_3C.filters = [mesh_filter_3C]
+    tally_3C.scores = ['flux']
+    tally_3C.estimator = estimator
+
+    # Instantiate a Tallies collection and export to XML
+    tallies = openmc.Tallies([tally_3A, tally_3B, tally_3C])
+
+    ###############################################################################
+    # Assmble Model
+
+    model = openmc.model.Model()
+    model.geometry = geometry
+    model.materials = materials_file
+    model.settings = settings
+    model.xs_data = mg_cross_sections_file
+    model.tallies = tallies
+
+    return model
+
+@pytest.mark.parametrize("domain_type", ["cell", "material", "universe"])
+def test_random_ray_fixed_source(domain_type):
+    with change_directory(domain_type):
+        model = create_random_ray_model(domain_type)
+
+        harness = MGXSTestHarness('statepoint.10.h5', model)
+        harness.main()
diff --git a/tests/regression_tests/random_ray_fixed_source/universe/inputs_true.dat b/tests/regression_tests/random_ray_fixed_source/universe/inputs_true.dat
new file mode 100644
index 000000000..349917fee
--- /dev/null
+++ b/tests/regression_tests/random_ray_fixed_source/universe/inputs_true.dat
@@ -0,0 +1,204 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <cross_sections>mgxs.h5</cross_sections>
+    <material id="1" name="source">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="source"/>
+    </material>
+    <material id="2" name="void">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="void"/>
+    </material>
+    <material id="3" name="shield">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="shield"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" name="infinite source region" universe="1"/>
+    <cell id="2" material="2" name="infinite void region" universe="2"/>
+    <cell id="3" material="3" name="infinite shield region" universe="3"/>
+    <cell fill="4" id="4" name="source lattice cell" universe="7"/>
+    <cell fill="5" id="5" name="void lattice cell" universe="8"/>
+    <cell fill="6" id="6" name="shield lattice cell" universe="9"/>
+    <cell fill="10" id="7" name="dogleg lattice cell" universe="11"/>
+    <cell fill="11" id="8" name="full domain" region="1 -2 3 -4 5 -6" universe="12"/>
+    <lattice id="4">
+      <pitch>5.0 5.0 5.0</pitch>
+      <dimension>2 2 2</dimension>
+      <lower_left>-5.0 -5.0 -5.0</lower_left>
+      <universes>
+1 1 
+1 1 
+
+1 1 
+1 1 </universes>
+    </lattice>
+    <lattice id="5">
+      <pitch>5.0 5.0 5.0</pitch>
+      <dimension>2 2 2</dimension>
+      <lower_left>-5.0 -5.0 -5.0</lower_left>
+      <universes>
+2 2 
+2 2 
+
+2 2 
+2 2 </universes>
+    </lattice>
+    <lattice id="6">
+      <pitch>5.0 5.0 5.0</pitch>
+      <dimension>2 2 2</dimension>
+      <lower_left>-5.0 -5.0 -5.0</lower_left>
+      <universes>
+3 3 
+3 3 
+
+3 3 
+3 3 </universes>
+    </lattice>
+    <lattice id="10">
+      <pitch>10.0 10.0 10.0</pitch>
+      <dimension>6 10 6</dimension>
+      <lower_left>0.0 0.0 0.0</lower_left>
+      <universes>
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+8 8 8 8 9 9 
+8 9 9 9 9 9 
+8 9 9 9 9 9 
+8 9 9 9 9 9 
+8 9 9 9 9 9 
+7 9 9 9 9 9 
+
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 8 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 8 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+
+9 9 9 8 9 9 
+9 9 9 8 9 9 
+9 9 9 8 9 9 
+9 9 9 8 9 9 
+9 9 9 8 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 
+9 9 9 9 9 9 </universes>
+    </lattice>
+    <surface boundary="reflective" coeffs="0.0" id="1" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="60.0" id="2" type="x-plane"/>
+    <surface boundary="reflective" coeffs="0.0" id="3" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="100.0" id="4" type="y-plane"/>
+    <surface boundary="reflective" coeffs="0.0" id="5" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="60.0" id="6" type="z-plane"/>
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>1000</particles>
+    <batches>10</batches>
+    <inactive>5</inactive>
+    <source particle="neutron" strength="1.0" type="independent">
+      <energy type="discrete">
+        <parameters>100.0 1.0</parameters>
+      </energy>
+      <constraints>
+        <domain_type>universe</domain_type>
+        <domain_ids>1</domain_ids>
+      </constraints>
+    </source>
+    <energy_mode>multi-group</energy_mode>
+    <random_ray>
+      <distance_active>400.0</distance_active>
+      <distance_inactive>100.0</distance_inactive>
+      <source particle="neutron" strength="1.0" type="independent">
+        <space type="box">
+          <parameters>0.0 0.0 0.0 60.0 100.0 60.0</parameters>
+        </space>
+      </source>
+    </random_ray>
+  </settings>
+  <tallies>
+    <mesh id="1">
+      <dimension>1 10 1</dimension>
+      <lower_left>0.0 0.0 0.0</lower_left>
+      <upper_right>10.0 100.0 10.0</upper_right>
+    </mesh>
+    <mesh id="2">
+      <dimension>6 1 1</dimension>
+      <lower_left>0.0 50.0 0.0</lower_left>
+      <upper_right>60.0 60.0 10.0</upper_right>
+    </mesh>
+    <mesh id="3">
+      <dimension>6 1 1</dimension>
+      <lower_left>0.0 90.0 30.0</lower_left>
+      <upper_right>60.0 100.0 40.0</upper_right>
+    </mesh>
+    <filter id="1" type="mesh">
+      <bins>1</bins>
+    </filter>
+    <filter id="2" type="mesh">
+      <bins>2</bins>
+    </filter>
+    <filter id="3" type="mesh">
+      <bins>3</bins>
+    </filter>
+    <tally id="1" name="Case 3A">
+      <filters>1</filters>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="2" name="Case 3B">
+      <filters>2</filters>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="3" name="Case 3C">
+      <filters>3</filters>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/random_ray_fixed_source/universe/results_true.dat b/tests/regression_tests/random_ray_fixed_source/universe/results_true.dat
new file mode 100644
index 000000000..36d24e939
--- /dev/null
+++ b/tests/regression_tests/random_ray_fixed_source/universe/results_true.dat
@@ -0,0 +1,47 @@
+tally 1:
+3.751047E+01
+2.841797E+02
+9.930788E+00
+1.988180E+01
+3.781121E+00
+3.005165E+00
+2.383139E+00
+1.232560E+00
+1.561884E+00
+6.440577E-01
+1.089787E+00
+3.724896E-01
+6.608456E-01
+1.285592E-01
+2.372611E-01
+1.601299E-02
+7.814803E-02
+1.765829E-03
+2.862107E-02
+2.460129E-04
+tally 2:
+1.089787E+00
+3.724896E-01
+3.767926E-01
+3.724399E-02
+8.614120E-02
+1.526889E-03
+3.610725E-02
+2.629885E-04
+1.466261E-02
+4.536997E-05
+4.653106E-03
+4.381672E-06
+tally 3:
+1.617918E-03
+6.317049E-07
+1.161473E-03
+2.789553E-07
+1.198879E-03
+3.189531E-07
+1.031737E-03
+2.207381E-07
+5.466329E-04
+6.166808E-08
+2.146062E-04
+9.937520E-09
diff --git a/tests/regression_tests/random_ray_vacuum/results_true.dat b/tests/regression_tests/random_ray_vacuum/results_true.dat
index 744ce6cef..c25999aad 100644
--- a/tests/regression_tests/random_ray_vacuum/results_true.dat
+++ b/tests/regression_tests/random_ray_vacuum/results_true.dat
@@ -1,171 +1,171 @@
 k-combined:
 1.010455E-01 1.585558E-02
 tally 1:
-1.849176E-01
-7.634332E-03
-2.181815E-02
-1.062861E-04
-5.310100E-02
-6.295730E-04
-4.048251E-02
-3.851890E-04
-1.893676E-03
-8.448769E-07
-4.608828E-03
-5.004529E-06
-4.063643E-03
-4.022442E-06
-4.112970E-05
-4.186661E-10
-1.001015E-04
-2.479919E-09
-7.467029E-03
-1.178864E-05
-7.688748E-05
-1.266903E-09
-1.871288E-04
-7.504350E-09
-3.870644E-02
-3.010745E-04
-1.375240E-04
-3.807356E-09
-3.347099E-04
-2.255298E-08
-4.524967E-01
-4.098857E-02
-2.437418E-04
-1.190325E-08
-6.031220E-04
-7.288126E-08
-4.989226E-01
-4.993728E-02
-2.374296E-03
-1.135824E-06
-6.603983E-03
-8.787258E-06
-3.899991E-01
-3.308783E-02
+7.466984E-01
+1.245920E-01
+2.771079E-01
+1.714504E-02
+6.744252E-01
+1.015566E-01
+1.634870E-01
+6.288701E-03
+2.405120E-02
+1.362874E-04
+5.853580E-02
+8.072823E-04
+1.641162E-02
+6.568765E-05
+5.223801E-04
+6.753516E-08
+1.271369E-03
+4.000365E-07
+3.014736E-02
+1.922973E-04
+9.765325E-04
+2.043645E-07
+2.376685E-03
+1.210529E-06
+1.562379E-01
+4.906526E-03
+1.746664E-03
+6.141658E-07
+4.251084E-03
+3.638028E-06
+1.826385E+00
+6.678141E-01
+3.095716E-03
+1.920117E-06
+7.660132E-03
+1.175650E-05
+2.013809E+00
+8.136726E-01
+3.015545E-02
+1.832201E-04
+8.387586E-02
+1.417475E-03
+1.573069E+00
+5.388374E-01
 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-7.108982E-02
-1.144390E-03
+2.867849E-01
+1.864798E-02
 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-5.295259E-03
-6.352159E-06
+2.136372E-02
+1.035499E-04
 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-9.852001E-03
-1.984406E-05
+3.973323E-02
+3.229766E-04
 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-4.414391E-02
-3.905201E-04
+1.779974E-01
+6.350613E-03
 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-2.571668E-01
-1.323140E-02
+1.036886E+00
+2.151147E-01
 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-2.752932E-01
-1.517930E-02
+1.109991E+00
+2.468005E-01
 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-1.465446E-01
-4.901884E-03
-1.700791E-02
-6.587674E-05
-4.139385E-02
-3.902131E-04
-3.424032E-02
-2.841338E-04
-1.598985E-03
-6.216312E-07
-3.891610E-03
-3.682159E-06
-4.067582E-03
-4.209468E-06
-4.152829E-05
-4.494649E-10
-1.010715E-04
-2.662352E-09
-7.526712E-03
-1.225032E-05
-7.769969E-05
-1.328443E-09
-1.891055E-04
-7.868877E-09
-4.008649E-02
-3.246821E-04
-1.417944E-04
-4.070719E-09
-3.451035E-04
-2.411301E-08
-4.859902E-01
-4.747592E-02
-2.606214E-04
-1.369749E-08
-6.448895E-04
-8.386705E-08
-5.475198E-01
-6.061269E-02
-2.625477E-03
-1.405458E-06
-7.302631E-03
-1.087327E-05
-1.909660E-01
-8.147906E-03
-2.269063E-02
-1.149570E-04
-5.522446E-02
-6.809342E-04
-4.196583E-02
-4.141620E-04
-1.980406E-03
-9.227119E-07
-4.819913E-03
-5.465576E-06
-4.247004E-03
-4.420116E-06
-4.341806E-05
-4.691518E-10
-1.056709E-04
-2.778965E-09
-7.742814E-03
-1.272112E-05
-8.039606E-05
-1.389209E-09
-1.956679E-04
-8.228817E-09
-3.982370E-02
-3.190931E-04
-1.427171E-04
-4.103942E-09
-3.473492E-04
-2.430981E-08
-4.849535E-01
-4.707014E-02
-2.678327E-04
-1.438540E-08
-6.627333E-04
-8.807897E-08
-5.493457E-01
-6.069440E-02
-2.717400E-03
-1.501450E-06
-7.558312E-03
-1.161591E-05
+5.813217E-01
+7.704274E-02
+2.160141E-01
+1.062660E-02
+5.257350E-01
+6.294540E-02
+1.358032E-01
+4.462239E-03
+2.030839E-02
+1.002755E-04
+4.942655E-02
+5.939703E-04
+1.612888E-02
+6.604109E-05
+5.274425E-04
+7.250333E-08
+1.283689E-03
+4.294649E-07
+2.985723E-02
+1.925418E-04
+9.868482E-04
+2.142916E-07
+2.401791E-03
+1.269331E-06
+1.590678E-01
+5.110940E-03
+1.800903E-03
+6.566490E-07
+4.383091E-03
+3.889678E-06
+1.928611E+00
+7.475889E-01
+3.310101E-03
+2.209547E-06
+8.190613E-03
+1.352862E-05
+2.172777E+00
+9.544513E-01
+3.334566E-02
+2.267149E-04
+9.274926E-02
+1.753971E-03
+7.566911E-01
+1.278105E-01
+2.881892E-01
+1.854375E-02
+7.013949E-01
+1.098417E-01
+1.662732E-01
+6.495387E-03
+2.515274E-02
+1.488430E-04
+6.121675E-02
+8.816538E-04
+1.682747E-02
+6.933017E-05
+5.514441E-04
+7.567901E-08
+1.342104E-03
+4.482757E-07
+3.068773E-02
+1.997062E-04
+1.021094E-03
+2.240938E-07
+2.485139E-03
+1.327393E-06
+1.578722E-01
+5.013656E-03
+1.812622E-03
+6.620083E-07
+4.411613E-03
+3.921424E-06
+1.922798E+00
+7.400474E-01
+3.401690E-03
+2.320513E-06
+8.417243E-03
+1.420805E-05
+2.178318E+00
+9.546106E-01
+3.451316E-02
+2.421994E-04
+9.599661E-02
+1.873766E-03

From 8be35cd7b5c9e761cacfb49c258157cfaa850211 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Mon, 17 Jun 2024 14:25:05 -0500
Subject: [PATCH 2103/2654] Fix bug with invalidated iterators when enforcing
 precedence in region expressions (#2950)

---
 include/openmc/cell.h |  3 +--
 src/cell.cpp          | 47 +++++++++++++++++++++----------------------
 2 files changed, 24 insertions(+), 26 deletions(-)

diff --git a/include/openmc/cell.h b/include/openmc/cell.h
index e68443a32..d78614f05 100644
--- a/include/openmc/cell.h
+++ b/include/openmc/cell.h
@@ -128,8 +128,7 @@ private:
   void add_precedence();
 
   //! Add parenthesis to enforce precedence
-  std::vector<int32_t>::iterator add_parentheses(
-    std::vector<int32_t>::iterator start);
+  gsl::index add_parentheses(gsl::index start);
 
   //! Remove complement operators from the expression
   void remove_complement_ops();
diff --git a/src/cell.cpp b/src/cell.cpp
index a46f05687..888766787 100644
--- a/src/cell.cpp
+++ b/src/cell.cpp
@@ -578,17 +578,14 @@ void Region::apply_demorgan(
 //! precedence than unions using parentheses.
 //==============================================================================
 
-std::vector<int32_t>::iterator Region::add_parentheses(
-  std::vector<int32_t>::iterator start)
+gsl::index Region::add_parentheses(gsl::index start)
 {
-  int32_t start_token = *start;
-  // Add left parenthesis
-  if (start_token == OP_INTERSECTION) {
-    start = expression_.insert(start - 1, OP_LEFT_PAREN);
-  } else {
-    start = expression_.insert(start + 1, OP_LEFT_PAREN);
+  int32_t start_token = expression_[start];
+  // Add left parenthesis and set new position to be after parenthesis
+  if (start_token == OP_UNION) {
+    start += 2;
   }
-  start++;
+  expression_.insert(expression_.begin() + start - 1, OP_LEFT_PAREN);
 
   // Keep track of return iterator distance. If we don't encounter a left
   // parenthesis, we return an iterator corresponding to wherever the right
@@ -600,23 +597,23 @@ std::vector<int32_t>::iterator Region::add_parentheses(
 
   // Add right parenthesis
   // While the start iterator is within the bounds of infix
-  while (start < expression_.end()) {
+  while (start + 1 < expression_.size()) {
     start++;
 
     // If the current token is an operator and is different than the start token
-    if (*start >= OP_UNION && *start != start_token) {
+    if (expression_[start] >= OP_UNION && expression_[start] != start_token) {
       // Skip wrapped regions but save iterator position to check precedence and
       // add right parenthesis, right parenthesis position depends on the
       // operator, when the operator is a union then do not include the operator
       // in the region, when the operator is an intersection then include the
       // operator and next surface
-      if (*start == OP_LEFT_PAREN) {
-        return_it_dist = std::distance(expression_.begin(), start);
+      if (expression_[start] == OP_LEFT_PAREN) {
+        return_it_dist = start;
         int depth = 1;
         do {
           start++;
-          if (*start > OP_COMPLEMENT) {
-            if (*start == OP_RIGHT_PAREN) {
+          if (expression_[start] > OP_COMPLEMENT) {
+            if (expression_[start] == OP_RIGHT_PAREN) {
               depth--;
             } else {
               depth++;
@@ -624,10 +621,12 @@ std::vector<int32_t>::iterator Region::add_parentheses(
           }
         } while (depth > 0);
       } else {
-        start = expression_.insert(
-          start_token == OP_UNION ? start - 1 : start, OP_RIGHT_PAREN);
+        if (start_token == OP_UNION) {
+          --start;
+        }
+        expression_.insert(expression_.begin() + start, OP_RIGHT_PAREN);
         if (return_it_dist > 0) {
-          return expression_.begin() + return_it_dist;
+          return return_it_dist;
         } else {
           return start - 1;
         }
@@ -638,7 +637,7 @@ std::vector<int32_t>::iterator Region::add_parentheses(
   // return iterator
   expression_.push_back(OP_RIGHT_PAREN);
   if (return_it_dist > 0) {
-    return expression_.begin() + return_it_dist;
+    return return_it_dist;
   } else {
     return start - 1;
   }
@@ -651,21 +650,21 @@ void Region::add_precedence()
   int32_t current_op = 0;
   std::size_t current_dist = 0;
 
-  for (auto it = expression_.begin(); it != expression_.end(); it++) {
-    int32_t token = *it;
+  for (gsl::index i = 0; i < expression_.size(); i++) {
+    int32_t token = expression_[i];
 
     if (token == OP_UNION || token == OP_INTERSECTION) {
       if (current_op == 0) {
         // Set the current operator if is hasn't been set
         current_op = token;
-        current_dist = std::distance(expression_.begin(), it);
+        current_dist = i;
       } else if (token != current_op) {
         // If the current operator doesn't match the token, add parenthesis to
         // assert precedence
         if (current_op == OP_INTERSECTION) {
-          it = add_parentheses(expression_.begin() + current_dist);
+          i = add_parentheses(current_dist);
         } else {
-          it = add_parentheses(it);
+          i = add_parentheses(i);
         }
         current_op = 0;
         current_dist = 0;

From 89d4dafa5ab95503a423b6f18a58f1cea23e68f3 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Mon, 17 Jun 2024 16:00:45 -0500
Subject: [PATCH 2104/2654] Implement policy for Python, C++, and CMake
 versions (#3035)

---
 .github/workflows/ci.yml                      |  6 ----
 CMakeLists.txt                                | 18 +++-------
 docs/source/devguide/index.rst                |  1 +
 docs/source/devguide/policies.rst             | 35 +++++++++++++++++++
 docs/source/devguide/styleguide.rst           |  2 +-
 examples/custom_source/CMakeLists.txt         |  2 +-
 .../CMakeLists.txt                            |  2 +-
 setup.py                                      |  4 +--
 .../deplete_with_transfer_rates/test.py       |  1 -
 tests/unit_tests/test_data_photon.py          |  2 --
 10 files changed, 44 insertions(+), 29 deletions(-)
 create mode 100644 docs/source/devguide/policies.rst

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index 7aaaf1da4..9293e319b 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -35,12 +35,6 @@ jobs:
         vectfit: [n]
 
         include:
-          - python-version: "3.8"
-            omp: n
-            mpi: n
-          - python-version: "3.9"
-            omp: n
-            mpi: n
           - python-version: "3.11"
             omp: n
             mpi: n
diff --git a/CMakeLists.txt b/CMakeLists.txt
index 1841251ff..98473e492 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -1,4 +1,4 @@
-cmake_minimum_required(VERSION 3.10 FATAL_ERROR)
+cmake_minimum_required(VERSION 3.16 FATAL_ERROR)
 project(openmc C CXX)
 
 # Set version numbers
@@ -16,11 +16,6 @@ set(CMAKE_RUNTIME_OUTPUT_DIRECTORY ${CMAKE_BINARY_DIR}/bin)
 # Set module path
 set(CMAKE_MODULE_PATH ${CMAKE_CURRENT_SOURCE_DIR}/cmake/Modules)
 
-# Allow user to specify <project>_ROOT variables
-if (CMAKE_VERSION VERSION_GREATER_EQUAL 3.12)
-  cmake_policy(SET CMP0074 NEW)
-endif()
-
 # Enable correct usage of CXX_EXTENSIONS
 if (CMAKE_VERSION VERSION_GREATER_EQUAL 3.22)
   cmake_policy(SET CMP0128 NEW)
@@ -272,11 +267,6 @@ endif()
 # xtensor header-only library
 #===============================================================================
 
-# CMake 3.13+ will complain about policy CMP0079 unless it is set explicitly
-if (CMAKE_VERSION VERSION_GREATER_EQUAL 3.13)
-  cmake_policy(SET CMP0079 NEW)
-endif()
-
 find_package_write_status(xtensor)
 if (NOT xtensor_FOUND)
   add_subdirectory(vendor/xtl)
@@ -580,9 +570,9 @@ target_compile_options(openmc PRIVATE ${cxxflags})
 target_include_directories(openmc PRIVATE ${CMAKE_BINARY_DIR}/include)
 target_link_libraries(openmc libopenmc)
 
-# Ensure C++14 standard is used and turn off GNU extensions
-target_compile_features(openmc PUBLIC cxx_std_14)
-target_compile_features(libopenmc PUBLIC cxx_std_14)
+# Ensure C++17 standard is used and turn off GNU extensions
+target_compile_features(openmc PUBLIC cxx_std_17)
+target_compile_features(libopenmc PUBLIC cxx_std_17)
 set_target_properties(openmc libopenmc PROPERTIES CXX_EXTENSIONS OFF)
 
 #===============================================================================
diff --git a/docs/source/devguide/index.rst b/docs/source/devguide/index.rst
index d100fdcdf..2e131e094 100644
--- a/docs/source/devguide/index.rst
+++ b/docs/source/devguide/index.rst
@@ -15,6 +15,7 @@ other related topics.
     contributing
     workflow
     styleguide
+    policies
     tests
     user-input
     docbuild
diff --git a/docs/source/devguide/policies.rst b/docs/source/devguide/policies.rst
new file mode 100644
index 000000000..2cf319987
--- /dev/null
+++ b/docs/source/devguide/policies.rst
@@ -0,0 +1,35 @@
+.. _devguide_policies:
+
+========
+Policies
+========
+
+---------------------
+Python Version Policy
+---------------------
+
+OpenMC follows the Scientific Python Ecosystem Coordination guidelines `SPEC 0
+<https://scientific-python.org/specs/spec-0000/>`_ on minimum supported
+versions, which recommends that support for Python versions be dropped 3 years
+after their initial release.
+
+-------------------
+C++ Standard Policy
+-------------------
+
+C++ code in OpenMC must conform to the most recent C++ standard that is fully
+supported in the `version of the gcc compiler
+<https://gcc.gnu.org/projects/cxx-status.html>`_ that is distributed with the
+oldest version of Ubuntu that is still within its `standard support period
+<https://ubuntu.com/about/release-cycle>`_. Ubuntu 20.04 LTS will be supported
+through April 2025 and is distributed with gcc 9.3.0, which fully supports the
+C++17 standard.
+
+--------------------
+CMake Version Policy
+--------------------
+
+Similar to the C++ standard policy, the minimum supported version of CMake
+corresponds to whatever version is distributed with the oldest version of Ubuntu
+still within its standard support period. Ubuntu 20.04 LTS is distributed with
+CMake 3.16.
diff --git a/docs/source/devguide/styleguide.rst b/docs/source/devguide/styleguide.rst
index 3c71d14ad..b266f5f02 100644
--- a/docs/source/devguide/styleguide.rst
+++ b/docs/source/devguide/styleguide.rst
@@ -40,7 +40,7 @@ Follow the `C++ Core Guidelines`_ except when they conflict with another
 guideline listed here. For convenience, many important guidelines from that
 list are repeated here.
 
-Conform to the C++14 standard.
+Conform to the C++17 standard.
 
 Always use C++-style comments (``//``) as opposed to C-style (``/**/``). (It
 is more difficult to comment out a large section of code that uses C-style
diff --git a/examples/custom_source/CMakeLists.txt b/examples/custom_source/CMakeLists.txt
index 21463ed51..ba5ae94ad 100644
--- a/examples/custom_source/CMakeLists.txt
+++ b/examples/custom_source/CMakeLists.txt
@@ -1,4 +1,4 @@
-cmake_minimum_required(VERSION 3.10 FATAL_ERROR)
+cmake_minimum_required(VERSION 3.16 FATAL_ERROR)
 project(openmc_sources CXX)
 add_library(source SHARED source_ring.cpp)
 find_package(OpenMC REQUIRED)
diff --git a/examples/parameterized_custom_source/CMakeLists.txt b/examples/parameterized_custom_source/CMakeLists.txt
index 8232f3b54..20dac4d8f 100644
--- a/examples/parameterized_custom_source/CMakeLists.txt
+++ b/examples/parameterized_custom_source/CMakeLists.txt
@@ -1,4 +1,4 @@
-cmake_minimum_required(VERSION 3.10 FATAL_ERROR)
+cmake_minimum_required(VERSION 3.16 FATAL_ERROR)
 project(openmc_sources CXX)
 add_library(parameterized_source SHARED parameterized_source_ring.cpp)
 find_package(OpenMC REQUIRED)
diff --git a/setup.py b/setup.py
index a33037ad3..de87e1490 100755
--- a/setup.py
+++ b/setup.py
@@ -53,15 +53,13 @@ kwargs = {
         'Topic :: Scientific/Engineering'
         'Programming Language :: C++',
         'Programming Language :: Python :: 3',
-        'Programming Language :: Python :: 3.8',
-        'Programming Language :: Python :: 3.9',
         'Programming Language :: Python :: 3.10',
         'Programming Language :: Python :: 3.11',
         'Programming Language :: Python :: 3.12',
     ],
 
     # Dependencies
-    'python_requires': '>=3.8',
+    'python_requires': '>=3.10',
     'install_requires': [
         'numpy>=1.9', 'h5py', 'scipy', 'ipython', 'matplotlib',
         'pandas', 'lxml', 'uncertainties', 'setuptools'
diff --git a/tests/regression_tests/deplete_with_transfer_rates/test.py b/tests/regression_tests/deplete_with_transfer_rates/test.py
index 669fd4bea..9bd5a052b 100644
--- a/tests/regression_tests/deplete_with_transfer_rates/test.py
+++ b/tests/regression_tests/deplete_with_transfer_rates/test.py
@@ -46,7 +46,6 @@ def model():
 
     return openmc.Model(geometry, materials, settings)
 
-@pytest.mark.skipif(sys.version_info < (3, 9), reason="Requires Python 3.9+")
 @pytest.mark.parametrize("rate, dest_mat, power, ref_result", [
     (1e-5, None, 0.0, 'no_depletion_only_removal'),
     (-1e-5, None, 0.0, 'no_depletion_only_feed'),
diff --git a/tests/unit_tests/test_data_photon.py b/tests/unit_tests/test_data_photon.py
index 171dd52f3..010ac1f35 100644
--- a/tests/unit_tests/test_data_photon.py
+++ b/tests/unit_tests/test_data_photon.py
@@ -121,8 +121,6 @@ def test_reactions(element, reaction):
         reactions[18]
 
 
-# TODO: Remove skip when support is Python 3.9+
-@pytest.mark.skipif(not hasattr(pd.options, 'future'), reason='pandas version too old')
 @pytest.mark.parametrize('element', ['Pu'], indirect=True)
 def test_export_to_hdf5(tmpdir, element):
     filename = str(tmpdir.join('tmp.h5'))

From ce4176deb5b8f64a45c46ad87063c76140ce77dd Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Mon, 17 Jun 2024 16:14:12 -0500
Subject: [PATCH 2105/2654] Hexagonal lattice iterators (#2921)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 include/openmc/lattice.h                      |  35 +++---
 src/geometry_aux.cpp                          |   3 +-
 src/lattice.cpp                               |  46 +++++--
 .../cell_instances/test_hex_multilattice.py   | 119 ++++++++++++++++++
 .../test_rect_multilattice.py}                |  22 ++--
 5 files changed, 192 insertions(+), 33 deletions(-)
 create mode 100644 tests/unit_tests/cell_instances/test_hex_multilattice.py
 rename tests/unit_tests/{test_cell_instance.py => cell_instances/test_rect_multilattice.py} (84%)

diff --git a/include/openmc/lattice.h b/include/openmc/lattice.h
index 11dda4a6b..429d81ddd 100644
--- a/include/openmc/lattice.h
+++ b/include/openmc/lattice.h
@@ -56,13 +56,14 @@ public:
 
   virtual ~Lattice() {}
 
-  virtual int32_t const& operator[](array<int, 3> const& i_xyz) = 0;
+  virtual const int32_t& operator[](const array<int, 3>& i_xyz) = 0;
 
   virtual LatticeIter begin();
-  LatticeIter end();
+  virtual LatticeIter end();
+  virtual int32_t& back();
 
   virtual ReverseLatticeIter rbegin();
-  ReverseLatticeIter rend();
+  virtual ReverseLatticeIter rend();
 
   //! Convert internal universe values from IDs to indices using universe_map.
   void adjust_indices();
@@ -81,7 +82,7 @@ public:
   //! \param i_xyz[3] The indices for a lattice tile.
   //! \return true if the given indices fit within the lattice bounds.  False
   //!   otherwise.
-  virtual bool are_valid_indices(array<int, 3> const& i_xyz) const = 0;
+  virtual bool are_valid_indices(const array<int, 3>& i_xyz) const = 0;
 
   //! \brief Find the next lattice surface crossing
   //! \param r A 3D Cartesian coordinate.
@@ -125,7 +126,7 @@ public:
   //! \param i_xyz[3] The indices for a lattice tile.
   //! \return Distribcell offset i.e. the largest instance number for the target
   //!  cell found in the geometry tree under this lattice tile.
-  virtual int32_t& offset(int map, array<int, 3> const& i_xyz) = 0;
+  virtual int32_t& offset(int map, const array<int, 3>& i_xyz) = 0;
 
   //! \brief Get the distribcell offset for a lattice tile.
   //! \param The map index for the target cell.
@@ -167,12 +168,12 @@ public:
 
   LatticeIter& operator++()
   {
-    while (indx_ < lat_.universes_.size()) {
+    while (indx_ < lat_.end().indx_) {
       ++indx_;
       if (lat_.is_valid_index(indx_))
         return *this;
     }
-    indx_ = lat_.universes_.size();
+    indx_ = lat_.end().indx_;
     return *this;
   }
 
@@ -190,7 +191,7 @@ public:
 
   ReverseLatticeIter& operator++()
   {
-    while (indx_ > -1) {
+    while (indx_ > lat_.begin().indx_ - 1) {
       --indx_;
       if (lat_.is_valid_index(indx_))
         return *this;
@@ -206,9 +207,9 @@ class RectLattice : public Lattice {
 public:
   explicit RectLattice(pugi::xml_node lat_node);
 
-  int32_t const& operator[](array<int, 3> const& i_xyz) override;
+  const int32_t& operator[](const array<int, 3>& i_xyz) override;
 
-  bool are_valid_indices(array<int, 3> const& i_xyz) const override;
+  bool are_valid_indices(const array<int, 3>& i_xyz) const override;
 
   std::pair<double, array<int, 3>> distance(
     Position r, Direction u, const array<int, 3>& i_xyz) const override;
@@ -221,7 +222,7 @@ public:
   Position get_local_position(
     Position r, const array<int, 3>& i_xyz) const override;
 
-  int32_t& offset(int map, array<int, 3> const& i_xyz) override;
+  int32_t& offset(int map, const array<int, 3>& i_xyz) override;
 
   int32_t offset(int map, int indx) const override;
 
@@ -241,13 +242,19 @@ class HexLattice : public Lattice {
 public:
   explicit HexLattice(pugi::xml_node lat_node);
 
-  int32_t const& operator[](array<int, 3> const& i_xyz) override;
+  const int32_t& operator[](const array<int, 3>& i_xyz) override;
 
   LatticeIter begin() override;
 
   ReverseLatticeIter rbegin() override;
 
-  bool are_valid_indices(array<int, 3> const& i_xyz) const override;
+  LatticeIter end() override;
+
+  int32_t& back() override;
+
+  ReverseLatticeIter rend() override;
+
+  bool are_valid_indices(const array<int, 3>& i_xyz) const override;
 
   std::pair<double, array<int, 3>> distance(
     Position r, Direction u, const array<int, 3>& i_xyz) const override;
@@ -262,7 +269,7 @@ public:
 
   bool is_valid_index(int indx) const override;
 
-  int32_t& offset(int map, array<int, 3> const& i_xyz) override;
+  int32_t& offset(int map, const array<int, 3>& i_xyz) override;
 
   int32_t offset(int map, int indx) const override;
 
diff --git a/src/geometry_aux.cpp b/src/geometry_aux.cpp
index 10b239be8..050d4db96 100644
--- a/src/geometry_aux.cpp
+++ b/src/geometry_aux.cpp
@@ -530,7 +530,8 @@ std::string distribcell_path_inner(int32_t target_cell, int32_t map,
     if (c.type_ != Fill::MATERIAL) {
       int32_t temp_offset;
       if (c.type_ == Fill::UNIVERSE) {
-        temp_offset = offset + c.offset_[map];
+        temp_offset =
+          offset + c.offset_[map]; // TODO: should also apply to lattice fills?
       } else {
         Lattice& lat = *model::lattices[c.fill_];
         int32_t indx = lat.universes_.size() * map + lat.begin().indx_;
diff --git a/src/lattice.cpp b/src/lattice.cpp
index fa2e2828e..73005ad09 100644
--- a/src/lattice.cpp
+++ b/src/lattice.cpp
@@ -58,6 +58,11 @@ LatticeIter Lattice::end()
   return LatticeIter(*this, universes_.size());
 }
 
+int32_t& Lattice::back()
+{
+  return universes_.back();
+}
+
 ReverseLatticeIter Lattice::rbegin()
 {
   return ReverseLatticeIter(*this, universes_.size() - 1);
@@ -106,9 +111,10 @@ int32_t Lattice::fill_offset_table(int32_t offset, int32_t target_univ_id,
   // offsets_ array doesn't actually include the offset accounting for the last
   // universe, so we get the before-last offset for the given map and then
   // explicitly add the count for the last universe.
-  if (offsets_[map * universes_.size()] != C_NONE) {
-    int last_offset = offsets_[(map + 1) * universes_.size() - 1];
-    int last_univ = universes_.back();
+  if (offsets_[map * universes_.size() + this->begin().indx_] != C_NONE) {
+    int last_offset =
+      offsets_[(map + 1) * universes_.size() - this->begin().indx_ - 1];
+    int last_univ = this->back();
     return last_offset +
            count_universe_instances(last_univ, target_univ_id, univ_count_memo);
   }
@@ -117,6 +123,7 @@ int32_t Lattice::fill_offset_table(int32_t offset, int32_t target_univ_id,
     offsets_[map * universes_.size() + it.indx_] = offset;
     offset += count_universe_instances(*it, target_univ_id, univ_count_memo);
   }
+
   return offset;
 }
 
@@ -225,14 +232,14 @@ RectLattice::RectLattice(pugi::xml_node lat_node) : Lattice {lat_node}
 
 //==============================================================================
 
-int32_t const& RectLattice::operator[](array<int, 3> const& i_xyz)
+const int32_t& RectLattice::operator[](const array<int, 3>& i_xyz)
 {
   return universes_[get_flat_index(i_xyz)];
 }
 
 //==============================================================================
 
-bool RectLattice::are_valid_indices(array<int, 3> const& i_xyz) const
+bool RectLattice::are_valid_indices(const array<int, 3>& i_xyz) const
 {
   return ((i_xyz[0] >= 0) && (i_xyz[0] < n_cells_[0]) && (i_xyz[1] >= 0) &&
           (i_xyz[1] < n_cells_[1]) && (i_xyz[2] >= 0) &&
@@ -354,7 +361,7 @@ Position RectLattice::get_local_position(
 
 //==============================================================================
 
-int32_t& RectLattice::offset(int map, array<int, 3> const& i_xyz)
+int32_t& RectLattice::offset(int map, const array<int, 3>& i_xyz)
 {
   return offsets_[n_cells_[0] * n_cells_[1] * n_cells_[2] * map +
                   n_cells_[0] * n_cells_[1] * i_xyz[2] +
@@ -676,13 +683,19 @@ void HexLattice::fill_lattice_y(const vector<std::string>& univ_words)
 
 //==============================================================================
 
-int32_t const& HexLattice::operator[](array<int, 3> const& i_xyz)
+const int32_t& HexLattice::operator[](const array<int, 3>& i_xyz)
 {
   return universes_[get_flat_index(i_xyz)];
 }
 
 //==============================================================================
 
+// The HexLattice iterators need their own versions b/c the universes array is
+// "square", meaning that it is allocated with entries that are intentionally
+// left empty. As such, the iterator indices need to skip the empty entries to
+// get cell instances and geometry paths correct. See the image in the Theory
+// and Methodology section on "Hexagonal Lattice Indexing" for a visual of where
+// the empty positions are.
 LatticeIter HexLattice::begin()
 {
   return LatticeIter(*this, n_rings_ - 1);
@@ -693,9 +706,24 @@ ReverseLatticeIter HexLattice::rbegin()
   return ReverseLatticeIter(*this, universes_.size() - n_rings_);
 }
 
+int32_t& HexLattice::back()
+{
+  return universes_[universes_.size() - n_rings_];
+}
+
+LatticeIter HexLattice::end()
+{
+  return LatticeIter(*this, universes_.size() - n_rings_ + 1);
+}
+
+ReverseLatticeIter HexLattice::rend()
+{
+  return ReverseLatticeIter(*this, n_rings_ - 2);
+}
+
 //==============================================================================
 
-bool HexLattice::are_valid_indices(array<int, 3> const& i_xyz) const
+bool HexLattice::are_valid_indices(const array<int, 3>& i_xyz) const
 {
   // Check if (x, alpha, z) indices are valid, accounting for number of rings
   return ((i_xyz[0] >= 0) && (i_xyz[1] >= 0) && (i_xyz[2] >= 0) &&
@@ -992,7 +1020,7 @@ bool HexLattice::is_valid_index(int indx) const
 
 //==============================================================================
 
-int32_t& HexLattice::offset(int map, array<int, 3> const& i_xyz)
+int32_t& HexLattice::offset(int map, const array<int, 3>& i_xyz)
 {
   int nx {2 * n_rings_ - 1};
   int ny {2 * n_rings_ - 1};
diff --git a/tests/unit_tests/cell_instances/test_hex_multilattice.py b/tests/unit_tests/cell_instances/test_hex_multilattice.py
new file mode 100644
index 000000000..3f503fe9b
--- /dev/null
+++ b/tests/unit_tests/cell_instances/test_hex_multilattice.py
@@ -0,0 +1,119 @@
+from math import sqrt
+
+import pytest
+import numpy as np
+import openmc
+import openmc.lib
+
+from tests import cdtemp
+
+
+@pytest.fixture(scope='module', autouse=True)
+def double_hex_lattice_model():
+    openmc.reset_auto_ids()
+    radius = 0.9
+    pin_lattice_pitch = 2.0
+    # make the hex prism a little larger to make sure test
+    # locations are definitively in the model
+    hex_prism_edge = 1.2 * pin_lattice_pitch
+
+    model = openmc.Model()
+
+    # materials
+    nat_u = openmc.Material()
+    nat_u.set_density('g/cm3', 12.0)
+    nat_u.add_element('U', 1.0)
+
+    graphite = openmc.Material()
+    graphite.set_density('g/cm3', 1.1995)
+    graphite.add_element('C', 1.0)
+
+    # zplanes to define lower and upper region
+    z_low = openmc.ZPlane(-10, boundary_type='vacuum')
+    z_mid = openmc.ZPlane(0)
+    z_high = openmc.ZPlane(10, boundary_type='vacuum')
+    hex_prism = openmc.model.HexagonalPrism(
+        edge_length=hex_prism_edge, boundary_type='reflective')
+
+    # geometry
+    cyl = openmc.ZCylinder(r=radius)
+    univ = openmc.model.pin([cyl], [nat_u, graphite])
+
+    # create a hexagonal lattice of compacts
+    hex_lattice = openmc.HexLattice()
+    hex_lattice.orientation = 'y'
+    hex_lattice.pitch = (pin_lattice_pitch,)
+    hex_lattice.center = (0., 0.)
+    center = [univ]
+    ring = [univ, univ, univ, univ, univ, univ]
+    hex_lattice.universes = [ring, center]
+    lower_hex_cell = openmc.Cell(fill=hex_lattice, region=-hex_prism & +z_low & -z_mid)
+    upper_hex_cell = openmc.Cell(fill=hex_lattice, region=-hex_prism & +z_mid & -z_high)
+    hex_cells = [lower_hex_cell, upper_hex_cell]
+    model.geometry = openmc.Geometry(hex_cells)
+
+    # moderator
+    cell = next(iter(univ.get_all_cells().values()))
+    tally = openmc.Tally(tally_id=1)
+    filter = openmc.DistribcellFilter(cell)
+    tally.filters = [filter]
+    tally.scores = ['flux']
+    model.tallies = [tally]
+
+    # settings
+    # source definition. fission source given bounding box of graphite active region
+    system_LL = (-pin_lattice_pitch*sqrt(3)/2, -pin_lattice_pitch, -5)
+    system_UR = (pin_lattice_pitch*sqrt(3)/2, pin_lattice_pitch, 5)
+    source_dist = openmc.stats.Box(system_LL, system_UR)
+    model.settings.source = openmc.IndependentSource(space=source_dist)
+    model.settings.particles = 100
+    model.settings.inactive = 2
+    model.settings.batches = 10
+
+    with cdtemp():
+        model.export_to_xml()
+        openmc.lib.init()
+        yield
+        openmc.lib.finalize()
+
+
+# Lower cell instances
+#          6
+#     5         4
+#          3
+#     2         1
+#          0
+# Upper cell instances
+#          13
+#     12        11
+#          10
+#     9         8
+#          7
+hex_expected_results = [
+    ((0.0, -2.0, -5.0), 0),
+    ((1.732, -1.0, -5.0), 1),
+    ((-1.732, -1.0, -5.0), 2),
+    ((0.0, 0.0, -0.1), 3),
+    ((1.732, 1.0, -5.0), 4),
+    ((-1.732, 1.0, -5.0), 5),
+    ((0.0, 2.0, -0.1), 6),
+    ((0.0, -2.0, 5.0), 7),
+    ((1.732, -1.0, 5.0), 8),
+    ((-1.732, -1.0, 5.0), 9),
+    ((0.0, 0.0, 5.0), 10),
+    ((1.732, 1.0, 5.0), 11),
+    ((-1.732, 1.0, 5.0), 12),
+    ((0.0, 2.0, 5.0), 13),
+]
+
+
+@pytest.mark.parametrize("r,expected_cell_instance", hex_expected_results, ids=str)
+def test_cell_instance_hex_multilattice(r, expected_cell_instance):
+    _, cell_instance = openmc.lib.find_cell(r)
+    assert cell_instance == expected_cell_instance
+
+
+def test_cell_instance_multilattice_results():
+    openmc.lib.run()
+    tally_results = openmc.lib.tallies[1].mean
+    assert (tally_results != 0.0).all()
diff --git a/tests/unit_tests/test_cell_instance.py b/tests/unit_tests/cell_instances/test_rect_multilattice.py
similarity index 84%
rename from tests/unit_tests/test_cell_instance.py
rename to tests/unit_tests/cell_instances/test_rect_multilattice.py
index 25c20cfef..aaecb3bda 100644
--- a/tests/unit_tests/test_cell_instance.py
+++ b/tests/unit_tests/cell_instances/test_rect_multilattice.py
@@ -1,5 +1,5 @@
-import numpy as np
 import pytest
+import numpy as np
 
 import openmc
 import openmc.lib
@@ -8,7 +8,7 @@ from tests import cdtemp
 
 
 @pytest.fixture(scope='module', autouse=True)
-def double_lattice_model():
+def double_rect_lattice_model():
     openmc.reset_auto_ids()
     model = openmc.Model()
 
@@ -40,8 +40,9 @@ def double_lattice_model():
     cell_with_lattice2.translation = (2., 0., 0.)
     model.geometry = openmc.Geometry([cell_with_lattice1, cell_with_lattice2])
 
-    tally = openmc.Tally()
-    tally.filters = [openmc.DistribcellFilter(c)]
+    tally = openmc.Tally(tally_id=1)
+    dcell_filter = openmc.DistribcellFilter(c)
+    tally.filters = [dcell_filter]
     tally.scores = ['flux']
     model.tallies = [tally]
 
@@ -50,7 +51,8 @@ def double_lattice_model():
     bbox[0][2] = -0.5
     bbox[1][2] = 0.5
     space = openmc.stats.Box(*bbox)
-    model.settings.source = openmc.IndependentSource(space=space)
+    source = openmc.IndependentSource(space=space)
+    model.settings.source = source
 
     # Add necessary settings and export
     model.settings.batches = 10
@@ -63,14 +65,13 @@ def double_lattice_model():
         yield
         openmc.lib.finalize()
 
-
 # This shows the expected cell instance numbers for each lattice position:
 #      ┌─┬─┬─┬─┐
 #      │2│3│6│7│
 #      ├─┼─┼─┼─┤
 #      │0│1│4│5│
 #      └─┴─┴─┴─┘
-expected_results = [
+rect_expected_results = [
     ((0.5, 0.5, 0.0), 0),
     ((1.5, 0.5, 0.0), 1),
     ((0.5, 1.5, 0.0), 2),
@@ -80,13 +81,16 @@ expected_results = [
     ((2.5, 1.5, 0.0), 6),
     ((3.5, 1.5, 0.0), 7),
 ]
-@pytest.mark.parametrize("r,expected_cell_instance", expected_results)
-def test_cell_instance_multilattice(r, expected_cell_instance):
+
+
+@pytest.mark.parametrize("r,expected_cell_instance", rect_expected_results, ids=lambda p : f'{p}')
+def test_cell_instance_rect_multilattice(r, expected_cell_instance):
     _, cell_instance = openmc.lib.find_cell(r)
     assert cell_instance == expected_cell_instance
 
 
 def test_cell_instance_multilattice_results():
+    openmc.run()
     openmc.lib.run()
     tally_results = openmc.lib.tallies[1].mean
     assert (tally_results != 0.0).all()

From 97537d5e9ae9284262bc1d54cc3e51227627f397 Mon Sep 17 00:00:00 2001
From: vanessalulla <vlulla@umich.edu>
Date: Mon, 17 Jun 2024 23:31:34 -0400
Subject: [PATCH 2106/2654] Rename max_splits to max_history_splits, set
 default value to 1.0e7 (#2954)

Co-authored-by: Patrick Shriwise <pshriwise@gmail.com>
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 docs/source/io_formats/settings.rst           |  4 +--
 include/openmc/settings.h                     |  3 +-
 openmc/settings.py                            | 36 ++++++++++---------
 src/finalize.cpp                              |  4 +--
 src/settings.cpp                              |  7 ++--
 src/weight_windows.cpp                        |  2 +-
 .../weightwindows/generators/test.py          |  2 +-
 .../weightwindows/inputs_true.dat             |  2 +-
 tests/regression_tests/weightwindows/test.py  |  2 +-
 tests/unit_tests/weightwindows/test.py        |  2 +-
 tests/unit_tests/weightwindows/test_ww_gen.py |  2 +-
 11 files changed, 36 insertions(+), 30 deletions(-)

diff --git a/docs/source/io_formats/settings.rst b/docs/source/io_formats/settings.rst
index ae3266dab..6e9a7f2ab 100644
--- a/docs/source/io_formats/settings.rst
+++ b/docs/source/io_formats/settings.rst
@@ -285,10 +285,10 @@ then, OpenMC will only use up to the :math:`P_1` data.
     :ref:`energy_mode`.
 
 ------------------------
-``<max_splits>`` Element
+``<max_history_splits>`` Element
 ------------------------
 
-The ``<max_splits>`` element indicates the number of times a particle can split during a history.
+The ``<max_history_splits>`` element indicates the number of times a particle can split during a history.
 
   *Default*: 1000
 
diff --git a/include/openmc/settings.h b/include/openmc/settings.h
index b71ec3649..df4a54a6f 100644
--- a/include/openmc/settings.h
+++ b/include/openmc/settings.h
@@ -121,7 +121,8 @@ extern std::unordered_set<int>
   statepoint_batch; //!< Batches when state should be written
 extern std::unordered_set<int>
   source_write_surf_id; //!< Surface ids where sources will be written
-extern int max_splits; //!< maximum number of particle splits for weight windows
+extern int
+  max_history_splits; //!< maximum number of particle splits for weight windows
 extern int64_t max_surface_particles; //!< maximum number of particles to be
                                       //!< banked on surfaces per process
 extern TemperatureMethod
diff --git a/openmc/settings.py b/openmc/settings.py
index 631246029..9565c2b78 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -116,7 +116,7 @@ class Settings:
         .. versionadded:: 0.14.1
     max_order : None or int
         Maximum scattering order to apply globally when in multi-group mode.
-    max_splits : int
+    max_history_splits : int
         Maximum number of times a particle can split during a history
 
         .. versionadded:: 0.13
@@ -358,7 +358,7 @@ class Settings:
         self._weight_windows_on = None
         self._weight_windows_file = None
         self._weight_window_checkpoints = {}
-        self._max_splits = None
+        self._max_history_splits = None
         self._max_tracks = None
 
         self._random_ray = {}
@@ -1007,14 +1007,18 @@ class Settings:
         self._weight_window_checkpoints = weight_window_checkpoints
 
     @property
-    def max_splits(self) -> int:
-        return self._max_splits
+    def max_splits(self):
+        raise AttributeError('max_splits has been deprecated. Please use max_history_splits instead')
 
-    @max_splits.setter
-    def max_splits(self, value: int):
+    @property
+    def max_history_splits(self) -> int:
+        return self._max_history_splits
+
+    @max_history_splits.setter
+    def max_history_splits(self, value: int):
         cv.check_type('maximum particle splits', value, Integral)
         cv.check_greater_than('max particle splits', value, 0)
-        self._max_splits = value
+        self._max_history_splits = value
 
     @property
     def max_tracks(self) -> int:
@@ -1472,10 +1476,10 @@ class Settings:
             subelement = ET.SubElement(element, "surface")
             subelement.text = str(self._weight_window_checkpoints['surface']).lower()
 
-    def _create_max_splits_subelement(self, root):
-        if self._max_splits is not None:
-            elem = ET.SubElement(root, "max_splits")
-            elem.text = str(self._max_splits)
+    def _create_max_history_splits_subelement(self, root):
+        if self._max_history_splits is not None:
+            elem = ET.SubElement(root, "max_history_splits")
+            elem.text = str(self._max_history_splits)
 
     def _create_max_tracks_subelement(self, root):
         if self._max_tracks is not None:
@@ -1834,10 +1838,10 @@ class Settings:
                 value = value in ('true', '1')
                 self.weight_window_checkpoints[key] = value
 
-    def _max_splits_from_xml_element(self, root):
-        text = get_text(root, 'max_splits')
+    def _max_history_splits_from_xml_element(self, root):
+        text = get_text(root, 'max_history_splits')
         if text is not None:
-            self.max_splits = int(text)
+            self.max_history_splits = int(text)
 
     def _max_tracks_from_xml_element(self, root):
         text = get_text(root, 'max_tracks')
@@ -1915,7 +1919,7 @@ class Settings:
         self._create_weight_window_generators_subelement(element, mesh_memo)
         self._create_weight_windows_file_element(element)
         self._create_weight_window_checkpoints_subelement(element)
-        self._create_max_splits_subelement(element)
+        self._create_max_history_splits_subelement(element)
         self._create_max_tracks_subelement(element)
         self._create_random_ray_subelement(element)
 
@@ -2019,7 +2023,7 @@ class Settings:
         settings._weight_windows_from_xml_element(elem, meshes)
         settings._weight_window_generators_from_xml_element(elem, meshes)
         settings._weight_window_checkpoints_from_xml_element(elem)
-        settings._max_splits_from_xml_element(elem)
+        settings._max_history_splits_from_xml_element(elem)
         settings._max_tracks_from_xml_element(elem)
         settings._random_ray_from_xml_element(elem)
 
diff --git a/src/finalize.cpp b/src/finalize.cpp
index 26efc9723..2bde0e338 100644
--- a/src/finalize.cpp
+++ b/src/finalize.cpp
@@ -91,8 +91,8 @@ int openmc_finalize()
   settings::max_lost_particles = 10;
   settings::max_order = 0;
   settings::max_particles_in_flight = 100000;
-  settings::max_particle_events = 1000000;
-  settings::max_splits = 1000;
+  settings::max_particle_events = 1'000'000;
+  settings::max_history_splits = 10'000'000;
   settings::max_tracks = 1000;
   settings::max_write_lost_particles = -1;
   settings::n_log_bins = 8000;
diff --git a/src/settings.cpp b/src/settings.cpp
index 136020d4a..f5cd1b7e9 100644
--- a/src/settings.cpp
+++ b/src/settings.cpp
@@ -107,7 +107,7 @@ int max_order {0};
 int n_log_bins {8000};
 int n_batches;
 int n_max_batches;
-int max_splits {1000};
+int max_history_splits {10'000'000};
 int max_tracks {1000};
 ResScatMethod res_scat_method {ResScatMethod::rvs};
 double res_scat_energy_min {0.01};
@@ -981,8 +981,9 @@ void read_settings_xml(pugi::xml_node root)
     weight_windows_on = get_node_value_bool(root, "weight_windows_on");
   }
 
-  if (check_for_node(root, "max_splits")) {
-    settings::max_splits = std::stoi(get_node_value(root, "max_splits"));
+  if (check_for_node(root, "max_history_splits")) {
+    settings::max_history_splits =
+      std::stoi(get_node_value(root, "max_history_splits"));
   }
 
   if (check_for_node(root, "max_tracks")) {
diff --git a/src/weight_windows.cpp b/src/weight_windows.cpp
index 1ca83a2bd..2eb930965 100644
--- a/src/weight_windows.cpp
+++ b/src/weight_windows.cpp
@@ -102,7 +102,7 @@ void apply_weight_windows(Particle& p)
   // the window
   if (weight > weight_window.upper_weight) {
     // do not further split the particle if above the limit
-    if (p.n_split() >= settings::max_splits)
+    if (p.n_split() >= settings::max_history_splits)
       return;
 
     double n_split = std::ceil(weight / weight_window.upper_weight);
diff --git a/tests/regression_tests/weightwindows/generators/test.py b/tests/regression_tests/weightwindows/generators/test.py
index 1d516db8d..d6a40b44f 100644
--- a/tests/regression_tests/weightwindows/generators/test.py
+++ b/tests/regression_tests/weightwindows/generators/test.py
@@ -22,7 +22,7 @@ def test_ww_generator(run_in_tmpdir):
     model.settings.particles = 500
     model.settings.batches = 5
     model.settings.run_mode = 'fixed source'
-    model.settings.max_splits = 100
+    model.settings.max_history_splits = 100
 
     mesh = openmc.RegularMesh.from_domain(model.geometry.root_universe)
     energy_bounds = np.linspace(0.0, 1e6, 70)
diff --git a/tests/regression_tests/weightwindows/inputs_true.dat b/tests/regression_tests/weightwindows/inputs_true.dat
index c40f4b761..dcc41ae84 100644
--- a/tests/regression_tests/weightwindows/inputs_true.dat
+++ b/tests/regression_tests/weightwindows/inputs_true.dat
@@ -70,7 +70,7 @@
       <max_split>10</max_split>
       <weight_cutoff>1e-38</weight_cutoff>
     </weight_windows>
-    <max_splits>200</max_splits>
+    <max_history_splits>200</max_history_splits>
   </settings>
   <tallies>
     <mesh id="1">
diff --git a/tests/regression_tests/weightwindows/test.py b/tests/regression_tests/weightwindows/test.py
index 9ed855976..864f4f062 100644
--- a/tests/regression_tests/weightwindows/test.py
+++ b/tests/regression_tests/weightwindows/test.py
@@ -48,7 +48,7 @@ def model():
     settings.run_mode = 'fixed source'
     settings.particles = 200
     settings.batches = 2
-    settings.max_splits = 200
+    settings.max_history_splits = 200
     settings.photon_transport = True
     space = Point((0.001, 0.001, 0.001))
     energy = Discrete([14E6], [1.0])
diff --git a/tests/unit_tests/weightwindows/test.py b/tests/unit_tests/weightwindows/test.py
index 8af843cbd..d3da0cd11 100644
--- a/tests/unit_tests/weightwindows/test.py
+++ b/tests/unit_tests/weightwindows/test.py
@@ -94,7 +94,7 @@ def model():
     settings.run_mode = 'fixed source'
     settings.particles = 500
     settings.batches = 2
-    settings.max_splits = 100
+    settings.max_history_splits = 100
     settings.photon_transport = True
     space = Point((0.001, 0.001, 0.001))
     energy = Discrete([14E6], [1.0])
diff --git a/tests/unit_tests/weightwindows/test_ww_gen.py b/tests/unit_tests/weightwindows/test_ww_gen.py
index 072e332cb..6fc3747b1 100644
--- a/tests/unit_tests/weightwindows/test_ww_gen.py
+++ b/tests/unit_tests/weightwindows/test_ww_gen.py
@@ -55,7 +55,7 @@ def model():
         run_mode='fixed source',
         particles=100,
         batches=10,
-        max_splits=10,
+        max_history_splits=10,
         survival_biasing=False
     )
 

From b0732cb6b3754a2718b7c6c028f151e317a5174f Mon Sep 17 00:00:00 2001
From: Lorenzo Chierici <l.chierici89@gmail.com>
Date: Tue, 18 Jun 2024 13:31:07 +0200
Subject: [PATCH 2107/2654] add dagmc fill materials to homogenized materials
 method (#3026)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/mesh.py | 12 ++++++++++++
 1 file changed, 12 insertions(+)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 215c91923..5456abd1a 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -211,6 +211,18 @@ class MeshBase(IDManagerMixin, ABC):
 
         # Create homogenized material for each element
         materials = model.geometry.get_all_materials()
+
+        # Account for materials in DAGMC universes
+        # TODO: This should really get incorporated in lower-level calls to
+        # get_all_materials, but right now it requires information from the
+        # Model object
+        for cell in model.geometry.get_all_cells().values():
+            if isinstance(cell.fill, openmc.DAGMCUniverse):
+                names = cell.fill.material_names
+                materials.update({
+                    mat.id: mat for mat in model.materials if mat.name in names
+                })
+
         homogenized_materials = []
         for mat_volume_list in mat_volume_by_element:
             material_ids, volumes = [list(x) for x in zip(*mat_volume_list)]

From e33e66aa888453efaf43afcc94e7d6b2c74b1e7c Mon Sep 17 00:00:00 2001
From: pitkajuh <github_pj@protonmail.com>
Date: Tue, 18 Jun 2024 11:56:51 +0000
Subject: [PATCH 2108/2654] Fix #2994, non-existent path causes segmentation
 fault when saving plot  (#3038)

Co-authored-by: Patrick Shriwise <pshriwise@gmail.com>
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 src/plot.cpp                   |  5 +++++
 tests/unit_tests/test_plots.py | 25 ++++++++++++++++++++++++-
 2 files changed, 29 insertions(+), 1 deletion(-)

diff --git a/src/plot.cpp b/src/plot.cpp
index bf733cff4..f29653f80 100644
--- a/src/plot.cpp
+++ b/src/plot.cpp
@@ -315,6 +315,11 @@ void Plot::set_output_path(pugi::xml_node plot_node)
   } else {
     filename = fmt::format("plot_{}", id());
   }
+  const std::string dir_if_present =
+    filename.substr(0, filename.find_last_of("/") + 1);
+  if (dir_if_present.size() > 0 && !dir_exists(dir_if_present)) {
+    fatal_error(fmt::format("Directory '{}' does not exist!", dir_if_present));
+  }
   // add appropriate file extension to name
   switch (type_) {
   case PlotType::slice:
diff --git a/tests/unit_tests/test_plots.py b/tests/unit_tests/test_plots.py
index 922e4d9dc..a1e15016a 100644
--- a/tests/unit_tests/test_plots.py
+++ b/tests/unit_tests/test_plots.py
@@ -11,7 +11,7 @@ def myplot():
     plot.width = (100., 100.)
     plot.origin = (2., 3., -10.)
     plot.pixels = (500, 500)
-    plot.filename = 'myplot'
+    plot.filename = './not-a-dir/myplot'
     plot.type = 'slice'
     plot.basis = 'yz'
     plot.background = 'black'
@@ -221,3 +221,26 @@ def test_voxel_plot_roundtrip():
     assert new_plot.origin == plot.origin
     assert new_plot.width == plot.width
     assert new_plot.color_by == plot.color_by
+
+
+def test_plot_directory(run_in_tmpdir):
+    pwr_pin = openmc.examples.pwr_pin_cell()
+
+    # create a standard plot, expected to work
+    plot = openmc.Plot()
+    plot.filename = 'plot_1'
+    plot.type = 'slice'
+    plot.pixels = (10, 10)
+    plot.color_by = 'material'
+    plot.width = (100., 100.)
+    pwr_pin.plots = [plot]
+    pwr_pin.plot_geometry()
+
+    # use current directory, also expected to work
+    plot.filename = './plot_1'
+    pwr_pin.plot_geometry()
+
+    # use a non-existent directory, should raise an error
+    plot.filename = './not-a-dir/plot_1'
+    with pytest.raises(RuntimeError, match='does not exist'):
+        pwr_pin.plot_geometry()

From f6d3ee7a26b1c3eeb616425890259c5645afa718 Mon Sep 17 00:00:00 2001
From: ybadr16 <104090877+ybadr16@users.noreply.github.com>
Date: Wed, 19 Jun 2024 01:56:08 +0300
Subject: [PATCH 2109/2654] Update IsogonalOctagon to use xz basis and update
 tests (#3045)

---
 openmc/model/surface_composite.py          | 46 ++++++++++++++--------
 tests/unit_tests/test_surface_composite.py |  2 +-
 2 files changed, 31 insertions(+), 17 deletions(-)

diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index 1fa4234fb..7c134e843 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -233,7 +233,7 @@ class IsogonalOctagon(CompositeSurface):
     r"""Infinite isogonal octagon composite surface
 
     An isogonal octagon is composed of eight planar surfaces. The prism is
-    parallel to the x, y, or z axis. The remaining two axes (y and z, z and x,
+    parallel to the x, y, or z axis. The remaining two axes (y and z, x and z,
     or x and y) serve as a basis for constructing the surfaces. Two surfaces
     are parallel to the first basis axis, two surfaces are parallel
     to the second basis axis, and the remaining four surfaces intersect both
@@ -241,7 +241,7 @@ class IsogonalOctagon(CompositeSurface):
 
     This class acts as a proper surface, meaning that unary `+` and `-`
     operators applied to it will produce a half-space. The negative side is
-    defined to be the region inside of the octogonal prism.
+    defined to be the region inside of the octagonal prism.
 
     .. versionadded:: 0.13.1
 
@@ -249,7 +249,7 @@ class IsogonalOctagon(CompositeSurface):
     ----------
     center : iterable of float
         Coordinate for the central axis of the octagon in the
-        (y, z), (z, x), or (x, y) basis.
+        (y, z), (x, z), or (x, y) basis depending on the axis parameter.
     r1 : float
         Half-width of octagon across its basis axis-parallel sides in units
         of cm. Must be less than :math:`r_2\sqrt{2}`.
@@ -290,7 +290,7 @@ class IsogonalOctagon(CompositeSurface):
     def __init__(self, center, r1, r2, axis='z', **kwargs):
         c1, c2 = center
 
-        # Coords for axis-perpendicular planes
+        # Coordinates for axis-perpendicular planes
         cright = c1 + r1
         cleft = c1 - r1
 
@@ -307,7 +307,7 @@ class IsogonalOctagon(CompositeSurface):
 
         L_basis_ax = (r2 * sqrt(2) - r1)
 
-        # Coords for quadrant planes
+        # Coordinates for quadrant planes
         p1_ur = np.array([L_basis_ax, r1, 0.])
         p2_ur = np.array([r1, L_basis_ax, 0.])
         p3_ur = np.array([r1, L_basis_ax, 1.])
@@ -335,17 +335,18 @@ class IsogonalOctagon(CompositeSurface):
             self.right = openmc.XPlane(cright, **kwargs)
             self.left = openmc.XPlane(cleft, **kwargs)
         elif axis == 'y':
-            coord_map = [1, 2, 0]
-            self.top = openmc.XPlane(ctop, **kwargs)
-            self.bottom = openmc.XPlane(cbottom, **kwargs)
-            self.right = openmc.ZPlane(cright, **kwargs)
-            self.left = openmc.ZPlane(cleft, **kwargs)
+            coord_map = [0, 2, 1]
+            self.top = openmc.ZPlane(ctop, **kwargs)
+            self.bottom = openmc.ZPlane(cbottom, **kwargs)
+            self.right = openmc.XPlane(cright, **kwargs)
+            self.left = openmc.XPlane(cleft, **kwargs)
         elif axis == 'x':
             coord_map = [2, 0, 1]
             self.top = openmc.ZPlane(ctop, **kwargs)
             self.bottom = openmc.ZPlane(cbottom, **kwargs)
             self.right = openmc.YPlane(cright, **kwargs)
             self.left = openmc.YPlane(cleft, **kwargs)
+        self.axis = axis
 
         # Put our coordinates in (x,y,z) order and add the offset
         for p in points:
@@ -363,14 +364,27 @@ class IsogonalOctagon(CompositeSurface):
                                                    **kwargs)
 
     def __neg__(self):
-        return -self.top & +self.bottom & -self.right & +self.left & \
-            +self.upper_right & +self.lower_right & -self.lower_left & \
-            -self.upper_left
+        if self.axis == 'y':
+            region = -self.top & +self.bottom & -self.right & +self.left & \
+                -self.upper_right & -self.lower_right & +self.lower_left & \
+                +self.upper_left
+        else:
+            region = -self.top & +self.bottom & -self.right & +self.left & \
+                +self.upper_right & +self.lower_right & -self.lower_left & \
+                -self.upper_left
+
+        return region
 
     def __pos__(self):
-        return +self.top | -self.bottom | +self.right | -self.left | \
-            -self.upper_right | -self.lower_right | +self.lower_left | \
-            +self.upper_left
+        if self.axis == 'y':
+            region = +self.top | -self.bottom | +self.right | -self.left | \
+                +self.upper_right | +self.lower_right | -self.lower_left | \
+                -self.upper_left
+        else:
+            region = +self.top | -self.bottom | +self.right | -self.left | \
+                -self.upper_right | -self.lower_right | +self.lower_left | \
+                +self.upper_left
+        return region
 
 
 class RightCircularCylinder(CompositeSurface):
diff --git a/tests/unit_tests/test_surface_composite.py b/tests/unit_tests/test_surface_composite.py
index 62ec18b32..01c827223 100644
--- a/tests/unit_tests/test_surface_composite.py
+++ b/tests/unit_tests/test_surface_composite.py
@@ -255,7 +255,7 @@ def test_cylinder_sector_from_theta_alpha():
 @pytest.mark.parametrize(
     "axis, plane_tb, plane_lr, axis_idx", [
         ("x", "Z", "Y", 0),
-        ("y", "X", "Z", 1),
+        ("y", "Z", "X", 1),
         ("z", "Y", "X", 2),
     ]
 )

From 84f561c1ed561a85cbfb036bf791dafc72744a5c Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Wed, 19 Jun 2024 15:48:34 +0100
Subject: [PATCH 2110/2654] sets used instead of lists when membership testing
 (#3021)

---
 openmc/arithmetic.py       |  4 ++--
 openmc/data/photon.py      |  4 ++--
 openmc/mgxs_library.py     | 12 ++++--------
 openmc/plots.py            |  2 +-
 openmc/plotter.py          |  8 ++++----
 openmc/search.py           |  2 +-
 openmc/settings.py         |  2 +-
 openmc/stats/univariate.py |  4 ++--
 openmc/surface.py          |  4 ++--
 9 files changed, 19 insertions(+), 23 deletions(-)

diff --git a/openmc/arithmetic.py b/openmc/arithmetic.py
index 4520553da..821014e36 100644
--- a/openmc/arithmetic.py
+++ b/openmc/arithmetic.py
@@ -10,10 +10,10 @@ from .filter import _FILTER_TYPES
 
 
 # Acceptable tally arithmetic binary operations
-_TALLY_ARITHMETIC_OPS = ['+', '-', '*', '/', '^']
+_TALLY_ARITHMETIC_OPS = {'+', '-', '*', '/', '^'}
 
 # Acceptable tally aggregation operations
-_TALLY_AGGREGATE_OPS = ['sum', 'avg']
+_TALLY_AGGREGATE_OPS = {'sum', 'avg'}
 
 
 class CrossScore:
diff --git a/openmc/data/photon.py b/openmc/data/photon.py
index 0d0419f07..25ded24cb 100644
--- a/openmc/data/photon.py
+++ b/openmc/data/photon.py
@@ -28,10 +28,10 @@ CM_PER_ANGSTROM = 1.0e-8
 R0 = CM_PER_ANGSTROM * PLANCK_C / (2.0 * pi * FINE_STRUCTURE * MASS_ELECTRON_EV)
 
 # Electron subshell labels
-_SUBSHELLS = [None, 'K', 'L1', 'L2', 'L3', 'M1', 'M2', 'M3', 'M4', 'M5',
+_SUBSHELLS = (None, 'K', 'L1', 'L2', 'L3', 'M1', 'M2', 'M3', 'M4', 'M5',
               'N1', 'N2', 'N3', 'N4', 'N5', 'N6', 'N7', 'O1', 'O2', 'O3',
               'O4', 'O5', 'O6', 'O7', 'O8', 'O9', 'P1', 'P2', 'P3', 'P4',
-              'P5', 'P6', 'P7', 'P8', 'P9', 'P10', 'P11', 'Q1', 'Q2', 'Q3']
+              'P5', 'P6', 'P7', 'P8', 'P9', 'P10', 'P11', 'Q1', 'Q2', 'Q3')
 
 _REACTION_NAME = {
     501: ('Total photon interaction', 'total'),
diff --git a/openmc/mgxs_library.py b/openmc/mgxs_library.py
index d1b962890..3381c3abb 100644
--- a/openmc/mgxs_library.py
+++ b/openmc/mgxs_library.py
@@ -18,21 +18,17 @@ ROOM_TEMPERATURE_KELVIN = 294.0
 # Supported incoming particle MGXS angular treatment representations
 REPRESENTATION_ISOTROPIC = 'isotropic'
 REPRESENTATION_ANGLE = 'angle'
-_REPRESENTATIONS = [
+_REPRESENTATIONS = {
     REPRESENTATION_ISOTROPIC,
     REPRESENTATION_ANGLE
-]
+}
 
 # Supported scattering angular distribution representations
-_SCATTER_TYPES = [
+_SCATTER_TYPES = {
     SCATTER_TABULAR,
     SCATTER_LEGENDRE,
     SCATTER_HISTOGRAM
-]
-
-# List of MGXS indexing schemes
-_XS_SHAPES = ["[G][G'][Order]", "[G]", "[G']", "[G][G']", "[DG]", "[DG][G]",
-              "[DG][G']", "[DG][G][G']"]
+}
 
 # Number of mu points for conversion between scattering formats
 _NMU = 257
diff --git a/openmc/plots.py b/openmc/plots.py
index 02a44449b..0d9dca30e 100644
--- a/openmc/plots.py
+++ b/openmc/plots.py
@@ -14,7 +14,7 @@ from openmc.checkvalue import PathLike
 from ._xml import clean_indentation, get_elem_tuple, reorder_attributes, get_text
 from .mixin import IDManagerMixin
 
-_BASES = ['xy', 'xz', 'yz']
+_BASES = {'xy', 'xz', 'yz'}
 
 _SVG_COLORS = {
     'aliceblue': (240, 248, 255),
diff --git a/openmc/plotter.py b/openmc/plotter.py
index aa3825f5e..8a9a331d8 100644
--- a/openmc/plotter.py
+++ b/openmc/plotter.py
@@ -7,15 +7,15 @@ import openmc.checkvalue as cv
 import openmc.data
 
 # Supported keywords for continuous-energy cross section plotting
-PLOT_TYPES = ['total', 'scatter', 'elastic', 'inelastic', 'fission',
+PLOT_TYPES = {'total', 'scatter', 'elastic', 'inelastic', 'fission',
               'absorption', 'capture', 'nu-fission', 'nu-scatter', 'unity',
-              'slowing-down power', 'damage']
+              'slowing-down power', 'damage'}
 
 # Supported keywords for multi-group cross section plotting
-PLOT_TYPES_MGXS = ['total', 'absorption', 'scatter', 'fission',
+PLOT_TYPES_MGXS = {'total', 'absorption', 'scatter', 'fission',
                    'kappa-fission', 'nu-fission', 'prompt-nu-fission',
                    'deleyed-nu-fission', 'chi', 'chi-prompt', 'chi-delayed',
-                   'inverse-velocity', 'beta', 'decay-rate', 'unity']
+                   'inverse-velocity', 'beta', 'decay-rate', 'unity'}
 # Create a dictionary which can be used to convert PLOT_TYPES_MGXS to the
 # openmc.XSdata attribute name needed to access the data
 _PLOT_MGXS_ATTR = {line: line.replace(' ', '_').replace('-', '_')
diff --git a/openmc/search.py b/openmc/search.py
index 7f6b3b5b9..70ce011b6 100644
--- a/openmc/search.py
+++ b/openmc/search.py
@@ -8,7 +8,7 @@ import openmc.model
 import openmc.checkvalue as cv
 
 
-_SCALAR_BRACKETED_METHODS = ['brentq', 'brenth', 'ridder', 'bisect']
+_SCALAR_BRACKETED_METHODS = {'brentq', 'brenth', 'ridder', 'bisect'}
 
 
 def _search_keff(guess, target, model_builder, model_args, print_iterations,
diff --git a/openmc/settings.py b/openmc/settings.py
index 9565c2b78..43f763a19 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -26,7 +26,7 @@ class RunMode(Enum):
     PARTICLE_RESTART = 'particle restart'
 
 
-_RES_SCAT_METHODS = ['dbrc', 'rvs']
+_RES_SCAT_METHODS = {'dbrc', 'rvs'}
 
 
 class Settings:
diff --git a/openmc/stats/univariate.py b/openmc/stats/univariate.py
index f44bce67c..4069c5a9e 100644
--- a/openmc/stats/univariate.py
+++ b/openmc/stats/univariate.py
@@ -16,13 +16,13 @@ import openmc.checkvalue as cv
 from .._xml import get_text
 from ..mixin import EqualityMixin
 
-_INTERPOLATION_SCHEMES = [
+_INTERPOLATION_SCHEMES = {
     'histogram',
     'linear-linear',
     'linear-log',
     'log-linear',
     'log-log'
-]
+}
 
 
 class Univariate(EqualityMixin, ABC):
diff --git a/openmc/surface.py b/openmc/surface.py
index 806331024..0fa2ae439 100644
--- a/openmc/surface.py
+++ b/openmc/surface.py
@@ -14,8 +14,8 @@ from .region import Region, Intersection, Union
 from .bounding_box import BoundingBox
 
 
-_BOUNDARY_TYPES = ['transmission', 'vacuum', 'reflective', 'periodic', 'white']
-_ALBEDO_BOUNDARIES = ['reflective', 'periodic', 'white']
+_BOUNDARY_TYPES = {'transmission', 'vacuum', 'reflective', 'periodic', 'white'}
+_ALBEDO_BOUNDARIES = {'reflective', 'periodic', 'white'}
 
 _WARNING_UPPER = """\
 "{}(...) accepts an argument named '{}', not '{}'. Future versions of OpenMC \

From ddc9526966103a4dc28780f9cbc38dc942932445 Mon Sep 17 00:00:00 2001
From: Joffrey Dorville <54550047+JoffreyDorville@users.noreply.github.com>
Date: Wed, 19 Jun 2024 10:11:58 -0500
Subject: [PATCH 2111/2654] Storing surface source points using a cell ID
 (#2888)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 docs/source/io_formats/settings.rst           |   35 +-
 docs/source/usersguide/settings.rst           |   49 +-
 include/openmc/particle.h                     |    4 +-
 include/openmc/particle_data.h                |    8 +-
 include/openmc/settings.h                     |   12 +
 openmc/settings.py                            |   93 +-
 src/dagmc.cpp                                 |    4 +-
 src/particle.cpp                              |  163 ++-
 src/settings.cpp                              |   32 +-
 src/surface.cpp                               |    3 +-
 .../filter_cellfrom/__init__.py               |    0
 .../filter_cellfrom/inputs_true.dat           |  151 +++
 .../filter_cellfrom/results_true.dat          |   53 +
 .../regression_tests/filter_cellfrom/test.py  |  315 +++++
 tests/regression_tests/surface_source/test.py |    6 +-
 .../surface_source_write/__init__.py          |    0
 .../surface_source_write/_visualize.py        |   66 +
 .../case-01/inputs_true.dat                   |   54 +
 .../case-01/results_true.dat                  |    2 +
 .../case-01/surface_source_true.h5            |  Bin 0 -> 33344 bytes
 .../case-02/inputs_true.dat                   |   55 +
 .../case-02/results_true.dat                  |    2 +
 .../case-02/surface_source_true.h5            |  Bin 0 -> 12752 bytes
 .../case-03/inputs_true.dat                   |   55 +
 .../case-03/results_true.dat                  |    2 +
 .../case-03/surface_source_true.h5            |  Bin 0 -> 33344 bytes
 .../case-04/inputs_true.dat                   |   56 +
 .../case-04/results_true.dat                  |    2 +
 .../case-04/surface_source_true.h5            |  Bin 0 -> 33344 bytes
 .../case-05/inputs_true.dat                   |   56 +
 .../case-05/results_true.dat                  |    2 +
 .../case-05/surface_source_true.h5            |  Bin 0 -> 33344 bytes
 .../case-06/inputs_true.dat                   |   55 +
 .../case-06/results_true.dat                  |    2 +
 .../case-06/surface_source_true.h5            |  Bin 0 -> 33344 bytes
 .../case-07/inputs_true.dat                   |   55 +
 .../case-07/results_true.dat                  |    2 +
 .../case-07/surface_source_true.h5            |  Bin 0 -> 33344 bytes
 .../case-08/inputs_true.dat                   |   55 +
 .../case-08/results_true.dat                  |    2 +
 .../case-08/surface_source_true.h5            |  Bin 0 -> 33344 bytes
 .../case-09/inputs_true.dat                   |   55 +
 .../case-09/results_true.dat                  |    2 +
 .../case-09/surface_source_true.h5            |  Bin 0 -> 33344 bytes
 .../case-10/inputs_true.dat                   |   55 +
 .../case-10/results_true.dat                  |    2 +
 .../case-10/surface_source_true.h5            |  Bin 0 -> 33344 bytes
 .../case-11/inputs_true.dat                   |   55 +
 .../case-11/results_true.dat                  |    2 +
 .../case-11/surface_source_true.h5            |  Bin 0 -> 6408 bytes
 .../case-12/inputs_true.dat                   |   48 +
 .../case-12/results_true.dat                  |    2 +
 .../case-12/surface_source_true.h5            |  Bin 0 -> 33344 bytes
 .../case-13/inputs_true.dat                   |   49 +
 .../case-13/results_true.dat                  |    2 +
 .../case-13/surface_source_true.h5            |  Bin 0 -> 33344 bytes
 .../case-14/inputs_true.dat                   |   49 +
 .../case-14/results_true.dat                  |    2 +
 .../case-14/surface_source_true.h5            |  Bin 0 -> 33344 bytes
 .../case-15/inputs_true.dat                   |   49 +
 .../case-15/results_true.dat                  |    2 +
 .../case-15/surface_source_true.h5            |  Bin 0 -> 2144 bytes
 .../case-16/inputs_true.dat                   |   48 +
 .../case-16/results_true.dat                  |    2 +
 .../case-16/surface_source_true.h5            |  Bin 0 -> 33344 bytes
 .../case-17/inputs_true.dat                   |   49 +
 .../case-17/results_true.dat                  |    2 +
 .../case-17/surface_source_true.h5            |  Bin 0 -> 2144 bytes
 .../case-18/inputs_true.dat                   |   49 +
 .../case-18/results_true.dat                  |    2 +
 .../case-18/surface_source_true.h5            |  Bin 0 -> 2144 bytes
 .../case-19/inputs_true.dat                   |   49 +
 .../case-19/results_true.dat                  |    2 +
 .../case-19/surface_source_true.h5            |  Bin 0 -> 2144 bytes
 .../case-20/inputs_true.dat                   |   48 +
 .../case-20/results_true.dat                  |    2 +
 .../case-20/surface_source_true.h5            |  Bin 0 -> 33344 bytes
 .../case-21/inputs_true.dat                   |   49 +
 .../case-21/results_true.dat                  |    2 +
 .../case-21/surface_source_true.h5            |  Bin 0 -> 2144 bytes
 .../case-a01/inputs_true.dat                  |   56 +
 .../case-a01/results_true.dat                 |    2 +
 .../case-a01/surface_source_true.h5           |  Bin 0 -> 6616 bytes
 .../case-d01/inputs_true.dat                  |   33 +
 .../case-d01/results_true.dat                 |    2 +
 .../case-d01/surface_source_true.h5           |  Bin 0 -> 33344 bytes
 .../case-d02/inputs_true.dat                  |   34 +
 .../case-d02/results_true.dat                 |    2 +
 .../case-d02/surface_source_true.h5           |  Bin 0 -> 31472 bytes
 .../case-d03/inputs_true.dat                  |   34 +
 .../case-d03/results_true.dat                 |    2 +
 .../case-d03/surface_source_true.h5           |  Bin 0 -> 33344 bytes
 .../case-d04/inputs_true.dat                  |   35 +
 .../case-d04/results_true.dat                 |    2 +
 .../case-d04/surface_source_true.h5           |  Bin 0 -> 31472 bytes
 .../case-d05/inputs_true.dat                  |   34 +
 .../case-d05/results_true.dat                 |    2 +
 .../case-d05/surface_source_true.h5           |  Bin 0 -> 33344 bytes
 .../case-d06/inputs_true.dat                  |   34 +
 .../case-d06/results_true.dat                 |    2 +
 .../case-d06/surface_source_true.h5           |  Bin 0 -> 29496 bytes
 .../case-d07/inputs_true.dat                  |   49 +
 .../case-d07/results_true.dat                 |    2 +
 .../case-d07/surface_source_true.h5           |  Bin 0 -> 33344 bytes
 .../case-d08/inputs_true.dat                  |   49 +
 .../case-d08/results_true.dat                 |    2 +
 .../case-d08/surface_source_true.h5           |  Bin 0 -> 33344 bytes
 .../case-e01/inputs_true.dat                  |   56 +
 .../case-e01/results_true.dat                 |    2 +
 .../case-e01/surface_source_true.h5           |  Bin 0 -> 33344 bytes
 .../case-e02/inputs_true.dat                  |   55 +
 .../case-e02/results_true.dat                 |    2 +
 .../case-e02/surface_source_true.h5           |  Bin 0 -> 33344 bytes
 .../case-e03/inputs_true.dat                  |   49 +
 .../case-e03/results_true.dat                 |    2 +
 .../case-e03/surface_source_true.h5           |  Bin 0 -> 33344 bytes
 .../surface_source_write/test.py              | 1126 +++++++++++++++++
 tests/unit_tests/test_surface_source_write.py |  248 ++++
 .../unit_tests/test_tally_multiply_density.py |    2 +-
 tests/unit_tests/weightwindows/test_ww_gen.py |    2 +-
 120 files changed, 3963 insertions(+), 86 deletions(-)
 create mode 100644 tests/regression_tests/filter_cellfrom/__init__.py
 create mode 100644 tests/regression_tests/filter_cellfrom/inputs_true.dat
 create mode 100644 tests/regression_tests/filter_cellfrom/results_true.dat
 create mode 100644 tests/regression_tests/filter_cellfrom/test.py
 create mode 100644 tests/regression_tests/surface_source_write/__init__.py
 create mode 100644 tests/regression_tests/surface_source_write/_visualize.py
 create mode 100644 tests/regression_tests/surface_source_write/case-01/inputs_true.dat
 create mode 100644 tests/regression_tests/surface_source_write/case-01/results_true.dat
 create mode 100644 tests/regression_tests/surface_source_write/case-01/surface_source_true.h5
 create mode 100644 tests/regression_tests/surface_source_write/case-02/inputs_true.dat
 create mode 100644 tests/regression_tests/surface_source_write/case-02/results_true.dat
 create mode 100644 tests/regression_tests/surface_source_write/case-02/surface_source_true.h5
 create mode 100644 tests/regression_tests/surface_source_write/case-03/inputs_true.dat
 create mode 100644 tests/regression_tests/surface_source_write/case-03/results_true.dat
 create mode 100644 tests/regression_tests/surface_source_write/case-03/surface_source_true.h5
 create mode 100644 tests/regression_tests/surface_source_write/case-04/inputs_true.dat
 create mode 100644 tests/regression_tests/surface_source_write/case-04/results_true.dat
 create mode 100644 tests/regression_tests/surface_source_write/case-04/surface_source_true.h5
 create mode 100644 tests/regression_tests/surface_source_write/case-05/inputs_true.dat
 create mode 100644 tests/regression_tests/surface_source_write/case-05/results_true.dat
 create mode 100644 tests/regression_tests/surface_source_write/case-05/surface_source_true.h5
 create mode 100644 tests/regression_tests/surface_source_write/case-06/inputs_true.dat
 create mode 100644 tests/regression_tests/surface_source_write/case-06/results_true.dat
 create mode 100644 tests/regression_tests/surface_source_write/case-06/surface_source_true.h5
 create mode 100644 tests/regression_tests/surface_source_write/case-07/inputs_true.dat
 create mode 100644 tests/regression_tests/surface_source_write/case-07/results_true.dat
 create mode 100644 tests/regression_tests/surface_source_write/case-07/surface_source_true.h5
 create mode 100644 tests/regression_tests/surface_source_write/case-08/inputs_true.dat
 create mode 100644 tests/regression_tests/surface_source_write/case-08/results_true.dat
 create mode 100644 tests/regression_tests/surface_source_write/case-08/surface_source_true.h5
 create mode 100644 tests/regression_tests/surface_source_write/case-09/inputs_true.dat
 create mode 100644 tests/regression_tests/surface_source_write/case-09/results_true.dat
 create mode 100644 tests/regression_tests/surface_source_write/case-09/surface_source_true.h5
 create mode 100644 tests/regression_tests/surface_source_write/case-10/inputs_true.dat
 create mode 100644 tests/regression_tests/surface_source_write/case-10/results_true.dat
 create mode 100644 tests/regression_tests/surface_source_write/case-10/surface_source_true.h5
 create mode 100644 tests/regression_tests/surface_source_write/case-11/inputs_true.dat
 create mode 100644 tests/regression_tests/surface_source_write/case-11/results_true.dat
 create mode 100644 tests/regression_tests/surface_source_write/case-11/surface_source_true.h5
 create mode 100644 tests/regression_tests/surface_source_write/case-12/inputs_true.dat
 create mode 100644 tests/regression_tests/surface_source_write/case-12/results_true.dat
 create mode 100644 tests/regression_tests/surface_source_write/case-12/surface_source_true.h5
 create mode 100644 tests/regression_tests/surface_source_write/case-13/inputs_true.dat
 create mode 100644 tests/regression_tests/surface_source_write/case-13/results_true.dat
 create mode 100644 tests/regression_tests/surface_source_write/case-13/surface_source_true.h5
 create mode 100644 tests/regression_tests/surface_source_write/case-14/inputs_true.dat
 create mode 100644 tests/regression_tests/surface_source_write/case-14/results_true.dat
 create mode 100644 tests/regression_tests/surface_source_write/case-14/surface_source_true.h5
 create mode 100644 tests/regression_tests/surface_source_write/case-15/inputs_true.dat
 create mode 100644 tests/regression_tests/surface_source_write/case-15/results_true.dat
 create mode 100644 tests/regression_tests/surface_source_write/case-15/surface_source_true.h5
 create mode 100644 tests/regression_tests/surface_source_write/case-16/inputs_true.dat
 create mode 100644 tests/regression_tests/surface_source_write/case-16/results_true.dat
 create mode 100644 tests/regression_tests/surface_source_write/case-16/surface_source_true.h5
 create mode 100644 tests/regression_tests/surface_source_write/case-17/inputs_true.dat
 create mode 100644 tests/regression_tests/surface_source_write/case-17/results_true.dat
 create mode 100644 tests/regression_tests/surface_source_write/case-17/surface_source_true.h5
 create mode 100644 tests/regression_tests/surface_source_write/case-18/inputs_true.dat
 create mode 100644 tests/regression_tests/surface_source_write/case-18/results_true.dat
 create mode 100644 tests/regression_tests/surface_source_write/case-18/surface_source_true.h5
 create mode 100644 tests/regression_tests/surface_source_write/case-19/inputs_true.dat
 create mode 100644 tests/regression_tests/surface_source_write/case-19/results_true.dat
 create mode 100644 tests/regression_tests/surface_source_write/case-19/surface_source_true.h5
 create mode 100644 tests/regression_tests/surface_source_write/case-20/inputs_true.dat
 create mode 100644 tests/regression_tests/surface_source_write/case-20/results_true.dat
 create mode 100644 tests/regression_tests/surface_source_write/case-20/surface_source_true.h5
 create mode 100644 tests/regression_tests/surface_source_write/case-21/inputs_true.dat
 create mode 100644 tests/regression_tests/surface_source_write/case-21/results_true.dat
 create mode 100644 tests/regression_tests/surface_source_write/case-21/surface_source_true.h5
 create mode 100644 tests/regression_tests/surface_source_write/case-a01/inputs_true.dat
 create mode 100644 tests/regression_tests/surface_source_write/case-a01/results_true.dat
 create mode 100644 tests/regression_tests/surface_source_write/case-a01/surface_source_true.h5
 create mode 100644 tests/regression_tests/surface_source_write/case-d01/inputs_true.dat
 create mode 100644 tests/regression_tests/surface_source_write/case-d01/results_true.dat
 create mode 100644 tests/regression_tests/surface_source_write/case-d01/surface_source_true.h5
 create mode 100644 tests/regression_tests/surface_source_write/case-d02/inputs_true.dat
 create mode 100644 tests/regression_tests/surface_source_write/case-d02/results_true.dat
 create mode 100644 tests/regression_tests/surface_source_write/case-d02/surface_source_true.h5
 create mode 100644 tests/regression_tests/surface_source_write/case-d03/inputs_true.dat
 create mode 100644 tests/regression_tests/surface_source_write/case-d03/results_true.dat
 create mode 100644 tests/regression_tests/surface_source_write/case-d03/surface_source_true.h5
 create mode 100644 tests/regression_tests/surface_source_write/case-d04/inputs_true.dat
 create mode 100644 tests/regression_tests/surface_source_write/case-d04/results_true.dat
 create mode 100644 tests/regression_tests/surface_source_write/case-d04/surface_source_true.h5
 create mode 100644 tests/regression_tests/surface_source_write/case-d05/inputs_true.dat
 create mode 100644 tests/regression_tests/surface_source_write/case-d05/results_true.dat
 create mode 100644 tests/regression_tests/surface_source_write/case-d05/surface_source_true.h5
 create mode 100644 tests/regression_tests/surface_source_write/case-d06/inputs_true.dat
 create mode 100644 tests/regression_tests/surface_source_write/case-d06/results_true.dat
 create mode 100644 tests/regression_tests/surface_source_write/case-d06/surface_source_true.h5
 create mode 100644 tests/regression_tests/surface_source_write/case-d07/inputs_true.dat
 create mode 100644 tests/regression_tests/surface_source_write/case-d07/results_true.dat
 create mode 100644 tests/regression_tests/surface_source_write/case-d07/surface_source_true.h5
 create mode 100644 tests/regression_tests/surface_source_write/case-d08/inputs_true.dat
 create mode 100644 tests/regression_tests/surface_source_write/case-d08/results_true.dat
 create mode 100644 tests/regression_tests/surface_source_write/case-d08/surface_source_true.h5
 create mode 100644 tests/regression_tests/surface_source_write/case-e01/inputs_true.dat
 create mode 100644 tests/regression_tests/surface_source_write/case-e01/results_true.dat
 create mode 100644 tests/regression_tests/surface_source_write/case-e01/surface_source_true.h5
 create mode 100644 tests/regression_tests/surface_source_write/case-e02/inputs_true.dat
 create mode 100644 tests/regression_tests/surface_source_write/case-e02/results_true.dat
 create mode 100644 tests/regression_tests/surface_source_write/case-e02/surface_source_true.h5
 create mode 100644 tests/regression_tests/surface_source_write/case-e03/inputs_true.dat
 create mode 100644 tests/regression_tests/surface_source_write/case-e03/results_true.dat
 create mode 100644 tests/regression_tests/surface_source_write/case-e03/surface_source_true.h5
 create mode 100644 tests/regression_tests/surface_source_write/test.py
 create mode 100644 tests/unit_tests/test_surface_source_write.py

diff --git a/docs/source/io_formats/settings.rst b/docs/source/io_formats/settings.rst
index 6e9a7f2ab..915f698b6 100644
--- a/docs/source/io_formats/settings.rst
+++ b/docs/source/io_formats/settings.rst
@@ -902,7 +902,12 @@ attributes/sub-elements:
 
 The ``<surf_source_write>`` element triggers OpenMC to bank particles crossing
 certain surfaces and write out the source bank in a separate file called
-``surface_source.h5``. This element has the following attributes/sub-elements:
+``surface_source.h5``. One or multiple surface IDs and one cell ID can be used
+to select the surfaces of interest. If no surface IDs are declared, every surface
+of the model is eligible to bank particles. In that case, a cell ID (using
+either the ``cell``, ``cellfrom`` or ``cellto`` attributes) can be used to select
+every surface of a specific cell. This element has the following
+attributes/sub-elements:
 
   :surface_ids:
     A list of integers separated by spaces indicating the unique IDs of surfaces
@@ -928,6 +933,34 @@ certain surfaces and write out the source bank in a separate file called
 
     .. _MCPL: https://mctools.github.io/mcpl/mcpl.pdf
 
+  :cell:
+    An integer representing the cell ID used to determine if particles crossing
+    identified surfaces are to be banked. Particles coming from or going to this
+    declared cell will be banked if they cross the identified surfaces.
+
+    *Default*: None
+
+  :cellfrom:
+    An integer representing the cell ID used to determine if particles crossing
+    identified surfaces are to be banked. Particles coming from this declared
+    cell will be banked if they cross the identified surfaces.
+
+    *Default*: None
+
+  :cellto:
+    An integer representing the cell ID used to determine if particles crossing
+    identified surfaces are to be banked. Particles going to this declared cell
+    will be banked if they cross the identified surfaces.
+
+    *Default*: None
+
+.. note:: The ``cell``, ``cellfrom`` and ``cellto`` attributes cannot be
+          used simultaneously.
+
+.. note:: Surfaces with boundary conditions that are not "transmission" or "vacuum"
+          are not eligible to store any particles when using ``cell``, ``cellfrom``
+          or ``cellto`` attributes. It is recommended to use surface IDs instead.
+
 ------------------------------
 ``<survival_biasing>`` Element
 ------------------------------
diff --git a/docs/source/usersguide/settings.rst b/docs/source/usersguide/settings.rst
index eb02f654c..d73d90cbb 100644
--- a/docs/source/usersguide/settings.rst
+++ b/docs/source/usersguide/settings.rst
@@ -277,6 +277,9 @@ source file can be manually generated with the :func:`openmc.write_source_file`
 function. This is particularly useful for coupling OpenMC with another program
 that generates a source to be used in OpenMC.
 
+Surface Sources
++++++++++++++++
+
 A source file based on particles that cross one or more surfaces can be
 generated during a simulation using the :attr:`Settings.surf_source_write`
 attribute::
@@ -287,7 +290,51 @@ attribute::
   }
 
 In this example, at most 10,000 source particles are stored when particles cross
-surfaces with IDs of 1, 2, or 3.
+surfaces with IDs of 1, 2, or 3. If no surface IDs are declared, particles
+crossing any surface of the model will be banked::
+
+  settings.surf_source_write = {'max_particles': 10000}
+
+A cell ID can also be used to bank particles that are crossing any surface of
+a cell that particles are either coming from or going to::
+
+  settings.surf_source_write = {'cell': 1, 'max_particles': 10000}
+
+In this example, particles that are crossing any surface that bounds cell 1 will
+be banked excluding any surface that does not use a 'transmission' or 'vacuum'
+boundary condition.
+
+.. note:: Surfaces with boundary conditions that are not "transmission" or "vacuum"
+          are not eligible to store any particles when using ``cell``, ``cellfrom``
+          or ``cellto`` attributes. It is recommended to use surface IDs instead.
+
+Surface IDs can be used in combination with a cell ID::
+
+  settings.surf_source_write = {
+      'cell': 1,
+      'surfaces_ids': [1, 2, 3],
+      'max_particles': 10000
+  }
+
+In that case, only particles that are crossing the declared surfaces coming from
+cell 1 or going to cell 1 will be banked. To account specifically for particles
+leaving or entering a given cell, ``cellfrom`` and ``cellto`` are also available
+to respectively account for particles coming from a cell::
+
+  settings.surf_source_write = {
+      'cellfrom': 1,
+      'max_particles': 10000
+  }
+
+or particles going to a cell::
+
+  settings.surf_source_write = {
+      'cellto': 1,
+      'max_particles': 10000
+  }
+
+.. note:: The ``cell``, ``cellfrom`` and ``cellto`` attributes cannot be
+          used simultaneously.
 
 .. _compiled_source:
 
diff --git a/include/openmc/particle.h b/include/openmc/particle.h
index e423880f8..6a2e67049 100644
--- a/include/openmc/particle.h
+++ b/include/openmc/particle.h
@@ -74,7 +74,7 @@ public:
   void pht_secondary_particles();
 
   //! Cross a surface and handle boundary conditions
-  void cross_surface();
+  void cross_surface(const Surface& surf);
 
   //! Cross a vacuum boundary condition.
   //
@@ -127,6 +127,8 @@ std::string particle_type_to_str(ParticleType type);
 
 ParticleType str_to_particle_type(std::string str);
 
+void add_surf_source_to_bank(Particle& p, const Surface& surf);
+
 } // namespace openmc
 
 #endif // OPENMC_PARTICLE_H
diff --git a/include/openmc/particle_data.h b/include/openmc/particle_data.h
index 5c765e2e6..164148cce 100644
--- a/include/openmc/particle_data.h
+++ b/include/openmc/particle_data.h
@@ -211,9 +211,15 @@ public:
   // resets all coordinate levels for the particle
   void clear()
   {
-    for (auto& level : coord_)
+    for (auto& level : coord_) {
       level.reset();
+    }
     n_coord_ = 1;
+
+    for (auto& cell : cell_last_) {
+      cell = C_NONE;
+    }
+    n_coord_last_ = 1;
   }
 
   // Initialize all internal state from position and direction
diff --git a/include/openmc/settings.h b/include/openmc/settings.h
index df4a54a6f..a95f1ced9 100644
--- a/include/openmc/settings.h
+++ b/include/openmc/settings.h
@@ -16,6 +16,14 @@
 
 namespace openmc {
 
+// Type of surface source write
+enum class SSWCellType {
+  None,
+  Both,
+  From,
+  To,
+};
+
 //==============================================================================
 // Global variable declarations
 //==============================================================================
@@ -125,6 +133,10 @@ extern int
   max_history_splits; //!< maximum number of particle splits for weight windows
 extern int64_t max_surface_particles; //!< maximum number of particles to be
                                       //!< banked on surfaces per process
+extern int64_t ssw_cell_id;           //!< Cell id for the surface source
+                                      //!< write setting
+extern SSWCellType ssw_cell_type;     //!< Type of option for the cell
+                                      //!< argument of surface source write
 extern TemperatureMethod
   temperature_method; //!< method for choosing temperatures
 extern double
diff --git a/openmc/settings.py b/openmc/settings.py
index 43f763a19..80d766ab1 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -201,6 +201,15 @@ class Settings:
         :max_particles: Maximum number of particles to be banked on surfaces per
                    process (int)
         :mcpl: Output in the form of an MCPL-file (bool)
+        :cell: Cell ID used to determine if particles crossing identified
+               surfaces are to be banked. Particles coming from or going to this
+               declared cell will be banked (int)
+        :cellfrom: Cell ID used to determine if particles crossing identified
+                   surfaces are to be banked. Particles coming from this
+                   declared cell will be banked (int)
+        :cellto: Cell ID used to determine if particles crossing identified
+                 surfaces are to be banked. Particles going to this declared
+                 cell will be banked (int)
     survival_biasing : bool
         Indicate whether survival biasing is to be used
     tabular_legendre : dict
@@ -693,23 +702,30 @@ class Settings:
 
     @surf_source_write.setter
     def surf_source_write(self, surf_source_write: dict):
-        cv.check_type('surface source writing options', surf_source_write, Mapping)
+        cv.check_type("surface source writing options", surf_source_write, Mapping)
         for key, value in surf_source_write.items():
-            cv.check_value('surface source writing key', key,
-                           ('surface_ids', 'max_particles', 'mcpl'))
-            if key == 'surface_ids':
-                cv.check_type('surface ids for source banking', value,
-                              Iterable, Integral)
+            cv.check_value(
+                "surface source writing key",
+                key,
+                ("surface_ids", "max_particles", "mcpl", "cell", "cellfrom", "cellto"),
+            )
+            if key == "surface_ids":
+                cv.check_type(
+                    "surface ids for source banking", value, Iterable, Integral
+                )
                 for surf_id in value:
-                    cv.check_greater_than('surface id for source banking',
-                                          surf_id, 0)
-            elif key == 'max_particles':
-                cv.check_type('maximum particle banks on surfaces per process',
-                              value, Integral)
-                cv.check_greater_than('maximum particle banks on surfaces per process',
-                                      value, 0)
-            elif key == 'mcpl':
-                cv.check_type('write to an MCPL-format file', value, bool)
+                    cv.check_greater_than("surface id for source banking", surf_id, 0)
+            elif key == "mcpl":
+                cv.check_type("write to an MCPL-format file", value, bool)
+            elif key in ("max_particles", "cell", "cellfrom", "cellto"):
+                name = {
+                    "max_particles": "maximum particle banks on surfaces per process",
+                    "cell": "Cell ID for source banking (from or to)",
+                    "cellfrom": "Cell ID for source banking (from only)",
+                    "cellto": "Cell ID for source banking (to only)",
+                }[key]
+                cv.check_type(name, value, Integral)
+                cv.check_greater_than(name, value, 0)
 
         self._surf_source_write = surf_source_write
 
@@ -1207,16 +1223,18 @@ class Settings:
     def _create_surf_source_write_subelement(self, root):
         if self._surf_source_write:
             element = ET.SubElement(root, "surf_source_write")
-            if 'surface_ids' in self._surf_source_write:
+            if "surface_ids" in self._surf_source_write:
                 subelement = ET.SubElement(element, "surface_ids")
-                subelement.text = ' '.join(
-                    str(x) for x in self._surf_source_write['surface_ids'])
-            if 'max_particles' in self._surf_source_write:
-                subelement = ET.SubElement(element, "max_particles")
-                subelement.text = str(self._surf_source_write['max_particles'])
-            if 'mcpl' in self._surf_source_write:
+                subelement.text = " ".join(
+                    str(x) for x in self._surf_source_write["surface_ids"]
+                )
+            if "mcpl" in self._surf_source_write:
                 subelement = ET.SubElement(element, "mcpl")
-                subelement.text = str(self._surf_source_write['mcpl']).lower()
+                subelement.text = str(self._surf_source_write["mcpl"]).lower()
+            for key in ("max_particles", "cell", "cellfrom", "cellto"):
+                if key in self._surf_source_write:
+                    subelement = ET.SubElement(element, key)
+                    subelement.text = str(self._surf_source_write[key])
 
     def _create_confidence_intervals(self, root):
         if self._confidence_intervals is not None:
@@ -1381,9 +1399,9 @@ class Settings:
             elem.text = str(self._create_fission_neutrons).lower()
 
     def _create_create_delayed_neutrons_subelement(self, root):
-       if self._create_delayed_neutrons is not None:
-           elem = ET.SubElement(root, "create_delayed_neutrons")
-           elem.text = str(self._create_delayed_neutrons).lower()
+        if self._create_delayed_neutrons is not None:
+            elem = ET.SubElement(root, "create_delayed_neutrons")
+            elem.text = str(self._create_delayed_neutrons).lower()
 
     def _create_delayed_photon_scaling_subelement(self, root):
         if self._delayed_photon_scaling is not None:
@@ -1610,17 +1628,18 @@ class Settings:
 
     def _surf_source_write_from_xml_element(self, root):
         elem = root.find('surf_source_write')
-        if elem is not None:
-            for key in ('surface_ids', 'max_particles','mcpl'):
-                value = get_text(elem, key)
-                if value is not None:
-                    if key == 'surface_ids':
-                        value = [int(x) for x in value.split()]
-                    elif key in ('max_particles'):
-                        value = int(value)
-                    elif key == 'mcpl':
-                        value = value in ('true', '1')
-                    self.surf_source_write[key] = value
+        if elem is None:
+            return
+        for key in ('surface_ids', 'max_particles', 'mcpl', 'cell', 'cellto', 'cellfrom'):
+            value = get_text(elem, key)
+            if value is not None:
+                if key == 'surface_ids':
+                    value = [int(x) for x in value.split()]
+                elif key == 'mcpl':
+                    value = value in ('true', '1')
+                elif key in ('max_particles', 'cell', 'cellfrom', 'cellto'):
+                    value = int(value)
+                self.surf_source_write[key] = value
 
     def _confidence_intervals_from_xml_element(self, root):
         text = get_text(root, 'confidence_intervals')
diff --git a/src/dagmc.cpp b/src/dagmc.cpp
index 2f2502f6e..a29a2589f 100644
--- a/src/dagmc.cpp
+++ b/src/dagmc.cpp
@@ -271,8 +271,10 @@ void DAGUniverse::init_geometry()
                                   : dagmc_instance_->id_by_index(2, i + 1);
 
     // set surface source attribute if needed
-    if (contains(settings::source_write_surf_id, s->id_))
+    if (contains(settings::source_write_surf_id, s->id_) ||
+        settings::source_write_surf_id.empty()) {
       s->surf_source_ = true;
+    }
 
     // set BCs
     std::string bc_value =
diff --git a/src/particle.cpp b/src/particle.cpp
index a91113c61..0c6a33b78 100644
--- a/src/particle.cpp
+++ b/src/particle.cpp
@@ -168,6 +168,12 @@ void Particle::event_calculate_xs()
     // Set birth cell attribute
     if (cell_born() == C_NONE)
       cell_born() = lowest_coord().cell;
+
+    // Initialize last cells from current cell
+    for (int j = 0; j < n_coord(); ++j) {
+      cell_last(j) = coord(j).cell;
+    }
+    n_coord_last() = n_coord();
   }
 
   // Write particle track.
@@ -264,16 +270,16 @@ void Particle::event_advance()
 
 void Particle::event_cross_surface()
 {
-  // Set surface that particle is on and adjust coordinate levels
-  surface() = boundary().surface_index;
-  n_coord() = boundary().coord_level;
-
   // Saving previous cell data
   for (int j = 0; j < n_coord(); ++j) {
     cell_last(j) = coord(j).cell;
   }
   n_coord_last() = n_coord();
 
+  // Set surface that particle is on and adjust coordinate levels
+  surface() = boundary().surface_index;
+  n_coord() = boundary().coord_level;
+
   if (boundary().lattice_translation[0] != 0 ||
       boundary().lattice_translation[1] != 0 ||
       boundary().lattice_translation[2] != 0) {
@@ -284,7 +290,17 @@ void Particle::event_cross_surface()
     event() = TallyEvent::LATTICE;
   } else {
     // Particle crosses surface
-    cross_surface();
+    // TODO: off-by-one
+    const auto& surf {model::surfaces[std::abs(surface()) - 1].get()};
+    // If BC, add particle to surface source before crossing surface
+    if (surf->surf_source_ && surf->bc_) {
+      add_surf_source_to_bank(*this, *surf);
+    }
+    cross_surface(*surf);
+    // If no BC, add particle to surface source after crossing surface
+    if (surf->surf_source_ && !surf->bc_) {
+      add_surf_source_to_bank(*this, *surf);
+    }
     if (settings::weight_window_checkpoint_surface) {
       apply_weight_windows(*this);
     }
@@ -418,6 +434,12 @@ void Particle::event_revive_from_secondary()
         // Set birth cell attribute
         if (cell_born() == C_NONE)
           cell_born() = lowest_coord().cell;
+
+        // Initialize last cells from current cell
+        for (int j = 0; j < n_coord(); ++j) {
+          cell_last(j) = coord(j).cell;
+        }
+        n_coord_last() = n_coord();
       }
       pht_secondary_particles();
     }
@@ -502,40 +524,22 @@ void Particle::pht_secondary_particles()
   }
 }
 
-void Particle::cross_surface()
+void Particle::cross_surface(const Surface& surf)
 {
-  int i_surface = std::abs(surface());
-  // TODO: off-by-one
-  const auto& surf {model::surfaces[i_surface - 1].get()};
-  if (settings::verbosity >= 10 || trace()) {
-    write_message(1, "    Crossing surface {}", surf->id_);
-  }
 
-  if (surf->surf_source_ && simulation::current_batch > settings::n_inactive &&
-      !simulation::surf_source_bank.full()) {
-    SourceSite site;
-    site.r = r();
-    site.u = u();
-    site.E = E();
-    site.time = time();
-    site.wgt = wgt();
-    site.delayed_group = delayed_group();
-    site.surf_id = surf->id_;
-    site.particle = type();
-    site.parent_id = id();
-    site.progeny_id = n_progeny();
-    int64_t idx = simulation::surf_source_bank.thread_safe_append(site);
+  if (settings::verbosity >= 10 || trace()) {
+    write_message(1, "    Crossing surface {}", surf.id_);
   }
 
 // if we're crossing a CSG surface, make sure the DAG history is reset
 #ifdef DAGMC
-  if (surf->geom_type_ == GeometryType::CSG)
+  if (surf.geom_type_ == GeometryType::CSG)
     history().reset();
 #endif
 
   // Handle any applicable boundary conditions.
-  if (surf->bc_ && settings::run_mode != RunMode::PLOTTING) {
-    surf->bc_->handle_particle(*this, *surf);
+  if (surf.bc_ && settings::run_mode != RunMode::PLOTTING) {
+    surf.bc_->handle_particle(*this, surf);
     return;
   }
 
@@ -544,10 +548,10 @@ void Particle::cross_surface()
 
 #ifdef DAGMC
   // in DAGMC, we know what the next cell should be
-  if (surf->geom_type_ == GeometryType::DAG) {
-    int32_t i_cell =
-      next_cell(i_surface, cell_last(n_coord() - 1), lowest_coord().universe) -
-      1;
+  if (surf.geom_type_ == GeometryType::DAG) {
+    int32_t i_cell = next_cell(std::abs(surface()), cell_last(n_coord() - 1),
+                       lowest_coord().universe) -
+                     1;
     // save material and temp
     material_last() = material();
     sqrtkT_last() = sqrtkT();
@@ -561,8 +565,9 @@ void Particle::cross_surface()
 #endif
 
   bool verbose = settings::verbosity >= 10 || trace();
-  if (neighbor_list_find_cell(*this, verbose))
+  if (neighbor_list_find_cell(*this, verbose)) {
     return;
+  }
 
   // ==========================================================================
   // COULDN'T FIND PARTICLE IN NEIGHBORING CELLS, SEARCH ALL CELLS
@@ -586,7 +591,7 @@ void Particle::cross_surface()
 
     if (!exhaustive_find_cell(*this, verbose)) {
       mark_as_lost("After particle " + std::to_string(id()) +
-                   " crossed surface " + std::to_string(surf->id_) +
+                   " crossed surface " + std::to_string(surf.id_) +
                    " it could not be located in any cell and it did not leak.");
       return;
     }
@@ -650,7 +655,7 @@ void Particle::cross_reflective_bc(const Surface& surf, Direction new_u)
   u() = new_u;
 
   // Reassign particle's cell and surface
-  coord(0).cell = cell_last(n_coord_last() - 1);
+  coord(0).cell = cell_last(0);
   surface() = -surface();
 
   // If a reflective surface is coincident with a lattice or universe
@@ -873,4 +878,90 @@ ParticleType str_to_particle_type(std::string str)
   }
 }
 
+void add_surf_source_to_bank(Particle& p, const Surface& surf)
+{
+  if (simulation::current_batch <= settings::n_inactive ||
+      simulation::surf_source_bank.full()) {
+    return;
+  }
+
+  // If a cell/cellfrom/cellto parameter is defined
+  if (settings::ssw_cell_id != C_NONE) {
+
+    // Retrieve cell index and storage type
+    int cell_idx = model::cell_map[settings::ssw_cell_id];
+
+    if (surf.bc_) {
+      // Leave if cellto with vacuum boundary condition
+      if (surf.bc_->type() == "vacuum" &&
+          settings::ssw_cell_type == SSWCellType::To) {
+        return;
+      }
+
+      // Leave if other boundary condition than vacuum
+      if (surf.bc_->type() != "vacuum") {
+        return;
+      }
+    }
+
+    // Check if the cell of interest has been exited
+    bool exited = false;
+    for (int i = 0; i < p.n_coord_last(); ++i) {
+      if (p.cell_last(i) == cell_idx) {
+        exited = true;
+      }
+    }
+
+    // Check if the cell of interest has been entered
+    bool entered = false;
+    for (int i = 0; i < p.n_coord(); ++i) {
+      if (p.coord(i).cell == cell_idx) {
+        entered = true;
+      }
+    }
+
+    // Vacuum boundary conditions: return if cell is not exited
+    if (surf.bc_) {
+      if (surf.bc_->type() == "vacuum" && !exited) {
+        return;
+      }
+    } else {
+
+      // If we both enter and exit the cell of interest
+      if (entered && exited) {
+        return;
+      }
+
+      // If we did not enter nor exit the cell of interest
+      if (!entered && !exited) {
+        return;
+      }
+
+      // If cellfrom and the cell before crossing is not the cell of
+      // interest
+      if (settings::ssw_cell_type == SSWCellType::From && !exited) {
+        return;
+      }
+
+      // If cellto and the cell after crossing is not the cell of interest
+      if (settings::ssw_cell_type == SSWCellType::To && !entered) {
+        return;
+      }
+    }
+  }
+
+  SourceSite site;
+  site.r = p.r();
+  site.u = p.u();
+  site.E = p.E();
+  site.time = p.time();
+  site.wgt = p.wgt();
+  site.delayed_group = p.delayed_group();
+  site.surf_id = surf.id_;
+  site.particle = p.type();
+  site.parent_id = p.id();
+  site.progeny_id = p.n_progeny();
+  int64_t idx = simulation::surf_source_bank.thread_safe_append(site);
+}
+
 } // namespace openmc
diff --git a/src/settings.cpp b/src/settings.cpp
index f5cd1b7e9..6c3226b04 100644
--- a/src/settings.cpp
+++ b/src/settings.cpp
@@ -119,6 +119,8 @@ std::unordered_set<int> sourcepoint_batch;
 std::unordered_set<int> statepoint_batch;
 std::unordered_set<int> source_write_surf_id;
 int64_t max_surface_particles;
+int64_t ssw_cell_id {C_NONE};
+SSWCellType ssw_cell_type {SSWCellType::None};
 TemperatureMethod temperature_method {TemperatureMethod::NEAREST};
 double temperature_tolerance {10.0};
 double temperature_default {293.6};
@@ -747,7 +749,9 @@ void read_settings_xml(pugi::xml_node root)
     // Get surface source write node
     xml_node node_ssw = root.child("surf_source_write");
 
-    // Determine surface ids at which crossing particles are to be banked
+    // Determine surface ids at which crossing particles are to be banked.
+    // If no surfaces are specified, all surfaces in the model will be used
+    // to bank source points.
     if (check_for_node(node_ssw, "surface_ids")) {
       auto temp = get_node_array<int>(node_ssw, "surface_ids");
       for (const auto& b : temp) {
@@ -759,7 +763,12 @@ void read_settings_xml(pugi::xml_node root)
     if (check_for_node(node_ssw, "max_particles")) {
       max_surface_particles =
         std::stoll(get_node_value(node_ssw, "max_particles"));
+    } else {
+      fatal_error("A maximum number of particles needs to be specified "
+                  "using the 'max_particles' parameter to store surface "
+                  "source points.");
     }
+
     if (check_for_node(node_ssw, "mcpl")) {
       surf_mcpl_write = get_node_value_bool(node_ssw, "mcpl");
 
@@ -769,6 +778,27 @@ void read_settings_xml(pugi::xml_node root)
                     "surface source files.");
       }
     }
+    // Get cell information
+    if (check_for_node(node_ssw, "cell")) {
+      ssw_cell_id = std::stoll(get_node_value(node_ssw, "cell"));
+      ssw_cell_type = SSWCellType::Both;
+    }
+    if (check_for_node(node_ssw, "cellfrom")) {
+      if (ssw_cell_id != C_NONE) {
+        fatal_error(
+          "'cell', 'cellfrom' and 'cellto' cannot be used at the same time.");
+      }
+      ssw_cell_id = std::stoll(get_node_value(node_ssw, "cellfrom"));
+      ssw_cell_type = SSWCellType::From;
+    }
+    if (check_for_node(node_ssw, "cellto")) {
+      if (ssw_cell_id != C_NONE) {
+        fatal_error(
+          "'cell', 'cellfrom' and 'cellto' cannot be used at the same time.");
+      }
+      ssw_cell_id = std::stoll(get_node_value(node_ssw, "cellto"));
+      ssw_cell_type = SSWCellType::To;
+    }
   }
 
   // If source is not separate and is to be written out in the statepoint file,
diff --git a/src/surface.cpp b/src/surface.cpp
index 12fef070e..50ef2a128 100644
--- a/src/surface.cpp
+++ b/src/surface.cpp
@@ -63,7 +63,8 @@ Surface::Surface(pugi::xml_node surf_node)
 {
   if (check_for_node(surf_node, "id")) {
     id_ = std::stoi(get_node_value(surf_node, "id"));
-    if (contains(settings::source_write_surf_id, id_)) {
+    if (contains(settings::source_write_surf_id, id_) ||
+        settings::source_write_surf_id.empty()) {
       surf_source_ = true;
     }
   } else {
diff --git a/tests/regression_tests/filter_cellfrom/__init__.py b/tests/regression_tests/filter_cellfrom/__init__.py
new file mode 100644
index 000000000..e69de29bb
diff --git a/tests/regression_tests/filter_cellfrom/inputs_true.dat b/tests/regression_tests/filter_cellfrom/inputs_true.dat
new file mode 100644
index 000000000..8a37e8286
--- /dev/null
+++ b/tests/regression_tests/filter_cellfrom/inputs_true.dat
@@ -0,0 +1,151 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material depletable="true" id="1">
+      <density units="g/cm3" value="10.97"/>
+      <nuclide ao="0.0004524" name="U234"/>
+      <nuclide ao="0.0506068" name="U235"/>
+      <nuclide ao="0.948709" name="U238"/>
+      <nuclide ao="0.0002318" name="U236"/>
+      <nuclide ao="2.0" name="O16"/>
+    </material>
+    <material id="2">
+      <density units="g/cm3" value="1.0"/>
+      <nuclide ao="2.0" name="H1"/>
+      <nuclide ao="1.0" name="O16"/>
+    </material>
+    <material id="3">
+      <density units="g/cm3" value="0.001225"/>
+      <nuclide ao="0.1999242" name="O16"/>
+      <nuclide ao="7.58e-05" name="O17"/>
+      <nuclide ao="0.7970696" name="N14"/>
+      <nuclide ao="0.0029304" name="N15"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="-1 2 -3" universe="1"/>
+    <cell id="2" material="3" region="1 | -2 | 3" universe="1"/>
+    <cell fill="1" id="3" region="-5 4 -7 6 -9 8" universe="2"/>
+    <cell id="4" material="2" region="-11 10 -13 12 -15 14 (5 | -4 | 7 | -6 | 9 | -8)" universe="2"/>
+    <surface coeffs="0.0 0.0 2.0" id="1" type="z-cylinder"/>
+    <surface coeffs="-2.0" id="2" type="z-plane"/>
+    <surface coeffs="2.0" id="3" type="z-plane"/>
+    <surface coeffs="-2.05" id="4" type="x-plane"/>
+    <surface coeffs="2.05" id="5" type="x-plane"/>
+    <surface coeffs="-2.05" id="6" type="y-plane"/>
+    <surface coeffs="2.05" id="7" type="y-plane"/>
+    <surface coeffs="-2.05" id="8" type="z-plane"/>
+    <surface coeffs="2.05" id="9" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="-6.0" id="10" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="6.0" id="11" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="-6.0" id="12" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="6.0" id="13" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="-6.0" id="14" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="6.0" id="15" type="z-plane"/>
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>2000</particles>
+    <batches>15</batches>
+    <inactive>5</inactive>
+    <source particle="neutron" strength="1.0" type="independent">
+      <space type="fission">
+        <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
+      </space>
+    </source>
+    <seed>1</seed>
+  </settings>
+  <tallies>
+    <filter id="5" type="cellfrom">
+      <bins>1</bins>
+    </filter>
+    <filter id="1" type="cell">
+      <bins>1</bins>
+    </filter>
+    <filter id="2" type="cell">
+      <bins>2</bins>
+    </filter>
+    <filter id="3" type="cell">
+      <bins>3</bins>
+    </filter>
+    <filter id="4" type="cell">
+      <bins>4</bins>
+    </filter>
+    <filter id="6" type="cellfrom">
+      <bins>2</bins>
+    </filter>
+    <filter id="7" type="cellfrom">
+      <bins>3</bins>
+    </filter>
+    <filter id="8" type="cellfrom">
+      <bins>4</bins>
+    </filter>
+    <tally id="1" name="total from 1 in 1">
+      <filters>5 1</filters>
+      <scores>total</scores>
+    </tally>
+    <tally id="2" name="total from 1 in 2">
+      <filters>5 2</filters>
+      <scores>total</scores>
+    </tally>
+    <tally id="3" name="total from 1 in 3">
+      <filters>5 3</filters>
+      <scores>total</scores>
+    </tally>
+    <tally id="4" name="total from 1 in 4">
+      <filters>5 4</filters>
+      <scores>total</scores>
+    </tally>
+    <tally id="5" name="total from 2 in 1">
+      <filters>6 1</filters>
+      <scores>total</scores>
+    </tally>
+    <tally id="6" name="total from 2 in 2">
+      <filters>6 2</filters>
+      <scores>total</scores>
+    </tally>
+    <tally id="7" name="total from 2 in 3">
+      <filters>6 3</filters>
+      <scores>total</scores>
+    </tally>
+    <tally id="8" name="total from 2 in 4">
+      <filters>6 4</filters>
+      <scores>total</scores>
+    </tally>
+    <tally id="9" name="total from 3 in 1">
+      <filters>7 1</filters>
+      <scores>total</scores>
+    </tally>
+    <tally id="10" name="total from 3 in 2">
+      <filters>7 2</filters>
+      <scores>total</scores>
+    </tally>
+    <tally id="11" name="total from 3 in 3">
+      <filters>7 3</filters>
+      <scores>total</scores>
+    </tally>
+    <tally id="12" name="total from 3 in 4">
+      <filters>7 4</filters>
+      <scores>total</scores>
+    </tally>
+    <tally id="13" name="total from 4 in 1">
+      <filters>8 1</filters>
+      <scores>total</scores>
+    </tally>
+    <tally id="14" name="total from 4 in 2">
+      <filters>8 2</filters>
+      <scores>total</scores>
+    </tally>
+    <tally id="15" name="total from 4 in 3">
+      <filters>8 3</filters>
+      <scores>total</scores>
+    </tally>
+    <tally id="16" name="total from 4 in 4">
+      <filters>8 4</filters>
+      <scores>total</scores>
+    </tally>
+    <tally id="17" name="total">
+      <scores>total</scores>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/filter_cellfrom/results_true.dat b/tests/regression_tests/filter_cellfrom/results_true.dat
new file mode 100644
index 000000000..5dd43e1f3
--- /dev/null
+++ b/tests/regression_tests/filter_cellfrom/results_true.dat
@@ -0,0 +1,53 @@
+k-combined:
+9.640806E-02 2.655206E-03
+tally 1:
+6.025999E+00
+3.635317E+00
+tally 2:
+4.523606E-04
+2.051522E-08
+tally 3:
+6.026452E+00
+3.635862E+00
+tally 4:
+0.000000E+00
+0.000000E+00
+tally 5:
+1.530903E+00
+2.357048E-01
+tally 6:
+4.992646E-05
+2.600391E-10
+tally 7:
+1.530953E+00
+2.357201E-01
+tally 8:
+1.889115E+01
+3.574727E+01
+tally 9:
+7.556902E+00
+5.717680E+00
+tally 10:
+5.022871E-04
+2.531352E-08
+tally 11:
+7.557405E+00
+5.718440E+00
+tally 12:
+1.889115E+01
+3.574727E+01
+tally 13:
+0.000000E+00
+0.000000E+00
+tally 14:
+2.663407E-04
+7.161725E-09
+tally 15:
+2.663407E-04
+7.161725E-09
+tally 16:
+8.025710E+01
+6.459305E+02
+tally 17:
+1.067059E+02
+1.140939E+03
diff --git a/tests/regression_tests/filter_cellfrom/test.py b/tests/regression_tests/filter_cellfrom/test.py
new file mode 100644
index 000000000..8fb7509cb
--- /dev/null
+++ b/tests/regression_tests/filter_cellfrom/test.py
@@ -0,0 +1,315 @@
+"""This test ensures that the CellFromFilter works correctly even if the level of
+coordinates (number of encapsulated universes) is different in the cell from
+where the particle originates compared to the cell where the particle is going.
+
+A matrix of reaction rates based on where the particle is coming from and
+where it goes to is calculated and compared to the total reaction rate of the problem.
+The components of this matrix are also compared to other components using symmetric
+properties.
+
+TODO:
+
+- Test with a lattice,
+- Test with mesh,
+- Test with reflective boundary conditions,
+- Test with periodic boundary conditions.
+
+"""
+
+from numpy.testing import assert_allclose, assert_equal
+import numpy as np
+import openmc
+import pytest
+
+from tests.testing_harness import PyAPITestHarness
+
+
+RTOL = 1.0e-7
+ATOL = 0.0
+
+
+@pytest.fixture
+def model():
+    """Cylindrical core contained in a first box which is contained in a larger box.
+    A lower universe is used to describe the interior of the first box which
+    contains the core and its surrounding space."""
+    openmc.reset_auto_ids()
+    model = openmc.Model()
+
+    # =============================================================================
+    # Materials
+    # =============================================================================
+
+    fuel = openmc.Material()
+    fuel.add_nuclide("U234", 0.0004524)
+    fuel.add_nuclide("U235", 0.0506068)
+    fuel.add_nuclide("U238", 0.9487090)
+    fuel.add_nuclide("U236", 0.0002318)
+    fuel.add_nuclide("O16", 2.0)
+    fuel.set_density("g/cm3", 10.97)
+
+    water = openmc.Material()
+    water.add_nuclide("H1", 2.0)
+    water.add_nuclide("O16", 1.0)
+    water.set_density("g/cm3", 1.0)
+
+    air = openmc.Material()
+    air.add_element("O", 0.2)
+    air.add_element("N", 0.8)
+    air.set_density("g/cm3", 0.001225)
+
+    # =============================================================================
+    # Geometry
+    # =============================================================================
+
+    # -----------------------------------------------------------------------------
+    # Cylindrical core
+    # -----------------------------------------------------------------------------
+
+    # Parameters
+    core_radius = 2.0
+    core_height = 4.0
+
+    # Surfaces
+    core_cylinder = openmc.ZCylinder(r=core_radius)
+    core_lower_plane = openmc.ZPlane(z0=-core_height / 2.0)
+    core_upper_plane = openmc.ZPlane(z0=core_height / 2.0)
+
+    # Region
+    core_region = -core_cylinder & +core_lower_plane & -core_upper_plane
+
+    # Cells
+    core = openmc.Cell(fill=fuel, region=core_region)
+    outside_core_region = +core_cylinder | -core_lower_plane | +core_upper_plane
+    outside_core = openmc.Cell(fill=air, region=outside_core_region)
+
+    # Universe
+    inside_box1_universe = openmc.Universe(cells=[core, outside_core])
+
+    # -----------------------------------------------------------------------------
+    # Box 1
+    # -----------------------------------------------------------------------------
+
+    # Parameters
+    box1_size = 4.1
+
+    # Surfaces
+    box1_rpp = openmc.model.RectangularParallelepiped(
+        -box1_size / 2.0, box1_size / 2.0,
+        -box1_size / 2.0, box1_size / 2.0,
+        -box1_size / 2.0, box1_size / 2.0,
+    )
+
+    # Cell
+    box1 = openmc.Cell(fill=inside_box1_universe, region=-box1_rpp)
+
+    # -----------------------------------------------------------------------------
+    # Box 2
+    # -----------------------------------------------------------------------------
+
+    # Parameters
+    box2_size = 12
+
+    # Surfaces
+    box2_rpp = openmc.model.RectangularParallelepiped(
+        -box2_size / 2.0, box2_size / 2.0,
+        -box2_size / 2.0, box2_size / 2.0,
+        -box2_size / 2.0, box2_size / 2.0,
+        boundary_type="vacuum"
+    )
+
+    # Cell
+    box2 = openmc.Cell(fill=water, region=-box2_rpp & +box1_rpp)
+
+    # Register geometry
+    model.geometry = openmc.Geometry([box1, box2])
+
+    # =============================================================================
+    # Settings
+    # =============================================================================
+
+    model.settings = openmc.Settings()
+    model.settings.particles = 2000
+    model.settings.batches = 15
+    model.settings.inactive = 5
+    model.settings.seed = 1
+
+    bounds = [
+        -core_radius,
+        -core_radius,
+        -core_height / 2.0,
+        core_radius,
+        core_radius,
+        core_height / 2.0,
+    ]
+    distribution = openmc.stats.Box(bounds[:3], bounds[3:], only_fissionable=True)
+    model.settings.source = openmc.IndependentSource(space=distribution)
+
+    # =============================================================================
+    # Tallies
+    # =============================================================================
+
+    in_core_filter = openmc.CellFilter([core])
+    in_outside_core_filter = openmc.CellFilter([outside_core])
+    in_box1_filter = openmc.CellFilter([box1])
+    in_box2_filter = openmc.CellFilter([box2])
+
+    from_core_filter = openmc.CellFromFilter([core])
+    from_outside_core_filter = openmc.CellFromFilter([outside_core])
+    from_box1_filter = openmc.CellFromFilter([box1])
+    from_box2_filter = openmc.CellFromFilter([box2])
+
+    t1_1 = openmc.Tally(name="total from 1 in 1")
+    t1_1.filters = [from_core_filter, in_core_filter]
+    t1_1.scores = ["total"]
+
+    t1_2 = openmc.Tally(name="total from 1 in 2")
+    t1_2.filters = [from_core_filter, in_outside_core_filter]
+    t1_2.scores = ["total"]
+
+    t1_3 = openmc.Tally(name="total from 1 in 3")
+    t1_3.filters = [from_core_filter, in_box1_filter]
+    t1_3.scores = ["total"]
+
+    t1_4 = openmc.Tally(name="total from 1 in 4")
+    t1_4.filters = [from_core_filter, in_box2_filter]
+    t1_4.scores = ["total"]
+
+    t2_1 = openmc.Tally(name="total from 2 in 1")
+    t2_1.filters = [from_outside_core_filter, in_core_filter]
+    t2_1.scores = ["total"]
+
+    t2_2 = openmc.Tally(name="total from 2 in 2")
+    t2_2.filters = [from_outside_core_filter, in_outside_core_filter]
+    t2_2.scores = ["total"]
+
+    t2_3 = openmc.Tally(name="total from 2 in 3")
+    t2_3.filters = [from_outside_core_filter, in_box1_filter]
+    t2_3.scores = ["total"]
+
+    t2_4 = openmc.Tally(name="total from 2 in 4")
+    t2_4.filters = [from_outside_core_filter, in_box2_filter]
+    t2_4.scores = ["total"]
+
+    t3_1 = openmc.Tally(name="total from 3 in 1")
+    t3_1.filters = [from_box1_filter, in_core_filter]
+    t3_1.scores = ["total"]
+
+    t3_2 = openmc.Tally(name="total from 3 in 2")
+    t3_2.filters = [from_box1_filter, in_outside_core_filter]
+    t3_2.scores = ["total"]
+
+    t3_3 = openmc.Tally(name="total from 3 in 3")
+    t3_3.filters = [from_box1_filter, in_box1_filter]
+    t3_3.scores = ["total"]
+
+    t3_4 = openmc.Tally(name="total from 3 in 4")
+    t3_4.filters = [from_box1_filter, in_box2_filter]
+    t3_4.scores = ["total"]
+
+    t4_1 = openmc.Tally(name="total from 4 in 1")
+    t4_1.filters = [from_box2_filter, in_core_filter]
+    t4_1.scores = ["total"]
+
+    t4_2 = openmc.Tally(name="total from 4 in 2")
+    t4_2.filters = [from_box2_filter, in_outside_core_filter]
+    t4_2.scores = ["total"]
+
+    t4_3 = openmc.Tally(name="total from 4 in 3")
+    t4_3.filters = [from_box2_filter, in_box1_filter]
+    t4_3.scores = ["total"]
+
+    t4_4 = openmc.Tally(name="total from 4 in 4")
+    t4_4.filters = [from_box2_filter, in_box2_filter]
+    t4_4.scores = ["total"]
+
+    tglobal = openmc.Tally(name="total")
+    tglobal.scores = ["total"]
+
+    model.tallies += [
+        t1_1,
+        t1_2,
+        t1_3,
+        t1_4,
+        t2_1,
+        t2_2,
+        t2_3,
+        t2_4,
+        t3_1,
+        t3_2,
+        t3_3,
+        t3_4,
+        t4_1,
+        t4_2,
+        t4_3,
+        t4_4,
+        tglobal,
+    ]
+    return model
+
+
+class CellFromFilterTest(PyAPITestHarness):
+
+    def _compare_results(self):
+        """Additional unit tests on the tally results to check
+        consistency of CellFromFilter."""
+        with openmc.StatePoint(self.statepoint_name) as sp:
+
+            t1_1 = sp.get_tally(name="total from 1 in 1").mean
+            t1_2 = sp.get_tally(name="total from 1 in 2").mean
+            t1_3 = sp.get_tally(name="total from 1 in 3").mean
+            t1_4 = sp.get_tally(name="total from 1 in 4").mean
+
+            t2_1 = sp.get_tally(name="total from 2 in 1").mean
+            t2_2 = sp.get_tally(name="total from 2 in 2").mean
+            t2_3 = sp.get_tally(name="total from 2 in 3").mean
+            t2_4 = sp.get_tally(name="total from 2 in 4").mean
+
+            t3_1 = sp.get_tally(name="total from 3 in 1").mean
+            t3_2 = sp.get_tally(name="total from 3 in 2").mean
+            t3_3 = sp.get_tally(name="total from 3 in 3").mean
+            t3_4 = sp.get_tally(name="total from 3 in 4").mean
+
+            t4_1 = sp.get_tally(name="total from 4 in 1").mean
+            t4_2 = sp.get_tally(name="total from 4 in 2").mean
+            t4_3 = sp.get_tally(name="total from 4 in 3").mean
+            t4_4 = sp.get_tally(name="total from 4 in 4").mean
+
+            tglobal = sp.get_tally(name="total").mean
+
+            # From 1 and 2 is equivalent to from 3
+            assert_allclose(t1_1 + t2_1, t3_1, rtol=RTOL, atol=ATOL)
+            assert_allclose(t1_2 + t2_2, t3_2, rtol=RTOL, atol=ATOL)
+            assert_allclose(t1_3 + t2_3, t3_3, rtol=RTOL, atol=ATOL)
+            assert_allclose(t1_4 + t2_4, t3_4, rtol=RTOL, atol=ATOL)
+
+            # In 1 and 2 equivalent to in 3
+            assert_allclose(t1_1 + t1_2, t1_3, rtol=RTOL, atol=ATOL)
+            assert_allclose(t2_1 + t2_2, t2_3, rtol=RTOL, atol=ATOL)
+            assert_allclose(t3_1 + t3_2, t3_3, rtol=RTOL, atol=ATOL)
+            assert_allclose(t4_1 + t4_2, t4_3, rtol=RTOL, atol=ATOL)
+
+            # Comparison to global from 3
+            assert_allclose(t3_3 + t3_4 + t4_3 + t4_4, tglobal, rtol=RTOL, atol=ATOL)
+
+            # Comparison to global from 1 and 2
+            t_from_1_wo_3 = t1_1 + t1_2 + t1_4
+            t_from_2_wo_3 = t2_1 + t2_2 + t2_4
+            t_from_4_wo_3 = t4_1 + t4_2 + t4_4
+            assert_allclose(
+                t_from_1_wo_3 + t_from_2_wo_3 + t_from_4_wo_3,
+                tglobal,
+                rtol=RTOL,
+                atol=ATOL,
+            )
+
+            # 1 cannot contribute to 4 and 4 cannot contribute to 1 by symmetry
+            assert_equal(t1_4, np.zeros_like(t1_4))
+            assert_equal(t4_1, np.zeros_like(t4_1))
+
+        return super()._compare_results()
+
+
+def test_filter_cellfrom(model):
+    harness = CellFromFilterTest("statepoint.15.h5", model)
+    harness.main()
diff --git a/tests/regression_tests/surface_source/test.py b/tests/regression_tests/surface_source/test.py
index a25b40064..81bba0c94 100644
--- a/tests/regression_tests/surface_source/test.py
+++ b/tests/regression_tests/surface_source/test.py
@@ -118,15 +118,13 @@ class SurfaceSourceTestHarness(PyAPITestHarness):
 
 
 @pytest.mark.surf_source_op('write')
-def test_surface_source_write(model):
+def test_surface_source_write(model, monkeypatch):
     # Test result is based on 1 MPI process
-    np = config['mpi_np']
-    config['mpi_np'] = '1'
+    monkeypatch.setitem(config, "mpi_np", "1")
     harness = SurfaceSourceTestHarness('statepoint.10.h5',
                                        model,
                                        'inputs_true_write.dat')
     harness.main()
-    config['mpi_np'] = np
 
 
 @pytest.mark.surf_source_op('read')
diff --git a/tests/regression_tests/surface_source_write/__init__.py b/tests/regression_tests/surface_source_write/__init__.py
new file mode 100644
index 000000000..e69de29bb
diff --git a/tests/regression_tests/surface_source_write/_visualize.py b/tests/regression_tests/surface_source_write/_visualize.py
new file mode 100644
index 000000000..73340cae0
--- /dev/null
+++ b/tests/regression_tests/surface_source_write/_visualize.py
@@ -0,0 +1,66 @@
+"""Helper script to visualize the surface_source.h5 files created with this test.
+"""
+
+import h5py
+import matplotlib.pyplot as plt
+
+
+if __name__ == "__main__":
+
+    # Select an option
+    # "show": 3D visualization using matplotlib
+    # "savefig": 2D representation using matplotlib and storing the fig under plot_2d.png
+    option = "show"
+    # option = "savefig"
+
+    # Select the case from its folder name
+    folder = "case-20"
+
+    # Reading the surface source file
+    with h5py.File(f"{folder}/surface_source_true.h5", "r") as fp:
+        source_bank = fp["source_bank"][()]
+        r_xs = source_bank['r']['x']
+        r_ys = source_bank['r']['y']
+        r_zs = source_bank['r']['z']
+
+    print("Size of the source bank: ", len(source_bank))
+
+    # Select data range to visualize
+    idx_1 = 0
+    idx_2 = -1
+
+    # Show 3D representation
+    if option == "show":
+
+        fig = plt.figure(figsize=(10, 10))
+        ax1 = fig.add_subplot(projection="3d", proj_type="ortho")
+        ax1.scatter(r_xs[idx_1:idx_2], r_ys[idx_1:idx_2], r_zs[idx_1:idx_2], marker=".")
+        ax1.view_init(0, 0)
+        ax1.xaxis.set_ticklabels([])
+        ax1.set_ylabel("y-axis [cm]")
+        ax1.set_zlabel("z-axis [cm]")
+        ax1.set_aspect("equal", "box")
+
+        plt.show()
+
+    # Save 2D representations
+    elif option == "savefig":
+
+        fig = plt.figure(figsize=(14, 5))
+        ax1 = fig.add_subplot(121, projection="3d", proj_type="ortho")
+        ax1.scatter(r_xs[idx_1:idx_2], r_ys[idx_1:idx_2], r_zs[idx_1:idx_2], marker=".")
+        ax1.view_init(0, 0)
+        ax1.xaxis.set_ticklabels([])
+        ax1.set_ylabel("y-axis [cm]")
+        ax1.set_zlabel("z-axis [cm]")
+        ax1.set_aspect("equal", "box")
+
+        ax2 = fig.add_subplot(122, projection="3d", proj_type="ortho")
+        ax2.scatter(r_xs[idx_1:idx_2], r_ys[idx_1:idx_2], r_zs[idx_1:idx_2], marker=".")
+        ax2.view_init(90, -90)
+        ax2.zaxis.set_ticklabels([])
+        ax2.set_xlabel("x-axis [cm]")
+        ax2.set_ylabel("y-axis [cm]")
+        ax2.set_aspect("equal", "box")
+
+        plt.savefig("plot_2d.png")
diff --git a/tests/regression_tests/surface_source_write/case-01/inputs_true.dat b/tests/regression_tests/surface_source_write/case-01/inputs_true.dat
new file mode 100644
index 000000000..ecca3a9f8
--- /dev/null
+++ b/tests/regression_tests/surface_source_write/case-01/inputs_true.dat
@@ -0,0 +1,54 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material depletable="true" id="1">
+      <density units="g/cm3" value="11.0"/>
+      <nuclide ao="0.0004524" name="U234"/>
+      <nuclide ao="0.0506068" name="U235"/>
+      <nuclide ao="0.948709" name="U238"/>
+      <nuclide ao="0.0002318" name="U236"/>
+      <nuclide ao="2.0" name="O16"/>
+    </material>
+    <material id="2">
+      <density units="g/cm3" value="1.0"/>
+      <nuclide ao="2.0" name="H1"/>
+      <nuclide ao="1.0" name="O16"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="-1 2 -3" universe="1"/>
+    <cell id="2" material="2" region="1 | -2 | 3" universe="1"/>
+    <cell fill="1" id="3" region="-5 4 -7 6 -9 8" universe="2"/>
+    <cell id="4" material="2" region="-11 10 -13 12 -15 14 (5 | -4 | 7 | -6 | 9 | -8)" universe="2"/>
+    <surface coeffs="0.0 0.0 2.0" id="1" type="z-cylinder"/>
+    <surface coeffs="-2.0" id="2" type="z-plane"/>
+    <surface coeffs="2.0" id="3" type="z-plane"/>
+    <surface coeffs="-3.0" id="4" type="x-plane"/>
+    <surface coeffs="3.0" id="5" type="x-plane"/>
+    <surface coeffs="-3.0" id="6" type="y-plane"/>
+    <surface coeffs="3.0" id="7" type="y-plane"/>
+    <surface coeffs="-3.0" id="8" type="z-plane"/>
+    <surface coeffs="3.0" id="9" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="-4.0" id="10" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="4.0" id="11" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="-4.0" id="12" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="4.0" id="13" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="-4.0" id="14" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="4.0" id="15" type="z-plane"/>
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>5</batches>
+    <inactive>1</inactive>
+    <source particle="neutron" strength="1.0" type="independent">
+      <space type="fission">
+        <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
+      </space>
+    </source>
+    <surf_source_write>
+      <max_particles>300</max_particles>
+    </surf_source_write>
+    <seed>1</seed>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/surface_source_write/case-01/results_true.dat b/tests/regression_tests/surface_source_write/case-01/results_true.dat
new file mode 100644
index 000000000..8979eb554
--- /dev/null
+++ b/tests/regression_tests/surface_source_write/case-01/results_true.dat
@@ -0,0 +1,2 @@
+k-combined:
+5.169123E-02 9.144814E-03
diff --git a/tests/regression_tests/surface_source_write/case-01/surface_source_true.h5 b/tests/regression_tests/surface_source_write/case-01/surface_source_true.h5
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diff --git a/tests/regression_tests/surface_source_write/case-02/inputs_true.dat b/tests/regression_tests/surface_source_write/case-02/inputs_true.dat
new file mode 100644
index 000000000..8be841ad6
--- /dev/null
+++ b/tests/regression_tests/surface_source_write/case-02/inputs_true.dat
@@ -0,0 +1,55 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material depletable="true" id="1">
+      <density units="g/cm3" value="11.0"/>
+      <nuclide ao="0.0004524" name="U234"/>
+      <nuclide ao="0.0506068" name="U235"/>
+      <nuclide ao="0.948709" name="U238"/>
+      <nuclide ao="0.0002318" name="U236"/>
+      <nuclide ao="2.0" name="O16"/>
+    </material>
+    <material id="2">
+      <density units="g/cm3" value="1.0"/>
+      <nuclide ao="2.0" name="H1"/>
+      <nuclide ao="1.0" name="O16"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="-1 2 -3" universe="1"/>
+    <cell id="2" material="2" region="1 | -2 | 3" universe="1"/>
+    <cell fill="1" id="3" region="-5 4 -7 6 -9 8" universe="2"/>
+    <cell id="4" material="2" region="-11 10 -13 12 -15 14 (5 | -4 | 7 | -6 | 9 | -8)" universe="2"/>
+    <surface coeffs="0.0 0.0 2.0" id="1" type="z-cylinder"/>
+    <surface coeffs="-2.0" id="2" type="z-plane"/>
+    <surface coeffs="2.0" id="3" type="z-plane"/>
+    <surface coeffs="-3.0" id="4" type="x-plane"/>
+    <surface coeffs="3.0" id="5" type="x-plane"/>
+    <surface coeffs="-3.0" id="6" type="y-plane"/>
+    <surface coeffs="3.0" id="7" type="y-plane"/>
+    <surface coeffs="-3.0" id="8" type="z-plane"/>
+    <surface coeffs="3.0" id="9" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="-4.0" id="10" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="4.0" id="11" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="-4.0" id="12" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="4.0" id="13" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="-4.0" id="14" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="4.0" id="15" type="z-plane"/>
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>5</batches>
+    <inactive>1</inactive>
+    <source particle="neutron" strength="1.0" type="independent">
+      <space type="fission">
+        <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
+      </space>
+    </source>
+    <surf_source_write>
+      <surface_ids>8</surface_ids>
+      <max_particles>300</max_particles>
+    </surf_source_write>
+    <seed>1</seed>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/surface_source_write/case-02/results_true.dat b/tests/regression_tests/surface_source_write/case-02/results_true.dat
new file mode 100644
index 000000000..8979eb554
--- /dev/null
+++ b/tests/regression_tests/surface_source_write/case-02/results_true.dat
@@ -0,0 +1,2 @@
+k-combined:
+5.169123E-02 9.144814E-03
diff --git a/tests/regression_tests/surface_source_write/case-02/surface_source_true.h5 b/tests/regression_tests/surface_source_write/case-02/surface_source_true.h5
new file mode 100644
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diff --git a/tests/regression_tests/surface_source_write/case-03/inputs_true.dat b/tests/regression_tests/surface_source_write/case-03/inputs_true.dat
new file mode 100644
index 000000000..38faa2a78
--- /dev/null
+++ b/tests/regression_tests/surface_source_write/case-03/inputs_true.dat
@@ -0,0 +1,55 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material depletable="true" id="1">
+      <density units="g/cm3" value="11.0"/>
+      <nuclide ao="0.0004524" name="U234"/>
+      <nuclide ao="0.0506068" name="U235"/>
+      <nuclide ao="0.948709" name="U238"/>
+      <nuclide ao="0.0002318" name="U236"/>
+      <nuclide ao="2.0" name="O16"/>
+    </material>
+    <material id="2">
+      <density units="g/cm3" value="1.0"/>
+      <nuclide ao="2.0" name="H1"/>
+      <nuclide ao="1.0" name="O16"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="-1 2 -3" universe="1"/>
+    <cell id="2" material="2" region="1 | -2 | 3" universe="1"/>
+    <cell fill="1" id="3" region="-5 4 -7 6 -9 8" universe="2"/>
+    <cell id="4" material="2" region="-11 10 -13 12 -15 14 (5 | -4 | 7 | -6 | 9 | -8)" universe="2"/>
+    <surface coeffs="0.0 0.0 2.0" id="1" type="z-cylinder"/>
+    <surface coeffs="-2.0" id="2" type="z-plane"/>
+    <surface coeffs="2.0" id="3" type="z-plane"/>
+    <surface coeffs="-3.0" id="4" type="x-plane"/>
+    <surface coeffs="3.0" id="5" type="x-plane"/>
+    <surface coeffs="-3.0" id="6" type="y-plane"/>
+    <surface coeffs="3.0" id="7" type="y-plane"/>
+    <surface coeffs="-3.0" id="8" type="z-plane"/>
+    <surface coeffs="3.0" id="9" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="-4.0" id="10" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="4.0" id="11" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="-4.0" id="12" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="4.0" id="13" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="-4.0" id="14" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="4.0" id="15" type="z-plane"/>
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>5</batches>
+    <inactive>1</inactive>
+    <source particle="neutron" strength="1.0" type="independent">
+      <space type="fission">
+        <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
+      </space>
+    </source>
+    <surf_source_write>
+      <surface_ids>4 5 6 7 8 9</surface_ids>
+      <max_particles>300</max_particles>
+    </surf_source_write>
+    <seed>1</seed>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/surface_source_write/case-03/results_true.dat b/tests/regression_tests/surface_source_write/case-03/results_true.dat
new file mode 100644
index 000000000..8979eb554
--- /dev/null
+++ b/tests/regression_tests/surface_source_write/case-03/results_true.dat
@@ -0,0 +1,2 @@
+k-combined:
+5.169123E-02 9.144814E-03
diff --git a/tests/regression_tests/surface_source_write/case-03/surface_source_true.h5 b/tests/regression_tests/surface_source_write/case-03/surface_source_true.h5
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diff --git a/tests/regression_tests/surface_source_write/case-04/inputs_true.dat b/tests/regression_tests/surface_source_write/case-04/inputs_true.dat
new file mode 100644
index 000000000..99a5a2899
--- /dev/null
+++ b/tests/regression_tests/surface_source_write/case-04/inputs_true.dat
@@ -0,0 +1,56 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material depletable="true" id="1">
+      <density units="g/cm3" value="11.0"/>
+      <nuclide ao="0.0004524" name="U234"/>
+      <nuclide ao="0.0506068" name="U235"/>
+      <nuclide ao="0.948709" name="U238"/>
+      <nuclide ao="0.0002318" name="U236"/>
+      <nuclide ao="2.0" name="O16"/>
+    </material>
+    <material id="2">
+      <density units="g/cm3" value="1.0"/>
+      <nuclide ao="2.0" name="H1"/>
+      <nuclide ao="1.0" name="O16"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="-1 2 -3" universe="1"/>
+    <cell id="2" material="2" region="1 | -2 | 3" universe="1"/>
+    <cell fill="1" id="3" region="-5 4 -7 6 -9 8" universe="2"/>
+    <cell id="4" material="2" region="-11 10 -13 12 -15 14 (5 | -4 | 7 | -6 | 9 | -8)" universe="2"/>
+    <surface coeffs="0.0 0.0 2.0" id="1" type="z-cylinder"/>
+    <surface coeffs="-2.0" id="2" type="z-plane"/>
+    <surface coeffs="2.0" id="3" type="z-plane"/>
+    <surface coeffs="-3.0" id="4" type="x-plane"/>
+    <surface coeffs="3.0" id="5" type="x-plane"/>
+    <surface coeffs="-3.0" id="6" type="y-plane"/>
+    <surface coeffs="3.0" id="7" type="y-plane"/>
+    <surface coeffs="-3.0" id="8" type="z-plane"/>
+    <surface coeffs="3.0" id="9" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="-4.0" id="10" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="4.0" id="11" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="-4.0" id="12" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="4.0" id="13" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="-4.0" id="14" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="4.0" id="15" type="z-plane"/>
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>5</batches>
+    <inactive>1</inactive>
+    <source particle="neutron" strength="1.0" type="independent">
+      <space type="fission">
+        <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
+      </space>
+    </source>
+    <surf_source_write>
+      <surface_ids>4 5 6 7 8 9</surface_ids>
+      <max_particles>300</max_particles>
+      <cell>2</cell>
+    </surf_source_write>
+    <seed>1</seed>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/surface_source_write/case-04/results_true.dat b/tests/regression_tests/surface_source_write/case-04/results_true.dat
new file mode 100644
index 000000000..8979eb554
--- /dev/null
+++ b/tests/regression_tests/surface_source_write/case-04/results_true.dat
@@ -0,0 +1,2 @@
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diff --git a/tests/regression_tests/surface_source_write/case-04/surface_source_true.h5 b/tests/regression_tests/surface_source_write/case-04/surface_source_true.h5
new file mode 100644
index 0000000000000000000000000000000000000000..75c309eb4f43740be530493ea10863478d06a525
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diff --git a/tests/regression_tests/surface_source_write/case-05/inputs_true.dat b/tests/regression_tests/surface_source_write/case-05/inputs_true.dat
new file mode 100644
index 000000000..49eedb7cf
--- /dev/null
+++ b/tests/regression_tests/surface_source_write/case-05/inputs_true.dat
@@ -0,0 +1,56 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material depletable="true" id="1">
+      <density units="g/cm3" value="11.0"/>
+      <nuclide ao="0.0004524" name="U234"/>
+      <nuclide ao="0.0506068" name="U235"/>
+      <nuclide ao="0.948709" name="U238"/>
+      <nuclide ao="0.0002318" name="U236"/>
+      <nuclide ao="2.0" name="O16"/>
+    </material>
+    <material id="2">
+      <density units="g/cm3" value="1.0"/>
+      <nuclide ao="2.0" name="H1"/>
+      <nuclide ao="1.0" name="O16"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="-1 2 -3" universe="1"/>
+    <cell id="2" material="2" region="1 | -2 | 3" universe="1"/>
+    <cell fill="1" id="3" region="-5 4 -7 6 -9 8" universe="2"/>
+    <cell id="4" material="2" region="-11 10 -13 12 -15 14 (5 | -4 | 7 | -6 | 9 | -8)" universe="2"/>
+    <surface coeffs="0.0 0.0 2.0" id="1" type="z-cylinder"/>
+    <surface coeffs="-2.0" id="2" type="z-plane"/>
+    <surface coeffs="2.0" id="3" type="z-plane"/>
+    <surface coeffs="-3.0" id="4" type="x-plane"/>
+    <surface coeffs="3.0" id="5" type="x-plane"/>
+    <surface coeffs="-3.0" id="6" type="y-plane"/>
+    <surface coeffs="3.0" id="7" type="y-plane"/>
+    <surface coeffs="-3.0" id="8" type="z-plane"/>
+    <surface coeffs="3.0" id="9" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="-4.0" id="10" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="4.0" id="11" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="-4.0" id="12" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="4.0" id="13" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="-4.0" id="14" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="4.0" id="15" type="z-plane"/>
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>5</batches>
+    <inactive>1</inactive>
+    <source particle="neutron" strength="1.0" type="independent">
+      <space type="fission">
+        <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
+      </space>
+    </source>
+    <surf_source_write>
+      <surface_ids>4 5 6 7 8 9</surface_ids>
+      <max_particles>300</max_particles>
+      <cell>3</cell>
+    </surf_source_write>
+    <seed>1</seed>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/surface_source_write/case-05/results_true.dat b/tests/regression_tests/surface_source_write/case-05/results_true.dat
new file mode 100644
index 000000000..8979eb554
--- /dev/null
+++ b/tests/regression_tests/surface_source_write/case-05/results_true.dat
@@ -0,0 +1,2 @@
+k-combined:
+5.169123E-02 9.144814E-03
diff --git a/tests/regression_tests/surface_source_write/case-05/surface_source_true.h5 b/tests/regression_tests/surface_source_write/case-05/surface_source_true.h5
new file mode 100644
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diff --git a/tests/regression_tests/surface_source_write/case-06/inputs_true.dat b/tests/regression_tests/surface_source_write/case-06/inputs_true.dat
new file mode 100644
index 000000000..cdb9726d6
--- /dev/null
+++ b/tests/regression_tests/surface_source_write/case-06/inputs_true.dat
@@ -0,0 +1,55 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material depletable="true" id="1">
+      <density units="g/cm3" value="11.0"/>
+      <nuclide ao="0.0004524" name="U234"/>
+      <nuclide ao="0.0506068" name="U235"/>
+      <nuclide ao="0.948709" name="U238"/>
+      <nuclide ao="0.0002318" name="U236"/>
+      <nuclide ao="2.0" name="O16"/>
+    </material>
+    <material id="2">
+      <density units="g/cm3" value="1.0"/>
+      <nuclide ao="2.0" name="H1"/>
+      <nuclide ao="1.0" name="O16"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="-1 2 -3" universe="1"/>
+    <cell id="2" material="2" region="1 | -2 | 3" universe="1"/>
+    <cell fill="1" id="3" region="-5 4 -7 6 -9 8" universe="2"/>
+    <cell id="4" material="2" region="-11 10 -13 12 -15 14 (5 | -4 | 7 | -6 | 9 | -8)" universe="2"/>
+    <surface coeffs="0.0 0.0 2.0" id="1" type="z-cylinder"/>
+    <surface coeffs="-2.0" id="2" type="z-plane"/>
+    <surface coeffs="2.0" id="3" type="z-plane"/>
+    <surface coeffs="-3.0" id="4" type="x-plane"/>
+    <surface coeffs="3.0" id="5" type="x-plane"/>
+    <surface coeffs="-3.0" id="6" type="y-plane"/>
+    <surface coeffs="3.0" id="7" type="y-plane"/>
+    <surface coeffs="-3.0" id="8" type="z-plane"/>
+    <surface coeffs="3.0" id="9" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="-4.0" id="10" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="4.0" id="11" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="-4.0" id="12" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="4.0" id="13" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="-4.0" id="14" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="4.0" id="15" type="z-plane"/>
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>5</batches>
+    <inactive>1</inactive>
+    <source particle="neutron" strength="1.0" type="independent">
+      <space type="fission">
+        <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
+      </space>
+    </source>
+    <surf_source_write>
+      <max_particles>300</max_particles>
+      <cell>2</cell>
+    </surf_source_write>
+    <seed>1</seed>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/surface_source_write/case-06/results_true.dat b/tests/regression_tests/surface_source_write/case-06/results_true.dat
new file mode 100644
index 000000000..8979eb554
--- /dev/null
+++ b/tests/regression_tests/surface_source_write/case-06/results_true.dat
@@ -0,0 +1,2 @@
+k-combined:
+5.169123E-02 9.144814E-03
diff --git a/tests/regression_tests/surface_source_write/case-06/surface_source_true.h5 b/tests/regression_tests/surface_source_write/case-06/surface_source_true.h5
new file mode 100644
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diff --git a/tests/regression_tests/surface_source_write/case-07/inputs_true.dat b/tests/regression_tests/surface_source_write/case-07/inputs_true.dat
new file mode 100644
index 000000000..ff73358ca
--- /dev/null
+++ b/tests/regression_tests/surface_source_write/case-07/inputs_true.dat
@@ -0,0 +1,55 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material depletable="true" id="1">
+      <density units="g/cm3" value="11.0"/>
+      <nuclide ao="0.0004524" name="U234"/>
+      <nuclide ao="0.0506068" name="U235"/>
+      <nuclide ao="0.948709" name="U238"/>
+      <nuclide ao="0.0002318" name="U236"/>
+      <nuclide ao="2.0" name="O16"/>
+    </material>
+    <material id="2">
+      <density units="g/cm3" value="1.0"/>
+      <nuclide ao="2.0" name="H1"/>
+      <nuclide ao="1.0" name="O16"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="-1 2 -3" universe="1"/>
+    <cell id="2" material="2" region="1 | -2 | 3" universe="1"/>
+    <cell fill="1" id="3" region="-5 4 -7 6 -9 8" universe="2"/>
+    <cell id="4" material="2" region="-11 10 -13 12 -15 14 (5 | -4 | 7 | -6 | 9 | -8)" universe="2"/>
+    <surface coeffs="0.0 0.0 2.0" id="1" type="z-cylinder"/>
+    <surface coeffs="-2.0" id="2" type="z-plane"/>
+    <surface coeffs="2.0" id="3" type="z-plane"/>
+    <surface coeffs="-3.0" id="4" type="x-plane"/>
+    <surface coeffs="3.0" id="5" type="x-plane"/>
+    <surface coeffs="-3.0" id="6" type="y-plane"/>
+    <surface coeffs="3.0" id="7" type="y-plane"/>
+    <surface coeffs="-3.0" id="8" type="z-plane"/>
+    <surface coeffs="3.0" id="9" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="-4.0" id="10" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="4.0" id="11" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="-4.0" id="12" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="4.0" id="13" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="-4.0" id="14" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="4.0" id="15" type="z-plane"/>
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>5</batches>
+    <inactive>1</inactive>
+    <source particle="neutron" strength="1.0" type="independent">
+      <space type="fission">
+        <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
+      </space>
+    </source>
+    <surf_source_write>
+      <max_particles>300</max_particles>
+      <cell>3</cell>
+    </surf_source_write>
+    <seed>1</seed>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/surface_source_write/case-07/results_true.dat b/tests/regression_tests/surface_source_write/case-07/results_true.dat
new file mode 100644
index 000000000..8979eb554
--- /dev/null
+++ b/tests/regression_tests/surface_source_write/case-07/results_true.dat
@@ -0,0 +1,2 @@
+k-combined:
+5.169123E-02 9.144814E-03
diff --git a/tests/regression_tests/surface_source_write/case-07/surface_source_true.h5 b/tests/regression_tests/surface_source_write/case-07/surface_source_true.h5
new file mode 100644
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HcmV?d00001

diff --git a/tests/regression_tests/surface_source_write/case-08/inputs_true.dat b/tests/regression_tests/surface_source_write/case-08/inputs_true.dat
new file mode 100644
index 000000000..8bda9795d
--- /dev/null
+++ b/tests/regression_tests/surface_source_write/case-08/inputs_true.dat
@@ -0,0 +1,55 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material depletable="true" id="1">
+      <density units="g/cm3" value="11.0"/>
+      <nuclide ao="0.0004524" name="U234"/>
+      <nuclide ao="0.0506068" name="U235"/>
+      <nuclide ao="0.948709" name="U238"/>
+      <nuclide ao="0.0002318" name="U236"/>
+      <nuclide ao="2.0" name="O16"/>
+    </material>
+    <material id="2">
+      <density units="g/cm3" value="1.0"/>
+      <nuclide ao="2.0" name="H1"/>
+      <nuclide ao="1.0" name="O16"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="-1 2 -3" universe="1"/>
+    <cell id="2" material="2" region="1 | -2 | 3" universe="1"/>
+    <cell fill="1" id="3" region="-5 4 -7 6 -9 8" universe="2"/>
+    <cell id="4" material="2" region="-11 10 -13 12 -15 14 (5 | -4 | 7 | -6 | 9 | -8)" universe="2"/>
+    <surface coeffs="0.0 0.0 2.0" id="1" type="z-cylinder"/>
+    <surface coeffs="-2.0" id="2" type="z-plane"/>
+    <surface coeffs="2.0" id="3" type="z-plane"/>
+    <surface coeffs="-3.0" id="4" type="x-plane"/>
+    <surface coeffs="3.0" id="5" type="x-plane"/>
+    <surface coeffs="-3.0" id="6" type="y-plane"/>
+    <surface coeffs="3.0" id="7" type="y-plane"/>
+    <surface coeffs="-3.0" id="8" type="z-plane"/>
+    <surface coeffs="3.0" id="9" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="-4.0" id="10" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="4.0" id="11" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="-4.0" id="12" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="4.0" id="13" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="-4.0" id="14" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="4.0" id="15" type="z-plane"/>
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>5</batches>
+    <inactive>1</inactive>
+    <source particle="neutron" strength="1.0" type="independent">
+      <space type="fission">
+        <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
+      </space>
+    </source>
+    <surf_source_write>
+      <max_particles>300</max_particles>
+      <cellfrom>2</cellfrom>
+    </surf_source_write>
+    <seed>1</seed>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/surface_source_write/case-08/results_true.dat b/tests/regression_tests/surface_source_write/case-08/results_true.dat
new file mode 100644
index 000000000..8979eb554
--- /dev/null
+++ b/tests/regression_tests/surface_source_write/case-08/results_true.dat
@@ -0,0 +1,2 @@
+k-combined:
+5.169123E-02 9.144814E-03
diff --git a/tests/regression_tests/surface_source_write/case-08/surface_source_true.h5 b/tests/regression_tests/surface_source_write/case-08/surface_source_true.h5
new file mode 100644
index 0000000000000000000000000000000000000000..1fd302a7cd429beaee0a203ec8e5f1da09cb09d9
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diff --git a/tests/regression_tests/surface_source_write/case-09/inputs_true.dat b/tests/regression_tests/surface_source_write/case-09/inputs_true.dat
new file mode 100644
index 000000000..4e893fffa
--- /dev/null
+++ b/tests/regression_tests/surface_source_write/case-09/inputs_true.dat
@@ -0,0 +1,55 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material depletable="true" id="1">
+      <density units="g/cm3" value="11.0"/>
+      <nuclide ao="0.0004524" name="U234"/>
+      <nuclide ao="0.0506068" name="U235"/>
+      <nuclide ao="0.948709" name="U238"/>
+      <nuclide ao="0.0002318" name="U236"/>
+      <nuclide ao="2.0" name="O16"/>
+    </material>
+    <material id="2">
+      <density units="g/cm3" value="1.0"/>
+      <nuclide ao="2.0" name="H1"/>
+      <nuclide ao="1.0" name="O16"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="-1 2 -3" universe="1"/>
+    <cell id="2" material="2" region="1 | -2 | 3" universe="1"/>
+    <cell fill="1" id="3" region="-5 4 -7 6 -9 8" universe="2"/>
+    <cell id="4" material="2" region="-11 10 -13 12 -15 14 (5 | -4 | 7 | -6 | 9 | -8)" universe="2"/>
+    <surface coeffs="0.0 0.0 2.0" id="1" type="z-cylinder"/>
+    <surface coeffs="-2.0" id="2" type="z-plane"/>
+    <surface coeffs="2.0" id="3" type="z-plane"/>
+    <surface coeffs="-3.0" id="4" type="x-plane"/>
+    <surface coeffs="3.0" id="5" type="x-plane"/>
+    <surface coeffs="-3.0" id="6" type="y-plane"/>
+    <surface coeffs="3.0" id="7" type="y-plane"/>
+    <surface coeffs="-3.0" id="8" type="z-plane"/>
+    <surface coeffs="3.0" id="9" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="-4.0" id="10" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="4.0" id="11" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="-4.0" id="12" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="4.0" id="13" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="-4.0" id="14" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="4.0" id="15" type="z-plane"/>
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>5</batches>
+    <inactive>1</inactive>
+    <source particle="neutron" strength="1.0" type="independent">
+      <space type="fission">
+        <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
+      </space>
+    </source>
+    <surf_source_write>
+      <max_particles>300</max_particles>
+      <cellto>2</cellto>
+    </surf_source_write>
+    <seed>1</seed>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/surface_source_write/case-09/results_true.dat b/tests/regression_tests/surface_source_write/case-09/results_true.dat
new file mode 100644
index 000000000..8979eb554
--- /dev/null
+++ b/tests/regression_tests/surface_source_write/case-09/results_true.dat
@@ -0,0 +1,2 @@
+k-combined:
+5.169123E-02 9.144814E-03
diff --git a/tests/regression_tests/surface_source_write/case-09/surface_source_true.h5 b/tests/regression_tests/surface_source_write/case-09/surface_source_true.h5
new file mode 100644
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diff --git a/tests/regression_tests/surface_source_write/case-10/inputs_true.dat b/tests/regression_tests/surface_source_write/case-10/inputs_true.dat
new file mode 100644
index 000000000..2d8f1ce64
--- /dev/null
+++ b/tests/regression_tests/surface_source_write/case-10/inputs_true.dat
@@ -0,0 +1,55 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material depletable="true" id="1">
+      <density units="g/cm3" value="11.0"/>
+      <nuclide ao="0.0004524" name="U234"/>
+      <nuclide ao="0.0506068" name="U235"/>
+      <nuclide ao="0.948709" name="U238"/>
+      <nuclide ao="0.0002318" name="U236"/>
+      <nuclide ao="2.0" name="O16"/>
+    </material>
+    <material id="2">
+      <density units="g/cm3" value="1.0"/>
+      <nuclide ao="2.0" name="H1"/>
+      <nuclide ao="1.0" name="O16"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="-1 2 -3" universe="1"/>
+    <cell id="2" material="2" region="1 | -2 | 3" universe="1"/>
+    <cell fill="1" id="3" region="-5 4 -7 6 -9 8" universe="2"/>
+    <cell id="4" material="2" region="-11 10 -13 12 -15 14 (5 | -4 | 7 | -6 | 9 | -8)" universe="2"/>
+    <surface coeffs="0.0 0.0 2.0" id="1" type="z-cylinder"/>
+    <surface coeffs="-2.0" id="2" type="z-plane"/>
+    <surface coeffs="2.0" id="3" type="z-plane"/>
+    <surface coeffs="-3.0" id="4" type="x-plane"/>
+    <surface coeffs="3.0" id="5" type="x-plane"/>
+    <surface coeffs="-3.0" id="6" type="y-plane"/>
+    <surface coeffs="3.0" id="7" type="y-plane"/>
+    <surface coeffs="-3.0" id="8" type="z-plane"/>
+    <surface coeffs="3.0" id="9" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="-4.0" id="10" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="4.0" id="11" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="-4.0" id="12" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="4.0" id="13" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="-4.0" id="14" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="4.0" id="15" type="z-plane"/>
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>5</batches>
+    <inactive>1</inactive>
+    <source particle="neutron" strength="1.0" type="independent">
+      <space type="fission">
+        <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
+      </space>
+    </source>
+    <surf_source_write>
+      <max_particles>300</max_particles>
+      <cellfrom>3</cellfrom>
+    </surf_source_write>
+    <seed>1</seed>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/surface_source_write/case-10/results_true.dat b/tests/regression_tests/surface_source_write/case-10/results_true.dat
new file mode 100644
index 000000000..8979eb554
--- /dev/null
+++ b/tests/regression_tests/surface_source_write/case-10/results_true.dat
@@ -0,0 +1,2 @@
+k-combined:
+5.169123E-02 9.144814E-03
diff --git a/tests/regression_tests/surface_source_write/case-10/surface_source_true.h5 b/tests/regression_tests/surface_source_write/case-10/surface_source_true.h5
new file mode 100644
index 0000000000000000000000000000000000000000..1512d869298f2a8a0c86d1218646be2abe1ac77b
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diff --git a/tests/regression_tests/surface_source_write/case-11/inputs_true.dat b/tests/regression_tests/surface_source_write/case-11/inputs_true.dat
new file mode 100644
index 000000000..307dec547
--- /dev/null
+++ b/tests/regression_tests/surface_source_write/case-11/inputs_true.dat
@@ -0,0 +1,55 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material depletable="true" id="1">
+      <density units="g/cm3" value="11.0"/>
+      <nuclide ao="0.0004524" name="U234"/>
+      <nuclide ao="0.0506068" name="U235"/>
+      <nuclide ao="0.948709" name="U238"/>
+      <nuclide ao="0.0002318" name="U236"/>
+      <nuclide ao="2.0" name="O16"/>
+    </material>
+    <material id="2">
+      <density units="g/cm3" value="1.0"/>
+      <nuclide ao="2.0" name="H1"/>
+      <nuclide ao="1.0" name="O16"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="-1 2 -3" universe="1"/>
+    <cell id="2" material="2" region="1 | -2 | 3" universe="1"/>
+    <cell fill="1" id="3" region="-5 4 -7 6 -9 8" universe="2"/>
+    <cell id="4" material="2" region="-11 10 -13 12 -15 14 (5 | -4 | 7 | -6 | 9 | -8)" universe="2"/>
+    <surface coeffs="0.0 0.0 2.0" id="1" type="z-cylinder"/>
+    <surface coeffs="-2.0" id="2" type="z-plane"/>
+    <surface coeffs="2.0" id="3" type="z-plane"/>
+    <surface coeffs="-3.0" id="4" type="x-plane"/>
+    <surface coeffs="3.0" id="5" type="x-plane"/>
+    <surface coeffs="-3.0" id="6" type="y-plane"/>
+    <surface coeffs="3.0" id="7" type="y-plane"/>
+    <surface coeffs="-3.0" id="8" type="z-plane"/>
+    <surface coeffs="3.0" id="9" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="-4.0" id="10" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="4.0" id="11" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="-4.0" id="12" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="4.0" id="13" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="-4.0" id="14" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="4.0" id="15" type="z-plane"/>
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>5</batches>
+    <inactive>1</inactive>
+    <source particle="neutron" strength="1.0" type="independent">
+      <space type="fission">
+        <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
+      </space>
+    </source>
+    <surf_source_write>
+      <max_particles>300</max_particles>
+      <cellto>3</cellto>
+    </surf_source_write>
+    <seed>1</seed>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/surface_source_write/case-11/results_true.dat b/tests/regression_tests/surface_source_write/case-11/results_true.dat
new file mode 100644
index 000000000..8979eb554
--- /dev/null
+++ b/tests/regression_tests/surface_source_write/case-11/results_true.dat
@@ -0,0 +1,2 @@
+k-combined:
+5.169123E-02 9.144814E-03
diff --git a/tests/regression_tests/surface_source_write/case-11/surface_source_true.h5 b/tests/regression_tests/surface_source_write/case-11/surface_source_true.h5
new file mode 100644
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diff --git a/tests/regression_tests/surface_source_write/case-12/inputs_true.dat b/tests/regression_tests/surface_source_write/case-12/inputs_true.dat
new file mode 100644
index 000000000..087024695
--- /dev/null
+++ b/tests/regression_tests/surface_source_write/case-12/inputs_true.dat
@@ -0,0 +1,48 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material depletable="true" id="1">
+      <density units="g/cm3" value="11.0"/>
+      <nuclide ao="0.0004524" name="U234"/>
+      <nuclide ao="0.0506068" name="U235"/>
+      <nuclide ao="0.948709" name="U238"/>
+      <nuclide ao="0.0002318" name="U236"/>
+      <nuclide ao="2.0" name="O16"/>
+    </material>
+    <material id="2">
+      <density units="g/cm3" value="1.0"/>
+      <nuclide ao="2.0" name="H1"/>
+      <nuclide ao="1.0" name="O16"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="-1 2 -3" universe="1"/>
+    <cell id="2" material="2" region="1 | -2 | 3" universe="1"/>
+    <cell fill="1" id="3" region="-5 4 -7 6 -9 8" universe="2"/>
+    <surface coeffs="0.0 0.0 2.0" id="1" type="z-cylinder"/>
+    <surface coeffs="-2.0" id="2" type="z-plane"/>
+    <surface coeffs="2.0" id="3" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="-3.0" id="4" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="3.0" id="5" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="-3.0" id="6" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="3.0" id="7" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="-3.0" id="8" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="3.0" id="9" type="z-plane"/>
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>5</batches>
+    <inactive>1</inactive>
+    <source particle="neutron" strength="1.0" type="independent">
+      <space type="fission">
+        <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
+      </space>
+    </source>
+    <surf_source_write>
+      <surface_ids>4 5 6 7 8 9</surface_ids>
+      <max_particles>300</max_particles>
+    </surf_source_write>
+    <seed>1</seed>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/surface_source_write/case-12/results_true.dat b/tests/regression_tests/surface_source_write/case-12/results_true.dat
new file mode 100644
index 000000000..d793a7e42
--- /dev/null
+++ b/tests/regression_tests/surface_source_write/case-12/results_true.dat
@@ -0,0 +1,2 @@
+k-combined:
+4.752377E-02 6.773395E-03
diff --git a/tests/regression_tests/surface_source_write/case-12/surface_source_true.h5 b/tests/regression_tests/surface_source_write/case-12/surface_source_true.h5
new file mode 100644
index 0000000000000000000000000000000000000000..ea81a8250956ba2f3da07bde3332e13963cd26d7
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diff --git a/tests/regression_tests/surface_source_write/case-13/inputs_true.dat b/tests/regression_tests/surface_source_write/case-13/inputs_true.dat
new file mode 100644
index 000000000..a3421298b
--- /dev/null
+++ b/tests/regression_tests/surface_source_write/case-13/inputs_true.dat
@@ -0,0 +1,49 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material depletable="true" id="1">
+      <density units="g/cm3" value="11.0"/>
+      <nuclide ao="0.0004524" name="U234"/>
+      <nuclide ao="0.0506068" name="U235"/>
+      <nuclide ao="0.948709" name="U238"/>
+      <nuclide ao="0.0002318" name="U236"/>
+      <nuclide ao="2.0" name="O16"/>
+    </material>
+    <material id="2">
+      <density units="g/cm3" value="1.0"/>
+      <nuclide ao="2.0" name="H1"/>
+      <nuclide ao="1.0" name="O16"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="-1 2 -3" universe="1"/>
+    <cell id="2" material="2" region="1 | -2 | 3" universe="1"/>
+    <cell fill="1" id="3" region="-5 4 -7 6 -9 8" universe="2"/>
+    <surface coeffs="0.0 0.0 2.0" id="1" type="z-cylinder"/>
+    <surface coeffs="-2.0" id="2" type="z-plane"/>
+    <surface coeffs="2.0" id="3" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="-3.0" id="4" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="3.0" id="5" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="-3.0" id="6" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="3.0" id="7" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="-3.0" id="8" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="3.0" id="9" type="z-plane"/>
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>5</batches>
+    <inactive>1</inactive>
+    <source particle="neutron" strength="1.0" type="independent">
+      <space type="fission">
+        <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
+      </space>
+    </source>
+    <surf_source_write>
+      <surface_ids>4 5 6 7 8 9</surface_ids>
+      <max_particles>300</max_particles>
+      <cell>3</cell>
+    </surf_source_write>
+    <seed>1</seed>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/surface_source_write/case-13/results_true.dat b/tests/regression_tests/surface_source_write/case-13/results_true.dat
new file mode 100644
index 000000000..d793a7e42
--- /dev/null
+++ b/tests/regression_tests/surface_source_write/case-13/results_true.dat
@@ -0,0 +1,2 @@
+k-combined:
+4.752377E-02 6.773395E-03
diff --git a/tests/regression_tests/surface_source_write/case-13/surface_source_true.h5 b/tests/regression_tests/surface_source_write/case-13/surface_source_true.h5
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diff --git a/tests/regression_tests/surface_source_write/case-14/inputs_true.dat b/tests/regression_tests/surface_source_write/case-14/inputs_true.dat
new file mode 100644
index 000000000..b4c141b5d
--- /dev/null
+++ b/tests/regression_tests/surface_source_write/case-14/inputs_true.dat
@@ -0,0 +1,49 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material depletable="true" id="1">
+      <density units="g/cm3" value="11.0"/>
+      <nuclide ao="0.0004524" name="U234"/>
+      <nuclide ao="0.0506068" name="U235"/>
+      <nuclide ao="0.948709" name="U238"/>
+      <nuclide ao="0.0002318" name="U236"/>
+      <nuclide ao="2.0" name="O16"/>
+    </material>
+    <material id="2">
+      <density units="g/cm3" value="1.0"/>
+      <nuclide ao="2.0" name="H1"/>
+      <nuclide ao="1.0" name="O16"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="-1 2 -3" universe="1"/>
+    <cell id="2" material="2" region="1 | -2 | 3" universe="1"/>
+    <cell fill="1" id="3" region="-5 4 -7 6 -9 8" universe="2"/>
+    <surface coeffs="0.0 0.0 2.0" id="1" type="z-cylinder"/>
+    <surface coeffs="-2.0" id="2" type="z-plane"/>
+    <surface coeffs="2.0" id="3" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="-3.0" id="4" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="3.0" id="5" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="-3.0" id="6" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="3.0" id="7" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="-3.0" id="8" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="3.0" id="9" type="z-plane"/>
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>5</batches>
+    <inactive>1</inactive>
+    <source particle="neutron" strength="1.0" type="independent">
+      <space type="fission">
+        <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
+      </space>
+    </source>
+    <surf_source_write>
+      <surface_ids>4 5 6 7 8 9</surface_ids>
+      <max_particles>300</max_particles>
+      <cellfrom>3</cellfrom>
+    </surf_source_write>
+    <seed>1</seed>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/surface_source_write/case-14/results_true.dat b/tests/regression_tests/surface_source_write/case-14/results_true.dat
new file mode 100644
index 000000000..d793a7e42
--- /dev/null
+++ b/tests/regression_tests/surface_source_write/case-14/results_true.dat
@@ -0,0 +1,2 @@
+k-combined:
+4.752377E-02 6.773395E-03
diff --git a/tests/regression_tests/surface_source_write/case-14/surface_source_true.h5 b/tests/regression_tests/surface_source_write/case-14/surface_source_true.h5
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HcmV?d00001

diff --git a/tests/regression_tests/surface_source_write/case-15/inputs_true.dat b/tests/regression_tests/surface_source_write/case-15/inputs_true.dat
new file mode 100644
index 000000000..9244d839d
--- /dev/null
+++ b/tests/regression_tests/surface_source_write/case-15/inputs_true.dat
@@ -0,0 +1,49 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material depletable="true" id="1">
+      <density units="g/cm3" value="11.0"/>
+      <nuclide ao="0.0004524" name="U234"/>
+      <nuclide ao="0.0506068" name="U235"/>
+      <nuclide ao="0.948709" name="U238"/>
+      <nuclide ao="0.0002318" name="U236"/>
+      <nuclide ao="2.0" name="O16"/>
+    </material>
+    <material id="2">
+      <density units="g/cm3" value="1.0"/>
+      <nuclide ao="2.0" name="H1"/>
+      <nuclide ao="1.0" name="O16"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="-1 2 -3" universe="1"/>
+    <cell id="2" material="2" region="1 | -2 | 3" universe="1"/>
+    <cell fill="1" id="3" region="-5 4 -7 6 -9 8" universe="2"/>
+    <surface coeffs="0.0 0.0 2.0" id="1" type="z-cylinder"/>
+    <surface coeffs="-2.0" id="2" type="z-plane"/>
+    <surface coeffs="2.0" id="3" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="-3.0" id="4" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="3.0" id="5" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="-3.0" id="6" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="3.0" id="7" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="-3.0" id="8" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="3.0" id="9" type="z-plane"/>
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>5</batches>
+    <inactive>1</inactive>
+    <source particle="neutron" strength="1.0" type="independent">
+      <space type="fission">
+        <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
+      </space>
+    </source>
+    <surf_source_write>
+      <surface_ids>4 5 6 7 8 9</surface_ids>
+      <max_particles>300</max_particles>
+      <cellto>3</cellto>
+    </surf_source_write>
+    <seed>1</seed>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/surface_source_write/case-15/results_true.dat b/tests/regression_tests/surface_source_write/case-15/results_true.dat
new file mode 100644
index 000000000..d793a7e42
--- /dev/null
+++ b/tests/regression_tests/surface_source_write/case-15/results_true.dat
@@ -0,0 +1,2 @@
+k-combined:
+4.752377E-02 6.773395E-03
diff --git a/tests/regression_tests/surface_source_write/case-15/surface_source_true.h5 b/tests/regression_tests/surface_source_write/case-15/surface_source_true.h5
new file mode 100644
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diff --git a/tests/regression_tests/surface_source_write/case-16/inputs_true.dat b/tests/regression_tests/surface_source_write/case-16/inputs_true.dat
new file mode 100644
index 000000000..b3139928a
--- /dev/null
+++ b/tests/regression_tests/surface_source_write/case-16/inputs_true.dat
@@ -0,0 +1,48 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material depletable="true" id="1">
+      <density units="g/cm3" value="11.0"/>
+      <nuclide ao="0.0004524" name="U234"/>
+      <nuclide ao="0.0506068" name="U235"/>
+      <nuclide ao="0.948709" name="U238"/>
+      <nuclide ao="0.0002318" name="U236"/>
+      <nuclide ao="2.0" name="O16"/>
+    </material>
+    <material id="2">
+      <density units="g/cm3" value="1.0"/>
+      <nuclide ao="2.0" name="H1"/>
+      <nuclide ao="1.0" name="O16"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="-1 2 -3" universe="1"/>
+    <cell id="2" material="2" region="1 | -2 | 3" universe="1"/>
+    <cell fill="1" id="3" region="-5 4 -7 6 -9 8" universe="2"/>
+    <surface coeffs="0.0 0.0 2.0" id="1" type="z-cylinder"/>
+    <surface coeffs="-2.0" id="2" type="z-plane"/>
+    <surface coeffs="2.0" id="3" type="z-plane"/>
+    <surface boundary="reflective" coeffs="-3.0" id="4" type="x-plane"/>
+    <surface boundary="reflective" coeffs="3.0" id="5" type="x-plane"/>
+    <surface boundary="reflective" coeffs="-3.0" id="6" type="y-plane"/>
+    <surface boundary="reflective" coeffs="3.0" id="7" type="y-plane"/>
+    <surface boundary="reflective" coeffs="-3.0" id="8" type="z-plane"/>
+    <surface boundary="reflective" coeffs="3.0" id="9" type="z-plane"/>
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>5</batches>
+    <inactive>1</inactive>
+    <source particle="neutron" strength="1.0" type="independent">
+      <space type="fission">
+        <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
+      </space>
+    </source>
+    <surf_source_write>
+      <surface_ids>4 5 6 7 8 9</surface_ids>
+      <max_particles>300</max_particles>
+    </surf_source_write>
+    <seed>1</seed>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/surface_source_write/case-16/results_true.dat b/tests/regression_tests/surface_source_write/case-16/results_true.dat
new file mode 100644
index 000000000..a97be70ca
--- /dev/null
+++ b/tests/regression_tests/surface_source_write/case-16/results_true.dat
@@ -0,0 +1,2 @@
+k-combined:
+1.496403E+00 3.891283E-02
diff --git a/tests/regression_tests/surface_source_write/case-16/surface_source_true.h5 b/tests/regression_tests/surface_source_write/case-16/surface_source_true.h5
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diff --git a/tests/regression_tests/surface_source_write/case-17/inputs_true.dat b/tests/regression_tests/surface_source_write/case-17/inputs_true.dat
new file mode 100644
index 000000000..8fcb01e45
--- /dev/null
+++ b/tests/regression_tests/surface_source_write/case-17/inputs_true.dat
@@ -0,0 +1,49 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material depletable="true" id="1">
+      <density units="g/cm3" value="11.0"/>
+      <nuclide ao="0.0004524" name="U234"/>
+      <nuclide ao="0.0506068" name="U235"/>
+      <nuclide ao="0.948709" name="U238"/>
+      <nuclide ao="0.0002318" name="U236"/>
+      <nuclide ao="2.0" name="O16"/>
+    </material>
+    <material id="2">
+      <density units="g/cm3" value="1.0"/>
+      <nuclide ao="2.0" name="H1"/>
+      <nuclide ao="1.0" name="O16"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="-1 2 -3" universe="1"/>
+    <cell id="2" material="2" region="1 | -2 | 3" universe="1"/>
+    <cell fill="1" id="3" region="-5 4 -7 6 -9 8" universe="2"/>
+    <surface coeffs="0.0 0.0 2.0" id="1" type="z-cylinder"/>
+    <surface coeffs="-2.0" id="2" type="z-plane"/>
+    <surface coeffs="2.0" id="3" type="z-plane"/>
+    <surface boundary="reflective" coeffs="-3.0" id="4" type="x-plane"/>
+    <surface boundary="reflective" coeffs="3.0" id="5" type="x-plane"/>
+    <surface boundary="reflective" coeffs="-3.0" id="6" type="y-plane"/>
+    <surface boundary="reflective" coeffs="3.0" id="7" type="y-plane"/>
+    <surface boundary="reflective" coeffs="-3.0" id="8" type="z-plane"/>
+    <surface boundary="reflective" coeffs="3.0" id="9" type="z-plane"/>
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>5</batches>
+    <inactive>1</inactive>
+    <source particle="neutron" strength="1.0" type="independent">
+      <space type="fission">
+        <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
+      </space>
+    </source>
+    <surf_source_write>
+      <surface_ids>4 5 6 7 8 9</surface_ids>
+      <max_particles>300</max_particles>
+      <cell>3</cell>
+    </surf_source_write>
+    <seed>1</seed>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/surface_source_write/case-17/results_true.dat b/tests/regression_tests/surface_source_write/case-17/results_true.dat
new file mode 100644
index 000000000..a97be70ca
--- /dev/null
+++ b/tests/regression_tests/surface_source_write/case-17/results_true.dat
@@ -0,0 +1,2 @@
+k-combined:
+1.496403E+00 3.891283E-02
diff --git a/tests/regression_tests/surface_source_write/case-17/surface_source_true.h5 b/tests/regression_tests/surface_source_write/case-17/surface_source_true.h5
new file mode 100644
index 0000000000000000000000000000000000000000..35878eecae7d7fcf08cbd53e5db8b2d63e3177d3
GIT binary patch
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literal 0
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diff --git a/tests/regression_tests/surface_source_write/case-18/inputs_true.dat b/tests/regression_tests/surface_source_write/case-18/inputs_true.dat
new file mode 100644
index 000000000..80d6253a1
--- /dev/null
+++ b/tests/regression_tests/surface_source_write/case-18/inputs_true.dat
@@ -0,0 +1,49 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material depletable="true" id="1">
+      <density units="g/cm3" value="11.0"/>
+      <nuclide ao="0.0004524" name="U234"/>
+      <nuclide ao="0.0506068" name="U235"/>
+      <nuclide ao="0.948709" name="U238"/>
+      <nuclide ao="0.0002318" name="U236"/>
+      <nuclide ao="2.0" name="O16"/>
+    </material>
+    <material id="2">
+      <density units="g/cm3" value="1.0"/>
+      <nuclide ao="2.0" name="H1"/>
+      <nuclide ao="1.0" name="O16"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="-1 2 -3" universe="1"/>
+    <cell id="2" material="2" region="1 | -2 | 3" universe="1"/>
+    <cell fill="1" id="3" region="-5 4 -7 6 -9 8" universe="2"/>
+    <surface coeffs="0.0 0.0 2.0" id="1" type="z-cylinder"/>
+    <surface coeffs="-2.0" id="2" type="z-plane"/>
+    <surface coeffs="2.0" id="3" type="z-plane"/>
+    <surface boundary="reflective" coeffs="-3.0" id="4" type="x-plane"/>
+    <surface boundary="reflective" coeffs="3.0" id="5" type="x-plane"/>
+    <surface boundary="reflective" coeffs="-3.0" id="6" type="y-plane"/>
+    <surface boundary="reflective" coeffs="3.0" id="7" type="y-plane"/>
+    <surface boundary="reflective" coeffs="-3.0" id="8" type="z-plane"/>
+    <surface boundary="reflective" coeffs="3.0" id="9" type="z-plane"/>
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>5</batches>
+    <inactive>1</inactive>
+    <source particle="neutron" strength="1.0" type="independent">
+      <space type="fission">
+        <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
+      </space>
+    </source>
+    <surf_source_write>
+      <surface_ids>4 5 6 7 8 9</surface_ids>
+      <max_particles>300</max_particles>
+      <cellfrom>3</cellfrom>
+    </surf_source_write>
+    <seed>1</seed>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/surface_source_write/case-18/results_true.dat b/tests/regression_tests/surface_source_write/case-18/results_true.dat
new file mode 100644
index 000000000..a97be70ca
--- /dev/null
+++ b/tests/regression_tests/surface_source_write/case-18/results_true.dat
@@ -0,0 +1,2 @@
+k-combined:
+1.496403E+00 3.891283E-02
diff --git a/tests/regression_tests/surface_source_write/case-18/surface_source_true.h5 b/tests/regression_tests/surface_source_write/case-18/surface_source_true.h5
new file mode 100644
index 0000000000000000000000000000000000000000..36da9e7a7f7307e5af5221f380b58750742fcc41
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diff --git a/tests/regression_tests/surface_source_write/case-19/inputs_true.dat b/tests/regression_tests/surface_source_write/case-19/inputs_true.dat
new file mode 100644
index 000000000..5355675fe
--- /dev/null
+++ b/tests/regression_tests/surface_source_write/case-19/inputs_true.dat
@@ -0,0 +1,49 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material depletable="true" id="1">
+      <density units="g/cm3" value="11.0"/>
+      <nuclide ao="0.0004524" name="U234"/>
+      <nuclide ao="0.0506068" name="U235"/>
+      <nuclide ao="0.948709" name="U238"/>
+      <nuclide ao="0.0002318" name="U236"/>
+      <nuclide ao="2.0" name="O16"/>
+    </material>
+    <material id="2">
+      <density units="g/cm3" value="1.0"/>
+      <nuclide ao="2.0" name="H1"/>
+      <nuclide ao="1.0" name="O16"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="-1 2 -3" universe="1"/>
+    <cell id="2" material="2" region="1 | -2 | 3" universe="1"/>
+    <cell fill="1" id="3" region="-5 4 -7 6 -9 8" universe="2"/>
+    <surface coeffs="0.0 0.0 2.0" id="1" type="z-cylinder"/>
+    <surface coeffs="-2.0" id="2" type="z-plane"/>
+    <surface coeffs="2.0" id="3" type="z-plane"/>
+    <surface boundary="reflective" coeffs="-3.0" id="4" type="x-plane"/>
+    <surface boundary="reflective" coeffs="3.0" id="5" type="x-plane"/>
+    <surface boundary="reflective" coeffs="-3.0" id="6" type="y-plane"/>
+    <surface boundary="reflective" coeffs="3.0" id="7" type="y-plane"/>
+    <surface boundary="reflective" coeffs="-3.0" id="8" type="z-plane"/>
+    <surface boundary="reflective" coeffs="3.0" id="9" type="z-plane"/>
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>5</batches>
+    <inactive>1</inactive>
+    <source particle="neutron" strength="1.0" type="independent">
+      <space type="fission">
+        <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
+      </space>
+    </source>
+    <surf_source_write>
+      <surface_ids>4 5 6 7 8 9</surface_ids>
+      <max_particles>300</max_particles>
+      <cellto>3</cellto>
+    </surf_source_write>
+    <seed>1</seed>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/surface_source_write/case-19/results_true.dat b/tests/regression_tests/surface_source_write/case-19/results_true.dat
new file mode 100644
index 000000000..a97be70ca
--- /dev/null
+++ b/tests/regression_tests/surface_source_write/case-19/results_true.dat
@@ -0,0 +1,2 @@
+k-combined:
+1.496403E+00 3.891283E-02
diff --git a/tests/regression_tests/surface_source_write/case-19/surface_source_true.h5 b/tests/regression_tests/surface_source_write/case-19/surface_source_true.h5
new file mode 100644
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diff --git a/tests/regression_tests/surface_source_write/case-20/inputs_true.dat b/tests/regression_tests/surface_source_write/case-20/inputs_true.dat
new file mode 100644
index 000000000..44f0d72c7
--- /dev/null
+++ b/tests/regression_tests/surface_source_write/case-20/inputs_true.dat
@@ -0,0 +1,48 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material depletable="true" id="1">
+      <density units="g/cm3" value="11.0"/>
+      <nuclide ao="0.0004524" name="U234"/>
+      <nuclide ao="0.0506068" name="U235"/>
+      <nuclide ao="0.948709" name="U238"/>
+      <nuclide ao="0.0002318" name="U236"/>
+      <nuclide ao="2.0" name="O16"/>
+    </material>
+    <material id="2">
+      <density units="g/cm3" value="1.0"/>
+      <nuclide ao="2.0" name="H1"/>
+      <nuclide ao="1.0" name="O16"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="-1 2 -3" universe="1"/>
+    <cell id="2" material="2" region="1 | -2 | 3" universe="1"/>
+    <cell fill="1" id="3" region="4 -5 6 -7 8 -9" universe="2"/>
+    <surface coeffs="0.0 0.0 2.0" id="1" type="z-cylinder"/>
+    <surface coeffs="-2.0" id="2" type="z-plane"/>
+    <surface coeffs="2.0" id="3" type="z-plane"/>
+    <surface boundary="periodic" coeffs="-3.0" id="4" type="z-plane"/>
+    <surface boundary="periodic" coeffs="3.0" id="5" type="z-plane"/>
+    <surface boundary="reflective" coeffs="-3.0" id="6" type="x-plane"/>
+    <surface boundary="reflective" coeffs="3.0" id="7" type="x-plane"/>
+    <surface boundary="reflective" coeffs="-3.0" id="8" type="y-plane"/>
+    <surface boundary="reflective" coeffs="3.0" id="9" type="y-plane"/>
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>5</batches>
+    <inactive>1</inactive>
+    <source particle="neutron" strength="1.0" type="independent">
+      <space type="fission">
+        <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
+      </space>
+    </source>
+    <surf_source_write>
+      <surface_ids>4</surface_ids>
+      <max_particles>300</max_particles>
+    </surf_source_write>
+    <seed>1</seed>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/surface_source_write/case-20/results_true.dat b/tests/regression_tests/surface_source_write/case-20/results_true.dat
new file mode 100644
index 000000000..7ccce7cc3
--- /dev/null
+++ b/tests/regression_tests/surface_source_write/case-20/results_true.dat
@@ -0,0 +1,2 @@
+k-combined:
+1.149925E+00 2.542255E-01
diff --git a/tests/regression_tests/surface_source_write/case-20/surface_source_true.h5 b/tests/regression_tests/surface_source_write/case-20/surface_source_true.h5
new file mode 100644
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HcmV?d00001

diff --git a/tests/regression_tests/surface_source_write/case-21/inputs_true.dat b/tests/regression_tests/surface_source_write/case-21/inputs_true.dat
new file mode 100644
index 000000000..893b8b5b9
--- /dev/null
+++ b/tests/regression_tests/surface_source_write/case-21/inputs_true.dat
@@ -0,0 +1,49 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material depletable="true" id="1">
+      <density units="g/cm3" value="11.0"/>
+      <nuclide ao="0.0004524" name="U234"/>
+      <nuclide ao="0.0506068" name="U235"/>
+      <nuclide ao="0.948709" name="U238"/>
+      <nuclide ao="0.0002318" name="U236"/>
+      <nuclide ao="2.0" name="O16"/>
+    </material>
+    <material id="2">
+      <density units="g/cm3" value="1.0"/>
+      <nuclide ao="2.0" name="H1"/>
+      <nuclide ao="1.0" name="O16"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="-1 2 -3" universe="1"/>
+    <cell id="2" material="2" region="1 | -2 | 3" universe="1"/>
+    <cell fill="1" id="3" region="4 -5 6 -7 8 -9" universe="2"/>
+    <surface coeffs="0.0 0.0 2.0" id="1" type="z-cylinder"/>
+    <surface coeffs="-2.0" id="2" type="z-plane"/>
+    <surface coeffs="2.0" id="3" type="z-plane"/>
+    <surface boundary="periodic" coeffs="-3.0" id="4" type="z-plane"/>
+    <surface boundary="periodic" coeffs="3.0" id="5" type="z-plane"/>
+    <surface boundary="reflective" coeffs="-3.0" id="6" type="x-plane"/>
+    <surface boundary="reflective" coeffs="3.0" id="7" type="x-plane"/>
+    <surface boundary="reflective" coeffs="-3.0" id="8" type="y-plane"/>
+    <surface boundary="reflective" coeffs="3.0" id="9" type="y-plane"/>
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>5</batches>
+    <inactive>1</inactive>
+    <source particle="neutron" strength="1.0" type="independent">
+      <space type="fission">
+        <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
+      </space>
+    </source>
+    <surf_source_write>
+      <surface_ids>4</surface_ids>
+      <max_particles>300</max_particles>
+      <cell>3</cell>
+    </surf_source_write>
+    <seed>1</seed>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/surface_source_write/case-21/results_true.dat b/tests/regression_tests/surface_source_write/case-21/results_true.dat
new file mode 100644
index 000000000..7ccce7cc3
--- /dev/null
+++ b/tests/regression_tests/surface_source_write/case-21/results_true.dat
@@ -0,0 +1,2 @@
+k-combined:
+1.149925E+00 2.542255E-01
diff --git a/tests/regression_tests/surface_source_write/case-21/surface_source_true.h5 b/tests/regression_tests/surface_source_write/case-21/surface_source_true.h5
new file mode 100644
index 0000000000000000000000000000000000000000..ed87ce849f788a346f99843aa263565fd326040c
GIT binary patch
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diff --git a/tests/regression_tests/surface_source_write/case-a01/inputs_true.dat b/tests/regression_tests/surface_source_write/case-a01/inputs_true.dat
new file mode 100644
index 000000000..a65c9f770
--- /dev/null
+++ b/tests/regression_tests/surface_source_write/case-a01/inputs_true.dat
@@ -0,0 +1,56 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material depletable="true" id="1">
+      <density units="g/cm3" value="11.0"/>
+      <nuclide ao="0.0004524" name="U234"/>
+      <nuclide ao="0.0506068" name="U235"/>
+      <nuclide ao="0.948709" name="U238"/>
+      <nuclide ao="0.0002318" name="U236"/>
+      <nuclide ao="2.0" name="O16"/>
+    </material>
+    <material id="2">
+      <density units="g/cm3" value="1.0"/>
+      <nuclide ao="2.0" name="H1"/>
+      <nuclide ao="1.0" name="O16"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="-1 2 -3" universe="1"/>
+    <cell id="2" material="2" region="1 | -2 | 3" universe="1"/>
+    <cell fill="1" id="3" region="-5 4 -7 6 -9 8" universe="2"/>
+    <cell id="4" material="2" region="-11 10 -13 12 -15 14 (5 | -4 | 7 | -6 | 9 | -8)" universe="2"/>
+    <surface coeffs="0.0 0.0 2.0" id="1" type="z-cylinder"/>
+    <surface coeffs="-2.0" id="2" type="z-plane"/>
+    <surface coeffs="2.0" id="3" type="z-plane"/>
+    <surface coeffs="-3.0" id="4" type="x-plane"/>
+    <surface coeffs="3.0" id="5" type="x-plane"/>
+    <surface coeffs="-3.0" id="6" type="y-plane"/>
+    <surface coeffs="3.0" id="7" type="y-plane"/>
+    <surface coeffs="-3.0" id="8" type="z-plane"/>
+    <surface coeffs="3.0" id="9" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="-4.0" id="10" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="4.0" id="11" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="-4.0" id="12" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="4.0" id="13" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="-4.0" id="14" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="4.0" id="15" type="z-plane"/>
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>5</batches>
+    <inactive>1</inactive>
+    <source particle="neutron" strength="1.0" type="independent">
+      <space type="fission">
+        <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
+      </space>
+    </source>
+    <surf_source_write>
+      <surface_ids>1 2 3</surface_ids>
+      <max_particles>200</max_particles>
+      <cellfrom>2</cellfrom>
+    </surf_source_write>
+    <seed>1</seed>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/surface_source_write/case-a01/results_true.dat b/tests/regression_tests/surface_source_write/case-a01/results_true.dat
new file mode 100644
index 000000000..8979eb554
--- /dev/null
+++ b/tests/regression_tests/surface_source_write/case-a01/results_true.dat
@@ -0,0 +1,2 @@
+k-combined:
+5.169123E-02 9.144814E-03
diff --git a/tests/regression_tests/surface_source_write/case-a01/surface_source_true.h5 b/tests/regression_tests/surface_source_write/case-a01/surface_source_true.h5
new file mode 100644
index 0000000000000000000000000000000000000000..4a86235679085a07458904653a5b63f162059dea
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diff --git a/tests/regression_tests/surface_source_write/case-d01/inputs_true.dat b/tests/regression_tests/surface_source_write/case-d01/inputs_true.dat
new file mode 100644
index 000000000..b6157ba9b
--- /dev/null
+++ b/tests/regression_tests/surface_source_write/case-d01/inputs_true.dat
@@ -0,0 +1,33 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material depletable="true" id="40" name="no-void fuel">
+      <density units="g/cc" value="11"/>
+      <nuclide ao="1.0" name="U235"/>
+    </material>
+    <material id="41" name="water">
+      <density units="g/cc" value="1.0"/>
+      <nuclide ao="2.0" name="H1"/>
+      <nuclide ao="1.0" name="O16"/>
+      <sab name="c_H_in_H2O"/>
+    </material>
+  </materials>
+  <geometry>
+    <dagmc_universe filename="../../dagmc/legacy/dagmc.h5m" id="1"/>
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>5</batches>
+    <inactive>1</inactive>
+    <source particle="neutron" strength="1.0" type="independent">
+      <space type="fission">
+        <parameters>-4 -4 -20 4 4 20</parameters>
+      </space>
+    </source>
+    <surf_source_write>
+      <max_particles>300</max_particles>
+    </surf_source_write>
+    <seed>1</seed>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/surface_source_write/case-d01/results_true.dat b/tests/regression_tests/surface_source_write/case-d01/results_true.dat
new file mode 100644
index 000000000..7fb415cb1
--- /dev/null
+++ b/tests/regression_tests/surface_source_write/case-d01/results_true.dat
@@ -0,0 +1,2 @@
+k-combined:
+9.263843E-01 3.193920E-02
diff --git a/tests/regression_tests/surface_source_write/case-d01/surface_source_true.h5 b/tests/regression_tests/surface_source_write/case-d01/surface_source_true.h5
new file mode 100644
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diff --git a/tests/regression_tests/surface_source_write/case-d02/inputs_true.dat b/tests/regression_tests/surface_source_write/case-d02/inputs_true.dat
new file mode 100644
index 000000000..6877634f1
--- /dev/null
+++ b/tests/regression_tests/surface_source_write/case-d02/inputs_true.dat
@@ -0,0 +1,34 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material depletable="true" id="40" name="no-void fuel">
+      <density units="g/cc" value="11"/>
+      <nuclide ao="1.0" name="U235"/>
+    </material>
+    <material id="41" name="water">
+      <density units="g/cc" value="1.0"/>
+      <nuclide ao="2.0" name="H1"/>
+      <nuclide ao="1.0" name="O16"/>
+      <sab name="c_H_in_H2O"/>
+    </material>
+  </materials>
+  <geometry>
+    <dagmc_universe filename="../../dagmc/legacy/dagmc.h5m" id="1"/>
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>5</batches>
+    <inactive>1</inactive>
+    <source particle="neutron" strength="1.0" type="independent">
+      <space type="fission">
+        <parameters>-4 -4 -20 4 4 20</parameters>
+      </space>
+    </source>
+    <surf_source_write>
+      <surface_ids>1</surface_ids>
+      <max_particles>300</max_particles>
+    </surf_source_write>
+    <seed>1</seed>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/surface_source_write/case-d02/results_true.dat b/tests/regression_tests/surface_source_write/case-d02/results_true.dat
new file mode 100644
index 000000000..7fb415cb1
--- /dev/null
+++ b/tests/regression_tests/surface_source_write/case-d02/results_true.dat
@@ -0,0 +1,2 @@
+k-combined:
+9.263843E-01 3.193920E-02
diff --git a/tests/regression_tests/surface_source_write/case-d02/surface_source_true.h5 b/tests/regression_tests/surface_source_write/case-d02/surface_source_true.h5
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diff --git a/tests/regression_tests/surface_source_write/case-d03/inputs_true.dat b/tests/regression_tests/surface_source_write/case-d03/inputs_true.dat
new file mode 100644
index 000000000..ddcde89e4
--- /dev/null
+++ b/tests/regression_tests/surface_source_write/case-d03/inputs_true.dat
@@ -0,0 +1,34 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material depletable="true" id="40" name="no-void fuel">
+      <density units="g/cc" value="11"/>
+      <nuclide ao="1.0" name="U235"/>
+    </material>
+    <material id="41" name="water">
+      <density units="g/cc" value="1.0"/>
+      <nuclide ao="2.0" name="H1"/>
+      <nuclide ao="1.0" name="O16"/>
+      <sab name="c_H_in_H2O"/>
+    </material>
+  </materials>
+  <geometry>
+    <dagmc_universe filename="../../dagmc/legacy/dagmc.h5m" id="1"/>
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>5</batches>
+    <inactive>1</inactive>
+    <source particle="neutron" strength="1.0" type="independent">
+      <space type="fission">
+        <parameters>-4 -4 -20 4 4 20</parameters>
+      </space>
+    </source>
+    <surf_source_write>
+      <max_particles>300</max_particles>
+      <cell>2</cell>
+    </surf_source_write>
+    <seed>1</seed>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/surface_source_write/case-d03/results_true.dat b/tests/regression_tests/surface_source_write/case-d03/results_true.dat
new file mode 100644
index 000000000..7fb415cb1
--- /dev/null
+++ b/tests/regression_tests/surface_source_write/case-d03/results_true.dat
@@ -0,0 +1,2 @@
+k-combined:
+9.263843E-01 3.193920E-02
diff --git a/tests/regression_tests/surface_source_write/case-d03/surface_source_true.h5 b/tests/regression_tests/surface_source_write/case-d03/surface_source_true.h5
new file mode 100644
index 0000000000000000000000000000000000000000..8435e8f17f4284ea1916ca71e048265aea650f19
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diff --git a/tests/regression_tests/surface_source_write/case-d04/inputs_true.dat b/tests/regression_tests/surface_source_write/case-d04/inputs_true.dat
new file mode 100644
index 000000000..7695ecc79
--- /dev/null
+++ b/tests/regression_tests/surface_source_write/case-d04/inputs_true.dat
@@ -0,0 +1,35 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material depletable="true" id="40" name="no-void fuel">
+      <density units="g/cc" value="11"/>
+      <nuclide ao="1.0" name="U235"/>
+    </material>
+    <material id="41" name="water">
+      <density units="g/cc" value="1.0"/>
+      <nuclide ao="2.0" name="H1"/>
+      <nuclide ao="1.0" name="O16"/>
+      <sab name="c_H_in_H2O"/>
+    </material>
+  </materials>
+  <geometry>
+    <dagmc_universe filename="../../dagmc/legacy/dagmc.h5m" id="1"/>
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>5</batches>
+    <inactive>1</inactive>
+    <source particle="neutron" strength="1.0" type="independent">
+      <space type="fission">
+        <parameters>-4 -4 -20 4 4 20</parameters>
+      </space>
+    </source>
+    <surf_source_write>
+      <surface_ids>1</surface_ids>
+      <max_particles>300</max_particles>
+      <cell>2</cell>
+    </surf_source_write>
+    <seed>1</seed>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/surface_source_write/case-d04/results_true.dat b/tests/regression_tests/surface_source_write/case-d04/results_true.dat
new file mode 100644
index 000000000..7fb415cb1
--- /dev/null
+++ b/tests/regression_tests/surface_source_write/case-d04/results_true.dat
@@ -0,0 +1,2 @@
+k-combined:
+9.263843E-01 3.193920E-02
diff --git a/tests/regression_tests/surface_source_write/case-d04/surface_source_true.h5 b/tests/regression_tests/surface_source_write/case-d04/surface_source_true.h5
new file mode 100644
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diff --git a/tests/regression_tests/surface_source_write/case-d05/inputs_true.dat b/tests/regression_tests/surface_source_write/case-d05/inputs_true.dat
new file mode 100644
index 000000000..865633fbb
--- /dev/null
+++ b/tests/regression_tests/surface_source_write/case-d05/inputs_true.dat
@@ -0,0 +1,34 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material depletable="true" id="40" name="no-void fuel">
+      <density units="g/cc" value="11"/>
+      <nuclide ao="1.0" name="U235"/>
+    </material>
+    <material id="41" name="water">
+      <density units="g/cc" value="1.0"/>
+      <nuclide ao="2.0" name="H1"/>
+      <nuclide ao="1.0" name="O16"/>
+      <sab name="c_H_in_H2O"/>
+    </material>
+  </materials>
+  <geometry>
+    <dagmc_universe filename="../../dagmc/legacy/dagmc.h5m" id="1"/>
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>5</batches>
+    <inactive>1</inactive>
+    <source particle="neutron" strength="1.0" type="independent">
+      <space type="fission">
+        <parameters>-4 -4 -20 4 4 20</parameters>
+      </space>
+    </source>
+    <surf_source_write>
+      <max_particles>300</max_particles>
+      <cellfrom>2</cellfrom>
+    </surf_source_write>
+    <seed>1</seed>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/surface_source_write/case-d05/results_true.dat b/tests/regression_tests/surface_source_write/case-d05/results_true.dat
new file mode 100644
index 000000000..7fb415cb1
--- /dev/null
+++ b/tests/regression_tests/surface_source_write/case-d05/results_true.dat
@@ -0,0 +1,2 @@
+k-combined:
+9.263843E-01 3.193920E-02
diff --git a/tests/regression_tests/surface_source_write/case-d05/surface_source_true.h5 b/tests/regression_tests/surface_source_write/case-d05/surface_source_true.h5
new file mode 100644
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diff --git a/tests/regression_tests/surface_source_write/case-d06/inputs_true.dat b/tests/regression_tests/surface_source_write/case-d06/inputs_true.dat
new file mode 100644
index 000000000..422670736
--- /dev/null
+++ b/tests/regression_tests/surface_source_write/case-d06/inputs_true.dat
@@ -0,0 +1,34 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material depletable="true" id="40" name="no-void fuel">
+      <density units="g/cc" value="11"/>
+      <nuclide ao="1.0" name="U235"/>
+    </material>
+    <material id="41" name="water">
+      <density units="g/cc" value="1.0"/>
+      <nuclide ao="2.0" name="H1"/>
+      <nuclide ao="1.0" name="O16"/>
+      <sab name="c_H_in_H2O"/>
+    </material>
+  </materials>
+  <geometry>
+    <dagmc_universe filename="../../dagmc/legacy/dagmc.h5m" id="1"/>
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>5</batches>
+    <inactive>1</inactive>
+    <source particle="neutron" strength="1.0" type="independent">
+      <space type="fission">
+        <parameters>-4 -4 -20 4 4 20</parameters>
+      </space>
+    </source>
+    <surf_source_write>
+      <max_particles>300</max_particles>
+      <cellto>2</cellto>
+    </surf_source_write>
+    <seed>1</seed>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/surface_source_write/case-d06/results_true.dat b/tests/regression_tests/surface_source_write/case-d06/results_true.dat
new file mode 100644
index 000000000..7fb415cb1
--- /dev/null
+++ b/tests/regression_tests/surface_source_write/case-d06/results_true.dat
@@ -0,0 +1,2 @@
+k-combined:
+9.263843E-01 3.193920E-02
diff --git a/tests/regression_tests/surface_source_write/case-d06/surface_source_true.h5 b/tests/regression_tests/surface_source_write/case-d06/surface_source_true.h5
new file mode 100644
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HcmV?d00001

diff --git a/tests/regression_tests/surface_source_write/case-d07/inputs_true.dat b/tests/regression_tests/surface_source_write/case-d07/inputs_true.dat
new file mode 100644
index 000000000..77498b64d
--- /dev/null
+++ b/tests/regression_tests/surface_source_write/case-d07/inputs_true.dat
@@ -0,0 +1,49 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material depletable="true" id="40" name="no-void fuel">
+      <density units="g/cc" value="11"/>
+      <nuclide ao="1.0" name="U235"/>
+    </material>
+    <material id="41" name="water">
+      <density units="g/cc" value="1.0"/>
+      <nuclide ao="2.0" name="H1"/>
+      <nuclide ao="1.0" name="O16"/>
+      <sab name="c_H_in_H2O"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell fill="1" id="8" region="101 -102 103 -104 105 -106" universe="2"/>
+    <cell id="9" material="41" region="107 -108 109 -110 111 -112 (-101 | 102 | -103 | 104 | -105 | 106)" universe="2"/>
+    <dagmc_universe filename="../../dagmc/legacy/dagmc.h5m" id="1"/>
+    <surface coeffs="-22.0" id="101" type="z-plane"/>
+    <surface coeffs="22.0" id="102" type="z-plane"/>
+    <surface coeffs="-22.0" id="103" type="x-plane"/>
+    <surface coeffs="22.0" id="104" type="x-plane"/>
+    <surface coeffs="-22.0" id="105" type="y-plane"/>
+    <surface coeffs="22.0" id="106" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="-24.0" id="107" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="24.0" id="108" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="-24.0" id="109" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="24.0" id="110" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="-24.0" id="111" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="24.0" id="112" type="y-plane"/>
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>5</batches>
+    <inactive>1</inactive>
+    <source particle="neutron" strength="1.0" type="independent">
+      <space type="fission">
+        <parameters>-4 -4 -20 4 4 20</parameters>
+      </space>
+    </source>
+    <surf_source_write>
+      <surface_ids>101 102 103 104 105 106</surface_ids>
+      <max_particles>300</max_particles>
+      <cell>7</cell>
+    </surf_source_write>
+    <seed>1</seed>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/surface_source_write/case-d07/results_true.dat b/tests/regression_tests/surface_source_write/case-d07/results_true.dat
new file mode 100644
index 000000000..63ea1a64d
--- /dev/null
+++ b/tests/regression_tests/surface_source_write/case-d07/results_true.dat
@@ -0,0 +1,2 @@
+k-combined:
+9.756086E-01 4.639209E-02
diff --git a/tests/regression_tests/surface_source_write/case-d07/surface_source_true.h5 b/tests/regression_tests/surface_source_write/case-d07/surface_source_true.h5
new file mode 100644
index 0000000000000000000000000000000000000000..0332f2dcfb100123fe3a4ee3a47f690be2af1bab
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diff --git a/tests/regression_tests/surface_source_write/case-d08/inputs_true.dat b/tests/regression_tests/surface_source_write/case-d08/inputs_true.dat
new file mode 100644
index 000000000..561a38337
--- /dev/null
+++ b/tests/regression_tests/surface_source_write/case-d08/inputs_true.dat
@@ -0,0 +1,49 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material depletable="true" id="40" name="no-void fuel">
+      <density units="g/cc" value="11"/>
+      <nuclide ao="1.0" name="U235"/>
+    </material>
+    <material id="41" name="water">
+      <density units="g/cc" value="1.0"/>
+      <nuclide ao="2.0" name="H1"/>
+      <nuclide ao="1.0" name="O16"/>
+      <sab name="c_H_in_H2O"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell fill="1" id="8" region="101 -102 103 -104 105 -106" universe="2"/>
+    <cell id="9" material="41" region="107 -108 109 -110 111 -112 (-101 | 102 | -103 | 104 | -105 | 106)" universe="2"/>
+    <dagmc_universe filename="../../dagmc/legacy/dagmc.h5m" id="1"/>
+    <surface coeffs="-22.0" id="101" type="z-plane"/>
+    <surface coeffs="22.0" id="102" type="z-plane"/>
+    <surface coeffs="-22.0" id="103" type="x-plane"/>
+    <surface coeffs="22.0" id="104" type="x-plane"/>
+    <surface coeffs="-22.0" id="105" type="y-plane"/>
+    <surface coeffs="22.0" id="106" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="-24.0" id="107" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="24.0" id="108" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="-24.0" id="109" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="24.0" id="110" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="-24.0" id="111" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="24.0" id="112" type="y-plane"/>
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>5</batches>
+    <inactive>1</inactive>
+    <source particle="neutron" strength="1.0" type="independent">
+      <space type="fission">
+        <parameters>-4 -4 -20 4 4 20</parameters>
+      </space>
+    </source>
+    <surf_source_write>
+      <surface_ids>101 102 103 104 105 106</surface_ids>
+      <max_particles>300</max_particles>
+      <cell>8</cell>
+    </surf_source_write>
+    <seed>1</seed>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/surface_source_write/case-d08/results_true.dat b/tests/regression_tests/surface_source_write/case-d08/results_true.dat
new file mode 100644
index 000000000..63ea1a64d
--- /dev/null
+++ b/tests/regression_tests/surface_source_write/case-d08/results_true.dat
@@ -0,0 +1,2 @@
+k-combined:
+9.756086E-01 4.639209E-02
diff --git a/tests/regression_tests/surface_source_write/case-d08/surface_source_true.h5 b/tests/regression_tests/surface_source_write/case-d08/surface_source_true.h5
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HcmV?d00001

diff --git a/tests/regression_tests/surface_source_write/case-e01/inputs_true.dat b/tests/regression_tests/surface_source_write/case-e01/inputs_true.dat
new file mode 100644
index 000000000..99a5a2899
--- /dev/null
+++ b/tests/regression_tests/surface_source_write/case-e01/inputs_true.dat
@@ -0,0 +1,56 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material depletable="true" id="1">
+      <density units="g/cm3" value="11.0"/>
+      <nuclide ao="0.0004524" name="U234"/>
+      <nuclide ao="0.0506068" name="U235"/>
+      <nuclide ao="0.948709" name="U238"/>
+      <nuclide ao="0.0002318" name="U236"/>
+      <nuclide ao="2.0" name="O16"/>
+    </material>
+    <material id="2">
+      <density units="g/cm3" value="1.0"/>
+      <nuclide ao="2.0" name="H1"/>
+      <nuclide ao="1.0" name="O16"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="-1 2 -3" universe="1"/>
+    <cell id="2" material="2" region="1 | -2 | 3" universe="1"/>
+    <cell fill="1" id="3" region="-5 4 -7 6 -9 8" universe="2"/>
+    <cell id="4" material="2" region="-11 10 -13 12 -15 14 (5 | -4 | 7 | -6 | 9 | -8)" universe="2"/>
+    <surface coeffs="0.0 0.0 2.0" id="1" type="z-cylinder"/>
+    <surface coeffs="-2.0" id="2" type="z-plane"/>
+    <surface coeffs="2.0" id="3" type="z-plane"/>
+    <surface coeffs="-3.0" id="4" type="x-plane"/>
+    <surface coeffs="3.0" id="5" type="x-plane"/>
+    <surface coeffs="-3.0" id="6" type="y-plane"/>
+    <surface coeffs="3.0" id="7" type="y-plane"/>
+    <surface coeffs="-3.0" id="8" type="z-plane"/>
+    <surface coeffs="3.0" id="9" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="-4.0" id="10" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="4.0" id="11" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="-4.0" id="12" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="4.0" id="13" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="-4.0" id="14" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="4.0" id="15" type="z-plane"/>
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>5</batches>
+    <inactive>1</inactive>
+    <source particle="neutron" strength="1.0" type="independent">
+      <space type="fission">
+        <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
+      </space>
+    </source>
+    <surf_source_write>
+      <surface_ids>4 5 6 7 8 9</surface_ids>
+      <max_particles>300</max_particles>
+      <cell>2</cell>
+    </surf_source_write>
+    <seed>1</seed>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/surface_source_write/case-e01/results_true.dat b/tests/regression_tests/surface_source_write/case-e01/results_true.dat
new file mode 100644
index 000000000..8979eb554
--- /dev/null
+++ b/tests/regression_tests/surface_source_write/case-e01/results_true.dat
@@ -0,0 +1,2 @@
+k-combined:
+5.169123E-02 9.144814E-03
diff --git a/tests/regression_tests/surface_source_write/case-e01/surface_source_true.h5 b/tests/regression_tests/surface_source_write/case-e01/surface_source_true.h5
new file mode 100644
index 0000000000000000000000000000000000000000..3047519e8c52b140a4756266192c9d81c7d204fb
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diff --git a/tests/regression_tests/surface_source_write/case-e02/inputs_true.dat b/tests/regression_tests/surface_source_write/case-e02/inputs_true.dat
new file mode 100644
index 000000000..ff73358ca
--- /dev/null
+++ b/tests/regression_tests/surface_source_write/case-e02/inputs_true.dat
@@ -0,0 +1,55 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material depletable="true" id="1">
+      <density units="g/cm3" value="11.0"/>
+      <nuclide ao="0.0004524" name="U234"/>
+      <nuclide ao="0.0506068" name="U235"/>
+      <nuclide ao="0.948709" name="U238"/>
+      <nuclide ao="0.0002318" name="U236"/>
+      <nuclide ao="2.0" name="O16"/>
+    </material>
+    <material id="2">
+      <density units="g/cm3" value="1.0"/>
+      <nuclide ao="2.0" name="H1"/>
+      <nuclide ao="1.0" name="O16"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="-1 2 -3" universe="1"/>
+    <cell id="2" material="2" region="1 | -2 | 3" universe="1"/>
+    <cell fill="1" id="3" region="-5 4 -7 6 -9 8" universe="2"/>
+    <cell id="4" material="2" region="-11 10 -13 12 -15 14 (5 | -4 | 7 | -6 | 9 | -8)" universe="2"/>
+    <surface coeffs="0.0 0.0 2.0" id="1" type="z-cylinder"/>
+    <surface coeffs="-2.0" id="2" type="z-plane"/>
+    <surface coeffs="2.0" id="3" type="z-plane"/>
+    <surface coeffs="-3.0" id="4" type="x-plane"/>
+    <surface coeffs="3.0" id="5" type="x-plane"/>
+    <surface coeffs="-3.0" id="6" type="y-plane"/>
+    <surface coeffs="3.0" id="7" type="y-plane"/>
+    <surface coeffs="-3.0" id="8" type="z-plane"/>
+    <surface coeffs="3.0" id="9" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="-4.0" id="10" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="4.0" id="11" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="-4.0" id="12" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="4.0" id="13" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="-4.0" id="14" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="4.0" id="15" type="z-plane"/>
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>5</batches>
+    <inactive>1</inactive>
+    <source particle="neutron" strength="1.0" type="independent">
+      <space type="fission">
+        <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
+      </space>
+    </source>
+    <surf_source_write>
+      <max_particles>300</max_particles>
+      <cell>3</cell>
+    </surf_source_write>
+    <seed>1</seed>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/surface_source_write/case-e02/results_true.dat b/tests/regression_tests/surface_source_write/case-e02/results_true.dat
new file mode 100644
index 000000000..8979eb554
--- /dev/null
+++ b/tests/regression_tests/surface_source_write/case-e02/results_true.dat
@@ -0,0 +1,2 @@
+k-combined:
+5.169123E-02 9.144814E-03
diff --git a/tests/regression_tests/surface_source_write/case-e02/surface_source_true.h5 b/tests/regression_tests/surface_source_write/case-e02/surface_source_true.h5
new file mode 100644
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diff --git a/tests/regression_tests/surface_source_write/case-e03/inputs_true.dat b/tests/regression_tests/surface_source_write/case-e03/inputs_true.dat
new file mode 100644
index 000000000..a3421298b
--- /dev/null
+++ b/tests/regression_tests/surface_source_write/case-e03/inputs_true.dat
@@ -0,0 +1,49 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material depletable="true" id="1">
+      <density units="g/cm3" value="11.0"/>
+      <nuclide ao="0.0004524" name="U234"/>
+      <nuclide ao="0.0506068" name="U235"/>
+      <nuclide ao="0.948709" name="U238"/>
+      <nuclide ao="0.0002318" name="U236"/>
+      <nuclide ao="2.0" name="O16"/>
+    </material>
+    <material id="2">
+      <density units="g/cm3" value="1.0"/>
+      <nuclide ao="2.0" name="H1"/>
+      <nuclide ao="1.0" name="O16"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="-1 2 -3" universe="1"/>
+    <cell id="2" material="2" region="1 | -2 | 3" universe="1"/>
+    <cell fill="1" id="3" region="-5 4 -7 6 -9 8" universe="2"/>
+    <surface coeffs="0.0 0.0 2.0" id="1" type="z-cylinder"/>
+    <surface coeffs="-2.0" id="2" type="z-plane"/>
+    <surface coeffs="2.0" id="3" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="-3.0" id="4" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="3.0" id="5" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="-3.0" id="6" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="3.0" id="7" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="-3.0" id="8" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="3.0" id="9" type="z-plane"/>
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>5</batches>
+    <inactive>1</inactive>
+    <source particle="neutron" strength="1.0" type="independent">
+      <space type="fission">
+        <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
+      </space>
+    </source>
+    <surf_source_write>
+      <surface_ids>4 5 6 7 8 9</surface_ids>
+      <max_particles>300</max_particles>
+      <cell>3</cell>
+    </surf_source_write>
+    <seed>1</seed>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/surface_source_write/case-e03/results_true.dat b/tests/regression_tests/surface_source_write/case-e03/results_true.dat
new file mode 100644
index 000000000..d793a7e42
--- /dev/null
+++ b/tests/regression_tests/surface_source_write/case-e03/results_true.dat
@@ -0,0 +1,2 @@
+k-combined:
+4.752377E-02 6.773395E-03
diff --git a/tests/regression_tests/surface_source_write/case-e03/surface_source_true.h5 b/tests/regression_tests/surface_source_write/case-e03/surface_source_true.h5
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HcmV?d00001

diff --git a/tests/regression_tests/surface_source_write/test.py b/tests/regression_tests/surface_source_write/test.py
new file mode 100644
index 000000000..f949d8085
--- /dev/null
+++ b/tests/regression_tests/surface_source_write/test.py
@@ -0,0 +1,1126 @@
+"""Test the 'surface_source_write' setting.
+
+Results
+-------
+
+All results are generated using only 1 MPI process.
+
+All results are generated using 1 thread except for "test_consistency_low_realization_number".
+This specific test verifies that when the number of realization (i.e., point being candidate
+to be stored) is lower than the capacity, results are reproducible even with multiple
+threads (i.e., there is no potential thread competition that would produce different
+results in that case).
+
+All results are generated using the history-based mode except for cases e01 to e03.
+
+All results are visually verified using the '_visualize.py' script in the regression test folder.
+
+OpenMC models
+-------------
+
+Four OpenMC models with CSG-only geometries are used to cover the transmission, vacuum,
+reflective and periodic Boundary Conditions (BC):
+
+- model_1: cylindrical core in 2 boxes (vacuum and transmission BC),
+- model_2: cylindrical core in 1 box (vacuum BC),
+- model_3: cylindrical core in 1 box (reflective BC),
+- model_4: cylindrical core in 1 box (periodic BC).
+
+Two models including DAGMC geometries are also used, based on the mesh file 'dagmc.h5m'
+available from tests/regression_tests/dagmc/legacy:
+
+- model_dagmc_1: model adapted from tests/regression_tests/dagmc/legacy,
+- model_dagmc_2: model_dagmc_1 contained in two CSG boxes to introduce multiple level of coordinates.
+
+Test cases
+----------
+
+Test cases using CSG-only geometries:
+
+========  =======  =========  =========================  =====  ===================================
+Folder    Model    Surface    Cell                       BC*    Expected particles
+========  =======  =========  =========================  =====  ===================================
+case-01   model_1  No         No                         T+V    Particles crossing any surface in
+                                                                the model
+case-02   model_1  1          No                         T      Particles crossing this surface
+                                                                only
+case-03   model_1  Multiple   No                         T      Particles crossing the declared
+                                                                surfaces
+case-04   model_1  Multiple   cell (lower universe)      T      Particles crossing the declared
+                                                                surfaces that come from or are
+                                                                coming to the cell
+case-05   model_1  Multiple   cell (root universe)       T      Particles crossing the declared
+                                                                surfaces that come from or are
+                                                                coming to the cell
+case-06   model_1  No         cell (lower universe)      T      Particles crossing any surface that
+                                                                come from or are coming to the cell
+case-07   model_1  No         cell (root universe)       T      Particles crossing any surface that
+                                                                come from or are coming to the cell
+case-08   model_1  No         cellfrom (lower universe)  T      Particles crossing any surface that
+                                                                come from the cell
+case-09   model_1  No         cellto (lower universe)    T      Particles crossing any surface that
+                                                                are coming to the cell
+case-10   model_1  No         cellfrom (root universe)   T      Particles crossing any surface that
+                                                                come from the cell
+case-11   model_1  No         cellto (root universe)     T      Particles crossing any surface that
+                                                                are coming to the cell
+case-12   model_2  Multiple   No                         V      Particles crossing the declared
+                                                                surfaces
+case-13   model_2  Multiple   cell (root universe)       V      Particles crossing any surface that
+                                                                come from or are coming to the cell
+case-14   model_2  Multiple   cellfrom (root universe)   V      Particles crossing any surface that
+                                                                are coming to the cell
+case-15   model_2  Multiple   cellto (root universe)     V      None
+case-16   model_3  Multiple   No                         R      Particles crossing the declared
+                                                                surfaces
+case-17   model_3  Multiple   cell (root universe)       R      None
+case-18   model_3  Multiple   cellfrom (root universe)   R      None
+case-19   model_3  Multiple   cellto (root universe)     R      None
+case-20   model_4  1          No                         P+R    Particles crossing the declared
+                                                                periodic surface
+case-21   model_4  1          cell (root universe)       P+R    None
+========  =======  =========  =========================  =====  ===================================
+
+*: BC stands for Boundary Conditions, T for Transmission, R for Reflective, and V for Vacuum.
+
+An additional case, called 'case-a01', is used to check that the results are comparable when
+the number of threads is set to 2 if the number of realization is lower than the capacity.
+
+Cases e01 to e03 are the event-based cases corresponding to the history-based cases 04, 07 and 13,
+respectively.
+
+Test cases using DAGMC geometries:
+
+========  =============  =========  =====================  =====  ===================================
+Folder    Model          Surface    Cell                   BC*    Expected particles
+========  =============  =========  =====================  =====  ===================================
+case-d01  model_dagmc_1  No         No                     T+V    Particles crossing any surface in
+                                                                  the model
+case-d02  model_dagmc_1  1          No                     T      Particles crossing this surface
+                                                                  only
+case-d03  model_dagmc_1  No         cell                   T      Particles crossing any surface that
+                                                                  come from or are coming to the cell
+case-d04  model_dagmc_1  1          cell                   T      Particles crossing the declared
+                                                                  surface that come from or are
+                                                                  coming to the cell
+case-d05  model_dagmc_1  No         cellfrom               T      Particles crossing any surface that
+                                                                  come from the cell
+case-d06  model_dagmc_1  No         cellto                 T      Particles crossing any surface that
+                                                                  are coming to the cell
+case-d07  model_dagmc_2  Multiple   cell (lower universe)  T      Particles crossing the declared
+                                                                  surfaces that come from or are
+                                                                  coming to the cell
+case-d08  model_dagmc_2  Multiple   cell (root universe)   T      Particles crossing the declared
+                                                                  surfaces that come from or are
+                                                                  coming to the cell
+========  =============  =========  =====================  =====  ===================================
+
+*: BC stands for Boundary Conditions, T for Transmission, and V for Vacuum.
+
+Notes:
+
+- The test cases list is non-exhaustive compared to the number of possible combinations.
+  Test cases have been selected based on use and internal code logic.
+- Cases 08 to 11 are testing that the feature still works even if the level of coordinates
+  before and after crossing a surface is different,
+- Tests on boundary conditions are not performed on DAGMC models as the logic is shared
+  with CSG-only models,
+- Cases that should return an error are tested in the 'test_exceptions' unit test
+  from 'unit_tests/surface_source_write/test.py'.
+
+TODO:
+
+- Test with a lattice.
+
+"""
+
+import os
+import shutil
+from pathlib import Path
+
+import h5py
+import numpy as np
+import openmc
+import openmc.lib
+import pytest
+
+from tests.testing_harness import PyAPITestHarness
+from tests.regression_tests import config
+
+
+@pytest.fixture(scope="function")
+def single_thread(monkeypatch):
+    """Set the number of OMP threads to 1 for the test."""
+    monkeypatch.setenv("OMP_NUM_THREADS", "1")
+
+
+@pytest.fixture(scope="function")
+def two_threads(monkeypatch):
+    """Set the number of OMP threads to 2 for the test."""
+    monkeypatch.setenv("OMP_NUM_THREADS", "2")
+
+
+@pytest.fixture(scope="function")
+def single_process(monkeypatch):
+    """Set the number of MPI process to 1 for the test."""
+    monkeypatch.setitem(config, "mpi_np", "1")
+
+
+@pytest.fixture(scope="module")
+def model_1():
+    """Cylindrical core contained in a first box which is contained in a larger box.
+    A lower universe is used to describe the interior of the first box which
+    contains the core and its surrounding space.
+
+    """
+    openmc.reset_auto_ids()
+    model = openmc.Model()
+
+    # =============================================================================
+    # Materials
+    # =============================================================================
+
+    fuel = openmc.Material()
+    fuel.add_nuclide("U234", 0.0004524)
+    fuel.add_nuclide("U235", 0.0506068)
+    fuel.add_nuclide("U238", 0.9487090)
+    fuel.add_nuclide("U236", 0.0002318)
+    fuel.add_nuclide("O16", 2.0)
+    fuel.set_density("g/cm3", 11.0)
+
+    water = openmc.Material()
+    water.add_nuclide("H1", 2.0)
+    water.add_nuclide("O16", 1.0)
+    water.set_density("g/cm3", 1.0)
+
+    # =============================================================================
+    # Geometry
+    # =============================================================================
+
+    # -----------------------------------------------------------------------------
+    # Cylindrical core
+    # -----------------------------------------------------------------------------
+
+    # Parameters
+    core_radius = 2.0
+    core_height = 4.0
+
+    # Surfaces
+    core_cylinder = openmc.ZCylinder(r=core_radius)
+    core_lower_plane = openmc.ZPlane(-core_height / 2.0)
+    core_upper_plane = openmc.ZPlane(core_height / 2.0)
+
+    # Region
+    core_region = -core_cylinder & +core_lower_plane & -core_upper_plane
+
+    # Cells
+    core = openmc.Cell(fill=fuel, region=core_region)
+    outside_core_region = +core_cylinder | -core_lower_plane | +core_upper_plane
+    outside_core = openmc.Cell(fill=water, region=outside_core_region)
+
+    # Universe
+    inside_box1_universe = openmc.Universe(cells=[core, outside_core])
+
+    # -----------------------------------------------------------------------------
+    # Box 1
+    # -----------------------------------------------------------------------------
+
+    # Parameters
+    box1_size = 6.0
+
+    # Surfaces
+    box1_rpp = openmc.model.RectangularParallelepiped(
+        -box1_size / 2.0, box1_size / 2.0,
+        -box1_size / 2.0, box1_size / 2.0,
+        -box1_size / 2.0, box1_size / 2.0,
+    )
+
+    # Cell
+    box1 = openmc.Cell(fill=inside_box1_universe, region=-box1_rpp)
+
+    # -----------------------------------------------------------------------------
+    # Box 2
+    # -----------------------------------------------------------------------------
+
+    # Parameters
+    box2_size = 8
+
+    # Surfaces
+    box2_rpp = openmc.model.RectangularParallelepiped(
+        -box2_size / 2.0, box2_size / 2.0,
+        -box2_size / 2.0, box2_size / 2.0,
+        -box2_size / 2.0, box2_size / 2.0,
+        boundary_type="vacuum"
+    )
+
+    # Cell
+    box2 = openmc.Cell(fill=water, region=-box2_rpp & +box1_rpp)
+
+    # Register geometry
+    model.geometry = openmc.Geometry([box1, box2])
+
+    # =============================================================================
+    # Settings
+    # =============================================================================
+
+    model.settings = openmc.Settings()
+    model.settings.particles = 100
+    model.settings.batches = 5
+    model.settings.inactive = 1
+    model.settings.seed = 1
+
+    bounds = [
+        -core_radius,
+        -core_radius,
+        -core_height / 2.0,
+        core_radius,
+        core_radius,
+        core_height / 2.0,
+    ]
+    distribution = openmc.stats.Box(bounds[:3], bounds[3:], only_fissionable=True)
+    model.settings.source = openmc.IndependentSource(space=distribution)
+
+    return model
+
+
+@pytest.fixture
+def model_2():
+    """Cylindrical core contained in a box.
+    A lower universe is used to describe the interior of the box which
+    contains the core and its surrounding space.
+
+    The box is defined with vacuum boundary conditions.
+
+    """
+    openmc.reset_auto_ids()
+    model = openmc.Model()
+
+    # =============================================================================
+    # Materials
+    # =============================================================================
+
+    fuel = openmc.Material()
+    fuel.add_nuclide("U234", 0.0004524)
+    fuel.add_nuclide("U235", 0.0506068)
+    fuel.add_nuclide("U238", 0.9487090)
+    fuel.add_nuclide("U236", 0.0002318)
+    fuel.add_nuclide("O16", 2.0)
+    fuel.set_density("g/cm3", 11.0)
+
+    water = openmc.Material()
+    water.add_nuclide("H1", 2.0)
+    water.add_nuclide("O16", 1.0)
+    water.set_density("g/cm3", 1.0)
+
+    # =============================================================================
+    # Geometry
+    # =============================================================================
+
+    # -----------------------------------------------------------------------------
+    # Cylindrical core
+    # -----------------------------------------------------------------------------
+
+    # Parameters
+    core_radius = 2.0
+    core_height = 4.0
+
+    # Surfaces
+    core_cylinder = openmc.ZCylinder(r=core_radius)
+    core_lower_plane = openmc.ZPlane(-core_height / 2.0)
+    core_upper_plane = openmc.ZPlane(core_height / 2.0)
+
+    # Region
+    core_region = -core_cylinder & +core_lower_plane & -core_upper_plane
+
+    # Cells
+    core = openmc.Cell(fill=fuel, region=core_region)
+    outside_core_region = +core_cylinder | -core_lower_plane | +core_upper_plane
+    outside_core = openmc.Cell(fill=water, region=outside_core_region)
+
+    # Universe
+    inside_box1_universe = openmc.Universe(cells=[core, outside_core])
+
+    # -----------------------------------------------------------------------------
+    # Box 1
+    # -----------------------------------------------------------------------------
+
+    # Parameters
+    box1_size = 6.0
+
+    # Surfaces
+    box1_rpp = openmc.model.RectangularParallelepiped(
+        -box1_size / 2.0, box1_size / 2.0,
+        -box1_size / 2.0, box1_size / 2.0,
+        -box1_size / 2.0, box1_size / 2.0,
+        boundary_type="vacuum"
+    )
+
+    # Cell
+    box1 = openmc.Cell(fill=inside_box1_universe, region=-box1_rpp)
+
+    # Register geometry
+    model.geometry = openmc.Geometry([box1])
+
+    # =============================================================================
+    # Settings
+    # =============================================================================
+
+    model.settings = openmc.Settings()
+    model.settings.particles = 100
+    model.settings.batches = 5
+    model.settings.inactive = 1
+    model.settings.seed = 1
+
+    bounds = [
+        -core_radius,
+        -core_radius,
+        -core_height / 2.0,
+        core_radius,
+        core_radius,
+        core_height / 2.0,
+    ]
+    distribution = openmc.stats.Box(bounds[:3], bounds[3:], only_fissionable=True)
+    model.settings.source = openmc.IndependentSource(space=distribution)
+
+    return model
+
+
+@pytest.fixture
+def model_3():
+    """Cylindrical core contained in a box.
+    A lower universe is used to describe the interior of the box which
+    contains the core and its surrounding space.
+
+    The box is defined with reflective boundary conditions.
+
+    """
+    openmc.reset_auto_ids()
+    model = openmc.Model()
+
+    # =============================================================================
+    # Materials
+    # =============================================================================
+
+    fuel = openmc.Material()
+    fuel.add_nuclide("U234", 0.0004524)
+    fuel.add_nuclide("U235", 0.0506068)
+    fuel.add_nuclide("U238", 0.9487090)
+    fuel.add_nuclide("U236", 0.0002318)
+    fuel.add_nuclide("O16", 2.0)
+    fuel.set_density("g/cm3", 11.0)
+
+    water = openmc.Material()
+    water.add_nuclide("H1", 2.0)
+    water.add_nuclide("O16", 1.0)
+    water.set_density("g/cm3", 1.0)
+
+    # =============================================================================
+    # Geometry
+    # =============================================================================
+
+    # -----------------------------------------------------------------------------
+    # Cylindrical core
+    # -----------------------------------------------------------------------------
+
+    # Parameters
+    core_radius = 2.0
+    core_height = 4.0
+
+    # Surfaces
+    core_cylinder = openmc.ZCylinder(r=core_radius)
+    core_lower_plane = openmc.ZPlane(-core_height / 2.0)
+    core_upper_plane = openmc.ZPlane(core_height / 2.0)
+
+    # Region
+    core_region = -core_cylinder & +core_lower_plane & -core_upper_plane
+
+    # Cells
+    core = openmc.Cell(fill=fuel, region=core_region)
+    outside_core_region = +core_cylinder | -core_lower_plane | +core_upper_plane
+    outside_core = openmc.Cell(fill=water, region=outside_core_region)
+
+    # Universe
+    inside_box1_universe = openmc.Universe(cells=[core, outside_core])
+
+    # -----------------------------------------------------------------------------
+    # Box 1
+    # -----------------------------------------------------------------------------
+
+    # Parameters
+    box1_size = 6.0
+
+    # Surfaces
+    box1_rpp = openmc.model.RectangularParallelepiped(
+        -box1_size / 2.0, box1_size / 2.0,
+        -box1_size / 2.0, box1_size / 2.0,
+        -box1_size / 2.0, box1_size / 2.0,
+        boundary_type="reflective"
+    )
+
+    # Cell
+    box1 = openmc.Cell(fill=inside_box1_universe, region=-box1_rpp)
+
+    # Register geometry
+    model.geometry = openmc.Geometry([box1])
+
+    # =============================================================================
+    # Settings
+    # =============================================================================
+
+    model.settings = openmc.Settings()
+    model.settings.particles = 100
+    model.settings.batches = 5
+    model.settings.inactive = 1
+    model.settings.seed = 1
+
+    bounds = [
+        -core_radius,
+        -core_radius,
+        -core_height / 2.0,
+        core_radius,
+        core_radius,
+        core_height / 2.0,
+    ]
+    distribution = openmc.stats.Box(bounds[:3], bounds[3:], only_fissionable=True)
+    model.settings.source = openmc.IndependentSource(space=distribution)
+
+    return model
+
+
+@pytest.fixture
+def model_4():
+    """Cylindrical core contained in a box.
+    A lower universe is used to describe the interior of the box which
+    contains the core and its surrounding space.
+
+    The box is defined with a pair of periodic boundary with reflective
+    boundaries.
+
+    """
+    openmc.reset_auto_ids()
+    model = openmc.Model()
+
+    # =============================================================================
+    # Materials
+    # =============================================================================
+
+    fuel = openmc.Material()
+    fuel.add_nuclide("U234", 0.0004524)
+    fuel.add_nuclide("U235", 0.0506068)
+    fuel.add_nuclide("U238", 0.9487090)
+    fuel.add_nuclide("U236", 0.0002318)
+    fuel.add_nuclide("O16", 2.0)
+    fuel.set_density("g/cm3", 11.0)
+
+    water = openmc.Material()
+    water.add_nuclide("H1", 2.0)
+    water.add_nuclide("O16", 1.0)
+    water.set_density("g/cm3", 1.0)
+
+    # =============================================================================
+    # Geometry
+    # =============================================================================
+
+    # -----------------------------------------------------------------------------
+    # Cylindrical core
+    # -----------------------------------------------------------------------------
+
+    # Parameters
+    core_radius = 2.0
+    core_height = 4.0
+
+    # Surfaces
+    core_cylinder = openmc.ZCylinder(r=core_radius)
+    core_lower_plane = openmc.ZPlane(-core_height / 2.0)
+    core_upper_plane = openmc.ZPlane(core_height / 2.0)
+
+    # Region
+    core_region = -core_cylinder & +core_lower_plane & -core_upper_plane
+
+    # Cells
+    core = openmc.Cell(fill=fuel, region=core_region)
+    outside_core_region = +core_cylinder | -core_lower_plane | +core_upper_plane
+    outside_core = openmc.Cell(fill=water, region=outside_core_region)
+
+    # Universe
+    inside_box1_universe = openmc.Universe(cells=[core, outside_core])
+
+    # -----------------------------------------------------------------------------
+    # Box 1
+    # -----------------------------------------------------------------------------
+
+    # Parameters
+    box1_size = 6.0
+
+    # Surfaces
+    box1_lower_plane = openmc.ZPlane(-box1_size / 2.0, boundary_type="periodic")
+    box1_upper_plane = openmc.ZPlane(box1_size / 2.0, boundary_type="periodic")
+    box1_left_plane = openmc.XPlane(-box1_size / 2.0, boundary_type="reflective")
+    box1_right_plane = openmc.XPlane(box1_size / 2.0, boundary_type="reflective")
+    box1_rear_plane = openmc.YPlane(-box1_size / 2.0, boundary_type="reflective")
+    box1_front_plane = openmc.YPlane(box1_size / 2.0, boundary_type="reflective")
+
+    # Region
+    box1_region = (
+        +box1_lower_plane
+        & -box1_upper_plane
+        & +box1_left_plane
+        & -box1_right_plane
+        & +box1_rear_plane
+        & -box1_front_plane
+    )
+
+    # Cell
+    box1 = openmc.Cell(fill=inside_box1_universe, region=box1_region)
+
+    # Register geometry
+    model.geometry = openmc.Geometry([box1])
+
+    # =============================================================================
+    # Settings
+    # =============================================================================
+
+    model.settings = openmc.Settings()
+    model.settings.particles = 100
+    model.settings.batches = 5
+    model.settings.inactive = 1
+    model.settings.seed = 1
+
+    bounds = [
+        -core_radius,
+        -core_radius,
+        -core_height / 2.0,
+        core_radius,
+        core_radius,
+        core_height / 2.0,
+    ]
+    distribution = openmc.stats.Box(bounds[:3], bounds[3:], only_fissionable=True)
+    model.settings.source = openmc.IndependentSource(space=distribution)
+
+    return model
+
+
+def return_surface_source_data(filepath):
+    """Read a surface source file and return a sorted array composed
+    of flatten arrays of source data for each surface source point.
+
+    TODO:
+
+    - use read_source_file from source.py instead. Or a dedicated function
+      to produce sorted list of source points for a given file.
+
+    Parameters
+    ----------
+    filepath : str
+        Path to the surface source file
+
+    Returns
+    -------
+    data : np.array
+        Sorted array composed of flatten arrays of source data for
+        each surface source point
+
+    """
+    data = []
+    keys = []
+
+    # Read source file
+    with h5py.File(filepath, "r") as f:
+        for point in f["source_bank"]:
+            r = point["r"]
+            u = point["u"]
+            e = point["E"]
+            time = point["time"]
+            wgt = point["wgt"]
+            delayed_group = point["delayed_group"]
+            surf_id = point["surf_id"]
+            particle = point["particle"]
+
+            key = (
+                f"{r[0]:.10e} {r[1]:.10e} {r[2]:.10e} {u[0]:.10e} {u[1]:.10e} {u[2]:.10e}"
+                f"{e:.10e} {time:.10e} {wgt:.10e} {delayed_group} {surf_id} {particle}"
+            )
+
+            keys.append(key)
+
+            values = [*r, *u, e, time, wgt, delayed_group, surf_id, particle]
+            assert len(values) == 12
+            data.append(values)
+
+    data = np.array(data)
+    keys = np.array(keys)
+    sorted_idx = np.argsort(keys)
+
+    return data[sorted_idx]
+
+
+class SurfaceSourceWriteTestHarness(PyAPITestHarness):
+    def __init__(self, statepoint_name, model=None, inputs_true=None, workdir=None):
+        super().__init__(statepoint_name, model, inputs_true)
+        self.workdir = workdir
+
+    def _test_output_created(self):
+        """Make sure surface_source.h5 has also been created."""
+        super()._test_output_created()
+        if self._model.settings.surf_source_write:
+            assert os.path.exists(
+                "surface_source.h5"
+            ), "Surface source file has not been created."
+
+    def _compare_output(self):
+        """Compare surface_source.h5 files."""
+        if self._model.settings.surf_source_write:
+            source_true = return_surface_source_data("surface_source_true.h5")
+            source_test = return_surface_source_data("surface_source.h5")
+            np.testing.assert_allclose(source_true, source_test, rtol=1e-07)
+
+    def main(self):
+        """Accept commandline arguments and either run or update tests."""
+        if config["build_inputs"]:
+            self.build_inputs()
+        elif config["update"]:
+            self.update_results()
+        else:
+            self.execute_test()
+
+    def build_inputs(self):
+        """Build inputs."""
+        base_dir = os.getcwd()
+        try:
+            os.chdir(self.workdir)
+            self._build_inputs()
+        finally:
+            os.chdir(base_dir)
+
+    def execute_test(self):
+        """Build inputs, run OpenMC, and verify correct results."""
+        base_dir = os.getcwd()
+        try:
+            os.chdir(self.workdir)
+            self._build_inputs()
+            inputs = self._get_inputs()
+            self._write_inputs(inputs)
+            self._compare_inputs()
+            self._run_openmc()
+            self._test_output_created()
+            self._compare_output()
+            results = self._get_results()
+            self._write_results(results)
+            self._compare_results()
+        finally:
+            self._cleanup()
+            os.chdir(base_dir)
+
+    def update_results(self):
+        """Update results_true.dat and inputs_true.dat"""
+        base_dir = os.getcwd()
+        try:
+            os.chdir(self.workdir)
+            self._build_inputs()
+            inputs = self._get_inputs()
+            self._write_inputs(inputs)
+            self._overwrite_inputs()
+            self._run_openmc()
+            self._test_output_created()
+            results = self._get_results()
+            self._write_results(results)
+            self._overwrite_results()
+        finally:
+            self._cleanup()
+            os.chdir(base_dir)
+
+    def _overwrite_results(self):
+        """Also add the 'surface_source.h5' file during overwriting."""
+        super()._overwrite_results()
+        if os.path.exists("surface_source.h5"):
+            shutil.copyfile("surface_source.h5", "surface_source_true.h5")
+
+    def _cleanup(self):
+        """Also remove the 'surface_source.h5' file while cleaning."""
+        super()._cleanup()
+        fs = "surface_source.h5"
+        if os.path.exists(fs):
+            os.remove(fs)
+
+
+@pytest.mark.skipif(config["event"] is True, reason="Results from history-based mode.")
+@pytest.mark.parametrize(
+    "folder, model_name, parameter",
+    [
+        ("case-01", "model_1", {"max_particles": 300}),
+        ("case-02", "model_1", {"max_particles": 300, "surface_ids": [8]}),
+        (
+            "case-03",
+            "model_1",
+            {"max_particles": 300, "surface_ids": [4, 5, 6, 7, 8, 9]},
+        ),
+        (
+            "case-04",
+            "model_1",
+            {"max_particles": 300, "surface_ids": [4, 5, 6, 7, 8, 9], "cell": 2},
+        ),
+        (
+            "case-05",
+            "model_1",
+            {"max_particles": 300, "surface_ids": [4, 5, 6, 7, 8, 9], "cell": 3},
+        ),
+        ("case-06", "model_1", {"max_particles": 300, "cell": 2}),
+        ("case-07", "model_1", {"max_particles": 300, "cell": 3}),
+        ("case-08", "model_1", {"max_particles": 300, "cellfrom": 2}),
+        ("case-09", "model_1", {"max_particles": 300, "cellto": 2}),
+        ("case-10", "model_1", {"max_particles": 300, "cellfrom": 3}),
+        ("case-11", "model_1", {"max_particles": 300, "cellto": 3}),
+        (
+            "case-12",
+            "model_2",
+            {"max_particles": 300, "surface_ids": [4, 5, 6, 7, 8, 9]},
+        ),
+        (
+            "case-13",
+            "model_2",
+            {"max_particles": 300, "surface_ids": [4, 5, 6, 7, 8, 9], "cell": 3},
+        ),
+        (
+            "case-14",
+            "model_2",
+            {"max_particles": 300, "surface_ids": [4, 5, 6, 7, 8, 9], "cellfrom": 3},
+        ),
+        (
+            "case-15",
+            "model_2",
+            {"max_particles": 300, "surface_ids": [4, 5, 6, 7, 8, 9], "cellto": 3},
+        ),
+        (
+            "case-16",
+            "model_3",
+            {"max_particles": 300, "surface_ids": [4, 5, 6, 7, 8, 9]},
+        ),
+        (
+            "case-17",
+            "model_3",
+            {"max_particles": 300, "surface_ids": [4, 5, 6, 7, 8, 9], "cell": 3},
+        ),
+        (
+            "case-18",
+            "model_3",
+            {"max_particles": 300, "surface_ids": [4, 5, 6, 7, 8, 9], "cellfrom": 3},
+        ),
+        (
+            "case-19",
+            "model_3",
+            {"max_particles": 300, "surface_ids": [4, 5, 6, 7, 8, 9], "cellto": 3},
+        ),
+        (
+            "case-20",
+            "model_4",
+            {"max_particles": 300, "surface_ids": [4]},
+        ),
+        (
+            "case-21",
+            "model_4",
+            {"max_particles": 300, "surface_ids": [4], "cell": 3},
+        ),
+    ],
+)
+def test_surface_source_cell_history_based(
+    folder, model_name, parameter, single_thread, single_process, request
+):
+    """Test on history-based results for CSG-only geometries."""
+    assert os.environ["OMP_NUM_THREADS"] == "1"
+    assert config["mpi_np"] == "1"
+    model = request.getfixturevalue(model_name)
+    model.settings.surf_source_write = parameter
+    harness = SurfaceSourceWriteTestHarness(
+        "statepoint.5.h5", model=model, workdir=folder
+    )
+    harness.main()
+
+
+@pytest.mark.skipif(config["event"] is True, reason="Results from history-based mode.")
+def test_consistency_low_realization_number(model_1, two_threads, single_process):
+    """The objective is to test that the results produced, in a case where
+    the number of potential realization (particle storage) is low
+    compared to the capacity of storage, are still consistent.
+
+    This configuration ensures that the competition between threads does not
+    occur and that the content of the source file created can be compared.
+
+    """
+    assert os.environ["OMP_NUM_THREADS"] == "2"
+    assert config["mpi_np"] == "1"
+    model_1.settings.surf_source_write = {
+        "max_particles": 200,
+        "surface_ids": [1, 2, 3],
+        "cellfrom": 2,
+    }
+    harness = SurfaceSourceWriteTestHarness(
+        "statepoint.5.h5", model=model_1, workdir="case-a01"
+    )
+    harness.main()
+
+
+@pytest.mark.skipif(config["event"] is False, reason="Results from event-based mode.")
+@pytest.mark.parametrize(
+    "folder, model_name, parameter",
+    [
+        (
+            "case-e01",
+            "model_1",
+            {"max_particles": 300, "surface_ids": [4, 5, 6, 7, 8, 9], "cell": 2},
+        ),
+        ("case-e02", "model_1", {"max_particles": 300, "cell": 3}),
+        (
+            "case-e03",
+            "model_2",
+            {"max_particles": 300, "surface_ids": [4, 5, 6, 7, 8, 9], "cell": 3},
+        ),
+    ],
+)
+def test_surface_source_cell_event_based(
+    folder, model_name, parameter, single_thread, single_process, request
+):
+    """Test on event-based results for CSG-only geometries."""
+    assert os.environ["OMP_NUM_THREADS"] == "1"
+    assert config["mpi_np"] == "1"
+    model = request.getfixturevalue(model_name)
+    model.settings.surf_source_write = parameter
+    harness = SurfaceSourceWriteTestHarness(
+        "statepoint.5.h5", model=model, workdir=folder
+    )
+    harness.main()
+
+
+@pytest.fixture(scope="module")
+def model_dagmc_1():
+    """Model based on the mesh file 'dagmc.h5m' available from
+    tests/regression_tests/dagmc/legacy.
+
+    """
+    openmc.reset_auto_ids()
+    model = openmc.Model()
+
+    # =============================================================================
+    # Materials
+    # =============================================================================
+
+    u235 = openmc.Material(name="no-void fuel")
+    u235.add_nuclide("U235", 1.0, "ao")
+    u235.set_density("g/cc", 11)
+    u235.id = 40
+
+    water = openmc.Material(name="water")
+    water.add_nuclide("H1", 2.0, "ao")
+    water.add_nuclide("O16", 1.0, "ao")
+    water.set_density("g/cc", 1.0)
+    water.add_s_alpha_beta("c_H_in_H2O")
+    water.id = 41
+
+    materials = openmc.Materials([u235, water])
+    model.materials = materials
+
+    # =============================================================================
+    # Geometry
+    # =============================================================================
+
+    dagmc_univ = openmc.DAGMCUniverse(Path("../../dagmc/legacy/dagmc.h5m"))
+    model.geometry = openmc.Geometry(dagmc_univ)
+
+    # =============================================================================
+    # Settings
+    # =============================================================================
+
+    model.settings = openmc.Settings()
+    model.settings.particles = 100
+    model.settings.batches = 5
+    model.settings.inactive = 1
+    model.settings.seed = 1
+
+    source_box = openmc.stats.Box([-4, -4, -20], [4, 4, 20], only_fissionable=True)
+    model.settings.source = openmc.IndependentSource(space=source_box)
+
+    return model
+
+
+@pytest.fixture(scope="module")
+def model_dagmc_2():
+    """Model based on the mesh file 'dagmc.h5m' available from
+    tests/regression_tests/dagmc/legacy.
+
+    This model corresponds to the model_dagmc_1 contained in two boxes to introduce
+    multiple level of coordinates from CSG geometry.
+
+    """
+    openmc.reset_auto_ids()
+    model = openmc.Model()
+
+    # =============================================================================
+    # Materials
+    # =============================================================================
+
+    u235 = openmc.Material(name="no-void fuel")
+    u235.add_nuclide("U235", 1.0, "ao")
+    u235.set_density("g/cc", 11)
+    u235.id = 40
+
+    water = openmc.Material(name="water")
+    water.add_nuclide("H1", 2.0, "ao")
+    water.add_nuclide("O16", 1.0, "ao")
+    water.set_density("g/cc", 1.0)
+    water.add_s_alpha_beta("c_H_in_H2O")
+    water.id = 41
+
+    materials = openmc.Materials([u235, water])
+    model.materials = materials
+
+    # =============================================================================
+    # Geometry
+    # =============================================================================
+
+    dagmc_univ = openmc.DAGMCUniverse(Path("../../dagmc/legacy/dagmc.h5m"))
+
+    # -----------------------------------------------------------------------------
+    # Box 1
+    # -----------------------------------------------------------------------------
+
+    # Parameters
+    box1_size = 44
+
+    # Surfaces
+    box1_lower_plane = openmc.ZPlane(-box1_size / 2.0, surface_id=101)
+    box1_upper_plane = openmc.ZPlane(box1_size / 2.0, surface_id=102)
+    box1_left_plane = openmc.XPlane(-box1_size / 2.0, surface_id=103)
+    box1_right_plane = openmc.XPlane(box1_size / 2.0, surface_id=104)
+    box1_rear_plane = openmc.YPlane(-box1_size / 2.0, surface_id=105)
+    box1_front_plane = openmc.YPlane(box1_size / 2.0, surface_id=106)
+
+    # Region
+    box1_region = (
+        +box1_lower_plane
+        & -box1_upper_plane
+        & +box1_left_plane
+        & -box1_right_plane
+        & +box1_rear_plane
+        & -box1_front_plane
+    )
+
+    # Cell
+    box1 = openmc.Cell(fill=dagmc_univ, region=box1_region, cell_id=8)
+
+    # -----------------------------------------------------------------------------
+    # Box 2
+    # -----------------------------------------------------------------------------
+
+    # Parameters
+    box2_size = 48
+
+    # Surfaces
+    box2_lower_plane = openmc.ZPlane(
+        -box2_size / 2.0, boundary_type="vacuum", surface_id=107
+    )
+    box2_upper_plane = openmc.ZPlane(
+        box2_size / 2.0, boundary_type="vacuum", surface_id=108
+    )
+    box2_left_plane = openmc.XPlane(
+        -box2_size / 2.0, boundary_type="vacuum", surface_id=109
+    )
+    box2_right_plane = openmc.XPlane(
+        box2_size / 2.0, boundary_type="vacuum", surface_id=110
+    )
+    box2_rear_plane = openmc.YPlane(
+        -box2_size / 2.0, boundary_type="vacuum", surface_id=111
+    )
+    box2_front_plane = openmc.YPlane(
+        box2_size / 2.0, boundary_type="vacuum", surface_id=112
+    )
+
+    # Region
+    inside_box2 = (
+        +box2_lower_plane
+        & -box2_upper_plane
+        & +box2_left_plane
+        & -box2_right_plane
+        & +box2_rear_plane
+        & -box2_front_plane
+    )
+    outside_box1 = (
+        -box1_lower_plane
+        | +box1_upper_plane
+        | -box1_left_plane
+        | +box1_right_plane
+        | -box1_rear_plane
+        | +box1_front_plane
+    )
+
+    box2_region = inside_box2 & outside_box1
+
+    # Cell
+    box2 = openmc.Cell(fill=water, region=box2_region, cell_id=9)
+
+    # Register geometry
+    model.geometry = openmc.Geometry([box1, box2])
+
+    # =============================================================================
+    # Settings
+    # =============================================================================
+
+    model.settings = openmc.Settings()
+    model.settings.particles = 100
+    model.settings.batches = 5
+    model.settings.inactive = 1
+    model.settings.seed = 1
+
+    source_box = openmc.stats.Box([-4, -4, -20], [4, 4, 20], only_fissionable=True)
+    model.settings.source = openmc.IndependentSource(space=source_box)
+
+    return model
+
+
+@pytest.mark.skipif(
+    not openmc.lib._dagmc_enabled(), reason="DAGMC CAD geometry is not enabled."
+)
+@pytest.mark.skipif(config["event"] is True, reason="Results from history-based mode.")
+@pytest.mark.parametrize(
+    "folder, model_name, parameter",
+    [
+        ("case-d01", "model_dagmc_1", {"max_particles": 300}),
+        ("case-d02", "model_dagmc_1", {"max_particles": 300, "surface_ids": [1]}),
+        ("case-d03", "model_dagmc_1", {"max_particles": 300, "cell": 2}),
+        (
+            "case-d04",
+            "model_dagmc_1",
+            {"max_particles": 300, "surface_ids": [1], "cell": 2},
+        ),
+        ("case-d05", "model_dagmc_1", {"max_particles": 300, "cellfrom": 2}),
+        ("case-d06", "model_dagmc_1", {"max_particles": 300, "cellto": 2}),
+        (
+            "case-d07",
+            "model_dagmc_2",
+            {
+                "max_particles": 300,
+                "surface_ids": [101, 102, 103, 104, 105, 106],
+                "cell": 7,
+            },
+        ),
+        (
+            "case-d08",
+            "model_dagmc_2",
+            {
+                "max_particles": 300,
+                "surface_ids": [101, 102, 103, 104, 105, 106],
+                "cell": 8,
+            },
+        ),
+    ],
+)
+def test_surface_source_cell_dagmc(
+    folder, model_name, parameter, single_thread, single_process, request
+):
+    """Test on models with DAGMC geometries."""
+    assert os.environ["OMP_NUM_THREADS"] == "1"
+    assert config["mpi_np"] == "1"
+    model = request.getfixturevalue(model_name)
+    model.settings.surf_source_write = parameter
+    harness = SurfaceSourceWriteTestHarness(
+        "statepoint.5.h5", model=model, workdir=folder
+    )
+    harness.main()
diff --git a/tests/unit_tests/test_surface_source_write.py b/tests/unit_tests/test_surface_source_write.py
new file mode 100644
index 000000000..472363073
--- /dev/null
+++ b/tests/unit_tests/test_surface_source_write.py
@@ -0,0 +1,248 @@
+"""Test the 'surf_source_write' setting used to store particles that cross
+surfaces in a file for a given simulation."""
+
+from pathlib import Path
+
+import openmc
+import openmc.lib
+import pytest
+import h5py
+import numpy as np
+
+
+@pytest.fixture(scope="module")
+def geometry():
+    """Simple hydrogen sphere geometry"""
+    openmc.reset_auto_ids()
+    material = openmc.Material(name="H1")
+    material.add_element("H", 1.0)
+    sphere = openmc.Sphere(r=1.0, boundary_type="vacuum")
+    cell = openmc.Cell(region=-sphere, fill=material)
+    return openmc.Geometry([cell])
+
+
+@pytest.mark.parametrize(
+    "parameter",
+    [
+        {"max_particles": 200},
+        {"max_particles": 200, "cell": 1},
+        {"max_particles": 200, "cellto": 1},
+        {"max_particles": 200, "cellfrom": 1},
+        {"max_particles": 200, "surface_ids": [2]},
+        {"max_particles": 200, "surface_ids": [2], "cell": 1},
+        {"max_particles": 200, "surface_ids": [2], "cellto": 1},
+        {"max_particles": 200, "surface_ids": [2], "cellfrom": 1},
+    ],
+)
+def test_xml_serialization(parameter, run_in_tmpdir):
+    """Check that the different use cases can be written and read in XML."""
+    settings = openmc.Settings()
+    settings.surf_source_write = parameter
+    settings.export_to_xml()
+
+    read_settings = openmc.Settings.from_xml()
+    assert read_settings.surf_source_write == parameter
+
+
+ERROR_MSG_1 = (
+    "A maximum number of particles needs to be specified "
+    "using the 'max_particles' parameter to store surface "
+    "source points."
+)
+ERROR_MSG_2 = "'cell', 'cellfrom' and 'cellto' cannot be used at the same time."
+
+
+@pytest.mark.parametrize(
+    "parameter, error",
+    [
+        ({"cell": 1}, ERROR_MSG_1),
+        ({"max_particles": 200, "cell": 1, "cellto": 1}, ERROR_MSG_2),
+        ({"max_particles": 200, "cell": 1, "cellfrom": 1}, ERROR_MSG_2),
+        ({"max_particles": 200, "cellto": 1, "cellfrom": 1}, ERROR_MSG_2),
+        ({"max_particles": 200, "cell": 1, "cellto": 1, "cellfrom": 1}, ERROR_MSG_2),
+    ],
+)
+def test_exceptions(parameter, error, run_in_tmpdir, geometry):
+    """Test parameters configuration that should return an error."""
+    settings = openmc.Settings(run_mode="fixed source", batches=5, particles=100)
+    settings.surf_source_write = parameter
+    model = openmc.Model(geometry=geometry, settings=settings)
+    with pytest.raises(RuntimeError, match=error):
+        model.run()
+
+
+@pytest.fixture(scope="module")
+def model():
+    """Simple hydrogen sphere divided in two hemispheres
+    by a z-plane to form 2 cells."""
+    openmc.reset_auto_ids()
+    model = openmc.Model()
+
+    # Material
+    material = openmc.Material(name="H1")
+    material.add_element("H", 1.0)
+
+    # Geometry
+    radius = 1.0
+    sphere = openmc.Sphere(r=radius, boundary_type="reflective")
+    plane = openmc.ZPlane(0.0)
+    cell_1 = openmc.Cell(region=-sphere & -plane, fill=material)
+    cell_2 = openmc.Cell(region=-sphere & +plane, fill=material)
+    root = openmc.Universe(cells=[cell_1, cell_2])
+    model.geometry = openmc.Geometry(root)
+
+    # Settings
+    model.settings = openmc.Settings()
+    model.settings.run_mode = "fixed source"
+    model.settings.particles = 100
+    model.settings.batches = 3
+    model.settings.seed = 1
+
+    bounds = [-radius, -radius, -radius, radius, radius, radius]
+    distribution = openmc.stats.Box(bounds[:3], bounds[3:])
+    model.settings.source = openmc.IndependentSource(space=distribution)
+
+    return model
+
+
+@pytest.mark.parametrize(
+    "parameter",
+    [
+        {"max_particles": 200, "cellto": 2, "surface_ids": [2]},
+        {"max_particles": 200, "cellfrom": 2, "surface_ids": [2]},
+    ],
+)
+def test_particle_direction(parameter, run_in_tmpdir, model):
+    """Test the direction of particles with the 'cellfrom' and 'cellto' parameters
+    on a simple model with only one surface of interest.
+
+    Cell 2 is the upper hemisphere and surface 2 is the plane dividing the sphere
+    into two hemispheres.
+
+    """
+    model.settings.surf_source_write = parameter
+    model.run()
+    with h5py.File("surface_source.h5", "r") as f:
+        source = f["source_bank"]
+
+        assert len(source) == 200
+
+        # We want to verify that the dot product of the surface's normal vector
+        # and the direction of the particle is either positive or negative
+        # depending on cellfrom or cellto. In this case, it is equivalent
+        # to just compare the z component of the direction of the particle.
+        for point in source:
+            if "cellto" in parameter.keys():
+                assert point["u"]["z"] > 0.0
+            elif "cellfrom" in parameter.keys():
+                assert point["u"]["z"] < 0.0
+            else:
+                assert False
+
+
+@pytest.fixture
+def model_dagmc(request):
+    """Model based on the mesh file 'dagmc.h5m' available from
+    tests/regression_tests/dagmc/legacy.
+
+    """
+    openmc.reset_auto_ids()
+    model = openmc.Model()
+
+    # =============================================================================
+    # Materials
+    # =============================================================================
+
+    u235 = openmc.Material(name="no-void fuel")
+    u235.add_nuclide("U235", 1.0, "ao")
+    u235.set_density("g/cc", 11)
+    u235.id = 40
+
+    water = openmc.Material(name="water")
+    water.add_nuclide("H1", 2.0, "ao")
+    water.add_nuclide("O16", 1.0, "ao")
+    water.set_density("g/cc", 1.0)
+    water.add_s_alpha_beta("c_H_in_H2O")
+    water.id = 41
+
+    model.materials = openmc.Materials([u235, water])
+
+    # =============================================================================
+    # Geometry
+    # =============================================================================
+    dagmc_path = Path(request.fspath).parent / "../regression_tests/dagmc/legacy/dagmc.h5m"
+    dagmc_univ = openmc.DAGMCUniverse(dagmc_path)
+    model.geometry = openmc.Geometry(dagmc_univ)
+
+    # =============================================================================
+    # Settings
+    # =============================================================================
+
+    model.settings = openmc.Settings()
+    model.settings.particles = 300
+    model.settings.batches = 5
+    model.settings.inactive = 1
+    model.settings.seed = 1
+
+    source_box = openmc.stats.Box([-4, -4, -20], [4, 4, 20])
+    model.settings.source = openmc.IndependentSource(space=source_box)
+
+    return model
+
+
+@pytest.mark.skipif(
+    not openmc.lib._dagmc_enabled(), reason="DAGMC CAD geometry is not enabled."
+)
+@pytest.mark.parametrize(
+    "parameter",
+    [
+        {"max_particles": 200, "cellto": 1},
+        {"max_particles": 200, "cellfrom": 1},
+    ],
+)
+def test_particle_direction_dagmc(parameter, run_in_tmpdir, model_dagmc):
+    """Test the direction of particles with the 'cellfrom' and 'cellto' parameters
+    on a DAGMC model."""
+    model_dagmc.settings.surf_source_write = parameter
+    model_dagmc.run()
+
+    r = 7.0
+    h = 20.0
+
+    with h5py.File("surface_source.h5", "r") as f:
+        source = f["source_bank"]
+
+        assert len(source) == 200
+
+        for point in source:
+
+            x, y, z = point["r"]
+            ux, uy, uz = point["u"]
+
+            # If the point is on the upper or lower circle
+            if np.allclose(abs(z), h):
+                # If the point is also on the cylindrical surface
+                if np.allclose(np.sqrt(x**2 + y**2), r):
+                    if "cellfrom" in parameter.keys():
+                        assert (uz * z > 0) or (ux * x + uy * y > 0)
+                    elif "cellto" in parameter.keys():
+                        assert (uz * z < 0) or (ux * x + uy * y < 0)
+                    else:
+                        assert False
+                # If the point is not on the cylindrical surface
+                else:
+                    if "cellfrom" in parameter.keys():
+                        assert uz * z > 0
+                    elif "cellto" in parameter.keys():
+                        assert uz * z < 0
+                    else:
+                        assert False
+            # If the point is not on the upper or lower circle,
+            # meaning it is on the cylindrical surface
+            else:
+                if "cellfrom" in parameter.keys():
+                    assert ux * x + uy * y > 0
+                elif "cellto" in parameter.keys():
+                    assert ux * x + uy * y < 0
+                else:
+                    assert False
diff --git a/tests/unit_tests/test_tally_multiply_density.py b/tests/unit_tests/test_tally_multiply_density.py
index 66ef41e0d..552d76bd5 100644
--- a/tests/unit_tests/test_tally_multiply_density.py
+++ b/tests/unit_tests/test_tally_multiply_density.py
@@ -3,7 +3,7 @@ import openmc
 import pytest
 
 
-def test_micro_macro_compare():
+def test_micro_macro_compare(run_in_tmpdir):
     # Create simple sphere model with H1 and H2
     mat = openmc.Material()
     mat.add_components({'H1': 1.0, 'H2': 1.0})
diff --git a/tests/unit_tests/weightwindows/test_ww_gen.py b/tests/unit_tests/weightwindows/test_ww_gen.py
index 6fc3747b1..555421461 100644
--- a/tests/unit_tests/weightwindows/test_ww_gen.py
+++ b/tests/unit_tests/weightwindows/test_ww_gen.py
@@ -101,7 +101,7 @@ def labels(params):
 
 
 @pytest.mark.parametrize("filters", test_cases, ids=labels)
-def test_ww_gen(filters, model):
+def test_ww_gen(filters, run_in_tmpdir, model):
 
     tally = openmc.Tally()
     tally.filters = list(filters)

From 3bedd043d0026490412018685901c9409635713b Mon Sep 17 00:00:00 2001
From: lhchg <lhao_cheng@163.com>
Date: Wed, 19 Jun 2024 23:56:02 +0800
Subject: [PATCH 2112/2654] update math function unit test with catch2 (#2955)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/lib/math.py                  | 266 +--------------------
 tests/cpp_unit_tests/CMakeLists.txt |   1 +
 tests/cpp_unit_tests/test_math.cpp  | 357 ++++++++++++++++++++++++++++
 tests/unit_tests/test_math.py       | 247 -------------------
 4 files changed, 359 insertions(+), 512 deletions(-)
 create mode 100644 tests/cpp_unit_tests/test_math.cpp
 delete mode 100644 tests/unit_tests/test_math.py

diff --git a/openmc/lib/math.py b/openmc/lib/math.py
index 029f1c4c9..8c62f2416 100644
--- a/openmc/lib/math.py
+++ b/openmc/lib/math.py
@@ -1,5 +1,4 @@
-from ctypes import c_int, c_double, POINTER, c_uint64
-from random import getrandbits
+from ctypes import c_int, c_double
 
 import numpy as np
 from numpy.ctypeslib import ndpointer
@@ -7,137 +6,18 @@ from numpy.ctypeslib import ndpointer
 from . import _dll
 
 
-_dll.t_percentile.restype = c_double
-_dll.t_percentile.argtypes = [c_double, c_int]
-
-_dll.calc_pn_c.restype = None
-_dll.calc_pn_c.argtypes = [c_int, c_double, ndpointer(c_double)]
-
-_dll.evaluate_legendre.restype = c_double
-_dll.evaluate_legendre.argtypes = [c_int, POINTER(c_double), c_double]
-
-_dll.calc_rn_c.restype = None
-_dll.calc_rn_c.argtypes = [c_int, ndpointer(c_double), ndpointer(c_double)]
-
 _dll.calc_zn.restype = None
 _dll.calc_zn.argtypes = [c_int, c_double, c_double, ndpointer(c_double)]
 
 _dll.calc_zn_rad.restype = None
 _dll.calc_zn_rad.argtypes = [c_int, c_double, ndpointer(c_double)]
 
-_dll.rotate_angle_c.restype = None
-_dll.rotate_angle_c.argtypes = [ndpointer(c_double), c_double,
-                                POINTER(c_double), POINTER(c_uint64)]
-_dll.maxwell_spectrum.restype = c_double
-_dll.maxwell_spectrum.argtypes = [c_double, POINTER(c_uint64)]
-
-_dll.watt_spectrum.restype = c_double
-_dll.watt_spectrum.argtypes = [c_double, c_double, POINTER(c_uint64)]
-
-_dll.broaden_wmp_polynomials.restype = None
-_dll.broaden_wmp_polynomials.argtypes = [c_double, c_double, c_int,
-                                         ndpointer(c_double)]
-
-_dll.normal_variate.restype = c_double
-_dll.normal_variate.argtypes = [c_double, c_double, POINTER(c_uint64)]
-
-def t_percentile(p, df):
-    """ Calculate the percentile of the Student's t distribution with a
-    specified probability level and number of degrees of freedom
-
-    Parameters
-    ----------
-    p : float
-        Probability level
-    df : int
-        Degrees of freedom
-
-    Returns
-    -------
-    float
-        Corresponding t-value
-
-    """
-
-    return _dll.t_percentile(p, df)
-
-
-def calc_pn(n, x):
-    """ Calculate the n-th order Legendre polynomial at the value of x.
-
-    Parameters
-    ----------
-    n : int
-        Legendre order
-    x : float
-        Independent variable to evaluate the Legendre at
-
-    Returns
-    -------
-    float
-        Corresponding Legendre polynomial result
-
-    """
-
-    pnx = np.empty(n + 1, dtype=np.float64)
-    _dll.calc_pn_c(n, x, pnx)
-    return pnx
-
-
-def evaluate_legendre(data, x):
-    """ Finds the value of f(x) given a set of Legendre coefficients
-    and the value of x.
-
-    Parameters
-    ----------
-    data : iterable of float
-        Legendre coefficients
-    x : float
-        Independent variable to evaluate the Legendre at
-
-    Returns
-    -------
-    float
-        Corresponding Legendre expansion result
-
-    """
-
-    data_arr = np.array(data, dtype=np.float64)
-    return _dll.evaluate_legendre(len(data)-1,
-                                  data_arr.ctypes.data_as(POINTER(c_double)), x)
-
-
-def calc_rn(n, uvw):
-    """ Calculate the n-th order real Spherical Harmonics for a given angle;
-    all Rn,m values are provided for all n (where -n <= m <= n).
-
-    Parameters
-    ----------
-    n : int
-        Harmonics order
-    uvw : iterable of float
-        Independent variable to evaluate the Legendre at
-
-    Returns
-    -------
-    numpy.ndarray
-        Corresponding real harmonics value
-
-    """
-
-    num_nm = (n + 1) * (n + 1)
-    rn = np.empty(num_nm, dtype=np.float64)
-    uvw_arr = np.array(uvw, dtype=np.float64)
-    _dll.calc_rn_c(n, uvw_arr, rn)
-    return rn
-
 
 def calc_zn(n, rho, phi):
     """ Calculate the n-th order modified Zernike polynomial moment for a
     given angle (rho, theta) location in the unit disk. The normalization of
     the polynomials is such that the integral of Z_pq*Z_pq over the unit disk
     is exactly pi
-
     Parameters
     ----------
     n : int
@@ -146,12 +26,10 @@ def calc_zn(n, rho, phi):
         Radial location in the unit disk
     phi : float
         Theta (radians) location in the unit disk
-
     Returns
     -------
     numpy.ndarray
         Corresponding resulting list of coefficients
-
     """
 
     num_bins = ((n + 1) * (n + 2)) // 2
@@ -165,161 +43,19 @@ def calc_zn_rad(n, rho):
     moment with no azimuthal dependency (m=0) for a given radial location in
     the unit disk. The normalization of the polynomials is such that the
     integral of Z_pq*Z_pq over the unit disk is exactly pi.
-
     Parameters
     ----------
     n : int
         Maximum order
     rho : float
         Radial location in the unit disk
-
     Returns
     -------
     numpy.ndarray
         Corresponding resulting list of coefficients
-
     """
 
     num_bins = n // 2 + 1
     zn_rad = np.zeros(num_bins, dtype=np.float64)
     _dll.calc_zn_rad(n, rho, zn_rad)
     return zn_rad
-
-
-def rotate_angle(uvw0, mu, phi, prn_seed=None):
-    """ Rotates direction cosines through a polar angle whose cosine is
-    mu and through an azimuthal angle sampled uniformly.
-
-    Parameters
-    ----------
-    uvw0 : iterable of float
-        Original direction cosine
-    mu : float
-        Polar angle cosine to rotate
-    phi : float
-        Azimuthal angle; if None, one will be sampled uniformly
-    prn_seed : int
-        Pseudorandom number generator (PRNG) seed; if None, one will be
-        generated randomly.
-
-    Returns
-    -------
-    numpy.ndarray
-        Rotated direction cosine
-
-    """
-
-    if prn_seed is None:
-        prn_seed = getrandbits(63)
-
-    uvw0_arr = np.array(uvw0, dtype=np.float64)
-    if phi is None:
-        _dll.rotate_angle_c(uvw0_arr, mu, None, c_uint64(prn_seed))
-    else:
-        _dll.rotate_angle_c(uvw0_arr, mu, c_double(phi), c_uint64(prn_seed))
-
-    uvw = uvw0_arr
-
-    return uvw
-
-
-def maxwell_spectrum(T, prn_seed=None):
-    """ Samples an energy from the Maxwell fission distribution based
-    on a direct sampling scheme.
-
-    Parameters
-    ----------
-    T : float
-        Spectrum parameter
-    prn_seed : int
-        Pseudorandom number generator (PRNG) seed; if None, one will be
-        generated randomly.
-
-    Returns
-    -------
-    float
-        Sampled outgoing energy
-
-    """
-
-    if prn_seed is None:
-        prn_seed = getrandbits(63)
-
-    return _dll.maxwell_spectrum(T, c_uint64(prn_seed))
-
-
-def watt_spectrum(a, b, prn_seed=None):
-    """ Samples an energy from the Watt energy-dependent fission spectrum.
-
-    Parameters
-    ----------
-    a : float
-        Spectrum parameter a
-    b : float
-        Spectrum parameter b
-    prn_seed : int
-        Pseudorandom number generator (PRNG) seed; if None, one will be
-        generated randomly.
-
-    Returns
-    -------
-    float
-        Sampled outgoing energy
-
-    """
-
-    if prn_seed is None:
-        prn_seed = getrandbits(63)
-
-    return _dll.watt_spectrum(a, b, c_uint64(prn_seed))
-
-
-def normal_variate(mean_value, std_dev, prn_seed=None):
-    """ Samples an energy from the Normal distribution.
-
-    Parameters
-    ----------
-    mean_value : float
-        Mean of the Normal distribution
-    std_dev : float
-        Standard deviation of the normal distribution
-    prn_seed : int
-        Pseudorandom number generator (PRNG) seed; if None, one will be
-        generated randomly.
-
-    Returns
-    -------
-    float
-        Sampled outgoing normally distributed value
-
-    """
-
-    if prn_seed is None:
-        prn_seed = getrandbits(63)
-
-    return _dll.normal_variate(mean_value, std_dev, c_uint64(prn_seed))
-
-
-def broaden_wmp_polynomials(E, dopp, n):
-    """ Doppler broadens the windowed multipole curvefit.  The curvefit is a
-    polynomial of the form a/E + b/sqrt(E) + c + d sqrt(E) ...
-
-    Parameters
-    ----------
-    E : float
-        Energy to evaluate at
-    dopp : float
-        sqrt(atomic weight ratio / kT), with kT given in eV
-    n : int
-        Number of components to the polynomial
-
-    Returns
-    -------
-    numpy.ndarray
-        Resultant leading coefficients
-
-    """
-
-    factors = np.zeros(n, dtype=np.float64)
-    _dll.broaden_wmp_polynomials(E, dopp, n, factors)
-    return factors
diff --git a/tests/cpp_unit_tests/CMakeLists.txt b/tests/cpp_unit_tests/CMakeLists.txt
index 24ec1b7a9..f0f5f2853 100644
--- a/tests/cpp_unit_tests/CMakeLists.txt
+++ b/tests/cpp_unit_tests/CMakeLists.txt
@@ -3,6 +3,7 @@ set(TEST_NAMES
   test_file_utils
   test_tally
   test_interpolate
+  test_math
   # Add additional unit test files here
 )
 
diff --git a/tests/cpp_unit_tests/test_math.cpp b/tests/cpp_unit_tests/test_math.cpp
new file mode 100644
index 000000000..1ad7c4b70
--- /dev/null
+++ b/tests/cpp_unit_tests/test_math.cpp
@@ -0,0 +1,357 @@
+#include <cmath>
+#include <random>
+
+#include <catch2/catch_test_macros.hpp>
+#include <catch2/matchers/catch_matchers_floating_point.hpp>
+#include <catch2/matchers/catch_matchers_vector.hpp>
+
+#include "openmc/math_functions.h"
+#include "openmc/random_dist.h"
+#include "openmc/random_lcg.h"
+#include "openmc/wmp.h"
+
+TEST_CASE("Test t_percentile")
+{
+  // The reference solutions come from scipy.stats.t.ppf
+  std::vector<std::vector<double>> ref_ts {
+    {-15.894544844102773, -0.32491969623407446, 0.000000000000000,
+      0.32491969623407446, 15.894544844102759},
+    {-4.848732214442601, -0.2886751346880066, 0.000000000000000,
+      0.2886751346880066, 4.848732214442598},
+    {-2.756508521909475, -0.2671808657039658, 0.000000000000000,
+      0.2671808657039658, 2.7565085219094745}};
+
+  // Permutations include 1 DoF, 2 DoF, and > 2 DoF
+  // We will test 5 p-values at 3-DoF values
+  std::vector<double> test_ps {0.02, 0.4, 0.5, 0.6, 0.98};
+  std::vector<int> test_dfs {1, 2, 5};
+
+  for (int i = 0; i < test_dfs.size(); i++) {
+    int df = test_dfs[i];
+
+    std::vector<double> test_ts;
+
+    for (double p : test_ps) {
+      double test_t = openmc::t_percentile(p, df);
+      test_ts.push_back(test_t);
+    }
+
+    // The 5 DoF approximation in openmc.lib.math.t_percentile is off by up to
+    // 8e-3 from the scipy solution, so test that one separately with looser
+    // tolerance
+    double tolerance = (df > 2) ? 1e-2 : 1e-6;
+
+    REQUIRE_THAT(
+      ref_ts[i], Catch::Matchers::Approx(test_ts).epsilon(tolerance));
+  }
+}
+
+TEST_CASE("Test calc_pn")
+{
+  // The reference solutions come from scipy.special.eval_legendre
+  std::vector<std::vector<double>> ref_vals {
+    {1, -1, 1, -1, 1, -1, 1, -1, 1, -1, 1},
+    {1, -0.5, -0.125, 0.4375, -0.289062, -0.0898438, 0.323242, -0.223145,
+      -0.0736389, 0.267899, -0.188229},
+    {1, 0, -0.5, -0, 0.375, 0, -0.3125, -0, 0.273438, 0, -0.246094},
+    {1, 0.5, -0.125, -0.4375, -0.289062, 0.0898438, 0.323242, 0.223145,
+      -0.0736389, -0.267899, -0.188229},
+    {1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1}};
+
+  int max_order = 10;
+  std::vector<double> test_xs = {-1.0, -0.5, 0.0, 0.5, 1.0};
+
+  std::vector<std::vector<double>> test_vals;
+  for (double x : test_xs) {
+    std::vector<double> test_val(max_order + 1);
+    openmc::calc_pn_c(max_order, x, test_val.data());
+    test_vals.push_back(test_val);
+  }
+
+  for (int i = 0; i < ref_vals.size(); i++) {
+    REQUIRE_THAT(ref_vals[i], Catch::Matchers::Approx(test_vals[i]));
+  }
+}
+
+TEST_CASE("Test evaluate_legendre")
+{
+  // The reference solutions come from numpy.polynomial.legendre.legval
+  std::vector<double> ref_vals {
+    5.5, -0.45597649, -1.35351562, -2.7730999, 60.5};
+
+  int max_order = 10;
+  std::vector<double> test_xs = {-1.0, -0.5, 0.0, 0.5, 1.0};
+
+  // Set the coefficients back to 1s for the test values since
+  // evaluate legendre incorporates the (2l+1)/2 term on its own
+  std::vector<double> test_coeffs(max_order + 1, 1.0);
+
+  std::vector<double> test_vals;
+  for (double x : test_xs) {
+    test_vals.push_back(
+      openmc::evaluate_legendre(test_coeffs.size() - 1, test_coeffs.data(), x));
+  }
+
+  REQUIRE_THAT(ref_vals, Catch::Matchers::Approx(test_vals));
+}
+
+TEST_CASE("Test calc_rn")
+{
+  std::vector<double> ref_vals {1.000000000000000, -0.019833838076210,
+    0.980066577841242, -0.197676811654084, 0.006790834062088,
+    -0.033668438114859, 0.940795745502164, -0.335561350977312,
+    0.033500236162691, -0.001831975566765, 0.014882082223994,
+    -0.046185860057145, 0.883359726009014, -0.460318044571973,
+    0.073415616482180, -0.005922278973373, 0.000448625292461,
+    -0.004750335422039, 0.025089695062177, -0.057224052171859,
+    0.809468042300133, -0.570331780454957, 0.123771351522967,
+    -0.015356543011155, 0.001061098599927, -0.000104097571795,
+    0.001319047965347, -0.009263463267120, 0.037043163155191,
+    -0.066518621473934, 0.721310852552881, -0.662967447756079,
+    0.182739660926192, -0.029946258412359, 0.003119841820746,
+    -0.000190549327031, 0.000023320052630, -0.000338370521658,
+    0.002878809439524, -0.015562587450914, 0.050271226423217,
+    -0.073829294593737, 0.621486505922182, -0.735830327235834,
+    0.247995745731425, -0.050309614442385, 0.006809024629381,
+    -0.000619383085285, 0.000034086826414, -0.000005093626712,
+    0.000082405610567, -0.000809532012556, 0.005358034016708,
+    -0.023740240859138, 0.064242405926477, -0.078969918083157,
+    0.512915839160049, -0.787065093668736, 0.316917738015632,
+    -0.076745744765114, 0.012672942183651, -0.001481838409317,
+    0.000120451946983, -0.000006047366709, 0.000001091052697,
+    -0.000019334294214, 0.000213051604838, -0.001640234119608,
+    0.008982263900105, -0.033788039035668, 0.078388909900756,
+    -0.081820779415058, 0.398746190829636, -0.815478614863816,
+    0.386704633068855, -0.109227544713261, 0.021245051959237,
+    -0.003002428416676, 0.000311416667310, -0.000022954482885,
+    0.000001059646310, -0.000000230023931, 0.000004408854505,
+    -0.000053457925526, 0.000464152759861, -0.002976305522860,
+    0.013958017448970, -0.045594791382625, 0.092128969315914,
+    -0.082334538374971, 0.282248459574595, -0.820599067736528,
+    0.454486474163594, -0.147395565311743, 0.033013815809602,
+    -0.005448090715661, 0.000678450207914, -0.000063467485444,
+    0.000004281943868, -0.000000182535754, 0.000000047847775,
+    -0.000000982664801, 0.000012933320414, -0.000124076425457,
+    0.000901739739837, -0.004982323311961, 0.020457776068931,
+    -0.058948376674391, 0.104888993733747, -0.080538298991650,
+    0.166710763818175, -0.802696588503912, 0.517433650833039,
+    -0.190564076304612, 0.048387190622376, -0.009120081648146,
+    0.001318069323039, -0.000147308722683, 0.000012561029621,
+    -0.000000779794781, 0.000000030722703};
+
+  int max_order = 10;
+
+  double azi = 0.1; // Longitude
+  double pol = 0.2; // Latitude
+  double mu = std::cos(pol);
+
+  std::vector<double> test_uvw {std::sin(pol) * std::cos(azi),
+    std::sin(pol) * std::sin(azi), std::cos(pol)};
+
+  std::vector<double> test_vals((max_order + 1) * (max_order + 1), 0);
+  openmc::calc_rn_c(max_order, test_uvw.data(), test_vals.data());
+
+  REQUIRE_THAT(ref_vals, Catch::Matchers::Approx(test_vals));
+}
+
+TEST_CASE("Test calc_zn")
+{
+  std::vector<double> ref_vals {1.00000000e+00, 2.39712769e-01, 4.38791281e-01,
+    2.10367746e-01, -5.00000000e-01, 1.35075576e-01, 1.24686873e-01,
+    -2.99640962e-01, -5.48489101e-01, 8.84215021e-03, 5.68310892e-02,
+    -4.20735492e-01, -1.25000000e-01, -2.70151153e-01, -2.60091773e-02,
+    1.87022545e-02, -3.42888902e-01, 1.49820481e-01, 2.74244551e-01,
+    -2.43159131e-02, -2.50357380e-02, 2.20500013e-03, -1.98908812e-01,
+    4.07587508e-01, 4.37500000e-01, 2.61708929e-01, 9.10321205e-02,
+    -1.54686328e-02, -2.74049397e-03, -7.94845816e-02, 4.75368705e-01,
+    7.11647284e-02, 1.30266162e-01, 3.37106977e-02, 1.06401886e-01,
+    -7.31606787e-03, -2.95625975e-03, -1.10250006e-02, 3.55194307e-01,
+    -1.44627826e-01, -2.89062500e-01, -9.28644588e-02, -1.62557358e-01,
+    7.73431638e-02, -2.55329539e-03, -1.90923851e-03, 1.57578403e-02,
+    1.72995854e-01, -3.66267690e-01, -1.81657333e-01, -3.32521518e-01,
+    -2.59738162e-02, -2.31580576e-01, 4.20673902e-02, -4.11710546e-04,
+    -9.36449487e-04, 1.92156884e-02, 2.82515641e-02, -3.90713738e-01,
+    -1.69280296e-01, -8.98437500e-02, -1.08693628e-01, 1.78813094e-01,
+    -1.98191857e-01, 1.65964201e-02, 2.77013853e-04};
+
+  int n = 10;
+  double rho = 0.5;
+  double phi = 0.5;
+
+  int nums = ((n + 1) * (n + 2)) / 2;
+
+  std::vector<double> test_vals(nums, 0);
+  openmc::calc_zn(n, rho, phi, test_vals.data());
+
+  REQUIRE_THAT(ref_vals, Catch::Matchers::Approx(test_vals));
+}
+
+TEST_CASE("Test calc_zn_rad")
+{
+  std::vector<double> ref_vals {1.00000000e+00, -5.00000000e-01,
+    -1.25000000e-01, 4.37500000e-01, -2.89062500e-01, -8.98437500e-02};
+
+  int n = 10;
+  double rho = 0.5;
+
+  int nums = n / 2 + 1;
+  std::vector<double> test_vals(nums, 0);
+  openmc::calc_zn_rad(n, rho, test_vals.data());
+
+  REQUIRE_THAT(ref_vals, Catch::Matchers::Approx(test_vals));
+}
+
+TEST_CASE("Test rotate_angle")
+{
+  std::vector<double> uvw0 {1.0, 0.0, 0.0};
+  double phi = 0.0;
+
+  uint64_t prn_seed = 1;
+  openmc::prn(&prn_seed);
+
+  SECTION("Test rotate_angle mu is 0")
+  {
+    std::vector<double> ref_uvw {0.0, 0.0, -1.0};
+
+    double mu = 0.0;
+
+    std::vector<double> test_uvw(uvw0);
+    openmc::rotate_angle_c(test_uvw.data(), mu, &phi, &prn_seed);
+
+    REQUIRE_THAT(ref_uvw, Catch::Matchers::Approx(test_uvw));
+  }
+
+  SECTION("Test rotate_angle mu is 1")
+  {
+    std::vector<double> ref_uvw = {1.0, 0.0, 0.0};
+
+    double mu = 1.0;
+
+    std::vector<double> test_uvw(uvw0);
+    openmc::rotate_angle_c(test_uvw.data(), mu, &phi, &prn_seed);
+
+    REQUIRE_THAT(ref_uvw, Catch::Matchers::Approx(test_uvw));
+  }
+
+  // Now to test phi is None
+  SECTION("Test rotate_angle no phi")
+  {
+    // When seed = 1, phi will be sampled as 1.9116495709698769
+    // The resultant reference is from hand-calculations given the above
+    std::vector<double> ref_uvw = {
+      0.9, -0.422746750548505, 0.10623175090659095};
+
+    double mu = 0.9;
+    prn_seed = 1;
+
+    std::vector<double> test_uvw(uvw0);
+    openmc::rotate_angle_c(test_uvw.data(), mu, NULL, &prn_seed);
+
+    REQUIRE_THAT(ref_uvw, Catch::Matchers::Approx(test_uvw));
+  }
+}
+
+TEST_CASE("Test maxwell_spectrum")
+{
+  double ref_val = 0.27767406743161277;
+
+  double T = 0.5;
+  uint64_t prn_seed = 1;
+
+  double test_val = openmc::maxwell_spectrum(T, &prn_seed);
+
+  REQUIRE(ref_val == test_val);
+}
+
+TEST_CASE("Test watt_spectrum")
+{
+  double ref_val = 0.30957476387766697;
+
+  double a = 0.5;
+  double b = 0.75;
+  uint64_t prn_seed = 1;
+
+  double test_val = openmc::watt_spectrum(a, b, &prn_seed);
+
+  REQUIRE(ref_val == test_val);
+}
+
+TEST_CASE("Test normal_variate")
+{
+
+  // Generate a series of normally distributed random numbers and test
+  // whether their mean and standard deviation are close to the expected value
+  SECTION("Test with non-zero standard deviation")
+  {
+    uint64_t seed = 1;
+
+    double mean = 0.0;
+    double standard_deviation = 1.0;
+
+    int num_samples = 10000;
+    double sum = 0.0;
+    double sum_squared_difference = 0.0;
+
+    for (int i = 0; i < num_samples; ++i) {
+      double sample = openmc::normal_variate(mean, standard_deviation, &seed);
+      sum += sample;
+      sum_squared_difference += (sample - mean) * (sample - mean);
+    }
+
+    double actual_mean = sum / num_samples;
+    double actual_standard_deviation =
+      std::sqrt(sum_squared_difference / num_samples);
+
+    REQUIRE_THAT(mean, Catch::Matchers::WithinAbs(actual_mean, 0.1));
+    REQUIRE_THAT(standard_deviation,
+      Catch::Matchers::WithinAbs(actual_standard_deviation, 0.1));
+  }
+
+  // When the standard deviation is zero
+  // the generated random number should always be equal to the mean
+  SECTION("Test with zero standard deviation")
+  {
+    uint64_t seed = 1;
+    double mean = 5.0;
+    double standard_deviation = 0.0;
+
+    for (int i = 0; i < 10; ++i) {
+      double sample = openmc::normal_variate(mean, standard_deviation, &seed);
+      REQUIRE(sample == mean);
+    }
+  }
+}
+
+TEST_CASE("Test broaden_wmp_polynomials")
+{
+  double test_E = 0.5;
+  int n = 6;
+
+  // Two branches of the code to worry about, beta > 6 and otherwise
+  // beta = sqrtE * dopp
+  SECTION("Test broaden_wmp_polynomials beta > 6")
+  {
+    std::vector<double> ref_val {
+      2., 1.41421356, 1.0001, 0.70731891, 0.50030001, 0.353907};
+
+    double test_dopp = 100.0; // approximately U235 at room temperature
+
+    std::vector<double> test_val(n, 0);
+    openmc::broaden_wmp_polynomials(test_E, test_dopp, n, test_val.data());
+
+    REQUIRE_THAT(ref_val, Catch::Matchers::Approx(test_val));
+  }
+
+  SECTION("Test broaden_wmp_polynomials beta < 6")
+  {
+    std::vector<double> ref_val = {
+      1.99999885, 1.41421356, 1.04, 0.79195959, 0.6224, 0.50346003};
+
+    double test_dopp = 5.0;
+
+    std::vector<double> test_val(n, 0);
+    openmc::broaden_wmp_polynomials(test_E, test_dopp, n, test_val.data());
+
+    REQUIRE_THAT(ref_val, Catch::Matchers::Approx(test_val));
+  }
+}
diff --git a/tests/unit_tests/test_math.py b/tests/unit_tests/test_math.py
deleted file mode 100644
index c50057fcd..000000000
--- a/tests/unit_tests/test_math.py
+++ /dev/null
@@ -1,247 +0,0 @@
-import numpy as np
-import pytest
-import scipy as sp
-from scipy.stats import shapiro
-
-import openmc
-import openmc.lib
-
-
-def test_t_percentile():
-    # Permutations include 1 DoF, 2 DoF, and > 2 DoF
-    # We will test 5 p-values at 3-DoF values
-    test_ps = [0.02, 0.4, 0.5, 0.6, 0.98]
-    test_dfs = [1, 2, 5]
-
-    # The reference solutions come from Scipy
-    ref_ts = [[sp.stats.t.ppf(p, df) for p in test_ps] for df in test_dfs]
-
-    test_ts = [[openmc.lib.math.t_percentile(p, df) for p in test_ps]
-               for df in test_dfs]
-
-    # The 5 DoF approximation in openmc.lib.math.t_percentile is off by up to
-    # 8e-3 from the scipy solution, so test that one separately with looser
-    # tolerance
-    assert np.allclose(ref_ts[:-1], test_ts[:-1])
-    assert np.allclose(ref_ts[-1], test_ts[-1], atol=1e-2)
-
-
-def test_calc_pn():
-    max_order = 10
-    test_xs = np.linspace(-1., 1., num=5, endpoint=True)
-
-    # Reference solutions from scipy
-    ref_vals = np.array([sp.special.eval_legendre(n, test_xs)
-                         for n in range(0, max_order + 1)])
-
-    test_vals = []
-    for x in test_xs:
-        test_vals.append(openmc.lib.math.calc_pn(max_order, x).tolist())
-
-    test_vals = np.swapaxes(np.array(test_vals), 0, 1)
-
-    assert np.allclose(ref_vals, test_vals)
-
-
-def test_evaluate_legendre():
-    max_order = 10
-    # Coefficients are set to 1, but will incorporate the (2l+1)/2 norm factor
-    # for the reference solution
-    test_coeffs = [0.5 * (2. * l + 1.) for l in range(max_order + 1)]
-    test_xs = np.linspace(-1., 1., num=5, endpoint=True)
-
-    ref_vals = np.polynomial.legendre.legval(test_xs, test_coeffs)
-
-    # Set the coefficients back to 1s for the test values since
-    # evaluate legendre incorporates the (2l+1)/2 term on its own
-    test_coeffs = [1. for l in range(max_order + 1)]
-
-    test_vals = np.array([openmc.lib.math.evaluate_legendre(test_coeffs, x)
-                          for x in test_xs])
-
-    assert np.allclose(ref_vals, test_vals)
-
-
-def test_calc_rn():
-    max_order = 10
-    test_ns = np.array([i for i in range(0, max_order + 1)])
-    azi = 0.1  # Longitude
-    pol = 0.2  # Latitude
-    test_uvw = np.array([np.sin(pol) * np.cos(azi),
-                         np.sin(pol) * np.sin(azi),
-                         np.cos(pol)])
-
-    # Reference solutions from the equations
-    ref_vals = []
-
-    def coeff(n, m):
-        return np.sqrt((2. * n + 1) * sp.special.factorial(n - m) /
-                       (sp.special.factorial(n + m)))
-
-    def pnm_bar(n, m, mu):
-        val = coeff(n, m)
-        if m != 0:
-            val *= np.sqrt(2.)
-        val *= sp.special.lpmv([m], [n], [mu])
-        return val[0]
-
-    ref_vals = []
-    for n in test_ns:
-        for m in range(-n, n + 1):
-            if m < 0:
-                ylm = pnm_bar(n, np.abs(m), np.cos(pol)) * \
-                    np.sin(np.abs(m) * azi)
-            else:
-                ylm = pnm_bar(n, m, np.cos(pol)) * np.cos(m * azi)
-
-            # Un-normalize for comparison
-            ylm /= np.sqrt(2. * n + 1.)
-            ref_vals.append(ylm)
-
-    test_vals = []
-    test_vals = openmc.lib.math.calc_rn(max_order, test_uvw)
-
-    assert np.allclose(ref_vals, test_vals)
-
-
-def test_calc_zn():
-    n = 10
-    rho = 0.5
-    phi = 0.5
-
-    # Reference solution from running the C++ implementation
-    ref_vals = np.array([
-        1.00000000e+00, 2.39712769e-01, 4.38791281e-01,
-        2.10367746e-01, -5.00000000e-01, 1.35075576e-01,
-        1.24686873e-01, -2.99640962e-01, -5.48489101e-01,
-        8.84215021e-03, 5.68310892e-02, -4.20735492e-01,
-        -1.25000000e-01, -2.70151153e-01, -2.60091773e-02,
-        1.87022545e-02, -3.42888902e-01, 1.49820481e-01,
-        2.74244551e-01, -2.43159131e-02, -2.50357380e-02,
-        2.20500013e-03, -1.98908812e-01, 4.07587508e-01,
-        4.37500000e-01, 2.61708929e-01, 9.10321205e-02,
-        -1.54686328e-02, -2.74049397e-03, -7.94845816e-02,
-        4.75368705e-01, 7.11647284e-02, 1.30266162e-01,
-        3.37106977e-02, 1.06401886e-01, -7.31606787e-03,
-        -2.95625975e-03, -1.10250006e-02, 3.55194307e-01,
-        -1.44627826e-01, -2.89062500e-01, -9.28644588e-02,
-        -1.62557358e-01, 7.73431638e-02, -2.55329539e-03,
-        -1.90923851e-03, 1.57578403e-02, 1.72995854e-01,
-        -3.66267690e-01, -1.81657333e-01, -3.32521518e-01,
-        -2.59738162e-02, -2.31580576e-01, 4.20673902e-02,
-        -4.11710546e-04, -9.36449487e-04, 1.92156884e-02,
-        2.82515641e-02, -3.90713738e-01, -1.69280296e-01,
-        -8.98437500e-02, -1.08693628e-01, 1.78813094e-01,
-        -1.98191857e-01, 1.65964201e-02, 2.77013853e-04])
-
-    test_vals = openmc.lib.math.calc_zn(n, rho, phi)
-
-    assert np.allclose(ref_vals, test_vals)
-
-
-def test_calc_zn_rad():
-    n = 10
-    rho = 0.5
-
-    # Reference solution from running the C++ implementation
-    ref_vals = np.array([
-        1.00000000e+00, -5.00000000e-01, -1.25000000e-01,
-        4.37500000e-01, -2.89062500e-01,-8.98437500e-02])
-
-    test_vals = openmc.lib.math.calc_zn_rad(n, rho)
-
-    assert np.allclose(ref_vals, test_vals)
-
-
-def test_rotate_angle():
-    uvw0 = np.array([1., 0., 0.])
-    phi = 0.
-    mu = 0.
-
-    # reference: mu of 0 pulls the vector the bottom, so:
-    ref_uvw = np.array([0., 0., -1.])
-
-    test_uvw = openmc.lib.math.rotate_angle(uvw0, mu, phi)
-
-    assert np.array_equal(ref_uvw, test_uvw)
-
-    # Repeat for mu = 1 (no change)
-    mu = 1.
-    ref_uvw = np.array([1., 0., 0.])
-
-    test_uvw = openmc.lib.math.rotate_angle(uvw0, mu, phi)
-
-    assert np.array_equal(ref_uvw, test_uvw)
-
-    # Now to test phi is None
-    mu = 0.9
-    phi = None
-    prn_seed = 1
-
-    # When seed = 1, phi will be sampled as 1.9116495709698769
-    # The resultant reference is from hand-calculations given the above
-    ref_uvw = [0.9, -0.422746750548505, 0.10623175090659095]
-    test_uvw = openmc.lib.math.rotate_angle(uvw0, mu, phi, prn_seed)
-
-    assert np.allclose(ref_uvw, test_uvw)
-
-
-def test_maxwell_spectrum():
-    prn_seed = 1
-    T = 0.5
-    ref_val = 0.27767406743161277
-    test_val = openmc.lib.math.maxwell_spectrum(T, prn_seed)
-
-    assert ref_val == test_val
-
-
-def test_watt_spectrum():
-    prn_seed = 1
-    a = 0.5
-    b = 0.75
-    ref_val = 0.30957476387766697
-    test_val = openmc.lib.math.watt_spectrum(a, b, prn_seed)
-
-    assert ref_val == test_val
-
-
-def test_normal_dist():
-    # When standard deviation is zero, sampled value should be mean
-    prn_seed = 1
-    mean = 14.08
-    stdev = 0.0
-    ref_val = 14.08
-    test_val = openmc.lib.math.normal_variate(mean, stdev, prn_seed)
-    assert ref_val == pytest.approx(test_val)
-
-    # Use Shapiro-Wilk test to ensure normality of sampled vairates
-    stdev = 1.0
-    samples = []
-    num_samples = 10000
-    for _ in range(num_samples):
-        # sample the normal distribution from openmc
-        samples.append(openmc.lib.math.normal_variate(mean, stdev, prn_seed))
-        prn_seed += 1
-    stat, p = shapiro(samples)
-    assert p > 0.05
-
-
-def test_broaden_wmp_polynomials():
-    # Two branches of the code to worry about, beta > 6 and otherwise
-    # beta = sqrtE * dopp
-    # First lets do beta > 6
-    test_E = 0.5
-    test_dopp = 100.  # approximately U235 at room temperature
-    n = 6
-
-    ref_val = [2., 1.41421356, 1.0001, 0.70731891, 0.50030001, 0.353907]
-    test_val = openmc.lib.math.broaden_wmp_polynomials(test_E, test_dopp, n)
-
-    assert np.allclose(ref_val, test_val)
-
-    # now beta < 6
-    test_dopp = 5.
-    ref_val = [1.99999885, 1.41421356, 1.04, 0.79195959, 0.6224, 0.50346003]
-    test_val = openmc.lib.math.broaden_wmp_polynomials(test_E, test_dopp, n)
-
-    assert np.allclose(ref_val, test_val)

From 3dff03f8249223751a34f701cd89e7959ba57fe8 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 19 Jun 2024 15:47:08 -0500
Subject: [PATCH 2113/2654] Resolve warnings related to numpy 2.0 (#3044)

---
 openmc/mgxs_library.py                            | 10 +++++-----
 openmc/statepoint.py                              |  2 +-
 tests/regression_tests/mg_temperature/build_2g.py |  5 +++--
 tests/unit_tests/test_stats.py                    |  9 ---------
 4 files changed, 9 insertions(+), 17 deletions(-)

diff --git a/openmc/mgxs_library.py b/openmc/mgxs_library.py
index 3381c3abb..b840563cf 100644
--- a/openmc/mgxs_library.py
+++ b/openmc/mgxs_library.py
@@ -1862,7 +1862,7 @@ class XSdata:
                                 table_fine[..., imu] += ((l + 0.5)
                                      * eval_legendre(l, mu_fine[imu]) *
                                      orig_data[..., l])
-                        new_data[..., h_bin] = integrate(table_fine, mu_fine)
+                        new_data[..., h_bin] = integrate(table_fine, x=mu_fine)
 
             elif self.scatter_format == SCATTER_TABULAR:
                 # Calculate the mu points of the current data
@@ -1876,7 +1876,7 @@ class XSdata:
                     for l in range(xsdata.num_orders):
                         y = (interp1d(mu_self, orig_data)(mu_fine) *
                              eval_legendre(l, mu_fine))
-                        new_data[..., l] = integrate(y, mu_fine)
+                        new_data[..., l] = integrate(y, x=mu_fine)
 
                 elif target_format == SCATTER_TABULAR:
                     # Simply use an interpolating function to get the new data
@@ -1895,7 +1895,7 @@ class XSdata:
                     interp = interp1d(mu_self, orig_data)
                     for h_bin in range(xsdata.num_orders):
                         mu_fine = np.linspace(mu[h_bin], mu[h_bin + 1], _NMU)
-                        new_data[..., h_bin] = integrate(interp(mu_fine), mu_fine)
+                        new_data[..., h_bin] = integrate(interp(mu_fine), x=mu_fine)
 
             elif self.scatter_format == SCATTER_HISTOGRAM:
                 # The histogram format does not have enough information to
@@ -1921,7 +1921,7 @@ class XSdata:
                     mu_fine = np.linspace(-1, 1, _NMU)
                     for l in range(xsdata.num_orders):
                         y = interp(mu_fine) * norm * eval_legendre(l, mu_fine)
-                        new_data[..., l] = integrate(y, mu_fine)
+                        new_data[..., l] = integrate(y, x=mu_fine)
 
                 elif target_format == SCATTER_TABULAR:
                     # Simply use an interpolating function to get the new data
@@ -1940,7 +1940,7 @@ class XSdata:
                     for h_bin in range(xsdata.num_orders):
                         mu_fine = np.linspace(mu[h_bin], mu[h_bin + 1], _NMU)
                         new_data[..., h_bin] = \
-                            norm * integrate(interp(mu_fine), mu_fine)
+                            norm * integrate(interp(mu_fine), x=mu_fine)
 
             # Remove small values resulting from numerical precision issues
             new_data[..., np.abs(new_data) < 1.E-10] = 0.
diff --git a/openmc/statepoint.py b/openmc/statepoint.py
index f6df01bd4..13aac0caf 100644
--- a/openmc/statepoint.py
+++ b/openmc/statepoint.py
@@ -235,7 +235,7 @@ class StatePoint:
         if self._global_tallies is None:
             data = self._f['global_tallies'][()]
             gt = np.zeros(data.shape[0], dtype=[
-                ('name', 'a14'), ('sum', 'f8'), ('sum_sq', 'f8'),
+                ('name', 'S14'), ('sum', 'f8'), ('sum_sq', 'f8'),
                 ('mean', 'f8'), ('std_dev', 'f8')])
             gt['name'] = ['k-collision', 'k-absorption', 'k-tracklength',
                           'leakage']
diff --git a/tests/regression_tests/mg_temperature/build_2g.py b/tests/regression_tests/mg_temperature/build_2g.py
index f236031a7..1fb723449 100644
--- a/tests/regression_tests/mg_temperature/build_2g.py
+++ b/tests/regression_tests/mg_temperature/build_2g.py
@@ -289,8 +289,9 @@ def build_inf_model(xsnames, xslibname, temperature, tempmethod='nearest'):
     settings_file.output = {'summary': False}
     # Create an initial uniform spatial source distribution over fissionable zones
     bounds = [-INF, -INF, -INF, INF, INF, INF]
-    uniform_dist = openmc.stats.Box(bounds[:3], bounds[3:], only_fissionable=True)
+    uniform_dist = openmc.stats.Box(bounds[:3], bounds[3:])
     settings_file.temperature = {'method': tempmethod}
-    settings_file.source = openmc.IndependentSource(space=uniform_dist)
+    settings_file.source = openmc.IndependentSource(
+        space=uniform_dist, constraints={'fissionable': True})
     model.settings = settings_file
     model.export_to_model_xml()
diff --git a/tests/unit_tests/test_stats.py b/tests/unit_tests/test_stats.py
index f5b467d03..5451c0a2c 100644
--- a/tests/unit_tests/test_stats.py
+++ b/tests/unit_tests/test_stats.py
@@ -376,15 +376,6 @@ def test_box():
     d = openmc.stats.Box.from_xml_element(elem)
     assert d.lower_left == pytest.approx(lower_left)
     assert d.upper_right == pytest.approx(upper_right)
-    assert not d.only_fissionable
-
-    # only fissionable parameter
-    d2 = openmc.stats.Box(lower_left, upper_right, True)
-    assert d2.only_fissionable
-    elem = d2.to_xml_element()
-    assert elem.attrib['type'] == 'fission'
-    d = openmc.stats.Spatial.from_xml_element(elem)
-    assert isinstance(d, openmc.stats.Box)
 
 
 def test_point():

From 390005e8411f689f8529c73e35709ac581b42e44 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 20 Jun 2024 09:26:53 -0500
Subject: [PATCH 2114/2654] Make sure time boundary doesn't prevent secondary
 particle creation (#3043)

---
 src/simulation.cpp | 16 +++++++++-------
 1 file changed, 9 insertions(+), 7 deletions(-)

diff --git a/src/simulation.cpp b/src/simulation.cpp
index e218cdb29..2d5d75aa4 100644
--- a/src/simulation.cpp
+++ b/src/simulation.cpp
@@ -762,13 +762,15 @@ void transport_history_based_single_particle(Particle& p)
 {
   while (p.alive()) {
     p.event_calculate_xs();
-    if (!p.alive())
-      break;
-    p.event_advance();
-    if (p.collision_distance() > p.boundary().distance) {
-      p.event_cross_surface();
-    } else {
-      p.event_collide();
+    if (p.alive()) {
+      p.event_advance();
+    }
+    if (p.alive()) {
+      if (p.collision_distance() > p.boundary().distance) {
+        p.event_cross_surface();
+      } else if (p.alive()) {
+        p.event_collide();
+      }
     }
     p.event_revive_from_secondary();
   }

From 78ee851990bd63608324b630d960ef007a5c2a3f Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 20 Jun 2024 09:27:49 -0500
Subject: [PATCH 2115/2654] Determine whether nuclides are fissionable in
 volume calc mode (#3047)

Co-authored-by: Patrick Shriwise <pshriwise@gmail.com>
---
 src/nuclide.cpp              | 13 +++++++++++++
 tests/unit_tests/test_lib.py |  8 +++++++-
 2 files changed, 20 insertions(+), 1 deletion(-)

diff --git a/src/nuclide.cpp b/src/nuclide.cpp
index 91adc0777..04ec11073 100644
--- a/src/nuclide.cpp
+++ b/src/nuclide.cpp
@@ -63,6 +63,19 @@ Nuclide::Nuclide(hid_t group, const vector<double>& temperature)
   read_attribute(group, "atomic_weight_ratio", awr_);
 
   if (settings::run_mode == RunMode::VOLUME) {
+    // Determine whether nuclide is fissionable and then exit
+    int mt;
+    hid_t rxs_group = open_group(group, "reactions");
+    for (auto name : group_names(rxs_group)) {
+      if (starts_with(name, "reaction_")) {
+        hid_t rx_group = open_group(rxs_group, name.c_str());
+        read_attribute(rx_group, "mt", mt);
+        if (is_fission(mt)) {
+          fissionable_ = true;
+          break;
+        }
+      }
+    }
     return;
   }
 
diff --git a/tests/unit_tests/test_lib.py b/tests/unit_tests/test_lib.py
index 009a90968..e3c7ce3b7 100644
--- a/tests/unit_tests/test_lib.py
+++ b/tests/unit_tests/test_lib.py
@@ -963,7 +963,8 @@ def test_sample_external_source(run_in_tmpdir, mpi_intracomm):
     model.settings.source = openmc.IndependentSource(
         space=openmc.stats.Box([-5., -5., -5.], [5., 5., 5.]),
         angle=openmc.stats.Monodirectional((0., 0., 1.)),
-        energy=openmc.stats.Discrete([1.0e5], [1.0])
+        energy=openmc.stats.Discrete([1.0e5], [1.0]),
+        constraints={'fissionable': True}
     )
     model.settings.particles = 1000
     model.settings.batches = 10
@@ -993,3 +994,8 @@ def test_sample_external_source(run_in_tmpdir, mpi_intracomm):
         assert p1.wgt == p2.wgt
 
     openmc.lib.finalize()
+
+    # Make sure sampling works in volume calculation mode
+    openmc.lib.init(["-c"])
+    openmc.lib.sample_external_source(100)
+    openmc.lib.finalize()

From 4bd0b09e608ed4b27e7bf5e158e44d4147457f2e Mon Sep 17 00:00:00 2001
From: Ethan Peterson <ethan.peterson@mit.edu>
Date: Thu, 20 Jun 2024 11:14:55 -0700
Subject: [PATCH 2116/2654] Avoiding more numpy 2.0 deprecation warnings
 (#3049)

---
 openmc/model/surface_composite.py | 16 ++++++++--------
 1 file changed, 8 insertions(+), 8 deletions(-)

diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index 7c134e843..2945f73b7 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -972,19 +972,19 @@ class Polygon(CompositeSurface):
         # Check if polygon is self-intersecting by comparing edges pairwise
         n = len(points)
         for i in range(n):
-            p0 = points[i, :]
-            p1 = points[(i + 1) % n, :]
+            p0 = np.append(points[i, :], 0)
+            p1 = np.append(points[(i + 1) % n, :], 0)
             for j in range(i + 1, n):
-                p2 = points[j, :]
-                p3 = points[(j + 1) % n, :]
+                p2 = np.append(points[j, :], 0)
+                p3 = np.append(points[(j + 1) % n, :], 0)
                 # Compute orientation of p0 wrt p2->p3 line segment
-                cp0 = np.cross(p3-p0, p2-p0)
+                cp0 = np.cross(p3-p0, p2-p0)[-1]
                 # Compute orientation of p1 wrt p2->p3 line segment
-                cp1 = np.cross(p3-p1, p2-p1)
+                cp1 = np.cross(p3-p1, p2-p1)[-1]
                 # Compute orientation of p2 wrt p0->p1 line segment
-                cp2 = np.cross(p1-p2, p0-p2)
+                cp2 = np.cross(p1-p2, p0-p2)[-1]
                 # Compute orientation of p3 wrt p0->p1 line segment
-                cp3 = np.cross(p1-p3, p0-p3)
+                cp3 = np.cross(p1-p3, p0-p3)[-1]
 
                 # Group cross products in an array and find out how many are 0
                 cross_products = np.array([[cp0, cp1], [cp2, cp3]])

From 00faa7d698251be80970ce50460c860dbfdc34cb Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 21 Jun 2024 18:21:13 -0500
Subject: [PATCH 2117/2654] Set DAGMC cell instances on surface crossing
 (#3052)

---
 src/particle.cpp                                    |  9 +++++++--
 .../dagmc/universes/inputs_true.dat                 | 13 +++++++++++--
 .../dagmc/universes/results_true.dat                | 13 ++++++++++++-
 tests/regression_tests/dagmc/universes/test.py      | 11 +++++++++--
 4 files changed, 39 insertions(+), 7 deletions(-)

diff --git a/src/particle.cpp b/src/particle.cpp
index 0c6a33b78..7d30e26bd 100644
--- a/src/particle.cpp
+++ b/src/particle.cpp
@@ -557,9 +557,14 @@ void Particle::cross_surface(const Surface& surf)
     sqrtkT_last() = sqrtkT();
     // set new cell value
     lowest_coord().cell = i_cell;
+    auto& cell = model::cells[i_cell];
+
     cell_instance() = 0;
-    material() = model::cells[i_cell]->material_[0];
-    sqrtkT() = model::cells[i_cell]->sqrtkT_[0];
+    if (cell->distribcell_index_ >= 0)
+      cell_instance() = cell_instance_at_level(*this, n_coord() - 1);
+
+    material() = cell->material(cell_instance());
+    sqrtkT() = cell->sqrtkT(cell_instance());
     return;
   }
 #endif
diff --git a/tests/regression_tests/dagmc/universes/inputs_true.dat b/tests/regression_tests/dagmc/universes/inputs_true.dat
index babf43ff1..4b5be3612 100644
--- a/tests/regression_tests/dagmc/universes/inputs_true.dat
+++ b/tests/regression_tests/dagmc/universes/inputs_true.dat
@@ -47,9 +47,18 @@
     <run_mode>eigenvalue</run_mode>
     <particles>100</particles>
     <batches>10</batches>
-    <inactive>2</inactive>
+    <inactive>5</inactive>
     <output>
       <summary>false</summary>
     </output>
   </settings>
-  </model>
+  <tallies>
+    <filter id="1" type="cellinstance">
+      <bins>4 0 4 1 4 2 4 3 4 4</bins>
+    </filter>
+    <tally id="1" name="cell instance tally">
+      <filters>1</filters>
+      <scores>scatter</scores>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/dagmc/universes/results_true.dat b/tests/regression_tests/dagmc/universes/results_true.dat
index f7bd016c1..76cbc9db0 100644
--- a/tests/regression_tests/dagmc/universes/results_true.dat
+++ b/tests/regression_tests/dagmc/universes/results_true.dat
@@ -1,2 +1,13 @@
 k-combined:
-9.156561E-01 4.398617E-02
+9.887663E-01 1.510336E-02
+tally 1:
+4.340758E+00
+4.265459E+00
+4.712319E+00
+4.654778E+00
+4.151897E+00
+3.588090E+00
+2.965925E+00
+1.852746E+00
+0.000000E+00
+0.000000E+00
diff --git a/tests/regression_tests/dagmc/universes/test.py b/tests/regression_tests/dagmc/universes/test.py
index a318275cd..057a7b0d4 100644
--- a/tests/regression_tests/dagmc/universes/test.py
+++ b/tests/regression_tests/dagmc/universes/test.py
@@ -72,13 +72,20 @@ class DAGMCUniverseTest(PyAPITestHarness):
 
         self._model.geometry = openmc.Geometry([bounding_cell])
 
+        # add a cell instance tally
+        tally = openmc.Tally(name='cell instance tally')
+        # using scattering
+        cell_instance_filter = openmc.CellInstanceFilter(((4, 0), (4, 1), (4, 2), (4, 3), (4, 4)))
+        tally.filters = [cell_instance_filter]
+        tally.scores = ['scatter']
+        self._model.tallies = [tally]
+
         # settings
         self._model.settings.particles = 100
         self._model.settings.batches = 10
-        self._model.settings.inactive = 2
+        self._model.settings.inactive = 5
         self._model.settings.output = {'summary' : False}
 
-
 def test_univ():
     harness = DAGMCUniverseTest('statepoint.10.h5', model=openmc.Model())
     harness.main()

From 55b52b7ef3c9415ce045712132bf31c2a013d8c8 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 21 Jun 2024 20:28:56 -0500
Subject: [PATCH 2118/2654] Release of version 0.15.0 (#3050)

---
 CMakeLists.txt                                |   4 +-
 docs/source/conf.py                           |   4 +-
 docs/source/io_formats/settings.rst           |   4 +-
 docs/source/methods/random_ray.rst            |   4 +-
 docs/source/releasenotes/0.15.0.rst           | 262 ++++++++++++++++++
 docs/source/releasenotes/index.rst            |   1 +
 examples/lattice/hexagonal/build_xml.py       |   5 +-
 examples/lattice/nested/build_xml.py          |   5 +-
 examples/lattice/simple/build_xml.py          |   5 +-
 examples/pincell/build_xml.py                 |   5 +-
 examples/pincell_multigroup/build_xml.py      |   5 +-
 include/openmc/version.h.in                   |   2 +-
 openmc/__init__.py                            |   2 +-
 openmc/deplete/abc.py                         |   4 +-
 openmc/deplete/microxs.py                     |   2 +-
 openmc/lib/mesh.py                            |   4 +-
 openmc/mesh.py                                |   4 +-
 openmc/plotter.py                             |   2 +-
 openmc/region.py                              |   2 +-
 openmc/settings.py                            |   4 +-
 openmc/source.py                              |   6 +-
 openmc/stats/multivariate.py                  |   4 +-
 openmc/trigger.py                             |   2 +-
 .../filter_cellfrom/inputs_true.dat           |   5 +-
 .../regression_tests/filter_cellfrom/test.py  |   5 +-
 .../case-01/inputs_true.dat                   |   5 +-
 .../case-02/inputs_true.dat                   |   5 +-
 .../case-03/inputs_true.dat                   |   5 +-
 .../case-04/inputs_true.dat                   |   5 +-
 .../case-05/inputs_true.dat                   |   5 +-
 .../case-06/inputs_true.dat                   |   5 +-
 .../case-07/inputs_true.dat                   |   5 +-
 .../case-08/inputs_true.dat                   |   5 +-
 .../case-09/inputs_true.dat                   |   5 +-
 .../case-10/inputs_true.dat                   |   5 +-
 .../case-11/inputs_true.dat                   |   5 +-
 .../case-12/inputs_true.dat                   |   5 +-
 .../case-13/inputs_true.dat                   |   5 +-
 .../case-14/inputs_true.dat                   |   5 +-
 .../case-15/inputs_true.dat                   |   5 +-
 .../case-16/inputs_true.dat                   |   5 +-
 .../case-17/inputs_true.dat                   |   5 +-
 .../case-18/inputs_true.dat                   |   5 +-
 .../case-19/inputs_true.dat                   |   5 +-
 .../case-20/inputs_true.dat                   |   5 +-
 .../case-21/inputs_true.dat                   |   5 +-
 .../case-a01/inputs_true.dat                  |   5 +-
 .../case-d01/inputs_true.dat                  |   5 +-
 .../case-d02/inputs_true.dat                  |   5 +-
 .../case-d03/inputs_true.dat                  |   5 +-
 .../case-d04/inputs_true.dat                  |   5 +-
 .../case-d05/inputs_true.dat                  |   5 +-
 .../case-d06/inputs_true.dat                  |   5 +-
 .../case-d07/inputs_true.dat                  |   5 +-
 .../case-d08/inputs_true.dat                  |   5 +-
 .../case-e01/inputs_true.dat                  |   5 +-
 .../case-e02/inputs_true.dat                  |   5 +-
 .../case-e03/inputs_true.dat                  |   5 +-
 .../surface_source_write/test.py              |  30 +-
 tests/unit_tests/test_tracks.py               |   2 +-
 60 files changed, 464 insertions(+), 85 deletions(-)
 create mode 100644 docs/source/releasenotes/0.15.0.rst

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 98473e492..8a000c9b9 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -3,8 +3,8 @@ project(openmc C CXX)
 
 # Set version numbers
 set(OPENMC_VERSION_MAJOR 0)
-set(OPENMC_VERSION_MINOR 14)
-set(OPENMC_VERSION_RELEASE 1)
+set(OPENMC_VERSION_MINOR 15)
+set(OPENMC_VERSION_RELEASE 0)
 set(OPENMC_VERSION ${OPENMC_VERSION_MAJOR}.${OPENMC_VERSION_MINOR}.${OPENMC_VERSION_RELEASE})
 configure_file(include/openmc/version.h.in "${CMAKE_BINARY_DIR}/include/openmc/version.h" @ONLY)
 
diff --git a/docs/source/conf.py b/docs/source/conf.py
index 53d529f3d..19c04d98a 100644
--- a/docs/source/conf.py
+++ b/docs/source/conf.py
@@ -69,9 +69,9 @@ copyright = '2011-2024, Massachusetts Institute of Technology, UChicago Argonne
 # built documents.
 #
 # The short X.Y version.
-version = "0.14"
+version = "0.15"
 # The full version, including alpha/beta/rc tags.
-release = "0.14.1-dev"
+release = "0.15.0"
 
 # The language for content autogenerated by Sphinx. Refer to documentation
 # for a list of supported languages.
diff --git a/docs/source/io_formats/settings.rst b/docs/source/io_formats/settings.rst
index 915f698b6..e395ada68 100644
--- a/docs/source/io_formats/settings.rst
+++ b/docs/source/io_formats/settings.rst
@@ -284,9 +284,9 @@ then, OpenMC will only use up to the :math:`P_1` data.
   .. note:: This element is not used in the continuous-energy
     :ref:`energy_mode`.
 
-------------------------
+--------------------------------
 ``<max_history_splits>`` Element
-------------------------
+--------------------------------
 
 The ``<max_history_splits>`` element indicates the number of times a particle can split during a history.
 
diff --git a/docs/source/methods/random_ray.rst b/docs/source/methods/random_ray.rst
index e0fff792e..427ba1148 100644
--- a/docs/source/methods/random_ray.rst
+++ b/docs/source/methods/random_ray.rst
@@ -100,11 +100,11 @@ terms on the right hand side.
 .. math::
     :label: transport
 
-    \begin{align*}
+    \begin{aligned}
     \mathbf{\Omega} \cdot \mathbf{\nabla} \psi(\mathbf{r},\mathbf{\Omega},E) & + \Sigma_t(\mathbf{r},E) \psi(\mathbf{r},\mathbf{\Omega},E) = \\
     & \int_0^\infty d E^\prime \int_{4\pi} d \Omega^{\prime} \Sigma_s(\mathbf{r},\mathbf{\Omega}^\prime \rightarrow \mathbf{\Omega}, E^\prime \rightarrow E) \psi(\mathbf{r},\mathbf{\Omega}^\prime, E^\prime) \\
     & + \frac{\chi(\mathbf{r}, E)}{4\pi k_{eff}} \int_0^\infty dE^\prime \nu \Sigma_f(\mathbf{r},E^\prime) \int_{4\pi}d \Omega^\prime \psi(\mathbf{r},\mathbf{\Omega}^\prime,E^\prime)
-    \end{align*}
+    \end{aligned}
 
 In Equation :eq:`transport`, :math:`\psi` is the angular neutron flux. This
 parameter represents the total distance traveled by all neutrons in a particular
diff --git a/docs/source/releasenotes/0.15.0.rst b/docs/source/releasenotes/0.15.0.rst
new file mode 100644
index 000000000..069bfd783
--- /dev/null
+++ b/docs/source/releasenotes/0.15.0.rst
@@ -0,0 +1,262 @@
+====================
+What's New in 0.15.0
+====================
+
+.. currentmodule:: openmc
+
+-------
+Summary
+-------
+
+This release of OpenMC includes many bug fixes, performance improvements, and
+several notable new features. The major highlight of this release is the
+introduction of a new transport solver based on the random ray method, which is
+fully described in the :ref:`user's guide <random_ray>`. Other notable additions
+include a mesh-based source class (:class:`openmc.MeshSource`), a generalization
+of source domain rejection through the notion of "constraints", and new methods
+on mesh-based classes for computing material volume fractions and homogenized
+materials.
+
+------------------------------------
+Compatibility Notes and Deprecations
+------------------------------------
+
+Previously, specifying domain rejection for a source was only possible on the
+:class:`~openmc.IndependentSoure` class and worked by specifying a `domains`
+argument. This capability has been generalized to all source classes and
+expanded as well; specifying a domain to reject on should now be done with the
+`constraints` argument as follows::
+
+    source = openmc.IndependentSource(..., constraints={'domains': [cell]})
+
+The `domains` argument is deprecated and will be removed in a future version of
+OpenMC. Similarly, the ``only_fissionable`` argument to
+:class:`openmc.stats.Box` has been replaced by a `'fissionable'` constraint.
+That is, instead of specifying::
+
+    space = openmc.stats.Box(lower_left, upper_right, only_fissionable=True)
+    source = openmc.IndependentSource(space=space)
+
+You should now provide the constraint as::
+
+    space = openmc.stats.Box(lower_left, upper_right)
+    source = openmc.IndependentSource(space=space, constraints={'fissionable': True})
+
+The :attr:`openmc.Settings.max_splits` attribute was renamed to
+``max_history_splits`` and its default value has been changed to 1e7 (`#2954
+<https://github.com/openmc-dev/openmc/pull/2954>`_).
+
+------------
+New Features
+------------
+
+- When running OpenMC in volume calculation mode, only atomic weight ratio data
+  is loaded from data files which reduces initialization time. (`#2741
+  <https://github.com/openmc-dev/openmc/pull/2741>`_)
+- Introduced a ``GeometryState`` class in C++ to better separate particle and
+  geometry data. (`#2744 <https://github.com/openmc-dev/openmc/pull/2744>`_))
+- A new :class:`openmc.MaterialFromFilter` class allows filtering tallies by
+  which material a particle came from. (`#2750
+  <https://github.com/openmc-dev/openmc/pull/2750>`_)
+- Implemented a :meth:`openmc.deplete.MicroXS.from_multigroup_flux` method that
+  generates microscopic cross sections for depletion from a predetermined
+  multigroup flux. (`#2755 <https://github.com/openmc-dev/openmc/pull/2755>`_)
+- A new :class:`openmc.MeshSource` class enables the specification of a source
+  distribution over a mesh, where each mesh element has a different
+  energy/angle/time distribution. (`#2759
+  <https://github.com/openmc-dev/openmc/pull/2759>`_)
+- Improve performance of depletion solver by utilizing CSR sparse matrix
+  representation. (`#2764 <https://github.com/openmc-dev/openmc/pull/2764>`_,
+  `#2771 <https://github.com/openmc-dev/openmc/pull/2771>`_)
+- Added a :meth:`openmc.CylindricalMesh.get_indices_at_coords` method that
+  provides the mesh element index corresponding to a given point in space.
+  (`#2782 <https://github.com/openmc-dev/openmc/pull/2782>`_)
+- Added a `path` argument to the :meth:`openmc.deplete.Integrator.integrate`
+  method. (`#2784 <https://github.com/openmc-dev/openmc/pull/2784>`_)
+- Added a :meth:`openmc.Geometry.get_all_nuclides` method. (`#2796
+  <https://github.com/openmc-dev/openmc/pull/2796>`_)
+- A new capability to compute material volume fractions over mesh elements was
+  added in the :meth:`openmc.lib.Mesh.material_volumes` method. (`#2802
+  <https://github.com/openmc-dev/openmc/pull/2802>`_)
+- A new transport solver was added based on the `random ray
+  <https://doi.org/10.1016/j.jcp.2017.04.038>`_ method. (`#2823
+  <https://github.com/openmc-dev/openmc/pull/2823>`_, `#2988
+  <https://github.com/openmc-dev/openmc/pull/2988>`_)
+- Added a :attr:`openmc.lib.Material.depletable` attribute. (`#2843
+  <https://github.com/openmc-dev/openmc/pull/2843>`_)
+- Added a :meth:`openmc.lib.Mesh.get_plot_bins` method and corresponding
+  ``openmc_mesh_get_plot_bins`` C API function that can be utilized to generate
+  mesh tally visualizations in the plotter application. (`#2854
+  <https://github.com/openmc-dev/openmc/pull/2854>`_)
+- Introduced a :func:`openmc.read_source_file` function that enables reading a
+  source file from the Python API. (`#2858
+  <https://github.com/openmc-dev/openmc/pull/2858>`_)
+- Added a ``bounding_box`` property on the :class:`openmc.RectilinearMesh` and
+  :class:`openmc.UnstructuredMesh` classes. (`#2861
+  <https://github.com/openmc-dev/openmc/pull/2861>`_)
+- Added a ``openmc_mesh_get_volumes`` C API function. (`#2869
+  <https://github.com/openmc-dev/openmc/pull/2869>`_)
+- The :attr:`openmc.Settings.surf_source_write` dictionary now accepts `cell`,
+  `cellfrom`, or `cellto` keys that limit surface source sites to those entering
+  or leaving specific cells. (`#2888
+  <https://github.com/openmc-dev/openmc/pull/2888>`_)
+- Added a :meth:`openmc.Region.plot` method that allows regions to be plotted
+  directly. (`#2895 <https://github.com/openmc-dev/openmc/pull/2895>`_)
+- Implemented "contains" operator for the :class:`openmc.BoundingBox` class.
+  (`#2906 <https://github.com/openmc-dev/openmc/pull/2906>`_)
+- Generalized source rejection via a new ``constraints`` argument to all source
+  classes. (`#2916 <https://github.com/openmc-dev/openmc/pull/2916>`_)
+- Added a new :class:`openmc.MeshBornFilter` class that filters tally events
+  based on which mesh element a particle was born in. (`#2925
+  <https://github.com/openmc-dev/openmc/pull/2925>`_)
+- The :class:`openmc.Trigger` class now has a ``ignore_zeros`` argument that
+  results in any bins with zero score to be ignored when checking the trigger.
+  (`#2928 <https://github.com/openmc-dev/openmc/pull/2928>`_)
+- Introduced a :attr:`openmc.Settings.max_events` attribute that controls the
+  maximum number of events a particle can undergo. (`#2945
+  <https://github.com/openmc-dev/openmc/pull/2945>`_)
+- Added support for :class:`openmc.UnstructuredMesh` in the
+  :class:`openmc.MeshSource` class. (`#2949
+  <https://github.com/openmc-dev/openmc/pull/2949>`_)
+- Added a :meth:`openmc.MeshBase.get_homogenized_materials` method that computes
+  homogenized materials over mesh elements. (`#2971
+  <https://github.com/openmc-dev/openmc/pull/2971>`_)
+- Add an ``options`` argument to :class:`openmc.UnstructuredMesh` that allows
+  configuring underlying data structures in MOAB. (`#2976
+  <https://github.com/openmc-dev/openmc/pull/2976>`_)
+- Type hints were added to several classes in the :mod:`openmc.deplete` module.
+  (`#2866 <https://github.com/openmc-dev/openmc/pull/2866>`_)
+
+---------
+Bug Fixes
+---------
+
+- Fix unit conversion in openmc.deplete.Results.get_mass (`#2761 <https://github.com/openmc-dev/openmc/pull/2761>`_)
+- Fix Lagrangian interpolation (`#2775 <https://github.com/openmc-dev/openmc/pull/2775>`_)
+- Depletion restart with MPI (`#2778 <https://github.com/openmc-dev/openmc/pull/2778>`_)
+- Modify depletion transfer rates test to be more robust (`#2779 <https://github.com/openmc-dev/openmc/pull/2779>`_)
+- Call simulation_finalize if needed when finalizing OpenMC (`#2790 <https://github.com/openmc-dev/openmc/pull/2790>`_)
+- F90_NONE Removal (MGMC tallying optimization) (`#2785 <https://github.com/openmc-dev/openmc/pull/2785>`_)
+- Correctly apply volumes to materials when using DAGMC geometries (`#2787 <https://github.com/openmc-dev/openmc/pull/2787>`_)
+- Add inline to openmc::interpolate (`#2789 <https://github.com/openmc-dev/openmc/pull/2789>`_)
+- Use huge_tree=True in lxml parsing (`#2791 <https://github.com/openmc-dev/openmc/pull/2791>`_)
+- OpenMPMutex "Copying" (`#2794 <https://github.com/openmc-dev/openmc/pull/2794>`_)
+- Do not link against several transitive dependencies of HDF5 (`#2797 <https://github.com/openmc-dev/openmc/pull/2797>`_)
+- Added check to length of input arguments for IndependantOperator (`#2799 <https://github.com/openmc-dev/openmc/pull/2799>`_)
+- Pytest Update Documentation (`#2801 <https://github.com/openmc-dev/openmc/pull/2801>`_)
+- Move 'import lxml' to third-party block of imports (`#2803 <https://github.com/openmc-dev/openmc/pull/2803>`_)
+- Fix creation of meshes when from loading settings from XML (`#2805 <https://github.com/openmc-dev/openmc/pull/2805>`_)
+- Avoid high memory use when writing unstructured mesh VTK files (`#2806 <https://github.com/openmc-dev/openmc/pull/2806>`_)
+- Consolidating thread information into the openmp interface header (`#2809 <https://github.com/openmc-dev/openmc/pull/2809>`_)
+- Prevent underflow in calculation of speed (`#2811 <https://github.com/openmc-dev/openmc/pull/2811>`_)
+- Provide error message if a cell path can't be determined (`#2812 <https://github.com/openmc-dev/openmc/pull/2812>`_)
+- Fix distribcell labels for lattices used as fill in multiple cells (`#2813 <https://github.com/openmc-dev/openmc/pull/2813>`_)
+- Make creation of spatial trees based on usage for unstructured mesh. (`#2815 <https://github.com/openmc-dev/openmc/pull/2815>`_)
+- Ensure particle direction is normalized for plotting / volume calculations (`#2816 <https://github.com/openmc-dev/openmc/pull/2816>`_)
+- Added missing meshes to documentation (`#2820 <https://github.com/openmc-dev/openmc/pull/2820>`_)
+- Reset timers at correct place in deplete (`#2821 <https://github.com/openmc-dev/openmc/pull/2821>`_)
+- Fix config change not propagating through to decay energies (`#2825 <https://github.com/openmc-dev/openmc/pull/2825>`_)
+- Ensure that implicit complement cells appear last in DAGMC universes (`#2838 <https://github.com/openmc-dev/openmc/pull/2838>`_)
+- Export model.tallies to XML in CoupledOperator (`#2840 <https://github.com/openmc-dev/openmc/pull/2840>`_)
+- Fix locating h5m files references in DAGMC universes (`#2842 <https://github.com/openmc-dev/openmc/pull/2842>`_)
+- Prepare for NumPy 2.0 (`#2845 <https://github.com/openmc-dev/openmc/pull/2845>`_)
+- Added missing functions and classes to openmc.lib docs (`#2847 <https://github.com/openmc-dev/openmc/pull/2847>`_)
+- Fix compilation on CentOS 7 (missing link to libdl) (`#2849 <https://github.com/openmc-dev/openmc/pull/2849>`_)
+- Adding resulting nuclide to cross section plot legend (`#2851 <https://github.com/openmc-dev/openmc/pull/2851>`_)
+- Updating file extension for Excel files when exporting MGXS data (`#2852 <https://github.com/openmc-dev/openmc/pull/2852>`_)
+- Removed error raising when calling warn (`#2853 <https://github.com/openmc-dev/openmc/pull/2853>`_)
+- Setting ``surf_source_`` attribute for DAGMC surfaces. (`#2857 <https://github.com/openmc-dev/openmc/pull/2857>`_)
+- Changing y axis label for heating plots (`#2859 <https://github.com/openmc-dev/openmc/pull/2859>`_)
+- Removed unused step_index arg from restart (`#2867 <https://github.com/openmc-dev/openmc/pull/2867>`_)
+- Fix issue with Cell::get_contained_cells() utility function (`#2873 <https://github.com/openmc-dev/openmc/pull/2873>`_)
+- Adding energy axis units to plot xs (`#2876 <https://github.com/openmc-dev/openmc/pull/2876>`_)
+- Set OpenMCOperator materials when diff_burnable_mats = True (`#2877 <https://github.com/openmc-dev/openmc/pull/2877>`_)
+- Fix expansion filter merging (`#2882 <https://github.com/openmc-dev/openmc/pull/2882>`_)
+- Added checks that tolerance value is between 0 and 1 (`#2884 <https://github.com/openmc-dev/openmc/pull/2884>`_)
+- Statepoint file loading refactor and CAPI function (`#2886 <https://github.com/openmc-dev/openmc/pull/2886>`_)
+- Added check for length of value passed into EnergyFilter (`#2887 <https://github.com/openmc-dev/openmc/pull/2887>`_)
+- Ensure that Model.run() works when specifying a custom XML path (`#2889 <https://github.com/openmc-dev/openmc/pull/2889>`_)
+- Updating docker file base to bookworm (`#2890 <https://github.com/openmc-dev/openmc/pull/2890>`_)
+- Clarifying documentation for cones (`#2892 <https://github.com/openmc-dev/openmc/pull/2892>`_)
+- Abort on cmake config if openmp requested but not found (`#2893 <https://github.com/openmc-dev/openmc/pull/2893>`_)
+- Tiny updates from experience building on Mac (`#2894 <https://github.com/openmc-dev/openmc/pull/2894>`_)
+- Added damage-energy as optional reaction for micro (`#2903 <https://github.com/openmc-dev/openmc/pull/2903>`_)
+- docs: add missing max_splits in settings specification (`#2910 <https://github.com/openmc-dev/openmc/pull/2910>`_)
+- Changed CI to use latest actions to get away from the Node 16 deprecation. (`#2912 <https://github.com/openmc-dev/openmc/pull/2912>`_)
+- Mkdir to always allow parents and exist ok (`#2914 <https://github.com/openmc-dev/openmc/pull/2914>`_)
+- Fixed small sphinx typo (`#2915 <https://github.com/openmc-dev/openmc/pull/2915>`_)
+- Hexagonal lattice iterators (`#2921 <https://github.com/openmc-dev/openmc/pull/2921>`_)
+- Fix Chain.form_matrix to work with scipy 1.12 (`#2922 <https://github.com/openmc-dev/openmc/pull/2922>`_)
+- Allow get_microxs_and_flux to use OPENMC_CHAIN_FILE environment variable (`#2934 <https://github.com/openmc-dev/openmc/pull/2934>`_)
+- Polygon fix to better handle colinear points (`#2935 <https://github.com/openmc-dev/openmc/pull/2935>`_)
+- Fix CMFD to work with scipy 1.13 (`#2936 <https://github.com/openmc-dev/openmc/pull/2936>`_)
+- Print warning if no natural isotopes when using add_element (`#2938 <https://github.com/openmc-dev/openmc/pull/2938>`_)
+- Update xtl and xtensor submodules (`#2941 <https://github.com/openmc-dev/openmc/pull/2941>`_)
+- Ensure two surfaces with different boundary type are not considered redundant (`#2942 <https://github.com/openmc-dev/openmc/pull/2942>`_)
+- Updated package versions in Dockerfile (`#2946 <https://github.com/openmc-dev/openmc/pull/2946>`_)
+- Add MPI calls to DAGMC external test (`#2948 <https://github.com/openmc-dev/openmc/pull/2948>`_)
+- Eliminate deprecation warnings from scipy and pandas (`#2951 <https://github.com/openmc-dev/openmc/pull/2951>`_)
+- Update math function unit test with catch2 (`#2955 <https://github.com/openmc-dev/openmc/pull/2955>`_)
+- Support track file writing for particle restart runs. (`#2957 <https://github.com/openmc-dev/openmc/pull/2957>`_)
+- Make UWUW optional (`#2965 <https://github.com/openmc-dev/openmc/pull/2965>`_)
+- Allow pure decay IndependentOperator (`#2966 <https://github.com/openmc-dev/openmc/pull/2966>`_)
+- Added fix to cfloat_endf for length 11 endf floats (`#2967 <https://github.com/openmc-dev/openmc/pull/2967>`_)
+- Moved apt get to optional CI parts (`#2970 <https://github.com/openmc-dev/openmc/pull/2970>`_)
+- Update bounding_box docstrings (`#2972 <https://github.com/openmc-dev/openmc/pull/2972>`_)
+- Added extra error checking on spherical mesh creation (`#2973 <https://github.com/openmc-dev/openmc/pull/2973>`_)
+- Update CODEOWNERS file (`#2974 <https://github.com/openmc-dev/openmc/pull/2974>`_)
+- Added error checking on cylindrical mesh (`#2977 <https://github.com/openmc-dev/openmc/pull/2977>`_)
+- Correction for histogram interpolation of Tabular distributions (`#2981 <https://github.com/openmc-dev/openmc/pull/2981>`_)
+- Enforce lower_left in lattice geometry (`#2982 <https://github.com/openmc-dev/openmc/pull/2982>`_)
+- Update random_dist.h comment to be less specific (`#2991 <https://github.com/openmc-dev/openmc/pull/2991>`_)
+- Apply memoization in get_all_universes (`#2995 <https://github.com/openmc-dev/openmc/pull/2995>`_)
+- Make sure skewed dataset is cast to bool properly (`#3001 <https://github.com/openmc-dev/openmc/pull/3001>`_)
+- Hexagonal lattice roundtrip (`#3003 <https://github.com/openmc-dev/openmc/pull/3003>`_)
+- Fix CylinderSector and IsogonalOctagon translations (`#3018 <https://github.com/openmc-dev/openmc/pull/3018>`_)
+- Sets used instead of lists when membership testing (`#3021 <https://github.com/openmc-dev/openmc/pull/3021>`_)
+- Fixing plot xs for when plotting element string reaction (`#3029 <https://github.com/openmc-dev/openmc/pull/3029>`_)
+- Fix shannon entropy broken link (`#3034 <https://github.com/openmc-dev/openmc/pull/3034>`_)
+- Only add png or h5 extension if not present in plots.py (`#3036 <https://github.com/openmc-dev/openmc/pull/3036>`_)
+- Fix non-existent path causing segmentation fault when saving plot (`#3038 <https://github.com/openmc-dev/openmc/pull/3038>`_)
+- Resolve warnings related to numpy 2.0 (`#3044 <https://github.com/openmc-dev/openmc/pull/3044>`_)
+- Update IsogonalOctagon to use xz basis (`#3045 <https://github.com/openmc-dev/openmc/pull/3045>`_)
+- Determine whether nuclides are fissionable in volume calc mode (`#3047 <https://github.com/openmc-dev/openmc/pull/3047>`_)
+- Avoiding more numpy 2.0 deprecation warnings (`#3049 <https://github.com/openmc-dev/openmc/pull/3049>`_)
+- Set DAGMC cell instances on surface crossing (`#3052 <https://github.com/openmc-dev/openmc/pull/3052>`_)
+
+------------
+Contributors
+------------
+
+- `Aidan Crilly <https://github.com/aidancrilly>`_
+- `April Novak <https://github.com/aprilnovak>`_
+- `Davide Mancusi <https://github.com/arekfu>`_
+- `Baptiste Mouginot <https://github.com/bam241>`_
+- `Chris Wagner <https://github.com/chrwagne>`_
+- `Lorenzo Chierici <https://github.com/church89>`_
+- `Catherine Yu <https://github.com/cxtherineyu>`_
+- `Erik Knudsen <https://github.com/ebknudsen>`_
+- `Ethan Peterson <https://github.com/eepeterson>`_
+- `Gavin Ridley <https://github.com/gridley>`_
+- `hsameer481 <https://github.com/hsameer481>`_
+- `Hunter Belanger <https://github.com/HunterBelanger>`_
+- `Isaac Meyer <https://github.com/icmeyer>`_
+- `Jin Whan Bae <https://github.com/jbae11>`_
+- `Joffrey Dorville <https://github.com/JoffreyDorville>`_
+- `John Tramm <https://github.com/jtramm>`_
+- `Yue Jin <https://github.com/kingyue737>`_
+- `Sigfrid Stjärnholm <https://github.com/Kladdy>`_
+- `Kimberly Meagher <https://github.com/kmeag>`_
+- `lhchg <https://github.com/lhchg>`_
+- `Luke Labrie-Cleary <https://github.com/LukeLabrie>`_
+- `Micah Gale <https://github.com/MicahGale>`_
+- `Nicholas Linden <https://github.com/nplinden>`_
+- `pitkajuh <https://github.com/pitkajuh>`_
+- `Rosie Barker <https://github.com/rlbarker>`_
+- `Paul Romano <https://github.com/paulromano>`_
+- `Patrick Shriwise <https://github.com/pshriwise>`_
+- `Jonathan Shimwell <https://github.com/Shimwell>`_
+- `Travis Labossiere-Hickman <https://github.com/tjlaboss>`_
+- `Vanessa Lulla <https://github.com/vanessalulla>`_
+- `Olek Yardas <https://github.com/yardasol>`_
+- `Perry Young <https://github.com/yrrepy>`_
diff --git a/docs/source/releasenotes/index.rst b/docs/source/releasenotes/index.rst
index 6923101cc..bde120589 100644
--- a/docs/source/releasenotes/index.rst
+++ b/docs/source/releasenotes/index.rst
@@ -7,6 +7,7 @@ Release Notes
 .. toctree::
   :maxdepth: 1
 
+  0.15.0
   0.14.0
   0.13.3
   0.13.2
diff --git a/examples/lattice/hexagonal/build_xml.py b/examples/lattice/hexagonal/build_xml.py
index 96ff3f34a..9485d0aa4 100644
--- a/examples/lattice/hexagonal/build_xml.py
+++ b/examples/lattice/hexagonal/build_xml.py
@@ -114,8 +114,9 @@ settings_file.particles = particles
 
 # Create an initial uniform spatial source distribution over fissionable zones
 bounds = [-1, -1, -1, 1, 1, 1]
-uniform_dist = openmc.stats.Box(bounds[:3], bounds[3:], only_fissionable=True)
-settings_file.source = openmc.IndependentSource(space=uniform_dist)
+uniform_dist = openmc.stats.Box(bounds[:3], bounds[3:])
+settings_file.source = openmc.IndependentSource(
+    space=uniform_dist, constraints={'fissionable': True})
 
 settings_file.keff_trigger = {'type' : 'std_dev', 'threshold' : 5E-4}
 settings_file.trigger_active = True
diff --git a/examples/lattice/nested/build_xml.py b/examples/lattice/nested/build_xml.py
index 407a53a23..2db23a46b 100644
--- a/examples/lattice/nested/build_xml.py
+++ b/examples/lattice/nested/build_xml.py
@@ -124,8 +124,9 @@ settings_file.particles = particles
 
 # Create an initial uniform spatial source distribution over fissionable zones
 bounds = [-1, -1, -1, 1, 1, 1]
-uniform_dist = openmc.stats.Box(bounds[:3], bounds[3:], only_fissionable=True)
-settings_file.source = openmc.IndependentSource(space=uniform_dist)
+uniform_dist = openmc.stats.Box(bounds[:3], bounds[3:])
+settings_file.source = openmc.IndependentSource(
+    space=uniform_dist, constraints={'fissionable': True})
 
 settings_file.export_to_xml()
 
diff --git a/examples/lattice/simple/build_xml.py b/examples/lattice/simple/build_xml.py
index 0da8d8cf0..56c466121 100644
--- a/examples/lattice/simple/build_xml.py
+++ b/examples/lattice/simple/build_xml.py
@@ -115,8 +115,9 @@ settings_file.particles = particles
 
 # Create an initial uniform spatial source distribution over fissionable zones
 bounds = [-1, -1, -1, 1, 1, 1]
-uniform_dist = openmc.stats.Box(bounds[:3], bounds[3:], only_fissionable=True)
-settings_file.source = openmc.IndependentSource(space=uniform_dist)
+uniform_dist = openmc.stats.Box(bounds[:3], bounds[3:])
+settings_file.source = openmc.IndependentSource(
+    space=uniform_dist, constraints={'fissionable': True})
 
 settings_file.trigger_active = True
 settings_file.trigger_max_batches = 100
diff --git a/examples/pincell/build_xml.py b/examples/pincell/build_xml.py
index d008c8822..aed0c790f 100644
--- a/examples/pincell/build_xml.py
+++ b/examples/pincell/build_xml.py
@@ -67,8 +67,9 @@ settings.particles = 1000
 # Create an initial uniform spatial source distribution over fissionable zones
 lower_left = (-pitch/2, -pitch/2, -1)
 upper_right = (pitch/2, pitch/2, 1)
-uniform_dist = openmc.stats.Box(lower_left, upper_right, only_fissionable=True)
-settings.source = openmc.IndependentSource(space=uniform_dist)
+uniform_dist = openmc.stats.Box(lower_left, upper_right)
+settings.source = openmc.IndependentSource(
+    space=uniform_dist, constraints={'fissionable': True})
 
 # For source convergence checks, add a mesh that can be used to calculate the
 # Shannon entropy
diff --git a/examples/pincell_multigroup/build_xml.py b/examples/pincell_multigroup/build_xml.py
index 019ae6a11..0971e5de6 100644
--- a/examples/pincell_multigroup/build_xml.py
+++ b/examples/pincell_multigroup/build_xml.py
@@ -113,8 +113,9 @@ settings.particles = 1000
 # Create an initial uniform spatial source distribution over fissionable zones
 lower_left = (-pitch/2, -pitch/2, -1)
 upper_right = (pitch/2, pitch/2, 1)
-uniform_dist = openmc.stats.Box(lower_left, upper_right, only_fissionable=True)
-settings.source = openmc.IndependentSource(space=uniform_dist)
+uniform_dist = openmc.stats.Box(lower_left, upper_right)
+settings.source = openmc.IndependentSource(
+    space=uniform_dist, constraints={'fissionable': True})
 settings.export_to_xml()
 
 ###############################################################################
diff --git a/include/openmc/version.h.in b/include/openmc/version.h.in
index e1c2b0541..a518e0d63 100644
--- a/include/openmc/version.h.in
+++ b/include/openmc/version.h.in
@@ -10,7 +10,7 @@ namespace openmc {
 constexpr int VERSION_MAJOR {@OPENMC_VERSION_MAJOR@};
 constexpr int VERSION_MINOR {@OPENMC_VERSION_MINOR@};
 constexpr int VERSION_RELEASE {@OPENMC_VERSION_RELEASE@};
-constexpr bool VERSION_DEV {true};
+constexpr bool VERSION_DEV {false};
 constexpr std::array<int, 3> VERSION {VERSION_MAJOR, VERSION_MINOR, VERSION_RELEASE};
 // clang-format on
 
diff --git a/openmc/__init__.py b/openmc/__init__.py
index 17b0abe2f..12a3c87d3 100644
--- a/openmc/__init__.py
+++ b/openmc/__init__.py
@@ -39,4 +39,4 @@ from .config import *
 from openmc.model import Model
 
 
-__version__ = '0.14.1-dev'
+__version__ = '0.15.0'
diff --git a/openmc/deplete/abc.py b/openmc/deplete/abc.py
index 5d9b8a240..7bf7f1086 100644
--- a/openmc/deplete/abc.py
+++ b/openmc/deplete/abc.py
@@ -786,7 +786,7 @@ class Integrator(ABC):
         path : PathLike
             Path to file to write. Defaults to 'depletion_results.h5'.
 
-            .. versionadded:: 0.14.1
+            .. versionadded:: 0.15.0
         """
         with change_directory(self.operator.output_dir):
             n = self.operator.initial_condition()
@@ -993,7 +993,7 @@ class SIIntegrator(Integrator):
         path : PathLike
             Path to file to write. Defaults to 'depletion_results.h5'.
 
-            .. versionadded:: 0.14.1
+            .. versionadded:: 0.15.0
         """
         with change_directory(self.operator.output_dir):
             n = self.operator.initial_condition()
diff --git a/openmc/deplete/microxs.py b/openmc/deplete/microxs.py
index 497a5284a..b2ae9f6c7 100644
--- a/openmc/deplete/microxs.py
+++ b/openmc/deplete/microxs.py
@@ -219,7 +219,7 @@ class MicroXS:
         sections available. MicroXS entry will be 0 if the nuclide cross section
         is not found.
 
-        .. versionadded:: 0.14.1
+        .. versionadded:: 0.15.0
 
         Parameters
         ----------
diff --git a/openmc/lib/mesh.py b/openmc/lib/mesh.py
index 4da7baba7..3546112b5 100644
--- a/openmc/lib/mesh.py
+++ b/openmc/lib/mesh.py
@@ -174,7 +174,7 @@ class Mesh(_FortranObjectWithID):
     ) -> List[List[Tuple[Material, float]]]:
         """Determine volume of materials in each mesh element
 
-        .. versionadded:: 0.14.1
+        .. versionadded:: 0.15.0
 
         Parameters
         ----------
@@ -231,7 +231,7 @@ class Mesh(_FortranObjectWithID):
     ) -> np.ndarray:
         """Get mesh bin indices for a rasterized plot.
 
-        .. versionadded:: 0.14.1
+        .. versionadded:: 0.15.0
 
         Parameters
         ----------
diff --git a/openmc/mesh.py b/openmc/mesh.py
index 5456abd1a..ee58ec3b8 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -157,7 +157,7 @@ class MeshBase(IDManagerMixin, ABC):
     ) -> List[openmc.Material]:
         """Generate homogenized materials over each element in a mesh.
 
-        .. versionadded:: 0.14.1
+        .. versionadded:: 0.15.0
 
         Parameters
         ----------
@@ -1487,6 +1487,8 @@ class CylindricalMesh(StructuredMesh):
         ) -> Tuple[int, int, int]:
         """Finds the index of the mesh voxel at the specified x,y,z coordinates.
 
+        .. versionadded:: 0.15.0
+
         Parameters
         ----------
         coords : Sequence[float]
diff --git a/openmc/plotter.py b/openmc/plotter.py
index 8a9a331d8..8b205b79d 100644
--- a/openmc/plotter.py
+++ b/openmc/plotter.py
@@ -169,7 +169,7 @@ def plot_xs(reactions, divisor_types=None, temperature=294., axis=None,
     energy_axis_units : {'eV', 'keV', 'MeV'}
         Units used on the plot energy axis
 
-        .. versionadded:: 0.14.1
+        .. versionadded:: 0.15.0
 
     Returns
     -------
diff --git a/openmc/region.py b/openmc/region.py
index f679129c1..e509b1528 100644
--- a/openmc/region.py
+++ b/openmc/region.py
@@ -344,7 +344,7 @@ class Region(ABC):
     def plot(self, *args, **kwargs):
         """Display a slice plot of the region.
 
-        .. versionadded:: 0.14.1
+        .. versionadded:: 0.15.0
 
         Parameters
         ----------
diff --git a/openmc/settings.py b/openmc/settings.py
index 80d766ab1..fae6f6383 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -113,7 +113,7 @@ class Settings:
     max_particle_events : int
         Maximum number of allowed particle events per source particle.
 
-        .. versionadded:: 0.14.1
+        .. versionadded:: 0.15.0
     max_order : None or int
         Maximum scattering order to apply globally when in multi-group mode.
     max_history_splits : int
@@ -158,7 +158,7 @@ class Settings:
             Starting ray distribution (must be uniform in space and angle) as
             specified by a :class:`openmc.SourceBase` object.
 
-        .. versionadded:: 0.14.1
+        .. versionadded:: 0.15.0
     resonance_scattering : dict
         Settings for resonance elastic scattering. Accepted keys are 'enable'
         (bool), 'method' (str), 'energy_min' (float), 'energy_max' (float), and
diff --git a/openmc/source.py b/openmc/source.py
index 91318f8e9..51ed74de3 100644
--- a/openmc/source.py
+++ b/openmc/source.py
@@ -264,7 +264,7 @@ class IndependentSource(SourceBase):
         Domains to reject based on, i.e., if a sampled spatial location is not
         within one of these domains, it will be rejected.
 
-        .. deprecated:: 0.14.1
+        .. deprecated:: 0.15.0
             Use the `constraints` argument instead.
     constraints : dict
         Constraints on sampled source particles. Valid keys include 'domains',
@@ -482,7 +482,7 @@ class MeshSource(SourceBase):
     strength of the mesh source as a whole is the sum of all source strengths
     applied to the elements.
 
-    .. versionadded:: 0.14.1
+    .. versionadded:: 0.15.0
 
     Parameters
     ----------
@@ -1049,7 +1049,7 @@ def write_source_file(
 def read_source_file(filename: PathLike) -> typing.List[SourceParticle]:
     """Read a source file and return a list of source particles.
 
-    .. versionadded:: 0.14.1
+    .. versionadded:: 0.15.0
 
     Parameters
     ----------
diff --git a/openmc/stats/multivariate.py b/openmc/stats/multivariate.py
index 212083c3c..ce9740ad2 100644
--- a/openmc/stats/multivariate.py
+++ b/openmc/stats/multivariate.py
@@ -769,7 +769,7 @@ class Box(Spatial):
         Whether spatial sites should only be accepted if they occur in
         fissionable materials
 
-        .. deprecated:: 0.14.1
+        .. deprecated:: 0.15.0
             Use the `constraints` argument when defining a source object instead.
 
     Attributes
@@ -782,7 +782,7 @@ class Box(Spatial):
         Whether spatial sites should only be accepted if they occur in
         fissionable materials
 
-        .. deprecated:: 0.14.1
+        .. deprecated:: 0.15.0
             Use the `constraints` argument when defining a source object instead.
 
     """
diff --git a/openmc/trigger.py b/openmc/trigger.py
index 79f5ea5af..be2537e3a 100644
--- a/openmc/trigger.py
+++ b/openmc/trigger.py
@@ -22,7 +22,7 @@ class Trigger(EqualityMixin):
         can cause the trigger to fire prematurely if there are zero scores in
         any bin at the first evaluation.
 
-        .. versionadded:: 0.14.1
+        .. versionadded:: 0.15.0
 
     Attributes
     ----------
diff --git a/tests/regression_tests/filter_cellfrom/inputs_true.dat b/tests/regression_tests/filter_cellfrom/inputs_true.dat
index 8a37e8286..b85f63c6e 100644
--- a/tests/regression_tests/filter_cellfrom/inputs_true.dat
+++ b/tests/regression_tests/filter_cellfrom/inputs_true.dat
@@ -49,9 +49,12 @@
     <batches>15</batches>
     <inactive>5</inactive>
     <source particle="neutron" strength="1.0" type="independent">
-      <space type="fission">
+      <space type="box">
         <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
       </space>
+      <constraints>
+        <fissionable>true</fissionable>
+      </constraints>
     </source>
     <seed>1</seed>
   </settings>
diff --git a/tests/regression_tests/filter_cellfrom/test.py b/tests/regression_tests/filter_cellfrom/test.py
index 8fb7509cb..5559b4c81 100644
--- a/tests/regression_tests/filter_cellfrom/test.py
+++ b/tests/regression_tests/filter_cellfrom/test.py
@@ -142,8 +142,9 @@ def model():
         core_radius,
         core_height / 2.0,
     ]
-    distribution = openmc.stats.Box(bounds[:3], bounds[3:], only_fissionable=True)
-    model.settings.source = openmc.IndependentSource(space=distribution)
+    distribution = openmc.stats.Box(bounds[:3], bounds[3:])
+    model.settings.source = openmc.IndependentSource(
+        space=distribution, constraints={'fissionable': True})
 
     # =============================================================================
     # Tallies
diff --git a/tests/regression_tests/surface_source_write/case-01/inputs_true.dat b/tests/regression_tests/surface_source_write/case-01/inputs_true.dat
index ecca3a9f8..7368debd5 100644
--- a/tests/regression_tests/surface_source_write/case-01/inputs_true.dat
+++ b/tests/regression_tests/surface_source_write/case-01/inputs_true.dat
@@ -42,9 +42,12 @@
     <batches>5</batches>
     <inactive>1</inactive>
     <source particle="neutron" strength="1.0" type="independent">
-      <space type="fission">
+      <space type="box">
         <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
       </space>
+      <constraints>
+        <fissionable>true</fissionable>
+      </constraints>
     </source>
     <surf_source_write>
       <max_particles>300</max_particles>
diff --git a/tests/regression_tests/surface_source_write/case-02/inputs_true.dat b/tests/regression_tests/surface_source_write/case-02/inputs_true.dat
index 8be841ad6..12f15499f 100644
--- a/tests/regression_tests/surface_source_write/case-02/inputs_true.dat
+++ b/tests/regression_tests/surface_source_write/case-02/inputs_true.dat
@@ -42,9 +42,12 @@
     <batches>5</batches>
     <inactive>1</inactive>
     <source particle="neutron" strength="1.0" type="independent">
-      <space type="fission">
+      <space type="box">
         <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
       </space>
+      <constraints>
+        <fissionable>true</fissionable>
+      </constraints>
     </source>
     <surf_source_write>
       <surface_ids>8</surface_ids>
diff --git a/tests/regression_tests/surface_source_write/case-03/inputs_true.dat b/tests/regression_tests/surface_source_write/case-03/inputs_true.dat
index 38faa2a78..cd0f7deda 100644
--- a/tests/regression_tests/surface_source_write/case-03/inputs_true.dat
+++ b/tests/regression_tests/surface_source_write/case-03/inputs_true.dat
@@ -42,9 +42,12 @@
     <batches>5</batches>
     <inactive>1</inactive>
     <source particle="neutron" strength="1.0" type="independent">
-      <space type="fission">
+      <space type="box">
         <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
       </space>
+      <constraints>
+        <fissionable>true</fissionable>
+      </constraints>
     </source>
     <surf_source_write>
       <surface_ids>4 5 6 7 8 9</surface_ids>
diff --git a/tests/regression_tests/surface_source_write/case-04/inputs_true.dat b/tests/regression_tests/surface_source_write/case-04/inputs_true.dat
index 99a5a2899..ac3c03e37 100644
--- a/tests/regression_tests/surface_source_write/case-04/inputs_true.dat
+++ b/tests/regression_tests/surface_source_write/case-04/inputs_true.dat
@@ -42,9 +42,12 @@
     <batches>5</batches>
     <inactive>1</inactive>
     <source particle="neutron" strength="1.0" type="independent">
-      <space type="fission">
+      <space type="box">
         <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
       </space>
+      <constraints>
+        <fissionable>true</fissionable>
+      </constraints>
     </source>
     <surf_source_write>
       <surface_ids>4 5 6 7 8 9</surface_ids>
diff --git a/tests/regression_tests/surface_source_write/case-05/inputs_true.dat b/tests/regression_tests/surface_source_write/case-05/inputs_true.dat
index 49eedb7cf..143e85200 100644
--- a/tests/regression_tests/surface_source_write/case-05/inputs_true.dat
+++ b/tests/regression_tests/surface_source_write/case-05/inputs_true.dat
@@ -42,9 +42,12 @@
     <batches>5</batches>
     <inactive>1</inactive>
     <source particle="neutron" strength="1.0" type="independent">
-      <space type="fission">
+      <space type="box">
         <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
       </space>
+      <constraints>
+        <fissionable>true</fissionable>
+      </constraints>
     </source>
     <surf_source_write>
       <surface_ids>4 5 6 7 8 9</surface_ids>
diff --git a/tests/regression_tests/surface_source_write/case-06/inputs_true.dat b/tests/regression_tests/surface_source_write/case-06/inputs_true.dat
index cdb9726d6..f2dc7ea35 100644
--- a/tests/regression_tests/surface_source_write/case-06/inputs_true.dat
+++ b/tests/regression_tests/surface_source_write/case-06/inputs_true.dat
@@ -42,9 +42,12 @@
     <batches>5</batches>
     <inactive>1</inactive>
     <source particle="neutron" strength="1.0" type="independent">
-      <space type="fission">
+      <space type="box">
         <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
       </space>
+      <constraints>
+        <fissionable>true</fissionable>
+      </constraints>
     </source>
     <surf_source_write>
       <max_particles>300</max_particles>
diff --git a/tests/regression_tests/surface_source_write/case-07/inputs_true.dat b/tests/regression_tests/surface_source_write/case-07/inputs_true.dat
index ff73358ca..a6107d16f 100644
--- a/tests/regression_tests/surface_source_write/case-07/inputs_true.dat
+++ b/tests/regression_tests/surface_source_write/case-07/inputs_true.dat
@@ -42,9 +42,12 @@
     <batches>5</batches>
     <inactive>1</inactive>
     <source particle="neutron" strength="1.0" type="independent">
-      <space type="fission">
+      <space type="box">
         <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
       </space>
+      <constraints>
+        <fissionable>true</fissionable>
+      </constraints>
     </source>
     <surf_source_write>
       <max_particles>300</max_particles>
diff --git a/tests/regression_tests/surface_source_write/case-08/inputs_true.dat b/tests/regression_tests/surface_source_write/case-08/inputs_true.dat
index 8bda9795d..b87e2b207 100644
--- a/tests/regression_tests/surface_source_write/case-08/inputs_true.dat
+++ b/tests/regression_tests/surface_source_write/case-08/inputs_true.dat
@@ -42,9 +42,12 @@
     <batches>5</batches>
     <inactive>1</inactive>
     <source particle="neutron" strength="1.0" type="independent">
-      <space type="fission">
+      <space type="box">
         <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
       </space>
+      <constraints>
+        <fissionable>true</fissionable>
+      </constraints>
     </source>
     <surf_source_write>
       <max_particles>300</max_particles>
diff --git a/tests/regression_tests/surface_source_write/case-09/inputs_true.dat b/tests/regression_tests/surface_source_write/case-09/inputs_true.dat
index 4e893fffa..f4f6ebd87 100644
--- a/tests/regression_tests/surface_source_write/case-09/inputs_true.dat
+++ b/tests/regression_tests/surface_source_write/case-09/inputs_true.dat
@@ -42,9 +42,12 @@
     <batches>5</batches>
     <inactive>1</inactive>
     <source particle="neutron" strength="1.0" type="independent">
-      <space type="fission">
+      <space type="box">
         <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
       </space>
+      <constraints>
+        <fissionable>true</fissionable>
+      </constraints>
     </source>
     <surf_source_write>
       <max_particles>300</max_particles>
diff --git a/tests/regression_tests/surface_source_write/case-10/inputs_true.dat b/tests/regression_tests/surface_source_write/case-10/inputs_true.dat
index 2d8f1ce64..372e5c011 100644
--- a/tests/regression_tests/surface_source_write/case-10/inputs_true.dat
+++ b/tests/regression_tests/surface_source_write/case-10/inputs_true.dat
@@ -42,9 +42,12 @@
     <batches>5</batches>
     <inactive>1</inactive>
     <source particle="neutron" strength="1.0" type="independent">
-      <space type="fission">
+      <space type="box">
         <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
       </space>
+      <constraints>
+        <fissionable>true</fissionable>
+      </constraints>
     </source>
     <surf_source_write>
       <max_particles>300</max_particles>
diff --git a/tests/regression_tests/surface_source_write/case-11/inputs_true.dat b/tests/regression_tests/surface_source_write/case-11/inputs_true.dat
index 307dec547..d5401dc87 100644
--- a/tests/regression_tests/surface_source_write/case-11/inputs_true.dat
+++ b/tests/regression_tests/surface_source_write/case-11/inputs_true.dat
@@ -42,9 +42,12 @@
     <batches>5</batches>
     <inactive>1</inactive>
     <source particle="neutron" strength="1.0" type="independent">
-      <space type="fission">
+      <space type="box">
         <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
       </space>
+      <constraints>
+        <fissionable>true</fissionable>
+      </constraints>
     </source>
     <surf_source_write>
       <max_particles>300</max_particles>
diff --git a/tests/regression_tests/surface_source_write/case-12/inputs_true.dat b/tests/regression_tests/surface_source_write/case-12/inputs_true.dat
index 087024695..cb8f87741 100644
--- a/tests/regression_tests/surface_source_write/case-12/inputs_true.dat
+++ b/tests/regression_tests/surface_source_write/case-12/inputs_true.dat
@@ -35,9 +35,12 @@
     <batches>5</batches>
     <inactive>1</inactive>
     <source particle="neutron" strength="1.0" type="independent">
-      <space type="fission">
+      <space type="box">
         <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
       </space>
+      <constraints>
+        <fissionable>true</fissionable>
+      </constraints>
     </source>
     <surf_source_write>
       <surface_ids>4 5 6 7 8 9</surface_ids>
diff --git a/tests/regression_tests/surface_source_write/case-13/inputs_true.dat b/tests/regression_tests/surface_source_write/case-13/inputs_true.dat
index a3421298b..23bbf0455 100644
--- a/tests/regression_tests/surface_source_write/case-13/inputs_true.dat
+++ b/tests/regression_tests/surface_source_write/case-13/inputs_true.dat
@@ -35,9 +35,12 @@
     <batches>5</batches>
     <inactive>1</inactive>
     <source particle="neutron" strength="1.0" type="independent">
-      <space type="fission">
+      <space type="box">
         <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
       </space>
+      <constraints>
+        <fissionable>true</fissionable>
+      </constraints>
     </source>
     <surf_source_write>
       <surface_ids>4 5 6 7 8 9</surface_ids>
diff --git a/tests/regression_tests/surface_source_write/case-14/inputs_true.dat b/tests/regression_tests/surface_source_write/case-14/inputs_true.dat
index b4c141b5d..29acd94f2 100644
--- a/tests/regression_tests/surface_source_write/case-14/inputs_true.dat
+++ b/tests/regression_tests/surface_source_write/case-14/inputs_true.dat
@@ -35,9 +35,12 @@
     <batches>5</batches>
     <inactive>1</inactive>
     <source particle="neutron" strength="1.0" type="independent">
-      <space type="fission">
+      <space type="box">
         <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
       </space>
+      <constraints>
+        <fissionable>true</fissionable>
+      </constraints>
     </source>
     <surf_source_write>
       <surface_ids>4 5 6 7 8 9</surface_ids>
diff --git a/tests/regression_tests/surface_source_write/case-15/inputs_true.dat b/tests/regression_tests/surface_source_write/case-15/inputs_true.dat
index 9244d839d..c775f2f52 100644
--- a/tests/regression_tests/surface_source_write/case-15/inputs_true.dat
+++ b/tests/regression_tests/surface_source_write/case-15/inputs_true.dat
@@ -35,9 +35,12 @@
     <batches>5</batches>
     <inactive>1</inactive>
     <source particle="neutron" strength="1.0" type="independent">
-      <space type="fission">
+      <space type="box">
         <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
       </space>
+      <constraints>
+        <fissionable>true</fissionable>
+      </constraints>
     </source>
     <surf_source_write>
       <surface_ids>4 5 6 7 8 9</surface_ids>
diff --git a/tests/regression_tests/surface_source_write/case-16/inputs_true.dat b/tests/regression_tests/surface_source_write/case-16/inputs_true.dat
index b3139928a..969a8f31e 100644
--- a/tests/regression_tests/surface_source_write/case-16/inputs_true.dat
+++ b/tests/regression_tests/surface_source_write/case-16/inputs_true.dat
@@ -35,9 +35,12 @@
     <batches>5</batches>
     <inactive>1</inactive>
     <source particle="neutron" strength="1.0" type="independent">
-      <space type="fission">
+      <space type="box">
         <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
       </space>
+      <constraints>
+        <fissionable>true</fissionable>
+      </constraints>
     </source>
     <surf_source_write>
       <surface_ids>4 5 6 7 8 9</surface_ids>
diff --git a/tests/regression_tests/surface_source_write/case-17/inputs_true.dat b/tests/regression_tests/surface_source_write/case-17/inputs_true.dat
index 8fcb01e45..0a65db510 100644
--- a/tests/regression_tests/surface_source_write/case-17/inputs_true.dat
+++ b/tests/regression_tests/surface_source_write/case-17/inputs_true.dat
@@ -35,9 +35,12 @@
     <batches>5</batches>
     <inactive>1</inactive>
     <source particle="neutron" strength="1.0" type="independent">
-      <space type="fission">
+      <space type="box">
         <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
       </space>
+      <constraints>
+        <fissionable>true</fissionable>
+      </constraints>
     </source>
     <surf_source_write>
       <surface_ids>4 5 6 7 8 9</surface_ids>
diff --git a/tests/regression_tests/surface_source_write/case-18/inputs_true.dat b/tests/regression_tests/surface_source_write/case-18/inputs_true.dat
index 80d6253a1..89df27b47 100644
--- a/tests/regression_tests/surface_source_write/case-18/inputs_true.dat
+++ b/tests/regression_tests/surface_source_write/case-18/inputs_true.dat
@@ -35,9 +35,12 @@
     <batches>5</batches>
     <inactive>1</inactive>
     <source particle="neutron" strength="1.0" type="independent">
-      <space type="fission">
+      <space type="box">
         <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
       </space>
+      <constraints>
+        <fissionable>true</fissionable>
+      </constraints>
     </source>
     <surf_source_write>
       <surface_ids>4 5 6 7 8 9</surface_ids>
diff --git a/tests/regression_tests/surface_source_write/case-19/inputs_true.dat b/tests/regression_tests/surface_source_write/case-19/inputs_true.dat
index 5355675fe..3ea7dbffe 100644
--- a/tests/regression_tests/surface_source_write/case-19/inputs_true.dat
+++ b/tests/regression_tests/surface_source_write/case-19/inputs_true.dat
@@ -35,9 +35,12 @@
     <batches>5</batches>
     <inactive>1</inactive>
     <source particle="neutron" strength="1.0" type="independent">
-      <space type="fission">
+      <space type="box">
         <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
       </space>
+      <constraints>
+        <fissionable>true</fissionable>
+      </constraints>
     </source>
     <surf_source_write>
       <surface_ids>4 5 6 7 8 9</surface_ids>
diff --git a/tests/regression_tests/surface_source_write/case-20/inputs_true.dat b/tests/regression_tests/surface_source_write/case-20/inputs_true.dat
index 44f0d72c7..c3c768a3d 100644
--- a/tests/regression_tests/surface_source_write/case-20/inputs_true.dat
+++ b/tests/regression_tests/surface_source_write/case-20/inputs_true.dat
@@ -35,9 +35,12 @@
     <batches>5</batches>
     <inactive>1</inactive>
     <source particle="neutron" strength="1.0" type="independent">
-      <space type="fission">
+      <space type="box">
         <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
       </space>
+      <constraints>
+        <fissionable>true</fissionable>
+      </constraints>
     </source>
     <surf_source_write>
       <surface_ids>4</surface_ids>
diff --git a/tests/regression_tests/surface_source_write/case-21/inputs_true.dat b/tests/regression_tests/surface_source_write/case-21/inputs_true.dat
index 893b8b5b9..5dae8374d 100644
--- a/tests/regression_tests/surface_source_write/case-21/inputs_true.dat
+++ b/tests/regression_tests/surface_source_write/case-21/inputs_true.dat
@@ -35,9 +35,12 @@
     <batches>5</batches>
     <inactive>1</inactive>
     <source particle="neutron" strength="1.0" type="independent">
-      <space type="fission">
+      <space type="box">
         <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
       </space>
+      <constraints>
+        <fissionable>true</fissionable>
+      </constraints>
     </source>
     <surf_source_write>
       <surface_ids>4</surface_ids>
diff --git a/tests/regression_tests/surface_source_write/case-a01/inputs_true.dat b/tests/regression_tests/surface_source_write/case-a01/inputs_true.dat
index a65c9f770..5cec1b76f 100644
--- a/tests/regression_tests/surface_source_write/case-a01/inputs_true.dat
+++ b/tests/regression_tests/surface_source_write/case-a01/inputs_true.dat
@@ -42,9 +42,12 @@
     <batches>5</batches>
     <inactive>1</inactive>
     <source particle="neutron" strength="1.0" type="independent">
-      <space type="fission">
+      <space type="box">
         <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
       </space>
+      <constraints>
+        <fissionable>true</fissionable>
+      </constraints>
     </source>
     <surf_source_write>
       <surface_ids>1 2 3</surface_ids>
diff --git a/tests/regression_tests/surface_source_write/case-d01/inputs_true.dat b/tests/regression_tests/surface_source_write/case-d01/inputs_true.dat
index b6157ba9b..b5452080c 100644
--- a/tests/regression_tests/surface_source_write/case-d01/inputs_true.dat
+++ b/tests/regression_tests/surface_source_write/case-d01/inputs_true.dat
@@ -21,9 +21,12 @@
     <batches>5</batches>
     <inactive>1</inactive>
     <source particle="neutron" strength="1.0" type="independent">
-      <space type="fission">
+      <space type="box">
         <parameters>-4 -4 -20 4 4 20</parameters>
       </space>
+      <constraints>
+        <fissionable>true</fissionable>
+      </constraints>
     </source>
     <surf_source_write>
       <max_particles>300</max_particles>
diff --git a/tests/regression_tests/surface_source_write/case-d02/inputs_true.dat b/tests/regression_tests/surface_source_write/case-d02/inputs_true.dat
index 6877634f1..d6ca4143c 100644
--- a/tests/regression_tests/surface_source_write/case-d02/inputs_true.dat
+++ b/tests/regression_tests/surface_source_write/case-d02/inputs_true.dat
@@ -21,9 +21,12 @@
     <batches>5</batches>
     <inactive>1</inactive>
     <source particle="neutron" strength="1.0" type="independent">
-      <space type="fission">
+      <space type="box">
         <parameters>-4 -4 -20 4 4 20</parameters>
       </space>
+      <constraints>
+        <fissionable>true</fissionable>
+      </constraints>
     </source>
     <surf_source_write>
       <surface_ids>1</surface_ids>
diff --git a/tests/regression_tests/surface_source_write/case-d03/inputs_true.dat b/tests/regression_tests/surface_source_write/case-d03/inputs_true.dat
index ddcde89e4..ba326c978 100644
--- a/tests/regression_tests/surface_source_write/case-d03/inputs_true.dat
+++ b/tests/regression_tests/surface_source_write/case-d03/inputs_true.dat
@@ -21,9 +21,12 @@
     <batches>5</batches>
     <inactive>1</inactive>
     <source particle="neutron" strength="1.0" type="independent">
-      <space type="fission">
+      <space type="box">
         <parameters>-4 -4 -20 4 4 20</parameters>
       </space>
+      <constraints>
+        <fissionable>true</fissionable>
+      </constraints>
     </source>
     <surf_source_write>
       <max_particles>300</max_particles>
diff --git a/tests/regression_tests/surface_source_write/case-d04/inputs_true.dat b/tests/regression_tests/surface_source_write/case-d04/inputs_true.dat
index 7695ecc79..c309dd155 100644
--- a/tests/regression_tests/surface_source_write/case-d04/inputs_true.dat
+++ b/tests/regression_tests/surface_source_write/case-d04/inputs_true.dat
@@ -21,9 +21,12 @@
     <batches>5</batches>
     <inactive>1</inactive>
     <source particle="neutron" strength="1.0" type="independent">
-      <space type="fission">
+      <space type="box">
         <parameters>-4 -4 -20 4 4 20</parameters>
       </space>
+      <constraints>
+        <fissionable>true</fissionable>
+      </constraints>
     </source>
     <surf_source_write>
       <surface_ids>1</surface_ids>
diff --git a/tests/regression_tests/surface_source_write/case-d05/inputs_true.dat b/tests/regression_tests/surface_source_write/case-d05/inputs_true.dat
index 865633fbb..c49703f83 100644
--- a/tests/regression_tests/surface_source_write/case-d05/inputs_true.dat
+++ b/tests/regression_tests/surface_source_write/case-d05/inputs_true.dat
@@ -21,9 +21,12 @@
     <batches>5</batches>
     <inactive>1</inactive>
     <source particle="neutron" strength="1.0" type="independent">
-      <space type="fission">
+      <space type="box">
         <parameters>-4 -4 -20 4 4 20</parameters>
       </space>
+      <constraints>
+        <fissionable>true</fissionable>
+      </constraints>
     </source>
     <surf_source_write>
       <max_particles>300</max_particles>
diff --git a/tests/regression_tests/surface_source_write/case-d06/inputs_true.dat b/tests/regression_tests/surface_source_write/case-d06/inputs_true.dat
index 422670736..48db2c30d 100644
--- a/tests/regression_tests/surface_source_write/case-d06/inputs_true.dat
+++ b/tests/regression_tests/surface_source_write/case-d06/inputs_true.dat
@@ -21,9 +21,12 @@
     <batches>5</batches>
     <inactive>1</inactive>
     <source particle="neutron" strength="1.0" type="independent">
-      <space type="fission">
+      <space type="box">
         <parameters>-4 -4 -20 4 4 20</parameters>
       </space>
+      <constraints>
+        <fissionable>true</fissionable>
+      </constraints>
     </source>
     <surf_source_write>
       <max_particles>300</max_particles>
diff --git a/tests/regression_tests/surface_source_write/case-d07/inputs_true.dat b/tests/regression_tests/surface_source_write/case-d07/inputs_true.dat
index 77498b64d..e2897125b 100644
--- a/tests/regression_tests/surface_source_write/case-d07/inputs_true.dat
+++ b/tests/regression_tests/surface_source_write/case-d07/inputs_true.dat
@@ -35,9 +35,12 @@
     <batches>5</batches>
     <inactive>1</inactive>
     <source particle="neutron" strength="1.0" type="independent">
-      <space type="fission">
+      <space type="box">
         <parameters>-4 -4 -20 4 4 20</parameters>
       </space>
+      <constraints>
+        <fissionable>true</fissionable>
+      </constraints>
     </source>
     <surf_source_write>
       <surface_ids>101 102 103 104 105 106</surface_ids>
diff --git a/tests/regression_tests/surface_source_write/case-d08/inputs_true.dat b/tests/regression_tests/surface_source_write/case-d08/inputs_true.dat
index 561a38337..185b8629b 100644
--- a/tests/regression_tests/surface_source_write/case-d08/inputs_true.dat
+++ b/tests/regression_tests/surface_source_write/case-d08/inputs_true.dat
@@ -35,9 +35,12 @@
     <batches>5</batches>
     <inactive>1</inactive>
     <source particle="neutron" strength="1.0" type="independent">
-      <space type="fission">
+      <space type="box">
         <parameters>-4 -4 -20 4 4 20</parameters>
       </space>
+      <constraints>
+        <fissionable>true</fissionable>
+      </constraints>
     </source>
     <surf_source_write>
       <surface_ids>101 102 103 104 105 106</surface_ids>
diff --git a/tests/regression_tests/surface_source_write/case-e01/inputs_true.dat b/tests/regression_tests/surface_source_write/case-e01/inputs_true.dat
index 99a5a2899..ac3c03e37 100644
--- a/tests/regression_tests/surface_source_write/case-e01/inputs_true.dat
+++ b/tests/regression_tests/surface_source_write/case-e01/inputs_true.dat
@@ -42,9 +42,12 @@
     <batches>5</batches>
     <inactive>1</inactive>
     <source particle="neutron" strength="1.0" type="independent">
-      <space type="fission">
+      <space type="box">
         <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
       </space>
+      <constraints>
+        <fissionable>true</fissionable>
+      </constraints>
     </source>
     <surf_source_write>
       <surface_ids>4 5 6 7 8 9</surface_ids>
diff --git a/tests/regression_tests/surface_source_write/case-e02/inputs_true.dat b/tests/regression_tests/surface_source_write/case-e02/inputs_true.dat
index ff73358ca..a6107d16f 100644
--- a/tests/regression_tests/surface_source_write/case-e02/inputs_true.dat
+++ b/tests/regression_tests/surface_source_write/case-e02/inputs_true.dat
@@ -42,9 +42,12 @@
     <batches>5</batches>
     <inactive>1</inactive>
     <source particle="neutron" strength="1.0" type="independent">
-      <space type="fission">
+      <space type="box">
         <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
       </space>
+      <constraints>
+        <fissionable>true</fissionable>
+      </constraints>
     </source>
     <surf_source_write>
       <max_particles>300</max_particles>
diff --git a/tests/regression_tests/surface_source_write/case-e03/inputs_true.dat b/tests/regression_tests/surface_source_write/case-e03/inputs_true.dat
index a3421298b..23bbf0455 100644
--- a/tests/regression_tests/surface_source_write/case-e03/inputs_true.dat
+++ b/tests/regression_tests/surface_source_write/case-e03/inputs_true.dat
@@ -35,9 +35,12 @@
     <batches>5</batches>
     <inactive>1</inactive>
     <source particle="neutron" strength="1.0" type="independent">
-      <space type="fission">
+      <space type="box">
         <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
       </space>
+      <constraints>
+        <fissionable>true</fissionable>
+      </constraints>
     </source>
     <surf_source_write>
       <surface_ids>4 5 6 7 8 9</surface_ids>
diff --git a/tests/regression_tests/surface_source_write/test.py b/tests/regression_tests/surface_source_write/test.py
index f949d8085..38581736e 100644
--- a/tests/regression_tests/surface_source_write/test.py
+++ b/tests/regression_tests/surface_source_write/test.py
@@ -277,8 +277,9 @@ def model_1():
         core_radius,
         core_height / 2.0,
     ]
-    distribution = openmc.stats.Box(bounds[:3], bounds[3:], only_fissionable=True)
-    model.settings.source = openmc.IndependentSource(space=distribution)
+    distribution = openmc.stats.Box(bounds[:3], bounds[3:])
+    model.settings.source = openmc.IndependentSource(
+        space=distribution, constraints={'fissionable': True})
 
     return model
 
@@ -379,8 +380,9 @@ def model_2():
         core_radius,
         core_height / 2.0,
     ]
-    distribution = openmc.stats.Box(bounds[:3], bounds[3:], only_fissionable=True)
-    model.settings.source = openmc.IndependentSource(space=distribution)
+    distribution = openmc.stats.Box(bounds[:3], bounds[3:])
+    model.settings.source = openmc.IndependentSource(
+        space=distribution, constraints={'fissionable': True})
 
     return model
 
@@ -481,8 +483,9 @@ def model_3():
         core_radius,
         core_height / 2.0,
     ]
-    distribution = openmc.stats.Box(bounds[:3], bounds[3:], only_fissionable=True)
-    model.settings.source = openmc.IndependentSource(space=distribution)
+    distribution = openmc.stats.Box(bounds[:3], bounds[3:])
+    model.settings.source = openmc.IndependentSource(
+        space=distribution, constraints={'fissionable': True})
 
     return model
 
@@ -594,8 +597,9 @@ def model_4():
         core_radius,
         core_height / 2.0,
     ]
-    distribution = openmc.stats.Box(bounds[:3], bounds[3:], only_fissionable=True)
-    model.settings.source = openmc.IndependentSource(space=distribution)
+    distribution = openmc.stats.Box(bounds[:3], bounds[3:])
+    model.settings.source = openmc.IndependentSource(
+        space=distribution, constraints={'fissionable': True})
 
     return model
 
@@ -935,8 +939,9 @@ def model_dagmc_1():
     model.settings.inactive = 1
     model.settings.seed = 1
 
-    source_box = openmc.stats.Box([-4, -4, -20], [4, 4, 20], only_fissionable=True)
-    model.settings.source = openmc.IndependentSource(space=source_box)
+    source_box = openmc.stats.Box([-4, -4, -20], [4, 4, 20])
+    model.settings.source = openmc.IndependentSource(
+        space=source_box, constraints={'fissionable': True})
 
     return model
 
@@ -1069,8 +1074,9 @@ def model_dagmc_2():
     model.settings.inactive = 1
     model.settings.seed = 1
 
-    source_box = openmc.stats.Box([-4, -4, -20], [4, 4, 20], only_fissionable=True)
-    model.settings.source = openmc.IndependentSource(space=source_box)
+    source_box = openmc.stats.Box([-4, -4, -20], [4, 4, 20])
+    model.settings.source = openmc.IndependentSource(
+        space=source_box, constraints={'fissionable': True})
 
     return model
 
diff --git a/tests/unit_tests/test_tracks.py b/tests/unit_tests/test_tracks.py
index 3951a72c6..fa8664159 100644
--- a/tests/unit_tests/test_tracks.py
+++ b/tests/unit_tests/test_tracks.py
@@ -168,7 +168,7 @@ def test_restart_track(run_in_tmpdir, sphere_model):
 
     # generate lost particle files
     with pytest.raises(RuntimeError, match='Maximum number of lost particles has been reached.'):
-        sphere_model.run(output=False)
+        sphere_model.run(output=False, threads=1)
 
     lost_particle_files = list(Path.cwd().glob('particle_*.h5'))
     assert len(lost_particle_files) > 0

From 8ce81d132ade670b66483887955fc1182358273a Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Mon, 24 Jun 2024 11:29:51 -0500
Subject: [PATCH 2119/2654] Change version number to 0.15.1-dev (#3058)

---
 CMakeLists.txt              | 2 +-
 docs/source/conf.py         | 2 +-
 include/openmc/version.h.in | 2 +-
 openmc/__init__.py          | 2 +-
 4 files changed, 4 insertions(+), 4 deletions(-)

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 8a000c9b9..3cbeaa024 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -4,7 +4,7 @@ project(openmc C CXX)
 # Set version numbers
 set(OPENMC_VERSION_MAJOR 0)
 set(OPENMC_VERSION_MINOR 15)
-set(OPENMC_VERSION_RELEASE 0)
+set(OPENMC_VERSION_RELEASE 1)
 set(OPENMC_VERSION ${OPENMC_VERSION_MAJOR}.${OPENMC_VERSION_MINOR}.${OPENMC_VERSION_RELEASE})
 configure_file(include/openmc/version.h.in "${CMAKE_BINARY_DIR}/include/openmc/version.h" @ONLY)
 
diff --git a/docs/source/conf.py b/docs/source/conf.py
index 19c04d98a..726269f0b 100644
--- a/docs/source/conf.py
+++ b/docs/source/conf.py
@@ -71,7 +71,7 @@ copyright = '2011-2024, Massachusetts Institute of Technology, UChicago Argonne
 # The short X.Y version.
 version = "0.15"
 # The full version, including alpha/beta/rc tags.
-release = "0.15.0"
+release = "0.15.1-dev"
 
 # The language for content autogenerated by Sphinx. Refer to documentation
 # for a list of supported languages.
diff --git a/include/openmc/version.h.in b/include/openmc/version.h.in
index a518e0d63..e1c2b0541 100644
--- a/include/openmc/version.h.in
+++ b/include/openmc/version.h.in
@@ -10,7 +10,7 @@ namespace openmc {
 constexpr int VERSION_MAJOR {@OPENMC_VERSION_MAJOR@};
 constexpr int VERSION_MINOR {@OPENMC_VERSION_MINOR@};
 constexpr int VERSION_RELEASE {@OPENMC_VERSION_RELEASE@};
-constexpr bool VERSION_DEV {false};
+constexpr bool VERSION_DEV {true};
 constexpr std::array<int, 3> VERSION {VERSION_MAJOR, VERSION_MINOR, VERSION_RELEASE};
 // clang-format on
 
diff --git a/openmc/__init__.py b/openmc/__init__.py
index 12a3c87d3..d18e1188e 100644
--- a/openmc/__init__.py
+++ b/openmc/__init__.py
@@ -39,4 +39,4 @@ from .config import *
 from openmc.model import Model
 
 
-__version__ = '0.15.0'
+__version__ = '0.15.1-dev'

From a8171cbd4e9a1ee801a52f6f0c1426982b73774f Mon Sep 17 00:00:00 2001
From: Ethan Krammer <68677905+ethankrammer@users.noreply.github.com>
Date: Thu, 27 Jun 2024 09:22:10 -0500
Subject: [PATCH 2120/2654] Implementation of Shannon Entropy for Random Ray
 (#3030)

Co-authored-by: Ethan Krammer <ethan@DESKTOP-MGFGK9N>
Co-authored-by: John Tramm <john.tramm@gmail.com>
---
 docs/source/methods/eigenvalue.rst            |  17 +++-
 docs/source/methods/random_ray.rst            |  36 +++++++
 docs/source/usersguide/random_ray.rst         |  11 +++
 src/eigenvalue.cpp                            |   2 +-
 src/random_ray/flat_source_domain.cpp         |  38 +++++++-
 src/settings.cpp                              |  47 ++++++----
 src/simulation.cpp                            |   3 +-
 .../random_ray_entropy/__init__.py            |   0
 .../random_ray_entropy/geometry.xml           |  88 ++++++++++++++++++
 .../random_ray_entropy/materials.xml          |   8 ++
 .../random_ray_entropy/mgxs.h5                | Bin 0 -> 10664 bytes
 .../random_ray_entropy/results_true.dat       |  13 +++
 .../random_ray_entropy/settings.xml           |  17 ++++
 .../random_ray_entropy/test.py                |  33 +++++++
 14 files changed, 283 insertions(+), 30 deletions(-)
 create mode 100644 tests/regression_tests/random_ray_entropy/__init__.py
 create mode 100644 tests/regression_tests/random_ray_entropy/geometry.xml
 create mode 100644 tests/regression_tests/random_ray_entropy/materials.xml
 create mode 100644 tests/regression_tests/random_ray_entropy/mgxs.h5
 create mode 100644 tests/regression_tests/random_ray_entropy/results_true.dat
 create mode 100644 tests/regression_tests/random_ray_entropy/settings.xml
 create mode 100644 tests/regression_tests/random_ray_entropy/test.py

diff --git a/docs/source/methods/eigenvalue.rst b/docs/source/methods/eigenvalue.rst
index b63723c02..8abcc0957 100644
--- a/docs/source/methods/eigenvalue.rst
+++ b/docs/source/methods/eigenvalue.rst
@@ -55,15 +55,17 @@ in :ref:`fission-bank-algorithms`.
 Source Convergence Issues
 -------------------------
 
+.. _methods-shannon-entropy:
+
 Diagnosing Convergence with Shannon Entropy
 -------------------------------------------
 
 As discussed earlier, it is necessary to converge both :math:`k_{eff}` and the
 source distribution before any tallies can begin. Moreover, the convergence rate
-of the source distribution is in general slower than that of
-:math:`k_{eff}`. One should thus examine not only the convergence of
-:math:`k_{eff}` but also the convergence of the source distribution in order to
-make decisions on when to start active batches.
+of the source distribution is in general slower than that of :math:`k_{eff}`.
+One should thus examine not only the convergence of :math:`k_{eff}` but also the
+convergence of the source distribution in order to make decisions on when to
+start active batches.
 
 However, the representation of the source distribution makes it a bit more
 difficult to analyze its convergence. Since :math:`k_{eff}` is a scalar
@@ -108,6 +110,13 @@ at plots of :math:`k_{eff}` and the Shannon entropy. A number of methods have
 been proposed (see e.g. [Romano]_, [Ueki]_), but each of these is not without
 problems.
 
+Shannon entropy is calculated differently for the random ray solver, as
+described :ref:`in the random ray theory section
+<methods-shannon-entropy-random-ray>`. Additionally, as the Shannon entropy only
+serves as a diagnostic tool for convergence of the fission source distribution,
+there is currently no diagnostic to determine if the scattering source
+distribution in random ray is converged.
+
 ---------------------------
 Uniform Fission Site Method
 ---------------------------
diff --git a/docs/source/methods/random_ray.rst b/docs/source/methods/random_ray.rst
index 427ba1148..d46d3ad41 100644
--- a/docs/source/methods/random_ray.rst
+++ b/docs/source/methods/random_ray.rst
@@ -411,6 +411,8 @@ which when partially simplified becomes:
 
 Note that there are now four (seemingly identical) volume terms in this equation.
 
+.. _methods-volume-dilemma:
+
 ~~~~~~~~~~~~~~
 Volume Dilemma
 ~~~~~~~~~~~~~~
@@ -745,6 +747,7 @@ How are Tallies Handled?
 Most tallies, filters, and scores that you would expect to work with a
 multigroup solver like random ray should work. For example, you can define 3D
 mesh tallies with energy filters and flux, fission, and nu-fission scores, etc.
+
 There are some restrictions though. For starters, it is assumed that all filter
 mesh boundaries will conform to physical surface boundaries (or lattice
 boundaries) in the simulation geometry. It is acceptable for multiple cells
@@ -754,6 +757,39 @@ behavior if a single simulation cell is able to score to multiple filter mesh
 cells. In the future, the capability to fully support mesh tallies may be added
 to OpenMC, but for now this restriction needs to be respected.
 
+.. _methods-shannon-entropy-random-ray:
+
+-----------------------------
+Shannon Entropy in Random Ray
+-----------------------------
+
+As :math:`k_{eff}` is updated at each generation, the fission source at each FSR
+is used to compute the Shannon entropy. This follows the :ref:`same procedure
+for computing Shannon entropy in continuous-energy or multigroup Monte Carlo
+simulations <methods-shannon-entropy>`, except that fission sources at FSRs are
+considered, rather than fission sites of user-defined regular meshes. Thus, the
+volume-weighted fission rate is considered instead, and the fraction of fission
+sources is adjusted such that:
+
+.. math::
+    :label: fraction-source-random-ray
+
+    S_i = \frac{\text{Fission source in FSR $i \times$ Volume of FSR
+    $i$}}{\text{Total fission source}} = \frac{Q_{i} V_{i}}{\sum_{i=1}^{i=N} 
+    Q_{i} V_{i}}
+
+The Shannon entropy is then computed normally as
+
+.. math::
+    :label: shannon-entropy-random-ray
+
+    H = - \sum_{i=1}^N S_i \log_2 S_i
+
+where :math:`N` is the number of FSRs. FSRs with no fission source (or,
+occassionally, negative fission source, :ref:`due to the volume estimator
+problem <methods-volume-dilemma>`) are skipped to avoid taking an undefined
+logarithm in :eq:`shannon-entropy-random-ray`.
+
 .. _usersguide_fixed_source_methods:
 
 ------------
diff --git a/docs/source/usersguide/random_ray.rst b/docs/source/usersguide/random_ray.rst
index 61f074650..2a038b122 100644
--- a/docs/source/usersguide/random_ray.rst
+++ b/docs/source/usersguide/random_ray.rst
@@ -62,6 +62,17 @@ solver::
     settings.batches = 1200
     settings.inactive = 600
 
+---------------
+Shannon Entropy
+---------------
+
+Similar to Monte Carlo, :ref:`Shannon entropy
+<methods-shannon-entropy-random-ray>` can be used to gauge whether the fission
+source has fully developed. The Shannon entropy is calculated automatically
+after each batch and is printed to the statepoint file. Unlike Monte Carlo, an
+entropy mesh does not need to be defined, as the Shannon entropy is calculated
+over FSRs using a volume-weighted approach.
+
 -------------------------------
 Inactive Ray Length (Dead Zone)
 -------------------------------
diff --git a/src/eigenvalue.cpp b/src/eigenvalue.cpp
index d5410094b..8669d76f9 100644
--- a/src/eigenvalue.cpp
+++ b/src/eigenvalue.cpp
@@ -556,7 +556,7 @@ void shannon_entropy()
     double H = 0.0;
     for (auto p_i : p) {
       if (p_i > 0.0) {
-        H -= p_i * std::log(p_i) / std::log(2.0);
+        H -= p_i * std::log2(p_i);
       }
     }
 
diff --git a/src/random_ray/flat_source_domain.cpp b/src/random_ray/flat_source_domain.cpp
index 7f5d76943..792e97da0 100644
--- a/src/random_ray/flat_source_domain.cpp
+++ b/src/random_ray/flat_source_domain.cpp
@@ -1,6 +1,7 @@
 #include "openmc/random_ray/flat_source_domain.h"
 
 #include "openmc/cell.h"
+#include "openmc/eigenvalue.h"
 #include "openmc/geometry.h"
 #include "openmc/material.h"
 #include "openmc/message_passing.h"
@@ -278,6 +279,9 @@ double FlatSourceDomain::compute_k_eff(double k_eff_old) const
   const int t = 0;
   const int a = 0;
 
+  // Vector for gathering fission source terms for Shannon entropy calculation
+  vector<float> p(n_source_regions_, 0.0f);
+
 #pragma omp parallel for reduction(+ : fission_rate_old, fission_rate_new)
   for (int sr = 0; sr < n_source_regions_; sr++) {
 
@@ -300,12 +304,38 @@ double FlatSourceDomain::compute_k_eff(double k_eff_old) const
       sr_fission_source_new += nu_sigma_f * scalar_flux_new_[idx];
     }
 
-    fission_rate_old += sr_fission_source_old * volume;
-    fission_rate_new += sr_fission_source_new * volume;
+    // Compute total fission rates in FSR
+    sr_fission_source_old *= volume;
+    sr_fission_source_new *= volume;
+
+    // Accumulate totals
+    fission_rate_old += sr_fission_source_old;
+    fission_rate_new += sr_fission_source_new;
+
+    // Store total fission rate in the FSR for Shannon calculation
+    p[sr] = sr_fission_source_new;
   }
 
   double k_eff_new = k_eff_old * (fission_rate_new / fission_rate_old);
 
+  double H = 0.0;
+  // defining an inverse sum for better performance
+  double inverse_sum = 1 / fission_rate_new;
+
+#pragma omp parallel for reduction(+ : H)
+  for (int sr = 0; sr < n_source_regions_; sr++) {
+    // Only if FSR has non-negative and non-zero fission source
+    if (p[sr] > 0.0f) {
+      // Normalize to total weight of bank sites. p_i for better performance
+      float p_i = p[sr] * inverse_sum;
+      // Sum values to obtain Shannon entropy.
+      H -= p_i * std::log2(p_i);
+    }
+  }
+
+  // Adds entropy value to shared entropy vector in openmc namespace.
+  simulation::entropy.push_back(H);
+
   return k_eff_new;
 }
 
@@ -525,8 +555,8 @@ void FlatSourceDomain::random_ray_tally()
 #pragma omp atomic
         tally.results_(task.filter_idx, task.score_idx, TallyResult::VALUE) +=
           score;
-      } // end tally task loop
-    }   // end energy group loop
+      }
+    }
 
     // For flux tallies, the total volume of the spatial region is needed
     // for normalizing the flux. We store this volume in a separate tensor.
diff --git a/src/settings.cpp b/src/settings.cpp
index 6c3226b04..4ffa50cdf 100644
--- a/src/settings.cpp
+++ b/src/settings.cpp
@@ -627,30 +627,37 @@ void read_settings_xml(pugi::xml_node root)
     }
   }
 
-  // Shannon Entropy mesh
-  if (check_for_node(root, "entropy_mesh")) {
-    int temp = std::stoi(get_node_value(root, "entropy_mesh"));
-    if (model::mesh_map.find(temp) == model::mesh_map.end()) {
-      fatal_error(fmt::format(
-        "Mesh {} specified for Shannon entropy does not exist.", temp));
+  // Shannon entropy
+  if (solver_type == SolverType::RANDOM_RAY) {
+    if (check_for_node(root, "entropy_mesh")) {
+      fatal_error("Random ray uses FSRs to compute the Shannon entropy. "
+                  "No user-defined entropy mesh is supported.");
     }
-
-    auto* m =
-      dynamic_cast<RegularMesh*>(model::meshes[model::mesh_map.at(temp)].get());
-    if (!m)
-      fatal_error("Only regular meshes can be used as an entropy mesh");
-    simulation::entropy_mesh = m;
-
-    // Turn on Shannon entropy calculation
     entropy_on = true;
+  } else if (solver_type == SolverType::MONTE_CARLO) {
+    if (check_for_node(root, "entropy_mesh")) {
+      int temp = std::stoi(get_node_value(root, "entropy_mesh"));
+      if (model::mesh_map.find(temp) == model::mesh_map.end()) {
+        fatal_error(fmt::format(
+          "Mesh {} specified for Shannon entropy does not exist.", temp));
+      }
 
-  } else if (check_for_node(root, "entropy")) {
-    fatal_error(
-      "Specifying a Shannon entropy mesh via the <entropy> element "
-      "is deprecated. Please create a mesh using <mesh> and then reference "
-      "it by specifying its ID in an <entropy_mesh> element.");
+      auto* m = dynamic_cast<RegularMesh*>(
+        model::meshes[model::mesh_map.at(temp)].get());
+      if (!m)
+        fatal_error("Only regular meshes can be used as an entropy mesh");
+      simulation::entropy_mesh = m;
+
+      // Turn on Shannon entropy calculation
+      entropy_on = true;
+
+    } else if (check_for_node(root, "entropy")) {
+      fatal_error(
+        "Specifying a Shannon entropy mesh via the <entropy> element "
+        "is deprecated. Please create a mesh using <mesh> and then reference "
+        "it by specifying its ID in an <entropy_mesh> element.");
+    }
   }
-
   // Uniform fission source weighting mesh
   if (check_for_node(root, "ufs_mesh")) {
     auto temp = std::stoi(get_node_value(root, "ufs_mesh"));
diff --git a/src/simulation.cpp b/src/simulation.cpp
index 2d5d75aa4..be03e4855 100644
--- a/src/simulation.cpp
+++ b/src/simulation.cpp
@@ -531,7 +531,8 @@ void finalize_generation()
   if (settings::run_mode == RunMode::EIGENVALUE) {
 
     // Calculate shannon entropy
-    if (settings::entropy_on)
+    if (settings::entropy_on &&
+        settings::solver_type == SolverType::MONTE_CARLO)
       shannon_entropy();
 
     // Collect results and statistics
diff --git a/tests/regression_tests/random_ray_entropy/__init__.py b/tests/regression_tests/random_ray_entropy/__init__.py
new file mode 100644
index 000000000..e69de29bb
diff --git a/tests/regression_tests/random_ray_entropy/geometry.xml b/tests/regression_tests/random_ray_entropy/geometry.xml
new file mode 100644
index 000000000..4c87bbbfb
--- /dev/null
+++ b/tests/regression_tests/random_ray_entropy/geometry.xml
@@ -0,0 +1,88 @@
+<?xml version='1.0' encoding='UTF-8'?>
+<geometry>
+  <cell id="1" material="1" universe="1"/>
+  <cell fill="2" id="2" name="assembly" region="-2 1 -4 3 -6 5" universe="3"/>
+  <lattice id="2">
+    <pitch>12.5 12.5 12.5</pitch>
+    <dimension>8 8 8</dimension>
+    <lower_left>0.0 0.0 0.0</lower_left>
+    <universes>
+1 1 1 1 1 1 1 1 
+1 1 1 1 1 1 1 1 
+1 1 1 1 1 1 1 1 
+1 1 1 1 1 1 1 1 
+1 1 1 1 1 1 1 1 
+1 1 1 1 1 1 1 1 
+1 1 1 1 1 1 1 1 
+1 1 1 1 1 1 1 1 
+
+1 1 1 1 1 1 1 1 
+1 1 1 1 1 1 1 1 
+1 1 1 1 1 1 1 1 
+1 1 1 1 1 1 1 1 
+1 1 1 1 1 1 1 1 
+1 1 1 1 1 1 1 1 
+1 1 1 1 1 1 1 1 
+1 1 1 1 1 1 1 1 
+
+1 1 1 1 1 1 1 1 
+1 1 1 1 1 1 1 1 
+1 1 1 1 1 1 1 1 
+1 1 1 1 1 1 1 1 
+1 1 1 1 1 1 1 1 
+1 1 1 1 1 1 1 1 
+1 1 1 1 1 1 1 1 
+1 1 1 1 1 1 1 1 
+
+1 1 1 1 1 1 1 1 
+1 1 1 1 1 1 1 1 
+1 1 1 1 1 1 1 1 
+1 1 1 1 1 1 1 1 
+1 1 1 1 1 1 1 1 
+1 1 1 1 1 1 1 1 
+1 1 1 1 1 1 1 1 
+1 1 1 1 1 1 1 1 
+
+1 1 1 1 1 1 1 1 
+1 1 1 1 1 1 1 1 
+1 1 1 1 1 1 1 1 
+1 1 1 1 1 1 1 1 
+1 1 1 1 1 1 1 1 
+1 1 1 1 1 1 1 1 
+1 1 1 1 1 1 1 1 
+1 1 1 1 1 1 1 1 
+
+1 1 1 1 1 1 1 1 
+1 1 1 1 1 1 1 1 
+1 1 1 1 1 1 1 1 
+1 1 1 1 1 1 1 1 
+1 1 1 1 1 1 1 1 
+1 1 1 1 1 1 1 1 
+1 1 1 1 1 1 1 1 
+1 1 1 1 1 1 1 1 
+
+1 1 1 1 1 1 1 1 
+1 1 1 1 1 1 1 1 
+1 1 1 1 1 1 1 1 
+1 1 1 1 1 1 1 1 
+1 1 1 1 1 1 1 1 
+1 1 1 1 1 1 1 1 
+1 1 1 1 1 1 1 1 
+1 1 1 1 1 1 1 1 
+
+1 1 1 1 1 1 1 1 
+1 1 1 1 1 1 1 1 
+1 1 1 1 1 1 1 1 
+1 1 1 1 1 1 1 1 
+1 1 1 1 1 1 1 1 
+1 1 1 1 1 1 1 1 
+1 1 1 1 1 1 1 1 
+1 1 1 1 1 1 1 1 </universes>
+  </lattice>
+  <surface boundary="reflective" coeffs="0.0" id="1" type="x-plane"/>
+  <surface boundary="reflective" coeffs="100.0" id="2" type="x-plane"/>
+  <surface boundary="reflective" coeffs="0.0" id="3" type="y-plane"/>
+  <surface boundary="reflective" coeffs="100.0" id="4" type="y-plane"/>
+  <surface boundary="reflective" coeffs="0.0" id="5" type="z-plane"/>
+  <surface boundary="reflective" coeffs="100.0" id="6" type="z-plane"/>
+</geometry>
diff --git a/tests/regression_tests/random_ray_entropy/materials.xml b/tests/regression_tests/random_ray_entropy/materials.xml
new file mode 100644
index 000000000..5a6f93414
--- /dev/null
+++ b/tests/regression_tests/random_ray_entropy/materials.xml
@@ -0,0 +1,8 @@
+<?xml version='1.0' encoding='utf-8'?>
+<materials>
+  <cross_sections>mgxs.h5</cross_sections>
+  <material id="1" name="Core Material">
+    <density units="macro" value="1.0"/>
+    <macroscopic name="CoreMaterial"/>
+  </material>
+</materials>
diff --git a/tests/regression_tests/random_ray_entropy/mgxs.h5 b/tests/regression_tests/random_ray_entropy/mgxs.h5
new file mode 100644
index 0000000000000000000000000000000000000000..6ce80bf713a8d5ff29700ba59e982e18f99b5403
GIT binary patch
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diff --git a/tests/regression_tests/random_ray_entropy/results_true.dat b/tests/regression_tests/random_ray_entropy/results_true.dat
new file mode 100644
index 000000000..254254538
--- /dev/null
+++ b/tests/regression_tests/random_ray_entropy/results_true.dat
@@ -0,0 +1,13 @@
+k-combined:
+1.000000E+00 0.000000E+00
+entropy:
+8.863421E+00
+8.933584E+00
+8.960553E+00
+8.967921E+00
+8.976016E+00
+8.981856E+00
+8.983670E+00
+8.986584E+00
+8.987732E+00
+8.988186E+00
diff --git a/tests/regression_tests/random_ray_entropy/settings.xml b/tests/regression_tests/random_ray_entropy/settings.xml
new file mode 100644
index 000000000..81deaa775
--- /dev/null
+++ b/tests/regression_tests/random_ray_entropy/settings.xml
@@ -0,0 +1,17 @@
+<?xml version='1.0' encoding='UTF-8'?>
+<settings>
+  <run_mode>eigenvalue</run_mode>
+  <particles>100</particles>
+  <batches>10</batches>
+  <inactive>5</inactive>
+  <energy_mode>multi-group</energy_mode>
+  <random_ray>
+    <source particle="neutron" strength="1.0" type="independent">
+      <space type="box">
+        <parameters>0.0 0.0 0.0 100.0 100.0 100.0</parameters>
+      </space>
+    </source>
+    <distance_inactive>40.0</distance_inactive>
+    <distance_active>400.0</distance_active>
+  </random_ray>
+</settings>
diff --git a/tests/regression_tests/random_ray_entropy/test.py b/tests/regression_tests/random_ray_entropy/test.py
new file mode 100644
index 000000000..a3cba65ad
--- /dev/null
+++ b/tests/regression_tests/random_ray_entropy/test.py
@@ -0,0 +1,33 @@
+import glob
+import os
+
+from openmc import StatePoint
+
+from tests.testing_harness import TestHarness
+
+
+class EntropyTestHarness(TestHarness):
+    def _get_results(self):
+        """Digest info in the statepoint and return as a string."""
+        # Read the statepoint file.
+        statepoint = glob.glob(os.path.join(os.getcwd(), self._sp_name))[0]
+        with StatePoint(statepoint) as sp:
+            # Write out k-combined.
+            outstr = 'k-combined:\n'
+            outstr += '{:12.6E} {:12.6E}\n'.format(sp.keff.n, sp.keff.s)
+
+            # Write out entropy data.
+            outstr += 'entropy:\n'
+            results = ['{:12.6E}'.format(x) for x in sp.entropy]
+            outstr += '\n'.join(results) + '\n'
+
+        return outstr
+
+'''
+# This test is adapted from "Monte Carlo power iteration: Entropy and spatial correlations,"
+M. Nowak et al. The cross sections are defined explicitly so that the value for entropy 
+is exactly 9 and the eigenvalue is exactly 1.
+'''
+def test_entropy():
+    harness = EntropyTestHarness('statepoint.10.h5')
+    harness.main()

From ac0ad0bac2aaae0b71f625248b56933bc1138699 Mon Sep 17 00:00:00 2001
From: Olek <45364492+yardasol@users.noreply.github.com>
Date: Fri, 28 Jun 2024 10:18:17 -0400
Subject: [PATCH 2121/2654] Fix hyperlinks in `random_ray.rst` (#3064)

---
 docs/source/methods/random_ray.rst | 8 ++++----
 1 file changed, 4 insertions(+), 4 deletions(-)

diff --git a/docs/source/methods/random_ray.rst b/docs/source/methods/random_ray.rst
index d46d3ad41..7a29a1875 100644
--- a/docs/source/methods/random_ray.rst
+++ b/docs/source/methods/random_ray.rst
@@ -10,7 +10,7 @@ Random Ray
 What is Random Ray?
 -------------------
 
-`Random ray <Tramm-2017a>`_ is a stochastic transport method, closely related to
+`Random ray <Tramm-2017a_>`_ is a stochastic transport method, closely related to
 the deterministic Method of Characteristics (MOC) [Askew-1972]_. Rather than
 each ray representing a single neutron as in Monte Carlo, it represents a
 characteristic line through the simulation geometry upon which the transport
@@ -82,7 +82,7 @@ Random Ray Numerical Derivation
 
 In this section, we will derive the numerical basis for the random ray solver
 mode in OpenMC. The derivation of random ray is also discussed in several papers
-(`1 <Tramm-2017a>`_, `2 <Tramm-2017b>`_, `3 <Tramm-2018>`_), and some of those
+(`1 <Tramm-2017a_>`_, `2 <Tramm-2017b_>`_, `3 <Tramm-2018_>`_), and some of those
 derivations are reproduced here verbatim. Several extensions are also made to
 add clarity, particularly on the topic of OpenMC's treatment of cell volumes in
 the random ray solver.
@@ -428,7 +428,7 @@ of terms. Mathematically, such cancellation allows us to arrive at the following
 
 This derivation appears mathematically sound at first glance but unfortunately
 raises a serious issue as discussed in more depth by `Tramm et al.
-<Tramm-2020>`_ and `Cosgrove and Tramm <Cosgrove-2023>`_. Namely, the second
+<Tramm-2020_>`_ and `Cosgrove and Tramm <Cosgrove-2023_>`_. Namely, the second
 term:
 
 .. math::
@@ -607,7 +607,7 @@ guess can be made by taking the isotropic source from the FSR the ray was
 sampled in, direct usage of this quantity would result in significant bias and
 error being imparted on the simulation.
 
-Thus, an `on-the-fly approximation method <Tramm-2017a>`_ was developed (known
+Thus, an `on-the-fly approximation method <Tramm-2017a_>`_ was developed (known
 as the "dead zone"), where the first several mean free paths of a ray are
 considered to be "inactive" or "read only". In this sense, the angular flux is
 solved for using the MOC equation, but the ray does not "tally" any scalar flux

From 391450ce01c4222c4a24466d749ec1dc5ac61b19 Mon Sep 17 00:00:00 2001
From: John Tramm <john.tramm@gmail.com>
Date: Fri, 28 Jun 2024 11:41:20 -0500
Subject: [PATCH 2122/2654] Random Ray Normalization Improvements (#3051)

Co-authored-by: Olek <45364492+yardasol@users.noreply.github.com>
---
 docs/source/methods/random_ray.rst            |   14 +
 docs/source/usersguide/random_ray.rst         |   21 +
 .../openmc/random_ray/flat_source_domain.h    |    5 +
 openmc/settings.py                            |   12 +
 src/random_ray/flat_source_domain.cpp         |  123 +-
 src/settings.cpp                              |    4 +
 .../random_ray_basic/inputs_true.dat          |    1 +
 .../regression_tests/random_ray_basic/test.py |    1 +
 .../False_hybrid/inputs_true.dat              | 1018 +++++++++++++++++
 .../False_hybrid/results_true.dat             |    9 +
 .../True_hybrid/inputs_true.dat               | 1018 +++++++++++++++++
 .../True_hybrid/results_true.dat              |    9 +
 .../random_ray_cube/__init__.py               |    0
 .../regression_tests/random_ray_cube/test.py  |  231 ++++
 .../cell/inputs_true.dat                      |    1 +
 .../cell/results_true.dat                     |   86 +-
 .../material/inputs_true.dat                  |    1 +
 .../material/results_true.dat                 |   84 +-
 .../random_ray_fixed_source/test.py           |    1 +
 .../universe/inputs_true.dat                  |    1 +
 .../universe/results_true.dat                 |   84 +-
 .../random_ray_vacuum/inputs_true.dat         |    1 +
 .../random_ray_vacuum/test.py                 |    1 +
 23 files changed, 2572 insertions(+), 154 deletions(-)
 create mode 100644 tests/regression_tests/random_ray_cube/False_hybrid/inputs_true.dat
 create mode 100644 tests/regression_tests/random_ray_cube/False_hybrid/results_true.dat
 create mode 100644 tests/regression_tests/random_ray_cube/True_hybrid/inputs_true.dat
 create mode 100644 tests/regression_tests/random_ray_cube/True_hybrid/results_true.dat
 create mode 100644 tests/regression_tests/random_ray_cube/__init__.py
 create mode 100644 tests/regression_tests/random_ray_cube/test.py

diff --git a/docs/source/methods/random_ray.rst b/docs/source/methods/random_ray.rst
index 7a29a1875..45af2b0c8 100644
--- a/docs/source/methods/random_ray.rst
+++ b/docs/source/methods/random_ray.rst
@@ -740,6 +740,8 @@ scalar flux value for the FSR).
         global::volume[fsr] += s;
     }
 
+.. _methods_random_tallies:
+
 ------------------------
 How are Tallies Handled?
 ------------------------
@@ -757,6 +759,18 @@ behavior if a single simulation cell is able to score to multiple filter mesh
 cells. In the future, the capability to fully support mesh tallies may be added
 to OpenMC, but for now this restriction needs to be respected.
 
+Flux tallies are handled slightly differently than in Monte Carlo. By default,
+in MC, flux tallies are reported in units of tracklength (cm), so must be
+manually normalized by volume by the user to produce an estimate of flux in
+units of cm\ :sup:`-2`\. Alternatively, MC flux tallies can be normalized via a
+separated volume calculation process as discussed in the :ref:`Volume
+Calculation Section<usersguide_volume>`. In random ray, as the volumes are
+computed on-the-fly as part of the transport process, the flux tallies can
+easily be reported either in units of flux (cm\ :sup:`-2`\) or tracklength (cm).
+By default, the unnormalized flux values (units of cm) will be reported. If the
+user wishes to received volume normalized flux tallies, then an option for this
+is available, as described in the :ref:`User Guide<usersguide_flux_norm>`.
+
 .. _methods-shannon-entropy-random-ray:
 
 -----------------------------
diff --git a/docs/source/usersguide/random_ray.rst b/docs/source/usersguide/random_ray.rst
index 2a038b122..6df132859 100644
--- a/docs/source/usersguide/random_ray.rst
+++ b/docs/source/usersguide/random_ray.rst
@@ -330,6 +330,8 @@ of a two-dimensional 2x2 reflective pincell lattice:
 
 In the future, automated subdivision of FSRs via mesh overlay may be supported.
 
+.. _usersguide_flux_norm:
+
 -------
 Tallies
 -------
@@ -367,6 +369,25 @@ Note that there is no difference between the analog, tracklength, and collision
 estimators in random ray mode as individual particles are not being simulated.
 Tracklength-style tally estimation is inherent to the random ray method.
 
+As discussed in the random ray theory section on :ref:`Random Ray
+Tallies<methods_random_tallies>`, by default flux tallies in the random ray mode
+are not normalized by the spatial tally volumes such that flux tallies are in
+units of cm. While the volume information is readily available as a byproduct of
+random ray integration, the flux value is reported in unnormalized units of cm
+so that the user will be able to compare "apples to apples" with the default
+flux tallies from the Monte Carlo solver (also reported by default in units of
+cm). If volume normalized flux tallies (in units of cm\ :sup:`-2`) are desired,
+then the user can set the ``volume_normalized_flux_tallies`` field in the
+:attr:`openmc.Settings.random_ray` dictionary to ``True``. An example is given
+below:
+
+::
+
+    settings.random_ray['volume_normalized_flux_tallies'] = True
+
+Note that MC mode flux tallies can also be normalized by volume, as discussed in
+the :ref:`Volume Calculation Section<usersguide_volume>` of the user guide.
+
 --------
 Plotting
 --------
diff --git a/include/openmc/random_ray/flat_source_domain.h b/include/openmc/random_ray/flat_source_domain.h
index badbb25fc..519384040 100644
--- a/include/openmc/random_ray/flat_source_domain.h
+++ b/include/openmc/random_ray/flat_source_domain.h
@@ -108,6 +108,11 @@ public:
   void all_reduce_replicated_source_regions();
   void convert_external_sources();
   void count_external_source_regions();
+  double compute_fixed_source_normalization_factor() const;
+
+  //----------------------------------------------------------------------------
+  // Static Data members
+  static bool volume_normalized_flux_tallies_;
 
   //----------------------------------------------------------------------------
   // Public Data members
diff --git a/openmc/settings.py b/openmc/settings.py
index fae6f6383..b048c3a8b 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -157,6 +157,12 @@ class Settings:
         :ray_source:
             Starting ray distribution (must be uniform in space and angle) as
             specified by a :class:`openmc.SourceBase` object.
+        :volume_normalized_flux_tallies:
+            Whether to normalize flux tallies by volume (bool). The default
+            is 'False'. When enabled, flux tallies will be reported in units of
+            cm/cm^3. When disabled, flux tallies will be reported in units
+            of cm (i.e., total distance traveled by neutrons in the spatial
+            tally region).
 
         .. versionadded:: 0.15.0
     resonance_scattering : dict
@@ -1084,6 +1090,8 @@ class Settings:
                                       random_ray[key], 0.0, True)
             elif key == 'ray_source':
                 cv.check_type('random ray source', random_ray[key], SourceBase)
+            elif key == 'volume_normalized_flux_tallies':
+                cv.check_type('volume normalized flux tallies', random_ray[key], bool)
             else:
                 raise ValueError(f'Unable to set random ray to "{key}" which is '
                                  'unsupported by OpenMC')
@@ -1877,6 +1885,10 @@ class Settings:
                 elif child.tag == 'source':
                     source = SourceBase.from_xml_element(child)
                     self.random_ray['ray_source'] = source
+                elif child.tag == 'volume_normalized_flux_tallies':
+                    self.random_ray['volume_normalized_flux_tallies'] = (
+                        child.text in ('true', '1')
+                    )
 
     def to_xml_element(self, mesh_memo=None):
         """Create a 'settings' element to be written to an XML file.
diff --git a/src/random_ray/flat_source_domain.cpp b/src/random_ray/flat_source_domain.cpp
index 792e97da0..29b72c77b 100644
--- a/src/random_ray/flat_source_domain.cpp
+++ b/src/random_ray/flat_source_domain.cpp
@@ -23,6 +23,9 @@ namespace openmc {
 // FlatSourceDomain implementation
 //==============================================================================
 
+// Static Variable Declarations
+bool FlatSourceDomain::volume_normalized_flux_tallies_ {false};
+
 FlatSourceDomain::FlatSourceDomain() : negroups_(data::mg.num_energy_groups_)
 {
   // Count the number of source regions, compute the cell offset
@@ -81,15 +84,17 @@ FlatSourceDomain::FlatSourceDomain() : negroups_(data::mg.num_energy_groups_)
   }
 
   // Initialize tally volumes
-  tally_volumes_.resize(model::tallies.size());
-  for (int i = 0; i < model::tallies.size(); i++) {
-    //  Get the shape of the 3D result tensor
-    auto shape = model::tallies[i]->results().shape();
+  if (volume_normalized_flux_tallies_) {
+    tally_volumes_.resize(model::tallies.size());
+    for (int i = 0; i < model::tallies.size(); i++) {
+      //  Get the shape of the 3D result tensor
+      auto shape = model::tallies[i]->results().shape();
 
-    // Create a new 2D tensor with the same size as the first
-    // two dimensions of the 3D tensor
-    tally_volumes_[i] =
-      xt::xtensor<double, 2>::from_shape({shape[0], shape[1]});
+      // Create a new 2D tensor with the same size as the first
+      // two dimensions of the 3D tensor
+      tally_volumes_[i] =
+        xt::xtensor<double, 2>::from_shape({shape[0], shape[1]});
+    }
   }
 
   // Compute simulation domain volume based on ray source
@@ -462,13 +467,65 @@ void FlatSourceDomain::convert_source_regions_to_tallies()
 // Set the volume accumulators to zero for all tallies
 void FlatSourceDomain::reset_tally_volumes()
 {
+  if (volume_normalized_flux_tallies_) {
 #pragma omp parallel for
-  for (int i = 0; i < tally_volumes_.size(); i++) {
-    auto& tensor = tally_volumes_[i];
-    tensor.fill(0.0); // Set all elements of the tensor to 0.0
+    for (int i = 0; i < tally_volumes_.size(); i++) {
+      auto& tensor = tally_volumes_[i];
+      tensor.fill(0.0); // Set all elements of the tensor to 0.0
+    }
   }
 }
 
+// In fixed source mode, due to the way that volumetric fixed sources are
+// converted and applied as volumetric sources in one or more source regions,
+// we need to perform an additional normalization step to ensure that the
+// reported scalar fluxes are in units per source neutron. This allows for
+// direct comparison of reported tallies to Monte Carlo flux results.
+// This factor needs to be computed at each iteration, as it is based on the
+// volume estimate of each FSR, which improves over the course of the simulation
+double FlatSourceDomain::compute_fixed_source_normalization_factor() const
+{
+  // If we are not in fixed source mode, then there are no external sources
+  // so no normalization is needed.
+  if (settings::run_mode != RunMode::FIXED_SOURCE) {
+    return 1.0;
+  }
+
+  // Step 1 is to sum over all source regions and energy groups to get the
+  // total external source strength in the simulation.
+  double simulation_external_source_strength = 0.0;
+#pragma omp parallel for reduction(+ : simulation_external_source_strength)
+  for (int sr = 0; sr < n_source_regions_; sr++) {
+    int material = material_[sr];
+    double volume = volume_[sr] * simulation_volume_;
+    for (int e = 0; e < negroups_; e++) {
+      // Temperature and angle indices, if using multiple temperature
+      // data sets and/or anisotropic data sets.
+      // TODO: Currently assumes we are only using single temp/single
+      // angle data.
+      const int t = 0;
+      const int a = 0;
+      float sigma_t = data::mg.macro_xs_[material].get_xs(
+        MgxsType::TOTAL, e, nullptr, nullptr, nullptr, t, a);
+      simulation_external_source_strength +=
+        external_source_[sr * negroups_ + e] * sigma_t * volume;
+    }
+  }
+
+  // Step 2 is to determine the total user-specified external source strength
+  double user_external_source_strength = 0.0;
+  for (auto& ext_source : model::external_sources) {
+    user_external_source_strength += ext_source->strength();
+  }
+
+  // The correction factor is the ratio of the user-specified external source
+  // strength to the simulation external source strength.
+  double source_normalization_factor =
+    user_external_source_strength / simulation_external_source_strength;
+
+  return source_normalization_factor;
+}
+
 // Tallying in random ray is not done directly during transport, rather,
 // it is done only once after each power iteration. This is made possible
 // by way of a mapping data structure that relates spatial source regions
@@ -492,6 +549,9 @@ void FlatSourceDomain::random_ray_tally()
   const int t = 0;
   const int a = 0;
 
+  double source_normalization_factor =
+    compute_fixed_source_normalization_factor();
+
 // We loop over all source regions and energy groups. For each
 // element, we check if there are any scores needed and apply
 // them.
@@ -510,7 +570,7 @@ void FlatSourceDomain::random_ray_tally()
     double material = material_[sr];
     for (int g = 0; g < negroups_; g++) {
       int idx = sr * negroups_ + g;
-      double flux = scalar_flux_new_[idx];
+      double flux = scalar_flux_new_[idx] * source_normalization_factor;
 
       // Determine numerical score value
       for (auto& task : tally_task_[idx]) {
@@ -561,11 +621,13 @@ void FlatSourceDomain::random_ray_tally()
     // For flux tallies, the total volume of the spatial region is needed
     // for normalizing the flux. We store this volume in a separate tensor.
     // We only contribute to each volume tally bin once per FSR.
-    for (const auto& task : volume_task_[sr]) {
-      if (task.score_type == SCORE_FLUX) {
+    if (volume_normalized_flux_tallies_) {
+      for (const auto& task : volume_task_[sr]) {
+        if (task.score_type == SCORE_FLUX) {
 #pragma omp atomic
-        tally_volumes_[task.tally_idx](task.filter_idx, task.score_idx) +=
-          volume;
+          tally_volumes_[task.tally_idx](task.filter_idx, task.score_idx) +=
+            volume;
+        }
       }
     }
   } // end FSR loop
@@ -575,16 +637,18 @@ void FlatSourceDomain::random_ray_tally()
   // and then scores. For each score, we check the tally data structure to
   // see what index that score corresponds to. If that score is a flux score,
   // then we divide it by volume.
-  for (int i = 0; i < model::tallies.size(); i++) {
-    Tally& tally {*model::tallies[i]};
+  if (volume_normalized_flux_tallies_) {
+    for (int i = 0; i < model::tallies.size(); i++) {
+      Tally& tally {*model::tallies[i]};
 #pragma omp parallel for
-    for (int bin = 0; bin < tally.n_filter_bins(); bin++) {
-      for (int score_idx = 0; score_idx < tally.n_scores(); score_idx++) {
-        auto score_type = tally.scores_[score_idx];
-        if (score_type == SCORE_FLUX) {
-          double vol = tally_volumes_[i](bin, score_idx);
-          if (vol > 0.0) {
-            tally.results_(bin, score_idx, TallyResult::VALUE) /= vol;
+      for (int bin = 0; bin < tally.n_filter_bins(); bin++) {
+        for (int score_idx = 0; score_idx < tally.n_scores(); score_idx++) {
+          auto score_type = tally.scores_[score_idx];
+          if (score_type == SCORE_FLUX) {
+            double vol = tally_volumes_[i](bin, score_idx);
+            if (vol > 0.0) {
+              tally.results_(bin, score_idx, TallyResult::VALUE) /= vol;
+            }
           }
         }
       }
@@ -767,6 +831,9 @@ void FlatSourceDomain::output_to_vtk() const
       }
     }
 
+    double source_normalization_factor =
+      compute_fixed_source_normalization_factor();
+
     // Open file for writing
     std::FILE* plot = std::fopen(filename.c_str(), "wb");
 
@@ -786,7 +853,8 @@ void FlatSourceDomain::output_to_vtk() const
       std::fprintf(plot, "LOOKUP_TABLE default\n");
       for (int fsr : voxel_indices) {
         int64_t source_element = fsr * negroups_ + g;
-        float flux = scalar_flux_final_[source_element];
+        float flux =
+          scalar_flux_final_[source_element] * source_normalization_factor;
         flux /= (settings::n_batches - settings::n_inactive);
         flux = convert_to_big_endian<float>(flux);
         std::fwrite(&flux, sizeof(float), 1, plot);
@@ -819,7 +887,8 @@ void FlatSourceDomain::output_to_vtk() const
       int mat = material_[fsr];
       for (int g = 0; g < negroups_; g++) {
         int64_t source_element = fsr * negroups_ + g;
-        float flux = scalar_flux_final_[source_element];
+        float flux =
+          scalar_flux_final_[source_element] * source_normalization_factor;
         flux /= (settings::n_batches - settings::n_inactive);
         float Sigma_f = data::mg.macro_xs_[mat].get_xs(
           MgxsType::FISSION, g, nullptr, nullptr, nullptr, 0, 0);
diff --git a/src/settings.cpp b/src/settings.cpp
index 4ffa50cdf..b92b77df9 100644
--- a/src/settings.cpp
+++ b/src/settings.cpp
@@ -269,6 +269,10 @@ void get_run_parameters(pugi::xml_node node_base)
     } else {
       fatal_error("Specify random ray source in settings XML");
     }
+    if (check_for_node(random_ray_node, "volume_normalized_flux_tallies")) {
+      FlatSourceDomain::volume_normalized_flux_tallies_ =
+        get_node_value_bool(random_ray_node, "volume_normalized_flux_tallies");
+    }
   }
 }
 
diff --git a/tests/regression_tests/random_ray_basic/inputs_true.dat b/tests/regression_tests/random_ray_basic/inputs_true.dat
index 97b7906f7..a2b058f2b 100644
--- a/tests/regression_tests/random_ray_basic/inputs_true.dat
+++ b/tests/regression_tests/random_ray_basic/inputs_true.dat
@@ -85,6 +85,7 @@
           <parameters>-1.26 -1.26 -1 1.26 1.26 1</parameters>
         </space>
       </source>
+      <volume_normalized_flux_tallies>True</volume_normalized_flux_tallies>
     </random_ray>
   </settings>
   <tallies>
diff --git a/tests/regression_tests/random_ray_basic/test.py b/tests/regression_tests/random_ray_basic/test.py
index 1727a6371..c00d25880 100644
--- a/tests/regression_tests/random_ray_basic/test.py
+++ b/tests/regression_tests/random_ray_basic/test.py
@@ -190,6 +190,7 @@ def random_ray_model() -> openmc.Model:
     settings.random_ray['distance_active'] = 100.0
     settings.random_ray['distance_inactive'] = 20.0
     settings.random_ray['ray_source'] = rr_source
+    settings.random_ray['volume_normalized_flux_tallies'] = True
 
     ###############################################################################
     # Define tallies
diff --git a/tests/regression_tests/random_ray_cube/False_hybrid/inputs_true.dat b/tests/regression_tests/random_ray_cube/False_hybrid/inputs_true.dat
new file mode 100644
index 000000000..82c24291b
--- /dev/null
+++ b/tests/regression_tests/random_ray_cube/False_hybrid/inputs_true.dat
@@ -0,0 +1,1018 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <cross_sections>mgxs.h5</cross_sections>
+    <material id="1" name="source">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="source"/>
+    </material>
+    <material id="2" name="void">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="void"/>
+    </material>
+    <material id="3" name="absorber">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="absorber"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" name="infinite source region" universe="1"/>
+    <cell id="2" material="2" name="infinite void region" universe="2"/>
+    <cell id="3" material="3" name="infinite absorber region" universe="3"/>
+    <cell fill="4" id="4" universe="5"/>
+    <cell fill="5" id="5" name="full domain" region="1 -2 3 -4 5 -6" universe="6"/>
+    <lattice id="4">
+      <pitch>1.0 1.0 1.0</pitch>
+      <dimension>30 30 30</dimension>
+      <lower_left>0.0 0.0 0.0</lower_left>
+      <universes>
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
+1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
+1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
+1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
+1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
+1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
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+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 </universes>
+    </lattice>
+    <surface boundary="reflective" coeffs="0.0" id="1" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="30.0" id="2" type="x-plane"/>
+    <surface boundary="reflective" coeffs="0.0" id="3" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="30.0" id="4" type="y-plane"/>
+    <surface boundary="reflective" coeffs="0.0" id="5" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="30.0" id="6" type="z-plane"/>
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>90</particles>
+    <batches>10</batches>
+    <inactive>5</inactive>
+    <source particle="neutron" strength="3.14" type="independent">
+      <energy type="discrete">
+        <parameters>100.0 1.0</parameters>
+      </energy>
+      <constraints>
+        <domain_type>universe</domain_type>
+        <domain_ids>1</domain_ids>
+      </constraints>
+    </source>
+    <energy_mode>multi-group</energy_mode>
+    <random_ray>
+      <distance_active>500.0</distance_active>
+      <distance_inactive>100.0</distance_inactive>
+      <source particle="neutron" strength="1.0" type="independent">
+        <space type="box">
+          <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
+        </space>
+      </source>
+      <volume_normalized_flux_tallies>False</volume_normalized_flux_tallies>
+    </random_ray>
+  </settings>
+  <tallies>
+    <filter id="3" type="material">
+      <bins>1</bins>
+    </filter>
+    <filter id="2" type="material">
+      <bins>2</bins>
+    </filter>
+    <filter id="1" type="material">
+      <bins>3</bins>
+    </filter>
+    <tally id="3" name="Source Tally">
+      <filters>3</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="2" name="Void Tally">
+      <filters>2</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="1" name="Absorber Tally">
+      <filters>1</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/random_ray_cube/False_hybrid/results_true.dat b/tests/regression_tests/random_ray_cube/False_hybrid/results_true.dat
new file mode 100644
index 000000000..88718c5bf
--- /dev/null
+++ b/tests/regression_tests/random_ray_cube/False_hybrid/results_true.dat
@@ -0,0 +1,9 @@
+tally 1:
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+tally 2:
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+tally 3:
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diff --git a/tests/regression_tests/random_ray_cube/True_hybrid/inputs_true.dat b/tests/regression_tests/random_ray_cube/True_hybrid/inputs_true.dat
new file mode 100644
index 000000000..464c34404
--- /dev/null
+++ b/tests/regression_tests/random_ray_cube/True_hybrid/inputs_true.dat
@@ -0,0 +1,1018 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <cross_sections>mgxs.h5</cross_sections>
+    <material id="1" name="source">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="source"/>
+    </material>
+    <material id="2" name="void">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="void"/>
+    </material>
+    <material id="3" name="absorber">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="absorber"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" name="infinite source region" universe="1"/>
+    <cell id="2" material="2" name="infinite void region" universe="2"/>
+    <cell id="3" material="3" name="infinite absorber region" universe="3"/>
+    <cell fill="4" id="4" universe="5"/>
+    <cell fill="5" id="5" name="full domain" region="1 -2 3 -4 5 -6" universe="6"/>
+    <lattice id="4">
+      <pitch>1.0 1.0 1.0</pitch>
+      <dimension>30 30 30</dimension>
+      <lower_left>0.0 0.0 0.0</lower_left>
+      <universes>
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+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 </universes>
+    </lattice>
+    <surface boundary="reflective" coeffs="0.0" id="1" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="30.0" id="2" type="x-plane"/>
+    <surface boundary="reflective" coeffs="0.0" id="3" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="30.0" id="4" type="y-plane"/>
+    <surface boundary="reflective" coeffs="0.0" id="5" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="30.0" id="6" type="z-plane"/>
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>90</particles>
+    <batches>10</batches>
+    <inactive>5</inactive>
+    <source particle="neutron" strength="3.14" type="independent">
+      <energy type="discrete">
+        <parameters>100.0 1.0</parameters>
+      </energy>
+      <constraints>
+        <domain_type>universe</domain_type>
+        <domain_ids>1</domain_ids>
+      </constraints>
+    </source>
+    <energy_mode>multi-group</energy_mode>
+    <random_ray>
+      <distance_active>500.0</distance_active>
+      <distance_inactive>100.0</distance_inactive>
+      <source particle="neutron" strength="1.0" type="independent">
+        <space type="box">
+          <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
+        </space>
+      </source>
+      <volume_normalized_flux_tallies>True</volume_normalized_flux_tallies>
+    </random_ray>
+  </settings>
+  <tallies>
+    <filter id="3" type="material">
+      <bins>1</bins>
+    </filter>
+    <filter id="2" type="material">
+      <bins>2</bins>
+    </filter>
+    <filter id="1" type="material">
+      <bins>3</bins>
+    </filter>
+    <tally id="3" name="Source Tally">
+      <filters>3</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="2" name="Void Tally">
+      <filters>2</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="1" name="Absorber Tally">
+      <filters>1</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/random_ray_cube/True_hybrid/results_true.dat b/tests/regression_tests/random_ray_cube/True_hybrid/results_true.dat
new file mode 100644
index 000000000..4a2996740
--- /dev/null
+++ b/tests/regression_tests/random_ray_cube/True_hybrid/results_true.dat
@@ -0,0 +1,9 @@
+tally 1:
+-5.230164E+02
+1.818988E+05
+tally 2:
+3.067508E-02
+2.037701E-04
+tally 3:
+1.941220E-03
+7.892297E-07
diff --git a/tests/regression_tests/random_ray_cube/__init__.py b/tests/regression_tests/random_ray_cube/__init__.py
new file mode 100644
index 000000000..e69de29bb
diff --git a/tests/regression_tests/random_ray_cube/test.py b/tests/regression_tests/random_ray_cube/test.py
new file mode 100644
index 000000000..51d61ae79
--- /dev/null
+++ b/tests/regression_tests/random_ray_cube/test.py
@@ -0,0 +1,231 @@
+import os
+
+import numpy as np
+import openmc
+from openmc.utility_funcs import change_directory
+import pytest
+
+from tests.testing_harness import TolerantPyAPITestHarness
+
+# Creates a 3 region cube with different fills in each region
+def fill_cube(N, n_1, n_2, fill_1, fill_2, fill_3):
+    cube = [[[0 for _ in range(N)] for _ in range(N)] for _ in range(N)]
+    for i in range(N):
+        for j in range(N):
+            for k in range(N):
+                if i < n_1 and j >= (N-n_1) and k < n_1:
+                    cube[i][j][k] = fill_1
+                elif i < n_2 and j >= (N-n_2) and k < n_2:
+                    cube[i][j][k] = fill_2
+                else:
+                    cube[i][j][k] = fill_3
+    return cube
+
+class MGXSTestHarness(TolerantPyAPITestHarness):
+    def _cleanup(self):
+        super()._cleanup()
+        f = 'mgxs.h5'
+        if os.path.exists(f):
+            os.remove(f)
+
+def create_random_ray_model(volume_normalize, estimator):
+    openmc.reset_auto_ids()
+    ###############################################################################
+    # Create multigroup data
+
+    # Instantiate the energy group data
+    ebins = [1e-5, 20.0e6]
+    groups = openmc.mgxs.EnergyGroups(group_edges=ebins)
+
+    void_sigma_a = 4.0e-6
+    void_sigma_s = 3.0e-4
+    void_mat_data = openmc.XSdata('void', groups)
+    void_mat_data.order = 0
+    void_mat_data.set_total([void_sigma_a + void_sigma_s])
+    void_mat_data.set_absorption([void_sigma_a])
+    void_mat_data.set_scatter_matrix(np.rollaxis(np.array([[[void_sigma_s]]]),0,3))
+
+    absorber_sigma_a = 0.75
+    absorber_sigma_s = 0.25
+    absorber_mat_data = openmc.XSdata('absorber', groups)
+    absorber_mat_data.order = 0
+    absorber_mat_data.set_total([absorber_sigma_a + absorber_sigma_s])
+    absorber_mat_data.set_absorption([absorber_sigma_a])
+    absorber_mat_data.set_scatter_matrix(np.rollaxis(np.array([[[absorber_sigma_s]]]),0,3))
+
+    multiplier = 0.1
+    source_sigma_a = void_sigma_a * multiplier
+    source_sigma_s = void_sigma_s * multiplier
+    source_mat_data = openmc.XSdata('source', groups)
+    source_mat_data.order = 0
+    print(source_sigma_a + source_sigma_s)
+    source_mat_data.set_total([source_sigma_a + source_sigma_s])
+    source_mat_data.set_absorption([source_sigma_a])
+    source_mat_data.set_scatter_matrix(np.rollaxis(np.array([[[source_sigma_s]]]),0,3))
+
+    mg_cross_sections_file = openmc.MGXSLibrary(groups)
+    mg_cross_sections_file.add_xsdatas([source_mat_data, void_mat_data, absorber_mat_data])
+    mg_cross_sections_file.export_to_hdf5()
+
+    ###############################################################################
+    # Create materials for the problem
+
+    # Instantiate some Macroscopic Data
+    source_data = openmc.Macroscopic('source')
+    void_data   = openmc.Macroscopic('void')
+    absorber_data = openmc.Macroscopic('absorber')
+
+    # Instantiate some Materials and register the appropriate Macroscopic objects
+    source_mat = openmc.Material(name='source')
+    source_mat.set_density('macro', 1.0)
+    source_mat.add_macroscopic(source_data)
+
+    void_mat = openmc.Material(name='void')
+    void_mat.set_density('macro', 1.0)
+    void_mat.add_macroscopic(void_data)
+
+    absorber_mat = openmc.Material(name='absorber')
+    absorber_mat.set_density('macro', 1.0)
+    absorber_mat.add_macroscopic(absorber_data)
+
+    # Instantiate a Materials collection and export to XML
+    materials_file = openmc.Materials([source_mat, void_mat, absorber_mat])
+    materials_file.cross_sections = "mgxs.h5"
+
+    ###############################################################################
+    # Define problem geometry
+
+    source_cell = openmc.Cell(fill=source_mat, name='infinite source region')
+    void_cell = openmc.Cell(fill=void_mat, name='infinite void region')
+    absorber_cell = openmc.Cell(fill=absorber_mat, name='infinite absorber region')
+
+    source_universe = openmc.Universe()
+    source_universe.add_cells([source_cell])
+
+    void_universe = openmc.Universe()
+    void_universe.add_cells([void_cell])
+
+    absorber_universe = openmc.Universe()
+    absorber_universe.add_cells([absorber_cell])
+
+    absorber_width = 30.0
+    n_base = 6
+
+    # This variable can be increased above 1 to refine the FSR mesh resolution further
+    refinement_level = 5
+
+    n = n_base * refinement_level
+    pitch = absorber_width / n
+
+    pattern = fill_cube(n, 1*refinement_level, 5*refinement_level, source_universe, void_universe, absorber_universe)
+
+    lattice = openmc.RectLattice()
+    lattice.lower_left = [0.0, 0.0, 0.0]
+    lattice.pitch = [pitch, pitch, pitch]
+    lattice.universes = pattern
+    #print(lattice)
+
+    lattice_cell = openmc.Cell(fill=lattice)
+
+    lattice_uni = openmc.Universe()
+    lattice_uni.add_cells([lattice_cell])
+
+    x_low  = openmc.XPlane(x0=0.0,boundary_type='reflective') 
+    x_high = openmc.XPlane(x0=absorber_width,boundary_type='vacuum') 
+
+    y_low  = openmc.YPlane(y0=0.0,boundary_type='reflective') 
+    y_high = openmc.YPlane(y0=absorber_width,boundary_type='vacuum') 
+
+    z_low  = openmc.ZPlane(z0=0.0,boundary_type='reflective') 
+    z_high = openmc.ZPlane(z0=absorber_width,boundary_type='vacuum') 
+
+    full_domain = openmc.Cell(fill=lattice_uni, region=+x_low & -x_high & +y_low & -y_high & +z_low & -z_high, name='full domain')
+
+    root = openmc.Universe(name='root universe')
+    root.add_cell(full_domain)
+
+    # Create a geometry with the two cells and export to XML
+    geometry = openmc.Geometry(root)
+
+    ###############################################################################
+    # Define problem settings
+
+    # Instantiate a Settings object, set all runtime parameters, and export to XML
+    settings = openmc.Settings()
+    settings.energy_mode = "multi-group"
+    settings.inactive = 5
+    settings.batches = 10
+    settings.particles = 90
+    settings.run_mode = 'fixed source'
+
+    # Create an initial uniform spatial source for ray integration
+    lower_left_ray = [0.0, 0.0, 0.0]
+    upper_right_ray = [absorber_width, absorber_width, absorber_width]
+    uniform_dist_ray = openmc.stats.Box(lower_left_ray, upper_right_ray, only_fissionable=False)
+    rr_source = openmc.IndependentSource(space=uniform_dist_ray)
+
+    settings.random_ray['distance_active'] = 500.0
+    settings.random_ray['distance_inactive'] = 100.0
+    settings.random_ray['ray_source'] = rr_source
+    settings.random_ray['volume_normalized_flux_tallies'] = volume_normalize
+
+    #settings.random_ray['volume_estimator'] = estimator
+
+    # Create the neutron source in the bottom right of the moderator
+    strengths = [1.0] # Good - fast group appears largest (besides most thermal)
+    midpoints = [100.0]
+    energy_distribution = openmc.stats.Discrete(x=midpoints,p=strengths)
+
+    source = openmc.IndependentSource(energy=energy_distribution, constraints={'domains':[source_universe]}, strength=3.14)
+
+    settings.source = [source]
+
+    ###############################################################################
+    # Define tallies
+
+    estimator = 'tracklength'
+
+    absorber_filter = openmc.MaterialFilter(absorber_mat)
+    absorber_tally = openmc.Tally(name="Absorber Tally")
+    absorber_tally.filters = [absorber_filter]
+    absorber_tally.scores = ['flux']
+    absorber_tally.estimator = estimator
+
+    void_filter = openmc.MaterialFilter(void_mat)
+    void_tally = openmc.Tally(name="Void Tally")
+    void_tally.filters = [void_filter]
+    void_tally.scores = ['flux']
+    void_tally.estimator = estimator
+
+    source_filter = openmc.MaterialFilter(source_mat)
+    source_tally = openmc.Tally(name="Source Tally")
+    source_tally.filters = [source_filter]
+    source_tally.scores = ['flux']
+    source_tally.estimator = estimator
+
+    # Instantiate a Tallies collection and export to XML
+    tallies = openmc.Tallies([source_tally, void_tally, absorber_tally])
+
+    ###############################################################################
+    # Assmble Model
+
+    model = openmc.model.Model()
+    model.geometry = geometry
+    model.materials = materials_file
+    model.settings = settings
+    model.xs_data = mg_cross_sections_file
+    model.tallies = tallies
+
+    return model
+
+@pytest.mark.parametrize("volume_normalize, estimator", [
+    (False, "hybrid"),
+    (True, "hybrid")
+])
+def test_random_ray_cube(volume_normalize, estimator):
+    # Generating a unique directory name from the parameters
+    directory_name = f"{volume_normalize}_{estimator}"
+    with change_directory(directory_name):
+        model = create_random_ray_model(volume_normalize, estimator)
+        harness = MGXSTestHarness('statepoint.10.h5', model)
+        harness.main()
\ No newline at end of file
diff --git a/tests/regression_tests/random_ray_fixed_source/cell/inputs_true.dat b/tests/regression_tests/random_ray_fixed_source/cell/inputs_true.dat
index 99e67745a..a8eaa0096 100644
--- a/tests/regression_tests/random_ray_fixed_source/cell/inputs_true.dat
+++ b/tests/regression_tests/random_ray_fixed_source/cell/inputs_true.dat
@@ -153,6 +153,7 @@
     <random_ray>
       <distance_active>400.0</distance_active>
       <distance_inactive>100.0</distance_inactive>
+      <volume_normalized_flux_tallies>False</volume_normalized_flux_tallies>
       <source particle="neutron" strength="1.0" type="independent">
         <space type="box">
           <parameters>0.0 0.0 0.0 60.0 100.0 60.0</parameters>
diff --git a/tests/regression_tests/random_ray_fixed_source/cell/results_true.dat b/tests/regression_tests/random_ray_fixed_source/cell/results_true.dat
index df923ab23..ba1254d38 100644
--- a/tests/regression_tests/random_ray_fixed_source/cell/results_true.dat
+++ b/tests/regression_tests/random_ray_fixed_source/cell/results_true.dat
@@ -1,47 +1,47 @@
 tally 1:
-3.751048E+01
+3.751047E+01
 2.841797E+02
-9.930788E+00
-1.988180E+01
-3.781121E+00
-3.005165E+00
-2.383139E+00
-1.232560E+00
-1.561884E+00
-6.440577E-01
-1.089787E+00
-3.724896E-01
-6.608456E-01
-1.285592E-01
-2.372611E-01
-1.601299E-02
-7.814803E-02
-1.765829E-03
-2.862108E-02
-2.460129E-04
+1.000671E+01
+2.020214E+01
+3.979569E+00
+3.330838E+00
+2.552971E+00
+1.407542E+00
+1.736764E+00
+7.948004E-01
+1.178834E+00
+4.328006E-01
+6.953895E-01
+1.408391E-01
+2.389347E-01
+1.617450E-02
+8.128516E-02
+1.903860E-03
+2.764062E-02
+2.285458E-04
 tally 2:
-1.089787E+00
-3.724896E-01
-3.767926E-01
-3.724399E-02
-8.614121E-02
-1.526889E-03
-3.610725E-02
-2.629885E-04
-1.466261E-02
-4.536997E-05
-4.653106E-03
-4.381672E-06
+1.178834E+00
+4.328006E-01
+3.982124E-01
+4.138078E-02
+9.676374E-02
+1.919297E-03
+3.944531E-02
+3.133733E-04
+1.554518E-02
+5.084822E-05
+4.815079E-03
+4.681450E-06
 tally 3:
-1.617918E-03
-6.317049E-07
-1.161473E-03
-2.789553E-07
-1.198879E-03
-3.189531E-07
-1.031737E-03
-2.207381E-07
-5.466329E-04
-6.166808E-08
-2.146062E-04
-9.937520E-09
+1.635823E-03
+6.482611E-07
+1.248235E-03
+3.227247E-07
+1.248195E-03
+3.488233E-07
+1.030935E-03
+2.206418E-07
+5.670315E-04
+6.648507E-08
+2.393638E-04
+1.242517E-08
diff --git a/tests/regression_tests/random_ray_fixed_source/material/inputs_true.dat b/tests/regression_tests/random_ray_fixed_source/material/inputs_true.dat
index 7fde0c419..e3ad3703b 100644
--- a/tests/regression_tests/random_ray_fixed_source/material/inputs_true.dat
+++ b/tests/regression_tests/random_ray_fixed_source/material/inputs_true.dat
@@ -153,6 +153,7 @@
     <random_ray>
       <distance_active>400.0</distance_active>
       <distance_inactive>100.0</distance_inactive>
+      <volume_normalized_flux_tallies>False</volume_normalized_flux_tallies>
       <source particle="neutron" strength="1.0" type="independent">
         <space type="box">
           <parameters>0.0 0.0 0.0 60.0 100.0 60.0</parameters>
diff --git a/tests/regression_tests/random_ray_fixed_source/material/results_true.dat b/tests/regression_tests/random_ray_fixed_source/material/results_true.dat
index e3d528909..ba1254d38 100644
--- a/tests/regression_tests/random_ray_fixed_source/material/results_true.dat
+++ b/tests/regression_tests/random_ray_fixed_source/material/results_true.dat
@@ -1,47 +1,47 @@
 tally 1:
 3.751047E+01
 2.841797E+02
-9.930788E+00
-1.988181E+01
-3.781121E+00
-3.005165E+00
-2.383139E+00
-1.232560E+00
-1.561884E+00
-6.440577E-01
-1.089787E+00
-3.724896E-01
-6.608456E-01
-1.285592E-01
-2.372611E-01
-1.601299E-02
-7.814803E-02
-1.765829E-03
-2.862108E-02
-2.460129E-04
+1.000671E+01
+2.020214E+01
+3.979569E+00
+3.330838E+00
+2.552971E+00
+1.407542E+00
+1.736764E+00
+7.948004E-01
+1.178834E+00
+4.328006E-01
+6.953895E-01
+1.408391E-01
+2.389347E-01
+1.617450E-02
+8.128516E-02
+1.903860E-03
+2.764062E-02
+2.285458E-04
 tally 2:
-1.089787E+00
-3.724896E-01
-3.767925E-01
-3.724398E-02
-8.614120E-02
-1.526889E-03
-3.610725E-02
-2.629885E-04
-1.466261E-02
-4.536997E-05
-4.653106E-03
-4.381672E-06
+1.178834E+00
+4.328006E-01
+3.982124E-01
+4.138078E-02
+9.676374E-02
+1.919297E-03
+3.944531E-02
+3.133733E-04
+1.554518E-02
+5.084822E-05
+4.815079E-03
+4.681450E-06
 tally 3:
-1.617918E-03
-6.317049E-07
-1.161473E-03
-2.789553E-07
-1.198879E-03
-3.189531E-07
-1.031737E-03
-2.207381E-07
-5.466329E-04
-6.166809E-08
-2.146062E-04
-9.937520E-09
+1.635823E-03
+6.482611E-07
+1.248235E-03
+3.227247E-07
+1.248195E-03
+3.488233E-07
+1.030935E-03
+2.206418E-07
+5.670315E-04
+6.648507E-08
+2.393638E-04
+1.242517E-08
diff --git a/tests/regression_tests/random_ray_fixed_source/test.py b/tests/regression_tests/random_ray_fixed_source/test.py
index 41a6c35bb..7ceadca5b 100644
--- a/tests/regression_tests/random_ray_fixed_source/test.py
+++ b/tests/regression_tests/random_ray_fixed_source/test.py
@@ -251,6 +251,7 @@ def create_random_ray_model(domain_type):
 
     settings.random_ray['distance_active'] = 400.0
     settings.random_ray['distance_inactive'] = 100.0
+    settings.random_ray['volume_normalized_flux_tallies'] = False
 
     # Create an initial uniform spatial source for ray integration
     lower_left = (0.0, 0.0, 0.0)
diff --git a/tests/regression_tests/random_ray_fixed_source/universe/inputs_true.dat b/tests/regression_tests/random_ray_fixed_source/universe/inputs_true.dat
index 349917fee..efbc03adf 100644
--- a/tests/regression_tests/random_ray_fixed_source/universe/inputs_true.dat
+++ b/tests/regression_tests/random_ray_fixed_source/universe/inputs_true.dat
@@ -153,6 +153,7 @@
     <random_ray>
       <distance_active>400.0</distance_active>
       <distance_inactive>100.0</distance_inactive>
+      <volume_normalized_flux_tallies>False</volume_normalized_flux_tallies>
       <source particle="neutron" strength="1.0" type="independent">
         <space type="box">
           <parameters>0.0 0.0 0.0 60.0 100.0 60.0</parameters>
diff --git a/tests/regression_tests/random_ray_fixed_source/universe/results_true.dat b/tests/regression_tests/random_ray_fixed_source/universe/results_true.dat
index 36d24e939..ba1254d38 100644
--- a/tests/regression_tests/random_ray_fixed_source/universe/results_true.dat
+++ b/tests/regression_tests/random_ray_fixed_source/universe/results_true.dat
@@ -1,47 +1,47 @@
 tally 1:
 3.751047E+01
 2.841797E+02
-9.930788E+00
-1.988180E+01
-3.781121E+00
-3.005165E+00
-2.383139E+00
-1.232560E+00
-1.561884E+00
-6.440577E-01
-1.089787E+00
-3.724896E-01
-6.608456E-01
-1.285592E-01
-2.372611E-01
-1.601299E-02
-7.814803E-02
-1.765829E-03
-2.862107E-02
-2.460129E-04
+1.000671E+01
+2.020214E+01
+3.979569E+00
+3.330838E+00
+2.552971E+00
+1.407542E+00
+1.736764E+00
+7.948004E-01
+1.178834E+00
+4.328006E-01
+6.953895E-01
+1.408391E-01
+2.389347E-01
+1.617450E-02
+8.128516E-02
+1.903860E-03
+2.764062E-02
+2.285458E-04
 tally 2:
-1.089787E+00
-3.724896E-01
-3.767926E-01
-3.724399E-02
-8.614120E-02
-1.526889E-03
-3.610725E-02
-2.629885E-04
-1.466261E-02
-4.536997E-05
-4.653106E-03
-4.381672E-06
+1.178834E+00
+4.328006E-01
+3.982124E-01
+4.138078E-02
+9.676374E-02
+1.919297E-03
+3.944531E-02
+3.133733E-04
+1.554518E-02
+5.084822E-05
+4.815079E-03
+4.681450E-06
 tally 3:
-1.617918E-03
-6.317049E-07
-1.161473E-03
-2.789553E-07
-1.198879E-03
-3.189531E-07
-1.031737E-03
-2.207381E-07
-5.466329E-04
-6.166808E-08
-2.146062E-04
-9.937520E-09
+1.635823E-03
+6.482611E-07
+1.248235E-03
+3.227247E-07
+1.248195E-03
+3.488233E-07
+1.030935E-03
+2.206418E-07
+5.670315E-04
+6.648507E-08
+2.393638E-04
+1.242517E-08
diff --git a/tests/regression_tests/random_ray_vacuum/inputs_true.dat b/tests/regression_tests/random_ray_vacuum/inputs_true.dat
index 4ef109420..5b2fa0905 100644
--- a/tests/regression_tests/random_ray_vacuum/inputs_true.dat
+++ b/tests/regression_tests/random_ray_vacuum/inputs_true.dat
@@ -85,6 +85,7 @@
           <parameters>-1.26 -1.26 -1 1.26 1.26 1</parameters>
         </space>
       </source>
+      <volume_normalized_flux_tallies>True</volume_normalized_flux_tallies>
     </random_ray>
   </settings>
   <tallies>
diff --git a/tests/regression_tests/random_ray_vacuum/test.py b/tests/regression_tests/random_ray_vacuum/test.py
index e9ca22521..3923b8a81 100644
--- a/tests/regression_tests/random_ray_vacuum/test.py
+++ b/tests/regression_tests/random_ray_vacuum/test.py
@@ -193,6 +193,7 @@ def random_ray_model() -> openmc.Model:
     settings.random_ray['distance_active'] = 100.0
     settings.random_ray['distance_inactive'] = 20.0
     settings.random_ray['ray_source'] = rr_source
+    settings.random_ray['volume_normalized_flux_tallies'] = True
 
     ###############################################################################
     # Define tallies

From 653d8835dcefb6d4f46fab9695feec168e62302a Mon Sep 17 00:00:00 2001
From: John Vincent Cauilan <64677361+johvincau@users.noreply.github.com>
Date: Wed, 3 Jul 2024 12:44:20 -0500
Subject: [PATCH 2123/2654] Add missing show_overlaps option to plots.xml input
 file documentation (#3068)

---
 docs/source/io_formats/plots.rst | 12 ++++++++++++
 1 file changed, 12 insertions(+)

diff --git a/docs/source/io_formats/plots.rst b/docs/source/io_formats/plots.rst
index e6b75eafc..04d5720c8 100644
--- a/docs/source/io_formats/plots.rst
+++ b/docs/source/io_formats/plots.rst
@@ -151,6 +151,18 @@ attributes or sub-elements.  These are not used in "voxel" plots:
 
     *Default*: 255 255 255 (white)
 
+  :show_overlaps:
+    Indicates whether overlapping regions of different cells are shown. 
+
+    *Default*: None
+
+  :overlap_color:
+    Specifies the RGB color of overlapping regions of different cells. Does not 
+    do anything if ``show_overlaps`` is "false" or not specified. Should be 3 
+    integers separated by spaces.
+
+    *Default*: 255 0 0 (red)
+  
   :meshlines:
     The ``meshlines`` sub-element allows for plotting the boundaries of a
     regular mesh on top of a plot. Only one ``meshlines`` element is allowed per

From 1b22dd28d40a9f248ffcc26deab9427c8921d497 Mon Sep 17 00:00:00 2001
From: John Tramm <john.tramm@gmail.com>
Date: Wed, 3 Jul 2024 13:28:06 -0500
Subject: [PATCH 2124/2654] Random Ray Testing Simplification (#3061)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/__init__.py                            |    3 +-
 openmc/examples.py                            |  529 ++++++++-
 .../regression_tests/random_ray_basic/test.py |  233 ----
 .../False_hybrid/inputs_true.dat              | 1018 -----------------
 .../False_hybrid/results_true.dat             |    9 -
 .../True_hybrid/inputs_true.dat               | 1018 -----------------
 .../True_hybrid/results_true.dat              |    9 -
 .../regression_tests/random_ray_cube/test.py  |  231 ----
 .../cell/inputs_true.dat                      |  205 ----
 .../cell/results_true.dat                     |   47 -
 .../material/inputs_true.dat                  |  205 ----
 .../material/results_true.dat                 |   47 -
 .../random_ray_fixed_source/test.py           |  340 ------
 .../universe/inputs_true.dat                  |  205 ----
 .../universe/results_true.dat                 |   47 -
 .../__init__.py                               |    0
 .../cell/inputs_true.dat                      |  244 ++++
 .../cell/results_true.dat                     |    9 +
 .../material/inputs_true.dat                  |  244 ++++
 .../material/results_true.dat                 |    9 +
 .../random_ray_fixed_source_domain/test.py    |   51 +
 .../universe/inputs_true.dat                  |  244 ++++
 .../universe/results_true.dat                 |    9 +
 .../False/inputs_true.dat                     |  244 ++++
 .../False/results_true.dat                    |    9 +
 .../True/inputs_true.dat                      |  244 ++++
 .../True/results_true.dat                     |    9 +
 .../__init__.py                               |    0
 .../test.py                                   |   27 +
 .../__init__.py                               |    0
 .../inputs_true.dat                           |    0
 .../results_true.dat                          |    0
 .../regression_tests/random_ray_k_eff/test.py |   19 +
 .../random_ray_vacuum/__init__.py             |    0
 .../random_ray_vacuum/inputs_true.dat         |  109 --
 .../random_ray_vacuum/results_true.dat        |  171 ---
 .../random_ray_vacuum/test.py                 |  236 ----
 37 files changed, 1869 insertions(+), 4155 deletions(-)
 delete mode 100644 tests/regression_tests/random_ray_basic/test.py
 delete mode 100644 tests/regression_tests/random_ray_cube/False_hybrid/inputs_true.dat
 delete mode 100644 tests/regression_tests/random_ray_cube/False_hybrid/results_true.dat
 delete mode 100644 tests/regression_tests/random_ray_cube/True_hybrid/inputs_true.dat
 delete mode 100644 tests/regression_tests/random_ray_cube/True_hybrid/results_true.dat
 delete mode 100644 tests/regression_tests/random_ray_cube/test.py
 delete mode 100644 tests/regression_tests/random_ray_fixed_source/cell/inputs_true.dat
 delete mode 100644 tests/regression_tests/random_ray_fixed_source/cell/results_true.dat
 delete mode 100644 tests/regression_tests/random_ray_fixed_source/material/inputs_true.dat
 delete mode 100644 tests/regression_tests/random_ray_fixed_source/material/results_true.dat
 delete mode 100644 tests/regression_tests/random_ray_fixed_source/test.py
 delete mode 100644 tests/regression_tests/random_ray_fixed_source/universe/inputs_true.dat
 delete mode 100644 tests/regression_tests/random_ray_fixed_source/universe/results_true.dat
 rename tests/regression_tests/{random_ray_basic => random_ray_fixed_source_domain}/__init__.py (100%)
 create mode 100644 tests/regression_tests/random_ray_fixed_source_domain/cell/inputs_true.dat
 create mode 100644 tests/regression_tests/random_ray_fixed_source_domain/cell/results_true.dat
 create mode 100644 tests/regression_tests/random_ray_fixed_source_domain/material/inputs_true.dat
 create mode 100644 tests/regression_tests/random_ray_fixed_source_domain/material/results_true.dat
 create mode 100644 tests/regression_tests/random_ray_fixed_source_domain/test.py
 create mode 100644 tests/regression_tests/random_ray_fixed_source_domain/universe/inputs_true.dat
 create mode 100644 tests/regression_tests/random_ray_fixed_source_domain/universe/results_true.dat
 create mode 100644 tests/regression_tests/random_ray_fixed_source_normalization/False/inputs_true.dat
 create mode 100644 tests/regression_tests/random_ray_fixed_source_normalization/False/results_true.dat
 create mode 100644 tests/regression_tests/random_ray_fixed_source_normalization/True/inputs_true.dat
 create mode 100644 tests/regression_tests/random_ray_fixed_source_normalization/True/results_true.dat
 rename tests/regression_tests/{random_ray_cube => random_ray_fixed_source_normalization}/__init__.py (100%)
 create mode 100644 tests/regression_tests/random_ray_fixed_source_normalization/test.py
 rename tests/regression_tests/{random_ray_fixed_source => random_ray_k_eff}/__init__.py (100%)
 rename tests/regression_tests/{random_ray_basic => random_ray_k_eff}/inputs_true.dat (100%)
 rename tests/regression_tests/{random_ray_basic => random_ray_k_eff}/results_true.dat (100%)
 create mode 100644 tests/regression_tests/random_ray_k_eff/test.py
 delete mode 100644 tests/regression_tests/random_ray_vacuum/__init__.py
 delete mode 100644 tests/regression_tests/random_ray_vacuum/inputs_true.dat
 delete mode 100644 tests/regression_tests/random_ray_vacuum/results_true.dat
 delete mode 100644 tests/regression_tests/random_ray_vacuum/test.py

diff --git a/openmc/__init__.py b/openmc/__init__.py
index d18e1188e..e589d35ef 100644
--- a/openmc/__init__.py
+++ b/openmc/__init__.py
@@ -32,11 +32,12 @@ from openmc.plotter import *
 from openmc.search import *
 from openmc.polynomial import *
 from openmc.tracks import *
-from . import examples
 from .config import *
 
 # Import a few names from the model module
 from openmc.model import Model
 
+from . import examples
+
 
 __version__ = '0.15.1-dev'
diff --git a/openmc/examples.py b/openmc/examples.py
index fc94b8b52..038c75ad2 100644
--- a/openmc/examples.py
+++ b/openmc/examples.py
@@ -3,10 +3,10 @@ from numbers import Integral
 import numpy as np
 
 import openmc
-import openmc.model
 
 
-def pwr_pin_cell():
+
+def pwr_pin_cell() -> openmc.Model:
     """Create a PWR pin-cell model.
 
     This model is a single fuel pin with 2.4 w/o enriched UO2 corresponding to a
@@ -16,11 +16,11 @@ def pwr_pin_cell():
 
     Returns
     -------
-    model : openmc.model.Model
+    model : openmc.Model
         A PWR pin-cell model
 
     """
-    model = openmc.model.Model()
+    model = openmc.Model()
 
     # Define materials.
     fuel = openmc.Material(name='UO2 (2.4%)')
@@ -77,7 +77,8 @@ def pwr_pin_cell():
     model.settings.inactive = 5
     model.settings.particles = 100
     model.settings.source = openmc.IndependentSource(
-        space=openmc.stats.Box([-pitch/2, -pitch/2, -1], [pitch/2, pitch/2, 1]),
+        space=openmc.stats.Box([-pitch/2, -pitch/2, -1],
+                               [pitch/2, pitch/2, 1]),
         constraints={'fissionable': True}
     )
 
@@ -89,7 +90,7 @@ def pwr_pin_cell():
     return model
 
 
-def pwr_core():
+def pwr_core() -> openmc.Model:
     """Create a PWR full-core model.
 
     This model is the OECD/NEA Monte Carlo Performance benchmark which is a
@@ -99,11 +100,11 @@ def pwr_core():
 
     Returns
     -------
-    model : openmc.model.Model
+    model : openmc.Model
         Full-core PWR model
 
     """
-    model = openmc.model.Model()
+    model = openmc.Model()
 
     # Define materials.
     fuel = openmc.Material(1, name='UOX fuel')
@@ -166,7 +167,8 @@ def pwr_core():
     lower_rad_ref.add_nuclide('Cr52', 0.145407678031, 'wo')
     lower_rad_ref.add_s_alpha_beta('c_H_in_H2O')
 
-    upper_rad_ref = openmc.Material(7, name='Upper radial reflector / Top plate region')
+    upper_rad_ref = openmc.Material(
+        7, name='Upper radial reflector / Top plate region')
     upper_rad_ref.set_density('g/cm3', 4.28)
     upper_rad_ref.add_nuclide('H1', 0.0086117, 'wo')
     upper_rad_ref.add_nuclide('O16', 0.0683369, 'wo')
@@ -313,13 +315,15 @@ def pwr_core():
                        11, 11, 11, 11, 11, 13, 13, 14, 14, 14])
 
     # Define fuel lattices.
-    l100 = openmc.RectLattice(name='Fuel assembly (lower half)', lattice_id=100)
+    l100 = openmc.RectLattice(
+        name='Fuel assembly (lower half)', lattice_id=100)
     l100.lower_left = (-10.71, -10.71)
     l100.pitch = (1.26, 1.26)
     l100.universes = np.tile(fuel_cold, (17, 17))
     l100.universes[tube_x, tube_y] = tube_cold
 
-    l101 = openmc.RectLattice(name='Fuel assembly (upper half)', lattice_id=101)
+    l101 = openmc.RectLattice(
+        name='Fuel assembly (upper half)', lattice_id=101)
     l101.lower_left = (-10.71, -10.71)
     l101.pitch = (1.26, 1.26)
     l101.universes = np.tile(fuel_hot, (17, 17))
@@ -405,10 +409,14 @@ def pwr_core():
     c6 = openmc.Cell(cell_id=6, fill=top_fa, region=-s5 & +s36 & -s37)
     c7 = openmc.Cell(cell_id=7, fill=top_nozzle, region=-s5 & +s37 & -s38)
     c8 = openmc.Cell(cell_id=8, fill=upper_rad_ref, region=-s7 & +s38 & -s39)
-    c9 = openmc.Cell(cell_id=9, fill=bot_nozzle, region=+s6 & -s7 & +s32 & -s38)
-    c10 = openmc.Cell(cell_id=10, fill=rpv_steel, region=+s7 & -s8 & +s31 & -s39)
-    c11 = openmc.Cell(cell_id=11, fill=lower_rad_ref, region=+s5 & -s6 & +s32 & -s34)
-    c12 = openmc.Cell(cell_id=12, fill=upper_rad_ref, region=+s5 & -s6 & +s36 & -s38)
+    c9 = openmc.Cell(cell_id=9, fill=bot_nozzle,
+                     region=+s6 & -s7 & +s32 & -s38)
+    c10 = openmc.Cell(cell_id=10, fill=rpv_steel,
+                      region=+s7 & -s8 & +s31 & -s39)
+    c11 = openmc.Cell(cell_id=11, fill=lower_rad_ref,
+                      region=+s5 & -s6 & +s32 & -s34)
+    c12 = openmc.Cell(cell_id=12, fill=upper_rad_ref,
+                      region=+s5 & -s6 & +s36 & -s38)
     root.add_cells((c1, c2, c3, c4, c5, c6, c7, c8, c9, c10, c11, c12))
 
     # Assign root universe to geometry
@@ -430,7 +438,7 @@ def pwr_core():
     return model
 
 
-def pwr_assembly():
+def pwr_assembly() -> openmc.Model:
     """Create a PWR assembly model.
 
     This model is a reflected 17x17 fuel assembly from the the `BEAVRS
@@ -440,12 +448,12 @@ def pwr_assembly():
 
     Returns
     -------
-    model : openmc.model.Model
+    model : openmc.Model
         A PWR assembly model
 
     """
 
-    model = openmc.model.Model()
+    model = openmc.Model()
 
     # Define materials.
     fuel = openmc.Material(name='Fuel')
@@ -489,10 +497,10 @@ def pwr_assembly():
     fuel_pin_universe = openmc.Universe(name='Fuel Pin')
     fuel_cell = openmc.Cell(name='fuel', fill=fuel, region=-fuel_or)
     clad_cell = openmc.Cell(name='clad', fill=clad, region=+fuel_or & -clad_or)
-    hot_water_cell = openmc.Cell(name='hot water', fill=hot_water, region=+clad_or)
+    hot_water_cell = openmc.Cell(
+        name='hot water', fill=hot_water, region=+clad_or)
     fuel_pin_universe.add_cells([fuel_cell, clad_cell, hot_water_cell])
 
-
     # Create a control rod guide tube universe
     guide_tube_universe = openmc.Universe(name='Guide Tube')
     gt_inner_cell = openmc.Cell(name='guide tube inner water', fill=hot_water,
@@ -530,7 +538,8 @@ def pwr_assembly():
     model.settings.inactive = 5
     model.settings.particles = 100
     model.settings.source = openmc.IndependentSource(
-        space=openmc.stats.Box([-pitch/2, -pitch/2, -1], [pitch/2, pitch/2, 1]),
+        space=openmc.stats.Box([-pitch/2, -pitch/2, -1],
+                               [pitch/2, pitch/2, 1]),
         constraints={'fissionable': True}
     )
 
@@ -544,7 +553,7 @@ def pwr_assembly():
     return model
 
 
-def slab_mg(num_regions=1, mat_names=None, mgxslib_name='2g.h5'):
+def slab_mg(num_regions=1, mat_names=None, mgxslib_name='2g.h5') -> openmc.Model:
     """Create a 1D slab model.
 
     Parameters
@@ -561,7 +570,7 @@ def slab_mg(num_regions=1, mat_names=None, mgxslib_name='2g.h5'):
 
     Returns
     -------
-    model : openmc.model.Model
+    model : openmc.Model
         One-group, 1D slab model
 
     """
@@ -637,10 +646,482 @@ def slab_mg(num_regions=1, mat_names=None, mgxslib_name='2g.h5'):
 
     settings_file.output = {'summary': False}
 
-    model = openmc.model.Model()
+    model = openmc.Model()
     model.geometry = geometry_file
     model.materials = materials_file
     model.settings = settings_file
     model.xs_data = macros
 
     return model
+
+
+def random_ray_lattice() -> openmc.Model:
+    """Create a 2x2 PWR pincell asymmetrical lattic eexample.
+
+    This model is a 2x2 reflective lattice of fuel pins with one of the lattice
+    locations having just moderator instead of a fuel pin. It uses 7 group
+    cross section data.
+
+    Returns
+    -------
+    model : openmc.Model
+        A PWR 2x2 lattice model
+
+    """
+    model = openmc.Model()
+
+    ###########################################################################
+    # Create MGXS data for the problem
+
+    # Instantiate the energy group data
+    group_edges = [1e-5, 0.0635, 10.0, 1.0e2, 1.0e3, 0.5e6, 1.0e6, 20.0e6]
+    groups = openmc.mgxs.EnergyGroups(group_edges)
+
+    # Instantiate the 7-group (C5G7) cross section data
+    uo2_xsdata = openmc.XSdata('UO2', groups)
+    uo2_xsdata.order = 0
+    uo2_xsdata.set_total(
+        [0.1779492, 0.3298048, 0.4803882, 0.5543674, 0.3118013, 0.3951678,
+         0.5644058])
+    uo2_xsdata.set_absorption([8.0248e-03, 3.7174e-03, 2.6769e-02, 9.6236e-02,
+                               3.0020e-02, 1.1126e-01, 2.8278e-01])
+    scatter_matrix = np.array(
+        [[[0.1275370, 0.0423780, 0.0000094, 0.0000000, 0.0000000, 0.0000000, 0.0000000],
+          [0.0000000, 0.3244560, 0.0016314, 0.0000000,
+              0.0000000, 0.0000000, 0.0000000],
+          [0.0000000, 0.0000000, 0.4509400, 0.0026792,
+              0.0000000, 0.0000000, 0.0000000],
+          [0.0000000, 0.0000000, 0.0000000, 0.4525650,
+              0.0055664, 0.0000000, 0.0000000],
+          [0.0000000, 0.0000000, 0.0000000, 0.0001253,
+              0.2714010, 0.0102550, 0.0000000],
+          [0.0000000, 0.0000000, 0.0000000, 0.0000000,
+              0.0012968, 0.2658020, 0.0168090],
+          [0.0000000, 0.0000000, 0.0000000, 0.0000000, 0.0000000, 0.0085458, 0.2730800]]])
+    scatter_matrix = np.rollaxis(scatter_matrix, 0, 3)
+    uo2_xsdata.set_scatter_matrix(scatter_matrix)
+    uo2_xsdata.set_fission([7.21206e-03, 8.19301e-04, 6.45320e-03,
+                            1.85648e-02, 1.78084e-02, 8.30348e-02,
+                            2.16004e-01])
+    uo2_xsdata.set_nu_fission([2.005998e-02, 2.027303e-03, 1.570599e-02,
+                               4.518301e-02, 4.334208e-02, 2.020901e-01,
+                               5.257105e-01])
+    uo2_xsdata.set_chi([5.8791e-01, 4.1176e-01, 3.3906e-04, 1.1761e-07, 0.0000e+00,
+                        0.0000e+00, 0.0000e+00])
+
+    h2o_xsdata = openmc.XSdata('LWTR', groups)
+    h2o_xsdata.order = 0
+    h2o_xsdata.set_total([0.15920605, 0.412969593, 0.59030986, 0.58435,
+                          0.718, 1.2544497, 2.650379])
+    h2o_xsdata.set_absorption([6.0105e-04, 1.5793e-05, 3.3716e-04,
+                               1.9406e-03, 5.7416e-03, 1.5001e-02,
+                               3.7239e-02])
+    scatter_matrix = np.array(
+        [[[0.0444777, 0.1134000, 0.0007235, 0.0000037, 0.0000001, 0.0000000, 0.0000000],
+          [0.0000000, 0.2823340, 0.1299400, 0.0006234,
+              0.0000480, 0.0000074, 0.0000010],
+          [0.0000000, 0.0000000, 0.3452560, 0.2245700,
+              0.0169990, 0.0026443, 0.0005034],
+          [0.0000000, 0.0000000, 0.0000000, 0.0910284,
+              0.4155100, 0.0637320, 0.0121390],
+          [0.0000000, 0.0000000, 0.0000000, 0.0000714,
+              0.1391380, 0.5118200, 0.0612290],
+          [0.0000000, 0.0000000, 0.0000000, 0.0000000,
+              0.0022157, 0.6999130, 0.5373200],
+          [0.0000000, 0.0000000, 0.0000000, 0.0000000, 0.0000000, 0.1324400, 2.4807000]]])
+    scatter_matrix = np.rollaxis(scatter_matrix, 0, 3)
+    h2o_xsdata.set_scatter_matrix(scatter_matrix)
+
+    mg_cross_sections = openmc.MGXSLibrary(groups)
+    mg_cross_sections.add_xsdatas([uo2_xsdata, h2o_xsdata])
+    mg_cross_sections.export_to_hdf5('mgxs.h5')
+
+    ###########################################################################
+    # Create materials for the problem
+
+    # Instantiate some Materials and register the appropriate macroscopic data
+    uo2 = openmc.Material(name='UO2 fuel')
+    uo2.set_density('macro', 1.0)
+    uo2.add_macroscopic('UO2')
+
+    water = openmc.Material(name='Water')
+    water.set_density('macro', 1.0)
+    water.add_macroscopic('LWTR')
+
+    # Instantiate a Materials collection and export to XML
+    materials = openmc.Materials([uo2, water])
+    materials.cross_sections = "mgxs.h5"
+
+    ###########################################################################
+    # Define problem geometry
+
+    ########################################
+    # Define an unbounded pincell universe
+
+    pitch = 1.26
+
+    # Create a surface for the fuel outer radius
+    fuel_or = openmc.ZCylinder(r=0.54, name='Fuel OR')
+    inner_ring_a = openmc.ZCylinder(r=0.33, name='inner ring a')
+    inner_ring_b = openmc.ZCylinder(r=0.45, name='inner ring b')
+    outer_ring_a = openmc.ZCylinder(r=0.60, name='outer ring a')
+    outer_ring_b = openmc.ZCylinder(r=0.69, name='outer ring b')
+
+    # Instantiate Cells
+    fuel_a = openmc.Cell(fill=uo2, region=-inner_ring_a, name='fuel inner a')
+    fuel_b = openmc.Cell(fill=uo2, region=+inner_ring_a & -
+                         inner_ring_b, name='fuel inner b')
+    fuel_c = openmc.Cell(fill=uo2, region=+inner_ring_b & -
+                         fuel_or, name='fuel inner c')
+    moderator_a = openmc.Cell(
+        fill=water, region=+fuel_or & -outer_ring_a, name='moderator inner a')
+    moderator_b = openmc.Cell(
+        fill=water, region=+outer_ring_a & -outer_ring_b, name='moderator outer b')
+    moderator_c = openmc.Cell(
+        fill=water, region=+outer_ring_b, name='moderator outer c')
+
+    # Create pincell universe
+    pincell_base = openmc.Universe()
+
+    # Register Cells with Universe
+    pincell_base.add_cells(
+        [fuel_a, fuel_b, fuel_c, moderator_a, moderator_b, moderator_c])
+
+    # Create planes for azimuthal sectors
+    azimuthal_planes = []
+    for i in range(8):
+        angle = 2 * i * openmc.pi / 8
+        normal_vector = (-openmc.sin(angle), openmc.cos(angle), 0)
+        azimuthal_planes.append(openmc.Plane(
+            a=normal_vector[0], b=normal_vector[1], c=normal_vector[2], d=0))
+
+    # Create a cell for each azimuthal sector
+    azimuthal_cells = []
+    for i in range(8):
+        azimuthal_cell = openmc.Cell(name=f'azimuthal_cell_{i}')
+        azimuthal_cell.fill = pincell_base
+        azimuthal_cell.region = +azimuthal_planes[i] & -azimuthal_planes[(i+1) % 8]
+        azimuthal_cells.append(azimuthal_cell)
+
+    # Create a geometry with the azimuthal universes
+    pincell = openmc.Universe(cells=azimuthal_cells)
+
+    ########################################
+    # Define a moderator lattice universe
+
+    moderator_infinite = openmc.Cell(fill=water, name='moderator infinite')
+    mu = openmc.Universe()
+    mu.add_cells([moderator_infinite])
+
+    lattice = openmc.RectLattice()
+    lattice.lower_left = [-pitch/2.0, -pitch/2.0]
+    lattice.pitch = [pitch/10.0, pitch/10.0]
+    lattice.universes = np.full((10, 10), mu)
+
+    mod_lattice_cell = openmc.Cell(fill=lattice)
+
+    mod_lattice_uni = openmc.Universe()
+
+    mod_lattice_uni.add_cells([mod_lattice_cell])
+
+    ########################################
+    # Define 2x2 outer lattice
+    lattice2x2 = openmc.RectLattice()
+    lattice2x2.lower_left = (-pitch, -pitch)
+    lattice2x2.pitch = (pitch, pitch)
+    lattice2x2.universes = [
+        [pincell, pincell],
+        [pincell, mod_lattice_uni]
+    ]
+
+    ########################################
+    # Define cell containing lattice and other stuff
+    box = openmc.model.RectangularPrism(
+        pitch*2, pitch*2, boundary_type='reflective')
+
+    assembly = openmc.Cell(fill=lattice2x2, region=-box, name='assembly')
+
+    # Create a geometry with the top-level cell
+    geometry = openmc.Geometry([assembly])
+
+    ###########################################################################
+    # Define problem settings
+
+    # Instantiate a Settings object, set all runtime parameters, and export to XML
+    settings = openmc.Settings()
+    settings.energy_mode = "multi-group"
+    settings.batches = 10
+    settings.inactive = 5
+    settings.particles = 100
+
+    # Create an initial uniform spatial source distribution over fissionable zones
+    lower_left = (-pitch, -pitch, -1)
+    upper_right = (pitch, pitch, 1)
+    uniform_dist = openmc.stats.Box(lower_left, upper_right)
+    rr_source = openmc.IndependentSource(space=uniform_dist)
+
+    settings.random_ray['distance_active'] = 100.0
+    settings.random_ray['distance_inactive'] = 20.0
+    settings.random_ray['ray_source'] = rr_source
+    settings.random_ray['volume_normalized_flux_tallies'] = True
+
+    ###########################################################################
+    # Define tallies
+
+    # Create a mesh that will be used for tallying
+    mesh = openmc.RegularMesh()
+    mesh.dimension = (2, 2)
+    mesh.lower_left = (-pitch, -pitch)
+    mesh.upper_right = (pitch, pitch)
+
+    # Create a mesh filter that can be used in a tally
+    mesh_filter = openmc.MeshFilter(mesh)
+
+    # Create an energy group filter as well
+    group_edges = [1e-5, 0.0635, 10.0, 1.0e2, 1.0e3, 0.5e6, 1.0e6, 20.0e6]
+    energy_filter = openmc.EnergyFilter(group_edges)
+
+    # Now use the mesh filter in a tally and indicate what scores are desired
+    tally = openmc.Tally(name="Mesh tally")
+    tally.filters = [mesh_filter, energy_filter]
+    tally.scores = ['flux', 'fission', 'nu-fission']
+    tally.estimator = 'analog'
+
+    # Instantiate a Tallies collection and export to XML
+    tallies = openmc.Tallies([tally])
+
+    ###########################################################################
+    #                   Exporting to OpenMC model
+    ###########################################################################
+
+    model.geometry = geometry
+    model.materials = materials
+    model.settings = settings
+    model.tallies = tallies
+    return model
+
+
+def random_ray_three_region_cube() -> openmc.Model:
+    """Create a three region cube model.
+
+    This is a simple monoenergetic problem of a cube with three concentric cubic
+    regions. The innermost region is near void (with Sigma_t around 10^-5) and
+    contains an external isotropic source term, the middle region is void (with
+    Sigma_t around 10^-4), and the outer region of the cube is an absorber
+    (with Sigma_t around 1).
+
+    Returns
+    -------
+    model : openmc.Model
+        A three region cube model
+
+    """
+
+    model = openmc.Model()
+
+    ###########################################################################
+    # Helper function creates a 3 region cube with different fills in each region
+    def fill_cube(N, n_1, n_2, fill_1, fill_2, fill_3):
+        cube = [[[0 for _ in range(N)] for _ in range(N)] for _ in range(N)]
+        for i in range(N):
+            for j in range(N):
+                for k in range(N):
+                    if i < n_1 and j >= (N-n_1) and k < n_1:
+                        cube[i][j][k] = fill_1
+                    elif i < n_2 and j >= (N-n_2) and k < n_2:
+                        cube[i][j][k] = fill_2
+                    else:
+                        cube[i][j][k] = fill_3
+        return cube
+
+    ###########################################################################
+    # Create multigroup data
+
+    # Instantiate the energy group data
+    ebins = [1e-5, 20.0e6]
+    groups = openmc.mgxs.EnergyGroups(group_edges=ebins)
+
+    void_sigma_a = 4.0e-6
+    void_sigma_s = 3.0e-4
+    void_mat_data = openmc.XSdata('void', groups)
+    void_mat_data.order = 0
+    void_mat_data.set_total([void_sigma_a + void_sigma_s])
+    void_mat_data.set_absorption([void_sigma_a])
+    void_mat_data.set_scatter_matrix(
+        np.rollaxis(np.array([[[void_sigma_s]]]), 0, 3))
+
+    absorber_sigma_a = 0.75
+    absorber_sigma_s = 0.25
+    absorber_mat_data = openmc.XSdata('absorber', groups)
+    absorber_mat_data.order = 0
+    absorber_mat_data.set_total([absorber_sigma_a + absorber_sigma_s])
+    absorber_mat_data.set_absorption([absorber_sigma_a])
+    absorber_mat_data.set_scatter_matrix(
+        np.rollaxis(np.array([[[absorber_sigma_s]]]), 0, 3))
+
+    multiplier = 0.1
+    source_sigma_a = void_sigma_a * multiplier
+    source_sigma_s = void_sigma_s * multiplier
+    source_mat_data = openmc.XSdata('source', groups)
+    source_mat_data.order = 0
+    source_mat_data.set_total([source_sigma_a + source_sigma_s])
+    source_mat_data.set_absorption([source_sigma_a])
+    source_mat_data.set_scatter_matrix(
+        np.rollaxis(np.array([[[source_sigma_s]]]), 0, 3))
+
+    mg_cross_sections_file = openmc.MGXSLibrary(groups)
+    mg_cross_sections_file.add_xsdatas(
+        [source_mat_data, void_mat_data, absorber_mat_data])
+    mg_cross_sections_file.export_to_hdf5()
+
+    ###########################################################################
+    # Create materials for the problem
+
+    # Instantiate some Macroscopic Data
+    source_data = openmc.Macroscopic('source')
+    void_data = openmc.Macroscopic('void')
+    absorber_data = openmc.Macroscopic('absorber')
+
+    # Instantiate some Materials and register the appropriate Macroscopic objects
+    source_mat = openmc.Material(name='source')
+    source_mat.set_density('macro', 1.0)
+    source_mat.add_macroscopic(source_data)
+
+    void_mat = openmc.Material(name='void')
+    void_mat.set_density('macro', 1.0)
+    void_mat.add_macroscopic(void_data)
+
+    absorber_mat = openmc.Material(name='absorber')
+    absorber_mat.set_density('macro', 1.0)
+    absorber_mat.add_macroscopic(absorber_data)
+
+    # Instantiate a Materials collection and export to XML
+    materials_file = openmc.Materials([source_mat, void_mat, absorber_mat])
+    materials_file.cross_sections = "mgxs.h5"
+
+    ###########################################################################
+    # Define problem geometry
+
+    source_cell = openmc.Cell(fill=source_mat, name='infinite source region')
+    void_cell = openmc.Cell(fill=void_mat, name='infinite void region')
+    absorber_cell = openmc.Cell(
+        fill=absorber_mat, name='infinite absorber region')
+
+    source_universe = openmc.Universe(name='source universe')
+    source_universe.add_cells([source_cell])
+
+    void_universe = openmc.Universe()
+    void_universe.add_cells([void_cell])
+
+    absorber_universe = openmc.Universe()
+    absorber_universe.add_cells([absorber_cell])
+
+    absorber_width = 30.0
+    n_base = 6
+
+    # This variable can be increased above 1 to refine the FSR mesh resolution further
+    refinement_level = 2
+
+    n = n_base * refinement_level
+    pitch = absorber_width / n
+
+    pattern = fill_cube(n, 1*refinement_level, 5*refinement_level,
+                        source_universe, void_universe, absorber_universe)
+
+    lattice = openmc.RectLattice()
+    lattice.lower_left = [0.0, 0.0, 0.0]
+    lattice.pitch = [pitch, pitch, pitch]
+    lattice.universes = pattern
+
+    lattice_cell = openmc.Cell(fill=lattice)
+
+    lattice_uni = openmc.Universe()
+    lattice_uni.add_cells([lattice_cell])
+
+    x_low = openmc.XPlane(x0=0.0, boundary_type='reflective')
+    x_high = openmc.XPlane(x0=absorber_width, boundary_type='vacuum')
+
+    y_low = openmc.YPlane(y0=0.0, boundary_type='reflective')
+    y_high = openmc.YPlane(y0=absorber_width, boundary_type='vacuum')
+
+    z_low = openmc.ZPlane(z0=0.0, boundary_type='reflective')
+    z_high = openmc.ZPlane(z0=absorber_width, boundary_type='vacuum')
+
+    full_domain = openmc.Cell(fill=lattice_uni, region=+x_low & -
+                              x_high & +y_low & -y_high & +z_low & -z_high, name='full domain')
+
+    root = openmc.Universe(name='root universe')
+    root.add_cell(full_domain)
+
+    # Create a geometry with the two cells and export to XML
+    geometry = openmc.Geometry(root)
+
+    ###########################################################################
+    # Define problem settings
+
+    # Instantiate a Settings object, set all runtime parameters, and export to XML
+    settings = openmc.Settings()
+    settings.energy_mode = "multi-group"
+    settings.inactive = 5
+    settings.batches = 10
+    settings.particles = 90
+    settings.run_mode = 'fixed source'
+
+    # Create an initial uniform spatial source for ray integration
+    lower_left_ray = [0.0, 0.0, 0.0]
+    upper_right_ray = [absorber_width, absorber_width, absorber_width]
+    uniform_dist_ray = openmc.stats.Box(
+        lower_left_ray, upper_right_ray, only_fissionable=False)
+    rr_source = openmc.IndependentSource(space=uniform_dist_ray)
+
+    settings.random_ray['distance_active'] = 500.0
+    settings.random_ray['distance_inactive'] = 100.0
+    settings.random_ray['ray_source'] = rr_source
+    settings.random_ray['volume_normalized_flux_tallies'] = True
+
+    # Create the neutron source in the bottom right of the moderator
+    # Good - fast group appears largest (besides most thermal)
+    strengths = [1.0]
+    midpoints = [100.0]
+    energy_distribution = openmc.stats.Discrete(x=midpoints, p=strengths)
+
+    source = openmc.IndependentSource(energy=energy_distribution, constraints={
+                                      'domains': [source_universe]}, strength=3.14)
+
+    settings.source = [source]
+
+    ###########################################################################
+    # Define tallies
+
+    estimator = 'tracklength'
+
+    absorber_filter = openmc.MaterialFilter(absorber_mat)
+    absorber_tally = openmc.Tally(name="Absorber Tally")
+    absorber_tally.filters = [absorber_filter]
+    absorber_tally.scores = ['flux']
+    absorber_tally.estimator = estimator
+
+    void_filter = openmc.MaterialFilter(void_mat)
+    void_tally = openmc.Tally(name="Void Tally")
+    void_tally.filters = [void_filter]
+    void_tally.scores = ['flux']
+    void_tally.estimator = estimator
+
+    source_filter = openmc.MaterialFilter(source_mat)
+    source_tally = openmc.Tally(name="Source Tally")
+    source_tally.filters = [source_filter]
+    source_tally.scores = ['flux']
+    source_tally.estimator = estimator
+
+    # Instantiate a Tallies collection and export to XML
+    tallies = openmc.Tallies([source_tally, void_tally, absorber_tally])
+
+    ###########################################################################
+    # Assmble Model
+
+    model.geometry = geometry
+    model.materials = materials_file
+    model.settings = settings
+    model.tallies = tallies
+
+    return model
diff --git a/tests/regression_tests/random_ray_basic/test.py b/tests/regression_tests/random_ray_basic/test.py
deleted file mode 100644
index c00d25880..000000000
--- a/tests/regression_tests/random_ray_basic/test.py
+++ /dev/null
@@ -1,233 +0,0 @@
-import os
-
-import numpy as np
-import openmc
-
-from tests.testing_harness import TolerantPyAPITestHarness
-
-
-class MGXSTestHarness(TolerantPyAPITestHarness):
-    def _cleanup(self):
-        super()._cleanup()
-        f = 'mgxs.h5'
-        if os.path.exists(f):
-            os.remove(f)
-
-
-def random_ray_model() -> openmc.Model:
-    ###############################################################################
-    # Create multigroup data
-
-    # Instantiate the energy group data
-    group_edges = [1e-5, 0.0635, 10.0, 1.0e2, 1.0e3, 0.5e6, 1.0e6, 20.0e6]
-    groups = openmc.mgxs.EnergyGroups(group_edges)
-
-    # Instantiate the 7-group (C5G7) cross section data
-    uo2_xsdata = openmc.XSdata('UO2', groups)
-    uo2_xsdata.order = 0
-    uo2_xsdata.set_total(
-        [0.1779492, 0.3298048, 0.4803882, 0.5543674, 0.3118013, 0.3951678,
-         0.5644058])
-    uo2_xsdata.set_absorption([8.0248e-03, 3.7174e-03, 2.6769e-02, 9.6236e-02,
-                               3.0020e-02, 1.1126e-01, 2.8278e-01])
-    scatter_matrix = np.array(
-        [[[0.1275370, 0.0423780, 0.0000094, 0.0000000, 0.0000000, 0.0000000, 0.0000000],
-          [0.0000000, 0.3244560, 0.0016314, 0.0000000, 0.0000000, 0.0000000, 0.0000000],
-          [0.0000000, 0.0000000, 0.4509400, 0.0026792, 0.0000000, 0.0000000, 0.0000000],
-          [0.0000000, 0.0000000, 0.0000000, 0.4525650, 0.0055664, 0.0000000, 0.0000000],
-          [0.0000000, 0.0000000, 0.0000000, 0.0001253, 0.2714010, 0.0102550, 0.0000000],
-          [0.0000000, 0.0000000, 0.0000000, 0.0000000, 0.0012968, 0.2658020, 0.0168090],
-          [0.0000000, 0.0000000, 0.0000000, 0.0000000, 0.0000000, 0.0085458, 0.2730800]]])
-    scatter_matrix = np.rollaxis(scatter_matrix, 0, 3)
-    uo2_xsdata.set_scatter_matrix(scatter_matrix)
-    uo2_xsdata.set_fission([7.21206e-03, 8.19301e-04, 6.45320e-03,
-                            1.85648e-02, 1.78084e-02, 8.30348e-02,
-                            2.16004e-01])
-    uo2_xsdata.set_nu_fission([2.005998e-02, 2.027303e-03, 1.570599e-02,
-                               4.518301e-02, 4.334208e-02, 2.020901e-01,
-                               5.257105e-01])
-    uo2_xsdata.set_chi([5.8791e-01, 4.1176e-01, 3.3906e-04, 1.1761e-07, 0.0000e+00,
-                        0.0000e+00, 0.0000e+00])
-
-    h2o_xsdata = openmc.XSdata('LWTR', groups)
-    h2o_xsdata.order = 0
-    h2o_xsdata.set_total([0.15920605, 0.412969593, 0.59030986, 0.58435,
-                          0.718, 1.2544497, 2.650379])
-    h2o_xsdata.set_absorption([6.0105e-04, 1.5793e-05, 3.3716e-04,
-                               1.9406e-03, 5.7416e-03, 1.5001e-02,
-                               3.7239e-02])
-    scatter_matrix = np.array(
-        [[[0.0444777, 0.1134000, 0.0007235, 0.0000037, 0.0000001, 0.0000000, 0.0000000],
-          [0.0000000, 0.2823340, 0.1299400, 0.0006234, 0.0000480, 0.0000074, 0.0000010],
-          [0.0000000, 0.0000000, 0.3452560, 0.2245700, 0.0169990, 0.0026443, 0.0005034],
-          [0.0000000, 0.0000000, 0.0000000, 0.0910284, 0.4155100, 0.0637320, 0.0121390],
-          [0.0000000, 0.0000000, 0.0000000, 0.0000714, 0.1391380, 0.5118200, 0.0612290],
-          [0.0000000, 0.0000000, 0.0000000, 0.0000000, 0.0022157, 0.6999130, 0.5373200],
-          [0.0000000, 0.0000000, 0.0000000, 0.0000000, 0.0000000, 0.1324400, 2.4807000]]])
-    scatter_matrix = np.rollaxis(scatter_matrix, 0, 3)
-    h2o_xsdata.set_scatter_matrix(scatter_matrix)
-
-    mg_cross_sections = openmc.MGXSLibrary(groups)
-    mg_cross_sections.add_xsdatas([uo2_xsdata, h2o_xsdata])
-    mg_cross_sections.export_to_hdf5()
-
-    ###############################################################################
-    # Create materials for the problem
-
-    # Instantiate some Materials and register the appropriate macroscopic data
-    uo2 = openmc.Material(name='UO2 fuel')
-    uo2.set_density('macro', 1.0)
-    uo2.add_macroscopic('UO2')
-
-    water = openmc.Material(name='Water')
-    water.set_density('macro', 1.0)
-    water.add_macroscopic('LWTR')
-
-    # Instantiate a Materials collection and export to XML
-    materials = openmc.Materials([uo2, water])
-    materials.cross_sections = "mgxs.h5"
-
-    ###############################################################################
-    # Define problem geometry
-
-    ########################################
-    # Define an unbounded pincell universe
-
-    pitch = 1.26
-
-    # Create a surface for the fuel outer radius
-    fuel_or = openmc.ZCylinder(r=0.54, name='Fuel OR')
-    inner_ring_a = openmc.ZCylinder(r=0.33, name='inner ring a')
-    inner_ring_b = openmc.ZCylinder(r=0.45, name='inner ring b')
-    outer_ring_a = openmc.ZCylinder(r=0.60, name='outer ring a')
-    outer_ring_b = openmc.ZCylinder(r=0.69, name='outer ring b')
-
-    # Instantiate Cells
-    fuel_a = openmc.Cell(fill=uo2, region=-inner_ring_a, name='fuel inner a')
-    fuel_b = openmc.Cell(fill=uo2, region=+inner_ring_a & -inner_ring_b, name='fuel inner b')
-    fuel_c = openmc.Cell(fill=uo2, region=+inner_ring_b & -fuel_or, name='fuel inner c')
-    moderator_a = openmc.Cell(fill=water, region=+fuel_or & -outer_ring_a, name='moderator inner a')
-    moderator_b = openmc.Cell(fill=water, region=+outer_ring_a & -outer_ring_b, name='moderator outer b')
-    moderator_c = openmc.Cell(fill=water, region=+outer_ring_b, name='moderator outer c')
-
-    # Create pincell universe
-    pincell_base = openmc.Universe()
-
-    # Register Cells with Universe
-    pincell_base.add_cells([fuel_a, fuel_b, fuel_c, moderator_a, moderator_b, moderator_c])
-
-    # Create planes for azimuthal sectors
-    azimuthal_planes = []
-    for i in range(8):
-        angle = 2 * i * openmc.pi / 8
-        normal_vector = (-openmc.sin(angle), openmc.cos(angle), 0)
-        azimuthal_planes.append(openmc.Plane(a=normal_vector[0], b=normal_vector[1], c=normal_vector[2], d=0))
-
-    # Create a cell for each azimuthal sector
-    azimuthal_cells = []
-    for i in range(8):
-        azimuthal_cell = openmc.Cell(name=f'azimuthal_cell_{i}')
-        azimuthal_cell.fill = pincell_base
-        azimuthal_cell.region = +azimuthal_planes[i] & -azimuthal_planes[(i+1) % 8]
-        azimuthal_cells.append(azimuthal_cell)
-
-    # Create a geometry with the azimuthal universes
-    pincell = openmc.Universe(cells=azimuthal_cells)
-
-    ########################################
-    # Define a moderator lattice universe
-
-    moderator_infinite = openmc.Cell(fill=water, name='moderator infinite')
-    mu = openmc.Universe()
-    mu.add_cells([moderator_infinite])
-
-    lattice = openmc.RectLattice()
-    lattice.lower_left = [-pitch/2.0, -pitch/2.0]
-    lattice.pitch = [pitch/10.0, pitch/10.0]
-    lattice.universes = np.full((10, 10), mu)
-
-    mod_lattice_cell = openmc.Cell(fill=lattice)
-
-    mod_lattice_uni = openmc.Universe()
-
-    mod_lattice_uni.add_cells([mod_lattice_cell])
-
-    ########################################
-    # Define 2x2 outer lattice
-    lattice2x2 = openmc.RectLattice()
-    lattice2x2.lower_left = (-pitch, -pitch)
-    lattice2x2.pitch = (pitch, pitch)
-    lattice2x2.universes = [
-        [pincell, pincell],
-        [pincell, mod_lattice_uni]
-    ]
-
-    ########################################
-    # Define cell containing lattice and other stuff
-    box = openmc.model.RectangularPrism(pitch*2, pitch*2, boundary_type='reflective')
-
-    assembly = openmc.Cell(fill=lattice2x2, region=-box, name='assembly')
-
-    # Create a geometry with the top-level cell
-    geometry = openmc.Geometry([assembly])
-
-    ###############################################################################
-    # Define problem settings
-
-    # Instantiate a Settings object, set all runtime parameters, and export to XML
-    settings = openmc.Settings()
-    settings.energy_mode = "multi-group"
-    settings.batches = 10
-    settings.inactive = 5
-    settings.particles = 100
-
-    # Create an initial uniform spatial source distribution over fissionable zones
-    lower_left = (-pitch, -pitch, -1)
-    upper_right = (pitch, pitch, 1)
-    uniform_dist = openmc.stats.Box(lower_left, upper_right)
-    rr_source = openmc.IndependentSource(space=uniform_dist)
-
-    settings.random_ray['distance_active'] = 100.0
-    settings.random_ray['distance_inactive'] = 20.0
-    settings.random_ray['ray_source'] = rr_source
-    settings.random_ray['volume_normalized_flux_tallies'] = True
-
-    ###############################################################################
-    # Define tallies
-
-    # Create a mesh that will be used for tallying
-    mesh = openmc.RegularMesh()
-    mesh.dimension = (2, 2)
-    mesh.lower_left = (-pitch, -pitch)
-    mesh.upper_right = (pitch, pitch)
-
-    # Create a mesh filter that can be used in a tally
-    mesh_filter = openmc.MeshFilter(mesh)
-
-    # Create an energy group filter as well
-    energy_filter = openmc.EnergyFilter(group_edges)
-
-    # Now use the mesh filter in a tally and indicate what scores are desired
-    tally = openmc.Tally(name="Mesh tally")
-    tally.filters = [mesh_filter, energy_filter]
-    tally.scores = ['flux', 'fission', 'nu-fission']
-    tally.estimator = 'analog'
-
-    # Instantiate a Tallies collection and export to XML
-    tallies = openmc.Tallies([tally])
-
-    ###############################################################################
-    #                   Exporting to OpenMC model
-    ###############################################################################
-
-    model = openmc.Model()
-    model.geometry = geometry
-    model.materials = materials
-    model.settings = settings
-    model.tallies = tallies
-    return model
-
-
-def test_random_ray_basic():
-    harness = MGXSTestHarness('statepoint.10.h5', random_ray_model())
-    harness.main()
diff --git a/tests/regression_tests/random_ray_cube/False_hybrid/inputs_true.dat b/tests/regression_tests/random_ray_cube/False_hybrid/inputs_true.dat
deleted file mode 100644
index 82c24291b..000000000
--- a/tests/regression_tests/random_ray_cube/False_hybrid/inputs_true.dat
+++ /dev/null
@@ -1,1018 +0,0 @@
-<?xml version='1.0' encoding='utf-8'?>
-<model>
-  <materials>
-    <cross_sections>mgxs.h5</cross_sections>
-    <material id="1" name="source">
-      <density units="macro" value="1.0"/>
-      <macroscopic name="source"/>
-    </material>
-    <material id="2" name="void">
-      <density units="macro" value="1.0"/>
-      <macroscopic name="void"/>
-    </material>
-    <material id="3" name="absorber">
-      <density units="macro" value="1.0"/>
-      <macroscopic name="absorber"/>
-    </material>
-  </materials>
-  <geometry>
-    <cell id="1" material="1" name="infinite source region" universe="1"/>
-    <cell id="2" material="2" name="infinite void region" universe="2"/>
-    <cell id="3" material="3" name="infinite absorber region" universe="3"/>
-    <cell fill="4" id="4" universe="5"/>
-    <cell fill="5" id="5" name="full domain" region="1 -2 3 -4 5 -6" universe="6"/>
-    <lattice id="4">
-      <pitch>1.0 1.0 1.0</pitch>
-      <dimension>30 30 30</dimension>
-      <lower_left>0.0 0.0 0.0</lower_left>
-      <universes>
-3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
-3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
-3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
-3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
-3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-
-3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
-3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
-3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
-3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
-3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-
-3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
-3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
-3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
-3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
-3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-
-3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
-3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
-3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
-3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
-3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-
-3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
-3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
-3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
-3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
-3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
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-3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
-3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
-3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
-3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
-3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
-
-3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
-3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
-3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
-3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
-3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
-3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
-3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
-3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
-3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
-3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
-3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
-3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
-3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
-3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
-3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
-3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
-3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
-3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
-3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
-3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
-3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
-3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
-3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
-3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
-3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
-3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
-3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
-3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
-3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
-3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 </universes>
-    </lattice>
-    <surface boundary="reflective" coeffs="0.0" id="1" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="30.0" id="2" type="x-plane"/>
-    <surface boundary="reflective" coeffs="0.0" id="3" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="30.0" id="4" type="y-plane"/>
-    <surface boundary="reflective" coeffs="0.0" id="5" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="30.0" id="6" type="z-plane"/>
-  </geometry>
-  <settings>
-    <run_mode>fixed source</run_mode>
-    <particles>90</particles>
-    <batches>10</batches>
-    <inactive>5</inactive>
-    <source particle="neutron" strength="3.14" type="independent">
-      <energy type="discrete">
-        <parameters>100.0 1.0</parameters>
-      </energy>
-      <constraints>
-        <domain_type>universe</domain_type>
-        <domain_ids>1</domain_ids>
-      </constraints>
-    </source>
-    <energy_mode>multi-group</energy_mode>
-    <random_ray>
-      <distance_active>500.0</distance_active>
-      <distance_inactive>100.0</distance_inactive>
-      <source particle="neutron" strength="1.0" type="independent">
-        <space type="box">
-          <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
-        </space>
-      </source>
-      <volume_normalized_flux_tallies>False</volume_normalized_flux_tallies>
-    </random_ray>
-  </settings>
-  <tallies>
-    <filter id="3" type="material">
-      <bins>1</bins>
-    </filter>
-    <filter id="2" type="material">
-      <bins>2</bins>
-    </filter>
-    <filter id="1" type="material">
-      <bins>3</bins>
-    </filter>
-    <tally id="3" name="Source Tally">
-      <filters>3</filters>
-      <scores>flux</scores>
-      <estimator>tracklength</estimator>
-    </tally>
-    <tally id="2" name="Void Tally">
-      <filters>2</filters>
-      <scores>flux</scores>
-      <estimator>tracklength</estimator>
-    </tally>
-    <tally id="1" name="Absorber Tally">
-      <filters>1</filters>
-      <scores>flux</scores>
-      <estimator>tracklength</estimator>
-    </tally>
-  </tallies>
-</model>
diff --git a/tests/regression_tests/random_ray_cube/False_hybrid/results_true.dat b/tests/regression_tests/random_ray_cube/False_hybrid/results_true.dat
deleted file mode 100644
index 88718c5bf..000000000
--- a/tests/regression_tests/random_ray_cube/False_hybrid/results_true.dat
+++ /dev/null
@@ -1,9 +0,0 @@
-tally 1:
--5.920549E+04
-2.321317E+09
-tally 2:
-4.761087E+02
-4.909570E+04
-tally 3:
-2.206028E+01
-1.019164E+02
diff --git a/tests/regression_tests/random_ray_cube/True_hybrid/inputs_true.dat b/tests/regression_tests/random_ray_cube/True_hybrid/inputs_true.dat
deleted file mode 100644
index 464c34404..000000000
--- a/tests/regression_tests/random_ray_cube/True_hybrid/inputs_true.dat
+++ /dev/null
@@ -1,1018 +0,0 @@
-<?xml version='1.0' encoding='utf-8'?>
-<model>
-  <materials>
-    <cross_sections>mgxs.h5</cross_sections>
-    <material id="1" name="source">
-      <density units="macro" value="1.0"/>
-      <macroscopic name="source"/>
-    </material>
-    <material id="2" name="void">
-      <density units="macro" value="1.0"/>
-      <macroscopic name="void"/>
-    </material>
-    <material id="3" name="absorber">
-      <density units="macro" value="1.0"/>
-      <macroscopic name="absorber"/>
-    </material>
-  </materials>
-  <geometry>
-    <cell id="1" material="1" name="infinite source region" universe="1"/>
-    <cell id="2" material="2" name="infinite void region" universe="2"/>
-    <cell id="3" material="3" name="infinite absorber region" universe="3"/>
-    <cell fill="4" id="4" universe="5"/>
-    <cell fill="5" id="5" name="full domain" region="1 -2 3 -4 5 -6" universe="6"/>
-    <lattice id="4">
-      <pitch>1.0 1.0 1.0</pitch>
-      <dimension>30 30 30</dimension>
-      <lower_left>0.0 0.0 0.0</lower_left>
-      <universes>
-3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
-3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
-3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
-3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
-3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
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-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
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-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
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-
-3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
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-3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
-3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
-3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
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-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
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-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
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-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
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-1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-
-3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
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-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
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-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
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-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
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-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
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-
-3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
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-
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-1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
-1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
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-
-3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
-3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
-3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
-3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
-3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
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-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
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-2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 
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-3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
-3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
-3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 
-3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 </universes>
-    </lattice>
-    <surface boundary="reflective" coeffs="0.0" id="1" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="30.0" id="2" type="x-plane"/>
-    <surface boundary="reflective" coeffs="0.0" id="3" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="30.0" id="4" type="y-plane"/>
-    <surface boundary="reflective" coeffs="0.0" id="5" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="30.0" id="6" type="z-plane"/>
-  </geometry>
-  <settings>
-    <run_mode>fixed source</run_mode>
-    <particles>90</particles>
-    <batches>10</batches>
-    <inactive>5</inactive>
-    <source particle="neutron" strength="3.14" type="independent">
-      <energy type="discrete">
-        <parameters>100.0 1.0</parameters>
-      </energy>
-      <constraints>
-        <domain_type>universe</domain_type>
-        <domain_ids>1</domain_ids>
-      </constraints>
-    </source>
-    <energy_mode>multi-group</energy_mode>
-    <random_ray>
-      <distance_active>500.0</distance_active>
-      <distance_inactive>100.0</distance_inactive>
-      <source particle="neutron" strength="1.0" type="independent">
-        <space type="box">
-          <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
-        </space>
-      </source>
-      <volume_normalized_flux_tallies>True</volume_normalized_flux_tallies>
-    </random_ray>
-  </settings>
-  <tallies>
-    <filter id="3" type="material">
-      <bins>1</bins>
-    </filter>
-    <filter id="2" type="material">
-      <bins>2</bins>
-    </filter>
-    <filter id="1" type="material">
-      <bins>3</bins>
-    </filter>
-    <tally id="3" name="Source Tally">
-      <filters>3</filters>
-      <scores>flux</scores>
-      <estimator>tracklength</estimator>
-    </tally>
-    <tally id="2" name="Void Tally">
-      <filters>2</filters>
-      <scores>flux</scores>
-      <estimator>tracklength</estimator>
-    </tally>
-    <tally id="1" name="Absorber Tally">
-      <filters>1</filters>
-      <scores>flux</scores>
-      <estimator>tracklength</estimator>
-    </tally>
-  </tallies>
-</model>
diff --git a/tests/regression_tests/random_ray_cube/True_hybrid/results_true.dat b/tests/regression_tests/random_ray_cube/True_hybrid/results_true.dat
deleted file mode 100644
index 4a2996740..000000000
--- a/tests/regression_tests/random_ray_cube/True_hybrid/results_true.dat
+++ /dev/null
@@ -1,9 +0,0 @@
-tally 1:
--5.230164E+02
-1.818988E+05
-tally 2:
-3.067508E-02
-2.037701E-04
-tally 3:
-1.941220E-03
-7.892297E-07
diff --git a/tests/regression_tests/random_ray_cube/test.py b/tests/regression_tests/random_ray_cube/test.py
deleted file mode 100644
index 51d61ae79..000000000
--- a/tests/regression_tests/random_ray_cube/test.py
+++ /dev/null
@@ -1,231 +0,0 @@
-import os
-
-import numpy as np
-import openmc
-from openmc.utility_funcs import change_directory
-import pytest
-
-from tests.testing_harness import TolerantPyAPITestHarness
-
-# Creates a 3 region cube with different fills in each region
-def fill_cube(N, n_1, n_2, fill_1, fill_2, fill_3):
-    cube = [[[0 for _ in range(N)] for _ in range(N)] for _ in range(N)]
-    for i in range(N):
-        for j in range(N):
-            for k in range(N):
-                if i < n_1 and j >= (N-n_1) and k < n_1:
-                    cube[i][j][k] = fill_1
-                elif i < n_2 and j >= (N-n_2) and k < n_2:
-                    cube[i][j][k] = fill_2
-                else:
-                    cube[i][j][k] = fill_3
-    return cube
-
-class MGXSTestHarness(TolerantPyAPITestHarness):
-    def _cleanup(self):
-        super()._cleanup()
-        f = 'mgxs.h5'
-        if os.path.exists(f):
-            os.remove(f)
-
-def create_random_ray_model(volume_normalize, estimator):
-    openmc.reset_auto_ids()
-    ###############################################################################
-    # Create multigroup data
-
-    # Instantiate the energy group data
-    ebins = [1e-5, 20.0e6]
-    groups = openmc.mgxs.EnergyGroups(group_edges=ebins)
-
-    void_sigma_a = 4.0e-6
-    void_sigma_s = 3.0e-4
-    void_mat_data = openmc.XSdata('void', groups)
-    void_mat_data.order = 0
-    void_mat_data.set_total([void_sigma_a + void_sigma_s])
-    void_mat_data.set_absorption([void_sigma_a])
-    void_mat_data.set_scatter_matrix(np.rollaxis(np.array([[[void_sigma_s]]]),0,3))
-
-    absorber_sigma_a = 0.75
-    absorber_sigma_s = 0.25
-    absorber_mat_data = openmc.XSdata('absorber', groups)
-    absorber_mat_data.order = 0
-    absorber_mat_data.set_total([absorber_sigma_a + absorber_sigma_s])
-    absorber_mat_data.set_absorption([absorber_sigma_a])
-    absorber_mat_data.set_scatter_matrix(np.rollaxis(np.array([[[absorber_sigma_s]]]),0,3))
-
-    multiplier = 0.1
-    source_sigma_a = void_sigma_a * multiplier
-    source_sigma_s = void_sigma_s * multiplier
-    source_mat_data = openmc.XSdata('source', groups)
-    source_mat_data.order = 0
-    print(source_sigma_a + source_sigma_s)
-    source_mat_data.set_total([source_sigma_a + source_sigma_s])
-    source_mat_data.set_absorption([source_sigma_a])
-    source_mat_data.set_scatter_matrix(np.rollaxis(np.array([[[source_sigma_s]]]),0,3))
-
-    mg_cross_sections_file = openmc.MGXSLibrary(groups)
-    mg_cross_sections_file.add_xsdatas([source_mat_data, void_mat_data, absorber_mat_data])
-    mg_cross_sections_file.export_to_hdf5()
-
-    ###############################################################################
-    # Create materials for the problem
-
-    # Instantiate some Macroscopic Data
-    source_data = openmc.Macroscopic('source')
-    void_data   = openmc.Macroscopic('void')
-    absorber_data = openmc.Macroscopic('absorber')
-
-    # Instantiate some Materials and register the appropriate Macroscopic objects
-    source_mat = openmc.Material(name='source')
-    source_mat.set_density('macro', 1.0)
-    source_mat.add_macroscopic(source_data)
-
-    void_mat = openmc.Material(name='void')
-    void_mat.set_density('macro', 1.0)
-    void_mat.add_macroscopic(void_data)
-
-    absorber_mat = openmc.Material(name='absorber')
-    absorber_mat.set_density('macro', 1.0)
-    absorber_mat.add_macroscopic(absorber_data)
-
-    # Instantiate a Materials collection and export to XML
-    materials_file = openmc.Materials([source_mat, void_mat, absorber_mat])
-    materials_file.cross_sections = "mgxs.h5"
-
-    ###############################################################################
-    # Define problem geometry
-
-    source_cell = openmc.Cell(fill=source_mat, name='infinite source region')
-    void_cell = openmc.Cell(fill=void_mat, name='infinite void region')
-    absorber_cell = openmc.Cell(fill=absorber_mat, name='infinite absorber region')
-
-    source_universe = openmc.Universe()
-    source_universe.add_cells([source_cell])
-
-    void_universe = openmc.Universe()
-    void_universe.add_cells([void_cell])
-
-    absorber_universe = openmc.Universe()
-    absorber_universe.add_cells([absorber_cell])
-
-    absorber_width = 30.0
-    n_base = 6
-
-    # This variable can be increased above 1 to refine the FSR mesh resolution further
-    refinement_level = 5
-
-    n = n_base * refinement_level
-    pitch = absorber_width / n
-
-    pattern = fill_cube(n, 1*refinement_level, 5*refinement_level, source_universe, void_universe, absorber_universe)
-
-    lattice = openmc.RectLattice()
-    lattice.lower_left = [0.0, 0.0, 0.0]
-    lattice.pitch = [pitch, pitch, pitch]
-    lattice.universes = pattern
-    #print(lattice)
-
-    lattice_cell = openmc.Cell(fill=lattice)
-
-    lattice_uni = openmc.Universe()
-    lattice_uni.add_cells([lattice_cell])
-
-    x_low  = openmc.XPlane(x0=0.0,boundary_type='reflective') 
-    x_high = openmc.XPlane(x0=absorber_width,boundary_type='vacuum') 
-
-    y_low  = openmc.YPlane(y0=0.0,boundary_type='reflective') 
-    y_high = openmc.YPlane(y0=absorber_width,boundary_type='vacuum') 
-
-    z_low  = openmc.ZPlane(z0=0.0,boundary_type='reflective') 
-    z_high = openmc.ZPlane(z0=absorber_width,boundary_type='vacuum') 
-
-    full_domain = openmc.Cell(fill=lattice_uni, region=+x_low & -x_high & +y_low & -y_high & +z_low & -z_high, name='full domain')
-
-    root = openmc.Universe(name='root universe')
-    root.add_cell(full_domain)
-
-    # Create a geometry with the two cells and export to XML
-    geometry = openmc.Geometry(root)
-
-    ###############################################################################
-    # Define problem settings
-
-    # Instantiate a Settings object, set all runtime parameters, and export to XML
-    settings = openmc.Settings()
-    settings.energy_mode = "multi-group"
-    settings.inactive = 5
-    settings.batches = 10
-    settings.particles = 90
-    settings.run_mode = 'fixed source'
-
-    # Create an initial uniform spatial source for ray integration
-    lower_left_ray = [0.0, 0.0, 0.0]
-    upper_right_ray = [absorber_width, absorber_width, absorber_width]
-    uniform_dist_ray = openmc.stats.Box(lower_left_ray, upper_right_ray, only_fissionable=False)
-    rr_source = openmc.IndependentSource(space=uniform_dist_ray)
-
-    settings.random_ray['distance_active'] = 500.0
-    settings.random_ray['distance_inactive'] = 100.0
-    settings.random_ray['ray_source'] = rr_source
-    settings.random_ray['volume_normalized_flux_tallies'] = volume_normalize
-
-    #settings.random_ray['volume_estimator'] = estimator
-
-    # Create the neutron source in the bottom right of the moderator
-    strengths = [1.0] # Good - fast group appears largest (besides most thermal)
-    midpoints = [100.0]
-    energy_distribution = openmc.stats.Discrete(x=midpoints,p=strengths)
-
-    source = openmc.IndependentSource(energy=energy_distribution, constraints={'domains':[source_universe]}, strength=3.14)
-
-    settings.source = [source]
-
-    ###############################################################################
-    # Define tallies
-
-    estimator = 'tracklength'
-
-    absorber_filter = openmc.MaterialFilter(absorber_mat)
-    absorber_tally = openmc.Tally(name="Absorber Tally")
-    absorber_tally.filters = [absorber_filter]
-    absorber_tally.scores = ['flux']
-    absorber_tally.estimator = estimator
-
-    void_filter = openmc.MaterialFilter(void_mat)
-    void_tally = openmc.Tally(name="Void Tally")
-    void_tally.filters = [void_filter]
-    void_tally.scores = ['flux']
-    void_tally.estimator = estimator
-
-    source_filter = openmc.MaterialFilter(source_mat)
-    source_tally = openmc.Tally(name="Source Tally")
-    source_tally.filters = [source_filter]
-    source_tally.scores = ['flux']
-    source_tally.estimator = estimator
-
-    # Instantiate a Tallies collection and export to XML
-    tallies = openmc.Tallies([source_tally, void_tally, absorber_tally])
-
-    ###############################################################################
-    # Assmble Model
-
-    model = openmc.model.Model()
-    model.geometry = geometry
-    model.materials = materials_file
-    model.settings = settings
-    model.xs_data = mg_cross_sections_file
-    model.tallies = tallies
-
-    return model
-
-@pytest.mark.parametrize("volume_normalize, estimator", [
-    (False, "hybrid"),
-    (True, "hybrid")
-])
-def test_random_ray_cube(volume_normalize, estimator):
-    # Generating a unique directory name from the parameters
-    directory_name = f"{volume_normalize}_{estimator}"
-    with change_directory(directory_name):
-        model = create_random_ray_model(volume_normalize, estimator)
-        harness = MGXSTestHarness('statepoint.10.h5', model)
-        harness.main()
\ No newline at end of file
diff --git a/tests/regression_tests/random_ray_fixed_source/cell/inputs_true.dat b/tests/regression_tests/random_ray_fixed_source/cell/inputs_true.dat
deleted file mode 100644
index a8eaa0096..000000000
--- a/tests/regression_tests/random_ray_fixed_source/cell/inputs_true.dat
+++ /dev/null
@@ -1,205 +0,0 @@
-<?xml version='1.0' encoding='utf-8'?>
-<model>
-  <materials>
-    <cross_sections>mgxs.h5</cross_sections>
-    <material id="1" name="source">
-      <density units="macro" value="1.0"/>
-      <macroscopic name="source"/>
-    </material>
-    <material id="2" name="void">
-      <density units="macro" value="1.0"/>
-      <macroscopic name="void"/>
-    </material>
-    <material id="3" name="shield">
-      <density units="macro" value="1.0"/>
-      <macroscopic name="shield"/>
-    </material>
-  </materials>
-  <geometry>
-    <cell id="1" material="1" name="infinite source region" universe="1"/>
-    <cell id="2" material="2" name="infinite void region" universe="2"/>
-    <cell id="3" material="3" name="infinite shield region" universe="3"/>
-    <cell fill="4" id="4" name="source lattice cell" universe="7"/>
-    <cell fill="5" id="5" name="void lattice cell" universe="8"/>
-    <cell fill="6" id="6" name="shield lattice cell" universe="9"/>
-    <cell fill="10" id="7" name="dogleg lattice cell" universe="11"/>
-    <cell fill="11" id="8" name="full domain" region="1 -2 3 -4 5 -6" universe="12"/>
-    <lattice id="4">
-      <pitch>5.0 5.0 5.0</pitch>
-      <dimension>2 2 2</dimension>
-      <lower_left>-5.0 -5.0 -5.0</lower_left>
-      <universes>
-1 1 
-1 1 
-
-1 1 
-1 1 </universes>
-    </lattice>
-    <lattice id="5">
-      <pitch>5.0 5.0 5.0</pitch>
-      <dimension>2 2 2</dimension>
-      <lower_left>-5.0 -5.0 -5.0</lower_left>
-      <universes>
-2 2 
-2 2 
-
-2 2 
-2 2 </universes>
-    </lattice>
-    <lattice id="6">
-      <pitch>5.0 5.0 5.0</pitch>
-      <dimension>2 2 2</dimension>
-      <lower_left>-5.0 -5.0 -5.0</lower_left>
-      <universes>
-3 3 
-3 3 
-
-3 3 
-3 3 </universes>
-    </lattice>
-    <lattice id="10">
-      <pitch>10.0 10.0 10.0</pitch>
-      <dimension>6 10 6</dimension>
-      <lower_left>0.0 0.0 0.0</lower_left>
-      <universes>
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-8 8 8 8 9 9 
-8 9 9 9 9 9 
-8 9 9 9 9 9 
-8 9 9 9 9 9 
-8 9 9 9 9 9 
-7 9 9 9 9 9 
-
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 8 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 8 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-
-9 9 9 8 9 9 
-9 9 9 8 9 9 
-9 9 9 8 9 9 
-9 9 9 8 9 9 
-9 9 9 8 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 </universes>
-    </lattice>
-    <surface boundary="reflective" coeffs="0.0" id="1" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="60.0" id="2" type="x-plane"/>
-    <surface boundary="reflective" coeffs="0.0" id="3" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="100.0" id="4" type="y-plane"/>
-    <surface boundary="reflective" coeffs="0.0" id="5" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="60.0" id="6" type="z-plane"/>
-  </geometry>
-  <settings>
-    <run_mode>fixed source</run_mode>
-    <particles>1000</particles>
-    <batches>10</batches>
-    <inactive>5</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
-      <energy type="discrete">
-        <parameters>100.0 1.0</parameters>
-      </energy>
-      <constraints>
-        <domain_type>cell</domain_type>
-        <domain_ids>4</domain_ids>
-      </constraints>
-    </source>
-    <energy_mode>multi-group</energy_mode>
-    <random_ray>
-      <distance_active>400.0</distance_active>
-      <distance_inactive>100.0</distance_inactive>
-      <volume_normalized_flux_tallies>False</volume_normalized_flux_tallies>
-      <source particle="neutron" strength="1.0" type="independent">
-        <space type="box">
-          <parameters>0.0 0.0 0.0 60.0 100.0 60.0</parameters>
-        </space>
-      </source>
-    </random_ray>
-  </settings>
-  <tallies>
-    <mesh id="1">
-      <dimension>1 10 1</dimension>
-      <lower_left>0.0 0.0 0.0</lower_left>
-      <upper_right>10.0 100.0 10.0</upper_right>
-    </mesh>
-    <mesh id="2">
-      <dimension>6 1 1</dimension>
-      <lower_left>0.0 50.0 0.0</lower_left>
-      <upper_right>60.0 60.0 10.0</upper_right>
-    </mesh>
-    <mesh id="3">
-      <dimension>6 1 1</dimension>
-      <lower_left>0.0 90.0 30.0</lower_left>
-      <upper_right>60.0 100.0 40.0</upper_right>
-    </mesh>
-    <filter id="1" type="mesh">
-      <bins>1</bins>
-    </filter>
-    <filter id="2" type="mesh">
-      <bins>2</bins>
-    </filter>
-    <filter id="3" type="mesh">
-      <bins>3</bins>
-    </filter>
-    <tally id="1" name="Case 3A">
-      <filters>1</filters>
-      <scores>flux</scores>
-      <estimator>analog</estimator>
-    </tally>
-    <tally id="2" name="Case 3B">
-      <filters>2</filters>
-      <scores>flux</scores>
-      <estimator>analog</estimator>
-    </tally>
-    <tally id="3" name="Case 3C">
-      <filters>3</filters>
-      <scores>flux</scores>
-      <estimator>analog</estimator>
-    </tally>
-  </tallies>
-</model>
diff --git a/tests/regression_tests/random_ray_fixed_source/cell/results_true.dat b/tests/regression_tests/random_ray_fixed_source/cell/results_true.dat
deleted file mode 100644
index ba1254d38..000000000
--- a/tests/regression_tests/random_ray_fixed_source/cell/results_true.dat
+++ /dev/null
@@ -1,47 +0,0 @@
-tally 1:
-3.751047E+01
-2.841797E+02
-1.000671E+01
-2.020214E+01
-3.979569E+00
-3.330838E+00
-2.552971E+00
-1.407542E+00
-1.736764E+00
-7.948004E-01
-1.178834E+00
-4.328006E-01
-6.953895E-01
-1.408391E-01
-2.389347E-01
-1.617450E-02
-8.128516E-02
-1.903860E-03
-2.764062E-02
-2.285458E-04
-tally 2:
-1.178834E+00
-4.328006E-01
-3.982124E-01
-4.138078E-02
-9.676374E-02
-1.919297E-03
-3.944531E-02
-3.133733E-04
-1.554518E-02
-5.084822E-05
-4.815079E-03
-4.681450E-06
-tally 3:
-1.635823E-03
-6.482611E-07
-1.248235E-03
-3.227247E-07
-1.248195E-03
-3.488233E-07
-1.030935E-03
-2.206418E-07
-5.670315E-04
-6.648507E-08
-2.393638E-04
-1.242517E-08
diff --git a/tests/regression_tests/random_ray_fixed_source/material/inputs_true.dat b/tests/regression_tests/random_ray_fixed_source/material/inputs_true.dat
deleted file mode 100644
index e3ad3703b..000000000
--- a/tests/regression_tests/random_ray_fixed_source/material/inputs_true.dat
+++ /dev/null
@@ -1,205 +0,0 @@
-<?xml version='1.0' encoding='utf-8'?>
-<model>
-  <materials>
-    <cross_sections>mgxs.h5</cross_sections>
-    <material id="1" name="source">
-      <density units="macro" value="1.0"/>
-      <macroscopic name="source"/>
-    </material>
-    <material id="2" name="void">
-      <density units="macro" value="1.0"/>
-      <macroscopic name="void"/>
-    </material>
-    <material id="3" name="shield">
-      <density units="macro" value="1.0"/>
-      <macroscopic name="shield"/>
-    </material>
-  </materials>
-  <geometry>
-    <cell id="1" material="1" name="infinite source region" universe="1"/>
-    <cell id="2" material="2" name="infinite void region" universe="2"/>
-    <cell id="3" material="3" name="infinite shield region" universe="3"/>
-    <cell fill="4" id="4" name="source lattice cell" universe="7"/>
-    <cell fill="5" id="5" name="void lattice cell" universe="8"/>
-    <cell fill="6" id="6" name="shield lattice cell" universe="9"/>
-    <cell fill="10" id="7" name="dogleg lattice cell" universe="11"/>
-    <cell fill="11" id="8" name="full domain" region="1 -2 3 -4 5 -6" universe="12"/>
-    <lattice id="4">
-      <pitch>5.0 5.0 5.0</pitch>
-      <dimension>2 2 2</dimension>
-      <lower_left>-5.0 -5.0 -5.0</lower_left>
-      <universes>
-1 1 
-1 1 
-
-1 1 
-1 1 </universes>
-    </lattice>
-    <lattice id="5">
-      <pitch>5.0 5.0 5.0</pitch>
-      <dimension>2 2 2</dimension>
-      <lower_left>-5.0 -5.0 -5.0</lower_left>
-      <universes>
-2 2 
-2 2 
-
-2 2 
-2 2 </universes>
-    </lattice>
-    <lattice id="6">
-      <pitch>5.0 5.0 5.0</pitch>
-      <dimension>2 2 2</dimension>
-      <lower_left>-5.0 -5.0 -5.0</lower_left>
-      <universes>
-3 3 
-3 3 
-
-3 3 
-3 3 </universes>
-    </lattice>
-    <lattice id="10">
-      <pitch>10.0 10.0 10.0</pitch>
-      <dimension>6 10 6</dimension>
-      <lower_left>0.0 0.0 0.0</lower_left>
-      <universes>
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-8 8 8 8 9 9 
-8 9 9 9 9 9 
-8 9 9 9 9 9 
-8 9 9 9 9 9 
-8 9 9 9 9 9 
-7 9 9 9 9 9 
-
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 8 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 8 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-
-9 9 9 8 9 9 
-9 9 9 8 9 9 
-9 9 9 8 9 9 
-9 9 9 8 9 9 
-9 9 9 8 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 </universes>
-    </lattice>
-    <surface boundary="reflective" coeffs="0.0" id="1" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="60.0" id="2" type="x-plane"/>
-    <surface boundary="reflective" coeffs="0.0" id="3" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="100.0" id="4" type="y-plane"/>
-    <surface boundary="reflective" coeffs="0.0" id="5" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="60.0" id="6" type="z-plane"/>
-  </geometry>
-  <settings>
-    <run_mode>fixed source</run_mode>
-    <particles>1000</particles>
-    <batches>10</batches>
-    <inactive>5</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
-      <energy type="discrete">
-        <parameters>100.0 1.0</parameters>
-      </energy>
-      <constraints>
-        <domain_type>material</domain_type>
-        <domain_ids>1</domain_ids>
-      </constraints>
-    </source>
-    <energy_mode>multi-group</energy_mode>
-    <random_ray>
-      <distance_active>400.0</distance_active>
-      <distance_inactive>100.0</distance_inactive>
-      <volume_normalized_flux_tallies>False</volume_normalized_flux_tallies>
-      <source particle="neutron" strength="1.0" type="independent">
-        <space type="box">
-          <parameters>0.0 0.0 0.0 60.0 100.0 60.0</parameters>
-        </space>
-      </source>
-    </random_ray>
-  </settings>
-  <tallies>
-    <mesh id="1">
-      <dimension>1 10 1</dimension>
-      <lower_left>0.0 0.0 0.0</lower_left>
-      <upper_right>10.0 100.0 10.0</upper_right>
-    </mesh>
-    <mesh id="2">
-      <dimension>6 1 1</dimension>
-      <lower_left>0.0 50.0 0.0</lower_left>
-      <upper_right>60.0 60.0 10.0</upper_right>
-    </mesh>
-    <mesh id="3">
-      <dimension>6 1 1</dimension>
-      <lower_left>0.0 90.0 30.0</lower_left>
-      <upper_right>60.0 100.0 40.0</upper_right>
-    </mesh>
-    <filter id="1" type="mesh">
-      <bins>1</bins>
-    </filter>
-    <filter id="2" type="mesh">
-      <bins>2</bins>
-    </filter>
-    <filter id="3" type="mesh">
-      <bins>3</bins>
-    </filter>
-    <tally id="1" name="Case 3A">
-      <filters>1</filters>
-      <scores>flux</scores>
-      <estimator>analog</estimator>
-    </tally>
-    <tally id="2" name="Case 3B">
-      <filters>2</filters>
-      <scores>flux</scores>
-      <estimator>analog</estimator>
-    </tally>
-    <tally id="3" name="Case 3C">
-      <filters>3</filters>
-      <scores>flux</scores>
-      <estimator>analog</estimator>
-    </tally>
-  </tallies>
-</model>
diff --git a/tests/regression_tests/random_ray_fixed_source/material/results_true.dat b/tests/regression_tests/random_ray_fixed_source/material/results_true.dat
deleted file mode 100644
index ba1254d38..000000000
--- a/tests/regression_tests/random_ray_fixed_source/material/results_true.dat
+++ /dev/null
@@ -1,47 +0,0 @@
-tally 1:
-3.751047E+01
-2.841797E+02
-1.000671E+01
-2.020214E+01
-3.979569E+00
-3.330838E+00
-2.552971E+00
-1.407542E+00
-1.736764E+00
-7.948004E-01
-1.178834E+00
-4.328006E-01
-6.953895E-01
-1.408391E-01
-2.389347E-01
-1.617450E-02
-8.128516E-02
-1.903860E-03
-2.764062E-02
-2.285458E-04
-tally 2:
-1.178834E+00
-4.328006E-01
-3.982124E-01
-4.138078E-02
-9.676374E-02
-1.919297E-03
-3.944531E-02
-3.133733E-04
-1.554518E-02
-5.084822E-05
-4.815079E-03
-4.681450E-06
-tally 3:
-1.635823E-03
-6.482611E-07
-1.248235E-03
-3.227247E-07
-1.248195E-03
-3.488233E-07
-1.030935E-03
-2.206418E-07
-5.670315E-04
-6.648507E-08
-2.393638E-04
-1.242517E-08
diff --git a/tests/regression_tests/random_ray_fixed_source/test.py b/tests/regression_tests/random_ray_fixed_source/test.py
deleted file mode 100644
index 7ceadca5b..000000000
--- a/tests/regression_tests/random_ray_fixed_source/test.py
+++ /dev/null
@@ -1,340 +0,0 @@
-import os
-
-import numpy as np
-import openmc
-from openmc.utility_funcs import change_directory
-import pytest
-
-from tests.testing_harness import TolerantPyAPITestHarness
-
-def fill_3d_list(n, val):
-    """
-    Generates a 3D list of dimensions nxnxn filled with copies of val.
-
-    Parameters:
-    n (int): The dimension of the 3D list.
-    val (any): The value to fill the 3D list with.
-
-    Returns:
-    list: A 3D list of dimensions nxnxn filled with val.
-    """
-    return [[[val for _ in range(n)] for _ in range(n)] for _ in range(n)]
-
-
-class MGXSTestHarness(TolerantPyAPITestHarness):
-    def _cleanup(self):
-        super()._cleanup()
-        f = 'mgxs.h5'
-        if os.path.exists(f):
-            os.remove(f)
-
-def create_random_ray_model(domain_type):
-    openmc.reset_auto_ids()
-    ###############################################################################
-    # Create multigroup data
-
-    # Instantiate the energy group data
-    ebins = [1e-5, 20.0e6]
-    groups = openmc.mgxs.EnergyGroups(group_edges=ebins)
-
-    # High scattering ratio means system is all scattering
-    # Low means fully absorbing
-    scattering_ratio = 0.5
-
-    source_total_xs = 0.1
-    source_mat_data = openmc.XSdata('source', groups)
-    source_mat_data.order = 0
-    source_mat_data.set_total([source_total_xs])
-    source_mat_data.set_absorption([source_total_xs * (1.0 - scattering_ratio)])
-    source_mat_data.set_scatter_matrix(np.rollaxis(np.array([[[source_total_xs * scattering_ratio]]]),0,3))
-
-    void_total_xs = 1.0e-4
-    void_mat_data = openmc.XSdata('void', groups)
-    void_mat_data.order = 0
-    void_mat_data.set_total([void_total_xs])
-    void_mat_data.set_absorption([void_total_xs * (1.0 - scattering_ratio)])
-    void_mat_data.set_scatter_matrix(np.rollaxis(np.array([[[void_total_xs * scattering_ratio]]]),0,3))
-
-    shield_total_xs = 0.1
-    shield_mat_data = openmc.XSdata('shield', groups)
-    shield_mat_data.order = 0
-    shield_mat_data.set_total([shield_total_xs])
-    shield_mat_data.set_absorption([shield_total_xs * (1.0 - scattering_ratio)])
-    shield_mat_data.set_scatter_matrix(np.rollaxis(np.array([[[shield_total_xs * scattering_ratio]]]),0,3))
-
-    mg_cross_sections_file = openmc.MGXSLibrary(groups)
-    mg_cross_sections_file.add_xsdatas([source_mat_data, void_mat_data, shield_mat_data])
-    mg_cross_sections_file.export_to_hdf5()
-
-    ###############################################################################
-    # Create materials for the problem
-
-    # Instantiate some Macroscopic Data
-    source_data = openmc.Macroscopic('source')
-    void_data   = openmc.Macroscopic('void')
-    shield_data = openmc.Macroscopic('shield')
-
-    # Instantiate some Materials and register the appropriate Macroscopic objects
-    source_mat = openmc.Material(name='source')
-    source_mat.set_density('macro', 1.0)
-    source_mat.add_macroscopic(source_data)
-
-    void_mat = openmc.Material(name='void')
-    void_mat.set_density('macro', 1.0)
-    void_mat.add_macroscopic(void_data)
-
-    shield_mat = openmc.Material(name='shield')
-    shield_mat.set_density('macro', 1.0)
-    shield_mat.add_macroscopic(shield_data)
-
-    # Instantiate a Materials collection and export to XML
-    materials_file = openmc.Materials([source_mat, void_mat, shield_mat])
-    materials_file.cross_sections = "mgxs.h5"
-
-    ###############################################################################
-    # Define problem geometry
-
-    source_cell = openmc.Cell(fill=source_mat, name='infinite source region')
-    void_cell = openmc.Cell(fill=void_mat, name='infinite void region')
-    shield_cell = openmc.Cell(fill=shield_mat, name='infinite shield region')
-
-    sub = openmc.Universe()
-    sub.add_cells([source_cell])
-
-    vub = openmc.Universe()
-    vub.add_cells([void_cell])
-
-    aub = openmc.Universe()
-    aub.add_cells([shield_cell])
-
-    # n controls the dimension of subdivision within each outer lattice element
-    # E.g., n = 10 results in 1cm cubic FSRs
-    n = 2
-    delta = 10.0 / n
-    ll = [-5.0, -5.0, -5.0]
-    pitch = [delta, delta, delta]
-
-    source_lattice = openmc.RectLattice()
-    source_lattice.lower_left = ll
-    source_lattice.pitch = pitch
-    source_lattice.universes = fill_3d_list(n, sub)
-
-    void_lattice = openmc.RectLattice()
-    void_lattice.lower_left = ll
-    void_lattice.pitch = pitch
-    void_lattice.universes = fill_3d_list(n, vub)
-
-    shield_lattice = openmc.RectLattice()
-    shield_lattice.lower_left = ll
-    shield_lattice.pitch = pitch
-    shield_lattice.universes = fill_3d_list(n, aub)
-
-    source_lattice_cell = openmc.Cell(fill=source_lattice, name='source lattice cell')
-    su = openmc.Universe()
-    su.add_cells([source_lattice_cell])
-
-    void_lattice_cell = openmc.Cell(fill=void_lattice, name='void lattice cell')
-    vu = openmc.Universe()
-    vu.add_cells([void_lattice_cell])
-
-    shield_lattice_cell = openmc.Cell(fill=shield_lattice, name='shield lattice cell')
-    au = openmc.Universe()
-    au.add_cells([shield_lattice_cell])
-
-    z_base = [
-            [au, au, au, au, au, au],
-            [au, au, au, au, au, au],
-            [au, au, au, au, au, au],
-            [au, au, au, au, au, au],
-            [vu, vu, vu, vu, au, au],
-            [vu, au, au, au, au, au],
-            [vu, au, au, au, au, au],
-            [vu, au, au, au, au, au],
-            [vu, au, au, au, au, au],
-            [su, au, au, au, au, au]
-                         ]
-
-    z_col = [
-            [au, au, au, au, au, au],
-            [au, au, au, au, au, au],
-            [au, au, au, au, au, au],
-            [au, au, au, au, au, au],
-            [au, au, au, vu, au, au],
-            [au, au, au, au, au, au],
-            [au, au, au, au, au, au],
-            [au, au, au, au, au, au],
-            [au, au, au, au, au, au],
-            [au, au, au, au, au, au]
-                         ]
-
-    z_high = [
-            [au, au, au, vu, au, au],
-            [au, au, au, vu, au, au],
-            [au, au, au, vu, au, au],
-            [au, au, au, vu, au, au],
-            [au, au, au, vu, au, au],
-            [au, au, au, au, au, au],
-            [au, au, au, au, au, au],
-            [au, au, au, au, au, au],
-            [au, au, au, au, au, au],
-            [au, au, au, au, au, au]
-                         ]
-
-    z_cap = [
-            [au, au, au, au, au, au],
-            [au, au, au, au, au, au],
-            [au, au, au, au, au, au],
-            [au, au, au, au, au, au],
-            [au, au, au, au, au, au],
-            [au, au, au, au, au, au],
-            [au, au, au, au, au, au],
-            [au, au, au, au, au, au],
-            [au, au, au, au, au, au],
-            [au, au, au, au, au, au]
-                         ]
-
-    dogleg_pattern = [
-            z_base,
-            z_col,
-            z_col,
-            z_high,
-            z_cap,
-            z_cap
-            ]
-
-    x = 60.0
-    x_dim = 6
-
-    y = 100.0
-    y_dim = 10
-
-    z = 60.0
-    z_dim = 6
-
-    lattice = openmc.RectLattice()
-    lattice.lower_left = [0.0, 0.0, 0.0]
-    lattice.pitch = [x/x_dim, y/y_dim, z/z_dim]
-    lattice.universes = dogleg_pattern
-
-    lattice_cell = openmc.Cell(fill=lattice, name='dogleg lattice cell')
-
-    lattice_uni = openmc.Universe()
-    lattice_uni.add_cells([lattice_cell])
-
-    x_low  = openmc.XPlane(x0=0.0,boundary_type='reflective')
-    x_high = openmc.XPlane(x0=x,boundary_type='vacuum')
-
-    y_low  = openmc.YPlane(y0=0.0,boundary_type='reflective')
-    y_high = openmc.YPlane(y0=y,boundary_type='vacuum')
-
-    z_low  = openmc.ZPlane(z0=0.0,boundary_type='reflective')
-    z_high = openmc.ZPlane(z0=z,boundary_type='vacuum')
-
-    full_domain = openmc.Cell(fill=lattice_uni, region=+x_low & -x_high & +y_low & -y_high & +z_low & -z_high, name='full domain')
-
-    root = openmc.Universe(name='root universe')
-    root.add_cell(full_domain)
-
-    # Create a geometry with the two cells and export to XML
-    geometry = openmc.Geometry(root)
-
-    ###############################################################################
-    # Define problem settings
-
-    # Instantiate a Settings object, set all runtime parameters, and export to XML
-    settings = openmc.Settings()
-    settings.energy_mode = "multi-group"
-    settings.batches = 10
-    settings.inactive = 5
-    settings.particles = 1000
-    settings.run_mode = 'fixed source'
-
-    settings.random_ray['distance_active'] = 400.0
-    settings.random_ray['distance_inactive'] = 100.0
-    settings.random_ray['volume_normalized_flux_tallies'] = False
-
-    # Create an initial uniform spatial source for ray integration
-    lower_left = (0.0, 0.0, 0.0)
-    upper_right = (x, y, z)
-    uniform_dist = openmc.stats.Box(lower_left, upper_right)
-    settings.random_ray['ray_source']= openmc.IndependentSource(space=uniform_dist)
-
-    # Create the neutron source in the bottom right of the moderator
-    strengths = [1.0]
-    midpoints = [100.0]
-    energy_distribution = openmc.stats.Discrete(x=midpoints,p=strengths)
-    if domain_type == 'cell':
-        domain = source_lattice_cell
-    elif domain_type == 'material':
-        domain = source_mat
-    elif domain_type == 'universe':
-        domain = sub
-    source = openmc.IndependentSource(
-        energy=energy_distribution,
-        constraints={'domains': [domain]}
-    )
-    settings.source = [source]
-
-    ###############################################################################
-    # Define tallies
-
-    estimator = 'analog'
-
-    # Case 3A
-    mesh_3A = openmc.RegularMesh()
-    mesh_3A.dimension = (1, y_dim, 1)
-    mesh_3A.lower_left = (0.0, 0.0, 0.0)
-    mesh_3A.upper_right = (10.0, y, 10.0)
-    mesh_filter_3A = openmc.MeshFilter(mesh_3A)
-
-    tally_3A = openmc.Tally(name="Case 3A")
-    tally_3A.filters = [mesh_filter_3A]
-    tally_3A.scores = ['flux']
-    tally_3A.estimator = estimator
-
-    # Case 3B
-    mesh_3B = openmc.RegularMesh()
-    mesh_3B.dimension = (x_dim, 1, 1)
-    mesh_3B.lower_left = (0.0, 50.0, 0.0)
-    mesh_3B.upper_right = (x, 60.0, 10.0)
-    mesh_filter_3B = openmc.MeshFilter(mesh_3B)
-
-    tally_3B = openmc.Tally(name="Case 3B")
-    tally_3B.filters = [mesh_filter_3B]
-    tally_3B.scores = ['flux']
-    tally_3B.estimator = estimator
-
-    # Case 3C
-    mesh_3C = openmc.RegularMesh()
-    mesh_3C.dimension = (x_dim, 1, 1)
-    mesh_3C.lower_left = (0.0, 90.0, 30.0)
-    mesh_3C.upper_right = (x, 100.0, 40.0)
-    mesh_filter_3C = openmc.MeshFilter(mesh_3C)
-
-    tally_3C = openmc.Tally(name="Case 3C")
-    tally_3C.filters = [mesh_filter_3C]
-    tally_3C.scores = ['flux']
-    tally_3C.estimator = estimator
-
-    # Instantiate a Tallies collection and export to XML
-    tallies = openmc.Tallies([tally_3A, tally_3B, tally_3C])
-
-    ###############################################################################
-    # Assmble Model
-
-    model = openmc.model.Model()
-    model.geometry = geometry
-    model.materials = materials_file
-    model.settings = settings
-    model.xs_data = mg_cross_sections_file
-    model.tallies = tallies
-
-    return model
-
-@pytest.mark.parametrize("domain_type", ["cell", "material", "universe"])
-def test_random_ray_fixed_source(domain_type):
-    with change_directory(domain_type):
-        model = create_random_ray_model(domain_type)
-
-        harness = MGXSTestHarness('statepoint.10.h5', model)
-        harness.main()
diff --git a/tests/regression_tests/random_ray_fixed_source/universe/inputs_true.dat b/tests/regression_tests/random_ray_fixed_source/universe/inputs_true.dat
deleted file mode 100644
index efbc03adf..000000000
--- a/tests/regression_tests/random_ray_fixed_source/universe/inputs_true.dat
+++ /dev/null
@@ -1,205 +0,0 @@
-<?xml version='1.0' encoding='utf-8'?>
-<model>
-  <materials>
-    <cross_sections>mgxs.h5</cross_sections>
-    <material id="1" name="source">
-      <density units="macro" value="1.0"/>
-      <macroscopic name="source"/>
-    </material>
-    <material id="2" name="void">
-      <density units="macro" value="1.0"/>
-      <macroscopic name="void"/>
-    </material>
-    <material id="3" name="shield">
-      <density units="macro" value="1.0"/>
-      <macroscopic name="shield"/>
-    </material>
-  </materials>
-  <geometry>
-    <cell id="1" material="1" name="infinite source region" universe="1"/>
-    <cell id="2" material="2" name="infinite void region" universe="2"/>
-    <cell id="3" material="3" name="infinite shield region" universe="3"/>
-    <cell fill="4" id="4" name="source lattice cell" universe="7"/>
-    <cell fill="5" id="5" name="void lattice cell" universe="8"/>
-    <cell fill="6" id="6" name="shield lattice cell" universe="9"/>
-    <cell fill="10" id="7" name="dogleg lattice cell" universe="11"/>
-    <cell fill="11" id="8" name="full domain" region="1 -2 3 -4 5 -6" universe="12"/>
-    <lattice id="4">
-      <pitch>5.0 5.0 5.0</pitch>
-      <dimension>2 2 2</dimension>
-      <lower_left>-5.0 -5.0 -5.0</lower_left>
-      <universes>
-1 1 
-1 1 
-
-1 1 
-1 1 </universes>
-    </lattice>
-    <lattice id="5">
-      <pitch>5.0 5.0 5.0</pitch>
-      <dimension>2 2 2</dimension>
-      <lower_left>-5.0 -5.0 -5.0</lower_left>
-      <universes>
-2 2 
-2 2 
-
-2 2 
-2 2 </universes>
-    </lattice>
-    <lattice id="6">
-      <pitch>5.0 5.0 5.0</pitch>
-      <dimension>2 2 2</dimension>
-      <lower_left>-5.0 -5.0 -5.0</lower_left>
-      <universes>
-3 3 
-3 3 
-
-3 3 
-3 3 </universes>
-    </lattice>
-    <lattice id="10">
-      <pitch>10.0 10.0 10.0</pitch>
-      <dimension>6 10 6</dimension>
-      <lower_left>0.0 0.0 0.0</lower_left>
-      <universes>
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-8 8 8 8 9 9 
-8 9 9 9 9 9 
-8 9 9 9 9 9 
-8 9 9 9 9 9 
-8 9 9 9 9 9 
-7 9 9 9 9 9 
-
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 8 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 8 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-
-9 9 9 8 9 9 
-9 9 9 8 9 9 
-9 9 9 8 9 9 
-9 9 9 8 9 9 
-9 9 9 8 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 
-9 9 9 9 9 9 </universes>
-    </lattice>
-    <surface boundary="reflective" coeffs="0.0" id="1" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="60.0" id="2" type="x-plane"/>
-    <surface boundary="reflective" coeffs="0.0" id="3" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="100.0" id="4" type="y-plane"/>
-    <surface boundary="reflective" coeffs="0.0" id="5" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="60.0" id="6" type="z-plane"/>
-  </geometry>
-  <settings>
-    <run_mode>fixed source</run_mode>
-    <particles>1000</particles>
-    <batches>10</batches>
-    <inactive>5</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
-      <energy type="discrete">
-        <parameters>100.0 1.0</parameters>
-      </energy>
-      <constraints>
-        <domain_type>universe</domain_type>
-        <domain_ids>1</domain_ids>
-      </constraints>
-    </source>
-    <energy_mode>multi-group</energy_mode>
-    <random_ray>
-      <distance_active>400.0</distance_active>
-      <distance_inactive>100.0</distance_inactive>
-      <volume_normalized_flux_tallies>False</volume_normalized_flux_tallies>
-      <source particle="neutron" strength="1.0" type="independent">
-        <space type="box">
-          <parameters>0.0 0.0 0.0 60.0 100.0 60.0</parameters>
-        </space>
-      </source>
-    </random_ray>
-  </settings>
-  <tallies>
-    <mesh id="1">
-      <dimension>1 10 1</dimension>
-      <lower_left>0.0 0.0 0.0</lower_left>
-      <upper_right>10.0 100.0 10.0</upper_right>
-    </mesh>
-    <mesh id="2">
-      <dimension>6 1 1</dimension>
-      <lower_left>0.0 50.0 0.0</lower_left>
-      <upper_right>60.0 60.0 10.0</upper_right>
-    </mesh>
-    <mesh id="3">
-      <dimension>6 1 1</dimension>
-      <lower_left>0.0 90.0 30.0</lower_left>
-      <upper_right>60.0 100.0 40.0</upper_right>
-    </mesh>
-    <filter id="1" type="mesh">
-      <bins>1</bins>
-    </filter>
-    <filter id="2" type="mesh">
-      <bins>2</bins>
-    </filter>
-    <filter id="3" type="mesh">
-      <bins>3</bins>
-    </filter>
-    <tally id="1" name="Case 3A">
-      <filters>1</filters>
-      <scores>flux</scores>
-      <estimator>analog</estimator>
-    </tally>
-    <tally id="2" name="Case 3B">
-      <filters>2</filters>
-      <scores>flux</scores>
-      <estimator>analog</estimator>
-    </tally>
-    <tally id="3" name="Case 3C">
-      <filters>3</filters>
-      <scores>flux</scores>
-      <estimator>analog</estimator>
-    </tally>
-  </tallies>
-</model>
diff --git a/tests/regression_tests/random_ray_fixed_source/universe/results_true.dat b/tests/regression_tests/random_ray_fixed_source/universe/results_true.dat
deleted file mode 100644
index ba1254d38..000000000
--- a/tests/regression_tests/random_ray_fixed_source/universe/results_true.dat
+++ /dev/null
@@ -1,47 +0,0 @@
-tally 1:
-3.751047E+01
-2.841797E+02
-1.000671E+01
-2.020214E+01
-3.979569E+00
-3.330838E+00
-2.552971E+00
-1.407542E+00
-1.736764E+00
-7.948004E-01
-1.178834E+00
-4.328006E-01
-6.953895E-01
-1.408391E-01
-2.389347E-01
-1.617450E-02
-8.128516E-02
-1.903860E-03
-2.764062E-02
-2.285458E-04
-tally 2:
-1.178834E+00
-4.328006E-01
-3.982124E-01
-4.138078E-02
-9.676374E-02
-1.919297E-03
-3.944531E-02
-3.133733E-04
-1.554518E-02
-5.084822E-05
-4.815079E-03
-4.681450E-06
-tally 3:
-1.635823E-03
-6.482611E-07
-1.248235E-03
-3.227247E-07
-1.248195E-03
-3.488233E-07
-1.030935E-03
-2.206418E-07
-5.670315E-04
-6.648507E-08
-2.393638E-04
-1.242517E-08
diff --git a/tests/regression_tests/random_ray_basic/__init__.py b/tests/regression_tests/random_ray_fixed_source_domain/__init__.py
similarity index 100%
rename from tests/regression_tests/random_ray_basic/__init__.py
rename to tests/regression_tests/random_ray_fixed_source_domain/__init__.py
diff --git a/tests/regression_tests/random_ray_fixed_source_domain/cell/inputs_true.dat b/tests/regression_tests/random_ray_fixed_source_domain/cell/inputs_true.dat
new file mode 100644
index 000000000..d6ca8918c
--- /dev/null
+++ b/tests/regression_tests/random_ray_fixed_source_domain/cell/inputs_true.dat
@@ -0,0 +1,244 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <cross_sections>mgxs.h5</cross_sections>
+    <material id="1" name="source">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="source"/>
+    </material>
+    <material id="2" name="void">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="void"/>
+    </material>
+    <material id="3" name="absorber">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="absorber"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" name="infinite source region" universe="1"/>
+    <cell id="2" material="2" name="infinite void region" universe="2"/>
+    <cell id="3" material="3" name="infinite absorber region" universe="3"/>
+    <cell fill="4" id="4" universe="5"/>
+    <cell fill="5" id="5" name="full domain" region="1 -2 3 -4 5 -6" universe="6"/>
+    <lattice id="4">
+      <pitch>2.5 2.5 2.5</pitch>
+      <dimension>12 12 12</dimension>
+      <lower_left>0.0 0.0 0.0</lower_left>
+      <universes>
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+1 1 2 2 2 2 2 2 2 2 3 3 
+1 1 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+1 1 2 2 2 2 2 2 2 2 3 3 
+1 1 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
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+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
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+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
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+2 2 2 2 2 2 2 2 2 2 3 3 
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+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 </universes>
+    </lattice>
+    <surface boundary="reflective" coeffs="0.0" id="1" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="30.0" id="2" type="x-plane"/>
+    <surface boundary="reflective" coeffs="0.0" id="3" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="30.0" id="4" type="y-plane"/>
+    <surface boundary="reflective" coeffs="0.0" id="5" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="30.0" id="6" type="z-plane"/>
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>90</particles>
+    <batches>10</batches>
+    <inactive>5</inactive>
+    <source particle="neutron" strength="3.14" type="independent">
+      <energy type="discrete">
+        <parameters>100.0 1.0</parameters>
+      </energy>
+      <constraints>
+        <domain_type>cell</domain_type>
+        <domain_ids>1</domain_ids>
+      </constraints>
+    </source>
+    <energy_mode>multi-group</energy_mode>
+    <random_ray>
+      <distance_active>500.0</distance_active>
+      <distance_inactive>100.0</distance_inactive>
+      <source particle="neutron" strength="1.0" type="independent">
+        <space type="box">
+          <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
+        </space>
+      </source>
+      <volume_normalized_flux_tallies>True</volume_normalized_flux_tallies>
+    </random_ray>
+  </settings>
+  <tallies>
+    <filter id="3" type="material">
+      <bins>1</bins>
+    </filter>
+    <filter id="2" type="material">
+      <bins>2</bins>
+    </filter>
+    <filter id="1" type="material">
+      <bins>3</bins>
+    </filter>
+    <tally id="3" name="Source Tally">
+      <filters>3</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="2" name="Void Tally">
+      <filters>2</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="1" name="Absorber Tally">
+      <filters>1</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/random_ray_fixed_source_domain/cell/results_true.dat b/tests/regression_tests/random_ray_fixed_source_domain/cell/results_true.dat
new file mode 100644
index 000000000..5f2975860
--- /dev/null
+++ b/tests/regression_tests/random_ray_fixed_source_domain/cell/results_true.dat
@@ -0,0 +1,9 @@
+tally 1:
+-5.745886E+02
+9.758367E+04
+tally 2:
+2.971927E-02
+1.827222E-04
+tally 3:
+1.978393E-03
+7.951531E-07
diff --git a/tests/regression_tests/random_ray_fixed_source_domain/material/inputs_true.dat b/tests/regression_tests/random_ray_fixed_source_domain/material/inputs_true.dat
new file mode 100644
index 000000000..7fae491ae
--- /dev/null
+++ b/tests/regression_tests/random_ray_fixed_source_domain/material/inputs_true.dat
@@ -0,0 +1,244 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <cross_sections>mgxs.h5</cross_sections>
+    <material id="1" name="source">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="source"/>
+    </material>
+    <material id="2" name="void">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="void"/>
+    </material>
+    <material id="3" name="absorber">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="absorber"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" name="infinite source region" universe="1"/>
+    <cell id="2" material="2" name="infinite void region" universe="2"/>
+    <cell id="3" material="3" name="infinite absorber region" universe="3"/>
+    <cell fill="4" id="4" universe="5"/>
+    <cell fill="5" id="5" name="full domain" region="1 -2 3 -4 5 -6" universe="6"/>
+    <lattice id="4">
+      <pitch>2.5 2.5 2.5</pitch>
+      <dimension>12 12 12</dimension>
+      <lower_left>0.0 0.0 0.0</lower_left>
+      <universes>
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
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+2 2 2 2 2 2 2 2 2 2 3 3 
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+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+1 1 2 2 2 2 2 2 2 2 3 3 
+1 1 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
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+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+1 1 2 2 2 2 2 2 2 2 3 3 
+1 1 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
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+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
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+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
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+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
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+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
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+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 </universes>
+    </lattice>
+    <surface boundary="reflective" coeffs="0.0" id="1" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="30.0" id="2" type="x-plane"/>
+    <surface boundary="reflective" coeffs="0.0" id="3" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="30.0" id="4" type="y-plane"/>
+    <surface boundary="reflective" coeffs="0.0" id="5" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="30.0" id="6" type="z-plane"/>
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>90</particles>
+    <batches>10</batches>
+    <inactive>5</inactive>
+    <source particle="neutron" strength="3.14" type="independent">
+      <energy type="discrete">
+        <parameters>100.0 1.0</parameters>
+      </energy>
+      <constraints>
+        <domain_type>material</domain_type>
+        <domain_ids>1</domain_ids>
+      </constraints>
+    </source>
+    <energy_mode>multi-group</energy_mode>
+    <random_ray>
+      <distance_active>500.0</distance_active>
+      <distance_inactive>100.0</distance_inactive>
+      <source particle="neutron" strength="1.0" type="independent">
+        <space type="box">
+          <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
+        </space>
+      </source>
+      <volume_normalized_flux_tallies>True</volume_normalized_flux_tallies>
+    </random_ray>
+  </settings>
+  <tallies>
+    <filter id="3" type="material">
+      <bins>1</bins>
+    </filter>
+    <filter id="2" type="material">
+      <bins>2</bins>
+    </filter>
+    <filter id="1" type="material">
+      <bins>3</bins>
+    </filter>
+    <tally id="3" name="Source Tally">
+      <filters>3</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="2" name="Void Tally">
+      <filters>2</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="1" name="Absorber Tally">
+      <filters>1</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/random_ray_fixed_source_domain/material/results_true.dat b/tests/regression_tests/random_ray_fixed_source_domain/material/results_true.dat
new file mode 100644
index 000000000..5f2975860
--- /dev/null
+++ b/tests/regression_tests/random_ray_fixed_source_domain/material/results_true.dat
@@ -0,0 +1,9 @@
+tally 1:
+-5.745886E+02
+9.758367E+04
+tally 2:
+2.971927E-02
+1.827222E-04
+tally 3:
+1.978393E-03
+7.951531E-07
diff --git a/tests/regression_tests/random_ray_fixed_source_domain/test.py b/tests/regression_tests/random_ray_fixed_source_domain/test.py
new file mode 100644
index 000000000..5885a9200
--- /dev/null
+++ b/tests/regression_tests/random_ray_fixed_source_domain/test.py
@@ -0,0 +1,51 @@
+import os
+
+import openmc
+from openmc.utility_funcs import change_directory
+from openmc.examples import random_ray_three_region_cube
+import pytest
+
+from tests.testing_harness import TolerantPyAPITestHarness
+
+
+class MGXSTestHarness(TolerantPyAPITestHarness):
+    def _cleanup(self):
+        super()._cleanup()
+        f = 'mgxs.h5'
+        if os.path.exists(f):
+            os.remove(f)
+
+
+@pytest.mark.parametrize("domain_type", ["cell", "material", "universe"])
+def test_random_ray_fixed_source(domain_type):
+    with change_directory(domain_type):
+        openmc.reset_auto_ids()
+        model = random_ray_three_region_cube()
+
+        # Based on the parameter, we need to adjust
+        # the particle source constraints
+        source = model.settings.source[0]
+        constraints = source.constraints
+
+        if domain_type == 'cell':
+            cells = model.geometry.get_all_cells()
+            for key, cell in cells.items():
+                print(cell.name)
+                if cell.name == 'infinite source region':
+                    constraints['domain_type'] = 'cell'
+                    constraints['domain_ids'] = [cell.id]
+        elif domain_type == 'material':
+            materials = model.materials
+            for material in materials:
+                if material.name == 'source':
+                    constraints['domain_type'] = 'material'
+                    constraints['domain_ids'] = [material.id]
+        elif domain_type == 'universe':
+            universes = model.geometry.get_all_universes()
+            for key, universe in universes.items():
+                if universe.name == 'source universe':
+                    constraints['domain_type'] = 'universe'
+                    constraints['domain_ids'] = [universe.id]
+
+        harness = MGXSTestHarness('statepoint.10.h5', model)
+        harness.main()
diff --git a/tests/regression_tests/random_ray_fixed_source_domain/universe/inputs_true.dat b/tests/regression_tests/random_ray_fixed_source_domain/universe/inputs_true.dat
new file mode 100644
index 000000000..75d84efe9
--- /dev/null
+++ b/tests/regression_tests/random_ray_fixed_source_domain/universe/inputs_true.dat
@@ -0,0 +1,244 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <cross_sections>mgxs.h5</cross_sections>
+    <material id="1" name="source">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="source"/>
+    </material>
+    <material id="2" name="void">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="void"/>
+    </material>
+    <material id="3" name="absorber">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="absorber"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" name="infinite source region" universe="1"/>
+    <cell id="2" material="2" name="infinite void region" universe="2"/>
+    <cell id="3" material="3" name="infinite absorber region" universe="3"/>
+    <cell fill="4" id="4" universe="5"/>
+    <cell fill="5" id="5" name="full domain" region="1 -2 3 -4 5 -6" universe="6"/>
+    <lattice id="4">
+      <pitch>2.5 2.5 2.5</pitch>
+      <dimension>12 12 12</dimension>
+      <lower_left>0.0 0.0 0.0</lower_left>
+      <universes>
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+1 1 2 2 2 2 2 2 2 2 3 3 
+1 1 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+1 1 2 2 2 2 2 2 2 2 3 3 
+1 1 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 </universes>
+    </lattice>
+    <surface boundary="reflective" coeffs="0.0" id="1" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="30.0" id="2" type="x-plane"/>
+    <surface boundary="reflective" coeffs="0.0" id="3" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="30.0" id="4" type="y-plane"/>
+    <surface boundary="reflective" coeffs="0.0" id="5" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="30.0" id="6" type="z-plane"/>
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>90</particles>
+    <batches>10</batches>
+    <inactive>5</inactive>
+    <source particle="neutron" strength="3.14" type="independent">
+      <energy type="discrete">
+        <parameters>100.0 1.0</parameters>
+      </energy>
+      <constraints>
+        <domain_type>universe</domain_type>
+        <domain_ids>1</domain_ids>
+      </constraints>
+    </source>
+    <energy_mode>multi-group</energy_mode>
+    <random_ray>
+      <distance_active>500.0</distance_active>
+      <distance_inactive>100.0</distance_inactive>
+      <source particle="neutron" strength="1.0" type="independent">
+        <space type="box">
+          <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
+        </space>
+      </source>
+      <volume_normalized_flux_tallies>True</volume_normalized_flux_tallies>
+    </random_ray>
+  </settings>
+  <tallies>
+    <filter id="3" type="material">
+      <bins>1</bins>
+    </filter>
+    <filter id="2" type="material">
+      <bins>2</bins>
+    </filter>
+    <filter id="1" type="material">
+      <bins>3</bins>
+    </filter>
+    <tally id="3" name="Source Tally">
+      <filters>3</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="2" name="Void Tally">
+      <filters>2</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="1" name="Absorber Tally">
+      <filters>1</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/random_ray_fixed_source_domain/universe/results_true.dat b/tests/regression_tests/random_ray_fixed_source_domain/universe/results_true.dat
new file mode 100644
index 000000000..5f2975860
--- /dev/null
+++ b/tests/regression_tests/random_ray_fixed_source_domain/universe/results_true.dat
@@ -0,0 +1,9 @@
+tally 1:
+-5.745886E+02
+9.758367E+04
+tally 2:
+2.971927E-02
+1.827222E-04
+tally 3:
+1.978393E-03
+7.951531E-07
diff --git a/tests/regression_tests/random_ray_fixed_source_normalization/False/inputs_true.dat b/tests/regression_tests/random_ray_fixed_source_normalization/False/inputs_true.dat
new file mode 100644
index 000000000..559cff0f0
--- /dev/null
+++ b/tests/regression_tests/random_ray_fixed_source_normalization/False/inputs_true.dat
@@ -0,0 +1,244 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <cross_sections>mgxs.h5</cross_sections>
+    <material id="1" name="source">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="source"/>
+    </material>
+    <material id="2" name="void">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="void"/>
+    </material>
+    <material id="3" name="absorber">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="absorber"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" name="infinite source region" universe="1"/>
+    <cell id="2" material="2" name="infinite void region" universe="2"/>
+    <cell id="3" material="3" name="infinite absorber region" universe="3"/>
+    <cell fill="4" id="4" universe="5"/>
+    <cell fill="5" id="5" name="full domain" region="1 -2 3 -4 5 -6" universe="6"/>
+    <lattice id="4">
+      <pitch>2.5 2.5 2.5</pitch>
+      <dimension>12 12 12</dimension>
+      <lower_left>0.0 0.0 0.0</lower_left>
+      <universes>
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+1 1 2 2 2 2 2 2 2 2 3 3 
+1 1 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+1 1 2 2 2 2 2 2 2 2 3 3 
+1 1 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 </universes>
+    </lattice>
+    <surface boundary="reflective" coeffs="0.0" id="1" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="30.0" id="2" type="x-plane"/>
+    <surface boundary="reflective" coeffs="0.0" id="3" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="30.0" id="4" type="y-plane"/>
+    <surface boundary="reflective" coeffs="0.0" id="5" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="30.0" id="6" type="z-plane"/>
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>90</particles>
+    <batches>10</batches>
+    <inactive>5</inactive>
+    <source particle="neutron" strength="3.14" type="independent">
+      <energy type="discrete">
+        <parameters>100.0 1.0</parameters>
+      </energy>
+      <constraints>
+        <domain_type>universe</domain_type>
+        <domain_ids>1</domain_ids>
+      </constraints>
+    </source>
+    <energy_mode>multi-group</energy_mode>
+    <random_ray>
+      <distance_active>500.0</distance_active>
+      <distance_inactive>100.0</distance_inactive>
+      <source particle="neutron" strength="1.0" type="independent">
+        <space type="box">
+          <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
+        </space>
+      </source>
+      <volume_normalized_flux_tallies>False</volume_normalized_flux_tallies>
+    </random_ray>
+  </settings>
+  <tallies>
+    <filter id="3" type="material">
+      <bins>1</bins>
+    </filter>
+    <filter id="2" type="material">
+      <bins>2</bins>
+    </filter>
+    <filter id="1" type="material">
+      <bins>3</bins>
+    </filter>
+    <tally id="3" name="Source Tally">
+      <filters>3</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="2" name="Void Tally">
+      <filters>2</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="1" name="Absorber Tally">
+      <filters>1</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/random_ray_fixed_source_normalization/False/results_true.dat b/tests/regression_tests/random_ray_fixed_source_normalization/False/results_true.dat
new file mode 100644
index 000000000..dbe778df9
--- /dev/null
+++ b/tests/regression_tests/random_ray_fixed_source_normalization/False/results_true.dat
@@ -0,0 +1,9 @@
+tally 1:
+-6.614590E+04
+1.283943E+09
+tally 2:
+4.612657E+02
+4.402080E+04
+tally 3:
+2.248302E+01
+1.026884E+02
diff --git a/tests/regression_tests/random_ray_fixed_source_normalization/True/inputs_true.dat b/tests/regression_tests/random_ray_fixed_source_normalization/True/inputs_true.dat
new file mode 100644
index 000000000..75d84efe9
--- /dev/null
+++ b/tests/regression_tests/random_ray_fixed_source_normalization/True/inputs_true.dat
@@ -0,0 +1,244 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <cross_sections>mgxs.h5</cross_sections>
+    <material id="1" name="source">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="source"/>
+    </material>
+    <material id="2" name="void">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="void"/>
+    </material>
+    <material id="3" name="absorber">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="absorber"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" name="infinite source region" universe="1"/>
+    <cell id="2" material="2" name="infinite void region" universe="2"/>
+    <cell id="3" material="3" name="infinite absorber region" universe="3"/>
+    <cell fill="4" id="4" universe="5"/>
+    <cell fill="5" id="5" name="full domain" region="1 -2 3 -4 5 -6" universe="6"/>
+    <lattice id="4">
+      <pitch>2.5 2.5 2.5</pitch>
+      <dimension>12 12 12</dimension>
+      <lower_left>0.0 0.0 0.0</lower_left>
+      <universes>
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+1 1 2 2 2 2 2 2 2 2 3 3 
+1 1 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+1 1 2 2 2 2 2 2 2 2 3 3 
+1 1 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
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+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 </universes>
+    </lattice>
+    <surface boundary="reflective" coeffs="0.0" id="1" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="30.0" id="2" type="x-plane"/>
+    <surface boundary="reflective" coeffs="0.0" id="3" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="30.0" id="4" type="y-plane"/>
+    <surface boundary="reflective" coeffs="0.0" id="5" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="30.0" id="6" type="z-plane"/>
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>90</particles>
+    <batches>10</batches>
+    <inactive>5</inactive>
+    <source particle="neutron" strength="3.14" type="independent">
+      <energy type="discrete">
+        <parameters>100.0 1.0</parameters>
+      </energy>
+      <constraints>
+        <domain_type>universe</domain_type>
+        <domain_ids>1</domain_ids>
+      </constraints>
+    </source>
+    <energy_mode>multi-group</energy_mode>
+    <random_ray>
+      <distance_active>500.0</distance_active>
+      <distance_inactive>100.0</distance_inactive>
+      <source particle="neutron" strength="1.0" type="independent">
+        <space type="box">
+          <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
+        </space>
+      </source>
+      <volume_normalized_flux_tallies>True</volume_normalized_flux_tallies>
+    </random_ray>
+  </settings>
+  <tallies>
+    <filter id="3" type="material">
+      <bins>1</bins>
+    </filter>
+    <filter id="2" type="material">
+      <bins>2</bins>
+    </filter>
+    <filter id="1" type="material">
+      <bins>3</bins>
+    </filter>
+    <tally id="3" name="Source Tally">
+      <filters>3</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="2" name="Void Tally">
+      <filters>2</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="1" name="Absorber Tally">
+      <filters>1</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/random_ray_fixed_source_normalization/True/results_true.dat b/tests/regression_tests/random_ray_fixed_source_normalization/True/results_true.dat
new file mode 100644
index 000000000..5f2975860
--- /dev/null
+++ b/tests/regression_tests/random_ray_fixed_source_normalization/True/results_true.dat
@@ -0,0 +1,9 @@
+tally 1:
+-5.745886E+02
+9.758367E+04
+tally 2:
+2.971927E-02
+1.827222E-04
+tally 3:
+1.978393E-03
+7.951531E-07
diff --git a/tests/regression_tests/random_ray_cube/__init__.py b/tests/regression_tests/random_ray_fixed_source_normalization/__init__.py
similarity index 100%
rename from tests/regression_tests/random_ray_cube/__init__.py
rename to tests/regression_tests/random_ray_fixed_source_normalization/__init__.py
diff --git a/tests/regression_tests/random_ray_fixed_source_normalization/test.py b/tests/regression_tests/random_ray_fixed_source_normalization/test.py
new file mode 100644
index 000000000..3fa4ba2a6
--- /dev/null
+++ b/tests/regression_tests/random_ray_fixed_source_normalization/test.py
@@ -0,0 +1,27 @@
+import os
+
+import openmc
+from openmc.utility_funcs import change_directory
+from openmc.examples import random_ray_three_region_cube
+import pytest
+
+from tests.testing_harness import TolerantPyAPITestHarness
+
+
+class MGXSTestHarness(TolerantPyAPITestHarness):
+    def _cleanup(self):
+        super()._cleanup()
+        f = 'mgxs.h5'
+        if os.path.exists(f):
+            os.remove(f)
+
+
+@pytest.mark.parametrize("normalize", [True, False])
+def test_random_ray_fixed_source(normalize):
+    with change_directory(str(normalize)):
+        openmc.reset_auto_ids()
+        model = random_ray_three_region_cube()
+        model.settings.random_ray['volume_normalized_flux_tallies'] = normalize
+
+        harness = MGXSTestHarness('statepoint.10.h5', model)
+        harness.main()
diff --git a/tests/regression_tests/random_ray_fixed_source/__init__.py b/tests/regression_tests/random_ray_k_eff/__init__.py
similarity index 100%
rename from tests/regression_tests/random_ray_fixed_source/__init__.py
rename to tests/regression_tests/random_ray_k_eff/__init__.py
diff --git a/tests/regression_tests/random_ray_basic/inputs_true.dat b/tests/regression_tests/random_ray_k_eff/inputs_true.dat
similarity index 100%
rename from tests/regression_tests/random_ray_basic/inputs_true.dat
rename to tests/regression_tests/random_ray_k_eff/inputs_true.dat
diff --git a/tests/regression_tests/random_ray_basic/results_true.dat b/tests/regression_tests/random_ray_k_eff/results_true.dat
similarity index 100%
rename from tests/regression_tests/random_ray_basic/results_true.dat
rename to tests/regression_tests/random_ray_k_eff/results_true.dat
diff --git a/tests/regression_tests/random_ray_k_eff/test.py b/tests/regression_tests/random_ray_k_eff/test.py
new file mode 100644
index 000000000..8dd0dd915
--- /dev/null
+++ b/tests/regression_tests/random_ray_k_eff/test.py
@@ -0,0 +1,19 @@
+import os
+
+from openmc.examples import random_ray_lattice
+
+from tests.testing_harness import TolerantPyAPITestHarness
+
+
+class MGXSTestHarness(TolerantPyAPITestHarness):
+    def _cleanup(self):
+        super()._cleanup()
+        f = 'mgxs.h5'
+        if os.path.exists(f):
+            os.remove(f)
+
+
+def test_random_ray_basic():
+    model = random_ray_lattice()
+    harness = MGXSTestHarness('statepoint.10.h5', model)
+    harness.main()
diff --git a/tests/regression_tests/random_ray_vacuum/__init__.py b/tests/regression_tests/random_ray_vacuum/__init__.py
deleted file mode 100644
index e69de29bb..000000000
diff --git a/tests/regression_tests/random_ray_vacuum/inputs_true.dat b/tests/regression_tests/random_ray_vacuum/inputs_true.dat
deleted file mode 100644
index 5b2fa0905..000000000
--- a/tests/regression_tests/random_ray_vacuum/inputs_true.dat
+++ /dev/null
@@ -1,109 +0,0 @@
-<?xml version='1.0' encoding='utf-8'?>
-<model>
-  <materials>
-    <cross_sections>mgxs.h5</cross_sections>
-    <material id="1" name="UO2 fuel">
-      <density units="macro" value="1.0"/>
-      <macroscopic name="UO2"/>
-    </material>
-    <material id="2" name="Water">
-      <density units="macro" value="1.0"/>
-      <macroscopic name="LWTR"/>
-    </material>
-  </materials>
-  <geometry>
-    <cell id="1" material="1" name="fuel inner a" region="-2" universe="1"/>
-    <cell id="2" material="1" name="fuel inner b" region="2 -3" universe="1"/>
-    <cell id="3" material="1" name="fuel inner c" region="3 -1" universe="1"/>
-    <cell id="4" material="2" name="moderator inner a" region="1 -4" universe="1"/>
-    <cell id="5" material="2" name="moderator outer b" region="4 -5" universe="1"/>
-    <cell id="6" material="2" name="moderator outer c" region="5" universe="1"/>
-    <cell fill="1" id="7" name="azimuthal_cell_0" region="6 -7" universe="2"/>
-    <cell fill="1" id="8" name="azimuthal_cell_1" region="7 -8" universe="2"/>
-    <cell fill="1" id="9" name="azimuthal_cell_2" region="8 -9" universe="2"/>
-    <cell fill="1" id="10" name="azimuthal_cell_3" region="9 -10" universe="2"/>
-    <cell fill="1" id="11" name="azimuthal_cell_4" region="10 -11" universe="2"/>
-    <cell fill="1" id="12" name="azimuthal_cell_5" region="11 -12" universe="2"/>
-    <cell fill="1" id="13" name="azimuthal_cell_6" region="12 -13" universe="2"/>
-    <cell fill="1" id="14" name="azimuthal_cell_7" region="13 -6" universe="2"/>
-    <cell id="15" material="2" name="moderator infinite" universe="3"/>
-    <cell fill="4" id="16" universe="5"/>
-    <cell fill="6" id="17" name="assembly" region="14 -15 16 -17" universe="7"/>
-    <lattice id="4">
-      <pitch>0.126 0.126</pitch>
-      <dimension>10 10</dimension>
-      <lower_left>-0.63 -0.63</lower_left>
-      <universes>
-3 3 3 3 3 3 3 3 3 3 
-3 3 3 3 3 3 3 3 3 3 
-3 3 3 3 3 3 3 3 3 3 
-3 3 3 3 3 3 3 3 3 3 
-3 3 3 3 3 3 3 3 3 3 
-3 3 3 3 3 3 3 3 3 3 
-3 3 3 3 3 3 3 3 3 3 
-3 3 3 3 3 3 3 3 3 3 
-3 3 3 3 3 3 3 3 3 3 
-3 3 3 3 3 3 3 3 3 3 </universes>
-    </lattice>
-    <lattice id="6">
-      <pitch>1.26 1.26</pitch>
-      <dimension>2 2</dimension>
-      <lower_left>-1.26 -1.26</lower_left>
-      <universes>
-2 2 
-2 5 </universes>
-    </lattice>
-    <surface coeffs="0.0 0.0 0.54" id="1" name="Fuel OR" type="z-cylinder"/>
-    <surface coeffs="0.0 0.0 0.33" id="2" name="inner ring a" type="z-cylinder"/>
-    <surface coeffs="0.0 0.0 0.45" id="3" name="inner ring b" type="z-cylinder"/>
-    <surface coeffs="0.0 0.0 0.6" id="4" name="outer ring a" type="z-cylinder"/>
-    <surface coeffs="0.0 0.0 0.69" id="5" name="outer ring b" type="z-cylinder"/>
-    <surface coeffs="-0.0 1.0 0 0" id="6" type="plane"/>
-    <surface coeffs="-0.7071067811865475 0.7071067811865476 0 0" id="7" type="plane"/>
-    <surface coeffs="-1.0 6.123233995736766e-17 0 0" id="8" type="plane"/>
-    <surface coeffs="-0.7071067811865476 -0.7071067811865475 0 0" id="9" type="plane"/>
-    <surface coeffs="-1.2246467991473532e-16 -1.0 0 0" id="10" type="plane"/>
-    <surface coeffs="0.7071067811865475 -0.7071067811865477 0 0" id="11" type="plane"/>
-    <surface coeffs="1.0 -1.8369701987210297e-16 0 0" id="12" type="plane"/>
-    <surface coeffs="0.7071067811865477 0.7071067811865474 0 0" id="13" type="plane"/>
-    <surface boundary="vacuum" coeffs="-1.26" id="14" name="minimum x" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="1.26" id="15" name="maximum x" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="-1.26" id="16" name="minimum y" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="1.26" id="17" name="maximum y" type="y-plane"/>
-  </geometry>
-  <settings>
-    <run_mode>eigenvalue</run_mode>
-    <particles>100</particles>
-    <batches>10</batches>
-    <inactive>5</inactive>
-    <energy_mode>multi-group</energy_mode>
-    <random_ray>
-      <distance_active>100.0</distance_active>
-      <distance_inactive>20.0</distance_inactive>
-      <source particle="neutron" strength="1.0" type="independent">
-        <space type="box">
-          <parameters>-1.26 -1.26 -1 1.26 1.26 1</parameters>
-        </space>
-      </source>
-      <volume_normalized_flux_tallies>True</volume_normalized_flux_tallies>
-    </random_ray>
-  </settings>
-  <tallies>
-    <mesh id="1">
-      <dimension>2 2</dimension>
-      <lower_left>-1.26 -1.26</lower_left>
-      <upper_right>1.26 1.26</upper_right>
-    </mesh>
-    <filter id="1" type="mesh">
-      <bins>1</bins>
-    </filter>
-    <filter id="2" type="energy">
-      <bins>1e-05 0.0635 10.0 100.0 1000.0 500000.0 1000000.0 20000000.0</bins>
-    </filter>
-    <tally id="1" name="Mesh tally">
-      <filters>1 2</filters>
-      <scores>flux fission nu-fission</scores>
-      <estimator>analog</estimator>
-    </tally>
-  </tallies>
-</model>
diff --git a/tests/regression_tests/random_ray_vacuum/results_true.dat b/tests/regression_tests/random_ray_vacuum/results_true.dat
deleted file mode 100644
index c25999aad..000000000
--- a/tests/regression_tests/random_ray_vacuum/results_true.dat
+++ /dev/null
@@ -1,171 +0,0 @@
-k-combined:
-1.010455E-01 1.585558E-02
-tally 1:
-7.466984E-01
-1.245920E-01
-2.771079E-01
-1.714504E-02
-6.744252E-01
-1.015566E-01
-1.634870E-01
-6.288701E-03
-2.405120E-02
-1.362874E-04
-5.853580E-02
-8.072823E-04
-1.641162E-02
-6.568765E-05
-5.223801E-04
-6.753516E-08
-1.271369E-03
-4.000365E-07
-3.014736E-02
-1.922973E-04
-9.765325E-04
-2.043645E-07
-2.376685E-03
-1.210529E-06
-1.562379E-01
-4.906526E-03
-1.746664E-03
-6.141658E-07
-4.251084E-03
-3.638028E-06
-1.826385E+00
-6.678141E-01
-3.095716E-03
-1.920117E-06
-7.660132E-03
-1.175650E-05
-2.013809E+00
-8.136726E-01
-3.015545E-02
-1.832201E-04
-8.387586E-02
-1.417475E-03
-1.573069E+00
-5.388374E-01
-0.000000E+00
-0.000000E+00
-0.000000E+00
-0.000000E+00
-2.867849E-01
-1.864798E-02
-0.000000E+00
-0.000000E+00
-0.000000E+00
-0.000000E+00
-2.136372E-02
-1.035499E-04
-0.000000E+00
-0.000000E+00
-0.000000E+00
-0.000000E+00
-3.973323E-02
-3.229766E-04
-0.000000E+00
-0.000000E+00
-0.000000E+00
-0.000000E+00
-1.779974E-01
-6.350613E-03
-0.000000E+00
-0.000000E+00
-0.000000E+00
-0.000000E+00
-1.036886E+00
-2.151147E-01
-0.000000E+00
-0.000000E+00
-0.000000E+00
-0.000000E+00
-1.109991E+00
-2.468005E-01
-0.000000E+00
-0.000000E+00
-0.000000E+00
-0.000000E+00
-5.813217E-01
-7.704274E-02
-2.160141E-01
-1.062660E-02
-5.257350E-01
-6.294540E-02
-1.358032E-01
-4.462239E-03
-2.030839E-02
-1.002755E-04
-4.942655E-02
-5.939703E-04
-1.612888E-02
-6.604109E-05
-5.274425E-04
-7.250333E-08
-1.283689E-03
-4.294649E-07
-2.985723E-02
-1.925418E-04
-9.868482E-04
-2.142916E-07
-2.401791E-03
-1.269331E-06
-1.590678E-01
-5.110940E-03
-1.800903E-03
-6.566490E-07
-4.383091E-03
-3.889678E-06
-1.928611E+00
-7.475889E-01
-3.310101E-03
-2.209547E-06
-8.190613E-03
-1.352862E-05
-2.172777E+00
-9.544513E-01
-3.334566E-02
-2.267149E-04
-9.274926E-02
-1.753971E-03
-7.566911E-01
-1.278105E-01
-2.881892E-01
-1.854375E-02
-7.013949E-01
-1.098417E-01
-1.662732E-01
-6.495387E-03
-2.515274E-02
-1.488430E-04
-6.121675E-02
-8.816538E-04
-1.682747E-02
-6.933017E-05
-5.514441E-04
-7.567901E-08
-1.342104E-03
-4.482757E-07
-3.068773E-02
-1.997062E-04
-1.021094E-03
-2.240938E-07
-2.485139E-03
-1.327393E-06
-1.578722E-01
-5.013656E-03
-1.812622E-03
-6.620083E-07
-4.411613E-03
-3.921424E-06
-1.922798E+00
-7.400474E-01
-3.401690E-03
-2.320513E-06
-8.417243E-03
-1.420805E-05
-2.178318E+00
-9.546106E-01
-3.451316E-02
-2.421994E-04
-9.599661E-02
-1.873766E-03
diff --git a/tests/regression_tests/random_ray_vacuum/test.py b/tests/regression_tests/random_ray_vacuum/test.py
deleted file mode 100644
index 3923b8a81..000000000
--- a/tests/regression_tests/random_ray_vacuum/test.py
+++ /dev/null
@@ -1,236 +0,0 @@
-import os
-
-import numpy as np
-import openmc
-
-from tests.testing_harness import TolerantPyAPITestHarness
-
-
-class MGXSTestHarness(TolerantPyAPITestHarness):
-    def _cleanup(self):
-        super()._cleanup()
-        f = 'mgxs.h5'
-        if os.path.exists(f):
-            os.remove(f)
-
-
-def random_ray_model() -> openmc.Model:
-    ###############################################################################
-    # Create multigroup data
-
-    # Instantiate the energy group data
-    group_edges = [1e-5, 0.0635, 10.0, 1.0e2, 1.0e3, 0.5e6, 1.0e6, 20.0e6]
-    groups = openmc.mgxs.EnergyGroups(group_edges)
-
-    # Instantiate the 7-group (C5G7) cross section data
-    uo2_xsdata = openmc.XSdata('UO2', groups)
-    uo2_xsdata.order = 0
-    uo2_xsdata.set_total(
-        [0.1779492, 0.3298048, 0.4803882, 0.5543674, 0.3118013, 0.3951678,
-         0.5644058])
-    uo2_xsdata.set_absorption([8.0248e-03, 3.7174e-03, 2.6769e-02, 9.6236e-02,
-                               3.0020e-02, 1.1126e-01, 2.8278e-01])
-    scatter_matrix = np.array(
-        [[[0.1275370, 0.0423780, 0.0000094, 0.0000000, 0.0000000, 0.0000000, 0.0000000],
-          [0.0000000, 0.3244560, 0.0016314, 0.0000000, 0.0000000, 0.0000000, 0.0000000],
-          [0.0000000, 0.0000000, 0.4509400, 0.0026792, 0.0000000, 0.0000000, 0.0000000],
-          [0.0000000, 0.0000000, 0.0000000, 0.4525650, 0.0055664, 0.0000000, 0.0000000],
-          [0.0000000, 0.0000000, 0.0000000, 0.0001253, 0.2714010, 0.0102550, 0.0000000],
-          [0.0000000, 0.0000000, 0.0000000, 0.0000000, 0.0012968, 0.2658020, 0.0168090],
-          [0.0000000, 0.0000000, 0.0000000, 0.0000000, 0.0000000, 0.0085458, 0.2730800]]])
-    scatter_matrix = np.rollaxis(scatter_matrix, 0, 3)
-    uo2_xsdata.set_scatter_matrix(scatter_matrix)
-    uo2_xsdata.set_fission([7.21206e-03, 8.19301e-04, 6.45320e-03,
-                            1.85648e-02, 1.78084e-02, 8.30348e-02,
-                            2.16004e-01])
-    uo2_xsdata.set_nu_fission([2.005998e-02, 2.027303e-03, 1.570599e-02,
-                               4.518301e-02, 4.334208e-02, 2.020901e-01,
-                               5.257105e-01])
-    uo2_xsdata.set_chi([5.8791e-01, 4.1176e-01, 3.3906e-04, 1.1761e-07, 0.0000e+00,
-                        0.0000e+00, 0.0000e+00])
-
-    h2o_xsdata = openmc.XSdata('LWTR', groups)
-    h2o_xsdata.order = 0
-    h2o_xsdata.set_total([0.15920605, 0.412969593, 0.59030986, 0.58435,
-                          0.718, 1.2544497, 2.650379])
-    h2o_xsdata.set_absorption([6.0105e-04, 1.5793e-05, 3.3716e-04,
-                               1.9406e-03, 5.7416e-03, 1.5001e-02,
-                               3.7239e-02])
-    scatter_matrix = np.array(
-        [[[0.0444777, 0.1134000, 0.0007235, 0.0000037, 0.0000001, 0.0000000, 0.0000000],
-          [0.0000000, 0.2823340, 0.1299400, 0.0006234, 0.0000480, 0.0000074, 0.0000010],
-          [0.0000000, 0.0000000, 0.3452560, 0.2245700, 0.0169990, 0.0026443, 0.0005034],
-          [0.0000000, 0.0000000, 0.0000000, 0.0910284, 0.4155100, 0.0637320, 0.0121390],
-          [0.0000000, 0.0000000, 0.0000000, 0.0000714, 0.1391380, 0.5118200, 0.0612290],
-          [0.0000000, 0.0000000, 0.0000000, 0.0000000, 0.0022157, 0.6999130, 0.5373200],
-          [0.0000000, 0.0000000, 0.0000000, 0.0000000, 0.0000000, 0.1324400, 2.4807000]]])
-    scatter_matrix = np.rollaxis(scatter_matrix, 0, 3)
-    h2o_xsdata.set_scatter_matrix(scatter_matrix)
-
-    mg_cross_sections = openmc.MGXSLibrary(groups)
-    mg_cross_sections.add_xsdatas([uo2_xsdata, h2o_xsdata])
-    mg_cross_sections.export_to_hdf5()
-
-    ###############################################################################
-    # Create materials for the problem
-
-    # Instantiate some Materials and register the appropriate Macroscopic objects
-    uo2 = openmc.Material(name='UO2 fuel')
-    uo2.set_density('macro', 1.0)
-    uo2.add_macroscopic('UO2')
-
-    water = openmc.Material(name='Water')
-    water.set_density('macro', 1.0)
-    water.add_macroscopic('LWTR')
-
-    # Instantiate a Materials collection and export to XML
-    materials = openmc.Materials([uo2, water])
-    materials.cross_sections = "mgxs.h5"
-
-    ###############################################################################
-    # Define problem geometry
-
-    ########################################
-    # Define an unbounded pincell universe
-
-    pitch = 1.26
-
-    # Create a surface for the fuel outer radius
-    fuel_or = openmc.ZCylinder(r=0.54, name='Fuel OR')
-    inner_ring_a = openmc.ZCylinder(r=0.33, name='inner ring a')
-    inner_ring_b = openmc.ZCylinder(r=0.45, name='inner ring b')
-    outer_ring_a = openmc.ZCylinder(r=0.60, name='outer ring a')
-    outer_ring_b = openmc.ZCylinder(r=0.69, name='outer ring b')
-
-    # Instantiate Cells
-    fuel_a = openmc.Cell(fill=uo2, region=-inner_ring_a, name='fuel inner a')
-    fuel_b = openmc.Cell(fill=uo2, region=+inner_ring_a & -inner_ring_b, name='fuel inner b')
-    fuel_c = openmc.Cell(fill=uo2, region=+inner_ring_b & -fuel_or, name='fuel inner c')
-    moderator_a = openmc.Cell(fill=water, region=+fuel_or & -outer_ring_a, name='moderator inner a')
-    moderator_b = openmc.Cell(fill=water, region=+outer_ring_a & -outer_ring_b, name='moderator outer b')
-    moderator_c = openmc.Cell(fill=water, region=+outer_ring_b, name='moderator outer c')
-
-    # Create pincell universe
-    pincell_base = openmc.Universe()
-
-    # Register Cells with Universe
-    pincell_base.add_cells([fuel_a, fuel_b, fuel_c, moderator_a, moderator_b, moderator_c])
-
-    # Create planes for azimuthal sectors
-    azimuthal_planes = []
-    for i in range(8):
-        angle = 2 * i * openmc.pi / 8
-        normal_vector = (-openmc.sin(angle), openmc.cos(angle), 0)
-        azimuthal_planes.append(openmc.Plane(a=normal_vector[0], b=normal_vector[1], c=normal_vector[2], d=0))
-
-    # Create a cell for each azimuthal sector
-    azimuthal_cells = []
-    for i in range(8):
-        azimuthal_cell = openmc.Cell(name=f'azimuthal_cell_{i}')
-        azimuthal_cell.fill = pincell_base
-        azimuthal_cell.region = +azimuthal_planes[i] & -azimuthal_planes[(i+1) % 8]
-        azimuthal_cells.append(azimuthal_cell)
-
-    # Create a geometry with the azimuthal universes
-    pincell = openmc.Universe(cells=azimuthal_cells)
-
-    ########################################
-    # Define a moderator lattice universe
-
-    moderator_infinite = openmc.Cell(fill=water, name='moderator infinite')
-    mu = openmc.Universe()
-    mu.add_cells([moderator_infinite])
-
-    lattice = openmc.RectLattice()
-    lattice.lower_left = [-pitch/2.0, -pitch/2.0]
-    lattice.pitch = [pitch/10.0, pitch/10.0]
-    lattice.universes = np.full((10, 10), mu)
-
-    mod_lattice_cell = openmc.Cell(fill=lattice)
-
-    mod_lattice_uni = openmc.Universe()
-
-    mod_lattice_uni.add_cells([mod_lattice_cell])
-
-    ########################################
-    # Define 2x2 outer lattice
-    lattice2x2 = openmc.RectLattice()
-    lattice2x2.lower_left = [-pitch, -pitch]
-    lattice2x2.pitch = [pitch, pitch]
-    lattice2x2.universes = [
-        [pincell, pincell],
-        [pincell, mod_lattice_uni]
-    ]
-
-    ########################################
-    # Define cell containing lattice and other stuff
-    box = openmc.model.RectangularPrism(pitch*2, pitch*2, boundary_type='vacuum')
-
-    assembly = openmc.Cell(fill=lattice2x2, region=-box, name='assembly')
-
-    root = openmc.Universe(name='root universe')
-    root.add_cell(assembly)
-
-    # Create a geometry with the two cells and export to XML
-    geometry = openmc.Geometry(root)
-
-    ###############################################################################
-    # Define problem settings
-
-    # Instantiate a Settings object, set all runtime parameters, and export to XML
-    settings = openmc.Settings()
-    settings.energy_mode = "multi-group"
-    settings.batches = 10
-    settings.inactive = 5
-    settings.particles = 100
-
-    # Create an initial uniform spatial source distribution over fissionable zones
-    lower_left = (-pitch, -pitch, -1)
-    upper_right = (pitch, pitch, 1)
-    uniform_dist = openmc.stats.Box(lower_left, upper_right)
-    rr_source = openmc.IndependentSource(space=uniform_dist)
-
-    settings.random_ray['distance_active'] = 100.0
-    settings.random_ray['distance_inactive'] = 20.0
-    settings.random_ray['ray_source'] = rr_source
-    settings.random_ray['volume_normalized_flux_tallies'] = True
-
-    ###############################################################################
-    # Define tallies
-
-    # Create a mesh that will be used for tallying
-    mesh = openmc.RegularMesh()
-    mesh.dimension = (2, 2)
-    mesh.lower_left = (-pitch, -pitch)
-    mesh.upper_right = (pitch, pitch)
-
-    # Create a mesh filter that can be used in a tally
-    mesh_filter = openmc.MeshFilter(mesh)
-
-    # Create an energy group filter as well
-    energy_filter = openmc.EnergyFilter(group_edges)
-
-    # Now use the mesh filter in a tally and indicate what scores are desired
-    tally = openmc.Tally(name="Mesh tally")
-    tally.filters = [mesh_filter, energy_filter]
-    tally.scores = ['flux', 'fission', 'nu-fission']
-    tally.estimator = 'analog'
-
-    # Instantiate a Tallies collection and export to XML
-    tallies = openmc.Tallies([tally])
-
-    ###############################################################################
-    #                   Exporting to OpenMC model
-    ###############################################################################
-
-    model = openmc.Model()
-    model.geometry = geometry
-    model.materials = materials
-    model.settings = settings
-    model.tallies = tallies
-    return model
-
-
-def test_random_ray_vacuum():
-    harness = MGXSTestHarness('statepoint.10.h5', random_ray_model())
-    harness.main()

From b11f8b73ca3a53913d75846562c4a4457076a1ef Mon Sep 17 00:00:00 2001
From: John Vincent Cauilan <64677361+johvincau@users.noreply.github.com>
Date: Mon, 8 Jul 2024 09:37:17 -0500
Subject: [PATCH 2125/2654] Enforce sequence type when setting Setting.track
 (#3071)

---
 openmc/settings.py | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/openmc/settings.py b/openmc/settings.py
index b048c3a8b..9731f54ec 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -1,4 +1,4 @@
-from collections.abc import Iterable, Mapping, MutableSequence
+from collections.abc import Iterable, Mapping, MutableSequence, Sequence
 from enum import Enum
 import itertools
 from math import ceil
@@ -819,7 +819,7 @@ class Settings:
 
     @track.setter
     def track(self, track: typing.Iterable[typing.Iterable[int]]):
-        cv.check_type('track', track, Iterable)
+        cv.check_type('track', track, Sequence)
         for t in track:
             if len(t) != 3:
                 msg = f'Unable to set the track to "{t}" since its length is not 3'

From e74dc5037ebfc575a72ed963c2ab148fc374b5ee Mon Sep 17 00:00:00 2001
From: John Vincent Cauilan <64677361+johvincau@users.noreply.github.com>
Date: Mon, 8 Jul 2024 16:29:49 -0500
Subject: [PATCH 2126/2654] Enforce non-negative percents for
 material.add_nuclide to prevent unintended ao/wo flipping (#3075)

---
 openmc/material.py | 2 ++
 1 file changed, 2 insertions(+)

diff --git a/openmc/material.py b/openmc/material.py
index 6edc37216..4b871b77d 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -519,6 +519,7 @@ class Material(IDManagerMixin):
         cv.check_type('nuclide', nuclide, str)
         cv.check_type('percent', percent, Real)
         cv.check_value('percent type', percent_type, {'ao', 'wo'})
+        cv.check_greater_than('percent', percent, 0, equality=True)
 
         if self._macroscopic is not None:
             msg = 'Unable to add a Nuclide to Material ID="{}" as a ' \
@@ -727,6 +728,7 @@ class Material(IDManagerMixin):
 
         cv.check_type('nuclide', element, str)
         cv.check_type('percent', percent, Real)
+        cv.check_greater_than('percent', percent, 0, equality=True)
         cv.check_value('percent type', percent_type, {'ao', 'wo'})
 
         # Make sure element name is just that

From a5a26bb749d08618ea88e160af955890e799afe0 Mon Sep 17 00:00:00 2001
From: Nicolas Linden <57541749+nplinden@users.noreply.github.com>
Date: Tue, 9 Jul 2024 19:30:09 +0200
Subject: [PATCH 2127/2654] Add -DCMAKE_BUILD_TYPE=Release flag for MOAB in
 Dockerfile (#3077)

Co-authored-by: Nicolas Linden <n.linden@naarea.fr>
---
 Dockerfile | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/Dockerfile b/Dockerfile
index 107df4afe..35b9cf578 100644
--- a/Dockerfile
+++ b/Dockerfile
@@ -111,7 +111,8 @@ RUN if [ "$build_dagmc" = "on" ]; then \
         mkdir -p $HOME/MOAB && cd $HOME/MOAB \
         && git clone  --single-branch -b ${MOAB_TAG} --depth 1 ${MOAB_REPO} \
         && mkdir build && cd build \
-        && cmake ../moab -DENABLE_HDF5=ON \
+        && cmake ../moab -DCMAKE_BUILD_TYPE=Release \
+                      -DENABLE_HDF5=ON \
                       -DENABLE_NETCDF=ON \
                       -DBUILD_SHARED_LIBS=OFF \
                       -DENABLE_FORTRAN=OFF \

From cbec1ab035a4b4aaca8a102889de59a864b16813 Mon Sep 17 00:00:00 2001
From: John Vincent Cauilan <64677361+johvincau@users.noreply.github.com>
Date: Wed, 10 Jul 2024 17:04:09 -0500
Subject: [PATCH 2128/2654] Correct openmc.Geometry initializer to accept
 iterables of openmc.Cell (#3081)

---
 openmc/geometry.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/geometry.py b/openmc/geometry.py
index db927c46e..e37a69c73 100644
--- a/openmc/geometry.py
+++ b/openmc/geometry.py
@@ -41,7 +41,7 @@ class Geometry:
 
     def __init__(
         self,
-        root: typing.Optional[openmc.UniverseBase] = None,
+        root: openmc.UniverseBase | typing.Iterable[openmc.Cell] | None = None,
         merge_surfaces: bool = False,
         surface_precision: int = 10
     ):

From 2107af5e2fb279d4dc8842e7c6055e72ecd3da86 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Fri, 12 Jul 2024 20:17:25 +0200
Subject: [PATCH 2129/2654] Moving most of setup.py to pyproject.toml (#3074)

Co-authored-by: Jon Shimwell <jon@proximafusion.com>
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 .readthedocs.yaml         |  7 ++--
 docs/requirements-rtd.txt | 13 -------
 openmc/__init__.py        |  3 +-
 pyproject.toml            | 72 +++++++++++++++++++++++++++++++++++++++
 setup.py                  | 67 +-----------------------------------
 5 files changed, 80 insertions(+), 82 deletions(-)
 delete mode 100644 docs/requirements-rtd.txt

diff --git a/.readthedocs.yaml b/.readthedocs.yaml
index 98ca8b581..b7b69f9fe 100644
--- a/.readthedocs.yaml
+++ b/.readthedocs.yaml
@@ -3,11 +3,14 @@ version: 2
 build:
   os: "ubuntu-20.04"
   tools:
-    python: "3.9"
+    python: "3.10"
 
 sphinx:
   configuration: docs/source/conf.py
 
 python:
   install:
-    - requirements: docs/requirements-rtd.txt
+    - method: pip
+      path: .
+      extra_requirements:
+        - docs
diff --git a/docs/requirements-rtd.txt b/docs/requirements-rtd.txt
deleted file mode 100644
index df0333517..000000000
--- a/docs/requirements-rtd.txt
+++ /dev/null
@@ -1,13 +0,0 @@
-sphinx==5.0.2
-sphinx_rtd_theme==1.0.0
-sphinx-numfig
-jupyter
-sphinxcontrib-katex
-sphinxcontrib-svg2pdfconverter
-numpy
-scipy
-h5py
-pandas
-uncertainties
-matplotlib
-lxml
diff --git a/openmc/__init__.py b/openmc/__init__.py
index e589d35ef..566d28706 100644
--- a/openmc/__init__.py
+++ b/openmc/__init__.py
@@ -1,3 +1,4 @@
+import importlib.metadata
 from openmc.arithmetic import *
 from openmc.bounding_box import *
 from openmc.cell import *
@@ -40,4 +41,4 @@ from openmc.model import Model
 from . import examples
 
 
-__version__ = '0.15.1-dev'
+__version__ = importlib.metadata.version("openmc")
diff --git a/pyproject.toml b/pyproject.toml
index d5970617a..ca646323b 100644
--- a/pyproject.toml
+++ b/pyproject.toml
@@ -1,2 +1,74 @@
 [build-system]
 requires = ["setuptools", "wheel", "numpy", "cython"]
+
+[project]
+name = "openmc"
+authors = [
+    {name = "The OpenMC Development Team", email = "openmc@anl.gov"},
+]
+description = "OpenMC"
+version = "0.15.1-dev"
+requires-python = ">=3.10"
+license = {file = "LICENSE"}
+classifiers = [
+    "Development Status :: 4 - Beta",
+    "Intended Audience :: Developers",
+    "Intended Audience :: End Users/Desktop",
+    "Intended Audience :: Science/Research",
+    "License :: OSI Approved :: MIT License",
+    "Natural Language :: English",
+    "Topic :: Scientific/Engineering",
+    "Programming Language :: C++",
+    "Programming Language :: Python :: 3",
+    "Programming Language :: Python :: 3.10",
+    "Programming Language :: Python :: 3.11",
+    "Programming Language :: Python :: 3.12",
+]
+dependencies = [
+    "numpy",
+    "h5py",
+    "scipy",
+    "ipython",
+    "matplotlib",
+    "pandas",
+    "lxml",
+    "uncertainties",
+    "setuptools",
+]
+
+[project.optional-dependencies]
+depletion-mpi = ["mpi4py"]
+docs = [
+    "sphinx==5.0.2",
+    "sphinxcontrib-katex",
+    "sphinx-numfig",
+    "jupyter",
+    "sphinxcontrib-svg2pdfconverter",
+    "sphinx-rtd-theme==1.0.0"
+]
+test = ["pytest", "pytest-cov", "colorama", "openpyxl"]
+vtk = ["vtk"]
+
+[project.urls]
+Homepage = "https://openmc.org"
+Documentation = "https://docs.openmc.org"
+Repository = "https://github.com/openmc-dev/openmc"
+Issues = "https://github.com/openmc-dev/openmc/issues"
+
+[tool.setuptools.packages.find]
+include = ['openmc*', 'scripts*']
+exclude = ['tests*']
+
+[tool.setuptools.package-data]
+"openmc.data.effective_dose" = ["*.txt"]
+"openmc.data" = ["*.txt", "*.DAT", "*.json", "*.h5"]
+"openmc.lib" = ["libopenmc.dylib", "libopenmc.so"]
+
+[project.scripts]
+openmc-ace-to-hdf5 = "scripts.openmc_ace_to_hdf5:main"
+openmc-plot-mesh-tally = "scripts.openmc_plot_mesh_tally:main"
+openmc-track-combine = "scripts.openmc_track_combine:main"
+openmc-track-to-vtk = "scripts.openmc_track_to_vtk:main"
+openmc-update-inputs = "scripts.openmc_update_inputs:main"
+openmc-update-mgxs = "scripts.openmc_update_mgxs:main"
+openmc-voxel-to-vtk = "scripts.openmc_voxel_to_vtk:main"
diff --git a/setup.py b/setup.py
index de87e1490..4e24f48a1 100755
--- a/setup.py
+++ b/setup.py
@@ -1,76 +1,11 @@
 #!/usr/bin/env python
 
-import glob
-import sys
 import numpy as np
-
-from setuptools import setup, find_packages
+from setuptools import setup
 from Cython.Build import cythonize
 
 
-# Determine shared library suffix
-if sys.platform == 'darwin':
-    suffix = 'dylib'
-else:
-    suffix = 'so'
-
-# Get version information from __init__.py. This is ugly, but more reliable than
-# using an import.
-with open('openmc/__init__.py', 'r') as f:
-    version = f.readlines()[-1].split()[-1].strip("'")
-
 kwargs = {
-    'name': 'openmc',
-    'version': version,
-    'packages': find_packages(exclude=['tests*']),
-    'scripts': glob.glob('scripts/openmc-*'),
-
-    # Data files and libraries
-    'package_data': {
-        'openmc.lib': ['libopenmc.{}'.format(suffix)],
-        'openmc.data': ['mass_1.mas20.txt', 'BREMX.DAT', 'half_life.json', '*.h5'],
-        'openmc.data.effective_dose': ['*.txt']
-    },
-
-    # Metadata
-    'author': 'The OpenMC Development Team',
-    'author_email': 'openmc@anl.gov',
-    'description': 'OpenMC',
-    'url': 'https://openmc.org',
-    'download_url': 'https://github.com/openmc-dev/openmc/releases',
-    'project_urls': {
-        'Issue Tracker': 'https://github.com/openmc-dev/openmc/issues',
-        'Documentation': 'https://docs.openmc.org',
-        'Source Code': 'https://github.com/openmc-dev/openmc',
-    },
-    'classifiers': [
-        'Development Status :: 4 - Beta',
-        'Intended Audience :: Developers',
-        'Intended Audience :: End Users/Desktop',
-        'Intended Audience :: Science/Research',
-        'License :: OSI Approved :: MIT License',
-        'Natural Language :: English',
-        'Topic :: Scientific/Engineering'
-        'Programming Language :: C++',
-        'Programming Language :: Python :: 3',
-        'Programming Language :: Python :: 3.10',
-        'Programming Language :: Python :: 3.11',
-        'Programming Language :: Python :: 3.12',
-    ],
-
-    # Dependencies
-    'python_requires': '>=3.10',
-    'install_requires': [
-        'numpy>=1.9', 'h5py', 'scipy', 'ipython', 'matplotlib',
-        'pandas', 'lxml', 'uncertainties', 'setuptools'
-    ],
-    'extras_require': {
-        'depletion-mpi': ['mpi4py'],
-        'docs': ['sphinx', 'sphinxcontrib-katex', 'sphinx-numfig', 'jupyter',
-                 'sphinxcontrib-svg2pdfconverter', 'sphinx-rtd-theme'],
-        'test': ['pytest', 'pytest-cov', 'colorama', 'openpyxl'],
-        'vtk': ['vtk'],
-    },
     # Cython is used to add resonance reconstruction and fast float_endf
     'ext_modules': cythonize('openmc/data/*.pyx'),
     'include_dirs': [np.get_include()]

From 58f9092a68ec758240252c226720014c252b3039 Mon Sep 17 00:00:00 2001
From: John Vincent Cauilan <64677361+johvincau@users.noreply.github.com>
Date: Tue, 16 Jul 2024 16:59:16 -0500
Subject: [PATCH 2130/2654] Include batch statistics discussion in methodology
 introduction (#3076)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 docs/source/methods/tallies.rst | 16 +++++++++++++---
 1 file changed, 13 insertions(+), 3 deletions(-)

diff --git a/docs/source/methods/tallies.rst b/docs/source/methods/tallies.rst
index d833c157d..4b56d3955 100644
--- a/docs/source/methods/tallies.rst
+++ b/docs/source/methods/tallies.rst
@@ -4,9 +4,9 @@
 Tallies
 =======
 
-Note that the methods discussed in this section are written specifically for
-continuous-energy mode but equivalent apply to the multi-group mode if the
-particle's energy is replaced with the particle's group
+The methods discussed in this section are written specifically for continuous-
+energy mode. However, they can also apply to the multi-group mode if the
+particle's energy is instead interpreted as the particle's group.
 
 ------------------
 Filters and Scores
@@ -207,6 +207,8 @@ the change-in-angle), we must use an analog estimator.
 
 .. TODO: Add description of surface current tallies
 
+.. _tallies_statistics:
+
 ----------
 Statistics
 ----------
@@ -268,6 +270,14 @@ normal, log-normal, Weibull, etc. The central limit theorem states that as
 Estimating Statistics of a Random Variable
 ------------------------------------------
 
+After running OpenMC, each tallied quantity has a reported mean and standard
+deviation. The below sections explain how these quantities are computed. Note
+that OpenMC uses **batch statistics**, meaning that each observation for a tally
+random variable corresponds to the aggregation of tally contributions from
+multiple source particles that are grouped together into a single batch. See
+:ref:`usersguide_particles` for more information on how the number of source
+particles and statistical batches are specified.
+
 Mean
 ++++
 

From fd47df4bb23f011f2d3ab2b59597efa21d0258f6 Mon Sep 17 00:00:00 2001
From: Rufus <123552806+RufusN@users.noreply.github.com>
Date: Wed, 17 Jul 2024 01:53:40 +0100
Subject: [PATCH 2131/2654] Linear Source Random Ray (#3072)

Co-authored-by: John Tramm <john.tramm@gmail.com>
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 CMakeLists.txt                                |   2 +
 docs/source/methods/random_ray.rst            | 184 ++++++++++-
 docs/source/usersguide/random_ray.rst         |  28 ++
 include/openmc/constants.h                    |   2 +
 .../openmc/random_ray/flat_source_domain.h    |  21 +-
 .../openmc/random_ray/linear_source_domain.h  |  61 ++++
 include/openmc/random_ray/moment_matrix.h     |  90 ++++++
 include/openmc/random_ray/random_ray.h        |  13 +-
 .../openmc/random_ray/random_ray_simulation.h |   3 +-
 openmc/settings.py                            |   8 +
 src/random_ray/flat_source_domain.cpp         |  28 +-
 src/random_ray/linear_source_domain.cpp       | 269 ++++++++++++++++
 src/random_ray/moment_matrix.cpp              |  84 +++++
 src/random_ray/random_ray.cpp                 | 291 +++++++++++++++++-
 src/random_ray/random_ray_simulation.cpp      |  78 +++--
 src/settings.cpp                              |  13 +
 .../__init__.py                               |   0
 .../linear/inputs_true.dat                    | 245 +++++++++++++++
 .../linear/results_true.dat                   |   9 +
 .../linear_xy/inputs_true.dat                 | 245 +++++++++++++++
 .../linear_xy/results_true.dat                |   9 +
 .../random_ray_fixed_source_linear/test.py    |  27 ++
 .../random_ray_linear/__init__.py             |   0
 .../random_ray_linear/linear/inputs_true.dat  | 110 +++++++
 .../random_ray_linear/linear/results_true.dat | 171 ++++++++++
 .../linear_xy/inputs_true.dat                 | 110 +++++++
 .../linear_xy/results_true.dat                | 171 ++++++++++
 .../random_ray_linear/test.py                 |  26 ++
 28 files changed, 2235 insertions(+), 63 deletions(-)
 create mode 100644 include/openmc/random_ray/linear_source_domain.h
 create mode 100644 include/openmc/random_ray/moment_matrix.h
 create mode 100644 src/random_ray/linear_source_domain.cpp
 create mode 100644 src/random_ray/moment_matrix.cpp
 create mode 100644 tests/regression_tests/random_ray_fixed_source_linear/__init__.py
 create mode 100644 tests/regression_tests/random_ray_fixed_source_linear/linear/inputs_true.dat
 create mode 100644 tests/regression_tests/random_ray_fixed_source_linear/linear/results_true.dat
 create mode 100644 tests/regression_tests/random_ray_fixed_source_linear/linear_xy/inputs_true.dat
 create mode 100644 tests/regression_tests/random_ray_fixed_source_linear/linear_xy/results_true.dat
 create mode 100644 tests/regression_tests/random_ray_fixed_source_linear/test.py
 create mode 100644 tests/regression_tests/random_ray_linear/__init__.py
 create mode 100644 tests/regression_tests/random_ray_linear/linear/inputs_true.dat
 create mode 100644 tests/regression_tests/random_ray_linear/linear/results_true.dat
 create mode 100644 tests/regression_tests/random_ray_linear/linear_xy/inputs_true.dat
 create mode 100644 tests/regression_tests/random_ray_linear/linear_xy/results_true.dat
 create mode 100644 tests/regression_tests/random_ray_linear/test.py

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 3cbeaa024..0f4cc1b52 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -380,6 +380,8 @@ list(APPEND libopenmc_SOURCES
   src/random_ray/random_ray_simulation.cpp
   src/random_ray/random_ray.cpp
   src/random_ray/flat_source_domain.cpp
+  src/random_ray/linear_source_domain.cpp
+  src/random_ray/moment_matrix.cpp
   src/reaction.cpp
   src/reaction_product.cpp
   src/scattdata.cpp
diff --git a/docs/source/methods/random_ray.rst b/docs/source/methods/random_ray.rst
index 45af2b0c8..9f8eb84d8 100644
--- a/docs/source/methods/random_ray.rst
+++ b/docs/source/methods/random_ray.rst
@@ -218,9 +218,9 @@ Following the multigroup discretization, another assumption made is that a large
 and complex problem can be broken up into small constant cross section regions,
 and that these regions have group dependent, flat, isotropic sources (fission
 and scattering), :math:`Q_g`. Anisotropic as well as higher order sources are
-also possible with MOC-based methods but are not used yet in OpenMC for
-simplicity. With these key assumptions, the multigroup MOC form of the neutron
-transport equation can be written as in Equation :eq:`moc_final`.
+also possible with MOC-based methods. With these key assumptions, the multigroup
+MOC form of the neutron transport equation can be written as in Equation
+:eq:`moc_final`.
 
 .. math::
     :label: moc_final
@@ -287,7 +287,7 @@ final expression for the average angular flux for a ray crossing a region as:
 .. math::
     :label: average_psi_final
 
-    \overline{\psi}_{r,i,g} = \frac{Q_{i,g}}{\Sigma_{t,i,g}} + \frac{\Delta \psi_{r,g}}{\ell_r \Sigma_{t,i,g}}
+    \overline{\psi}_{r,i,g} = \frac{Q_{i,g}}{\Sigma_{t,i,g}} + \frac{\Delta \psi_{r,g}}{\ell_r \Sigma_{t,i,g}}.
 
 ~~~~~~~~~~~
 Random Rays
@@ -771,6 +771,170 @@ By default, the unnormalized flux values (units of cm) will be reported. If the
 user wishes to received volume normalized flux tallies, then an option for this
 is available, as described in the :ref:`User Guide<usersguide_flux_norm>`.
 
+--------------
+Linear Sources
+--------------
+
+Instead of making a flat source approximation, as in the previous section, a
+Linear Source (LS) approximation can be used. Different LS approximations have
+been developed; the OpenMC implementation follows the MOC LS scheme described by
+`Ferrer <Ferrer-2016_>`_. The LS source along a characteristic is given by:
+
+.. math::
+    :label: linear_source
+
+    Q_{i,g}(s) = \bar{Q}_{r,i,g} + \hat{Q}_{r,i,g}(s-\ell_{r}/2),
+
+where the source, :math:`Q_{i,g}(s)`, varies linearly along the track and
+:math:`\bar{Q}_{r,i,g}` and :math:`\hat{Q}_{r,i,g}` are track specific source
+terms to define shortly. Integrating the source, as done in Equation
+:eq:`moc_final`, leads to
+
+.. math::
+    :label: lsr_attenuation
+
+    \psi^{out}_{r,g}=\psi^{in}_{r,g} + \left(\frac{\bar{Q}_{r, i, g}}{\Sigma_{\mathrm{t}, i, g}}-\psi^{in}_{r,g}\right)
+    F_{1}\left(\tau_{i,g}\right)+\frac{\hat{Q}_{r, i, g}^{g}}{2\left(\Sigma_{\mathrm{t}, i,g}\right)^{2}} F_{2}\left(\tau_{i,g}\right),
+
+where for simplicity the term :math:`\tau_{i,g}` and the expoentials :math:`F_1`
+and :math:`F_2` are introduced, given by:
+
+.. math::
+    :label: tau
+
+    \tau_{i,g} = \Sigma_{\mathrm{t,i,g}} \ell_{r}
+
+.. math::
+    :label: f1
+
+    F_1(\tau) = 1 - e^{-\tau},
+
+and
+
+.. math::
+    :label: f2
+
+    F_{2}\left(\tau\right) = 2\left[\tau-F_{1}\left(\tau\right)\right]-\tau F_{1}\left(\tau\right).
+
+
+To solve for the track specific source terms in Equation :eq:`linear_source` we
+first define a local reference frame. If we now refer to :math:`\mathbf{r}` as
+the global coordinate and introduce the source region specific coordinate
+:math:`\mathbf{u}` such that,
+
+.. math::
+    :label: local_coord
+
+    \mathbf{u}_{r} = \mathbf{r}-\mathbf{r}_{\mathrm{c}},
+
+where :math:`\mathbf{r}_{\mathrm{c}}` is the centroid of the source region of
+interest. In turn :math:`\mathbf{u}_{r,\mathrm{c}}` and :math:`\mathbf{u}_{r,0}`
+are the local centroid and entry positions of a ray. The computation of the
+local and global centroids are described further by `Gunow <Gunow-2018_>`_.
+
+Using the local position, the source in a source region is given by:
+
+.. math::
+    :label: region_source
+
+    \tilde{Q}(\boldsymbol{x}) ={Q}_{i,g}+ \boldsymbol{\vec{Q}}_{i,g} \cdot \mathbf{u}_{r}\;\mathrm{,}
+
+This definition allows us to solve for our characteric source terms resulting in:
+
+.. math::
+    :label: source_term_1
+
+    \bar{Q}_{r, i, g} = Q_{i,g} + \left[\mathbf{u}_{r,\mathrm{c}} \cdot \boldsymbol{\vec{Q}}_{i,g}\right],
+
+.. math::
+    :label: source_term_2
+
+    \hat{Q}_{r, i, g} = \left[\boldsymbol{\Omega} \cdot \boldsymbol{\vec{Q}}_{i,g}\right]\;\mathrm{,}
+
+:math:`\boldsymbol{\Omega}` being the direction vector of the ray. The next step
+is to solve for the LS source vector :math:`\boldsymbol{\vec{Q}}_{i,g}`. A
+relationship between the LS source vector and the source moments,
+:math:`\boldsymbol{\vec{q}}_{i,g}` can be derived, as in `Ferrer
+<Ferrer-2016_>`_ and `Gunow <Gunow-2018_>`_:
+
+.. math::
+    :label: m_equation
+
+     \mathbf{M}_{i} \boldsymbol{\vec{Q}}_{i,g} = \boldsymbol{\vec{q}}_{i,g} \;\mathrm{.}
+
+The spatial moments matrix :math:`M_i` in region :math:`i` represents the
+spatial distribution of the 3D object composing the `source region
+<Gunow-2018_>`_. This matrix is independent of the material of the source
+region, fluxes, and any transport effects -- it is a purely geometric quantity.
+It is a symmetric :math:`3\times3` matrix. While :math:`M_i` is not known
+apriori to the simulation, similar to the source region volume, it can be
+computed "on-the-fly" as a byproduct of the random ray integration process. Each
+time a ray randomly crosses the region within its active length, an estimate of
+the spatial moments matrix can be computed by using the midpoint of the ray as
+an estimate of the centroid, and the distance and direction of the ray can be
+used to inform the other spatial moments within the matrix. As this information
+is purely geometric, the stochastic estimate of the centroid and spatial moments
+matrix can be accumulated and improved over the entire duration of the
+simulation, converging towards their true quantities.
+
+With an estimate of the spatial moments matrix :math:`M_i` resulting from the
+ray tracing process naturally, the LS source vector
+:math:`\boldsymbol{\vec{Q}}_{i,g}` can be obtained via a linear solve of
+:eq:`m_equation`, or by the direct inversion of :math:`M_i`. However, to
+accomplish this, we must first know the source moments
+:math:`\boldsymbol{\vec{q}}_{i,g}`. Fortunately, the source moments are also
+defined by the definition of the source:
+
+.. math::
+    :label: source_moments
+
+    q_{v, i, g}= \frac{\chi_{i,g}}{k_{eff}} \sum_{g^{\prime}=1}^{G} \nu
+    \Sigma_{\mathrm{f},i, g^{\prime}} \hat{\phi}_{v, i, g^{\prime}} + \sum_{g^{\prime}=1}^{G}
+    \Sigma_{\mathrm{s}, i, g^{\prime}\rightarrow g} \hat{\phi}_{v, i, g^{\prime}}\quad \forall v \in(x, y, z)\;\mathrm{,}
+
+where :math:`v` indicates the direction vector component, and we have introduced
+the scalar flux moments :math:`\hat{\phi}`. The scalar flux moments can be
+solved for by taking the `integral definition <Gunow-2018_>`_ of a spatial
+moment, allowing us to derive a "simulation averaged" estimator for the scalar
+moment, as in Equation :eq:`phi_sim`,
+
+.. math::
+    :label: scalar_moments_sim
+
+    \hat{\phi}_{v,i,g}^{simulation} = \frac{\sum\limits_{r=1}^{N_i}
+    \ell_{r} \left[\Omega_{v} \hat{\psi}_{r,i,g} + u_{r,v,0} \bar{\psi}_{r,i,g}\right]}
+    {\Sigma_{t,i,g} \frac{\sum\limits^{B}_{b}\sum\limits^{N_i}_{r} \ell_{b,r} }{B}}
+    \quad \forall v \in(x, y, z)\;\mathrm{,}
+
+
+where the average angular flux is given by Equation :eq:`average_psi_final`, and
+the angular flux spatial moments :math:`\hat{\psi}_{r,i,g}` by:
+
+.. math::
+    :label: angular_moments
+
+    \hat{\psi}_{r, i, g} = \frac{\ell_{r}\psi^{in}_{r,g}}{2} +
+    \left(\frac{\bar{Q}_{r,i, g}}{\Sigma_{\mathrm{t}, i, g}}-\psi^{in}_{r,g}\right)
+    \frac{G_{1}\left(\tau_{i,g}\right)}{\Sigma_{\mathrm{t}, i, g}} + \frac{\ell_{r}\hat{Q}_{r,i,g}}
+    {2\left(\Sigma_{\mathrm{t}, i, g}\right)^{2}}G_{2}\left(\tau_{i,g}\right)\;\mathrm{.}
+
+
+The new exponentials introduced, again for simplicity, are simply:
+
+.. math::
+    :label: G1
+
+    G_{1}(\tau) = 1+\frac{\tau}{2}-\left(1+\frac{1}{\tau}\right) F_{1}(\tau),
+
+.. math::
+    :label: G2
+
+    G_{2}(\tau) = \frac{2}{3} \tau-\left(1+\frac{2}{\tau}\right) G_{1}(\tau)
+
+The contents of this section, alongside the equations for the flat source and
+scalar flux, Equations :eq:`source_update` and :eq:`phi_sim` respectively,
+completes the set of equations for LS.
+
 .. _methods-shannon-entropy-random-ray:
 
 -----------------------------
@@ -789,7 +953,7 @@ sources is adjusted such that:
     :label: fraction-source-random-ray
 
     S_i = \frac{\text{Fission source in FSR $i \times$ Volume of FSR
-    $i$}}{\text{Total fission source}} = \frac{Q_{i} V_{i}}{\sum_{i=1}^{i=N} 
+    $i$}}{\text{Total fission source}} = \frac{Q_{i} V_{i}}{\sum_{i=1}^{i=N}
     Q_{i} V_{i}}
 
 The Shannon entropy is then computed normally as
@@ -852,13 +1016,13 @@ in random ray particle transport are:
       areas typically have solutions that are highly effective at mitigating
       bias, error stemming from multigroup energy discretization is much harder
       to remedy.
-    - **Flat Source Approximation:**. In OpenMC, a "flat" (0th order) source
-      approximation is made, wherein the scattering and fission sources within a
+    - **Source Approximation:**. In OpenMC, a "flat" (0th order) source
+      approximation is often made, wherein the scattering and fission sources within a
       cell are assumed to be spatially uniform. As the source in reality is a
       continuous function, this leads to bias, although the bias can be reduced
       to acceptable levels if the flat source regions are sufficiently small.
-      The bias can also be mitigated by assuming a higher-order source (e.g.,
-      linear or quadratic), although OpenMC does not yet have this capability.
+      The bias can also be mitigated by assuming a higher-order source such as the
+      linear source approximation currently implemented into OpenMC.
       In practical terms, this source of bias can become very large if cells are
       large (with dimensions beyond that of a typical particle mean free path),
       but the subdivision of cells can often reduce this bias to trivial levels.
@@ -882,6 +1046,8 @@ in random ray particle transport are:
 .. _Tramm-2018: https://dspace.mit.edu/handle/1721.1/119038
 .. _Tramm-2020: https://doi.org/10.1051/EPJCONF/202124703021
 .. _Cosgrove-2023: https://doi.org/10.1080/00295639.2023.2270618
+.. _Ferrer-2016: https://doi.org/10.13182/NSE15-6
+.. _Gunow-2018: https://dspace.mit.edu/handle/1721.1/119030
 
 .. only:: html
 
diff --git a/docs/source/usersguide/random_ray.rst b/docs/source/usersguide/random_ray.rst
index 6df132859..117d5e23f 100644
--- a/docs/source/usersguide/random_ray.rst
+++ b/docs/source/usersguide/random_ray.rst
@@ -447,6 +447,34 @@ in the `OpenMC Jupyter notebook collection
     separate materials can be defined each with a separate multigroup dataset
     corresponding to a given temperature.
 
+--------------
+Linear Sources
+--------------
+
+Linear Sources (LS), are supported with the eigenvalue and fixed source random
+ray solvers. General 3D LS can be toggled by setting the ``source_shape`` field
+in the :attr:`openmc.Settings.random_ray` dictionary to ``'linear'`` as::
+
+    settings.random_ray['source_shape'] = 'linear'
+
+LS enables the use of coarser mesh discretizations and lower ray populations,
+offsetting the increased computation per ray.
+
+While OpenMC has no specific mode for 2D simulations, such simulations can be
+performed implicitly by leaving one of the dimensions of the geometry unbounded
+or by imposing reflective boundary conditions with no variation in between them
+in that dimension. When 3D linear sources are used in a 2D random ray
+simulation, the extremely long (or potentially infinite) spatial dimension along
+one of the axes can cause the linear source to become noisy, leading to
+potentially large increases in variance. To mitigate this, the user can force
+the z-terms of the linear source to zero by setting the ``source_shape`` field
+as::
+
+    settings.random_ray['source_shape'] = 'linear_xy'
+
+which will greatly improve the quality of the linear source term in 2D
+simulations.
+
 ---------------------------------
 Fixed Source and Eigenvalue Modes
 ---------------------------------
diff --git a/include/openmc/constants.h b/include/openmc/constants.h
index 1c683e5f5..e502506c9 100644
--- a/include/openmc/constants.h
+++ b/include/openmc/constants.h
@@ -342,6 +342,8 @@ enum class RunMode {
 
 enum class SolverType { MONTE_CARLO, RANDOM_RAY };
 
+enum class RandomRaySourceShape { FLAT, LINEAR, LINEAR_XY };
+
 //==============================================================================
 // Geometry Constants
 
diff --git a/include/openmc/random_ray/flat_source_domain.h b/include/openmc/random_ray/flat_source_domain.h
index 519384040..33c5661dc 100644
--- a/include/openmc/random_ray/flat_source_domain.h
+++ b/include/openmc/random_ray/flat_source_domain.h
@@ -89,25 +89,28 @@ struct TallyTask {
 class FlatSourceDomain {
 public:
   //----------------------------------------------------------------------------
-  // Constructors
+  // Constructors and Destructors
   FlatSourceDomain();
+  virtual ~FlatSourceDomain() = default;
 
   //----------------------------------------------------------------------------
   // Methods
-  void update_neutron_source(double k_eff);
+  virtual void update_neutron_source(double k_eff);
   double compute_k_eff(double k_eff_old) const;
-  void normalize_scalar_flux_and_volumes(
+  virtual void normalize_scalar_flux_and_volumes(
     double total_active_distance_per_iteration);
-  int64_t add_source_to_scalar_flux();
-  void batch_reset();
+  virtual int64_t add_source_to_scalar_flux();
+  virtual void batch_reset();
   void convert_source_regions_to_tallies();
   void reset_tally_volumes();
   void random_ray_tally();
-  void accumulate_iteration_flux();
+  virtual void accumulate_iteration_flux();
   void output_to_vtk() const;
-  void all_reduce_replicated_source_regions();
+  virtual void all_reduce_replicated_source_regions();
   void convert_external_sources();
   void count_external_source_regions();
+  virtual void flux_swap();
+  virtual double evaluate_flux_at_point(Position r, int64_t sr, int g) const;
   double compute_fixed_source_normalization_factor() const;
 
   //----------------------------------------------------------------------------
@@ -131,6 +134,7 @@ public:
   vector<OpenMPMutex> lock_;
   vector<int> was_hit_;
   vector<double> volume_;
+  vector<double> volume_t_;
   vector<int> position_recorded_;
   vector<Position> position_;
 
@@ -141,7 +145,7 @@ public:
   vector<float> source_;
   vector<float> external_source_;
 
-private:
+protected:
   //----------------------------------------------------------------------------
   // Methods
   void apply_external_source_to_source_region(
@@ -174,7 +178,6 @@ private:
 
   // 1D arrays representing values for all source regions
   vector<int> material_;
-  vector<double> volume_t_;
 
   // 2D arrays stored in 1D representing values for all source regions x energy
   // groups
diff --git a/include/openmc/random_ray/linear_source_domain.h b/include/openmc/random_ray/linear_source_domain.h
new file mode 100644
index 000000000..5010ffddd
--- /dev/null
+++ b/include/openmc/random_ray/linear_source_domain.h
@@ -0,0 +1,61 @@
+#ifndef OPENMC_RANDOM_RAY_LINEAR_SOURCE_DOMAIN_H
+#define OPENMC_RANDOM_RAY_LINEAR_SOURCE_DOMAIN_H
+
+#include "openmc/random_ray/flat_source_domain.h"
+#include "openmc/random_ray/moment_matrix.h"
+
+#include "openmc/openmp_interface.h"
+#include "openmc/position.h"
+#include "openmc/source.h"
+
+namespace openmc {
+
+/*
+ * The LinearSourceDomain class encompasses data and methods for storing
+ * scalar flux and source region for all linear source regions in a
+ * random ray simulation domain.
+ */
+
+class LinearSourceDomain : public FlatSourceDomain {
+public:
+  //----------------------------------------------------------------------------
+  // Constructors
+  LinearSourceDomain();
+
+  //----------------------------------------------------------------------------
+  // Methods
+  void update_neutron_source(double k_eff) override;
+  double compute_k_eff(double k_eff_old) const;
+  void normalize_scalar_flux_and_volumes(
+    double total_active_distance_per_iteration) override;
+  int64_t add_source_to_scalar_flux() override;
+  void batch_reset() override;
+  void convert_source_regions_to_tallies();
+  void reset_tally_volumes();
+  void random_ray_tally();
+  void accumulate_iteration_flux() override;
+  void output_to_vtk() const;
+  void all_reduce_replicated_source_regions() override;
+  void convert_external_sources();
+  void count_external_source_regions();
+  void flux_swap() override;
+  double evaluate_flux_at_point(Position r, int64_t sr, int g) const override;
+
+  //----------------------------------------------------------------------------
+  // Public Data members
+
+  vector<MomentArray> source_gradients_;
+  vector<MomentArray> flux_moments_old_;
+  vector<MomentArray> flux_moments_new_;
+  vector<MomentArray> flux_moments_t_;
+  vector<Position> centroid_;
+  vector<Position> centroid_iteration_;
+  vector<Position> centroid_t_;
+  vector<MomentMatrix> mom_matrix_;
+  vector<MomentMatrix> mom_matrix_t_;
+
+}; // class LinearSourceDomain
+
+} // namespace openmc
+
+#endif // OPENMC_RANDOM_RAY_LINEAR_SOURCE_DOMAIN_H
diff --git a/include/openmc/random_ray/moment_matrix.h b/include/openmc/random_ray/moment_matrix.h
new file mode 100644
index 000000000..c95bb2c12
--- /dev/null
+++ b/include/openmc/random_ray/moment_matrix.h
@@ -0,0 +1,90 @@
+#ifndef OPENMC_MOMENT_MATRIX_H
+#define OPENMC_MOMENT_MATRIX_H
+
+#include <array>
+
+#include "openmc/position.h"
+
+namespace openmc {
+
+// The MomentArray class is a 3-element array representing the x, y, and z
+// moments. It is defined as an alias for the Position class to allow for
+// dot products and other operations with Position objects.
+// TODO: This class could in theory have 32-bit instead of 64-bit FP values.
+using MomentArray = Position;
+
+// The MomentMatrix class is a sparse representation a 3x3 symmetric
+// matrix, with elements labeled as follows:
+//
+// | a b c |
+// | b d e |
+// | c e f |
+//
+// This class uses FP64 values as objects that are accumulated to over many
+// iterations.
+class MomentMatrix {
+public:
+  //----------------------------------------------------------------------------
+  // Public data members
+  double a;
+  double b;
+  double c;
+  double d;
+  double e;
+  double f;
+
+  //----------------------------------------------------------------------------
+  // Constructors
+  MomentMatrix() = default;
+  MomentMatrix(double a, double b, double c, double d, double e, double f)
+    : a {a}, b {b}, c {c}, d {d}, e {e}, f {f}
+  {}
+
+  //----------------------------------------------------------------------------
+  // Methods
+  MomentMatrix inverse() const;
+  double determinant() const;
+  void compute_spatial_moments_matrix(
+    const Position& r, const Direction& u, const double& distance);
+
+  inline void set_to_zero() { a = b = c = d = e = f = 0; }
+
+  inline MomentMatrix& operator*=(double x)
+  {
+    a *= x;
+    b *= x;
+    c *= x;
+    d *= x;
+    e *= x;
+    f *= x;
+    return *this;
+  }
+
+  inline MomentMatrix operator*(double x) const
+  {
+    MomentMatrix m_copy = *this;
+    m_copy *= x;
+    return m_copy;
+  }
+
+  inline MomentMatrix& operator+=(const MomentMatrix& rhs)
+  {
+    a += rhs.a;
+    b += rhs.b;
+    c += rhs.c;
+    d += rhs.d;
+    e += rhs.e;
+    f += rhs.f;
+    return *this;
+  }
+
+  MomentArray operator*(const MomentArray& rhs) const
+  {
+    return {a * rhs.x + b * rhs.y + c * rhs.z,
+      b * rhs.x + d * rhs.y + e * rhs.z, c * rhs.x + e * rhs.y + f * rhs.z};
+  }
+};
+
+} // namespace openmc
+
+#endif // OPENMC_MOMENT_MATRIX_H
diff --git a/include/openmc/random_ray/random_ray.h b/include/openmc/random_ray/random_ray.h
index 5ee64574e..913a9af4a 100644
--- a/include/openmc/random_ray/random_ray.h
+++ b/include/openmc/random_ray/random_ray.h
@@ -4,6 +4,7 @@
 #include "openmc/memory.h"
 #include "openmc/particle.h"
 #include "openmc/random_ray/flat_source_domain.h"
+#include "openmc/random_ray/moment_matrix.h"
 #include "openmc/source.h"
 
 namespace openmc {
@@ -25,14 +26,18 @@ public:
   // Methods
   void event_advance_ray();
   void attenuate_flux(double distance, bool is_active);
+  void attenuate_flux_flat_source(double distance, bool is_active);
+  void attenuate_flux_linear_source(double distance, bool is_active);
+
   void initialize_ray(uint64_t ray_id, FlatSourceDomain* domain);
   uint64_t transport_history_based_single_ray();
 
   //----------------------------------------------------------------------------
   // Static data members
-  static double distance_inactive_;      // Inactive (dead zone) ray length
-  static double distance_active_;        // Active ray length
-  static unique_ptr<Source> ray_source_; // Starting source for ray sampling
+  static double distance_inactive_;          // Inactive (dead zone) ray length
+  static double distance_active_;            // Active ray length
+  static unique_ptr<Source> ray_source_;     // Starting source for ray sampling
+  static RandomRaySourceShape source_shape_; // Flag for linear source
 
   //----------------------------------------------------------------------------
   // Public data members
@@ -42,6 +47,8 @@ private:
   //----------------------------------------------------------------------------
   // Private data members
   vector<float> delta_psi_;
+  vector<MomentArray> delta_moments_;
+
   int negroups_;
   FlatSourceDomain* domain_ {nullptr}; // pointer to domain that has flat source
                                        // data needed for ray transport
diff --git a/include/openmc/random_ray/random_ray_simulation.h b/include/openmc/random_ray/random_ray_simulation.h
index b439574bf..c1d47821d 100644
--- a/include/openmc/random_ray/random_ray_simulation.h
+++ b/include/openmc/random_ray/random_ray_simulation.h
@@ -2,6 +2,7 @@
 #define OPENMC_RANDOM_RAY_SIMULATION_H
 
 #include "openmc/random_ray/flat_source_domain.h"
+#include "openmc/random_ray/linear_source_domain.h"
 
 namespace openmc {
 
@@ -31,7 +32,7 @@ public:
   // Data members
 private:
   // Contains all flat source region data
-  FlatSourceDomain domain_;
+  unique_ptr<FlatSourceDomain> domain_;
 
   // Random ray eigenvalue
   double k_eff_ {1.0};
diff --git a/openmc/settings.py b/openmc/settings.py
index 9731f54ec..807662581 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -157,6 +157,9 @@ class Settings:
         :ray_source:
             Starting ray distribution (must be uniform in space and angle) as
             specified by a :class:`openmc.SourceBase` object.
+        :source_shape:
+            Assumed shape of the source distribution within each source
+            region. Options are 'flat' (default), 'linear', or 'linear_xy'.
         :volume_normalized_flux_tallies:
             Whether to normalize flux tallies by volume (bool). The default
             is 'False'. When enabled, flux tallies will be reported in units of
@@ -1090,6 +1093,9 @@ class Settings:
                                       random_ray[key], 0.0, True)
             elif key == 'ray_source':
                 cv.check_type('random ray source', random_ray[key], SourceBase)
+            elif key == 'source_shape':
+                cv.check_value('source shape', random_ray[key],
+                               ('flat', 'linear', 'linear_xy'))
             elif key == 'volume_normalized_flux_tallies':
                 cv.check_type('volume normalized flux tallies', random_ray[key], bool)
             else:
@@ -1885,6 +1891,8 @@ class Settings:
                 elif child.tag == 'source':
                     source = SourceBase.from_xml_element(child)
                     self.random_ray['ray_source'] = source
+                elif child.tag == 'source_shape':
+                    self.random_ray['source_shape'] = child.text
                 elif child.tag == 'volume_normalized_flux_tallies':
                     self.random_ray['volume_normalized_flux_tallies'] = (
                         child.text in ('true', '1')
diff --git a/src/random_ray/flat_source_domain.cpp b/src/random_ray/flat_source_domain.cpp
index 29b72c77b..8b6cda93f 100644
--- a/src/random_ray/flat_source_domain.cpp
+++ b/src/random_ray/flat_source_domain.cpp
@@ -751,6 +751,13 @@ void FlatSourceDomain::all_reduce_replicated_source_regions()
 #endif
 }
 
+double FlatSourceDomain::evaluate_flux_at_point(
+  Position r, int64_t sr, int g) const
+{
+  return scalar_flux_final_[sr * negroups_ + g] /
+         (settings::n_batches - settings::n_inactive);
+}
+
 // Outputs all basic material, FSR ID, multigroup flux, and
 // fission source data to .vtk file that can be directly
 // loaded and displayed by Paraview. Note that .vtk binary
@@ -811,6 +818,7 @@ void FlatSourceDomain::output_to_vtk() const
 
     // Relate voxel spatial locations to random ray source regions
     vector<int> voxel_indices(Nx * Ny * Nz);
+    vector<Position> voxel_positions(Nx * Ny * Nz);
 
 #pragma omp parallel for collapse(3)
     for (int z = 0; z < Nz; z++) {
@@ -827,6 +835,7 @@ void FlatSourceDomain::output_to_vtk() const
           int64_t source_region_idx =
             source_region_offsets_[i_cell] + p.cell_instance();
           voxel_indices[z * Ny * Nx + y * Nx + x] = source_region_idx;
+          voxel_positions[z * Ny * Nx + y * Nx + x] = sample;
         }
       }
     }
@@ -851,11 +860,10 @@ void FlatSourceDomain::output_to_vtk() const
     for (int g = 0; g < negroups_; g++) {
       std::fprintf(plot, "SCALARS flux_group_%d float\n", g);
       std::fprintf(plot, "LOOKUP_TABLE default\n");
-      for (int fsr : voxel_indices) {
+      for (int i = 0; i < Nx * Ny * Nz; i++) {
+        int64_t fsr = voxel_indices[i];
         int64_t source_element = fsr * negroups_ + g;
-        float flux =
-          scalar_flux_final_[source_element] * source_normalization_factor;
-        flux /= (settings::n_batches - settings::n_inactive);
+        float flux = evaluate_flux_at_point(voxel_positions[i], fsr, g);
         flux = convert_to_big_endian<float>(flux);
         std::fwrite(&flux, sizeof(float), 1, plot);
       }
@@ -882,14 +890,14 @@ void FlatSourceDomain::output_to_vtk() const
     // Plot fission source
     std::fprintf(plot, "SCALARS total_fission_source float\n");
     std::fprintf(plot, "LOOKUP_TABLE default\n");
-    for (int fsr : voxel_indices) {
+    for (int i = 0; i < Nx * Ny * Nz; i++) {
+      int64_t fsr = voxel_indices[i];
+
       float total_fission = 0.0;
       int mat = material_[fsr];
       for (int g = 0; g < negroups_; g++) {
         int64_t source_element = fsr * negroups_ + g;
-        float flux =
-          scalar_flux_final_[source_element] * source_normalization_factor;
-        flux /= (settings::n_batches - settings::n_inactive);
+        float flux = evaluate_flux_at_point(voxel_positions[i], fsr, g);
         float Sigma_f = data::mg.macro_xs_[mat].get_xs(
           MgxsType::FISSION, g, nullptr, nullptr, nullptr, 0, 0);
         total_fission += Sigma_f * flux;
@@ -1027,5 +1035,9 @@ void FlatSourceDomain::convert_external_sources()
     }
   }
 }
+void FlatSourceDomain::flux_swap()
+{
+  scalar_flux_old_.swap(scalar_flux_new_);
+}
 
 } // namespace openmc
diff --git a/src/random_ray/linear_source_domain.cpp b/src/random_ray/linear_source_domain.cpp
new file mode 100644
index 000000000..1603ec24a
--- /dev/null
+++ b/src/random_ray/linear_source_domain.cpp
@@ -0,0 +1,269 @@
+#include "openmc/random_ray/linear_source_domain.h"
+
+#include "openmc/cell.h"
+#include "openmc/geometry.h"
+#include "openmc/material.h"
+#include "openmc/message_passing.h"
+#include "openmc/mgxs_interface.h"
+#include "openmc/output.h"
+#include "openmc/plot.h"
+#include "openmc/random_ray/random_ray.h"
+#include "openmc/simulation.h"
+#include "openmc/tallies/filter.h"
+#include "openmc/tallies/tally.h"
+#include "openmc/tallies/tally_scoring.h"
+#include "openmc/timer.h"
+
+namespace openmc {
+
+//==============================================================================
+// LinearSourceDomain implementation
+//==============================================================================
+
+LinearSourceDomain::LinearSourceDomain() : FlatSourceDomain()
+{
+  // First order spatial moment of the scalar flux
+  flux_moments_old_.assign(n_source_elements_, {0.0, 0.0, 0.0});
+  flux_moments_new_.assign(n_source_elements_, {0.0, 0.0, 0.0});
+  flux_moments_t_.assign(n_source_elements_, {0.0, 0.0, 0.0});
+  // Source gradients given by M inverse multiplied by source moments
+  source_gradients_.assign(n_source_elements_, {0.0, 0.0, 0.0});
+
+  centroid_.assign(n_source_regions_, {0.0, 0.0, 0.0});
+  centroid_iteration_.assign(n_source_regions_, {0.0, 0.0, 0.0});
+  centroid_t_.assign(n_source_regions_, {0.0, 0.0, 0.0});
+  mom_matrix_.assign(n_source_regions_, {0.0, 0.0, 0.0, 0.0, 0.0, 0.0});
+  mom_matrix_t_.assign(n_source_regions_, {0.0, 0.0, 0.0, 0.0, 0.0, 0.0});
+}
+
+void LinearSourceDomain::batch_reset()
+{
+  FlatSourceDomain::batch_reset();
+#pragma omp parallel for
+  for (int64_t se = 0; se < n_source_elements_; se++) {
+    flux_moments_new_[se] = {0.0, 0.0, 0.0};
+  }
+#pragma omp parallel for
+  for (int64_t sr = 0; sr < n_source_regions_; sr++) {
+    centroid_iteration_[sr] = {0.0, 0.0, 0.0};
+    mom_matrix_[sr] = {0.0, 0.0, 0.0, 0.0, 0.0, 0.0};
+  }
+}
+
+void LinearSourceDomain::update_neutron_source(double k_eff)
+{
+  simulation::time_update_src.start();
+
+  double inverse_k_eff = 1.0 / k_eff;
+
+  // Temperature and angle indices, if using multiple temperature
+  // data sets and/or anisotropic data sets.
+  // TODO: Currently assumes we are only using single temp/single
+  // angle data.
+  const int t = 0;
+  const int a = 0;
+
+#pragma omp parallel for
+  for (int sr = 0; sr < n_source_regions_; sr++) {
+
+    int material = material_[sr];
+    MomentMatrix invM = mom_matrix_[sr].inverse();
+
+    for (int e_out = 0; e_out < negroups_; e_out++) {
+      float sigma_t = data::mg.macro_xs_[material].get_xs(
+        MgxsType::TOTAL, e_out, nullptr, nullptr, nullptr, t, a);
+
+      float scatter_flat = 0.0f;
+      float fission_flat = 0.0f;
+      MomentArray scatter_linear = {0.0, 0.0, 0.0};
+      MomentArray fission_linear = {0.0, 0.0, 0.0};
+
+      for (int e_in = 0; e_in < negroups_; e_in++) {
+        // Handles for the flat and linear components of the flux
+        float flux_flat = scalar_flux_old_[sr * negroups_ + e_in];
+        MomentArray flux_linear = flux_moments_old_[sr * negroups_ + e_in];
+
+        // Handles for cross sections
+        float sigma_s = data::mg.macro_xs_[material].get_xs(
+          MgxsType::NU_SCATTER, e_in, &e_out, nullptr, nullptr, t, a);
+        float nu_sigma_f = data::mg.macro_xs_[material].get_xs(
+          MgxsType::NU_FISSION, e_in, nullptr, nullptr, nullptr, t, a);
+        float chi = data::mg.macro_xs_[material].get_xs(
+          MgxsType::CHI_PROMPT, e_in, &e_out, nullptr, nullptr, t, a);
+
+        // Compute source terms for flat and linear components of the flux
+        scatter_flat += sigma_s * flux_flat;
+        fission_flat += nu_sigma_f * flux_flat * chi;
+        scatter_linear += sigma_s * flux_linear;
+        fission_linear += nu_sigma_f * flux_linear * chi;
+      }
+
+      // Compute the flat source term
+      source_[sr * negroups_ + e_out] =
+        (scatter_flat + fission_flat * inverse_k_eff) / sigma_t;
+
+      // Compute the linear source terms
+      if (simulation::current_batch > 2) {
+        source_gradients_[sr * negroups_ + e_out] =
+          invM * ((scatter_linear + fission_linear * inverse_k_eff) / sigma_t);
+      }
+    }
+  }
+
+  if (settings::run_mode == RunMode::FIXED_SOURCE) {
+// Add external source to flat source term if in fixed source mode
+#pragma omp parallel for
+    for (int se = 0; se < n_source_elements_; se++) {
+      source_[se] += external_source_[se];
+    }
+  }
+
+  simulation::time_update_src.stop();
+}
+
+void LinearSourceDomain::normalize_scalar_flux_and_volumes(
+  double total_active_distance_per_iteration)
+{
+  float normalization_factor = 1.0 / total_active_distance_per_iteration;
+  double volume_normalization_factor =
+    1.0 / (total_active_distance_per_iteration * simulation::current_batch);
+
+// Normalize flux to total distance travelled by all rays this iteration
+#pragma omp parallel for
+  for (int64_t e = 0; e < scalar_flux_new_.size(); e++) {
+    scalar_flux_new_[e] *= normalization_factor;
+    flux_moments_new_[e] *= normalization_factor;
+  }
+
+// Accumulate cell-wise ray length tallies collected this iteration, then
+// update the simulation-averaged cell-wise volume estimates
+#pragma omp parallel for
+  for (int64_t sr = 0; sr < n_source_regions_; sr++) {
+    centroid_t_[sr] += centroid_iteration_[sr];
+    mom_matrix_t_[sr] += mom_matrix_[sr];
+    volume_t_[sr] += volume_[sr];
+    volume_[sr] = volume_t_[sr] * volume_normalization_factor;
+    if (volume_t_[sr] > 0.0) {
+      double inv_volume = 1.0 / volume_t_[sr];
+      centroid_[sr] = centroid_t_[sr];
+      centroid_[sr] *= inv_volume;
+      mom_matrix_[sr] = mom_matrix_t_[sr];
+      mom_matrix_[sr] *= inv_volume;
+    }
+  }
+}
+
+int64_t LinearSourceDomain::add_source_to_scalar_flux()
+{
+  int64_t n_hits = 0;
+
+  // Temperature and angle indices, if using multiple temperature
+  // data sets and/or anisotropic data sets.
+  // TODO: Currently assumes we are only using single temp/single
+  // angle data.
+  const int t = 0;
+  const int a = 0;
+
+#pragma omp parallel for reduction(+ : n_hits)
+  for (int sr = 0; sr < n_source_regions_; sr++) {
+
+    double volume = volume_[sr];
+    int material = material_[sr];
+
+    // Check if this cell was hit this iteration
+    int was_cell_hit = was_hit_[sr];
+    if (was_cell_hit) {
+      n_hits++;
+    }
+
+    for (int g = 0; g < negroups_; g++) {
+      int64_t idx = (sr * negroups_) + g;
+      // There are three scenarios we need to consider:
+      if (was_cell_hit) {
+        // 1. If the FSR was hit this iteration, then the new flux is equal to
+        // the flat source from the previous iteration plus the contributions
+        // from rays passing through the source region (computed during the
+        // transport sweep)
+        scalar_flux_new_[idx] /= volume;
+        scalar_flux_new_[idx] += source_[idx];
+        flux_moments_new_[idx] *= (1.0 / volume);
+      } else if (volume > 0.0) {
+        // 2. If the FSR was not hit this iteration, but has been hit some
+        // previous iteration, then we simply set the new scalar flux to be
+        // equal to the contribution from the flat source alone.
+        scalar_flux_new_[idx] = source_[idx];
+      } else {
+        // If the FSR was not hit this iteration, and it has never been hit in
+        // any iteration (i.e., volume is zero), then we want to set this to 0
+        // to avoid dividing anything by a zero volume.
+        scalar_flux_new_[idx] = 0.0f;
+        flux_moments_new_[idx] *= 0.0;
+      }
+    }
+  }
+
+  return n_hits;
+}
+
+void LinearSourceDomain::flux_swap()
+{
+  FlatSourceDomain::flux_swap();
+  flux_moments_old_.swap(flux_moments_new_);
+}
+
+void LinearSourceDomain::accumulate_iteration_flux()
+{
+  // Accumulate scalar flux
+  FlatSourceDomain::accumulate_iteration_flux();
+
+  // Accumulate scalar flux moments
+#pragma omp parallel for
+  for (int64_t se = 0; se < n_source_elements_; se++) {
+    flux_moments_t_[se] += flux_moments_new_[se];
+  }
+}
+
+void LinearSourceDomain::all_reduce_replicated_source_regions()
+{
+#ifdef OPENMC_MPI
+  FlatSourceDomain::all_reduce_replicated_source_regions();
+  simulation::time_bank_sendrecv.start();
+
+  // We are going to assume we can safely cast Position, MomentArray,
+  // and MomentMatrix to contiguous arrays of doubles for the MPI
+  // allreduce operation. This is a safe assumption as typically
+  // compilers will at most pad to 8 byte boundaries. If a new FP32 MomentArray
+  // type is introduced, then there will likely be padding, in which case this
+  // function will need to become more complex.
+  if (sizeof(MomentArray) != 3 * sizeof(double) ||
+      sizeof(MomentMatrix) != 6 * sizeof(double)) {
+    fatal_error("Unexpected buffer padding in linear source domain reduction.");
+  }
+
+  MPI_Allreduce(MPI_IN_PLACE, static_cast<void*>(flux_moments_new_.data()),
+    n_source_elements_ * 3, MPI_DOUBLE, MPI_SUM, mpi::intracomm);
+  MPI_Allreduce(MPI_IN_PLACE, static_cast<void*>(mom_matrix_.data()),
+    n_source_regions_ * 6, MPI_DOUBLE, MPI_SUM, mpi::intracomm);
+  MPI_Allreduce(MPI_IN_PLACE, static_cast<void*>(centroid_iteration_.data()),
+    n_source_regions_ * 3, MPI_DOUBLE, MPI_SUM, mpi::intracomm);
+
+  simulation::time_bank_sendrecv.stop();
+#endif
+}
+
+double LinearSourceDomain::evaluate_flux_at_point(
+  Position r, int64_t sr, int g) const
+{
+  float phi_flat = FlatSourceDomain::evaluate_flux_at_point(r, sr, g);
+
+  Position local_r = r - centroid_[sr];
+  MomentArray phi_linear = flux_moments_t_[sr * negroups_ + g];
+  phi_linear *= 1.0 / (settings::n_batches - settings::n_inactive);
+
+  MomentMatrix invM = mom_matrix_[sr].inverse();
+  MomentArray phi_solved = invM * phi_linear;
+
+  return phi_flat + phi_solved.dot(local_r);
+}
+
+} // namespace openmc
diff --git a/src/random_ray/moment_matrix.cpp b/src/random_ray/moment_matrix.cpp
new file mode 100644
index 000000000..0324a1494
--- /dev/null
+++ b/src/random_ray/moment_matrix.cpp
@@ -0,0 +1,84 @@
+#include "openmc/random_ray/moment_matrix.h"
+#include "openmc/error.h"
+
+#include <cmath>
+
+namespace openmc {
+
+//==============================================================================
+// UpperTriangular implementation
+//==============================================================================
+
+// Inverts a 3x3 smmetric matrix labeled as:
+//
+// | a b c |
+// | b d e |
+// | c e f |
+//
+// We first check the determinant to ensure it is non-zero before proceeding
+// with the inversion. If the determinant is zero, we return a matrix of zeros.
+// Inversion is calculated by computing the adjoint matrix first, and then the
+// inverse can be computed as: A^-1  = 1/det(A) * adj(A)
+MomentMatrix MomentMatrix::inverse() const
+{
+  MomentMatrix inv;
+
+  // Check if the determinant is zero
+  double det = determinant();
+  if (det < std::abs(1.0e-10)) {
+    // Set the inverse to zero. In effect, this will
+    // result in all the linear terms of the source becoming
+    // zero, leaving just the flat source.
+    inv.set_to_zero();
+    return inv;
+  }
+
+  // Compute the adjoint matrix
+  inv.a = d * f - e * e;
+  inv.b = c * e - b * f;
+  inv.c = b * e - c * d;
+  inv.d = a * f - c * c;
+  inv.e = b * c - a * e;
+  inv.f = a * d - b * b;
+
+  // A^-1 = 1/det(A) * adj(A)
+  inv *= 1.0 / det;
+
+  return inv;
+}
+
+// Computes the determinant of a 3x3 symmetric
+// matrix, with elements labeled as follows:
+//
+// | a b c |
+// | b d e |
+// | c e f |
+double MomentMatrix::determinant() const
+{
+  return a * (d * f - e * e) - b * (b * f - c * e) + c * (b * e - c * d);
+}
+
+// Compute a 3x3 spatial moment matrix based on a single ray crossing.
+// The matrix is symmetric, and is defined as:
+//
+// | a b c |
+// | b d e |
+// | c e f |
+//
+// The estimate of the obect's spatial moments matrix is computed based on the
+// midpoint of the ray's crossing, the direction of the ray, and the distance
+// the ray traveled through the 3D object.
+void MomentMatrix::compute_spatial_moments_matrix(
+  const Position& r, const Direction& u, const double& distance)
+{
+  constexpr double one_over_twelve = 1.0 / 12.0;
+  const double distance2_12 = distance * distance * one_over_twelve;
+  a = r[0] * r[0] + u[0] * u[0] * distance2_12;
+  b = r[0] * r[1] + u[0] * u[1] * distance2_12;
+  c = r[0] * r[2] + u[0] * u[2] * distance2_12;
+  d = r[1] * r[1] + u[1] * u[1] * distance2_12;
+  e = r[1] * r[2] + u[1] * u[2] * distance2_12;
+  f = r[2] * r[2] + u[2] * u[2] * distance2_12;
+}
+
+} // namespace openmc
\ No newline at end of file
diff --git a/src/random_ray/random_ray.cpp b/src/random_ray/random_ray.cpp
index 63d728cce..a5bf6ec10 100644
--- a/src/random_ray/random_ray.cpp
+++ b/src/random_ray/random_ray.cpp
@@ -1,9 +1,11 @@
 #include "openmc/random_ray/random_ray.h"
 
+#include "openmc/constants.h"
 #include "openmc/geometry.h"
 #include "openmc/message_passing.h"
 #include "openmc/mgxs_interface.h"
 #include "openmc/random_ray/flat_source_domain.h"
+#include "openmc/random_ray/linear_source_domain.h"
 #include "openmc/search.h"
 #include "openmc/settings.h"
 #include "openmc/simulation.h"
@@ -60,6 +62,118 @@ float cjosey_exponential(float tau)
   return num / den;
 }
 
+// The below two functions (exponentialG and exponentialG2) were developed
+// by Colin Josey. The implementation of these functions is closely based
+// on the OpenMOC versions of these functions. The OpenMOC license is given
+// below:
+
+// Copyright (C) 2012-2023 Massachusetts Institute of Technology and OpenMOC
+// contributors
+//
+// Permission is hereby granted, free of charge, to any person obtaining a copy
+// of this software and associated documentation files (the "Software"), to deal
+// in the Software without restriction, including without limitation the rights
+// to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
+// copies of the Software, and to permit persons to whom the Software is
+// furnished to do so, subject to the following conditions:
+//
+// The above copyright notice and this permission notice shall be included in
+// all copies or substantial portions of the Software.
+//
+// THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
+// IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
+// FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
+// AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
+// LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
+// OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
+// SOFTWARE.
+
+// Computes y = 1/x-(1-exp(-x))/x**2 using a 5/6th order rational
+// approximation. It is accurate to 2e-7 over [0, 1e5]. Developed by Colin
+// Josey using Remez's algorithm, with original implementation in OpenMOC at:
+// https://github.com/mit-crpg/OpenMOC/blob/develop/src/exponentials.h
+float exponentialG(float tau)
+{
+  // Numerator coefficients in rational approximation for 1/x - (1 - exp(-x)) /
+  // x^2
+  constexpr float d0n = 0.5f;
+  constexpr float d1n = 0.176558112351595f;
+  constexpr float d2n = 0.04041584305811143f;
+  constexpr float d3n = 0.006178333902037397f;
+  constexpr float d4n = 0.0006429894635552992f;
+  constexpr float d5n = 0.00006064409107557148f;
+
+  // Denominator coefficients in rational approximation for 1/x - (1 - exp(-x))
+  // / x^2
+  constexpr float d0d = 1.0f;
+  constexpr float d1d = 0.6864462055546078f;
+  constexpr float d2d = 0.2263358514260129f;
+  constexpr float d3d = 0.04721469893686252f;
+  constexpr float d4d = 0.006883236664917246f;
+  constexpr float d5d = 0.0007036272419147752f;
+  constexpr float d6d = 0.00006064409107557148f;
+
+  float x = tau;
+
+  float num = d5n;
+  num = num * x + d4n;
+  num = num * x + d3n;
+  num = num * x + d2n;
+  num = num * x + d1n;
+  num = num * x + d0n;
+
+  float den = d6d;
+  den = den * x + d5d;
+  den = den * x + d4d;
+  den = den * x + d3d;
+  den = den * x + d2d;
+  den = den * x + d1d;
+  den = den * x + d0d;
+
+  return num / den;
+}
+
+// Computes G2 : y = 2/3 - (1 + 2/x) * (1/x + 0.5 - (1 + 1/x) * (1-exp(-x)) /
+// x) using a 5/5th order rational approximation. It is accurate to 1e-6 over
+// [0, 1e6]. Developed by Colin Josey using Remez's algorithm, with original
+// implementation in OpenMOC at:
+// https://github.com/mit-crpg/OpenMOC/blob/develop/src/exponentials.h
+float exponentialG2(float tau)
+{
+
+  // Coefficients for numerator in rational approximation
+  constexpr float g1n = -0.08335775885589858f;
+  constexpr float g2n = -0.003603942303847604f;
+  constexpr float g3n = 0.0037673183263550827f;
+  constexpr float g4n = 0.00001124183494990467f;
+  constexpr float g5n = 0.00016837426505799449f;
+
+  // Coefficients for denominator in rational approximation
+  constexpr float g1d = 0.7454048371823628f;
+  constexpr float g2d = 0.23794300531408347f;
+  constexpr float g3d = 0.05367250964303789f;
+  constexpr float g4d = 0.006125197988351906f;
+  constexpr float g5d = 0.0010102514456857377f;
+
+  float x = tau;
+
+  float num = g5n;
+  num = num * x + g4n;
+  num = num * x + g3n;
+  num = num * x + g2n;
+  num = num * x + g1n;
+  num = num * x;
+
+  float den = g5d;
+  den = den * x + g4d;
+  den = den * x + g3d;
+  den = den * x + g2d;
+  den = den * x + g1d;
+  den = den * x + 1.0f;
+
+  return num / den;
+}
+
 //==============================================================================
 // RandomRay implementation
 //==============================================================================
@@ -68,12 +182,18 @@ float cjosey_exponential(float tau)
 double RandomRay::distance_inactive_;
 double RandomRay::distance_active_;
 unique_ptr<Source> RandomRay::ray_source_;
+RandomRaySourceShape RandomRay::source_shape_ {RandomRaySourceShape::FLAT};
 
 RandomRay::RandomRay()
   : angular_flux_(data::mg.num_energy_groups_),
     delta_psi_(data::mg.num_energy_groups_),
     negroups_(data::mg.num_energy_groups_)
-{}
+{
+  if (source_shape_ == RandomRaySourceShape::LINEAR ||
+      source_shape_ == RandomRaySourceShape::LINEAR_XY) {
+    delta_moments_.resize(negroups_);
+  }
+}
 
 RandomRay::RandomRay(uint64_t ray_id, FlatSourceDomain* domain) : RandomRay()
 {
@@ -152,6 +272,21 @@ void RandomRay::event_advance_ray()
   }
 }
 
+void RandomRay::attenuate_flux(double distance, bool is_active)
+{
+  switch (source_shape_) {
+  case RandomRaySourceShape::FLAT:
+    attenuate_flux_flat_source(distance, is_active);
+    break;
+  case RandomRaySourceShape::LINEAR:
+  case RandomRaySourceShape::LINEAR_XY:
+    attenuate_flux_linear_source(distance, is_active);
+    break;
+  default:
+    fatal_error("Unknown source shape for random ray transport.");
+  }
+}
+
 // This function forms the inner loop of the random ray transport process.
 // It is responsible for several tasks. Based on the incoming angular flux
 // of the ray and the source term in the region, the outgoing angular flux
@@ -165,7 +300,7 @@ void RandomRay::event_advance_ray()
 // than use of many atomic operations corresponding to each energy group
 // individually (at least on CPU). Several other bookkeeping tasks are also
 // performed when inside the lock.
-void RandomRay::attenuate_flux(double distance, bool is_active)
+void RandomRay::attenuate_flux_flat_source(double distance, bool is_active)
 {
   // The number of geometric intersections is counted for reporting purposes
   n_event()++;
@@ -236,6 +371,158 @@ void RandomRay::attenuate_flux(double distance, bool is_active)
   }
 }
 
+void RandomRay::attenuate_flux_linear_source(double distance, bool is_active)
+{
+  // Cast domain to LinearSourceDomain
+  LinearSourceDomain* domain = dynamic_cast<LinearSourceDomain*>(domain_);
+  if (!domain) {
+    fatal_error("RandomRay::attenuate_flux_linear_source() called with "
+                "non-LinearSourceDomain domain.");
+  }
+
+  // The number of geometric intersections is counted for reporting purposes
+  n_event()++;
+
+  // Determine source region index etc.
+  int i_cell = lowest_coord().cell;
+
+  // The source region is the spatial region index
+  int64_t source_region =
+    domain_->source_region_offsets_[i_cell] + cell_instance();
+
+  // The source element is the energy-specific region index
+  int64_t source_element = source_region * negroups_;
+  int material = this->material();
+
+  // Temperature and angle indices, if using multiple temperature
+  // data sets and/or anisotropic data sets.
+  // TODO: Currently assumes we are only using single temp/single
+  // angle data.
+  const int t = 0;
+  const int a = 0;
+
+  Position& centroid = domain->centroid_[source_region];
+  Position midpoint = r() + u() * (distance / 2.0);
+
+  // Determine the local position of the midpoint and the ray origin
+  // relative to the source region's centroid
+  Position rm_local;
+  Position r0_local;
+
+  // In the first few iterations of the simulation, the source region
+  // may not yet have had any ray crossings, in which case there will
+  // be no estimate of its centroid. We detect this by checking if it has
+  // any accumulated volume. If its volume is zero, just use the midpoint
+  // of the ray as the region's centroid.
+  if (domain->volume_t_[source_region]) {
+    rm_local = midpoint - centroid;
+    r0_local = r() - centroid;
+  } else {
+    rm_local = {0.0, 0.0, 0.0};
+    r0_local = -u() * 0.5 * distance;
+  }
+  double distance_2 = distance * distance;
+
+  // Linear Source MOC incoming flux attenuation + source
+  // contribution/attenuation equation
+  for (int g = 0; g < negroups_; g++) {
+
+    // Compute tau, the optical thickness of the ray segment
+    float sigma_t = data::mg.macro_xs_[material].get_xs(
+      MgxsType::TOTAL, g, NULL, NULL, NULL, t, a);
+    float tau = sigma_t * distance;
+
+    // If tau is very small, set it to zero to avoid numerical issues.
+    // The following computations will still work with tau = 0.
+    if (tau < 1.0e-8f) {
+      tau = 0.0f;
+    }
+
+    // Compute linear source terms, spatial and directional (dir),
+    // calculated from the source gradients dot product with local centroid
+    // and direction, respectively.
+    float spatial_source =
+      domain_->source_[source_element + g] +
+      rm_local.dot(domain->source_gradients_[source_element + g]);
+    float dir_source = u().dot(domain->source_gradients_[source_element + g]);
+
+    float gn = exponentialG(tau);
+    float f1 = 1.0f - tau * gn;
+    float f2 = (2.0f * gn - f1) * distance_2;
+    float new_delta_psi = (angular_flux_[g] - spatial_source) * f1 * distance -
+                          0.5 * dir_source * f2;
+
+    float h1 = f1 - gn;
+    float g1 = 0.5f - h1;
+    float g2 = exponentialG2(tau);
+    g1 = g1 * spatial_source;
+    g2 = g2 * dir_source * distance * 0.5f;
+    h1 = h1 * angular_flux_[g];
+    h1 = (g1 + g2 + h1) * distance_2;
+    spatial_source = spatial_source * distance + new_delta_psi;
+
+    // Store contributions for this group into arrays, so that they can
+    // be accumulated into the source region's estimates inside of the locked
+    // region.
+    delta_psi_[g] = new_delta_psi;
+    delta_moments_[g] = r0_local * spatial_source + u() * h1;
+
+    // Update the angular flux for this group
+    angular_flux_[g] -= new_delta_psi * sigma_t;
+
+    // If 2D mode is enabled, the z-component of the flux moments is forced
+    // to zero
+    if (source_shape_ == RandomRaySourceShape::LINEAR_XY) {
+      delta_moments_[g].z = 0.0;
+    }
+  }
+
+  // If ray is in the active phase (not in dead zone), make contributions to
+  // source region bookkeeping
+  if (is_active) {
+    // Compute an estimate of the spatial moments matrix for the source
+    // region based on parameters from this ray's crossing
+    MomentMatrix moment_matrix_estimate;
+    moment_matrix_estimate.compute_spatial_moments_matrix(
+      rm_local, u(), distance);
+
+    // Aquire lock for source region
+    domain_->lock_[source_region].lock();
+
+    // Accumulate deltas into the new estimate of source region flux for this
+    // iteration
+    for (int g = 0; g < negroups_; g++) {
+      domain_->scalar_flux_new_[source_element + g] += delta_psi_[g];
+      domain->flux_moments_new_[source_element + g] += delta_moments_[g];
+    }
+
+    // Accumulate the volume (ray segment distance), centroid, and spatial
+    // momement estimates into the running totals for the iteration for this
+    // source region. The centroid and spatial momements estimates are scaled by
+    // the ray segment length as part of length averaging of the estimates.
+    domain_->volume_[source_region] += distance;
+    domain->centroid_iteration_[source_region] += midpoint * distance;
+    moment_matrix_estimate *= distance;
+    domain->mom_matrix_[source_region] += moment_matrix_estimate;
+
+    // If the source region hasn't been hit yet this iteration,
+    // indicate that it now has
+    if (domain_->was_hit_[source_region] == 0) {
+      domain_->was_hit_[source_region] = 1;
+    }
+
+    // Tally valid position inside the source region (e.g., midpoint of
+    // the ray) if not done already
+    if (!domain_->position_recorded_[source_region]) {
+      domain_->position_[source_region] = midpoint;
+      domain_->position_recorded_[source_region] = 1;
+    }
+
+    // Release lock
+    domain_->lock_[source_region].unlock();
+  }
+}
+
 void RandomRay::initialize_ray(uint64_t ray_id, FlatSourceDomain* domain)
 {
   domain_ = domain;
diff --git a/src/random_ray/random_ray_simulation.cpp b/src/random_ray/random_ray_simulation.cpp
index 17866c302..4bc77645b 100644
--- a/src/random_ray/random_ray_simulation.cpp
+++ b/src/random_ray/random_ray_simulation.cpp
@@ -6,6 +6,7 @@
 #include "openmc/mgxs_interface.h"
 #include "openmc/output.h"
 #include "openmc/plot.h"
+#include "openmc/random_ray/flat_source_domain.h"
 #include "openmc/random_ray/random_ray.h"
 #include "openmc/simulation.h"
 #include "openmc/source.h"
@@ -241,14 +242,26 @@ RandomRaySimulation::RandomRaySimulation()
   // Random ray mode does not have an inner loop over generations within a
   // batch, so set the current gen to 1
   simulation::current_gen = 1;
+
+  switch (RandomRay::source_shape_) {
+  case RandomRaySourceShape::FLAT:
+    domain_ = make_unique<FlatSourceDomain>();
+    break;
+  case RandomRaySourceShape::LINEAR:
+  case RandomRaySourceShape::LINEAR_XY:
+    domain_ = make_unique<LinearSourceDomain>();
+    break;
+  default:
+    fatal_error("Unknown random ray source shape");
+  }
 }
 
 void RandomRaySimulation::simulate()
 {
   if (settings::run_mode == RunMode::FIXED_SOURCE) {
     // Transfer external source user inputs onto random ray source regions
-    domain_.convert_external_sources();
-    domain_.count_external_source_regions();
+    domain_->convert_external_sources();
+    domain_->count_external_source_regions();
   }
 
   // Random ray power iteration loop
@@ -262,11 +275,11 @@ void RandomRaySimulation::simulate()
     simulation::total_weight = 1.0;
 
     // Update source term (scattering + fission)
-    domain_.update_neutron_source(k_eff_);
+    domain_->update_neutron_source(k_eff_);
 
     // Reset scalar fluxes, iteration volume tallies, and region hit flags to
     // zero
-    domain_.batch_reset();
+    domain_->batch_reset();
 
     // Start timer for transport
     simulation::time_transport.start();
@@ -275,7 +288,7 @@ void RandomRaySimulation::simulate()
 #pragma omp parallel for schedule(dynamic)                                     \
   reduction(+ : total_geometric_intersections_)
     for (int i = 0; i < simulation::work_per_rank; i++) {
-      RandomRay ray(i, &domain_);
+      RandomRay ray(i, domain_.get());
       total_geometric_intersections_ +=
         ray.transport_history_based_single_ray();
     }
@@ -283,18 +296,18 @@ void RandomRaySimulation::simulate()
     simulation::time_transport.stop();
 
     // If using multiple MPI ranks, perform all reduce on all transport results
-    domain_.all_reduce_replicated_source_regions();
+    domain_->all_reduce_replicated_source_regions();
 
     // Normalize scalar flux and update volumes
-    domain_.normalize_scalar_flux_and_volumes(
+    domain_->normalize_scalar_flux_and_volumes(
       settings::n_particles * RandomRay::distance_active_);
 
     // Add source to scalar flux, compute number of FSR hits
-    int64_t n_hits = domain_.add_source_to_scalar_flux();
+    int64_t n_hits = domain_->add_source_to_scalar_flux();
 
     if (settings::run_mode == RunMode::EIGENVALUE) {
       // Compute random ray k-eff
-      k_eff_ = domain_.compute_k_eff(k_eff_);
+      k_eff_ = domain_->compute_k_eff(k_eff_);
 
       // Store random ray k-eff into OpenMC's native k-eff variable
       global_tally_tracklength = k_eff_;
@@ -304,19 +317,19 @@ void RandomRaySimulation::simulate()
     if (simulation::current_batch > settings::n_inactive && mpi::master) {
 
       // Generate mapping between source regions and tallies
-      if (!domain_.mapped_all_tallies_) {
-        domain_.convert_source_regions_to_tallies();
+      if (!domain_->mapped_all_tallies_) {
+        domain_->convert_source_regions_to_tallies();
       }
 
       // Use above mapping to contribute FSR flux data to appropriate tallies
-      domain_.random_ray_tally();
+      domain_->random_ray_tally();
 
       // Add this iteration's scalar flux estimate to final accumulated estimate
-      domain_.accumulate_iteration_flux();
+      domain_->accumulate_iteration_flux();
     }
 
     // Set phi_old = phi_new
-    domain_.scalar_flux_old_.swap(domain_.scalar_flux_new_);
+    domain_->flux_swap();
 
     // Check for any obvious insabilities/nans/infs
     instability_check(n_hits, k_eff_, avg_miss_rate_);
@@ -347,9 +360,9 @@ void RandomRaySimulation::output_simulation_results() const
   if (mpi::master) {
     print_results_random_ray(total_geometric_intersections_,
       avg_miss_rate_ / settings::n_batches, negroups_,
-      domain_.n_source_regions_, domain_.n_external_source_regions_);
+      domain_->n_source_regions_, domain_->n_external_source_regions_);
     if (model::plots.size() > 0) {
-      domain_.output_to_vtk();
+      domain_->output_to_vtk();
     }
   }
 }
@@ -359,25 +372,28 @@ void RandomRaySimulation::output_simulation_results() const
 void RandomRaySimulation::instability_check(
   int64_t n_hits, double k_eff, double& avg_miss_rate) const
 {
-  double percent_missed = ((domain_.n_source_regions_ - n_hits) /
-                            static_cast<double>(domain_.n_source_regions_)) *
+  double percent_missed = ((domain_->n_source_regions_ - n_hits) /
+                            static_cast<double>(domain_->n_source_regions_)) *
                           100.0;
   avg_miss_rate += percent_missed;
 
-  if (percent_missed > 10.0) {
-    warning(fmt::format(
-      "Very high FSR miss rate detected ({:.3f}%). Instability may occur. "
-      "Increase ray density by adding more rays and/or active distance.",
-      percent_missed));
-  } else if (percent_missed > 0.01) {
-    warning(fmt::format("Elevated FSR miss rate detected ({:.3f}%). Increasing "
-                        "ray density by adding more rays and/or active "
-                        "distance may improve simulation efficiency.",
-      percent_missed));
-  }
+  if (mpi::master) {
+    if (percent_missed > 10.0) {
+      warning(fmt::format(
+        "Very high FSR miss rate detected ({:.3f}%). Instability may occur. "
+        "Increase ray density by adding more rays and/or active distance.",
+        percent_missed));
+    } else if (percent_missed > 0.01) {
+      warning(
+        fmt::format("Elevated FSR miss rate detected ({:.3f}%). Increasing "
+                    "ray density by adding more rays and/or active "
+                    "distance may improve simulation efficiency.",
+          percent_missed));
+    }
 
-  if (k_eff > 10.0 || k_eff < 0.01 || !(std::isfinite(k_eff))) {
-    fatal_error("Instability detected");
+    if (k_eff > 10.0 || k_eff < 0.01 || !(std::isfinite(k_eff))) {
+      fatal_error("Instability detected");
+    }
   }
 }
 
diff --git a/src/settings.cpp b/src/settings.cpp
index b92b77df9..db956abf5 100644
--- a/src/settings.cpp
+++ b/src/settings.cpp
@@ -269,6 +269,19 @@ void get_run_parameters(pugi::xml_node node_base)
     } else {
       fatal_error("Specify random ray source in settings XML");
     }
+    if (check_for_node(random_ray_node, "source_shape")) {
+      std::string temp_str =
+        get_node_value(random_ray_node, "source_shape", true, true);
+      if (temp_str == "flat") {
+        RandomRay::source_shape_ = RandomRaySourceShape::FLAT;
+      } else if (temp_str == "linear") {
+        RandomRay::source_shape_ = RandomRaySourceShape::LINEAR;
+      } else if (temp_str == "linear_xy") {
+        RandomRay::source_shape_ = RandomRaySourceShape::LINEAR_XY;
+      } else {
+        fatal_error("Unrecognized source shape: " + temp_str);
+      }
+    }
     if (check_for_node(random_ray_node, "volume_normalized_flux_tallies")) {
       FlatSourceDomain::volume_normalized_flux_tallies_ =
         get_node_value_bool(random_ray_node, "volume_normalized_flux_tallies");
diff --git a/tests/regression_tests/random_ray_fixed_source_linear/__init__.py b/tests/regression_tests/random_ray_fixed_source_linear/__init__.py
new file mode 100644
index 000000000..e69de29bb
diff --git a/tests/regression_tests/random_ray_fixed_source_linear/linear/inputs_true.dat b/tests/regression_tests/random_ray_fixed_source_linear/linear/inputs_true.dat
new file mode 100644
index 000000000..e2972c5f2
--- /dev/null
+++ b/tests/regression_tests/random_ray_fixed_source_linear/linear/inputs_true.dat
@@ -0,0 +1,245 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <cross_sections>mgxs.h5</cross_sections>
+    <material id="1" name="source">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="source"/>
+    </material>
+    <material id="2" name="void">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="void"/>
+    </material>
+    <material id="3" name="absorber">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="absorber"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" name="infinite source region" universe="1"/>
+    <cell id="2" material="2" name="infinite void region" universe="2"/>
+    <cell id="3" material="3" name="infinite absorber region" universe="3"/>
+    <cell fill="4" id="4" universe="5"/>
+    <cell fill="5" id="5" name="full domain" region="1 -2 3 -4 5 -6" universe="6"/>
+    <lattice id="4">
+      <pitch>2.5 2.5 2.5</pitch>
+      <dimension>12 12 12</dimension>
+      <lower_left>0.0 0.0 0.0</lower_left>
+      <universes>
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+1 1 2 2 2 2 2 2 2 2 3 3 
+1 1 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+1 1 2 2 2 2 2 2 2 2 3 3 
+1 1 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 </universes>
+    </lattice>
+    <surface boundary="reflective" coeffs="0.0" id="1" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="30.0" id="2" type="x-plane"/>
+    <surface boundary="reflective" coeffs="0.0" id="3" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="30.0" id="4" type="y-plane"/>
+    <surface boundary="reflective" coeffs="0.0" id="5" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="30.0" id="6" type="z-plane"/>
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>90</particles>
+    <batches>10</batches>
+    <inactive>5</inactive>
+    <source particle="neutron" strength="3.14" type="independent">
+      <energy type="discrete">
+        <parameters>100.0 1.0</parameters>
+      </energy>
+      <constraints>
+        <domain_type>universe</domain_type>
+        <domain_ids>1</domain_ids>
+      </constraints>
+    </source>
+    <energy_mode>multi-group</energy_mode>
+    <random_ray>
+      <distance_active>500.0</distance_active>
+      <distance_inactive>100.0</distance_inactive>
+      <source particle="neutron" strength="1.0" type="independent">
+        <space type="box">
+          <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
+        </space>
+      </source>
+      <volume_normalized_flux_tallies>True</volume_normalized_flux_tallies>
+      <source_shape>linear</source_shape>
+    </random_ray>
+  </settings>
+  <tallies>
+    <filter id="3" type="material">
+      <bins>1</bins>
+    </filter>
+    <filter id="2" type="material">
+      <bins>2</bins>
+    </filter>
+    <filter id="1" type="material">
+      <bins>3</bins>
+    </filter>
+    <tally id="3" name="Source Tally">
+      <filters>3</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="2" name="Void Tally">
+      <filters>2</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="1" name="Absorber Tally">
+      <filters>1</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/random_ray_fixed_source_linear/linear/results_true.dat b/tests/regression_tests/random_ray_fixed_source_linear/linear/results_true.dat
new file mode 100644
index 000000000..7fb01a0ea
--- /dev/null
+++ b/tests/regression_tests/random_ray_fixed_source_linear/linear/results_true.dat
@@ -0,0 +1,9 @@
+tally 1:
+-5.745718E+02
+9.757661E+04
+tally 2:
+3.074428E-02
+1.952251E-04
+tally 3:
+1.980876E-03
+7.970502E-07
diff --git a/tests/regression_tests/random_ray_fixed_source_linear/linear_xy/inputs_true.dat b/tests/regression_tests/random_ray_fixed_source_linear/linear_xy/inputs_true.dat
new file mode 100644
index 000000000..5b958d65c
--- /dev/null
+++ b/tests/regression_tests/random_ray_fixed_source_linear/linear_xy/inputs_true.dat
@@ -0,0 +1,245 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <cross_sections>mgxs.h5</cross_sections>
+    <material id="1" name="source">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="source"/>
+    </material>
+    <material id="2" name="void">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="void"/>
+    </material>
+    <material id="3" name="absorber">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="absorber"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" name="infinite source region" universe="1"/>
+    <cell id="2" material="2" name="infinite void region" universe="2"/>
+    <cell id="3" material="3" name="infinite absorber region" universe="3"/>
+    <cell fill="4" id="4" universe="5"/>
+    <cell fill="5" id="5" name="full domain" region="1 -2 3 -4 5 -6" universe="6"/>
+    <lattice id="4">
+      <pitch>2.5 2.5 2.5</pitch>
+      <dimension>12 12 12</dimension>
+      <lower_left>0.0 0.0 0.0</lower_left>
+      <universes>
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+1 1 2 2 2 2 2 2 2 2 3 3 
+1 1 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+1 1 2 2 2 2 2 2 2 2 3 3 
+1 1 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 </universes>
+    </lattice>
+    <surface boundary="reflective" coeffs="0.0" id="1" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="30.0" id="2" type="x-plane"/>
+    <surface boundary="reflective" coeffs="0.0" id="3" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="30.0" id="4" type="y-plane"/>
+    <surface boundary="reflective" coeffs="0.0" id="5" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="30.0" id="6" type="z-plane"/>
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>90</particles>
+    <batches>10</batches>
+    <inactive>5</inactive>
+    <source particle="neutron" strength="3.14" type="independent">
+      <energy type="discrete">
+        <parameters>100.0 1.0</parameters>
+      </energy>
+      <constraints>
+        <domain_type>universe</domain_type>
+        <domain_ids>1</domain_ids>
+      </constraints>
+    </source>
+    <energy_mode>multi-group</energy_mode>
+    <random_ray>
+      <distance_active>500.0</distance_active>
+      <distance_inactive>100.0</distance_inactive>
+      <source particle="neutron" strength="1.0" type="independent">
+        <space type="box">
+          <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
+        </space>
+      </source>
+      <volume_normalized_flux_tallies>True</volume_normalized_flux_tallies>
+      <source_shape>linear_xy</source_shape>
+    </random_ray>
+  </settings>
+  <tallies>
+    <filter id="3" type="material">
+      <bins>1</bins>
+    </filter>
+    <filter id="2" type="material">
+      <bins>2</bins>
+    </filter>
+    <filter id="1" type="material">
+      <bins>3</bins>
+    </filter>
+    <tally id="3" name="Source Tally">
+      <filters>3</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="2" name="Void Tally">
+      <filters>2</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="1" name="Absorber Tally">
+      <filters>1</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/random_ray_fixed_source_linear/linear_xy/results_true.dat b/tests/regression_tests/random_ray_fixed_source_linear/linear_xy/results_true.dat
new file mode 100644
index 000000000..22b39edcf
--- /dev/null
+++ b/tests/regression_tests/random_ray_fixed_source_linear/linear_xy/results_true.dat
@@ -0,0 +1,9 @@
+tally 1:
+-5.745810E+02
+9.758220E+04
+tally 2:
+3.022777E-02
+1.884091E-04
+tally 3:
+1.980651E-03
+7.968779E-07
diff --git a/tests/regression_tests/random_ray_fixed_source_linear/test.py b/tests/regression_tests/random_ray_fixed_source_linear/test.py
new file mode 100644
index 000000000..25335dea6
--- /dev/null
+++ b/tests/regression_tests/random_ray_fixed_source_linear/test.py
@@ -0,0 +1,27 @@
+import os
+
+import numpy as np
+import openmc
+from openmc.utility_funcs import change_directory
+from openmc.examples import random_ray_three_region_cube
+import pytest
+
+from tests.testing_harness import TolerantPyAPITestHarness
+
+
+class MGXSTestHarness(TolerantPyAPITestHarness):
+    def _cleanup(self):
+        super()._cleanup()
+        f = 'mgxs.h5'
+        if os.path.exists(f):
+            os.remove(f)
+
+
+@pytest.mark.parametrize("shape", ["linear", "linear_xy"])
+def test_random_ray_fixed_source_linear(shape):
+    with change_directory(shape):
+        openmc.reset_auto_ids()
+        model = random_ray_three_region_cube()
+        model.settings.random_ray['source_shape'] = shape
+        harness = MGXSTestHarness('statepoint.10.h5', model)
+        harness.main()
diff --git a/tests/regression_tests/random_ray_linear/__init__.py b/tests/regression_tests/random_ray_linear/__init__.py
new file mode 100644
index 000000000..e69de29bb
diff --git a/tests/regression_tests/random_ray_linear/linear/inputs_true.dat b/tests/regression_tests/random_ray_linear/linear/inputs_true.dat
new file mode 100644
index 000000000..c580be3d1
--- /dev/null
+++ b/tests/regression_tests/random_ray_linear/linear/inputs_true.dat
@@ -0,0 +1,110 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <cross_sections>mgxs.h5</cross_sections>
+    <material id="1" name="UO2 fuel">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="UO2"/>
+    </material>
+    <material id="2" name="Water">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="LWTR"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" name="fuel inner a" region="-2" universe="1"/>
+    <cell id="2" material="1" name="fuel inner b" region="2 -3" universe="1"/>
+    <cell id="3" material="1" name="fuel inner c" region="3 -1" universe="1"/>
+    <cell id="4" material="2" name="moderator inner a" region="1 -4" universe="1"/>
+    <cell id="5" material="2" name="moderator outer b" region="4 -5" universe="1"/>
+    <cell id="6" material="2" name="moderator outer c" region="5" universe="1"/>
+    <cell fill="1" id="7" name="azimuthal_cell_0" region="6 -7" universe="2"/>
+    <cell fill="1" id="8" name="azimuthal_cell_1" region="7 -8" universe="2"/>
+    <cell fill="1" id="9" name="azimuthal_cell_2" region="8 -9" universe="2"/>
+    <cell fill="1" id="10" name="azimuthal_cell_3" region="9 -10" universe="2"/>
+    <cell fill="1" id="11" name="azimuthal_cell_4" region="10 -11" universe="2"/>
+    <cell fill="1" id="12" name="azimuthal_cell_5" region="11 -12" universe="2"/>
+    <cell fill="1" id="13" name="azimuthal_cell_6" region="12 -13" universe="2"/>
+    <cell fill="1" id="14" name="azimuthal_cell_7" region="13 -6" universe="2"/>
+    <cell id="15" material="2" name="moderator infinite" universe="3"/>
+    <cell fill="4" id="16" universe="5"/>
+    <cell fill="6" id="17" name="assembly" region="14 -15 16 -17" universe="7"/>
+    <lattice id="4">
+      <pitch>0.126 0.126</pitch>
+      <dimension>10 10</dimension>
+      <lower_left>-0.63 -0.63</lower_left>
+      <universes>
+3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 </universes>
+    </lattice>
+    <lattice id="6">
+      <pitch>1.26 1.26</pitch>
+      <dimension>2 2</dimension>
+      <lower_left>-1.26 -1.26</lower_left>
+      <universes>
+2 2 
+2 5 </universes>
+    </lattice>
+    <surface coeffs="0.0 0.0 0.54" id="1" name="Fuel OR" type="z-cylinder"/>
+    <surface coeffs="0.0 0.0 0.33" id="2" name="inner ring a" type="z-cylinder"/>
+    <surface coeffs="0.0 0.0 0.45" id="3" name="inner ring b" type="z-cylinder"/>
+    <surface coeffs="0.0 0.0 0.6" id="4" name="outer ring a" type="z-cylinder"/>
+    <surface coeffs="0.0 0.0 0.69" id="5" name="outer ring b" type="z-cylinder"/>
+    <surface coeffs="-0.0 1.0 0 0" id="6" type="plane"/>
+    <surface coeffs="-0.7071067811865475 0.7071067811865476 0 0" id="7" type="plane"/>
+    <surface coeffs="-1.0 6.123233995736766e-17 0 0" id="8" type="plane"/>
+    <surface coeffs="-0.7071067811865476 -0.7071067811865475 0 0" id="9" type="plane"/>
+    <surface coeffs="-1.2246467991473532e-16 -1.0 0 0" id="10" type="plane"/>
+    <surface coeffs="0.7071067811865475 -0.7071067811865477 0 0" id="11" type="plane"/>
+    <surface coeffs="1.0 -1.8369701987210297e-16 0 0" id="12" type="plane"/>
+    <surface coeffs="0.7071067811865477 0.7071067811865474 0 0" id="13" type="plane"/>
+    <surface boundary="reflective" coeffs="-1.26" id="14" name="minimum x" type="x-plane"/>
+    <surface boundary="reflective" coeffs="1.26" id="15" name="maximum x" type="x-plane"/>
+    <surface boundary="reflective" coeffs="-1.26" id="16" name="minimum y" type="y-plane"/>
+    <surface boundary="reflective" coeffs="1.26" id="17" name="maximum y" type="y-plane"/>
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>10</batches>
+    <inactive>5</inactive>
+    <energy_mode>multi-group</energy_mode>
+    <random_ray>
+      <distance_active>100.0</distance_active>
+      <distance_inactive>20.0</distance_inactive>
+      <source particle="neutron" strength="1.0" type="independent">
+        <space type="box">
+          <parameters>-1.26 -1.26 -1 1.26 1.26 1</parameters>
+        </space>
+      </source>
+      <volume_normalized_flux_tallies>True</volume_normalized_flux_tallies>
+      <source_shape>linear</source_shape>
+    </random_ray>
+  </settings>
+  <tallies>
+    <mesh id="1">
+      <dimension>2 2</dimension>
+      <lower_left>-1.26 -1.26</lower_left>
+      <upper_right>1.26 1.26</upper_right>
+    </mesh>
+    <filter id="1" type="mesh">
+      <bins>1</bins>
+    </filter>
+    <filter id="2" type="energy">
+      <bins>1e-05 0.0635 10.0 100.0 1000.0 500000.0 1000000.0 20000000.0</bins>
+    </filter>
+    <tally id="1" name="Mesh tally">
+      <filters>1 2</filters>
+      <scores>flux fission nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/random_ray_linear/linear/results_true.dat b/tests/regression_tests/random_ray_linear/linear/results_true.dat
new file mode 100644
index 000000000..a3e24dc75
--- /dev/null
+++ b/tests/regression_tests/random_ray_linear/linear/results_true.dat
@@ -0,0 +1,171 @@
+k-combined:
+8.273022E-01 1.347623E-02
+tally 1:
+5.004109E+00
+5.022655E+00
+1.844047E+00
+6.833376E-01
+4.488042E+00
+4.047669E+00
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+1.996612E-01
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+2.034293E+01
+8.321967E+01
+3.099116E-02
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+1.311478E+01
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+0.000000E+00
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+0.000000E+00
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diff --git a/tests/regression_tests/random_ray_linear/linear_xy/inputs_true.dat b/tests/regression_tests/random_ray_linear/linear_xy/inputs_true.dat
new file mode 100644
index 000000000..5c4076de7
--- /dev/null
+++ b/tests/regression_tests/random_ray_linear/linear_xy/inputs_true.dat
@@ -0,0 +1,110 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <cross_sections>mgxs.h5</cross_sections>
+    <material id="1" name="UO2 fuel">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="UO2"/>
+    </material>
+    <material id="2" name="Water">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="LWTR"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" name="fuel inner a" region="-2" universe="1"/>
+    <cell id="2" material="1" name="fuel inner b" region="2 -3" universe="1"/>
+    <cell id="3" material="1" name="fuel inner c" region="3 -1" universe="1"/>
+    <cell id="4" material="2" name="moderator inner a" region="1 -4" universe="1"/>
+    <cell id="5" material="2" name="moderator outer b" region="4 -5" universe="1"/>
+    <cell id="6" material="2" name="moderator outer c" region="5" universe="1"/>
+    <cell fill="1" id="7" name="azimuthal_cell_0" region="6 -7" universe="2"/>
+    <cell fill="1" id="8" name="azimuthal_cell_1" region="7 -8" universe="2"/>
+    <cell fill="1" id="9" name="azimuthal_cell_2" region="8 -9" universe="2"/>
+    <cell fill="1" id="10" name="azimuthal_cell_3" region="9 -10" universe="2"/>
+    <cell fill="1" id="11" name="azimuthal_cell_4" region="10 -11" universe="2"/>
+    <cell fill="1" id="12" name="azimuthal_cell_5" region="11 -12" universe="2"/>
+    <cell fill="1" id="13" name="azimuthal_cell_6" region="12 -13" universe="2"/>
+    <cell fill="1" id="14" name="azimuthal_cell_7" region="13 -6" universe="2"/>
+    <cell id="15" material="2" name="moderator infinite" universe="3"/>
+    <cell fill="4" id="16" universe="5"/>
+    <cell fill="6" id="17" name="assembly" region="14 -15 16 -17" universe="7"/>
+    <lattice id="4">
+      <pitch>0.126 0.126</pitch>
+      <dimension>10 10</dimension>
+      <lower_left>-0.63 -0.63</lower_left>
+      <universes>
+3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 </universes>
+    </lattice>
+    <lattice id="6">
+      <pitch>1.26 1.26</pitch>
+      <dimension>2 2</dimension>
+      <lower_left>-1.26 -1.26</lower_left>
+      <universes>
+2 2 
+2 5 </universes>
+    </lattice>
+    <surface coeffs="0.0 0.0 0.54" id="1" name="Fuel OR" type="z-cylinder"/>
+    <surface coeffs="0.0 0.0 0.33" id="2" name="inner ring a" type="z-cylinder"/>
+    <surface coeffs="0.0 0.0 0.45" id="3" name="inner ring b" type="z-cylinder"/>
+    <surface coeffs="0.0 0.0 0.6" id="4" name="outer ring a" type="z-cylinder"/>
+    <surface coeffs="0.0 0.0 0.69" id="5" name="outer ring b" type="z-cylinder"/>
+    <surface coeffs="-0.0 1.0 0 0" id="6" type="plane"/>
+    <surface coeffs="-0.7071067811865475 0.7071067811865476 0 0" id="7" type="plane"/>
+    <surface coeffs="-1.0 6.123233995736766e-17 0 0" id="8" type="plane"/>
+    <surface coeffs="-0.7071067811865476 -0.7071067811865475 0 0" id="9" type="plane"/>
+    <surface coeffs="-1.2246467991473532e-16 -1.0 0 0" id="10" type="plane"/>
+    <surface coeffs="0.7071067811865475 -0.7071067811865477 0 0" id="11" type="plane"/>
+    <surface coeffs="1.0 -1.8369701987210297e-16 0 0" id="12" type="plane"/>
+    <surface coeffs="0.7071067811865477 0.7071067811865474 0 0" id="13" type="plane"/>
+    <surface boundary="reflective" coeffs="-1.26" id="14" name="minimum x" type="x-plane"/>
+    <surface boundary="reflective" coeffs="1.26" id="15" name="maximum x" type="x-plane"/>
+    <surface boundary="reflective" coeffs="-1.26" id="16" name="minimum y" type="y-plane"/>
+    <surface boundary="reflective" coeffs="1.26" id="17" name="maximum y" type="y-plane"/>
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>10</batches>
+    <inactive>5</inactive>
+    <energy_mode>multi-group</energy_mode>
+    <random_ray>
+      <distance_active>100.0</distance_active>
+      <distance_inactive>20.0</distance_inactive>
+      <source particle="neutron" strength="1.0" type="independent">
+        <space type="box">
+          <parameters>-1.26 -1.26 -1 1.26 1.26 1</parameters>
+        </space>
+      </source>
+      <volume_normalized_flux_tallies>True</volume_normalized_flux_tallies>
+      <source_shape>linear_xy</source_shape>
+    </random_ray>
+  </settings>
+  <tallies>
+    <mesh id="1">
+      <dimension>2 2</dimension>
+      <lower_left>-1.26 -1.26</lower_left>
+      <upper_right>1.26 1.26</upper_right>
+    </mesh>
+    <filter id="1" type="mesh">
+      <bins>1</bins>
+    </filter>
+    <filter id="2" type="energy">
+      <bins>1e-05 0.0635 10.0 100.0 1000.0 500000.0 1000000.0 20000000.0</bins>
+    </filter>
+    <tally id="1" name="Mesh tally">
+      <filters>1 2</filters>
+      <scores>flux fission nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/random_ray_linear/linear_xy/results_true.dat b/tests/regression_tests/random_ray_linear/linear_xy/results_true.dat
new file mode 100644
index 000000000..f79b3fa78
--- /dev/null
+++ b/tests/regression_tests/random_ray_linear/linear_xy/results_true.dat
@@ -0,0 +1,171 @@
+k-combined:
+8.368882E-01 8.107070E-03
+tally 1:
+5.072700E+00
+5.152684E+00
+1.876680E+00
+7.051697E-01
+4.567463E+00
+4.176989E+00
+2.858196E+00
+1.636775E+00
+4.239946E-01
+3.601884E-02
+1.031918E+00
+2.133534E-01
+1.692006E+00
+5.789664E-01
+5.442292E-02
+5.988675E-04
+1.324545E-01
+3.547321E-03
+2.371801E+00
+1.146513E+00
+7.804414E-02
+1.241074E-03
+1.899438E-01
+7.351359E-03
+7.134037E+00
+1.034554E+01
+8.269855E-02
+1.390936E-03
+2.012742E-01
+8.239245E-03
+2.043174E+01
+8.386878E+01
+3.098171E-02
+1.929186E-04
+7.666208E-02
+1.181203E-03
+1.312800E+01
+3.447362E+01
+1.763141E-01
+6.217438E-03
+4.904088E-01
+4.810096E-02
+7.608165E+00
+1.157716E+01
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+3.392187E+00
+2.302667E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+1.821339E+00
+6.737984E-01
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+2.695742E+00
+1.483104E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+7.457904E+00
+1.129343E+01
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+1.824331E+01
+6.687165E+01
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+1.138096E+01
+2.591161E+01
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+4.582534E+00
+4.206969E+00
+1.707129E+00
+5.837143E-01
+4.154811E+00
+3.457563E+00
+2.727459E+00
+1.491183E+00
+4.100516E-01
+3.371280E-02
+9.979836E-01
+1.996938E-01
+1.660765E+00
+5.570066E-01
+5.425719E-02
+5.941503E-04
+1.320511E-01
+3.519379E-03
+2.306630E+00
+1.083425E+00
+7.695103E-02
+1.205473E-03
+1.872834E-01
+7.140475E-03
+7.077631E+00
+1.018246E+01
+8.321109E-02
+1.408010E-03
+2.025216E-01
+8.340388E-03
+2.094896E+01
+8.817186E+01
+3.233088E-02
+2.099749E-04
+8.000050E-02
+1.285635E-03
+1.356905E+01
+3.683229E+01
+1.859858E-01
+6.921278E-03
+5.173102E-01
+5.354619E-02
+5.056029E+00
+5.118575E+00
+1.910007E+00
+7.308066E-01
+4.648575E+00
+4.328846E+00
+2.856363E+00
+1.634636E+00
+4.328679E-01
+3.755784E-02
+1.053514E+00
+2.224694E-01
+1.692444E+00
+5.793158E-01
+5.559366E-02
+6.243434E-04
+1.353038E-01
+3.698224E-03
+2.368251E+00
+1.142832E+00
+7.949453E-02
+1.285913E-03
+1.934738E-01
+7.616955E-03
+7.118354E+00
+1.029753E+01
+8.426801E-02
+1.442436E-03
+2.050940E-01
+8.544309E-03
+2.046889E+01
+8.419814E+01
+3.182500E-02
+2.035334E-04
+7.874874E-02
+1.246195E-03
+1.326056E+01
+3.517079E+01
+1.833225E-01
+6.723237E-03
+5.099023E-01
+5.201406E-02
diff --git a/tests/regression_tests/random_ray_linear/test.py b/tests/regression_tests/random_ray_linear/test.py
new file mode 100644
index 000000000..10262789d
--- /dev/null
+++ b/tests/regression_tests/random_ray_linear/test.py
@@ -0,0 +1,26 @@
+import os
+
+import openmc
+from openmc.examples import random_ray_lattice
+from openmc.utility_funcs import change_directory
+import pytest
+
+from tests.testing_harness import TolerantPyAPITestHarness
+
+
+class MGXSTestHarness(TolerantPyAPITestHarness):
+    def _cleanup(self):
+        super()._cleanup()
+        f = 'mgxs.h5'
+        if os.path.exists(f):
+            os.remove(f)
+
+
+@pytest.mark.parametrize("shape", ["linear", "linear_xy"])
+def test_random_ray_source(shape):
+    with change_directory(shape):
+        openmc.reset_auto_ids()
+        model = random_ray_lattice()
+        model.settings.random_ray['source_shape'] = shape
+        harness = MGXSTestHarness('statepoint.10.h5', model)
+        harness.main()

From 32440ad203116d13e893a5ac37ab848df684011b Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 18 Jul 2024 11:54:06 -0500
Subject: [PATCH 2132/2654] Remove use of pkg_resources package (#3069)

---
 openmc/lib/__init__.py             | 8 +++-----
 pyproject.toml                     | 2 +-
 tests/regression_tests/conftest.py | 4 ++--
 3 files changed, 6 insertions(+), 8 deletions(-)

diff --git a/openmc/lib/__init__.py b/openmc/lib/__init__.py
index 42d779441..9bb2efb38 100644
--- a/openmc/lib/__init__.py
+++ b/openmc/lib/__init__.py
@@ -13,11 +13,10 @@ functions or objects in :mod:`openmc.lib`, for example:
 """
 
 from ctypes import CDLL, c_bool, c_int
+import importlib.resources
 import os
 import sys
 
-import pkg_resources
-
 
 # Determine shared-library suffix
 if sys.platform == 'darwin':
@@ -27,9 +26,8 @@ else:
 
 if os.environ.get('READTHEDOCS', None) != 'True':
     # Open shared library
-    _filename = pkg_resources.resource_filename(
-        __name__, f'libopenmc.{_suffix}')
-    _dll = CDLL(_filename)
+    _filename = importlib.resources.files(__name__) / f'libopenmc.{_suffix}'
+    _dll = CDLL(str(_filename))  # TODO: Remove str() when Python 3.12+
 else:
     # For documentation builds, we don't actually have the shared library
     # available. Instead, we create a mock object so that when the modules
diff --git a/pyproject.toml b/pyproject.toml
index ca646323b..d1b2c335c 100644
--- a/pyproject.toml
+++ b/pyproject.toml
@@ -46,7 +46,7 @@ docs = [
     "sphinxcontrib-svg2pdfconverter",
     "sphinx-rtd-theme==1.0.0"
 ]
-test = ["pytest", "pytest-cov", "colorama", "openpyxl"]
+test = ["packaging", "pytest", "pytest-cov", "colorama", "openpyxl"]
 vtk = ["vtk"]
 
 [project.urls]
diff --git a/tests/regression_tests/conftest.py b/tests/regression_tests/conftest.py
index b4a764476..1cdf414e7 100644
--- a/tests/regression_tests/conftest.py
+++ b/tests/regression_tests/conftest.py
@@ -1,12 +1,12 @@
 import numpy as np
 import openmc
-from pkg_resources import parse_version
+from packaging.version import parse
 import pytest
 
 
 @pytest.fixture(scope='module', autouse=True)
 def numpy_version_requirement():
-    assert parse_version(np.__version__) >= parse_version("1.14"), \
+    assert parse(np.__version__) >= parse("1.14"), \
         "Regression tests require NumPy 1.14 or greater"
 
 

From 4c0e08bae86c9d40c70740bc98e043b81d295a1f Mon Sep 17 00:00:00 2001
From: John Vincent Cauilan <64677361+johvincau@users.noreply.github.com>
Date: Thu, 18 Jul 2024 12:40:42 -0500
Subject: [PATCH 2133/2654] Replace all deprecated Python typing imports and
 syntax with updated forms (#3085)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/bounding_box.py                 |  2 +-
 openmc/checkvalue.py                   |  3 +-
 openmc/data/data.py                    |  5 +-
 openmc/data/decay.py                   |  3 +-
 openmc/deplete/coupled_operator.py     |  3 +-
 openmc/deplete/independent_operator.py |  3 +-
 openmc/deplete/microxs.py              | 24 ++++----
 openmc/deplete/openmc_operator.py      |  3 +-
 openmc/deplete/reaction_rates.py       |  7 +--
 openmc/deplete/results.py              | 35 ++++++-----
 openmc/geometry.py                     | 37 ++++++------
 openmc/lib/mesh.py                     |  7 +--
 openmc/material.py                     | 82 +++++++++++++-------------
 openmc/mesh.py                         | 56 +++++++++---------
 openmc/model/model.py                  | 15 +++--
 openmc/model/surface_composite.py      |  3 +-
 openmc/plots.py                        |  3 +-
 openmc/settings.py                     | 26 ++++----
 openmc/source.py                       | 48 ++++++++-------
 openmc/stats/multivariate.py           | 18 +++---
 openmc/stats/univariate.py             | 25 ++++----
 openmc/utility_funcs.py                |  3 +-
 openmc/weight_windows.py               | 20 +++----
 23 files changed, 204 insertions(+), 227 deletions(-)

diff --git a/openmc/bounding_box.py b/openmc/bounding_box.py
index 6e58ca8ba..5f3d3a6cf 100644
--- a/openmc/bounding_box.py
+++ b/openmc/bounding_box.py
@@ -1,5 +1,5 @@
 from __future__ import annotations
-from typing import Iterable
+from collections.abc import Iterable
 
 import numpy as np
 
diff --git a/openmc/checkvalue.py b/openmc/checkvalue.py
index 42df3e5ef..4fa205b14 100644
--- a/openmc/checkvalue.py
+++ b/openmc/checkvalue.py
@@ -1,12 +1,11 @@
 import copy
 import os
-import typing  # required to prevent typing.Union namespace overwriting Union
 from collections.abc import Iterable
 
 import numpy as np
 
 # Type for arguments that accept file paths
-PathLike = typing.Union[str, os.PathLike]
+PathLike = str | os.PathLike
 
 
 def check_type(name, value, expected_type, expected_iter_type=None, *, none_ok=False):
diff --git a/openmc/data/data.py b/openmc/data/data.py
index 7caf31e26..d94d6aaaa 100644
--- a/openmc/data/data.py
+++ b/openmc/data/data.py
@@ -5,7 +5,6 @@ import re
 from pathlib import Path
 from math import sqrt, log
 from warnings import warn
-from typing import Dict
 
 # Isotopic abundances from Meija J, Coplen T B, et al, "Isotopic compositions
 # of the elements 2013 (IUPAC Technical Report)", Pure. Appl. Chem. 88 (3),
@@ -283,13 +282,13 @@ AVOGADRO = 6.02214076e23
 NEUTRON_MASS = 1.00866491595
 
 # Used in atomic_mass function as a cache
-_ATOMIC_MASS: Dict[str, float] = {}
+_ATOMIC_MASS: dict[str, float] = {}
 
 # Regex for GNDS nuclide names (used in zam function)
 _GNDS_NAME_RE = re.compile(r'([A-Zn][a-z]*)(\d+)((?:_[em]\d+)?)')
 
 # Used in half_life function as a cache
-_HALF_LIFE: Dict[str, float] = {}
+_HALF_LIFE: dict[str, float] = {}
 _LOG_TWO = log(2.0)
 
 def atomic_mass(isotope):
diff --git a/openmc/data/decay.py b/openmc/data/decay.py
index be3dab77a..66acb2212 100644
--- a/openmc/data/decay.py
+++ b/openmc/data/decay.py
@@ -2,7 +2,6 @@ from collections.abc import Iterable
 from io import StringIO
 from math import log
 import re
-from typing import Optional
 from warnings import warn
 
 import numpy as np
@@ -579,7 +578,7 @@ class Decay(EqualityMixin):
 _DECAY_PHOTON_ENERGY = {}
 
 
-def decay_photon_energy(nuclide: str) -> Optional[Univariate]:
+def decay_photon_energy(nuclide: str) -> Univariate | None:
     """Get photon energy distribution resulting from the decay of a nuclide
 
     This function relies on data stored in a depletion chain. Before calling it
diff --git a/openmc/deplete/coupled_operator.py b/openmc/deplete/coupled_operator.py
index acdcf467c..17af935f4 100644
--- a/openmc/deplete/coupled_operator.py
+++ b/openmc/deplete/coupled_operator.py
@@ -10,7 +10,6 @@ filesystem.
 
 import copy
 from warnings import warn
-from typing import Optional
 
 import numpy as np
 from uncertainties import ufloat
@@ -34,7 +33,7 @@ from .helpers import (
 __all__ = ["CoupledOperator", "Operator", "OperatorResult"]
 
 
-def _find_cross_sections(model: Optional[str] = None):
+def _find_cross_sections(model: str | None = None):
     """Determine cross sections to use for depletion
 
     Parameters
diff --git a/openmc/deplete/independent_operator.py b/openmc/deplete/independent_operator.py
index 250b94deb..759abde13 100644
--- a/openmc/deplete/independent_operator.py
+++ b/openmc/deplete/independent_operator.py
@@ -8,7 +8,6 @@ transport solver by using user-provided one-group cross sections.
 from __future__ import annotations
 from collections.abc import Iterable
 import copy
-from typing import List, Set
 
 import numpy as np
 from uncertainties import ufloat
@@ -279,7 +278,7 @@ class IndependentOperator(OpenMCOperator):
                 new_res = res_obj.distribute(self.local_mats, mat_indexes)
                 self.prev_res.append(new_res)
 
-    def _get_nuclides_with_data(self, cross_sections: List[MicroXS]) -> Set[str]:
+    def _get_nuclides_with_data(self, cross_sections: list[MicroXS]) -> set[str]:
         """Finds nuclides with cross section data"""
         return set(cross_sections[0].nuclides)
 
diff --git a/openmc/deplete/microxs.py b/openmc/deplete/microxs.py
index b2ae9f6c7..39753529b 100644
--- a/openmc/deplete/microxs.py
+++ b/openmc/deplete/microxs.py
@@ -5,8 +5,8 @@ IndependentOperator class for depletion.
 """
 
 from __future__ import annotations
+from collections.abc import Iterable, Sequence
 from tempfile import TemporaryDirectory
-from typing import List, Tuple, Iterable, Optional, Union, Sequence
 
 import pandas as pd
 import numpy as np
@@ -27,7 +27,7 @@ _valid_rxns.append('fission')
 _valid_rxns.append('damage-energy')
 
 
-def _resolve_chain_file_path(chain_file: str):
+def _resolve_chain_file_path(chain_file: str | None):
     if chain_file is None:
         chain_file = openmc.config.get('chain_file')
         if 'chain_file' not in openmc.config:
@@ -41,12 +41,12 @@ def _resolve_chain_file_path(chain_file: str):
 def get_microxs_and_flux(
         model: openmc.Model,
         domains,
-        nuclides: Optional[Iterable[str]] = None,
-        reactions: Optional[Iterable[str]] = None,
-        energies: Optional[Union[Iterable[float], str]] = None,
-        chain_file: Optional[PathLike] = None,
+        nuclides: Iterable[str] | None = None,
+        reactions: Iterable[str] | None = None,
+        energies: Iterable[float] | str | None = None,
+        chain_file: PathLike | None = None,
         run_kwargs=None
-    ) -> Tuple[List[np.ndarray], List[MicroXS]]:
+    ) -> tuple[list[np.ndarray], list[MicroXS]]:
     """Generate a microscopic cross sections and flux from a Model
 
     .. versionadded:: 0.14.0
@@ -183,7 +183,7 @@ class MicroXS:
         :data:`openmc.deplete.chain.REACTIONS`
 
     """
-    def __init__(self, data: np.ndarray, nuclides: List[str], reactions: List[str]):
+    def __init__(self, data: np.ndarray, nuclides: list[str], reactions: list[str]):
         # Validate inputs
         if data.shape[:2] != (len(nuclides), len(reactions)):
             raise ValueError(
@@ -205,12 +205,12 @@ class MicroXS:
     @classmethod
     def from_multigroup_flux(
         cls,
-        energies: Union[Sequence[float], str],
+        energies: Sequence[float] | str,
         multigroup_flux: Sequence[float],
-        chain_file: Optional[PathLike] = None,
+        chain_file: PathLike | None = None,
         temperature: float = 293.6,
-        nuclides: Optional[Sequence[str]] = None,
-        reactions: Optional[Sequence[str]] = None,
+        nuclides: Sequence[str] | None = None,
+        reactions: Sequence[str] | None = None,
         **init_kwargs: dict,
     ) -> MicroXS:
         """Generated microscopic cross sections from a known flux.
diff --git a/openmc/deplete/openmc_operator.py b/openmc/deplete/openmc_operator.py
index 75f0925c4..c0ff568bc 100644
--- a/openmc/deplete/openmc_operator.py
+++ b/openmc/deplete/openmc_operator.py
@@ -7,7 +7,6 @@ transport-independent transport operators.
 
 from abc import abstractmethod
 from warnings import warn
-from typing import List, Tuple, Dict
 
 import numpy as np
 
@@ -185,7 +184,7 @@ class OpenMCOperator(TransportOperator):
         """Assign distribmats for each burnable material"""
         pass
 
-    def _get_burnable_mats(self) -> Tuple[List[str], Dict[str, float], List[str]]:
+    def _get_burnable_mats(self) -> tuple[list[str], dict[str, float], list[str]]:
         """Determine depletable materials, volumes, and nuclides
 
         Returns
diff --git a/openmc/deplete/reaction_rates.py b/openmc/deplete/reaction_rates.py
index 4aaf829a9..714d9048b 100644
--- a/openmc/deplete/reaction_rates.py
+++ b/openmc/deplete/reaction_rates.py
@@ -2,7 +2,6 @@
 
 An ndarray to store reaction rates with string, integer, or slice indexing.
 """
-from typing import Dict
 
 import numpy as np
 
@@ -53,9 +52,9 @@ class ReactionRates(np.ndarray):
     # the __array_finalize__ method (discussed here:
     # https://docs.scipy.org/doc/numpy/user/basics.subclassing.html)
 
-    index_mat: Dict[str, int]
-    index_nuc: Dict[str, int]
-    index_rx: Dict[str, int]
+    index_mat: dict[str, int]
+    index_nuc: dict[str, int]
+    index_rx: dict[str, int]
 
     def __new__(cls, local_mats, nuclides, reactions, from_results=False):
         # Create appropriately-sized zeroed-out ndarray
diff --git a/openmc/deplete/results.py b/openmc/deplete/results.py
index 2e537a1b7..f897a8842 100644
--- a/openmc/deplete/results.py
+++ b/openmc/deplete/results.py
@@ -1,8 +1,7 @@
 import numbers
 import bisect
 import math
-import typing  # required to prevent typing.Union namespace overwriting Union
-from typing import Iterable, Optional, Tuple, List
+from collections.abc import Iterable
 from warnings import warn
 
 import h5py
@@ -97,11 +96,11 @@ class Results(list):
 
     def get_activity(
         self,
-        mat: typing.Union[Material, str],
+        mat: Material | str,
         units: str = "Bq/cm3",
         by_nuclide: bool = False,
-        volume: Optional[float] = None
-    ) -> Tuple[np.ndarray, typing.Union[np.ndarray, List[dict]]]:
+        volume: float | None = None
+    ) -> tuple[np.ndarray, np.ndarray | list[dict]]:
         """Get activity of material over time.
 
         .. versionadded:: 0.14.0
@@ -152,11 +151,11 @@ class Results(list):
 
     def get_atoms(
         self,
-        mat: typing.Union[Material, str],
+        mat: Material | str,
         nuc: str,
         nuc_units: str = "atoms",
         time_units: str = "s"
-    ) -> Tuple[np.ndarray, np.ndarray]:
+    ) -> tuple[np.ndarray, np.ndarray]:
         """Get number of nuclides over time from a single material
 
         Parameters
@@ -215,11 +214,11 @@ class Results(list):
 
     def get_decay_heat(
             self,
-            mat: typing.Union[Material, str],
+            mat: Material | str,
             units: str = "W",
             by_nuclide: bool = False,
-            volume: Optional[float] = None
-    ) -> Tuple[np.ndarray, typing.Union[np.ndarray, List[dict]]]:
+            volume: float | None = None
+    ) -> tuple[np.ndarray, np.ndarray | list[dict]]:
         """Get decay heat of material over time.
 
         .. versionadded:: 0.14.0
@@ -242,7 +241,7 @@ class Results(list):
         -------
         times : numpy.ndarray
             Array of times in [s]
-        decay_heat : numpy.ndarray or List[dict]
+        decay_heat : numpy.ndarray or list[dict]
             Array of total decay heat values if by_nuclide = False (default)
             or list of dictionaries of decay heat values by nuclide if
             by_nuclide = True.
@@ -270,11 +269,11 @@ class Results(list):
         return times, decay_heat
 
     def get_mass(self,
-        mat: typing.Union[Material, str],
+        mat: Material | str,
         nuc: str,
         mass_units: str = "g",
         time_units: str = "s"
-    ) -> Tuple[np.ndarray, np.ndarray]:
+    ) -> tuple[np.ndarray, np.ndarray]:
         """Get mass of nuclides over time from a single material
 
         .. versionadded:: 0.14.0
@@ -324,10 +323,10 @@ class Results(list):
 
     def get_reaction_rate(
         self,
-        mat: typing.Union[Material, str],
+        mat: Material | str,
         nuc: str,
         rx: str
-    ) -> Tuple[np.ndarray, np.ndarray]:
+    ) -> tuple[np.ndarray, np.ndarray]:
         """Get reaction rate in a single material/nuclide over time
 
         Parameters
@@ -364,7 +363,7 @@ class Results(list):
 
         return times, rates
 
-    def get_keff(self, time_units: str = 's') -> Tuple[np.ndarray, np.ndarray]:
+    def get_keff(self, time_units: str = 's') -> tuple[np.ndarray, np.ndarray]:
         """Evaluates the eigenvalue from a results list.
 
         .. versionadded:: 0.13.1
@@ -400,7 +399,7 @@ class Results(list):
         times = _get_time_as(times, time_units)
         return times, eigenvalues
 
-    def get_eigenvalue(self, time_units: str = 's') -> Tuple[np.ndarray, np.ndarray]:
+    def get_eigenvalue(self, time_units: str = 's') -> tuple[np.ndarray, np.ndarray]:
         warn("The get_eigenvalue(...) function has been renamed get_keff and "
              "will be removed in a future version of OpenMC.", FutureWarning)
         return self.get_keff(time_units)
@@ -526,7 +525,7 @@ class Results(list):
     def export_to_materials(
         self,
         burnup_index: int,
-        nuc_with_data: Optional[Iterable[str]] = None,
+        nuc_with_data: Iterable[str] | None = None,
         path: PathLike = 'materials.xml'
     ) -> Materials:
         """Return openmc.Materials object based on results at a given step
diff --git a/openmc/geometry.py b/openmc/geometry.py
index e37a69c73..6cce4c18c 100644
--- a/openmc/geometry.py
+++ b/openmc/geometry.py
@@ -1,6 +1,5 @@
 from __future__ import annotations
 import os
-import typing
 from collections import defaultdict
 from copy import deepcopy
 from collections.abc import Iterable
@@ -41,7 +40,7 @@ class Geometry:
 
     def __init__(
         self,
-        root: openmc.UniverseBase | typing.Iterable[openmc.Cell] | None = None,
+        root: openmc.UniverseBase | Iterable[openmc.Cell] | None = None,
         merge_surfaces: bool = False,
         surface_precision: int = 10
     ):
@@ -267,7 +266,7 @@ class Geometry:
     def from_xml(
         cls,
         path: PathLike = 'geometry.xml',
-        materials: typing.Optional[typing.Union[PathLike, 'openmc.Materials']] = 'materials.xml'
+        materials: PathLike | 'openmc.Materials' | None = 'materials.xml'
     ) -> Geometry:
         """Generate geometry from XML file
 
@@ -316,7 +315,7 @@ class Geometry:
         """
         return self.root_universe.find(point)
 
-    def get_instances(self, paths) -> typing.Union[int, typing.List[int]]:
+    def get_instances(self, paths) -> int | list[int]:
         """Return the instance number(s) for a cell/material in a geometry path.
 
         The instance numbers are used as indices into distributed
@@ -363,7 +362,7 @@ class Geometry:
 
         return indices if return_list else indices[0]
 
-    def get_all_cells(self) -> typing.Dict[int, openmc.Cell]:
+    def get_all_cells(self) -> dict[int, openmc.Cell]:
         """Return all cells in the geometry.
 
         Returns
@@ -377,7 +376,7 @@ class Geometry:
         else:
             return {}
 
-    def get_all_universes(self) -> typing.Dict[int, openmc.Universe]:
+    def get_all_universes(self) -> dict[int, openmc.Universe]:
         """Return all universes in the geometry.
 
         Returns
@@ -392,7 +391,7 @@ class Geometry:
         universes.update(self.root_universe.get_all_universes())
         return universes
 
-    def get_all_nuclides(self) -> typing.List[str]:
+    def get_all_nuclides(self) -> list[str]:
         """Return all nuclides within the geometry.
 
         Returns
@@ -406,7 +405,7 @@ class Geometry:
             all_nuclides |= set(material.get_nuclides())
         return sorted(all_nuclides)
 
-    def get_all_materials(self) -> typing.Dict[int, openmc.Material]:
+    def get_all_materials(self) -> dict[int, openmc.Material]:
         """Return all materials within the geometry.
 
         Returns
@@ -421,7 +420,7 @@ class Geometry:
         else:
             return {}
 
-    def get_all_material_cells(self) -> typing.Dict[int, openmc.Cell]:
+    def get_all_material_cells(self) -> dict[int, openmc.Cell]:
         """Return all cells filled by a material
 
         Returns
@@ -440,7 +439,7 @@ class Geometry:
 
         return material_cells
 
-    def get_all_material_universes(self) -> typing.Dict[int, openmc.Universe]:
+    def get_all_material_universes(self) -> dict[int, openmc.Universe]:
         """Return all universes having at least one material-filled cell.
 
         This method can be used to find universes that have at least one cell
@@ -463,7 +462,7 @@ class Geometry:
 
         return material_universes
 
-    def get_all_lattices(self) -> typing.Dict[int, openmc.Lattice]:
+    def get_all_lattices(self) -> dict[int, openmc.Lattice]:
         """Return all lattices defined
 
         Returns
@@ -481,7 +480,7 @@ class Geometry:
 
         return lattices
 
-    def get_all_surfaces(self) -> typing.Dict[int, openmc.Surface]:
+    def get_all_surfaces(self) -> dict[int, openmc.Surface]:
         """
         Return all surfaces used in the geometry
 
@@ -517,7 +516,7 @@ class Geometry:
 
     def get_materials_by_name(
         self, name, case_sensitive=False, matching=False
-    ) -> typing.List[openmc.Material]:
+    ) -> list[openmc.Material]:
         """Return a list of materials with matching names.
 
         Parameters
@@ -540,7 +539,7 @@ class Geometry:
 
     def get_cells_by_name(
         self, name, case_sensitive=False, matching=False
-    ) -> typing.List[openmc.Cell]:
+    ) -> list[openmc.Cell]:
         """Return a list of cells with matching names.
 
         Parameters
@@ -563,7 +562,7 @@ class Geometry:
 
     def get_surfaces_by_name(
         self, name, case_sensitive=False, matching=False
-    ) -> typing.List[openmc.Surface]:
+    ) -> list[openmc.Surface]:
         """Return a list of surfaces with matching names.
 
         .. versionadded:: 0.13.3
@@ -588,7 +587,7 @@ class Geometry:
 
     def get_cells_by_fill_name(
         self, name, case_sensitive=False, matching=False
-    ) -> typing.List[openmc.Cell]:
+    ) -> list[openmc.Cell]:
         """Return a list of cells with fills with matching names.
 
         Parameters
@@ -635,7 +634,7 @@ class Geometry:
 
     def get_universes_by_name(
         self, name, case_sensitive=False, matching=False
-    ) -> typing.List[openmc.Universe]:
+    ) -> list[openmc.Universe]:
         """Return a list of universes with matching names.
 
         Parameters
@@ -658,7 +657,7 @@ class Geometry:
 
     def get_lattices_by_name(
         self, name, case_sensitive=False, matching=False
-    ) -> typing.List[openmc.Lattice]:
+    ) -> list[openmc.Lattice]:
         """Return a list of lattices with matching names.
 
         Parameters
@@ -679,7 +678,7 @@ class Geometry:
         """
         return self._get_domains_by_name(name, case_sensitive, matching, 'lattice')
 
-    def remove_redundant_surfaces(self) -> typing.Dict[int, openmc.Surface]:
+    def remove_redundant_surfaces(self) -> dict[int, openmc.Surface]:
         """Remove and return all of the redundant surfaces.
 
         Uses surface_precision attribute of Geometry instance for rounding and
diff --git a/openmc/lib/mesh.py b/openmc/lib/mesh.py
index 3546112b5..78566d449 100644
--- a/openmc/lib/mesh.py
+++ b/openmc/lib/mesh.py
@@ -1,8 +1,7 @@
-from collections.abc import Mapping
+from collections.abc import Mapping, Sequence
 from ctypes import (c_int, c_int32, c_char_p, c_double, POINTER, Structure,
                     create_string_buffer, c_uint64, c_size_t)
 from random import getrandbits
-from typing import Optional, List, Tuple, Sequence
 from weakref import WeakValueDictionary
 
 import numpy as np
@@ -170,8 +169,8 @@ class Mesh(_FortranObjectWithID):
     def material_volumes(
             self,
             n_samples: int = 10_000,
-            prn_seed: Optional[int] = None
-    ) -> List[List[Tuple[Material, float]]]:
+            prn_seed: int | None = None
+    ) -> list[list[tuple[Material, float]]]:
         """Determine volume of materials in each mesh element
 
         .. versionadded:: 0.15.0
diff --git a/openmc/material.py b/openmc/material.py
index 4b871b77d..5b958c75a 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -5,9 +5,7 @@ from copy import deepcopy
 from numbers import Real
 from pathlib import Path
 import re
-import typing  # imported separately as py3.8 requires typing.Iterable
 import warnings
-from typing import Optional, List, Union, Dict
 
 import lxml.etree as ET
 import numpy as np
@@ -161,11 +159,11 @@ class Material(IDManagerMixin):
         return string
 
     @property
-    def name(self) -> Optional[str]:
+    def name(self) -> str | None:
         return self._name
 
     @name.setter
-    def name(self, name: Optional[str]):
+    def name(self, name: str | None):
         if name is not None:
             cv.check_type(f'name for Material ID="{self._id}"',
                           name, str)
@@ -174,17 +172,17 @@ class Material(IDManagerMixin):
             self._name = ''
 
     @property
-    def temperature(self) -> Optional[float]:
+    def temperature(self) -> float | None:
         return self._temperature
 
     @temperature.setter
-    def temperature(self, temperature: Optional[Real]):
+    def temperature(self, temperature: Real | None):
         cv.check_type(f'Temperature for Material ID="{self._id}"',
                       temperature, (Real, type(None)))
         self._temperature = temperature
 
     @property
-    def density(self) -> Optional[float]:
+    def density(self) -> float | None:
         return self._density
 
     @property
@@ -202,7 +200,7 @@ class Material(IDManagerMixin):
         self._depletable = depletable
 
     @property
-    def paths(self) -> List[str]:
+    def paths(self) -> list[str]:
         if self._paths is None:
             raise ValueError('Material instance paths have not been determined. '
                              'Call the Geometry.determine_paths() method.')
@@ -217,15 +215,15 @@ class Material(IDManagerMixin):
         return self._num_instances
 
     @property
-    def nuclides(self) -> List[namedtuple]:
+    def nuclides(self) -> list[namedtuple]:
         return self._nuclides
 
     @property
-    def isotropic(self) -> List[str]:
+    def isotropic(self) -> list[str]:
         return self._isotropic
 
     @isotropic.setter
-    def isotropic(self, isotropic: typing.Iterable[str]):
+    def isotropic(self, isotropic: Iterable[str]):
         cv.check_iterable_type('Isotropic scattering nuclides', isotropic,
                                str)
         self._isotropic = list(isotropic)
@@ -248,7 +246,7 @@ class Material(IDManagerMixin):
         return mass / moles
 
     @property
-    def volume(self) -> Optional[float]:
+    def volume(self) -> float | None:
         return self._volume
 
     @volume.setter
@@ -258,7 +256,7 @@ class Material(IDManagerMixin):
         self._volume = volume
 
     @property
-    def ncrystal_cfg(self) -> Optional[str]:
+    def ncrystal_cfg(self) -> str | None:
         return self._ncrystal_cfg
 
     @property
@@ -274,7 +272,7 @@ class Material(IDManagerMixin):
         return density*self.volume
 
     @property
-    def decay_photon_energy(self) -> Optional[Univariate]:
+    def decay_photon_energy(self) -> Univariate | None:
         warnings.warn(
             "The 'decay_photon_energy' property has been replaced by the "
             "get_decay_photon_energy() method and will be removed in a future "
@@ -285,8 +283,8 @@ class Material(IDManagerMixin):
             self,
             clip_tolerance: float = 1e-6,
             units: str = 'Bq',
-            volume: Optional[float] = None
-        ) -> Optional[Univariate]:
+            volume: float | None = None
+        ) -> Univariate | None:
         r"""Return energy distribution of decay photons from unstable nuclides.
 
         .. versionadded:: 0.14.0
@@ -471,7 +469,7 @@ class Material(IDManagerMixin):
         else:
             raise ValueError(f'No volume information found for material ID={self.id}.')
 
-    def set_density(self, units: str, density: Optional[float] = None):
+    def set_density(self, units: str, density: float | None = None):
         """Set the density of the material
 
         Parameters
@@ -685,10 +683,10 @@ class Material(IDManagerMixin):
             self._macroscopic = None
 
     def add_element(self, element: str, percent: float, percent_type: str = 'ao',
-                    enrichment: Optional[float] = None,
-                    enrichment_target: Optional[str] = None,
-                    enrichment_type: Optional[str] = None,
-                    cross_sections: Optional[str] = None):
+                    enrichment: float | None = None,
+                    enrichment_target: str | None = None,
+                    enrichment_type: str | None = None,
+                    cross_sections: str | None = None):
         """Add a natural element to the material
 
         Parameters
@@ -799,9 +797,9 @@ class Material(IDManagerMixin):
             self.add_nuclide(*nuclide)
 
     def add_elements_from_formula(self, formula: str, percent_type: str = 'ao',
-                                  enrichment: Optional[float] = None,
-                                  enrichment_target: Optional[str] = None,
-                                  enrichment_type: Optional[str] = None):
+                                  enrichment: float | None = None,
+                                  enrichment_target: str | None = None,
+                                  enrichment_type: str | None = None):
         """Add a elements from a chemical formula to the material.
 
         .. versionadded:: 0.12
@@ -930,7 +928,7 @@ class Material(IDManagerMixin):
     def make_isotropic_in_lab(self):
         self.isotropic = [x.name for x in self._nuclides]
 
-    def get_elements(self) -> List[str]:
+    def get_elements(self) -> list[str]:
         """Returns all elements in the material
 
         .. versionadded:: 0.12
@@ -944,7 +942,7 @@ class Material(IDManagerMixin):
 
         return sorted({re.split(r'(\d+)', i)[0] for i in self.get_nuclides()})
 
-    def get_nuclides(self, element: Optional[str] = None) -> List[str]:
+    def get_nuclides(self, element: str | None = None) -> list[str]:
         """Returns a list of all nuclides in the material, if the element
         argument is specified then just nuclides of that element are returned.
 
@@ -974,7 +972,7 @@ class Material(IDManagerMixin):
 
         return matching_nuclides
 
-    def get_nuclide_densities(self) -> Dict[str, tuple]:
+    def get_nuclide_densities(self) -> dict[str, tuple]:
         """Returns all nuclides in the material and their densities
 
         Returns
@@ -992,7 +990,7 @@ class Material(IDManagerMixin):
 
         return nuclides
 
-    def get_nuclide_atom_densities(self, nuclide: Optional[str] = None) -> Dict[str, float]:
+    def get_nuclide_atom_densities(self, nuclide: str | None = None) -> dict[str, float]:
         """Returns one or all nuclides in the material and their atomic
         densities in units of atom/b-cm
 
@@ -1078,7 +1076,7 @@ class Material(IDManagerMixin):
         return nuclides
 
     def get_activity(self, units: str = 'Bq/cm3', by_nuclide: bool = False,
-                     volume: Optional[float] = None) -> Union[Dict[str, float], float]:
+                     volume: float | None = None) -> dict[str, float] | float:
         """Returns the activity of the material or for each nuclide in the
         material in units of [Bq], [Bq/g] or [Bq/cm3].
 
@@ -1101,7 +1099,7 @@ class Material(IDManagerMixin):
 
         Returns
         -------
-        typing.Union[dict, float]
+        Union[dict, float]
             If by_nuclide is True then a dictionary whose keys are nuclide
             names and values are activity is returned. Otherwise the activity
             of the material is returned as a float.
@@ -1125,7 +1123,7 @@ class Material(IDManagerMixin):
         return activity if by_nuclide else sum(activity.values())
 
     def get_decay_heat(self, units: str = 'W', by_nuclide: bool = False,
-                       volume: Optional[float] = None) -> Union[Dict[str, float], float]:
+                       volume: float | None = None) -> dict[str, float] | float:
         """Returns the decay heat of the material or for each nuclide in the
         material in units of [W], [W/g] or [W/cm3].
 
@@ -1173,7 +1171,7 @@ class Material(IDManagerMixin):
 
         return decayheat if by_nuclide else sum(decayheat.values())
 
-    def get_nuclide_atoms(self, volume: Optional[float] = None) -> Dict[str, float]:
+    def get_nuclide_atoms(self, volume: float | None = None) -> dict[str, float]:
         """Return number of atoms of each nuclide in the material
 
         .. versionadded:: 0.13.1
@@ -1202,7 +1200,7 @@ class Material(IDManagerMixin):
             atoms[nuclide] = 1.0e24 * atom_per_bcm * volume
         return atoms
 
-    def get_mass_density(self, nuclide: Optional[str] = None) -> float:
+    def get_mass_density(self, nuclide: str | None = None) -> float:
         """Return mass density of one or all nuclides
 
         Parameters
@@ -1224,7 +1222,7 @@ class Material(IDManagerMixin):
             mass_density += density_i
         return mass_density
 
-    def get_mass(self, nuclide: Optional[str] = None, volume: Optional[float] = None) -> float:
+    def get_mass(self, nuclide: str | None = None, volume: float | None = None) -> float:
         """Return mass of one or all nuclides.
 
         Note that this method requires that the :attr:`Material.volume` has
@@ -1254,7 +1252,7 @@ class Material(IDManagerMixin):
             raise ValueError("Volume must be set in order to determine mass.")
         return volume*self.get_mass_density(nuclide)
 
-    def clone(self, memo: Optional[dict] = None) -> Material:
+    def clone(self, memo: dict | None = None) -> Material:
         """Create a copy of this material with a new unique ID.
 
         Parameters
@@ -1311,8 +1309,8 @@ class Material(IDManagerMixin):
         return xml_element
 
     def _get_nuclides_xml(
-            self, nuclides: typing.Iterable[NuclideTuple],
-            nuclides_to_ignore: Optional[typing.Iterable[str]] = None)-> List[ET.Element]:
+            self, nuclides: Iterable[NuclideTuple],
+            nuclides_to_ignore: Iterable[str] | None = None)-> list[ET.Element]:
         xml_elements = []
 
         # Remove any nuclides to ignore from the XML export
@@ -1324,7 +1322,7 @@ class Material(IDManagerMixin):
         return xml_elements
 
     def to_xml_element(
-            self, nuclides_to_ignore: Optional[typing.Iterable[str]] = None) -> ET.Element:
+            self, nuclides_to_ignore: Iterable[str] | None = None) -> ET.Element:
         """Return XML representation of the material
 
         Parameters
@@ -1398,8 +1396,8 @@ class Material(IDManagerMixin):
         return element
 
     @classmethod
-    def mix_materials(cls, materials, fracs: typing.Iterable[float],
-                      percent_type: str = 'ao', name: Optional[str] = None) -> Material:
+    def mix_materials(cls, materials, fracs: Iterable[float],
+                      percent_type: str = 'ao', name: str | None = None) -> Material:
         """Mix materials together based on atom, weight, or volume fractions
 
         .. versionadded:: 0.12
@@ -1596,7 +1594,7 @@ class Materials(cv.CheckedList):
             self += materials
 
     @property
-    def cross_sections(self) -> Optional[Path]:
+    def cross_sections(self) -> Path | None:
         return self._cross_sections
 
     @cross_sections.setter
@@ -1686,7 +1684,7 @@ class Materials(cv.CheckedList):
             file.write(indentation)
 
     def export_to_xml(self, path: PathLike = 'materials.xml',
-                      nuclides_to_ignore: Optional[typing.Iterable[str]] = None):
+                      nuclides_to_ignore: Iterable[str] | None = None):
         """Export material collection to an XML file.
 
         Parameters
diff --git a/openmc/mesh.py b/openmc/mesh.py
index ee58ec3b8..85af6a009 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -1,14 +1,12 @@
 from __future__ import annotations
-import typing
 import warnings
 from abc import ABC, abstractmethod
-from collections.abc import Iterable
+from collections.abc import Iterable, Sequence
 from functools import wraps
 from math import pi, sqrt, atan2
 from numbers import Integral, Real
 from pathlib import Path
 import tempfile
-from typing import Optional, Sequence, Tuple, List
 
 import h5py
 import lxml.etree as ET
@@ -49,7 +47,7 @@ class MeshBase(IDManagerMixin, ABC):
     next_id = 1
     used_ids = set()
 
-    def __init__(self, mesh_id: Optional[int] = None, name: str = ''):
+    def __init__(self, mesh_id: int | None = None, name: str = ''):
         # Initialize Mesh class attributes
         self.id = mesh_id
         self.name = name
@@ -151,10 +149,10 @@ class MeshBase(IDManagerMixin, ABC):
             self,
             model: openmc.Model,
             n_samples: int = 10_000,
-            prn_seed: Optional[int] = None,
+            prn_seed: int | None = None,
             include_void: bool = True,
             **kwargs
-    ) -> List[openmc.Material]:
+    ) -> list[openmc.Material]:
         """Generate homogenized materials over each element in a mesh.
 
         .. versionadded:: 0.15.0
@@ -393,7 +391,7 @@ class StructuredMesh(MeshBase):
 
     def write_data_to_vtk(self,
                           filename: PathLike,
-                          datasets: Optional[dict] = None,
+                          datasets: dict | None = None,
                           volume_normalization: bool = True,
                           curvilinear: bool = False):
         """Creates a VTK object of the mesh
@@ -642,7 +640,7 @@ class RegularMesh(StructuredMesh):
 
     """
 
-    def __init__(self, mesh_id: Optional[int] = None, name: str = ''):
+    def __init__(self, mesh_id: int | None = None, name: str = ''):
         super().__init__(mesh_id, name)
 
         self._dimension = None
@@ -655,7 +653,7 @@ class RegularMesh(StructuredMesh):
         return tuple(self._dimension)
 
     @dimension.setter
-    def dimension(self, dimension: typing.Iterable[int]):
+    def dimension(self, dimension: Iterable[int]):
         cv.check_type('mesh dimension', dimension, Iterable, Integral)
         cv.check_length('mesh dimension', dimension, 1, 3)
         self._dimension = dimension
@@ -672,7 +670,7 @@ class RegularMesh(StructuredMesh):
         return self._lower_left
 
     @lower_left.setter
-    def lower_left(self, lower_left: typing.Iterable[Real]):
+    def lower_left(self, lower_left: Iterable[Real]):
         cv.check_type('mesh lower_left', lower_left, Iterable, Real)
         cv.check_length('mesh lower_left', lower_left, 1, 3)
         self._lower_left = lower_left
@@ -692,7 +690,7 @@ class RegularMesh(StructuredMesh):
                 return [l + w * d for l, w, d in zip(ls, ws, dims)]
 
     @upper_right.setter
-    def upper_right(self, upper_right: typing.Iterable[Real]):
+    def upper_right(self, upper_right: Iterable[Real]):
         cv.check_type('mesh upper_right', upper_right, Iterable, Real)
         cv.check_length('mesh upper_right', upper_right, 1, 3)
         self._upper_right = upper_right
@@ -716,7 +714,7 @@ class RegularMesh(StructuredMesh):
                 return [(u - l) / d for u, l, d in zip(us, ls, dims)]
 
     @width.setter
-    def width(self, width: typing.Iterable[Real]):
+    def width(self, width: Iterable[Real]):
         cv.check_type('mesh width', width, Iterable, Real)
         cv.check_length('mesh width', width, 1, 3)
         self._width = width
@@ -815,7 +813,7 @@ class RegularMesh(StructuredMesh):
         cls,
         lattice: 'openmc.RectLattice',
         division: int = 1,
-        mesh_id: Optional[int] = None,
+        mesh_id: int | None = None,
         name: str = ''
     ):
         """Create mesh from an existing rectangular lattice
@@ -853,9 +851,9 @@ class RegularMesh(StructuredMesh):
     @classmethod
     def from_domain(
         cls,
-        domain: typing.Union['openmc.Cell', 'openmc.Region', 'openmc.Universe', 'openmc.Geometry'],
+        domain: 'openmc.Cell' | 'openmc.Region' | 'openmc.Universe' | 'openmc.Geometry',
         dimension: Sequence[int] = (10, 10, 10),
-        mesh_id: Optional[int] = None,
+        mesh_id: int | None = None,
         name: str = ''
     ):
         """Create mesh from an existing openmc cell, region, universe or
@@ -962,7 +960,7 @@ class RegularMesh(StructuredMesh):
 
         return mesh
 
-    def build_cells(self, bc: Optional[str] = None):
+    def build_cells(self, bc: str | None = None):
         """Generates a lattice of universes with the same dimensionality
         as the mesh object.  The individual cells/universes produced
         will not have material definitions applied and so downstream code
@@ -1363,7 +1361,7 @@ class CylindricalMesh(StructuredMesh):
         z_grid: Sequence[float],
         phi_grid: Sequence[float] = (0, 2*pi),
         origin: Sequence[float] = (0., 0., 0.),
-        mesh_id: Optional[int] = None,
+        mesh_id: int | None = None,
         name: str = '',
     ):
         super().__init__(mesh_id, name)
@@ -1484,7 +1482,7 @@ class CylindricalMesh(StructuredMesh):
     def get_indices_at_coords(
             self,
             coords: Sequence[float]
-        ) -> Tuple[int, int, int]:
+        ) -> tuple[int, int, int]:
         """Finds the index of the mesh voxel at the specified x,y,z coordinates.
 
         .. versionadded:: 0.15.0
@@ -1496,7 +1494,7 @@ class CylindricalMesh(StructuredMesh):
 
         Returns
         -------
-        Tuple[int, int, int]
+        tuple[int, int, int]
             The r, phi, z indices
 
         """
@@ -1562,9 +1560,9 @@ class CylindricalMesh(StructuredMesh):
     @classmethod
     def from_domain(
         cls,
-        domain: typing.Union['openmc.Cell', 'openmc.Region', 'openmc.Universe', 'openmc.Geometry'],
+        domain: 'openmc.Cell' | 'openmc.Region' | 'openmc.Universe' | 'openmc.Geometry',
         dimension: Sequence[int] = (10, 10, 10),
-        mesh_id: Optional[int] = None,
+        mesh_id: int | None = None,
         phi_grid_bounds: Sequence[float] = (0.0, 2*pi),
         name: str = ''
     ):
@@ -1813,7 +1811,7 @@ class SphericalMesh(StructuredMesh):
         phi_grid: Sequence[float] = (0, 2*pi),
         theta_grid: Sequence[float] = (0, pi),
         origin: Sequence[float] = (0., 0., 0.),
-        mesh_id: Optional[int] = None,
+        mesh_id: int | None = None,
         name: str = '',
     ):
         super().__init__(mesh_id, name)
@@ -2139,9 +2137,9 @@ class UnstructuredMesh(MeshBase):
     _LINEAR_TET = 0
     _LINEAR_HEX = 1
 
-    def __init__(self, filename: PathLike, library: str, mesh_id: Optional[int] = None,
+    def __init__(self, filename: PathLike, library: str, mesh_id: int | None = None,
                  name: str = '', length_multiplier: float = 1.0,
-                 options: Optional[str] = None):
+                 options: str | None = None):
         super().__init__(mesh_id, name)
         self.filename = filename
         self._volumes = None
@@ -2173,11 +2171,11 @@ class UnstructuredMesh(MeshBase):
         self._library = lib
 
     @property
-    def options(self) -> Optional[str]:
+    def options(self) -> str | None:
         return self._options
 
     @options.setter
-    def options(self, options: Optional[str]):
+    def options(self, options: str | None):
         cv.check_type('options', options, (str, type(None)))
         self._options = options
 
@@ -2215,7 +2213,7 @@ class UnstructuredMesh(MeshBase):
         return self._volumes
 
     @volumes.setter
-    def volumes(self, volumes: typing.Iterable[Real]):
+    def volumes(self, volumes: Iterable[Real]):
         cv.check_type("Unstructured mesh volumes", volumes, Iterable, Real)
         self._volumes = volumes
 
@@ -2353,8 +2351,8 @@ class UnstructuredMesh(MeshBase):
 
     def write_data_to_vtk(
             self,
-            filename: Optional[PathLike] = None,
-            datasets: Optional[dict] = None,
+            filename: PathLike | None  = None,
+            datasets: dict | None = None,
             volume_normalization: bool = True
     ):
         """Map data to unstructured VTK mesh elements.
diff --git a/openmc/model/model.py b/openmc/model/model.py
index 2160c97e6..2ea579ab7 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -6,7 +6,6 @@ from pathlib import Path
 from numbers import Integral
 from tempfile import NamedTemporaryFile
 import warnings
-from typing import Optional, Dict
 
 import h5py
 import lxml.etree as ET
@@ -83,7 +82,7 @@ class Model:
             self.plots = plots
 
     @property
-    def geometry(self) -> Optional[openmc.Geometry]:
+    def geometry(self) -> openmc.Geometry | None:
         return self._geometry
 
     @geometry.setter
@@ -92,7 +91,7 @@ class Model:
         self._geometry = geometry
 
     @property
-    def materials(self) -> Optional[openmc.Materials]:
+    def materials(self) -> openmc.Materials | None:
         return self._materials
 
     @materials.setter
@@ -106,7 +105,7 @@ class Model:
                 self._materials.append(mat)
 
     @property
-    def settings(self) -> Optional[openmc.Settings]:
+    def settings(self) -> openmc.Settings | None:
         return self._settings
 
     @settings.setter
@@ -115,7 +114,7 @@ class Model:
         self._settings = settings
 
     @property
-    def tallies(self) -> Optional[openmc.Tallies]:
+    def tallies(self) -> openmc.Tallies | None:
         return self._tallies
 
     @tallies.setter
@@ -129,7 +128,7 @@ class Model:
                 self._tallies.append(tally)
 
     @property
-    def plots(self) -> Optional[openmc.Plots]:
+    def plots(self) -> openmc.Plots | None:
         return self._plots
 
     @plots.setter
@@ -169,7 +168,7 @@ class Model:
 
     @property
     @lru_cache(maxsize=None)
-    def _cells_by_name(self) -> Dict[int, openmc.Cell]:
+    def _cells_by_name(self) -> dict[int, openmc.Cell]:
         # Get the names maps, but since names are not unique, store a set for
         # each name key. In this way when the user requests a change by a name,
         # the change will be applied to all of the same name.
@@ -182,7 +181,7 @@ class Model:
 
     @property
     @lru_cache(maxsize=None)
-    def _materials_by_name(self) -> Dict[int, openmc.Material]:
+    def _materials_by_name(self) -> dict[int, openmc.Material]:
         if self.materials is None:
             mats = self.geometry.get_all_materials().values()
         else:
diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index 2945f73b7..29411fe46 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -1,12 +1,11 @@
 from abc import ABC, abstractmethod
-from collections.abc import Iterable
+from collections.abc import Iterable, Sequence
 from copy import copy
 from functools import partial
 from math import sqrt, pi, sin, cos, isclose
 from numbers import Real
 import warnings
 import operator
-from typing import Sequence
 
 import numpy as np
 from scipy.spatial import ConvexHull, Delaunay
diff --git a/openmc/plots.py b/openmc/plots.py
index 0d9dca30e..7532d9d5c 100644
--- a/openmc/plots.py
+++ b/openmc/plots.py
@@ -1,7 +1,6 @@
 from collections.abc import Iterable, Mapping
 from numbers import Integral, Real
 from pathlib import Path
-from typing import Optional
 
 import h5py
 import lxml.etree as ET
@@ -942,7 +941,7 @@ class Plot(PlotBase):
         # Return produced image
         return _get_plot_image(self, cwd)
 
-    def to_vtk(self, output: Optional[PathLike] = None,
+    def to_vtk(self, output: PathLike | None = None,
                openmc_exec: str = 'openmc', cwd: str = '.'):
         """Render plot as an voxel image
 
diff --git a/openmc/settings.py b/openmc/settings.py
index 807662581..ce97f138f 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -4,8 +4,6 @@ import itertools
 from math import ceil
 from numbers import Integral, Real
 from pathlib import Path
-import typing  # required to prevent typing.Union namespace overwriting Union
-from typing import Optional
 
 import lxml.etree as ET
 
@@ -514,7 +512,7 @@ class Settings:
         return self._max_order
 
     @max_order.setter
-    def max_order(self, max_order: Optional[int]):
+    def max_order(self, max_order: int | None):
         if max_order is not None:
             cv.check_type('maximum scattering order', max_order, Integral)
             cv.check_greater_than('maximum scattering order', max_order, 0,
@@ -522,11 +520,11 @@ class Settings:
         self._max_order = max_order
 
     @property
-    def source(self) -> typing.List[SourceBase]:
+    def source(self) -> list[SourceBase]:
         return self._source
 
     @source.setter
-    def source(self, source: typing.Union[SourceBase, typing.Iterable[SourceBase]]):
+    def source(self, source: SourceBase | Iterable[SourceBase]):
         if not isinstance(source, MutableSequence):
             source = [source]
         self._source = cv.CheckedList(SourceBase, 'source distributions', source)
@@ -804,7 +802,7 @@ class Settings:
         self._temperature = temperature
 
     @property
-    def trace(self) -> typing.Iterable:
+    def trace(self) -> Iterable:
         return self._trace
 
     @trace.setter
@@ -817,11 +815,11 @@ class Settings:
         self._trace = trace
 
     @property
-    def track(self) -> typing.Iterable[typing.Iterable[int]]:
+    def track(self) -> Iterable[Iterable[int]]:
         return self._track
 
     @track.setter
-    def track(self, track: typing.Iterable[typing.Iterable[int]]):
+    def track(self, track: Iterable[Iterable[int]]):
         cv.check_type('track', track, Sequence)
         for t in track:
             if len(t) != 3:
@@ -904,12 +902,12 @@ class Settings:
         self._resonance_scattering = res
 
     @property
-    def volume_calculations(self) -> typing.List[VolumeCalculation]:
+    def volume_calculations(self) -> list[VolumeCalculation]:
         return self._volume_calculations
 
     @volume_calculations.setter
     def volume_calculations(
-        self, vol_calcs: typing.Union[VolumeCalculation, typing.Iterable[VolumeCalculation]]
+        self, vol_calcs: VolumeCalculation | Iterable[VolumeCalculation]
     ):
         if not isinstance(vol_calcs, MutableSequence):
             vol_calcs = [vol_calcs]
@@ -1003,11 +1001,11 @@ class Settings:
         self._write_initial_source = value
 
     @property
-    def weight_windows(self) -> typing.List[WeightWindows]:
+    def weight_windows(self) -> list[WeightWindows]:
         return self._weight_windows
 
     @weight_windows.setter
-    def weight_windows(self, value: typing.Union[WeightWindows, typing.Iterable[WeightWindows]]):
+    def weight_windows(self, value: WeightWindows | Iterable[WeightWindows]):
         if not isinstance(value, MutableSequence):
             value = [value]
         self._weight_windows = cv.CheckedList(WeightWindows, 'weight windows', value)
@@ -1056,7 +1054,7 @@ class Settings:
         self._max_tracks = value
 
     @property
-    def weight_windows_file(self) -> Optional[PathLike]:
+    def weight_windows_file(self) -> PathLike | None:
         return self._weight_windows_file
 
     @weight_windows_file.setter
@@ -1065,7 +1063,7 @@ class Settings:
         self._weight_windows_file = value
 
     @property
-    def weight_window_generators(self) -> typing.List[WeightWindowGenerator]:
+    def weight_window_generators(self) -> list[WeightWindowGenerator]:
         return self._weight_window_generators
 
     @weight_window_generators.setter
diff --git a/openmc/source.py b/openmc/source.py
index 51ed74de3..e35e62f5f 100644
--- a/openmc/source.py
+++ b/openmc/source.py
@@ -1,12 +1,10 @@
 from __future__ import annotations
 from abc import ABC, abstractmethod
-from collections.abc import Iterable
+from collections.abc import Iterable, Sequence
 from enum import IntEnum
 from numbers import Real
 import warnings
-import typing  # imported separately as py3.8 requires typing.Iterable
-# also required to prevent typing.Union namespace overwriting Union
-from typing import Optional, Sequence, Dict, Any
+from typing import Any
 
 import lxml.etree as ET
 import numpy as np
@@ -57,8 +55,8 @@ class SourceBase(ABC):
 
     def __init__(
         self,
-        strength: Optional[float] = 1.0,
-        constraints: Optional[Dict[str, Any]] = None
+        strength: float | None = 1.0,
+        constraints: dict[str, Any] | None = None
     ):
         self.strength = strength
         self.constraints = constraints
@@ -75,11 +73,11 @@ class SourceBase(ABC):
         self._strength = strength
 
     @property
-    def constraints(self) -> Dict[str, Any]:
+    def constraints(self) -> dict[str, Any]:
         return self._constraints
 
     @constraints.setter
-    def constraints(self, constraints: Optional[Dict[str, Any]]):
+    def constraints(self, constraints: dict[str, Any] | None):
         self._constraints = {}
         if constraints is None:
             return
@@ -200,7 +198,7 @@ class SourceBase(ABC):
                 raise ValueError(f'Source type {source_type} is not recognized')
 
     @staticmethod
-    def _get_constraints(elem: ET.Element) -> Dict[str, Any]:
+    def _get_constraints(elem: ET.Element) -> dict[str, Any]:
         # Find element containing constraints
         constraints_elem = elem.find("constraints")
         elem = constraints_elem if constraints_elem is not None else elem
@@ -308,14 +306,14 @@ class IndependentSource(SourceBase):
 
     def __init__(
         self,
-        space: Optional[openmc.stats.Spatial] = None,
-        angle: Optional[openmc.stats.UnitSphere] = None,
-        energy: Optional[openmc.stats.Univariate] = None,
-        time: Optional[openmc.stats.Univariate] = None,
+        space: openmc.stats.Spatial | None = None,
+        angle: openmc.stats.UnitSphere | None = None,
+        energy: openmc.stats.Univariate | None = None,
+        time: openmc.stats.Univariate | None = None,
         strength: float = 1.0,
         particle: str = 'neutron',
-        domains: Optional[Sequence[typing.Union[openmc.Cell, openmc.Material, openmc.Universe]]] = None,
-        constraints: Optional[Dict[str, Any]] = None
+        domains: Sequence[openmc.Cell | openmc.Material | openmc.Universe] | None = None,
+        constraints: dict[str, Any] | None = None
     ):
         if domains is not None:
             warnings.warn("The 'domains' arguments has been replaced by the "
@@ -528,7 +526,7 @@ class MeshSource(SourceBase):
             self,
             mesh: MeshBase,
             sources: Sequence[SourceBase],
-            constraints: Optional[Dict[str, Any]] = None,
+            constraints: dict[str, Any] | None  = None,
     ):
         super().__init__(strength=None, constraints=constraints)
         self.mesh = mesh
@@ -702,10 +700,10 @@ class CompiledSource(SourceBase):
     """
     def __init__(
         self,
-        library: Optional[str] = None,
-        parameters: Optional[str] = None,
+        library: str | None  = None,
+        parameters: str | None = None,
         strength: float = 1.0,
-        constraints: Optional[Dict[str, Any]] = None
+        constraints: dict[str, Any] | None = None
     ) -> None:
         super().__init__(strength=strength, constraints=constraints)
 
@@ -829,9 +827,9 @@ class FileSource(SourceBase):
 
     def __init__(
         self,
-        path: Optional[PathLike] = None,
+        path: PathLike | None = None,
         strength: float = 1.0,
-        constraints: Optional[Dict[str, Any]] = None
+        constraints: dict[str, Any] | None = None
     ):
         super().__init__(strength=strength, constraints=constraints)
         self._path = None
@@ -966,8 +964,8 @@ class SourceParticle:
     """
     def __init__(
         self,
-        r: typing.Iterable[float] = (0., 0., 0.),
-        u: typing.Iterable[float] = (0., 0., 1.),
+        r: Iterable[float] = (0., 0., 0.),
+        u: Iterable[float] = (0., 0., 1.),
         E: float = 1.0e6,
         time: float = 0.0,
         wgt: float = 1.0,
@@ -1003,7 +1001,7 @@ class SourceParticle:
 
 
 def write_source_file(
-    source_particles: typing.Iterable[SourceParticle],
+    source_particles: Iterable[SourceParticle],
     filename: PathLike, **kwargs
 ):
     """Write a source file using a collection of source particles
@@ -1046,7 +1044,7 @@ def write_source_file(
         fh.create_dataset('source_bank', data=arr, dtype=source_dtype)
 
 
-def read_source_file(filename: PathLike) -> typing.List[SourceParticle]:
+def read_source_file(filename: PathLike) -> list[SourceParticle]:
     """Read a source file and return a list of source particles.
 
     .. versionadded:: 0.15.0
diff --git a/openmc/stats/multivariate.py b/openmc/stats/multivariate.py
index ce9740ad2..06c65896f 100644
--- a/openmc/stats/multivariate.py
+++ b/openmc/stats/multivariate.py
@@ -1,7 +1,6 @@
 from __future__ import annotations
-import typing
 from abc import ABC, abstractmethod
-from collections.abc import Iterable
+from collections.abc import Iterable, Sequence
 from math import cos, pi
 from numbers import Real
 from warnings import warn
@@ -9,6 +8,7 @@ from warnings import warn
 import lxml.etree as ET
 import numpy as np
 
+import openmc
 import openmc.checkvalue as cv
 from .._xml import get_text
 from ..mesh import MeshBase
@@ -212,7 +212,7 @@ class Monodirectional(UnitSphere):
 
     """
 
-    def __init__(self, reference_uvw: typing.Sequence[float] = [1., 0., 0.]):
+    def __init__(self, reference_uvw: Sequence[float] = [1., 0., 0.]):
         super().__init__(reference_uvw)
 
     def to_xml_element(self):
@@ -789,8 +789,8 @@ class Box(Spatial):
 
     def __init__(
         self,
-        lower_left: typing.Sequence[float],
-        upper_right: typing.Sequence[float],
+        lower_left: Sequence[float],
+        upper_right: Sequence[float],
         only_fissionable: bool = False
     ):
         self.lower_left = lower_left
@@ -889,7 +889,7 @@ class Point(Spatial):
 
     """
 
-    def __init__(self, xyz: typing.Sequence[float] = (0., 0., 0.)):
+    def __init__(self, xyz: Sequence[float] = (0., 0., 0.)):
         self.xyz = xyz
 
     @property
@@ -939,9 +939,9 @@ class Point(Spatial):
 def spherical_uniform(
         r_outer: float,
         r_inner: float = 0.0,
-        thetas: typing.Sequence[float] = (0., pi),
-        phis: typing.Sequence[float] = (0., 2*pi),
-        origin: typing.Sequence[float] = (0., 0., 0.)
+        thetas: Sequence[float] = (0., pi),
+        phis: Sequence[float] = (0., 2*pi),
+        origin: Sequence[float] = (0., 0., 0.)
     ):
     """Return a uniform spatial distribution over a spherical shell.
 
diff --git a/openmc/stats/univariate.py b/openmc/stats/univariate.py
index 4069c5a9e..2d93b1f1b 100644
--- a/openmc/stats/univariate.py
+++ b/openmc/stats/univariate.py
@@ -1,9 +1,8 @@
 from __future__ import annotations
 import math
-import typing
 from abc import ABC, abstractmethod
 from collections import defaultdict
-from collections.abc import Iterable
+from collections.abc import Iterable, Sequence
 from copy import deepcopy
 from numbers import Real
 from warnings import warn
@@ -68,7 +67,7 @@ class Univariate(EqualityMixin, ABC):
             return Mixture.from_xml_element(elem)
 
     @abstractmethod
-    def sample(n_samples: int = 1, seed: typing.Optional[int] = None):
+    def sample(n_samples: int = 1, seed: int | None = None):
         """Sample the univariate distribution
 
         Parameters
@@ -210,8 +209,8 @@ class Discrete(Univariate):
     @classmethod
     def merge(
         cls,
-        dists: typing.Sequence[Discrete],
-        probs: typing.Sequence[int]
+        dists: Sequence[Discrete],
+        probs: Sequence[int]
     ):
         """Merge multiple discrete distributions into a single distribution
 
@@ -859,8 +858,8 @@ class Tabular(Univariate):
 
     def __init__(
             self,
-            x: typing.Sequence[float],
-            p: typing.Sequence[float],
+            x: Sequence[float],
+            p: Sequence[float],
             interpolation: str = 'linear-linear',
             ignore_negative: bool = False
         ):
@@ -958,7 +957,7 @@ class Tabular(Univariate):
         """Normalize the probabilities stored on the distribution"""
         self._p /= self.cdf().max()
 
-    def sample(self, n_samples: int = 1, seed: typing.Optional[int] = None):
+    def sample(self, n_samples: int = 1, seed: int | None = None):
         rng = np.random.RandomState(seed)
         xi = rng.random(n_samples)
 
@@ -1100,7 +1099,7 @@ class Legendre(Univariate):
 
     """
 
-    def __init__(self, coefficients: typing.Sequence[float]):
+    def __init__(self, coefficients: Sequence[float]):
         self.coefficients = coefficients
         self._legendre_poly = None
 
@@ -1156,8 +1155,8 @@ class Mixture(Univariate):
 
     def __init__(
         self,
-        probability: typing.Sequence[float],
-        distribution: typing.Sequence[Univariate]
+        probability: Sequence[float],
+        distribution: Sequence[Univariate]
     ):
         self.probability = probability
         self.distribution = distribution
@@ -1319,8 +1318,8 @@ class Mixture(Univariate):
 
 
 def combine_distributions(
-    dists: typing.Sequence[Univariate],
-    probs: typing.Sequence[float]
+    dists: Sequence[Univariate],
+    probs: Sequence[float]
 ):
     """Combine distributions with specified probabilities
 
diff --git a/openmc/utility_funcs.py b/openmc/utility_funcs.py
index 4eb307c93..3dff45380 100644
--- a/openmc/utility_funcs.py
+++ b/openmc/utility_funcs.py
@@ -2,12 +2,11 @@ from contextlib import contextmanager
 import os
 from pathlib import Path
 from tempfile import TemporaryDirectory
-from typing import Optional
 
 from .checkvalue import PathLike
 
 @contextmanager
-def change_directory(working_dir: Optional[PathLike] = None, *, tmpdir: bool = False):
+def change_directory(working_dir: PathLike | None = None, *, tmpdir: bool = False):
     """Context manager for executing in a provided working directory
 
     Parameters
diff --git a/openmc/weight_windows.py b/openmc/weight_windows.py
index 96f1db892..a10fd2a65 100644
--- a/openmc/weight_windows.py
+++ b/openmc/weight_windows.py
@@ -1,6 +1,6 @@
 from __future__ import annotations
 from numbers import Real, Integral
-from typing import Iterable, List, Optional, Dict, Sequence
+from collections.abc import Iterable, Sequence
 import warnings
 
 import lxml.etree as ET
@@ -110,15 +110,15 @@ class WeightWindows(IDManagerMixin):
         self,
         mesh: MeshBase,
         lower_ww_bounds: Iterable[float],
-        upper_ww_bounds: Optional[Iterable[float]] = None,
-        upper_bound_ratio: Optional[float] = None,
-        energy_bounds: Optional[Iterable[Real]] = None,
+        upper_ww_bounds: Iterable[float] | None = None,
+        upper_bound_ratio: float | None = None,
+        energy_bounds: Iterable[Real] | None = None,
         particle_type: str = 'neutron',
         survival_ratio: float = 3,
-        max_lower_bound_ratio: Optional[float] = None,
+        max_lower_bound_ratio: float | None = None,
         max_split: int = 10,
         weight_cutoff: float = 1.e-38,
-        id: Optional[int] = None
+        id: int | None = None
     ):
         self.mesh = mesh
         self.id = id
@@ -353,7 +353,7 @@ class WeightWindows(IDManagerMixin):
         return element
 
     @classmethod
-    def from_xml_element(cls, elem: ET.Element, meshes: Dict[int, MeshBase]) -> WeightWindows:
+    def from_xml_element(cls, elem: ET.Element, meshes: dict[int, MeshBase]) -> WeightWindows:
         """Generate weight window settings from an XML element
 
         Parameters
@@ -407,7 +407,7 @@ class WeightWindows(IDManagerMixin):
         )
 
     @classmethod
-    def from_hdf5(cls, group: h5py.Group, meshes: Dict[int, MeshBase]) -> WeightWindows:
+    def from_hdf5(cls, group: h5py.Group, meshes: dict[int, MeshBase]) -> WeightWindows:
         """Create weight windows from HDF5 group
 
         Parameters
@@ -457,7 +457,7 @@ class WeightWindows(IDManagerMixin):
         )
 
 
-def wwinp_to_wws(path: PathLike) -> List[WeightWindows]:
+def wwinp_to_wws(path: PathLike) -> list[WeightWindows]:
     """Create WeightWindows instances from a wwinp file
 
     .. versionadded:: 0.13.1
@@ -698,7 +698,7 @@ class WeightWindowGenerator:
     def __init__(
         self,
         mesh: openmc.MeshBase,
-        energy_bounds: Optional[Sequence[float]] = None,
+        energy_bounds: Sequence[float] | None = None,
         particle_type: str = 'neutron',
         method: str = 'magic',
         max_realizations: int = 1,

From e5cc925db3ce5685cfd5afeb3822050ff8720824 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Wed, 24 Jul 2024 03:42:03 +0100
Subject: [PATCH 2134/2654] removed unused which function in CI scripts (#3095)

---
 tools/ci/gha-install.py | 16 ----------------
 1 file changed, 16 deletions(-)

diff --git a/tools/ci/gha-install.py b/tools/ci/gha-install.py
index f4b2fbb31..f046e8634 100644
--- a/tools/ci/gha-install.py
+++ b/tools/ci/gha-install.py
@@ -2,22 +2,6 @@ import os
 import shutil
 import subprocess
 
-def which(program):
-    def is_exe(fpath):
-        return os.path.isfile(fpath) and os.access(fpath, os.X_OK)
-
-    fpath, fname = os.path.split(program)
-    if fpath:
-        if is_exe(program):
-            return program
-    else:
-        for path in os.environ["PATH"].split(os.pathsep):
-            path = path.strip('"')
-            exe_file = os.path.join(path, program)
-            if is_exe(exe_file):
-                return exe_file
-    return None
-
 
 def install(omp=False, mpi=False, phdf5=False, dagmc=False, libmesh=False, ncrystal=False):
     # Create build directory and change to it

From 0ad003307a67e5eb6c161fed2f3c6b571649de79 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Wed, 24 Jul 2024 13:27:39 +0100
Subject: [PATCH 2135/2654] packages used for testing moved to tests section of
 pyprojects.tom (#3094)

---
 pyproject.toml          | 1 +
 tools/ci/gha-install.sh | 8 +-------
 2 files changed, 2 insertions(+), 7 deletions(-)

diff --git a/pyproject.toml b/pyproject.toml
index d1b2c335c..2b2764cea 100644
--- a/pyproject.toml
+++ b/pyproject.toml
@@ -47,6 +47,7 @@ docs = [
     "sphinx-rtd-theme==1.0.0"
 ]
 test = ["packaging", "pytest", "pytest-cov", "colorama", "openpyxl"]
+ci = ["cpp-coveralls", "coveralls"]
 vtk = ["vtk"]
 
 [project.urls]
diff --git a/tools/ci/gha-install.sh b/tools/ci/gha-install.sh
index 2cef974d3..87952fda9 100755
--- a/tools/ci/gha-install.sh
+++ b/tools/ci/gha-install.sh
@@ -48,10 +48,4 @@ fi
 python tools/ci/gha-install.py
 
 # Install Python API in editable mode
-pip install -e .[test,vtk]
-
-# For coverage testing of the C++ source files
-pip install cpp-coveralls
-
-# For coverage testing of the Python source files
-pip install coveralls
+pip install -e .[test,vtk,ci]

From 467b8e99abc62d5361f628ea37e1bcd4afcf3245 Mon Sep 17 00:00:00 2001
From: John Vincent Cauilan <64677361+johvincau@users.noreply.github.com>
Date: Tue, 30 Jul 2024 07:27:35 -0500
Subject: [PATCH 2136/2654] Fix ParticleFilter to work with set inputs (#3092)

---
 openmc/filter.py | 10 +++++-----
 1 file changed, 5 insertions(+), 5 deletions(-)

diff --git a/openmc/filter.py b/openmc/filter.py
index e005140ee..0f884cfcd 100644
--- a/openmc/filter.py
+++ b/openmc/filter.py
@@ -1,6 +1,6 @@
 from __future__ import annotations
 from abc import ABCMeta
-from collections.abc import Iterable
+from collections.abc import Iterable, Sequence
 import hashlib
 from itertools import product
 from numbers import Real, Integral
@@ -736,7 +736,7 @@ class ParticleFilter(Filter):
 
     Parameters
     ----------
-    bins : str, or iterable of str
+    bins : str, or sequence of str
         The particles to tally represented as strings ('neutron', 'photon',
         'electron', 'positron').
     filter_id : int
@@ -744,7 +744,7 @@ class ParticleFilter(Filter):
 
     Attributes
     ----------
-    bins : iterable of str
+    bins : sequence of str
         The particles to tally
     id : int
         Unique identifier for the filter
@@ -764,8 +764,8 @@ class ParticleFilter(Filter):
 
     @Filter.bins.setter
     def bins(self, bins):
-        bins = np.atleast_1d(bins)
-        cv.check_iterable_type('filter bins', bins, str)
+        cv.check_type('bins', bins, Sequence, str)
+        bins = np.atleast_1d(bins)    
         for edge in bins:
             cv.check_value('filter bin', edge, _PARTICLES)
         self._bins = bins

From 9d9b2daceba82354f4720315ee2491b11d1d6e23 Mon Sep 17 00:00:00 2001
From: "Juan M. Valderrama"
 <119371594+valderrama-juan@users.noreply.github.com>
Date: Tue, 30 Jul 2024 14:47:00 -0500
Subject: [PATCH 2137/2654] Improve description of probabilities for
 openmc.stats.Tabular class (#3099)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/stats/univariate.py | 12 +++++++++++-
 1 file changed, 11 insertions(+), 1 deletion(-)

diff --git a/openmc/stats/univariate.py b/openmc/stats/univariate.py
index 2d93b1f1b..a47f4f320 100644
--- a/openmc/stats/univariate.py
+++ b/openmc/stats/univariate.py
@@ -837,7 +837,8 @@ class Tabular(Univariate):
         Tabulated values of the random variable
     p : Iterable of float
         Tabulated probabilities. For histogram interpolation, if the length of
-        `p` is the same as `x`, the last value is ignored.
+        `p` is the same as `x`, the last value is ignored. Probabilities `p` are
+        given per unit of `x`.
     interpolation : {'histogram', 'linear-linear', 'linear-log', 'log-linear', 'log-log'}, optional
         Indicates how the density function is interpolated between tabulated
         points. Defaults to 'linear-linear'.
@@ -854,6 +855,15 @@ class Tabular(Univariate):
         Indicates how the density function is interpolated between tabulated
         points. Defaults to 'linear-linear'.
 
+    Notes
+    -----
+    The probabilities `p` are interpreted per unit of the corresponding
+    independent variable `x`. This follows the definition of a probability
+    density function (PDF) in probability theory, where the PDF represents the
+    relative likelihood of the random variable taking on a particular value per
+    unit of the variable. For example, if `x` represents energy in eV, then `p`
+    should represent probabilities per eV.
+
     """
 
     def __init__(

From 346f751deb61f7f3b373855d1f4b2e7a27ae8228 Mon Sep 17 00:00:00 2001
From: John Vincent Cauilan <64677361+johvincau@users.noreply.github.com>
Date: Tue, 13 Aug 2024 16:51:30 -0500
Subject: [PATCH 2138/2654] Adjust decay data reader to better handle
 non-normalized branching ratios (#3080)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/deplete/chain.py | 27 +++++++++++++++++----------
 1 file changed, 17 insertions(+), 10 deletions(-)

diff --git a/openmc/deplete/chain.py b/openmc/deplete/chain.py
index 1d3834980..2e81250dc 100644
--- a/openmc/deplete/chain.py
+++ b/openmc/deplete/chain.py
@@ -386,24 +386,31 @@ class Chain:
             if not data.nuclide['stable'] and data.half_life.nominal_value != 0.0:
                 nuclide.half_life = data.half_life.nominal_value
                 nuclide.decay_energy = data.decay_energy.nominal_value
-                sum_br = 0.0
-                for i, mode in enumerate(data.modes):
+                branch_ratios = []
+                branch_ids = []
+                for mode in data.modes:
                     type_ = ','.join(mode.modes)
                     if mode.daughter in decay_data:
                         target = mode.daughter
                     else:
                         print('missing {} {} {}'.format(
-                            parent, ','.join(mode.modes), mode.daughter))
+                            parent, type_, mode.daughter))
                         target = replace_missing(mode.daughter, decay_data)
-
-                    # Write branching ratio, taking care to ensure sum is unity
                     br = mode.branching_ratio.nominal_value
-                    sum_br += br
-                    if i == len(data.modes) - 1 and sum_br != 1.0:
-                        br = 1.0 - sum(m.branching_ratio.nominal_value
-                                       for m in data.modes[:-1])
+                    branch_ratios.append(br)
+                    branch_ids.append((type_, target))
 
-                    # Append decay mode
+                if not math.isclose(sum(branch_ratios), 1.0):
+                    max_br = max(branch_ratios)
+                    max_index = branch_ratios.index(max_br)
+
+                    # Adjust maximum branching ratio so they sum to unity
+                    new_br = max_br - sum(branch_ratios) + 1.0
+                    branch_ratios[max_index] = new_br
+                    assert math.isclose(sum(branch_ratios), 1.0)
+
+                # Append decay modes
+                for br, (type_, target) in zip(branch_ratios, branch_ids):
                     nuclide.add_decay_mode(type_, target, br)
 
                 nuclide.sources = data.sources

From 3ef54ec349ac7a847df8c0b2de02c2bd2cf3155f Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Wed, 14 Aug 2024 05:43:44 +0100
Subject: [PATCH 2139/2654] Replacing endf c functions with package (#3101)

---
 openmc/data/_endf.pyx |  8 ------
 openmc/data/endf.c    | 57 -------------------------------------------
 openmc/data/endf.py   | 10 +-------
 pyproject.toml        |  1 +
 setup.py              |  2 +-
 5 files changed, 3 insertions(+), 75 deletions(-)
 delete mode 100644 openmc/data/_endf.pyx
 delete mode 100644 openmc/data/endf.c

diff --git a/openmc/data/_endf.pyx b/openmc/data/_endf.pyx
deleted file mode 100644
index 991ee015b..000000000
--- a/openmc/data/_endf.pyx
+++ /dev/null
@@ -1,8 +0,0 @@
-# cython: c_string_type=str, c_string_encoding=ascii
-
-cdef extern from "endf.c":
-    double cfloat_endf(const char* buffer, int n)
-
-def float_endf(s):
-    cdef const char* c_string = s
-    return cfloat_endf(c_string, len(s))
diff --git a/openmc/data/endf.c b/openmc/data/endf.c
deleted file mode 100644
index dd5eee541..000000000
--- a/openmc/data/endf.c
+++ /dev/null
@@ -1,57 +0,0 @@
-#include <stdlib.h>
-
-//! Convert string representation of a floating point number into a double
-//
-//! This function handles converting floating point numbers from an ENDF 11
-//! character field into a double, covering all the corner cases. Floating point
-//! numbers are allowed to contain whitespace (which is ignored). Also, in
-//! exponential notation, it allows the 'e' to be omitted. A field containing
-//! only whitespace is to be interpreted as a zero.
-//
-//! \param buffer character input from an ENDF file
-//! \param n Length of character input
-//! \return Floating point number
-
-double cfloat_endf(const char* buffer, int n)
-{
-  char arr[13]; // 11 characters plus e and a null terminator
-  int j = 0; // current position in arr
-  int found_significand = 0;
-  int found_exponent = 0;
-
-  // limit n to 11 characters
-  n = n > 11 ? 11 : n;
-
-  int i;
-  for (i = 0; i < n; ++i) {
-    char c = buffer[i];
-
-    // Skip whitespace characters
-    if (c == ' ') continue;
-
-    if (found_significand) {
-      if (!found_exponent) {
-        if (c == '+' || c == '-') {
-          // In the case that we encounter +/- and we haven't yet encountered
-          // e/E, we manually add it
-          arr[j++] = 'e';
-          found_exponent = 1;
-
-        } else if (c == 'e' || c == 'E' || c == 'd' || c == 'D') {
-          arr[j++] = 'e';
-          found_exponent = 1;
-          continue;
-        }
-      }
-    } else if (c == '.' || (c >= '0' && c <= '9')) {
-      found_significand = 1;
-    }
-
-    // Copy character
-    arr[j++] = c;
-  }
-
-  // Done copying. Add null terminator and convert to double
-  arr[j] = '\0';
-  return atof(arr);
-}
diff --git a/openmc/data/endf.py b/openmc/data/endf.py
index 73299723a..63cd092eb 100644
--- a/openmc/data/endf.py
+++ b/openmc/data/endf.py
@@ -14,11 +14,7 @@ import numpy as np
 
 from .data import gnds_name
 from .function import Tabulated1D
-try:
-    from ._endf import float_endf
-    _CYTHON = True
-except ImportError:
-    _CYTHON = False
+from endf.records import float_endf
 
 
 _LIBRARY = {0: 'ENDF/B', 1: 'ENDF/A', 2: 'JEFF', 3: 'EFF',
@@ -91,10 +87,6 @@ def py_float_endf(s):
     return float(ENDF_FLOAT_RE.sub(r'\1e\2\3', s))
 
 
-if not _CYTHON:
-    float_endf = py_float_endf
-
-
 def int_endf(s):
     """Convert string of integer number in ENDF to int.
 
diff --git a/pyproject.toml b/pyproject.toml
index 2b2764cea..98b1d152f 100644
--- a/pyproject.toml
+++ b/pyproject.toml
@@ -34,6 +34,7 @@ dependencies = [
     "lxml",
     "uncertainties",
     "setuptools",
+    "endf",
 ]
 
 [project.optional-dependencies]
diff --git a/setup.py b/setup.py
index 4e24f48a1..88a45a360 100755
--- a/setup.py
+++ b/setup.py
@@ -6,7 +6,7 @@ from Cython.Build import cythonize
 
 
 kwargs = {
-    # Cython is used to add resonance reconstruction and fast float_endf
+    # Cython is used to add resonance reconstruction
     'ext_modules': cythonize('openmc/data/*.pyx'),
     'include_dirs': [np.get_include()]
 }

From ae245e0fb7b4dc20df389d42a1b31f956e05f024 Mon Sep 17 00:00:00 2001
From: pitkajuh <github_pj@protonmail.com>
Date: Wed, 14 Aug 2024 06:52:15 +0000
Subject: [PATCH 2140/2654] Ensure RegularMesh repr shows value for width of
 the mesh (#3100)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/mesh.py | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 85af6a009..a706b8fa8 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -787,8 +787,8 @@ class RegularMesh(StructuredMesh):
         string += '{0: <16}{1}{2}\n'.format('\tDimensions', '=\t', self.n_dimension)
         string += '{0: <16}{1}{2}\n'.format('\tVoxels', '=\t', self._dimension)
         string += '{0: <16}{1}{2}\n'.format('\tLower left', '=\t', self._lower_left)
-        string += '{0: <16}{1}{2}\n'.format('\tUpper Right', '=\t', self._upper_right)
-        string += '{0: <16}{1}{2}\n'.format('\tWidth', '=\t', self._width)
+        string += '{0: <16}{1}{2}\n'.format('\tUpper Right', '=\t', self.upper_right)
+        string += '{0: <16}{1}{2}\n'.format('\tWidth', '=\t', self.width)
         return string
 
     @classmethod

From 9483cce0bc334467748cd842cb122fefc6f3305d Mon Sep 17 00:00:00 2001
From: Jon Shimwell <jon@proximafusion.com>
Date: Wed, 14 Aug 2024 15:34:17 +0100
Subject: [PATCH 2141/2654] Remove resonance reconstruction and Cython
 dependency (#3111)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 Dockerfile                            |   2 +-
 MANIFEST.in                           |   2 -
 docs/source/usersguide/install.rst    |   4 -
 openmc/data/function.py               |  22 --
 openmc/data/neutron.py                |  88 +----
 openmc/data/njoy.py                   |  15 +-
 openmc/data/reconstruct.pyx           | 522 --------------------------
 pyproject.toml                        |   3 +-
 setup.py                              |  14 -
 tests/unit_tests/test_data_neutron.py |  27 +-
 tools/ci/gha-install.sh               |   3 +-
 11 files changed, 33 insertions(+), 669 deletions(-)
 delete mode 100644 openmc/data/reconstruct.pyx
 delete mode 100755 setup.py

diff --git a/Dockerfile b/Dockerfile
index 35b9cf578..4a94e3c0b 100644
--- a/Dockerfile
+++ b/Dockerfile
@@ -95,7 +95,7 @@ RUN cd $HOME \
 RUN if [ "$build_dagmc" = "on" ]; then \
         # Install addition packages required for DAGMC
         apt-get -y install libeigen3-dev libnetcdf-dev libtbb-dev libglfw3-dev \
-        && pip install --upgrade numpy "cython<3.0" \
+        && pip install --upgrade numpy \
         # Clone and install EMBREE
         && mkdir -p $HOME/EMBREE && cd $HOME/EMBREE \
         && git clone --single-branch -b ${EMBREE_TAG} --depth 1 ${EMBREE_REPO} \
diff --git a/MANIFEST.in b/MANIFEST.in
index afd016cb0..b73218af0 100644
--- a/MANIFEST.in
+++ b/MANIFEST.in
@@ -26,8 +26,6 @@ recursive-include include *.h
 recursive-include include *.h.in
 recursive-include include *.hh
 recursive-include man *.1
-recursive-include openmc *.pyx
-recursive-include openmc *.c
 recursive-include src *.cc
 recursive-include src *.cpp
 recursive-include src *.rnc
diff --git a/docs/source/usersguide/install.rst b/docs/source/usersguide/install.rst
index 130e96c0a..1c0b7fa5b 100644
--- a/docs/source/usersguide/install.rst
+++ b/docs/source/usersguide/install.rst
@@ -584,10 +584,6 @@ distributions.
       parallel runs. This package is needed if you plan on running depletion
       simulations in parallel using MPI.
 
-   `Cython <https://cython.org/>`_
-      Cython is used for resonance reconstruction for ENDF data converted to
-      :class:`openmc.data.IncidentNeutron`.
-
    `vtk <https://vtk.org/>`_
       The Python VTK bindings are needed to convert voxel and track files to VTK
       format.
diff --git a/openmc/data/function.py b/openmc/data/function.py
index 23fd5e9d4..c5914f513 100644
--- a/openmc/data/function.py
+++ b/openmc/data/function.py
@@ -708,28 +708,6 @@ class ResonancesWithBackground(EqualityMixin):
         self.background = background
         self.mt = mt
 
-    def __call__(self, x):
-        # Get background cross section
-        xs = self.background(x)
-
-        for r in self.resonances:
-            if not isinstance(r, openmc.data.resonance._RESOLVED):
-                continue
-
-            if isinstance(x, Iterable):
-                # Determine which energies are within resolved resonance range
-                within = (r.energy_min <= x) & (x <= r.energy_max)
-
-                # Get resonance cross sections and add to background
-                resonant_xs = r.reconstruct(x[within])
-                xs[within] += resonant_xs[self.mt]
-            else:
-                if r.energy_min <= x <= r.energy_max:
-                    resonant_xs = r.reconstruct(x)
-                    xs += resonant_xs[self.mt]
-
-        return xs
-
     @property
     def background(self):
         return self._background
diff --git a/openmc/data/neutron.py b/openmc/data/neutron.py
index 894be1871..95a3424ea 100644
--- a/openmc/data/neutron.py
+++ b/openmc/data/neutron.py
@@ -16,8 +16,7 @@ from .endf import (
     Evaluation, SUM_RULES, get_head_record, get_tab1_record, get_evaluations)
 from .fission_energy import FissionEnergyRelease
 from .function import Tabulated1D, Sum, ResonancesWithBackground
-from .grid import linearize, thin
-from .njoy import make_ace
+from .njoy import make_ace, make_pendf
 from .product import Product
 from .reaction import Reaction, _get_photon_products_ace, FISSION_MTS
 from . import resonance as res
@@ -286,7 +285,7 @@ class IncidentNeutron(EqualityMixin):
         if strT in data.urr:
             self.urr[strT] = data.urr[strT]
 
-    def add_elastic_0K_from_endf(self, filename, overwrite=False):
+    def add_elastic_0K_from_endf(self, filename, overwrite=False, **kwargs):
         """Append 0K elastic scattering cross section from an ENDF file.
 
         Parameters
@@ -297,6 +296,8 @@ class IncidentNeutron(EqualityMixin):
             If existing 0 K data is present, this flag can be used to indicate
             that it should be overwritten. Otherwise, an exception will be
             thrown.
+        **kwargs
+            Keyword arguments passed to :func:`openmc.data.njoy.make_pendf`
 
         Raises
         ------
@@ -309,75 +310,22 @@ class IncidentNeutron(EqualityMixin):
         if '0K' in self.energy and not overwrite:
             raise ValueError('0 K data already exists for this nuclide.')
 
-        data = type(self).from_endf(filename)
-        if data.resonances is not None:
-            x = []
-            y = []
-            for rr in data.resonances:
-                if isinstance(rr, res.RMatrixLimited):
-                    raise TypeError('R-Matrix Limited not supported.')
-                elif isinstance(rr, res.Unresolved):
-                    continue
+        with tempfile.TemporaryDirectory() as tmpdir:
+            # Set arguments for make_pendf
+            pendf_path = os.path.join(tmpdir, 'pendf')
+            kwargs.setdefault('output_dir', tmpdir)
+            kwargs.setdefault('pendf', pendf_path)
 
-                # Get energies/widths for resonances
-                e_peak = rr.parameters['energy'].values
-                if isinstance(rr, res.MultiLevelBreitWigner):
-                    gamma = rr.parameters['totalWidth'].values
-                elif isinstance(rr, res.ReichMoore):
-                    df = rr.parameters
-                    gamma = (df['neutronWidth'] +
-                             df['captureWidth'] +
-                             abs(df['fissionWidthA']) +
-                             abs(df['fissionWidthB'])).values
+            # Run NJOY to create a pointwise ENDF file
+            make_pendf(filename, **kwargs)
 
-                # Determine peak energies and widths
-                e_min, e_max = rr.energy_min, rr.energy_max
-                in_range = (e_peak > e_min) & (e_peak < e_max)
-                e_peak = e_peak[in_range]
-                gamma = gamma[in_range]
-
-                # Get midpoints between resonances (use min/max energy of
-                # resolved region as absolute lower/upper bound)
-                e_mid = np.concatenate(
-                    ([e_min], (e_peak[1:] + e_peak[:-1])/2, [e_max]))
-
-                # Add grid around each resonance that includes the peak +/- the
-                # width times each value in _RESONANCE_ENERGY_GRID. Values are
-                # constrained so that points around one resonance don't overlap
-                # with points around another. This algorithm is from Fudge
-                # (https://doi.org/10.1063/1.1945057).
-                energies = []
-                for e, g, e_lower, e_upper in zip(e_peak, gamma, e_mid[:-1],
-                                                  e_mid[1:]):
-                    e_left = e - g*_RESONANCE_ENERGY_GRID
-                    energies.append(e_left[e_left > e_lower][::-1])
-                    e_right = e + g*_RESONANCE_ENERGY_GRID[1:]
-                    energies.append(e_right[e_right < e_upper])
-
-                # Concatenate all points
-                energies = np.concatenate(energies)
-
-                # Create 1000 equal log-spaced energies over RRR, combine with
-                # resonance peaks and half-height energies
-                e_log = np.logspace(log10(e_min), log10(e_max), 1000)
-                energies = np.union1d(e_log, energies)
-
-                # Linearize and thin cross section
-                xi, yi = linearize(energies, data[2].xs['0K'])
-                xi, yi = thin(xi, yi)
-
-                # If there are multiple resolved resonance ranges (e.g. Pu239 in
-                # ENDF/B-VII.1), combine them
-                x = np.concatenate((x, xi))
-                y = np.concatenate((y, yi))
-        else:
-            energies = data[2].xs['0K'].x
-            x, y = linearize(energies, data[2].xs['0K'])
-            x, y = thin(x, y)
-
-        # Set 0K energy grid and elastic scattering cross section
-        self.energy['0K'] = x
-        self[2].xs['0K'] = Tabulated1D(x, y)
+            # Add 0K elastic scattering cross section
+            pendf = Evaluation(pendf_path)
+            file_obj = StringIO(pendf.section[3, 2])
+            get_head_record(file_obj)
+            params, xs = get_tab1_record(file_obj)
+            self.energy['0K'] = xs.x
+            self[2].xs['0K'] = xs
 
     def get_reaction_components(self, mt):
         """Determine what reactions make up redundant reaction.
diff --git a/openmc/data/njoy.py b/openmc/data/njoy.py
index ac1b5e345..1bf44891e 100644
--- a/openmc/data/njoy.py
+++ b/openmc/data/njoy.py
@@ -221,7 +221,7 @@ def run(commands, tapein, tapeout, input_filename=None, stdout=False,
                 shutil.move(tmpfilename, str(filename))
 
 
-def make_pendf(filename, pendf='pendf', error=0.001, stdout=False):
+def make_pendf(filename, pendf='pendf', **kwargs):
     """Generate pointwise ENDF file from an ENDF file
 
     Parameters
@@ -230,10 +230,9 @@ def make_pendf(filename, pendf='pendf', error=0.001, stdout=False):
         Path to ENDF file
     pendf : str, optional
         Path of pointwise ENDF file to write
-    error : float, optional
-        Fractional error tolerance for NJOY processing
-    stdout : bool
-        Whether to display NJOY standard output
+    **kwargs
+        Keyword arguments passed to :func:`openmc.data.njoy.make_ace`. All NJOY
+        module arguments other than pendf default to False.
 
     Raises
     ------
@@ -241,9 +240,9 @@ def make_pendf(filename, pendf='pendf', error=0.001, stdout=False):
         If the NJOY process returns with a non-zero status
 
     """
-
-    make_ace(filename, pendf=pendf, error=error, broadr=False,
-             heatr=False, purr=False, acer=False, stdout=stdout)
+    for key in ('broadr', 'heatr', 'gaspr', 'purr', 'acer'):
+        kwargs.setdefault(key, False)
+    make_ace(filename, pendf=pendf, **kwargs)
 
 
 def make_ace(filename, temperatures=None, acer=True, xsdir=None,
diff --git a/openmc/data/reconstruct.pyx b/openmc/data/reconstruct.pyx
deleted file mode 100644
index cd0bbc38b..000000000
--- a/openmc/data/reconstruct.pyx
+++ /dev/null
@@ -1,522 +0,0 @@
-from libc.stdlib cimport malloc, calloc, free
-from libc.math cimport cos, sin, sqrt, atan, M_PI
-
-cimport numpy as np
-import numpy as np
-from numpy.linalg import inv
-cimport cython
-
-
-cdef extern from "complex.h":
-    double cabs(double complex)
-    double complex conj(double complex)
-    double creal(complex double)
-    double cimag(complex double)
-    double complex cexp(double complex)
-
-# Physical constants are from CODATA 2014
-cdef double NEUTRON_MASS_ENERGY = 939.5654133e6  # eV/c^2
-cdef double HBAR_C = 197.3269788e5  # eV-b^0.5
-
-
-@cython.cdivision(True)
-def wave_number(double A, double E):
-    r"""Neutron wave number in center-of-mass system.
-
-    ENDF-102 defines the neutron wave number in the center-of-mass system in
-    Equation D.10 as
-
-    .. math::
-        k = \frac{2m_n}{\hbar} \frac{A}{A + 1} \sqrt{|E|}
-
-    Parameters
-    ----------
-    A : double
-        Ratio of target mass to neutron mass
-    E : double
-        Energy in eV
-
-    Returns
-    -------
-    double
-        Neutron wave number in b^-0.5
-
-    """
-    return A/(A + 1)*sqrt(2*NEUTRON_MASS_ENERGY*abs(E))/HBAR_C
-
-@cython.cdivision(True)
-cdef double _wave_number(double A, double E):
-    return A/(A + 1)*sqrt(2*NEUTRON_MASS_ENERGY*abs(E))/HBAR_C
-
-
-@cython.cdivision(True)
-cdef double phaseshift(int l, double rho):
-    """Calculate hardsphere phase shift as given in ENDF-102, Equation D.13
-
-    Parameters
-    ----------
-    l : int
-        Angular momentum quantum number
-    rho : float
-        Product of the wave number and the channel radius
-
-    Returns
-    -------
-    double
-        Hardsphere phase shift
-
-    """
-    if l == 0:
-        return rho
-    elif l == 1:
-        return rho - atan(rho)
-    elif l == 2:
-        return rho - atan(3*rho/(3 - rho**2))
-    elif l == 3:
-        return rho - atan((15*rho - rho**3)/(15 - 6*rho**2))
-    elif l == 4:
-        return rho - atan((105*rho - 10*rho**3)/(105 - 45*rho**2 + rho**4))
-
-
-@cython.cdivision(True)
-def penetration_shift(int l, double rho):
-    r"""Calculate shift and penetration factors as given in ENDF-102, Equations D.11
-    and D.12.
-
-    Parameters
-    ----------
-    l : int
-        Angular momentum quantum number
-    rho : float
-        Product of the wave number and the channel radius
-
-    Returns
-    -------
-    double
-        Penetration factor for given :math:`l`
-    double
-        Shift factor for given :math:`l`
-
-    """
-    cdef double den
-
-    if l == 0:
-        return rho, 0.
-    elif l == 1:
-        den = 1 + rho**2
-        return rho**3/den, -1/den
-    elif l == 2:
-        den = 9 + 3*rho**2 + rho**4
-        return rho**5/den, -(18 + 3*rho**2)/den
-    elif l == 3:
-        den = 225 + 45*rho**2 + 6*rho**4 + rho**6
-        return rho**7/den, -(675 + 90*rho**2 + 6*rho**4)/den
-    elif l == 4:
-        den = 11025 + 1575*rho**2 + 135*rho**4 + 10*rho**6 + rho**8
-        return rho**9/den, -(44100 + 4725*rho**2 + 270*rho**4 + 10*rho**6)/den
-
-
-@cython.boundscheck(False)
-@cython.wraparound(False)
-@cython.cdivision(True)
-def reconstruct_mlbw(mlbw, double E):
-    """Evaluate cross section using MLBW data.
-
-    Parameters
-    ----------
-    mlbw : openmc.data.MultiLevelBreitWigner
-        Multi-level Breit-Wigner resonance parameters
-    E : double
-        Energy in eV at which to evaluate the cross section
-
-    Returns
-    -------
-    elastic : double
-        Elastic scattering cross section in barns
-    capture : double
-        Radiative capture cross section in barns
-    fission : double
-        Fission cross section in barns
-
-    """
-    cdef int i, nJ, ij, l, n_res, i_res
-    cdef double elastic, capture, fission
-    cdef double A, k, rho, rhohat, I
-    cdef double P, S, phi, cos2phi, sin2phi
-    cdef double Ex, Q, rhoc, rhochat, P_c, S_c
-    cdef double jmin, jmax, j, Dl
-    cdef double E_r, gt, gn, gg, gf, gx, P_r, S_r, P_rx
-    cdef double gnE, gtE, Eprime, x, f
-    cdef double *g
-    cdef double (*s)[2]
-    cdef double [:,:] params
-
-    I = mlbw.target_spin
-    A = mlbw.atomic_weight_ratio
-    k = _wave_number(A, E)
-
-    elastic = 0.
-    capture = 0.
-    fission = 0.
-
-    for i, l in enumerate(mlbw._l_values):
-        params = mlbw._parameter_matrix[l]
-
-        rho = k*mlbw.channel_radius[l](E)
-        rhohat = k*mlbw.scattering_radius[l](E)
-        P, S = penetration_shift(l, rho)
-        phi = phaseshift(l, rhohat)
-        cos2phi = cos(2*phi)
-        sin2phi = sin(2*phi)
-
-        # Determine shift and penetration at modified energy
-        if mlbw._competitive[i]:
-            Ex = E + mlbw.q_value[l]*(A + 1)/A
-            rhoc = mlbw.channel_radius[l](Ex)
-            rhochat = mlbw.scattering_radius[l](Ex)
-            P_c, S_c = penetration_shift(l, rhoc)
-            if Ex < 0:
-                P_c = 0
-
-        # Determine range of total angular momentum values based on equation
-        # 41 in LA-UR-12-27079
-        jmin = abs(abs(I - l) - 0.5)
-        jmax = I + l + 0.5
-        nJ = int(jmax - jmin + 1)
-
-        # Determine Dl factor using Equation 43 in LA-UR-12-27079
-        Dl = 2*l + 1
-        g = <double *> malloc(nJ*sizeof(double))
-        for ij in range(nJ):
-            j = jmin + ij
-            g[ij] = (2*j + 1)/(4*I + 2)
-            Dl -= g[ij]
-
-        s = <double (*)[2]> calloc(2*nJ, sizeof(double))
-        for i_res in range(params.shape[0]):
-            # Copy resonance parameters
-            E_r = params[i_res, 0]
-            j = params[i_res, 2]
-            ij = int(j - jmin)
-            gt = params[i_res, 3]
-            gn = params[i_res, 4]
-            gg = params[i_res, 5]
-            gf = params[i_res, 6]
-            gx = params[i_res, 7]
-            P_r = params[i_res, 8]
-            S_r = params[i_res, 9]
-            P_rx = params[i_res, 10]
-
-            # Calculate neutron and total width at energy E
-            gnE = P*gn/P_r  # ENDF-102, Equation D.7
-            gtE = gnE + gg + gf
-            if gx > 0:
-                gtE += gx*P_c/P_rx
-
-            Eprime = E_r + (S_r - S)/(2*P_r)*gn  # ENDF-102, Equation D.9
-            x = 2*(E - Eprime)/gtE    # LA-UR-12-27079, Equation 26
-            f = 2*gnE/(gtE*(1 + x*x)) # Common factor in Equation 40
-            s[ij][0] += f             # First sum in Equation 40
-            s[ij][1] += f*x           # Second sum in Equation 40
-            capture += f*g[ij]*gg/gtE
-            if gf > 0:
-                fission += f*g[ij]*gf/gtE
-
-        for ij in range(nJ):
-            # Add all but last term of LA-UR-12-27079, Equation 40
-            elastic += g[ij]*((1 - cos2phi - s[ij][0])**2 +
-                              (sin2phi + s[ij][1])**2)
-
-        # Add final term with Dl from Equation 40
-        elastic += 2*Dl*(1 - cos2phi)
-
-        # Free memory
-        free(g)
-        free(s)
-
-    capture *= 2*M_PI/(k*k)
-    fission *= 2*M_PI/(k*k)
-    elastic *= M_PI/(k*k)
-
-    return (elastic, capture, fission)
-
-
-@cython.boundscheck(False)
-@cython.wraparound(False)
-@cython.cdivision(True)
-def reconstruct_slbw(slbw, double E):
-    """Evaluate cross section using SLBW data.
-
-    Parameters
-    ----------
-    slbw : openmc.data.SingleLevelBreitWigner
-        Single-level Breit-Wigner resonance parameters
-    E : double
-        Energy in eV at which to evaluate the cross section
-
-    Returns
-    -------
-    elastic : double
-        Elastic scattering cross section in barns
-    capture : double
-        Radiative capture cross section in barns
-    fission : double
-        Fission cross section in barns
-
-    """
-    cdef int i, l, i_res
-    cdef double elastic, capture, fission
-    cdef double A, k, rho, rhohat, I
-    cdef double P, S, phi, cos2phi, sin2phi, sinphi2
-    cdef double Ex, rhoc, rhochat, P_c, S_c
-    cdef double E_r, J, gt, gn, gg, gf, gx, P_r, S_r, P_rx
-    cdef double gnE, gtE, Eprime, f
-    cdef double x, theta, psi, chi
-    cdef double [:,:] params
-
-    I = slbw.target_spin
-    A = slbw.atomic_weight_ratio
-    k = _wave_number(A, E)
-
-    elastic = 0.
-    capture = 0.
-    fission = 0.
-
-    for i, l in enumerate(slbw._l_values):
-        params = slbw._parameter_matrix[l]
-
-        rho = k*slbw.channel_radius[l](E)
-        rhohat = k*slbw.scattering_radius[l](E)
-        P, S = penetration_shift(l, rho)
-        phi = phaseshift(l, rhohat)
-        cos2phi = cos(2*phi)
-        sin2phi = sin(2*phi)
-        sinphi2 = sin(phi)**2
-
-        # Add potential scattering -- first term in ENDF-102, Equation D.2
-        elastic += 4*M_PI/(k*k)*(2*l + 1)*sinphi2
-
-        # Determine shift and penetration at modified energy
-        if slbw._competitive[i]:
-            Ex = E + slbw.q_value[l]*(A + 1)/A
-            rhoc = k*slbw.channel_radius[l](Ex)
-            rhochat = k*slbw.scattering_radius[l](Ex)
-            P_c, S_c = penetration_shift(l, rhoc)
-            if Ex < 0:
-                P_c = 0
-
-        for i_res in range(params.shape[0]):
-            # Copy resonance parameters
-            E_r = params[i_res, 0]
-            J = params[i_res, 2]
-            gt = params[i_res, 3]
-            gn = params[i_res, 4]
-            gg = params[i_res, 5]
-            gf = params[i_res, 6]
-            gx = params[i_res, 7]
-            P_r = params[i_res, 8]
-            S_r = params[i_res, 9]
-            P_rx = params[i_res, 10]
-
-            # Calculate neutron and total width at energy E
-            gnE = P*gn/P_r  # Equation D.7
-            gtE = gnE + gg + gf
-            if gx > 0:
-                gtE += gx*P_c/P_rx
-
-            Eprime = E_r + (S_r - S)/(2*P_r)*gn  # Equation D.9
-            gJ = (2*J + 1)/(4*I + 2)  # Mentioned in section D.1.1.4
-
-            # Calculate common factor for elastic, capture, and fission
-            # cross sections
-            f = M_PI/(k*k)*gJ*gnE/((E - Eprime)**2 + gtE**2/4)
-
-            # Add contribution to elastic per Equation D.2
-            elastic += f*(gnE*cos2phi - 2*(gg + gf)*sinphi2
-                          + 2*(E - Eprime)*sin2phi)
-
-            # Add contribution to capture per Equation D.3
-            capture += f*gg
-
-            # Add contribution to fission per Equation D.6
-            if gf > 0:
-                fission += f*gf
-
-    return (elastic, capture, fission)
-
-
-@cython.boundscheck(False)
-@cython.wraparound(False)
-@cython.cdivision(True)
-def reconstruct_rm(rm, double E):
-    """Evaluate cross section using Reich-Moore data.
-
-    Parameters
-    ----------
-    rm : openmc.data.ReichMoore
-        Reich-Moore resonance parameters
-    E : double
-        Energy in eV at which to evaluate the cross section
-
-    Returns
-    -------
-    elastic : double
-        Elastic scattering cross section in barns
-    capture : double
-        Radiative capture cross section in barns
-    fission : double
-        Fission cross section in barns
-
-    """
-    cdef int i, l, m, n, i_res
-    cdef int i_s, num_s, i_J, num_J
-    cdef double elastic, capture, fission, total
-    cdef double A, k, rho, rhohat, I
-    cdef double P, S, phi
-    cdef double smin, smax, s, Jmin, Jmax, J, j
-    cdef double E_r, gn, gg, gfa, gfb, P_r
-    cdef double E_diff, abs_value, gJ
-    cdef double Kr, Ki, x
-    cdef double complex Ubar, U_, factor
-    cdef bint hasfission
-    cdef np.ndarray[double, ndim=2] one
-    cdef np.ndarray[double complex, ndim=2] K, Imat, U
-    cdef double [:,:] params
-
-    # Get nuclear spin
-    I = rm.target_spin
-
-    elastic = 0.
-    fission = 0.
-    total = 0.
-    A = rm.atomic_weight_ratio
-    k = _wave_number(A, E)
-    one = np.eye(3)
-    K = np.zeros((3,3), dtype=complex)
-
-    for i, l in enumerate(rm._l_values):
-        # Check for l-dependent scattering radius
-        rho = k*rm.channel_radius[l](E)
-        rhohat = k*rm.scattering_radius[l](E)
-
-        # Calculate shift and penetrability
-        P, S = penetration_shift(l, rho)
-
-        # Calculate phase shift
-        phi = phaseshift(l, rhohat)
-
-        # Calculate common factor on collision matrix terms (term outside curly
-        # braces in ENDF-102, Eq. D.27)
-        Ubar = cexp(-2j*phi)
-
-        # The channel spin is the vector sum of the target spin, I, and the
-        # neutron spin, 1/2, so can take on values of |I - 1/2| < s < I + 1/2
-        smin = abs(I - 0.5)
-        smax = I + 0.5
-        num_s = int(smax - smin + 1)
-
-        for i_s in range(num_s):
-            s = i_s + smin
-
-            # Total angular momentum is the vector sum of l and s and can assume
-            # values between |l - s| < J < l + s
-            Jmin = abs(l - s)
-            Jmax = l + s
-            num_J = int(Jmax - Jmin + 1)
-
-            for i_J in range(num_J):
-                J = i_J + Jmin
-
-                # Initialize K matrix
-                for m in range(3):
-                    for n in range(3):
-                        K[m,n] = 0.0
-
-                hasfission = False
-                if (l, J) in rm._parameter_matrix:
-                    params = rm._parameter_matrix[l, J]
-
-                    for i_res in range(params.shape[0]):
-                        # Sometimes, the same (l, J) quantum numbers can occur
-                        # for different values of the channel spin, s. In this
-                        # case, the sign of the channel spin indicates which
-                        # spin is to be used. If the spin is negative assume
-                        # this resonance comes from the I - 1/2 channel and vice
-                        # versa.
-                        j = params[i_res, 2]
-                        if l > 0:
-                            if (j < 0 and s != smin) or (j > 0 and s != smax):
-                                continue
-
-                        # Copy resonance parameters
-                        E_r = params[i_res, 0]
-                        gn = params[i_res, 3]
-                        gg = params[i_res, 4]
-                        gfa = params[i_res, 5]
-                        gfb = params[i_res, 6]
-                        P_r = params[i_res, 7]
-
-                        # Calculate neutron width at energy E
-                        gn = sqrt(P*gn/P_r)
-
-                        # Calculate j/2 * inverse of denominator of K matrix terms
-                        factor = 0.5j/(E_r - E - 0.5j*gg)
-
-                        # Upper triangular portion of K matrix -- see ENDF-102,
-                        # Equation D.28
-                        K[0,0] = K[0,0] + gn*gn*factor
-                        if gfa != 0.0 or gfb != 0.0:
-                            # Negate fission widths if necessary
-                            gfa = (-1 if gfa < 0 else 1)*sqrt(abs(gfa))
-                            gfb = (-1 if gfb < 0 else 1)*sqrt(abs(gfb))
-
-                            K[0,1] = K[0,1] + gn*gfa*factor
-                            K[0,2] = K[0,2] + gn*gfb*factor
-                            K[1,1] = K[1,1] + gfa*gfa*factor
-                            K[1,2] = K[1,2] + gfa*gfb*factor
-                            K[2,2] = K[2,2] + gfb*gfb*factor
-                            hasfission = True
-
-                # Get collision matrix
-                gJ = (2*J + 1)/(4*I + 2)
-                if hasfission:
-                    # Copy upper triangular portion of K to lower triangular
-                    K[1,0] = K[0,1]
-                    K[2,0] = K[0,2]
-                    K[2,1] = K[1,2]
-
-                    Imat = inv(one - K)
-                    U = Ubar*(2*Imat - one)  # ENDF-102, Eq. D.27
-                    elastic += gJ*cabs(1 - U[0,0])**2  # ENDF-102, Eq. D.24
-                    total += 2*gJ*(1 - creal(U[0,0]))  # ENDF-102, Eq. D.23
-
-                    # Calculate fission from ENDF-102, Eq. D.26
-                    fission += 4*gJ*(cabs(Imat[1,0])**2 + cabs(Imat[2,0])**2)
-                else:
-                    U_ = Ubar*(2/(1 - K[0,0]) - 1)
-                    if abs(creal(K[0,0])) < 3e-4 and abs(phi) < 3e-4:
-                        # If K and phi are both very small, the calculated cross
-                        # sections can lose precision because the real part of U
-                        # ends up very close to unity. To get around this, we
-                        # use Euler's formula to express Ubar by real and
-                        # imaginary parts, expand cos(2phi) = 1 - 2phi^2 +
-                        # O(phi^4), and then simplify
-                        Kr = creal(K[0,0])
-                        Ki = cimag(K[0,0])
-                        x = 2*(-Kr + (Kr*Kr + Ki*Ki)*(1 - phi*phi) + phi*phi -
-                               sin(2*phi)*Ki)/((1 - Kr)*(1 - Kr) + Ki*Ki)
-                        total += 2*gJ*x
-                        elastic += gJ*(x*x + cimag(U_)**2)
-                    else:
-                        total += 2*gJ*(1 - creal(U_))   # ENDF-102, Eq. D.23
-                        elastic += gJ*cabs(1 - U_)**2   # ENDF-102, Eq. D.24
-
-    # Calculate capture as difference of other cross sections as per ENDF-102,
-    # Equation D.25
-    capture = total - elastic - fission
-
-    elastic *= M_PI/(k*k)
-    capture *= M_PI/(k*k)
-    fission *= M_PI/(k*k)
-
-    return (elastic, capture, fission)
diff --git a/pyproject.toml b/pyproject.toml
index 98b1d152f..39aa261c1 100644
--- a/pyproject.toml
+++ b/pyproject.toml
@@ -1,5 +1,6 @@
 [build-system]
-requires = ["setuptools", "wheel", "numpy", "cython"]
+requires = ["setuptools", "wheel"]
+build-backend = "setuptools.build_meta"
 
 [project]
 name = "openmc"
diff --git a/setup.py b/setup.py
deleted file mode 100755
index 88a45a360..000000000
--- a/setup.py
+++ /dev/null
@@ -1,14 +0,0 @@
-#!/usr/bin/env python
-
-import numpy as np
-from setuptools import setup
-from Cython.Build import cythonize
-
-
-kwargs = {
-    # Cython is used to add resonance reconstruction
-    'ext_modules': cythonize('openmc/data/*.pyx'),
-    'include_dirs': [np.get_include()]
-}
-
-setup(**kwargs)
diff --git a/tests/unit_tests/test_data_neutron.py b/tests/unit_tests/test_data_neutron.py
index c0d6a1f15..db6ae1eb8 100644
--- a/tests/unit_tests/test_data_neutron.py
+++ b/tests/unit_tests/test_data_neutron.py
@@ -282,10 +282,6 @@ def test_slbw(xe135):
     s = resolved.parameters.iloc[0]
     assert s['energy'] == pytest.approx(0.084)
 
-    xs = resolved.reconstruct([10., 30., 100.])
-    assert sorted(xs.keys()) == [2, 18, 102]
-    assert np.all(xs[18] == 0.0)
-
 
 def test_mlbw(sm150):
     resolved = sm150.resonances.resolved
@@ -294,10 +290,6 @@ def test_mlbw(sm150):
     assert resolved.energy_max == pytest.approx(1570.)
     assert resolved.target_spin == 0.0
 
-    xs = resolved.reconstruct([10., 100., 1000.])
-    assert sorted(xs.keys()) == [2, 18, 102]
-    assert np.all(xs[18] == 0.0)
-
 
 def test_reichmoore(gd154):
     res = gd154.resonances
@@ -319,7 +311,6 @@ def test_reichmoore(gd154):
 
     elastic = gd154.reactions[2].xs['0K']
     assert isinstance(elastic, openmc.data.ResonancesWithBackground)
-    assert elastic(0.0253) == pytest.approx(5.7228949796394524)
 
 
 def test_rml(cl35):
@@ -347,8 +338,6 @@ def test_mlbw_cov_lcomp0(cf252):
     assert not subset.parameters.empty
     assert (subset.file2res.parameters['energy'] < 100).all()
     samples = cov.sample(1)
-    xs = samples[0].reconstruct([10., 100., 1000.])
-    assert sorted(xs.keys()) == [2, 18, 102]
 
 
 def test_mlbw_cov_lcomp1(ti50):
@@ -365,9 +354,7 @@ def test_mlbw_cov_lcomp1(ti50):
     subset = cov.subset('L', [1, 1])
     assert not subset.parameters.empty
     assert (subset.file2res.parameters['L'] == 1).all()
-    samples = cov.sample(1)
-    xs = samples[0].reconstruct([10., 100., 1000.])
-    assert sorted(xs.keys()) == [2, 18, 102]
+    cov.sample(1)
 
 
 def test_mlbw_cov_lcomp2(na23):
@@ -384,9 +371,7 @@ def test_mlbw_cov_lcomp2(na23):
     subset = cov.subset('L', [1, 1])
     assert not subset.parameters.empty
     assert (subset.file2res.parameters['L'] == 1).all()
-    samples = cov.sample(1)
-    xs = samples[0].reconstruct([10., 100., 1000.])
-    assert sorted(xs.keys()) == [2, 18, 102]
+    cov.sample(1)
 
 
 def test_rmcov_lcomp1(gd154):
@@ -403,9 +388,7 @@ def test_rmcov_lcomp1(gd154):
     subset = cov.subset('energy', [0, 100])
     assert not subset.parameters.empty
     assert (subset.file2res.parameters['energy'] < 100).all()
-    samples = cov.sample(1)
-    xs = samples[0].reconstruct([10., 100., 1000.])
-    assert sorted(xs.keys()) == [2, 18, 102]
+    cov.sample(1)
 
 
 def test_rmcov_lcomp2(th232):
@@ -422,9 +405,7 @@ def test_rmcov_lcomp2(th232):
     subset = cov.subset('energy', [0, 100])
     assert not subset.parameters.empty
     assert (subset.file2res.parameters['energy'] < 100).all()
-    samples = cov.sample(1)
-    xs = samples[0].reconstruct([10., 100., 1000.])
-    assert sorted(xs.keys()) == [2, 18, 102]
+    cov.sample(1)
 
 
 def test_madland_nix(am241):
diff --git a/tools/ci/gha-install.sh b/tools/ci/gha-install.sh
index 87952fda9..cff7dc834 100755
--- a/tools/ci/gha-install.sh
+++ b/tools/ci/gha-install.sh
@@ -40,8 +40,7 @@ if [[ $MPI == 'y' ]]; then
     export CC=mpicc
     export HDF5_MPI=ON
     export HDF5_DIR=/usr/lib/x86_64-linux-gnu/hdf5/mpich
-    pip install wheel "cython<3.0"
-    pip install --no-binary=h5py --no-build-isolation h5py
+    pip install --no-binary=h5py h5py
 fi
 
 # Build and install OpenMC executable

From 10c511a0e24b8b0a0703441bb47ca4fd1012f23b Mon Sep 17 00:00:00 2001
From: Zoe Prieto <101403129+zoeprieto@users.noreply.github.com>
Date: Thu, 15 Aug 2024 12:10:26 -0300
Subject: [PATCH 2142/2654] Nuclide temperatures - solution to issue #3102 
 (#3110)

---
 include/openmc/string_utils.h | 18 +++++++++++++++++-
 src/mgxs.cpp                  | 33 ++++++++++++++++++---------------
 src/nuclide.cpp               | 19 +++++++++++--------
 src/string_utils.cpp          |  3 +--
 src/thermal.cpp               | 24 ++++++++++++++----------
 5 files changed, 61 insertions(+), 36 deletions(-)

diff --git a/include/openmc/string_utils.h b/include/openmc/string_utils.h
index 6b4c69d48..2e8b0d14f 100644
--- a/include/openmc/string_utils.h
+++ b/include/openmc/string_utils.h
@@ -1,6 +1,7 @@
 #ifndef OPENMC_STRING_UTILS_H
 #define OPENMC_STRING_UTILS_H
 
+#include <sstream>
 #include <string>
 
 #include "openmc/vector.h"
@@ -15,7 +16,7 @@ std::string to_element(const std::string& name);
 
 void to_lower(std::string& str);
 
-int word_count(std::string const& str);
+int word_count(const std::string& str);
 
 vector<std::string> split(const std::string& in);
 
@@ -23,5 +24,20 @@ bool ends_with(const std::string& value, const std::string& ending);
 
 bool starts_with(const std::string& value, const std::string& beginning);
 
+template<typename T>
+inline std::string concatenate(const T& values, const std::string& del = ", ")
+{
+  if (values.size() == 0)
+    return "";
+
+  std::stringstream oss;
+  auto it = values.begin();
+  oss << *it++;
+  while (it != values.end()) {
+    oss << del << *it++;
+  }
+  return oss.str();
+}
+
 } // namespace openmc
 #endif // OPENMC_STRING_UTILS_H
diff --git a/src/mgxs.cpp b/src/mgxs.cpp
index 9eae5a7da..eae3e5817 100644
--- a/src/mgxs.cpp
+++ b/src/mgxs.cpp
@@ -72,18 +72,18 @@ void Mgxs::metadata_from_hdf5(hid_t xs_id, const vector<double>& temperature,
   }
   get_datasets(kT_group, dset_names);
   vector<size_t> shape = {num_temps};
-  xt::xarray<double> available_temps(shape);
+  xt::xarray<double> temps_available(shape);
   for (int i = 0; i < num_temps; i++) {
-    read_double(kT_group, dset_names[i], &available_temps[i], true);
+    read_double(kT_group, dset_names[i], &temps_available[i], true);
 
     // convert eV to Kelvin
-    available_temps[i] /= K_BOLTZMANN;
+    temps_available[i] = std::round(temps_available[i] / K_BOLTZMANN);
 
     // Done with dset_names, so delete it
     delete[] dset_names[i];
   }
   delete[] dset_names;
-  std::sort(available_temps.begin(), available_temps.end());
+  std::sort(temps_available.begin(), temps_available.end());
 
   // If only one temperature is available, lets just use nearest temperature
   // interpolation
@@ -99,17 +99,20 @@ void Mgxs::metadata_from_hdf5(hid_t xs_id, const vector<double>& temperature,
   case TemperatureMethod::NEAREST:
     // Determine actual temperatures to read
     for (const auto& T : temperature) {
-      auto i_closest = xt::argmin(xt::abs(available_temps - T))[0];
-      double temp_actual = available_temps[i_closest];
+      auto i_closest = xt::argmin(xt::abs(temps_available - T))[0];
+      double temp_actual = temps_available[i_closest];
       if (std::fabs(temp_actual - T) < settings::temperature_tolerance) {
         if (std::find(temps_to_read.begin(), temps_to_read.end(),
               std::round(temp_actual)) == temps_to_read.end()) {
           temps_to_read.push_back(std::round(temp_actual));
         }
       } else {
-        fatal_error(fmt::format("MGXS library does not contain cross sections "
-                                "for {} at or near {} K.",
-          in_name, std::round(T)));
+        fatal_error(fmt::format(
+          "MGXS library does not contain cross sections "
+          "for {} at or near {} K. Available temperatures "
+          "are {} K. Consider making use of openmc.Settings.temperature "
+          "to specify how intermediate temperatures are treated.",
+          in_name, std::round(T), concatenate(temps_available)));
       }
     }
     break;
@@ -122,16 +125,16 @@ void Mgxs::metadata_from_hdf5(hid_t xs_id, const vector<double>& temperature,
                       in_name + " at temperatures that bound " +
                       std::to_string(std::round(temperature[i])));
         }
-        if ((available_temps[j] <= temperature[i]) &&
-            (temperature[i] < available_temps[j + 1])) {
+        if ((temps_available[j] <= temperature[i]) &&
+            (temperature[i] < temps_available[j + 1])) {
           if (std::find(temps_to_read.begin(), temps_to_read.end(),
-                std::round(available_temps[j])) == temps_to_read.end()) {
-            temps_to_read.push_back(std::round((int)available_temps[j]));
+                temps_available[j]) == temps_to_read.end()) {
+            temps_to_read.push_back(temps_available[j]);
           }
 
           if (std::find(temps_to_read.begin(), temps_to_read.end(),
-                std::round(available_temps[j + 1])) == temps_to_read.end()) {
-            temps_to_read.push_back(std::round((int)available_temps[j + 1]));
+                temps_available[j + 1]) == temps_to_read.end()) {
+            temps_to_read.push_back(temps_available[j + 1]);
           }
           break;
         }
diff --git a/src/nuclide.cpp b/src/nuclide.cpp
index 04ec11073..f720f848b 100644
--- a/src/nuclide.cpp
+++ b/src/nuclide.cpp
@@ -86,7 +86,7 @@ Nuclide::Nuclide(hid_t group, const vector<double>& temperature)
   for (const auto& name : dset_names) {
     double T;
     read_dataset(kT_group, name.c_str(), T);
-    temps_available.push_back(T / K_BOLTZMANN);
+    temps_available.push_back(std::round(T / K_BOLTZMANN));
   }
   std::sort(temps_available.begin(), temps_available.end());
 
@@ -158,9 +158,12 @@ Nuclide::Nuclide(hid_t group, const vector<double>& temperature)
           }
         }
       } else {
-        fatal_error(
-          "Nuclear data library does not contain cross sections for " + name_ +
-          " at or near " + std::to_string(T_desired) + " K.");
+        fatal_error(fmt::format(
+          "Nuclear data library does not contain cross sections "
+          "for {}  at or near {} K. Available temperatures "
+          "are {} K. Consider making use of openmc.Settings.temperature "
+          "to specify how intermediate temperatures are treated.",
+          name_, std::to_string(T_desired), concatenate(temps_available)));
       }
     }
     break;
@@ -173,8 +176,8 @@ Nuclide::Nuclide(hid_t group, const vector<double>& temperature)
       for (int j = 0; j < temps_available.size() - 1; ++j) {
         if (temps_available[j] <= T_desired &&
             T_desired < temps_available[j + 1]) {
-          int T_j = std::round(temps_available[j]);
-          int T_j1 = std::round(temps_available[j + 1]);
+          int T_j = temps_available[j];
+          int T_j1 = temps_available[j + 1];
           if (!contains(temps_to_read, T_j)) {
             temps_to_read.push_back(T_j);
           }
@@ -191,14 +194,14 @@ Nuclide::Nuclide(hid_t group, const vector<double>& temperature)
         if (std::abs(T_desired - temps_available.front()) <=
             settings::temperature_tolerance) {
           if (!contains(temps_to_read, temps_available.front())) {
-            temps_to_read.push_back(std::round(temps_available.front()));
+            temps_to_read.push_back(temps_available.front());
           }
           continue;
         }
         if (std::abs(T_desired - temps_available.back()) <=
             settings::temperature_tolerance) {
           if (!contains(temps_to_read, temps_available.back())) {
-            temps_to_read.push_back(std::round(temps_available.back()));
+            temps_to_read.push_back(temps_available.back());
           }
           continue;
         }
diff --git a/src/string_utils.cpp b/src/string_utils.cpp
index 3b1c1b4a6..74f048e8d 100644
--- a/src/string_utils.cpp
+++ b/src/string_utils.cpp
@@ -2,7 +2,6 @@
 
 #include <algorithm> // for equal
 #include <cctype>    // for tolower, isspace
-#include <sstream>
 
 namespace openmc {
 
@@ -36,7 +35,7 @@ void to_lower(std::string& str)
     str[i] = std::tolower(str[i]);
 }
 
-int word_count(std::string const& str)
+int word_count(const std::string& str)
 {
   std::stringstream stream(str);
   std::string dum;
diff --git a/src/thermal.cpp b/src/thermal.cpp
index 741f89ed1..cbe0983ed 100644
--- a/src/thermal.cpp
+++ b/src/thermal.cpp
@@ -19,6 +19,7 @@
 #include "openmc/secondary_correlated.h"
 #include "openmc/secondary_thermal.h"
 #include "openmc/settings.h"
+#include "openmc/string_utils.h"
 
 namespace openmc {
 
@@ -59,7 +60,7 @@ ThermalScattering::ThermalScattering(
     // Read temperature value
     double T;
     read_dataset(kT_group, dset_names[i].data(), T);
-    temps_available[i] = T / K_BOLTZMANN;
+    temps_available[i] = std::round(T / K_BOLTZMANN);
   }
   std::sort(temps_available.begin(), temps_available.end());
 
@@ -89,9 +90,12 @@ ThermalScattering::ThermalScattering(
           temps_to_read.push_back(std::round(temp_actual));
         }
       } else {
-        fatal_error(fmt::format("Nuclear data library does not contain cross "
-                                "sections for {} at or near {} K.",
-          name_, std::round(T)));
+        fatal_error(fmt::format(
+          "Nuclear data library does not contain cross sections "
+          "for {}  at or near {} K. Available temperatures "
+          "are {} K. Consider making use of openmc.Settings.temperature "
+          "to specify how intermediate temperatures are treated.",
+          name_, std::round(T), concatenate(temps_available)));
       }
     }
     break;
@@ -103,8 +107,8 @@ ThermalScattering::ThermalScattering(
       bool found = false;
       for (int j = 0; j < temps_available.size() - 1; ++j) {
         if (temps_available[j] <= T && T < temps_available[j + 1]) {
-          int T_j = std::round(temps_available[j]);
-          int T_j1 = std::round(temps_available[j + 1]);
+          int T_j = temps_available[j];
+          int T_j1 = temps_available[j + 1];
           if (std::find(temps_to_read.begin(), temps_to_read.end(), T_j) ==
               temps_to_read.end()) {
             temps_to_read.push_back(T_j);
@@ -122,14 +126,14 @@ ThermalScattering::ThermalScattering(
         if (std::abs(T - temps_available[0]) <=
             settings::temperature_tolerance) {
           if (std::find(temps_to_read.begin(), temps_to_read.end(),
-                std::round(temps_available[0])) == temps_to_read.end()) {
-            temps_to_read.push_back(std::round(temps_available[0]));
+                temps_available[0]) == temps_to_read.end()) {
+            temps_to_read.push_back(temps_available[0]);
           }
         } else if (std::abs(T - temps_available[n - 1]) <=
                    settings::temperature_tolerance) {
           if (std::find(temps_to_read.begin(), temps_to_read.end(),
-                std::round(temps_available[n - 1])) == temps_to_read.end()) {
-            temps_to_read.push_back(std::round(temps_available[n - 1]));
+                temps_available[n - 1]) == temps_to_read.end()) {
+            temps_to_read.push_back(temps_available[n - 1]);
           }
         } else {
           fatal_error(

From e7bc9ba23c896f758c3a4139133cd58eb2b9c1f9 Mon Sep 17 00:00:00 2001
From: Youssef Badr <104090877+ybadr16@users.noreply.github.com>
Date: Fri, 16 Aug 2024 00:56:22 +0300
Subject: [PATCH 2143/2654] Added error if cross sections path is a folder
 (#3115)

---
 src/cross_sections.cpp | 4 ++++
 1 file changed, 4 insertions(+)

diff --git a/src/cross_sections.cpp b/src/cross_sections.cpp
index a7bd86095..248ae9019 100644
--- a/src/cross_sections.cpp
+++ b/src/cross_sections.cpp
@@ -283,6 +283,10 @@ void read_ce_cross_sections_xml()
 {
   // Check if cross_sections.xml exists
   const auto& filename = settings::path_cross_sections;
+  if (dir_exists(filename)) {
+    fatal_error("OPENMC_CROSS_SECTIONS is set to a directory. "
+                "It should be set to an XML file.");
+  }
   if (!file_exists(filename)) {
     // Could not find cross_sections.xml file
     fatal_error("Cross sections XML file '" + filename + "' does not exist.");

From b22656e57f9469d25f14a203831bcdb390cd84db Mon Sep 17 00:00:00 2001
From: John Tramm <john.tramm@gmail.com>
Date: Thu, 15 Aug 2024 20:47:05 -0500
Subject: [PATCH 2144/2654] Fix random ray solver to correctly simulate fixed
 source problems with fissionable materials (#3106)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/examples.py                            |   2 +-
 src/random_ray/flat_source_domain.cpp         |  40 ++---
 .../__init__.py                               |   0
 .../flat/inputs_true.dat                      | 140 +++++++++++++++
 .../flat/results_true.dat                     | 169 ++++++++++++++++++
 .../linear_xy/inputs_true.dat                 | 140 +++++++++++++++
 .../linear_xy/results_true.dat                | 169 ++++++++++++++++++
 .../test.py                                   | 133 ++++++++++++++
 8 files changed, 772 insertions(+), 21 deletions(-)
 create mode 100644 tests/regression_tests/random_ray_fixed_source_subcritical/__init__.py
 create mode 100644 tests/regression_tests/random_ray_fixed_source_subcritical/flat/inputs_true.dat
 create mode 100644 tests/regression_tests/random_ray_fixed_source_subcritical/flat/results_true.dat
 create mode 100644 tests/regression_tests/random_ray_fixed_source_subcritical/linear_xy/inputs_true.dat
 create mode 100644 tests/regression_tests/random_ray_fixed_source_subcritical/linear_xy/results_true.dat
 create mode 100644 tests/regression_tests/random_ray_fixed_source_subcritical/test.py

diff --git a/openmc/examples.py b/openmc/examples.py
index 038c75ad2..538b6ea4a 100644
--- a/openmc/examples.py
+++ b/openmc/examples.py
@@ -804,7 +804,7 @@ def random_ray_lattice() -> openmc.Model:
         azimuthal_cells.append(azimuthal_cell)
 
     # Create a geometry with the azimuthal universes
-    pincell = openmc.Universe(cells=azimuthal_cells)
+    pincell = openmc.Universe(cells=azimuthal_cells, name='pincell')
 
     ########################################
     # Define a moderator lattice universe
diff --git a/src/random_ray/flat_source_domain.cpp b/src/random_ray/flat_source_domain.cpp
index 8b6cda93f..584b3a7ed 100644
--- a/src/random_ray/flat_source_domain.cpp
+++ b/src/random_ray/flat_source_domain.cpp
@@ -158,31 +158,31 @@ void FlatSourceDomain::update_neutron_source(double k_eff)
     }
   }
 
-  if (settings::run_mode == RunMode::EIGENVALUE) {
-    // Add fission source if in eigenvalue mode
+  // Add fission source
 #pragma omp parallel for
-    for (int sr = 0; sr < n_source_regions_; sr++) {
-      int material = material_[sr];
+  for (int sr = 0; sr < n_source_regions_; sr++) {
+    int material = material_[sr];
 
-      for (int e_out = 0; e_out < negroups_; e_out++) {
-        float sigma_t = data::mg.macro_xs_[material].get_xs(
-          MgxsType::TOTAL, e_out, nullptr, nullptr, nullptr, t, a);
-        float fission_source = 0.0f;
+    for (int e_out = 0; e_out < negroups_; e_out++) {
+      float sigma_t = data::mg.macro_xs_[material].get_xs(
+        MgxsType::TOTAL, e_out, nullptr, nullptr, nullptr, t, a);
+      float fission_source = 0.0f;
 
-        for (int e_in = 0; e_in < negroups_; e_in++) {
-          float scalar_flux = scalar_flux_old_[sr * negroups_ + e_in];
-          float nu_sigma_f = data::mg.macro_xs_[material].get_xs(
-            MgxsType::NU_FISSION, e_in, nullptr, nullptr, nullptr, t, a);
-          float chi = data::mg.macro_xs_[material].get_xs(
-            MgxsType::CHI_PROMPT, e_in, &e_out, nullptr, nullptr, t, a);
-          fission_source += nu_sigma_f * scalar_flux * chi;
-        }
-        source_[sr * negroups_ + e_out] +=
-          fission_source * inverse_k_eff / sigma_t;
+      for (int e_in = 0; e_in < negroups_; e_in++) {
+        float scalar_flux = scalar_flux_old_[sr * negroups_ + e_in];
+        float nu_sigma_f = data::mg.macro_xs_[material].get_xs(
+          MgxsType::NU_FISSION, e_in, nullptr, nullptr, nullptr, t, a);
+        float chi = data::mg.macro_xs_[material].get_xs(
+          MgxsType::CHI_PROMPT, e_in, &e_out, nullptr, nullptr, t, a);
+        fission_source += nu_sigma_f * scalar_flux * chi;
       }
+      source_[sr * negroups_ + e_out] +=
+        fission_source * inverse_k_eff / sigma_t;
     }
-  } else {
-// Add external source if in fixed source mode
+  }
+
+  // Add external source if in fixed source mode
+  if (settings::run_mode == RunMode::FIXED_SOURCE) {
 #pragma omp parallel for
     for (int se = 0; se < n_source_elements_; se++) {
       source_[se] += external_source_[se];
diff --git a/tests/regression_tests/random_ray_fixed_source_subcritical/__init__.py b/tests/regression_tests/random_ray_fixed_source_subcritical/__init__.py
new file mode 100644
index 000000000..e69de29bb
diff --git a/tests/regression_tests/random_ray_fixed_source_subcritical/flat/inputs_true.dat b/tests/regression_tests/random_ray_fixed_source_subcritical/flat/inputs_true.dat
new file mode 100644
index 000000000..0bf4cfdc9
--- /dev/null
+++ b/tests/regression_tests/random_ray_fixed_source_subcritical/flat/inputs_true.dat
@@ -0,0 +1,140 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <cross_sections>mgxs.h5</cross_sections>
+    <material id="1" name="UO2 fuel">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="UO2"/>
+    </material>
+    <material id="2" name="Water">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="LWTR"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" name="fuel inner a" region="-2" universe="1"/>
+    <cell id="2" material="1" name="fuel inner b" region="2 -3" universe="1"/>
+    <cell id="3" material="1" name="fuel inner c" region="3 -1" universe="1"/>
+    <cell id="4" material="2" name="moderator inner a" region="1 -4" universe="1"/>
+    <cell id="5" material="2" name="moderator outer b" region="4 -5" universe="1"/>
+    <cell id="6" material="2" name="moderator outer c" region="5" universe="1"/>
+    <cell fill="1" id="7" name="azimuthal_cell_0" region="6 -7" universe="2"/>
+    <cell fill="1" id="8" name="azimuthal_cell_1" region="7 -8" universe="2"/>
+    <cell fill="1" id="9" name="azimuthal_cell_2" region="8 -9" universe="2"/>
+    <cell fill="1" id="10" name="azimuthal_cell_3" region="9 -10" universe="2"/>
+    <cell fill="1" id="11" name="azimuthal_cell_4" region="10 -11" universe="2"/>
+    <cell fill="1" id="12" name="azimuthal_cell_5" region="11 -12" universe="2"/>
+    <cell fill="1" id="13" name="azimuthal_cell_6" region="12 -13" universe="2"/>
+    <cell fill="1" id="14" name="azimuthal_cell_7" region="13 -6" universe="2"/>
+    <cell id="18" material="2" name="moderator infinite" universe="8"/>
+    <cell id="19" material="2" name="moderator infinite 2" universe="9"/>
+    <cell fill="10" id="20" universe="12"/>
+    <cell fill="11" id="21" universe="13"/>
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+    </lattice>
+    <lattice id="11">
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+    <surface boundary="reflective" coeffs="-1.26" id="18" name="minimum x" type="x-plane"/>
+    <surface boundary="reflective" coeffs="1.26" id="19" name="maximum x" type="x-plane"/>
+    <surface boundary="reflective" coeffs="-1.26" id="20" name="minimum y" type="y-plane"/>
+    <surface boundary="reflective" coeffs="1.26" id="21" name="maximum y" type="y-plane"/>
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>30</particles>
+    <batches>125</batches>
+    <inactive>100</inactive>
+    <source particle="neutron" strength="1.0" type="independent">
+      <space type="box">
+        <parameters>1.134 -1.26 -1.0 1.26 -1.134 1.0</parameters>
+      </space>
+      <energy type="discrete">
+        <parameters>2e-05 0.0735 20.0 200.0 2000.0 750000.0 2000000.0 0.14285714285714285 0.14285714285714285 0.14285714285714285 0.14285714285714285 0.14285714285714285 0.14285714285714285 0.14285714285714285</parameters>
+      </energy>
+      <constraints>
+        <domain_type>universe</domain_type>
+        <domain_ids>9</domain_ids>
+      </constraints>
+    </source>
+    <energy_mode>multi-group</energy_mode>
+    <random_ray>
+      <distance_active>40.0</distance_active>
+      <distance_inactive>40.0</distance_inactive>
+      <source particle="neutron" strength="1.0" type="independent">
+        <space type="box">
+          <parameters>-1.26 -1.26 -1 1.26 1.26 1</parameters>
+        </space>
+      </source>
+      <volume_normalized_flux_tallies>False</volume_normalized_flux_tallies>
+      <source_shape>flat</source_shape>
+    </random_ray>
+  </settings>
+  <tallies>
+    <mesh id="1">
+      <dimension>2 2</dimension>
+      <lower_left>-1.26 -1.26</lower_left>
+      <upper_right>1.26 1.26</upper_right>
+    </mesh>
+    <filter id="1" type="mesh">
+      <bins>1</bins>
+    </filter>
+    <filter id="2" type="energy">
+      <bins>1e-05 0.0635 10.0 100.0 1000.0 500000.0 1000000.0 20000000.0</bins>
+    </filter>
+    <tally id="1" name="Mesh tally">
+      <filters>1 2</filters>
+      <scores>flux fission nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/random_ray_fixed_source_subcritical/flat/results_true.dat b/tests/regression_tests/random_ray_fixed_source_subcritical/flat/results_true.dat
new file mode 100644
index 000000000..e9d2a733d
--- /dev/null
+++ b/tests/regression_tests/random_ray_fixed_source_subcritical/flat/results_true.dat
@@ -0,0 +1,169 @@
+tally 1:
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diff --git a/tests/regression_tests/random_ray_fixed_source_subcritical/linear_xy/inputs_true.dat b/tests/regression_tests/random_ray_fixed_source_subcritical/linear_xy/inputs_true.dat
new file mode 100644
index 000000000..f7572a072
--- /dev/null
+++ b/tests/regression_tests/random_ray_fixed_source_subcritical/linear_xy/inputs_true.dat
@@ -0,0 +1,140 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <cross_sections>mgxs.h5</cross_sections>
+    <material id="1" name="UO2 fuel">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="UO2"/>
+    </material>
+    <material id="2" name="Water">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="LWTR"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" name="fuel inner a" region="-2" universe="1"/>
+    <cell id="2" material="1" name="fuel inner b" region="2 -3" universe="1"/>
+    <cell id="3" material="1" name="fuel inner c" region="3 -1" universe="1"/>
+    <cell id="4" material="2" name="moderator inner a" region="1 -4" universe="1"/>
+    <cell id="5" material="2" name="moderator outer b" region="4 -5" universe="1"/>
+    <cell id="6" material="2" name="moderator outer c" region="5" universe="1"/>
+    <cell fill="1" id="7" name="azimuthal_cell_0" region="6 -7" universe="2"/>
+    <cell fill="1" id="8" name="azimuthal_cell_1" region="7 -8" universe="2"/>
+    <cell fill="1" id="9" name="azimuthal_cell_2" region="8 -9" universe="2"/>
+    <cell fill="1" id="10" name="azimuthal_cell_3" region="9 -10" universe="2"/>
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+    <cell fill="1" id="13" name="azimuthal_cell_6" region="12 -13" universe="2"/>
+    <cell fill="1" id="14" name="azimuthal_cell_7" region="13 -6" universe="2"/>
+    <cell id="18" material="2" name="moderator infinite" universe="8"/>
+    <cell id="19" material="2" name="moderator infinite 2" universe="9"/>
+    <cell fill="10" id="20" universe="12"/>
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+      <pitch>0.126 0.126</pitch>
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+    </lattice>
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+      <lower_left>-1.26 -1.26</lower_left>
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+    </lattice>
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+    <surface coeffs="0.0 0.0 0.6" id="4" name="outer ring a" type="z-cylinder"/>
+    <surface coeffs="0.0 0.0 0.69" id="5" name="outer ring b" type="z-cylinder"/>
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+    <surface coeffs="0.7071067811865477 0.7071067811865474 0 0" id="13" type="plane"/>
+    <surface boundary="reflective" coeffs="-1.26" id="18" name="minimum x" type="x-plane"/>
+    <surface boundary="reflective" coeffs="1.26" id="19" name="maximum x" type="x-plane"/>
+    <surface boundary="reflective" coeffs="-1.26" id="20" name="minimum y" type="y-plane"/>
+    <surface boundary="reflective" coeffs="1.26" id="21" name="maximum y" type="y-plane"/>
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>30</particles>
+    <batches>125</batches>
+    <inactive>100</inactive>
+    <source particle="neutron" strength="1.0" type="independent">
+      <space type="box">
+        <parameters>1.134 -1.26 -1.0 1.26 -1.134 1.0</parameters>
+      </space>
+      <energy type="discrete">
+        <parameters>2e-05 0.0735 20.0 200.0 2000.0 750000.0 2000000.0 0.14285714285714285 0.14285714285714285 0.14285714285714285 0.14285714285714285 0.14285714285714285 0.14285714285714285 0.14285714285714285</parameters>
+      </energy>
+      <constraints>
+        <domain_type>universe</domain_type>
+        <domain_ids>9</domain_ids>
+      </constraints>
+    </source>
+    <energy_mode>multi-group</energy_mode>
+    <random_ray>
+      <distance_active>40.0</distance_active>
+      <distance_inactive>40.0</distance_inactive>
+      <source particle="neutron" strength="1.0" type="independent">
+        <space type="box">
+          <parameters>-1.26 -1.26 -1 1.26 1.26 1</parameters>
+        </space>
+      </source>
+      <volume_normalized_flux_tallies>False</volume_normalized_flux_tallies>
+      <source_shape>linear_xy</source_shape>
+    </random_ray>
+  </settings>
+  <tallies>
+    <mesh id="1">
+      <dimension>2 2</dimension>
+      <lower_left>-1.26 -1.26</lower_left>
+      <upper_right>1.26 1.26</upper_right>
+    </mesh>
+    <filter id="1" type="mesh">
+      <bins>1</bins>
+    </filter>
+    <filter id="2" type="energy">
+      <bins>1e-05 0.0635 10.0 100.0 1000.0 500000.0 1000000.0 20000000.0</bins>
+    </filter>
+    <tally id="1" name="Mesh tally">
+      <filters>1 2</filters>
+      <scores>flux fission nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/random_ray_fixed_source_subcritical/linear_xy/results_true.dat b/tests/regression_tests/random_ray_fixed_source_subcritical/linear_xy/results_true.dat
new file mode 100644
index 000000000..90be5c569
--- /dev/null
+++ b/tests/regression_tests/random_ray_fixed_source_subcritical/linear_xy/results_true.dat
@@ -0,0 +1,169 @@
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+9.572799E+01
+3.677288E+02
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+5.842566E+01
+1.378719E+02
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
diff --git a/tests/regression_tests/random_ray_fixed_source_subcritical/test.py b/tests/regression_tests/random_ray_fixed_source_subcritical/test.py
new file mode 100644
index 000000000..6c2c569c6
--- /dev/null
+++ b/tests/regression_tests/random_ray_fixed_source_subcritical/test.py
@@ -0,0 +1,133 @@
+import os
+
+import openmc
+from openmc.examples import random_ray_lattice
+from openmc.utility_funcs import change_directory
+import pytest
+
+from tests.testing_harness import TolerantPyAPITestHarness
+
+
+class MGXSTestHarness(TolerantPyAPITestHarness):
+    def _cleanup(self):
+        super()._cleanup()
+        f = 'mgxs.h5'
+        if os.path.exists(f):
+            os.remove(f)
+
+
+@pytest.mark.parametrize("shape", ["flat", "linear_xy"])
+def test_random_ray_source(shape):
+    with change_directory(shape):
+        openmc.reset_auto_ids()
+
+        # The general strategy is to reuse the random_ray_lattice model,
+        # but redfine some of the geometry to make it a good
+        # subcritical multiplication problem. We then also add in
+        # a fixed source term.
+
+        model = random_ray_lattice()
+
+        # Begin by updating the random ray settings for fixed source
+        settings = model.settings
+        settings.random_ray['source_shape'] = shape
+        settings.run_mode = 'fixed source'
+        settings.particles = 30
+        settings.random_ray['distance_active'] = 40.0
+        settings.random_ray['distance_inactive'] = 40.0
+        settings.random_ray['volume_normalized_flux_tallies'] = False
+
+        # This problem needs about 2k iterations to converge,
+        # but for regression testing we only need a few hundred
+        # to ensure things are working as expected. With
+        # only 100 inactive batches, tallies will still be off
+        # by 3x or more. For validation against MGMC, be sure
+        # to increase the batch counts.
+        settings.batches = 125
+        settings.inactive = 100
+
+        ########################################
+        # Define the alternative geometry
+
+        pitch = 1.26
+
+        for material in model.materials:
+            if material.name == 'Water':
+                water = material
+
+        # The new geometry replaces two of the fuel pins with
+        # moderator, reducing k-eff to around 0.84. We also
+        # add a special universe in the corner of one of the moderator
+        # regions to use as a domain constraint for the source
+        moderator_infinite = openmc.Cell(fill=water, name='moderator infinite')
+        mu = openmc.Universe(cells=[moderator_infinite])
+
+        moderator_infinite2 = openmc.Cell(fill=water, name='moderator infinite 2')
+        mu2 = openmc.Universe(cells=[moderator_infinite2])
+
+        n_sub = 10
+
+        lattice = openmc.RectLattice()
+        lattice.lower_left = [-pitch/2.0, -pitch/2.0]
+        lattice.pitch = [pitch/n_sub, pitch/n_sub]
+        lattice.universes = [[mu] * n_sub for _ in range(n_sub)]
+
+        lattice2 = openmc.RectLattice()
+        lattice2.lower_left = [-pitch/2.0, -pitch/2.0]
+        lattice2.pitch = [pitch/n_sub, pitch/n_sub]
+        lattice2.universes = [[mu] * n_sub for _ in range(n_sub)]
+        lattice2.universes[n_sub-1][n_sub-1] = mu2
+
+        mod_lattice_cell = openmc.Cell(fill=lattice)
+        mod_lattice_uni = openmc.Universe(cells=[mod_lattice_cell])
+
+        mod_lattice_cell2 = openmc.Cell(fill=lattice2)
+        mod_lattice_uni2 = openmc.Universe(cells=[mod_lattice_cell2])
+
+        lattice2x2 = openmc.RectLattice()
+        lattice2x2.lower_left = [-pitch, -pitch]
+        lattice2x2.pitch = [pitch, pitch]
+
+        universes = model.geometry.get_all_universes()
+        for universe in universes.values():
+            if universe.name == 'pincell':
+                pincell = universe
+
+        lattice2x2.universes = [
+            [pincell, mod_lattice_uni],
+            [mod_lattice_uni, mod_lattice_uni2]
+        ]
+
+        box = openmc.model.RectangularPrism(
+            pitch*2, pitch*2, boundary_type='reflective')
+
+        assembly = openmc.Cell(fill=lattice2x2, region=-box, name='assembly')
+
+        root = openmc.Universe(name='root universe', cells=[assembly])
+        model.geometry = openmc.Geometry(root)
+
+        ########################################
+        # Define the fixed source term
+
+        s = 1.0 / 7.0
+        strengths = [s, s, s, s, s, s, s]
+        midpoints = [2.0e-5, 0.0735, 20.0, 2.0e2, 2.0e3, 0.75e6, 2.0e6]
+        energy_distribution = openmc.stats.Discrete(x=midpoints, p=strengths)
+
+        lower_left_src = [pitch - pitch/10.0, -pitch, -1.0]
+        upper_right_src = [pitch, -pitch + pitch/10.0, 1.0]
+        spatial_distribution = openmc.stats.Box(
+            lower_left_src, upper_right_src, only_fissionable=False)
+
+        settings.source = openmc.IndependentSource(
+            space=spatial_distribution,
+            energy=energy_distribution,
+            constraints={'domains': [mu2]},
+            strength=1.0
+        )
+
+        ########################################
+        # Run test
+
+        harness = MGXSTestHarness('statepoint.125.h5', model)
+        harness.main()

From 54c28b7705519c8e769de52c10ff1db4c81fc8e6 Mon Sep 17 00:00:00 2001
From: Lorenzo Chierici <l.chierici89@gmail.com>
Date: Fri, 16 Aug 2024 13:57:32 +0200
Subject: [PATCH 2145/2654] run microxs with mpi (#3028)

---
 openmc/deplete/microxs.py | 24 ++++++++++++++++++------
 1 file changed, 18 insertions(+), 6 deletions(-)

diff --git a/openmc/deplete/microxs.py b/openmc/deplete/microxs.py
index 39753529b..5be9875f3 100644
--- a/openmc/deplete/microxs.py
+++ b/openmc/deplete/microxs.py
@@ -21,6 +21,7 @@ import openmc
 from .chain import Chain, REACTIONS
 from .coupled_operator import _find_cross_sections, _get_nuclides_with_data
 import openmc.lib
+from openmc.mpi import comm
 
 _valid_rxns = list(REACTIONS)
 _valid_rxns.append('fission')
@@ -124,6 +125,15 @@ def get_microxs_and_flux(
     flux_tally.scores = ['flux']
     model.tallies = openmc.Tallies([rr_tally, flux_tally])
 
+    if openmc.lib.is_initialized:
+        openmc.lib.finalize()
+
+        if comm.rank == 0:
+            model.export_to_model_xml()
+        comm.barrier()
+        # Reinitialize with tallies
+        openmc.lib.init(intracomm=comm)
+
     # create temporary run
     with TemporaryDirectory() as temp_dir:
         if run_kwargs is None:
@@ -133,12 +143,15 @@ def get_microxs_and_flux(
         run_kwargs.setdefault('cwd', temp_dir)
         statepoint_path = model.run(**run_kwargs)
 
-        with StatePoint(statepoint_path) as sp:
-            rr_tally = sp.tallies[rr_tally.id]
-            rr_tally._read_results()
-            flux_tally = sp.tallies[flux_tally.id]
-            flux_tally._read_results()
+        if comm.rank == 0:
+            with StatePoint(statepoint_path) as sp:
+                rr_tally = sp.tallies[rr_tally.id]
+                rr_tally._read_results()
+                flux_tally = sp.tallies[flux_tally.id]
+                flux_tally._read_results()
 
+    rr_tally = comm.bcast(rr_tally)
+    flux_tally = comm.bcast(flux_tally)
     # Get reaction rates and flux values
     reaction_rates = rr_tally.get_reshaped_data()  # (domains, groups, nuclides, reactions)
     flux = flux_tally.get_reshaped_data()  # (domains, groups, 1, 1)
@@ -371,4 +384,3 @@ class MicroXS:
         )
         df = pd.DataFrame({'xs': self.data.flatten()}, index=multi_index)
         df.to_csv(*args, **kwargs)
-

From 4ef1faf766818a7c01569386d27451774406d542 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 16 Aug 2024 11:33:59 -0500
Subject: [PATCH 2146/2654] Add delta_function convenience function (#3090)

---
 docs/source/pythonapi/stats.rst |  1 +
 openmc/stats/univariate.py      | 21 +++++++++++++++++++++
 tests/unit_tests/test_stats.py  |  7 +++++++
 3 files changed, 29 insertions(+)

diff --git a/docs/source/pythonapi/stats.rst b/docs/source/pythonapi/stats.rst
index ffb4fcda2..b72896c18 100644
--- a/docs/source/pythonapi/stats.rst
+++ b/docs/source/pythonapi/stats.rst
@@ -28,6 +28,7 @@ Univariate Probability Distributions
    :nosignatures:
    :template: myfunction.rst
 
+   openmc.stats.delta_function
    openmc.stats.muir
 
 Angular Distributions
diff --git a/openmc/stats/univariate.py b/openmc/stats/univariate.py
index a47f4f320..10822c06f 100644
--- a/openmc/stats/univariate.py
+++ b/openmc/stats/univariate.py
@@ -312,6 +312,27 @@ class Discrete(Univariate):
             return type(self)(new_x, new_p)
 
 
+def delta_function(value: float, intensity: float = 1.0) -> Discrete:
+    """Return a discrete distribution with a single point.
+
+    .. versionadded:: 0.15.1
+
+    Parameters
+    ----------
+    value : float
+        Value of the random variable.
+    intensity : float, optional
+        When used for an energy distribution, this can be used to assign an
+        intensity.
+
+    Returns
+    -------
+    Discrete distribution with a single point
+
+    """
+    return Discrete([value], [intensity])
+
+
 class Uniform(Univariate):
     """Distribution with constant probability over a finite interval [a,b]
 
diff --git a/tests/unit_tests/test_stats.py b/tests/unit_tests/test_stats.py
index 5451c0a2c..0414fc225 100644
--- a/tests/unit_tests/test_stats.py
+++ b/tests/unit_tests/test_stats.py
@@ -50,6 +50,13 @@ def test_discrete():
     assert_sample_mean(samples, exp_mean)
 
 
+def test_delta_function():
+    d = openmc.stats.delta_function(14.1e6)
+    assert isinstance(d, openmc.stats.Discrete)
+    np.testing.assert_array_equal(d.x, [14.1e6])
+    np.testing.assert_array_equal(d.p, [1.0])
+
+
 def test_merge_discrete():
     x1 = [0.0, 1.0, 10.0]
     p1 = [0.3, 0.2, 0.5]

From 39a2d46e2636707d11f951fb4f206c2155c77198 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Sun, 18 Aug 2024 23:09:32 -0500
Subject: [PATCH 2147/2654] Implement bounding_box operation for meshes (#3119)

---
 cmake/Modules/FindLIBMESH.cmake |  2 +-
 include/openmc/bounding_box.h   | 61 +++++++++++++++++++++++++++++++++
 include/openmc/cell.h           |  1 +
 include/openmc/mesh.h           | 52 +++++++++++++++++++++++++---
 include/openmc/surface.h        | 50 +--------------------------
 include/openmc/universe.h       |  1 +
 openmc/bounding_box.py          |  3 +-
 openmc/lib/mesh.py              | 30 ++++++++++++++++
 src/mesh.cpp                    | 60 +++++++++++++++++++++++++++++---
 src/particle.cpp                |  2 +-
 tests/unit_tests/test_lib.py    | 21 ++++++++++++
 11 files changed, 223 insertions(+), 60 deletions(-)
 create mode 100644 include/openmc/bounding_box.h

diff --git a/cmake/Modules/FindLIBMESH.cmake b/cmake/Modules/FindLIBMESH.cmake
index df5b5b9d8..048dfc2a8 100644
--- a/cmake/Modules/FindLIBMESH.cmake
+++ b/cmake/Modules/FindLIBMESH.cmake
@@ -14,7 +14,7 @@ if(DEFINED ENV{METHOD})
   message(STATUS "Using environment variable METHOD to determine libMesh build: ${LIBMESH_PC_FILE}")
 endif()
 
-include(FindPkgConfig)
+find_package(PkgConfig REQUIRED)
 set(ENV{PKG_CONFIG_PATH} "$ENV{PKG_CONFIG_PATH}:${LIBMESH_PC}")
 set(PKG_CONFIG_USE_CMAKE_PREFIX_PATH True)
 pkg_check_modules(LIBMESH REQUIRED ${LIBMESH_PC_FILE}>=1.7.0 IMPORTED_TARGET)
diff --git a/include/openmc/bounding_box.h b/include/openmc/bounding_box.h
new file mode 100644
index 000000000..40f603583
--- /dev/null
+++ b/include/openmc/bounding_box.h
@@ -0,0 +1,61 @@
+#ifndef OPENMC_BOUNDING_BOX_H
+#define OPENMC_BOUNDING_BOX_H
+
+#include <algorithm> // for min, max
+
+#include "openmc/constants.h"
+
+namespace openmc {
+
+//==============================================================================
+//! Coordinates for an axis-aligned cuboid that bounds a geometric object.
+//==============================================================================
+
+struct BoundingBox {
+  double xmin = -INFTY;
+  double xmax = INFTY;
+  double ymin = -INFTY;
+  double ymax = INFTY;
+  double zmin = -INFTY;
+  double zmax = INFTY;
+
+  inline BoundingBox operator&(const BoundingBox& other)
+  {
+    BoundingBox result = *this;
+    return result &= other;
+  }
+
+  inline BoundingBox operator|(const BoundingBox& other)
+  {
+    BoundingBox result = *this;
+    return result |= other;
+  }
+
+  // intersect operator
+  inline BoundingBox& operator&=(const BoundingBox& other)
+  {
+    xmin = std::max(xmin, other.xmin);
+    xmax = std::min(xmax, other.xmax);
+    ymin = std::max(ymin, other.ymin);
+    ymax = std::min(ymax, other.ymax);
+    zmin = std::max(zmin, other.zmin);
+    zmax = std::min(zmax, other.zmax);
+    return *this;
+  }
+
+  // union operator
+  inline BoundingBox& operator|=(const BoundingBox& other)
+  {
+    xmin = std::min(xmin, other.xmin);
+    xmax = std::max(xmax, other.xmax);
+    ymin = std::min(ymin, other.ymin);
+    ymax = std::max(ymax, other.ymax);
+    zmin = std::min(zmin, other.zmin);
+    zmax = std::max(zmax, other.zmax);
+    return *this;
+  }
+};
+
+} // namespace openmc
+
+#endif
diff --git a/include/openmc/cell.h b/include/openmc/cell.h
index d78614f05..70843140b 100644
--- a/include/openmc/cell.h
+++ b/include/openmc/cell.h
@@ -12,6 +12,7 @@
 #include "pugixml.hpp"
 #include <gsl/gsl-lite.hpp>
 
+#include "openmc/bounding_box.h"
 #include "openmc/constants.h"
 #include "openmc/memory.h" // for unique_ptr
 #include "openmc/neighbor_list.h"
diff --git a/include/openmc/mesh.h b/include/openmc/mesh.h
index 3917e6368..6f3f2b0a4 100644
--- a/include/openmc/mesh.h
+++ b/include/openmc/mesh.h
@@ -11,6 +11,7 @@
 #include "xtensor/xtensor.hpp"
 #include <gsl/gsl-lite.hpp>
 
+#include "openmc/bounding_box.h"
 #include "openmc/error.h"
 #include "openmc/memory.h" // for unique_ptr
 #include "openmc/particle.h"
@@ -185,9 +186,24 @@ public:
   vector<MaterialVolume> material_volumes(
     int n_sample, int bin, uint64_t* seed) const;
 
+  //! Determine bounding box of mesh
+  //
+  //! \return Bounding box of mesh
+  BoundingBox bounding_box() const
+  {
+    auto ll = this->lower_left();
+    auto ur = this->upper_right();
+    return {ll.x, ur.x, ll.y, ur.y, ll.z, ur.z};
+  }
+
+  virtual Position lower_left() const = 0;
+  virtual Position upper_right() const = 0;
+
   // Data members
-  int id_ {-1};          //!< User-specified ID
-  int n_dimension_ {-1}; //!< Number of dimensions
+  xt::xtensor<double, 1> lower_left_;  //!< Lower-left coordinates of mesh
+  xt::xtensor<double, 1> upper_right_; //!< Upper-right coordinates of mesh
+  int id_ {-1};                        //!< User-specified ID
+  int n_dimension_ {-1};               //!< Number of dimensions
 };
 
 class StructuredMesh : public Mesh {
@@ -325,14 +341,30 @@ public:
     return this->volume(get_indices_from_bin(bin));
   }
 
+  Position lower_left() const override
+  {
+    int n = lower_left_.size();
+    Position ll {lower_left_[0], 0.0, 0.0};
+    ll.y = (n >= 2) ? lower_left_[1] : -INFTY;
+    ll.z = (n == 3) ? lower_left_[2] : -INFTY;
+    return ll;
+  };
+
+  Position upper_right() const override
+  {
+    int n = upper_right_.size();
+    Position ur {upper_right_[0], 0.0, 0.0};
+    ur.y = (n >= 2) ? upper_right_[1] : INFTY;
+    ur.z = (n == 3) ? upper_right_[2] : INFTY;
+    return ur;
+  };
+
   //! Get the volume of a specified element
   //! \param[in] ijk Mesh index to return the volume for
   //! \return Volume of the bin
   virtual double volume(const MeshIndex& ijk) const = 0;
 
   // Data members
-  xt::xtensor<double, 1> lower_left_;  //!< Lower-left coordinates of mesh
-  xt::xtensor<double, 1> upper_right_; //!< Upper-right coordinates of mesh
   std::array<int, 3> shape_; //!< Number of mesh elements in each dimension
 
 protected:
@@ -655,6 +687,15 @@ public:
 
   ElementType element_type(int bin) const;
 
+  Position lower_left() const override
+  {
+    return {lower_left_[0], lower_left_[1], lower_left_[2]};
+  }
+  Position upper_right() const override
+  {
+    return {upper_right_[0], upper_right_[1], upper_right_[2]};
+  }
+
 protected:
   //! Set the length multiplier to apply to each point in the mesh
   void set_length_multiplier(const double length_multiplier);
@@ -672,6 +713,9 @@ protected:
     -1.0};              //!< Multiplicative factor applied to mesh coordinates
   std::string options_; //!< Options for search data structures
 
+  //! Determine lower-left and upper-right bounds of mesh
+  void determine_bounds();
+
 private:
   //! Setup method for the mesh. Builds data structures,
   //! sets up element mapping, creates bounding boxes, etc.
diff --git a/include/openmc/surface.h b/include/openmc/surface.h
index 350775123..af235301c 100644
--- a/include/openmc/surface.h
+++ b/include/openmc/surface.h
@@ -9,6 +9,7 @@
 #include "pugixml.hpp"
 
 #include "openmc/boundary_condition.h"
+#include "openmc/bounding_box.h"
 #include "openmc/constants.h"
 #include "openmc/memory.h" // for unique_ptr
 #include "openmc/particle.h"
@@ -28,55 +29,6 @@ extern std::unordered_map<int, int> surface_map;
 extern vector<unique_ptr<Surface>> surfaces;
 } // namespace model
 
-//==============================================================================
-//! Coordinates for an axis-aligned cuboid that bounds a geometric object.
-//==============================================================================
-
-struct BoundingBox {
-  double xmin = -INFTY;
-  double xmax = INFTY;
-  double ymin = -INFTY;
-  double ymax = INFTY;
-  double zmin = -INFTY;
-  double zmax = INFTY;
-
-  inline BoundingBox operator&(const BoundingBox& other)
-  {
-    BoundingBox result = *this;
-    return result &= other;
-  }
-
-  inline BoundingBox operator|(const BoundingBox& other)
-  {
-    BoundingBox result = *this;
-    return result |= other;
-  }
-
-  // intersect operator
-  inline BoundingBox& operator&=(const BoundingBox& other)
-  {
-    xmin = std::max(xmin, other.xmin);
-    xmax = std::min(xmax, other.xmax);
-    ymin = std::max(ymin, other.ymin);
-    ymax = std::min(ymax, other.ymax);
-    zmin = std::max(zmin, other.zmin);
-    zmax = std::min(zmax, other.zmax);
-    return *this;
-  }
-
-  // union operator
-  inline BoundingBox& operator|=(const BoundingBox& other)
-  {
-    xmin = std::min(xmin, other.xmin);
-    xmax = std::max(xmax, other.xmax);
-    ymin = std::min(ymin, other.ymin);
-    ymax = std::max(ymax, other.ymax);
-    zmin = std::min(zmin, other.zmin);
-    zmax = std::max(zmax, other.zmax);
-    return *this;
-  }
-};
-
 //==============================================================================
 //! A geometry primitive used to define regions of 3D space.
 //==============================================================================
diff --git a/include/openmc/universe.h b/include/openmc/universe.h
index 26f33cb38..9fea06bcc 100644
--- a/include/openmc/universe.h
+++ b/include/openmc/universe.h
@@ -1,6 +1,7 @@
 #ifndef OPENMC_UNIVERSE_H
 #define OPENMC_UNIVERSE_H
 
+#include "openmc/bounding_box.h"
 #include "openmc/cell.h"
 
 namespace openmc {
diff --git a/openmc/bounding_box.py b/openmc/bounding_box.py
index 5f3d3a6cf..f0dc06a4a 100644
--- a/openmc/bounding_box.py
+++ b/openmc/bounding_box.py
@@ -42,7 +42,8 @@ class BoundingBox:
 
     def __repr__(self) -> str:
         return "BoundingBox(lower_left={}, upper_right={})".format(
-            tuple(self.lower_left), tuple(self.upper_right))
+            tuple(float(x) for x in self.lower_left),
+            tuple(float(x) for x in self.upper_right))
 
     def __getitem__(self, key) -> np.ndarray:
         return self._bounds[key]
diff --git a/openmc/lib/mesh.py b/openmc/lib/mesh.py
index 78566d449..16bec0198 100644
--- a/openmc/lib/mesh.py
+++ b/openmc/lib/mesh.py
@@ -2,6 +2,7 @@ from collections.abc import Mapping, Sequence
 from ctypes import (c_int, c_int32, c_char_p, c_double, POINTER, Structure,
                     create_string_buffer, c_uint64, c_size_t)
 from random import getrandbits
+import sys
 from weakref import WeakValueDictionary
 
 import numpy as np
@@ -13,6 +14,7 @@ from .core import _FortranObjectWithID
 from .error import _error_handler
 from .material import Material
 from .plot import _Position
+from ..bounding_box import BoundingBox
 
 __all__ = [
     'Mesh', 'RegularMesh', 'RectilinearMesh', 'CylindricalMesh',
@@ -44,6 +46,10 @@ _dll.openmc_mesh_get_n_elements.errcheck = _error_handler
 _dll.openmc_mesh_get_volumes.argtypes = [c_int32, POINTER(c_double)]
 _dll.openmc_mesh_get_volumes.restype = c_int
 _dll.openmc_mesh_get_volumes.errcheck = _error_handler
+_dll.openmc_mesh_bounding_box.argtypes = [
+    c_int32, POINTER(c_double), POINTER(c_double)]
+_dll.openmc_mesh_bounding_box.restype = c_int
+_dll.openmc_mesh_bounding_box.errcheck = _error_handler
 _dll.openmc_mesh_material_volumes.argtypes = [
     c_int32, c_int, c_int, c_int, POINTER(_MaterialVolume),
     POINTER(c_int), POINTER(c_uint64)]
@@ -166,6 +172,22 @@ class Mesh(_FortranObjectWithID):
             self._index, volumes.ctypes.data_as(POINTER(c_double)))
         return volumes
 
+    @property
+    def bounding_box(self) -> BoundingBox:
+        inf = sys.float_info.max
+        ll = np.zeros(3)
+        ur = np.zeros(3)
+        _dll.openmc_mesh_bounding_box(
+            self._index,
+            ll.ctypes.data_as(POINTER(c_double)),
+            ur.ctypes.data_as(POINTER(c_double))
+        )
+        ll[ll == inf] = np.inf
+        ur[ur == inf] = np.inf
+        ll[ll == -inf] = -np.inf
+        ur[ur == -inf] = -np.inf
+        return BoundingBox(ll, ur)
+
     def material_volumes(
             self,
             n_samples: int = 10_000,
@@ -292,6 +314,8 @@ class RegularMesh(Mesh):
         Total number of mesh elements.
     volumes : numpy.ndarray
         Volume of each mesh element in [cm^3]
+    bounding_box : openmc.BoundingBox
+        Axis-aligned bounding box of the mesh
 
     """
     mesh_type = 'regular'
@@ -378,6 +402,8 @@ class RectilinearMesh(Mesh):
         Total number of mesh elements.
     volumes : numpy.ndarray
         Volume of each mesh element in [cm^3]
+    bounding_box : openmc.BoundingBox
+        Axis-aligned bounding box of the mesh
 
     """
     mesh_type = 'rectilinear'
@@ -481,6 +507,8 @@ class CylindricalMesh(Mesh):
         Total number of mesh elements.
     volumes : numpy.ndarray
         Volume of each mesh element in [cm^3]
+    bounding_box : openmc.BoundingBox
+        Axis-aligned bounding box of the mesh
 
     """
     mesh_type = 'cylindrical'
@@ -584,6 +612,8 @@ class SphericalMesh(Mesh):
         Total number of mesh elements.
     volumes : numpy.ndarray
         Volume of each mesh element in [cm^3]
+    bounding_box : openmc.BoundingBox
+        Axis-aligned bounding box of the mesh
 
     """
     mesh_type = 'spherical'
diff --git a/src/mesh.cpp b/src/mesh.cpp
index c57dd5dcc..0f8b4b14e 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -319,6 +319,28 @@ UnstructuredMesh::UnstructuredMesh(pugi::xml_node node) : Mesh(node)
   }
 }
 
+void UnstructuredMesh::determine_bounds()
+{
+  double xmin = INFTY;
+  double ymin = INFTY;
+  double zmin = INFTY;
+  double xmax = -INFTY;
+  double ymax = -INFTY;
+  double zmax = -INFTY;
+  int n = this->n_vertices();
+  for (int i = 0; i < n; ++i) {
+    auto v = this->vertex(i);
+    xmin = std::min(v.x, xmin);
+    ymin = std::min(v.y, ymin);
+    zmin = std::min(v.z, zmin);
+    xmax = std::max(v.x, xmax);
+    ymax = std::max(v.y, ymax);
+    zmax = std::max(v.z, zmax);
+  }
+  lower_left_ = {xmin, ymin, zmin};
+  upper_right_ = {xmax, ymax, zmax};
+}
+
 Position UnstructuredMesh::sample_tet(
   std::array<Position, 4> coords, uint64_t* seed) const
 {
@@ -1372,8 +1394,10 @@ int CylindricalMesh::set_grid()
 
   full_phi_ = (grid_[1].front() == 0.0) && (grid_[1].back() == 2.0 * PI);
 
-  lower_left_ = {grid_[0].front(), grid_[1].front(), grid_[2].front()};
-  upper_right_ = {grid_[0].back(), grid_[1].back(), grid_[2].back()};
+  lower_left_ = {origin_[0] - grid_[0].back(), origin_[1] - grid_[0].back(),
+    origin_[2] + grid_[2].front()};
+  upper_right_ = {origin_[0] + grid_[0].back(), origin_[1] + grid_[0].back(),
+    origin_[2] + grid_[2].back()};
 
   return 0;
 }
@@ -1687,8 +1711,9 @@ int SphericalMesh::set_grid()
   full_theta_ = (grid_[1].front() == 0.0) && (grid_[1].back() == PI);
   full_phi_ = (grid_[2].front() == 0.0) && (grid_[2].back() == 2 * PI);
 
-  lower_left_ = {grid_[0].front(), grid_[1].front(), grid_[2].front()};
-  upper_right_ = {grid_[0].back(), grid_[1].back(), grid_[2].back()};
+  double r = grid_[0].back();
+  lower_left_ = {origin_[0] - r, origin_[1] - r, origin_[2] - r};
+  upper_right_ = {origin_[0] + r, origin_[1] + r, origin_[2] + r};
 
   return 0;
 }
@@ -1899,6 +1924,26 @@ extern "C" int openmc_mesh_get_volumes(int32_t index, double* volumes)
   return 0;
 }
 
+//! Get the bounding box of a mesh
+extern "C" int openmc_mesh_bounding_box(int32_t index, double* ll, double* ur)
+{
+  if (int err = check_mesh(index))
+    return err;
+
+  BoundingBox bbox = model::meshes[index]->bounding_box();
+
+  // set lower left corner values
+  ll[0] = bbox.xmin;
+  ll[1] = bbox.ymin;
+  ll[2] = bbox.zmin;
+
+  // set upper right corner values
+  ur[0] = bbox.xmax;
+  ur[1] = bbox.ymax;
+  ur[2] = bbox.zmax;
+  return 0;
+}
+
 extern "C" int openmc_mesh_material_volumes(int32_t index, int n_sample,
   int bin, int result_size, void* result, int* hits, uint64_t* seed)
 {
@@ -2265,6 +2310,9 @@ void MOABMesh::initialize()
       }
     }
   }
+
+  // Determine bounds of mesh
+  this->determine_bounds();
 }
 
 void MOABMesh::prepare_for_tallies()
@@ -2952,6 +3000,10 @@ void LibMesh::initialize()
 
   // bounding box for the mesh for quick rejection checks
   bbox_ = libMesh::MeshTools::create_bounding_box(*m_);
+  libMesh::Point ll = bbox_.min();
+  libMesh::Point ur = bbox_.max();
+  lower_left_ = {ll(0), ll(1), ll(2)};
+  upper_right_ = {ur(0), ur(1), ur(2)};
 }
 
 // Sample position within a tet for LibMesh type tets
diff --git a/src/particle.cpp b/src/particle.cpp
index 7d30e26bd..64c50c943 100644
--- a/src/particle.cpp
+++ b/src/particle.cpp
@@ -296,7 +296,7 @@ void Particle::event_cross_surface()
     if (surf->surf_source_ && surf->bc_) {
       add_surf_source_to_bank(*this, *surf);
     }
-    cross_surface(*surf);
+    this->cross_surface(*surf);
     // If no BC, add particle to surface source after crossing surface
     if (surf->surf_source_ && !surf->bc_) {
       add_surf_source_to_bank(*this, *surf);
diff --git a/tests/unit_tests/test_lib.py b/tests/unit_tests/test_lib.py
index e3c7ce3b7..64c16c238 100644
--- a/tests/unit_tests/test_lib.py
+++ b/tests/unit_tests/test_lib.py
@@ -570,6 +570,12 @@ def test_regular_mesh(lib_init):
 
     np.testing.assert_allclose(mesh.volumes, 1.0)
 
+    # bounding box
+    mesh.set_parameters(lower_left=ll, upper_right=ur)
+    bbox = mesh.bounding_box
+    np.testing.assert_allclose(bbox.lower_left, ll)
+    np.testing.assert_allclose(bbox.upper_right, ur)
+
     meshes = openmc.lib.meshes
     assert isinstance(meshes, Mapping)
     assert len(meshes) == 1
@@ -650,6 +656,11 @@ def test_rectilinear_mesh(lib_init):
 
     np.testing.assert_allclose(mesh.volumes, 1000.0)
 
+    # bounding box
+    bbox = mesh.bounding_box
+    np.testing.assert_allclose(bbox.lower_left, (-10., 0., 10.))
+    np.testing.assert_allclose(bbox.upper_right, (10., 20., 30.))
+
     with pytest.raises(exc.AllocationError):
         mesh2 = openmc.lib.RectilinearMesh(mesh.id)
 
@@ -697,6 +708,11 @@ def test_cylindrical_mesh(lib_init):
     np.testing.assert_allclose(mesh.volumes[::2], 10/360 * pi * 5**2 * 10)
     np.testing.assert_allclose(mesh.volumes[1::2], 10/360 * pi * (10**2 - 5**2) * 10)
 
+    # bounding box
+    bbox = mesh.bounding_box
+    np.testing.assert_allclose(bbox.lower_left, (-10., -10., 10.))
+    np.testing.assert_allclose(bbox.upper_right, (10., 10., 30.))
+
     with pytest.raises(exc.AllocationError):
         mesh2 = openmc.lib.CylindricalMesh(mesh.id)
 
@@ -750,6 +766,11 @@ def test_spherical_mesh(lib_init):
     np.testing.assert_allclose(mesh.volumes[2::4], f * 5**3 * dtheta(10., 20.))
     np.testing.assert_allclose(mesh.volumes[3::4], f * (10**3 - 5**3) * dtheta(10., 20.))
 
+    # bounding box
+    bbox = mesh.bounding_box
+    np.testing.assert_allclose(bbox.lower_left, (-10., -10., -10.))
+    np.testing.assert_allclose(bbox.upper_right, (10., 10., 10.))
+
     with pytest.raises(exc.AllocationError):
         mesh2 = openmc.lib.SphericalMesh(mesh.id)
 

From 86fc40a6456e789676eec3410afff38e340ea8f8 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Mon, 19 Aug 2024 10:07:28 -0500
Subject: [PATCH 2148/2654] Add OrthogonalBox composite surface (#3118)

---
 docs/source/pythonapi/model.rst            |  1 +
 openmc/model/surface_composite.py          | 80 ++++++++++++++++++++++
 openmc/surface.py                          | 13 +++-
 tests/unit_tests/test_surface_composite.py | 54 +++++++++++++++
 4 files changed, 145 insertions(+), 3 deletions(-)

diff --git a/docs/source/pythonapi/model.rst b/docs/source/pythonapi/model.rst
index 99459f64d..21944018e 100644
--- a/docs/source/pythonapi/model.rst
+++ b/docs/source/pythonapi/model.rst
@@ -26,6 +26,7 @@ Composite Surfaces
    openmc.model.CylinderSector
    openmc.model.HexagonalPrism
    openmc.model.IsogonalOctagon
+   openmc.model.OrthogonalBox
    openmc.model.Polygon
    openmc.model.RectangularParallelepiped
    openmc.model.RectangularPrism
diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index 29411fe46..a2cb02438 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -645,6 +645,86 @@ class RectangularParallelepiped(CompositeSurface):
         return +self.xmax | -self.xmin | +self.ymax | -self.ymin | +self.zmax | -self.zmin
 
 
+class OrthogonalBox(CompositeSurface):
+    """Arbitrarily oriented orthogonal box
+
+    This composite surface is composed of four or six planar surfaces that form
+    an arbitrarily oriented orthogonal box when combined.
+
+    Parameters
+    ----------
+    v : iterable of float
+        (x,y,z) coordinates of a corner of the box
+    a1 : iterable of float
+        Vector of first side starting from ``v``
+    a2 : iterable of float
+        Vector of second side starting from ``v``
+    a3 : iterable of float, optional
+        Vector of third side starting from ``v``. When not specified, it is
+        assumed that the box will be infinite along the vector normal to the
+        plane specified by ``a1`` and ``a2``.
+    **kwargs
+        Keyword arguments passed to underlying plane classes
+
+    Attributes
+    ----------
+    ax1_min, ax1_max : openmc.Plane
+        Planes representing minimum and maximum along first axis
+    ax2_min, ax2_max : openmc.Plane
+        Planes representing minimum and maximum along second axis
+    ax3_min, ax3_max : openmc.Plane
+        Planes representing minimum and maximum along third axis
+
+    """
+    _surface_names = ('ax1_min', 'ax1_max', 'ax2_min', 'ax2_max', 'ax3_min', 'ax3_max')
+
+    def __init__(self, v, a1, a2, a3=None, **kwargs):
+        v = np.array(v)
+        a1 = np.array(a1)
+        a2 = np.array(a2)
+        if has_a3 := a3 is not None:
+            a3 = np.array(a3)
+        else:
+            a3 = np.cross(a1, a2)  # normal to plane specified by a1 and a2
+
+        # Generate corners of box
+        p1 = v
+        p2 = v + a1
+        p3 = v + a2
+        p4 = v + a3
+        p5 = v + a1 + a2
+        p6 = v + a2 + a3
+        p7 = v + a1 + a3
+
+        # Generate 6 planes of box
+        self.ax1_min = openmc.Plane.from_points(p1, p3, p4, **kwargs)
+        self.ax1_max = openmc.Plane.from_points(p2, p5, p7, **kwargs)
+        self.ax2_min = openmc.Plane.from_points(p1, p4, p2, **kwargs)
+        self.ax2_max = openmc.Plane.from_points(p3, p6, p5, **kwargs)
+        if has_a3:
+            self.ax3_min = openmc.Plane.from_points(p1, p2, p3, **kwargs)
+            self.ax3_max = openmc.Plane.from_points(p4, p7, p6, **kwargs)
+
+        # Make sure a point inside the box produces the correct senses. If not,
+        # flip the plane coefficients so it does.
+        mid_point = v + (a1 + a2 + a3)/2
+        nums = (1, 2, 3) if has_a3 else (1, 2)
+        for num in nums:
+            min_surf = getattr(self, f'ax{num}_min')
+            max_surf = getattr(self, f'ax{num}_max')
+            if mid_point in -min_surf:
+                min_surf.flip_normal()
+            if mid_point in +max_surf:
+                max_surf.flip_normal()
+
+    def __neg__(self):
+        region = (+self.ax1_min & -self.ax1_max &
+                  +self.ax2_min & -self.ax2_max)
+        if hasattr(self, 'ax3_min'):
+            region &= (+self.ax3_min & -self.ax3_max)
+        return region
+
+
 class XConeOneSided(CompositeSurface):
     """One-sided cone parallel the x-axis
 
diff --git a/openmc/surface.py b/openmc/surface.py
index 0fa2ae439..2f10750a8 100644
--- a/openmc/surface.py
+++ b/openmc/surface.py
@@ -802,6 +802,13 @@ class Plane(PlaneMixin, Surface):
         d = np.dot(n, p1)
         return cls(a=a, b=b, c=c, d=d, **kwargs)
 
+    def flip_normal(self):
+        """Modify plane coefficients to reverse the normal vector."""
+        self.a = -self.a
+        self.b = -self.b
+        self.c = -self.c
+        self.d = -self.d
+
 
 class XPlane(PlaneMixin, Surface):
     """A plane perpendicular to the x axis of the form :math:`x - x_0 = 0`
@@ -1762,7 +1769,7 @@ class Cone(QuadricMixin, Surface):
         z-coordinate of the apex in [cm]. Defaults to 0.
     r2 : float, optional
         Parameter related to the aperture [:math:`\\rm cm^2`].
-        It can be interpreted as the increase in the radius squared per cm along 
+        It can be interpreted as the increase in the radius squared per cm along
         the cone's axis of revolution.
     dx : float, optional
         x-component of the vector representing the axis of the cone.
@@ -1920,7 +1927,7 @@ class XCone(QuadricMixin, Surface):
         z-coordinate of the apex in [cm]. Defaults to 0.
     r2 : float, optional
         Parameter related to the aperture [:math:`\\rm cm^2`].
-        It can be interpreted as the increase in the radius squared per cm along 
+        It can be interpreted as the increase in the radius squared per cm along
         the cone's axis of revolution.
     boundary_type : {'transmission, 'vacuum', 'reflective', 'white'}, optional
         Boundary condition that defines the behavior for particles hitting the
@@ -2021,7 +2028,7 @@ class YCone(QuadricMixin, Surface):
         z-coordinate of the apex in [cm]. Defaults to 0.
     r2 : float, optional
         Parameter related to the aperture [:math:`\\rm cm^2`].
-        It can be interpreted as the increase in the radius squared per cm along 
+        It can be interpreted as the increase in the radius squared per cm along
         the cone's axis of revolution.
     boundary_type : {'transmission, 'vacuum', 'reflective', 'white'}, optional
         Boundary condition that defines the behavior for particles hitting the
diff --git a/tests/unit_tests/test_surface_composite.py b/tests/unit_tests/test_surface_composite.py
index 01c827223..d862ae6b0 100644
--- a/tests/unit_tests/test_surface_composite.py
+++ b/tests/unit_tests/test_surface_composite.py
@@ -498,3 +498,57 @@ def test_cruciform_prism(axis):
         openmc.model.CruciformPrism([1.0, 0.5, 2.0, 3.0])
     with pytest.raises(ValueError):
         openmc.model.CruciformPrism([3.0, 2.0, 0.5, 1.0])
+
+
+def test_box():
+    v = (-1.0, -1.0, -2.5)
+    a1 = (2.0, -1.0, 0.0)
+    a2 = (1.0, 2.0, 0.0)
+    a3 = (0.0, 0.0, 5.0)
+    s = openmc.model.OrthogonalBox(v, a1, a2, a3)
+    for num in (1, 2, 3):
+        assert isinstance(getattr(s, f'ax{num}_min'), openmc.Plane)
+        assert isinstance(getattr(s, f'ax{num}_max'), openmc.Plane)
+
+    # Make sure boundary condition propagates
+    s.boundary_type = 'reflective'
+    assert s.boundary_type == 'reflective'
+    for num in (1, 2, 3):
+        assert getattr(s, f'ax{num}_min').boundary_type == 'reflective'
+        assert getattr(s, f'ax{num}_max').boundary_type == 'reflective'
+
+    # Check bounding box
+    ll, ur = (+s).bounding_box
+    assert np.all(np.isinf(ll))
+    assert np.all(np.isinf(ur))
+    ll, ur = (-s).bounding_box
+    assert ll[2] == pytest.approx(-2.5)
+    assert ur[2] == pytest.approx(2.5)
+
+    # __contains__ on associated half-spaces
+    assert (0., 0., 0.) in -s
+    assert (-2., 0., 0.) not in -s
+    assert (0., 0.9, 0.) in -s
+    assert (0., 0., -3.) in +s
+    assert (0., 0., 3.) in +s
+
+    # translate method
+    s_t = s.translate((1., 1., 0.))
+    assert (-0.01, 0., 0.) in +s_t
+    assert (0.01, 0., 0.) in -s_t
+
+    # Make sure repr works
+    repr(s)
+
+    # Version with infinite 3rd dimension
+    s = openmc.model.OrthogonalBox(v, a1, a2)
+    assert not hasattr(s, 'ax3_min')
+    assert not hasattr(s, 'ax3_max')
+    ll, ur = (-s).bounding_box
+    assert np.all(np.isinf(ll))
+    assert np.all(np.isinf(ur))
+    assert (0., 0., 0.) in -s
+    assert (-2., 0., 0.) not in -s
+    assert (0., 0.9, 0.) in -s
+    assert (0., 0., -3.) not in +s
+    assert (0., 0., 3.) not in +s

From 5bc04b5d78b83684685ccf53564498493e2b6a93 Mon Sep 17 00:00:00 2001
From: John Tramm <john.tramm@gmail.com>
Date: Fri, 23 Aug 2024 11:56:26 -0500
Subject: [PATCH 2149/2654] Alternative Random Ray Volume Estimators (#3060)

Co-authored-by: Olek <45364492+yardasol@users.noreply.github.com>
---
 docs/source/methods/random_ray.rst            | 124 ++++++--
 docs/source/usersguide/random_ray.rst         |  58 ++++
 include/openmc/constants.h                    |   1 +
 .../openmc/random_ray/flat_source_domain.h    |  19 +-
 .../openmc/random_ray/linear_source_domain.h  |   9 +-
 include/openmc/random_ray/random_ray.h        |   2 +
 .../openmc/random_ray/random_ray_simulation.h |   1 +
 openmc/settings.py                            |  10 +
 src/random_ray/flat_source_domain.cpp         | 173 +++++++----
 src/random_ray/linear_source_domain.cpp       |  82 ++---
 src/random_ray/random_ray.cpp                 |  12 -
 src/random_ray/random_ray_simulation.cpp      |  18 +-
 src/settings.cpp                              |  14 +
 .../cell/results_true.dat                     |  12 +-
 .../material/results_true.dat                 |  12 +-
 .../universe/results_true.dat                 |  12 +-
 .../linear/inputs_true.dat                    |   4 +-
 .../linear/results_true.dat                   |  12 +-
 .../linear_xy/inputs_true.dat                 |   4 +-
 .../linear_xy/results_true.dat                |  12 +-
 .../random_ray_fixed_source_linear/test.py    |   4 +-
 .../False/results_true.dat                    |  12 +-
 .../True/results_true.dat                     |  12 +-
 .../flat/results_true.dat                     | 168 +++++------
 .../linear_xy/results_true.dat                | 168 +++++------
 .../random_ray_k_eff/results_true.dat         | 124 ++++----
 .../random_ray_linear/linear/inputs_true.dat  |   4 +-
 .../random_ray_linear/linear/results_true.dat | 282 +++++++++---------
 .../linear_xy/inputs_true.dat                 |   4 +-
 .../linear_xy/results_true.dat                | 282 +++++++++---------
 .../random_ray_linear/test.py                 |   4 +-
 .../random_ray_volume_estimator/__init__.py   |   0
 .../hybrid/inputs_true.dat                    | 245 +++++++++++++++
 .../hybrid/results_true.dat                   |   9 +
 .../naive/inputs_true.dat                     | 245 +++++++++++++++
 .../naive/results_true.dat                    |   9 +
 .../simulation_averaged/inputs_true.dat       | 245 +++++++++++++++
 .../simulation_averaged/results_true.dat      |   9 +
 .../random_ray_volume_estimator/test.py       |  30 ++
 .../__init__.py                               |   0
 .../hybrid/inputs_true.dat                    | 246 +++++++++++++++
 .../hybrid/results_true.dat                   |   9 +
 .../naive/inputs_true.dat                     | 246 +++++++++++++++
 .../naive/results_true.dat                    |   9 +
 .../simulation_averaged/inputs_true.dat       | 246 +++++++++++++++
 .../simulation_averaged/results_true.dat      |   9 +
 .../test.py                                   |  32 ++
 47 files changed, 2517 insertions(+), 727 deletions(-)
 create mode 100644 tests/regression_tests/random_ray_volume_estimator/__init__.py
 create mode 100644 tests/regression_tests/random_ray_volume_estimator/hybrid/inputs_true.dat
 create mode 100644 tests/regression_tests/random_ray_volume_estimator/hybrid/results_true.dat
 create mode 100644 tests/regression_tests/random_ray_volume_estimator/naive/inputs_true.dat
 create mode 100644 tests/regression_tests/random_ray_volume_estimator/naive/results_true.dat
 create mode 100644 tests/regression_tests/random_ray_volume_estimator/simulation_averaged/inputs_true.dat
 create mode 100644 tests/regression_tests/random_ray_volume_estimator/simulation_averaged/results_true.dat
 create mode 100644 tests/regression_tests/random_ray_volume_estimator/test.py
 create mode 100644 tests/regression_tests/random_ray_volume_estimator_linear/__init__.py
 create mode 100644 tests/regression_tests/random_ray_volume_estimator_linear/hybrid/inputs_true.dat
 create mode 100644 tests/regression_tests/random_ray_volume_estimator_linear/hybrid/results_true.dat
 create mode 100644 tests/regression_tests/random_ray_volume_estimator_linear/naive/inputs_true.dat
 create mode 100644 tests/regression_tests/random_ray_volume_estimator_linear/naive/results_true.dat
 create mode 100644 tests/regression_tests/random_ray_volume_estimator_linear/simulation_averaged/inputs_true.dat
 create mode 100644 tests/regression_tests/random_ray_volume_estimator_linear/simulation_averaged/results_true.dat
 create mode 100644 tests/regression_tests/random_ray_volume_estimator_linear/test.py

diff --git a/docs/source/methods/random_ray.rst b/docs/source/methods/random_ray.rst
index 9f8eb84d8..3d98747e4 100644
--- a/docs/source/methods/random_ray.rst
+++ b/docs/source/methods/random_ray.rst
@@ -411,7 +411,7 @@ which when partially simplified becomes:
 
 Note that there are now four (seemingly identical) volume terms in this equation.
 
-.. _methods-volume-dilemma:
+.. _methods_random_ray_vol:
 
 ~~~~~~~~~~~~~~
 Volume Dilemma
@@ -440,9 +440,11 @@ features stochastic variables (the sums over random ray lengths and angular
 fluxes) in both the numerator and denominator, making it a stochastic ratio
 estimator, which is inherently biased. In practice, usage of the naive estimator
 does result in a biased, but "consistent"  estimator (i.e., it is biased, but
-the bias tends towards zero as the sample size increases). Experimentally, the
-right answer can be obtained with this estimator, though a very fine ray density
-is required to eliminate the bias.
+the bias tends towards zero as the sample size increases). Empirically, this
+bias tends to effect eigenvalue calculations much more significantly than in
+fixed source simulations. Experimentally, the right answer can be obtained with
+this estimator, though for eigenvalue simulations a very fine ray density is
+required to eliminate the bias.
 
 How might we solve the biased ratio estimator problem? While there is no obvious
 way to alter the numerator term (which arises from the characteristic
@@ -463,17 +465,17 @@ replace the actual tracklength that was accumulated inside that FSR each
 iteration with the expected value.
 
 If we know the analytical volumes, then those can be used to directly compute
-the expected value of the tracklength in each cell. However, as the analytical
-volumes are not typically known in OpenMC due to the usage of user-defined
-constructive solid geometry, we need to source this quantity from elsewhere. An
-obvious choice is to simply accumulate the total tracklength through each FSR
-across all iterations (batches) and to use that sum to compute the expected
-average length per iteration, as:
+the expected value of the tracklength in each cell, :math:`L_{avg}`. However, as
+the analytical volumes are not typically known in OpenMC due to the usage of
+user-defined constructive solid geometry, we need to source this quantity from
+elsewhere. An obvious choice is to simply accumulate the total tracklength
+through each FSR across all iterations (batches) and to use that sum to compute
+the expected average length per iteration, as:
 
 .. math::
-    :label: sim_estimator
+    :label: L_avg
 
-       \sum\limits^{}_{i} \ell_i \approx \frac{\sum\limits^{B}_{b}\sum\limits^{N_i}_{r} \ell_{b,r} }{B}
+    \sum\limits^{}_{i} \ell_i \approx L_{avg} = \frac{\sum\limits^{B}_{b}\sum\limits^{N_i}_{r=1} \ell_{b,r} }{B}
 
 where :math:`b` is a single batch in :math:`B` total batches simulated so far.
 
@@ -486,7 +488,7 @@ averaged" estimator is therefore:
 .. math::
     :label: phi_sim
 
-    \phi_{i,g}^{simulation} = \frac{Q_{i,g} }{\Sigma_{t,i,g}} + \frac{\sum\limits_{r=1}^{N_i} \Delta \psi_{r,g}}{\Sigma_{t,i,g} \frac{\sum\limits^{B}_{b}\sum\limits^{N_i}_{r} \ell_{b,r} }{B}}
+    \phi_{i,g}^{simulation} = \frac{Q_{i,g} }{\Sigma_{t,i,g}} + \frac{\sum\limits_{r=1}^{N_i} \Delta \psi_{r,g}}{\Sigma_{t,i,g} L_{avg}}
 
 In practical terms, the "simulation averaged" estimator is virtually
 indistinguishable numerically from use of the true analytical volume to estimate
@@ -500,17 +502,81 @@ in which case the denominator served as a normalization term for the numerator
 integral in Equation :eq:`integral`. Essentially, we have now used a different
 term for the volume in the numerator as compared to the normalizing volume in
 the denominator. The inevitable mismatch (due to noise) between these two
-quantities results in a significant increase in variance. Notably, the same
-problem occurs if using a tracklength estimate based on the analytical volume,
-as again the numerator integral and the normalizing denominator integral no
-longer match on a per-iteration basis.
+quantities results in a significant increase in variance, and can even result in
+the generation of negative fluxes. Notably, the same problem occurs if using a
+tracklength estimate based on the analytical volume, as again the numerator
+integral and the normalizing denominator integral no longer match on a
+per-iteration basis.
 
-In practice, the simulation averaged method does completely remove the bias,
-though at the cost of a notable increase in variance. Empirical testing reveals
-that on most problems, the simulation averaged estimator does win out overall in
-numerical performance, as a much coarser quadrature can be used resulting in
-faster runtimes overall. Thus, OpenMC uses the simulation averaged estimator in
-its random ray mode.
+In practice, the simulation averaged method does completely remove the bias seen
+when using the naive estimator, though at the cost of a notable increase in
+variance. Empirical testing reveals that on most eigenvalue problems, the
+simulation averaged estimator does win out overall in numerical performance, as
+a much coarser quadrature can be used resulting in faster runtimes overall.
+Thus, OpenMC uses the simulation averaged estimator as default in its random ray
+mode for eigenvalue solves.
+
+OpenMC also features a "hybrid" volume estimator that uses the naive estimator
+for all regions containing an external (fixed) source term. For all other
+source regions, the "simulation averaged" estimator is used. This typically achieves
+a best of both worlds result, with the benefits of the low bias simulation averaged
+estimator in most regions, while preventing instability and/or large biases in regions
+with external source terms via use of the naive estimator. In general, it is
+recommended to use the "hybrid" estimator, which is the default method used
+in OpenMC. If instability is encountered despite high ray densities, then
+the naive estimator may be preferable.
+
+A table that summarizes the pros and cons, as well as recommendations for
+different use cases, is given in the :ref:`volume
+estimators<usersguide_vol_estimators>` section of the user guide.
+
+~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+What Happens When a Source Region is Missed?
+~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+
+Given the stochastic nature of random ray, when low ray densities are used it is
+common for small source regions to occasionally not be hit by any rays in a
+particular power iteration :math:`n`. This naturally collapses the flux estimate
+in that cell for the iteration from Equation :eq:`phi_naive` to:
+
+.. math::
+    :label: phi_missed_one
+
+    \phi_{i,g,n}^{missed} = \frac{Q_{i,g,n} }{\Sigma_{t,i,g}} 
+
+as the streaming operator has gone to zero. While this is obviously innacurate
+as it ignores transport, for most problems where the region is only occasionally
+missed this estimator does not tend to introduce any significant bias.
+
+However, in cases where the total cross section in the region is very small
+(e.g., a void-like material) and where a strong external fixed source has been
+placed, then this treatment causes major issues. In this pathological case, the
+lack of transport forces the entirety of the fixed source to effectively be
+contained and collided within the cell, which for a low cross section region is
+highly unphysical. The net effect is that a very high estimate of the flux
+(often orders of magnitude higher than is expected) is generated that iteration,
+which cannot be washed out even with hundreds or thousands of iterations. Thus,
+huge biases are often seen in spatial tallies containing void-like regions with
+external sources unless a high enough ray density is used such that all source
+regions are always hit each iteration. This is particularly problematic as
+external sources placed in void-like regions are very common in many types of
+fixed source analysis.
+
+For regions where external sources are present, to eliminate this bias it is
+therefore preferable to simply use the previous iteration's estimate of the flux
+in that cell, as:
+
+.. math::
+    :label: phi_missed_two
+
+    \phi_{i,g,n}^{missed} = \phi_{i,g,n-1} .
+
+When linear sources are present, the flux moments from the previous iteration
+are used in the same manner. While this introduces some small degree of
+correlation to the simulation, for miss rates on the order of a few percent the
+correlations are trivial and the bias is eliminated. Thus, in OpenMC the
+previous iteration's scalar flux estimate is applied to cells that are missed
+where there is an external source term present within the cell.
 
 ~~~~~~~~~~~~~~~
 Power Iteration
@@ -563,15 +629,15 @@ total spatial- and energy-integrated fission rate :math:`F^{n-1}` in iteration
 
 Notably, the volume term :math:`V_i` appears in the eigenvalue update equation.
 The same logic applies to the treatment of this term as was discussed earlier.
-In OpenMC, we use the "simulation averaged" volume derived from summing over all
-ray tracklength contributions to a FSR over all iterations and dividing by the
-total integration tracklength to date. Thus, Equation :eq:`fission_source`
-becomes:
+In OpenMC, we use the "simulation averaged" volume (Equation :eq:`L_avg`)
+derived from summing over all ray tracklength contributions to a FSR over all
+iterations and dividing by the total integration tracklength to date. Thus,
+Equation :eq:`fission_source` becomes:
 
 .. math::
     :label: fission_source_volumed
 
-    F^n = \sum\limits^{M}_{i} \left( \frac{\sum\limits^{B}_{b}\sum\limits^{N_i}_{r} \ell_{b,r} }{B} \sum\limits^{G}_{g} \nu \Sigma_f(i, g) \phi^{n}(g) \right)
+    F^n = \sum\limits^{M}_{i} \left( L_{avg} \sum\limits^{G}_{g} \nu \Sigma_f(i, g) \phi^{n}(g) \right)
 
 and a similar substitution can be made to update Equation
 :eq:`fission_source_prev` . In OpenMC, the most up-to-date version of the volume
@@ -965,7 +1031,7 @@ The Shannon entropy is then computed normally as
 
 where :math:`N` is the number of FSRs. FSRs with no fission source (or,
 occassionally, negative fission source, :ref:`due to the volume estimator
-problem <methods-volume-dilemma>`) are skipped to avoid taking an undefined
+problem <methods_random_ray_vol>`) are skipped to avoid taking an undefined
 logarithm in :eq:`shannon-entropy-random-ray`.
 
 .. _usersguide_fixed_source_methods:
diff --git a/docs/source/usersguide/random_ray.rst b/docs/source/usersguide/random_ray.rst
index 117d5e23f..5ca0ab6be 100644
--- a/docs/source/usersguide/random_ray.rst
+++ b/docs/source/usersguide/random_ray.rst
@@ -535,6 +535,64 @@ points of 1.0e-2 and 1.0e1.
     # Add fixed source and ray sampling source to settings file
     settings.source = [neutron_source]
 
+.. _usersguide_vol_estimators:
+
+-----------------------------
+Alternative Volume Estimators
+-----------------------------
+
+As discussed in the random ray theory section on :ref:`volume estimators
+<methods_random_ray_vol>`, there are several possible derivations for the scalar
+flux estimate. These options deal with different ways of treating the
+accumulation over ray lengths crossing each FSR (a quantity directly
+proportional to volume), which can be computed using several methods. The
+following methods are currently available in OpenMC:
+
+.. list-table:: Comparison of Estimators
+   :header-rows: 1
+   :widths: 10 30 30 30
+
+   * - Estimator
+     - Description
+     - Pros
+     - Cons
+   * - ``simulation_averaged``
+     - Accumulates total active ray lengths in each FSR over all iterations,
+       improving the estimate of the volume in each cell each iteration. 
+     - * Virtually unbiased after several iterations
+       * Asymptotically approaches the true analytical volume
+       * Typically most efficient in terms of speed vs. accuracy
+     - * Higher variance
+       * Can lead to negative fluxes and numerical instability in pathological
+         cases
+   * - ``naive``
+     - Treats the volume as composed only of the active ray length through each
+       FSR per iteration, being a biased but numerically consistent ratio
+       estimator.
+     - * Low variance
+       * Unlikely to result in negative fluxes
+       * Recommended in cases where the simulation averaged estimator is
+         unstable
+     - * Biased estimator
+       * Requires more rays or longer active ray length to mitigate bias
+   * - ``hybrid`` (default)
+     - Applies the naive estimator to all cells that contain an external (fixed)
+       source contribution. Applies the simulation averaged estimator to all
+       other cells.
+     - * High accuracy/low bias of the simulation averaged estimator in most
+         cells
+       * Stability of the naive estimator in cells with fixed sources
+     - * Can lead to slightly negative fluxes in cells where the simulation
+         averaged estimator is used
+
+These estimators can be selected by setting the ``volume_estimator`` field in the
+:attr:`openmc.Settings.random_ray` dictionary. For example, to use the naive
+estimator, the following code would be used:
+
+::
+
+    settings.random_ray['volume_estimator'] = 'naive'
+
 ---------------------------------------
 Putting it All Together: Example Inputs
 ---------------------------------------
diff --git a/include/openmc/constants.h b/include/openmc/constants.h
index e502506c9..605ae1839 100644
--- a/include/openmc/constants.h
+++ b/include/openmc/constants.h
@@ -342,6 +342,7 @@ enum class RunMode {
 
 enum class SolverType { MONTE_CARLO, RANDOM_RAY };
 
+enum class RandomRayVolumeEstimator { NAIVE, SIMULATION_AVERAGED, HYBRID };
 enum class RandomRaySourceShape { FLAT, LINEAR, LINEAR_XY };
 
 //==============================================================================
diff --git a/include/openmc/random_ray/flat_source_domain.h b/include/openmc/random_ray/flat_source_domain.h
index 33c5661dc..5c50f7fb0 100644
--- a/include/openmc/random_ray/flat_source_domain.h
+++ b/include/openmc/random_ray/flat_source_domain.h
@@ -1,6 +1,7 @@
 #ifndef OPENMC_RANDOM_RAY_FLAT_SOURCE_DOMAIN_H
 #define OPENMC_RANDOM_RAY_FLAT_SOURCE_DOMAIN_H
 
+#include "openmc/constants.h"
 #include "openmc/openmp_interface.h"
 #include "openmc/position.h"
 #include "openmc/source.h"
@@ -99,7 +100,8 @@ public:
   double compute_k_eff(double k_eff_old) const;
   virtual void normalize_scalar_flux_and_volumes(
     double total_active_distance_per_iteration);
-  virtual int64_t add_source_to_scalar_flux();
+
+  int64_t add_source_to_scalar_flux();
   virtual void batch_reset();
   void convert_source_regions_to_tallies();
   void reset_tally_volumes();
@@ -117,6 +119,10 @@ public:
   // Static Data members
   static bool volume_normalized_flux_tallies_;
 
+  //----------------------------------------------------------------------------
+  // Static data members
+  static RandomRayVolumeEstimator volume_estimator_;
+
   //----------------------------------------------------------------------------
   // Public Data members
 
@@ -132,7 +138,6 @@ public:
 
   // 1D arrays representing values for all source regions
   vector<OpenMPMutex> lock_;
-  vector<int> was_hit_;
   vector<double> volume_;
   vector<double> volume_t_;
   vector<int> position_recorded_;
@@ -140,10 +145,11 @@ public:
 
   // 2D arrays stored in 1D representing values for all source regions x energy
   // groups
-  vector<float> scalar_flux_old_;
-  vector<float> scalar_flux_new_;
+  vector<double> scalar_flux_old_;
+  vector<double> scalar_flux_new_;
   vector<float> source_;
   vector<float> external_source_;
+  vector<bool> external_source_present_;
 
 protected:
   //----------------------------------------------------------------------------
@@ -155,6 +161,10 @@ protected:
     const vector<int32_t>& instances);
   void apply_external_source_to_cell_and_children(int32_t i_cell,
     Discrete* discrete, double strength_factor, int32_t target_material_id);
+  virtual void set_flux_to_flux_plus_source(
+    int64_t idx, double volume, int material, int g);
+  void set_flux_to_source(int64_t idx);
+  virtual void set_flux_to_old_flux(int64_t idx);
 
   //----------------------------------------------------------------------------
   // Private data members
@@ -178,6 +188,7 @@ protected:
 
   // 1D arrays representing values for all source regions
   vector<int> material_;
+  vector<double> volume_naive_;
 
   // 2D arrays stored in 1D representing values for all source regions x energy
   // groups
diff --git a/include/openmc/random_ray/linear_source_domain.h b/include/openmc/random_ray/linear_source_domain.h
index 5010ffddd..4812d1433 100644
--- a/include/openmc/random_ray/linear_source_domain.h
+++ b/include/openmc/random_ray/linear_source_domain.h
@@ -28,7 +28,7 @@ public:
   double compute_k_eff(double k_eff_old) const;
   void normalize_scalar_flux_and_volumes(
     double total_active_distance_per_iteration) override;
-  int64_t add_source_to_scalar_flux() override;
+
   void batch_reset() override;
   void convert_source_regions_to_tallies();
   void reset_tally_volumes();
@@ -54,6 +54,13 @@ public:
   vector<MomentMatrix> mom_matrix_;
   vector<MomentMatrix> mom_matrix_t_;
 
+protected:
+  //----------------------------------------------------------------------------
+  // Methods
+  void set_flux_to_flux_plus_source(
+    int64_t idx, double volume, int material, int g) override;
+  void set_flux_to_old_flux(int64_t idx) override;
+
 }; // class LinearSourceDomain
 
 } // namespace openmc
diff --git a/include/openmc/random_ray/random_ray.h b/include/openmc/random_ray/random_ray.h
index 913a9af4a..96c38da7b 100644
--- a/include/openmc/random_ray/random_ray.h
+++ b/include/openmc/random_ray/random_ray.h
@@ -43,6 +43,8 @@ public:
   // Public data members
   vector<float> angular_flux_;
 
+  bool ray_trace_only_ {false}; // If true, only perform geometry operations
+
 private:
   //----------------------------------------------------------------------------
   // Private data members
diff --git a/include/openmc/random_ray/random_ray_simulation.h b/include/openmc/random_ray/random_ray_simulation.h
index c1d47821d..55bac6905 100644
--- a/include/openmc/random_ray/random_ray_simulation.h
+++ b/include/openmc/random_ray/random_ray_simulation.h
@@ -19,6 +19,7 @@ public:
 
   //----------------------------------------------------------------------------
   // Methods
+  void compute_segment_correction_factors();
   void simulate();
   void reduce_simulation_statistics();
   void output_simulation_results() const;
diff --git a/openmc/settings.py b/openmc/settings.py
index ce97f138f..ddaac0401 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -155,6 +155,10 @@ class Settings:
         :ray_source:
             Starting ray distribution (must be uniform in space and angle) as
             specified by a :class:`openmc.SourceBase` object.
+        :volume_estimator:
+            Choice of volume estimator for the random ray solver. Options are
+            'naive', 'simulation_averaged', or 'hybrid'.
+            The default is 'hybrid'.
         :source_shape:
             Assumed shape of the source distribution within each source
             region. Options are 'flat' (default), 'linear', or 'linear_xy'.
@@ -1091,6 +1095,10 @@ class Settings:
                                       random_ray[key], 0.0, True)
             elif key == 'ray_source':
                 cv.check_type('random ray source', random_ray[key], SourceBase)
+            elif key == 'volume_estimator':
+                cv.check_value('volume estimator', random_ray[key],
+                               ('naive', 'simulation_averaged',
+                                'hybrid'))
             elif key == 'source_shape':
                 cv.check_value('source shape', random_ray[key],
                                ('flat', 'linear', 'linear_xy'))
@@ -1889,6 +1897,8 @@ class Settings:
                 elif child.tag == 'source':
                     source = SourceBase.from_xml_element(child)
                     self.random_ray['ray_source'] = source
+                elif child.tag == 'volume_estimator':
+                    self.random_ray['volume_estimator'] = child.text
                 elif child.tag == 'source_shape':
                     self.random_ray['source_shape'] = child.text
                 elif child.tag == 'volume_normalized_flux_tallies':
diff --git a/src/random_ray/flat_source_domain.cpp b/src/random_ray/flat_source_domain.cpp
index 584b3a7ed..62768b55f 100644
--- a/src/random_ray/flat_source_domain.cpp
+++ b/src/random_ray/flat_source_domain.cpp
@@ -24,6 +24,8 @@ namespace openmc {
 //==============================================================================
 
 // Static Variable Declarations
+RandomRayVolumeEstimator FlatSourceDomain::volume_estimator_ {
+  RandomRayVolumeEstimator::HYBRID};
 bool FlatSourceDomain::volume_normalized_flux_tallies_ {false};
 
 FlatSourceDomain::FlatSourceDomain() : negroups_(data::mg.num_energy_groups_)
@@ -49,13 +51,13 @@ FlatSourceDomain::FlatSourceDomain() : negroups_(data::mg.num_energy_groups_)
   position_.resize(n_source_regions_);
   volume_.assign(n_source_regions_, 0.0);
   volume_t_.assign(n_source_regions_, 0.0);
-  was_hit_.assign(n_source_regions_, 0);
+  volume_naive_.assign(n_source_regions_, 0.0);
 
   // Initialize element-wise arrays
   scalar_flux_new_.assign(n_source_elements_, 0.0);
   scalar_flux_final_.assign(n_source_elements_, 0.0);
   source_.resize(n_source_elements_);
-  external_source_.assign(n_source_elements_, 0.0);
+
   tally_task_.resize(n_source_elements_);
   volume_task_.resize(n_source_regions_);
 
@@ -64,7 +66,10 @@ FlatSourceDomain::FlatSourceDomain() : negroups_(data::mg.num_energy_groups_)
     scalar_flux_old_.assign(n_source_elements_, 1.0);
   } else {
     // If in fixed source mode, set starting flux to guess of zero
+    // and initialize external source arrays
     scalar_flux_old_.assign(n_source_elements_, 0.0);
+    external_source_.assign(n_source_elements_, 0.0);
+    external_source_present_.assign(n_source_regions_, false);
   }
 
   // Initialize material array
@@ -109,9 +114,8 @@ void FlatSourceDomain::batch_reset()
 {
   // Reset scalar fluxes, iteration volume tallies, and region hit flags to
   // zero
-  parallel_fill<float>(scalar_flux_new_, 0.0f);
+  parallel_fill<double>(scalar_flux_new_, 0.0);
   parallel_fill<double>(volume_, 0.0);
-  parallel_fill<int>(was_hit_, 0);
 }
 
 void FlatSourceDomain::accumulate_iteration_flux()
@@ -142,14 +146,14 @@ void FlatSourceDomain::update_neutron_source(double k_eff)
     int material = material_[sr];
 
     for (int e_out = 0; e_out < negroups_; e_out++) {
-      float sigma_t = data::mg.macro_xs_[material].get_xs(
+      double sigma_t = data::mg.macro_xs_[material].get_xs(
         MgxsType::TOTAL, e_out, nullptr, nullptr, nullptr, t, a);
-      float scatter_source = 0.0f;
+      double scatter_source = 0.0f;
 
       for (int e_in = 0; e_in < negroups_; e_in++) {
-        float scalar_flux = scalar_flux_old_[sr * negroups_ + e_in];
+        double scalar_flux = scalar_flux_old_[sr * negroups_ + e_in];
 
-        float sigma_s = data::mg.macro_xs_[material].get_xs(
+        double sigma_s = data::mg.macro_xs_[material].get_xs(
           MgxsType::NU_SCATTER, e_in, &e_out, nullptr, nullptr, t, a);
         scatter_source += sigma_s * scalar_flux;
       }
@@ -164,15 +168,15 @@ void FlatSourceDomain::update_neutron_source(double k_eff)
     int material = material_[sr];
 
     for (int e_out = 0; e_out < negroups_; e_out++) {
-      float sigma_t = data::mg.macro_xs_[material].get_xs(
+      double sigma_t = data::mg.macro_xs_[material].get_xs(
         MgxsType::TOTAL, e_out, nullptr, nullptr, nullptr, t, a);
-      float fission_source = 0.0f;
+      double fission_source = 0.0f;
 
       for (int e_in = 0; e_in < negroups_; e_in++) {
-        float scalar_flux = scalar_flux_old_[sr * negroups_ + e_in];
-        float nu_sigma_f = data::mg.macro_xs_[material].get_xs(
+        double scalar_flux = scalar_flux_old_[sr * negroups_ + e_in];
+        double nu_sigma_f = data::mg.macro_xs_[material].get_xs(
           MgxsType::NU_FISSION, e_in, nullptr, nullptr, nullptr, t, a);
-        float chi = data::mg.macro_xs_[material].get_xs(
+        double chi = data::mg.macro_xs_[material].get_xs(
           MgxsType::CHI_PROMPT, e_in, &e_out, nullptr, nullptr, t, a);
         fission_source += nu_sigma_f * scalar_flux * chi;
       }
@@ -196,7 +200,7 @@ void FlatSourceDomain::update_neutron_source(double k_eff)
 void FlatSourceDomain::normalize_scalar_flux_and_volumes(
   double total_active_distance_per_iteration)
 {
-  float normalization_factor = 1.0 / total_active_distance_per_iteration;
+  double normalization_factor = 1.0 / total_active_distance_per_iteration;
   double volume_normalization_factor =
     1.0 / (total_active_distance_per_iteration * simulation::current_batch);
 
@@ -211,58 +215,114 @@ void FlatSourceDomain::normalize_scalar_flux_and_volumes(
 #pragma omp parallel for
   for (int64_t sr = 0; sr < n_source_regions_; sr++) {
     volume_t_[sr] += volume_[sr];
+    volume_naive_[sr] = volume_[sr] * normalization_factor;
     volume_[sr] = volume_t_[sr] * volume_normalization_factor;
   }
 }
 
+void FlatSourceDomain::set_flux_to_flux_plus_source(
+  int64_t idx, double volume, int material, int g)
+{
+  // Temperature and angle indices, if using multiple temperature
+  // data sets and/or anisotropic data sets.
+  // TODO: Currently assumes we are only using single temp/single
+  // angle data.
+  const int t = 0;
+  const int a = 0;
+
+  double sigma_t = data::mg.macro_xs_[material].get_xs(
+    MgxsType::TOTAL, g, nullptr, nullptr, nullptr, t, a);
+
+  scalar_flux_new_[idx] /= (sigma_t * volume);
+  scalar_flux_new_[idx] += source_[idx];
+}
+
+void FlatSourceDomain::set_flux_to_old_flux(int64_t idx)
+{
+  scalar_flux_new_[idx] = scalar_flux_old_[idx];
+}
+
+void FlatSourceDomain::set_flux_to_source(int64_t idx)
+{
+  scalar_flux_new_[idx] = source_[idx];
+}
+
 // Combine transport flux contributions and flat source contributions from the
 // previous iteration to generate this iteration's estimate of scalar flux.
 int64_t FlatSourceDomain::add_source_to_scalar_flux()
 {
   int64_t n_hits = 0;
 
-  // Temperature and angle indices, if using multiple temperature
-  // data sets and/or anisotropic data sets.
-  // TODO: Currently assumes we are only using single temp/single
-  // angle data.
-  const int t = 0;
-  const int a = 0;
-
 #pragma omp parallel for reduction(+ : n_hits)
   for (int sr = 0; sr < n_source_regions_; sr++) {
 
-    // Check if this cell was hit this iteration
-    int was_cell_hit = was_hit_[sr];
-    if (was_cell_hit) {
+    double volume_simulation_avg = volume_[sr];
+    double volume_iteration = volume_naive_[sr];
+
+    // Increment the number of hits if cell was hit this iteration
+    if (volume_iteration) {
       n_hits++;
     }
 
-    double volume = volume_[sr];
+    // Check if an external source is present in this source region
+    bool external_source_present =
+      external_source_present_.size() && external_source_present_[sr];
+
+    // The volume treatment depends on the volume estimator type
+    // and whether or not an external source is present in the cell.
+    double volume;
+    switch (volume_estimator_) {
+    case RandomRayVolumeEstimator::NAIVE:
+      volume = volume_iteration;
+      break;
+    case RandomRayVolumeEstimator::SIMULATION_AVERAGED:
+      volume = volume_simulation_avg;
+      break;
+    case RandomRayVolumeEstimator::HYBRID:
+      if (external_source_present) {
+        volume = volume_iteration;
+      } else {
+        volume = volume_simulation_avg;
+      }
+      break;
+    default:
+      fatal_error("Invalid volume estimator type");
+    }
+
     int material = material_[sr];
     for (int g = 0; g < negroups_; g++) {
       int64_t idx = (sr * negroups_) + g;
 
       // There are three scenarios we need to consider:
-      if (was_cell_hit) {
+      if (volume_iteration > 0.0) {
         // 1. If the FSR was hit this iteration, then the new flux is equal to
         // the flat source from the previous iteration plus the contributions
         // from rays passing through the source region (computed during the
         // transport sweep)
-        float sigma_t = data::mg.macro_xs_[material].get_xs(
-          MgxsType::TOTAL, g, nullptr, nullptr, nullptr, t, a);
-        scalar_flux_new_[idx] /= (sigma_t * volume);
-        scalar_flux_new_[idx] += source_[idx];
-      } else if (volume > 0.0) {
+        set_flux_to_flux_plus_source(idx, volume, material, g);
+      } else if (volume_simulation_avg > 0.0) {
         // 2. If the FSR was not hit this iteration, but has been hit some
-        // previous iteration, then we simply set the new scalar flux to be
-        // equal to the contribution from the flat source alone.
-        scalar_flux_new_[idx] = source_[idx];
-      } else {
-        // If the FSR was not hit this iteration, and it has never been hit in
-        // any iteration (i.e., volume is zero), then we want to set this to 0
-        // to avoid dividing anything by a zero volume.
-        scalar_flux_new_[idx] = 0.0f;
+        // previous iteration, then we need to make a choice about what
+        // to do. Naively we will usually want to set the flux to be equal
+        // to the reduced source. However, in fixed source problems where
+        // there is a strong external source present in the cell, and where
+        // the cell has a very low cross section, this approximation will
+        // cause a huge upward bias in the flux estimate of the cell (in these
+        // conditions, the flux estimate can be orders of magnitude too large).
+        // Thus, to avoid this bias, if any external source is present
+        // in the cell we will use the previous iteration's flux estimate. This
+        // injects a small degree of correlation into the simulation, but this
+        // is going to be trivial when the miss rate is a few percent or less.
+        if (external_source_present) {
+          set_flux_to_old_flux(idx);
+        } else {
+          set_flux_to_source(idx);
+        }
       }
+      // If the FSR was not hit this iteration, and it has never been hit in
+      // any iteration (i.e., volume is zero), then we want to set this to 0
+      // to avoid dividing anything by a zero volume. This happens implicitly
+      // given that the new scalar flux arrays are set to zero each iteration.
     }
   }
 
@@ -482,7 +542,8 @@ void FlatSourceDomain::reset_tally_volumes()
 // reported scalar fluxes are in units per source neutron. This allows for
 // direct comparison of reported tallies to Monte Carlo flux results.
 // This factor needs to be computed at each iteration, as it is based on the
-// volume estimate of each FSR, which improves over the course of the simulation
+// volume estimate of each FSR, which improves over the course of the
+// simulation
 double FlatSourceDomain::compute_fixed_source_normalization_factor() const
 {
   // If we are not in fixed source mode, then there are no external sources
@@ -505,7 +566,7 @@ double FlatSourceDomain::compute_fixed_source_normalization_factor() const
       // angle data.
       const int t = 0;
       const int a = 0;
-      float sigma_t = data::mg.macro_xs_[material].get_xs(
+      double sigma_t = data::mg.macro_xs_[material].get_xs(
         MgxsType::TOTAL, e, nullptr, nullptr, nullptr, t, a);
       simulation_external_source_strength +=
         external_source_[sr * negroups_ + e] * sigma_t * volume;
@@ -559,12 +620,13 @@ void FlatSourceDomain::random_ray_tally()
   for (int sr = 0; sr < n_source_regions_; sr++) {
     // The fsr.volume_ is the unitless fractional simulation averaged volume
     // (i.e., it is the FSR's fraction of the overall simulation volume). The
-    // simulation_volume_ is the total 3D physical volume in cm^3 of the entire
-    // global simulation domain (as defined by the ray source box). Thus, the
-    // FSR's true 3D spatial volume in cm^3 is found by multiplying its fraction
-    // of the total volume by the total volume. Not important in eigenvalue
-    // solves, but useful in fixed source solves for returning the flux shape
-    // with a magnitude that makes sense relative to the fixed source strength.
+    // simulation_volume_ is the total 3D physical volume in cm^3 of the
+    // entire global simulation domain (as defined by the ray source box).
+    // Thus, the FSR's true 3D spatial volume in cm^3 is found by multiplying
+    // its fraction of the total volume by the total volume. Not important in
+    // eigenvalue solves, but useful in fixed source solves for returning the
+    // flux shape with a magnitude that makes sense relative to the fixed
+    // source strength.
     double volume = volume_[sr] * simulation_volume_;
 
     double material = material_[sr];
@@ -741,11 +803,8 @@ void FlatSourceDomain::all_reduce_replicated_source_regions()
   MPI_Allreduce(MPI_IN_PLACE, volume_.data(), n_source_regions_, MPI_DOUBLE,
     MPI_SUM, mpi::intracomm);
 
-  MPI_Allreduce(MPI_IN_PLACE, was_hit_.data(), n_source_regions_, MPI_INT,
-    MPI_SUM, mpi::intracomm);
-
   MPI_Allreduce(MPI_IN_PLACE, scalar_flux_new_.data(), n_source_elements_,
-    MPI_FLOAT, MPI_SUM, mpi::intracomm);
+    MPI_DOUBLE, MPI_SUM, mpi::intracomm);
 
   simulation::time_bank_sendrecv.stop();
 #endif
@@ -913,6 +972,8 @@ void FlatSourceDomain::output_to_vtk() const
 void FlatSourceDomain::apply_external_source_to_source_region(
   Discrete* discrete, double strength_factor, int64_t source_region)
 {
+  external_source_present_[source_region] = true;
+
   const auto& discrete_energies = discrete->x();
   const auto& discrete_probs = discrete->prob();
 
@@ -968,14 +1029,10 @@ void FlatSourceDomain::apply_external_source_to_cell_and_children(
 
 void FlatSourceDomain::count_external_source_regions()
 {
+  n_external_source_regions_ = 0;
 #pragma omp parallel for reduction(+ : n_external_source_regions_)
   for (int sr = 0; sr < n_source_regions_; sr++) {
-    float total = 0.f;
-    for (int e = 0; e < negroups_; e++) {
-      int64_t se = sr * negroups_ + e;
-      total += external_source_[se];
-    }
-    if (total != 0.f) {
+    if (external_source_present_[sr]) {
       n_external_source_regions_++;
     }
   }
@@ -1029,7 +1086,7 @@ void FlatSourceDomain::convert_external_sources()
   for (int sr = 0; sr < n_source_regions_; sr++) {
     int material = material_[sr];
     for (int e = 0; e < negroups_; e++) {
-      float sigma_t = data::mg.macro_xs_[material].get_xs(
+      double sigma_t = data::mg.macro_xs_[material].get_xs(
         MgxsType::TOTAL, e, nullptr, nullptr, nullptr, t, a);
       external_source_[sr * negroups_ + e] /= sigma_t;
     }
diff --git a/src/random_ray/linear_source_domain.cpp b/src/random_ray/linear_source_domain.cpp
index 1603ec24a..5c3fa91c1 100644
--- a/src/random_ray/linear_source_domain.cpp
+++ b/src/random_ray/linear_source_domain.cpp
@@ -70,25 +70,25 @@ void LinearSourceDomain::update_neutron_source(double k_eff)
     MomentMatrix invM = mom_matrix_[sr].inverse();
 
     for (int e_out = 0; e_out < negroups_; e_out++) {
-      float sigma_t = data::mg.macro_xs_[material].get_xs(
+      double sigma_t = data::mg.macro_xs_[material].get_xs(
         MgxsType::TOTAL, e_out, nullptr, nullptr, nullptr, t, a);
 
-      float scatter_flat = 0.0f;
-      float fission_flat = 0.0f;
+      double scatter_flat = 0.0f;
+      double fission_flat = 0.0f;
       MomentArray scatter_linear = {0.0, 0.0, 0.0};
       MomentArray fission_linear = {0.0, 0.0, 0.0};
 
       for (int e_in = 0; e_in < negroups_; e_in++) {
         // Handles for the flat and linear components of the flux
-        float flux_flat = scalar_flux_old_[sr * negroups_ + e_in];
+        double flux_flat = scalar_flux_old_[sr * negroups_ + e_in];
         MomentArray flux_linear = flux_moments_old_[sr * negroups_ + e_in];
 
         // Handles for cross sections
-        float sigma_s = data::mg.macro_xs_[material].get_xs(
+        double sigma_s = data::mg.macro_xs_[material].get_xs(
           MgxsType::NU_SCATTER, e_in, &e_out, nullptr, nullptr, t, a);
-        float nu_sigma_f = data::mg.macro_xs_[material].get_xs(
+        double nu_sigma_f = data::mg.macro_xs_[material].get_xs(
           MgxsType::NU_FISSION, e_in, nullptr, nullptr, nullptr, t, a);
-        float chi = data::mg.macro_xs_[material].get_xs(
+        double chi = data::mg.macro_xs_[material].get_xs(
           MgxsType::CHI_PROMPT, e_in, &e_out, nullptr, nullptr, t, a);
 
         // Compute source terms for flat and linear components of the flux
@@ -103,7 +103,10 @@ void LinearSourceDomain::update_neutron_source(double k_eff)
         (scatter_flat + fission_flat * inverse_k_eff) / sigma_t;
 
       // Compute the linear source terms
-      if (simulation::current_batch > 2) {
+      // In the first 10 iterations when the centroids and spatial moments
+      // are not well known, we will leave the source gradients as zero
+      // so as to avoid causing any numerical instability.
+      if (simulation::current_batch > 10) {
         source_gradients_[sr * negroups_ + e_out] =
           invM * ((scatter_linear + fission_linear * inverse_k_eff) / sigma_t);
       }
@@ -124,7 +127,7 @@ void LinearSourceDomain::update_neutron_source(double k_eff)
 void LinearSourceDomain::normalize_scalar_flux_and_volumes(
   double total_active_distance_per_iteration)
 {
-  float normalization_factor = 1.0 / total_active_distance_per_iteration;
+  double normalization_factor = 1.0 / total_active_distance_per_iteration;
   double volume_normalization_factor =
     1.0 / (total_active_distance_per_iteration * simulation::current_batch);
 
@@ -142,6 +145,7 @@ void LinearSourceDomain::normalize_scalar_flux_and_volumes(
     centroid_t_[sr] += centroid_iteration_[sr];
     mom_matrix_t_[sr] += mom_matrix_[sr];
     volume_t_[sr] += volume_[sr];
+    volume_naive_[sr] = volume_[sr] * normalization_factor;
     volume_[sr] = volume_t_[sr] * volume_normalization_factor;
     if (volume_t_[sr] > 0.0) {
       double inv_volume = 1.0 / volume_t_[sr];
@@ -153,56 +157,18 @@ void LinearSourceDomain::normalize_scalar_flux_and_volumes(
   }
 }
 
-int64_t LinearSourceDomain::add_source_to_scalar_flux()
+void LinearSourceDomain::set_flux_to_flux_plus_source(
+  int64_t idx, double volume, int material, int g)
 {
-  int64_t n_hits = 0;
+  scalar_flux_new_[idx] /= volume;
+  scalar_flux_new_[idx] += source_[idx];
+  flux_moments_new_[idx] *= (1.0 / volume);
+}
 
-  // Temperature and angle indices, if using multiple temperature
-  // data sets and/or anisotropic data sets.
-  // TODO: Currently assumes we are only using single temp/single
-  // angle data.
-  const int t = 0;
-  const int a = 0;
-
-#pragma omp parallel for reduction(+ : n_hits)
-  for (int sr = 0; sr < n_source_regions_; sr++) {
-
-    double volume = volume_[sr];
-    int material = material_[sr];
-
-    // Check if this cell was hit this iteration
-    int was_cell_hit = was_hit_[sr];
-    if (was_cell_hit) {
-      n_hits++;
-    }
-
-    for (int g = 0; g < negroups_; g++) {
-      int64_t idx = (sr * negroups_) + g;
-      // There are three scenarios we need to consider:
-      if (was_cell_hit) {
-        // 1. If the FSR was hit this iteration, then the new flux is equal to
-        // the flat source from the previous iteration plus the contributions
-        // from rays passing through the source region (computed during the
-        // transport sweep)
-        scalar_flux_new_[idx] /= volume;
-        scalar_flux_new_[idx] += source_[idx];
-        flux_moments_new_[idx] *= (1.0 / volume);
-      } else if (volume > 0.0) {
-        // 2. If the FSR was not hit this iteration, but has been hit some
-        // previous iteration, then we simply set the new scalar flux to be
-        // equal to the contribution from the flat source alone.
-        scalar_flux_new_[idx] = source_[idx];
-      } else {
-        // If the FSR was not hit this iteration, and it has never been hit in
-        // any iteration (i.e., volume is zero), then we want to set this to 0
-        // to avoid dividing anything by a zero volume.
-        scalar_flux_new_[idx] = 0.0f;
-        flux_moments_new_[idx] *= 0.0;
-      }
-    }
-  }
-
-  return n_hits;
+void LinearSourceDomain::set_flux_to_old_flux(int64_t idx)
+{
+  scalar_flux_new_[idx] = scalar_flux_old_[idx];
+  flux_moments_new_[idx] = flux_moments_old_[idx];
 }
 
 void LinearSourceDomain::flux_swap()
@@ -254,7 +220,7 @@ void LinearSourceDomain::all_reduce_replicated_source_regions()
 double LinearSourceDomain::evaluate_flux_at_point(
   Position r, int64_t sr, int g) const
 {
-  float phi_flat = FlatSourceDomain::evaluate_flux_at_point(r, sr, g);
+  double phi_flat = FlatSourceDomain::evaluate_flux_at_point(r, sr, g);
 
   Position local_r = r - centroid_[sr];
   MomentArray phi_linear = flux_moments_t_[sr * negroups_ + g];
diff --git a/src/random_ray/random_ray.cpp b/src/random_ray/random_ray.cpp
index a5bf6ec10..eb64cb7d2 100644
--- a/src/random_ray/random_ray.cpp
+++ b/src/random_ray/random_ray.cpp
@@ -348,12 +348,6 @@ void RandomRay::attenuate_flux_flat_source(double distance, bool is_active)
       domain_->scalar_flux_new_[source_element + g] += delta_psi_[g];
     }
 
-    // If the source region hasn't been hit yet this iteration,
-    // indicate that it now has
-    if (domain_->was_hit_[source_region] == 0) {
-      domain_->was_hit_[source_region] = 1;
-    }
-
     // Accomulate volume (ray distance) into this iteration's estimate
     // of the source region's volume
     domain_->volume_[source_region] += distance;
@@ -505,12 +499,6 @@ void RandomRay::attenuate_flux_linear_source(double distance, bool is_active)
     moment_matrix_estimate *= distance;
     domain->mom_matrix_[source_region] += moment_matrix_estimate;
 
-    // If the source region hasn't been hit yet this iteration,
-    // indicate that it now has
-    if (domain_->was_hit_[source_region] == 0) {
-      domain_->was_hit_[source_region] = 1;
-    }
-
     // Tally valid position inside the source region (e.g., midpoint of
     // the ray) if not done already
     if (!domain_->position_recorded_[source_region]) {
diff --git a/src/random_ray/random_ray_simulation.cpp b/src/random_ray/random_ray_simulation.cpp
index 4bc77645b..57959e801 100644
--- a/src/random_ray/random_ray_simulation.cpp
+++ b/src/random_ray/random_ray_simulation.cpp
@@ -383,7 +383,7 @@ void RandomRaySimulation::instability_check(
         "Very high FSR miss rate detected ({:.3f}%). Instability may occur. "
         "Increase ray density by adding more rays and/or active distance.",
         percent_missed));
-    } else if (percent_missed > 0.01) {
+    } else if (percent_missed > 1.0) {
       warning(
         fmt::format("Elevated FSR miss rate detected ({:.3f}%). Increasing "
                     "ray density by adding more rays and/or active "
@@ -432,6 +432,22 @@ void RandomRaySimulation::print_results_random_ray(
     fmt::print("   Avg per Iteration               = {:.4e}\n",
       total_integrations / settings::n_batches);
 
+    std::string estimator;
+    switch (domain_->volume_estimator_) {
+    case RandomRayVolumeEstimator::SIMULATION_AVERAGED:
+      estimator = "Simulation Averaged";
+      break;
+    case RandomRayVolumeEstimator::NAIVE:
+      estimator = "Naive";
+      break;
+    case RandomRayVolumeEstimator::HYBRID:
+      estimator = "Hybrid";
+      break;
+    default:
+      fatal_error("Invalid volume estimator type");
+    }
+    fmt::print(" Volume Estimator Type             = {}\n", estimator);
+
     header("Timing Statistics", 4);
     show_time("Total time for initialization", time_initialize.elapsed());
     show_time("Reading cross sections", time_read_xs.elapsed(), 1);
diff --git a/src/settings.cpp b/src/settings.cpp
index db956abf5..ba451e219 100644
--- a/src/settings.cpp
+++ b/src/settings.cpp
@@ -269,6 +269,20 @@ void get_run_parameters(pugi::xml_node node_base)
     } else {
       fatal_error("Specify random ray source in settings XML");
     }
+    if (check_for_node(random_ray_node, "volume_estimator")) {
+      std::string temp_str =
+        get_node_value(random_ray_node, "volume_estimator", true, true);
+      if (temp_str == "simulation_averaged") {
+        FlatSourceDomain::volume_estimator_ =
+          RandomRayVolumeEstimator::SIMULATION_AVERAGED;
+      } else if (temp_str == "naive") {
+        FlatSourceDomain::volume_estimator_ = RandomRayVolumeEstimator::NAIVE;
+      } else if (temp_str == "hybrid") {
+        FlatSourceDomain::volume_estimator_ = RandomRayVolumeEstimator::HYBRID;
+      } else {
+        fatal_error("Unrecognized volume estimator: " + temp_str);
+      }
+    }
     if (check_for_node(random_ray_node, "source_shape")) {
       std::string temp_str =
         get_node_value(random_ray_node, "source_shape", true, true);
diff --git a/tests/regression_tests/random_ray_fixed_source_domain/cell/results_true.dat b/tests/regression_tests/random_ray_fixed_source_domain/cell/results_true.dat
index 5f2975860..6da51a711 100644
--- a/tests/regression_tests/random_ray_fixed_source_domain/cell/results_true.dat
+++ b/tests/regression_tests/random_ray_fixed_source_domain/cell/results_true.dat
@@ -1,9 +1,9 @@
 tally 1:
--5.745886E+02
-9.758367E+04
+5.934460E-01
+7.058894E-02
 tally 2:
-2.971927E-02
-1.827222E-04
+3.206214E-02
+2.063370E-04
 tally 3:
-1.978393E-03
-7.951531E-07
+2.096411E-03
+8.804924E-07
diff --git a/tests/regression_tests/random_ray_fixed_source_domain/material/results_true.dat b/tests/regression_tests/random_ray_fixed_source_domain/material/results_true.dat
index 5f2975860..6da51a711 100644
--- a/tests/regression_tests/random_ray_fixed_source_domain/material/results_true.dat
+++ b/tests/regression_tests/random_ray_fixed_source_domain/material/results_true.dat
@@ -1,9 +1,9 @@
 tally 1:
--5.745886E+02
-9.758367E+04
+5.934460E-01
+7.058894E-02
 tally 2:
-2.971927E-02
-1.827222E-04
+3.206214E-02
+2.063370E-04
 tally 3:
-1.978393E-03
-7.951531E-07
+2.096411E-03
+8.804924E-07
diff --git a/tests/regression_tests/random_ray_fixed_source_domain/universe/results_true.dat b/tests/regression_tests/random_ray_fixed_source_domain/universe/results_true.dat
index 5f2975860..6da51a711 100644
--- a/tests/regression_tests/random_ray_fixed_source_domain/universe/results_true.dat
+++ b/tests/regression_tests/random_ray_fixed_source_domain/universe/results_true.dat
@@ -1,9 +1,9 @@
 tally 1:
--5.745886E+02
-9.758367E+04
+5.934460E-01
+7.058894E-02
 tally 2:
-2.971927E-02
-1.827222E-04
+3.206214E-02
+2.063370E-04
 tally 3:
-1.978393E-03
-7.951531E-07
+2.096411E-03
+8.804924E-07
diff --git a/tests/regression_tests/random_ray_fixed_source_linear/linear/inputs_true.dat b/tests/regression_tests/random_ray_fixed_source_linear/linear/inputs_true.dat
index e2972c5f2..6ef3f0871 100644
--- a/tests/regression_tests/random_ray_fixed_source_linear/linear/inputs_true.dat
+++ b/tests/regression_tests/random_ray_fixed_source_linear/linear/inputs_true.dat
@@ -192,8 +192,8 @@
   <settings>
     <run_mode>fixed source</run_mode>
     <particles>90</particles>
-    <batches>10</batches>
-    <inactive>5</inactive>
+    <batches>40</batches>
+    <inactive>20</inactive>
     <source particle="neutron" strength="3.14" type="independent">
       <energy type="discrete">
         <parameters>100.0 1.0</parameters>
diff --git a/tests/regression_tests/random_ray_fixed_source_linear/linear/results_true.dat b/tests/regression_tests/random_ray_fixed_source_linear/linear/results_true.dat
index 7fb01a0ea..46200b19c 100644
--- a/tests/regression_tests/random_ray_fixed_source_linear/linear/results_true.dat
+++ b/tests/regression_tests/random_ray_fixed_source_linear/linear/results_true.dat
@@ -1,9 +1,9 @@
 tally 1:
--5.745718E+02
-9.757661E+04
+2.339084E+00
+2.747299E-01
 tally 2:
-3.074428E-02
-1.952251E-04
+1.090051E-01
+6.073265E-04
 tally 3:
-1.980876E-03
-7.970502E-07
+7.300117E-03
+2.715425E-06
diff --git a/tests/regression_tests/random_ray_fixed_source_linear/linear_xy/inputs_true.dat b/tests/regression_tests/random_ray_fixed_source_linear/linear_xy/inputs_true.dat
index 5b958d65c..805c53fe6 100644
--- a/tests/regression_tests/random_ray_fixed_source_linear/linear_xy/inputs_true.dat
+++ b/tests/regression_tests/random_ray_fixed_source_linear/linear_xy/inputs_true.dat
@@ -192,8 +192,8 @@
   <settings>
     <run_mode>fixed source</run_mode>
     <particles>90</particles>
-    <batches>10</batches>
-    <inactive>5</inactive>
+    <batches>40</batches>
+    <inactive>20</inactive>
     <source particle="neutron" strength="3.14" type="independent">
       <energy type="discrete">
         <parameters>100.0 1.0</parameters>
diff --git a/tests/regression_tests/random_ray_fixed_source_linear/linear_xy/results_true.dat b/tests/regression_tests/random_ray_fixed_source_linear/linear_xy/results_true.dat
index 22b39edcf..ea711a925 100644
--- a/tests/regression_tests/random_ray_fixed_source_linear/linear_xy/results_true.dat
+++ b/tests/regression_tests/random_ray_fixed_source_linear/linear_xy/results_true.dat
@@ -1,9 +1,9 @@
 tally 1:
--5.745810E+02
-9.758220E+04
+2.335701E+00
+2.742860E-01
 tally 2:
-3.022777E-02
-1.884091E-04
+1.081600E-01
+5.980902E-04
 tally 3:
-1.980651E-03
-7.968779E-07
+7.295015E-03
+2.711589E-06
diff --git a/tests/regression_tests/random_ray_fixed_source_linear/test.py b/tests/regression_tests/random_ray_fixed_source_linear/test.py
index 25335dea6..99211024e 100644
--- a/tests/regression_tests/random_ray_fixed_source_linear/test.py
+++ b/tests/regression_tests/random_ray_fixed_source_linear/test.py
@@ -23,5 +23,7 @@ def test_random_ray_fixed_source_linear(shape):
         openmc.reset_auto_ids()
         model = random_ray_three_region_cube()
         model.settings.random_ray['source_shape'] = shape
-        harness = MGXSTestHarness('statepoint.10.h5', model)
+        model.settings.inactive = 20
+        model.settings.batches = 40
+        harness = MGXSTestHarness('statepoint.40.h5', model)
         harness.main()
diff --git a/tests/regression_tests/random_ray_fixed_source_normalization/False/results_true.dat b/tests/regression_tests/random_ray_fixed_source_normalization/False/results_true.dat
index dbe778df9..d8f78493c 100644
--- a/tests/regression_tests/random_ray_fixed_source_normalization/False/results_true.dat
+++ b/tests/regression_tests/random_ray_fixed_source_normalization/False/results_true.dat
@@ -1,9 +1,9 @@
 tally 1:
--6.614590E+04
-1.283943E+09
+6.840321E+01
+9.376316E+02
 tally 2:
-4.612657E+02
-4.402080E+04
+4.976182E+02
+4.970407E+04
 tally 3:
-2.248302E+01
-1.026884E+02
+2.382441E+01
+1.137148E+02
diff --git a/tests/regression_tests/random_ray_fixed_source_normalization/True/results_true.dat b/tests/regression_tests/random_ray_fixed_source_normalization/True/results_true.dat
index 5f2975860..6da51a711 100644
--- a/tests/regression_tests/random_ray_fixed_source_normalization/True/results_true.dat
+++ b/tests/regression_tests/random_ray_fixed_source_normalization/True/results_true.dat
@@ -1,9 +1,9 @@
 tally 1:
--5.745886E+02
-9.758367E+04
+5.934460E-01
+7.058894E-02
 tally 2:
-2.971927E-02
-1.827222E-04
+3.206214E-02
+2.063370E-04
 tally 3:
-1.978393E-03
-7.951531E-07
+2.096411E-03
+8.804924E-07
diff --git a/tests/regression_tests/random_ray_fixed_source_subcritical/flat/results_true.dat b/tests/regression_tests/random_ray_fixed_source_subcritical/flat/results_true.dat
index e9d2a733d..831eac501 100644
--- a/tests/regression_tests/random_ray_fixed_source_subcritical/flat/results_true.dat
+++ b/tests/regression_tests/random_ray_fixed_source_subcritical/flat/results_true.dat
@@ -1,168 +1,168 @@
 tally 1:
-1.582116E+02
-1.005480E+03
+1.591301E+02
+1.016825E+03
 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
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 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
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 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
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 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
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 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
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 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
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-1.314208E+02
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 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-2.002152E+02
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 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
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 0.000000E+00
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 0.000000E+00
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 0.000000E+00
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 0.000000E+00
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 0.000000E+00
 0.000000E+00
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 0.000000E+00
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 0.000000E+00
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 0.000000E+00
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 0.000000E+00
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 0.000000E+00
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 0.000000E+00
 0.000000E+00
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 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-5.836421E+01
-1.367538E+02
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+1.368656E+02
 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-2.042089E+01
-1.673401E+01
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 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-2.477708E+01
-2.463124E+01
+2.467632E+01
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 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-5.317851E+01
-1.134205E+02
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 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-9.634473E+01
-3.724422E+02
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 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-5.879813E+01
-1.396454E+02
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 0.000000E+00
 0.000000E+00
 0.000000E+00
diff --git a/tests/regression_tests/random_ray_fixed_source_subcritical/linear_xy/results_true.dat b/tests/regression_tests/random_ray_fixed_source_subcritical/linear_xy/results_true.dat
index 90be5c569..43a6d8258 100644
--- a/tests/regression_tests/random_ray_fixed_source_subcritical/linear_xy/results_true.dat
+++ b/tests/regression_tests/random_ray_fixed_source_subcritical/linear_xy/results_true.dat
@@ -1,168 +1,168 @@
 tally 1:
-1.573422E+02
-9.945961E+02
+1.583461E+02
+1.007023E+03
 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-5.868035E+01
-1.382578E+02
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 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-2.028997E+01
-1.651549E+01
+2.028333E+01
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 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-2.453137E+01
-2.414255E+01
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 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-5.232506E+01
-1.098683E+02
+5.235799E+01
+1.099237E+02
 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-9.385720E+01
-3.539613E+02
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 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-5.664229E+01
-1.298333E+02
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 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-2.001324E+02
-1.606858E+03
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 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-7.358736E+01
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 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-2.625416E+01
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 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
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 0.000000E+00
 0.000000E+00
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 0.000000E+00
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 0.000000E+00
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 0.000000E+00
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 0.000000E+00
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 0.000000E+00
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 0.000000E+00
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 0.000000E+00
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 0.000000E+00
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 0.000000E+00
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 0.000000E+00
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 0.000000E+00
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 0.000000E+00
diff --git a/tests/regression_tests/random_ray_k_eff/results_true.dat b/tests/regression_tests/random_ray_k_eff/results_true.dat
index ee2e4000d..a21929d53 100644
--- a/tests/regression_tests/random_ray_k_eff/results_true.dat
+++ b/tests/regression_tests/random_ray_k_eff/results_true.dat
@@ -1,36 +1,36 @@
 k-combined:
-8.400322E-01 8.023350E-03
+8.400321E-01 8.023358E-03
 tally 1:
-5.086560E+00
-5.180937E+00
+5.086559E+00
+5.180935E+00
 1.885166E+00
-7.115505E-01
-4.588117E+00
-4.214785E+00
-2.860401E+00
-1.639329E+00
+7.115503E-01
+4.588116E+00
+4.214784E+00
+2.860400E+00
+1.639328E+00
 4.245221E-01
-3.610930E-02
+3.610929E-02
 1.033202E+00
 2.138892E-01
 1.692631E+00
-5.793967E-01
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 5.445818E-02
 5.996625E-04
 1.325403E-01
 3.552030E-03
-2.372249E+00
+2.372248E+00
 1.146944E+00
-7.808143E-02
-1.242279E-03
+7.808142E-02
+1.242278E-03
 1.900346E-01
-7.358492E-03
-7.134949E+00
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 1.034824E+01
-8.272648E-02
-1.391872E-03
-2.013422E-01
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+1.391871E-03
+2.013421E-01
+8.244788E-03
 2.043539E+01
 8.389902E+01
 3.099367E-02
@@ -40,23 +40,23 @@ tally 1:
 1.313212E+01
 3.449537E+01
 1.764293E-01
-6.225587E-03
-4.907293E-01
-4.816401E-02
-7.567717E+00
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 1.145439E+01
 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
 3.383194E+00
-2.290469E+00
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 0.000000E+00
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-6.726159E-01
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 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -67,7 +67,7 @@ tally 1:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-7.453759E+00
+7.453758E+00
 1.128171E+01
 0.000000E+00
 0.000000E+00
@@ -85,12 +85,12 @@ tally 1:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-4.601917E+00
-4.242626E+00
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 1.719723E+00
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+4.185462E+00
+3.508695E+00
 2.730305E+00
 1.494324E+00
 4.108214E-01
@@ -98,67 +98,67 @@ tally 1:
 9.998572E-01
 2.004436E-01
 1.660852E+00
-5.570433E-01
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 5.428709E-02
 5.947848E-04
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 2.306069E+00
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 7.075194E+00
 1.017519E+01
 8.322052E-02
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 2.025446E-01
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 2.094832E+01
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 3.234739E-02
 2.101889E-04
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 1.357413E+01
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 1.861680E-01
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 5.178169E-01
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 1.638250E+00
 4.332944E-01
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 1.054552E+00
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 1.693008E+00
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 5.561096E-02
 6.247543E-04
 1.353459E-01
 3.700658E-03
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 1.143296E+00
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 1.286690E-03
 1.935314E-01
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 1.030023E+01
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+8.428175E-02
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+2.051274E-01
+8.547243E-03
 2.046758E+01
-8.418768E+01
+8.418767E+01
 3.181946E-02
 2.034766E-04
 7.873502E-02
@@ -166,6 +166,6 @@ tally 1:
 1.325834E+01
 3.515919E+01
 1.832838E-01
-6.720556E-03
+6.720555E-03
 5.097947E-01
 5.199331E-02
diff --git a/tests/regression_tests/random_ray_linear/linear/inputs_true.dat b/tests/regression_tests/random_ray_linear/linear/inputs_true.dat
index c580be3d1..4df51bad5 100644
--- a/tests/regression_tests/random_ray_linear/linear/inputs_true.dat
+++ b/tests/regression_tests/random_ray_linear/linear/inputs_true.dat
@@ -74,8 +74,8 @@
   <settings>
     <run_mode>eigenvalue</run_mode>
     <particles>100</particles>
-    <batches>10</batches>
-    <inactive>5</inactive>
+    <batches>40</batches>
+    <inactive>20</inactive>
     <energy_mode>multi-group</energy_mode>
     <random_ray>
       <distance_active>100.0</distance_active>
diff --git a/tests/regression_tests/random_ray_linear/linear/results_true.dat b/tests/regression_tests/random_ray_linear/linear/results_true.dat
index a3e24dc75..6617c7821 100644
--- a/tests/regression_tests/random_ray_linear/linear/results_true.dat
+++ b/tests/regression_tests/random_ray_linear/linear/results_true.dat
@@ -1,171 +1,171 @@
 k-combined:
-8.273022E-01 1.347623E-02
+1.095967E+00 1.543581E-02
 tally 1:
-5.004109E+00
-5.022655E+00
-1.844047E+00
-6.833376E-01
-4.488042E+00
-4.047669E+00
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diff --git a/tests/regression_tests/random_ray_linear/linear_xy/inputs_true.dat b/tests/regression_tests/random_ray_linear/linear_xy/inputs_true.dat
index 5c4076de7..113771438 100644
--- a/tests/regression_tests/random_ray_linear/linear_xy/inputs_true.dat
+++ b/tests/regression_tests/random_ray_linear/linear_xy/inputs_true.dat
@@ -74,8 +74,8 @@
   <settings>
     <run_mode>eigenvalue</run_mode>
     <particles>100</particles>
-    <batches>10</batches>
-    <inactive>5</inactive>
+    <batches>40</batches>
+    <inactive>20</inactive>
     <energy_mode>multi-group</energy_mode>
     <random_ray>
       <distance_active>100.0</distance_active>
diff --git a/tests/regression_tests/random_ray_linear/linear_xy/results_true.dat b/tests/regression_tests/random_ray_linear/linear_xy/results_true.dat
index f79b3fa78..abfd03c06 100644
--- a/tests/regression_tests/random_ray_linear/linear_xy/results_true.dat
+++ b/tests/regression_tests/random_ray_linear/linear_xy/results_true.dat
@@ -1,171 +1,171 @@
 k-combined:
-8.368882E-01 8.107070E-03
+1.104727E+00 1.593303E-02
 tally 1:
-5.072700E+00
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diff --git a/tests/regression_tests/random_ray_linear/test.py b/tests/regression_tests/random_ray_linear/test.py
index 10262789d..510c57de8 100644
--- a/tests/regression_tests/random_ray_linear/test.py
+++ b/tests/regression_tests/random_ray_linear/test.py
@@ -22,5 +22,7 @@ def test_random_ray_source(shape):
         openmc.reset_auto_ids()
         model = random_ray_lattice()
         model.settings.random_ray['source_shape'] = shape
-        harness = MGXSTestHarness('statepoint.10.h5', model)
+        model.settings.inactive = 20
+        model.settings.batches = 40
+        harness = MGXSTestHarness('statepoint.40.h5', model)
         harness.main()
diff --git a/tests/regression_tests/random_ray_volume_estimator/__init__.py b/tests/regression_tests/random_ray_volume_estimator/__init__.py
new file mode 100644
index 000000000..e69de29bb
diff --git a/tests/regression_tests/random_ray_volume_estimator/hybrid/inputs_true.dat b/tests/regression_tests/random_ray_volume_estimator/hybrid/inputs_true.dat
new file mode 100644
index 000000000..9c15ec97d
--- /dev/null
+++ b/tests/regression_tests/random_ray_volume_estimator/hybrid/inputs_true.dat
@@ -0,0 +1,245 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <cross_sections>mgxs.h5</cross_sections>
+    <material id="1" name="source">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="source"/>
+    </material>
+    <material id="2" name="void">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="void"/>
+    </material>
+    <material id="3" name="absorber">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="absorber"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" name="infinite source region" universe="1"/>
+    <cell id="2" material="2" name="infinite void region" universe="2"/>
+    <cell id="3" material="3" name="infinite absorber region" universe="3"/>
+    <cell fill="4" id="4" universe="5"/>
+    <cell fill="5" id="5" name="full domain" region="1 -2 3 -4 5 -6" universe="6"/>
+    <lattice id="4">
+      <pitch>2.5 2.5 2.5</pitch>
+      <dimension>12 12 12</dimension>
+      <lower_left>0.0 0.0 0.0</lower_left>
+      <universes>
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+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 </universes>
+    </lattice>
+    <surface boundary="reflective" coeffs="0.0" id="1" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="30.0" id="2" type="x-plane"/>
+    <surface boundary="reflective" coeffs="0.0" id="3" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="30.0" id="4" type="y-plane"/>
+    <surface boundary="reflective" coeffs="0.0" id="5" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="30.0" id="6" type="z-plane"/>
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>90</particles>
+    <batches>10</batches>
+    <inactive>5</inactive>
+    <source particle="neutron" strength="3.14" type="independent">
+      <energy type="discrete">
+        <parameters>100.0 1.0</parameters>
+      </energy>
+      <constraints>
+        <domain_type>universe</domain_type>
+        <domain_ids>1</domain_ids>
+      </constraints>
+    </source>
+    <energy_mode>multi-group</energy_mode>
+    <random_ray>
+      <distance_active>500.0</distance_active>
+      <distance_inactive>100.0</distance_inactive>
+      <source particle="neutron" strength="1.0" type="independent">
+        <space type="box">
+          <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
+        </space>
+      </source>
+      <volume_normalized_flux_tallies>True</volume_normalized_flux_tallies>
+      <volume_estimator>hybrid</volume_estimator>
+    </random_ray>
+  </settings>
+  <tallies>
+    <filter id="3" type="material">
+      <bins>1</bins>
+    </filter>
+    <filter id="2" type="material">
+      <bins>2</bins>
+    </filter>
+    <filter id="1" type="material">
+      <bins>3</bins>
+    </filter>
+    <tally id="3" name="Source Tally">
+      <filters>3</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="2" name="Void Tally">
+      <filters>2</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="1" name="Absorber Tally">
+      <filters>1</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/random_ray_volume_estimator/hybrid/results_true.dat b/tests/regression_tests/random_ray_volume_estimator/hybrid/results_true.dat
new file mode 100644
index 000000000..6da51a711
--- /dev/null
+++ b/tests/regression_tests/random_ray_volume_estimator/hybrid/results_true.dat
@@ -0,0 +1,9 @@
+tally 1:
+5.934460E-01
+7.058894E-02
+tally 2:
+3.206214E-02
+2.063370E-04
+tally 3:
+2.096411E-03
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diff --git a/tests/regression_tests/random_ray_volume_estimator/naive/inputs_true.dat b/tests/regression_tests/random_ray_volume_estimator/naive/inputs_true.dat
new file mode 100644
index 000000000..7d05f0978
--- /dev/null
+++ b/tests/regression_tests/random_ray_volume_estimator/naive/inputs_true.dat
@@ -0,0 +1,245 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <cross_sections>mgxs.h5</cross_sections>
+    <material id="1" name="source">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="source"/>
+    </material>
+    <material id="2" name="void">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="void"/>
+    </material>
+    <material id="3" name="absorber">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="absorber"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" name="infinite source region" universe="1"/>
+    <cell id="2" material="2" name="infinite void region" universe="2"/>
+    <cell id="3" material="3" name="infinite absorber region" universe="3"/>
+    <cell fill="4" id="4" universe="5"/>
+    <cell fill="5" id="5" name="full domain" region="1 -2 3 -4 5 -6" universe="6"/>
+    <lattice id="4">
+      <pitch>2.5 2.5 2.5</pitch>
+      <dimension>12 12 12</dimension>
+      <lower_left>0.0 0.0 0.0</lower_left>
+      <universes>
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+3 3 3 3 3 3 3 3 3 3 3 3 
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+3 3 3 3 3 3 3 3 3 3 3 3 
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+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 </universes>
+    </lattice>
+    <surface boundary="reflective" coeffs="0.0" id="1" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="30.0" id="2" type="x-plane"/>
+    <surface boundary="reflective" coeffs="0.0" id="3" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="30.0" id="4" type="y-plane"/>
+    <surface boundary="reflective" coeffs="0.0" id="5" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="30.0" id="6" type="z-plane"/>
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>90</particles>
+    <batches>10</batches>
+    <inactive>5</inactive>
+    <source particle="neutron" strength="3.14" type="independent">
+      <energy type="discrete">
+        <parameters>100.0 1.0</parameters>
+      </energy>
+      <constraints>
+        <domain_type>universe</domain_type>
+        <domain_ids>1</domain_ids>
+      </constraints>
+    </source>
+    <energy_mode>multi-group</energy_mode>
+    <random_ray>
+      <distance_active>500.0</distance_active>
+      <distance_inactive>100.0</distance_inactive>
+      <source particle="neutron" strength="1.0" type="independent">
+        <space type="box">
+          <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
+        </space>
+      </source>
+      <volume_normalized_flux_tallies>True</volume_normalized_flux_tallies>
+      <volume_estimator>naive</volume_estimator>
+    </random_ray>
+  </settings>
+  <tallies>
+    <filter id="3" type="material">
+      <bins>1</bins>
+    </filter>
+    <filter id="2" type="material">
+      <bins>2</bins>
+    </filter>
+    <filter id="1" type="material">
+      <bins>3</bins>
+    </filter>
+    <tally id="3" name="Source Tally">
+      <filters>3</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="2" name="Void Tally">
+      <filters>2</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="1" name="Absorber Tally">
+      <filters>1</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/random_ray_volume_estimator/naive/results_true.dat b/tests/regression_tests/random_ray_volume_estimator/naive/results_true.dat
new file mode 100644
index 000000000..f8d6d10b0
--- /dev/null
+++ b/tests/regression_tests/random_ray_volume_estimator/naive/results_true.dat
@@ -0,0 +1,9 @@
+tally 1:
+5.935538E-01
+7.061433E-02
+tally 2:
+3.263210E-02
+2.134164E-04
+tally 3:
+2.107977E-03
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diff --git a/tests/regression_tests/random_ray_volume_estimator/simulation_averaged/inputs_true.dat b/tests/regression_tests/random_ray_volume_estimator/simulation_averaged/inputs_true.dat
new file mode 100644
index 000000000..301671e6d
--- /dev/null
+++ b/tests/regression_tests/random_ray_volume_estimator/simulation_averaged/inputs_true.dat
@@ -0,0 +1,245 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <cross_sections>mgxs.h5</cross_sections>
+    <material id="1" name="source">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="source"/>
+    </material>
+    <material id="2" name="void">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="void"/>
+    </material>
+    <material id="3" name="absorber">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="absorber"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" name="infinite source region" universe="1"/>
+    <cell id="2" material="2" name="infinite void region" universe="2"/>
+    <cell id="3" material="3" name="infinite absorber region" universe="3"/>
+    <cell fill="4" id="4" universe="5"/>
+    <cell fill="5" id="5" name="full domain" region="1 -2 3 -4 5 -6" universe="6"/>
+    <lattice id="4">
+      <pitch>2.5 2.5 2.5</pitch>
+      <dimension>12 12 12</dimension>
+      <lower_left>0.0 0.0 0.0</lower_left>
+      <universes>
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
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+
+3 3 3 3 3 3 3 3 3 3 3 3 
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+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+1 1 2 2 2 2 2 2 2 2 3 3 
+1 1 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
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+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 </universes>
+    </lattice>
+    <surface boundary="reflective" coeffs="0.0" id="1" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="30.0" id="2" type="x-plane"/>
+    <surface boundary="reflective" coeffs="0.0" id="3" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="30.0" id="4" type="y-plane"/>
+    <surface boundary="reflective" coeffs="0.0" id="5" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="30.0" id="6" type="z-plane"/>
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>90</particles>
+    <batches>10</batches>
+    <inactive>5</inactive>
+    <source particle="neutron" strength="3.14" type="independent">
+      <energy type="discrete">
+        <parameters>100.0 1.0</parameters>
+      </energy>
+      <constraints>
+        <domain_type>universe</domain_type>
+        <domain_ids>1</domain_ids>
+      </constraints>
+    </source>
+    <energy_mode>multi-group</energy_mode>
+    <random_ray>
+      <distance_active>500.0</distance_active>
+      <distance_inactive>100.0</distance_inactive>
+      <source particle="neutron" strength="1.0" type="independent">
+        <space type="box">
+          <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
+        </space>
+      </source>
+      <volume_normalized_flux_tallies>True</volume_normalized_flux_tallies>
+      <volume_estimator>simulation_averaged</volume_estimator>
+    </random_ray>
+  </settings>
+  <tallies>
+    <filter id="3" type="material">
+      <bins>1</bins>
+    </filter>
+    <filter id="2" type="material">
+      <bins>2</bins>
+    </filter>
+    <filter id="1" type="material">
+      <bins>3</bins>
+    </filter>
+    <tally id="3" name="Source Tally">
+      <filters>3</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="2" name="Void Tally">
+      <filters>2</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="1" name="Absorber Tally">
+      <filters>1</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/random_ray_volume_estimator/simulation_averaged/results_true.dat b/tests/regression_tests/random_ray_volume_estimator/simulation_averaged/results_true.dat
new file mode 100644
index 000000000..5f2975860
--- /dev/null
+++ b/tests/regression_tests/random_ray_volume_estimator/simulation_averaged/results_true.dat
@@ -0,0 +1,9 @@
+tally 1:
+-5.745886E+02
+9.758367E+04
+tally 2:
+2.971927E-02
+1.827222E-04
+tally 3:
+1.978393E-03
+7.951531E-07
diff --git a/tests/regression_tests/random_ray_volume_estimator/test.py b/tests/regression_tests/random_ray_volume_estimator/test.py
new file mode 100644
index 000000000..fba4bbbbe
--- /dev/null
+++ b/tests/regression_tests/random_ray_volume_estimator/test.py
@@ -0,0 +1,30 @@
+import os
+
+import openmc
+from openmc.utility_funcs import change_directory
+from openmc.examples import random_ray_three_region_cube
+import pytest
+
+from tests.testing_harness import TolerantPyAPITestHarness
+
+
+class MGXSTestHarness(TolerantPyAPITestHarness):
+    def _cleanup(self):
+        super()._cleanup()
+        f = 'mgxs.h5'
+        if os.path.exists(f):
+            os.remove(f)
+
+
+@pytest.mark.parametrize("estimator", ["hybrid",
+                                       "simulation_averaged",
+                                       "naive"
+                                       ])
+def test_random_ray_volume_estimator(estimator):
+    with change_directory(estimator):
+        openmc.reset_auto_ids()
+        model = random_ray_three_region_cube()
+        model.settings.random_ray['volume_estimator'] = estimator
+
+        harness = MGXSTestHarness('statepoint.10.h5', model)
+        harness.main()
diff --git a/tests/regression_tests/random_ray_volume_estimator_linear/__init__.py b/tests/regression_tests/random_ray_volume_estimator_linear/__init__.py
new file mode 100644
index 000000000..e69de29bb
diff --git a/tests/regression_tests/random_ray_volume_estimator_linear/hybrid/inputs_true.dat b/tests/regression_tests/random_ray_volume_estimator_linear/hybrid/inputs_true.dat
new file mode 100644
index 000000000..6440cca04
--- /dev/null
+++ b/tests/regression_tests/random_ray_volume_estimator_linear/hybrid/inputs_true.dat
@@ -0,0 +1,246 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <cross_sections>mgxs.h5</cross_sections>
+    <material id="1" name="source">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="source"/>
+    </material>
+    <material id="2" name="void">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="void"/>
+    </material>
+    <material id="3" name="absorber">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="absorber"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" name="infinite source region" universe="1"/>
+    <cell id="2" material="2" name="infinite void region" universe="2"/>
+    <cell id="3" material="3" name="infinite absorber region" universe="3"/>
+    <cell fill="4" id="4" universe="5"/>
+    <cell fill="5" id="5" name="full domain" region="1 -2 3 -4 5 -6" universe="6"/>
+    <lattice id="4">
+      <pitch>2.5 2.5 2.5</pitch>
+      <dimension>12 12 12</dimension>
+      <lower_left>0.0 0.0 0.0</lower_left>
+      <universes>
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+1 1 2 2 2 2 2 2 2 2 3 3 
+1 1 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+1 1 2 2 2 2 2 2 2 2 3 3 
+1 1 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 </universes>
+    </lattice>
+    <surface boundary="reflective" coeffs="0.0" id="1" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="30.0" id="2" type="x-plane"/>
+    <surface boundary="reflective" coeffs="0.0" id="3" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="30.0" id="4" type="y-plane"/>
+    <surface boundary="reflective" coeffs="0.0" id="5" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="30.0" id="6" type="z-plane"/>
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>90</particles>
+    <batches>40</batches>
+    <inactive>20</inactive>
+    <source particle="neutron" strength="3.14" type="independent">
+      <energy type="discrete">
+        <parameters>100.0 1.0</parameters>
+      </energy>
+      <constraints>
+        <domain_type>universe</domain_type>
+        <domain_ids>1</domain_ids>
+      </constraints>
+    </source>
+    <energy_mode>multi-group</energy_mode>
+    <random_ray>
+      <distance_active>500.0</distance_active>
+      <distance_inactive>100.0</distance_inactive>
+      <source particle="neutron" strength="1.0" type="independent">
+        <space type="box">
+          <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
+        </space>
+      </source>
+      <volume_normalized_flux_tallies>True</volume_normalized_flux_tallies>
+      <source_shape>linear</source_shape>
+      <volume_estimator>hybrid</volume_estimator>
+    </random_ray>
+  </settings>
+  <tallies>
+    <filter id="3" type="material">
+      <bins>1</bins>
+    </filter>
+    <filter id="2" type="material">
+      <bins>2</bins>
+    </filter>
+    <filter id="1" type="material">
+      <bins>3</bins>
+    </filter>
+    <tally id="3" name="Source Tally">
+      <filters>3</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="2" name="Void Tally">
+      <filters>2</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="1" name="Absorber Tally">
+      <filters>1</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/random_ray_volume_estimator_linear/hybrid/results_true.dat b/tests/regression_tests/random_ray_volume_estimator_linear/hybrid/results_true.dat
new file mode 100644
index 000000000..46200b19c
--- /dev/null
+++ b/tests/regression_tests/random_ray_volume_estimator_linear/hybrid/results_true.dat
@@ -0,0 +1,9 @@
+tally 1:
+2.339084E+00
+2.747299E-01
+tally 2:
+1.090051E-01
+6.073265E-04
+tally 3:
+7.300117E-03
+2.715425E-06
diff --git a/tests/regression_tests/random_ray_volume_estimator_linear/naive/inputs_true.dat b/tests/regression_tests/random_ray_volume_estimator_linear/naive/inputs_true.dat
new file mode 100644
index 000000000..fcf93b046
--- /dev/null
+++ b/tests/regression_tests/random_ray_volume_estimator_linear/naive/inputs_true.dat
@@ -0,0 +1,246 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <cross_sections>mgxs.h5</cross_sections>
+    <material id="1" name="source">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="source"/>
+    </material>
+    <material id="2" name="void">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="void"/>
+    </material>
+    <material id="3" name="absorber">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="absorber"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" name="infinite source region" universe="1"/>
+    <cell id="2" material="2" name="infinite void region" universe="2"/>
+    <cell id="3" material="3" name="infinite absorber region" universe="3"/>
+    <cell fill="4" id="4" universe="5"/>
+    <cell fill="5" id="5" name="full domain" region="1 -2 3 -4 5 -6" universe="6"/>
+    <lattice id="4">
+      <pitch>2.5 2.5 2.5</pitch>
+      <dimension>12 12 12</dimension>
+      <lower_left>0.0 0.0 0.0</lower_left>
+      <universes>
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+1 1 2 2 2 2 2 2 2 2 3 3 
+1 1 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
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+
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+
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+
+3 3 3 3 3 3 3 3 3 3 3 3 
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+
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+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
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+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 </universes>
+    </lattice>
+    <surface boundary="reflective" coeffs="0.0" id="1" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="30.0" id="2" type="x-plane"/>
+    <surface boundary="reflective" coeffs="0.0" id="3" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="30.0" id="4" type="y-plane"/>
+    <surface boundary="reflective" coeffs="0.0" id="5" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="30.0" id="6" type="z-plane"/>
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>90</particles>
+    <batches>40</batches>
+    <inactive>20</inactive>
+    <source particle="neutron" strength="3.14" type="independent">
+      <energy type="discrete">
+        <parameters>100.0 1.0</parameters>
+      </energy>
+      <constraints>
+        <domain_type>universe</domain_type>
+        <domain_ids>1</domain_ids>
+      </constraints>
+    </source>
+    <energy_mode>multi-group</energy_mode>
+    <random_ray>
+      <distance_active>500.0</distance_active>
+      <distance_inactive>100.0</distance_inactive>
+      <source particle="neutron" strength="1.0" type="independent">
+        <space type="box">
+          <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
+        </space>
+      </source>
+      <volume_normalized_flux_tallies>True</volume_normalized_flux_tallies>
+      <source_shape>linear</source_shape>
+      <volume_estimator>naive</volume_estimator>
+    </random_ray>
+  </settings>
+  <tallies>
+    <filter id="3" type="material">
+      <bins>1</bins>
+    </filter>
+    <filter id="2" type="material">
+      <bins>2</bins>
+    </filter>
+    <filter id="1" type="material">
+      <bins>3</bins>
+    </filter>
+    <tally id="3" name="Source Tally">
+      <filters>3</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="2" name="Void Tally">
+      <filters>2</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="1" name="Absorber Tally">
+      <filters>1</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/random_ray_volume_estimator_linear/naive/results_true.dat b/tests/regression_tests/random_ray_volume_estimator_linear/naive/results_true.dat
new file mode 100644
index 000000000..02bfc5266
--- /dev/null
+++ b/tests/regression_tests/random_ray_volume_estimator_linear/naive/results_true.dat
@@ -0,0 +1,9 @@
+tally 1:
+2.339575E+00
+2.748441E-01
+tally 2:
+1.086360E-01
+6.030557E-04
+tally 3:
+7.298937E-03
+2.741185E-06
diff --git a/tests/regression_tests/random_ray_volume_estimator_linear/simulation_averaged/inputs_true.dat b/tests/regression_tests/random_ray_volume_estimator_linear/simulation_averaged/inputs_true.dat
new file mode 100644
index 000000000..1df3204a3
--- /dev/null
+++ b/tests/regression_tests/random_ray_volume_estimator_linear/simulation_averaged/inputs_true.dat
@@ -0,0 +1,246 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <cross_sections>mgxs.h5</cross_sections>
+    <material id="1" name="source">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="source"/>
+    </material>
+    <material id="2" name="void">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="void"/>
+    </material>
+    <material id="3" name="absorber">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="absorber"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" name="infinite source region" universe="1"/>
+    <cell id="2" material="2" name="infinite void region" universe="2"/>
+    <cell id="3" material="3" name="infinite absorber region" universe="3"/>
+    <cell fill="4" id="4" universe="5"/>
+    <cell fill="5" id="5" name="full domain" region="1 -2 3 -4 5 -6" universe="6"/>
+    <lattice id="4">
+      <pitch>2.5 2.5 2.5</pitch>
+      <dimension>12 12 12</dimension>
+      <lower_left>0.0 0.0 0.0</lower_left>
+      <universes>
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
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+1 1 2 2 2 2 2 2 2 2 3 3 
+1 1 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
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+2 2 2 2 2 2 2 2 2 2 3 3 
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+
+3 3 3 3 3 3 3 3 3 3 3 3 
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+
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+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
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+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
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+2 2 2 2 2 2 2 2 2 2 3 3 
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+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
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+2 2 2 2 2 2 2 2 2 2 3 3 
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+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
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+2 2 2 2 2 2 2 2 2 2 3 3 
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+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 </universes>
+    </lattice>
+    <surface boundary="reflective" coeffs="0.0" id="1" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="30.0" id="2" type="x-plane"/>
+    <surface boundary="reflective" coeffs="0.0" id="3" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="30.0" id="4" type="y-plane"/>
+    <surface boundary="reflective" coeffs="0.0" id="5" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="30.0" id="6" type="z-plane"/>
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>90</particles>
+    <batches>40</batches>
+    <inactive>20</inactive>
+    <source particle="neutron" strength="3.14" type="independent">
+      <energy type="discrete">
+        <parameters>100.0 1.0</parameters>
+      </energy>
+      <constraints>
+        <domain_type>universe</domain_type>
+        <domain_ids>1</domain_ids>
+      </constraints>
+    </source>
+    <energy_mode>multi-group</energy_mode>
+    <random_ray>
+      <distance_active>500.0</distance_active>
+      <distance_inactive>100.0</distance_inactive>
+      <source particle="neutron" strength="1.0" type="independent">
+        <space type="box">
+          <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
+        </space>
+      </source>
+      <volume_normalized_flux_tallies>True</volume_normalized_flux_tallies>
+      <source_shape>linear</source_shape>
+      <volume_estimator>simulation_averaged</volume_estimator>
+    </random_ray>
+  </settings>
+  <tallies>
+    <filter id="3" type="material">
+      <bins>1</bins>
+    </filter>
+    <filter id="2" type="material">
+      <bins>2</bins>
+    </filter>
+    <filter id="1" type="material">
+      <bins>3</bins>
+    </filter>
+    <tally id="3" name="Source Tally">
+      <filters>3</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="2" name="Void Tally">
+      <filters>2</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="1" name="Absorber Tally">
+      <filters>1</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/random_ray_volume_estimator_linear/simulation_averaged/results_true.dat b/tests/regression_tests/random_ray_volume_estimator_linear/simulation_averaged/results_true.dat
new file mode 100644
index 000000000..93e54feea
--- /dev/null
+++ b/tests/regression_tests/random_ray_volume_estimator_linear/simulation_averaged/results_true.dat
@@ -0,0 +1,9 @@
+tally 1:
+2.670874E+02
+4.432876E+05
+tally 2:
+1.117459E-01
+6.497788E-04
+tally 3:
+7.563753E-03
+2.947210E-06
diff --git a/tests/regression_tests/random_ray_volume_estimator_linear/test.py b/tests/regression_tests/random_ray_volume_estimator_linear/test.py
new file mode 100644
index 000000000..94a14f3ad
--- /dev/null
+++ b/tests/regression_tests/random_ray_volume_estimator_linear/test.py
@@ -0,0 +1,32 @@
+import os
+
+import openmc
+from openmc.utility_funcs import change_directory
+from openmc.examples import random_ray_three_region_cube
+import pytest
+
+from tests.testing_harness import TolerantPyAPITestHarness
+
+
+class MGXSTestHarness(TolerantPyAPITestHarness):
+    def _cleanup(self):
+        super()._cleanup()
+        f = 'mgxs.h5'
+        if os.path.exists(f):
+            os.remove(f)
+
+
+@pytest.mark.parametrize("estimator", ["hybrid",
+                                       "simulation_averaged",
+                                       "naive"
+                                       ])
+def test_random_ray_volume_estimator_linear(estimator):
+    with change_directory(estimator):
+        openmc.reset_auto_ids()
+        model = random_ray_three_region_cube()
+        model.settings.random_ray['source_shape'] = 'linear'
+        model.settings.random_ray['volume_estimator'] = estimator
+        model.settings.inactive = 20
+        model.settings.batches = 40
+        harness = MGXSTestHarness('statepoint.40.h5', model)
+        harness.main()

From bd43d751633126d98dee9b5d7b414882780d3a70 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 5 Sep 2024 14:00:08 -0500
Subject: [PATCH 2150/2654] Tweaking title of feature issue template (#3127)

---
 .github/ISSUE_TEMPLATE/feature_request.md | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/.github/ISSUE_TEMPLATE/feature_request.md b/.github/ISSUE_TEMPLATE/feature_request.md
index ddf49b894..978f88d14 100644
--- a/.github/ISSUE_TEMPLATE/feature_request.md
+++ b/.github/ISSUE_TEMPLATE/feature_request.md
@@ -1,5 +1,5 @@
 ---
-name: Feature request
+name: Feature or ehancement request
 about: Suggest a new feature or enhancement to existing capabilities
 title: ''
 labels: ''

From 57816e6b8cf23ed0e9b020b72752ed6aeb9501dd Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Sat, 7 Sep 2024 17:50:38 -0500
Subject: [PATCH 2151/2654] Fix a typo in feature request template (#3128)

---
 .github/ISSUE_TEMPLATE/feature_request.md | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/.github/ISSUE_TEMPLATE/feature_request.md b/.github/ISSUE_TEMPLATE/feature_request.md
index 978f88d14..3b13abdbc 100644
--- a/.github/ISSUE_TEMPLATE/feature_request.md
+++ b/.github/ISSUE_TEMPLATE/feature_request.md
@@ -1,5 +1,5 @@
 ---
-name: Feature or ehancement request
+name: Feature or enhancement request
 about: Suggest a new feature or enhancement to existing capabilities
 title: ''
 labels: ''

From 890cab524295b3455fa2ba8a50e2ed5c85b5e6ab Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 26 Sep 2024 06:45:13 -0500
Subject: [PATCH 2152/2654] Correct failure due to progress bar values  (#3143)

---
 src/plot.cpp | 8 ++++----
 1 file changed, 4 insertions(+), 4 deletions(-)

diff --git a/src/plot.cpp b/src/plot.cpp
index f29653f80..348138570 100644
--- a/src/plot.cpp
+++ b/src/plot.cpp
@@ -971,10 +971,6 @@ void Plot::create_voxel() const
 
   ProgressBar pb;
   for (int z = 0; z < pixels_[2]; z++) {
-    // update progress bar
-    pb.set_value(
-      100. * static_cast<double>(z) / static_cast<double>((pixels_[2] - 1)));
-
     // update z coordinate
     pltbase.origin_.z = ll.z + z * vox[2];
 
@@ -989,6 +985,10 @@ void Plot::create_voxel() const
 
     // Write to HDF5 dataset
     voxel_write_slice(z, dspace, dset, memspace, data_flipped.data());
+
+    // update progress bar
+    pb.set_value(
+      100. * static_cast<double>(z + 1) / static_cast<double>((pixels_[2])));
   }
 
   voxel_finalize(dspace, dset, memspace);

From 8b77a8dd3b3a1c65b1e08f7f032bfee7c86ee51d Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Fri, 27 Sep 2024 00:20:40 +0200
Subject: [PATCH 2153/2654] Adding source option to plot (#2863)

Co-authored-by: Jon Shimwell <jon@proximafusion.com>
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/geometry.py             |   5 +-
 openmc/lib/core.py             |   9 ++-
 openmc/model/model.py          | 116 +++++++++++++++++++++++++++++++++
 openmc/universe.py             |   3 +-
 tests/unit_tests/test_model.py |  29 +++++++++
 5 files changed, 155 insertions(+), 7 deletions(-)

diff --git a/openmc/geometry.py b/openmc/geometry.py
index 6cce4c18c..a52dc4418 100644
--- a/openmc/geometry.py
+++ b/openmc/geometry.py
@@ -7,8 +7,6 @@ from pathlib import Path
 import warnings
 import lxml.etree as ET
 
-import numpy as np
-
 import openmc
 import openmc._xml as xml
 from .checkvalue import check_type, check_less_than, check_greater_than, PathLike
@@ -67,7 +65,7 @@ class Geometry:
         self._root_universe = root_universe
 
     @property
-    def bounding_box(self) -> np.ndarray:
+    def bounding_box(self) -> openmc.BoundingBox:
         return self.root_universe.bounding_box
 
     @property
@@ -800,6 +798,7 @@ class Geometry:
             Units used on the plot axis
         **kwargs
             Keyword arguments passed to :func:`matplotlib.pyplot.imshow`
+
         Returns
         -------
         matplotlib.axes.Axes
diff --git a/openmc/lib/core.py b/openmc/lib/core.py
index a9a549fa0..e646a9ae1 100644
--- a/openmc/lib/core.py
+++ b/openmc/lib/core.py
@@ -474,8 +474,11 @@ def run(output=True):
         _dll.openmc_run()
 
 
-def sample_external_source(n_samples=1, prn_seed=None):
-    """Sample external source
+def sample_external_source(
+        n_samples: int = 1000,
+        prn_seed: int | None = None
+) -> list[openmc.SourceParticle]:
+    """Sample external source and return source particles.
 
     .. versionadded:: 0.13.1
 
@@ -490,7 +493,7 @@ def sample_external_source(n_samples=1, prn_seed=None):
     Returns
     -------
     list of openmc.SourceParticle
-        List of samples source particles
+        List of sampled source particles
 
     """
     if n_samples <= 0:
diff --git a/openmc/model/model.py b/openmc/model/model.py
index 2ea579ab7..78f743a03 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -9,6 +9,7 @@ import warnings
 
 import h5py
 import lxml.etree as ET
+import numpy as np
 
 import openmc
 import openmc._xml as xml
@@ -793,6 +794,121 @@ class Model:
                             openmc.lib.materials[domain_id].volume = \
                                 vol_calc.volumes[domain_id].n
 
+    def plot(
+        self,
+        n_samples: int | None = None,
+        plane_tolerance: float = 1.,
+        source_kwargs: dict | None = None,
+        **kwargs,
+    ):
+        """Display a slice plot of the geometry.
+
+        .. versionadded:: 0.15.1
+
+        Parameters
+        ----------
+        n_samples : dict
+            The number of source particles to sample and add to plot. Defaults
+            to None which doesn't plot any particles on the plot.
+        plane_tolerance: float
+            When plotting a plane the source locations within the plane +/-
+            the plane_tolerance will be included and those outside of the
+            plane_tolerance will not be shown
+        source_kwargs : dict
+            Keyword arguments passed to :func:`matplotlib.pyplot.scatter`.
+        **kwargs
+            Keyword arguments passed to :func:`openmc.Universe.plot`
+
+        Returns
+        -------
+        matplotlib.axes.Axes
+            Axes containing resulting image
+        """
+
+        check_type('n_samples', n_samples, int | None)
+        check_type('plane_tolerance', plane_tolerance, float)
+        if source_kwargs is None:
+            source_kwargs = {}
+        source_kwargs.setdefault('marker', 'x')
+
+        ax = self.geometry.plot(**kwargs)
+        if n_samples:
+            # Sample external source particles
+            particles = self.sample_external_source(n_samples)
+
+            # Determine plotting parameters and bounding box of geometry
+            bbox = self.geometry.bounding_box
+            origin = kwargs.get('origin', None)
+            basis = kwargs.get('basis', 'xy')
+            indices = {'xy': (0, 1, 2), 'xz': (0, 2, 1), 'yz': (1, 2, 0)}[basis]
+
+            # Infer origin if not provided
+            if np.isinf(bbox.extent[basis]).any():
+                if origin is None:
+                    origin = (0, 0, 0)
+            else:
+                if origin is None:
+                    # if nan values in the bbox.center they get replaced with 0.0
+                    # this happens when the bounding_box contains inf values
+                    with warnings.catch_warnings():
+                        warnings.simplefilter("ignore", RuntimeWarning)
+                        origin = np.nan_to_num(bbox.center)
+
+            slice_index = indices[2]
+            slice_value = origin[slice_index]
+
+            xs = []
+            ys = []
+            tol = plane_tolerance
+            for particle in particles:
+                if (slice_value - tol < particle.r[slice_index] < slice_value + tol):
+                    xs.append(particle.r[indices[0]])
+                    ys.append(particle.r[indices[1]])
+            ax.scatter(xs, ys, **source_kwargs)
+        return ax
+
+    def sample_external_source(
+            self,
+            n_samples: int = 1000,
+            prn_seed: int | None = None,
+            **init_kwargs
+    ) -> list[openmc.SourceParticle]:
+        """Sample external source and return source particles.
+
+        .. versionadded:: 0.15.1
+
+        Parameters
+        ----------
+        n_samples : int
+            Number of samples
+        prn_seed : int
+            Pseudorandom number generator (PRNG) seed; if None, one will be
+            generated randomly.
+        **init_kwargs
+            Keyword arguments passed to :func:`openmc.lib.init`
+
+        Returns
+        -------
+        list of openmc.SourceParticle
+            List of samples source particles
+        """
+        import openmc.lib
+
+        # Silence output by default. Also set arguments to start in volume
+        # calculation mode to avoid loading cross sections
+        init_kwargs.setdefault('output', False)
+        init_kwargs.setdefault('args', ['-c'])
+
+        with change_directory(tmpdir=True):
+            # Export model within temporary directory
+            self.export_to_model_xml()
+
+            # Sample external source sites
+            with openmc.lib.run_in_memory(**init_kwargs):
+                return openmc.lib.sample_external_source(
+                    n_samples=n_samples, prn_seed=prn_seed
+                )
+
     def plot_geometry(self, output=True, cwd='.', openmc_exec='openmc'):
         """Creates plot images as specified by the Model.plots attribute
 
diff --git a/openmc/universe.py b/openmc/universe.py
index 9fab9ae51..d424c243b 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -1,3 +1,4 @@
+from __future__ import annotations
 import math
 from abc import ABC, abstractmethod
 from collections.abc import Iterable
@@ -230,7 +231,7 @@ class Universe(UniverseBase):
         return self._cells
 
     @property
-    def bounding_box(self):
+    def bounding_box(self) -> openmc.BoundingBox:
         regions = [c.region for c in self.cells.values()
                    if c.region is not None]
         if regions:
diff --git a/tests/unit_tests/test_model.py b/tests/unit_tests/test_model.py
index 404235bef..4b567c56d 100644
--- a/tests/unit_tests/test_model.py
+++ b/tests/unit_tests/test_model.py
@@ -591,3 +591,32 @@ def test_single_xml_exec(run_in_tmpdir):
 
     os.mkdir('subdir')
     pincell_model.run(path='subdir')
+
+
+def test_model_plot():
+    # plots the geometry with source location and checks the resulting
+    # matplotlib includes the correct coordinates for the scatter plot for all
+    # basis.
+
+    surface = openmc.Sphere(r=600, boundary_type="vacuum")
+    cell = openmc.Cell(region=-surface)
+    geometry = openmc.Geometry([cell])
+    source = openmc.IndependentSource(space=openmc.stats.Point((1, 2, 3)))
+    settings = openmc.Settings(particles=1, batches=1, source=source)
+    model = openmc.Model(geometry, settings=settings)
+
+    plot = model.plot(n_samples=1, plane_tolerance=4.0, basis="xy")
+    coords = plot.axes.collections[0].get_offsets().data.flatten()
+    assert (coords == np.array([1.0, 2.0])).all()
+
+    plot = model.plot(n_samples=1, plane_tolerance=4.0, basis="xz")
+    coords = plot.axes.collections[0].get_offsets().data.flatten()
+    assert (coords == np.array([1.0, 3.0])).all()
+
+    plot = model.plot(n_samples=1, plane_tolerance=4.0, basis="yz")
+    coords = plot.axes.collections[0].get_offsets().data.flatten()
+    assert (coords == np.array([2.0, 3.0])).all()
+
+    plot = model.plot(n_samples=1, plane_tolerance=0.1, basis="xy")
+    coords = plot.axes.collections[0].get_offsets().data.flatten()
+    assert (coords == np.array([])).all()

From 1645e3bb8719e299a574bf4bac268691abab2f10 Mon Sep 17 00:00:00 2001
From: azimG <azimgivron@yahoo.com>
Date: Fri, 27 Sep 2024 02:31:59 +0200
Subject: [PATCH 2154/2654] Mat ids reset (#3125)

Co-authored-by: azimgivron <azimgivron@gmail.com>
Co-authored-by: azim_givron <a.givron@naarea.fr>
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/deplete/independent_operator.py        |  1 -
 openmc/deplete/openmc_operator.py             |  5 ----
 openmc/mixin.py                               |  9 +++++--
 tests/regression_tests/__init__.py            | 11 +++++++++
 .../deplete_no_transport/test.py              | 24 ++++---------------
 .../deplete_with_transfer_rates/test.py       |  6 +++--
 tests/unit_tests/test_deplete_decay.py        |  7 +++---
 .../unit_tests/test_deplete_transfer_rates.py |  1 +
 8 files changed, 31 insertions(+), 33 deletions(-)

diff --git a/openmc/deplete/independent_operator.py b/openmc/deplete/independent_operator.py
index 759abde13..cc1a05bd9 100644
--- a/openmc/deplete/independent_operator.py
+++ b/openmc/deplete/independent_operator.py
@@ -244,7 +244,6 @@ class IndependentOperator(OpenMCOperator):
         """Puts nuclide list into an openmc.Materials object.
 
         """
-        openmc.reset_auto_ids()
         mat = openmc.Material()
         if nuc_units == 'atom/b-cm':
             for nuc, conc in nuclides.items():
diff --git a/openmc/deplete/openmc_operator.py b/openmc/deplete/openmc_operator.py
index c0ff568bc..5837cd2c1 100644
--- a/openmc/deplete/openmc_operator.py
+++ b/openmc/deplete/openmc_operator.py
@@ -146,8 +146,6 @@ class OpenMCOperator(TransportOperator):
         # Determine which nuclides have cross section data
         # This nuclides variables contains every nuclides
         # for which there is an entry in the micro_xs parameter
-        openmc.reset_auto_ids()
-
         self.nuclides_with_data = self._get_nuclides_with_data(
             self.cross_sections)
 
@@ -396,9 +394,6 @@ class OpenMCOperator(TransportOperator):
         self.number.set_density(vec)
         self._update_materials()
 
-        # Prevent OpenMC from complaining about re-creating tallies
-        openmc.reset_auto_ids()
-
         # Update tally nuclides data in preparation for transport solve
         nuclides = self._get_reaction_nuclides()
         self._rate_helper.nuclides = nuclides
diff --git a/openmc/mixin.py b/openmc/mixin.py
index 31c26ec76..0bc4128b0 100644
--- a/openmc/mixin.py
+++ b/openmc/mixin.py
@@ -72,12 +72,17 @@ class IDManagerMixin:
                 cls.used_ids.add(uid)
             self._id = uid
 
+    @classmethod
+    def reset_ids(cls):
+        """Reset counters"""
+        cls.used_ids.clear()
+        cls.next_id = 1
+
 
 def reset_auto_ids():
     """Reset counters for all auto-generated IDs"""
     for cls in IDManagerMixin.__subclasses__():
-        cls.used_ids.clear()
-        cls.next_id = 1
+        cls.reset_ids()
 
 
 def reserve_ids(ids, cls=None):
diff --git a/tests/regression_tests/__init__.py b/tests/regression_tests/__init__.py
index ba48fc01e..e1cb56f1d 100644
--- a/tests/regression_tests/__init__.py
+++ b/tests/regression_tests/__init__.py
@@ -12,6 +12,17 @@ config = {
 }
 
 
+def assert_same_mats(res_ref, res_test):
+    for mat in res_ref[0].index_mat:
+        assert mat in res_test[0].index_mat, f"Material {mat} not in new results."
+    for nuc in res_ref[0].index_nuc:
+        assert nuc in res_test[0].index_nuc, f"Nuclide {nuc} not in new results."
+    for mat in res_test[0].index_mat:
+        assert mat in res_ref[0].index_mat, f"Material {mat} not in old results."
+    for nuc in res_test[0].index_nuc:
+        assert nuc in res_ref[0].index_nuc, f"Nuclide {nuc} not in old results."
+
+
 def assert_atoms_equal(res_ref, res_test, tol=1e-5):
     for mat in res_test[0].index_mat:
         for nuc in res_test[0].index_nuc:
diff --git a/tests/regression_tests/deplete_no_transport/test.py b/tests/regression_tests/deplete_no_transport/test.py
index 54c29cd5b..63ae584e1 100644
--- a/tests/regression_tests/deplete_no_transport/test.py
+++ b/tests/regression_tests/deplete_no_transport/test.py
@@ -10,7 +10,7 @@ import openmc.deplete
 from openmc.deplete import IndependentOperator, MicroXS
 
 from tests.regression_tests import config, assert_atoms_equal, \
-    assert_reaction_rates_equal
+    assert_reaction_rates_equal, assert_same_mats
 
 
 @pytest.fixture(scope="module")
@@ -101,7 +101,7 @@ def test_against_self(run_in_tmpdir,
     res_ref = openmc.deplete.Results(path_reference)
 
     # Assert same mats
-    _assert_same_mats(res_test, res_ref)
+    assert_same_mats(res_ref, res_test)
 
     tol = 1.0e-14
     assert_atoms_equal(res_ref, res_test, tol)
@@ -155,7 +155,7 @@ def test_against_coupled(run_in_tmpdir,
     res_ref = openmc.deplete.Results(path_reference)
 
     # Assert same mats
-    _assert_same_mats(res_test, res_ref)
+    assert_same_mats(res_test, res_ref)
 
     assert_atoms_equal(res_ref, res_test, atom_tol)
     assert_reaction_rates_equal(res_ref, res_test, rx_tol)
@@ -172,6 +172,7 @@ def _create_operator(from_nuclides,
         for nuc, dens in fuel.get_nuclide_atom_densities().items():
             nuclides[nuc] = dens
 
+        openmc.reset_auto_ids()
         op = IndependentOperator.from_nuclides(fuel.volume,
                                                nuclides,
                                                flux,
@@ -187,20 +188,3 @@ def _create_operator(from_nuclides,
                                  normalization_mode=normalization_mode)
 
     return op
-
-
-def _assert_same_mats(res_ref, res_test):
-    for mat in res_ref[0].index_mat:
-        assert mat in res_test[0].index_mat, \
-            f"Material {mat} not in new results."
-    for nuc in res_ref[0].index_nuc:
-        assert nuc in res_test[0].index_nuc, \
-            f"Nuclide {nuc} not in new results."
-
-    for mat in res_test[0].index_mat:
-        assert mat in res_ref[0].index_mat, \
-            f"Material {mat} not in old results."
-    for nuc in res_test[0].index_nuc:
-        assert nuc in res_ref[0].index_nuc, \
-            f"Nuclide {nuc} not in old results."
-
diff --git a/tests/regression_tests/deplete_with_transfer_rates/test.py b/tests/regression_tests/deplete_with_transfer_rates/test.py
index 9bd5a052b..10d60866a 100644
--- a/tests/regression_tests/deplete_with_transfer_rates/test.py
+++ b/tests/regression_tests/deplete_with_transfer_rates/test.py
@@ -11,11 +11,12 @@ import openmc.deplete
 from openmc.deplete import CoupledOperator
 
 from tests.regression_tests import config, assert_reaction_rates_equal, \
-    assert_atoms_equal
+    assert_atoms_equal, assert_same_mats
 
 
 @pytest.fixture
 def model():
+    openmc.reset_auto_ids()
     f = openmc.Material(name="f")
     f.add_element("U", 1, percent_type="ao", enrichment=4.25)
     f.add_element("O", 2)
@@ -66,7 +67,7 @@ def test_transfer_rates(run_in_tmpdir, model, rate, dest_mat, power, ref_result)
     integrator = openmc.deplete.PredictorIntegrator(
         op, [1], power, timestep_units = 'd')
     integrator.add_transfer_rate('f', transfer_elements, rate,
-                                destination_material=dest_mat)
+                                 destination_material=dest_mat)
     integrator.integrate()
 
     # Get path to test and reference results
@@ -82,5 +83,6 @@ def test_transfer_rates(run_in_tmpdir, model, rate, dest_mat, power, ref_result)
     res_ref = openmc.deplete.Results(path_reference)
     res_test = openmc.deplete.Results(path_test)
 
+    assert_same_mats(res_ref, res_test)
     assert_atoms_equal(res_ref, res_test, 1e-6)
     assert_reaction_rates_equal(res_ref, res_test)
diff --git a/tests/unit_tests/test_deplete_decay.py b/tests/unit_tests/test_deplete_decay.py
index aca812560..cebbc16fa 100644
--- a/tests/unit_tests/test_deplete_decay.py
+++ b/tests/unit_tests/test_deplete_decay.py
@@ -40,8 +40,9 @@ def test_deplete_decay_products(run_in_tmpdir):
 
     # Get concentration of H1 and He4
     results = openmc.deplete.Results('depletion_results.h5')
-    _, h1 = results.get_atoms("1", "H1")
-    _, he4 = results.get_atoms("1", "He4")
+    mat_id = op.materials[0].id
+    _, h1 = results.get_atoms(f"{mat_id}", "H1")
+    _, he4 = results.get_atoms(f"{mat_id}", "He4")
 
     # Since we started with 1e24 atoms of Li5, we should have 1e24 atoms of both
     # H1 and He4
@@ -78,6 +79,6 @@ def test_deplete_decay_step_fissionable(run_in_tmpdir):
 
     # Get concentration of U238. It should be unchanged since this chain has no U238 decay.
     results = openmc.deplete.Results('depletion_results.h5')
-    _, u238 = results.get_atoms("1", "U238")
+    _, u238 = results.get_atoms(f"{mat.id}", "U238")
 
     assert u238[1] == pytest.approx(original_atoms)
diff --git a/tests/unit_tests/test_deplete_transfer_rates.py b/tests/unit_tests/test_deplete_transfer_rates.py
index 847606be4..140777cd6 100644
--- a/tests/unit_tests/test_deplete_transfer_rates.py
+++ b/tests/unit_tests/test_deplete_transfer_rates.py
@@ -71,6 +71,7 @@ def model():
 def test_get_set(model, case_name, transfer_rates):
     """Tests the get/set methods"""
 
+    openmc.reset_auto_ids()
     op = CoupledOperator(model, CHAIN_PATH)
     transfer = TransferRates(op, model)
 

From b54de4d76176c43ebb2edee3ddbc78e709b3c910 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 2 Oct 2024 12:12:44 -0500
Subject: [PATCH 2155/2654] Fix check for trigger score name (#3155)

---
 src/tallies/tally.cpp             |  2 +-
 tests/unit_tests/test_triggers.py | 31 +++++++++++++++++++++++++++++++
 2 files changed, 32 insertions(+), 1 deletion(-)

diff --git a/src/tallies/tally.cpp b/src/tallies/tally.cpp
index 674987b8f..ba899611c 100644
--- a/src/tallies/tally.cpp
+++ b/src/tallies/tally.cpp
@@ -714,7 +714,7 @@ void Tally::init_triggers(pugi::xml_node node)
       } else {
         int i_score = 0;
         for (; i_score < this->scores_.size(); ++i_score) {
-          if (reaction_name(this->scores_[i_score]) == score_str)
+          if (this->scores_[i_score] == reaction_type(score_str))
             break;
         }
         if (i_score == this->scores_.size()) {
diff --git a/tests/unit_tests/test_triggers.py b/tests/unit_tests/test_triggers.py
index 6b9e54eeb..14bda0cce 100644
--- a/tests/unit_tests/test_triggers.py
+++ b/tests/unit_tests/test_triggers.py
@@ -113,3 +113,34 @@ def test_tally_trigger_zero_ignored(run_in_tmpdir):
         total_batches = sp.n_realizations + sp.n_inactive
         assert total_batches < pincell.settings.trigger_max_batches
 
+
+
+def test_trigger_he3_production(run_in_tmpdir):
+    li6 = openmc.Material()
+    li6.set_density('g/cm3', 1.0)
+    li6.add_nuclide('Li6', 1.0)
+
+    sph = openmc.Sphere(r=20, boundary_type='vacuum')
+    outer_cell = openmc.Cell(fill=li6, region=-sph)
+    model = openmc.Model()
+    model.geometry = openmc.Geometry([outer_cell])
+    model.settings.source = openmc.IndependentSource(
+        energy=openmc.stats.delta_function(14.1e6)
+    )
+    model.settings.batches = 10
+    model.settings.particles = 100
+    model.settings.run_mode = 'fixed source'
+    model.settings.trigger_active = True
+    model.settings.trigger_batch_interval = 10
+    model.settings.trigger_max_batches = 30
+
+    # Define tally with trigger
+    trigger = openmc.Trigger(trigger_type='rel_err', threshold=0.0001)
+    trigger.scores = ['He3-production']
+    he3_production_tally = openmc.Tally()
+    he3_production_tally.scores = ['He3-production']
+    he3_production_tally.triggers = [trigger]
+    model.tallies = openmc.Tallies([he3_production_tally])
+
+    # Run model to verify that trigger works
+    model.run()

From 9686851e7a1bf1dc49ad313673829bbbabd3945e Mon Sep 17 00:00:00 2001
From: Zoe Prieto <101403129+zoeprieto@users.noreply.github.com>
Date: Thu, 3 Oct 2024 19:32:03 -0300
Subject: [PATCH 2156/2654] Write surface source files per batch (#3124)

Co-authored-by: Patrick Shriwise <pshriwise@gmail.com>
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 docs/source/io_formats/settings.rst           |  9 +++
 docs/source/usersguide/settings.rst           | 11 ++++
 include/openmc/settings.h                     | 15 +++--
 include/openmc/simulation.h                   |  1 +
 include/openmc/state_point.h                  |  8 ++-
 openmc/settings.py                            | 13 ++--
 src/finalize.cpp                              |  5 ++
 src/settings.cpp                              | 13 +++-
 src/simulation.cpp                            | 60 +++++++++++--------
 src/state_point.cpp                           | 20 ++++++-
 tests/regression_tests/dagmc/legacy/test.py   |  3 +-
 tests/regression_tests/surface_source/test.py |  2 +-
 .../surface_source_write/test.py              |  2 +-
 tests/unit_tests/test_surface_source_write.py | 53 ++++++++++++++++
 14 files changed, 167 insertions(+), 48 deletions(-)

diff --git a/docs/source/io_formats/settings.rst b/docs/source/io_formats/settings.rst
index e395ada68..2c6c32656 100644
--- a/docs/source/io_formats/settings.rst
+++ b/docs/source/io_formats/settings.rst
@@ -923,6 +923,15 @@ attributes/sub-elements:
 
     *Default*: None
 
+  :max_source_files:
+    An integer value indicating the number of surface source files to be written
+    containing the maximum number of particles each. The surface source bank
+    will be cleared in simulation memory each time a surface source file is
+    written. By default a ``surface_source.h5`` file will be created when the
+    maximum number of saved particles is reached.
+
+    *Default*: 1
+
   :mcpl:
     An optional boolean which indicates if the banked particles should be
     written to a file in the MCPL_-format instead of the native HDF5-based
diff --git a/docs/source/usersguide/settings.rst b/docs/source/usersguide/settings.rst
index d73d90cbb..4111481a9 100644
--- a/docs/source/usersguide/settings.rst
+++ b/docs/source/usersguide/settings.rst
@@ -336,6 +336,17 @@ or particles going to a cell::
 .. note:: The ``cell``, ``cellfrom`` and ``cellto`` attributes cannot be
           used simultaneously.
 
+To generate more than one surface source files when the maximum number of stored
+particles is reached, ``max_source_files`` is available. The surface source bank
+will be cleared in simulation memory each time a surface source file is written.
+As an example, to write a maximum of three surface source files:::
+
+  settings.surf_source_write = {
+      'surfaces_ids': [1, 2, 3],
+      'max_particles': 10000,
+      'max_source_files': 3
+  }
+
 .. _compiled_source:
 
 Compiled Sources
diff --git a/include/openmc/settings.h b/include/openmc/settings.h
index a95f1ced9..1e44c0880 100644
--- a/include/openmc/settings.h
+++ b/include/openmc/settings.h
@@ -129,14 +129,17 @@ extern std::unordered_set<int>
   statepoint_batch; //!< Batches when state should be written
 extern std::unordered_set<int>
   source_write_surf_id; //!< Surface ids where sources will be written
+
 extern int
   max_history_splits; //!< maximum number of particle splits for weight windows
-extern int64_t max_surface_particles; //!< maximum number of particles to be
-                                      //!< banked on surfaces per process
-extern int64_t ssw_cell_id;           //!< Cell id for the surface source
-                                      //!< write setting
-extern SSWCellType ssw_cell_type;     //!< Type of option for the cell
-                                      //!< argument of surface source write
+extern int64_t ssw_max_particles; //!< maximum number of particles to be
+                                  //!< banked on surfaces per process
+extern int64_t ssw_max_files;     //!< maximum number of surface source files
+                                  //!<  to be created
+extern int64_t ssw_cell_id;       //!< Cell id for the surface source
+                                  //!< write setting
+extern SSWCellType ssw_cell_type; //!< Type of option for the cell
+                                  //!< argument of surface source write
 extern TemperatureMethod
   temperature_method; //!< method for choosing temperatures
 extern double
diff --git a/include/openmc/simulation.h b/include/openmc/simulation.h
index dd8bb7cdf..3e4e24e1d 100644
--- a/include/openmc/simulation.h
+++ b/include/openmc/simulation.h
@@ -37,6 +37,7 @@ extern "C" int n_lost_particles;   //!< cumulative number of lost particles
 extern "C" bool need_depletion_rx; //!< need to calculate depletion rx?
 extern "C" int restart_batch;      //!< batch at which a restart job resumed
 extern "C" bool satisfy_triggers;  //!< have tally triggers been satisfied?
+extern int ssw_current_file;       //!< current surface source file
 extern "C" int total_gen;          //!< total number of generations simulated
 extern double total_weight;        //!< Total source weight in a batch
 extern int64_t work_per_rank;      //!< number of particles per MPI rank
diff --git a/include/openmc/state_point.h b/include/openmc/state_point.h
index 95524f6b6..f0d41e169 100644
--- a/include/openmc/state_point.h
+++ b/include/openmc/state_point.h
@@ -2,6 +2,7 @@
 #define OPENMC_STATE_POINT_H
 
 #include <cstdint>
+#include <string>
 
 #include <gsl/gsl-lite.hpp>
 
@@ -33,8 +34,11 @@ void load_state_point();
 // values on each rank, used to create global indexing. This vector
 // can be created by calling calculate_parallel_index_vector on
 // source_bank.size() if such a vector is not already available.
-void write_source_point(const char* filename, gsl::span<SourceSite> source_bank,
-  const vector<int64_t>& bank_index);
+void write_h5_source_point(const char* filename,
+  gsl::span<SourceSite> source_bank, const vector<int64_t>& bank_index);
+
+void write_source_point(std::string, gsl::span<SourceSite> source_bank,
+  const vector<int64_t>& bank_index, bool use_mcpl);
 
 // This appends a source bank specification to an HDF5 file
 // that's already open. It is used internally by write_source_point.
diff --git a/openmc/settings.py b/openmc/settings.py
index ddaac0401..96e6368e4 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -211,6 +211,7 @@ class Settings:
                    banked (int)
         :max_particles: Maximum number of particles to be banked on surfaces per
                    process (int)
+        :max_source_files: Maximum number of surface source files to be created (int)
         :mcpl: Output in the form of an MCPL-file (bool)
         :cell: Cell ID used to determine if particles crossing identified
                surfaces are to be banked. Particles coming from or going to this
@@ -718,7 +719,7 @@ class Settings:
             cv.check_value(
                 "surface source writing key",
                 key,
-                ("surface_ids", "max_particles", "mcpl", "cell", "cellfrom", "cellto"),
+                ("surface_ids", "max_particles", "max_source_files", "mcpl", "cell", "cellfrom", "cellto"),
             )
             if key == "surface_ids":
                 cv.check_type(
@@ -726,11 +727,13 @@ class Settings:
                 )
                 for surf_id in value:
                     cv.check_greater_than("surface id for source banking", surf_id, 0)
+
             elif key == "mcpl":
                 cv.check_type("write to an MCPL-format file", value, bool)
-            elif key in ("max_particles", "cell", "cellfrom", "cellto"):
+            elif key in ("max_particles", "max_source_files", "cell", "cellfrom", "cellto"):
                 name = {
                     "max_particles": "maximum particle banks on surfaces per process",
+                    "max_source_files": "maximun surface source files to be written",
                     "cell": "Cell ID for source banking (from or to)",
                     "cellfrom": "Cell ID for source banking (from only)",
                     "cellto": "Cell ID for source banking (to only)",
@@ -1251,7 +1254,7 @@ class Settings:
             if "mcpl" in self._surf_source_write:
                 subelement = ET.SubElement(element, "mcpl")
                 subelement.text = str(self._surf_source_write["mcpl"]).lower()
-            for key in ("max_particles", "cell", "cellfrom", "cellto"):
+            for key in ("max_particles", "max_source_files", "cell", "cellfrom", "cellto"):
                 if key in self._surf_source_write:
                     subelement = ET.SubElement(element, key)
                     subelement.text = str(self._surf_source_write[key])
@@ -1650,14 +1653,14 @@ class Settings:
         elem = root.find('surf_source_write')
         if elem is None:
             return
-        for key in ('surface_ids', 'max_particles', 'mcpl', 'cell', 'cellto', 'cellfrom'):
+        for key in ('surface_ids', 'max_particles', 'max_source_files', 'mcpl', 'cell', 'cellto', 'cellfrom'):
             value = get_text(elem, key)
             if value is not None:
                 if key == 'surface_ids':
                     value = [int(x) for x in value.split()]
                 elif key == 'mcpl':
                     value = value in ('true', '1')
-                elif key in ('max_particles', 'cell', 'cellfrom', 'cellto'):
+                elif key in ('max_particles', 'max_source_files', 'cell', 'cellfrom', 'cellto'):
                     value = int(value)
                 self.surf_source_write[key] = value
 
diff --git a/src/finalize.cpp b/src/finalize.cpp
index 2bde0e338..08c2fced3 100644
--- a/src/finalize.cpp
+++ b/src/finalize.cpp
@@ -120,6 +120,10 @@ int openmc_finalize()
   settings::source_latest = false;
   settings::source_separate = false;
   settings::source_write = true;
+  settings::ssw_cell_id = C_NONE;
+  settings::ssw_cell_type = SSWCellType::None;
+  settings::ssw_max_particles = 0;
+  settings::ssw_max_files = 1;
   settings::survival_biasing = false;
   settings::temperature_default = 293.6;
   settings::temperature_method = TemperatureMethod::NEAREST;
@@ -141,6 +145,7 @@ int openmc_finalize()
 
   simulation::keff = 1.0;
   simulation::need_depletion_rx = false;
+  simulation::ssw_current_file = 1;
   simulation::total_gen = 0;
 
   simulation::entropy_mesh = nullptr;
diff --git a/src/settings.cpp b/src/settings.cpp
index ba451e219..3a905bdf9 100644
--- a/src/settings.cpp
+++ b/src/settings.cpp
@@ -118,7 +118,8 @@ SolverType solver_type {SolverType::MONTE_CARLO};
 std::unordered_set<int> sourcepoint_batch;
 std::unordered_set<int> statepoint_batch;
 std::unordered_set<int> source_write_surf_id;
-int64_t max_surface_particles;
+int64_t ssw_max_particles;
+int64_t ssw_max_files;
 int64_t ssw_cell_id {C_NONE};
 SSWCellType ssw_cell_type {SSWCellType::None};
 TemperatureMethod temperature_method {TemperatureMethod::NEAREST};
@@ -799,14 +800,20 @@ void read_settings_xml(pugi::xml_node root)
 
     // Get maximum number of particles to be banked per surface
     if (check_for_node(node_ssw, "max_particles")) {
-      max_surface_particles =
-        std::stoll(get_node_value(node_ssw, "max_particles"));
+      ssw_max_particles = std::stoll(get_node_value(node_ssw, "max_particles"));
     } else {
       fatal_error("A maximum number of particles needs to be specified "
                   "using the 'max_particles' parameter to store surface "
                   "source points.");
     }
 
+    // Get maximum number of surface source files to be created
+    if (check_for_node(node_ssw, "max_source_files")) {
+      ssw_max_files = std::stoll(get_node_value(node_ssw, "max_source_files"));
+    } else {
+      ssw_max_files = 1;
+    }
+
     if (check_for_node(node_ssw, "mcpl")) {
       surf_mcpl_write = get_node_value_bool(node_ssw, "mcpl");
 
diff --git a/src/simulation.cpp b/src/simulation.cpp
index be03e4855..09b376473 100644
--- a/src/simulation.cpp
+++ b/src/simulation.cpp
@@ -117,6 +117,7 @@ int openmc_simulation_init()
   // Reset global variables -- this is done before loading state point (as that
   // will potentially populate k_generation and entropy)
   simulation::current_batch = 0;
+  simulation::ssw_current_file = 1;
   simulation::k_generation.clear();
   simulation::entropy.clear();
   openmc_reset();
@@ -308,6 +309,7 @@ int n_lost_particles {0};
 bool need_depletion_rx {false};
 int restart_batch;
 bool satisfy_triggers {false};
+int ssw_current_file;
 int total_gen {0};
 double total_weight;
 int64_t work_per_rank;
@@ -337,7 +339,7 @@ void allocate_banks()
 
   if (settings::surf_source_write) {
     // Allocate surface source bank
-    simulation::surf_source_bank.reserve(settings::max_surface_particles);
+    simulation::surf_source_bank.reserve(settings::ssw_max_particles);
   }
 }
 
@@ -345,7 +347,6 @@ void initialize_batch()
 {
   // Increment current batch
   ++simulation::current_batch;
-
   if (settings::run_mode == RunMode::FIXED_SOURCE) {
     if (settings::solver_type == SolverType::RANDOM_RAY &&
         simulation::current_batch < settings::n_inactive + 1) {
@@ -439,42 +440,49 @@ void finalize_batch()
       std::string source_point_filename = fmt::format("{0}source.{1:0{2}}",
         settings::path_output, simulation::current_batch, w);
       gsl::span<SourceSite> bankspan(simulation::source_bank);
-      if (settings::source_mcpl_write) {
-        write_mcpl_source_point(
-          source_point_filename.c_str(), bankspan, simulation::work_index);
-      } else {
-        write_source_point(
-          source_point_filename.c_str(), bankspan, simulation::work_index);
-      }
+      write_source_point(source_point_filename, bankspan,
+        simulation::work_index, settings::source_mcpl_write);
     }
 
     // Write a continously-overwritten source point if requested.
     if (settings::source_latest) {
-
       // note: correct file extension appended automatically
       auto filename = settings::path_output + "source";
       gsl::span<SourceSite> bankspan(simulation::source_bank);
-      if (settings::source_mcpl_write) {
-        write_mcpl_source_point(
-          filename.c_str(), bankspan, simulation::work_index);
-      } else {
-        write_source_point(filename.c_str(), bankspan, simulation::work_index);
-      }
+      write_source_point(filename.c_str(), bankspan, simulation::work_index,
+        settings::source_mcpl_write);
     }
   }
 
   // Write out surface source if requested.
   if (settings::surf_source_write &&
-      simulation::current_batch == settings::n_batches) {
-    auto filename = settings::path_output + "surface_source";
-    auto surf_work_index =
-      mpi::calculate_parallel_index_vector(simulation::surf_source_bank.size());
-    gsl::span<SourceSite> surfbankspan(simulation::surf_source_bank.begin(),
-      simulation::surf_source_bank.size());
-    if (settings::surf_mcpl_write) {
-      write_mcpl_source_point(filename.c_str(), surfbankspan, surf_work_index);
-    } else {
-      write_source_point(filename.c_str(), surfbankspan, surf_work_index);
+      simulation::ssw_current_file <= settings::ssw_max_files) {
+    bool last_batch = (simulation::current_batch == settings::n_batches);
+    if (simulation::surf_source_bank.full() || last_batch) {
+      // Determine appropriate filename
+      auto filename = fmt::format("{}surface_source.{}", settings::path_output,
+        simulation::current_batch);
+      if (settings::ssw_max_files == 1 ||
+          (simulation::ssw_current_file == 1 && last_batch)) {
+        filename = settings::path_output + "surface_source";
+      }
+
+      // Get span of source bank and calculate parallel index vector
+      auto surf_work_index = mpi::calculate_parallel_index_vector(
+        simulation::surf_source_bank.size());
+      gsl::span<SourceSite> surfbankspan(simulation::surf_source_bank.begin(),
+        simulation::surf_source_bank.size());
+
+      // Write surface source file
+      write_source_point(
+        filename, surfbankspan, surf_work_index, settings::surf_mcpl_write);
+
+      // Reset surface source bank and increment counter
+      simulation::surf_source_bank.clear();
+      if (!last_batch && settings::ssw_max_files >= 1) {
+        simulation::surf_source_bank.reserve(settings::ssw_max_particles);
+      }
+      ++simulation::ssw_current_file;
     }
   }
 }
diff --git a/src/state_point.cpp b/src/state_point.cpp
index c7b7d6ad8..adc026fa3 100644
--- a/src/state_point.cpp
+++ b/src/state_point.cpp
@@ -15,6 +15,7 @@
 #include "openmc/error.h"
 #include "openmc/file_utils.h"
 #include "openmc/hdf5_interface.h"
+#include "openmc/mcpl_interface.h"
 #include "openmc/mesh.h"
 #include "openmc/message_passing.h"
 #include "openmc/mgxs_interface.h"
@@ -568,8 +569,23 @@ hid_t h5banktype()
   return banktype;
 }
 
-void write_source_point(const char* filename, gsl::span<SourceSite> source_bank,
-  const vector<int64_t>& bank_index)
+void write_source_point(std::string filename, gsl::span<SourceSite> source_bank,
+  const vector<int64_t>& bank_index, bool use_mcpl)
+{
+  std::string ext = use_mcpl ? "mcpl" : "h5";
+  write_message("Creating source file {}.{} with {} particles ...", filename,
+    ext, source_bank.size(), 5);
+
+  // Dispatch to appropriate function based on file type
+  if (use_mcpl) {
+    write_mcpl_source_point(filename.c_str(), source_bank, bank_index);
+  } else {
+    write_h5_source_point(filename.c_str(), source_bank, bank_index);
+  }
+}
+
+void write_h5_source_point(const char* filename,
+  gsl::span<SourceSite> source_bank, const vector<int64_t>& bank_index)
 {
   // When using parallel HDF5, the file is written to collectively by all
   // processes. With MPI-only, the file is opened and written by the master
diff --git a/tests/regression_tests/dagmc/legacy/test.py b/tests/regression_tests/dagmc/legacy/test.py
index 884264f30..b6b1e376b 100644
--- a/tests/regression_tests/dagmc/legacy/test.py
+++ b/tests/regression_tests/dagmc/legacy/test.py
@@ -104,5 +104,4 @@ def test_surf_source(model):
 
 def test_dagmc(model):
     harness = PyAPITestHarness('statepoint.5.h5', model)
-    harness.main()
-
+    harness.main()
\ No newline at end of file
diff --git a/tests/regression_tests/surface_source/test.py b/tests/regression_tests/surface_source/test.py
index 81bba0c94..251e9e9ad 100644
--- a/tests/regression_tests/surface_source/test.py
+++ b/tests/regression_tests/surface_source/test.py
@@ -132,4 +132,4 @@ def test_surface_source_read(model):
     harness = SurfaceSourceTestHarness('statepoint.10.h5',
                                        model,
                                        'inputs_true_read.dat')
-    harness.main()
+    harness.main()
\ No newline at end of file
diff --git a/tests/regression_tests/surface_source_write/test.py b/tests/regression_tests/surface_source_write/test.py
index 38581736e..fe11d68a6 100644
--- a/tests/regression_tests/surface_source_write/test.py
+++ b/tests/regression_tests/surface_source_write/test.py
@@ -1129,4 +1129,4 @@ def test_surface_source_cell_dagmc(
     harness = SurfaceSourceWriteTestHarness(
         "statepoint.5.h5", model=model, workdir=folder
     )
-    harness.main()
+    harness.main()
\ No newline at end of file
diff --git a/tests/unit_tests/test_surface_source_write.py b/tests/unit_tests/test_surface_source_write.py
index 472363073..6f18d32b7 100644
--- a/tests/unit_tests/test_surface_source_write.py
+++ b/tests/unit_tests/test_surface_source_write.py
@@ -32,6 +32,7 @@ def geometry():
         {"max_particles": 200, "surface_ids": [2], "cell": 1},
         {"max_particles": 200, "surface_ids": [2], "cellto": 1},
         {"max_particles": 200, "surface_ids": [2], "cellfrom": 1},
+        {"max_particles": 200, "surface_ids": [2], "max_source_files": 1},
     ],
 )
 def test_xml_serialization(parameter, run_in_tmpdir):
@@ -44,6 +45,58 @@ def test_xml_serialization(parameter, run_in_tmpdir):
     assert read_settings.surf_source_write == parameter
 
 
+@pytest.fixture(scope="module")
+def model():
+    """Simple hydrogen sphere geometry"""
+    openmc.reset_auto_ids()
+    model = openmc.Model()
+
+    # Material
+    h1 = openmc.Material(name="H1")
+    h1.add_nuclide("H1", 1.0)
+    h1.set_density('g/cm3', 1e-7)
+
+    # Geometry
+    radius = 1.0
+    sphere = openmc.Sphere(r=radius, boundary_type="vacuum")
+    cell = openmc.Cell(region=-sphere, fill=h1)
+    model.geometry = openmc.Geometry([cell])
+
+    # Settings
+    model.settings = openmc.Settings()
+    model.settings.run_mode = "fixed source"
+    model.settings.particles = 100
+    model.settings.batches = 3
+    model.settings.seed = 1
+
+    distribution = openmc.stats.Point()
+    model.settings.source = openmc.IndependentSource(space=distribution)
+    return model
+
+
+@pytest.mark.parametrize(
+    "max_particles, max_source_files",
+    [
+        (100, 2),
+        (100, 3),
+        (100, 1),
+    ],
+)
+def test_number_surface_source_file_created(max_particles, max_source_files,
+                                            run_in_tmpdir, model):
+    """Check the number of surface source files written."""
+    model.settings.surf_source_write = {
+        "max_particles": max_particles,
+        "max_source_files": max_source_files
+    }
+    model.run()
+    should_be_numbered = max_source_files > 1
+    for i in range(1, max_source_files + 1):
+        if should_be_numbered:
+            assert Path(f"surface_source.{i}.h5").exists()
+    if not should_be_numbered:
+        assert Path("surface_source.h5").exists()
+
 ERROR_MSG_1 = (
     "A maximum number of particles needs to be specified "
     "using the 'max_particles' parameter to store surface "

From 3a5b218728e09fe802d031d96c0350f3414ce671 Mon Sep 17 00:00:00 2001
From: Rayan HADDAD <103775910+rayanhaddad169@users.noreply.github.com>
Date: Fri, 4 Oct 2024 01:13:18 +0200
Subject: [PATCH 2157/2654] adapt the openmc-update-inputs script for surfaces
 (#3131)

Co-authored-by: r.haddad <r.haddad@naarea.fr>
---
 scripts/openmc-update-inputs | 16 ++++++++++++----
 1 file changed, 12 insertions(+), 4 deletions(-)

diff --git a/scripts/openmc-update-inputs b/scripts/openmc-update-inputs
index 2d49c0626..5ee1f1ca0 100755
--- a/scripts/openmc-update-inputs
+++ b/scripts/openmc-update-inputs
@@ -1,7 +1,5 @@
 #!/usr/bin/env python3
-"""Update OpenMC's input XML files to the latest format.
-
-"""
+"""Update OpenMC's input XML files to the latest format."""
 
 import argparse
 from itertools import chain
@@ -201,6 +199,16 @@ def update_geometry(geometry_root):
 
         was_updated = True
 
+    for surface in root.findall('surface'):
+        for attribute in ['type', 'coeffs', 'boundary']:
+            if surface.find(attribute) is not None:
+                value = surface.find(attribute).text
+                surface.attrib[attribute] = value
+
+                child_element = surface.find(attribute)
+                surface.remove(child_element)
+                was_updated = True
+
     # Remove 'type' from lattice definitions.
     for lat in root.iter('lattice'):
         elem = lat.find('type')
@@ -296,4 +304,4 @@ if __name__ == '__main__':
             move(fname, fname + '.original')
 
             # Write a new geometry file.
-            tree.write(fname, xml_declaration=True)
+            tree.write(fname, xml_declaration=True)
\ No newline at end of file

From 836428666d5264343676bbb977b15bc67be45a3f Mon Sep 17 00:00:00 2001
From: rzehumat <49885819+rzehumat@users.noreply.github.com>
Date: Fri, 4 Oct 2024 02:51:12 +0200
Subject: [PATCH 2158/2654] [docs] theory on PCG random number generator
 (#3134)

Co-authored-by: Matej Rzehulka <matej.rzehulka@suro.cz>
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 docs/source/methods/random_numbers.rst | 43 ++++++++++++++++++--------
 src/random_lcg.cpp                     |  3 +-
 2 files changed, 32 insertions(+), 14 deletions(-)

diff --git a/docs/source/methods/random_numbers.rst b/docs/source/methods/random_numbers.rst
index 0cefc9156..4376bbdb0 100644
--- a/docs/source/methods/random_numbers.rst
+++ b/docs/source/methods/random_numbers.rst
@@ -7,7 +7,7 @@ Random Number Generation
 In order to sample probability distributions, one must be able to produce random
 numbers. The standard technique to do this is to generate numbers on the
 interval :math:`[0,1)` from a deterministic sequence that has properties that
-make it appear to be random, e.g. being uniformly distributed and not exhibiting
+make it appear to be random, e.g., being uniformly distributed and not exhibiting
 correlation between successive terms. Since the numbers produced this way are
 not truly "random" in a strict sense, they are typically referred to as
 pseudorandom numbers, and the techniques used to generate them are pseudorandom
@@ -15,6 +15,11 @@ number generators (PRNGs). Numbers sampled on the unit interval can then be
 transformed for the purpose of sampling other continuous or discrete probability
 distributions.
 
+There are many different algorithms for pseudorandom number generation. OpenMC
+currently uses `permuted congruential generator`_ (PCG), which builds on top of
+the simpler linear congruential generator (LCG). Both algorithms are described
+below.
+
 ------------------------------
 Linear Congruential Generators
 ------------------------------
@@ -37,8 +42,8 @@ be generated with a method chosen at random. Some theory should be used."
 Typically, :math:`M` is chosen to be a power of two as this enables :math:`x
 \mod M` to be performed using the bitwise AND operator with a bit mask. The
 constants for the linear congruential generator used by default in OpenMC are
-:math:`g = 2806196910506780709`, :math:`c = 1`, and :math:`M = 2^{63}` (see
-`L'Ecuyer`_).
+:math:`g = 2806196910506780709`, :math:`c = 1`, and :math:`M = 2^{63}` (from
+`L'Ecuyer <https://doi.org/10.1090/S0025-5718-99-00996-5>`_).
 
 Skip-ahead Capability
 ---------------------
@@ -50,7 +55,8 @@ want to skip ahead :math:`N` random numbers and :math:`N` is large, the cost of
 sampling :math:`N` random numbers to get to that position may be prohibitively
 expensive. Fortunately, algorithms have been developed that allow us to skip
 ahead in :math:`O(\log_2 N)` operations instead of :math:`O(N)`. One algorithm
-to do so is described in a paper by Brown_. This algorithm relies on the following
+to do so is described in a `paper by Brown
+<https://www.osti.gov/biblio/976209>`_. This algorithm relies on the following
 relationship:
 
 .. math::
@@ -58,15 +64,26 @@ relationship:
 
     \xi_{i+k} = g^k \xi_i + c \frac{g^k - 1}{g - 1} \mod M
 
-Note that equation :eq:`lcg-skipahead` has the same general form as equation :eq:`lcg`, so
-the idea is to determine the new multiplicative and additive constants in
-:math:`O(\log_2 N)` operations.
-
-.. only:: html
-
-   .. rubric:: References
+Note that equation :eq:`lcg-skipahead` has the same general form as equation
+:eq:`lcg`, so the idea is to determine the new multiplicative and additive
+constants in :math:`O(\log_2 N)` operations.
 
 
-.. _L'Ecuyer: https://doi.org/10.1090/S0025-5718-99-00996-5
-.. _Brown: https://laws.lanl.gov/vhosts/mcnp.lanl.gov/pdf_files/anl-rn-arb-stride.pdf
+--------------------------------
+Permuted Congruential Generators
+--------------------------------
+
+The `permuted congruential generator`_ (PCG) algorithm aims to improve upon the
+LCG algorithm by permuting the output. The algorithm works on the basic
+principle of first advancing the generator state using the LCG algorithm and
+then applying a permutation function on the LCG state to obtain the output. This
+results in increased statistical quality as measured by common statistical tests
+while exhibiting a very small performance overhead relative to the LCG algorithm
+and an equivalent memory footprint. For further details, see the original
+technical report by `O'Neill
+<https://www.pcg-random.org/pdf/hmc-cs-2014-0905.pdf>`_.  OpenMC uses the
+PCG-RXS-M-XS variant with a 64-bit state and 64-bit output.
+
 .. _linear congruential generator: https://en.wikipedia.org/wiki/Linear_congruential_generator
+
+.. _permuted congruential generator: https://en.wikipedia.org/wiki/Permuted_congruential_generator
diff --git a/src/random_lcg.cpp b/src/random_lcg.cpp
index 581d69617..ca4467719 100644
--- a/src/random_lcg.cpp
+++ b/src/random_lcg.cpp
@@ -17,7 +17,8 @@ constexpr uint64_t prn_stride {152917LL}; // stride between particles
 //==============================================================================
 
 // 64 bit implementation of the PCG-RXS-M-XS 64-bit state / 64-bit output
-// geneator Adapted from: https://github.com/imneme/pcg-c
+// geneator Adapted from: https://github.com/imneme/pcg-c, in particular
+// https://github.com/imneme/pcg-c/blob/83252d9c23df9c82ecb42210afed61a7b42402d7/include/pcg_variants.h#L188-L192
 // @techreport{oneill:pcg2014,
 //    title = "PCG: A Family of Simple Fast Space-Efficient Statistically Good
 //    Algorithms for Random Number Generation", author = "Melissa E. O'Neill",

From 1a520c9f4d598f96b4e6712fefa1d25b7d4da404 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Fri, 4 Oct 2024 03:37:51 +0200
Subject: [PATCH 2159/2654] Adding material.get_element_atom_densities  (#3103)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/data/data.py               | 20 +++++++++-----
 openmc/material.py                | 43 +++++++++++++++++++++++++++++++
 tests/unit_tests/test_material.py | 22 ++++++++++++++++
 3 files changed, 78 insertions(+), 7 deletions(-)

diff --git a/openmc/data/data.py b/openmc/data/data.py
index d94d6aaaa..408adf2e4 100644
--- a/openmc/data/data.py
+++ b/openmc/data/data.py
@@ -549,7 +549,18 @@ def gnds_name(Z, A, m=0):
     return f'{ATOMIC_SYMBOL[Z]}{A}'
 
 
-def isotopes(element):
+
+def _get_element_symbol(element: str) -> str:
+    if len(element) > 2:
+        symbol = ELEMENT_SYMBOL.get(element.lower())
+        if symbol is None:
+            raise ValueError(f'Element name "{element}" not recognized')
+        return symbol
+    else:
+        return element
+
+
+def isotopes(element: str) -> list[tuple[str, float]]:
     """Return naturally occurring isotopes and their abundances
 
     .. versionadded:: 0.12.1
@@ -570,12 +581,7 @@ def isotopes(element):
         If the element name is not recognized
 
     """
-    # Convert name to symbol if needed
-    if len(element) > 2:
-        symbol = ELEMENT_SYMBOL.get(element.lower())
-        if symbol is None:
-            raise ValueError(f'Element name "{element}" not recognised')
-        element = symbol
+    element = _get_element_symbol(element)
 
     # Get the nuclides present in nature
     result = []
diff --git a/openmc/material.py b/openmc/material.py
index 5b958c75a..f550fd649 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -18,6 +18,7 @@ from ._xml import clean_indentation, reorder_attributes
 from .mixin import IDManagerMixin
 from openmc.checkvalue import PathLike
 from openmc.stats import Univariate, Discrete, Mixture
+from openmc.data.data import _get_element_symbol
 
 
 # Units for density supported by OpenMC
@@ -1075,6 +1076,48 @@ class Material(IDManagerMixin):
 
         return nuclides
 
+    def get_element_atom_densities(self, element: str | None = None) -> dict[str, float]:
+        """Returns one or all elements in the material and their atomic
+        densities in units of atom/b-cm
+
+        .. versionadded:: 0.15.1
+
+        Parameters
+        ----------
+        element : str, optional
+            Element for which atom density is desired. If not specified, the
+            atom density for each element in the material is given.
+
+        Returns
+        -------
+        elements : dict
+            Dictionary whose keys are element names and values are densities in
+            [atom/b-cm]
+
+        """
+        if element is not None:
+            element = _get_element_symbol(element)
+
+        nuc_densities = self.get_nuclide_atom_densities()
+
+        # Initialize an empty dictionary for summed values
+        densities = {}
+
+        # Accumulate densities for each nuclide
+        for nuclide, density in nuc_densities.items():
+            nuc_element = openmc.data.ATOMIC_SYMBOL[openmc.data.zam(nuclide)[0]]
+            if element is None or element == nuc_element:
+                if nuc_element not in densities:
+                    densities[nuc_element] = 0.0
+                densities[nuc_element] += float(density)
+
+        # If specific element was requested, make sure it is present
+        if element is not None and element not in densities:
+                raise ValueError(f'Element {element} not found in material.')
+
+        return densities
+
+
     def get_activity(self, units: str = 'Bq/cm3', by_nuclide: bool = False,
                      volume: float | None = None) -> dict[str, float] | float:
         """Returns the activity of the material or for each nuclide in the
diff --git a/tests/unit_tests/test_material.py b/tests/unit_tests/test_material.py
index 44c0730fb..94ba82571 100644
--- a/tests/unit_tests/test_material.py
+++ b/tests/unit_tests/test_material.py
@@ -380,6 +380,28 @@ def test_get_nuclide_atom_densities_specific(uo2):
     assert all_nuc['O16'] == one_nuc['O16']
 
 
+def test_get_element_atom_densities(uo2):
+    for element, density in uo2.get_element_atom_densities().items():
+        assert element in ('U', 'O')
+        assert density > 0
+
+
+def test_get_element_atom_densities_specific(uo2):
+    one_nuc = uo2.get_element_atom_densities('O')
+    assert list(one_nuc.keys()) == ['O']
+    assert list(one_nuc.values())[0] > 0
+
+    one_nuc = uo2.get_element_atom_densities('uranium')
+    assert list(one_nuc.keys()) == ['U']
+    assert list(one_nuc.values())[0] > 0
+
+    with pytest.raises(ValueError, match='not found'):
+        uo2.get_element_atom_densities('Li')
+
+    with pytest.raises(ValueError, match='not recognized'):
+        uo2.get_element_atom_densities('proximium')
+
+
 def test_get_nuclide_atoms():
     mat = openmc.Material()
     mat.add_nuclide('Li6', 1.0)

From c285a2c4ce8a549a02f28acbce1836c11876b8ab Mon Sep 17 00:00:00 2001
From: Zoe Prieto <101403129+zoeprieto@users.noreply.github.com>
Date: Fri, 4 Oct 2024 02:07:03 -0300
Subject: [PATCH 2160/2654] Implement filter for cosine of angle of surface
 crossing (#2768)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 CMakeLists.txt                                |  1 +
 docs/source/pythonapi/base.rst                |  1 +
 include/openmc/tallies/filter.h               |  1 +
 include/openmc/tallies/filter_mu.h            |  2 +-
 include/openmc/tallies/filter_musurface.h     | 34 +++++++++++++++
 openmc/filter.py                              | 42 +++++++++++++++++-
 openmc/lib/filter.py                          | 11 +++--
 src/tallies/filter.cpp                        |  3 ++
 src/tallies/filter_musurface.cpp              | 36 ++++++++++++++++
 .../filter_musurface/__init__.py              |  0
 .../filter_musurface/inputs_true.dat          | 37 ++++++++++++++++
 .../filter_musurface/results_true.dat         | 11 +++++
 .../regression_tests/filter_musurface/test.py | 43 +++++++++++++++++++
 tests/unit_tests/test_filter_musurface.py     | 38 ++++++++++++++++
 14 files changed, 254 insertions(+), 6 deletions(-)
 create mode 100644 include/openmc/tallies/filter_musurface.h
 create mode 100644 src/tallies/filter_musurface.cpp
 create mode 100644 tests/regression_tests/filter_musurface/__init__.py
 create mode 100644 tests/regression_tests/filter_musurface/inputs_true.dat
 create mode 100644 tests/regression_tests/filter_musurface/results_true.dat
 create mode 100644 tests/regression_tests/filter_musurface/test.py
 create mode 100644 tests/unit_tests/test_filter_musurface.py

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 0f4cc1b52..b4011434e 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -416,6 +416,7 @@ list(APPEND libopenmc_SOURCES
   src/tallies/filter_meshborn.cpp
   src/tallies/filter_meshsurface.cpp
   src/tallies/filter_mu.cpp
+  src/tallies/filter_musurface.cpp
   src/tallies/filter_particle.cpp
   src/tallies/filter_polar.cpp
   src/tallies/filter_sph_harm.cpp
diff --git a/docs/source/pythonapi/base.rst b/docs/source/pythonapi/base.rst
index 5ae9f20ed..611d2c216 100644
--- a/docs/source/pythonapi/base.rst
+++ b/docs/source/pythonapi/base.rst
@@ -133,6 +133,7 @@ Constructing Tallies
    openmc.EnergyFilter
    openmc.EnergyoutFilter
    openmc.MuFilter
+   openmc.MuSurfaceFilter
    openmc.PolarFilter
    openmc.AzimuthalFilter
    openmc.DistribcellFilter
diff --git a/include/openmc/tallies/filter.h b/include/openmc/tallies/filter.h
index 1166c0eee..210ab284b 100644
--- a/include/openmc/tallies/filter.h
+++ b/include/openmc/tallies/filter.h
@@ -36,6 +36,7 @@ enum class FilterType {
   MESHBORN,
   MESH_SURFACE,
   MU,
+  MUSURFACE,
   PARTICLE,
   POLAR,
   SPHERICAL_HARMONICS,
diff --git a/include/openmc/tallies/filter_mu.h b/include/openmc/tallies/filter_mu.h
index 942ee60c2..b0ee40eac 100644
--- a/include/openmc/tallies/filter_mu.h
+++ b/include/openmc/tallies/filter_mu.h
@@ -40,7 +40,7 @@ public:
 
   void set_bins(gsl::span<double> bins);
 
-private:
+protected:
   //----------------------------------------------------------------------------
   // Data members
 
diff --git a/include/openmc/tallies/filter_musurface.h b/include/openmc/tallies/filter_musurface.h
new file mode 100644
index 000000000..2ca19e3a2
--- /dev/null
+++ b/include/openmc/tallies/filter_musurface.h
@@ -0,0 +1,34 @@
+#ifndef OPENMC_TALLIES_FILTER_MU_SURFACE_H
+#define OPENMC_TALLIES_FILTER_MU_SURFACE_H
+
+#include <gsl/gsl-lite.hpp>
+
+#include "openmc/tallies/filter_mu.h"
+#include "openmc/vector.h"
+
+namespace openmc {
+
+//==============================================================================
+//! Bins the incoming-outgoing direction cosine.  This is only used for surface
+//! crossings.
+//==============================================================================
+
+class MuSurfaceFilter : public MuFilter {
+public:
+  //----------------------------------------------------------------------------
+  // Constructors, destructors
+
+  ~MuSurfaceFilter() = default;
+
+  //----------------------------------------------------------------------------
+  // Methods
+
+  std::string type_str() const override { return "musurface"; }
+  FilterType type() const override { return FilterType::MUSURFACE; }
+
+  void get_all_bins(const Particle& p, TallyEstimator estimator,
+    FilterMatch& match) const override;
+};
+
+} // namespace openmc
+#endif // OPENMC_TALLIES_FILTER_MU_SURFACE_H
diff --git a/openmc/filter.py b/openmc/filter.py
index 0f884cfcd..b5926af5a 100644
--- a/openmc/filter.py
+++ b/openmc/filter.py
@@ -22,7 +22,7 @@ from ._xml import get_text
 
 _FILTER_TYPES = (
     'universe', 'material', 'cell', 'cellborn', 'surface', 'mesh', 'energy',
-    'energyout', 'mu', 'polar', 'azimuthal', 'distribcell', 'delayedgroup',
+    'energyout', 'mu', 'musurface', 'polar', 'azimuthal', 'distribcell', 'delayedgroup',
     'energyfunction', 'cellfrom', 'materialfrom', 'legendre', 'spatiallegendre',
     'sphericalharmonics', 'zernike', 'zernikeradial', 'particle', 'cellinstance',
     'collision', 'time'
@@ -765,7 +765,7 @@ class ParticleFilter(Filter):
     @Filter.bins.setter
     def bins(self, bins):
         cv.check_type('bins', bins, Sequence, str)
-        bins = np.atleast_1d(bins)    
+        bins = np.atleast_1d(bins)
         for edge in bins:
             cv.check_value('filter bin', edge, _PARTICLES)
         self._bins = bins
@@ -1850,6 +1850,44 @@ class MuFilter(RealFilter):
                 cv.check_less_than('filter value', x, 1., equality=True)
 
 
+class MuSurfaceFilter(MuFilter):
+    """Bins tally events based on the angle of surface crossing.
+
+    This filter bins events based on the cosine of the angle between the
+    direction of the particle and the normal to the surface at the point it
+    crosses. Only used in conjunction with a SurfaceFilter and current score.
+
+    .. versionadded:: 0.15.1
+
+    Parameters
+    ----------
+    values : int or Iterable of Real
+        A grid of surface crossing angles which the events will be divided into.
+        Values represent the cosine of the angle between the direction of the
+        particle and the normal to the surface at the point it crosses. If an
+        iterable is given, the values will be used explicitly as grid points. If
+        a single int is given, the range [-1, 1] will be divided equally into
+        that number of bins.
+    filter_id : int
+        Unique identifier for the filter
+
+    Attributes
+    ----------
+    values : numpy.ndarray
+        An array of values for which each successive pair constitutes a range of
+        surface crossing angle cosines for a single bin.
+    id : int
+        Unique identifier for the filter
+    bins : numpy.ndarray
+        An array of shape (N, 2) where each row is a pair of cosines of surface
+        crossing angle for a single filter
+    num_bins : Integral
+        The number of filter bins
+
+    """
+    # Note: inherits implementation from MuFilter
+
+
 class PolarFilter(RealFilter):
     """Bins tally events based on the incident particle's direction.
 
diff --git a/openmc/lib/filter.py b/openmc/lib/filter.py
index 340c2fa34..b30f5e662 100644
--- a/openmc/lib/filter.py
+++ b/openmc/lib/filter.py
@@ -21,9 +21,9 @@ __all__ = [
     'CellInstanceFilter', 'CollisionFilter', 'DistribcellFilter', 'DelayedGroupFilter',
     'EnergyFilter', 'EnergyoutFilter', 'EnergyFunctionFilter', 'LegendreFilter',
     'MaterialFilter', 'MaterialFromFilter', 'MeshFilter', 'MeshBornFilter',
-    'MeshSurfaceFilter', 'MuFilter', 'ParticleFilter',
-    'PolarFilter', 'SphericalHarmonicsFilter', 'SpatialLegendreFilter', 'SurfaceFilter',
-    'UniverseFilter', 'ZernikeFilter', 'ZernikeRadialFilter', 'filters'
+    'MeshSurfaceFilter', 'MuFilter', 'MuSurfaceFilter', 'ParticleFilter', 'PolarFilter',
+    'SphericalHarmonicsFilter', 'SpatialLegendreFilter', 'SurfaceFilter', 'UniverseFilter',
+    'ZernikeFilter', 'ZernikeRadialFilter', 'filters'
 ]
 
 # Tally functions
@@ -540,6 +540,10 @@ class MuFilter(Filter):
     filter_type = 'mu'
 
 
+class MuSurfaceFilter(Filter):
+    filter_type = 'musurface'
+
+
 class ParticleFilter(Filter):
     filter_type = 'particle'
 
@@ -642,6 +646,7 @@ _FILTER_TYPE_MAP = {
     'meshborn': MeshBornFilter,
     'meshsurface': MeshSurfaceFilter,
     'mu': MuFilter,
+    'musurface': MuSurfaceFilter,
     'particle': ParticleFilter,
     'polar': PolarFilter,
     'sphericalharmonics': SphericalHarmonicsFilter,
diff --git a/src/tallies/filter.cpp b/src/tallies/filter.cpp
index ff7a3416b..074212db4 100644
--- a/src/tallies/filter.cpp
+++ b/src/tallies/filter.cpp
@@ -26,6 +26,7 @@
 #include "openmc/tallies/filter_meshborn.h"
 #include "openmc/tallies/filter_meshsurface.h"
 #include "openmc/tallies/filter_mu.h"
+#include "openmc/tallies/filter_musurface.h"
 #include "openmc/tallies/filter_particle.h"
 #include "openmc/tallies/filter_polar.h"
 #include "openmc/tallies/filter_sph_harm.h"
@@ -133,6 +134,8 @@ Filter* Filter::create(const std::string& type, int32_t id)
     return Filter::create<MeshSurfaceFilter>(id);
   } else if (type == "mu") {
     return Filter::create<MuFilter>(id);
+  } else if (type == "musurface") {
+    return Filter::create<MuSurfaceFilter>(id);
   } else if (type == "particle") {
     return Filter::create<ParticleFilter>(id);
   } else if (type == "polar") {
diff --git a/src/tallies/filter_musurface.cpp b/src/tallies/filter_musurface.cpp
new file mode 100644
index 000000000..58fe39b91
--- /dev/null
+++ b/src/tallies/filter_musurface.cpp
@@ -0,0 +1,36 @@
+#include "openmc/tallies/filter_musurface.h"
+
+#include <cmath> // for abs, copysign
+
+#include "openmc/search.h"
+#include "openmc/surface.h"
+#include "openmc/tallies/tally_scoring.h"
+
+namespace openmc {
+
+void MuSurfaceFilter::get_all_bins(
+  const Particle& p, TallyEstimator estimator, FilterMatch& match) const
+{
+  // Get surface normal (and make sure it is a unit vector)
+  const auto surf {model::surfaces[std::abs(p.surface()) - 1].get()};
+  auto n = surf->normal(p.r());
+  n /= n.norm();
+
+  // Determine whether normal should be pointing in or out
+  if (p.surface() < 0)
+    n *= -1;
+
+  // Determine cosine of angle between normal and particle direction
+  double mu = p.u().dot(n);
+  if (std::abs(mu) > 1.0)
+    mu = std::copysign(1.0, mu);
+
+  // Find matching bin
+  if (mu >= bins_.front() && mu <= bins_.back()) {
+    auto bin = lower_bound_index(bins_.begin(), bins_.end(), mu);
+    match.bins_.push_back(bin);
+    match.weights_.push_back(1.0);
+  }
+}
+
+} // namespace openmc
diff --git a/tests/regression_tests/filter_musurface/__init__.py b/tests/regression_tests/filter_musurface/__init__.py
new file mode 100644
index 000000000..e69de29bb
diff --git a/tests/regression_tests/filter_musurface/inputs_true.dat b/tests/regression_tests/filter_musurface/inputs_true.dat
new file mode 100644
index 000000000..031f62159
--- /dev/null
+++ b/tests/regression_tests/filter_musurface/inputs_true.dat
@@ -0,0 +1,37 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material depletable="true" id="1">
+      <density units="g/cm3" value="10.0"/>
+      <nuclide ao="1.0" name="U235"/>
+    </material>
+    <material id="2">
+      <density units="g/cm3" value="1.0"/>
+      <nuclide ao="1.0" name="Zr90"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="-1" universe="1"/>
+    <cell id="2" material="2" region="1 -2" universe="1"/>
+    <surface coeffs="0.0 0.0 1.0" id="1" type="z-cylinder"/>
+    <surface boundary="vacuum" coeffs="0.0 0.0 3.0" id="2" type="z-cylinder"/>
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>1000</particles>
+    <batches>5</batches>
+    <inactive>0</inactive>
+  </settings>
+  <tallies>
+    <filter id="1" type="surface">
+      <bins>1</bins>
+    </filter>
+    <filter id="2" type="musurface">
+      <bins>-1.0 -0.5 0.0 0.5 1.0</bins>
+    </filter>
+    <tally id="1">
+      <filters>1 2</filters>
+      <scores>current</scores>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/filter_musurface/results_true.dat b/tests/regression_tests/filter_musurface/results_true.dat
new file mode 100644
index 000000000..39c9f2b92
--- /dev/null
+++ b/tests/regression_tests/filter_musurface/results_true.dat
@@ -0,0 +1,11 @@
+k-combined:
+1.157005E-01 7.587090E-03
+tally 1:
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+8.770000E-01
+1.608710E-01
+3.909000E+00
+3.063035E+00
diff --git a/tests/regression_tests/filter_musurface/test.py b/tests/regression_tests/filter_musurface/test.py
new file mode 100644
index 000000000..f2ec96b49
--- /dev/null
+++ b/tests/regression_tests/filter_musurface/test.py
@@ -0,0 +1,43 @@
+import numpy as np
+from math import pi
+
+import openmc
+import pytest
+
+from tests.testing_harness import PyAPITestHarness
+
+
+@pytest.fixture
+def model():
+    model = openmc.Model()
+    fuel = openmc.Material()
+    fuel.set_density('g/cm3', 10.0)
+    fuel.add_nuclide('U235', 1.0)
+    zr = openmc.Material()
+    zr.set_density('g/cm3', 1.0)
+    zr.add_nuclide('Zr90', 1.0)
+
+    cyl1 = openmc.ZCylinder(r=1.0)
+    cyl2 = openmc.ZCylinder(r=3.0, boundary_type='vacuum')
+    cell1 = openmc.Cell(fill=fuel, region=-cyl1)
+    cell2 = openmc.Cell(fill=zr, region=+cyl1 & -cyl2)
+    model.geometry = openmc.Geometry([cell1, cell2])
+
+    model.settings.batches = 5
+    model.settings.inactive = 0
+    model.settings.particles = 1000
+
+    # Create a tally for current through the first surface binned by mu
+    surf_filter = openmc.SurfaceFilter([cyl1])
+    mu_filter = openmc.MuSurfaceFilter([-1.0, -0.5, 0.0, 0.5, 1.0])
+    tally = openmc.Tally()
+    tally.filters = [surf_filter, mu_filter]
+    tally.scores = ['current']
+    model.tallies.append(tally)
+
+    return model
+
+
+def test_filter_musurface(model):
+    harness = PyAPITestHarness('statepoint.5.h5', model)
+    harness.main()
diff --git a/tests/unit_tests/test_filter_musurface.py b/tests/unit_tests/test_filter_musurface.py
new file mode 100644
index 000000000..ca0db71f0
--- /dev/null
+++ b/tests/unit_tests/test_filter_musurface.py
@@ -0,0 +1,38 @@
+import openmc
+
+
+def test_musurface(run_in_tmpdir):
+    sphere = openmc.Sphere(r=1.0, boundary_type='vacuum')
+    cell = openmc.Cell(region=-sphere)
+    model = openmc.Model()
+    model.geometry = openmc.Geometry([cell])
+    model.settings.particles = 1000
+    model.settings.batches = 10
+    E = 1.0
+    model.settings.source = openmc.IndependentSource(
+        space=openmc.stats.Point(),
+        angle=openmc.stats.Isotropic(),
+        energy=openmc.stats.delta_function(E),
+    )
+    model.settings.run_mode = "fixed source"
+
+    filter1 = openmc.MuSurfaceFilter(200)
+    filter2 = openmc.SurfaceFilter(sphere)
+    tally = openmc.Tally()
+    tally.filters = [filter1, filter2]
+    tally.scores = ['current']
+    model.tallies = openmc.Tallies([tally])
+
+    # Run OpenMC
+    sp_filename = model.run()
+
+    # Get current binned by mu
+    with openmc.StatePoint(sp_filename) as sp:
+        current_mu = sp.tallies[tally.id].mean.ravel()
+
+    # All contributions should show up in last bin
+    assert current_mu[-1] == 1.0
+    for element in current_mu[:-1]:
+        assert element == 0.0
+
+

From 9070b8b220153e2b4d8c8e5238ffec99cfd06add Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 4 Oct 2024 22:59:41 -0500
Subject: [PATCH 2161/2654] Prepare point query data structures on meshes when
 applying Weight Windows (#3157)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 include/openmc/mesh.h                         |  6 +--
 openmc/weight_windows.py                      |  5 ++-
 src/mesh.cpp                                  |  5 ++-
 src/tallies/filter_mesh.cpp                   |  2 +-
 src/weight_windows.cpp                        |  7 ++--
 tests/unit_tests/weightwindows/test.py        | 38 ++++++++++++++++++-
 .../weightwindows/test_mesh_tets.exo          |  1 +
 vendor/fmt                                    |  2 +-
 8 files changed, 53 insertions(+), 13 deletions(-)
 create mode 120000 tests/unit_tests/weightwindows/test_mesh_tets.exo

diff --git a/include/openmc/mesh.h b/include/openmc/mesh.h
index 6f3f2b0a4..f0ad57247 100644
--- a/include/openmc/mesh.h
+++ b/include/openmc/mesh.h
@@ -83,8 +83,8 @@ public:
   virtual ~Mesh() = default;
 
   // Methods
-  //! Perform any preparation needed to support use in mesh filters
-  virtual void prepare_for_tallies() {};
+  //! Perform any preparation needed to support point location within the mesh
+  virtual void prepare_for_point_location() {};
 
   //! Update a position to the local coordinates of the mesh
   virtual void local_coords(Position& r) const {};
@@ -737,7 +737,7 @@ public:
   // Overridden Methods
 
   //! Perform any preparation needed to support use in mesh filters
-  void prepare_for_tallies() override;
+  void prepare_for_point_location() override;
 
   Position sample_element(int32_t bin, uint64_t* seed) const override;
 
diff --git a/openmc/weight_windows.py b/openmc/weight_windows.py
index a10fd2a65..5df9f71dc 100644
--- a/openmc/weight_windows.py
+++ b/openmc/weight_windows.py
@@ -328,8 +328,9 @@ class WeightWindows(IDManagerMixin):
         subelement = ET.SubElement(element, 'particle_type')
         subelement.text = self.particle_type
 
-        subelement = ET.SubElement(element, 'energy_bounds')
-        subelement.text = ' '.join(str(e) for e in self.energy_bounds)
+        if self.energy_bounds is not None:
+            subelement = ET.SubElement(element, 'energy_bounds')
+            subelement.text = ' '.join(str(e) for e in self.energy_bounds)
 
         subelement = ET.SubElement(element, 'lower_ww_bounds')
         subelement.text = ' '.join(str(b) for b in self.lower_ww_bounds.ravel('F'))
diff --git a/src/mesh.cpp b/src/mesh.cpp
index 0f8b4b14e..b90fead03 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -2315,7 +2315,7 @@ void MOABMesh::initialize()
   this->determine_bounds();
 }
 
-void MOABMesh::prepare_for_tallies()
+void MOABMesh::prepare_for_point_location()
 {
   // if the KDTree has already been constructed, do nothing
   if (kdtree_)
@@ -2365,7 +2365,8 @@ void MOABMesh::build_kdtree(const moab::Range& all_tets)
   all_tets_and_tris.merge(all_tris);
 
   // create a kd-tree instance
-  write_message("Building adaptive k-d tree for tet mesh...", 7);
+  write_message(
+    7, "Building adaptive k-d tree for tet mesh with ID {}...", id_);
   kdtree_ = make_unique<moab::AdaptiveKDTree>(mbi_.get());
 
   // Determine what options to use
diff --git a/src/tallies/filter_mesh.cpp b/src/tallies/filter_mesh.cpp
index 5b01da1f6..03f7da978 100644
--- a/src/tallies/filter_mesh.cpp
+++ b/src/tallies/filter_mesh.cpp
@@ -80,7 +80,7 @@ void MeshFilter::set_mesh(int32_t mesh)
   // perform any additional perparation for mesh tallies here
   mesh_ = mesh;
   n_bins_ = model::meshes[mesh_]->n_bins();
-  model::meshes[mesh_]->prepare_for_tallies();
+  model::meshes[mesh_]->prepare_for_point_location();
 }
 
 void MeshFilter::set_translation(const Position& translation)
diff --git a/src/weight_windows.cpp b/src/weight_windows.cpp
index 2eb930965..68f7550ae 100644
--- a/src/weight_windows.cpp
+++ b/src/weight_windows.cpp
@@ -147,8 +147,8 @@ WeightWindows::WeightWindows(int32_t id)
 WeightWindows::WeightWindows(pugi::xml_node node)
 {
   // Make sure required elements are present
-  const vector<std::string> required_elems {"id", "particle_type",
-    "energy_bounds", "lower_ww_bounds", "upper_ww_bounds"};
+  const vector<std::string> required_elems {
+    "id", "particle_type", "lower_ww_bounds", "upper_ww_bounds"};
   for (const auto& elem : required_elems) {
     if (!check_for_node(node, elem.c_str())) {
       fatal_error(fmt::format("Must specify <{}> for weight windows.", elem));
@@ -165,7 +165,7 @@ WeightWindows::WeightWindows(pugi::xml_node node)
 
   // Determine associated mesh
   int32_t mesh_id = std::stoi(get_node_value(node, "mesh"));
-  mesh_idx_ = model::mesh_map.at(mesh_id);
+  set_mesh(model::mesh_map.at(mesh_id));
 
   // energy bounds
   if (check_for_node(node, "energy_bounds"))
@@ -340,6 +340,7 @@ void WeightWindows::set_mesh(int32_t mesh_idx)
     fatal_error(fmt::format("Could not find a mesh for index {}", mesh_idx));
 
   mesh_idx_ = mesh_idx;
+  model::meshes[mesh_idx_]->prepare_for_point_location();
   allocate_ww_bounds();
 }
 
diff --git a/tests/unit_tests/weightwindows/test.py b/tests/unit_tests/weightwindows/test.py
index d3da0cd11..79aadbef0 100644
--- a/tests/unit_tests/weightwindows/test.py
+++ b/tests/unit_tests/weightwindows/test.py
@@ -296,4 +296,40 @@ def test_ww_attrs_capi(run_in_tmpdir, model):
     assert wws.id == 2
     assert wws.particle == openmc.ParticleType.PHOTON
 
-    openmc.lib.finalize()
\ No newline at end of file
+    openmc.lib.finalize()
+
+
+@pytest.mark.parametrize('library', ('libmesh', 'moab'))
+def test_unstructured_mesh_applied_wws(request, run_in_tmpdir, library):
+    """
+    Ensure that weight windows on unstructured mesh work when
+    they aren't part of a tally or weight window generator
+    """
+
+    if library == 'libmesh' and not openmc.lib._libmesh_enabled():
+        pytest.skip('LibMesh not enabled in this build.')
+    if library == 'moab' and not openmc.lib._dagmc_enabled():
+        pytest.skip('DAGMC (and MOAB) mesh not enabled in this build.')
+
+    water = openmc.Material(name='water')
+    water.add_nuclide('H1', 2.0)
+    water.add_nuclide('O16', 1.0)
+    water.set_density('g/cc', 1.0)
+    box = openmc.model.RectangularParallelepiped(*(3*[-10, 10]), boundary_type='vacuum')
+    cell = openmc.Cell(region=-box, fill=water)
+
+    geometry = openmc.Geometry([cell])
+    mesh_file = str(request.fspath.dirpath() / 'test_mesh_tets.exo')
+    mesh = openmc.UnstructuredMesh(mesh_file, library)
+
+    dummy_wws = np.ones((12_000,))
+
+    wws = openmc.WeightWindows(mesh, dummy_wws, upper_bound_ratio=5.0)
+
+    model = openmc.Model(geometry)
+    model.settings.weight_windows = wws
+    model.settings.weight_windows_on = True
+    model.settings.run_mode = 'fixed source'
+    model.settings.particles = 100
+    model.settings.batches = 2
+    model.run()
diff --git a/tests/unit_tests/weightwindows/test_mesh_tets.exo b/tests/unit_tests/weightwindows/test_mesh_tets.exo
new file mode 120000
index 000000000..5bf23b369
--- /dev/null
+++ b/tests/unit_tests/weightwindows/test_mesh_tets.exo
@@ -0,0 +1 @@
+../../regression_tests/unstructured_mesh/test_mesh_tets.e
\ No newline at end of file
diff --git a/vendor/fmt b/vendor/fmt
index d141cdbeb..65ac626c5 160000
--- a/vendor/fmt
+++ b/vendor/fmt
@@ -1 +1 @@
-Subproject commit d141cdbeb0fb422a3fb7173b285fd38e0d1772dc
+Subproject commit 65ac626c5856f5aad1f1542e79407a6714357043

From 2450eef4246cae85c7ee8b895458729b7e6dc97c Mon Sep 17 00:00:00 2001
From: Zoe Prieto <101403129+zoeprieto@users.noreply.github.com>
Date: Sat, 5 Oct 2024 03:51:56 -0300
Subject: [PATCH 2162/2654] Introduce ParticleList class for manipulating a
 list of source particles (#3148)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 docs/source/pythonapi/base.rst                |   1 +
 openmc/lib/core.py                            |   9 +-
 openmc/source.py                              | 248 +++++++++++++++---
 .../surface_source_write/test.py              |  45 ++--
 tests/unit_tests/test_source_file.py          |  30 ++-
 5 files changed, 259 insertions(+), 74 deletions(-)

diff --git a/docs/source/pythonapi/base.rst b/docs/source/pythonapi/base.rst
index 611d2c216..23df02f2e 100644
--- a/docs/source/pythonapi/base.rst
+++ b/docs/source/pythonapi/base.rst
@@ -191,6 +191,7 @@ Post-processing
    :template: myclass.rst
 
    openmc.Particle
+   openmc.ParticleList
    openmc.ParticleTrack
    openmc.StatePoint
    openmc.Summary
diff --git a/openmc/lib/core.py b/openmc/lib/core.py
index e646a9ae1..8561602e6 100644
--- a/openmc/lib/core.py
+++ b/openmc/lib/core.py
@@ -477,7 +477,7 @@ def run(output=True):
 def sample_external_source(
         n_samples: int = 1000,
         prn_seed: int | None = None
-) -> list[openmc.SourceParticle]:
+) -> openmc.ParticleList:
     """Sample external source and return source particles.
 
     .. versionadded:: 0.13.1
@@ -492,7 +492,7 @@ def sample_external_source(
 
     Returns
     -------
-    list of openmc.SourceParticle
+    openmc.ParticleList
         List of sampled source particles
 
     """
@@ -506,14 +506,13 @@ def sample_external_source(
     _dll.openmc_sample_external_source(c_size_t(n_samples), c_uint64(prn_seed), sites_array)
 
     # Convert to list of SourceParticle and return
-    return [
-        openmc.SourceParticle(
+    return openmc.ParticleList([openmc.SourceParticle(
             r=site.r, u=site.u, E=site.E, time=site.time, wgt=site.wgt,
             delayed_group=site.delayed_group, surf_id=site.surf_id,
             particle=openmc.ParticleType(site.particle)
         )
         for site in sites_array
-    ]
+    ])
 
 
 def simulation_init():
diff --git a/openmc/source.py b/openmc/source.py
index e35e62f5f..7c8e6af8d 100644
--- a/openmc/source.py
+++ b/openmc/source.py
@@ -5,10 +5,12 @@ from enum import IntEnum
 from numbers import Real
 import warnings
 from typing import Any
+from pathlib import Path
 
 import lxml.etree as ET
 import numpy as np
 import h5py
+import pandas as pd
 
 import openmc
 import openmc.checkvalue as cv
@@ -917,6 +919,34 @@ class ParticleType(IntEnum):
         except KeyError:
             raise ValueError(f"Invalid string for creation of {cls.__name__}: {value}")
 
+    @classmethod
+    def from_pdg_number(cls, pdg_number: int) -> ParticleType:
+        """Constructs a ParticleType instance from a PDG number.
+
+        The Particle Data Group at LBNL publishes a Monte Carlo particle
+        numbering scheme as part of the `Review of Particle Physics
+        <10.1103/PhysRevD.110.030001>`_. This method maps PDG numbers to the
+        corresponding :class:`ParticleType`.
+
+        Parameters
+        ----------
+        pdg_number : int
+            The PDG number of the particle type.
+
+        Returns
+        -------
+        The corresponding ParticleType instance.
+        """
+        try:
+            return {
+                2112: ParticleType.NEUTRON,
+                22: ParticleType.PHOTON,
+                11: ParticleType.ELECTRON,
+                -11: ParticleType.POSITRON,
+            }[pdg_number]
+        except KeyError:
+            raise ValueError(f"Unrecognized PDG number: {pdg_number}")
+
     def __repr__(self) -> str:
         """
         Returns a string representation of the ParticleType instance.
@@ -930,11 +960,6 @@ class ParticleType(IntEnum):
     def __str__(self) -> str:
         return self.__repr__()
 
-    # needed for <= 3.7, IntEnum will use the mixed-in type's `__format__` method otherwise
-    # this forces it to default to the standard object format, relying on __str__ under the hood
-    def __format__(self, spec):
-        return object.__format__(self, spec)
-
 
 class SourceParticle:
     """Source particle
@@ -1020,31 +1045,179 @@ def write_source_file(
     openmc.SourceParticle
 
     """
-    # Create compound datatype for source particles
-    pos_dtype = np.dtype([('x', '<f8'), ('y', '<f8'), ('z', '<f8')])
-    source_dtype = np.dtype([
-        ('r', pos_dtype),
-        ('u', pos_dtype),
-        ('E', '<f8'),
-        ('time', '<f8'),
-        ('wgt', '<f8'),
-        ('delayed_group', '<i4'),
-        ('surf_id', '<i4'),
-        ('particle', '<i4'),
-    ])
-
-    # Create array of source particles
     cv.check_iterable_type("source particles", source_particles, SourceParticle)
-    arr = np.array([s.to_tuple() for s in source_particles], dtype=source_dtype)
-
-    # Write array to file
-    kwargs.setdefault('mode', 'w')
-    with h5py.File(filename, **kwargs) as fh:
-        fh.attrs['filetype'] = np.bytes_("source")
-        fh.create_dataset('source_bank', data=arr, dtype=source_dtype)
+    pl = ParticleList(source_particles)
+    pl.export_to_hdf5(filename, **kwargs)
 
 
-def read_source_file(filename: PathLike) -> list[SourceParticle]:
+class ParticleList(list):
+    """A collection of SourceParticle objects.
+
+    Parameters
+    ----------
+    particles : list of SourceParticle
+        Particles to collect into the list
+
+    """
+    @classmethod
+    def from_hdf5(cls, filename: PathLike) -> ParticleList:
+        """Create particle list from an HDF5 file.
+
+        Parameters
+        ----------
+        filename : path-like
+            Path to source file to read.
+
+        Returns
+        -------
+        ParticleList instance
+
+        """
+        with h5py.File(filename, 'r') as fh:
+            filetype = fh.attrs['filetype']
+            arr = fh['source_bank'][...]
+
+        if filetype != b'source':
+            raise ValueError(f'File {filename} is not a source file')
+
+        source_particles = [
+            SourceParticle(*params, ParticleType(particle))
+            for *params, particle in arr
+        ]
+        return cls(source_particles)
+
+    @classmethod
+    def from_mcpl(cls, filename: PathLike) -> ParticleList:
+        """Create particle list from an MCPL file.
+
+        Parameters
+        ----------
+        filename : path-like
+            Path to MCPL file to read.
+
+        Returns
+        -------
+        ParticleList instance
+
+        """
+        import mcpl
+        # Process .mcpl file
+        particles = []
+        with mcpl.MCPLFile(filename) as f:
+            for particle in f.particles:
+                # Determine particle type based on the PDG number
+                try:
+                    particle_type = ParticleType.from_pdg_number(particle.pdgcode)
+                except ValueError:
+                    particle_type = "UNKNOWN"
+
+                # Create a source particle instance. Note that MCPL stores
+                # energy in MeV and time in ms.
+                source_particle = SourceParticle(
+                    r=tuple(particle.position),
+                    u=tuple(particle.direction),
+                    E=1.0e6*particle.ekin,
+                    time=1.0e-3*particle.time,
+                    wgt=particle.weight,
+                    particle=particle_type
+                )
+                particles.append(source_particle)
+
+        return cls(particles)
+
+    def __getitem__(self, index):
+        """
+        Return a new ParticleList object containing the particle(s)
+        at the specified index or slice.
+
+        Parameters
+        ----------
+        index : int, slice or list
+            The index, slice or list to select from the list of particles
+
+        Returns
+        -------
+        openmc.ParticleList or openmc.SourceParticle
+            A new object with the selected particle(s)
+        """
+        if isinstance(index, int):
+            # If it's a single integer, return the corresponding particle
+            return super().__getitem__(index)
+        elif isinstance(index, slice):
+            # If it's a slice, return a new ParticleList object with the
+            # sliced particles
+            return ParticleList(super().__getitem__(index))
+        elif isinstance(index, list):
+            # If it's a list of integers, return a new ParticleList object with
+            # the selected particles. Note that Python 3.10 gets confused if you
+            # use super() here, so we call list.__getitem__ directly.
+            return ParticleList([list.__getitem__(self, i) for i in index])
+        else:
+            raise TypeError(f"Invalid index type: {type(index)}. Must be int, "
+                            "slice, or list of int.")
+
+    def to_dataframe(self) -> pd.DataFrame:
+        """A dataframe representing the source particles
+
+        Returns
+        -------
+        pandas.DataFrame
+            DataFrame containing the source particles attributes.
+        """
+        # Extract the attributes of the source particles into a list of tuples
+        data = [(sp.r[0], sp.r[1], sp.r[2], sp.u[0], sp.u[1], sp.u[2],
+                 sp.E, sp.time, sp.wgt, sp.delayed_group, sp.surf_id,
+                 sp.particle.name.lower()) for sp in self]
+
+        # Define the column names for the DataFrame
+        columns = ['x', 'y', 'z', 'u_x', 'u_y', 'u_z', 'E', 'time', 'wgt',
+                   'delayed_group', 'surf_id', 'particle']
+
+        # Create the pandas DataFrame from the data
+        return pd.DataFrame(data, columns=columns)
+
+    def export_to_hdf5(self, filename: PathLike, **kwargs):
+        """Export particle list to an HDF5 file.
+
+        This method write out an .h5 file that can be used as a source file in
+        conjunction with the :class:`openmc.FileSource` class.
+
+        Parameters
+        ----------
+        filename : path-like
+            Path to source file to write
+        **kwargs
+            Keyword arguments to pass to :class:`h5py.File`
+
+        See Also
+        --------
+        openmc.FileSource
+
+        """
+        # Create compound datatype for source particles
+        pos_dtype = np.dtype([('x', '<f8'), ('y', '<f8'), ('z', '<f8')])
+        source_dtype = np.dtype([
+            ('r', pos_dtype),
+            ('u', pos_dtype),
+            ('E', '<f8'),
+            ('time', '<f8'),
+            ('wgt', '<f8'),
+            ('delayed_group', '<i4'),
+            ('surf_id', '<i4'),
+            ('particle', '<i4'),
+        ])
+
+        # Create array of source particles
+        arr = np.array([s.to_tuple() for s in self], dtype=source_dtype)
+
+        # Write array to file
+        kwargs.setdefault('mode', 'w')
+        with h5py.File(filename, **kwargs) as fh:
+            fh.attrs['filetype'] = np.bytes_("source")
+            fh.create_dataset('source_bank', data=arr, dtype=source_dtype)
+
+
+def read_source_file(filename: PathLike) -> ParticleList:
     """Read a source file and return a list of source particles.
 
     .. versionadded:: 0.15.0
@@ -1056,23 +1229,18 @@ def read_source_file(filename: PathLike) -> list[SourceParticle]:
 
     Returns
     -------
-    list of SourceParticle
-        Source particles read from file
+    openmc.ParticleList
 
     See Also
     --------
     openmc.SourceParticle
 
     """
-    with h5py.File(filename, 'r') as fh:
-        filetype = fh.attrs['filetype']
-        arr = fh['source_bank'][...]
+    filename = Path(filename)
+    if filename.suffix not in ('.h5', '.mcpl'):
+        raise ValueError('Source file must have a .h5 or .mcpl extension.')
 
-    if filetype != b'source':
-        raise ValueError(f'File {filename} is not a source file')
-
-    source_particles = []
-    for *params, particle in arr:
-        source_particles.append(SourceParticle(*params, ParticleType(particle)))
-
-    return source_particles
+    if filename.suffix == '.h5':
+        return ParticleList.from_hdf5(filename)
+    else:
+        return ParticleList.from_mcpl(filename)
diff --git a/tests/regression_tests/surface_source_write/test.py b/tests/regression_tests/surface_source_write/test.py
index fe11d68a6..f144eb82a 100644
--- a/tests/regression_tests/surface_source_write/test.py
+++ b/tests/regression_tests/surface_source_write/test.py
@@ -608,11 +608,6 @@ def return_surface_source_data(filepath):
     """Read a surface source file and return a sorted array composed
     of flatten arrays of source data for each surface source point.
 
-    TODO:
-
-    - use read_source_file from source.py instead. Or a dedicated function
-      to produce sorted list of source points for a given file.
-
     Parameters
     ----------
     filepath : str
@@ -629,27 +624,25 @@ def return_surface_source_data(filepath):
     keys = []
 
     # Read source file
-    with h5py.File(filepath, "r") as f:
-        for point in f["source_bank"]:
-            r = point["r"]
-            u = point["u"]
-            e = point["E"]
-            time = point["time"]
-            wgt = point["wgt"]
-            delayed_group = point["delayed_group"]
-            surf_id = point["surf_id"]
-            particle = point["particle"]
+    source = openmc.read_source_file(filepath)
 
-            key = (
-                f"{r[0]:.10e} {r[1]:.10e} {r[2]:.10e} {u[0]:.10e} {u[1]:.10e} {u[2]:.10e}"
-                f"{e:.10e} {time:.10e} {wgt:.10e} {delayed_group} {surf_id} {particle}"
-            )
-
-            keys.append(key)
-
-            values = [*r, *u, e, time, wgt, delayed_group, surf_id, particle]
-            assert len(values) == 12
-            data.append(values)
+    for point in source:
+        r = point.r
+        u = point.u
+        e = point.E
+        time = point.time
+        wgt = point.wgt
+        delayed_group = point.delayed_group
+        surf_id = point.surf_id
+        particle = point.particle
+        key = (
+            f"{r[0]:.10e} {r[1]:.10e} {r[2]:.10e} {u[0]:.10e} {u[1]:.10e} {u[2]:.10e}"
+            f"{e:.10e} {time:.10e} {wgt:.10e} {delayed_group} {surf_id} {particle}"
+        )
+        keys.append(key)
+        values = [*r, *u, e, time, wgt, delayed_group, surf_id, particle]
+        assert len(values) == 12
+        data.append(values)
 
     data = np.array(data)
     keys = np.array(keys)
@@ -1129,4 +1122,4 @@ def test_surface_source_cell_dagmc(
     harness = SurfaceSourceWriteTestHarness(
         "statepoint.5.h5", model=model, workdir=folder
     )
-    harness.main()
\ No newline at end of file
+    harness.main()
diff --git a/tests/unit_tests/test_source_file.py b/tests/unit_tests/test_source_file.py
index 1b5549b00..41906c80f 100644
--- a/tests/unit_tests/test_source_file.py
+++ b/tests/unit_tests/test_source_file.py
@@ -44,11 +44,9 @@ def test_source_file(run_in_tmpdir):
     assert np.all(arr['delayed_group'] == 0)
     assert np.all(arr['particle'] == 0)
 
-
     # Ensure sites read in are consistent
-    sites = openmc.read_source_file('test_source.h5')
+    sites = openmc.ParticleList.from_hdf5('test_source.h5')
 
-    assert filetype == b'source'
     xs = np.array([site.r[0] for site in sites])
     ys = np.array([site.r[1] for site in sites])
     zs = np.array([site.r[2] for site in sites])
@@ -68,6 +66,32 @@ def test_source_file(run_in_tmpdir):
     p_types = np.array([s.particle for s in sites])
     assert np.all(p_types == 0)
 
+    # Ensure a ParticleList item is a SourceParticle
+    site = sites[0]
+    assert isinstance(site, openmc.SourceParticle)
+    assert site.E == pytest.approx(n)
+
+    # Ensure site slice read in and exported are consistent
+    sites_slice = sites[:10]
+    sites_slice.export_to_hdf5("test_source_slice.h5")
+    sites_slice = openmc.ParticleList.from_hdf5('test_source_slice.h5')
+
+    assert isinstance(sites_slice, openmc.ParticleList)
+    assert len(sites_slice) == 10
+    E = np.array([s.E for s in sites_slice])
+    np.testing.assert_allclose(E, n - np.arange(10))
+
+    # Ensure site list read in and exported are consistent
+    df = sites.to_dataframe()
+    sites_filtered = sites[df[df.E <= 10.0].index.tolist()]
+    sites_filtered.export_to_hdf5("test_source_filtered.h5")
+    sites_filtered = openmc.read_source_file('test_source_filtered.h5')
+
+    assert isinstance(sites_filtered, openmc.ParticleList)
+    assert len(sites_filtered) == 10
+    E = np.array([s.E for s in sites_filtered])
+    np.testing.assert_allclose(E, np.arange(10, 0, -1))
+
 
 def test_wrong_source_attributes(run_in_tmpdir):
     # Create a source file with animal attributes

From 34f04267a5a6bfe17479c11bce98c1adbbfd4a29 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Sat, 5 Oct 2024 12:28:22 -0500
Subject: [PATCH 2163/2654] Update fmt submodule to version 11.0.2 (#3162)

---
 include/openmc/output.h   | 2 +-
 include/openmc/position.h | 2 +-
 vendor/fmt                | 2 +-
 3 files changed, 3 insertions(+), 3 deletions(-)

diff --git a/include/openmc/output.h b/include/openmc/output.h
index 1ece3de96..549d2ae32 100644
--- a/include/openmc/output.h
+++ b/include/openmc/output.h
@@ -76,7 +76,7 @@ struct formatter<std::array<T, 2>> {
   }
 
   template<typename FormatContext>
-  auto format(const std::array<T, 2>& arr, FormatContext& ctx)
+  auto format(const std::array<T, 2>& arr, FormatContext& ctx) const
   {
     return format_to(ctx.out(), "({}, {})", arr[0], arr[1]);
   }
diff --git a/include/openmc/position.h b/include/openmc/position.h
index 11ea37647..e6939dc0e 100644
--- a/include/openmc/position.h
+++ b/include/openmc/position.h
@@ -221,7 +221,7 @@ namespace fmt {
 template<>
 struct formatter<openmc::Position> : formatter<std::string> {
   template<typename FormatContext>
-  auto format(const openmc::Position& pos, FormatContext& ctx)
+  auto format(const openmc::Position& pos, FormatContext& ctx) const
   {
     return formatter<std::string>::format(
       fmt::format("({}, {}, {})", pos.x, pos.y, pos.z), ctx);
diff --git a/vendor/fmt b/vendor/fmt
index 65ac626c5..0c9fce2ff 160000
--- a/vendor/fmt
+++ b/vendor/fmt
@@ -1 +1 @@
-Subproject commit 65ac626c5856f5aad1f1542e79407a6714357043
+Subproject commit 0c9fce2ffefecfdce794e1859584e25877b7b592

From c0acc28038cc13c7d88b3eae17c86615c590f30f Mon Sep 17 00:00:00 2001
From: Matteo Zammataro <103496190+MatteoZammataro@users.noreply.github.com>
Date: Tue, 8 Oct 2024 20:29:55 +0200
Subject: [PATCH 2164/2654] Add dose coefficients from ICRP 74 (#3020)

Co-authored-by: matteo.zammataro <matteo.zammataro@newcleo.com>
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/data/effective_dose/dose.py            | 98 ++++++++++++-------
 .../{ => icrp116}/electrons.txt               |  0
 .../{ => icrp116}/helium_ions.txt             |  0
 .../{ => icrp116}/negative_muons.txt          |  0
 .../{ => icrp116}/negative_pions.txt          |  0
 .../effective_dose/{ => icrp116}/neutrons.txt |  0
 .../effective_dose/{ => icrp116}/photons.txt  |  0
 .../{ => icrp116}/photons_kerma.txt           |  0
 .../{ => icrp116}/positive_muons.txt          |  0
 .../{ => icrp116}/positive_pions.txt          |  0
 .../{ => icrp116}/positrons.txt               |  0
 .../effective_dose/{ => icrp116}/protons.txt  |  0
 .../icrp74/generate_photon_effective_dose.py  | 69 +++++++++++++
 .../data/effective_dose/icrp74/neutrons.txt   | 50 ++++++++++
 openmc/data/effective_dose/icrp74/photons.txt | 26 +++++
 tests/unit_tests/test_data_dose.py            | 14 +++
 16 files changed, 222 insertions(+), 35 deletions(-)
 rename openmc/data/effective_dose/{ => icrp116}/electrons.txt (100%)
 rename openmc/data/effective_dose/{ => icrp116}/helium_ions.txt (100%)
 rename openmc/data/effective_dose/{ => icrp116}/negative_muons.txt (100%)
 rename openmc/data/effective_dose/{ => icrp116}/negative_pions.txt (100%)
 rename openmc/data/effective_dose/{ => icrp116}/neutrons.txt (100%)
 rename openmc/data/effective_dose/{ => icrp116}/photons.txt (100%)
 rename openmc/data/effective_dose/{ => icrp116}/photons_kerma.txt (100%)
 rename openmc/data/effective_dose/{ => icrp116}/positive_muons.txt (100%)
 rename openmc/data/effective_dose/{ => icrp116}/positive_pions.txt (100%)
 rename openmc/data/effective_dose/{ => icrp116}/positrons.txt (100%)
 rename openmc/data/effective_dose/{ => icrp116}/protons.txt (100%)
 create mode 100644 openmc/data/effective_dose/icrp74/generate_photon_effective_dose.py
 create mode 100644 openmc/data/effective_dose/icrp74/neutrons.txt
 create mode 100644 openmc/data/effective_dose/icrp74/photons.txt

diff --git a/openmc/data/effective_dose/dose.py b/openmc/data/effective_dose/dose.py
index ae981ee7d..c7f458d1c 100644
--- a/openmc/data/effective_dose/dose.py
+++ b/openmc/data/effective_dose/dose.py
@@ -2,40 +2,61 @@ from pathlib import Path
 
 import numpy as np
 
-_FILES = (
-    ('electron', 'electrons.txt'),
-    ('helium', 'helium_ions.txt'),
-    ('mu-', 'negative_muons.txt'),
-    ('pi-', 'negative_pions.txt'),
-    ('neutron', 'neutrons.txt'),
-    ('photon', 'photons.txt'),
-    ('photon kerma', 'photons_kerma.txt'),
-    ('mu+', 'positive_muons.txt'),
-    ('pi+', 'positive_pions.txt'),
-    ('positron', 'positrons.txt'),
-    ('proton', 'protons.txt')
-)
+import openmc.checkvalue as cv
 
-_DOSE_ICRP116 = {}
+_FILES = {
+    ('icrp74', 'neutron'): Path('icrp74') / 'neutrons.txt',
+    ('icrp74', 'photon'): Path('icrp74') / 'photons.txt',
+    ('icrp116', 'electron'): Path('icrp116') / 'electrons.txt',
+    ('icrp116', 'helium'): Path('icrp116') / 'helium_ions.txt',
+    ('icrp116', 'mu-'): Path('icrp116') / 'negative_muons.txt',
+    ('icrp116', 'pi-'): Path('icrp116') / 'negative_pions.txt',
+    ('icrp116', 'neutron'): Path('icrp116') / 'neutrons.txt',
+    ('icrp116', 'photon'): Path('icrp116') / 'photons.txt',
+    ('icrp116', 'photon kerma'): Path('icrp116') / 'photons_kerma.txt',
+    ('icrp116', 'mu+'): Path('icrp116') / 'positive_muons.txt',
+    ('icrp116', 'pi+'): Path('icrp116') / 'positive_pions.txt',
+    ('icrp116', 'positron'): Path('icrp116') / 'positrons.txt',
+    ('icrp116', 'proton'): Path('icrp116') / 'protons.txt',
+}
+
+_DOSE_TABLES = {}
 
 
-def _load_dose_icrp116():
-    """Load effective dose tables from text files"""
-    for particle, filename in _FILES:
-        path = Path(__file__).parent / filename
-        data = np.loadtxt(path, skiprows=3, encoding='utf-8')
-        data[:, 0] *= 1e6   # Change energies to eV
-        _DOSE_ICRP116[particle] = data
+def _load_dose_icrp(data_source: str, particle: str):
+    """Load effective dose tables from text files.
+
+    Parameters
+    ----------
+    data_source : {'icrp74', 'icrp116'}
+        The dose conversion data source to use
+    particle : {'neutron', 'photon', 'photon kerma', 'electron', 'positron'}
+        Incident particle
+
+    """
+    path = Path(__file__).parent / _FILES[data_source, particle]
+    data = np.loadtxt(path, skiprows=3, encoding='utf-8')
+    data[:, 0] *= 1e6   # Change energies to eV
+    _DOSE_TABLES[data_source, particle] = data
 
 
-def dose_coefficients(particle, geometry='AP'):
-    """Return effective dose conversion coefficients from ICRP-116
+def dose_coefficients(particle, geometry='AP', data_source='icrp116'):
+    """Return effective dose conversion coefficients.
 
-    This function provides fluence (and air kerma) to effective dose conversion
-    coefficients for various types of external exposures based on values in
-    `ICRP Publication 116 <https://doi.org/10.1016/j.icrp.2011.10.001>`_.
-    Corrected values found in a correigendum are used rather than the values in
-    theoriginal report.
+    This function provides fluence (and air kerma) to effective or ambient dose
+    (H*(10)) conversion coefficients for various types of external exposures
+    based on values in ICRP publications. Corrected values found in a
+    corrigendum are used rather than the values in the original report.
+    Available libraries include `ICRP Publication 74
+    <https://doi.org/10.1016/S0146-6453(96)90010-X>` and `ICRP Publication 116
+    <https://doi.org/10.1016/j.icrp.2011.10.001>`.
+
+    For ICRP 74 data, the photon effective dose per fluence is determined by
+    multiplying the air kerma per fluence values (Table A.1) by the effective
+    dose per air kerma (Table A.17). The neutron effective dose per fluence is
+    found in Table A.41. For ICRP 116 data, the photon effective dose per
+    fluence is found in Table A.1 and the neutron effective dose per fluence is
+    found in Table A.5.
 
     Parameters
     ----------
@@ -44,6 +65,8 @@ def dose_coefficients(particle, geometry='AP'):
     geometry : {'AP', 'PA', 'LLAT', 'RLAT', 'ROT', 'ISO'}
         Irradiation geometry assumed. Refer to ICRP-116 (Section 3.2) for the
         meaning of the options here.
+    data_source : {'icrp74', 'icrp116'}
+        The data source for the effective dose conversion coefficients.
 
     Returns
     -------
@@ -54,19 +77,24 @@ def dose_coefficients(particle, geometry='AP'):
         'photon kerma', the coefficients are given in [Sv/Gy].
 
     """
-    if not _DOSE_ICRP116:
-        _load_dose_icrp116()
+
+    cv.check_value('geometry', geometry, {'AP', 'PA', 'LLAT', 'RLAT', 'ROT', 'ISO'})
+    cv.check_value('data_source', data_source, {'icrp74', 'icrp116'})
+
+    if (data_source, particle) not in _FILES:
+        raise ValueError(f"{particle} has no dose data in data source {data_source}.")
+    elif (data_source, particle) not in _DOSE_TABLES:
+        _load_dose_icrp(data_source, particle)
 
     # Get all data for selected particle
-    data = _DOSE_ICRP116.get(particle)
-    if data is None:
-        raise ValueError(f"{particle} has no effective dose data")
+    data = _DOSE_TABLES[data_source, particle]
 
     # Determine index for selected geometry
     if particle in ('neutron', 'photon', 'proton', 'photon kerma'):
-        index = ('AP', 'PA', 'LLAT', 'RLAT', 'ROT', 'ISO').index(geometry)
+        columns = ('AP', 'PA', 'LLAT', 'RLAT', 'ROT', 'ISO')
     else:
-        index = ('AP', 'PA', 'ISO').index(geometry)
+        columns = ('AP', 'PA', 'ISO')
+    index = columns.index(geometry)
 
     # Pull out energy and dose from table
     energy = data[:, 0].copy()
diff --git a/openmc/data/effective_dose/electrons.txt b/openmc/data/effective_dose/icrp116/electrons.txt
similarity index 100%
rename from openmc/data/effective_dose/electrons.txt
rename to openmc/data/effective_dose/icrp116/electrons.txt
diff --git a/openmc/data/effective_dose/helium_ions.txt b/openmc/data/effective_dose/icrp116/helium_ions.txt
similarity index 100%
rename from openmc/data/effective_dose/helium_ions.txt
rename to openmc/data/effective_dose/icrp116/helium_ions.txt
diff --git a/openmc/data/effective_dose/negative_muons.txt b/openmc/data/effective_dose/icrp116/negative_muons.txt
similarity index 100%
rename from openmc/data/effective_dose/negative_muons.txt
rename to openmc/data/effective_dose/icrp116/negative_muons.txt
diff --git a/openmc/data/effective_dose/negative_pions.txt b/openmc/data/effective_dose/icrp116/negative_pions.txt
similarity index 100%
rename from openmc/data/effective_dose/negative_pions.txt
rename to openmc/data/effective_dose/icrp116/negative_pions.txt
diff --git a/openmc/data/effective_dose/neutrons.txt b/openmc/data/effective_dose/icrp116/neutrons.txt
similarity index 100%
rename from openmc/data/effective_dose/neutrons.txt
rename to openmc/data/effective_dose/icrp116/neutrons.txt
diff --git a/openmc/data/effective_dose/photons.txt b/openmc/data/effective_dose/icrp116/photons.txt
similarity index 100%
rename from openmc/data/effective_dose/photons.txt
rename to openmc/data/effective_dose/icrp116/photons.txt
diff --git a/openmc/data/effective_dose/photons_kerma.txt b/openmc/data/effective_dose/icrp116/photons_kerma.txt
similarity index 100%
rename from openmc/data/effective_dose/photons_kerma.txt
rename to openmc/data/effective_dose/icrp116/photons_kerma.txt
diff --git a/openmc/data/effective_dose/positive_muons.txt b/openmc/data/effective_dose/icrp116/positive_muons.txt
similarity index 100%
rename from openmc/data/effective_dose/positive_muons.txt
rename to openmc/data/effective_dose/icrp116/positive_muons.txt
diff --git a/openmc/data/effective_dose/positive_pions.txt b/openmc/data/effective_dose/icrp116/positive_pions.txt
similarity index 100%
rename from openmc/data/effective_dose/positive_pions.txt
rename to openmc/data/effective_dose/icrp116/positive_pions.txt
diff --git a/openmc/data/effective_dose/positrons.txt b/openmc/data/effective_dose/icrp116/positrons.txt
similarity index 100%
rename from openmc/data/effective_dose/positrons.txt
rename to openmc/data/effective_dose/icrp116/positrons.txt
diff --git a/openmc/data/effective_dose/protons.txt b/openmc/data/effective_dose/icrp116/protons.txt
similarity index 100%
rename from openmc/data/effective_dose/protons.txt
rename to openmc/data/effective_dose/icrp116/protons.txt
diff --git a/openmc/data/effective_dose/icrp74/generate_photon_effective_dose.py b/openmc/data/effective_dose/icrp74/generate_photon_effective_dose.py
new file mode 100644
index 000000000..f8e970137
--- /dev/null
+++ b/openmc/data/effective_dose/icrp74/generate_photon_effective_dose.py
@@ -0,0 +1,69 @@
+from prettytable import PrettyTable
+import numpy as np
+
+# Data from Table A.1 (air kerma per fluence)
+energy_a1 = np.array([
+    0.01, 0.015, 0.02, 0.03, 0.04, 0.05, 0.06, 0.08, 0.1, 0.15, 0.2,
+    0.3, 0.4, 0.5, 0.6, 0.8, 1.0, 1.5, 2.0, 3.0, 4.0, 5.0, 6.0, 8.0, 10.0
+])
+air_kerma = np.array([7.43, 3.12, 1.68, 0.721, 0.429, 0.323, 0.289, 0.307, 0.371, 0.599, 0.856, 1.38,
+               1.89, 2.38, 2.84, 3.69, 4.47, 6.14, 7.55, 9.96, 12.1, 14.1, 16.1, 20.1, 24.0])
+
+# Data from Table A.17 (effective dose per air kerma)
+energy_a17 = np.array([
+    0.01, 0.015, 0.02, 0.03, 0.04, 0.05, 0.06, 0.07, 0.08, 0.1, 0.15, 0.2, 0.3,
+    0.4, 0.5, 0.6, 0.8, 1.0, 2.0, 4.0, 6.0, 8.0, 10.0
+])
+dose_per_airkerma = {
+    'AP': np.array([
+        0.00653, 0.0402, 0.122, 0.416, 0.788, 1.106, 1.308, 1.407, 1.433, 1.394,
+        1.256, 1.173, 1.093, 1.056, 1.036, 1.024, 1.010, 1.003, 0.992, 0.993,
+        0.993, 0.991, 0.990
+    ]),
+    'PA': np.array([
+        0.00248, 0.00586, 0.0181, 0.128, 0.370, 0.640, 0.846, 0.966, 1.019,
+        1.030, 0.959, 0.915, 0.880, 0.871, 0.869, 0.870, 0.875, 0.880, 0.901,
+        0.918, 0.924, 0.927, 0.929
+    ]),
+    'RLAT': np.array([
+        0.00172, 0.00549, 0.0151, 0.0782, 0.205, 0.345, 0.455, 0.522, 0.554,
+        0.571, 0.551, 0.549, 0.557, 0.570, 0.585, 0.600, 0.628, 0.651, 0.728,
+        0.796, 0.827, 0.846, 0.860
+    ]),
+    'LLAT': np.array([
+        0.00172, 0.00549, 0.0155, 0.0904, 0.241, 0.405, 0.528, 0.598, 0.628,
+        0.641, 0.620, 0.615, 0.615, 0.623, 0.635, 0.648, 0.670, 0.691, 0.757,
+        0.813, 0.836, 0.850, 0.859
+    ]),
+    'ROT': np.array([
+        0.00326, 0.0153, 0.0462, 0.191, 0.426, 0.661, 0.828, 0.924, 0.961,
+        0.960, 0.892, 0.854, 0.824, 0.814, 0.812, 0.814, 0.821, 0.831, 0.871,
+        0.909, 0.925, 0.934, 0.941
+    ]),
+    'ISO': np.array([
+        0.00271, 0.0123, 0.0362, 0.143, 0.326, 0.511, 0.642, 0.720, 0.749,
+        0.748, 0.700, 0.679, 0.664, 0.667, 0.675, 0.684, 0.703, 0.719, 0.774,
+        0.824, 0.846, 0.859, 0.868
+    ])
+}
+
+# Interpolate air kerma onto energy grid for Table A.17
+air_kerma = np.interp(energy_a17, energy_a1, air_kerma)
+
+# Compute effective dose per fluence
+dose_per_fluence = {
+    geometry: air_kerma * dose_per_airkerma
+    for geometry, dose_per_airkerma in dose_per_airkerma.items()
+}
+
+# Create table
+table = PrettyTable()
+table.field_names = ['Energy (MeV)', 'AP', 'PA', 'LLAT', 'RLAT', 'ROT', 'ISO']
+table.float_format = '.7'
+for i, energy in enumerate(energy_a17):
+    row = [energy]
+    for geometry in table.field_names[1:]:
+        row.append(dose_per_fluence[geometry][i])
+    table.add_row(row)
+print('Photons: Effective dose per fluence, in units of pSv cm², for monoenergetic particles incident in various geometries.\n')
+print(table.get_string(border=False))
diff --git a/openmc/data/effective_dose/icrp74/neutrons.txt b/openmc/data/effective_dose/icrp74/neutrons.txt
new file mode 100644
index 000000000..14aab48bd
--- /dev/null
+++ b/openmc/data/effective_dose/icrp74/neutrons.txt
@@ -0,0 +1,50 @@
+Neutrons: Effective dose per fluence, in units of pSv cm², for monoenergetic particles incident in various geometries.
+
+Energy (MeV)    AP      PA      LLAT        RLAT        ROT     ISO
+1.00E-09        5.24    3.52    1.68        1.36        2.99    2.4
+1.00E-08        6.55    4.39    2.04        1.7         3.72    2.89
+2.50E-08        7.6     5.16    2.31        1.99        4.4     3.3
+1.00E-07        9.95    6.77    2.86        2.58        5.75    4.13
+2.00E-07        11.2    7.63    3.21        2.92        6.43    4.59
+5.00E-07        12.8    8.76    3.72        3.35        7.27    5.2
+1.00E-06        13.8    9.55    4.12        3.67        7.84    5.63
+2.00E-06        14.5    10.2    4.39        3.89        8.31    5.96
+5.00E-06        15      10.7    4.66        4.08        8.72    6.28
+1.00E-05        15.1    11      4.8         4.16        8.9     6.44
+2.00E-05        15.1    11.1    4.89        4.2         8.92    6.51
+5.00E-05        14.8    11.1    4.95        4.19        8.82    6.51
+1.00E-04        14.6    11      4.95        4.15        8.69    6.45
+2.00E-04        14.4    10.9    4.92        4.1         8.56    6.32
+5.00E-04        14.2    10.7    4.86        4.03        8.4     6.14
+1.00E-03        14.2    10.7    4.84        4           8.34    6.04
+2.00E-03        14.4    10.8    4.87        4           8.39    6.05
+5.00E-03        15.7    11.6    5.25        4.29        9.06    6.52
+1.00E-02        18.3    13.5    6.14        5.02        10.6    7.7
+2.00E-02        23.8    17.3    7.95        6.48        13.8    10.2
+3.00E-02        29      21      9.74        7.93        16.9    12.7
+5.00E-02        38.5    27.6    13.1        10.6        22.7    17.3
+7.00E-02        47.2    33.5    16.1        13.1        27.8    21.5
+1.00E-01        59.8    41.3    20.1        16.4        34.8    27.2
+1.50E-01        80.2    52.2    25.5        21.2        45.4    35.2
+2.00E-01        99      61.5    30.3        25.6        54.8    42.4
+3.00E-01        133     77.1    38.6        33.4        71.6    54.7
+5.00E-01        188     103     53.2        46.8        99.4    75
+7.00E-01        231     124     66.6        58.3        123     92.8
+9.00E-01        267     144     79.6        69.1        144     108
+1               282     154     86          74.5        154     116
+1.2             310     175     99.8        85.8        173     130
+2               383     247     153         129         234     178
+3               432     308     195         171         283     220
+4               458     345     224         198         315     250
+5               474     366     244         217         335     272
+6               483     380     261         232         348     282
+7               490     391     274         244         358     290
+8               494     399     285         253         366     297
+9               497     406     294         261         373     303
+1.00E+01        499     412     302         268         378     309
+1.20E+01        499     422     315         278         385     322
+1.40E+01        496     429     324         286         390     333
+1.50E+01        494     431     328         290         391     338
+1.60E+01        491     433     331         293         393     342
+1.80E+01        486     435     335         299         394     345
+2.00E+01        480     436     338         305         395     343
diff --git a/openmc/data/effective_dose/icrp74/photons.txt b/openmc/data/effective_dose/icrp74/photons.txt
new file mode 100644
index 000000000..1ce3d67e0
--- /dev/null
+++ b/openmc/data/effective_dose/icrp74/photons.txt
@@ -0,0 +1,26 @@
+Photons: Effective dose per fluence, in units of pSv cm², for monoenergetic particles incident in various geometries.
+
+ Energy (MeV)      AP          PA         LLAT        RLAT        ROT         ISO
+  0.0100000    0.0485179   0.0184264   0.0127796   0.0127796   0.0242218   0.0201353
+  0.0150000    0.1254240   0.0182832   0.0171288   0.0171288   0.0477360   0.0383760
+  0.0200000    0.2049600   0.0304080   0.0260400   0.0253680   0.0776160   0.0608160
+  0.0300000    0.2999360   0.0922880   0.0651784   0.0563822   0.1377110   0.1031030
+  0.0400000    0.3380520   0.1587300   0.1033890   0.0879450   0.1827540   0.1398540
+  0.0500000    0.3572380   0.2067200   0.1308150   0.1114350   0.2135030   0.1650530
+  0.0600000    0.3780120   0.2444940   0.1525920   0.1314950   0.2392920   0.1855380
+  0.0700000    0.4192860   0.2878680   0.1782040   0.1555560   0.2753520   0.2145600
+  0.0800000    0.4399310   0.3128330   0.1927960   0.1700780   0.2950270   0.2299430
+  0.1000000    0.5171740   0.3821300   0.2378110   0.2118410   0.3561600   0.2775080
+  0.1500000    0.7523440   0.5744410   0.3713800   0.3300490   0.5343080   0.4193000
+  0.2000000    1.0040880   0.7832400   0.5264400   0.4699440   0.7310240   0.5812240
+  0.3000000    1.5083400   1.2144000   0.8487000   0.7686600   1.1371200   0.9163200
+  0.4000000    1.9958400   1.6461900   1.1774700   1.0773000   1.5384600   1.2606300
+  0.5000000    2.4656800   2.0682200   1.5113000   1.3923000   1.9325600   1.6065000
+  0.6000000    2.9081600   2.4708000   1.8403200   1.7040000   2.3117600   1.9425600
+  0.8000000    3.7269000   3.2287500   2.4723000   2.3173200   3.0294900   2.5940700
+  1.0000000    4.4834100   3.9336000   3.0887700   2.9099700   3.7145700   3.2139300
+  2.0000000    7.4896000   6.8025500   5.7153500   5.4964000   6.5760500   5.8437000
+  4.0000000    12.0153000  11.1078000  9.8373000   9.6316000   10.9989000  9.9704000
+  6.0000000    15.9873000  14.8764000  13.4596000  13.3147000  14.8925000  13.6206000
+  8.0000000    19.9191000  18.6327000  17.0850000  17.0046000  18.7734000  17.2659000
+  10.0000000   23.7600000  22.2960000  20.6160000  20.6400000  22.5840000  20.8320000
diff --git a/tests/unit_tests/test_data_dose.py b/tests/unit_tests/test_data_dose.py
index 348143e0b..2d80cf838 100644
--- a/tests/unit_tests/test_data_dose.py
+++ b/tests/unit_tests/test_data_dose.py
@@ -22,8 +22,22 @@ def test_dose_coefficients():
     assert energy[-1] == approx(10e9)
     assert dose[-1] == approx(699.0)
 
+    energy, dose = dose_coefficients('photon', data_source='icrp74')
+    assert energy[0] == approx(0.01e6)
+    assert dose[0] == approx(7.43*0.00653)
+    assert energy[-1] == approx(10.0e6)
+    assert dose[-1] == approx(24.0*0.990)
+
+    energy, dose = dose_coefficients('neutron', 'LLAT', data_source='icrp74')
+    assert energy[0] == approx(1e-3)
+    assert dose[0] == approx(1.68)
+    assert energy[-1] == approx(20.0e6)
+    assert dose[-1] == approx(338.0)
+
     # Invalid particle/geometry should raise an exception
     with raises(ValueError):
         dose_coefficients('slime', 'LAT')
     with raises(ValueError):
         dose_coefficients('neutron', 'ZZ')
+    with raises(ValueError):
+        dose_coefficients('neutron', data_source='icrp7000')

From e0471388333b7cd85187e30ebb712c241611cd50 Mon Sep 17 00:00:00 2001
From: Ahnaf Tahmid Chowdhury <ahnaf-tahmid@outlook.com>
Date: Wed, 9 Oct 2024 07:57:14 +0600
Subject: [PATCH 2165/2654] Fix for UWUW Macro Conflict (#3150)

Co-authored-by: Patrick Shriwise <pshriwise@gmail.com>
---
 .github/workflows/ci.yml    |  5 +++++
 CMakeLists.txt              | 13 ++++++++-----
 cmake/OpenMCConfig.cmake.in |  6 +++---
 src/dagmc.cpp               | 34 ++++++++++++++++++----------------
 src/output.cpp              |  2 +-
 5 files changed, 35 insertions(+), 25 deletions(-)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index 9293e319b..c67f19359 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -131,6 +131,11 @@ jobs:
           echo "$HOME/NJOY2016/build" >> $GITHUB_PATH
           $GITHUB_WORKSPACE/tools/ci/gha-install.sh
 
+      - name: display-config
+        shell: bash
+        run: |
+          openmc -v
+
       - name: cache-xs
         uses: actions/cache@v4
         with:
diff --git a/CMakeLists.txt b/CMakeLists.txt
index b4011434e..575e45373 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -510,6 +510,14 @@ endif()
 if(OPENMC_USE_DAGMC)
   target_compile_definitions(libopenmc PRIVATE DAGMC)
   target_link_libraries(libopenmc dagmc-shared)
+
+  if(OPENMC_USE_UWUW)
+    target_compile_definitions(libopenmc PRIVATE OPENMC_UWUW)
+    target_link_libraries(libopenmc uwuw-shared)
+  endif()
+elseif(OPENMC_USE_UWUW)
+  set(OPENMC_USE_UWUW OFF)
+  message(FATAL_ERROR "DAGMC must be enabled when UWUW is enabled.")
 endif()
 
 if(OPENMC_USE_LIBMESH)
@@ -546,11 +554,6 @@ if(OPENMC_USE_NCRYSTAL)
   target_link_libraries(libopenmc NCrystal::NCrystal)
 endif()
 
-if (OPENMC_USE_UWUW)
-  target_compile_definitions(libopenmc PRIVATE UWUW)
-  target_link_libraries(libopenmc uwuw-shared)
-endif()
-
 #===============================================================================
 # Log build info that this executable can report later
 #===============================================================================
diff --git a/cmake/OpenMCConfig.cmake.in b/cmake/OpenMCConfig.cmake.in
index 44a5e0d5a..b3b901de4 100644
--- a/cmake/OpenMCConfig.cmake.in
+++ b/cmake/OpenMCConfig.cmake.in
@@ -39,6 +39,6 @@ if(@OPENMC_USE_MCPL@)
   find_package(MCPL REQUIRED)
 endif()
 
-if(@OPENMC_USE_UWUW@)
-  find_package(UWUW REQUIRED)
-endif()
+if(@OPENMC_USE_UWUW@ AND NOT ${DAGMC_BUILD_UWUW})
+  message(FATAL_ERROR "UWUW is enabled in OpenMC but the DAGMC installation discovered was not configured with UWUW.")
+endif()
\ No newline at end of file
diff --git a/src/dagmc.cpp b/src/dagmc.cpp
index a29a2589f..b79676c36 100644
--- a/src/dagmc.cpp
+++ b/src/dagmc.cpp
@@ -11,7 +11,7 @@
 #include "openmc/settings.h"
 #include "openmc/string_utils.h"
 
-#ifdef UWUW
+#ifdef OPENMC_UWUW
 #include "uwuw.hpp"
 #endif
 #include <fmt/core.h>
@@ -29,7 +29,7 @@ const bool DAGMC_ENABLED = true;
 const bool DAGMC_ENABLED = false;
 #endif
 
-#ifdef UWUW
+#ifdef OPENMC_UWUW
 const bool UWUW_ENABLED = true;
 #else
 const bool UWUW_ENABLED = false;
@@ -112,6 +112,11 @@ void DAGUniverse::initialize()
 {
   geom_type() = GeometryType::DAG;
 
+#ifdef OPENMC_UWUW
+  // read uwuw materials from the .h5m file if present
+  read_uwuw_materials();
+#endif
+
   init_dagmc();
 
   init_metadata();
@@ -431,16 +436,16 @@ void DAGUniverse::to_hdf5(hid_t universes_group) const
 
 bool DAGUniverse::uses_uwuw() const
 {
-#ifdef UWUW
+#ifdef OPENMC_UWUW
   return uwuw_ && !uwuw_->material_library.empty();
 #else
   return false;
-#endif // UWUW
+#endif // OPENMC_UWUW
 }
 
 std::string DAGUniverse::get_uwuw_materials_xml() const
 {
-#ifdef UWUW
+#ifdef OPENMC_UWUW
   if (!uses_uwuw()) {
     throw std::runtime_error("This DAGMC Universe does not use UWUW materials");
   }
@@ -460,12 +465,12 @@ std::string DAGUniverse::get_uwuw_materials_xml() const
   return ss.str();
 #else
   fatal_error("DAGMC was not configured with UWUW.");
-#endif // UWUW
+#endif // OPENMC_UWUW
 }
 
 void DAGUniverse::write_uwuw_materials_xml(const std::string& outfile) const
 {
-#ifdef UWUW
+#ifdef OPENMC_UWUW
   if (!uses_uwuw()) {
     throw std::runtime_error(
       "This DAGMC universe does not use UWUW materials.");
@@ -478,7 +483,7 @@ void DAGUniverse::write_uwuw_materials_xml(const std::string& outfile) const
   mats_xml.close();
 #else
   fatal_error("DAGMC was not configured with UWUW.");
-#endif
+#endif // OPENMC_UWUW
 }
 
 void DAGUniverse::legacy_assign_material(
@@ -540,7 +545,7 @@ void DAGUniverse::legacy_assign_material(
 
 void DAGUniverse::read_uwuw_materials()
 {
-#ifdef UWUW
+#ifdef OPENMC_UWUW
   // If no filename was provided, don't read UWUW materials
   if (filename_ == "")
     return;
@@ -580,16 +585,13 @@ void DAGUniverse::read_uwuw_materials()
   }
 #else
   fatal_error("DAGMC was not configured with UWUW.");
-#endif
+#endif // OPENMC_UWUW
 }
 
 void DAGUniverse::uwuw_assign_material(
   moab::EntityHandle vol_handle, std::unique_ptr<DAGCell>& c) const
 {
-#ifdef UWUW
-  // read materials from uwuw material file
-  read_uwuw_materials();
-
+#ifdef OPENMC_UWUW
   // lookup material in uwuw if present
   std::string uwuw_mat = dmd_ptr->volume_material_property_data_eh[vol_handle];
   if (uwuw_->material_library.count(uwuw_mat) != 0) {
@@ -601,11 +603,11 @@ void DAGUniverse::uwuw_assign_material(
   } else {
     fatal_error(fmt::format("Material with value '{}' not found in the "
                             "UWUW material library",
-      mat_str));
+      uwuw_mat));
   }
 #else
   fatal_error("DAGMC was not configured with UWUW.");
-#endif
+#endif // OPENMC_UWUW
 }
 //==============================================================================
 // DAGMC Cell implementation
diff --git a/src/output.cpp b/src/output.cpp
index 5fdbea130..a430fe9a6 100644
--- a/src/output.cpp
+++ b/src/output.cpp
@@ -347,7 +347,7 @@ void print_build_info()
 #ifdef COVERAGEBUILD
   coverage = y;
 #endif
-#ifdef UWUW
+#ifdef OPENMC_UWUW
   uwuw = y;
 #endif
 

From fb3aaa46ac6dac05315c7fe84c3f105fbb74ae46 Mon Sep 17 00:00:00 2001
From: Ahnaf Tahmid Chowdhury <ahnaf-tahmid@outlook.com>
Date: Thu, 10 Oct 2024 22:05:32 +0600
Subject: [PATCH 2166/2654] Improve Detection of libMesh Installation via
 `LIBMESH_ROOT` and CMake's PkgConfig (#3149)

---
 .github/workflows/ci.yml        | 1 -
 cmake/Modules/FindLIBMESH.cmake | 4 ++--
 tools/ci/gha-install-libmesh.sh | 1 -
 tools/ci/gha-install.py         | 7 ++++---
 4 files changed, 6 insertions(+), 7 deletions(-)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index c67f19359..5973c3cd4 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -96,7 +96,6 @@ jobs:
 
       - name: Environment Variables
         run: |
-          echo "DAGMC_ROOT=$HOME/DAGMC"
           echo "OPENMC_CROSS_SECTIONS=$HOME/nndc_hdf5/cross_sections.xml" >> $GITHUB_ENV
           echo "OPENMC_ENDF_DATA=$HOME/endf-b-vii.1" >> $GITHUB_ENV
 
diff --git a/cmake/Modules/FindLIBMESH.cmake b/cmake/Modules/FindLIBMESH.cmake
index 048dfc2a8..df9208c18 100644
--- a/cmake/Modules/FindLIBMESH.cmake
+++ b/cmake/Modules/FindLIBMESH.cmake
@@ -15,7 +15,7 @@ if(DEFINED ENV{METHOD})
 endif()
 
 find_package(PkgConfig REQUIRED)
-set(ENV{PKG_CONFIG_PATH} "$ENV{PKG_CONFIG_PATH}:${LIBMESH_PC}")
-set(PKG_CONFIG_USE_CMAKE_PREFIX_PATH True)
+
+set(PKG_CONFIG_USE_CMAKE_PREFIX_PATH TRUE)
 pkg_check_modules(LIBMESH REQUIRED ${LIBMESH_PC_FILE}>=1.7.0 IMPORTED_TARGET)
 pkg_get_variable(LIBMESH_PREFIX ${LIBMESH_PC_FILE} prefix)
diff --git a/tools/ci/gha-install-libmesh.sh b/tools/ci/gha-install-libmesh.sh
index cb808ae5b..d4557d2d3 100755
--- a/tools/ci/gha-install-libmesh.sh
+++ b/tools/ci/gha-install-libmesh.sh
@@ -16,7 +16,6 @@ else
     ../libmesh/configure --prefix=$HOME/LIBMESH --enable-exodus --disable-netcdf-4 --disable-eigen --disable-lapack --disable-mpi
 fi
 make -j4 install
-export LIBMESH_PC=$HOME/LIBMESH/lib/pkgconfig/
 rm -rf $HOME/LIBMESH/build
 
 popd
diff --git a/tools/ci/gha-install.py b/tools/ci/gha-install.py
index f046e8634..282389a8f 100644
--- a/tools/ci/gha-install.py
+++ b/tools/ci/gha-install.py
@@ -31,7 +31,8 @@ def install(omp=False, mpi=False, phdf5=False, dagmc=False, libmesh=False, ncrys
 
     if dagmc:
         cmake_cmd.append('-DOPENMC_USE_DAGMC=ON')
-        cmake_cmd.append('-DCMAKE_PREFIX_PATH=~/DAGMC')
+        dagmc_path = os.environ.get('HOME') + '/DAGMC'
+        cmake_cmd.append('-DCMAKE_PREFIX_PATH=' + dagmc_path)
 
     if libmesh:
         cmake_cmd.append('-DOPENMC_USE_LIBMESH=ON')
@@ -40,8 +41,8 @@ def install(omp=False, mpi=False, phdf5=False, dagmc=False, libmesh=False, ncrys
 
     if ncrystal:
         cmake_cmd.append('-DOPENMC_USE_NCRYSTAL=ON')
-        ncrystal_cmake_path = os.environ.get('HOME') + '/ncrystal_inst/lib/cmake'
-        cmake_cmd.append(f'-DCMAKE_PREFIX_PATH={ncrystal_cmake_path}')
+        ncrystal_path = os.environ.get('HOME') + '/ncrystal_inst'
+        cmake_cmd.append(f'-DCMAKE_PREFIX_PATH={ncrystal_path}')
 
     # Build in coverage mode for coverage testing
     cmake_cmd.append('-DOPENMC_ENABLE_COVERAGE=on')

From 579777a3e5f84ace43b19d26379dd4f85af5d30c Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 10 Oct 2024 12:17:40 -0500
Subject: [PATCH 2167/2654] Consistency in treatment of paths for files
 specified within the Model class (#3153)

---
 docs/source/usersguide/geometry.rst           | 25 ++++++++----
 openmc/config.py                              | 27 +++++++++++--
 openmc/material.py                            |  3 +-
 openmc/mesh.py                                |  9 ++---
 openmc/settings.py                            | 38 +++++++++++--------
 openmc/source.py                              | 38 +++++++++----------
 openmc/universe.py                            | 14 +++----
 openmc/utility_funcs.py                       | 22 +++++++++++
 tests/conftest.py                             |  7 ++++
 tests/regression_tests/source_dlopen/test.py  |  3 +-
 .../source_parameterized_dlopen/test.py       |  3 +-
 tests/unit_tests/test_config.py               | 12 +++++-
 tests/unit_tests/test_settings.py             |  2 +-
 tests/unit_tests/test_source.py               |  8 ++--
 tests/unit_tests/test_temp_interp.py          |  4 +-
 15 files changed, 143 insertions(+), 72 deletions(-)

diff --git a/docs/source/usersguide/geometry.rst b/docs/source/usersguide/geometry.rst
index 3a3d02231..6f14ebfa5 100644
--- a/docs/source/usersguide/geometry.rst
+++ b/docs/source/usersguide/geometry.rst
@@ -474,7 +474,7 @@ applied as universes in the OpenMC geometry file. A geometry represented
 entirely by a DAGMC geometry will contain only the DAGMC universe. Using a
 :class:`openmc.DAGMCUniverse` looks like the following::
 
-   dag_univ = openmc.DAGMCUniverse(filename='dagmc.h5m')
+   dag_univ = openmc.DAGMCUniverse('dagmc.h5m')
    geometry = openmc.Geometry(dag_univ)
    geometry.export_to_xml()
 
@@ -495,13 +495,22 @@ It is important in these cases to understand the DAGMC model's position
 with respect to the CSG geometry. DAGMC geometries can be plotted with
 OpenMC to verify that the model matches one's expectations.
 
-**Note:** DAGMC geometries used in OpenMC are currently required to be clean,
-meaning that all surfaces have been `imprinted and merged
-<https://svalinn.github.io/DAGMC/usersguide/cubit_basics.html>`_ successfully
-and that the model is `watertight
-<https://svalinn.github.io/DAGMC/usersguide/tools.html#make-watertight>`_.
-Future implementations of DAGMC geometry will support small volume overlaps and
-un-merged surfaces.
+By default, when you specify a .h5m file for a :class:`~openmc.DAGMCUniverse`
+instance, it will store the absolute path to the .h5m file. If you prefer to
+store the relative path, you can set the ``'resolve_paths'`` configuration
+variable::
+
+  openmc.config['resolve_paths'] = False
+  dag_univ = openmc.DAGMCUniverse('dagmc.h5m')
+
+.. note::
+    DAGMC geometries used in OpenMC are currently required to be clean,
+    meaning that all surfaces have been `imprinted and merged
+    <https://svalinn.github.io/DAGMC/usersguide/cubit_basics.html>`_ successfully
+    and that the model is `watertight
+    <https://svalinn.github.io/DAGMC/usersguide/tools.html#make-watertight>`_.
+    Future implementations of DAGMC geometry will support small volume overlaps and
+    un-merged surfaces.
 
 Cell, Surface, and Material IDs
 -------------------------------
diff --git a/openmc/config.py b/openmc/config.py
index b823d6b06..ab53ab61b 100644
--- a/openmc/config.py
+++ b/openmc/config.py
@@ -1,4 +1,5 @@
 from collections.abc import MutableMapping
+from contextlib import contextmanager
 import os
 from pathlib import Path
 import warnings
@@ -11,7 +12,7 @@ __all__ = ["config"]
 
 class _Config(MutableMapping):
     def __init__(self, data=()):
-        self._mapping = {}
+        self._mapping = {'resolve_paths': True}
         self.update(data)
 
     def __getitem__(self, key):
@@ -42,10 +43,12 @@ class _Config(MutableMapping):
             # Reset photon source data since it relies on chain file
             _DECAY_PHOTON_ENERGY.clear()
             _DECAY_ENERGY.clear()
+        elif key == 'resolve_paths':
+            self._mapping[key] = value
         else:
             raise KeyError(f'Unrecognized config key: {key}. Acceptable keys '
-                           'are "cross_sections", "mg_cross_sections" and '
-                           '"chain_file"')
+                           'are "cross_sections", "mg_cross_sections", '
+                           '"chain_file", and "resolve_paths".')
 
     def __iter__(self):
         return iter(self._mapping)
@@ -61,6 +64,24 @@ class _Config(MutableMapping):
         if not p.exists():
             warnings.warn(f"'{value}' does not exist.")
 
+    @contextmanager
+    def patch(self, key, value):
+        """Temporarily change a value in the configuration.
+
+        Parameters
+        ----------
+        key : str
+            Key to change
+        value : object
+            New value
+        """
+        previous_value = self.get(key)
+        self[key] = value
+        yield
+        if previous_value is None:
+            del self[key]
+        else:
+            self[key] = previous_value
 
 def _default_config():
     """Return default configuration"""
diff --git a/openmc/material.py b/openmc/material.py
index f550fd649..74a403c15 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -16,6 +16,7 @@ import openmc.data
 import openmc.checkvalue as cv
 from ._xml import clean_indentation, reorder_attributes
 from .mixin import IDManagerMixin
+from .utility_funcs import input_path
 from openmc.checkvalue import PathLike
 from openmc.stats import Univariate, Discrete, Mixture
 from openmc.data.data import _get_element_symbol
@@ -1643,7 +1644,7 @@ class Materials(cv.CheckedList):
     @cross_sections.setter
     def cross_sections(self, cross_sections):
         if cross_sections is not None:
-            self._cross_sections = Path(cross_sections)
+            self._cross_sections = input_path(cross_sections)
 
     def append(self, material):
         """Append material to collection
diff --git a/openmc/mesh.py b/openmc/mesh.py
index a706b8fa8..6afe5d36e 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -5,8 +5,6 @@ from collections.abc import Iterable, Sequence
 from functools import wraps
 from math import pi, sqrt, atan2
 from numbers import Integral, Real
-from pathlib import Path
-import tempfile
 
 import h5py
 import lxml.etree as ET
@@ -19,6 +17,7 @@ from openmc.utility_funcs import change_directory
 from ._xml import get_text
 from .mixin import IDManagerMixin
 from .surface import _BOUNDARY_TYPES
+from .utility_funcs import input_path
 
 
 class MeshBase(IDManagerMixin, ABC):
@@ -2072,7 +2071,7 @@ class UnstructuredMesh(MeshBase):
 
     Parameters
     ----------
-    filename : str or pathlib.Path
+    filename : path-like
         Location of the unstructured mesh file
     library : {'moab', 'libmesh'}
         Mesh library used for the unstructured mesh tally
@@ -2158,8 +2157,8 @@ class UnstructuredMesh(MeshBase):
 
     @filename.setter
     def filename(self, filename):
-        cv.check_type('Unstructured Mesh filename', filename, (str, Path))
-        self._filename = filename
+        cv.check_type('Unstructured Mesh filename', filename, PathLike)
+        self._filename = input_path(filename)
 
     @property
     def library(self):
diff --git a/openmc/settings.py b/openmc/settings.py
index 96e6368e4..0a78fb564 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -8,12 +8,14 @@ from pathlib import Path
 import lxml.etree as ET
 
 import openmc.checkvalue as cv
-from openmc.stats.multivariate import MeshSpatial
-from . import (RegularMesh, SourceBase, MeshSource, IndependentSource,
-               VolumeCalculation, WeightWindows, WeightWindowGenerator)
-from ._xml import clean_indentation, get_text, reorder_attributes
 from openmc.checkvalue import PathLike
-from .mesh import _read_meshes
+from openmc.stats.multivariate import MeshSpatial
+from ._xml import clean_indentation, get_text, reorder_attributes
+from .mesh import _read_meshes, RegularMesh
+from .source import SourceBase, MeshSource, IndependentSource
+from .utility_funcs import input_path
+from .volume import VolumeCalculation
+from .weight_windows import WeightWindows, WeightWindowGenerator
 
 
 class RunMode(Enum):
@@ -699,14 +701,18 @@ class Settings:
         return self._surf_source_read
 
     @surf_source_read.setter
-    def surf_source_read(self, surf_source_read: dict):
-        cv.check_type('surface source reading options', surf_source_read, Mapping)
-        for key, value in surf_source_read.items():
+    def surf_source_read(self, ssr: dict):
+        cv.check_type('surface source reading options', ssr, Mapping)
+        for key, value in ssr.items():
             cv.check_value('surface source reading key', key,
                            ('path'))
             if key == 'path':
-                cv.check_type('path to surface source file', value, str)
-        self._surf_source_read = surf_source_read
+                cv.check_type('path to surface source file', value, PathLike)
+        self._surf_source_read = dict(ssr)
+
+        # Resolve path to surface source file
+        if 'path' in ssr:
+            self._surf_source_read['path'] = input_path(ssr['path'])
 
     @property
     def surf_source_write(self) -> dict:
@@ -1066,8 +1072,8 @@ class Settings:
 
     @weight_windows_file.setter
     def weight_windows_file(self, value: PathLike):
-        cv.check_type('weight windows file', value, (str, Path))
-        self._weight_windows_file = value
+        cv.check_type('weight windows file', value, PathLike)
+        self._weight_windows_file = input_path(value)
 
     @property
     def weight_window_generators(self) -> list[WeightWindowGenerator]:
@@ -1241,7 +1247,7 @@ class Settings:
             element = ET.SubElement(root, "surf_source_read")
             if 'path' in self._surf_source_read:
                 subelement = ET.SubElement(element, "path")
-                subelement.text = self._surf_source_read['path']
+                subelement.text = str(self._surf_source_read['path'])
 
     def _create_surf_source_write_subelement(self, root):
         if self._surf_source_write:
@@ -1501,7 +1507,7 @@ class Settings:
     def _create_weight_windows_file_element(self, root):
         if self.weight_windows_file is not None:
             element = ET.Element("weight_windows_file")
-            element.text = self.weight_windows_file
+            element.text = str(self.weight_windows_file)
             root.append(element)
 
     def _create_weight_window_checkpoints_subelement(self, root):
@@ -1645,9 +1651,11 @@ class Settings:
     def _surf_source_read_from_xml_element(self, root):
         elem = root.find('surf_source_read')
         if elem is not None:
+            ssr = {}
             value = get_text(elem, 'path')
             if value is not None:
-                self.surf_source_read['path'] = value
+                ssr['path'] = value
+            self.surf_source_read = ssr
 
     def _surf_source_write_from_xml_element(self, root):
         elem = root.find('surf_source_write')
diff --git a/openmc/source.py b/openmc/source.py
index 7c8e6af8d..878f52c3b 100644
--- a/openmc/source.py
+++ b/openmc/source.py
@@ -3,6 +3,7 @@ from abc import ABC, abstractmethod
 from collections.abc import Iterable, Sequence
 from enum import IntEnum
 from numbers import Real
+from pathlib import Path
 import warnings
 from typing import Any
 from pathlib import Path
@@ -19,6 +20,7 @@ from openmc.stats.multivariate import UnitSphere, Spatial
 from openmc.stats.univariate import Univariate
 from ._xml import get_text
 from .mesh import MeshBase, StructuredMesh, UnstructuredMesh
+from .utility_funcs import input_path
 
 
 class SourceBase(ABC):
@@ -664,7 +666,7 @@ class CompiledSource(SourceBase):
 
     Parameters
     ----------
-    library : str or None
+    library : path-like
         Path to a compiled shared library
     parameters : str
         Parameters to be provided to the compiled shared library function
@@ -686,7 +688,7 @@ class CompiledSource(SourceBase):
 
     Attributes
     ----------
-    library : str or None
+    library : pathlib.Path
         Path to a compiled shared library
     parameters : str
         Parameters to be provided to the compiled shared library function
@@ -702,17 +704,13 @@ class CompiledSource(SourceBase):
     """
     def __init__(
         self,
-        library: str | None  = None,
+        library: PathLike,
         parameters: str | None = None,
         strength: float = 1.0,
         constraints: dict[str, Any] | None = None
     ) -> None:
         super().__init__(strength=strength, constraints=constraints)
-
-        self._library = None
-        if library is not None:
-            self.library = library
-
+        self.library = library
         self._parameters = None
         if parameters is not None:
             self.parameters = parameters
@@ -722,13 +720,13 @@ class CompiledSource(SourceBase):
         return "compiled"
 
     @property
-    def library(self) -> str:
+    def library(self) -> Path:
         return self._library
 
     @library.setter
-    def library(self, library_name):
-        cv.check_type('library', library_name, str)
-        self._library = library_name
+    def library(self, library_name: PathLike):
+        cv.check_type('library', library_name, PathLike)
+        self._library = input_path(library_name)
 
     @property
     def parameters(self) -> str:
@@ -748,7 +746,7 @@ class CompiledSource(SourceBase):
             XML element containing source data
 
         """
-        element.set("library", self.library)
+        element.set("library", str(self.library))
 
         if self.parameters is not None:
             element.set("parameters", self.parameters)
@@ -794,7 +792,7 @@ class FileSource(SourceBase):
 
     Parameters
     ----------
-    path : str or pathlib.Path
+    path : path-like
         Path to the source file from which sites should be sampled
     strength : float
         Strength of the source (default is 1.0)
@@ -829,14 +827,12 @@ class FileSource(SourceBase):
 
     def __init__(
         self,
-        path: PathLike | None = None,
+        path: PathLike,
         strength: float = 1.0,
         constraints: dict[str, Any] | None = None
     ):
         super().__init__(strength=strength, constraints=constraints)
-        self._path = None
-        if path is not None:
-            self.path = path
+        self.path = path
 
     @property
     def type(self) -> str:
@@ -848,8 +844,8 @@ class FileSource(SourceBase):
 
     @path.setter
     def path(self, p: PathLike):
-        cv.check_type('source file', p, str)
-        self._path = p
+        cv.check_type('source file', p, PathLike)
+        self._path = input_path(p)
 
     def populate_xml_element(self, element):
         """Add necessary file source information to an XML element
@@ -861,7 +857,7 @@ class FileSource(SourceBase):
 
         """
         if self.path is not None:
-            element.set("file", self.path)
+            element.set("file", str(self.path))
 
     @classmethod
     def from_xml_element(cls, elem: ET.Element) -> openmc.FileSource:
diff --git a/openmc/universe.py b/openmc/universe.py
index d424c243b..648b773df 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -17,6 +17,7 @@ from ._xml import get_text
 from .checkvalue import check_type, check_value
 from .mixin import IDManagerMixin
 from .surface import _BOUNDARY_TYPES
+from .utility_funcs import input_path
 
 
 class UniverseBase(ABC, IDManagerMixin):
@@ -766,7 +767,7 @@ class DAGMCUniverse(UniverseBase):
 
     Parameters
     ----------
-    filename : str
+    filename : path-like
         Path to the DAGMC file used to represent this universe.
     universe_id : int, optional
         Unique identifier of the universe. If not specified, an identifier will
@@ -820,7 +821,7 @@ class DAGMCUniverse(UniverseBase):
     """
 
     def __init__(self,
-                 filename,
+                 filename: cv.PathLike,
                  universe_id=None,
                  name='',
                  auto_geom_ids=False,
@@ -850,9 +851,9 @@ class DAGMCUniverse(UniverseBase):
         return self._filename
 
     @filename.setter
-    def filename(self, val):
-        cv.check_type('DAGMC filename', val, (Path, str))
-        self._filename = val
+    def filename(self, val: cv.PathLike):
+        cv.check_type('DAGMC filename', val, cv.PathLike)
+        self._filename = input_path(val)
 
     @property
     def auto_geom_ids(self):
@@ -915,8 +916,7 @@ class DAGMCUniverse(UniverseBase):
         def decode_str_tag(tag_val):
             return tag_val.tobytes().decode().replace('\x00', '')
 
-        dagmc_filepath = Path(self.filename).resolve()
-        with h5py.File(dagmc_filepath) as dagmc_file:
+        with h5py.File(self.filename) as dagmc_file:
             category_data = dagmc_file['tstt/tags/CATEGORY/values']
             category_strs = map(decode_str_tag, category_data)
             n = sum([v == geom_type.capitalize() for v in category_strs])
diff --git a/openmc/utility_funcs.py b/openmc/utility_funcs.py
index 3dff45380..da9f73b16 100644
--- a/openmc/utility_funcs.py
+++ b/openmc/utility_funcs.py
@@ -3,8 +3,10 @@ import os
 from pathlib import Path
 from tempfile import TemporaryDirectory
 
+import openmc
 from .checkvalue import PathLike
 
+
 @contextmanager
 def change_directory(working_dir: PathLike | None = None, *, tmpdir: bool = False):
     """Context manager for executing in a provided working directory
@@ -35,3 +37,23 @@ def change_directory(working_dir: PathLike | None = None, *, tmpdir: bool = Fals
         os.chdir(orig_dir)
         if tmpdir:
             tmp.cleanup()
+
+
+def input_path(filename: PathLike) -> Path:
+    """Return a path object for an input file based on global configuration
+
+    Parameters
+    ----------
+    filename : PathLike
+        Path to input file
+
+    Returns
+    -------
+    pathlib.Path
+        Path object
+
+    """
+    if openmc.config['resolve_paths']:
+        return Path(filename).resolve()
+    else:
+        return Path(filename)
diff --git a/tests/conftest.py b/tests/conftest.py
index 639d669f3..cd86da539 100644
--- a/tests/conftest.py
+++ b/tests/conftest.py
@@ -1,4 +1,5 @@
 import pytest
+import openmc
 
 from tests.regression_tests import config as regression_config
 
@@ -27,3 +28,9 @@ def run_in_tmpdir(tmpdir):
         yield
     finally:
         orig.chdir()
+
+
+@pytest.fixture(scope='session', autouse=True)
+def resolve_paths():
+    with openmc.config.patch('resolve_paths', False):
+        yield
diff --git a/tests/regression_tests/source_dlopen/test.py b/tests/regression_tests/source_dlopen/test.py
index 88ff9dd85..0581d6dee 100644
--- a/tests/regression_tests/source_dlopen/test.py
+++ b/tests/regression_tests/source_dlopen/test.py
@@ -72,8 +72,7 @@ def model():
     model.tallies = openmc.Tallies([tally])
 
     # custom source from shared library
-    source = openmc.CompiledSource()
-    source.library = 'build/libsource.so'
+    source = openmc.CompiledSource('build/libsource.so')
     model.settings.source = source
 
     return model
diff --git a/tests/regression_tests/source_parameterized_dlopen/test.py b/tests/regression_tests/source_parameterized_dlopen/test.py
index 1cc253528..151fb3735 100644
--- a/tests/regression_tests/source_parameterized_dlopen/test.py
+++ b/tests/regression_tests/source_parameterized_dlopen/test.py
@@ -71,8 +71,7 @@ def model():
     model.tallies = openmc.Tallies([tally])
 
     # custom source from shared library
-    source = openmc.CompiledSource()
-    source.library = 'build/libsource.so'
+    source = openmc.CompiledSource('build/libsource.so')
     source.parameters = '1e3'
     model.settings.source = source
 
diff --git a/tests/unit_tests/test_config.py b/tests/unit_tests/test_config.py
index 1d3c0f173..9d3f53a74 100644
--- a/tests/unit_tests/test_config.py
+++ b/tests/unit_tests/test_config.py
@@ -19,7 +19,10 @@ def test_config_basics():
     assert isinstance(openmc.config, Mapping)
     for key, value in openmc.config.items():
         assert isinstance(key, str)
-        assert isinstance(value, os.PathLike)
+        if key == 'resolve_paths':
+            assert isinstance(value, bool)
+        else:
+            assert isinstance(value, os.PathLike)
 
     # Set and delete
     openmc.config['cross_sections'] = '/path/to/cross_sections.xml'
@@ -32,6 +35,13 @@ def test_config_basics():
         openmc.config['🐖'] = '/like/to/eat/bacon'
 
 
+def test_config_patch():
+    openmc.config['cross_sections'] = '/path/to/cross_sections.xml'
+    with openmc.config.patch('cross_sections', '/path/to/other.xml'):
+        assert str(openmc.config['cross_sections']) == '/path/to/other.xml'
+    assert str(openmc.config['cross_sections']) == '/path/to/cross_sections.xml'
+
+
 def test_config_set_envvar():
     openmc.config['cross_sections'] = '/path/to/cross_sections.xml'
     assert os.environ['OPENMC_CROSS_SECTIONS'] == '/path/to/cross_sections.xml'
diff --git a/tests/unit_tests/test_settings.py b/tests/unit_tests/test_settings.py
index 650bfd186..02a476251 100644
--- a/tests/unit_tests/test_settings.py
+++ b/tests/unit_tests/test_settings.py
@@ -91,7 +91,7 @@ def test_export_to_xml(run_in_tmpdir):
     assert s.sourcepoint == {'batches': [50, 150, 500, 1000], 'separate': True,
                              'write': True, 'overwrite': True, 'mcpl': True}
     assert s.statepoint == {'batches': [50, 150, 500, 1000]}
-    assert s.surf_source_read == {'path': 'surface_source_1.h5'}
+    assert s.surf_source_read['path'].name == 'surface_source_1.h5'
     assert s.surf_source_write == {'surface_ids': [2], 'max_particles': 200}
     assert s.confidence_intervals
     assert s.ptables
diff --git a/tests/unit_tests/test_source.py b/tests/unit_tests/test_source.py
index 9a19f6f24..32650d549 100644
--- a/tests/unit_tests/test_source.py
+++ b/tests/unit_tests/test_source.py
@@ -53,7 +53,7 @@ def test_spherical_uniform():
 def test_source_file():
     filename = 'source.h5'
     src = openmc.FileSource(path=filename)
-    assert src.path == filename
+    assert src.path.name == filename
 
     elem = src.to_xml_element()
     assert 'strength' in elem.attrib
@@ -61,9 +61,9 @@ def test_source_file():
 
 
 def test_source_dlopen():
-    library = './libsource.so'
-    src = openmc.CompiledSource(library=library)
-    assert src.library == library
+    library = 'libsource.so'
+    src = openmc.CompiledSource(library)
+    assert src.library.name == library
 
     elem = src.to_xml_element()
     assert 'library' in elem.attrib
diff --git a/tests/unit_tests/test_temp_interp.py b/tests/unit_tests/test_temp_interp.py
index 4c2882347..4566070cf 100644
--- a/tests/unit_tests/test_temp_interp.py
+++ b/tests/unit_tests/test_temp_interp.py
@@ -152,7 +152,7 @@ def model(tmp_path_factory):
     mat = openmc.Material()
     mat.add_nuclide('U235', 1.0)
     model.materials.append(mat)
-    model.materials.cross_sections = str(Path('cross_sections_fake.xml').resolve())
+    model.materials.cross_sections = 'cross_sections_fake.xml'
 
     sph = openmc.Sphere(r=100.0, boundary_type='reflective')
     cell = openmc.Cell(fill=mat, region=-sph)
@@ -257,7 +257,7 @@ def test_temperature_slightly_above(run_in_tmpdir):
     mat2.add_nuclide('U235', 1.0)
     mat2.temperature = 600.0
     model.materials.extend([mat1, mat2])
-    model.materials.cross_sections = str(Path('cross_sections_fake.xml').resolve())
+    model.materials.cross_sections = 'cross_sections_fake.xml'
 
     sph1 = openmc.Sphere(r=1.0)
     sph2 = openmc.Sphere(r=4.0, boundary_type='reflective')

From 91fd60be69caf42b615f79f3b75c52843009033e Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 10 Oct 2024 12:58:15 -0500
Subject: [PATCH 2168/2654] Immediately resolve complement operators for
 regions (#3145)

---
 openmc/model/surface_composite.py             |  8 -----
 openmc/region.py                              | 30 +++++++++----------
 openmc/surface.py                             |  3 +-
 .../filter_mesh/inputs_true.dat               |  2 +-
 .../filter_translations/inputs_true.dat       |  2 +-
 .../mgxs_library_mesh/inputs_true.dat         |  2 +-
 .../photon_production_inputs_true.dat         |  2 +-
 .../photon_production/inputs_true.dat         |  2 +-
 .../score_current/inputs_true.dat             |  2 +-
 tests/unit_tests/test_region.py               |  2 +-
 10 files changed, 24 insertions(+), 31 deletions(-)

diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index a2cb02438..e2a5f49c4 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -778,12 +778,6 @@ class XConeOneSided(CompositeSurface):
     def __neg__(self):
         return -self.cone & (+self.plane if self.up else -self.plane)
 
-    def __pos__(self):
-        if self.up:
-            return (+self.cone & +self.plane) | -self.plane
-        else:
-            return (+self.cone & -self.plane) | +self.plane
-
 
 class YConeOneSided(CompositeSurface):
     """One-sided cone parallel the y-axis
@@ -836,7 +830,6 @@ class YConeOneSided(CompositeSurface):
         self.up = up
 
     __neg__ = XConeOneSided.__neg__
-    __pos__ = XConeOneSided.__pos__
 
 
 class ZConeOneSided(CompositeSurface):
@@ -890,7 +883,6 @@ class ZConeOneSided(CompositeSurface):
         self.up = up
 
     __neg__ = XConeOneSided.__neg__
-    __pos__ = XConeOneSided.__pos__
 
 
 class Polygon(CompositeSurface):
diff --git a/openmc/region.py b/openmc/region.py
index e509b1528..e1cb83475 100644
--- a/openmc/region.py
+++ b/openmc/region.py
@@ -1,3 +1,4 @@
+from __future__ import annotations
 from abc import ABC, abstractmethod
 from collections.abc import MutableSequence
 from copy import deepcopy
@@ -30,8 +31,9 @@ class Region(ABC):
     def __or__(self, other):
         return Union((self, other))
 
-    def __invert__(self):
-        return Complement(self)
+    @abstractmethod
+    def __invert__(self) -> Region:
+        pass
 
     @abstractmethod
     def __contains__(self, point):
@@ -442,6 +444,9 @@ class Intersection(Region, MutableSequence):
             self.append(other)
         return self
 
+    def __invert__(self) -> Union:
+        return Union(~n for n in self)
+
     # Implement mutable sequence protocol by delegating to list
     def __getitem__(self, key):
         return self._nodes[key]
@@ -530,6 +535,9 @@ class Union(Region, MutableSequence):
             self.append(other)
         return self
 
+    def __invert__(self) -> Intersection:
+        return Intersection(~n for n in self)
+
     # Implement mutable sequence protocol by delegating to list
     def __getitem__(self, key):
         return self._nodes[key]
@@ -603,7 +611,7 @@ class Complement(Region):
 
     """
 
-    def __init__(self, node):
+    def __init__(self, node: Region):
         self.node = node
 
     def __contains__(self, point):
@@ -622,6 +630,9 @@ class Complement(Region):
         """
         return point not in self.node
 
+    def __invert__(self) -> Region:
+        return self.node
+
     def __str__(self):
         return '~' + str(self.node)
 
@@ -637,18 +648,7 @@ class Complement(Region):
 
     @property
     def bounding_box(self) -> BoundingBox:
-        # Use De Morgan's laws to distribute the complement operator so that it
-        # only applies to surface half-spaces, thus allowing us to calculate the
-        # bounding box in the usual recursive manner.
-        if isinstance(self.node, Union):
-            temp_region = Intersection(~n for n in self.node)
-        elif isinstance(self.node, Intersection):
-            temp_region = Union(~n for n in self.node)
-        elif isinstance(self.node, Complement):
-            temp_region = self.node.node
-        else:
-            temp_region = ~self.node
-        return temp_region.bounding_box
+        return (~self.node).bounding_box
 
     def get_surfaces(self, surfaces=None):
         """Recursively find and return all the surfaces referenced by the node
diff --git a/openmc/surface.py b/openmc/surface.py
index 2f10750a8..537823ba1 100644
--- a/openmc/surface.py
+++ b/openmc/surface.py
@@ -1,3 +1,4 @@
+from __future__ import annotations
 from abc import ABC, abstractmethod
 from collections.abc import Iterable
 from copy import deepcopy
@@ -2631,7 +2632,7 @@ class Halfspace(Region):
         else:
             return Union((self, other))
 
-    def __invert__(self):
+    def __invert__(self) -> Halfspace:
         return -self.surface if self.side == '+' else +self.surface
 
     def __contains__(self, point):
diff --git a/tests/regression_tests/filter_mesh/inputs_true.dat b/tests/regression_tests/filter_mesh/inputs_true.dat
index a58d58bab..0667c0341 100644
--- a/tests/regression_tests/filter_mesh/inputs_true.dat
+++ b/tests/regression_tests/filter_mesh/inputs_true.dat
@@ -12,7 +12,7 @@
   </materials>
   <geometry>
     <cell id="1" material="1" region="1 -2 3 -4 10 -9" universe="1"/>
-    <cell id="2" material="2" region="~(1 -2 3 -4) (5 -6 7 -8) 10 -9" universe="1"/>
+    <cell id="2" material="2" region="(-1 | 2 | -3 | 4) (5 -6 7 -8) 10 -9" universe="1"/>
     <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane"/>
     <surface coeffs="5.0" id="2" name="maximum x" type="x-plane"/>
     <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane"/>
diff --git a/tests/regression_tests/filter_translations/inputs_true.dat b/tests/regression_tests/filter_translations/inputs_true.dat
index a80ccd876..5004c3217 100644
--- a/tests/regression_tests/filter_translations/inputs_true.dat
+++ b/tests/regression_tests/filter_translations/inputs_true.dat
@@ -12,7 +12,7 @@
   </materials>
   <geometry>
     <cell id="1" material="1" region="1 -2 3 -4 10 -9" universe="1"/>
-    <cell id="2" material="2" region="~(1 -2 3 -4) (5 -6 7 -8) 10 -9" universe="1"/>
+    <cell id="2" material="2" region="(-1 | 2 | -3 | 4) (5 -6 7 -8) 10 -9" universe="1"/>
     <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane"/>
     <surface coeffs="5.0" id="2" name="maximum x" type="x-plane"/>
     <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane"/>
diff --git a/tests/regression_tests/mgxs_library_mesh/inputs_true.dat b/tests/regression_tests/mgxs_library_mesh/inputs_true.dat
index bb9c99026..1ecb7a2d3 100644
--- a/tests/regression_tests/mgxs_library_mesh/inputs_true.dat
+++ b/tests/regression_tests/mgxs_library_mesh/inputs_true.dat
@@ -12,7 +12,7 @@
   </materials>
   <geometry>
     <cell id="1" material="1" region="1 -2 3 -4 10 -9" universe="1"/>
-    <cell id="2" material="2" region="~(1 -2 3 -4) (5 -6 7 -8) 10 -9" universe="1"/>
+    <cell id="2" material="2" region="(-1 | 2 | -3 | 4) (5 -6 7 -8) 10 -9" universe="1"/>
     <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane"/>
     <surface coeffs="5.0" id="2" name="maximum x" type="x-plane"/>
     <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane"/>
diff --git a/tests/regression_tests/model_xml/photon_production_inputs_true.dat b/tests/regression_tests/model_xml/photon_production_inputs_true.dat
index ee6cb8862..10f0bad98 100644
--- a/tests/regression_tests/model_xml/photon_production_inputs_true.dat
+++ b/tests/regression_tests/model_xml/photon_production_inputs_true.dat
@@ -9,7 +9,7 @@
   <geometry>
     <cell id="1" material="void" region="-1 2 -3" universe="1"/>
     <cell id="2" material="1" region="-1 3 -4" universe="1"/>
-    <cell id="3" material="void" region="~(-1 2 -4)" universe="1"/>
+    <cell id="3" material="void" region="1 | -2 | 4" universe="1"/>
     <surface boundary="vacuum" coeffs="0.0 0.0 1.0" id="1" type="x-cylinder"/>
     <surface boundary="vacuum" coeffs="-1.0" id="2" type="x-plane"/>
     <surface coeffs="1.0" id="3" type="x-plane"/>
diff --git a/tests/regression_tests/photon_production/inputs_true.dat b/tests/regression_tests/photon_production/inputs_true.dat
index ee6cb8862..10f0bad98 100644
--- a/tests/regression_tests/photon_production/inputs_true.dat
+++ b/tests/regression_tests/photon_production/inputs_true.dat
@@ -9,7 +9,7 @@
   <geometry>
     <cell id="1" material="void" region="-1 2 -3" universe="1"/>
     <cell id="2" material="1" region="-1 3 -4" universe="1"/>
-    <cell id="3" material="void" region="~(-1 2 -4)" universe="1"/>
+    <cell id="3" material="void" region="1 | -2 | 4" universe="1"/>
     <surface boundary="vacuum" coeffs="0.0 0.0 1.0" id="1" type="x-cylinder"/>
     <surface boundary="vacuum" coeffs="-1.0" id="2" type="x-plane"/>
     <surface coeffs="1.0" id="3" type="x-plane"/>
diff --git a/tests/regression_tests/score_current/inputs_true.dat b/tests/regression_tests/score_current/inputs_true.dat
index 9ea8e5e4a..ddbd6c24b 100644
--- a/tests/regression_tests/score_current/inputs_true.dat
+++ b/tests/regression_tests/score_current/inputs_true.dat
@@ -12,7 +12,7 @@
   </materials>
   <geometry>
     <cell id="1" material="1" region="1 -2 3 -4 10 -9" universe="1"/>
-    <cell id="2" material="2" region="~(1 -2 3 -4) (5 -6 7 -8) 10 -9" universe="1"/>
+    <cell id="2" material="2" region="(-1 | 2 | -3 | 4) (5 -6 7 -8) 10 -9" universe="1"/>
     <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane"/>
     <surface coeffs="5.0" id="2" name="maximum x" type="x-plane"/>
     <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane"/>
diff --git a/tests/unit_tests/test_region.py b/tests/unit_tests/test_region.py
index 8c9e0afe4..cbcd19831 100644
--- a/tests/unit_tests/test_region.py
+++ b/tests/unit_tests/test_region.py
@@ -106,7 +106,7 @@ def test_complement(reset):
     assert_unbounded(outside_equiv)
 
     # string represention
-    assert str(inside) == '~(1 | -2 | 3)'
+    assert str(inside) == '(-1 2 -3)'
 
     # evaluate method
     assert (0, 0, 0) in inside

From b4a796e9b42022501798d297d5f4039a1a5dc246 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 10 Oct 2024 13:39:16 -0500
Subject: [PATCH 2169/2654] Avoid writing subnormal nuclide densities to XML
 (#3144)

---
 openmc/material.py                | 14 ++++++++++++--
 tests/unit_tests/test_material.py | 14 ++++++++++++++
 2 files changed, 26 insertions(+), 2 deletions(-)

diff --git a/openmc/material.py b/openmc/material.py
index 74a403c15..63994b305 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -5,6 +5,7 @@ from copy import deepcopy
 from numbers import Real
 from pathlib import Path
 import re
+import sys
 import warnings
 
 import lxml.etree as ET
@@ -26,6 +27,9 @@ from openmc.data.data import _get_element_symbol
 DENSITY_UNITS = ('g/cm3', 'g/cc', 'kg/m3', 'atom/b-cm', 'atom/cm3', 'sum',
                  'macro')
 
+# Smallest normalized floating point number
+_SMALLEST_NORMAL = sys.float_info.min
+
 
 NuclideTuple = namedtuple('NuclideTuple', ['name', 'percent', 'percent_type'])
 
@@ -1339,10 +1343,16 @@ class Material(IDManagerMixin):
         xml_element = ET.Element("nuclide")
         xml_element.set("name", nuclide.name)
 
+        # Prevent subnormal numbers from being written to XML, which causes an
+        # exception on the C++ side when calling std::stod
+        val = nuclide.percent
+        if abs(val) < _SMALLEST_NORMAL:
+            val = 0.0
+
         if nuclide.percent_type == 'ao':
-            xml_element.set("ao", str(nuclide.percent))
+            xml_element.set("ao", str(val))
         else:
-            xml_element.set("wo", str(nuclide.percent))
+            xml_element.set("wo", str(val))
 
         return xml_element
 
diff --git a/tests/unit_tests/test_material.py b/tests/unit_tests/test_material.py
index 94ba82571..c6a07cff9 100644
--- a/tests/unit_tests/test_material.py
+++ b/tests/unit_tests/test_material.py
@@ -683,3 +683,17 @@ def test_decay_photon_energy():
     stable.add_nuclide('Gd156', 1.0)
     stable.volume = 1.0
     assert stable.get_decay_photon_energy() is None
+
+
+def test_avoid_subnormal(run_in_tmpdir):
+    # Write a materials.xml with a material that has a nuclide density that is
+    # represented as a subnormal floating point value
+    mat = openmc.Material()
+    mat.add_nuclide('H1', 1.0)
+    mat.add_nuclide('H2', 1.0e-315)
+    mats = openmc.Materials([mat])
+    mats.export_to_xml()
+
+    # When read back in, the density should be zero
+    mats = openmc.Materials.from_xml()
+    assert mats[0].get_nuclide_atom_densities()['H2'] == 0.0

From 04ecf5490796ce023192076e35e8ffe815da8f62 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 11 Oct 2024 06:13:10 -0500
Subject: [PATCH 2170/2654] Improve clipping of Mixture distributions (#3154)

Co-authored-by: Ethan Peterson <eepeterson3@gmail.com>
---
 openmc/material.py                            |   7 +-
 openmc/stats/univariate.py                    | 126 ++++++++++++------
 src/distribution.cpp                          |   3 +
 tests/regression_tests/source/inputs_true.dat |  18 +--
 tests/unit_tests/test_stats.py                |  18 ++-
 5 files changed, 122 insertions(+), 50 deletions(-)

diff --git a/openmc/material.py b/openmc/material.py
index 63994b305..1213ea669 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -326,7 +326,7 @@ class Material(IDManagerMixin):
         probs = []
         for nuc, atoms_per_bcm in self.get_nuclide_atom_densities().items():
             source_per_atom = openmc.data.decay_photon_energy(nuc)
-            if source_per_atom is not None:
+            if source_per_atom is not None and atoms_per_bcm > 0.0:
                 dists.append(source_per_atom)
                 probs.append(1e24 * atoms_per_bcm * multiplier)
 
@@ -339,6 +339,11 @@ class Material(IDManagerMixin):
         if isinstance(combined, (Discrete, Mixture)):
             combined.clip(clip_tolerance, inplace=True)
 
+        # If clipping resulted in a single distribution within a mixture, pick
+        # out that single distribution
+        if isinstance(combined, Mixture) and len(combined.distribution) == 1:
+            combined = combined.distribution[0]
+
         return combined
 
     @classmethod
diff --git a/openmc/stats/univariate.py b/openmc/stats/univariate.py
index 10822c06f..0dc6f3856 100644
--- a/openmc/stats/univariate.py
+++ b/openmc/stats/univariate.py
@@ -97,6 +97,45 @@ class Univariate(EqualityMixin, ABC):
         return 1.0
 
 
+def _intensity_clip(intensity: Sequence[float], tolerance: float = 1e-6) -> np.ndarray:
+    """Clip low-importance points from an array of intensities.
+
+    Given an array of intensities, this function returns an array of indices for
+    points that contribute non-negligibly to the total sum of intensities.
+
+    Parameters
+    ----------
+    intensity : sequence of float
+        Intensities in arbitrary units.
+    tolerance : float
+        Maximum fraction of intensities that will be discarded.
+
+    Returns
+    -------
+    Array of indices
+
+    """
+    # Get indices of intensities from largest to smallest
+    index_sort = np.argsort(intensity)[::-1]
+
+    # Get intensities from largest to smallest
+    sorted_intensity = np.asarray(intensity)[index_sort]
+
+    # Determine cumulative sum of probabilities
+    cumsum = np.cumsum(sorted_intensity)
+    cumsum /= cumsum[-1]
+
+    # Find index that satisfies cutoff
+    index_cutoff = np.searchsorted(cumsum, 1.0 - tolerance)
+
+    # Now get indices up to cutoff
+    new_indices = index_sort[:index_cutoff + 1]
+
+    # Put back in the order of the original array and return
+    new_indices.sort()
+    return new_indices
+
+
 class Discrete(Univariate):
     """Distribution characterized by a probability mass function.
 
@@ -283,32 +322,20 @@ class Discrete(Univariate):
         cv.check_less_than("tolerance", tolerance, 1.0, equality=True)
         cv.check_greater_than("tolerance", tolerance, 0.0, equality=True)
 
-        # Determine (reversed) sorted order of probabilities
+        # Compute intensities
         intensity = self.p * self.x
-        index_sort = np.argsort(intensity)[::-1]
 
-        # Get probabilities in above order
-        sorted_intensity = intensity[index_sort]
-
-        # Determine cumulative sum of probabilities
-        cumsum = np.cumsum(sorted_intensity)
-        cumsum /= cumsum[-1]
-
-        # Find index which satisfies cutoff
-        index_cutoff = np.searchsorted(cumsum, 1.0 - tolerance)
-
-        # Now get indices up to cutoff
-        new_indices = index_sort[:index_cutoff + 1]
-        new_indices.sort()
+        # Get indices for intensities above threshold
+        indices = _intensity_clip(intensity, tolerance=tolerance)
 
         # Create new discrete distribution
         if inplace:
-            self.x = self.x[new_indices]
-            self.p = self.p[new_indices]
+            self.x = self.x[indices]
+            self.p = self.p[indices]
             return self
         else:
-            new_x = self.x[new_indices]
-            new_p = self.p[new_indices]
+            new_x = self.x[indices]
+            new_p = self.p[indices]
             return type(self)(new_x, new_p)
 
 
@@ -1206,7 +1233,7 @@ class Mixture(Univariate):
         for p in probability:
             cv.check_greater_than('mixture distribution probabilities',
                                   p, 0.0, True)
-        self._probability = probability
+        self._probability = np.array(probability, dtype=float)
 
     @property
     def distribution(self):
@@ -1312,40 +1339,63 @@ class Mixture(Univariate):
         ])
 
     def clip(self, tolerance: float = 1e-6, inplace: bool = False) -> Mixture:
-        r"""Remove low-importance points from contained discrete distributions.
+        r"""Remove low-importance points / distributions
 
-        Given a probability mass function :math:`p(x)` with :math:`\{x_1, x_2,
-        x_3, \dots\}` the possible values of the random variable with
-        corresponding probabilities :math:`\{p_1, p_2, p_3, \dots\}`, this
-        function will remove any low-importance points such that :math:`\sum_i
-        x_i p_i` is preserved to within some threshold.
+        Like :meth:`Discrete.clip`, this method will remove low-importance
+        points from discrete distributions contained within the mixture but it
+        will also clip any distributions that have negligible contributions to
+        the overall intensity.
 
         .. versionadded:: 0.14.0
 
         Parameters
         ----------
         tolerance : float
-            Maximum fraction of :math:`\sum_i x_i p_i` that will be discarded
-            for any discrete distributions within the mixture distribution.
+            Maximum fraction of intensities that will be discarded.
         inplace : bool
             Whether to modify the current object in-place or return a new one.
 
         Returns
         -------
-        Discrete distribution with low-importance points removed
+        Distribution with low-importance points / distributions removed
 
         """
+        # Determine integral of original distribution to compare later
+        original_integral = self.integral()
+
+        # Determine indices for any distributions that contribute non-negligibly
+        # to overall intensity
+        intensities = [prob*dist.integral() for prob, dist in
+                       zip(self.probability, self.distribution)]
+        indices = _intensity_clip(intensities, tolerance=tolerance)
+
+        # Clip mixture of distributions
+        probability = self.probability[indices]
+        distribution = [self.distribution[i] for i in indices]
+
+        # Clip points from Discrete distributions
+        distribution = [
+            dist.clip(tolerance, inplace) if isinstance(dist, Discrete) else dist
+            for dist in distribution
+        ]
+
         if inplace:
-            for dist in self.distribution:
-                if isinstance(dist, Discrete):
-                    dist.clip(tolerance, inplace=True)
-            return self
+            # Set attributes of current object and return
+            self.probability = probability
+            self.distribution = distribution
+            new_dist = self
         else:
-            distribution = [
-                dist.clip(tolerance) if isinstance(dist, Discrete) else dist
-                for dist in self.distribution
-            ]
-            return type(self)(self.probability, distribution)
+            # Create new distribution
+            new_dist = type(self)(probability, distribution)
+
+        # Show warning if integral of new distribution is not within
+        # tolerance of original
+        diff = (original_integral - new_dist.integral())/original_integral
+        if diff > tolerance:
+            warn("Clipping mixture distribution resulted in an integral that is "
+                    f"lower by a fraction of {diff} when tolerance={tolerance}.")
+
+        return new_dist
 
 
 def combine_distributions(
diff --git a/src/distribution.cpp b/src/distribution.cpp
index 3026630b3..a6b4acd58 100644
--- a/src/distribution.cpp
+++ b/src/distribution.cpp
@@ -394,6 +394,9 @@ Mixture::Mixture(pugi::xml_node node)
     distribution_.push_back(std::make_pair(cumsum, std::move(dist)));
   }
 
+  // Save integral of distribution
+  integral_ = cumsum;
+
   // Normalize cummulative probabilities to 1
   for (auto& pair : distribution_) {
     pair.first /= cumsum;
diff --git a/tests/regression_tests/source/inputs_true.dat b/tests/regression_tests/source/inputs_true.dat
index c1a616dd1..e787f24d4 100644
--- a/tests/regression_tests/source/inputs_true.dat
+++ b/tests/regression_tests/source/inputs_true.dat
@@ -85,13 +85,13 @@
       </space>
       <angle type="isotropic"/>
       <energy type="mixture">
-        <pair probability="1">
+        <pair probability="1.0">
           <dist parameters="1289500.0" type="maxwell"/>
         </pair>
-        <pair probability="2">
+        <pair probability="2.0">
           <dist parameters="988000.0 2.249e-06" type="watt"/>
         </pair>
-        <pair probability="3">
+        <pair probability="3.0">
           <dist interpolation="histogram" type="tabular">
             <parameters>1.0 1.3894954943731377 1.93069772888325 2.6826957952797255 3.72759372031494 5.17947467923121 7.196856730011519 10.0 13.894954943731374 19.306977288832496 26.826957952797247 37.2759372031494 51.7947467923121 71.96856730011518 100.0 138.94954943731375 193.06977288832496 268.26957952797244 372.7593720314938 517.9474679231207 719.6856730011514 1000.0 1389.4954943731375 1930.6977288832495 2682.6957952797247 3727.593720314938 5179.474679231207 7196.856730011514 10000.0 13894.95494373136 19306.977288832495 26826.95795279722 37275.93720314938 51794.74679231213 71968.56730011514 100000.0 138949.5494373136 193069.77288832495 268269.5795279722 372759.3720314938 517947.4679231202 719685.6730011514 1000000.0 1389495.494373136 1930697.7288832497 2682695.7952797217 3727593.720314938 5179474.679231202 7196856.730011513 10000000.0 0.0 2.9086439299358713e-08 5.80533561806147e-08 8.67817193689187e-08 1.1515347785771536e-07 1.4305204600565115e-07 1.7036278261198208e-07 1.9697346200185813e-07 2.227747351856934e-07 2.4766057919761985e-07 2.715287327665956e-07 2.9428111652990295e-07 3.1582423606228735e-07 3.360695660646056e-07 3.549339141332686e-07 3.723397626156721e-07 3.882155871468592e-07 4.024961505584776e-07 4.151227709522976e-07 4.260435628367196e-07 4.3521365033538783e-07 4.4259535159179273e-07 4.4815833361210174e-07 4.5187973690993757e-07 4.5374426944091084e-07 4.5374426944091084e-07 4.5187973690993757e-07 4.4815833361210174e-07 4.4259535159179273e-07 4.352136503353879e-07 4.2604356283671966e-07 4.1512277095229767e-07 4.0249615055847764e-07 3.8821558714685926e-07 3.723397626156722e-07 3.5493391413326864e-07 3.360695660646057e-07 3.158242360622874e-07 2.942811165299031e-07 2.715287327665957e-07 2.4766057919762e-07 2.2277473518569352e-07 1.9697346200185819e-07 1.7036278261198226e-07 1.4305204600565126e-07 1.1515347785771556e-07 8.678171936891881e-08 5.805335618061493e-08 2.9086439299358858e-08 5.559621115282002e-23</parameters>
           </dist>
@@ -108,13 +108,13 @@
       </space>
       <angle type="isotropic"/>
       <energy type="mixture">
-        <pair probability="1">
+        <pair probability="1.0">
           <dist parameters="1289500.0" type="maxwell"/>
         </pair>
-        <pair probability="2">
+        <pair probability="2.0">
           <dist parameters="988000.0 2.249e-06" type="watt"/>
         </pair>
-        <pair probability="3">
+        <pair probability="3.0">
           <dist interpolation="histogram" type="tabular">
             <parameters>1.0 1.3894954943731377 1.93069772888325 2.6826957952797255 3.72759372031494 5.17947467923121 7.196856730011519 10.0 13.894954943731374 19.306977288832496 26.826957952797247 37.2759372031494 51.7947467923121 71.96856730011518 100.0 138.94954943731375 193.06977288832496 268.26957952797244 372.7593720314938 517.9474679231207 719.6856730011514 1000.0 1389.4954943731375 1930.6977288832495 2682.6957952797247 3727.593720314938 5179.474679231207 7196.856730011514 10000.0 13894.95494373136 19306.977288832495 26826.95795279722 37275.93720314938 51794.74679231213 71968.56730011514 100000.0 138949.5494373136 193069.77288832495 268269.5795279722 372759.3720314938 517947.4679231202 719685.6730011514 1000000.0 1389495.494373136 1930697.7288832497 2682695.7952797217 3727593.720314938 5179474.679231202 7196856.730011513 10000000.0 0.0 2.9086439299358713e-08 5.80533561806147e-08 8.67817193689187e-08 1.1515347785771536e-07 1.4305204600565115e-07 1.7036278261198208e-07 1.9697346200185813e-07 2.227747351856934e-07 2.4766057919761985e-07 2.715287327665956e-07 2.9428111652990295e-07 3.1582423606228735e-07 3.360695660646056e-07 3.549339141332686e-07 3.723397626156721e-07 3.882155871468592e-07 4.024961505584776e-07 4.151227709522976e-07 4.260435628367196e-07 4.3521365033538783e-07 4.4259535159179273e-07 4.4815833361210174e-07 4.5187973690993757e-07 4.5374426944091084e-07 4.5374426944091084e-07 4.5187973690993757e-07 4.4815833361210174e-07 4.4259535159179273e-07 4.352136503353879e-07 4.2604356283671966e-07 4.1512277095229767e-07 4.0249615055847764e-07 3.8821558714685926e-07 3.723397626156722e-07 3.5493391413326864e-07 3.360695660646057e-07 3.158242360622874e-07 2.942811165299031e-07 2.715287327665957e-07 2.4766057919762e-07 2.2277473518569352e-07 1.9697346200185819e-07 1.7036278261198226e-07 1.4305204600565126e-07 1.1515347785771556e-07 8.678171936891881e-08 5.805335618061493e-08 2.9086439299358858e-08 5.559621115282002e-23</parameters>
           </dist>
@@ -132,13 +132,13 @@
       </space>
       <angle type="isotropic"/>
       <energy type="mixture">
-        <pair probability="1">
+        <pair probability="1.0">
           <dist parameters="1289500.0" type="maxwell"/>
         </pair>
-        <pair probability="2">
+        <pair probability="2.0">
           <dist parameters="988000.0 2.249e-06" type="watt"/>
         </pair>
-        <pair probability="3">
+        <pair probability="3.0">
           <dist interpolation="histogram" type="tabular">
             <parameters>1.0 1.3894954943731377 1.93069772888325 2.6826957952797255 3.72759372031494 5.17947467923121 7.196856730011519 10.0 13.894954943731374 19.306977288832496 26.826957952797247 37.2759372031494 51.7947467923121 71.96856730011518 100.0 138.94954943731375 193.06977288832496 268.26957952797244 372.7593720314938 517.9474679231207 719.6856730011514 1000.0 1389.4954943731375 1930.6977288832495 2682.6957952797247 3727.593720314938 5179.474679231207 7196.856730011514 10000.0 13894.95494373136 19306.977288832495 26826.95795279722 37275.93720314938 51794.74679231213 71968.56730011514 100000.0 138949.5494373136 193069.77288832495 268269.5795279722 372759.3720314938 517947.4679231202 719685.6730011514 1000000.0 1389495.494373136 1930697.7288832497 2682695.7952797217 3727593.720314938 5179474.679231202 7196856.730011513 10000000.0 0.0 2.9086439299358713e-08 5.80533561806147e-08 8.67817193689187e-08 1.1515347785771536e-07 1.4305204600565115e-07 1.7036278261198208e-07 1.9697346200185813e-07 2.227747351856934e-07 2.4766057919761985e-07 2.715287327665956e-07 2.9428111652990295e-07 3.1582423606228735e-07 3.360695660646056e-07 3.549339141332686e-07 3.723397626156721e-07 3.882155871468592e-07 4.024961505584776e-07 4.151227709522976e-07 4.260435628367196e-07 4.3521365033538783e-07 4.4259535159179273e-07 4.4815833361210174e-07 4.5187973690993757e-07 4.5374426944091084e-07 4.5374426944091084e-07 4.5187973690993757e-07 4.4815833361210174e-07 4.4259535159179273e-07 4.352136503353879e-07 4.2604356283671966e-07 4.1512277095229767e-07 4.0249615055847764e-07 3.8821558714685926e-07 3.723397626156722e-07 3.5493391413326864e-07 3.360695660646057e-07 3.158242360622874e-07 2.942811165299031e-07 2.715287327665957e-07 2.4766057919762e-07 2.2277473518569352e-07 1.9697346200185819e-07 1.7036278261198226e-07 1.4305204600565126e-07 1.1515347785771556e-07 8.678171936891881e-08 5.805335618061493e-08 2.9086439299358858e-08 5.559621115282002e-23</parameters>
           </dist>
diff --git a/tests/unit_tests/test_stats.py b/tests/unit_tests/test_stats.py
index 0414fc225..643e11556 100644
--- a/tests/unit_tests/test_stats.py
+++ b/tests/unit_tests/test_stats.py
@@ -262,7 +262,7 @@ def test_mixture():
     d2 = openmc.stats.Uniform(3, 7)
     p = [0.5, 0.5]
     mix = openmc.stats.Mixture(p, [d1, d2])
-    assert mix.probability == p
+    np.testing.assert_allclose(mix.probability, p)
     assert mix.distribution == [d1, d2]
     assert len(mix) == 4
 
@@ -274,7 +274,7 @@ def test_mixture():
     elem = mix.to_xml_element('distribution')
 
     d = openmc.stats.Mixture.from_xml_element(elem)
-    assert d.probability == p
+    np.testing.assert_allclose(d.probability, p)
     assert d.distribution == [d1, d2]
     assert len(d) == 4
 
@@ -296,6 +296,20 @@ def test_mixture_clip():
     mix_same = mix.clip(1e-6, inplace=True)
     assert mix_same is mix
 
+    # Make sure clip removes low probability distributions
+    d_small = openmc.stats.Uniform(0., 1.)
+    d_large = openmc.stats.Uniform(2., 5.)
+    mix = openmc.stats.Mixture([1e-10, 1.0], [d_small, d_large])
+    mix_clip = mix.clip(1e-3)
+    assert mix_clip.distribution == [d_large]
+
+    # Make sure warning is raised if tolerance is exceeded
+    d1 = openmc.stats.Discrete([1.0, 1.001], [1.0, 0.7e-6])
+    d2 = openmc.stats.Tabular([0.0, 1.0], [0.7e-6], interpolation='histogram')
+    mix = openmc.stats.Mixture([1.0, 1.0], [d1, d2])
+    with pytest.warns(UserWarning):
+        mix_clip = mix.clip(1e-6)
+
 
 def test_polar_azimuthal():
     # default polar-azimuthal should be uniform in mu and phi

From fc3de1cbef87780fbdd5d591d80fa54484a1882a Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 11 Oct 2024 06:15:15 -0500
Subject: [PATCH 2171/2654] Add ConicalFrustum composite surface (#3151)

Co-authored-by: Ethan Peterson <eepeterson3@gmail.com>
---
 docs/source/pythonapi/model.rst            |   1 +
 openmc/model/surface_composite.py          | 120 +++++++++++++++++++++
 tests/unit_tests/test_surface_composite.py |  44 ++++++++
 3 files changed, 165 insertions(+)

diff --git a/docs/source/pythonapi/model.rst b/docs/source/pythonapi/model.rst
index 21944018e..e7d6d320f 100644
--- a/docs/source/pythonapi/model.rst
+++ b/docs/source/pythonapi/model.rst
@@ -22,6 +22,7 @@ Composite Surfaces
    :nosignatures:
    :template: myclass.rst
 
+   openmc.model.ConicalFrustum
    openmc.model.CruciformPrism
    openmc.model.CylinderSector
    openmc.model.HexagonalPrism
diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index e2a5f49c4..df2903296 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -1717,3 +1717,123 @@ class HexagonalPrism(CompositeSurface):
             prism &= ~corners
 
         return prism
+
+
+def _rotation_matrix(v1, v2):
+    """Compute rotation matrix that would rotate v1 into v2.
+
+    Parameters
+    ----------
+    v1 : numpy.ndarray
+        Unrotated vector
+    v2 : numpy.ndarray
+        Rotated vector
+
+    Returns
+    -------
+    3x3 rotation matrix
+
+    """
+    # Normalize vectors and compute cosine
+    u1 = v1 / np.linalg.norm(v1)
+    u2 = v2 / np.linalg.norm(v2)
+    cos_angle = np.dot(u1, u2)
+
+    I = np.identity(3)
+
+    # Handle special case where vectors are parallel or anti-parallel
+    if isclose(abs(cos_angle), 1.0, rel_tol=1e-8):
+        return np.sign(cos_angle)*I
+    else:
+        # Calculate rotation angle
+        sin_angle = np.sqrt(1 - cos_angle*cos_angle)
+
+        # Calculate axis of rotation
+        axis = np.cross(u1, u2)
+        axis /= np.linalg.norm(axis)
+
+        # Create cross-product matrix K
+        kx, ky, kz = axis
+        K = np.array([
+            [0.0, -kz, ky],
+            [kz, 0.0, -kx],
+            [-ky, kx, 0.0]
+        ])
+
+        # Create rotation matrix using Rodrigues' rotation formula
+        return I + K * sin_angle + (K @ K) * (1 - cos_angle)
+
+
+class ConicalFrustum(CompositeSurface):
+    """Conical frustum.
+
+    A conical frustum, also known as a right truncated cone, is a cone that is
+    truncated by two parallel planes that are perpendicular to the axis of the
+    cone. The lower and upper base of the conical frustum are circular faces.
+    This surface is equivalent to the TRC macrobody in MCNP.
+
+    .. versionadded:: 0.15.1
+
+    Parameters
+    ----------
+    center_base : iterable of float
+        Cartesian coordinates of the center of the bottom planar face.
+    axis : iterable of float
+        Vector from the center of the bottom planar face to the center of the
+        top planar face that defines the axis of the cone. The length of this
+        vector is the height of the conical frustum.
+    r1 : float
+        Radius of the lower cone base
+    r2 : float
+        Radius of the upper cone base
+    **kwargs
+        Keyword arguments passed to underlying plane classes
+
+    Attributes
+    ----------
+    cone : openmc.Cone
+        Cone surface
+    plane_bottom : openmc.Plane
+        Plane surface defining the bottom of the frustum
+    plane_top : openmc.Plane
+        Plane surface defining the top of the frustum
+
+    """
+    _surface_names = ('cone', 'plane_bottom', 'plane_top')
+
+    def __init__(self, center_base: Sequence[float], axis: Sequence[float],
+                 r1: float, r2: float, **kwargs):
+        center_base = np.array(center_base)
+        axis = np.array(axis)
+
+        # Determine length of axis height vector
+        h = np.linalg.norm(axis)
+
+        # To create the frustum oriented with the correct axis, first we will
+        # create a cone along the z axis and then rotate it according to the
+        # given axis. Thus, we first need to determine the apex using the z axis
+        # as a reference.
+        x0, y0, z0 = center_base
+        if r1 != r2:
+            apex = z0 + r1*h/(r1 - r2)
+            r_sq = ((r1 - r2)/h)**2
+            cone = openmc.ZCone(x0, y0, apex, r2=r_sq, **kwargs)
+        else:
+            # In the degenerate case r1 == r2, the cone becomes a cylinder
+            cone = openmc.ZCylinder(x0, y0, r1, **kwargs)
+
+        # Create the parallel planes
+        plane_bottom = openmc.ZPlane(z0, **kwargs)
+        plane_top = openmc.ZPlane(z0 + h, **kwargs)
+
+        # Determine rotation matrix corresponding to specified axis
+        u = np.array([0., 0., 1.])
+        rotation = _rotation_matrix(u, axis)
+
+        # Rotate the surfaces
+        self.cone = cone.rotate(rotation, pivot=center_base)
+        self.plane_bottom = plane_bottom.rotate(rotation, pivot=center_base)
+        self.plane_top = plane_top.rotate(rotation, pivot=center_base)
+
+    def __neg__(self) -> openmc.Region:
+        return +self.plane_bottom & -self.plane_top & -self.cone
diff --git a/tests/unit_tests/test_surface_composite.py b/tests/unit_tests/test_surface_composite.py
index d862ae6b0..963bbe00d 100644
--- a/tests/unit_tests/test_surface_composite.py
+++ b/tests/unit_tests/test_surface_composite.py
@@ -552,3 +552,47 @@ def test_box():
     assert (0., 0.9, 0.) in -s
     assert (0., 0., -3.) not in +s
     assert (0., 0., 3.) not in +s
+
+
+def test_conical_frustum():
+    center_base = (0.0, 0.0, -3)
+    axis = (0., 0., 3.)
+    r1 = 2.0
+    r2 = 0.5
+    s = openmc.model.ConicalFrustum(center_base, axis, r1, r2)
+    assert isinstance(s.cone, openmc.Cone)
+    assert isinstance(s.plane_bottom, openmc.Plane)
+    assert isinstance(s.plane_top, openmc.Plane)
+
+    # Make sure boundary condition propagates
+    s.boundary_type = 'reflective'
+    assert s.boundary_type == 'reflective'
+    assert s.cone.boundary_type == 'reflective'
+    assert s.plane_bottom.boundary_type == 'reflective'
+    assert s.plane_top.boundary_type == 'reflective'
+
+    # Check bounding box
+    ll, ur = (+s).bounding_box
+    assert np.all(np.isinf(ll))
+    assert np.all(np.isinf(ur))
+    ll, ur = (-s).bounding_box
+    assert ll[2] == pytest.approx(-3.0)
+    assert ur[2] == pytest.approx(0.0)
+
+    # __contains__ on associated half-spaces
+    assert (0., 0., -1.) in -s
+    assert (0., 0., -4.) not in -s
+    assert (0., 0., 1.) not in -s
+    assert (1., 1., -2.99) in -s
+    assert (1., 1., -0.01) in +s
+
+    # translate method
+    s_t = s.translate((1., 1., 0.))
+    assert (1., 1., -0.01) in -s_t
+
+    # Make sure repr works
+    repr(s)
+
+    # Denegenerate case with r1 = r2
+    s = openmc.model.ConicalFrustum(center_base, axis, r1, r1)
+    assert (1., 1., -0.01) in -s

From 8263f05e7ed62290a1a3891ea9ff81f05b13f955 Mon Sep 17 00:00:00 2001
From: Soha <120593053+sohhae@users.noreply.github.com>
Date: Fri, 11 Oct 2024 23:11:27 -0500
Subject: [PATCH 2172/2654] Update quickinstall instructions for macOS (#3130)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 docs/source/quickinstall.rst | 11 +++++------
 1 file changed, 5 insertions(+), 6 deletions(-)

diff --git a/docs/source/quickinstall.rst b/docs/source/quickinstall.rst
index 7f222f77c..323cd7fd4 100644
--- a/docs/source/quickinstall.rst
+++ b/docs/source/quickinstall.rst
@@ -137,12 +137,11 @@ packages should be installed, for example in Homebrew via:
 
 The compiler provided by the above LLVM package should be used in place of the
 one provisioned by XCode, which does not support the multithreading library used
-by OpenMC. Consequently, the C++ compiler should explicitly be set before
-proceeding:
-
-.. code-block:: sh
-
-   export CXX=/opt/homebrew/opt/llvm/bin/clang++
+by OpenMC. To ensure CMake picks up the correct compiler, make sure that either
+the :envvar:`CXX` environment variable is set to the brew-installed ``clang++``
+or that the directory containing it is on your :envvar:`PATH` environment
+variable. Common locations for the brew-installed compiler are
+``/opt/homebrew/opt/llvm/bin`` and ``/usr/local/opt/llvm/bin``.
 
 After the packages have been installed, follow the instructions to build from
 source below.

From dcb25575ca0691ddde36af5141376c29aab884bc Mon Sep 17 00:00:00 2001
From: Lorenzo Chierici <l.chierici89@gmail.com>
Date: Mon, 14 Oct 2024 21:47:22 +0200
Subject: [PATCH 2173/2654] avoid zero division if source rate of previous
 result is zero (#3169)

---
 openmc/deplete/abc.py | 5 +++--
 1 file changed, 3 insertions(+), 2 deletions(-)

diff --git a/openmc/deplete/abc.py b/openmc/deplete/abc.py
index 7bf7f1086..784023f26 100644
--- a/openmc/deplete/abc.py
+++ b/openmc/deplete/abc.py
@@ -754,8 +754,9 @@ class Integrator(ABC):
         rates = res.rates[0]
         k = ufloat(res.k[0, 0], res.k[0, 1])
 
-        # Scale reaction rates by ratio of source rates
-        rates *= source_rate / res.source_rate
+        if res.source_rate != 0.0:
+            # Scale reaction rates by ratio of source rates
+            rates *= source_rate / res.source_rate
         return bos_conc, OperatorResult(k, rates)
 
     def _get_start_data(self):

From c19b9b1beb41ba807e4b79a413b15209ef5127b6 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Sat, 19 Oct 2024 00:12:18 +0100
Subject: [PATCH 2174/2654] added subfolders to txt search command in pyproject
 (#3174)

---
 pyproject.toml | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/pyproject.toml b/pyproject.toml
index 39aa261c1..d0419d550 100644
--- a/pyproject.toml
+++ b/pyproject.toml
@@ -63,7 +63,7 @@ include = ['openmc*', 'scripts*']
 exclude = ['tests*']
 
 [tool.setuptools.package-data]
-"openmc.data.effective_dose" = ["*.txt"]
+"openmc.data.effective_dose" = ["**/*.txt"]
 "openmc.data" = ["*.txt", "*.DAT", "*.json", "*.h5"]
 "openmc.lib" = ["libopenmc.dylib", "libopenmc.so"]
 

From 82a6f9e40b66dccca225a97202f4e8fce1b193cd Mon Sep 17 00:00:00 2001
From: Ahnaf Tahmid Chowdhury <ahnaf-tahmid@outlook.com>
Date: Sat, 19 Oct 2024 05:18:16 +0600
Subject: [PATCH 2175/2654] Update `fmt` Formatters for Compatibility with
 Versions below 11 (#3172)

---
 include/openmc/output.h   | 10 +++++++---
 include/openmc/position.h | 10 +++++++---
 2 files changed, 14 insertions(+), 6 deletions(-)

diff --git a/include/openmc/output.h b/include/openmc/output.h
index 549d2ae32..940ea78ce 100644
--- a/include/openmc/output.h
+++ b/include/openmc/output.h
@@ -76,10 +76,14 @@ struct formatter<std::array<T, 2>> {
   }
 
   template<typename FormatContext>
-  auto format(const std::array<T, 2>& arr, FormatContext& ctx) const
+#if FMT_VERSION >= 110000 // Version 11.0.0 and above
+  auto format(const std::array<T, 2>& arr, FormatContext& ctx) const {
+#else // For versions below 11.0.0
+  auto format(const std::array<T, 2>& arr, FormatContext& ctx)
   {
+#endif
     return format_to(ctx.out(), "({}, {})", arr[0], arr[1]);
-  }
-};
+}
+}; // namespace fmt
 
 } // namespace fmt
diff --git a/include/openmc/position.h b/include/openmc/position.h
index e6939dc0e..dc60ab35a 100644
--- a/include/openmc/position.h
+++ b/include/openmc/position.h
@@ -221,12 +221,16 @@ namespace fmt {
 template<>
 struct formatter<openmc::Position> : formatter<std::string> {
   template<typename FormatContext>
-  auto format(const openmc::Position& pos, FormatContext& ctx) const
+#if FMT_VERSION >= 110000 // Version 11.0.0 and above
+  auto format(const openmc::Position& pos, FormatContext& ctx) const {
+#else // For versions below 11.0.0
+  auto format(const openmc::Position& pos, FormatContext& ctx)
   {
+#endif
     return formatter<std::string>::format(
       fmt::format("({}, {}, {})", pos.x, pos.y, pos.z), ctx);
-  }
-};
+}
+}; // namespace fmt
 
 } // namespace fmt
 

From 9c9a13c48ea7dbb2984467b287314d849a1dca18 Mon Sep 17 00:00:00 2001
From: Rayan HADDAD <103775910+rayanhaddad169@users.noreply.github.com>
Date: Mon, 28 Oct 2024 17:28:59 +0100
Subject: [PATCH 2176/2654] enable polymorphisme for mix_materials (#3180)

Co-authored-by: r.haddad <r.haddad@naarea.fr>
---
 openmc/material.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/material.py b/openmc/material.py
index 1213ea669..a6401216a 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -1536,7 +1536,7 @@ class Material(IDManagerMixin):
         if name is None:
             name = '-'.join([f'{m.name}({f})' for m, f in
                              zip(materials, fracs)])
-        new_mat = openmc.Material(name=name)
+        new_mat = cls(name=name)
 
         # Compute atom fractions of nuclides and add them to the new material
         tot_nuclides_per_cc = np.sum([dens for dens in nuclides_per_cc.values()])

From 7552123c762a13be49269bf3c5bf393635109766 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Tue, 29 Oct 2024 18:05:40 +0100
Subject: [PATCH 2177/2654] added list to doc string arg for plot_xs (#3178)

---
 openmc/plotter.py | 28 ++++++++++++++++++++++------
 1 file changed, 22 insertions(+), 6 deletions(-)

diff --git a/openmc/plotter.py b/openmc/plotter.py
index 8b205b79d..c3b951ad8 100644
--- a/openmc/plotter.py
+++ b/openmc/plotter.py
@@ -1,5 +1,10 @@
+# annotations package is required to enable postponed evaluation of type
+# hints in conjugation with the | operator. This avoids TypeError: 
+# unsupported operand type(s) for |: 'str' and 'NoneType' error
+from __future__ import annotations
 from itertools import chain
 from numbers import Integral, Real
+from typing import Dict, Iterable, List
 
 import numpy as np
 
@@ -120,18 +125,29 @@ def _get_title(reactions):
         return 'Cross Section Plot'
 
 
-def plot_xs(reactions, divisor_types=None, temperature=294., axis=None,
-            sab_name=None, ce_cross_sections=None, mg_cross_sections=None,
-            enrichment=None, plot_CE=True, orders=None, divisor_orders=None,
-            energy_axis_units="eV", **kwargs):
+def plot_xs(
+    reactions: Dict[str, openmc.Material | List[str]],
+    divisor_types: Iterable[str] | None = None,
+    temperature: float = 294.0,
+    axis: "plt.Axes" | None = None,
+    sab_name: str | None = None,
+    ce_cross_sections: str | None = None,
+    mg_cross_sections: str | None = None,
+    enrichment: float | None = None,
+    plot_CE: bool = True,
+    orders: Iterable[int] | None = None,
+    divisor_orders: Iterable[int] | None = None,
+    energy_axis_units: str = "eV",
+    **kwargs,
+) -> "plt.Figure":
     """Creates a figure of continuous-energy cross sections for this item.
 
     Parameters
     ----------
     reactions : dict
         keys can be either a nuclide or element in string form or an
-        openmc.Material object. Values are the type of cross sections to
-        include in the plot.
+        openmc.Material object. Values are a list of the types of
+        cross sections to include in the plot.
     divisor_types : Iterable of values of PLOT_TYPES, optional
         Cross section types which will divide those produced by types
         before plotting. A type of 'unity' can be used to effectively not

From 339d78c5fae8ba3a815ae10097238d0099a142c4 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 6 Nov 2024 05:59:25 -0600
Subject: [PATCH 2178/2654] Fix plot_xs type hint (#3184)

---
 openmc/plotter.py | 8 ++------
 1 file changed, 2 insertions(+), 6 deletions(-)

diff --git a/openmc/plotter.py b/openmc/plotter.py
index c3b951ad8..85c4963a7 100644
--- a/openmc/plotter.py
+++ b/openmc/plotter.py
@@ -1,6 +1,3 @@
-# annotations package is required to enable postponed evaluation of type
-# hints in conjugation with the | operator. This avoids TypeError: 
-# unsupported operand type(s) for |: 'str' and 'NoneType' error
 from __future__ import annotations
 from itertools import chain
 from numbers import Integral, Real
@@ -126,7 +123,7 @@ def _get_title(reactions):
 
 
 def plot_xs(
-    reactions: Dict[str, openmc.Material | List[str]],
+    reactions: Dict[str | openmc.Material, List[str]],
     divisor_types: Iterable[str] | None = None,
     temperature: float = 294.0,
     axis: "plt.Axes" | None = None,
@@ -139,7 +136,7 @@ def plot_xs(
     divisor_orders: Iterable[int] | None = None,
     energy_axis_units: str = "eV",
     **kwargs,
-) -> "plt.Figure":
+) -> "plt.Figure" | None:
     """Creates a figure of continuous-energy cross sections for this item.
 
     Parameters
@@ -291,7 +288,6 @@ def plot_xs(
     return fig
 
 
-
 def calculate_cexs(this, types, temperature=294., sab_name=None,
                    cross_sections=None, enrichment=None, ncrystal_cfg=None):
     """Calculates continuous-energy cross sections of a requested type.

From 754f6fa44ab7c1bbb55cdaacc54aff642f1446f5 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 8 Nov 2024 15:18:15 -0600
Subject: [PATCH 2179/2654] Reset values of lattice offset tables when
 allocated (#3188)

---
 include/openmc/lattice.h | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/include/openmc/lattice.h b/include/openmc/lattice.h
index 429d81ddd..fb374ab75 100644
--- a/include/openmc/lattice.h
+++ b/include/openmc/lattice.h
@@ -71,7 +71,8 @@ public:
   //! Allocate offset table for distribcell.
   void allocate_offset_table(int n_maps)
   {
-    offsets_.resize(n_maps * universes_.size(), C_NONE);
+    offsets_.resize(n_maps * universes_.size());
+    std::fill(offsets_.begin(), offsets_.end(), C_NONE);
   }
 
   //! Populate the distribcell offset tables.

From 9983ee1a7eb9b95bd45123a9d44a021f789f0410 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Sat, 9 Nov 2024 00:52:40 +0100
Subject: [PATCH 2180/2654] allowing varible offsets for polygon.offset (#3120)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/model/surface_composite.py          | 27 ++++++++++++++++++----
 tests/unit_tests/test_surface_composite.py | 11 +++++----
 2 files changed, 30 insertions(+), 8 deletions(-)

diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index df2903296..7a5ab8f10 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -1,3 +1,4 @@
+from __future__ import annotations
 from abc import ABC, abstractmethod
 from collections.abc import Iterable, Sequence
 from copy import copy
@@ -1316,25 +1317,43 @@ class Polygon(CompositeSurface):
             surfsets.append(surf_ops)
         return surfsets
 
-    def offset(self, distance):
+    def offset(self, distance: float | Sequence[float] | np.ndarray) -> Polygon:
         """Offset this polygon by a set distance
 
         Parameters
         ----------
-        distance : float
+        distance : float or sequence of float or np.ndarray
             The distance to offset the polygon by. Positive is outward
-            (expanding) and negative is inward (shrinking).
+            (expanding) and negative is inward (shrinking). If a float is
+            provided, the same offset is applied to all vertices. If a list or
+            tuple is provided, each vertex gets a different offset. If an
+            iterable or numpy array is provided, each vertex gets a different
+            offset.
 
         Returns
         -------
         offset_polygon : openmc.model.Polygon
         """
+
+        if isinstance(distance, float):
+            distance = np.full(len(self.points), distance)
+        elif isinstance(distance, Sequence):
+            distance = np.array(distance)
+        elif not isinstance(distance, np.ndarray):
+            raise TypeError("Distance must be a float or sequence of float.")
+
+        if len(distance) != len(self.points):
+            raise ValueError(
+                f"Length of distance {len(distance)} array must "
+                f"match number of polygon points {len(self.points)}"
+            )
+
         normals = np.insert(self._normals, 0, self._normals[-1, :], axis=0)
         cos2theta = np.sum(normals[1:, :]*normals[:-1, :], axis=-1, keepdims=True)
         costheta = np.cos(np.arccos(cos2theta) / 2)
         nvec = (normals[1:, :] + normals[:-1, :])
         unit_nvec = nvec / np.linalg.norm(nvec, axis=-1, keepdims=True)
-        disp_vec = distance / costheta * unit_nvec
+        disp_vec = distance[:, np.newaxis] / costheta * unit_nvec
 
         return type(self)(self.points + disp_vec, basis=self.basis)
 
diff --git a/tests/unit_tests/test_surface_composite.py b/tests/unit_tests/test_surface_composite.py
index 963bbe00d..015ac667e 100644
--- a/tests/unit_tests/test_surface_composite.py
+++ b/tests/unit_tests/test_surface_composite.py
@@ -347,10 +347,13 @@ def test_polygon():
         assert any([points_in[i] in reg for reg in star_poly.regions])
         assert points_in[i] not in +star_poly
         assert (0, 0, 0) not in -star_poly
-        if basis != 'rz':
-            offset_star = star_poly.offset(.6)
-            assert (0, 0, 0) in -offset_star
-            assert any([(0, 0, 0) in reg for reg in offset_star.regions])
+        if basis != "rz":
+            for offsets in [0.6, np.array([0.6] * 10), [0.6] * 10]:
+                offset_star = star_poly.offset(offsets)
+                assert (0, 0, 0) in -offset_star
+                assert any([(0, 0, 0) in reg for reg in offset_star.regions])
+            with pytest.raises(ValueError):
+                star_poly.offset([0.6, 0.6])
 
     # check invalid Polygon input points
     # duplicate points not just at start and end

From 70807b146fedecd47808a9541a3ab96ca529fd20 Mon Sep 17 00:00:00 2001
From: azimG <azimgivron@yahoo.com>
Date: Sat, 9 Nov 2024 17:56:37 +0100
Subject: [PATCH 2181/2654] Update surface_composite.py (#3189)

---
 openmc/model/surface_composite.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index 7a5ab8f10..cc570cc56 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -27,7 +27,7 @@ class CompositeSurface(ABC):
         return surf
 
     def rotate(self, rotation, pivot=(0., 0., 0.), order='xyz', inplace=False):
-        surf = copy(self)
+        surf = self if inplace else copy(self)
         for name in self._surface_names:
             s = getattr(surf, name)
             setattr(surf, name, s.rotate(rotation, pivot, order, inplace))

From c05132cb0de27f9a5db39b7cb5a9882439c823d1 Mon Sep 17 00:00:00 2001
From: Nicolas Linden <nicolas@nlinden.com>
Date: Sat, 9 Nov 2024 20:33:14 +0100
Subject: [PATCH 2182/2654] add export_model_xml arguments to
 Model.plot_geometry and Model.calculate_volumes (#3190)

Co-authored-by: Nicolas Linden <n.linde@naarea.fr>
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/model/model.py | 41 +++++++++++++++++++++++++++++++++--------
 1 file changed, 33 insertions(+), 8 deletions(-)

diff --git a/openmc/model/model.py b/openmc/model/model.py
index 78f743a03..0ea6db8db 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -719,7 +719,8 @@ class Model:
 
     def calculate_volumes(self, threads=None, output=True, cwd='.',
                           openmc_exec='openmc', mpi_args=None,
-                          apply_volumes=True):
+                          apply_volumes=True, export_model_xml=True,
+                          **export_kwargs):
         """Runs an OpenMC stochastic volume calculation and, if requested,
         applies volumes to the model
 
@@ -748,6 +749,13 @@ class Model:
         apply_volumes : bool, optional
             Whether apply the volume calculation results from this calculation
             to the model. Defaults to applying the volumes.
+        export_model_xml : bool, optional
+            Exports a single model.xml file rather than separate files. Defaults
+            to True.
+        **export_kwargs
+            Keyword arguments passed to either :meth:`Model.export_to_model_xml`
+            or :meth:`Model.export_to_xml`.
+
         """
 
         if len(self.settings.volume_calculations) == 0:
@@ -769,10 +777,15 @@ class Model:
                 openmc.lib.calculate_volumes(output)
 
             else:
-                self.export_to_xml()
-                openmc.calculate_volumes(threads=threads, output=output,
-                                         openmc_exec=openmc_exec,
-                                         mpi_args=mpi_args)
+                if export_model_xml:
+                    self.export_to_model_xml(**export_kwargs)
+                else:
+                    self.export_to_xml(**export_kwargs)
+                path_input = export_kwargs.get("path", None)
+                openmc.calculate_volumes(
+                    threads=threads, output=output, openmc_exec=openmc_exec,
+                    mpi_args=mpi_args, path_input=path_input
+                )
 
             # Now we apply the volumes
             if apply_volumes:
@@ -909,7 +922,8 @@ class Model:
                     n_samples=n_samples, prn_seed=prn_seed
                 )
 
-    def plot_geometry(self, output=True, cwd='.', openmc_exec='openmc'):
+    def plot_geometry(self, output=True, cwd='.', openmc_exec='openmc',
+                      export_model_xml=True, **export_kwargs):
         """Creates plot images as specified by the Model.plots attribute
 
         .. versionadded:: 0.13.0
@@ -924,6 +938,12 @@ class Model:
         openmc_exec : str, optional
             Path to OpenMC executable. Defaults to 'openmc'.
             This only applies to the case when not using the C API.
+        export_model_xml : bool, optional
+            Exports a single model.xml file rather than separate files. Defaults
+            to True.
+        **export_kwargs
+            Keyword arguments passed to either :meth:`Model.export_to_model_xml`
+            or :meth:`Model.export_to_xml`.
 
         """
 
@@ -937,8 +957,13 @@ class Model:
                 # Compute the volumes
                 openmc.lib.plot_geometry(output)
             else:
-                self.export_to_xml()
-                openmc.plot_geometry(output=output, openmc_exec=openmc_exec)
+                if export_model_xml:
+                    self.export_to_model_xml(**export_kwargs)
+                else:
+                    self.export_to_xml(**export_kwargs)
+                path_input = export_kwargs.get("path", None)
+                openmc.plot_geometry(output=output, openmc_exec=openmc_exec,
+                                     path_input=path_input)
 
     def _change_py_lib_attribs(self, names_or_ids, value, obj_type,
                                attrib_name, density_units='atom/b-cm'):

From c9207795d87cf4407c92bf054e1930b8c592be76 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Mon, 11 Nov 2024 16:03:31 -0600
Subject: [PATCH 2183/2654] Fixes in MicroXS.from_multigroup_flux (#3192)

---
 openmc/deplete/independent_operator.py                |  5 +++--
 openmc/deplete/microxs.py                             | 10 ++++++----
 tests/unit_tests/test_deplete_decay.py                |  4 ++--
 tests/unit_tests/test_deplete_independent_operator.py |  6 +++---
 tests/unit_tests/test_deplete_microxs.py              |  8 +++++---
 5 files changed, 19 insertions(+), 14 deletions(-)

diff --git a/openmc/deplete/independent_operator.py b/openmc/deplete/independent_operator.py
index cc1a05bd9..226682ffa 100644
--- a/openmc/deplete/independent_operator.py
+++ b/openmc/deplete/independent_operator.py
@@ -44,7 +44,7 @@ class IndependentOperator(OpenMCOperator):
 
     Parameters
     ----------
-    materials : openmc.Materials
+    materials : iterable of openmc.Material
         Materials to deplete.
     fluxes : list of numpy.ndarray
         Flux in each group in [n-cm/src] for each domain
@@ -127,8 +127,9 @@ class IndependentOperator(OpenMCOperator):
                  reduce_chain_level=None,
                  fission_yield_opts=None):
         # Validate micro-xs parameters
-        check_type('materials', materials, openmc.Materials)
+        check_type('materials', materials, Iterable, openmc.Material)
         check_type('micros', micros, Iterable, MicroXS)
+        materials = openmc.Materials(materials)
 
         if not (len(fluxes) == len(micros) == len(materials)):
             msg = (f'The length of fluxes ({len(fluxes)}) should be equal to '
diff --git a/openmc/deplete/microxs.py b/openmc/deplete/microxs.py
index 5be9875f3..bbe9b2a43 100644
--- a/openmc/deplete/microxs.py
+++ b/openmc/deplete/microxs.py
@@ -198,6 +198,8 @@ class MicroXS:
     """
     def __init__(self, data: np.ndarray, nuclides: list[str], reactions: list[str]):
         # Validate inputs
+        if len(data.shape) != 3:
+            raise ValueError('Data array must be 3D.')
         if data.shape[:2] != (len(nuclides), len(reactions)):
             raise ValueError(
                 f'Nuclides list of length {len(nuclides)} and '
@@ -291,11 +293,11 @@ class MicroXS:
         mts = [REACTION_MT[name] for name in reactions]
 
         # Normalize multigroup flux
-        multigroup_flux = np.asarray(multigroup_flux)
+        multigroup_flux = np.array(multigroup_flux)
         multigroup_flux /= multigroup_flux.sum()
 
-        # Create 2D array for microscopic cross sections
-        microxs_arr = np.zeros((len(nuclides), len(mts)))
+        # Create 3D array for microscopic cross sections
+        microxs_arr = np.zeros((len(nuclides), len(mts), 1))
 
         # Create a material with all nuclides
         mat_all_nucs = openmc.Material()
@@ -327,7 +329,7 @@ class MicroXS:
                         xs = lib_nuc.collapse_rate(
                             mt, temperature, energies, multigroup_flux
                         )
-                        microxs_arr[nuc_index, mt_index] = xs
+                        microxs_arr[nuc_index, mt_index, 0] = xs
 
         return cls(microxs_arr, nuclides, reactions)
 
diff --git a/tests/unit_tests/test_deplete_decay.py b/tests/unit_tests/test_deplete_decay.py
index cebbc16fa..6e7b0b101 100644
--- a/tests/unit_tests/test_deplete_decay.py
+++ b/tests/unit_tests/test_deplete_decay.py
@@ -20,7 +20,7 @@ def test_deplete_decay_products(run_in_tmpdir):
         """)
 
     # Create MicroXS object with no cross sections
-    micro_xs = openmc.deplete.MicroXS(np.empty((0, 0)), [], [])
+    micro_xs = openmc.deplete.MicroXS(np.empty((0, 0, 0)), [], [])
 
     # Create depletion operator with no reactions
     op = openmc.deplete.IndependentOperator.from_nuclides(
@@ -59,7 +59,7 @@ def test_deplete_decay_step_fissionable(run_in_tmpdir):
     """
 
     # Set up a pure decay operator
-    micro_xs = openmc.deplete.MicroXS(np.empty((0, 0)), [], [])
+    micro_xs = openmc.deplete.MicroXS(np.empty((0, 0, 0)), [], [])
     mat = openmc.Material()
     mat.name = 'I do not decay.'
     mat.add_nuclide('U238', 1.0, 'ao')
diff --git a/tests/unit_tests/test_deplete_independent_operator.py b/tests/unit_tests/test_deplete_independent_operator.py
index 9129cf064..c765d0650 100644
--- a/tests/unit_tests/test_deplete_independent_operator.py
+++ b/tests/unit_tests/test_deplete_independent_operator.py
@@ -6,7 +6,7 @@ from pathlib import Path
 
 import pytest
 
-from openmc import Material, Materials
+from openmc import Material
 from openmc.deplete import IndependentOperator, MicroXS
 
 CHAIN_PATH = Path(__file__).parents[1] / "chain_simple.xml"
@@ -34,7 +34,7 @@ def test_operator_init():
     fuel.set_density("g/cc", 10.4)
     fuel.depletable = True
     fuel.volume = 1
-    materials = Materials([fuel])
+    materials = [fuel]
     fluxes = [1.0]
     micros = [micro_xs]
     IndependentOperator(materials, fluxes, micros, CHAIN_PATH)
@@ -47,7 +47,7 @@ def test_error_handling():
     fuel.set_density("g/cc", 1)
     fuel.depletable = True
     fuel.volume = 1
-    materials = Materials([fuel])
+    materials = [fuel]
     fluxes = [1.0, 2.0]
     micros = [micro_xs]
     with pytest.raises(ValueError, match=r"The length of fluxes \(2\)"):
diff --git a/tests/unit_tests/test_deplete_microxs.py b/tests/unit_tests/test_deplete_microxs.py
index ad54026f0..073b3f162 100644
--- a/tests/unit_tests/test_deplete_microxs.py
+++ b/tests/unit_tests/test_deplete_microxs.py
@@ -46,9 +46,7 @@ def test_from_array():
     data.shape = (12, 2, 1)
 
     MicroXS(data, nuclides, reactions)
-    with pytest.raises(ValueError, match=r'Nuclides list of length \d* and '
-                       r'reactions array of length \d* do not '
-                       r'match dimensions of data array of shape \(\d*\, \d*\)'):
+    with pytest.raises(ValueError, match='Data array must be 3D'):
         MicroXS(data[:, 0], nuclides, reactions)
 
 
@@ -96,9 +94,13 @@ def test_multigroup_flux_same():
     energies = [0., 6.25e-1, 5.53e3, 8.21e5, 2.e7]
     flux_per_ev = [0.3, 0.3, 1.0, 1.0]
     flux = flux_per_ev * np.diff(energies)
+    flux_sum = flux.sum()
     microxs_4g = MicroXS.from_multigroup_flux(
         energies=energies, multigroup_flux=flux, chain_file=chain_file)
 
+    # from_multigroup_flux should not modify the flux
+    assert flux.sum() == flux_sum
+
     # Generate micro XS based on 2-group flux, where the boundaries line up with
     # the 4 group flux and have the same flux per eV across the full energy
     # range

From 3e2a042eb199bc49c0a9e21d06591d26134837cf Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Tue, 12 Nov 2024 14:58:15 -0600
Subject: [PATCH 2184/2654] Fix documentation typo in `boundary_type` (#3196)

---
 openmc/surface.py | 66 +++++++++++++++++++++++------------------------
 1 file changed, 33 insertions(+), 33 deletions(-)

diff --git a/openmc/surface.py b/openmc/surface.py
index 537823ba1..c95025f94 100644
--- a/openmc/surface.py
+++ b/openmc/surface.py
@@ -119,7 +119,7 @@ class Surface(IDManagerMixin, ABC):
     surface_id : int, optional
         Unique identifier for the surface. If not specified, an identifier will
         automatically be assigned.
-    boundary_type : {'transmission, 'vacuum', 'reflective', 'periodic', 'white'}, optional
+    boundary_type : {'transmission', 'vacuum', 'reflective', 'periodic', 'white'}, optional
         Boundary condition that defines the behavior for particles hitting the
         surface. Defaults to transmissive boundary condition where particles
         freely pass through the surface. Note that periodic boundary conditions
@@ -135,7 +135,7 @@ class Surface(IDManagerMixin, ABC):
 
     Attributes
     ----------
-    boundary_type : {'transmission, 'vacuum', 'reflective', 'periodic', 'white'}
+    boundary_type : {'transmission', 'vacuum', 'reflective', 'periodic', 'white'}
         Boundary condition that defines the behavior for particles hitting the
         surface.
     albedo : float
@@ -683,7 +683,7 @@ class Plane(PlaneMixin, Surface):
         The 'C' parameter for the plane. Defaults to 0.
     d : float, optional
         The 'D' parameter for the plane. Defaults to 0.
-    boundary_type : {'transmission, 'vacuum', 'reflective', 'periodic', 'white'}, optional
+    boundary_type : {'transmission', 'vacuum', 'reflective', 'periodic', 'white'}, optional
         Boundary condition that defines the behavior for particles hitting the
         surface. Defaults to transmissive boundary condition where particles
         freely pass through the surface.
@@ -707,7 +707,7 @@ class Plane(PlaneMixin, Surface):
         The 'C' parameter for the plane
     d : float
         The 'D' parameter for the plane
-    boundary_type : {'transmission, 'vacuum', 'reflective', 'periodic', 'white'}
+    boundary_type : {'transmission', 'vacuum', 'reflective', 'periodic', 'white'}
         Boundary condition that defines the behavior for particles hitting the
         surface.
     albedo : float
@@ -818,7 +818,7 @@ class XPlane(PlaneMixin, Surface):
     ----------
     x0 : float, optional
         Location of the plane in [cm]. Defaults to 0.
-    boundary_type : {'transmission, 'vacuum', 'reflective', 'periodic', 'white'}, optional
+    boundary_type : {'transmission', 'vacuum', 'reflective', 'periodic', 'white'}, optional
         Boundary condition that defines the behavior for particles hitting the
         surface. Defaults to transmissive boundary condition where particles
         freely pass through the surface. Only axis-aligned periodicity is
@@ -837,7 +837,7 @@ class XPlane(PlaneMixin, Surface):
     ----------
     x0 : float
         Location of the plane in [cm]
-    boundary_type : {'transmission, 'vacuum', 'reflective', 'periodic', 'white'}
+    boundary_type : {'transmission', 'vacuum', 'reflective', 'periodic', 'white'}
         Boundary condition that defines the behavior for particles hitting the
         surface.
     albedo : float
@@ -883,7 +883,7 @@ class YPlane(PlaneMixin, Surface):
     ----------
     y0 : float, optional
         Location of the plane in [cm]
-    boundary_type : {'transmission, 'vacuum', 'reflective', 'periodic', 'white'}, optional
+    boundary_type : {'transmission', 'vacuum', 'reflective', 'periodic', 'white'}, optional
         Boundary condition that defines the behavior for particles hitting the
         surface. Defaults to transmissive boundary condition where particles
         freely pass through the surface. Only axis-aligned periodicity is
@@ -902,7 +902,7 @@ class YPlane(PlaneMixin, Surface):
     ----------
     y0 : float
         Location of the plane in [cm]
-    boundary_type : {'transmission, 'vacuum', 'reflective', 'periodic', 'white'}
+    boundary_type : {'transmission', 'vacuum', 'reflective', 'periodic', 'white'}
         Boundary condition that defines the behavior for particles hitting the
         surface.
     albedo : float
@@ -948,7 +948,7 @@ class ZPlane(PlaneMixin, Surface):
     ----------
     z0 : float, optional
         Location of the plane in [cm]. Defaults to 0.
-    boundary_type : {'transmission, 'vacuum', 'reflective', 'periodic', 'white'}, optional
+    boundary_type : {'transmission', 'vacuum', 'reflective', 'periodic', 'white'}, optional
         Boundary condition that defines the behavior for particles hitting the
         surface. Defaults to transmissive boundary condition where particles
         freely pass through the surface. Only axis-aligned periodicity is
@@ -967,7 +967,7 @@ class ZPlane(PlaneMixin, Surface):
     ----------
     z0 : float
         Location of the plane in [cm]
-    boundary_type : {'transmission, 'vacuum', 'reflective', 'periodic', 'white'}
+    boundary_type : {'transmission', 'vacuum', 'reflective', 'periodic', 'white'}
         Boundary condition that defines the behavior for particles hitting the
         surface.
     albedo : float
@@ -1197,7 +1197,7 @@ class Cylinder(QuadricMixin, Surface):
     dz : float, optional
         z-component of the vector representing the axis of the cylinder.
         Defaults to 1.
-    boundary_type : {'transmission, 'vacuum', 'reflective', 'white'}, optional
+    boundary_type : {'transmission', 'vacuum', 'reflective', 'white'}, optional
         Boundary condition that defines the behavior for particles hitting the
         surface. Defaults to transmissive boundary condition where particles
         freely pass through the surface.
@@ -1228,7 +1228,7 @@ class Cylinder(QuadricMixin, Surface):
         y-component of the vector representing the axis of the cylinder
     dz : float
         z-component of the vector representing the axis of the cylinder
-    boundary_type : {'transmission, 'vacuum', 'reflective', 'white'}
+    boundary_type : {'transmission', 'vacuum', 'reflective', 'white'}
         Boundary condition that defines the behavior for particles hitting the
         surface.
     albedo : float
@@ -1372,7 +1372,7 @@ class XCylinder(QuadricMixin, Surface):
         z-coordinate for the origin of the Cylinder in [cm]. Defaults to 0
     r : float, optional
         Radius of the cylinder in [cm]. Defaults to 1.
-    boundary_type : {'transmission, 'vacuum', 'reflective', 'white'}, optional
+    boundary_type : {'transmission', 'vacuum', 'reflective', 'white'}, optional
         Boundary condition that defines the behavior for particles hitting the
         surface. Defaults to transmissive boundary condition where particles
         freely pass through the surface.
@@ -1395,7 +1395,7 @@ class XCylinder(QuadricMixin, Surface):
         z-coordinate for the origin of the Cylinder in [cm]
     r : float
         Radius of the cylinder in [cm]
-    boundary_type : {'transmission, 'vacuum', 'reflective', 'white'}
+    boundary_type : {'transmission', 'vacuum', 'reflective', 'white'}
         Boundary condition that defines the behavior for particles hitting the
         surface.
     albedo : float
@@ -1470,7 +1470,7 @@ class YCylinder(QuadricMixin, Surface):
         z-coordinate for the origin of the Cylinder in [cm]. Defaults to 0
     r : float, optional
         Radius of the cylinder in [cm]. Defaults to 1.
-    boundary_type : {'transmission, 'vacuum', 'reflective', 'white'}, optional
+    boundary_type : {'transmission', 'vacuum', 'reflective', 'white'}, optional
         Boundary condition that defines the behavior for particles hitting the
         surface. Defaults to transmissive boundary condition where particles
         freely pass through the surface.
@@ -1493,7 +1493,7 @@ class YCylinder(QuadricMixin, Surface):
         z-coordinate for the origin of the Cylinder in [cm]
     r : float
         Radius of the cylinder in [cm]
-    boundary_type : {'transmission, 'vacuum', 'reflective', 'white'}
+    boundary_type : {'transmission', 'vacuum', 'reflective', 'white'}
         Boundary condition that defines the behavior for particles hitting the
         surface.
     albedo : float
@@ -1568,7 +1568,7 @@ class ZCylinder(QuadricMixin, Surface):
         y-coordinate for the origin of the Cylinder in [cm]. Defaults to 0
     r : float, optional
         Radius of the cylinder in [cm]. Defaults to 1.
-    boundary_type : {'transmission, 'vacuum', 'reflective', 'white'}, optional
+    boundary_type : {'transmission', 'vacuum', 'reflective', 'white'}, optional
         Boundary condition that defines the behavior for particles hitting the
         surface. Defaults to transmissive boundary condition where particles
         freely pass through the surface.
@@ -1591,7 +1591,7 @@ class ZCylinder(QuadricMixin, Surface):
         y-coordinate for the origin of the Cylinder in [cm]
     r : float
         Radius of the cylinder in [cm]
-    boundary_type : {'transmission, 'vacuum', 'reflective', 'white'}
+    boundary_type : {'transmission', 'vacuum', 'reflective', 'white'}
         Boundary condition that defines the behavior for particles hitting the
         surface.
     albedo : float
@@ -1667,7 +1667,7 @@ class Sphere(QuadricMixin, Surface):
         z-coordinate of the center of the sphere in [cm]. Defaults to 0.
     r : float, optional
         Radius of the sphere in [cm]. Defaults to 1.
-    boundary_type : {'transmission, 'vacuum', 'reflective', 'white'}, optional
+    boundary_type : {'transmission', 'vacuum', 'reflective', 'white'}, optional
         Boundary condition that defines the behavior for particles hitting the
         surface. Defaults to transmissive boundary condition where particles
         freely pass through the surface.
@@ -1691,7 +1691,7 @@ class Sphere(QuadricMixin, Surface):
         z-coordinate of the center of the sphere in [cm]
     r : float
         Radius of the sphere in [cm]
-    boundary_type : {'transmission, 'vacuum', 'reflective', 'white'}
+    boundary_type : {'transmission', 'vacuum', 'reflective', 'white'}
         Boundary condition that defines the behavior for particles hitting the
         surface.
     albedo : float
@@ -1784,7 +1784,7 @@ class Cone(QuadricMixin, Surface):
     surface_id : int, optional
         Unique identifier for the surface. If not specified, an identifier will
         automatically be assigned.
-    boundary_type : {'transmission, 'vacuum', 'reflective', 'white'}, optional
+    boundary_type : {'transmission', 'vacuum', 'reflective', 'white'}, optional
         Boundary condition that defines the behavior for particles hitting the
         surface. Defaults to transmissive boundary condition where particles
         freely pass through the surface.
@@ -1812,7 +1812,7 @@ class Cone(QuadricMixin, Surface):
         y-component of the vector representing the axis of the cone.
     dz : float
         z-component of the vector representing the axis of the cone.
-    boundary_type : {'transmission, 'vacuum', 'reflective', 'white'}
+    boundary_type : {'transmission', 'vacuum', 'reflective', 'white'}
         Boundary condition that defines the behavior for particles hitting the
         surface.
     albedo : float
@@ -1930,7 +1930,7 @@ class XCone(QuadricMixin, Surface):
         Parameter related to the aperture [:math:`\\rm cm^2`].
         It can be interpreted as the increase in the radius squared per cm along
         the cone's axis of revolution.
-    boundary_type : {'transmission, 'vacuum', 'reflective', 'white'}, optional
+    boundary_type : {'transmission', 'vacuum', 'reflective', 'white'}, optional
         Boundary condition that defines the behavior for particles hitting the
         surface. Defaults to transmissive boundary condition where particles
         freely pass through the surface.
@@ -1954,7 +1954,7 @@ class XCone(QuadricMixin, Surface):
         z-coordinate of the apex in [cm]
     r2 : float
         Parameter related to the aperature
-    boundary_type : {'transmission, 'vacuum', 'reflective', 'white'}
+    boundary_type : {'transmission', 'vacuum', 'reflective', 'white'}
         Boundary condition that defines the behavior for particles hitting the
         surface.
     albedo : float
@@ -2031,7 +2031,7 @@ class YCone(QuadricMixin, Surface):
         Parameter related to the aperture [:math:`\\rm cm^2`].
         It can be interpreted as the increase in the radius squared per cm along
         the cone's axis of revolution.
-    boundary_type : {'transmission, 'vacuum', 'reflective', 'white'}, optional
+    boundary_type : {'transmission', 'vacuum', 'reflective', 'white'}, optional
         Boundary condition that defines the behavior for particles hitting the
         surface. Defaults to transmissive boundary condition where particles
         freely pass through the surface.
@@ -2055,7 +2055,7 @@ class YCone(QuadricMixin, Surface):
         z-coordinate of the apex in [cm]
     r2 : float
         Parameter related to the aperature
-    boundary_type : {'transmission, 'vacuum', 'reflective', 'white'}
+    boundary_type : {'transmission', 'vacuum', 'reflective', 'white'}
         Boundary condition that defines the behavior for particles hitting the
         surface.
     albedo : float
@@ -2132,7 +2132,7 @@ class ZCone(QuadricMixin, Surface):
         Parameter related to the aperature [cm^2].
         This is the square of the radius of the cone 1 cm from.
         This can also be treated as the square of the slope of the cone relative to its axis.
-    boundary_type : {'transmission, 'vacuum', 'reflective', 'white'}, optional
+    boundary_type : {'transmission', 'vacuum', 'reflective', 'white'}, optional
         Boundary condition that defines the behavior for particles hitting the
         surface. Defaults to transmissive boundary condition where particles
         freely pass through the surface.
@@ -2156,7 +2156,7 @@ class ZCone(QuadricMixin, Surface):
         z-coordinate of the apex in [cm]
     r2 : float
         Parameter related to the aperature
-    boundary_type : {'transmission, 'vacuum', 'reflective', 'white'}
+    boundary_type : {'transmission', 'vacuum', 'reflective', 'white'}
         Boundary condition that defines the behavior for particles hitting the
         surface.
     albedo : float
@@ -2221,7 +2221,7 @@ class Quadric(QuadricMixin, Surface):
     ----------
     a, b, c, d, e, f, g, h, j, k : float, optional
         coefficients for the surface. All default to 0.
-    boundary_type : {'transmission, 'vacuum', 'reflective', 'white'}, optional
+    boundary_type : {'transmission', 'vacuum', 'reflective', 'white'}, optional
         Boundary condition that defines the behavior for particles hitting the
         surface. Defaults to transmissive boundary condition where particles
         freely pass through the surface.
@@ -2239,7 +2239,7 @@ class Quadric(QuadricMixin, Surface):
     ----------
     a, b, c, d, e, f, g, h, j, k : float
         coefficients for the surface
-    boundary_type : {'transmission, 'vacuum', 'reflective', 'white'}
+    boundary_type : {'transmission', 'vacuum', 'reflective', 'white'}
         Boundary condition that defines the behavior for particles hitting the
         surface.
     albedo : float
@@ -2391,7 +2391,7 @@ class XTorus(TorusMixin, Surface):
         Minor radius of the torus in [cm] (parallel to axis of revolution)
     c : float
         Minor radius of the torus in [cm] (perpendicular to axis of revolution)
-    boundary_type : {'transmission, 'vacuum', 'reflective', 'white'}
+    boundary_type : {'transmission', 'vacuum', 'reflective', 'white'}
         Boundary condition that defines the behavior for particles hitting the
         surface.
     albedo : float
@@ -2466,7 +2466,7 @@ class YTorus(TorusMixin, Surface):
         Minor radius of the torus in [cm] (parallel to axis of revolution)
     c : float
         Minor radius of the torus (perpendicular to axis of revolution)
-    boundary_type : {'transmission, 'vacuum', 'reflective', 'white'}
+    boundary_type : {'transmission', 'vacuum', 'reflective', 'white'}
         Boundary condition that defines the behavior for particles hitting the
         surface.
     albedo : float
@@ -2541,7 +2541,7 @@ class ZTorus(TorusMixin, Surface):
         Minor radius of the torus in [cm] (parallel to axis of revolution)
     c : float
         Minor radius of the torus in [cm] (perpendicular to axis of revolution)
-    boundary_type : {'transmission, 'vacuum', 'reflective', 'white'}
+    boundary_type : {'transmission', 'vacuum', 'reflective', 'white'}
         Boundary condition that defines the behavior for particles hitting the
         surface.
     albedo : float

From 0ecd45c90651698518673368290fc58d90e8a5e8 Mon Sep 17 00:00:00 2001
From: Seda Yilmaz <133794379+nsedayilmaz@users.noreply.github.com>
Date: Wed, 13 Nov 2024 02:11:59 +0300
Subject: [PATCH 2185/2654] Add a vessel composite surface with ellipsoids on
 top and bottom. (#3168)

Co-authored-by: Patrick Shriwise <pshriwise@gmail.com>
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 docs/source/pythonapi/model.rst            |   1 +
 openmc/model/surface_composite.py          | 105 ++++++++++++++++++++-
 tests/unit_tests/test_surface_composite.py |  49 ++++++++++
 3 files changed, 150 insertions(+), 5 deletions(-)

diff --git a/docs/source/pythonapi/model.rst b/docs/source/pythonapi/model.rst
index e7d6d320f..3034826bd 100644
--- a/docs/source/pythonapi/model.rst
+++ b/docs/source/pythonapi/model.rst
@@ -32,6 +32,7 @@ Composite Surfaces
    openmc.model.RectangularParallelepiped
    openmc.model.RectangularPrism
    openmc.model.RightCircularCylinder
+   openmc.model.Vessel
    openmc.model.XConeOneSided
    openmc.model.YConeOneSided
    openmc.model.ZConeOneSided
diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index cc570cc56..1f25b9ca6 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -41,9 +41,11 @@ class CompositeSurface(ABC):
     def boundary_type(self, boundary_type):
         # Set boundary type on underlying surfaces, but not for ambiguity plane
         # on one-sided cones
+        classes = (XConeOneSided, YConeOneSided, ZConeOneSided, Vessel)
         for name in self._surface_names:
-            if name != 'plane':
-                getattr(self, name).boundary_type = boundary_type
+            if isinstance(self, classes) and name.startswith('plane'):
+                continue
+            getattr(self, name).boundary_type = boundary_type
 
     def __repr__(self):
         return f"<{type(self).__name__} at 0x{id(self):x}>"
@@ -90,8 +92,8 @@ class CylinderSector(CompositeSurface):
         counterclockwise direction with respect to the first basis axis
         (+y, +z, or +x). Must be greater than :attr:`theta1`.
     center : iterable of float
-       Coordinate for central axes of cylinders in the (y, z), (x, z), or (x, y)
-       basis. Defaults to (0,0).
+        Coordinate for central axes of cylinders in the (y, z), (x, z), or (x, y)
+        basis. Defaults to (0,0).
     axis : {'x', 'y', 'z'}
         Central axis of the cylinders defining the inner and outer surfaces of
         the sector. Defaults to 'z'.
@@ -119,7 +121,7 @@ class CylinderSector(CompositeSurface):
                  r2,
                  theta1,
                  theta2,
-                 center=(0.,0.),
+                 center=(0., 0.),
                  axis='z',
                  **kwargs):
 
@@ -1856,3 +1858,96 @@ class ConicalFrustum(CompositeSurface):
 
     def __neg__(self) -> openmc.Region:
         return +self.plane_bottom & -self.plane_top & -self.cone
+
+
+class Vessel(CompositeSurface):
+    """Vessel composed of cylinder with semi-ellipsoid top and bottom.
+
+    This composite surface is represented by a finite cylinder with ellipsoidal
+    top and bottom surfaces. This surface is equivalent to the 'vesesl' surface
+    in Serpent.
+
+    .. versionadded:: 0.15.1
+
+    Parameters
+    ----------
+    r : float
+        Radius of vessel.
+    p1 : float
+        Minimum coordinate for cylindrical part of vessel.
+    p2 : float
+        Maximum coordinate for cylindrical part of vessel.
+    h1 : float
+        Height of bottom ellipsoidal part of vessel.
+    h2 : float
+        Height of top ellipsoidal part of vessel.
+    center : 2-tuple of float
+        Coordinate for central axis of the cylinder in the (y, z), (x, z), or
+        (x, y) basis. Defaults to (0,0).
+    axis : {'x', 'y', 'z'}
+        Central axis of the cylinder.
+
+    """
+
+    _surface_names = ('cyl', 'plane_bottom', 'plane_top', 'bottom', 'top')
+
+    def __init__(self, r: float, p1: float, p2: float, h1: float, h2: float,
+                 center: Sequence[float] = (0., 0.), axis: str = 'z', **kwargs):
+        if p1 >= p2:
+            raise ValueError('p1 must be less than p2')
+        check_value('axis', axis, {'x', 'y', 'z'})
+
+        c1, c2 = center
+        cyl_class = getattr(openmc, f'{axis.upper()}Cylinder')
+        plane_class = getattr(openmc, f'{axis.upper()}Plane')
+        self.cyl = cyl_class(c1, c2, r, **kwargs)
+        self.plane_bottom = plane_class(p1)
+        self.plane_top = plane_class(p2)
+
+        # General equation for an ellipsoid:
+        #   (x-x₀)²/r² + (y-y₀)²/r² + (z-z₀)²/h² = 1
+        #   (x-x₀)² + (y-y₀)² + (z-z₀)²s² = r²
+        # Let s = r/h:
+        #   (x² - 2x₀x + x₀²) + (y² - 2y₀y + y₀²) + (z² - 2z₀z + z₀²)s² = r²
+        #   x² + y² + s²z² - 2x₀x - 2y₀y - 2s²z₀z + (x₀² + y₀² + z₀²s² - r²) = 0
+
+        sb = (r/h1)
+        st = (r/h2)
+        kwargs['a'] = kwargs['b'] = kwargs['c'] = 1.0
+        kwargs_bottom = kwargs
+        kwargs_top = kwargs.copy()
+
+        sb2 = sb*sb
+        st2 = st*st
+        kwargs_bottom['k'] = c1*c1 + c2*c2 + p1*p1*sb2 - r*r
+        kwargs_top['k'] = c1*c1 + c2*c2 + p2*p2*st2 - r*r
+
+        if axis == 'x':
+            kwargs_bottom['a'] *= sb2
+            kwargs_top['a'] *= st2
+            kwargs_bottom['g'] = -2*p1*sb2
+            kwargs_top['g'] = -2*p2*st2
+            kwargs_top['h'] = kwargs_bottom['h'] = -2*c1
+            kwargs_top['j'] = kwargs_bottom['j'] = -2*c2
+        elif axis == 'y':
+            kwargs_bottom['b'] *= sb2
+            kwargs_top['b'] *= st2
+            kwargs_top['g'] = kwargs_bottom['g'] = -2*c1
+            kwargs_bottom['h'] = -2*p1*sb2
+            kwargs_top['h'] = -2*p2*st2
+            kwargs_top['j'] = kwargs_bottom['j'] = -2*c2
+        elif axis == 'z':
+            kwargs_bottom['c'] *= sb2
+            kwargs_top['c'] *= st2
+            kwargs_top['g'] = kwargs_bottom['g'] = -2*c1
+            kwargs_top['h'] = kwargs_bottom['h'] = -2*c2
+            kwargs_bottom['j'] = -2*p1*sb2
+            kwargs_top['j'] = -2*p2*st2
+
+        self.bottom = openmc.Quadric(**kwargs_bottom)
+        self.top = openmc.Quadric(**kwargs_top)
+
+    def __neg__(self):
+        return ((-self.cyl & +self.plane_bottom & -self.plane_top) |
+                (-self.bottom & -self.plane_bottom) |
+                (-self.top & +self.plane_top))
diff --git a/tests/unit_tests/test_surface_composite.py b/tests/unit_tests/test_surface_composite.py
index 015ac667e..da7ffbcc4 100644
--- a/tests/unit_tests/test_surface_composite.py
+++ b/tests/unit_tests/test_surface_composite.py
@@ -599,3 +599,52 @@ def test_conical_frustum():
     # Denegenerate case with r1 = r2
     s = openmc.model.ConicalFrustum(center_base, axis, r1, r1)
     assert (1., 1., -0.01) in -s
+
+
+def test_vessel():
+    center = (3.0, 2.0)
+    r = 1.0
+    p1, p2 = -5.0, 5.0
+    h1 = h2 = 1.0
+    s = openmc.model.Vessel(r, p1, p2, h1, h2, center)
+    assert isinstance(s.cyl, openmc.Cylinder)
+    assert isinstance(s.plane_bottom, openmc.Plane)
+    assert isinstance(s.plane_top, openmc.Plane)
+    assert isinstance(s.bottom, openmc.Quadric)
+    assert isinstance(s.top, openmc.Quadric)
+
+    # Make sure boundary condition propagates (but not for planes)
+    s.boundary_type = 'reflective'
+    assert s.boundary_type == 'reflective'
+    assert s.cyl.boundary_type == 'reflective'
+    assert s.bottom.boundary_type == 'reflective'
+    assert s.top.boundary_type == 'reflective'
+    assert s.plane_bottom.boundary_type == 'transmission'
+    assert s.plane_top.boundary_type == 'transmission'
+
+    # Check bounding box
+    ll, ur = (+s).bounding_box
+    assert np.all(np.isinf(ll))
+    assert np.all(np.isinf(ur))
+    ll, ur = (-s).bounding_box
+    assert np.all(np.isinf(ll))
+    assert np.all(np.isinf(ur))
+
+    # __contains__ on associated half-spaces
+    assert (3., 2., 0.) in -s
+    assert (3., 2., -5.0) in -s
+    assert (3., 2., 5.0) in -s
+    assert (3., 2., -5.9) in -s
+    assert (3., 2., 5.9) in -s
+    assert (3., 2., -6.1) not in -s
+    assert (3., 2., 6.1) not in -s
+    assert (4.5, 2., 0.) in +s
+    assert (3., 3.2, 0.) in +s
+    assert (3., 2., 7.) in +s
+
+    # translate method
+    s_t = s.translate((0., 0., 1.))
+    assert (3., 2., 6.1) in -s_t
+
+    # Make sure repr works
+    repr(s)

From 58400cbf1099fdaa73cc4ae17167cd0e8b52c97d Mon Sep 17 00:00:00 2001
From: Paul Wilson <paul.wilson@wisc.edu>
Date: Wed, 13 Nov 2024 15:39:41 -0600
Subject: [PATCH 2186/2654] Add PointCloud spatial distribution (#3161)

Co-authored-by: Patrick Shriwise <pshriwise@gmail.com>
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 docs/source/io_formats/settings.rst   |  56 ++++++++++---
 docs/source/pythonapi/stats.rst       |   1 +
 docs/source/usersguide/settings.rst   |   4 +-
 include/openmc/distribution_spatial.h |  20 +++++
 include/openmc/xml_interface.h        |   3 +
 openmc/stats/multivariate.py          | 114 ++++++++++++++++++++++++++
 src/distribution_spatial.cpp          |  45 ++++++++++
 src/xml_interface.cpp                 |  19 +++++
 tests/unit_tests/test_source.py       |  56 +++++++++++++
 9 files changed, 306 insertions(+), 12 deletions(-)

diff --git a/docs/source/io_formats/settings.rst b/docs/source/io_formats/settings.rst
index 2c6c32656..34b73fc55 100644
--- a/docs/source/io_formats/settings.rst
+++ b/docs/source/io_formats/settings.rst
@@ -579,24 +579,38 @@ attributes/sub-elements:
 
     :type:
       The type of spatial distribution. Valid options are "box", "fission",
-      "point", "cartesian", "cylindrical", and "spherical". A "box" spatial
-      distribution has coordinates sampled uniformly in a parallelepiped. A
-      "fission" spatial distribution samples locations from a "box"
+      "point", "cartesian", "cylindrical", "spherical", "mesh", and "cloud".
+
+      A "box" spatial distribution has coordinates sampled uniformly in a
+      parallelepiped.
+
+      A "fission" spatial distribution samples locations from a "box"
       distribution but only locations in fissionable materials are accepted.
+
       A "point" spatial distribution has coordinates specified by a triplet.
+
       A "cartesian" spatial distribution specifies independent distributions of
-      x-, y-, and z-coordinates. A "cylindrical" spatial distribution specifies
-      independent distributions of r-, phi-, and z-coordinates where phi is the
-      azimuthal angle and the origin for the cylindrical coordinate system is
-      specified by origin. A "spherical" spatial distribution specifies
-      independent distributions of r-, cos_theta-, and phi-coordinates where
-      cos_theta is the cosine of the angle with respect to the z-axis, phi is
-      the azimuthal angle, and the sphere is centered on the coordinate
-      (x0,y0,z0). A "mesh" spatial distribution samples source sites from a mesh element
+      x-, y-, and z-coordinates.
+
+      A "cylindrical" spatial distribution specifies independent distributions
+      of r-, phi-, and z-coordinates where phi is the azimuthal angle and the
+      origin for the cylindrical coordinate system is specified by origin.
+
+      A "spherical" spatial distribution specifies independent distributions of
+      r-, cos_theta-, and phi-coordinates where cos_theta is the cosine of the
+      angle with respect to the z-axis, phi is the azimuthal angle, and the
+      sphere is centered on the coordinate (x0,y0,z0).
+
+      A "mesh" spatial distribution samples source sites from a mesh element
       based on the relative strengths provided in the node. Source locations
       within an element are sampled isotropically. If no strengths are provided,
       the space within the mesh is uniformly sampled.
 
+      A "cloud" spatial distribution samples source sites from a list of spatial
+      positions provided in the node, based on the relative strengths provided
+      in the node. If no strengths are provided, the positions are uniformly
+      sampled.
+
       *Default*: None
 
     :parameters:
@@ -662,6 +676,26 @@ attributes/sub-elements:
       For "cylindrical and "spherical" distributions, this element specifies
       the coordinates for the origin of the coordinate system.
 
+    :mesh_id:
+      For "mesh" spatial distributions, this element specifies which mesh ID to
+      use for the geometric description of the mesh.
+
+    :coords:
+      For "cloud" distributions, this element specifies a list of coordinates
+      for each of the points in the cloud.
+
+    :strengths:
+      For "mesh" and "cloud" spatial distributions, this element specifies the
+      relative source strength of each mesh element or each point in the cloud.
+
+    :volume_normalized:
+      For "mesh" spatial distrubtions, this optional boolean element specifies
+      whether the vector of relative strengths should be multiplied by the mesh
+      element volume. This is most common if the strengths represent a source
+      per unit volume.
+
+      *Default*: false
+
   :angle:
     An element specifying the angular distribution of source sites. This element
     has the following attributes:
diff --git a/docs/source/pythonapi/stats.rst b/docs/source/pythonapi/stats.rst
index b72896c18..c8318ba86 100644
--- a/docs/source/pythonapi/stats.rst
+++ b/docs/source/pythonapi/stats.rst
@@ -59,6 +59,7 @@ Spatial Distributions
    openmc.stats.Box
    openmc.stats.Point
    openmc.stats.MeshSpatial
+   openmc.stats.PointCloud
 
 .. autosummary::
    :toctree: generated
diff --git a/docs/source/usersguide/settings.rst b/docs/source/usersguide/settings.rst
index 4111481a9..349aa34d0 100644
--- a/docs/source/usersguide/settings.rst
+++ b/docs/source/usersguide/settings.rst
@@ -192,7 +192,9 @@ distributions using spherical or cylindrical coordinates, you can use
 :class:`openmc.stats.SphericalIndependent` or
 :class:`openmc.stats.CylindricalIndependent`, respectively. Meshes can also be
 used to represent spatial distributions with :class:`openmc.stats.MeshSpatial`
-by specifying a mesh and source strengths for each mesh element.
+by specifying a mesh and source strengths for each mesh element. It is also
+possible to define a "cloud" of source points, each with a different relative
+probability, using :class:`openmc.stats.PointCloud`.
 
 The angular distribution can be set equal to a sub-class of
 :class:`openmc.stats.UnitSphere` such as :class:`openmc.stats.Isotropic`,
diff --git a/include/openmc/distribution_spatial.h b/include/openmc/distribution_spatial.h
index 28568c890..8ff766d13 100644
--- a/include/openmc/distribution_spatial.h
+++ b/include/openmc/distribution_spatial.h
@@ -136,6 +136,26 @@ private:
                                 //!< mesh element indices
 };
 
+//==============================================================================
+//! Distribution of points
+//==============================================================================
+
+class PointCloud : public SpatialDistribution {
+public:
+  explicit PointCloud(pugi::xml_node node);
+  explicit PointCloud(
+    std::vector<Position> point_cloud, gsl::span<const double> strengths);
+
+  //! Sample a position from the distribution
+  //! \param seed Pseudorandom number seed pointer
+  //! \return Sampled position
+  Position sample(uint64_t* seed) const override;
+
+private:
+  std::vector<Position> point_cloud_;
+  DiscreteIndex point_idx_dist_; //!< Distribution of Position indices
+};
+
 //==============================================================================
 //! Uniform distribution of points over a box
 //==============================================================================
diff --git a/include/openmc/xml_interface.h b/include/openmc/xml_interface.h
index bd6554c13..f49613ecd 100644
--- a/include/openmc/xml_interface.h
+++ b/include/openmc/xml_interface.h
@@ -50,6 +50,9 @@ xt::xarray<T> get_node_xarray(
   return xt::adapt(v, shape);
 }
 
+std::vector<Position> get_node_position_array(
+  pugi::xml_node node, const char* name, bool lowercase = false);
+
 Position get_node_position(
   pugi::xml_node node, const char* name, bool lowercase = false);
 
diff --git a/openmc/stats/multivariate.py b/openmc/stats/multivariate.py
index 06c65896f..cd474fa9b 100644
--- a/openmc/stats/multivariate.py
+++ b/openmc/stats/multivariate.py
@@ -279,6 +279,8 @@ class Spatial(ABC):
             return Point.from_xml_element(elem)
         elif distribution == 'mesh':
             return MeshSpatial.from_xml_element(elem, meshes)
+        elif distribution == 'cloud':
+            return PointCloud.from_xml_element(elem)
 
 
 class CartesianIndependent(Spatial):
@@ -756,6 +758,118 @@ class MeshSpatial(Spatial):
         return cls(meshes[mesh_id], strengths, volume_normalized)
 
 
+class PointCloud(Spatial):
+    """Spatial distribution from a point cloud.
+
+    This distribution specifies a discrete list of points, with corresponding
+    relative probabilities.
+
+    .. versionadded:: 0.15.1
+
+    Parameters
+    ----------
+    positions : iterable of 3-tuples
+        The points in space to be sampled
+    strengths : iterable of float, optional
+        An iterable of values that represents the relative probabilty of each
+        point.
+
+    Attributes
+    ----------
+    positions : numpy.ndarray
+        The points in space to be sampled with shape (N, 3)
+    strengths : numpy.ndarray or None
+        An array of relative probabilities for each mesh point
+    """
+
+    def __init__(
+        self,
+        positions: Sequence[Sequence[float]],
+        strengths: Sequence[float] | None = None
+    ):
+        self.positions = positions
+        self.strengths = strengths
+
+    @property
+    def positions(self) -> np.ndarray:
+        return self._positions
+
+    @positions.setter
+    def positions(self, positions):
+        positions = np.array(positions, dtype=float)
+        if positions.ndim != 2:
+            raise ValueError('positions must be a 2D array')
+        elif positions.shape[1] != 3:
+            raise ValueError('Each position must have 3 values')
+        self._positions = positions
+
+    @property
+    def strengths(self) -> np.ndarray:
+        return self._strengths
+
+    @strengths.setter
+    def strengths(self, strengths):
+        if strengths is not None:
+            strengths = np.array(strengths, dtype=float)
+            if strengths.ndim != 1:
+                raise ValueError('strengths must be a 1D array')
+            elif strengths.size != self.positions.shape[0]:
+                raise ValueError('strengths must have the same length as positions')
+        self._strengths = strengths
+
+    @property
+    def num_strength_bins(self) -> int:
+        if self.strengths is None:
+            raise ValueError('Strengths are not set')
+        return self.strengths.size
+
+    def to_xml_element(self) -> ET.Element:
+        """Return XML representation of the spatial distribution
+
+        Returns
+        -------
+        element : lxml.etree._Element
+            XML element containing spatial distribution data
+
+        """
+        element = ET.Element('space')
+        element.set('type', 'cloud')
+
+        subelement = ET.SubElement(element, 'coords')
+        subelement.text = ' '.join(str(e) for e in self.positions.flatten())
+
+        if self.strengths is not None:
+            subelement = ET.SubElement(element, 'strengths')
+            subelement.text = ' '.join(str(e) for e in self.strengths)
+
+        return element
+
+    @classmethod
+    def from_xml_element(cls, elem: ET.Element) -> PointCloud:
+        """Generate spatial distribution from an XML element
+
+        Parameters
+        ----------
+        elem : lxml.etree._Element
+            XML element
+
+        Returns
+        -------
+        openmc.stats.PointCloud
+            Spatial distribution generated from XML element
+
+
+        """
+        coord_data = get_text(elem, 'coords')
+        positions = np.array([float(b) for b in coord_data.split()]).reshape((-1, 3))
+
+        strengths = get_text(elem, 'strengths')
+        if strengths is not None:
+            strengths = [float(b) for b in strengths.split()]
+
+        return cls(positions, strengths)
+
+
 class Box(Spatial):
     """Uniform distribution of coordinates in a rectangular cuboid.
 
diff --git a/src/distribution_spatial.cpp b/src/distribution_spatial.cpp
index 8dbd7d887..5c193a95d 100644
--- a/src/distribution_spatial.cpp
+++ b/src/distribution_spatial.cpp
@@ -26,6 +26,8 @@ unique_ptr<SpatialDistribution> SpatialDistribution::create(pugi::xml_node node)
     return UPtrSpace {new SphericalIndependent(node)};
   } else if (type == "mesh") {
     return UPtrSpace {new MeshSpatial(node)};
+  } else if (type == "cloud") {
+    return UPtrSpace {new PointCloud(node)};
   } else if (type == "box") {
     return UPtrSpace {new SpatialBox(node)};
   } else if (type == "fission") {
@@ -298,6 +300,49 @@ Position MeshSpatial::sample(uint64_t* seed) const
   return this->sample_mesh(seed).second;
 }
 
+//==============================================================================
+// PointCloud implementation
+//==============================================================================
+
+PointCloud::PointCloud(pugi::xml_node node)
+{
+  if (check_for_node(node, "coords")) {
+    point_cloud_ = get_node_position_array(node, "coords");
+  } else {
+    fatal_error("No coordinates were provided for the PointCloud "
+                "spatial distribution");
+  }
+
+  std::vector<double> strengths;
+
+  if (check_for_node(node, "strengths"))
+    strengths = get_node_array<double>(node, "strengths");
+  else
+    strengths.resize(point_cloud_.size(), 1.0);
+
+  if (strengths.size() != point_cloud_.size()) {
+    fatal_error(
+      fmt::format("Number of entries for the strengths array {} does "
+                  "not match the number of spatial points provided {}.",
+        strengths.size(), point_cloud_.size()));
+  }
+
+  point_idx_dist_.assign(strengths);
+}
+
+PointCloud::PointCloud(
+  std::vector<Position> point_cloud, gsl::span<const double> strengths)
+{
+  point_cloud_.assign(point_cloud.begin(), point_cloud.end());
+  point_idx_dist_.assign(strengths);
+}
+
+Position PointCloud::sample(uint64_t* seed) const
+{
+  int32_t index = point_idx_dist_.sample(seed);
+  return point_cloud_[index];
+}
+
 //==============================================================================
 // SpatialBox implementation
 //==============================================================================
diff --git a/src/xml_interface.cpp b/src/xml_interface.cpp
index 6ce465baf..840d3f5b8 100644
--- a/src/xml_interface.cpp
+++ b/src/xml_interface.cpp
@@ -4,6 +4,7 @@
 
 #include "openmc/error.h"
 #include "openmc/string_utils.h"
+#include "openmc/vector.h"
 
 namespace openmc {
 
@@ -48,6 +49,24 @@ bool get_node_value_bool(pugi::xml_node node, const char* name)
   return false;
 }
 
+vector<Position> get_node_position_array(
+  pugi::xml_node node, const char* name, bool lowercase)
+{
+  vector<double> coords = get_node_array<double>(node, name, lowercase);
+  if (coords.size() % 3 != 0) {
+    fatal_error(fmt::format(
+      "Incorect number of coordinates in Position array ({}) for \"{}\"",
+      coords.size(), name));
+  }
+  vector<Position> positions;
+  positions.reserve(coords.size() / 3);
+  auto it = coords.begin();
+  for (size_t i = 0; i < coords.size(); i += 3) {
+    positions.push_back({coords[i], coords[i + 1], coords[i + 2]});
+  }
+  return positions;
+}
+
 Position get_node_position(
   pugi::xml_node node, const char* name, bool lowercase)
 {
diff --git a/tests/unit_tests/test_source.py b/tests/unit_tests/test_source.py
index 32650d549..c88fbcbe6 100644
--- a/tests/unit_tests/test_source.py
+++ b/tests/unit_tests/test_source.py
@@ -1,3 +1,4 @@
+from collections import Counter
 from math import pi
 
 import openmc
@@ -49,6 +50,61 @@ def test_spherical_uniform():
 
     assert isinstance(sph_indep_function, openmc.stats.SphericalIndependent)
 
+def test_point_cloud():
+    positions = [(1, 0, 2), (0, 1, 0), (0, 0, 3), (4, 9, 2)]
+    strengths = [1, 2, 3, 4]
+
+    space = openmc.stats.PointCloud(positions, strengths)
+    np.testing.assert_equal(space.positions, positions)
+    np.testing.assert_equal(space.strengths, strengths)
+
+    src = openmc.IndependentSource(space=space)
+    assert src.space == space
+    np.testing.assert_equal(src.space.positions, positions)
+    np.testing.assert_equal(src.space.strengths, strengths)
+
+    elem = src.to_xml_element()
+    src = openmc.IndependentSource.from_xml_element(elem)
+    np.testing.assert_equal(src.space.positions, positions)
+    np.testing.assert_equal(src.space.strengths, strengths)
+
+
+def test_point_cloud_invalid():
+    with pytest.raises(ValueError, match='2D'):
+        openmc.stats.PointCloud([1, 0, 2, 0, 1, 0])
+
+    with pytest.raises(ValueError, match='3 values'):
+        openmc.stats.PointCloud([(1, 0, 2, 3), (4, 5, 2, 3)])
+
+    with pytest.raises(ValueError, match='1D'):
+        openmc.stats.PointCloud([(1, 0, 2), (4, 5, 2)], [(1, 2), (3, 4)])
+
+    with pytest.raises(ValueError, match='same length'):
+        openmc.stats.PointCloud([(1, 0, 2), (4, 5, 2)], [1, 2, 4])
+
+
+def test_point_cloud_strengths(run_in_tmpdir, sphere_box_model):
+    positions = [(1., 0., 2.), (0., 1., 0.), (0., 0., 3.), (-1., -1., 2.)]
+    strengths = [1, 2, 3, 4]
+    space = openmc.stats.PointCloud(positions, strengths)
+
+    model = sphere_box_model[0]
+    model.settings.run_mode = 'fixed source'
+    model.settings.source = openmc.IndependentSource(space=space)
+
+    try:
+        model.init_lib()
+        n_samples = 50_000
+        sites = openmc.lib.sample_external_source(n_samples)
+    finally:
+        model.finalize_lib()
+
+    count = Counter(s.r for s in sites)
+    for i, (strength, position) in enumerate(zip(strengths, positions)):
+        sampled_strength = count[position] / n_samples
+        expected_strength = pytest.approx(strength/sum(strengths), abs=0.02)
+        assert sampled_strength == expected_strength, f'Strength incorrect for {positions[i]}'
+
 
 def test_source_file():
     filename = 'source.h5'

From d30b2e801413faaee07282969955991abdf7baeb Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 13 Nov 2024 15:58:22 -0600
Subject: [PATCH 2187/2654] Fix docstring for Model.plot (#3198)

---
 openmc/model/model.py | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/openmc/model/model.py b/openmc/model/model.py
index 0ea6db8db..ffad8f503 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -820,14 +820,14 @@ class Model:
 
         Parameters
         ----------
-        n_samples : dict
+        n_samples : int, optional
             The number of source particles to sample and add to plot. Defaults
             to None which doesn't plot any particles on the plot.
         plane_tolerance: float
             When plotting a plane the source locations within the plane +/-
             the plane_tolerance will be included and those outside of the
             plane_tolerance will not be shown
-        source_kwargs : dict
+        source_kwargs : dict, optional
             Keyword arguments passed to :func:`matplotlib.pyplot.scatter`.
         **kwargs
             Keyword arguments passed to :func:`openmc.Universe.plot`

From fbb115921c71997d37e62748a077bdd369667786 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Mon, 18 Nov 2024 08:52:59 -0600
Subject: [PATCH 2188/2654] Apply weight windows at collisions in multigroup
 transport mode. (#3199)

---
 src/physics_mg.cpp | 4 ++++
 1 file changed, 4 insertions(+)

diff --git a/src/physics_mg.cpp b/src/physics_mg.cpp
index 361cf5aff..3cc0532d2 100644
--- a/src/physics_mg.cpp
+++ b/src/physics_mg.cpp
@@ -19,6 +19,7 @@
 #include "openmc/settings.h"
 #include "openmc/simulation.h"
 #include "openmc/tallies/tally.h"
+#include "openmc/weight_windows.h"
 
 namespace openmc {
 
@@ -27,6 +28,9 @@ void collision_mg(Particle& p)
   // Add to the collision counter for the particle
   p.n_collision()++;
 
+  if (settings::weight_window_checkpoint_collision)
+    apply_weight_windows(p);
+
   // Sample the reaction type
   sample_reaction(p);
 

From 172867b1df18e98c3c0ff5d5645e966f8583a63e Mon Sep 17 00:00:00 2001
From: John Tramm <john.tramm@gmail.com>
Date: Wed, 20 Nov 2024 14:15:41 -0600
Subject: [PATCH 2189/2654] Random Ray Adjoint Mode (#3191)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 docs/source/methods/random_ray.rst            |  45 +++-
 docs/source/usersguide/random_ray.rst         |  29 ++-
 include/openmc/mgxs.h                         |   2 +
 .../openmc/random_ray/flat_source_domain.h    |  21 +-
 .../openmc/random_ray/random_ray_simulation.h |   9 +-
 openmc/deplete/openmc_operator.py             |   2 +-
 openmc/settings.py                            |   9 +
 src/mgxs_interface.cpp                        |   2 +-
 src/random_ray/flat_source_domain.cpp         | 218 +++++++++-------
 src/random_ray/linear_source_domain.cpp       |  40 ++-
 src/random_ray/random_ray.cpp                 |  20 +-
 src/random_ray/random_ray_simulation.cpp      | 151 +++++++++--
 src/settings.cpp                              |   4 +
 .../__init__.py                               |   0
 .../inputs_true.dat                           | 245 ++++++++++++++++++
 .../results_true.dat                          |   9 +
 .../random_ray_adjoint_fixed_source/test.py   |  20 ++
 .../random_ray_adjoint_k_eff/__init__.py      |   0
 .../random_ray_adjoint_k_eff/inputs_true.dat  | 110 ++++++++
 .../random_ray_adjoint_k_eff/results_true.dat | 171 ++++++++++++
 .../random_ray_adjoint_k_eff/test.py          |  20 ++
 21 files changed, 958 insertions(+), 169 deletions(-)
 create mode 100644 tests/regression_tests/random_ray_adjoint_fixed_source/__init__.py
 create mode 100644 tests/regression_tests/random_ray_adjoint_fixed_source/inputs_true.dat
 create mode 100644 tests/regression_tests/random_ray_adjoint_fixed_source/results_true.dat
 create mode 100644 tests/regression_tests/random_ray_adjoint_fixed_source/test.py
 create mode 100644 tests/regression_tests/random_ray_adjoint_k_eff/__init__.py
 create mode 100644 tests/regression_tests/random_ray_adjoint_k_eff/inputs_true.dat
 create mode 100644 tests/regression_tests/random_ray_adjoint_k_eff/results_true.dat
 create mode 100644 tests/regression_tests/random_ray_adjoint_k_eff/test.py

diff --git a/docs/source/methods/random_ray.rst b/docs/source/methods/random_ray.rst
index 3d98747e4..c827c351d 100644
--- a/docs/source/methods/random_ray.rst
+++ b/docs/source/methods/random_ray.rst
@@ -542,7 +542,7 @@ in that cell for the iteration from Equation :eq:`phi_naive` to:
 .. math::
     :label: phi_missed_one
 
-    \phi_{i,g,n}^{missed} = \frac{Q_{i,g,n} }{\Sigma_{t,i,g}} 
+    \phi_{i,g,n}^{missed} = \frac{Q_{i,g,n} }{\Sigma_{t,i,g}}
 
 as the streaming operator has gone to zero. While this is obviously innacurate
 as it ignores transport, for most problems where the region is only occasionally
@@ -1060,6 +1060,49 @@ random ray and Monte Carlo, however.
   develop the scattering source by way of inactive batches before beginning
   active batches.
 
+------------------------
+Adjoint Flux Solver Mode
+------------------------
+
+The random ray solver in OpenMC can also be used to solve for the adjoint flux,
+:math:`\psi^{\dagger}`. In combination with the regular (forward) flux solution,
+the adjoint flux is useful for perturbation methods as well as for computing
+weight windows for subsequent Monte Carlo simulations. The adjoint flux can be
+thought of as the "backwards" flux, representing the flux where a particle is
+born at an absoprtion point (and typical absorption energy), and then undergoes
+transport with a transposed scattering matrix. That is, instead of sampling a
+particle and seeing where it might go as in a standard forward solve, we will
+sample an absorption location and see where the particle that was absorbed there
+might have come from. Notably, for typical neutron absorption at low energy
+levels, this means that adjoint flux particles are typically sampled at a low
+energy and then upscatter (via a transposed scattering matrix) over their
+lifetimes.
+
+In OpenMC, the random ray adjoint solver is implemented simply by transposing
+the scattering matrix, swapping :math:`\nu\Sigma_f` and :math:`\chi`, and then
+running a normal transport solve. When no external fixed source is present, no
+additional changes are needed in the transport process. However, if an external
+fixed forward source is present in the simulation problem, then an additional
+step is taken to compute the accompanying fixed adjoint source. In OpenMC, the
+adjoint flux does *not* represent a response function for a particular detector
+region. Rather, the adjoint flux is the global response, making it appropriate
+for use with weight window generation schemes for global variance reduction.
+Thus, if using a fixed source, the external source for the adjoint mode is
+simply computed as being :math:`1 / \phi`, where :math:`\phi` is the forward
+scalar flux that results from a normal forward solve (which OpenMC will run
+first automatically when in adjoint mode). The adjoint external source will be
+computed for each source region in the simulation mesh, independent of any
+tallies. The adjoint external source is always flat, even when a linear
+scattering and fission source shape is used. When in adjoint mode, all reported
+results (e.g., tallies, eigenvalues, etc.) are derived from the adjoint flux,
+even when the physical meaning is not necessarily obvious. These values are
+still reported, though we emphasize that the primary use case for adjoint mode
+is for producing adjoint flux tallies to support subsequent perturbation studies
+and weight window generation.
+
+Note that the adjoint :math:`k_{eff}` is statistically the same as the forward
+:math:`k_{eff}`, despite the flux distributions taking different shapes.
+
 ---------------------------
 Fundamental Sources of Bias
 ---------------------------
diff --git a/docs/source/usersguide/random_ray.rst b/docs/source/usersguide/random_ray.rst
index 5ca0ab6be..2b9cf6724 100644
--- a/docs/source/usersguide/random_ray.rst
+++ b/docs/source/usersguide/random_ray.rst
@@ -558,7 +558,7 @@ following methods are currently available in OpenMC:
      - Cons
    * - ``simulation_averaged``
      - Accumulates total active ray lengths in each FSR over all iterations,
-       improving the estimate of the volume in each cell each iteration. 
+       improving the estimate of the volume in each cell each iteration.
      - * Virtually unbiased after several iterations
        * Asymptotically approaches the true analytical volume
        * Typically most efficient in terms of speed vs. accuracy
@@ -593,6 +593,33 @@ estimator, the following code would be used:
 
     settings.random_ray['volume_estimator'] = 'naive'
 
+-----------------
+Adjoint Flux Mode
+-----------------
+
+The adjoint flux random ray solver mode can be enabled as:
+entire
+::
+
+    settings.random_ray['adjoint'] = True
+
+When enabled, OpenMC will first run a forward transport simulation followed by
+an adjoint transport simulation. The purpose of the forward solve is to compute
+the adjoint external source when an external source is present in the
+simulation. Simulation settings (e.g., number of rays, batches, etc.) will be
+identical for both simulations. At the conclusion of the run, all results (e.g.,
+tallies, plots, etc.) will be derived from the adjoint flux rather than the
+forward flux but are not labeled any differently. The initial forward flux
+solution will not be stored or available in the final statepoint file. Those
+wishing to do analysis requiring both the forward and adjoint solutions will
+need to run two separate simulations and load both statepoint files.
+
+.. note::
+    When adjoint mode is selected, OpenMC will always perform a full forward
+    solve and then run a full adjoint solve immediately afterwards. Statepoint
+    and tally results will be derived from the adjoint flux, but will not be
+    labeled any differently.
+
 ---------------------------------------
 Putting it All Together: Example Inputs
 ---------------------------------------
diff --git a/include/openmc/mgxs.h b/include/openmc/mgxs.h
index 3fb060810..9b1602f29 100644
--- a/include/openmc/mgxs.h
+++ b/include/openmc/mgxs.h
@@ -86,8 +86,10 @@ public:
   bool fissionable; // Is this fissionable
   bool is_isotropic {
     true}; // used to skip search for angle indices if isotropic
+  bool exists_in_model {true}; // Is this present in model
 
   Mgxs() = default;
+  Mgxs(bool exists) : exists_in_model(exists) {}
 
   //! \brief Constructor that loads the Mgxs object from the HDF5 file
   //!
diff --git a/include/openmc/random_ray/flat_source_domain.h b/include/openmc/random_ray/flat_source_domain.h
index 5c50f7fb0..b5b5db706 100644
--- a/include/openmc/random_ray/flat_source_domain.h
+++ b/include/openmc/random_ray/flat_source_domain.h
@@ -111,13 +111,17 @@ public:
   virtual void all_reduce_replicated_source_regions();
   void convert_external_sources();
   void count_external_source_regions();
+  void set_adjoint_sources(const vector<double>& forward_flux);
   virtual void flux_swap();
   virtual double evaluate_flux_at_point(Position r, int64_t sr, int g) const;
   double compute_fixed_source_normalization_factor() const;
+  void flatten_xs();
+  void transpose_scattering_matrix();
 
   //----------------------------------------------------------------------------
   // Static Data members
   static bool volume_normalized_flux_tallies_;
+  static bool adjoint_; // If the user wants outputs based on the adjoint flux
 
   //----------------------------------------------------------------------------
   // Static data members
@@ -150,6 +154,19 @@ public:
   vector<float> source_;
   vector<float> external_source_;
   vector<bool> external_source_present_;
+  vector<double> scalar_flux_final_;
+
+  // 2D arrays stored in 1D representing values for all materials x energy
+  // groups
+  int n_materials_;
+  vector<double> sigma_t_;
+  vector<double> nu_sigma_f_;
+  vector<double> sigma_f_;
+  vector<double> chi_;
+
+  // 3D arrays stored in 1D representing values for all materials x energy
+  // groups x energy groups
+  vector<double> sigma_s_;
 
 protected:
   //----------------------------------------------------------------------------
@@ -190,10 +207,6 @@ protected:
   vector<int> material_;
   vector<double> volume_naive_;
 
-  // 2D arrays stored in 1D representing values for all source regions x energy
-  // groups
-  vector<float> scalar_flux_final_;
-
   // Volumes for each tally and bin/score combination. This intermediate data
   // structure is used when tallying quantities that must be normalized by
   // volume (i.e., flux). The vector is index by tally index, while the inner 2D
diff --git a/include/openmc/random_ray/random_ray_simulation.h b/include/openmc/random_ray/random_ray_simulation.h
index 55bac6905..01f12bffb 100644
--- a/include/openmc/random_ray/random_ray_simulation.h
+++ b/include/openmc/random_ray/random_ray_simulation.h
@@ -20,6 +20,8 @@ public:
   //----------------------------------------------------------------------------
   // Methods
   void compute_segment_correction_factors();
+  void prepare_fixed_sources();
+  void prepare_fixed_sources_adjoint(vector<double>& forward_flux);
   void simulate();
   void reduce_simulation_statistics();
   void output_simulation_results() const;
@@ -30,8 +32,13 @@ public:
     int64_t n_external_source_regions) const;
 
   //----------------------------------------------------------------------------
-  // Data members
+  // Accessors
+  FlatSourceDomain* domain() const { return domain_.get(); }
+
 private:
+  //----------------------------------------------------------------------------
+  // Data members
+
   // Contains all flat source region data
   unique_ptr<FlatSourceDomain> domain_;
 
diff --git a/openmc/deplete/openmc_operator.py b/openmc/deplete/openmc_operator.py
index 5837cd2c1..049e0dd37 100644
--- a/openmc/deplete/openmc_operator.py
+++ b/openmc/deplete/openmc_operator.py
@@ -208,7 +208,7 @@ class OpenMCOperator(TransportOperator):
                 if nuclide in self.nuclides_with_data or self._decay_nucs:
                     model_nuclides.add(nuclide)
                 else:
-                    msg = (f"Nuclilde {nuclide} in material {mat.id} is not "
+                    msg = (f"Nuclide {nuclide} in material {mat.id} is not "
                            "present in the depletion chain and has no cross "
                            "section data.")
                     warn(msg)
diff --git a/openmc/settings.py b/openmc/settings.py
index 0a78fb564..a350de72e 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -170,6 +170,9 @@ class Settings:
             cm/cm^3. When disabled, flux tallies will be reported in units
             of cm (i.e., total distance traveled by neutrons in the spatial
             tally region).
+        :adjoint:
+            Whether to run the random ray solver in adjoint mode (bool). The
+            default is 'False'.
 
         .. versionadded:: 0.15.0
     resonance_scattering : dict
@@ -1113,6 +1116,8 @@ class Settings:
                                ('flat', 'linear', 'linear_xy'))
             elif key == 'volume_normalized_flux_tallies':
                 cv.check_type('volume normalized flux tallies', random_ray[key], bool)
+            elif key == 'adjoint':
+                cv.check_type('adjoint', random_ray[key], bool)
             else:
                 raise ValueError(f'Unable to set random ray to "{key}" which is '
                                  'unsupported by OpenMC')
@@ -1916,6 +1921,10 @@ class Settings:
                     self.random_ray['volume_normalized_flux_tallies'] = (
                         child.text in ('true', '1')
                     )
+                elif child.tag == 'adjoint':
+                    self.random_ray['adjoint'] = (
+                        child.text in ('true', '1')
+                    )
 
     def to_xml_element(self, mesh_memo=None):
         """Create a 'settings' element to be written to an XML file.
diff --git a/src/mgxs_interface.cpp b/src/mgxs_interface.cpp
index 0febc612b..ed734d401 100644
--- a/src/mgxs_interface.cpp
+++ b/src/mgxs_interface.cpp
@@ -146,7 +146,7 @@ void MgxsInterface::create_macro_xs()
         num_energy_groups_, num_delayed_groups_);
     } else {
       // Preserve the ordering of materials by including a blank entry
-      macro_xs_.emplace_back();
+      macro_xs_.emplace_back(false);
     }
   }
 }
diff --git a/src/random_ray/flat_source_domain.cpp b/src/random_ray/flat_source_domain.cpp
index 62768b55f..19913c03c 100644
--- a/src/random_ray/flat_source_domain.cpp
+++ b/src/random_ray/flat_source_domain.cpp
@@ -27,6 +27,7 @@ namespace openmc {
 RandomRayVolumeEstimator FlatSourceDomain::volume_estimator_ {
   RandomRayVolumeEstimator::HYBRID};
 bool FlatSourceDomain::volume_normalized_flux_tallies_ {false};
+bool FlatSourceDomain::adjoint_ {false};
 
 FlatSourceDomain::FlatSourceDomain() : negroups_(data::mg.num_energy_groups_)
 {
@@ -134,31 +135,23 @@ void FlatSourceDomain::update_neutron_source(double k_eff)
 
   double inverse_k_eff = 1.0 / k_eff;
 
-  // Temperature and angle indices, if using multiple temperature
-  // data sets and/or anisotropic data sets.
-  // TODO: Currently assumes we are only using single temp/single angle data.
-  const int t = 0;
-  const int a = 0;
-
   // Add scattering source
 #pragma omp parallel for
   for (int sr = 0; sr < n_source_regions_; sr++) {
     int material = material_[sr];
 
-    for (int e_out = 0; e_out < negroups_; e_out++) {
-      double sigma_t = data::mg.macro_xs_[material].get_xs(
-        MgxsType::TOTAL, e_out, nullptr, nullptr, nullptr, t, a);
-      double scatter_source = 0.0f;
+    for (int g_out = 0; g_out < negroups_; g_out++) {
+      double sigma_t = sigma_t_[material * negroups_ + g_out];
+      double scatter_source = 0.0;
 
-      for (int e_in = 0; e_in < negroups_; e_in++) {
-        double scalar_flux = scalar_flux_old_[sr * negroups_ + e_in];
-
-        double sigma_s = data::mg.macro_xs_[material].get_xs(
-          MgxsType::NU_SCATTER, e_in, &e_out, nullptr, nullptr, t, a);
+      for (int g_in = 0; g_in < negroups_; g_in++) {
+        double scalar_flux = scalar_flux_old_[sr * negroups_ + g_in];
+        double sigma_s =
+          sigma_s_[material * negroups_ * negroups_ + g_out * negroups_ + g_in];
         scatter_source += sigma_s * scalar_flux;
       }
 
-      source_[sr * negroups_ + e_out] = scatter_source / sigma_t;
+      source_[sr * negroups_ + g_out] = scatter_source / sigma_t;
     }
   }
 
@@ -167,20 +160,17 @@ void FlatSourceDomain::update_neutron_source(double k_eff)
   for (int sr = 0; sr < n_source_regions_; sr++) {
     int material = material_[sr];
 
-    for (int e_out = 0; e_out < negroups_; e_out++) {
-      double sigma_t = data::mg.macro_xs_[material].get_xs(
-        MgxsType::TOTAL, e_out, nullptr, nullptr, nullptr, t, a);
-      double fission_source = 0.0f;
+    for (int g_out = 0; g_out < negroups_; g_out++) {
+      double sigma_t = sigma_t_[material * negroups_ + g_out];
+      double fission_source = 0.0;
 
-      for (int e_in = 0; e_in < negroups_; e_in++) {
-        double scalar_flux = scalar_flux_old_[sr * negroups_ + e_in];
-        double nu_sigma_f = data::mg.macro_xs_[material].get_xs(
-          MgxsType::NU_FISSION, e_in, nullptr, nullptr, nullptr, t, a);
-        double chi = data::mg.macro_xs_[material].get_xs(
-          MgxsType::CHI_PROMPT, e_in, &e_out, nullptr, nullptr, t, a);
+      for (int g_in = 0; g_in < negroups_; g_in++) {
+        double scalar_flux = scalar_flux_old_[sr * negroups_ + g_in];
+        double nu_sigma_f = nu_sigma_f_[material * negroups_ + g_in];
+        double chi = chi_[material * negroups_ + g_out];
         fission_source += nu_sigma_f * scalar_flux * chi;
       }
-      source_[sr * negroups_ + e_out] +=
+      source_[sr * negroups_ + g_out] +=
         fission_source * inverse_k_eff / sigma_t;
     }
   }
@@ -188,7 +178,7 @@ void FlatSourceDomain::update_neutron_source(double k_eff)
   // Add external source if in fixed source mode
   if (settings::run_mode == RunMode::FIXED_SOURCE) {
 #pragma omp parallel for
-    for (int se = 0; se < n_source_elements_; se++) {
+    for (int64_t se = 0; se < n_source_elements_; se++) {
       source_[se] += external_source_[se];
     }
   }
@@ -206,8 +196,8 @@ void FlatSourceDomain::normalize_scalar_flux_and_volumes(
 
 // Normalize scalar flux to total distance travelled by all rays this iteration
 #pragma omp parallel for
-  for (int64_t e = 0; e < scalar_flux_new_.size(); e++) {
-    scalar_flux_new_[e] *= normalization_factor;
+  for (int64_t se = 0; se < scalar_flux_new_.size(); se++) {
+    scalar_flux_new_[se] *= normalization_factor;
   }
 
 // Accumulate cell-wise ray length tallies collected this iteration, then
@@ -223,16 +213,7 @@ void FlatSourceDomain::normalize_scalar_flux_and_volumes(
 void FlatSourceDomain::set_flux_to_flux_plus_source(
   int64_t idx, double volume, int material, int g)
 {
-  // Temperature and angle indices, if using multiple temperature
-  // data sets and/or anisotropic data sets.
-  // TODO: Currently assumes we are only using single temp/single
-  // angle data.
-  const int t = 0;
-  const int a = 0;
-
-  double sigma_t = data::mg.macro_xs_[material].get_xs(
-    MgxsType::TOTAL, g, nullptr, nullptr, nullptr, t, a);
-
+  double sigma_t = sigma_t_[material * negroups_ + g];
   scalar_flux_new_[idx] /= (sigma_t * volume);
   scalar_flux_new_[idx] += source_[idx];
 }
@@ -337,13 +318,6 @@ double FlatSourceDomain::compute_k_eff(double k_eff_old) const
   double fission_rate_old = 0;
   double fission_rate_new = 0;
 
-  // Temperature and angle indices, if using multiple temperature
-  // data sets and/or anisotropic data sets.
-  // TODO: Currently assumes we are only using single temp/single
-  // angle data.
-  const int t = 0;
-  const int a = 0;
-
   // Vector for gathering fission source terms for Shannon entropy calculation
   vector<float> p(n_source_regions_, 0.0f);
 
@@ -363,8 +337,7 @@ double FlatSourceDomain::compute_k_eff(double k_eff_old) const
 
     for (int g = 0; g < negroups_; g++) {
       int64_t idx = (sr * negroups_) + g;
-      double nu_sigma_f = data::mg.macro_xs_[material].get_xs(
-        MgxsType::NU_FISSION, g, nullptr, nullptr, nullptr, t, a);
+      double nu_sigma_f = nu_sigma_f_[material * negroups_ + g];
       sr_fission_source_old += nu_sigma_f * scalar_flux_old_[idx];
       sr_fission_source_new += nu_sigma_f * scalar_flux_new_[idx];
     }
@@ -548,7 +521,7 @@ double FlatSourceDomain::compute_fixed_source_normalization_factor() const
 {
   // If we are not in fixed source mode, then there are no external sources
   // so no normalization is needed.
-  if (settings::run_mode != RunMode::FIXED_SOURCE) {
+  if (settings::run_mode != RunMode::FIXED_SOURCE || adjoint_) {
     return 1.0;
   }
 
@@ -559,17 +532,10 @@ double FlatSourceDomain::compute_fixed_source_normalization_factor() const
   for (int sr = 0; sr < n_source_regions_; sr++) {
     int material = material_[sr];
     double volume = volume_[sr] * simulation_volume_;
-    for (int e = 0; e < negroups_; e++) {
-      // Temperature and angle indices, if using multiple temperature
-      // data sets and/or anisotropic data sets.
-      // TODO: Currently assumes we are only using single temp/single
-      // angle data.
-      const int t = 0;
-      const int a = 0;
-      double sigma_t = data::mg.macro_xs_[material].get_xs(
-        MgxsType::TOTAL, e, nullptr, nullptr, nullptr, t, a);
+    for (int g = 0; g < negroups_; g++) {
+      double sigma_t = sigma_t_[material * negroups_ + g];
       simulation_external_source_strength +=
-        external_source_[sr * negroups_ + e] * sigma_t * volume;
+        external_source_[sr * negroups_ + g] * sigma_t * volume;
     }
   }
 
@@ -603,13 +569,6 @@ void FlatSourceDomain::random_ray_tally()
   // Reset our tally volumes to zero
   reset_tally_volumes();
 
-  // Temperature and angle indices, if using multiple temperature
-  // data sets and/or anisotropic data sets.
-  // TODO: Currently assumes we are only using single temp/single
-  // angle data.
-  const int t = 0;
-  const int a = 0;
-
   double source_normalization_factor =
     compute_fixed_source_normalization_factor();
 
@@ -644,21 +603,15 @@ void FlatSourceDomain::random_ray_tally()
           break;
 
         case SCORE_TOTAL:
-          score = flux * volume *
-                  data::mg.macro_xs_[material].get_xs(
-                    MgxsType::TOTAL, g, NULL, NULL, NULL, t, a);
+          score = flux * volume * sigma_t_[material * negroups_ + g];
           break;
 
         case SCORE_FISSION:
-          score = flux * volume *
-                  data::mg.macro_xs_[material].get_xs(
-                    MgxsType::FISSION, g, NULL, NULL, NULL, t, a);
+          score = flux * volume * sigma_f_[material * negroups_ + g];
           break;
 
         case SCORE_NU_FISSION:
-          score = flux * volume *
-                  data::mg.macro_xs_[material].get_xs(
-                    MgxsType::NU_FISSION, g, NULL, NULL, NULL, t, a);
+          score = flux * volume * nu_sigma_f_[material * negroups_ + g];
           break;
 
         case SCORE_EVENTS:
@@ -957,9 +910,8 @@ void FlatSourceDomain::output_to_vtk() const
       for (int g = 0; g < negroups_; g++) {
         int64_t source_element = fsr * negroups_ + g;
         float flux = evaluate_flux_at_point(voxel_positions[i], fsr, g);
-        float Sigma_f = data::mg.macro_xs_[mat].get_xs(
-          MgxsType::FISSION, g, nullptr, nullptr, nullptr, 0, 0);
-        total_fission += Sigma_f * flux;
+        double sigma_f = sigma_f_[mat * negroups_ + g];
+        total_fission += sigma_f * flux;
       }
       total_fission = convert_to_big_endian<float>(total_fission);
       std::fwrite(&total_fission, sizeof(float), 1, plot);
@@ -977,10 +929,10 @@ void FlatSourceDomain::apply_external_source_to_source_region(
   const auto& discrete_energies = discrete->x();
   const auto& discrete_probs = discrete->prob();
 
-  for (int e = 0; e < discrete_energies.size(); e++) {
-    int g = data::mg.get_group_index(discrete_energies[e]);
+  for (int i = 0; i < discrete_energies.size(); i++) {
+    int g = data::mg.get_group_index(discrete_energies[i]);
     external_source_[source_region * negroups_ + g] +=
-      discrete_probs[e] * strength_factor;
+      discrete_probs[i] * strength_factor;
   }
 }
 
@@ -1074,27 +1026,107 @@ void FlatSourceDomain::convert_external_sources()
     }
   } // End loop over external sources
 
+// Divide the fixed source term by sigma t (to save time when applying each
+// iteration)
+#pragma omp parallel for
+  for (int sr = 0; sr < n_source_regions_; sr++) {
+    int material = material_[sr];
+    for (int g = 0; g < negroups_; g++) {
+      double sigma_t = sigma_t_[material * negroups_ + g];
+      external_source_[sr * negroups_ + g] /= sigma_t;
+    }
+  }
+}
+
+void FlatSourceDomain::flux_swap()
+{
+  scalar_flux_old_.swap(scalar_flux_new_);
+}
+
+void FlatSourceDomain::flatten_xs()
+{
   // Temperature and angle indices, if using multiple temperature
   // data sets and/or anisotropic data sets.
   // TODO: Currently assumes we are only using single temp/single angle data.
   const int t = 0;
   const int a = 0;
 
-// Divide the fixed source term by sigma t (to save time when applying each
-// iteration)
-#pragma omp parallel for
-  for (int sr = 0; sr < n_source_regions_; sr++) {
-    int material = material_[sr];
-    for (int e = 0; e < negroups_; e++) {
-      double sigma_t = data::mg.macro_xs_[material].get_xs(
-        MgxsType::TOTAL, e, nullptr, nullptr, nullptr, t, a);
-      external_source_[sr * negroups_ + e] /= sigma_t;
+  n_materials_ = data::mg.macro_xs_.size();
+  for (auto& m : data::mg.macro_xs_) {
+    for (int g_out = 0; g_out < negroups_; g_out++) {
+      if (m.exists_in_model) {
+        double sigma_t =
+          m.get_xs(MgxsType::TOTAL, g_out, NULL, NULL, NULL, t, a);
+        sigma_t_.push_back(sigma_t);
+
+        double nu_Sigma_f =
+          m.get_xs(MgxsType::NU_FISSION, g_out, NULL, NULL, NULL, t, a);
+        nu_sigma_f_.push_back(nu_Sigma_f);
+
+        double sigma_f =
+          m.get_xs(MgxsType::FISSION, g_out, NULL, NULL, NULL, t, a);
+        sigma_f_.push_back(sigma_f);
+
+        double chi =
+          m.get_xs(MgxsType::CHI_PROMPT, g_out, &g_out, NULL, NULL, t, a);
+        chi_.push_back(chi);
+
+        for (int g_in = 0; g_in < negroups_; g_in++) {
+          double sigma_s =
+            m.get_xs(MgxsType::NU_SCATTER, g_in, &g_out, NULL, NULL, t, a);
+          sigma_s_.push_back(sigma_s);
+        }
+      } else {
+        sigma_t_.push_back(0);
+        nu_sigma_f_.push_back(0);
+        sigma_f_.push_back(0);
+        chi_.push_back(0);
+        for (int g_in = 0; g_in < negroups_; g_in++) {
+          sigma_s_.push_back(0);
+        }
+      }
     }
   }
 }
-void FlatSourceDomain::flux_swap()
+
+void FlatSourceDomain::set_adjoint_sources(const vector<double>& forward_flux)
 {
-  scalar_flux_old_.swap(scalar_flux_new_);
+  // Set the external source to 1/forward_flux
+  // The forward flux is given in terms of total for the forward simulation
+  // so we must convert it to a "per batch" quantity
+#pragma omp parallel for
+  for (int64_t se = 0; se < n_source_elements_; se++) {
+    external_source_[se] = 1.0 / forward_flux[se];
+  }
+
+  // Divide the fixed source term by sigma t (to save time when applying each
+  // iteration)
+#pragma omp parallel for
+  for (int sr = 0; sr < n_source_regions_; sr++) {
+    int material = material_[sr];
+    for (int g = 0; g < negroups_; g++) {
+      double sigma_t = sigma_t_[material * negroups_ + g];
+      external_source_[sr * negroups_ + g] /= sigma_t;
+    }
+  }
+}
+
+void FlatSourceDomain::transpose_scattering_matrix()
+{
+  // Transpose the inner two dimensions for each material
+  for (int m = 0; m < n_materials_; ++m) {
+    int material_offset = m * negroups_ * negroups_;
+    for (int i = 0; i < negroups_; ++i) {
+      for (int j = i + 1; j < negroups_; ++j) {
+        // Calculate indices of the elements to swap
+        int idx1 = material_offset + i * negroups_ + j;
+        int idx2 = material_offset + j * negroups_ + i;
+
+        // Swap the elements to transpose the matrix
+        std::swap(sigma_s_[idx1], sigma_s_[idx2]);
+      }
+    }
+  }
 }
 
 } // namespace openmc
diff --git a/src/random_ray/linear_source_domain.cpp b/src/random_ray/linear_source_domain.cpp
index 5c3fa91c1..f3f6fa068 100644
--- a/src/random_ray/linear_source_domain.cpp
+++ b/src/random_ray/linear_source_domain.cpp
@@ -56,40 +56,30 @@ void LinearSourceDomain::update_neutron_source(double k_eff)
 
   double inverse_k_eff = 1.0 / k_eff;
 
-  // Temperature and angle indices, if using multiple temperature
-  // data sets and/or anisotropic data sets.
-  // TODO: Currently assumes we are only using single temp/single
-  // angle data.
-  const int t = 0;
-  const int a = 0;
-
 #pragma omp parallel for
   for (int sr = 0; sr < n_source_regions_; sr++) {
 
     int material = material_[sr];
     MomentMatrix invM = mom_matrix_[sr].inverse();
 
-    for (int e_out = 0; e_out < negroups_; e_out++) {
-      double sigma_t = data::mg.macro_xs_[material].get_xs(
-        MgxsType::TOTAL, e_out, nullptr, nullptr, nullptr, t, a);
+    for (int g_out = 0; g_out < negroups_; g_out++) {
+      double sigma_t = sigma_t_[material * negroups_ + g_out];
 
       double scatter_flat = 0.0f;
       double fission_flat = 0.0f;
       MomentArray scatter_linear = {0.0, 0.0, 0.0};
       MomentArray fission_linear = {0.0, 0.0, 0.0};
 
-      for (int e_in = 0; e_in < negroups_; e_in++) {
+      for (int g_in = 0; g_in < negroups_; g_in++) {
         // Handles for the flat and linear components of the flux
-        double flux_flat = scalar_flux_old_[sr * negroups_ + e_in];
-        MomentArray flux_linear = flux_moments_old_[sr * negroups_ + e_in];
+        double flux_flat = scalar_flux_old_[sr * negroups_ + g_in];
+        MomentArray flux_linear = flux_moments_old_[sr * negroups_ + g_in];
 
         // Handles for cross sections
-        double sigma_s = data::mg.macro_xs_[material].get_xs(
-          MgxsType::NU_SCATTER, e_in, &e_out, nullptr, nullptr, t, a);
-        double nu_sigma_f = data::mg.macro_xs_[material].get_xs(
-          MgxsType::NU_FISSION, e_in, nullptr, nullptr, nullptr, t, a);
-        double chi = data::mg.macro_xs_[material].get_xs(
-          MgxsType::CHI_PROMPT, e_in, &e_out, nullptr, nullptr, t, a);
+        double sigma_s =
+          sigma_s_[material * negroups_ * negroups_ + g_out * negroups_ + g_in];
+        double nu_sigma_f = nu_sigma_f_[material * negroups_ + g_in];
+        double chi = chi_[material * negroups_ + g_out];
 
         // Compute source terms for flat and linear components of the flux
         scatter_flat += sigma_s * flux_flat;
@@ -99,7 +89,7 @@ void LinearSourceDomain::update_neutron_source(double k_eff)
       }
 
       // Compute the flat source term
-      source_[sr * negroups_ + e_out] =
+      source_[sr * negroups_ + g_out] =
         (scatter_flat + fission_flat * inverse_k_eff) / sigma_t;
 
       // Compute the linear source terms
@@ -107,7 +97,7 @@ void LinearSourceDomain::update_neutron_source(double k_eff)
       // are not well known, we will leave the source gradients as zero
       // so as to avoid causing any numerical instability.
       if (simulation::current_batch > 10) {
-        source_gradients_[sr * negroups_ + e_out] =
+        source_gradients_[sr * negroups_ + g_out] =
           invM * ((scatter_linear + fission_linear * inverse_k_eff) / sigma_t);
       }
     }
@@ -116,7 +106,7 @@ void LinearSourceDomain::update_neutron_source(double k_eff)
   if (settings::run_mode == RunMode::FIXED_SOURCE) {
 // Add external source to flat source term if in fixed source mode
 #pragma omp parallel for
-    for (int se = 0; se < n_source_elements_; se++) {
+    for (int64_t se = 0; se < n_source_elements_; se++) {
       source_[se] += external_source_[se];
     }
   }
@@ -133,9 +123,9 @@ void LinearSourceDomain::normalize_scalar_flux_and_volumes(
 
 // Normalize flux to total distance travelled by all rays this iteration
 #pragma omp parallel for
-  for (int64_t e = 0; e < scalar_flux_new_.size(); e++) {
-    scalar_flux_new_[e] *= normalization_factor;
-    flux_moments_new_[e] *= normalization_factor;
+  for (int64_t se = 0; se < scalar_flux_new_.size(); se++) {
+    scalar_flux_new_[se] *= normalization_factor;
+    flux_moments_new_[se] *= normalization_factor;
   }
 
 // Accumulate cell-wise ray length tallies collected this iteration, then
diff --git a/src/random_ray/random_ray.cpp b/src/random_ray/random_ray.cpp
index eb64cb7d2..7a359f356 100644
--- a/src/random_ray/random_ray.cpp
+++ b/src/random_ray/random_ray.cpp
@@ -316,17 +316,9 @@ void RandomRay::attenuate_flux_flat_source(double distance, bool is_active)
   int64_t source_element = source_region * negroups_;
   int material = this->material();
 
-  // Temperature and angle indices, if using multiple temperature
-  // data sets and/or anisotropic data sets.
-  // TODO: Currently assumes we are only using single temp/single
-  // angle data.
-  const int t = 0;
-  const int a = 0;
-
   // MOC incoming flux attenuation + source contribution/attenuation equation
   for (int g = 0; g < negroups_; g++) {
-    float sigma_t = data::mg.macro_xs_[material].get_xs(
-      MgxsType::TOTAL, g, NULL, NULL, NULL, t, a);
+    float sigma_t = domain_->sigma_t_[material * negroups_ + g];
     float tau = sigma_t * distance;
     float exponential = cjosey_exponential(tau); // exponential = 1 - exp(-tau)
     float new_delta_psi =
@@ -388,13 +380,6 @@ void RandomRay::attenuate_flux_linear_source(double distance, bool is_active)
   int64_t source_element = source_region * negroups_;
   int material = this->material();
 
-  // Temperature and angle indices, if using multiple temperature
-  // data sets and/or anisotropic data sets.
-  // TODO: Currently assumes we are only using single temp/single
-  // angle data.
-  const int t = 0;
-  const int a = 0;
-
   Position& centroid = domain->centroid_[source_region];
   Position midpoint = r() + u() * (distance / 2.0);
 
@@ -422,8 +407,7 @@ void RandomRay::attenuate_flux_linear_source(double distance, bool is_active)
   for (int g = 0; g < negroups_; g++) {
 
     // Compute tau, the optical thickness of the ray segment
-    float sigma_t = data::mg.macro_xs_[material].get_xs(
-      MgxsType::TOTAL, g, NULL, NULL, NULL, t, a);
+    float sigma_t = domain_->sigma_t_[material * negroups_ + g];
     float tau = sigma_t * distance;
 
     // If tau is very small, set it to zero to avoid numerical issues.
diff --git a/src/random_ray/random_ray_simulation.cpp b/src/random_ray/random_ray_simulation.cpp
index 57959e801..a9180c68e 100644
--- a/src/random_ray/random_ray_simulation.cpp
+++ b/src/random_ray/random_ray_simulation.cpp
@@ -23,6 +23,22 @@ namespace openmc {
 
 void openmc_run_random_ray()
 {
+  //////////////////////////////////////////////////////////
+  // Run forward simulation
+  //////////////////////////////////////////////////////////
+
+  // Check if adjoint calculation is needed. If it is, we will run the forward
+  // calculation first and then the adjoint calculation later.
+  bool adjoint_needed = FlatSourceDomain::adjoint_;
+
+  // Configure the domain for forward simulation
+  FlatSourceDomain::adjoint_ = false;
+
+  // If we're going to do an adjoint simulation afterwards, report that this is
+  // the initial forward flux solve.
+  if (adjoint_needed && mpi::master)
+    header("FORWARD FLUX SOLVE", 3);
+
   // Initialize OpenMC general data structures
   openmc_simulation_init();
 
@@ -30,26 +46,93 @@ void openmc_run_random_ray()
   if (mpi::master)
     validate_random_ray_inputs();
 
-  // Initialize Random Ray Simulation Object
-  RandomRaySimulation sim;
+  // Declare forward flux so that it can be saved for later adjoint simulation
+  vector<double> forward_flux;
 
-  // Begin main simulation timer
-  simulation::time_total.start();
+  {
+    // Initialize Random Ray Simulation Object
+    RandomRaySimulation sim;
 
-  // Execute random ray simulation
-  sim.simulate();
+    // Initialize fixed sources, if present
+    sim.prepare_fixed_sources();
 
-  // End main simulation timer
-  openmc::simulation::time_total.stop();
+    // Begin main simulation timer
+    simulation::time_total.start();
 
-  // Finalize OpenMC
-  openmc_simulation_finalize();
+    // Execute random ray simulation
+    sim.simulate();
 
-  // Reduce variables across MPI ranks
-  sim.reduce_simulation_statistics();
+    // End main simulation timer
+    simulation::time_total.stop();
 
-  // Output all simulation results
-  sim.output_simulation_results();
+    // Normalize and save the final forward flux
+    forward_flux = sim.domain()->scalar_flux_final_;
+
+    double source_normalization_factor =
+      sim.domain()->compute_fixed_source_normalization_factor() /
+      (settings::n_batches - settings::n_inactive);
+
+#pragma omp parallel for
+    for (uint64_t i = 0; i < forward_flux.size(); i++) {
+      forward_flux[i] *= source_normalization_factor;
+    }
+
+    // Finalize OpenMC
+    openmc_simulation_finalize();
+
+    // Reduce variables across MPI ranks
+    sim.reduce_simulation_statistics();
+
+    // Output all simulation results
+    sim.output_simulation_results();
+  }
+
+  //////////////////////////////////////////////////////////
+  // Run adjoint simulation (if enabled)
+  //////////////////////////////////////////////////////////
+
+  if (adjoint_needed) {
+    reset_timers();
+
+    // Configure the domain for adjoint simulation
+    FlatSourceDomain::adjoint_ = true;
+
+    if (mpi::master)
+      header("ADJOINT FLUX SOLVE", 3);
+
+    // Initialize OpenMC general data structures
+    openmc_simulation_init();
+
+    // Initialize Random Ray Simulation Object
+    RandomRaySimulation adjoint_sim;
+
+    // Initialize adjoint fixed sources, if present
+    adjoint_sim.prepare_fixed_sources_adjoint(forward_flux);
+
+    // Transpose scattering matrix
+    adjoint_sim.domain()->transpose_scattering_matrix();
+
+    // Swap nu_sigma_f and chi
+    adjoint_sim.domain()->nu_sigma_f_.swap(adjoint_sim.domain()->chi_);
+
+    // Begin main simulation timer
+    simulation::time_total.start();
+
+    // Execute random ray simulation
+    adjoint_sim.simulate();
+
+    // End main simulation timer
+    simulation::time_total.stop();
+
+    // Finalize OpenMC
+    openmc_simulation_finalize();
+
+    // Reduce variables across MPI ranks
+    adjoint_sim.reduce_simulation_statistics();
+
+    // Output all simulation results
+    adjoint_sim.output_simulation_results();
+  }
 }
 
 // Enforces restrictions on inputs in random ray mode.  While there are
@@ -254,16 +337,31 @@ RandomRaySimulation::RandomRaySimulation()
   default:
     fatal_error("Unknown random ray source shape");
   }
+
+  // Convert OpenMC native MGXS into a more efficient format
+  // internal to the random ray solver
+  domain_->flatten_xs();
 }
 
-void RandomRaySimulation::simulate()
+void RandomRaySimulation::prepare_fixed_sources()
 {
   if (settings::run_mode == RunMode::FIXED_SOURCE) {
     // Transfer external source user inputs onto random ray source regions
     domain_->convert_external_sources();
     domain_->count_external_source_regions();
   }
+}
 
+void RandomRaySimulation::prepare_fixed_sources_adjoint(
+  vector<double>& forward_flux)
+{
+  if (settings::run_mode == RunMode::FIXED_SOURCE) {
+    domain_->set_adjoint_sources(forward_flux);
+  }
+}
+
+void RandomRaySimulation::simulate()
+{
   // Random ray power iteration loop
   while (simulation::current_batch < settings::n_batches) {
 
@@ -314,18 +412,20 @@ void RandomRaySimulation::simulate()
     }
 
     // Execute all tallying tasks, if this is an active batch
-    if (simulation::current_batch > settings::n_inactive && mpi::master) {
-
-      // Generate mapping between source regions and tallies
-      if (!domain_->mapped_all_tallies_) {
-        domain_->convert_source_regions_to_tallies();
-      }
-
-      // Use above mapping to contribute FSR flux data to appropriate tallies
-      domain_->random_ray_tally();
+    if (simulation::current_batch > settings::n_inactive) {
 
       // Add this iteration's scalar flux estimate to final accumulated estimate
       domain_->accumulate_iteration_flux();
+
+      if (mpi::master) {
+        // Generate mapping between source regions and tallies
+        if (!domain_->mapped_all_tallies_) {
+          domain_->convert_source_regions_to_tallies();
+        }
+
+        // Use above mapping to contribute FSR flux data to appropriate tallies
+        domain_->random_ray_tally();
+      }
     }
 
     // Set phi_old = phi_new
@@ -448,6 +548,9 @@ void RandomRaySimulation::print_results_random_ray(
     }
     fmt::print(" Volume Estimator Type             = {}\n", estimator);
 
+    std::string adjoint_true = (FlatSourceDomain::adjoint_) ? "ON" : "OFF";
+    fmt::print(" Adjoint Flux Mode                 = {}\n", adjoint_true);
+
     header("Timing Statistics", 4);
     show_time("Total time for initialization", time_initialize.elapsed());
     show_time("Reading cross sections", time_read_xs.elapsed(), 1);
diff --git a/src/settings.cpp b/src/settings.cpp
index 3a905bdf9..d52177ae8 100644
--- a/src/settings.cpp
+++ b/src/settings.cpp
@@ -301,6 +301,10 @@ void get_run_parameters(pugi::xml_node node_base)
       FlatSourceDomain::volume_normalized_flux_tallies_ =
         get_node_value_bool(random_ray_node, "volume_normalized_flux_tallies");
     }
+    if (check_for_node(random_ray_node, "adjoint")) {
+      FlatSourceDomain::adjoint_ =
+        get_node_value_bool(random_ray_node, "adjoint");
+    }
   }
 }
 
diff --git a/tests/regression_tests/random_ray_adjoint_fixed_source/__init__.py b/tests/regression_tests/random_ray_adjoint_fixed_source/__init__.py
new file mode 100644
index 000000000..e69de29bb
diff --git a/tests/regression_tests/random_ray_adjoint_fixed_source/inputs_true.dat b/tests/regression_tests/random_ray_adjoint_fixed_source/inputs_true.dat
new file mode 100644
index 000000000..686987512
--- /dev/null
+++ b/tests/regression_tests/random_ray_adjoint_fixed_source/inputs_true.dat
@@ -0,0 +1,245 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <cross_sections>mgxs.h5</cross_sections>
+    <material id="1" name="source">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="source"/>
+    </material>
+    <material id="2" name="void">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="void"/>
+    </material>
+    <material id="3" name="absorber">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="absorber"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" name="infinite source region" universe="1"/>
+    <cell id="2" material="2" name="infinite void region" universe="2"/>
+    <cell id="3" material="3" name="infinite absorber region" universe="3"/>
+    <cell fill="4" id="4" universe="5"/>
+    <cell fill="5" id="5" name="full domain" region="1 -2 3 -4 5 -6" universe="6"/>
+    <lattice id="4">
+      <pitch>2.5 2.5 2.5</pitch>
+      <dimension>12 12 12</dimension>
+      <lower_left>0.0 0.0 0.0</lower_left>
+      <universes>
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+1 1 2 2 2 2 2 2 2 2 3 3 
+1 1 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+1 1 2 2 2 2 2 2 2 2 3 3 
+1 1 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 </universes>
+    </lattice>
+    <surface boundary="reflective" coeffs="0.0" id="1" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="30.0" id="2" type="x-plane"/>
+    <surface boundary="reflective" coeffs="0.0" id="3" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="30.0" id="4" type="y-plane"/>
+    <surface boundary="reflective" coeffs="0.0" id="5" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="30.0" id="6" type="z-plane"/>
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>90</particles>
+    <batches>10</batches>
+    <inactive>5</inactive>
+    <source particle="neutron" strength="3.14" type="independent">
+      <energy type="discrete">
+        <parameters>100.0 1.0</parameters>
+      </energy>
+      <constraints>
+        <domain_type>universe</domain_type>
+        <domain_ids>1</domain_ids>
+      </constraints>
+    </source>
+    <energy_mode>multi-group</energy_mode>
+    <random_ray>
+      <distance_active>500.0</distance_active>
+      <distance_inactive>100.0</distance_inactive>
+      <source particle="neutron" strength="1.0" type="independent">
+        <space type="box">
+          <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
+        </space>
+      </source>
+      <volume_normalized_flux_tallies>True</volume_normalized_flux_tallies>
+      <adjoint>True</adjoint>
+    </random_ray>
+  </settings>
+  <tallies>
+    <filter id="3" type="material">
+      <bins>1</bins>
+    </filter>
+    <filter id="2" type="material">
+      <bins>2</bins>
+    </filter>
+    <filter id="1" type="material">
+      <bins>3</bins>
+    </filter>
+    <tally id="3" name="Source Tally">
+      <filters>3</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="2" name="Void Tally">
+      <filters>2</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="1" name="Absorber Tally">
+      <filters>1</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/random_ray_adjoint_fixed_source/results_true.dat b/tests/regression_tests/random_ray_adjoint_fixed_source/results_true.dat
new file mode 100644
index 000000000..a216fa9fc
--- /dev/null
+++ b/tests/regression_tests/random_ray_adjoint_fixed_source/results_true.dat
@@ -0,0 +1,9 @@
+tally 1:
+-7.235364E+03
+3.367109E+09
+tally 2:
+4.818311E+05
+6.269371E+10
+tally 3:
+1.515641E+06
+4.598791E+11
diff --git a/tests/regression_tests/random_ray_adjoint_fixed_source/test.py b/tests/regression_tests/random_ray_adjoint_fixed_source/test.py
new file mode 100644
index 000000000..0295e36e9
--- /dev/null
+++ b/tests/regression_tests/random_ray_adjoint_fixed_source/test.py
@@ -0,0 +1,20 @@
+import os
+
+from openmc.examples import random_ray_three_region_cube
+
+from tests.testing_harness import TolerantPyAPITestHarness
+
+
+class MGXSTestHarness(TolerantPyAPITestHarness):
+    def _cleanup(self):
+        super()._cleanup()
+        f = 'mgxs.h5'
+        if os.path.exists(f):
+            os.remove(f)
+
+
+def test_random_ray_adjoint_fixed_source():
+    model = random_ray_three_region_cube()
+    model.settings.random_ray['adjoint'] = True
+    harness = MGXSTestHarness('statepoint.10.h5', model)
+    harness.main()
diff --git a/tests/regression_tests/random_ray_adjoint_k_eff/__init__.py b/tests/regression_tests/random_ray_adjoint_k_eff/__init__.py
new file mode 100644
index 000000000..e69de29bb
diff --git a/tests/regression_tests/random_ray_adjoint_k_eff/inputs_true.dat b/tests/regression_tests/random_ray_adjoint_k_eff/inputs_true.dat
new file mode 100644
index 000000000..725702a49
--- /dev/null
+++ b/tests/regression_tests/random_ray_adjoint_k_eff/inputs_true.dat
@@ -0,0 +1,110 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <cross_sections>mgxs.h5</cross_sections>
+    <material id="1" name="UO2 fuel">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="UO2"/>
+    </material>
+    <material id="2" name="Water">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="LWTR"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" name="fuel inner a" region="-2" universe="1"/>
+    <cell id="2" material="1" name="fuel inner b" region="2 -3" universe="1"/>
+    <cell id="3" material="1" name="fuel inner c" region="3 -1" universe="1"/>
+    <cell id="4" material="2" name="moderator inner a" region="1 -4" universe="1"/>
+    <cell id="5" material="2" name="moderator outer b" region="4 -5" universe="1"/>
+    <cell id="6" material="2" name="moderator outer c" region="5" universe="1"/>
+    <cell fill="1" id="7" name="azimuthal_cell_0" region="6 -7" universe="2"/>
+    <cell fill="1" id="8" name="azimuthal_cell_1" region="7 -8" universe="2"/>
+    <cell fill="1" id="9" name="azimuthal_cell_2" region="8 -9" universe="2"/>
+    <cell fill="1" id="10" name="azimuthal_cell_3" region="9 -10" universe="2"/>
+    <cell fill="1" id="11" name="azimuthal_cell_4" region="10 -11" universe="2"/>
+    <cell fill="1" id="12" name="azimuthal_cell_5" region="11 -12" universe="2"/>
+    <cell fill="1" id="13" name="azimuthal_cell_6" region="12 -13" universe="2"/>
+    <cell fill="1" id="14" name="azimuthal_cell_7" region="13 -6" universe="2"/>
+    <cell id="15" material="2" name="moderator infinite" universe="3"/>
+    <cell fill="4" id="16" universe="5"/>
+    <cell fill="6" id="17" name="assembly" region="14 -15 16 -17" universe="7"/>
+    <lattice id="4">
+      <pitch>0.126 0.126</pitch>
+      <dimension>10 10</dimension>
+      <lower_left>-0.63 -0.63</lower_left>
+      <universes>
+3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 </universes>
+    </lattice>
+    <lattice id="6">
+      <pitch>1.26 1.26</pitch>
+      <dimension>2 2</dimension>
+      <lower_left>-1.26 -1.26</lower_left>
+      <universes>
+2 2 
+2 5 </universes>
+    </lattice>
+    <surface coeffs="0.0 0.0 0.54" id="1" name="Fuel OR" type="z-cylinder"/>
+    <surface coeffs="0.0 0.0 0.33" id="2" name="inner ring a" type="z-cylinder"/>
+    <surface coeffs="0.0 0.0 0.45" id="3" name="inner ring b" type="z-cylinder"/>
+    <surface coeffs="0.0 0.0 0.6" id="4" name="outer ring a" type="z-cylinder"/>
+    <surface coeffs="0.0 0.0 0.69" id="5" name="outer ring b" type="z-cylinder"/>
+    <surface coeffs="-0.0 1.0 0 0" id="6" type="plane"/>
+    <surface coeffs="-0.7071067811865475 0.7071067811865476 0 0" id="7" type="plane"/>
+    <surface coeffs="-1.0 6.123233995736766e-17 0 0" id="8" type="plane"/>
+    <surface coeffs="-0.7071067811865476 -0.7071067811865475 0 0" id="9" type="plane"/>
+    <surface coeffs="-1.2246467991473532e-16 -1.0 0 0" id="10" type="plane"/>
+    <surface coeffs="0.7071067811865475 -0.7071067811865477 0 0" id="11" type="plane"/>
+    <surface coeffs="1.0 -1.8369701987210297e-16 0 0" id="12" type="plane"/>
+    <surface coeffs="0.7071067811865477 0.7071067811865474 0 0" id="13" type="plane"/>
+    <surface boundary="reflective" coeffs="-1.26" id="14" name="minimum x" type="x-plane"/>
+    <surface boundary="reflective" coeffs="1.26" id="15" name="maximum x" type="x-plane"/>
+    <surface boundary="reflective" coeffs="-1.26" id="16" name="minimum y" type="y-plane"/>
+    <surface boundary="reflective" coeffs="1.26" id="17" name="maximum y" type="y-plane"/>
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>10</batches>
+    <inactive>5</inactive>
+    <energy_mode>multi-group</energy_mode>
+    <random_ray>
+      <distance_active>100.0</distance_active>
+      <distance_inactive>20.0</distance_inactive>
+      <source particle="neutron" strength="1.0" type="independent">
+        <space type="box">
+          <parameters>-1.26 -1.26 -1 1.26 1.26 1</parameters>
+        </space>
+      </source>
+      <volume_normalized_flux_tallies>True</volume_normalized_flux_tallies>
+      <adjoint>True</adjoint>
+    </random_ray>
+  </settings>
+  <tallies>
+    <mesh id="1">
+      <dimension>2 2</dimension>
+      <lower_left>-1.26 -1.26</lower_left>
+      <upper_right>1.26 1.26</upper_right>
+    </mesh>
+    <filter id="1" type="mesh">
+      <bins>1</bins>
+    </filter>
+    <filter id="2" type="energy">
+      <bins>1e-05 0.0635 10.0 100.0 1000.0 500000.0 1000000.0 20000000.0</bins>
+    </filter>
+    <tally id="1" name="Mesh tally">
+      <filters>1 2</filters>
+      <scores>flux fission nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/random_ray_adjoint_k_eff/results_true.dat b/tests/regression_tests/random_ray_adjoint_k_eff/results_true.dat
new file mode 100644
index 000000000..1690d46e9
--- /dev/null
+++ b/tests/regression_tests/random_ray_adjoint_k_eff/results_true.dat
@@ -0,0 +1,171 @@
+k-combined:
+1.006640E+00 1.812967E-03
+tally 1:
+6.684129E+00
+8.939821E+00
+2.685967E+00
+1.443592E+00
+0.000000E+00
+0.000000E+00
+6.358774E+00
+8.091444E+00
+9.687217E-01
+1.878029E-01
+0.000000E+00
+0.000000E+00
+5.963160E+00
+7.117108E+00
+1.932332E-01
+7.473914E-03
+0.000000E+00
+0.000000E+00
+5.137593E+00
+5.283310E+00
+1.714616E-01
+5.884834E-03
+1.086218E-06
+2.361752E-13
+4.857253E+00
+4.719856E+00
+5.689580E-02
+6.476286E-04
+2.989356E-03
+1.787808E-06
+4.830516E+00
+4.666801E+00
+7.203015E-03
+1.037676E-05
+3.620020E+00
+2.620927E+00
+5.161382E+00
+5.328124E+00
+6.786255E-02
+9.210763E-04
+5.531943E+00
+6.120553E+00
+5.414034E+00
+5.864661E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+5.632338E+00
+6.347626E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+5.682608E+00
+6.462382E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+5.310716E+00
+5.645180E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+4.945409E+00
+4.893171E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+4.842688E+00
+4.690352E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+5.117198E+00
+5.237280E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+6.938711E+00
+9.633345E+00
+2.835258E+00
+1.608212E+00
+0.000000E+00
+0.000000E+00
+6.549505E+00
+8.584036E+00
+1.015138E+00
+2.061993E-01
+0.000000E+00
+0.000000E+00
+6.050651E+00
+7.327711E+00
+1.992816E-01
+7.948424E-03
+0.000000E+00
+0.000000E+00
+5.113981E+00
+5.234801E+00
+1.732323E-01
+6.006619E-03
+1.097435E-06
+2.410627E-13
+4.837033E+00
+4.680541E+00
+5.760042E-02
+6.637112E-04
+3.026377E-03
+1.832205E-06
+4.827049E+00
+4.660105E+00
+7.319913E-03
+1.071647E-05
+3.678770E+00
+2.706730E+00
+5.175337E+00
+5.356957E+00
+6.923046E-02
+9.586177E-04
+5.643451E+00
+6.370016E+00
+6.693323E+00
+8.964322E+00
+2.753307E+00
+1.516683E+00
+0.000000E+00
+0.000000E+00
+6.358384E+00
+8.090233E+00
+9.912008E-01
+1.965868E-01
+0.000000E+00
+0.000000E+00
+5.957484E+00
+7.103246E+00
+1.974033E-01
+7.798286E-03
+0.000000E+00
+0.000000E+00
+5.130744E+00
+5.268844E+00
+1.749233E-01
+6.123348E-03
+1.108148E-06
+2.457474E-13
+4.857340E+00
+4.720019E+00
+5.816659E-02
+6.768049E-04
+3.056125E-03
+1.868351E-06
+4.830629E+00
+4.667018E+00
+7.366289E-03
+1.085264E-05
+3.702077E+00
+2.741125E+00
+5.164864E+00
+5.335279E+00
+6.947917E-02
+9.655086E-04
+5.663725E+00
+6.415806E+00
diff --git a/tests/regression_tests/random_ray_adjoint_k_eff/test.py b/tests/regression_tests/random_ray_adjoint_k_eff/test.py
new file mode 100644
index 000000000..44cf1182a
--- /dev/null
+++ b/tests/regression_tests/random_ray_adjoint_k_eff/test.py
@@ -0,0 +1,20 @@
+import os
+
+from openmc.examples import random_ray_lattice
+
+from tests.testing_harness import TolerantPyAPITestHarness
+
+
+class MGXSTestHarness(TolerantPyAPITestHarness):
+    def _cleanup(self):
+        super()._cleanup()
+        f = 'mgxs.h5'
+        if os.path.exists(f):
+            os.remove(f)
+
+
+def test_random_ray_basic():
+    model = random_ray_lattice()
+    model.settings.random_ray['adjoint'] = True
+    harness = MGXSTestHarness('statepoint.10.h5', model)
+    harness.main()

From ae37d6c0da33b6941f726e506db78736fd1d51d1 Mon Sep 17 00:00:00 2001
From: Zoe Prieto <101403129+zoeprieto@users.noreply.github.com>
Date: Fri, 22 Nov 2024 12:16:49 -0300
Subject: [PATCH 2190/2654] Statistical weights in IndependentSource (#3195)

Co-authored-by: Paul Wilson <paul.wilson@wisc.edu>
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 docs/source/usersguide/settings.rst           | 20 ++++++
 include/openmc/settings.h                     | 47 +++++++-------
 openmc/settings.py                            | 25 ++++++++
 src/finalize.cpp                              |  1 +
 src/settings.cpp                              |  7 +++
 src/source.cpp                                | 21 +++++--
 src/tallies/tally.cpp                         |  3 +-
 .../test_uniform_source_sampling.py           | 63 +++++++++++++++++++
 8 files changed, 157 insertions(+), 30 deletions(-)
 create mode 100644 tests/unit_tests/test_uniform_source_sampling.py

diff --git a/docs/source/usersguide/settings.rst b/docs/source/usersguide/settings.rst
index 349aa34d0..ca11d6487 100644
--- a/docs/source/usersguide/settings.rst
+++ b/docs/source/usersguide/settings.rst
@@ -183,6 +183,7 @@ source distributions and has four main attributes that one can set:
 :attr:`IndependentSource.energy`, which defines the energy distribution, and
 :attr:`IndependentSource.time`, which defines the time distribution.
 
+
 The spatial distribution can be set equal to a sub-class of
 :class:`openmc.stats.Spatial`; common choices are :class:`openmc.stats.Point` or
 :class:`openmc.stats.Box`. To independently specify distributions in the
@@ -225,6 +226,7 @@ distribution. This could be a probability mass function
 (:class:`openmc.stats.Tabular`). By default, if no time distribution is
 specified, particles are started at :math:`t=0`.
 
+
 As an example, to create an isotropic, 10 MeV monoenergetic source uniformly
 distributed over a cube centered at the origin with an edge length of 10 cm, and
 emitting a pulse of particles from 0 to 10 µs, one
@@ -252,6 +254,24 @@ sampled 70% of the time and another that should be sampled 30% of the time::
 
   settings.source = [src1, src2]
 
+When the relative strengths are several orders of magnitude different, it may
+happen that not enough statistics are obtained from the lower strength source.
+This can be improved by sampling among the sources with equal probability,
+applying the source strength as a weight on the sampled source particles. The
+:attr:`Settings.uniform_source_sampling` attribute can be used to enable this
+option::
+
+  src1 = openmc.IndependentSource()
+  src1.strength = 100.0
+  ...
+
+  src2 = openmc.IndependentSource()
+  src2.strength = 1.0
+  ...
+
+  settings.source = [src1, src2]
+  settings.uniform_source_sampling = True
+
 Finally, the :attr:`IndependentSource.particle` attribute can be used to
 indicate the source should be composed of particles other than neutrons. For
 example, the following would generate a photon source::
diff --git a/include/openmc/settings.h b/include/openmc/settings.h
index 1e44c0880..9a4ce56ec 100644
--- a/include/openmc/settings.h
+++ b/include/openmc/settings.h
@@ -44,29 +44,30 @@ extern "C" bool entropy_on; //!< calculate Shannon entropy?
 extern "C" bool
   event_based; //!< use event-based mode (instead of history-based)
 extern bool legendre_to_tabular; //!< convert Legendre distributions to tabular?
-extern bool material_cell_offsets; //!< create material cells offsets?
-extern "C" bool output_summary;    //!< write summary.h5?
-extern bool output_tallies;        //!< write tallies.out?
-extern bool particle_restart_run;  //!< particle restart run?
-extern "C" bool photon_transport;  //!< photon transport turned on?
-extern "C" bool reduce_tallies;    //!< reduce tallies at end of batch?
-extern bool res_scat_on;           //!< use resonance upscattering method?
-extern "C" bool restart_run;       //!< restart run?
-extern "C" bool run_CE;            //!< run with continuous-energy data?
-extern bool source_latest;         //!< write latest source at each batch?
-extern bool source_separate;       //!< write source to separate file?
-extern bool source_write;          //!< write source in HDF5 files?
-extern bool source_mcpl_write;     //!< write source in mcpl files?
-extern bool surf_source_write;     //!< write surface source file?
-extern bool surf_mcpl_write;       //!< write surface mcpl file?
-extern bool surf_source_read;      //!< read surface source file?
-extern bool survival_biasing;      //!< use survival biasing?
-extern bool temperature_multipole; //!< use multipole data?
-extern "C" bool trigger_on;        //!< tally triggers enabled?
-extern bool trigger_predict;       //!< predict batches for triggers?
-extern bool ufs_on;                //!< uniform fission site method on?
-extern bool urr_ptables_on;        //!< use unresolved resonance prob. tables?
-extern "C" bool weight_windows_on; //!< are weight windows are enabled?
+extern bool material_cell_offsets;   //!< create material cells offsets?
+extern "C" bool output_summary;      //!< write summary.h5?
+extern bool output_tallies;          //!< write tallies.out?
+extern bool particle_restart_run;    //!< particle restart run?
+extern "C" bool photon_transport;    //!< photon transport turned on?
+extern "C" bool reduce_tallies;      //!< reduce tallies at end of batch?
+extern bool res_scat_on;             //!< use resonance upscattering method?
+extern "C" bool restart_run;         //!< restart run?
+extern "C" bool run_CE;              //!< run with continuous-energy data?
+extern bool source_latest;           //!< write latest source at each batch?
+extern bool source_separate;         //!< write source to separate file?
+extern bool source_write;            //!< write source in HDF5 files?
+extern bool source_mcpl_write;       //!< write source in mcpl files?
+extern bool surf_source_write;       //!< write surface source file?
+extern bool surf_mcpl_write;         //!< write surface mcpl file?
+extern bool surf_source_read;        //!< read surface source file?
+extern bool survival_biasing;        //!< use survival biasing?
+extern bool temperature_multipole;   //!< use multipole data?
+extern "C" bool trigger_on;          //!< tally triggers enabled?
+extern bool trigger_predict;         //!< predict batches for triggers?
+extern bool uniform_source_sampling; //!< sample sources uniformly?
+extern bool ufs_on;                  //!< uniform fission site method on?
+extern bool urr_ptables_on;          //!< use unresolved resonance prob. tables?
+extern "C" bool weight_windows_on;   //!< are weight windows are enabled?
 extern bool weight_window_checkpoint_surface;   //!< enable weight window check
                                                 //!< upon surface crossing?
 extern bool weight_window_checkpoint_collision; //!< enable weight window check
diff --git a/openmc/settings.py b/openmc/settings.py
index a350de72e..77598b204 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -266,6 +266,9 @@ class Settings:
         Maximum number of batches simulated. If this is set, the number of
         batches specified via ``batches`` is interpreted as the minimum number
         of batches
+    uniform_source_sampling : bool
+        Whether to sampling among multiple sources uniformly, applying their
+        strengths as weights to sampled particles.
     ufs_mesh : openmc.RegularMesh
         Mesh to be used for redistributing source sites via the uniform fission
         site (UFS) method.
@@ -328,6 +331,7 @@ class Settings:
         self._photon_transport = None
         self._plot_seed = None
         self._ptables = None
+        self._uniform_source_sampling = None
         self._seed = None
         self._survival_biasing = None
 
@@ -575,6 +579,15 @@ class Settings:
         cv.check_type('photon transport', photon_transport, bool)
         self._photon_transport = photon_transport
 
+    @property
+    def uniform_source_sampling(self) -> bool:
+        return self._uniform_source_sampling
+
+    @uniform_source_sampling.setter
+    def uniform_source_sampling(self, uniform_source_sampling: bool):
+        cv.check_type('strength as weights', uniform_source_sampling, bool)
+        self._uniform_source_sampling = uniform_source_sampling
+
     @property
     def plot_seed(self):
         return self._plot_seed
@@ -1221,6 +1234,11 @@ class Settings:
                 subelement.text = ' '.join(
                     str(x) for x in self._statepoint['batches'])
 
+    def _create_uniform_source_sampling_subelement(self, root):
+        if self._uniform_source_sampling is not None:
+            element = ET.SubElement(root, "uniform_source_sampling")
+            element.text = str(self._uniform_source_sampling).lower()
+
     def _create_sourcepoint_subelement(self, root):
         if self._sourcepoint:
             element = ET.SubElement(root, "source_point")
@@ -1702,6 +1720,11 @@ class Settings:
         if text is not None:
             self.photon_transport = text in ('true', '1')
 
+    def _uniform_source_sampling_from_xml_element(self, root):
+        text = get_text(root, 'uniform_source_sampling')
+        if text is not None:
+            self.uniform_source_sampling = text in ('true', '1')
+
     def _plot_seed_from_xml_element(self, root):
         text = get_text(root, 'plot_seed')
         if text is not None:
@@ -1957,6 +1980,7 @@ class Settings:
         self._create_energy_mode_subelement(element)
         self._create_max_order_subelement(element)
         self._create_photon_transport_subelement(element)
+        self._create_uniform_source_sampling_subelement(element)
         self._create_plot_seed_subelement(element)
         self._create_ptables_subelement(element)
         self._create_seed_subelement(element)
@@ -2063,6 +2087,7 @@ class Settings:
         settings._energy_mode_from_xml_element(elem)
         settings._max_order_from_xml_element(elem)
         settings._photon_transport_from_xml_element(elem)
+        settings._uniform_source_sampling_from_xml_element(elem)
         settings._plot_seed_from_xml_element(elem)
         settings._ptables_from_xml_element(elem)
         settings._seed_from_xml_element(elem)
diff --git a/src/finalize.cpp b/src/finalize.cpp
index 08c2fced3..981ec5cba 100644
--- a/src/finalize.cpp
+++ b/src/finalize.cpp
@@ -133,6 +133,7 @@ int openmc_finalize()
   settings::trigger_on = false;
   settings::trigger_predict = false;
   settings::trigger_batch_interval = 1;
+  settings::uniform_source_sampling = false;
   settings::ufs_on = false;
   settings::urr_ptables_on = true;
   settings::verbosity = 7;
diff --git a/src/settings.cpp b/src/settings.cpp
index d52177ae8..5e11949bb 100644
--- a/src/settings.cpp
+++ b/src/settings.cpp
@@ -72,6 +72,7 @@ bool survival_biasing {false};
 bool temperature_multipole {false};
 bool trigger_on {false};
 bool trigger_predict {false};
+bool uniform_source_sampling {false};
 bool ufs_on {false};
 bool urr_ptables_on {true};
 bool weight_windows_on {false};
@@ -786,6 +787,12 @@ void read_settings_xml(pugi::xml_node root)
     sourcepoint_batch = statepoint_batch;
   }
 
+  // Check is the user specified to convert strength to statistical weight
+  if (check_for_node(root, "uniform_source_sampling")) {
+    uniform_source_sampling =
+      get_node_value_bool(root, "uniform_source_sampling");
+  }
+
   // Check if the user has specified to write surface source
   if (check_for_node(root, "surf_source_write")) {
     surf_source_write = true;
diff --git a/src/source.cpp b/src/source.cpp
index 15fe8433b..9d3cae6cf 100644
--- a/src/source.cpp
+++ b/src/source.cpp
@@ -616,18 +616,27 @@ SourceSite sample_external_source(uint64_t* seed)
   // Sample from among multiple source distributions
   int i = 0;
   if (model::external_sources.size() > 1) {
-    double xi = prn(seed) * total_strength;
-    double c = 0.0;
-    for (; i < model::external_sources.size(); ++i) {
-      c += model::external_sources[i]->strength();
-      if (xi < c)
-        break;
+    if (settings::uniform_source_sampling) {
+      i = prn(seed) * model::external_sources.size();
+    } else {
+      double xi = prn(seed) * total_strength;
+      double c = 0.0;
+      for (; i < model::external_sources.size(); ++i) {
+        c += model::external_sources[i]->strength();
+        if (xi < c)
+          break;
+      }
     }
   }
 
   // Sample source site from i-th source distribution
   SourceSite site {model::external_sources[i]->sample_with_constraints(seed)};
 
+  // Set particle creation weight
+  if (settings::uniform_source_sampling) {
+    site.wgt *= model::external_sources[i]->strength();
+  }
+
   // If running in MG, convert site.E to group
   if (!settings::run_CE) {
     site.E = lower_bound_index(data::mg.rev_energy_bins_.begin(),
diff --git a/src/tallies/tally.cpp b/src/tallies/tally.cpp
index ba899611c..4f33abf6b 100644
--- a/src/tallies/tally.cpp
+++ b/src/tallies/tally.cpp
@@ -751,7 +751,8 @@ void Tally::accumulate()
   if (mpi::master || !settings::reduce_tallies) {
     // Calculate total source strength for normalization
     double total_source = 0.0;
-    if (settings::run_mode == RunMode::FIXED_SOURCE) {
+    if (settings::run_mode == RunMode::FIXED_SOURCE &&
+        !settings::uniform_source_sampling) {
       for (const auto& s : model::external_sources) {
         total_source += s->strength();
       }
diff --git a/tests/unit_tests/test_uniform_source_sampling.py b/tests/unit_tests/test_uniform_source_sampling.py
new file mode 100644
index 000000000..ece8afe89
--- /dev/null
+++ b/tests/unit_tests/test_uniform_source_sampling.py
@@ -0,0 +1,63 @@
+import openmc
+import pytest
+
+
+@pytest.fixture
+def sphere_model():
+    mat = openmc.Material()
+    mat.add_nuclide('Li6', 1.0)
+    mat.set_density('g/cm3', 1.0)
+    sphere = openmc.Sphere(r=1.0, boundary_type='vacuum')
+    cell = openmc.Cell(region=-sphere, fill=mat)
+    model = openmc.Model()
+    model.geometry = openmc.Geometry([cell])
+
+    model.settings.particles = 100
+    model.settings.batches = 1
+    model.settings.source = openmc.IndependentSource(
+        energy=openmc.stats.delta_function(1.0e3),
+        strength=100.0
+    )
+    model.settings.run_mode = "fixed source"
+    model.settings.surf_source_write = {
+        "max_particles": 100,
+    }
+
+    tally = openmc.Tally()
+    tally.scores = ['flux']
+    model.tallies = [tally]
+    return model
+
+
+def test_source_weight(run_in_tmpdir, sphere_model):
+    # Run OpenMC without uniform source sampling and check that banked particles
+    # have weight 1
+    sphere_model.settings.uniform_source_sampling = False
+    sphere_model.run()
+    particles = openmc.ParticleList.from_hdf5('surface_source.h5')
+    assert set(p.wgt for p in particles) == {1.0}
+
+    # Run with uniform source sampling and check that banked particles have
+    # weight == strength
+    sphere_model.settings.uniform_source_sampling = True
+    sphere_model.run()
+    particles = openmc.ParticleList.from_hdf5('surface_source.h5')
+    strength = sphere_model.settings.source[0].strength
+    assert set(p.wgt for p in particles) == {strength}
+
+
+def test_tally_mean(run_in_tmpdir, sphere_model):
+    # Run without uniform source sampling
+    sphere_model.settings.uniform_source_sampling = False
+    sp_file = sphere_model.run()
+    with openmc.StatePoint(sp_file) as sp:
+        reference_mean = sp.tallies[sphere_model.tallies[0].id].mean
+
+    # Run with uniform source sampling
+    sphere_model.settings.uniform_source_sampling = True
+    sp_file = sphere_model.run()
+    with openmc.StatePoint(sp_file) as sp:
+        mean = sp.tallies[sphere_model.tallies[0].id].mean
+
+    # Check that tally means match
+    assert mean == pytest.approx(reference_mean)

From dd01c40ae1f320dc74a5ec2674b92b09b9d03361 Mon Sep 17 00:00:00 2001
From: Kevin Sawatzky <66632997+nuclearkevin@users.noreply.github.com>
Date: Sat, 23 Nov 2024 08:09:47 -0600
Subject: [PATCH 2191/2654] Enable adaptive mesh support on libMesh tallies
 (#3185)

Co-authored-by: Patrick Shriwise <pshriwise@gmail.com>
---
 include/openmc/mesh.h | 11 +++++-
 src/mesh.cpp          | 86 ++++++++++++++++++++++++++++++++++++-------
 2 files changed, 82 insertions(+), 15 deletions(-)

diff --git a/include/openmc/mesh.h b/include/openmc/mesh.h
index f0ad57247..5edb03003 100644
--- a/include/openmc/mesh.h
+++ b/include/openmc/mesh.h
@@ -948,6 +948,7 @@ public:
 private:
   void initialize() override;
   void set_mesh_pointer_from_filename(const std::string& filename);
+  void build_eqn_sys();
 
   // Methods
 
@@ -966,7 +967,8 @@ private:
   vector<unique_ptr<libMesh::PointLocatorBase>>
     pl_; //!< per-thread point locators
   unique_ptr<libMesh::EquationSystems>
-    equation_systems_; //!< pointer to the equation systems of the mesh
+    equation_systems_; //!< pointer to the libMesh EquationSystems
+                       //!< instance
   std::string
     eq_system_name_; //!< name of the equation system holding OpenMC results
   std::unordered_map<std::string, unsigned int>
@@ -975,6 +977,13 @@ private:
   libMesh::BoundingBox bbox_; //!< bounding box of the mesh
   libMesh::dof_id_type
     first_element_id_; //!< id of the first element in the mesh
+
+  const bool adaptive_; //!< whether this mesh has adaptivity enabled or not
+  std::vector<libMesh::dof_id_type>
+    bin_to_elem_map_; //!< mapping bin indices to dof indices for active
+                      //!< elements
+  std::vector<int> elem_to_bin_map_; //!< mapping dof indices to bin indices for
+                                     //!< active elements
 };
 
 #endif
diff --git a/src/mesh.cpp b/src/mesh.cpp
index b90fead03..0b051e63f 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -2922,7 +2922,7 @@ void MOABMesh::write(const std::string& base_filename) const
 
 const std::string LibMesh::mesh_lib_type = "libmesh";
 
-LibMesh::LibMesh(pugi::xml_node node) : UnstructuredMesh(node)
+LibMesh::LibMesh(pugi::xml_node node) : UnstructuredMesh(node), adaptive_(false)
 {
   // filename_ and length_multiplier_ will already be set by the
   // UnstructuredMesh constructor
@@ -2933,6 +2933,7 @@ LibMesh::LibMesh(pugi::xml_node node) : UnstructuredMesh(node)
 
 // create the mesh from a pointer to a libMesh Mesh
 LibMesh::LibMesh(libMesh::MeshBase& input_mesh, double length_multiplier)
+  : adaptive_(input_mesh.n_active_elem() != input_mesh.n_elem())
 {
   m_ = &input_mesh;
   set_length_multiplier(length_multiplier);
@@ -2941,6 +2942,7 @@ LibMesh::LibMesh(libMesh::MeshBase& input_mesh, double length_multiplier)
 
 // create the mesh from an input file
 LibMesh::LibMesh(const std::string& filename, double length_multiplier)
+  : adaptive_(false)
 {
   set_mesh_pointer_from_filename(filename);
   set_length_multiplier(length_multiplier);
@@ -2955,6 +2957,15 @@ void LibMesh::set_mesh_pointer_from_filename(const std::string& filename)
   m_->read(filename_);
 }
 
+// build a libMesh equation system for storing values
+void LibMesh::build_eqn_sys()
+{
+  eq_system_name_ = fmt::format("mesh_{}_system", id_);
+  equation_systems_ = make_unique<libMesh::EquationSystems>(*m_);
+  libMesh::ExplicitSystem& eq_sys =
+    equation_systems_->add_system<libMesh::ExplicitSystem>(eq_system_name_);
+}
+
 // intialize from mesh file
 void LibMesh::initialize()
 {
@@ -2982,13 +2993,6 @@ void LibMesh::initialize()
       filename_));
   }
 
-  // create an equation system for storing values
-  eq_system_name_ = fmt::format("mesh_{}_system", id_);
-
-  equation_systems_ = make_unique<libMesh::EquationSystems>(*m_);
-  libMesh::ExplicitSystem& eq_sys =
-    equation_systems_->add_system<libMesh::ExplicitSystem>(eq_system_name_);
-
   for (int i = 0; i < num_threads(); i++) {
     pl_.emplace_back(m_->sub_point_locator());
     pl_.back()->set_contains_point_tol(FP_COINCIDENT);
@@ -2999,6 +3003,21 @@ void LibMesh::initialize()
   auto first_elem = *m_->elements_begin();
   first_element_id_ = first_elem->id();
 
+  // if the mesh is adaptive elements aren't guaranteed by libMesh to be
+  // contiguous in ID space, so we need to map from bin indices (defined over
+  // active elements) to global dof ids
+  if (adaptive_) {
+    bin_to_elem_map_.reserve(m_->n_active_local_elem());
+    elem_to_bin_map_.resize(m_->n_local_elem(), -1);
+    for (auto it = m_->active_local_elements_begin();
+         it != m_->active_local_elements_end(); it++) {
+      auto elem = *it;
+
+      bin_to_elem_map_.push_back(elem->id());
+      elem_to_bin_map_[elem->id()] = bin_to_elem_map_.size() - 1;
+    }
+  }
+
   // bounding box for the mesh for quick rejection checks
   bbox_ = libMesh::MeshTools::create_bounding_box(*m_);
   libMesh::Point ll = bbox_.min();
@@ -3056,7 +3075,7 @@ std::string LibMesh::library() const
 
 int LibMesh::n_bins() const
 {
-  return m_->n_elem();
+  return m_->n_active_elem();
 }
 
 int LibMesh::n_surface_bins() const
@@ -3079,6 +3098,18 @@ int LibMesh::n_surface_bins() const
 
 void LibMesh::add_score(const std::string& var_name)
 {
+  if (adaptive_) {
+    warning(fmt::format(
+      "Exodus output cannot be provided as unstructured mesh {} is adaptive.",
+      this->id_));
+
+    return;
+  }
+
+  if (!equation_systems_) {
+    build_eqn_sys();
+  }
+
   // check if this is a new variable
   std::string value_name = var_name + "_mean";
   if (!variable_map_.count(value_name)) {
@@ -3100,14 +3131,28 @@ void LibMesh::add_score(const std::string& var_name)
 
 void LibMesh::remove_scores()
 {
-  auto& eqn_sys = equation_systems_->get_system(eq_system_name_);
-  eqn_sys.clear();
-  variable_map_.clear();
+  if (equation_systems_) {
+    auto& eqn_sys = equation_systems_->get_system(eq_system_name_);
+    eqn_sys.clear();
+    variable_map_.clear();
+  }
 }
 
 void LibMesh::set_score_data(const std::string& var_name,
   const vector<double>& values, const vector<double>& std_dev)
 {
+  if (adaptive_) {
+    warning(fmt::format(
+      "Exodus output cannot be provided as unstructured mesh {} is adaptive.",
+      this->id_));
+
+    return;
+  }
+
+  if (!equation_systems_) {
+    build_eqn_sys();
+  }
+
   auto& eqn_sys = equation_systems_->get_system(eq_system_name_);
 
   if (!eqn_sys.is_initialized()) {
@@ -3125,6 +3170,10 @@ void LibMesh::set_score_data(const std::string& var_name,
 
   for (auto it = m_->local_elements_begin(); it != m_->local_elements_end();
        it++) {
+    if (!(*it)->active()) {
+      continue;
+    }
+
     auto bin = get_bin_from_element(*it);
 
     // set value
@@ -3143,6 +3192,14 @@ void LibMesh::set_score_data(const std::string& var_name,
 
 void LibMesh::write(const std::string& filename) const
 {
+  if (adaptive_) {
+    warning(fmt::format(
+      "Exodus output cannot be provided as unstructured mesh {} is adaptive.",
+      this->id_));
+
+    return;
+  }
+
   write_message(fmt::format(
     "Writing file: {}.e for unstructured mesh {}", filename, this->id_));
   libMesh::ExodusII_IO exo(*m_);
@@ -3176,7 +3233,8 @@ int LibMesh::get_bin(Position r) const
 
 int LibMesh::get_bin_from_element(const libMesh::Elem* elem) const
 {
-  int bin = elem->id() - first_element_id_;
+  int bin =
+    adaptive_ ? elem_to_bin_map_[elem->id()] : elem->id() - first_element_id_;
   if (bin >= n_bins() || bin < 0) {
     fatal_error(fmt::format("Invalid bin: {}", bin));
   }
@@ -3191,7 +3249,7 @@ std::pair<vector<double>, vector<double>> LibMesh::plot(
 
 const libMesh::Elem& LibMesh::get_element_from_bin(int bin) const
 {
-  return m_->elem_ref(bin);
+  return adaptive_ ? m_->elem_ref(bin_to_elem_map_.at(bin)) : m_->elem_ref(bin);
 }
 
 double LibMesh::volume(int bin) const

From 2d988a69a10dec9e2964782d20a08927574d763a Mon Sep 17 00:00:00 2001
From: Ebny Walid Ahammed <69362074+magnoxemo@users.noreply.github.com>
Date: Sat, 23 Nov 2024 13:10:39 -0600
Subject: [PATCH 2192/2654] External sources alias sampler (#3201)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 include/openmc/source.h                        |  3 +++
 openmc/model/model.py                          |  4 ++--
 src/settings.cpp                               |  7 +++++++
 src/source.cpp                                 | 18 +++++-------------
 tests/regression_tests/source/results_true.dat |  2 +-
 .../unit_tests/test_uniform_source_sampling.py | 12 ++++++++++++
 6 files changed, 30 insertions(+), 16 deletions(-)

diff --git a/include/openmc/source.h b/include/openmc/source.h
index 5cc0356e3..6733eaeff 100644
--- a/include/openmc/source.h
+++ b/include/openmc/source.h
@@ -36,6 +36,9 @@ namespace model {
 
 extern vector<unique_ptr<Source>> external_sources;
 
+// Probability distribution for selecting external sources
+extern DiscreteIndex external_sources_probability;
+
 } // namespace model
 
 //==============================================================================
diff --git a/openmc/model/model.py b/openmc/model/model.py
index ffad8f503..49cb0a83e 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -885,7 +885,7 @@ class Model:
             n_samples: int = 1000,
             prn_seed: int | None = None,
             **init_kwargs
-    ) -> list[openmc.SourceParticle]:
+    ) -> openmc.ParticleList:
         """Sample external source and return source particles.
 
         .. versionadded:: 0.15.1
@@ -902,7 +902,7 @@ class Model:
 
         Returns
         -------
-        list of openmc.SourceParticle
+        openmc.ParticleList
             List of samples source particles
         """
         import openmc.lib
diff --git a/src/settings.cpp b/src/settings.cpp
index 5e11949bb..61eda7996 100644
--- a/src/settings.cpp
+++ b/src/settings.cpp
@@ -563,6 +563,13 @@ void read_settings_xml(pugi::xml_node root)
     model::external_sources.push_back(make_unique<FileSource>(path));
   }
 
+  // Build probability mass function for sampling external sources
+  vector<double> source_strengths;
+  for (auto& s : model::external_sources) {
+    source_strengths.push_back(s->strength());
+  }
+  model::external_sources_probability.assign(source_strengths);
+
   // If no source specified, default to isotropic point source at origin with
   // Watt spectrum. No default source is needed in random ray mode.
   if (model::external_sources.empty() &&
diff --git a/src/source.cpp b/src/source.cpp
index 9d3cae6cf..2116809f2 100644
--- a/src/source.cpp
+++ b/src/source.cpp
@@ -44,7 +44,10 @@ namespace openmc {
 namespace model {
 
 vector<unique_ptr<Source>> external_sources;
-}
+
+DiscreteIndex external_sources_probability;
+
+} // namespace model
 
 //==============================================================================
 // Source implementation
@@ -608,24 +611,13 @@ void initialize_source()
 
 SourceSite sample_external_source(uint64_t* seed)
 {
-  // Determine total source strength
-  double total_strength = 0.0;
-  for (auto& s : model::external_sources)
-    total_strength += s->strength();
-
   // Sample from among multiple source distributions
   int i = 0;
   if (model::external_sources.size() > 1) {
     if (settings::uniform_source_sampling) {
       i = prn(seed) * model::external_sources.size();
     } else {
-      double xi = prn(seed) * total_strength;
-      double c = 0.0;
-      for (; i < model::external_sources.size(); ++i) {
-        c += model::external_sources[i]->strength();
-        if (xi < c)
-          break;
-      }
+      i = model::external_sources_probability.sample(seed);
     }
   }
 
diff --git a/tests/regression_tests/source/results_true.dat b/tests/regression_tests/source/results_true.dat
index 94d9ced15..673d27c8a 100644
--- a/tests/regression_tests/source/results_true.dat
+++ b/tests/regression_tests/source/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-3.054101E-01 1.167865E-03
+2.959436E-01 2.782384E-03
diff --git a/tests/unit_tests/test_uniform_source_sampling.py b/tests/unit_tests/test_uniform_source_sampling.py
index ece8afe89..7f805e37d 100644
--- a/tests/unit_tests/test_uniform_source_sampling.py
+++ b/tests/unit_tests/test_uniform_source_sampling.py
@@ -61,3 +61,15 @@ def test_tally_mean(run_in_tmpdir, sphere_model):
 
     # Check that tally means match
     assert mean == pytest.approx(reference_mean)
+
+
+def test_multiple_sources(sphere_model):
+    low_strength_src = openmc.IndependentSource(
+        energy=openmc.stats.delta_function(1.0e6), strength=1e-7)
+    sphere_model.settings.source.append(low_strength_src)
+    sphere_model.settings.uniform_source_sampling = True
+
+    # Sample particles from source and make sure 1 MeV shows up despite
+    # negligible strength
+    particles = sphere_model.sample_external_source(100)
+    assert {p.E for p in particles} == {1.0e3, 1.0e6}

From a9fe2a05c114796ceb7a640e9d68c823dfa4da16 Mon Sep 17 00:00:00 2001
From: Kevin Sawatzky <66632997+nuclearkevin@users.noreply.github.com>
Date: Tue, 26 Nov 2024 21:23:29 -0600
Subject: [PATCH 2193/2654] Fix bin index to DoF ID mapping bug in adaptive
 libMesh meshes (#3206)

---
 src/mesh.cpp | 8 ++++----
 1 file changed, 4 insertions(+), 4 deletions(-)

diff --git a/src/mesh.cpp b/src/mesh.cpp
index 0b051e63f..ca6440210 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -3007,10 +3007,10 @@ void LibMesh::initialize()
   // contiguous in ID space, so we need to map from bin indices (defined over
   // active elements) to global dof ids
   if (adaptive_) {
-    bin_to_elem_map_.reserve(m_->n_active_local_elem());
-    elem_to_bin_map_.resize(m_->n_local_elem(), -1);
-    for (auto it = m_->active_local_elements_begin();
-         it != m_->active_local_elements_end(); it++) {
+    bin_to_elem_map_.reserve(m_->n_active_elem());
+    elem_to_bin_map_.resize(m_->n_elem(), -1);
+    for (auto it = m_->active_elements_begin(); it != m_->active_elements_end();
+         it++) {
       auto elem = *it;
 
       bin_to_elem_map_.push_back(elem->id());

From a940216d3a10800fc7d63f305cb481196c86e3fb Mon Sep 17 00:00:00 2001
From: Kevin Sawatzky <66632997+nuclearkevin@users.noreply.github.com>
Date: Mon, 2 Dec 2024 22:41:41 -0600
Subject: [PATCH 2194/2654] Ensure libMesh::ReplicatedMesh is used for LibMesh
 tallies (#3208)

---
 src/mesh.cpp | 8 +++++++-
 1 file changed, 7 insertions(+), 1 deletion(-)

diff --git a/src/mesh.cpp b/src/mesh.cpp
index ca6440210..c572d255a 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -2935,6 +2935,11 @@ LibMesh::LibMesh(pugi::xml_node node) : UnstructuredMesh(node), adaptive_(false)
 LibMesh::LibMesh(libMesh::MeshBase& input_mesh, double length_multiplier)
   : adaptive_(input_mesh.n_active_elem() != input_mesh.n_elem())
 {
+  if (!dynamic_cast<libMesh::ReplicatedMesh*>(&input_mesh)) {
+    fatal_error("At present LibMesh tallies require a replicated mesh. Please "
+                "ensure 'input_mesh' is a libMesh::ReplicatedMesh.");
+  }
+
   m_ = &input_mesh;
   set_length_multiplier(length_multiplier);
   initialize();
@@ -2952,7 +2957,8 @@ LibMesh::LibMesh(const std::string& filename, double length_multiplier)
 void LibMesh::set_mesh_pointer_from_filename(const std::string& filename)
 {
   filename_ = filename;
-  unique_m_ = make_unique<libMesh::Mesh>(*settings::libmesh_comm, n_dimension_);
+  unique_m_ =
+    make_unique<libMesh::ReplicatedMesh>(*settings::libmesh_comm, n_dimension_);
   m_ = unique_m_.get();
   m_->read(filename_);
 }

From de8132a5a431660f5ff515cc7894ea0f283d3bec Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Tue, 3 Dec 2024 08:22:46 +0100
Subject: [PATCH 2195/2654] adding unstrucutred mesh file suffix to docstring
 (#3211)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/mesh.py | 4 +++-
 1 file changed, 3 insertions(+), 1 deletion(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 6afe5d36e..ef5c6c784 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -2072,7 +2072,9 @@ class UnstructuredMesh(MeshBase):
     Parameters
     ----------
     filename : path-like
-        Location of the unstructured mesh file
+        Location of the unstructured mesh file. Supported files for 'moab'
+        library are .h5 and .vtk. Supported files for 'libmesh' library are
+        exodus mesh files .exo.
     library : {'moab', 'libmesh'}
         Mesh library used for the unstructured mesh tally
     mesh_id : int

From 775c41512283d178a49c787dc5fdfe617bac4938 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Mon, 16 Dec 2024 08:40:02 -0600
Subject: [PATCH 2196/2654] Write and read mesh name attribute (#3221)

---
 docs/source/io_formats/statepoint.rst         |  5 +-
 docs/source/io_formats/tallies.rst            |  7 +-
 include/openmc/mesh.h                         | 20 ++--
 openmc/mesh.py                                | 92 ++++++++++---------
 src/mesh.cpp                                  | 55 +++++------
 .../tally_slice_merge/inputs_true.dat         |  2 +-
 .../tally_slice_merge/test.py                 |  3 +
 tests/unit_tests/test_mesh.py                 | 21 +++++
 8 files changed, 126 insertions(+), 79 deletions(-)

diff --git a/docs/source/io_formats/statepoint.rst b/docs/source/io_formats/statepoint.rst
index f61e967ca..82d20a763 100644
--- a/docs/source/io_formats/statepoint.rst
+++ b/docs/source/io_formats/statepoint.rst
@@ -72,7 +72,10 @@ The current version of the statepoint file format is 18.1.
 
 **/tallies/meshes/mesh <uid>/**
 
-:Datasets: - **type** (*char[]*) -- Type of mesh.
+:Attributes: - **id** (*int*) -- ID of the mesh
+             - **type** (*char[]*) -- Type of mesh.
+
+:Datasets: - **name** (*char[]*) -- Name of the mesh.
            - **dimension** (*int*) -- Number of mesh cells in each dimension.
            - **Regular Mesh Only:**
               - **lower_left** (*double[]*) -- Coordinates of lower-left corner of
diff --git a/docs/source/io_formats/tallies.rst b/docs/source/io_formats/tallies.rst
index 78101ab66..9f29a949a 100644
--- a/docs/source/io_formats/tallies.rst
+++ b/docs/source/io_formats/tallies.rst
@@ -109,7 +109,7 @@ The ``<tally>`` element accepts the following sub-elements:
                prematurely if there are no hits in any bins at the first
                evalulation. It is the user's responsibility to specify enough
                particles per batch to get a nonzero score in at least one bin.
-     
+
      *Default*: False
 
    :scores:
@@ -329,6 +329,11 @@ If a mesh is desired as a filter for a tally, it must be specified in a separate
 element with the tag name ``<mesh>``. This element has the following
 attributes/sub-elements:
 
+  :name:
+    An optional string name to identify the mesh in output files.
+
+    *Default*: ""
+
   :type:
     The type of mesh. This can be either "regular", "rectilinear",
     "cylindrical", "spherical", or "unstructured".
diff --git a/include/openmc/mesh.h b/include/openmc/mesh.h
index 5edb03003..bd86d54fb 100644
--- a/include/openmc/mesh.h
+++ b/include/openmc/mesh.h
@@ -132,13 +132,18 @@ public:
 
   int32_t id() const { return id_; }
 
+  const std::string& name() const { return name_; }
+
   //! Set the mesh ID
   void set_id(int32_t id = -1);
 
+  //! Write the mesh data to an HDF5 group
+  void to_hdf5(hid_t group) const;
+
   //! Write mesh data to an HDF5 group
   //
   //! \param[in] group HDF5 group
-  virtual void to_hdf5(hid_t group) const = 0;
+  virtual void to_hdf5_inner(hid_t group) const = 0;
 
   //! Find the mesh lines that intersect an axis-aligned slice plot
   //
@@ -202,7 +207,8 @@ public:
   // Data members
   xt::xtensor<double, 1> lower_left_;  //!< Lower-left coordinates of mesh
   xt::xtensor<double, 1> upper_right_; //!< Upper-right coordinates of mesh
-  int id_ {-1};                        //!< User-specified ID
+  int id_ {-1};                        //!< Mesh ID
+  std::string name_;                   //!< User-specified name
   int n_dimension_ {-1};               //!< Number of dimensions
 };
 
@@ -410,7 +416,7 @@ public:
   std::pair<vector<double>, vector<double>> plot(
     Position plot_ll, Position plot_ur) const override;
 
-  void to_hdf5(hid_t group) const override;
+  void to_hdf5_inner(hid_t group) const override;
 
   //! Get the coordinate for the mesh grid boundary in the positive direction
   //!
@@ -460,7 +466,7 @@ public:
   std::pair<vector<double>, vector<double>> plot(
     Position plot_ll, Position plot_ur) const override;
 
-  void to_hdf5(hid_t group) const override;
+  void to_hdf5_inner(hid_t group) const override;
 
   //! Get the coordinate for the mesh grid boundary in the positive direction
   //!
@@ -506,7 +512,7 @@ public:
   std::pair<vector<double>, vector<double>> plot(
     Position plot_ll, Position plot_ur) const override;
 
-  void to_hdf5(hid_t group) const override;
+  void to_hdf5_inner(hid_t group) const override;
 
   double volume(const MeshIndex& ijk) const override;
 
@@ -570,7 +576,7 @@ public:
   std::pair<vector<double>, vector<double>> plot(
     Position plot_ll, Position plot_ur) const override;
 
-  void to_hdf5(hid_t group) const override;
+  void to_hdf5_inner(hid_t group) const override;
 
   double r(int i) const { return grid_[0][i]; }
   double theta(int i) const { return grid_[1][i]; }
@@ -632,7 +638,7 @@ public:
   void surface_bins_crossed(Position r0, Position r1, const Direction& u,
     vector<int>& bins) const override;
 
-  void to_hdf5(hid_t group) const override;
+  void to_hdf5_inner(hid_t group) const override;
 
   std::string bin_label(int bin) const override;
 
diff --git a/openmc/mesh.py b/openmc/mesh.py
index ef5c6c784..0b6f6b84e 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -99,21 +99,40 @@ class MeshBase(IDManagerMixin, ABC):
             Instance of a MeshBase subclass
 
         """
+        mesh_type = 'regular' if 'type' not in group.attrs else group.attrs['type'].decode()
+        mesh_id = int(group.name.split('/')[-1].lstrip('mesh '))
+        mesh_name = '' if not 'name' in group else group['name'][()].decode()
 
-        mesh_type = group['type'][()].decode()
         if mesh_type == 'regular':
-            return RegularMesh.from_hdf5(group)
+            return RegularMesh.from_hdf5(group, mesh_id, mesh_name)
         elif mesh_type == 'rectilinear':
-            return RectilinearMesh.from_hdf5(group)
+            return RectilinearMesh.from_hdf5(group, mesh_id, mesh_name)
         elif mesh_type == 'cylindrical':
-            return CylindricalMesh.from_hdf5(group)
+            return CylindricalMesh.from_hdf5(group, mesh_id, mesh_name)
         elif mesh_type == 'spherical':
-            return SphericalMesh.from_hdf5(group)
+            return SphericalMesh.from_hdf5(group, mesh_id, mesh_name)
         elif mesh_type == 'unstructured':
-            return UnstructuredMesh.from_hdf5(group)
+            return UnstructuredMesh.from_hdf5(group, mesh_id, mesh_name)
         else:
             raise ValueError('Unrecognized mesh type: "' + mesh_type + '"')
 
+    def to_xml_element(self):
+        """Return XML representation of the mesh
+
+        Returns
+        -------
+        element : lxml.etree._Element
+            XML element containing mesh data
+
+        """
+        elem = ET.Element("mesh")
+
+        elem.set("id", str(self._id))
+        if self.name:
+            elem.set("name", self.name)
+
+        return elem
+
     @classmethod
     def from_xml_element(cls, elem: ET.Element):
         """Generates a mesh from an XML element
@@ -132,18 +151,21 @@ class MeshBase(IDManagerMixin, ABC):
         mesh_type = get_text(elem, 'type')
 
         if mesh_type == 'regular' or mesh_type is None:
-            return RegularMesh.from_xml_element(elem)
+            mesh = RegularMesh.from_xml_element(elem)
         elif mesh_type == 'rectilinear':
-            return RectilinearMesh.from_xml_element(elem)
+            mesh = RectilinearMesh.from_xml_element(elem)
         elif mesh_type == 'cylindrical':
-            return CylindricalMesh.from_xml_element(elem)
+            mesh = CylindricalMesh.from_xml_element(elem)
         elif mesh_type == 'spherical':
-            return SphericalMesh.from_xml_element(elem)
+            mesh = SphericalMesh.from_xml_element(elem)
         elif mesh_type == 'unstructured':
-            return UnstructuredMesh.from_xml_element(elem)
+            mesh = UnstructuredMesh.from_xml_element(elem)
         else:
             raise ValueError(f'Unrecognized mesh type "{mesh_type}" found.')
 
+        mesh.name = get_text(elem, 'name', default='')
+        return mesh
+
     def get_homogenized_materials(
             self,
             model: openmc.Model,
@@ -791,11 +813,9 @@ class RegularMesh(StructuredMesh):
         return string
 
     @classmethod
-    def from_hdf5(cls, group: h5py.Group):
-        mesh_id = int(group.name.split('/')[-1].lstrip('mesh '))
-
+    def from_hdf5(cls, group: h5py.Group, mesh_id: int, name: str):
         # Read and assign mesh properties
-        mesh = cls(mesh_id)
+        mesh = cls(mesh_id=mesh_id, name=name)
         mesh.dimension = group['dimension'][()]
         mesh.lower_left = group['lower_left'][()]
         if 'width' in group:
@@ -899,9 +919,7 @@ class RegularMesh(StructuredMesh):
             XML element containing mesh data
 
         """
-
-        element = ET.Element("mesh")
-        element.set("id", str(self._id))
+        element = super().to_xml_element()
 
         if self._dimension is not None:
             subelement = ET.SubElement(element, "dimension")
@@ -937,10 +955,6 @@ class RegularMesh(StructuredMesh):
         mesh_id = int(get_text(elem, 'id'))
         mesh = cls(mesh_id=mesh_id)
 
-        mesh_type = get_text(elem, 'type')
-        if mesh_type is not None:
-            mesh.type = mesh_type
-
         dimension = get_text(elem, 'dimension')
         if dimension is not None:
             mesh.dimension = [int(x) for x in dimension.split()]
@@ -1235,11 +1249,9 @@ class RectilinearMesh(StructuredMesh):
         return string
 
     @classmethod
-    def from_hdf5(cls, group: h5py.Group):
-        mesh_id = int(group.name.split('/')[-1].lstrip('mesh '))
-
+    def from_hdf5(cls, group: h5py.Group, mesh_id: int, name: str):
         # Read and assign mesh properties
-        mesh = cls(mesh_id=mesh_id)
+        mesh = cls(mesh_id=mesh_id, name=name)
         mesh.x_grid = group['x_grid'][()]
         mesh.y_grid = group['y_grid'][()]
         mesh.z_grid = group['z_grid'][()]
@@ -1279,8 +1291,7 @@ class RectilinearMesh(StructuredMesh):
 
         """
 
-        element = ET.Element("mesh")
-        element.set("id", str(self._id))
+        element = super().to_xml_element()
         element.set("type", "rectilinear")
 
         subelement = ET.SubElement(element, "x_grid")
@@ -1541,12 +1552,11 @@ class CylindricalMesh(StructuredMesh):
         return (r_index, phi_index, z_index)
 
     @classmethod
-    def from_hdf5(cls, group: h5py.Group):
-        mesh_id = int(group.name.split('/')[-1].lstrip('mesh '))
-
+    def from_hdf5(cls, group: h5py.Group, mesh_id: int, name: str):
         # Read and assign mesh properties
         mesh = cls(
             mesh_id=mesh_id,
+            name=name,
             r_grid = group['r_grid'][()],
             phi_grid = group['phi_grid'][()],
             z_grid = group['z_grid'][()],
@@ -1647,8 +1657,7 @@ class CylindricalMesh(StructuredMesh):
 
         """
 
-        element = ET.Element("mesh")
-        element.set("id", str(self._id))
+        element = super().to_xml_element()
         element.set("type", "cylindrical")
 
         subelement = ET.SubElement(element, "r_grid")
@@ -1926,15 +1935,14 @@ class SphericalMesh(StructuredMesh):
         return string
 
     @classmethod
-    def from_hdf5(cls, group: h5py.Group):
-        mesh_id = int(group.name.split('/')[-1].lstrip('mesh '))
-
+    def from_hdf5(cls, group: h5py.Group, mesh_id: int, name: str):
         # Read and assign mesh properties
         mesh = cls(
             r_grid = group['r_grid'][()],
             theta_grid = group['theta_grid'][()],
             phi_grid = group['phi_grid'][()],
             mesh_id=mesh_id,
+            name=name
         )
         if 'origin' in group:
             mesh.origin = group['origin'][()]
@@ -1951,8 +1959,7 @@ class SphericalMesh(StructuredMesh):
 
         """
 
-        element = ET.Element("mesh")
-        element.set("id", str(self._id))
+        element = super().to_xml_element()
         element.set("type", "spherical")
 
         subelement = ET.SubElement(element, "r_grid")
@@ -2444,8 +2451,7 @@ class UnstructuredMesh(MeshBase):
         writer.Write()
 
     @classmethod
-    def from_hdf5(cls, group: h5py.Group):
-        mesh_id = int(group.name.split('/')[-1].lstrip('mesh '))
+    def from_hdf5(cls, group: h5py.Group, mesh_id: int, name: str):
         filename = group['filename'][()].decode()
         library = group['library'][()].decode()
         if 'options' in group.attrs:
@@ -2453,7 +2459,7 @@ class UnstructuredMesh(MeshBase):
         else:
             options = None
 
-        mesh = cls(filename=filename, library=library, mesh_id=mesh_id, options=options)
+        mesh = cls(filename=filename, library=library, mesh_id=mesh_id, name=name, options=options)
         mesh._has_statepoint_data = True
         vol_data = group['volumes'][()]
         mesh.volumes = np.reshape(vol_data, (vol_data.shape[0],))
@@ -2480,9 +2486,9 @@ class UnstructuredMesh(MeshBase):
 
         """
 
-        element = ET.Element("mesh")
-        element.set("id", str(self._id))
+        element = super().to_xml_element()
         element.set("type", "unstructured")
+
         element.set("library", self._library)
         if self.options is not None:
             element.set('options', self.options)
diff --git a/src/mesh.cpp b/src/mesh.cpp
index c572d255a..2ee616f28 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -109,6 +109,8 @@ Mesh::Mesh(pugi::xml_node node)
 {
   // Read mesh id
   id_ = std::stoi(get_node_value(node, "id"));
+  if (check_for_node(node, "name"))
+    name_ = get_node_value(node, "name");
 }
 
 void Mesh::set_id(int32_t id)
@@ -236,6 +238,28 @@ vector<Mesh::MaterialVolume> Mesh::material_volumes(
   return result;
 }
 
+void Mesh::to_hdf5(hid_t group) const
+{
+  // Create group for mesh
+  std::string group_name = fmt::format("mesh {}", id_);
+  hid_t mesh_group = create_group(group, group_name.c_str());
+
+  // Write mesh type
+  write_attribute(mesh_group, "type", this->get_mesh_type());
+
+  // Write mesh ID
+  write_attribute(mesh_group, "id", id_);
+
+  // Write mesh name
+  write_dataset(mesh_group, "name", name_);
+
+  // Write mesh data
+  this->to_hdf5_inner(mesh_group);
+
+  // Close group
+  close_group(mesh_group);
+}
+
 //==============================================================================
 // Structured Mesh implementation
 //==============================================================================
@@ -389,11 +413,8 @@ std::string UnstructuredMesh::bin_label(int bin) const
   return fmt::format("Mesh Index ({})", bin);
 };
 
-void UnstructuredMesh::to_hdf5(hid_t group) const
+void UnstructuredMesh::to_hdf5_inner(hid_t mesh_group) const
 {
-  hid_t mesh_group = create_group(group, fmt::format("mesh {}", id_));
-
-  write_dataset(mesh_group, "type", mesh_type);
   write_dataset(mesh_group, "filename", filename_);
   write_dataset(mesh_group, "library", this->library());
   if (!options_.empty()) {
@@ -453,8 +474,6 @@ void UnstructuredMesh::to_hdf5(hid_t group) const
   write_dataset(mesh_group, "volumes", volumes);
   write_dataset(mesh_group, "connectivity", connectivity);
   write_dataset(mesh_group, "element_types", elem_types);
-
-  close_group(mesh_group);
 }
 
 void UnstructuredMesh::set_length_multiplier(double length_multiplier)
@@ -948,17 +967,13 @@ std::pair<vector<double>, vector<double>> RegularMesh::plot(
   return {axis_lines[0], axis_lines[1]};
 }
 
-void RegularMesh::to_hdf5(hid_t group) const
+void RegularMesh::to_hdf5_inner(hid_t mesh_group) const
 {
-  hid_t mesh_group = create_group(group, "mesh " + std::to_string(id_));
-
   write_dataset(mesh_group, "type", "regular");
   write_dataset(mesh_group, "dimension", get_x_shape());
   write_dataset(mesh_group, "lower_left", lower_left_);
   write_dataset(mesh_group, "upper_right", upper_right_);
   write_dataset(mesh_group, "width", width_);
-
-  close_group(mesh_group);
 }
 
 xt::xtensor<double, 1> RegularMesh::count_sites(
@@ -1138,16 +1153,12 @@ std::pair<vector<double>, vector<double>> RectilinearMesh::plot(
   return {axis_lines[0], axis_lines[1]};
 }
 
-void RectilinearMesh::to_hdf5(hid_t group) const
+void RectilinearMesh::to_hdf5_inner(hid_t mesh_group) const
 {
-  hid_t mesh_group = create_group(group, "mesh " + std::to_string(id_));
-
   write_dataset(mesh_group, "type", "rectilinear");
   write_dataset(mesh_group, "x_grid", grid_[0]);
   write_dataset(mesh_group, "y_grid", grid_[1]);
   write_dataset(mesh_group, "z_grid", grid_[2]);
-
-  close_group(mesh_group);
 }
 
 double RectilinearMesh::volume(const MeshIndex& ijk) const
@@ -1417,17 +1428,13 @@ std::pair<vector<double>, vector<double>> CylindricalMesh::plot(
   return {axis_lines[0], axis_lines[1]};
 }
 
-void CylindricalMesh::to_hdf5(hid_t group) const
+void CylindricalMesh::to_hdf5_inner(hid_t mesh_group) const
 {
-  hid_t mesh_group = create_group(group, "mesh " + std::to_string(id_));
-
   write_dataset(mesh_group, "type", "cylindrical");
   write_dataset(mesh_group, "r_grid", grid_[0]);
   write_dataset(mesh_group, "phi_grid", grid_[1]);
   write_dataset(mesh_group, "z_grid", grid_[2]);
   write_dataset(mesh_group, "origin", origin_);
-
-  close_group(mesh_group);
 }
 
 double CylindricalMesh::volume(const MeshIndex& ijk) const
@@ -1733,17 +1740,13 @@ std::pair<vector<double>, vector<double>> SphericalMesh::plot(
   return {axis_lines[0], axis_lines[1]};
 }
 
-void SphericalMesh::to_hdf5(hid_t group) const
+void SphericalMesh::to_hdf5_inner(hid_t mesh_group) const
 {
-  hid_t mesh_group = create_group(group, "mesh " + std::to_string(id_));
-
   write_dataset(mesh_group, "type", SphericalMesh::mesh_type);
   write_dataset(mesh_group, "r_grid", grid_[0]);
   write_dataset(mesh_group, "theta_grid", grid_[1]);
   write_dataset(mesh_group, "phi_grid", grid_[2]);
   write_dataset(mesh_group, "origin", origin_);
-
-  close_group(mesh_group);
 }
 
 double SphericalMesh::volume(const MeshIndex& ijk) const
diff --git a/tests/regression_tests/tally_slice_merge/inputs_true.dat b/tests/regression_tests/tally_slice_merge/inputs_true.dat
index 356962f8e..7159d833a 100644
--- a/tests/regression_tests/tally_slice_merge/inputs_true.dat
+++ b/tests/regression_tests/tally_slice_merge/inputs_true.dat
@@ -308,7 +308,7 @@
   </settings>
   <tallies>
     <!--mesh-->
-    <mesh id="1">
+    <mesh id="1" name="mesh">
       <dimension>2 2</dimension>
       <lower_left>-50.0 -50.0</lower_left>
       <upper_right>50.0 50.0</upper_right>
diff --git a/tests/regression_tests/tally_slice_merge/test.py b/tests/regression_tests/tally_slice_merge/test.py
index 090e31448..aec73979b 100644
--- a/tests/regression_tests/tally_slice_merge/test.py
+++ b/tests/regression_tests/tally_slice_merge/test.py
@@ -149,6 +149,9 @@ class TallySliceMergeTestHarness(PyAPITestHarness):
         sum2 = mesh_tally.summation(filter_type=openmc.MeshFilter,
                                     filter_bins=[(2, 1), (2, 2)])
 
+        mesh = mesh_tally.find_filter(openmc.MeshFilter).mesh
+        assert mesh.name == 'mesh'
+
         # Merge the mesh tally slices
         merge_tally = sum1.merge(sum2)
 
diff --git a/tests/unit_tests/test_mesh.py b/tests/unit_tests/test_mesh.py
index ed08be816..27322165f 100644
--- a/tests/unit_tests/test_mesh.py
+++ b/tests/unit_tests/test_mesh.py
@@ -357,6 +357,27 @@ def test_CylindricalMesh_get_indices_at_coords():
     assert mesh.get_indices_at_coords([102, 199.1, 299]) == (0, 3, 0)  # forth angle quadrant
 
 
+def test_mesh_name_roundtrip(run_in_tmpdir):
+
+    mesh = openmc.RegularMesh()
+    mesh.name = 'regular-mesh'
+    mesh.lower_left = (-1, -1, -1)
+    mesh.width = (1, 1, 1)
+    mesh.dimension = (1, 1, 1)
+
+    mesh_filter = openmc.MeshFilter(mesh)
+    tally = openmc.Tally()
+    tally.filters = [mesh_filter]
+    tally.scores = ['flux']
+
+    openmc.Tallies([tally]).export_to_xml()
+
+    xml_tallies = openmc.Tallies.from_xml()
+
+    mesh = xml_tallies[0].find_filter(openmc.MeshFilter).mesh
+    assert mesh.name == 'regular-mesh'
+
+
 def test_umesh_roundtrip(run_in_tmpdir, request):
     umesh = openmc.UnstructuredMesh(request.path.parent / 'test_mesh_tets.e', 'moab')
     umesh.output = True

From 3a001d3de2130da08d33f995f54b248ff2edcaad Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Mon, 6 Jan 2025 13:40:13 +0100
Subject: [PATCH 2197/2654] updated link to log mapping technique (#3241)

---
 docs/source/methods/cross_sections.rst | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/docs/source/methods/cross_sections.rst b/docs/source/methods/cross_sections.rst
index 2cafa8691..21a1ef8df 100644
--- a/docs/source/methods/cross_sections.rst
+++ b/docs/source/methods/cross_sections.rst
@@ -290,7 +290,7 @@ scattering information in the water while the fuel can be simulated with linear
 or even isotropic scattering.
 
 .. _logarithmic mapping technique:
-   https://laws.lanl.gov/vhosts/mcnp.lanl.gov/pdf_files/la-ur-14-24530.pdf
+   https://mcnp.lanl.gov/pdf_files/TechReport_2014_LANL_LA-UR-14-24530_Brown.pdf
 .. _Hwang: https://doi.org/10.13182/NSE87-A16381
 .. _Josey: https://doi.org/10.1016/j.jcp.2015.08.013
 .. _WMP Library: https://github.com/mit-crpg/WMP_Library

From 393334829db331f1b95d36d0da32a9ae786590ab Mon Sep 17 00:00:00 2001
From: Masoud <m1459n@gmail.com>
Date: Tue, 7 Jan 2025 10:02:05 +0330
Subject: [PATCH 2198/2654] Adding '#define _USE_MATH_DEFINES' to make M_PI
 declared in Intel and MSVC compilers (#3238)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 src/external/quartic_solver.cpp | 1 +
 src/mesh.cpp                    | 7 ++++---
 src/plot.cpp                    | 2 ++
 3 files changed, 7 insertions(+), 3 deletions(-)

diff --git a/src/external/quartic_solver.cpp b/src/external/quartic_solver.cpp
index 0b280e83c..915020ffa 100644
--- a/src/external/quartic_solver.cpp
+++ b/src/external/quartic_solver.cpp
@@ -1,4 +1,5 @@
 #include <algorithm>
+#define _USE_MATH_DEFINES // to make M_PI declared in Intel and MSVC compilers
 #include <cmath>
 #include <complex>
 #include <cstdlib>
diff --git a/src/mesh.cpp b/src/mesh.cpp
index 2ee616f28..4b1878c5a 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -1,7 +1,8 @@
 #include "openmc/mesh.h"
-#include <algorithm> // for copy, equal, min, min_element
-#include <cmath>     // for ceil
-#include <cstddef>   // for size_t
+#include <algorithm>      // for copy, equal, min, min_element
+#define _USE_MATH_DEFINES // to make M_PI declared in Intel and MSVC compilers
+#include <cmath>          // for ceil
+#include <cstddef>        // for size_t
 #include <gsl/gsl-lite.hpp>
 #include <string>
 
diff --git a/src/plot.cpp b/src/plot.cpp
index 348138570..de7d475e1 100644
--- a/src/plot.cpp
+++ b/src/plot.cpp
@@ -1,6 +1,8 @@
 #include "openmc/plot.h"
 
 #include <algorithm>
+#define _USE_MATH_DEFINES // to make M_PI declared in Intel and MSVC compilers
+#include <cmath>
 #include <cstdio>
 #include <fstream>
 #include <sstream>

From 5ad1a4aa1e67ed6a4b88ebe84af0f1b117d14cd5 Mon Sep 17 00:00:00 2001
From: Baptiste Mouginot <15145274+bam241@users.noreply.github.com>
Date: Tue, 7 Jan 2025 22:50:02 +0100
Subject: [PATCH 2199/2654] Differentiate materials in DAGMC universes  (#3056)

Co-authored-by: Baptiste Mouginot <bam.git.not.reply@gmail.com>
Co-authored-by: Patrick Shriwise <pshriwise@gmail.com>
Co-authored-by: azimG <azimgivron@yahoo.com>
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 docs/source/io_formats/geometry.rst  |  34 +-
 docs/source/pythonapi/capi.rst       |   1 +
 include/openmc/capi.h                |   3 +
 include/openmc/cell.h                |   8 +-
 include/openmc/dagmc.h               |  15 +
 include/openmc/surface.h             |   8 +-
 openmc/__init__.py                   |   1 +
 openmc/dagmc.py                      | 625 ++++++++++++++++++++
 openmc/geometry.py                   |   2 +-
 openmc/lib/__init__.py               |   1 +
 openmc/lib/dagmc.py                  |  43 ++
 openmc/model/model.py                | 119 +++-
 openmc/universe.py                   | 837 ++++++++-------------------
 src/cell.cpp                         |   4 +-
 src/dagmc.cpp                        | 102 +++-
 src/particle.cpp                     |   7 +-
 src/plot.cpp                         |   2 +-
 src/surface.cpp                      |   8 +-
 tests/unit_tests/dagmc/test_model.py | 256 ++++++++
 19 files changed, 1424 insertions(+), 652 deletions(-)
 create mode 100644 openmc/dagmc.py
 create mode 100644 openmc/lib/dagmc.py
 create mode 100644 tests/unit_tests/dagmc/test_model.py

diff --git a/docs/source/io_formats/geometry.rst b/docs/source/io_formats/geometry.rst
index ac48e48d2..6d0a37a24 100644
--- a/docs/source/io_formats/geometry.rst
+++ b/docs/source/io_formats/geometry.rst
@@ -407,13 +407,33 @@ Each ``<dagmc_universe>`` element can have the following attributes or sub-eleme
 
     *Default*: None
 
+  :material_overrides:
+    This element contains information on material overrides to be applied to the
+    DAGMC universe. It has the following attributes and sub-elements:
 
-  .. note:: A geometry.xml file containing only a DAGMC model for a file named `dagmc.h5m` (no CSG)
-            looks as follows
+    :cell:
+      Material override information for a single cell. It contains the following
+      attributes and sub-elements:
 
-            .. code-block:: xml
+      :id:
+        The cell ID in the DAGMC geometry for which the material override will
+        apply.
 
-              <?xml version='1.0' encoding='utf-8'?>
-              <geometry>
-                <dagmc_universe filename="dagmc.h5m" id="1" />
-              </geometry>
+      :materials:
+        A list of material IDs that will apply to instances of the cell. If the
+        list contains only one ID, it will replace the original material
+        assignment of all instances of the DAGMC cell. If the list contains more
+        than one material, each material ID of the list will be assigned to the
+        various instances of the DAGMC cell.
+
+    *Default*: None
+
+.. note:: A geometry.xml file containing only a DAGMC model for a file named
+          `dagmc.h5m` (no CSG) looks as follows:
+
+    .. code-block:: xml
+
+        <?xml version='1.0' encoding='utf-8'?>
+        <geometry>
+          <dagmc_universe filename="dagmc.h5m" id="1" />
+        </geometry>
diff --git a/docs/source/pythonapi/capi.rst b/docs/source/pythonapi/capi.rst
index 995ad97fa..9ceff83fd 100644
--- a/docs/source/pythonapi/capi.rst
+++ b/docs/source/pythonapi/capi.rst
@@ -19,6 +19,7 @@ Functions
    finalize
    find_cell
    find_material
+   dagmc_universe_cell_ids
    global_bounding_box
    global_tallies
    hard_reset
diff --git a/include/openmc/capi.h b/include/openmc/capi.h
index 9401156a6..8edd99c07 100644
--- a/include/openmc/capi.h
+++ b/include/openmc/capi.h
@@ -29,6 +29,9 @@ int openmc_cell_set_temperature(
   int32_t index, double T, const int32_t* instance, bool set_contained = false);
 int openmc_cell_set_translation(int32_t index, const double xyz[]);
 int openmc_cell_set_rotation(int32_t index, const double rot[], size_t rot_len);
+int openmc_dagmc_universe_get_cell_ids(
+  int32_t univ_id, int32_t* ids, size_t* n);
+int openmc_dagmc_universe_get_num_cells(int32_t univ_id, size_t* n);
 int openmc_energy_filter_get_bins(
   int32_t index, const double** energies, size_t* n);
 int openmc_energy_filter_set_bins(
diff --git a/include/openmc/cell.h b/include/openmc/cell.h
index 70843140b..032475ce9 100644
--- a/include/openmc/cell.h
+++ b/include/openmc/cell.h
@@ -320,7 +320,6 @@ public:
   int32_t universe_;        //!< Universe # this cell is in
   int32_t fill_;            //!< Universe # filling this cell
   int32_t n_instances_ {0}; //!< Number of instances of this cell
-  GeometryType geom_type_;  //!< Geometric representation type (CSG, DAGMC)
 
   //! \brief Index corresponding to this cell in distribcell arrays
   int distribcell_index_ {C_NONE};
@@ -350,6 +349,13 @@ public:
   vector<double> rotation_;
 
   vector<int32_t> offset_; //!< Distribcell offset table
+
+  // Accessors
+  const GeometryType& geom_type() const { return geom_type_; }
+  GeometryType& geom_type() { return geom_type_; }
+
+private:
+  GeometryType geom_type_; //!< Geometric representation type (CSG, DAGMC)
 };
 
 struct CellInstanceItem {
diff --git a/include/openmc/dagmc.h b/include/openmc/dagmc.h
index 2facf4fc0..47fcfe237 100644
--- a/include/openmc/dagmc.h
+++ b/include/openmc/dagmc.h
@@ -29,6 +29,12 @@ void check_dagmc_root_univ();
 #include "openmc/particle.h"
 #include "openmc/position.h"
 #include "openmc/surface.h"
+#include "openmc/vector.h"
+
+#include <memory> // for shared_ptr, unique_ptr
+#include <string>
+#include <unordered_map>
+#include <utility> // for pair
 
 class UWUW;
 
@@ -133,6 +139,10 @@ public:
   void legacy_assign_material(
     std::string mat_string, std::unique_ptr<DAGCell>& c) const;
 
+  //! Assign a material overriding normal assignement to a cell
+  //! \param[in] c The OpenMC cell to which the material is assigned
+  void override_assign_material(std::unique_ptr<DAGCell>& c) const;
+
   //! Return the index into the model cells vector for a given DAGMC volume
   //! handle in the universe
   //! \param[in] vol MOAB handle to the DAGMC volume set
@@ -184,6 +194,11 @@ private:
                              //!< generate new material IDs for the universe
   bool has_graveyard_; //!< Indicates if the DAGMC geometry has a "graveyard"
                        //!< volume
+  std::unordered_map<int32_t, vector<int32_t>>
+    material_overrides_; //!< Map of material overrides
+                         //!< keys correspond to the DAGMCCell id
+                         //!< values are a list of material ids used
+                         //!< for the override
 };
 
 //==============================================================================
diff --git a/include/openmc/surface.h b/include/openmc/surface.h
index af235301c..498f71d4f 100644
--- a/include/openmc/surface.h
+++ b/include/openmc/surface.h
@@ -38,7 +38,6 @@ public:
   int id_;                           //!< Unique ID
   std::string name_;                 //!< User-defined name
   unique_ptr<BoundaryCondition> bc_; //!< Boundary condition
-  GeometryType geom_type_;           //!< Geometry type indicator (CSG or DAGMC)
   bool surf_source_ {false}; //!< Activate source banking for the surface?
 
   explicit Surface(pugi::xml_node surf_node);
@@ -91,6 +90,13 @@ public:
   //! Get the BoundingBox for this surface.
   virtual BoundingBox bounding_box(bool /*pos_side*/) const { return {}; }
 
+  // Accessors
+  const GeometryType& geom_type() const { return geom_type_; }
+  GeometryType& geom_type() { return geom_type_; }
+
+private:
+  GeometryType geom_type_; //!< Geometry type indicator (CSG or DAGMC)
+
 protected:
   virtual void to_hdf5_inner(hid_t group_id) const = 0;
 };
diff --git a/openmc/__init__.py b/openmc/__init__.py
index 566d28706..bb972b4e6 100644
--- a/openmc/__init__.py
+++ b/openmc/__init__.py
@@ -15,6 +15,7 @@ from openmc.volume import *
 from openmc.weight_windows import *
 from openmc.surface import *
 from openmc.universe import *
+from openmc.dagmc import *
 from openmc.source import *
 from openmc.settings import *
 from openmc.lattice import *
diff --git a/openmc/dagmc.py b/openmc/dagmc.py
new file mode 100644
index 000000000..8ab0aaf69
--- /dev/null
+++ b/openmc/dagmc.py
@@ -0,0 +1,625 @@
+from collections.abc import Iterable, Mapping
+from numbers import Integral
+
+import h5py
+import lxml.etree as ET
+import numpy as np
+import warnings
+
+import openmc
+import openmc.checkvalue as cv
+from ._xml import get_text
+from .checkvalue import check_type, check_value
+from .surface import _BOUNDARY_TYPES
+from .bounding_box import BoundingBox
+from .utility_funcs import input_path
+
+
+class DAGMCUniverse(openmc.UniverseBase):
+    """A reference to a DAGMC file to be used in the model.
+
+    .. versionadded:: 0.13.0
+
+    Parameters
+    ----------
+    filename : str
+        Path to the DAGMC file used to represent this universe.
+    universe_id : int, optional
+        Unique identifier of the universe. If not specified, an identifier will
+        automatically be assigned.
+    name : str, optional
+        Name of the universe. If not specified, the name is the empty string.
+    auto_geom_ids : bool
+        Set IDs automatically on initialization (True) or report overlaps in ID
+        space between CSG and DAGMC (False)
+    auto_mat_ids : bool
+        Set IDs automatically on initialization (True)  or report overlaps in ID
+        space between OpenMC and UWUW materials (False)
+    material_overrides : dict, optional
+        A dictionary of material overrides. The keys are material name strings
+        and the values are Iterables of openmc.Material objects. If a material
+        name is found in the DAGMC file, the material will be replaced with the
+        openmc.Material object in the value.
+
+    Attributes
+    ----------
+    id : int
+        Unique identifier of the universe
+    name : str
+        Name of the universe
+    filename : str
+        Path to the DAGMC file used to represent this universe.
+    auto_geom_ids : bool
+        Set IDs automatically on initialization (True) or report overlaps in ID
+        space between CSG and DAGMC (False)
+    auto_mat_ids : bool
+        Set IDs automatically on initialization (True)  or report overlaps in ID
+        space between OpenMC and UWUW materials (False)
+    bounding_box : openmc.BoundingBox
+        Lower-left and upper-right coordinates of an axis-aligned bounding box
+        of the universe.
+
+        .. versionadded:: 0.13.1
+    material_names : list of str
+        Return a sorted list of materials names that are contained within the
+        DAGMC h5m file. This is useful when naming openmc.Material() objects as
+        each material name present in the DAGMC h5m file must have a matching
+        openmc.Material() with the same name.
+
+        .. versionadded:: 0.13.2
+    n_cells : int
+        The number of cells in the DAGMC model. This is the number of cells at
+        runtime and accounts for the implicit complement whether or not is it
+        present in the DAGMC file.
+
+        .. versionadded:: 0.13.2
+    n_surfaces : int
+        The number of surfaces in the model.
+
+        .. versionadded:: 0.13.2
+    material_overrides : dict
+        A dictionary of material overrides. Keys are cell IDs; values are
+        iterables of :class:`openmc.Material` objects. The material assignment
+        of each DAGMC cell ID key will be replaced with the
+        :class:`~openmc.Material` object in the value. If the value contains
+        multiple :class:`~openmc.Material` objects, each Material in the list
+        will be assigned to the corresponding instance of the cell.
+
+        .. versionadded:: 0.15.1
+    """
+
+    def __init__(self,
+                 filename: cv.PathLike,
+                 universe_id=None,
+                 name='',
+                 auto_geom_ids=False,
+                 auto_mat_ids=False,
+                 material_overrides=None):
+        super().__init__(universe_id, name)
+        # Initialize class attributes
+        self.filename = filename
+        self.auto_geom_ids = auto_geom_ids
+        self.auto_mat_ids = auto_mat_ids
+        self._material_overrides = {}
+        if material_overrides is not None:
+            self.material_overrides = material_overrides
+
+    def __repr__(self):
+        string = super().__repr__()
+        string += '{: <16}=\t{}\n'.format('\tGeom', 'DAGMC')
+        string += '{: <16}=\t{}\n'.format('\tFile', self.filename)
+        return string
+
+    @property
+    def bounding_box(self):
+        with h5py.File(self.filename) as dagmc_file:
+            coords = dagmc_file['tstt']['nodes']['coordinates'][()]
+            lower_left_corner = coords.min(axis=0)
+            upper_right_corner = coords.max(axis=0)
+            return openmc.BoundingBox(lower_left_corner, upper_right_corner)
+
+    @property
+    def filename(self):
+        return self._filename
+
+    @filename.setter
+    def filename(self, val: cv.PathLike):
+        cv.check_type('DAGMC filename', val, cv.PathLike)
+        self._filename = input_path(val)
+
+    @property
+    def material_overrides(self):
+        return self._material_overrides
+
+    @material_overrides.setter
+    def material_overrides(self, val):
+        cv.check_type('material overrides', val, Mapping)
+        for key, value in val.items():
+            self.add_material_override(key, value)
+
+    def replace_material_assignment(self, material_name: str, material: openmc.Material):
+        """Replace a material assignment within the DAGMC universe.
+
+        Replace the material assignment of all cells filled with a material in
+        the DAGMC universe. The universe must be synchronized in an initialized
+        Model (see :meth:`~openmc.DAGMCUniverse.sync_dagmc_cells`) before
+        calling this method.
+
+        .. versionadded:: 0.15.1
+
+        Parameters
+        ----------
+        material_name : str
+            Material name to replace
+        material : openmc.Material
+            Material to replace the material_name with
+
+        """
+        if material_name not in self.material_names:
+            raise ValueError(
+                f"No material with name '{material_name}' found in the DAGMC universe")
+
+        if not self.cells:
+            raise RuntimeError("This DAGMC universe has not been synchronized "
+                               "on an initialized Model.")
+
+        for cell in self.cells.values():
+            if cell.fill is None:
+                continue
+            if isinstance(cell.fill, openmc.Iterable):
+                cell.fill = list(map(lambda x: material if x.name == material_name else x, cell.fill))
+            else:
+                cell.fill = material if cell.fill.name == material_name else cell.fill
+
+    def add_material_override(self, key, overrides=None):
+        """Add a material override to the universe.
+
+        .. versionadded:: 0.15
+
+        Parameters
+        ----------
+        key : openmc.DAGMCCell or int
+            Cell object or ID of the Cell to override
+        value : openmc.Material or Iterable of openmc.Material
+            Material(s) to be applied to the Cell passed as the key
+
+        """
+        # Ensure that they key is a valid type
+        if not isinstance(key, (int, openmc.DAGMCCell)):
+            raise ValueError("Unrecognized key type. "
+                             "Must be an integer or openmc.DAGMCCell object")
+
+        # Ensure that overrides is an iterable of openmc.Material
+        overrides = overrides if isinstance(overrides, openmc.Iterable) else [overrides]
+        cv.check_iterable_type('material objects', overrides, (openmc.Material, type(None)))
+
+        # if a DAGMCCell is passed, redcue the key to the ID of the cell
+        if isinstance(key, openmc.DAGMCCell):
+            key = key.id
+
+        if key not in self.cells:
+            raise ValueError(f"Cell ID '{key}' not found in DAGMC universe")
+
+        self._material_overrides[key] = overrides
+
+    @property
+    def auto_geom_ids(self):
+        return self._auto_geom_ids
+
+    @auto_geom_ids.setter
+    def auto_geom_ids(self, val):
+        cv.check_type('DAGMC automatic geometry ids', val, bool)
+        self._auto_geom_ids = val
+
+    @property
+    def auto_mat_ids(self):
+        return self._auto_mat_ids
+
+    @auto_mat_ids.setter
+    def auto_mat_ids(self, val):
+        cv.check_type('DAGMC automatic material ids', val, bool)
+        self._auto_mat_ids = val
+
+    @property
+    def material_names(self):
+        dagmc_file_contents = h5py.File(self.filename)
+        material_tags_hex = dagmc_file_contents['/tstt/tags/NAME'].get(
+            'values')
+        material_tags_ascii = []
+        for tag in material_tags_hex:
+            candidate_tag = tag.tobytes().decode().replace('\x00', '')
+            # tags might be for temperature or reflective surfaces
+            if candidate_tag.startswith('mat:'):
+                # if name ends with _comp remove it, it is not parsed
+                if candidate_tag.endswith('_comp'):
+                   candidate_tag = candidate_tag[:-5]
+                # removes first 4 characters as openmc.Material name should be
+                # set without the 'mat:' part of the tag
+                material_tags_ascii.append(candidate_tag[4:])
+
+        return sorted(set(material_tags_ascii))
+
+    def _n_geom_elements(self, geom_type):
+        """
+        Helper function for retrieving the number geometric entities in a DAGMC
+        file
+
+        Parameters
+        ----------
+        geom_type : str
+            The type of geometric entity to count. One of {'Volume', 'Surface'}. Returns
+            the runtime number of voumes in the DAGMC model (includes implicit complement).
+
+        Returns
+        -------
+        int
+            Number of geometry elements of the specified type
+        """
+        cv.check_value('geometry type', geom_type, ('volume', 'surface'))
+
+        def decode_str_tag(tag_val):
+            return tag_val.tobytes().decode().replace('\x00', '')
+
+        with h5py.File(self.filename) as dagmc_file:
+            category_data = dagmc_file['tstt/tags/CATEGORY/values']
+            category_strs = map(decode_str_tag, category_data)
+            n = sum([v == geom_type.capitalize() for v in category_strs])
+
+            # check for presence of an implicit complement in the file and
+            # increment the number of cells if it doesn't exist
+            if geom_type == 'volume':
+                name_data = dagmc_file['tstt/tags/NAME/values']
+                name_strs = map(decode_str_tag, name_data)
+                if not sum(['impl_complement' in n for n in name_strs]):
+                    n += 1
+        return n
+
+    @property
+    def n_cells(self):
+        return self._n_geom_elements('volume')
+
+    @property
+    def n_surfaces(self):
+        return self._n_geom_elements('surface')
+
+    def create_xml_subelement(self, xml_element, memo=None):
+        if memo is None:
+            memo = set()
+
+        if self in memo:
+            return
+
+        memo.add(self)
+
+        # Ensure that the material overrides are up-to-date
+        for cell in self.cells.values():
+            if cell.fill is None:
+                continue
+            self.add_material_override(cell, cell.fill)
+
+        # Set xml element values
+        dagmc_element = ET.Element('dagmc_universe')
+        dagmc_element.set('id', str(self.id))
+
+        if self.auto_geom_ids:
+            dagmc_element.set('auto_geom_ids', 'true')
+        if self.auto_mat_ids:
+            dagmc_element.set('auto_mat_ids', 'true')
+        dagmc_element.set('filename', str(self.filename))
+        if self._material_overrides:
+            mat_element = ET.Element('material_overrides')
+            for key in self._material_overrides:
+                cell_overrides = ET.Element('cell_override')
+                cell_overrides.set("id", str(key))
+                material_element = ET.Element('material_ids')
+                material_element.text = ' '.join(
+                    str(t.id) for t in self._material_overrides[key])
+                cell_overrides.append(material_element)
+                mat_element.append(cell_overrides)
+            dagmc_element.append(mat_element)
+        xml_element.append(dagmc_element)
+
+    def bounding_region(
+        self,
+        bounded_type: str = 'box',
+        boundary_type: str = 'vacuum',
+        starting_id: int = 10000,
+        padding_distance: float = 0.
+    ):
+        """Creates a either a spherical or box shaped bounding region around
+        the DAGMC geometry.
+
+        .. versionadded:: 0.13.1
+
+        Parameters
+        ----------
+        bounded_type : str
+            The type of bounding surface(s) to use when constructing the region.
+            Options include a single spherical surface (sphere) or a rectangle
+            made from six planes (box).
+        boundary_type : str
+            Boundary condition that defines the behavior for particles hitting
+            the surface. Defaults to vacuum boundary condition. Passed into the
+            surface construction.
+        starting_id : int
+            Starting ID of the surface(s) used in the region. For bounded_type
+            'box', the next 5 IDs will also be used. Defaults to 10000 to reduce
+            the chance of an overlap of surface IDs with the DAGMC geometry.
+        padding_distance : float
+            Distance between the bounding region surfaces and the minimal
+            bounding box. Allows for the region to be larger than the DAGMC
+            geometry.
+
+        Returns
+        -------
+        openmc.Region
+            Region instance
+        """
+
+        check_type('boundary type', boundary_type, str)
+        check_value('boundary type', boundary_type, _BOUNDARY_TYPES)
+        check_type('starting surface id', starting_id, Integral)
+        check_type('bounded type', bounded_type, str)
+        check_value('bounded type', bounded_type, ('box', 'sphere'))
+
+        bbox = self.bounding_box.expand(padding_distance, True)
+
+        if bounded_type == 'sphere':
+            radius = np.linalg.norm(bbox.upper_right - bbox.center)
+            bounding_surface = openmc.Sphere(
+                surface_id=starting_id,
+                x0=bbox.center[0],
+                y0=bbox.center[1],
+                z0=bbox.center[2],
+                boundary_type=boundary_type,
+                r=radius,
+            )
+
+            return -bounding_surface
+
+        if bounded_type == 'box':
+            # defines plane surfaces for all six faces of the bounding box
+            lower_x = openmc.XPlane(bbox[0][0], surface_id=starting_id)
+            upper_x = openmc.XPlane(bbox[1][0], surface_id=starting_id+1)
+            lower_y = openmc.YPlane(bbox[0][1], surface_id=starting_id+2)
+            upper_y = openmc.YPlane(bbox[1][1], surface_id=starting_id+3)
+            lower_z = openmc.ZPlane(bbox[0][2], surface_id=starting_id+4)
+            upper_z = openmc.ZPlane(bbox[1][2], surface_id=starting_id+5)
+
+            region = +lower_x & -upper_x & +lower_y & -upper_y & +lower_z & -upper_z
+
+            for surface in region.get_surfaces().values():
+                surface.boundary_type = boundary_type
+
+            return region
+
+    def bounded_universe(self, bounding_cell_id=10000, **kwargs):
+        """Returns an openmc.Universe filled with this DAGMCUniverse and bounded
+        with a cell. Defaults to a box cell with a vacuum surface however this
+        can be changed using the kwargs which are passed directly to
+        DAGMCUniverse.bounding_region().
+
+        Parameters
+        ----------
+        bounding_cell_id : int
+            The cell ID number to use for the bounding cell, defaults to 10000 to reduce
+            the chance of overlapping ID numbers with the DAGMC geometry.
+
+        Returns
+        -------
+        openmc.Universe
+            Universe instance
+        """
+        bounding_cell = openmc.Cell(
+            fill=self, cell_id=bounding_cell_id, region=self.bounding_region(**kwargs))
+        return openmc.Universe(cells=[bounding_cell])
+
+    @classmethod
+    def from_hdf5(cls, group):
+        """Create DAGMC universe from HDF5 group
+
+        Parameters
+        ----------
+        group : h5py.Group
+            Group in HDF5 file
+
+        Returns
+        -------
+        openmc.DAGMCUniverse
+            DAGMCUniverse instance
+
+        """
+        id = int(group.name.split('/')[-1].lstrip('universe '))
+        fname = group['filename'][()].decode()
+        name = group['name'][()].decode() if 'name' in group else None
+
+        out = cls(fname, universe_id=id, name=name)
+
+        out.auto_geom_ids = bool(group.attrs['auto_geom_ids'])
+        out.auto_mat_ids = bool(group.attrs['auto_mat_ids'])
+
+        return out
+
+    @classmethod
+    def from_xml_element(cls, elem, mats = None):
+        """Generate DAGMC universe from XML element
+
+        Parameters
+        ----------
+        elem : lxml.etree._Element
+            `<dagmc_universe>` element
+        mats : dict
+            Dictionary mapping material ID strings to :class:`openmc.Material`
+            instances (defined in :meth:`openmc.Geometry.from_xml`)
+
+        Returns
+        -------
+        openmc.DAGMCUniverse
+            DAGMCUniverse instance
+
+        """
+        id = int(get_text(elem, 'id'))
+        fname = get_text(elem, 'filename')
+
+        out = cls(fname, universe_id=id)
+
+        name = get_text(elem, 'name')
+        if name is not None:
+            out.name = name
+
+        out.auto_geom_ids = bool(elem.get('auto_geom_ids'))
+        out.auto_mat_ids = bool(elem.get('auto_mat_ids'))
+
+        el_mat_override = elem.find('material_overrides')
+        if el_mat_override is not None:
+            if mats is None:
+                raise ValueError("Material overrides found in DAGMC universe "
+                                 "but no materials were provided to populate "
+                                 "the mapping.")
+            out._material_overrides = {}
+            for elem in el_mat_override.findall('cell_override'):
+                cell_id = int(get_text(elem, 'id'))
+                mat_ids = get_text(elem, 'material_ids').split(' ')
+                mat_objs = [mats[mat_id] for mat_id in mat_ids]
+                out._material_overrides[cell_id] = mat_objs
+
+        return out
+
+    def _partial_deepcopy(self):
+        """Clone all of the openmc.DAGMCUniverse object's attributes except for
+        its cells, as they are copied within the clone function. This should
+        only to be used within the openmc.UniverseBase.clone() context.
+        """
+        clone = openmc.DAGMCUniverse(name=self.name, filename=self.filename)
+        clone.volume = self.volume
+        clone.auto_geom_ids = self.auto_geom_ids
+        clone.auto_mat_ids = self.auto_mat_ids
+        return clone
+
+    def add_cell(self, cell):
+        """Add a cell to the universe.
+
+        Parameters
+        ----------
+        cell : openmc.DAGMCCell
+            Cell to add
+
+        """
+        if not isinstance(cell, openmc.DAGMCCell):
+            msg = f'Unable to add a DAGMCCell to DAGMCUniverse '  \
+                  f'ID="{self._id}" since "{cell}" is not a DAGMCCell'
+            raise TypeError(msg)
+
+        cell_id = cell.id
+
+        if cell_id not in self._cells:
+            self._cells[cell_id] = cell
+
+    def remove_cell(self, cell):
+        """Remove a cell from the universe.
+
+        Parameters
+        ----------
+        cell : openmc.Cell
+            Cell to remove
+
+        """
+
+        if not isinstance(cell, openmc.DAGMCCell):
+            msg = f'Unable to remove a Cell from Universe ID="{self._id}" ' \
+                f'since "{cell}" is not a Cell'
+            raise TypeError(msg)
+
+        # If the Cell is in the Universe's list of Cells, delete it
+        self._cells.pop(cell.id, None)
+
+    def sync_dagmc_cells(self, mats: Iterable[openmc.Material]):
+        """Synchronize DAGMC cell information between Python and C API
+
+        .. versionadded:: 0.15.1
+
+        Parameters
+        ----------
+        mats : iterable of openmc.Material
+            Iterable of materials to assign to the DAGMC cells
+
+        """
+        import openmc.lib
+        if not openmc.lib.is_initialized:
+            raise RuntimeError("This universe must be part of an openmc.Model "
+                               "initialized via Model.init_lib before calling "
+                               "this method.")
+
+        dagmc_cell_ids = openmc.lib.dagmc.dagmc_universe_cell_ids(self.id)
+        if len(dagmc_cell_ids) != self.n_cells:
+            raise ValueError(
+                f"Number of cells in DAGMC universe {self.id} does not match "
+                f"the number of cells in the Python universe."
+            )
+
+        mats_per_id = {mat.id: mat for mat in mats}
+        for dag_cell_id in dagmc_cell_ids:
+            dag_cell = openmc.lib.cells[dag_cell_id]
+            if isinstance(dag_cell.fill, Iterable):
+                fill = [mats_per_id[mat.id] for mat in dag_cell.fill if mat]
+            else:
+                fill = mats_per_id[dag_cell.fill.id] if dag_cell.fill else None
+            self.add_cell(openmc.DAGMCCell(cell_id=dag_cell_id, fill=fill))
+
+
+class DAGMCCell(openmc.Cell):
+    """A cell class for DAGMC-based geometries.
+
+    .. versionadded:: 0.15.1
+
+    Parameters
+    ----------
+    cell_id : int or None, optional
+        Unique identifier for the cell. If None, an identifier will be
+        automatically assigned.
+    name : str, optional
+        Name of the cell.
+    fill : openmc.Material or None, optional
+        Material filling the cell. If None, the cell is filled with vacuum.
+
+    Attributes
+    ----------
+    DAG_parent_universe : int
+        The parent universe of the cell.
+
+    """
+    def __init__(self, cell_id=None, name='', fill=None):
+        super().__init__(cell_id, name, fill, None)
+
+    @property
+    def DAG_parent_universe(self):
+        """Get the parent universe of the cell."""
+        return self._parent_universe
+
+    @DAG_parent_universe.setter
+    def DAG_parent_universe(self, universe):
+        """Set the parent universe of the cell."""
+        self._parent_universe = universe.id
+
+    def bounding_box(self):
+        return BoundingBox.infinite()
+
+    def get_all_cells(self, memo=None):
+        return {}
+
+    def get_all_universes(self, memo=None):
+        return {}
+
+    def clone(self, clone_materials=True, clone_regions=True, memo=None):
+        warnings.warn("clone is not available for cells in a DAGMC universe")
+        return self
+
+    def plot(self, *args, **kwargs):
+        raise TypeError("plot is not available for DAGMC cells.")
+
+    def create_xml_subelement(self, xml_element, memo=None):
+        raise TypeError("create_xml_subelement is not available for DAGMC cells.")
+
+    @classmethod
+    def from_xml_element(cls, elem, surfaces, materials, get_universe):
+        raise TypeError("from_xml_element is not available for DAGMC cells.")
diff --git a/openmc/geometry.py b/openmc/geometry.py
index a52dc4418..28e1e48ec 100644
--- a/openmc/geometry.py
+++ b/openmc/geometry.py
@@ -217,7 +217,7 @@ class Geometry:
 
         # Add any DAGMC universes
         for e in elem.findall('dagmc_universe'):
-            dag_univ = openmc.DAGMCUniverse.from_xml_element(e)
+            dag_univ = openmc.DAGMCUniverse.from_xml_element(e, mats)
             universes[dag_univ.id] = dag_univ
 
         # Dictionary that maps each universe to a list of cells/lattices that
diff --git a/openmc/lib/__init__.py b/openmc/lib/__init__.py
index 9bb2efb38..5fe35b974 100644
--- a/openmc/lib/__init__.py
+++ b/openmc/lib/__init__.py
@@ -68,6 +68,7 @@ from .settings import settings
 from .math import *
 from .plot import *
 from .weight_windows import *
+from .dagmc import *
 
 # Flag to denote whether or not openmc.lib.init has been called
 # TODO: Establish and use a flag in the C++ code to represent the status of the
diff --git a/openmc/lib/dagmc.py b/openmc/lib/dagmc.py
new file mode 100644
index 000000000..18ec81a4b
--- /dev/null
+++ b/openmc/lib/dagmc.py
@@ -0,0 +1,43 @@
+from ctypes import c_int, c_int32, POINTER, c_size_t
+
+import numpy as np
+
+from . import _dll
+from .error import _error_handler
+
+
+__all__ = [
+    'dagmc_universe_cell_ids'
+]
+
+# DAGMC functions
+_dll.openmc_dagmc_universe_get_cell_ids.argtypes = [c_int32, POINTER(c_int32), POINTER(c_size_t)]
+_dll.openmc_dagmc_universe_get_cell_ids.restype = c_int
+_dll.openmc_dagmc_universe_get_cell_ids.errcheck = _error_handler
+_dll.openmc_dagmc_universe_get_num_cells.argtypes = [c_int32, POINTER(c_size_t)]
+_dll.openmc_dagmc_universe_get_num_cells.restype = c_int
+_dll.openmc_dagmc_universe_get_num_cells.errcheck = _error_handler
+
+
+def dagmc_universe_cell_ids(universe_id: int) -> np.ndarray:
+    """Return an array of cell IDs for a DAGMC universe.
+
+    Parameters
+    ----------
+    dagmc_id : int
+        ID of the DAGMC universe to get cell IDs from.
+
+    Returns
+    -------
+    numpy.ndarray
+        DAGMC cell IDs for the universe.
+
+    """
+    n = c_size_t()
+    _dll.openmc_dagmc_universe_get_num_cells(universe_id, n)
+    cell_ids = np.empty(n.value, dtype=np.int32)
+
+    _dll.openmc_dagmc_universe_get_cell_ids(
+        universe_id, cell_ids.ctypes.data_as(POINTER(c_int32)), n
+    )
+    return cell_ids
diff --git a/openmc/model/model.py b/openmc/model/model.py
index 49cb0a83e..5137ea1ab 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -1,7 +1,6 @@
 from __future__ import annotations
 from collections.abc import Iterable
 from functools import lru_cache
-import os
 from pathlib import Path
 from numbers import Integral
 from tempfile import NamedTemporaryFile
@@ -15,8 +14,9 @@ import openmc
 import openmc._xml as xml
 from openmc.dummy_comm import DummyCommunicator
 from openmc.executor import _process_CLI_arguments
-from openmc.checkvalue import check_type, check_value, PathLike
+from openmc.checkvalue import check_type, check_value
 from openmc.exceptions import InvalidIDError
+import openmc.lib
 from openmc.utility_funcs import change_directory
 
 
@@ -324,6 +324,28 @@ class Model:
         # communicator
         openmc.lib.init(args=args, intracomm=intracomm, output=output)
 
+    def sync_dagmc_universes(self):
+        """Synchronize all DAGMC universes in the current geometry.
+
+        This method iterates over all DAGMC universes in the geometry and
+        synchronizes their cells with the current material assignments. Requires
+        that the model has been initialized via :meth:`Model.init_lib`.
+
+        .. versionadded:: 0.15.1
+
+        """
+        if self.is_initialized:
+            if self.materials:
+                materials = self.materials
+            else:
+                materials = list(self.geometry.get_all_materials().values())
+            for univ in self.geometry.get_all_universes().values():
+                if isinstance(univ, openmc.DAGMCUniverse):
+                    univ.sync_dagmc_cells(materials)
+        else:
+            raise ValueError("The model must be initialized before calling "
+                             "this method")
+
     def finalize_lib(self):
         """Finalize simulation and free memory allocated for the C API
 
@@ -1154,51 +1176,86 @@ class Model:
 
         self._change_py_lib_attribs(names_or_ids, volume, 'material', 'volume')
 
-    def differentiate_depletable_mats(self, diff_volume_method: str):
+    def differentiate_depletable_mats(self, diff_volume_method: str = None):
         """Assign distribmats for each depletable material
 
         .. versionadded:: 0.14.0
 
+        .. versionchanged:: 0.15.1
+            diff_volume_method default is None, do not set volumes on the new
+            material ovjects. Is now a convenience method for
+            differentiate_mats(diff_volume_method, depletable_only=True)
+
         Parameters
         ----------
         diff_volume_method : str
             Specifies how the volumes of the new materials should be found.
-            Default is to 'divide equally' which divides the original material
-            volume equally between the new materials, 'match cell' sets the
-            volume of the material to volume of the cell they fill.
+            - None: Do not assign volumes to the new materials (Default)
+            - 'divide_equally': Divide the original material volume equally between the new materials
+            - 'match cell': Set the volume of the material to the volume of the cell they fill
         """
+        self.differentiate_mats(diff_volume_method, depletable_only=True)
+
+    def differentiate_mats(self, diff_volume_method: str = None, depletable_only: bool = True):
+        """Assign distribmats for each material
+
+        .. versionadded:: 0.15.1
+
+        Parameters
+        ----------
+        diff_volume_method : str
+            Specifies how the volumes of the new materials should be found.
+            - None: Do not assign volumes to the new materials (Default)
+            - 'divide_equally': Divide the original material volume equally between the new materials
+            - 'match cell': Set the volume of the material to the volume of the cell they fill
+        depletable_only : bool
+            Default is True, only depletable materials will be differentiated. If False, all materials will be
+            differentiated.
+        """
+        check_value('volume differentiation method', diff_volume_method, ("divide equally", "match cell", None))
+
         # Count the number of instances for each cell and material
         self.geometry.determine_paths(instances_only=True)
 
-        # Extract all depletable materials which have multiple instances
-        distribmats = set(
-            [mat for mat in self.materials
-                if mat.depletable and mat.num_instances > 1])
-
-        if diff_volume_method == 'divide equally':
-            for mat in distribmats:
-                if mat.volume is None:
-                    raise RuntimeError("Volume not specified for depletable "
-                                        f"material with ID={mat.id}.")
-                mat.volume /= mat.num_instances
-
-        if distribmats:
-            # Assign distribmats to cells
-            for cell in self.geometry.get_all_material_cells().values():
-                if cell.fill in distribmats:
-                    mat = cell.fill
-                    if diff_volume_method == 'divide equally':
-                        cell.fill = [mat.clone() for _ in range(cell.num_instances)]
-                    elif diff_volume_method == 'match cell':
-                        for _ in range(cell.num_instances):
-                            cell.fill = mat.clone()
+        # Find all or depletable_only materials which have multiple instance
+        distribmats = set()
+        for mat in self.materials:
+            # Differentiate all materials with multiple instances
+            diff_mat = mat.num_instances > 1
+            # If depletable_only is True, differentiate only depletable materials
+            if depletable_only:
+                diff_mat = diff_mat and mat.depletable
+            if diff_mat:
+                # Assign volumes to the materials according to requirements
+                if diff_volume_method == "divide equally":
+                    if mat.volume is None:
+                        raise RuntimeError(
+                            "Volume not specified for "
+                            f"material with ID={mat.id}.")
+                    else:
+                        mat.volume /= mat.num_instances
+                elif diff_volume_method == "match cell":
+                    for cell in self.geometry.get_all_material_cells().values():
+                        if cell.fill == mat:
                             if not cell.volume:
                                 raise ValueError(
                                     f"Volume of cell ID={cell.id} not specified. "
                                     "Set volumes of cells prior to using "
-                                    "diff_volume_method='match cell'."
-                                )
-                            cell.fill.volume = cell.volume
+                                    "diff_volume_method='match cell'.")
+                distribmats.add(mat)
+
+        if not distribmats:
+            return
+
+        # Assign distribmats to cells
+        for cell in self.geometry.get_all_material_cells().values():
+            if cell.fill in distribmats:
+                mat = cell.fill
+                if diff_volume_method != 'match cell':
+                    cell.fill = [mat.clone() for _ in range(cell.num_instances)]
+                elif diff_volume_method == 'match cell':
+                    cell.fill = mat.clone()
+                    cell.fill.volume = cell.volume
 
         if self.materials is not None:
             self.materials = openmc.Materials(
diff --git a/openmc/universe.py b/openmc/universe.py
index 648b773df..85ce6fd96 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -2,22 +2,16 @@ from __future__ import annotations
 import math
 from abc import ABC, abstractmethod
 from collections.abc import Iterable
-from numbers import Integral, Real
+from numbers import Real
 from pathlib import Path
 from tempfile import TemporaryDirectory
 import warnings
 
-import h5py
-import lxml.etree as ET
 import numpy as np
 
 import openmc
 import openmc.checkvalue as cv
-from ._xml import get_text
-from .checkvalue import check_type, check_value
 from .mixin import IDManagerMixin
-from .surface import _BOUNDARY_TYPES
-from .utility_funcs import input_path
 
 
 class UniverseBase(ABC, IDManagerMixin):
@@ -55,6 +49,10 @@ class UniverseBase(ABC, IDManagerMixin):
     def name(self):
         return self._name
 
+    @property
+    def cells(self):
+        return self._cells
+
     @name.setter
     def name(self, name):
         if name is not None:
@@ -135,6 +133,130 @@ class UniverseBase(ABC, IDManagerMixin):
 
         """
 
+    def _determine_paths(self, path='', instances_only=False):
+        """Count the number of instances for each cell in the universe, and
+        record the count in the :attr:`Cell.num_instances` properties."""
+
+        univ_path = path + f'u{self.id}'
+
+        for cell in self.cells.values():
+            cell_path = f'{univ_path}->c{cell.id}'
+            fill = cell._fill
+            fill_type = cell.fill_type
+
+            # If universe-filled, recursively count cells in filling universe
+            if fill_type == 'universe':
+                fill._determine_paths(cell_path + '->', instances_only)
+            # If lattice-filled, recursively call for all universes in lattice
+            elif fill_type == 'lattice':
+                latt = fill
+
+                # Count instances in each universe in the lattice
+                for index in latt._natural_indices:
+                    latt_path = '{}->l{}({})->'.format(
+                        cell_path, latt.id, ",".join(str(x) for x in index))
+                    univ = latt.get_universe(index)
+                    univ._determine_paths(latt_path, instances_only)
+
+            else:
+                if fill_type == 'material':
+                    mat = fill
+                elif fill_type == 'distribmat':
+                    mat = fill[cell._num_instances]
+                else:
+                    mat = None
+
+                if mat is not None:
+                    mat._num_instances += 1
+                    if not instances_only:
+                        mat._paths.append(f'{cell_path}->m{mat.id}')
+
+            # Append current path
+            cell._num_instances += 1
+            if not instances_only:
+                cell._paths.append(cell_path)
+
+    def add_cells(self, cells):
+        """Add multiple cells to the universe.
+
+        Parameters
+        ----------
+        cells : Iterable of openmc.Cell
+            Cells to add
+
+        """
+
+        if not isinstance(cells, Iterable):
+            msg = f'Unable to add Cells to Universe ID="{self._id}" since ' \
+                  f'"{cells}" is not iterable'
+            raise TypeError(msg)
+
+        for cell in cells:
+            self.add_cell(cell)
+
+    @abstractmethod
+    def add_cell(self, cell):
+        pass
+
+    @abstractmethod
+    def remove_cell(self, cell):
+        pass
+
+    def clear_cells(self):
+        """Remove all cells from the universe."""
+
+        self._cells.clear()
+
+    def get_all_cells(self, memo=None):
+        """Return all cells that are contained within the universe
+
+        Returns
+        -------
+        cells : dict
+            Dictionary whose keys are cell IDs and values are :class:`Cell`
+            instances
+
+        """
+
+        if memo is None:
+            memo = set()
+        elif self in memo:
+            return {}
+        memo.add(self)
+
+        # Add this Universe's cells to the dictionary
+        cells = {}
+        cells.update(self._cells)
+
+        # Append all Cells in each Cell in the Universe to the dictionary
+        for cell in self._cells.values():
+            cells.update(cell.get_all_cells(memo))
+
+        return cells
+
+    def get_all_materials(self, memo=None):
+        """Return all materials that are contained within the universe
+
+        Returns
+        -------
+        materials : dict
+            Dictionary whose keys are material IDs and values are
+            :class:`Material` instances
+
+        """
+
+        if memo is None:
+            memo = set()
+
+        materials = {}
+
+        # Append all Cells in each Cell in the Universe to the dictionary
+        cells = self.get_all_cells(memo)
+        for cell in cells.values():
+            materials.update(cell.get_all_materials(memo))
+
+        return materials
+
     @abstractmethod
     def _partial_deepcopy(self):
         """Deepcopy all parameters of an openmc.UniverseBase object except its cells.
@@ -182,93 +304,6 @@ class UniverseBase(ABC, IDManagerMixin):
 
         return memo[self]
 
-
-class Universe(UniverseBase):
-    """A collection of cells that can be repeated.
-
-    Parameters
-    ----------
-    universe_id : int, optional
-        Unique identifier of the universe. If not specified, an identifier will
-        automatically be assigned
-    name : str, optional
-        Name of the universe. If not specified, the name is the empty string.
-    cells : Iterable of openmc.Cell, optional
-        Cells to add to the universe. By default no cells are added.
-
-    Attributes
-    ----------
-    id : int
-        Unique identifier of the universe
-    name : str
-        Name of the universe
-    cells : dict
-        Dictionary whose keys are cell IDs and values are :class:`Cell`
-        instances
-    volume : float
-        Volume of the universe in cm^3. This can either be set manually or
-        calculated in a stochastic volume calculation and added via the
-        :meth:`Universe.add_volume_information` method.
-    bounding_box : openmc.BoundingBox
-        Lower-left and upper-right coordinates of an axis-aligned bounding box
-        of the universe.
-
-    """
-
-    def __init__(self, universe_id=None, name='', cells=None):
-        super().__init__(universe_id, name)
-
-        if cells is not None:
-            self.add_cells(cells)
-
-    def __repr__(self):
-        string = super().__repr__()
-        string += '{: <16}=\t{}\n'.format('\tGeom', 'CSG')
-        string += '{: <16}=\t{}\n'.format('\tCells', list(self._cells.keys()))
-        return string
-
-    @property
-    def cells(self):
-        return self._cells
-
-    @property
-    def bounding_box(self) -> openmc.BoundingBox:
-        regions = [c.region for c in self.cells.values()
-                   if c.region is not None]
-        if regions:
-            return openmc.Union(regions).bounding_box
-        else:
-            return openmc.BoundingBox.infinite()
-
-    @classmethod
-    def from_hdf5(cls, group, cells):
-        """Create universe from HDF5 group
-
-        Parameters
-        ----------
-        group : h5py.Group
-            Group in HDF5 file
-        cells : dict
-            Dictionary mapping cell IDs to instances of :class:`openmc.Cell`.
-
-        Returns
-        -------
-        openmc.Universe
-            Universe instance
-
-        """
-        universe_id = int(group.name.split('/')[-1].lstrip('universe '))
-        cell_ids = group['cells'][()]
-
-        # Create this Universe
-        universe = cls(universe_id)
-
-        # Add each Cell to the Universe
-        for cell_id in cell_ids:
-            universe.add_cell(cells[cell_id])
-
-        return universe
-
     def find(self, point):
         """Find cells/universes/lattices which contain a given point
 
@@ -528,67 +563,6 @@ class Universe(UniverseBase):
             axes.imshow(img, extent=(x_min, x_max, y_min, y_max), **kwargs)
             return axes
 
-    def add_cell(self, cell):
-        """Add a cell to the universe.
-
-        Parameters
-        ----------
-        cell : openmc.Cell
-            Cell to add
-
-        """
-
-        if not isinstance(cell, openmc.Cell):
-            msg = f'Unable to add a Cell to Universe ID="{self._id}" since ' \
-                  f'"{cell}" is not a Cell'
-            raise TypeError(msg)
-
-        cell_id = cell.id
-
-        if cell_id not in self._cells:
-            self._cells[cell_id] = cell
-
-    def add_cells(self, cells):
-        """Add multiple cells to the universe.
-
-        Parameters
-        ----------
-        cells : Iterable of openmc.Cell
-            Cells to add
-
-        """
-
-        if not isinstance(cells, Iterable):
-            msg = f'Unable to add Cells to Universe ID="{self._id}" since ' \
-                  f'"{cells}" is not iterable'
-            raise TypeError(msg)
-
-        for cell in cells:
-            self.add_cell(cell)
-
-    def remove_cell(self, cell):
-        """Remove a cell from the universe.
-
-        Parameters
-        ----------
-        cell : openmc.Cell
-            Cell to remove
-
-        """
-
-        if not isinstance(cell, openmc.Cell):
-            msg = f'Unable to remove a Cell from Universe ID="{self._id}" ' \
-                  f'since "{cell}" is not a Cell'
-            raise TypeError(msg)
-
-        # If the Cell is in the Universe's list of Cells, delete it
-        self._cells.pop(cell.id, None)
-
-    def clear_cells(self):
-        """Remove all cells from the universe."""
-
-        self._cells.clear()
-
     def get_nuclides(self):
         """Returns all nuclides in the universe
 
@@ -636,55 +610,128 @@ class Universe(UniverseBase):
 
         return nuclides
 
-    def get_all_cells(self, memo=None):
-        """Return all cells that are contained within the universe
 
-        Returns
-        -------
+
+class Universe(UniverseBase):
+    """A collection of cells that can be repeated.
+
+    Parameters
+    ----------
+    universe_id : int, optional
+        Unique identifier of the universe. If not specified, an identifier will
+        automatically be assigned
+    name : str, optional
+        Name of the universe. If not specified, the name is the empty string.
+    cells : Iterable of openmc.Cell, optional
+        Cells to add to the universe. By default no cells are added.
+
+    Attributes
+    ----------
+    id : int
+        Unique identifier of the universe
+    name : str
+        Name of the universe
+    cells : dict
+        Dictionary whose keys are cell IDs and values are :class:`Cell`
+        instances
+    volume : float
+        Volume of the universe in cm^3. This can either be set manually or
+        calculated in a stochastic volume calculation and added via the
+        :meth:`Universe.add_volume_information` method.
+    bounding_box : openmc.BoundingBox
+        Lower-left and upper-right coordinates of an axis-aligned bounding box
+        of the universe.
+
+    """
+
+    def __init__(self, universe_id=None, name='', cells=None):
+        super().__init__(universe_id, name)
+
+        if cells is not None:
+            self.add_cells(cells)
+
+    def __repr__(self):
+        string = super().__repr__()
+        string += '{: <16}=\t{}\n'.format('\tGeom', 'CSG')
+        string += '{: <16}=\t{}\n'.format('\tCells', list(self._cells.keys()))
+        return string
+
+    @property
+    def bounding_box(self) -> openmc.BoundingBox:
+        regions = [c.region for c in self.cells.values()
+                   if c.region is not None]
+        if regions:
+            return openmc.Union(regions).bounding_box
+        else:
+            return openmc.BoundingBox.infinite()
+
+    @classmethod
+    def from_hdf5(cls, group, cells):
+        """Create universe from HDF5 group
+
+        Parameters
+        ----------
+        group : h5py.Group
+            Group in HDF5 file
         cells : dict
-            Dictionary whose keys are cell IDs and values are :class:`Cell`
-            instances
-
-        """
-
-        if memo is None:
-            memo = set()
-        elif self in memo:
-            return {}
-        memo.add(self)
-
-        # Add this Universe's cells to the dictionary
-        cells = {}
-        cells.update(self._cells)
-
-        # Append all Cells in each Cell in the Universe to the dictionary
-        for cell in self._cells.values():
-            cells.update(cell.get_all_cells(memo))
-
-        return cells
-
-    def get_all_materials(self, memo=None):
-        """Return all materials that are contained within the universe
+            Dictionary mapping cell IDs to instances of :class:`openmc.Cell`.
 
         Returns
         -------
-        materials : dict
-            Dictionary whose keys are material IDs and values are
-            :class:`Material` instances
+        openmc.Universe
+            Universe instance
+
+        """
+        universe_id = int(group.name.split('/')[-1].lstrip('universe '))
+        cell_ids = group['cells'][()]
+
+        # Create this Universe
+        universe = cls(universe_id)
+
+        # Add each Cell to the Universe
+        for cell_id in cell_ids:
+            universe.add_cell(cells[cell_id])
+
+        return universe
+
+
+    def add_cell(self, cell):
+        """Add a cell to the universe.
+
+        Parameters
+        ----------
+        cell : openmc.Cell
+            Cell to add
 
         """
 
-        if memo is None:
-            memo = set()
+        if not isinstance(cell, openmc.Cell):
+            msg = f'Unable to add a Cell to Universe ID="{self._id}" since ' \
+                  f'"{cell}" is not a Cell'
+            raise TypeError(msg)
 
-        materials = {}
+        cell_id = cell.id
 
-        # Append all Cells in each Cell in the Universe to the dictionary
-        cells = self.get_all_cells(memo)
-        for cell in cells.values():
-            materials.update(cell.get_all_materials(memo))
+        if cell_id not in self._cells:
+            self._cells[cell_id] = cell
 
-        return materials
+    def remove_cell(self, cell):
+        """Remove a cell from the universe.
+
+        Parameters
+        ----------
+        cell : openmc.Cell
+            Cell to remove
+
+        """
+
+        if not isinstance(cell, openmc.Cell):
+            msg = f'Unable to remove a Cell from Universe ID="{self._id}" ' \
+                  f'since "{cell}" is not a Cell'
+            raise TypeError(msg)
+
+        # If the Cell is in the Universe's list of Cells, delete it
+        self._cells.pop(cell.id, None)
 
     def create_xml_subelement(self, xml_element, memo=None):
         if memo is None:
@@ -706,50 +753,6 @@ class Universe(UniverseBase):
             cell_element.set("universe", str(self._id))
             xml_element.append(cell_element)
 
-    def _determine_paths(self, path='', instances_only=False):
-        """Count the number of instances for each cell in the universe, and
-        record the count in the :attr:`Cell.num_instances` properties."""
-
-        univ_path = path + f'u{self.id}'
-
-        for cell in self.cells.values():
-            cell_path = f'{univ_path}->c{cell.id}'
-            fill = cell._fill
-            fill_type = cell.fill_type
-
-            # If universe-filled, recursively count cells in filling universe
-            if fill_type == 'universe':
-                fill._determine_paths(cell_path + '->', instances_only)
-
-            # If lattice-filled, recursively call for all universes in lattice
-            elif fill_type == 'lattice':
-                latt = fill
-
-                # Count instances in each universe in the lattice
-                for index in latt._natural_indices:
-                    latt_path = '{}->l{}({})->'.format(
-                        cell_path, latt.id, ",".join(str(x) for x in index))
-                    univ = latt.get_universe(index)
-                    univ._determine_paths(latt_path, instances_only)
-
-            else:
-                if fill_type == 'material':
-                    mat = fill
-                elif fill_type == 'distribmat':
-                    mat = fill[cell._num_instances]
-                else:
-                    mat = None
-
-                if mat is not None:
-                    mat._num_instances += 1
-                    if not instances_only:
-                        mat._paths.append(f'{cell_path}->m{mat.id}')
-
-            # Append current path
-            cell._num_instances += 1
-            if not instances_only:
-                cell._paths.append(cell_path)
-
     def _partial_deepcopy(self):
         """Clone all of the openmc.Universe object's attributes except for its cells,
         as they are copied within the clone function. This should only to be
@@ -758,363 +761,3 @@ class Universe(UniverseBase):
         clone = openmc.Universe(name=self.name)
         clone.volume = self.volume
         return clone
-
-
-class DAGMCUniverse(UniverseBase):
-    """A reference to a DAGMC file to be used in the model.
-
-    .. versionadded:: 0.13.0
-
-    Parameters
-    ----------
-    filename : path-like
-        Path to the DAGMC file used to represent this universe.
-    universe_id : int, optional
-        Unique identifier of the universe. If not specified, an identifier will
-        automatically be assigned.
-    name : str, optional
-        Name of the universe. If not specified, the name is the empty string.
-    auto_geom_ids : bool
-        Set IDs automatically on initialization (True) or report overlaps in ID
-        space between CSG and DAGMC (False)
-    auto_mat_ids : bool
-        Set IDs automatically on initialization (True)  or report overlaps in ID
-        space between OpenMC and UWUW materials (False)
-
-    Attributes
-    ----------
-    id : int
-        Unique identifier of the universe
-    name : str
-        Name of the universe
-    filename : str
-        Path to the DAGMC file used to represent this universe.
-    auto_geom_ids : bool
-        Set IDs automatically on initialization (True) or report overlaps in ID
-        space between CSG and DAGMC (False)
-    auto_mat_ids : bool
-        Set IDs automatically on initialization (True)  or report overlaps in ID
-        space between OpenMC and UWUW materials (False)
-    bounding_box : openmc.BoundingBox
-        Lower-left and upper-right coordinates of an axis-aligned bounding box
-        of the universe.
-
-        .. versionadded:: 0.13.1
-    material_names : list of str
-        Return a sorted list of materials names that are contained within the
-        DAGMC h5m file. This is useful when naming openmc.Material() objects
-        as each material name present in the DAGMC h5m file must have a
-        matching openmc.Material() with the same name.
-
-        .. versionadded:: 0.13.2
-    n_cells : int
-        The number of cells in the DAGMC model. This is the number of cells at
-        runtime and accounts for the implicit complement whether or not is it
-        present in the DAGMC file.
-
-        .. versionadded:: 0.13.2
-    n_surfaces : int
-        The number of surfaces in the model.
-
-        .. versionadded:: 0.13.2
-
-    """
-
-    def __init__(self,
-                 filename: cv.PathLike,
-                 universe_id=None,
-                 name='',
-                 auto_geom_ids=False,
-                 auto_mat_ids=False):
-        super().__init__(universe_id, name)
-        # Initialize class attributes
-        self.filename = filename
-        self.auto_geom_ids = auto_geom_ids
-        self.auto_mat_ids = auto_mat_ids
-
-    def __repr__(self):
-        string = super().__repr__()
-        string += '{: <16}=\t{}\n'.format('\tGeom', 'DAGMC')
-        string += '{: <16}=\t{}\n'.format('\tFile', self.filename)
-        return string
-
-    @property
-    def bounding_box(self):
-        with h5py.File(self.filename) as dagmc_file:
-            coords = dagmc_file['tstt']['nodes']['coordinates'][()]
-            lower_left_corner = coords.min(axis=0)
-            upper_right_corner = coords.max(axis=0)
-            return openmc.BoundingBox(lower_left_corner, upper_right_corner)
-
-    @property
-    def filename(self):
-        return self._filename
-
-    @filename.setter
-    def filename(self, val: cv.PathLike):
-        cv.check_type('DAGMC filename', val, cv.PathLike)
-        self._filename = input_path(val)
-
-    @property
-    def auto_geom_ids(self):
-        return self._auto_geom_ids
-
-    @auto_geom_ids.setter
-    def auto_geom_ids(self, val):
-        cv.check_type('DAGMC automatic geometry ids', val, bool)
-        self._auto_geom_ids = val
-
-    @property
-    def auto_mat_ids(self):
-        return self._auto_mat_ids
-
-    @auto_mat_ids.setter
-    def auto_mat_ids(self, val):
-        cv.check_type('DAGMC automatic material ids', val, bool)
-        self._auto_mat_ids = val
-
-    @property
-    def material_names(self):
-        dagmc_file_contents = h5py.File(self.filename)
-        material_tags_hex = dagmc_file_contents['/tstt/tags/NAME'].get(
-            'values')
-        material_tags_ascii = []
-        for tag in material_tags_hex:
-            candidate_tag = tag.tobytes().decode().replace('\x00', '')
-            # tags might be for temperature or reflective surfaces
-            if candidate_tag.startswith('mat:'):
-                # removes first 4 characters as openmc.Material name should be
-                # set without the 'mat:' part of the tag
-                material_tags_ascii.append(candidate_tag[4:])
-
-        return sorted(set(material_tags_ascii))
-
-    def get_all_cells(self, memo=None):
-        return {}
-
-    def get_all_materials(self, memo=None):
-        return {}
-
-    def _n_geom_elements(self, geom_type):
-        """
-        Helper function for retrieving the number geometric entities in a DAGMC
-        file
-
-        Parameters
-        ----------
-        geom_type : str
-            The type of geometric entity to count. One of {'Volume', 'Surface'}. Returns
-            the runtime number of voumes in the DAGMC model (includes implicit complement).
-
-        Returns
-        -------
-        int
-            Number of geometry elements of the specified type
-        """
-        cv.check_value('geometry type', geom_type, ('volume', 'surface'))
-
-        def decode_str_tag(tag_val):
-            return tag_val.tobytes().decode().replace('\x00', '')
-
-        with h5py.File(self.filename) as dagmc_file:
-            category_data = dagmc_file['tstt/tags/CATEGORY/values']
-            category_strs = map(decode_str_tag, category_data)
-            n = sum([v == geom_type.capitalize() for v in category_strs])
-
-            # check for presence of an implicit complement in the file and
-            # increment the number of cells if it doesn't exist
-            if geom_type == 'volume':
-                name_data = dagmc_file['tstt/tags/NAME/values']
-                name_strs = map(decode_str_tag, name_data)
-                if not sum(['impl_complement' in n for n in name_strs]):
-                    n += 1
-        return n
-
-    @property
-    def n_cells(self):
-        return self._n_geom_elements('volume')
-
-    @property
-    def n_surfaces(self):
-        return self._n_geom_elements('surface')
-
-    def create_xml_subelement(self, xml_element, memo=None):
-        if memo is None:
-            memo = set()
-
-        if self in memo:
-            return
-
-        memo.add(self)
-
-        # Set xml element values
-        dagmc_element = ET.Element('dagmc_universe')
-        dagmc_element.set('id', str(self.id))
-
-        if self.auto_geom_ids:
-            dagmc_element.set('auto_geom_ids', 'true')
-        if self.auto_mat_ids:
-            dagmc_element.set('auto_mat_ids', 'true')
-        dagmc_element.set('filename', str(self.filename))
-        xml_element.append(dagmc_element)
-
-    def bounding_region(
-            self,
-            bounded_type: str = 'box',
-            boundary_type: str = 'vacuum',
-            starting_id: int = 10000,
-            padding_distance: float = 0.
-        ):
-        """Creates a either a spherical or box shaped bounding region around
-        the DAGMC geometry.
-
-        .. versionadded:: 0.13.1
-
-        Parameters
-        ----------
-        bounded_type : str
-            The type of bounding surface(s) to use when constructing the region.
-            Options include a single spherical surface (sphere) or a rectangle
-            made from six planes (box).
-        boundary_type : str
-            Boundary condition that defines the behavior for particles hitting
-            the surface. Defaults to vacuum boundary condition. Passed into the
-            surface construction.
-        starting_id : int
-            Starting ID of the surface(s) used in the region. For bounded_type
-            'box', the next 5 IDs will also be used. Defaults to 10000 to reduce
-            the chance of an overlap of surface IDs with the DAGMC geometry.
-        padding_distance : float
-            Distance between the bounding region surfaces and the minimal
-            bounding box. Allows for the region to be larger than the DAGMC
-            geometry.
-
-        Returns
-        -------
-        openmc.Region
-            Region instance
-        """
-
-        check_type('boundary type', boundary_type, str)
-        check_value('boundary type', boundary_type, _BOUNDARY_TYPES)
-        check_type('starting surface id', starting_id, Integral)
-        check_type('bounded type', bounded_type, str)
-        check_value('bounded type', bounded_type, ('box', 'sphere'))
-
-        bbox = self.bounding_box.expand(padding_distance, True)
-
-        if bounded_type == 'sphere':
-            radius = np.linalg.norm(bbox.upper_right - bbox.center)
-            bounding_surface = openmc.Sphere(
-                surface_id=starting_id,
-                x0=bbox.center[0],
-                y0=bbox.center[1],
-                z0=bbox.center[2],
-                boundary_type=boundary_type,
-                r=radius,
-            )
-
-            return -bounding_surface
-
-        if bounded_type == 'box':
-            # defines plane surfaces for all six faces of the bounding box
-            lower_x = openmc.XPlane(bbox[0][0], surface_id=starting_id)
-            upper_x = openmc.XPlane(bbox[1][0], surface_id=starting_id+1)
-            lower_y = openmc.YPlane(bbox[0][1], surface_id=starting_id+2)
-            upper_y = openmc.YPlane(bbox[1][1], surface_id=starting_id+3)
-            lower_z = openmc.ZPlane(bbox[0][2], surface_id=starting_id+4)
-            upper_z = openmc.ZPlane(bbox[1][2], surface_id=starting_id+5)
-
-            region = +lower_x & -upper_x & +lower_y & -upper_y & +lower_z & -upper_z
-
-            for surface in region.get_surfaces().values():
-                surface.boundary_type = boundary_type
-
-            return region
-
-    def bounded_universe(self, bounding_cell_id=10000, **kwargs):
-        """Returns an openmc.Universe filled with this DAGMCUniverse and bounded
-        with a cell. Defaults to a box cell with a vacuum surface however this
-        can be changed using the kwargs which are passed directly to
-        DAGMCUniverse.bounding_region().
-
-        Parameters
-        ----------
-        bounding_cell_id : int
-            The cell ID number to use for the bounding cell, defaults to 10000 to reduce
-            the chance of overlapping ID numbers with the DAGMC geometry.
-
-        Returns
-        -------
-        openmc.Universe
-            Universe instance
-        """
-        bounding_cell = openmc.Cell(
-            fill=self, cell_id=bounding_cell_id, region=self.bounding_region(**kwargs))
-        return openmc.Universe(cells=[bounding_cell])
-
-    @classmethod
-    def from_hdf5(cls, group):
-        """Create DAGMC universe from HDF5 group
-
-        Parameters
-        ----------
-        group : h5py.Group
-            Group in HDF5 file
-
-        Returns
-        -------
-        openmc.DAGMCUniverse
-            DAGMCUniverse instance
-
-        """
-        id = int(group.name.split('/')[-1].lstrip('universe '))
-        fname = group['filename'][()].decode()
-        name = group['name'][()].decode() if 'name' in group else None
-
-        out = cls(fname, universe_id=id, name=name)
-
-        out.auto_geom_ids = bool(group.attrs['auto_geom_ids'])
-        out.auto_mat_ids = bool(group.attrs['auto_mat_ids'])
-
-        return out
-
-    @classmethod
-    def from_xml_element(cls, elem):
-        """Generate DAGMC universe from XML element
-
-        Parameters
-        ----------
-        elem : lxml.etree._Element
-            `<dagmc_universe>` element
-
-        Returns
-        -------
-        openmc.DAGMCUniverse
-            DAGMCUniverse instance
-
-        """
-        id = int(get_text(elem, 'id'))
-        fname = get_text(elem, 'filename')
-
-        out = cls(fname, universe_id=id)
-
-        name = get_text(elem, 'name')
-        if name is not None:
-            out.name = name
-
-        out.auto_geom_ids = bool(elem.get('auto_geom_ids'))
-        out.auto_mat_ids = bool(elem.get('auto_mat_ids'))
-
-        return out
-
-    def _partial_deepcopy(self):
-        """Clone all of the openmc.DAGMCUniverse object's attributes except for
-        its cells, as they are copied within the clone function. This should
-        only to be used within the openmc.UniverseBase.clone() context.
-        """
-        clone = openmc.DAGMCUniverse(name=self.name, filename=self.filename)
-        clone.volume = self.volume
-        clone.auto_geom_ids = self.auto_geom_ids
-        clone.auto_mat_ids = self.auto_mat_ids
-        return clone
diff --git a/src/cell.cpp b/src/cell.cpp
index 888766787..d4d28fb70 100644
--- a/src/cell.cpp
+++ b/src/cell.cpp
@@ -252,12 +252,12 @@ void Cell::to_hdf5(hid_t cell_group) const
 // default constructor
 CSGCell::CSGCell()
 {
-  geom_type_ = GeometryType::CSG;
+  geom_type() = GeometryType::CSG;
 }
 
 CSGCell::CSGCell(pugi::xml_node cell_node)
 {
-  geom_type_ = GeometryType::CSG;
+  geom_type() = GeometryType::CSG;
 
   if (check_for_node(cell_node, "id")) {
     id_ = std::stoi(get_node_value(cell_node, "id"));
diff --git a/src/dagmc.cpp b/src/dagmc.cpp
index b79676c36..134e31ecf 100644
--- a/src/dagmc.cpp
+++ b/src/dagmc.cpp
@@ -72,6 +72,23 @@ DAGUniverse::DAGUniverse(pugi::xml_node node)
     adjust_material_ids_ = get_node_value_bool(node, "auto_mat_ids");
   }
 
+  // get material assignment overloading
+  if (check_for_node(node, "material_overrides")) {
+    auto mat_node = node.child("material_overrides");
+    // loop over all subelements (each subelement corresponds to a material)
+    for (pugi::xml_node cell_node : mat_node.children("cell_override")) {
+      // Store assignment reference name
+      int32_t ref_assignment = std::stoi(get_node_value(cell_node, "id"));
+
+      // Get mat name for each assignement instances
+      vector<int32_t> instance_mats =
+        get_node_array<int32_t>(cell_node, "material_ids");
+
+      // Store mat name for each instances
+      material_overrides_.emplace(ref_assignment, instance_mats);
+    }
+  }
+
   initialize();
 }
 
@@ -211,12 +228,13 @@ void DAGUniverse::init_geometry()
     if (mat_str == "graveyard") {
       graveyard = vol_handle;
     }
-
     // material void checks
     if (mat_str == "void" || mat_str == "vacuum" || mat_str == "graveyard") {
       c->material_.push_back(MATERIAL_VOID);
     } else {
-      if (uses_uwuw()) {
+      if (material_overrides_.count(c->id_)) {
+        override_assign_material(c);
+      } else if (uses_uwuw()) {
         uwuw_assign_material(vol_handle, c);
       } else {
         legacy_assign_material(mat_str, c);
@@ -609,6 +627,33 @@ void DAGUniverse::uwuw_assign_material(
   fatal_error("DAGMC was not configured with UWUW.");
 #endif // OPENMC_UWUW
 }
+
+void DAGUniverse::override_assign_material(std::unique_ptr<DAGCell>& c) const
+{
+  // if Cell ID matches an override key, use it to override the material
+  // assignment else if UWUW is used, get the material assignment from the DAGMC
+  // metadata
+  // Notify User that an override is being applied on a DAGMCCell
+  write_message(fmt::format("Applying override for DAGMCCell {}", c->id_), 8);
+
+  if (settings::verbosity >= 10) {
+    auto msg = fmt::format("Assigning DAGMC cell {} material(s) based on "
+                           "override information (see input XML).",
+      c->id_);
+    write_message(msg, 10);
+  }
+
+  // Override the material assignment for each cell instance using the legacy
+  // assignement
+  for (auto mat_id : material_overrides_.at(c->id_)) {
+    if (model::material_map.find(mat_id) == model::material_map.end()) {
+      fatal_error(fmt::format(
+        "Material with ID '{}' not found for DAGMC cell {}", mat_id, c->id_));
+    }
+    c->material_.push_back(mat_id);
+  }
+}
+
 //==============================================================================
 // DAGMC Cell implementation
 //==============================================================================
@@ -616,7 +661,7 @@ void DAGUniverse::uwuw_assign_material(
 DAGCell::DAGCell(std::shared_ptr<moab::DagMC> dag_ptr, int32_t dag_idx)
   : Cell {}, dagmc_ptr_(dag_ptr), dag_index_(dag_idx)
 {
-  geom_type_ = GeometryType::DAG;
+  geom_type() = GeometryType::DAG;
 };
 
 std::pair<double, int32_t> DAGCell::distance(
@@ -719,7 +764,7 @@ BoundingBox DAGCell::bounding_box() const
 DAGSurface::DAGSurface(std::shared_ptr<moab::DagMC> dag_ptr, int32_t dag_idx)
   : Surface {}, dagmc_ptr_(dag_ptr), dag_index_(dag_idx)
 {
-  geom_type_ = GeometryType::DAG;
+  geom_type() = GeometryType::DAG;
 } // empty constructor
 
 moab::EntityHandle DAGSurface::mesh_handle() const
@@ -818,12 +863,61 @@ int32_t next_cell(int32_t surf, int32_t curr_cell, int32_t univ)
   return univp->cell_index(new_vol);
 }
 
+extern "C" int openmc_dagmc_universe_get_cell_ids(
+  int32_t univ_id, int32_t* ids, size_t* n)
+{
+  // make sure the universe id is a DAGMC Universe
+  const auto& univ = model::universes[model::universe_map[univ_id]];
+  if (univ->geom_type() != GeometryType::DAG) {
+    set_errmsg(fmt::format("Universe {} is not a DAGMC Universe", univ_id));
+    return OPENMC_E_INVALID_TYPE;
+  }
+
+  std::vector<int32_t> dag_cell_ids;
+  for (const auto& cell_index : univ->cells_) {
+    const auto& cell = model::cells[cell_index];
+    if (cell->geom_type() == GeometryType::CSG) {
+      set_errmsg(fmt::format("Cell {} is not a DAGMC Cell", cell->id_));
+      return OPENMC_E_INVALID_TYPE;
+    }
+    dag_cell_ids.push_back(cell->id_);
+  }
+  std::copy(dag_cell_ids.begin(), dag_cell_ids.end(), ids);
+  *n = dag_cell_ids.size();
+  return 0;
+}
+
+extern "C" int openmc_dagmc_universe_get_num_cells(int32_t univ_id, size_t* n)
+{
+  // make sure the universe id is a DAGMC Universe
+  const auto& univ = model::universes[model::universe_map[univ_id]];
+  if (univ->geom_type() != GeometryType::DAG) {
+    set_errmsg(fmt::format("Universe {} is not a DAGMC universe", univ_id));
+    return OPENMC_E_INVALID_TYPE;
+  }
+  *n = univ->cells_.size();
+  return 0;
+}
+
 } // namespace openmc
 
 #else
 
 namespace openmc {
 
+extern "C" int openmc_dagmc_universe_get_cell_ids(
+  int32_t univ_id, int32_t* ids, size_t* n)
+{
+  set_errmsg("OpenMC was not configured with DAGMC");
+  return OPENMC_E_UNASSIGNED;
+};
+
+extern "C" int openmc_dagmc_universe_get_num_cells(int32_t univ_id, size_t* n)
+{
+  set_errmsg("OpenMC was not configured with DAGMC");
+  return OPENMC_E_UNASSIGNED;
+};
+
 void read_dagmc_universes(pugi::xml_node node)
 {
   if (check_for_node(node, "dagmc_universe")) {
diff --git a/src/particle.cpp b/src/particle.cpp
index 64c50c943..0ea865014 100644
--- a/src/particle.cpp
+++ b/src/particle.cpp
@@ -533,7 +533,7 @@ void Particle::cross_surface(const Surface& surf)
 
 // if we're crossing a CSG surface, make sure the DAG history is reset
 #ifdef DAGMC
-  if (surf.geom_type_ == GeometryType::CSG)
+  if (surf.geom_type() == GeometryType::CSG)
     history().reset();
 #endif
 
@@ -548,7 +548,7 @@ void Particle::cross_surface(const Surface& surf)
 
 #ifdef DAGMC
   // in DAGMC, we know what the next cell should be
-  if (surf.geom_type_ == GeometryType::DAG) {
+  if (surf.geom_type() == GeometryType::DAG) {
     int32_t i_cell = next_cell(std::abs(surface()), cell_last(n_coord() - 1),
                        lowest_coord().universe) -
                      1;
@@ -668,7 +668,8 @@ void Particle::cross_reflective_bc(const Surface& surf, Direction new_u)
   // the lower universes.
   // (unless we're using a dagmc model, which has exactly one universe)
   n_coord() = 1;
-  if (surf.geom_type_ != GeometryType::DAG && !neighbor_list_find_cell(*this)) {
+  if (surf.geom_type() != GeometryType::DAG &&
+      !neighbor_list_find_cell(*this)) {
     mark_as_lost("Couldn't find particle after reflecting from surface " +
                  std::to_string(surf.id_) + ".");
     return;
diff --git a/src/plot.cpp b/src/plot.cpp
index de7d475e1..85131d67a 100644
--- a/src/plot.cpp
+++ b/src/plot.cpp
@@ -1303,7 +1303,7 @@ void ProjectionPlot::create_output() const
 
             int32_t i_surface = std::abs(p.surface()) - 1;
             if (i_surface > 0 &&
-                model::surfaces[i_surface]->geom_type_ == GeometryType::DAG) {
+                model::surfaces[i_surface]->geom_type() == GeometryType::DAG) {
 #ifdef DAGMC
               int32_t i_cell = next_cell(i_surface,
                 p.cell_last(p.n_coord() - 1), p.lowest_coord().universe);
diff --git a/src/surface.cpp b/src/surface.cpp
index 50ef2a128..dbcaf8498 100644
--- a/src/surface.cpp
+++ b/src/surface.cpp
@@ -165,9 +165,9 @@ void Surface::to_hdf5(hid_t group_id) const
 {
   hid_t surf_group = create_group(group_id, fmt::format("surface {}", id_));
 
-  if (geom_type_ == GeometryType::DAG) {
+  if (geom_type() == GeometryType::DAG) {
     write_string(surf_group, "geom_type", "dagmc", false);
-  } else if (geom_type_ == GeometryType::CSG) {
+  } else if (geom_type() == GeometryType::CSG) {
     write_string(surf_group, "geom_type", "csg", false);
 
     if (bc_) {
@@ -189,11 +189,11 @@ void Surface::to_hdf5(hid_t group_id) const
 
 CSGSurface::CSGSurface() : Surface {}
 {
-  geom_type_ = GeometryType::CSG;
+  geom_type() = GeometryType::CSG;
 };
 CSGSurface::CSGSurface(pugi::xml_node surf_node) : Surface {surf_node}
 {
-  geom_type_ = GeometryType::CSG;
+  geom_type() = GeometryType::CSG;
 };
 
 //==============================================================================
diff --git a/tests/unit_tests/dagmc/test_model.py b/tests/unit_tests/dagmc/test_model.py
new file mode 100644
index 000000000..9fdfbcebc
--- /dev/null
+++ b/tests/unit_tests/dagmc/test_model.py
@@ -0,0 +1,256 @@
+from pathlib import Path
+
+import lxml.etree as ET
+import numpy as np
+import pytest
+import openmc
+from openmc.utility_funcs import change_directory
+
+pytestmark = pytest.mark.skipif(
+    not openmc.lib._dagmc_enabled(),
+    reason="DAGMC CAD geometry is not enabled.")
+
+
+@pytest.fixture()
+def model(request):
+    pitch = 1.26
+
+    mats = {}
+    mats["no-void fuel"] = openmc.Material(1, name="no-void fuel")
+    mats["no-void fuel"].add_nuclide("U235", 0.03)
+    mats["no-void fuel"].add_nuclide("U238", 0.97)
+    mats["no-void fuel"].add_nuclide("O16", 2.0)
+    mats["no-void fuel"].set_density("g/cm3", 10.0)
+
+    mats["41"] = openmc.Material(name="41")
+    mats["41"].add_nuclide("H1", 2.0)
+    mats["41"].add_element("O", 1.0)
+    mats["41"].set_density("g/cm3", 1.0)
+    mats["41"].add_s_alpha_beta("c_H_in_H2O")
+
+    p = Path(request.fspath).parent / "dagmc.h5m"
+
+    daguniv = openmc.DAGMCUniverse(p, auto_geom_ids=True)
+
+    lattice = openmc.RectLattice()
+    lattice.dimension = [2, 2]
+    lattice.lower_left = [-pitch, -pitch]
+    lattice.pitch = [pitch, pitch]
+    lattice.universes = [
+        [daguniv, daguniv],
+        [daguniv, daguniv]]
+
+    box = openmc.model.RectangularParallelepiped(-pitch, pitch, -pitch, pitch, -5, 5)
+
+    root = openmc.Universe(cells=[openmc.Cell(region=-box, fill=lattice)])
+
+    settings = openmc.Settings()
+    settings.batches = 100
+    settings.inactive = 10
+    settings.particles = 1000
+
+    ll, ur = root.bounding_box
+    mat_vol = openmc.VolumeCalculation([mats["no-void fuel"]], 1000000, ll, ur)
+    cell_vol = openmc.VolumeCalculation(list(root.cells.values()), 1000000, ll, ur)
+    settings.volume_calculations = [mat_vol, cell_vol]
+
+    model = openmc.Model()
+    model.materials = openmc.Materials(mats.values())
+    model.geometry = openmc.Geometry(root=root)
+    model.settings = settings
+
+    with change_directory(tmpdir=True):
+        try:
+            model.init_lib()
+            model.sync_dagmc_universes()
+            yield model
+        finally:
+            model.finalize_lib()
+            openmc.reset_auto_ids()
+
+
+def test_dagmc_replace_material_assignment(model):
+    mats = {}
+
+    mats["foo"] = openmc.Material(name="foo")
+    mats["foo"].add_nuclide("H1", 2.0)
+    mats["foo"].add_element("O", 1.0)
+    mats["foo"].set_density("g/cm3", 1.0)
+    mats["foo"].add_s_alpha_beta("c_H_in_H2O")
+
+    for univ in model.geometry.get_all_universes().values():
+        if not isinstance(univ, openmc.DAGMCUniverse):
+            break
+
+        cells_with_41 = []
+        for cell in univ.cells.values():
+            if cell.fill is None:
+                continue
+            if cell.fill.name == "41":
+                cells_with_41.append(cell.id)
+        univ.replace_material_assignment("41", mats["foo"])
+        for cell_id in cells_with_41:
+            assert univ.cells[cell_id] == mats["foo"]
+
+
+def test_dagmc_add_material_override_with_id(model):
+    mats = {}
+    mats["foo"] = openmc.Material(name="foo")
+    mats["foo"].add_nuclide("H1", 2.0)
+    mats["foo"].add_element("O", 1.0)
+    mats["foo"].set_density("g/cm3", 1.0)
+    mats["foo"].add_s_alpha_beta("c_H_in_H2O")
+
+    for univ in model.geometry.get_all_universes().values():
+        if not isinstance(univ, openmc.DAGMCUniverse):
+            break
+
+        cells_with_41 = []
+        for cell in univ.cells.values():
+            if cell.fill is None:
+                continue
+            if cell.fill.name == "41":
+                cells_with_41.append(cell.id)
+                univ.add_material_override(cell.id, mats["foo"])
+        for cell_id in cells_with_41:
+            assert univ.cells[cell_id] == mats["foo"]
+
+
+def test_dagmc_add_material_override_with_cell(model):
+    mats = {}
+    mats["foo"] = openmc.Material(name="foo")
+    mats["foo"].add_nuclide("H1", 2.0)
+    mats["foo"].add_element("O", 1.0)
+    mats["foo"].set_density("g/cm3", 1.0)
+    mats["foo"].add_s_alpha_beta("c_H_in_H2O")
+
+    for univ in model.geometry.get_all_universes().values():
+        if not isinstance(univ, openmc.DAGMCUniverse):
+            break
+
+        cells_with_41 = []
+        for cell in univ.cells.values():
+            if cell.fill is None:
+                continue
+            if cell.fill.name == "41":
+                cells_with_41.append(cell.id)
+                univ.add_material_override(cell, mats["foo"])
+        for cell_id in cells_with_41:
+            assert univ.cells[cell_id] == mats["foo"]
+
+
+def test_model_differentiate_depletable_with_dagmc(model, run_in_tmpdir):
+    model.calculate_volumes()
+
+    # Get the volume of the no-void fuel material before differentiation
+    volume_before = np.sum([m.volume for m in model.materials if m.name == "no-void fuel"])
+
+    # Differentiate the depletable materials
+    model.differentiate_depletable_mats(diff_volume_method="divide equally")
+    # Get the volume of the no-void fuel material after differentiation
+    volume_after = np.sum([m.volume for m in model.materials if "fuel" in m.name])
+    assert np.isclose(volume_before, volume_after)
+    assert len(model.materials) == 4*2 +1
+
+
+def test_model_differentiate_with_dagmc(model):
+    root = model.geometry.root_universe
+    ll, ur = root.bounding_box
+    model.calculate_volumes()
+    # Get the volume of the no-void fuel material before differentiation
+    volume_before = np.sum([m.volume for m in model.materials if m.name == "no-void fuel"])
+
+    # Differentiate all the materials
+    model.differentiate_mats(depletable_only=False)
+
+    # Get the volume of the no-void fuel material after differentiation
+    mat_vol = openmc.VolumeCalculation(model.materials, 1000000, ll, ur)
+    model.settings.volume_calculations = [mat_vol]
+    model.init_lib()  # need to reinitialize the lib after differentiating the materials
+    model.calculate_volumes()
+    volume_after = np.sum([m.volume for m in model.materials if "fuel" in m.name])
+    assert np.isclose(volume_before, volume_after)
+    assert len(model.materials) == 4*2 + 4
+
+
+def test_bad_override_cell_id(model):
+    for univ in model.geometry.get_all_universes().values():
+        if isinstance(univ, openmc.DAGMCUniverse):
+            break
+    with pytest.raises(ValueError, match="Cell ID '1' not found in DAGMC universe"):
+        univ.material_overrides = {1: model.materials[0]}
+
+
+def test_bad_override_type(model):
+    not_a_dag_cell = openmc.Cell()
+    for univ in model.geometry.get_all_universes().values():
+        if isinstance(univ, openmc.DAGMCUniverse):
+            break
+    with pytest.raises(ValueError, match="Unrecognized key type. Must be an integer or openmc.DAGMCCell object"):
+        univ.material_overrides = {not_a_dag_cell: model.materials[0]}
+
+
+def test_bad_replacement_mat_name(model):
+    for univ in model.geometry.get_all_universes().values():
+        if isinstance(univ, openmc.DAGMCUniverse):
+            break
+    with pytest.raises(ValueError, match="No material with name 'not_a_mat' found in the DAGMC universe"):
+        univ.replace_material_assignment("not_a_mat", model.materials[0])
+
+
+def test_dagmc_xml(model):
+    # Set the environment
+    mats = {}
+    mats["no-void fuel"] = openmc.Material(1, name="no-void fuel")
+    mats["no-void fuel"].add_nuclide("U235", 0.03)
+    mats["no-void fuel"].add_nuclide("U238", 0.97)
+    mats["no-void fuel"].add_nuclide("O16", 2.0)
+    mats["no-void fuel"].set_density("g/cm3", 10.0)
+
+    mats[5] = openmc.Material(name="41")
+    mats[5].add_nuclide("H1", 2.0)
+    mats[5].add_element("O", 1.0)
+    mats[5].set_density("g/cm3", 1.0)
+    mats[5].add_s_alpha_beta("c_H_in_H2O")
+
+    for univ in model.geometry.get_all_universes().values():
+        if isinstance(univ, openmc.DAGMCUniverse):
+            dag_univ = univ
+            break
+
+    for k, v in mats.items():
+        if isinstance(k, int):
+            dag_univ.add_material_override(k, v)
+            model.materials.append(v)
+        elif isinstance(k, str):
+            dag_univ.replace_material_assignment(k, v)
+
+    # Tesing the XML subelement generation
+    root = ET.Element('dagmc_universe')
+    dag_univ.create_xml_subelement(root)
+    dagmc_ele = root.find('dagmc_universe')
+
+    assert dagmc_ele.get('id') == str(dag_univ.id)
+    assert dagmc_ele.get('filename') == str(dag_univ.filename)
+    assert dagmc_ele.get('auto_geom_ids') == str(dag_univ.auto_geom_ids).lower()
+
+    override_eles = dagmc_ele.find('material_overrides').findall('cell_override')
+    assert len(override_eles) == 4
+
+    for i, override_ele in enumerate(override_eles):
+        cell_id = override_ele.get('id')
+        assert dag_univ.material_overrides[int(cell_id)][0].id == int(override_ele.find('material_ids').text)
+
+    model.export_to_model_xml()
+
+    xml_model = openmc.Model.from_model_xml()
+
+    for univ in xml_model.geometry.get_all_universes().values():
+        if isinstance(univ, openmc.DAGMCUniverse):
+            xml_dagmc_univ = univ
+            break
+
+    assert xml_dagmc_univ._material_overrides.keys() == dag_univ._material_overrides.keys()
+
+    for xml_mats, model_mats in zip(xml_dagmc_univ._material_overrides.values(), dag_univ._material_overrides.values()):
+        assert all([xml_mat.id == orig_mat.id for xml_mat, orig_mat in zip(xml_mats, model_mats)])

From 8c7200fad3e37f6274fe7ce292acdf77d8f9fafe Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Tue, 7 Jan 2025 17:31:25 -0600
Subject: [PATCH 2200/2654] Enable UWUW library when building with DAGMC in CI
 (#3246)

---
 tools/ci/gha-install.py | 1 +
 1 file changed, 1 insertion(+)

diff --git a/tools/ci/gha-install.py b/tools/ci/gha-install.py
index 282389a8f..d52c4c825 100644
--- a/tools/ci/gha-install.py
+++ b/tools/ci/gha-install.py
@@ -31,6 +31,7 @@ def install(omp=False, mpi=False, phdf5=False, dagmc=False, libmesh=False, ncrys
 
     if dagmc:
         cmake_cmd.append('-DOPENMC_USE_DAGMC=ON')
+        cmake_cmd.append('-DOPENMC_USE_UWUW=ON')
         dagmc_path = os.environ.get('HOME') + '/DAGMC'
         cmake_cmd.append('-DCMAKE_PREFIX_PATH=' + dagmc_path)
 

From 6a5d80efd6a41a968c69702d4b0239f8fc6c6b2b Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Wed, 8 Jan 2025 17:27:09 +0100
Subject: [PATCH 2201/2654] updated docker file to latest DAGMC (#3251)

---
 Dockerfile | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/Dockerfile b/Dockerfile
index 4a94e3c0b..583682ef5 100644
--- a/Dockerfile
+++ b/Dockerfile
@@ -48,7 +48,7 @@ ENV DD_REPO='https://github.com/pshriwise/double-down'
 ENV DD_INSTALL_DIR=$HOME/Double_down
 
 # DAGMC variables
-ENV DAGMC_BRANCH='v3.2.3'
+ENV DAGMC_BRANCH='v3.2.4'
 ENV DAGMC_REPO='https://github.com/svalinn/DAGMC'
 ENV DAGMC_INSTALL_DIR=$HOME/DAGMC/
 

From 10a63bbd27c114386fc1085ee57a36681dd60aba Mon Sep 17 00:00:00 2001
From: Micah Gale <mg@gale.engineer>
Date: Wed, 8 Jan 2025 11:47:25 -0600
Subject: [PATCH 2202/2654] Move to support python 3.13 (#3165)

---
 .github/workflows/ci.yml | 20 ++++++++++----------
 .readthedocs.yaml        |  2 +-
 pyproject.toml           |  4 ++--
 3 files changed, 13 insertions(+), 13 deletions(-)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index 5973c3cd4..c5051b8d0 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -25,7 +25,7 @@ jobs:
     runs-on: ubuntu-22.04
     strategy:
       matrix:
-        python-version: ["3.10"]
+        python-version: ["3.11"]
         mpi: [n, y]
         omp: [n, y]
         dagmc: [n]
@@ -35,34 +35,34 @@ jobs:
         vectfit: [n]
 
         include:
-          - python-version: "3.11"
-            omp: n
-            mpi: n
           - python-version: "3.12"
             omp: n
             mpi: n
+          - python-version: "3.13"
+            omp: n
+            mpi: n
           - dagmc: y
-            python-version: "3.10"
+            python-version: "3.11"
             mpi: y
             omp: y
           - ncrystal: y
-            python-version: "3.10"
+            python-version: "3.11"
             mpi: n
             omp: n
           - libmesh: y
-            python-version: "3.10"
+            python-version: "3.11"
             mpi: y
             omp: y
           - libmesh: y
-            python-version: "3.10"
+            python-version: "3.11"
             mpi: n
             omp: y
           - event: y
-            python-version: "3.10"
+            python-version: "3.11"
             omp: y
             mpi: n
           - vectfit: y
-            python-version: "3.10"
+            python-version: "3.11"
             omp: n
             mpi: y
     name: "Python ${{ matrix.python-version }} (omp=${{ matrix.omp }},
diff --git a/.readthedocs.yaml b/.readthedocs.yaml
index b7b69f9fe..7b69b64b6 100644
--- a/.readthedocs.yaml
+++ b/.readthedocs.yaml
@@ -3,7 +3,7 @@ version: 2
 build:
   os: "ubuntu-20.04"
   tools:
-    python: "3.10"
+    python: "3.12"
 
 sphinx:
   configuration: docs/source/conf.py
diff --git a/pyproject.toml b/pyproject.toml
index d0419d550..e4e8472f1 100644
--- a/pyproject.toml
+++ b/pyproject.toml
@@ -9,7 +9,7 @@ authors = [
 ]
 description = "OpenMC"
 version = "0.15.1-dev"
-requires-python = ">=3.10"
+requires-python = ">=3.11"
 license = {file = "LICENSE"}
 classifiers = [
     "Development Status :: 4 - Beta",
@@ -21,9 +21,9 @@ classifiers = [
     "Topic :: Scientific/Engineering",
     "Programming Language :: C++",
     "Programming Language :: Python :: 3",
-    "Programming Language :: Python :: 3.10",
     "Programming Language :: Python :: 3.11",
     "Programming Language :: Python :: 3.12",
+    "Programming Language :: Python :: 3.13",
 ]
 dependencies = [
     "numpy",

From 4492f9db10f8c8189f72795c14e36e8f32b153b0 Mon Sep 17 00:00:00 2001
From: Andrew Davis <andrew.davis@ukaea.uk>
Date: Wed, 8 Jan 2025 18:16:01 +0000
Subject: [PATCH 2203/2654] Fix type comparison (#3244)

---
 src/weight_windows.cpp | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/src/weight_windows.cpp b/src/weight_windows.cpp
index 68f7550ae..e798a2f7a 100644
--- a/src/weight_windows.cpp
+++ b/src/weight_windows.cpp
@@ -737,7 +737,7 @@ WeightWindowsGenerator::WeightWindowsGenerator(pugi::xml_node node)
   int32_t mesh_idx = model::mesh_map[mesh_id];
   max_realizations_ = std::stoi(get_node_value(node, "max_realizations"));
 
-  int active_batches = settings::n_batches - settings::n_inactive;
+  int32_t active_batches = settings::n_batches - settings::n_inactive;
   if (max_realizations_ > active_batches) {
     auto msg =
       fmt::format("The maximum number of specified tally realizations ({}) is "

From 8ba66f9fe30072b3935b8d1b5282354509031f3e Mon Sep 17 00:00:00 2001
From: Adam Nelson <1037107+nelsonag@users.noreply.github.com>
Date: Wed, 8 Jan 2025 13:58:59 -0600
Subject: [PATCH 2204/2654] Fix for erroneously non-zero tally results of
 photon threshold reactions (#3242)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 src/photon.cpp | 16 ++++++++++------
 1 file changed, 10 insertions(+), 6 deletions(-)

diff --git a/src/photon.cpp b/src/photon.cpp
index 08062a2e9..4b2fb4197 100644
--- a/src/photon.cpp
+++ b/src/photon.cpp
@@ -328,15 +328,19 @@ PhotonInteraction::PhotonInteraction(hid_t group)
   }
 
   // Take logarithm of energies and cross sections since they are log-log
-  // interpolated
+  // interpolated. Note that cross section libraries converted from ACE files
+  // represent zero as exp(-500) to avoid log-log interpolation errors. For
+  // values below exp(-499) we store the log as -900, for which exp(-900)
+  // evaluates to zero.
+  double limit = std::exp(-499.0);
   energy_ = xt::log(energy_);
-  coherent_ = xt::where(coherent_ > 0.0, xt::log(coherent_), -500.0);
-  incoherent_ = xt::where(incoherent_ > 0.0, xt::log(incoherent_), -500.0);
+  coherent_ = xt::where(coherent_ > limit, xt::log(coherent_), -900.0);
+  incoherent_ = xt::where(incoherent_ > limit, xt::log(incoherent_), -900.0);
   photoelectric_total_ = xt::where(
-    photoelectric_total_ > 0.0, xt::log(photoelectric_total_), -500.0);
+    photoelectric_total_ > limit, xt::log(photoelectric_total_), -900.0);
   pair_production_total_ = xt::where(
-    pair_production_total_ > 0.0, xt::log(pair_production_total_), -500.0);
-  heating_ = xt::where(heating_ > 0.0, xt::log(heating_), -500.0);
+    pair_production_total_ > limit, xt::log(pair_production_total_), -900.0);
+  heating_ = xt::where(heating_ > limit, xt::log(heating_), -900.0);
 }
 
 PhotonInteraction::~PhotonInteraction()

From 0d4a85d3a81b74c013fc30435870ea3f7ed4eb41 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 8 Jan 2025 14:00:57 -0600
Subject: [PATCH 2205/2654] Remove top-level import of openmc.lib (#3250)

---
 openmc/model/model.py | 1 -
 1 file changed, 1 deletion(-)

diff --git a/openmc/model/model.py b/openmc/model/model.py
index 5137ea1ab..402d6c061 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -16,7 +16,6 @@ from openmc.dummy_comm import DummyCommunicator
 from openmc.executor import _process_CLI_arguments
 from openmc.checkvalue import check_type, check_value
 from openmc.exceptions import InvalidIDError
-import openmc.lib
 from openmc.utility_funcs import change_directory
 
 

From 1eca46f536382c79884c8069676ef15d356e1e6c Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Wed, 8 Jan 2025 22:15:00 -0600
Subject: [PATCH 2206/2654] Write mesh type as a dataset always (#3253)

---
 docs/source/io_formats/statepoint.rst | 2 +-
 openmc/mesh.py                        | 2 +-
 src/mesh.cpp                          | 7 +------
 3 files changed, 3 insertions(+), 8 deletions(-)

diff --git a/docs/source/io_formats/statepoint.rst b/docs/source/io_formats/statepoint.rst
index 82d20a763..fd00a3e77 100644
--- a/docs/source/io_formats/statepoint.rst
+++ b/docs/source/io_formats/statepoint.rst
@@ -73,9 +73,9 @@ The current version of the statepoint file format is 18.1.
 **/tallies/meshes/mesh <uid>/**
 
 :Attributes: - **id** (*int*) -- ID of the mesh
-             - **type** (*char[]*) -- Type of mesh.
 
 :Datasets: - **name** (*char[]*) -- Name of the mesh.
+           - **type** (*char[]*) -- Type of mesh.
            - **dimension** (*int*) -- Number of mesh cells in each dimension.
            - **Regular Mesh Only:**
               - **lower_left** (*double[]*) -- Coordinates of lower-left corner of
diff --git a/openmc/mesh.py b/openmc/mesh.py
index 0b6f6b84e..e4d83d81d 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -99,7 +99,7 @@ class MeshBase(IDManagerMixin, ABC):
             Instance of a MeshBase subclass
 
         """
-        mesh_type = 'regular' if 'type' not in group.attrs else group.attrs['type'].decode()
+        mesh_type = 'regular' if 'type' not in group.keys() else group['type'][()].decode()
         mesh_id = int(group.name.split('/')[-1].lstrip('mesh '))
         mesh_name = '' if not 'name' in group else group['name'][()].decode()
 
diff --git a/src/mesh.cpp b/src/mesh.cpp
index 4b1878c5a..97bf710ca 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -246,7 +246,7 @@ void Mesh::to_hdf5(hid_t group) const
   hid_t mesh_group = create_group(group, group_name.c_str());
 
   // Write mesh type
-  write_attribute(mesh_group, "type", this->get_mesh_type());
+  write_dataset(mesh_group, "type", this->get_mesh_type());
 
   // Write mesh ID
   write_attribute(mesh_group, "id", id_);
@@ -308,7 +308,6 @@ Position StructuredMesh::sample_element(
 
 UnstructuredMesh::UnstructuredMesh(pugi::xml_node node) : Mesh(node)
 {
-
   // check the mesh type
   if (check_for_node(node, "type")) {
     auto temp = get_node_value(node, "type", true, true);
@@ -970,7 +969,6 @@ std::pair<vector<double>, vector<double>> RegularMesh::plot(
 
 void RegularMesh::to_hdf5_inner(hid_t mesh_group) const
 {
-  write_dataset(mesh_group, "type", "regular");
   write_dataset(mesh_group, "dimension", get_x_shape());
   write_dataset(mesh_group, "lower_left", lower_left_);
   write_dataset(mesh_group, "upper_right", upper_right_);
@@ -1156,7 +1154,6 @@ std::pair<vector<double>, vector<double>> RectilinearMesh::plot(
 
 void RectilinearMesh::to_hdf5_inner(hid_t mesh_group) const
 {
-  write_dataset(mesh_group, "type", "rectilinear");
   write_dataset(mesh_group, "x_grid", grid_[0]);
   write_dataset(mesh_group, "y_grid", grid_[1]);
   write_dataset(mesh_group, "z_grid", grid_[2]);
@@ -1431,7 +1428,6 @@ std::pair<vector<double>, vector<double>> CylindricalMesh::plot(
 
 void CylindricalMesh::to_hdf5_inner(hid_t mesh_group) const
 {
-  write_dataset(mesh_group, "type", "cylindrical");
   write_dataset(mesh_group, "r_grid", grid_[0]);
   write_dataset(mesh_group, "phi_grid", grid_[1]);
   write_dataset(mesh_group, "z_grid", grid_[2]);
@@ -1743,7 +1739,6 @@ std::pair<vector<double>, vector<double>> SphericalMesh::plot(
 
 void SphericalMesh::to_hdf5_inner(hid_t mesh_group) const
 {
-  write_dataset(mesh_group, "type", SphericalMesh::mesh_type);
   write_dataset(mesh_group, "r_grid", grid_[0]);
   write_dataset(mesh_group, "theta_grid", grid_[1]);
   write_dataset(mesh_group, "phi_grid", grid_[2]);

From 7c142a361fc91a8f2fc69a163b314afc92d4452c Mon Sep 17 00:00:00 2001
From: "Joseph F. Specht IV" <102691489+jspecht3@users.noreply.github.com>
Date: Fri, 10 Jan 2025 13:18:03 -0600
Subject: [PATCH 2207/2654] Change `Zernike` documentation in polynomial.py
 (#3258)

---
 openmc/polynomial.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/polynomial.py b/openmc/polynomial.py
index 1259c61ca..341cdff47 100644
--- a/openmc/polynomial.py
+++ b/openmc/polynomial.py
@@ -92,7 +92,7 @@ class Zernike(Polynomial):
     Parameters
     ----------
     coef : Iterable of float
-        A list of coefficients of each term in radial only Zernike polynomials
+        A list of coefficients of each term in Zernike polynomials
     radius : float
         Domain of Zernike polynomials to be applied on. Default is 1.
 

From 51f0e6f35039a61925477033a8eea4b2c871a728 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 10 Jan 2025 15:11:32 -0600
Subject: [PATCH 2208/2654] Add Patrick Shriwise to technical committee (#3255)

---
 docs/source/devguide/contributing.rst | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/docs/source/devguide/contributing.rst b/docs/source/devguide/contributing.rst
index c08b1a362..cda031389 100644
--- a/docs/source/devguide/contributing.rst
+++ b/docs/source/devguide/contributing.rst
@@ -109,7 +109,7 @@ Leadership Team
 The TC consists of the following individuals:
 
 - `Paul Romano <https://github.com/paulromano>`_
-- `Sterling Harper <https://github.com/smharper>`_
+- `Patrick Shriwise <https://github.com/pshriwise>`_
 - `Adam Nelson <https://github.com/nelsonag>`_
 - `Benoit Forget <https://github.com/bforget>`_
 

From c226c783c4e7d6c63a1c84ed5f1ee4a9beaead1c Mon Sep 17 00:00:00 2001
From: Ethan Peterson <ethan.peterson@mit.edu>
Date: Fri, 10 Jan 2025 17:20:00 -0500
Subject: [PATCH 2209/2654] Bug fix for Polygon 'yz' basis (#3259)

---
 openmc/model/surface_composite.py | 6 +++---
 1 file changed, 3 insertions(+), 3 deletions(-)

diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index 1f25b9ca6..c7655694d 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -1252,11 +1252,11 @@ class Polygon(CompositeSurface):
             else:
                 op = operator.neg
                 if basis == 'xy':
-                    surf = openmc.Plane(a=dx, b=dy, d=-c)
+                    surf = openmc.Plane(a=dx, b=dy, c=0.0, d=-c)
                 elif basis == 'yz':
-                    surf = openmc.Plane(b=dx, c=dy, d=-c)
+                    surf = openmc.Plane(a=0.0, b=dx, c=dy, d=-c)
                 elif basis == 'xz':
-                    surf = openmc.Plane(a=dx, c=dy, d=-c)
+                    surf = openmc.Plane(a=dx, b=0.0, c=dy, d=-c)
                 else:
                     y0 = -c/dy
                     r2 = dy**2 / dx**2

From d2edf0ce4e8992155010dd2a2578a0ebbd0a1f90 Mon Sep 17 00:00:00 2001
From: Jan Malec <jan.malec@ijs.si>
Date: Sat, 11 Jan 2025 02:23:35 +0100
Subject: [PATCH 2210/2654] Fix path handling for thermal ACE generation
 (#3171)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/data/njoy.py | 6 +++---
 1 file changed, 3 insertions(+), 3 deletions(-)

diff --git a/openmc/data/njoy.py b/openmc/data/njoy.py
index 1bf44891e..f5ef836f9 100644
--- a/openmc/data/njoy.py
+++ b/openmc/data/njoy.py
@@ -426,7 +426,7 @@ def make_ace(filename, temperatures=None, acer=True, xsdir=None,
 
 
 def make_ace_thermal(filename, filename_thermal, temperatures=None,
-                     ace='ace', xsdir=None, output_dir=None, error=0.001,
+                     ace=None, xsdir=None, output_dir=None, error=0.001,
                      iwt=2, evaluation=None, evaluation_thermal=None,
                      table_name=None, zaids=None, nmix=None, **kwargs):
     """Generate thermal scattering ACE file from ENDF files
@@ -441,7 +441,7 @@ def make_ace_thermal(filename, filename_thermal, temperatures=None,
         Temperatures in Kelvin to produce data at. If omitted, data is produced
         at all temperatures given in the ENDF thermal scattering sublibrary.
     ace : str, optional
-        Path of ACE file to write
+        Path of ACE file to write. Default to ``"ace"``.
     xsdir : str, optional
         Path of xsdir file to write. Defaults to ``"xsdir"`` in the same
         directory as ``ace``
@@ -589,7 +589,7 @@ def make_ace_thermal(filename, filename_thermal, temperatures=None,
     commands += 'stop\n'
     run(commands, tapein, tapeout, **kwargs)
 
-    ace = output_dir / ace
+    ace = (output_dir / "ace") if ace is None else Path(ace)
     xsdir = (ace.parent / "xsdir") if xsdir is None else Path(xsdir)
     with ace.open('w') as ace_file, xsdir.open('w') as xsdir_file:
         # Concatenate ACE and xsdir files together

From cf3f0201a0f8de3eb61d3193f6f6a1995a493dfc Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Sun, 12 Jan 2025 17:50:48 -0600
Subject: [PATCH 2211/2654] Update to a consistent definition of the r2
 parameter for cones (#3254)

Co-authored-by: Matthew Nyberg <mnyberg@wisc.edu>
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/model/surface_composite.py | 45 +++++++++++---------
 openmc/surface.py                 | 71 ++++++++++++++++---------------
 2 files changed, 60 insertions(+), 56 deletions(-)

diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index c7655694d..88433118b 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -729,7 +729,7 @@ class OrthogonalBox(CompositeSurface):
 
 
 class XConeOneSided(CompositeSurface):
-    """One-sided cone parallel the x-axis
+    r"""One-sided cone parallel the x-axis
 
     A one-sided cone is composed of a normal cone surface and a "disambiguation"
     surface that eliminates the ambiguity as to which region of space is
@@ -742,15 +742,16 @@ class XConeOneSided(CompositeSurface):
     Parameters
     ----------
     x0 : float, optional
-        x-coordinate of the apex. Defaults to 0.
+        x-coordinate of the apex in [cm].
     y0 : float, optional
-        y-coordinate of the apex. Defaults to 0.
+        y-coordinate of the apex in [cm].
     z0 : float, optional
-        z-coordinate of the apex. Defaults to 0.
+        z-coordinate of the apex in [cm].
     r2 : float, optional
-        Parameter related to the aperture [:math:`\\rm cm^2`].
-        It can be interpreted as the increase in the radius squared per cm along
-        the cone's axis of revolution.
+        The square of the slope of the cone. It is defined as
+        :math:`\left(\frac{r}{h}\right)^2` for a radius, :math:`r` and an axial
+        distance :math:`h` from the apex. An easy way to define this quantity is
+        to take the square of the radius of the cone (in cm) 1 cm from the apex.
     up : bool
         Whether to select the side of the cone that extends to infinity in the
         positive direction of the coordinate axis (the positive half-space of
@@ -783,7 +784,7 @@ class XConeOneSided(CompositeSurface):
 
 
 class YConeOneSided(CompositeSurface):
-    """One-sided cone parallel the y-axis
+    r"""One-sided cone parallel the y-axis
 
     A one-sided cone is composed of a normal cone surface and a "disambiguation"
     surface that eliminates the ambiguity as to which region of space is
@@ -796,15 +797,16 @@ class YConeOneSided(CompositeSurface):
     Parameters
     ----------
     x0 : float, optional
-        x-coordinate of the apex. Defaults to 0.
+        x-coordinate of the apex in [cm].
     y0 : float, optional
-        y-coordinate of the apex. Defaults to 0.
+        y-coordinate of the apex in [cm].
     z0 : float, optional
-        z-coordinate of the apex. Defaults to 0.
+        z-coordinate of the apex in [cm].
     r2 : float, optional
-        Parameter related to the aperture [:math:`\\rm cm^2`].
-        It can be interpreted as the increase in the radius squared per cm along
-        the cone's axis of revolution.
+        The square of the slope of the cone. It is defined as
+        :math:`\left(\frac{r}{h}\right)^2` for a radius, :math:`r` and an axial
+        distance :math:`h` from the apex. An easy way to define this quantity is
+        to take the square of the radius of the cone (in cm) 1 cm from the apex.
     up : bool
         Whether to select the side of the cone that extends to infinity in the
         positive direction of the coordinate axis (the positive half-space of
@@ -836,7 +838,7 @@ class YConeOneSided(CompositeSurface):
 
 
 class ZConeOneSided(CompositeSurface):
-    """One-sided cone parallel the z-axis
+    r"""One-sided cone parallel the z-axis
 
     A one-sided cone is composed of a normal cone surface and a "disambiguation"
     surface that eliminates the ambiguity as to which region of space is
@@ -849,15 +851,16 @@ class ZConeOneSided(CompositeSurface):
     Parameters
     ----------
     x0 : float, optional
-        x-coordinate of the apex. Defaults to 0.
+        x-coordinate of the apex in [cm].
     y0 : float, optional
-        y-coordinate of the apex. Defaults to 0.
+        y-coordinate of the apex in [cm].
     z0 : float, optional
-        z-coordinate of the apex. Defaults to 0.
+        z-coordinate of the apex in [cm].
     r2 : float, optional
-        Parameter related to the aperture [:math:`\\rm cm^2`].
-        It can be interpreted as the increase in the radius squared per cm along
-        the cone's axis of revolution.
+        The square of the slope of the cone. It is defined as
+        :math:`\left(\frac{r}{h}\right)^2` for a radius, :math:`r` and an axial
+        distance :math:`h` from the apex. An easy way to define this quantity is
+        to take the square of the radius of the cone (in cm) 1 cm from the apex.
     up : bool
         Whether to select the side of the cone that extends to infinity in the
         positive direction of the coordinate axis (the positive half-space of
diff --git a/openmc/surface.py b/openmc/surface.py
index c95025f94..6919952ec 100644
--- a/openmc/surface.py
+++ b/openmc/surface.py
@@ -1753,7 +1753,7 @@ class Sphere(QuadricMixin, Surface):
 
 
 class Cone(QuadricMixin, Surface):
-    """A conical surface parallel to the x-, y-, or z-axis.
+    r"""A conical surface parallel to the x-, y-, or z-axis.
 
     .. Note::
         This creates a double cone, which is two one-sided cones that meet at their apex.
@@ -1763,24 +1763,22 @@ class Cone(QuadricMixin, Surface):
     Parameters
     ----------
     x0 : float, optional
-        x-coordinate of the apex in [cm]. Defaults to 0.
+        x-coordinate of the apex in [cm].
     y0 : float, optional
-        y-coordinate of the apex in [cm]. Defaults to 0.
+        y-coordinate of the apex in [cm].
     z0 : float, optional
-        z-coordinate of the apex in [cm]. Defaults to 0.
+        z-coordinate of the apex in [cm].
     r2 : float, optional
-        Parameter related to the aperture [:math:`\\rm cm^2`].
-        It can be interpreted as the increase in the radius squared per cm along
-        the cone's axis of revolution.
+        The square of the slope of the cone. It is defined as
+        :math:`\left(\frac{r}{h}\right)^2` for a radius, :math:`r` and an axial
+        distance :math:`h` from the apex. An easy way to define this quantity is
+        to take the square of the radius of the cone (in cm) 1 cm from the apex.
     dx : float, optional
         x-component of the vector representing the axis of the cone.
-        Defaults to 0.
     dy : float, optional
         y-component of the vector representing the axis of the cone.
-        Defaults to 0.
     dz : float, optional
         z-component of the vector representing the axis of the cone.
-        Defaults to 1.
     surface_id : int, optional
         Unique identifier for the surface. If not specified, an identifier will
         automatically be assigned.
@@ -1805,7 +1803,7 @@ class Cone(QuadricMixin, Surface):
     z0 : float
         z-coordinate of the apex in [cm]
     r2 : float
-        Parameter related to the aperature [cm^2]
+        Parameter related to the aperture
     dx : float
         x-component of the vector representing the axis of the cone.
     dy : float
@@ -1911,7 +1909,7 @@ class Cone(QuadricMixin, Surface):
 
 
 class XCone(QuadricMixin, Surface):
-    """A cone parallel to the x-axis of the form :math:`(y - y_0)^2 + (z - z_0)^2 =
+    r"""A cone parallel to the x-axis of the form :math:`(y - y_0)^2 + (z - z_0)^2 =
     r^2 (x - x_0)^2`.
 
     .. Note::
@@ -1921,15 +1919,16 @@ class XCone(QuadricMixin, Surface):
     Parameters
     ----------
     x0 : float, optional
-        x-coordinate of the apex in [cm]. Defaults to 0.
+        x-coordinate of the apex in [cm].
     y0 : float, optional
-        y-coordinate of the apex in [cm]. Defaults to 0.
+        y-coordinate of the apex in [cm].
     z0 : float, optional
-        z-coordinate of the apex in [cm]. Defaults to 0.
+        z-coordinate of the apex in [cm].
     r2 : float, optional
-        Parameter related to the aperture [:math:`\\rm cm^2`].
-        It can be interpreted as the increase in the radius squared per cm along
-        the cone's axis of revolution.
+        The square of the slope of the cone. It is defined as
+        :math:`\left(\frac{r}{h}\right)^2` for a radius, :math:`r` and an axial
+        distance :math:`h` from the apex. An easy way to define this quantity is
+        to take the square of the radius of the cone (in cm) 1 cm from the apex.
     boundary_type : {'transmission', 'vacuum', 'reflective', 'white'}, optional
         Boundary condition that defines the behavior for particles hitting the
         surface. Defaults to transmissive boundary condition where particles
@@ -1953,7 +1952,7 @@ class XCone(QuadricMixin, Surface):
     z0 : float
         z-coordinate of the apex in [cm]
     r2 : float
-        Parameter related to the aperature
+        Parameter related to the aperture
     boundary_type : {'transmission', 'vacuum', 'reflective', 'white'}
         Boundary condition that defines the behavior for particles hitting the
         surface.
@@ -2012,7 +2011,7 @@ class XCone(QuadricMixin, Surface):
 
 
 class YCone(QuadricMixin, Surface):
-    """A cone parallel to the y-axis of the form :math:`(x - x_0)^2 + (z - z_0)^2 =
+    r"""A cone parallel to the y-axis of the form :math:`(x - x_0)^2 + (z - z_0)^2 =
     r^2 (y - y_0)^2`.
 
     .. Note::
@@ -2022,15 +2021,16 @@ class YCone(QuadricMixin, Surface):
     Parameters
     ----------
     x0 : float, optional
-        x-coordinate of the apex in [cm]. Defaults to 0.
+        x-coordinate of the apex in [cm].
     y0 : float, optional
-        y-coordinate of the apex in [cm]. Defaults to 0.
+        y-coordinate of the apex in [cm].
     z0 : float, optional
-        z-coordinate of the apex in [cm]. Defaults to 0.
+        z-coordinate of the apex in [cm].
     r2 : float, optional
-        Parameter related to the aperture [:math:`\\rm cm^2`].
-        It can be interpreted as the increase in the radius squared per cm along
-        the cone's axis of revolution.
+        The square of the slope of the cone. It is defined as
+        :math:`\left(\frac{r}{h}\right)^2` for a radius, :math:`r` and an axial
+        distance :math:`h` from the apex. An easy way to define this quantity is
+        to take the square of the radius of the cone (in cm) 1 cm from the apex.
     boundary_type : {'transmission', 'vacuum', 'reflective', 'white'}, optional
         Boundary condition that defines the behavior for particles hitting the
         surface. Defaults to transmissive boundary condition where particles
@@ -2054,7 +2054,7 @@ class YCone(QuadricMixin, Surface):
     z0 : float
         z-coordinate of the apex in [cm]
     r2 : float
-        Parameter related to the aperature
+        Parameter related to the aperture
     boundary_type : {'transmission', 'vacuum', 'reflective', 'white'}
         Boundary condition that defines the behavior for particles hitting the
         surface.
@@ -2113,7 +2113,7 @@ class YCone(QuadricMixin, Surface):
 
 
 class ZCone(QuadricMixin, Surface):
-    """A cone parallel to the z-axis of the form :math:`(x - x_0)^2 + (y - y_0)^2 =
+    r"""A cone parallel to the z-axis of the form :math:`(x - x_0)^2 + (y - y_0)^2 =
     r^2 (z - z_0)^2`.
 
     .. Note::
@@ -2123,15 +2123,16 @@ class ZCone(QuadricMixin, Surface):
     Parameters
     ----------
     x0 : float, optional
-        x-coordinate of the apex in [cm]. Defaults to 0.
+        x-coordinate of the apex in [cm].
     y0 : float, optional
-        y-coordinate of the apex in [cm]. Defaults to 0.
+        y-coordinate of the apex in [cm].
     z0 : float, optional
-        z-coordinate of the apex in [cm]. Defaults to 0.
+        z-coordinate of the apex in [cm].
     r2 : float, optional
-        Parameter related to the aperature [cm^2].
-        This is the square of the radius of the cone 1 cm from.
-        This can also be treated as the square of the slope of the cone relative to its axis.
+        The square of the slope of the cone. It is defined as
+        :math:`\left(\frac{r}{h}\right)^2` for a radius, :math:`r` and an axial
+        distance :math:`h` from the apex. An easy way to define this quantity is
+        to take the square of the radius of the cone (in cm) 1 cm from the apex.
     boundary_type : {'transmission', 'vacuum', 'reflective', 'white'}, optional
         Boundary condition that defines the behavior for particles hitting the
         surface. Defaults to transmissive boundary condition where particles
@@ -2155,7 +2156,7 @@ class ZCone(QuadricMixin, Surface):
     z0 : float
         z-coordinate of the apex in [cm]
     r2 : float
-        Parameter related to the aperature
+        Parameter related to the aperture.
     boundary_type : {'transmission', 'vacuum', 'reflective', 'white'}
         Boundary condition that defines the behavior for particles hitting the
         surface.

From d39a4140114704f064cb994467049e8b1e9bf203 Mon Sep 17 00:00:00 2001
From: azimG <azimgivron@gmail.com>
Date: Mon, 13 Jan 2025 07:19:07 +0100
Subject: [PATCH 2212/2654] Set Model attributes only if needed (#3209)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/model/model.py | 21 +++++----------------
 1 file changed, 5 insertions(+), 16 deletions(-)

diff --git a/openmc/model/model.py b/openmc/model/model.py
index 402d6c061..1c261061a 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -64,22 +64,11 @@ class Model:
 
     def __init__(self, geometry=None, materials=None, settings=None,
                  tallies=None, plots=None):
-        self.geometry = openmc.Geometry()
-        self.materials = openmc.Materials()
-        self.settings = openmc.Settings()
-        self.tallies = openmc.Tallies()
-        self.plots = openmc.Plots()
-
-        if geometry is not None:
-            self.geometry = geometry
-        if materials is not None:
-            self.materials = materials
-        if settings is not None:
-            self.settings = settings
-        if tallies is not None:
-            self.tallies = tallies
-        if plots is not None:
-            self.plots = plots
+        self.geometry = openmc.Geometry() if geometry is None else geometry
+        self.materials = openmc.Materials() if materials is None else materials
+        self.settings = openmc.Settings() if settings is None else settings
+        self.tallies = openmc.Tallies() if tallies is None else tallies
+        self.plots = openmc.Plots() if plots is None else plots
 
     @property
     def geometry(self) -> openmc.Geometry | None:

From 549cc0973c9002da86c91564b2951a1c3f5c2d4b Mon Sep 17 00:00:00 2001
From: Adam Nelson <1037107+nelsonag@users.noreply.github.com>
Date: Tue, 14 Jan 2025 09:51:47 -0600
Subject: [PATCH 2213/2654] Enable the LegendreFilter filter to be used in
 photon tallies for orders greater than P0. (#3245)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 src/physics.cpp | 14 +++++++-------
 1 file changed, 7 insertions(+), 7 deletions(-)

diff --git a/src/physics.cpp b/src/physics.cpp
index 69e74f2ea..34dc4ce1c 100644
--- a/src/physics.cpp
+++ b/src/physics.cpp
@@ -293,8 +293,8 @@ void sample_photon_reaction(Particle& p)
   // Coherent (Rayleigh) scattering
   prob += micro.coherent;
   if (prob > cutoff) {
-    double mu = element.rayleigh_scatter(alpha, p.current_seed());
-    p.u() = rotate_angle(p.u(), mu, nullptr, p.current_seed());
+    p.mu() = element.rayleigh_scatter(alpha, p.current_seed());
+    p.u() = rotate_angle(p.u(), p.mu(), nullptr, p.current_seed());
     p.event() = TallyEvent::SCATTER;
     p.event_mt() = COHERENT;
     return;
@@ -303,10 +303,10 @@ void sample_photon_reaction(Particle& p)
   // Incoherent (Compton) scattering
   prob += micro.incoherent;
   if (prob > cutoff) {
-    double alpha_out, mu;
+    double alpha_out;
     int i_shell;
     element.compton_scatter(
-      alpha, true, &alpha_out, &mu, &i_shell, p.current_seed());
+      alpha, true, &alpha_out, &p.mu(), &i_shell, p.current_seed());
 
     // Determine binding energy of shell. The binding energy is 0.0 if
     // doppler broadening is not used.
@@ -322,9 +322,9 @@ void sample_photon_reaction(Particle& p)
     double E_electron = (alpha - alpha_out) * MASS_ELECTRON_EV - e_b;
     int electron = static_cast<int>(ParticleType::electron);
     if (E_electron >= settings::energy_cutoff[electron]) {
-      double mu_electron = (alpha - alpha_out * mu) /
+      double mu_electron = (alpha - alpha_out * p.mu()) /
                            std::sqrt(alpha * alpha + alpha_out * alpha_out -
-                                     2.0 * alpha * alpha_out * mu);
+                                     2.0 * alpha * alpha_out * p.mu());
       Direction u = rotate_angle(p.u(), mu_electron, &phi, p.current_seed());
       p.create_secondary(p.wgt(), u, E_electron, ParticleType::electron);
     }
@@ -338,7 +338,7 @@ void sample_photon_reaction(Particle& p)
 
     phi += PI;
     p.E() = alpha_out * MASS_ELECTRON_EV;
-    p.u() = rotate_angle(p.u(), mu, &phi, p.current_seed());
+    p.u() = rotate_angle(p.u(), p.mu(), &phi, p.current_seed());
     p.event() = TallyEvent::SCATTER;
     p.event_mt() = INCOHERENT;
     return;

From 6d731934f4e0b62c3be6094c283a19730d8ce08f Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 15 Jan 2025 06:35:37 -0600
Subject: [PATCH 2214/2654] Fix bug in WeightWindowGenerator for empty energy
 bounds (#3263)

---
 openmc/weight_windows.py | 5 ++++-
 1 file changed, 4 insertions(+), 1 deletion(-)

diff --git a/openmc/weight_windows.py b/openmc/weight_windows.py
index 5df9f71dc..1ddbfe10f 100644
--- a/openmc/weight_windows.py
+++ b/openmc/weight_windows.py
@@ -897,7 +897,10 @@ class WeightWindowGenerator:
         mesh_id = int(get_text(elem, 'mesh'))
         mesh = meshes[mesh_id]
 
-        energy_bounds = [float(x) for x in get_text(elem, 'energy_bounds').split()]
+        if (energy_bounds := get_text(elem, 'energy_bounds')) is not None:
+            energy_bounds = [float(x) for x in energy_bounds.split()]
+        else:
+            energy_bounds = None
         particle_type = get_text(elem, 'particle_type')
 
         wwg = cls(mesh, energy_bounds, particle_type)

From 32662b409a7780a9cf75732acf4e049a6ed6954b Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 16 Jan 2025 09:36:13 -0600
Subject: [PATCH 2215/2654] Add constant for invalid surface tokens. (#3260)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 include/openmc/cell.h            |  1 -
 include/openmc/constants.h       |  4 ++++
 include/openmc/particle_data.h   | 22 +++++++++++++++++-----
 src/boundary_condition.cpp       |  6 ++----
 src/dagmc.cpp                    |  2 +-
 src/geometry.cpp                 |  8 ++++----
 src/output.cpp                   |  4 ++--
 src/particle.cpp                 | 12 ++++++------
 src/plot.cpp                     |  6 +++---
 src/tallies/filter_musurface.cpp |  2 +-
 src/tallies/filter_surface.cpp   |  2 +-
 11 files changed, 41 insertions(+), 28 deletions(-)

diff --git a/include/openmc/cell.h b/include/openmc/cell.h
index 032475ce9..d01020f8e 100644
--- a/include/openmc/cell.h
+++ b/include/openmc/cell.h
@@ -29,7 +29,6 @@ namespace openmc {
 
 enum class Fill { MATERIAL, UNIVERSE, LATTICE };
 
-// TODO: Convert to enum
 constexpr int32_t OP_LEFT_PAREN {std::numeric_limits<int32_t>::max()};
 constexpr int32_t OP_RIGHT_PAREN {std::numeric_limits<int32_t>::max() - 1};
 constexpr int32_t OP_COMPLEMENT {std::numeric_limits<int32_t>::max() - 2};
diff --git a/include/openmc/constants.h b/include/openmc/constants.h
index 605ae1839..a83a4a07d 100644
--- a/include/openmc/constants.h
+++ b/include/openmc/constants.h
@@ -350,6 +350,10 @@ enum class RandomRaySourceShape { FLAT, LINEAR, LINEAR_XY };
 
 enum class GeometryType { CSG, DAG };
 
+// a surface token cannot be zero due to the unsigned nature of zero for integer
+// representations. This value represents no surface.
+constexpr int32_t SURFACE_NONE {0};
+
 } // namespace openmc
 
 #endif // OPENMC_CONSTANTS_H
diff --git a/include/openmc/particle_data.h b/include/openmc/particle_data.h
index 164148cce..66137c5f6 100644
--- a/include/openmc/particle_data.h
+++ b/include/openmc/particle_data.h
@@ -185,10 +185,14 @@ struct CacheDataMG {
 
 struct BoundaryInfo {
   double distance {INFINITY}; //!< distance to nearest boundary
-  int surface_index {0}; //!< if boundary is surface, index in surfaces vector
-  int coord_level;       //!< coordinate level after crossing boundary
+  int surface {
+    SURFACE_NONE}; //!< surface token, non-zero if boundary is surface
+  int coord_level; //!< coordinate level after crossing boundary
   array<int, 3>
     lattice_translation {}; //!< which way lattice indices will change
+
+  // TODO: off-by-one
+  int surface_index() const { return std::abs(surface) - 1; }
 };
 
 /*
@@ -226,7 +230,7 @@ public:
   void init_from_r_u(Position r_a, Direction u_a)
   {
     clear();
-    surface() = 0;
+    surface() = SURFACE_NONE;
     material() = C_NONE;
     r() = r_a;
     u() = u_a;
@@ -296,10 +300,17 @@ public:
   Direction& u_local() { return coord_[n_coord_ - 1].u; }
   const Direction& u_local() const { return coord_[n_coord_ - 1].u; }
 
-  // Surface that the particle is on
+  // Surface token for the surface that the particle is currently on
   int& surface() { return surface_; }
   const int& surface() const { return surface_; }
 
+  // Surface index based on the current value of the surface_ attribute
+  int surface_index() const
+  {
+    // TODO: off-by-one
+    return std::abs(surface_) - 1;
+  }
+
   // Boundary information
   BoundaryInfo& boundary() { return boundary_; }
 
@@ -337,7 +348,8 @@ private:
   Position r_last_;         //!< previous coordinates
   Direction u_last_;        //!< previous direction coordinates
 
-  int surface_ {0}; //!< index for surface particle is on
+  int surface_ {
+    SURFACE_NONE}; //!< surface token for surface the particle is currently on
 
   BoundaryInfo boundary_; //!< Info about the next intersection
 
diff --git a/src/boundary_condition.cpp b/src/boundary_condition.cpp
index b58054dce..7216ac896 100644
--- a/src/boundary_condition.cpp
+++ b/src/boundary_condition.cpp
@@ -129,8 +129,7 @@ TranslationalPeriodicBC::TranslationalPeriodicBC(int i_surf, int j_surf)
 void TranslationalPeriodicBC::handle_particle(
   Particle& p, const Surface& surf) const
 {
-  // TODO: off-by-one on surface indices throughout this function.
-  int i_particle_surf = std::abs(p.surface()) - 1;
+  int i_particle_surf = p.surface_index();
 
   // Figure out which of the two BC surfaces were struck then find the
   // particle's new location and surface.
@@ -255,8 +254,7 @@ RotationalPeriodicBC::RotationalPeriodicBC(int i_surf, int j_surf)
 void RotationalPeriodicBC::handle_particle(
   Particle& p, const Surface& surf) const
 {
-  // TODO: off-by-one on surface indices throughout this function.
-  int i_particle_surf = std::abs(p.surface()) - 1;
+  int i_particle_surf = p.surface_index();
 
   // Figure out which of the two BC surfaces were struck to figure out if a
   // forward or backward rotation is required.  Specify the other surface as
diff --git a/src/dagmc.cpp b/src/dagmc.cpp
index 134e31ecf..94c220850 100644
--- a/src/dagmc.cpp
+++ b/src/dagmc.cpp
@@ -847,7 +847,7 @@ void check_dagmc_root_univ()
 
 int32_t next_cell(int32_t surf, int32_t curr_cell, int32_t univ)
 {
-  auto surfp = dynamic_cast<DAGSurface*>(model::surfaces[surf - 1].get());
+  auto surfp = dynamic_cast<DAGSurface*>(model::surfaces[surf].get());
   auto cellp = dynamic_cast<DAGCell*>(model::cells[curr_cell].get());
   auto univp = static_cast<DAGUniverse*>(model::universes[univ].get());
 
diff --git a/src/geometry.cpp b/src/geometry.cpp
index 445b19faa..9e975c00d 100644
--- a/src/geometry.cpp
+++ b/src/geometry.cpp
@@ -421,15 +421,15 @@ BoundaryInfo distance_to_boundary(GeometryState& p)
         // have to explicitly check which half-space the particle would be
         // traveling into if the surface is crossed
         if (c.is_simple() || d == INFTY) {
-          info.surface_index = level_surf_cross;
+          info.surface = level_surf_cross;
         } else {
           Position r_hit = r + d_surf * u;
           Surface& surf {*model::surfaces[std::abs(level_surf_cross) - 1]};
           Direction norm = surf.normal(r_hit);
           if (u.dot(norm) > 0) {
-            info.surface_index = std::abs(level_surf_cross);
+            info.surface = std::abs(level_surf_cross);
           } else {
-            info.surface_index = -std::abs(level_surf_cross);
+            info.surface = -std::abs(level_surf_cross);
           }
         }
 
@@ -441,7 +441,7 @@ BoundaryInfo distance_to_boundary(GeometryState& p)
     } else {
       if (d == INFINITY || (d - d_lat) / d >= FP_REL_PRECISION) {
         d = d_lat;
-        info.surface_index = 0;
+        info.surface = SURFACE_NONE;
         info.lattice_translation = level_lat_trans;
         info.coord_level = i + 1;
       }
diff --git a/src/output.cpp b/src/output.cpp
index a430fe9a6..8494450c4 100644
--- a/src/output.cpp
+++ b/src/output.cpp
@@ -200,9 +200,9 @@ void print_particle(Particle& p)
   }
 
   // Display miscellaneous info.
-  if (p.surface() != 0) {
+  if (p.surface() != SURFACE_NONE) {
     // Surfaces identifiers are >= 1, but indices are >= 0 so we need -1
-    const Surface& surf {*model::surfaces[std::abs(p.surface()) - 1]};
+    const Surface& surf {*model::surfaces[p.surface_index()]};
     fmt::print("  Surface = {}\n", (p.surface() > 0) ? surf.id_ : -surf.id_);
   }
   fmt::print("  Weight = {}\n", p.wgt());
diff --git a/src/particle.cpp b/src/particle.cpp
index 0ea865014..65e8065fd 100644
--- a/src/particle.cpp
+++ b/src/particle.cpp
@@ -108,7 +108,7 @@ void Particle::from_source(const SourceSite* src)
 {
   // Reset some attributes
   clear();
-  surface() = 0;
+  surface() = SURFACE_NONE;
   cell_born() = C_NONE;
   material() = C_NONE;
   n_collision() = 0;
@@ -277,7 +277,7 @@ void Particle::event_cross_surface()
   n_coord_last() = n_coord();
 
   // Set surface that particle is on and adjust coordinate levels
-  surface() = boundary().surface_index;
+  surface() = boundary().surface;
   n_coord() = boundary().coord_level;
 
   if (boundary().lattice_translation[0] != 0 ||
@@ -291,7 +291,7 @@ void Particle::event_cross_surface()
   } else {
     // Particle crosses surface
     // TODO: off-by-one
-    const auto& surf {model::surfaces[std::abs(surface()) - 1].get()};
+    const auto& surf {model::surfaces[surface_index()].get()};
     // If BC, add particle to surface source before crossing surface
     if (surf->surf_source_ && surf->bc_) {
       add_surf_source_to_bank(*this, *surf);
@@ -328,7 +328,7 @@ void Particle::event_collide()
     score_surface_tally(*this, model::active_meshsurf_tallies);
 
   // Clear surface component
-  surface() = 0;
+  surface() = SURFACE_NONE;
 
   if (settings::run_CE) {
     collision(*this);
@@ -549,7 +549,7 @@ void Particle::cross_surface(const Surface& surf)
 #ifdef DAGMC
   // in DAGMC, we know what the next cell should be
   if (surf.geom_type() == GeometryType::DAG) {
-    int32_t i_cell = next_cell(std::abs(surface()), cell_last(n_coord() - 1),
+    int32_t i_cell = next_cell(surface_index(), cell_last(n_coord() - 1),
                        lowest_coord().universe) -
                      1;
     // save material and temp
@@ -587,7 +587,7 @@ void Particle::cross_surface(const Surface& surf)
     // the particle is really traveling tangent to a surface, if we move it
     // forward a tiny bit it should fix the problem.
 
-    surface() = 0;
+    surface() = SURFACE_NONE;
     n_coord() = 1;
     r() += TINY_BIT * u();
 
diff --git a/src/plot.cpp b/src/plot.cpp
index 85131d67a..b36ed6f5d 100644
--- a/src/plot.cpp
+++ b/src/plot.cpp
@@ -1301,7 +1301,7 @@ void ProjectionPlot::create_output() const
           while (intersection_found) {
             bool inside_cell = false;
 
-            int32_t i_surface = std::abs(p.surface()) - 1;
+            int32_t i_surface = p.surface_index();
             if (i_surface > 0 &&
                 model::surfaces[i_surface]->geom_type() == GeometryType::DAG) {
 #ifdef DAGMC
@@ -1334,13 +1334,13 @@ void ProjectionPlot::create_output() const
               this_line_segments[tid][horiz].emplace_back(
                 color_by_ == PlotColorBy::mats ? p.material()
                                                : p.lowest_coord().cell,
-                dist.distance, std::abs(dist.surface_index));
+                dist.distance, std::abs(dist.surface));
 
               // Advance particle
               for (int lev = 0; lev < p.n_coord(); ++lev) {
                 p.coord(lev).r += dist.distance * p.coord(lev).u;
               }
-              p.surface() = dist.surface_index;
+              p.surface() = dist.surface;
               p.n_coord_last() = p.n_coord();
               p.n_coord() = dist.coord_level;
               if (dist.lattice_translation[0] != 0 ||
diff --git a/src/tallies/filter_musurface.cpp b/src/tallies/filter_musurface.cpp
index 58fe39b91..340149d4c 100644
--- a/src/tallies/filter_musurface.cpp
+++ b/src/tallies/filter_musurface.cpp
@@ -12,7 +12,7 @@ void MuSurfaceFilter::get_all_bins(
   const Particle& p, TallyEstimator estimator, FilterMatch& match) const
 {
   // Get surface normal (and make sure it is a unit vector)
-  const auto surf {model::surfaces[std::abs(p.surface()) - 1].get()};
+  const auto surf {model::surfaces[p.surface_index()].get()};
   auto n = surf->normal(p.r());
   n /= n.norm();
 
diff --git a/src/tallies/filter_surface.cpp b/src/tallies/filter_surface.cpp
index a84d17728..1fbf8d44e 100644
--- a/src/tallies/filter_surface.cpp
+++ b/src/tallies/filter_surface.cpp
@@ -47,7 +47,7 @@ void SurfaceFilter::set_surfaces(gsl::span<int32_t> surfaces)
 void SurfaceFilter::get_all_bins(
   const Particle& p, TallyEstimator estimator, FilterMatch& match) const
 {
-  auto search = map_.find(std::abs(p.surface()) - 1);
+  auto search = map_.find(p.surface_index());
   if (search != map_.end()) {
     match.bins_.push_back(search->second);
     if (p.surface() < 0) {

From bd874f1b3ebf0e75851da750dd179593a0f7e7f0 Mon Sep 17 00:00:00 2001
From: Joshua Einstein-Curtis <33426885+jeinstei@users.noreply.github.com>
Date: Thu, 16 Jan 2025 09:38:19 -0600
Subject: [PATCH 2216/2654] Update plots.py for PathLike to string handling
 error (#3261)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/plots.py                | 3 ++-
 tests/unit_tests/test_plots.py | 2 +-
 2 files changed, 3 insertions(+), 2 deletions(-)

diff --git a/openmc/plots.py b/openmc/plots.py
index 7532d9d5c..2bb3ef65f 100644
--- a/openmc/plots.py
+++ b/openmc/plots.py
@@ -250,9 +250,10 @@ def voxel_to_vtk(voxel_file: PathLike, output: PathLike = 'plot.vti'):
         writer.SetInputData(grid)
     else:
         writer.SetInput(grid)
+    output = str(output)
     if not output.endswith(".vti"):
         output += ".vti"
-    writer.SetFileName(str(output))
+    writer.SetFileName(output)
     writer.Write()
 
     return output
diff --git a/tests/unit_tests/test_plots.py b/tests/unit_tests/test_plots.py
index a1e15016a..4efc12c93 100644
--- a/tests/unit_tests/test_plots.py
+++ b/tests/unit_tests/test_plots.py
@@ -90,7 +90,7 @@ def test_voxel_plot(run_in_tmpdir):
     assert Path('test_voxel_plot.vti').is_file()
 
     vox_plot.filename = 'h5_voxel_plot'
-    vox_plot.to_vtk('another_test_voxel_plot.vti')
+    vox_plot.to_vtk(Path('another_test_voxel_plot.vti'))
 
     assert Path('h5_voxel_plot.h5').is_file()
     assert Path('another_test_voxel_plot.vti').is_file()

From 3bf1486f4980dd520810ad33e0aeea5d14dd6a87 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Mon, 20 Jan 2025 07:18:50 -0600
Subject: [PATCH 2217/2654] Fix bug in Surface.normalize (#3270)

---
 openmc/surface.py                |  2 +-
 tests/unit_tests/test_surface.py | 13 +++++++++++++
 2 files changed, 14 insertions(+), 1 deletion(-)

diff --git a/openmc/surface.py b/openmc/surface.py
index 6919952ec..840c3125d 100644
--- a/openmc/surface.py
+++ b/openmc/surface.py
@@ -309,7 +309,7 @@ class Surface(IDManagerMixin, ABC):
             coeffs = self._get_base_coeffs()
         coeffs = np.asarray(coeffs)
         nonzeros = ~np.isclose(coeffs, 0., rtol=0., atol=self._atol)
-        norm_factor = np.abs(coeffs[nonzeros][0])
+        norm_factor = coeffs[nonzeros][0]
         return tuple([c/norm_factor for c in coeffs])
 
     def is_equal(self, other):
diff --git a/tests/unit_tests/test_surface.py b/tests/unit_tests/test_surface.py
index 12cd8c9d2..e9560223d 100644
--- a/tests/unit_tests/test_surface.py
+++ b/tests/unit_tests/test_surface.py
@@ -753,3 +753,16 @@ def test_ztorus():
     assert isinstance(sr, openmc.YTorus)
     sr = s.rotate((0., 90., 0.))
     assert isinstance(sr, openmc.XTorus)
+
+
+def test_normalize():
+    """Test that equivalent planes give same normalized coefficients"""
+    p1 = openmc.Plane(a=0.0, b=1.0, c=0.0, d=1.0)
+    p2 = openmc.Plane(a=0.0, b=2.0, c=0.0, d=2.0)
+    assert p1.normalize() == p2.normalize()
+
+    p2 = openmc.Plane(a=0.0, b=-1.0, c=0.0, d=-1.0)
+    assert p1.normalize() == p2.normalize()
+
+    p2 = openmc.YPlane(1.0)
+    assert p1.normalize() == p2.normalize()

From 9170bf34ad4b0bdc93c433a8b77263c52515b663 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Mon, 20 Jan 2025 07:51:13 -0600
Subject: [PATCH 2218/2654] Update recognized thermal scattering materials for
 ENDF/B-VIII.1 (#3267)

---
 openmc/data/njoy.py    | 67 +++++++++++++++++++++++++++++++
 openmc/data/thermal.py | 89 ++++++++++++++++++++++++++++++++++++------
 2 files changed, 145 insertions(+), 11 deletions(-)

diff --git a/openmc/data/njoy.py b/openmc/data/njoy.py
index f5ef836f9..e025cff0d 100644
--- a/openmc/data/njoy.py
+++ b/openmc/data/njoy.py
@@ -18,21 +18,45 @@ _THERMAL_DATA = {
     'c_Al27': ThermalTuple('al27', [13027], 1),
     'c_Al_in_Al2O3': ThermalTuple('asap00', [13027], 1),
     'c_Be': ThermalTuple('be', [4009], 1),
+    'c_Be_distinct': ThermalTuple('besd', [4009], 1),
     'c_Be_in_BeO': ThermalTuple('bebeo', [4009], 1),
     'c_Be_in_Be2C': ThermalTuple('bebe2c', [4009], 1),
+    'c_Be_in_BeF2': ThermalTuple('bebef2', [4009], 1),
     'c_Be_in_FLiBe': ThermalTuple('beflib', [4009], 1),
     'c_C6H6': ThermalTuple('benz', [1001, 6000, 6012], 2),
+    'c_C_in_Be2C': ThermalTuple('cbe2c', [6000, 6012, 6013], 1),
+    'c_C_in_C5O2H8': ThermalTuple('clucit', [6000, 6012, 6013], 1),
+    'c_C_in_C8H8': ThermalTuple('cc8h8', [6000, 6012, 6013], 1),
+    'c_C_in_CF2': ThermalTuple('ccf2', [6000, 6012, 6013], 1),
     'c_C_in_SiC': ThermalTuple('csic', [6000, 6012, 6013], 1),
+    'c_C_in_UC_100p': ThermalTuple('cuc100', [6000, 6012, 6013], 1),
+    'c_C_in_UC_10p': ThermalTuple('cuc10', [6000, 6012, 6013], 1),
+    'c_C_in_UC_5p': ThermalTuple('cuc5', [6000, 6012, 6013], 1),
+    'c_C_in_UC': ThermalTuple('cinuc', [6000, 6012, 6013], 1),
+    'c_C_in_UC_HALEU': ThermalTuple('cuchal', [6000, 6012, 6013], 1),
+    'c_C_in_UC_HEU': ThermalTuple('cucheu', [6000, 6012, 6013], 1),
+    'c_C_in_ZrC': ThermalTuple('czrc', [6000, 6012, 6013], 1),
     'c_Ca_in_CaH2': ThermalTuple('cacah2', [20040, 20042, 20043, 20044, 20046, 20048], 1),
+    'c_D_in_7LiD': ThermalTuple('dlid', [1002], 1),
     'c_D_in_D2O': ThermalTuple('dd2o', [1002], 1),
     'c_D_in_D2O_solid': ThermalTuple('dice', [1002], 1),
+    'c_F_in_Be2': ThermalTuple('fbef2', [9019], 1),
+    'c_F_in_CF2': ThermalTuple('fcf2', [9019], 1),
     'c_F_in_FLiBe': ThermalTuple('fflibe', [9019], 1),
+    'c_F_in_HF': ThermalTuple('f_hf', [9019], 1),
+    'c_F_in_MgF2': ThermalTuple('fmgf2', [9019], 1),
     'c_Fe56': ThermalTuple('fe56', [26056], 1),
     'c_Graphite': ThermalTuple('graph', [6000, 6012, 6013], 1),
     'c_Graphite_10p': ThermalTuple('grph10', [6000, 6012, 6013], 1),
+    'c_Graphite_20p': ThermalTuple('grph20', [6000, 6012, 6013], 1),
     'c_Graphite_30p': ThermalTuple('grph30', [6000, 6012, 6013], 1),
+    'c_Graphite_distinct': ThermalTuple('grphsd', [6000, 6012, 6013], 1),
+    'c_H_in_7LiH': ThermalTuple('hlih', [1001], 1),
     'c_H_in_C5O2H8': ThermalTuple('lucite', [1001], 1),
+    'c_H_in_C8H8': ThermalTuple('hc8h8', [1001], 1),
     'c_H_in_CaH2': ThermalTuple('hcah2', [1001], 1),
+    'c_H1_in_CaH2': ThermalTuple('h1cah2', [1001], 1),
+    'c_H2_in_CaH2': ThermalTuple('h2cah2', [1001], 1),
     'c_H_in_CH2': ThermalTuple('hch2', [1001], 1),
     'c_H_in_CH4_liquid': ThermalTuple('lch4', [1001], 1),
     'c_H_in_CH4_solid': ThermalTuple('sch4', [1001], 1),
@@ -49,24 +73,67 @@ _THERMAL_DATA = {
     'c_H_in_ZrH2': ThermalTuple('hzrh2', [1001], 1),
     'c_H_in_ZrHx': ThermalTuple('hzrhx', [1001], 1),
     'c_Li_in_FLiBe': ThermalTuple('liflib', [3006, 3007], 1),
+    'c_Li_in_7LiD': ThermalTuple('lilid', [3007], 1),
+    'c_Li_in_7LiH': ThermalTuple('lilih', [3007], 1),
     'c_Mg24': ThermalTuple('mg24', [12024], 1),
+    'c_Mg_in_MgF2': ThermalTuple('mgmgf2', [12024, 12025, 12026], 1),
+    'c_Mg_in_MgO': ThermalTuple('mgmgo', [12024, 12025, 12026], 1),
+    'c_N_in_UN_100p': ThermalTuple('nun100', [7014, 7015], 1),
+    'c_N_in_UN_10p': ThermalTuple('nun10', [7014, 7015], 1),
+    'c_N_in_UN_5p': ThermalTuple('nun5', [7014, 7015], 1),
     'c_N_in_UN': ThermalTuple('n-un', [7014, 7015], 1),
+    'c_N_in_UN_HALEU': ThermalTuple('nunhal', [7014, 7015], 1),
+    'c_N_in_UN_HEU': ThermalTuple('nunheu', [7014, 7015], 1),
     'c_O_in_Al2O3': ThermalTuple('osap00', [8016, 8017, 8018], 1),
     'c_O_in_BeO': ThermalTuple('obeo', [8016, 8017, 8018], 1),
+    'c_O_in_C5O2H8': ThermalTuple('olucit', [8016, 8017, 8018], 1),
     'c_O_in_D2O': ThermalTuple('od2o', [8016, 8017, 8018], 1),
     'c_O_in_H2O_solid': ThermalTuple('oice', [8016, 8017, 8018], 1),
+    'c_O_in_MgO': ThermalTuple('omgo', [8016, 8017, 8018], 1),
+    'c_O_in_PuO2': ThermalTuple('opuo2', [8016, 8017, 8018], 1),
+    'c_O_in_SiO2_alpha': ThermalTuple('osio2a', [8016, 8017, 8018], 1),
+    'c_O_in_UO2_100p': ThermalTuple('ouo200', [8016, 8017, 8018], 1),
+    'c_O_in_UO2_10p': ThermalTuple('ouo210', [8016, 8017, 8018], 1),
+    'c_O_in_UO2_5p': ThermalTuple('ouo25', [8016, 8017, 8018], 1),
     'c_O_in_UO2': ThermalTuple('ouo2', [8016, 8017, 8018], 1),
+    'c_O_in_UO2_HALEU': ThermalTuple('ouo2hl', [8016, 8017, 8018], 1),
+    'c_O_in_UO2_HEU': ThermalTuple('ouo2he', [8016, 8017, 8018], 1),
     'c_ortho_D': ThermalTuple('orthod', [1002], 1),
     'c_ortho_H': ThermalTuple('orthoh', [1001], 1),
     'c_para_D': ThermalTuple('parad', [1002], 1),
     'c_para_H': ThermalTuple('parah', [1001], 1),
+    'c_Pu_in_PuO2': ThermalTuple('puo2', [94239, 94240, 94241, 94242, 94243], 1),
     'c_Si28': ThermalTuple('si00', [14028], 1),
     'c_Si_in_SiC': ThermalTuple('sisic', [14028, 14029, 14030], 1),
+    'c_Si_in_SiO2_alpha': ThermalTuple('si_o2a', [14028, 14029, 14030], 1),
     'c_SiO2_alpha': ThermalTuple('sio2-a', [8016, 8017, 8018, 14028, 14029, 14030], 3),
     'c_SiO2_beta': ThermalTuple('sio2-b', [8016, 8017, 8018, 14028, 14029, 14030], 3),
+    'c_U_metal_100p': ThermalTuple('u-100p', [92233, 92234, 92235, 92236, 92238], 1),
+    'c_U_metal_10p': ThermalTuple('u-10p', [92233, 92234, 92235, 92236, 92238], 1),
+    'c_U_metal_5p': ThermalTuple('u-5p', [92233, 92234, 92235, 92236, 92238], 1),
+    'c_U_metal': ThermalTuple('umetal', [92233, 92234, 92235, 92236, 92238], 1),
+    'c_U_metal_HALEU': ThermalTuple('uhaleu', [92233, 92234, 92235, 92236, 92238], 1),
+    'c_U_metal_HEU': ThermalTuple('u-heu', [92233, 92234, 92235, 92236, 92238], 1),
+    'c_U_in_UC_100p': ThermalTuple('uc-100', [92233, 92234, 92235, 92236, 92238], 1),
+    'c_U_in_UC_10p': ThermalTuple('uc-10', [92233, 92234, 92235, 92236, 92238], 1),
+    'c_U_in_UC_5p': ThermalTuple('uc-5', [92233, 92234, 92235, 92236, 92238], 1),
+    'c_U_in_UC': ThermalTuple('uc-nat', [92233, 92234, 92235, 92236, 92238], 1),
+    'c_U_in_UC_HALEU': ThermalTuple('uc-hal', [92233, 92234, 92235, 92236, 92238], 1),
+    'c_U_in_UC_HEU': ThermalTuple('uc-heu', [92233, 92234, 92235, 92236, 92238], 1),
+    'c_U_in_UN_100p': ThermalTuple('un-100', [92233, 92234, 92235, 92236, 92238], 1),
+    'c_U_in_UN_10p': ThermalTuple('un-10', [92233, 92234, 92235, 92236, 92238], 1),
+    'c_U_in_UN_5p': ThermalTuple('un-5', [92233, 92234, 92235, 92236, 92238], 1),
     'c_U_in_UN': ThermalTuple('u-un', [92233, 92234, 92235, 92236, 92238], 1),
+    'c_U_in_UN_HALEU': ThermalTuple('un-hal', [92233, 92234, 92235, 92236, 92238], 1),
+    'c_U_in_UN_HEU': ThermalTuple('un-heu', [92233, 92234, 92235, 92236, 92238], 1),
+    'c_U_in_UO2_100p': ThermalTuple('uo2100', [92233, 92234, 92235, 92236, 92238], 1),
+    'c_U_in_UO2_10p': ThermalTuple('uo2-10', [92233, 92234, 92235, 92236, 92238], 1),
+    'c_U_in_UO2_5p': ThermalTuple('uo2-5', [92233, 92234, 92235, 92236, 92238], 1),
     'c_U_in_UO2': ThermalTuple('uuo2', [92233, 92234, 92235, 92236, 92238], 1),
+    'c_U_in_UO2_HALEU': ThermalTuple('uo2hal', [92233, 92234, 92235, 92236, 92238], 1),
+    'c_U_in_UO2_HEU': ThermalTuple('uo2heu', [92233, 92234, 92235, 92236, 92238], 1),
     'c_Y_in_YH2': ThermalTuple('yyh2', [39089], 1),
+    'c_Zr_in_ZrC': ThermalTuple('zrzrc', [40000, 40090, 40091, 40092, 40094, 40096], 1),
     'c_Zr_in_ZrH': ThermalTuple('zrzrh', [40000, 40090, 40091, 40092, 40094, 40096], 1),
     'c_Zr_in_ZrH2': ThermalTuple('zrzrh2', [40000, 40090, 40091, 40092, 40094, 40096], 1),
     'c_Zr_in_ZrHx': ThermalTuple('zrzrhx', [40000, 40090, 40091, 40092, 40094, 40096], 1),
diff --git a/openmc/data/thermal.py b/openmc/data/thermal.py
index 6df171d3a..df4dc1503 100644
--- a/openmc/data/thermal.py
+++ b/openmc/data/thermal.py
@@ -32,30 +32,54 @@ _THERMAL_NAMES = {
     'c_Al_in_Al2O3': ('asap00', 'asap', 'al(al2o3)'),
     'c_Be': ('be', 'be-metal', 'be-met', 'be00', 'be-metal', 'be metal', '4-be'),
     'c_BeO': ('beo',),
-    'c_Be_in_BeO': ('bebeo', 'be-beo', 'be-o', 'be/o', 'bbeo00', 'be(beo)'),
-    'c_Be_in_Be2C': ('bebe2c',),
+    'c_Be_distinct': ('besd', 'be+sd'),
+    'c_Be_in_BeO': ('bebeo', 'be-beo', 'be-o', 'be/o', 'bbeo00', 'be(beo)', 'be_beo'),
+    'c_Be_in_Be2C': ('bebe2c', 'be(be2c)'),
+    'c_Be_in_BeF2': ('bebef2', 'be in bef2'),
     'c_Be_in_FLiBe': ('beflib', 'be(flibe)'),
     'c_C6H6': ('benz', 'c6h6', 'benzine'),
-    'c_C_in_SiC': ('csic', 'c-sic', 'c(3c-sic)'),
-    'c_Ca_in_CaH2': ('cah', 'cah00', 'cacah2', 'ca(cah2)'),
+    'c_C_in_Be2C': ('cbe2c', 'c(be2c)'),
+    'c_C_in_C5O2H8': ('clucit', 'c(lucite)'),
+    'c_C_in_C8H8': ('cc8h8', 'c(polystyr'),
+    'c_C_in_CF2': ('ccf2', 'c(teflon)'),
+    'c_C_in_SiC': ('csic', 'c-sic', 'c(3c-sic)', 'c_sic'),
+    'c_C_in_UC_100p': ('cuc100', 'cinuc_100p'),
+    'c_C_in_UC_10p': ('cuc10', 'cinuc_10p'),
+    'c_C_in_UC_5p': ('cuc5', 'cinuc_5p'),
+    'c_C_in_UC': ('cinuc', 'cinuc_nat'),
+    'c_C_in_UC_HALEU': ('cuchal', 'cinuc_haleu'),
+    'c_C_in_UC_HEU': ('cucheu', 'cinuc_heu'),
+    'c_C_in_ZrC': ('czrc', 'c(zrc)'),
+    'c_Ca_in_CaH2': ('cah', 'cah00', 'cacah2', 'ca(cah2)', 'ca_cah2'),
+    'c_D_in_7LiD': ('dlid', 'd(7lid)'),
     'c_D_in_D2O': ('dd2o', 'd-d2o', 'hwtr', 'hw', 'dhw00', 'd(d2o)'),
-    'c_D_in_D2O_ice': ('dice',),
+    'c_D_in_D2O_solid': ('dice',),
+    'c_F_in_Be2': ('fbef2', 'f in bef2'),
+    'c_F_in_CF2': ('fcf2', 'f(teflon)'),
     'c_F_in_FLiBe': ('fflibe', 'f(flibe)'),
+    'c_F_in_HF': ('f_hf',),
+    'c_F_in_MgF2': ('fmgf2', 'f in mgf2'),
     'c_Fe56': ('fe', 'fe56', 'fe-56', '26-fe- 56'),
     'c_Graphite': ('graph', 'grph', 'gr', 'gr00', 'graphite'),
     'c_Graphite_10p': ('grph10', '10p graphit'),
+    'c_Graphite_20p': ('grph20', '20 graphite'),
     'c_Graphite_30p': ('grph30', '30p graphit'),
+    'c_Graphite_distinct': ('grphsd', 'grph+sd'),
+    'c_H_in_7LiH': ('hlih', 'h(7lih)'),
     'c_H_in_C5O2H8': ('lucite', 'c5o2h8', 'h-luci', 'h(lucite)'),
+    'c_H_in_C8H8': ('hc8h8', 'h(polystyr'),
     'c_H_in_CaH2': ('hcah2', 'hca00', 'h(cah2)'),
+    'c_H1_in_CaH2': ('h1cah2', 'h1_cah2'),
+    'c_H2_in_CaH2': ('h2cah2', 'h2_cah2'),
     'c_H_in_CH2': ('hch2', 'poly', 'pol', 'h-poly', 'pol00', 'h(ch2)'),
     'c_H_in_CH4_liquid': ('lch4', 'lmeth', 'l-ch4'),
     'c_H_in_CH4_solid': ('sch4', 'smeth', 's-ch4'),
     'c_H_in_CH4_solid_phase_II': ('sch4p2',),
     'c_H_in_H2O': ('hh2o', 'h-h2o', 'lwtr', 'lw', 'lw00', 'h(h2o)'),
     'c_H_in_H2O_solid': ('hice', 'h-ice', 'ice00', 'h(ice-ih)', 'h(ice)'),
-    'c_H_in_HF': ('hhf', 'h(hf)'),
+    'c_H_in_HF': ('hhf', 'h(hf)', 'h_hf'),
     'c_H_in_Mesitylene': ('mesi00', 'mesi', 'mesi-phii'),
-    'c_H_in_ParaffinicOil': ('hparaf', 'h(paraffin'),
+    'c_H_in_ParaffinicOil': ('hparaf', 'h(paraffin', 'h(paraffini'),
     'c_H_in_Toluene': ('tol00', 'tol', 'tolue-phii'),
     'c_H_in_UH3': ('huh3', 'h(uh3)'),
     'c_H_in_YH2': ('hyh2', 'h-yh2', 'h(yh2)'),
@@ -63,24 +87,67 @@ _THERMAL_NAMES = {
     'c_H_in_ZrH2': ('hzrh2', 'h(zrh2)'),
     'c_H_in_ZrHx': ('hzrhx', 'h(zrhx)'),
     'c_Li_in_FLiBe': ('liflib', 'li(flibe)'),
+    'c_Li_in_7LiD': ('lilid', '7li(7lid)'),
+    'c_Li_in_7LiH': ('lilih', '7li(7lih)'),
     'c_Mg24': ('mg', 'mg24', 'mg00', '24-mg'),
-    'c_N_in_UN': ('n-un', 'n(un)', 'n(un)    l'),
+    'c_Mg_in_MgF2': ('mgmgf2', 'mg in mgf2'),
+    'c_Mg_in_MgO': ('mgmgo', 'mg in mgo'),
+    'c_N_in_UN_100p': ('nun100', 'n-un-100p'),
+    'c_N_in_UN_10p': ('nun10', 'n-un-10p'),
+    'c_N_in_UN_5p': ('nun5', 'n-un-5p'),
+    'c_N_in_UN': ('n-un', 'n(un)', 'n(un)    l', 'ninun'),
+    'c_N_in_UN_HALEU': ('nunhal', 'n-un-haleu'),
+    'c_N_in_UN_HEU': ('nunheu', 'n-un-heu'),
     'c_O_in_Al2O3': ('osap00', 'osap', 'o(al2o3)'),
-    'c_O_in_BeO': ('obeo', 'o-beo', 'o-be', 'o/be', 'obeo00', 'o(beo)'),
+    'c_O_in_BeO': ('obeo', 'o-beo', 'o-be', 'o/be', 'obeo00', 'o(beo)', 'o_beo'),
+    'c_O_in_C5O2H8': ('olucit', 'o(lucite)'),
     'c_O_in_D2O': ('od2o', 'o-d2o', 'ohw00', 'o(d2o)'),
     'c_O_in_H2O_solid': ('oice', 'o-ice', 'o(ice-ih)'),
+    'c_O_in_MgO': ('omgo', 'o in mgo'),
+    'c_O_in_PuO2': ('opuo2', 'o in puo2'),
+    'c_O_in_SiO2_alpha': ('osio2a', 'o_sio2a'),
+    'c_O_in_UO2_100p': ('ouo200', 'o-uo2-100p'),
+    'c_O_in_UO2_10p': ('ouo210', 'oinuo2-10p'),
+    'c_O_in_UO2_5p': ('ouo25', 'oinuo2-5p'),
     'c_O_in_UO2': ('ouo2', 'o-uo2', 'o2-u', 'o2/u', 'ouo200', 'o(uo2)'),
+    'c_O_in_UO2_HALEU': ('ouo2hl', 'ouo2-haleu'),
+    'c_O_in_UO2_HEU': ('ouo2he', 'o_uo2-heu'),
     'c_ortho_D': ('orthod', 'orthoD', 'dortho', 'od200', 'ortod', 'ortho-d'),
     'c_ortho_H': ('orthoh', 'orthoH', 'hortho', 'oh200', 'ortoh', 'ortho-h'),
     'c_para_D': ('parad', 'paraD', 'dpara', 'pd200', 'para-d'),
     'c_para_H': ('parah', 'paraH', 'hpara', 'ph200', 'para-h'),
+    'c_Pu_in_PuO2': ('puo2', 'pu in puo2'),
     'c_Si28': ('si00', 'sili', 'si'),
-    'c_Si_in_SiC': ('sisic', 'si-sic', 'si(3c-sic)'),
+    'c_Si_in_SiC': ('sisic', 'si-sic', 'si(3c-sic)', 'si_sic'),
+    'c_Si_in_SiO2_alpha': ('si_o2a', 'si_sio2a'),
     'c_SiO2_alpha': ('sio2', 'sio2a', 'sio2alpha'),
     'c_SiO2_beta': ('sio2b', 'sio2beta'),
-    'c_U_in_UN': ('u-un', 'u(un)', 'u(un)    l'),
+    'c_U_metal_100p': ('u-100p',),
+    'c_U_metal_10p': ('u-10p',),
+    'c_U_metal_5p': ('u-5p',),
+    'c_U_metal': ('umetal', 'u-metal'),
+    'c_U_metal_HALEU': ('uhaleu', 'u-haleu'),
+    'c_U_metal_HEU': ('u-heu',),
+    'c_U_in_UC_100p': ('uc-100', 'uinuc_100p'),
+    'c_U_in_UC_10p': ('uc-10', 'uinuc_10p'),
+    'c_U_in_UC_5p': ('uc-5', 'uinuc_5p'),
+    'c_U_in_UC': ('uc-nat', 'uinuc_nat'),
+    'c_U_in_UC_HALEU': ('uc-hal', 'uinuc_haleu'),
+    'c_U_in_UC_HEU': ('uc-heu', 'uinuc_heu'),
+    'c_U_in_UN_100p': ('un-100', 'u-un-100p'),
+    'c_U_in_UN_10p': ('un-10', 'u-un-10p'),
+    'c_U_in_UN_5p': ('un-5', 'u-un-5p'),
+    'c_U_in_UN': ('u-un', 'u(un)', 'u(un)    l', 'uinun'),
+    'c_U_in_UN_HALEU': ('un-hal', 'u-un-haleu'),
+    'c_U_in_UN_HEU': ('un-heu', 'u-un-heu'),
+    'c_U_in_UO2_100p': ('uo2100', 'uuo2-100p'),
+    'c_U_in_UO2_10p': ('uo2-10', 'uuo2-10p'),
+    'c_U_in_UO2_5p': ('uo2-5', 'uuo2-5p'),
     'c_U_in_UO2': ('uuo2', 'u-uo2', 'u-o2', 'u/o2', 'uuo200', 'u(uo2)'),
+    'c_U_in_UO2_HALEU': ('uo2hal', 'uuo2-haleu'),
+    'c_U_in_UO2_HEU': ('uo2heu', 'u_uo2-heu'),
     'c_Y_in_YH2': ('yyh2', 'y-yh2', 'y(yh2)'),
+    'c_Zr_in_ZrC': ('zrzrc', 'zr(zrc)'),
     'c_Zr_in_ZrH': ('zrzrh', 'zr-zrh', 'zr-h', 'zr/h', 'zr(zrh)'),
     'c_Zr_in_ZrH2': ('zrzrh2', 'zr(zrh2)'),
     'c_Zr_in_ZrHx': ('zrzrhx', 'zr(zrhx)'),

From 560bd22bce0b3d21d6a5962b4a5da917d4ef6be1 Mon Sep 17 00:00:00 2001
From: John Tramm <john.tramm@gmail.com>
Date: Tue, 21 Jan 2025 16:27:01 -0600
Subject: [PATCH 2219/2654] Tweak To Sphinx Install Documentation (#3271)

---
 docs/source/devguide/docbuild.rst | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/docs/source/devguide/docbuild.rst b/docs/source/devguide/docbuild.rst
index 389a423f3..f723db06e 100644
--- a/docs/source/devguide/docbuild.rst
+++ b/docs/source/devguide/docbuild.rst
@@ -12,7 +12,7 @@ Python API. That is, from the root directory of the OpenMC repository:
 
 .. code-block:: sh
 
-    python -m pip install .[docs]
+    python -m pip install ".[docs]"
 
 -----------------------------------
 Building Documentation as a Webpage

From 70897800264098b2b3c68c993b89b5582e42f387 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 24 Jan 2025 14:29:00 -0600
Subject: [PATCH 2220/2654] Add test for flux bias with weight windows in
 multigroup mode (#3202)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 src/physics_mg.cpp                           |  6 +--
 tests/unit_tests/weightwindows/test_ww_mg.py | 51 ++++++++++++++++++++
 tests/unit_tests/weightwindows/ww_mg.txt     | 27 +++++++++++
 3 files changed, 81 insertions(+), 3 deletions(-)
 create mode 100644 tests/unit_tests/weightwindows/test_ww_mg.py
 create mode 100644 tests/unit_tests/weightwindows/ww_mg.txt

diff --git a/src/physics_mg.cpp b/src/physics_mg.cpp
index 3cc0532d2..e967afd79 100644
--- a/src/physics_mg.cpp
+++ b/src/physics_mg.cpp
@@ -28,12 +28,12 @@ void collision_mg(Particle& p)
   // Add to the collision counter for the particle
   p.n_collision()++;
 
-  if (settings::weight_window_checkpoint_collision)
-    apply_weight_windows(p);
-
   // Sample the reaction type
   sample_reaction(p);
 
+  if (settings::weight_window_checkpoint_collision)
+    apply_weight_windows(p);
+
   // Display information about collision
   if ((settings::verbosity >= 10) || p.trace()) {
     write_message(fmt::format("    Energy Group = {}", p.g()), 1);
diff --git a/tests/unit_tests/weightwindows/test_ww_mg.py b/tests/unit_tests/weightwindows/test_ww_mg.py
new file mode 100644
index 000000000..23e09ea0c
--- /dev/null
+++ b/tests/unit_tests/weightwindows/test_ww_mg.py
@@ -0,0 +1,51 @@
+import numpy as np
+import openmc
+
+
+def test_weight_windows_mg(request, run_in_tmpdir):
+    # import basic random ray model
+    model = openmc.examples.random_ray_three_region_cube()
+
+    # create a mesh tally
+    mesh = openmc.RegularMesh.from_domain(model.geometry, (3, 3, 3))
+    mesh_tally = openmc.Tally()
+    mesh_tally.filters = [openmc.MeshFilter(mesh)]
+    mesh_tally.scores = ['flux']
+    model.tallies = [mesh_tally]
+
+    # replace random ray settings with fixed source settings
+    settings = openmc.Settings()
+    settings.particles = 5000
+    settings.batches = 10
+    settings.energy_mode = 'multi-group'
+    settings.run_mode = 'fixed source'
+    space = openmc.stats.Point((1, 1, 1))
+    energy = openmc.stats.delta_function(1e6)
+    settings.source = openmc.IndependentSource(space=space, energy=energy)
+    model.settings = settings
+
+    # perform analog simulation
+    statepoint = model.run()
+
+    # extract flux from analog simulation
+    with openmc.StatePoint(statepoint) as sp:
+        tally_out = sp.get_tally(id=mesh_tally.id)
+        flux_analog = tally_out.mean
+
+    # load the weight windows for this problem and apply them
+    ww_lower_bnds = np.loadtxt(request.path.parent / 'ww_mg.txt')
+    weight_windows = openmc.WeightWindows(mesh, lower_ww_bounds=ww_lower_bnds, upper_bound_ratio=5.0)
+    model.settings.weight_windows = weight_windows
+    model.settings.weight_windows_on = True
+
+    # re-run with weight windows
+    statepoint = model.run()
+    with openmc.StatePoint(statepoint) as sp:
+        tally_out = sp.get_tally(id=mesh_tally.id)
+        flux_ww = tally_out.mean
+
+    # the sum of the fluxes should approach the same value (no bias introduced)
+    analog_sum = flux_analog.sum()
+    ww_sum = flux_ww.sum()
+    assert np.allclose(analog_sum, ww_sum, rtol=1e-2)
+
diff --git a/tests/unit_tests/weightwindows/ww_mg.txt b/tests/unit_tests/weightwindows/ww_mg.txt
new file mode 100644
index 000000000..7bcc59d97
--- /dev/null
+++ b/tests/unit_tests/weightwindows/ww_mg.txt
@@ -0,0 +1,27 @@
+5.000000000000000278e-02
+1.023184121346435924e-02
+3.006624096325660397e-03
+1.030178532774538719e-02
+6.058877789444589400e-03
+2.216914234856166583e-03
+3.061186967456217597e-03
+2.148267952185671601e-03
+1.026171712186230980e-03
+1.040022203443005666e-02
+6.040633813799485378e-03
+2.364143118752318716e-03
+6.119726639841410569e-03
+4.329097093078606955e-03
+1.873104469085542763e-03
+2.246957229279350661e-03
+1.851165248260521617e-03
+7.825824911598703530e-04
+3.021300894848398706e-03
+2.286420236345795311e-03
+9.318583473482396160e-04
+2.234702678114806364e-03
+1.813664566119888152e-03
+7.969287848384389462e-04
+1.017895970086981662e-03
+7.707144532950136471e-04
+3.386087166633241791e-04

From f207d4220afa0582942b2b8f5281e3151ebac429 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 24 Jan 2025 16:49:58 -0600
Subject: [PATCH 2221/2654] Adding methods to automatically apply results to
 existing Tally objects. (#2671)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/arithmetic.py                  |  52 +++----------
 openmc/cell.py                        |   3 +-
 openmc/mgxs/mgxs.py                   |   2 +-
 openmc/model/model.py                 |  24 +++++-
 openmc/statepoint.py                  |  40 ++++++----
 openmc/tallies.py                     | 104 ++++++++++++++++++++------
 openmc/universe.py                    |   3 +-
 tests/regression_tests/source/test.py |   2 +-
 tests/unit_tests/test_tallies.py      |  77 ++++++++++++++++++-
 9 files changed, 223 insertions(+), 84 deletions(-)

diff --git a/openmc/arithmetic.py b/openmc/arithmetic.py
index 821014e36..92c42284c 100644
--- a/openmc/arithmetic.py
+++ b/openmc/arithmetic.py
@@ -93,9 +93,9 @@ class CrossNuclide:
 
     Parameters
     ----------
-    left_nuclide : openmc.Nuclide or CrossNuclide
+    left_nuclide : str or CrossNuclide
         The left nuclide in the outer product
-    right_nuclide : openmc.Nuclide or CrossNuclide
+    right_nuclide : str or CrossNuclide
         The right nuclide in the outer product
     binary_op : str
         The tally arithmetic binary operator (e.g., '+', '-', etc.) used to
@@ -103,9 +103,9 @@ class CrossNuclide:
 
     Attributes
     ----------
-    left_nuclide : openmc.Nuclide or CrossNuclide
+    left_nuclide : str or CrossNuclide
         The left nuclide in the outer product
-    right_nuclide : openmc.Nuclide or CrossNuclide
+    right_nuclide : str or CrossNuclide
         The right nuclide in the outer product
     binary_op : str
         The tally arithmetic binary operator (e.g., '+', '-', etc.) used to
@@ -134,7 +134,7 @@ class CrossNuclide:
     @left_nuclide.setter
     def left_nuclide(self, left_nuclide):
         cv.check_type('left_nuclide', left_nuclide,
-                      (openmc.Nuclide, CrossNuclide, AggregateNuclide))
+                      (str, CrossNuclide, AggregateNuclide))
         self._left_nuclide = left_nuclide
 
     @property
@@ -144,7 +144,7 @@ class CrossNuclide:
     @right_nuclide.setter
     def right_nuclide(self, right_nuclide):
         cv.check_type('right_nuclide', right_nuclide,
-                      (openmc.Nuclide, CrossNuclide, AggregateNuclide))
+                      (str, CrossNuclide, AggregateNuclide))
         self._right_nuclide = right_nuclide
 
     @property
@@ -159,26 +159,7 @@ class CrossNuclide:
 
     @property
     def name(self):
-
-        string = ''
-
-        # If the Summary was linked, the left nuclide is a Nuclide object
-        if isinstance(self.left_nuclide, openmc.Nuclide):
-            string += '(' + self.left_nuclide.name
-        # If the Summary was not linked, the left nuclide is the ZAID
-        else:
-            string += '(' + str(self.left_nuclide)
-
-        string += ' ' + self.binary_op + ' '
-
-        # If the Summary was linked, the right nuclide is a Nuclide object
-        if isinstance(self.right_nuclide, openmc.Nuclide):
-            string += self.right_nuclide.name + ')'
-        # If the Summary was not linked, the right nuclide is the ZAID
-        else:
-            string += str(self.right_nuclide) + ')'
-
-        return string
+        return f'({self.left_nuclide} {self.binary_op} {self.right_nuclide})'
 
 
 class CrossFilter:
@@ -440,7 +421,7 @@ class AggregateNuclide:
 
     Parameters
     ----------
-    nuclides : Iterable of str or openmc.Nuclide or CrossNuclide
+    nuclides : Iterable of str or CrossNuclide
         The nuclides included in the aggregation
     aggregate_op : str
         The tally aggregation operator (e.g., 'sum', 'avg', etc.) used
@@ -448,7 +429,7 @@ class AggregateNuclide:
 
     Attributes
     ----------
-    nuclides : Iterable of str or openmc.Nuclide or CrossNuclide
+    nuclides : Iterable of str or CrossNuclide
         The nuclides included in the aggregation
     aggregate_op : str
         The tally aggregation operator (e.g., 'sum', 'avg', etc.) used
@@ -473,13 +454,7 @@ class AggregateNuclide:
         return str(other) == str(self)
 
     def __repr__(self):
-
-        # Append each nuclide in the aggregate to the string
-        string = f'{self.aggregate_op}('
-        names = [nuclide.name if isinstance(nuclide, openmc.Nuclide)
-                 else str(nuclide) for nuclide in self.nuclides]
-        string += ', '.join(map(str, names)) + ')'
-        return string
+        return f'{self.aggregate_op}{self.name}'
 
     @property
     def nuclides(self):
@@ -502,12 +477,9 @@ class AggregateNuclide:
 
     @property
     def name(self):
-
         # Append each nuclide in the aggregate to the string
-        names = [nuclide.name if isinstance(nuclide, openmc.Nuclide)
-                 else str(nuclide) for nuclide in self.nuclides]
-        string = '(' + ', '.join(map(str, names)) + ')'
-        return string
+        names = [str(nuclide) for nuclide in self.nuclides]
+        return '(' + ', '.join(map(str, names)) + ')'
 
 
 class AggregateFilter:
diff --git a/openmc/cell.py b/openmc/cell.py
index fe3939bbe..2e0f2ff13 100644
--- a/openmc/cell.py
+++ b/openmc/cell.py
@@ -403,9 +403,8 @@ class Cell(IDManagerMixin):
             if self._atoms is not None:
                 volume = self.volume
                 for name, atoms in self._atoms.items():
-                    nuclide = openmc.Nuclide(name)
                     density = 1.0e-24 * atoms.n/volume  # density in atoms/b-cm
-                    nuclides[name] = (nuclide, density)
+                    nuclides[name] = (name, density)
             else:
                 raise RuntimeError(
                     'Volume information is needed to calculate microscopic '
diff --git a/openmc/mgxs/mgxs.py b/openmc/mgxs/mgxs.py
index 588b6f64e..1bc7f9387 100644
--- a/openmc/mgxs/mgxs.py
+++ b/openmc/mgxs/mgxs.py
@@ -956,7 +956,7 @@ class MGXS:
             self.xs_tally._nuclides = []
             nuclides = self.get_nuclides()
             for nuclide in nuclides:
-                self.xs_tally.nuclides.append(openmc.Nuclide(nuclide))
+                self.xs_tally.nuclides.append(nuclide)
 
         # Remove NaNs which may have resulted from divide-by-zero operations
         self.xs_tally._mean = np.nan_to_num(self.xs_tally.mean)
diff --git a/openmc/model/model.py b/openmc/model/model.py
index 1c261061a..80859c55d 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -14,7 +14,7 @@ import openmc
 import openmc._xml as xml
 from openmc.dummy_comm import DummyCommunicator
 from openmc.executor import _process_CLI_arguments
-from openmc.checkvalue import check_type, check_value
+from openmc.checkvalue import check_type, check_value, PathLike
 from openmc.exceptions import InvalidIDError
 from openmc.utility_funcs import change_directory
 
@@ -604,7 +604,8 @@ class Model:
     def run(self, particles=None, threads=None, geometry_debug=False,
             restart_file=None, tracks=False, output=True, cwd='.',
             openmc_exec='openmc', mpi_args=None, event_based=None,
-            export_model_xml=True, **export_kwargs):
+            export_model_xml=True, apply_tally_results=False,
+            **export_kwargs):
         """Run OpenMC
 
         If the C API has been initialized, then the C API is used, otherwise,
@@ -654,6 +655,11 @@ class Model:
             to True.
 
             .. versionadded:: 0.13.3
+        apply_tally_results : bool
+            Whether to apply results of the final statepoint file to the
+            model's tally objects.
+
+            .. versionadded:: 0.15.1
         **export_kwargs
             Keyword arguments passed to either :meth:`Model.export_to_model_xml`
             or :meth:`Model.export_to_xml`.
@@ -725,6 +731,10 @@ class Model:
                 if mtime >= tstart:  # >= allows for poor clock resolution
                     tstart = mtime
                     last_statepoint = sp
+
+        if apply_tally_results:
+            self.apply_tally_results(last_statepoint)
+
         return last_statepoint
 
     def calculate_volumes(self, threads=None, output=True, cwd='.',
@@ -932,6 +942,16 @@ class Model:
                     n_samples=n_samples, prn_seed=prn_seed
                 )
 
+    def apply_tally_results(self, statepoint: PathLike | openmc.StatePoint):
+        """Apply results from a statepoint to tally objects on the Model
+
+        Parameters
+        ----------
+        statepoint : PathLike or openmc.StatePoint
+            Statepoint file used to update tally results
+        """
+        self.tallies.add_results(statepoint)
+
     def plot_geometry(self, output=True, cwd='.', openmc_exec='openmc',
                       export_model_xml=True, **export_kwargs):
         """Creates plot images as specified by the Model.plots attribute
diff --git a/openmc/statepoint.py b/openmc/statepoint.py
index 13aac0caf..5720f8cd0 100644
--- a/openmc/statepoint.py
+++ b/openmc/statepoint.py
@@ -448,14 +448,11 @@ class StatePoint:
                     nuclide_names = group['nuclides'][()]
 
                     # Add all nuclides to the Tally
-                    for name in nuclide_names:
-                        nuclide = openmc.Nuclide(name.decode().strip())
-                        tally.nuclides.append(nuclide)
+                    tally.nuclides = [name.decode().strip() for name in nuclide_names]
 
                     # Add the scores to the Tally
                     scores = group['score_bins'][()]
-                    for score in scores:
-                        tally.scores.append(score.decode())
+                    tally.scores = [score.decode() for score in scores]
 
                     # Add Tally to the global dictionary of all Tallies
                     tally.sparse = self.sparse
@@ -526,15 +523,16 @@ class StatePoint:
 
     def get_tally(self, scores=[], filters=[], nuclides=[],
                   name=None, id=None, estimator=None, exact_filters=False,
-                  exact_nuclides=False, exact_scores=False):
+                  exact_nuclides=False, exact_scores=False,
+                  multiply_density=None, derivative=None):
         """Finds and returns a Tally object with certain properties.
 
         This routine searches the list of Tallies and returns the first Tally
         found which satisfies all of the input parameters.
 
         NOTE: If any of the "exact" parameters are False (default), the input
-        parameters do not need to match the complete Tally specification and
-        may only represent a subset of the Tally's properties. If an "exact"
+        parameters do not need to match the complete Tally specification and may
+        only represent a subset of the Tally's properties. If an "exact"
         parameter is True then number of scores, filters, or nuclides in the
         parameters must precisely match those of any matching Tally.
 
@@ -561,9 +559,15 @@ class StatePoint:
             to those in the matching Tally. If False (default), the nuclides in
             the parameters may be a subset of those in the matching Tally.
         exact_scores : bool
-            If True, the number of scores in the parameters must be identical
-            to those in the matching Tally. If False (default), the scores
-            in the parameters may be a subset of those in the matching Tally.
+            If True, the number of scores in the parameters must be identical to
+            those in the matching Tally. If False (default), the scores in the
+            parameters may be a subset of those in the matching Tally. Default
+            is None (no check).
+        multiply_density : bool, optional
+            If not None, the Tally must have the multiply_density attribute set
+            to the same value as this parameter.
+        derivative : openmc.TallyDerivative, optional
+            TallyDerivative object to match.
 
         Returns
         -------
@@ -591,17 +595,25 @@ class StatePoint:
             if id and id != test_tally.id:
                 continue
 
-            # Determine if Tally has queried estimator
-            if estimator and estimator != test_tally.estimator:
+            # Determine if Tally has queried estimator, only move on to next tally
+            # if the estimator is both specified and the tally estimtor does not
+            # match
+            if estimator is not None and estimator != test_tally.estimator:
                 continue
 
             # The number of filters, nuclides and scores must exactly match
             if exact_scores and len(scores) != test_tally.num_scores:
                 continue
-            if exact_nuclides and len(nuclides) != test_tally.num_nuclides:
+            if exact_nuclides and nuclides and len(nuclides) != test_tally.num_nuclides:
+                continue
+            if exact_nuclides and not nuclides and test_tally.nuclides != ['total']:
                 continue
             if exact_filters and len(filters) != test_tally.num_filters:
                 continue
+            if derivative is not None and derivative != test_tally.derivative:
+                continue
+            if multiply_density is not None and multiply_density != test_tally.multiply_density:
+                continue
 
             # Determine if Tally has the queried score(s)
             if scores:
diff --git a/openmc/tallies.py b/openmc/tallies.py
index f39ffa078..b0d78d357 100644
--- a/openmc/tallies.py
+++ b/openmc/tallies.py
@@ -1,3 +1,4 @@
+from __future__ import annotations
 from collections.abc import Iterable, MutableSequence
 import copy
 from functools import partial, reduce
@@ -33,7 +34,7 @@ _NUCLIDE_CLASSES = (str, openmc.CrossNuclide, openmc.AggregateNuclide)
 _FILTER_CLASSES = (openmc.Filter, openmc.CrossFilter, openmc.AggregateFilter)
 
 # Valid types of estimators
-ESTIMATOR_TYPES = ['tracklength', 'collision', 'analog']
+ESTIMATOR_TYPES = {'tracklength', 'collision', 'analog'}
 
 
 class Tally(IDManagerMixin):
@@ -65,7 +66,9 @@ class Tally(IDManagerMixin):
     scores : list of str
         List of defined scores, e.g. 'flux', 'fission', etc.
     estimator : {'analog', 'tracklength', 'collision'}
-        Type of estimator for the tally
+        Type of estimator for the tally. If unset (None), OpenMC will automatically
+        select an appropriate estimator based on the tally filters and scores
+        with a preference for 'tracklength'.
     triggers : list of openmc.Trigger
         List of tally triggers
     num_scores : int
@@ -131,6 +134,36 @@ class Tally(IDManagerMixin):
         self._sp_filename = None
         self._results_read = False
 
+    def __eq__(self, other):
+        if other.id != self.id:
+            return False
+        if other.name != self.name:
+            return False
+        # estimators are automatically set based on the tally filters and scores
+        # during OpenMC initialization if this value is None, so it is not
+        # considered a requirement for equivalence if it is unset on either
+        # tally as it implies that the user is allowing OpenMC to select an
+        # appropriate estimator. If the value is explicitly set on both tallies,
+        # then the values must match for the tallies to be considered equivalent.
+        if self.estimator is not None and other.estimator is not None and other.estimator != self.estimator:
+            return False
+        if other.filters != self.filters:
+            return False
+        # for tallies are loaded from statpoint files
+        # an empty nuclide list is equivalent to a list with 'total'
+        other_nuclides = other.nuclides.copy()
+        self_nuclides = self.nuclides.copy()
+        if 'total' in other_nuclides:
+            other_nuclides.remove('total')
+        if 'total' in self_nuclides:
+            self_nuclides.remove('total')
+        if other_nuclides != self_nuclides:
+            return False
+        for attr in {'scores', 'triggers', 'derivative', 'multiply_density'}:
+            if getattr(other, attr) != getattr(self, attr):
+                return False
+        return True
+
     def __repr__(self):
         parts = ['Tally']
         parts.append('{: <15}=\t{}'.format('ID', self.id))
@@ -266,7 +299,8 @@ class Tally(IDManagerMixin):
 
     @estimator.setter
     def estimator(self, estimator):
-        cv.check_value('estimator', estimator, ESTIMATOR_TYPES)
+        # allow the estimator to be set to None (let OpenMC choose the estimator at runtime)
+        cv.check_value('estimator', estimator, ESTIMATOR_TYPES | {None})
         self._estimator = estimator
 
     @property
@@ -304,8 +338,16 @@ class Tally(IDManagerMixin):
 
         # Open the HDF5 statepoint file
         with h5py.File(self._sp_filename, 'r') as f:
+            # Set number of realizations
+            group = f[f'tallies/tally {self.id}']
+            self.num_realizations = int(group['n_realizations'][()])
+
+            # Update nuclides
+            nuclide_names = group['nuclides'][()]
+            self.nuclides = [name.decode().strip() for name in nuclide_names]
+
             # Extract Tally data from the file
-            data = f[f'tallies/tally {self.id}/results']
+            data = group['results']
             sum_ = data[:, :, 0]
             sum_sq = data[:, :, 1]
 
@@ -511,7 +553,7 @@ class Tally(IDManagerMixin):
 
         Parameters
         ----------
-        nuclide : openmc.Nuclide
+        nuclide : str
             Nuclide to remove
 
         """
@@ -883,6 +925,21 @@ class Tally(IDManagerMixin):
 
         return element
 
+    def add_results(self, statepoint: cv.PathLike | openmc.StatePoint):
+        """Add results from the provided statepoint file to this tally instance
+
+        .. versionadded:: 0.15.1
+
+        Parameters
+        ----------
+        statepoint : openmc.PathLike or openmc.StatePoint
+            Statepoint used to update tally results
+        """
+        if isinstance(statepoint, openmc.StatePoint):
+            self._sp_filename = statepoint._f.filename
+        else:
+            self._sp_filename = str(statepoint)
+
     @classmethod
     def from_xml_element(cls, elem, **kwargs):
         """Generate tally object from an XML element
@@ -1020,17 +1077,10 @@ class Tally(IDManagerMixin):
             in the Tally.
 
         """
-        # Look for the user-requested nuclide in all of the Tally's Nuclides
+        # Look for the user-requested nuclide in all of the Tally's nuclides
         for i, test_nuclide in enumerate(self.nuclides):
-            # If the Summary was linked, then values are Nuclide objects
-            if isinstance(test_nuclide, openmc.Nuclide):
-                if test_nuclide.name == nuclide:
-                    return i
-
-            # If the Summary has not been linked, then values are ZAIDs
-            else:
-                if test_nuclide == nuclide:
-                    return i
+            if test_nuclide == nuclide:
+                return i
 
         msg = (f'Unable to get the nuclide index for Tally since "{nuclide}" '
                'is not one of the nuclides')
@@ -1357,9 +1407,7 @@ class Tally(IDManagerMixin):
             column_name = 'nuclide'
 
             for nuclide in self.nuclides:
-                if isinstance(nuclide, openmc.Nuclide):
-                    nuclides.append(nuclide.name)
-                elif isinstance(nuclide, openmc.AggregateNuclide):
+                if isinstance(nuclide, openmc.AggregateNuclide):
                     nuclides.append(nuclide.name)
                     column_name = f'{nuclide.aggregate_op}(nuclide)'
                 else:
@@ -2350,7 +2398,8 @@ class Tally(IDManagerMixin):
             new_tally.name = self.name
             new_tally._mean = self.mean / other
             new_tally._std_dev = self.std_dev * np.abs(1. / other)
-            new_tally.estimator = self.estimator
+            if self.estimator is not None:
+                new_tally.estimator = self.estimator
             new_tally.with_summary = self.with_summary
             new_tally.num_realizations = self.num_realizations
 
@@ -2643,8 +2692,8 @@ class Tally(IDManagerMixin):
 
             # Determine the nuclide indices from any of the requested nuclides
             for nuclide in self.nuclides:
-                if nuclide.name not in nuclides:
-                    nuclide_index = self.get_nuclide_index(nuclide.name)
+                if nuclide not in nuclides:
+                    nuclide_index = self.get_nuclide_index(nuclide)
                     nuclide_indices.append(nuclide_index)
 
             # Loop over indices in reverse to remove excluded Nuclides
@@ -3166,6 +3215,19 @@ class Tallies(cv.CheckedList):
                     # Continue iterating from the first loop
                     break
 
+    def add_results(self, statepoint: cv.PathLike | openmc.StatePoint):
+        """Add results from the provided statepoint file
+
+        .. versionadded:: 0.15.1
+
+        Parameters
+        ----------
+        statepoint : openmc.PathLike or openmc.StatePoint
+            Statepoint used to update tally results
+        """
+        for tally in self:
+            tally.add_results(statepoint)
+
     def _create_tally_subelements(self, root_element):
         for tally in self:
             root_element.append(tally.to_xml_element())
diff --git a/openmc/universe.py b/openmc/universe.py
index 85ce6fd96..71ffa726b 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -598,9 +598,8 @@ class UniverseBase(ABC, IDManagerMixin):
         if self._atoms:
             volume = self.volume
             for name, atoms in self._atoms.items():
-                nuclide = openmc.Nuclide(name)
                 density = 1.0e-24 * atoms.n/volume  # density in atoms/b-cm
-                nuclides[name] = (nuclide, density)
+                nuclides[name] = (name, density)
         else:
             raise RuntimeError(
                 'Volume information is needed to calculate microscopic cross '
diff --git a/tests/regression_tests/source/test.py b/tests/regression_tests/source/test.py
index c1f4dccff..96efa77eb 100644
--- a/tests/regression_tests/source/test.py
+++ b/tests/regression_tests/source/test.py
@@ -11,7 +11,7 @@ class SourceTestHarness(PyAPITestHarness):
         super().__init__(*args, **kwargs)
         mat1 = openmc.Material(material_id=1, temperature=294)
         mat1.set_density('g/cm3', 4.5)
-        mat1.add_nuclide(openmc.Nuclide('U235'), 1.0)
+        mat1.add_nuclide('U235', 1.0)
         self._model.materials = openmc.Materials([mat1])
 
         sphere = openmc.Sphere(surface_id=1, r=10.0, boundary_type='vacuum')
diff --git a/tests/unit_tests/test_tallies.py b/tests/unit_tests/test_tallies.py
index 544443312..f044df5d0 100644
--- a/tests/unit_tests/test_tallies.py
+++ b/tests/unit_tests/test_tallies.py
@@ -41,4 +41,79 @@ def test_xml_roundtrip(run_in_tmpdir):
     assert len(new_tally.triggers) == 1
     assert new_tally.triggers[0].trigger_type == tally.triggers[0].trigger_type
     assert new_tally.triggers[0].threshold == tally.triggers[0].threshold
-    assert new_tally.triggers[0].scores == tally.triggers[0].scores
\ No newline at end of file
+    assert new_tally.triggers[0].scores == tally.triggers[0].scores
+    assert new_tally.multiply_density == tally.multiply_density
+
+
+def test_tally_equivalence():
+    tally_a = openmc.Tally()
+    tally_b = openmc.Tally(tally_id=tally_a.id)
+
+    tally_a.name = 'new name'
+    assert tally_a != tally_b
+    tally_b.name = tally_a.name
+    assert tally_a == tally_b
+
+    assert tally_a == tally_b
+    ef_a = openmc.EnergyFilter([0.0, 0.1, 1.0, 10.0e6])
+    ef_b = openmc.EnergyFilter([0.0, 0.1, 1.0, 10.0e6])
+
+    tally_a.filters = [ef_a]
+    assert tally_a != tally_b
+    tally_b.filters = [ef_b]
+    assert tally_a == tally_b
+
+    tally_a.scores = ['flux', 'absorption', 'fission', 'scatter']
+    assert tally_a != tally_b
+    tally_b.scores = ['flux', 'absorption', 'fission', 'scatter']
+    assert tally_a == tally_b
+
+    tally_a.nuclides = []
+    tally_b.nuclides = []
+    assert tally_a == tally_b
+
+    tally_a.nuclides = ['total']
+    assert tally_a == tally_b
+
+    # a tally with an estimator set to None is equal to
+    # a tally with an estimator specified
+    tally_a.estimator = 'collision'
+    assert tally_a == tally_b
+    tally_b.estimator = 'collision'
+    assert tally_a == tally_b
+
+    tally_a.multiply_density = False
+    assert tally_a != tally_b
+    tally_b.multiply_density = False
+    assert tally_a == tally_b
+
+    trigger_a = openmc.Trigger('rel_err', 0.025)
+    trigger_b = openmc.Trigger('rel_err', 0.025)
+
+    tally_a.triggers = [trigger_a]
+    assert tally_a != tally_b
+    tally_b.triggers = [trigger_b]
+    assert tally_a == tally_b
+
+
+def test_tally_application(sphere_model, run_in_tmpdir):
+    # Create a tally with most possible gizmos
+    tally = openmc.Tally(name='test tally')
+    ef = openmc.EnergyFilter([0.0, 0.1, 1.0, 10.0e6])
+    mesh = openmc.RegularMesh.from_domain(sphere_model.geometry, (2, 2, 2))
+    mf = openmc.MeshFilter(mesh)
+    tally.filters = [ef, mf]
+    tally.scores = ['flux', 'absorption', 'fission', 'scatter']
+    sphere_model.tallies = [tally]
+
+    # run the simulation and apply results
+    sp_file = sphere_model.run(apply_tally_results=True)
+    with openmc.StatePoint(sp_file) as sp:
+        assert tally in sp.tallies.values()
+        sp_tally = sp.tallies[tally.id]
+
+    # at this point the tally information regarding results should be the same
+    assert (sp_tally.mean == tally.mean).all()
+    assert (sp_tally.std_dev == tally.std_dev).all()
+    assert sp_tally.nuclides == tally.nuclides
+

From 7a18108724edbdc0adf004308c3955824d9b102c Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 24 Jan 2025 18:06:15 -0600
Subject: [PATCH 2222/2654] Adjust for secondary particle energy directly in
 heating scores (#3227)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 include/openmc/particle.h              |  6 ++++
 include/openmc/particle_data.h         | 12 ++++---
 src/particle.cpp                       | 19 ++++++++---
 src/physics.cpp                        |  9 +++--
 src/physics_mg.cpp                     |  9 +++--
 src/tallies/tally_scoring.cpp          | 13 ++------
 src/track_output.cpp                   |  4 +--
 src/weight_windows.cpp                 |  2 +-
 tests/unit_tests/weightwindows/test.py | 46 ++++++++++++++++++++++++--
 9 files changed, 83 insertions(+), 37 deletions(-)

diff --git a/include/openmc/particle.h b/include/openmc/particle.h
index 6a2e67049..b1f9fabd1 100644
--- a/include/openmc/particle.h
+++ b/include/openmc/particle.h
@@ -53,6 +53,12 @@ public:
   //! \param type Particle type
   void create_secondary(double wgt, Direction u, double E, ParticleType type);
 
+  //! split a particle
+  //
+  //! creates a new particle with weight wgt
+  //! \param wgt Weight of the new particle
+  void split(double wgt);
+
   //! initialize from a source site
   //
   //! initializes a particle from data stored in a source site. The source
diff --git a/include/openmc/particle_data.h b/include/openmc/particle_data.h
index 66137c5f6..2255d1a7d 100644
--- a/include/openmc/particle_data.h
+++ b/include/openmc/particle_data.h
@@ -430,7 +430,7 @@ private:
   int delayed_group_ {0};
 
   int n_bank_ {0};
-  int n_bank_second_ {0};
+  double bank_second_E_ {0.0};
   double wgt_bank_ {0.0};
   int n_delayed_bank_[MAX_DELAYED_GROUPS];
 
@@ -544,11 +544,13 @@ public:
   int& delayed_group() { return delayed_group_; } // delayed group
 
   // Post-collision data
-  int& n_bank() { return n_bank_; } // number of banked fission sites
-  int& n_bank_second()
+  double& bank_second_E()
   {
-    return n_bank_second_;
-  }                                        // number of secondaries banked
+    return bank_second_E_;
+  } // energy of last reaction secondaries
+  const double& bank_second_E() const { return bank_second_E_; }
+
+  int& n_bank() { return n_bank_; }        // number of banked fission sites
   double& wgt_bank() { return wgt_bank_; } // weight of banked fission sites
   int* n_delayed_bank()
   {
diff --git a/src/particle.cpp b/src/particle.cpp
index 65e8065fd..4dbab3213 100644
--- a/src/particle.cpp
+++ b/src/particle.cpp
@@ -91,17 +91,25 @@ void Particle::create_secondary(
     return;
   }
 
-  secondary_bank().emplace_back();
-
-  auto& bank {secondary_bank().back()};
+  auto& bank = secondary_bank().emplace_back();
   bank.particle = type;
   bank.wgt = wgt;
   bank.r = r();
   bank.u = u;
   bank.E = settings::run_CE ? E : g();
   bank.time = time();
+  bank_second_E() += bank.E;
+}
 
-  n_bank_second() += 1;
+void Particle::split(double wgt)
+{
+  auto& bank = secondary_bank().emplace_back();
+  bank.particle = type();
+  bank.wgt = wgt;
+  bank.r = r();
+  bank.u = u();
+  bank.E = settings::run_CE ? E() : g();
+  bank.time = time();
 }
 
 void Particle::from_source(const SourceSite* src)
@@ -356,7 +364,7 @@ void Particle::event_collide()
 
   // Reset banked weight during collision
   n_bank() = 0;
-  n_bank_second() = 0;
+  bank_second_E() = 0.0;
   wgt_bank() = 0.0;
   zero_delayed_bank();
 
@@ -417,6 +425,7 @@ void Particle::event_revive_from_secondary()
     from_source(&secondary_bank().back());
     secondary_bank().pop_back();
     n_event() = 0;
+    bank_second_E() = 0.0;
 
     // Subtract secondary particle energy from interim pulse-height results
     if (!model::active_pulse_height_tallies.empty() &&
diff --git a/src/physics.cpp b/src/physics.cpp
index 34dc4ce1c..c324ce6b9 100644
--- a/src/physics.cpp
+++ b/src/physics.cpp
@@ -239,11 +239,10 @@ void create_fission_sites(Particle& p, int i_nuclide, const Reaction& rx)
     }
 
     // Write fission particles to nuBank
-    p.nu_bank().emplace_back();
-    NuBank* nu_bank_entry = &p.nu_bank().back();
-    nu_bank_entry->wgt = site.wgt;
-    nu_bank_entry->E = site.E;
-    nu_bank_entry->delayed_group = site.delayed_group;
+    NuBank& nu_bank_entry = p.nu_bank().emplace_back();
+    nu_bank_entry.wgt = site.wgt;
+    nu_bank_entry.E = site.E;
+    nu_bank_entry.delayed_group = site.delayed_group;
   }
 
   // If shared fission bank was full, and no fissions could be added,
diff --git a/src/physics_mg.cpp b/src/physics_mg.cpp
index e967afd79..e381b27c9 100644
--- a/src/physics_mg.cpp
+++ b/src/physics_mg.cpp
@@ -188,11 +188,10 @@ void create_fission_sites(Particle& p)
     }
 
     // Write fission particles to nuBank
-    p.nu_bank().emplace_back();
-    NuBank* nu_bank_entry = &p.nu_bank().back();
-    nu_bank_entry->wgt = site.wgt;
-    nu_bank_entry->E = site.E;
-    nu_bank_entry->delayed_group = site.delayed_group;
+    NuBank& nu_bank_entry = p.nu_bank().emplace_back();
+    nu_bank_entry.wgt = site.wgt;
+    nu_bank_entry.E = site.E;
+    nu_bank_entry.delayed_group = site.delayed_group;
   }
 
   // If shared fission bank was full, and no fissions could be added,
diff --git a/src/tallies/tally_scoring.cpp b/src/tallies/tally_scoring.cpp
index e798161ec..02cb48567 100644
--- a/src/tallies/tally_scoring.cpp
+++ b/src/tallies/tally_scoring.cpp
@@ -964,14 +964,9 @@ void score_general_ce_nonanalog(Particle& p, int i_tally, int start_index,
           // The energy deposited is the difference between the pre-collision
           // and post-collision energy...
           score = E - p.E();
-
           // ...less the energy of any secondary particles since they will be
           // transported individually later
-          const auto& bank = p.secondary_bank();
-          for (auto it = bank.end() - p.n_bank_second(); it < bank.end();
-               ++it) {
-            score -= it->E;
-          }
+          score -= p.bank_second_E();
 
           score *= p.wgt_last();
         } else {
@@ -1500,13 +1495,9 @@ void score_general_ce_analog(Particle& p, int i_tally, int start_index,
         // The energy deposited is the difference between the pre-collision and
         // post-collision energy...
         score = E - p.E();
-
         // ...less the energy of any secondary particles since they will be
         // transported individually later
-        const auto& bank = p.secondary_bank();
-        for (auto it = bank.end() - p.n_bank_second(); it < bank.end(); ++it) {
-          score -= it->E;
-        }
+        score -= p.bank_second_E();
 
         score *= p.wgt_last();
       }
diff --git a/src/track_output.cpp b/src/track_output.cpp
index 5c1436de7..f4344d50f 100644
--- a/src/track_output.cpp
+++ b/src/track_output.cpp
@@ -31,8 +31,8 @@ int n_tracks_written; //! Number of tracks written
 
 void add_particle_track(Particle& p)
 {
-  p.tracks().emplace_back();
-  p.tracks().back().particle = p.type();
+  auto& track = p.tracks().emplace_back();
+  track.particle = p.type();
 }
 
 void write_particle_track(Particle& p)
diff --git a/src/weight_windows.cpp b/src/weight_windows.cpp
index e798a2f7a..9579f71c0 100644
--- a/src/weight_windows.cpp
+++ b/src/weight_windows.cpp
@@ -114,7 +114,7 @@ void apply_weight_windows(Particle& p)
     // Create secondaries and divide weight among all particles
     int i_split = std::round(n_split);
     for (int l = 0; l < i_split - 1; l++) {
-      p.create_secondary(weight / n_split, p.u(), p.E(), p.type());
+      p.split(weight / n_split);
     }
     // remaining weight is applied to current particle
     p.wgt() = weight / n_split;
diff --git a/tests/unit_tests/weightwindows/test.py b/tests/unit_tests/weightwindows/test.py
index 79aadbef0..d6e509522 100644
--- a/tests/unit_tests/weightwindows/test.py
+++ b/tests/unit_tests/weightwindows/test.py
@@ -4,7 +4,6 @@ from pathlib import Path
 import numpy as np
 import pytest
 from uncertainties import ufloat
-
 import openmc
 import openmc.lib
 from openmc.stats import Discrete, Point
@@ -224,6 +223,47 @@ def test_lower_ww_bounds_shape():
     assert ww.lower_ww_bounds.shape == (2, 3, 4, 1)
 
 
+def test_photon_heating(run_in_tmpdir):
+    water = openmc.Material()
+    water.add_nuclide('H1', 1.0)
+    water.add_nuclide('O16', 2.0)
+    water.set_density('g/cm3', 1.0)
+
+    box = openmc.model.RectangularParallelepiped(
+        -300, 300, -300, 300, -300, 300, boundary_type='reflective')
+    cell = openmc.Cell(region=-box, fill=water)
+    model = openmc.Model()
+    model.geometry = openmc.Geometry([cell])
+
+    mesh = openmc.RegularMesh.from_domain(model.geometry, dimension=(5, 5, 5))
+    wwg = openmc.WeightWindowGenerator(mesh, particle_type='photon')
+    model.settings.weight_window_generators = [wwg]
+
+    space = openmc.stats.Point((0, 0, 0))
+    energy = openmc.stats.delta_function(5e6)
+    model.settings.source = openmc.IndependentSource(
+        space=space, energy=energy, particle='photon')
+
+    model.settings.run_mode = 'fixed source'
+    model.settings.batches = 5
+    model.settings.particles = 100
+
+    tally = openmc.Tally()
+    tally.scores = ['heating']
+    tally.filters = [
+        openmc.ParticleFilter(['photon']),
+        openmc.MeshFilter(mesh)
+    ]
+    model.tallies = [tally]
+
+    sp_file = model.run()
+    with openmc.StatePoint(sp_file) as sp:
+        tally_mean = sp.tallies[tally.id].mean
+
+    # these values should be nearly identical
+    assert np.all(tally_mean >= 0)
+
+
 def test_roundtrip(run_in_tmpdir, model, wws):
     model.settings.weight_windows = wws
 
@@ -249,11 +289,11 @@ def test_ww_attrs_python(model):
     # is successful
     wws = openmc.WeightWindows(mesh, lower_bounds, upper_bound_ratio=10.0)
 
-    assert wws.energy_bounds == None
+    assert wws.energy_bounds is None
 
     wwg = openmc.WeightWindowGenerator(mesh)
 
-    assert wwg.energy_bounds == None
+    assert wwg.energy_bounds is None
 
 def test_ww_attrs_capi(run_in_tmpdir, model):
     model.export_to_xml()

From 2bea7f338b63c59e9a49f27989c6e9e71299a584 Mon Sep 17 00:00:00 2001
From: Andrew Davis <andrew.davis@ukaea.uk>
Date: Sat, 25 Jan 2025 01:59:52 +0000
Subject: [PATCH 2223/2654] Added missing documentation (#3275)

Co-authored-by: Jonathan Shimwell <mail@jshimwell.com>
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 docs/source/io_formats/settings.rst | 20 +++++++++++++++++++-
 1 file changed, 19 insertions(+), 1 deletion(-)

diff --git a/docs/source/io_formats/settings.rst b/docs/source/io_formats/settings.rst
index 34b73fc55..06149318e 100644
--- a/docs/source/io_formats/settings.rst
+++ b/docs/source/io_formats/settings.rst
@@ -252,11 +252,29 @@ to false.
 
   *Default*: true
 
+--------------------------------
+``<max_lost_particles>`` Element
+--------------------------------
+
+This element indicates the maximum number of lost particles.
+
+  *Default*: 10
+
+------------------------------------
+``<rel_max_lost_particles>`` Element
+------------------------------------
+
+
+This element indicates the maximum number of lost particles, relative to the
+total number of particles.
+
+  *Default*: 1.0e-6
+
 -------------------------------------
 ``<max_particles_in_flight>`` Element
 -------------------------------------
 
-This element indicates the number of neutrons to run in flight concurrently
+This element indicates the number of particles to run in flight concurrently
 when using event-based parallelism. A higher value uses more memory, but
 may be more efficient computationally.
 

From a8768b78450d3f2d480062d441c10e0c30eec254 Mon Sep 17 00:00:00 2001
From: John Tramm <john.tramm@gmail.com>
Date: Mon, 27 Jan 2025 22:54:32 -0600
Subject: [PATCH 2224/2654] FW-CADIS Weight Window Generation with Random Ray
 (#3273)

Co-authored-by: Olek <45364492+yardasol@users.noreply.github.com>
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 docs/source/io_formats/settings.rst           |   2 +-
 docs/source/methods/index.rst                 |   1 +
 docs/source/methods/random_ray.rst            |   2 +
 docs/source/methods/variance_reduction.rst    | 134 ++++++
 docs/source/usersguide/index.rst              |   1 +
 docs/source/usersguide/random_ray.rst         | 191 +++++++-
 docs/source/usersguide/variance_reduction.rst | 162 +++++++
 include/openmc/weight_windows.h               |  20 +-
 openmc/weight_windows.py                      |  16 +-
 src/random_ray/random_ray_simulation.cpp      |   1 +
 src/weight_windows.cpp                        | 121 +++--
 .../weightwindows_fw_cadis/__init__.py        |   0
 .../weightwindows_fw_cadis/inputs_true.dat    | 260 +++++++++++
 .../weightwindows_fw_cadis/results_true.dat   | 442 ++++++++++++++++++
 .../weightwindows_fw_cadis/test.py            |  33 ++
 tests/testing_harness.py                      |  34 ++
 16 files changed, 1351 insertions(+), 69 deletions(-)
 create mode 100644 docs/source/methods/variance_reduction.rst
 create mode 100644 docs/source/usersguide/variance_reduction.rst
 create mode 100644 tests/regression_tests/weightwindows_fw_cadis/__init__.py
 create mode 100644 tests/regression_tests/weightwindows_fw_cadis/inputs_true.dat
 create mode 100644 tests/regression_tests/weightwindows_fw_cadis/results_true.dat
 create mode 100644 tests/regression_tests/weightwindows_fw_cadis/test.py

diff --git a/docs/source/io_formats/settings.rst b/docs/source/io_formats/settings.rst
index 06149318e..4da57fe2a 100644
--- a/docs/source/io_formats/settings.rst
+++ b/docs/source/io_formats/settings.rst
@@ -1398,7 +1398,7 @@ mesh-based weight windows.
     *Default*: true
 
   :method:
-    Method used to update weight window values (currently only 'magic' is supported)
+    Method used to update weight window values (one of 'magic' or 'fw_cadis')
 
     *Default*: magic
 
diff --git a/docs/source/methods/index.rst b/docs/source/methods/index.rst
index 08aa7d053..75c421c87 100644
--- a/docs/source/methods/index.rst
+++ b/docs/source/methods/index.rst
@@ -20,4 +20,5 @@ Theory and Methodology
     energy_deposition
     parallelization
     cmfd
+    variance_reduction
     random_ray
\ No newline at end of file
diff --git a/docs/source/methods/random_ray.rst b/docs/source/methods/random_ray.rst
index c827c351d..eb22b0544 100644
--- a/docs/source/methods/random_ray.rst
+++ b/docs/source/methods/random_ray.rst
@@ -1060,6 +1060,8 @@ random ray and Monte Carlo, however.
   develop the scattering source by way of inactive batches before beginning
   active batches.
 
+.. _adjoint:
+
 ------------------------
 Adjoint Flux Solver Mode
 ------------------------
diff --git a/docs/source/methods/variance_reduction.rst b/docs/source/methods/variance_reduction.rst
new file mode 100644
index 000000000..353ae5077
--- /dev/null
+++ b/docs/source/methods/variance_reduction.rst
@@ -0,0 +1,134 @@
+.. _methods_variance_reduction:
+
+==================
+Variance Reduction
+==================
+
+.. _methods_variance_reduction_intro:
+
+------------
+Introduction
+------------
+
+Transport problems can sometimes involve a significant degree of attenuation
+between the source and a detector (tally) region, which can result in a flux
+differential of ten orders of magnitude (or more) throughout the simulation
+domain. As Monte Carlo uncertainties tend to be inversely proportional to the
+physical flux density, it can be extremely difficult to accurately resolve
+tallies in locations that are optically far from the source. This issue is
+particularly common in fixed source simulations, where some tally locations may
+not experience a single scoring event, even after billions of analog histories.
+
+Variance reduction techniques aim to either flatten the global uncertainty
+distribution, such that all regions of phase space have a fairly similar
+uncertainty, or to reduce the uncertainty in specific locations (such as a
+detector). There are two strategies available in OpenMC for variance reduction:
+the Monte Carlo MAGIC method and the FW-CADIS method. Both strategies work by
+developing a weight window mesh that can be utilized by subsequent Monte Carlo
+solves to split particles heading towards areas of lower flux densities while
+terminating particles in higher flux regions---all while maintaining a fair
+game.
+
+------------
+MAGIC Method
+------------
+
+The Method of Automatic Generation of Importances by Calculation, or `MAGIC
+method <https://doi.org/10.1016/j.fusengdes.2011.01.059>`_, is an iterative
+technique that uses spatial flux information :math:`\phi(r)` obtained from a
+normal Monte Carlo solve to produce weight windows :math:`w(r)` that can be
+utilized by a subsequent iteration of Monte Carlo. While the first generation of
+weight windows produced may only help to reduce variance slightly, use of these
+weights to generate another set of weight windows results in a progressively
+improving iterative scheme.
+
+Equation :eq:`magic` defines how the lower bound of weight windows
+:math:`w_{\ell}(r)` are generated with MAGIC using forward flux information.
+Here, we can see that the flux at location :math:`r` is normalized by the
+maximum flux in any group at that location. We can also see that the weights are
+divided by a factor of two, which accounts for the typical :math:`5\times`
+factor separating the lower and upper weight window bounds in OpenMC.
+
+.. math::
+    :label: magic
+
+    w_{\ell}(r) = \frac{\phi(r)}{2\,\text{max}(\phi(r))}
+
+A major advantage of this technique is that it does not require any special
+transport machinery; it simply uses multiple Monte Carlo simulations to
+iteratively improve a set of weight windows (which are typically defined on a
+mesh covering the simulation domain). The downside to this method is that as the
+flux differential increases between areas near and far from the source, it
+requires more outer Monte Carlo iterations, each of which can be expensive in
+itself. Additionally, computation of weight windows based on regular (forward)
+neutron flux tally information does not produce the most numerically effective
+set of weight windows. Nonetheless, MAGIC remains a simple and effective
+technique for generating weight windows.
+
+--------
+FW-CADIS
+--------
+
+As discussed in the previous section, computation of weight windows based on
+regular (forward) neutron flux tally information does not produce the most
+numerically efficient set of weight windows. It is highly preferable to generate
+weight windows based on spatial adjoint flux :math:`\phi^{\dag}(r)`
+information. The adjoint flux is essentially the "reverse" simulation problem,
+where we sample a random point and assume this is where a particle was absorbed,
+and then trace it backwards (upscattering in energy), until we sample the point
+where it was born from.
+
+The Forward-Weighted Consistent Adjoint Driven Importance Sampling method, or
+`FW-CADIS method <https://doi.org/10.13182/NSE12-33>`_, produces weight windows
+for global variance reduction given adjoint flux information throughout the
+entire domain. The weight window lower bound is defined in Equation
+:eq:`fw_cadis`, and also involves a normalization step not shown here.
+
+.. math::
+    :label: fw_cadis
+
+    w_{\ell}(r) = \frac{1}{2\phi^{\dag}(r)}
+
+While the algorithm itself is quite simple, it requires estimates of the global
+adjoint flux distribution, which is difficult to generate directly with Monte
+Carlo transport. Thus, FW-CADIS typically uses an alternative solver (often
+deterministic) that can be more readily adapted for generating adjoint flux
+information, and which is often much cheaper than Monte Carlo given that a rough
+solution is often sufficient for weight window generation.
+
+The FW-CADIS implementation in OpenMC utilizes its own internal random ray
+multigroup transport solver to generate the adjoint source distribution. No
+coupling to any external transport is solver is necessary. The random ray solver
+operates on the same geometry as the Monte Carlo solver, so no redefinition of
+the simulation geometry is required. More details on how the adjoint flux is
+computed are given in the :ref:`adjoint methods section <adjoint>`.
+
+More information on the workflow is available in the :ref:`user guide
+<variance_reduction>`, but generally production of weight windows with FW-CADIS
+involves several stages (some of which are highly automated). These tasks
+include generation of approximate multigroup cross section data for use by the
+random ray solver, running of the random ray solver in normal (forward flux)
+mode to generate a source for the adjoint solver, running of the random ray
+solver in adjoint mode to generate adjoint flux tallies, and finally the
+production of weight windows via the FW-CADIS method. As is discussed in the
+user guide, most of these steps are automated together, making the additional
+burden on the user fairly small.
+
+The major advantage of this technique is that it typically produces much more
+numerically efficient weight windows as compared to those generated with MAGIC,
+sometimes with an order-of-magnitude improvement in the figure of merit
+(Equation :eq:`variance_fom`), which accounts for both the variance and the
+execution time. Another major advantage is that the cost of the random ray
+solver is typically negligible compared to the cost of the subsequent Monte
+Carlo solve itself, making it a very cheap method to deploy. The downside to
+this method is that it introduces a second transport method into the mix (random
+ray), such that there are more free input parameters for the user to know about
+and adjust, potentially making the method more complex to use. However, as many
+of the parameters have natural choices, much of this parameterization can be
+handled automatically behind the scenes without the need for the user to be
+aware of this.
+
+.. math::
+    :label: variance_fom
+
+    \text{FOM} = \frac{1}{\text{Time} \times \sigma^2}
diff --git a/docs/source/usersguide/index.rst b/docs/source/usersguide/index.rst
index 03a77e870..74651c011 100644
--- a/docs/source/usersguide/index.rst
+++ b/docs/source/usersguide/index.rst
@@ -25,6 +25,7 @@ essential aspects of using OpenMC to perform simulations.
     processing
     parallel
     volume
+    variance_reduction
     random_ray
     troubleshoot
     
\ No newline at end of file
diff --git a/docs/source/usersguide/random_ray.rst b/docs/source/usersguide/random_ray.rst
index 2b9cf6724..b6852b7ca 100644
--- a/docs/source/usersguide/random_ray.rst
+++ b/docs/source/usersguide/random_ray.rst
@@ -435,10 +435,11 @@ Inputting Multigroup Cross Sections (MGXS)
 Multigroup cross sections for use with OpenMC's random ray solver are input the
 same way as with OpenMC's traditional multigroup Monte Carlo mode. There is more
 information on generating multigroup cross sections via OpenMC in the
-:ref:`multigroup materials <create_mgxs>` user guide. You may also wish to
-use an existing multigroup library. An example of using OpenMC's Python
-interface to generate a correctly formatted ``mgxs.h5`` input file is given
-in the `OpenMC Jupyter notebook collection
+:ref:`multigroup materials <create_mgxs>` user guide. You may also wish to use
+an existing ``mgxs.h5`` MGXS library file, or define your own given a known set
+of cross section data values (e.g., as taken from a benchmark specification). An
+example of using OpenMC's Python interface to generate a correctly formatted
+``mgxs.h5`` input file is given in the `OpenMC Jupyter notebook collection
 <https://nbviewer.org/github/openmc-dev/openmc-notebooks/blob/main/mg-mode-part-i.ipynb>`_.
 
 .. note::
@@ -447,6 +448,184 @@ in the `OpenMC Jupyter notebook collection
     separate materials can be defined each with a separate multigroup dataset
     corresponding to a given temperature.
 
+.. _mgxs_gen:
+
+-------------------------------------------
+Generating Multigroup Cross Sections (MGXS)
+-------------------------------------------
+
+OpenMC is capable of generating multigroup cross sections by way of flux
+collapsing data based on flux solutions obtained from a continuous energy Monte
+Carlo solve. While it is a circular excercise in some respects to use continuous
+energy Monte Carlo to generate cross sections to be used by a reduced-fidelity
+multigroup transport solver, there are many use cases where this is nonetheless
+highly desirable. For instance, generation of a multigroup library may enable
+the same set of approximate multigroup cross section data to be used across a
+variety of problem types (or through a multidimensional parameter sweep of
+design variables) with only modest errors and at greatly reduced cost as
+compared to using only continuous energy Monte Carlo.
+
+We give here a quick summary of how to produce a multigroup cross section data
+file (``mgxs.h5``) from a starting point of a typical continuous energy Monte
+Carlo input file. Notably, continuous energy input files define materials as a
+mixture of nuclides with different densities, whereas multigroup materials are
+simply defined by which name they correspond to in a ``mgxs.h5`` library file.
+
+To generate the cross section data, we begin with a continuous energy Monte
+Carlo input deck and add in the required tallies that will be needed to generate
+our library. In this example, we will specify material-wise cross sections and a
+two group energy decomposition::
+
+  # Define geometry
+  ...
+  ...
+  geometry = openmc.Geometry()
+  ...
+  ...
+
+  # Initialize MGXS library with a finished OpenMC geometry object
+  mgxs_lib = openmc.mgxs.Library(geometry)
+
+  # Pick energy group structure
+  groups = mgxs.EnergyGroups(mgxs.GROUP_STRUCTURES['CASMO-2'])
+  mgxs_lib.energy_groups = groups
+
+  # Disable transport correction
+  mgxs_lib.correction = None
+
+  # Specify needed cross sections for random ray
+  mgxs_lib.mgxs_types = ['total', 'absorption', 'nu-fission', 'fission',
+                      'nu-scatter matrix', 'multiplicity matrix', 'chi']
+
+  # Specify a "cell" domain type for the cross section tally filters
+  mgxs_lib.domain_type = "material"
+
+  # Specify the cell domains over which to compute multi-group cross sections
+  mgxs_lib.domains = geom.get_all_materials().values()
+
+  # Do not compute cross sections on a nuclide-by-nuclide basis
+  mgxs_lib.by_nuclide = False
+
+  # Check the library - if no errors are raised, then the library is satisfactory.
+  mgxs_lib.check_library_for_openmc_mgxs()
+
+  # Construct all tallies needed for the multi-group cross section library
+  mgxs_lib.build_library()
+
+  # Create a "tallies.xml" file for the MGXS Library
+  tallies = openmc.Tallies()
+  mgxs_lib.add_to_tallies_file(tallies, merge=True)
+
+  # Export
+  tallies.export_to_xml()
+
+  ...
+
+When selecting an energy decomposition, you can manually define group boundaries
+or pick out a group structure already known to OpenMC (a list of which can be
+found at :class:`openmc.mgxs.GROUP_STRUCTURES`). Once the above input deck has
+been run, the resulting statepoint file will contain the needed flux and
+reaction rate tally data so that a MGXS library file can be generated. Below is
+the postprocessing script needed to generate the ``mgxs.h5`` library file given
+a statepoint file (e.g., ``statepoint.100.h5``) file and summary file (e.g.,
+``summary.h5``) that resulted from running our previous example::
+
+  import openmc
+  import openmc.mgxs as mgxs
+
+  summary = openmc.Summary('summary.h5')
+  geom = summary.geometry
+  mats = summary.materials
+
+  statepoint_filename = 'statepoint.100.h5'
+  sp = openmc.StatePoint(statepoint_filename)
+
+  groups = mgxs.EnergyGroups(mgxs.GROUP_STRUCTURES['CASMO-2'])
+  mgxs_lib = openmc.mgxs.Library(geom)
+  mgxs_lib.energy_groups = groups
+  mgxs_lib.correction = None
+  mgxs_lib.mgxs_types = ['total', 'absorption', 'nu-fission', 'fission',
+                          'nu-scatter matrix', 'multiplicity matrix', 'chi']
+
+  # Specify a "cell" domain type for the cross section tally filters
+  mgxs_lib.domain_type = "material"
+
+  # Specify the cell domains over which to compute multi-group cross sections
+  mgxs_lib.domains = geom.get_all_materials().values()
+
+  # Do not compute cross sections on a nuclide-by-nuclide basis
+  mgxs_lib.by_nuclide = False
+
+  # Check the library - if no errors are raised, then the library is satisfactory.
+  mgxs_lib.check_library_for_openmc_mgxs()
+
+  # Construct all tallies needed for the multi-group cross section library
+  mgxs_lib.build_library()
+
+  mgxs_lib.load_from_statepoint(sp)
+
+  names = []
+  for mat in mgxs_lib.domains: names.append(mat.name)
+
+  # Create a MGXS File which can then be written to disk
+  mgxs_file = mgxs_lib.create_mg_library(xs_type='macro', xsdata_names=names)
+
+  # Write the file to disk using the default filename of "mgxs.h5"
+  mgxs_file.export_to_hdf5("mgxs.h5")
+
+Notably, the postprocessing script needs to match the same
+:class:`openmc.mgxs.Library` settings that were used to generate the tallies,
+but otherwise is able to discern the rest of the simulation details from the
+statepoint and summary files. Once the postprocessing script is successfully
+run, the ``mgxs.h5`` file can be loaded by subsequent runs of OpenMC.
+
+If you want to convert continuous energy material objects in an OpenMC input
+deck to multigroup ones from a ``mgxs.h5`` library, you can follow the below
+example. Here we begin with the original continuous energy materials we used to
+generate our MGXS library::
+
+    fuel = openmc.Material(name='UO2 (2.4%)')
+    fuel.set_density('g/cm3', 10.29769)
+    fuel.add_nuclide('U234', 4.4843e-6)
+    fuel.add_nuclide('U235', 5.5815e-4)
+    fuel.add_nuclide('U238', 2.2408e-2)
+    fuel.add_nuclide('O16', 4.5829e-2)
+
+    water = openmc.Material(name='Hot borated water')
+    water.set_density('g/cm3', 0.740582)
+    water.add_nuclide('H1', 4.9457e-2)
+    water.add_nuclide('O16', 2.4672e-2)
+    water.add_nuclide('B10', 8.0042e-6)
+    water.add_nuclide('B11', 3.2218e-5)
+    water.add_s_alpha_beta('c_H_in_H2O')
+
+    materials = openmc.Materials([fuel, water])
+
+Once the ``mgxs.h5`` library file has been generated, we can then manually make
+the necessary edits to the material definitions so that they load from the
+multigroup library instead of defining their isotopic contents, as::
+
+    # Instantiate some Macroscopic Data
+    fuel_data = openmc.Macroscopic('UO2 (2.4%)')
+    water_data = openmc.Macroscopic('Hot borated water')
+
+    # Instantiate some Materials and register the appropriate Macroscopic objects
+    fuel= openmc.Material(name='UO2 (2.4%)')
+    fuel.set_density('macro', 1.0)
+    fuel.add_macroscopic(fuel_data)
+
+    water= openmc.Material(name='Hot borated water')
+    water.set_density('macro', 1.0)
+    water.add_macroscopic(water_data)
+
+    # Instantiate a Materials collection and export to XML
+    materials = openmc.Materials([fuel, water])
+    materials.cross_sections = "mgxs.h5"
+
+In the above example, our ``fuel`` and ``water`` materials will now load MGXS
+data from the ``mgxs.h5`` file instead of loading continuous energy isotopic
+cross section data.
+
 --------------
 Linear Sources
 --------------
@@ -597,9 +776,7 @@ estimator, the following code would be used:
 Adjoint Flux Mode
 -----------------
 
-The adjoint flux random ray solver mode can be enabled as:
-entire
-::
+The adjoint flux random ray solver mode can be enabled as::
 
     settings.random_ray['adjoint'] = True
 
diff --git a/docs/source/usersguide/variance_reduction.rst b/docs/source/usersguide/variance_reduction.rst
new file mode 100644
index 000000000..124f34203
--- /dev/null
+++ b/docs/source/usersguide/variance_reduction.rst
@@ -0,0 +1,162 @@
+.. _variance_reduction:
+
+==================
+Variance Reduction
+==================
+
+Global variance reduction in OpenMC is accomplished by weight windowing
+techniques. OpenMC is capable of generating weight windows using either the
+MAGIC or FW-CADIS methods. Both techniques will produce a ``weight_windows.h5``
+file that can be loaded and used later on. In this section, we break down the
+steps required to both generate and then apply weight windows.
+
+.. _ww_generator:
+
+------------------------------------
+Generating Weight Windows with MAGIC
+------------------------------------
+
+As discussed in the :ref:`methods section <methods_variance_reduction>`, MAGIC
+is an iterative method that uses flux tally information from a Monte Carlo
+simulation to produce weight windows for a user-defined mesh. While generating
+the weight windows, OpenMC is capable of applying the weight windows generated
+from a previous batch while processing the next batch, allowing for progressive
+improvement in the weight window quality across iterations.
+
+The typical way of generating weight windows is to define a mesh and then add an
+:class:`openmc.WeightWindowGenerator` object to an :attr:`openmc.Settings`
+instance, as follows::
+
+    # Define weight window spatial mesh
+    ww_mesh = openmc.RegularMesh()
+    ww_mesh.dimension = (10, 10, 10)
+    ww_mesh.lower_left = (0.0, 0.0, 0.0)
+    ww_mesh.upper_right = (100.0, 100.0, 100.0)
+
+    # Create weight window object and adjust parameters
+    wwg = openmc.WeightWindowGenerator(
+        method='magic',
+        mesh=ww_mesh,
+        max_realizations=settings.batches
+    )
+
+    # Add generator to Settings instance
+    settings.weight_window_generators = wwg
+
+Notably, the :attr:`max_realizations` attribute is adjusted to the number of
+batches, such that all iterations are used to refine the weight window
+parameters.
+
+With the :class:`~openmc.WeightWindowGenerator` instance added to the
+:attr:`~openmc.Settings`, the rest of the problem can be defined as normal. When
+running, note that the second iteration and beyond may be several orders of
+magnitude slower than the first. As the weight windows are applied in each
+iteration, particles may be agressively split, resulting in a large number of
+secondary (split) particles being generated per initial source particle. This is
+not necessarily a bad thing, as the split particles are much more efficient at
+exploring low flux regions of phase space as compared to initial particles.
+Thus, even though the reported "particles/second" metric of OpenMC may be much
+lower when generating (or just applying) weight windows as compared to analog
+MC, it typically leads to an overall improvement in the figure of merit
+accounting for the reduction in the variance.
+
+.. warning::
+    The number of particles per batch may need to be adjusted downward
+    significantly to result in reasonable runtimes when weight windows are being
+    generated or used.
+
+At the end of the simulation, a ``weight_windows.h5`` file will be saved to disk
+for later use. Loading it in another subsequent simulation will be discussed in
+the "Using Weight Windows" section below.
+
+------------------------------------------------------
+Generating Weight Windows with FW-CADIS and Random Ray
+------------------------------------------------------
+
+Weight window generation with FW-CADIS and random ray in OpenMC uses the same
+exact strategy as with MAGIC. An :class:`openmc.WeightWindowGenerator` object is
+added to the :attr:`openmc.Settings` object, and a ``weight_windows.h5`` will be
+generated at the end of the simulation. The only difference is that the code
+must be run in random ray mode. A full description of how to enable and setup
+random ray mode can be found in the :ref:`Random Ray User Guide <random_ray>`.
+
+.. note::
+    It is a long term goal for OpenMC to be able to generate FW-CADIS weight
+    windows with only a few tweaks to an existing continuous energy Monte Carlo
+    input deck. However, at the present time, the workflow requires several
+    steps to generate multigroup cross section data and to configure the random
+    ray solver. A high level overview of the current workflow for generation of
+    weight windows with FW-CADIS using random ray is given below.
+
+1. Produce approximate multigroup cross section data (stored in a ``mgxs.h5``
+   library). There is more information on generating multigroup cross sections
+   via OpenMC in the :ref:`multigroup materials <create_mgxs>` user guide, and a
+   specific example of generating cross section data for use with random ray in
+   the :ref:`random ray MGXS guide <mgxs_gen>`.
+
+2. Make a copy of your continuous energy Python input file. You'll edit the new
+   file to work in multigroup mode with random ray for producing weight windows.
+
+3. Adjust the material definitions in your new multigroup Python file to utilize
+   the multigroup cross sections instead of nuclide-wise continuous energy data.
+   There is a specific example of making this conversion in the :ref:`random ray
+   MGXS guide <mgxs_gen>`.
+
+4. Configure OpenMC to run in random ray mode (by adding several standard random
+   ray input flags and settings to the :attr:`openmc.Settings.random_ray`
+   dictionary). More information can be found in the  :ref:`Random Ray User
+   Guide <random_ray>`.
+
+5. Add in a :class:`~openmc.WeightWindowGenerator` in a similar manner as for
+   MAGIC generation with Monte Carlo and set the :attr:`method` attribute set to
+   ``"fw_cadis"``::
+
+       # Define weight window spatial mesh
+       ww_mesh = openmc.RegularMesh()
+       ww_mesh.dimension = (10, 10, 10)
+       ww_mesh.lower_left = (0.0, 0.0, 0.0)
+       ww_mesh.upper_right = (100.0, 100.0, 100.0)
+
+       # Create weight window object and adjust parameters
+       wwg = openmc.WeightWindowGenerator(
+           method='fw_cadis',
+           mesh=ww_mesh,
+           max_realizations=settings.batches
+       )
+
+       # Add generator to openmc.settings object
+       settings.weight_window_generators = wwg
+
+
+.. warning::
+    If using FW-CADIS weight window generation, ensure that the selected weight
+    window mesh does not subdivide any cells in the problem. In the future, this
+    restriction is intended to be relaxed, but for now subdivision of cells by a
+    mesh tally will result in undefined behavior.
+
+6. When running your multigroup random ray input deck, OpenMC will automatically
+   run a forward solve followed by an adjoint solve, with a
+   ``weight_windows.h5`` file generated at the end. The ``weight_windows.h5``
+   file will contain FW-CADIS generated weight windows. This file can be used in
+   identical manner as one generated with MAGIC, as described below.
+
+--------------------
+Using Weight Windows
+--------------------
+
+To use a ``weight_windows.h5`` weight window file with OpenMC's Monte Carlo
+solver, the Python input just needs to load the h5 file::
+
+    settings.weight_window_checkpoints = {'collision': True, 'surface': True}
+    settings.survival_biasing = False
+    settings.weight_windows = openmc.hdf5_to_wws('weight_windows.h5')
+    settings.weight_windows_on = True
+
+The :class:`~openmc.WeightWindowGenerator` instance is not needed to load an
+existing ``weight_windows.h5`` file. Inclusion of a
+:class:`~openmc.WeightWindowGenerator` instance will cause OpenMC to generate
+*new* weight windows and thus overwrite the existing ``weight_windows.h5`` file.
+Weight window mesh information is embedded into the weight window file, so the
+mesh does not need to be redefined. Monte Carlo solves that load a weight window
+file as above will utilize weight windows to reduce the variance of the
+simulation.
diff --git a/include/openmc/weight_windows.h b/include/openmc/weight_windows.h
index 9852fe679..2d4d55694 100644
--- a/include/openmc/weight_windows.h
+++ b/include/openmc/weight_windows.h
@@ -17,9 +17,7 @@
 
 namespace openmc {
 
-enum class WeightWindowUpdateMethod {
-  MAGIC,
-};
+enum class WeightWindowUpdateMethod { MAGIC, FW_CADIS };
 
 //==============================================================================
 // Constants
@@ -127,8 +125,9 @@ public:
   //! \param[in] threshold Relative error threshold. Results over this
   //! threshold will be ignored \param[in] ratio Ratio of upper to lower
   //! weight window bounds
-  void update_magic(const Tally* tally, const std::string& value = "mean",
-    double threshold = 1.0, double ratio = 5.0);
+  void update_weights(const Tally* tally, const std::string& value = "mean",
+    double threshold = 1.0, double ratio = 5.0,
+    WeightWindowUpdateMethod method = WeightWindowUpdateMethod::MAGIC);
 
   // NOTE: This is unused for now but may be used in the future
   //! Write weight window settings to an HDF5 file
@@ -221,12 +220,11 @@ public:
   void create_tally();
 
   // Data members
-  int32_t tally_idx_;  //!< Index of the tally used to update the weight windows
-  int32_t ww_idx_;     //!< Index of the weight windows object being generated
-  std::string method_; //!< Method used to update weight window. Only "magic"
-                       //!< is valid for now.
-  int32_t max_realizations_; //!< Maximum number of tally realizations
-  int32_t update_interval_;  //!< Determines how often updates occur
+  int32_t tally_idx_; //!< Index of the tally used to update the weight windows
+  int32_t ww_idx_;    //!< Index of the weight windows object being generated
+  WeightWindowUpdateMethod method_; //!< Method used to update weight window.
+  int32_t max_realizations_;        //!< Maximum number of tally realizations
+  int32_t update_interval_;         //!< Determines how often updates occur
   bool on_the_fly_; //!< Whether or not to keep tally results between batches or
                     //!< realizations
 
diff --git a/openmc/weight_windows.py b/openmc/weight_windows.py
index 1ddbfe10f..0502d309f 100644
--- a/openmc/weight_windows.py
+++ b/openmc/weight_windows.py
@@ -660,9 +660,8 @@ class WeightWindowGenerator:
         maximum and minimum energy for the data available at runtime.
     particle_type : {'neutron', 'photon'}
         Particle type the weight windows apply to
-    method : {'magic'}
-        The weight window generation methodology applied during an update. Only
-        'magic' is currently supported.
+    method : {'magic', 'fw_cadis'}
+        The weight window generation methodology applied during an update.
     max_realizations : int
         The upper limit for number of tally realizations when generating weight
         windows.
@@ -680,9 +679,8 @@ class WeightWindowGenerator:
         energies in [eV] for a single bin
     particle_type : {'neutron', 'photon'}
         Particle type the weight windows apply to
-    method : {'magic'}
-        The weight window generation methodology applied during an update. Only
-        'magic' is currently supported.
+    method : {'magic', 'fw_cadis'}
+        The weight window generation methodology applied during an update.
     max_realizations : int
         The upper limit for number of tally realizations when generating weight
         windows.
@@ -767,7 +765,7 @@ class WeightWindowGenerator:
     @method.setter
     def method(self, m: str):
         cv.check_type('generation method', m, str)
-        cv.check_value('generation method', m, {'magic'})
+        cv.check_value('generation method', m, ('magic', 'fw_cadis'))
         self._method = m
         if self._update_parameters is not None:
             try:
@@ -800,7 +798,7 @@ class WeightWindowGenerator:
         return self._update_parameters
 
     def _check_update_parameters(self, params: dict):
-        if self.method == 'magic':
+        if self.method == 'magic' or self.method == 'fw_cadis':
             check_params = self._MAGIC_PARAMS
 
         for key, val in params.items():
@@ -843,7 +841,7 @@ class WeightWindowGenerator:
         update_parameters : dict
             The update parameters as-read from the XML node (keys: str, values: str)
         """
-        if method == 'magic':
+        if method == 'magic' or method == 'fw_cadis':
             check_params = cls._MAGIC_PARAMS
 
         for param, param_type in check_params.items():
diff --git a/src/random_ray/random_ray_simulation.cpp b/src/random_ray/random_ray_simulation.cpp
index a9180c68e..a8e6d1b82 100644
--- a/src/random_ray/random_ray_simulation.cpp
+++ b/src/random_ray/random_ray_simulation.cpp
@@ -173,6 +173,7 @@ void validate_random_ray_inputs()
       case FilterType::MATERIAL:
       case FilterType::MESH:
       case FilterType::UNIVERSE:
+      case FilterType::PARTICLE:
         break;
       default:
         fatal_error("Invalid filter specified. Only cell, cell_instance, "
diff --git a/src/weight_windows.cpp b/src/weight_windows.cpp
index 9579f71c0..19ae7c077 100644
--- a/src/weight_windows.cpp
+++ b/src/weight_windows.cpp
@@ -22,6 +22,7 @@
 #include "openmc/particle.h"
 #include "openmc/particle_data.h"
 #include "openmc/physics_common.h"
+#include "openmc/random_ray/flat_source_domain.h"
 #include "openmc/search.h"
 #include "openmc/settings.h"
 #include "openmc/tallies/filter_energy.h"
@@ -482,8 +483,8 @@ void WeightWindows::set_bounds(
   upper_ww_ *= ratio;
 }
 
-void WeightWindows::update_magic(
-  const Tally* tally, const std::string& value, double threshold, double ratio)
+void WeightWindows::update_weights(const Tally* tally, const std::string& value,
+  double threshold, double ratio, WeightWindowUpdateMethod method)
 {
   ///////////////////////////
   // Setup and checks
@@ -624,20 +625,44 @@ void WeightWindows::update_magic(
   auto mesh_vols = this->mesh()->volumes();
 
   int e_bins = new_bounds.shape()[0];
-  for (int e = 0; e < e_bins; e++) {
-    // select all
-    auto group_view = xt::view(new_bounds, e);
 
-    // divide by volume of mesh elements
-    for (int i = 0; i < group_view.size(); i++) {
-      group_view[i] /= mesh_vols[i];
+  if (method == WeightWindowUpdateMethod::MAGIC) {
+    // If we are computing weight windows with forward fluxes derived from a
+    // Monte Carlo or forward random ray solve, we use the MAGIC algorithm.
+    for (int e = 0; e < e_bins; e++) {
+      // select all
+      auto group_view = xt::view(new_bounds, e);
+
+      // divide by volume of mesh elements
+      for (int i = 0; i < group_view.size(); i++) {
+        group_view[i] /= mesh_vols[i];
+      }
+
+      double group_max =
+        *std::max_element(group_view.begin(), group_view.end());
+      // normalize values in this energy group by the maximum value for this
+      // group
+      if (group_max > 0.0)
+        group_view /= 2.0 * group_max;
+    }
+  } else {
+    // If we are computing weight windows with adjoint fluxes derived from an
+    // adjoint random ray solve, we use the FW-CADIS algorithm.
+    for (int e = 0; e < e_bins; e++) {
+      // select all
+      auto group_view = xt::view(new_bounds, e);
+
+      // divide by volume of mesh elements
+      for (int i = 0; i < group_view.size(); i++) {
+        group_view[i] /= mesh_vols[i];
+      }
     }
 
-    double group_max = *std::max_element(group_view.begin(), group_view.end());
-    // normalize values in this energy group by the maximum value for this
-    // group
-    if (group_max > 0.0)
-      group_view /= 2.0 * group_max;
+    xt::noalias(new_bounds) = 1.0 / new_bounds;
+
+    auto max_val = xt::amax(new_bounds)();
+
+    xt::noalias(new_bounds) = new_bounds / (2.0 * max_val);
   }
 
   // make sure that values where the mean is zero are set s.t. the weight window
@@ -760,38 +785,52 @@ WeightWindowsGenerator::WeightWindowsGenerator(pugi::xml_node node)
     e_bounds.push_back(data::energy_max[p_type]);
   }
 
-  // set method and parameters for updates
-  method_ = get_node_value(node, "method");
-  if (method_ == "magic") {
-    // parse non-default update parameters if specified
-    if (check_for_node(node, "update_parameters")) {
-      pugi::xml_node params_node = node.child("update_parameters");
-      if (check_for_node(params_node, "value"))
-        tally_value_ = get_node_value(params_node, "value");
-      if (check_for_node(params_node, "threshold"))
-        threshold_ = std::stod(get_node_value(params_node, "threshold"));
-      if (check_for_node(params_node, "ratio")) {
-        ratio_ = std::stod(get_node_value(params_node, "ratio"));
-      }
+  // set method
+  std::string method_string = get_node_value(node, "method");
+  if (method_string == "magic") {
+    method_ = WeightWindowUpdateMethod::MAGIC;
+    if (settings::solver_type == SolverType::RANDOM_RAY &&
+        FlatSourceDomain::adjoint_) {
+      fatal_error("Random ray weight window generation with MAGIC cannot be "
+                  "done in adjoint mode.");
     }
-    // check update parameter values
-    if (tally_value_ != "mean" && tally_value_ != "rel_err") {
-      fatal_error(fmt::format("Unsupported tally value '{}' specified for "
-                              "weight window generation.",
-        tally_value_));
+  } else if (method_string == "fw_cadis") {
+    method_ = WeightWindowUpdateMethod::FW_CADIS;
+    if (settings::solver_type != SolverType::RANDOM_RAY) {
+      fatal_error("FW-CADIS can only be run in random ray solver mode.");
     }
-    if (threshold_ <= 0.0)
-      fatal_error(fmt::format("Invalid relative error threshold '{}' (<= 0.0) "
-                              "specified for weight window generation",
-        ratio_));
-    if (ratio_ <= 1.0)
-      fatal_error(fmt::format("Invalid weight window ratio '{}' (<= 1.0) "
-                              "specified for weight window generation"));
+    FlatSourceDomain::adjoint_ = true;
   } else {
     fatal_error(fmt::format(
-      "Unknown weight window update method '{}' specified", method_));
+      "Unknown weight window update method '{}' specified", method_string));
   }
 
+  // parse non-default update parameters if specified
+  if (check_for_node(node, "update_parameters")) {
+    pugi::xml_node params_node = node.child("update_parameters");
+    if (check_for_node(params_node, "value"))
+      tally_value_ = get_node_value(params_node, "value");
+    if (check_for_node(params_node, "threshold"))
+      threshold_ = std::stod(get_node_value(params_node, "threshold"));
+    if (check_for_node(params_node, "ratio")) {
+      ratio_ = std::stod(get_node_value(params_node, "ratio"));
+    }
+  }
+
+  // check update parameter values
+  if (tally_value_ != "mean" && tally_value_ != "rel_err") {
+    fatal_error(fmt::format("Unsupported tally value '{}' specified for "
+                            "weight window generation.",
+      tally_value_));
+  }
+  if (threshold_ <= 0.0)
+    fatal_error(fmt::format("Invalid relative error threshold '{}' (<= 0.0) "
+                            "specified for weight window generation",
+      ratio_));
+  if (ratio_ <= 1.0)
+    fatal_error(fmt::format("Invalid weight window ratio '{}' (<= 1.0) "
+                            "specified for weight window generation"));
+
   // create a matching weight windows object
   auto wws = WeightWindows::create();
   ww_idx_ = wws->index();
@@ -860,7 +899,7 @@ void WeightWindowsGenerator::update() const
       tally->n_realizations_ % update_interval_ != 0)
     return;
 
-  wws->update_magic(tally, tally_value_, threshold_, ratio_);
+  wws->update_weights(tally, tally_value_, threshold_, ratio_, method_);
 
   // if we're not doing on the fly generation, reset the tally results once
   // we're done with the update
@@ -944,7 +983,7 @@ extern "C" int openmc_weight_windows_update_magic(int32_t ww_idx,
   // get the WeightWindows object
   const auto& wws = variance_reduction::weight_windows.at(ww_idx);
 
-  wws->update_magic(tally, value, threshold, ratio);
+  wws->update_weights(tally, value, threshold, ratio);
 
   return 0;
 }
diff --git a/tests/regression_tests/weightwindows_fw_cadis/__init__.py b/tests/regression_tests/weightwindows_fw_cadis/__init__.py
new file mode 100644
index 000000000..e69de29bb
diff --git a/tests/regression_tests/weightwindows_fw_cadis/inputs_true.dat b/tests/regression_tests/weightwindows_fw_cadis/inputs_true.dat
new file mode 100644
index 000000000..586bbb120
--- /dev/null
+++ b/tests/regression_tests/weightwindows_fw_cadis/inputs_true.dat
@@ -0,0 +1,260 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <cross_sections>mgxs.h5</cross_sections>
+    <material id="1" name="source">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="source"/>
+    </material>
+    <material id="2" name="void">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="void"/>
+    </material>
+    <material id="3" name="absorber">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="absorber"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" name="infinite source region" universe="1"/>
+    <cell id="2" material="2" name="infinite void region" universe="2"/>
+    <cell id="3" material="3" name="infinite absorber region" universe="3"/>
+    <cell fill="4" id="4" universe="5"/>
+    <cell fill="5" id="5" name="full domain" region="1 -2 3 -4 5 -6" universe="6"/>
+    <lattice id="4">
+      <pitch>2.5 2.5 2.5</pitch>
+      <dimension>12 12 12</dimension>
+      <lower_left>0.0 0.0 0.0</lower_left>
+      <universes>
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+1 1 2 2 2 2 2 2 2 2 3 3 
+1 1 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+1 1 2 2 2 2 2 2 2 2 3 3 
+1 1 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 </universes>
+    </lattice>
+    <surface boundary="reflective" coeffs="0.0" id="1" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="30.0" id="2" type="x-plane"/>
+    <surface boundary="reflective" coeffs="0.0" id="3" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="30.0" id="4" type="y-plane"/>
+    <surface boundary="reflective" coeffs="0.0" id="5" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="30.0" id="6" type="z-plane"/>
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>90</particles>
+    <batches>10</batches>
+    <inactive>5</inactive>
+    <source particle="neutron" strength="3.14" type="independent">
+      <energy type="discrete">
+        <parameters>100.0 1.0</parameters>
+      </energy>
+      <constraints>
+        <domain_type>universe</domain_type>
+        <domain_ids>1</domain_ids>
+      </constraints>
+    </source>
+    <energy_mode>multi-group</energy_mode>
+    <weight_window_generators>
+      <weight_windows_generator>
+        <mesh>1</mesh>
+        <particle_type>neutron</particle_type>
+        <max_realizations>10</max_realizations>
+        <update_interval>1</update_interval>
+        <on_the_fly>true</on_the_fly>
+        <method>fw_cadis</method>
+      </weight_windows_generator>
+    </weight_window_generators>
+    <mesh id="1">
+      <dimension>6 6 6</dimension>
+      <lower_left>0.0 0.0 0.0</lower_left>
+      <upper_right>30.0 30.0 30.0</upper_right>
+    </mesh>
+    <random_ray>
+      <distance_active>500.0</distance_active>
+      <distance_inactive>100.0</distance_inactive>
+      <source particle="neutron" strength="1.0" type="independent">
+        <space type="box">
+          <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
+        </space>
+      </source>
+      <volume_normalized_flux_tallies>True</volume_normalized_flux_tallies>
+      <volume_estimator>naive</volume_estimator>
+    </random_ray>
+  </settings>
+  <tallies>
+    <filter id="3" type="material">
+      <bins>1</bins>
+    </filter>
+    <filter id="2" type="material">
+      <bins>2</bins>
+    </filter>
+    <filter id="1" type="material">
+      <bins>3</bins>
+    </filter>
+    <tally id="3" name="Source Tally">
+      <filters>3</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="2" name="Void Tally">
+      <filters>2</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="1" name="Absorber Tally">
+      <filters>1</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/weightwindows_fw_cadis/results_true.dat b/tests/regression_tests/weightwindows_fw_cadis/results_true.dat
new file mode 100644
index 000000000..e39b2e239
--- /dev/null
+++ b/tests/regression_tests/weightwindows_fw_cadis/results_true.dat
@@ -0,0 +1,442 @@
+RegularMesh
+	ID             =	1
+	Name           =	
+	Dimensions     =	3
+	Voxels         =	[6 6 6]
+	Lower left     =	[0. 0. 0.]
+	Upper Right    =	[np.float64(30.0), np.float64(30.0), np.float64(30.0)]
+	Width          =	[5. 5. 5.]
+Lower Bounds
+1.50e-01
+1.54e-01
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+1.30e-01
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+9.69e-02
+3.26e-01
+2.28e-01
+2.49e-01
+3.55e-02
+1.69e-02
+3.95e-03
+1.03e-01
+4.89e-02
+1.90e-01
+4.61e-02
+9.75e-03
+3.00e-04
+Upper Bounds
+7.49e-01
+7.71e-01
+7.13e-01
+6.51e-01
+6.48e-01
+9.85e-01
+7.31e-01
+6.26e-01
+6.69e-01
+6.59e-01
+6.33e-01
+1.70e+00
+6.82e-01
+5.67e-01
+5.45e-01
+5.94e-01
+6.24e-01
+1.54e+00
+6.92e-01
+5.91e-01
+4.75e-01
+5.96e-01
+6.77e-01
+9.82e-01
+5.59e-01
+4.80e-01
+4.67e-01
+4.87e-01
+6.84e-01
+1.38e+00
+2.26e-01
+6.55e-01
+1.24e+00
+3.68e-01
+8.59e-01
+6.88e-01
+7.73e-01
+7.70e-01
+7.42e-01
+6.78e-01
+6.46e-01
+9.40e-01
+7.00e-01
+7.57e-01
+6.39e-01
+5.92e-01
+6.43e-01
+1.43e+00
+7.12e-01
+6.29e-01
+6.40e-01
+5.78e-01
+6.09e-01
+1.40e+00
+6.90e-01
+6.10e-01
+5.21e-01
+4.91e-01
+5.42e-01
+9.87e-01
+6.71e-01
+6.60e-01
+5.52e-01
+4.35e-01
+5.14e-01
+6.65e-01
+1.26e+00
+1.70e+00
+5.63e-01
+3.46e-01
+7.72e-01
+2.86e-01
+8.00e-01
+7.58e-01
+6.70e-01
+6.59e-01
+6.41e-01
+1.26e+00
+6.65e-01
+6.76e-01
+5.76e-01
+6.60e-01
+6.86e-01
+1.57e+00
+6.35e-01
+6.81e-01
+6.75e-01
+5.51e-01
+5.39e-01
+4.40e-01
+7.56e-01
+6.62e-01
+5.67e-01
+4.95e-01
+4.63e-01
+2.52e-01
+6.98e-01
+7.78e-01
+6.99e-01
+4.59e-01
+3.27e-01
+1.02e-01
+1.67e+00
+9.38e-01
+1.58e+00
+9.00e-01
+2.89e-01
+2.68e-02
+7.16e-01
+6.75e-01
+7.35e-01
+6.63e-01
+7.34e-01
+2.47e+00
+7.11e-01
+7.23e-01
+6.34e-01
+6.54e-01
+6.32e-01
+7.14e-01
+7.45e-01
+6.15e-01
+6.19e-01
+5.64e-01
+4.85e-01
+5.37e-01
+8.26e-01
+7.51e-01
+6.21e-01
+5.36e-01
+4.45e-01
+4.40e-01
+7.40e-01
+7.92e-01
+5.99e-01
+3.96e-01
+3.60e-01
+1.97e-01
+1.14e+00
+9.76e-01
+1.33e+00
+7.55e-01
+1.76e-01
+1.84e-02
+7.42e-01
+5.90e-01
+7.37e-01
+7.07e-01
+6.84e-01
+1.36e+00
+8.52e-01
+8.49e-01
+6.46e-01
+6.63e-01
+6.42e-01
+1.40e+00
+9.19e-01
+7.08e-01
+5.89e-01
+6.24e-01
+6.28e-01
+8.21e-01
+8.64e-01
+6.87e-01
+5.58e-01
+4.50e-01
+5.64e-01
+8.40e-01
+7.99e-01
+7.62e-01
+6.51e-01
+4.36e-01
+3.86e-01
+1.88e-01
+7.85e-01
+4.66e-01
+8.13e-01
+3.40e-01
+3.11e-01
+1.68e-02
+1.24e+00
+1.09e+00
+7.40e-01
+1.00e+00
+7.72e-01
+2.85e-01
+1.44e+00
+1.79e+00
+5.85e-01
+4.32e-01
+1.67e+00
+7.50e-01
+2.50e+00
+1.08e+00
+6.10e-01
+8.32e-01
+7.19e-01
+2.49e-01
+2.14e+00
+5.87e-01
+4.36e-01
+5.57e-01
+5.47e-01
+4.84e-01
+1.63e+00
+1.14e+00
+1.25e+00
+1.78e-01
+8.43e-02
+1.97e-02
+5.17e-01
+2.44e-01
+9.49e-01
+2.31e-01
+4.87e-02
+1.50e-03
\ No newline at end of file
diff --git a/tests/regression_tests/weightwindows_fw_cadis/test.py b/tests/regression_tests/weightwindows_fw_cadis/test.py
new file mode 100644
index 000000000..7a4718ed5
--- /dev/null
+++ b/tests/regression_tests/weightwindows_fw_cadis/test.py
@@ -0,0 +1,33 @@
+import os
+
+import openmc
+from openmc.examples import random_ray_three_region_cube
+
+from tests.testing_harness import WeightWindowPyAPITestHarness
+
+
+class MGXSTestHarness(WeightWindowPyAPITestHarness):
+    def _cleanup(self):
+        super()._cleanup()
+        f = 'mgxs.h5'
+        if os.path.exists(f):
+            os.remove(f)
+
+
+def test_random_ray_adjoint_fixed_source():
+    model = random_ray_three_region_cube()
+
+    ww_mesh = openmc.RegularMesh()
+    n = 6
+    width = 30.0
+    ww_mesh.dimension = (n, n, n)
+    ww_mesh.lower_left = (0.0, 0.0, 0.0)
+    ww_mesh.upper_right = (width, width, width)
+
+    wwg = openmc.WeightWindowGenerator(
+        method="fw_cadis", mesh=ww_mesh, max_realizations=model.settings.batches)
+    model.settings.weight_window_generators = wwg
+    model.settings.random_ray['volume_estimator'] = 'naive'
+
+    harness = MGXSTestHarness('statepoint.10.h5', model)
+    harness.main()
diff --git a/tests/testing_harness.py b/tests/testing_harness.py
index 81527452b..ddae89e02 100644
--- a/tests/testing_harness.py
+++ b/tests/testing_harness.py
@@ -441,6 +441,40 @@ class TolerantPyAPITestHarness(PyAPITestHarness):
         assert compare, 'Results do not agree'
 
 
+class WeightWindowPyAPITestHarness(PyAPITestHarness):
+    def _get_results(self):
+        """Digest info in the weight window file and return as a string."""
+        ww = openmc.hdf5_to_wws()[0]
+
+        # Access the weight window bounds
+        lower_bound = ww.lower_ww_bounds
+        upper_bound = ww.upper_ww_bounds
+
+        # Flatten both arrays
+        flattened_lower_bound = lower_bound.flatten()
+        flattened_upper_bound = upper_bound.flatten()
+
+        # Convert each element to a string in scientific notation with 2 decimal places
+        formatted_lower_bound = [f'{x:.2e}' for x in flattened_lower_bound]
+        formatted_upper_bound = [f'{x:.2e}' for x in flattened_upper_bound]
+
+        # Concatenate the formatted arrays
+        concatenated_strings = ["Lower Bounds"] + formatted_lower_bound + \
+            ["Upper Bounds"] + formatted_upper_bound
+
+        # Join the concatenated strings into a single string with newline characters
+        final_string = '\n'.join(concatenated_strings)
+
+        # Prepend the mesh text description and return final string
+        return str(ww.mesh) + final_string
+
+    def _cleanup(self):
+        super()._cleanup()
+        f = 'weight_windows.h5'
+        if os.path.exists(f):
+            os.remove(f)
+
+
 class PlotTestHarness(TestHarness):
     """Specialized TestHarness for running OpenMC plotting tests."""
     def __init__(self, plot_names, voxel_convert_checks=[]):

From 8626ce5c4352634d18d62ab328448abfa99bdc02 Mon Sep 17 00:00:00 2001
From: Andrew Johnson <drewejohnson@users.noreply.github.com>
Date: Mon, 27 Jan 2025 23:31:59 -0800
Subject: [PATCH 2225/2654] Rely on std::filesystem for file_utils (#3042)

Co-authored-by: Andrew Johnson <git.vyveu@simplelogin.com>
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 include/openmc/file_utils.h              |  8 +++-
 src/cross_sections.cpp                   | 25 +++++-----
 src/dagmc.cpp                            |  4 +-
 src/file_utils.cpp                       | 61 ++++++++----------------
 src/simulation.cpp                       |  3 +-
 src/state_point.cpp                      | 10 ++--
 tests/cpp_unit_tests/test_file_utils.cpp |  9 ++++
 7 files changed, 53 insertions(+), 67 deletions(-)

diff --git a/include/openmc/file_utils.h b/include/openmc/file_utils.h
index 6e9812d5e..db6564034 100644
--- a/include/openmc/file_utils.h
+++ b/include/openmc/file_utils.h
@@ -5,7 +5,10 @@
 
 namespace openmc {
 
-// TODO: replace with std::filesystem when switch to C++17 is made
+// NOTE: This is a thin wrapper over std::filesystem because we
+// pass strings around a lot. Objects like settings::path_input
+// are extern std::string to play with other libraries and languages
+
 //! Determine if a path is a directory
 //! \param[in] path Path to check
 //! \return Whether the path is a directory
@@ -18,7 +21,8 @@ bool file_exists(const std::string& filename);
 
 //! Determine directory containing given file
 //! \param[in] filename Path to file
-//! \return Name of directory containing file
+//! \return Name of directory containing file excluding the final directory
+//! separator
 std::string dir_name(const std::string& filename);
 
 // Gets the file extension of whatever string is passed in. This is defined as
diff --git a/src/cross_sections.cpp b/src/cross_sections.cpp
index 248ae9019..b1bfde03d 100644
--- a/src/cross_sections.cpp
+++ b/src/cross_sections.cpp
@@ -23,6 +23,7 @@
 #include "pugixml.hpp"
 
 #include <cstdlib> // for getenv
+#include <filesystem>
 #include <unordered_set>
 
 namespace openmc {
@@ -282,15 +283,16 @@ void read_ce_cross_sections(const vector<vector<double>>& nuc_temps,
 void read_ce_cross_sections_xml()
 {
   // Check if cross_sections.xml exists
-  const auto& filename = settings::path_cross_sections;
-  if (dir_exists(filename)) {
+  std::filesystem::path filename(settings::path_cross_sections);
+  if (!std::filesystem::exists(filename)) {
+    fatal_error(
+      "Cross sections XML file '" + filename.string() + "' does not exist.");
+  }
+
+  if (std::filesystem::is_directory(filename)) {
     fatal_error("OPENMC_CROSS_SECTIONS is set to a directory. "
                 "It should be set to an XML file.");
   }
-  if (!file_exists(filename)) {
-    // Could not find cross_sections.xml file
-    fatal_error("Cross sections XML file '" + filename + "' does not exist.");
-  }
 
   write_message("Reading cross sections XML file...", 5);
 
@@ -309,15 +311,10 @@ void read_ce_cross_sections_xml()
   } else {
     // If no directory is listed in cross_sections.xml, by default select the
     // directory in which the cross_sections.xml file resides
-
-    // TODO: Use std::filesystem functionality when C++17 is adopted
-    auto pos = filename.rfind("/");
-    if (pos == std::string::npos) {
-      // No '\\' found, so the file must be in the same directory as
-      // materials.xml
-      directory = settings::path_input;
+    if (filename.has_parent_path()) {
+      directory = filename.parent_path().string();
     } else {
-      directory = filename.substr(0, pos);
+      directory = settings::path_input;
     }
   }
 
diff --git a/src/dagmc.cpp b/src/dagmc.cpp
index 94c220850..52c45f21c 100644
--- a/src/dagmc.cpp
+++ b/src/dagmc.cpp
@@ -17,6 +17,7 @@
 #include <fmt/core.h>
 
 #include <algorithm>
+#include <filesystem>
 #include <fstream>
 #include <sstream>
 #include <string>
@@ -56,7 +57,8 @@ DAGUniverse::DAGUniverse(pugi::xml_node node)
   if (check_for_node(node, "filename")) {
     filename_ = get_node_value(node, "filename");
     if (!starts_with(filename_, "/")) {
-      filename_ = dir_name(settings::path_input) + filename_;
+      std::filesystem::path d(dir_name(settings::path_input));
+      filename_ = (d / filename_).string();
     }
   } else {
     fatal_error("Must specify a file for the DAGMC universe");
diff --git a/src/file_utils.cpp b/src/file_utils.cpp
index 197c9767c..517f82d15 100644
--- a/src/file_utils.cpp
+++ b/src/file_utils.cpp
@@ -1,65 +1,42 @@
 #include "openmc/file_utils.h"
 
-#include <algorithm> // any_of
-#include <cctype>    // for isalpha
-#include <fstream>   // for ifstream
-#include <sys/stat.h>
+#include <filesystem>
 
 namespace openmc {
 
 bool dir_exists(const std::string& path)
 {
-  struct stat s;
-  if (stat(path.c_str(), &s) != 0)
-    return false;
-
-  return s.st_mode & S_IFDIR;
+  std::filesystem::path d(path);
+  return std::filesystem::is_directory(d);
 }
 
 bool file_exists(const std::string& filename)
 {
-  // rule out file being a path to a directory
-  if (dir_exists(filename))
+  std::filesystem::path p(filename);
+  if (!std::filesystem::exists(p)) {
     return false;
-
-  std::ifstream s {filename};
-  return s.good();
+  }
+  if (std::filesystem::is_directory(p)) {
+    return false;
+  }
+  return true;
 }
 
 std::string dir_name(const std::string& filename)
 {
-  size_t pos = filename.find_last_of("\\/");
-  return (std::string::npos == pos) ? "" : filename.substr(0, pos + 1);
+  std::filesystem::path p(filename);
+  return (p.parent_path()).string();
 }
 
 std::string get_file_extension(const std::string& filename)
 {
-  // try our best to work on windows...
-#if defined(_WIN32) || defined(_WIN64)
-  const char sep_char = '\\';
-#else
-  const char sep_char = '/';
-#endif
-
-  // check that at least one letter is present
-  const auto last_period_pos = filename.find_last_of('.');
-  const auto last_sep_pos = filename.find_last_of(sep_char);
-
-  // no file extension. In the first case, we are only given
-  // a file name. In the second, we have been given a file path.
-  // If that's the case, periods are allowed in directory names,
-  // but have the interpretation as preceding a file extension
-  // after the last separator.
-  if (last_period_pos == std::string::npos ||
-      (last_sep_pos < std::string::npos && last_period_pos < last_sep_pos))
-    return "";
-
-  const std::string ending = filename.substr(last_period_pos + 1);
-
-  // check that at least one character is present.
-  const bool has_alpha = std::any_of(ending.begin(), ending.end(),
-    [](char x) { return static_cast<bool>(std::isalpha(x)); });
-  return has_alpha ? ending : "";
+  std::filesystem::path p(filename);
+  auto ext = p.extension();
+  if (!ext.empty()) {
+    // path::extension includes the period
+    return ext.string().substr(1);
+  }
+  return "";
 }
 
 } // namespace openmc
diff --git a/src/simulation.cpp b/src/simulation.cpp
index 09b376473..030e447f1 100644
--- a/src/simulation.cpp
+++ b/src/simulation.cpp
@@ -446,10 +446,9 @@ void finalize_batch()
 
     // Write a continously-overwritten source point if requested.
     if (settings::source_latest) {
-      // note: correct file extension appended automatically
       auto filename = settings::path_output + "source";
       gsl::span<SourceSite> bankspan(simulation::source_bank);
-      write_source_point(filename.c_str(), bankspan, simulation::work_index,
+      write_source_point(filename, bankspan, simulation::work_index,
         settings::source_mcpl_write);
     }
   }
diff --git a/src/state_point.cpp b/src/state_point.cpp
index adc026fa3..fcc389df1 100644
--- a/src/state_point.cpp
+++ b/src/state_point.cpp
@@ -52,9 +52,7 @@ extern "C" int openmc_statepoint_write(const char* filename, bool* write_source)
 
   // If a file name was specified, ensure it has .h5 file extension
   const auto extension = get_file_extension(filename_);
-  if (extension == "") {
-    filename_.append(".h5");
-  } else if (extension != "h5") {
+  if (extension != "h5") {
     warning("openmc_statepoint_write was passed a file extension differing "
             "from .h5, but an hdf5 file will be written.");
   }
@@ -578,8 +576,10 @@ void write_source_point(std::string filename, gsl::span<SourceSite> source_bank,
 
   // Dispatch to appropriate function based on file type
   if (use_mcpl) {
+    filename.append(".mcpl");
     write_mcpl_source_point(filename.c_str(), source_bank, bank_index);
   } else {
+    filename.append(".h5");
     write_h5_source_point(filename.c_str(), source_bank, bank_index);
   }
 }
@@ -602,9 +602,7 @@ void write_h5_source_point(const char* filename,
 
   std::string filename_(filename);
   const auto extension = get_file_extension(filename_);
-  if (extension == "") {
-    filename_.append(".h5");
-  } else if (extension != "h5") {
+  if (extension != "h5") {
     warning("write_source_point was passed a file extension differing "
             "from .h5, but an hdf5 file will be written.");
   }
diff --git a/tests/cpp_unit_tests/test_file_utils.cpp b/tests/cpp_unit_tests/test_file_utils.cpp
index 3b7a74346..8b0d99d76 100644
--- a/tests/cpp_unit_tests/test_file_utils.cpp
+++ b/tests/cpp_unit_tests/test_file_utils.cpp
@@ -30,3 +30,12 @@ TEST_CASE("Test file_exists")
   // Note: not clear how to portably test where a file should exist.
   REQUIRE(!file_exists("./should_not_exist/really_do_not_make_this_please"));
 }
+
+TEST_CASE("Test dir_name")
+{
+  REQUIRE(dir_name("") == "");
+  REQUIRE(dir_name("/") == "/");
+  REQUIRE(dir_name("hello") == "");
+  REQUIRE(dir_name("hello/world") == "hello");
+  REQUIRE(dir_name("/path/to/dir/") == "/path/to/dir");
+}

From 27f3afefa472567304588edfb6fe18ab8362aa9e Mon Sep 17 00:00:00 2001
From: Skywalker <49872736+cn-skywalker@users.noreply.github.com>
Date: Tue, 28 Jan 2025 15:57:27 +0800
Subject: [PATCH 2226/2654] Fix the bug in the Material.from_xml_element
 function  (#3278)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/material.py | 4 +++-
 1 file changed, 3 insertions(+), 1 deletion(-)

diff --git a/openmc/material.py b/openmc/material.py
index a6401216a..343b2fff2 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -1582,7 +1582,6 @@ class Material(IDManagerMixin):
 
         if 'volume' in elem.attrib:
             mat.volume = float(elem.get('volume'))
-        mat.depletable = bool(elem.get('depletable'))
 
         # Get each nuclide
         for nuclide in elem.findall('nuclide'):
@@ -1592,6 +1591,9 @@ class Material(IDManagerMixin):
             elif 'wo' in nuclide.attrib:
                 mat.add_nuclide(name, float(nuclide.attrib['wo']), 'wo')
 
+        # Get depletable attribute
+        mat.depletable = elem.get('depletable') in ('true', '1')
+
         # Get each S(a,b) table
         for sab in elem.findall('sab'):
             fraction = float(sab.get('fraction', 1.0))

From 860d739f4c30c0a59885caad0534d4fee293f53b Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Tue, 28 Jan 2025 17:44:32 +0100
Subject: [PATCH 2227/2654] Doc typo fix for rand ray mgxs (#3280)

Co-authored-by: Jon Shimwell <jon@proximafusion.com>
---
 docs/source/usersguide/random_ray.rst | 9 ++++-----
 1 file changed, 4 insertions(+), 5 deletions(-)

diff --git a/docs/source/usersguide/random_ray.rst b/docs/source/usersguide/random_ray.rst
index b6852b7ca..b797a7216 100644
--- a/docs/source/usersguide/random_ray.rst
+++ b/docs/source/usersguide/random_ray.rst
@@ -111,7 +111,7 @@ detector from the core. In this case, rays sampled in the moderator region and
 heading toward the detector will begin life with a highly scattered thermal
 spectrum and will have an inaccurate fast spectrum. If the dead zone length is
 only 20 cm, we might imagine such rays writing to the detector tally within
-their active lengths, despite their innaccurate estimate of the uncollided fast
+their active lengths, despite their inaccurate estimate of the uncollided fast
 angular flux. Thus, an inactive length of 100--200 cm would ensure that any such
 rays would still be within their inactive regions, and only rays that have
 actually traversed through the core (and thus have an accurate representation of
@@ -487,7 +487,7 @@ two group energy decomposition::
   mgxs_lib = openmc.mgxs.Library(geometry)
 
   # Pick energy group structure
-  groups = mgxs.EnergyGroups(mgxs.GROUP_STRUCTURES['CASMO-2'])
+  groups = openmc.mgxs.EnergyGroups(openmc.mgxs.GROUP_STRUCTURES['CASMO-2'])
   mgxs_lib.energy_groups = groups
 
   # Disable transport correction
@@ -501,7 +501,7 @@ two group energy decomposition::
   mgxs_lib.domain_type = "material"
 
   # Specify the cell domains over which to compute multi-group cross sections
-  mgxs_lib.domains = geom.get_all_materials().values()
+  mgxs_lib.domains = geometry.get_all_materials().values()
 
   # Do not compute cross sections on a nuclide-by-nuclide basis
   mgxs_lib.by_nuclide = False
@@ -531,7 +531,6 @@ a statepoint file (e.g., ``statepoint.100.h5``) file and summary file (e.g.,
 ``summary.h5``) that resulted from running our previous example::
 
   import openmc
-  import openmc.mgxs as mgxs
 
   summary = openmc.Summary('summary.h5')
   geom = summary.geometry
@@ -540,7 +539,7 @@ a statepoint file (e.g., ``statepoint.100.h5``) file and summary file (e.g.,
   statepoint_filename = 'statepoint.100.h5'
   sp = openmc.StatePoint(statepoint_filename)
 
-  groups = mgxs.EnergyGroups(mgxs.GROUP_STRUCTURES['CASMO-2'])
+  groups = openmc.mgxs.EnergyGroups(openmc.mgxs.GROUP_STRUCTURES['CASMO-2'])
   mgxs_lib = openmc.mgxs.Library(geom)
   mgxs_lib.energy_groups = groups
   mgxs_lib.correction = None

From d9c8e594c76f7f99b6acf5027de93ccfd26173e9 Mon Sep 17 00:00:00 2001
From: Skywalker <49872736+cn-skywalker@users.noreply.github.com>
Date: Wed, 29 Jan 2025 03:44:04 +0800
Subject: [PATCH 2228/2654] fix the bug in function differentiate_mats()
 (#3277)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/model/model.py                         | 27 ++++++++++++++-----
 .../test_deplete_coupled_operator.py          |  4 +--
 2 files changed, 23 insertions(+), 8 deletions(-)

diff --git a/openmc/model/model.py b/openmc/model/model.py
index 80859c55d..c8329c2fb 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -1199,7 +1199,7 @@ class Model:
         diff_volume_method : str
             Specifies how the volumes of the new materials should be found.
             - None: Do not assign volumes to the new materials (Default)
-            - 'divide_equally': Divide the original material volume equally between the new materials
+            - 'divide equally': Divide the original material volume equally between the new materials
             - 'match cell': Set the volume of the material to the volume of the cell they fill
         """
         self.differentiate_mats(diff_volume_method, depletable_only=True)
@@ -1214,7 +1214,7 @@ class Model:
         diff_volume_method : str
             Specifies how the volumes of the new materials should be found.
             - None: Do not assign volumes to the new materials (Default)
-            - 'divide_equally': Divide the original material volume equally between the new materials
+            - 'divide equally': Divide the original material volume equally between the new materials
             - 'match cell': Set the volume of the material to the volume of the cell they fill
         depletable_only : bool
             Default is True, only depletable materials will be differentiated. If False, all materials will be
@@ -1225,9 +1225,15 @@ class Model:
         # Count the number of instances for each cell and material
         self.geometry.determine_paths(instances_only=True)
 
+        # Get list of materials
+        if self.materials:
+            materials = self.materials
+        else:
+            materials = list(self.geometry.get_all_materials().values())
+
         # Find all or depletable_only materials which have multiple instance
         distribmats = set()
-        for mat in self.materials:
+        for mat in materials:
             # Differentiate all materials with multiple instances
             diff_mat = mat.num_instances > 1
             # If depletable_only is True, differentiate only depletable materials
@@ -1259,11 +1265,20 @@ class Model:
         for cell in self.geometry.get_all_material_cells().values():
             if cell.fill in distribmats:
                 mat = cell.fill
-                if diff_volume_method != 'match cell':
+
+                # Clone materials
+                if cell.num_instances > 1:
                     cell.fill = [mat.clone() for _ in range(cell.num_instances)]
-                elif diff_volume_method == 'match cell':
+                else:
                     cell.fill = mat.clone()
-                    cell.fill.volume = cell.volume
+
+                # For 'match cell', assign volumes based on the cells
+                if diff_volume_method == 'match cell':
+                    if cell.fill_type == 'distribmat':
+                        for clone_mat in cell.fill:
+                            clone_mat.volume = cell.volume
+                    else:
+                        cell.fill.volume = cell.volume
 
         if self.materials is not None:
             self.materials = openmc.Materials(
diff --git a/tests/unit_tests/test_deplete_coupled_operator.py b/tests/unit_tests/test_deplete_coupled_operator.py
index fe79d621b..ba291e07d 100644
--- a/tests/unit_tests/test_deplete_coupled_operator.py
+++ b/tests/unit_tests/test_deplete_coupled_operator.py
@@ -114,7 +114,7 @@ def test_diff_volume_method_divide_equally(model_with_volumes):
     )
 
     all_cells = list(operator.model.geometry.get_all_cells().values())
-    assert all_cells[0].fill[0].volume == 51
-    assert all_cells[1].fill[0].volume == 51
+    assert all_cells[0].fill.volume == 51
+    assert all_cells[1].fill.volume == 51
     # mat2 is not depletable
     assert all_cells[2].fill.volume is None

From 59c398be84fa5e88279dc5b980f4a79c6f57a951 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 31 Jan 2025 10:12:24 -0600
Subject: [PATCH 2229/2654] Consolidate plotting capabilities in Model.plot
 (#3282)

Co-authored-by: Jonathan Shimwell <drshimwell@gmail.com>
---
 openmc/cell.py        |  56 +---------
 openmc/geometry.py    |  55 +---------
 openmc/model/model.py | 237 ++++++++++++++++++++++++++++++++---------
 openmc/plots.py       |  85 +++++++++++++++
 openmc/region.py      |  39 +------
 openmc/universe.py    | 240 +++---------------------------------------
 6 files changed, 289 insertions(+), 423 deletions(-)

diff --git a/openmc/cell.py b/openmc/cell.py
index 2e0f2ff13..cd0573e8b 100644
--- a/openmc/cell.py
+++ b/openmc/cell.py
@@ -10,6 +10,7 @@ import openmc
 import openmc.checkvalue as cv
 from ._xml import get_text
 from .mixin import IDManagerMixin
+from .plots import add_plot_params
 from .region import Region, Complement
 from .surface import Halfspace
 from .bounding_box import BoundingBox
@@ -559,64 +560,11 @@ class Cell(IDManagerMixin):
 
         return memo[self]
 
+    @add_plot_params
     def plot(self, *args, **kwargs):
         """Display a slice plot of the cell.
 
         .. versionadded:: 0.14.0
-
-        Parameters
-        ----------
-        origin : iterable of float
-            Coordinates at the origin of the plot. If left as None then the
-            bounding box center will be used to attempt to ascertain the origin.
-            Defaults to (0, 0, 0) if the bounding box is not finite
-        width : iterable of float
-            Width of the plot in each basis direction. If left as none then the
-            bounding box width will be used to attempt to ascertain the plot
-            width. Defaults to (10, 10) if the bounding box is not finite
-        pixels : Iterable of int or int
-            If iterable of ints provided, then this directly sets the number of
-            pixels to use in each basis direction. If int provided, then this
-            sets the total number of pixels in the plot and the number of pixels
-            in each basis direction is calculated from this total and the image
-            aspect ratio.
-        basis : {'xy', 'xz', 'yz'}
-            The basis directions for the plot
-        color_by : {'cell', 'material'}
-            Indicate whether the plot should be colored by cell or by material
-        colors : dict
-            Assigns colors to specific materials or cells. Keys are instances of
-            :class:`Cell` or :class:`Material` and values are RGB 3-tuples, RGBA
-            4-tuples, or strings indicating SVG color names. Red, green, blue,
-            and alpha should all be floats in the range [0.0, 1.0], for example:
-
-            .. code-block:: python
-
-               # Make water blue
-               water = openmc.Cell(fill=h2o)
-               water.plot(colors={water: (0., 0., 1.)})
-        seed : int
-            Seed for the random number generator
-        openmc_exec : str
-            Path to OpenMC executable.
-        axes : matplotlib.Axes
-            Axes to draw to
-        legend : bool
-            Whether a legend showing material or cell names should be drawn
-        legend_kwargs : dict
-            Keyword arguments passed to :func:`matplotlib.pyplot.legend`.
-        outline : bool
-            Whether outlines between color boundaries should be drawn
-        axis_units : {'km', 'm', 'cm', 'mm'}
-            Units used on the plot axis
-        **kwargs
-            Keyword arguments passed to :func:`matplotlib.pyplot.imshow`
-
-        Returns
-        -------
-        matplotlib.axes.Axes
-            Axes containing resulting image
-
         """
         # Create dummy universe but preserve used_ids
         next_id = openmc.Universe.next_id
diff --git a/openmc/geometry.py b/openmc/geometry.py
index 28e1e48ec..c069d5796 100644
--- a/openmc/geometry.py
+++ b/openmc/geometry.py
@@ -9,6 +9,7 @@ import lxml.etree as ET
 
 import openmc
 import openmc._xml as xml
+from .plots import add_plot_params
 from .checkvalue import check_type, check_less_than, check_greater_than, PathLike
 
 
@@ -747,62 +748,10 @@ class Geometry:
         clone.root_universe = self.root_universe.clone()
         return clone
 
+    @add_plot_params
     def plot(self, *args, **kwargs):
         """Display a slice plot of the geometry.
 
         .. versionadded:: 0.14.0
-
-        Parameters
-        ----------
-        origin : iterable of float
-            Coordinates at the origin of the plot. If left as None then the
-            bounding box center will be used to attempt to ascertain the origin.
-            Defaults to (0, 0, 0) if the bounding box is not finite
-        width : iterable of float
-            Width of the plot in each basis direction. If left as none then the
-            bounding box width will be used to attempt to ascertain the plot
-            width. Defaults to (10, 10) if the bounding box is not finite
-        pixels : Iterable of int or int
-            If iterable of ints provided, then this directly sets the number of
-            pixels to use in each basis direction. If int provided, then this
-            sets the total number of pixels in the plot and the number of pixels
-            in each basis direction is calculated from this total and the image
-            aspect ratio.
-        basis : {'xy', 'xz', 'yz'}
-            The basis directions for the plot
-        color_by : {'cell', 'material'}
-            Indicate whether the plot should be colored by cell or by material
-        colors : dict
-            Assigns colors to specific materials or cells. Keys are instances of
-            :class:`Cell` or :class:`Material` and values are RGB 3-tuples, RGBA
-            4-tuples, or strings indicating SVG color names. Red, green, blue,
-            and alpha should all be floats in the range [0.0, 1.0], for
-            example::
-
-               # Make water blue
-               water = openmc.Cell(fill=h2o)
-               universe.plot(..., colors={water: (0., 0., 1.))
-        seed : int
-            Seed for the random number generator
-        openmc_exec : str
-            Path to OpenMC executable.
-        axes : matplotlib.Axes
-            Axes to draw to
-        legend : bool
-            Whether a legend showing material or cell names should be drawn
-        legend_kwargs : dict
-            Keyword arguments passed to :func:`matplotlib.pyplot.legend`.
-        outline : bool
-            Whether outlines between color boundaries should be drawn
-        axis_units : {'km', 'm', 'cm', 'mm'}
-            Units used on the plot axis
-        **kwargs
-            Keyword arguments passed to :func:`matplotlib.pyplot.imshow`
-
-        Returns
-        -------
-        matplotlib.axes.Axes
-            Axes containing resulting image
         """
-
         return self.root_universe.plot(*args, **kwargs)
diff --git a/openmc/model/model.py b/openmc/model/model.py
index c8329c2fb..8dd13ef6b 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -1,9 +1,10 @@
 from __future__ import annotations
-from collections.abc import Iterable
+from collections.abc import Iterable, Sequence
 from functools import lru_cache
 from pathlib import Path
-from numbers import Integral
-from tempfile import NamedTemporaryFile
+import math
+from numbers import Integral, Real
+from tempfile import NamedTemporaryFile, TemporaryDirectory
 import warnings
 
 import h5py
@@ -16,6 +17,7 @@ from openmc.dummy_comm import DummyCommunicator
 from openmc.executor import _process_CLI_arguments
 from openmc.checkvalue import check_type, check_value, PathLike
 from openmc.exceptions import InvalidIDError
+from openmc.plots import add_plot_params
 from openmc.utility_funcs import change_directory
 
 
@@ -130,6 +132,10 @@ class Model:
             for plot in plots:
                 self._plots.append(plot)
 
+    @property
+    def bounding_box(self) -> openmc.BoundingBox:
+        return self.geometry.bounding_box
+
     @property
     def is_initialized(self) -> bool:
         try:
@@ -827,78 +833,207 @@ class Model:
                             openmc.lib.materials[domain_id].volume = \
                                 vol_calc.volumes[domain_id].n
 
+    @add_plot_params
     def plot(
         self,
+        origin: Sequence[float] | None = None,
+        width: Sequence[float] | None = None,
+        pixels: int | Sequence[int] = 40000,
+        basis: str = 'xy',
+        color_by: str = 'cell',
+        colors: dict | None = None,
+        seed: int | None = None,
+        openmc_exec: PathLike = 'openmc',
+        axes=None,
+        legend: bool = False,
+        axis_units: str = 'cm',
+        outline: bool | str = False,
         n_samples: int | None = None,
         plane_tolerance: float = 1.,
+        legend_kwargs: dict | None = None,
         source_kwargs: dict | None = None,
+        contour_kwargs: dict | None = None,
         **kwargs,
     ):
-        """Display a slice plot of the geometry.
+        """Display a slice plot of the model.
 
         .. versionadded:: 0.15.1
-
-        Parameters
-        ----------
-        n_samples : int, optional
-            The number of source particles to sample and add to plot. Defaults
-            to None which doesn't plot any particles on the plot.
-        plane_tolerance: float
-            When plotting a plane the source locations within the plane +/-
-            the plane_tolerance will be included and those outside of the
-            plane_tolerance will not be shown
-        source_kwargs : dict, optional
-            Keyword arguments passed to :func:`matplotlib.pyplot.scatter`.
-        **kwargs
-            Keyword arguments passed to :func:`openmc.Universe.plot`
-
-        Returns
-        -------
-        matplotlib.axes.Axes
-            Axes containing resulting image
         """
+        import matplotlib.image as mpimg
+        import matplotlib.patches as mpatches
+        import matplotlib.pyplot as plt
 
         check_type('n_samples', n_samples, int | None)
-        check_type('plane_tolerance', plane_tolerance, float)
+        check_type('plane_tolerance', plane_tolerance, Real)
+        if legend_kwargs is None:
+            legend_kwargs = {}
+        legend_kwargs.setdefault('bbox_to_anchor', (1.05, 1))
+        legend_kwargs.setdefault('loc', 2)
+        legend_kwargs.setdefault('borderaxespad', 0.0)
         if source_kwargs is None:
             source_kwargs = {}
         source_kwargs.setdefault('marker', 'x')
 
-        ax = self.geometry.plot(**kwargs)
+        # Determine extents of plot
+        if basis == 'xy':
+            x, y, z = 0, 1, 2
+            xlabel, ylabel = f'x [{axis_units}]', f'y [{axis_units}]'
+        elif basis == 'yz':
+            x, y, z = 1, 2, 0
+            xlabel, ylabel = f'y [{axis_units}]', f'z [{axis_units}]'
+        elif basis == 'xz':
+            x, y, z = 0, 2, 1
+            xlabel, ylabel = f'x [{axis_units}]', f'z [{axis_units}]'
+
+        bb = self.bounding_box
+        # checks to see if bounding box contains -inf or inf values
+        if np.isinf(bb.extent[basis]).any():
+            if origin is None:
+                origin = (0, 0, 0)
+            if width is None:
+                width = (10, 10)
+        else:
+            if origin is None:
+                # if nan values in the bb.center they get replaced with 0.0
+                # this happens when the bounding_box contains inf values
+                with warnings.catch_warnings():
+                    warnings.simplefilter("ignore", RuntimeWarning)
+                    origin = np.nan_to_num(bb.center)
+            if width is None:
+                bb_width = bb.width
+                width = (bb_width[x], bb_width[y])
+
+        if isinstance(pixels, int):
+            aspect_ratio = width[0] / width[1]
+            pixels_y = math.sqrt(pixels / aspect_ratio)
+            pixels = (int(pixels / pixels_y), int(pixels_y))
+
+        axis_scaling_factor = {'km': 0.00001, 'm': 0.01, 'cm': 1, 'mm': 10}
+
+        x_min = (origin[x] - 0.5*width[0]) * axis_scaling_factor[axis_units]
+        x_max = (origin[x] + 0.5*width[0]) * axis_scaling_factor[axis_units]
+        y_min = (origin[y] - 0.5*width[1]) * axis_scaling_factor[axis_units]
+        y_max = (origin[y] + 0.5*width[1]) * axis_scaling_factor[axis_units]
+
+        with TemporaryDirectory() as tmpdir:
+            if seed is not None:
+                self.settings.plot_seed = seed
+
+            # Create plot object matching passed arguments
+            plot = openmc.Plot()
+            plot.origin = origin
+            plot.width = width
+            plot.pixels = pixels
+            plot.basis = basis
+            plot.color_by = color_by
+            if colors is not None:
+                plot.colors = colors
+            self.plots.append(plot)
+
+            # Run OpenMC in geometry plotting mode
+            self.plot_geometry(False, cwd=tmpdir, openmc_exec=openmc_exec)
+
+            # Read image from file
+            img_path = Path(tmpdir) / f'plot_{plot.id}.png'
+            if not img_path.is_file():
+                img_path = img_path.with_suffix('.ppm')
+            img = mpimg.imread(str(img_path))
+
+            # Create a figure sized such that the size of the axes within
+            # exactly matches the number of pixels specified
+            if axes is None:
+                px = 1/plt.rcParams['figure.dpi']
+                fig, axes = plt.subplots()
+                axes.set_xlabel(xlabel)
+                axes.set_ylabel(ylabel)
+                params = fig.subplotpars
+                width = pixels[0]*px/(params.right - params.left)
+                height = pixels[1]*px/(params.top - params.bottom)
+                fig.set_size_inches(width, height)
+
+            if outline:
+                # Combine R, G, B values into a single int
+                rgb = (img * 256).astype(int)
+                image_value = (rgb[..., 0] << 16) + \
+                    (rgb[..., 1] << 8) + (rgb[..., 2])
+
+                # Set default arguments for contour()
+                if contour_kwargs is None:
+                    contour_kwargs = {}
+                contour_kwargs.setdefault('colors', 'k')
+                contour_kwargs.setdefault('linestyles', 'solid')
+                contour_kwargs.setdefault('algorithm', 'serial')
+
+                axes.contour(
+                    image_value,
+                    origin="upper",
+                    levels=np.unique(image_value),
+                    extent=(x_min, x_max, y_min, y_max),
+                    **contour_kwargs
+                )
+
+            # add legend showing which colors represent which material
+            # or cell if that was requested
+            if legend:
+                if plot.colors == {}:
+                    raise ValueError("Must pass 'colors' dictionary if you "
+                                     "are adding a legend via legend=True.")
+
+                if color_by == "cell":
+                    expected_key_type = openmc.Cell
+                else:
+                    expected_key_type = openmc.Material
+
+                patches = []
+                for key, color in plot.colors.items():
+
+                    if isinstance(key, int):
+                        raise TypeError(
+                            "Cannot use IDs in colors dict for auto legend.")
+                    elif not isinstance(key, expected_key_type):
+                        raise TypeError(
+                            "Color dict key type does not match color_by")
+
+                    # this works whether we're doing cells or materials
+                    label = key.name if key.name != '' else key.id
+
+                    # matplotlib takes RGB on 0-1 scale rather than 0-255. at
+                    # this point PlotBase has already checked that 3-tuple
+                    # based colors are already valid, so if the length is three
+                    # then we know it just needs to be converted to the 0-1
+                    # format.
+                    if len(color) == 3 and not isinstance(color, str):
+                        scaled_color = (
+                            color[0]/255, color[1]/255, color[2]/255)
+                    else:
+                        scaled_color = color
+
+                    key_patch = mpatches.Patch(color=scaled_color, label=label)
+                    patches.append(key_patch)
+
+                axes.legend(handles=patches, **legend_kwargs)
+
+            # Plot image and return the axes
+            if outline != 'only':
+                axes.imshow(img, extent=(x_min, x_max, y_min, y_max), **kwargs)
+
+
         if n_samples:
             # Sample external source particles
             particles = self.sample_external_source(n_samples)
 
-            # Determine plotting parameters and bounding box of geometry
-            bbox = self.geometry.bounding_box
-            origin = kwargs.get('origin', None)
-            basis = kwargs.get('basis', 'xy')
-            indices = {'xy': (0, 1, 2), 'xz': (0, 2, 1), 'yz': (1, 2, 0)}[basis]
-
-            # Infer origin if not provided
-            if np.isinf(bbox.extent[basis]).any():
-                if origin is None:
-                    origin = (0, 0, 0)
-            else:
-                if origin is None:
-                    # if nan values in the bbox.center they get replaced with 0.0
-                    # this happens when the bounding_box contains inf values
-                    with warnings.catch_warnings():
-                        warnings.simplefilter("ignore", RuntimeWarning)
-                        origin = np.nan_to_num(bbox.center)
-
-            slice_index = indices[2]
-            slice_value = origin[slice_index]
-
+            # Get points within tolerance of the slice plane
+            slice_value = origin[z]
             xs = []
             ys = []
             tol = plane_tolerance
             for particle in particles:
-                if (slice_value - tol < particle.r[slice_index] < slice_value + tol):
-                    xs.append(particle.r[indices[0]])
-                    ys.append(particle.r[indices[1]])
-            ax.scatter(xs, ys, **source_kwargs)
-        return ax
+                if (slice_value - tol < particle.r[z] < slice_value + tol):
+                    xs.append(particle.r[x])
+                    ys.append(particle.r[y])
+            axes.scatter(xs, ys, **source_kwargs)
+
+        return axes
 
     def sample_external_source(
             self,
diff --git a/openmc/plots.py b/openmc/plots.py
index 2bb3ef65f..a59a7f0eb 100644
--- a/openmc/plots.py
+++ b/openmc/plots.py
@@ -165,6 +165,91 @@ _SVG_COLORS = {
     'yellowgreen': (154, 205, 50)
 }
 
+_PLOT_PARAMS = """
+        Parameters
+        ----------
+        origin : iterable of float
+            Coordinates at the origin of the plot. If left as None,
+            the center of the bounding box will be used to attempt to ascertain
+            the origin with infinite values being replaced by 0.
+        width : iterable of float
+            Width of the plot in each basis direction. If left as none then the
+            width of the bounding box will be used to attempt to
+            ascertain the plot width. Defaults to (10, 10) if the bounding box
+            contains inf values.
+        pixels : Iterable of int or int
+            If iterable of ints provided then this directly sets the number of
+            pixels to use in each basis direction. If int provided then this
+            sets the total number of pixels in the plot and the number of
+            pixels in each basis direction is calculated from this total and
+            the image aspect ratio.
+        basis : {'xy', 'xz', 'yz'}
+            The basis directions for the plot
+        color_by : {'cell', 'material'}
+            Indicate whether the plot should be colored by cell or by material
+        colors : dict
+            Assigns colors to specific materials or cells. Keys are instances of
+            :class:`Cell` or :class:`Material` and values are RGB 3-tuples, RGBA
+            4-tuples, or strings indicating SVG color names. Red, green, blue,
+            and alpha should all be floats in the range [0.0, 1.0], for example:
+
+            .. code-block:: python
+
+                # Make water blue
+                water = openmc.Cell(fill=h2o)
+                universe.plot(..., colors={water: (0., 0., 1.))
+        seed : int
+            Seed for the random number generator
+        openmc_exec : str
+            Path to OpenMC executable.
+        axes : matplotlib.Axes
+            Axes to draw to
+
+            .. versionadded:: 0.13.1
+        legend : bool
+            Whether a legend showing material or cell names should be drawn
+
+            .. versionadded:: 0.14.0
+        outline : bool or str
+            Whether outlines between color boundaries should be drawn. If set to
+            'only', only outlines will be drawn.
+
+            .. versionadded:: 0.14.0
+        axis_units : {'km', 'm', 'cm', 'mm'}
+            Units used on the plot axis
+
+            .. versionadded:: 0.14.0
+        n_samples : int, optional
+            The number of source particles to sample and add to plot. Defaults
+            to None which doesn't plot any particles on the plot.
+        plane_tolerance: float
+            When plotting a plane the source locations within the plane +/-
+            the plane_tolerance will be included and those outside of the
+            plane_tolerance will not be shown
+        legend_kwargs : dict
+            Keyword arguments passed to :func:`matplotlib.pyplot.legend`.
+
+            .. versionadded:: 0.14.0
+        source_kwargs : dict, optional
+            Keyword arguments passed to :func:`matplotlib.pyplot.scatter`.
+        contour_kwargs : dict, optional
+            Keyword arguments passed to :func:`matplotlib.pyplot.contour`.
+        **kwargs
+            Keyword arguments passed to :func:`matplotlib.pyplot.imshow`.
+
+        Returns
+        -------
+        matplotlib.axes.Axes
+            Axes containing resulting image
+"""
+
+
+# Decorator for consistently adding plot parameters to docstrings (Model.plot,
+# Geometry.plot, Universe.plot, etc.)
+def add_plot_params(func):
+    func.__doc__ += _PLOT_PARAMS
+    return func
+
 
 def _get_plot_image(plot, cwd):
     from IPython.display import Image
diff --git a/openmc/region.py b/openmc/region.py
index e1cb83475..cb9f3abd2 100644
--- a/openmc/region.py
+++ b/openmc/region.py
@@ -8,6 +8,7 @@ import numpy as np
 
 import openmc
 from .bounding_box import BoundingBox
+from .plots import add_plot_params
 
 
 class Region(ABC):
@@ -343,47 +344,11 @@ class Region(ABC):
         return type(self)(n.rotate(rotation, pivot=pivot, order=order,
                                    inplace=inplace, memo=memo) for n in self)
 
+    @add_plot_params
     def plot(self, *args, **kwargs):
         """Display a slice plot of the region.
 
         .. versionadded:: 0.15.0
-
-        Parameters
-        ----------
-        origin : iterable of float
-            Coordinates at the origin of the plot. If left as None then the
-            bounding box center will be used to attempt to ascertain the origin.
-            Defaults to (0, 0, 0) if the bounding box is not finite
-        width : iterable of float
-            Width of the plot in each basis direction. If left as none then the
-            bounding box width will be used to attempt to ascertain the plot
-            width. Defaults to (10, 10) if the bounding box is not finite
-        pixels : Iterable of int or int
-            If iterable of ints provided, then this directly sets the number of
-            pixels to use in each basis direction. If int provided, then this
-            sets the total number of pixels in the plot and the number of pixels
-            in each basis direction is calculated from this total and the image
-            aspect ratio.
-        basis : {'xy', 'xz', 'yz'}
-            The basis directions for the plot
-        seed : int
-            Seed for the random number generator
-        openmc_exec : str
-            Path to OpenMC executable.
-        axes : matplotlib.Axes
-            Axes to draw to
-        outline : bool
-            Whether outlines between color boundaries should be drawn
-        axis_units : {'km', 'm', 'cm', 'mm'}
-            Units used on the plot axis
-        **kwargs
-            Keyword arguments passed to :func:`matplotlib.pyplot.imshow`
-
-        Returns
-        -------
-        matplotlib.axes.Axes
-            Axes containing resulting image
-
         """
         for key in ('color_by', 'colors', 'legend', 'legend_kwargs'):
             if key in kwargs:
diff --git a/openmc/universe.py b/openmc/universe.py
index 71ffa726b..02b794dee 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -1,17 +1,14 @@
 from __future__ import annotations
-import math
 from abc import ABC, abstractmethod
 from collections.abc import Iterable
 from numbers import Real
-from pathlib import Path
-from tempfile import TemporaryDirectory
-import warnings
 
 import numpy as np
 
 import openmc
 import openmc.checkvalue as cv
 from .mixin import IDManagerMixin
+from .plots import add_plot_params
 
 
 class UniverseBase(ABC, IDManagerMixin):
@@ -334,234 +331,21 @@ class UniverseBase(ABC, IDManagerMixin):
                     return [self, cell] + cell.fill.find(p)
         return []
 
-    # default kwargs that are passed to plt.legend in the plot method below.
-    _default_legend_kwargs = {'bbox_to_anchor': (
-        1.05, 1), 'loc': 2, 'borderaxespad': 0.0}
-
-    def plot(self, origin=None, width=None, pixels=40000,
-             basis='xy', color_by='cell', colors=None, seed=None,
-             openmc_exec='openmc', axes=None, legend=False, axis_units='cm',
-             legend_kwargs=_default_legend_kwargs, outline=False,
-             **kwargs):
+    @add_plot_params
+    def plot(self, *args, **kwargs):
         """Display a slice plot of the universe.
-
-        Parameters
-        ----------
-        origin : iterable of float
-            Coordinates at the origin of the plot. If left as None,
-            universe.bounding_box.center will be used to attempt to ascertain
-            the origin with infinite values being replaced by 0.
-        width : iterable of float
-            Width of the plot in each basis direction. If left as none then the
-            universe.bounding_box.width() will be used to attempt to
-            ascertain the plot width.  Defaults to (10, 10) if the bounding_box
-            contains inf values
-        pixels : Iterable of int or int
-            If iterable of ints provided then this directly sets the number of
-            pixels to use in each basis direction. If int provided then this
-            sets the total number of pixels in the plot and the number of
-            pixels in each basis direction is calculated from this total and
-            the image aspect ratio.
-        basis : {'xy', 'xz', 'yz'}
-            The basis directions for the plot
-        color_by : {'cell', 'material'}
-            Indicate whether the plot should be colored by cell or by material
-        colors : dict
-            Assigns colors to specific materials or cells. Keys are instances of
-            :class:`Cell` or :class:`Material` and values are RGB 3-tuples, RGBA
-            4-tuples, or strings indicating SVG color names. Red, green, blue,
-            and alpha should all be floats in the range [0.0, 1.0], for example:
-
-            .. code-block:: python
-
-               # Make water blue
-               water = openmc.Cell(fill=h2o)
-               universe.plot(..., colors={water: (0., 0., 1.))
-        seed : int
-            Seed for the random number generator
-        openmc_exec : str
-            Path to OpenMC executable.
-        axes : matplotlib.Axes
-            Axes to draw to
-
-            .. versionadded:: 0.13.1
-        legend : bool
-            Whether a legend showing material or cell names should be drawn
-
-            .. versionadded:: 0.14.0
-        legend_kwargs : dict
-            Keyword arguments passed to :func:`matplotlib.pyplot.legend`.
-
-            .. versionadded:: 0.14.0
-        outline : bool
-            Whether outlines between color boundaries should be drawn
-
-            .. versionadded:: 0.14.0
-        axis_units : {'km', 'm', 'cm', 'mm'}
-            Units used on the plot axis
-
-            .. versionadded:: 0.14.0
-        **kwargs
-            Keyword arguments passed to :func:`matplotlib.pyplot.imshow`
-
-        Returns
-        -------
-        matplotlib.axes.Axes
-            Axes containing resulting image
-
         """
-        import matplotlib.image as mpimg
-        import matplotlib.patches as mpatches
-        import matplotlib.pyplot as plt
+        model = openmc.Model()
+        model.geometry = openmc.Geometry(self)
 
-        # Determine extents of plot
-        if basis == 'xy':
-            x, y = 0, 1
-            xlabel, ylabel = f'x [{axis_units}]', f'y [{axis_units}]'
-        elif basis == 'yz':
-            x, y = 1, 2
-            xlabel, ylabel = f'y [{axis_units}]', f'z [{axis_units}]'
-        elif basis == 'xz':
-            x, y = 0, 2
-            xlabel, ylabel = f'x [{axis_units}]', f'z [{axis_units}]'
+        # Determine whether any materials contains macroscopic data and if
+        # so, set energy mode accordingly
+        for mat in self.get_all_materials().values():
+            if mat._macroscopic is not None:
+                model.settings.energy_mode = 'multi-group'
+                break
 
-        bb = self.bounding_box
-        # checks to see if bounding box contains -inf or inf values
-        if np.isinf(bb.extent[basis]).any():
-            if origin is None:
-                origin = (0, 0, 0)
-            if width is None:
-                width = (10, 10)
-        else:
-            if origin is None:
-                # if nan values in the bb.center they get replaced with 0.0
-                # this happens when the bounding_box contains inf values
-                with warnings.catch_warnings():
-                    warnings.simplefilter("ignore", RuntimeWarning)
-                    origin = np.nan_to_num(bb.center)
-            if width is None:
-                bb_width = bb.width
-                x_width = bb_width['xyz'.index(basis[0])]
-                y_width = bb_width['xyz'.index(basis[1])]
-                width = (x_width, y_width)
-
-        if isinstance(pixels, int):
-            aspect_ratio = width[0] / width[1]
-            pixels_y = math.sqrt(pixels / aspect_ratio)
-            pixels = (int(pixels / pixels_y), int(pixels_y))
-
-        axis_scaling_factor = {'km': 0.00001, 'm': 0.01, 'cm': 1, 'mm': 10}
-
-        x_min = (origin[x] - 0.5*width[0]) * axis_scaling_factor[axis_units]
-        x_max = (origin[x] + 0.5*width[0]) * axis_scaling_factor[axis_units]
-        y_min = (origin[y] - 0.5*width[1]) * axis_scaling_factor[axis_units]
-        y_max = (origin[y] + 0.5*width[1]) * axis_scaling_factor[axis_units]
-
-        with TemporaryDirectory() as tmpdir:
-            model = openmc.Model()
-            model.geometry = openmc.Geometry(self)
-            if seed is not None:
-                model.settings.plot_seed = seed
-
-            # Determine whether any materials contains macroscopic data and if
-            # so, set energy mode accordingly
-            for mat in self.get_all_materials().values():
-                if mat._macroscopic is not None:
-                    model.settings.energy_mode = 'multi-group'
-                    break
-
-            # Create plot object matching passed arguments
-            plot = openmc.Plot()
-            plot.origin = origin
-            plot.width = width
-            plot.pixels = pixels
-            plot.basis = basis
-            plot.color_by = color_by
-            if colors is not None:
-                plot.colors = colors
-            model.plots.append(plot)
-
-            # Run OpenMC in geometry plotting mode
-            model.plot_geometry(False, cwd=tmpdir, openmc_exec=openmc_exec)
-
-            # Read image from file
-            img_path = Path(tmpdir) / f'plot_{plot.id}.png'
-            if not img_path.is_file():
-                img_path = img_path.with_suffix('.ppm')
-            img = mpimg.imread(str(img_path))
-
-            # Create a figure sized such that the size of the axes within
-            # exactly matches the number of pixels specified
-            if axes is None:
-                px = 1/plt.rcParams['figure.dpi']
-                fig, axes = plt.subplots()
-                axes.set_xlabel(xlabel)
-                axes.set_ylabel(ylabel)
-                params = fig.subplotpars
-                width = pixels[0]*px/(params.right - params.left)
-                height = pixels[1]*px/(params.top - params.bottom)
-                fig.set_size_inches(width, height)
-
-            if outline:
-                # Combine R, G, B values into a single int
-                rgb = (img * 256).astype(int)
-                image_value = (rgb[..., 0] << 16) + \
-                    (rgb[..., 1] << 8) + (rgb[..., 2])
-
-                axes.contour(
-                    image_value,
-                    origin="upper",
-                    colors="k",
-                    linestyles="solid",
-                    linewidths=1,
-                    levels=np.unique(image_value),
-                    extent=(x_min, x_max, y_min, y_max),
-                )
-
-            # add legend showing which colors represent which material
-            # or cell if that was requested
-            if legend:
-                if plot.colors == {}:
-                    raise ValueError("Must pass 'colors' dictionary if you "
-                                     "are adding a legend via legend=True.")
-
-                if color_by == "cell":
-                    expected_key_type = openmc.Cell
-                else:
-                    expected_key_type = openmc.Material
-
-                patches = []
-                for key, color in plot.colors.items():
-
-                    if isinstance(key, int):
-                        raise TypeError(
-                            "Cannot use IDs in colors dict for auto legend.")
-                    elif not isinstance(key, expected_key_type):
-                        raise TypeError(
-                            "Color dict key type does not match color_by")
-
-                    # this works whether we're doing cells or materials
-                    label = key.name if key.name != '' else key.id
-
-                    # matplotlib takes RGB on 0-1 scale rather than 0-255. at
-                    # this point PlotBase has already checked that 3-tuple
-                    # based colors are already valid, so if the length is three
-                    # then we know it just needs to be converted to the 0-1
-                    # format.
-                    if len(color) == 3 and not isinstance(color, str):
-                        scaled_color = (
-                            color[0]/255, color[1]/255, color[2]/255)
-                    else:
-                        scaled_color = color
-
-                    key_patch = mpatches.Patch(color=scaled_color, label=label)
-                    patches.append(key_patch)
-
-                axes.legend(handles=patches, **legend_kwargs)
-
-            # Plot image and return the axes
-            axes.imshow(img, extent=(x_min, x_max, y_min, y_max), **kwargs)
-            return axes
+        return model.plot(*args, **kwargs)
 
     def get_nuclides(self):
         """Returns all nuclides in the universe

From 6e0f156d33527c5bdd693021bf419ae40c6cd649 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 4 Feb 2025 10:38:37 -0600
Subject: [PATCH 2230/2654] Fix Tabular.from_xml_element for histogram case
 (#3287)

---
 openmc/stats/univariate.py     |  5 +++--
 src/distribution.cpp           |  6 +++++-
 tests/unit_tests/test_stats.py | 33 +++++++++++++++++++++++----------
 3 files changed, 31 insertions(+), 13 deletions(-)

diff --git a/openmc/stats/univariate.py b/openmc/stats/univariate.py
index 0dc6f3856..e0475bf78 100644
--- a/openmc/stats/univariate.py
+++ b/openmc/stats/univariate.py
@@ -1116,8 +1116,9 @@ class Tabular(Univariate):
         """
         interpolation = get_text(elem, 'interpolation')
         params = [float(x) for x in get_text(elem, 'parameters').split()]
-        x = params[:len(params)//2]
-        p = params[len(params)//2:]
+        m = (len(params) + 1)//2  # +1 for when len(params) is odd
+        x = params[:m]
+        p = params[m:]
         return cls(x, p, interpolation)
 
     def integral(self):
diff --git a/src/distribution.cpp b/src/distribution.cpp
index a6b4acd58..8c700460f 100644
--- a/src/distribution.cpp
+++ b/src/distribution.cpp
@@ -258,8 +258,12 @@ Tabular::Tabular(pugi::xml_node node)
     interp_ = Interpolation::histogram;
   }
 
-  // Read and initialize tabular distribution
+  // Read and initialize tabular distribution. If number of parameters is odd,
+  // add an extra zero for the 'p' array.
   auto params = get_node_array<double>(node, "parameters");
+  if (params.size() % 2 != 0) {
+    params.push_back(0.0);
+  }
   std::size_t n = params.size() / 2;
   const double* x = params.data();
   const double* p = x + n;
diff --git a/tests/unit_tests/test_stats.py b/tests/unit_tests/test_stats.py
index 643e11556..386181f34 100644
--- a/tests/unit_tests/test_stats.py
+++ b/tests/unit_tests/test_stats.py
@@ -195,19 +195,10 @@ def test_watt():
 
 
 def test_tabular():
+    # test linear-linear sampling
     x = np.array([0.0, 5.0, 7.0, 10.0])
     p = np.array([10.0, 20.0, 5.0, 6.0])
     d = openmc.stats.Tabular(x, p, 'linear-linear')
-    elem = d.to_xml_element('distribution')
-
-    d = openmc.stats.Tabular.from_xml_element(elem)
-    assert all(d.x == x)
-    assert all(d.p == p)
-    assert d.interpolation == 'linear-linear'
-    assert len(d) == len(x)
-
-    # test linear-linear sampling
-    d = openmc.stats.Tabular(x, p)
     n_samples = 100_000
     samples = d.sample(n_samples)
     assert_sample_mean(samples, d.mean())
@@ -242,6 +233,28 @@ def test_tabular():
     d.cdf()
 
 
+def test_tabular_from_xml():
+    x = np.array([0.0, 5.0, 7.0, 10.0])
+    p = np.array([10.0, 20.0, 5.0, 6.0])
+    d = openmc.stats.Tabular(x, p, 'linear-linear')
+    elem = d.to_xml_element('distribution')
+
+    d = openmc.stats.Tabular.from_xml_element(elem)
+    assert all(d.x == x)
+    assert all(d.p == p)
+    assert d.interpolation == 'linear-linear'
+    assert len(d) == len(x)
+
+    # Make sure XML roundtrip works with len(x) == len(p) + 1
+    x = np.array([0.0, 5.0, 7.0, 10.0])
+    p = np.array([10.0, 20.0, 5.0])
+    d = openmc.stats.Tabular(x, p, 'histogram')
+    elem = d.to_xml_element('distribution')
+    d = openmc.stats.Tabular.from_xml_element(elem)
+    assert all(d.x == x)
+    assert all(d.p == p)
+
+
 def test_legendre():
     # Pu239 elastic scattering at 100 keV
     coeffs = [1.000e+0, 1.536e-1, 1.772e-2, 5.945e-4, 3.497e-5, 1.881e-5]

From 7e033b25ada8f8582f1a95fe74d0f6e11bbfd16b Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Tue, 11 Feb 2025 09:15:43 +0100
Subject: [PATCH 2231/2654] added terminal output showing compile options
 selected (#3291)

Co-authored-by: Jon Shimwell <jon@proximafusion.com>
---
 CMakeLists.txt | 11 +++++++++++
 1 file changed, 11 insertions(+)

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 575e45373..e15de1b6f 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -36,6 +36,17 @@ option(OPENMC_USE_MCPL        "Enable MCPL"
 option(OPENMC_USE_NCRYSTAL    "Enable support for NCrystal scattering"               OFF)
 option(OPENMC_USE_UWUW        "Enable UWUW"                                          OFF)
 
+message(STATUS "OPENMC_USE_OPENMP ${OPENMC_USE_OPENMP}")
+message(STATUS "OPENMC_BUILD_TESTS ${OPENMC_BUILD_TESTS}")
+message(STATUS "OPENMC_ENABLE_PROFILE ${OPENMC_ENABLE_PROFILE}")
+message(STATUS "OPENMC_ENABLE_COVERAGE ${OPENMC_ENABLE_COVERAGE}")
+message(STATUS "OPENMC_USE_DAGMC ${OPENMC_USE_DAGMC}")
+message(STATUS "OPENMC_USE_LIBMESH ${OPENMC_USE_LIBMESH}")
+message(STATUS "OPENMC_USE_MPI ${OPENMC_USE_MPI}")
+message(STATUS "OPENMC_USE_MCPL ${OPENMC_USE_MCPL}")
+message(STATUS "OPENMC_USE_NCRYSTAL ${OPENMC_USE_NCRYSTAL}")
+message(STATUS "OPENMC_USE_UWUW ${OPENMC_USE_UWUW}")
+
 # Warnings for deprecated options
 foreach(OLD_OPT IN ITEMS "openmp" "profile" "coverage" "dagmc" "libmesh")
   if(DEFINED ${OLD_OPT})

From 27ce2ceee3e666d211cdd5d9db25300dada67fa1 Mon Sep 17 00:00:00 2001
From: Thomas Kittelmann <tkittel@users.noreply.github.com>
Date: Tue, 11 Feb 2025 15:18:27 +0100
Subject: [PATCH 2232/2654] Updates for building with NCrystal support (and fix
 CI) (#3274)

---
 CMakeLists.txt                                | 10 +++-
 cmake/OpenMCConfig.cmake.in                   | 10 +++-
 docs/source/usersguide/install.rst            |  5 +-
 include/openmc/ncrystal_interface.h           | 16 ++-----
 .../ncrystal/results_true.dat                 | 14 +++---
 tools/ci/gha-install-ncrystal.sh              | 46 -------------------
 tools/ci/gha-install.py                       |  2 -
 tools/ci/gha-install.sh                       |  4 +-
 tools/ci/gha-script.sh                        |  2 -
 9 files changed, 33 insertions(+), 76 deletions(-)
 delete mode 100755 tools/ci/gha-install-ncrystal.sh

diff --git a/CMakeLists.txt b/CMakeLists.txt
index e15de1b6f..f7079aebc 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -121,7 +121,15 @@ endmacro()
 #===============================================================================
 
 if(OPENMC_USE_NCRYSTAL)
-  find_package(NCrystal REQUIRED)
+  if(NOT DEFINED "NCrystal_DIR")
+    #Invocation of "ncrystal-config --show cmakedir" is needed to find NCrystal
+    #when it is installed from Python wheels:
+    execute_process(
+      COMMAND "ncrystal-config" "--show" "cmakedir"
+      OUTPUT_VARIABLE "NCrystal_DIR" OUTPUT_STRIP_TRAILING_WHITESPACE
+    )
+  endif()
+  find_package(NCrystal 3.8.0 REQUIRED)
   message(STATUS "Found NCrystal: ${NCrystal_DIR} (version ${NCrystal_VERSION})")
 endif()
 
diff --git a/cmake/OpenMCConfig.cmake.in b/cmake/OpenMCConfig.cmake.in
index b3b901de4..b02bbffe5 100644
--- a/cmake/OpenMCConfig.cmake.in
+++ b/cmake/OpenMCConfig.cmake.in
@@ -10,6 +10,14 @@ if(@OPENMC_USE_DAGMC@)
 endif()
 
 if(@OPENMC_USE_NCRYSTAL@)
+  if(NOT DEFINED "NCrystal_DIR")
+    #Invocation of "ncrystal-config --show cmakedir" is needed to find NCrystal
+    #when it is installed from Python wheels:
+    execute_process(
+      COMMAND "ncrystal-config" "--show" "cmakedir"
+      OUTPUT_VARIABLE "NCrystal_DIR" OUTPUT_STRIP_TRAILING_WHITESPACE
+    )
+  endif()
   find_package(NCrystal REQUIRED)
   message(STATUS "Found NCrystal: ${NCrystal_DIR} (version ${NCrystal_VERSION})")
 endif()
@@ -41,4 +49,4 @@ endif()
 
 if(@OPENMC_USE_UWUW@ AND NOT ${DAGMC_BUILD_UWUW})
   message(FATAL_ERROR "UWUW is enabled in OpenMC but the DAGMC installation discovered was not configured with UWUW.")
-endif()
\ No newline at end of file
+endif()
diff --git a/docs/source/usersguide/install.rst b/docs/source/usersguide/install.rst
index 1c0b7fa5b..b86f5fee0 100644
--- a/docs/source/usersguide/install.rst
+++ b/docs/source/usersguide/install.rst
@@ -287,9 +287,8 @@ Prerequisites
       Adding this option allows the creation of materials from NCrystal, which
       replaces the scattering kernel treatment of ACE files with a modular,
       on-the-fly approach. To use it `install
-      <https://github.com/mctools/ncrystal/wiki/Get-NCrystal>`_ and `initialize
-      <https://github.com/mctools/ncrystal/wiki/Using-NCrystal#setting-up>`_
-      NCrystal and turn on the option in the CMake configuration step::
+      <https://github.com/mctools/ncrystal/wiki/Get-NCrystal>`_ NCrystal and
+      turn on the option in the CMake configuration step::
 
           cmake -DOPENMC_USE_NCRYSTAL=on ..
 
diff --git a/include/openmc/ncrystal_interface.h b/include/openmc/ncrystal_interface.h
index 5a3882df9..22422e378 100644
--- a/include/openmc/ncrystal_interface.h
+++ b/include/openmc/ncrystal_interface.h
@@ -2,7 +2,6 @@
 #define OPENMC_NCRYSTAL_INTERFACE_H
 
 #ifdef NCRYSTAL
-#include "NCrystal/NCRNG.hh"
 #include "NCrystal/NCrystal.hh"
 #endif
 
@@ -58,19 +57,10 @@ public:
 
   //----------------------------------------------------------------------------
   // Trivial methods when compiling without NCRYSTAL
-  std::string cfg() const
-  {
-    return "";
-  }
-  double xs(const Particle& p) const
-  {
-    return -1.0;
-  }
+  std::string cfg() const { return ""; }
+  double xs(const Particle& p) const { return -1.0; }
   void scatter(Particle& p) const {}
-  operator bool() const
-  {
-    return false;
-  }
+  operator bool() const { return false; }
 #endif
 
 private:
diff --git a/tests/regression_tests/ncrystal/results_true.dat b/tests/regression_tests/ncrystal/results_true.dat
index 3ef0306fd..28c02c51c 100644
--- a/tests/regression_tests/ncrystal/results_true.dat
+++ b/tests/regression_tests/ncrystal/results_true.dat
@@ -106,8 +106,8 @@
 104        1         1.82e+00          1.83e+00         1   total  current 1.10e-05   4.07e-06
 105        1         1.83e+00          1.85e+00         1   total  current 1.50e-05   4.01e-06
 106        1         1.85e+00          1.87e+00         1   total  current 1.90e-05   4.82e-06
-107        1         1.87e+00          1.88e+00         1   total  current 2.20e-05   3.89e-06
-108        1         1.88e+00          1.90e+00         1   total  current 2.10e-05   3.79e-06
+107        1         1.87e+00          1.88e+00         1   total  current 2.30e-05   3.96e-06
+108        1         1.88e+00          1.90e+00         1   total  current 2.00e-05   3.94e-06
 109        1         1.90e+00          1.92e+00         1   total  current 1.50e-05   3.42e-06
 110        1         1.92e+00          1.94e+00         1   total  current 2.20e-05   5.12e-06
 111        1         1.94e+00          1.95e+00         1   total  current 2.10e-05   5.86e-06
@@ -118,12 +118,12 @@
 116        1         2.02e+00          2.04e+00         1   total  current 1.30e-05   3.35e-06
 117        1         2.04e+00          2.06e+00         1   total  current 1.90e-05   4.07e-06
 118        1         2.06e+00          2.08e+00         1   total  current 1.30e-05   3.00e-06
-119        1         2.08e+00          2.09e+00         1   total  current 1.40e-05   4.00e-06
-120        1         2.09e+00          2.11e+00         1   total  current 3.10e-05   5.47e-06
+119        1         2.08e+00          2.09e+00         1   total  current 1.50e-05   4.28e-06
+120        1         2.09e+00          2.11e+00         1   total  current 3.00e-05   4.94e-06
 121        1         2.11e+00          2.13e+00         1   total  current 2.30e-05   5.39e-06
 122        1         2.13e+00          2.15e+00         1   total  current 2.20e-05   4.67e-06
-123        1         2.15e+00          2.16e+00         1   total  current 1.70e-05   4.48e-06
-124        1         2.16e+00          2.18e+00         1   total  current 1.60e-05   4.00e-06
+123        1         2.15e+00          2.16e+00         1   total  current 1.80e-05   4.67e-06
+124        1         2.16e+00          2.18e+00         1   total  current 1.50e-05   4.01e-06
 125        1         2.18e+00          2.20e+00         1   total  current 1.80e-05   4.16e-06
 126        1         2.20e+00          2.22e+00         1   total  current 1.80e-05   4.42e-06
 127        1         2.22e+00          2.23e+00         1   total  current 1.80e-05   5.54e-06
@@ -135,7 +135,7 @@
 133        1         2.32e+00          2.34e+00         1   total  current 2.30e-05   3.96e-06
 134        1         2.34e+00          2.36e+00         1   total  current 1.90e-05   3.48e-06
 135        1         2.36e+00          2.37e+00         1   total  current 1.60e-05   3.71e-06
-136        1         2.37e+00          2.39e+00         1   total  current 1.60e-05   4.27e-06
+136        1         2.37e+00          2.39e+00         1   total  current 1.70e-05   4.48e-06
 137        1         2.39e+00          2.41e+00         1   total  current 2.30e-05   4.48e-06
 138        1         2.41e+00          2.43e+00         1   total  current 2.10e-05   3.48e-06
 139        1         2.43e+00          2.44e+00         1   total  current 1.60e-05   2.21e-06
diff --git a/tools/ci/gha-install-ncrystal.sh b/tools/ci/gha-install-ncrystal.sh
deleted file mode 100755
index 16f77e13e..000000000
--- a/tools/ci/gha-install-ncrystal.sh
+++ /dev/null
@@ -1,46 +0,0 @@
-#!/bin/bash
-set -ex
-cd $HOME
-
-#Use the NCrystal develop branch (in the near future we can move this to master):
-git clone https://github.com/mctools/ncrystal --branch develop --single-branch --depth 1 ncrystal_src
-
-SRC_DIR="$PWD/ncrystal_src"
-BLD_DIR="$PWD/ncrystal_bld"
-INST_DIR="$PWD/ncrystal_inst"
-PYTHON=$(which python3)
-
-CPU_COUNT=1
-
-mkdir "$BLD_DIR"
-cd ncrystal_bld
-
-cmake \
-    "${SRC_DIR}" \
-    -DBUILD_SHARED_LIBS=ON \
-    -DNCRYSTAL_NOTOUCH_CMAKE_BUILD_TYPE=ON \
-    -DNCRYSTAL_MODIFY_RPATH=OFF \
-    -DCMAKE_BUILD_TYPE=Release \
-    -DNCRYSTAL_ENABLE_EXAMPLES=OFF \
-    -DNCRYSTAL_ENABLE_SETUPSH=OFF \
-    -DNCRYSTAL_ENABLE_DATA=EMBED \
-    -DCMAKE_INSTALL_PREFIX="${INST_DIR}" \
-    -DPython3_EXECUTABLE="$PYTHON"
-
-make -j${CPU_COUNT:-1}
-make install
-
-#Note: There is no "make test" or "make ctest" functionality for NCrystal
-#      yet. If it appears in the future, we should add it here.
-
-# Output the configuration to the log
-
-"${INST_DIR}/bin/ncrystal-config" --setup
-
-# Change environmental variables
-
-eval $( "${INST_DIR}/bin/ncrystal-config" --setup )
-
-# Check installation worked
-
-nctool --test
diff --git a/tools/ci/gha-install.py b/tools/ci/gha-install.py
index d52c4c825..1eb9a55b4 100644
--- a/tools/ci/gha-install.py
+++ b/tools/ci/gha-install.py
@@ -42,8 +42,6 @@ def install(omp=False, mpi=False, phdf5=False, dagmc=False, libmesh=False, ncrys
 
     if ncrystal:
         cmake_cmd.append('-DOPENMC_USE_NCRYSTAL=ON')
-        ncrystal_path = os.environ.get('HOME') + '/ncrystal_inst'
-        cmake_cmd.append(f'-DCMAKE_PREFIX_PATH={ncrystal_path}')
 
     # Build in coverage mode for coverage testing
     cmake_cmd.append('-DOPENMC_ENABLE_COVERAGE=on')
diff --git a/tools/ci/gha-install.sh b/tools/ci/gha-install.sh
index cff7dc834..50f110ed4 100755
--- a/tools/ci/gha-install.sh
+++ b/tools/ci/gha-install.sh
@@ -16,7 +16,9 @@ fi
 
 # Install NCrystal if needed
 if [[ $NCRYSTAL = 'y' ]]; then
-    ./tools/ci/gha-install-ncrystal.sh
+    pip install 'ncrystal>=4.0.0'
+    #Basic quick verification:
+    nctool --test
 fi
 
 # Install vectfit for WMP generation if needed
diff --git a/tools/ci/gha-script.sh b/tools/ci/gha-script.sh
index 9de84f3e5..4733907eb 100755
--- a/tools/ci/gha-script.sh
+++ b/tools/ci/gha-script.sh
@@ -16,8 +16,6 @@ fi
 
 # Check NCrystal installation
 if [[ $NCRYSTAL = 'y' ]]; then
-  # Change environmental variables
-  eval $( "${HOME}/ncrystal_inst/bin/ncrystal-config" --setup )
   nctool --test
 fi
 

From 04393200cc79defe5cbfc5484376ea5d753f067c Mon Sep 17 00:00:00 2001
From: John Tramm <john.tramm@gmail.com>
Date: Tue, 11 Feb 2025 11:23:26 -0600
Subject: [PATCH 2233/2654] Random Ray Source Region Refactor (#3288)

---
 CMakeLists.txt                                |   1 +
 include/openmc/openmp_interface.h             |  12 +-
 .../openmc/random_ray/flat_source_domain.h    | 132 +-----
 .../openmc/random_ray/linear_source_domain.h  |  30 +-
 include/openmc/random_ray/source_region.h     | 400 ++++++++++++++++++
 src/random_ray/flat_source_domain.cpp         | 290 +++++--------
 src/random_ray/linear_source_domain.cpp       | 129 ++----
 src/random_ray/random_ray.cpp                 |  60 ++-
 src/random_ray/random_ray_simulation.cpp      |   2 +-
 src/random_ray/source_region.cpp              | 236 +++++++++++
 10 files changed, 832 insertions(+), 460 deletions(-)
 create mode 100644 include/openmc/random_ray/source_region.h
 create mode 100644 src/random_ray/source_region.cpp

diff --git a/CMakeLists.txt b/CMakeLists.txt
index f7079aebc..94caec757 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -401,6 +401,7 @@ list(APPEND libopenmc_SOURCES
   src/random_ray/flat_source_domain.cpp
   src/random_ray/linear_source_domain.cpp
   src/random_ray/moment_matrix.cpp
+  src/random_ray/source_region.cpp
   src/reaction.cpp
   src/reaction_product.cpp
   src/scattdata.cpp
diff --git a/include/openmc/openmp_interface.h b/include/openmc/openmp_interface.h
index fe517415b..30bd6f008 100644
--- a/include/openmc/openmp_interface.h
+++ b/include/openmc/openmp_interface.h
@@ -36,13 +36,15 @@ inline int thread_num()
 
 class OpenMPMutex {
 public:
-  OpenMPMutex()
+  void init()
   {
 #ifdef _OPENMP
     omp_init_lock(&mutex_);
 #endif
   }
 
+  OpenMPMutex() { init(); }
+
   ~OpenMPMutex()
   {
 #ifdef _OPENMP
@@ -62,14 +64,10 @@ public:
   // rather, it produces two different mutexes.
 
   // Copy constructor
-  OpenMPMutex(const OpenMPMutex& other) { OpenMPMutex(); }
+  OpenMPMutex(const OpenMPMutex& other) { init(); }
 
   // Copy assignment operator
-  OpenMPMutex& operator=(const OpenMPMutex& other)
-  {
-    OpenMPMutex();
-    return *this;
-  }
+  OpenMPMutex& operator=(const OpenMPMutex& other) { return *this; }
 
   //! Lock the mutex.
   //
diff --git a/include/openmc/random_ray/flat_source_domain.h b/include/openmc/random_ray/flat_source_domain.h
index b5b5db706..011ff7ccd 100644
--- a/include/openmc/random_ray/flat_source_domain.h
+++ b/include/openmc/random_ray/flat_source_domain.h
@@ -4,83 +4,12 @@
 #include "openmc/constants.h"
 #include "openmc/openmp_interface.h"
 #include "openmc/position.h"
+#include "openmc/random_ray/source_region.h"
 #include "openmc/source.h"
+#include <unordered_set>
 
 namespace openmc {
 
-//----------------------------------------------------------------------------
-// Helper Functions
-
-// The hash_combine function is the standard hash combine function from boost
-// that is typically used for combining multiple hash values into a single hash
-// as is needed for larger objects being stored in a hash map. The function is
-// taken from:
-// https://www.boost.org/doc/libs/1_55_0/doc/html/hash/reference.html#boost.hash_combine
-// which carries the following license:
-//
-// Boost Software License - Version 1.0 - August 17th, 2003
-// Permission is hereby granted, free of charge, to any person or organization
-// obtaining a copy of the software and accompanying documentation covered by
-// this license (the "Software") to use, reproduce, display, distribute,
-// execute, and transmit the Software, and to prepare derivative works of the
-// Software, and to permit third-parties to whom the Software is furnished to
-// do so, all subject to the following:
-// The copyright notices in the Software and this entire statement, including
-// the above license grant, this restriction and the following disclaimer,
-// must be included in all copies of the Software, in whole or in part, and
-// all derivative works of the Software, unless such copies or derivative
-// works are solely in the form of machine-executable object code generated by
-// a source language processor.
-// THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
-// IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
-// FITNESS FOR A PARTICULAR PURPOSE, TITLE AND NON-INFRINGEMENT. IN NO EVENT
-// SHALL THE COPYRIGHT HOLDERS OR ANYONE DISTRIBUTING THE SOFTWARE BE LIABLE
-// FOR ANY DAMAGES OR OTHER LIABILITY, WHETHER IN CONTRACT, TORT OR OTHERWISE,
-// ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER
-// DEALINGS IN THE SOFTWARE.
-inline void hash_combine(size_t& seed, const size_t v)
-{
-  seed ^= (v + 0x9e3779b9 + (seed << 6) + (seed >> 2));
-}
-
-//----------------------------------------------------------------------------
-// Helper Structs
-
-// A mapping object that is used to map between a specific random ray
-// source region and an OpenMC native tally bin that it should score to
-// every iteration.
-struct TallyTask {
-  int tally_idx;
-  int filter_idx;
-  int score_idx;
-  int score_type;
-  TallyTask(int tally_idx, int filter_idx, int score_idx, int score_type)
-    : tally_idx(tally_idx), filter_idx(filter_idx), score_idx(score_idx),
-      score_type(score_type)
-  {}
-  TallyTask() = default;
-
-  // Comparison and Hash operators are defined to allow usage of the
-  // TallyTask struct as a key in an unordered_set
-  bool operator==(const TallyTask& other) const
-  {
-    return tally_idx == other.tally_idx && filter_idx == other.filter_idx &&
-           score_idx == other.score_idx && score_type == other.score_type;
-  }
-
-  struct HashFunctor {
-    size_t operator()(const TallyTask& task) const
-    {
-      size_t seed = 0;
-      hash_combine(seed, task.tally_idx);
-      hash_combine(seed, task.filter_idx);
-      hash_combine(seed, task.score_idx);
-      hash_combine(seed, task.score_type);
-      return seed;
-    }
-  };
-};
-
 /*
  * The FlatSourceDomain class encompasses data and methods for storing
  * scalar flux and source region for all flat source regions in a
@@ -108,15 +37,16 @@ public:
   void random_ray_tally();
   virtual void accumulate_iteration_flux();
   void output_to_vtk() const;
-  virtual void all_reduce_replicated_source_regions();
+  void all_reduce_replicated_source_regions();
   void convert_external_sources();
   void count_external_source_regions();
   void set_adjoint_sources(const vector<double>& forward_flux);
-  virtual void flux_swap();
+  void flux_swap();
   virtual double evaluate_flux_at_point(Position r, int64_t sr, int g) const;
   double compute_fixed_source_normalization_factor() const;
   void flatten_xs();
   void transpose_scattering_matrix();
+  void serialize_final_fluxes(vector<double>& flux);
 
   //----------------------------------------------------------------------------
   // Static Data members
@@ -129,7 +59,6 @@ public:
 
   //----------------------------------------------------------------------------
   // Public Data members
-
   bool mapped_all_tallies_ {false}; // If all source regions have been visited
 
   int64_t n_source_regions_ {0}; // Total number of source regions in the model
@@ -140,22 +69,6 @@ public:
   // in model::cells
   vector<int64_t> source_region_offsets_;
 
-  // 1D arrays representing values for all source regions
-  vector<OpenMPMutex> lock_;
-  vector<double> volume_;
-  vector<double> volume_t_;
-  vector<int> position_recorded_;
-  vector<Position> position_;
-
-  // 2D arrays stored in 1D representing values for all source regions x energy
-  // groups
-  vector<double> scalar_flux_old_;
-  vector<double> scalar_flux_new_;
-  vector<float> source_;
-  vector<float> external_source_;
-  vector<bool> external_source_present_;
-  vector<double> scalar_flux_final_;
-
   // 2D arrays stored in 1D representing values for all materials x energy
   // groups
   int n_materials_;
@@ -168,20 +81,22 @@ public:
   // groups x energy groups
   vector<double> sigma_s_;
 
+  // The abstract container holding all source region-specific data
+  SourceRegionContainer source_regions_;
+
 protected:
   //----------------------------------------------------------------------------
   // Methods
   void apply_external_source_to_source_region(
-    Discrete* discrete, double strength_factor, int64_t source_region);
+    Discrete* discrete, double strength_factor, int64_t sr);
   void apply_external_source_to_cell_instances(int32_t i_cell,
     Discrete* discrete, double strength_factor, int target_material_id,
     const vector<int32_t>& instances);
   void apply_external_source_to_cell_and_children(int32_t i_cell,
     Discrete* discrete, double strength_factor, int32_t target_material_id);
-  virtual void set_flux_to_flux_plus_source(
-    int64_t idx, double volume, int material, int g);
-  void set_flux_to_source(int64_t idx);
-  virtual void set_flux_to_old_flux(int64_t idx);
+  virtual void set_flux_to_flux_plus_source(int64_t sr, double volume, int g);
+  void set_flux_to_source(int64_t sr, int g);
+  virtual void set_flux_to_old_flux(int64_t sr, int g);
 
   //----------------------------------------------------------------------------
   // Private data members
@@ -193,20 +108,6 @@ protected:
     simulation_volume_; // Total physical volume of the simulation domain, as
                         // defined by the 3D box of the random ray source
 
-  // 2D array representing values for all source elements x tally
-  // tasks
-  vector<vector<TallyTask>> tally_task_;
-
-  // 1D array representing values for all source regions, with each region
-  // containing a set of volume tally tasks. This more complicated data
-  // structure is convenient for ensuring that volumes are only tallied once per
-  // source region, regardless of how many energy groups are used for tallying.
-  vector<std::unordered_set<TallyTask, TallyTask::HashFunctor>> volume_task_;
-
-  // 1D arrays representing values for all source regions
-  vector<int> material_;
-  vector<double> volume_naive_;
-
   // Volumes for each tally and bin/score combination. This intermediate data
   // structure is used when tallying quantities that must be normalized by
   // volume (i.e., flux). The vector is index by tally index, while the inner 2D
@@ -250,15 +151,6 @@ T convert_to_big_endian(T in)
   return out;
 }
 
-template<typename T>
-void parallel_fill(vector<T>& arr, T value)
-{
-#pragma omp parallel for schedule(static)
-  for (int i = 0; i < arr.size(); i++) {
-    arr[i] = value;
-  }
-}
-
 } // namespace openmc
 
 #endif // OPENMC_RANDOM_RAY_FLAT_SOURCE_DOMAIN_H
diff --git a/include/openmc/random_ray/linear_source_domain.h b/include/openmc/random_ray/linear_source_domain.h
index 4812d1433..67fdd99f8 100644
--- a/include/openmc/random_ray/linear_source_domain.h
+++ b/include/openmc/random_ray/linear_source_domain.h
@@ -18,48 +18,22 @@ namespace openmc {
 
 class LinearSourceDomain : public FlatSourceDomain {
 public:
-  //----------------------------------------------------------------------------
-  // Constructors
-  LinearSourceDomain();
-
   //----------------------------------------------------------------------------
   // Methods
   void update_neutron_source(double k_eff) override;
-  double compute_k_eff(double k_eff_old) const;
   void normalize_scalar_flux_and_volumes(
     double total_active_distance_per_iteration) override;
 
   void batch_reset() override;
-  void convert_source_regions_to_tallies();
-  void reset_tally_volumes();
-  void random_ray_tally();
   void accumulate_iteration_flux() override;
   void output_to_vtk() const;
-  void all_reduce_replicated_source_regions() override;
-  void convert_external_sources();
-  void count_external_source_regions();
-  void flux_swap() override;
   double evaluate_flux_at_point(Position r, int64_t sr, int g) const override;
 
-  //----------------------------------------------------------------------------
-  // Public Data members
-
-  vector<MomentArray> source_gradients_;
-  vector<MomentArray> flux_moments_old_;
-  vector<MomentArray> flux_moments_new_;
-  vector<MomentArray> flux_moments_t_;
-  vector<Position> centroid_;
-  vector<Position> centroid_iteration_;
-  vector<Position> centroid_t_;
-  vector<MomentMatrix> mom_matrix_;
-  vector<MomentMatrix> mom_matrix_t_;
-
 protected:
   //----------------------------------------------------------------------------
   // Methods
-  void set_flux_to_flux_plus_source(
-    int64_t idx, double volume, int material, int g) override;
-  void set_flux_to_old_flux(int64_t idx) override;
+  void set_flux_to_flux_plus_source(int64_t sr, double volume, int g) override;
+  void set_flux_to_old_flux(int64_t sr, int g) override;
 
 }; // class LinearSourceDomain
 
diff --git a/include/openmc/random_ray/source_region.h b/include/openmc/random_ray/source_region.h
new file mode 100644
index 000000000..0dc617a64
--- /dev/null
+++ b/include/openmc/random_ray/source_region.h
@@ -0,0 +1,400 @@
+#ifndef OPENMC_RANDOM_RAY_SOURCE_REGION_H
+#define OPENMC_RANDOM_RAY_SOURCE_REGION_H
+
+#include "openmc/openmp_interface.h"
+#include "openmc/position.h"
+#include "openmc/random_ray/moment_matrix.h"
+#include "openmc/settings.h"
+
+namespace openmc {
+
+//----------------------------------------------------------------------------
+// Helper Functions
+
+// The hash_combine function is the standard hash combine function from boost
+// that is typically used for combining multiple hash values into a single hash
+// as is needed for larger objects being stored in a hash map. The function is
+// taken from:
+// https://www.boost.org/doc/libs/1_55_0/doc/html/hash/reference.html#boost.hash_combine
+// which carries the following license:
+//
+// Boost Software License - Version 1.0 - August 17th, 2003
+// Permission is hereby granted, free of charge, to any person or organization
+// obtaining a copy of the software and accompanying documentation covered by
+// this license (the "Software") to use, reproduce, display, distribute,
+// execute, and transmit the Software, and to prepare derivative works of the
+// Software, and to permit third-parties to whom the Software is furnished to
+// do so, all subject to the following:
+// The copyright notices in the Software and this entire statement, including
+// the above license grant, this restriction and the following disclaimer,
+// must be included in all copies of the Software, in whole or in part, and
+// all derivative works of the Software, unless such copies or derivative
+// works are solely in the form of machine-executable object code generated by
+// a source language processor.
+// THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
+// IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
+// FITNESS FOR A PARTICULAR PURPOSE, TITLE AND NON-INFRINGEMENT. IN NO EVENT
+// SHALL THE COPYRIGHT HOLDERS OR ANYONE DISTRIBUTING THE SOFTWARE BE LIABLE
+// FOR ANY DAMAGES OR OTHER LIABILITY, WHETHER IN CONTRACT, TORT OR OTHERWISE,
+// ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER
+// DEALINGS IN THE SOFTWARE.
+inline void hash_combine(size_t& seed, const size_t v)
+{
+  seed ^= (v + 0x9e3779b9 + (seed << 6) + (seed >> 2));
+}
+
+//----------------------------------------------------------------------------
+// Helper Structs
+
+// A mapping object that is used to map between a specific random ray
+// source region and an OpenMC native tally bin that it should score to
+// every iteration.
+struct TallyTask {
+  int tally_idx;
+  int filter_idx;
+  int score_idx;
+  int score_type;
+  TallyTask(int tally_idx, int filter_idx, int score_idx, int score_type)
+    : tally_idx(tally_idx), filter_idx(filter_idx), score_idx(score_idx),
+      score_type(score_type)
+  {}
+  TallyTask() = default;
+
+  // Comparison and Hash operators are defined to allow usage of the
+  // TallyTask struct as a key in an unordered_set
+  bool operator==(const TallyTask& other) const
+  {
+    return tally_idx == other.tally_idx && filter_idx == other.filter_idx &&
+           score_idx == other.score_idx && score_type == other.score_type;
+  }
+
+  struct HashFunctor {
+    size_t operator()(const TallyTask& task) const
+    {
+      size_t seed = 0;
+      hash_combine(seed, task.tally_idx);
+      hash_combine(seed, task.filter_idx);
+      hash_combine(seed, task.score_idx);
+      hash_combine(seed, task.score_type);
+      return seed;
+    }
+  };
+};
+
+class SourceRegion {
+public:
+  //----------------------------------------------------------------------------
+  // Constructors
+  SourceRegion(int negroups, bool is_linear);
+  SourceRegion() = default;
+
+  //----------------------------------------------------------------------------
+  // Public Data members
+
+  // Scalar fields
+  int material_ {0};
+  OpenMPMutex lock_;
+  double volume_ {0.0};
+  double volume_t_ {0.0};
+  double volume_naive_ {0.0};
+  int position_recorded_ {0};
+  int external_source_present_ {0};
+  Position position_ {0.0, 0.0, 0.0};
+  Position centroid_ {0.0, 0.0, 0.0};
+  Position centroid_iteration_ {0.0, 0.0, 0.0};
+  Position centroid_t_ {0.0, 0.0, 0.0};
+  MomentMatrix mom_matrix_ {0.0, 0.0, 0.0, 0.0, 0.0, 0.0};
+  MomentMatrix mom_matrix_t_ {0.0, 0.0, 0.0, 0.0, 0.0, 0.0};
+  // A set of volume tally tasks. This more complicated data structure is
+  // convenient for ensuring that volumes are only tallied once per source
+  // region, regardless of how many energy groups are used for tallying.
+  std::unordered_set<TallyTask, TallyTask::HashFunctor> volume_task_;
+
+  // Energy group-wise 1D arrays
+  vector<double> scalar_flux_old_;
+  vector<double> scalar_flux_new_;
+  vector<float> source_;
+  vector<float> external_source_;
+  vector<double> scalar_flux_final_;
+
+  vector<MomentArray> source_gradients_;
+  vector<MomentArray> flux_moments_old_;
+  vector<MomentArray> flux_moments_new_;
+  vector<MomentArray> flux_moments_t_;
+
+  // 2D array representing values for all energy groups x tally
+  // tasks. Each group may have a different number of tally tasks
+  // associated with it, necessitating the use of a jagged array.
+  vector<vector<TallyTask>> tally_task_;
+
+}; // class SourceRegion
+
+class SourceRegionContainer {
+public:
+  //----------------------------------------------------------------------------
+  // Constructors
+  SourceRegionContainer(int negroups, bool is_linear)
+    : negroups_(negroups), is_linear_(is_linear)
+  {}
+  SourceRegionContainer() = default;
+
+  //----------------------------------------------------------------------------
+  // Public Accessors
+  int& material(int64_t sr) { return material_[sr]; }
+  const int& material(int64_t sr) const { return material_[sr]; }
+
+  OpenMPMutex& lock(int64_t sr) { return lock_[sr]; }
+  const OpenMPMutex& lock(int64_t sr) const { return lock_[sr]; }
+
+  double& volume(int64_t sr) { return volume_[sr]; }
+  const double& volume(int64_t sr) const { return volume_[sr]; }
+
+  double& volume_t(int64_t sr) { return volume_t_[sr]; }
+  const double& volume_t(int64_t sr) const { return volume_t_[sr]; }
+
+  double& volume_naive(int64_t sr) { return volume_naive_[sr]; }
+  const double& volume_naive(int64_t sr) const { return volume_naive_[sr]; }
+
+  int& position_recorded(int64_t sr) { return position_recorded_[sr]; }
+  const int& position_recorded(int64_t sr) const
+  {
+    return position_recorded_[sr];
+  }
+
+  int& external_source_present(int64_t sr)
+  {
+    return external_source_present_[sr];
+  }
+  const int& external_source_present(int64_t sr) const
+  {
+    return external_source_present_[sr];
+  }
+
+  Position& position(int64_t sr) { return position_[sr]; }
+  const Position& position(int64_t sr) const { return position_[sr]; }
+
+  Position& centroid(int64_t sr) { return centroid_[sr]; }
+  const Position& centroid(int64_t sr) const { return centroid_[sr]; }
+
+  Position& centroid_iteration(int64_t sr) { return centroid_iteration_[sr]; }
+  const Position& centroid_iteration(int64_t sr) const
+  {
+    return centroid_iteration_[sr];
+  }
+
+  Position& centroid_t(int64_t sr) { return centroid_t_[sr]; }
+  const Position& centroid_t(int64_t sr) const { return centroid_t_[sr]; }
+
+  MomentMatrix& mom_matrix(int64_t sr) { return mom_matrix_[sr]; }
+  const MomentMatrix& mom_matrix(int64_t sr) const { return mom_matrix_[sr]; }
+
+  MomentMatrix& mom_matrix_t(int64_t sr) { return mom_matrix_t_[sr]; }
+  const MomentMatrix& mom_matrix_t(int64_t sr) const
+  {
+    return mom_matrix_t_[sr];
+  }
+
+  MomentArray& source_gradients(int64_t sr, int g)
+  {
+    return source_gradients_[index(sr, g)];
+  }
+  const MomentArray& source_gradients(int64_t sr, int g) const
+  {
+    return source_gradients_[index(sr, g)];
+  }
+  MomentArray& source_gradients(int64_t se) { return source_gradients_[se]; }
+  const MomentArray& source_gradients(int64_t se) const
+  {
+    return source_gradients_[se];
+  }
+
+  MomentArray& flux_moments_old(int64_t sr, int g)
+  {
+    return flux_moments_old_[index(sr, g)];
+  }
+  const MomentArray& flux_moments_old(int64_t sr, int g) const
+  {
+    return flux_moments_old_[index(sr, g)];
+  }
+  MomentArray& flux_moments_old(int64_t se) { return flux_moments_old_[se]; }
+  const MomentArray& flux_moments_old(int64_t se) const
+  {
+    return flux_moments_old_[se];
+  }
+
+  MomentArray& flux_moments_new(int64_t sr, int g)
+  {
+    return flux_moments_new_[index(sr, g)];
+  }
+  const MomentArray& flux_moments_new(int64_t sr, int g) const
+  {
+    return flux_moments_new_[index(sr, g)];
+  }
+  MomentArray& flux_moments_new(int64_t se) { return flux_moments_new_[se]; }
+  const MomentArray& flux_moments_new(int64_t se) const
+  {
+    return flux_moments_new_[se];
+  }
+
+  MomentArray& flux_moments_t(int64_t sr, int g)
+  {
+    return flux_moments_t_[index(sr, g)];
+  }
+  const MomentArray& flux_moments_t(int64_t sr, int g) const
+  {
+    return flux_moments_t_[index(sr, g)];
+  }
+  MomentArray& flux_moments_t(int64_t se) { return flux_moments_t_[se]; }
+  const MomentArray& flux_moments_t(int64_t se) const
+  {
+    return flux_moments_t_[se];
+  }
+
+  double& scalar_flux_old(int64_t sr, int g)
+  {
+    return scalar_flux_old_[index(sr, g)];
+  }
+  const double& scalar_flux_old(int64_t sr, int g) const
+  {
+    return scalar_flux_old_[index(sr, g)];
+  }
+  double& scalar_flux_old(int64_t se) { return scalar_flux_old_[se]; }
+  const double& scalar_flux_old(int64_t se) const
+  {
+    return scalar_flux_old_[se];
+  }
+
+  double& scalar_flux_new(int64_t sr, int g)
+  {
+    return scalar_flux_new_[index(sr, g)];
+  }
+  const double& scalar_flux_new(int64_t sr, int g) const
+  {
+    return scalar_flux_new_[index(sr, g)];
+  }
+  double& scalar_flux_new(int64_t se) { return scalar_flux_new_[se]; }
+  const double& scalar_flux_new(int64_t se) const
+  {
+    return scalar_flux_new_[se];
+  }
+
+  double& scalar_flux_final(int64_t sr, int g)
+  {
+    return scalar_flux_final_[index(sr, g)];
+  }
+  const double& scalar_flux_final(int64_t sr, int g) const
+  {
+    return scalar_flux_final_[index(sr, g)];
+  }
+  double& scalar_flux_final(int64_t se) { return scalar_flux_final_[se]; }
+  const double& scalar_flux_final(int64_t se) const
+  {
+    return scalar_flux_final_[se];
+  }
+
+  float& source(int64_t sr, int g) { return source_[index(sr, g)]; }
+  const float& source(int64_t sr, int g) const { return source_[index(sr, g)]; }
+  float& source(int64_t se) { return source_[se]; }
+  const float& source(int64_t se) const { return source_[se]; }
+
+  float& external_source(int64_t sr, int g)
+  {
+    return external_source_[index(sr, g)];
+  }
+  const float& external_source(int64_t sr, int g) const
+  {
+    return external_source_[index(sr, g)];
+  }
+  float& external_source(int64_t se) { return external_source_[se]; }
+  const float& external_source(int64_t se) const
+  {
+    return external_source_[se];
+  }
+
+  vector<TallyTask>& tally_task(int64_t sr, int g)
+  {
+    return tally_task_[index(sr, g)];
+  }
+  const vector<TallyTask>& tally_task(int64_t sr, int g) const
+  {
+    return tally_task_[index(sr, g)];
+  }
+  vector<TallyTask>& tally_task(int64_t se) { return tally_task_[se]; }
+  const vector<TallyTask>& tally_task(int64_t se) const
+  {
+    return tally_task_[se];
+  }
+
+  std::unordered_set<TallyTask, TallyTask::HashFunctor>& volume_task(int64_t sr)
+  {
+    return volume_task_[sr];
+  }
+  const std::unordered_set<TallyTask, TallyTask::HashFunctor>& volume_task(
+    int64_t sr) const
+  {
+    return volume_task_[sr];
+  }
+
+  //----------------------------------------------------------------------------
+  // Public Methods
+
+  void push_back(const SourceRegion& sr);
+  void assign(int n_source_regions, const SourceRegion& source_region);
+  void flux_swap();
+  void mpi_sync_ranks(bool reduce_position);
+
+private:
+  //----------------------------------------------------------------------------
+  // Private Data Members
+  int64_t n_source_regions_ {0};
+  int negroups_ {0};
+  bool is_linear_ {false};
+
+  // SoA storage for scalar fields (one item per source region)
+  vector<int> material_;
+  vector<OpenMPMutex> lock_;
+  vector<double> volume_;
+  vector<double> volume_t_;
+  vector<double> volume_naive_;
+  vector<int> position_recorded_;
+  vector<int> external_source_present_;
+  vector<Position> position_;
+  vector<Position> centroid_;
+  vector<Position> centroid_iteration_;
+  vector<Position> centroid_t_;
+  vector<MomentMatrix> mom_matrix_;
+  vector<MomentMatrix> mom_matrix_t_;
+  // A set of volume tally tasks. This more complicated data structure is
+  // convenient for ensuring that volumes are only tallied once per source
+  // region, regardless of how many energy groups are used for tallying.
+  vector<std::unordered_set<TallyTask, TallyTask::HashFunctor>> volume_task_;
+
+  // SoA energy group-wise 2D arrays flattened to 1D
+  vector<double> scalar_flux_old_;
+  vector<double> scalar_flux_new_;
+  vector<double> scalar_flux_final_;
+  vector<float> source_;
+  vector<float> external_source_;
+
+  vector<MomentArray> source_gradients_;
+  vector<MomentArray> flux_moments_old_;
+  vector<MomentArray> flux_moments_new_;
+  vector<MomentArray> flux_moments_t_;
+
+  // SoA 3D array representing values for all source regions x energy groups x
+  // tally tasks. The outer two dimensions (source regions and energy groups)
+  // are flattened to 1D. Each group may have a different number of tally tasks
+  // associated with it, necessitating the use of a jagged array for the inner
+  // dimension.
+  vector<vector<TallyTask>> tally_task_;
+
+  //----------------------------------------------------------------------------
+  // Private Methods
+
+  // Helper function for indexing
+  inline int index(int64_t sr, int g) const { return sr * negroups_ + g; }
+};
+
+} // namespace openmc
+
+#endif // OPENMC_RANDOM_RAY_SOURCE_REGION_H
\ No newline at end of file
diff --git a/src/random_ray/flat_source_domain.cpp b/src/random_ray/flat_source_domain.cpp
index 19913c03c..39a50ace6 100644
--- a/src/random_ray/flat_source_domain.cpp
+++ b/src/random_ray/flat_source_domain.cpp
@@ -46,40 +46,17 @@ FlatSourceDomain::FlatSourceDomain() : negroups_(data::mg.num_energy_groups_)
   }
 
   // Initialize cell-wise arrays
-  lock_.resize(n_source_regions_);
-  material_.resize(n_source_regions_);
-  position_recorded_.assign(n_source_regions_, 0);
-  position_.resize(n_source_regions_);
-  volume_.assign(n_source_regions_, 0.0);
-  volume_t_.assign(n_source_regions_, 0.0);
-  volume_naive_.assign(n_source_regions_, 0.0);
+  bool is_linear = RandomRay::source_shape_ != RandomRaySourceShape::FLAT;
+  source_regions_ = SourceRegionContainer(negroups_, is_linear);
+  source_regions_.assign(n_source_regions_, SourceRegion(negroups_, is_linear));
 
-  // Initialize element-wise arrays
-  scalar_flux_new_.assign(n_source_elements_, 0.0);
-  scalar_flux_final_.assign(n_source_elements_, 0.0);
-  source_.resize(n_source_elements_);
-
-  tally_task_.resize(n_source_elements_);
-  volume_task_.resize(n_source_regions_);
-
-  if (settings::run_mode == RunMode::EIGENVALUE) {
-    // If in eigenvalue mode, set starting flux to guess of unity
-    scalar_flux_old_.assign(n_source_elements_, 1.0);
-  } else {
-    // If in fixed source mode, set starting flux to guess of zero
-    // and initialize external source arrays
-    scalar_flux_old_.assign(n_source_elements_, 0.0);
-    external_source_.assign(n_source_elements_, 0.0);
-    external_source_present_.assign(n_source_regions_, false);
-  }
-
-  // Initialize material array
+  // Initialize materials
   int64_t source_region_id = 0;
   for (int i = 0; i < model::cells.size(); i++) {
     Cell& cell = *model::cells[i];
     if (cell.type_ == Fill::MATERIAL) {
       for (int j = 0; j < cell.n_instances_; j++) {
-        material_[source_region_id++] = cell.material(j);
+        source_regions_.material(source_region_id++) = cell.material(j);
       }
     }
   }
@@ -113,17 +90,23 @@ FlatSourceDomain::FlatSourceDomain() : negroups_(data::mg.num_energy_groups_)
 
 void FlatSourceDomain::batch_reset()
 {
-  // Reset scalar fluxes, iteration volume tallies, and region hit flags to
-  // zero
-  parallel_fill<double>(scalar_flux_new_, 0.0);
-  parallel_fill<double>(volume_, 0.0);
+// Reset scalar fluxes and iteration volume tallies to zero
+#pragma omp parallel for
+  for (int64_t sr = 0; sr < n_source_regions_; sr++) {
+    source_regions_.volume(sr) = 0.0;
+  }
+#pragma omp parallel for
+  for (int64_t se = 0; se < n_source_elements_; se++) {
+    source_regions_.scalar_flux_new(se) = 0.0;
+  }
 }
 
 void FlatSourceDomain::accumulate_iteration_flux()
 {
 #pragma omp parallel for
   for (int64_t se = 0; se < n_source_elements_; se++) {
-    scalar_flux_final_[se] += scalar_flux_new_[se];
+    source_regions_.scalar_flux_final(se) +=
+      source_regions_.scalar_flux_new(se);
   }
 }
 
@@ -137,40 +120,40 @@ void FlatSourceDomain::update_neutron_source(double k_eff)
 
   // Add scattering source
 #pragma omp parallel for
-  for (int sr = 0; sr < n_source_regions_; sr++) {
-    int material = material_[sr];
+  for (int64_t sr = 0; sr < n_source_regions_; sr++) {
+    int material = source_regions_.material(sr);
 
     for (int g_out = 0; g_out < negroups_; g_out++) {
       double sigma_t = sigma_t_[material * negroups_ + g_out];
       double scatter_source = 0.0;
 
       for (int g_in = 0; g_in < negroups_; g_in++) {
-        double scalar_flux = scalar_flux_old_[sr * negroups_ + g_in];
+        double scalar_flux = source_regions_.scalar_flux_old(sr, g_in);
         double sigma_s =
           sigma_s_[material * negroups_ * negroups_ + g_out * negroups_ + g_in];
         scatter_source += sigma_s * scalar_flux;
       }
 
-      source_[sr * negroups_ + g_out] = scatter_source / sigma_t;
+      source_regions_.source(sr, g_out) = scatter_source / sigma_t;
     }
   }
 
   // Add fission source
 #pragma omp parallel for
-  for (int sr = 0; sr < n_source_regions_; sr++) {
-    int material = material_[sr];
+  for (int64_t sr = 0; sr < n_source_regions_; sr++) {
+    int material = source_regions_.material(sr);
 
     for (int g_out = 0; g_out < negroups_; g_out++) {
       double sigma_t = sigma_t_[material * negroups_ + g_out];
       double fission_source = 0.0;
 
       for (int g_in = 0; g_in < negroups_; g_in++) {
-        double scalar_flux = scalar_flux_old_[sr * negroups_ + g_in];
+        double scalar_flux = source_regions_.scalar_flux_old(sr, g_in);
         double nu_sigma_f = nu_sigma_f_[material * negroups_ + g_in];
         double chi = chi_[material * negroups_ + g_out];
         fission_source += nu_sigma_f * scalar_flux * chi;
       }
-      source_[sr * negroups_ + g_out] +=
+      source_regions_.source(sr, g_out) +=
         fission_source * inverse_k_eff / sigma_t;
     }
   }
@@ -179,7 +162,7 @@ void FlatSourceDomain::update_neutron_source(double k_eff)
   if (settings::run_mode == RunMode::FIXED_SOURCE) {
 #pragma omp parallel for
     for (int64_t se = 0; se < n_source_elements_; se++) {
-      source_[se] += external_source_[se];
+      source_regions_.source(se) += source_regions_.external_source(se);
     }
   }
 
@@ -194,38 +177,42 @@ void FlatSourceDomain::normalize_scalar_flux_and_volumes(
   double volume_normalization_factor =
     1.0 / (total_active_distance_per_iteration * simulation::current_batch);
 
-// Normalize scalar flux to total distance travelled by all rays this iteration
+// Normalize scalar flux to total distance travelled by all rays this
+// iteration
 #pragma omp parallel for
-  for (int64_t se = 0; se < scalar_flux_new_.size(); se++) {
-    scalar_flux_new_[se] *= normalization_factor;
+  for (int64_t se = 0; se < n_source_elements_; se++) {
+    source_regions_.scalar_flux_new(se) *= normalization_factor;
   }
 
 // Accumulate cell-wise ray length tallies collected this iteration, then
 // update the simulation-averaged cell-wise volume estimates
 #pragma omp parallel for
   for (int64_t sr = 0; sr < n_source_regions_; sr++) {
-    volume_t_[sr] += volume_[sr];
-    volume_naive_[sr] = volume_[sr] * normalization_factor;
-    volume_[sr] = volume_t_[sr] * volume_normalization_factor;
+    source_regions_.volume_t(sr) += source_regions_.volume(sr);
+    source_regions_.volume_naive(sr) =
+      source_regions_.volume(sr) * normalization_factor;
+    source_regions_.volume(sr) =
+      source_regions_.volume_t(sr) * volume_normalization_factor;
   }
 }
 
 void FlatSourceDomain::set_flux_to_flux_plus_source(
-  int64_t idx, double volume, int material, int g)
+  int64_t sr, double volume, int g)
 {
-  double sigma_t = sigma_t_[material * negroups_ + g];
-  scalar_flux_new_[idx] /= (sigma_t * volume);
-  scalar_flux_new_[idx] += source_[idx];
+  double sigma_t = sigma_t_[source_regions_.material(sr) * negroups_ + g];
+  source_regions_.scalar_flux_new(sr, g) /= (sigma_t * volume);
+  source_regions_.scalar_flux_new(sr, g) += source_regions_.source(sr, g);
 }
 
-void FlatSourceDomain::set_flux_to_old_flux(int64_t idx)
+void FlatSourceDomain::set_flux_to_old_flux(int64_t sr, int g)
 {
-  scalar_flux_new_[idx] = scalar_flux_old_[idx];
+  source_regions_.scalar_flux_new(sr, g) =
+    source_regions_.scalar_flux_old(sr, g);
 }
 
-void FlatSourceDomain::set_flux_to_source(int64_t idx)
+void FlatSourceDomain::set_flux_to_source(int64_t sr, int g)
 {
-  scalar_flux_new_[idx] = source_[idx];
+  source_regions_.scalar_flux_new(sr, g) = source_regions_.source(sr, g);
 }
 
 // Combine transport flux contributions and flat source contributions from the
@@ -235,20 +222,16 @@ int64_t FlatSourceDomain::add_source_to_scalar_flux()
   int64_t n_hits = 0;
 
 #pragma omp parallel for reduction(+ : n_hits)
-  for (int sr = 0; sr < n_source_regions_; sr++) {
+  for (int64_t sr = 0; sr < n_source_regions_; sr++) {
 
-    double volume_simulation_avg = volume_[sr];
-    double volume_iteration = volume_naive_[sr];
+    double volume_simulation_avg = source_regions_.volume(sr);
+    double volume_iteration = source_regions_.volume_naive(sr);
 
     // Increment the number of hits if cell was hit this iteration
     if (volume_iteration) {
       n_hits++;
     }
 
-    // Check if an external source is present in this source region
-    bool external_source_present =
-      external_source_present_.size() && external_source_present_[sr];
-
     // The volume treatment depends on the volume estimator type
     // and whether or not an external source is present in the cell.
     double volume;
@@ -260,7 +243,7 @@ int64_t FlatSourceDomain::add_source_to_scalar_flux()
       volume = volume_simulation_avg;
       break;
     case RandomRayVolumeEstimator::HYBRID:
-      if (external_source_present) {
+      if (source_regions_.external_source_present(sr)) {
         volume = volume_iteration;
       } else {
         volume = volume_simulation_avg;
@@ -270,17 +253,14 @@ int64_t FlatSourceDomain::add_source_to_scalar_flux()
       fatal_error("Invalid volume estimator type");
     }
 
-    int material = material_[sr];
     for (int g = 0; g < negroups_; g++) {
-      int64_t idx = (sr * negroups_) + g;
-
       // There are three scenarios we need to consider:
       if (volume_iteration > 0.0) {
         // 1. If the FSR was hit this iteration, then the new flux is equal to
         // the flat source from the previous iteration plus the contributions
         // from rays passing through the source region (computed during the
         // transport sweep)
-        set_flux_to_flux_plus_source(idx, volume, material, g);
+        set_flux_to_flux_plus_source(sr, volume, g);
       } else if (volume_simulation_avg > 0.0) {
         // 2. If the FSR was not hit this iteration, but has been hit some
         // previous iteration, then we need to make a choice about what
@@ -294,10 +274,10 @@ int64_t FlatSourceDomain::add_source_to_scalar_flux()
         // in the cell we will use the previous iteration's flux estimate. This
         // injects a small degree of correlation into the simulation, but this
         // is going to be trivial when the miss rate is a few percent or less.
-        if (external_source_present) {
-          set_flux_to_old_flux(idx);
+        if (source_regions_.external_source_present(sr)) {
+          set_flux_to_old_flux(sr, g);
         } else {
-          set_flux_to_source(idx);
+          set_flux_to_source(sr, g);
         }
       }
       // If the FSR was not hit this iteration, and it has never been hit in
@@ -322,24 +302,25 @@ double FlatSourceDomain::compute_k_eff(double k_eff_old) const
   vector<float> p(n_source_regions_, 0.0f);
 
 #pragma omp parallel for reduction(+ : fission_rate_old, fission_rate_new)
-  for (int sr = 0; sr < n_source_regions_; sr++) {
+  for (int64_t sr = 0; sr < n_source_regions_; sr++) {
 
     // If simulation averaged volume is zero, don't include this cell
-    double volume = volume_[sr];
+    double volume = source_regions_.volume(sr);
     if (volume == 0.0) {
       continue;
     }
 
-    int material = material_[sr];
+    int material = source_regions_.material(sr);
 
     double sr_fission_source_old = 0;
     double sr_fission_source_new = 0;
 
     for (int g = 0; g < negroups_; g++) {
-      int64_t idx = (sr * negroups_) + g;
       double nu_sigma_f = nu_sigma_f_[material * negroups_ + g];
-      sr_fission_source_old += nu_sigma_f * scalar_flux_old_[idx];
-      sr_fission_source_new += nu_sigma_f * scalar_flux_new_[idx];
+      sr_fission_source_old +=
+        nu_sigma_f * source_regions_.scalar_flux_old(sr, g);
+      sr_fission_source_new +=
+        nu_sigma_f * source_regions_.scalar_flux_new(sr, g);
     }
 
     // Compute total fission rates in FSR
@@ -361,7 +342,7 @@ double FlatSourceDomain::compute_k_eff(double k_eff_old) const
   double inverse_sum = 1 / fission_rate_new;
 
 #pragma omp parallel for reduction(+ : H)
-  for (int sr = 0; sr < n_source_regions_; sr++) {
+  for (int64_t sr = 0; sr < n_source_regions_; sr++) {
     // Only if FSR has non-negative and non-zero fission source
     if (p[sr] > 0.0f) {
       // Normalize to total weight of bank sites. p_i for better performance
@@ -419,11 +400,11 @@ void FlatSourceDomain::convert_source_regions_to_tallies()
 
 // Attempt to generate mapping for all source regions
 #pragma omp parallel for
-  for (int sr = 0; sr < n_source_regions_; sr++) {
+  for (int64_t sr = 0; sr < n_source_regions_; sr++) {
 
     // If this source region has not been hit by a ray yet, then
     // we aren't going to be able to map it, so skip it.
-    if (!position_recorded_[sr]) {
+    if (!source_regions_.position_recorded(sr)) {
       all_source_regions_mapped = false;
       continue;
     }
@@ -432,8 +413,8 @@ void FlatSourceDomain::convert_source_regions_to_tallies()
     // crossing through this source region is used to estabilish
     // the spatial location of the source region
     Particle p;
-    p.r() = position_[sr];
-    p.r_last() = position_[sr];
+    p.r() = source_regions_.position(sr);
+    p.r_last() = source_regions_.position(sr);
     bool found = exhaustive_find_cell(p);
 
     // Loop over energy groups (so as to support energy filters)
@@ -449,7 +430,7 @@ void FlatSourceDomain::convert_source_regions_to_tallies()
 
       // If this task has already been populated, we don't need to do
       // it again.
-      if (tally_task_[source_element].size() > 0) {
+      if (source_regions_.tally_task(sr, g).size() > 0) {
         continue;
       }
 
@@ -479,11 +460,11 @@ void FlatSourceDomain::convert_source_regions_to_tallies()
             // If a valid tally, filter, and score combination has been found,
             // then add it to the list of tally tasks for this source element.
             TallyTask task(i_tally, filter_index, score_index, score_bin);
-            tally_task_[source_element].push_back(task);
+            source_regions_.tally_task(sr, g).push_back(task);
 
             // Also add this task to the list of volume tasks for this source
             // region.
-            volume_task_[sr].insert(task);
+            source_regions_.volume_task(sr).insert(task);
           }
         }
       }
@@ -529,13 +510,13 @@ double FlatSourceDomain::compute_fixed_source_normalization_factor() const
   // total external source strength in the simulation.
   double simulation_external_source_strength = 0.0;
 #pragma omp parallel for reduction(+ : simulation_external_source_strength)
-  for (int sr = 0; sr < n_source_regions_; sr++) {
-    int material = material_[sr];
-    double volume = volume_[sr] * simulation_volume_;
+  for (int64_t sr = 0; sr < n_source_regions_; sr++) {
+    int material = source_regions_.material(sr);
+    double volume = source_regions_.volume(sr) * simulation_volume_;
     for (int g = 0; g < negroups_; g++) {
       double sigma_t = sigma_t_[material * negroups_ + g];
       simulation_external_source_strength +=
-        external_source_[sr * negroups_ + g] * sigma_t * volume;
+        source_regions_.external_source(sr, g) * sigma_t * volume;
     }
   }
 
@@ -576,7 +557,7 @@ void FlatSourceDomain::random_ray_tally()
 // element, we check if there are any scores needed and apply
 // them.
 #pragma omp parallel for
-  for (int sr = 0; sr < n_source_regions_; sr++) {
+  for (int64_t sr = 0; sr < n_source_regions_; sr++) {
     // The fsr.volume_ is the unitless fractional simulation averaged volume
     // (i.e., it is the FSR's fraction of the overall simulation volume). The
     // simulation_volume_ is the total 3D physical volume in cm^3 of the
@@ -586,15 +567,15 @@ void FlatSourceDomain::random_ray_tally()
     // eigenvalue solves, but useful in fixed source solves for returning the
     // flux shape with a magnitude that makes sense relative to the fixed
     // source strength.
-    double volume = volume_[sr] * simulation_volume_;
+    double volume = source_regions_.volume(sr) * simulation_volume_;
 
-    double material = material_[sr];
+    double material = source_regions_.material(sr);
     for (int g = 0; g < negroups_; g++) {
-      int idx = sr * negroups_ + g;
-      double flux = scalar_flux_new_[idx] * source_normalization_factor;
+      double flux =
+        source_regions_.scalar_flux_new(sr, g) * source_normalization_factor;
 
       // Determine numerical score value
-      for (auto& task : tally_task_[idx]) {
+      for (auto& task : source_regions_.tally_task(sr, g)) {
         double score;
         switch (task.score_type) {
 
@@ -637,7 +618,7 @@ void FlatSourceDomain::random_ray_tally()
     // for normalizing the flux. We store this volume in a separate tensor.
     // We only contribute to each volume tally bin once per FSR.
     if (volume_normalized_flux_tallies_) {
-      for (const auto& task : volume_task_[sr]) {
+      for (const auto& task : source_regions_.volume_task(sr)) {
         if (task.score_type == SCORE_FLUX) {
 #pragma omp atomic
           tally_volumes_[task.tally_idx](task.filter_idx, task.score_idx) +=
@@ -676,7 +657,6 @@ void FlatSourceDomain::random_ray_tally()
 void FlatSourceDomain::all_reduce_replicated_source_regions()
 {
 #ifdef OPENMC_MPI
-
   // If we only have 1 MPI rank, no need
   // to reduce anything.
   if (mpi::n_procs <= 1)
@@ -684,80 +664,15 @@ void FlatSourceDomain::all_reduce_replicated_source_regions()
 
   simulation::time_bank_sendrecv.start();
 
-  // The "position_recorded" variable needs to be allreduced (and maxed),
-  // as whether or not a cell was hit will affect some decisions in how the
-  // source is calculated in the next iteration so as to avoid dividing
-  // by zero. We take the max rather than the sum as the hit values are
-  // expected to be zero or 1.
-  MPI_Allreduce(MPI_IN_PLACE, position_recorded_.data(), n_source_regions_,
-    MPI_INT, MPI_MAX, mpi::intracomm);
-
-  // The position variable is more complicated to reduce than the others,
-  // as we do not want the sum of all positions in each cell, rather, we
-  // want to just pick any single valid position. Thus, we perform a gather
-  // and then pick the first valid position we find for all source regions
-  // that have had a position recorded. This operation does not need to
-  // be broadcast back to other ranks, as this value is only used for the
-  // tally conversion operation, which is only performed on the master rank.
-  // While this is expensive, it only needs to be done for active batches,
-  // and only if we have not mapped all the tallies yet. Once tallies are
-  // fully mapped, then the position vector is fully populated, so this
-  // operation can be skipped.
-
   // First, we broadcast the fully mapped tally status variable so that
   // all ranks are on the same page
   int mapped_all_tallies_i = static_cast<int>(mapped_all_tallies_);
   MPI_Bcast(&mapped_all_tallies_i, 1, MPI_INT, 0, mpi::intracomm);
 
-  // Then, we perform the gather of position data, if needed
-  if (simulation::current_batch > settings::n_inactive &&
-      !mapped_all_tallies_i) {
+  bool reduce_position =
+    simulation::current_batch > settings::n_inactive && !mapped_all_tallies_i;
 
-    // Master rank will gather results and pick valid positions
-    if (mpi::master) {
-      // Initialize temporary vector for receiving positions
-      vector<vector<Position>> all_position;
-      all_position.resize(mpi::n_procs);
-      for (int i = 0; i < mpi::n_procs; i++) {
-        all_position[i].resize(n_source_regions_);
-      }
-
-      // Copy master rank data into gathered vector for convenience
-      all_position[0] = position_;
-
-      // Receive all data into gather vector
-      for (int i = 1; i < mpi::n_procs; i++) {
-        MPI_Recv(all_position[i].data(), n_source_regions_ * 3, MPI_DOUBLE, i,
-          0, mpi::intracomm, MPI_STATUS_IGNORE);
-      }
-
-      // Scan through gathered data and pick first valid cell posiiton
-      for (int sr = 0; sr < n_source_regions_; sr++) {
-        if (position_recorded_[sr] == 1) {
-          for (int i = 0; i < mpi::n_procs; i++) {
-            if (all_position[i][sr].x != 0.0 || all_position[i][sr].y != 0.0 ||
-                all_position[i][sr].z != 0.0) {
-              position_[sr] = all_position[i][sr];
-              break;
-            }
-          }
-        }
-      }
-    } else {
-      // Other ranks just send in their data
-      MPI_Send(position_.data(), n_source_regions_ * 3, MPI_DOUBLE, 0, 0,
-        mpi::intracomm);
-    }
-  }
-
-  // For the rest of the source region data, we simply perform an all reduce,
-  // as these values will be needed on all ranks for transport during the
-  // next iteration.
-  MPI_Allreduce(MPI_IN_PLACE, volume_.data(), n_source_regions_, MPI_DOUBLE,
-    MPI_SUM, mpi::intracomm);
-
-  MPI_Allreduce(MPI_IN_PLACE, scalar_flux_new_.data(), n_source_elements_,
-    MPI_DOUBLE, MPI_SUM, mpi::intracomm);
+  source_regions_.mpi_sync_ranks(reduce_position);
 
   simulation::time_bank_sendrecv.stop();
 #endif
@@ -766,7 +681,7 @@ void FlatSourceDomain::all_reduce_replicated_source_regions()
 double FlatSourceDomain::evaluate_flux_at_point(
   Position r, int64_t sr, int g) const
 {
-  return scalar_flux_final_[sr * negroups_ + g] /
+  return source_regions_.scalar_flux_final(sr, g) /
          (settings::n_batches - settings::n_inactive);
 }
 
@@ -894,7 +809,7 @@ void FlatSourceDomain::output_to_vtk() const
     std::fprintf(plot, "SCALARS Materials int\n");
     std::fprintf(plot, "LOOKUP_TABLE default\n");
     for (int fsr : voxel_indices) {
-      int mat = material_[fsr];
+      int mat = source_regions_.material(fsr);
       mat = convert_to_big_endian<int>(mat);
       std::fwrite(&mat, sizeof(int), 1, plot);
     }
@@ -906,7 +821,7 @@ void FlatSourceDomain::output_to_vtk() const
       int64_t fsr = voxel_indices[i];
 
       float total_fission = 0.0;
-      int mat = material_[fsr];
+      int mat = source_regions_.material(fsr);
       for (int g = 0; g < negroups_; g++) {
         int64_t source_element = fsr * negroups_ + g;
         float flux = evaluate_flux_at_point(voxel_positions[i], fsr, g);
@@ -922,16 +837,16 @@ void FlatSourceDomain::output_to_vtk() const
 }
 
 void FlatSourceDomain::apply_external_source_to_source_region(
-  Discrete* discrete, double strength_factor, int64_t source_region)
+  Discrete* discrete, double strength_factor, int64_t sr)
 {
-  external_source_present_[source_region] = true;
+  source_regions_.external_source_present(sr) = 1;
 
   const auto& discrete_energies = discrete->x();
   const auto& discrete_probs = discrete->prob();
 
   for (int i = 0; i < discrete_energies.size(); i++) {
     int g = data::mg.get_group_index(discrete_energies[i]);
-    external_source_[source_region * negroups_ + g] +=
+    source_regions_.external_source(sr, g) +=
       discrete_probs[i] * strength_factor;
   }
 }
@@ -983,8 +898,8 @@ void FlatSourceDomain::count_external_source_regions()
 {
   n_external_source_regions_ = 0;
 #pragma omp parallel for reduction(+ : n_external_source_regions_)
-  for (int sr = 0; sr < n_source_regions_; sr++) {
-    if (external_source_present_[sr]) {
+  for (int64_t sr = 0; sr < n_source_regions_; sr++) {
+    if (source_regions_.external_source_present(sr)) {
       n_external_source_regions_++;
     }
   }
@@ -1029,18 +944,17 @@ void FlatSourceDomain::convert_external_sources()
 // Divide the fixed source term by sigma t (to save time when applying each
 // iteration)
 #pragma omp parallel for
-  for (int sr = 0; sr < n_source_regions_; sr++) {
-    int material = material_[sr];
+  for (int64_t sr = 0; sr < n_source_regions_; sr++) {
     for (int g = 0; g < negroups_; g++) {
-      double sigma_t = sigma_t_[material * negroups_ + g];
-      external_source_[sr * negroups_ + g] /= sigma_t;
+      double sigma_t = sigma_t_[source_regions_.material(sr) * negroups_ + g];
+      source_regions_.external_source(sr, g) /= sigma_t;
     }
   }
 }
 
 void FlatSourceDomain::flux_swap()
 {
-  scalar_flux_old_.swap(scalar_flux_new_);
+  source_regions_.flux_swap();
 }
 
 void FlatSourceDomain::flatten_xs()
@@ -1096,17 +1010,16 @@ void FlatSourceDomain::set_adjoint_sources(const vector<double>& forward_flux)
   // so we must convert it to a "per batch" quantity
 #pragma omp parallel for
   for (int64_t se = 0; se < n_source_elements_; se++) {
-    external_source_[se] = 1.0 / forward_flux[se];
+    source_regions_.external_source(se) = 1.0 / forward_flux[se];
   }
 
   // Divide the fixed source term by sigma t (to save time when applying each
   // iteration)
 #pragma omp parallel for
-  for (int sr = 0; sr < n_source_regions_; sr++) {
-    int material = material_[sr];
+  for (int64_t sr = 0; sr < n_source_regions_; sr++) {
     for (int g = 0; g < negroups_; g++) {
-      double sigma_t = sigma_t_[material * negroups_ + g];
-      external_source_[sr * negroups_ + g] /= sigma_t;
+      double sigma_t = sigma_t_[source_regions_.material(sr) * negroups_ + g];
+      source_regions_.external_source(sr, g) /= sigma_t;
     }
   }
 }
@@ -1129,4 +1042,15 @@ void FlatSourceDomain::transpose_scattering_matrix()
   }
 }
 
+void FlatSourceDomain::serialize_final_fluxes(vector<double>& flux)
+{
+  // Ensure array is correct size
+  flux.resize(n_source_regions_ * negroups_);
+// Serialize the final fluxes for output
+#pragma omp parallel for
+  for (int64_t se = 0; se < n_source_elements_; se++) {
+    flux[se] = source_regions_.scalar_flux_final(se);
+  }
+}
+
 } // namespace openmc
diff --git a/src/random_ray/linear_source_domain.cpp b/src/random_ray/linear_source_domain.cpp
index f3f6fa068..fb6502a3e 100644
--- a/src/random_ray/linear_source_domain.cpp
+++ b/src/random_ray/linear_source_domain.cpp
@@ -20,33 +20,17 @@ namespace openmc {
 // LinearSourceDomain implementation
 //==============================================================================
 
-LinearSourceDomain::LinearSourceDomain() : FlatSourceDomain()
-{
-  // First order spatial moment of the scalar flux
-  flux_moments_old_.assign(n_source_elements_, {0.0, 0.0, 0.0});
-  flux_moments_new_.assign(n_source_elements_, {0.0, 0.0, 0.0});
-  flux_moments_t_.assign(n_source_elements_, {0.0, 0.0, 0.0});
-  // Source gradients given by M inverse multiplied by source moments
-  source_gradients_.assign(n_source_elements_, {0.0, 0.0, 0.0});
-
-  centroid_.assign(n_source_regions_, {0.0, 0.0, 0.0});
-  centroid_iteration_.assign(n_source_regions_, {0.0, 0.0, 0.0});
-  centroid_t_.assign(n_source_regions_, {0.0, 0.0, 0.0});
-  mom_matrix_.assign(n_source_regions_, {0.0, 0.0, 0.0, 0.0, 0.0, 0.0});
-  mom_matrix_t_.assign(n_source_regions_, {0.0, 0.0, 0.0, 0.0, 0.0, 0.0});
-}
-
 void LinearSourceDomain::batch_reset()
 {
   FlatSourceDomain::batch_reset();
 #pragma omp parallel for
-  for (int64_t se = 0; se < n_source_elements_; se++) {
-    flux_moments_new_[se] = {0.0, 0.0, 0.0};
+  for (int64_t sr = 0; sr < n_source_regions_; sr++) {
+    source_regions_.centroid_iteration(sr) = {0.0, 0.0, 0.0};
+    source_regions_.mom_matrix(sr) = {0.0, 0.0, 0.0, 0.0, 0.0, 0.0};
   }
 #pragma omp parallel for
-  for (int64_t sr = 0; sr < n_source_regions_; sr++) {
-    centroid_iteration_[sr] = {0.0, 0.0, 0.0};
-    mom_matrix_[sr] = {0.0, 0.0, 0.0, 0.0, 0.0, 0.0};
+  for (int64_t se = 0; se < n_source_elements_; se++) {
+    source_regions_.flux_moments_new(se) = {0.0, 0.0, 0.0};
   }
 }
 
@@ -57,10 +41,9 @@ void LinearSourceDomain::update_neutron_source(double k_eff)
   double inverse_k_eff = 1.0 / k_eff;
 
 #pragma omp parallel for
-  for (int sr = 0; sr < n_source_regions_; sr++) {
-
-    int material = material_[sr];
-    MomentMatrix invM = mom_matrix_[sr].inverse();
+  for (int64_t sr = 0; sr < n_source_regions_; sr++) {
+    int material = source_regions_.material(sr);
+    MomentMatrix invM = source_regions_.mom_matrix(sr).inverse();
 
     for (int g_out = 0; g_out < negroups_; g_out++) {
       double sigma_t = sigma_t_[material * negroups_ + g_out];
@@ -72,8 +55,8 @@ void LinearSourceDomain::update_neutron_source(double k_eff)
 
       for (int g_in = 0; g_in < negroups_; g_in++) {
         // Handles for the flat and linear components of the flux
-        double flux_flat = scalar_flux_old_[sr * negroups_ + g_in];
-        MomentArray flux_linear = flux_moments_old_[sr * negroups_ + g_in];
+        double flux_flat = source_regions_.scalar_flux_old(sr, g_in);
+        MomentArray flux_linear = source_regions_.flux_moments_old(sr, g_in);
 
         // Handles for cross sections
         double sigma_s =
@@ -89,7 +72,7 @@ void LinearSourceDomain::update_neutron_source(double k_eff)
       }
 
       // Compute the flat source term
-      source_[sr * negroups_ + g_out] =
+      source_regions_.source(sr, g_out) =
         (scatter_flat + fission_flat * inverse_k_eff) / sigma_t;
 
       // Compute the linear source terms
@@ -97,7 +80,7 @@ void LinearSourceDomain::update_neutron_source(double k_eff)
       // are not well known, we will leave the source gradients as zero
       // so as to avoid causing any numerical instability.
       if (simulation::current_batch > 10) {
-        source_gradients_[sr * negroups_ + g_out] =
+        source_regions_.source_gradients(sr, g_out) =
           invM * ((scatter_linear + fission_linear * inverse_k_eff) / sigma_t);
       }
     }
@@ -107,7 +90,7 @@ void LinearSourceDomain::update_neutron_source(double k_eff)
 // Add external source to flat source term if in fixed source mode
 #pragma omp parallel for
     for (int64_t se = 0; se < n_source_elements_; se++) {
-      source_[se] += external_source_[se];
+      source_regions_.source(se) += source_regions_.external_source(se);
     }
   }
 
@@ -123,48 +106,44 @@ void LinearSourceDomain::normalize_scalar_flux_and_volumes(
 
 // Normalize flux to total distance travelled by all rays this iteration
 #pragma omp parallel for
-  for (int64_t se = 0; se < scalar_flux_new_.size(); se++) {
-    scalar_flux_new_[se] *= normalization_factor;
-    flux_moments_new_[se] *= normalization_factor;
+  for (int64_t se = 0; se < n_source_elements_; se++) {
+    source_regions_.scalar_flux_new(se) *= normalization_factor;
+    source_regions_.flux_moments_new(se) *= normalization_factor;
   }
 
 // Accumulate cell-wise ray length tallies collected this iteration, then
 // update the simulation-averaged cell-wise volume estimates
 #pragma omp parallel for
   for (int64_t sr = 0; sr < n_source_regions_; sr++) {
-    centroid_t_[sr] += centroid_iteration_[sr];
-    mom_matrix_t_[sr] += mom_matrix_[sr];
-    volume_t_[sr] += volume_[sr];
-    volume_naive_[sr] = volume_[sr] * normalization_factor;
-    volume_[sr] = volume_t_[sr] * volume_normalization_factor;
-    if (volume_t_[sr] > 0.0) {
-      double inv_volume = 1.0 / volume_t_[sr];
-      centroid_[sr] = centroid_t_[sr];
-      centroid_[sr] *= inv_volume;
-      mom_matrix_[sr] = mom_matrix_t_[sr];
-      mom_matrix_[sr] *= inv_volume;
+    source_regions_.centroid_t(sr) += source_regions_.centroid_iteration(sr);
+    source_regions_.mom_matrix_t(sr) += source_regions_.mom_matrix(sr);
+    source_regions_.volume_t(sr) += source_regions_.volume(sr);
+    source_regions_.volume_naive(sr) =
+      source_regions_.volume(sr) * normalization_factor;
+    source_regions_.volume(sr) =
+      source_regions_.volume_t(sr) * volume_normalization_factor;
+    if (source_regions_.volume_t(sr) > 0.0) {
+      double inv_volume = 1.0 / source_regions_.volume_t(sr);
+      source_regions_.centroid(sr) = source_regions_.centroid_t(sr);
+      source_regions_.centroid(sr) *= inv_volume;
+      source_regions_.mom_matrix(sr) = source_regions_.mom_matrix_t(sr);
+      source_regions_.mom_matrix(sr) *= inv_volume;
     }
   }
 }
 
 void LinearSourceDomain::set_flux_to_flux_plus_source(
-  int64_t idx, double volume, int material, int g)
+  int64_t sr, double volume, int g)
 {
-  scalar_flux_new_[idx] /= volume;
-  scalar_flux_new_[idx] += source_[idx];
-  flux_moments_new_[idx] *= (1.0 / volume);
+  source_regions_.scalar_flux_new(sr, g) /= volume;
+  source_regions_.scalar_flux_new(sr, g) += source_regions_.source(sr, g);
+  source_regions_.flux_moments_new(sr, g) *= (1.0 / volume);
 }
 
-void LinearSourceDomain::set_flux_to_old_flux(int64_t idx)
+void LinearSourceDomain::set_flux_to_old_flux(int64_t sr, int g)
 {
-  scalar_flux_new_[idx] = scalar_flux_old_[idx];
-  flux_moments_new_[idx] = flux_moments_old_[idx];
-}
-
-void LinearSourceDomain::flux_swap()
-{
-  FlatSourceDomain::flux_swap();
-  flux_moments_old_.swap(flux_moments_new_);
+  source_regions_.scalar_flux_new(g) = source_regions_.scalar_flux_old(g);
+  source_regions_.flux_moments_new(g) = source_regions_.flux_moments_old(g);
 }
 
 void LinearSourceDomain::accumulate_iteration_flux()
@@ -175,48 +154,20 @@ void LinearSourceDomain::accumulate_iteration_flux()
   // Accumulate scalar flux moments
 #pragma omp parallel for
   for (int64_t se = 0; se < n_source_elements_; se++) {
-    flux_moments_t_[se] += flux_moments_new_[se];
+    source_regions_.flux_moments_t(se) += source_regions_.flux_moments_new(se);
   }
 }
 
-void LinearSourceDomain::all_reduce_replicated_source_regions()
-{
-#ifdef OPENMC_MPI
-  FlatSourceDomain::all_reduce_replicated_source_regions();
-  simulation::time_bank_sendrecv.start();
-
-  // We are going to assume we can safely cast Position, MomentArray,
-  // and MomentMatrix to contiguous arrays of doubles for the MPI
-  // allreduce operation. This is a safe assumption as typically
-  // compilers will at most pad to 8 byte boundaries. If a new FP32 MomentArray
-  // type is introduced, then there will likely be padding, in which case this
-  // function will need to become more complex.
-  if (sizeof(MomentArray) != 3 * sizeof(double) ||
-      sizeof(MomentMatrix) != 6 * sizeof(double)) {
-    fatal_error("Unexpected buffer padding in linear source domain reduction.");
-  }
-
-  MPI_Allreduce(MPI_IN_PLACE, static_cast<void*>(flux_moments_new_.data()),
-    n_source_elements_ * 3, MPI_DOUBLE, MPI_SUM, mpi::intracomm);
-  MPI_Allreduce(MPI_IN_PLACE, static_cast<void*>(mom_matrix_.data()),
-    n_source_regions_ * 6, MPI_DOUBLE, MPI_SUM, mpi::intracomm);
-  MPI_Allreduce(MPI_IN_PLACE, static_cast<void*>(centroid_iteration_.data()),
-    n_source_regions_ * 3, MPI_DOUBLE, MPI_SUM, mpi::intracomm);
-
-  simulation::time_bank_sendrecv.stop();
-#endif
-}
-
 double LinearSourceDomain::evaluate_flux_at_point(
   Position r, int64_t sr, int g) const
 {
   double phi_flat = FlatSourceDomain::evaluate_flux_at_point(r, sr, g);
 
-  Position local_r = r - centroid_[sr];
-  MomentArray phi_linear = flux_moments_t_[sr * negroups_ + g];
+  Position local_r = r - source_regions_.centroid(sr);
+  MomentArray phi_linear = source_regions_.flux_moments_t(sr, g);
   phi_linear *= 1.0 / (settings::n_batches - settings::n_inactive);
 
-  MomentMatrix invM = mom_matrix_[sr].inverse();
+  MomentMatrix invM = source_regions_.mom_matrix(sr).inverse();
   MomentArray phi_solved = invM * phi_linear;
 
   return phi_flat + phi_solved.dot(local_r);
diff --git a/src/random_ray/random_ray.cpp b/src/random_ray/random_ray.cpp
index 7a359f356..9c2a890ec 100644
--- a/src/random_ray/random_ray.cpp
+++ b/src/random_ray/random_ray.cpp
@@ -309,11 +309,9 @@ void RandomRay::attenuate_flux_flat_source(double distance, bool is_active)
   int i_cell = lowest_coord().cell;
 
   // The source region is the spatial region index
-  int64_t source_region =
-    domain_->source_region_offsets_[i_cell] + cell_instance();
+  int64_t sr = domain_->source_region_offsets_[i_cell] + cell_instance();
 
   // The source element is the energy-specific region index
-  int64_t source_element = source_region * negroups_;
   int material = this->material();
 
   // MOC incoming flux attenuation + source contribution/attenuation equation
@@ -322,7 +320,7 @@ void RandomRay::attenuate_flux_flat_source(double distance, bool is_active)
     float tau = sigma_t * distance;
     float exponential = cjosey_exponential(tau); // exponential = 1 - exp(-tau)
     float new_delta_psi =
-      (angular_flux_[g] - domain_->source_[source_element + g]) * exponential;
+      (angular_flux_[g] - domain_->source_regions_.source(sr, g)) * exponential;
     delta_psi_[g] = new_delta_psi;
     angular_flux_[g] -= new_delta_psi;
   }
@@ -332,28 +330,28 @@ void RandomRay::attenuate_flux_flat_source(double distance, bool is_active)
   if (is_active) {
 
     // Aquire lock for source region
-    domain_->lock_[source_region].lock();
+    domain_->source_regions_.lock(sr).lock();
 
     // Accumulate delta psi into new estimate of source region flux for
     // this iteration
     for (int g = 0; g < negroups_; g++) {
-      domain_->scalar_flux_new_[source_element + g] += delta_psi_[g];
+      domain_->source_regions_.scalar_flux_new(sr, g) += delta_psi_[g];
     }
 
     // Accomulate volume (ray distance) into this iteration's estimate
     // of the source region's volume
-    domain_->volume_[source_region] += distance;
+    domain_->source_regions_.volume(sr) += distance;
 
     // Tally valid position inside the source region (e.g., midpoint of
     // the ray) if not done already
-    if (!domain_->position_recorded_[source_region]) {
+    if (!domain_->source_regions_.position_recorded(sr)) {
       Position midpoint = r() + u() * (distance / 2.0);
-      domain_->position_[source_region] = midpoint;
-      domain_->position_recorded_[source_region] = 1;
+      domain_->source_regions_.position(sr) = midpoint;
+      domain_->source_regions_.position_recorded(sr) = 1;
     }
 
     // Release lock
-    domain_->lock_[source_region].unlock();
+    domain_->source_regions_.lock(sr).unlock();
   }
 }
 
@@ -373,14 +371,12 @@ void RandomRay::attenuate_flux_linear_source(double distance, bool is_active)
   int i_cell = lowest_coord().cell;
 
   // The source region is the spatial region index
-  int64_t source_region =
-    domain_->source_region_offsets_[i_cell] + cell_instance();
+  int64_t sr = domain_->source_region_offsets_[i_cell] + cell_instance();
 
   // The source element is the energy-specific region index
-  int64_t source_element = source_region * negroups_;
   int material = this->material();
 
-  Position& centroid = domain->centroid_[source_region];
+  Position& centroid = domain_->source_regions_.centroid(sr);
   Position midpoint = r() + u() * (distance / 2.0);
 
   // Determine the local position of the midpoint and the ray origin
@@ -393,7 +389,7 @@ void RandomRay::attenuate_flux_linear_source(double distance, bool is_active)
   // be no estimate of its centroid. We detect this by checking if it has
   // any accumulated volume. If its volume is zero, just use the midpoint
   // of the ray as the region's centroid.
-  if (domain->volume_t_[source_region]) {
+  if (domain_->source_regions_.volume_t(sr)) {
     rm_local = midpoint - centroid;
     r0_local = r() - centroid;
   } else {
@@ -420,9 +416,10 @@ void RandomRay::attenuate_flux_linear_source(double distance, bool is_active)
     // calculated from the source gradients dot product with local centroid
     // and direction, respectively.
     float spatial_source =
-      domain_->source_[source_element + g] +
-      rm_local.dot(domain->source_gradients_[source_element + g]);
-    float dir_source = u().dot(domain->source_gradients_[source_element + g]);
+      domain_->source_regions_.source(sr, g) +
+      rm_local.dot(domain_->source_regions_.source_gradients(sr, g));
+    float dir_source =
+      u().dot(domain_->source_regions_.source_gradients(sr, g));
 
     float gn = exponentialG(tau);
     float f1 = 1.0f - tau * gn;
@@ -465,33 +462,33 @@ void RandomRay::attenuate_flux_linear_source(double distance, bool is_active)
       rm_local, u(), distance);
 
     // Aquire lock for source region
-    domain_->lock_[source_region].lock();
+    domain_->source_regions_.lock(sr).lock();
 
     // Accumulate deltas into the new estimate of source region flux for this
     // iteration
     for (int g = 0; g < negroups_; g++) {
-      domain_->scalar_flux_new_[source_element + g] += delta_psi_[g];
-      domain->flux_moments_new_[source_element + g] += delta_moments_[g];
+      domain_->source_regions_.scalar_flux_new(sr, g) += delta_psi_[g];
+      domain_->source_regions_.flux_moments_new(sr, g) += delta_moments_[g];
     }
 
     // Accumulate the volume (ray segment distance), centroid, and spatial
     // momement estimates into the running totals for the iteration for this
     // source region. The centroid and spatial momements estimates are scaled by
     // the ray segment length as part of length averaging of the estimates.
-    domain_->volume_[source_region] += distance;
-    domain->centroid_iteration_[source_region] += midpoint * distance;
+    domain_->source_regions_.volume(sr) += distance;
+    domain_->source_regions_.centroid_iteration(sr) += midpoint * distance;
     moment_matrix_estimate *= distance;
-    domain->mom_matrix_[source_region] += moment_matrix_estimate;
+    domain_->source_regions_.mom_matrix(sr) += moment_matrix_estimate;
 
     // Tally valid position inside the source region (e.g., midpoint of
     // the ray) if not done already
-    if (!domain_->position_recorded_[source_region]) {
-      domain_->position_[source_region] = midpoint;
-      domain_->position_recorded_[source_region] = 1;
+    if (!domain_->source_regions_.position_recorded(sr)) {
+      domain_->source_regions_.position(sr) = midpoint;
+      domain_->source_regions_.position_recorded(sr) = 1;
     }
 
     // Release lock
-    domain_->lock_[source_region].unlock();
+    domain_->source_regions_.lock(sr).unlock();
   }
 }
 
@@ -537,11 +534,10 @@ void RandomRay::initialize_ray(uint64_t ray_id, FlatSourceDomain* domain)
   // Initialize ray's starting angular flux to starting location's isotropic
   // source
   int i_cell = lowest_coord().cell;
-  int64_t source_region_idx =
-    domain_->source_region_offsets_[i_cell] + cell_instance();
+  int64_t sr = domain_->source_region_offsets_[i_cell] + cell_instance();
 
   for (int g = 0; g < negroups_; g++) {
-    angular_flux_[g] = domain_->source_[source_region_idx * negroups_ + g];
+    angular_flux_[g] = domain_->source_regions_.source(sr, g);
   }
 }
 
diff --git a/src/random_ray/random_ray_simulation.cpp b/src/random_ray/random_ray_simulation.cpp
index a8e6d1b82..c4f719b23 100644
--- a/src/random_ray/random_ray_simulation.cpp
+++ b/src/random_ray/random_ray_simulation.cpp
@@ -66,7 +66,7 @@ void openmc_run_random_ray()
     simulation::time_total.stop();
 
     // Normalize and save the final forward flux
-    forward_flux = sim.domain()->scalar_flux_final_;
+    sim.domain()->serialize_final_fluxes(forward_flux);
 
     double source_normalization_factor =
       sim.domain()->compute_fixed_source_normalization_factor() /
diff --git a/src/random_ray/source_region.cpp b/src/random_ray/source_region.cpp
new file mode 100644
index 000000000..0a20af8a9
--- /dev/null
+++ b/src/random_ray/source_region.cpp
@@ -0,0 +1,236 @@
+#include "openmc/random_ray/source_region.h"
+
+#include "openmc/error.h"
+#include "openmc/message_passing.h"
+
+namespace openmc {
+
+//==============================================================================
+// SourceRegion implementation
+//==============================================================================
+SourceRegion::SourceRegion(int negroups, bool is_linear)
+{
+  if (settings::run_mode == RunMode::EIGENVALUE) {
+    // If in eigenvalue mode, set starting flux to guess of 1
+    scalar_flux_old_.assign(negroups, 1.0);
+  } else {
+    // If in fixed source mode, set starting flux to guess of zero
+    // and initialize external source arrays
+    scalar_flux_old_.assign(negroups, 0.0);
+    external_source_.assign(negroups, 0.0);
+  }
+
+  scalar_flux_new_.assign(negroups, 0.0);
+  source_.resize(negroups);
+  scalar_flux_final_.assign(negroups, 0.0);
+
+  tally_task_.resize(negroups);
+
+  if (is_linear) {
+    source_gradients_.resize(negroups);
+    flux_moments_old_.resize(negroups);
+    flux_moments_new_.resize(negroups);
+    flux_moments_t_.resize(negroups);
+  }
+}
+
+//==============================================================================
+// SourceRegionContainer implementation
+//==============================================================================
+void SourceRegionContainer::push_back(const SourceRegion& sr)
+{
+  n_source_regions_++;
+
+  // Scalar fields
+  material_.push_back(sr.material_);
+  lock_.push_back(sr.lock_);
+  volume_.push_back(sr.volume_);
+  volume_t_.push_back(sr.volume_t_);
+  volume_naive_.push_back(sr.volume_naive_);
+  position_recorded_.push_back(sr.position_recorded_);
+  external_source_present_.push_back(sr.external_source_present_);
+  position_.push_back(sr.position_);
+  volume_task_.push_back(sr.volume_task_);
+
+  // Only store these fields if is_linear_ is true
+  if (is_linear_) {
+    centroid_.push_back(sr.centroid_);
+    centroid_iteration_.push_back(sr.centroid_iteration_);
+    centroid_t_.push_back(sr.centroid_t_);
+    mom_matrix_.push_back(sr.mom_matrix_);
+    mom_matrix_t_.push_back(sr.mom_matrix_t_);
+  }
+
+  // Energy-dependent fields
+  for (int g = 0; g < negroups_; ++g) {
+    scalar_flux_old_.push_back(sr.scalar_flux_old_[g]);
+    scalar_flux_new_.push_back(sr.scalar_flux_new_[g]);
+    scalar_flux_final_.push_back(sr.scalar_flux_final_[g]);
+    source_.push_back(sr.source_[g]);
+    if (settings::run_mode == RunMode::FIXED_SOURCE) {
+      external_source_.push_back(sr.external_source_[g]);
+    }
+
+    // Only store these fields if is_linear_ is true
+    if (is_linear_) {
+      source_gradients_.push_back(sr.source_gradients_[g]);
+      flux_moments_old_.push_back(sr.flux_moments_old_[g]);
+      flux_moments_new_.push_back(sr.flux_moments_new_[g]);
+      flux_moments_t_.push_back(sr.flux_moments_t_[g]);
+    }
+
+    // Tally tasks
+    tally_task_.emplace_back(sr.tally_task_[g]);
+  }
+}
+
+void SourceRegionContainer::assign(
+  int n_source_regions, const SourceRegion& source_region)
+{
+  // Clear existing data
+  n_source_regions_ = 0;
+  material_.clear();
+  lock_.clear();
+  volume_.clear();
+  volume_t_.clear();
+  volume_naive_.clear();
+  position_recorded_.clear();
+  external_source_present_.clear();
+  position_.clear();
+
+  if (is_linear_) {
+    centroid_.clear();
+    centroid_iteration_.clear();
+    centroid_t_.clear();
+    mom_matrix_.clear();
+    mom_matrix_t_.clear();
+  }
+
+  scalar_flux_old_.clear();
+  scalar_flux_new_.clear();
+  scalar_flux_final_.clear();
+  source_.clear();
+  external_source_.clear();
+
+  if (is_linear_) {
+    source_gradients_.clear();
+    flux_moments_old_.clear();
+    flux_moments_new_.clear();
+    flux_moments_t_.clear();
+  }
+
+  tally_task_.clear();
+  volume_task_.clear();
+
+  // Fill with copies of source_region
+  for (int i = 0; i < n_source_regions; ++i) {
+    push_back(source_region);
+  }
+}
+
+void SourceRegionContainer::flux_swap()
+{
+  scalar_flux_old_.swap(scalar_flux_new_);
+  if (is_linear_) {
+    flux_moments_old_.swap(flux_moments_new_);
+  }
+}
+
+void SourceRegionContainer::mpi_sync_ranks(bool reduce_position)
+{
+#ifdef OPENMC_MPI
+
+  // The "position_recorded" variable needs to be allreduced (and maxed),
+  // as whether or not a cell was hit will affect some decisions in how the
+  // source is calculated in the next iteration so as to avoid dividing
+  // by zero. We take the max rather than the sum as the hit values are
+  // expected to be zero or 1.
+  MPI_Allreduce(MPI_IN_PLACE, position_recorded_.data(), 1, MPI_INT, MPI_MAX,
+    mpi::intracomm);
+
+  // The position variable is more complicated to reduce than the others,
+  // as we do not want the sum of all positions in each cell, rather, we
+  // want to just pick any single valid position. Thus, we perform a gather
+  // and then pick the first valid position we find for all source regions
+  // that have had a position recorded. This operation does not need to
+  // be broadcast back to other ranks, as this value is only used for the
+  // tally conversion operation, which is only performed on the master rank.
+  // While this is expensive, it only needs to be done for active batches,
+  // and only if we have not mapped all the tallies yet. Once tallies are
+  // fully mapped, then the position vector is fully populated, so this
+  // operation can be skipped.
+
+  // Then, we perform the gather of position data, if needed
+  if (reduce_position) {
+
+    // Master rank will gather results and pick valid positions
+    if (mpi::master) {
+      // Initialize temporary vector for receiving positions
+      vector<vector<Position>> all_position;
+      all_position.resize(mpi::n_procs);
+      for (int i = 0; i < mpi::n_procs; i++) {
+        all_position[i].resize(n_source_regions_);
+      }
+
+      // Copy master rank data into gathered vector for convenience
+      all_position[0] = position_;
+
+      // Receive all data into gather vector
+      for (int i = 1; i < mpi::n_procs; i++) {
+        MPI_Recv(all_position[i].data(), n_source_regions_ * 3, MPI_DOUBLE, i,
+          0, mpi::intracomm, MPI_STATUS_IGNORE);
+      }
+
+      // Scan through gathered data and pick first valid cell posiiton
+      for (int64_t sr = 0; sr < n_source_regions_; sr++) {
+        if (position_recorded_[sr] == 1) {
+          for (int i = 0; i < mpi::n_procs; i++) {
+            if (all_position[i][sr].x != 0.0 || all_position[i][sr].y != 0.0 ||
+                all_position[i][sr].z != 0.0) {
+              position_[sr] = all_position[i][sr];
+              break;
+            }
+          }
+        }
+      }
+    } else {
+      // Other ranks just send in their data
+      MPI_Send(position_.data(), n_source_regions_ * 3, MPI_DOUBLE, 0, 0,
+        mpi::intracomm);
+    }
+  }
+
+  // For the rest of the source region data, we simply perform an all reduce,
+  // as these values will be needed on all ranks for transport during the
+  // next iteration.
+  MPI_Allreduce(MPI_IN_PLACE, volume_.data(), n_source_regions_, MPI_DOUBLE,
+    MPI_SUM, mpi::intracomm);
+
+  MPI_Allreduce(MPI_IN_PLACE, scalar_flux_new_.data(),
+    n_source_regions_ * negroups_, MPI_DOUBLE, MPI_SUM, mpi::intracomm);
+
+  if (is_linear_) {
+    // We are going to assume we can safely cast Position, MomentArray,
+    // and MomentMatrix to contiguous arrays of doubles for the MPI
+    // allreduce operation. This is a safe assumption as typically
+    // compilers will at most pad to 8 byte boundaries. If a new FP32
+    // MomentArray type is introduced, then there will likely be padding, in
+    // which case this function will need to become more complex.
+    if (sizeof(MomentArray) != 3 * sizeof(double) ||
+        sizeof(MomentMatrix) != 6 * sizeof(double)) {
+      fatal_error(
+        "Unexpected buffer padding in linear source domain reduction.");
+    }
+
+    MPI_Allreduce(MPI_IN_PLACE, static_cast<void*>(flux_moments_new_.data()),
+      n_source_regions_ * negroups_ * 3, MPI_DOUBLE, MPI_SUM, mpi::intracomm);
+    MPI_Allreduce(MPI_IN_PLACE, static_cast<void*>(mom_matrix_.data()),
+      n_source_regions_ * 6, MPI_DOUBLE, MPI_SUM, mpi::intracomm);
+    MPI_Allreduce(MPI_IN_PLACE, static_cast<void*>(centroid_iteration_.data()),
+      n_source_regions_ * 3, MPI_DOUBLE, MPI_SUM, mpi::intracomm);
+  }
+
+#endif
+}
+
+} // namespace openmc
\ No newline at end of file

From e9ddf885e79aed1ade482d2d0fc5a170cfb30a22 Mon Sep 17 00:00:00 2001
From: Jose Ignacio Marquez Damian <22483345+marquezj@users.noreply.github.com>
Date: Wed, 12 Feb 2025 01:12:52 +0100
Subject: [PATCH 2234/2654] Correct normalization of thermal elastic in non
 standard ENDF-6 files (#3234)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/data/thermal.py                | 137 +++++++++++++++-----------
 tests/unit_tests/test_data_thermal.py |   6 +-
 2 files changed, 85 insertions(+), 58 deletions(-)

diff --git a/openmc/data/thermal.py b/openmc/data/thermal.py
index df4dc1503..4ecc7c040 100644
--- a/openmc/data/thermal.py
+++ b/openmc/data/thermal.py
@@ -5,7 +5,6 @@ from numbers import Real
 from io import StringIO
 import itertools
 import os
-import re
 import tempfile
 from warnings import warn
 
@@ -871,7 +870,7 @@ class ThermalScattering(EqualityMixin):
     @classmethod
     def from_njoy(cls, filename, filename_thermal, temperatures=None,
                   evaluation=None, evaluation_thermal=None,
-                  use_endf_data=True, **kwargs):
+                  use_endf_data=True, divide_incoherent_elastic=False, **kwargs):
         """Generate thermal scattering data by running NJOY.
 
         Parameters
@@ -894,8 +893,13 @@ class ThermalScattering(EqualityMixin):
         use_endf_data : bool
             If the material has incoherent elastic scattering, the ENDF data
             will be used rather than the ACE data.
+        divide_incoherent_elastic : bool
+            Divide incoherent elastic cross section by number of principal
+            atoms. This is not part of the ENDF-6 standard but it is how it is
+            processed by NJOY.
         **kwargs
-            Keyword arguments passed to :func:`openmc.data.njoy.make_ace_thermal`
+            Keyword arguments passed to
+            :func:`openmc.data.njoy.make_ace_thermal`
 
         Returns
         -------
@@ -920,7 +924,7 @@ class ThermalScattering(EqualityMixin):
 
             # Load ENDF data to replace incoherent elastic
             if use_endf_data:
-                data_endf = cls.from_endf(filename_thermal)
+                data_endf = cls.from_endf(filename_thermal, divide_incoherent_elastic)
                 if data_endf.elastic is not None:
                     # Get appropriate temperatures
                     if temperatures is None:
@@ -938,7 +942,7 @@ class ThermalScattering(EqualityMixin):
         return data
 
     @classmethod
-    def from_endf(cls, ev_or_filename):
+    def from_endf(cls, ev_or_filename, divide_incoherent_elastic=False):
         """Generate thermal scattering data from an ENDF file
 
         Parameters
@@ -946,6 +950,10 @@ class ThermalScattering(EqualityMixin):
         ev_or_filename : openmc.data.endf.Evaluation or str
             ENDF evaluation to read from. If given as a string, it is assumed to
             be the filename for the ENDF file.
+        divide_incoherent_elastic : bool
+            Divide incoherent elastic cross section by number of principal
+            atoms. This is not part of the ENDF-6 standard but it is how it is
+            processed by NJOY.
 
         Returns
         -------
@@ -958,56 +966,6 @@ class ThermalScattering(EqualityMixin):
         else:
             ev = endf.Evaluation(ev_or_filename)
 
-        # Read coherent/incoherent elastic data
-        elastic = None
-        if (7, 2) in ev.section:
-            # Define helper functions to avoid duplication
-            def get_coherent_elastic(file_obj):
-                # Get structure factor at first temperature
-                params, S = endf.get_tab1_record(file_obj)
-                strT = _temperature_str(params[0])
-                n_temps = params[2]
-                bragg_edges = S.x
-                xs = {strT: CoherentElastic(bragg_edges, S.y)}
-                distribution = {strT: CoherentElasticAE(xs[strT])}
-
-                # Get structure factor for subsequent temperatures
-                for _ in range(n_temps):
-                    params, S = endf.get_list_record(file_obj)
-                    strT = _temperature_str(params[0])
-                    xs[strT] = CoherentElastic(bragg_edges, S)
-                    distribution[strT] = CoherentElasticAE(xs[strT])
-                return xs, distribution
-
-            def get_incoherent_elastic(file_obj):
-                params, W = endf.get_tab1_record(file_obj)
-                bound_xs = params[0]
-                xs = {}
-                distribution = {}
-                for T, debye_waller in zip(W.x, W.y):
-                    strT = _temperature_str(T)
-                    xs[strT] = IncoherentElastic(bound_xs, debye_waller)
-                    distribution[strT] = IncoherentElasticAE(debye_waller)
-                return xs, distribution
-
-            file_obj = StringIO(ev.section[7, 2])
-            lhtr = endf.get_head_record(file_obj)[2]
-            if lhtr == 1:
-                # coherent elastic
-                xs, distribution = get_coherent_elastic(file_obj)
-            elif lhtr == 2:
-                # incoherent elastic
-                xs, distribution = get_incoherent_elastic(file_obj)
-            elif lhtr == 3:
-                # mixed coherent / incoherent elastic
-                xs_c, dist_c = get_coherent_elastic(file_obj)
-                xs_i, dist_i = get_incoherent_elastic(file_obj)
-                assert sorted(xs_c) == sorted(xs_i)
-                xs = {T: Sum([xs_c[T], xs_i[T]]) for T in xs_c}
-                distribution = {T: MixedElasticAE(dist_c[T], dist_i[T]) for T in dist_c}
-
-            elastic = ThermalScatteringReaction(xs, distribution)
-
         # Read incoherent inelastic data
         assert (7, 4) in ev.section, 'No MF=7, MT=4 found in thermal scattering'
         file_obj = StringIO(ev.section[7, 4])
@@ -1022,6 +980,7 @@ class ThermalScattering(EqualityMixin):
         data['A0'] = awr = B[2]
         data['e_max'] = energy_max = B[3]
         data['M0'] = B[5]
+        free_xs = data['free_atom_xs'] / data['M0']
 
         # Get information about non-principal atoms
         n_non_principal = params[5]
@@ -1066,6 +1025,74 @@ class ThermalScattering(EqualityMixin):
                 _, Teff = endf.get_tab1_record(file_obj)
                 data['effective_temperature'].append(Teff)
 
+        # Read coherent/incoherent elastic data
+        elastic = None
+        if (7, 2) in ev.section:
+            # Define helper functions to avoid duplication
+            def get_coherent_elastic(file_obj):
+                # Get structure factor at first temperature
+                params, S = endf.get_tab1_record(file_obj)
+                strT = _temperature_str(params[0])
+                n_temps = params[2]
+                bragg_edges = S.x
+                xs = {strT: CoherentElastic(bragg_edges, S.y)}
+                distribution = {strT: CoherentElasticAE(xs[strT])}
+
+                # Get structure factor for subsequent temperatures
+                for _ in range(n_temps):
+                    params, S = endf.get_list_record(file_obj)
+                    strT = _temperature_str(params[0])
+                    xs[strT] = CoherentElastic(bragg_edges, S)
+                    distribution[strT] = CoherentElasticAE(xs[strT])
+                return xs, distribution
+
+            def get_incoherent_elastic(file_obj, natom):
+                params, W = endf.get_tab1_record(file_obj)
+                bound_xs = params[0]/natom
+
+                # Check whether divide_incoherent_elastic was applied correctly
+                if abs(free_xs - bound_xs/(1 + 1/data['A0'])**2) > 0.5:
+                    if divide_incoherent_elastic:
+                        msg = (
+                            'Thermal scattering evaluation follows ENDF-6 '
+                            'definition of bound cross section but '
+                            'divide_incoherent_elastic=True.'
+                        )
+                    else:
+                        msg = (
+                            'Thermal scattering evaluation follows NJOY '
+                            'definition of bound cross section but '
+                            'divide_incoherent_elastic=False.'
+                        )
+                    warn(msg)
+
+                xs = {}
+                distribution = {}
+                for T, debye_waller in zip(W.x, W.y):
+                    strT = _temperature_str(T)
+                    xs[strT] = IncoherentElastic(bound_xs, debye_waller)
+                    distribution[strT] = IncoherentElasticAE(debye_waller)
+                return xs, distribution
+
+            file_obj = StringIO(ev.section[7, 2])
+            lhtr = endf.get_head_record(file_obj)[2]
+            natom = data['M0'] if divide_incoherent_elastic else 1
+            if lhtr == 1:
+                # coherent elastic
+                xs, distribution = get_coherent_elastic(file_obj)
+            elif lhtr == 2:
+                # incoherent elastic
+                xs, distribution = get_incoherent_elastic(file_obj, natom)
+            elif lhtr == 3:
+                # mixed coherent / incoherent elastic
+                xs_c, dist_c = get_coherent_elastic(file_obj)
+                xs_i, dist_i = get_incoherent_elastic(file_obj, natom)
+                assert sorted(xs_c) == sorted(xs_i)
+                xs = {T: Sum([xs_c[T], xs_i[T]]) for T in xs_c}
+                distribution = {T: MixedElasticAE(dist_c[T], dist_i[T]) for T in dist_c}
+
+            elastic = ThermalScatteringReaction(xs, distribution)
+
         name = ev.target['zsymam'].strip()
         instance = cls(name, awr, energy_max, kTs)
         if elastic is not None:
diff --git a/tests/unit_tests/test_data_thermal.py b/tests/unit_tests/test_data_thermal.py
index 9f5a8cb40..c9fd9045b 100644
--- a/tests/unit_tests/test_data_thermal.py
+++ b/tests/unit_tests/test_data_thermal.py
@@ -41,7 +41,7 @@ def hzrh():
     """H in ZrH thermal scattering data."""
     endf_data = os.environ['OPENMC_ENDF_DATA']
     filename = os.path.join(endf_data, 'thermal_scatt', 'tsl-HinZrH.endf')
-    return openmc.data.ThermalScattering.from_endf(filename)
+    return openmc.data.ThermalScattering.from_endf(filename, divide_incoherent_elastic=True)
 
 
 @pytest.fixture(scope='module')
@@ -64,7 +64,7 @@ def sio2():
     """SiO2 thermal scattering data."""
     endf_data = os.environ['OPENMC_ENDF_DATA']
     filename = os.path.join(endf_data, 'thermal_scatt', 'tsl-SiO2.endf')
-    return openmc.data.ThermalScattering.from_endf(filename)
+    return openmc.data.ThermalScattering.from_endf(filename, divide_incoherent_elastic=True)
 
 
 def test_h2o_attributes(h2o):
@@ -144,7 +144,7 @@ def test_continuous_dist(h2o_njoy):
 def test_h2o_endf():
     endf_data = os.environ['OPENMC_ENDF_DATA']
     filename = os.path.join(endf_data, 'thermal_scatt', 'tsl-HinH2O.endf')
-    h2o = openmc.data.ThermalScattering.from_endf(filename)
+    h2o = openmc.data.ThermalScattering.from_endf(filename, divide_incoherent_elastic=True)
     assert not h2o.elastic
     assert h2o.atomic_weight_ratio == pytest.approx(0.99917)
     assert h2o.energy_max == pytest.approx(3.99993)

From 18c3112415aa19947737ffcd70641a194faa98dd Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Wed, 12 Feb 2025 07:03:17 -0600
Subject: [PATCH 2235/2654] Adding tmate action to CI for debugging (#3138)

---
 .github/workflows/ci.yml       | 20 +++++++++++++++++++-
 docs/source/devguide/tests.rst | 24 ++++++++++++++++++++++++
 2 files changed, 43 insertions(+), 1 deletion(-)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index c5051b8d0..e69a13db9 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -88,6 +88,8 @@ jobs:
 
     steps:
       - uses: actions/checkout@v4
+        with:
+          fetch-depth: 2
 
       - name: Set up Python ${{ matrix.python-version }}
         uses: actions/setup-python@v5
@@ -98,7 +100,17 @@ jobs:
         run: |
           echo "OPENMC_CROSS_SECTIONS=$HOME/nndc_hdf5/cross_sections.xml" >> $GITHUB_ENV
           echo "OPENMC_ENDF_DATA=$HOME/endf-b-vii.1" >> $GITHUB_ENV
-
+          # get the sha of the last branch commit
+          # for push and workflow_dispatch events, use the current reference head
+          BRANCH_SHA=HEAD
+          # for a pull_request event, use the last reference of the parents of the merge commit
+          if [ "${{ github.event_name }}" == "pull_request" ]; then
+            BRANCH_SHA=$(git rev-list --parents -n 1 HEAD | rev | cut -d" " -f 1 | rev)
+          fi
+          COMMIT_MESSAGE=$(git log $BRANCH_SHA -1 --pretty=%B)
+          echo ${COMMIT_MESSAGE}
+          echo "COMMIT_MESSAGE=${COMMIT_MESSAGE}" >> $GITHUB_ENV
+          
       - name: Apt dependencies
         shell: bash
         run: |
@@ -153,6 +165,12 @@ jobs:
           CTEST_OUTPUT_ON_FAILURE=1 make test -C $GITHUB_WORKSPACE/build/
           $GITHUB_WORKSPACE/tools/ci/gha-script.sh
 
+      - name: Setup tmate debug session
+        continue-on-error: true
+        if: ${{ contains(env.COMMIT_MESSAGE, '[gha-debug]') }}
+        uses: mxschmitt/action-tmate@v3
+        timeout-minutes: 10
+      
       - name: after_success
         shell: bash
         run: |
diff --git a/docs/source/devguide/tests.rst b/docs/source/devguide/tests.rst
index d8fc53b3a..3665ad9d4 100644
--- a/docs/source/devguide/tests.rst
+++ b/docs/source/devguide/tests.rst
@@ -84,6 +84,30 @@ that, consider the following:
   limit the number of threads that OpenBLAS uses internally; this can be done by
   setting the :envvar:`OPENBLAS_NUM_THREADS` environment variable to 1.
 
+Debugging Tests in CI
+---------------------
+
+.. _tmate: <https://github.com/mxschmitt/action-tmate?tab=readme-ov-file#debug-your-github-actions-by-using-tmate>`_
+
+Tests can be debugged in CI using a feature called `tmate`_. CI debugging can be
+enabled by including "[gha-debug]" in the commit message. When the test fails, a
+link similar to the one shown below will be provided in the GitHub Actions
+output after failure occurs. Logging into the provided link will allow you to
+debug the test in the CI environment. The following is an example of the output
+shown in the CI log that provides the link to the tmate session:
+
+.. code-block:: text
+   :linenos:
+
+   Created new session successfully
+   ssh 2VcykjU7vNdvAzEjQcc839GM2@nyc1.tmate.io
+   https://tmate.io/t/2VcykjU7vNdvAzEjQcc839GM2
+   Entering main loop
+   Web shell: https://tmate.io/t/2VcykjU7vNdvAzEjQcc839GM2
+   SSH: ssh 2VcykjU7vNdvAzEjQcc839GM2@nyc1.tmate.io
+   ...
+
+
 Generating XML Inputs
 ---------------------
 

From 78bf4cf145d2477fd0efed51c6506d3dda940d43 Mon Sep 17 00:00:00 2001
From: rherrero-pf <156206440+rherrero-pf@users.noreply.github.com>
Date: Thu, 13 Feb 2025 22:26:36 +0100
Subject: [PATCH 2236/2654] Add VTU export for Unstructured meshes (#3290)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/mesh.py                | 85 ++++++++++++++++++++++-------------
 tests/unit_tests/test_mesh.py | 82 +++++++++++++++++++++++++++++++++
 2 files changed, 136 insertions(+), 31 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index e4d83d81d..4c594c9c6 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -9,6 +9,7 @@ from numbers import Integral, Real
 import h5py
 import lxml.etree as ET
 import numpy as np
+from pathlib import Path
 
 import openmc
 import openmc.checkvalue as cv
@@ -2358,55 +2359,71 @@ class UnstructuredMesh(MeshBase):
         self.write_data_to_vtk(**kwargs)
 
     def write_data_to_vtk(
-            self,
-            filename: PathLike | None  = None,
-            datasets: dict | None = None,
-            volume_normalization: bool = True
+        self,
+        filename: PathLike | None = None,
+        datasets: dict | None = None,
+        volume_normalization: bool = True,
     ):
         """Map data to unstructured VTK mesh elements.
 
+        If filename is None, then a filename will be generated based on the mesh
+        ID, and exported to VTK format.
+
         Parameters
         ----------
         filename : str or pathlib.Path
-            Name of the VTK file to write
+            Name of the VTK file to write. If the filename ends in '.vtu' then a
+            binary VTU format file will be written, if the filename ends in
+            '.vtk' then a legacy VTK file will be written.
         datasets : dict
-            Dictionary whose keys are the data labels
-            and values are numpy appropriately sized arrays
-            of the data
+            Dictionary whose keys are the data labels and values are numpy
+            appropriately sized arrays of the data
         volume_normalization : bool
-            Whether or not to normalize the data by the
-            volume of the mesh elements
+            Whether or not to normalize the data by the volume of the mesh
+            elements
         """
-        import vtk
-        from vtk.util import numpy_support as nps
+        from vtkmodules.util import numpy_support
+        from vtkmodules import vtkCommonCore
+        from vtkmodules import vtkCommonDataModel
+        from vtkmodules import vtkIOLegacy
+        from vtkmodules import vtkIOXML
 
         if self.connectivity is None or self.vertices is None:
-            raise RuntimeError('This mesh has not been '
-                               'loaded from a statepoint file.')
+            raise RuntimeError(
+                "This mesh has not been loaded from a statepoint file."
+            )
 
         if filename is None:
-            filename = f'mesh_{self.id}.vtk'
+            filename = f"mesh_{self.id}.vtk"
 
-        writer = vtk.vtkUnstructuredGridWriter()
+        if Path(filename).suffix == ".vtk":
+            writer = vtkIOLegacy.vtkUnstructuredGridWriter()
+
+        elif Path(filename).suffix == ".vtu":
+            writer = vtkIOXML.vtkXMLUnstructuredGridWriter()
+            writer.SetCompressorTypeToZLib()
+            writer.SetDataModeToBinary()
 
         writer.SetFileName(str(filename))
 
-        grid = vtk.vtkUnstructuredGrid()
+        grid = vtkCommonDataModel.vtkUnstructuredGrid()
 
-        vtk_pnts = vtk.vtkPoints()
-        vtk_pnts.SetData(nps.numpy_to_vtk(self.vertices))
-        grid.SetPoints(vtk_pnts)
+        points = vtkCommonCore.vtkPoints()
+        points.SetData(numpy_support.numpy_to_vtk(self.vertices))
+        grid.SetPoints(points)
 
         n_skipped = 0
         for elem_type, conn in zip(self.element_types, self.connectivity):
             if elem_type == self._LINEAR_TET:
-                elem = vtk.vtkTetra()
+                elem = vtkCommonDataModel.vtkTetra()
             elif elem_type == self._LINEAR_HEX:
-                elem = vtk.vtkHexahedron()
+                elem = vtkCommonDataModel.vtkHexahedron()
             elif elem_type == self._UNSUPPORTED_ELEM:
                 n_skipped += 1
+                continue
             else:
-                raise RuntimeError(f'Invalid element type {elem_type} found')
+                raise RuntimeError(f"Invalid element type {elem_type} found")
+
             for i, c in enumerate(conn):
                 if c == -1:
                     break
@@ -2415,30 +2432,36 @@ class UnstructuredMesh(MeshBase):
             grid.InsertNextCell(elem.GetCellType(), elem.GetPointIds())
 
         if n_skipped > 0:
-            warnings.warn(f'{n_skipped} elements were not written because '
-                          'they are not of type linear tet/hex')
+            warnings.warn(
+                f"{n_skipped} elements were not written because "
+                "they are not of type linear tet/hex"
+            )
 
         # check that datasets are the correct size
         datasets_out = []
         if datasets is not None:
             for name, data in datasets.items():
                 if data.shape != self.dimension:
-                    raise ValueError(f'Cannot apply dataset "{name}" with '
-                                     f'shape {data.shape} to mesh {self.id} '
-                                     f'with dimensions {self.dimension}')
+                    raise ValueError(
+                        f'Cannot apply dataset "{name}" with '
+                        f"shape {data.shape} to mesh {self.id} "
+                        f"with dimensions {self.dimension}"
+                    )
 
             if volume_normalization:
                 for name, data in datasets.items():
                     if np.issubdtype(data.dtype, np.integer):
-                        warnings.warn(f'Integer data set "{name}" will '
-                                      'not be volume-normalized.')
+                        warnings.warn(
+                            f'Integer data set "{name}" will '
+                            "not be volume-normalized."
+                        )
                         continue
                     data /= self.volumes
 
             # add data to the mesh
             for name, data in datasets.items():
                 datasets_out.append(data)
-                arr = vtk.vtkDoubleArray()
+                arr = vtkCommonCore.vtkDoubleArray()
                 arr.SetName(name)
                 arr.SetNumberOfTuples(data.size)
 
diff --git a/tests/unit_tests/test_mesh.py b/tests/unit_tests/test_mesh.py
index 27322165f..3f307dda8 100644
--- a/tests/unit_tests/test_mesh.py
+++ b/tests/unit_tests/test_mesh.py
@@ -1,8 +1,11 @@
 from math import pi
+from pathlib import Path
 
 import numpy as np
 import pytest
 import openmc
+import openmc.lib
+from openmc.utility_funcs import change_directory
 
 
 @pytest.mark.parametrize("val_left,val_right", [(0, 0), (-1., -1.), (2.0, 2)])
@@ -398,6 +401,85 @@ def test_umesh_roundtrip(run_in_tmpdir, request):
     assert umesh.id == xml_mesh.id
 
 
+@pytest.fixture(scope='module')
+def simple_umesh(request):
+    """Fixture returning UnstructuredMesh with all attributes"""
+    surf1 = openmc.Sphere(r=20.0, boundary_type="vacuum")
+    material1 = openmc.Material()
+    material1.add_element("H", 1.0)
+    material1.set_density('g/cm3', 1.0)
+
+    materials = openmc.Materials([material1])
+    cell1 = openmc.Cell(region=-surf1, fill=material1)
+    geometry = openmc.Geometry([cell1])
+
+    umesh = openmc.UnstructuredMesh(
+       filename=request.path.parent.parent
+        / "regression_tests/external_moab/test_mesh_tets.h5m",
+       library="moab",
+       mesh_id=1
+    )
+    # setting ID to make it easier to get the mesh from the statepoint later
+    mesh_filter = openmc.MeshFilter(umesh)
+
+    # Create flux mesh tally to score alpha production
+    mesh_tally = openmc.Tally(name="test_tally")
+    mesh_tally.filters = [mesh_filter]
+    mesh_tally.scores = ["total"]
+
+    tallies = openmc.Tallies([mesh_tally])
+
+    settings = openmc.Settings()
+    settings.run_mode = "fixed source"
+    settings.batches = 2
+    settings.particles = 100
+    settings.source = openmc.IndependentSource(
+        space=openmc.stats.Point((0.1, 0.1, 0.1))
+    )
+
+    model = openmc.Model(
+        materials=materials, geometry=geometry, settings=settings, tallies=tallies
+    )
+
+    with change_directory(tmpdir=True):
+        statepoint_file = model.run()
+        with openmc.StatePoint(statepoint_file) as sp:
+            return sp.meshes[1]
+
+
+@pytest.mark.skipif(not openmc.lib._dagmc_enabled(), reason="DAGMC not enabled.")
+@pytest.mark.parametrize('export_type', ('.vtk', '.vtu'))
+def test_umesh(run_in_tmpdir, simple_umesh, export_type):
+    """Performs a minimal UnstructuredMesh simulation, reads in the resulting
+    statepoint file and writes the mesh data to vtk and vtkhdf files. It is
+    necessary to read in the unstructured mesh from a statepoint file to ensure
+    it has all the required attributes
+    """
+    # Get VTK modules
+    vtkIOLegacy = pytest.importorskip("vtkmodules.vtkIOLegacy")
+    vtkIOXML = pytest.importorskip("vtkmodules.vtkIOXML")
+
+    # Sample some random data and write to VTK
+    rng = np.random.default_rng()
+    ref_data = rng.random(simple_umesh.dimension)
+    filename = f"test_mesh{export_type}"
+    simple_umesh.write_data_to_vtk(datasets={"mean": ref_data}, filename=filename)
+
+    assert Path(filename).exists()
+
+    if export_type == ".vtk":
+        reader = vtkIOLegacy.vtkGenericDataObjectReader()
+    elif export_type == ".vtu":
+        reader = vtkIOXML.vtkXMLGenericDataObjectReader()
+    reader.SetFileName(str(filename))
+    reader.Update()
+
+    # Get mean from file and make sure it matches original data
+    arr = reader.GetOutput().GetCellData().GetArray("mean")
+    mean = np.array([arr.GetTuple1(i) for i in range(ref_data.size)])
+    np.testing.assert_almost_equal(mean, ref_data)
+
+
 def test_mesh_get_homogenized_materials():
     """Test the get_homogenized_materials method"""
     # Simple model with 1 cm of Fe56 next to 1 cm of H1

From 0ceb49bc5cb9c7fa8853db6822f82ff73a909a7e Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 13 Feb 2025 18:04:04 -0600
Subject: [PATCH 2237/2654] Avoid error in CI from newlines in commit message
 (#3302)

---
 .github/workflows/ci.yml | 6 +++---
 1 file changed, 3 insertions(+), 3 deletions(-)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index e69a13db9..de99bbbe2 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -107,10 +107,10 @@ jobs:
           if [ "${{ github.event_name }}" == "pull_request" ]; then
             BRANCH_SHA=$(git rev-list --parents -n 1 HEAD | rev | cut -d" " -f 1 | rev)
           fi
-          COMMIT_MESSAGE=$(git log $BRANCH_SHA -1 --pretty=%B)
+          COMMIT_MESSAGE=$(git log $BRANCH_SHA -1 --pretty=%B | tr '\n' ' ')
           echo ${COMMIT_MESSAGE}
           echo "COMMIT_MESSAGE=${COMMIT_MESSAGE}" >> $GITHUB_ENV
-          
+
       - name: Apt dependencies
         shell: bash
         run: |
@@ -170,7 +170,7 @@ jobs:
         if: ${{ contains(env.COMMIT_MESSAGE, '[gha-debug]') }}
         uses: mxschmitt/action-tmate@v3
         timeout-minutes: 10
-      
+
       - name: after_success
         shell: bash
         run: |

From 02e225b8f66d7f22b80e4f0c8cf78090178638e6 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Fri, 14 Feb 2025 05:03:19 +0100
Subject: [PATCH 2238/2654] Avoid end of life ubuntu 20.04 in ReadTheDocs
 runner (#3301)

Co-authored-by: Jon Shimwell <jon@proximafusion.com>
---
 .readthedocs.yaml | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/.readthedocs.yaml b/.readthedocs.yaml
index 7b69b64b6..8bbc7d01f 100644
--- a/.readthedocs.yaml
+++ b/.readthedocs.yaml
@@ -1,7 +1,7 @@
 version: 2
 
 build:
-  os: "ubuntu-20.04"
+  os: "ubuntu-24.04"
   tools:
     python: "3.12"
 

From be4396c12bd09ad0ea81eadc90e16888bab93dff Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Fri, 14 Feb 2025 17:39:09 +0100
Subject: [PATCH 2239/2654] adding non elastic MT number (#3285)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/data/reaction.py | 10 +++++-----
 src/reaction.cpp        |  1 +
 2 files changed, 6 insertions(+), 5 deletions(-)

diff --git a/openmc/data/reaction.py b/openmc/data/reaction.py
index 8f90d2de4..65b59582c 100644
--- a/openmc/data/reaction.py
+++ b/openmc/data/reaction.py
@@ -25,11 +25,11 @@ from .product import Product
 from .uncorrelated import UncorrelatedAngleEnergy
 
 
-REACTION_NAME = {1: '(n,total)', 2: '(n,elastic)', 4: '(n,level)',
-                 5: '(n,misc)', 11: '(n,2nd)', 16: '(n,2n)', 17: '(n,3n)',
-                 18: '(n,fission)', 19: '(n,f)', 20: '(n,nf)', 21: '(n,2nf)',
-                 22: '(n,na)', 23: '(n,n3a)', 24: '(n,2na)', 25: '(n,3na)',
-                 27: '(n,absorption)', 28: '(n,np)', 29: '(n,n2a)',
+REACTION_NAME = {1: '(n,total)', 2: '(n,elastic)', 3: "(n,nonelastic)",
+                 4: '(n,level)', 5: '(n,misc)', 11: '(n,2nd)', 16: '(n,2n)',
+                 17: '(n,3n)', 18: '(n,fission)', 19: '(n,f)', 20: '(n,nf)',
+                 21: '(n,2nf)', 22: '(n,na)', 23: '(n,n3a)', 24: '(n,2na)',
+                 25: '(n,3na)', 27: '(n,absorption)', 28: '(n,np)', 29: '(n,n2a)',
                  30: '(n,2n2a)', 32: '(n,nd)', 33: '(n,nt)', 34: '(n,n3He)',
                  35: '(n,nd2a)', 36: '(n,nt2a)', 37: '(n,4n)', 38: '(n,3nf)',
                  41: '(n,2np)', 42: '(n,3np)', 44: '(n,n2p)', 45: '(n,npa)',
diff --git a/src/reaction.cpp b/src/reaction.cpp
index 0643cb08b..3bdc83746 100644
--- a/src/reaction.cpp
+++ b/src/reaction.cpp
@@ -175,6 +175,7 @@ std::unordered_map<int, std::string> REACTION_NAME_MAP {
   // Normal ENDF-based reactions
   {TOTAL_XS, "(n,total)"},
   {ELASTIC, "(n,elastic)"},
+  {N_NONELASTIC, "(n,nonelastic)"},
   {N_LEVEL, "(n,level)"},
   {N_2ND, "(n,2nd)"},
   {N_2N, "(n,2n)"},

From 11587786e06641851a2c28a6b753105b02575541 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Sat, 15 Feb 2025 05:58:30 +0100
Subject: [PATCH 2240/2654] removed old command line scripts (#3300)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 docs/source/_images/plotmeshtally.png       | Bin 72643 -> 0 bytes
 docs/source/io_formats/plots.rst            |  14 +-
 docs/source/usersguide/plots.rst            |  10 +-
 docs/source/usersguide/processing.rst       |  11 +-
 docs/source/usersguide/scripts.rst          | 139 --------
 docs/source/usersguide/settings.rst         |   7 +-
 pyproject.toml                              |  11 +-
 scripts/openmc-ace-to-hdf5                  | 156 ---------
 scripts/openmc-plot-mesh-tally              | 344 --------------------
 scripts/openmc-track-combine                |  24 --
 scripts/openmc-track-to-vtk                 |  41 ---
 scripts/openmc-update-inputs                | 307 -----------------
 scripts/openmc-update-mgxs                  | 212 ------------
 scripts/openmc-voxel-to-vtk                 |  22 --
 tests/regression_tests/track_output/test.py |   5 +-
 tests/testing_harness.py                    |   4 +-
 16 files changed, 23 insertions(+), 1284 deletions(-)
 delete mode 100644 docs/source/_images/plotmeshtally.png
 delete mode 100755 scripts/openmc-ace-to-hdf5
 delete mode 100755 scripts/openmc-plot-mesh-tally
 delete mode 100755 scripts/openmc-track-combine
 delete mode 100755 scripts/openmc-track-to-vtk
 delete mode 100755 scripts/openmc-update-inputs
 delete mode 100755 scripts/openmc-update-mgxs
 delete mode 100755 scripts/openmc-voxel-to-vtk

diff --git a/docs/source/_images/plotmeshtally.png b/docs/source/_images/plotmeshtally.png
deleted file mode 100644
index d874b4906ab84bcf11617f116a4ecd7360aa2ce2..0000000000000000000000000000000000000000
GIT binary patch
literal 0
HcmV?d00001

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diff --git a/docs/source/io_formats/plots.rst b/docs/source/io_formats/plots.rst
index 04d5720c8..c1fa78330 100644
--- a/docs/source/io_formats/plots.rst
+++ b/docs/source/io_formats/plots.rst
@@ -71,9 +71,9 @@ sub-elements:
     the PNG file format. The "voxel" plot type produces a binary datafile
     containing voxel grid positioning and the cell or material (specified by the
     ``color`` tag) at the center of each voxel. Voxel plot files can be
-    processed into VTK files using the :ref:`scripts_voxel` script provided with
-    OpenMC and subsequently viewed with a 3D viewer such as VISIT or Paraview.
-    See the :ref:`io_voxel` for information about the datafile structure.
+    processed into VTK files using the :func:`openmc.voxel_to_vtk` function and
+    subsequently viewed with a 3D viewer such as VISIT or Paraview. See the
+    :ref:`io_voxel` for information about the datafile structure.
 
     .. note:: High-resolution voxel files produced by OpenMC can be quite large,
               but the equivalent VTK files will be significantly smaller.
@@ -152,17 +152,17 @@ attributes or sub-elements.  These are not used in "voxel" plots:
     *Default*: 255 255 255 (white)
 
   :show_overlaps:
-    Indicates whether overlapping regions of different cells are shown. 
+    Indicates whether overlapping regions of different cells are shown.
 
     *Default*: None
 
   :overlap_color:
-    Specifies the RGB color of overlapping regions of different cells. Does not 
-    do anything if ``show_overlaps`` is "false" or not specified. Should be 3 
+    Specifies the RGB color of overlapping regions of different cells. Does not
+    do anything if ``show_overlaps`` is "false" or not specified. Should be 3
     integers separated by spaces.
 
     *Default*: 255 0 0 (red)
-  
+
   :meshlines:
     The ``meshlines`` sub-element allows for plotting the boundaries of a
     regular mesh on top of a plot. Only one ``meshlines`` element is allowed per
diff --git a/docs/source/usersguide/plots.rst b/docs/source/usersguide/plots.rst
index 2d588519c..d453ea453 100644
--- a/docs/source/usersguide/plots.rst
+++ b/docs/source/usersguide/plots.rst
@@ -111,11 +111,11 @@ The voxel plot data is written to an :ref:`HDF5 file <io_voxel>`. The voxel file
 can subsequently be converted into a standard mesh format that can be viewed in
 `ParaView <https://www.paraview.org/>`_, `VisIt
 <https://wci.llnl.gov/simulation/computer-codes/visit>`_, etc. This typically
-will compress the size of the file significantly. The provided
-:ref:`scripts_voxel` script can convert the HDF5 voxel file to VTK formats. Once
-processed into a standard 3D file format, colors and masks can be defined using
-the stored ID numbers to better explore the geometry. The process for doing this
-will depend on the 3D viewer, but should be straightforward.
+will compress the size of the file significantly. The
+:func:`openmc.voxel_to_vtk` function can convert the HDF5 voxel file to VTK
+formats. Once processed into a standard 3D file format, colors and masks can be
+defined using the stored ID numbers to better explore the geometry. The process
+for doing this will depend on the 3D viewer, but should be straightforward.
 
 .. note:: 3D voxel plotting can be very computer intensive for the viewing
           program (Visit, ParaView, etc.) if the number of voxels is large (>10
diff --git a/docs/source/usersguide/processing.rst b/docs/source/usersguide/processing.rst
index 3103b7b7c..10944b5e2 100644
--- a/docs/source/usersguide/processing.rst
+++ b/docs/source/usersguide/processing.rst
@@ -41,12 +41,9 @@ Plotting in 2D
 --------------
 
 The `example notebook`_ also demonstrates how to plot a structured mesh tally in
-two dimensions using the Python API. One can also use the :ref:`scripts_plot`
-script which provides an interactive GUI to explore and plot structured mesh
-tallies for any scores and filter bins.
-
-.. image:: ../_images/plotmeshtally.png
-   :width: 400px
+two dimensions using the Python API. One can also use the `openmc-plotter
+<https://github.com/openmc-dev/plotter/>`_ application that provides an
+interactive GUI to explore and plot a much wider variety of tallies.
 
 .. _usersguide_track:
 
@@ -81,7 +78,7 @@ of three, e.g., if we wanted particles 3 and 4 from batch 1 and generation 2::
 After running OpenMC, the working directory will contain a file of the form
 "track_(batch #)_(generation #)_(particle #).h5" for each particle tracked.
 These track files can be converted into VTK poly data files with the
-:ref:`scripts_track` script.
+:class:`openmc.Tracks` class.
 
 ----------------------
 Source Site Processing
diff --git a/docs/source/usersguide/scripts.rst b/docs/source/usersguide/scripts.rst
index 78ee6f775..0879d63ef 100644
--- a/docs/source/usersguide/scripts.rst
+++ b/docs/source/usersguide/scripts.rst
@@ -53,142 +53,3 @@ flags:
 
 .. note:: If you're using the Python API, :func:`openmc.run` is equivalent to
           running ``openmc`` from the command line.
-
-.. _scripts_ace:
-
-----------------------
-``openmc-ace-to-hdf5``
-----------------------
-
-This script can be used to create HDF5 nuclear data libraries used by OpenMC if
-you have existing ACE files. There are four different ways you can specify ACE
-libraries that are to be converted:
-
-1. List each ACE library as a positional argument. This is very useful in
-   conjunction with the usual shell utilities (``ls``, ``find``, etc.).
-2. Use the ``--xml`` option to specify a pre-v0.9 cross_sections.xml file.
-3. Use the ``--xsdir`` option to specify a MCNP xsdir file.
-4. Use the ``--xsdata`` option to specify a Serpent xsdata file.
-
-The script does not use any extra information from cross_sections.xml/ xsdir/
-xsdata files to determine whether the nuclide is metastable. Instead, the
-``--metastable`` argument can be used to specify whether the ZAID naming convention
-follows the NNDC data convention (1000*Z + A + 300 + 100*m), or the MCNP data
-convention (essentially the same as NNDC, except that the first metastable state
-of Am242 is 95242 and the ground state is 95642).
-
-The optional ``--fission_energy_release`` argument will accept an HDF5 file
-containing a library of fission energy release (ENDF MF=1 MT=458) data. A
-library built from ENDF/B-VII.1 data is released with OpenMC and can be found at
-openmc/data/fission_Q_data_endb71.h5. This data is necessary for
-'fission-q-prompt' and 'fission-q-recoverable' tallies, but is not needed
-otherwise.
-
--h, --help            show help message and exit
-
--d DESTINATION, --destination DESTINATION
-                      Directory to create new library in
-
--m META, --metastable META
-                      How to interpret ZAIDs for metastable nuclides. META
-                      can be either 'nndc' or 'mcnp'. (default: nndc)
-
---xml XML             Old-style cross_sections.xml that lists ACE libraries
-
---xsdir XSDIR         MCNP xsdir file that lists ACE libraries
-
---xsdata XSDATA       Serpent xsdata file that lists ACE libraries
-
---fission_energy_release FISSION_ENERGY_RELEASE
-                      HDF5 file containing fission energy release data
-
-.. _scripts_plot:
-
---------------------------
-``openmc-plot-mesh-tally``
---------------------------
-
-``openmc-plot-mesh-tally`` provides a graphical user interface for plotting mesh
-tallies. The path to the statepoint file can be provided as an optional arugment
-(if omitted, a file dialog will be presented).
-
-.. _scripts_track_combine:
-
-------------------------
-``openmc-track-combine``
-------------------------
-
-This script combines multiple HDF5 :ref:`particle track files
-<usersguide_track>` into a single HDF5 particle track file. The filenames of the
-particle track files should be given as posititional arguments. The output
-filename can also be changed with the ``-o`` flag:
-
--o OUT, --out OUT    Output HDF5 particle track file
-
-.. _scripts_track:
-
------------------------
-``openmc-track-to-vtk``
------------------------
-
-This script converts HDF5 :ref:`particle track files <usersguide_track>` to VTK
-poly data that can be viewed with ParaView or VisIt. The filenames of the
-particle track files should be given as posititional arguments. The output
-filename can also be changed with the ``-o`` flag:
-
--o OUT, --out OUT    Output VTK poly filename
-
-------------------------
-``openmc-update-inputs``
-------------------------
-
-If you have existing XML files that worked in a previous version of OpenMC that
-no longer work with the current version, you can try to update these files using
-``openmc-update-inputs``. If any of the given files do not match the most
-up-to-date formatting, then they will be automatically rewritten.  The old
-out-of-date files will not be deleted; they will be moved to a new file with
-'.original' appended to their name.
-
-Formatting changes that will be made:
-
-geometry.xml
-  Lattices containing 'outside' attributes/tags will be replaced with lattices
-  containing 'outer' attributes, and the appropriate cells/universes will be
-  added. Any 'surfaces' attributes/elements on a cell will be renamed 'region'.
-
-materials.xml
-  Nuclide names will be changed from ACE aliases (e.g., Am-242m) to HDF5/GNDS
-  names (e.g., Am242_m1). Thermal scattering table names will be changed from
-  ACE aliases (e.g., HH2O) to HDF5/GNDS names (e.g., c_H_in_H2O).
-
-----------------------
-``openmc-update-mgxs``
-----------------------
-
-This script updates OpenMC's deprecated multi-group cross section XML files to
-the latest HDF5-based format.
-
--i IN, --input IN    Input XML file
--o OUT, --output OUT  Output file in HDF5 format
-
-.. _scripts_voxel:
-
----------------------------
-``openmc-voxel-to-vtk``
----------------------------
-
-When OpenMC generates :ref:`voxel plots <usersguide_voxel>`, they are in an
-:ref:`HDF5 format <io_voxel>` that is not terribly useful by itself. The
-``openmc-voxel-to-vtk`` script converts a voxel HDF5 file to a `VTK
-<https://vtk.org/>`_ file. To run this script, you will need to have the VTK
-Python bindings installed. To convert a voxel file, simply provide the path to
-the file:
-
-.. code-block:: sh
-
-   openmc-voxel-to-vtk voxel_1.h5
-
-The ``openmc-voxel-to-vtk`` script also takes the following optional
-command-line arguments:
-
--o, --output   Path to output VTK file
diff --git a/docs/source/usersguide/settings.rst b/docs/source/usersguide/settings.rst
index ca11d6487..1b2d4bc1a 100644
--- a/docs/source/usersguide/settings.rst
+++ b/docs/source/usersguide/settings.rst
@@ -751,11 +751,10 @@ instance, whereas the :meth:`openmc.Track.filter` method returns a new
           with more than one process, a separate track file will be written for
           each MPI process with the filename ``tracks_p#.h5`` where # is the
           rank of the corresponding process. Multiple track files can be
-          combined with the :ref:`scripts_track_combine` script:
+          combined with the :meth:`openmc.Tracks.combine` method::
 
-          .. code-block:: sh
-
-            openmc-track-combine tracks_p*.h5 --out tracks.h5
+            track_files = [f"tracks_p{rank}.h5" for rank in range(32)]
+            openmc.Tracks.combine(track_files, "tracks.h5")
 
 -----------------------
 Restarting a Simulation
diff --git a/pyproject.toml b/pyproject.toml
index e4e8472f1..1f8de10e3 100644
--- a/pyproject.toml
+++ b/pyproject.toml
@@ -59,19 +59,10 @@ Repository = "https://github.com/openmc-dev/openmc"
 Issues = "https://github.com/openmc-dev/openmc/issues"
 
 [tool.setuptools.packages.find]
-include = ['openmc*', 'scripts*']
+include = ['openmc*']
 exclude = ['tests*']
 
 [tool.setuptools.package-data]
 "openmc.data.effective_dose" = ["**/*.txt"]
 "openmc.data" = ["*.txt", "*.DAT", "*.json", "*.h5"]
 "openmc.lib" = ["libopenmc.dylib", "libopenmc.so"]
-
-[project.scripts]
-openmc-ace-to-hdf5 = "scripts.openmc_ace_to_hdf5:main"
-openmc-plot-mesh-tally = "scripts.openmc_plot_mesh_tally:main"
-openmc-track-combine = "scripts.openmc_track_combine:main"
-openmc-track-to-vtk = "scripts.openmc_track_to_vtk:main"
-openmc-update-inputs = "scripts.openmc_update_inputs:main"
-openmc-update-mgxs = "scripts.openmc_update_mgxs:main"
-openmc-voxel-to-vtk = "scripts.openmc_voxel_to_vtk:main"
diff --git a/scripts/openmc-ace-to-hdf5 b/scripts/openmc-ace-to-hdf5
deleted file mode 100755
index 66ae7e2a9..000000000
--- a/scripts/openmc-ace-to-hdf5
+++ /dev/null
@@ -1,156 +0,0 @@
-#!/usr/bin/env python3
-
-"""This script can be used to create HDF5 nuclear data libraries used by
-OpenMC. There are four different ways you can specify ACE libraries that are to
-be converted:
-
-1. List each ACE library as a positional argument. This is very useful in
-   conjunction with the usual shell utilities (ls, find, etc.).
-2. Use the --xsdir option to specify a MCNP xsdir file.
-3. Use the --xsdata option to specify a Serpent xsdata file.
-
-The script does not use any extra information from xsdir/xsdata files to
-determine whether the nuclide is metastable. Instead, the --metastable argument
-can be used to specify whether the ZAID naming convention follows the NNDC data
-convention (1000*Z + A + 300 + 100*m), or the MCNP data convention (essentially
-the same as NNDC, except that the first metastable state of Am242 is 95242 and
-the ground state is 95642).
-
-"""
-
-import argparse
-from functools import partial
-import os
-from pathlib import Path
-import warnings
-
-import openmc.data
-from openmc.data.ace import TableType
-
-
-def ace_to_hdf5(destination, xsdir, xsdata, libraries, metastable, libver):
-
-    if not destination.is_dir():
-        destination.mkdir(parents=True, exist_ok=True)
-
-    ace_libraries = []
-    if xsdir is not None:
-        ace_libraries.extend(openmc.data.ace.get_libraries_from_xsdir(xsdir))
-    elif xsdata is not None:
-        ace_libraries.extend(openmc.data.ace.get_libraries_from_xsdata(xsdata))
-    else:
-        ace_libraries = [Path(lib) for lib in libraries]
-
-    converted = {}
-    library = openmc.data.DataLibrary()
-
-    for path in ace_libraries:
-        # Check that ACE library exists
-        if not os.path.exists(path):
-            warnings.warn(f"ACE library '{path}' does not exist.")
-            continue
-
-        lib = openmc.data.ace.Library(path)
-        for table in lib.tables:
-            # Check type of the ACE table and determine appropriate class /
-            # conversion function
-            if table.data_type == TableType.NEUTRON_CONTINUOUS:
-                name = table.zaid
-                cls = openmc.data.IncidentNeutron
-                converter = partial(cls.from_ace, metastable_scheme=metastable)
-            elif table.data_type == TableType.THERMAL_SCATTERING:
-                # Adjust name to be the new thermal scattering name
-                name = openmc.data.get_thermal_name(table.zaid)
-                cls = openmc.data.ThermalScattering
-                converter = cls.from_ace
-            else:
-                print(f"Can't convert ACE table {table.name}")
-                continue
-
-            if name not in converted:
-                try:
-                    data = converter(table)
-                except Exception as e:
-                    print(f"Failed to convert {table.name}: {e}")
-                    continue
-
-                print(f"Converting {table.name} (ACE) to {data.name} (HDF5)")
-
-                # Determine output filename
-                outfile = destination / (data.name.replace(".", "_") + ".h5")
-                data.export_to_hdf5(outfile, "w", libver=libver)
-
-                # Register with library
-                library.register_file(outfile)
-
-                # Add nuclide to list
-                converted[name] = outfile
-            else:
-                # Read existing HDF5 file
-                data = cls.from_hdf5(converted[name])
-
-                # Add data for new temperature
-                try:
-                    print(f"Converting {table.name} (ACE) to {data.name} (HDF5)")
-                    if table.data_type == TableType.NEUTRON_CONTINUOUS:
-                        data.add_temperature_from_ace(table, metastable)
-                    else:
-                        data.add_temperature_from_ace(table)
-                except Exception as e:
-                    print(f"Failed to convert {table.name}: {e}")
-                    continue
-
-                # Re-export
-                data.export_to_hdf5(converted[name], "w", libver=libver)
-
-    # Write cross_sections.xml
-    library.export_to_xml(destination / "cross_sections.xml")
-
-
-if __name__ == "__main__":
-
-    class CustomFormatter(
-        argparse.ArgumentDefaultsHelpFormatter, argparse.RawDescriptionHelpFormatter
-    ):
-        pass
-
-    parser = argparse.ArgumentParser(
-        description=__doc__, formatter_class=CustomFormatter
-    )
-    parser.add_argument("libraries", nargs="*", help="ACE libraries to convert to HDF5")
-    parser.add_argument(
-        "-d",
-        "--destination",
-        type=Path,
-        default=Path.cwd(),
-        help="Directory to create new library in",
-    )
-    parser.add_argument(
-        "-m",
-        "--metastable",
-        choices=["mcnp", "nndc"],
-        default="nndc",
-        help="How to interpret ZAIDs for metastable nuclides",
-    )
-    parser.add_argument("--xsdir", help="MCNP xsdir file that lists " "ACE libraries")
-    parser.add_argument(
-        "--xsdata", help="Serpent xsdata file that lists " "ACE libraries"
-    )
-    parser.add_argument(
-        "--libver",
-        choices=["earliest", "latest"],
-        default="earliest",
-        help="Output HDF5 versioning. Use "
-        "'earliest' for backwards compatibility or 'latest' "
-        "for performance",
-    )
-    args = parser.parse_args()
-
-    ace_to_hdf5(
-        destination=args.destination,
-        xsdir=args.xsdir,
-        xsdata=args.xsdata,
-        libraries=args.libraries,
-        metastable=args.metastable,
-        libver=args.libver,
-    )
diff --git a/scripts/openmc-plot-mesh-tally b/scripts/openmc-plot-mesh-tally
deleted file mode 100755
index 2a4fcd743..000000000
--- a/scripts/openmc-plot-mesh-tally
+++ /dev/null
@@ -1,344 +0,0 @@
-#!/usr/bin/env python3
-
-"""Python script to plot tally data generated by OpenMC."""
-
-
-import os
-import sys
-import argparse
-import tkinter as tk
-import tkinter.filedialog as filedialog
-import tkinter.font as font
-import tkinter.messagebox as messagebox
-import tkinter.ttk as ttk
-
-import matplotlib
-matplotlib.use("TkAgg")
-from matplotlib.backends.backend_tkagg import FigureCanvasTkAgg
-from matplotlib.backends.backend_tkagg import NavigationToolbar2Tk
-from matplotlib.figure import Figure
-import matplotlib.pyplot as plt
-import numpy as np
-
-from openmc import StatePoint, MeshFilter, UnstructuredMesh
-
-_COMBOBOX_SELECTED = '<<ComboboxSelected>>'
-
-
-def mesh_filter_check(filter):
-    """
-    Check that the filter is a usable mesh filter
-    """
-    return isinstance(filter, MeshFilter) and not isinstance(filter.mesh, UnstructuredMesh)
-
-
-class MeshPlotter(tk.Frame):
-    def __init__(self, parent, filename):
-        super().__init__(parent)
-
-        self.labels = {
-            'Cell': 'Cell:',
-            'Cellborn': 'Cell born:',
-            'Surface': 'Surface:',
-            'Material': 'Material:',
-            'Universe': 'Universe:',
-            'Energy': 'Energy in:',
-            'Energyout': 'Energy out:'
-        }
-
-        self.filterBoxes = {}
-
-        # Read data from source or leakage fraction file
-        self.get_file_data(filename)
-
-        # Set up top-level window
-        top = self.winfo_toplevel()
-        top.title('Mesh Tally Plotter: ' + filename)
-        top.rowconfigure(0, weight=1)
-        top.columnconfigure(0, weight=1)
-        self.grid(sticky=tk.W+tk.N)
-
-        # Create widgets and draw to screen
-        self.create_widgets()
-        self.update()
-
-    def create_widgets(self):
-        figureFrame = tk.Frame(self)
-        figureFrame.grid(row=0, column=0)
-
-        # Create the Figure and Canvas
-        self.dpi = 100
-        self.fig = Figure((5.0, 5.0), dpi=self.dpi)
-        self.canvas = FigureCanvasTkAgg(self.fig, master=figureFrame)
-        self.canvas.get_tk_widget().pack(side=tk.TOP, fill=tk.BOTH, expand=1)
-
-        # Create the navigation toolbar, tied to the canvas
-        self.mpl_toolbar = NavigationToolbar2Tk(self.canvas, figureFrame)
-        self.mpl_toolbar.update()
-        self.canvas._tkcanvas.pack(side=tk.TOP, fill=tk.BOTH, expand=1)
-
-        # Create frame for comboboxes
-        self.selectFrame = tk.Frame(self)
-        self.selectFrame.grid(row=1, column=0, sticky=tk.W+tk.E)
-
-        # Tally selection
-        labelTally = tk.Label(self.selectFrame, text='Tally:')
-        labelTally.grid(row=0, column=0, sticky=tk.W)
-        self.tallyBox = ttk.Combobox(self.selectFrame, state='readonly')
-        self.tallyBox['values'] = [self.datafile.tallies[i].id
-                                   for i in self.meshTallies]
-        self.tallyBox.current(0)
-        self.tallyBox.grid(row=0, column=1, sticky=tk.W+tk.E)
-        self.tallyBox.bind(_COMBOBOX_SELECTED, self.update)
-
-        # Planar basis selection
-        labelBasis = tk.Label(self.selectFrame, text='Basis:')
-        labelBasis.grid(row=1, column=0, sticky=tk.W)
-        self.basisBox = ttk.Combobox(self.selectFrame, state='readonly')
-        self.basisBox['values'] = ('xy', 'yz', 'xz')
-        self.basisBox.current(0)
-        self.basisBox.grid(row=1, column=1, sticky=tk.W+tk.E)
-        self.basisBox.bind(_COMBOBOX_SELECTED, self.update)
-
-        # Axial level
-        labelAxial = tk.Label(self.selectFrame, text='Axial level:')
-        labelAxial.grid(row=2, column=0, sticky=tk.W)
-        self.axialBox = ttk.Combobox(self.selectFrame, state='readonly')
-        self.axialBox.grid(row=2, column=1, sticky=tk.W+tk.E)
-        self.axialBox.bind(_COMBOBOX_SELECTED, self.redraw)
-
-        # Option for mean/uncertainty
-        labelMean = tk.Label(self.selectFrame, text='Mean/Uncertainty:')
-        labelMean.grid(row=3, column=0, sticky=tk.W)
-        self.meanBox = ttk.Combobox(self.selectFrame, state='readonly')
-        self.meanBox['values'] = ('Mean', 'Absolute uncertainty',
-                                  'Relative uncertainty')
-        self.meanBox.current(0)
-        self.meanBox.grid(row=3, column=1, sticky=tk.W+tk.E)
-        self.meanBox.bind(_COMBOBOX_SELECTED, self.update)
-
-        # Scores
-        labelScore = tk.Label(self.selectFrame, text='Score:')
-        labelScore.grid(row=4, column=0, sticky=tk.W)
-        self.scoreBox = ttk.Combobox(self.selectFrame, state='readonly')
-        self.scoreBox.grid(row=4, column=1, sticky=tk.W+tk.E)
-        self.scoreBox.bind(_COMBOBOX_SELECTED, self.redraw)
-
-        # Filter label
-        boldfont = font.Font(weight='bold')
-        labelFilters = tk.Label(self.selectFrame, text='Filters:',
-                                font=boldfont)
-        labelFilters.grid(row=5, column=0, sticky=tk.W)
-
-    def update(self, event=None):
-        widget = event.widget if event else None
-
-        tally_id = self.meshTallies[self.tallyBox.current()]
-        selectedTally = self.datafile.tallies[tally_id]
-
-        # Get mesh for selected tally
-        self.mesh = selectedTally.find_filter(MeshFilter).mesh
-
-        # Get mesh dimensions
-        if len(self.mesh.dimension) == 2:
-            self.nx, self.ny = self.mesh.dimension
-            self.nz = 1
-        else:
-            self.nx, self.ny, self.nz = self.mesh.dimension
-
-        # Repopulate comboboxes baesd on current basis selection
-        text = self.basisBox.get()
-        if text == 'xy':
-            self.axialBox['values'] = [str(i+1) for i in range(self.nz)]
-        elif text == 'yz':
-            self.axialBox['values'] = [str(i+1) for i in range(self.nx)]
-        else:
-            self.axialBox['values'] = [str(i+1) for i in range(self.ny)]
-        self.axialBox.current(0)
-
-        # If update() was called by a change in the basis combobox, we don't
-        # need to repopulate the filters
-        if widget == self.basisBox:
-            self.redraw()
-            return
-
-        # Update scores
-        self.scoreBox['values'] = selectedTally.scores
-        self.scoreBox.current(0)
-
-        # Remove any filter labels/comboboxes that exist
-        for row in range(6, self.selectFrame.grid_size()[1]):
-            for w in self.selectFrame.grid_slaves(row=row):
-                w.grid_forget()
-                w.destroy()
-
-        # create a label/combobox for each filter in selected tally
-        count = 0
-        for f in selectedTally.filters:
-            filterType = f.short_name
-            if filterType == 'Mesh':
-                continue
-            count += 1
-
-            # Create label and combobox for this filter
-            label = tk.Label(self.selectFrame, text=self.labels[filterType])
-            label.grid(row=count+6, column=0, sticky=tk.W)
-            combobox = ttk.Combobox(self.selectFrame, state='readonly')
-            self.filterBoxes[filterType] = combobox
-
-            # Set combobox items
-            if filterType in ['Energy', 'Energyout']:
-                combobox['values'] = ['{} to {}'.format(*ebin)
-                                      for ebin in f.bins]
-            else:
-                combobox['values'] = [str(i) for i in f.bins]
-
-            combobox.current(0)
-            combobox.grid(row=count+6, column=1, sticky=tk.W+tk.E)
-            combobox.bind(_COMBOBOX_SELECTED, self.redraw)
-
-        # If There are no filters, leave a 'None available' message
-        if count == 0:
-            count += 1
-            label = tk.Label(self.selectFrame, text="None Available")
-            label.grid(row=count+6, column=0, sticky=tk.W)
-
-        self.redraw()
-
-    def redraw(self, event=None):
-        basis = self.basisBox.current() + 1
-        axial_level = self.axialBox.current() + 1
-        mbvalue = self.meanBox.get()
-
-        # Get selected tally
-        tally_id = self.meshTallies[self.tallyBox.current()]
-        selectedTally = self.datafile.tallies[tally_id]
-
-        # Create spec_list
-        spec_list = []
-        for f in selectedTally.filters:
-            if f.short_name == 'Mesh':
-                mesh_filter = f
-                continue
-            elif f.short_name in ['Energy', 'Energyout']:
-                index = self.filterBoxes[f.short_name].current()
-                ebin = f.bins[index]
-                spec_list.append((type(f), (ebin,)))
-            else:
-                index = self.filterBoxes[f.short_name].current()
-                spec_list.append((type(f), (index,)))
-
-        dims = (self.nx, self.ny, self.nz)
-
-        text = self.basisBox.get()
-        if text == 'xy':
-            h_ind = 0
-            v_ind = 1
-        elif text == 'yz':
-            h_ind = 1
-            v_ind = 2
-        else:
-            h_ind = 0
-            v_ind = 2
-
-        axial_ind = 3 - (h_ind + v_ind)
-        dims = (dims[h_ind], dims[v_ind])
-
-        mesh_dim = len(self.mesh.dimension)
-        if mesh_dim == 3:
-            mesh_indices = [0,0,0]
-        else:
-            mesh_indices = [0,0]
-
-        matrix = np.zeros(dims)
-        for i in range(dims[0]):
-            for j in range(dims[1]):
-                if mesh_dim == 3:
-                    mesh_indices[h_ind] = i + 1
-                    mesh_indices[v_ind] = j + 1
-                    mesh_indices[axial_ind] = axial_level
-                else:
-                    mesh_indices[0] = i + 1
-                    mesh_indices[1] = j + 1
-                filters, filter_bins = zip(*spec_list + [
-                    (type(mesh_filter), (tuple(mesh_indices),))])
-                mean = selectedTally.get_values(
-                    [self.scoreBox.get()], filters, filter_bins)
-                stdev = selectedTally.get_values(
-                    [self.scoreBox.get()], filters, filter_bins,
-                    value='std_dev')
-                if mbvalue == 'Mean':
-                    matrix[i, j] = mean
-                elif mbvalue == 'Absolute uncertainty':
-                    matrix[i, j] = stdev
-                else:
-                    if mean > 0.:
-                        matrix[i, j] = stdev/mean
-                    else:
-                        matrix[i, j] = 0.
-
-        # Clear the figure
-        self.fig.clear()
-
-        # Make figure, set up color bar
-        self.axes = self.fig.add_subplot(111)
-        cax = self.axes.imshow(matrix.transpose(), vmin=0.0, vmax=matrix.max(),
-                               interpolation='none', origin='lower')
-        self.fig.colorbar(cax)
-
-        self.axes.set_xticks([])
-        self.axes.set_yticks([])
-        self.axes.set_aspect('equal')
-
-        # Draw canvas
-        self.canvas.draw()
-
-    def get_file_data(self, filename):
-        # Create StatePoint object and read in data
-        self.datafile = StatePoint(filename)
-
-        meshes = self.datafile.meshes
-        if any(isinstance(m, UnstructuredMesh) for m in meshes.values()):
-            warn_msg = "Unstructured meshes are present in the" \
-                       " statepoint file but are not currently" \
-                       " supported by this script"
-            messagebox.showwarning("Unstructured Meshes", message=warn_msg)
-
-        # Find which tallies are mesh tallies
-        self.meshTallies = []
-        for itally, tally in self.datafile.tallies.items():
-            if any([mesh_filter_check(f) for f in tally.filters]):
-                self.meshTallies.append(itally)
-
-        if not self.meshTallies:
-            messagebox.showerror("Invalid StatePoint File",
-                                 "File does not contain mesh tallies!")
-            sys.exit(1)
-
-
-if __name__ == '__main__':
-    parser = argparse.ArgumentParser()
-    parser.add_argument('statepoint', nargs='?', help='Statepoint file')
-    args = parser.parse_args()
-
-    # Hide root window
-    root = tk.Tk()
-    root.withdraw()
-
-    # If no filename given as command-line argument, open file dialog
-    if args.statepoint is None:
-        filename = filedialog.askopenfilename(title='Select statepoint file',
-                                              initialdir='.')
-    else:
-        filename = args.statepoint
-
-    if filename:
-        # Check to make sure file exists
-        if not os.path.isfile(filename):
-            messagebox.showerror("File not found",
-                                 "Could not find regular file: " + filename)
-            sys.exit(1)
-
-        app = MeshPlotter(root, filename)
-        root.deiconify()
-        root.mainloop()
diff --git a/scripts/openmc-track-combine b/scripts/openmc-track-combine
deleted file mode 100755
index f69f2151c..000000000
--- a/scripts/openmc-track-combine
+++ /dev/null
@@ -1,24 +0,0 @@
-#!/usr/bin/env python3
-
-"""Combine multiple HDF5 particle track files."""
-
-import argparse
-
-import openmc
-
-
-def main():
-    # Parse command-line arguments
-    parser = argparse.ArgumentParser(
-        description='Combine particle track files into a single .h5 file.')
-    parser.add_argument('input', metavar='IN', nargs='+',
-                        help='Input HDF5 particle track filename(s).')
-    parser.add_argument('-o', '--out', metavar='OUT', default='tracks.h5',
-                        help='Output HDF5 particle track file.')
-
-    args = parser.parse_args()
-    openmc.Tracks.combine(args.input, args.out)
-
-
-if __name__ == '__main__':
-    main()
diff --git a/scripts/openmc-track-to-vtk b/scripts/openmc-track-to-vtk
deleted file mode 100755
index 82439bea7..000000000
--- a/scripts/openmc-track-to-vtk
+++ /dev/null
@@ -1,41 +0,0 @@
-#!/usr/bin/env python3
-
-"""Convert HDF5 particle track to VTK poly data.
-
-"""
-
-import argparse
-
-import openmc
-import vtk
-
-
-def _parse_args():
-    # Create argument parser.
-    parser = argparse.ArgumentParser(
-        description='Convert particle track file(s) to a .pvtp file.')
-    parser.add_argument('input', metavar='IN', type=str,
-                        help='Input particle track data filename.')
-    parser.add_argument('-o', '--out', metavar='OUT', type=str, dest='out',
-                        help='Output VTK poly data filename.')
-
-    # Parse and return commandline arguments.
-    return parser.parse_args()
-
-
-def main():
-    # Parse commandline arguments.
-    args = _parse_args()
-
-    # Make sure that the output filename ends with '.pvtp'.
-    if not args.out:
-        args.out = 'tracks.pvtp'
-    elif not args.out.endswith('.pvtp'):
-        args.out += '.pvtp'
-
-    # Write coordinate values to points array.
-    track_file = openmc.Tracks(args.input)
-    track_file.write_to_vtk(args.out)
-
-if __name__ == '__main__':
-    main()
diff --git a/scripts/openmc-update-inputs b/scripts/openmc-update-inputs
deleted file mode 100755
index 5ee1f1ca0..000000000
--- a/scripts/openmc-update-inputs
+++ /dev/null
@@ -1,307 +0,0 @@
-#!/usr/bin/env python3
-"""Update OpenMC's input XML files to the latest format."""
-
-import argparse
-from itertools import chain
-from random import randint
-from shutil import move
-import xml.etree.ElementTree as ET
-
-import openmc.data
-
-
-description = "Update OpenMC's input XML files to the latest format."
-epilog = """\
-If any of the given files do not match the most up-to-date formatting, then they
-will be automatically rewritten.  The old out-of-date files will not be deleted;
-they will be moved to a new file with '.original' appended to their name.
-
-Formatting changes that will be made:
-
-geometry.xml: Lattices containing 'outside' attributes/tags will be replaced
-  with lattices containing 'outer' attributes, and the appropriate
-  cells/universes will be added. Any 'surfaces' attributes/elements on a cell
-  will be renamed 'region'.
-
-materials.xml: Nuclide names will be changed from ACE aliases (e.g., Am-242m) to
-  HDF5/GNDS names (e.g., Am242_m1). Thermal scattering table names will be
-  changed from ACE aliases (e.g., HH2O) to HDF5/GNDS names (e.g., c_H_in_H2O).
-
-"""
-
-
-def parse_args():
-    """Read the input files from the commandline."""
-    # Create argument parser.
-    parser = argparse.ArgumentParser(
-         description=description,
-         epilog=epilog,
-         formatter_class=argparse.RawTextHelpFormatter)
-    parser.add_argument('input', metavar='IN', type=str, nargs='+',
-                        help='Input XML file(s).')
-
-    # Parse and return commandline arguments.
-    return parser.parse_args()
-
-
-def get_universe_ids(geometry_root):
-    """Return a set of universe id numbers."""
-    root = geometry_root
-    out = set()
-
-    # Get the ids of universes defined by cells.
-    for cell in root.iter('cell'):
-        # Get universe attributes/elements
-        if 'universe' in cell.attrib:
-            uid = cell.attrib['universe']
-            out.add(int(uid))
-        elif cell.find('universe') is not None:
-            elem = cell.find('universe')
-            uid = elem.text
-            out.add(int(uid))
-        else:
-            # Default to universe 0
-            out.add(0)
-
-    # Get the ids of universes defined by lattices.
-    for lat in root.iter('lattice'):
-        # Get id attributes.
-        if 'id' in lat.attrib:
-            uid = lat.attrib['id']
-            out.add(int(uid))
-
-        # Get id elements.
-        elif lat.find('id') is not None:
-            elem = lat.find('id')
-            uid = elem.text
-            out.add(int(uid))
-
-    return out
-
-
-def get_cell_ids(geometry_root):
-    """Return a set of cell id numbers."""
-    root = geometry_root
-    out = set()
-
-    # Get the ids of universes defined by cells.
-    for cell in root.iter('cell'):
-        # Get id attributes.
-        if 'id' in cell.attrib:
-            cid = cell.attrib['id']
-            out.add(int(cid))
-
-        # Get id elements.
-        elif cell.find('id') is not None:
-            elem = cell.find('id')
-            cid = elem.text
-            out.add(int(cid))
-
-    return out
-
-
-def find_new_id(current_ids, preferred=None):
-    """Return a new id that is not already present in current_ids."""
-    distance_from_preferred = 21
-    max_random_attempts = 10000
-
-    # First, try to find an id near the preferred number.
-    if preferred is not None:
-        assert isinstance(preferred, int)
-        for i in range(1, distance_from_preferred):
-            if (preferred - i not in current_ids) and (preferred - i > 0):
-                return preferred - i
-            if (preferred + i not in current_ids) and (preferred + i > 0):
-                return preferred + i
-
-    # If that was unsuccessful, attempt to randomly guess a new id number.
-    for i in range(max_random_attempts):
-        num = randint(1, 2147483647)
-        if num not in current_inds:
-            return num
-
-    # Raise an error if an id was not found.
-    raise RuntimeError('Could not find a unique id number for a new universe.')
-
-
-def get_lat_id(lattice_element):
-    """Return the id integer of the lattice_element."""
-    assert isinstance(lattice_element, ET.Element)
-    if 'id' in lattice_element.attrib:
-        return int(lattice_element.attrib['id'].strip())
-    elif any([child.tag == 'id' for child in lattice_element]):
-        elem = lattice_element.find('id')
-        return int(elem.text.strip())
-    else:
-        raise RuntimeError('Could not find the id for a lattice.')
-
-
-def pop_lat_outside(lattice_element):
-    """Return lattice's outside material and remove from attributes/elements."""
-    assert isinstance(lattice_element, ET.Element)
-
-    # Check attributes.
-    if 'outside' in lattice_element.attrib:
-        material = lattice_element.attrib['outside'].strip()
-        del lattice_element.attrib['outside']
-
-    # Check subelements.
-    elif any([child.tag == 'outside' for child in lattice_element]):
-        elem = lattice_element.find('outside')
-        material = elem.text.strip()
-        lattice_element.remove(elem)
-
-    # No 'outside' specified.  This means the outside is a void.
-    else:
-        material = 'void'
-
-    return material
-
-
-def update_geometry(geometry_root):
-    """Update the given XML geometry tree. Return True if changes were made."""
-    root = geometry_root
-    was_updated = False
-
-    # Get a set of already-used universe and cell ids.
-    uids = get_universe_ids(root)
-    cids = get_cell_ids(root)
-    taken_ids = uids.union(cids)
-
-    # Replace 'outside' with 'outer' in lattices.
-    for lat in chain(root.iter('lattice'), root.iter('hex_lattice')):
-        # Get the lattice's id.
-        lat_id = get_lat_id(lat)
-
-        # Ignore lattices that have 'outer' specified.
-        if any([child.tag == 'outer' for child in lat]): continue
-        if 'outer' in lat.attrib: continue
-
-        # Pop the 'outside' material.
-        material = pop_lat_outside(lat)
-
-        # Get an id number for a new outer universe.  Ideally, the id should
-        # be close to the lattice's id.
-        new_uid = find_new_id(taken_ids, preferred=lat_id)
-        assert new_uid not in taken_ids
-
-        # Add the new universe filled with the old 'outside' material to the
-        # geometry.
-        new_cell = ET.Element('cell')
-        new_cell.attrib['id'] = str(new_uid)
-        new_cell.attrib['universe'] = str(new_uid)
-        new_cell.attrib['material'] = material
-        root.append(new_cell)
-        taken_ids.add(new_uid)
-
-        # Add the new universe to the lattice's 'outer' attribute.
-        lat.attrib['outer'] = str(new_uid)
-
-        was_updated = True
-
-    for surface in root.findall('surface'):
-        for attribute in ['type', 'coeffs', 'boundary']:
-            if surface.find(attribute) is not None:
-                value = surface.find(attribute).text
-                surface.attrib[attribute] = value
-
-                child_element = surface.find(attribute)
-                surface.remove(child_element)
-                was_updated = True
-
-    # Remove 'type' from lattice definitions.
-    for lat in root.iter('lattice'):
-        elem = lat.find('type')
-        if elem is not None:
-            lat.remove(elem)
-            was_updated = True
-        if 'type' in lat.attrib:
-            del lat.attrib['type']
-            was_updated = True
-
-    # Change 'width' to 'pitch' in lattice definitions.
-    for lat in root.iter('lattice'):
-        elem = lat.find('width')
-        if elem is not None:
-            elem.tag = 'pitch'
-            was_updated = True
-        if 'width' in lat.attrib:
-            lat.attrib['pitch'] = lat.attrib['width']
-            del lat.attrib['width']
-            was_updated = True
-
-    # Change 'surfaces' to 'region' in cell definitions
-    for cell in root.iter('cell'):
-        elem = cell.find('surfaces')
-        if elem is not None:
-            elem.tag = 'region'
-            was_updated = True
-        if 'surfaces' in cell.attrib:
-            cell.attrib['region'] = cell.attrib['surfaces']
-            del cell.attrib['surfaces']
-            was_updated = True
-
-    return was_updated
-
-def update_materials(root):
-    """Update the given XML materials tree. Return True if changes were made."""
-    was_updated = False
-
-    for material in root.findall('material'):
-        for nuclide in material.findall('nuclide'):
-            if 'name' in nuclide.attrib:
-                nucname = nuclide.attrib['name'].replace('-', '')
-                # If a nuclide name is in the ZAID notation (e.g., a number),
-                # convert it to the proper nuclide name.
-                if nucname.strip().isnumeric():
-                    nucname = openmc.data.ace.get_metadata(int(nucname))[0]
-                nucname = nucname.replace('Nat', '0')
-                if nucname.endswith('m'):
-                    nucname = nucname[:-1] + '_m1'
-                nuclide.set('name', nucname)
-                was_updated = True
-
-            elif nuclide.find('name') is not None:
-                name_elem = nuclide.find('name')
-                nucname = name_elem.text
-                nucname = nucname.replace('-', '')
-                nucname = nucname.replace('Nat', '0')
-                if nucname.endswith('m'):
-                    nucname = nucname[:-1] + '_m1'
-                name_elem.text = nucname
-                was_updated = True
-
-        for sab in material.findall('sab'):
-            if 'name' in sab.attrib:
-                sabname = sab.attrib['name']
-                sab.set('name', openmc.data.get_thermal_name(sabname))
-                was_updated = True
-
-            elif sab.find('name') is not None:
-                name_elem = sab.find('name')
-                sabname = name_elem.text
-                name_elem.text = openmc.data.get_thermal_name(sabname)
-                was_updated = True
-
-    return was_updated
-
-
-if __name__ == '__main__':
-    args = parse_args()
-    for fname in args.input:
-        # Parse the XML data.
-        tree = ET.parse(fname)
-        root = tree.getroot()
-        was_updated = False
-
-        if root.tag == 'geometry':
-            was_updated = update_geometry(root)
-        elif root.tag == 'materials':
-            was_updated = update_materials(root)
-
-        if was_updated:
-            # Move the original geometry file to preserve it.
-            move(fname, fname + '.original')
-
-            # Write a new geometry file.
-            tree.write(fname, xml_declaration=True)
\ No newline at end of file
diff --git a/scripts/openmc-update-mgxs b/scripts/openmc-update-mgxs
deleted file mode 100755
index aac6959b7..000000000
--- a/scripts/openmc-update-mgxs
+++ /dev/null
@@ -1,212 +0,0 @@
-#!/usr/bin/env python3
-"""Update OpenMC's deprecated multi-group cross section XML files to the latest
-HDF5-based format.
-
-"""
-
-import os
-import warnings
-import xml.etree.ElementTree as ET
-
-import argparse
-import numpy as np
-
-import openmc.mgxs_library
-
-
-def parse_args():
-    """Read the input files from the commandline."""
-    # Create argument parser
-    parser = argparse.ArgumentParser(description=__doc__,
-                                     formatter_class=argparse.RawTextHelpFormatter)
-    parser.add_argument('-i', '--input', type=argparse.FileType('r'),
-                        help='input XML file')
-    parser.add_argument('-o', '--output', nargs='?', default='',
-                        help='output file, in HDF5 format')
-    args = vars(parser.parse_args())
-
-    if args['output'] == '':
-        filename = args['input'].name
-        extension = os.path.splitext(filename)
-        if extension == '.xml':
-            filename = filename[:filename.rfind('.')] + '.h5'
-        args['output'] = filename
-
-    # Parse and return commandline arguments.
-    return args
-
-
-def get_data(element, entry):
-    value = element.find(entry)
-    if value is not None:
-        value = value.text.strip()
-    elif entry in element.attrib:
-        value = element.attrib[entry].strip()
-    else:
-        value = None
-
-    return value
-
-
-def main():
-    args = parse_args()
-
-    # Parse the XML data.
-    tree = ET.parse(args['input'])
-    root = tree.getroot()
-
-    # Get old metadata
-    group_structure = tree.find('group_structure').text.strip()
-    group_structure = np.array(group_structure.split(), dtype=float)
-    # Convert from MeV to eV
-    group_structure *= 1.e6
-    energy_groups = openmc.mgxs.EnergyGroups(group_structure)
-
-    inverse_velocity = tree.find('inverse-velocity')
-    if inverse_velocity is not None:
-        inverse_velocity = inverse_velocity.text.split()
-        inverse_velocity = np.array(inverse_velocity, dtype=float)
-    else:
-        inverse_velocity = None
-
-    xsd = []
-    names = []
-
-    # Now move on to the cross section data itself
-    for xsdata_elem in root.iter('xsdata'):
-        name = get_data(xsdata_elem, 'name')
-
-        temperature = get_data(xsdata_elem, 'kT')
-        if temperature is not None:
-            temperature = float(temperature) / openmc.data.K_BOLTZMANN * 1.E6
-        else:
-            temperature = 294.
-        temperatures = [temperature]
-
-        awr = get_data(xsdata_elem, 'awr')
-        if awr is not None:
-            awr = float(awr)
-
-        representation = get_data(xsdata_elem, 'representation')
-        if representation is None:
-            representation = 'isotropic'
-        if representation == 'angle':
-            n_azi = int(get_data(xsdata_elem, 'num_azimuthal'))
-            n_pol = int(get_data(xsdata_elem, 'num_polar'))
-
-        scatter_format = get_data(xsdata_elem, 'scatt_type')
-        if scatter_format is None:
-            scatter_format = 'legendre'
-
-        order = int(get_data(xsdata_elem, 'order'))
-
-        tab_leg = get_data(xsdata_elem, 'tabular_legendre')
-        if tab_leg is not None:
-            warnings.warn('The tabular_legendre option has moved to the '
-                          'settings.xml file and must be added manually')
-
-        # Either add the data to a previously existing xsdata (if it is
-        # for the same 'name' but a different temperature), or create a
-        # new one.
-        try:
-            # It is in our list, so store that entry
-            i = names.index(name)
-        except ValueError:
-            # It is not in our list, so add it
-            i = -1
-            xsd.append(openmc.XSdata(name, energy_groups,
-                                     temperatures=temperatures,
-                                     representation=representation))
-            if awr is not None:
-                xsd[-1].atomic_weight_ratio = awr
-            if representation == 'angle':
-                xsd[-1].num_azimuthal = n_azi
-                xsd[-1].num_polar = n_pol
-            xsd[-1].scatter_format = scatter_format
-            xsd[-1].order = order
-            names.append(name)
-
-        if scatter_format == 'legendre':
-            order_dim = order + 1
-        else:
-            order_dim = order
-
-        if i != -1:
-            xsd[i].add_temperature(temperature)
-
-        total = get_data(xsdata_elem, 'total')
-        if total is not None:
-            total = np.array(total.split(), dtype=float)
-            total.shape = xsd[i].xs_shapes['[G]']
-            xsd[i].set_total(total, temperature)
-
-        if inverse_velocity is not None:
-            xsd[i].set_inverse_velocity(inverse_velocity, temperature)
-
-        absorption = get_data(xsdata_elem, 'absorption')
-        absorption = np.array(absorption.split(), dtype=float)
-        absorption.shape = xsd[i].xs_shapes['[G]']
-        xsd[i].set_absorption(absorption, temperature)
-
-        scatter = get_data(xsdata_elem, 'scatter')
-        scatter = np.array(scatter.split(), dtype=float)
-        # This is now a flattened-array of something that started with a
-        # shape of [Order][G][G']; we need to unflatten and then switch the
-        # ordering
-        in_shape = (order_dim, energy_groups.num_groups,
-                    energy_groups.num_groups)
-        if representation == 'angle':
-            in_shape = (n_pol, n_azi) + in_shape
-            scatter.shape = in_shape
-            scatter = np.swapaxes(scatter, 2, 3)
-            scatter = np.swapaxes(scatter, 3, 4)
-        else:
-            scatter.shape = in_shape
-            scatter = np.swapaxes(scatter, 0, 1)
-            scatter = np.swapaxes(scatter, 1, 2)
-
-        xsd[i].set_scatter_matrix(scatter, temperature)
-
-        multiplicity = get_data(xsdata_elem, 'multiplicity')
-        if multiplicity is not None:
-            multiplicity = np.array(multiplicity.split(), dtype=float)
-            multiplicity.shape = xsd[i].xs_shapes["[G][G']"]
-            xsd[i].set_multiplicity_matrix(multiplicity, temperature)
-
-        fission = get_data(xsdata_elem, 'fission')
-        if fission is not None:
-            fission = np.array(fission.split(), dtype=float)
-            fission.shape = xsd[i].xs_shapes['[G]']
-            xsd[i].set_fission(fission, temperature)
-
-        kappa_fission = get_data(xsdata_elem, 'kappa_fission')
-        if kappa_fission is not None:
-            kappa_fission = np.array(kappa_fission.split(), dtype=float)
-            kappa_fission.shape = xsd[i].xs_shapes['[G]']
-            xsd[i].set_kappa_fission(kappa_fission, temperature)
-
-        chi = get_data(xsdata_elem, 'chi')
-        if chi is not None:
-            chi = np.array(chi.split(), dtype=float)
-            chi.shape = xsd[i].xs_shapes['[G]']
-            xsd[i].set_chi(chi, temperature)
-        else:
-            chi = None
-
-        nu_fission = get_data(xsdata_elem, 'nu_fission')
-        if nu_fission is not None:
-            nu_fission = np.array(nu_fission.split(), dtype=float)
-            if chi is not None:
-                nu_fission.shape = xsd[i].xs_shapes['[G]']
-            else:
-                nu_fission.shape = xsd[i].xs_shapes["[G][G']"]
-            xsd[i].set_nu_fission(nu_fission, temperature)
-
-    # Build library as we go, but first we have enough to initialize it
-    lib = openmc.MGXSLibrary(energy_groups)
-    lib.add_xsdatas(xsd)
-    lib.export_to_hdf5(args['output'])
-
-
-if __name__ == '__main__':
-    main()
diff --git a/scripts/openmc-voxel-to-vtk b/scripts/openmc-voxel-to-vtk
deleted file mode 100755
index 3f59ffd42..000000000
--- a/scripts/openmc-voxel-to-vtk
+++ /dev/null
@@ -1,22 +0,0 @@
-#!/usr/bin/env python3
-
-from argparse import ArgumentParser
-
-import openmc
-
-
-if __name__ == "__main__":
-    # Process command line arguments
-    parser = ArgumentParser('Converts a voxel HDF5 file to a VTK file')
-    parser.add_argument("voxel_file", help="Path to voxel h5 file")
-    parser.add_argument(
-        "-o",
-        "--output",
-        action="store",
-        default="plot",
-        help="Path to output VTK file.",
-    )
-    args = parser.parse_args()
-    print("Reading and translating data...")
-    openmc.voxel_to_vtk(args.voxel_file, args.output)
-    print(f"Written VTK file {args.output}...")
diff --git a/tests/regression_tests/track_output/test.py b/tests/regression_tests/track_output/test.py
index 62526117d..299e1aa34 100644
--- a/tests/regression_tests/track_output/test.py
+++ b/tests/regression_tests/track_output/test.py
@@ -1,7 +1,6 @@
 import glob
 import os
 from pathlib import Path
-from subprocess import call
 
 import numpy as np
 import openmc
@@ -26,8 +25,8 @@ class TrackTestHarness(TestHarness):
 
         # For MPI mode, combine track files
         if config['mpi']:
-            call(['../../../scripts/openmc-track-combine', '-o', 'tracks.h5'] +
-                 glob.glob('tracks_p*.h5'))
+            track_files = list(glob.glob('tracks_p*.h5'))
+            openmc.Tracks.combine(track_files, 'tracks.h5')
 
         # Get string of track file information
         outstr = ''
diff --git a/tests/testing_harness.py b/tests/testing_harness.py
index ddae89e02..6de475e6e 100644
--- a/tests/testing_harness.py
+++ b/tests/testing_harness.py
@@ -1,5 +1,4 @@
 from difflib import unified_diff
-from subprocess import check_call
 import filecmp
 import glob
 import h5py
@@ -487,8 +486,7 @@ class PlotTestHarness(TestHarness):
 
         # Check that voxel h5 can be converted to vtk
         for voxel_h5_filename in self._voxel_convert_checks:
-            check_call(['../../../scripts/openmc-voxel-to-vtk'] +
-                       glob.glob(voxel_h5_filename))
+            openmc.voxel_to_vtk(voxel_h5_filename)
 
     def _test_output_created(self):
         """Make sure *.png has been created."""

From a5b26de041003d30ee097e83c5540f72f912bb67 Mon Sep 17 00:00:00 2001
From: Olek <45364492+yardasol@users.noreply.github.com>
Date: Mon, 17 Feb 2025 11:02:51 -0600
Subject: [PATCH 2241/2654] Random ray consistency changes (#3298)

---
 openmc/settings.py                            | 20 +++++++-------
 src/random_ray/flat_source_domain.cpp         | 27 +++++--------------
 .../random_ray_adjoint_k_eff/results_true.dat |  2 +-
 3 files changed, 17 insertions(+), 32 deletions(-)

diff --git a/openmc/settings.py b/openmc/settings.py
index 77598b204..b29393d9a 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -1110,27 +1110,27 @@ class Settings:
         if not isinstance(random_ray, Mapping):
             raise ValueError(f'Unable to set random_ray from "{random_ray}" '
                              'which is not a dict.')
-        for key in random_ray:
+        for key, value in random_ray.items():
             if key == 'distance_active':
-                cv.check_type('active ray length', random_ray[key], Real)
-                cv.check_greater_than('active ray length', random_ray[key], 0.0)
+                cv.check_type('active ray length', value, Real)
+                cv.check_greater_than('active ray length', value, 0.0)
             elif key == 'distance_inactive':
-                cv.check_type('inactive ray length', random_ray[key], Real)
+                cv.check_type('inactive ray length', value, Real)
                 cv.check_greater_than('inactive ray length',
-                                      random_ray[key], 0.0, True)
+                                      value, 0.0, True)
             elif key == 'ray_source':
-                cv.check_type('random ray source', random_ray[key], SourceBase)
+                cv.check_type('random ray source', value, SourceBase)
             elif key == 'volume_estimator':
-                cv.check_value('volume estimator', random_ray[key],
+                cv.check_value('volume estimator', value,
                                ('naive', 'simulation_averaged',
                                 'hybrid'))
             elif key == 'source_shape':
-                cv.check_value('source shape', random_ray[key],
+                cv.check_value('source shape', value,
                                ('flat', 'linear', 'linear_xy'))
             elif key == 'volume_normalized_flux_tallies':
-                cv.check_type('volume normalized flux tallies', random_ray[key], bool)
+                cv.check_type('volume normalized flux tallies', value, bool)
             elif key == 'adjoint':
-                cv.check_type('adjoint', random_ray[key], bool)
+                cv.check_type('adjoint', value, bool)
             else:
                 raise ValueError(f'Unable to set random ray to "{key}" which is '
                                  'unsupported by OpenMC')
diff --git a/src/random_ray/flat_source_domain.cpp b/src/random_ray/flat_source_domain.cpp
index 39a50ace6..098fd17b0 100644
--- a/src/random_ray/flat_source_domain.cpp
+++ b/src/random_ray/flat_source_domain.cpp
@@ -118,7 +118,7 @@ void FlatSourceDomain::update_neutron_source(double k_eff)
 
   double inverse_k_eff = 1.0 / k_eff;
 
-  // Add scattering source
+  // Add scattering + fission source
 #pragma omp parallel for
   for (int64_t sr = 0; sr < n_source_regions_; sr++) {
     int material = source_regions_.material(sr);
@@ -126,35 +126,20 @@ void FlatSourceDomain::update_neutron_source(double k_eff)
     for (int g_out = 0; g_out < negroups_; g_out++) {
       double sigma_t = sigma_t_[material * negroups_ + g_out];
       double scatter_source = 0.0;
+      double fission_source = 0.0;
 
       for (int g_in = 0; g_in < negroups_; g_in++) {
         double scalar_flux = source_regions_.scalar_flux_old(sr, g_in);
         double sigma_s =
           sigma_s_[material * negroups_ * negroups_ + g_out * negroups_ + g_in];
-        scatter_source += sigma_s * scalar_flux;
-      }
-
-      source_regions_.source(sr, g_out) = scatter_source / sigma_t;
-    }
-  }
-
-  // Add fission source
-#pragma omp parallel for
-  for (int64_t sr = 0; sr < n_source_regions_; sr++) {
-    int material = source_regions_.material(sr);
-
-    for (int g_out = 0; g_out < negroups_; g_out++) {
-      double sigma_t = sigma_t_[material * negroups_ + g_out];
-      double fission_source = 0.0;
-
-      for (int g_in = 0; g_in < negroups_; g_in++) {
-        double scalar_flux = source_regions_.scalar_flux_old(sr, g_in);
         double nu_sigma_f = nu_sigma_f_[material * negroups_ + g_in];
         double chi = chi_[material * negroups_ + g_out];
+
+        scatter_source += sigma_s * scalar_flux;
         fission_source += nu_sigma_f * scalar_flux * chi;
       }
-      source_regions_.source(sr, g_out) +=
-        fission_source * inverse_k_eff / sigma_t;
+      source_regions_.source(sr, g_out) =
+        (scatter_source + fission_source * inverse_k_eff) / sigma_t;
     }
   }
 
diff --git a/tests/regression_tests/random_ray_adjoint_k_eff/results_true.dat b/tests/regression_tests/random_ray_adjoint_k_eff/results_true.dat
index 1690d46e9..657c841b5 100644
--- a/tests/regression_tests/random_ray_adjoint_k_eff/results_true.dat
+++ b/tests/regression_tests/random_ray_adjoint_k_eff/results_true.dat
@@ -1,5 +1,5 @@
 k-combined:
-1.006640E+00 1.812967E-03
+1.006640E+00 1.812969E-03
 tally 1:
 6.684129E+00
 8.939821E+00

From 81b7388624f70a54b7d0555acde9045c6f6b9935 Mon Sep 17 00:00:00 2001
From: Gavin Ridley <gavin.keith.ridley@gmail.com>
Date: Mon, 17 Feb 2025 21:11:54 -0600
Subject: [PATCH 2242/2654] Raytrace plots (#2655)

Co-authored-by: Patrick Shriwise <pshriwise@gmail.com>
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 docs/source/_images/phong_triso.png           | Bin 0 -> 170621 bytes
 docs/source/io_formats/plots.rst              | 110 ++-
 docs/source/pythonapi/base.rst                |   3 +-
 docs/source/releasenotes/0.14.0.rst           |   2 +-
 docs/source/usersguide/plots.rst              | 136 +++-
 include/openmc/cell.h                         |   2 +-
 include/openmc/dagmc.h                        |   3 +-
 include/openmc/particle.h                     |   4 -
 include/openmc/particle_data.h                |  14 +-
 include/openmc/plot.h                         | 267 ++++++-
 include/openmc/position.h                     |  20 +-
 include/openmc/surface.h                      |   2 +-
 openmc/_xml.py                                |   4 +-
 openmc/model/model.py                         |  23 +-
 openmc/plots.py                               | 512 +++++++++----
 src/dagmc.cpp                                 |   9 +-
 src/particle.cpp                              |   7 -
 src/particle_data.cpp                         |  44 +-
 src/plot.cpp                                  | 674 +++++++++++++-----
 src/position.cpp                              |   7 -
 src/surface.cpp                               |   2 +-
 .../plot_projections/plots.xml                |  45 +-
 .../plot_projections/results_true.dat         |   2 +-
 .../regression_tests/plot_projections/test.py |   5 +-
 tests/unit_tests/test_plots.py                |  66 +-
 25 files changed, 1487 insertions(+), 476 deletions(-)
 create mode 100644 docs/source/_images/phong_triso.png

diff --git a/docs/source/_images/phong_triso.png b/docs/source/_images/phong_triso.png
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HcmV?d00001

diff --git a/docs/source/io_formats/plots.rst b/docs/source/io_formats/plots.rst
index c1fa78330..1a42a4281 100644
--- a/docs/source/io_formats/plots.rst
+++ b/docs/source/io_formats/plots.rst
@@ -7,13 +7,18 @@ Geometry Plotting Specification -- plots.xml
 Basic plotting capabilities are available in OpenMC by creating a plots.xml file
 and subsequently running with the ``--plot`` command-line flag. The root element
 of the plots.xml is simply ``<plots>`` and any number output plots can be
-defined with ``<plot>`` sub-elements.  Two plot types are currently implemented
+defined with ``<plot>`` sub-elements.  Four plot types are currently implemented
 in openMC:
 
 * ``slice``  2D pixel plot along one of the major axes. Produces a PNG image
   file.
 * ``voxel``  3D voxel data dump. Produces an HDF5 file containing voxel xyz
   position and cell or material id.
+* ``wireframe_raytrace``  2D pixel plot of a three-dimensional view of a
+  geometry using wireframes around cells or materials and coloring by depth
+  through each material.
+* ``solid_raytrace``  2D pixel plot of a three-dimensional view of a geometry
+  with solid colored surfaces of a set of cells or materials.
 
 
 ------------------
@@ -66,21 +71,22 @@ sub-elements:
     *Default*: None - Required entry
 
   :type:
-    Keyword for type of plot to be produced. Currently only "slice" and "voxel"
-    plots are implemented. The "slice" plot type creates 2D pixel maps saved in
-    the PNG file format. The "voxel" plot type produces a binary datafile
-    containing voxel grid positioning and the cell or material (specified by the
-    ``color`` tag) at the center of each voxel. Voxel plot files can be
-    processed into VTK files using the :func:`openmc.voxel_to_vtk` function and
-    subsequently viewed with a 3D viewer such as VISIT or Paraview. See the
-    :ref:`io_voxel` for information about the datafile structure.
+    Keyword for type of plot to be produced. Currently "slice", "voxel",
+    "wireframe_raytrace", and "solid_raytrace" plots are implemented. The
+    "slice" plot type creates 2D pixel maps saved in the PNG file format. The
+    "voxel" plot type produces a binary datafile containing voxel grid
+    positioning and the cell or material (specified by the ``color`` tag) at the
+    center of each voxel. Voxel plot files can be processed into VTK files using
+    the :func:`openmc.voxel_to_vtk` function and subsequently viewed with a 3D
+    viewer such as VISIT or Paraview. See :ref:`io_voxel` for information about
+    the datafile structure.
 
     .. note:: High-resolution voxel files produced by OpenMC can be quite large,
               but the equivalent VTK files will be significantly smaller.
 
     *Default*: "slice"
 
-``<plot>`` elements of ``type`` "slice" and "voxel" must contain the ``pixels``
+All ``<plot>`` elements must contain the ``pixels``
 attribute or sub-element:
 
   :pixels:
@@ -96,7 +102,7 @@ attribute or sub-element:
                  ``width``/``pixels`` along that basis direction may not appear
                  in the plot.
 
-    *Default*: None - Required entry for "slice" and "voxel" plots
+    *Default*: None - Required entry for all plots
 
 ``<plot>`` elements of ``type`` "slice" can also contain the following
 attributes or sub-elements.  These are not used in "voxel" plots:
@@ -125,6 +131,11 @@ attributes or sub-elements.  These are not used in "voxel" plots:
       Specifies the custom color for the cell or material. Should be 3 integers
       separated by spaces.
 
+    :xs:
+      The attenuation coefficient for volume rendering of color in units of
+      inverse centimeters. Zero corresponds to transparency. Only for plot type
+      "wireframe_raytrace".
+
     As an example, if your plot is colored by material and you want material 23
     to be blue, the corresponding ``color`` element would look like:
 
@@ -191,3 +202,80 @@ attributes or sub-elements.  These are not used in "voxel" plots:
       *Default*: 0 0 0 (black)
 
     *Default*: None
+
+``<plot>`` elements of ``type`` "wireframe_raytrace" or "solid_raytrace" can contain the
+following attributes or sub-elements.
+
+  :camera_position:
+    Location in 3D Cartesian space the camera is at.
+
+
+    *Default*: None - Required for all ``wireframe_raytrace`` or
+    ``solid_raytrace`` plots
+
+  :look_at:
+    Location in 3D Cartesian space the camera is looking at.
+
+
+    *Default*: None - Required for all ``wireframe_raytrace`` or
+    ``solid_raytrace`` plots
+
+  :field_of_view:
+    The horizontal field of view in degrees. Defaults to roughly the same value
+    as for the human eye.
+
+    *Default*: 70
+
+  :orthographic_width:
+    If set to a nonzero value, an orthographic rather than perspective
+    projection for the camera is employed. An orthographic projection puts out
+    parallel rays from the camera of a width prescribed here in the horizontal
+    direction, with the width in the vertical direction decided by the pixel
+    aspect ratio.
+
+    *Default*: 0
+
+``<plot>`` elements of ``type`` "solid_raytrace" can contain the following attributes or
+sub-elements.
+
+  :opaque_ids:
+    List of integer IDs of cells or materials to be treated as visible in the
+    plot. Whether the integers are interpreted as cell or material IDs depends
+    on ``color_by``.
+
+    *Default*: None - Required for all phong plots
+
+  :light_position:
+    Location in 3D Cartesian space of the light.
+
+
+    *Default*: Same location as ``camera_position``
+
+  :diffuse_fraction:
+    Fraction of light originating from non-directional sources. If set to one,
+    the coloring is not influenced by surface curvature, and no shadows appear.
+    If set to zero, only regions illuminated by the light are not black.
+
+
+    *Default*: 0.1
+
+``<plot>`` elements of ``type`` "wireframe_raytrace" can contain the following
+attributes or sub-elements.
+
+  :wireframe_color:
+    RGB value of the wireframe's color
+
+    *Default*: 0, 0, 0 (black)
+
+  :wireframe_thickness:
+    Integer number of pixels that the wireframe takes up. The value is a radius
+    of the wireframe. Setting to zero removes any wireframing.
+
+    *Default*: 0
+
+  :wireframe_ids:
+    Integer IDs of cells or materials of regions to draw wireframes around.
+    Whether the integers are interpreted as cell or material IDs depends on
+    ``color_by``.
+
+    *Default*: None
diff --git a/docs/source/pythonapi/base.rst b/docs/source/pythonapi/base.rst
index 23df02f2e..d6d04444f 100644
--- a/docs/source/pythonapi/base.rst
+++ b/docs/source/pythonapi/base.rst
@@ -165,7 +165,8 @@ Geometry Plotting
    :template: myclass.rst
 
    openmc.Plot
-   openmc.ProjectionPlot
+   openmc.WireframeRayTracePlot
+   openmc.SolidRayTracePlot
    openmc.Plots
 
 Running OpenMC
diff --git a/docs/source/releasenotes/0.14.0.rst b/docs/source/releasenotes/0.14.0.rst
index 445edfa07..f82aa3085 100644
--- a/docs/source/releasenotes/0.14.0.rst
+++ b/docs/source/releasenotes/0.14.0.rst
@@ -52,7 +52,7 @@ Compatibility Notes and Deprecations
 New Features
 ------------
 
-- A new :class:`openmc.ProjectionPlot` class enables the generation of orthographic or
+- A new :class:`openmc.WireframeRayTracePlot` class enables the generation of orthographic or
   perspective projection plots. (`#1926
   <https://github.com/openmc-dev/openmc/pull/1926>`_)
 - The :class:`openmc.model.RightCircularCylinder` class now supports optional
diff --git a/docs/source/usersguide/plots.rst b/docs/source/usersguide/plots.rst
index d453ea453..da0c69bdd 100644
--- a/docs/source/usersguide/plots.rst
+++ b/docs/source/usersguide/plots.rst
@@ -122,27 +122,82 @@ for doing this will depend on the 3D viewer, but should be straightforward.
           million or so).  Thus if you want an accurate picture that renders
           smoothly, consider using only one voxel in a certain direction.
 
-----------------
-Projection Plots
-----------------
+----------------------
+Solid Ray-traced Plots
+----------------------
+
+.. image:: ../_images/phong_triso.png
+   :width: 300px
+
+The :class:`openmc.SolidRayTracePlot` class allows three dimensional
+visualization of detailed geometric features without voxelization. The plot
+above visualizes a geometry created by :class:`openmc.TRISO`, with the materials
+in the fuel kernel distinguished by color. It was enclosed in a bounding box
+such that some kernels are cut off, revealing the inner structure of the kernel.
+
+The `Phong reflection model
+<https://en.wikipedia.org/wiki/Phong_reflection_model>`_ approximates how light
+reflects off of a surface. On a diffusely light-scattering material, the Phong
+model prescribes the amount of light reflected from a surface as proportional to
+the dot product between the normal vector of the surface and the vector between
+that point on the surface and the light. With this assumption, visually
+appealing plots of simulation geometries can be created.
+
+Solid ray-traced plots use the same ray tracing functions that neutrons and
+photons do in OpenMC, so any input that does not leak particles can be
+visualized in 3D using a solid ray-traced plot. That being said, these plots are
+not useful for detecting overlap or undefined regions, so it is recommended to
+use the slice plot approach for geometry debugging.
+
+Only a few inputs are required for a solid ray-traced plot. The camera location,
+where the camera is looking, and a set of opaque material or cell IDs are
+required. The colors of materials or cells are prescribed in the same way as
+slice plots. The set of IDs that are opaque in the plot must correspond to
+materials if coloring by material, or cells if coloring by cell.
+
+A minimal solid ray-traced plot input could be::
+
+  plot = openmc.SolidRayTracePlot()
+  plot.pixels = (600, 600)
+  plot.camera_position = (10.0, 20.0, -30.0)
+  plot.look_at = (4.0, 5.0, 1.0)
+  plot.color_by = 'cell'
+
+  # optional. defaults to camera_position
+  plot.light_position = (10, 20, 30)
+
+  # controls ambient lighting. Defaults to 10%
+  plot.diffuse_fraction = 0.1
+  plot.opaque_domains = [cell2, cell3]
+
+These plots are then stored into a :class:`openmc.Plots` instance, just like the
+slice plots.
+
+---------------
+Wireframe Plots
+---------------
 
 .. only:: html
 
    .. image:: ../_images/hexlat_anim.gif
      :width: 200px
 
-The :class:`openmc.ProjectionPlot` class presents an alternative method of
-producing 3D visualizations of OpenMC geometries. It was developed to overcome
-the primary shortcoming of voxel plots, that an enormous number of voxels must
-be employed to capture detailed geometric features. Projection plots perform
-volume rendering on material or cell volumes, with colors specified in the same
-manner as slice plots. This is done using the native ray tracing capabilities
-within OpenMC, so any geometry in which particles successfully run without
-overlaps or leaks will work with projection plots.
+The :class:`openmc.WireframeRayTracePlot` class also produces 3D visualizations
+of OpenMC geometries without voxelization but is intended to show the inside of
+a model using wireframing of cell or material boundaries in addition to cell
+coloring based on the path length of camera rays through the model. The coloring
+in these plots is a bit like turning the model into partially transparent
+colored glass that can be seen through, without any refractive effects. This is
+called volume rendering. The colors are specified in exactly the same interface
+employed by slice plots.
 
-One drawback of projection plots is that particle tracks cannot be overlaid on
+Similar to solid ray-traced plots, these use the native ray tracing capabilities
+within OpenMC, so any geometry in which particles successfully run without
+overlaps or leaks will work with wireframe plots.
+
+One drawback of wireframe plots is that particle tracks cannot be overlaid on
 them at present. Moreover, checking for overlap regions is not currently
-possible with projection plots. The image heading this section can be created by
+possible with wireframe plots. The image heading this section can be created by
 adding the following code to the hexagonal lattice example packaged with OpenMC,
 before exporting to plots.xml.
 
@@ -152,7 +207,7 @@ before exporting to plots.xml.
   import numpy as np
   for i in range(100):
       phi = 2 * np.pi * i/100
-      thisp = openmc.ProjectionPlot(plot_id = 4 + i)
+      thisp = openmc.WireframeRayTracePlot(plot_id = 4 + i)
       thisp.filename = 'frame%s'%(str(i).zfill(3))
       thisp.look_at = [0, 0, 0]
       thisp.camera_position = [r * np.cos(phi), r * np.sin(phi), 6 * np.sin(phi)]
@@ -167,42 +222,45 @@ before exporting to plots.xml.
 
       plot_file.append(thisp)
 
-This generates a sequence of png files which can be joined to form a gif. Each
+This generates a sequence of png files that can be joined to form a gif. Each
 image specifies a different camera position using some simple periodic functions
-to create a perfectly looped gif. :attr:`ProjectionPlot.look_at` defines where
-the camera's centerline should point at. :attr:`ProjectionPlot.camera_position`
-similarly defines where the camera is situated in the universe level we seek to
-plot. The other settings resemble those employed by :class:`openmc.Plot`, with
-the exception of the :class:`ProjectionPlot.set_transparent` method and
-:attr:`ProjectionPlot.xs` dictionary. These are used to control volume rendering
-of material volumes. "xs" here stands for cross section, and it defines material
-opacities in units of inverse centimeters. Setting this value to a large number
-would make a material or cell opaque, and setting it to zero makes a material
-transparent. Thus, the :class:`ProjectionPlot.set_transparent` can be used to
-make all materials in the geometry transparent. From there, individual material
-or cell opacities can be tuned to produce the desired result.
+to create a perfectly looped gif. :attr:`~WireframeRayTracePlot.look_at` defines
+where the camera's centerline should point at.
+:attr:`~WireframeRayTracePlot.camera_position` similarly defines where the
+camera is situated in the universe level we seek to plot. The other settings
+resemble those employed by :class:`openmc.Plot`, with the exception of the
+:meth:`~WireframeRayTracePlot.set_transparent` method and
+:attr:`~WireframeRayTracePlot.xs` dictionary. These are used to control volume
+rendering of material volumes. "xs" here stands for cross section, and it
+defines material opacities in units of inverse centimeters. Setting this value
+to a large number would make a material or cell opaque, and setting it to zero
+makes a material transparent. Thus, the
+:meth:`~WireframeRayTracePlot.set_transparent` method can be used to make all
+materials in the geometry transparent. From there, individual material or cell
+opacities can be tuned to produce the desired result.
 
 Two camera projections are available when using these plots, perspective and
 orthographic. The default, perspective projection, is a cone of rays passing
 through each pixel which radiate from the camera position and span the field of
 view in the x and y positions. The horizontal field of view can be set with the
-:attr: `ProjectionPlot.horizontal_field_of_view` attribute, which is to be
-specified in units of degrees. The field of view only influences behavior in
+:attr:`~WireframeRayTracePlot.horizontal_field_of_view` attribute, which is to
+be specified in units of degrees. The field of view only influences behavior in
 perspective projection mode.
 
 In the orthographic projection, rays follow the same angle but originate from
 different points. The horizontal width of this plane of ray starting points may
-be set with the :attr: `ProjectionPlot.orthographic_width` element. If this
-element is nonzero, the orthographic projection is employed. Left to its default
-value of zero, the perspective projection is employed.
+be set with the :attr:`~WireframeRayTracePlot.orthographic_width` attribute. If
+this element is nonzero, the orthographic projection is employed. Left to its
+default value of zero, the perspective projection is employed.
 
-Lastly, projection plots come packaged with wireframe generation that can target
-either all surface/cell/material boundaries in the geometry, or only wireframing
-around specific regions. In the above example, we have set only the fuel region
-from the hexagonal lattice example to have a wireframe drawn around it. This is
-accomplished by setting the :attr: `ProjectionPlot.wireframe_domains`, which may
-be set to either material IDs or cell IDs. The
-:attr:`ProjectionPlot.wireframe_thickness` attribute sets the wireframe
+Most importantly, wireframe plots come packaged with wireframe generation that
+can target either all surface/cell/material boundaries in the geometry, or only
+wireframing around specific regions. In the above example, we have set only the
+fuel region from the hexagonal lattice example to have a wireframe drawn around
+it. This is accomplished by setting the
+:attr:`~WireframeRayTracePlot.wireframe_domains` attribute, which may be set to
+either material IDs or cell IDs. The
+:attr:`~WireframeRayTracePlot.wireframe_thickness` attribute sets the wireframe
 thickness in units of pixels.
 
 .. note:: When setting specific material or cell regions to have wireframes
diff --git a/include/openmc/cell.h b/include/openmc/cell.h
index d01020f8e..d7a3cad18 100644
--- a/include/openmc/cell.h
+++ b/include/openmc/cell.h
@@ -115,7 +115,7 @@ private:
   //!
   //! Uses the comobination of half-spaces and binary operators to determine
   //! if short circuiting can be used. Short cicuiting uses the relative and
-  //! absolute depth of parenthases in the expression.
+  //! absolute depth of parentheses in the expression.
   bool contains_complex(Position r, Direction u, int32_t on_surface) const;
 
   //! BoundingBox if the paritcle is in a simple cell.
diff --git a/include/openmc/dagmc.h b/include/openmc/dagmc.h
index 47fcfe237..9c4e47fdf 100644
--- a/include/openmc/dagmc.h
+++ b/include/openmc/dagmc.h
@@ -49,7 +49,8 @@ public:
   double evaluate(Position r) const override;
   double distance(Position r, Direction u, bool coincident) const override;
   Direction normal(Position r) const override;
-  Direction reflect(Position r, Direction u, GeometryState* p) const override;
+  Direction reflect(
+    Position r, Direction u, GeometryState* p = nullptr) const override;
 
   inline void to_hdf5_inner(hid_t group_id) const override {};
 
diff --git a/include/openmc/particle.h b/include/openmc/particle.h
index b1f9fabd1..aaac864e1 100644
--- a/include/openmc/particle.h
+++ b/include/openmc/particle.h
@@ -39,10 +39,6 @@ public:
 
   double speed() const;
 
-  //! moves the particle by the distance length to its next location
-  //! \param length the distance the particle is moved
-  void move_distance(double length);
-
   //! create a secondary particle
   //
   //! stores the current phase space attributes of the particle in the
diff --git a/include/openmc/particle_data.h b/include/openmc/particle_data.h
index 2255d1a7d..e2fac79e3 100644
--- a/include/openmc/particle_data.h
+++ b/include/openmc/particle_data.h
@@ -191,6 +191,13 @@ struct BoundaryInfo {
   array<int, 3>
     lattice_translation {}; //!< which way lattice indices will change
 
+  void reset()
+  {
+    distance = INFINITY;
+    surface = SURFACE_NONE;
+    coord_level = 0;
+    lattice_translation = {0, 0, 0};
+  }
   // TODO: off-by-one
   int surface_index() const { return std::abs(surface) - 1; }
 };
@@ -226,6 +233,12 @@ public:
     n_coord_last_ = 1;
   }
 
+  //! moves the particle by the specified distance to its next location
+  //! \param distance the distance the particle is moved
+  void move_distance(double distance);
+
+  void advance_to_boundary_from_void();
+
   // Initialize all internal state from position and direction
   void init_from_r_u(Position r_a, Direction u_a)
   {
@@ -565,7 +578,6 @@ public:
   int& cell_born() { return cell_born_; }
   const int& cell_born() const { return cell_born_; }
 
-  // index of the current and last material
   // Total number of collisions suffered by particle
   int& n_collision() { return n_collision_; }
   const int& n_collision() const { return n_collision_; }
diff --git a/include/openmc/plot.h b/include/openmc/plot.h
index ee6c3fbec..69e801c5f 100644
--- a/include/openmc/plot.h
+++ b/include/openmc/plot.h
@@ -4,6 +4,7 @@
 #include <cmath>
 #include <sstream>
 #include <unordered_map>
+#include <unordered_set>
 
 #include "pugixml.hpp"
 #include "xtensor/xarray.hpp"
@@ -61,6 +62,14 @@ struct RGBColor {
     return red == other.red && green == other.green && blue == other.blue;
   }
 
+  RGBColor& operator*=(const double x)
+  {
+    red *= x;
+    green *= x;
+    blue *= x;
+    return *this;
+  }
+
   // Members
   uint8_t red, green, blue;
 };
@@ -70,9 +79,14 @@ const RGBColor WHITE {255, 255, 255};
 const RGBColor RED {255, 0, 0};
 const RGBColor BLACK {0, 0, 0};
 
-/*
- * PlottableInterface classes just have to have a unique ID in the plots.xml
- * file, and guarantee being able to create output in some way.
+/**
+ * \class PlottableInterface
+ * \brief Interface for plottable objects.
+ *
+ * PlottableInterface classes must have a unique ID in the plots.xml file.
+ * They guarantee the ability to create output in some form. This interface
+ * is designed to be implemented by classes that produce plot-relevant data
+ * which can be visualized.
  */
 class PlottableInterface {
 private:
@@ -232,8 +246,8 @@ T SlicePlotBase::get_map() const
           data.set_overlap(y, x);
         }
       } // inner for
-    }   // outer for
-  }     // omp parallel
+    }
+  }
 
   return data;
 }
@@ -268,32 +282,110 @@ public:
   RGBColor meshlines_color_;      //!< Color of meshlines on the plot
 };
 
-class ProjectionPlot : public PlottableInterface {
+/**
+ * \class RaytracePlot
+ * \brief Base class for plots that generate images through ray tracing.
+ *
+ * This class serves as a base for plots that create their visuals by tracing
+ * rays from a camera through the problem geometry. It inherits from
+ * PlottableInterface, ensuring that it provides an implementation for
+ * generating output specific to ray-traced visualization. WireframeRayTracePlot
+ * and SolidRayTracePlot provide concrete implementations of this class.
+ */
+class RayTracePlot : public PlottableInterface {
+public:
+  RayTracePlot(pugi::xml_node plot);
+
+  // Standard getters. No setting since it's done from XML.
+  const Position& camera_position() const { return camera_position_; }
+  const Position& look_at() const { return look_at_; }
+  const double& horizontal_field_of_view() const
+  {
+    return horizontal_field_of_view_;
+  }
+
+  virtual void print_info() const;
+
+protected:
+  Direction camera_x_axis() const
+  {
+    return {camera_to_model_[0], camera_to_model_[3], camera_to_model_[6]};
+  }
+
+  Direction camera_y_axis() const
+  {
+    return {camera_to_model_[1], camera_to_model_[4], camera_to_model_[7]};
+  }
+
+  Direction camera_z_axis() const
+  {
+    return {camera_to_model_[2], camera_to_model_[5], camera_to_model_[8]};
+  }
+
+  void set_output_path(pugi::xml_node plot_node);
+
+  /*
+   * Gets the starting position and direction for the pixel corresponding
+   * to this horizontal and vertical position.
+   */
+  std::pair<Position, Direction> get_pixel_ray(int horiz, int vert) const;
+
+  std::array<int, 2> pixels_; // pixel dimension of resulting image
+
+private:
+  void set_look_at(pugi::xml_node node);
+  void set_camera_position(pugi::xml_node node);
+  void set_field_of_view(pugi::xml_node node);
+  void set_pixels(pugi::xml_node node);
+  void set_orthographic_width(pugi::xml_node node);
+
+  double horizontal_field_of_view_ {70.0}; // horiz. f.o.v. in degrees
+  Position camera_position_;               // where camera is
+  Position look_at_; // point camera is centered looking at
+
+  Direction up_ {0.0, 0.0, 1.0}; // which way is up
+
+  /* The horizontal thickness, if using an orthographic projection.
+   * If set to zero, we assume using a perspective projection.
+   */
+  double orthographic_width_ {C_NONE};
+
+  /*
+   * Cached camera-to-model matrix with column vectors of axes. The x-axis is
+   * the vector between the camera_position_ and look_at_; the y-axis is the
+   * cross product of the x-axis with the up_ vector, and the z-axis is the
+   * cross product of the x and y axes.
+   */
+  std::array<double, 9> camera_to_model_;
+};
+
+class ProjectionRay;
+
+/**
+ * \class WireframeRayTracePlot
+ * \brief Creates plots that are like colorful x-ray imaging
+ *
+ * WireframeRayTracePlot is a specialized form of RayTracePlot designed for
+ * creating projection plots. This involves tracing rays from a camera through
+ * the problem geometry and rendering the results based on depth of penetration
+ * through materials or cells and their colors.
+ */
+class WireframeRayTracePlot : public RayTracePlot {
+
+  friend class ProjectionRay;
 
 public:
-  ProjectionPlot(pugi::xml_node plot);
+  WireframeRayTracePlot(pugi::xml_node plot);
 
   virtual void create_output() const;
   virtual void print_info() const;
 
 private:
-  void set_output_path(pugi::xml_node plot_node);
-  void set_look_at(pugi::xml_node node);
-  void set_camera_position(pugi::xml_node node);
-  void set_field_of_view(pugi::xml_node node);
-  void set_pixels(pugi::xml_node node);
   void set_opacities(pugi::xml_node node);
-  void set_orthographic_width(pugi::xml_node node);
   void set_wireframe_thickness(pugi::xml_node node);
   void set_wireframe_ids(pugi::xml_node node);
   void set_wireframe_color(pugi::xml_node node);
 
-  /* If starting the particle from outside the geometry, we have to
-   * find a distance to the boundary in a non-standard surface intersection
-   * check. It's an exhaustive search over surfaces in the top-level universe.
-   */
-  static int advance_to_boundary_from_void(GeometryState& p);
-
   /* Checks if a vector of two TrackSegments is equivalent. We define this
    * to mean not having matching intersection lengths, but rather having
    * a matching sequence of surface/cell/material intersections.
@@ -314,30 +406,15 @@ private:
      * if two surfaces bound a single cell, it allows drawing that sharp edge
      * where the surfaces intersect.
      */
-    int surface; // last surface ID intersected in this segment
+    int surface_index {-1}; // last surface index intersected in this segment
     TrackSegment(int id_a, double length_a, int surface_a)
-      : id(id_a), length(length_a), surface(surface_a)
+      : id(id_a), length(length_a), surface_index(surface_a)
     {}
   };
 
-  // Max intersections before we assume ray tracing is caught in an infinite
-  // loop:
-  static const int MAX_INTERSECTIONS = 1000000;
-
-  std::array<int, 2> pixels_;              // pixel dimension of resulting image
-  double horizontal_field_of_view_ {70.0}; // horiz. f.o.v. in degrees
-  Position camera_position_;               // where camera is
-  Position look_at_;             // point camera is centered looking at
-  Direction up_ {0.0, 0.0, 1.0}; // which way is up
-
   // which color IDs should be wireframed. If empty, all cells are wireframed.
   vector<int> wireframe_ids_;
 
-  /* The horizontal thickness, if using an orthographic projection.
-   * If set to zero, we assume using a perspective projection.
-   */
-  double orthographic_width_ {0.0};
-
   // Thickness of the wireframe lines. Can set to zero for no wireframe.
   int wireframe_thickness_ {1};
 
@@ -345,6 +422,124 @@ private:
   vector<double> xs_; // macro cross section values for cell volume rendering
 };
 
+/**
+ * \class SolidRayTracePlot
+ * \brief Plots 3D objects as the eye might see them.
+ *
+ * Plots a geometry with single-scattered Phong lighting plus a diffuse lighting
+ * contribution. The result is a physically reasonable, aesthetic 3D view of a
+ * geometry.
+ */
+class SolidRayTracePlot : public RayTracePlot {
+  friend class PhongRay;
+
+public:
+  SolidRayTracePlot(pugi::xml_node plot);
+
+  virtual void create_output() const;
+  virtual void print_info() const;
+
+private:
+  void set_opaque_ids(pugi::xml_node node);
+  void set_light_position(pugi::xml_node node);
+  void set_diffuse_fraction(pugi::xml_node node);
+
+  std::unordered_set<int> opaque_ids_;
+
+  double diffuse_fraction_ {0.1};
+
+  // By default, the light is at the camera unless otherwise specified.
+  Position light_location_;
+};
+
+// Base class that implements ray tracing logic, not necessarily through
+// defined regions of the geometry but also outside of it.
+class Ray : public GeometryState {
+
+public:
+  Ray(Position r, Direction u) { init_from_r_u(r, u); }
+
+  // Called at every surface intersection within the model
+  virtual void on_intersection() = 0;
+
+  /*
+   * Traces the ray through the geometry, calling on_intersection
+   * at every surface boundary.
+   */
+  void trace();
+
+  // Stops the ray and exits tracing when called from on_intersection
+  void stop() { stop_ = true; }
+
+  // Sets the dist_ variable
+  void compute_distance();
+
+protected:
+  // Records how far the ray has traveled
+  double traversal_distance_ {0.0};
+
+private:
+  // Max intersections before we assume ray tracing is caught in an infinite
+  // loop:
+  static const int MAX_INTERSECTIONS = 1000000;
+
+  bool hit_something_ {false};
+  bool stop_ {false};
+
+  unsigned event_counter_ {0};
+};
+
+class ProjectionRay : public Ray {
+public:
+  ProjectionRay(Position r, Direction u, const WireframeRayTracePlot& plot,
+    vector<WireframeRayTracePlot::TrackSegment>& line_segments)
+    : Ray(r, u), plot_(plot), line_segments_(line_segments)
+  {}
+
+  virtual void on_intersection() override;
+
+private:
+  /* Store a reference to the plot object which is running this ray, in order
+   * to access some of the plot settings which influence the behavior where
+   * intersections are.
+   */
+  const WireframeRayTracePlot& plot_;
+
+  /* The ray runs through the geometry, and records the lengths of ray segments
+   * and cells they lie in along the way.
+   */
+  vector<WireframeRayTracePlot::TrackSegment>& line_segments_;
+};
+
+class PhongRay : public Ray {
+public:
+  PhongRay(Position r, Direction u, const SolidRayTracePlot& plot)
+    : Ray(r, u), plot_(plot)
+  {
+    result_color_ = plot_.not_found_;
+  }
+
+  virtual void on_intersection() override;
+
+  const RGBColor& result_color() { return result_color_; }
+
+private:
+  const SolidRayTracePlot& plot_;
+
+  /* After the ray is reflected, it is moving towards the
+   * camera. It does that in order to see if the exposed surface
+   * is shadowed by something else.
+   */
+  bool reflected_ {false};
+
+  // Have to record the first hit ID, so that if the region
+  // does get shadowed, we recall what its color should be
+  // when tracing from the surface to the light.
+  int orig_hit_id_ {-1};
+
+  RGBColor result_color_;
+};
+
 //===============================================================================
 // Non-member functions
 //===============================================================================
diff --git a/include/openmc/position.h b/include/openmc/position.h
index dc60ab35a..5d291d26b 100644
--- a/include/openmc/position.h
+++ b/include/openmc/position.h
@@ -94,8 +94,24 @@ struct Position {
   //! \result Reflected vector
   Position reflect(Position n) const;
 
-  //! Rotate the position based on a rotation matrix
-  Position rotate(const vector<double>& rotation) const;
+  //! Rotate the position by applying a rotation matrix
+  template<typename T>
+  Position rotate(const T& rotation) const
+  {
+    return {x * rotation[0] + y * rotation[1] + z * rotation[2],
+      x * rotation[3] + y * rotation[4] + z * rotation[5],
+      x * rotation[6] + y * rotation[7] + z * rotation[8]};
+  }
+
+  //! Rotate the position by applying the inverse of a rotation matrix
+  //! using the fact that rotation matrices are orthonormal.
+  template<typename T>
+  Position inverse_rotate(const T& rotation) const
+  {
+    return {x * rotation[0] + y * rotation[3] + z * rotation[6],
+      x * rotation[1] + y * rotation[4] + z * rotation[7],
+      x * rotation[2] + y * rotation[5] + z * rotation[8]};
+  }
 
   // Data members
   double x = 0.;
diff --git a/include/openmc/surface.h b/include/openmc/surface.h
index 498f71d4f..2397a64cc 100644
--- a/include/openmc/surface.h
+++ b/include/openmc/surface.h
@@ -62,7 +62,7 @@ public:
     Position r, Direction u, GeometryState* p = nullptr) const;
 
   virtual Direction diffuse_reflect(
-    Position r, Direction u, uint64_t* seed, GeometryState* p = nullptr) const;
+    Position r, Direction u, uint64_t* seed) const;
 
   //! Evaluate the equation describing the surface.
   //!
diff --git a/openmc/_xml.py b/openmc/_xml.py
index b40ecb258..17389a82f 100644
--- a/openmc/_xml.py
+++ b/openmc/_xml.py
@@ -82,7 +82,7 @@ def reorder_attributes(root):
 
 
 def get_elem_tuple(elem, name, dtype=int):
-    '''Helper function to get a tuple of values from an elem
+    """Helper function to get a tuple of values from an elem
 
     Parameters
     ----------
@@ -97,7 +97,7 @@ def get_elem_tuple(elem, name, dtype=int):
     -------
     tuple of dtype
         Data read from the tuple
-    '''
+    """
     subelem = elem.find(name)
     if subelem is not None:
         return tuple([dtype(x) for x in subelem.text.split()])
diff --git a/openmc/model/model.py b/openmc/model/model.py
index 8dd13ef6b..5e93d9804 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -124,7 +124,7 @@ class Model:
 
     @plots.setter
     def plots(self, plots):
-        check_type('plots', plots, Iterable, openmc.Plot)
+        check_type('plots', plots, Iterable, openmc.PlotBase)
         if isinstance(plots, openmc.Plots):
             self._plots = plots
         else:
@@ -220,7 +220,8 @@ class Model:
         materials = openmc.Materials.from_xml(materials)
         geometry = openmc.Geometry.from_xml(geometry, materials)
         settings = openmc.Settings.from_xml(settings)
-        tallies = openmc.Tallies.from_xml(tallies) if Path(tallies).exists() else None
+        tallies = openmc.Tallies.from_xml(
+            tallies) if Path(tallies).exists() else None
         plots = openmc.Plots.from_xml(plots) if Path(plots).exists() else None
         return cls(geometry, materials, settings, tallies, plots)
 
@@ -242,12 +243,16 @@ class Model:
         model = cls()
 
         meshes = {}
-        model.settings = openmc.Settings.from_xml_element(root.find('settings'), meshes)
-        model.materials = openmc.Materials.from_xml_element(root.find('materials'))
-        model.geometry = openmc.Geometry.from_xml_element(root.find('geometry'), model.materials)
+        model.settings = openmc.Settings.from_xml_element(
+            root.find('settings'), meshes)
+        model.materials = openmc.Materials.from_xml_element(
+            root.find('materials'))
+        model.geometry = openmc.Geometry.from_xml_element(
+            root.find('geometry'), model.materials)
 
         if root.find('tallies') is not None:
-            model.tallies = openmc.Tallies.from_xml_element(root.find('tallies'), meshes)
+            model.tallies = openmc.Tallies.from_xml_element(
+                root.find('tallies'), meshes)
 
         if root.find('plots') is not None:
             model.plots = openmc.Plots.from_xml_element(root.find('plots'))
@@ -538,11 +543,13 @@ class Model:
 
             if self.tallies:
                 tallies_element = self.tallies.to_xml_element(mesh_memo)
-                xml.clean_indentation(tallies_element, level=1, trailing_indent=self.plots)
+                xml.clean_indentation(
+                    tallies_element, level=1, trailing_indent=self.plots)
                 fh.write(ET.tostring(tallies_element, encoding="unicode"))
             if self.plots:
                 plots_element = self.plots.to_xml_element()
-                xml.clean_indentation(plots_element, level=1, trailing_indent=False)
+                xml.clean_indentation(
+                    plots_element, level=1, trailing_indent=False)
                 fh.write(ET.tostring(plots_element, encoding="unicode"))
             fh.write("</model>\n")
 
diff --git a/openmc/plots.py b/openmc/plots.py
index a59a7f0eb..246076598 100644
--- a/openmc/plots.py
+++ b/openmc/plots.py
@@ -555,13 +555,21 @@ class PlotBase(IDManagerMixin):
         else:
             domains = geometry.get_all_cells().values()
 
-        # Set the seed for the random number generator
         rng = np.random.RandomState(seed)
 
         # Generate random colors for each feature
         for domain in domains:
             self.colors[domain] = rng.randint(0, 256, (3,))
 
+    def _colors_to_xml(self, element):
+        for domain, color in sorted(self._colors.items(),
+                                    key=lambda x: self._get_id(x[0])):
+            subelement = ET.SubElement(element, "color")
+            subelement.set("id", str(self._get_id(domain)))
+            if isinstance(color, str):
+                color = _SVG_COLORS[color.lower()]
+            subelement.set("rgb", ' '.join(str(x) for x in color))
+
     def to_xml_element(self):
         """Save common plot attributes to XML element
 
@@ -887,13 +895,7 @@ class Plot(PlotBase):
         subelement.text = ' '.join(map(str, self._width))
 
         if self._colors:
-            for domain, color in sorted(self._colors.items(),
-                                        key=lambda x: PlotBase._get_id(x[0])):
-                subelement = ET.SubElement(element, "color")
-                subelement.set("id", str(PlotBase._get_id(domain)))
-                if isinstance(color, str):
-                    color = _SVG_COLORS[color.lower()]
-                subelement.set("rgb", ' '.join(str(x) for x in color))
+            self._colors_to_xml(element)
 
         if self._show_overlaps:
             subelement = ET.SubElement(element, "show_overlaps")
@@ -1051,7 +1053,8 @@ class Plot(PlotBase):
 
         """
         if self.type != 'voxel':
-            raise ValueError('Generating a VTK file only works for voxel plots')
+            raise ValueError(
+                'Generating a VTK file only works for voxel plots')
 
         # Create plots.xml
         Plots([self]).export_to_xml(cwd)
@@ -1072,20 +1075,17 @@ class Plot(PlotBase):
         return voxel_to_vtk(h5_voxel_file, output)
 
 
-class ProjectionPlot(PlotBase):
+class RayTracePlot(PlotBase):
     """Definition of a camera's view of OpenMC geometry
 
-    Colors are defined in the same manner as the Plot class, but with the addition
-    of a coloring parameter resembling a macroscopic cross section in units of inverse
-    centimeters. The volume rendering technique is used to color regions of the model.
-    An infinite cross section denotes a fully opaque region, and zero represents a
-    transparent region which will expose the color of the regions behind it.
-
     The camera projection may either by orthographic or perspective. Perspective
-    projections are more similar to a pinhole camera, and orthographic projections
-    preserve parallel lines and distances.
+    projections are more similar to a pinhole camera, and orthographic
+    projections preserve parallel lines and distances.
 
-    .. versionadded:: 0.14.0
+    This is an abstract base class that :class:`WireframeRayTracePlot` and
+    :class:`SolidRayTracePlot` finish the implementation of.
+
+    .. versionadded:: 0.15.1
 
     Parameters
     ----------
@@ -1113,21 +1113,6 @@ class ProjectionPlot(PlotBase):
         unlike with the default perspective projection. The height of the
         array is deduced from the ratio of pixel dimensions for the image.
         Defaults to zero, i.e. using perspective projection.
-    wireframe_thickness : int
-        Line thickness employed for drawing wireframes around cells or
-        material regions. Can be set to zero for no wireframes at all.
-        Defaults to one pixel.
-    wireframe_color : tuple of ints
-        RGB color of the wireframe lines. Defaults to black.
-    wireframe_domains : iterable of either Material or Cells
-        If provided, the wireframe is only drawn around these.
-        If color_by is by material, it must be a list of materials, else cells.
-    xs : dict
-        A mapping from cell/material IDs to floats. The floating point values
-        are macroscopic cross sections influencing the volume rendering opacity
-        of each geometric region. Zero corresponds to perfect transparency, and
-        infinity equivalent to opaque. These must be set by the user, but default
-        values can be obtained using the set_transparent method.
     """
 
     def __init__(self, plot_id=None, name=''):
@@ -1138,10 +1123,6 @@ class ProjectionPlot(PlotBase):
         self._look_at = (0.0, 0.0, 0.0)
         self._up = (0.0, 0.0, 1.0)
         self._orthographic_width = 0.0
-        self._wireframe_thickness = 1
-        self._wireframe_color = _SVG_COLORS['black']
-        self._wireframe_domains = []
-        self._xs = {}
 
     @property
     def horizontal_field_of_view(self):
@@ -1195,6 +1176,161 @@ class ProjectionPlot(PlotBase):
         assert orthographic_width >= 0.0
         self._orthographic_width = orthographic_width
 
+    def _check_domains_consistent_with_color_by(self, domains):
+        """Check domains are the same as the type we are coloring by"""
+        for region in domains:
+            # if an integer is passed, we have to assume it was a valid ID
+            if isinstance(region, int):
+                continue
+
+            if self._color_by == 'material':
+                if not isinstance(region, openmc.Material):
+                    raise Exception('Domain list must be materials if '
+                                    'color_by=material')
+            else:
+                if not isinstance(region, openmc.Cell):
+                    raise Exception('Domain list must be cells if '
+                                    'color_by=cell')
+
+    def to_xml_element(self):
+        """Return XML representation of the ray trace plot
+
+        Returns
+        -------
+        element : lxml.etree._Element
+            XML element containing plot data
+
+        """
+
+        element = super().to_xml_element()
+        element.set("id", str(self._id))
+
+        subelement = ET.SubElement(element, "camera_position")
+        subelement.text = ' '.join(map(str, self._camera_position))
+
+        subelement = ET.SubElement(element, "look_at")
+        subelement.text = ' '.join(map(str, self._look_at))
+
+        subelement = ET.SubElement(element, "horizontal_field_of_view")
+        subelement.text = str(self._horizontal_field_of_view)
+
+        # do not need to write if orthographic_width == 0.0
+        if self._orthographic_width > 0.0:
+            subelement = ET.SubElement(element, "orthographic_width")
+            subelement.text = str(self._orthographic_width)
+
+        return element
+
+    def __repr__(self):
+        string = ''
+        string += '{: <16}=\t{}\n'.format('\tID', self._id)
+        string += '{: <16}=\t{}\n'.format('\tName', self._name)
+        string += '{: <16}=\t{}\n'.format('\tFilename', self._filename)
+        string += '{: <16}=\t{}\n'.format('\tHorizontal FOV',
+                                          self._horizontal_field_of_view)
+        string += '{: <16}=\t{}\n'.format('\tOrthographic width',
+                                          self._orthographic_width)
+        string += '{: <16}=\t{}\n'.format('\tCamera position',
+                                          self._camera_position)
+        string += '{: <16}=\t{}\n'.format('\tLook at', self._look_at)
+        string += '{: <16}=\t{}\n'.format('\tUp', self._up)
+        string += '{: <16}=\t{}\n'.format('\tPixels', self._pixels)
+        string += '{: <16}=\t{}\n'.format('\tColor by', self._color_by)
+        string += '{: <16}=\t{}\n'.format('\tBackground', self._background)
+        string += '{: <16}=\t{}\n'.format('\tColors', self._colors)
+        string += '{: <16}=\t{}\n'.format('\tLevel', self._level)
+        return string
+
+    def _read_xml_attributes(self, elem):
+        """Helper function called by from_xml_element
+        of child classes. These are common vaues to be
+        read by any ray traced plot.
+
+        Returns
+        -------
+        None
+        """
+
+        if "filename" in elem.keys():
+            self.filename = elem.get("filename")
+        self.color_by = elem.get("color_by")
+
+        horizontal_fov = elem.find("horizontal_field_of_view")
+        if horizontal_fov is not None:
+            self.horizontal_field_of_view = float(horizontal_fov.text)
+
+        if (tmp := elem.find("orthographic_width")) is not None:
+            self.orthographic_width = float(tmp)
+
+        self.pixels = get_elem_tuple(elem, "pixels")
+        self.camera_position = get_elem_tuple(elem, "camera_position", float)
+        self.look_at = get_elem_tuple(elem, "look_at", float)
+
+        if elem.find("background") is not None:
+            self.background = get_elem_tuple(elem, "background")
+
+        # Set masking information
+        if (mask_elem := elem.find("mask")) is not None:
+            mask_components = [int(x)
+                               for x in mask_elem.get("components").split()]
+            # TODO: set mask components(needs geometry information)
+            background = mask_elem.get("background")
+            if background is not None:
+                self.mask_background = tuple(
+                    [int(x) for x in background.split()])
+
+        # Set universe level
+        level = elem.find("level")
+        if level is not None:
+            self.level = int(level.text)
+
+
+class WireframeRayTracePlot(RayTracePlot):
+    """Plots wireframes of geometry with volume rendered colors
+
+    Colors are defined in the same manner as the Plot class, but with the
+    addition of a coloring parameter resembling a macroscopic cross section in
+    units of inverse centimeters. The volume rendering technique is used to
+    color regions of the model. An infinite cross section denotes a fully opaque
+    region, and zero represents a transparent region which will expose the color
+    of the regions behind it.
+
+    .. versionchanged:: 0.15.1
+        Renamed from ProjectionPlot to WireframeRayTracePlot
+
+    Parameters
+    ----------
+    plot_id : int
+        Unique identifier for the plot
+    name : str
+        Name of the plot
+
+    Attributes
+    ----------
+    wireframe_thickness : int
+        Line thickness employed for drawing wireframes around cells or material
+        regions. Can be set to zero for no wireframes at all. Defaults to one
+        pixel.
+    wireframe_color : tuple of ints
+        RGB color of the wireframe lines. Defaults to black.
+    wireframe_domains : iterable of either Material or Cells
+        If provided, the wireframe is only drawn around these. If color_by is by
+        material, it must be a list of materials, else cells.
+    xs : dict
+        A mapping from cell/material IDs to floats. The floating point values
+        are macroscopic cross sections influencing the volume rendering opacity
+        of each geometric region. Zero corresponds to perfect transparency, and
+        infinity equivalent to opaque. These must be set by the user, but
+        default values can be obtained using the :meth:`set_transparent` method.
+    """
+
+    def __init__(self, plot_id=None, name=''):
+        super().__init__(plot_id, name)
+        self._wireframe_thickness = 1
+        self._wireframe_color = _SVG_COLORS['black']
+        self._wireframe_domains = []
+        self._xs = {}
+
     @property
     def wireframe_thickness(self):
         return self._wireframe_thickness
@@ -1221,15 +1357,6 @@ class ProjectionPlot(PlotBase):
 
     @wireframe_domains.setter
     def wireframe_domains(self, wireframe_domains):
-        for region in wireframe_domains:
-            if self._color_by == 'material':
-                if not isinstance(region, openmc.Material):
-                    raise Exception('Must provide a list of materials for \
-                            wireframe_region if color_by=Material')
-            else:
-                if not isinstance(region, openmc.Cell):
-                    raise Exception('Must provide a list of cells for \
-                            wireframe_region if color_by=cell')
         self._wireframe_domains = wireframe_domains
 
     @property
@@ -1266,6 +1393,18 @@ class ProjectionPlot(PlotBase):
         for domain in domains:
             self.xs[domain] = 0.0
 
+    def __repr__(self):
+        string = 'Wireframe Ray-traced Plot\n'
+        string += super().__repr__()
+        string += '{: <16}=\t{}\n'.format('\tWireframe thickness',
+                                          self._wireframe_thickness)
+        string += '{: <16}=\t{}\n'.format('\tWireframe color',
+                                          self._wireframe_color)
+        string += '{: <16}=\t{}\n'.format('\tWireframe domains',
+                                          self._wireframe_domains)
+        string += '{: <16}=\t{}\n'.format('\tTransparencies', self._xs)
+        return string
+
     def to_xml_element(self):
         """Return XML representation of the projection plot
 
@@ -1275,15 +1414,8 @@ class ProjectionPlot(PlotBase):
             XML element containing plot data
 
         """
-
         element = super().to_xml_element()
-        element.set("type", "projection")
-
-        subelement = ET.SubElement(element, "camera_position")
-        subelement.text = ' '.join(map(str, self._camera_position))
-
-        subelement = ET.SubElement(element, "look_at")
-        subelement.text = ' '.join(map(str, self._look_at))
+        element.set("type", "wireframe_raytrace")
 
         subelement = ET.SubElement(element, "wireframe_thickness")
         subelement.text = str(self._wireframe_thickness)
@@ -1294,6 +1426,8 @@ class ProjectionPlot(PlotBase):
             color = _SVG_COLORS[color.lower()]
         subelement.text = ' '.join(str(x) for x in color)
 
+        self._check_domains_consistent_with_color_by(self.wireframe_domains)
+
         if self._wireframe_domains:
             id_list = [x.id for x in self._wireframe_domains]
             subelement = ET.SubElement(element, "wireframe_ids")
@@ -1311,43 +1445,8 @@ class ProjectionPlot(PlotBase):
                 subelement.set("rgb", ' '.join(str(x) for x in color))
                 subelement.set("xs", str(self._xs[domain]))
 
-        subelement = ET.SubElement(element, "horizontal_field_of_view")
-        subelement.text = str(self._horizontal_field_of_view)
-
-        # do not need to write if orthographic_width == 0.0
-        if self._orthographic_width > 0.0:
-            subelement = ET.SubElement(element, "orthographic_width")
-            subelement.text = str(self._orthographic_width)
-
         return element
 
-    def __repr__(self):
-        string = 'Projection Plot\n'
-        string += '{: <16}=\t{}\n'.format('\tID', self._id)
-        string += '{: <16}=\t{}\n'.format('\tName', self._name)
-        string += '{: <16}=\t{}\n'.format('\tFilename', self._filename)
-        string += '{: <16}=\t{}\n'.format('\tHorizontal FOV',
-                                          self._horizontal_field_of_view)
-        string += '{: <16}=\t{}\n'.format('\tOrthographic width',
-                                          self._orthographic_width)
-        string += '{: <16}=\t{}\n'.format('\tWireframe thickness',
-                                          self._wireframe_thickness)
-        string += '{: <16}=\t{}\n'.format('\tWireframe color',
-                                          self._wireframe_color)
-        string += '{: <16}=\t{}\n'.format('\tWireframe domains',
-                                          self._wireframe_domains)
-        string += '{: <16}=\t{}\n'.format('\tCamera position',
-                                          self._camera_position)
-        string += '{: <16}=\t{}\n'.format('\tLook at', self._look_at)
-        string += '{: <16}=\t{}\n'.format('\tUp', self._up)
-        string += '{: <16}=\t{}\n'.format('\tPixels', self._pixels)
-        string += '{: <16}=\t{}\n'.format('\tColor by', self._color_by)
-        string += '{: <16}=\t{}\n'.format('\tBackground', self._background)
-        string += '{: <16}=\t{}\n'.format('\tColors', self._colors)
-        string += '{: <16}=\t{}\n'.format('\tTransparencies', self._xs)
-        string += '{: <16}=\t{}\n'.format('\tLevel', self._level)
-        return string
-
     @classmethod
     def from_xml_element(cls, elem):
         """Generate plot object from an XML element
@@ -1359,60 +1458,193 @@ class ProjectionPlot(PlotBase):
 
         Returns
         -------
-        openmc.ProjectionPlot
-            ProjectionPlot object
+        openmc.WireframeRayTracePlot
+            WireframeRayTracePlot object
 
         """
+
         plot_id = int(elem.get("id"))
-        plot = cls(plot_id)
-        if "filename" in elem.keys():
-            plot.filename = elem.get("filename")
-        plot.color_by = elem.get("color_by")
-        plot.type = "projection"
+        plot_name = get_text(elem, 'name', '')
+        plot = cls(plot_id, plot_name)
+        plot.type = "wireframe_raytrace"
 
-        horizontal_fov = elem.find("horizontal_field_of_view")
-        if horizontal_fov is not None:
-            plot.horizontal_field_of_view = float(horizontal_fov.text)
+        plot._read_xml_attributes(elem)
 
-        tmp = elem.find("orthographic_width")
-        if tmp is not None:
-            plot.orthographic_width = float(tmp)
-
-        plot.pixels = get_elem_tuple(elem, "pixels")
-        plot.camera_position = get_elem_tuple(elem, "camera_position", float)
-        plot.look_at = get_elem_tuple(elem, "look_at", float)
-
-        # Attempt to get wireframe thickness. May not be present
-        wireframe_thickness = elem.get("wireframe_thickness")
-        if wireframe_thickness:
-            plot.wireframe_thickness = int(wireframe_thickness)
+        # Attempt to get wireframe thickness.May not be present
+        wireframe_thickness = elem.find("wireframe_thickness")
+        if wireframe_thickness is not None:
+            plot.wireframe_thickness = int(wireframe_thickness.text)
         wireframe_color = elem.get("wireframe_color")
         if wireframe_color:
             plot.wireframe_color = [int(item) for item in wireframe_color]
 
         # Set plot colors
-        colors = {}
-        xs = {}
+        for color_elem in elem.findall("color"):
+            uid = int(color_elem.get("id"))
+            plot.colors[uid] = tuple(int(i)
+                                     for i in get_text(color_elem, 'rgb').split())
+            plot.xs[uid] = float(color_elem.get("xs"))
+
+        return plot
+
+
+class SolidRayTracePlot(RayTracePlot):
+    """Phong shading-based rendering of an OpenMC geometry
+
+    This class defines a plot that uses Phong shading to enhance the
+    visualization of an OpenMC geometry by incorporating diffuse lighting and
+    configurable opacity for certain regions. It extends :class:`RayTracePlot`
+    by adding parameters related to lighting and transparency.
+
+    .. versionadded:: 0.15.1
+
+    Parameters
+    ----------
+    plot_id : int, optional
+        Unique identifier for the plot
+    name : str, optional
+        Name of the plot
+
+    Attributes
+    ----------
+    light_position : tuple or list of float
+        Position of the light source in 3D space. Defaults to None, which places
+        the light at the camera position.
+    diffuse_fraction : float
+        Fraction of lighting that is diffuse (non-directional). Defaults to 0.1.
+        Must be between 0 and 1.
+    opaque_domains : list
+        List of domains (e.g., cells or materials) that should be rendered as
+        opaque rather than allowing transparency.
+    """
+
+    def __init__(self, plot_id=None, name=''):
+        super().__init__(plot_id, name)
+        self._light_position = None
+        self._diffuse_fraction = 0.1
+        self._opaque_domains = []
+
+    @property
+    def light_position(self):
+        return self._light_position
+
+    @light_position.setter
+    def light_position(self, x):
+        cv.check_type('plot light position', x, Iterable, Real)
+        cv.check_length('plot light position', x, 3)
+        self._light_position = x
+
+    @property
+    def diffuse_fraction(self):
+        return self._diffuse_fraction
+
+    @diffuse_fraction.setter
+    def diffuse_fraction(self, x):
+        cv.check_type('diffuse fraction', x, Real)
+        cv.check_greater_than('diffuse fraction', x, 0.0, equality=True)
+        cv.check_less_than('diffuse fraction', x, 1.0, equality=True)
+        self._diffuse_fraction = x
+
+    @property
+    def opaque_domains(self):
+        return self._opaque_domains
+
+    @opaque_domains.setter
+    def opaque_domains(self, x):
+        # Note that _check_domains_consistent_with_color_by checks
+        # the types within later. This is because we don't necessarily
+        # know what types are acceptable until the user has set the
+        # color_by attribute, too.
+        cv.check_type('opaque domains', x, Iterable)
+        self._opaque_domains = x
+
+    def __repr__(self):
+        string = 'Solid Ray-traced Plot\n'
+        string += super().__repr__()
+        string += '{: <16}=\t{}\n'.format('\tDiffuse Fraction',
+                                          self._diffuse_fraction)
+        string += '{: <16}=\t{}\n'.format('\tLight position',
+                                          self._light_position)
+        string += '{: <16}=\t{}\n'.format('\tOpaque domains',
+                                          self._opaque_domains)
+        return string
+
+    def to_xml_element(self):
+        """Return XML representation of the solid ray-traced plot
+
+        Returns
+        -------
+        element : lxml.etree._Element
+            XML element containing plot data
+
+        """
+        element = super().to_xml_element()
+        element.set("type", "solid_raytrace")
+
+        # no light position means put it at the camera
+        if self._light_position:
+            subelement = ET.SubElement(element, "light_position")
+            subelement.text = ' '.join(map(str, self._light_position))
+
+        # no diffuse fraction defaults to 0.1
+        if self._diffuse_fraction:
+            subelement = ET.SubElement(element, "diffuse_fraction")
+            subelement.text = str(self._diffuse_fraction)
+
+        self._check_domains_consistent_with_color_by(self.opaque_domains)
+        subelement = ET.SubElement(element, "opaque_ids")
+
+        # Extract all IDs, or use the integer value passed in
+        # explicitly if that was given
+        subelement.text = ' '.join(
+            [str(domain) if isinstance(domain, int) else
+             str(domain.id) for domain in self._opaque_domains])
+
+        if self._colors:
+            self._colors_to_xml(element)
+
+        return element
+
+    def _read_phong_attributes(self, elem):
+        """Read attributes specific to the Phong plot from an XML element"""
+        if elem.find('light_position') is not None:
+            self.light_position = get_elem_tuple(elem, 'light_position', float)
+
+        diffuse_fraction = elem.find('diffuse_fraction')
+        if diffuse_fraction is not None:
+            self.diffuse_fraction = float(diffuse_fraction.text)
+
+        if elem.find('opaque_ids') is not None:
+            self.opaque_domains = list(get_elem_tuple(elem, 'opaque_ids', int))
+
+    @classmethod
+    def from_xml_element(cls, elem):
+        """Generate plot object from an XML element
+
+        Parameters
+        ----------
+        elem : lxml.etree._Element
+            XML element
+
+        Returns
+        -------
+        openmc.WireframeRayTracePlot
+            WireframeRayTracePlot object
+
+        """
+
+        plot_id = int(elem.get("id"))
+        plot_name = get_text(elem, 'name', '')
+        plot = cls(plot_id, plot_name)
+        plot.type = "solid_raytrace"
+
+        plot._read_xml_attributes(elem)
+        plot._read_phong_attributes(elem)
+
+        # Set plot colors
         for color_elem in elem.findall("color"):
             uid = color_elem.get("id")
-            colors[uid] = get_elem_tuple(color_elem, "rgb")
-            xs[uid] = float(color_elem.get("xs"))
-
-        # Set masking information
-        mask_elem = elem.find("mask")
-        if mask_elem is not None:
-            mask_components = [int(x)
-                               for x in mask_elem.get("components").split()]
-            # TODO: set mask components (needs geometry information)
-            background = mask_elem.get("background")
-            if background is not None:
-                plot.mask_background = tuple(
-                    [int(x) for x in background.split()])
-
-        # Set universe level
-        level = elem.find("level")
-        if level is not None:
-            plot.level = int(level.text)
+            plot.colors[uid] = get_elem_tuple(color_elem, "rgb")
 
         return plot
 
@@ -1434,13 +1666,13 @@ class Plots(cv.CheckedList):
 
     Parameters
     ----------
-    plots : Iterable of openmc.Plot or openmc.ProjectionPlot
+    plots : Iterable of openmc.PlotBase
         plots to add to the collection
 
     """
 
     def __init__(self, plots=None):
-        super().__init__((Plot, ProjectionPlot), 'plots collection')
+        super().__init__(PlotBase, 'plots collection')
         self._plots_file = ET.Element("plots")
         if plots is not None:
             self += plots
@@ -1450,7 +1682,7 @@ class Plots(cv.CheckedList):
 
         Parameters
         ----------
-        plot : openmc.Plot or openmc.ProjectionPlot
+        plot : openmc.PlotBase
             Plot to append
 
         """
@@ -1582,10 +1814,14 @@ class Plots(cv.CheckedList):
         plots = cls()
         for e in elem.findall('plot'):
             plot_type = e.get('type')
-            if plot_type == 'projection':
-                plots.append(ProjectionPlot.from_xml_element(e))
-            else:
+            if plot_type == 'wireframe_raytrace':
+                plots.append(WireframeRayTracePlot.from_xml_element(e))
+            elif plot_type == 'solid_raytrace':
+                plots.append(SolidRayTracePlot.from_xml_element(e))
+            elif plot_type in ('slice', 'voxel'):
                 plots.append(Plot.from_xml_element(e))
+            else:
+                raise ValueError("Unknown plot type: {}".format(plot_type))
         return plots
 
     @classmethod
diff --git a/src/dagmc.cpp b/src/dagmc.cpp
index 52c45f21c..e24b3fbf6 100644
--- a/src/dagmc.cpp
+++ b/src/dagmc.cpp
@@ -808,15 +808,12 @@ Direction DAGSurface::normal(Position r) const
 Direction DAGSurface::reflect(Position r, Direction u, GeometryState* p) const
 {
   Expects(p);
-  p->history().reset_to_last_intersection();
-  moab::ErrorCode rval;
-  moab::EntityHandle surf = dagmc_ptr_->entity_by_index(2, dag_index_);
   double pnt[3] = {r.x, r.y, r.z};
   double dir[3];
-  rval = dagmc_ptr_->get_angle(surf, pnt, dir, &p->history());
+  moab::ErrorCode rval =
+    dagmc_ptr_->get_angle(mesh_handle(), pnt, dir, &p->history());
   MB_CHK_ERR_CONT(rval);
-  p->last_dir() = u.reflect(dir);
-  return p->last_dir();
+  return u.reflect(dir);
 }
 
 //==============================================================================
diff --git a/src/particle.cpp b/src/particle.cpp
index 4dbab3213..5b46e2e63 100644
--- a/src/particle.cpp
+++ b/src/particle.cpp
@@ -75,13 +75,6 @@ double Particle::speed() const
   }
 }
 
-void Particle::move_distance(double length)
-{
-  for (int j = 0; j < n_coord(); ++j) {
-    coord(j).r += length * coord(j).u;
-  }
-}
-
 void Particle::create_secondary(
   double wgt, Direction u, double E, ParticleType type)
 {
diff --git a/src/particle_data.cpp b/src/particle_data.cpp
index d8a5bb9d9..fef8359a3 100644
--- a/src/particle_data.cpp
+++ b/src/particle_data.cpp
@@ -15,6 +15,11 @@
 
 namespace openmc {
 
+void GeometryState::mark_as_lost(const char* message)
+{
+  fatal_error(message);
+}
+
 void GeometryState::mark_as_lost(const std::string& message)
 {
   mark_as_lost(message.c_str());
@@ -25,11 +30,6 @@ void GeometryState::mark_as_lost(const std::stringstream& message)
   mark_as_lost(message.str());
 }
 
-void GeometryState::mark_as_lost(const char* message)
-{
-  fatal_error(message);
-}
-
 void LocalCoord::rotate(const vector<double>& rotation)
 {
   r = r.rotate(rotation);
@@ -56,6 +56,40 @@ GeometryState::GeometryState()
   clear();
 }
 
+void GeometryState::advance_to_boundary_from_void()
+{
+  auto root_coord = this->coord(0);
+  const auto& root_universe = model::universes[model::root_universe];
+  boundary().reset();
+
+  for (auto c_i : root_universe->cells_) {
+    auto dist =
+      model::cells.at(c_i)->distance(root_coord.r, root_coord.u, 0, this);
+    if (dist.first < boundary().distance) {
+      boundary().distance = dist.first;
+      boundary().surface = dist.second;
+    }
+  }
+
+  // if no intersection or near-infinite intersection, reset
+  // boundary information
+  if (boundary().distance > 1e300) {
+    boundary().distance = INFTY;
+    boundary().surface = SURFACE_NONE;
+    return;
+  }
+
+  // move the particle up to (and just past) the boundary
+  move_distance(boundary().distance + TINY_BIT);
+}
+
+void GeometryState::move_distance(double length)
+{
+  for (int j = 0; j < n_coord(); ++j) {
+    coord(j).r += length * coord(j).u;
+  }
+}
+
 ParticleData::ParticleData()
 {
   zero_delayed_bank();
diff --git a/src/plot.cpp b/src/plot.cpp
index b36ed6f5d..093f89f8c 100644
--- a/src/plot.cpp
+++ b/src/plot.cpp
@@ -204,18 +204,21 @@ void read_plots_xml(pugi::xml_node root)
     int id = std::stoi(id_string);
     if (check_for_node(node, "type")) {
       std::string type_str = get_node_value(node, "type", true);
-      if (type_str == "slice")
+      if (type_str == "slice") {
         model::plots.emplace_back(
           std::make_unique<Plot>(node, Plot::PlotType::slice));
-      else if (type_str == "voxel")
+      } else if (type_str == "voxel") {
         model::plots.emplace_back(
           std::make_unique<Plot>(node, Plot::PlotType::voxel));
-      else if (type_str == "projection")
-        model::plots.emplace_back(std::make_unique<ProjectionPlot>(node));
-      else
+      } else if (type_str == "wireframe_raytrace") {
+        model::plots.emplace_back(
+          std::make_unique<WireframeRayTracePlot>(node));
+      } else if (type_str == "solid_raytrace") {
+        model::plots.emplace_back(std::make_unique<SolidRayTracePlot>(node));
+      } else {
         fatal_error(
           fmt::format("Unsupported plot type '{}' in plot {}", type_str, id));
-
+      }
       model::plot_map[model::plots.back()->id()] = model::plots.size() - 1;
     } else {
       fatal_error(fmt::format("Must specify plot type in plot {}", id));
@@ -264,8 +267,8 @@ void Plot::create_image() const
         }
         data(x, y) = colors_[model::material_map[id]];
       } // color_by if-else
-    }   // x for loop
-  }     // y for loop
+    }
+  }
 
   // draw mesh lines if present
   if (index_meshlines_mesh_ >= 0) {
@@ -1036,26 +1039,49 @@ RGBColor random_color(void)
     int(prn(&model::plotter_seed) * 255), int(prn(&model::plotter_seed) * 255)};
 }
 
-ProjectionPlot::ProjectionPlot(pugi::xml_node node) : PlottableInterface(node)
+RayTracePlot::RayTracePlot(pugi::xml_node node) : PlottableInterface(node)
 {
-  set_output_path(node);
   set_look_at(node);
   set_camera_position(node);
   set_field_of_view(node);
   set_pixels(node);
-  set_opacities(node);
   set_orthographic_width(node);
-  set_wireframe_thickness(node);
-  set_wireframe_ids(node);
-  set_wireframe_color(node);
+  set_output_path(node);
 
   if (check_for_node(node, "orthographic_width") &&
       check_for_node(node, "field_of_view"))
     fatal_error("orthographic_width and field_of_view are mutually exclusive "
                 "parameters.");
+
+  // Get centerline vector for camera-to-model. We create vectors around this
+  // that form a pixel array, and then trace rays along that.
+  auto up = up_ / up_.norm();
+  Direction looking_direction = look_at_ - camera_position_;
+  looking_direction /= looking_direction.norm();
+  if (std::abs(std::abs(looking_direction.dot(up)) - 1.0) < 1e-9)
+    fatal_error("Up vector cannot align with vector between camera position "
+                "and look_at!");
+  Direction cam_yaxis = looking_direction.cross(up);
+  cam_yaxis /= cam_yaxis.norm();
+  Direction cam_zaxis = cam_yaxis.cross(looking_direction);
+  cam_zaxis /= cam_zaxis.norm();
+
+  // Cache the camera-to-model matrix
+  camera_to_model_ = {looking_direction.x, cam_yaxis.x, cam_zaxis.x,
+    looking_direction.y, cam_yaxis.y, cam_zaxis.y, looking_direction.z,
+    cam_yaxis.z, cam_zaxis.z};
 }
 
-void ProjectionPlot::set_wireframe_color(pugi::xml_node plot_node)
+WireframeRayTracePlot::WireframeRayTracePlot(pugi::xml_node node)
+  : RayTracePlot(node)
+{
+  set_opacities(node);
+  set_wireframe_thickness(node);
+  set_wireframe_ids(node);
+  set_wireframe_color(node);
+}
+
+void WireframeRayTracePlot::set_wireframe_color(pugi::xml_node plot_node)
 {
   // Copy plot background color
   if (check_for_node(plot_node, "wireframe_color")) {
@@ -1068,7 +1094,7 @@ void ProjectionPlot::set_wireframe_color(pugi::xml_node plot_node)
   }
 }
 
-void ProjectionPlot::set_output_path(pugi::xml_node node)
+void RayTracePlot::set_output_path(pugi::xml_node node)
 {
   // Set output file path
   std::string filename;
@@ -1089,33 +1115,7 @@ void ProjectionPlot::set_output_path(pugi::xml_node node)
   path_plot_ = filename;
 }
 
-// Advances to the next boundary from outside the geometry
-// Returns -1 if no intersection found, and the surface index
-// if an intersection was found.
-int ProjectionPlot::advance_to_boundary_from_void(GeometryState& p)
-{
-  constexpr double scoot = 1e-5;
-  double min_dist = {INFINITY};
-  auto coord = p.coord(0);
-  Universe* uni = model::universes[model::root_universe].get();
-  int intersected_surface = -1;
-  for (auto c_i : uni->cells_) {
-    auto dist = model::cells.at(c_i)->distance(coord.r, coord.u, 0, &p);
-    if (dist.first < min_dist) {
-      min_dist = dist.first;
-      intersected_surface = dist.second;
-    }
-  }
-  if (min_dist > 1e300)
-    return -1;
-  else { // advance the particle
-    for (int j = 0; j < p.n_coord(); ++j)
-      p.coord(j).r += (min_dist + scoot) * p.coord(j).u;
-    return std::abs(intersected_surface);
-  }
-}
-
-bool ProjectionPlot::trackstack_equivalent(
+bool WireframeRayTracePlot::trackstack_equivalent(
   const std::vector<TrackSegment>& track1,
   const std::vector<TrackSegment>& track2) const
 {
@@ -1125,7 +1125,7 @@ bool ProjectionPlot::trackstack_equivalent(
       return false;
     for (int i = 0; i < track1.size(); ++i) {
       if (track1[i].id != track2[i].id ||
-          track1[i].surface != track2[i].surface) {
+          track1[i].surface_index != track2[i].surface_index) {
         return false;
       }
     }
@@ -1152,7 +1152,7 @@ bool ProjectionPlot::trackstack_equivalent(
         if (t1_i == track1.size() && t2_i == track2.size())
           break;
         // Check if surface different
-        if (track1[t1_i].surface != track2[t2_i].surface)
+        if (track1[t1_i].surface_index != track2[t2_i].surface_index)
           return false;
 
         // Pretty sure this should not be used:
@@ -1160,7 +1160,7 @@ bool ProjectionPlot::trackstack_equivalent(
         //     t1_i != track1.size() - 1 &&
         //     track1[t1_i+1].id != track2[t2_i+1].id) return false;
         if (t2_i != 0 && t1_i != 0 &&
-            track1[t1_i - 1].surface != track2[t2_i - 1].surface)
+            track1[t1_i - 1].surface_index != track2[t2_i - 1].surface_index)
           return false;
 
         // Check if neighboring cells are different
@@ -1176,44 +1176,58 @@ bool ProjectionPlot::trackstack_equivalent(
   }
 }
 
-void ProjectionPlot::create_output() const
+std::pair<Position, Direction> RayTracePlot::get_pixel_ray(
+  int horiz, int vert) const
 {
-  // Get centerline vector for camera-to-model. We create vectors around this
-  // that form a pixel array, and then trace rays along that.
-  auto up = up_ / up_.norm();
-  Direction looking_direction = look_at_ - camera_position_;
-  looking_direction /= looking_direction.norm();
-  if (std::abs(std::abs(looking_direction.dot(up)) - 1.0) < 1e-9)
-    fatal_error("Up vector cannot align with vector between camera position "
-                "and look_at!");
-  Direction cam_yaxis = looking_direction.cross(up);
-  cam_yaxis /= cam_yaxis.norm();
-  Direction cam_zaxis = cam_yaxis.cross(looking_direction);
-  cam_zaxis /= cam_zaxis.norm();
-
-  // Transformation matrix for directions
-  std::vector<double> camera_to_model = {looking_direction.x, cam_yaxis.x,
-    cam_zaxis.x, looking_direction.y, cam_yaxis.y, cam_zaxis.y,
-    looking_direction.z, cam_yaxis.z, cam_zaxis.z};
-
-  // Now we convert to the polar coordinate system with the polar angle
-  // measuring the angle from the vector up_. Phi is the rotation about up_. For
-  // now, up_ is hard-coded to be +z.
+  // Compute field of view in radians
   constexpr double DEGREE_TO_RADIAN = M_PI / 180.0;
   double horiz_fov_radians = horizontal_field_of_view_ * DEGREE_TO_RADIAN;
   double p0 = static_cast<double>(pixels_[0]);
   double p1 = static_cast<double>(pixels_[1]);
   double vert_fov_radians = horiz_fov_radians * p1 / p0;
-  double dphi = horiz_fov_radians / p0;
-  double dmu = vert_fov_radians / p1;
 
+  // focal_plane_dist can be changed to alter the perspective distortion
+  // effect. This is in units of cm. This seems to look good most of the
+  // time. TODO let this variable be set through XML.
+  constexpr double focal_plane_dist = 10.0;
+  const double dx = 2.0 * focal_plane_dist * std::tan(0.5 * horiz_fov_radians);
+  const double dy = p1 / p0 * dx;
+
+  std::pair<Position, Direction> result;
+
+  // Generate the starting position/direction of the ray
+  if (orthographic_width_ == C_NONE) { // perspective projection
+    Direction camera_local_vec;
+    camera_local_vec.x = focal_plane_dist;
+    camera_local_vec.y = -0.5 * dx + horiz * dx / p0;
+    camera_local_vec.z = 0.5 * dy - vert * dy / p1;
+    camera_local_vec /= camera_local_vec.norm();
+
+    result.first = camera_position_;
+    result.second = camera_local_vec.rotate(camera_to_model_);
+  } else { // orthographic projection
+
+    double x_pix_coord = (static_cast<double>(horiz) - p0 / 2.0) / p0;
+    double y_pix_coord = (static_cast<double>(vert) - p1 / 2.0) / p1;
+
+    result.first = camera_position_ +
+                   camera_y_axis() * x_pix_coord * orthographic_width_ +
+                   camera_z_axis() * y_pix_coord * orthographic_width_;
+    result.second = camera_x_axis();
+  }
+
+  return result;
+}
+
+void WireframeRayTracePlot::create_output() const
+{
   size_t width = pixels_[0];
   size_t height = pixels_[1];
   ImageData data({width, height}, not_found_);
 
-  // This array marks where the initial wireframe was drawn.
-  // We convolve it with a filter that gets adjusted with the
-  // wireframe thickness in order to thicken the lines.
+  // This array marks where the initial wireframe was drawn. We convolve it with
+  // a filter that gets adjusted with the wireframe thickness in order to
+  // thicken the lines.
   xt::xtensor<int, 2> wireframe_initial({width, height}, 0);
 
   /* Holds all of the track segments for the current rendered line of pixels.
@@ -1242,16 +1256,13 @@ void ProjectionPlot::create_output() const
     const int n_threads = num_threads();
     const int tid = thread_num();
 
-    GeometryState p;
-    p.u() = {1.0, 0.0, 0.0};
-
     int vert = tid;
     for (int iter = 0; iter <= pixels_[1] / n_threads; iter++) {
 
-      // Save bottom line of current work chunk to compare against later
-      // I used to have this inside the below if block, but it causes a
-      // spurious line to be drawn at the bottom of the image. Not sure
-      // why, but moving it here fixes things.
+      // Save bottom line of current work chunk to compare against later. This
+      // used to be inside the below if block, but it causes a spurious line to
+      // be drawn at the bottom of the image. Not sure why, but moving it here
+      // fixes things.
       if (tid == n_threads - 1)
         old_segments = this_line_segments[n_threads - 1];
 
@@ -1259,126 +1270,48 @@ void ProjectionPlot::create_output() const
 
         for (int horiz = 0; horiz < pixels_[0]; ++horiz) {
 
-          // Projection mode below decides ray starting conditions
-          Position init_r;
-          Direction init_u;
-
-          // Generate the starting position/direction of the ray
-          if (orthographic_width_ == 0.0) { // perspective projection
-            double this_phi =
-              -horiz_fov_radians / 2.0 + dphi * horiz + 0.5 * dphi;
-            double this_mu =
-              -vert_fov_radians / 2.0 + dmu * vert + M_PI / 2.0 + 0.5 * dmu;
-            Direction camera_local_vec;
-            camera_local_vec.x = std::cos(this_phi) * std::sin(this_mu);
-            camera_local_vec.y = std::sin(this_phi) * std::sin(this_mu);
-            camera_local_vec.z = std::cos(this_mu);
-            init_u = camera_local_vec.rotate(camera_to_model);
-            init_r = camera_position_;
-          } else { // orthographic projection
-            init_u = looking_direction;
-
-            double x_pix_coord = (static_cast<double>(horiz) - p0 / 2.0) / p0;
-            double y_pix_coord = (static_cast<double>(vert) - p1 / 2.0) / p0;
-
-            init_r = camera_position_;
-            init_r += cam_yaxis * x_pix_coord * orthographic_width_;
-            init_r += cam_zaxis * y_pix_coord * orthographic_width_;
-          }
-
-          // Resets internal geometry state of particle
-          p.init_from_r_u(init_r, init_u);
-
-          bool hitsomething = false;
-          bool intersection_found = true;
-          int loop_counter = 0;
+          // RayTracePlot implements camera ray generation
+          std::pair<Position, Direction> ru = get_pixel_ray(horiz, vert);
 
           this_line_segments[tid][horiz].clear();
+          ProjectionRay ray(
+            ru.first, ru.second, *this, this_line_segments[tid][horiz]);
 
-          int first_surface =
-            -1; // surface first passed when entering the model
-          bool first_inside_model = true; // false after entering the model
-          while (intersection_found) {
-            bool inside_cell = false;
-
-            int32_t i_surface = p.surface_index();
-            if (i_surface > 0 &&
-                model::surfaces[i_surface]->geom_type() == GeometryType::DAG) {
-#ifdef DAGMC
-              int32_t i_cell = next_cell(i_surface,
-                p.cell_last(p.n_coord() - 1), p.lowest_coord().universe);
-              inside_cell = i_cell >= 0;
-#else
-              fatal_error(
-                "Not compiled for DAGMC, but somehow you have a DAGCell!");
-#endif
-            } else {
-              inside_cell = exhaustive_find_cell(p);
-            }
-
-            if (inside_cell) {
-
-              // This allows drawing wireframes with surface intersection
-              // edges on the model boundary for the same cell.
-              if (first_inside_model) {
-                this_line_segments[tid][horiz].emplace_back(
-                  color_by_ == PlotColorBy::mats ? p.material()
-                                                 : p.lowest_coord().cell,
-                  0.0, first_surface);
-                first_inside_model = false;
-              }
-
-              hitsomething = true;
-              intersection_found = true;
-              auto dist = distance_to_boundary(p);
-              this_line_segments[tid][horiz].emplace_back(
-                color_by_ == PlotColorBy::mats ? p.material()
-                                               : p.lowest_coord().cell,
-                dist.distance, std::abs(dist.surface));
-
-              // Advance particle
-              for (int lev = 0; lev < p.n_coord(); ++lev) {
-                p.coord(lev).r += dist.distance * p.coord(lev).u;
-              }
-              p.surface() = dist.surface;
-              p.n_coord_last() = p.n_coord();
-              p.n_coord() = dist.coord_level;
-              if (dist.lattice_translation[0] != 0 ||
-                  dist.lattice_translation[1] != 0 ||
-                  dist.lattice_translation[2] != 0) {
-                cross_lattice(p, dist);
-              }
-
-            } else {
-              first_surface = advance_to_boundary_from_void(p);
-              intersection_found =
-                first_surface != -1; // -1 if no surface found
-            }
-            loop_counter++;
-            if (loop_counter > MAX_INTERSECTIONS)
-              fatal_error("Infinite loop in projection plot");
-          }
+          ray.trace();
 
           // Now color the pixel based on what we have intersected...
           // Loops backwards over intersections.
           Position current_color(
             not_found_.red, not_found_.green, not_found_.blue);
           const auto& segments = this_line_segments[tid][horiz];
-          for (unsigned i = segments.size(); i-- > 0;) {
+
+          // There must be at least two cell intersections to color, front and
+          // back of the cell. Maybe an infinitely thick cell could be present
+          // with no back, but why would you want to color that? It's easier to
+          // just skip that edge case and not even color it.
+          if (segments.size() <= 1)
+            continue;
+
+          for (int i = segments.size() - 2; i >= 0; --i) {
             int colormap_idx = segments[i].id;
             RGBColor seg_color = colors_[colormap_idx];
             Position seg_color_vec(
               seg_color.red, seg_color.green, seg_color.blue);
-            double mixing = std::exp(-xs_[colormap_idx] * segments[i].length);
+            double mixing =
+              std::exp(-xs_[colormap_idx] *
+                       (segments[i + 1].length - segments[i].length));
             current_color =
               current_color * mixing + (1.0 - mixing) * seg_color_vec;
-            RGBColor result;
-            result.red = static_cast<uint8_t>(current_color.x);
-            result.green = static_cast<uint8_t>(current_color.y);
-            result.blue = static_cast<uint8_t>(current_color.z);
-            data(horiz, vert) = result;
           }
 
+          // save result converting from double-precision color coordinates to
+          // byte-sized
+          RGBColor result;
+          result.red = static_cast<uint8_t>(current_color.x);
+          result.green = static_cast<uint8_t>(current_color.y);
+          result.blue = static_cast<uint8_t>(current_color.z);
+          data(horiz, vert) = result;
+
           // Check to draw wireframe in horizontal direction. No inter-thread
           // comm.
           if (horiz > 0) {
@@ -1451,9 +1384,8 @@ void ProjectionPlot::create_output() const
 #endif
 }
 
-void ProjectionPlot::print_info() const
+void RayTracePlot::print_info() const
 {
-  fmt::print("Plot Type: Projection\n");
   fmt::print("Camera position: {} {} {}\n", camera_position_.x,
     camera_position_.y, camera_position_.z);
   fmt::print("Look at: {} {} {}\n", look_at_.x, look_at_.y, look_at_.z);
@@ -1462,7 +1394,13 @@ void ProjectionPlot::print_info() const
   fmt::print("Pixels: {} {}\n", pixels_[0], pixels_[1]);
 }
 
-void ProjectionPlot::set_opacities(pugi::xml_node node)
+void WireframeRayTracePlot::print_info() const
+{
+  fmt::print("Plot Type: Wireframe ray-traced\n");
+  RayTracePlot::print_info();
+}
+
+void WireframeRayTracePlot::set_opacities(pugi::xml_node node)
 {
   xs_.resize(colors_.size(), 1e6); // set to large value for opaque by default
 
@@ -1492,7 +1430,7 @@ void ProjectionPlot::set_opacities(pugi::xml_node node)
   }
 }
 
-void ProjectionPlot::set_orthographic_width(pugi::xml_node node)
+void RayTracePlot::set_orthographic_width(pugi::xml_node node)
 {
   if (check_for_node(node, "orthographic_width")) {
     double orthographic_width =
@@ -1503,7 +1441,7 @@ void ProjectionPlot::set_orthographic_width(pugi::xml_node node)
   }
 }
 
-void ProjectionPlot::set_wireframe_thickness(pugi::xml_node node)
+void WireframeRayTracePlot::set_wireframe_thickness(pugi::xml_node node)
 {
   if (check_for_node(node, "wireframe_thickness")) {
     int wireframe_thickness =
@@ -1514,7 +1452,7 @@ void ProjectionPlot::set_wireframe_thickness(pugi::xml_node node)
   }
 }
 
-void ProjectionPlot::set_wireframe_ids(pugi::xml_node node)
+void WireframeRayTracePlot::set_wireframe_ids(pugi::xml_node node)
 {
   if (check_for_node(node, "wireframe_ids")) {
     wireframe_ids_ = get_node_array<int>(node, "wireframe_ids");
@@ -1529,7 +1467,7 @@ void ProjectionPlot::set_wireframe_ids(pugi::xml_node node)
   std::sort(wireframe_ids_.begin(), wireframe_ids_.end());
 }
 
-void ProjectionPlot::set_pixels(pugi::xml_node node)
+void RayTracePlot::set_pixels(pugi::xml_node node)
 {
   vector<int> pxls = get_node_array<int>(node, "pixels");
   if (pxls.size() != 2)
@@ -1539,19 +1477,19 @@ void ProjectionPlot::set_pixels(pugi::xml_node node)
   pixels_[1] = pxls[1];
 }
 
-void ProjectionPlot::set_camera_position(pugi::xml_node node)
+void RayTracePlot::set_camera_position(pugi::xml_node node)
 {
   vector<double> camera_pos = get_node_array<double>(node, "camera_position");
   if (camera_pos.size() != 3) {
-    fatal_error(
-      fmt::format("look_at element must have three floating point values"));
+    fatal_error(fmt::format(
+      "camera_position element must have three floating point values"));
   }
   camera_position_.x = camera_pos[0];
   camera_position_.y = camera_pos[1];
   camera_position_.z = camera_pos[2];
 }
 
-void ProjectionPlot::set_look_at(pugi::xml_node node)
+void RayTracePlot::set_look_at(pugi::xml_node node)
 {
   vector<double> look_at = get_node_array<double>(node, "look_at");
   if (look_at.size() != 3) {
@@ -1562,7 +1500,7 @@ void ProjectionPlot::set_look_at(pugi::xml_node node)
   look_at_.z = look_at[2];
 }
 
-void ProjectionPlot::set_field_of_view(pugi::xml_node node)
+void RayTracePlot::set_field_of_view(pugi::xml_node node)
 {
   // Defaults to 70 degree horizontal field of view (see .h file)
   if (check_for_node(node, "field_of_view")) {
@@ -1576,6 +1514,352 @@ void ProjectionPlot::set_field_of_view(pugi::xml_node node)
   }
 }
 
+SolidRayTracePlot::SolidRayTracePlot(pugi::xml_node node) : RayTracePlot(node)
+{
+  set_opaque_ids(node);
+  set_diffuse_fraction(node);
+  set_light_position(node);
+}
+
+void SolidRayTracePlot::print_info() const
+{
+  fmt::print("Plot Type: Solid ray-traced\n");
+  RayTracePlot::print_info();
+}
+
+void SolidRayTracePlot::create_output() const
+{
+  size_t width = pixels_[0];
+  size_t height = pixels_[1];
+  ImageData data({width, height}, not_found_);
+
+#pragma omp parallel for schedule(dynamic) collapse(2)
+  for (int horiz = 0; horiz < pixels_[0]; ++horiz) {
+    for (int vert = 0; vert < pixels_[1]; ++vert) {
+      // RayTracePlot implements camera ray generation
+      std::pair<Position, Direction> ru = get_pixel_ray(horiz, vert);
+      PhongRay ray(ru.first, ru.second, *this);
+      ray.trace();
+      data(horiz, vert) = ray.result_color();
+    }
+  }
+
+#ifdef USE_LIBPNG
+  output_png(path_plot(), data);
+#else
+  output_ppm(path_plot(), data);
+#endif
+}
+
+void SolidRayTracePlot::set_opaque_ids(pugi::xml_node node)
+{
+  if (check_for_node(node, "opaque_ids")) {
+    auto opaque_ids_tmp = get_node_array<int>(node, "opaque_ids");
+
+    // It is read in as actual ID values, but we have to convert to indices in
+    // mat/cell array
+    for (auto& x : opaque_ids_tmp)
+      x = color_by_ == PlotColorBy::mats ? model::material_map[x]
+                                         : model::cell_map[x];
+
+    opaque_ids_.insert(opaque_ids_tmp.begin(), opaque_ids_tmp.end());
+  }
+}
+
+void SolidRayTracePlot::set_light_position(pugi::xml_node node)
+{
+  if (check_for_node(node, "light_position")) {
+    auto light_pos_tmp = get_node_array<double>(node, "light_position");
+
+    if (light_pos_tmp.size() != 3)
+      fatal_error("Light position must be given as 3D coordinates");
+
+    light_location_.x = light_pos_tmp[0];
+    light_location_.y = light_pos_tmp[1];
+    light_location_.z = light_pos_tmp[2];
+  } else {
+    light_location_ = camera_position();
+  }
+}
+
+void SolidRayTracePlot::set_diffuse_fraction(pugi::xml_node node)
+{
+  if (check_for_node(node, "diffuse_fraction")) {
+    diffuse_fraction_ = std::stod(get_node_value(node, "diffuse_fraction"));
+    if (diffuse_fraction_ < 0.0 || diffuse_fraction_ > 1.0) {
+      fatal_error("Must have 0 <= diffuse fraction <= 1");
+    }
+  }
+}
+
+void Ray::compute_distance()
+{
+  boundary() = distance_to_boundary(*this);
+}
+
+void Ray::trace()
+{
+  // To trace the ray from its origin all the way through the model, we have
+  // to proceed in two phases. In the first, the ray may or may not be found
+  // inside the model. If the ray is already in the model, phase one can be
+  // skipped. Otherwise, the ray has to be advanced to the boundary of the
+  // model where all the cells are defined. Importantly, this is assuming that
+  // the model is convex, which is a very reasonable assumption for any
+  // radiation transport model.
+  //
+  // After phase one is done, we can starting tracing from cell to cell within
+  // the model. This step can use neighbor lists to accelerate the ray tracing.
+
+  // Attempt to initialize the particle. We may have to enter a loop to move
+  // it up to the edge of the model.
+  bool inside_cell = exhaustive_find_cell(*this, settings::verbosity >= 10);
+
+  // Advance to the boundary of the model
+  while (!inside_cell) {
+    advance_to_boundary_from_void();
+    inside_cell = exhaustive_find_cell(*this, settings::verbosity >= 10);
+
+    // If true this means no surface was intersected. See cell.cpp and search
+    // for numeric_limits to see where we return it.
+    if (surface() == std::numeric_limits<int>::max()) {
+      warning(fmt::format("Lost a ray, r = {}, u = {}", r(), u()));
+      return;
+    }
+
+    // Exit this loop and enter into cell-to-cell ray tracing (which uses
+    // neighbor lists)
+    if (inside_cell)
+      break;
+
+    // if there is no intersection with the model, we're done
+    if (boundary().surface == SURFACE_NONE)
+      return;
+
+    event_counter_++;
+    if (event_counter_ > MAX_INTERSECTIONS) {
+      warning("Likely infinite loop in ray traced plot");
+      return;
+    }
+  }
+
+  // Call the specialized logic for this type of ray. This is for the
+  // intersection for the first intersection if we had one.
+  if (boundary().surface != SURFACE_NONE) {
+    // set the geometry state's surface attribute to be used for
+    // surface normal computation
+    surface() = boundary().surface;
+    on_intersection();
+    if (stop_)
+      return;
+  }
+
+  // reset surface attribute to zero after the first intersection so that it
+  // doesn't perturb surface crossing logic from here on out
+  surface() = 0;
+
+  // This is the ray tracing loop within the model. It exits after exiting
+  // the model, which is equivalent to assuming that the model is convex.
+  // It would be nice to factor out the on_intersection at the end of this
+  // loop and then do "while (inside_cell)", but we can't guarantee it's
+  // on a surface in that case. There might be some other way to set it
+  // up that is perhaps a little more elegant, but this is what works just
+  // fine.
+  while (true) {
+
+    compute_distance();
+
+    // There are no more intersections to process
+    // if we hit the edge of the model, so stop
+    // the particle in that case. Also, just exit
+    // if a negative distance was somehow computed.
+    if (boundary().distance == INFTY || boundary().distance == INFINITY ||
+        boundary().distance < 0) {
+      return;
+    }
+
+    // See below comment where call_on_intersection is checked in an
+    // if statement for an explanation of this.
+    bool call_on_intersection {true};
+    if (boundary().distance < 10 * TINY_BIT) {
+      call_on_intersection = false;
+    }
+
+    // DAGMC surfaces expect us to go a little bit further than the advance
+    // distance to properly check cell inclusion.
+    boundary().distance += TINY_BIT;
+
+    // Advance particle, prepare for next intersection
+    for (int lev = 0; lev < n_coord(); ++lev) {
+      coord(lev).r += boundary().distance * coord(lev).u;
+    }
+    surface() = boundary().surface;
+    n_coord_last() = n_coord();
+    n_coord() = boundary().coord_level;
+    if (boundary().lattice_translation[0] != 0 ||
+        boundary().lattice_translation[1] != 0 ||
+        boundary().lattice_translation[2] != 0) {
+      cross_lattice(*this, boundary(), settings::verbosity >= 10);
+    }
+
+    // Record how far the ray has traveled
+    traversal_distance_ += boundary().distance;
+    inside_cell = neighbor_list_find_cell(*this, settings::verbosity >= 10);
+
+    // Call the specialized logic for this type of ray. Note that we do not
+    // call this if the advance distance is very small. Unfortunately, it seems
+    // darn near impossible to get the particle advanced to the model boundary
+    // and through it without sometimes accidentally calling on_intersection
+    // twice. This incorrectly shades the region as occluded when it might not
+    // actually be. By screening out intersection distances smaller than a
+    // threshold 10x larger than the scoot distance used to advance up to the
+    // model boundary, we can avoid that situation.
+    if (call_on_intersection) {
+      on_intersection();
+      if (stop_)
+        return;
+    }
+
+    if (!inside_cell)
+      return;
+
+    event_counter_++;
+    if (event_counter_ > MAX_INTERSECTIONS) {
+      warning("Likely infinite loop in ray traced plot");
+      return;
+    }
+  }
+}
+
+void ProjectionRay::on_intersection()
+{
+  // This records a tuple with the following info
+  //
+  // 1) ID (material or cell depending on color_by_)
+  // 2) Distance traveled by the ray through that ID
+  // 3) Index of the intersected surface (starting from 1)
+
+  line_segments_.emplace_back(
+    plot_.color_by_ == PlottableInterface::PlotColorBy::mats
+      ? material()
+      : lowest_coord().cell,
+    traversal_distance_, boundary().surface_index());
+}
+
+void PhongRay::on_intersection()
+{
+  // Check if we hit an opaque material or cell
+  int hit_id = plot_.color_by_ == PlottableInterface::PlotColorBy::mats
+                 ? material()
+                 : lowest_coord().cell;
+
+  // If we are reflected and have advanced beyond the camera,
+  // the ray is done. This is checked here because we should
+  // kill the ray even if the material is not opaque.
+  if (reflected_ && (r() - plot_.camera_position()).dot(u()) >= 0.0) {
+    stop();
+    return;
+  }
+
+  // Anything that's not opaque has zero impact on the plot.
+  if (plot_.opaque_ids_.find(hit_id) == plot_.opaque_ids_.end())
+    return;
+
+  if (!reflected_) {
+    // reflect the particle and set the color to be colored by
+    // the normal or the diffuse lighting contribution
+    reflected_ = true;
+    result_color_ = plot_.colors_[hit_id];
+    Direction to_light = plot_.light_location_ - r();
+    to_light /= to_light.norm();
+
+    // TODO
+    // Not sure what can cause a surface token to be invalid here, although it
+    // sometimes happens for a few pixels. It's very very rare, so proceed by
+    // coloring the pixel with the overlap color. It seems to happen only for a
+    // few pixels on the outer boundary of a hex lattice.
+    //
+    // We cannot detect it in the outer loop, and it only matters here, so
+    // that's why the error handling is a little different than for a lost
+    // ray.
+    if (surface() == 0) {
+      result_color_ = plot_.overlap_color_;
+      stop();
+      return;
+    }
+
+    // Get surface pointer
+    const auto& surf = model::surfaces.at(surface_index());
+
+    Direction normal = surf->normal(r_local());
+    normal /= normal.norm();
+
+    // Need to apply translations to find the normal vector in
+    // the base level universe's coordinate system.
+    for (int lev = n_coord() - 2; lev >= 0; --lev) {
+      if (coord(lev + 1).rotated) {
+        const Cell& c {*model::cells[coord(lev).cell]};
+        normal = normal.inverse_rotate(c.rotation_);
+      }
+    }
+
+    // use the normal opposed to the ray direction
+    if (normal.dot(u()) > 0.0) {
+      normal *= -1.0;
+    }
+
+    // Facing away from the light means no lighting
+    double dotprod = normal.dot(to_light);
+    dotprod = std::max(0.0, dotprod);
+
+    double modulation =
+      plot_.diffuse_fraction_ + (1.0 - plot_.diffuse_fraction_) * dotprod;
+    result_color_ *= modulation;
+
+    // Now point the particle to the camera. We now begin
+    // checking to see if it's occluded by another surface
+    u() = to_light;
+
+    orig_hit_id_ = hit_id;
+
+    // OpenMC native CSG and DAGMC surfaces have some slight differences
+    // in how they interpret particles that are sitting on a surface.
+    // I don't know exactly why, but this makes everything work beautifully.
+    if (surf->geom_type() == GeometryType::DAG) {
+      surface() = 0;
+    } else {
+      surface() = -surface(); // go to other side
+    }
+
+    // Must fully restart coordinate search. Why? Not sure.
+    clear();
+
+    // Note this could likely be faster if we cached the previous
+    // cell we were in before the reflection. This is the easiest
+    // way to fully initialize all the sub-universe coordinates and
+    // directions though.
+    bool found = exhaustive_find_cell(*this);
+    if (!found) {
+      fatal_error("Lost particle after reflection.");
+    }
+
+    // Must recalculate distance to boundary due to the
+    // direction change
+    compute_distance();
+
+  } else {
+    // If it's not facing the light, we color with the diffuse contribution, so
+    // next we check if we're going to occlude the last reflected surface. if
+    // so, color by the diffuse contribution instead
+
+    if (orig_hit_id_ == -1)
+      fatal_error("somehow a ray got reflected but not original ID set?");
+
+    result_color_ = plot_.colors_[orig_hit_id_];
+    result_color_ *= plot_.diffuse_fraction_;
+    stop();
+  }
+}
+
 extern "C" int openmc_id_map(const void* plot, int32_t* data_out)
 {
 
diff --git a/src/position.cpp b/src/position.cpp
index 5b3613b28..0361e99a0 100644
--- a/src/position.cpp
+++ b/src/position.cpp
@@ -75,13 +75,6 @@ Position Position::operator-() const
   return {-x, -y, -z};
 }
 
-Position Position::rotate(const vector<double>& rotation) const
-{
-  return {x * rotation[0] + y * rotation[1] + z * rotation[2],
-    x * rotation[3] + y * rotation[4] + z * rotation[5],
-    x * rotation[6] + y * rotation[7] + z * rotation[8]};
-}
-
 std::ostream& operator<<(std::ostream& os, Position r)
 {
   os << "(" << r.x << ", " << r.y << ", " << r.z << ")";
diff --git a/src/surface.cpp b/src/surface.cpp
index dbcaf8498..30a8d1f21 100644
--- a/src/surface.cpp
+++ b/src/surface.cpp
@@ -141,7 +141,7 @@ Direction Surface::reflect(Position r, Direction u, GeometryState* p) const
 }
 
 Direction Surface::diffuse_reflect(
-  Position r, Direction u, uint64_t* seed, GeometryState* p) const
+  Position r, Direction u, uint64_t* seed) const
 {
   // Diffuse reflect direction according to the normal.
   // cosine distribution
diff --git a/tests/regression_tests/plot_projections/plots.xml b/tests/regression_tests/plot_projections/plots.xml
index 85689da14..50d129cd9 100644
--- a/tests/regression_tests/plot_projections/plots.xml
+++ b/tests/regression_tests/plot_projections/plots.xml
@@ -1,7 +1,7 @@
 <?xml version="1.0"?>
 <plots>
 
-  <plot id="1" type="projection">
+  <plot id="1" type="wireframe_raytrace">
     <look_at>0. 0. 0.</look_at>
     <camera_position>20. 20. 20.</camera_position>
     <pixels>200 200</pixels>
@@ -11,7 +11,7 @@
     <field_of_view>70</field_of_view>
   </plot>
 
-  <plot id="2" type="projection">
+  <plot id="2" type="wireframe_raytrace">
     <look_at>0. 0. 0.</look_at>
     <camera_position>10. 10. 0.</camera_position>
     <width>25 25</width>
@@ -22,7 +22,7 @@
     <filename>example1</filename>
   </plot>
 
-  <plot id="3" color_by="material" type="projection">
+  <plot id="3" color_by="material" type="wireframe_raytrace">
     <look_at>0. 0. 0.</look_at>
     <camera_position>20. 20. 20.</camera_position>
     <pixels>200 200</pixels>
@@ -31,7 +31,7 @@
     <wireframe_ids>2</wireframe_ids>
   </plot>
 
-  <plot id="4" color_by="material" type="projection">
+  <plot id="4" color_by="material" type="wireframe_raytrace">
     <look_at>0. 0. 0.</look_at>
     <camera_position>0. 10.0 20.</camera_position>
     <pixels>200 200</pixels>
@@ -39,7 +39,7 @@
     <filename>example3.png</filename>
   </plot>
 
-  <plot id="5" type="projection">
+  <plot id="5" type="wireframe_raytrace">
     <look_at>0. 0. 0.</look_at>
     <camera_position>10. 10. 10.</camera_position>
     <width>25 25</width>
@@ -52,4 +52,39 @@
     <color id="3" rgb="255 0 0" xs="1.0"/>
   </plot>
 
+  <plot id="6" color_by="material" type="solid_raytrace">
+    <look_at>0. 0. 0.</look_at>
+    <camera_position>10. 10. 10.</camera_position>
+    <pixels>200 200</pixels>
+    <filename>phong.png</filename>
+    <opaque_ids>1 3</opaque_ids>
+    <color id="1" rgb="0 0 255"/>
+    <color id="2" rgb="0 255 0"/>
+    <color id="3" rgb="255 0 100"/>
+  </plot>
+
+  <plot id="7" color_by="material" type="solid_raytrace">
+    <look_at>0. 0. 0.</look_at>
+    <camera_position>10. 10. 10.</camera_position>
+    <diffuse_fraction>0.5</diffuse_fraction>
+    <pixels>200 200</pixels>
+    <filename>phong_diffuse.png</filename>
+    <opaque_ids>1 3</opaque_ids>
+    <color id="1" rgb="0 0 255"/>
+    <color id="2" rgb="0 255 0"/>
+    <color id="3" rgb="255 0 100"/>
+  </plot>
+
+  <plot id="8" color_by="material" type="solid_raytrace">
+    <look_at>0. 0. 0.</look_at>
+    <camera_position>10. 10. 10.</camera_position>
+    <light_position>0. 10. 10.</light_position>
+    <pixels>200 200</pixels>
+    <filename>phong_move_light.png</filename>
+    <opaque_ids>1 3</opaque_ids>
+    <color id="1" rgb="0 0 255"/>
+    <color id="2" rgb="0 255 0"/>
+    <color id="3" rgb="255 0 100"/>
+  </plot>
+
 </plots>
diff --git a/tests/regression_tests/plot_projections/results_true.dat b/tests/regression_tests/plot_projections/results_true.dat
index 1a67da300..672280fdd 100644
--- a/tests/regression_tests/plot_projections/results_true.dat
+++ b/tests/regression_tests/plot_projections/results_true.dat
@@ -1 +1 @@
-24fb0f41ee018ea086962dbd6bcd0b536d11d4b34644bfef4f0e74f8b462fe41a84af39c7ff79046d5d7cfe209084eac54712fa0ec01038e97eb43df1abd0334
\ No newline at end of file
+025804f1522eafd6e0e9566ce6b9b5603962f278de222c842fe3e06471290bb575676255bcd55e4f084bdcca4ee56d3c219827cb1ef2b5c3a90f7666986b55e9
\ No newline at end of file
diff --git a/tests/regression_tests/plot_projections/test.py b/tests/regression_tests/plot_projections/test.py
index cf18503f4..37a6ecf28 100644
--- a/tests/regression_tests/plot_projections/test.py
+++ b/tests/regression_tests/plot_projections/test.py
@@ -2,5 +2,8 @@ from tests.testing_harness import PlotTestHarness
 from tests.regression_tests import config
 
 def test_plot():
-    harness = PlotTestHarness(('plot_1.png', 'example1.png', 'example2.png', 'example3.png', 'orthographic_example1.png'))
+    harness = PlotTestHarness(('plot_1.png', 'example1.png', 'example2.png',
+                               'example3.png', 'orthographic_example1.png',
+                               'phong.png', 'phong_diffuse.png',
+                               'phong_move_light.png'))
     harness.main()
diff --git a/tests/unit_tests/test_plots.py b/tests/unit_tests/test_plots.py
index 4efc12c93..fad574ee6 100644
--- a/tests/unit_tests/test_plots.py
+++ b/tests/unit_tests/test_plots.py
@@ -4,6 +4,8 @@ import openmc
 import openmc.examples
 import pytest
 
+from openmc.plots import _SVG_COLORS
+
 
 @pytest.fixture(scope='module')
 def myplot():
@@ -42,7 +44,7 @@ def myplot():
 
 @pytest.fixture(scope='module')
 def myprojectionplot():
-    plot = openmc.ProjectionPlot(name='myprojectionplot')
+    plot = openmc.WireframeRayTracePlot(name='myprojectionplot')
     plot.look_at = (0.0, 0.0, 0.0)
     plot.camera_position = (4.0, 3.0, 0.0)
     plot.pixels = (500, 500)
@@ -118,6 +120,31 @@ def test_repr_proj(myprojectionplot):
     assert isinstance(r, str)
 
 
+def test_projection_plot_roundtrip(myprojectionplot):
+
+    elem = myprojectionplot.to_xml_element()
+
+    xml_plot = openmc.WireframeRayTracePlot.from_xml_element(elem)
+
+    svg_colors = _SVG_COLORS
+
+    assert xml_plot.name == myprojectionplot.name
+    assert xml_plot.look_at == myprojectionplot.look_at
+    assert xml_plot.camera_position == myprojectionplot.camera_position
+    assert xml_plot.pixels == myprojectionplot.pixels
+    assert xml_plot.filename == myprojectionplot.filename
+    assert xml_plot.background == svg_colors[myprojectionplot.background]
+    assert xml_plot.color_by == myprojectionplot.color_by
+    expected_colors = {m.id: svg_colors[c] for m, c in myprojectionplot.colors.items()}
+    assert xml_plot.colors == expected_colors
+    # TODO: needs geometry information
+    # assert xml_plot.mask_components == myprojectionplot.mask_components
+    assert xml_plot.mask_background == svg_colors[myprojectionplot.mask_background]
+    # assert xml_plot.overlap_color == svg_colors[myprojectionplot.overlap_color]
+    assert xml_plot.wireframe_thickness == myprojectionplot.wireframe_thickness
+    assert xml_plot.level == myprojectionplot.level
+
+
 def test_from_geometry():
     width = 25.
     s = openmc.Sphere(r=width/2, boundary_type='vacuum')
@@ -182,7 +209,7 @@ def test_plots(run_in_tmpdir):
     plots = openmc.Plots([p1, p2])
     assert len(plots) == 2
 
-    p3 = openmc.ProjectionPlot(name='plot3')
+    p3 = openmc.WireframeRayTracePlot(name='plot3')
     plots = openmc.Plots([p1, p2, p3])
     assert len(plots) == 3
 
@@ -223,6 +250,41 @@ def test_voxel_plot_roundtrip():
     assert new_plot.color_by == plot.color_by
 
 
+def test_phong_plot_roundtrip():
+    plot = openmc.SolidRayTracePlot(name='my phong plot')
+    plot.id = 2300
+    plot.filename = 'phong1'
+    plot.pixels = (50, 50)
+    plot.look_at = (11., 12., 13.)
+    plot.camera_position = (22., 23., 24.)
+    plot.diffuse_fraction = 0.5
+    plot.horizontal_field_of_view = 90.0
+    plot.color_by = 'material'
+    plot.light_position = (8., 9., 10.)
+    plot.opaque_domains = [6, 7, 8]
+
+    elem = plot.to_xml_element()
+
+    repr(plot)
+
+    new_plot = openmc.SolidRayTracePlot.from_xml_element(elem)
+
+    assert new_plot.name == plot.name
+    assert new_plot.id == plot.id
+    assert new_plot.filename == plot.filename
+    assert new_plot.pixels == plot.pixels
+    assert new_plot.look_at == plot.look_at
+    assert new_plot.camera_position == plot.camera_position
+    assert new_plot.diffuse_fraction == plot.diffuse_fraction
+    assert new_plot.horizontal_field_of_view == plot.horizontal_field_of_view
+    assert new_plot.color_by == plot.color_by
+    assert new_plot.light_position == plot.light_position
+    assert new_plot.opaque_domains == plot.opaque_domains
+
+    # ensure the new object is valid to re-write to XML
+    new_elem = new_plot.to_xml_element()
+
+
 def test_plot_directory(run_in_tmpdir):
     pwr_pin = openmc.examples.pwr_pin_cell()
 

From 3011a14a1339299526c7adb6343854c911c577ed Mon Sep 17 00:00:00 2001
From: John Tramm <john.tramm@gmail.com>
Date: Tue, 18 Feb 2025 17:38:59 -0600
Subject: [PATCH 2243/2654] Random Ray Explicit Void Treatment (#3299)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 include/openmc/random_ray/random_ray.h        |   2 +
 include/openmc/random_ray/source_region.h     |  76 ++++--
 src/random_ray/flat_source_domain.cpp         | 120 +++++++--
 src/random_ray/linear_source_domain.cpp       |  16 +-
 src/random_ray/random_ray.cpp                 | 182 ++++++++++++-
 src/random_ray/random_ray_simulation.cpp      |  17 ++
 src/random_ray/source_region.cpp              |   6 +
 .../random_ray_void/__init__.py               |   0
 .../random_ray_void/flat/inputs_true.dat      | 245 ++++++++++++++++++
 .../random_ray_void/flat/results_true.dat     |   9 +
 .../random_ray_void/linear/inputs_true.dat    | 245 ++++++++++++++++++
 .../random_ray_void/linear/results_true.dat   |   9 +
 .../regression_tests/random_ray_void/test.py  |  72 +++++
 13 files changed, 947 insertions(+), 52 deletions(-)
 create mode 100644 tests/regression_tests/random_ray_void/__init__.py
 create mode 100644 tests/regression_tests/random_ray_void/flat/inputs_true.dat
 create mode 100644 tests/regression_tests/random_ray_void/flat/results_true.dat
 create mode 100644 tests/regression_tests/random_ray_void/linear/inputs_true.dat
 create mode 100644 tests/regression_tests/random_ray_void/linear/results_true.dat
 create mode 100644 tests/regression_tests/random_ray_void/test.py

diff --git a/include/openmc/random_ray/random_ray.h b/include/openmc/random_ray/random_ray.h
index 96c38da7b..4325a6420 100644
--- a/include/openmc/random_ray/random_ray.h
+++ b/include/openmc/random_ray/random_ray.h
@@ -27,7 +27,9 @@ public:
   void event_advance_ray();
   void attenuate_flux(double distance, bool is_active);
   void attenuate_flux_flat_source(double distance, bool is_active);
+  void attenuate_flux_flat_source_void(double distance, bool is_active);
   void attenuate_flux_linear_source(double distance, bool is_active);
+  void attenuate_flux_linear_source_void(double distance, bool is_active);
 
   void initialize_ray(uint64_t ray_id, FlatSourceDomain* domain);
   uint64_t transport_history_based_single_ray();
diff --git a/include/openmc/random_ray/source_region.h b/include/openmc/random_ray/source_region.h
index 0dc617a64..e41d6b824 100644
--- a/include/openmc/random_ray/source_region.h
+++ b/include/openmc/random_ray/source_region.h
@@ -91,37 +91,61 @@ public:
   //----------------------------------------------------------------------------
   // Public Data members
 
+  //---------------------------------------
   // Scalar fields
-  int material_ {0};
+
+  int material_ {0}; //!< Index in openmc::model::materials array
   OpenMPMutex lock_;
-  double volume_ {0.0};
-  double volume_t_ {0.0};
-  double volume_naive_ {0.0};
-  int position_recorded_ {0};
-  int external_source_present_ {0};
-  Position position_ {0.0, 0.0, 0.0};
-  Position centroid_ {0.0, 0.0, 0.0};
-  Position centroid_iteration_ {0.0, 0.0, 0.0};
-  Position centroid_t_ {0.0, 0.0, 0.0};
-  MomentMatrix mom_matrix_ {0.0, 0.0, 0.0, 0.0, 0.0, 0.0};
-  MomentMatrix mom_matrix_t_ {0.0, 0.0, 0.0, 0.0, 0.0, 0.0};
+  double volume_ {
+    0.0}; //!< Volume (computed from the sum of ray crossing lengths)
+  double volume_t_ {0.0};     //!< Volume totaled over all iterations
+  double volume_sq_ {0.0};    //!< Volume squared
+  double volume_sq_t_ {0.0};  //!< Volume squared totaled over all iterations
+  double volume_naive_ {0.0}; //!< Volume as integrated from this iteration only
+  int position_recorded_ {0}; //!< Has the position been recorded yet?
+  int external_source_present_ {
+    0}; //!< Is an external source present in this region?
+  Position position_ {
+    0.0, 0.0, 0.0}; //!< A position somewhere inside the region
+  Position centroid_ {0.0, 0.0, 0.0}; //!< The centroid
+  Position centroid_iteration_ {
+    0.0, 0.0, 0.0}; //!< The centroid integrated from this iteration only
+  Position centroid_t_ {
+    0.0, 0.0, 0.0}; //!< The centroid accumulated over all iterations
+  MomentMatrix mom_matrix_ {
+    0.0, 0.0, 0.0, 0.0, 0.0, 0.0}; //!< The spatial moment matrix
+  MomentMatrix mom_matrix_t_ {0.0, 0.0, 0.0, 0.0, 0.0,
+    0.0}; //!< The spatial moment matrix accumulated over all iterations
+
   // A set of volume tally tasks. This more complicated data structure is
   // convenient for ensuring that volumes are only tallied once per source
   // region, regardless of how many energy groups are used for tallying.
   std::unordered_set<TallyTask, TallyTask::HashFunctor> volume_task_;
 
+  //---------------------------------------
   // Energy group-wise 1D arrays
-  vector<double> scalar_flux_old_;
-  vector<double> scalar_flux_new_;
-  vector<float> source_;
-  vector<float> external_source_;
-  vector<double> scalar_flux_final_;
 
-  vector<MomentArray> source_gradients_;
-  vector<MomentArray> flux_moments_old_;
-  vector<MomentArray> flux_moments_new_;
-  vector<MomentArray> flux_moments_t_;
+  vector<double>
+    scalar_flux_old_; //!< The scalar flux from the previous iteration
+  vector<double>
+    scalar_flux_new_; //!< The scalar flux from the current iteration
+  vector<float>
+    source_; //!< The total source term (fission + scattering + external)
+  vector<float> external_source_;    //!< The external source term
+  vector<double> scalar_flux_final_; //!< The scalar flux accumulated over all
+                                     //!< active iterations (used for plotting,
+                                     //!< or computing adjoint sources)
 
+  vector<MomentArray> source_gradients_; //!< The linear source gradients
+  vector<MomentArray>
+    flux_moments_old_; //!< The linear flux moments from the previous iteration
+  vector<MomentArray>
+    flux_moments_new_; //!< The linear flux moments from the current iteration
+  vector<MomentArray>
+    flux_moments_t_; //!< The linear flux moments accumulated over all active
+                     //!< iterations (used for plotting)
+
+  //---------------------------------------
   // 2D array representing values for all energy groups x tally
   // tasks. Each group may have a different number of tally tasks
   // associated with it, necessitating the use of a jagged array.
@@ -152,6 +176,12 @@ public:
   double& volume_t(int64_t sr) { return volume_t_[sr]; }
   const double& volume_t(int64_t sr) const { return volume_t_[sr]; }
 
+  double& volume_sq(int64_t sr) { return volume_sq_[sr]; }
+  const double& volume_sq(int64_t sr) const { return volume_sq_[sr]; }
+
+  double& volume_sq_t(int64_t sr) { return volume_sq_t_[sr]; }
+  const double& volume_sq_t(int64_t sr) const { return volume_sq_t_[sr]; }
+
   double& volume_naive(int64_t sr) { return volume_naive_[sr]; }
   const double& volume_naive(int64_t sr) const { return volume_naive_[sr]; }
 
@@ -355,6 +385,8 @@ private:
   vector<OpenMPMutex> lock_;
   vector<double> volume_;
   vector<double> volume_t_;
+  vector<double> volume_sq_;
+  vector<double> volume_sq_t_;
   vector<double> volume_naive_;
   vector<int> position_recorded_;
   vector<int> external_source_present_;
@@ -397,4 +429,4 @@ private:
 
 } // namespace openmc
 
-#endif // OPENMC_RANDOM_RAY_SOURCE_REGION_H
\ No newline at end of file
+#endif // OPENMC_RANDOM_RAY_SOURCE_REGION_H
diff --git a/src/random_ray/flat_source_domain.cpp b/src/random_ray/flat_source_domain.cpp
index 098fd17b0..cfe747eec 100644
--- a/src/random_ray/flat_source_domain.cpp
+++ b/src/random_ray/flat_source_domain.cpp
@@ -94,6 +94,7 @@ void FlatSourceDomain::batch_reset()
 #pragma omp parallel for
   for (int64_t sr = 0; sr < n_source_regions_; sr++) {
     source_regions_.volume(sr) = 0.0;
+    source_regions_.volume_sq(sr) = 0.0;
   }
 #pragma omp parallel for
   for (int64_t se = 0; se < n_source_elements_; se++) {
@@ -118,11 +119,19 @@ void FlatSourceDomain::update_neutron_source(double k_eff)
 
   double inverse_k_eff = 1.0 / k_eff;
 
+// Reset all source regions to zero (important for void regions)
+#pragma omp parallel for
+  for (int64_t se = 0; se < n_source_elements_; se++) {
+    source_regions_.source(se) = 0.0;
+  }
+
   // Add scattering + fission source
 #pragma omp parallel for
   for (int64_t sr = 0; sr < n_source_regions_; sr++) {
     int material = source_regions_.material(sr);
-
+    if (material == MATERIAL_VOID) {
+      continue;
+    }
     for (int g_out = 0; g_out < negroups_; g_out++) {
       double sigma_t = sigma_t_[material * negroups_ + g_out];
       double scatter_source = 0.0;
@@ -174,8 +183,12 @@ void FlatSourceDomain::normalize_scalar_flux_and_volumes(
 #pragma omp parallel for
   for (int64_t sr = 0; sr < n_source_regions_; sr++) {
     source_regions_.volume_t(sr) += source_regions_.volume(sr);
+    source_regions_.volume_sq_t(sr) += source_regions_.volume_sq(sr);
     source_regions_.volume_naive(sr) =
       source_regions_.volume(sr) * normalization_factor;
+    source_regions_.volume_sq(sr) =
+      (source_regions_.volume_sq_t(sr) / source_regions_.volume_t(sr)) *
+      volume_normalization_factor;
     source_regions_.volume(sr) =
       source_regions_.volume_t(sr) * volume_normalization_factor;
   }
@@ -184,9 +197,17 @@ void FlatSourceDomain::normalize_scalar_flux_and_volumes(
 void FlatSourceDomain::set_flux_to_flux_plus_source(
   int64_t sr, double volume, int g)
 {
-  double sigma_t = sigma_t_[source_regions_.material(sr) * negroups_ + g];
-  source_regions_.scalar_flux_new(sr, g) /= (sigma_t * volume);
-  source_regions_.scalar_flux_new(sr, g) += source_regions_.source(sr, g);
+  int material = source_regions_.material(sr);
+  if (material == MATERIAL_VOID) {
+    source_regions_.scalar_flux_new(sr, g) /= volume;
+    source_regions_.scalar_flux_new(sr, g) +=
+      0.5f * source_regions_.external_source(sr, g) *
+      source_regions_.volume_sq(sr);
+  } else {
+    double sigma_t = sigma_t_[source_regions_.material(sr) * negroups_ + g];
+    source_regions_.scalar_flux_new(sr, g) /= (sigma_t * volume);
+    source_regions_.scalar_flux_new(sr, g) += source_regions_.source(sr, g);
+  }
 }
 
 void FlatSourceDomain::set_flux_to_old_flux(int64_t sr, int g)
@@ -296,6 +317,9 @@ double FlatSourceDomain::compute_k_eff(double k_eff_old) const
     }
 
     int material = source_regions_.material(sr);
+    if (material == MATERIAL_VOID) {
+      continue;
+    }
 
     double sr_fission_source_old = 0;
     double sr_fission_source_new = 0;
@@ -499,7 +523,13 @@ double FlatSourceDomain::compute_fixed_source_normalization_factor() const
     int material = source_regions_.material(sr);
     double volume = source_regions_.volume(sr) * simulation_volume_;
     for (int g = 0; g < negroups_; g++) {
-      double sigma_t = sigma_t_[material * negroups_ + g];
+      // For non-void regions, we store the external source pre-divided by
+      // sigma_t. We need to multiply non-void regions back up by sigma_t
+      // to get the total source strength in the expected units.
+      double sigma_t = 1.0;
+      if (material != MATERIAL_VOID) {
+        sigma_t = sigma_t_[material * negroups_ + g];
+      }
       simulation_external_source_strength +=
         source_regions_.external_source(sr, g) * sigma_t * volume;
     }
@@ -561,7 +591,7 @@ void FlatSourceDomain::random_ray_tally()
 
       // Determine numerical score value
       for (auto& task : source_regions_.tally_task(sr, g)) {
-        double score;
+        double score = 0.0;
         switch (task.score_type) {
 
         case SCORE_FLUX:
@@ -569,15 +599,21 @@ void FlatSourceDomain::random_ray_tally()
           break;
 
         case SCORE_TOTAL:
-          score = flux * volume * sigma_t_[material * negroups_ + g];
+          if (material != MATERIAL_VOID) {
+            score = flux * volume * sigma_t_[material * negroups_ + g];
+          }
           break;
 
         case SCORE_FISSION:
-          score = flux * volume * sigma_f_[material * negroups_ + g];
+          if (material != MATERIAL_VOID) {
+            score = flux * volume * sigma_f_[material * negroups_ + g];
+          }
           break;
 
         case SCORE_NU_FISSION:
-          score = flux * volume * nu_sigma_f_[material * negroups_ + g];
+          if (material != MATERIAL_VOID) {
+            score = flux * volume * nu_sigma_f_[material * negroups_ + g];
+          }
           break;
 
         case SCORE_EVENTS:
@@ -800,21 +836,37 @@ void FlatSourceDomain::output_to_vtk() const
     }
 
     // Plot fission source
-    std::fprintf(plot, "SCALARS total_fission_source float\n");
-    std::fprintf(plot, "LOOKUP_TABLE default\n");
-    for (int i = 0; i < Nx * Ny * Nz; i++) {
-      int64_t fsr = voxel_indices[i];
+    if (settings::run_mode == RunMode::EIGENVALUE) {
+      std::fprintf(plot, "SCALARS total_fission_source float\n");
+      std::fprintf(plot, "LOOKUP_TABLE default\n");
+      for (int i = 0; i < Nx * Ny * Nz; i++) {
+        int64_t fsr = voxel_indices[i];
 
-      float total_fission = 0.0;
-      int mat = source_regions_.material(fsr);
-      for (int g = 0; g < negroups_; g++) {
-        int64_t source_element = fsr * negroups_ + g;
-        float flux = evaluate_flux_at_point(voxel_positions[i], fsr, g);
-        double sigma_f = sigma_f_[mat * negroups_ + g];
-        total_fission += sigma_f * flux;
+        float total_fission = 0.0;
+        int mat = source_regions_.material(fsr);
+        if (mat != MATERIAL_VOID) {
+          for (int g = 0; g < negroups_; g++) {
+            int64_t source_element = fsr * negroups_ + g;
+            float flux = evaluate_flux_at_point(voxel_positions[i], fsr, g);
+            double sigma_f = sigma_f_[mat * negroups_ + g];
+            total_fission += sigma_f * flux;
+          }
+        }
+        total_fission = convert_to_big_endian<float>(total_fission);
+        std::fwrite(&total_fission, sizeof(float), 1, plot);
+      }
+    } else {
+      std::fprintf(plot, "SCALARS external_source float\n");
+      std::fprintf(plot, "LOOKUP_TABLE default\n");
+      for (int i = 0; i < Nx * Ny * Nz; i++) {
+        int64_t fsr = voxel_indices[i];
+        float total_external = 0.0f;
+        for (int g = 0; g < negroups_; g++) {
+          total_external += source_regions_.external_source(fsr, g);
+        }
+        total_external = convert_to_big_endian<float>(total_external);
+        std::fwrite(&total_external, sizeof(float), 1, plot);
       }
-      total_fission = convert_to_big_endian<float>(total_fission);
-      std::fwrite(&total_fission, sizeof(float), 1, plot);
     }
 
     std::fclose(plot);
@@ -847,7 +899,12 @@ void FlatSourceDomain::apply_external_source_to_cell_instances(int32_t i_cell,
 
   for (int j : instances) {
     int cell_material_idx = cell.material(j);
-    int cell_material_id = model::materials[cell_material_idx]->id();
+    int cell_material_id;
+    if (cell_material_idx == MATERIAL_VOID) {
+      cell_material_id = MATERIAL_VOID;
+    } else {
+      cell_material_id = model::materials[cell_material_idx]->id();
+    }
     if (target_material_id == C_NONE ||
         cell_material_id == target_material_id) {
       int64_t source_region = source_region_offsets_[i_cell] + j;
@@ -930,8 +987,12 @@ void FlatSourceDomain::convert_external_sources()
 // iteration)
 #pragma omp parallel for
   for (int64_t sr = 0; sr < n_source_regions_; sr++) {
+    int material = source_regions_.material(sr);
+    if (material == MATERIAL_VOID) {
+      continue;
+    }
     for (int g = 0; g < negroups_; g++) {
-      double sigma_t = sigma_t_[source_regions_.material(sr) * negroups_ + g];
+      double sigma_t = sigma_t_[material * negroups_ + g];
       source_regions_.external_source(sr, g) /= sigma_t;
     }
   }
@@ -994,8 +1055,11 @@ void FlatSourceDomain::set_adjoint_sources(const vector<double>& forward_flux)
   // The forward flux is given in terms of total for the forward simulation
   // so we must convert it to a "per batch" quantity
 #pragma omp parallel for
-  for (int64_t se = 0; se < n_source_elements_; se++) {
-    source_regions_.external_source(se) = 1.0 / forward_flux[se];
+  for (int64_t sr = 0; sr < n_source_regions_; sr++) {
+    for (int g = 0; g < negroups_; g++) {
+      source_regions_.external_source(sr, g) =
+        1.0 / forward_flux[sr * negroups_ + g];
+    }
   }
 
   // Divide the fixed source term by sigma t (to save time when applying each
@@ -1003,6 +1067,10 @@ void FlatSourceDomain::set_adjoint_sources(const vector<double>& forward_flux)
 #pragma omp parallel for
   for (int64_t sr = 0; sr < n_source_regions_; sr++) {
     for (int g = 0; g < negroups_; g++) {
+      int material = source_regions_.material(sr);
+      if (material == MATERIAL_VOID) {
+        continue;
+      }
       double sigma_t = sigma_t_[source_regions_.material(sr) * negroups_ + g];
       source_regions_.external_source(sr, g) /= sigma_t;
     }
diff --git a/src/random_ray/linear_source_domain.cpp b/src/random_ray/linear_source_domain.cpp
index fb6502a3e..75d078d1b 100644
--- a/src/random_ray/linear_source_domain.cpp
+++ b/src/random_ray/linear_source_domain.cpp
@@ -43,6 +43,9 @@ void LinearSourceDomain::update_neutron_source(double k_eff)
 #pragma omp parallel for
   for (int64_t sr = 0; sr < n_source_regions_; sr++) {
     int material = source_regions_.material(sr);
+    if (material == MATERIAL_VOID) {
+      continue;
+    }
     MomentMatrix invM = source_regions_.mom_matrix(sr).inverse();
 
     for (int g_out = 0; g_out < negroups_; g_out++) {
@@ -118,10 +121,14 @@ void LinearSourceDomain::normalize_scalar_flux_and_volumes(
     source_regions_.centroid_t(sr) += source_regions_.centroid_iteration(sr);
     source_regions_.mom_matrix_t(sr) += source_regions_.mom_matrix(sr);
     source_regions_.volume_t(sr) += source_regions_.volume(sr);
+    source_regions_.volume_sq_t(sr) += source_regions_.volume_sq(sr);
     source_regions_.volume_naive(sr) =
       source_regions_.volume(sr) * normalization_factor;
     source_regions_.volume(sr) =
       source_regions_.volume_t(sr) * volume_normalization_factor;
+    source_regions_.volume_sq(sr) =
+      (source_regions_.volume_sq_t(sr) / source_regions_.volume_t(sr)) *
+      volume_normalization_factor;
     if (source_regions_.volume_t(sr) > 0.0) {
       double inv_volume = 1.0 / source_regions_.volume_t(sr);
       source_regions_.centroid(sr) = source_regions_.centroid_t(sr);
@@ -135,8 +142,13 @@ void LinearSourceDomain::normalize_scalar_flux_and_volumes(
 void LinearSourceDomain::set_flux_to_flux_plus_source(
   int64_t sr, double volume, int g)
 {
-  source_regions_.scalar_flux_new(sr, g) /= volume;
-  source_regions_.scalar_flux_new(sr, g) += source_regions_.source(sr, g);
+  int material = source_regions_.material(sr);
+  if (material == MATERIAL_VOID) {
+    FlatSourceDomain::set_flux_to_flux_plus_source(sr, volume, g);
+  } else {
+    source_regions_.scalar_flux_new(sr, g) /= volume;
+    source_regions_.scalar_flux_new(sr, g) += source_regions_.source(sr, g);
+  }
   source_regions_.flux_moments_new(sr, g) *= (1.0 / volume);
 }
 
diff --git a/src/random_ray/random_ray.cpp b/src/random_ray/random_ray.cpp
index 9c2a890ec..a8a827775 100644
--- a/src/random_ray/random_ray.cpp
+++ b/src/random_ray/random_ray.cpp
@@ -274,13 +274,22 @@ void RandomRay::event_advance_ray()
 
 void RandomRay::attenuate_flux(double distance, bool is_active)
 {
+
   switch (source_shape_) {
   case RandomRaySourceShape::FLAT:
-    attenuate_flux_flat_source(distance, is_active);
+    if (this->material() == MATERIAL_VOID) {
+      attenuate_flux_flat_source_void(distance, is_active);
+    } else {
+      attenuate_flux_flat_source(distance, is_active);
+    }
     break;
   case RandomRaySourceShape::LINEAR:
   case RandomRaySourceShape::LINEAR_XY:
-    attenuate_flux_linear_source(distance, is_active);
+    if (this->material() == MATERIAL_VOID) {
+      attenuate_flux_linear_source_void(distance, is_active);
+    } else {
+      attenuate_flux_linear_source(distance, is_active);
+    }
     break;
   default:
     fatal_error("Unknown source shape for random ray transport.");
@@ -355,6 +364,56 @@ void RandomRay::attenuate_flux_flat_source(double distance, bool is_active)
   }
 }
 
+// Alternative flux attenuation function for true void regions.
+void RandomRay::attenuate_flux_flat_source_void(double distance, bool is_active)
+{
+  // The number of geometric intersections is counted for reporting purposes
+  n_event()++;
+
+  // Determine source region index etc.
+  int i_cell = lowest_coord().cell;
+
+  // The source region is the spatial region index
+  int64_t sr = domain_->source_region_offsets_[i_cell] + cell_instance();
+
+  // If ray is in the active phase (not in dead zone), make contributions to
+  // source region bookkeeping
+  if (is_active) {
+
+    // Aquire lock for source region
+    domain_->source_regions_.lock(sr).lock();
+
+    // Accumulate delta psi into new estimate of source region flux for
+    // this iteration
+    for (int g = 0; g < negroups_; g++) {
+      domain_->source_regions_.scalar_flux_new(sr, g) +=
+        angular_flux_[g] * distance;
+    }
+
+    // Accomulate volume (ray distance) into this iteration's estimate
+    // of the source region's volume
+    domain_->source_regions_.volume(sr) += distance;
+    domain_->source_regions_.volume_sq(sr) += distance * distance;
+
+    // Tally valid position inside the source region (e.g., midpoint of
+    // the ray) if not done already
+    if (!domain_->source_regions_.position_recorded(sr)) {
+      Position midpoint = r() + u() * (distance / 2.0);
+      domain_->source_regions_.position(sr) = midpoint;
+      domain_->source_regions_.position_recorded(sr) = 1;
+    }
+
+    // Release lock
+    domain_->source_regions_.lock(sr).unlock();
+  }
+
+  // Add source to incoming angular flux, assuming void region
+  for (int g = 0; g < negroups_; g++) {
+    angular_flux_[g] +=
+      domain_->source_regions_.external_source(sr, g) * distance;
+  }
+}
+
 void RandomRay::attenuate_flux_linear_source(double distance, bool is_active)
 {
   // Cast domain to LinearSourceDomain
@@ -492,6 +551,125 @@ void RandomRay::attenuate_flux_linear_source(double distance, bool is_active)
   }
 }
 
+// If traveling through a void region, the source term is either zero
+// or an external source. As all external sources are currently assumed
+// to be flat, we don't really need this function and could instead just call
+// the "attenuate_flux_flat_source_void" function and get the same numerical and
+// tally results. However, computation of the flux moments in void regions is
+// nonetheless useful as this information is still used by the plotter when
+// estimating the flux at specific pixel coordinates. Thus, plots will look
+// nicer/more accurate if we record flux moments, so this function is useful.
+void RandomRay::attenuate_flux_linear_source_void(
+  double distance, bool is_active)
+{
+  // Cast domain to LinearSourceDomain
+  LinearSourceDomain* domain = dynamic_cast<LinearSourceDomain*>(domain_);
+  if (!domain) {
+    fatal_error("RandomRay::attenuate_flux_linear_source() called with "
+                "non-LinearSourceDomain domain.");
+  }
+
+  // The number of geometric intersections is counted for reporting purposes
+  n_event()++;
+
+  // Determine source region index etc.
+  int i_cell = lowest_coord().cell;
+
+  // The source region is the spatial region index
+  int64_t sr = domain_->source_region_offsets_[i_cell] + cell_instance();
+
+  Position& centroid = domain_->source_regions_.centroid(sr);
+  Position midpoint = r() + u() * (distance / 2.0);
+
+  // Determine the local position of the midpoint and the ray origin
+  // relative to the source region's centroid
+  Position rm_local;
+  Position r0_local;
+
+  // In the first few iterations of the simulation, the source region
+  // may not yet have had any ray crossings, in which case there will
+  // be no estimate of its centroid. We detect this by checking if it has
+  // any accumulated volume. If its volume is zero, just use the midpoint
+  // of the ray as the region's centroid.
+  if (domain_->source_regions_.volume_t(sr)) {
+    rm_local = midpoint - centroid;
+    r0_local = r() - centroid;
+  } else {
+    rm_local = {0.0, 0.0, 0.0};
+    r0_local = -u() * 0.5 * distance;
+  }
+  double distance_2 = distance * distance;
+
+  // Compared to linear flux attenuation through solid regions,
+  // transport through a void region is greatly simplified. Here we
+  // compute the updated flux moments.
+  for (int g = 0; g < negroups_; g++) {
+    float spatial_source = domain_->source_regions_.source(sr, g);
+    float new_delta_psi = (angular_flux_[g] - spatial_source) * distance;
+    float h1 = 0.5f;
+    h1 = h1 * angular_flux_[g];
+    h1 = h1 * distance_2;
+    spatial_source = spatial_source * distance + new_delta_psi;
+
+    // Store contributions for this group into arrays, so that they can
+    // be accumulated into the source region's estimates inside of the locked
+    // region.
+    delta_moments_[g] = r0_local * spatial_source + u() * h1;
+
+    // If 2D mode is enabled, the z-component of the flux moments is forced
+    // to zero
+    if (source_shape_ == RandomRaySourceShape::LINEAR_XY) {
+      delta_moments_[g].z = 0.0;
+    }
+  }
+
+  // If ray is in the active phase (not in dead zone), make contributions to
+  // source region bookkeeping
+  if (is_active) {
+    // Compute an estimate of the spatial moments matrix for the source
+    // region based on parameters from this ray's crossing
+    MomentMatrix moment_matrix_estimate;
+    moment_matrix_estimate.compute_spatial_moments_matrix(
+      rm_local, u(), distance);
+
+    // Aquire lock for source region
+    domain_->source_regions_.lock(sr).lock();
+
+    // Accumulate delta psi into new estimate of source region flux for
+    // this iteration, and update flux momements
+    for (int g = 0; g < negroups_; g++) {
+      domain_->source_regions_.scalar_flux_new(sr, g) +=
+        angular_flux_[g] * distance;
+      domain_->source_regions_.flux_moments_new(sr, g) += delta_moments_[g];
+    }
+
+    // Accumulate the volume (ray segment distance), centroid, and spatial
+    // momement estimates into the running totals for the iteration for this
+    // source region. The centroid and spatial momements estimates are scaled by
+    // the ray segment length as part of length averaging of the estimates.
+    domain_->source_regions_.volume(sr) += distance;
+    domain_->source_regions_.centroid_iteration(sr) += midpoint * distance;
+    moment_matrix_estimate *= distance;
+    domain_->source_regions_.mom_matrix(sr) += moment_matrix_estimate;
+
+    // Tally valid position inside the source region (e.g., midpoint of
+    // the ray) if not done already
+    if (!domain_->source_regions_.position_recorded(sr)) {
+      domain_->source_regions_.position(sr) = midpoint;
+      domain_->source_regions_.position_recorded(sr) = 1;
+    }
+
+    // Release lock
+    domain_->source_regions_.lock(sr).unlock();
+  }
+
+  // Add source to incoming angular flux, assuming void region
+  for (int g = 0; g < negroups_; g++) {
+    angular_flux_[g] +=
+      domain_->source_regions_.external_source(sr, g) * distance;
+  }
+}
+
 void RandomRay::initialize_ray(uint64_t ray_id, FlatSourceDomain* domain)
 {
   domain_ = domain;
diff --git a/src/random_ray/random_ray_simulation.cpp b/src/random_ray/random_ray_simulation.cpp
index c4f719b23..f1477c3fe 100644
--- a/src/random_ray/random_ray_simulation.cpp
+++ b/src/random_ray/random_ray_simulation.cpp
@@ -194,6 +194,23 @@ void validate_random_ray_inputs()
       fatal_error("Non-isothermal MGXS detected. Only isothermal XS data sets "
                   "supported in random ray mode.");
     }
+    for (int g = 0; g < data::mg.num_energy_groups_; g++) {
+      if (material.exists_in_model) {
+        // Temperature and angle indices, if using multiple temperature
+        // data sets and/or anisotropic data sets.
+        // TODO: Currently assumes we are only using single temp/single angle
+        // data.
+        const int t = 0;
+        const int a = 0;
+        double sigma_t =
+          material.get_xs(MgxsType::TOTAL, g, NULL, NULL, NULL, t, a);
+        if (sigma_t <= 0.0) {
+          fatal_error("No zero or negative total macroscopic cross sections "
+                      "allowed in random ray mode. If the intention is to make "
+                      "a void material, use a cell fill of 'None' instead.");
+        }
+      }
+    }
   }
 
   // Validate ray source
diff --git a/src/random_ray/source_region.cpp b/src/random_ray/source_region.cpp
index 0a20af8a9..4ac86ea8c 100644
--- a/src/random_ray/source_region.cpp
+++ b/src/random_ray/source_region.cpp
@@ -46,6 +46,8 @@ void SourceRegionContainer::push_back(const SourceRegion& sr)
   lock_.push_back(sr.lock_);
   volume_.push_back(sr.volume_);
   volume_t_.push_back(sr.volume_t_);
+  volume_sq_.push_back(sr.volume_sq_);
+  volume_sq_t_.push_back(sr.volume_sq_t_);
   volume_naive_.push_back(sr.volume_naive_);
   position_recorded_.push_back(sr.position_recorded_);
   external_source_present_.push_back(sr.external_source_present_);
@@ -93,6 +95,8 @@ void SourceRegionContainer::assign(
   lock_.clear();
   volume_.clear();
   volume_t_.clear();
+  volume_sq_.clear();
+  volume_sq_t_.clear();
   volume_naive_.clear();
   position_recorded_.clear();
   external_source_present_.clear();
@@ -205,6 +209,8 @@ void SourceRegionContainer::mpi_sync_ranks(bool reduce_position)
   // next iteration.
   MPI_Allreduce(MPI_IN_PLACE, volume_.data(), n_source_regions_, MPI_DOUBLE,
     MPI_SUM, mpi::intracomm);
+  MPI_Allreduce(MPI_IN_PLACE, volume_sq_.data(), n_source_regions_, MPI_DOUBLE,
+    MPI_SUM, mpi::intracomm);
 
   MPI_Allreduce(MPI_IN_PLACE, scalar_flux_new_.data(),
     n_source_regions_ * negroups_, MPI_DOUBLE, MPI_SUM, mpi::intracomm);
diff --git a/tests/regression_tests/random_ray_void/__init__.py b/tests/regression_tests/random_ray_void/__init__.py
new file mode 100644
index 000000000..e69de29bb
diff --git a/tests/regression_tests/random_ray_void/flat/inputs_true.dat b/tests/regression_tests/random_ray_void/flat/inputs_true.dat
new file mode 100644
index 000000000..617a66053
--- /dev/null
+++ b/tests/regression_tests/random_ray_void/flat/inputs_true.dat
@@ -0,0 +1,245 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <cross_sections>mgxs.h5</cross_sections>
+    <material id="1" name="source">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="source"/>
+    </material>
+    <material id="2" name="void">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="void"/>
+    </material>
+    <material id="3" name="absorber">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="absorber"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="void" name="infinite source region" universe="1"/>
+    <cell id="2" material="void" name="infinite void region" universe="2"/>
+    <cell id="3" material="3" name="infinite absorber region" universe="3"/>
+    <cell fill="4" id="4" universe="5"/>
+    <cell fill="5" id="5" name="full domain" region="1 -2 3 -4 5 -6" universe="6"/>
+    <lattice id="4">
+      <pitch>2.5 2.5 2.5</pitch>
+      <dimension>12 12 12</dimension>
+      <lower_left>0.0 0.0 0.0</lower_left>
+      <universes>
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+1 1 2 2 2 2 2 2 2 2 3 3 
+1 1 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
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+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+1 1 2 2 2 2 2 2 2 2 3 3 
+1 1 2 2 2 2 2 2 2 2 3 3 
+
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+2 2 2 2 2 2 2 2 2 2 3 3 
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+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
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+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
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+2 2 2 2 2 2 2 2 2 2 3 3 
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+2 2 2 2 2 2 2 2 2 2 3 3 
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+
+3 3 3 3 3 3 3 3 3 3 3 3 
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+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
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+2 2 2 2 2 2 2 2 2 2 3 3 
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+3 3 3 3 3 3 3 3 3 3 3 3 
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+2 2 2 2 2 2 2 2 2 2 3 3 
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+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
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+2 2 2 2 2 2 2 2 2 2 3 3 
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+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 </universes>
+    </lattice>
+    <surface boundary="reflective" coeffs="0.0" id="1" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="30.0" id="2" type="x-plane"/>
+    <surface boundary="reflective" coeffs="0.0" id="3" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="30.0" id="4" type="y-plane"/>
+    <surface boundary="reflective" coeffs="0.0" id="5" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="30.0" id="6" type="z-plane"/>
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>90</particles>
+    <batches>40</batches>
+    <inactive>20</inactive>
+    <source particle="neutron" strength="3.14" type="independent">
+      <energy type="discrete">
+        <parameters>100.0 1.0</parameters>
+      </energy>
+      <constraints>
+        <domain_type>universe</domain_type>
+        <domain_ids>1</domain_ids>
+      </constraints>
+    </source>
+    <energy_mode>multi-group</energy_mode>
+    <random_ray>
+      <distance_active>500.0</distance_active>
+      <distance_inactive>100.0</distance_inactive>
+      <source particle="neutron" strength="1.0" type="independent">
+        <space type="box">
+          <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
+        </space>
+      </source>
+      <volume_normalized_flux_tallies>True</volume_normalized_flux_tallies>
+      <source_shape>flat</source_shape>
+    </random_ray>
+  </settings>
+  <tallies>
+    <filter id="6" type="cell">
+      <bins>1</bins>
+    </filter>
+    <filter id="5" type="cell">
+      <bins>2</bins>
+    </filter>
+    <filter id="4" type="cell">
+      <bins>3</bins>
+    </filter>
+    <tally id="6" name="Source Tally">
+      <filters>6</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="5" name="Void Tally">
+      <filters>5</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="4" name="Absorber Tally">
+      <filters>4</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/random_ray_void/flat/results_true.dat b/tests/regression_tests/random_ray_void/flat/results_true.dat
new file mode 100644
index 000000000..bf395f25f
--- /dev/null
+++ b/tests/regression_tests/random_ray_void/flat/results_true.dat
@@ -0,0 +1,9 @@
+tally 1:
+1.760401E+00
+1.554914E-01
+tally 2:
+1.056204E-01
+5.741779E-04
+tally 3:
+7.286803E-03
+2.706427E-06
diff --git a/tests/regression_tests/random_ray_void/linear/inputs_true.dat b/tests/regression_tests/random_ray_void/linear/inputs_true.dat
new file mode 100644
index 000000000..4b6a682d9
--- /dev/null
+++ b/tests/regression_tests/random_ray_void/linear/inputs_true.dat
@@ -0,0 +1,245 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <cross_sections>mgxs.h5</cross_sections>
+    <material id="1" name="source">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="source"/>
+    </material>
+    <material id="2" name="void">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="void"/>
+    </material>
+    <material id="3" name="absorber">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="absorber"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="void" name="infinite source region" universe="1"/>
+    <cell id="2" material="void" name="infinite void region" universe="2"/>
+    <cell id="3" material="3" name="infinite absorber region" universe="3"/>
+    <cell fill="4" id="4" universe="5"/>
+    <cell fill="5" id="5" name="full domain" region="1 -2 3 -4 5 -6" universe="6"/>
+    <lattice id="4">
+      <pitch>2.5 2.5 2.5</pitch>
+      <dimension>12 12 12</dimension>
+      <lower_left>0.0 0.0 0.0</lower_left>
+      <universes>
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+1 1 2 2 2 2 2 2 2 2 3 3 
+1 1 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+1 1 2 2 2 2 2 2 2 2 3 3 
+1 1 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 </universes>
+    </lattice>
+    <surface boundary="reflective" coeffs="0.0" id="1" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="30.0" id="2" type="x-plane"/>
+    <surface boundary="reflective" coeffs="0.0" id="3" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="30.0" id="4" type="y-plane"/>
+    <surface boundary="reflective" coeffs="0.0" id="5" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="30.0" id="6" type="z-plane"/>
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>90</particles>
+    <batches>40</batches>
+    <inactive>20</inactive>
+    <source particle="neutron" strength="3.14" type="independent">
+      <energy type="discrete">
+        <parameters>100.0 1.0</parameters>
+      </energy>
+      <constraints>
+        <domain_type>universe</domain_type>
+        <domain_ids>1</domain_ids>
+      </constraints>
+    </source>
+    <energy_mode>multi-group</energy_mode>
+    <random_ray>
+      <distance_active>500.0</distance_active>
+      <distance_inactive>100.0</distance_inactive>
+      <source particle="neutron" strength="1.0" type="independent">
+        <space type="box">
+          <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
+        </space>
+      </source>
+      <volume_normalized_flux_tallies>True</volume_normalized_flux_tallies>
+      <source_shape>linear</source_shape>
+    </random_ray>
+  </settings>
+  <tallies>
+    <filter id="6" type="cell">
+      <bins>1</bins>
+    </filter>
+    <filter id="5" type="cell">
+      <bins>2</bins>
+    </filter>
+    <filter id="4" type="cell">
+      <bins>3</bins>
+    </filter>
+    <tally id="6" name="Source Tally">
+      <filters>6</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="5" name="Void Tally">
+      <filters>5</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="4" name="Absorber Tally">
+      <filters>4</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/random_ray_void/linear/results_true.dat b/tests/regression_tests/random_ray_void/linear/results_true.dat
new file mode 100644
index 000000000..77fade829
--- /dev/null
+++ b/tests/regression_tests/random_ray_void/linear/results_true.dat
@@ -0,0 +1,9 @@
+tally 1:
+1.762592E+00
+1.558698E-01
+tally 2:
+1.082935E-01
+6.029854E-04
+tally 3:
+7.301975E-03
+2.717553E-06
diff --git a/tests/regression_tests/random_ray_void/test.py b/tests/regression_tests/random_ray_void/test.py
new file mode 100644
index 000000000..b48a7794d
--- /dev/null
+++ b/tests/regression_tests/random_ray_void/test.py
@@ -0,0 +1,72 @@
+import os
+
+import openmc
+from openmc.utility_funcs import change_directory
+from openmc.examples import random_ray_three_region_cube
+import pytest
+
+from tests.testing_harness import TolerantPyAPITestHarness
+
+
+class MGXSTestHarness(TolerantPyAPITestHarness):
+    def _cleanup(self):
+        super()._cleanup()
+        f = 'mgxs.h5'
+        if os.path.exists(f):
+            os.remove(f)
+
+
+@pytest.mark.parametrize("shape", ["flat", "linear"])
+def test_random_ray_void(shape):
+    with change_directory(shape):
+        openmc.reset_auto_ids()
+        model = random_ray_three_region_cube()
+
+        # There is some different logic for void depending on linear
+        # vs. flat, so we test both
+        model.settings.random_ray['source_shape'] = shape
+
+        # As we are testing linear sources, need to have more than
+        # 10 inactive batches so the moments start getting computed
+        model.settings.inactive = 20
+        model.settings.batches = 40
+
+        # Begin by getting handles to the cells, and setting the
+        # source and void areas to have no fill. We leave the absorber
+        # as solid.
+        absorber_cell = model.geometry.get_cells_by_name(
+            'infinite absorber region', matching=True)[0]
+        void_cell = model.geometry.get_cells_by_name(
+            'infinite void region', matching=True)[0]
+        source_cell = model.geometry.get_cells_by_name(
+            'infinite source region', matching=True)[0]
+
+        void_cell.fill = None
+        source_cell.fill = None
+
+        # We also need to redefine all three tallies to use cell
+        # filters instead of material ones
+        estimator = 'tracklength'
+        absorber_filter = openmc.CellFilter(absorber_cell)
+        absorber_tally = openmc.Tally(name="Absorber Tally")
+        absorber_tally.filters = [absorber_filter]
+        absorber_tally.scores = ['flux']
+        absorber_tally.estimator = estimator
+
+        void_filter = openmc.CellFilter(void_cell)
+        void_tally = openmc.Tally(name="Void Tally")
+        void_tally.filters = [void_filter]
+        void_tally.scores = ['flux']
+        void_tally.estimator = estimator
+
+        source_filter = openmc.CellFilter(source_cell)
+        source_tally = openmc.Tally(name="Source Tally")
+        source_tally.filters = [source_filter]
+        source_tally.scores = ['flux']
+        source_tally.estimator = estimator
+
+        tallies = openmc.Tallies([source_tally, void_tally, absorber_tally])
+        model.tallies = tallies
+
+        harness = MGXSTestHarness('statepoint.40.h5', model)
+        harness.main()

From d96e6860e627a1eb164184b153d41346785982ad Mon Sep 17 00:00:00 2001
From: Sam Pasmann <46267220+spasmann@users.noreply.github.com>
Date: Tue, 18 Feb 2025 22:44:15 -0500
Subject: [PATCH 2244/2654] Randomized Quasi-Monte Carlo Sampling in The Random
 Ray Method (#3268)

Co-authored-by: John Tramm <john.tramm@gmail.com>
---
 docs/source/io_formats/settings.rst           |   6 +
 docs/source/usersguide/random_ray.rst         |  18 ++
 include/openmc/constants.h                    |   1 +
 include/openmc/random_dist.h                  |  11 ++
 include/openmc/random_ray/random_ray.h        |   3 +
 openmc/settings.py                            |   8 +
 src/random_dist.cpp                           |   5 +
 src/random_ray/random_ray.cpp                 | 124 ++++++++++++-
 src/settings.cpp                              |  11 ++
 .../random_ray_halton_samples/__init__.py     |   0
 .../random_ray_halton_samples/inputs_true.dat | 110 +++++++++++
 .../results_true.dat                          | 171 ++++++++++++++++++
 .../random_ray_halton_samples/test.py         |  19 ++
 13 files changed, 480 insertions(+), 7 deletions(-)
 create mode 100644 tests/regression_tests/random_ray_halton_samples/__init__.py
 create mode 100644 tests/regression_tests/random_ray_halton_samples/inputs_true.dat
 create mode 100644 tests/regression_tests/random_ray_halton_samples/results_true.dat
 create mode 100644 tests/regression_tests/random_ray_halton_samples/test.py

diff --git a/docs/source/io_formats/settings.rst b/docs/source/io_formats/settings.rst
index 4da57fe2a..3ddba1d5e 100644
--- a/docs/source/io_formats/settings.rst
+++ b/docs/source/io_formats/settings.rst
@@ -457,6 +457,12 @@ found in the :ref:`random ray user guide <random_ray>`.
 
     *Default*: None
 
+  :sample_method:
+    Specifies the method for sampling the starting ray distribution. This
+    element can be set to "prng" or "halton".
+
+    *Default*: prng
+
 ----------------------------------
 ``<resonance_scattering>`` Element
 ----------------------------------
diff --git a/docs/source/usersguide/random_ray.rst b/docs/source/usersguide/random_ray.rst
index b797a7216..eff1764d4 100644
--- a/docs/source/usersguide/random_ray.rst
+++ b/docs/source/usersguide/random_ray.rst
@@ -299,6 +299,24 @@ acceptable ray source for a two-dimensional 2x2 lattice would look like:
     provide physical particle fixed sources in addition to the random ray
     source.
 
+--------------------------
+Quasi-Monte Carlo Sampling
+--------------------------
+
+By default OpenMC will use a pseudorandom number generator (PRNG) to sample ray
+starting locations from a uniform distribution in space and angle.
+Alternatively, a randomized Halton sequence may be sampled from, which is a form
+of Randomized Qusi-Monte Carlo (RQMC) sampling. RQMC sampling with random ray
+has been shown to offer reduced variance as compared to regular PRNG sampling,
+as the Halton sequence offers a more uniform distribution of sampled points.
+Randomized Halton sampling can be enabled as::
+
+  settings.random_ray['sample_method'] = 'halton'
+
+Default behavior using OpenMC's native PRNG can be manually specified as::
+
+  settings.random_ray['sample_method'] = 'prng'
+
 .. _subdivision_fsr:
 
 ----------------------------------
diff --git a/include/openmc/constants.h b/include/openmc/constants.h
index a83a4a07d..cfcacbabf 100644
--- a/include/openmc/constants.h
+++ b/include/openmc/constants.h
@@ -344,6 +344,7 @@ enum class SolverType { MONTE_CARLO, RANDOM_RAY };
 
 enum class RandomRayVolumeEstimator { NAIVE, SIMULATION_AVERAGED, HYBRID };
 enum class RandomRaySourceShape { FLAT, LINEAR, LINEAR_XY };
+enum class RandomRaySampleMethod { PRNG, HALTON };
 
 //==============================================================================
 // Geometry Constants
diff --git a/include/openmc/random_dist.h b/include/openmc/random_dist.h
index 0fb186edc..11e88ab8c 100644
--- a/include/openmc/random_dist.h
+++ b/include/openmc/random_dist.h
@@ -16,6 +16,17 @@ namespace openmc {
 
 double uniform_distribution(double a, double b, uint64_t* seed);
 
+//==============================================================================
+//! Sample an integer from uniform distribution [a, b]
+//
+//! \param a Lower bound of uniform distribution
+//! \param b Upper bound of uniform distribtion
+//! \param seed A pointer to the pseudorandom seed
+//! \return Sampled variate
+//==============================================================================
+
+int64_t uniform_int_distribution(int64_t a, int64_t b, uint64_t* seed);
+
 //==============================================================================
 //! Samples an energy from the Maxwell fission distribution based on a direct
 //! sampling scheme.
diff --git a/include/openmc/random_ray/random_ray.h b/include/openmc/random_ray/random_ray.h
index 4325a6420..df1ad70bc 100644
--- a/include/openmc/random_ray/random_ray.h
+++ b/include/openmc/random_ray/random_ray.h
@@ -33,6 +33,8 @@ public:
 
   void initialize_ray(uint64_t ray_id, FlatSourceDomain* domain);
   uint64_t transport_history_based_single_ray();
+  SourceSite sample_prng();
+  SourceSite sample_halton();
 
   //----------------------------------------------------------------------------
   // Static data members
@@ -40,6 +42,7 @@ public:
   static double distance_active_;            // Active ray length
   static unique_ptr<Source> ray_source_;     // Starting source for ray sampling
   static RandomRaySourceShape source_shape_; // Flag for linear source
+  static RandomRaySampleMethod sample_method_; // Flag for sampling method
 
   //----------------------------------------------------------------------------
   // Public data members
diff --git a/openmc/settings.py b/openmc/settings.py
index b29393d9a..110d57c19 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -173,6 +173,9 @@ class Settings:
         :adjoint:
             Whether to run the random ray solver in adjoint mode (bool). The
             default is 'False'.
+        :sample_method:
+            Sampling method for the ray starting location and direction of travel.
+            Options are `prng` (default) or 'halton`.
 
         .. versionadded:: 0.15.0
     resonance_scattering : dict
@@ -1131,6 +1134,9 @@ class Settings:
                 cv.check_type('volume normalized flux tallies', value, bool)
             elif key == 'adjoint':
                 cv.check_type('adjoint', value, bool)
+            elif key == 'sample_method':
+                cv.check_value('sample method', value,
+                               ('prng', 'halton'))
             else:
                 raise ValueError(f'Unable to set random ray to "{key}" which is '
                                  'unsupported by OpenMC')
@@ -1948,6 +1954,8 @@ class Settings:
                     self.random_ray['adjoint'] = (
                         child.text in ('true', '1')
                     )
+                elif child.tag == 'sample_method':
+                    self.random_ray['sample_method'] = child.text
 
     def to_xml_element(self, mesh_memo=None):
         """Create a 'settings' element to be written to an XML file.
diff --git a/src/random_dist.cpp b/src/random_dist.cpp
index 1aa35a689..b05b76f99 100644
--- a/src/random_dist.cpp
+++ b/src/random_dist.cpp
@@ -12,6 +12,11 @@ double uniform_distribution(double a, double b, uint64_t* seed)
   return a + (b - a) * prn(seed);
 }
 
+int64_t uniform_int_distribution(int64_t a, int64_t b, uint64_t* seed)
+{
+  return a + static_cast<int64_t>(prn(seed) * (b - a + 1));
+}
+
 double maxwell_spectrum(double T, uint64_t* seed)
 {
   // Set the random numbers
diff --git a/src/random_ray/random_ray.cpp b/src/random_ray/random_ray.cpp
index a8a827775..9917cf0c5 100644
--- a/src/random_ray/random_ray.cpp
+++ b/src/random_ray/random_ray.cpp
@@ -9,6 +9,9 @@
 #include "openmc/search.h"
 #include "openmc/settings.h"
 #include "openmc/simulation.h"
+
+#include "openmc/distribution_spatial.h"
+#include "openmc/random_dist.h"
 #include "openmc/source.h"
 
 namespace openmc {
@@ -174,6 +177,57 @@ float exponentialG2(float tau)
   return num / den;
 }
 
+// Implementation of the Fisher-Yates shuffle algorithm.
+// Algorithm adapted from:
+//    https://en.cppreference.com/w/cpp/algorithm/random_shuffle#Version_3
+void fisher_yates_shuffle(vector<int64_t>& arr, uint64_t* seed)
+{
+  // Loop over the array from the last element down to the second
+  for (int i = arr.size() - 1; i > 0; --i) {
+    // Generate a random index in the range [0, i]
+    int j = uniform_int_distribution(0, i, seed);
+    std::swap(arr[i], arr[j]);
+  }
+}
+
+// Function to generate randomized Halton sequence samples
+//
+// Algorithm adapted from:
+//      A. B. Owen. A randomized halton algorithm in r. Arxiv, 6 2017.
+//      URL https://arxiv.org/abs/1706.02808
+vector<double> rhalton(int dim, uint64_t* seed, int64_t skip = 0)
+{
+  if (dim > 10) {
+    fatal_error("Halton sampling dimension too large");
+  }
+  int64_t b, res, dig;
+  double b2r, ans;
+  const std::array<int64_t, 10> primes = {2, 3, 5, 7, 11, 13, 17, 19, 23, 29};
+  vector<double> halton(dim, 0.0);
+
+  vector<int64_t> perm;
+  for (int D = 0; D < dim; ++D) {
+    b = primes[D];
+    perm.resize(b);
+    b2r = 1.0 / b;
+    res = skip;
+    ans = 0.0;
+
+    while ((1.0 - b2r) < 1.0) {
+      std::iota(perm.begin(), perm.end(), 0);
+      fisher_yates_shuffle(perm, seed);
+      dig = res % b;
+      ans += perm[dig] * b2r;
+      res = (res - dig) / b;
+      b2r /= b;
+    }
+
+    halton[D] = ans;
+  }
+
+  return halton;
+}
+
 //==============================================================================
 // RandomRay implementation
 //==============================================================================
@@ -183,6 +237,7 @@ double RandomRay::distance_inactive_;
 double RandomRay::distance_active_;
 unique_ptr<Source> RandomRay::ray_source_;
 RandomRaySourceShape RandomRay::source_shape_ {RandomRaySourceShape::FLAT};
+RandomRaySampleMethod RandomRay::sample_method_ {RandomRaySampleMethod::PRNG};
 
 RandomRay::RandomRay()
   : angular_flux_(data::mg.num_energy_groups_),
@@ -684,14 +739,19 @@ void RandomRay::initialize_ray(uint64_t ray_id, FlatSourceDomain* domain)
   // set identifier for particle
   id() = simulation::work_index[mpi::rank] + ray_id;
 
-  // set random number seed
-  int64_t particle_seed =
-    (simulation::current_batch - 1) * settings::n_particles + id();
-  init_particle_seeds(particle_seed, seeds());
-  stream() = STREAM_TRACKING;
+  // generate source site using sample method
+  SourceSite site;
+  switch (sample_method_) {
+  case RandomRaySampleMethod::PRNG:
+    site = sample_prng();
+    break;
+  case RandomRaySampleMethod::HALTON:
+    site = sample_halton();
+    break;
+  default:
+    fatal_error("Unknown sample method for random ray transport.");
+  }
 
-  // Sample from ray source distribution
-  SourceSite site {ray_source_->sample(current_seed())};
   site.E = lower_bound_index(
     data::mg.rev_energy_bins_.begin(), data::mg.rev_energy_bins_.end(), site.E);
   site.E = negroups_ - site.E - 1.;
@@ -719,4 +779,54 @@ void RandomRay::initialize_ray(uint64_t ray_id, FlatSourceDomain* domain)
   }
 }
 
+SourceSite RandomRay::sample_prng()
+{
+  // set random number seed
+  int64_t particle_seed =
+    (simulation::current_batch - 1) * settings::n_particles + id();
+  init_particle_seeds(particle_seed, seeds());
+  stream() = STREAM_TRACKING;
+
+  // Sample from ray source distribution
+  SourceSite site {ray_source_->sample(current_seed())};
+
+  return site;
+}
+
+SourceSite RandomRay::sample_halton()
+{
+  SourceSite site;
+
+  // Set random number seed
+  int64_t batch_seed = (simulation::current_batch - 1) * settings::n_particles;
+  int64_t skip = id();
+  init_particle_seeds(batch_seed, seeds());
+  stream() = STREAM_TRACKING;
+
+  // Calculate next samples in LDS across 5 dimensions
+  vector<double> samples = rhalton(5, current_seed(), skip = skip);
+
+  // Get spatial box of ray_source_
+  SpatialBox* sb = dynamic_cast<SpatialBox*>(
+    dynamic_cast<IndependentSource*>(RandomRay::ray_source_.get())->space());
+
+  // Sample spatial distribution
+  Position xi {samples[0], samples[1], samples[2]};
+  // make a small shift in position to avoid geometry floating point issues
+  Position shift {FP_COINCIDENT, FP_COINCIDENT, FP_COINCIDENT};
+  site.r = (sb->lower_left() + shift) +
+           xi * ((sb->upper_right() - shift) - (sb->lower_left() + shift));
+
+  // Sample Polar cosine and azimuthal angles
+  double mu = 2.0 * samples[3] - 1.0;
+  double azi = 2.0 * PI * samples[4];
+  // Convert to Cartesian coordinates
+  double c = std::sqrt(1.0 - mu * mu);
+  site.u.x = mu;
+  site.u.y = std::cos(azi) * c;
+  site.u.z = std::sin(azi) * c;
+
+  return site;
+}
+
 } // namespace openmc
diff --git a/src/settings.cpp b/src/settings.cpp
index 61eda7996..60263c846 100644
--- a/src/settings.cpp
+++ b/src/settings.cpp
@@ -306,6 +306,17 @@ void get_run_parameters(pugi::xml_node node_base)
       FlatSourceDomain::adjoint_ =
         get_node_value_bool(random_ray_node, "adjoint");
     }
+    if (check_for_node(random_ray_node, "sample_method")) {
+      std::string temp_str =
+        get_node_value(random_ray_node, "sample_method", true, true);
+      if (temp_str == "prng") {
+        RandomRay::sample_method_ = RandomRaySampleMethod::PRNG;
+      } else if (temp_str == "halton") {
+        RandomRay::sample_method_ = RandomRaySampleMethod::HALTON;
+      } else {
+        fatal_error("Unrecognized sample method: " + temp_str);
+      }
+    }
   }
 }
 
diff --git a/tests/regression_tests/random_ray_halton_samples/__init__.py b/tests/regression_tests/random_ray_halton_samples/__init__.py
new file mode 100644
index 000000000..e69de29bb
diff --git a/tests/regression_tests/random_ray_halton_samples/inputs_true.dat b/tests/regression_tests/random_ray_halton_samples/inputs_true.dat
new file mode 100644
index 000000000..624ab495f
--- /dev/null
+++ b/tests/regression_tests/random_ray_halton_samples/inputs_true.dat
@@ -0,0 +1,110 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <cross_sections>mgxs.h5</cross_sections>
+    <material id="1" name="UO2 fuel">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="UO2"/>
+    </material>
+    <material id="2" name="Water">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="LWTR"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" name="fuel inner a" region="-2" universe="1"/>
+    <cell id="2" material="1" name="fuel inner b" region="2 -3" universe="1"/>
+    <cell id="3" material="1" name="fuel inner c" region="3 -1" universe="1"/>
+    <cell id="4" material="2" name="moderator inner a" region="1 -4" universe="1"/>
+    <cell id="5" material="2" name="moderator outer b" region="4 -5" universe="1"/>
+    <cell id="6" material="2" name="moderator outer c" region="5" universe="1"/>
+    <cell fill="1" id="7" name="azimuthal_cell_0" region="6 -7" universe="2"/>
+    <cell fill="1" id="8" name="azimuthal_cell_1" region="7 -8" universe="2"/>
+    <cell fill="1" id="9" name="azimuthal_cell_2" region="8 -9" universe="2"/>
+    <cell fill="1" id="10" name="azimuthal_cell_3" region="9 -10" universe="2"/>
+    <cell fill="1" id="11" name="azimuthal_cell_4" region="10 -11" universe="2"/>
+    <cell fill="1" id="12" name="azimuthal_cell_5" region="11 -12" universe="2"/>
+    <cell fill="1" id="13" name="azimuthal_cell_6" region="12 -13" universe="2"/>
+    <cell fill="1" id="14" name="azimuthal_cell_7" region="13 -6" universe="2"/>
+    <cell id="15" material="2" name="moderator infinite" universe="3"/>
+    <cell fill="4" id="16" universe="5"/>
+    <cell fill="6" id="17" name="assembly" region="14 -15 16 -17" universe="7"/>
+    <lattice id="4">
+      <pitch>0.126 0.126</pitch>
+      <dimension>10 10</dimension>
+      <lower_left>-0.63 -0.63</lower_left>
+      <universes>
+3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 </universes>
+    </lattice>
+    <lattice id="6">
+      <pitch>1.26 1.26</pitch>
+      <dimension>2 2</dimension>
+      <lower_left>-1.26 -1.26</lower_left>
+      <universes>
+2 2 
+2 5 </universes>
+    </lattice>
+    <surface coeffs="0.0 0.0 0.54" id="1" name="Fuel OR" type="z-cylinder"/>
+    <surface coeffs="0.0 0.0 0.33" id="2" name="inner ring a" type="z-cylinder"/>
+    <surface coeffs="0.0 0.0 0.45" id="3" name="inner ring b" type="z-cylinder"/>
+    <surface coeffs="0.0 0.0 0.6" id="4" name="outer ring a" type="z-cylinder"/>
+    <surface coeffs="0.0 0.0 0.69" id="5" name="outer ring b" type="z-cylinder"/>
+    <surface coeffs="-0.0 1.0 0 0" id="6" type="plane"/>
+    <surface coeffs="-0.7071067811865475 0.7071067811865476 0 0" id="7" type="plane"/>
+    <surface coeffs="-1.0 6.123233995736766e-17 0 0" id="8" type="plane"/>
+    <surface coeffs="-0.7071067811865476 -0.7071067811865475 0 0" id="9" type="plane"/>
+    <surface coeffs="-1.2246467991473532e-16 -1.0 0 0" id="10" type="plane"/>
+    <surface coeffs="0.7071067811865475 -0.7071067811865477 0 0" id="11" type="plane"/>
+    <surface coeffs="1.0 -1.8369701987210297e-16 0 0" id="12" type="plane"/>
+    <surface coeffs="0.7071067811865477 0.7071067811865474 0 0" id="13" type="plane"/>
+    <surface boundary="reflective" coeffs="-1.26" id="14" name="minimum x" type="x-plane"/>
+    <surface boundary="reflective" coeffs="1.26" id="15" name="maximum x" type="x-plane"/>
+    <surface boundary="reflective" coeffs="-1.26" id="16" name="minimum y" type="y-plane"/>
+    <surface boundary="reflective" coeffs="1.26" id="17" name="maximum y" type="y-plane"/>
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>10</batches>
+    <inactive>5</inactive>
+    <energy_mode>multi-group</energy_mode>
+    <random_ray>
+      <distance_active>100.0</distance_active>
+      <distance_inactive>20.0</distance_inactive>
+      <source particle="neutron" strength="1.0" type="independent">
+        <space type="box">
+          <parameters>-1.26 -1.26 -1 1.26 1.26 1</parameters>
+        </space>
+      </source>
+      <volume_normalized_flux_tallies>True</volume_normalized_flux_tallies>
+      <sample_method>halton</sample_method>
+    </random_ray>
+  </settings>
+  <tallies>
+    <mesh id="1">
+      <dimension>2 2</dimension>
+      <lower_left>-1.26 -1.26</lower_left>
+      <upper_right>1.26 1.26</upper_right>
+    </mesh>
+    <filter id="1" type="mesh">
+      <bins>1</bins>
+    </filter>
+    <filter id="2" type="energy">
+      <bins>1e-05 0.0635 10.0 100.0 1000.0 500000.0 1000000.0 20000000.0</bins>
+    </filter>
+    <tally id="1" name="Mesh tally">
+      <filters>1 2</filters>
+      <scores>flux fission nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/random_ray_halton_samples/results_true.dat b/tests/regression_tests/random_ray_halton_samples/results_true.dat
new file mode 100644
index 000000000..7eb307da0
--- /dev/null
+++ b/tests/regression_tests/random_ray_halton_samples/results_true.dat
@@ -0,0 +1,171 @@
+k-combined:
+8.388051E-01 7.383265E-03
+tally 1:
+5.033308E+00
+5.072162E+00
+1.917335E+00
+7.360725E-01
+4.666410E+00
+4.360038E+00
+2.851812E+00
+1.629362E+00
+4.365590E-01
+3.818884E-02
+1.062497E+00
+2.262071E-01
+1.697621E+00
+5.829333E-01
+5.639912E-02
+6.427568E-04
+1.372642E-01
+3.807294E-03
+2.376683E+00
+1.151027E+00
+8.060902E-02
+1.323179E-03
+1.961862E-01
+7.837693E-03
+7.145452E+00
+1.037540E+01
+8.551803E-02
+1.486269E-03
+2.081363E-01
+8.803955E-03
+2.053205E+01
+8.469498E+01
+3.235618E-02
+2.102891E-04
+8.006311E-02
+1.287559E-03
+1.326545E+01
+3.519484E+01
+1.867471E-01
+6.975133E-03
+5.194275E-01
+5.396284E-02
+7.558115E+00
+1.142535E+01
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+3.386211E+00
+2.294414E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+1.827274E+00
+6.782305E-01
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+2.702858E+00
+1.489752E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+7.475537E+00
+1.133971E+01
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+1.828685E+01
+6.719606E+01
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+1.143600E+01
+2.615734E+01
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+4.590713E+00
+4.224107E+00
+1.705847E+00
+5.831967E-01
+4.151691E+00
+3.454497E+00
+2.730853E+00
+1.495413E+00
+4.072633E-01
+3.325944E-02
+9.911973E-01
+1.970084E-01
+1.664732E+00
+5.598668E-01
+5.385645E-02
+5.858353E-04
+1.310758E-01
+3.470126E-03
+2.312239E+00
+1.088485E+00
+7.662778E-02
+1.195422E-03
+1.864967E-01
+7.080943E-03
+7.105765E+00
+1.025960E+01
+8.287512E-02
+1.396474E-03
+2.017039E-01
+8.272053E-03
+2.099024E+01
+8.854251E+01
+3.191885E-02
+2.048368E-04
+7.898095E-02
+1.254175E-03
+1.355820E+01
+3.676862E+01
+1.815102E-01
+6.590727E-03
+5.048614E-01
+5.098890E-02
+5.093659E+00
+5.192360E+00
+1.874632E+00
+7.031793E-01
+4.562478E+00
+4.165199E+00
+2.870213E+00
+1.650126E+00
+4.244068E-01
+3.608745E-02
+1.032921E+00
+2.137598E-01
+1.703400E+00
+5.873029E-01
+5.464557E-02
+6.042855E-04
+1.329964E-01
+3.579413E-03
+2.389118E+00
+1.163674E+00
+7.832237E-02
+1.251254E-03
+1.906210E-01
+7.411654E-03
+7.162706E+00
+1.042515E+01
+8.273831E-02
+1.391799E-03
+2.013709E-01
+8.244359E-03
+2.043145E+01
+8.383557E+01
+3.096158E-02
+1.924116E-04
+7.661226E-02
+1.178098E-03
+1.314148E+01
+3.454143E+01
+1.771732E-01
+6.279887E-03
+4.927984E-01
+4.858410E-02
diff --git a/tests/regression_tests/random_ray_halton_samples/test.py b/tests/regression_tests/random_ray_halton_samples/test.py
new file mode 100644
index 000000000..478b65026
--- /dev/null
+++ b/tests/regression_tests/random_ray_halton_samples/test.py
@@ -0,0 +1,19 @@
+import os
+
+from openmc.examples import random_ray_lattice
+
+from tests.testing_harness import TolerantPyAPITestHarness
+
+
+class MGXSTestHarness(TolerantPyAPITestHarness):
+    def _cleanup(self):
+        super()._cleanup()
+        f = 'mgxs.h5'
+        if os.path.exists(f):
+            os.remove(f)
+
+def test_random_ray_halton_samples():
+    model = random_ray_lattice()
+    model.settings.random_ray['sample_method'] = 'halton'
+    harness = MGXSTestHarness('statepoint.10.h5', model)
+    harness.main()

From 06a88526cfb75786bf69eb453bd6dda01ffad864 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 19 Feb 2025 07:48:39 -0600
Subject: [PATCH 2245/2654] Relax requirement on polar/azimuthal axis for wwinp
 conversion (#3307)

---
 openmc/weight_windows.py                         | 16 +++++++++++++---
 .../regression_tests/weightwindows/ww_n_cyl.txt  |  2 +-
 .../regression_tests/weightwindows/ww_n_sph.txt  |  2 +-
 3 files changed, 15 insertions(+), 5 deletions(-)

diff --git a/openmc/weight_windows.py b/openmc/weight_windows.py
index 0502d309f..d52b81925 100644
--- a/openmc/weight_windows.py
+++ b/openmc/weight_windows.py
@@ -513,9 +513,19 @@ def wwinp_to_wws(path: PathLike) -> list[WeightWindows]:
             line_arr = np.fromstring(wwinp.readline(), sep=' ')
             xyz2 = line_arr[:3]
 
-            # oriented polar and azimuthal vectors aren't yet supported
-            if np.count_nonzero(xyz1) or np.count_nonzero(xyz2):
-                raise NotImplementedError('Custom sphere/cylinder orientations are not supported')
+            # Get polar and azimuthal axes
+            polar_axis = xyz1 - xyz0
+            azimuthal_axis = xyz2 - xyz0
+
+            # Check for polar axis other than (0, 0, 1)
+            norm = np.linalg.norm(polar_axis)
+            if not np.isclose(polar_axis[2]/norm, 1.0):
+                raise NotImplementedError('Polar axis not aligned to z-axis not supported')
+
+            # Check for azimuthal axis other than (1, 0, 0)
+            norm = np.linalg.norm(azimuthal_axis)
+            if not np.isclose(azimuthal_axis[0]/norm, 1.0):
+                raise NotImplementedError('Azimuthal axis not aligned to x-axis not supported')
 
             # read geometry type
             nwg = int(line_arr[-1])
diff --git a/tests/regression_tests/weightwindows/ww_n_cyl.txt b/tests/regression_tests/weightwindows/ww_n_cyl.txt
index 89232628f..6f6144ca3 100644
--- a/tests/regression_tests/weightwindows/ww_n_cyl.txt
+++ b/tests/regression_tests/weightwindows/ww_n_cyl.txt
@@ -2,7 +2,7 @@
 1
 8.0000 7.0000 8.0000 0.0000 0.0000 -9.0001
 2.0000 2.0000 4.0000 0.0000 0.0000 0.0000
-0.0000 0.0000 0.0000 2.0000
+1.0000 0.0000 -9.0001 2.0000
 0.0000 3.0000 3.0200 1.0000 5.0000 6.0001
 1.0000
 0.0000 4.0000 8.0080 1.0000 3.0000 14.002
diff --git a/tests/regression_tests/weightwindows/ww_n_sph.txt b/tests/regression_tests/weightwindows/ww_n_sph.txt
index 3f9b8dab6..a4418ceeb 100644
--- a/tests/regression_tests/weightwindows/ww_n_sph.txt
+++ b/tests/regression_tests/weightwindows/ww_n_sph.txt
@@ -2,7 +2,7 @@
 1
 8.0000 7.0000 8.0000 0.0000 0.0000 -9.0001
 2.0000 4.0000 4.0000 0.0000 0.0000 0.0000
-0.0000 0.0000 0.0000 3.0000
+1.0000 0.0000 -9.0001 3.0000
 0.0000 3.0000 3.0200 1.0000 5.0000 6.0001
 1.0000
 0.0000 2.0000 0.25000 1.0000 1.0000 0.50000

From bcc2a4c5f0260d010ae7f5989c453e7799d7378b Mon Sep 17 00:00:00 2001
From: Gavin Ridley <gavin.keith.ridley@gmail.com>
Date: Wed, 19 Feb 2025 15:58:14 -0600
Subject: [PATCH 2246/2654] simplify mechanism to detect if geometry entity is
 DAG (#3269)

---
 include/openmc/cell.h     | 12 ++++------
 include/openmc/dagmc.h    |  6 +++++
 include/openmc/surface.h  | 50 ++++++++++++++++++---------------------
 include/openmc/universe.h | 10 ++++----
 src/cell.cpp              |  8 -------
 src/dagmc.cpp             | 11 ++-------
 src/surface.cpp           | 39 ++++++++++++------------------
 7 files changed, 56 insertions(+), 80 deletions(-)

diff --git a/include/openmc/cell.h b/include/openmc/cell.h
index d7a3cad18..05abbfdfa 100644
--- a/include/openmc/cell.h
+++ b/include/openmc/cell.h
@@ -349,12 +349,8 @@ public:
 
   vector<int32_t> offset_; //!< Distribcell offset table
 
-  // Accessors
-  const GeometryType& geom_type() const { return geom_type_; }
-  GeometryType& geom_type() { return geom_type_; }
-
-private:
-  GeometryType geom_type_; //!< Geometric representation type (CSG, DAGMC)
+  // Right now, either CSG or DAGMC cells are used.
+  virtual GeometryType geom_type() const = 0;
 };
 
 struct CellInstanceItem {
@@ -368,7 +364,7 @@ class CSGCell : public Cell {
 public:
   //----------------------------------------------------------------------------
   // Constructors
-  CSGCell();
+  CSGCell() = default;
   explicit CSGCell(pugi::xml_node cell_node);
 
   //----------------------------------------------------------------------------
@@ -395,6 +391,8 @@ public:
 
   bool is_simple() const override { return region_.is_simple(); }
 
+  virtual GeometryType geom_type() const override { return GeometryType::CSG; }
+
 protected:
   //! Returns the beginning position of a parenthesis block (immediately before
   //! two surface tokens) in the RPN given a starting position at the end of
diff --git a/include/openmc/dagmc.h b/include/openmc/dagmc.h
index 9c4e47fdf..82ef1b644 100644
--- a/include/openmc/dagmc.h
+++ b/include/openmc/dagmc.h
@@ -54,6 +54,8 @@ public:
 
   inline void to_hdf5_inner(hid_t group_id) const override {};
 
+  virtual GeometryType geom_type() const override { return GeometryType::DAG; }
+
   // Accessor methods
   moab::DagMC* dagmc_ptr() const { return dagmc_ptr_.get(); }
   int32_t dag_index() const { return dag_index_; }
@@ -78,6 +80,8 @@ public:
 
   void to_hdf5_inner(hid_t group_id) const override;
 
+  virtual GeometryType geom_type() const override { return GeometryType::DAG; }
+
   // Accessor methods
   moab::DagMC* dagmc_ptr() const { return dagmc_ptr_.get(); }
   int32_t dag_index() const { return dag_index_; }
@@ -165,6 +169,8 @@ public:
 
   void to_hdf5(hid_t universes_group) const override;
 
+  virtual GeometryType geom_type() const override { return GeometryType::DAG; }
+
   // Data Members
   std::shared_ptr<moab::DagMC>
     dagmc_instance_;        //!< DAGMC Instance for this universe
diff --git a/include/openmc/surface.h b/include/openmc/surface.h
index 2397a64cc..549e8f6ab 100644
--- a/include/openmc/surface.h
+++ b/include/openmc/surface.h
@@ -90,30 +90,26 @@ public:
   //! Get the BoundingBox for this surface.
   virtual BoundingBox bounding_box(bool /*pos_side*/) const { return {}; }
 
-  // Accessors
-  const GeometryType& geom_type() const { return geom_type_; }
-  GeometryType& geom_type() { return geom_type_; }
-
-private:
-  GeometryType geom_type_; //!< Geometry type indicator (CSG or DAGMC)
+  /* Must specify if this is a CSG or DAGMC-type surface. Only
+   * the DAGMC surface should return the DAG type geometry, so
+   * by default, this returns the CSG. The main difference is that
+   * if the geom_type is found to be DAG in the geometry handling code,
+   * some DAGMC-specific operations get carried out like resetting
+   * the particle's intersection history when necessary.
+   */
+  virtual GeometryType geom_type() const { return GeometryType::CSG; }
 
 protected:
   virtual void to_hdf5_inner(hid_t group_id) const = 0;
 };
 
-class CSGSurface : public Surface {
-public:
-  explicit CSGSurface(pugi::xml_node surf_node);
-  CSGSurface();
-};
-
 //==============================================================================
 //! A plane perpendicular to the x-axis.
 //
 //! The plane is described by the equation \f$x - x_0 = 0\f$
 //==============================================================================
 
-class SurfaceXPlane : public CSGSurface {
+class SurfaceXPlane : public Surface {
 public:
   explicit SurfaceXPlane(pugi::xml_node surf_node);
   double evaluate(Position r) const override;
@@ -131,7 +127,7 @@ public:
 //! The plane is described by the equation \f$y - y_0 = 0\f$
 //==============================================================================
 
-class SurfaceYPlane : public CSGSurface {
+class SurfaceYPlane : public Surface {
 public:
   explicit SurfaceYPlane(pugi::xml_node surf_node);
   double evaluate(Position r) const override;
@@ -149,7 +145,7 @@ public:
 //! The plane is described by the equation \f$z - z_0 = 0\f$
 //==============================================================================
 
-class SurfaceZPlane : public CSGSurface {
+class SurfaceZPlane : public Surface {
 public:
   explicit SurfaceZPlane(pugi::xml_node surf_node);
   double evaluate(Position r) const override;
@@ -167,7 +163,7 @@ public:
 //! The plane is described by the equation \f$A x + B y + C z - D = 0\f$
 //==============================================================================
 
-class SurfacePlane : public CSGSurface {
+class SurfacePlane : public Surface {
 public:
   explicit SurfacePlane(pugi::xml_node surf_node);
   double evaluate(Position r) const override;
@@ -185,7 +181,7 @@ public:
 //! \f$(y - y_0)^2 + (z - z_0)^2 - R^2 = 0\f$
 //==============================================================================
 
-class SurfaceXCylinder : public CSGSurface {
+class SurfaceXCylinder : public Surface {
 public:
   explicit SurfaceXCylinder(pugi::xml_node surf_node);
   double evaluate(Position r) const override;
@@ -204,7 +200,7 @@ public:
 //! \f$(x - x_0)^2 + (z - z_0)^2 - R^2 = 0\f$
 //==============================================================================
 
-class SurfaceYCylinder : public CSGSurface {
+class SurfaceYCylinder : public Surface {
 public:
   explicit SurfaceYCylinder(pugi::xml_node surf_node);
   double evaluate(Position r) const override;
@@ -223,7 +219,7 @@ public:
 //! \f$(x - x_0)^2 + (y - y_0)^2 - R^2 = 0\f$
 //==============================================================================
 
-class SurfaceZCylinder : public CSGSurface {
+class SurfaceZCylinder : public Surface {
 public:
   explicit SurfaceZCylinder(pugi::xml_node surf_node);
   double evaluate(Position r) const override;
@@ -242,7 +238,7 @@ public:
 //! \f$(x - x_0)^2 + (y - y_0)^2 + (z - z_0)^2 - R^2 = 0\f$
 //==============================================================================
 
-class SurfaceSphere : public CSGSurface {
+class SurfaceSphere : public Surface {
 public:
   explicit SurfaceSphere(pugi::xml_node surf_node);
   double evaluate(Position r) const override;
@@ -261,7 +257,7 @@ public:
 //! \f$(y - y_0)^2 + (z - z_0)^2 - R^2 (x - x_0)^2 = 0\f$
 //==============================================================================
 
-class SurfaceXCone : public CSGSurface {
+class SurfaceXCone : public Surface {
 public:
   explicit SurfaceXCone(pugi::xml_node surf_node);
   double evaluate(Position r) const override;
@@ -279,7 +275,7 @@ public:
 //! \f$(x - x_0)^2 + (z - z_0)^2 - R^2 (y - y_0)^2 = 0\f$
 //==============================================================================
 
-class SurfaceYCone : public CSGSurface {
+class SurfaceYCone : public Surface {
 public:
   explicit SurfaceYCone(pugi::xml_node surf_node);
   double evaluate(Position r) const override;
@@ -297,7 +293,7 @@ public:
 //! \f$(x - x_0)^2 + (y - y_0)^2 - R^2 (z - z_0)^2 = 0\f$
 //==============================================================================
 
-class SurfaceZCone : public CSGSurface {
+class SurfaceZCone : public Surface {
 public:
   explicit SurfaceZCone(pugi::xml_node surf_node);
   double evaluate(Position r) const override;
@@ -315,7 +311,7 @@ public:
 //! 0\f$
 //==============================================================================
 
-class SurfaceQuadric : public CSGSurface {
+class SurfaceQuadric : public Surface {
 public:
   explicit SurfaceQuadric(pugi::xml_node surf_node);
   double evaluate(Position r) const override;
@@ -333,7 +329,7 @@ public:
 //! \f$(x-x_0)^2/B^2 + (\sqrt{(y-y_0)^2 + (z-z_0)^2} - A)^2/C^2 -1 \f$
 //==============================================================================
 
-class SurfaceXTorus : public CSGSurface {
+class SurfaceXTorus : public Surface {
 public:
   explicit SurfaceXTorus(pugi::xml_node surf_node);
   double evaluate(Position r) const override;
@@ -350,7 +346,7 @@ public:
 //! \f$(y-y_0)^2/B^2 + (\sqrt{(x-x_0)^2 + (z-z_0)^2} - A)^2/C^2 -1 \f$
 //==============================================================================
 
-class SurfaceYTorus : public CSGSurface {
+class SurfaceYTorus : public Surface {
 public:
   explicit SurfaceYTorus(pugi::xml_node surf_node);
   double evaluate(Position r) const override;
@@ -367,7 +363,7 @@ public:
 //! \f$(z-z_0)^2/B^2 + (\sqrt{(x-x_0)^2 + (y-y_0)^2} - A)^2/C^2 -1 \f$
 //==============================================================================
 
-class SurfaceZTorus : public CSGSurface {
+class SurfaceZTorus : public Surface {
 public:
   explicit SurfaceZTorus(pugi::xml_node surf_node);
   double evaluate(Position r) const override;
diff --git a/include/openmc/universe.h b/include/openmc/universe.h
index 9fea06bcc..e8fbacfdc 100644
--- a/include/openmc/universe.h
+++ b/include/openmc/universe.h
@@ -38,13 +38,13 @@ public:
 
   BoundingBox bounding_box() const;
 
-  const GeometryType& geom_type() const { return geom_type_; }
-  GeometryType& geom_type() { return geom_type_; }
+  /* By default, universes are CSG universes. The DAGMC
+   * universe overrides standard behaviors, and in the future,
+   * other things might too.
+   */
+  virtual GeometryType geom_type() const { return GeometryType::CSG; }
 
   unique_ptr<UniversePartitioner> partitioner_;
-
-private:
-  GeometryType geom_type_ = GeometryType::CSG;
 };
 
 //==============================================================================
diff --git a/src/cell.cpp b/src/cell.cpp
index d4d28fb70..fa8be4496 100644
--- a/src/cell.cpp
+++ b/src/cell.cpp
@@ -249,16 +249,8 @@ void Cell::to_hdf5(hid_t cell_group) const
 // CSGCell implementation
 //==============================================================================
 
-// default constructor
-CSGCell::CSGCell()
-{
-  geom_type() = GeometryType::CSG;
-}
-
 CSGCell::CSGCell(pugi::xml_node cell_node)
 {
-  geom_type() = GeometryType::CSG;
-
   if (check_for_node(cell_node, "id")) {
     id_ = std::stoi(get_node_value(cell_node, "id"));
   } else {
diff --git a/src/dagmc.cpp b/src/dagmc.cpp
index e24b3fbf6..ea5be04ba 100644
--- a/src/dagmc.cpp
+++ b/src/dagmc.cpp
@@ -129,8 +129,6 @@ void DAGUniverse::set_id()
 
 void DAGUniverse::initialize()
 {
-  geom_type() = GeometryType::DAG;
-
 #ifdef OPENMC_UWUW
   // read uwuw materials from the .h5m file if present
   read_uwuw_materials();
@@ -661,10 +659,7 @@ void DAGUniverse::override_assign_material(std::unique_ptr<DAGCell>& c) const
 //==============================================================================
 
 DAGCell::DAGCell(std::shared_ptr<moab::DagMC> dag_ptr, int32_t dag_idx)
-  : Cell {}, dagmc_ptr_(dag_ptr), dag_index_(dag_idx)
-{
-  geom_type() = GeometryType::DAG;
-};
+  : Cell {}, dagmc_ptr_(dag_ptr), dag_index_(dag_idx) {};
 
 std::pair<double, int32_t> DAGCell::distance(
   Position r, Direction u, int32_t on_surface, GeometryState* p) const
@@ -765,9 +760,7 @@ BoundingBox DAGCell::bounding_box() const
 
 DAGSurface::DAGSurface(std::shared_ptr<moab::DagMC> dag_ptr, int32_t dag_idx)
   : Surface {}, dagmc_ptr_(dag_ptr), dag_index_(dag_idx)
-{
-  geom_type() = GeometryType::DAG;
-} // empty constructor
+{} // empty constructor
 
 moab::EntityHandle DAGSurface::mesh_handle() const
 {
diff --git a/src/surface.cpp b/src/surface.cpp
index 30a8d1f21..3658b3fa1 100644
--- a/src/surface.cpp
+++ b/src/surface.cpp
@@ -187,15 +187,6 @@ void Surface::to_hdf5(hid_t group_id) const
   close_group(surf_group);
 }
 
-CSGSurface::CSGSurface() : Surface {}
-{
-  geom_type() = GeometryType::CSG;
-};
-CSGSurface::CSGSurface(pugi::xml_node surf_node) : Surface {surf_node}
-{
-  geom_type() = GeometryType::CSG;
-};
-
 //==============================================================================
 // Generic functions for x-, y-, and z-, planes.
 //==============================================================================
@@ -218,7 +209,7 @@ double axis_aligned_plane_distance(
 // SurfaceXPlane implementation
 //==============================================================================
 
-SurfaceXPlane::SurfaceXPlane(pugi::xml_node surf_node) : CSGSurface(surf_node)
+SurfaceXPlane::SurfaceXPlane(pugi::xml_node surf_node) : Surface(surf_node)
 {
   read_coeffs(surf_node, id_, {&x0_});
 }
@@ -258,7 +249,7 @@ BoundingBox SurfaceXPlane::bounding_box(bool pos_side) const
 // SurfaceYPlane implementation
 //==============================================================================
 
-SurfaceYPlane::SurfaceYPlane(pugi::xml_node surf_node) : CSGSurface(surf_node)
+SurfaceYPlane::SurfaceYPlane(pugi::xml_node surf_node) : Surface(surf_node)
 {
   read_coeffs(surf_node, id_, {&y0_});
 }
@@ -298,7 +289,7 @@ BoundingBox SurfaceYPlane::bounding_box(bool pos_side) const
 // SurfaceZPlane implementation
 //==============================================================================
 
-SurfaceZPlane::SurfaceZPlane(pugi::xml_node surf_node) : CSGSurface(surf_node)
+SurfaceZPlane::SurfaceZPlane(pugi::xml_node surf_node) : Surface(surf_node)
 {
   read_coeffs(surf_node, id_, {&z0_});
 }
@@ -338,7 +329,7 @@ BoundingBox SurfaceZPlane::bounding_box(bool pos_side) const
 // SurfacePlane implementation
 //==============================================================================
 
-SurfacePlane::SurfacePlane(pugi::xml_node surf_node) : CSGSurface(surf_node)
+SurfacePlane::SurfacePlane(pugi::xml_node surf_node) : Surface(surf_node)
 {
   read_coeffs(surf_node, id_, {&A_, &B_, &C_, &D_});
 }
@@ -457,7 +448,7 @@ Direction axis_aligned_cylinder_normal(
 //==============================================================================
 
 SurfaceXCylinder::SurfaceXCylinder(pugi::xml_node surf_node)
-  : CSGSurface(surf_node)
+  : Surface(surf_node)
 {
   read_coeffs(surf_node, id_, {&y0_, &z0_, &radius_});
 }
@@ -500,7 +491,7 @@ BoundingBox SurfaceXCylinder::bounding_box(bool pos_side) const
 //==============================================================================
 
 SurfaceYCylinder::SurfaceYCylinder(pugi::xml_node surf_node)
-  : CSGSurface(surf_node)
+  : Surface(surf_node)
 {
   read_coeffs(surf_node, id_, {&x0_, &z0_, &radius_});
 }
@@ -544,7 +535,7 @@ BoundingBox SurfaceYCylinder::bounding_box(bool pos_side) const
 //==============================================================================
 
 SurfaceZCylinder::SurfaceZCylinder(pugi::xml_node surf_node)
-  : CSGSurface(surf_node)
+  : Surface(surf_node)
 {
   read_coeffs(surf_node, id_, {&x0_, &y0_, &radius_});
 }
@@ -587,7 +578,7 @@ BoundingBox SurfaceZCylinder::bounding_box(bool pos_side) const
 // SurfaceSphere implementation
 //==============================================================================
 
-SurfaceSphere::SurfaceSphere(pugi::xml_node surf_node) : CSGSurface(surf_node)
+SurfaceSphere::SurfaceSphere(pugi::xml_node surf_node) : Surface(surf_node)
 {
   read_coeffs(surf_node, id_, {&x0_, &y0_, &z0_, &radius_});
 }
@@ -753,7 +744,7 @@ Direction axis_aligned_cone_normal(
 // SurfaceXCone implementation
 //==============================================================================
 
-SurfaceXCone::SurfaceXCone(pugi::xml_node surf_node) : CSGSurface(surf_node)
+SurfaceXCone::SurfaceXCone(pugi::xml_node surf_node) : Surface(surf_node)
 {
   read_coeffs(surf_node, id_, {&x0_, &y0_, &z0_, &radius_sq_});
 }
@@ -785,7 +776,7 @@ void SurfaceXCone::to_hdf5_inner(hid_t group_id) const
 // SurfaceYCone implementation
 //==============================================================================
 
-SurfaceYCone::SurfaceYCone(pugi::xml_node surf_node) : CSGSurface(surf_node)
+SurfaceYCone::SurfaceYCone(pugi::xml_node surf_node) : Surface(surf_node)
 {
   read_coeffs(surf_node, id_, {&x0_, &y0_, &z0_, &radius_sq_});
 }
@@ -817,7 +808,7 @@ void SurfaceYCone::to_hdf5_inner(hid_t group_id) const
 // SurfaceZCone implementation
 //==============================================================================
 
-SurfaceZCone::SurfaceZCone(pugi::xml_node surf_node) : CSGSurface(surf_node)
+SurfaceZCone::SurfaceZCone(pugi::xml_node surf_node) : Surface(surf_node)
 {
   read_coeffs(surf_node, id_, {&x0_, &y0_, &z0_, &radius_sq_});
 }
@@ -849,7 +840,7 @@ void SurfaceZCone::to_hdf5_inner(hid_t group_id) const
 // SurfaceQuadric implementation
 //==============================================================================
 
-SurfaceQuadric::SurfaceQuadric(pugi::xml_node surf_node) : CSGSurface(surf_node)
+SurfaceQuadric::SurfaceQuadric(pugi::xml_node surf_node) : Surface(surf_node)
 {
   read_coeffs(
     surf_node, id_, {&A_, &B_, &C_, &D_, &E_, &F_, &G_, &H_, &J_, &K_});
@@ -1009,7 +1000,7 @@ double torus_distance(double x1, double x2, double x3, double u1, double u2,
 // SurfaceXTorus implementation
 //==============================================================================
 
-SurfaceXTorus::SurfaceXTorus(pugi::xml_node surf_node) : CSGSurface(surf_node)
+SurfaceXTorus::SurfaceXTorus(pugi::xml_node surf_node) : Surface(surf_node)
 {
   read_coeffs(surf_node, id_, {&x0_, &y0_, &z0_, &A_, &B_, &C_});
 }
@@ -1062,7 +1053,7 @@ Direction SurfaceXTorus::normal(Position r) const
 // SurfaceYTorus implementation
 //==============================================================================
 
-SurfaceYTorus::SurfaceYTorus(pugi::xml_node surf_node) : CSGSurface(surf_node)
+SurfaceYTorus::SurfaceYTorus(pugi::xml_node surf_node) : Surface(surf_node)
 {
   read_coeffs(surf_node, id_, {&x0_, &y0_, &z0_, &A_, &B_, &C_});
 }
@@ -1115,7 +1106,7 @@ Direction SurfaceYTorus::normal(Position r) const
 // SurfaceZTorus implementation
 //==============================================================================
 
-SurfaceZTorus::SurfaceZTorus(pugi::xml_node surf_node) : CSGSurface(surf_node)
+SurfaceZTorus::SurfaceZTorus(pugi::xml_node surf_node) : Surface(surf_node)
 {
   read_coeffs(surf_node, id_, {&x0_, &y0_, &z0_, &A_, &B_, &C_});
 }

From aa4de82258424ae9f1dbbb7650ae0ba6b1b6c8b5 Mon Sep 17 00:00:00 2001
From: Gavin Ridley <gavin.keith.ridley@gmail.com>
Date: Wed, 19 Feb 2025 19:03:20 -0600
Subject: [PATCH 2247/2654] remove gsl-lite dependency (#3225)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 .gitmodules                                   |   3 -
 CMakeLists.txt                                |  15 +-
 MANIFEST.in                                   |   1 -
 cmake/OpenMCConfig.cmake.in                   |   1 -
 include/openmc/cell.h                         |   7 +-
 include/openmc/distribution.h                 |   6 +-
 include/openmc/distribution_spatial.h         |   5 +-
 include/openmc/interpolate.h                  |  12 +-
 include/openmc/material.h                     |  10 +-
 include/openmc/mcpl_interface.h               |  10 +-
 include/openmc/mesh.h                         |   6 +-
 include/openmc/nuclide.h                      |  10 +-
 include/openmc/photon.h                       |   3 +-
 include/openmc/reaction.h                     |   8 +-
 include/openmc/span.h                         | 237 ++++++++++++++++++
 include/openmc/state_point.h                  |  14 +-
 include/openmc/tallies/filter.h               |   5 +-
 include/openmc/tallies/filter_azimuthal.h     |   5 +-
 include/openmc/tallies/filter_cell.h          |   5 +-
 include/openmc/tallies/filter_cell_instance.h |   9 +-
 include/openmc/tallies/filter_collision.h     |   4 +-
 include/openmc/tallies/filter_delayedgroup.h  |   5 +-
 include/openmc/tallies/filter_energy.h        |   5 +-
 include/openmc/tallies/filter_energyfunc.h    |   3 +-
 include/openmc/tallies/filter_material.h      |   5 +-
 include/openmc/tallies/filter_mu.h            |   5 +-
 include/openmc/tallies/filter_musurface.h     |   2 -
 include/openmc/tallies/filter_particle.h      |   3 +-
 include/openmc/tallies/filter_polar.h         |   5 +-
 include/openmc/tallies/filter_sph_harm.h      |   4 +-
 include/openmc/tallies/filter_surface.h       |   5 +-
 include/openmc/tallies/filter_time.h          |   5 +-
 include/openmc/tallies/filter_universe.h      |   5 +-
 include/openmc/tallies/tally.h                |   6 +-
 include/openmc/volume_calc.h                  |   1 -
 include/openmc/weight_windows.h               |  12 +-
 src/cell.cpp                                  |  16 +-
 src/dagmc.cpp                                 |   4 +-
 src/distribution.cpp                          |   8 +-
 src/distribution_spatial.cpp                  |   4 +-
 src/geometry_aux.cpp                          |   2 +-
 src/material.cpp                              |  15 +-
 src/mcpl_interface.cpp                        |   6 +-
 src/mesh.cpp                                  |  12 +-
 src/nuclide.cpp                               |  25 +-
 src/reaction.cpp                              |   8 +-
 src/secondary_thermal.cpp                     |   5 +-
 src/simulation.cpp                            |   6 +-
 src/state_point.cpp                           |   8 +-
 src/surface.cpp                               |   1 -
 src/tallies/filter.cpp                        |   5 +-
 src/tallies/filter_azimuthal.cpp              |   4 +-
 src/tallies/filter_cell.cpp                   |   8 +-
 src/tallies/filter_cell_instance.cpp          |  27 +-
 src/tallies/filter_collision.cpp              |   4 +-
 src/tallies/filter_delayedgroup.cpp           |   2 +-
 src/tallies/filter_distribcell.cpp            |   6 +-
 src/tallies/filter_energy.cpp                 |   6 +-
 src/tallies/filter_energyfunc.cpp             |   4 +-
 src/tallies/filter_material.cpp               |   8 +-
 src/tallies/filter_mesh.cpp                   |   1 -
 src/tallies/filter_mu.cpp                     |   4 +-
 src/tallies/filter_particle.cpp               |   2 +-
 src/tallies/filter_polar.cpp                  |   4 +-
 src/tallies/filter_sph_harm.cpp               |   8 +-
 src/tallies/filter_surface.cpp                |   8 +-
 src/tallies/filter_time.cpp                   |   2 +-
 src/tallies/filter_universe.cpp               |   8 +-
 src/tallies/filter_zernike.cpp                |   4 +-
 src/tallies/tally.cpp                         |  11 +-
 src/weight_windows.cpp                        |  11 +-
 vendor/gsl-lite                               |   1 -
 72 files changed, 458 insertions(+), 247 deletions(-)
 create mode 100644 include/openmc/span.h
 delete mode 160000 vendor/gsl-lite

diff --git a/.gitmodules b/.gitmodules
index 4dde5fd5e..f84d09bb1 100644
--- a/.gitmodules
+++ b/.gitmodules
@@ -1,9 +1,6 @@
 [submodule "vendor/pugixml"]
 	path = vendor/pugixml
 	url = https://github.com/zeux/pugixml.git
-[submodule "vendor/gsl-lite"]
-	path = vendor/gsl-lite
-	url = https://github.com/martinmoene/gsl-lite.git
 [submodule "vendor/xtensor"]
 	path = vendor/xtensor
 	url = https://github.com/xtensor-stack/xtensor.git
diff --git a/CMakeLists.txt b/CMakeLists.txt
index 94caec757..35694a14b 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -293,19 +293,6 @@ if (NOT xtensor_FOUND)
   add_subdirectory(vendor/xtensor)
 endif()
 
-#===============================================================================
-# GSL header-only library
-#===============================================================================
-
-find_package_write_status(gsl-lite)
-if (NOT gsl-lite_FOUND)
-  add_subdirectory(vendor/gsl-lite)
-
-  # Make sure contract violations throw exceptions
-  target_compile_definitions(gsl-lite-v1 INTERFACE GSL_THROW_ON_CONTRACT_VIOLATION)
-  target_compile_definitions(gsl-lite-v1 INTERFACE gsl_CONFIG_ALLOWS_NONSTRICT_SPAN_COMPARISON=1)
-endif()
-
 #===============================================================================
 # Catch2 library
 #===============================================================================
@@ -519,7 +506,7 @@ endif()
 # target_link_libraries treats any arguments starting with - but not -l as
 # linker flags. Thus, we can pass both linker flags and libraries together.
 target_link_libraries(libopenmc ${ldflags} ${HDF5_LIBRARIES} ${HDF5_HL_LIBRARIES}
-                      xtensor gsl::gsl-lite-v1 fmt::fmt ${CMAKE_DL_LIBS})
+                      xtensor fmt::fmt ${CMAKE_DL_LIBS})
 
 if(TARGET pugixml::pugixml)
   target_link_libraries(libopenmc pugixml::pugixml)
diff --git a/MANIFEST.in b/MANIFEST.in
index b73218af0..cdc7e2abc 100644
--- a/MANIFEST.in
+++ b/MANIFEST.in
@@ -43,6 +43,5 @@ recursive-include vendor *.hh
 recursive-include vendor *.hpp
 recursive-include vendor *.pc.in
 recursive-include vendor *.natvis
-include vendor/gsl-lite/include/gsl/gsl
 prune docs/build
 prune docs/source/pythonapi/generated/
diff --git a/cmake/OpenMCConfig.cmake.in b/cmake/OpenMCConfig.cmake.in
index b02bbffe5..21c552303 100644
--- a/cmake/OpenMCConfig.cmake.in
+++ b/cmake/OpenMCConfig.cmake.in
@@ -1,7 +1,6 @@
 get_filename_component(OpenMC_CMAKE_DIR "${CMAKE_CURRENT_LIST_FILE}" DIRECTORY)
 
 find_package(fmt REQUIRED HINTS ${OpenMC_CMAKE_DIR}/../fmt)
-find_package(gsl-lite REQUIRED HINTS ${OpenMC_CMAKE_DIR}/../gsl-lite)
 find_package(pugixml REQUIRED HINTS ${OpenMC_CMAKE_DIR}/../pugixml)
 find_package(xtl REQUIRED HINTS ${OpenMC_CMAKE_DIR}/../xtl)
 find_package(xtensor REQUIRED HINTS ${OpenMC_CMAKE_DIR}/../xtensor)
diff --git a/include/openmc/cell.h b/include/openmc/cell.h
index 05abbfdfa..98709fb33 100644
--- a/include/openmc/cell.h
+++ b/include/openmc/cell.h
@@ -10,7 +10,6 @@
 
 #include "hdf5.h"
 #include "pugixml.hpp"
-#include <gsl/gsl-lite.hpp>
 
 #include "openmc/bounding_box.h"
 #include "openmc/constants.h"
@@ -128,7 +127,7 @@ private:
   void add_precedence();
 
   //! Add parenthesis to enforce precedence
-  gsl::index add_parentheses(gsl::index start);
+  int64_t add_parentheses(int64_t start);
 
   //! Remove complement operators from the expression
   void remove_complement_ops();
@@ -418,8 +417,8 @@ struct CellInstance {
     return index_cell == other.index_cell && instance == other.instance;
   }
 
-  gsl::index index_cell;
-  gsl::index instance;
+  int64_t index_cell;
+  int64_t instance;
 };
 
 //! Structure necessary for inserting CellInstance into hashed STL data
diff --git a/include/openmc/distribution.h b/include/openmc/distribution.h
index e70c803de..854cf7d77 100644
--- a/include/openmc/distribution.h
+++ b/include/openmc/distribution.h
@@ -7,10 +7,10 @@
 #include <cstddef> // for size_t
 
 #include "pugixml.hpp"
-#include <gsl/gsl-lite.hpp>
 
 #include "openmc/constants.h"
 #include "openmc/memory.h" // for unique_ptr
+#include "openmc/span.h"
 #include "openmc/vector.h" // for vector
 
 namespace openmc {
@@ -44,9 +44,9 @@ class DiscreteIndex {
 public:
   DiscreteIndex() {};
   DiscreteIndex(pugi::xml_node node);
-  DiscreteIndex(gsl::span<const double> p);
+  DiscreteIndex(span<const double> p);
 
-  void assign(gsl::span<const double> p);
+  void assign(span<const double> p);
 
   //! Sample a value from the distribution
   //! \param seed Pseudorandom number seed pointer
diff --git a/include/openmc/distribution_spatial.h b/include/openmc/distribution_spatial.h
index 8ff766d13..9c3bc743f 100644
--- a/include/openmc/distribution_spatial.h
+++ b/include/openmc/distribution_spatial.h
@@ -6,6 +6,7 @@
 #include "openmc/distribution.h"
 #include "openmc/mesh.h"
 #include "openmc/position.h"
+#include "openmc/span.h"
 
 namespace openmc {
 
@@ -104,7 +105,7 @@ private:
 class MeshSpatial : public SpatialDistribution {
 public:
   explicit MeshSpatial(pugi::xml_node node);
-  explicit MeshSpatial(int32_t mesh_id, gsl::span<const double> strengths);
+  explicit MeshSpatial(int32_t mesh_id, span<const double> strengths);
 
   //! Sample a position from the distribution
   //! \param seed Pseudorandom number seed pointer
@@ -144,7 +145,7 @@ class PointCloud : public SpatialDistribution {
 public:
   explicit PointCloud(pugi::xml_node node);
   explicit PointCloud(
-    std::vector<Position> point_cloud, gsl::span<const double> strengths);
+    std::vector<Position> point_cloud, span<const double> strengths);
 
   //! Sample a position from the distribution
   //! \param seed Pseudorandom number seed pointer
diff --git a/include/openmc/interpolate.h b/include/openmc/interpolate.h
index db501f71b..31ae8b0e3 100644
--- a/include/openmc/interpolate.h
+++ b/include/openmc/interpolate.h
@@ -4,10 +4,9 @@
 #include <cmath>
 #include <vector>
 
-#include <gsl/gsl-lite.hpp>
-
 #include "openmc/error.h"
 #include "openmc/search.h"
+#include "openmc/span.h"
 
 namespace openmc {
 
@@ -36,8 +35,8 @@ inline double interpolate_log_log(
   return y0 * std::exp(f * std::log(y1 / y0));
 }
 
-inline double interpolate_lagrangian(gsl::span<const double> xs,
-  gsl::span<const double> ys, int idx, double x, int order)
+inline double interpolate_lagrangian(
+  span<const double> xs, span<const double> ys, int idx, double x, int order)
 {
   double output {0.0};
 
@@ -56,9 +55,8 @@ inline double interpolate_lagrangian(gsl::span<const double> xs,
   return output;
 }
 
-inline double interpolate(gsl::span<const double> xs,
-  gsl::span<const double> ys, double x,
-  Interpolation i = Interpolation::lin_lin)
+inline double interpolate(span<const double> xs, span<const double> ys,
+  double x, Interpolation i = Interpolation::lin_lin)
 {
   int idx = lower_bound_index(xs.begin(), xs.end(), x);
 
diff --git a/include/openmc/material.h b/include/openmc/material.h
index 9235be356..31fab2ae2 100644
--- a/include/openmc/material.h
+++ b/include/openmc/material.h
@@ -4,9 +4,9 @@
 #include <string>
 #include <unordered_map>
 
+#include "openmc/span.h"
 #include "pugixml.hpp"
 #include "xtensor/xtensor.hpp"
-#include <gsl/gsl-lite.hpp>
 #include <hdf5.h>
 
 #include "openmc/bremsstrahlung.h"
@@ -118,21 +118,21 @@ public:
   //
   //! \param[in] density Density value
   //! \param[in] units Units of density
-  void set_density(double density, gsl::cstring_span units);
+  void set_density(double density, const std::string& units);
 
   //! Set temperature of the material
   void set_temperature(double temperature) { temperature_ = temperature; };
 
   //! Get nuclides in material
   //! \return Indices into the global nuclides vector
-  gsl::span<const int> nuclides() const
+  span<const int> nuclides() const
   {
     return {nuclide_.data(), nuclide_.size()};
   }
 
   //! Get densities of each nuclide in material
   //! \return Densities in [atom/b-cm]
-  gsl::span<const double> densities() const
+  span<const double> densities() const
   {
     return {atom_density_.data(), atom_density_.size()};
   }
@@ -210,7 +210,7 @@ private:
 
   //----------------------------------------------------------------------------
   // Private data members
-  gsl::index index_;
+  int64_t index_;
 
   bool depletable_ {false}; //!< Is the material depletable?
   bool fissionable_ {
diff --git a/include/openmc/mcpl_interface.h b/include/openmc/mcpl_interface.h
index 1f0c94d6d..e5c182280 100644
--- a/include/openmc/mcpl_interface.h
+++ b/include/openmc/mcpl_interface.h
@@ -2,10 +2,9 @@
 #define OPENMC_MCPL_INTERFACE_H
 
 #include "openmc/particle_data.h"
+#include "openmc/span.h"
 #include "openmc/vector.h"
 
-#include <gsl/gsl-lite.hpp>
-
 #include <string>
 
 namespace openmc {
@@ -30,13 +29,14 @@ vector<SourceSite> mcpl_source_sites(std::string path);
 //
 //! \param[in] filename     Path to MCPL file
 //! \param[in] source_bank  Vector of SourceSites to write to file for this
-//!                         MPI rank
+//!                         MPI rank. Note that this can't be const due to
+//!                         it being used as work space by MPI.
 //! \param[in] bank_indx    Pointer to vector of site index ranges over all
 //!                         MPI ranks. This can be computed by calling
 //!                         calculate_parallel_index_vector on
 //!                         source_bank.size().
-void write_mcpl_source_point(const char* filename,
-  gsl::span<SourceSite> source_bank, vector<int64_t> const& bank_index);
+void write_mcpl_source_point(const char* filename, span<SourceSite> source_bank,
+  const vector<int64_t>& bank_index);
 } // namespace openmc
 
 #endif // OPENMC_MCPL_INTERFACE_H
diff --git a/include/openmc/mesh.h b/include/openmc/mesh.h
index bd86d54fb..3aef49c7e 100644
--- a/include/openmc/mesh.h
+++ b/include/openmc/mesh.h
@@ -9,13 +9,13 @@
 #include "hdf5.h"
 #include "pugixml.hpp"
 #include "xtensor/xtensor.hpp"
-#include <gsl/gsl-lite.hpp>
 
 #include "openmc/bounding_box.h"
 #include "openmc/error.h"
 #include "openmc/memory.h" // for unique_ptr
 #include "openmc/particle.h"
 #include "openmc/position.h"
+#include "openmc/span.h"
 #include "openmc/vector.h"
 #include "openmc/xml_interface.h"
 
@@ -179,8 +179,8 @@ public:
   //! \param[out] Array of (material index, volume) for desired element
   //! \param[inout] seed Pseudorandom number seed
   //! \return Number of materials within element
-  int material_volumes(int n_sample, int bin, gsl::span<MaterialVolume> volumes,
-    uint64_t* seed) const;
+  int material_volumes(
+    int n_sample, int bin, span<MaterialVolume> volumes, uint64_t* seed) const;
 
   //! Determine volume of materials within a single mesh elemenet
   //
diff --git a/include/openmc/nuclide.h b/include/openmc/nuclide.h
index 1cc9d2972..329c776d0 100644
--- a/include/openmc/nuclide.h
+++ b/include/openmc/nuclide.h
@@ -7,7 +7,6 @@
 #include <unordered_map>
 #include <utility> // for pair
 
-#include <gsl/gsl-lite.hpp>
 #include <hdf5.h>
 
 #include "openmc/array.h"
@@ -17,6 +16,7 @@
 #include "openmc/particle.h"
 #include "openmc/reaction.h"
 #include "openmc/reaction_product.h"
+#include "openmc/span.h"
 #include "openmc/urr.h"
 #include "openmc/vector.h"
 #include "openmc/wmp.h"
@@ -81,8 +81,8 @@ public:
   //! \param[in] energy Energy group boundaries in [eV]
   //! \param[in] flux Flux in each energy group (not normalized per eV)
   //! \return Reaction rate
-  double collapse_rate(int MT, double temperature,
-    gsl::span<const double> energy, gsl::span<const double> flux) const;
+  double collapse_rate(int MT, double temperature, span<const double> energy,
+    span<const double> flux) const;
 
   //============================================================================
   // Data members
@@ -91,7 +91,7 @@ public:
   int A_;            //!< Mass number
   int metastable_;   //!< Metastable state
   double awr_;       //!< Atomic weight ratio
-  gsl::index index_; //!< Index in the nuclides array
+  int64_t index_;    //!< Index in the nuclides array
 
   // Temperature dependent cross section data
   vector<double> kTs_;                //!< temperatures in eV (k*T)
@@ -138,7 +138,7 @@ private:
   //
   //! \param[in] T Temperature in [K]
   //! \return Temperature index and interpolation factor
-  std::pair<gsl::index, double> find_temperature(double T) const;
+  std::pair<int64_t, double> find_temperature(double T) const;
 
   static int XS_TOTAL;
   static int XS_ABSORPTION;
diff --git a/include/openmc/photon.h b/include/openmc/photon.h
index 9901c8c6d..1fee6c9f5 100644
--- a/include/openmc/photon.h
+++ b/include/openmc/photon.h
@@ -7,7 +7,6 @@
 #include "openmc/vector.h"
 
 #include "xtensor/xtensor.hpp"
-#include <gsl/gsl-lite.hpp>
 #include <hdf5.h>
 
 #include <string>
@@ -61,7 +60,7 @@ public:
   // Data members
   std::string name_; //!< Name of element, e.g. "Zr"
   int Z_;            //!< Atomic number
-  gsl::index index_; //!< Index in global elements vector
+  int64_t index_;    //!< Index in global elements vector
 
   // Microscopic cross sections
   xt::xtensor<double, 1> energy_;
diff --git a/include/openmc/reaction.h b/include/openmc/reaction.h
index 93987d9d7..d5f04d136 100644
--- a/include/openmc/reaction.h
+++ b/include/openmc/reaction.h
@@ -7,10 +7,10 @@
 #include <string>
 
 #include "hdf5.h"
-#include <gsl/gsl-lite.hpp>
 
 #include "openmc/particle_data.h"
 #include "openmc/reaction_product.h"
+#include "openmc/span.h"
 #include "openmc/vector.h"
 
 namespace openmc {
@@ -33,7 +33,7 @@ public:
   //! \param[in] i_temp Temperature index
   //! \param[in] i_grid Energy grid index
   //! \param[in] interp_factor Interpolation factor between grid points
-  double xs(gsl::index i_temp, gsl::index i_grid, double interp_factor) const;
+  double xs(int64_t i_temp, int64_t i_grid, double interp_factor) const;
 
   //! Calculate cross section
   //
@@ -47,8 +47,8 @@ public:
   //! \param[in] flux Flux in each energy group (not normalized per eV)
   //! \param[in] grid Nuclide energy grid
   //! \return Reaction rate
-  double collapse_rate(gsl::index i_temp, gsl::span<const double> energy,
-    gsl::span<const double> flux, const vector<double>& grid) const;
+  double collapse_rate(int64_t i_temp, span<const double> energy,
+    span<const double> flux, const vector<double>& grid) const;
 
   //! Cross section at a single temperature
   struct TemperatureXS {
diff --git a/include/openmc/span.h b/include/openmc/span.h
new file mode 100644
index 000000000..723bccd76
--- /dev/null
+++ b/include/openmc/span.h
@@ -0,0 +1,237 @@
+#ifndef OPENMC_SPAN_H
+#define OPENMC_SPAN_H
+#include <cstddef>   // for std::size_t, std::ptrdiff_t
+#include <iterator>  // for std::begin, std::end
+#include <stdexcept> // for std::out_of_range
+#include <type_traits>
+
+#include "openmc/vector.h"
+
+namespace openmc {
+
+template<typename T>
+class span {
+public:
+  using value_type = T;
+  using pointer = T*;
+  using const_pointer = const T*;
+  using reference = T&;
+  using const_reference = const T&;
+  using iterator = T*;
+  using const_iterator = const T*;
+  using size_type = std::size_t;
+  using difference_type = std::ptrdiff_t;
+
+  /**
+   * @brief Default constructor for an empty span.
+   */
+  span() noexcept : data_(nullptr), size_(0) {}
+
+  /**
+   * @brief Constructs a span from a pointer and size.
+   * @param ptr Pointer to the first element.
+   * @param count Number of elements in the span.
+   */
+  span(pointer ptr, size_type count) : data_(ptr), size_(count) {}
+
+  /**
+   * @brief Constructs a span from two pointers marking the span range.
+   * @param first Pointer to the first element.
+   * @param last Pointer past the last element.
+   * @throws std::out_of_range if last < first.
+   */
+  span(pointer first, pointer last) : data_(first), size_(last - first)
+  {
+    if (last < first) {
+      throw std::out_of_range("span: last pointer is before first pointer");
+    }
+  }
+
+  /**
+   * @brief Constructs a span from a non-const std::vector.
+   * @param vec Reference to the vector to create a span from.
+   */
+  span(std::vector<T>& vec) : data_(vec.data()), size_(vec.size()) {}
+
+  /**
+   * @brief Constructs a span from a const std::vector.
+   *
+   * This is handling the semantics that a span<const double> is used
+   * for read-only access into a vector.
+   * @param vec Reference to the const vector to create a span from.
+   */
+  template<typename U = T,
+    typename = std::enable_if_t<std::is_same<U, const T>::value>>
+  span(const std::vector<std::remove_const_t<U>>& vec)
+    : data_(vec.data()), size_(vec.size())
+  {}
+
+  /**
+   * @brief Constructs a read-only span<const T> from a non-const span<T>.
+   */
+  template<typename U = T, typename = std::enable_if_t<std::is_const<U>::value>>
+  span(const span<std::remove_const_t<U>>& other) noexcept
+    : data_(other.data()), size_(other.size())
+  {}
+
+  /**
+   * @brief Access an element without bounds checking.
+   * @param index Index of the element to access.
+   * @return Reference to the accessed element.
+   */
+  reference operator[](size_type index) { return data_[index]; }
+
+  /**
+   * @brief Access an element without bounds checking (const version).
+   * @param index Index of the element to access.
+   * @return Const reference to the accessed element.
+   */
+  const_reference operator[](size_type index) const { return data_[index]; }
+
+  /**
+   * @brief Access an element with bounds checking.
+   * @param index Index of the element to access.
+   * @return Reference to the accessed element.
+   * @throws std::out_of_range if index is out of range.
+   */
+  reference at(size_type index)
+  {
+    if (index >= size_) {
+      throw std::out_of_range("span: index out of range");
+    }
+    return data_[index];
+  }
+
+  /**
+   * @brief Access an element with bounds checking (const version).
+   * @param index Index of the element to access.
+   * @return Const reference to the accessed element.
+   * @throws std::out_of_range if index is out of range.
+   */
+  const_reference at(size_type index) const
+  {
+    if (index >= size_) {
+      throw std::out_of_range("span: index out of range");
+    }
+    return data_[index];
+  }
+
+  /**
+   * @brief Get a pointer to the underlying data.
+   * @return Pointer to the data, or nullptr if the span is empty.
+   */
+  pointer data() noexcept { return data_; }
+
+  /**
+   * @brief Get a const pointer to the underlying data.
+   * @return Const pointer to the data, or nullptr if the span is empty.
+   */
+  const_pointer data() const noexcept { return data_; }
+
+  /**
+   * @brief Get the number of elements in the span.
+   * @return The size of the span.
+   */
+  size_type size() const noexcept { return size_; }
+
+  /**
+   * @brief Check if the span is empty.
+   * @return True if the span is empty, false otherwise.
+   */
+  bool empty() const noexcept { return size_ == 0; }
+
+  /**
+   * @brief Get an iterator to the beginning of the span.
+   * @return Iterator pointing to the first element.
+   */
+  iterator begin() noexcept { return data_; }
+
+  /**
+   * @brief Get a const iterator to the beginning of the span.
+   * @return Const iterator pointing to the first element.
+   */
+  const_iterator begin() const noexcept { return data_; }
+
+  /**
+   * @brief Get a const iterator to the beginning of the span.
+   * @return Const iterator pointing to the first element.
+   */
+  const_iterator cbegin() const noexcept { return data_; }
+
+  /**
+   * @brief Get an iterator to the end of the span.
+   * @return Iterator pointing past the last element.
+   */
+  iterator end() noexcept { return data_ + size_; }
+
+  /**
+   * @brief Get a const iterator to the end of the span.
+   * @return Const iterator pointing past the last element.
+   */
+  const_iterator end() const noexcept { return data_ + size_; }
+
+  /**
+   * @brief Get a const iterator to the end of the span.
+   * @return Const iterator pointing past the last element.
+   */
+  const_iterator cend() const noexcept { return data_ + size_; }
+
+  /**
+   * @brief Access the first element.
+   * @return Reference to the first element.
+   * @throws std::out_of_range if the span is empty.
+   */
+  reference front()
+  {
+    if (empty()) {
+      throw std::out_of_range("span::front(): span is empty");
+    }
+    return data_[0];
+  }
+
+  /**
+   * @brief Access the first element (const version).
+   * @return Const reference to the first element.
+   * @throws std::out_of_range if the span is empty.
+   */
+  const_reference front() const
+  {
+    if (empty()) {
+      throw std::out_of_range("span::front(): span is empty");
+    }
+    return data_[0];
+  }
+
+  /**
+   * @brief Access the last element.
+   * @return Reference to the last element.
+   * @throws std::out_of_range if the span is empty.
+   */
+  reference back()
+  {
+    if (empty()) {
+      throw std::out_of_range("span::back(): span is empty");
+    }
+    return data_[size_ - 1];
+  }
+
+  /**
+   * @brief Access the last element (const version).
+   * @return Const reference to the last element.
+   * @throws std::out_of_range if the span is empty.
+   */
+  const_reference back() const
+  {
+    if (empty()) {
+      throw std::out_of_range("span::back(): span is empty");
+    }
+    return data_[size_ - 1];
+  }
+
+private:
+  pointer data_;
+  size_type size_;
+};
+
+} // namespace openmc
+#endif // OPENMC_SPAN_H
diff --git a/include/openmc/state_point.h b/include/openmc/state_point.h
index f0d41e169..fb1aaf7b9 100644
--- a/include/openmc/state_point.h
+++ b/include/openmc/state_point.h
@@ -4,13 +4,12 @@
 #include <cstdint>
 #include <string>
 
-#include <gsl/gsl-lite.hpp>
-
 #include "hdf5.h"
 
 #include "openmc/capi.h"
 #include "openmc/particle.h"
 #include "openmc/shared_array.h"
+#include "openmc/span.h"
 #include "openmc/vector.h"
 
 namespace openmc {
@@ -34,15 +33,18 @@ void load_state_point();
 // values on each rank, used to create global indexing. This vector
 // can be created by calling calculate_parallel_index_vector on
 // source_bank.size() if such a vector is not already available.
-void write_h5_source_point(const char* filename,
-  gsl::span<SourceSite> source_bank, const vector<int64_t>& bank_index);
+//
+// The source_bank variable is used as work space if MPI is used,
+// so it cannot be given as a const span.
+void write_h5_source_point(const char* filename, span<SourceSite> source_bank,
+  const vector<int64_t>& bank_index);
 
-void write_source_point(std::string, gsl::span<SourceSite> source_bank,
+void write_source_point(std::string, span<SourceSite> source_bank,
   const vector<int64_t>& bank_index, bool use_mcpl);
 
 // This appends a source bank specification to an HDF5 file
 // that's already open. It is used internally by write_source_point.
-void write_source_bank(hid_t group_id, gsl::span<SourceSite> source_bank,
+void write_source_bank(hid_t group_id, span<SourceSite> source_bank,
   const vector<int64_t>& bank_index);
 
 void read_source_bank(
diff --git a/include/openmc/tallies/filter.h b/include/openmc/tallies/filter.h
index 210ab284b..31dd609ed 100644
--- a/include/openmc/tallies/filter.h
+++ b/include/openmc/tallies/filter.h
@@ -6,7 +6,6 @@
 #include <unordered_map>
 
 #include "pugixml.hpp"
-#include <gsl/gsl-lite.hpp>
 
 #include "openmc/constants.h"
 #include "openmc/hdf5_interface.h"
@@ -130,7 +129,7 @@ public:
   //! \return Number of bins
   int n_bins() const { return n_bins_; }
 
-  gsl::index index() const { return index_; }
+  int64_t index() const { return index_; }
 
   //----------------------------------------------------------------------------
   // Data members
@@ -140,7 +139,7 @@ protected:
 
 private:
   int32_t id_ {C_NONE};
-  gsl::index index_;
+  int64_t index_;
 };
 
 //==============================================================================
diff --git a/include/openmc/tallies/filter_azimuthal.h b/include/openmc/tallies/filter_azimuthal.h
index 37e1ef073..4853c5545 100644
--- a/include/openmc/tallies/filter_azimuthal.h
+++ b/include/openmc/tallies/filter_azimuthal.h
@@ -4,8 +4,7 @@
 #include "openmc/vector.h"
 #include <string>
 
-#include <gsl/gsl-lite.hpp>
-
+#include "openmc/span.h"
 #include "openmc/tallies/filter.h"
 
 namespace openmc {
@@ -39,7 +38,7 @@ public:
   //----------------------------------------------------------------------------
   // Accessors
 
-  void set_bins(gsl::span<double> bins);
+  void set_bins(span<double> bins);
 
 private:
   //----------------------------------------------------------------------------
diff --git a/include/openmc/tallies/filter_cell.h b/include/openmc/tallies/filter_cell.h
index b7ea01ce6..ac6539466 100644
--- a/include/openmc/tallies/filter_cell.h
+++ b/include/openmc/tallies/filter_cell.h
@@ -4,8 +4,7 @@
 #include <cstdint>
 #include <unordered_map>
 
-#include <gsl/gsl-lite.hpp>
-
+#include "openmc/span.h"
 #include "openmc/tallies/filter.h"
 #include "openmc/vector.h"
 
@@ -42,7 +41,7 @@ public:
 
   const vector<int32_t>& cells() const { return cells_; }
 
-  void set_cells(gsl::span<int32_t> cells);
+  void set_cells(span<int32_t> cells);
 
 protected:
   //----------------------------------------------------------------------------
diff --git a/include/openmc/tallies/filter_cell_instance.h b/include/openmc/tallies/filter_cell_instance.h
index f500f4889..69499765b 100644
--- a/include/openmc/tallies/filter_cell_instance.h
+++ b/include/openmc/tallies/filter_cell_instance.h
@@ -4,9 +4,8 @@
 #include <cstdint>
 #include <unordered_map>
 
-#include <gsl/gsl-lite.hpp>
-
 #include "openmc/cell.h"
+#include "openmc/span.h"
 #include "openmc/tallies/filter.h"
 #include "openmc/vector.h"
 
@@ -22,7 +21,7 @@ public:
   // Constructors, destructors
 
   CellInstanceFilter() = default;
-  CellInstanceFilter(gsl::span<CellInstance> instances);
+  CellInstanceFilter(span<CellInstance> instances);
   ~CellInstanceFilter() = default;
 
   //----------------------------------------------------------------------------
@@ -47,7 +46,7 @@ public:
 
   const std::unordered_set<int32_t>& cells() const { return cells_; }
 
-  void set_cell_instances(gsl::span<CellInstance> instances);
+  void set_cell_instances(span<CellInstance> instances);
 
 private:
   //----------------------------------------------------------------------------
@@ -60,7 +59,7 @@ private:
   std::unordered_set<int32_t> cells_;
 
   //! A map from cell/instance indices to filter bin indices.
-  std::unordered_map<CellInstance, gsl::index, CellInstanceHash> map_;
+  std::unordered_map<CellInstance, int64_t, CellInstanceHash> map_;
 
   //! Indicates if filter uses only material-filled cells
   bool material_cells_only_;
diff --git a/include/openmc/tallies/filter_collision.h b/include/openmc/tallies/filter_collision.h
index d2dab70ca..7d42a5ddd 100644
--- a/include/openmc/tallies/filter_collision.h
+++ b/include/openmc/tallies/filter_collision.h
@@ -1,9 +1,9 @@
 #ifndef OPENMC_TALLIES_FILTER_COLLISIONS_H
 #define OPENMC_TALLIES_FILTER_COLLISIONS_H
 
-#include <gsl/gsl-lite.hpp>
 #include <unordered_map>
 
+#include "openmc/span.h"
 #include "openmc/tallies/filter.h"
 #include "openmc/vector.h"
 
@@ -39,7 +39,7 @@ public:
   // Accessors
 
   const vector<int>& bins() const { return bins_; }
-  void set_bins(gsl::span<const int> bins);
+  void set_bins(span<const int> bins);
 
 protected:
   //----------------------------------------------------------------------------
diff --git a/include/openmc/tallies/filter_delayedgroup.h b/include/openmc/tallies/filter_delayedgroup.h
index 71919b2ec..7d11447ab 100644
--- a/include/openmc/tallies/filter_delayedgroup.h
+++ b/include/openmc/tallies/filter_delayedgroup.h
@@ -1,8 +1,7 @@
 #ifndef OPENMC_TALLIES_FILTER_DELAYEDGROUP_H
 #define OPENMC_TALLIES_FILTER_DELAYEDGROUP_H
 
-#include <gsl/gsl-lite.hpp>
-
+#include "openmc/span.h"
 #include "openmc/tallies/filter.h"
 #include "openmc/vector.h"
 
@@ -42,7 +41,7 @@ public:
 
   const vector<int>& groups() const { return groups_; }
 
-  void set_groups(gsl::span<int> groups);
+  void set_groups(span<int> groups);
 
 private:
   //----------------------------------------------------------------------------
diff --git a/include/openmc/tallies/filter_energy.h b/include/openmc/tallies/filter_energy.h
index e35e01a6d..cf8a8aa0f 100644
--- a/include/openmc/tallies/filter_energy.h
+++ b/include/openmc/tallies/filter_energy.h
@@ -1,8 +1,7 @@
 #ifndef OPENMC_TALLIES_FILTER_ENERGY_H
 #define OPENMC_TALLIES_FILTER_ENERGY_H
 
-#include <gsl/gsl-lite.hpp>
-
+#include "openmc/span.h"
 #include "openmc/tallies/filter.h"
 #include "openmc/vector.h"
 
@@ -38,7 +37,7 @@ public:
   // Accessors
 
   const vector<double>& bins() const { return bins_; }
-  void set_bins(gsl::span<const double> bins);
+  void set_bins(span<const double> bins);
 
   bool matches_transport_groups() const { return matches_transport_groups_; }
 
diff --git a/include/openmc/tallies/filter_energyfunc.h b/include/openmc/tallies/filter_energyfunc.h
index d77ef0fa8..e03c23dda 100644
--- a/include/openmc/tallies/filter_energyfunc.h
+++ b/include/openmc/tallies/filter_energyfunc.h
@@ -2,6 +2,7 @@
 #define OPENMC_TALLIES_FILTER_ENERGYFUNC_H
 
 #include "openmc/constants.h"
+#include "openmc/span.h"
 #include "openmc/tallies/filter.h"
 #include "openmc/vector.h"
 
@@ -42,7 +43,7 @@ public:
   const vector<double>& energy() const { return energy_; }
   const vector<double>& y() const { return y_; }
   Interpolation interpolation() const { return interpolation_; }
-  void set_data(gsl::span<const double> energy, gsl::span<const double> y);
+  void set_data(span<const double> energy, span<const double> y);
   void set_interpolation(const std::string& interpolation);
 
 private:
diff --git a/include/openmc/tallies/filter_material.h b/include/openmc/tallies/filter_material.h
index aa5df5b3a..ccfe5403d 100644
--- a/include/openmc/tallies/filter_material.h
+++ b/include/openmc/tallies/filter_material.h
@@ -4,8 +4,7 @@
 #include <cstdint>
 #include <unordered_map>
 
-#include <gsl/gsl-lite.hpp>
-
+#include "openmc/span.h"
 #include "openmc/tallies/filter.h"
 #include "openmc/vector.h"
 
@@ -44,7 +43,7 @@ public:
 
   const vector<int32_t>& materials() const { return materials_; }
 
-  void set_materials(gsl::span<const int32_t> materials);
+  void set_materials(span<const int32_t> materials);
 
 protected:
   //----------------------------------------------------------------------------
diff --git a/include/openmc/tallies/filter_mu.h b/include/openmc/tallies/filter_mu.h
index b0ee40eac..d6e7f1798 100644
--- a/include/openmc/tallies/filter_mu.h
+++ b/include/openmc/tallies/filter_mu.h
@@ -1,8 +1,7 @@
 #ifndef OPENMC_TALLIES_FILTER_MU_H
 #define OPENMC_TALLIES_FILTER_MU_H
 
-#include <gsl/gsl-lite.hpp>
-
+#include "openmc/span.h"
 #include "openmc/tallies/filter.h"
 #include "openmc/vector.h"
 
@@ -38,7 +37,7 @@ public:
   //----------------------------------------------------------------------------
   // Accessors
 
-  void set_bins(gsl::span<double> bins);
+  void set_bins(span<double> bins);
 
 protected:
   //----------------------------------------------------------------------------
diff --git a/include/openmc/tallies/filter_musurface.h b/include/openmc/tallies/filter_musurface.h
index 2ca19e3a2..fa6816836 100644
--- a/include/openmc/tallies/filter_musurface.h
+++ b/include/openmc/tallies/filter_musurface.h
@@ -1,8 +1,6 @@
 #ifndef OPENMC_TALLIES_FILTER_MU_SURFACE_H
 #define OPENMC_TALLIES_FILTER_MU_SURFACE_H
 
-#include <gsl/gsl-lite.hpp>
-
 #include "openmc/tallies/filter_mu.h"
 #include "openmc/vector.h"
 
diff --git a/include/openmc/tallies/filter_particle.h b/include/openmc/tallies/filter_particle.h
index a181d5cee..863a6d282 100644
--- a/include/openmc/tallies/filter_particle.h
+++ b/include/openmc/tallies/filter_particle.h
@@ -2,6 +2,7 @@
 #define OPENMC_TALLIES_FILTER_PARTICLE_H
 
 #include "openmc/particle.h"
+#include "openmc/span.h"
 #include "openmc/tallies/filter.h"
 #include "openmc/vector.h"
 
@@ -38,7 +39,7 @@ public:
 
   const vector<ParticleType>& particles() const { return particles_; }
 
-  void set_particles(gsl::span<ParticleType> particles);
+  void set_particles(span<ParticleType> particles);
 
 private:
   //----------------------------------------------------------------------------
diff --git a/include/openmc/tallies/filter_polar.h b/include/openmc/tallies/filter_polar.h
index 78bb25aa4..c7c73c89f 100644
--- a/include/openmc/tallies/filter_polar.h
+++ b/include/openmc/tallies/filter_polar.h
@@ -3,8 +3,7 @@
 
 #include <cmath>
 
-#include <gsl/gsl-lite.hpp>
-
+#include "openmc/span.h"
 #include "openmc/tallies/filter.h"
 #include "openmc/vector.h"
 
@@ -39,7 +38,7 @@ public:
   //----------------------------------------------------------------------------
   // Accessors
 
-  void set_bins(gsl::span<double> bins);
+  void set_bins(span<double> bins);
 
 private:
   //----------------------------------------------------------------------------
diff --git a/include/openmc/tallies/filter_sph_harm.h b/include/openmc/tallies/filter_sph_harm.h
index 5d4a4bd99..a6904c301 100644
--- a/include/openmc/tallies/filter_sph_harm.h
+++ b/include/openmc/tallies/filter_sph_harm.h
@@ -3,8 +3,6 @@
 
 #include <string>
 
-#include <gsl/gsl-lite.hpp>
-
 #include "openmc/tallies/filter.h"
 
 namespace openmc {
@@ -46,7 +44,7 @@ public:
 
   SphericalHarmonicsCosine cosine() const { return cosine_; }
 
-  void set_cosine(gsl::cstring_span cosine);
+  void set_cosine(const std::string& cosine);
 
 private:
   //----------------------------------------------------------------------------
diff --git a/include/openmc/tallies/filter_surface.h b/include/openmc/tallies/filter_surface.h
index 3537f1cc7..e78243f5f 100644
--- a/include/openmc/tallies/filter_surface.h
+++ b/include/openmc/tallies/filter_surface.h
@@ -4,8 +4,7 @@
 #include <cstdint>
 #include <unordered_map>
 
-#include <gsl/gsl-lite.hpp>
-
+#include "openmc/span.h"
 #include "openmc/tallies/filter.h"
 #include "openmc/vector.h"
 
@@ -40,7 +39,7 @@ public:
   //----------------------------------------------------------------------------
   // Accessors
 
-  void set_surfaces(gsl::span<int32_t> surfaces);
+  void set_surfaces(span<int32_t> surfaces);
 
 private:
   //----------------------------------------------------------------------------
diff --git a/include/openmc/tallies/filter_time.h b/include/openmc/tallies/filter_time.h
index 105ef9880..3ce557abd 100644
--- a/include/openmc/tallies/filter_time.h
+++ b/include/openmc/tallies/filter_time.h
@@ -1,8 +1,7 @@
 #ifndef OPENMC_TALLIES_FILTER_TIME_H
 #define OPENMC_TALLIES_FILTER_TIME_H
 
-#include <gsl/gsl-lite.hpp>
-
+#include "openmc/span.h"
 #include "openmc/tallies/filter.h"
 #include "openmc/vector.h"
 
@@ -38,7 +37,7 @@ public:
   // Accessors
 
   const vector<double>& bins() const { return bins_; }
-  void set_bins(gsl::span<const double> bins);
+  void set_bins(span<const double> bins);
 
 protected:
   //----------------------------------------------------------------------------
diff --git a/include/openmc/tallies/filter_universe.h b/include/openmc/tallies/filter_universe.h
index d4894353b..461434ec4 100644
--- a/include/openmc/tallies/filter_universe.h
+++ b/include/openmc/tallies/filter_universe.h
@@ -4,8 +4,7 @@
 #include <cstdint>
 #include <unordered_map>
 
-#include <gsl/gsl-lite.hpp>
-
+#include "openmc/span.h"
 #include "openmc/tallies/filter.h"
 #include "openmc/vector.h"
 
@@ -40,7 +39,7 @@ public:
   //----------------------------------------------------------------------------
   // Accessors
 
-  void set_universes(gsl::span<int32_t> universes);
+  void set_universes(span<int32_t> universes);
 
 private:
   //----------------------------------------------------------------------------
diff --git a/include/openmc/tallies/tally.h b/include/openmc/tallies/tally.h
index 2f0cddcf0..48f678ced 100644
--- a/include/openmc/tallies/tally.h
+++ b/include/openmc/tallies/tally.h
@@ -3,6 +3,7 @@
 
 #include "openmc/constants.h"
 #include "openmc/memory.h" // for unique_ptr
+#include "openmc/span.h"
 #include "openmc/tallies/filter.h"
 #include "openmc/tallies/trigger.h"
 #include "openmc/vector.h"
@@ -10,7 +11,6 @@
 #include "pugixml.hpp"
 #include "xtensor/xfixed.hpp"
 #include "xtensor/xtensor.hpp"
-#include <gsl/gsl-lite.hpp>
 
 #include <string>
 #include <unordered_map>
@@ -93,7 +93,7 @@ public:
   //! \brief Check if this tally has a specified type of filter
   bool has_filter(FilterType filter_type) const;
 
-  void set_filters(gsl::span<Filter*> filters);
+  void set_filters(span<Filter*> filters);
 
   //! Given already-set filters, set the stride lengths
   void set_strides();
@@ -192,7 +192,7 @@ private:
   //! Whether to multiply by atom density for reaction rates
   bool multiply_density_ {true};
 
-  gsl::index index_;
+  int64_t index_;
 };
 
 //==============================================================================
diff --git a/include/openmc/volume_calc.h b/include/openmc/volume_calc.h
index 376b8c707..fa8d3d65e 100644
--- a/include/openmc/volume_calc.h
+++ b/include/openmc/volume_calc.h
@@ -14,7 +14,6 @@
 
 #include "pugixml.hpp"
 #include "xtensor/xtensor.hpp"
-#include <gsl/gsl-lite.hpp>
 #ifdef _OPENMP
 #include <omp.h>
 #endif
diff --git a/include/openmc/weight_windows.h b/include/openmc/weight_windows.h
index 2d4d55694..6f2ef0707 100644
--- a/include/openmc/weight_windows.h
+++ b/include/openmc/weight_windows.h
@@ -4,7 +4,6 @@
 #include <cstdint>
 #include <unordered_map>
 
-#include <gsl/gsl-lite.hpp>
 #include <hdf5.h>
 #include <pugixml.hpp>
 
@@ -12,6 +11,7 @@
 #include "openmc/memory.h"
 #include "openmc/mesh.h"
 #include "openmc/particle.h"
+#include "openmc/span.h"
 #include "openmc/tallies/tally.h"
 #include "openmc/vector.h"
 
@@ -104,7 +104,7 @@ public:
   //! Set the weight window ID
   void set_id(int32_t id = -1);
 
-  void set_energy_bounds(gsl::span<const double> bounds);
+  void set_energy_bounds(span<const double> bounds);
 
   void set_mesh(const std::unique_ptr<Mesh>& mesh);
 
@@ -148,9 +148,9 @@ public:
   void set_bounds(const xt::xtensor<double, 2>& lower_bounds, double ratio);
 
   void set_bounds(
-    gsl::span<const double> lower_bounds, gsl::span<const double> upper_bounds);
+    span<const double> lower_bounds, span<const double> upper_bounds);
 
-  void set_bounds(gsl::span<const double> lower_bounds, double ratio);
+  void set_bounds(span<const double> lower_bounds, double ratio);
 
   void set_particle_type(ParticleType p_type);
 
@@ -192,8 +192,8 @@ public:
 private:
   //----------------------------------------------------------------------------
   // Data members
-  int32_t id_;       //!< Unique ID
-  gsl::index index_; //!< Index into weight windows vector
+  int32_t id_;    //!< Unique ID
+  int64_t index_; //!< Index into weight windows vector
   ParticleType particle_type_ {
     ParticleType::neutron};      //!< Particle type to apply weight windows to
   vector<double> energy_bounds_; //!< Energy boundaries [eV]
diff --git a/src/cell.cpp b/src/cell.cpp
index fa8be4496..4b2699229 100644
--- a/src/cell.cpp
+++ b/src/cell.cpp
@@ -2,6 +2,7 @@
 #include "openmc/cell.h"
 
 #include <algorithm>
+#include <cassert>
 #include <cctype>
 #include <cmath>
 #include <iterator>
@@ -10,7 +11,6 @@
 #include <string>
 
 #include <fmt/core.h>
-#include <gsl/gsl-lite.hpp>
 
 #include "openmc/capi.h"
 #include "openmc/constants.h"
@@ -137,7 +137,7 @@ void Cell::set_temperature(double T, int32_t instance, bool set_contained)
     auto contained_cells = this->get_contained_cells(instance);
     for (const auto& entry : contained_cells) {
       auto& cell = model::cells[entry.first];
-      Expects(cell->type_ == Fill::MATERIAL);
+      assert(cell->type_ == Fill::MATERIAL);
       auto& instances = entry.second;
       for (auto instance : instances) {
         cell->set_temperature(T, instance);
@@ -179,7 +179,7 @@ void Cell::import_properties_hdf5(hid_t group)
   // Modify temperatures for the cell
   sqrtkT_.clear();
   sqrtkT_.resize(temps.size());
-  for (gsl::index i = 0; i < temps.size(); ++i) {
+  for (int64_t i = 0; i < temps.size(); ++i) {
     this->set_temperature(temps[i], i);
   }
 
@@ -570,7 +570,7 @@ void Region::apply_demorgan(
 //! precedence than unions using parentheses.
 //==============================================================================
 
-gsl::index Region::add_parentheses(gsl::index start)
+int64_t Region::add_parentheses(int64_t start)
 {
   int32_t start_token = expression_[start];
   // Add left parenthesis and set new position to be after parenthesis
@@ -642,7 +642,7 @@ void Region::add_precedence()
   int32_t current_op = 0;
   std::size_t current_dist = 0;
 
-  for (gsl::index i = 0; i < expression_.size(); i++) {
+  for (int64_t i = 0; i < expression_.size(); i++) {
     int32_t token = expression_[i];
 
     if (token == OP_UNION || token == OP_INTERSECTION) {
@@ -938,7 +938,7 @@ BoundingBox Region::bounding_box_complex(vector<int32_t> postfix) const
     }
   }
 
-  Ensures(i_stack == 0);
+  assert(i_stack == 0);
   return stack.front();
 }
 
@@ -1210,8 +1210,8 @@ struct ParentCell {
              lattice_index < other.lattice_index);
   }
 
-  gsl::index cell_index;
-  gsl::index lattice_index;
+  int64_t cell_index;
+  int64_t lattice_index;
 };
 
 //! Structure used to insert ParentCell into hashed STL data structures
diff --git a/src/dagmc.cpp b/src/dagmc.cpp
index ea5be04ba..134360886 100644
--- a/src/dagmc.cpp
+++ b/src/dagmc.cpp
@@ -1,5 +1,7 @@
 #include "openmc/dagmc.h"
 
+#include <cassert>
+
 #include "openmc/constants.h"
 #include "openmc/container_util.h"
 #include "openmc/error.h"
@@ -800,7 +802,7 @@ Direction DAGSurface::normal(Position r) const
 
 Direction DAGSurface::reflect(Position r, Direction u, GeometryState* p) const
 {
-  Expects(p);
+  assert(p);
   double pnt[3] = {r.x, r.y, r.z};
   double dir[3];
   moab::ErrorCode rval =
diff --git a/src/distribution.cpp b/src/distribution.cpp
index 8c700460f..ca00cbde4 100644
--- a/src/distribution.cpp
+++ b/src/distribution.cpp
@@ -8,8 +8,6 @@
 #include <stdexcept> // for runtime_error
 #include <string>    // for string, stod
 
-#include <gsl/gsl-lite.hpp>
-
 #include "openmc/error.h"
 #include "openmc/math_functions.h"
 #include "openmc/random_dist.h"
@@ -30,12 +28,12 @@ DiscreteIndex::DiscreteIndex(pugi::xml_node node)
   assign({params.data() + n, n});
 }
 
-DiscreteIndex::DiscreteIndex(gsl::span<const double> p)
+DiscreteIndex::DiscreteIndex(span<const double> p)
 {
   assign(p);
 }
 
-void DiscreteIndex::assign(gsl::span<const double> p)
+void DiscreteIndex::assign(span<const double> p)
 {
   prob_.assign(p.begin(), p.end());
 
@@ -417,7 +415,7 @@ double Mixture::sample(uint64_t* seed) const
     p, [](const DistPair& pair, double p) { return pair.first < p; });
 
   // This should not happen. Catch it
-  Ensures(it != distribution_.cend());
+  assert(it != distribution_.cend());
 
   // Sample the chosen distribution
   return it->second->sample(seed);
diff --git a/src/distribution_spatial.cpp b/src/distribution_spatial.cpp
index 5c193a95d..d2b0f413b 100644
--- a/src/distribution_spatial.cpp
+++ b/src/distribution_spatial.cpp
@@ -262,7 +262,7 @@ MeshSpatial::MeshSpatial(pugi::xml_node node)
   elem_idx_dist_.assign(strengths);
 }
 
-MeshSpatial::MeshSpatial(int32_t mesh_idx, gsl::span<const double> strengths)
+MeshSpatial::MeshSpatial(int32_t mesh_idx, span<const double> strengths)
   : mesh_idx_(mesh_idx)
 {
   check_element_types();
@@ -331,7 +331,7 @@ PointCloud::PointCloud(pugi::xml_node node)
 }
 
 PointCloud::PointCloud(
-  std::vector<Position> point_cloud, gsl::span<const double> strengths)
+  std::vector<Position> point_cloud, span<const double> strengths)
 {
   point_cloud_.assign(point_cloud.begin(), point_cloud.end());
   point_idx_dist_.assign(strengths);
diff --git a/src/geometry_aux.cpp b/src/geometry_aux.cpp
index 050d4db96..2f8a55743 100644
--- a/src/geometry_aux.cpp
+++ b/src/geometry_aux.cpp
@@ -344,7 +344,7 @@ void prepare_distribcell(const std::vector<int32_t>* user_distribcells)
 
   // By default, add material cells to the list of distributed cells
   if (settings::material_cell_offsets) {
-    for (gsl::index i = 0; i < model::cells.size(); ++i) {
+    for (int64_t i = 0; i < model::cells.size(); ++i) {
       if (model::cells[i]->type_ == Fill::MATERIAL)
         distribcells.insert(i);
     }
diff --git a/src/material.cpp b/src/material.cpp
index aad7008e7..3ba9ab96c 100644
--- a/src/material.cpp
+++ b/src/material.cpp
@@ -1,6 +1,7 @@
 #include "openmc/material.h"
 
 #include <algorithm> // for min, max, sort, fill
+#include <cassert>
 #include <cmath>
 #include <iterator>
 #include <sstream>
@@ -933,7 +934,7 @@ void Material::calculate_photon_xs(Particle& p) const
 
 void Material::set_id(int32_t id)
 {
-  Expects(id >= 0 || id == C_NONE);
+  assert(id >= 0 || id == C_NONE);
 
   // Clear entry in material map if an ID was already assigned before
   if (id_ != C_NONE) {
@@ -961,9 +962,9 @@ void Material::set_id(int32_t id)
   model::material_map[id] = index_;
 }
 
-void Material::set_density(double density, gsl::cstring_span units)
+void Material::set_density(double density, const std::string& units)
 {
-  Expects(density >= 0.0);
+  assert(density >= 0.0);
 
   if (nuclide_.empty()) {
     throw std::runtime_error {"No nuclides exist in material yet."};
@@ -1006,8 +1007,8 @@ void Material::set_densities(
   const vector<std::string>& name, const vector<double>& density)
 {
   auto n = name.size();
-  Expects(n > 0);
-  Expects(n == density.size());
+  assert(n > 0);
+  assert(n == density.size());
 
   if (n != nuclide_.size()) {
     nuclide_.resize(n);
@@ -1017,7 +1018,7 @@ void Material::set_densities(
   }
 
   double sum_density = 0.0;
-  for (gsl::index i = 0; i < n; ++i) {
+  for (int64_t i = 0; i < n; ++i) {
     const auto& nuc {name[i]};
     if (data::nuclide_map.find(nuc) == data::nuclide_map.end()) {
       int err = openmc_load_nuclide(nuc.c_str(), nullptr, 0);
@@ -1026,7 +1027,7 @@ void Material::set_densities(
     }
 
     nuclide_[i] = data::nuclide_map.at(nuc);
-    Expects(density[i] > 0.0);
+    assert(density[i] > 0.0);
     atom_density_(i) = density[i];
     sum_density += density[i];
 
diff --git a/src/mcpl_interface.cpp b/src/mcpl_interface.cpp
index 5c3df026c..a8de5fdb0 100644
--- a/src/mcpl_interface.cpp
+++ b/src/mcpl_interface.cpp
@@ -112,7 +112,7 @@ vector<SourceSite> mcpl_source_sites(std::string path)
 
 #ifdef OPENMC_MCPL
 void write_mcpl_source_bank(mcpl_outfile_t file_id,
-  gsl::span<SourceSite> source_bank, const vector<int64_t>& bank_index)
+  span<SourceSite> source_bank, const vector<int64_t>& bank_index)
 {
   int64_t dims_size = settings::n_particles;
   int64_t count_size = simulation::work_per_rank;
@@ -188,8 +188,8 @@ void write_mcpl_source_bank(mcpl_outfile_t file_id,
 
 //==============================================================================
 
-void write_mcpl_source_point(const char* filename,
-  gsl::span<SourceSite> source_bank, const vector<int64_t>& bank_index)
+void write_mcpl_source_point(const char* filename, span<SourceSite> source_bank,
+  const vector<int64_t>& bank_index)
 {
   std::string filename_(filename);
   const auto extension = get_file_extension(filename_);
diff --git a/src/mesh.cpp b/src/mesh.cpp
index 97bf710ca..3e1f25c4b 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -1,9 +1,9 @@
 #include "openmc/mesh.h"
-#include <algorithm>      // for copy, equal, min, min_element
+#include <algorithm> // for copy, equal, min, min_element
+#include <cassert>
 #define _USE_MATH_DEFINES // to make M_PI declared in Intel and MSVC compilers
 #include <cmath>          // for ceil
 #include <cstddef>        // for size_t
-#include <gsl/gsl-lite.hpp>
 #include <string>
 
 #ifdef OPENMC_MPI
@@ -116,7 +116,7 @@ Mesh::Mesh(pugi::xml_node node)
 
 void Mesh::set_id(int32_t id)
 {
-  Expects(id >= 0 || id == C_NONE);
+  assert(id >= 0 || id == C_NONE);
 
   // Clear entry in mesh map in case one was already assigned
   if (id_ != C_NONE) {
@@ -154,7 +154,7 @@ vector<double> Mesh::volumes() const
 }
 
 int Mesh::material_volumes(
-  int n_sample, int bin, gsl::span<MaterialVolume> result, uint64_t* seed) const
+  int n_sample, int bin, span<MaterialVolume> result, uint64_t* seed) const
 {
   vector<int32_t> materials;
   vector<int64_t> hits;
@@ -3184,13 +3184,13 @@ void LibMesh::set_score_data(const std::string& var_name,
     // set value
     vector<libMesh::dof_id_type> value_dof_indices;
     dof_map.dof_indices(*it, value_dof_indices, value_num);
-    Ensures(value_dof_indices.size() == 1);
+    assert(value_dof_indices.size() == 1);
     eqn_sys.solution->set(value_dof_indices[0], values.at(bin));
 
     // set std dev
     vector<libMesh::dof_id_type> std_dev_dof_indices;
     dof_map.dof_indices(*it, std_dev_dof_indices, std_dev_num);
-    Ensures(std_dev_dof_indices.size() == 1);
+    assert(std_dev_dof_indices.size() == 1);
     eqn_sys.solution->set(std_dev_dof_indices[0], std_dev.at(bin));
   }
 }
diff --git a/src/nuclide.cpp b/src/nuclide.cpp
index f720f848b..d78b7a010 100644
--- a/src/nuclide.cpp
+++ b/src/nuclide.cpp
@@ -21,7 +21,8 @@
 #include "xtensor/xview.hpp"
 
 #include <algorithm> // for sort, min_element
-#include <string>    // for to_string, stoi
+#include <cassert>
+#include <string> // for to_string, stoi
 
 namespace openmc {
 
@@ -999,19 +1000,19 @@ void Nuclide::calculate_urr_xs(int i_temp, Particle& p) const
   }
 }
 
-std::pair<gsl::index, double> Nuclide::find_temperature(double T) const
+std::pair<int64_t, double> Nuclide::find_temperature(double T) const
 {
-  Expects(T >= 0.0);
+  assert(T >= 0.0);
 
   // Determine temperature index
-  gsl::index i_temp = 0;
+  int64_t i_temp = 0;
   double f = 0.0;
   double kT = K_BOLTZMANN * T;
-  gsl::index n = kTs_.size();
+  int64_t n = kTs_.size();
   switch (settings::temperature_method) {
   case TemperatureMethod::NEAREST: {
     double max_diff = INFTY;
-    for (gsl::index t = 0; t < n; ++t) {
+    for (int64_t t = 0; t < n; ++t) {
       double diff = std::abs(kTs_[t] - kT);
       if (diff < max_diff) {
         i_temp = t;
@@ -1038,17 +1039,17 @@ std::pair<gsl::index, double> Nuclide::find_temperature(double T) const
     f = (kT - kTs_[i_temp]) / (kTs_[i_temp + 1] - kTs_[i_temp]);
   }
 
-  Ensures(i_temp >= 0 && i_temp < n);
+  assert(i_temp >= 0 && i_temp < n);
 
   return {i_temp, f};
 }
 
 double Nuclide::collapse_rate(int MT, double temperature,
-  gsl::span<const double> energy, gsl::span<const double> flux) const
+  span<const double> energy, span<const double> flux) const
 {
-  Expects(MT > 0);
-  Expects(energy.size() > 0);
-  Expects(energy.size() == flux.size() + 1);
+  assert(MT > 0);
+  assert(energy.size() > 0);
+  assert(energy.size() == flux.size() + 1);
 
   int i_rx = reaction_index_[MT];
   if (i_rx < 0)
@@ -1056,7 +1057,7 @@ double Nuclide::collapse_rate(int MT, double temperature,
   const auto& rx = reactions_[i_rx];
 
   // Determine temperature index
-  gsl::index i_temp;
+  int64_t i_temp;
   double f;
   std::tie(i_temp, f) = this->find_temperature(temperature);
 
diff --git a/src/reaction.cpp b/src/reaction.cpp
index 3bdc83746..60a14b2b3 100644
--- a/src/reaction.cpp
+++ b/src/reaction.cpp
@@ -65,8 +65,7 @@ Reaction::Reaction(hid_t group, const vector<int>& temperatures)
   }
 }
 
-double Reaction::xs(
-  gsl::index i_temp, gsl::index i_grid, double interp_factor) const
+double Reaction::xs(int64_t i_temp, int64_t i_grid, double interp_factor) const
 {
   // If energy is below threshold, return 0. Otherwise interpolate between
   // nearest grid points
@@ -82,9 +81,8 @@ double Reaction::xs(const NuclideMicroXS& micro) const
   return this->xs(micro.index_temp, micro.index_grid, micro.interp_factor);
 }
 
-double Reaction::collapse_rate(gsl::index i_temp,
-  gsl::span<const double> energy, gsl::span<const double> flux,
-  const vector<double>& grid) const
+double Reaction::collapse_rate(int64_t i_temp, span<const double> energy,
+  span<const double> flux, const vector<double>& grid) const
 {
   // Find index corresponding to first energy
   const auto& xs = xs_[i_temp].value;
diff --git a/src/secondary_thermal.cpp b/src/secondary_thermal.cpp
index 0b8e1ab42..8b9e8737c 100644
--- a/src/secondary_thermal.cpp
+++ b/src/secondary_thermal.cpp
@@ -4,10 +4,9 @@
 #include "openmc/random_lcg.h"
 #include "openmc/search.h"
 
-#include <gsl/gsl-lite.hpp>
-
 #include "xtensor/xview.hpp"
 
+#include <cassert>
 #include <cmath> // for log, exp
 
 namespace openmc {
@@ -40,7 +39,7 @@ void CoherentElasticAE::sample(
 
   const auto& energies {xs_.bragg_edges()};
 
-  Expects(E_in >= energies.front());
+  assert(E_in >= energies.front());
 
   const int i = lower_bound_index(energies.begin(), energies.end(), E_in);
 
diff --git a/src/simulation.cpp b/src/simulation.cpp
index 030e447f1..a3c6495ae 100644
--- a/src/simulation.cpp
+++ b/src/simulation.cpp
@@ -439,7 +439,7 @@ void finalize_batch()
       int w = std::to_string(settings::n_max_batches).size();
       std::string source_point_filename = fmt::format("{0}source.{1:0{2}}",
         settings::path_output, simulation::current_batch, w);
-      gsl::span<SourceSite> bankspan(simulation::source_bank);
+      span<SourceSite> bankspan(simulation::source_bank);
       write_source_point(source_point_filename, bankspan,
         simulation::work_index, settings::source_mcpl_write);
     }
@@ -447,7 +447,7 @@ void finalize_batch()
     // Write a continously-overwritten source point if requested.
     if (settings::source_latest) {
       auto filename = settings::path_output + "source";
-      gsl::span<SourceSite> bankspan(simulation::source_bank);
+      span<SourceSite> bankspan(simulation::source_bank);
       write_source_point(filename, bankspan, simulation::work_index,
         settings::source_mcpl_write);
     }
@@ -469,7 +469,7 @@ void finalize_batch()
       // Get span of source bank and calculate parallel index vector
       auto surf_work_index = mpi::calculate_parallel_index_vector(
         simulation::surf_source_bank.size());
-      gsl::span<SourceSite> surfbankspan(simulation::surf_source_bank.begin(),
+      span<SourceSite> surfbankspan(simulation::surf_source_bank.begin(),
         simulation::surf_source_bank.size());
 
       // Write surface source file
diff --git a/src/state_point.cpp b/src/state_point.cpp
index fcc389df1..ed8c6ed41 100644
--- a/src/state_point.cpp
+++ b/src/state_point.cpp
@@ -567,7 +567,7 @@ hid_t h5banktype()
   return banktype;
 }
 
-void write_source_point(std::string filename, gsl::span<SourceSite> source_bank,
+void write_source_point(std::string filename, span<SourceSite> source_bank,
   const vector<int64_t>& bank_index, bool use_mcpl)
 {
   std::string ext = use_mcpl ? "mcpl" : "h5";
@@ -584,8 +584,8 @@ void write_source_point(std::string filename, gsl::span<SourceSite> source_bank,
   }
 }
 
-void write_h5_source_point(const char* filename,
-  gsl::span<SourceSite> source_bank, const vector<int64_t>& bank_index)
+void write_h5_source_point(const char* filename, span<SourceSite> source_bank,
+  const vector<int64_t>& bank_index)
 {
   // When using parallel HDF5, the file is written to collectively by all
   // processes. With MPI-only, the file is opened and written by the master
@@ -620,7 +620,7 @@ void write_h5_source_point(const char* filename,
     file_close(file_id);
 }
 
-void write_source_bank(hid_t group_id, gsl::span<SourceSite> source_bank,
+void write_source_bank(hid_t group_id, span<SourceSite> source_bank,
   const vector<int64_t>& bank_index)
 {
   hid_t banktype = h5banktype();
diff --git a/src/surface.cpp b/src/surface.cpp
index 3658b3fa1..0002275c3 100644
--- a/src/surface.cpp
+++ b/src/surface.cpp
@@ -7,7 +7,6 @@
 #include <utility>
 
 #include <fmt/core.h>
-#include <gsl/gsl-lite.hpp>
 
 #include "openmc/array.h"
 #include "openmc/container_util.h"
diff --git a/src/tallies/filter.cpp b/src/tallies/filter.cpp
index 074212db4..0ce1ee20b 100644
--- a/src/tallies/filter.cpp
+++ b/src/tallies/filter.cpp
@@ -1,7 +1,8 @@
 #include "openmc/tallies/filter.h"
 
 #include <algorithm> // for max
-#include <cstring>   // for strcpy
+#include <cassert>
+#include <cstring> // for strcpy
 #include <string>
 
 #include <fmt/core.h>
@@ -162,7 +163,7 @@ Filter* Filter::create(const std::string& type, int32_t id)
 
 void Filter::set_id(int32_t id)
 {
-  Expects(id >= 0 || id == C_NONE);
+  assert(id >= 0 || id == C_NONE);
 
   // Clear entry in filter map if an ID was already assigned before
   if (id_ != C_NONE) {
diff --git a/src/tallies/filter_azimuthal.cpp b/src/tallies/filter_azimuthal.cpp
index e77aa8bdc..6525f326d 100644
--- a/src/tallies/filter_azimuthal.cpp
+++ b/src/tallies/filter_azimuthal.cpp
@@ -34,14 +34,14 @@ void AzimuthalFilter::from_xml(pugi::xml_node node)
   this->set_bins(bins);
 }
 
-void AzimuthalFilter::set_bins(gsl::span<double> bins)
+void AzimuthalFilter::set_bins(span<double> bins)
 {
   // Clear existing bins
   bins_.clear();
   bins_.reserve(bins.size());
 
   // Copy bins, ensuring they are valid
-  for (gsl::index i = 0; i < bins.size(); ++i) {
+  for (int64_t i = 0; i < bins.size(); ++i) {
     if (i > 0 && bins[i] <= bins[i - 1]) {
       throw std::runtime_error {
         "Azimuthal bins must be monotonically increasing."};
diff --git a/src/tallies/filter_cell.cpp b/src/tallies/filter_cell.cpp
index 794d2ae08..b545801ea 100644
--- a/src/tallies/filter_cell.cpp
+++ b/src/tallies/filter_cell.cpp
@@ -1,5 +1,7 @@
 #include "openmc/tallies/filter_cell.h"
 
+#include <cassert>
+
 #include <fmt/core.h>
 
 #include "openmc/capi.h"
@@ -25,7 +27,7 @@ void CellFilter::from_xml(pugi::xml_node node)
   this->set_cells(cells);
 }
 
-void CellFilter::set_cells(gsl::span<int32_t> cells)
+void CellFilter::set_cells(span<int32_t> cells)
 {
   // Clear existing cells
   cells_.clear();
@@ -34,8 +36,8 @@ void CellFilter::set_cells(gsl::span<int32_t> cells)
 
   // Update cells and mapping
   for (auto& index : cells) {
-    Expects(index >= 0);
-    Expects(index < model::cells.size());
+    assert(index >= 0);
+    assert(index < model::cells.size());
     cells_.push_back(index);
     map_[index] = cells_.size() - 1;
   }
diff --git a/src/tallies/filter_cell_instance.cpp b/src/tallies/filter_cell_instance.cpp
index 3e78a5bbe..0634175dd 100644
--- a/src/tallies/filter_cell_instance.cpp
+++ b/src/tallies/filter_cell_instance.cpp
@@ -1,5 +1,6 @@
 #include "openmc/tallies/filter_cell_instance.h"
 
+#include <cassert>
 #include <string>
 
 #include <fmt/core.h>
@@ -12,7 +13,7 @@
 
 namespace openmc {
 
-CellInstanceFilter::CellInstanceFilter(gsl::span<CellInstance> instances)
+CellInstanceFilter::CellInstanceFilter(span<CellInstance> instances)
 {
   this->set_cell_instances(instances);
 }
@@ -21,26 +22,26 @@ void CellInstanceFilter::from_xml(pugi::xml_node node)
 {
   // Get cell IDs/instances
   auto cells = get_node_array<int32_t>(node, "bins");
-  Expects(cells.size() % 2 == 0);
+  assert(cells.size() % 2 == 0);
 
   // Convert into vector of CellInstance
   vector<CellInstance> instances;
-  for (gsl::index i = 0; i < cells.size() / 2; ++i) {
+  for (int64_t i = 0; i < cells.size() / 2; ++i) {
     int32_t cell_id = cells[2 * i];
-    gsl::index instance = cells[2 * i + 1];
+    int64_t instance = cells[2 * i + 1];
     auto search = model::cell_map.find(cell_id);
     if (search == model::cell_map.end()) {
       throw std::runtime_error {fmt::format(
         "Could not find cell {} specified on tally filter.", cell_id)};
     }
-    gsl::index index = search->second;
+    int64_t index = search->second;
     instances.push_back({index, instance});
   }
 
   this->set_cell_instances(instances);
 }
 
-void CellInstanceFilter::set_cell_instances(gsl::span<CellInstance> instances)
+void CellInstanceFilter::set_cell_instances(span<CellInstance> instances)
 {
   // Clear existing cells
   cell_instances_.clear();
@@ -50,8 +51,8 @@ void CellInstanceFilter::set_cell_instances(gsl::span<CellInstance> instances)
 
   // Update cells and mapping
   for (auto& x : instances) {
-    Expects(x.index_cell >= 0);
-    Expects(x.index_cell < model::cells.size());
+    assert(x.index_cell >= 0);
+    assert(x.index_cell < model::cells.size());
     cell_instances_.push_back(x);
     cells_.insert(x.index_cell);
     map_[x] = cell_instances_.size() - 1;
@@ -72,8 +73,8 @@ void CellInstanceFilter::set_cell_instances(gsl::span<CellInstance> instances)
 void CellInstanceFilter::get_all_bins(
   const Particle& p, TallyEstimator estimator, FilterMatch& match) const
 {
-  gsl::index index_cell = p.lowest_coord().cell;
-  gsl::index instance = p.cell_instance();
+  int64_t index_cell = p.lowest_coord().cell;
+  int64_t instance = p.cell_instance();
 
   if (cells_.count(index_cell) > 0) {
     auto search = map_.find({index_cell, instance});
@@ -88,13 +89,13 @@ void CellInstanceFilter::get_all_bins(
     return;
 
   for (int i = 0; i < p.n_coord() - 1; i++) {
-    gsl::index index_cell = p.coord(i).cell;
+    int64_t index_cell = p.coord(i).cell;
     // if this cell isn't used on the filter, move on
     if (cells_.count(index_cell) == 0)
       continue;
 
     // if this cell is used in the filter, check the instance as well
-    gsl::index instance = cell_instance_at_level(p, i);
+    int64_t instance = cell_instance_at_level(p, i);
     auto search = map_.find({index_cell, instance});
     if (search != map_.end()) {
       match.bins_.push_back(search->second);
@@ -108,7 +109,7 @@ void CellInstanceFilter::to_statepoint(hid_t filter_group) const
   Filter::to_statepoint(filter_group);
   size_t n = cell_instances_.size();
   xt::xtensor<size_t, 2> data({n, 2});
-  for (gsl::index i = 0; i < n; ++i) {
+  for (int64_t i = 0; i < n; ++i) {
     const auto& x = cell_instances_[i];
     data(i, 0) = model::cells[x.index_cell]->id_;
     data(i, 1) = x.instance;
diff --git a/src/tallies/filter_collision.cpp b/src/tallies/filter_collision.cpp
index fbb186a23..c614c3c83 100644
--- a/src/tallies/filter_collision.cpp
+++ b/src/tallies/filter_collision.cpp
@@ -19,7 +19,7 @@ void CollisionFilter::from_xml(pugi::xml_node node)
   this->set_bins(bins);
 }
 
-void CollisionFilter::set_bins(gsl::span<const int> bins)
+void CollisionFilter::set_bins(span<const int> bins)
 {
   // Clear existing bins
   bins_.clear();
@@ -27,7 +27,7 @@ void CollisionFilter::set_bins(gsl::span<const int> bins)
   map_.clear();
 
   // Copy bins
-  for (gsl::index i = 0; i < bins.size(); ++i) {
+  for (int64_t i = 0; i < bins.size(); ++i) {
     bins_.push_back(bins[i]);
     map_[bins[i]] = i;
   }
diff --git a/src/tallies/filter_delayedgroup.cpp b/src/tallies/filter_delayedgroup.cpp
index c6ec21766..01e39e554 100644
--- a/src/tallies/filter_delayedgroup.cpp
+++ b/src/tallies/filter_delayedgroup.cpp
@@ -11,7 +11,7 @@ void DelayedGroupFilter::from_xml(pugi::xml_node node)
   this->set_groups(groups);
 }
 
-void DelayedGroupFilter::set_groups(gsl::span<int> groups)
+void DelayedGroupFilter::set_groups(span<int> groups)
 {
   // Clear existing groups
   groups_.clear();
diff --git a/src/tallies/filter_distribcell.cpp b/src/tallies/filter_distribcell.cpp
index c754dbd44..821e843da 100644
--- a/src/tallies/filter_distribcell.cpp
+++ b/src/tallies/filter_distribcell.cpp
@@ -1,5 +1,7 @@
 #include "openmc/tallies/filter_distribcell.h"
 
+#include <cassert>
+
 #include <fmt/core.h>
 
 #include "openmc/cell.h"
@@ -29,8 +31,8 @@ void DistribcellFilter::from_xml(pugi::xml_node node)
 
 void DistribcellFilter::set_cell(int32_t cell)
 {
-  Expects(cell >= 0);
-  Expects(cell < model::cells.size());
+  assert(cell >= 0);
+  assert(cell < model::cells.size());
   cell_ = cell;
   n_bins_ = model::cells[cell]->n_instances_;
 }
diff --git a/src/tallies/filter_energy.cpp b/src/tallies/filter_energy.cpp
index 4767dd175..0b954cce3 100644
--- a/src/tallies/filter_energy.cpp
+++ b/src/tallies/filter_energy.cpp
@@ -21,14 +21,14 @@ void EnergyFilter::from_xml(pugi::xml_node node)
   this->set_bins(bins);
 }
 
-void EnergyFilter::set_bins(gsl::span<const double> bins)
+void EnergyFilter::set_bins(span<const double> bins)
 {
   // Clear existing bins
   bins_.clear();
   bins_.reserve(bins.size());
 
   // Copy bins, ensuring they are valid
-  for (gsl::index i = 0; i < bins.size(); ++i) {
+  for (int64_t i = 0; i < bins.size(); ++i) {
     if (i > 0 && bins[i] <= bins[i - 1]) {
       throw std::runtime_error {
         "Energy bins must be monotonically increasing."};
@@ -46,7 +46,7 @@ void EnergyFilter::set_bins(gsl::span<const double> bins)
   if (!settings::run_CE) {
     if (n_bins_ == data::mg.num_energy_groups_) {
       matches_transport_groups_ = true;
-      for (gsl::index i = 0; i < n_bins_ + 1; ++i) {
+      for (int64_t i = 0; i < n_bins_ + 1; ++i) {
         if (data::mg.rev_energy_bins_[i] != bins_[i]) {
           matches_transport_groups_ = false;
           break;
diff --git a/src/tallies/filter_energyfunc.cpp b/src/tallies/filter_energyfunc.cpp
index 93ae24b2a..fc4ba0ff9 100644
--- a/src/tallies/filter_energyfunc.cpp
+++ b/src/tallies/filter_energyfunc.cpp
@@ -36,7 +36,7 @@ void EnergyFunctionFilter::from_xml(pugi::xml_node node)
 }
 
 void EnergyFunctionFilter::set_data(
-  gsl::span<const double> energy, gsl::span<const double> y)
+  span<const double> energy, span<const double> y)
 {
   // Check for consistent sizes with new data
   if (energy.size() != y.size()) {
@@ -48,7 +48,7 @@ void EnergyFunctionFilter::set_data(
   y_.reserve(y.size());
 
   // Copy over energy values, ensuring they are valid
-  for (gsl::index i = 0; i < energy.size(); ++i) {
+  for (int64_t i = 0; i < energy.size(); ++i) {
     if (i > 0 && energy[i] <= energy[i - 1]) {
       throw std::runtime_error {
         "Energy bins must be monotonically increasing."};
diff --git a/src/tallies/filter_material.cpp b/src/tallies/filter_material.cpp
index 6669ab2fa..215c9af72 100644
--- a/src/tallies/filter_material.cpp
+++ b/src/tallies/filter_material.cpp
@@ -1,5 +1,7 @@
 #include "openmc/tallies/filter_material.h"
 
+#include <cassert>
+
 #include <fmt/core.h>
 
 #include "openmc/capi.h"
@@ -24,7 +26,7 @@ void MaterialFilter::from_xml(pugi::xml_node node)
   this->set_materials(mats);
 }
 
-void MaterialFilter::set_materials(gsl::span<const int32_t> materials)
+void MaterialFilter::set_materials(span<const int32_t> materials)
 {
   // Clear existing materials
   materials_.clear();
@@ -33,8 +35,8 @@ void MaterialFilter::set_materials(gsl::span<const int32_t> materials)
 
   // Update materials and mapping
   for (auto& index : materials) {
-    Expects(index >= 0);
-    Expects(index < model::materials.size());
+    assert(index >= 0);
+    assert(index < model::materials.size());
     materials_.push_back(index);
     map_[index] = materials_.size() - 1;
   }
diff --git a/src/tallies/filter_mesh.cpp b/src/tallies/filter_mesh.cpp
index 03f7da978..4edfbec4b 100644
--- a/src/tallies/filter_mesh.cpp
+++ b/src/tallies/filter_mesh.cpp
@@ -1,7 +1,6 @@
 #include "openmc/tallies/filter_mesh.h"
 
 #include <fmt/core.h>
-#include <gsl/gsl-lite.hpp>
 
 #include "openmc/capi.h"
 #include "openmc/constants.h"
diff --git a/src/tallies/filter_mu.cpp b/src/tallies/filter_mu.cpp
index 95bb3b210..63915a533 100644
--- a/src/tallies/filter_mu.cpp
+++ b/src/tallies/filter_mu.cpp
@@ -31,14 +31,14 @@ void MuFilter::from_xml(pugi::xml_node node)
   this->set_bins(bins);
 }
 
-void MuFilter::set_bins(gsl::span<double> bins)
+void MuFilter::set_bins(span<double> bins)
 {
   // Clear existing bins
   bins_.clear();
   bins_.reserve(bins.size());
 
   // Copy bins, ensuring they are valid
-  for (gsl::index i = 0; i < bins.size(); ++i) {
+  for (int64_t i = 0; i < bins.size(); ++i) {
     if (i > 0 && bins[i] <= bins[i - 1]) {
       throw std::runtime_error {"Mu bins must be monotonically increasing."};
     }
diff --git a/src/tallies/filter_particle.cpp b/src/tallies/filter_particle.cpp
index 56d93a47f..eef1d1e63 100644
--- a/src/tallies/filter_particle.cpp
+++ b/src/tallies/filter_particle.cpp
@@ -18,7 +18,7 @@ void ParticleFilter::from_xml(pugi::xml_node node)
   this->set_particles(types);
 }
 
-void ParticleFilter::set_particles(gsl::span<ParticleType> particles)
+void ParticleFilter::set_particles(span<ParticleType> particles)
 {
   // Clear existing particles
   particles_.clear();
diff --git a/src/tallies/filter_polar.cpp b/src/tallies/filter_polar.cpp
index d132ccf42..29be6a437 100644
--- a/src/tallies/filter_polar.cpp
+++ b/src/tallies/filter_polar.cpp
@@ -32,14 +32,14 @@ void PolarFilter::from_xml(pugi::xml_node node)
   this->set_bins(bins);
 }
 
-void PolarFilter::set_bins(gsl::span<double> bins)
+void PolarFilter::set_bins(span<double> bins)
 {
   // Clear existing bins
   bins_.clear();
   bins_.reserve(bins.size());
 
   // Copy bins, ensuring they are valid
-  for (gsl::index i = 0; i < bins.size(); ++i) {
+  for (int64_t i = 0; i < bins.size(); ++i) {
     if (i > 0 && bins[i] <= bins[i - 1]) {
       throw std::runtime_error {"Polar bins must be monotonically increasing."};
     }
diff --git a/src/tallies/filter_sph_harm.cpp b/src/tallies/filter_sph_harm.cpp
index 359df379b..7441f32fb 100644
--- a/src/tallies/filter_sph_harm.cpp
+++ b/src/tallies/filter_sph_harm.cpp
@@ -1,9 +1,9 @@
 #include "openmc/tallies/filter_sph_harm.h"
 
+#include <cassert>
 #include <utility> // For pair
 
 #include <fmt/core.h>
-#include <gsl/gsl-lite.hpp>
 
 #include "openmc/capi.h"
 #include "openmc/error.h"
@@ -30,7 +30,7 @@ void SphericalHarmonicsFilter::set_order(int order)
   n_bins_ = (order_ + 1) * (order_ + 1);
 }
 
-void SphericalHarmonicsFilter::set_cosine(gsl::cstring_span cosine)
+void SphericalHarmonicsFilter::set_cosine(const std::string& cosine)
 {
   if (cosine == "scatter") {
     cosine_ = SphericalHarmonicsCosine::scatter;
@@ -39,7 +39,7 @@ void SphericalHarmonicsFilter::set_cosine(gsl::cstring_span cosine)
   } else {
     throw std::invalid_argument {fmt::format("Unrecognized cosine type, \"{}\" "
                                              "in spherical harmonics filter",
-      gsl::to_string(cosine))};
+      cosine)};
   }
 }
 
@@ -87,7 +87,7 @@ void SphericalHarmonicsFilter::to_statepoint(hid_t filter_group) const
 
 std::string SphericalHarmonicsFilter::text_label(int bin) const
 {
-  Expects(bin >= 0 && bin < n_bins_);
+  assert(bin >= 0 && bin < n_bins_);
   for (int n = 0; n < order_ + 1; n++) {
     if (bin < (n + 1) * (n + 1)) {
       int m = (bin - n * n) - n;
diff --git a/src/tallies/filter_surface.cpp b/src/tallies/filter_surface.cpp
index 1fbf8d44e..82f3d7178 100644
--- a/src/tallies/filter_surface.cpp
+++ b/src/tallies/filter_surface.cpp
@@ -1,5 +1,7 @@
 #include "openmc/tallies/filter_surface.h"
 
+#include <cassert>
+
 #include <fmt/core.h>
 
 #include "openmc/error.h"
@@ -26,7 +28,7 @@ void SurfaceFilter::from_xml(pugi::xml_node node)
   this->set_surfaces(surfaces);
 }
 
-void SurfaceFilter::set_surfaces(gsl::span<int32_t> surfaces)
+void SurfaceFilter::set_surfaces(span<int32_t> surfaces)
 {
   // Clear existing surfaces
   surfaces_.clear();
@@ -35,8 +37,8 @@ void SurfaceFilter::set_surfaces(gsl::span<int32_t> surfaces)
 
   // Update surfaces and mapping
   for (auto& index : surfaces) {
-    Expects(index >= 0);
-    Expects(index < model::surfaces.size());
+    assert(index >= 0);
+    assert(index < model::surfaces.size());
     surfaces_.push_back(index);
     map_[index] = surfaces_.size() - 1;
   }
diff --git a/src/tallies/filter_time.cpp b/src/tallies/filter_time.cpp
index 0378aa28d..948d1347a 100644
--- a/src/tallies/filter_time.cpp
+++ b/src/tallies/filter_time.cpp
@@ -21,7 +21,7 @@ void TimeFilter::from_xml(pugi::xml_node node)
   this->set_bins(bins);
 }
 
-void TimeFilter::set_bins(gsl::span<const double> bins)
+void TimeFilter::set_bins(span<const double> bins)
 {
   // Clear existing bins
   bins_.clear();
diff --git a/src/tallies/filter_universe.cpp b/src/tallies/filter_universe.cpp
index 96ad0212d..48114cfad 100644
--- a/src/tallies/filter_universe.cpp
+++ b/src/tallies/filter_universe.cpp
@@ -1,5 +1,7 @@
 #include "openmc/tallies/filter_universe.h"
 
+#include <cassert>
+
 #include <fmt/core.h>
 
 #include "openmc/cell.h"
@@ -24,7 +26,7 @@ void UniverseFilter::from_xml(pugi::xml_node node)
   this->set_universes(universes);
 }
 
-void UniverseFilter::set_universes(gsl::span<int32_t> universes)
+void UniverseFilter::set_universes(span<int32_t> universes)
 {
   // Clear existing universes
   universes_.clear();
@@ -33,8 +35,8 @@ void UniverseFilter::set_universes(gsl::span<int32_t> universes)
 
   // Update universes and mapping
   for (auto& index : universes) {
-    Expects(index >= 0);
-    Expects(index < model::universes.size());
+    assert(index >= 0);
+    assert(index < model::universes.size());
     universes_.push_back(index);
     map_[index] = universes_.size() - 1;
   }
diff --git a/src/tallies/filter_zernike.cpp b/src/tallies/filter_zernike.cpp
index eb4c8bdfd..af5b595aa 100644
--- a/src/tallies/filter_zernike.cpp
+++ b/src/tallies/filter_zernike.cpp
@@ -1,11 +1,11 @@
 #include "openmc/tallies/filter_zernike.h"
 
+#include <cassert>
 #include <cmath>
 #include <sstream>
 #include <utility> // For pair
 
 #include <fmt/core.h>
-#include <gsl/gsl-lite.hpp>
 
 #include "openmc/capi.h"
 #include "openmc/error.h"
@@ -57,7 +57,7 @@ void ZernikeFilter::to_statepoint(hid_t filter_group) const
 
 std::string ZernikeFilter::text_label(int bin) const
 {
-  Expects(bin >= 0 && bin < n_bins_);
+  assert(bin >= 0 && bin < n_bins_);
   for (int n = 0; n < order_ + 1; n++) {
     int last = (n + 1) * (n + 2) / 2;
     if (bin < last) {
diff --git a/src/tallies/tally.cpp b/src/tallies/tally.cpp
index 4f33abf6b..96d684f71 100644
--- a/src/tallies/tally.cpp
+++ b/src/tallies/tally.cpp
@@ -39,7 +39,8 @@
 #include <fmt/core.h>
 
 #include <algorithm> // for max
-#include <cstddef>   // for size_t
+#include <cassert>
+#include <cstddef> // for size_t
 #include <string>
 
 namespace openmc {
@@ -140,7 +141,7 @@ Tally::Tally(pugi::xml_node node)
   // Check for the presence of certain filter types
   bool has_energyout = energyout_filter_ >= 0;
   int particle_filter_index = C_NONE;
-  for (gsl::index j = 0; j < filters_.size(); ++j) {
+  for (int64_t j = 0; j < filters_.size(); ++j) {
     int i_filter = filters_[j];
     const auto& f = model::tally_filters[i_filter].get();
 
@@ -345,7 +346,7 @@ Tally* Tally::create(int32_t id)
 
 void Tally::set_id(int32_t id)
 {
-  Expects(id >= 0 || id == C_NONE);
+  assert(id >= 0 || id == C_NONE);
 
   // Clear entry in tally map if an ID was already assigned before
   if (id_ != C_NONE) {
@@ -401,7 +402,7 @@ bool Tally::has_filter(FilterType filter_type) const
   return false;
 }
 
-void Tally::set_filters(gsl::span<Filter*> filters)
+void Tally::set_filters(span<Filter*> filters)
 {
   // Clear old data.
   filters_.clear();
@@ -1370,7 +1371,7 @@ extern "C" int openmc_tally_set_filters(
   try {
     // Convert indices to filter pointers
     vector<Filter*> filters;
-    for (gsl::index i = 0; i < n; ++i) {
+    for (int64_t i = 0; i < n; ++i) {
       int32_t i_filt = indices[i];
       filters.push_back(model::tally_filters.at(i_filt).get());
     }
diff --git a/src/weight_windows.cpp b/src/weight_windows.cpp
index 19ae7c077..9daf21f75 100644
--- a/src/weight_windows.cpp
+++ b/src/weight_windows.cpp
@@ -1,6 +1,7 @@
 #include "openmc/weight_windows.h"
 
 #include <algorithm>
+#include <cassert>
 #include <cmath>
 #include <set>
 #include <string>
@@ -32,7 +33,6 @@
 #include "openmc/xml_interface.h"
 
 #include <fmt/core.h>
-#include <gsl/gsl-lite.hpp>
 
 namespace openmc {
 
@@ -289,7 +289,7 @@ void WeightWindows::allocate_ww_bounds()
 
 void WeightWindows::set_id(int32_t id)
 {
-  Expects(id >= 0 || id == C_NONE);
+  assert(id >= 0 || id == C_NONE);
 
   // Clear entry in mesh map in case one was already assigned
   if (id_ != C_NONE) {
@@ -317,7 +317,7 @@ void WeightWindows::set_id(int32_t id)
   variance_reduction::ww_map[id] = index_;
 }
 
-void WeightWindows::set_energy_bounds(gsl::span<const double> bounds)
+void WeightWindows::set_energy_bounds(span<const double> bounds)
 {
   energy_bounds_.clear();
   energy_bounds_.insert(energy_bounds_.begin(), bounds.begin(), bounds.end());
@@ -452,7 +452,7 @@ void WeightWindows::set_bounds(
 }
 
 void WeightWindows::set_bounds(
-  gsl::span<const double> lower_bounds, gsl::span<const double> upper_bounds)
+  span<const double> lower_bounds, span<const double> upper_bounds)
 {
   check_bounds(lower_bounds, upper_bounds);
   auto shape = this->bounds_size();
@@ -466,8 +466,7 @@ void WeightWindows::set_bounds(
     xt::adapt(upper_bounds.data(), upper_ww_.shape());
 }
 
-void WeightWindows::set_bounds(
-  gsl::span<const double> lower_bounds, double ratio)
+void WeightWindows::set_bounds(span<const double> lower_bounds, double ratio)
 {
   this->check_bounds(lower_bounds);
 
diff --git a/vendor/gsl-lite b/vendor/gsl-lite
deleted file mode 160000
index 913e86d49..000000000
--- a/vendor/gsl-lite
+++ /dev/null
@@ -1 +0,0 @@
-Subproject commit 913e86d49c6a1acca980f4e325378f9dc393493a

From 7638661fadaa30efac059374c8191d1c20c274b4 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 20 Feb 2025 13:07:07 -0600
Subject: [PATCH 2248/2654] Add nuclides_to_ignore argument on Model export
 methods (#3309)

Co-authored-by: Patrick Shriwise <pshriwise@gmail.com>
---
 openmc/model/model.py          | 18 +++++++++++++-----
 tests/unit_tests/test_model.py | 18 ++++++++++++++++++
 2 files changed, 31 insertions(+), 5 deletions(-)

diff --git a/openmc/model/model.py b/openmc/model/model.py
index 5e93d9804..c7f358ce8 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -441,7 +441,8 @@ class Model:
                 depletion_operator.cleanup_when_done = True
                 depletion_operator.finalize()
 
-    def export_to_xml(self, directory='.', remove_surfs=False):
+    def export_to_xml(self, directory: PathLike = '.', remove_surfs: bool = False,
+                      nuclides_to_ignore: Iterable[str] | None = None):
         """Export model to separate XML files.
 
         Parameters
@@ -454,6 +455,9 @@ class Model:
             exporting.
 
             .. versionadded:: 0.13.1
+        nuclides_to_ignore : list of str
+            Nuclides to ignore when exporting to XML.
+
         """
         # Create directory if required
         d = Path(directory)
@@ -467,18 +471,19 @@ class Model:
         # for all materials in the geometry and use that to automatically build
         # a collection.
         if self.materials:
-            self.materials.export_to_xml(d)
+            self.materials.export_to_xml(d, nuclides_to_ignore=nuclides_to_ignore)
         else:
             materials = openmc.Materials(self.geometry.get_all_materials()
                                          .values())
-            materials.export_to_xml(d)
+            materials.export_to_xml(d, nuclides_to_ignore=nuclides_to_ignore)
 
         if self.tallies:
             self.tallies.export_to_xml(d)
         if self.plots:
             self.plots.export_to_xml(d)
 
-    def export_to_model_xml(self, path='model.xml', remove_surfs=False):
+    def export_to_model_xml(self, path: PathLike = 'model.xml', remove_surfs: bool = False,
+                            nuclides_to_ignore: Iterable[str] | None = None):
         """Export model to a single XML file.
 
         .. versionadded:: 0.13.3
@@ -491,6 +496,8 @@ class Model:
         remove_surfs : bool
             Whether or not to remove redundant surfaces from the geometry when
             exporting.
+        nuclides_to_ignore : list of str
+            Nuclides to ignore when exporting to XML.
 
         """
         xml_path = Path(path)
@@ -536,7 +543,8 @@ class Model:
             fh.write("<model>\n")
             # Write the materials collection to the open XML file first.
             # This will write the XML header also
-            materials._write_xml(fh, False, level=1)
+            materials._write_xml(fh, False, level=1,
+                                 nuclides_to_ignore=nuclides_to_ignore)
             # Write remaining elements as a tree
             fh.write(ET.tostring(geometry_element, encoding="unicode"))
             fh.write(ET.tostring(settings_element, encoding="unicode"))
diff --git a/tests/unit_tests/test_model.py b/tests/unit_tests/test_model.py
index 4b567c56d..4d7d5be2b 100644
--- a/tests/unit_tests/test_model.py
+++ b/tests/unit_tests/test_model.py
@@ -593,6 +593,24 @@ def test_single_xml_exec(run_in_tmpdir):
     pincell_model.run(path='subdir')
 
 
+def test_nuclides_to_ignore(run_in_tmpdir, pin_model_attributes):
+    """Test nuclides_to_ignore when exporting a model XML"""
+    materials, geometry, settings = pin_model_attributes[:3]
+    model = openmc.Model(geometry=geometry, settings=settings)
+
+    # grab one of the nuclides present in this model as a test
+    test_nuclide = list(materials[0].get_nuclides())[0]
+
+    # exclude the test nuclide from the XML file during export
+    model.export_to_model_xml(nuclides_to_ignore=[test_nuclide])
+
+    # ensure that the nuclide doesn't appear after reading in
+    # the resulting XML model
+    xml_model = openmc.Model.from_model_xml()
+    for material in xml_model.materials:
+        assert test_nuclide not in material.get_nuclides()
+
+
 def test_model_plot():
     # plots the geometry with source location and checks the resulting
     # matplotlib includes the correct coordinates for the scatter plot for all

From 2b788ea6e0cc3ffa31daec33584214bbc667d622 Mon Sep 17 00:00:00 2001
From: Zoe Prieto <101403129+zoeprieto@users.noreply.github.com>
Date: Thu, 20 Feb 2025 22:51:05 -0300
Subject: [PATCH 2249/2654] Streamline use of CompositeSurface with
 SurfaceFilter (#3167)

Co-authored-by: Patrick Shriwise <pshriwise@gmail.com>
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/model/surface_composite.py | 4 ++++
 1 file changed, 4 insertions(+)

diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index 88433118b..3a17b6169 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -33,6 +33,10 @@ class CompositeSurface(ABC):
             setattr(surf, name, s.rotate(rotation, pivot, order, inplace))
         return surf
 
+    @property
+    def component_surfaces(self):
+        return [getattr(self, name) for name in self._surface_names]
+
     @property
     def boundary_type(self):
         return getattr(self, self._surface_names[0]).boundary_type

From d643ad0c416e91f61ff736438faff19009b88c70 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 21 Feb 2025 11:47:38 -0600
Subject: [PATCH 2250/2654] Simulation of decay photons through the D1S method
 (#3235)

D1S FTW!
---
 CMakeLists.txt                                |   2 +
 docs/source/conf.py                           |   2 +-
 docs/source/pythonapi/base.rst                |   1 +
 docs/source/pythonapi/capi.rst                |   1 +
 docs/source/pythonapi/deplete.rst             |  12 +
 docs/source/usersguide/decay_sources.rst      |  92 +++++++
 docs/source/usersguide/index.rst              |   2 +-
 include/openmc/chain.h                        |  97 +++++++
 include/openmc/endf.h                         |   4 +
 include/openmc/particle.h                     |   3 +-
 include/openmc/particle_data.h                |   6 +
 include/openmc/reaction.h                     |   4 +-
 include/openmc/reaction_product.h             |   6 +
 include/openmc/settings.h                     |   1 +
 include/openmc/tallies/filter.h               |   1 +
 .../openmc/tallies/filter_parent_nuclide.h    |  56 ++++
 openmc/deplete/abc.py                         | 111 ++++----
 openmc/deplete/d1s.py                         | 246 ++++++++++++++++++
 openmc/filter.py                              |  31 ++-
 openmc/lib/core.py                            |   1 +
 openmc/lib/filter.py                          |  12 +-
 openmc/material.py                            |   5 +-
 openmc/settings.py                            |  25 +-
 src/chain.cpp                                 | 116 +++++++++
 src/initialize.cpp                            |  21 +-
 src/nuclide.cpp                               |  27 +-
 src/particle.cpp                              |   6 +-
 src/physics.cpp                               |  33 ++-
 src/reaction.cpp                              |  34 ++-
 src/reaction_product.cpp                      |  23 ++
 src/settings.cpp                              |   6 +
 src/tallies/filter.cpp                        |   3 +
 src/tallies/filter_parent_nuclide.cpp         |  79 ++++++
 tests/chain_ni.xml                            | 173 ++++++++++++
 tests/regression_tests/surface_source/test.py |  25 +-
 tests/unit_tests/test_d1s.py                  | 132 ++++++++++
 36 files changed, 1298 insertions(+), 101 deletions(-)
 create mode 100644 docs/source/usersguide/decay_sources.rst
 create mode 100644 include/openmc/chain.h
 create mode 100644 include/openmc/tallies/filter_parent_nuclide.h
 create mode 100644 openmc/deplete/d1s.py
 create mode 100644 src/chain.cpp
 create mode 100644 src/tallies/filter_parent_nuclide.cpp
 create mode 100644 tests/chain_ni.xml
 create mode 100644 tests/unit_tests/test_d1s.py

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 35694a14b..f76fcb247 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -342,6 +342,7 @@ list(APPEND libopenmc_SOURCES
   src/boundary_condition.cpp
   src/bremsstrahlung.cpp
   src/cell.cpp
+  src/chain.cpp
   src/cmfd_solver.cpp
   src/cross_sections.cpp
   src/dagmc.cpp
@@ -424,6 +425,7 @@ list(APPEND libopenmc_SOURCES
   src/tallies/filter_meshsurface.cpp
   src/tallies/filter_mu.cpp
   src/tallies/filter_musurface.cpp
+  src/tallies/filter_parent_nuclide.cpp
   src/tallies/filter_particle.cpp
   src/tallies/filter_polar.cpp
   src/tallies/filter_sph_harm.cpp
diff --git a/docs/source/conf.py b/docs/source/conf.py
index 726269f0b..60bd406fb 100644
--- a/docs/source/conf.py
+++ b/docs/source/conf.py
@@ -52,7 +52,7 @@ if not on_rtd:
 templates_path = ['_templates']
 
 # The suffix of source filenames.
-source_suffix = '.rst'
+source_suffix = {'.rst': 'restructuredtext'}
 
 # The encoding of source files.
 #source_encoding = 'utf-8'
diff --git a/docs/source/pythonapi/base.rst b/docs/source/pythonapi/base.rst
index d6d04444f..bfd942727 100644
--- a/docs/source/pythonapi/base.rst
+++ b/docs/source/pythonapi/base.rst
@@ -145,6 +145,7 @@ Constructing Tallies
    openmc.TimeFilter
    openmc.ZernikeFilter
    openmc.ZernikeRadialFilter
+   openmc.ParentNuclideFilter
    openmc.ParticleFilter
    openmc.RegularMesh
    openmc.RectilinearMesh
diff --git a/docs/source/pythonapi/capi.rst b/docs/source/pythonapi/capi.rst
index 9ceff83fd..c8e0e874d 100644
--- a/docs/source/pythonapi/capi.rst
+++ b/docs/source/pythonapi/capi.rst
@@ -79,6 +79,7 @@ Classes
    MeshSurfaceFilter
    MuFilter
    Nuclide
+   ParentNuclideFilter
    ParticleFilter
    PolarFilter
    RectilinearMesh
diff --git a/docs/source/pythonapi/deplete.rst b/docs/source/pythonapi/deplete.rst
index 8731a9a13..d7a779b12 100644
--- a/docs/source/pythonapi/deplete.rst
+++ b/docs/source/pythonapi/deplete.rst
@@ -287,3 +287,15 @@ the following abstract base classes:
    abc.Integrator
    abc.SIIntegrator
    abc.DepSystemSolver
+
+D1S Functions
+-------------
+
+.. autosummary::
+   :toctree: generated
+   :nosignatures:
+   :template: myfunction.rst
+
+   d1s.prepare_tallies
+   d1s.time_correction_factors
+   d1s.apply_time_correction
diff --git a/docs/source/usersguide/decay_sources.rst b/docs/source/usersguide/decay_sources.rst
new file mode 100644
index 000000000..e61220696
--- /dev/null
+++ b/docs/source/usersguide/decay_sources.rst
@@ -0,0 +1,92 @@
+.. usersguide_decay_sources:
+
+=============
+Decay Sources
+=============
+
+Through the :ref:`depletion <usersguide_depletion>` capabilities in OpenMC, it
+is possible to simulate radiation emitted from the decay of activated materials.
+For fusion energy systems, this is commonly done using what is known as the
+`rigorous 2-step <https://doi.org/10.1016/S0920-3796(02)00144-8>`_ (R2S) method.
+In this method, a neutron transport calculation is used to determine the neutron
+flux and reaction rates over a cell- or mesh-based spatial discretization of the
+model. Then, the neutron flux in each discrete region is used to predict the
+activated material composition using a depletion solver. Finally, a photon
+transport calculation with a source based on the activity and energy spectrum of
+the activated materials is used to determine a desired physical response (e.g.,
+a dose rate) at one or more locations of interest.
+
+Once a depletion simulation has been completed in OpenMC, the intrinsic decay
+source can be determined as follows. First the activated material composition
+can be determined using the :class:`openmc.deplete.Results` object. Indexing an
+instance of this class with the timestep index returns a
+:class:`~openmc.deplete.StepResult` object, which itself has a
+:meth:`~openmc.deplete.StepResult.get_material` method. Once the activated
+:class:`~openmc.Material` has been obtained, the
+:meth:`~openmc.Material.get_decay_photon_energy` method will give the energy
+spectrum of the decay photon source. The integral of the spectrum also indicates
+the intensity of the source in units of [Bq]. Altogether, the workflow looks as
+follows::
+
+    results = openmc.deplete.Results("depletion_results.h5")
+
+    # Get results at last timestep
+    step = results[-1]
+
+    # Get activated material composition for ID=1
+    activated_mat = step.get_material('1')
+
+    # Determine photon source
+    photon_energy = activated_mat.get_decay_photon_energy()
+
+By default, the :meth:`~openmc.Material.get_decay_photon_energy` method will
+eliminate spectral lines with very low intensity, but this behavior can be
+configured with the ``clip_tolerance`` argument.
+
+Direct 1-Step (D1S) Calculations
+================================
+
+OpenMC also includes built-in capability for performing shutdown dose rate
+calculations using the `direct 1-step <https://10.1016/S0920-3796(01)00188-0>`_
+(D1S) method. In this method, a single coupled neutron--photon transport
+calculation is used where the prompt photon production is replaced with photons
+produced from the decay of radionuclides in an activated material. To obtain
+properly scaled results, it is also necessary to apply time correction factors.
+A normal neutron transport calculation can be extended to a D1S calculation with
+a few helper functions. First, import the ``d1s`` submodule, which is part of
+:mod:`openmc.deplete`::
+
+    from openmc.deplete import d1s
+
+First, you need to instruct OpenMC to use decay photon data instead of prompt
+photon data. This is done with an attribute on the :class:`~openmc.Settings`
+class::
+
+    model = openmc.Model()
+    ...
+    model.settings.use_decay_photons = True
+
+To prepare any tallies for use of the D1S method, you should call the
+:func:`~openmc.deplete.d1s.prepare_tallies` function, which adds a
+:class:`openmc.ParentNuclideFilter` (used later for assigning time correction
+factors) to any applicable tally and returns a list of possible radionuclides
+based on the :ref:`chain file <usersguide_data>`. Once the tallies are prepared,
+the model can be simulated::
+
+    output_path = model.run()
+
+Finally, the time correction factors need to be computed and applied to the
+relevant tallies. This can be done with the aid of the
+:func:`~openmc.deplete.d1s.time_correction_factors` and
+:func:`~openmc.deplete.d1s.apply_time_correction` functions::
+
+    # Compute time correction factors based on irradiation schedule
+    factors = d1s.time_correction_factors(nuclides, timesteps, source_rates)
+
+    # Get tally from statepoint
+    with openmc.StatePoint(output_path) as sp:
+        dose_tally = sp.get_tally(name='dose tally')
+
+    # Apply time correction factors
+    tally = d1s.apply_time_correction(tally, factors, time_index)
+
diff --git a/docs/source/usersguide/index.rst b/docs/source/usersguide/index.rst
index 74651c011..aef9b1a1c 100644
--- a/docs/source/usersguide/index.rst
+++ b/docs/source/usersguide/index.rst
@@ -21,6 +21,7 @@ essential aspects of using OpenMC to perform simulations.
     tallies
     plots
     depletion
+    decay_sources
     scripts
     processing
     parallel
@@ -28,4 +29,3 @@ essential aspects of using OpenMC to perform simulations.
     variance_reduction
     random_ray
     troubleshoot
-    
\ No newline at end of file
diff --git a/include/openmc/chain.h b/include/openmc/chain.h
new file mode 100644
index 000000000..a3bc6f3a3
--- /dev/null
+++ b/include/openmc/chain.h
@@ -0,0 +1,97 @@
+//! \file chain.h
+//! \brief Depletion chain and associated information
+
+#ifndef OPENMC_CHAIN_H
+#define OPENMC_CHAIN_H
+
+#include <cmath>
+#include <string>
+#include <unordered_map>
+
+#include "pugixml.hpp"
+
+#include "openmc/angle_energy.h" // for AngleEnergy
+#include "openmc/distribution.h" // for UPtrDist
+#include "openmc/memory.h"       // for unique_ptr
+#include "openmc/vector.h"
+
+namespace openmc {
+
+//==============================================================================
+// Data for a nuclide in the depletion chain
+//==============================================================================
+
+class ChainNuclide {
+public:
+  // Types
+  struct Product {
+    std::string name;       //!< Reaction product name
+    double branching_ratio; //!< Branching ratio
+  };
+
+  // Constructors, destructors
+  ChainNuclide(pugi::xml_node node);
+  ~ChainNuclide();
+
+  //! Compute the decay constant for the nuclide
+  //! \return Decay constant in [1/s]
+  double decay_constant() const { return std::log(2.0) / half_life_; }
+
+  const Distribution* photon_energy() const { return photon_energy_.get(); }
+  const std::unordered_map<int, vector<Product>>& reaction_products() const
+  {
+    return reaction_products_;
+  }
+
+private:
+  // Data members
+  std::string name_;          //!< Name of nuclide
+  double half_life_ {0.0};    //!< Half-life in [s]
+  double decay_energy_ {0.0}; //!< Decay energy in [eV]
+  std::unordered_map<int, vector<Product>>
+    reaction_products_;    //!< Map of MT to reaction products
+  UPtrDist photon_energy_; //!< Decay photon energy distribution
+};
+
+//==============================================================================
+// Angle-energy distribution for decay photon
+//==============================================================================
+
+class DecayPhotonAngleEnergy : public AngleEnergy {
+public:
+  explicit DecayPhotonAngleEnergy(const Distribution* dist)
+    : photon_energy_(dist)
+  {}
+
+  //! Sample distribution for an angle and energy
+  //! \param[in] E_in Incoming energy in [eV]
+  //! \param[out] E_out Outgoing energy in [eV]
+  //! \param[out] mu Outgoing cosine with respect to current direction
+  //! \param[inout] seed Pseudorandom seed pointer
+  void sample(
+    double E_in, double& E_out, double& mu, uint64_t* seed) const override;
+
+private:
+  const Distribution* photon_energy_;
+};
+
+//==============================================================================
+// Global variables
+//==============================================================================
+
+namespace data {
+
+extern std::unordered_map<std::string, int> chain_nuclide_map;
+extern vector<unique_ptr<ChainNuclide>> chain_nuclides;
+
+} // namespace data
+
+//==============================================================================
+// Non-member functions
+//==============================================================================
+
+void read_chain_file_xml();
+
+} // namespace openmc
+
+#endif // OPENMC_CHAIN_H
diff --git a/include/openmc/endf.h b/include/openmc/endf.h
index e580874b4..4a737eb88 100644
--- a/include/openmc/endf.h
+++ b/include/openmc/endf.h
@@ -53,6 +53,10 @@ public:
   //! \param[in] dset Dataset containing coefficients
   explicit Polynomial(hid_t dset);
 
+  //! Construct polynomial from coefficients
+  //! \param[in] coef Polynomial coefficients
+  explicit Polynomial(vector<double> coef) : coef_(coef) {}
+
   //! Evaluate the polynomials
   //! \param[in] x independent variable
   //! \return Polynomial evaluated at x
diff --git a/include/openmc/particle.h b/include/openmc/particle.h
index aaac864e1..0f37719b9 100644
--- a/include/openmc/particle.h
+++ b/include/openmc/particle.h
@@ -47,7 +47,8 @@ public:
   //! \param u Direction of the secondary particle
   //! \param E Energy of the secondary particle in [eV]
   //! \param type Particle type
-  void create_secondary(double wgt, Direction u, double E, ParticleType type);
+  //! \return Whether a secondary particle was created
+  bool create_secondary(double wgt, Direction u, double E, ParticleType type);
 
   //! split a particle
   //
diff --git a/include/openmc/particle_data.h b/include/openmc/particle_data.h
index e2fac79e3..6b318385e 100644
--- a/include/openmc/particle_data.h
+++ b/include/openmc/particle_data.h
@@ -49,6 +49,9 @@ struct SourceSite {
   int delayed_group {0};
   int surf_id {0};
   ParticleType particle;
+
+  // Extra attributes that don't show up in source written to file
+  int parent_nuclide {-1};
   int64_t parent_id;
   int64_t progeny_id;
 };
@@ -441,6 +444,7 @@ private:
   int event_nuclide_;
   int event_mt_;
   int delayed_group_ {0};
+  int parent_nuclide_ {-1};
 
   int n_bank_ {0};
   double bank_second_E_ {0.0};
@@ -555,6 +559,8 @@ public:
   const int& event_nuclide() const { return event_nuclide_; }
   int& event_mt() { return event_mt_; }           // MT number of collision
   int& delayed_group() { return delayed_group_; } // delayed group
+  const int& parent_nuclide() const { return parent_nuclide_; }
+  int& parent_nuclide() { return parent_nuclide_; } // Parent nuclide
 
   // Post-collision data
   double& bank_second_E()
diff --git a/include/openmc/reaction.h b/include/openmc/reaction.h
index d5f04d136..3314d1866 100644
--- a/include/openmc/reaction.h
+++ b/include/openmc/reaction.h
@@ -26,7 +26,9 @@ public:
   //! Construct reaction from HDF5 data
   //! \param[in] group HDF5 group containing reaction data
   //! \param[in] temperatures Desired temperatures for cross sections
-  explicit Reaction(hid_t group, const vector<int>& temperatures);
+  //! \param[in] name Name of the nuclide
+  explicit Reaction(
+    hid_t group, const vector<int>& temperatures, std::string name);
 
   //! Calculate cross section given temperautre/grid index, interpolation factor
   //
diff --git a/include/openmc/reaction_product.h b/include/openmc/reaction_product.h
index ce4fa8fc7..4fbbc1b62 100644
--- a/include/openmc/reaction_product.h
+++ b/include/openmc/reaction_product.h
@@ -7,6 +7,7 @@
 #include "hdf5.h"
 
 #include "openmc/angle_energy.h"
+#include "openmc/chain.h"
 #include "openmc/endf.h"
 #include "openmc/memory.h" // for unique_ptr
 #include "openmc/particle.h"
@@ -37,6 +38,10 @@ public:
   //! \param[in] group HDF5 group containing data
   explicit ReactionProduct(hid_t group);
 
+  //! Construct reaction product for decay photon from chain nuclide product
+  //! \param[in] product Chain nuclide product
+  explicit ReactionProduct(const ChainNuclide::Product& product);
+
   //! Sample an outgoing angle and energy
   //! \param[in] E_in Incoming energy in [eV]
   //! \param[out] E_out Outgoing energy in [eV]
@@ -50,6 +55,7 @@ public:
   unique_ptr<Function1D> yield_;      //!< Yield as a function of energy
   vector<Tabulated1D> applicability_; //!< Applicability of distribution
   vector<Secondary> distribution_;    //!< Secondary angle-energy distribution
+  int parent_nuclide_ = -1;           //!< Index of chain nuclide that is parent
 };
 
 } // namespace openmc
diff --git a/include/openmc/settings.h b/include/openmc/settings.h
index 9a4ce56ec..12835fdef 100644
--- a/include/openmc/settings.h
+++ b/include/openmc/settings.h
@@ -67,6 +67,7 @@ extern bool trigger_predict;         //!< predict batches for triggers?
 extern bool uniform_source_sampling; //!< sample sources uniformly?
 extern bool ufs_on;                  //!< uniform fission site method on?
 extern bool urr_ptables_on;          //!< use unresolved resonance prob. tables?
+extern bool use_decay_photons;       //!< use decay photons for D1S
 extern "C" bool weight_windows_on;   //!< are weight windows are enabled?
 extern bool weight_window_checkpoint_surface;   //!< enable weight window check
                                                 //!< upon surface crossing?
diff --git a/include/openmc/tallies/filter.h b/include/openmc/tallies/filter.h
index 31dd609ed..3e982d0cf 100644
--- a/include/openmc/tallies/filter.h
+++ b/include/openmc/tallies/filter.h
@@ -36,6 +36,7 @@ enum class FilterType {
   MESH_SURFACE,
   MU,
   MUSURFACE,
+  PARENT_NUCLIDE,
   PARTICLE,
   POLAR,
   SPHERICAL_HARMONICS,
diff --git a/include/openmc/tallies/filter_parent_nuclide.h b/include/openmc/tallies/filter_parent_nuclide.h
new file mode 100644
index 000000000..53f8a5fa4
--- /dev/null
+++ b/include/openmc/tallies/filter_parent_nuclide.h
@@ -0,0 +1,56 @@
+#ifndef OPENMC_TALLIES_FILTER_PARENT_NUCLIDE_H
+#define OPENMC_TALLIES_FILTER_PARENT_NUCLIDE_H
+
+#include <string>
+#include <unordered_map>
+
+#include "openmc/span.h"
+#include "openmc/tallies/filter.h"
+#include "openmc/vector.h"
+
+namespace openmc {
+
+//==============================================================================
+//! Bins events by parent nuclide (for decay photons)
+//==============================================================================
+
+class ParentNuclideFilter : public Filter {
+public:
+  //----------------------------------------------------------------------------
+  // Constructors, destructors
+
+  ~ParentNuclideFilter() = default;
+
+  //----------------------------------------------------------------------------
+  // Methods
+
+  std::string type_str() const override { return "parentnuclide"; }
+  FilterType type() const override { return FilterType::PARENT_NUCLIDE; }
+
+  void from_xml(pugi::xml_node node) override;
+
+  void get_all_bins(const Particle& p, TallyEstimator estimator,
+    FilterMatch& match) const override;
+
+  void to_statepoint(hid_t filter_group) const override;
+
+  std::string text_label(int bin) const override;
+
+  //----------------------------------------------------------------------------
+  // Accessors
+
+  const vector<int>& bins() const { return bins_; }
+  void set_bins(span<const int> bins);
+
+protected:
+  //----------------------------------------------------------------------------
+  // Data members
+
+  vector<int> bins_;
+  vector<std::string> nuclides_;
+
+  std::unordered_map<int, int> map_;
+};
+
+} // namespace openmc
+#endif // OPENMC_TALLIES_FILTER_PARENT_NUCLIDE_H
diff --git a/openmc/deplete/abc.py b/openmc/deplete/abc.py
index 784023f26..fc98239a5 100644
--- a/openmc/deplete/abc.py
+++ b/openmc/deplete/abc.py
@@ -41,6 +41,63 @@ _SECONDS_PER_HOUR = 60*60
 _SECONDS_PER_DAY = 24*60*60
 _SECONDS_PER_JULIAN_YEAR = 365.25*24*60*60
 
+
+def _normalize_timesteps(
+        timesteps: Sequence[float] | Sequence[tuple[float, str]],
+        source_rates: float | Sequence[float],
+        timestep_units: str = 's',
+        operator: TransportOperator | None = None,
+):
+    if not isinstance(source_rates, Sequence):
+        # Ensure that rate is single value if that is the case
+        source_rates = [source_rates] * len(timesteps)
+
+    if len(source_rates) != len(timesteps):
+        raise ValueError(
+            "Number of time steps ({}) != number of powers ({})".format(
+                len(timesteps), len(source_rates)))
+
+    # Get list of times / units
+    if isinstance(timesteps[0], Sequence):
+        times, units = zip(*timesteps)
+    else:
+        times = timesteps
+        units = [timestep_units] * len(timesteps)
+
+    # Determine number of seconds for each timestep
+    seconds = []
+    for timestep, unit, rate in zip(times, units, source_rates):
+        # Make sure values passed make sense
+        check_type('timestep', timestep, Real)
+        check_greater_than('timestep', timestep, 0.0, False)
+        check_type('timestep units', unit, str)
+        check_type('source rate', rate, Real)
+        check_greater_than('source rate', rate, 0.0, True)
+
+        if unit in ('s', 'sec'):
+            seconds.append(timestep)
+        elif unit in ('min', 'minute'):
+            seconds.append(timestep*_SECONDS_PER_MINUTE)
+        elif unit in ('h', 'hr', 'hour'):
+            seconds.append(timestep*_SECONDS_PER_HOUR)
+        elif unit in ('d', 'day'):
+            seconds.append(timestep*_SECONDS_PER_DAY)
+        elif unit in ('a', 'year'):
+            seconds.append(timestep*_SECONDS_PER_JULIAN_YEAR)
+        elif unit.lower() == 'mwd/kg':
+            watt_days_per_kg = 1e6*timestep
+            kilograms = 1e-3*operator.heavy_metal
+            if rate == 0.0:
+                raise ValueError("Cannot specify a timestep in [MWd/kg] when"
+                                 " the power is zero.")
+            days = watt_days_per_kg * kilograms / rate
+            seconds.append(days*_SECONDS_PER_DAY)
+        else:
+            raise ValueError(f"Invalid timestep unit '{unit}'")
+
+    return (np.asarray(seconds), np.asarray(source_rates))
+
+
 OperatorResult = namedtuple('OperatorResult', ['k', 'rates'])
 OperatorResult.__doc__ = """\
 Result of applying transport operator
@@ -551,10 +608,10 @@ class Integrator(ABC):
     def __init__(
             self,
             operator: TransportOperator,
-            timesteps: Sequence[float],
+            timesteps: Sequence[float] | Sequence[tuple[float, str]],
             power: Optional[Union[float, Sequence[float]]] = None,
             power_density: Optional[Union[float, Sequence[float]]] = None,
-            source_rates: Optional[Sequence[float]] = None,
+            source_rates: Optional[Union[float, Sequence[float]]] = None,
             timestep_units: str = 's',
             solver: str = "cram48"
         ):
@@ -582,53 +639,9 @@ class Integrator(ABC):
         elif source_rates is None:
             raise ValueError("Either power, power_density, or source_rates must be set")
 
-        if not isinstance(source_rates, Iterable):
-            # Ensure that rate is single value if that is the case
-            source_rates = [source_rates] * len(timesteps)
-
-        if len(source_rates) != len(timesteps):
-            raise ValueError(
-                "Number of time steps ({}) != number of powers ({})".format(
-                    len(timesteps), len(source_rates)))
-
-        # Get list of times / units
-        if isinstance(timesteps[0], Iterable):
-            times, units = zip(*timesteps)
-        else:
-            times = timesteps
-            units = [timestep_units] * len(timesteps)
-
-        # Determine number of seconds for each timestep
-        seconds = []
-        for timestep, unit, rate in zip(times, units, source_rates):
-            # Make sure values passed make sense
-            check_type('timestep', timestep, Real)
-            check_greater_than('timestep', timestep, 0.0, False)
-            check_type('timestep units', unit, str)
-            check_type('source rate', rate, Real)
-            check_greater_than('source rate', rate, 0.0, True)
-
-            if unit in ('s', 'sec'):
-                seconds.append(timestep)
-            elif unit in ('min', 'minute'):
-                seconds.append(timestep*_SECONDS_PER_MINUTE)
-            elif unit in ('h', 'hr', 'hour'):
-                seconds.append(timestep*_SECONDS_PER_HOUR)
-            elif unit in ('d', 'day'):
-                seconds.append(timestep*_SECONDS_PER_DAY)
-            elif unit in ('a', 'year'):
-                seconds.append(timestep*_SECONDS_PER_JULIAN_YEAR)
-            elif unit.lower() == 'mwd/kg':
-                watt_days_per_kg = 1e6*timestep
-                kilograms = 1e-3*operator.heavy_metal
-                if rate == 0.0:
-                    raise ValueError("Cannot specify a timestep in [MWd/kg] when"
-                                     " the power is zero.")
-                days = watt_days_per_kg * kilograms / rate
-                seconds.append(days*_SECONDS_PER_DAY)
-            else:
-                raise ValueError(f"Invalid timestep unit '{unit}'")
-
+        # Normalize timesteps and source rates
+        seconds, source_rates = _normalize_timesteps(
+            timesteps, source_rates, timestep_units, operator)
         self.timesteps = np.asarray(seconds)
         self.source_rates = np.asarray(source_rates)
 
diff --git a/openmc/deplete/d1s.py b/openmc/deplete/d1s.py
new file mode 100644
index 000000000..22fc6ec23
--- /dev/null
+++ b/openmc/deplete/d1s.py
@@ -0,0 +1,246 @@
+"""D1S module
+
+This module contains functionality to support the direct 1-step (D1S) method for
+shutdown dose rate calculations.
+
+"""
+
+from copy import deepcopy
+from typing import Sequence
+from math import log, prod
+
+import numpy as np
+
+import openmc
+from openmc.data import half_life
+from .abc import _normalize_timesteps
+from .chain import Chain
+
+
+def get_radionuclides(model: openmc.Model, chain_file: str | None = None) -> list[str]:
+    """Determine all radionuclides that can be produced during D1S.
+
+    Parameters
+    ----------
+    model : openmc.Model
+        Model that should be used for determining what nuclides are present
+    chain_file : str, optional
+        Which chain file to use for inspecting decay data. If None is passed,
+        defaults to ``openmc.config['chain_file']``
+
+    Returns
+    -------
+    List of nuclide names
+
+    """
+    # Determine what nuclides appear in model
+    model_nuclides = set(model.geometry.get_all_nuclides())
+
+    # Load chain file
+    if chain_file is None:
+        chain_file = openmc.config['chain_file']
+    chain = Chain.from_xml(chain_file)
+
+    radionuclides = set()
+    for nuclide in chain.nuclides:
+        # Restrict to set of nuclides present in model
+        if nuclide.name not in model_nuclides:
+            continue
+
+        # Loop over reactions and add any targets that are unstable
+        for rx_tuple in nuclide.reactions:
+            target = rx_tuple.target
+            if target is None:
+                continue
+            target_nuclide = chain[target]
+            if target_nuclide.half_life is not None:
+                radionuclides.add(target_nuclide.name)
+
+    return list(radionuclides)
+
+
+def time_correction_factors(
+        nuclides: list[str],
+        timesteps: Sequence[float] | Sequence[tuple[float, str]],
+        source_rates: float | Sequence[float],
+        timestep_units: str = 's'
+) -> dict[str, np.ndarray]:
+    """Calculate time correction factors for the D1S method.
+
+    This function determines the time correction factor that should be applied
+    to photon tallies as part of the D1S method.
+
+    Parameters
+    ----------
+    nuclides : list of str
+        The name of the nuclide to find the time correction for, e.g., 'Ni65'
+    timesteps : iterable of float or iterable of tuple
+        Array of timesteps. Note that values are not cumulative. The units are
+        specified by the `timestep_units` argument when `timesteps` is an
+        iterable of float. Alternatively, units can be specified for each step
+        by passing a sequence of (value, unit) tuples.
+    source_rates : float or iterable of float
+        Source rate in [neutron/sec] for each interval in `timesteps`
+    timestep_units : {'s', 'min', 'h', 'd', 'a'}, optional
+        Units for values specified in the `timesteps` argument. 's' means
+        seconds, 'min' means minutes, 'h' means hours, and 'a' means Julian
+        years.
+
+    Returns
+    -------
+    dict
+        Dictionary mapping nuclide to an array of time correction factors for
+        each time.
+
+    """
+
+    # Determine normalized timesteps and source rates
+    timesteps, source_rates = _normalize_timesteps(
+        timesteps, source_rates, timestep_units)
+
+    # Calculate decay rate for each nuclide
+    decay_rate = np.array([log(2.0) / half_life(x) for x in nuclides])
+
+    n_timesteps = len(timesteps) + 1
+    n_nuclides = len(nuclides)
+
+    # Create a 2D array for the time correction factors
+    h = np.zeros((n_timesteps, n_nuclides))
+
+    for i, (dt, rate) in enumerate(zip(timesteps, source_rates)):
+        # Precompute the exponential terms. Since (1 - exp(-x)) is susceptible to
+        # roundoff error, use expm1 instead (which computes exp(x) - 1)
+        g = np.exp(-decay_rate*dt)
+        one_minus_g = -np.expm1(-decay_rate*dt)
+
+        # Eq. (4) in doi:10.1016/j.fusengdes.2019.111399
+        h[i + 1] = rate*one_minus_g + h[i]*g
+
+    return {nuclides[i]: h[:, i] for i in range(n_nuclides)}
+
+
+def apply_time_correction(
+        tally: openmc.Tally,
+        time_correction_factors: dict[str, np.ndarray],
+        index: int = -1,
+        sum_nuclides: bool = True
+) -> openmc.Tally:
+    """Apply time correction factors to a tally.
+
+    This function applies the time correction factors at the given index to a
+    tally that contains a :class:`~openmc.ParentNuclideFilter`. When
+    `sum_nuclides` is True, values over all parent nuclides will be summed,
+    leaving a single value for each filter combination.
+
+    Parameters
+    ----------
+    tally : openmc.Tally
+        Tally to apply the time correction factors to
+    time_correction_factors : dict
+        Time correction factors as returned by :func:`time_correction_factors`
+    index : int, optional
+        Index to use for the correction factors
+    sum_nuclides : bool
+        Whether to sum over the parent nuclides
+
+    Returns
+    -------
+    openmc.Tally
+        Derived tally with time correction factors applied
+
+    """
+    # Make sure the tally contains a ParentNuclideFilter
+    for i_filter, filter in enumerate(tally.filters):
+        if isinstance(filter, openmc.ParentNuclideFilter):
+            break
+    else:
+        raise ValueError('Tally must contain a ParentNuclideFilter')
+
+    # Get list of radionuclides based on tally filter
+    radionuclides = [str(x) for x in tally.filters[i_filter].bins]
+    tcf = np.array([time_correction_factors[x][index] for x in radionuclides])
+
+    # Create copy of tally
+    new_tally = deepcopy(tally)
+
+    # Determine number of bins in other filters
+    n_bins_before = prod([f.num_bins for f in tally.filters[:i_filter]])
+    n_bins_after = prod([f.num_bins for f in tally.filters[i_filter + 1:]])
+
+    # Reshape sum and sum_sq, apply TCF, and sum along that axis
+    _, n_nuclides, n_scores = new_tally.shape
+    n_radionuclides = len(radionuclides)
+    shape = (n_bins_before, n_radionuclides, n_bins_after, n_nuclides, n_scores)
+    tally_sum = new_tally.sum.reshape(shape)
+    tally_sum_sq = new_tally.sum_sq.reshape(shape)
+
+    # Apply TCF, broadcasting to the correct dimensions
+    tcf.shape = (1, -1, 1, 1, 1)
+    new_tally._sum = tally_sum * tcf
+    new_tally._sum_sq = tally_sum_sq * (tcf*tcf)
+    new_tally._mean = None
+    new_tally._std_dev = None
+
+    shape = (-1, n_nuclides, n_scores)
+
+    if sum_nuclides:
+        # Query the mean and standard deviation
+        mean = new_tally.mean
+        std_dev = new_tally.std_dev
+
+        # Sum over parent nuclides (note that when combining different bins for
+        # parent nuclide, we can't work directly on sum_sq)
+        new_tally._mean = mean.sum(axis=1).reshape(shape)
+        new_tally._std_dev = np.linalg.norm(std_dev, axis=1).reshape(shape)
+        new_tally._derived = True
+
+        # Remove ParentNuclideFilter
+        new_tally.filters.pop(i_filter)
+    else:
+        new_tally._sum.shape = shape
+        new_tally._sum_sq.shape = shape
+
+    return new_tally
+
+
+def prepare_tallies(
+        model: openmc.Model,
+        nuclides: list[str] | None = None,
+        chain_file: str | None = None
+) -> list[str]:
+    """Prepare tallies for the D1S method.
+
+    This function adds a :class:`~openmc.ParentNuclideFilter` to any tally that
+    has a particle filter with a single 'photon' bin.
+
+    Parameters
+    ----------
+    model : openmc.Model
+        Model to prepare tallies for
+    nuclides : list of str, optional
+        Nuclides to use for the parent nuclide filter. If None, radionuclides
+        are determined from :func:`get_radionuclides`.
+    chain_file : str, optional
+        Chain file to use for inspecting decay data. If None, defaults to
+        ``openmc.config['chain_file']``
+
+    Returns
+    -------
+    list of str
+        List of parent nuclides being filtered on
+
+    """
+    if nuclides is None:
+        nuclides = get_radionuclides(model, chain_file)
+    filter = openmc.ParentNuclideFilter(nuclides)
+
+    # Apply parent nuclide filter to any tally that has a particle filter with a
+    # single 'photon' bin
+    for tally in model.tallies:
+        for f in tally.filters:
+            if isinstance(f, openmc.ParticleFilter):
+                if list(f.bins) == ['photon']:
+                    tally.filters.append(filter)
+                    break
+
+    return nuclides
diff --git a/openmc/filter.py b/openmc/filter.py
index b5926af5a..35a7e7c7e 100644
--- a/openmc/filter.py
+++ b/openmc/filter.py
@@ -25,7 +25,7 @@ _FILTER_TYPES = (
     'energyout', 'mu', 'musurface', 'polar', 'azimuthal', 'distribcell', 'delayedgroup',
     'energyfunction', 'cellfrom', 'materialfrom', 'legendre', 'spatiallegendre',
     'sphericalharmonics', 'zernike', 'zernikeradial', 'particle', 'cellinstance',
-    'collision', 'time'
+    'collision', 'time', 'parentnuclide'
 )
 
 _CURRENT_NAMES = (
@@ -732,7 +732,7 @@ class SurfaceFilter(WithIDFilter):
 
 
 class ParticleFilter(Filter):
-    """Bins tally events based on the Particle type.
+    """Bins tally events based on the particle type.
 
     Parameters
     ----------
@@ -788,6 +788,33 @@ class ParticleFilter(Filter):
         return cls(bins, filter_id=filter_id)
 
 
+class ParentNuclideFilter(ParticleFilter):
+    """Bins tally events based on the parent nuclide
+
+    Parameters
+    ----------
+    bins : str, or iterable of str
+        Names of nuclides (e.g., 'Ni65')
+    filter_id : int
+        Unique identifier for the filter
+
+    Attributes
+    ----------
+    bins : iterable of str
+        Names of nuclides
+    id : int
+        Unique identifier for the filter
+    num_bins : Integral
+        The number of filter bins
+
+    """
+    @Filter.bins.setter
+    def bins(self, bins):
+        bins = np.atleast_1d(bins)
+        cv.check_iterable_type('filter bins', bins, str)
+        self._bins = bins
+
+
 class MeshFilter(Filter):
     """Bins tally event locations by mesh elements.
 
diff --git a/openmc/lib/core.py b/openmc/lib/core.py
index 8561602e6..577913dcb 100644
--- a/openmc/lib/core.py
+++ b/openmc/lib/core.py
@@ -25,6 +25,7 @@ class _SourceSite(Structure):
                 ('delayed_group', c_int),
                 ('surf_id', c_int),
                 ('particle', c_int),
+                ('parent_nuclide', c_int),
                 ('parent_id', c_int64),
                 ('progeny_id', c_int64)]
 
diff --git a/openmc/lib/filter.py b/openmc/lib/filter.py
index b30f5e662..b6086c567 100644
--- a/openmc/lib/filter.py
+++ b/openmc/lib/filter.py
@@ -21,9 +21,10 @@ __all__ = [
     'CellInstanceFilter', 'CollisionFilter', 'DistribcellFilter', 'DelayedGroupFilter',
     'EnergyFilter', 'EnergyoutFilter', 'EnergyFunctionFilter', 'LegendreFilter',
     'MaterialFilter', 'MaterialFromFilter', 'MeshFilter', 'MeshBornFilter',
-    'MeshSurfaceFilter', 'MuFilter', 'MuSurfaceFilter', 'ParticleFilter', 'PolarFilter',
-    'SphericalHarmonicsFilter', 'SpatialLegendreFilter', 'SurfaceFilter', 'UniverseFilter',
-    'ZernikeFilter', 'ZernikeRadialFilter', 'filters'
+    'MeshSurfaceFilter', 'MuFilter', 'MuSurfaceFilter', 'ParentNuclideFilter',
+    'ParticleFilter', 'PolarFilter', 'SphericalHarmonicsFilter',
+    'SpatialLegendreFilter', 'SurfaceFilter', 'UniverseFilter', 'ZernikeFilter',
+    'ZernikeRadialFilter', 'filters'
 ]
 
 # Tally functions
@@ -544,6 +545,10 @@ class MuSurfaceFilter(Filter):
     filter_type = 'musurface'
 
 
+class ParentNuclideFilter(Filter):
+    filter_type = 'parentnuclide'
+
+
 class ParticleFilter(Filter):
     filter_type = 'particle'
 
@@ -647,6 +652,7 @@ _FILTER_TYPE_MAP = {
     'meshsurface': MeshSurfaceFilter,
     'mu': MuFilter,
     'musurface': MuSurfaceFilter,
+    'parentnuclide': ParentNuclideFilter,
     'particle': ParticleFilter,
     'polar': PolarFilter,
     'sphericalharmonics': SphericalHarmonicsFilter,
diff --git a/openmc/material.py b/openmc/material.py
index 343b2fff2..64458f571 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -308,8 +308,9 @@ class Material(IDManagerMixin):
 
         Returns
         -------
-        Decay photon energy distribution. The integral of this distribution is
-        the total intensity of the photon source in the requested units.
+        Univariate or None
+            Decay photon energy distribution. The integral of this distribution
+            is the total intensity of the photon source in the requested units.
 
         """
         cv.check_value('units', units, {'Bq', 'Bq/g', 'Bq/cm3'})
diff --git a/openmc/settings.py b/openmc/settings.py
index 110d57c19..0e2a18399 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -275,6 +275,8 @@ class Settings:
     ufs_mesh : openmc.RegularMesh
         Mesh to be used for redistributing source sites via the uniform fission
         site (UFS) method.
+    use_decay_photons : bool
+        Produce decay photons from neutron reactions instead of prompt
     verbosity : int
         Verbosity during simulation between 1 and 10. Verbosity levels are
         described in :ref:`verbosity`.
@@ -393,6 +395,7 @@ class Settings:
         self._weight_window_checkpoints = {}
         self._max_history_splits = None
         self._max_tracks = None
+        self._use_decay_photons = None
 
         self._random_ray = {}
 
@@ -1143,6 +1146,15 @@ class Settings:
 
         self._random_ray = random_ray
 
+    @property
+    def use_decay_photons(self) -> bool:
+        return self._use_decay_photons
+
+    @use_decay_photons.setter
+    def use_decay_photons(self, value):
+        cv.check_type('use decay photons', value, bool)
+        self._use_decay_photons = value
+
     def _create_run_mode_subelement(self, root):
         elem = ET.SubElement(root, "run_mode")
         elem.text = self._run_mode.value
@@ -1431,6 +1443,11 @@ class Settings:
             root.append(self.ufs_mesh.to_xml_element())
             if mesh_memo is not None: mesh_memo.add(self.ufs_mesh.id)
 
+    def _create_use_decay_photons_subelement(self, root):
+        if self._use_decay_photons is not None:
+            element = ET.SubElement(root, "use_decay_photons")
+            element.text = str(self._use_decay_photons).lower()
+
     def _create_resonance_scattering_subelement(self, root):
         res = self.resonance_scattering
         if res:
@@ -1957,6 +1974,11 @@ class Settings:
                 elif child.tag == 'sample_method':
                     self.random_ray['sample_method'] = child.text
 
+    def _use_decay_photons_from_xml_element(self, root):
+        text = get_text(root, 'use_decay_photons')
+        if text is not None:
+            self.use_decay_photons = text in ('true', '1')
+
     def to_xml_element(self, mesh_memo=None):
         """Create a 'settings' element to be written to an XML file.
 
@@ -2021,6 +2043,7 @@ class Settings:
         self._create_max_history_splits_subelement(element)
         self._create_max_tracks_subelement(element)
         self._create_random_ray_subelement(element)
+        self._create_use_decay_photons_subelement(element)
 
         # Clean the indentation in the file to be user-readable
         clean_indentation(element)
@@ -2126,8 +2149,8 @@ class Settings:
         settings._max_history_splits_from_xml_element(elem)
         settings._max_tracks_from_xml_element(elem)
         settings._random_ray_from_xml_element(elem)
+        settings._use_decay_photons_from_xml_element(elem)
 
-        # TODO: Get volume calculations
         return settings
 
     @classmethod
diff --git a/src/chain.cpp b/src/chain.cpp
new file mode 100644
index 000000000..e279d1f59
--- /dev/null
+++ b/src/chain.cpp
@@ -0,0 +1,116 @@
+//! \file chain.cpp
+//! \brief Depletion chain and associated information
+
+#include "openmc/chain.h"
+
+#include <cstdlib> // for getenv
+#include <memory>  // for make_unique
+#include <string>  // for stod
+
+#include <fmt/core.h>
+#include <pugixml.hpp>
+
+#include "openmc/distribution.h" // for distribution_from_xml
+#include "openmc/error.h"
+#include "openmc/reaction.h"
+#include "openmc/xml_interface.h" // for get_node_value
+
+namespace openmc {
+
+//==============================================================================
+// ChainNuclide implementation
+//==============================================================================
+
+ChainNuclide::ChainNuclide(pugi::xml_node node)
+{
+  name_ = get_node_value(node, "name");
+  if (check_for_node(node, "half_life")) {
+    half_life_ = std::stod(get_node_value(node, "half_life"));
+  }
+  if (check_for_node(node, "decay_energy")) {
+    decay_energy_ = std::stod(get_node_value(node, "decay_energy"));
+  }
+
+  // Read reactions to store MT -> product map
+  for (pugi::xml_node reaction_node : node.children("reaction")) {
+    std::string rx_name = get_node_value(reaction_node, "type");
+    if (!reaction_node.attribute("target"))
+      continue;
+    std::string rx_target = get_node_value(reaction_node, "target");
+    double branching_ratio = 1.0;
+    if (reaction_node.attribute("branching_ratio")) {
+      branching_ratio =
+        std::stod(get_node_value(reaction_node, "branching_ratio"));
+    }
+    int mt = reaction_type(rx_name);
+    reaction_products_[mt].push_back({rx_target, branching_ratio});
+  }
+
+  for (pugi::xml_node source_node : node.children("source")) {
+    auto particle = get_node_value(source_node, "particle");
+    if (particle == "photon") {
+      photon_energy_ = distribution_from_xml(source_node);
+      break;
+    }
+  }
+
+  // Set entry in mapping
+  data::chain_nuclide_map[name_] = data::chain_nuclides.size();
+}
+
+ChainNuclide::~ChainNuclide()
+{
+  data::chain_nuclide_map.erase(name_);
+}
+
+//==============================================================================
+// DecayPhotonAngleEnergy implementation
+//==============================================================================
+
+void DecayPhotonAngleEnergy::sample(
+  double E_in, double& E_out, double& mu, uint64_t* seed) const
+{
+  E_out = photon_energy_->sample(seed);
+  mu = Uniform(-1., 1.).sample(seed);
+}
+
+//==============================================================================
+// Global variables
+//==============================================================================
+
+namespace data {
+
+std::unordered_map<std::string, int> chain_nuclide_map;
+vector<unique_ptr<ChainNuclide>> chain_nuclides;
+
+} // namespace data
+
+//==============================================================================
+// Non-member functions
+//==============================================================================
+
+void read_chain_file_xml()
+{
+  char* chain_file_path = std::getenv("OPENMC_CHAIN_FILE");
+  if (!chain_file_path) {
+    return;
+  }
+
+  write_message(5, "Reading chain file: {}...", chain_file_path);
+
+  pugi::xml_document doc;
+  auto result = doc.load_file(chain_file_path);
+  if (!result) {
+    fatal_error(
+      fmt::format("Error processing chain file: {}", chain_file_path));
+  }
+
+  // Get root element
+  pugi::xml_node root = doc.document_element();
+
+  for (auto node : root.children("nuclide")) {
+    data::chain_nuclides.push_back(std::make_unique<ChainNuclide>(node));
+  }
+}
+
+} // namespace openmc
diff --git a/src/initialize.cpp b/src/initialize.cpp
index cc1eac9cf..5f717b137 100644
--- a/src/initialize.cpp
+++ b/src/initialize.cpp
@@ -12,6 +12,7 @@
 #include <fmt/core.h>
 
 #include "openmc/capi.h"
+#include "openmc/chain.h"
 #include "openmc/constants.h"
 #include "openmc/cross_sections.h"
 #include "openmc/error.h"
@@ -164,16 +165,17 @@ void initialize_mpi(MPI_Comm intracomm)
   MPI_Get_address(&b.delayed_group, &disp[5]);
   MPI_Get_address(&b.surf_id, &disp[6]);
   MPI_Get_address(&b.particle, &disp[7]);
-  MPI_Get_address(&b.parent_id, &disp[8]);
-  MPI_Get_address(&b.progeny_id, &disp[9]);
-  for (int i = 9; i >= 0; --i) {
+  MPI_Get_address(&b.parent_nuclide, &disp[8]);
+  MPI_Get_address(&b.parent_id, &disp[9]);
+  MPI_Get_address(&b.progeny_id, &disp[10]);
+  for (int i = 10; i >= 0; --i) {
     disp[i] -= disp[0];
   }
 
-  int blocks[] {3, 3, 1, 1, 1, 1, 1, 1, 1, 1};
+  int blocks[] {3, 3, 1, 1, 1, 1, 1, 1, 1, 1, 1};
   MPI_Datatype types[] {MPI_DOUBLE, MPI_DOUBLE, MPI_DOUBLE, MPI_DOUBLE,
-    MPI_DOUBLE, MPI_INT, MPI_INT, MPI_INT, MPI_LONG, MPI_LONG};
-  MPI_Type_create_struct(10, blocks, disp, types, &mpi::source_site);
+    MPI_DOUBLE, MPI_INT, MPI_INT, MPI_INT, MPI_INT, MPI_LONG, MPI_LONG};
+  MPI_Type_create_struct(11, blocks, disp, types, &mpi::source_site);
   MPI_Type_commit(&mpi::source_site);
 }
 #endif // OPENMC_MPI
@@ -371,6 +373,9 @@ bool read_model_xml()
     }
   }
 
+  // Read data from chain file
+  read_chain_file_xml();
+
   // Read materials and cross sections
   if (!check_for_node(root, "materials")) {
     fatal_error(fmt::format(
@@ -423,6 +428,10 @@ void read_separate_xml_files()
   if (settings::run_mode != RunMode::PLOTTING) {
     read_cross_sections_xml();
   }
+
+  // Read data from chain file
+  read_chain_file_xml();
+
   read_materials_xml();
   read_geometry_xml();
 
diff --git a/src/nuclide.cpp b/src/nuclide.cpp
index d78b7a010..eaac2f756 100644
--- a/src/nuclide.cpp
+++ b/src/nuclide.cpp
@@ -248,7 +248,8 @@ Nuclide::Nuclide(hid_t group, const vector<double>& temperature)
   for (auto name : group_names(rxs_group)) {
     if (starts_with(name, "reaction_")) {
       hid_t rx_group = open_group(rxs_group, name.c_str());
-      reactions_.push_back(make_unique<Reaction>(rx_group, temps_to_read));
+      reactions_.push_back(
+        make_unique<Reaction>(rx_group, temps_to_read, name_));
 
       // Check for 0K elastic scattering
       const auto& rx = reactions_.back();
@@ -375,15 +376,15 @@ void Nuclide::create_derived(
       int j = rx->xs_[t].threshold;
       int n = rx->xs_[t].value.size();
       auto xs = xt::adapt(rx->xs_[t].value);
+      auto pprod = xt::view(xs_[t], xt::range(j, j + n), XS_PHOTON_PROD);
 
       for (const auto& p : rx->products_) {
         if (p.particle_ == ParticleType::photon) {
-          auto pprod = xt::view(xs_[t], xt::range(j, j + n), XS_PHOTON_PROD);
           for (int k = 0; k < n; ++k) {
             double E = grid_[t].energy[k + j];
 
-            // For fission, artificially increase the photon yield to account
-            // for delayed photons
+            // For fission, artificially increase the photon yield to
+            // account for delayed photons
             double f = 1.0;
             if (settings::delayed_photon_scaling) {
               if (is_fission(rx->mt_)) {
@@ -469,8 +470,8 @@ void Nuclide::create_derived(
         }
       }
     } else {
-      // Otherwise, assume that any that have 0 K elastic scattering data are
-      // resonant
+      // Otherwise, assume that any that have 0 K elastic scattering data
+      // are resonant
       resonant_ = !energy_0K_.empty();
     }
 
@@ -781,8 +782,8 @@ void Nuclide::calculate_xs(
       }
 
       for (int j = 0; j < DEPLETION_RX.size(); ++j) {
-        // If reaction is present and energy is greater than threshold, set the
-        // reaction xs appropriately
+        // If reaction is present and energy is greater than threshold, set
+        // the reaction xs appropriately
         int i_rx = reaction_index_[DEPLETION_RX[j]];
         if (i_rx >= 0) {
           const auto& rx = reactions_[i_rx];
@@ -819,9 +820,9 @@ void Nuclide::calculate_xs(
   // Initialize URR probability table treatment to false
   micro.use_ptable = false;
 
-  // If there is S(a,b) data for this nuclide, we need to set the sab_scatter
-  // and sab_elastic cross sections and correct the total and elastic cross
-  // sections.
+  // If there is S(a,b) data for this nuclide, we need to set the
+  // sab_scatter and sab_elastic cross sections and correct the total and
+  // elastic cross sections.
 
   if (i_sab >= 0)
     this->calculate_sab_xs(i_sab, sab_frac, p);
@@ -984,8 +985,8 @@ void Nuclide::calculate_urr_xs(int i_temp, Particle& p) const
   }
 
   // Set elastic, absorption, fission, total, and capture x/s. Note that the
-  // total x/s is calculated as a sum of partials instead of the table-provided
-  // value
+  // total x/s is calculated as a sum of partials instead of the
+  // table-provided value
   micro.elastic = elastic;
   micro.absorption = capture + fission;
   micro.fission = fission;
diff --git a/src/particle.cpp b/src/particle.cpp
index 5b46e2e63..c63c84674 100644
--- a/src/particle.cpp
+++ b/src/particle.cpp
@@ -75,13 +75,13 @@ double Particle::speed() const
   }
 }
 
-void Particle::create_secondary(
+bool Particle::create_secondary(
   double wgt, Direction u, double E, ParticleType type)
 {
   // If energy is below cutoff for this particle, don't create secondary
   // particle
   if (E < settings::energy_cutoff[static_cast<int>(type)]) {
-    return;
+    return false;
   }
 
   auto& bank = secondary_bank().emplace_back();
@@ -92,6 +92,7 @@ void Particle::create_secondary(
   bank.E = settings::run_CE ? E : g();
   bank.time = time();
   bank_second_E() += bank.E;
+  return true;
 }
 
 void Particle::split(double wgt)
@@ -137,6 +138,7 @@ void Particle::from_source(const SourceSite* src)
   E_last() = E();
   time() = src->time;
   time_last() = src->time;
+  parent_nuclide() = src->parent_nuclide;
 }
 
 void Particle::event_calculate_xs()
diff --git a/src/physics.cpp b/src/physics.cpp
index c324ce6b9..e04f54c0b 100644
--- a/src/physics.cpp
+++ b/src/physics.cpp
@@ -2,6 +2,7 @@
 
 #include "openmc/bank.h"
 #include "openmc/bremsstrahlung.h"
+#include "openmc/chain.h"
 #include "openmc/constants.h"
 #include "openmc/distribution_multi.h"
 #include "openmc/eigenvalue.h"
@@ -1145,9 +1146,21 @@ void sample_secondary_photons(Particle& p, int i_nuclide)
   // Sample the number of photons produced
   double y_t =
     p.neutron_xs(i_nuclide).photon_prod / p.neutron_xs(i_nuclide).total;
-  int y = static_cast<int>(y_t);
-  if (prn(p.current_seed()) <= y_t - y)
-    ++y;
+  double photon_wgt = p.wgt();
+  int y = 1;
+
+  if (settings::use_decay_photons) {
+    // For decay photons, sample a single photon and modify the weight
+    if (y_t <= 0.0)
+      return;
+    photon_wgt *= y_t;
+  } else {
+    // For prompt photons, sample an integral number of photons with weight
+    // equal to the neutron's weight
+    y = static_cast<int>(y_t);
+    if (prn(p.current_seed()) <= y_t - y)
+      ++y;
+  }
 
   // Sample each secondary photon
   for (int i = 0; i < y; ++i) {
@@ -1170,15 +1183,19 @@ void sample_secondary_photons(Particle& p, int i_nuclide)
     // release and deposition. See D. P. Griesheimer, S. J. Douglass, and M. H.
     // Stedry, "Self-consistent energy normalization for quasistatic reactor
     // calculations", Proc. PHYSOR, Cambridge, UK, Mar 29-Apr 2, 2020.
-    double wgt;
+    double wgt = photon_wgt;
     if (settings::run_mode == RunMode::EIGENVALUE && !is_fission(rx->mt_)) {
-      wgt = simulation::keff * p.wgt();
-    } else {
-      wgt = p.wgt();
+      wgt *= simulation::keff;
     }
 
     // Create the secondary photon
-    p.create_secondary(wgt, u, E, ParticleType::photon);
+    bool created_photon = p.create_secondary(wgt, u, E, ParticleType::photon);
+
+    // Tag secondary particle with parent nuclide
+    if (created_photon && settings::use_decay_photons) {
+      p.secondary_bank().back().parent_nuclide =
+        rx->products_[i_product].parent_nuclide_;
+    }
   }
 }
 
diff --git a/src/reaction.cpp b/src/reaction.cpp
index 60a14b2b3..971473438 100644
--- a/src/reaction.cpp
+++ b/src/reaction.cpp
@@ -1,17 +1,20 @@
 #include "openmc/reaction.h"
 
+#include <algorithm> // for remove_if
 #include <string>
 #include <unordered_map>
 #include <utility> // for move
 
 #include <fmt/core.h>
 
+#include "openmc/chain.h"
 #include "openmc/constants.h"
 #include "openmc/endf.h"
 #include "openmc/hdf5_interface.h"
 #include "openmc/random_lcg.h"
 #include "openmc/search.h"
 #include "openmc/secondary_uncorrelated.h"
+#include "openmc/settings.h"
 
 namespace openmc {
 
@@ -19,7 +22,8 @@ namespace openmc {
 // Reaction implementation
 //==============================================================================
 
-Reaction::Reaction(hid_t group, const vector<int>& temperatures)
+Reaction::Reaction(
+  hid_t group, const vector<int>& temperatures, std::string name)
 {
   read_attribute(group, "Q_value", q_value_);
   read_attribute(group, "mt", mt_);
@@ -63,6 +67,34 @@ Reaction::Reaction(hid_t group, const vector<int>& temperatures)
       close_group(pgroup);
     }
   }
+
+  if (settings::use_decay_photons) {
+    // Remove photon products for D1S method
+    products_.erase(
+      std::remove_if(products_.begin(), products_.end(),
+        [](const auto& p) { return p.particle_ == ParticleType::photon; }),
+      products_.end());
+
+    // Determine product for D1S method
+    auto nuclide_it = data::chain_nuclide_map.find(name);
+    if (nuclide_it != data::chain_nuclide_map.end()) {
+      const auto& chain_nuc = data::chain_nuclides[nuclide_it->second];
+      const auto& rx_products = chain_nuc->reaction_products();
+      auto product_it = rx_products.find(mt_);
+      if (product_it != rx_products.end()) {
+        auto decay_products = product_it->second;
+        for (const auto& decay_product : decay_products) {
+          auto product_it = data::chain_nuclide_map.find(decay_product.name);
+          if (product_it != data::chain_nuclide_map.end()) {
+            const auto& product_nuc = data::chain_nuclides[product_it->second];
+            if (product_nuc->photon_energy()) {
+              products_.emplace_back(decay_product);
+            }
+          }
+        }
+      }
+    }
+  }
 }
 
 double Reaction::xs(int64_t i_temp, int64_t i_grid, double interp_factor) const
diff --git a/src/reaction_product.cpp b/src/reaction_product.cpp
index 4cef8d3a9..3ba2c0cfb 100644
--- a/src/reaction_product.cpp
+++ b/src/reaction_product.cpp
@@ -83,6 +83,29 @@ ReactionProduct::ReactionProduct(hid_t group)
   }
 }
 
+ReactionProduct::ReactionProduct(const ChainNuclide::Product& product)
+{
+  particle_ = ParticleType::photon;
+  emission_mode_ = EmissionMode::delayed;
+
+  // Get chain nuclide object for radionuclide
+  parent_nuclide_ = data::chain_nuclide_map.at(product.name);
+  const auto& chain_nuc = data::chain_nuclides[parent_nuclide_].get();
+
+  // Determine decay constant in [s^-1]
+  decay_rate_ = chain_nuc->decay_constant();
+
+  // Determine number of photons per decay and set yield
+  double photon_per_sec = chain_nuc->photon_energy()->integral();
+  double photon_per_decay = photon_per_sec / decay_rate_;
+  vector<double> coef = {product.branching_ratio * photon_per_decay};
+  yield_ = make_unique<Polynomial>(coef);
+
+  // Set decay photon angle-energy distribution
+  distribution_.push_back(
+    make_unique<DecayPhotonAngleEnergy>(chain_nuc->photon_energy()));
+}
+
 void ReactionProduct::sample(
   double E_in, double& E_out, double& mu, uint64_t* seed) const
 {
diff --git a/src/settings.cpp b/src/settings.cpp
index 60263c846..e2f5a033b 100644
--- a/src/settings.cpp
+++ b/src/settings.cpp
@@ -75,6 +75,7 @@ bool trigger_predict {false};
 bool uniform_source_sampling {false};
 bool ufs_on {false};
 bool urr_ptables_on {true};
+bool use_decay_photons {false};
 bool weight_windows_on {false};
 bool weight_window_checkpoint_surface {false};
 bool weight_window_checkpoint_collision {true};
@@ -1124,6 +1125,11 @@ void read_settings_xml(pugi::xml_node root)
         get_node_value_bool(ww_checkpoints, "surface");
     }
   }
+
+  if (check_for_node(root, "use_decay_photons")) {
+    settings::use_decay_photons =
+      get_node_value_bool(root, "use_decay_photons");
+  }
 }
 
 void free_memory_settings()
diff --git a/src/tallies/filter.cpp b/src/tallies/filter.cpp
index 0ce1ee20b..6430d9ae1 100644
--- a/src/tallies/filter.cpp
+++ b/src/tallies/filter.cpp
@@ -28,6 +28,7 @@
 #include "openmc/tallies/filter_meshsurface.h"
 #include "openmc/tallies/filter_mu.h"
 #include "openmc/tallies/filter_musurface.h"
+#include "openmc/tallies/filter_parent_nuclide.h"
 #include "openmc/tallies/filter_particle.h"
 #include "openmc/tallies/filter_polar.h"
 #include "openmc/tallies/filter_sph_harm.h"
@@ -137,6 +138,8 @@ Filter* Filter::create(const std::string& type, int32_t id)
     return Filter::create<MuFilter>(id);
   } else if (type == "musurface") {
     return Filter::create<MuSurfaceFilter>(id);
+  } else if (type == "parentnuclide") {
+    return Filter::create<ParentNuclideFilter>(id);
   } else if (type == "particle") {
     return Filter::create<ParticleFilter>(id);
   } else if (type == "polar") {
diff --git a/src/tallies/filter_parent_nuclide.cpp b/src/tallies/filter_parent_nuclide.cpp
new file mode 100644
index 000000000..d04941075
--- /dev/null
+++ b/src/tallies/filter_parent_nuclide.cpp
@@ -0,0 +1,79 @@
+#include "openmc/tallies/filter_parent_nuclide.h"
+
+#include <cstdint> // for int64_t
+
+#include <fmt/core.h>
+
+#include "openmc/capi.h"
+#include "openmc/chain.h"
+#include "openmc/search.h"
+#include "openmc/settings.h"
+#include "openmc/xml_interface.h"
+
+namespace openmc {
+
+//==============================================================================
+// ParentNuclideFilter implementation
+//==============================================================================
+
+void ParentNuclideFilter::from_xml(pugi::xml_node node)
+{
+  nuclides_ = get_node_array<std::string>(node, "bins");
+
+  // Convert nuclides to indices in data::chain_nuclides
+  std::vector<int> bins;
+  for (const auto& nuclide : nuclides_) {
+    auto it = data::chain_nuclide_map.find(nuclide);
+    if (it != data::chain_nuclide_map.end()) {
+      bins.push_back(it->second);
+    } else {
+      // The default value of parent_nuclide is -1, so to prevent a score to
+      // this bin assign the value -2.
+      bins.push_back(-2);
+    }
+  }
+  this->set_bins(bins);
+}
+
+void ParentNuclideFilter::set_bins(span<const int> bins)
+{
+  // Clear existing bins
+  bins_.clear();
+  bins_.reserve(bins.size());
+  map_.clear();
+
+  // Set bins based on chain nuclide indexing
+  for (int64_t i = 0; i < bins.size(); ++i) {
+    bins_.push_back(bins[i]);
+    map_[bins[i]] = i;
+  }
+
+  n_bins_ = bins_.size();
+}
+
+void ParentNuclideFilter::get_all_bins(
+  const Particle& p, TallyEstimator estimator, FilterMatch& match) const
+{
+  // Get the particle's parent nuclide
+  int parent_nuclide = p.parent_nuclide();
+
+  // Find bin matching parent nuclide
+  auto search = map_.find(parent_nuclide);
+  if (search != map_.end()) {
+    match.bins_.push_back(search->second);
+    match.weights_.push_back(1.0);
+  }
+}
+
+void ParentNuclideFilter::to_statepoint(hid_t filter_group) const
+{
+  Filter::to_statepoint(filter_group);
+  write_dataset(filter_group, "bins", nuclides_);
+}
+
+std::string ParentNuclideFilter::text_label(int bin) const
+{
+  return fmt::format("Parent Nuclide {}", nuclides_[bin]);
+}
+
+} // namespace openmc
diff --git a/tests/chain_ni.xml b/tests/chain_ni.xml
new file mode 100644
index 000000000..fc96d3d8b
--- /dev/null
+++ b/tests/chain_ni.xml
@@ -0,0 +1,173 @@
+<depletion_chain>
+  <nuclide name="H1" reactions="1">
+    <reaction type="(n,gamma)" Q="2224631.0"/>
+  </nuclide>
+  <nuclide name="He4" reactions="0"/>
+  <nuclide name="Fe55" half_life="86594050.0" decay_modes="1" decay_energy="5842.102" reactions="0">
+    <decay type="ec/beta+" branching_ratio="1.0"/>
+    <source type="discrete" particle="photon">
+      <parameters>557.6039 640.4896 655.72 678.8113 5847.93 5858.68 6448.81 6450.12 6499.05 6499.18 126000.0 4.281895544855688e-11 8.113092795419058e-12 2.881383486075155e-13 8.900165070824795e-12 6.680021392530635e-10 1.3098276096378766e-09 7.960187308411459e-11 1.5666266690172673e-10 2.8061406316612144e-14 4.106367573258232e-14 1.0245835494664239e-17</parameters>
+    </source>
+    <source type="discrete" particle="positron">
+      <parameters>105210.0 231210.0 1.040592667426837e-17 8.004558980206438e-09</parameters>
+    </source>
+    <source type="discrete" particle="electron">
+      <parameters>36.67648 65.20168 562.7812 610.8647 5155.619 5764.491 6377.571 2.257651440763611e-08 2.654244519541021e-09 1.1943434358627441e-08 2.0711244046714524e-10 3.863926291321637e-09 9.499586470057554e-10 5.918783030777615e-11</parameters>
+    </source>
+  </nuclide>
+  <nuclide name="Fe57" reactions="4">
+    <reaction type="(n,2n)" Q="-7646000.0"/>
+    <reaction type="(n,gamma)" Q="10044540.0" target="Fe58"/>
+    <reaction type="(n,p)" Q="-1909000.0"/>
+    <reaction type="(n,a)" Q="2400000.0"/>
+  </nuclide>
+  <nuclide name="Fe58" reactions="4">
+    <reaction type="(n,2n)" Q="-10044000.0" target="Fe57"/>
+    <reaction type="(n,gamma)" Q="6580960.0" target="Fe59"/>
+    <reaction type="(n,p)" Q="-5159000.0"/>
+    <reaction type="(n,a)" Q="-1399000.0"/>
+  </nuclide>
+  <nuclide name="Fe59" half_life="3844368.0" decay_modes="1" decay_energy="1306009.3" reactions="0">
+    <decay type="beta-" branching_ratio="1.0"/>
+    <source type="discrete" particle="photon">
+      <parameters>780.0 6915.0 6930.0 7649.0 142651.0 189000.0 192343.0 334800.0 382000.0 1099245.0 1291590.0 1481700.0 1.0526870077721752e-12 1.0971242349369013e-11 2.1648606887732874e-11 3.9280951004469605e-12 1.8390802445841403e-09 1.622717862868359e-12 5.553301130705051e-09 4.868153588605077e-10 3.245435725736718e-11 1.018706213911803e-07 7.789045741768123e-08 1.0637817101025909e-10</parameters>
+    </source>
+    <source type="discrete" particle="electron">
+      <parameters>750.0 6070.0 83569.95 130946.9 134942.1 141725.4 184634.1 191417.4 273599.0 327091.1 333874.4 465943.0 1091536.0 1283881.0 1565200.0 1.4515384373262843e-10 5.994999523918275e-11 1.4063554811525778e-10 2.3619560003972782e-09 2.703447959538686e-11 2.7218387619845277e-12 4.520385317374064e-11 4.498173915871091e-12 8.16767990977074e-08 8.519268780058884e-13 8.275861100628631e-14 9.574035390923319e-08 1.6299297619569002e-11 8.567950315944936e-12 3.245435725736718e-10</parameters>
+    </source>
+  </nuclide>
+  <nuclide name="Fe61" half_life="358.8" decay_modes="1" decay_energy="2515414.0" reactions="0">
+    <decay type="beta-" target="Co61" branching_ratio="1.0"/>
+    <source type="discrete" particle="photon">
+      <parameters>120340.0 177610.0 297900.0 333000.0 349700.0 440500.0 542600.0 561400.0 603300.0 618400.0 657300.0 686000.0 696900.0 748100.0 769400.0 806300.0 925600.0 945400.0 978000.0 984100.0 989200.0 1027420.0 1097800.0 1205070.0 1275000.0 1285700.0 1381400.0 1403900.0 1538800.0 1618900.0 1645950.0 1659300.0 1837200.0 1879400.0 1889000.0 1899300.0 1972700.0 1999800.0 2011600.0 2177100.0 2230800.0 2484400.0 2754400.0 2920000.0 3191000.0 3204200.0 3239100.0 3364900.0 0.00010275887633317896 3.874515009283797e-05 0.00042956579450755135 4.2956579450755134e-06 3.116457724858706e-06 4.21142935791717e-06 1.263428807375151e-06 1.0949716330584643e-06 1.431885981691838e-06 1.802491765188549e-05 4.2956579450755134e-06 7.749030018567594e-06 2.1899432661169287e-06 1.558228862429353e-05 3.116457724858706e-06 3.7060578349671097e-06 6.569829798350785e-06 2.105714678958585e-06 1.431885981691838e-06 1.1792002202168078e-05 1.1792002202168078e-05 0.0008254401541517653 1.3476573945334946e-05 0.000842285871583434 1.1792002202168078e-05 7.159429908459189e-06 7.749030018567594e-06 2.2741718532752718e-06 5.306400990975635e-06 7.075201321300846e-06 0.00013476573945334945 1.4992688514185127e-05 2.6953147890669893e-06 5.053715229500604e-06 3.4533720734920796e-06 1.431885981691838e-06 1.1792002202168076e-06 2.526857614750302e-06 8.507087302992683e-05 4.042972183600483e-06 2.105714678958585e-06 2.3584004404336153e-06 1.4824231339868439e-05 1.3476573945334947e-06 1.6003431560085245e-06 8.422858715834341e-07 1.0949716330584643e-06 8.422858715834341e-07</parameters>
+    </source>
+    <source type="discrete" particle="electron">
+      <parameters>613000.0 738800.1 773300.1 786899.9 873600.1 977699.9 1057900.0 1113610.0 1223500.0 1493500.0 1546600.0 1675000.0 1747100.0 1966500.0 2024800.0 2089000.0 2332110.0 2359120.0 2652590.0 2692270.0 2772900.0 2950510.0 3978000.0 7.969724371709087e-07 1.032441566335041e-06 1.1773456458206606e-05 1.5214928345990077e-06 1.267910695499173e-06 2.535821390998346e-05 1.267910695499173e-06 2.1735611922842964e-05 1.3947017650490904e-05 2.227900222091404e-06 2.173561192284297e-06 2.8980815897123955e-05 1.0867805961421485e-06 9.056504967851236e-05 1.7931879836345447e-05 4.709382583282643e-06 0.00014490407948561978 2.4452563413198337e-06 0.0004890512682639667 3.622601987140494e-07 0.0006882943775566939 0.00028980815897123956 9.056504967851236e-05</parameters>
+    </source>
+  </nuclide>
+  <nuclide name="Co58" half_life="6122304.0" decay_modes="1" decay_energy="1008776.54" reactions="4">
+    <decay type="ec/beta+" target="Fe58" branching_ratio="1.0"/>
+    <source type="discrete" particle="photon">
+      <parameters>619.9594 707.9362 726.02 741.741 6349.85 6362.71 7015.36 7016.95 7070.49 7070.66 510998.9 810759.2 863951.0 1674725.0 5.276288639112756e-10 1.3715809425619083e-10 3.759818598537813e-12 1.1767757246637665e-10 8.777123989590544e-09 1.719716697150835e-08 1.057271626846154e-09 2.0783510382283326e-09 5.201844116739253e-13 7.595270495013994e-13 3.374000922877054e-08 1.1259402850084962e-07 7.768987966558623e-10 5.854889482044179e-10</parameters>
+    </source>
+    <source type="discrete" particle="positron">
+      <parameters>632864.1 1496834.0 2307600.0 1.3699223176071195e-09 1.1185811981783752e-07 8.491254034754873e-13</parameters>
+    </source>
+    <source type="discrete" particle="electron">
+      <parameters>40.23492 70.00108 628.9213 675.1537 5583.843 6258.984 6938.274 803647.2 809913.1 810759.2 856839.0 863104.9 863951.0 1667613.0 1673879.0 1674725.0 2.3068291731266982e-07 2.4528685530196402e-08 1.3309519902564132e-07 1.9030055102434398e-09 4.481805021434518e-08 1.1035282426757231e-08 6.934054278993223e-10 3.366561452175404e-11 3.231448617974384e-12 4.640000480603615e-13 1.6314869068937087e-13 1.553797593311725e-14 2.2436836794554425e-15 3.3782714575729324e-14 3.2026247731116077e-15 4.614238015862169e-16</parameters>
+    </source>
+    <reaction type="(n,2n)" Q="-8572000.0"/>
+    <reaction type="(n,gamma)" Q="10454000.0"/>
+    <reaction type="(n,p)" Q="0.0" target="Fe58"/>
+    <reaction type="(n,a)" Q="0.0"/>
+  </nuclide>
+  <nuclide name="Co60" half_life="166344200.0" decay_modes="1" decay_energy="2600613.1" reactions="0">
+    <decay type="beta-" target="Ni60" branching_ratio="1.0"/>
+    <source type="discrete" particle="photon">
+      <parameters>751.0021 852.3381 876.89 883.6421 7417.82 7435.78 8222.319 8224.59 8287.88 8288.141 347140.0 826100.0 1173228.0 1332492.0 2158570.0 2505692.0 7.0614888325101086e-15 3.3564685966506987e-15 5.761418570090495e-17 2.3600648888691433e-15 1.3290046971181013e-13 2.5954235427719607e-13 1.6253028424014347e-14 3.186921843254948e-14 1.3932264913028456e-17 2.024904561736029e-17 3.125208966828774e-13 3.1668784197198245e-13 4.160694871171375e-09 4.166220240624728e-09 5.000334346926039e-14 8.333890578210064e-17</parameters>
+    </source>
+    <source type="discrete" particle="electron">
+      <parameters>47.97734 78.78671 772.594 818.3802 6497.883 7313.626 8133.5 318151.8 1164895.0 1172220.0 1173228.0 1324159.0 1331484.0 1332492.0 1491392.0 2497359.0 2504684.0 2505692.0 2.430147074908485e-12 3.047352927658078e-13 1.6375715794161468e-12 1.653965175572544e-14 5.18885111875044e-13 1.2976030141139345e-13 8.558901456876446e-15 4.161944954758106e-09 6.241042306757062e-13 6.095415902793419e-14 8.94050113917305e-15 4.736991738545178e-13 4.616171159887578e-14 6.779692031857936e-15 5.000334346926038e-12 6.46709908869101e-21 6.3170890582832295e-22 9.678980517533168e-23</parameters>
+    </source>
+  </nuclide>
+  <nuclide name="Co61" half_life="5940.0" decay_modes="1" decay_energy="563911.34" reactions="0">
+    <decay type="beta-" target="Ni61" branching_ratio="1.0"/>
+    <source type="discrete" particle="photon">
+      <parameters>751.028 852.3382 876.89 883.6886 7417.82 7435.78 8222.319 8224.59 8287.88 8288.141 67415.0 841700.0 909200.0 7.866502846971466e-08 3.756939402646081e-08 6.436568219422988e-10 2.637348005677196e-08 1.4671031864629482e-06 2.8654120987125446e-06 1.794509040062992e-07 3.5187803327436886e-07 1.538314140492697e-10 2.235774236842793e-10 9.880497991981766e-05 9.262966867482906e-07 4.219796017408879e-06</parameters>
+    </source>
+    <source type="discrete" particle="electron">
+      <parameters>48.00067 78.83981 772.8435 818.5774 6498.158 7313.756 8133.501 59082.2 66406.9 67415.0 413499.9 833367.2 840691.9 841700.0 900867.2 908191.9 909200.0 1255285.0 2.6847340674754763e-05 3.3502043712197297e-06 1.814135374119958e-05 1.8444716489566865e-07 5.715307736044776e-06 1.430796977323619e-06 9.449890224831685e-08 1.2103610040177662e-05 1.246919266677299e-06 1.902588515965013e-07 5.134423559703298e-06 2.917834563257115e-10 2.862256762052218e-11 4.385088515066407e-12 9.241353278125446e-10 9.030363477255e-11 1.3801262380678854e-11 0.00011155702097900803</parameters>
+    </source>
+  </nuclide>
+  <nuclide name="Co62" half_life="90.0" decay_modes="1" decay_energy="3236869.0" reactions="0">
+    <decay type="beta-" target="Ni62" branching_ratio="1.0"/>
+    <source type="discrete" particle="photon">
+      <parameters>1128900.0 1172900.0 1886300.0 1985000.0 2083000.0 2097000.0 2301800.0 2345900.0 3158200.0 3271000.0 3369500.0 3519000.0 4063100.0 0.0008553051126342747 0.006430865508528381 3.2154327542641905e-05 0.00012218644466203924 2.5723462034113525e-05 7.07395205938122e-05 0.0011318323295009952 0.0001028938481364541 6.430865508528381e-05 1.1254014639924668e-05 2.8938894788377717e-05 6.430865508528381e-06 2.5723462034113525e-05</parameters>
+    </source>
+    <source type="discrete" particle="electron">
+      <parameters>1251800.0 1796100.0 1945400.0 2044800.0 2059000.0 2156900.0 2255700.0 3013160.0 4142070.0 5315000.0 2.5415396620531326e-05 0.00010782289475376927 2.9266214290308802e-05 9.318978760861486e-05 2.5415396620531326e-05 0.00018483924814931876 3.080654135821979e-05 0.0019870219176051766 0.005221708760218255 1.925408834888737e-05</parameters>
+    </source>
+  </nuclide>
+  <nuclide name="Co64" half_life="0.3" decay_modes="1" decay_energy="3469635.0" reactions="0">
+    <decay type="beta-" target="Ni64" branching_ratio="1.0"/>
+    <source type="discrete" particle="photon">
+      <parameters>931100.0 1346100.0 0.11552453009332422 0.23104906018664845</parameters>
+    </source>
+    <source type="discrete" particle="electron">
+      <parameters>5029800.0 5960900.0 7307000.0 0.11552453009332422 0.11552453009332422 2.079441541679836</parameters>
+    </source>
+  </nuclide>
+  <nuclide name="Ni57" half_life="128160.0" decay_modes="1" decay_energy="2092651.3" reactions="0">
+    <decay type="ec/beta+" branching_ratio="1.0"/>
+    <source type="discrete" particle="photon">
+      <parameters>683.2094 778.5527 799.73 813.244 6873.16 6888.41 7606.53 7608.44 7666.77 7666.98 127164.0 161860.0 304100.0 379940.0 510998.9 541900.0 673440.0 696000.0 755300.0 906980.0 1046680.0 1224000.0 1279990.0 1350520.0 1377630.0 1603280.0 1730440.0 1757550.0 1897420.0 1919520.0 2133040.0 2730910.0 2804200.0 3177280.0 1.8638833690911883e-08 6.653293496572297e-09 1.4203876186268797e-10 5.409592966721624e-09 3.0832339673226584e-07 6.028687625463321e-07 3.74301586798566e-08 7.349918311628966e-08 2.4690572137876036e-11 3.5966442331457405e-11 9.014158418349326e-07 1.2284000197554473e-09 1.0604892256881559e-10 3.6233381877678664e-09 4.684800934777033e-06 1.9884172981652923e-10 2.6556417693274235e-09 4.860575617737382e-11 2.916345370642429e-10 3.3140288302754875e-09 7.246676375535733e-09 3.402402932416167e-09 5.2140720263001e-10 1.0604892256881559e-10 4.418705107033983e-06 2.1209784513763118e-10 2.827971268501749e-09 3.110768395351924e-07 1.502359736391554e-09 6.628057660550975e-07 1.546546787461894e-09 1.0737453410092578e-09 5.30244612844078e-09 6.009438945566218e-10</parameters>
+    </source>
+    <source type="discrete" particle="positron">
+      <parameters>84790.04 154079.8 457929.9 531290.1 1129120.0 1342650.0 1504620.0 1757390.0 1884550.0 1.124957970946228e-09 3.2450710700371965e-09 1.5738594689680403e-08 1.0762819048956704e-09 1.8388736063544118e-09 6.652395693576253e-07 3.0611837094017556e-07 9.194368031772059e-07 3.488451400289987e-06</parameters>
+    </source>
+    <source type="discrete" particle="electron">
+      <parameters>43.92123 75.12743 700.3887 749.9867 6033.611 6776.5 7523.621 119455.1 126238.4 127164.0 154151.1 160934.4 161860.0 665731.1 672514.4 673440.0 747591.1 754374.4 755300.0 1216291.0 1223074.0 1224000.0 1369921.0 1376704.0 1377630.0 1749841.0 1756624.0 1757550.0 1889711.0 1896494.0 1897420.0 1911811.0 1918594.0 1919520.0 2125331.0 2132114.0 2133040.0 7.252641897852818e-06 9.885065183674125e-07 4.453862207006767e-06 5.575973168934215e-08 1.3531437967587472e-06 3.3801747364315905e-07 2.1887831296943824e-08 1.739732899248527e-08 1.7397323584033486e-09 2.636641229198142e-10 1.272622225762379e-11 1.2627950688719498e-12 1.9160584871075314e-13 9.58686478614484e-13 9.268187990163621e-14 1.4090839543995835e-14 8.632381215411233e-14 8.34074667834699e-15 1.2155339619769639e-15 3.6814000810433283e-13 3.538499049712814e-14 5.158725716665081e-15 4.21544467211042e-10 4.0607899933642303e-11 2.1687004665322787e-10 1.822910020070542e-11 1.7482517516525527e-12 6.153697369032366e-11 7.181277376570916e-14 6.8808054292926055e-15 3.195035376537882e-13 3.115187100458958e-11 2.9826259472479385e-12 1.482406852545487e-10 6.031532471101388e-14 5.768616813006974e-15 4.833646927113489e-13</parameters>
+    </source>
+  </nuclide>
+  <nuclide name="Ni58" reactions="4">
+    <reaction type="(n,2n)" Q="-12196000.0" target="Ni57"/>
+    <reaction type="(n,gamma)" Q="8999510.0" target="Ni59"/>
+    <reaction type="(n,p)" Q="402000.0" target="Co58"/>
+    <reaction type="(n,a)" Q="2901000.0" target="Fe55"/>
+  </nuclide>
+  <nuclide name="Ni59" half_life="2398380000000.0" decay_modes="1" decay_energy="6915.5689999999995" reactions="4">
+    <decay type="ec/beta+" branching_ratio="1.0"/>
+    <source type="discrete" particle="positron">
+      <parameters>1072500.0 2.890064045563861e-13</parameters>
+    </source>
+    <source type="discrete" particle="electron">
+      <parameters>44.06754 75.28693 701.5928 750.7433 6035.851 6777.615 7523.68 6.689278658453111e-13 8.913674252402247e-14 4.1657845563004787e-13 5.378516121164032e-15 1.2583954438026756e-13 3.16650156158609e-14 2.0701132819599697e-15</parameters>
+    </source>
+    <source type="discrete" particle="photon">
+      <parameters>683.3271 778.5529 799.73 813.5109 6873.16 6888.41 7606.53 7608.44 7666.77 7666.98 510998.9 1.7758787515451584e-15 6.581346326607483e-16 1.368589539770362e-17 5.248596182059754e-16 2.920762305855841e-14 5.711006429349971e-14 3.5457762265416177e-15 6.962612245690403e-15 2.338949640535961e-18 3.4071167337635547e-18 2.1386473937172572e-19</parameters>
+    </source>
+    <reaction type="(n,2n)" Q="-8997200.0" target="Ni58"/>
+    <reaction type="(n,gamma)" Q="11240000.0" target="Ni60"/>
+    <reaction type="(n,p)" Q="1584000.0"/>
+    <reaction type="(n,a)" Q="4878000.0"/>
+  </nuclide>
+  <nuclide name="Ni60" reactions="4">
+    <reaction type="(n,2n)" Q="-11389000.0" target="Ni59"/>
+    <reaction type="(n,gamma)" Q="7820050.0" target="Ni61"/>
+    <reaction type="(n,p)" Q="-2042000.0" target="Co60"/>
+    <reaction type="(n,a)" Q="1355000.0" target="Fe57"/>
+  </nuclide>
+  <nuclide name="Ni61" reactions="4">
+    <reaction type="(n,2n)" Q="-7820300.0" target="Ni60"/>
+    <reaction type="(n,gamma)" Q="10597330.0" target="Ni62"/>
+    <reaction type="(n,p)" Q="-539700.0" target="Co61"/>
+    <reaction type="(n,a)" Q="3579000.0" target="Fe58"/>
+  </nuclide>
+  <nuclide name="Ni62" reactions="4">
+    <reaction type="(n,2n)" Q="-10598000.0" target="Ni61"/>
+    <reaction type="(n,gamma)" Q="6837910.0" target="Ni63"/>
+    <reaction type="(n,p)" Q="-4459000.0" target="Co62"/>
+    <reaction type="(n,a)" Q="-437400.0" target="Fe59"/>
+  </nuclide>
+  <nuclide name="Ni63" half_life="3193630000.0" decay_modes="1" decay_energy="17425.0" reactions="0">
+    <decay type="beta-" branching_ratio="1.0"/>
+    <source type="discrete" particle="electron">
+      <parameters>66945.0 2.1704054025041888e-10</parameters>
+    </source>
+  </nuclide>
+  <nuclide name="Ni64" reactions="4">
+    <reaction type="(n,2n)" Q="-9657000.0" target="Ni63"/>
+    <reaction type="(n,gamma)" Q="6098061.0" target="Ni65"/>
+    <reaction type="(n,p)" Q="-6524000.0" target="Co64"/>
+    <reaction type="(n,a)" Q="-2442000.0" target="Fe61"/>
+  </nuclide>
+  <nuclide name="Ni65" half_life="9061.884" decay_modes="1" decay_energy="1186322.7999999998" reactions="0">
+    <decay type="beta-" branching_ratio="1.0"/>
+    <source type="discrete" particle="photon">
+      <parameters>820.0389 927.6652 951.42 959.5527 7984.67 8005.709 8862.7 8865.34 8933.11 8933.4 366270.0 507900.0 609500.0 770600.0 852700.0 954500.0 1115530.0 1481840.0 1623420.0 1724920.0 6.930967733828076e-11 4.4848940639261224e-11 6.225110448569713e-13 3.0091057755445835e-11 1.4120610720530457e-09 2.7533685191404717e-09 1.7112326402414573e-10 3.3482649978514024e-10 1.9318959861680173e-13 2.7929997279698636e-13 3.6755804457910027e-06 2.2374667416695354e-07 1.181887674027053e-07 7.92135402897521e-08 7.398075516810562e-08 1.3533064969775417e-09 1.1800832653644161e-05 1.804408662636722e-05 3.807302278163484e-07 3.0494506398560603e-07</parameters>
+    </source>
+    <source type="discrete" particle="electron">
+      <parameters>56.92597 90.91714 855.942 897.216 6991.356 7880.445 8773.007 357291.1 365173.4 366270.0 412919.9 498921.1 506803.4 507900.0 514460.0 600521.1 608403.4 609500.0 656069.9 761621.1 769503.4 770600.0 1022350.0 1106551.0 1114434.0 1115530.0 1472861.0 1480743.0 1481840.0 1614441.0 1622324.0 1623420.0 1715941.0 1723824.0 1724920.0 2137900.0 2.167548391930537e-08 2.8616659297729836e-09 1.5876524466163717e-08 5.919283450210211e-11 4.8238674145478966e-09 1.1910611683428657e-09 8.251524863747208e-11 6.6528004309537836e-09 6.652800430953784e-10 9.941708721258623e-11 4.2452174979371803e-07 1.968970885650002e-10 1.9600207433178643e-11 2.840463936760989e-12 6.807646077773136e-07 6.748578656939676e-11 6.701302996997783e-12 9.996408692926368e-13 2.172327512457944e-05 2.732867560693677e-11 2.7011821751739386e-12 4.0351373644973695e-13 7.786723266486576e-06 1.953037934211798e-09 1.9247158318161006e-10 3.950919133474779e-11 1.818843931937816e-09 1.7899733933356285e-10 1.4705028396157966e-09 3.076300301948419e-11 3.022997962967563e-12 4.574485034565062e-11 2.213900812679635e-11 2.1742581302894385e-12 5.0020380532292804e-11 4.589424322094249e-05</parameters>
+    </source>
+  </nuclide>
+</depletion_chain>
diff --git a/tests/regression_tests/surface_source/test.py b/tests/regression_tests/surface_source/test.py
index 251e9e9ad..83b78e61d 100644
--- a/tests/regression_tests/surface_source/test.py
+++ b/tests/regression_tests/surface_source/test.py
@@ -10,6 +10,17 @@ from tests.testing_harness import PyAPITestHarness
 from tests.regression_tests import config
 
 
+def assert_structured_arrays_close(arr1, arr2, rtol=1e-5, atol=1e-8):
+    assert arr1.dtype == arr2.dtype
+
+    for field in arr1.dtype.names:
+        data1, data2 = arr1[field], arr2[field]
+        if data1.dtype.names:
+            assert_structured_arrays_close(data1, data2, rtol=rtol, atol=atol)
+        else:
+            np.testing.assert_allclose(data1, data2, rtol=rtol, atol=atol)
+
+
 @pytest.fixture
 def model(request):
     openmc.reset_auto_ids()
@@ -76,16 +87,10 @@ class SurfaceSourceTestHarness(PyAPITestHarness):
         """Make sure the current surface_source.h5 agree with the reference."""
         if self._model.settings.surf_source_write:
             with h5py.File("surface_source_true.h5", 'r') as f:
-                source_true = f['source_bank'][()]
-                # Convert dtye from mixed to a float for comparison assertion
-                source_true.dtype = 'float64'
+                source_true = np.sort(f['source_bank'][()])
             with h5py.File("surface_source.h5", 'r') as f:
-                source_test = f['source_bank'][()]
-                # Convert dtye from mixed to a float for comparison assertion
-                source_test.dtype = 'float64'
-            np.testing.assert_allclose(np.sort(source_true),
-                                       np.sort(source_test),
-                                       atol=1e-07)
+                source_test = np.sort(f['source_bank'][()])
+            assert_structured_arrays_close(source_true, source_test, atol=1e-07)
 
     def execute_test(self):
         """Build input XMLs, run OpenMC, check output and results."""
@@ -132,4 +137,4 @@ def test_surface_source_read(model):
     harness = SurfaceSourceTestHarness('statepoint.10.h5',
                                        model,
                                        'inputs_true_read.dat')
-    harness.main()
\ No newline at end of file
+    harness.main()
diff --git a/tests/unit_tests/test_d1s.py b/tests/unit_tests/test_d1s.py
new file mode 100644
index 000000000..7c92dd6d9
--- /dev/null
+++ b/tests/unit_tests/test_d1s.py
@@ -0,0 +1,132 @@
+from pathlib import Path
+from math import exp
+
+import numpy as np
+import pytest
+import openmc
+import openmc.deplete
+from openmc.deplete import d1s
+
+
+CHAIN_PATH = Path(__file__).parents[1] / "chain_ni.xml"
+
+
+@pytest.fixture
+def model():
+    """Simple model with natural Ni"""
+    mat = openmc.Material()
+    mat.add_element('Ni', 1.0)
+    geom = openmc.Geometry([openmc.Cell(fill=mat)])
+    return openmc.Model(geometry=geom)
+
+
+def test_get_radionuclides(model):
+    # Check that radionuclides are correct and are unstable
+    nuclides = d1s.get_radionuclides(model, CHAIN_PATH)
+    assert sorted(nuclides) == [
+        'Co58', 'Co60', 'Co61', 'Co62', 'Co64',
+        'Fe55', 'Fe59', 'Fe61', 'Ni57', 'Ni59', 'Ni63', 'Ni65'
+    ]
+    for nuc in nuclides:
+        assert openmc.data.half_life(nuc) is not None
+
+
+@pytest.mark.parametrize("nuclide", ['Co60', 'Ni63', 'H3', 'Na24', 'K40'])
+def test_time_correction_factors(nuclide):
+    # Irradiation schedule turning unit neutron source on and off
+    timesteps = [1.0, 1.0, 1.0]
+    source_rates = [1.0, 0.0, 1.0]
+
+    # Compute expected solution
+    decay_rate = openmc.data.decay_constant(nuclide)
+    g = exp(-decay_rate)
+    expected = [0.0, (1 - g), (1 - g)*g, (1 - g)*(1 + g*g)]
+
+    # Test against expected solution
+    tcf = d1s.time_correction_factors([nuclide], timesteps, source_rates)
+    assert tcf[nuclide] == pytest.approx(expected)
+
+    # Make sure all values at first timestep and onward are positive (K40 case
+    # has very small decay constant that stresses this)
+    assert np.all(tcf[nuclide][1:] > 0.0)
+
+    # Timesteps as a tuple
+    timesteps = [(1.0, 's'), (1.0, 's'), (1.0, 's')]
+    tcf = d1s.time_correction_factors([nuclide], timesteps, source_rates)
+    assert tcf[nuclide] == pytest.approx(expected)
+
+    # Test changing units
+    timesteps = [1.0/60.0, 1.0/60.0, 1.0/60.0]
+    tcf = d1s.time_correction_factors([nuclide], timesteps, source_rates,
+                                      timestep_units='min')
+    assert tcf[nuclide] == pytest.approx(expected)
+
+
+def test_prepare_tallies(model):
+    tally = openmc.Tally()
+    tally.filters = [openmc.ParticleFilter('photon')]
+    tally.scores = ['flux']
+    model.tallies = [tally]
+
+    # Check that prepare_tallies adds a ParentNuclideFilter
+    nuclides = ['Co58', 'Co60', 'Fe55']
+    d1s.prepare_tallies(model, nuclides, chain_file=CHAIN_PATH)
+    assert tally.contains_filter(openmc.ParentNuclideFilter)
+    assert list(tally.filters[-1].bins) == nuclides
+
+    # Get rid of parent nuclide filter
+    tally.filters.pop()
+
+    # With no nuclides specified, filter should use get_radionuclides
+    radionuclides = d1s.get_radionuclides(model, CHAIN_PATH)
+    d1s.prepare_tallies(model, chain_file=CHAIN_PATH)
+    assert tally.contains_filter(openmc.ParentNuclideFilter)
+    assert sorted(tally.filters[-1].bins) == sorted(radionuclides)
+
+
+def test_apply_time_correction(run_in_tmpdir):
+    # Make simple sphere model with elemental Ni
+    mat = openmc.Material()
+    mat.add_element('Ni', 1.0)
+    sphere = openmc.Sphere(r=10.0, boundary_type='vacuum')
+    cell = openmc.Cell(fill=mat, region=-sphere)
+    model = openmc.Model()
+    model.geometry = openmc.Geometry([cell])
+    model.settings.run_mode = 'fixed source'
+    model.settings.batches = 3
+    model.settings.particles = 10
+    model.settings.photon_transport = True
+    model.settings.use_decay_photons = True
+    particle_filter = openmc.ParticleFilter('photon')
+    tally = openmc.Tally()
+    tally.filters = [particle_filter]
+    tally.scores = ['flux']
+    model.tallies = [tally]
+
+    # Prepare tallies for D1S and compute time correction factors
+    nuclides = d1s.prepare_tallies(model, chain_file=CHAIN_PATH)
+    factors = d1s.time_correction_factors(nuclides, [1.0e10], [1.0])
+
+    # Run OpenMC and get tally result
+    with openmc.config.patch('chain_file', CHAIN_PATH):
+        output_path = model.run()
+    with openmc.StatePoint(output_path) as sp:
+        tally = sp.tallies[tally.id]
+        flux = tally.mean.flatten()
+
+    # Apply TCF and make sure results are consistent
+    result = d1s.apply_time_correction(tally, factors, sum_nuclides=False)
+    tcf = np.array([factors[nuc][-1] for nuc in nuclides])
+    assert result.mean.flatten() == pytest.approx(tcf * flux)
+
+    # Make sure summed results match a manual sum
+    result_summed = d1s.apply_time_correction(tally, factors)
+    assert result_summed.mean.flatten()[0] == pytest.approx(result.mean.sum())
+
+    # Make sure various tally methods work
+    result.get_values()
+    result_summed.get_values()
+    result.get_reshaped_data()
+    result_summed.get_reshaped_data()
+    result.get_pandas_dataframe()
+    result_summed.get_pandas_dataframe()

From 6ae2001400c19a62c2a9e33a26dc6757818d61ff Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 21 Feb 2025 14:58:37 -0600
Subject: [PATCH 2251/2654] Enable overlap plotting from Python API (#3310)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/model/model.py          |  5 +++++
 openmc/plots.py                | 13 +++++++++----
 tests/unit_tests/test_model.py | 11 +++++++++++
 3 files changed, 25 insertions(+), 4 deletions(-)

diff --git a/openmc/model/model.py b/openmc/model/model.py
index c7f358ce8..e8558f4ad 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -863,6 +863,8 @@ class Model:
         legend: bool = False,
         axis_units: str = 'cm',
         outline: bool | str = False,
+        show_overlaps: bool = False,
+        overlap_color: Sequence[int] | str | None = None,
         n_samples: int | None = None,
         plane_tolerance: float = 1.,
         legend_kwargs: dict | None = None,
@@ -941,6 +943,9 @@ class Model:
             plot.pixels = pixels
             plot.basis = basis
             plot.color_by = color_by
+            plot.show_overlaps = show_overlaps
+            if overlap_color is not None:
+                plot.overlap_color = overlap_color
             if colors is not None:
                 plot.colors = colors
             self.plots.append(plot)
diff --git a/openmc/plots.py b/openmc/plots.py
index 246076598..9c1e31575 100644
--- a/openmc/plots.py
+++ b/openmc/plots.py
@@ -209,16 +209,21 @@ _PLOT_PARAMS = """
         legend : bool
             Whether a legend showing material or cell names should be drawn
 
+            .. versionadded:: 0.14.0
+        axis_units : {'km', 'm', 'cm', 'mm'}
+            Units used on the plot axis
+
             .. versionadded:: 0.14.0
         outline : bool or str
             Whether outlines between color boundaries should be drawn. If set to
             'only', only outlines will be drawn.
 
             .. versionadded:: 0.14.0
-        axis_units : {'km', 'm', 'cm', 'mm'}
-            Units used on the plot axis
-
-            .. versionadded:: 0.14.0
+        show_overlaps: bool
+            Indicate whether or not overlapping regions are shown.
+            Default is False.
+        overlap_color: Iterable of int or str
+            Color to apply to overlapping regions. Default is red.
         n_samples : int, optional
             The number of source particles to sample and add to plot. Defaults
             to None which doesn't plot any particles on the plot.
diff --git a/tests/unit_tests/test_model.py b/tests/unit_tests/test_model.py
index 4d7d5be2b..ee5d8895c 100644
--- a/tests/unit_tests/test_model.py
+++ b/tests/unit_tests/test_model.py
@@ -638,3 +638,14 @@ def test_model_plot():
     plot = model.plot(n_samples=1, plane_tolerance=0.1, basis="xy")
     coords = plot.axes.collections[0].get_offsets().data.flatten()
     assert (coords == np.array([])).all()
+
+    # modify model to include another cell that overlaps the original cell entirely
+    model.geometry.root_universe.add_cell(openmc.Cell(region=-surface))
+    axes = model.plot(show_overlaps=True)
+    white = np.array((1.0, 1.0, 1.0))
+    red = np.array((1.0, 0.0, 0.0))
+    axes_image = axes.get_images()[0]
+    image_data = axes_image.get_array()
+    # ensure that all of the data in the image data is either white or red
+    test_mask = (image_data == white) | (image_data == red)
+    assert np.all(test_mask), "Colors other than white or red found in overlap plot image"

From fefe825e65a46d67f39a985d4b40ec7828d00711 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 21 Feb 2025 17:44:09 -0600
Subject: [PATCH 2252/2654] Handle reflex angles in CylinderSector (#3303)

---
 openmc/model/surface_composite.py          | 18 ++++++++++--------
 tests/unit_tests/test_surface_composite.py | 13 +++++++++++++
 2 files changed, 23 insertions(+), 8 deletions(-)

diff --git a/openmc/model/surface_composite.py b/openmc/model/surface_composite.py
index 3a17b6169..5962897de 100644
--- a/openmc/model/surface_composite.py
+++ b/openmc/model/surface_composite.py
@@ -135,6 +135,11 @@ class CylinderSector(CompositeSurface):
         if theta2 <= theta1:
             raise ValueError('theta2 must be greater than theta1.')
 
+        # Determine whether the angle between theta1 and theta2 is a reflex
+        # angle, in which case we need to use a union between the planar
+        # half-spaces
+        self._reflex = (theta2 - theta1 > 180.0)
+
         phi1 = pi / 180 * theta1
         phi2 = pi / 180 * theta2
 
@@ -169,6 +174,9 @@ class CylinderSector(CompositeSurface):
                                                **kwargs)
         self.plane2 = openmc.Plane.from_points(p1, p2_plane2, p3_plane2,
                                                **kwargs)
+        if axis == 'y':
+            self.plane1.flip_normal()
+            self.plane2.flip_normal()
 
     @classmethod
     def from_theta_alpha(cls,
@@ -223,17 +231,11 @@ class CylinderSector(CompositeSurface):
         return cls(r1, r2, theta1, theta2, center=center, axis=axis, **kwargs)
 
     def __neg__(self):
-        if isinstance(self.inner_cyl, openmc.YCylinder):
-            return -self.outer_cyl & +self.inner_cyl & +self.plane1 & -self.plane2
+        if self._reflex:
+            return -self.outer_cyl & +self.inner_cyl & (-self.plane1 | +self.plane2)
         else:
             return -self.outer_cyl & +self.inner_cyl & -self.plane1 & +self.plane2
 
-    def __pos__(self):
-        if isinstance(self.inner_cyl, openmc.YCylinder):
-            return +self.outer_cyl | -self.inner_cyl | -self.plane1 | +self.plane2
-        else:
-            return +self.outer_cyl | -self.inner_cyl | +self.plane1 | -self.plane2
-
 
 class IsogonalOctagon(CompositeSurface):
     r"""Infinite isogonal octagon composite surface
diff --git a/tests/unit_tests/test_surface_composite.py b/tests/unit_tests/test_surface_composite.py
index da7ffbcc4..a04fc73c5 100644
--- a/tests/unit_tests/test_surface_composite.py
+++ b/tests/unit_tests/test_surface_composite.py
@@ -207,6 +207,19 @@ def test_cylinder_sector(axis, indices, center):
     assert point_neg[indices] in -s
     assert point_neg[indices] not in +s
 
+    # Check __contains__ for sector with reflex angle
+    s_reflex = openmc.model.CylinderSector(
+        r1, r2, 0., 270., center=center, axis=axis.lower())
+    points = [
+        np.array([c1 + r1 + d, c2 + 0.01, 0.]),
+        np.array([c1, c2 + r1 + d, 0.]),
+        np.array([c1 - r1 - d, c2, 0.]),
+        np.array([c1 - 0.01, c2 - r1 - d, 0.])
+    ]
+    for point_neg in points:
+        assert point_neg[indices] in -s_reflex
+        assert point_neg[indices] not in +s_reflex
+
     # translate method
     t = uniform(-5.0, 5.0)
     s_t = s.translate((t, t, t))

From a2a5c2af19c21094215aaaaba2b66924a5fe7bd7 Mon Sep 17 00:00:00 2001
From: Ahnaf Tahmid Chowdhury <ahnaf-tahmid@outlook.com>
Date: Sat, 22 Feb 2025 05:48:11 +0600
Subject: [PATCH 2253/2654] Add Versioning Support from `version.txt` (#3140)

Co-authored-by: Jonathan Shimwell <mail@jshimwell.com>
Co-authored-by: Paul Wilson <paul.wilson@wisc.edu>
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 .git_archival.txt                     |   3 +
 .gitattributes                        |   1 +
 .github/workflows/ci.yml              |   5 +-
 CMakeLists.txt                        |  34 +++-----
 cmake/Modules/GetVersionFromGit.cmake | 109 ++++++++++++++++++++++++++
 docs/source/conf.py                   |   8 +-
 include/openmc/version.h.in           |   6 +-
 pyproject.toml                        |   6 +-
 src/mcpl_interface.cpp                |   4 +-
 src/output.cpp                        |  21 +++--
 10 files changed, 153 insertions(+), 44 deletions(-)
 create mode 100644 .git_archival.txt
 create mode 100644 .gitattributes
 create mode 100644 cmake/Modules/GetVersionFromGit.cmake

diff --git a/.git_archival.txt b/.git_archival.txt
new file mode 100644
index 000000000..f2f118c0d
--- /dev/null
+++ b/.git_archival.txt
@@ -0,0 +1,3 @@
+commit: $Format:%H$
+commit-date: $Format:%cI$
+describe-name: $Format:%(describe:tags=true,match=*[0-9]*)$
\ No newline at end of file
diff --git a/.gitattributes b/.gitattributes
new file mode 100644
index 000000000..82bf71c1c
--- /dev/null
+++ b/.gitattributes
@@ -0,0 +1 @@
+.git_archival.txt  export-subst
\ No newline at end of file
diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index de99bbbe2..7fe3e1557 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -87,9 +87,10 @@ jobs:
       RDMAV_FORK_SAFE: 1
 
     steps:
-      - uses: actions/checkout@v4
+      - name: Checkout repository
+        uses: actions/checkout@v4
         with:
-          fetch-depth: 2
+          fetch-depth: 0
 
       - name: Set up Python ${{ matrix.python-version }}
         uses: actions/setup-python@v5
diff --git a/CMakeLists.txt b/CMakeLists.txt
index f76fcb247..385ce85aa 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -1,11 +1,18 @@
 cmake_minimum_required(VERSION 3.16 FATAL_ERROR)
 project(openmc C CXX)
 
-# Set version numbers
-set(OPENMC_VERSION_MAJOR 0)
-set(OPENMC_VERSION_MINOR 15)
-set(OPENMC_VERSION_RELEASE 1)
-set(OPENMC_VERSION ${OPENMC_VERSION_MAJOR}.${OPENMC_VERSION_MINOR}.${OPENMC_VERSION_RELEASE})
+# Set module path
+set(CMAKE_MODULE_PATH ${CMAKE_CURRENT_SOURCE_DIR}/cmake/Modules)
+
+include(GetVersionFromGit)
+
+# Output version information
+message(STATUS "OpenMC version: ${OPENMC_VERSION}")
+message(STATUS "OpenMC dev state: ${OPENMC_DEV_STATE}")
+message(STATUS "OpenMC commit hash: ${OPENMC_COMMIT_HASH}")
+message(STATUS "OpenMC commit count: ${OPENMC_COMMIT_COUNT}")
+
+# Generate version.h
 configure_file(include/openmc/version.h.in "${CMAKE_BINARY_DIR}/include/openmc/version.h" @ONLY)
 
 # Setup output directories
@@ -13,9 +20,6 @@ set(CMAKE_ARCHIVE_OUTPUT_DIRECTORY ${CMAKE_BINARY_DIR}/lib)
 set(CMAKE_LIBRARY_OUTPUT_DIRECTORY ${CMAKE_BINARY_DIR}/lib)
 set(CMAKE_RUNTIME_OUTPUT_DIRECTORY ${CMAKE_BINARY_DIR}/bin)
 
-# Set module path
-set(CMAKE_MODULE_PATH ${CMAKE_CURRENT_SOURCE_DIR}/cmake/Modules)
-
 # Enable correct usage of CXX_EXTENSIONS
 if (CMAKE_VERSION VERSION_GREATER_EQUAL 3.22)
   cmake_policy(SET CMP0128 NEW)
@@ -240,8 +244,6 @@ endif()
 #===============================================================================
 # Update git submodules as needed
 #===============================================================================
-
-find_package(Git)
 if(GIT_FOUND AND EXISTS "${CMAKE_CURRENT_SOURCE_DIR}/.git")
   option(GIT_SUBMODULE "Check submodules during build" ON)
   if(GIT_SUBMODULE)
@@ -493,18 +495,6 @@ if (OPENMC_USE_MPI)
   target_compile_definitions(libopenmc PUBLIC -DOPENMC_MPI)
 endif()
 
-# Set git SHA1 hash as a compile definition
-if(GIT_FOUND)
-  execute_process(COMMAND ${GIT_EXECUTABLE} rev-parse HEAD
-                  WORKING_DIRECTORY ${CMAKE_CURRENT_SOURCE_DIR}
-                  RESULT_VARIABLE GIT_SHA1_SUCCESS
-                  OUTPUT_VARIABLE GIT_SHA1
-                  ERROR_QUIET OUTPUT_STRIP_TRAILING_WHITESPACE)
-  if(GIT_SHA1_SUCCESS EQUAL 0)
-    target_compile_definitions(libopenmc PRIVATE -DGIT_SHA1="${GIT_SHA1}")
-  endif()
-endif()
-
 # target_link_libraries treats any arguments starting with - but not -l as
 # linker flags. Thus, we can pass both linker flags and libraries together.
 target_link_libraries(libopenmc ${ldflags} ${HDF5_LIBRARIES} ${HDF5_HL_LIBRARIES}
diff --git a/cmake/Modules/GetVersionFromGit.cmake b/cmake/Modules/GetVersionFromGit.cmake
new file mode 100644
index 000000000..ee6bac827
--- /dev/null
+++ b/cmake/Modules/GetVersionFromGit.cmake
@@ -0,0 +1,109 @@
+# GetVersionFromGit.cmake
+# Standalone script to retrieve versioning information from Git or .git_archival.txt.
+# Customizable for any project by setting variables before including this file.
+
+# Configurable variables:
+#   - VERSION_PREFIX: Prefix for version tags (default: "v").
+#   - VERSION_SUFFIX: Suffix for version tags (default: "[~+-]([a-zA-Z0-9]+)").
+#   - VERSION_REGEX: Regex to extract version (default: "(?[0-9]+\\.[0-9]+\\.[0-9]+)").
+#   - ARCHIVAL_FILE: Path to .git_archival.txt (default: "${CMAKE_SOURCE_DIR}/.git_archival.txt").
+#   - DESCRIBE_NAME_KEY: Key for describe name in .git_archival.txt (default: "describe-name: ").
+#   - COMMIT_HASH_KEY: Key for commit hash in .git_archival.txt (default: "commit: ").
+
+# Default Format Example:
+#   1.2.3 v1.2.3 v1.2.3-rc1
+
+set(VERSION_PREFIX "v" CACHE STRING "Prefix used in version tags")
+set(VERSION_SUFFIX "[~+-]([a-zA-Z0-9]+)" CACHE STRING "Suffix used in version tags")
+set(VERSION_REGEX "?([0-9]+\\.[0-9]+\\.[0-9]+)" CACHE STRING "Regex for extracting version")
+set(ARCHIVAL_FILE "${CMAKE_SOURCE_DIR}/.git_archival.txt" CACHE STRING "Path to .git_archival.txt")
+set(DESCRIBE_NAME_KEY "describe-name: " CACHE STRING "Key for describe name in .git_archival.txt")
+set(COMMIT_HASH_KEY "commit: " CACHE STRING "Key for commit hash in .git_archival.txt")
+
+
+# Combine prefix and regex
+set(VERSION_REGEX_WITH_PREFIX "^${VERSION_PREFIX}${VERSION_REGEX}")
+
+# Find Git
+find_package(Git)
+
+# Attempt to retrieve version from Git
+if(EXISTS "${CMAKE_SOURCE_DIR}/.git" AND GIT_FOUND)
+    message(STATUS "Using git describe for versioning")
+
+    # Extract the version string
+    execute_process(
+        COMMAND git describe --tags --dirty
+        WORKING_DIRECTORY ${CMAKE_SOURCE_DIR}
+        OUTPUT_VARIABLE VERSION_STRING
+        OUTPUT_STRIP_TRAILING_WHITESPACE
+    )
+
+    # Extract the commit hash
+    execute_process(
+        COMMAND git rev-parse HEAD
+        WORKING_DIRECTORY ${CMAKE_SOURCE_DIR}
+        OUTPUT_VARIABLE COMMIT_HASH
+        OUTPUT_STRIP_TRAILING_WHITESPACE
+    )
+else()
+    message(STATUS "Using archival file for versioning: ${ARCHIVAL_FILE}")
+    if(EXISTS "${ARCHIVAL_FILE}")
+        file(READ "${ARCHIVAL_FILE}" ARCHIVAL_CONTENT)
+
+        # Extract the describe-name line
+        string(REGEX MATCH "${DESCRIBE_NAME_KEY}([^\\n]+)" VERSION_STRING "${ARCHIVAL_CONTENT}")
+        if(VERSION_STRING MATCHES "${DESCRIBE_NAME_KEY}(.*)")
+            set(VERSION_STRING "${CMAKE_MATCH_1}")
+        else()
+            message(FATAL_ERROR "Could not extract version from ${ARCHIVAL_FILE}")
+        endif()
+
+        # Extract the commit hash
+        string(REGEX MATCH "${COMMIT_HASH_KEY}([a-f0-9]+)" COMMIT_HASH "${ARCHIVAL_CONTENT}")
+        if(COMMIT_HASH MATCHES "${COMMIT_HASH_KEY}([a-f0-9]+)")
+            set(COMMIT_HASH "${CMAKE_MATCH_1}")
+        else()
+            message(FATAL_ERROR "Could not extract commit hash from ${ARCHIVAL_FILE}")
+        endif()
+    else()
+        message(FATAL_ERROR "Neither git describe nor ${ARCHIVAL_FILE} is available for versioning.")
+    endif()
+endif()
+
+# Ensure version string format
+if(VERSION_STRING MATCHES "${VERSION_REGEX_WITH_PREFIX}")
+    set(VERSION_NO_SUFFIX "${CMAKE_MATCH_1}")
+else()
+    message(FATAL_ERROR "Invalid version format: Missing base version in ${VERSION_STRING}")
+endif()
+
+# Check for development state
+if(VERSION_STRING MATCHES "-([0-9]+)-g([0-9a-f]+)")
+    set(DEV_STATE "true")
+    set(COMMIT_COUNT "${CMAKE_MATCH_1}")
+    string(REGEX REPLACE "-([0-9]+)-g([0-9a-f]+)" "" VERSION_WITHOUT_META "${VERSION_STRING}")
+else()
+    set(DEV_STATE "false")
+    set(VERSION_WITHOUT_META "${VERSION_STRING}")
+endif()
+
+# Split and set version components
+string(REPLACE "." ";" VERSION_LIST "${VERSION_NO_SUFFIX}")
+list(GET VERSION_LIST 0 VERSION_MAJOR)
+list(GET VERSION_LIST 1 VERSION_MINOR)
+list(GET VERSION_LIST 2 VERSION_PATCH)
+
+# Increment patch number for dev versions
+if(DEV_STATE)
+    math(EXPR VERSION_PATCH "${VERSION_PATCH} + 1")
+endif()
+
+# Export variables
+set(OPENMC_VERSION_MAJOR "${VERSION_MAJOR}")
+set(OPENMC_VERSION_MINOR "${VERSION_MINOR}")
+set(OPENMC_VERSION_PATCH "${VERSION_PATCH}")
+set(OPENMC_VERSION "${VERSION_MAJOR}.${VERSION_MINOR}.${VERSION_PATCH}")
+set(OPENMC_COMMIT_HASH "${COMMIT_HASH}")
+set(OPENMC_DEV_STATE "${DEV_STATE}")
+set(OPENMC_COMMIT_COUNT "${COMMIT_COUNT}")
diff --git a/docs/source/conf.py b/docs/source/conf.py
index 60bd406fb..b9db83507 100644
--- a/docs/source/conf.py
+++ b/docs/source/conf.py
@@ -68,10 +68,14 @@ copyright = '2011-2024, Massachusetts Institute of Technology, UChicago Argonne
 # |version| and |release|, also used in various other places throughout the
 # built documents.
 #
+
+import openmc
+
 # The short X.Y version.
-version = "0.15"
+version = ".".join(openmc.__version__.split('.')[:2])
+
 # The full version, including alpha/beta/rc tags.
-release = "0.15.1-dev"
+release = openmc.__version__
 
 # The language for content autogenerated by Sphinx. Refer to documentation
 # for a list of supported languages.
diff --git a/include/openmc/version.h.in b/include/openmc/version.h.in
index e1c2b0541..6dfc7c7dd 100644
--- a/include/openmc/version.h.in
+++ b/include/openmc/version.h.in
@@ -9,8 +9,10 @@ namespace openmc {
 // clang-format off
 constexpr int VERSION_MAJOR {@OPENMC_VERSION_MAJOR@};
 constexpr int VERSION_MINOR {@OPENMC_VERSION_MINOR@};
-constexpr int VERSION_RELEASE {@OPENMC_VERSION_RELEASE@};
-constexpr bool VERSION_DEV {true};
+constexpr int VERSION_RELEASE {@OPENMC_VERSION_PATCH@};
+constexpr bool VERSION_DEV {@OPENMC_DEV_STATE@};
+constexpr const char* VERSION_COMMIT_COUNT = "@OPENMC_COMMIT_COUNT@";
+constexpr const char* VERSION_COMMIT_HASH = "@OPENMC_COMMIT_HASH@";
 constexpr std::array<int, 3> VERSION {VERSION_MAJOR, VERSION_MINOR, VERSION_RELEASE};
 // clang-format on
 
diff --git a/pyproject.toml b/pyproject.toml
index 1f8de10e3..6e8ed798e 100644
--- a/pyproject.toml
+++ b/pyproject.toml
@@ -1,5 +1,5 @@
 [build-system]
-requires = ["setuptools", "wheel"]
+requires = ["setuptools", "setuptools-scm", "wheel"]
 build-backend = "setuptools.build_meta"
 
 [project]
@@ -8,7 +8,7 @@ authors = [
     {name = "The OpenMC Development Team", email = "openmc@anl.gov"},
 ]
 description = "OpenMC"
-version = "0.15.1-dev"
+dynamic = ["version"]
 requires-python = ">=3.11"
 license = {file = "LICENSE"}
 classifiers = [
@@ -66,3 +66,5 @@ exclude = ['tests*']
 "openmc.data.effective_dose" = ["**/*.txt"]
 "openmc.data" = ["*.txt", "*.DAT", "*.json", "*.h5"]
 "openmc.lib" = ["libopenmc.dylib", "libopenmc.so"]
+
+[tool.setuptools_scm]
diff --git a/src/mcpl_interface.cpp b/src/mcpl_interface.cpp
index a8de5fdb0..83ef63320 100644
--- a/src/mcpl_interface.cpp
+++ b/src/mcpl_interface.cpp
@@ -207,8 +207,8 @@ void write_mcpl_source_point(const char* filename, span<SourceSite> source_bank,
   if (mpi::master) {
     file_id = mcpl_create_outfile(filename_.c_str());
     if (VERSION_DEV) {
-      line = fmt::format("OpenMC {0}.{1}.{2}-development", VERSION_MAJOR,
-        VERSION_MINOR, VERSION_RELEASE);
+      line = fmt::format("OpenMC {0}.{1}.{2}-dev{3}", VERSION_MAJOR,
+        VERSION_MINOR, VERSION_RELEASE, VERSION_COMMIT_COUNT);
     } else {
       line = fmt::format(
         "OpenMC {0}.{1}.{2}", VERSION_MAJOR, VERSION_MINOR, VERSION_RELEASE);
diff --git a/src/output.cpp b/src/output.cpp
index 8494450c4..63e7fe553 100644
--- a/src/output.cpp
+++ b/src/output.cpp
@@ -75,13 +75,12 @@ void title()
   // Write version information
   fmt::print(
     "                 | The OpenMC Monte Carlo Code\n"
-    "       Copyright | 2011-2024 MIT, UChicago Argonne LLC, and contributors\n"
+    "       Copyright | 2011-2025 MIT, UChicago Argonne LLC, and contributors\n"
     "         License | https://docs.openmc.org/en/latest/license.html\n"
-    "         Version | {}.{}.{}{}\n",
-    VERSION_MAJOR, VERSION_MINOR, VERSION_RELEASE, VERSION_DEV ? "-dev" : "");
-#ifdef GIT_SHA1
-  fmt::print("        Git SHA1 | {}\n", GIT_SHA1);
-#endif
+    "         Version | {}.{}.{}{}{}\n",
+    VERSION_MAJOR, VERSION_MINOR, VERSION_RELEASE, VERSION_DEV ? "-dev" : "",
+    VERSION_COMMIT_COUNT);
+  fmt::print("     Commit Hash | {}\n", VERSION_COMMIT_HASH);
 
   // Write the date and time
   fmt::print("       Date/Time | {}\n", time_stamp());
@@ -291,12 +290,10 @@ void print_usage()
 void print_version()
 {
   if (mpi::master) {
-    fmt::print("OpenMC version {}.{}.{}\n", VERSION_MAJOR, VERSION_MINOR,
-      VERSION_RELEASE);
-#ifdef GIT_SHA1
-    fmt::print("Git SHA1: {}\n", GIT_SHA1);
-#endif
-    fmt::print("Copyright (c) 2011-2024 MIT, UChicago Argonne LLC, and "
+    fmt::print("OpenMC version {}.{}.{}{}{}\n", VERSION_MAJOR, VERSION_MINOR,
+      VERSION_RELEASE, VERSION_DEV ? "-dev" : "", VERSION_COMMIT_COUNT);
+    fmt::print("Commit hash: {}\n", VERSION_COMMIT_HASH);
+    fmt::print("Copyright (c) 2011-2025 MIT, UChicago Argonne LLC, and "
                "contributors\nMIT/X license at "
                "<https://docs.openmc.org/en/latest/license.html>\n");
   }

From 53066768deb4ca809be34c27f9cd9b7cf281a748 Mon Sep 17 00:00:00 2001
From: John Tramm <john.tramm@gmail.com>
Date: Mon, 24 Feb 2025 09:49:51 -0600
Subject: [PATCH 2254/2654] Random Ray Void Accuracy Fix (#3316)

---
 src/random_ray/flat_source_domain.cpp                  | 10 ++++------
 src/random_ray/linear_source_domain.cpp                |  3 +--
 src/random_ray/random_ray.cpp                          |  1 +
 .../random_ray_void/flat/results_true.dat              |  4 ++--
 .../random_ray_void/linear/results_true.dat            |  4 ++--
 5 files changed, 10 insertions(+), 12 deletions(-)

diff --git a/src/random_ray/flat_source_domain.cpp b/src/random_ray/flat_source_domain.cpp
index cfe747eec..cd4304b62 100644
--- a/src/random_ray/flat_source_domain.cpp
+++ b/src/random_ray/flat_source_domain.cpp
@@ -187,8 +187,7 @@ void FlatSourceDomain::normalize_scalar_flux_and_volumes(
     source_regions_.volume_naive(sr) =
       source_regions_.volume(sr) * normalization_factor;
     source_regions_.volume_sq(sr) =
-      (source_regions_.volume_sq_t(sr) / source_regions_.volume_t(sr)) *
-      volume_normalization_factor;
+      source_regions_.volume_sq_t(sr) / source_regions_.volume_t(sr);
     source_regions_.volume(sr) =
       source_regions_.volume_t(sr) * volume_normalization_factor;
   }
@@ -463,12 +462,11 @@ void FlatSourceDomain::convert_source_regions_to_tallies()
           auto filter_weight = filter_iter.weight_;
 
           // Loop over scores
-          for (auto score_index = 0; score_index < tally.scores_.size();
-               score_index++) {
-            auto score_bin = tally.scores_[score_index];
+          for (int score = 0; score < tally.scores_.size(); score++) {
+            auto score_bin = tally.scores_[score];
             // If a valid tally, filter, and score combination has been found,
             // then add it to the list of tally tasks for this source element.
-            TallyTask task(i_tally, filter_index, score_index, score_bin);
+            TallyTask task(i_tally, filter_index, score, score_bin);
             source_regions_.tally_task(sr, g).push_back(task);
 
             // Also add this task to the list of volume tasks for this source
diff --git a/src/random_ray/linear_source_domain.cpp b/src/random_ray/linear_source_domain.cpp
index 75d078d1b..a8300ba3f 100644
--- a/src/random_ray/linear_source_domain.cpp
+++ b/src/random_ray/linear_source_domain.cpp
@@ -127,8 +127,7 @@ void LinearSourceDomain::normalize_scalar_flux_and_volumes(
     source_regions_.volume(sr) =
       source_regions_.volume_t(sr) * volume_normalization_factor;
     source_regions_.volume_sq(sr) =
-      (source_regions_.volume_sq_t(sr) / source_regions_.volume_t(sr)) *
-      volume_normalization_factor;
+      source_regions_.volume_sq_t(sr) / source_regions_.volume_t(sr);
     if (source_regions_.volume_t(sr) > 0.0) {
       double inv_volume = 1.0 / source_regions_.volume_t(sr);
       source_regions_.centroid(sr) = source_regions_.centroid_t(sr);
diff --git a/src/random_ray/random_ray.cpp b/src/random_ray/random_ray.cpp
index 9917cf0c5..f9ebb6f9d 100644
--- a/src/random_ray/random_ray.cpp
+++ b/src/random_ray/random_ray.cpp
@@ -703,6 +703,7 @@ void RandomRay::attenuate_flux_linear_source_void(
     // source region. The centroid and spatial momements estimates are scaled by
     // the ray segment length as part of length averaging of the estimates.
     domain_->source_regions_.volume(sr) += distance;
+    domain_->source_regions_.volume_sq(sr) += distance_2;
     domain_->source_regions_.centroid_iteration(sr) += midpoint * distance;
     moment_matrix_estimate *= distance;
     domain_->source_regions_.mom_matrix(sr) += moment_matrix_estimate;
diff --git a/tests/regression_tests/random_ray_void/flat/results_true.dat b/tests/regression_tests/random_ray_void/flat/results_true.dat
index bf395f25f..bd2f2d3b4 100644
--- a/tests/regression_tests/random_ray_void/flat/results_true.dat
+++ b/tests/regression_tests/random_ray_void/flat/results_true.dat
@@ -1,6 +1,6 @@
 tally 1:
-1.760401E+00
-1.554914E-01
+2.354630E+00
+2.777456E-01
 tally 2:
 1.056204E-01
 5.741779E-04
diff --git a/tests/regression_tests/random_ray_void/linear/results_true.dat b/tests/regression_tests/random_ray_void/linear/results_true.dat
index 77fade829..e289b2f13 100644
--- a/tests/regression_tests/random_ray_void/linear/results_true.dat
+++ b/tests/regression_tests/random_ray_void/linear/results_true.dat
@@ -1,6 +1,6 @@
 tally 1:
-1.762592E+00
-1.558698E-01
+2.356821E+00
+2.782548E-01
 tally 2:
 1.082935E-01
 6.029854E-04

From c794065d46c275886ec9fea4eeb6e302b304586f Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Mon, 24 Feb 2025 16:11:18 -0600
Subject: [PATCH 2255/2654] Fix access order issues after applying tally
 results from `Model.run`. (#3313)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/statepoint.py             |  3 +-
 openmc/tallies.py                | 53 +++++++++++++++++++++++++-------
 tests/unit_tests/test_tallies.py | 32 ++++++++++++++++++-
 3 files changed, 75 insertions(+), 13 deletions(-)

diff --git a/openmc/statepoint.py b/openmc/statepoint.py
index 5720f8cd0..f2fd48066 100644
--- a/openmc/statepoint.py
+++ b/openmc/statepoint.py
@@ -6,6 +6,7 @@ import warnings
 
 import h5py
 import numpy as np
+from pathlib import Path
 from uncertainties import ufloat
 
 import openmc
@@ -415,7 +416,7 @@ class StatePoint:
 
                     # Create Tally object and assign basic properties
                     tally = openmc.Tally(tally_id)
-                    tally._sp_filename = self._f.filename
+                    tally._sp_filename = Path(self._f.filename)
                     tally.name = group['name'][()].decode() if 'name' in group else ''
 
                     # Check if tally has multiply_density attribute
diff --git a/openmc/tallies.py b/openmc/tallies.py
index b0d78d357..585e54a7e 100644
--- a/openmc/tallies.py
+++ b/openmc/tallies.py
@@ -1,7 +1,7 @@
 from __future__ import annotations
 from collections.abc import Iterable, MutableSequence
 import copy
-from functools import partial, reduce
+from functools import partial, reduce, wraps
 from itertools import product
 from numbers import Integral, Real
 import operator
@@ -179,6 +179,25 @@ class Tally(IDManagerMixin):
         parts.append('{: <15}=\t{}'.format('Multiply dens.', self.multiply_density))
         return '\n\t'.join(parts)
 
+    @staticmethod
+    def ensure_results(f):
+        """A decorator to be applied to any method that might use tally results.
+           Results will be loaded if appropriate based on the tally properties.
+
+        Args:
+            f function: Tally method to wrap
+
+        Returns:
+            function: Wrapped function that reads tally results before calling
+            the methodif necessary
+        """
+        @wraps(f)
+        def read(self):
+            if self._sp_filename is not None and not self.derived:
+                self._read_results()
+            return f(self)
+        return read
+
     @property
     def name(self):
         return self._name
@@ -218,6 +237,7 @@ class Tally(IDManagerMixin):
         self._filters = cv.CheckedList(_FILTER_CLASSES, 'tally filters', filters)
 
     @property
+    @ensure_results
     def nuclides(self):
         return self._nuclides
 
@@ -314,6 +334,7 @@ class Tally(IDManagerMixin):
                                         triggers)
 
     @property
+    @ensure_results
     def num_realizations(self):
         return self._num_realizations
 
@@ -340,11 +361,11 @@ class Tally(IDManagerMixin):
         with h5py.File(self._sp_filename, 'r') as f:
             # Set number of realizations
             group = f[f'tallies/tally {self.id}']
-            self.num_realizations = int(group['n_realizations'][()])
+            self._num_realizations = int(group['n_realizations'][()])
 
             # Update nuclides
             nuclide_names = group['nuclides'][()]
-            self.nuclides = [name.decode().strip() for name in nuclide_names]
+            self._nuclides = [name.decode().strip() for name in nuclide_names]
 
             # Extract Tally data from the file
             data = group['results']
@@ -368,13 +389,11 @@ class Tally(IDManagerMixin):
         self._results_read = True
 
     @property
+    @ensure_results
     def sum(self):
         if not self._sp_filename or self.derived:
             return None
 
-        # Make sure results have been read
-        self._read_results()
-
         if self.sparse:
             return np.reshape(self._sum.toarray(), self.shape)
         else:
@@ -386,13 +405,11 @@ class Tally(IDManagerMixin):
         self._sum = sum
 
     @property
+    @ensure_results
     def sum_sq(self):
         if not self._sp_filename or self.derived:
             return None
 
-        # Make sure results have been read
-        self._read_results()
-
         if self.sparse:
             return np.reshape(self._sum_sq.toarray(), self.shape)
         else:
@@ -935,10 +952,24 @@ class Tally(IDManagerMixin):
         statepoint : openmc.PathLike or openmc.StatePoint
             Statepoint used to update tally results
         """
+        # derived tallies are populated with data based on combined tallies
+        # and should not be modified
+        if self.derived:
+            return
+
         if isinstance(statepoint, openmc.StatePoint):
-            self._sp_filename = statepoint._f.filename
+            self._sp_filename = Path(statepoint._f.filename)
         else:
-            self._sp_filename = str(statepoint)
+            self._sp_filename = Path(str(statepoint))
+
+        # reset these properties to ensure that any results access after this
+        # point are based on the current statepoint file
+        self._sum = None
+        self._sum_sq = None
+        self._mean = None
+        self._std_dev = None
+        self._num_realizations = 0
+        self._results_read = False
 
     @classmethod
     def from_xml_element(cls, elem, **kwargs):
diff --git a/tests/unit_tests/test_tallies.py b/tests/unit_tests/test_tallies.py
index f044df5d0..ccc6ff343 100644
--- a/tests/unit_tests/test_tallies.py
+++ b/tests/unit_tests/test_tallies.py
@@ -106,14 +106,44 @@ def test_tally_application(sphere_model, run_in_tmpdir):
     tally.scores = ['flux', 'absorption', 'fission', 'scatter']
     sphere_model.tallies = [tally]
 
+    # FIRST RUN
     # run the simulation and apply results
     sp_file = sphere_model.run(apply_tally_results=True)
+    # before calling for any property requiring results (including the equivalence check below),
+    # the following internal attributes of the original should be unset
+    assert tally._mean is None
+    assert tally._std_dev is None
+    assert tally._sum is None
+    assert tally._sum_sq is None
+    assert tally._num_realizations == 0
+    # the statepoint file property should be set, however
+    assert tally._sp_filename == sp_file
+
     with openmc.StatePoint(sp_file) as sp:
         assert tally in sp.tallies.values()
         sp_tally = sp.tallies[tally.id]
 
     # at this point the tally information regarding results should be the same
-    assert (sp_tally.mean == tally.mean).all()
     assert (sp_tally.std_dev == tally.std_dev).all()
+    assert (sp_tally.mean == tally.mean).all()
     assert sp_tally.nuclides == tally.nuclides
 
+    # SECOND RUN
+    # change the number of particles and ensure that the results are different
+    sphere_model.settings.particles += 1
+    sp_file = sphere_model.run(apply_tally_results=True)
+
+    assert (sp_tally.std_dev != tally.std_dev).any()
+    assert (sp_tally.mean != tally.mean).any()
+
+    # now re-read data from the new stateopint file and
+    # ensure that the new results match those in
+    # the latest statepoint
+    with openmc.StatePoint(sp_file) as sp:
+        assert tally in sp.tallies.values()
+        sp_tally = sp.tallies[tally.id]
+
+    # at this point the tally information regarding results should be the same
+    assert (sp_tally.std_dev == tally.std_dev).all()
+    assert (sp_tally.mean == tally.mean).all()
+    assert sp_tally.nuclides == tally.nuclides

From cba132c4b487a2c8cd6318f6a049354575e2a7f4 Mon Sep 17 00:00:00 2001
From: John Tramm <john.tramm@gmail.com>
Date: Mon, 24 Feb 2025 17:25:11 -0600
Subject: [PATCH 2256/2654] Random Ray Linear Source Stability Improvement
 (#3322)

---
 src/random_ray/linear_source_domain.cpp       |  16 +-
 .../linear/results_true.dat                   |  12 +-
 .../linear_xy/results_true.dat                |  12 +-
 .../linear_xy/results_true.dat                | 168 +++++++++---------
 .../test.py                                   |   2 +-
 .../random_ray_void/linear/results_true.dat   |  12 +-
 .../hybrid/results_true.dat                   |  12 +-
 .../naive/results_true.dat                    |  12 +-
 .../simulation_averaged/results_true.dat      |  12 +-
 9 files changed, 132 insertions(+), 126 deletions(-)

diff --git a/src/random_ray/linear_source_domain.cpp b/src/random_ray/linear_source_domain.cpp
index a8300ba3f..3819c7d70 100644
--- a/src/random_ray/linear_source_domain.cpp
+++ b/src/random_ray/linear_source_domain.cpp
@@ -78,13 +78,19 @@ void LinearSourceDomain::update_neutron_source(double k_eff)
       source_regions_.source(sr, g_out) =
         (scatter_flat + fission_flat * inverse_k_eff) / sigma_t;
 
-      // Compute the linear source terms
-      // In the first 10 iterations when the centroids and spatial moments
-      // are not well known, we will leave the source gradients as zero
-      // so as to avoid causing any numerical instability.
-      if (simulation::current_batch > 10) {
+      // Compute the linear source terms. In the first 10 iterations when the
+      // centroids and spatial moments are not well known, we will leave the
+      // source gradients as zero so as to avoid causing any numerical
+      // instability. If a negative source is encountered, this region must be
+      // very small/noisy or have poorly developed spatial moments, so we zero
+      // the source gradients (effectively making this a flat source region
+      // temporarily), so as to improve stability.
+      if (simulation::current_batch > 10 &&
+          source_regions_.source(sr, g_out) >= 0.0) {
         source_regions_.source_gradients(sr, g_out) =
           invM * ((scatter_linear + fission_linear * inverse_k_eff) / sigma_t);
+      } else {
+        source_regions_.source_gradients(sr, g_out) = {0.0, 0.0, 0.0};
       }
     }
   }
diff --git a/tests/regression_tests/random_ray_fixed_source_linear/linear/results_true.dat b/tests/regression_tests/random_ray_fixed_source_linear/linear/results_true.dat
index 46200b19c..2fc08d0a4 100644
--- a/tests/regression_tests/random_ray_fixed_source_linear/linear/results_true.dat
+++ b/tests/regression_tests/random_ray_fixed_source_linear/linear/results_true.dat
@@ -1,9 +1,9 @@
 tally 1:
-2.339084E+00
-2.747299E-01
+2.339085E+00
+2.747304E-01
 tally 2:
-1.090051E-01
-6.073265E-04
+1.089827E-01
+6.069324E-04
 tally 3:
-7.300117E-03
-2.715425E-06
+7.300831E-03
+2.715940E-06
diff --git a/tests/regression_tests/random_ray_fixed_source_linear/linear_xy/results_true.dat b/tests/regression_tests/random_ray_fixed_source_linear/linear_xy/results_true.dat
index ea711a925..f4c8546aa 100644
--- a/tests/regression_tests/random_ray_fixed_source_linear/linear_xy/results_true.dat
+++ b/tests/regression_tests/random_ray_fixed_source_linear/linear_xy/results_true.dat
@@ -1,9 +1,9 @@
 tally 1:
-2.335701E+00
-2.742860E-01
+2.335703E+00
+2.742866E-01
 tally 2:
-1.081600E-01
-5.980902E-04
+1.081884E-01
+5.983316E-04
 tally 3:
-7.295015E-03
-2.711589E-06
+7.295389E-03
+2.711859E-06
diff --git a/tests/regression_tests/random_ray_fixed_source_subcritical/linear_xy/results_true.dat b/tests/regression_tests/random_ray_fixed_source_subcritical/linear_xy/results_true.dat
index 43a6d8258..49813144d 100644
--- a/tests/regression_tests/random_ray_fixed_source_subcritical/linear_xy/results_true.dat
+++ b/tests/regression_tests/random_ray_fixed_source_subcritical/linear_xy/results_true.dat
@@ -1,168 +1,168 @@
 tally 1:
-1.583461E+02
-1.007023E+03
+1.583465E+02
+1.007029E+03
 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-5.891511E+01
-1.392800E+02
+5.891526E+01
+1.392807E+02
 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-2.028333E+01
-1.649217E+01
+2.028338E+01
+1.649224E+01
 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-2.453681E+01
-2.413486E+01
+2.453687E+01
+2.413498E+01
 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-5.235799E+01
-1.099237E+02
+5.235812E+01
+1.099243E+02
 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-9.394382E+01
-3.543494E+02
+9.394406E+01
+3.543513E+02
 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-5.676269E+01
-1.303097E+02
+5.676284E+01
+1.303104E+02
 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-2.007853E+02
-1.616208E+03
+2.007858E+02
+1.616216E+03
 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-7.319692E+01
-2.146291E+02
+7.319709E+01
+2.146301E+02
 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-2.566725E+01
-2.640687E+01
+2.566730E+01
+2.640697E+01
 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-2.934697E+01
-3.453012E+01
+2.934703E+01
+3.453026E+01
 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-5.737202E+01
-1.318574E+02
+5.737215E+01
+1.318580E+02
 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-9.495251E+01
-3.613355E+02
+9.495275E+01
+3.613372E+02
 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-5.799236E+01
-1.356172E+02
+5.799250E+01
+1.356178E+02
 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-1.066411E+02
-4.570264E+02
-1.254011E+01
-6.325603E+00
-3.052011E+01
-3.746896E+01
-4.977289E+01
-9.940494E+01
-2.345784E+00
-2.208432E-01
-5.709169E+00
-1.308139E+00
-1.953078E+01
-1.528285E+01
-1.998229E-01
-1.599785E-03
-4.863290E-01
-9.476135E-03
-2.307190E+01
-2.133049E+01
-2.432475E-01
-2.371063E-03
-5.920158E-01
-1.404471E-02
-5.299849E+01
-1.125570E+02
-1.959909E-01
-1.539183E-03
-4.770085E-01
-9.117394E-03
-1.186130E+02
-5.641029E+02
-5.781214E-02
-1.341752E-04
-1.430521E-01
-8.215282E-04
-7.995712E+01
-2.570085E+02
-3.452925E-01
-4.844032E-03
-9.604136E-01
-3.747567E-02
-1.556790E+02
-9.726171E+02
+1.066414E+02
+4.570291E+02
+1.254014E+01
+6.325640E+00
+3.052020E+01
+3.746918E+01
+4.977302E+01
+9.940548E+01
+2.345790E+00
+2.208444E-01
+5.709184E+00
+1.308146E+00
+1.953082E+01
+1.528292E+01
+1.998234E-01
+1.599792E-03
+4.863302E-01
+9.476180E-03
+2.307196E+01
+2.133059E+01
+2.432481E-01
+2.371074E-03
+5.920173E-01
+1.404478E-02
+5.299862E+01
+1.125576E+02
+1.959914E-01
+1.539191E-03
+4.770098E-01
+9.117441E-03
+1.186133E+02
+5.641060E+02
+5.781230E-02
+1.341759E-04
+1.430525E-01
+8.215326E-04
+7.995734E+01
+2.570099E+02
+3.452934E-01
+4.844058E-03
+9.604162E-01
+3.747587E-02
+1.556795E+02
+9.726232E+02
 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-5.816710E+01
-1.357523E+02
+5.816726E+01
+1.357531E+02
 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-2.018475E+01
-1.633543E+01
+2.018480E+01
+1.633551E+01
 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-2.453470E+01
-2.413604E+01
+2.453476E+01
+2.413615E+01
 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-5.269366E+01
-1.113096E+02
+5.269380E+01
+1.113102E+02
 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-9.550190E+01
-3.658245E+02
+9.550216E+01
+3.658264E+02
 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-5.846305E+01
-1.379618E+02
+5.846320E+01
+1.379625E+02
 0.000000E+00
 0.000000E+00
 0.000000E+00
diff --git a/tests/regression_tests/random_ray_fixed_source_subcritical/test.py b/tests/regression_tests/random_ray_fixed_source_subcritical/test.py
index 6c2c569c6..e2f3cf175 100644
--- a/tests/regression_tests/random_ray_fixed_source_subcritical/test.py
+++ b/tests/regression_tests/random_ray_fixed_source_subcritical/test.py
@@ -17,7 +17,7 @@ class MGXSTestHarness(TolerantPyAPITestHarness):
 
 
 @pytest.mark.parametrize("shape", ["flat", "linear_xy"])
-def test_random_ray_source(shape):
+def test_random_ray_fixed_source_subcritical(shape):
     with change_directory(shape):
         openmc.reset_auto_ids()
 
diff --git a/tests/regression_tests/random_ray_void/linear/results_true.dat b/tests/regression_tests/random_ray_void/linear/results_true.dat
index e289b2f13..befa507a5 100644
--- a/tests/regression_tests/random_ray_void/linear/results_true.dat
+++ b/tests/regression_tests/random_ray_void/linear/results_true.dat
@@ -1,9 +1,9 @@
 tally 1:
-2.356821E+00
-2.782548E-01
+2.356818E+00
+2.782542E-01
 tally 2:
-1.082935E-01
-6.029854E-04
+1.082843E-01
+6.028734E-04
 tally 3:
-7.301975E-03
-2.717553E-06
+7.302705E-03
+2.718076E-06
diff --git a/tests/regression_tests/random_ray_volume_estimator_linear/hybrid/results_true.dat b/tests/regression_tests/random_ray_volume_estimator_linear/hybrid/results_true.dat
index 46200b19c..2fc08d0a4 100644
--- a/tests/regression_tests/random_ray_volume_estimator_linear/hybrid/results_true.dat
+++ b/tests/regression_tests/random_ray_volume_estimator_linear/hybrid/results_true.dat
@@ -1,9 +1,9 @@
 tally 1:
-2.339084E+00
-2.747299E-01
+2.339085E+00
+2.747304E-01
 tally 2:
-1.090051E-01
-6.073265E-04
+1.089827E-01
+6.069324E-04
 tally 3:
-7.300117E-03
-2.715425E-06
+7.300831E-03
+2.715940E-06
diff --git a/tests/regression_tests/random_ray_volume_estimator_linear/naive/results_true.dat b/tests/regression_tests/random_ray_volume_estimator_linear/naive/results_true.dat
index 02bfc5266..5258ffd9c 100644
--- a/tests/regression_tests/random_ray_volume_estimator_linear/naive/results_true.dat
+++ b/tests/regression_tests/random_ray_volume_estimator_linear/naive/results_true.dat
@@ -1,9 +1,9 @@
 tally 1:
-2.339575E+00
-2.748441E-01
+2.339567E+00
+2.748423E-01
 tally 2:
-1.086360E-01
-6.030557E-04
+1.085878E-01
+6.024509E-04
 tally 3:
-7.298937E-03
-2.741185E-06
+7.299803E-03
+2.741867E-06
diff --git a/tests/regression_tests/random_ray_volume_estimator_linear/simulation_averaged/results_true.dat b/tests/regression_tests/random_ray_volume_estimator_linear/simulation_averaged/results_true.dat
index 93e54feea..1e8aa9fb7 100644
--- a/tests/regression_tests/random_ray_volume_estimator_linear/simulation_averaged/results_true.dat
+++ b/tests/regression_tests/random_ray_volume_estimator_linear/simulation_averaged/results_true.dat
@@ -1,9 +1,9 @@
 tally 1:
-2.670874E+02
-4.432876E+05
+2.670850E+02
+4.432939E+05
 tally 2:
-1.117459E-01
-6.497788E-04
+1.116994E-01
+6.491358E-04
 tally 3:
-7.563753E-03
-2.947210E-06
+7.564527E-03
+2.947794E-06

From 244d630fd2c34d8473a0919bc614b499f8642414 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Mon, 24 Feb 2025 17:25:33 -0600
Subject: [PATCH 2257/2654] Clarify effect of CMAKE_BUILD_TYPE in docs (#3321)

---
 docs/source/usersguide/install.rst | 9 ++++++---
 1 file changed, 6 insertions(+), 3 deletions(-)

diff --git a/docs/source/usersguide/install.rst b/docs/source/usersguide/install.rst
index b86f5fee0..bb54594de 100644
--- a/docs/source/usersguide/install.rst
+++ b/docs/source/usersguide/install.rst
@@ -425,13 +425,16 @@ OpenMC can be configured for debug, release, or release with debug info by setti
 the `CMAKE_BUILD_TYPE` option.
 
 Debug
-  Enable debug compiler flags with no optimization `-O0 -g`.
+  Enable debug compiler flags with no optimization. On most platforms/compilers,
+  this is equivalent to `-O0 -g`.
 
 Release
-  Disable debug and enable optimization `-O3 -DNDEBUG`.
+  Disable debug and enable optimization. On most platforms/compilers, this is
+  equivalent to `-O3 -DNDEBUG`.
 
 RelWithDebInfo
-  (Default if no type is specified.) Enable optimization and debug `-O2 -g`.
+  (Default if no type is specified.) Enable optimization and debug. On most
+  platforms/compilers, this is equivalent to `-O2 -g`.
 
 Example of configuring for Debug mode:
 

From fed4b2861687aae2943358f7be6e3cbb1057de59 Mon Sep 17 00:00:00 2001
From: Micah Gale <mg@gale.engineer>
Date: Mon, 24 Feb 2025 21:49:12 -0600
Subject: [PATCH 2258/2654] Mark a canonical URL for docs (#3324)

---
 docs/source/conf.py | 1 +
 1 file changed, 1 insertion(+)

diff --git a/docs/source/conf.py b/docs/source/conf.py
index b9db83507..618cbe648 100644
--- a/docs/source/conf.py
+++ b/docs/source/conf.py
@@ -127,6 +127,7 @@ pygments_style = 'tango'
 import sphinx_rtd_theme
 html_theme = 'sphinx_rtd_theme'
 html_theme_path = [sphinx_rtd_theme.get_html_theme_path()]
+html_baseurl = "https://docs.openmc.org/en/stable/"
 
 html_logo = '_images/openmc_logo.png'
 

From 1729b3bf91f4a99c57f5f330c5e18560c658a084 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Mon, 24 Feb 2025 21:49:47 -0600
Subject: [PATCH 2259/2654] Fixes for problems encountered with version
 determination (#3320)

---
 .readthedocs.yaml                     | 4 +++-
 Dockerfile                            | 2 +-
 LICENSE                               | 2 +-
 cmake/Modules/GetVersionFromGit.cmake | 5 +++++
 docs/source/conf.py                   | 7 ++-----
 docs/source/license.rst               | 2 +-
 man/man1/openmc.1                     | 2 +-
 7 files changed, 14 insertions(+), 10 deletions(-)

diff --git a/.readthedocs.yaml b/.readthedocs.yaml
index 8bbc7d01f..3578144b2 100644
--- a/.readthedocs.yaml
+++ b/.readthedocs.yaml
@@ -4,7 +4,9 @@ build:
   os: "ubuntu-24.04"
   tools:
     python: "3.12"
-
+  jobs:
+    post_checkout:
+      - git fetch --unshallow || true
 sphinx:
   configuration: docs/source/conf.py
 
diff --git a/Dockerfile b/Dockerfile
index 583682ef5..1ae615a50 100644
--- a/Dockerfile
+++ b/Dockerfile
@@ -194,7 +194,7 @@ ENV LIBMESH_INSTALL_DIR=$HOME/LIBMESH
 
 # clone and install openmc
 RUN mkdir -p ${HOME}/OpenMC && cd ${HOME}/OpenMC \
-    && git clone --shallow-submodules --recurse-submodules --single-branch -b ${openmc_branch} --depth=1 ${OPENMC_REPO} \
+    && git clone --shallow-submodules --recurse-submodules --single-branch -b ${openmc_branch} ${OPENMC_REPO} \
     && mkdir build && cd build ; \
     if [ ${build_dagmc} = "on" ] && [ ${build_libmesh} = "on" ]; then \
         cmake ../openmc \
diff --git a/LICENSE b/LICENSE
index 1f9198c1e..8a60b66bf 100644
--- a/LICENSE
+++ b/LICENSE
@@ -1,4 +1,4 @@
-Copyright (c) 2011-2024 Massachusetts Institute of Technology, UChicago Argonne
+Copyright (c) 2011-2025 Massachusetts Institute of Technology, UChicago Argonne
 LLC, and OpenMC contributors
 
 Permission is hereby granted, free of charge, to any person obtaining a copy of
diff --git a/cmake/Modules/GetVersionFromGit.cmake b/cmake/Modules/GetVersionFromGit.cmake
index ee6bac827..42b3725f2 100644
--- a/cmake/Modules/GetVersionFromGit.cmake
+++ b/cmake/Modules/GetVersionFromGit.cmake
@@ -39,6 +39,11 @@ if(EXISTS "${CMAKE_SOURCE_DIR}/.git" AND GIT_FOUND)
         OUTPUT_STRIP_TRAILING_WHITESPACE
     )
 
+    # If no tags are found, instruct user to fetch them
+    if(VERSION_STRING STREQUAL "")
+        message(FATAL_ERROR "No git tags found. Run 'git fetch --tags' and try again.")
+    endif()
+
     # Extract the commit hash
     execute_process(
         COMMAND git rev-parse HEAD
diff --git a/docs/source/conf.py b/docs/source/conf.py
index 618cbe648..8aeff5cdc 100644
--- a/docs/source/conf.py
+++ b/docs/source/conf.py
@@ -62,7 +62,7 @@ master_doc = 'index'
 
 # General information about the project.
 project = 'OpenMC'
-copyright = '2011-2024, Massachusetts Institute of Technology, UChicago Argonne LLC, and OpenMC contributors'
+copyright = '2011-2025, Massachusetts Institute of Technology, UChicago Argonne LLC, and OpenMC contributors'
 
 # The version info for the project you're documenting, acts as replacement for
 # |version| and |release|, also used in various other places throughout the
@@ -71,11 +71,8 @@ copyright = '2011-2024, Massachusetts Institute of Technology, UChicago Argonne
 
 import openmc
 
-# The short X.Y version.
-version = ".".join(openmc.__version__.split('.')[:2])
-
 # The full version, including alpha/beta/rc tags.
-release = openmc.__version__
+version = release = openmc.__version__
 
 # The language for content autogenerated by Sphinx. Refer to documentation
 # for a list of supported languages.
diff --git a/docs/source/license.rst b/docs/source/license.rst
index 23315e8fe..0a90a7441 100644
--- a/docs/source/license.rst
+++ b/docs/source/license.rst
@@ -4,7 +4,7 @@
 License Agreement
 =================
 
-Copyright © 2011-2024 Massachusetts Institute of Technology, UChicago Argonne
+Copyright © 2011-2025 Massachusetts Institute of Technology, UChicago Argonne
 LLC, and OpenMC contributors
 
 Permission is hereby granted, free of charge, to any person obtaining a copy of
diff --git a/man/man1/openmc.1 b/man/man1/openmc.1
index d121a8956..7826a759a 100644
--- a/man/man1/openmc.1
+++ b/man/man1/openmc.1
@@ -63,7 +63,7 @@ Indicates the default path to an HDF5 file that contains multi-group cross
 section libraries if the user has not specified the <cross_sections> tag in
 .I materials.xml\fP.
 .SH LICENSE
-Copyright \(co 2011-2024 Massachusetts Institute of Technology, UChicago
+Copyright \(co 2011-2025 Massachusetts Institute of Technology, UChicago
 Argonne LLC, and OpenMC contributors.
 .PP
 Permission is hereby granted, free of charge, to any person obtaining a copy of

From 27258c009c60a6ca9b3be3e300c0811eab3de72f Mon Sep 17 00:00:00 2001
From: John Tramm <john.tramm@gmail.com>
Date: Tue, 25 Feb 2025 10:34:28 -0600
Subject: [PATCH 2260/2654] Random Ray Adjoint Source Logic Improvement (#3325)

---
 src/random_ray/flat_source_domain.cpp         | 27 ++++++++++++-------
 .../inputs_true.dat                           |  3 ++-
 .../results_true.dat                          | 12 ++++-----
 .../random_ray_adjoint_fixed_source/test.py   |  2 ++
 4 files changed, 27 insertions(+), 17 deletions(-)

diff --git a/src/random_ray/flat_source_domain.cpp b/src/random_ray/flat_source_domain.cpp
index cd4304b62..ae0ecb824 100644
--- a/src/random_ray/flat_source_domain.cpp
+++ b/src/random_ray/flat_source_domain.cpp
@@ -1049,14 +1049,21 @@ void FlatSourceDomain::flatten_xs()
 
 void FlatSourceDomain::set_adjoint_sources(const vector<double>& forward_flux)
 {
-  // Set the external source to 1/forward_flux
-  // The forward flux is given in terms of total for the forward simulation
-  // so we must convert it to a "per batch" quantity
+  // Set the external source to 1/forward_flux. If the forward flux is negative
+  // or zero, set the adjoint source to zero, as this is likely a very small
+  // source region that we don't need to bother trying to vector particles
+  // towards. Flux negativity in random ray is not related to the flux being
+  // small in magnitude, but rather due to the source region being physically
+  // small in volume and thus having a noisy flux estimate.
 #pragma omp parallel for
   for (int64_t sr = 0; sr < n_source_regions_; sr++) {
     for (int g = 0; g < negroups_; g++) {
-      source_regions_.external_source(sr, g) =
-        1.0 / forward_flux[sr * negroups_ + g];
+      double flux = forward_flux[sr * negroups_ + g];
+      if (flux <= 0.0) {
+        source_regions_.external_source(sr, g) = 0.0;
+      } else {
+        source_regions_.external_source(sr, g) = 1.0 / flux;
+      }
     }
   }
 
@@ -1064,12 +1071,12 @@ void FlatSourceDomain::set_adjoint_sources(const vector<double>& forward_flux)
   // iteration)
 #pragma omp parallel for
   for (int64_t sr = 0; sr < n_source_regions_; sr++) {
+    int material = source_regions_.material(sr);
+    if (material == MATERIAL_VOID) {
+      continue;
+    }
     for (int g = 0; g < negroups_; g++) {
-      int material = source_regions_.material(sr);
-      if (material == MATERIAL_VOID) {
-        continue;
-      }
-      double sigma_t = sigma_t_[source_regions_.material(sr) * negroups_ + g];
+      double sigma_t = sigma_t_[material * negroups_ + g];
       source_regions_.external_source(sr, g) /= sigma_t;
     }
   }
diff --git a/tests/regression_tests/random_ray_adjoint_fixed_source/inputs_true.dat b/tests/regression_tests/random_ray_adjoint_fixed_source/inputs_true.dat
index 686987512..65ffd5af7 100644
--- a/tests/regression_tests/random_ray_adjoint_fixed_source/inputs_true.dat
+++ b/tests/regression_tests/random_ray_adjoint_fixed_source/inputs_true.dat
@@ -191,7 +191,7 @@
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
-    <particles>90</particles>
+    <particles>500</particles>
     <batches>10</batches>
     <inactive>5</inactive>
     <source particle="neutron" strength="3.14" type="independent">
@@ -214,6 +214,7 @@
       </source>
       <volume_normalized_flux_tallies>True</volume_normalized_flux_tallies>
       <adjoint>True</adjoint>
+      <volume_estimator>naive</volume_estimator>
     </random_ray>
   </settings>
   <tallies>
diff --git a/tests/regression_tests/random_ray_adjoint_fixed_source/results_true.dat b/tests/regression_tests/random_ray_adjoint_fixed_source/results_true.dat
index a216fa9fc..7178e2f11 100644
--- a/tests/regression_tests/random_ray_adjoint_fixed_source/results_true.dat
+++ b/tests/regression_tests/random_ray_adjoint_fixed_source/results_true.dat
@@ -1,9 +1,9 @@
 tally 1:
--7.235364E+03
-3.367109E+09
+5.790516E+04
+6.740859E+08
 tally 2:
-4.818311E+05
-6.269371E+10
+6.885455E+04
+9.482551E+08
 tally 3:
-1.515641E+06
-4.598791E+11
+1.956327E+05
+7.654469E+09
diff --git a/tests/regression_tests/random_ray_adjoint_fixed_source/test.py b/tests/regression_tests/random_ray_adjoint_fixed_source/test.py
index 0295e36e9..6c2790fa0 100644
--- a/tests/regression_tests/random_ray_adjoint_fixed_source/test.py
+++ b/tests/regression_tests/random_ray_adjoint_fixed_source/test.py
@@ -16,5 +16,7 @@ class MGXSTestHarness(TolerantPyAPITestHarness):
 def test_random_ray_adjoint_fixed_source():
     model = random_ray_three_region_cube()
     model.settings.random_ray['adjoint'] = True
+    model.settings.random_ray['volume_estimator'] = 'naive'
+    model.settings.particles = 500
     harness = MGXSTestHarness('statepoint.10.h5', model)
     harness.main()

From 865c80a5f9a51546c9ed56d059798a68ede241fe Mon Sep 17 00:00:00 2001
From: Olek <45364492+yardasol@users.noreply.github.com>
Date: Tue, 25 Feb 2025 13:50:00 -0600
Subject: [PATCH 2261/2654] Reflect multigroup MicroXS in IndependentOperator
 docstrings (#3327)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/deplete/independent_operator.py | 74 ++++++++++++++------------
 openmc/deplete/openmc_operator.py      | 15 +-----
 2 files changed, 42 insertions(+), 47 deletions(-)

diff --git a/openmc/deplete/independent_operator.py b/openmc/deplete/independent_operator.py
index 226682ffa..333ead0f8 100644
--- a/openmc/deplete/independent_operator.py
+++ b/openmc/deplete/independent_operator.py
@@ -1,7 +1,7 @@
 """Transport-independent transport operator for depletion.
 
 This module implements a transport operator that runs independently of any
-transport solver by using user-provided one-group cross sections.
+transport solver by using user-provided multigroup fluxes and cross sections.
 
 """
 
@@ -24,14 +24,12 @@ from .helpers import ChainFissionHelper, ConstantFissionYieldHelper, SourceRateH
 
 
 class IndependentOperator(OpenMCOperator):
-    """Transport-independent transport operator that uses one-group cross
-    sections to calculate reaction rates.
+    """Transport-independent transport operator based on multigroup data.
 
-    Instances of this class can be used to perform depletion using one-group
-    cross sections and constant flux or constant power. Normally, a user needn't
-    call methods of this class directly. Instead, an instance of this class is
-    passed to an integrator class, such as
-    :class:`openmc.deplete.CECMIntegrator`.
+    Instances of this class can be used to perform depletion using multigroup
+    cross sections and multigroup fluxes. Normally, a user needn't call methods
+    of this class directly. Instead, an instance of this class is passed to an
+    integrator class, such as :class:`openmc.deplete.CECMIntegrator`.
 
     Note that passing an empty :class:`~openmc.deplete.MicroXS` instance to the
     ``micro_xs`` argument allows a decay-only calculation to be run.
@@ -57,43 +55,41 @@ class IndependentOperator(OpenMCOperator):
         ``openmc.config['chain_file']``.
     keff : 2-tuple of float, optional
        keff eigenvalue and uncertainty from transport calculation.
-       Default is None.
     prev_results : Results, optional
         Results from a previous depletion calculation.
     normalization_mode : {"fission-q", "source-rate"}
-        Indicate how reaction rates should be calculated.
-        ``"fission-q"`` uses the fission Q values from the depletion chain to
-        compute the flux based on the power. ``"source-rate"`` uses a the
-        source rate (assumed to be neutron flux) to calculate the
-        reaction rates.
+        Indicate how reaction rates should be calculated. ``"fission-q"`` uses
+        the fission Q values from the depletion chain to compute the flux based
+        on the power. ``"source-rate"`` uses a the source rate (assumed to be
+        neutron flux) to calculate the reaction rates.
     fission_q : dict, optional
         Dictionary of nuclides and their fission Q values [eV]. If not given,
-        values will be pulled from the ``chain_file``. Only applicable
-        if ``"normalization_mode" == "fission-q"``.
+        values will be pulled from the ``chain_file``. Only applicable if
+        ``"normalization_mode" == "fission-q"``.
     reduce_chain : bool, optional
-        If True, use :meth:`openmc.deplete.Chain.reduce` to reduce the
-        depletion chain up to ``reduce_chain_level``.
+        If True, use :meth:`openmc.deplete.Chain.reduce` to reduce the depletion
+        chain up to ``reduce_chain_level``.
     reduce_chain_level : int, optional
-        Depth of the search when reducing the depletion chain. Only used
-        if ``reduce_chain`` evaluates to true. The default value of
-        ``None`` implies no limit on the depth.
+        Depth of the search when reducing the depletion chain. Only used if
+        ``reduce_chain`` evaluates to true. The default value of ``None``
+        implies no limit on the depth.
     fission_yield_opts : dict of str to option, optional
         Optional arguments to pass to the
         :class:`openmc.deplete.helpers.FissionYieldHelper` object. Will be
-        passed directly on to the helper. Passing a value of None will use
-        the defaults for the associated helper.
+        passed directly on to the helper. Passing a value of None will use the
+        defaults for the associated helper.
 
     Attributes
     ----------
     materials : openmc.Materials
         All materials present in the model
-    cross_sections : MicroXS
-        Object containing one-group cross-sections in [cm^2].
+    cross_sections : list of MicroXS
+        Object containing multigroup cross-sections in [b] for each material.
     output_dir : pathlib.Path
         Path to output directory to save results.
     round_number : bool
-        Whether or not to round output to OpenMC to 8 digits.
-        Useful in testing, as OpenMC is incredibly sensitive to exact values.
+        Whether or not to round output to OpenMC to 8 digits. Useful in testing,
+        as OpenMC is incredibly sensitive to exact values.
     number : openmc.deplete.AtomNumber
         Total number of atoms in simulation.
     nuclides_with_data : set of str
@@ -109,8 +105,8 @@ class IndependentOperator(OpenMCOperator):
     local_mats : list of str
         All burnable material IDs being managed by a single process
     prev_res : Results or None
-        Results from a previous depletion calculation. ``None`` if no
-        results are to be used.
+        Results from a previous depletion calculation. ``None`` if no results
+        are to be used.
 
     """
 
@@ -279,14 +275,26 @@ class IndependentOperator(OpenMCOperator):
                 self.prev_res.append(new_res)
 
     def _get_nuclides_with_data(self, cross_sections: list[MicroXS]) -> set[str]:
-        """Finds nuclides with cross section data"""
+        """Finds nuclides with cross section data
+
+        Parameters
+        ----------
+        cross_sections : iterable of :class`~openmc.deplete.MicroXS`
+            List of multigroup cross-section data.
+
+        Returns
+        -------
+        nuclides : set of str
+            Set of nuclide names that have cross secton data
+
+        """
         return set(cross_sections[0].nuclides)
 
     class _IndependentRateHelper(ReactionRateHelper):
-        """Class for generating one-group reaction rates with flux and
-        one-group cross sections.
+        """Class for generating reaction rates with multigroup fluxes and
+        multigroup cross sections.
 
-        This class does not generate tallies, and instead stores cross sections
+        This class does not generate tallies and instead stores cross sections
         for each nuclide and transmutation reaction relevant for a depletion
         calculation. The reaction rate is calculated by multiplying the flux by
         the cross sections.
diff --git a/openmc/deplete/openmc_operator.py b/openmc/deplete/openmc_operator.py
index 049e0dd37..64cb0a7e5 100644
--- a/openmc/deplete/openmc_operator.py
+++ b/openmc/deplete/openmc_operator.py
@@ -247,20 +247,7 @@ class OpenMCOperator(TransportOperator):
 
     @abstractmethod
     def _get_nuclides_with_data(self, cross_sections):
-        """Find nuclides with cross section data
-
-        Parameters
-        ----------
-        cross_sections : str or pandas.DataFrame
-            Path to continuous energy cross section library, or object
-            containing one-group cross-sections.
-
-        Returns
-        -------
-        nuclides : set of str
-            Set of nuclide names that have cross secton data
-
-        """
+        """Find nuclides with cross section data."""
 
     def _extract_number(self, local_mats, volume, all_nuclides, prev_res=None):
         """Construct AtomNumber using geometry

From e060534ff1d79885ef2b20ae169a8b9b5e63c3c5 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 26 Feb 2025 08:14:53 -0600
Subject: [PATCH 2262/2654] Compute material volumes in mesh elements based on
 raytracing (#3129)

Co-authored-by: Olek <45364492+yardasol@users.noreply.github.com>
Co-authored-by: Patrick Shriwise <pshriwise@gmail.com>
---
 docs/source/pythonapi/base.rst |   1 +
 include/openmc/bounding_box.h  |   4 +
 include/openmc/capi.h          |   4 +-
 include/openmc/mesh.h          |  95 +++++--
 openmc/lib/mesh.py             | 131 ++++++----
 openmc/mesh.py                 | 227 +++++++++++++---
 src/mesh.cpp                   | 465 ++++++++++++++++++++++++++-------
 src/particle.cpp               |   1 -
 tests/unit_tests/test_lib.py   |  36 +--
 tests/unit_tests/test_mesh.py  |  88 ++++++-
 10 files changed, 814 insertions(+), 238 deletions(-)

diff --git a/docs/source/pythonapi/base.rst b/docs/source/pythonapi/base.rst
index bfd942727..e5b5b17c3 100644
--- a/docs/source/pythonapi/base.rst
+++ b/docs/source/pythonapi/base.rst
@@ -152,6 +152,7 @@ Constructing Tallies
    openmc.CylindricalMesh
    openmc.SphericalMesh
    openmc.UnstructuredMesh
+   openmc.MeshMaterialVolumes
    openmc.Trigger
    openmc.TallyDerivative
    openmc.Tally
diff --git a/include/openmc/bounding_box.h b/include/openmc/bounding_box.h
index 40f603583..d02d92cb4 100644
--- a/include/openmc/bounding_box.h
+++ b/include/openmc/bounding_box.h
@@ -4,6 +4,7 @@
 #include <algorithm> // for min, max
 
 #include "openmc/constants.h"
+#include "openmc/position.h"
 
 namespace openmc {
 
@@ -54,6 +55,9 @@ struct BoundingBox {
     zmax = std::max(zmax, other.zmax);
     return *this;
   }
+
+  inline Position min() const { return {xmin, ymin, zmin}; }
+  inline Position max() const { return {xmax, ymax, zmax}; }
 };
 
 } // namespace openmc
diff --git a/include/openmc/capi.h b/include/openmc/capi.h
index 8edd99c07..3802692c3 100644
--- a/include/openmc/capi.h
+++ b/include/openmc/capi.h
@@ -110,8 +110,8 @@ int openmc_mesh_get_id(int32_t index, int32_t* id);
 int openmc_mesh_set_id(int32_t index, int32_t id);
 int openmc_mesh_get_n_elements(int32_t index, size_t* n);
 int openmc_mesh_get_volumes(int32_t index, double* volumes);
-int openmc_mesh_material_volumes(int32_t index, int n_sample, int bin,
-  int result_size, void* result, int* hits, uint64_t* seed);
+int openmc_mesh_material_volumes(int32_t index, int nx, int ny, int nz,
+  int max_mats, int32_t* materials, double* volumes);
 int openmc_meshsurface_filter_get_mesh(int32_t index, int32_t* index_mesh);
 int openmc_meshsurface_filter_set_mesh(int32_t index, int32_t index_mesh);
 int openmc_new_filter(const char* type, int32_t* index);
diff --git a/include/openmc/mesh.h b/include/openmc/mesh.h
index 3aef49c7e..943e49a5f 100644
--- a/include/openmc/mesh.h
+++ b/include/openmc/mesh.h
@@ -69,14 +69,70 @@ extern const libMesh::Parallel::Communicator* libmesh_comm;
 } // namespace settings
 #endif
 
+//==============================================================================
+//! Helper class for keeping track of volume for each material in a mesh element
+//
+//! This class is used in Mesh::material_volumes to manage for each mesh element
+//! a list of (material, volume) pairs. The openmc.lib.Mesh class allocates two
+//! 2D arrays, one for materials and one for volumes. Because we don't know a
+//! priori how many materials there are in each element but at the same time we
+//! can't dynamically size an array at runtime for performance reasons, we
+//! assume a maximum number of materials per element. For each element, the set
+//! of material indices are stored in a hash table with twice as many slots as
+//! the assumed maximum number of materials per element. Collision resolution is
+//! handled by open addressing with linear probing.
+//==============================================================================
+
+namespace detail {
+
+class MaterialVolumes {
+public:
+  MaterialVolumes(int32_t* mats, double* vols, int table_size)
+    : materials_(mats), volumes_(vols), table_size_(table_size)
+  {}
+
+  //! Add volume for a given material in a mesh element
+  //
+  //! \param[in] index_elem Index of the mesh element
+  //! \param[in] index_material Index of the material within the model
+  //! \param[in] volume Volume to add
+  void add_volume(int index_elem, int index_material, double volume);
+  void add_volume_unsafe(int index_elem, int index_material, double volume);
+
+  // Accessors
+  int32_t& materials(int i, int j) { return materials_[i * table_size_ + j]; }
+  const int32_t& materials(int i, int j) const
+  {
+    return materials_[i * table_size_ + j];
+  }
+
+  double& volumes(int i, int j) { return volumes_[i * table_size_ + j]; }
+  const double& volumes(int i, int j) const
+  {
+    return volumes_[i * table_size_ + j];
+  }
+
+  bool table_full() const { return table_full_; }
+
+private:
+  int32_t* materials_;      //!< material index (bins, table_size)
+  double* volumes_;         //!< volume in [cm^3] (bins, table_size)
+  int table_size_;          //!< Size of hash table for each mesh element
+  bool table_full_ {false}; //!< Whether the hash table is full
+
+  // Value used to indicate an empty slot in the hash table. We use -2 because
+  // the value -1 is used to indicate a void material.
+  static constexpr int EMPTY {-2};
+};
+
+} // namespace detail
+
+//==============================================================================
+//! Base mesh class
+//==============================================================================
+
 class Mesh {
 public:
-  // Types, aliases
-  struct MaterialVolume {
-    int32_t material; //!< material index
-    double volume;    //!< volume in [cm^3]
-  };
-
   // Constructors and destructor
   Mesh() = default;
   Mesh(pugi::xml_node node);
@@ -172,24 +228,17 @@ public:
 
   virtual std::string get_mesh_type() const = 0;
 
-  //! Determine volume of materials within a single mesh elemenet
+  //! Determine volume of materials within each mesh element
   //
-  //! \param[in] n_sample Number of samples within each element
-  //! \param[in] bin Index of mesh element
-  //! \param[out] Array of (material index, volume) for desired element
-  //! \param[inout] seed Pseudorandom number seed
-  //! \return Number of materials within element
-  int material_volumes(
-    int n_sample, int bin, span<MaterialVolume> volumes, uint64_t* seed) const;
-
-  //! Determine volume of materials within a single mesh elemenet
-  //
-  //! \param[in] n_sample Number of samples within each element
-  //! \param[in] bin Index of mesh element
-  //! \param[inout] seed Pseudorandom number seed
-  //! \return Vector of (material index, volume) for desired element
-  vector<MaterialVolume> material_volumes(
-    int n_sample, int bin, uint64_t* seed) const;
+  //! \param[in] nx Number of samples in x direction
+  //! \param[in] ny Number of samples in y direction
+  //! \param[in] nz Number of samples in z direction
+  //! \param[in] max_materials Maximum number of materials in a single mesh
+  //!                          element
+  //! \param[inout] materials Array storing material indices
+  //! \param[inout] volumes Array storing volumes
+  void material_volumes(int nx, int ny, int nz, int max_materials,
+    int32_t* materials, double* volumes) const;
 
   //! Determine bounding box of mesh
   //
diff --git a/openmc/lib/mesh.py b/openmc/lib/mesh.py
index 16bec0198..3a720f98a 100644
--- a/openmc/lib/mesh.py
+++ b/openmc/lib/mesh.py
@@ -1,7 +1,7 @@
 from collections.abc import Mapping, Sequence
-from ctypes import (c_int, c_int32, c_char_p, c_double, POINTER, Structure,
-                    create_string_buffer, c_uint64, c_size_t)
-from random import getrandbits
+from ctypes import (c_int, c_int32, c_char_p, c_double, POINTER,
+                    create_string_buffer, c_size_t)
+from math import sqrt
 import sys
 from weakref import WeakValueDictionary
 
@@ -10,24 +10,20 @@ from numpy.ctypeslib import as_array
 
 from ..exceptions import AllocationError, InvalidIDError
 from . import _dll
-from .core import _FortranObjectWithID
+from .core import _FortranObjectWithID, quiet_dll
 from .error import _error_handler
-from .material import Material
 from .plot import _Position
 from ..bounding_box import BoundingBox
+from ..mesh import MeshMaterialVolumes
 
 __all__ = [
     'Mesh', 'RegularMesh', 'RectilinearMesh', 'CylindricalMesh',
-    'SphericalMesh', 'UnstructuredMesh', 'meshes'
+    'SphericalMesh', 'UnstructuredMesh', 'meshes', 'MeshMaterialVolumes'
 ]
 
 
-class _MaterialVolume(Structure):
-    _fields_ = [
-        ("material", c_int32),
-        ("volume", c_double)
-    ]
-
+arr_2d_int32 = np.ctypeslib.ndpointer(dtype=np.int32, ndim=2, flags='CONTIGUOUS')
+arr_2d_double = np.ctypeslib.ndpointer(dtype=np.double, ndim=2, flags='CONTIGUOUS')
 
 # Mesh functions
 _dll.openmc_extend_meshes.argtypes = [c_int32, c_char_p, POINTER(c_int32),
@@ -51,8 +47,7 @@ _dll.openmc_mesh_bounding_box.argtypes = [
 _dll.openmc_mesh_bounding_box.restype = c_int
 _dll.openmc_mesh_bounding_box.errcheck = _error_handler
 _dll.openmc_mesh_material_volumes.argtypes = [
-    c_int32, c_int, c_int, c_int, POINTER(_MaterialVolume),
-    POINTER(c_int), POINTER(c_uint64)]
+    c_int32, c_int, c_int, c_int, c_int, arr_2d_int32, arr_2d_double]
 _dll.openmc_mesh_material_volumes.restype = c_int
 _dll.openmc_mesh_material_volumes.errcheck = _error_handler
 _dll.openmc_mesh_get_plot_bins.argtypes = [
@@ -190,58 +185,81 @@ class Mesh(_FortranObjectWithID):
 
     def material_volumes(
             self,
-            n_samples: int = 10_000,
-            prn_seed: int | None = None
-    ) -> list[list[tuple[Material, float]]]:
-        """Determine volume of materials in each mesh element
+            n_samples: int | tuple[int, int, int] = 10_000,
+            max_materials: int = 4,
+            output: bool = True,
+    ) -> MeshMaterialVolumes:
+        """Determine volume of materials in each mesh element.
+
+        This method works by raytracing repeatedly through the mesh to count the
+        estimated volume of each material in all mesh elements. Three sets of
+        rays are used: one set parallel to the x-axis, one parallel to the
+        y-axis, and one parallel to the z-axis.
 
         .. versionadded:: 0.15.0
 
+        .. versionchanged:: 0.15.1
+            Material volumes are now determined by raytracing rather than by
+            point sampling.
+
         Parameters
         ----------
-        n_samples : int
-            Number of samples in each mesh element
-        prn_seed : int
-            Pseudorandom number generator (PRNG) seed; if None, one will be
-            generated randomly.
+        n_samples : int or 3-tuple of int
+            Total number of rays to sample. The number of rays in each direction
+            is determined by the aspect ratio of the mesh bounding box. When
+            specified as a 3-tuple, it is interpreted as the number of rays in
+            the x, y, and z dimensions.
+        max_materials : int, optional
+            Estimated maximum number of materials in any given mesh element.
+        output : bool, optional
+            Whether or not to show output.
 
         Returns
         -------
-        List of tuple of (material, volume) for each mesh element. Void volume
-        is represented by having a value of None in the first element of a
-        tuple.
+        MeshMaterialVolumes
+            Dictionary-like object that maps material IDs to an array of volumes
+            equal in size to the number of mesh elements.
 
         """
-        if n_samples <= 0:
-            raise ValueError("Number of samples must be positive")
-        if prn_seed is None:
-            prn_seed = getrandbits(63)
-        prn_seed = c_uint64(prn_seed)
+        if isinstance(n_samples, int):
+            # Determine number of rays in each direction based on aspect ratios
+            # and using the relation (nx*ny + ny*nz + nx*nz) = n_samples
+            width_x, width_y, width_z = self.bounding_box.width
+            ax = width_x / width_z
+            ay = width_y / width_z
+            f = sqrt(n_samples/(ax*ay + ax + ay))
+            nx = round(f * ax)
+            ny = round(f * ay)
+            nz = round(f)
+        else:
+            nx, ny, nz = n_samples
 
-        # Preallocate space for MaterialVolume results
-        size = 16
-        result = (_MaterialVolume * size)()
+        # Value indicating an empty slot in the hash table (matches C++)
+        EMPTY_SLOT = -2
 
-        hits = c_int()  # Number of materials hit in a given element
-        volumes = []
-        for i_element in range(self.n_elements):
-            while True:
-                try:
+        # Preallocate arrays for material indices and volumes
+        n = self.n_elements
+        slot_factor = 2
+        table_size = slot_factor*max_materials
+        materials = np.full((n, table_size), EMPTY_SLOT, dtype=np.int32)
+        volumes = np.zeros((n, table_size), dtype=np.float64)
+
+        # Run material volume calculation
+        while True:
+            try:
+                with quiet_dll(output):
                     _dll.openmc_mesh_material_volumes(
-                        self._index, n_samples, i_element, size, result, hits, prn_seed)
-                except AllocationError:
-                    # Increase size of result array and try again
-                    size *= 2
-                    result = (_MaterialVolume * size)()
-                else:
-                    # If no error, break out of loop
-                    break
+                        self._index, nx, ny, nz, table_size, materials, volumes)
+            except AllocationError:
+                # Increase size of result array and try again
+                table_size *= 2
+                materials = np.full((n, table_size), EMPTY_SLOT, dtype=np.int32)
+                volumes = np.zeros((n, table_size), dtype=np.float64)
+            else:
+                # If no error, break out of loop
+                break
 
-            volumes.append([
-                (Material(index=r.material), r.volume)
-                for r in result[:hits.value]
-            ])
-        return volumes
+        return MeshMaterialVolumes(materials, volumes)
 
     def get_plot_bins(
             self,
@@ -306,7 +324,7 @@ class RegularMesh(Mesh):
         The lower-left corner of the structured mesh. If only two coordinate are
         given, it is assumed that the mesh is an x-y mesh.
     upper_right : numpy.ndarray
-        The upper-right corner of the structrued mesh. If only two coordinate
+        The upper-right corner of the structured mesh. If only two coordinate
         are given, it is assumed that the mesh is an x-y mesh.
     width : numpy.ndarray
         The width of mesh cells in each direction.
@@ -395,7 +413,7 @@ class RectilinearMesh(Mesh):
     lower_left : numpy.ndarray
         The lower-left corner of the structured mesh.
     upper_right : numpy.ndarray
-        The upper-right corner of the structrued mesh.
+        The upper-right corner of the structured mesh.
     width : numpy.ndarray
         The width of mesh cells in each direction.
     n_elements : int
@@ -500,7 +518,7 @@ class CylindricalMesh(Mesh):
     lower_left : numpy.ndarray
         The lower-left corner of the structured mesh.
     upper_right : numpy.ndarray
-        The upper-right corner of the structrued mesh.
+        The upper-right corner of the structured mesh.
     width : numpy.ndarray
         The width of mesh cells in each direction.
     n_elements : int
@@ -605,7 +623,7 @@ class SphericalMesh(Mesh):
     lower_left : numpy.ndarray
         The lower-left corner of the structured mesh.
     upper_right : numpy.ndarray
-        The upper-right corner of the structrued mesh.
+        The upper-right corner of the structured mesh.
     width : numpy.ndarray
         The width of mesh cells in each direction.
     n_elements : int
@@ -719,7 +737,6 @@ class _MeshMapping(Mapping):
             raise KeyError(str(e))
         return _get_mesh(index.value)
 
-
     def __iter__(self):
         for i in range(len(self)):
             yield _get_mesh(i).id
diff --git a/openmc/mesh.py b/openmc/mesh.py
index 4c594c9c6..08025f374 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -1,7 +1,7 @@
 from __future__ import annotations
 import warnings
 from abc import ABC, abstractmethod
-from collections.abc import Iterable, Sequence
+from collections.abc import Iterable, Sequence, Mapping
 from functools import wraps
 from math import pi, sqrt, atan2
 from numbers import Integral, Real
@@ -21,6 +21,120 @@ from .surface import _BOUNDARY_TYPES
 from .utility_funcs import input_path
 
 
+class MeshMaterialVolumes(Mapping):
+    """Results from a material volume in mesh calculation.
+
+    This class provides multiple ways of accessing information about material
+    volumes in individual mesh elements. First, the class behaves like a
+    dictionary that maps material IDs to an array of volumes equal in size to
+    the number of mesh elements. Second, the class provides a :meth:`by_element`
+    method that gives all the material volumes for a specific mesh element.
+
+    .. versionadded:: 0.15.1
+
+    Parameters
+    ----------
+    materials : numpy.ndarray
+        Array of shape (elements, max_materials) storing material IDs
+    volumes : numpy.ndarray
+        Array of shape (elements, max_materials) storing material volumes
+
+    See Also
+    --------
+    openmc.MeshBase.material_volumes
+
+    Examples
+    --------
+    If you want to get the volume of a specific material in every mesh element,
+    index the object with the material ID:
+
+    >>> volumes = mesh.material_volumes(...)
+    >>> volumes
+    {1: <32121 nonzero volumes>
+     2: <338186 nonzero volumes>
+     3: <49120 nonzero volumes>}
+
+    If you want the volume of all materials in a specific mesh element, use the
+    :meth:`by_element` method:
+
+    >>> volumes = mesh.material_volumes(...)
+    >>> volumes.by_element(42)
+    [(2, 31.87963824195591), (1, 6.129949130817542)]
+
+    """
+    def __init__(self, materials: np.ndarray, volumes: np.ndarray):
+        self._materials = materials
+        self._volumes = volumes
+
+    @property
+    def num_elements(self) -> int:
+        return self._volumes.shape[0]
+
+    def __iter__(self):
+        for mat in np.unique(self._materials):
+            if mat > 0:
+                yield mat
+
+    def __len__(self) -> int:
+        return (np.unique(self._materials) > 0).sum()
+
+    def __repr__(self) -> str:
+        ids, counts = np.unique(self._materials, return_counts=True)
+        return '{' + '\n '.join(
+            f'{id}: <{count} nonzero volumes>' for id, count in zip(ids, counts) if id > 0) + '}'
+
+    def __getitem__(self, material_id: int) -> np.ndarray:
+        volumes = np.zeros(self.num_elements)
+        for i in range(self._volumes.shape[1]):
+            indices = (self._materials[:, i] == material_id)
+            volumes[indices] = self._volumes[indices, i]
+        return volumes
+
+    def by_element(self, index_elem: int) -> list[tuple[int | None, float]]:
+        """Get a list of volumes for each material within a specific element.
+
+        Parameters
+        ----------
+        index_elem : int
+            Mesh element index
+
+        Returns
+        -------
+        list of tuple of (material ID, volume)
+
+        """
+        table_size = self._volumes.shape[1]
+        return [
+            (m if m > -1 else None, self._volumes[index_elem, i])
+            for i in range(table_size)
+            if (m := self._materials[index_elem, i]) != -2
+        ]
+
+    def save(self, filename: PathLike):
+        """Save material volumes to a .npz file.
+
+        Parameters
+        ----------
+        filename : path-like
+            Filename where data will be saved
+        """
+        np.savez_compressed(
+            filename, materials=self._materials, volumes=self._volumes)
+
+    @classmethod
+    def from_npz(cls, filename: PathLike) -> MeshMaterialVolumes:
+        """Generate material volumes from a .npz file
+
+        Parameters
+        ----------
+        filename : path-like
+            File where data will be read from
+
+        """
+        filedata = np.load(filename)
+        return cls(filedata['materials'], filedata['volumes'])
+
+
 class MeshBase(IDManagerMixin, ABC):
     """A mesh that partitions geometry for tallying purposes.
 
@@ -170,8 +284,7 @@ class MeshBase(IDManagerMixin, ABC):
     def get_homogenized_materials(
             self,
             model: openmc.Model,
-            n_samples: int = 10_000,
-            prn_seed: int | None = None,
+            n_samples: int | tuple[int, int, int] = 10_000,
             include_void: bool = True,
             **kwargs
     ) -> list[openmc.Material]:
@@ -184,15 +297,15 @@ class MeshBase(IDManagerMixin, ABC):
         model : openmc.Model
             Model containing materials to be homogenized and the associated
             geometry.
-        n_samples : int
-            Number of samples in each mesh element.
-        prn_seed : int, optional
-            Pseudorandom number generator (PRNG) seed; if None, one will be
-            generated randomly.
+        n_samples : int or 2-tuple of int
+            Total number of rays to sample. The number of rays in each direction
+            is determined by the aspect ratio of the mesh bounding box. When
+            specified as a 3-tuple, it is interpreted as the number of rays in
+            the x, y, and z dimensions.
         include_void : bool, optional
             Whether homogenization should include voids.
         **kwargs
-            Keyword-arguments passed to :func:`openmc.lib.init`.
+            Keyword-arguments passed to :meth:`MeshBase.material_volumes`.
 
         Returns
         -------
@@ -200,34 +313,8 @@ class MeshBase(IDManagerMixin, ABC):
             Homogenized material in each mesh element
 
         """
-        import openmc.lib
-
-        with change_directory(tmpdir=True):
-            # In order to get mesh into model, we temporarily replace the
-            # tallies with a single mesh tally using the current mesh
-            original_tallies = model.tallies
-            new_tally = openmc.Tally()
-            new_tally.filters = [openmc.MeshFilter(self)]
-            new_tally.scores = ['flux']
-            model.tallies = [new_tally]
-
-            # Export model to XML
-            model.export_to_model_xml()
-
-            # Get material volume fractions
-            openmc.lib.init(**kwargs)
-            mesh = openmc.lib.tallies[new_tally.id].filters[0].mesh
-            mat_volume_by_element = [
-                [
-                    (mat.id if mat is not None else None, volume)
-                    for mat, volume in mat_volume_list
-                ]
-                for mat_volume_list in mesh.material_volumes(n_samples, prn_seed)
-            ]
-            openmc.lib.finalize()
-
-            # Restore original tallies
-            model.tallies = original_tallies
+        vols = self.material_volumes(model, n_samples, **kwargs)
+        mat_volume_by_element = [vols.by_element(i) for i in range(vols.num_elements)]
 
         # Create homogenized material for each element
         materials = model.geometry.get_all_materials()
@@ -274,6 +361,72 @@ class MeshBase(IDManagerMixin, ABC):
 
         return homogenized_materials
 
+    def material_volumes(
+            self,
+            model: openmc.Model,
+            n_samples: int | tuple[int, int, int] = 10_000,
+            max_materials: int = 4,
+            **kwargs
+    ) -> MeshMaterialVolumes:
+        """Determine volume of materials in each mesh element.
+
+        This method works by raytracing repeatedly through the mesh to count the
+        estimated volume of each material in all mesh elements. Three sets of
+        rays are used: one set parallel to the x-axis, one parallel to the
+        y-axis, and one parallel to the z-axis.
+
+        .. versionadded:: 0.15.1
+
+        Parameters
+        ----------
+        model : openmc.Model
+            Model containing materials.
+        n_samples : int or 3-tuple of int
+            Total number of rays to sample. The number of rays in each direction
+            is determined by the aspect ratio of the mesh bounding box. When
+            specified as a 3-tuple, it is interpreted as the number of rays in
+            the x, y, and z dimensions.
+        max_materials : int, optional
+            Estimated maximum number of materials in any given mesh element.
+        **kwargs : dict
+            Keyword arguments passed to :func:`openmc.lib.init`
+
+        Returns
+        -------
+        Dictionary-like object that maps material IDs to an array of volumes
+        equal in size to the number of mesh elements.
+
+        """
+        import openmc.lib
+
+        with change_directory(tmpdir=True):
+            # In order to get mesh into model, we temporarily replace the
+            # tallies with a single mesh tally using the current mesh
+            original_tallies = model.tallies
+            new_tally = openmc.Tally()
+            new_tally.filters = [openmc.MeshFilter(self)]
+            new_tally.scores = ['flux']
+            model.tallies = [new_tally]
+
+            # Export model to XML
+            model.export_to_model_xml()
+
+            # Get material volume fractions
+            kwargs.setdefault('output', True)
+            if 'args' in kwargs:
+                kwargs['args'] = ['-c'] + kwargs['args']
+            kwargs.setdefault('args', ['-c'])
+            openmc.lib.init(**kwargs)
+            mesh = openmc.lib.tallies[new_tally.id].filters[0].mesh
+            volumes = mesh.material_volumes(
+                n_samples, max_materials, output=kwargs['output'])
+            openmc.lib.finalize()
+
+            # Restore original tallies
+            model.tallies = original_tallies
+
+        return volumes
+
 
 class StructuredMesh(MeshBase):
     """A base class for structured mesh functionality
diff --git a/src/mesh.cpp b/src/mesh.cpp
index 3e1f25c4b..a24b51a0b 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -6,10 +6,15 @@
 #include <cstddef>        // for size_t
 #include <string>
 
+#ifdef _MSC_VER
+#include <intrin.h> // for _InterlockedCompareExchange
+#endif
+
 #ifdef OPENMC_MPI
 #include "mpi.h"
 #endif
 
+#include "xtensor/xadapt.hpp"
 #include "xtensor/xbuilder.hpp"
 #include "xtensor/xeval.hpp"
 #include "xtensor/xmath.hpp"
@@ -29,13 +34,16 @@
 #include "openmc/memory.h"
 #include "openmc/message_passing.h"
 #include "openmc/openmp_interface.h"
+#include "openmc/output.h"
 #include "openmc/particle_data.h"
 #include "openmc/plot.h"
 #include "openmc/random_dist.h"
 #include "openmc/search.h"
 #include "openmc/settings.h"
+#include "openmc/string_utils.h"
 #include "openmc/tallies/filter.h"
 #include "openmc/tallies/tally.h"
+#include "openmc/timer.h"
 #include "openmc/volume_calc.h"
 #include "openmc/xml_interface.h"
 
@@ -102,6 +110,113 @@ inline bool check_intersection_point(double x1, double x0, double y1, double y0,
   return false;
 }
 
+//! Atomic compare-and-swap for signed 32-bit integer
+//
+//! \param[in,out] ptr Pointer to value to update
+//! \param[in] expected Value to compare to
+//! \param[in] desired If comparison is successful, value to update to
+//! \return True if the comparison was successful and the value was updated
+inline bool atomic_cas_int32(int32_t* ptr, int32_t& expected, int32_t desired)
+{
+#if defined(__GNUC__) || defined(__clang__)
+  // For gcc/clang, use the __atomic_compare_exchange_n intrinsic
+  return __atomic_compare_exchange_n(
+    ptr, &expected, desired, false, __ATOMIC_SEQ_CST, __ATOMIC_SEQ_CST);
+
+#elif defined(_MSC_VER)
+  // For MSVC, use the _InterlockedCompareExchange intrinsic
+  int32_t old_val =
+    _InterlockedCompareExchange(reinterpret_cast<volatile long*>(ptr),
+      static_cast<long>(desired), static_cast<long>(expected));
+  return (old_val == expected);
+
+#else
+#error "No compare-and-swap implementation available for this compiler."
+#endif
+}
+
+namespace detail {
+
+//==============================================================================
+// MaterialVolumes implementation
+//==============================================================================
+
+void MaterialVolumes::add_volume(
+  int index_elem, int index_material, double volume)
+{
+  // This method handles adding elements to the materials hash table,
+  // implementing open addressing with linear probing. Consistency across
+  // multiple threads is handled by with an atomic compare-and-swap operation.
+  // Ideally, we would use #pragma omp atomic compare, but it was introduced in
+  // OpenMP 5.1 and is not widely supported yet.
+
+  // Loop for linear probing
+  for (int attempt = 0; attempt < table_size_; ++attempt) {
+    // Determine slot to check
+    int slot = (index_material + attempt) % table_size_;
+    int32_t* slot_ptr = &this->materials(index_elem, slot);
+
+    // Non-atomic read of current material
+    int32_t current_val = *slot_ptr;
+
+    // Found the desired material; accumulate volume
+    if (current_val == index_material) {
+#pragma omp atomic
+      this->volumes(index_elem, slot) += volume;
+      return;
+    }
+
+    // Slot appears to be empty; attempt to claim
+    if (current_val == EMPTY) {
+      // Attempt compare-and-swap from EMPTY to index_material
+      int32_t expected_val = EMPTY;
+      bool claimed_slot =
+        atomic_cas_int32(slot_ptr, expected_val, index_material);
+
+      // If we claimed the slot or another thread claimed it but the same
+      // material was inserted, proceed to accumulate
+      if (claimed_slot || (expected_val == index_material)) {
+#pragma omp atomic
+        this->volumes(index_elem, slot) += volume;
+        return;
+      }
+    }
+  }
+
+  // If table is full, set a flag that can be checked later
+  table_full_ = true;
+}
+
+void MaterialVolumes::add_volume_unsafe(
+  int index_elem, int index_material, double volume)
+{
+  // Linear probe
+  for (int attempt = 0; attempt < table_size_; ++attempt) {
+    int slot = (index_material + attempt) % table_size_;
+
+    // Read current material
+    int32_t current_val = this->materials(index_elem, slot);
+
+    // Found the desired material; accumulate volume
+    if (current_val == index_material) {
+      this->volumes(index_elem, slot) += volume;
+      return;
+    }
+
+    // Claim empty slot
+    if (current_val == EMPTY) {
+      this->materials(index_elem, slot) = index_material;
+      this->volumes(index_elem, slot) += volume;
+      return;
+    }
+  }
+
+  // If table is full, set a flag that can be checked later
+  table_full_ = true;
+}
+
+} // namespace detail
+
 //==============================================================================
 // Mesh implementation
 //==============================================================================
@@ -153,90 +268,235 @@ vector<double> Mesh::volumes() const
   return volumes;
 }
 
-int Mesh::material_volumes(
-  int n_sample, int bin, span<MaterialVolume> result, uint64_t* seed) const
+void Mesh::material_volumes(int nx, int ny, int nz, int table_size,
+  int32_t* materials, double* volumes) const
 {
-  vector<int32_t> materials;
-  vector<int64_t> hits;
+  if (mpi::master) {
+    header("MESH MATERIAL VOLUMES CALCULATION", 7);
+  }
+  write_message(7, "Number of rays (x) = {}", nx);
+  write_message(7, "Number of rays (y) = {}", ny);
+  write_message(7, "Number of rays (z) = {}", nz);
+  int64_t n_total = nx * ny + ny * nz + nx * nz;
+  write_message(7, "Total number of rays = {}", n_total);
+  write_message(
+    7, "Maximum number of materials per mesh element = {}", table_size);
+
+  Timer timer;
+  timer.start();
+
+  // Create object for keeping track of materials/volumes
+  detail::MaterialVolumes result(materials, volumes, table_size);
+
+  // Determine bounding box
+  auto bbox = this->bounding_box();
+
+  std::array<int, 3> n_rays = {nx, ny, nz};
+
+  // Determine effective width of rays
+  Position width((bbox.xmax - bbox.xmin) / nx, (bbox.ymax - bbox.ymin) / ny,
+    (bbox.zmax - bbox.zmin) / nz);
+
+  // Set flag for mesh being contained within model
+  bool out_of_model = false;
 
 #pragma omp parallel
   {
-    vector<int32_t> local_materials;
-    vector<int64_t> local_hits;
-    GeometryState geom;
+    // Preallocate vector for mesh indices and length fractions and particle
+    std::vector<int> bins;
+    std::vector<double> length_fractions;
+    Particle p;
 
-#pragma omp for
-    for (int i = 0; i < n_sample; ++i) {
-      // Get seed for i-th sample
-      uint64_t seed_i = future_seed(3 * i, *seed);
+    SourceSite site;
+    site.E = 1.0;
+    site.particle = ParticleType::neutron;
 
-      // Sample position and set geometry state
-      geom.r() = this->sample_element(bin, &seed_i);
-      geom.u() = {1., 0., 0.};
-      geom.n_coord() = 1;
+    for (int axis = 0; axis < 3; ++axis) {
+      // Set starting position and direction
+      site.r = {0.0, 0.0, 0.0};
+      site.r[axis] = bbox.min()[axis];
+      site.u = {0.0, 0.0, 0.0};
+      site.u[axis] = 1.0;
 
-      // If this location is not in the geometry at all, move on to next block
-      if (!exhaustive_find_cell(geom))
-        continue;
+      // Determine width of rays and number of rays in other directions
+      int ax1 = (axis + 1) % 3;
+      int ax2 = (axis + 2) % 3;
+      double min1 = bbox.min()[ax1];
+      double min2 = bbox.min()[ax2];
+      double d1 = width[ax1];
+      double d2 = width[ax2];
+      int n1 = n_rays[ax1];
+      int n2 = n_rays[ax2];
 
-      int i_material = geom.material();
+      // Divide rays in first direction over MPI processes by computing starting
+      // and ending indices
+      int min_work = n1 / mpi::n_procs;
+      int remainder = n1 % mpi::n_procs;
+      int n1_local = (mpi::rank < remainder) ? min_work + 1 : min_work;
+      int i1_start = mpi::rank * min_work + std::min(mpi::rank, remainder);
+      int i1_end = i1_start + n1_local;
 
-      // Check if this material was previously hit and if so, increment count
-      auto it =
-        std::find(local_materials.begin(), local_materials.end(), i_material);
-      if (it == local_materials.end()) {
-        local_materials.push_back(i_material);
-        local_hits.push_back(1);
-      } else {
-        local_hits[it - local_materials.begin()]++;
+      // Loop over rays on face of bounding box
+#pragma omp for collapse(2)
+      for (int i1 = i1_start; i1 < i1_end; ++i1) {
+        for (int i2 = 0; i2 < n2; ++i2) {
+          site.r[ax1] = min1 + (i1 + 0.5) * d1;
+          site.r[ax2] = min2 + (i2 + 0.5) * d2;
+
+          p.from_source(&site);
+
+          // Determine particle's location
+          if (!exhaustive_find_cell(p)) {
+            out_of_model = true;
+            continue;
+          }
+
+          // Set birth cell attribute
+          if (p.cell_born() == C_NONE)
+            p.cell_born() = p.lowest_coord().cell;
+
+          // Initialize last cells from current cell
+          for (int j = 0; j < p.n_coord(); ++j) {
+            p.cell_last(j) = p.coord(j).cell;
+          }
+          p.n_coord_last() = p.n_coord();
+
+          while (true) {
+            // Ray trace from r_start to r_end
+            Position r0 = p.r();
+            double max_distance = bbox.max()[axis] - r0[axis];
+
+            // Find the distance to the nearest boundary
+            BoundaryInfo boundary = distance_to_boundary(p);
+
+            // Advance particle forward
+            double distance = std::min(boundary.distance, max_distance);
+            p.move_distance(distance);
+
+            // Determine what mesh elements were crossed by particle
+            bins.clear();
+            length_fractions.clear();
+            this->bins_crossed(r0, p.r(), p.u(), bins, length_fractions);
+
+            // Add volumes to any mesh elements that were crossed
+            int i_material = p.material();
+            if (i_material != C_NONE) {
+              i_material = model::materials[i_material]->id();
+            }
+            for (int i_bin = 0; i_bin < bins.size(); i_bin++) {
+              int mesh_index = bins[i_bin];
+              double length = distance * length_fractions[i_bin];
+
+              // Add volume to result
+              result.add_volume(mesh_index, i_material, length * d1 * d2);
+            }
+
+            if (distance == max_distance)
+              break;
+
+            // cross next geometric surface
+            for (int j = 0; j < p.n_coord(); ++j) {
+              p.cell_last(j) = p.coord(j).cell;
+            }
+            p.n_coord_last() = p.n_coord();
+
+            // Set surface that particle is on and adjust coordinate levels
+            p.surface() = boundary.surface;
+            p.n_coord() = boundary.coord_level;
+
+            if (boundary.lattice_translation[0] != 0 ||
+                boundary.lattice_translation[1] != 0 ||
+                boundary.lattice_translation[2] != 0) {
+              // Particle crosses lattice boundary
+              cross_lattice(p, boundary);
+            } else {
+              // Particle crosses surface
+              const auto& surf {model::surfaces[p.surface_index()].get()};
+              p.cross_surface(*surf);
+            }
+          }
+        }
       }
-    } // omp for
-
-    // Reduce index/hits lists from each thread into a single copy
-    reduce_indices_hits(local_materials, local_hits, materials, hits);
-  } // omp parallel
-
-  // Advance RNG seed
-  advance_prn_seed(3 * n_sample, seed);
-
-  // Make sure span passed in is large enough
-  if (hits.size() > result.size()) {
-    return -1;
-  }
-
-  // Convert hits to fractions
-  for (int i_mat = 0; i_mat < hits.size(); ++i_mat) {
-    double fraction = double(hits[i_mat]) / n_sample;
-    result[i_mat].material = materials[i_mat];
-    result[i_mat].volume = fraction * this->volume(bin);
-  }
-  return hits.size();
-}
-
-vector<Mesh::MaterialVolume> Mesh::material_volumes(
-  int n_sample, int bin, uint64_t* seed) const
-{
-  // Create result vector with space for 8 pairs
-  vector<Mesh::MaterialVolume> result;
-  result.reserve(8);
-
-  int size = -1;
-  while (true) {
-    // Get material volumes
-    size = this->material_volumes(
-      n_sample, bin, {result.data(), result.data() + result.capacity()}, seed);
-
-    // If capacity was sufficient, resize the vector and return
-    if (size >= 0) {
-      result.resize(size);
-      break;
     }
-
-    // Otherwise, increase capacity of the vector
-    result.reserve(2 * result.capacity());
   }
 
-  return result;
+  // Check for errors
+  if (out_of_model) {
+    throw std::runtime_error("Mesh not fully contained in geometry.");
+  } else if (result.table_full()) {
+    throw std::runtime_error("Maximum number of materials for mesh material "
+                             "volume calculation insufficient.");
+  }
+
+  // Compute time for raytracing
+  double t_raytrace = timer.elapsed();
+
+#ifdef OPENMC_MPI
+  // Combine results from multiple MPI processes
+  if (mpi::n_procs > 1) {
+    int total = this->n_bins() * table_size;
+    if (mpi::master) {
+      // Allocate temporary buffer for receiving data
+      std::vector<int32_t> mats(total);
+      std::vector<double> vols(total);
+
+      for (int i = 1; i < mpi::n_procs; ++i) {
+        // Receive material indices and volumes from process i
+        MPI_Recv(
+          mats.data(), total, MPI_INT, i, i, mpi::intracomm, MPI_STATUS_IGNORE);
+        MPI_Recv(vols.data(), total, MPI_DOUBLE, i, i, mpi::intracomm,
+          MPI_STATUS_IGNORE);
+
+        // Combine with existing results; we can call thread unsafe version of
+        // add_volume because each thread is operating on a different element
+#pragma omp for
+        for (int index_elem = 0; index_elem < n_bins(); ++index_elem) {
+          for (int k = 0; k < table_size; ++k) {
+            int index = index_elem * table_size + k;
+            result.add_volume_unsafe(index_elem, mats[index], vols[index]);
+          }
+        }
+      }
+    } else {
+      // Send material indices and volumes to process 0
+      MPI_Send(materials, total, MPI_INT, 0, mpi::rank, mpi::intracomm);
+      MPI_Send(volumes, total, MPI_DOUBLE, 0, mpi::rank, mpi::intracomm);
+    }
+  }
+
+  // Report time for MPI communication
+  double t_mpi = timer.elapsed() - t_raytrace;
+#else
+  double t_mpi = 0.0;
+#endif
+
+  // Normalize based on known volumes of elements
+  for (int i = 0; i < this->n_bins(); ++i) {
+    // Estimated total volume in element i
+    double volume = 0.0;
+    for (int j = 0; j < table_size; ++j) {
+      volume += result.volumes(i, j);
+    }
+    // Renormalize volumes based on known volume of element i
+    double norm = this->volume(i) / volume;
+    for (int j = 0; j < table_size; ++j) {
+      result.volumes(i, j) *= norm;
+    }
+  }
+
+  // Show elapsed time
+  timer.stop();
+  double t_total = timer.elapsed();
+  double t_normalize = t_total - t_raytrace - t_mpi;
+  if (mpi::master) {
+    header("Timing Statistics", 7);
+    show_time("Total time elapsed", t_total);
+    show_time("Ray tracing", t_raytrace, 1);
+    show_time("Ray tracing (per ray)", t_raytrace / n_total, 1);
+    show_time("MPI communication", t_mpi, 1);
+    show_time("Normalization", t_normalize, 1);
+    std::fflush(stdout);
+  }
 }
 
 void Mesh::to_hdf5(hid_t group) const
@@ -616,8 +876,8 @@ xt::xtensor<double, 1> StructuredMesh::count_sites(
 }
 
 // raytrace through the mesh. The template class T will do the tallying.
-// A modern optimizing compiler can recognize the noop method of T and eleminate
-// that call entirely.
+// A modern optimizing compiler can recognize the noop method of T and
+// eliminate that call entirely.
 template<class T>
 void StructuredMesh::raytrace_mesh(
   Position r0, Position r1, const Direction& u, T tally) const
@@ -685,7 +945,8 @@ void StructuredMesh::raytrace_mesh(
       if (traveled_distance >= total_distance)
         return;
 
-      // If we have not reached r1, we have hit a surface. Tally outward current
+      // If we have not reached r1, we have hit a surface. Tally outward
+      // current
       tally.surface(ijk, k, distances[k].max_surface, false);
 
       // Update cell and calculate distance to next surface in k-direction.
@@ -697,15 +958,16 @@ void StructuredMesh::raytrace_mesh(
       // Check if we have left the interior of the mesh
       in_mesh = ((ijk[k] >= 1) && (ijk[k] <= shape_[k]));
 
-      // If we are still inside the mesh, tally inward current for the next cell
+      // If we are still inside the mesh, tally inward current for the next
+      // cell
       if (in_mesh)
         tally.surface(ijk, k, !distances[k].max_surface, true);
 
     } else { // not inside mesh
 
-      // For all directions outside the mesh, find the distance that we need to
-      // travel to reach the next surface. Use the largest distance, as only
-      // this will cross all outer surfaces.
+      // For all directions outside the mesh, find the distance that we need
+      // to travel to reach the next surface. Use the largest distance, as
+      // only this will cross all outer surfaces.
       int k_max {0};
       for (int k = 0; k < n; ++k) {
         if ((ijk[k] < 1 || ijk[k] > shape_[k]) &&
@@ -719,7 +981,8 @@ void StructuredMesh::raytrace_mesh(
       if (traveled_distance >= total_distance)
         return;
 
-      // Calculate the new cell index and update all distances to next surfaces.
+      // Calculate the new cell index and update all distances to next
+      // surfaces.
       ijk = get_indices(r0 + (traveled_distance + TINY_BIT) * u, in_mesh);
       for (int k = 0; k < n; ++k) {
         distances[k] =
@@ -1581,7 +1844,8 @@ double SphericalMesh::find_theta_crossing(
   const double b = r.dot(u) * cos_t_2 - r.z * u.z;
   const double c = r.dot(r) * cos_t_2 - r.z * r.z;
 
-  // if factor of s^2 is zero, direction of flight is parallel to theta surface
+  // if factor of s^2 is zero, direction of flight is parallel to theta
+  // surface
   if (std::abs(a) < FP_PRECISION) {
     // if b vanishes, direction of flight is within theta surface and crossing
     // is not possible
@@ -1589,7 +1853,8 @@ double SphericalMesh::find_theta_crossing(
       return INFTY;
 
     const double s = -0.5 * c / b;
-    // Check if solution is in positive direction of flight and has correct sign
+    // Check if solution is in positive direction of flight and has correct
+    // sign
     if ((s > l) && (std::signbit(r.z + s * u.z) == sgn))
       return s;
 
@@ -1943,22 +2208,25 @@ extern "C" int openmc_mesh_bounding_box(int32_t index, double* ll, double* ur)
   return 0;
 }
 
-extern "C" int openmc_mesh_material_volumes(int32_t index, int n_sample,
-  int bin, int result_size, void* result, int* hits, uint64_t* seed)
+extern "C" int openmc_mesh_material_volumes(int32_t index, int nx, int ny,
+  int nz, int table_size, int32_t* materials, double* volumes)
 {
-  auto result_ = reinterpret_cast<Mesh::MaterialVolume*>(result);
-  if (!result_) {
-    set_errmsg("Invalid result pointer passed to openmc_mesh_material_volumes");
-    return OPENMC_E_INVALID_ARGUMENT;
-  }
-
   if (int err = check_mesh(index))
     return err;
 
-  int n = model::meshes[index]->material_volumes(
-    n_sample, bin, {result_, result_ + result_size}, seed);
-  *hits = n;
-  return (n == -1) ? OPENMC_E_ALLOCATE : 0;
+  try {
+    model::meshes[index]->material_volumes(
+      nx, ny, nz, table_size, materials, volumes);
+  } catch (const std::exception& e) {
+    set_errmsg(e.what());
+    if (starts_with(e.what(), "Mesh")) {
+      return OPENMC_E_GEOMETRY;
+    } else {
+      return OPENMC_E_ALLOCATE;
+    }
+  }
+
+  return 0;
 }
 
 extern "C" int openmc_mesh_get_plot_bins(int32_t index, Position origin,
@@ -2394,7 +2662,8 @@ void MOABMesh::intersect_track(const moab::CartVect& start,
   moab::ErrorCode rval;
   vector<moab::EntityHandle> tris;
   // get all intersections with triangles in the tet mesh
-  // (distances are relative to the start point, not the previous intersection)
+  // (distances are relative to the start point, not the previous
+  // intersection)
   rval = kdtree_->ray_intersect_triangles(kdtree_root_, FP_COINCIDENT,
     dir.array(), start.array(), tris, hits, 0, track_len);
   if (rval != moab::MB_SUCCESS) {
@@ -2975,8 +3244,8 @@ void LibMesh::build_eqn_sys()
 void LibMesh::initialize()
 {
   if (!settings::libmesh_comm) {
-    fatal_error(
-      "Attempting to use an unstructured mesh without a libMesh communicator.");
+    fatal_error("Attempting to use an unstructured mesh without a libMesh "
+                "communicator.");
   }
 
   // assuming that unstructured meshes used in OpenMC are 3D
@@ -3276,8 +3545,8 @@ void read_meshes(pugi::xml_node root)
     // Check to make sure multiple meshes in the same file don't share IDs
     int id = std::stoi(get_node_value(node, "id"));
     if (contains(mesh_ids, id)) {
-      fatal_error(fmt::format(
-        "Two or more meshes use the same unique ID '{}' in the same input file",
+      fatal_error(fmt::format("Two or more meshes use the same unique ID "
+                              "'{}' in the same input file",
         id));
     }
     mesh_ids.insert(id);
diff --git a/src/particle.cpp b/src/particle.cpp
index c63c84674..c51011d6b 100644
--- a/src/particle.cpp
+++ b/src/particle.cpp
@@ -293,7 +293,6 @@ void Particle::event_cross_surface()
     event() = TallyEvent::LATTICE;
   } else {
     // Particle crosses surface
-    // TODO: off-by-one
     const auto& surf {model::surfaces[surface_index()].get()};
     // If BC, add particle to surface source before crossing surface
     if (surf->surf_source_ && surf->bc_) {
diff --git a/tests/unit_tests/test_lib.py b/tests/unit_tests/test_lib.py
index 64c16c238..8ab35335f 100644
--- a/tests/unit_tests/test_lib.py
+++ b/tests/unit_tests/test_lib.py
@@ -601,18 +601,18 @@ def test_regular_mesh(lib_init):
     mesh.set_parameters(lower_left=(-0.63, -0.63, -0.5),
                         upper_right=(0.63, 0.63, 0.5))
     vols = mesh.material_volumes()
-    assert len(vols) == 4
-    for elem_vols in vols:
+    assert vols.num_elements == 4
+    for i in range(vols.num_elements):
+        elem_vols = vols.by_element(i)
         assert sum(f[1] for f in elem_vols) == pytest.approx(1.26 * 1.26 / 4)
 
-    # If the mesh extends beyond the boundaries of the model, the volumes should
-    # still be reported correctly
+    # If the mesh extends beyond the boundaries of the model, we should get a
+    # GeometryError
     mesh.dimension = (1, 1, 1)
     mesh.set_parameters(lower_left=(-1.0, -1.0, -0.5),
                         upper_right=(1.0, 1.0, 0.5))
-    vols = mesh.material_volumes(100_000)
-    for elem_vols in vols:
-        assert sum(f[1] for f in elem_vols) == pytest.approx(1.26 * 1.26, 1e-2)
+    with pytest.raises(exc.GeometryError, match="not fully contained"):
+        vols = mesh.material_volumes()
 
 
 def test_regular_mesh_get_plot_bins(lib_init):
@@ -683,11 +683,11 @@ def test_rectilinear_mesh(lib_init):
     mesh.set_grid([-w/2, -w/4, w/2], [-w/2, -w/4, w/2], [-0.5, 0.5])
 
     vols = mesh.material_volumes()
-    assert len(vols) == 4
-    assert sum(f[1] for f in vols[0]) == pytest.approx(w/4 * w/4)
-    assert sum(f[1] for f in vols[1]) == pytest.approx(w/4 * 3*w/4)
-    assert sum(f[1] for f in vols[2]) == pytest.approx(3*w/4 * w/4)
-    assert sum(f[1] for f in vols[3]) == pytest.approx(3*w/4 * 3*w/4)
+    assert vols.num_elements == 4
+    assert sum(f[1] for f in vols.by_element(0)) == pytest.approx(w/4 * w/4)
+    assert sum(f[1] for f in vols.by_element(1)) == pytest.approx(w/4 * 3*w/4)
+    assert sum(f[1] for f in vols.by_element(2)) == pytest.approx(3*w/4 * w/4)
+    assert sum(f[1] for f in vols.by_element(3)) == pytest.approx(3*w/4 * 3*w/4)
 
 
 def test_cylindrical_mesh(lib_init):
@@ -737,11 +737,11 @@ def test_cylindrical_mesh(lib_init):
     mesh.set_grid(r_grid, phi_grid, z_grid)
 
     vols = mesh.material_volumes()
-    assert len(vols) == 6
+    assert vols.num_elements == 6
     for i in range(0, 6, 2):
-        assert sum(f[1] for f in vols[i]) == pytest.approx(pi * 0.25**2 / 3)
+        assert sum(f[1] for f in vols.by_element(i)) == pytest.approx(pi * 0.25**2 / 3)
     for i in range(1, 6, 2):
-        assert sum(f[1] for f in vols[i]) == pytest.approx(pi * (0.5**2 - 0.25**2) / 3)
+        assert sum(f[1] for f in vols.by_element(i)) == pytest.approx(pi * (0.5**2 - 0.25**2) / 3)
 
 
 def test_spherical_mesh(lib_init):
@@ -795,14 +795,14 @@ def test_spherical_mesh(lib_init):
     mesh.set_grid(r_grid, theta_grid, phi_grid)
 
     vols = mesh.material_volumes()
-    assert len(vols) == 12
+    assert vols.num_elements == 12
     d_theta = theta_grid[1] - theta_grid[0]
     d_phi = phi_grid[1] - phi_grid[0]
     for i in range(0, 12, 2):
-        assert sum(f[1] for f in vols[i]) == pytest.approx(
+        assert sum(f[1] for f in vols.by_element(i)) == pytest.approx(
             0.25**3 / 3 * d_theta * d_phi * 2/pi)
     for i in range(1, 12, 2):
-        assert sum(f[1] for f in vols[i]) == pytest.approx(
+        assert sum(f[1] for f in vols.by_element(i)) == pytest.approx(
             (0.5**3 - 0.25**3) / 3 * d_theta * d_phi * 2/pi)
 
 
diff --git a/tests/unit_tests/test_mesh.py b/tests/unit_tests/test_mesh.py
index 3f307dda8..f1f5e9f67 100644
--- a/tests/unit_tests/test_mesh.py
+++ b/tests/unit_tests/test_mesh.py
@@ -1,4 +1,5 @@
 from math import pi
+from tempfile import TemporaryDirectory
 from pathlib import Path
 
 import numpy as np
@@ -505,7 +506,7 @@ def test_mesh_get_homogenized_materials():
     mesh.lower_left = (-1., -1., -1.)
     mesh.upper_right = (1., 1., 1.)
     mesh.dimension = (3, 1, 1)
-    m1, m2, m3 = mesh.get_homogenized_materials(model, n_samples=1_000_000)
+    m1, m2, m3 = mesh.get_homogenized_materials(model, n_samples=10_000)
 
     # Left mesh element should be only Fe56
     assert m1.get_mass_density('Fe56') == pytest.approx(5.0)
@@ -521,7 +522,7 @@ def test_mesh_get_homogenized_materials():
     mesh_void.lower_left = (0.5, 0.5, -1.)
     mesh_void.upper_right = (1.5, 1.5, 1.)
     mesh_void.dimension = (1, 1, 1)
-    m4, = mesh_void.get_homogenized_materials(model, n_samples=1_000_000)
+    m4, = mesh_void.get_homogenized_materials(model, n_samples=(100, 100, 0))
 
     # Mesh element that overlaps void should have half density
     assert m4.get_mass_density('H1') == pytest.approx(0.5, rel=1e-2)
@@ -531,3 +532,86 @@ def test_mesh_get_homogenized_materials():
     m5, = mesh_void.get_homogenized_materials(
         model, n_samples=1000, include_void=False)
     assert m5.get_mass_density('H1') == pytest.approx(1.0)
+
+
+@pytest.fixture
+def sphere_model():
+    # Model with three materials separated by planes x=0 and z=0
+    mats = []
+    for i in range(3):
+        mat = openmc.Material()
+        mat.add_nuclide('H1', 1.0)
+        mat.set_density('g/cm3', float(i + 1))
+        mats.append(mat)
+
+    sph = openmc.Sphere(r=25.0, boundary_type='vacuum')
+    x0 = openmc.XPlane(0.0)
+    z0 = openmc.ZPlane(0.0)
+    cell1 = openmc.Cell(fill=mats[0], region=-sph & +x0 & +z0)
+    cell2 = openmc.Cell(fill=mats[1], region=-sph & -x0 & +z0)
+    cell3 = openmc.Cell(fill=mats[2], region=-sph & -z0)
+    model = openmc.Model()
+    model.geometry = openmc.Geometry([cell1, cell2, cell3])
+    model.materials = openmc.Materials(mats)
+    return model
+
+
+@pytest.mark.parametrize("n_rays", [1000, (10, 10, 0), (10, 0, 10), (0, 10, 10)])
+def test_material_volumes_regular_mesh(sphere_model, n_rays):
+    """Test the material_volumes method on a regular mesh"""
+    mesh = openmc.RegularMesh()
+    mesh.lower_left = (-1., -1., -1.)
+    mesh.upper_right = (1., 1., 1.)
+    mesh.dimension = (2, 2, 2)
+    volumes = mesh.material_volumes(sphere_model, n_rays)
+    mats = sphere_model.materials
+    np.testing.assert_almost_equal(volumes[mats[0].id], [0., 0., 0., 0., 0., 1., 0., 1.])
+    np.testing.assert_almost_equal(volumes[mats[1].id], [0., 0., 0., 0., 1., 0., 1., 0.])
+    np.testing.assert_almost_equal(volumes[mats[2].id], [1., 1., 1., 1., 0., 0., 0., 0.])
+    assert volumes.by_element(4) == [(mats[1].id, 1.)]
+    assert volumes.by_element(0) == [(mats[2].id, 1.)]
+
+
+def test_material_volumes_cylindrical_mesh(sphere_model):
+    """Test the material_volumes method on a cylindrical mesh"""
+    cyl_mesh = openmc.CylindricalMesh(
+        [0., 1.], [-1., 0., 1.,], [0.0, pi/4, 3*pi/4, 5*pi/4, 7*pi/4, 2*pi])
+    volumes = cyl_mesh.material_volumes(sphere_model, (0, 100, 100))
+    mats = sphere_model.materials
+    np.testing.assert_almost_equal(volumes[mats[0].id], [
+        0., 0., 0., 0., 0.,
+        pi/8, pi/8, 0., pi/8, pi/8
+    ])
+    np.testing.assert_almost_equal(volumes[mats[1].id], [
+        0., 0., 0., 0., 0.,
+        0., pi/8, pi/4, pi/8, 0.
+    ])
+    np.testing.assert_almost_equal(volumes[mats[2].id], [
+        pi/8, pi/4, pi/4, pi/4, pi/8,
+        0., 0., 0., 0., 0.
+    ])
+
+
+def test_mesh_material_volumes_serialize():
+    materials = np.array([
+        [1, -1, -2],
+        [-1, -2, -2],
+        [2, 1, -2],
+        [2, -2, -2]
+    ])
+    volumes = np.array([
+        [0.5, 0.5, 0.0],
+        [1.0, 0.0, 0.0],
+        [0.5, 0.5, 0.0],
+        [1.0, 0.0, 0.0]
+    ])
+    volumes = openmc.MeshMaterialVolumes(materials, volumes)
+    with TemporaryDirectory() as tmpdir:
+        path = f'{tmpdir}/volumes.npz'
+        volumes.save(path)
+        new_volumes = openmc.MeshMaterialVolumes.from_npz(path)
+
+    assert new_volumes.by_element(0) == [(1, 0.5), (None, 0.5)]
+    assert new_volumes.by_element(1) == [(None, 1.0)]
+    assert new_volumes.by_element(2) == [(2, 0.5), (1, 0.5)]
+    assert new_volumes.by_element(3) == [(2, 1.0)]

From c26fde6665594620720c8d586698e18bbbb137ad Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Fri, 28 Feb 2025 15:00:40 +0100
Subject: [PATCH 2263/2654] Adding per kg as unit option on material functions
 (#3329)

Co-authored-by: Jon Shimwell <jon@proximafusion.com>
---
 openmc/material.py                | 28 +++++++++++++++++-----------
 tests/unit_tests/test_material.py |  5 +++++
 2 files changed, 22 insertions(+), 11 deletions(-)

diff --git a/openmc/material.py b/openmc/material.py
index 64458f571..41780ce36 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -300,7 +300,7 @@ class Material(IDManagerMixin):
         clip_tolerance : float
             Maximum fraction of :math:`\sum_i x_i p_i` for discrete
             distributions that will be discarded.
-        units : {'Bq', 'Bq/g', 'Bq/cm3'}
+        units : {'Bq', 'Bq/g', 'Bq/kg', 'Bq/cm3'}
             Specifies the units on the integral of the distribution.
         volume : float, optional
             Volume of the material. If not passed, defaults to using the
@@ -313,7 +313,7 @@ class Material(IDManagerMixin):
             is the total intensity of the photon source in the requested units.
 
         """
-        cv.check_value('units', units, {'Bq', 'Bq/g', 'Bq/cm3'})
+        cv.check_value('units', units, {'Bq', 'Bq/g', 'Bq/kg', 'Bq/cm3'})
         if units == 'Bq':
             multiplier = volume if volume is not None else self.volume
             if multiplier is None:
@@ -322,6 +322,8 @@ class Material(IDManagerMixin):
             multiplier = 1
         elif units == 'Bq/g':
             multiplier = 1.0 / self.get_mass_density()
+        elif units == 'Bq/kg':
+            multiplier = 1000.0 / self.get_mass_density()
 
         dists = []
         probs = []
@@ -1132,16 +1134,16 @@ class Material(IDManagerMixin):
     def get_activity(self, units: str = 'Bq/cm3', by_nuclide: bool = False,
                      volume: float | None = None) -> dict[str, float] | float:
         """Returns the activity of the material or for each nuclide in the
-        material in units of [Bq], [Bq/g] or [Bq/cm3].
+        material in units of [Bq], [Bq/g], [Bq/kg] or [Bq/cm3].
 
         .. versionadded:: 0.13.1
 
         Parameters
         ----------
-        units : {'Bq', 'Bq/g', 'Bq/cm3'}
+        units : {'Bq', 'Bq/g', 'Bq/kg', 'Bq/cm3'}
             Specifies the type of activity to return, options include total
-            activity [Bq], specific [Bq/g] or volumetric activity [Bq/cm3].
-            Default is volumetric activity [Bq/cm3].
+            activity [Bq], specific [Bq/g, Bq/kg] or volumetric activity
+            [Bq/cm3]. Default is volumetric activity [Bq/cm3].
         by_nuclide : bool
             Specifies if the activity should be returned for the material as a
             whole or per nuclide. Default is False.
@@ -1159,7 +1161,7 @@ class Material(IDManagerMixin):
             of the material is returned as a float.
         """
 
-        cv.check_value('units', units, {'Bq', 'Bq/g', 'Bq/cm3'})
+        cv.check_value('units', units, {'Bq', 'Bq/g', 'Bq/kg', 'Bq/cm3'})
         cv.check_type('by_nuclide', by_nuclide, bool)
 
         if units == 'Bq':
@@ -1168,6 +1170,8 @@ class Material(IDManagerMixin):
             multiplier = 1
         elif units == 'Bq/g':
             multiplier = 1.0 / self.get_mass_density()
+        elif units == 'Bq/kg':
+            multiplier = 1000.0 / self.get_mass_density()
 
         activity = {}
         for nuclide, atoms_per_bcm in self.get_nuclide_atom_densities().items():
@@ -1179,15 +1183,15 @@ class Material(IDManagerMixin):
     def get_decay_heat(self, units: str = 'W', by_nuclide: bool = False,
                        volume: float | None = None) -> dict[str, float] | float:
         """Returns the decay heat of the material or for each nuclide in the
-        material in units of [W], [W/g] or [W/cm3].
+        material in units of [W], [W/g], [W/kg] or [W/cm3].
 
         .. versionadded:: 0.13.3
 
         Parameters
         ----------
-        units : {'W', 'W/g', 'W/cm3'}
+        units : {'W', 'W/g', 'W/kg', 'W/cm3'}
             Specifies the units of decay heat to return. Options include total
-            heat [W], specific [W/g] or volumetric heat [W/cm3].
+            heat [W], specific [W/g, W/kg] or volumetric heat [W/cm3].
             Default is total heat [W].
         by_nuclide : bool
             Specifies if the decay heat should be returned for the material as a
@@ -1206,7 +1210,7 @@ class Material(IDManagerMixin):
             of the material is returned as a float.
         """
 
-        cv.check_value('units', units, {'W', 'W/g', 'W/cm3'})
+        cv.check_value('units', units, {'W', 'W/g', 'W/kg', 'W/cm3'})
         cv.check_type('by_nuclide', by_nuclide, bool)
 
         if units == 'W':
@@ -1215,6 +1219,8 @@ class Material(IDManagerMixin):
             multiplier = 1
         elif units == 'W/g':
             multiplier = 1.0 / self.get_mass_density()
+        elif units == 'W/kg':
+            multiplier = 1000.0 / self.get_mass_density()
 
         decayheat = {}
         for nuclide, atoms_per_bcm in self.get_nuclide_atom_densities().items():
diff --git a/tests/unit_tests/test_material.py b/tests/unit_tests/test_material.py
index c6a07cff9..ec55a7756 100644
--- a/tests/unit_tests/test_material.py
+++ b/tests/unit_tests/test_material.py
@@ -577,6 +577,7 @@ def test_get_activity():
     m4.add_nuclide("H3", 1)
     m4.set_density('g/cm3', 1.5)
     assert pytest.approx(m4.get_activity(units='Bq/g')) == 355978108155965.94  # [Bq/g]
+    assert pytest.approx(m4.get_activity(units='Bq/kg')) == 355978108155965940  # [Bq/kg]
     assert pytest.approx(m4.get_activity(units='Bq/g', by_nuclide=True)["H3"]) == 355978108155965.94  # [Bq/g]
     assert pytest.approx(m4.get_activity(units='Bq/cm3')) == 355978108155965.94*3/2 # [Bq/cc]
     assert pytest.approx(m4.get_activity(units='Bq/cm3', by_nuclide=True)["H3"]) == 355978108155965.94*3/2 # [Bq/cc]
@@ -626,6 +627,7 @@ def test_get_decay_heat():
     m4.add_nuclide("I135", 1)
     m4.set_density('g/cm3', 1.5)
     assert pytest.approx(m4.get_decay_heat(units='W/g')) == 40175.15720273193 # [W/g]
+    assert pytest.approx(m4.get_decay_heat(units='W/kg')) == 40175157.20273193 # [W/kg]
     assert pytest.approx(m4.get_decay_heat(units='W/g', by_nuclide=True)["I135"]) == 40175.15720273193 # [W/g]
     assert pytest.approx(m4.get_decay_heat(units='W/cm3')) == 40175.15720273193*3/2 # [W/cc]
     assert pytest.approx(m4.get_decay_heat(units='W/cm3', by_nuclide=True)["I135"]) == 40175.15720273193*3/2 #[W/cc]
@@ -656,6 +658,9 @@ def test_decay_photon_energy():
     assert src.p * 2.0 == pytest.approx(src_v2.p)
     src_per_cm3 = m.get_decay_photon_energy(units='Bq/cm3', volume=100.0)
     assert (src.p == src_per_cm3.p).all()
+    src_per_bqg = m.get_decay_photon_energy(units='Bq/g')
+    src_per_bqkg = m.get_decay_photon_energy(units='Bq/kg')
+    assert pytest.approx(src_per_bqg.integral()) == src_per_bqkg.integral() / 1000.
 
     # If we add Xe135 (which has a tabular distribution), the photon source
     # should be a mixture distribution

From 8fb48f125fd252a3d7d50c1cee500460bd9c3959 Mon Sep 17 00:00:00 2001
From: rzehumat <49885819+rzehumat@users.noreply.github.com>
Date: Fri, 28 Feb 2025 17:38:31 +0100
Subject: [PATCH 2264/2654] Manually fix broken links (#3331)

---
 docs/source/devguide/styleguide.rst    | 2 +-
 docs/source/devguide/tests.rst         | 6 +++---
 docs/source/devguide/workflow.rst      | 2 +-
 docs/source/index.rst                  | 2 +-
 docs/source/io_formats/settings.rst    | 2 +-
 docs/source/methods/cross_sections.rst | 4 ++--
 docs/source/methods/geometry.rst       | 2 +-
 docs/source/methods/photon_physics.rst | 8 ++++----
 docs/source/usersguide/data.rst        | 6 +++---
 docs/source/usersguide/parallel.rst    | 2 +-
 openmc/examples.py                     | 4 ++--
 openmc/lib/weight_windows.py           | 2 +-
 openmc/mgxs/__init__.py                | 2 +-
 13 files changed, 22 insertions(+), 22 deletions(-)

diff --git a/docs/source/devguide/styleguide.rst b/docs/source/devguide/styleguide.rst
index b266f5f02..b8ec2d40f 100644
--- a/docs/source/devguide/styleguide.rst
+++ b/docs/source/devguide/styleguide.rst
@@ -55,7 +55,7 @@ Source Files
 Use a ``.cpp`` suffix for code files and ``.h`` for header files.
 
 Header files should always use include guards with the following style (See
-`SF.8 <http://isocpp.github.io/CppCoreGuidelines/CppCoreGuidelines#sf8-use-include-guards-for-all-h-files>`_):
+`SF.8 <https://isocpp.github.io/CppCoreGuidelines/CppCoreGuidelines#Rs-guards>`_):
 
 .. code-block:: C++
 
diff --git a/docs/source/devguide/tests.rst b/docs/source/devguide/tests.rst
index 3665ad9d4..f2e39441a 100644
--- a/docs/source/devguide/tests.rst
+++ b/docs/source/devguide/tests.rst
@@ -87,9 +87,9 @@ that, consider the following:
 Debugging Tests in CI
 ---------------------
 
-.. _tmate: <https://github.com/mxschmitt/action-tmate?tab=readme-ov-file#debug-your-github-actions-by-using-tmate>`_
-
-Tests can be debugged in CI using a feature called `tmate`_. CI debugging can be
+Tests can be debugged in CI using a feature called 
+`tmate <https://github.com/mxschmitt/action-tmate?tab=readme-ov-file#debug-your-github-actions-by-using-tmate>`_. 
+CI debugging can be
 enabled by including "[gha-debug]" in the commit message. When the test fails, a
 link similar to the one shown below will be provided in the GitHub Actions
 output after failure occurs. Logging into the provided link will allow you to
diff --git a/docs/source/devguide/workflow.rst b/docs/source/devguide/workflow.rst
index d6a3c6ba4..d9d36c161 100644
--- a/docs/source/devguide/workflow.rst
+++ b/docs/source/devguide/workflow.rst
@@ -126,7 +126,7 @@ reinstalling it). While the same effect can be achieved using the
 :envvar:`PYTHONPATH` environment variable, this is generally discouraged as it
 can interfere with virtual environments.
 
-.. _git: http://git-scm.com/
+.. _git: https://git-scm.com/
 .. _GitHub: https://github.com/
 .. _git flow: https://nvie.com/git-model
 .. _valgrind: https://www.valgrind.org/
diff --git a/docs/source/index.rst b/docs/source/index.rst
index a01055374..97666e7c3 100644
--- a/docs/source/index.rst
+++ b/docs/source/index.rst
@@ -12,7 +12,7 @@ files produced by NJOY. Parallelism is enabled via a hybrid MPI and OpenMP
 programming model.
 
 OpenMC was originally developed by members of the `Computational Reactor Physics
-Group <http://crpg.mit.edu>`_ at the `Massachusetts Institute of Technology
+Group <https://crpg.mit.edu>`_ at the `Massachusetts Institute of Technology
 <https://web.mit.edu>`_ starting in 2011. Various universities, laboratories,
 and other organizations now contribute to the development of OpenMC. For more
 information on OpenMC, feel free to post a message on the `OpenMC Discourse
diff --git a/docs/source/io_formats/settings.rst b/docs/source/io_formats/settings.rst
index 3ddba1d5e..0c225b1ed 100644
--- a/docs/source/io_formats/settings.rst
+++ b/docs/source/io_formats/settings.rst
@@ -238,7 +238,7 @@ based on the recommended value in LA-UR-14-24530_.
 
   .. note:: This element is not used in the multi-group :ref:`energy_mode`.
 
-.. _LA-UR-14-24530: https://laws.lanl.gov/vhosts/mcnp.lanl.gov/pdf_files/la-ur-14-24530.pdf
+.. _LA-UR-14-24530: https://mcnp.lanl.gov/pdf_files/TechReport_2014_LANL_LA-UR-14-24530_Brown.pdf
 
 ---------------------------
 ``<material_cell_offsets>``
diff --git a/docs/source/methods/cross_sections.rst b/docs/source/methods/cross_sections.rst
index 21a1ef8df..ad64b0e38 100644
--- a/docs/source/methods/cross_sections.rst
+++ b/docs/source/methods/cross_sections.rst
@@ -295,11 +295,11 @@ or even isotropic scattering.
 .. _Josey: https://doi.org/10.1016/j.jcp.2015.08.013
 .. _WMP Library: https://github.com/mit-crpg/WMP_Library
 .. _MCNP: https://mcnp.lanl.gov
-.. _Serpent: http://montecarlo.vtt.fi
+.. _Serpent: https://serpent.vtt.fi/serpent/
 .. _NJOY: https://www.njoy21.io/NJOY21/
 .. _ENDF/B data: https://www.nndc.bnl.gov/endf-b8.0/
 .. _Leppanen: https://doi.org/10.1016/j.anucene.2009.03.019
-.. _algorithms: http://ab-initio.mit.edu/wiki/index.php/Faddeeva_Package
+.. _algorithms: http://ab-initio.mit.edu/faddeeva/
 .. _NCrystal: https://github.com/mctools/ncrystal
 .. _NCrystal paper: https://doi.org/10.1016/j.cpc.2019.07.015
 .. _using plugins: https://doi.org/10.1016/j.cpc.2021.108082
diff --git a/docs/source/methods/geometry.rst b/docs/source/methods/geometry.rst
index b282ffdee..fa8bb3cf7 100644
--- a/docs/source/methods/geometry.rst
+++ b/docs/source/methods/geometry.rst
@@ -1066,5 +1066,5 @@ surface is known as in :ref:`reflection`.
 .. _constructive solid geometry: https://en.wikipedia.org/wiki/Constructive_solid_geometry
 .. _surfaces: https://en.wikipedia.org/wiki/Surface
 .. _MCNP: https://mcnp.lanl.gov
-.. _Serpent: http://montecarlo.vtt.fi
+.. _Serpent: https://serpent.vtt.fi/serpent/
 .. _Monte Carlo Performance benchmark: https://github.com/mit-crpg/benchmarks/tree/master/mc-performance/openmc
diff --git a/docs/source/methods/photon_physics.rst b/docs/source/methods/photon_physics.rst
index bc912b943..42c68431a 100644
--- a/docs/source/methods/photon_physics.rst
+++ b/docs/source/methods/photon_physics.rst
@@ -1059,16 +1059,16 @@ emitted photon.
 
 .. _anomalous scattering: http://pd.chem.ucl.ac.uk/pdnn/diff1/anomscat.htm
 
-.. _Kahn's rejection method: https://laws.lanl.gov/vhosts/mcnp.lanl.gov/pdf_files/aecu-3259_kahn.pdf
+.. _Kahn's rejection method: https://mcnp.lanl.gov/pdf_files/TechReport_1956_RC_AECU-3259RM-1237-AEC_Kahn.pdf
 
 .. _Klein-Nishina: https://en.wikipedia.org/wiki/Klein%E2%80%93Nishina_formula
 
-.. _LA-UR-04-0487: https://laws.lanl.gov/vhosts/mcnp.lanl.gov/pdf_files/la-ur-04-0487.pdf
+.. _LA-UR-04-0487: https://mcnp.lanl.gov/pdf_files/TechReport_2004_LANL_LA-UR-04-0487_Sood.pdf
 
-.. _LA-UR-04-0488: https://laws.lanl.gov/vhosts/mcnp.lanl.gov/pdf_files/la-ur-04-0488.pdf
+.. _LA-UR-04-0488: https://mcnp.lanl.gov/pdf_files/TechReport_2004_LANL_LA-UR-04-0488_SoodWhite.pdf
 
 .. _Kaltiaisenaho: https://aaltodoc.aalto.fi/bitstream/handle/123456789/21004/master_Kaltiaisenaho_Toni_2016.pdf
 
-.. _Salvat: https://www.oecd-nea.org/globalsearch/download.php?doc=77434
+.. _Salvat: https://doi.org/10.1787/32da5043-en
 
 .. _Sternheimer: https://doi.org/10.1103/PhysRevB.26.6067
diff --git a/docs/source/usersguide/data.rst b/docs/source/usersguide/data.rst
index 6af297338..a1611de63 100644
--- a/docs/source/usersguide/data.rst
+++ b/docs/source/usersguide/data.rst
@@ -12,7 +12,7 @@ responsible for specifying one or more of the following:
   file (commonly named ``cross_sections.xml``) contains a listing of other data
   files, in particular neutron cross sections, photon cross sections, and
   windowed multipole data. Each of those files, in turn, uses a `HDF5
-  <https://support.hdfgroup.org/HDF5/>`_ format (see :ref:`io_nuclear_data`). In
+  <https://support.hdfgroup.org/documentation/index.html>`_ format (see :ref:`io_nuclear_data`). In
   order to run transport simulations with continuous-energy cross sections, you
   need to specify this file.
 
@@ -291,12 +291,12 @@ distributed with any pre-existing multigroup cross section libraries. However,
 if a multigroup library file is downloaded or generated, the path to the file
 needs to be specified as described in :ref:`usersguide_data_runtime`. For an
 example of how to create a multigroup library, see the `example notebook
-<../examples/mg-mode-part-i.ipynb>`__.
+<https://nbviewer.org/github/openmc-dev/openmc-notebooks/blob/main/mgxs-part-i.ipynb>`_.
 
 .. _NJOY: http://www.njoy21.io/
 .. _NNDC: https://www.nndc.bnl.gov/endf
 .. _MCNP: https://mcnp.lanl.gov
-.. _Serpent: http://montecarlo.vtt.fi
+.. _Serpent: https://serpent.vtt.fi/serpent/
 .. _ENDF/B: https://www.nndc.bnl.gov/endf-b7.1/acefiles.html
 .. _JEFF: https://www.oecd-nea.org/dbdata/jeff/jeff33/
 .. _TENDL: https://tendl.web.psi.ch/tendl_2017/tendl2017.html
diff --git a/docs/source/usersguide/parallel.rst b/docs/source/usersguide/parallel.rst
index be4189604..e00ed5e97 100644
--- a/docs/source/usersguide/parallel.rst
+++ b/docs/source/usersguide/parallel.rst
@@ -102,4 +102,4 @@ performance on a machine when running in parallel:
      settings.output = {'tallies': False}
 
 .. _Haswell-EP: http://www.anandtech.com/show/8423/intel-xeon-e5-version-3-up-to-18-haswell-ep-cores-/4
-.. _bound: https://wiki.mpich.org/mpich/index.php/Using_the_Hydra_Process_Manager#Process-core_Binding
+.. _bound: https://github.com/pmodels/mpich/blob/main/doc/wiki/how_to/Using_the_Hydra_Process_Manager.md#process-core-binding
diff --git a/openmc/examples.py b/openmc/examples.py
index 538b6ea4a..8d4bd1f04 100644
--- a/openmc/examples.py
+++ b/openmc/examples.py
@@ -11,7 +11,7 @@ def pwr_pin_cell() -> openmc.Model:
 
     This model is a single fuel pin with 2.4 w/o enriched UO2 corresponding to a
     beginning-of-cycle condition and borated water. The specifications are from
-    the `BEAVRS <http://crpg.mit.edu/research/beavrs>`_ benchmark. Note that the
+    the `BEAVRS <https://crpg.mit.edu/research/beavrs>`_ benchmark. Note that the
     number of particles/batches is initially set very low for testing purposes.
 
     Returns
@@ -442,7 +442,7 @@ def pwr_assembly() -> openmc.Model:
     """Create a PWR assembly model.
 
     This model is a reflected 17x17 fuel assembly from the the `BEAVRS
-    <http://crpg.mit.edu/research/beavrs>`_ benchmark. The fuel is 2.4 w/o
+    <https://crpg.mit.edu/research/beavrs>`_ benchmark. The fuel is 2.4 w/o
     enriched UO2 corresponding to a beginning-of-cycle condition. Note that the
     number of particles/batches is initially set very low for testing purposes.
 
diff --git a/openmc/lib/weight_windows.py b/openmc/lib/weight_windows.py
index d92f01917..ed442d33f 100644
--- a/openmc/lib/weight_windows.py
+++ b/openmc/lib/weight_windows.py
@@ -276,7 +276,7 @@ class WeightWindows(_FortranObjectWithID):
     def update_magic(self, tally, value='mean', threshold=1.0, ratio=5.0):
         """Update weight window values using the MAGIC method
 
-        Reference: https://inis.iaea.org/search/48022314
+        Reference: https://inis.iaea.org/records/231pm-zzy35
 
         Parameters
         ----------
diff --git a/openmc/mgxs/__init__.py b/openmc/mgxs/__init__.py
index 4f12a8fb4..6a29a8383 100644
--- a/openmc/mgxs/__init__.py
+++ b/openmc/mgxs/__init__.py
@@ -23,7 +23,7 @@ GROUP_STRUCTURES = {}
 - activation_ energy group structures "VITAMIN-J-42", "VITAMIN-J-175",
   "TRIPOLI-315", "CCFE-709_" and "UKAEA-1102_"
 
-.. _CASMO: https://www.studsvik.com/SharepointFiles/CASMO-5%20Development%20and%20Applications.pdf
+.. _CASMO: http://large.stanford.edu/courses/2013/ph241/dalvi1/docs/c5.physor2006.pdf
 .. _SCALE44: https://www-nds.iaea.org/publications/indc/indc-czr-0001.pdf
 .. _SCALE252: https://oecd-nea.org/science/wpncs/amct/workingarea/meeting2013/EGAMCT2013_08.pdf
 .. _MPACT: https://vera.ornl.gov/mpact/

From 39ad29d82e429b5e6f18cfb5f369bbfdddd93ed5 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 28 Feb 2025 13:50:35 -0600
Subject: [PATCH 2265/2654] Fix reading of horizontal field of view for
 ray-traced plots (#3330)

Co-authored-by: Patrick Shriwise <pshriwise@gmail.com>
---
 openmc/plots.py                               | 78 +++++++++++++++++++
 src/plot.cpp                                  | 12 +--
 .../plot_projections/results_true.dat         |  2 +-
 3 files changed, 86 insertions(+), 6 deletions(-)

diff --git a/openmc/plots.py b/openmc/plots.py
index 9c1e31575..40fcf0c78 100644
--- a/openmc/plots.py
+++ b/openmc/plots.py
@@ -1312,6 +1312,50 @@ class WireframeRayTracePlot(RayTracePlot):
 
     Attributes
     ----------
+    id : int
+        Unique identifier
+    name : str
+        Name of the plot
+    pixels : Iterable of int
+        Number of pixels to use in each direction
+    filename : str
+        Path to write the plot to
+    color_by : {'cell', 'material'}
+        Indicate whether the plot should be colored by cell or by material
+    background : Iterable of int or str
+        Color of the background
+    mask_components : Iterable of openmc.Cell or openmc.Material or int
+        The cells or materials (or corresponding IDs) to mask
+    mask_background : Iterable of int or str
+        Color to apply to all cells/materials listed in mask_components
+    show_overlaps : bool
+        Indicate whether or not overlapping regions are shown
+    overlap_color : Iterable of int or str
+        Color to apply to overlapping regions
+    colors : dict
+        Dictionary indicating that certain cells/materials should be
+        displayed with a particular color. The keys can be of type
+        :class:`~openmc.Cell`, :class:`~openmc.Material`, or int (ID for a
+        cell/material).
+    level : int
+        Universe depth to plot at
+    horizontal_field_of_view : float
+        Field of view horizontally, in units of degrees, defaults to 70.
+    camera_position : tuple or list of ndarray
+        Position of the camera in 3D space. Defaults to (1, 0, 0).
+    look_at : tuple or list of ndarray
+        The center of the camera's image points to this place in 3D space.
+        Set to (0, 0, 0) by default.
+    up : tuple or list of ndarray
+        Which way is up for the camera. Must not be parallel to the
+        line between look_at and camera_position. Set to (0, 0, 1) by default.
+    orthographic_width : float
+        If set to a nonzero value, an orthographic projection is used.
+        All rays traced from the orthographic pixel array travel in the
+        same direction. The width of the starting array must be specified,
+        unlike with the default perspective projection. The height of the
+        array is deduced from the ratio of pixel dimensions for the image.
+        Defaults to zero, i.e. using perspective projection.
     wireframe_thickness : int
         Line thickness employed for drawing wireframes around cells or material
         regions. Can be set to zero for no wireframes at all. Defaults to one
@@ -1512,6 +1556,40 @@ class SolidRayTracePlot(RayTracePlot):
 
     Attributes
     ----------
+    id : int
+        Unique identifier
+    name : str
+        Name of the plot
+    pixels : Iterable of int
+        Number of pixels to use in each direction
+    filename : str
+        Path to write the plot to
+    color_by : {'cell', 'material'}
+        Indicate whether the plot should be colored by cell or by material
+    overlap_color : Iterable of int or str
+        Color to apply to overlapping regions
+    colors : dict
+        Dictionary indicating that certain cells/materials should be
+        displayed with a particular color. The keys can be of type
+        :class:`~openmc.Cell`, :class:`~openmc.Material`, or int (ID for a
+        cell/material).
+    horizontal_field_of_view : float
+        Field of view horizontally, in units of degrees, defaults to 70.
+    camera_position : tuple or list of ndarray
+        Position of the camera in 3D space. Defaults to (1, 0, 0).
+    look_at : tuple or list of ndarray
+        The center of the camera's image points to this place in 3D space.
+        Set to (0, 0, 0) by default.
+    up : tuple or list of ndarray
+        Which way is up for the camera. Must not be parallel to the
+        line between look_at and camera_position. Set to (0, 0, 1) by default.
+    orthographic_width : float
+        If set to a nonzero value, an orthographic projection is used.
+        All rays traced from the orthographic pixel array travel in the
+        same direction. The width of the starting array must be specified,
+        unlike with the default perspective projection. The height of the
+        array is deduced from the ratio of pixel dimensions for the image.
+        Defaults to zero, i.e. using perspective projection.
     light_position : tuple or list of float
         Position of the light source in 3D space. Defaults to None, which places
         the light at the camera position.
diff --git a/src/plot.cpp b/src/plot.cpp
index 093f89f8c..dbc25b21e 100644
--- a/src/plot.cpp
+++ b/src/plot.cpp
@@ -1083,7 +1083,7 @@ WireframeRayTracePlot::WireframeRayTracePlot(pugi::xml_node node)
 
 void WireframeRayTracePlot::set_wireframe_color(pugi::xml_node plot_node)
 {
-  // Copy plot background color
+  // Copy plot wireframe color
   if (check_for_node(plot_node, "wireframe_color")) {
     vector<int> w_rgb = get_node_array<int>(plot_node, "wireframe_color");
     if (w_rgb.size() == 3) {
@@ -1503,13 +1503,15 @@ void RayTracePlot::set_look_at(pugi::xml_node node)
 void RayTracePlot::set_field_of_view(pugi::xml_node node)
 {
   // Defaults to 70 degree horizontal field of view (see .h file)
-  if (check_for_node(node, "field_of_view")) {
-    double fov = std::stod(get_node_value(node, "field_of_view", true));
+  if (check_for_node(node, "horizontal_field_of_view")) {
+    double fov =
+      std::stod(get_node_value(node, "horizontal_field_of_view", true));
     if (fov < 180.0 && fov > 0.0) {
       horizontal_field_of_view_ = fov;
     } else {
-      fatal_error(fmt::format(
-        "Field of view for plot {} out-of-range. Must be in (0, 180).", id()));
+      fatal_error(fmt::format("Horizontal field of view for plot {} "
+                              "out-of-range. Must be in (0, 180) degrees.",
+        id()));
     }
   }
 }
diff --git a/tests/regression_tests/plot_projections/results_true.dat b/tests/regression_tests/plot_projections/results_true.dat
index 672280fdd..d5c6a7a58 100644
--- a/tests/regression_tests/plot_projections/results_true.dat
+++ b/tests/regression_tests/plot_projections/results_true.dat
@@ -1 +1 @@
-025804f1522eafd6e0e9566ce6b9b5603962f278de222c842fe3e06471290bb575676255bcd55e4f084bdcca4ee56d3c219827cb1ef2b5c3a90f7666986b55e9
\ No newline at end of file
+6b90dfcf3059f86d623bb6496bb92d5b6ea2788b79639b61f865b31b503b84df9af64e59eacb04ccb02a225cfdb51bb7fa4b4f71e8e6ea20b2714266b34886ce
\ No newline at end of file

From e2557bbe22b8f7e6f8bd6253aaedd2c6f11c15cc Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 28 Feb 2025 20:04:27 -0600
Subject: [PATCH 2266/2654] Update pugixml to v1.15 (#3332)

---
 vendor/pugixml | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/vendor/pugixml b/vendor/pugixml
index 41b6ff21c..ee86beb30 160000
--- a/vendor/pugixml
+++ b/vendor/pugixml
@@ -1 +1 @@
-Subproject commit 41b6ff21c455865bb8ef67c5952b7f895b62bacc
+Subproject commit ee86beb30e4973f5feffe3ce63bfa4fbadf72f38

From 239f7fed5e39eadfdad4f47c08f3f7b633862ab9 Mon Sep 17 00:00:00 2001
From: ahman24 <79746189+ahman24@users.noreply.github.com>
Date: Wed, 5 Mar 2025 08:26:38 +0900
Subject: [PATCH 2267/2654] Implement user-configurable random number stride
 (#3067)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 docs/source/io_formats/settings.rst           |  9 ++++++
 docs/source/io_formats/statepoint.rst         |  1 +
 include/openmc/capi.h                         |  2 ++
 include/openmc/random_lcg.h                   | 14 +++++++++
 openmc/lib/settings.py                        | 10 +++++++
 openmc/settings.py                            | 25 ++++++++++++++++
 openmc/statepoint.py                          |  6 ++++
 src/finalize.cpp                              |  2 ++
 src/initialize.cpp                            |  5 ++--
 src/random_lcg.cpp                            | 12 +++++++-
 src/settings.cpp                              |  6 ++++
 src/state_point.cpp                           |  8 +++++
 tests/regression_tests/stride/__init__.py     |  0
 tests/regression_tests/stride/inputs_true.dat | 25 ++++++++++++++++
 .../regression_tests/stride/results_true.dat  |  2 ++
 tests/regression_tests/stride/test.py         | 29 +++++++++++++++++++
 16 files changed, 153 insertions(+), 3 deletions(-)
 create mode 100644 tests/regression_tests/stride/__init__.py
 create mode 100644 tests/regression_tests/stride/inputs_true.dat
 create mode 100644 tests/regression_tests/stride/results_true.dat
 create mode 100644 tests/regression_tests/stride/test.py

diff --git a/docs/source/io_formats/settings.rst b/docs/source/io_formats/settings.rst
index 0c225b1ed..5174cfd8b 100644
--- a/docs/source/io_formats/settings.rst
+++ b/docs/source/io_formats/settings.rst
@@ -538,6 +538,15 @@ pseudo-random number generator.
 
   *Default*: 1
 
+--------------------
+``<stride>`` Element
+--------------------
+
+The ``stride`` element is used to specify how many random numbers are allocated
+for each source particle history.
+
+  *Default*: 152,917
+
 .. _source_element:
 
 --------------------
diff --git a/docs/source/io_formats/statepoint.rst b/docs/source/io_formats/statepoint.rst
index fd00a3e77..3b1031769 100644
--- a/docs/source/io_formats/statepoint.rst
+++ b/docs/source/io_formats/statepoint.rst
@@ -23,6 +23,7 @@ The current version of the statepoint file format is 18.1.
                bank is present (1) or not (0).
 
 :Datasets: - **seed** (*int8_t*) -- Pseudo-random number generator seed.
+           - **stride** (*uint64_t*) -- Pseudo-random number generator stride.
            - **energy_mode** (*char[]*) -- Energy mode of the run, either
              'continuous-energy' or 'multi-group'.
            - **run_mode** (*char[]*) -- Run mode used, either 'eigenvalue' or
diff --git a/include/openmc/capi.h b/include/openmc/capi.h
index 3802692c3..54257d093 100644
--- a/include/openmc/capi.h
+++ b/include/openmc/capi.h
@@ -71,6 +71,7 @@ int openmc_get_nuclide_index(const char name[], int* index);
 int openmc_add_unstructured_mesh(
   const char filename[], const char library[], int* id);
 int64_t openmc_get_seed();
+uint64_t openmc_get_stride();
 int openmc_get_tally_index(int32_t id, int32_t* index);
 void openmc_get_tally_next_id(int32_t* id);
 int openmc_global_tallies(double** ptr);
@@ -137,6 +138,7 @@ int openmc_reset_timers();
 int openmc_run();
 int openmc_sample_external_source(size_t n, uint64_t* seed, void* sites);
 void openmc_set_seed(int64_t new_seed);
+void openmc_set_stride(uint64_t new_stride);
 int openmc_set_n_batches(
   int32_t n_batches, bool set_max_batches, bool add_statepoint_batch);
 int openmc_simulation_finalize();
diff --git a/include/openmc/random_lcg.h b/include/openmc/random_lcg.h
index 4157b7cfe..5aecafed3 100644
--- a/include/openmc/random_lcg.h
+++ b/include/openmc/random_lcg.h
@@ -15,6 +15,7 @@ constexpr int STREAM_SOURCE {1};
 constexpr int STREAM_URR_PTABLE {2};
 constexpr int STREAM_VOLUME {3};
 constexpr int64_t DEFAULT_SEED {1};
+constexpr uint64_t DEFAULT_STRIDE {152917ULL};
 
 //==============================================================================
 //! Generate a pseudo-random number using a linear congruential generator.
@@ -98,5 +99,18 @@ extern "C" int64_t openmc_get_seed();
 
 extern "C" void openmc_set_seed(int64_t new_seed);
 
+//==============================================================================
+//! Get OpenMC's stride.
+//==============================================================================
+
+extern "C" uint64_t openmc_get_stride();
+
+//==============================================================================
+//! Set OpenMC's stride.
+//! @param new_stride Stride.
+//==============================================================================
+
+extern "C" void openmc_set_stride(uint64_t new_stride);
+
 } // namespace openmc
 #endif // OPENMC_RANDOM_LCG_H
diff --git a/openmc/lib/settings.py b/openmc/lib/settings.py
index 062670ef8..4fba8d48b 100644
--- a/openmc/lib/settings.py
+++ b/openmc/lib/settings.py
@@ -12,6 +12,8 @@ _RUN_MODES = {1: 'fixed source',
 
 _dll.openmc_set_seed.argtypes = [c_int64]
 _dll.openmc_get_seed.restype = c_int64
+_dll.openmc_set_stride.argtypes = [c_int64]
+_dll.openmc_get_stride.restype = c_int64
 _dll.openmc_get_n_batches.argtypes = [POINTER(c_int), c_bool]
 _dll.openmc_get_n_batches.restype = c_int
 _dll.openmc_get_n_batches.errcheck = _error_handler
@@ -68,6 +70,14 @@ class _Settings:
     def seed(self, seed):
         _dll.openmc_set_seed(seed)
 
+    @property
+    def stride(self):
+        return _dll.openmc_get_stride()
+
+    @stride.setter
+    def stride(self, stride):
+        _dll.openmc_set_stride(stride)
+
     def set_batches(self, n_batches, set_max_batches=True, add_sp_batch=True):
         """Set number of batches or maximum number of batches
 
diff --git a/openmc/settings.py b/openmc/settings.py
index 0e2a18399..882a17b68 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -193,6 +193,8 @@ class Settings:
         The type of calculation to perform (default is 'eigenvalue')
     seed : int
         Seed for the linear congruential pseudorandom number generator
+    stride : int
+        Number of random numbers allocated for each source particle history
     source : Iterable of openmc.SourceBase
         Distribution of source sites in space, angle, and energy
     sourcepoint : dict
@@ -338,6 +340,7 @@ class Settings:
         self._ptables = None
         self._uniform_source_sampling = None
         self._seed = None
+        self._stride = None
         self._survival_biasing = None
 
         # Shannon entropy mesh
@@ -614,6 +617,16 @@ class Settings:
         cv.check_greater_than('random number generator seed', seed, 0)
         self._seed = seed
 
+    @property
+    def stride(self) -> int:
+        return self._stride
+
+    @stride.setter
+    def stride(self, stride: int):
+        cv.check_type('random number generator stride', stride, Integral)
+        cv.check_greater_than('random number generator stride', stride, 0)
+        self._stride = stride
+
     @property
     def survival_biasing(self) -> bool:
         return self._survival_biasing
@@ -1336,6 +1349,11 @@ class Settings:
             element = ET.SubElement(root, "seed")
             element.text = str(self._seed)
 
+    def _create_stride_subelement(self, root):
+        if self._stride is not None:
+            element = ET.SubElement(root, "stride")
+            element.text = str(self._stride)
+
     def _create_survival_biasing_subelement(self, root):
         if self._survival_biasing is not None:
             element = ET.SubElement(root, "survival_biasing")
@@ -1763,6 +1781,11 @@ class Settings:
         if text is not None:
             self.seed = int(text)
 
+    def _stride_from_xml_element(self, root):
+        text = get_text(root, 'stride')
+        if text is not None:
+            self.stride = int(text)
+
     def _survival_biasing_from_xml_element(self, root):
         text = get_text(root, 'survival_biasing')
         if text is not None:
@@ -2014,6 +2037,7 @@ class Settings:
         self._create_plot_seed_subelement(element)
         self._create_ptables_subelement(element)
         self._create_seed_subelement(element)
+        self._create_stride_subelement(element)
         self._create_survival_biasing_subelement(element)
         self._create_cutoff_subelement(element)
         self._create_entropy_mesh_subelement(element, mesh_memo)
@@ -2122,6 +2146,7 @@ class Settings:
         settings._plot_seed_from_xml_element(elem)
         settings._ptables_from_xml_element(elem)
         settings._seed_from_xml_element(elem)
+        settings._stride_from_xml_element(elem)
         settings._survival_biasing_from_xml_element(elem)
         settings._cutoff_from_xml_element(elem)
         settings._entropy_mesh_from_xml_element(elem, meshes)
diff --git a/openmc/statepoint.py b/openmc/statepoint.py
index f2fd48066..715becf48 100644
--- a/openmc/statepoint.py
+++ b/openmc/statepoint.py
@@ -99,6 +99,8 @@ class StatePoint:
         and whose values are time values in seconds.
     seed : int
         Pseudorandom number generator seed
+    stride : int
+        Number of random numbers allocated for each particle history
     source : numpy.ndarray of compound datatype
         Array of source sites. The compound datatype has fields 'r', 'u',
         'E', 'wgt', 'delayed_group', 'surf_id', and 'particle', corresponding to
@@ -356,6 +358,10 @@ class StatePoint:
     def seed(self):
         return self._f['seed'][()]
 
+    @property
+    def stride(self):
+        return self._f['stride'][()]
+
     @property
     def source(self):
         return self._f['source_bank'][()] if self.source_present else None
diff --git a/src/finalize.cpp b/src/finalize.cpp
index 981ec5cba..ad6f0cf62 100644
--- a/src/finalize.cpp
+++ b/src/finalize.cpp
@@ -159,6 +159,7 @@ int openmc_finalize()
   model::root_universe = -1;
   model::plotter_seed = 1;
   openmc::openmc_set_seed(DEFAULT_SEED);
+  openmc::openmc_set_stride(DEFAULT_STRIDE);
 
   // Deallocate arrays
   free_memory();
@@ -221,5 +222,6 @@ int openmc_hard_reset()
 
   // Reset the random number generator state
   openmc::openmc_set_seed(DEFAULT_SEED);
+  openmc::openmc_set_stride(DEFAULT_STRIDE);
   return 0;
 }
diff --git a/src/initialize.cpp b/src/initialize.cpp
index 5f717b137..4b821bee1 100644
--- a/src/initialize.cpp
+++ b/src/initialize.cpp
@@ -99,9 +99,10 @@ int openmc_init(int argc, char* argv[], const void* intracomm)
   }
 #endif
 
-  // Initialize random number generator -- if the user specifies a seed, it
-  // will be re-initialized later
+  // Initialize random number generator -- if the user specifies a seed and/or
+  // stride, it will be re-initialized later
   openmc::openmc_set_seed(DEFAULT_SEED);
+  openmc::openmc_set_stride(DEFAULT_STRIDE);
 
   // Copy previous locale and set locale to C. This is a workaround for an issue
   // whereby when openmc_init is called from the plotter, the Qt application
diff --git a/src/random_lcg.cpp b/src/random_lcg.cpp
index ca4467719..29457569b 100644
--- a/src/random_lcg.cpp
+++ b/src/random_lcg.cpp
@@ -10,7 +10,7 @@ int64_t master_seed {1};
 // LCG parameters
 constexpr uint64_t prn_mult {6364136223846793005ULL}; // multiplication
 constexpr uint64_t prn_add {1442695040888963407ULL};  // additive factor, c
-constexpr uint64_t prn_stride {152917LL}; // stride between particles
+uint64_t prn_stride {DEFAULT_STRIDE}; // stride between particles
 
 //==============================================================================
 // PRN
@@ -133,4 +133,14 @@ extern "C" void openmc_set_seed(int64_t new_seed)
   master_seed = new_seed;
 }
 
+extern "C" uint64_t openmc_get_stride()
+{
+  return prn_stride;
+}
+
+extern "C" void openmc_set_stride(uint64_t new_stride)
+{
+  prn_stride = new_stride;
+}
+
 } // namespace openmc
diff --git a/src/settings.cpp b/src/settings.cpp
index e2f5a033b..cd925be70 100644
--- a/src/settings.cpp
+++ b/src/settings.cpp
@@ -514,6 +514,12 @@ void read_settings_xml(pugi::xml_node root)
     openmc_set_seed(seed);
   }
 
+  // Copy random number stride if specified
+  if (check_for_node(root, "stride")) {
+    auto stride = std::stoull(get_node_value(root, "stride"));
+    openmc_set_stride(stride);
+  }
+
   // Check for electron treatment
   if (check_for_node(root, "electron_treatment")) {
     auto temp_str = get_node_value(root, "electron_treatment", true, true);
diff --git a/src/state_point.cpp b/src/state_point.cpp
index ed8c6ed41..3b822715c 100644
--- a/src/state_point.cpp
+++ b/src/state_point.cpp
@@ -89,6 +89,9 @@ extern "C" int openmc_statepoint_write(const char* filename, bool* write_source)
     // Write out random number seed
     write_dataset(file_id, "seed", openmc_get_seed());
 
+    // Write out random number stride
+    write_dataset(file_id, "stride", openmc_get_stride());
+
     // Write run information
     write_dataset(file_id, "energy_mode",
       settings::run_CE ? "continuous-energy" : "multi-group");
@@ -399,6 +402,11 @@ extern "C" int openmc_statepoint_load(const char* filename)
   read_dataset(file_id, "seed", seed);
   openmc_set_seed(seed);
 
+  // Read and overwrite random number stride
+  uint64_t stride;
+  read_dataset(file_id, "stride", stride);
+  openmc_set_stride(stride);
+
   // It is not impossible for a state point to be generated from a CE run but
   // to be loaded in to an MG run (or vice versa), check to prevent that.
   read_dataset(file_id, "energy_mode", word);
diff --git a/tests/regression_tests/stride/__init__.py b/tests/regression_tests/stride/__init__.py
new file mode 100644
index 000000000..e69de29bb
diff --git a/tests/regression_tests/stride/inputs_true.dat b/tests/regression_tests/stride/inputs_true.dat
new file mode 100644
index 000000000..f93ec33d1
--- /dev/null
+++ b/tests/regression_tests/stride/inputs_true.dat
@@ -0,0 +1,25 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material depletable="true" id="1">
+      <density units="g/cm3" value="4.5"/>
+      <nuclide ao="1.0" name="U235"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="-1" universe="1"/>
+    <surface boundary="vacuum" coeffs="0.0 0.0 0.0 10.0" id="1" type="sphere"/>
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>1000</particles>
+    <batches>10</batches>
+    <inactive>5</inactive>
+    <source particle="neutron" strength="1.0" type="independent">
+      <space type="box">
+        <parameters>-4 -4 -4 4 4 4</parameters>
+      </space>
+    </source>
+    <stride>1529170</stride>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/stride/results_true.dat b/tests/regression_tests/stride/results_true.dat
new file mode 100644
index 000000000..a65411150
--- /dev/null
+++ b/tests/regression_tests/stride/results_true.dat
@@ -0,0 +1,2 @@
+k-combined:
+2.978080E-01 6.106774E-03
diff --git a/tests/regression_tests/stride/test.py b/tests/regression_tests/stride/test.py
new file mode 100644
index 000000000..f911af1f5
--- /dev/null
+++ b/tests/regression_tests/stride/test.py
@@ -0,0 +1,29 @@
+import pytest
+import openmc
+
+from tests.testing_harness import PyAPITestHarness
+
+
+@pytest.fixture
+def model():
+    u = openmc.Material()
+    u.add_nuclide('U235', 1.0)
+    u.set_density('g/cm3', 4.5)
+    sph = openmc.Sphere(r=10.0, boundary_type='vacuum')
+    cell = openmc.Cell(fill=u, region=-sph)
+    model = openmc.Model()
+    model.geometry = openmc.Geometry([cell])
+
+    model.settings.batches = 10
+    model.settings.inactive = 5
+    model.settings.particles = 1000
+    model.settings.stride = 1_529_170
+    model.settings.source = openmc.IndependentSource(
+        space=openmc.stats.Box([-4, -4, -4], [4, 4, 4])
+    )
+    return model
+
+
+def test_seed(model):
+    harness = PyAPITestHarness('statepoint.10.h5', model)
+    harness.main()

From ced8929128498c4837552ad95285956d517e12b5 Mon Sep 17 00:00:00 2001
From: Thomas Kittelmann <tkittel@users.noreply.github.com>
Date: Wed, 5 Mar 2025 22:45:27 +0100
Subject: [PATCH 2268/2654] NCrystal becomes runtime rather than buildtime
 dependency (#3328)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 .github/workflows/ci.yml                |   8 +-
 CMakeLists.txt                          |  25 +---
 CODEOWNERS                              |   3 +-
 cmake/OpenMCConfig.cmake.in             |  13 --
 docs/source/usersguide/install.rst      |  20 ++--
 include/openmc/ncrystal_interface.h     |  40 +++----
 include/openmc/ncrystal_load.h          | 127 ++++++++++++++++++++
 openmc/lib/__init__.py                  |   3 -
 openmc/material.py                      |   6 +-
 src/material.cpp                        |   2 +-
 src/ncrystal_interface.cpp              |  79 ++-----------
 src/ncrystal_load.cpp                   | 151 ++++++++++++++++++++++++
 src/output.cpp                          |   5 -
 src/source.cpp                          |   2 +-
 tests/regression_tests/ncrystal/test.py |   5 +-
 tools/ci/gha-install.py                 |   8 +-
 tools/ci/gha-install.sh                 |   9 +-
 tools/ci/gha-script.sh                  |   5 -
 18 files changed, 331 insertions(+), 180 deletions(-)
 create mode 100644 include/openmc/ncrystal_load.h
 create mode 100644 src/ncrystal_load.cpp

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index 7fe3e1557..877ec6833 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -29,7 +29,6 @@ jobs:
         mpi: [n, y]
         omp: [n, y]
         dagmc: [n]
-        ncrystal: [n]
         libmesh: [n]
         event: [n]
         vectfit: [n]
@@ -45,10 +44,6 @@ jobs:
             python-version: "3.11"
             mpi: y
             omp: y
-          - ncrystal: y
-            python-version: "3.11"
-            mpi: n
-            omp: n
           - libmesh: y
             python-version: "3.11"
             mpi: y
@@ -66,7 +61,7 @@ jobs:
             omp: n
             mpi: y
     name: "Python ${{ matrix.python-version }} (omp=${{ matrix.omp }},
-      mpi=${{ matrix.mpi }}, dagmc=${{ matrix.dagmc }}, ncrystal=${{ matrix.ncrystal }},
+      mpi=${{ matrix.mpi }}, dagmc=${{ matrix.dagmc }},
       libmesh=${{ matrix.libmesh }}, event=${{ matrix.event }}
       vectfit=${{ matrix.vectfit }})"
 
@@ -75,7 +70,6 @@ jobs:
       PHDF5: ${{ matrix.mpi }}
       OMP: ${{ matrix.omp }}
       DAGMC: ${{ matrix.dagmc }}
-      NCRYSTAL: ${{ matrix.ncrystal }}
       EVENT: ${{ matrix.event }}
       VECTFIT: ${{ matrix.vectfit }}
       LIBMESH: ${{ matrix.libmesh }}
diff --git a/CMakeLists.txt b/CMakeLists.txt
index 385ce85aa..461abe508 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -37,7 +37,6 @@ option(OPENMC_USE_DAGMC       "Enable support for DAGMC (CAD) geometry"
 option(OPENMC_USE_LIBMESH     "Enable support for libMesh unstructured mesh tallies" OFF)
 option(OPENMC_USE_MPI         "Enable MPI"                                           OFF)
 option(OPENMC_USE_MCPL        "Enable MCPL"                                          OFF)
-option(OPENMC_USE_NCRYSTAL    "Enable support for NCrystal scattering"               OFF)
 option(OPENMC_USE_UWUW        "Enable UWUW"                                          OFF)
 
 message(STATUS "OPENMC_USE_OPENMP ${OPENMC_USE_OPENMP}")
@@ -48,7 +47,6 @@ message(STATUS "OPENMC_USE_DAGMC ${OPENMC_USE_DAGMC}")
 message(STATUS "OPENMC_USE_LIBMESH ${OPENMC_USE_LIBMESH}")
 message(STATUS "OPENMC_USE_MPI ${OPENMC_USE_MPI}")
 message(STATUS "OPENMC_USE_MCPL ${OPENMC_USE_MCPL}")
-message(STATUS "OPENMC_USE_NCRYSTAL ${OPENMC_USE_NCRYSTAL}")
 message(STATUS "OPENMC_USE_UWUW ${OPENMC_USE_UWUW}")
 
 # Warnings for deprecated options
@@ -120,23 +118,6 @@ macro(find_package_write_status pkg)
   endif()
 endmacro()
 
-#===============================================================================
-# NCrystal Scattering Support
-#===============================================================================
-
-if(OPENMC_USE_NCRYSTAL)
-  if(NOT DEFINED "NCrystal_DIR")
-    #Invocation of "ncrystal-config --show cmakedir" is needed to find NCrystal
-    #when it is installed from Python wheels:
-    execute_process(
-      COMMAND "ncrystal-config" "--show" "cmakedir"
-      OUTPUT_VARIABLE "NCrystal_DIR" OUTPUT_STRIP_TRAILING_WHITESPACE
-    )
-  endif()
-  find_package(NCrystal 3.8.0 REQUIRED)
-  message(STATUS "Found NCrystal: ${NCrystal_DIR} (version ${NCrystal_VERSION})")
-endif()
-
 #===============================================================================
 # DAGMC Geometry Support - need DAGMC/MOAB
 #===============================================================================
@@ -372,6 +353,7 @@ list(APPEND libopenmc_SOURCES
   src/mgxs.cpp
   src/mgxs_interface.cpp
   src/ncrystal_interface.cpp
+  src/ncrystal_load.cpp
   src/nuclide.cpp
   src/output.cpp
   src/particle.cpp
@@ -548,11 +530,6 @@ if (OPENMC_USE_MCPL)
   target_link_libraries(libopenmc MCPL::mcpl)
 endif()
 
-if(OPENMC_USE_NCRYSTAL)
-  target_compile_definitions(libopenmc PRIVATE NCRYSTAL)
-  target_link_libraries(libopenmc NCrystal::NCrystal)
-endif()
-
 #===============================================================================
 # Log build info that this executable can report later
 #===============================================================================
diff --git a/CODEOWNERS b/CODEOWNERS
index 6d452e366..c77366de7 100644
--- a/CODEOWNERS
+++ b/CODEOWNERS
@@ -60,7 +60,8 @@ Dockerfile @shimwell
 src/random_ray/ @jtramm
 
 # NCrystal interface
-src/ncrystal_interface.cpp @marquezj
+src/ncrystal_interface.cpp @marquezj @tkittel
+src/ncrystal_load.cpp @marquezj @tkittel
 
 # MCPL interface
 src/mcpl_interface.cpp @ebknudsen
diff --git a/cmake/OpenMCConfig.cmake.in b/cmake/OpenMCConfig.cmake.in
index 21c552303..5cab4790a 100644
--- a/cmake/OpenMCConfig.cmake.in
+++ b/cmake/OpenMCConfig.cmake.in
@@ -8,19 +8,6 @@ if(@OPENMC_USE_DAGMC@)
   find_package(DAGMC REQUIRED HINTS @DAGMC_DIR@)
 endif()
 
-if(@OPENMC_USE_NCRYSTAL@)
-  if(NOT DEFINED "NCrystal_DIR")
-    #Invocation of "ncrystal-config --show cmakedir" is needed to find NCrystal
-    #when it is installed from Python wheels:
-    execute_process(
-      COMMAND "ncrystal-config" "--show" "cmakedir"
-      OUTPUT_VARIABLE "NCrystal_DIR" OUTPUT_STRIP_TRAILING_WHITESPACE
-    )
-  endif()
-  find_package(NCrystal REQUIRED)
-  message(STATUS "Found NCrystal: ${NCrystal_DIR} (version ${NCrystal_VERSION})")
-endif()
-
 if(@OPENMC_USE_LIBMESH@)
   include(FindPkgConfig)
   list(APPEND CMAKE_PREFIX_PATH @LIBMESH_PREFIX@)
diff --git a/docs/source/usersguide/install.rst b/docs/source/usersguide/install.rst
index bb54594de..0aa561ee3 100644
--- a/docs/source/usersguide/install.rst
+++ b/docs/source/usersguide/install.rst
@@ -284,13 +284,13 @@ Prerequisites
 
     * NCrystal_ library for defining materials with enhanced thermal neutron transport
 
-      Adding this option allows the creation of materials from NCrystal, which
-      replaces the scattering kernel treatment of ACE files with a modular,
-      on-the-fly approach. To use it `install
-      <https://github.com/mctools/ncrystal/wiki/Get-NCrystal>`_ NCrystal and
-      turn on the option in the CMake configuration step::
-
-          cmake -DOPENMC_USE_NCRYSTAL=on ..
+      OpenMC supports the creation of materials from NCrystal, which replaces
+      the scattering kernel treatment of ACE files with a modular, on-the-fly
+      approach. OpenMC does not need any particular build option to use this,
+      but NCrystal must be installed on the system. Refer to `NCrystal
+      documentation
+      <https://github.com/mctools/ncrystal/wiki/Get-NCrystal>`_ for how this is
+      achieved.
 
     * libMesh_ mesh library framework for numerical simulations of partial differential equations
 
@@ -393,12 +393,6 @@ OPENMC_USE_MCPL
   Turns on support for reading MCPL_ source files and writing MCPL source points
   and surface sources. (Default: off)
 
-OPENMC_USE_NCRYSTAL
-  Turns on support for NCrystal materials. NCrystal must be `installed
-  <https://github.com/mctools/ncrystal/wiki/Get-NCrystal>`_ and `initialized
-  <https://github.com/mctools/ncrystal/wiki/Using-NCrystal#setting-up>`_.
-  (Default: off)
-
 OPENMC_USE_LIBMESH
   Enables the use of unstructured mesh tallies with libMesh_. (Default: off)
 
diff --git a/include/openmc/ncrystal_interface.h b/include/openmc/ncrystal_interface.h
index 22422e378..e9bd8ae79 100644
--- a/include/openmc/ncrystal_interface.h
+++ b/include/openmc/ncrystal_interface.h
@@ -1,10 +1,7 @@
 #ifndef OPENMC_NCRYSTAL_INTERFACE_H
 #define OPENMC_NCRYSTAL_INTERFACE_H
 
-#ifdef NCRYSTAL
-#include "NCrystal/NCrystal.hh"
-#endif
-
+#include "openmc/ncrystal_load.h"
 #include "openmc/particle.h"
 
 #include <cstdint> // for uint64_t
@@ -17,28 +14,25 @@ namespace openmc {
 // Constants
 //==============================================================================
 
-extern "C" const bool NCRYSTAL_ENABLED;
-
 //! Energy in [eV] to switch between NCrystal and ENDF
 constexpr double NCRYSTAL_MAX_ENERGY {5.0};
 
 //==============================================================================
-// Wrapper class an NCrystal material
+// Wrapper class for an NCrystal material
 //==============================================================================
 
 class NCrystalMat {
 public:
   //----------------------------------------------------------------------------
   // Constructors
-  NCrystalMat() = default;
+  NCrystalMat() = default; // empty object
   explicit NCrystalMat(const std::string& cfg);
 
   //----------------------------------------------------------------------------
   // Methods
 
-#ifdef NCRYSTAL
-  //! Return configuration string
-  std::string cfg() const;
+  //! Return configuration string:
+  const std::string& cfg() const { return cfg_; }
 
   //! Get cross section from NCrystal material
   //
@@ -52,25 +46,21 @@ public:
   void scatter(Particle& p) const;
 
   //! Whether the object holds a valid NCrystal material
-  operator bool() const;
-#else
+  operator bool() const { return !cfg_.empty(); }
 
-  //----------------------------------------------------------------------------
-  // Trivial methods when compiling without NCRYSTAL
-  std::string cfg() const { return ""; }
-  double xs(const Particle& p) const { return -1.0; }
-  void scatter(Particle& p) const {}
-  operator bool() const { return false; }
-#endif
+  NCrystalMat clone() const
+  {
+    NCrystalMat c;
+    c.cfg_ = cfg_;
+    c.proc_ = proc_.clone();
+    return c;
+  }
 
 private:
   //----------------------------------------------------------------------------
   // Data members (only present when compiling with NCrystal support)
-#ifdef NCRYSTAL
-  std::string cfg_; //!< NCrystal configuration string
-  std::shared_ptr<const NCrystal::ProcImpl::Process>
-    ptr_; //!< Pointer to NCrystal material object
-#endif
+  std::string cfg_;       //!< NCrystal configuration string
+  NCrystalScatProc proc_; //!< NCrystal scatter process
 };
 
 //==============================================================================
diff --git a/include/openmc/ncrystal_load.h b/include/openmc/ncrystal_load.h
new file mode 100644
index 000000000..d85f24090
--- /dev/null
+++ b/include/openmc/ncrystal_load.h
@@ -0,0 +1,127 @@
+//! \file ncrystal_load.h
+//! \brief Helper class taking care of loading NCrystal at runtime.
+
+#ifndef OPENMC_NCRYSTAL_LOAD_H
+#define OPENMC_NCRYSTAL_LOAD_H
+
+#include <algorithm>  // for swap
+#include <functional> // for function
+#include <memory>     // for shared_ptr
+#include <utility>    // for move
+
+namespace NCrystalVirtualAPI {
+
+// NOTICE: Do NOT make ANY changes in the NCrystalVirtualAPI::VirtAPI_Type1_v1
+// class, it is required to stay exactly constant over time and compatible with
+// the same definition used to compile the NCrystal library! But changes to
+// white space, comments, and formatting is of course allowed.  This API was
+// introduced in NCrystal 4.1.0.
+
+//! Abstract base class for NCrystal interface which must be declared exactly as
+//  it is in NCrystal itself.
+
+class VirtAPI_Type1_v1 {
+public:
+  // Note: neutron must be an array of length 4 with values {ekin,ux,uy,uz}
+  class ScatterProcess;
+  virtual const ScatterProcess* createScatter(const char* cfgstr) const = 0;
+  virtual const ScatterProcess* cloneScatter(const ScatterProcess*) const = 0;
+  virtual void deallocateScatter(const ScatterProcess*) const = 0;
+  virtual double crossSectionUncached(
+    const ScatterProcess&, const double* neutron) const = 0;
+  virtual void sampleScatterUncached(const ScatterProcess&,
+    std::function<double()>& rng, double* neutron) const = 0;
+  // Plumbing:
+  static constexpr unsigned interface_id = 1001;
+  virtual ~VirtAPI_Type1_v1() = default;
+  VirtAPI_Type1_v1() = default;
+  VirtAPI_Type1_v1(const VirtAPI_Type1_v1&) = delete;
+  VirtAPI_Type1_v1& operator=(const VirtAPI_Type1_v1&) = delete;
+  VirtAPI_Type1_v1(VirtAPI_Type1_v1&&) = delete;
+  VirtAPI_Type1_v1& operator=(VirtAPI_Type1_v1&&) = delete;
+};
+
+} // namespace NCrystalVirtualAPI
+
+namespace openmc {
+
+using NCrystalAPI = NCrystalVirtualAPI::VirtAPI_Type1_v1;
+
+//! Function which locates and loads NCrystal at runtime using the virtual API
+std::shared_ptr<const NCrystalAPI> load_ncrystal_api();
+
+//! Class encapsulating exactly the parts of NCrystal needed by OpenMC
+
+class NCrystalScatProc final {
+public:
+  //! Empty constructor which does not load NCrystal
+  NCrystalScatProc() {}
+
+  //! Load NCrystal and instantiate a scattering process
+  //! \param cfgstr NCrystal cfg-string defining the material.
+  NCrystalScatProc(const char* cfgstr)
+    : api_(load_ncrystal_api()), p_(api_->createScatter(cfgstr))
+  {}
+
+  // Note: Neutron state array is {ekin,ux,uy,uz}
+
+  //! Returns total scattering cross section in units of barns per atom.
+  //! \param neutron_state array {ekin,ux,uy,uz} with ekin (eV) and direction.
+  double cross_section(const double* neutron_state) const
+  {
+    return api_->crossSectionUncached(*p_, neutron_state);
+  }
+
+  //! Returns total scattering cross section in units of barns per atom.
+  //! \param rng function returning random numbers in the unit interval
+  //! \param neutron_state array {ekin,ux,uy,uz} with ekin (eV) and direction.
+  void scatter(std::function<double()>& rng, double* neutron_state) const
+  {
+    api_->sampleScatterUncached(*p_, rng, neutron_state);
+  }
+
+  //! Clones the object which is otherwise move-only
+  NCrystalScatProc clone() const
+  {
+    NCrystalScatProc c;
+    if (p_) {
+      c.api_ = api_;
+      c.p_ = api_->cloneScatter(p_);
+    }
+    return c;
+  }
+
+  // Plumbing (move-only semantics, but supports explicit clone):
+  NCrystalScatProc(const NCrystalScatProc&) = delete;
+  NCrystalScatProc& operator=(const NCrystalScatProc&) = delete;
+
+  NCrystalScatProc(NCrystalScatProc&& o) : api_(std::move(o.api_)), p_(nullptr)
+  {
+    std::swap(p_, o.p_);
+  }
+
+  NCrystalScatProc& operator=(NCrystalScatProc&& o)
+  {
+    if (p_) {
+      api_->deallocateScatter(p_);
+      p_ = nullptr;
+    }
+    std::swap(api_, o.api_);
+    std::swap(p_, o.p_);
+    return *this;
+  }
+
+  ~NCrystalScatProc()
+  {
+    if (p_)
+      api_->deallocateScatter(p_);
+  }
+
+private:
+  std::shared_ptr<const NCrystalAPI> api_;
+  const NCrystalAPI::ScatterProcess* p_ = nullptr;
+};
+
+} // namespace openmc
+
+#endif
diff --git a/openmc/lib/__init__.py b/openmc/lib/__init__.py
index 5fe35b974..15642b42b 100644
--- a/openmc/lib/__init__.py
+++ b/openmc/lib/__init__.py
@@ -40,9 +40,6 @@ else:
 def _dagmc_enabled():
     return c_bool.in_dll(_dll, "DAGMC_ENABLED").value
 
-def _ncrystal_enabled():
-    return c_bool.in_dll(_dll, "NCRYSTAL_ENABLED").value
-
 def _coord_levels():
     return c_int.in_dll(_dll, "n_coord_levels").value
 
diff --git a/openmc/material.py b/openmc/material.py
index 41780ce36..b104b374e 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -429,7 +429,11 @@ class Material(IDManagerMixin):
 
         """
 
-        import NCrystal
+        try:
+            import NCrystal
+        except ModuleNotFoundError as e:
+            raise RuntimeError('The .from_ncrystal method requires'
+                               ' NCrystal to be installed.') from e
         nc_mat = NCrystal.createInfo(cfg)
 
         def openmc_natabund(Z):
diff --git a/src/material.cpp b/src/material.cpp
index 3ba9ab96c..a1937aca4 100644
--- a/src/material.cpp
+++ b/src/material.cpp
@@ -368,7 +368,7 @@ Material& Material::clone()
   mat->name_ = name_;
   mat->nuclide_ = nuclide_;
   mat->element_ = element_;
-  mat->ncrystal_mat_ = ncrystal_mat_;
+  mat->ncrystal_mat_ = ncrystal_mat_.clone();
   mat->atom_density_ = atom_density_;
   mat->density_ = density_;
   mat->density_gpcc_ = density_gpcc_;
diff --git a/src/ncrystal_interface.cpp b/src/ncrystal_interface.cpp
index b39f62d90..935d2b885 100644
--- a/src/ncrystal_interface.cpp
+++ b/src/ncrystal_interface.cpp
@@ -7,89 +7,34 @@
 namespace openmc {
 
 //==============================================================================
-// Constants
+// NCrystalMat implementation
 //==============================================================================
 
-#ifdef NCRYSTAL
-const bool NCRYSTAL_ENABLED = true;
-#else
-const bool NCRYSTAL_ENABLED = false;
-#endif
-
-//==============================================================================
-// NCrystal wrapper class for the OpenMC random number generator
-//==============================================================================
-
-#ifdef NCRYSTAL
-class NCrystalRNGWrapper : public NCrystal::RNGStream {
-public:
-  constexpr NCrystalRNGWrapper(uint64_t* seed) noexcept : openmc_seed_(seed) {}
-
-protected:
-  double actualGenerate() override
-  {
-    return std::max<double>(
-      std::numeric_limits<double>::min(), prn(openmc_seed_));
-  }
-
-private:
-  uint64_t* openmc_seed_;
-};
-#endif
-
-//==============================================================================
-// NCrystal implementation
-//==============================================================================
-
-NCrystalMat::NCrystalMat(const std::string& cfg)
-{
-#ifdef NCRYSTAL
-  cfg_ = cfg;
-  ptr_ = NCrystal::FactImpl::createScatter(cfg);
-#else
-  fatal_error("Your build of OpenMC does not support NCrystal materials.");
-#endif
-}
-
-#ifdef NCRYSTAL
-std::string NCrystalMat::cfg() const
-{
-  return cfg_;
-}
+NCrystalMat::NCrystalMat(const std::string& cfg) : cfg_(cfg), proc_(cfg.c_str())
+{}
 
 double NCrystalMat::xs(const Particle& p) const
 {
   // Calculate scattering XS per atom with NCrystal, only once per material
-  NCrystal::CachePtr dummy_cache;
-  auto nc_energy = NCrystal::NeutronEnergy {p.E()};
-  return ptr_->crossSection(dummy_cache, nc_energy, {p.u().x, p.u().y, p.u().z})
-    .get();
+  double neutron_state[4] = {p.E(), p.u().x, p.u().y, p.u().z};
+  return proc_.cross_section(neutron_state);
 }
 
 void NCrystalMat::scatter(Particle& p) const
 {
-  NCrystalRNGWrapper rng(p.current_seed()); // Initialize RNG
-  // create a cache pointer for multi thread physics
-  NCrystal::CachePtr dummy_cache;
-  auto nc_energy = NCrystal::NeutronEnergy {p.E()};
-  auto outcome = ptr_->sampleScatter(
-    dummy_cache, rng, nc_energy, {p.u().x, p.u().y, p.u().z});
-
+  // Scatter with NCrystal, using the OpenMC RNG stream:
+  uint64_t* seed = p.current_seed();
+  std::function<double()> rng = [&seed]() { return prn(seed); };
+  double neutron_state[4] = {p.E(), p.u().x, p.u().y, p.u().z};
+  proc_.scatter(rng, neutron_state);
   // Modify attributes of particle
-  p.E() = outcome.ekin.get();
+  p.E() = neutron_state[0];
   Direction u_old {p.u()};
-  p.u() =
-    Direction(outcome.direction[0], outcome.direction[1], outcome.direction[2]);
+  p.u() = Direction(neutron_state[1], neutron_state[2], neutron_state[3]);
   p.mu() = u_old.dot(p.u());
   p.event_mt() = ELASTIC;
 }
 
-NCrystalMat::operator bool() const
-{
-  return ptr_.get();
-}
-#endif
-
 //==============================================================================
 // Functions
 //==============================================================================
diff --git a/src/ncrystal_load.cpp b/src/ncrystal_load.cpp
new file mode 100644
index 000000000..b69f3a27f
--- /dev/null
+++ b/src/ncrystal_load.cpp
@@ -0,0 +1,151 @@
+#include "openmc/ncrystal_load.h"
+
+#include <cctype>  // for isspace
+#include <cstdlib> // for strtoul
+#include <memory>  // for shared_ptr
+#include <mutex>   // for mutex, lock_guard
+#include <string>
+
+#include <fmt/core.h>
+#include <stdio.h> // for popen, pclose
+
+#include "openmc/error.h"
+
+#ifdef _WIN32
+#ifndef WIN32_LEAN_AND_MEAN
+#define WIN32_LEAN_AND_MEAN
+#endif
+#include <windows.h> // for LoadLibrary, GetProcAddress
+#else
+#include <dlfcn.h> // for dlopen, dlsym, dlerror
+#endif
+
+namespace openmc {
+namespace {
+
+struct NCrystalConfig {
+  std::string shlibpath;
+  unsigned long intversion = 0;
+  std::string symbol_namespace;
+};
+
+NCrystalConfig query_ncrystal_config()
+{
+#ifdef _WIN32
+  FILE* pipe = _popen("ncrystal-config --show "
+                      "intversion shlibpath namespace",
+    "r");
+#else
+  FILE* pipe = popen("ncrystal-config --show "
+                     "intversion shlibpath namespace 2>/dev/null",
+    "r");
+#endif
+  if (!pipe)
+    return {}; // failure
+  auto readLine = [pipe](std::string& tgt) -> bool {
+    // Read line and discard trailing whitespace (including newline chars).
+    char buffer[4096];
+    if (fgets(buffer, sizeof(buffer), pipe) == NULL)
+      return false;
+    tgt = buffer;
+    while (!tgt.empty() && std::isspace(tgt.back()))
+      tgt.pop_back();
+    return true;
+  };
+  auto parseIntVersion = [](const std::string& s) {
+    char* str_end = nullptr;
+    unsigned long v = std::strtoul(s.c_str(), &str_end, 10);
+    return (v >= 2002000 && v < 999999999 && str_end == s.c_str() + s.size())
+             ? v
+             : 0;
+  };
+
+  NCrystalConfig res;
+  if (!readLine(res.shlibpath) ||
+      !(res.intversion = parseIntVersion(res.shlibpath)) ||
+      !readLine(res.shlibpath) || res.shlibpath.empty() ||
+      !readLine(res.symbol_namespace)) {
+    res.intversion = 0; // failure
+  }
+
+#ifdef _WIN32
+  auto returnCode = _pclose(pipe);
+#else
+  auto returnCode = pclose(pipe);
+#endif
+  if (returnCode == 0 && res.intversion >= 2002000)
+    return res;
+  return {}; // failure
+}
+
+struct NCrystalAPIDB {
+  std::mutex mtx;
+  std::shared_ptr<const NCrystalAPI> api;
+  using FctSignature = void* (*)(int);
+  FctSignature ncrystal_access_virtapi_fct = nullptr;
+};
+
+void* load_virtapi_raw(unsigned interface_id, NCrystalAPIDB& db)
+{
+  if (!db.ncrystal_access_virtapi_fct) {
+    auto cfg = query_ncrystal_config();
+    if (!(cfg.intversion >= 4001000)) {
+      // This is the most likely error message people will see:
+      fatal_error("Could not locate a functioning and recent enough"
+                  " NCrystal installation (required since geometry"
+                  " contains NCrystal materials).");
+    }
+#ifdef _WIN32
+    auto handle = LoadLibrary(cfg.shlibpath.c_str());
+#else
+    dlerror(); // clear previous errors
+    void* handle = dlopen(cfg.shlibpath.c_str(), RTLD_LOCAL | RTLD_LAZY);
+#endif
+    if (!handle)
+      fatal_error("Loading of the NCrystal library failed");
+
+    std::string symbol =
+      fmt::format("ncrystal{}_access_virtual_api", cfg.symbol_namespace);
+
+#ifdef _WIN32
+    void* addr = (void*)(intptr_t)GetProcAddress(handle, symbol.c_str());
+    if (!addr)
+      fatal_error("GetProcAddress("
+                  "ncrystal_access_virtual_api) failed");
+#else
+    dlerror(); // clear previous errors
+    void* addr = dlsym(handle, symbol.c_str());
+    if (!addr)
+      fatal_error("dlsym(ncrystal_access_virtual_api) failed");
+#endif
+    db.ncrystal_access_virtapi_fct =
+      reinterpret_cast<NCrystalAPIDB::FctSignature>(addr);
+  }
+
+  void* result = (*db.ncrystal_access_virtapi_fct)(interface_id);
+  if (!result)
+    fatal_error("NCrystal installation does not support required interface.");
+
+  return result;
+}
+
+NCrystalAPIDB& get_ncrystal_api_db()
+{
+  static NCrystalAPIDB db;
+  return db;
+}
+} // namespace
+
+std::shared_ptr<const NCrystalAPI> load_ncrystal_api()
+{
+  auto& db = get_ncrystal_api_db();
+  std::lock_guard<std::mutex> lock(db.mtx);
+  if (!db.api) {
+    void* raw_api = load_virtapi_raw(NCrystalAPI::interface_id, db);
+    if (!raw_api)
+      fatal_error("Problems loading NCrystal.");
+    db.api = *reinterpret_cast<std::shared_ptr<const NCrystalAPI>*>(raw_api);
+  }
+  return db.api;
+}
+} // namespace openmc
diff --git a/src/output.cpp b/src/output.cpp
index 63e7fe553..e20868efb 100644
--- a/src/output.cpp
+++ b/src/output.cpp
@@ -314,7 +314,6 @@ void print_build_info()
   std::string profiling(n);
   std::string coverage(n);
   std::string mcpl(n);
-  std::string ncrystal(n);
   std::string uwuw(n);
 
 #ifdef PHDF5
@@ -332,9 +331,6 @@ void print_build_info()
 #ifdef OPENMC_MCPL
   mcpl = y;
 #endif
-#ifdef NCRYSTAL
-  ncrystal = y;
-#endif
 #ifdef USE_LIBPNG
   png = y;
 #endif
@@ -362,7 +358,6 @@ void print_build_info()
     fmt::print("DAGMC support:         {}\n", dagmc);
     fmt::print("libMesh support:       {}\n", libmesh);
     fmt::print("MCPL support:          {}\n", mcpl);
-    fmt::print("NCrystal support:      {}\n", ncrystal);
     fmt::print("Coverage testing:      {}\n", coverage);
     fmt::print("Profiling flags:       {}\n", profiling);
     fmt::print("UWUW support:          {}\n", uwuw);
diff --git a/src/source.cpp b/src/source.cpp
index 2116809f2..c1b4ce260 100644
--- a/src/source.cpp
+++ b/src/source.cpp
@@ -4,7 +4,7 @@
 #define HAS_DYNAMIC_LINKING
 #endif
 
-#include <algorithm> // for move
+#include <utility> // for move
 
 #ifdef HAS_DYNAMIC_LINKING
 #include <dlfcn.h> // for dlopen, dlsym, dlclose, dlerror
diff --git a/tests/regression_tests/ncrystal/test.py b/tests/regression_tests/ncrystal/test.py
index e1c1e5ed6..8da05e1cf 100644
--- a/tests/regression_tests/ncrystal/test.py
+++ b/tests/regression_tests/ncrystal/test.py
@@ -6,12 +6,13 @@ import numpy as np
 import openmc
 import openmc.lib
 import pytest
+import shutil
 
 from tests.testing_harness import PyAPITestHarness
 
 pytestmark = pytest.mark.skipif(
-    not openmc.lib._ncrystal_enabled(),
-    reason="NCrystal materials are not enabled.")
+    not shutil.which('ncrystal-config'),
+    reason="NCrystal is not installed.")
 
 
 def pencil_beam_model(cfg, E0, N):
diff --git a/tools/ci/gha-install.py b/tools/ci/gha-install.py
index 1eb9a55b4..1cc792f8d 100644
--- a/tools/ci/gha-install.py
+++ b/tools/ci/gha-install.py
@@ -3,7 +3,7 @@ import shutil
 import subprocess
 
 
-def install(omp=False, mpi=False, phdf5=False, dagmc=False, libmesh=False, ncrystal=False):
+def install(omp=False, mpi=False, phdf5=False, dagmc=False, libmesh=False):
     # Create build directory and change to it
     shutil.rmtree('build', ignore_errors=True)
     os.mkdir('build')
@@ -40,9 +40,6 @@ def install(omp=False, mpi=False, phdf5=False, dagmc=False, libmesh=False, ncrys
         libmesh_path = os.environ.get('HOME') + '/LIBMESH'
         cmake_cmd.append('-DCMAKE_PREFIX_PATH=' + libmesh_path)
 
-    if ncrystal:
-        cmake_cmd.append('-DOPENMC_USE_NCRYSTAL=ON')
-
     # Build in coverage mode for coverage testing
     cmake_cmd.append('-DOPENMC_ENABLE_COVERAGE=on')
 
@@ -59,11 +56,10 @@ def main():
     mpi = (os.environ.get('MPI') == 'y')
     phdf5 = (os.environ.get('PHDF5') == 'y')
     dagmc = (os.environ.get('DAGMC') == 'y')
-    ncrystal = (os.environ.get('NCRYSTAL') == 'y')
     libmesh = (os.environ.get('LIBMESH') == 'y')
 
     # Build and install
-    install(omp, mpi, phdf5, dagmc, libmesh, ncrystal)
+    install(omp, mpi, phdf5, dagmc, libmesh)
 
 if __name__ == '__main__':
     main()
diff --git a/tools/ci/gha-install.sh b/tools/ci/gha-install.sh
index 50f110ed4..d8a3a7600 100755
--- a/tools/ci/gha-install.sh
+++ b/tools/ci/gha-install.sh
@@ -14,12 +14,9 @@ if [[ $DAGMC = 'y' ]]; then
     ./tools/ci/gha-install-dagmc.sh
 fi
 
-# Install NCrystal if needed
-if [[ $NCRYSTAL = 'y' ]]; then
-    pip install 'ncrystal>=4.0.0'
-    #Basic quick verification:
-    nctool --test
-fi
+# Install NCrystal and verify installation
+pip install 'ncrystal>=4.1.0'
+nctool --test
 
 # Install vectfit for WMP generation if needed
 if [[ $VECTFIT = 'y' ]]; then
diff --git a/tools/ci/gha-script.sh b/tools/ci/gha-script.sh
index 4733907eb..c7c634ffa 100755
--- a/tools/ci/gha-script.sh
+++ b/tools/ci/gha-script.sh
@@ -14,10 +14,5 @@ if [[ $EVENT == 'y' ]]; then
   args="${args} --event "
 fi
 
-# Check NCrystal installation
-if [[ $NCRYSTAL = 'y' ]]; then
-  nctool --test
-fi
-
 # Run regression and unit tests
 pytest --cov=openmc -v $args tests

From 557b714d8753fa9cf0e70a5fc6cdb52f8df0bdad Mon Sep 17 00:00:00 2001
From: Lewis Gross <43077972+lewisgross1296@users.noreply.github.com>
Date: Wed, 5 Mar 2025 19:07:50 -0600
Subject: [PATCH 2269/2654] add continue feature for depletion (#3272)

Co-authored-by: Connor Moreno <camoreno@wisc.edu>
Co-authored-by: Patrick Shriwise <pshriwise@gmail.com>
Co-authored-by: Lewis Gross <ligross@cnerg-docker-04.neep.wisc.edu>
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/deplete/abc.py                     | 75 ++++++++++++++++++----
 openmc/deplete/results.py                 | 34 ++++++++--
 tests/unit_tests/test_deplete_continue.py | 76 +++++++++++++++++++++++
 3 files changed, 169 insertions(+), 16 deletions(-)
 create mode 100644 tests/unit_tests/test_deplete_continue.py

diff --git a/openmc/deplete/abc.py b/openmc/deplete/abc.py
index fc98239a5..ab087b98e 100644
--- a/openmc/deplete/abc.py
+++ b/openmc/deplete/abc.py
@@ -1,6 +1,7 @@
 """abc module.
 
-This module contains Abstract Base Classes for implementing operator, integrator, depletion system solver, and operator helper classes
+This module contains Abstract Base Classes for implementing operator,
+integrator, depletion system solver, and operator helper classes
 """
 
 from __future__ import annotations
@@ -24,7 +25,8 @@ from openmc.utility_funcs import change_directory
 from openmc import Material
 from .stepresult import StepResult
 from .chain import Chain
-from .results import Results
+from .results import Results, _SECONDS_PER_MINUTE, _SECONDS_PER_HOUR, \
+    _SECONDS_PER_DAY, _SECONDS_PER_JULIAN_YEAR
 from .pool import deplete
 from .reaction_rates import ReactionRates
 from .transfer_rates import TransferRates
@@ -36,12 +38,6 @@ __all__ = [
     "Integrator", "SIIntegrator", "DepSystemSolver", "add_params"]
 
 
-_SECONDS_PER_MINUTE = 60
-_SECONDS_PER_HOUR = 60*60
-_SECONDS_PER_DAY = 24*60*60
-_SECONDS_PER_JULIAN_YEAR = 365.25*24*60*60
-
-
 def _normalize_timesteps(
         timesteps: Sequence[float] | Sequence[tuple[float, str]],
         source_rates: float | Sequence[float],
@@ -572,6 +568,18 @@ class Integrator(ABC):
         :attr:`solver`.
 
         .. versionadded:: 0.12
+    continue_timesteps : bool, optional
+        Whether or not to treat the current solve as a continuation of a
+        previous simulation. Defaults to `False`. When `False`, the depletion
+        steps provided are appended to any previous steps. If `True`, the
+        timesteps provided to the `Integrator` must exacly match any that
+        exist in the `prev_results` passed to the `Operator`. The `power`,
+        `power_density`, or `source_rates` must match as well. The
+        method of specifying `power`, `power_density`, or
+        `source_rates` should be the same as the initial run.
+
+        .. versionadded:: 0.15.1
+
     Attributes
     ----------
     operator : openmc.deplete.abc.TransportOperator
@@ -613,7 +621,8 @@ class Integrator(ABC):
             power_density: Optional[Union[float, Sequence[float]]] = None,
             source_rates: Optional[Union[float, Sequence[float]]] = None,
             timestep_units: str = 's',
-            solver: str = "cram48"
+            solver: str = "cram48",
+            continue_timesteps: bool = False,
         ):
         # Check number of stages previously used
         if operator.prev_res is not None:
@@ -625,6 +634,8 @@ class Integrator(ABC):
                     "this uses {}".format(
                         self.__class__.__name__, res.data.shape[0],
                         self._num_stages))
+        elif continue_timesteps:
+            raise ValueError("Continuation run requires passing prev_results.")
         self.operator = operator
         self.chain = operator.chain
 
@@ -642,6 +653,35 @@ class Integrator(ABC):
         # Normalize timesteps and source rates
         seconds, source_rates = _normalize_timesteps(
             timesteps, source_rates, timestep_units, operator)
+
+        if continue_timesteps:
+            # Get timesteps and source rates from previous results
+            prev_times = operator.prev_res.get_times(timestep_units)
+            prev_source_rates = operator.prev_res.get_source_rates()
+            prev_timesteps = np.diff(prev_times)
+
+            # Make sure parameters from the previous results are consistent with
+            # those passed to operator
+            num_prev = len(prev_timesteps)
+            if not np.array_equal(prev_timesteps, timesteps[:num_prev]):
+                raise ValueError(
+                    "You are attempting to continue a run in which the previous timesteps "
+                    "do not have the same initial timesteps as those provided to the "
+                    "Integrator. Please make sure you are using the correct timesteps."
+                )
+            if not np.array_equal(prev_source_rates, source_rates[:num_prev]):
+                raise ValueError(
+                    "You are attempting to continue a run in which the previous results "
+                    "do not have the same initial source rates, powers, or power densities "
+                    "as those provided to the Integrator. Please make sure you are using "
+                    "the correct powers, power densities, or source rates and previous "
+                    "results file."
+                )
+
+            # Run with only the new time steps and source rates provided
+            seconds = seconds[num_prev:]
+            source_rates = source_rates[num_prev:]
+
         self.timesteps = np.asarray(seconds)
         self.source_rates = np.asarray(source_rates)
 
@@ -932,6 +972,18 @@ class SIIntegrator(Integrator):
         :attr:`solver`.
 
         .. versionadded:: 0.12
+    continue_timesteps : bool, optional
+        Whether or not to treat the current solve as a continuation of a
+        previous simulation. Defaults to `False`. If `False`, all time
+        steps and source rates will be run in an append fashion and will run
+        after whatever time steps exist, if any. If `True`, the timesteps
+        provided to the `Integrator` must match exactly those that exist
+        in the `prev_results` passed to the `Opereator`. The `power`,
+        `power_density`, or `source_rates` must match as well. The
+        method of specifying `power`, `power_density`, or
+        `source_rates` should be the same as the initial run.
+
+        .. versionadded:: 0.15.1
 
     Attributes
     ----------
@@ -973,13 +1025,14 @@ class SIIntegrator(Integrator):
             source_rates: Optional[Sequence[float]] = None,
             timestep_units: str = 's',
             n_steps: int = 10,
-            solver: str = "cram48"
+            solver: str = "cram48",
+            continue_timesteps: bool = False,
         ):
         check_type("n_steps", n_steps, Integral)
         check_greater_than("n_steps", n_steps, 0)
         super().__init__(
             operator, timesteps, power, power_density, source_rates,
-            timestep_units=timestep_units, solver=solver)
+            timestep_units=timestep_units, solver=solver, continue_timesteps=continue_timesteps)
         self.n_steps = n_steps
 
     def _get_bos_data_from_operator(self, step_index, step_power, n_bos):
diff --git a/openmc/deplete/results.py b/openmc/deplete/results.py
index f897a8842..132ec572c 100644
--- a/openmc/deplete/results.py
+++ b/openmc/deplete/results.py
@@ -17,6 +17,11 @@ from openmc.checkvalue import PathLike
 
 __all__ = ["Results", "ResultsList"]
 
+_SECONDS_PER_MINUTE = 60
+_SECONDS_PER_HOUR = 60*60
+_SECONDS_PER_DAY = 24*60*60
+_SECONDS_PER_JULIAN_YEAR = 365.25*24*60*60  # 365.25 due to the leap year
+
 
 def _get_time_as(seconds: float, units: str) -> float:
     """Converts the time in seconds to time in different units
@@ -31,13 +36,13 @@ def _get_time_as(seconds: float, units: str) -> float:
 
     """
     if units == "a":
-        return seconds / (60 * 60 * 24 * 365.25)  # 365.25 due to the leap year
+        return seconds / _SECONDS_PER_JULIAN_YEAR
     if units == "d":
-        return seconds / (60 * 60 * 24)
+        return seconds / _SECONDS_PER_DAY
     elif units == "h":
-        return seconds / (60 * 60)
+        return seconds / _SECONDS_PER_HOUR
     elif units == "min":
-        return seconds / 60
+        return seconds / _SECONDS_PER_MINUTE
     else:
         return seconds
 
@@ -71,7 +76,6 @@ class Results(list):
                     data.append(StepResult.from_hdf5(fh, i))
         super().__init__(data)
 
-
     @classmethod
     def from_hdf5(cls, filename: PathLike):
         """Load in depletion results from a previous file
@@ -460,6 +464,26 @@ class Results(list):
 
         return _get_time_as(times, time_units)
 
+    def get_source_rates(self) -> np.ndarray:
+        """
+        .. versionadded:: 0.15.1
+
+        Returns
+        -------
+        numpy.ndarray
+            1-D vector of source rates at each point in the depletion simulation
+            with the units originally defined by the user.
+
+        """
+        # Results duplicate the final source rate at the final simulation time
+        source_rates = np.fromiter(
+            (r.source_rate for r in self),
+            dtype=self[0].source_rate.dtype,
+            count=len(self)-1,
+        )
+
+        return source_rates
+
     def get_step_where(
         self, time, time_units: str = "d", atol: float = 1e-6, rtol: float = 1e-3
     ) -> int:
diff --git a/tests/unit_tests/test_deplete_continue.py b/tests/unit_tests/test_deplete_continue.py
new file mode 100644
index 000000000..53c4c56d2
--- /dev/null
+++ b/tests/unit_tests/test_deplete_continue.py
@@ -0,0 +1,76 @@
+"""Unit tests for openmc.deplete continue run capability.
+
+These tests run in two steps: first a normal run and then a continue run using the previous results
+"""
+
+import pytest
+import openmc.deplete
+
+from tests import dummy_operator
+
+
+def test_continue(run_in_tmpdir):
+    """Test to ensure that a properly defined continue run works"""
+    # set up the problem
+    bundle = dummy_operator.SCHEMES['predictor']
+    operator = dummy_operator.DummyOperator()
+
+    # initial depletion
+    bundle.solver(operator, [1.0, 2.0], [1.0, 2.0]).integrate()
+
+    # set up continue run
+    prev_res = openmc.deplete.Results(operator.output_dir / "depletion_results.h5")
+    operator = dummy_operator.DummyOperator(prev_res)
+
+    # if continue run happens, test passes
+    bundle.solver(operator, [1.0, 2.0, 3.0, 4.0], [1.0, 2.0, 3.0, 4.0],
+                  continue_timesteps=True).integrate()
+
+
+def test_mismatched_initial_times(run_in_tmpdir):
+    """Test to ensure that a continue run with different initial steps is properly caught"""
+    # set up the problem
+    bundle = dummy_operator.SCHEMES['predictor']
+    operator = dummy_operator.DummyOperator()
+
+    # perform initial steps
+    bundle.solver(operator, [0.75, 0.75], [1.0, 1.0]).integrate()
+
+    # restart
+    prev_res = openmc.deplete.Results(operator.output_dir / "depletion_results.h5")
+    operator = dummy_operator.DummyOperator(prev_res)
+
+    with pytest.raises(
+        ValueError,
+        match="You are attempting to continue a run in which the previous timesteps "
+        "do not have the same initial timesteps as those provided to the "
+        "Integrator. Please make sure you are using the correct timesteps.",
+    ):
+        bundle.solver(
+            operator, [0.75, 0.5, 0.75], [1.0, 1.0, 1.0], continue_timesteps=True
+        ).integrate()
+
+
+def test_mismatched_initial_source_rates(run_in_tmpdir):
+    """Test to ensure that a continue run with different initial steps is properly caught"""
+    # set up the problem
+    bundle = dummy_operator.SCHEMES['predictor']
+    operator = dummy_operator.DummyOperator()
+
+    # perform initial steps
+    bundle.solver(operator, [0.75, 0.75], [1.0, 1.0]).integrate()
+
+    # restart
+    prev_res = openmc.deplete.Results(operator.output_dir / "depletion_results.h5")
+    operator = dummy_operator.DummyOperator(prev_res)
+
+    with pytest.raises(
+        ValueError,
+        match="You are attempting to continue a run in which the previous results "
+        "do not have the same initial source rates, powers, or power densities "
+        "as those provided to the Integrator. Please make sure you are using "
+        "the correct powers, power densities, or source rates and previous results file.",
+    ):
+        bundle.solver(
+            operator, [0.75, 0.75, 0.75], [1.0, 2.0, 1.0], continue_timesteps=True
+        ).integrate()

From e878933b9027fa8cdef9852c806cccba908844eb Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 5 Mar 2025 23:48:04 -0600
Subject: [PATCH 2270/2654] Fix bug in Mesh::material_volumes for void
 materials (#3337)

---
 include/openmc/mesh.h |  4 ---
 src/mesh.cpp          | 66 ++++++++++++++++++++++++++++---------------
 2 files changed, 44 insertions(+), 26 deletions(-)

diff --git a/include/openmc/mesh.h b/include/openmc/mesh.h
index 943e49a5f..8faf45f1b 100644
--- a/include/openmc/mesh.h
+++ b/include/openmc/mesh.h
@@ -119,10 +119,6 @@ private:
   double* volumes_;         //!< volume in [cm^3] (bins, table_size)
   int table_size_;          //!< Size of hash table for each mesh element
   bool table_full_ {false}; //!< Whether the hash table is full
-
-  // Value used to indicate an empty slot in the hash table. We use -2 because
-  // the value -1 is used to indicate a void material.
-  static constexpr int EMPTY {-2};
 };
 
 } // namespace detail
diff --git a/src/mesh.cpp b/src/mesh.cpp
index a24b51a0b..101da7468 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -69,6 +69,10 @@ const bool LIBMESH_ENABLED = true;
 const bool LIBMESH_ENABLED = false;
 #endif
 
+// Value used to indicate an empty slot in the hash table. We use -2 because
+// the value -1 is used to indicate a void material.
+constexpr int32_t EMPTY = -2;
+
 namespace model {
 
 std::unordered_map<int32_t, int32_t> mesh_map;
@@ -113,7 +117,7 @@ inline bool check_intersection_point(double x1, double x0, double y1, double y0,
 //! Atomic compare-and-swap for signed 32-bit integer
 //
 //! \param[in,out] ptr Pointer to value to update
-//! \param[in] expected Value to compare to
+//! \param[in,out] expected Value to compare to
 //! \param[in] desired If comparison is successful, value to update to
 //! \return True if the comparison was successful and the value was updated
 inline bool atomic_cas_int32(int32_t* ptr, int32_t& expected, int32_t desired)
@@ -152,8 +156,10 @@ void MaterialVolumes::add_volume(
 
   // Loop for linear probing
   for (int attempt = 0; attempt < table_size_; ++attempt) {
-    // Determine slot to check
+    // Determine slot to check, making sure it is positive
     int slot = (index_material + attempt) % table_size_;
+    if (slot < 0)
+      slot += table_size_;
     int32_t* slot_ptr = &this->materials(index_elem, slot);
 
     // Non-atomic read of current material
@@ -192,7 +198,10 @@ void MaterialVolumes::add_volume_unsafe(
 {
   // Linear probe
   for (int attempt = 0; attempt < table_size_; ++attempt) {
+    // Determine slot to check, making sure it is positive
     int slot = (index_material + attempt) % table_size_;
+    if (slot < 0)
+      slot += table_size_;
 
     // Read current material
     int32_t current_val = this->materials(index_elem, slot);
@@ -274,13 +283,15 @@ void Mesh::material_volumes(int nx, int ny, int nz, int table_size,
   if (mpi::master) {
     header("MESH MATERIAL VOLUMES CALCULATION", 7);
   }
+  write_message(7, "Number of mesh elements = {}", n_bins());
   write_message(7, "Number of rays (x) = {}", nx);
   write_message(7, "Number of rays (y) = {}", ny);
   write_message(7, "Number of rays (z) = {}", nz);
-  int64_t n_total = nx * ny + ny * nz + nx * nz;
+  int64_t n_total = static_cast<int64_t>(nx) * ny +
+                    static_cast<int64_t>(ny) * nz +
+                    static_cast<int64_t>(nx) * nz;
   write_message(7, "Total number of rays = {}", n_total);
-  write_message(
-    7, "Maximum number of materials per mesh element = {}", table_size);
+  write_message(7, "Table size per mesh element = {}", table_size);
 
   Timer timer;
   timer.start();
@@ -294,8 +305,9 @@ void Mesh::material_volumes(int nx, int ny, int nz, int table_size,
   std::array<int, 3> n_rays = {nx, ny, nz};
 
   // Determine effective width of rays
-  Position width((bbox.xmax - bbox.xmin) / nx, (bbox.ymax - bbox.ymin) / ny,
-    (bbox.zmax - bbox.zmin) / nz);
+  Position width((nx > 0) ? (bbox.xmax - bbox.xmin) / nx : 0.0,
+    (ny > 0) ? (bbox.ymax - bbox.ymin) / ny : 0.0,
+    (nz > 0) ? (bbox.zmax - bbox.zmin) / nz : 0.0);
 
   // Set flag for mesh being contained within model
   bool out_of_model = false;
@@ -327,6 +339,9 @@ void Mesh::material_volumes(int nx, int ny, int nz, int table_size,
       double d2 = width[ax2];
       int n1 = n_rays[ax1];
       int n2 = n_rays[ax2];
+      if (n1 == 0 || n2 == 0) {
+        continue;
+      }
 
       // Divide rays in first direction over MPI processes by computing starting
       // and ending indices
@@ -442,8 +457,8 @@ void Mesh::material_volumes(int nx, int ny, int nz, int table_size,
 
       for (int i = 1; i < mpi::n_procs; ++i) {
         // Receive material indices and volumes from process i
-        MPI_Recv(
-          mats.data(), total, MPI_INT, i, i, mpi::intracomm, MPI_STATUS_IGNORE);
+        MPI_Recv(mats.data(), total, MPI_INT32_T, i, i, mpi::intracomm,
+          MPI_STATUS_IGNORE);
         MPI_Recv(vols.data(), total, MPI_DOUBLE, i, i, mpi::intracomm,
           MPI_STATUS_IGNORE);
 
@@ -453,13 +468,15 @@ void Mesh::material_volumes(int nx, int ny, int nz, int table_size,
         for (int index_elem = 0; index_elem < n_bins(); ++index_elem) {
           for (int k = 0; k < table_size; ++k) {
             int index = index_elem * table_size + k;
-            result.add_volume_unsafe(index_elem, mats[index], vols[index]);
+            if (mats[index] != EMPTY) {
+              result.add_volume_unsafe(index_elem, mats[index], vols[index]);
+            }
           }
         }
       }
     } else {
       // Send material indices and volumes to process 0
-      MPI_Send(materials, total, MPI_INT, 0, mpi::rank, mpi::intracomm);
+      MPI_Send(materials, total, MPI_INT32_T, 0, mpi::rank, mpi::intracomm);
       MPI_Send(volumes, total, MPI_DOUBLE, 0, mpi::rank, mpi::intracomm);
     }
   }
@@ -484,19 +501,24 @@ void Mesh::material_volumes(int nx, int ny, int nz, int table_size,
     }
   }
 
-  // Show elapsed time
+  // Get total time and normalization time
   timer.stop();
   double t_total = timer.elapsed();
-  double t_normalize = t_total - t_raytrace - t_mpi;
-  if (mpi::master) {
-    header("Timing Statistics", 7);
-    show_time("Total time elapsed", t_total);
-    show_time("Ray tracing", t_raytrace, 1);
-    show_time("Ray tracing (per ray)", t_raytrace / n_total, 1);
-    show_time("MPI communication", t_mpi, 1);
-    show_time("Normalization", t_normalize, 1);
-    std::fflush(stdout);
-  }
+  double t_norm = t_total - t_raytrace - t_mpi;
+
+  // Show timing statistics
+  if (settings::verbosity < 7 || !mpi::master)
+    return;
+  header("Timing Statistics", 7);
+  fmt::print(" Total time elapsed            = {:.4e} seconds\n", t_total);
+  fmt::print("   Ray tracing                 = {:.4e} seconds\n", t_raytrace);
+  fmt::print("   MPI communication           = {:.4e} seconds\n", t_mpi);
+  fmt::print("   Normalization               = {:.4e} seconds\n", t_norm);
+  fmt::print(" Calculation rate              = {:.4e} rays/seconds\n",
+    n_total / t_raytrace);
+  fmt::print(" Calculation rate (per thread) = {:.4e} rays/seconds\n",
+    n_total / (t_raytrace * mpi::n_procs * num_threads()));
+  std::fflush(stdout);
 }
 
 void Mesh::to_hdf5(hid_t group) const

From e12c65dff91e5654210a1a5b82f4bf57a0203386 Mon Sep 17 00:00:00 2001
From: Stefano Segantin <92783079+SteSeg@users.noreply.github.com>
Date: Thu, 6 Mar 2025 08:44:10 -0500
Subject: [PATCH 2271/2654] openmc.Material.mix_materials() allows for **kwargs
 (#3336)

---
 openmc/material.py                | 15 +++++++--------
 tests/unit_tests/test_material.py |  6 ++++--
 2 files changed, 11 insertions(+), 10 deletions(-)

diff --git a/openmc/material.py b/openmc/material.py
index b104b374e..f40ac805f 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -1467,7 +1467,7 @@ class Material(IDManagerMixin):
 
     @classmethod
     def mix_materials(cls, materials, fracs: Iterable[float],
-                      percent_type: str = 'ao', name: str | None = None) -> Material:
+                      percent_type: str = 'ao', **kwargs) -> Material:
         """Mix materials together based on atom, weight, or volume fractions
 
         .. versionadded:: 0.12
@@ -1482,10 +1482,8 @@ class Material(IDManagerMixin):
             Type of percentage, must be one of 'ao', 'wo', or 'vo', to signify atom
             percent (molar percent), weight percent, or volume percent,
             optional. Defaults to 'ao'
-        name : str
-            The name for the new material, optional. Defaults to concatenated
-            names of input materials with percentages indicated inside
-            parentheses.
+        **kwargs
+            Keyword arguments passed to :class:`openmc.Material`
 
         Returns
         -------
@@ -1544,10 +1542,11 @@ class Material(IDManagerMixin):
                                     openmc.data.AVOGADRO
 
         # Create the new material with the desired name
-        if name is None:
-            name = '-'.join([f'{m.name}({f})' for m, f in
+        if "name" not in kwargs:
+            kwargs["name"] = '-'.join([f'{m.name}({f})' for m, f in
                              zip(materials, fracs)])
-        new_mat = cls(name=name)
+
+        new_mat = cls(**kwargs)
 
         # Compute atom fractions of nuclides and add them to the new material
         tot_nuclides_per_cc = np.sum([dens for dens in nuclides_per_cc.values()])
diff --git a/tests/unit_tests/test_material.py b/tests/unit_tests/test_material.py
index ec55a7756..cb71cd09b 100644
--- a/tests/unit_tests/test_material.py
+++ b/tests/unit_tests/test_material.py
@@ -533,11 +533,13 @@ def test_mix_materials():
     dens4 = 1. / (f0 / m1dens + f1 / m2dens)
     dens5 = f0*m1dens + f1*m2dens
     m3 = openmc.Material.mix_materials([m1, m2], [f0, f1], percent_type='ao')
-    m4 = openmc.Material.mix_materials([m1, m2], [f0, f1], percent_type='wo')
-    m5 = openmc.Material.mix_materials([m1, m2], [f0, f1], percent_type='vo')
+    m4 = openmc.Material.mix_materials([m1, m2], [f0, f1], percent_type='wo', material_id=999)
+    m5 = openmc.Material.mix_materials([m1, m2], [f0, f1], percent_type='vo', name='m5')
     assert m3.density == pytest.approx(dens3)
     assert m4.density == pytest.approx(dens4)
     assert m5.density == pytest.approx(dens5)
+    assert m4.id == 999
+    assert m5.name == 'm5'
 
 
 def test_get_activity():

From e360cb467e9b97412c4fcbfbc58c0ff4226b5014 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Thu, 6 Mar 2025 17:39:05 +0100
Subject: [PATCH 2272/2654] added stable and unstable nuclides to the Chain
 object (#3338)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/deplete/chain.py                | 20 ++++++++++++++++++--
 tests/unit_tests/test_deplete_chain.py |  8 ++++++++
 2 files changed, 26 insertions(+), 2 deletions(-)

diff --git a/openmc/deplete/chain.py b/openmc/deplete/chain.py
index 2e81250dc..4998a2c3d 100644
--- a/openmc/deplete/chain.py
+++ b/openmc/deplete/chain.py
@@ -12,6 +12,7 @@ from collections import defaultdict, namedtuple
 from collections.abc import Mapping, Iterable
 from numbers import Real, Integral
 from warnings import warn
+from typing import List
 
 import lxml.etree as ET
 import scipy.sparse as sp
@@ -244,6 +245,10 @@ class Chain:
         Reactions that are tracked in the depletion chain
     nuclide_dict : dict of str to int
         Maps a nuclide name to an index in nuclides.
+    stable_nuclides : list of openmc.deplete.Nuclide
+        List of stable nuclides available in the chain.
+    unstable_nuclides : list of openmc.deplete.Nuclide
+        List of unstable nuclides available in the chain.
     fission_yields : None or iterable of dict
         List of effective fission yields for materials. Each dictionary
         should be of the form ``{parent: {product: yield}}`` with
@@ -256,7 +261,7 @@ class Chain:
     """
 
     def __init__(self):
-        self.nuclides = []
+        self.nuclides: List[Nuclide] = []
         self.reactions = []
         self.nuclide_dict = {}
         self._fission_yields = None
@@ -272,7 +277,18 @@ class Chain:
         """Number of nuclides in chain."""
         return len(self.nuclides)
 
-    def add_nuclide(self, nuclide):
+
+    @property
+    def stable_nuclides(self) -> List[Nuclide]:
+        """List of stable nuclides available in the chain"""
+        return [nuc for nuc in self.nuclides if nuc.half_life is None]
+
+    @property
+    def unstable_nuclides(self) -> List[Nuclide]:
+        """List of unstable nuclides available in the chain"""
+        return [nuc for nuc in self.nuclides if nuc.half_life is not None]
+
+    def add_nuclide(self, nuclide: Nuclide):
         """Add a nuclide to the depletion chain
 
         Parameters
diff --git a/tests/unit_tests/test_deplete_chain.py b/tests/unit_tests/test_deplete_chain.py
index 9753a53f7..13267cb05 100644
--- a/tests/unit_tests/test_deplete_chain.py
+++ b/tests/unit_tests/test_deplete_chain.py
@@ -86,6 +86,14 @@ def test_from_endf(endf_chain):
         assert nuc == chain[nuc.name]
 
 
+def test_unstable_nuclides(simple_chain: Chain):
+    assert [nuc.name for nuc in simple_chain.unstable_nuclides] == ["A", "B"]
+
+
+def test_stable_nuclides(simple_chain: Chain):
+    assert [nuc.name for nuc in simple_chain.stable_nuclides] == ["H1", "C"]
+
+
 def test_from_xml(simple_chain):
     """Read chain_test.xml and ensure all values are correct."""
     # Unfortunately, this routine touches a lot of the code, but most of

From 9bfce4ee1c65496f06b718a1fb9fb54d16f3a1a2 Mon Sep 17 00:00:00 2001
From: Stefano Segantin <92783079+SteSeg@users.noreply.github.com>
Date: Thu, 6 Mar 2025 16:33:26 -0500
Subject: [PATCH 2273/2654] Determine nuclides correctly for DAGMC models in
 d1s.get_radionuclides (#3335)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/deplete/d1s.py | 6 ++++--
 1 file changed, 4 insertions(+), 2 deletions(-)

diff --git a/openmc/deplete/d1s.py b/openmc/deplete/d1s.py
index 22fc6ec23..8f6bffa86 100644
--- a/openmc/deplete/d1s.py
+++ b/openmc/deplete/d1s.py
@@ -33,8 +33,10 @@ def get_radionuclides(model: openmc.Model, chain_file: str | None = None) -> lis
     List of nuclide names
 
     """
-    # Determine what nuclides appear in model
-    model_nuclides = set(model.geometry.get_all_nuclides())
+
+    # Determine what nuclides appear in the model
+    model_nuclides = {nuc for mat in model._materials_by_id.values()
+                      for nuc in mat.get_nuclides()}
 
     # Load chain file
     if chain_file is None:

From e8c9134ff6392e1e47c284d36607fc194c9537ac Mon Sep 17 00:00:00 2001
From: Perry <100789850+yrrepy@users.noreply.github.com>
Date: Thu, 6 Mar 2025 16:00:29 -0800
Subject: [PATCH 2274/2654] Add option for survival biasing source
 normalization (#3070)

Co-authored-by: Patrick Shriwise <pshriwise@gmail.com>
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 docs/source/io_formats/settings.rst |  7 ++++
 include/openmc/particle_data.h      | 13 +++++--
 include/openmc/settings.h           |  1 +
 openmc/settings.py                  | 53 +++++++++++++++++------------
 src/physics.cpp                     |  8 ++++-
 src/physics_mg.cpp                  |  8 ++++-
 src/settings.cpp                    |  5 +++
 src/simulation.cpp                  |  5 ++-
 tests/unit_tests/test_settings.py   |  2 ++
 9 files changed, 76 insertions(+), 26 deletions(-)

diff --git a/docs/source/io_formats/settings.rst b/docs/source/io_formats/settings.rst
index 5174cfd8b..0d5367727 100644
--- a/docs/source/io_formats/settings.rst
+++ b/docs/source/io_formats/settings.rst
@@ -81,6 +81,13 @@ time.
 
     *Default*: 1.0
 
+  :survival_normalization:
+    If this element is set to "true", this will enable the use of survival
+    biasing source normalization, whereby the weight parameters, weight and
+    weight_avg, are multiplied per history by the start weight of said history.
+
+    *Default*: false
+
   :energy_neutron:
     The energy under which neutrons will be killed.
 
diff --git a/include/openmc/particle_data.h b/include/openmc/particle_data.h
index 6b318385e..15ae57893 100644
--- a/include/openmc/particle_data.h
+++ b/include/openmc/particle_data.h
@@ -434,6 +434,7 @@ private:
   int g_last_;
 
   double wgt_ {1.0};
+  double wgt_born_ {1.0};
   double mu_;
   double time_ {0.0};
   double time_last_ {0.0};
@@ -532,12 +533,20 @@ public:
   int& g_last() { return g_last_; }
   const int& g_last() const { return g_last_; }
 
-  // Statistic weight of particle. Setting to zero
-  // indicates that the particle is dead.
+  // Statistic weight of particle. Setting to zero indicates that the particle
+  // is dead.
   double& wgt() { return wgt_; }
   double wgt() const { return wgt_; }
+
+  // Statistic weight of particle at birth
+  double& wgt_born() { return wgt_born_; }
+  double wgt_born() const { return wgt_born_; }
+
+  // Statistic weight of particle at last collision
   double& wgt_last() { return wgt_last_; }
   const double& wgt_last() const { return wgt_last_; }
+
+  // Whether particle is alive
   bool alive() const { return wgt_ != 0.0; }
 
   // Polar scattering angle after a collision
diff --git a/include/openmc/settings.h b/include/openmc/settings.h
index 12835fdef..f3aff08b0 100644
--- a/include/openmc/settings.h
+++ b/include/openmc/settings.h
@@ -61,6 +61,7 @@ extern bool surf_source_write;       //!< write surface source file?
 extern bool surf_mcpl_write;         //!< write surface mcpl file?
 extern bool surf_source_read;        //!< read surface source file?
 extern bool survival_biasing;        //!< use survival biasing?
+extern bool survival_normalization;  //!< use survival normalization?
 extern bool temperature_multipole;   //!< use multipole data?
 extern "C" bool trigger_on;          //!< tally triggers enabled?
 extern bool trigger_predict;         //!< predict batches for triggers?
diff --git a/openmc/settings.py b/openmc/settings.py
index 882a17b68..2f054ebd1 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -50,15 +50,19 @@ class Settings:
         Indicate whether fission neutrons should be created or not.
     cutoff : dict
         Dictionary defining weight cutoff, energy cutoff and time cutoff. The
-        dictionary may have ten keys, 'weight', 'weight_avg', 'energy_neutron',
-        'energy_photon', 'energy_electron', 'energy_positron', 'time_neutron',
-        'time_photon', 'time_electron', and 'time_positron'. Value for 'weight'
-        should be a float indicating weight cutoff below which particle undergo
-        Russian roulette. Value for 'weight_avg' should be a float indicating
-        weight assigned to particles that are not killed after Russian roulette.
-        Value of energy should be a float indicating energy in eV below which
-        particle type will be killed. Value of time should be a float in
-        seconds. Particles will be killed exactly at the specified time.
+        dictionary may have the following keys, 'weight', 'weight_avg',
+        'survival_normalization', 'energy_neutron', 'energy_photon',
+        'energy_electron', 'energy_positron', 'time_neutron', 'time_photon',
+        'time_electron', and 'time_positron'. Value for 'weight' should be a
+        float indicating weight cutoff below which particle undergo Russian
+        roulette. Value for 'weight_avg' should be a float indicating weight
+        assigned to particles that are not killed after Russian roulette. Value
+        of energy should be a float indicating energy in eV below which particle
+        type will be killed. Value of time should be a float in seconds.
+        Particles will be killed exactly at the specified time. Value for
+        'survival_normalization' is a bool indicating whether or not the weight
+        cutoff parameters will be applied relative to the particle's starting
+        weight or to its current weight.
     delayed_photon_scaling : bool
         Indicate whether to scale the fission photon yield by (EGP + EGD)/EGP
         where EGP is the energy release of prompt photons and EGD is the energy
@@ -162,20 +166,20 @@ class Settings:
             'naive', 'simulation_averaged', or 'hybrid'.
             The default is 'hybrid'.
         :source_shape:
-            Assumed shape of the source distribution within each source
-            region. Options are 'flat' (default), 'linear', or 'linear_xy'.
+            Assumed shape of the source distribution within each source region.
+            Options are 'flat' (default), 'linear', or 'linear_xy'.
         :volume_normalized_flux_tallies:
-            Whether to normalize flux tallies by volume (bool). The default
-            is 'False'. When enabled, flux tallies will be reported in units of
-            cm/cm^3. When disabled, flux tallies will be reported in units
-            of cm (i.e., total distance traveled by neutrons in the spatial
-            tally region).
+            Whether to normalize flux tallies by volume (bool). The default is
+            'False'. When enabled, flux tallies will be reported in units of
+            cm/cm^3. When disabled, flux tallies will be reported in units of cm
+            (i.e., total distance traveled by neutrons in the spatial tally
+            region).
         :adjoint:
             Whether to run the random ray solver in adjoint mode (bool). The
             default is 'False'.
         :sample_method:
-            Sampling method for the ray starting location and direction of travel.
-            Options are `prng` (default) or 'halton`.
+            Sampling method for the ray starting location and direction of
+            travel. Options are `prng` (default) or 'halton`.
 
         .. versionadded:: 0.15.0
     resonance_scattering : dict
@@ -899,6 +903,8 @@ class Settings:
                 cv.check_type('average survival weight', cutoff[key], Real)
                 cv.check_greater_than('average survival weight',
                                       cutoff[key], 0.0)
+            elif key == 'survival_normalization':
+                cv.check_type('survival normalization', cutoff[key], bool)
             elif key in ['energy_neutron', 'energy_photon', 'energy_electron',
                          'energy_positron']:
                 cv.check_type('energy cutoff', cutoff[key], Real)
@@ -1364,7 +1370,8 @@ class Settings:
             element = ET.SubElement(root, "cutoff")
             for key, value in self._cutoff.items():
                 subelement = ET.SubElement(element, key)
-                subelement.text = str(value)
+                subelement.text = str(value) if key != 'survival_normalization' \
+                    else str(value).lower()
 
     def _create_entropy_mesh_subelement(self, root, mesh_memo=None):
         if self.entropy_mesh is None:
@@ -1797,10 +1804,14 @@ class Settings:
             self.cutoff = {}
             for key in ('energy_neutron', 'energy_photon', 'energy_electron',
                         'energy_positron', 'weight', 'weight_avg', 'time_neutron',
-                        'time_photon', 'time_electron', 'time_positron'):
+                        'time_photon', 'time_electron', 'time_positron',
+                        'survival_normalization'):
                 value = get_text(elem, key)
                 if value is not None:
-                    self.cutoff[key] = float(value)
+                    if key == 'survival_normalization':
+                        self.cutoff[key] = value in ('true', '1')
+                    else:
+                        self.cutoff[key] = float(value)
 
     def _entropy_mesh_from_xml_element(self, root, meshes):
         text = get_text(root, 'entropy_mesh')
diff --git a/src/physics.cpp b/src/physics.cpp
index e04f54c0b..72c04a5ca 100644
--- a/src/physics.cpp
+++ b/src/physics.cpp
@@ -153,7 +153,13 @@ void sample_neutron_reaction(Particle& p)
 
   // Play russian roulette if survival biasing is turned on
   if (settings::survival_biasing) {
-    if (p.wgt() < settings::weight_cutoff) {
+    // if survival normalization is on, use normalized weight cutoff and
+    // normalized weight survive
+    if (settings::survival_normalization) {
+      if (p.wgt() < settings::weight_cutoff * p.wgt_born()) {
+        russian_roulette(p, settings::weight_survive * p.wgt_born());
+      }
+    } else if (p.wgt() < settings::weight_cutoff) {
       russian_roulette(p, settings::weight_survive);
     }
   }
diff --git a/src/physics_mg.cpp b/src/physics_mg.cpp
index e381b27c9..c97a3d6f3 100644
--- a/src/physics_mg.cpp
+++ b/src/physics_mg.cpp
@@ -68,7 +68,13 @@ void sample_reaction(Particle& p)
 
   // Play Russian roulette if survival biasing is turned on
   if (settings::survival_biasing) {
-    if (p.wgt() < settings::weight_cutoff) {
+    // if survival normalization is applicable, use normalized weight cutoff and
+    // normalized weight survive
+    if (settings::survival_normalization) {
+      if (p.wgt() < settings::weight_cutoff * p.wgt_born()) {
+        russian_roulette(p, settings::weight_survive * p.wgt_born());
+      }
+    } else if (p.wgt() < settings::weight_cutoff) {
       russian_roulette(p, settings::weight_survive);
     }
   }
diff --git a/src/settings.cpp b/src/settings.cpp
index cd925be70..67fdfea66 100644
--- a/src/settings.cpp
+++ b/src/settings.cpp
@@ -69,6 +69,7 @@ bool surf_source_write {false};
 bool surf_mcpl_write {false};
 bool surf_source_read {false};
 bool survival_biasing {false};
+bool survival_normalization {false};
 bool temperature_multipole {false};
 bool trigger_on {false};
 bool trigger_predict {false};
@@ -624,6 +625,10 @@ void read_settings_xml(pugi::xml_node root)
     if (check_for_node(node_cutoff, "weight_avg")) {
       weight_survive = std::stod(get_node_value(node_cutoff, "weight_avg"));
     }
+    if (check_for_node(node_cutoff, "survival_normalization")) {
+      survival_normalization =
+        get_node_value_bool(node_cutoff, "survival_normalization");
+    }
     if (check_for_node(node_cutoff, "energy_neutron")) {
       energy_cutoff[0] =
         std::stod(get_node_value(node_cutoff, "energy_neutron"));
diff --git a/src/simulation.cpp b/src/simulation.cpp
index a3c6495ae..74a7dbe63 100644
--- a/src/simulation.cpp
+++ b/src/simulation.cpp
@@ -586,6 +586,9 @@ void initialize_history(Particle& p, int64_t index_source)
   // Reset weight window ratio
   p.ww_factor() = 0.0;
 
+  // set particle history start weight
+  p.wgt_born() = p.wgt();
+
   // Reset pulse_height_storage
   std::fill(p.pht_storage().begin(), p.pht_storage().end(), 0);
 
@@ -610,7 +613,7 @@ void initialize_history(Particle& p, int64_t index_source)
     write_message("Simulating Particle {}", p.id());
   }
 
-// Add paricle's starting weight to count for normalizing tallies later
+// Add particle's starting weight to count for normalizing tallies later
 #pragma omp atomic
   simulation::total_weight += p.wgt();
 
diff --git a/tests/unit_tests/test_settings.py b/tests/unit_tests/test_settings.py
index 02a476251..397d70434 100644
--- a/tests/unit_tests/test_settings.py
+++ b/tests/unit_tests/test_settings.py
@@ -26,6 +26,7 @@ def test_export_to_xml(run_in_tmpdir):
     s.plot_seed = 100
     s.survival_biasing = True
     s.cutoff = {'weight': 0.25, 'weight_avg': 0.5, 'energy_neutron': 1.0e-5,
+                'survival_normalization': True,
                 'energy_photon': 1000.0, 'energy_electron': 1.0e-5,
                 'energy_positron': 1.0e-5, 'time_neutron': 1.0e-5,
                 'time_photon': 1.0e-5, 'time_electron': 1.0e-5,
@@ -99,6 +100,7 @@ def test_export_to_xml(run_in_tmpdir):
     assert s.seed == 17
     assert s.survival_biasing
     assert s.cutoff == {'weight': 0.25, 'weight_avg': 0.5,
+                        'survival_normalization': True,
                         'energy_neutron': 1.0e-5, 'energy_photon': 1000.0,
                         'energy_electron': 1.0e-5, 'energy_positron': 1.0e-5,
                         'time_neutron': 1.0e-5, 'time_photon': 1.0e-5,

From 9b5678b5f03d87a54dea9a8a2d2d20d850206ec6 Mon Sep 17 00:00:00 2001
From: John Tramm <john.tramm@gmail.com>
Date: Thu, 6 Mar 2025 20:48:31 -0600
Subject: [PATCH 2275/2654] Random Ray Source Region Mesh Subdivision
 (Cell-Under-Voxel Geometry) (#3333)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 docs/source/_images/2x2_sr_mesh.png           |  Bin 0 -> 109424 bytes
 docs/source/io_formats/settings.rst           |   18 +
 docs/source/usersguide/random_ray.rst         |  100 +-
 docs/source/usersguide/variance_reduction.rst |   12 +-
 include/openmc/constants.h                    |    4 +
 .../openmc/random_ray/flat_source_domain.h    |   51 +-
 include/openmc/random_ray/parallel_map.h      |  193 +
 include/openmc/random_ray/random_ray.h        |   19 +-
 .../openmc/random_ray/random_ray_simulation.h |   10 +-
 include/openmc/random_ray/source_region.h     |  326 +-
 openmc/settings.py                            |   55 +-
 src/finalize.cpp                              |    3 +
 src/random_ray/flat_source_domain.cpp         |  466 +-
 src/random_ray/linear_source_domain.cpp       |   35 +-
 src/random_ray/random_ray.cpp                 |  315 +-
 src/random_ray/random_ray_simulation.cpp      |  185 +-
 src/random_ray/source_region.cpp              |  229 +-
 src/settings.cpp                              |   26 +
 src/weight_windows.cpp                        |   13 +-
 .../random_ray_fixed_source_mesh/__init__.py  |    0
 .../flat/inputs_true.dat                      |  271 +
 .../flat/results_true.dat                     |    9 +
 .../linear/inputs_true.dat                    |  271 +
 .../linear/results_true.dat                   |    9 +
 .../random_ray_fixed_source_mesh/test.py      |   53 +
 .../random_ray_k_eff_mesh/__init__.py         |    0
 .../random_ray_k_eff_mesh/inputs_true.dat     |  119 +
 .../random_ray_k_eff_mesh/results_true.dat    |  171 +
 .../random_ray_k_eff_mesh/test.py             |   36 +
 .../weightwindows_fw_cadis_mesh/__init__.py   |    0
 .../flat/inputs_true.dat                      |  265 +
 .../flat/results_true.dat                     | 6760 +++++++++++++++++
 .../linear/inputs_true.dat                    |  265 +
 .../linear/results_true.dat                   | 6760 +++++++++++++++++
 .../weightwindows_fw_cadis_mesh/test.py       |   49 +
 35 files changed, 16638 insertions(+), 460 deletions(-)
 create mode 100644 docs/source/_images/2x2_sr_mesh.png
 create mode 100644 include/openmc/random_ray/parallel_map.h
 create mode 100644 tests/regression_tests/random_ray_fixed_source_mesh/__init__.py
 create mode 100644 tests/regression_tests/random_ray_fixed_source_mesh/flat/inputs_true.dat
 create mode 100644 tests/regression_tests/random_ray_fixed_source_mesh/flat/results_true.dat
 create mode 100644 tests/regression_tests/random_ray_fixed_source_mesh/linear/inputs_true.dat
 create mode 100644 tests/regression_tests/random_ray_fixed_source_mesh/linear/results_true.dat
 create mode 100644 tests/regression_tests/random_ray_fixed_source_mesh/test.py
 create mode 100644 tests/regression_tests/random_ray_k_eff_mesh/__init__.py
 create mode 100644 tests/regression_tests/random_ray_k_eff_mesh/inputs_true.dat
 create mode 100644 tests/regression_tests/random_ray_k_eff_mesh/results_true.dat
 create mode 100644 tests/regression_tests/random_ray_k_eff_mesh/test.py
 create mode 100644 tests/regression_tests/weightwindows_fw_cadis_mesh/__init__.py
 create mode 100644 tests/regression_tests/weightwindows_fw_cadis_mesh/flat/inputs_true.dat
 create mode 100644 tests/regression_tests/weightwindows_fw_cadis_mesh/flat/results_true.dat
 create mode 100644 tests/regression_tests/weightwindows_fw_cadis_mesh/linear/inputs_true.dat
 create mode 100644 tests/regression_tests/weightwindows_fw_cadis_mesh/linear/results_true.dat
 create mode 100644 tests/regression_tests/weightwindows_fw_cadis_mesh/test.py

diff --git a/docs/source/_images/2x2_sr_mesh.png b/docs/source/_images/2x2_sr_mesh.png
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literal 0
HcmV?d00001

diff --git a/docs/source/io_formats/settings.rst b/docs/source/io_formats/settings.rst
index 0d5367727..a59d08049 100644
--- a/docs/source/io_formats/settings.rst
+++ b/docs/source/io_formats/settings.rst
@@ -470,6 +470,24 @@ found in the :ref:`random ray user guide <random_ray>`.
 
     *Default*: prng
 
+  :source_region_meshes:
+    Relates meshes to spatial domains for subdividing source regions with each domain.
+
+    :mesh:
+      Contains an ``id`` attribute and one or more ``<domain>`` sub-elements.
+
+      :id:
+        The unique identifier for the mesh.
+
+      :domain:
+        Each domain element has an ``id`` attribute and a ``type`` attribute.
+
+        :id:
+          The unique identifier for the domain.
+
+        :type:
+          The type of the domain. Can be ``material``, ``cell``, or ``universe``.
+
 ----------------------------------
 ``<resonance_scattering>`` Element
 ----------------------------------
diff --git a/docs/source/usersguide/random_ray.rst b/docs/source/usersguide/random_ray.rst
index eff1764d4..f28aed784 100644
--- a/docs/source/usersguide/random_ray.rst
+++ b/docs/source/usersguide/random_ray.rst
@@ -319,20 +319,24 @@ Default behavior using OpenMC's native PRNG can be manually specified as::
 
 .. _subdivision_fsr:
 
-----------------------------------
-Subdivision of Flat Source Regions
-----------------------------------
+-----------------------------
+Subdivision of Source Regions
+-----------------------------
 
-While the scattering and fission sources in Monte Carlo
-are treated continuously, they are assumed to be invariant (flat) within a
-MOC or random ray flat source region (FSR). This introduces bias into the
-simulation, which can be remedied by reducing the physical size of the FSR
-to dimensions below that of typical mean free paths of particles.
+While the scattering and fission sources in Monte Carlo are treated
+continuously, they are assumed to have a shape (flat or linear) within a MOC or
+random ray source region (SR). This introduces bias into the simulation that can
+be remedied by reducing the physical size of the SR to be smaller than the
+typical mean free paths of particles. While use of linear sources in OpenMC
+greatly reduces the error stemming from this approximation, subdivision is still
+typically required.
 
-In OpenMC, this subdivision currently must be done manually. The level of
+In OpenMC, this subdivision can be done either manually by the user (by defining
+additional surfaces and cells in the geometry) or automatically by assigning a
+mesh to one or more cells, universes, or material types. The level of
 subdivision needed will be dependent on the fidelity the user requires. For
-typical light water reactor analysis, consider the following example subdivision
-of a two-dimensional 2x2 reflective pincell lattice:
+typical light water reactor analysis, consider the following example of manual
+subdivision of a two-dimensional 2x2 reflective pincell lattice:
 
 .. figure:: ../_images/2x2_materials.jpeg
     :class: with-border
@@ -344,9 +348,79 @@ of a two-dimensional 2x2 reflective pincell lattice:
     :class: with-border
     :width: 400
 
-    FSR decomposition for an asymmetrical 2x2 lattice (1.26 cm pitch)
+    Manual decomposition for an asymmetrical 2x2 lattice (1.26 cm pitch)
 
-In the future, automated subdivision of FSRs via mesh overlay may be supported.
+Geometry cells can also be subdivided into small source regions by assigning a
+mesh to a list of domains, with each domain being of type
+:class:`openmc.Material`, :class:`openmc.Cell`, or :class:`openmc.Universe`. The
+idea of defining a source region as a combination of a base geometry cell and a
+mesh element is known as "cell-under-voxel" style geometry, although in OpenMC
+the mesh can be any kind and is not restricted to 3D regular voxels. An example
+of overlaying a simple 2D mesh over a geometry is given as::
+
+  sr_mesh = openmc.RegularMesh()
+  sr_mesh.dimension = (n, n)
+  sr_mesh.lower_left = (0.0, 0.0)
+  sr_mesh.upper_right = (x, y)
+  domain = geometry.root_universe
+  settings.random_ray['source_region_meshes'] = [(sr_mesh, [domain])]
+
+In the above example, we apply a single :math:`n \times n` uniform mesh over the
+entire domain by assigning it to the root universe of the geometry.
+Alternatively, we might want to apply a finer or coarser mesh to different
+regions of a 3D problem, for instance, as::
+
+  fuel = openmc.Material(name='UO2 fuel')
+  ...
+  water = openmc.Material(name='hot borated water')
+  ...
+  clad = openmc.Material(name='Zr cladding')
+  ...
+
+  coarse_mesh = openmc.RegularMesh()
+  coarse_mesh.dimension = (n, n, n)
+  coarse_mesh.lower_left = (0.0, 0.0, 0.0)
+  coarse_mesh.upper_right = (x, y, z)
+
+  fine_mesh = openmc.RegularMesh()
+  fine_mesh.dimension = (2*n, 2*n, 2*n)
+  fine_mesh.lower_left = (0.0, 0.0, 0.0)
+  fine_mesh.upper_right = (x, y, z)
+
+  settings.random_ray['source_region_meshes'] = [(fine_mesh, [fuel, clad]), (coarse_mesh, [water])]
+
+Note that we don't need to adjust the outer bounds of the mesh to tightly wrap
+the domain we assign the mesh to. Rather, OpenMC will dynamically generate
+source regions based on the mesh bins rays actually visit, such that no
+additional memory is wasted even if a domain only intersects a few mesh bins.
+Going back to our 2x2 lattice example, if using a mesh-based subdivision, this
+might look as below:
+
+.. figure:: ../_images/2x2_sr_mesh.png
+    :class: with-border
+    :width: 400
+
+    20x20 overlaid "cell-under-voxel" mesh decomposition for an asymmetrical 2x2 lattice (1.26 cm pitch)
+
+Note that mesh-bashed subdivision is much easier for a user to implement but
+does have a few downsides compared to manual subdivision. Manual subdivision can
+be done with the specifics of the geometry in mind. As in the pincell example,
+it is more efficient to subdivide the fuel region into azimuthal sectors and
+radial rings as opposed to a Cartesian mesh. This is more efficient because the
+regions are a more uniform size and follow the material boundaries closer,
+resulting in the need for fewer source regions. Fewer source regions tends to
+equate to a faster computational speed and/or the need for fewer rays per batch
+to achieve good statistics. Additionally, applying a mesh often tends to create
+a few very small source regions, as shown in the above picture where corners of
+the mesh happen to intersect close to the actual fuel-moderator interface. These
+small regions are rarely visited by rays, which can result in inaccurate
+estimates of the source within those small regions and, thereby, numerical
+instability. However, OpenMC utilizes several techniques to detect these small
+source regions and mitigate instabilities that are associated with them. In
+conclusion, mesh overlay is a great way to subdivide any geometry into smaller
+source regions. It can be used while retaining stability, though typically at
+the cost of generating more source regions relative to an optimal manual
+subdivision.
 
 .. _usersguide_flux_norm:
 
diff --git a/docs/source/usersguide/variance_reduction.rst b/docs/source/usersguide/variance_reduction.rst
index 124f34203..f8ee9c35c 100644
--- a/docs/source/usersguide/variance_reduction.rst
+++ b/docs/source/usersguide/variance_reduction.rst
@@ -130,9 +130,15 @@ random ray mode can be found in the :ref:`Random Ray User Guide <random_ray>`.
 
 .. warning::
     If using FW-CADIS weight window generation, ensure that the selected weight
-    window mesh does not subdivide any cells in the problem. In the future, this
-    restriction is intended to be relaxed, but for now subdivision of cells by a
-    mesh tally will result in undefined behavior.
+    window mesh does not subdivide any source regions in the problem. This can
+    be ensured by assigning the weight window tally mesh to the root universe so
+    as to create source region boundaries that conform to the mesh, as in the
+    example below.
+
+::
+    
+    root = model.geometry.root_universe    
+    settings.random_ray['source_region_meshes'] = [(ww_mesh, [root])]
 
 6. When running your multigroup random ray input deck, OpenMC will automatically
    run a forward solve followed by an adjoint solve, with a
diff --git a/include/openmc/constants.h b/include/openmc/constants.h
index cfcacbabf..2a7ce1990 100644
--- a/include/openmc/constants.h
+++ b/include/openmc/constants.h
@@ -59,6 +59,10 @@ constexpr double RADIAL_MESH_TOL {1e-10};
 // Maximum number of random samples per history
 constexpr int MAX_SAMPLE {100000};
 
+// Avg. number of hits per batch to be defined as a "small"
+// source region in the random ray solver
+constexpr double MIN_HITS_PER_BATCH {1.5};
+
 // ============================================================================
 // MATH AND PHYSICAL CONSTANTS
 
diff --git a/include/openmc/random_ray/flat_source_domain.h b/include/openmc/random_ray/flat_source_domain.h
index 011ff7ccd..39d87d663 100644
--- a/include/openmc/random_ray/flat_source_domain.h
+++ b/include/openmc/random_ray/flat_source_domain.h
@@ -4,8 +4,10 @@
 #include "openmc/constants.h"
 #include "openmc/openmp_interface.h"
 #include "openmc/position.h"
+#include "openmc/random_ray/parallel_map.h"
 #include "openmc/random_ray/source_region.h"
 #include "openmc/source.h"
+#include <unordered_map>
 #include <unordered_set>
 
 namespace openmc {
@@ -37,7 +39,6 @@ public:
   void random_ray_tally();
   virtual void accumulate_iteration_flux();
   void output_to_vtk() const;
-  void all_reduce_replicated_source_regions();
   void convert_external_sources();
   void count_external_source_regions();
   void set_adjoint_sources(const vector<double>& forward_flux);
@@ -47,12 +48,34 @@ public:
   void flatten_xs();
   void transpose_scattering_matrix();
   void serialize_final_fluxes(vector<double>& flux);
+  void apply_meshes();
+  void apply_mesh_to_cell_instances(int32_t i_cell, int32_t mesh_idx,
+    int target_material_id, const vector<int32_t>& instances,
+    bool is_target_void);
+  void apply_mesh_to_cell_and_children(int32_t i_cell, int32_t mesh_idx,
+    int32_t target_material_id, bool is_target_void);
+  void prepare_base_source_regions();
+  SourceRegionHandle get_subdivided_source_region_handle(
+    int64_t sr, int mesh_bin, Position r, double dist, Direction u);
+  void finalize_discovered_source_regions();
+  int64_t n_source_regions() const
+  {
+    return source_regions_.n_source_regions();
+  }
+  int64_t n_source_elements() const
+  {
+    return source_regions_.n_source_regions() * negroups_;
+  }
 
   //----------------------------------------------------------------------------
   // Static Data members
   static bool volume_normalized_flux_tallies_;
   static bool adjoint_; // If the user wants outputs based on the adjoint flux
 
+  // Static variables to store source region meshes and domains
+  static std::unordered_map<int, vector<std::pair<Source::DomainType, int>>>
+    mesh_domain_map_;
+
   //----------------------------------------------------------------------------
   // Static data members
   static RandomRayVolumeEstimator volume_estimator_;
@@ -61,7 +84,6 @@ public:
   // Public Data members
   bool mapped_all_tallies_ {false}; // If all source regions have been visited
 
-  int64_t n_source_regions_ {0}; // Total number of source regions in the model
   int64_t n_external_source_regions_ {0}; // Total number of source regions with
                                           // non-zero external source terms
 
@@ -84,6 +106,27 @@ public:
   // The abstract container holding all source region-specific data
   SourceRegionContainer source_regions_;
 
+  // Base source region container. When source region subdivision via mesh
+  // is in use, this container holds the original (non-subdivided) material
+  // filled cell instance source regions. These are useful as they can be
+  // initialized with external source and mesh domain information ahead of time.
+  // Then, dynamically discovered source regions can be initialized by cloning
+  // their base region.
+  SourceRegionContainer base_source_regions_;
+
+  // Parallel hash map holding all source regions discovered during
+  // a single iteration. This is a threadsafe data structure that is cleaned
+  // out after each iteration and stored in the "source_regions_" container.
+  // It is keyed with a SourceRegionKey, which combines the base source
+  // region index and the mesh bin.
+  ParallelMap<SourceRegionKey, SourceRegion, SourceRegionKey::HashFunctor>
+    discovered_source_regions_;
+
+  // Map that relates a SourceRegionKey to the index at which the source
+  // region can be found in the "source_regions_" container.
+  std::unordered_map<SourceRegionKey, int64_t, SourceRegionKey::HashFunctor>
+    source_region_map_;
+
 protected:
   //----------------------------------------------------------------------------
   // Methods
@@ -100,9 +143,7 @@ protected:
 
   //----------------------------------------------------------------------------
   // Private data members
-  int negroups_;                  // Number of energy groups in simulation
-  int64_t n_source_elements_ {0}; // Total number of source regions in the model
-                                  // times the number of energy groups
+  int negroups_; // Number of energy groups in simulation
 
   double
     simulation_volume_; // Total physical volume of the simulation domain, as
diff --git a/include/openmc/random_ray/parallel_map.h b/include/openmc/random_ray/parallel_map.h
new file mode 100644
index 000000000..7f4f06d99
--- /dev/null
+++ b/include/openmc/random_ray/parallel_map.h
@@ -0,0 +1,193 @@
+#ifndef OPENMC_RANDOM_RAY_PARALLEL_HASH_MAP_H
+#define OPENMC_RANDOM_RAY_PARALLEL_HASH_MAP_H
+
+#include "openmc/openmp_interface.h"
+
+#include <memory>
+#include <unordered_map>
+
+namespace openmc {
+
+/*
+ * The ParallelMap class allows for threadsafe access to a map-like data
+ * structure. It is implemented as a hash table with a fixed number of buckets,
+ * each of which contains a mutex lock and an unordered_map. The class provides
+ * a subset of the functionality of std::unordered_map. Users must first lock
+ * the object (using the key) before accessing or modifying the map. The object
+ * is locked by bucket, allowing for multiple threads to manipulate different
+ * keys simultaneously, though sometimes threads will need to wait if keys
+ * happen to be in the same bucket. The ParallelMap will generate pointers to
+ * hold values, rather than direct storage of values, so as to allow for
+ * pointers to values to remain valid even after the lock has been released
+ * (though locking of those values is then left to the user). Iterators to the
+ * class are provided but are not threadsafe, and are meant to be used only in a
+ * serial context (e.g., to dump the contents of the map to another data
+ * structure).
+ */
+
+template<typename KeyType, typename ValueType, typename HashFunctor>
+class ParallelMap {
+
+  //----------------------------------------------------------------------------
+  // Helper structs and classes
+
+  struct Bucket {
+    OpenMPMutex lock_;
+    std::unordered_map<KeyType, std::unique_ptr<ValueType>, HashFunctor> map_;
+  };
+
+  // The iterator yields a pair: (const KeyType&, ValueType&)
+  class iterator {
+  public:
+    using iterator_category = std::forward_iterator_tag;
+    using value_type = std::pair<const KeyType&, ValueType&>;
+    using difference_type = std::ptrdiff_t;
+    using pointer = void; // Not providing pointer semantics.
+    using reference = value_type;
+
+    iterator(std::vector<Bucket>* buckets, std::size_t bucket_index,
+      typename std::unordered_map<KeyType, std::unique_ptr<ValueType>,
+        HashFunctor>::iterator inner_it)
+      : buckets_(buckets), bucket_index_(bucket_index), inner_it_(inner_it)
+    {
+      // Advance to the first valid element if necessary.
+      advance_to_valid();
+    }
+
+    // Dereference returns a pair of (key, value).
+    reference operator*() const
+    {
+      return {inner_it_->first, *inner_it_->second};
+    }
+
+    iterator& operator++()
+    {
+      ++inner_it_;
+      advance_to_valid();
+      return *this;
+    }
+
+    iterator operator++(int)
+    {
+      iterator tmp = *this;
+      ++(*this);
+      return tmp;
+    }
+
+    bool operator==(const iterator& other) const
+    {
+      // Two iterators are equal if they refer to the same bucket vector and are
+      // both at end, or if they have the same bucket index and inner iterator.
+      return buckets_ == other.buckets_ &&
+             bucket_index_ == other.bucket_index_ &&
+             (bucket_index_ == buckets_->size() ||
+               inner_it_ == other.inner_it_);
+    }
+
+    bool operator!=(const iterator& other) const { return !(*this == other); }
+
+  private:
+    // Helper function: if we are at the end of the current bucket, advance to
+    // the next non-empty bucket.
+    void advance_to_valid()
+    {
+      while (bucket_index_ < buckets_->size() &&
+             inner_it_ == (*buckets_)[bucket_index_].map_.end()) {
+        ++bucket_index_;
+        if (bucket_index_ < buckets_->size())
+          inner_it_ = (*buckets_)[bucket_index_].map_.begin();
+      }
+    }
+
+    std::vector<Bucket>* buckets_;
+    std::size_t bucket_index_;
+    typename std::unordered_map<KeyType, std::unique_ptr<ValueType>,
+      HashFunctor>::iterator inner_it_;
+  };
+
+public:
+  //----------------------------------------------------------------------------
+  // Constructor
+  ParallelMap(int n_buckets = 1000) : buckets_(n_buckets) {}
+
+  //----------------------------------------------------------------------------
+  // Public Methods
+  void lock(const KeyType& key)
+  {
+    Bucket& bucket = get_bucket(key);
+    bucket.lock_.lock();
+  }
+
+  void unlock(const KeyType& key)
+  {
+    Bucket& bucket = get_bucket(key);
+    bucket.lock_.unlock();
+  }
+
+  void clear()
+  {
+    for (auto& bucket : buckets_) {
+      bucket.map_.clear();
+    }
+  }
+
+  bool contains(const KeyType& key)
+  {
+    Bucket& bucket = get_bucket(key);
+    // C++20
+    // return bucket.map_.contains(key);
+    return bucket.map_.find(key) != bucket.map_.end();
+  }
+
+  ValueType& operator[](const KeyType& key)
+  {
+    Bucket& bucket = get_bucket(key);
+    return *bucket.map_[key].get();
+  }
+
+  ValueType* emplace(KeyType key, const ValueType& value)
+  {
+    Bucket& bucket = get_bucket(key);
+    // Attempt to emplace the new element into the unordered_map within the
+    auto result = bucket.map_.emplace(key, std::make_unique<ValueType>(value));
+    auto it = result.first;
+    return it->second.get();
+  }
+
+  // Return iterator to first element.
+  iterator begin()
+  {
+    std::size_t bucket_index = 0;
+    auto inner_it = buckets_.empty()
+                      ? typename std::unordered_map<KeyType,
+                          std::unique_ptr<ValueType>, HashFunctor>::iterator()
+                      : buckets_[0].map_.begin();
+    return iterator(&buckets_, bucket_index, inner_it);
+  }
+
+  // Return iterator to one-past-last element.
+  iterator end()
+  {
+    // End is signaled by bucket_index_ equal to buckets_.size()
+    return iterator(&buckets_, buckets_.size(),
+      typename std::unordered_map<KeyType, std::unique_ptr<ValueType>,
+        HashFunctor>::iterator());
+  }
+
+private:
+  //----------------------------------------------------------------------------
+  // Private Methods
+  Bucket& get_bucket(const KeyType& key)
+  {
+    return buckets_[hash(key) % buckets_.size()];
+  }
+
+  //----------------------------------------------------------------------------
+  // Private Data Fields
+  HashFunctor hash;
+  vector<Bucket> buckets_;
+};
+
+} // namespace openmc
+
+#endif // OPENMC_RANDOM_RAY_PARALLEL_HASH_MAP_H
diff --git a/include/openmc/random_ray/random_ray.h b/include/openmc/random_ray/random_ray.h
index df1ad70bc..abf2a2688 100644
--- a/include/openmc/random_ray/random_ray.h
+++ b/include/openmc/random_ray/random_ray.h
@@ -25,11 +25,17 @@ public:
   //----------------------------------------------------------------------------
   // Methods
   void event_advance_ray();
-  void attenuate_flux(double distance, bool is_active);
-  void attenuate_flux_flat_source(double distance, bool is_active);
-  void attenuate_flux_flat_source_void(double distance, bool is_active);
-  void attenuate_flux_linear_source(double distance, bool is_active);
-  void attenuate_flux_linear_source_void(double distance, bool is_active);
+  void attenuate_flux(double distance, bool is_active, double offset = 0.0);
+  void attenuate_flux_inner(
+    double distance, bool is_active, int64_t sr, int mesh_bin, Position r);
+  void attenuate_flux_flat_source(
+    SourceRegionHandle& srh, double distance, bool is_active, Position r);
+  void attenuate_flux_flat_source_void(
+    SourceRegionHandle& srh, double distance, bool is_active, Position r);
+  void attenuate_flux_linear_source(
+    SourceRegionHandle& srh, double distance, bool is_active, Position r);
+  void attenuate_flux_linear_source_void(
+    SourceRegionHandle& srh, double distance, bool is_active, Position r);
 
   void initialize_ray(uint64_t ray_id, FlatSourceDomain* domain);
   uint64_t transport_history_based_single_ray();
@@ -42,6 +48,7 @@ public:
   static double distance_active_;            // Active ray length
   static unique_ptr<Source> ray_source_;     // Starting source for ray sampling
   static RandomRaySourceShape source_shape_; // Flag for linear source
+  static bool mesh_subdivision_enabled_;     // Flag for mesh subdivision
   static RandomRaySampleMethod sample_method_; // Flag for sampling method
 
   //----------------------------------------------------------------------------
@@ -55,6 +62,8 @@ private:
   // Private data members
   vector<float> delta_psi_;
   vector<MomentArray> delta_moments_;
+  vector<int> mesh_bins_;
+  vector<double> mesh_fractional_lengths_;
 
   int negroups_;
   FlatSourceDomain* domain_ {nullptr}; // pointer to domain that has flat source
diff --git a/include/openmc/random_ray/random_ray_simulation.h b/include/openmc/random_ray/random_ray_simulation.h
index 01f12bffb..b94e7401b 100644
--- a/include/openmc/random_ray/random_ray_simulation.h
+++ b/include/openmc/random_ray/random_ray_simulation.h
@@ -20,10 +20,13 @@ public:
   //----------------------------------------------------------------------------
   // Methods
   void compute_segment_correction_factors();
-  void prepare_fixed_sources();
-  void prepare_fixed_sources_adjoint(vector<double>& forward_flux);
+  void apply_fixed_sources_and_mesh_domains();
+  void prepare_fixed_sources_adjoint(vector<double>& forward_flux,
+    SourceRegionContainer& forward_source_regions,
+    SourceRegionContainer& forward_base_source_regions,
+    std::unordered_map<SourceRegionKey, int64_t, SourceRegionKey::HashFunctor>&
+      forward_source_region_map);
   void simulate();
-  void reduce_simulation_statistics();
   void output_simulation_results() const;
   void instability_check(
     int64_t n_hits, double k_eff, double& avg_miss_rate) const;
@@ -63,6 +66,7 @@ private:
 
 void openmc_run_random_ray();
 void validate_random_ray_inputs();
+void openmc_reset_random_ray();
 
 } // namespace openmc
 
diff --git a/include/openmc/random_ray/source_region.h b/include/openmc/random_ray/source_region.h
index e41d6b824..5c5b31f39 100644
--- a/include/openmc/random_ray/source_region.h
+++ b/include/openmc/random_ray/source_region.h
@@ -44,7 +44,7 @@ inline void hash_combine(size_t& seed, const size_t v)
 }
 
 //----------------------------------------------------------------------------
-// Helper Structs
+// Helper Structs and Classes
 
 // A mapping object that is used to map between a specific random ray
 // source region and an OpenMC native tally bin that it should score to
@@ -81,11 +81,234 @@ struct TallyTask {
   };
 };
 
+// The SourceRegionKey combines a base source region (i.e., a material
+// filled cell instance) with a mesh bin. This key is used as a handle
+// for dynamically discovered source regions when subdividing source
+// regions with meshes.
+class SourceRegionKey {
+public:
+  int64_t base_source_region_id;
+  int64_t mesh_bin;
+  SourceRegionKey() = default;
+  SourceRegionKey(int64_t source_region, int64_t bin)
+    : base_source_region_id(source_region), mesh_bin(bin)
+  {}
+
+  // Equality operator required by the unordered_map
+  bool operator==(const SourceRegionKey& other) const
+  {
+    return base_source_region_id == other.base_source_region_id &&
+           mesh_bin == other.mesh_bin;
+  }
+
+  // Less than operator required by std::sort
+  bool operator<(const SourceRegionKey& other) const
+  {
+    if (base_source_region_id < other.base_source_region_id) {
+      return true;
+    } else if (base_source_region_id > other.base_source_region_id) {
+      return false;
+    } else {
+      return mesh_bin < other.mesh_bin;
+    }
+  }
+
+  // Hashing functor required by the unordered_map
+  struct HashFunctor {
+    size_t operator()(const SourceRegionKey& key) const
+    {
+      size_t seed = 0;
+      hash_combine(seed, key.base_source_region_id);
+      hash_combine(seed, key.mesh_bin);
+      return seed;
+    }
+  };
+};
+
+// Forward declaration of SourceRegion
+class SourceRegion;
+
+class SourceRegionHandle {
+public:
+  //----------------------------------------------------------------------------
+  // Constructors
+  SourceRegionHandle(SourceRegion& sr);
+  SourceRegionHandle() = default;
+
+  // All fields are commented/described in the SourceRegion class definition
+  // below
+
+  //----------------------------------------------------------------------------
+  // Public Data members
+  int negroups_;
+  bool is_numerical_fp_artifact_ {false};
+  bool is_linear_ {false};
+
+  // Scalar fields
+  int* material_;
+  int* is_small_;
+  int* n_hits_;
+  int* birthday_;
+  OpenMPMutex* lock_;
+  double* volume_;
+  double* volume_t_;
+  double* volume_sq_;
+  double* volume_sq_t_;
+  double* volume_naive_;
+  int* position_recorded_;
+  int* external_source_present_;
+  Position* position_;
+  Position* centroid_;
+  Position* centroid_iteration_;
+  Position* centroid_t_;
+  MomentMatrix* mom_matrix_;
+  MomentMatrix* mom_matrix_t_;
+  // A set of volume tally tasks. This more complicated data structure is
+  // convenient for ensuring that volumes are only tallied once per source
+  // region, regardless of how many energy groups are used for tallying.
+  std::unordered_set<TallyTask, TallyTask::HashFunctor>* volume_task_;
+
+  // Mesh that subdivides this source region
+  int* mesh_;
+  int64_t* parent_sr_;
+
+  // Energy group-wise 1D arrays
+  double* scalar_flux_old_;
+  double* scalar_flux_new_;
+  float* source_;
+  float* external_source_;
+  double* scalar_flux_final_;
+
+  MomentArray* source_gradients_;
+  MomentArray* flux_moments_old_;
+  MomentArray* flux_moments_new_;
+  MomentArray* flux_moments_t_;
+
+  // 2D array representing values for all energy groups x tally
+  // tasks. Each group may have a different number of tally tasks
+  // associated with it, necessitating the use of a jagged array.
+  vector<TallyTask>* tally_task_;
+
+  //----------------------------------------------------------------------------
+  // Public Accessors
+
+  int& material() { return *material_; }
+  const int material() const { return *material_; }
+
+  int& is_small() { return *is_small_; }
+  const int is_small() const { return *is_small_; }
+
+  int& n_hits() { return *n_hits_; }
+  const int n_hits() const { return *n_hits_; }
+
+  void lock() { lock_->lock(); }
+  void unlock() { lock_->unlock(); }
+
+  double& volume() { return *volume_; }
+  const double volume() const { return *volume_; }
+
+  double& volume_t() { return *volume_t_; }
+  const double volume_t() const { return *volume_t_; }
+
+  double& volume_sq() { return *volume_sq_; }
+  const double volume_sq() const { return *volume_sq_; }
+
+  double& volume_sq_t() { return *volume_sq_t_; }
+  const double volume_sq_t() const { return *volume_sq_t_; }
+
+  double& volume_naive() { return *volume_naive_; }
+  const double volume_naive() const { return *volume_naive_; }
+
+  int& position_recorded() { return *position_recorded_; }
+  const int position_recorded() const { return *position_recorded_; }
+
+  int& external_source_present() { return *external_source_present_; }
+  const int external_source_present() const
+  {
+    return *external_source_present_;
+  }
+
+  Position& position() { return *position_; }
+  const Position position() const { return *position_; }
+
+  Position& centroid() { return *centroid_; }
+  const Position centroid() const { return *centroid_; }
+
+  Position& centroid_iteration() { return *centroid_iteration_; }
+  const Position centroid_iteration() const { return *centroid_iteration_; }
+
+  Position& centroid_t() { return *centroid_t_; }
+  const Position centroid_t() const { return *centroid_t_; }
+
+  MomentMatrix& mom_matrix() { return *mom_matrix_; }
+  const MomentMatrix mom_matrix() const { return *mom_matrix_; }
+
+  MomentMatrix& mom_matrix_t() { return *mom_matrix_t_; }
+  const MomentMatrix mom_matrix_t() const { return *mom_matrix_t_; }
+
+  std::unordered_set<TallyTask, TallyTask::HashFunctor>& volume_task()
+  {
+    return *volume_task_;
+  }
+  const std::unordered_set<TallyTask, TallyTask::HashFunctor>& volume_task()
+    const
+  {
+    return *volume_task_;
+  }
+
+  int& mesh() { return *mesh_; }
+  const int mesh() const { return *mesh_; }
+
+  int64_t& parent_sr() { return *parent_sr_; }
+  const int64_t parent_sr() const { return *parent_sr_; }
+
+  double& scalar_flux_old(int g) { return scalar_flux_old_[g]; }
+  const double scalar_flux_old(int g) const { return scalar_flux_old_[g]; }
+
+  double& scalar_flux_new(int g) { return scalar_flux_new_[g]; }
+  const double scalar_flux_new(int g) const { return scalar_flux_new_[g]; }
+
+  double& scalar_flux_final(int g) { return scalar_flux_final_[g]; }
+  const double scalar_flux_final(int g) const { return scalar_flux_final_[g]; }
+
+  float& source(int g) { return source_[g]; }
+  const float source(int g) const { return source_[g]; }
+
+  float& external_source(int g) { return external_source_[g]; }
+  const float external_source(int g) const { return external_source_[g]; }
+
+  MomentArray& source_gradients(int g) { return source_gradients_[g]; }
+  const MomentArray source_gradients(int g) const
+  {
+    return source_gradients_[g];
+  }
+
+  MomentArray& flux_moments_old(int g) { return flux_moments_old_[g]; }
+  const MomentArray flux_moments_old(int g) const
+  {
+    return flux_moments_old_[g];
+  }
+
+  MomentArray& flux_moments_new(int g) { return flux_moments_new_[g]; }
+  const MomentArray flux_moments_new(int g) const
+  {
+    return flux_moments_new_[g];
+  }
+
+  MomentArray& flux_moments_t(int g) { return flux_moments_t_[g]; }
+  const MomentArray flux_moments_t(int g) const { return flux_moments_t_[g]; }
+
+  vector<TallyTask>& tally_task(int g) { return tally_task_[g]; }
+  const vector<TallyTask>& tally_task(int g) const { return tally_task_[g]; }
+
+}; // class SourceRegionHandle
+
 class SourceRegion {
 public:
   //----------------------------------------------------------------------------
   // Constructors
   SourceRegion(int negroups, bool is_linear);
+  SourceRegion(const SourceRegionHandle& handle, int64_t parent_sr);
   SourceRegion() = default;
 
   //----------------------------------------------------------------------------
@@ -104,7 +327,13 @@ public:
   double volume_naive_ {0.0}; //!< Volume as integrated from this iteration only
   int position_recorded_ {0}; //!< Has the position been recorded yet?
   int external_source_present_ {
-    0}; //!< Is an external source present in this region?
+    0};               //!< Is an external source present in this region?
+  int is_small_ {0};  //!< Is it "small", receiving < 1.5 hits per iteration?
+  int n_hits_ {0};    //!< Number of total hits (ray crossings)
+                      // Mesh that subdivides this source region
+  int mesh_ {C_NONE}; //!< Index in openmc::model::meshes array that subdivides
+                      //!< this source region
+  int64_t parent_sr_ {C_NONE}; //!< Index of a parent source region
   Position position_ {
     0.0, 0.0, 0.0}; //!< A position somewhere inside the region
   Position centroid_ {0.0, 0.0, 0.0}; //!< The centroid
@@ -150,7 +379,6 @@ public:
   // tasks. Each group may have a different number of tally tasks
   // associated with it, necessitating the use of a jagged array.
   vector<vector<TallyTask>> tally_task_;
-
 }; // class SourceRegion
 
 class SourceRegionContainer {
@@ -165,28 +393,34 @@ public:
   //----------------------------------------------------------------------------
   // Public Accessors
   int& material(int64_t sr) { return material_[sr]; }
-  const int& material(int64_t sr) const { return material_[sr]; }
+  const int material(int64_t sr) const { return material_[sr]; }
+
+  int& is_small(int64_t sr) { return is_small_[sr]; }
+  const int is_small(int64_t sr) const { return is_small_[sr]; }
+
+  int& n_hits(int64_t sr) { return n_hits_[sr]; }
+  const int n_hits(int64_t sr) const { return n_hits_[sr]; }
 
   OpenMPMutex& lock(int64_t sr) { return lock_[sr]; }
   const OpenMPMutex& lock(int64_t sr) const { return lock_[sr]; }
 
   double& volume(int64_t sr) { return volume_[sr]; }
-  const double& volume(int64_t sr) const { return volume_[sr]; }
+  const double volume(int64_t sr) const { return volume_[sr]; }
 
   double& volume_t(int64_t sr) { return volume_t_[sr]; }
-  const double& volume_t(int64_t sr) const { return volume_t_[sr]; }
+  const double volume_t(int64_t sr) const { return volume_t_[sr]; }
 
   double& volume_sq(int64_t sr) { return volume_sq_[sr]; }
-  const double& volume_sq(int64_t sr) const { return volume_sq_[sr]; }
+  const double volume_sq(int64_t sr) const { return volume_sq_[sr]; }
 
   double& volume_sq_t(int64_t sr) { return volume_sq_t_[sr]; }
-  const double& volume_sq_t(int64_t sr) const { return volume_sq_t_[sr]; }
+  const double volume_sq_t(int64_t sr) const { return volume_sq_t_[sr]; }
 
   double& volume_naive(int64_t sr) { return volume_naive_[sr]; }
-  const double& volume_naive(int64_t sr) const { return volume_naive_[sr]; }
+  const double volume_naive(int64_t sr) const { return volume_naive_[sr]; }
 
   int& position_recorded(int64_t sr) { return position_recorded_[sr]; }
-  const int& position_recorded(int64_t sr) const
+  const int position_recorded(int64_t sr) const
   {
     return position_recorded_[sr];
   }
@@ -195,31 +429,31 @@ public:
   {
     return external_source_present_[sr];
   }
-  const int& external_source_present(int64_t sr) const
+  const int external_source_present(int64_t sr) const
   {
     return external_source_present_[sr];
   }
 
   Position& position(int64_t sr) { return position_[sr]; }
-  const Position& position(int64_t sr) const { return position_[sr]; }
+  const Position position(int64_t sr) const { return position_[sr]; }
 
   Position& centroid(int64_t sr) { return centroid_[sr]; }
-  const Position& centroid(int64_t sr) const { return centroid_[sr]; }
+  const Position centroid(int64_t sr) const { return centroid_[sr]; }
 
   Position& centroid_iteration(int64_t sr) { return centroid_iteration_[sr]; }
-  const Position& centroid_iteration(int64_t sr) const
+  const Position centroid_iteration(int64_t sr) const
   {
     return centroid_iteration_[sr];
   }
 
   Position& centroid_t(int64_t sr) { return centroid_t_[sr]; }
-  const Position& centroid_t(int64_t sr) const { return centroid_t_[sr]; }
+  const Position centroid_t(int64_t sr) const { return centroid_t_[sr]; }
 
   MomentMatrix& mom_matrix(int64_t sr) { return mom_matrix_[sr]; }
-  const MomentMatrix& mom_matrix(int64_t sr) const { return mom_matrix_[sr]; }
+  const MomentMatrix mom_matrix(int64_t sr) const { return mom_matrix_[sr]; }
 
   MomentMatrix& mom_matrix_t(int64_t sr) { return mom_matrix_t_[sr]; }
-  const MomentMatrix& mom_matrix_t(int64_t sr) const
+  const MomentMatrix mom_matrix_t(int64_t sr) const
   {
     return mom_matrix_t_[sr];
   }
@@ -228,12 +462,12 @@ public:
   {
     return source_gradients_[index(sr, g)];
   }
-  const MomentArray& source_gradients(int64_t sr, int g) const
+  const MomentArray source_gradients(int64_t sr, int g) const
   {
     return source_gradients_[index(sr, g)];
   }
   MomentArray& source_gradients(int64_t se) { return source_gradients_[se]; }
-  const MomentArray& source_gradients(int64_t se) const
+  const MomentArray source_gradients(int64_t se) const
   {
     return source_gradients_[se];
   }
@@ -242,12 +476,12 @@ public:
   {
     return flux_moments_old_[index(sr, g)];
   }
-  const MomentArray& flux_moments_old(int64_t sr, int g) const
+  const MomentArray flux_moments_old(int64_t sr, int g) const
   {
     return flux_moments_old_[index(sr, g)];
   }
   MomentArray& flux_moments_old(int64_t se) { return flux_moments_old_[se]; }
-  const MomentArray& flux_moments_old(int64_t se) const
+  const MomentArray flux_moments_old(int64_t se) const
   {
     return flux_moments_old_[se];
   }
@@ -256,12 +490,12 @@ public:
   {
     return flux_moments_new_[index(sr, g)];
   }
-  const MomentArray& flux_moments_new(int64_t sr, int g) const
+  const MomentArray flux_moments_new(int64_t sr, int g) const
   {
     return flux_moments_new_[index(sr, g)];
   }
   MomentArray& flux_moments_new(int64_t se) { return flux_moments_new_[se]; }
-  const MomentArray& flux_moments_new(int64_t se) const
+  const MomentArray flux_moments_new(int64_t se) const
   {
     return flux_moments_new_[se];
   }
@@ -270,12 +504,12 @@ public:
   {
     return flux_moments_t_[index(sr, g)];
   }
-  const MomentArray& flux_moments_t(int64_t sr, int g) const
+  const MomentArray flux_moments_t(int64_t sr, int g) const
   {
     return flux_moments_t_[index(sr, g)];
   }
   MomentArray& flux_moments_t(int64_t se) { return flux_moments_t_[se]; }
-  const MomentArray& flux_moments_t(int64_t se) const
+  const MomentArray flux_moments_t(int64_t se) const
   {
     return flux_moments_t_[se];
   }
@@ -284,12 +518,12 @@ public:
   {
     return scalar_flux_old_[index(sr, g)];
   }
-  const double& scalar_flux_old(int64_t sr, int g) const
+  const double scalar_flux_old(int64_t sr, int g) const
   {
     return scalar_flux_old_[index(sr, g)];
   }
   double& scalar_flux_old(int64_t se) { return scalar_flux_old_[se]; }
-  const double& scalar_flux_old(int64_t se) const
+  const double scalar_flux_old(int64_t se) const
   {
     return scalar_flux_old_[se];
   }
@@ -298,12 +532,12 @@ public:
   {
     return scalar_flux_new_[index(sr, g)];
   }
-  const double& scalar_flux_new(int64_t sr, int g) const
+  const double scalar_flux_new(int64_t sr, int g) const
   {
     return scalar_flux_new_[index(sr, g)];
   }
   double& scalar_flux_new(int64_t se) { return scalar_flux_new_[se]; }
-  const double& scalar_flux_new(int64_t se) const
+  const double scalar_flux_new(int64_t se) const
   {
     return scalar_flux_new_[se];
   }
@@ -312,34 +546,31 @@ public:
   {
     return scalar_flux_final_[index(sr, g)];
   }
-  const double& scalar_flux_final(int64_t sr, int g) const
+  const double scalar_flux_final(int64_t sr, int g) const
   {
     return scalar_flux_final_[index(sr, g)];
   }
   double& scalar_flux_final(int64_t se) { return scalar_flux_final_[se]; }
-  const double& scalar_flux_final(int64_t se) const
+  const double scalar_flux_final(int64_t se) const
   {
     return scalar_flux_final_[se];
   }
 
   float& source(int64_t sr, int g) { return source_[index(sr, g)]; }
-  const float& source(int64_t sr, int g) const { return source_[index(sr, g)]; }
+  const float source(int64_t sr, int g) const { return source_[index(sr, g)]; }
   float& source(int64_t se) { return source_[se]; }
-  const float& source(int64_t se) const { return source_[se]; }
+  const float source(int64_t se) const { return source_[se]; }
 
   float& external_source(int64_t sr, int g)
   {
     return external_source_[index(sr, g)];
   }
-  const float& external_source(int64_t sr, int g) const
+  const float external_source(int64_t sr, int g) const
   {
     return external_source_[index(sr, g)];
   }
   float& external_source(int64_t se) { return external_source_[se]; }
-  const float& external_source(int64_t se) const
-  {
-    return external_source_[se];
-  }
+  const float external_source(int64_t se) const { return external_source_[se]; }
 
   vector<TallyTask>& tally_task(int64_t sr, int g)
   {
@@ -365,13 +596,26 @@ public:
     return volume_task_[sr];
   }
 
+  int& mesh(int64_t sr) { return mesh_[sr]; }
+  const int mesh(int64_t sr) const { return mesh_[sr]; }
+
+  int64_t& parent_sr(int64_t sr) { return parent_sr_[sr]; }
+  const int64_t parent_sr(int64_t sr) const { return parent_sr_[sr]; }
+
   //----------------------------------------------------------------------------
   // Public Methods
 
   void push_back(const SourceRegion& sr);
   void assign(int n_source_regions, const SourceRegion& source_region);
   void flux_swap();
-  void mpi_sync_ranks(bool reduce_position);
+  int64_t n_source_regions() const { return n_source_regions_; }
+  int64_t n_source_elements() const { return n_source_regions_ * negroups_; }
+  int& negroups() { return negroups_; }
+  const int negroups() const { return negroups_; }
+  bool& is_linear() { return is_linear_; }
+  const bool is_linear() const { return is_linear_; }
+  SourceRegionHandle get_source_region_handle(int64_t sr);
+  void adjoint_reset();
 
 private:
   //----------------------------------------------------------------------------
@@ -382,6 +626,10 @@ private:
 
   // SoA storage for scalar fields (one item per source region)
   vector<int> material_;
+  vector<int> is_small_;
+  vector<int> n_hits_;
+  vector<int> mesh_;
+  vector<int64_t> parent_sr_;
   vector<OpenMPMutex> lock_;
   vector<double> volume_;
   vector<double> volume_t_;
diff --git a/openmc/settings.py b/openmc/settings.py
index 2f054ebd1..ead2c0d00 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -7,11 +7,12 @@ from pathlib import Path
 
 import lxml.etree as ET
 
+import openmc
 import openmc.checkvalue as cv
 from openmc.checkvalue import PathLike
 from openmc.stats.multivariate import MeshSpatial
 from ._xml import clean_indentation, get_text, reorder_attributes
-from .mesh import _read_meshes, RegularMesh
+from .mesh import _read_meshes, RegularMesh, MeshBase
 from .source import SourceBase, MeshSource, IndependentSource
 from .utility_funcs import input_path
 from .volume import VolumeCalculation
@@ -180,6 +181,12 @@ class Settings:
         :sample_method:
             Sampling method for the ray starting location and direction of
             travel. Options are `prng` (default) or 'halton`.
+        :source_region_meshes:
+            List of tuples where each tuple contains a mesh and a list of
+            domains. Each domain is an instance of openmc.Material, openmc.Cell,
+            or openmc.Universe. The mesh will be applied to the listed domains
+            to subdivide source regions so as to improve accuracy and/or conform
+            with tally meshes.
 
         .. versionadded:: 0.15.0
     resonance_scattering : dict
@@ -1156,6 +1163,18 @@ class Settings:
                 cv.check_type('volume normalized flux tallies', value, bool)
             elif key == 'adjoint':
                 cv.check_type('adjoint', value, bool)
+            elif key == 'source_region_meshes':
+                cv.check_type('source region meshes', value, Iterable)
+                for mesh, domains in value:
+                    cv.check_type('mesh', mesh, MeshBase)
+                    cv.check_type('domains', domains, Iterable)
+                    valid_types = (openmc.Material, openmc.Cell, openmc.Universe)
+                    for domain in domains:
+                        if not isinstance(domain, valid_types):
+                            raise ValueError(
+                                f'Invalid domain type: {type(domain)}. Expected '
+                                'openmc.Material, openmc.Cell, or openmc.Universe.')
+                cv.check_type('adjoint', value, bool)
             elif key == 'sample_method':
                 cv.check_value('sample method', value,
                                ('prng', 'halton'))
@@ -1573,7 +1592,7 @@ class Settings:
 
             root.append(wwg.mesh.to_xml_element())
             if mesh_memo is not None:
-                mesh_memo.add(wwg.mesh)
+                mesh_memo.add(wwg.mesh.id)
 
     def _create_weight_windows_file_element(self, root):
         if self.weight_windows_file is not None:
@@ -1604,13 +1623,25 @@ class Settings:
             elem = ET.SubElement(root, "max_tracks")
             elem.text = str(self._max_tracks)
 
-    def _create_random_ray_subelement(self, root):
+    def _create_random_ray_subelement(self, root, mesh_memo=None):
         if self._random_ray:
             element = ET.SubElement(root, "random_ray")
             for key, value in self._random_ray.items():
                 if key == 'ray_source' and isinstance(value, SourceBase):
                     source_element = value.to_xml_element()
                     element.append(source_element)
+                elif key == 'source_region_meshes':
+                    subelement = ET.SubElement(element, 'source_region_meshes')
+                    for mesh, domains in value:
+                        mesh_elem = ET.SubElement(subelement, 'mesh')
+                        mesh_elem.set('id', str(mesh.id))
+                        for domain in domains:
+                            domain_elem = ET.SubElement(mesh_elem, 'domain')
+                            domain_elem.set('id', str(domain.id))
+                            domain_elem.set('type', domain.__class__.__name__.lower())
+                        if mesh_memo is not None and mesh.id not in mesh_memo:
+                            root.append(mesh.to_xml_element())
+                            mesh_memo.add(mesh.id)
                 else:
                     subelement = ET.SubElement(element, key)
                     subelement.text = str(value)
@@ -2007,6 +2038,22 @@ class Settings:
                     )
                 elif child.tag == 'sample_method':
                     self.random_ray['sample_method'] = child.text
+                elif child.tag == 'source_region_meshes':
+                    self.random_ray['source_region_meshes'] = []
+                    for mesh_elem in child.findall('mesh'):
+                        mesh = MeshBase.from_xml_element(mesh_elem)
+                        domains = []
+                        for domain_elem in mesh_elem.findall('domain'):
+                            domain_id = int(domain_elem.get('id'))
+                            domain_type = domain_elem.get('type')
+                            if domain_type == 'material':
+                                domain = openmc.Material(domain_id)
+                            elif domain_type == 'cell':
+                                domain = openmc.Cell(domain_id)
+                            elif domain_type == 'universe':
+                                domain = openmc.Universe(domain_id)
+                            domains.append(domain)
+                        self.random_ray['source_region_meshes'].append((mesh, domains))
 
     def _use_decay_photons_from_xml_element(self, root):
         text = get_text(root, 'use_decay_photons')
@@ -2077,7 +2124,7 @@ class Settings:
         self._create_weight_window_checkpoints_subelement(element)
         self._create_max_history_splits_subelement(element)
         self._create_max_tracks_subelement(element)
-        self._create_random_ray_subelement(element)
+        self._create_random_ray_subelement(element, mesh_memo)
         self._create_use_decay_photons_subelement(element)
 
         # Clean the indentation in the file to be user-readable
diff --git a/src/finalize.cpp b/src/finalize.cpp
index ad6f0cf62..ed3d0e7f4 100644
--- a/src/finalize.cpp
+++ b/src/finalize.cpp
@@ -17,6 +17,7 @@
 #include "openmc/photon.h"
 #include "openmc/plot.h"
 #include "openmc/random_lcg.h"
+#include "openmc/random_ray/random_ray_simulation.h"
 #include "openmc/settings.h"
 #include "openmc/simulation.h"
 #include "openmc/source.h"
@@ -174,6 +175,8 @@ int openmc_finalize()
     MPI_Type_free(&mpi::source_site);
 #endif
 
+  openmc_reset_random_ray();
+
   return 0;
 }
 
diff --git a/src/random_ray/flat_source_domain.cpp b/src/random_ray/flat_source_domain.cpp
index ae0ecb824..33651574f 100644
--- a/src/random_ray/flat_source_domain.cpp
+++ b/src/random_ray/flat_source_domain.cpp
@@ -1,6 +1,7 @@
 #include "openmc/random_ray/flat_source_domain.h"
 
 #include "openmc/cell.h"
+#include "openmc/constants.h"
 #include "openmc/eigenvalue.h"
 #include "openmc/geometry.h"
 #include "openmc/material.h"
@@ -14,6 +15,7 @@
 #include "openmc/tallies/tally.h"
 #include "openmc/tallies/tally_scoring.h"
 #include "openmc/timer.h"
+#include "openmc/weight_windows.h"
 
 #include <cstdio>
 
@@ -28,6 +30,8 @@ RandomRayVolumeEstimator FlatSourceDomain::volume_estimator_ {
   RandomRayVolumeEstimator::HYBRID};
 bool FlatSourceDomain::volume_normalized_flux_tallies_ {false};
 bool FlatSourceDomain::adjoint_ {false};
+std::unordered_map<int, vector<std::pair<Source::DomainType, int>>>
+  FlatSourceDomain::mesh_domain_map_;
 
 FlatSourceDomain::FlatSourceDomain() : negroups_(data::mg.num_energy_groups_)
 {
@@ -35,20 +39,21 @@ FlatSourceDomain::FlatSourceDomain() : negroups_(data::mg.num_energy_groups_)
   // indices, and store the material type The reason for the offsets is that
   // some cell types may not have material fills, and therefore do not
   // produce FSRs. Thus, we cannot index into the global arrays directly
+  int base_source_regions = 0;
   for (const auto& c : model::cells) {
     if (c->type_ != Fill::MATERIAL) {
       source_region_offsets_.push_back(-1);
     } else {
-      source_region_offsets_.push_back(n_source_regions_);
-      n_source_regions_ += c->n_instances_;
-      n_source_elements_ += c->n_instances_ * negroups_;
+      source_region_offsets_.push_back(base_source_regions);
+      base_source_regions += c->n_instances_;
     }
   }
 
-  // Initialize cell-wise arrays
+  // Initialize source regions.
   bool is_linear = RandomRay::source_shape_ != RandomRaySourceShape::FLAT;
   source_regions_ = SourceRegionContainer(negroups_, is_linear);
-  source_regions_.assign(n_source_regions_, SourceRegion(negroups_, is_linear));
+  source_regions_.assign(
+    base_source_regions, SourceRegion(negroups_, is_linear));
 
   // Initialize materials
   int64_t source_region_id = 0;
@@ -62,7 +67,7 @@ FlatSourceDomain::FlatSourceDomain() : negroups_(data::mg.num_energy_groups_)
   }
 
   // Sanity check
-  if (source_region_id != n_source_regions_) {
+  if (source_region_id != base_source_regions) {
     fatal_error("Unexpected number of source regions");
   }
 
@@ -92,12 +97,13 @@ void FlatSourceDomain::batch_reset()
 {
 // Reset scalar fluxes and iteration volume tallies to zero
 #pragma omp parallel for
-  for (int64_t sr = 0; sr < n_source_regions_; sr++) {
+  for (int64_t sr = 0; sr < n_source_regions(); sr++) {
     source_regions_.volume(sr) = 0.0;
     source_regions_.volume_sq(sr) = 0.0;
   }
+
 #pragma omp parallel for
-  for (int64_t se = 0; se < n_source_elements_; se++) {
+  for (int64_t se = 0; se < n_source_elements(); se++) {
     source_regions_.scalar_flux_new(se) = 0.0;
   }
 }
@@ -105,7 +111,7 @@ void FlatSourceDomain::batch_reset()
 void FlatSourceDomain::accumulate_iteration_flux()
 {
 #pragma omp parallel for
-  for (int64_t se = 0; se < n_source_elements_; se++) {
+  for (int64_t se = 0; se < n_source_elements(); se++) {
     source_regions_.scalar_flux_final(se) +=
       source_regions_.scalar_flux_new(se);
   }
@@ -121,13 +127,13 @@ void FlatSourceDomain::update_neutron_source(double k_eff)
 
 // Reset all source regions to zero (important for void regions)
 #pragma omp parallel for
-  for (int64_t se = 0; se < n_source_elements_; se++) {
+  for (int64_t se = 0; se < n_source_elements(); se++) {
     source_regions_.source(se) = 0.0;
   }
 
   // Add scattering + fission source
 #pragma omp parallel for
-  for (int64_t sr = 0; sr < n_source_regions_; sr++) {
+  for (int64_t sr = 0; sr < n_source_regions(); sr++) {
     int material = source_regions_.material(sr);
     if (material == MATERIAL_VOID) {
       continue;
@@ -155,7 +161,7 @@ void FlatSourceDomain::update_neutron_source(double k_eff)
   // Add external source if in fixed source mode
   if (settings::run_mode == RunMode::FIXED_SOURCE) {
 #pragma omp parallel for
-    for (int64_t se = 0; se < n_source_elements_; se++) {
+    for (int64_t se = 0; se < n_source_elements(); se++) {
       source_regions_.source(se) += source_regions_.external_source(se);
     }
   }
@@ -174,14 +180,14 @@ void FlatSourceDomain::normalize_scalar_flux_and_volumes(
 // Normalize scalar flux to total distance travelled by all rays this
 // iteration
 #pragma omp parallel for
-  for (int64_t se = 0; se < n_source_elements_; se++) {
+  for (int64_t se = 0; se < n_source_elements(); se++) {
     source_regions_.scalar_flux_new(se) *= normalization_factor;
   }
 
 // Accumulate cell-wise ray length tallies collected this iteration, then
 // update the simulation-averaged cell-wise volume estimates
 #pragma omp parallel for
-  for (int64_t sr = 0; sr < n_source_regions_; sr++) {
+  for (int64_t sr = 0; sr < n_source_regions(); sr++) {
     source_regions_.volume_t(sr) += source_regions_.volume(sr);
     source_regions_.volume_sq_t(sr) += source_regions_.volume_sq(sr);
     source_regions_.volume_naive(sr) =
@@ -225,9 +231,10 @@ void FlatSourceDomain::set_flux_to_source(int64_t sr, int g)
 int64_t FlatSourceDomain::add_source_to_scalar_flux()
 {
   int64_t n_hits = 0;
+  double inverse_batch = 1.0 / simulation::current_batch;
 
 #pragma omp parallel for reduction(+ : n_hits)
-  for (int64_t sr = 0; sr < n_source_regions_; sr++) {
+  for (int64_t sr = 0; sr < n_source_regions(); sr++) {
 
     double volume_simulation_avg = source_regions_.volume(sr);
     double volume_iteration = source_regions_.volume_naive(sr);
@@ -237,6 +244,14 @@ int64_t FlatSourceDomain::add_source_to_scalar_flux()
       n_hits++;
     }
 
+    // Set the SR to small status if its expected number of hits
+    // per iteration is less than 1.5
+    if (source_regions_.n_hits(sr) * inverse_batch < MIN_HITS_PER_BATCH) {
+      source_regions_.is_small(sr) = 1;
+    } else {
+      source_regions_.is_small(sr) = 0;
+    }
+
     // The volume treatment depends on the volume estimator type
     // and whether or not an external source is present in the cell.
     double volume;
@@ -248,7 +263,8 @@ int64_t FlatSourceDomain::add_source_to_scalar_flux()
       volume = volume_simulation_avg;
       break;
     case RandomRayVolumeEstimator::HYBRID:
-      if (source_regions_.external_source_present(sr)) {
+      if (source_regions_.external_source_present(sr) ||
+          source_regions_.is_small(sr)) {
         volume = volume_iteration;
       } else {
         volume = volume_simulation_avg;
@@ -279,16 +295,12 @@ int64_t FlatSourceDomain::add_source_to_scalar_flux()
         // in the cell we will use the previous iteration's flux estimate. This
         // injects a small degree of correlation into the simulation, but this
         // is going to be trivial when the miss rate is a few percent or less.
-        if (source_regions_.external_source_present(sr)) {
+        if (source_regions_.external_source_present(sr) && !adjoint_) {
           set_flux_to_old_flux(sr, g);
         } else {
           set_flux_to_source(sr, g);
         }
       }
-      // If the FSR was not hit this iteration, and it has never been hit in
-      // any iteration (i.e., volume is zero), then we want to set this to 0
-      // to avoid dividing anything by a zero volume. This happens implicitly
-      // given that the new scalar flux arrays are set to zero each iteration.
     }
   }
 
@@ -304,10 +316,10 @@ double FlatSourceDomain::compute_k_eff(double k_eff_old) const
   double fission_rate_new = 0;
 
   // Vector for gathering fission source terms for Shannon entropy calculation
-  vector<float> p(n_source_regions_, 0.0f);
+  vector<float> p(n_source_regions(), 0.0f);
 
 #pragma omp parallel for reduction(+ : fission_rate_old, fission_rate_new)
-  for (int64_t sr = 0; sr < n_source_regions_; sr++) {
+  for (int64_t sr = 0; sr < n_source_regions(); sr++) {
 
     // If simulation averaged volume is zero, don't include this cell
     double volume = source_regions_.volume(sr);
@@ -350,7 +362,7 @@ double FlatSourceDomain::compute_k_eff(double k_eff_old) const
   double inverse_sum = 1 / fission_rate_new;
 
 #pragma omp parallel for reduction(+ : H)
-  for (int64_t sr = 0; sr < n_source_regions_; sr++) {
+  for (int64_t sr = 0; sr < n_source_regions(); sr++) {
     // Only if FSR has non-negative and non-zero fission source
     if (p[sr] > 0.0f) {
       // Normalize to total weight of bank sites. p_i for better performance
@@ -408,7 +420,7 @@ void FlatSourceDomain::convert_source_regions_to_tallies()
 
 // Attempt to generate mapping for all source regions
 #pragma omp parallel for
-  for (int64_t sr = 0; sr < n_source_regions_; sr++) {
+  for (int64_t sr = 0; sr < n_source_regions(); sr++) {
 
     // If this source region has not been hit by a ray yet, then
     // we aren't going to be able to map it, so skip it.
@@ -423,6 +435,7 @@ void FlatSourceDomain::convert_source_regions_to_tallies()
     Particle p;
     p.r() = source_regions_.position(sr);
     p.r_last() = source_regions_.position(sr);
+    p.u() = {1.0, 0.0, 0.0};
     bool found = exhaustive_find_cell(p);
 
     // Loop over energy groups (so as to support energy filters)
@@ -517,7 +530,7 @@ double FlatSourceDomain::compute_fixed_source_normalization_factor() const
   // total external source strength in the simulation.
   double simulation_external_source_strength = 0.0;
 #pragma omp parallel for reduction(+ : simulation_external_source_strength)
-  for (int64_t sr = 0; sr < n_source_regions_; sr++) {
+  for (int64_t sr = 0; sr < n_source_regions(); sr++) {
     int material = source_regions_.material(sr);
     double volume = source_regions_.volume(sr) * simulation_volume_;
     for (int g = 0; g < negroups_; g++) {
@@ -570,7 +583,7 @@ void FlatSourceDomain::random_ray_tally()
 // element, we check if there are any scores needed and apply
 // them.
 #pragma omp parallel for
-  for (int64_t sr = 0; sr < n_source_regions_; sr++) {
+  for (int64_t sr = 0; sr < n_source_regions(); sr++) {
     // The fsr.volume_ is the unitless fractional simulation averaged volume
     // (i.e., it is the FSR's fraction of the overall simulation volume). The
     // simulation_volume_ is the total 3D physical volume in cm^3 of the
@@ -673,30 +686,6 @@ void FlatSourceDomain::random_ray_tally()
   openmc::simulation::time_tallies.stop();
 }
 
-void FlatSourceDomain::all_reduce_replicated_source_regions()
-{
-#ifdef OPENMC_MPI
-  // If we only have 1 MPI rank, no need
-  // to reduce anything.
-  if (mpi::n_procs <= 1)
-    return;
-
-  simulation::time_bank_sendrecv.start();
-
-  // First, we broadcast the fully mapped tally status variable so that
-  // all ranks are on the same page
-  int mapped_all_tallies_i = static_cast<int>(mapped_all_tallies_);
-  MPI_Bcast(&mapped_all_tallies_i, 1, MPI_INT, 0, mpi::intracomm);
-
-  bool reduce_position =
-    simulation::current_batch > settings::n_inactive && !mapped_all_tallies_i;
-
-  source_regions_.mpi_sync_ranks(reduce_position);
-
-  simulation::time_bank_sendrecv.stop();
-#endif
-}
-
 double FlatSourceDomain::evaluate_flux_at_point(
   Position r, int64_t sr, int g) const
 {
@@ -765,8 +754,9 @@ void FlatSourceDomain::output_to_vtk() const
     // Relate voxel spatial locations to random ray source regions
     vector<int> voxel_indices(Nx * Ny * Nz);
     vector<Position> voxel_positions(Nx * Ny * Nz);
-
-#pragma omp parallel for collapse(3)
+    vector<double> weight_windows(Nx * Ny * Nz);
+    float min_weight = 1e20;
+#pragma omp parallel for collapse(3) reduction(min : min_weight)
     for (int z = 0; z < Nz; z++) {
       for (int y = 0; y < Ny; y++) {
         for (int x = 0; x < Nx; x++) {
@@ -776,12 +766,49 @@ void FlatSourceDomain::output_to_vtk() const
           sample.x = ll.x + x_delta / 2.0 + x * x_delta;
           Particle p;
           p.r() = sample;
+          p.r_last() = sample;
+          p.E() = 1.0;
+          p.E_last() = 1.0;
+          p.u() = {1.0, 0.0, 0.0};
+
           bool found = exhaustive_find_cell(p);
+          if (!found) {
+            voxel_indices[z * Ny * Nx + y * Nx + x] = -1;
+            voxel_positions[z * Ny * Nx + y * Nx + x] = sample;
+            weight_windows[z * Ny * Nx + y * Nx + x] = 0.0;
+            continue;
+          }
+
           int i_cell = p.lowest_coord().cell;
-          int64_t source_region_idx =
-            source_region_offsets_[i_cell] + p.cell_instance();
-          voxel_indices[z * Ny * Nx + y * Nx + x] = source_region_idx;
+          int64_t sr = source_region_offsets_[i_cell] + p.cell_instance();
+          if (RandomRay::mesh_subdivision_enabled_) {
+            int mesh_idx = base_source_regions_.mesh(sr);
+            int mesh_bin;
+            if (mesh_idx == C_NONE) {
+              mesh_bin = 0;
+            } else {
+              mesh_bin = model::meshes[mesh_idx]->get_bin(p.r());
+            }
+            SourceRegionKey sr_key {sr, mesh_bin};
+            auto it = source_region_map_.find(sr_key);
+            if (it != source_region_map_.end()) {
+              sr = it->second;
+            } else {
+              sr = -1;
+            }
+          }
+
+          voxel_indices[z * Ny * Nx + y * Nx + x] = sr;
           voxel_positions[z * Ny * Nx + y * Nx + x] = sample;
+
+          if (variance_reduction::weight_windows.size() == 1) {
+            WeightWindow ww =
+              variance_reduction::weight_windows[0]->get_weight_window(p);
+            float weight = ww.lower_weight;
+            weight_windows[z * Ny * Nx + y * Nx + x] = weight;
+            if (weight < min_weight)
+              min_weight = weight;
+          }
         }
       }
     }
@@ -798,10 +825,14 @@ void FlatSourceDomain::output_to_vtk() const
     std::fprintf(plot, "BINARY\n");
     std::fprintf(plot, "DATASET STRUCTURED_POINTS\n");
     std::fprintf(plot, "DIMENSIONS %d %d %d\n", Nx, Ny, Nz);
-    std::fprintf(plot, "ORIGIN 0 0 0\n");
+    std::fprintf(plot, "ORIGIN %lf %lf %lf\n", ll.x, ll.y, ll.z);
     std::fprintf(plot, "SPACING %lf %lf %lf\n", x_delta, y_delta, z_delta);
     std::fprintf(plot, "POINT_DATA %d\n", Nx * Ny * Nz);
 
+    int64_t num_neg = 0;
+    int64_t num_samples = 0;
+    float min_flux = 0.0;
+    float max_flux = -1.0e20;
     // Plot multigroup flux data
     for (int g = 0; g < negroups_; g++) {
       std::fprintf(plot, "SCALARS flux_group_%d float\n", g);
@@ -809,12 +840,36 @@ void FlatSourceDomain::output_to_vtk() const
       for (int i = 0; i < Nx * Ny * Nz; i++) {
         int64_t fsr = voxel_indices[i];
         int64_t source_element = fsr * negroups_ + g;
-        float flux = evaluate_flux_at_point(voxel_positions[i], fsr, g);
+        float flux = 0;
+        if (fsr >= 0) {
+          flux = evaluate_flux_at_point(voxel_positions[i], fsr, g);
+          if (flux < 0.0)
+            flux = FlatSourceDomain::evaluate_flux_at_point(
+              voxel_positions[i], fsr, g);
+        }
+        if (flux < 0.0) {
+          num_neg++;
+          if (flux < min_flux) {
+            min_flux = flux;
+          }
+        }
+        if (flux > max_flux)
+          max_flux = flux;
+        num_samples++;
         flux = convert_to_big_endian<float>(flux);
         std::fwrite(&flux, sizeof(float), 1, plot);
       }
     }
 
+    // Slightly negative fluxes can be normal when sampling corners of linear
+    // source regions. However, very common and high magnitude negative fluxes
+    // may indicate numerical instability.
+    if (num_neg > 0) {
+      warning(fmt::format("{} plot samples ({:.4f}%) contained negative fluxes "
+                          "(minumum found = {:.2e} maximum_found = {:.2e})",
+        num_neg, (100.0 * num_neg) / num_samples, min_flux, max_flux));
+    }
+
     // Plot FSRs
     std::fprintf(plot, "SCALARS FSRs float\n");
     std::fprintf(plot, "LOOKUP_TABLE default\n");
@@ -828,7 +883,9 @@ void FlatSourceDomain::output_to_vtk() const
     std::fprintf(plot, "SCALARS Materials int\n");
     std::fprintf(plot, "LOOKUP_TABLE default\n");
     for (int fsr : voxel_indices) {
-      int mat = source_regions_.material(fsr);
+      int mat = -1;
+      if (fsr >= 0)
+        mat = source_regions_.material(fsr);
       mat = convert_to_big_endian<int>(mat);
       std::fwrite(&mat, sizeof(int), 1, plot);
     }
@@ -839,15 +896,16 @@ void FlatSourceDomain::output_to_vtk() const
       std::fprintf(plot, "LOOKUP_TABLE default\n");
       for (int i = 0; i < Nx * Ny * Nz; i++) {
         int64_t fsr = voxel_indices[i];
-
         float total_fission = 0.0;
-        int mat = source_regions_.material(fsr);
-        if (mat != MATERIAL_VOID) {
-          for (int g = 0; g < negroups_; g++) {
-            int64_t source_element = fsr * negroups_ + g;
-            float flux = evaluate_flux_at_point(voxel_positions[i], fsr, g);
-            double sigma_f = sigma_f_[mat * negroups_ + g];
-            total_fission += sigma_f * flux;
+        if (fsr >= 0) {
+          int mat = source_regions_.material(fsr);
+          if (mat != MATERIAL_VOID) {
+            for (int g = 0; g < negroups_; g++) {
+              int64_t source_element = fsr * negroups_ + g;
+              float flux = evaluate_flux_at_point(voxel_positions[i], fsr, g);
+              double sigma_f = sigma_f_[mat * negroups_ + g];
+              total_fission += sigma_f * flux;
+            }
           }
         }
         total_fission = convert_to_big_endian<float>(total_fission);
@@ -859,14 +917,29 @@ void FlatSourceDomain::output_to_vtk() const
       for (int i = 0; i < Nx * Ny * Nz; i++) {
         int64_t fsr = voxel_indices[i];
         float total_external = 0.0f;
-        for (int g = 0; g < negroups_; g++) {
-          total_external += source_regions_.external_source(fsr, g);
+        if (fsr >= 0) {
+          for (int g = 0; g < negroups_; g++) {
+            total_external += source_regions_.external_source(fsr, g);
+          }
         }
         total_external = convert_to_big_endian<float>(total_external);
         std::fwrite(&total_external, sizeof(float), 1, plot);
       }
     }
 
+    // Plot weight window data
+    if (variance_reduction::weight_windows.size() == 1) {
+      std::fprintf(plot, "SCALARS weight_window_lower float\n");
+      std::fprintf(plot, "LOOKUP_TABLE default\n");
+      for (int i = 0; i < Nx * Ny * Nz; i++) {
+        float weight = weight_windows[i];
+        if (weight == 0.0)
+          weight = min_weight;
+        weight = convert_to_big_endian<float>(weight);
+        std::fwrite(&weight, sizeof(float), 1, plot);
+      }
+    }
+
     std::fclose(plot);
   }
 }
@@ -938,7 +1011,7 @@ void FlatSourceDomain::count_external_source_regions()
 {
   n_external_source_regions_ = 0;
 #pragma omp parallel for reduction(+ : n_external_source_regions_)
-  for (int64_t sr = 0; sr < n_source_regions_; sr++) {
+  for (int64_t sr = 0; sr < n_source_regions(); sr++) {
     if (source_regions_.external_source_present(sr)) {
       n_external_source_regions_++;
     }
@@ -984,7 +1057,7 @@ void FlatSourceDomain::convert_external_sources()
 // Divide the fixed source term by sigma t (to save time when applying each
 // iteration)
 #pragma omp parallel for
-  for (int64_t sr = 0; sr < n_source_regions_; sr++) {
+  for (int64_t sr = 0; sr < n_source_regions(); sr++) {
     int material = source_regions_.material(sr);
     if (material == MATERIAL_VOID) {
       continue;
@@ -1056,7 +1129,7 @@ void FlatSourceDomain::set_adjoint_sources(const vector<double>& forward_flux)
   // small in magnitude, but rather due to the source region being physically
   // small in volume and thus having a noisy flux estimate.
 #pragma omp parallel for
-  for (int64_t sr = 0; sr < n_source_regions_; sr++) {
+  for (int64_t sr = 0; sr < n_source_regions(); sr++) {
     for (int g = 0; g < negroups_; g++) {
       double flux = forward_flux[sr * negroups_ + g];
       if (flux <= 0.0) {
@@ -1064,13 +1137,16 @@ void FlatSourceDomain::set_adjoint_sources(const vector<double>& forward_flux)
       } else {
         source_regions_.external_source(sr, g) = 1.0 / flux;
       }
+      if (flux > 0.0) {
+        source_regions_.external_source_present(sr) = 1;
+      }
     }
   }
 
   // Divide the fixed source term by sigma t (to save time when applying each
   // iteration)
 #pragma omp parallel for
-  for (int64_t sr = 0; sr < n_source_regions_; sr++) {
+  for (int64_t sr = 0; sr < n_source_regions(); sr++) {
     int material = source_regions_.material(sr);
     if (material == MATERIAL_VOID) {
       continue;
@@ -1103,12 +1179,252 @@ void FlatSourceDomain::transpose_scattering_matrix()
 void FlatSourceDomain::serialize_final_fluxes(vector<double>& flux)
 {
   // Ensure array is correct size
-  flux.resize(n_source_regions_ * negroups_);
+  flux.resize(n_source_regions() * negroups_);
 // Serialize the final fluxes for output
 #pragma omp parallel for
-  for (int64_t se = 0; se < n_source_elements_; se++) {
+  for (int64_t se = 0; se < n_source_elements(); se++) {
     flux[se] = source_regions_.scalar_flux_final(se);
   }
 }
 
+void FlatSourceDomain::apply_mesh_to_cell_instances(int32_t i_cell,
+  int32_t mesh_idx, int target_material_id, const vector<int32_t>& instances,
+  bool is_target_void)
+{
+  Cell& cell = *model::cells[i_cell];
+  if (cell.type_ != Fill::MATERIAL)
+    return;
+  for (int32_t j : instances) {
+    int cell_material_idx = cell.material(j);
+    int cell_material_id = (cell_material_idx == C_NONE)
+                             ? C_NONE
+                             : model::materials[cell_material_idx]->id();
+
+    if ((target_material_id == C_NONE && !is_target_void) ||
+        cell_material_id == target_material_id) {
+      int64_t sr = source_region_offsets_[i_cell] + j;
+      if (source_regions_.mesh(sr) != C_NONE) {
+        // print out the source region that is broken:
+        fatal_error(fmt::format("Source region {} already has mesh idx {} "
+                                "applied, but trying to apply mesh idx {}",
+          sr, source_regions_.mesh(sr), mesh_idx));
+      }
+      source_regions_.mesh(sr) = mesh_idx;
+    }
+  }
+}
+
+void FlatSourceDomain::apply_mesh_to_cell_and_children(int32_t i_cell,
+  int32_t mesh_idx, int32_t target_material_id, bool is_target_void)
+{
+  Cell& cell = *model::cells[i_cell];
+
+  if (cell.type_ == Fill::MATERIAL) {
+    vector<int> instances(cell.n_instances_);
+    std::iota(instances.begin(), instances.end(), 0);
+    apply_mesh_to_cell_instances(
+      i_cell, mesh_idx, target_material_id, instances, is_target_void);
+  } else if (target_material_id == C_NONE && !is_target_void) {
+    for (int j = 0; j < cell.n_instances_; j++) {
+      std::unordered_map<int32_t, vector<int32_t>> cell_instance_list =
+        cell.get_contained_cells(j, nullptr);
+      for (const auto& pair : cell_instance_list) {
+        int32_t i_child_cell = pair.first;
+        apply_mesh_to_cell_instances(i_child_cell, mesh_idx, target_material_id,
+          pair.second, is_target_void);
+      }
+    }
+  }
+}
+
+void FlatSourceDomain::apply_meshes()
+{
+  // Skip if there are no mappings between mesh IDs and domains
+  if (mesh_domain_map_.empty())
+    return;
+
+  // Loop over meshes
+  for (int mesh_idx = 0; mesh_idx < model::meshes.size(); mesh_idx++) {
+    Mesh* mesh = model::meshes[mesh_idx].get();
+    int mesh_id = mesh->id();
+
+    // Skip if mesh id is not present in the map
+    if (mesh_domain_map_.find(mesh_id) == mesh_domain_map_.end())
+      continue;
+
+    // Loop over domains associated with the mesh
+    for (auto& domain : mesh_domain_map_[mesh_id]) {
+      Source::DomainType domain_type = domain.first;
+      int domain_id = domain.second;
+
+      if (domain_type == Source::DomainType::MATERIAL) {
+        for (int i_cell = 0; i_cell < model::cells.size(); i_cell++) {
+          if (domain_id == C_NONE) {
+            apply_mesh_to_cell_and_children(i_cell, mesh_idx, domain_id, true);
+          } else {
+            apply_mesh_to_cell_and_children(i_cell, mesh_idx, domain_id, false);
+          }
+        }
+      } else if (domain_type == Source::DomainType::CELL) {
+        int32_t i_cell = model::cell_map[domain_id];
+        apply_mesh_to_cell_and_children(i_cell, mesh_idx, C_NONE, false);
+      } else if (domain_type == Source::DomainType::UNIVERSE) {
+        int32_t i_universe = model::universe_map[domain_id];
+        Universe& universe = *model::universes[i_universe];
+        for (int32_t i_cell : universe.cells_) {
+          apply_mesh_to_cell_and_children(i_cell, mesh_idx, C_NONE, false);
+        }
+      }
+    }
+  }
+}
+
+void FlatSourceDomain::prepare_base_source_regions()
+{
+  std::swap(source_regions_, base_source_regions_);
+  source_regions_.negroups() = base_source_regions_.negroups();
+  source_regions_.is_linear() = base_source_regions_.is_linear();
+}
+
+SourceRegionHandle FlatSourceDomain::get_subdivided_source_region_handle(
+  int64_t sr, int mesh_bin, Position r, double dist, Direction u)
+{
+  SourceRegionKey sr_key {sr, mesh_bin};
+
+  // Case 1: Check if the source region key is already present in the permanent
+  // map. This is the most common condition, as any source region visited in a
+  // previous power iteration will already be present in the permanent map. If
+  // the source region key is found, we translate the key into a specific 1D
+  // source region index and return a handle its position in the
+  // source_regions_ vector.
+  auto it = source_region_map_.find(sr_key);
+  if (it != source_region_map_.end()) {
+    int64_t sr = it->second;
+    return source_regions_.get_source_region_handle(sr);
+  }
+
+  // Case 2: Check if the source region key is present in the temporary (thread
+  // safe) map. This is a common occurrence in the first power iteration when
+  // the source region has already been visited already by some other ray. We
+  // begin by locking the temporary map before any operations are performed. The
+  // lock is not global over the full data structure -- it will be dependent on
+  // which key is used.
+  discovered_source_regions_.lock(sr_key);
+
+  // If the key is found in the temporary map, then we return a handle to the
+  // source region that is stored in the temporary map.
+  if (discovered_source_regions_.contains(sr_key)) {
+    SourceRegionHandle handle {discovered_source_regions_[sr_key]};
+    discovered_source_regions_.unlock(sr_key);
+    return handle;
+  }
+
+  // Case 3: The source region key is not present anywhere, but it is only due
+  // to floating point artifacts. These artifacts occur when the overlaid mesh
+  // overlaps with actual geometry surfaces. In these cases, roundoff error may
+  // result in the ray tracer detecting an additional (very short) segment
+  // though a mesh bin that is actually past the physical source region
+  // boundary. This is a result of the the multi-level ray tracing treatment in
+  // OpenMC, which depending on the number of universes in the hierarchy etc can
+  // result in the wrong surface being selected as the nearest. This can happen
+  // in a lattice when there are two directions that both are very close in
+  // distance, within the tolerance of FP_REL_PRECISION, and the are thus
+  // treated as being equivalent so alternative logic is used. However, when we
+  // go and ray trace on this with the mesh tracer we may go past the surface
+  // bounding the current source region.
+  //
+  // To filter out this case, before we create the new source region, we double
+  // check that the actual starting point of this segment (r) is still in the
+  // same geometry source region that we started in. If an artifact is detected,
+  // we discard the segment (and attenuation through it) as it is not really a
+  // valid source region and will have only an infinitessimally small cell
+  // combined with the mesh bin. Thankfully, this is a fairly rare condition,
+  // and only triggers for very short ray lengths. It can be fixed by decreasing
+  // the value of FP_REL_PRECISION in constants.h, but this may have unknown
+  // consequences for the general ray tracer, so for now we do the below sanity
+  // checks before generating phantom source regions. A significant extra cost
+  // is incurred in instantiating the GeometryState object and doing a cell
+  // lookup, but again, this is going to be an extremely rare thing to check
+  // after the first power iteration has completed.
+
+  // Sanity check on source region id
+  GeometryState gs;
+  gs.r() = r + TINY_BIT * u;
+  gs.u() = {1.0, 0.0, 0.0};
+  exhaustive_find_cell(gs);
+  int gs_i_cell = gs.lowest_coord().cell;
+  int64_t sr_found = source_region_offsets_[gs_i_cell] + gs.cell_instance();
+  if (sr_found != sr) {
+    discovered_source_regions_.unlock(sr_key);
+    SourceRegionHandle handle;
+    handle.is_numerical_fp_artifact_ = true;
+    return handle;
+  }
+
+  // Sanity check on mesh bin
+  int mesh_idx = base_source_regions_.mesh(sr);
+  if (mesh_idx == C_NONE) {
+    if (mesh_bin != 0) {
+      discovered_source_regions_.unlock(sr_key);
+      SourceRegionHandle handle;
+      handle.is_numerical_fp_artifact_ = true;
+      return handle;
+    }
+  } else {
+    Mesh* mesh = model::meshes[mesh_idx].get();
+    int bin_found = mesh->get_bin(r + TINY_BIT * u);
+    if (bin_found != mesh_bin) {
+      discovered_source_regions_.unlock(sr_key);
+      SourceRegionHandle handle;
+      handle.is_numerical_fp_artifact_ = true;
+      return handle;
+    }
+  }
+
+  // Case 4: The source region key is valid, but is not present anywhere. This
+  // condition only occurs the first time the source region is discovered
+  // (typically in the first power iteration). In this case, we need to handle
+  // creation of the new source region and its storage into the parallel map.
+  // The new source region is created by copying the base source region, so as
+  // to inherit material, external source, and some flux properties etc. We
+  // also pass the base source region id to allow the new source region to
+  // know which base source region it is derived from.
+  SourceRegion* sr_ptr = discovered_source_regions_.emplace(
+    sr_key, {base_source_regions_.get_source_region_handle(sr), sr});
+  discovered_source_regions_.unlock(sr_key);
+  SourceRegionHandle handle {*sr_ptr};
+  return handle;
+}
+
+void FlatSourceDomain::finalize_discovered_source_regions()
+{
+  // Extract keys for entries with a valid volume.
+  vector<SourceRegionKey> keys;
+  for (const auto& pair : discovered_source_regions_) {
+    if (pair.second.volume_ > 0.0) {
+      keys.push_back(pair.first);
+    }
+  }
+
+  if (!keys.empty()) {
+    // Sort the keys, so as to ensure reproducible ordering given that source
+    // regions may have been added to discovered_source_regions_ in an arbitrary
+    // order due to shared memory threading.
+    std::sort(keys.begin(), keys.end());
+
+    // Append the source regions in the sorted key order.
+    for (const auto& key : keys) {
+      const SourceRegion& sr = discovered_source_regions_[key];
+      source_region_map_[key] = source_regions_.n_source_regions();
+      source_regions_.push_back(sr);
+    }
+
+    // If any new source regions were discovered, we need to update the
+    // tally mapping between source regions and tally bins.
+    mapped_all_tallies_ = false;
+  }
+
+  discovered_source_regions_.clear();
+}
+
 } // namespace openmc
diff --git a/src/random_ray/linear_source_domain.cpp b/src/random_ray/linear_source_domain.cpp
index 3819c7d70..81412164e 100644
--- a/src/random_ray/linear_source_domain.cpp
+++ b/src/random_ray/linear_source_domain.cpp
@@ -24,12 +24,12 @@ void LinearSourceDomain::batch_reset()
 {
   FlatSourceDomain::batch_reset();
 #pragma omp parallel for
-  for (int64_t sr = 0; sr < n_source_regions_; sr++) {
+  for (int64_t sr = 0; sr < n_source_regions(); sr++) {
     source_regions_.centroid_iteration(sr) = {0.0, 0.0, 0.0};
     source_regions_.mom_matrix(sr) = {0.0, 0.0, 0.0, 0.0, 0.0, 0.0};
   }
 #pragma omp parallel for
-  for (int64_t se = 0; se < n_source_elements_; se++) {
+  for (int64_t se = 0; se < n_source_elements(); se++) {
     source_regions_.flux_moments_new(se) = {0.0, 0.0, 0.0};
   }
 }
@@ -40,8 +40,14 @@ void LinearSourceDomain::update_neutron_source(double k_eff)
 
   double inverse_k_eff = 1.0 / k_eff;
 
+// Reset all source regions to zero (important for void regions)
 #pragma omp parallel for
-  for (int64_t sr = 0; sr < n_source_regions_; sr++) {
+  for (int64_t se = 0; se < n_source_elements(); se++) {
+    source_regions_.source(se) = 0.0;
+  }
+
+#pragma omp parallel for
+  for (int64_t sr = 0; sr < n_source_regions(); sr++) {
     int material = source_regions_.material(sr);
     if (material == MATERIAL_VOID) {
       continue;
@@ -98,7 +104,7 @@ void LinearSourceDomain::update_neutron_source(double k_eff)
   if (settings::run_mode == RunMode::FIXED_SOURCE) {
 // Add external source to flat source term if in fixed source mode
 #pragma omp parallel for
-    for (int64_t se = 0; se < n_source_elements_; se++) {
+    for (int64_t se = 0; se < n_source_elements(); se++) {
       source_regions_.source(se) += source_regions_.external_source(se);
     }
   }
@@ -115,7 +121,7 @@ void LinearSourceDomain::normalize_scalar_flux_and_volumes(
 
 // Normalize flux to total distance travelled by all rays this iteration
 #pragma omp parallel for
-  for (int64_t se = 0; se < n_source_elements_; se++) {
+  for (int64_t se = 0; se < n_source_elements(); se++) {
     source_regions_.scalar_flux_new(se) *= normalization_factor;
     source_regions_.flux_moments_new(se) *= normalization_factor;
   }
@@ -123,7 +129,7 @@ void LinearSourceDomain::normalize_scalar_flux_and_volumes(
 // Accumulate cell-wise ray length tallies collected this iteration, then
 // update the simulation-averaged cell-wise volume estimates
 #pragma omp parallel for
-  for (int64_t sr = 0; sr < n_source_regions_; sr++) {
+  for (int64_t sr = 0; sr < n_source_regions(); sr++) {
     source_regions_.centroid_t(sr) += source_regions_.centroid_iteration(sr);
     source_regions_.mom_matrix_t(sr) += source_regions_.mom_matrix(sr);
     source_regions_.volume_t(sr) += source_regions_.volume(sr);
@@ -154,13 +160,22 @@ void LinearSourceDomain::set_flux_to_flux_plus_source(
     source_regions_.scalar_flux_new(sr, g) /= volume;
     source_regions_.scalar_flux_new(sr, g) += source_regions_.source(sr, g);
   }
-  source_regions_.flux_moments_new(sr, g) *= (1.0 / volume);
+  // If a source region is small, then the moments are likely noisy, so we zero
+  // them. This is reasonable, given that small regions can get by with a flat
+  // source approximation anyhow.
+  if (source_regions_.is_small(sr)) {
+    source_regions_.flux_moments_new(sr, g) = {0.0, 0.0, 0.0};
+  } else {
+    source_regions_.flux_moments_new(sr, g) *= (1.0 / volume);
+  }
 }
 
 void LinearSourceDomain::set_flux_to_old_flux(int64_t sr, int g)
 {
-  source_regions_.scalar_flux_new(g) = source_regions_.scalar_flux_old(g);
-  source_regions_.flux_moments_new(g) = source_regions_.flux_moments_old(g);
+  source_regions_.scalar_flux_new(sr, g) =
+    source_regions_.scalar_flux_old(sr, g);
+  source_regions_.flux_moments_new(sr, g) =
+    source_regions_.flux_moments_old(sr, g);
 }
 
 void LinearSourceDomain::accumulate_iteration_flux()
@@ -170,7 +185,7 @@ void LinearSourceDomain::accumulate_iteration_flux()
 
   // Accumulate scalar flux moments
 #pragma omp parallel for
-  for (int64_t se = 0; se < n_source_elements_; se++) {
+  for (int64_t se = 0; se < n_source_elements(); se++) {
     source_regions_.flux_moments_t(se) += source_regions_.flux_moments_new(se);
   }
 }
diff --git a/src/random_ray/random_ray.cpp b/src/random_ray/random_ray.cpp
index f9ebb6f9d..9a9d1394a 100644
--- a/src/random_ray/random_ray.cpp
+++ b/src/random_ray/random_ray.cpp
@@ -237,6 +237,7 @@ double RandomRay::distance_inactive_;
 double RandomRay::distance_active_;
 unique_ptr<Source> RandomRay::ray_source_;
 RandomRaySourceShape RandomRay::source_shape_ {RandomRaySourceShape::FLAT};
+bool RandomRay::mesh_subdivision_enabled_ {false};
 RandomRaySampleMethod RandomRay::sample_method_ {RandomRaySampleMethod::PRNG};
 
 RandomRay::RandomRay()
@@ -313,7 +314,7 @@ void RandomRay::event_advance_ray()
         wgt() = 0.0;
       }
 
-      attenuate_flux(distance_alive, true);
+      attenuate_flux(distance_alive, true, distance_dead);
       distance_travelled_ = distance_alive;
     } else {
       distance_travelled_ += distance;
@@ -327,23 +328,84 @@ void RandomRay::event_advance_ray()
   }
 }
 
-void RandomRay::attenuate_flux(double distance, bool is_active)
+void RandomRay::attenuate_flux(double distance, bool is_active, double offset)
 {
+  // Determine source region index etc.
+  int i_cell = lowest_coord().cell;
+
+  // The base source region is the spatial region index
+  int64_t sr = domain_->source_region_offsets_[i_cell] + cell_instance();
+
+  // Perform ray tracing across mesh
+  if (mesh_subdivision_enabled_) {
+    // Determine the mesh index for the base source region, if any
+    int mesh_idx = domain_->base_source_regions_.mesh(sr);
+
+    if (mesh_idx == C_NONE) {
+      // If there's no mesh being applied to this cell, then
+      // we just attenuate the flux as normal, and set
+      // the mesh bin to 0
+      attenuate_flux_inner(distance, is_active, sr, 0, r());
+    } else {
+      // If there is a mesh being applied to this cell, then
+      // we loop over all the bin crossings and attenuate
+      // separately.
+      Mesh* mesh = model::meshes[mesh_idx].get();
+
+      // We adjust the start and end positions of the ray slightly
+      // to accomodate for floating point precision issues that tend
+      // to occur at mesh boundaries that overlap with geometry lattice
+      // boundaries.
+      Position start = r() + (offset + TINY_BIT) * u();
+      Position end = start + (distance - 2.0 * TINY_BIT) * u();
+      double reduced_distance = (end - start).norm();
+
+      // Ray trace through the mesh and record bins and lengths
+      mesh_bins_.resize(0);
+      mesh_fractional_lengths_.resize(0);
+      mesh->bins_crossed(start, end, u(), mesh_bins_, mesh_fractional_lengths_);
+
+      // Loop over all mesh bins and attenuate flux
+      for (int b = 0; b < mesh_bins_.size(); b++) {
+        double physical_length = reduced_distance * mesh_fractional_lengths_[b];
+        attenuate_flux_inner(
+          physical_length, is_active, sr, mesh_bins_[b], start);
+        start += physical_length * u();
+      }
+    }
+  } else {
+    attenuate_flux_inner(distance, is_active, sr, C_NONE, r());
+  }
+}
+
+void RandomRay::attenuate_flux_inner(
+  double distance, bool is_active, int64_t sr, int mesh_bin, Position r)
+{
+  SourceRegionHandle srh;
+  if (mesh_subdivision_enabled_) {
+    srh = domain_->get_subdivided_source_region_handle(
+      sr, mesh_bin, r, distance, u());
+    if (srh.is_numerical_fp_artifact_) {
+      return;
+    }
+  } else {
+    srh = domain_->source_regions_.get_source_region_handle(sr);
+  }
 
   switch (source_shape_) {
   case RandomRaySourceShape::FLAT:
     if (this->material() == MATERIAL_VOID) {
-      attenuate_flux_flat_source_void(distance, is_active);
+      attenuate_flux_flat_source_void(srh, distance, is_active, r);
     } else {
-      attenuate_flux_flat_source(distance, is_active);
+      attenuate_flux_flat_source(srh, distance, is_active, r);
     }
     break;
   case RandomRaySourceShape::LINEAR:
   case RandomRaySourceShape::LINEAR_XY:
     if (this->material() == MATERIAL_VOID) {
-      attenuate_flux_linear_source_void(distance, is_active);
+      attenuate_flux_linear_source_void(srh, distance, is_active, r);
     } else {
-      attenuate_flux_linear_source(distance, is_active);
+      attenuate_flux_linear_source(srh, distance, is_active, r);
     }
     break;
   default:
@@ -364,18 +426,13 @@ void RandomRay::attenuate_flux(double distance, bool is_active)
 // than use of many atomic operations corresponding to each energy group
 // individually (at least on CPU). Several other bookkeeping tasks are also
 // performed when inside the lock.
-void RandomRay::attenuate_flux_flat_source(double distance, bool is_active)
+void RandomRay::attenuate_flux_flat_source(
+  SourceRegionHandle& srh, double distance, bool is_active, Position r)
 {
   // The number of geometric intersections is counted for reporting purposes
   n_event()++;
 
-  // Determine source region index etc.
-  int i_cell = lowest_coord().cell;
-
-  // The source region is the spatial region index
-  int64_t sr = domain_->source_region_offsets_[i_cell] + cell_instance();
-
-  // The source element is the energy-specific region index
+  // Get material
   int material = this->material();
 
   // MOC incoming flux attenuation + source contribution/attenuation equation
@@ -383,115 +440,99 @@ void RandomRay::attenuate_flux_flat_source(double distance, bool is_active)
     float sigma_t = domain_->sigma_t_[material * negroups_ + g];
     float tau = sigma_t * distance;
     float exponential = cjosey_exponential(tau); // exponential = 1 - exp(-tau)
-    float new_delta_psi =
-      (angular_flux_[g] - domain_->source_regions_.source(sr, g)) * exponential;
+    float new_delta_psi = (angular_flux_[g] - srh.source(g)) * exponential;
     delta_psi_[g] = new_delta_psi;
     angular_flux_[g] -= new_delta_psi;
   }
 
   // If ray is in the active phase (not in dead zone), make contributions to
   // source region bookkeeping
+
+  // Aquire lock for source region
+  srh.lock();
+
   if (is_active) {
-
-    // Aquire lock for source region
-    domain_->source_regions_.lock(sr).lock();
-
     // Accumulate delta psi into new estimate of source region flux for
     // this iteration
     for (int g = 0; g < negroups_; g++) {
-      domain_->source_regions_.scalar_flux_new(sr, g) += delta_psi_[g];
+      srh.scalar_flux_new(g) += delta_psi_[g];
     }
 
     // Accomulate volume (ray distance) into this iteration's estimate
     // of the source region's volume
-    domain_->source_regions_.volume(sr) += distance;
+    srh.volume() += distance;
 
-    // Tally valid position inside the source region (e.g., midpoint of
-    // the ray) if not done already
-    if (!domain_->source_regions_.position_recorded(sr)) {
-      Position midpoint = r() + u() * (distance / 2.0);
-      domain_->source_regions_.position(sr) = midpoint;
-      domain_->source_regions_.position_recorded(sr) = 1;
-    }
-
-    // Release lock
-    domain_->source_regions_.lock(sr).unlock();
+    srh.n_hits() += 1;
   }
+
+  // Tally valid position inside the source region (e.g., midpoint of
+  // the ray) if not done already
+  if (!srh.position_recorded()) {
+    Position midpoint = r + u() * (distance / 2.0);
+    srh.position() = midpoint;
+    srh.position_recorded() = 1;
+  }
+
+  // Release lock
+  srh.unlock();
 }
 
 // Alternative flux attenuation function for true void regions.
-void RandomRay::attenuate_flux_flat_source_void(double distance, bool is_active)
+void RandomRay::attenuate_flux_flat_source_void(
+  SourceRegionHandle& srh, double distance, bool is_active, Position r)
 {
   // The number of geometric intersections is counted for reporting purposes
   n_event()++;
 
-  // Determine source region index etc.
-  int i_cell = lowest_coord().cell;
-
-  // The source region is the spatial region index
-  int64_t sr = domain_->source_region_offsets_[i_cell] + cell_instance();
+  int material = this->material();
 
   // If ray is in the active phase (not in dead zone), make contributions to
   // source region bookkeeping
   if (is_active) {
 
     // Aquire lock for source region
-    domain_->source_regions_.lock(sr).lock();
+    srh.lock();
 
     // Accumulate delta psi into new estimate of source region flux for
     // this iteration
     for (int g = 0; g < negroups_; g++) {
-      domain_->source_regions_.scalar_flux_new(sr, g) +=
-        angular_flux_[g] * distance;
+      srh.scalar_flux_new(g) += angular_flux_[g] * distance;
     }
 
     // Accomulate volume (ray distance) into this iteration's estimate
     // of the source region's volume
-    domain_->source_regions_.volume(sr) += distance;
-    domain_->source_regions_.volume_sq(sr) += distance * distance;
+    srh.volume() += distance;
+    srh.volume_sq() += distance * distance;
+    srh.n_hits() += 1;
 
     // Tally valid position inside the source region (e.g., midpoint of
     // the ray) if not done already
-    if (!domain_->source_regions_.position_recorded(sr)) {
-      Position midpoint = r() + u() * (distance / 2.0);
-      domain_->source_regions_.position(sr) = midpoint;
-      domain_->source_regions_.position_recorded(sr) = 1;
+    if (!srh.position_recorded()) {
+      Position midpoint = r + u() * (distance / 2.0);
+      srh.position() = midpoint;
+      srh.position_recorded() = 1;
     }
 
     // Release lock
-    domain_->source_regions_.lock(sr).unlock();
+    srh.unlock();
   }
 
   // Add source to incoming angular flux, assuming void region
   for (int g = 0; g < negroups_; g++) {
-    angular_flux_[g] +=
-      domain_->source_regions_.external_source(sr, g) * distance;
+    angular_flux_[g] += srh.external_source(g) * distance;
   }
 }
 
-void RandomRay::attenuate_flux_linear_source(double distance, bool is_active)
+void RandomRay::attenuate_flux_linear_source(
+  SourceRegionHandle& srh, double distance, bool is_active, Position r)
 {
-  // Cast domain to LinearSourceDomain
-  LinearSourceDomain* domain = dynamic_cast<LinearSourceDomain*>(domain_);
-  if (!domain) {
-    fatal_error("RandomRay::attenuate_flux_linear_source() called with "
-                "non-LinearSourceDomain domain.");
-  }
-
   // The number of geometric intersections is counted for reporting purposes
   n_event()++;
 
-  // Determine source region index etc.
-  int i_cell = lowest_coord().cell;
-
-  // The source region is the spatial region index
-  int64_t sr = domain_->source_region_offsets_[i_cell] + cell_instance();
-
-  // The source element is the energy-specific region index
   int material = this->material();
 
-  Position& centroid = domain_->source_regions_.centroid(sr);
-  Position midpoint = r() + u() * (distance / 2.0);
+  Position& centroid = srh.centroid();
+  Position midpoint = r + u() * (distance / 2.0);
 
   // Determine the local position of the midpoint and the ray origin
   // relative to the source region's centroid
@@ -503,9 +544,9 @@ void RandomRay::attenuate_flux_linear_source(double distance, bool is_active)
   // be no estimate of its centroid. We detect this by checking if it has
   // any accumulated volume. If its volume is zero, just use the midpoint
   // of the ray as the region's centroid.
-  if (domain_->source_regions_.volume_t(sr)) {
+  if (srh.volume_t()) {
     rm_local = midpoint - centroid;
-    r0_local = r() - centroid;
+    r0_local = r - centroid;
   } else {
     rm_local = {0.0, 0.0, 0.0};
     r0_local = -u() * 0.5 * distance;
@@ -530,10 +571,8 @@ void RandomRay::attenuate_flux_linear_source(double distance, bool is_active)
     // calculated from the source gradients dot product with local centroid
     // and direction, respectively.
     float spatial_source =
-      domain_->source_regions_.source(sr, g) +
-      rm_local.dot(domain_->source_regions_.source_gradients(sr, g));
-    float dir_source =
-      u().dot(domain_->source_regions_.source_gradients(sr, g));
+      srh.source(g) + rm_local.dot(srh.source_gradients(g));
+    float dir_source = u().dot(srh.source_gradients(g));
 
     float gn = exponentialG(tau);
     float f1 = 1.0f - tau * gn;
@@ -566,44 +605,47 @@ void RandomRay::attenuate_flux_linear_source(double distance, bool is_active)
     }
   }
 
+  // Compute an estimate of the spatial moments matrix for the source
+  // region based on parameters from this ray's crossing
+  MomentMatrix moment_matrix_estimate;
+  moment_matrix_estimate.compute_spatial_moments_matrix(
+    rm_local, u(), distance);
+
+  // Aquire lock for source region
+  srh.lock();
+
   // If ray is in the active phase (not in dead zone), make contributions to
   // source region bookkeeping
+
   if (is_active) {
-    // Compute an estimate of the spatial moments matrix for the source
-    // region based on parameters from this ray's crossing
-    MomentMatrix moment_matrix_estimate;
-    moment_matrix_estimate.compute_spatial_moments_matrix(
-      rm_local, u(), distance);
-
-    // Aquire lock for source region
-    domain_->source_regions_.lock(sr).lock();
-
     // Accumulate deltas into the new estimate of source region flux for this
     // iteration
     for (int g = 0; g < negroups_; g++) {
-      domain_->source_regions_.scalar_flux_new(sr, g) += delta_psi_[g];
-      domain_->source_regions_.flux_moments_new(sr, g) += delta_moments_[g];
+      srh.scalar_flux_new(g) += delta_psi_[g];
+      srh.flux_moments_new(g) += delta_moments_[g];
     }
 
     // Accumulate the volume (ray segment distance), centroid, and spatial
     // momement estimates into the running totals for the iteration for this
-    // source region. The centroid and spatial momements estimates are scaled by
-    // the ray segment length as part of length averaging of the estimates.
-    domain_->source_regions_.volume(sr) += distance;
-    domain_->source_regions_.centroid_iteration(sr) += midpoint * distance;
+    // source region. The centroid and spatial momements estimates are scaled
+    // by the ray segment length as part of length averaging of the estimates.
+    srh.volume() += distance;
+    srh.centroid_iteration() += midpoint * distance;
     moment_matrix_estimate *= distance;
-    domain_->source_regions_.mom_matrix(sr) += moment_matrix_estimate;
+    srh.mom_matrix() += moment_matrix_estimate;
 
-    // Tally valid position inside the source region (e.g., midpoint of
-    // the ray) if not done already
-    if (!domain_->source_regions_.position_recorded(sr)) {
-      domain_->source_regions_.position(sr) = midpoint;
-      domain_->source_regions_.position_recorded(sr) = 1;
-    }
-
-    // Release lock
-    domain_->source_regions_.lock(sr).unlock();
+    srh.n_hits() += 1;
   }
+
+  // Tally valid position inside the source region (e.g., midpoint of
+  // the ray) if not done already
+  if (!srh.position_recorded()) {
+    srh.position() = midpoint;
+    srh.position_recorded() = 1;
+  }
+
+  // Release lock
+  srh.unlock();
 }
 
 // If traveling through a void region, the source term is either zero
@@ -615,26 +657,13 @@ void RandomRay::attenuate_flux_linear_source(double distance, bool is_active)
 // estimating the flux at specific pixel coordinates. Thus, plots will look
 // nicer/more accurate if we record flux moments, so this function is useful.
 void RandomRay::attenuate_flux_linear_source_void(
-  double distance, bool is_active)
+  SourceRegionHandle& srh, double distance, bool is_active, Position r)
 {
-  // Cast domain to LinearSourceDomain
-  LinearSourceDomain* domain = dynamic_cast<LinearSourceDomain*>(domain_);
-  if (!domain) {
-    fatal_error("RandomRay::attenuate_flux_linear_source() called with "
-                "non-LinearSourceDomain domain.");
-  }
-
   // The number of geometric intersections is counted for reporting purposes
   n_event()++;
 
-  // Determine source region index etc.
-  int i_cell = lowest_coord().cell;
-
-  // The source region is the spatial region index
-  int64_t sr = domain_->source_region_offsets_[i_cell] + cell_instance();
-
-  Position& centroid = domain_->source_regions_.centroid(sr);
-  Position midpoint = r() + u() * (distance / 2.0);
+  Position& centroid = srh.centroid();
+  Position midpoint = r + u() * (distance / 2.0);
 
   // Determine the local position of the midpoint and the ray origin
   // relative to the source region's centroid
@@ -646,9 +675,9 @@ void RandomRay::attenuate_flux_linear_source_void(
   // be no estimate of its centroid. We detect this by checking if it has
   // any accumulated volume. If its volume is zero, just use the midpoint
   // of the ray as the region's centroid.
-  if (domain_->source_regions_.volume_t(sr)) {
+  if (srh.volume_t()) {
     rm_local = midpoint - centroid;
-    r0_local = r() - centroid;
+    r0_local = r - centroid;
   } else {
     rm_local = {0.0, 0.0, 0.0};
     r0_local = -u() * 0.5 * distance;
@@ -659,7 +688,7 @@ void RandomRay::attenuate_flux_linear_source_void(
   // transport through a void region is greatly simplified. Here we
   // compute the updated flux moments.
   for (int g = 0; g < negroups_; g++) {
-    float spatial_source = domain_->source_regions_.source(sr, g);
+    float spatial_source = srh.external_source(g);
     float new_delta_psi = (angular_flux_[g] - spatial_source) * distance;
     float h1 = 0.5f;
     h1 = h1 * angular_flux_[g];
@@ -688,41 +717,41 @@ void RandomRay::attenuate_flux_linear_source_void(
       rm_local, u(), distance);
 
     // Aquire lock for source region
-    domain_->source_regions_.lock(sr).lock();
+    srh.lock();
 
     // Accumulate delta psi into new estimate of source region flux for
     // this iteration, and update flux momements
     for (int g = 0; g < negroups_; g++) {
-      domain_->source_regions_.scalar_flux_new(sr, g) +=
-        angular_flux_[g] * distance;
-      domain_->source_regions_.flux_moments_new(sr, g) += delta_moments_[g];
+      srh.scalar_flux_new(g) += angular_flux_[g] * distance;
+      srh.flux_moments_new(g) += delta_moments_[g];
     }
 
     // Accumulate the volume (ray segment distance), centroid, and spatial
     // momement estimates into the running totals for the iteration for this
     // source region. The centroid and spatial momements estimates are scaled by
     // the ray segment length as part of length averaging of the estimates.
-    domain_->source_regions_.volume(sr) += distance;
-    domain_->source_regions_.volume_sq(sr) += distance_2;
-    domain_->source_regions_.centroid_iteration(sr) += midpoint * distance;
+    srh.volume() += distance;
+    srh.volume_sq() += distance_2;
+    srh.centroid_iteration() += midpoint * distance;
     moment_matrix_estimate *= distance;
-    domain_->source_regions_.mom_matrix(sr) += moment_matrix_estimate;
+    srh.mom_matrix() += moment_matrix_estimate;
 
     // Tally valid position inside the source region (e.g., midpoint of
     // the ray) if not done already
-    if (!domain_->source_regions_.position_recorded(sr)) {
-      domain_->source_regions_.position(sr) = midpoint;
-      domain_->source_regions_.position_recorded(sr) = 1;
+    if (!srh.position_recorded()) {
+      srh.position() = midpoint;
+      srh.position_recorded() = 1;
     }
 
+    srh.n_hits() += 1;
+
     // Release lock
-    domain_->source_regions_.lock(sr).unlock();
+    srh.unlock();
   }
 
   // Add source to incoming angular flux, assuming void region
   for (int g = 0; g < negroups_; g++) {
-    angular_flux_[g] +=
-      domain_->source_regions_.external_source(sr, g) * distance;
+    angular_flux_[g] += srh.external_source(g) * distance;
   }
 }
 
@@ -738,7 +767,7 @@ void RandomRay::initialize_ray(uint64_t ray_id, FlatSourceDomain* domain)
   wgt() = 1.0;
 
   // set identifier for particle
-  id() = simulation::work_index[mpi::rank] + ray_id;
+  id() = ray_id;
 
   // generate source site using sample method
   SourceSite site;
@@ -775,8 +804,26 @@ void RandomRay::initialize_ray(uint64_t ray_id, FlatSourceDomain* domain)
   int i_cell = lowest_coord().cell;
   int64_t sr = domain_->source_region_offsets_[i_cell] + cell_instance();
 
-  for (int g = 0; g < negroups_; g++) {
-    angular_flux_[g] = domain_->source_regions_.source(sr, g);
+  SourceRegionHandle srh;
+  if (mesh_subdivision_enabled_) {
+    int mesh_idx = domain_->base_source_regions_.mesh(sr);
+    int mesh_bin;
+    if (mesh_idx == C_NONE) {
+      mesh_bin = 0;
+    } else {
+      Mesh* mesh = model::meshes[mesh_idx].get();
+      mesh_bin = mesh->get_bin(r());
+    }
+    srh =
+      domain_->get_subdivided_source_region_handle(sr, mesh_bin, r(), 0.0, u());
+  } else {
+    srh = domain_->source_regions_.get_source_region_handle(sr);
+  }
+
+  if (!srh.is_numerical_fp_artifact_) {
+    for (int g = 0; g < negroups_; g++) {
+      angular_flux_[g] = srh.source(g);
+    }
   }
 }
 
diff --git a/src/random_ray/random_ray_simulation.cpp b/src/random_ray/random_ray_simulation.cpp
index f1477c3fe..bf01d2f57 100644
--- a/src/random_ray/random_ray_simulation.cpp
+++ b/src/random_ray/random_ray_simulation.cpp
@@ -14,6 +14,7 @@
 #include "openmc/tallies/tally.h"
 #include "openmc/tallies/tally_scoring.h"
 #include "openmc/timer.h"
+#include "openmc/weight_windows.h"
 
 namespace openmc {
 
@@ -48,13 +49,17 @@ void openmc_run_random_ray()
 
   // Declare forward flux so that it can be saved for later adjoint simulation
   vector<double> forward_flux;
+  SourceRegionContainer forward_source_regions;
+  SourceRegionContainer forward_base_source_regions;
+  std::unordered_map<SourceRegionKey, int64_t, SourceRegionKey::HashFunctor>
+    forward_source_region_map;
 
   {
     // Initialize Random Ray Simulation Object
     RandomRaySimulation sim;
 
     // Initialize fixed sources, if present
-    sim.prepare_fixed_sources();
+    sim.apply_fixed_sources_and_mesh_domains();
 
     // Begin main simulation timer
     simulation::time_total.start();
@@ -77,12 +82,13 @@ void openmc_run_random_ray()
       forward_flux[i] *= source_normalization_factor;
     }
 
+    forward_source_regions = sim.domain()->source_regions_;
+    forward_source_region_map = sim.domain()->source_region_map_;
+    forward_base_source_regions = sim.domain()->base_source_regions_;
+
     // Finalize OpenMC
     openmc_simulation_finalize();
 
-    // Reduce variables across MPI ranks
-    sim.reduce_simulation_statistics();
-
     // Output all simulation results
     sim.output_simulation_results();
   }
@@ -107,7 +113,9 @@ void openmc_run_random_ray()
     RandomRaySimulation adjoint_sim;
 
     // Initialize adjoint fixed sources, if present
-    adjoint_sim.prepare_fixed_sources_adjoint(forward_flux);
+    adjoint_sim.prepare_fixed_sources_adjoint(forward_flux,
+      forward_source_regions, forward_base_source_regions,
+      forward_source_region_map);
 
     // Transpose scattering matrix
     adjoint_sim.domain()->transpose_scattering_matrix();
@@ -127,9 +135,6 @@ void openmc_run_random_ray()
     // Finalize OpenMC
     openmc_simulation_finalize();
 
-    // Reduce variables across MPI ranks
-    adjoint_sim.reduce_simulation_statistics();
-
     // Output all simulation results
     adjoint_sim.output_simulation_results();
   }
@@ -321,12 +326,36 @@ void validate_random_ray_inputs()
 #ifdef OPENMC_MPI
   if (mpi::n_procs > 1) {
     warning(
-      "Domain replication in random ray is supported, but suffers from poor "
-      "scaling of source all-reduce operations. Performance may severely "
-      "degrade beyond just a few MPI ranks. Domain decomposition may be "
-      "implemented in the future to provide efficient scaling.");
+      "MPI parallelism is not supported by the random ray solver. All work "
+      "will be performed by rank 0. Domain decomposition may be implemented in "
+      "the future to provide efficient MPI scaling.");
   }
 #endif
+
+  // Warn about instability resulting from linear sources in small regions
+  // when generating weight windows with FW-CADIS and an overlaid mesh.
+  ///////////////////////////////////////////////////////////////////
+  if (RandomRay::source_shape_ == RandomRaySourceShape::LINEAR &&
+      RandomRay::mesh_subdivision_enabled_ &&
+      variance_reduction::weight_windows.size() > 0) {
+    warning(
+      "Linear sources may result in negative fluxes in small source regions "
+      "generated by mesh subdivision. Negative sources may result in low "
+      "quality FW-CADIS weight windows. We recommend you use flat source mode "
+      "when generating weight windows with an overlaid mesh tally.");
+  }
+}
+
+void openmc_reset_random_ray()
+{
+  FlatSourceDomain::volume_estimator_ = RandomRayVolumeEstimator::HYBRID;
+  FlatSourceDomain::volume_normalized_flux_tallies_ = false;
+  FlatSourceDomain::adjoint_ = false;
+  FlatSourceDomain::mesh_domain_map_.clear();
+  RandomRay::ray_source_.reset();
+  RandomRay::source_shape_ = RandomRaySourceShape::FLAT;
+  RandomRay::mesh_subdivision_enabled_ = false;
+  RandomRay::sample_method_ = RandomRaySampleMethod::PRNG;
 }
 
 //==============================================================================
@@ -361,19 +390,29 @@ RandomRaySimulation::RandomRaySimulation()
   domain_->flatten_xs();
 }
 
-void RandomRaySimulation::prepare_fixed_sources()
+void RandomRaySimulation::apply_fixed_sources_and_mesh_domains()
 {
   if (settings::run_mode == RunMode::FIXED_SOURCE) {
     // Transfer external source user inputs onto random ray source regions
     domain_->convert_external_sources();
     domain_->count_external_source_regions();
   }
+  domain_->apply_meshes();
 }
 
 void RandomRaySimulation::prepare_fixed_sources_adjoint(
-  vector<double>& forward_flux)
+  vector<double>& forward_flux, SourceRegionContainer& forward_source_regions,
+  SourceRegionContainer& forward_base_source_regions,
+  std::unordered_map<SourceRegionKey, int64_t, SourceRegionKey::HashFunctor>&
+    forward_source_region_map)
 {
   if (settings::run_mode == RunMode::FIXED_SOURCE) {
+    if (RandomRay::mesh_subdivision_enabled_) {
+      domain_->source_regions_ = forward_source_regions;
+      domain_->source_region_map_ = forward_source_region_map;
+      domain_->base_source_regions_ = forward_base_source_regions;
+      domain_->source_regions_.adjoint_reset();
+    }
     domain_->set_adjoint_sources(forward_flux);
   }
 }
@@ -382,75 +421,93 @@ void RandomRaySimulation::simulate()
 {
   // Random ray power iteration loop
   while (simulation::current_batch < settings::n_batches) {
-
     // Initialize the current batch
     initialize_batch();
     initialize_generation();
 
-    // Reset total starting particle weight used for normalizing tallies
-    simulation::total_weight = 1.0;
+    // MPI not supported in random ray solver, so all work is done by rank 0
+    // TODO: Implement domain decomposition for MPI parallelism
+    if (mpi::master) {
 
-    // Update source term (scattering + fission)
-    domain_->update_neutron_source(k_eff_);
+      // Reset total starting particle weight used for normalizing tallies
+      simulation::total_weight = 1.0;
 
-    // Reset scalar fluxes, iteration volume tallies, and region hit flags to
-    // zero
-    domain_->batch_reset();
+      // Update source term (scattering + fission)
+      domain_->update_neutron_source(k_eff_);
 
-    // Start timer for transport
-    simulation::time_transport.start();
+      // Reset scalar fluxes, iteration volume tallies, and region hit flags to
+      // zero
+      domain_->batch_reset();
+
+      // At the beginning of the simulation, if mesh subvivision is in use, we
+      // need to swap the main source region container into the base container,
+      // as the main source region container will be used to hold the true
+      // subdivided source regions. The base container will therefore only
+      // contain the external source region information, the mesh indices,
+      // material properties, and initial guess values for the flux/source.
+      if (RandomRay::mesh_subdivision_enabled_ &&
+          simulation::current_batch == 1 && !FlatSourceDomain::adjoint_) {
+        domain_->prepare_base_source_regions();
+      }
+
+      // Start timer for transport
+      simulation::time_transport.start();
 
 // Transport sweep over all random rays for the iteration
 #pragma omp parallel for schedule(dynamic)                                     \
   reduction(+ : total_geometric_intersections_)
-    for (int i = 0; i < simulation::work_per_rank; i++) {
-      RandomRay ray(i, domain_.get());
-      total_geometric_intersections_ +=
-        ray.transport_history_based_single_ray();
-    }
+      for (int i = 0; i < settings::n_particles; i++) {
+        RandomRay ray(i, domain_.get());
+        total_geometric_intersections_ +=
+          ray.transport_history_based_single_ray();
+      }
 
-    simulation::time_transport.stop();
+      simulation::time_transport.stop();
 
-    // If using multiple MPI ranks, perform all reduce on all transport results
-    domain_->all_reduce_replicated_source_regions();
+      // If using mesh subdivision, add any newly discovered source regions
+      // to the main source region container.
+      if (RandomRay::mesh_subdivision_enabled_) {
+        domain_->finalize_discovered_source_regions();
+      }
 
-    // Normalize scalar flux and update volumes
-    domain_->normalize_scalar_flux_and_volumes(
-      settings::n_particles * RandomRay::distance_active_);
+      // Normalize scalar flux and update volumes
+      domain_->normalize_scalar_flux_and_volumes(
+        settings::n_particles * RandomRay::distance_active_);
 
-    // Add source to scalar flux, compute number of FSR hits
-    int64_t n_hits = domain_->add_source_to_scalar_flux();
+      // Add source to scalar flux, compute number of FSR hits
+      int64_t n_hits = domain_->add_source_to_scalar_flux();
 
-    if (settings::run_mode == RunMode::EIGENVALUE) {
-      // Compute random ray k-eff
-      k_eff_ = domain_->compute_k_eff(k_eff_);
+      if (settings::run_mode == RunMode::EIGENVALUE) {
+        // Compute random ray k-eff
+        k_eff_ = domain_->compute_k_eff(k_eff_);
 
-      // Store random ray k-eff into OpenMC's native k-eff variable
-      global_tally_tracklength = k_eff_;
-    }
+        // Store random ray k-eff into OpenMC's native k-eff variable
+        global_tally_tracklength = k_eff_;
+      }
 
-    // Execute all tallying tasks, if this is an active batch
-    if (simulation::current_batch > settings::n_inactive) {
+      // Execute all tallying tasks, if this is an active batch
+      if (simulation::current_batch > settings::n_inactive) {
 
-      // Add this iteration's scalar flux estimate to final accumulated estimate
-      domain_->accumulate_iteration_flux();
+        // Add this iteration's scalar flux estimate to final accumulated
+        // estimate
+        domain_->accumulate_iteration_flux();
 
-      if (mpi::master) {
         // Generate mapping between source regions and tallies
         if (!domain_->mapped_all_tallies_) {
           domain_->convert_source_regions_to_tallies();
         }
 
-        // Use above mapping to contribute FSR flux data to appropriate tallies
+        // Use above mapping to contribute FSR flux data to appropriate
+        // tallies
         domain_->random_ray_tally();
       }
-    }
 
-    // Set phi_old = phi_new
-    domain_->flux_swap();
+      // Set phi_old = phi_new
+      domain_->flux_swap();
 
-    // Check for any obvious insabilities/nans/infs
-    instability_check(n_hits, k_eff_, avg_miss_rate_);
+      // Check for any obvious insabilities/nans/infs
+      instability_check(n_hits, k_eff_, avg_miss_rate_);
+    } // End MPI master work
 
     // Finalize the current batch
     finalize_generation();
@@ -458,27 +515,13 @@ void RandomRaySimulation::simulate()
   } // End random ray power iteration loop
 }
 
-void RandomRaySimulation::reduce_simulation_statistics()
-{
-  // Reduce number of intersections
-#ifdef OPENMC_MPI
-  if (mpi::n_procs > 1) {
-    uint64_t total_geometric_intersections_reduced = 0;
-    MPI_Reduce(&total_geometric_intersections_,
-      &total_geometric_intersections_reduced, 1, MPI_UNSIGNED_LONG, MPI_SUM, 0,
-      mpi::intracomm);
-    total_geometric_intersections_ = total_geometric_intersections_reduced;
-  }
-#endif
-}
-
 void RandomRaySimulation::output_simulation_results() const
 {
   // Print random ray results
   if (mpi::master) {
     print_results_random_ray(total_geometric_intersections_,
       avg_miss_rate_ / settings::n_batches, negroups_,
-      domain_->n_source_regions_, domain_->n_external_source_regions_);
+      domain_->n_source_regions(), domain_->n_external_source_regions_);
     if (model::plots.size() > 0) {
       domain_->output_to_vtk();
     }
@@ -490,8 +533,8 @@ void RandomRaySimulation::output_simulation_results() const
 void RandomRaySimulation::instability_check(
   int64_t n_hits, double k_eff, double& avg_miss_rate) const
 {
-  double percent_missed = ((domain_->n_source_regions_ - n_hits) /
-                            static_cast<double>(domain_->n_source_regions_)) *
+  double percent_missed = ((domain_->n_source_regions() - n_hits) /
+                            static_cast<double>(domain_->n_source_regions())) *
                           100.0;
   avg_miss_rate += percent_missed;
 
diff --git a/src/random_ray/source_region.cpp b/src/random_ray/source_region.cpp
index 4ac86ea8c..6c0df0157 100644
--- a/src/random_ray/source_region.cpp
+++ b/src/random_ray/source_region.cpp
@@ -2,9 +2,36 @@
 
 #include "openmc/error.h"
 #include "openmc/message_passing.h"
+#include "openmc/simulation.h"
 
 namespace openmc {
 
+//==============================================================================
+// SourceRegionHandle implementation
+//==============================================================================
+SourceRegionHandle::SourceRegionHandle(SourceRegion& sr)
+  : negroups_(sr.scalar_flux_old_.size()), material_(&sr.material_),
+    is_small_(&sr.is_small_), n_hits_(&sr.n_hits_),
+    is_linear_(sr.source_gradients_.size() > 0), lock_(&sr.lock_),
+    volume_(&sr.volume_), volume_t_(&sr.volume_t_), volume_sq_(&sr.volume_sq_),
+    volume_sq_t_(&sr.volume_sq_t_), volume_naive_(&sr.volume_naive_),
+    position_recorded_(&sr.position_recorded_),
+    external_source_present_(&sr.external_source_present_),
+    position_(&sr.position_), centroid_(&sr.centroid_),
+    centroid_iteration_(&sr.centroid_iteration_), centroid_t_(&sr.centroid_t_),
+    mom_matrix_(&sr.mom_matrix_), mom_matrix_t_(&sr.mom_matrix_t_),
+    volume_task_(&sr.volume_task_), mesh_(&sr.mesh_),
+    parent_sr_(&sr.parent_sr_), scalar_flux_old_(sr.scalar_flux_old_.data()),
+    scalar_flux_new_(sr.scalar_flux_new_.data()), source_(sr.source_.data()),
+    external_source_(sr.external_source_.data()),
+    scalar_flux_final_(sr.scalar_flux_final_.data()),
+    source_gradients_(sr.source_gradients_.data()),
+    flux_moments_old_(sr.flux_moments_old_.data()),
+    flux_moments_new_(sr.flux_moments_new_.data()),
+    flux_moments_t_(sr.flux_moments_t_.data()),
+    tally_task_(sr.tally_task_.data())
+{}
+
 //==============================================================================
 // SourceRegion implementation
 //==============================================================================
@@ -25,7 +52,6 @@ SourceRegion::SourceRegion(int negroups, bool is_linear)
   scalar_flux_final_.assign(negroups, 0.0);
 
   tally_task_.resize(negroups);
-
   if (is_linear) {
     source_gradients_.resize(negroups);
     flux_moments_old_.resize(negroups);
@@ -34,15 +60,37 @@ SourceRegion::SourceRegion(int negroups, bool is_linear)
   }
 }
 
+SourceRegion::SourceRegion(const SourceRegionHandle& handle, int64_t parent_sr)
+  : SourceRegion(handle.negroups_, handle.is_linear_)
+{
+  material_ = handle.material();
+  mesh_ = handle.mesh();
+  parent_sr_ = parent_sr;
+  for (int g = 0; g < scalar_flux_new_.size(); g++) {
+    scalar_flux_old_[g] = handle.scalar_flux_old(g);
+    source_[g] = handle.source(g);
+  }
+
+  if (settings::run_mode == RunMode::FIXED_SOURCE) {
+    external_source_present_ = handle.external_source_present();
+    for (int g = 0; g < scalar_flux_new_.size(); g++) {
+      external_source_[g] = handle.external_source(g);
+    }
+  }
+}
+
 //==============================================================================
 // SourceRegionContainer implementation
 //==============================================================================
+
 void SourceRegionContainer::push_back(const SourceRegion& sr)
 {
   n_source_regions_++;
 
   // Scalar fields
   material_.push_back(sr.material_);
+  is_small_.push_back(sr.is_small_);
+  n_hits_.push_back(sr.n_hits_);
   lock_.push_back(sr.lock_);
   volume_.push_back(sr.volume_);
   volume_t_.push_back(sr.volume_t_);
@@ -53,6 +101,8 @@ void SourceRegionContainer::push_back(const SourceRegion& sr)
   external_source_present_.push_back(sr.external_source_present_);
   position_.push_back(sr.position_);
   volume_task_.push_back(sr.volume_task_);
+  mesh_.push_back(sr.mesh_);
+  parent_sr_.push_back(sr.parent_sr_);
 
   // Only store these fields if is_linear_ is true
   if (is_linear_) {
@@ -92,6 +142,8 @@ void SourceRegionContainer::assign(
   // Clear existing data
   n_source_regions_ = 0;
   material_.clear();
+  is_small_.clear();
+  n_hits_.clear();
   lock_.clear();
   volume_.clear();
   volume_t_.clear();
@@ -101,6 +153,8 @@ void SourceRegionContainer::assign(
   position_recorded_.clear();
   external_source_present_.clear();
   position_.clear();
+  mesh_.clear();
+  parent_sr_.clear();
 
   if (is_linear_) {
     centroid_.clear();
@@ -140,103 +194,88 @@ void SourceRegionContainer::flux_swap()
   }
 }
 
-void SourceRegionContainer::mpi_sync_ranks(bool reduce_position)
+SourceRegionHandle SourceRegionContainer::get_source_region_handle(int64_t sr)
 {
-#ifdef OPENMC_MPI
+  SourceRegionHandle handle;
+  handle.negroups_ = negroups();
+  handle.material_ = &material(sr);
+  handle.is_small_ = &is_small(sr);
+  handle.n_hits_ = &n_hits(sr);
+  handle.is_linear_ = is_linear();
+  handle.lock_ = &lock(sr);
+  handle.volume_ = &volume(sr);
+  handle.volume_t_ = &volume_t(sr);
+  handle.volume_sq_ = &volume_sq(sr);
+  handle.volume_sq_t_ = &volume_sq_t(sr);
+  handle.volume_naive_ = &volume_naive(sr);
+  handle.position_recorded_ = &position_recorded(sr);
+  handle.external_source_present_ = &external_source_present(sr);
+  handle.position_ = &position(sr);
+  handle.volume_task_ = &volume_task(sr);
+  handle.mesh_ = &mesh(sr);
+  handle.parent_sr_ = &parent_sr(sr);
+  handle.scalar_flux_old_ = &scalar_flux_old(sr, 0);
+  handle.scalar_flux_new_ = &scalar_flux_new(sr, 0);
+  handle.source_ = &source(sr, 0);
+  handle.external_source_ = &external_source(sr, 0);
+  handle.scalar_flux_final_ = &scalar_flux_final(sr, 0);
+  handle.tally_task_ = &tally_task(sr, 0);
 
-  // The "position_recorded" variable needs to be allreduced (and maxed),
-  // as whether or not a cell was hit will affect some decisions in how the
-  // source is calculated in the next iteration so as to avoid dividing
-  // by zero. We take the max rather than the sum as the hit values are
-  // expected to be zero or 1.
-  MPI_Allreduce(MPI_IN_PLACE, position_recorded_.data(), 1, MPI_INT, MPI_MAX,
-    mpi::intracomm);
-
-  // The position variable is more complicated to reduce than the others,
-  // as we do not want the sum of all positions in each cell, rather, we
-  // want to just pick any single valid position. Thus, we perform a gather
-  // and then pick the first valid position we find for all source regions
-  // that have had a position recorded. This operation does not need to
-  // be broadcast back to other ranks, as this value is only used for the
-  // tally conversion operation, which is only performed on the master rank.
-  // While this is expensive, it only needs to be done for active batches,
-  // and only if we have not mapped all the tallies yet. Once tallies are
-  // fully mapped, then the position vector is fully populated, so this
-  // operation can be skipped.
-
-  // Then, we perform the gather of position data, if needed
-  if (reduce_position) {
-
-    // Master rank will gather results and pick valid positions
-    if (mpi::master) {
-      // Initialize temporary vector for receiving positions
-      vector<vector<Position>> all_position;
-      all_position.resize(mpi::n_procs);
-      for (int i = 0; i < mpi::n_procs; i++) {
-        all_position[i].resize(n_source_regions_);
-      }
-
-      // Copy master rank data into gathered vector for convenience
-      all_position[0] = position_;
-
-      // Receive all data into gather vector
-      for (int i = 1; i < mpi::n_procs; i++) {
-        MPI_Recv(all_position[i].data(), n_source_regions_ * 3, MPI_DOUBLE, i,
-          0, mpi::intracomm, MPI_STATUS_IGNORE);
-      }
-
-      // Scan through gathered data and pick first valid cell posiiton
-      for (int64_t sr = 0; sr < n_source_regions_; sr++) {
-        if (position_recorded_[sr] == 1) {
-          for (int i = 0; i < mpi::n_procs; i++) {
-            if (all_position[i][sr].x != 0.0 || all_position[i][sr].y != 0.0 ||
-                all_position[i][sr].z != 0.0) {
-              position_[sr] = all_position[i][sr];
-              break;
-            }
-          }
-        }
-      }
-    } else {
-      // Other ranks just send in their data
-      MPI_Send(position_.data(), n_source_regions_ * 3, MPI_DOUBLE, 0, 0,
-        mpi::intracomm);
-    }
+  if (handle.is_linear_) {
+    handle.centroid_ = &centroid(sr);
+    handle.centroid_iteration_ = &centroid_iteration(sr);
+    handle.centroid_t_ = &centroid_t(sr);
+    handle.mom_matrix_ = &mom_matrix(sr);
+    handle.mom_matrix_t_ = &mom_matrix_t(sr);
+    handle.source_gradients_ = &source_gradients(sr, 0);
+    handle.flux_moments_old_ = &flux_moments_old(sr, 0);
+    handle.flux_moments_new_ = &flux_moments_new(sr, 0);
+    handle.flux_moments_t_ = &flux_moments_t(sr, 0);
   }
 
-  // For the rest of the source region data, we simply perform an all reduce,
-  // as these values will be needed on all ranks for transport during the
-  // next iteration.
-  MPI_Allreduce(MPI_IN_PLACE, volume_.data(), n_source_regions_, MPI_DOUBLE,
-    MPI_SUM, mpi::intracomm);
-  MPI_Allreduce(MPI_IN_PLACE, volume_sq_.data(), n_source_regions_, MPI_DOUBLE,
-    MPI_SUM, mpi::intracomm);
-
-  MPI_Allreduce(MPI_IN_PLACE, scalar_flux_new_.data(),
-    n_source_regions_ * negroups_, MPI_DOUBLE, MPI_SUM, mpi::intracomm);
-
-  if (is_linear_) {
-    // We are going to assume we can safely cast Position, MomentArray,
-    // and MomentMatrix to contiguous arrays of doubles for the MPI
-    // allreduce operation. This is a safe assumption as typically
-    // compilers will at most pad to 8 byte boundaries. If a new FP32
-    // MomentArray type is introduced, then there will likely be padding, in
-    // which case this function will need to become more complex.
-    if (sizeof(MomentArray) != 3 * sizeof(double) ||
-        sizeof(MomentMatrix) != 6 * sizeof(double)) {
-      fatal_error(
-        "Unexpected buffer padding in linear source domain reduction.");
-    }
-
-    MPI_Allreduce(MPI_IN_PLACE, static_cast<void*>(flux_moments_new_.data()),
-      n_source_regions_ * negroups_ * 3, MPI_DOUBLE, MPI_SUM, mpi::intracomm);
-    MPI_Allreduce(MPI_IN_PLACE, static_cast<void*>(mom_matrix_.data()),
-      n_source_regions_ * 6, MPI_DOUBLE, MPI_SUM, mpi::intracomm);
-    MPI_Allreduce(MPI_IN_PLACE, static_cast<void*>(centroid_iteration_.data()),
-      n_source_regions_ * 3, MPI_DOUBLE, MPI_SUM, mpi::intracomm);
-  }
-
-#endif
+  return handle;
 }
 
-} // namespace openmc
\ No newline at end of file
+void SourceRegionContainer::adjoint_reset()
+{
+  std::fill(n_hits_.begin(), n_hits_.end(), 0);
+  std::fill(volume_.begin(), volume_.end(), 0.0);
+  std::fill(volume_t_.begin(), volume_t_.end(), 0.0);
+  std::fill(volume_sq_.begin(), volume_sq_.end(), 0.0);
+  std::fill(volume_sq_t_.begin(), volume_sq_t_.end(), 0.0);
+  std::fill(volume_naive_.begin(), volume_naive_.end(), 0.0);
+  std::fill(
+    external_source_present_.begin(), external_source_present_.end(), 0);
+  std::fill(external_source_.begin(), external_source_.end(), 0.0);
+  std::fill(centroid_.begin(), centroid_.end(), Position {0.0, 0.0, 0.0});
+  std::fill(centroid_iteration_.begin(), centroid_iteration_.end(),
+    Position {0.0, 0.0, 0.0});
+  std::fill(centroid_t_.begin(), centroid_t_.end(), Position {0.0, 0.0, 0.0});
+  std::fill(mom_matrix_.begin(), mom_matrix_.end(),
+    MomentMatrix {0.0, 0.0, 0.0, 0.0, 0.0, 0.0});
+  std::fill(mom_matrix_t_.begin(), mom_matrix_t_.end(),
+    MomentMatrix {0.0, 0.0, 0.0, 0.0, 0.0, 0.0});
+  for (auto& task_set : volume_task_) {
+    task_set.clear();
+  }
+  std::fill(scalar_flux_old_.begin(), scalar_flux_old_.end(), 0.0);
+  std::fill(scalar_flux_new_.begin(), scalar_flux_new_.end(), 0.0);
+  std::fill(scalar_flux_final_.begin(), scalar_flux_final_.end(), 0.0);
+  std::fill(source_.begin(), source_.end(), 0.0f);
+  std::fill(external_source_.begin(), external_source_.end(), 0.0f);
+
+  std::fill(source_gradients_.begin(), source_gradients_.end(),
+    MomentArray {0.0, 0.0, 0.0});
+  std::fill(flux_moments_old_.begin(), flux_moments_old_.end(),
+    MomentArray {0.0, 0.0, 0.0});
+  std::fill(flux_moments_new_.begin(), flux_moments_new_.end(),
+    MomentArray {0.0, 0.0, 0.0});
+  std::fill(flux_moments_t_.begin(), flux_moments_t_.end(),
+    MomentArray {0.0, 0.0, 0.0});
+
+  for (auto& task_set : tally_task_) {
+    task_set.clear();
+  }
+}
+
+} // namespace openmc
diff --git a/src/settings.cpp b/src/settings.cpp
index 67fdfea66..49b6590ec 100644
--- a/src/settings.cpp
+++ b/src/settings.cpp
@@ -1,4 +1,5 @@
 #include "openmc/settings.h"
+#include "openmc/random_ray/flat_source_domain.h"
 
 #include <cmath>  // for ceil, pow
 #include <limits> // for numeric_limits
@@ -319,6 +320,31 @@ void get_run_parameters(pugi::xml_node node_base)
         fatal_error("Unrecognized sample method: " + temp_str);
       }
     }
+    if (check_for_node(random_ray_node, "source_region_meshes")) {
+      pugi::xml_node node_source_region_meshes =
+        random_ray_node.child("source_region_meshes");
+      for (pugi::xml_node node_mesh :
+        node_source_region_meshes.children("mesh")) {
+        int mesh_id = std::stoi(node_mesh.attribute("id").value());
+        for (pugi::xml_node node_domain : node_mesh.children("domain")) {
+          int domain_id = std::stoi(node_domain.attribute("id").value());
+          std::string domain_type = node_domain.attribute("type").value();
+          Source::DomainType type;
+          if (domain_type == "material") {
+            type = Source::DomainType::MATERIAL;
+          } else if (domain_type == "cell") {
+            type = Source::DomainType::CELL;
+          } else if (domain_type == "universe") {
+            type = Source::DomainType::UNIVERSE;
+          } else {
+            throw std::runtime_error("Unknown domain type: " + domain_type);
+          }
+          FlatSourceDomain::mesh_domain_map_[mesh_id].emplace_back(
+            type, domain_id);
+          RandomRay::mesh_subdivision_enabled_ = true;
+        }
+      }
+    }
   }
 }
 
diff --git a/src/weight_windows.cpp b/src/weight_windows.cpp
index 9daf21f75..0efa5a6ae 100644
--- a/src/weight_windows.cpp
+++ b/src/weight_windows.cpp
@@ -657,11 +657,18 @@ void WeightWindows::update_weights(const Tally* tally, const std::string& value,
       }
     }
 
-    xt::noalias(new_bounds) = 1.0 / new_bounds;
-
+    // We take the inverse, but are careful not to divide by zero e.g. if some
+    // mesh bins are not reachable in the physical geometry.
+    xt::noalias(new_bounds) =
+      xt::where(xt::not_equal(new_bounds, 0.0), 1.0 / new_bounds, 0.0);
     auto max_val = xt::amax(new_bounds)();
-
     xt::noalias(new_bounds) = new_bounds / (2.0 * max_val);
+
+    // For bins that were missed, we use the minimum weight window value. This
+    // shouldn't matter except for plotting.
+    auto min_val = xt::amin(new_bounds)();
+    xt::noalias(new_bounds) =
+      xt::where(xt::not_equal(new_bounds, 0.0), new_bounds, min_val);
   }
 
   // make sure that values where the mean is zero are set s.t. the weight window
diff --git a/tests/regression_tests/random_ray_fixed_source_mesh/__init__.py b/tests/regression_tests/random_ray_fixed_source_mesh/__init__.py
new file mode 100644
index 000000000..e69de29bb
diff --git a/tests/regression_tests/random_ray_fixed_source_mesh/flat/inputs_true.dat b/tests/regression_tests/random_ray_fixed_source_mesh/flat/inputs_true.dat
new file mode 100644
index 000000000..67c2ffc15
--- /dev/null
+++ b/tests/regression_tests/random_ray_fixed_source_mesh/flat/inputs_true.dat
@@ -0,0 +1,271 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <cross_sections>mgxs.h5</cross_sections>
+    <material id="1" name="source">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="source"/>
+    </material>
+    <material id="2" name="void">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="void"/>
+    </material>
+    <material id="3" name="absorber">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="absorber"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" name="infinite source region" universe="1"/>
+    <cell id="2" material="2" name="infinite void region" universe="2"/>
+    <cell id="3" material="3" name="infinite absorber region" universe="3"/>
+    <cell fill="4" id="4" universe="5"/>
+    <cell fill="5" id="5" name="full domain" region="1 -2 3 -4 5 -6" universe="6"/>
+    <lattice id="4">
+      <pitch>2.5 2.5 2.5</pitch>
+      <dimension>12 12 12</dimension>
+      <lower_left>0.0 0.0 0.0</lower_left>
+      <universes>
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+1 1 2 2 2 2 2 2 2 2 3 3 
+1 1 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+1 1 2 2 2 2 2 2 2 2 3 3 
+1 1 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 </universes>
+    </lattice>
+    <surface boundary="reflective" coeffs="0.0" id="1" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="30.0" id="2" type="x-plane"/>
+    <surface boundary="reflective" coeffs="0.0" id="3" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="30.0" id="4" type="y-plane"/>
+    <surface boundary="reflective" coeffs="0.0" id="5" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="30.0" id="6" type="z-plane"/>
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>90</particles>
+    <batches>30</batches>
+    <inactive>15</inactive>
+    <source particle="neutron" strength="3.14" type="independent">
+      <energy type="discrete">
+        <parameters>100.0 1.0</parameters>
+      </energy>
+      <constraints>
+        <domain_type>universe</domain_type>
+        <domain_ids>1</domain_ids>
+      </constraints>
+    </source>
+    <energy_mode>multi-group</energy_mode>
+    <random_ray>
+      <distance_active>500.0</distance_active>
+      <distance_inactive>100.0</distance_inactive>
+      <source particle="neutron" strength="1.0" type="independent">
+        <space type="box">
+          <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
+        </space>
+      </source>
+      <volume_normalized_flux_tallies>True</volume_normalized_flux_tallies>
+      <source_region_meshes>
+        <mesh id="1">
+          <domain id="1" type="universe"/>
+        </mesh>
+        <mesh id="2">
+          <domain id="2" type="cell"/>
+        </mesh>
+        <mesh id="3">
+          <domain id="3" type="material"/>
+        </mesh>
+      </source_region_meshes>
+      <source_shape>flat</source_shape>
+    </random_ray>
+    <mesh id="1">
+      <dimension>24 24 24</dimension>
+      <lower_left>0.0 0.0 0.0</lower_left>
+      <upper_right>30.0 30.0 30.0</upper_right>
+    </mesh>
+    <mesh id="2">
+      <dimension>36 36 36</dimension>
+      <lower_left>0.0 0.0 0.0</lower_left>
+      <upper_right>30.0 30.0 30.0</upper_right>
+    </mesh>
+    <mesh id="3">
+      <dimension>30 30 30</dimension>
+      <lower_left>0.0 0.0 0.0</lower_left>
+      <upper_right>30.0 30.0 30.0</upper_right>
+    </mesh>
+  </settings>
+  <tallies>
+    <filter id="3" type="material">
+      <bins>1</bins>
+    </filter>
+    <filter id="2" type="material">
+      <bins>2</bins>
+    </filter>
+    <filter id="1" type="material">
+      <bins>3</bins>
+    </filter>
+    <tally id="3" name="Source Tally">
+      <filters>3</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="2" name="Void Tally">
+      <filters>2</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="1" name="Absorber Tally">
+      <filters>1</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/random_ray_fixed_source_mesh/flat/results_true.dat b/tests/regression_tests/random_ray_fixed_source_mesh/flat/results_true.dat
new file mode 100644
index 000000000..0b0eaa447
--- /dev/null
+++ b/tests/regression_tests/random_ray_fixed_source_mesh/flat/results_true.dat
@@ -0,0 +1,9 @@
+tally 1:
+1.750296E+00
+2.051829E-01
+tally 2:
+8.045199E-02
+4.384408E-04
+tally 3:
+5.216828E-03
+1.840861E-06
diff --git a/tests/regression_tests/random_ray_fixed_source_mesh/linear/inputs_true.dat b/tests/regression_tests/random_ray_fixed_source_mesh/linear/inputs_true.dat
new file mode 100644
index 000000000..10b7c74f1
--- /dev/null
+++ b/tests/regression_tests/random_ray_fixed_source_mesh/linear/inputs_true.dat
@@ -0,0 +1,271 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <cross_sections>mgxs.h5</cross_sections>
+    <material id="1" name="source">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="source"/>
+    </material>
+    <material id="2" name="void">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="void"/>
+    </material>
+    <material id="3" name="absorber">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="absorber"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" name="infinite source region" universe="1"/>
+    <cell id="2" material="2" name="infinite void region" universe="2"/>
+    <cell id="3" material="3" name="infinite absorber region" universe="3"/>
+    <cell fill="4" id="4" universe="5"/>
+    <cell fill="5" id="5" name="full domain" region="1 -2 3 -4 5 -6" universe="6"/>
+    <lattice id="4">
+      <pitch>2.5 2.5 2.5</pitch>
+      <dimension>12 12 12</dimension>
+      <lower_left>0.0 0.0 0.0</lower_left>
+      <universes>
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+1 1 2 2 2 2 2 2 2 2 3 3 
+1 1 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+1 1 2 2 2 2 2 2 2 2 3 3 
+1 1 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 </universes>
+    </lattice>
+    <surface boundary="reflective" coeffs="0.0" id="1" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="30.0" id="2" type="x-plane"/>
+    <surface boundary="reflective" coeffs="0.0" id="3" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="30.0" id="4" type="y-plane"/>
+    <surface boundary="reflective" coeffs="0.0" id="5" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="30.0" id="6" type="z-plane"/>
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>90</particles>
+    <batches>30</batches>
+    <inactive>15</inactive>
+    <source particle="neutron" strength="3.14" type="independent">
+      <energy type="discrete">
+        <parameters>100.0 1.0</parameters>
+      </energy>
+      <constraints>
+        <domain_type>universe</domain_type>
+        <domain_ids>1</domain_ids>
+      </constraints>
+    </source>
+    <energy_mode>multi-group</energy_mode>
+    <random_ray>
+      <distance_active>500.0</distance_active>
+      <distance_inactive>100.0</distance_inactive>
+      <source particle="neutron" strength="1.0" type="independent">
+        <space type="box">
+          <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
+        </space>
+      </source>
+      <volume_normalized_flux_tallies>True</volume_normalized_flux_tallies>
+      <source_region_meshes>
+        <mesh id="1">
+          <domain id="1" type="universe"/>
+        </mesh>
+        <mesh id="2">
+          <domain id="2" type="cell"/>
+        </mesh>
+        <mesh id="3">
+          <domain id="3" type="material"/>
+        </mesh>
+      </source_region_meshes>
+      <source_shape>linear</source_shape>
+    </random_ray>
+    <mesh id="1">
+      <dimension>24 24 24</dimension>
+      <lower_left>0.0 0.0 0.0</lower_left>
+      <upper_right>30.0 30.0 30.0</upper_right>
+    </mesh>
+    <mesh id="2">
+      <dimension>36 36 36</dimension>
+      <lower_left>0.0 0.0 0.0</lower_left>
+      <upper_right>30.0 30.0 30.0</upper_right>
+    </mesh>
+    <mesh id="3">
+      <dimension>30 30 30</dimension>
+      <lower_left>0.0 0.0 0.0</lower_left>
+      <upper_right>30.0 30.0 30.0</upper_right>
+    </mesh>
+  </settings>
+  <tallies>
+    <filter id="3" type="material">
+      <bins>1</bins>
+    </filter>
+    <filter id="2" type="material">
+      <bins>2</bins>
+    </filter>
+    <filter id="1" type="material">
+      <bins>3</bins>
+    </filter>
+    <tally id="3" name="Source Tally">
+      <filters>3</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="2" name="Void Tally">
+      <filters>2</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="1" name="Absorber Tally">
+      <filters>1</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/random_ray_fixed_source_mesh/linear/results_true.dat b/tests/regression_tests/random_ray_fixed_source_mesh/linear/results_true.dat
new file mode 100644
index 000000000..23754a157
--- /dev/null
+++ b/tests/regression_tests/random_ray_fixed_source_mesh/linear/results_true.dat
@@ -0,0 +1,9 @@
+tally 1:
+1.780361E+00
+2.137912E-01
+tally 2:
+8.230400E-02
+4.596391E-04
+tally 3:
+5.207797E-03
+1.834531E-06
diff --git a/tests/regression_tests/random_ray_fixed_source_mesh/test.py b/tests/regression_tests/random_ray_fixed_source_mesh/test.py
new file mode 100644
index 000000000..0b93b2a7a
--- /dev/null
+++ b/tests/regression_tests/random_ray_fixed_source_mesh/test.py
@@ -0,0 +1,53 @@
+import os
+
+import openmc
+from openmc.examples import random_ray_three_region_cube
+from openmc.utility_funcs import change_directory
+import pytest
+
+from tests.testing_harness import TolerantPyAPITestHarness
+
+
+class MGXSTestHarness(TolerantPyAPITestHarness):
+    def _cleanup(self):
+        super()._cleanup()
+        f = 'mgxs.h5'
+        if os.path.exists(f):
+            os.remove(f)
+
+
+def make_mesh(dim):
+    width = 30.0
+    mesh = openmc.RegularMesh()
+    mesh.dimension = (dim, dim, dim)
+    mesh.lower_left = (0.0, 0.0, 0.0)
+    mesh.upper_right = (width, width, width)
+    return mesh
+
+
+@pytest.mark.parametrize("shape", ["flat", "linear"])
+def test_random_ray_fixed_source_mesh(shape):
+    with change_directory(shape):
+        openmc.reset_auto_ids()
+        model = random_ray_three_region_cube()
+
+        # We will apply three different mesh resolutions to three different domain types
+        source_universe = model.geometry.get_universes_by_name('source universe')[0]
+        void_cell = model.geometry.get_cells_by_name('infinite void region')[0]
+        absorber_mat = model.geometry.get_materials_by_name('absorber')[0]
+
+        model.settings.random_ray['source_region_meshes'] = [
+            (make_mesh(24), [source_universe]),
+            (make_mesh(36), [void_cell]),
+            (make_mesh(30), [absorber_mat])
+        ]
+
+        # We also test flat/linear source shapes to ensure they are both
+        # working correctly with the mesh overlay logic
+        model.settings.random_ray['source_shape'] = shape
+
+        model.settings.inactive = 15
+        model.settings.batches = 30
+
+        harness = MGXSTestHarness('statepoint.30.h5', model)
+        harness.main()
diff --git a/tests/regression_tests/random_ray_k_eff_mesh/__init__.py b/tests/regression_tests/random_ray_k_eff_mesh/__init__.py
new file mode 100644
index 000000000..e69de29bb
diff --git a/tests/regression_tests/random_ray_k_eff_mesh/inputs_true.dat b/tests/regression_tests/random_ray_k_eff_mesh/inputs_true.dat
new file mode 100644
index 000000000..cdc717198
--- /dev/null
+++ b/tests/regression_tests/random_ray_k_eff_mesh/inputs_true.dat
@@ -0,0 +1,119 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <cross_sections>mgxs.h5</cross_sections>
+    <material id="1" name="UO2 fuel">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="UO2"/>
+    </material>
+    <material id="2" name="Water">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="LWTR"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" name="fuel inner a" region="-2" universe="1"/>
+    <cell id="2" material="1" name="fuel inner b" region="2 -3" universe="1"/>
+    <cell id="3" material="1" name="fuel inner c" region="3 -1" universe="1"/>
+    <cell id="4" material="2" name="moderator inner a" region="1 -4" universe="1"/>
+    <cell id="5" material="2" name="moderator outer b" region="4 -5" universe="1"/>
+    <cell id="6" material="2" name="moderator outer c" region="5" universe="1"/>
+    <cell fill="1" id="7" name="azimuthal_cell_0" region="6 -7" universe="2"/>
+    <cell fill="1" id="8" name="azimuthal_cell_1" region="7 -8" universe="2"/>
+    <cell fill="1" id="9" name="azimuthal_cell_2" region="8 -9" universe="2"/>
+    <cell fill="1" id="10" name="azimuthal_cell_3" region="9 -10" universe="2"/>
+    <cell fill="1" id="11" name="azimuthal_cell_4" region="10 -11" universe="2"/>
+    <cell fill="1" id="12" name="azimuthal_cell_5" region="11 -12" universe="2"/>
+    <cell fill="1" id="13" name="azimuthal_cell_6" region="12 -13" universe="2"/>
+    <cell fill="1" id="14" name="azimuthal_cell_7" region="13 -6" universe="2"/>
+    <cell id="15" material="2" name="moderator infinite" universe="3"/>
+    <cell fill="4" id="16" universe="5"/>
+    <cell fill="6" id="17" name="assembly" region="14 -15 16 -17" universe="7"/>
+    <lattice id="4">
+      <pitch>0.126 0.126</pitch>
+      <dimension>10 10</dimension>
+      <lower_left>-0.63 -0.63</lower_left>
+      <universes>
+3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 </universes>
+    </lattice>
+    <lattice id="6">
+      <pitch>1.26 1.26</pitch>
+      <dimension>2 2</dimension>
+      <lower_left>-1.26 -1.26</lower_left>
+      <universes>
+2 2 
+2 5 </universes>
+    </lattice>
+    <surface coeffs="0.0 0.0 0.54" id="1" name="Fuel OR" type="z-cylinder"/>
+    <surface coeffs="0.0 0.0 0.33" id="2" name="inner ring a" type="z-cylinder"/>
+    <surface coeffs="0.0 0.0 0.45" id="3" name="inner ring b" type="z-cylinder"/>
+    <surface coeffs="0.0 0.0 0.6" id="4" name="outer ring a" type="z-cylinder"/>
+    <surface coeffs="0.0 0.0 0.69" id="5" name="outer ring b" type="z-cylinder"/>
+    <surface coeffs="-0.0 1.0 0 0" id="6" type="plane"/>
+    <surface coeffs="-0.7071067811865475 0.7071067811865476 0 0" id="7" type="plane"/>
+    <surface coeffs="-1.0 6.123233995736766e-17 0 0" id="8" type="plane"/>
+    <surface coeffs="-0.7071067811865476 -0.7071067811865475 0 0" id="9" type="plane"/>
+    <surface coeffs="-1.2246467991473532e-16 -1.0 0 0" id="10" type="plane"/>
+    <surface coeffs="0.7071067811865475 -0.7071067811865477 0 0" id="11" type="plane"/>
+    <surface coeffs="1.0 -1.8369701987210297e-16 0 0" id="12" type="plane"/>
+    <surface coeffs="0.7071067811865477 0.7071067811865474 0 0" id="13" type="plane"/>
+    <surface boundary="reflective" coeffs="-1.26" id="14" name="minimum x" type="x-plane"/>
+    <surface boundary="reflective" coeffs="1.26" id="15" name="maximum x" type="x-plane"/>
+    <surface boundary="reflective" coeffs="-1.26" id="16" name="minimum y" type="y-plane"/>
+    <surface boundary="reflective" coeffs="1.26" id="17" name="maximum y" type="y-plane"/>
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>10</batches>
+    <inactive>5</inactive>
+    <energy_mode>multi-group</energy_mode>
+    <random_ray>
+      <distance_active>100.0</distance_active>
+      <distance_inactive>20.0</distance_inactive>
+      <source particle="neutron" strength="1.0" type="independent">
+        <space type="box">
+          <parameters>-1.26 -1.26 -1 1.26 1.26 1</parameters>
+        </space>
+      </source>
+      <volume_normalized_flux_tallies>True</volume_normalized_flux_tallies>
+      <source_region_meshes>
+        <mesh id="2">
+          <domain id="7" type="universe"/>
+        </mesh>
+      </source_region_meshes>
+    </random_ray>
+    <mesh id="2">
+      <dimension>40 40</dimension>
+      <lower_left>-1.26 -1.26</lower_left>
+      <upper_right>1.26 1.26</upper_right>
+    </mesh>
+  </settings>
+  <tallies>
+    <mesh id="1">
+      <dimension>2 2</dimension>
+      <lower_left>-1.26 -1.26</lower_left>
+      <upper_right>1.26 1.26</upper_right>
+    </mesh>
+    <filter id="1" type="mesh">
+      <bins>1</bins>
+    </filter>
+    <filter id="2" type="energy">
+      <bins>1e-05 0.0635 10.0 100.0 1000.0 500000.0 1000000.0 20000000.0</bins>
+    </filter>
+    <tally id="1" name="Mesh tally">
+      <filters>1 2</filters>
+      <scores>flux fission nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/random_ray_k_eff_mesh/results_true.dat b/tests/regression_tests/random_ray_k_eff_mesh/results_true.dat
new file mode 100644
index 000000000..535db3b55
--- /dev/null
+++ b/tests/regression_tests/random_ray_k_eff_mesh/results_true.dat
@@ -0,0 +1,171 @@
+k-combined:
+8.379203E-01 8.057199E-03
+tally 1:
+5.080171E+00
+5.167984E+00
+1.880341E+00
+7.079266E-01
+4.576373E+00
+4.193319E+00
+2.859914E+00
+1.638769E+00
+4.243332E-01
+3.607732E-02
+1.032742E+00
+2.136998E-01
+1.692643E+00
+5.794069E-01
+5.445214E-02
+5.995212E-04
+1.325256E-01
+3.551193E-03
+2.372336E+00
+1.147031E+00
+7.807378E-02
+1.242019E-03
+1.900160E-01
+7.356955E-03
+7.135636E+00
+1.035026E+01
+8.273225E-02
+1.392069E-03
+2.013562E-01
+8.245961E-03
+2.044034E+01
+8.394042E+01
+3.100485E-02
+1.932097E-04
+7.671933E-02
+1.182985E-03
+1.313652E+01
+3.451847E+01
+1.764978E-01
+6.230420E-03
+4.909196E-01
+4.820140E-02
+7.585874E+00
+1.150936E+01
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+3.386790E+00
+2.295327E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+1.820058E+00
+6.729238E-01
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+2.694013E+00
+1.481363E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+7.453818E+00
+1.128202E+01
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+1.823642E+01
+6.682239E+01
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+1.137903E+01
+2.590265E+01
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+4.589529E+00
+4.219985E+00
+1.712446E+00
+5.873675E-01
+4.167750E+00
+3.479202E+00
+2.728285E+00
+1.492132E+00
+4.104063E-01
+3.377132E-02
+9.988468E-01
+2.000404E-01
+1.660506E+00
+5.567967E-01
+5.427391E-02
+5.944708E-04
+1.320918E-01
+3.521277E-03
+2.305889E+00
+1.082691E+00
+7.695793E-02
+1.205644E-03
+1.873002E-01
+7.141490E-03
+7.076637E+00
+1.017946E+01
+8.323139E-02
+1.408687E-03
+2.025710E-01
+8.344398E-03
+2.095897E+01
+8.825741E+01
+3.236513E-02
+2.104220E-04
+8.008525E-02
+1.288373E-03
+1.358006E+01
+3.689205E+01
+1.862562E-01
+6.941428E-03
+5.180621E-01
+5.370209E-02
+5.067386E+00
+5.141748E+00
+1.912704E+00
+7.328484E-01
+4.655140E+00
+4.340941E+00
+2.858992E+00
+1.637705E+00
+4.331050E-01
+3.759875E-02
+1.054091E+00
+2.227118E-01
+1.692974E+00
+5.796396E-01
+5.560487E-02
+6.246120E-04
+1.353311E-01
+3.699815E-03
+2.368737E+00
+1.143184E+00
+7.950085E-02
+1.286135E-03
+1.934892E-01
+7.618268E-03
+7.119767E+00
+1.030095E+01
+8.427627E-02
+1.442764E-03
+2.051141E-01
+8.546249E-03
+2.047651E+01
+8.426275E+01
+3.183786E-02
+2.037156E-04
+7.878057E-02
+1.247311E-03
+1.326415E+01
+3.519010E+01
+1.833688E-01
+6.726832E-03
+5.100312E-01
+5.204188E-02
diff --git a/tests/regression_tests/random_ray_k_eff_mesh/test.py b/tests/regression_tests/random_ray_k_eff_mesh/test.py
new file mode 100644
index 000000000..cffdaf8bb
--- /dev/null
+++ b/tests/regression_tests/random_ray_k_eff_mesh/test.py
@@ -0,0 +1,36 @@
+import os
+
+import openmc
+from openmc.examples import random_ray_lattice
+
+from tests.testing_harness import TolerantPyAPITestHarness
+
+
+class MGXSTestHarness(TolerantPyAPITestHarness):
+    def _cleanup(self):
+        super()._cleanup()
+        f = 'mgxs.h5'
+        if os.path.exists(f):
+            os.remove(f)
+
+
+def test_random_ray_k_eff_mesh():
+    model = random_ray_lattice()
+
+    # The model already has some geometrical subdivisions
+    # up to a 10x10 grid in the moderator region. So, we
+    # increase the resolution 40x40 applied over the full
+    # 2x2 lattice.
+    pitch = 1.26
+    dim = 40
+    mesh = openmc.RegularMesh()
+    mesh.dimension = (dim, dim)
+    mesh.lower_left = (-pitch, -pitch)
+    mesh.upper_right = (pitch, pitch)
+    
+    root = model.geometry.root_universe
+    
+    model.settings.random_ray['source_region_meshes'] = [(mesh, [root])]
+
+    harness = MGXSTestHarness('statepoint.10.h5', model)
+    harness.main()
diff --git a/tests/regression_tests/weightwindows_fw_cadis_mesh/__init__.py b/tests/regression_tests/weightwindows_fw_cadis_mesh/__init__.py
new file mode 100644
index 000000000..e69de29bb
diff --git a/tests/regression_tests/weightwindows_fw_cadis_mesh/flat/inputs_true.dat b/tests/regression_tests/weightwindows_fw_cadis_mesh/flat/inputs_true.dat
new file mode 100644
index 000000000..ffb2ac112
--- /dev/null
+++ b/tests/regression_tests/weightwindows_fw_cadis_mesh/flat/inputs_true.dat
@@ -0,0 +1,265 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <cross_sections>mgxs.h5</cross_sections>
+    <material id="1" name="source">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="source"/>
+    </material>
+    <material id="2" name="void">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="void"/>
+    </material>
+    <material id="3" name="absorber">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="absorber"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" name="infinite source region" universe="1"/>
+    <cell id="2" material="2" name="infinite void region" universe="2"/>
+    <cell id="3" material="3" name="infinite absorber region" universe="3"/>
+    <cell fill="4" id="4" universe="5"/>
+    <cell fill="5" id="5" name="full domain" region="1 -2 3 -4 5 -6" universe="6"/>
+    <lattice id="4">
+      <pitch>2.5 2.5 2.5</pitch>
+      <dimension>12 12 12</dimension>
+      <lower_left>0.0 0.0 0.0</lower_left>
+      <universes>
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
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+
+3 3 3 3 3 3 3 3 3 3 3 3 
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+
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+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 </universes>
+    </lattice>
+    <surface boundary="reflective" coeffs="0.0" id="1" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="30.0" id="2" type="x-plane"/>
+    <surface boundary="reflective" coeffs="0.0" id="3" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="30.0" id="4" type="y-plane"/>
+    <surface boundary="reflective" coeffs="0.0" id="5" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="30.0" id="6" type="z-plane"/>
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>750</particles>
+    <batches>30</batches>
+    <inactive>20</inactive>
+    <source particle="neutron" strength="3.14" type="independent">
+      <energy type="discrete">
+        <parameters>100.0 1.0</parameters>
+      </energy>
+      <constraints>
+        <domain_type>universe</domain_type>
+        <domain_ids>1</domain_ids>
+      </constraints>
+    </source>
+    <energy_mode>multi-group</energy_mode>
+    <weight_window_generators>
+      <weight_windows_generator>
+        <mesh>1</mesh>
+        <particle_type>neutron</particle_type>
+        <max_realizations>10</max_realizations>
+        <update_interval>1</update_interval>
+        <on_the_fly>true</on_the_fly>
+        <method>fw_cadis</method>
+      </weight_windows_generator>
+    </weight_window_generators>
+    <mesh id="1">
+      <dimension>15 15 15</dimension>
+      <lower_left>0.0 0.0 0.0</lower_left>
+      <upper_right>30.0 30.0 30.0</upper_right>
+    </mesh>
+    <random_ray>
+      <distance_active>500.0</distance_active>
+      <distance_inactive>100.0</distance_inactive>
+      <source particle="neutron" strength="1.0" type="independent">
+        <space type="box">
+          <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
+        </space>
+      </source>
+      <volume_normalized_flux_tallies>True</volume_normalized_flux_tallies>
+      <source_region_meshes>
+        <mesh id="1">
+          <domain id="6" type="universe"/>
+        </mesh>
+      </source_region_meshes>
+      <source_shape>flat</source_shape>
+    </random_ray>
+  </settings>
+  <tallies>
+    <filter id="3" type="material">
+      <bins>1</bins>
+    </filter>
+    <filter id="2" type="material">
+      <bins>2</bins>
+    </filter>
+    <filter id="1" type="material">
+      <bins>3</bins>
+    </filter>
+    <tally id="3" name="Source Tally">
+      <filters>3</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="2" name="Void Tally">
+      <filters>2</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="1" name="Absorber Tally">
+      <filters>1</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/weightwindows_fw_cadis_mesh/flat/results_true.dat b/tests/regression_tests/weightwindows_fw_cadis_mesh/flat/results_true.dat
new file mode 100644
index 000000000..e14b7e199
--- /dev/null
+++ b/tests/regression_tests/weightwindows_fw_cadis_mesh/flat/results_true.dat
@@ -0,0 +1,6760 @@
+RegularMesh
+	ID             =	1
+	Name           =	
+	Dimensions     =	3
+	Voxels         =	[15 15 15]
+	Lower left     =	[0. 0. 0.]
+	Upper Right    =	[np.float64(30.0), np.float64(30.0), np.float64(30.0)]
+	Width          =	[2. 2. 2.]
+Lower Bounds
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\ No newline at end of file
diff --git a/tests/regression_tests/weightwindows_fw_cadis_mesh/linear/inputs_true.dat b/tests/regression_tests/weightwindows_fw_cadis_mesh/linear/inputs_true.dat
new file mode 100644
index 000000000..6aa91ca79
--- /dev/null
+++ b/tests/regression_tests/weightwindows_fw_cadis_mesh/linear/inputs_true.dat
@@ -0,0 +1,265 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <cross_sections>mgxs.h5</cross_sections>
+    <material id="1" name="source">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="source"/>
+    </material>
+    <material id="2" name="void">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="void"/>
+    </material>
+    <material id="3" name="absorber">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="absorber"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" name="infinite source region" universe="1"/>
+    <cell id="2" material="2" name="infinite void region" universe="2"/>
+    <cell id="3" material="3" name="infinite absorber region" universe="3"/>
+    <cell fill="4" id="4" universe="5"/>
+    <cell fill="5" id="5" name="full domain" region="1 -2 3 -4 5 -6" universe="6"/>
+    <lattice id="4">
+      <pitch>2.5 2.5 2.5</pitch>
+      <dimension>12 12 12</dimension>
+      <lower_left>0.0 0.0 0.0</lower_left>
+      <universes>
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+1 1 2 2 2 2 2 2 2 2 3 3 
+1 1 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+1 1 2 2 2 2 2 2 2 2 3 3 
+1 1 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
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+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
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+
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+
+3 3 3 3 3 3 3 3 3 3 3 3 
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+
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+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 </universes>
+    </lattice>
+    <surface boundary="reflective" coeffs="0.0" id="1" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="30.0" id="2" type="x-plane"/>
+    <surface boundary="reflective" coeffs="0.0" id="3" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="30.0" id="4" type="y-plane"/>
+    <surface boundary="reflective" coeffs="0.0" id="5" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="30.0" id="6" type="z-plane"/>
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>750</particles>
+    <batches>30</batches>
+    <inactive>20</inactive>
+    <source particle="neutron" strength="3.14" type="independent">
+      <energy type="discrete">
+        <parameters>100.0 1.0</parameters>
+      </energy>
+      <constraints>
+        <domain_type>universe</domain_type>
+        <domain_ids>1</domain_ids>
+      </constraints>
+    </source>
+    <energy_mode>multi-group</energy_mode>
+    <weight_window_generators>
+      <weight_windows_generator>
+        <mesh>1</mesh>
+        <particle_type>neutron</particle_type>
+        <max_realizations>10</max_realizations>
+        <update_interval>1</update_interval>
+        <on_the_fly>true</on_the_fly>
+        <method>fw_cadis</method>
+      </weight_windows_generator>
+    </weight_window_generators>
+    <mesh id="1">
+      <dimension>15 15 15</dimension>
+      <lower_left>0.0 0.0 0.0</lower_left>
+      <upper_right>30.0 30.0 30.0</upper_right>
+    </mesh>
+    <random_ray>
+      <distance_active>500.0</distance_active>
+      <distance_inactive>100.0</distance_inactive>
+      <source particle="neutron" strength="1.0" type="independent">
+        <space type="box">
+          <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
+        </space>
+      </source>
+      <volume_normalized_flux_tallies>True</volume_normalized_flux_tallies>
+      <source_region_meshes>
+        <mesh id="1">
+          <domain id="6" type="universe"/>
+        </mesh>
+      </source_region_meshes>
+      <source_shape>linear</source_shape>
+    </random_ray>
+  </settings>
+  <tallies>
+    <filter id="3" type="material">
+      <bins>1</bins>
+    </filter>
+    <filter id="2" type="material">
+      <bins>2</bins>
+    </filter>
+    <filter id="1" type="material">
+      <bins>3</bins>
+    </filter>
+    <tally id="3" name="Source Tally">
+      <filters>3</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="2" name="Void Tally">
+      <filters>2</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="1" name="Absorber Tally">
+      <filters>1</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/weightwindows_fw_cadis_mesh/linear/results_true.dat b/tests/regression_tests/weightwindows_fw_cadis_mesh/linear/results_true.dat
new file mode 100644
index 000000000..3afdc56ca
--- /dev/null
+++ b/tests/regression_tests/weightwindows_fw_cadis_mesh/linear/results_true.dat
@@ -0,0 +1,6760 @@
+RegularMesh
+	ID             =	1
+	Name           =	
+	Dimensions     =	3
+	Voxels         =	[15 15 15]
+	Lower left     =	[0. 0. 0.]
+	Upper Right    =	[np.float64(30.0), np.float64(30.0), np.float64(30.0)]
+	Width          =	[2. 2. 2.]
+Lower Bounds
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\ No newline at end of file
diff --git a/tests/regression_tests/weightwindows_fw_cadis_mesh/test.py b/tests/regression_tests/weightwindows_fw_cadis_mesh/test.py
new file mode 100644
index 000000000..680e9dc6d
--- /dev/null
+++ b/tests/regression_tests/weightwindows_fw_cadis_mesh/test.py
@@ -0,0 +1,49 @@
+import os
+
+import openmc
+from openmc.utility_funcs import change_directory
+from openmc.examples import random_ray_three_region_cube
+import pytest
+
+from tests.testing_harness import WeightWindowPyAPITestHarness
+
+
+class MGXSTestHarness(WeightWindowPyAPITestHarness):
+    def _cleanup(self):
+        super()._cleanup()
+        f = 'mgxs.h5'
+        if os.path.exists(f):
+            os.remove(f)
+
+
+@pytest.mark.parametrize("shape", ["flat", "linear"])
+def test_weight_windows_fw_cadis_mesh(shape):
+    with change_directory(shape):
+        openmc.reset_auto_ids()
+
+        model = random_ray_three_region_cube()
+
+        # The base model has a resolution of 12, so we overlay
+        # something else for FW-CADIS
+        n = 15
+        width = 30.0
+        ww_mesh = openmc.RegularMesh()
+        ww_mesh.dimension = (n, n, n)
+        ww_mesh.lower_left = (0.0, 0.0, 0.0)
+        ww_mesh.upper_right = (width, width, width)
+
+        wwg = openmc.WeightWindowGenerator(
+            method="fw_cadis", mesh=ww_mesh, max_realizations=model.settings.batches)
+        model.settings.weight_window_generators = wwg
+        
+        root = model.geometry.root_universe
+        model.settings.random_ray['source_region_meshes'] = [(ww_mesh, [root])]
+
+        model.settings.particles = 750
+        model.settings.batches = 30
+        model.settings.inactive = 20
+
+        model.settings.random_ray['source_shape'] = shape
+
+        harness = MGXSTestHarness('statepoint.30.h5', model)
+        harness.main()

From 906548db20d4ce3c322e7317992c73b51daeb11d Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 7 Mar 2025 14:49:36 -0600
Subject: [PATCH 2276/2654] Release notes for 0.15.1 (#3340)

Co-authored-by: Patrick Shriwise <pshriwise@gmail.com>
---
 CONTRIBUTING.md                          |   2 +-
 docs/source/devguide/docker.rst          |   9 +-
 docs/source/devguide/styleguide.rst      |   9 +-
 docs/source/devguide/user-input.rst      |   4 +-
 docs/source/devguide/workflow.rst        |   2 +-
 docs/source/methods/cross_sections.rst   |   4 +-
 docs/source/methods/depletion.rst        |   2 +-
 docs/source/methods/geometry.rst         |   2 +-
 docs/source/methods/neutron_physics.rst  |  12 +-
 docs/source/methods/parallelization.rst  |   6 +-
 docs/source/methods/photon_physics.rst   |   2 +-
 docs/source/methods/tallies.rst          |   2 +-
 docs/source/publications.rst             |  10 +-
 docs/source/pythonapi/deplete.rst        |   2 +-
 docs/source/quickinstall.rst             |  49 ++---
 docs/source/releasenotes/0.15.1.rst      | 224 +++++++++++++++++++++++
 docs/source/releasenotes/index.rst       |   1 +
 docs/source/usersguide/basics.rst        |   2 +-
 docs/source/usersguide/beginners.rst     |  12 +-
 docs/source/usersguide/data.rst          |  18 +-
 docs/source/usersguide/decay_sources.rst |  16 +-
 docs/source/usersguide/install.rst       |  54 ++----
 docs/source/usersguide/parallel.rst      |   2 +-
 include/openmc/random_dist.h             |   4 +-
 openmc/data/ace.py                       |   6 +-
 openmc/data/endf.py                      |   8 +-
 openmc/data/fission_energy.py            |   2 +-
 openmc/deplete/integrators.py            |   4 +-
 openmc/examples.py                       |   5 +-
 openmc/mgxs/__init__.py                  |   6 +-
 openmc/tallies.py                        |   2 +-
 src/math_functions.cpp                   |   2 +-
 tools/dev/generate_release_notes.py      |  17 ++
 33 files changed, 352 insertions(+), 150 deletions(-)
 create mode 100644 docs/source/releasenotes/0.15.1.rst
 create mode 100644 tools/dev/generate_release_notes.py

diff --git a/CONTRIBUTING.md b/CONTRIBUTING.md
index 378ca346a..184c522d4 100644
--- a/CONTRIBUTING.md
+++ b/CONTRIBUTING.md
@@ -13,7 +13,7 @@ openmc@anl.gov.
 ## Resources
 
 - [GitHub Repository](https://github.com/openmc-dev/openmc)
-- [Documentation](http://docs.openmc.org/en/latest)
+- [Documentation](https://docs.openmc.org/en/latest)
 - [Discussion Forum](https://openmc.discourse.group)
 - [Slack Community](https://openmc.slack.com/signup) (If you don't see your
   domain listed, contact openmc@anl.gov)
diff --git a/docs/source/devguide/docker.rst b/docs/source/devguide/docker.rst
index 0b2191168..50ff29bd2 100644
--- a/docs/source/devguide/docker.rst
+++ b/docs/source/devguide/docker.rst
@@ -45,12 +45,11 @@ Now you can run the following to create a `Docker container`_ called
 This command will open an interactive shell running from within the
 Docker container where you have access to use OpenMC.
 
-.. note:: The ``docker run`` command supports many
-          `options <https://docs.docker.com/engine/reference/commandline/run/>`_
+.. note:: The ``docker run`` command supports many options_
           for spawning containers -- including `mounting volumes`_ from the
           host filesystem -- which many users will find useful.
 
-.. _Docker image: https://docs.docker.com/engine/reference/commandline/images/
+.. _Docker image: https://docs.docker.com/get-started/docker-concepts/the-basics/what-is-an-image/
 .. _Docker container: https://www.docker.com/resources/what-container
-.. _options: https://docs.docker.com/engine/reference/commandline/run/
-.. _mounting volumes: https://docs.docker.com/storage/volumes/
+.. _options: https://docs.docker.com/reference/cli/docker/container/run/
+.. _mounting volumes: https://docs.docker.com/engine/storage/volumes/
diff --git a/docs/source/devguide/styleguide.rst b/docs/source/devguide/styleguide.rst
index b8ec2d40f..2c882b034 100644
--- a/docs/source/devguide/styleguide.rst
+++ b/docs/source/devguide/styleguide.rst
@@ -47,7 +47,8 @@ is more difficult to comment out a large section of code that uses C-style
 comments.)
 
 Do not use C-style casting. Always use the C++-style casts ``static_cast``,
-``const_cast``, or ``reinterpret_cast``. (See `ES.49 <http://isocpp.github.io/CppCoreGuidelines/CppCoreGuidelines#es49-if-you-must-use-a-cast-use-a-named-cast>`_)
+``const_cast``, or ``reinterpret_cast``. (See `ES.49
+<https://isocpp.github.io/CppCoreGuidelines/CppCoreGuidelines#es49-if-you-must-use-a-cast-use-a-named-cast>`_)
 
 Source Files
 ------------
@@ -156,11 +157,11 @@ Prefer pathlib_ when working with filesystem paths over functions in the os_
 module or other standard-library modules. Functions that accept arguments that
 represent a filesystem path should work with both strings and Path_ objects.
 
-.. _C++ Core Guidelines: http://isocpp.github.io/CppCoreGuidelines/CppCoreGuidelines
-.. _PEP8: https://www.python.org/dev/peps/pep-0008/
+.. _C++ Core Guidelines: https://isocpp.github.io/CppCoreGuidelines/CppCoreGuidelines
+.. _PEP8: https://peps.python.org/pep-0008/
 .. _numpydoc: https://numpydoc.readthedocs.io/en/latest/format.html
 .. _numpy: https://numpy.org/
-.. _scipy: https://www.scipy.org/
+.. _scipy: https://scipy.org/
 .. _matplotlib: https://matplotlib.org/
 .. _pandas: https://pandas.pydata.org/
 .. _h5py: https://www.h5py.org/
diff --git a/docs/source/devguide/user-input.rst b/docs/source/devguide/user-input.rst
index a26f98b19..bbae3b715 100644
--- a/docs/source/devguide/user-input.rst
+++ b/docs/source/devguide/user-input.rst
@@ -55,6 +55,6 @@ developer or send a message to the `developers mailing list`_.
 
 
 .. _property attribute: https://docs.python.org/3.6/library/functions.html#property
-.. _XML Schema Part 2: http://www.w3.org/TR/xmlschema-2/
-.. _boolean: http://www.w3.org/TR/xmlschema-2/#boolean
+.. _XML Schema Part 2: https://www.w3.org/TR/xmlschema-2/
+.. _boolean: https://www.w3.org/TR/xmlschema-2/#boolean
 .. _developers mailing list: https://groups.google.com/forum/?fromgroups=#!forum/openmc-dev
diff --git a/docs/source/devguide/workflow.rst b/docs/source/devguide/workflow.rst
index d9d36c161..d600c236f 100644
--- a/docs/source/devguide/workflow.rst
+++ b/docs/source/devguide/workflow.rst
@@ -129,7 +129,7 @@ can interfere with virtual environments.
 .. _git: https://git-scm.com/
 .. _GitHub: https://github.com/
 .. _git flow: https://nvie.com/git-model
-.. _valgrind: https://www.valgrind.org/
+.. _valgrind: https://valgrind.org/
 .. _style guide: https://docs.openmc.org/en/latest/devguide/styleguide.html
 .. _pull request: https://docs.github.com/en/github/collaborating-with-issues-and-pull-requests/about-pull-requests
 .. _openmc-dev/openmc: https://github.com/openmc-dev/openmc
diff --git a/docs/source/methods/cross_sections.rst b/docs/source/methods/cross_sections.rst
index ad64b0e38..a66abb3ed 100644
--- a/docs/source/methods/cross_sections.rst
+++ b/docs/source/methods/cross_sections.rst
@@ -295,8 +295,8 @@ or even isotropic scattering.
 .. _Josey: https://doi.org/10.1016/j.jcp.2015.08.013
 .. _WMP Library: https://github.com/mit-crpg/WMP_Library
 .. _MCNP: https://mcnp.lanl.gov
-.. _Serpent: https://serpent.vtt.fi/serpent/
-.. _NJOY: https://www.njoy21.io/NJOY21/
+.. _Serpent: https://serpent.vtt.fi
+.. _NJOY: https://www.njoy21.io/
 .. _ENDF/B data: https://www.nndc.bnl.gov/endf-b8.0/
 .. _Leppanen: https://doi.org/10.1016/j.anucene.2009.03.019
 .. _algorithms: http://ab-initio.mit.edu/faddeeva/
diff --git a/docs/source/methods/depletion.rst b/docs/source/methods/depletion.rst
index 87a9976dd..edcf2c3f5 100644
--- a/docs/source/methods/depletion.rst
+++ b/docs/source/methods/depletion.rst
@@ -114,7 +114,7 @@ The predictor method only requires one evaluation and its error converges as
 twice as expensive as the predictor method, but achieves an error of
 :math:`\mathcal{O}(h^2)`. An exhaustive description of time integration methods
 and their merits can be found in the `thesis of Colin Josey
-<http://dspace.mit.edu/handle/1721.1/7582>`_.
+<https://dspace.mit.edu/handle/1721.1/7582>`_.
 
 OpenMC does not rely on a single time integration method but rather has several
 classes that implement different algorithms. For example, the
diff --git a/docs/source/methods/geometry.rst b/docs/source/methods/geometry.rst
index fa8bb3cf7..05cda4b64 100644
--- a/docs/source/methods/geometry.rst
+++ b/docs/source/methods/geometry.rst
@@ -1066,5 +1066,5 @@ surface is known as in :ref:`reflection`.
 .. _constructive solid geometry: https://en.wikipedia.org/wiki/Constructive_solid_geometry
 .. _surfaces: https://en.wikipedia.org/wiki/Surface
 .. _MCNP: https://mcnp.lanl.gov
-.. _Serpent: https://serpent.vtt.fi/serpent/
+.. _Serpent: https://serpent.vtt.fi
 .. _Monte Carlo Performance benchmark: https://github.com/mit-crpg/benchmarks/tree/master/mc-performance/openmc
diff --git a/docs/source/methods/neutron_physics.rst b/docs/source/methods/neutron_physics.rst
index 70ace4a35..fe8b8ad85 100644
--- a/docs/source/methods/neutron_physics.rst
+++ b/docs/source/methods/neutron_physics.rst
@@ -1743,19 +1743,19 @@ types.
 
 .. _Watt fission spectrum: https://doi.org/10.1103/PhysRev.87.1037
 
-.. _Foderaro: http://hdl.handle.net/1721.1/1716
+.. _Foderaro: https://dspace.mit.edu/handle/1721.1/1716
 
 .. _OECD: https://www.oecd-nea.org/tools/abstract/detail/NEA-1792
 
 .. _NJOY: https://www.njoy21.io/NJOY2016/
 
-.. _PREPRO: https://www-nds.iaea.org/ndspub/endf/prepro/
+.. _PREPRO: https://www-nds.iaea.org/public/endf/prepro/
 
 .. _ENDF-6 Format: https://www.oecd-nea.org/dbdata/data/manual-endf/endf102.pdf
 
-.. _Monte Carlo Sampler: https://permalink.lanl.gov/object/tr?what=info:lanl-repo/lareport/LA-09721-MS
+.. _Monte Carlo Sampler: https://mcnp.lanl.gov/pdf_files/TechReport_1983_LANL_LA-9721-MS_EverettCashwell.pdf
 
-.. _LA-UR-14-27694: https://permalink.lanl.gov/object/tr?what=info:lanl-repo/lareport/LA-UR-14-27694
+.. _LA-UR-14-27694: https://www.osti.gov/biblio/1159204
 
 .. _MC21: https://www.osti.gov/biblio/903083
 
@@ -1763,6 +1763,4 @@ types.
 
 .. _Sutton and Brown: https://www.osti.gov/biblio/307911
 
-.. _lectures: https://laws.lanl.gov/vhosts/mcnp.lanl.gov/pdf_files/la-ur-05-4983.pdf
-
-.. _MCNP Manual: https://laws.lanl.gov/vhosts/mcnp.lanl.gov/pdf_files/la-ur-03-1987.pdf
+.. _lectures: https://mcnp.lanl.gov/pdf_files/TechReport_2005_LANL_LA-UR-05-4983_Brown.pdf
diff --git a/docs/source/methods/parallelization.rst b/docs/source/methods/parallelization.rst
index d9fc15c9f..87ac48590 100644
--- a/docs/source/methods/parallelization.rst
+++ b/docs/source/methods/parallelization.rst
@@ -609,17 +609,17 @@ is actually independent of the number of nodes:
 
 .. _first paper: https://doi.org/10.2307/2280232
 
-.. _work of Forrest Brown: http://hdl.handle.net/2027.42/24996
+.. _work of Forrest Brown: https://deepblue.lib.umich.edu/handle/2027.42/24996
 
 .. _Brissenden and Garlick: https://doi.org/10.1016/0306-4549(86)90095-2
 
-.. _MPICH: http://www.mpich.org
+.. _MPICH: https://www.mpich.org
 
 .. _binomial tree: https://www.mcs.anl.gov/~thakur/papers/ijhpca-coll.pdf
 
 .. _Geary: https://doi.org/10.2307/2342070
 
-.. _Barnett: http://citeseerx.ist.psu.edu/viewdoc/summary?doi=10.1.1.51.7772
+.. _Barnett: https://citeseerx.ist.psu.edu/viewdoc/summary?doi=10.1.1.51.7772
 
 .. _single-instruction multiple-data: https://en.wikipedia.org/wiki/SIMD
 
diff --git a/docs/source/methods/photon_physics.rst b/docs/source/methods/photon_physics.rst
index 42c68431a..22d2c7f26 100644
--- a/docs/source/methods/photon_physics.rst
+++ b/docs/source/methods/photon_physics.rst
@@ -1059,7 +1059,7 @@ emitted photon.
 
 .. _anomalous scattering: http://pd.chem.ucl.ac.uk/pdnn/diff1/anomscat.htm
 
-.. _Kahn's rejection method: https://mcnp.lanl.gov/pdf_files/TechReport_1956_RC_AECU-3259RM-1237-AEC_Kahn.pdf
+.. _Kahn's rejection method: https://doi.org/10.2172/4353680
 
 .. _Klein-Nishina: https://en.wikipedia.org/wiki/Klein%E2%80%93Nishina_formula
 
diff --git a/docs/source/methods/tallies.rst b/docs/source/methods/tallies.rst
index 4b56d3955..57e05d84f 100644
--- a/docs/source/methods/tallies.rst
+++ b/docs/source/methods/tallies.rst
@@ -522,4 +522,4 @@ improve the estimate of the percentile.
 
 .. _unpublished rational approximation: https://stackedboxes.org/2017/05/01/acklams-normal-quantile-function/
 
-.. _MC21: http://www.osti.gov/bridge/servlets/purl/903083-HT5p1o/903083.pdf
+.. _MC21: https://www.osti.gov/servlets/purl/903083
diff --git a/docs/source/publications.rst b/docs/source/publications.rst
index 88d0a97b9..a2d60d5af 100644
--- a/docs/source/publications.rst
+++ b/docs/source/publications.rst
@@ -138,8 +138,8 @@ Geometry and Visualization
   *Trans. Am. Nucl. Soc.*, **114**, 391-394 (2016).
 
 - Derek M. Lax, "`Memory efficient indexing algorithm for physical properties in
-  OpenMC <http://hdl.handle.net/1721.1/97862>`_," S. M. Thesis, Massachusetts
-  Institute of Technology (2015).
+  OpenMC <https://dspace.mit.edu/handle/1721.1/97862>`_," S. M. Thesis,
+  Massachusetts Institute of Technology (2015).
 
 - Derek Lax, William Boyd, Nicholas Horelik, Benoit Forget, and Kord Smith, "A
   memory efficient algorithm for classifying unique regions in constructive
@@ -399,7 +399,8 @@ Doppler Broadening
 - Jonathan A. Walsh, Benoit Forget, Kord S. Smith, Brian C. Kiedrowski, and
   Forrest B. Brown, "`Direct, on-the-fly calculation of unresolved resonance
   region cross sections in Monte Carlo simulations
-  <http://hdl.handle.net/1721.1/108644>`_," *Proc. Joint Int. Conf. M&C+SNA+MC*,
+  <https://dspace.mit.edu/handle/1721.1/108644>`_," *Proc. Joint Int. Conf.
+  M&C+SNA+MC*,
   Nashville, Tennessee, Apr. 19--23 (2015).
 
 - Colin Josey, Benoit Forget, and Kord Smith, "`Windowed multipole sensitivity
@@ -596,7 +597,8 @@ Depletion
 
 - Matthew S. Ellis, Colin Josey, Benoit Forget, and Kord Smith, "`Spatially
   Continuous Depletion Algorithm for Monte Carlo Simulations
-  <http://hdl.handle.net/1721.1/107880>`_," *Trans. Am. Nucl. Soc.*, **115**,
+  <https://dspace.mit.edu/handle/1721.1/107880>`_," *Trans. Am. Nucl. Soc.*,
+  **115**,
   1221-1224 (2016).
 
 - Anas Gul, K. S. Chaudri, R. Khan, and M. Azeen, "`Development and verification
diff --git a/docs/source/pythonapi/deplete.rst b/docs/source/pythonapi/deplete.rst
index d7a779b12..5d02fa6b9 100644
--- a/docs/source/pythonapi/deplete.rst
+++ b/docs/source/pythonapi/deplete.rst
@@ -26,7 +26,7 @@ provided to obtain reaction rates from cross-section data. Several classes are
 provided that implement different time-integration algorithms for depletion
 calculations, which are described in detail in Colin Josey's thesis,
 `Development and analysis of high order neutron transport-depletion coupling
-algorithms <http://hdl.handle.net/1721.1/113721>`_.
+algorithms <https://dspace.mit.edu/handle/1721.1/113721>`_.
 
 .. autosummary::
     :toctree: generated
diff --git a/docs/source/quickinstall.rst b/docs/source/quickinstall.rst
index 323cd7fd4..21526242f 100644
--- a/docs/source/quickinstall.rst
+++ b/docs/source/quickinstall.rst
@@ -8,56 +8,35 @@ This quick install guide outlines the basic steps needed to install OpenMC on
 your computer. For more detailed instructions on configuring and installing
 OpenMC, see :ref:`usersguide_install` in the User's Manual.
 
---------------------------------------------------
-Installing on Linux/Mac with Mamba and conda-forge
---------------------------------------------------
+----------------------------------
+Installing on Linux/Mac with Conda
+----------------------------------
 
-`Conda <https://conda.io/en/latest/>`_ is an open source package management
+`Conda <https://docs.conda.io/en/latest/>`_ is an open source package management
 system and environments management system for installing multiple versions of
 software packages and their dependencies and switching easily between them.
-`Mamba <https://mamba.readthedocs.io/en/latest/>`_ is a cross-platform package
-manager and is compatible with `conda` packages.
-OpenMC can be installed in a `conda` environment with `mamba`.
-First, `conda` should be installed with one of the following installers:
-`Miniconda <https://docs.conda.io/en/latest/miniconda.html>`_,
-`Anaconda <https://www.anaconda.com/>`_, or `Miniforge <https://github.com/conda-forge/miniforge>`_.
-Once you have `conda` installed on your system, OpenMC can be installed via the
-`conda-forge` channel with `mamba`.
+OpenMC can be installed in a `conda` environment. First, `conda` should be
+`installed <https://www.anaconda.com/docs/getting-started/getting-started>`_
+with either Anaconda Distribution or Miniconda. Once you have `conda` installed
+on your system, OpenMC can be installed via the `conda-forge` channel.
 
 First, add the `conda-forge` channel with:
 
 .. code-block:: sh
 
     conda config --add channels conda-forge
+    conda config --set channel_priority strict
 
-Then create and activate a new conda enviroment called `openmc-env` in
-which to install OpenMC.
+Then create and activate a new conda enviroment called `openmc-env` (or whatever
+you wish) with OpenMC installed.
 
 .. code-block:: sh
 
-    conda create -n openmc-env
+    conda create --name openmc-env openmc
     conda activate openmc-env
 
-Then install `mamba`, which will be used to install OpenMC.
-
-.. code-block:: sh
-
-    conda install mamba
-
-To list the versions of OpenMC that are available on the `conda-forge` channel,
-in your terminal window or an Anaconda Prompt run:
-
-.. code-block:: sh
-
-    mamba search openmc
-
-OpenMC can then be installed with:
-
-.. code-block:: sh
-
-    mamba install openmc
-
-You are now in a conda environment called `openmc-env` that has OpenMC installed.
+You are now in a conda environment called `openmc-env` that has OpenMC
+installed.
 
 -------------------------------------------
 Installing on Linux/Mac/Windows with Docker
diff --git a/docs/source/releasenotes/0.15.1.rst b/docs/source/releasenotes/0.15.1.rst
new file mode 100644
index 000000000..d879b50ed
--- /dev/null
+++ b/docs/source/releasenotes/0.15.1.rst
@@ -0,0 +1,224 @@
+====================
+What's New in 0.15.1
+====================
+
+.. currentmodule:: openmc
+
+-------
+Summary
+-------
+
+This release of OpenMC includes many bug fixes, performance improvements, and
+several notable new features. The random ray solver continues to receive many
+updates and improvements, which are listed below in more detail. A new
+:class:`~openmc.SolidRayTracePlot` class has been added that enables attractive
+3D visualization using Phong shading. Several composite surfaces have been
+introduced (which help to further expand the capabilities of the
+`openmc_mcnp_adapter <https://github.com/openmc-dev/openmc_mcnp_adapter/>`_).
+The :meth:`openmc.Mesh.material_volumes` method has been completely
+reimplemented with a new approach based on ray tracing that greatly improves
+performance and can be executed in parallel. Tally results can be automatically
+applied to input :class:`~openmc.Tally` objects with :meth:`openmc.Model.run`,
+bypassing boilerplate code for collecting tally results from statepoint files.
+Finally, a new :mod:`openmc.deplete.d1s` submodule has been added that enables
+Direct 1-Step (D1S) calculations of shutdown dose rate for fusion applications.
+
+------------------------------------
+Compatibility Notes and Deprecations
+------------------------------------
+
+The ``openmc.ProjectionPlot`` class has been renamed to
+:class:`openmc.WireframeRayTracePlot` to be in better alignment with the newly
+introduced :class:`openmc.SolidRayTracePlot` class.
+
+NCrystal has been moved from a build-time dependency to a runtime dependency,
+which means there is no longer a ``OPENMC_USE_NCRYSTAL`` CMake option. Instead,
+OpenMC will look for an installed version of NCrystal using the
+``ncrystal-config`` command.
+
+------------
+New Features
+------------
+
+- Numerous improvements have been made in the random ray solver:
+  - Calculation of Shannon entropy now works with random ray (`#3030 <https://github.com/openmc-dev/openmc/pull/3030>`_)
+  - Support for linear sources (`#3072 <https://github.com/openmc-dev/openmc/pull/3072>`_)
+  - Ability to slove for adjoint flux (`#3191 <https://github.com/openmc-dev/openmc/pull/3191>`_)
+  - Support randomized Quasi-Monte Carlo sampling (`#3268 <https://github.com/openmc-dev/openmc/pull/3268>`_)
+  - FW-CADIS weight window generation (`#3273 <https://github.com/openmc-dev/openmc/pull/3273>`_)
+  - Source region mesh subdivision(`#3333 <https://github.com/openmc-dev/openmc/pull/3333>`_)
+- Several new composite surfaces have been added:
+  - :class:`openmc.model.OrthogonalBox` (`#3118 <https://github.com/openmc-dev/openmc/pull/3118>`_)
+  - :class:`openmc.model.ConicalFrustum` (`#3151 <https://github.com/openmc-dev/openmc/pull/3151>`_)
+  - :class:`openmc.model.Vessel` (`#3168 <https://github.com/openmc-dev/openmc/pull/3168>`_)
+- The :meth:`openmc.Model.plot` method now supports plotting source sites
+  (`#2863 <https://github.com/openmc-dev/openmc/pull/2863>`_)
+- The :func:`openmc.stats.delta_function` convenience function can be used for
+  specifying distributions with a single point (`#3090
+  <https://github.com/openmc-dev/openmc/pull/3090>`_)
+- Added a :meth:`openmc,Material.get_element_atom_densities` method (`#3103
+  <https://github.com/openmc-dev/openmc/pull/3103>`_)
+- Several third-party dependencies have been removed:
+    - Cython (`#3111 <https://github.com/openmc-dev/openmc/pull/3111>`_)
+    - gsl-lite (`#3225 <https://github.com/openmc-dev/openmc/pull/3225>`_)
+- Added a new :class:`openmc.MuSurfaceFilter` class that filters tally events by
+  the cosine of angle of a surface crossing (`#2768
+  <https://github.com/openmc-dev/openmc/pull/2768>`_)
+- Introduced a :class:`openmc.ParticleList` class for manipulating a list of
+  source particles (`#3148 <https://github.com/openmc-dev/openmc/pull/3148>`_)
+- Support dose coefficients from ICRP 74 in
+  :func:`openmc.data.dose_coefficients` (`#3020
+  <https://github.com/openmc-dev/openmc/pull/3020>`_)
+- Introduced a new :attr:`openmc.Settings.uniform_source_sampling` option
+  (`#3195 <https://github.com/openmc-dev/openmc/pull/3195>`_)
+- Ability to differentiate materials in DAGMC universes (`#3056
+  <https://github.com/openmc-dev/openmc/pull/3056>`_)
+- Added methods to automatically apply results to existing Tally objects.
+  (`#2671 <https://github.com/openmc-dev/openmc/pull/2671>`_)
+- Implemented a new :class:`openmc.SolidRayTracePlot` class that can produce a
+  3D visualization based on Phong shading (`#2655
+  <https://github.com/openmc-dev/openmc/pull/2655>`_)
+- The :meth:`openmc.UnstructuredMesh.write_data_to_vtk` method now supports
+  writing a VTU file (`#3290 <https://github.com/openmc-dev/openmc/pull/3290>`_)
+- Composite surfaces now have a
+  :attr:`~openmc.CompositeSurface.component_surfaces` attribute that provides
+  the underlying primitive surfaces (`#3167
+  <https://github.com/openmc-dev/openmc/pull/3167>`_)
+- A new :mod:`openmc.deplete.d1s` submodule has been added that enables Direct
+  1-Step (D1S) calculations of shutdown dose rate for fusion applications
+  (`#3235 <https://github.com/openmc-dev/openmc/pull/3235>`_)
+
+---------------------------
+Bug Fixes and Small Changes
+---------------------------
+
+- run microxs with mpi (`#3028 <https://github.com/openmc-dev/openmc/pull/3028>`_)
+- Rely on std::filesystem for file_utils (`#3042 <https://github.com/openmc-dev/openmc/pull/3042>`_)
+- Random Ray Normalization Improvements (`#3051 <https://github.com/openmc-dev/openmc/pull/3051>`_)
+- Alternative Random Ray Volume Estimators (`#3060 <https://github.com/openmc-dev/openmc/pull/3060>`_)
+- Random Ray Testing Simplification (`#3061 <https://github.com/openmc-dev/openmc/pull/3061>`_)
+- Fix hyperlinks in `random_ray.rst` (`#3064 <https://github.com/openmc-dev/openmc/pull/3064>`_)
+- Add missing show_overlaps option to plots.xml input file documentation (`#3068 <https://github.com/openmc-dev/openmc/pull/3068>`_)
+- Remove use of pkg_resources package (`#3069 <https://github.com/openmc-dev/openmc/pull/3069>`_)
+- Add option for survival biasing source normalization (`#3070 <https://github.com/openmc-dev/openmc/pull/3070>`_)
+- Enforce sequence type when setting ``Setting.track`` (`#3071 <https://github.com/openmc-dev/openmc/pull/3071>`_)
+- Moving most of setup.py to pyproject.toml (`#3074 <https://github.com/openmc-dev/openmc/pull/3074>`_)
+- Enforce non-negative percents for ``material.add_nuclide`` to prevent unintended ao/wo flipping (`#3075 <https://github.com/openmc-dev/openmc/pull/3075>`_)
+- Include batch statistics discussion in methodology introduction (`#3076 <https://github.com/openmc-dev/openmc/pull/3076>`_)
+- Add -DCMAKE_BUILD_TYPE=Release flag for MOAB in Dockerfile (`#3077 <https://github.com/openmc-dev/openmc/pull/3077>`_)
+- Adjust decay data reader to better handle non-normalized branching ratios (`#3080 <https://github.com/openmc-dev/openmc/pull/3080>`_)
+- Correct openmc.Geometry initializer to accept iterables of ``openmc.Cell`` (`#3081 <https://github.com/openmc-dev/openmc/pull/3081>`_)
+- Replace all deprecated Python typing imports and syntax with updated forms (`#3085 <https://github.com/openmc-dev/openmc/pull/3085>`_)
+- Fix ParticleFilter to work with set inputs (`#3092 <https://github.com/openmc-dev/openmc/pull/3092>`_)
+- packages used for testing moved to tests section of pyprojects.toml (`#3094 <https://github.com/openmc-dev/openmc/pull/3094>`_)
+- removed unused which function in CI scripts (`#3095 <https://github.com/openmc-dev/openmc/pull/3095>`_)
+- Improve description of probabilities for ``openmc.stats.Tabular`` class (`#3099 <https://github.com/openmc-dev/openmc/pull/3099>`_)
+- Ensure RegularMesh repr shows value for width of the mesh (`#3100 <https://github.com/openmc-dev/openmc/pull/3100>`_)
+- Replacing endf c functions with package (`#3101 <https://github.com/openmc-dev/openmc/pull/3101>`_)
+- Fix random ray solver to correctly simulate fixed source problems with fissionable materials (`#3106 <https://github.com/openmc-dev/openmc/pull/3106>`_)
+- Improve error for nuclide temperature not found  (`#3110 <https://github.com/openmc-dev/openmc/pull/3110>`_)
+- Added error if cross sections path is a folder (`#3115 <https://github.com/openmc-dev/openmc/pull/3115>`_)
+- Implement bounding_box operation for meshes (`#3119 <https://github.com/openmc-dev/openmc/pull/3119>`_)
+- allowing varible offsets for ``polygon.offset`` (`#3120 <https://github.com/openmc-dev/openmc/pull/3120>`_)
+- Write surface source files per batch (`#3124 <https://github.com/openmc-dev/openmc/pull/3124>`_)
+- Mat ids reset (`#3125 <https://github.com/openmc-dev/openmc/pull/3125>`_)
+- Tweaking title of feature issue template (`#3127 <https://github.com/openmc-dev/openmc/pull/3127>`_)
+- Fix a typo in feature request template (`#3128 <https://github.com/openmc-dev/openmc/pull/3128>`_)
+- Update quickinstall instructions for macOS (`#3130 <https://github.com/openmc-dev/openmc/pull/3130>`_)
+- adapt the openmc-update-inputs script for surfaces (`#3131 <https://github.com/openmc-dev/openmc/pull/3131>`_)
+- Theory documentation on PCG random number generator (`#3134 <https://github.com/openmc-dev/openmc/pull/3134>`_)
+- Adding tmate action to CI for debugging (`#3138 <https://github.com/openmc-dev/openmc/pull/3138>`_)
+- Add Versioning Support from `version.txt` (`#3140 <https://github.com/openmc-dev/openmc/pull/3140>`_)
+- Correct failure due to progress bar values  (`#3143 <https://github.com/openmc-dev/openmc/pull/3143>`_)
+- Avoid writing subnormal nuclide densities to XML (`#3144 <https://github.com/openmc-dev/openmc/pull/3144>`_)
+- Immediately resolve complement operators for regions (`#3145 <https://github.com/openmc-dev/openmc/pull/3145>`_)
+- Improve Detection of libMesh Installation via `LIBMESH_ROOT` and CMake's PkgConfig (`#3149 <https://github.com/openmc-dev/openmc/pull/3149>`_)
+- Fix for UWUW Macro Conflict (`#3150 <https://github.com/openmc-dev/openmc/pull/3150>`_)
+- Consistency in treatment of paths for files specified within the Model class (`#3153 <https://github.com/openmc-dev/openmc/pull/3153>`_)
+- Improve clipping of Mixture distributions (`#3154 <https://github.com/openmc-dev/openmc/pull/3154>`_)
+- Fix check for trigger score name (`#3155 <https://github.com/openmc-dev/openmc/pull/3155>`_)
+- Prepare point query data structures on meshes when applying Weight Windows (`#3157 <https://github.com/openmc-dev/openmc/pull/3157>`_)
+- Add PointCloud spatial distribution (`#3161 <https://github.com/openmc-dev/openmc/pull/3161>`_)
+- Update fmt submodule to version 11.0.2 (`#3162 <https://github.com/openmc-dev/openmc/pull/3162>`_)
+- Move to support python 3.13 (`#3165 <https://github.com/openmc-dev/openmc/pull/3165>`_)
+- avoid zero division if source rate of previous result is zero (`#3169 <https://github.com/openmc-dev/openmc/pull/3169>`_)
+- Fix path handling for thermal ACE generation (`#3171 <https://github.com/openmc-dev/openmc/pull/3171>`_)
+- Update `fmt` Formatters for Compatibility with Versions below 11 (`#3172 <https://github.com/openmc-dev/openmc/pull/3172>`_)
+- added subfolders to txt search command in pyproject (`#3174 <https://github.com/openmc-dev/openmc/pull/3174>`_)
+- added list to doc string arg for plot_xs (`#3178 <https://github.com/openmc-dev/openmc/pull/3178>`_)
+- enable polymorphism for mix_materials (`#3180 <https://github.com/openmc-dev/openmc/pull/3180>`_)
+- Fix plot_xs type hint (`#3184 <https://github.com/openmc-dev/openmc/pull/3184>`_)
+- Enable adaptive mesh support on libMesh tallies (`#3185 <https://github.com/openmc-dev/openmc/pull/3185>`_)
+- Reset values of lattice offset tables when allocated (`#3188 <https://github.com/openmc-dev/openmc/pull/3188>`_)
+- Update surface_composite.py (`#3189 <https://github.com/openmc-dev/openmc/pull/3189>`_)
+- add export_model_xml arguments to ``Model.plot_geometry`` and ``Model.calculate_volumes`` (`#3190 <https://github.com/openmc-dev/openmc/pull/3190>`_)
+- Fixes in MicroXS.from_multigroup_flux (`#3192 <https://github.com/openmc-dev/openmc/pull/3192>`_)
+- Fix documentation typo in ``boundary_type`` (`#3196 <https://github.com/openmc-dev/openmc/pull/3196>`_)
+- Fix docstring for ``Model.plot`` (`#3198 <https://github.com/openmc-dev/openmc/pull/3198>`_)
+- Apply weight windows at collisions in multigroup transport mode. (`#3199 <https://github.com/openmc-dev/openmc/pull/3199>`_)
+- External sources alias sampler (`#3201 <https://github.com/openmc-dev/openmc/pull/3201>`_)
+- Add test for flux bias with weight windows in multigroup mode (`#3202 <https://github.com/openmc-dev/openmc/pull/3202>`_)
+- Fix bin index to DoF ID mapping bug in adaptive libMesh meshes (`#3206 <https://github.com/openmc-dev/openmc/pull/3206>`_)
+- Ensure ``libMesh::ReplicatedMesh`` is used for LibMesh tallies (`#3208 <https://github.com/openmc-dev/openmc/pull/3208>`_)
+- Set Model attributes only if needed (`#3209 <https://github.com/openmc-dev/openmc/pull/3209>`_)
+- adding unstrucutred mesh file suffix to docstring (`#3211 <https://github.com/openmc-dev/openmc/pull/3211>`_)
+- Write and read mesh name attribute (`#3221 <https://github.com/openmc-dev/openmc/pull/3221>`_)
+- Adjust for secondary particle energy directly in heating scores (`#3227 <https://github.com/openmc-dev/openmc/pull/3227>`_)
+- Correct normalization of thermal elastic in non standard ENDF-6 files (`#3234 <https://github.com/openmc-dev/openmc/pull/3234>`_)
+- Adding '#define _USE_MATH_DEFINES' to make M_PI declared in Intel and MSVC compilers (`#3238 <https://github.com/openmc-dev/openmc/pull/3238>`_)
+- updated link to log mapping technique (`#3241 <https://github.com/openmc-dev/openmc/pull/3241>`_)
+- Fix for erroneously non-zero tally results of photon threshold reactions (`#3242 <https://github.com/openmc-dev/openmc/pull/3242>`_)
+- Fix type comparison (`#3244 <https://github.com/openmc-dev/openmc/pull/3244>`_)
+- Enable the LegendreFilter filter to be used in photon tallies for orders greater than P0. (`#3245 <https://github.com/openmc-dev/openmc/pull/3245>`_)
+- Enable UWUW library when building with DAGMC in CI (`#3246 <https://github.com/openmc-dev/openmc/pull/3246>`_)
+- Remove top-level import of ``openmc.lib`` (`#3250 <https://github.com/openmc-dev/openmc/pull/3250>`_)
+- updated docker file to latest DAGMC (`#3251 <https://github.com/openmc-dev/openmc/pull/3251>`_)
+- Write mesh type as a dataset always (`#3253 <https://github.com/openmc-dev/openmc/pull/3253>`_)
+- Update to a consistent definition of the r2 parameter for cones (`#3254 <https://github.com/openmc-dev/openmc/pull/3254>`_)
+- Add Patrick Shriwise to technical committee (`#3255 <https://github.com/openmc-dev/openmc/pull/3255>`_)
+- Change `Zernike` documentation in polynomial.py (`#3258 <https://github.com/openmc-dev/openmc/pull/3258>`_)
+- Bug fix for Polygon 'yz' basis (`#3259 <https://github.com/openmc-dev/openmc/pull/3259>`_)
+- Add constant for invalid surface tokens. (`#3260 <https://github.com/openmc-dev/openmc/pull/3260>`_)
+- Update plots.py for PathLike to string handling error (`#3261 <https://github.com/openmc-dev/openmc/pull/3261>`_)
+- Fix bug in WeightWindowGenerator for empty energy bounds (`#3263 <https://github.com/openmc-dev/openmc/pull/3263>`_)
+- Update recognized thermal scattering materials for ENDF/B-VIII.1 (`#3267 <https://github.com/openmc-dev/openmc/pull/3267>`_)
+- simplify mechanism to detect if geometry entity is DAG (`#3269 <https://github.com/openmc-dev/openmc/pull/3269>`_)
+- Fix bug in ``Surface.normalize`` (`#3270 <https://github.com/openmc-dev/openmc/pull/3270>`_)
+- Tweak To Sphinx Install Documentation (`#3271 <https://github.com/openmc-dev/openmc/pull/3271>`_)
+- add continue feature for depletion (`#3272 <https://github.com/openmc-dev/openmc/pull/3272>`_)
+- Updates for building with NCrystal support (and fix CI) (`#3274 <https://github.com/openmc-dev/openmc/pull/3274>`_)
+- Added missing documentation (`#3275 <https://github.com/openmc-dev/openmc/pull/3275>`_)
+- fix the bug in function differentiate_mats() (`#3277 <https://github.com/openmc-dev/openmc/pull/3277>`_)
+- Fix the bug in the ``Material.from_xml_element`` function  (`#3278 <https://github.com/openmc-dev/openmc/pull/3278>`_)
+- Doc typo fix for rand ray mgxs (`#3280 <https://github.com/openmc-dev/openmc/pull/3280>`_)
+- Consolidate plotting capabilities in Model.plot (`#3282 <https://github.com/openmc-dev/openmc/pull/3282>`_)
+- adding non elastic MT number (`#3285 <https://github.com/openmc-dev/openmc/pull/3285>`_)
+- Fix ``Tabular.from_xml_element`` for histogram case (`#3287 <https://github.com/openmc-dev/openmc/pull/3287>`_)
+- Random Ray Source Region Refactor (`#3288 <https://github.com/openmc-dev/openmc/pull/3288>`_)
+- added terminal output showing compile options selected (`#3291 <https://github.com/openmc-dev/openmc/pull/3291>`_)
+- Random ray consistency changes (`#3298 <https://github.com/openmc-dev/openmc/pull/3298>`_)
+- Random Ray Explicit Void Treatment (`#3299 <https://github.com/openmc-dev/openmc/pull/3299>`_)
+- removed old command line scripts (`#3300 <https://github.com/openmc-dev/openmc/pull/3300>`_)
+- Avoid end of life ubuntu 20.04 in ReadTheDocs runner (`#3301 <https://github.com/openmc-dev/openmc/pull/3301>`_)
+- Avoid error in CI from newlines in commit message (`#3302 <https://github.com/openmc-dev/openmc/pull/3302>`_)
+- Handle reflex angles in CylinderSector (`#3303 <https://github.com/openmc-dev/openmc/pull/3303>`_)
+- Relax requirement on polar/azimuthal axis for wwinp conversion (`#3307 <https://github.com/openmc-dev/openmc/pull/3307>`_)
+- Add nuclides_to_ignore argument on Model export methods (`#3309 <https://github.com/openmc-dev/openmc/pull/3309>`_)
+- Enable overlap plotting from Python API (`#3310 <https://github.com/openmc-dev/openmc/pull/3310>`_)
+- Fix access order issues after applying tally results from `Model.run` (`#3313 <https://github.com/openmc-dev/openmc/pull/3313>`_)
+- Random Ray Void Accuracy Fix (`#3316 <https://github.com/openmc-dev/openmc/pull/3316>`_)
+- Fixes for problems encountered with version determination (`#3320 <https://github.com/openmc-dev/openmc/pull/3320>`_)
+- Clarify effect of CMAKE_BUILD_TYPE in docs (`#3321 <https://github.com/openmc-dev/openmc/pull/3321>`_)
+- Random Ray Linear Source Stability Improvement (`#3322 <https://github.com/openmc-dev/openmc/pull/3322>`_)
+- Mark a canonical URL for docs (`#3324 <https://github.com/openmc-dev/openmc/pull/3324>`_)
+- Random Ray Adjoint Source Logic Improvement (`#3325 <https://github.com/openmc-dev/openmc/pull/3325>`_)
+- Reflect multigroup MicroXS in IndependentOperator docstrings (`#3327 <https://github.com/openmc-dev/openmc/pull/3327>`_)
+- NCrystal becomes runtime rather than buildtime dependency (`#3328 <https://github.com/openmc-dev/openmc/pull/3328>`_)
+- Adding per kg as unit option on material functions (`#3329 <https://github.com/openmc-dev/openmc/pull/3329>`_)
+- Fix reading of horizontal field of view for ray-traced plots (`#3330 <https://github.com/openmc-dev/openmc/pull/3330>`_)
+- Manually fix broken links (`#3331 <https://github.com/openmc-dev/openmc/pull/3331>`_)
+- Update pugixml to v1.15 (`#3332 <https://github.com/openmc-dev/openmc/pull/3332>`_)
+- Determine nuclides correctly for DAGMC models in d1s.get_radionuclides (`#3335 <https://github.com/openmc-dev/openmc/pull/3335>`_)
+- openmc.Material.mix_materials() allows for keyword arguments (`#3336 <https://github.com/openmc-dev/openmc/pull/3336>`_)
+- Fix bug in ``Mesh::material_volumes`` for void materials (`#3337 <https://github.com/openmc-dev/openmc/pull/3337>`_)
+- added stable and unstable nuclides to the Chain object (`#3338 <https://github.com/openmc-dev/openmc/pull/3338>`_)
diff --git a/docs/source/releasenotes/index.rst b/docs/source/releasenotes/index.rst
index bde120589..2927cc458 100644
--- a/docs/source/releasenotes/index.rst
+++ b/docs/source/releasenotes/index.rst
@@ -7,6 +7,7 @@ Release Notes
 .. toctree::
   :maxdepth: 1
 
+  0.15.1
   0.15.0
   0.14.0
   0.13.3
diff --git a/docs/source/usersguide/basics.rst b/docs/source/usersguide/basics.rst
index 60b599588..c0bc2f976 100644
--- a/docs/source/usersguide/basics.rst
+++ b/docs/source/usersguide/basics.rst
@@ -53,7 +53,7 @@ eXtensible Markup Language (XML)
 Unlike many other Monte Carlo codes which use an arbitrary-format ASCII file
 with "cards" to specify a particular geometry, materials, and associated run
 settings, the input files for OpenMC are structured in a set of `XML
-<http://www.w3.org/XML/>`_ files. XML, which stands for eXtensible Markup
+<https://www.w3.org/XML/>`_ files. XML, which stands for eXtensible Markup
 Language, is a simple format that allows data to be exchanged efficiently
 between different programs and interfaces.
 
diff --git a/docs/source/usersguide/beginners.rst b/docs/source/usersguide/beginners.rst
index eef927b84..6876a3324 100644
--- a/docs/source/usersguide/beginners.rst
+++ b/docs/source/usersguide/beginners.rst
@@ -109,8 +109,8 @@ familiar with. Whether you plan on working in Linux, macOS, or Windows, you
 should be comfortable working in a command line environment. There are many
 resources online for learning command line environments. If you are using Linux
 or Mac OS X (also Unix-derived), `this tutorial
-<http://www.ee.surrey.ac.uk/Teaching/Unix/>`_ will help you get acquainted with
-commonly-used commands.
+<https://info-ee.surrey.ac.uk/Teaching/Unix/>`_ will help you get acquainted
+with commonly-used commands.
 
 To reap the full benefits of OpenMC, you should also have basic proficiency in
 the use of `Python <https://www.python.org/>`_, as OpenMC includes a rich Python
@@ -127,8 +127,8 @@ are hosted at `GitHub`_. In order to receive updates to the code directly,
 submit `bug reports`_, and perform other development tasks, you may want to sign
 up for a free account on GitHub. Once you have an account, you can follow `these
 instructions
-<https://docs.github.com/en/github/getting-started-with-github/set-up-git>`_ on
-how to set up your computer for using GitHub.
+<https://docs.github.com/en/get-started/getting-started-with-git/set-up-git>`_
+on how to set up your computer for using GitHub.
 
 If you are new to nuclear engineering, you may want to review the NRC's `Reactor
 Concepts Manual`_. This manual describes the basics of nuclear power for
@@ -149,9 +149,9 @@ and `Volume II`_. You may also find it helpful to review the following terms:
 .. _neutron transport: https://en.wikipedia.org/wiki/Neutron_transport
 .. _discretization: https://en.wikipedia.org/wiki/Discretization
 .. _constructive solid geometry: https://en.wikipedia.org/wiki/Constructive_solid_geometry
-.. _git: http://git-scm.com/
+.. _git: https://git-scm.com/
 .. _git tutorials: https://git-scm.com/doc
-.. _Reactor Concepts Manual: http://www.tayloredge.com/periodic/trivia/ReactorConcepts.pdf
+.. _Reactor Concepts Manual: https://www.tayloredge.com/periodic/trivia/ReactorConcepts.pdf
 .. _Volume I: https://www.standards.doe.gov/standards-documents/1000/1019-bhdbk-1993-v1
 .. _Volume II: https://www.standards.doe.gov/standards-documents/1000/1019-bhdbk-1993-v2
 .. _OpenMC source code: https://github.com/openmc-dev/openmc
diff --git a/docs/source/usersguide/data.rst b/docs/source/usersguide/data.rst
index a1611de63..2a9cd36db 100644
--- a/docs/source/usersguide/data.rst
+++ b/docs/source/usersguide/data.rst
@@ -12,9 +12,9 @@ responsible for specifying one or more of the following:
   file (commonly named ``cross_sections.xml``) contains a listing of other data
   files, in particular neutron cross sections, photon cross sections, and
   windowed multipole data. Each of those files, in turn, uses a `HDF5
-  <https://support.hdfgroup.org/documentation/index.html>`_ format (see :ref:`io_nuclear_data`). In
-  order to run transport simulations with continuous-energy cross sections, you
-  need to specify this file.
+  <https://www.hdfgroup.org/solutions/hdf5/>`_ format (see
+  :ref:`io_nuclear_data`). In order to run transport simulations with
+  continuous-energy cross sections, you need to specify this file.
 
 - **Depletion chain (XML)** -- A :ref:`depletion chain XML <io_depletion_chain>`
   file contains decay data, fission product yields, and information on what
@@ -69,7 +69,7 @@ If you want to persistently set the environment variables used to initialized
 the configuration, export them from your shell profile (``.profile`` or
 ``.bashrc`` in bash_).
 
-.. _bash: http://www.linuxfromscratch.org/blfs/view/6.3/postlfs/profile.html
+.. _bash: https://www.linuxfromscratch.org/blfs/view/6.3/postlfs/profile.html
 
 --------------------------------
 Continuous-Energy Cross Sections
@@ -290,16 +290,16 @@ calculation to be performed.  Therefore, at this point in time, OpenMC is not
 distributed with any pre-existing multigroup cross section libraries. However,
 if a multigroup library file is downloaded or generated, the path to the file
 needs to be specified as described in :ref:`usersguide_data_runtime`. For an
-example of how to create a multigroup library, see the `example notebook
-<https://nbviewer.org/github/openmc-dev/openmc-notebooks/blob/main/mgxs-part-i.ipynb>`_.
+example of how to create a multigroup library, see this `MG mode notebook
+<https://nbviewer.org/github/openmc-dev/openmc-notebooks/blob/main/mg-mode-part-i.ipynb>`_.
 
-.. _NJOY: http://www.njoy21.io/
+.. _NJOY: https://www.njoy21.io/
 .. _NNDC: https://www.nndc.bnl.gov/endf
 .. _MCNP: https://mcnp.lanl.gov
-.. _Serpent: https://serpent.vtt.fi/serpent/
+.. _Serpent: https://serpent.vtt.fi
 .. _ENDF/B: https://www.nndc.bnl.gov/endf-b7.1/acefiles.html
 .. _JEFF: https://www.oecd-nea.org/dbdata/jeff/jeff33/
-.. _TENDL: https://tendl.web.psi.ch/tendl_2017/tendl2017.html
+.. _TENDL: https://tendl.web.psi.ch/tendl_2023/tendl2023.html
 .. _Seltzer and Berger: https://doi.org/10.1016/0092-640X(86)90014-8
 .. _NIST ESTAR database: https://physics.nist.gov/PhysRefData/Star/Text/ESTAR.html
 .. _Biggs et al.: https://doi.org/10.1016/0092-640X(75)90030-3
diff --git a/docs/source/usersguide/decay_sources.rst b/docs/source/usersguide/decay_sources.rst
index e61220696..a228f8e66 100644
--- a/docs/source/usersguide/decay_sources.rst
+++ b/docs/source/usersguide/decay_sources.rst
@@ -47,14 +47,14 @@ Direct 1-Step (D1S) Calculations
 ================================
 
 OpenMC also includes built-in capability for performing shutdown dose rate
-calculations using the `direct 1-step <https://10.1016/S0920-3796(01)00188-0>`_
-(D1S) method. In this method, a single coupled neutron--photon transport
-calculation is used where the prompt photon production is replaced with photons
-produced from the decay of radionuclides in an activated material. To obtain
-properly scaled results, it is also necessary to apply time correction factors.
-A normal neutron transport calculation can be extended to a D1S calculation with
-a few helper functions. First, import the ``d1s`` submodule, which is part of
-:mod:`openmc.deplete`::
+calculations using the `direct 1-step
+<https://doi.org/10.1016/S0920-3796(01)00188-0>`_ (D1S) method. In this method,
+a single coupled neutron--photon transport calculation is used where the prompt
+photon production is replaced with photons produced from the decay of
+radionuclides in an activated material. To obtain properly scaled results, it is
+also necessary to apply time correction factors. A normal neutron transport
+calculation can be extended to a D1S calculation with a few helper functions.
+First, import the ``d1s`` submodule, which is part of :mod:`openmc.deplete`::
 
     from openmc.deplete import d1s
 
diff --git a/docs/source/usersguide/install.rst b/docs/source/usersguide/install.rst
index 0aa561ee3..d294770e0 100644
--- a/docs/source/usersguide/install.rst
+++ b/docs/source/usersguide/install.rst
@@ -8,56 +8,35 @@ Installation and Configuration
 
 .. _install_conda:
 
---------------------------------------------------
-Installing on Linux/Mac with Mamba and conda-forge
---------------------------------------------------
+----------------------------------
+Installing on Linux/Mac with Conda
+----------------------------------
 
-`Conda <https://conda.io/en/latest/>`_ is an open source package management
-systems and environments management system for installing multiple versions of
+`Conda`_ is an open source package management
+system and environments management system for installing multiple versions of
 software packages and their dependencies and switching easily between them.
-`Mamba <https://mamba.readthedocs.io/en/latest/>`_ is a cross-platform package
-manager and is compatible with `conda` packages.
-OpenMC can be installed in a `conda` environment with `mamba`.
-First, `conda` should be installed with one of the following installers:
-`Miniconda <https://docs.conda.io/en/latest/miniconda.html>`_,
-`Anaconda <https://www.anaconda.com/>`_, or `Miniforge <https://github.com/conda-forge/miniforge>`_.
-Once you have `conda` installed on your system, OpenMC can be installed via the
-`conda-forge` channel with `mamba`.
+OpenMC can be installed in a `conda` environment. First, `conda` should be
+`installed <https://www.anaconda.com/docs/getting-started/getting-started>`_
+with either Anaconda Distribution or Miniconda. Once you have `conda` installed
+on your system, OpenMC can be installed via the `conda-forge` channel.
 
 First, add the `conda-forge` channel with:
 
 .. code-block:: sh
 
     conda config --add channels conda-forge
+    conda config --set channel_priority strict
 
-Then create and activate a new conda enviroment called `openmc-env` in
-which to install OpenMC.
+Then create and activate a new conda enviroment called `openmc-env` (or whatever
+you wish) with OpenMC installed.
 
 .. code-block:: sh
 
-    conda create -n openmc-env
+    conda create --name openmc-env openmc
     conda activate openmc-env
 
-Then install `mamba`, which will be used to install OpenMC.
-
-.. code-block:: sh
-
-    conda install mamba
-
-To list the versions of OpenMC that are available on the `conda-forge` channel,
-in your terminal window or an Anaconda Prompt run:
-
-.. code-block:: sh
-
-    mamba search openmc
-
-OpenMC can then be installed with:
-
-.. code-block:: sh
-
-    mamba install openmc
-
-You are now in a conda environment called `openmc-env` that has OpenMC installed.
+You are now in a conda environment called `openmc-env` that has OpenMC
+installed.
 
 -------------------------------------------
 Installing on Linux/Mac/Windows with Docker
@@ -557,7 +536,7 @@ distributions.
       notebook
       <https://nbviewer.jupyter.org/github/openmc-dev/openmc-notebooks/blob/main/pandas-dataframes.ipynb>`_.
 
-   `h5py <http://www.h5py.org/>`_
+   `h5py <https://www.h5py.org/>`_
       h5py provides Python bindings to the HDF5 library. Since OpenMC outputs
       various HDF5 files, h5py is needed to provide access to data within these
       files from Python.
@@ -610,5 +589,6 @@ wrapper is used when installing h5py:
 
     CC=<path to mpicc> HDF5_MPI=ON HDF5_DIR=<path to HDF5> python -m pip install --no-binary=h5py h5py
 
+.. _Mamba: https://mamba.readthedocs.io/en/latest/
 .. _Conda: https://conda.io/en/latest/
 .. _pip: https://pip.pypa.io/en/stable/
diff --git a/docs/source/usersguide/parallel.rst b/docs/source/usersguide/parallel.rst
index e00ed5e97..ecbdd20b6 100644
--- a/docs/source/usersguide/parallel.rst
+++ b/docs/source/usersguide/parallel.rst
@@ -101,5 +101,5 @@ performance on a machine when running in parallel:
      settings = openmc.Settings()
      settings.output = {'tallies': False}
 
-.. _Haswell-EP: http://www.anandtech.com/show/8423/intel-xeon-e5-version-3-up-to-18-haswell-ep-cores-/4
+.. _Haswell-EP: https://www.anandtech.com/show/8423/intel-xeon-e5-version-3-up-to-18-haswell-ep-cores-/4
 .. _bound: https://github.com/pmodels/mpich/blob/main/doc/wiki/how_to/Using_the_Hydra_Process_Manager.md#process-core-binding
diff --git a/include/openmc/random_dist.h b/include/openmc/random_dist.h
index 11e88ab8c..32f055b53 100644
--- a/include/openmc/random_dist.h
+++ b/include/openmc/random_dist.h
@@ -64,8 +64,8 @@ extern "C" double watt_spectrum(double a, double b, uint64_t* seed);
 //! Samples from a normal distribution with a given mean and standard deviation
 //! The PDF is defined as s(x) = (1/2*sigma*sqrt(2) * e-((mu-x)/2*sigma)^2
 //! Its sampled according to
-//! http://www-pdg.lbl.gov/2009/reviews/rpp2009-rev-monte-carlo-techniques.pdf
-//! section 33.4.4
+//! https://pdg.lbl.gov/2023/reviews/rpp2023-rev-monte-carlo-techniques.pdf
+//! section 42.4.4
 //!
 //! \param mean mean of the Gaussian distribution
 //! \param std_dev standard deviation of the Gaussian distribution
diff --git a/openmc/data/ace.py b/openmc/data/ace.py
index 1247593a8..6ccb76c92 100644
--- a/openmc/data/ace.py
+++ b/openmc/data/ace.py
@@ -9,9 +9,9 @@ unresolved resonance region, and tabulated data in the fast region. After the
 ENDF data has been reconstructed and Doppler-broadened, the ACER module
 generates ACE-format cross sections.
 
-.. _MCNP: https://laws.lanl.gov/vhosts/mcnp.lanl.gov/
-.. _NJOY: http://t2.lanl.gov/codes.shtml
-.. _ENDF: http://www.nndc.bnl.gov/endf
+.. _MCNP: https://mcnp.lanl.gov/
+.. _NJOY: https://www.njoy21.io/
+.. _ENDF: https://www.nndc.bnl.gov/endf-library/
 
 """
 
diff --git a/openmc/data/endf.py b/openmc/data/endf.py
index 63cd092eb..eca374469 100644
--- a/openmc/data/endf.py
+++ b/openmc/data/endf.py
@@ -1,9 +1,9 @@
 """Module for parsing and manipulating data from ENDF evaluations.
 
-All the classes and functions in this module are based on document
-ENDF-102 titled "Data Formats and Procedures for the Evaluated Nuclear
-Data File ENDF-6". The latest version from June 2009 can be found at
-http://www-nds.iaea.org/ndspub/documents/endf/endf102/endf102.pdf
+All the classes and functions in this module are based on document ENDF-102
+titled "Data Formats and Procedures for the Evaluated Nuclear Data File ENDF-6".
+The version from September 2023 can be found at
+https://www.nndc.bnl.gov/endfdocs/ENDF-102-2023.pdf
 
 """
 import io
diff --git a/openmc/data/fission_energy.py b/openmc/data/fission_energy.py
index 870881dba..3c7998ee2 100644
--- a/openmc/data/fission_energy.py
+++ b/openmc/data/fission_energy.py
@@ -44,7 +44,7 @@ class FissionEnergyRelease(EqualityMixin):
     ----------
     [1] D. G. Madland, "Total prompt energy release in the neutron-induced
     fission of ^235U, ^238U, and ^239Pu", Nuclear Physics A 772:113--137 (2006).
-    <http://dx.doi.org/10.1016/j.nuclphysa.2006.03.013>
+    <https://doi.org/10.1016/j.nuclphysa.2006.03.013>
 
     Attributes
     ----------
diff --git a/openmc/deplete/integrators.py b/openmc/deplete/integrators.py
index a877c4900..50810c88a 100644
--- a/openmc/deplete/integrators.py
+++ b/openmc/deplete/integrators.py
@@ -446,7 +446,7 @@ class SICELIIntegrator(SIIntegrator):
     <https://doi.org/10.1137/05063042>`_.
 
     Detailed algorithm can be found in section 3.2 in `Colin Josey's thesis
-    <http://hdl.handle.net/1721.1/113721>`_.
+    <https://dspace.mit.edu/handle/1721.1/113721>`_.
     """
     _num_stages = 2
 
@@ -512,7 +512,7 @@ class SILEQIIntegrator(SIIntegrator):
     <https://doi.org/10.1137/05063042>`_.
 
     Detailed algorithm can be found in Section 3.2 in `Colin Josey's thesis
-    <http://hdl.handle.net/1721.1/113721>`_.
+    <https://dspace.mit.edu/handle/1721.1/113721>`_.
     """
     _num_stages = 2
 
diff --git a/openmc/examples.py b/openmc/examples.py
index 8d4bd1f04..5578d513e 100644
--- a/openmc/examples.py
+++ b/openmc/examples.py
@@ -11,8 +11,9 @@ def pwr_pin_cell() -> openmc.Model:
 
     This model is a single fuel pin with 2.4 w/o enriched UO2 corresponding to a
     beginning-of-cycle condition and borated water. The specifications are from
-    the `BEAVRS <https://crpg.mit.edu/research/beavrs>`_ benchmark. Note that the
-    number of particles/batches is initially set very low for testing purposes.
+    the `BEAVRS <https://crpg.mit.edu/research/beavrs>`_ benchmark. Note that
+    the number of particles/batches is initially set very low for testing
+    purposes.
 
     Returns
     -------
diff --git a/openmc/mgxs/__init__.py b/openmc/mgxs/__init__.py
index 6a29a8383..901c1eabb 100644
--- a/openmc/mgxs/__init__.py
+++ b/openmc/mgxs/__init__.py
@@ -14,7 +14,7 @@ GROUP_STRUCTURES = {}
 - "SHEM-361_" designed for LWR analysis to eliminate self-shielding calculations
   of thermal resonances ([HFA2005]_, [SAN2007]_, [HEB2008]_)
 - "SCALE-X" (where X is 44 which is designed for criticality analysis
-  and 252 is designed for thermal reactors) for the SCALE code suite 
+  and 252 is designed for thermal reactors) for the SCALE code suite
   ([ZAL1999]_ and [REARDEN2013]_)
 - "MPACT-X" (where X is 51 (PWR), 60 (BWR), 69 (Magnox)) from the MPACT_ reactor
   physics code ([KIM2019]_ and [KIM2020]_)
@@ -28,12 +28,12 @@ GROUP_STRUCTURES = {}
 .. _SCALE252: https://oecd-nea.org/science/wpncs/amct/workingarea/meeting2013/EGAMCT2013_08.pdf
 .. _MPACT: https://vera.ornl.gov/mpact/
 .. _XMAS-172: https://www-nds.iaea.org/wimsd/energy.htm
-.. _SHEM-361: https://www.polymtl.ca/merlin/downloads/FP214.pdf
+.. _SHEM-361: http://merlin.polymtl.ca/downloads/FP214.pdf
 .. _activation: https://fispact.ukaea.uk/wiki/Keyword:GETXS
 .. _VITAMIN-J-42: https://www.oecd-nea.org/dbdata/nds_jefreports/jefreport-10.pdf
 .. _CCFE-709: https://fispact.ukaea.uk/wiki/CCFE-709_group_structure
 .. _UKAEA-1102: https://fispact.ukaea.uk/wiki/UKAEA-1102_group_structure
-.. _ECCO-1968: http://serpent.vtt.fi/mediawiki/index.php/ECCO_1968-group_structure
+.. _ECCO-1968: https://serpent.vtt.fi/mediawiki/index.php/ECCO_1968-group_structure
 .. [SAR1990] Sartori, E., OECD/NEA Data Bank: Standard Energy Group Structures
    of Cross Section Libraries for Reactor Shielding, Reactor Cell and Fusion
    Neutronics Applications: VITAMIN-J, ECCO-33, ECCO-2000 and XMAS JEF/DOC-315
diff --git a/openmc/tallies.py b/openmc/tallies.py
index 585e54a7e..ebb313551 100644
--- a/openmc/tallies.py
+++ b/openmc/tallies.py
@@ -1502,7 +1502,7 @@ class Tally(IDManagerMixin):
                 df.columns = pd.MultiIndex.from_tuples(columns)
 
         # Modify the df.to_string method so that it prints formatted strings.
-        # Credit to http://stackoverflow.com/users/3657742/chrisb for this trick
+        # Credit to https://stackoverflow.com/users/3657742/chrisb for this trick
         df.to_string = partial(df.to_string, float_format=float_format.format)
 
         return df
diff --git a/src/math_functions.cpp b/src/math_functions.cpp
index ba1c6c3db..5469b56c8 100644
--- a/src/math_functions.cpp
+++ b/src/math_functions.cpp
@@ -650,7 +650,7 @@ void calc_zn(int n, double rho, double phi, double zn[])
   // ===========================================================================
   // Determine vector of sin(n*phi) and cos(n*phi). This takes advantage of the
   // following recurrence relations so that only a single sin/cos have to be
-  // evaluated (http://mathworld.wolfram.com/Multiple-AngleFormulas.html)
+  // evaluated (https://mathworld.wolfram.com/Multiple-AngleFormulas.html)
   //
   // sin(nx) = 2 cos(x) sin((n-1)x) - sin((n-2)x)
   // cos(nx) = 2 cos(x) cos((n-1)x) - cos((n-2)x)
diff --git a/tools/dev/generate_release_notes.py b/tools/dev/generate_release_notes.py
new file mode 100644
index 000000000..dee46ac49
--- /dev/null
+++ b/tools/dev/generate_release_notes.py
@@ -0,0 +1,17 @@
+import argparse
+import re
+import subprocess
+
+parser = argparse.ArgumentParser()
+parser.add_argument('tag')
+args = parser.parse_args()
+
+proc = subprocess.run(["git", "log", "--format=%s", f"{args.tag}.."], capture_output=True, text=True)
+data = []
+for line in proc.stdout.rstrip().split('\n'):
+    m = re.match(r'(.*) \(\#(\d+)\)', line)
+    if m is not None:
+        data.append(m.groups())
+    
+for comment, num in sorted(data, key=lambda x: int(x[1])):
+    print(f'- {comment} (`#{num} <https://github.com/openmc-dev/openmc/pull/{num}>`_)')

From 58f2a21771a3c50100cef8f8a70f67302542f4d9 Mon Sep 17 00:00:00 2001
From: Adam Nelson <1037107+nelsonag@users.noreply.github.com>
Date: Fri, 14 Mar 2025 11:57:33 -0500
Subject: [PATCH 2277/2654] Hotfix: Remove errant openmc.Settings.random_ray
 check and removed of not useful warning in MG mode (#3344)

---
 openmc/settings.py |  1 -
 src/scattdata.cpp  | 10 ----------
 2 files changed, 11 deletions(-)

diff --git a/openmc/settings.py b/openmc/settings.py
index ead2c0d00..17c24ba81 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -1174,7 +1174,6 @@ class Settings:
                             raise ValueError(
                                 f'Invalid domain type: {type(domain)}. Expected '
                                 'openmc.Material, openmc.Cell, or openmc.Universe.')
-                cv.check_type('adjoint', value, bool)
             elif key == 'sample_method':
                 cv.check_value('sample method', value,
                                ('prng', 'halton'))
diff --git a/src/scattdata.cpp b/src/scattdata.cpp
index 813f9e19b..21b18cbd9 100644
--- a/src/scattdata.cpp
+++ b/src/scattdata.cpp
@@ -37,22 +37,12 @@ void ScattData::base_init(int order, const xt::xtensor<int, 1>& in_gmin,
     mult[gin] = in_mult[gin];
 
     // Make sure the multiplicity does not have 0s
-    unsigned long int num_converted = 0;
     for (int go = 0; go < mult[gin].size(); go++) {
       if (mult[gin][go] == 0.) {
-        num_converted += 1;
         mult[gin][go] = 1.;
       }
     }
 
-    if (num_converted > 0) {
-      // Raise a warning to the user if we did have to do the conversion
-      std::string msg =
-        std::to_string(num_converted) +
-        " entries in the Multiplicity Matrix were changed from 0 to 1";
-      warning(msg);
-    }
-
     // Make sure the energy is normalized
     double norm = std::accumulate(energy[gin].begin(), energy[gin].end(), 0.);
 

From 08e7043f8d0cf3bfce5b47d468442079dd17de03 Mon Sep 17 00:00:00 2001
From: Kevin Sawatzky <66632997+nuclearkevin@users.noreply.github.com>
Date: Tue, 18 Mar 2025 16:19:15 -0500
Subject: [PATCH 2278/2654] Throw an error if a spherical harmonics order
 larger than 10 is provided. (#3354)

---
 src/tallies/filter_sph_harm.cpp | 3 +++
 1 file changed, 3 insertions(+)

diff --git a/src/tallies/filter_sph_harm.cpp b/src/tallies/filter_sph_harm.cpp
index 7441f32fb..1989e6ef1 100644
--- a/src/tallies/filter_sph_harm.cpp
+++ b/src/tallies/filter_sph_harm.cpp
@@ -25,6 +25,9 @@ void SphericalHarmonicsFilter::set_order(int order)
   if (order < 0) {
     throw std::invalid_argument {
       "Spherical harmonics order must be non-negative."};
+  } else if (order > 10) {
+    throw std::invalid_argument {"Spherical harmonics orders greater than 10 "
+                                 "are currently not supported!"};
   }
   order_ = order;
   n_bins_ = (order_ + 1) * (order_ + 1);

From 18d9f9755190fc8bdcf51d6d5dba67531a42ce5d Mon Sep 17 00:00:00 2001
From: Joffrey Dorville <54550047+JoffreyDorville@users.noreply.github.com>
Date: Tue, 18 Mar 2025 16:25:48 -0500
Subject: [PATCH 2279/2654] Correcting the size of the displacement list in the
 SourceSite MPI interface object (#3356)

---
 src/initialize.cpp | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/src/initialize.cpp b/src/initialize.cpp
index 4b821bee1..c5803976b 100644
--- a/src/initialize.cpp
+++ b/src/initialize.cpp
@@ -157,7 +157,7 @@ void initialize_mpi(MPI_Comm intracomm)
 
   // Create bank datatype
   SourceSite b;
-  MPI_Aint disp[10];
+  MPI_Aint disp[11];
   MPI_Get_address(&b.r, &disp[0]);
   MPI_Get_address(&b.u, &disp[1]);
   MPI_Get_address(&b.E, &disp[2]);

From e23760b0264c66fb7bb373aa0596801e5209d920 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 19 Mar 2025 09:09:47 -0500
Subject: [PATCH 2280/2654] Add release notes for 0.15.2 (#3357)

---
 docs/source/releasenotes/0.15.2.rst | 20 ++++++++++++++++++++
 docs/source/releasenotes/index.rst  |  1 +
 2 files changed, 21 insertions(+)
 create mode 100644 docs/source/releasenotes/0.15.2.rst

diff --git a/docs/source/releasenotes/0.15.2.rst b/docs/source/releasenotes/0.15.2.rst
new file mode 100644
index 000000000..e72df37d3
--- /dev/null
+++ b/docs/source/releasenotes/0.15.2.rst
@@ -0,0 +1,20 @@
+====================
+What's New in 0.15.2
+====================
+
+.. currentmodule:: openmc
+
+-------
+Summary
+-------
+
+This is a hotfix release to fix an MPI-related bug that was inadvertently
+introduced in the prior release.
+
+---------------------------
+Bug Fixes and Small Changes
+---------------------------
+
+- Remove errant ``openmc.Settings.random_ray`` check and removed of not useful warning in MG mode (`#3344 <https://github.com/openmc-dev/openmc/pull/3344>`_)
+- Throw an error if a spherical harmonics order larger than 10 is provided. (`#3354 <https://github.com/openmc-dev/openmc/pull/3354>`_)
+- Correcting the size of the displacement list in the SourceSite MPI interface object (`#3356 <https://github.com/openmc-dev/openmc/pull/3356>`_)
diff --git a/docs/source/releasenotes/index.rst b/docs/source/releasenotes/index.rst
index 2927cc458..d24b83f9e 100644
--- a/docs/source/releasenotes/index.rst
+++ b/docs/source/releasenotes/index.rst
@@ -7,6 +7,7 @@ Release Notes
 .. toctree::
   :maxdepth: 1
 
+  0.15.2
   0.15.1
   0.15.0
   0.14.0

From 277390b220b363036193845302efdeb5f70387b1 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Thu, 20 Mar 2025 08:00:34 -0400
Subject: [PATCH 2281/2654] added kg units to doc string in results class
 (#3358)

---
 openmc/deplete/results.py | 8 ++++----
 1 file changed, 4 insertions(+), 4 deletions(-)

diff --git a/openmc/deplete/results.py b/openmc/deplete/results.py
index 132ec572c..7427abd73 100644
--- a/openmc/deplete/results.py
+++ b/openmc/deplete/results.py
@@ -113,9 +113,9 @@ class Results(list):
         ----------
         mat : openmc.Material, str
             Material object or material id to evaluate
-        units : {'Bq', 'Bq/g', 'Bq/cm3'}
+        units : {'Bq', 'Bq/g', 'Bq/kg', 'Bq/cm3'}
             Specifies the type of activity to return, options include total
-            activity [Bq], specific [Bq/g] or volumetric activity [Bq/cm3].
+            activity [Bq], specific [Bq/g, Bq/kg] or volumetric activity [Bq/cm3].
         by_nuclide : bool
             Specifies if the activity should be returned for the material as a
             whole or per nuclide. Default is False.
@@ -231,9 +231,9 @@ class Results(list):
         ----------
         mat : openmc.Material, str
             Material object or material id to evaluate.
-        units : {'W', 'W/g', 'W/cm3'}
+        units : {'W', 'W/g', 'W/kg', 'W/cm3'}
             Specifies the units of decay heat to return. Options include total
-            heat [W], specific [W/g] or volumetric heat [W/cm3].
+            heat [W], specific [W/g, W/kg] or volumetric heat [W/cm3].
         by_nuclide : bool
             Specifies if the decay heat should be returned for the material as a
             whole or per nuclide. Default is False.

From 3f3649da086fd296cde37dcda9218514f8c16c98 Mon Sep 17 00:00:00 2001
From: Ahnaf Tahmid Chowdhury <ahnaf-tahmid@outlook.com>
Date: Sat, 22 Mar 2025 03:33:28 +0600
Subject: [PATCH 2282/2654] Handle Missing Tags in Versioning by Setting
 Default to 0 (#3359)

Co-authored-by: Micah Gale <mgale@fastmail.com>
Co-authored-by: Patrick Shriwise <pshriwise@gmail.com>
---
 cmake/Modules/GetVersionFromGit.cmake | 10 ++++++++--
 docs/source/devguide/workflow.rst     | 24 ++++++++++++++++++++++++
 2 files changed, 32 insertions(+), 2 deletions(-)

diff --git a/cmake/Modules/GetVersionFromGit.cmake b/cmake/Modules/GetVersionFromGit.cmake
index 42b3725f2..3736955ff 100644
--- a/cmake/Modules/GetVersionFromGit.cmake
+++ b/cmake/Modules/GetVersionFromGit.cmake
@@ -37,11 +37,17 @@ if(EXISTS "${CMAKE_SOURCE_DIR}/.git" AND GIT_FOUND)
         WORKING_DIRECTORY ${CMAKE_SOURCE_DIR}
         OUTPUT_VARIABLE VERSION_STRING
         OUTPUT_STRIP_TRAILING_WHITESPACE
+        ERROR_QUIET
     )
 
-    # If no tags are found, instruct user to fetch them
+    # If no tags are found, set version to 0 and show a warning
     if(VERSION_STRING STREQUAL "")
-        message(FATAL_ERROR "No git tags found. Run 'git fetch --tags' and try again.")
+        set(VERSION_STRING "0.0.0")
+        message(WARNING 
+            "No git tags found. Version set to 0.0.0.\n"
+            "Run 'git fetch --tags' to ensure proper versioning.\n"
+            "For more information, see OpenMC developer documentation."
+        )
     endif()
 
     # Extract the commit hash
diff --git a/docs/source/devguide/workflow.rst b/docs/source/devguide/workflow.rst
index d600c236f..c49326a20 100644
--- a/docs/source/devguide/workflow.rst
+++ b/docs/source/devguide/workflow.rst
@@ -91,6 +91,30 @@ features and bug fixes. The general steps for contributing are as follows:
 6. After the pull request has been thoroughly vetted, it is merged back into the
    *develop* branch of openmc-dev/openmc.
 
+Setting Up Upstream Tracking (Required for Versioning)
+------------------------------------------------------
+
+By default, your fork **does not** include tags from the upstream OpenMC repository.  
+OpenMC relies on `git describe --tags` for versioning in source builds, and missing tags can lead  
+to incorrect version detection (i.e., ``0.0.0``). To ensure proper versioning, follow these steps:
+
+1. **Add the Upstream Repository**  
+   This allows you to fetch updates from the main OpenMC repository.
+
+   .. code-block:: sh
+
+       git remote add upstream https://github.com/openmc-dev/openmc.git
+
+2. **Fetch and Push Tags**  
+   Retrieve tags from the upstream repository and update your fork:
+
+   .. code-block:: sh
+
+       git fetch --tags upstream
+       git push --tags origin
+
+This ensures that both your **local** and **remote** fork have the correct versioning information.
+
 Private Development
 -------------------
 

From 24655dfd5db9fced3baad9ccc7197615e25ef520 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Mon, 31 Mar 2025 09:29:30 -0500
Subject: [PATCH 2283/2654] Report plot ID instead of index for unsupported
 plot types in random ray mode (#3361)

---
 src/random_ray/random_ray_simulation.cpp | 7 ++++---
 1 file changed, 4 insertions(+), 3 deletions(-)

diff --git a/src/random_ray/random_ray_simulation.cpp b/src/random_ray/random_ray_simulation.cpp
index bf01d2f57..36517bee4 100644
--- a/src/random_ray/random_ray_simulation.cpp
+++ b/src/random_ray/random_ray_simulation.cpp
@@ -303,20 +303,21 @@ void validate_random_ray_inputs()
   for (int p = 0; p < model::plots.size(); p++) {
 
     // Get handle to OpenMC plot object
-    Plot* openmc_plot = dynamic_cast<Plot*>(model::plots[p].get());
+    const auto& openmc_plottable = model::plots[p];
+    Plot* openmc_plot = dynamic_cast<Plot*>(openmc_plottable.get());
 
     // Random ray plots only support voxel plots
     if (!openmc_plot) {
       warning(fmt::format(
         "Plot {} will not be used for end of simulation data plotting -- only "
         "voxel plotting is allowed in random ray mode.",
-        p));
+        openmc_plottable->id()));
       continue;
     } else if (openmc_plot->type_ != Plot::PlotType::voxel) {
       warning(fmt::format(
         "Plot {} will not be used for end of simulation data plotting -- only "
         "voxel plotting is allowed in random ray mode.",
-        p));
+        openmc_plottable->id()));
       continue;
     }
   }

From b67771a3d0451be6857e8459a6d2a15a476ec994 Mon Sep 17 00:00:00 2001
From: John Tramm <john.tramm@gmail.com>
Date: Tue, 1 Apr 2025 21:47:49 -0500
Subject: [PATCH 2284/2654] Random Ray AutoMagic Setup (#3351)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 .github/workflows/ci.yml                      |   5 +
 docs/source/io_formats/settings.rst           |   8 +
 docs/source/pythonapi/deplete.rst             |   8 +-
 docs/source/usersguide/random_ray.rst         | 212 +++++++-
 docs/source/usersguide/variance_reduction.rst |  75 +--
 .../openmc/random_ray/flat_source_domain.h    |  10 +
 openmc/model/model.py                         | 482 ++++++++++++++++++
 openmc/settings.py                            |  17 +-
 src/random_ray/flat_source_domain.cpp         |  55 ++
 src/random_ray/random_ray_simulation.cpp      |  44 +-
 src/settings.cpp                              |   9 +
 .../mgxs_library_ce_to_mg/test.py             |   9 +-
 .../mgxs_library_ce_to_mg_nuclides/test.py    |   9 +-
 .../random_ray_auto_convert/__init__.py       |   0
 .../infinite_medium/inputs_true.dat           |  64 +++
 .../infinite_medium/results_true.dat          |   2 +
 .../material_wise/inputs_true.dat             |  64 +++
 .../material_wise/results_true.dat            |   2 +
 .../stochastic_slab/inputs_true.dat           |  64 +++
 .../stochastic_slab/results_true.dat          |   2 +
 .../random_ray_auto_convert/test.py           |  54 ++
 .../__init__.py                               |   0
 .../inputs_true.dat                           |  65 +++
 .../results_true.dat                          |   2 +
 .../random_ray_diagonal_stabilization/test.py |  61 +++
 tools/ci/gha-install-dagmc.sh                 |   4 +-
 26 files changed, 1239 insertions(+), 88 deletions(-)
 create mode 100644 tests/regression_tests/random_ray_auto_convert/__init__.py
 create mode 100644 tests/regression_tests/random_ray_auto_convert/infinite_medium/inputs_true.dat
 create mode 100644 tests/regression_tests/random_ray_auto_convert/infinite_medium/results_true.dat
 create mode 100644 tests/regression_tests/random_ray_auto_convert/material_wise/inputs_true.dat
 create mode 100644 tests/regression_tests/random_ray_auto_convert/material_wise/results_true.dat
 create mode 100644 tests/regression_tests/random_ray_auto_convert/stochastic_slab/inputs_true.dat
 create mode 100644 tests/regression_tests/random_ray_auto_convert/stochastic_slab/results_true.dat
 create mode 100644 tests/regression_tests/random_ray_auto_convert/test.py
 create mode 100644 tests/regression_tests/random_ray_diagonal_stabilization/__init__.py
 create mode 100644 tests/regression_tests/random_ray_diagonal_stabilization/inputs_true.dat
 create mode 100644 tests/regression_tests/random_ray_diagonal_stabilization/results_true.dat
 create mode 100644 tests/regression_tests/random_ray_diagonal_stabilization/test.py

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index 877ec6833..38a49b602 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -81,6 +81,11 @@ jobs:
       RDMAV_FORK_SAFE: 1
 
     steps:
+      - name: Setup cmake
+        uses: jwlawson/actions-setup-cmake@v2
+        with:
+          cmake-version: '3.31'
+
       - name: Checkout repository
         uses: actions/checkout@v4
         with:
diff --git a/docs/source/io_formats/settings.rst b/docs/source/io_formats/settings.rst
index a59d08049..cef9bf911 100644
--- a/docs/source/io_formats/settings.rst
+++ b/docs/source/io_formats/settings.rst
@@ -487,6 +487,14 @@ found in the :ref:`random ray user guide <random_ray>`.
 
         :type:
           The type of the domain. Can be ``material``, ``cell``, or ``universe``.
+  
+  :diagonal_stabilization_rho:
+    The rho factor for use with diagonal stabilization. This technique is
+    applied when negative diagonal (in-group) elements are detected in
+    the scattering matrix of input MGXS data, which is a common feature
+    of transport corrected MGXS data.
+
+    *Default*: 1.0
 
 ----------------------------------
 ``<resonance_scattering>`` Element
diff --git a/docs/source/pythonapi/deplete.rst b/docs/source/pythonapi/deplete.rst
index 5d02fa6b9..3967f1a18 100644
--- a/docs/source/pythonapi/deplete.rst
+++ b/docs/source/pythonapi/deplete.rst
@@ -78,20 +78,18 @@ A minimal example for performing depletion would be:
     >>> import openmc.deplete
     >>> geometry = openmc.Geometry.from_xml()
     >>> settings = openmc.Settings.from_xml()
-    >>> model = openmc.model.Model(geometry, settings)
+    >>> model = openmc.Model(geometry, settings)
 
     # Representation of a depletion chain
     >>> chain_file = "chain_casl.xml"
-    >>> operator = openmc.deplete.CoupledOperator(
-    ...     model, chain_file)
+    >>> operator = openmc.deplete.CoupledOperator(model, chain_file)
 
     # Set up 5 time steps of one day each
     >>> dt = [24 * 60 * 60] * 5
     >>> power = 1e6  # constant power of 1 MW
 
     # Deplete using mid-point predictor-corrector
-    >>> cecm = openmc.deplete.CECMIntegrator(
-    ...     operator, dt, power)
+    >>> cecm = openmc.deplete.CECMIntegrator(operator, dt, power)
     >>> cecm.integrate()
 
 Internal Classes and Functions
diff --git a/docs/source/usersguide/random_ray.rst b/docs/source/usersguide/random_ray.rst
index f28aed784..ce9821196 100644
--- a/docs/source/usersguide/random_ray.rst
+++ b/docs/source/usersguide/random_ray.rst
@@ -11,6 +11,76 @@ active batches <usersguide_batches>`. However, there are a couple of settings
 that are unique to the random ray solver and a few areas that the random ray
 run strategy differs, both of which will be described in this section.
 
+.. _quick_start:
+
+-----------
+Quick Start
+-----------
+
+While this page contains a comprehensive guide to the random ray solver and
+its various parameters, the process of converting an existing continuous energy
+Monte Carlo model to a random ray model can be largely automated via convenience
+functions in OpenMC's Python interface::
+
+  # Define continuous energy model as normal
+  model = openmc.Model()
+  ...
+
+  # Convert model to multigroup (will auto-generate MGXS library if needed)
+  model.convert_to_multigroup()
+
+  # Convert model to random ray and initialize random ray parameters
+  # to reasonable defaults based on the specifics of the geometry
+  model.convert_to_random_ray()
+
+  # (Optional) Overlay source region decomposition mesh to improve fidelity of the
+  # random ray solver. Adjust 'n' for fidelity vs runtime.
+  n = 100
+  mesh = openmc.RegularMesh()
+  mesh.dimension = (n, n, n)
+  mesh.lower_left = model.geometry.bounding_box.lower_left
+  mesh.upper_right = model.geometry.bounding_box.upper_right
+  model.settings.random_ray['source_region_meshes'] = [(mesh, [model.geometry.root_universe])]
+
+  # (Optional) Improve fidelity of the random ray solver by enabling linear sources
+  model.settings.random_ray['source_shape'] = 'linear'
+
+  # (Optional) Increase the number of rays/batch, to reduce uncertainty
+  model.settings.particles = 500
+
+The above strategy first converts the continuous energy model to a multigroup
+one using the :meth:`openmc.Model.convert_to_multigroup` method. By default,
+this will internally run a coarsely converged continuous energy Monte Carlo
+simulation to produce an estimated multigroup macroscopic cross section set for
+each material specified in the model, and store this data into a multigroup
+cross section library file (``mgxs.h5``) that can be used by the random ray
+solver.
+
+The :meth:`openmc.Model.convert_to_random_ray` method enables random ray mode
+and performs an analysis of the model geometry to determine reasonable values
+for all required parameters. If default behavior is not satisfactory, the user
+can manually adjust the settings in the :attr:`~openmc.Settings.random_ray`
+dictionary in the :class:`openmc.Settings` as described in the sections below.
+
+Finally a few optional steps are shown. The first (recommended) step overlays a
+mesh over the geometry to create smaller source regions so that source
+resolution improves and the random ray solver becomes more accurate. Varying the
+mesh resolution can be used to trade off between accuracy and runtime.
+High-fidelity fission reactor simulation may require source region sizes below 1
+cm, while larger fixed source problems with some tolerance for error may be able
+to use source regions of 10 or 100 cm.
+
+We also enable linear sources, which can improve the accuracy of the random ray
+solver and/or allow for a much coarser mesh resolution to be overlaid. Finally,
+the number of rays per batch is adjusted. The goal here is to ensure that the
+source region miss rate is below 1%, which is reported by OpenMC at the end of
+the simulation (or before via a warning if it is very high).
+
+.. warning::
+    If using a mesh filter for tallying or weight window generation, ensure that
+    the same mesh is used for source region decomposition via
+    ``model.settings.random_ray['source_region_meshes']``.
+
 ------------------------
 Enabling Random Ray Mode
 ------------------------
@@ -557,29 +627,118 @@ variety of problem types (or through a multidimensional parameter sweep of
 design variables) with only modest errors and at greatly reduced cost as
 compared to using only continuous energy Monte Carlo.
 
+~~~~~~~~~~~~
+The Easy Way
+~~~~~~~~~~~~
+
+The easiest way to generate a multigroup cross section library is to use the
+:meth:`openmc.Model.convert_to_multigroup` method. This method will
+automatically output a multigroup cross section library file (``mgxs.h5``) from
+a continuous energy Monte Carlo model and alter the material definitions in the
+model to use these multigroup cross sections. An example is given below::
+
+  # Assume we already have a working continuous energy model
+  model.convert_to_multigroup(
+      method="material_wise",
+      groups="CASMO-2",
+      nparticles=2000,
+      overwrite_mgxs_library=False,
+      mgxs_path="mgxs.h5",
+      correction=None
+  )
+
+The most important parameter to set is the ``method`` parameter, which can be
+either "stochastic_slab", "material_wise", or "infinite_medium". An overview
+of these methods is given below:
+
+.. list-table:: Comparison of Automatic MGXS Generation Methods
+   :header-rows: 1
+   :widths: 10 30 30 30
+
+   * - Method
+     - Description
+     - Pros
+     - Cons
+   * - ``material_wise`` (default)
+     - * Higher Fidelity
+       * Runs a CE simulation with the original geometry and source, tallying
+         cross sections with a material filter.
+     - * Typically the most accurate of the three methods
+       * Accurately captures (averaged over the full problem domain)
+         both spatial and resonance self shielding effects
+     - * Potentially slower as the full geometry must be run
+       * If a material is only present far from the source and doesn't get tallied
+         to in the CE simulation, the MGXS will be zero for that material.
+   * - ``stochastic_slab``
+     - * Medium Fidelity
+       * Runs a CE simulation with a greatly simplified geometry, where materials
+         are randomly assigned to layers in a 1D "stochastic slab sandwich" geometry
+     - * Still captures resonant self shielding and resonance effects between materials
+       * Fast due to the simplified geometry
+       * Able to produce cross section data for all materials, regardless of how
+         far they are from the source in the original geometry
+     - * Does not capture most spatial self shielding effects, e.g., no lattice physics.
+   * - ``infinite_medium``
+     - * Lower Fidelity
+       * Runs one CE simulation per material independently. Each simulation is just
+         an infinite medium slowing down problem, with an assumed external source term.
+     - * Simple
+     - * Poor accuracy (no spatial information, no lattice physics, no resonance effects
+         between materials)
+       * May hang if a material has a k-infinity greater than 1.0
+
+When selecting a non-default energy group structure, you can manually define
+group boundaries or specify the name of a known group structure (a list of which
+can be found at :data:`openmc.mgxs.GROUP_STRUCTURES`). The ``nparticles``
+parameter can be adjusted upward to improve the fidelity of the generated cross
+section library. The ``correction`` parameter can be set to ``"P0"`` to enable
+P0 transport correction. The ``overwrite_mgxs_library`` parameter can be set to
+``True`` to overwrite an existing MGXS library file, or ``False`` to skip
+generation and use an existing library file.
+
+.. note::
+    MGXS transport correction (via setting the ``correction`` parameter in the
+    :meth:`openmc.Model.convert_to_multigroup` method to ``"P0"``) may
+    result in negative in-group scattering cross sections, which can cause
+    numerical instability. To mitigate this, during a random ray solve OpenMC
+    will automatically apply
+    `diagonal stabilization <https://doi.org/10.1016/j.anucene.2018.10.036>`_
+    with a :math:`\rho` default value of 1.0, which can be adjusted with the
+    ``settings.random_ray['diagonal_stabilization_rho']`` parameter.
+
+Ultimately, the methods described above are all just approximations.
+Approximations in the generated MGXS data will fundamentally limit the potential
+accuracy of the random ray solver. However, the methods described above are all
+useful in that they can provide a good starting point for a random ray
+simulation, and if more fidelity is needed the user may wish to follow the
+instructions below or experiment with transport correction techniques to improve
+the fidelity of the generated MGXS data.
+
+~~~~~~~~~~~~
+The Hard Way
+~~~~~~~~~~~~
+
 We give here a quick summary of how to produce a multigroup cross section data
 file (``mgxs.h5``) from a starting point of a typical continuous energy Monte
-Carlo input file. Notably, continuous energy input files define materials as a
-mixture of nuclides with different densities, whereas multigroup materials are
-simply defined by which name they correspond to in a ``mgxs.h5`` library file.
+Carlo model. Notably, continuous energy models define materials as a mixture of
+nuclides with different densities, whereas multigroup materials are simply
+defined by which name they correspond to in a ``mgxs.h5`` library file.
 
 To generate the cross section data, we begin with a continuous energy Monte
-Carlo input deck and add in the required tallies that will be needed to generate
-our library. In this example, we will specify material-wise cross sections and a
-two group energy decomposition::
+Carlo model and add in the tallies that are needed to generate our library. In
+this example, we will specify material-wise cross sections and a two-group
+energy decomposition::
 
   # Define geometry
   ...
-  ...
   geometry = openmc.Geometry()
   ...
-  ...
 
   # Initialize MGXS library with a finished OpenMC geometry object
   mgxs_lib = openmc.mgxs.Library(geometry)
 
   # Pick energy group structure
-  groups = openmc.mgxs.EnergyGroups(openmc.mgxs.GROUP_STRUCTURES['CASMO-2'])
+  groups = openmc.mgxs.EnergyGroups('CASMO-2')
   mgxs_lib.energy_groups = groups
 
   # Disable transport correction
@@ -587,7 +746,7 @@ two group energy decomposition::
 
   # Specify needed cross sections for random ray
   mgxs_lib.mgxs_types = ['total', 'absorption', 'nu-fission', 'fission',
-                      'nu-scatter matrix', 'multiplicity matrix', 'chi']
+                         'nu-scatter matrix', 'multiplicity matrix', 'chi']
 
   # Specify a "cell" domain type for the cross section tally filters
   mgxs_lib.domain_type = "material"
@@ -614,13 +773,13 @@ two group energy decomposition::
   ...
 
 When selecting an energy decomposition, you can manually define group boundaries
-or pick out a group structure already known to OpenMC (a list of which can be
-found at :class:`openmc.mgxs.GROUP_STRUCTURES`). Once the above input deck has
-been run, the resulting statepoint file will contain the needed flux and
-reaction rate tally data so that a MGXS library file can be generated. Below is
-the postprocessing script needed to generate the ``mgxs.h5`` library file given
-a statepoint file (e.g., ``statepoint.100.h5``) file and summary file (e.g.,
-``summary.h5``) that resulted from running our previous example::
+or specify the name of known group structure (a list of which can be found at
+:data:`openmc.mgxs.GROUP_STRUCTURES`). Once the above model has been run, the
+resulting statepoint file will contain the needed flux and reaction rate tally
+data so that a MGXS library file can be generated. Below is the postprocessing
+script needed to generate the ``mgxs.h5`` library file given a statepoint file
+(e.g., ``statepoint.100.h5``) file and summary file (e.g., ``summary.h5``) that
+resulted from running our previous example::
 
   import openmc
 
@@ -628,10 +787,7 @@ a statepoint file (e.g., ``statepoint.100.h5``) file and summary file (e.g.,
   geom = summary.geometry
   mats = summary.materials
 
-  statepoint_filename = 'statepoint.100.h5'
-  sp = openmc.StatePoint(statepoint_filename)
-
-  groups = openmc.mgxs.EnergyGroups(openmc.mgxs.GROUP_STRUCTURES['CASMO-2'])
+  groups = openmc.mgxs.EnergyGroups('CASMO-2')
   mgxs_lib = openmc.mgxs.Library(geom)
   mgxs_lib.energy_groups = groups
   mgxs_lib.correction = None
@@ -653,10 +809,10 @@ a statepoint file (e.g., ``statepoint.100.h5``) file and summary file (e.g.,
   # Construct all tallies needed for the multi-group cross section library
   mgxs_lib.build_library()
 
-  mgxs_lib.load_from_statepoint(sp)
+  with openmc.StatePoint('statepoint.100.h5') as sp:
+      mgxs_lib.load_from_statepoint(sp)
 
-  names = []
-  for mat in mgxs_lib.domains: names.append(mat.name)
+  names = [mat.name for mat in mgxs_lib.domains]
 
   # Create a MGXS File which can then be written to disk
   mgxs_file = mgxs_lib.create_mg_library(xs_type='macro', xsdata_names=names)
@@ -665,8 +821,8 @@ a statepoint file (e.g., ``statepoint.100.h5``) file and summary file (e.g.,
   mgxs_file.export_to_hdf5("mgxs.h5")
 
 Notably, the postprocessing script needs to match the same
-:class:`openmc.mgxs.Library` settings that were used to generate the tallies,
-but otherwise is able to discern the rest of the simulation details from the
+:class:`openmc.mgxs.Library` settings that were used to generate the tallies but
+is otherwise  able to discern the rest of the simulation details from the
 statepoint and summary files. Once the postprocessing script is successfully
 run, the ``mgxs.h5`` file can be loaded by subsequent runs of OpenMC.
 
@@ -701,11 +857,11 @@ multigroup library instead of defining their isotopic contents, as::
     water_data = openmc.Macroscopic('Hot borated water')
 
     # Instantiate some Materials and register the appropriate Macroscopic objects
-    fuel= openmc.Material(name='UO2 (2.4%)')
+    fuel = openmc.Material(name='UO2 (2.4%)')
     fuel.set_density('macro', 1.0)
     fuel.add_macroscopic(fuel_data)
 
-    water= openmc.Material(name='Hot borated water')
+    water = openmc.Material(name='Hot borated water')
     water.set_density('macro', 1.0)
     water.add_macroscopic(water_data)
 
diff --git a/docs/source/usersguide/variance_reduction.rst b/docs/source/usersguide/variance_reduction.rst
index f8ee9c35c..3256fa35f 100644
--- a/docs/source/usersguide/variance_reduction.rst
+++ b/docs/source/usersguide/variance_reduction.rst
@@ -88,59 +88,66 @@ random ray mode can be found in the :ref:`Random Ray User Guide <random_ray>`.
     ray solver. A high level overview of the current workflow for generation of
     weight windows with FW-CADIS using random ray is given below.
 
-1. Produce approximate multigroup cross section data (stored in a ``mgxs.h5``
-   library). There is more information on generating multigroup cross sections
-   via OpenMC in the :ref:`multigroup materials <create_mgxs>` user guide, and a
-   specific example of generating cross section data for use with random ray in
-   the :ref:`random ray MGXS guide <mgxs_gen>`.
+1. Begin by making a deepy copy of your continuous energy Python model and then
+   convert the copy to be multigroup and use the random ray transport solver.
+   The conversion process can largely be automated as described in more detail
+   in the :ref:`random ray quick start guide <quick_start>`, summarized below::
 
-2. Make a copy of your continuous energy Python input file. You'll edit the new
-   file to work in multigroup mode with random ray for producing weight windows.
+    # Define continuous energy model
+    ce_model = openmc.pwr_pin_cell() # example, replace with your model
 
-3. Adjust the material definitions in your new multigroup Python file to utilize
-   the multigroup cross sections instead of nuclide-wise continuous energy data.
-   There is a specific example of making this conversion in the :ref:`random ray
-   MGXS guide <mgxs_gen>`.
+    # Make a copy to convert to multigroup and random ray
+    model = copy.deepcopy(ce_model)
 
-4. Configure OpenMC to run in random ray mode (by adding several standard random
-   ray input flags and settings to the :attr:`openmc.Settings.random_ray`
-   dictionary). More information can be found in the  :ref:`Random Ray User
-   Guide <random_ray>`.
+    # Convert model to multigroup (will auto-generate MGXS library if needed)
+    model.convert_to_multigroup()
 
-5. Add in a :class:`~openmc.WeightWindowGenerator` in a similar manner as for
+    # Convert model to random ray and initialize random ray parameters
+    # to reasonable defaults based on the specifics of the geometry
+    model.convert_to_random_ray()
+
+    # (Optional) Overlay source region decomposition mesh to improve fidelity of the
+    # random ray solver. Adjust 'n' for fidelity vs runtime.
+    n = 10
+    mesh = openmc.RegularMesh()
+    mesh.dimension = (n, n, n)
+    mesh.lower_left = model.geometry.bounding_box.lower_left
+    mesh.upper_right = model.geometry.bounding_box.upper_right
+    model.settings.random_ray['source_region_meshes'] = [(mesh, [model.geometry.root_universe])]
+
+    # (Optional) Improve fidelity of the random ray solver by enabling linear sources
+    model.settings.random_ray['source_shape'] = 'linear'
+
+    # (Optional) Increase the number of rays/batch, to reduce uncertainty
+    model.settings.particles = 500
+
+   If you need to improve the fidelity of the MGXS library, there is more
+   information on generating multigroup cross sections via OpenMC in the
+   :ref:`random ray MGXS guide <mgxs_gen>`.
+
+2. Add in a :class:`~openmc.WeightWindowGenerator` in a similar manner as for
    MAGIC generation with Monte Carlo and set the :attr:`method` attribute set to
    ``"fw_cadis"``::
 
-       # Define weight window spatial mesh
-       ww_mesh = openmc.RegularMesh()
-       ww_mesh.dimension = (10, 10, 10)
-       ww_mesh.lower_left = (0.0, 0.0, 0.0)
-       ww_mesh.upper_right = (100.0, 100.0, 100.0)
-
-       # Create weight window object and adjust parameters
+       # Create weight window object and adjust parameters, using the same mesh
+       # we used for source region decomposition
        wwg = openmc.WeightWindowGenerator(
            method='fw_cadis',
-           mesh=ww_mesh,
+           mesh=mesh,
            max_realizations=settings.batches
        )
 
        # Add generator to openmc.settings object
        settings.weight_window_generators = wwg
 
-
 .. warning::
     If using FW-CADIS weight window generation, ensure that the selected weight
     window mesh does not subdivide any source regions in the problem. This can
-    be ensured by assigning the weight window tally mesh to the root universe so
-    as to create source region boundaries that conform to the mesh, as in the
-    example below.
+    be ensured by using the same mesh for both source region subdivision (i.e.,
+    assigning to ``model.settings.random_ray['source_region_meshes']``) and for
+    weight window generation.
 
-::
-    
-    root = model.geometry.root_universe    
-    settings.random_ray['source_region_meshes'] = [(ww_mesh, [root])]
-
-6. When running your multigroup random ray input deck, OpenMC will automatically
+3. When running your multigroup random ray input deck, OpenMC will automatically
    run a forward solve followed by an adjoint solve, with a
    ``weight_windows.h5`` file generated at the end. The ``weight_windows.h5``
    file will contain FW-CADIS generated weight windows. This file can be used in
diff --git a/include/openmc/random_ray/flat_source_domain.h b/include/openmc/random_ray/flat_source_domain.h
index 39d87d663..656b0354a 100644
--- a/include/openmc/random_ray/flat_source_domain.h
+++ b/include/openmc/random_ray/flat_source_domain.h
@@ -58,6 +58,7 @@ public:
   SourceRegionHandle get_subdivided_source_region_handle(
     int64_t sr, int mesh_bin, Position r, double dist, Direction u);
   void finalize_discovered_source_regions();
+  void apply_transport_stabilization();
   int64_t n_source_regions() const
   {
     return source_regions_.n_source_regions();
@@ -71,6 +72,9 @@ public:
   // Static Data members
   static bool volume_normalized_flux_tallies_;
   static bool adjoint_; // If the user wants outputs based on the adjoint flux
+  static double
+    diagonal_stabilization_rho_; // Adjusts strength of diagonal stabilization
+                                 // for transport corrected MGXS data
 
   // Static variables to store source region meshes and domains
   static std::unordered_map<int, vector<std::pair<Source::DomainType, int>>>
@@ -127,6 +131,12 @@ public:
   std::unordered_map<SourceRegionKey, int64_t, SourceRegionKey::HashFunctor>
     source_region_map_;
 
+  // If transport corrected MGXS data is being used, there may be negative
+  // in-group scattering cross sections that can result in instability in MOC
+  // and random ray if used naively. This flag enables a stabilization
+  // technique.
+  bool is_transport_stabilization_needed_ {false};
+
 protected:
   //----------------------------------------------------------------------------
   // Methods
diff --git a/openmc/model/model.py b/openmc/model/model.py
index e8558f4ad..260059f4a 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -1,9 +1,12 @@
 from __future__ import annotations
 from collections.abc import Iterable, Sequence
+import copy
 from functools import lru_cache
 from pathlib import Path
 import math
 from numbers import Integral, Real
+import random
+import re
 from tempfile import NamedTemporaryFile, TemporaryDirectory
 import warnings
 
@@ -1439,3 +1442,482 @@ class Model:
             self.materials = openmc.Materials(
                 self.geometry.get_all_materials().values()
             )
+
+    def _generate_infinite_medium_mgxs(self, groups, nparticles, mgxs_path, correction):
+        """Generate a MGXS library by running multiple OpenMC simulations, each
+        representing an infinite medium simulation of a single isolated
+        material. A discrete source is used to sample particles, with an equal
+        strength spread across each of the energy groups. This is a highly naive
+        method that ignores all spatial self shielding effects and all resonance
+        shielding effects between materials.
+
+        Parameters
+        ----------
+        groups : openmc.mgxs.EnergyGroups
+            Energy group structure for the MGXS.
+        mgxs_path : path-like
+            Filename for the MGXS HDF5 file.
+        """
+        warnings.warn("The infinite medium method of generating MGXS may hang "
+                      "if a material has a k-infinity > 1.0.")
+        mgxs_sets = []
+        for material in self.materials:
+            openmc.reset_auto_ids()
+            model = openmc.Model()
+
+            # Set materials on the model
+            model.materials = [material]
+
+            # Settings
+            model.settings.batches = 100
+            model.settings.particles = nparticles
+            model.settings.run_mode = 'fixed source'
+
+            # Make a discrete source that is uniform over the bins of the group structure
+            n_groups = groups.num_groups
+            midpoints = []
+            strengths = []
+            for i in range(n_groups):
+                bounds = groups.get_group_bounds(i+1)
+                midpoints.append((bounds[0] + bounds[1]) / 2.0)
+                strengths.append(1.0)
+
+            energy_distribution = openmc.stats.Discrete(x=midpoints, p=strengths)
+            model.settings.source = openmc.IndependentSource(
+                space=openmc.stats.Point(), energy=energy_distribution)
+            model.settings.output = {'summary': True, 'tallies': False}
+
+            # Geometry
+            box = openmc.model.RectangularPrism(
+                100000.0, 100000.0, boundary_type='reflective')
+            name = material.name
+            infinite_cell = openmc.Cell(name=name, fill=material, region=-box)
+            infinite_universe = openmc.Universe(name=name, cells=[infinite_cell])
+            model.geometry.root_universe = infinite_universe
+
+            # Add MGXS Tallies
+
+            # Initialize MGXS library with a finished OpenMC geometry object
+            mgxs_lib = openmc.mgxs.Library(model.geometry)
+
+            # Pick energy group structure
+            mgxs_lib.energy_groups = groups
+
+            # Disable transport correction
+            mgxs_lib.correction = correction
+
+            # Specify needed cross sections for random ray
+            if correction == 'P0':
+                mgxs_lib.mgxs_types = [
+                    'nu-transport', 'absorption', 'nu-fission', 'fission',
+                    'consistent nu-scatter matrix', 'multiplicity matrix', 'chi'
+                ]
+            elif correction is None:
+                mgxs_lib.mgxs_types = [
+                    'total', 'absorption', 'nu-fission', 'fission',
+                    'consistent nu-scatter matrix', 'multiplicity matrix', 'chi'
+                ]
+
+            # Specify a "cell" domain type for the cross section tally filters
+            mgxs_lib.domain_type = "material"
+
+            # Specify the cell domains over which to compute multi-group cross sections
+            mgxs_lib.domains = model.geometry.get_all_materials().values()
+
+            # Do not compute cross sections on a nuclide-by-nuclide basis
+            mgxs_lib.by_nuclide = False
+
+            # Check the library - if no errors are raised, then the library is satisfactory.
+            mgxs_lib.check_library_for_openmc_mgxs()
+
+            # Construct all tallies needed for the multi-group cross section library
+            mgxs_lib.build_library()
+
+            # Create a "tallies.xml" file for the MGXS Library
+            mgxs_lib.add_to_tallies_file(model.tallies, merge=True)
+
+            # Run
+            statepoint_filename = model.run()
+
+            # Load MGXS
+            with openmc.StatePoint(statepoint_filename) as sp:
+                mgxs_lib.load_from_statepoint(sp)
+
+            # Create a MGXS File which can then be written to disk
+            mgxs_set = mgxs_lib.get_xsdata(domain=material, xsdata_name=name)
+            mgxs_sets.append(mgxs_set)
+
+        # Write the file to disk
+        mgxs_file = openmc.MGXSLibrary(energy_groups=groups)
+        for mgxs_set in mgxs_sets:
+            mgxs_file.add_xsdata(mgxs_set)
+        mgxs_file.export_to_hdf5(mgxs_path)
+
+    @staticmethod
+    def _create_stochastic_slab_geometry(materials, cell_thickness=1.0, num_repeats=100):
+        """Create a geometry representing a stochastic "sandwich" of materials in a
+        layered slab geometry. To reduce the impact of the order of materials in
+        the slab, the materials are applied to 'num_repeats' different randomly
+        positioned layers of 'cell_thickness' each.
+
+        Parameters
+        ----------
+        materials : list of openmc.Material
+            List of materials to assign. Each material will appear exactly num_repeats times,
+            then the ordering is randomly shuffled.
+        cell_thickness : float, optional
+            Thickness of each lattice cell in x (default 1.0 cm).
+        num_repeats : int, optional
+            Number of repeats for each material (default 100).
+
+        Returns
+        -------
+        geometry : openmc.Geometry
+            The constructed geometry.
+        box : openmc.stats.Box
+            A spatial sampling distribution covering the full slab domain.
+        """
+        if not materials:
+            raise ValueError("At least one material must be provided.")
+
+        num_materials = len(materials)
+        total_cells = num_materials * num_repeats
+        total_width = total_cells * cell_thickness
+
+        # Generate an infinite cell/universe for each material
+        universes = []
+        for i in range(num_materials):
+            cell = openmc.Cell(fill=materials[i])
+            universes.append(openmc.Universe(cells=[cell]))
+
+        # Make a list of randomized material idx assignments for the stochastic slab
+        assignments = list(range(num_materials)) * num_repeats
+        random.seed(42)
+        random.shuffle(assignments)
+
+        # Create a list of the (randomized) universe assignments to be used
+        # when defining the problem lattice.
+        lattice_entries = [universes[m] for m in assignments]
+
+        # Create the RectLattice for the 1D material variation in x.
+        lattice = openmc.RectLattice()
+        lattice.pitch = (cell_thickness, total_width, total_width)
+        lattice.lower_left = (0.0, 0.0, 0.0)
+        lattice.universes = [[lattice_entries]]
+        lattice.outer = universes[0]
+
+        # Define the six outer surfaces with reflective boundary conditions
+        rpp = openmc.model.RectangularParallelepiped(
+            0.0, total_width, 0.0, total_width, 0.0, total_width,
+            boundary_type='reflective'
+        )
+
+        # Create an outer cell that fills with the lattice.
+        outer_cell = openmc.Cell(fill=lattice, region=-rpp)
+
+        # Build the geometry
+        geometry = openmc.Geometry([outer_cell])
+
+        # Define the spatial distribution that covers the full cubic domain
+        box = openmc.stats.Box(*outer_cell.bounding_box)
+
+        return geometry, box
+
+    def _generate_stochastic_slab_mgxs(self, groups, nparticles, mgxs_path, correction) -> None:
+        """Generate MGXS assuming a stochastic "sandwich" of materials in a layered
+        slab geometry. While geometry-specific spatial shielding effects are not
+        captured, this method can be useful when the geometry has materials only
+        found far from the source region that the "material_wise" method would
+        not be capable of generating cross sections for. Conversely, this method
+        will generate cross sections for all materials in the problem regardless
+        of type. If this is a fixed source problem, a discrete source is used to
+        sample particles, with an equal strength spread across each of the
+        energy groups.
+
+        Parameters
+        ----------
+        groups : openmc.mgxs.EnergyGroups
+            Energy group structure for the MGXS.
+        mgxs_path : path-like
+            Filename for the MGXS HDF5 file.
+        """
+        openmc.reset_auto_ids()
+        model = openmc.Model()
+        model.materials = self.materials
+
+        # Settings
+        model.settings.batches = 200
+        model.settings.inactive = 100
+        model.settings.particles = nparticles
+        model.settings.output = {'summary': True, 'tallies': False}
+        model.settings.run_mode = self.settings.run_mode
+
+        # Stochastic slab geometry
+        model.geometry, spatial_distribution = Model._create_stochastic_slab_geometry(
+            model.materials)
+
+        # Make a discrete source that is uniform over the bins of the group structure
+        n_groups = groups.num_groups
+        midpoints = []
+        strengths = []
+        for i in range(n_groups):
+            bounds = groups.get_group_bounds(i+1)
+            midpoints.append((bounds[0] + bounds[1]) / 2.0)
+            strengths.append(1.0)
+
+        energy_distribution = openmc.stats.Discrete(x=midpoints, p=strengths)
+        model.settings.source = [openmc.IndependentSource(
+            space=spatial_distribution, energy=energy_distribution, strength=1.0)]
+
+        model.settings.output = {'summary': True, 'tallies': False}
+
+        # Add MGXS Tallies
+
+        # Initialize MGXS library with a finished OpenMC geometry object
+        mgxs_lib = openmc.mgxs.Library(model.geometry)
+
+        # Pick energy group structure
+        mgxs_lib.energy_groups = groups
+
+        # Disable transport correction
+        mgxs_lib.correction = correction
+
+       # Specify needed cross sections for random ray
+        if correction == 'P0':
+            mgxs_lib.mgxs_types = ['nu-transport', 'absorption', 'nu-fission', 'fission',
+                                   'consistent nu-scatter matrix', 'multiplicity matrix', 'chi']
+        elif correction is None:
+            mgxs_lib.mgxs_types = ['total', 'absorption', 'nu-fission', 'fission',
+                                   'consistent nu-scatter matrix', 'multiplicity matrix', 'chi']
+
+        # Specify a "cell" domain type for the cross section tally filters
+        mgxs_lib.domain_type = "material"
+
+        # Specify the cell domains over which to compute multi-group cross sections
+        mgxs_lib.domains = model.geometry.get_all_materials().values()
+
+        # Do not compute cross sections on a nuclide-by-nuclide basis
+        mgxs_lib.by_nuclide = False
+
+        # Check the library - if no errors are raised, then the library is satisfactory.
+        mgxs_lib.check_library_for_openmc_mgxs()
+
+        # Construct all tallies needed for the multi-group cross section library
+        mgxs_lib.build_library()
+
+        # Create a "tallies.xml" file for the MGXS Library
+        mgxs_lib.add_to_tallies_file(model.tallies, merge=True)
+
+        # Run
+        statepoint_filename = model.run()
+
+        # Load MGXS
+        with openmc.StatePoint(statepoint_filename) as sp:
+            mgxs_lib.load_from_statepoint(sp)
+
+        names = [mat.name for mat in mgxs_lib.domains]
+
+        # Create a MGXS File which can then be written to disk
+        mgxs_file = mgxs_lib.create_mg_library(xs_type='macro', xsdata_names=names)
+        mgxs_file.export_to_hdf5(mgxs_path)
+
+    def _generate_material_wise_mgxs(self, groups, nparticles, mgxs_path, correction) -> None:
+        """Generate a material-wise MGXS library for the model by running the
+        original continuous energy OpenMC simulation of the full material
+        geometry and source, and tally MGXS data for each material. This method
+        accurately conserves reaction rates totaled over the entire simulation
+        domain. However, when the geometry has materials only found far from the
+        source region, it is possible the Monte Carlo solver may not be able to
+        score any tallies to these material types, thus resulting in zero cross
+        section values for these materials. For such cases, the "stochastic
+        slab" method may be more appropriate.
+
+        Parameters
+        ----------
+        groups : openmc.mgxs.EnergyGroups
+            Energy group structure for the MGXS.
+        mgxs_path : str
+            Filename for the MGXS HDF5 file.
+        """
+        openmc.reset_auto_ids()
+        model = copy.deepcopy(self)
+        model.tallies = openmc.Tallies()
+
+        # Settings
+        model.settings.batches = 200
+        model.settings.inactive = 100
+        model.settings.particles = nparticles
+        model.settings.output = {'summary': True, 'tallies': False}
+
+        # Add MGXS Tallies
+
+        # Initialize MGXS library with a finished OpenMC geometry object
+        mgxs_lib = openmc.mgxs.Library(model.geometry)
+
+        # Pick energy group structure
+        mgxs_lib.energy_groups = groups
+
+        # Disable transport correction
+        mgxs_lib.correction = correction
+
+        # Specify needed cross sections for random ray
+        if correction == 'P0':
+            mgxs_lib.mgxs_types = [
+                'nu-transport', 'absorption', 'nu-fission', 'fission',
+                'consistent nu-scatter matrix', 'multiplicity matrix', 'chi'
+            ]
+        elif correction is None:
+            mgxs_lib.mgxs_types = [
+                'total', 'absorption', 'nu-fission', 'fission',
+                'consistent nu-scatter matrix', 'multiplicity matrix', 'chi'
+            ]
+
+        # Specify a "cell" domain type for the cross section tally filters
+        mgxs_lib.domain_type = "material"
+
+        # Specify the cell domains over which to compute multi-group cross sections
+        mgxs_lib.domains = model.geometry.get_all_materials().values()
+
+        # Do not compute cross sections on a nuclide-by-nuclide basis
+        mgxs_lib.by_nuclide = False
+
+        # Check the library - if no errors are raised, then the library is satisfactory.
+        mgxs_lib.check_library_for_openmc_mgxs()
+
+        # Construct all tallies needed for the multi-group cross section library
+        mgxs_lib.build_library()
+
+        # Create a "tallies.xml" file for the MGXS Library
+        mgxs_lib.add_to_tallies_file(model.tallies, merge=True)
+
+        # Run
+        statepoint_filename = model.run()
+
+        # Load MGXS
+        with openmc.StatePoint(statepoint_filename) as sp:
+            mgxs_lib.load_from_statepoint(sp)
+
+        names = [mat.name for mat in mgxs_lib.domains]
+
+        # Create a MGXS File which can then be written to disk
+        mgxs_file = mgxs_lib.create_mg_library(
+            xs_type='macro', xsdata_names=names)
+        mgxs_file.export_to_hdf5(mgxs_path)
+
+    def convert_to_multigroup(self, method="material_wise", groups='CASMO-2',
+                              nparticles=2000, overwrite_mgxs_library=False,
+                              mgxs_path: PathLike = "mgxs.h5", correction=None):
+        """Convert all materials from continuous energy to multigroup.
+
+        If no MGXS data library file is found, generate one using one or more
+        continuous energy Monte Carlo simulations.
+
+        Parameters
+        ----------
+        method : {"material_wise", "stochastic_slab", "infinite_medium"}, optional
+            Method to generate the MGXS.
+        groups : openmc.mgxs.EnergyGroups or str, optional
+            Energy group structure for the MGXS or the name of the group
+            structure (based on keys from openmc.mgxs.GROUP_STRUCTURES).
+        mgxs_path : str, optional
+            Filename of the mgxs.h5 library file.
+        correction : str, optional
+            Transport correction to apply to the MGXS. Options are None and
+            "P0".
+        """
+        if isinstance(groups, str):
+            groups = openmc.mgxs.EnergyGroups(groups)
+
+        # Make sure all materials have a name, and that the name is a valid HDF5
+        # dataset name
+        for material in self.materials:
+            if material.name is None:
+                material.name = f"material {material.id}"
+            material.name = re.sub(r'[^a-zA-Z0-9]', '_', material.name)
+
+        # If needed, generate the needed MGXS data library file
+        if not Path(mgxs_path).is_file() or overwrite_mgxs_library:
+            if method == "infinite_medium":
+                self._generate_infinite_medium_mgxs(
+                    groups, nparticles, mgxs_path, correction)
+            elif method == "material_wise":
+                self._generate_material_wise_mgxs(
+                    groups, nparticles, mgxs_path, correction)
+            elif method == "stochastic_slab":
+                self._generate_stochastic_slab_mgxs(
+                    groups, nparticles, mgxs_path, correction)
+            else:
+                raise ValueError(
+                    f'MGXS generation method "{method}" not recognized')
+        else:
+            print(f'Existing MGXS library file "{mgxs_path}" will be used')
+
+        # Convert all continuous energy materials to multigroup
+        self.materials.cross_sections = mgxs_path
+        for material in self.materials:
+            material.set_density('macro', 1.0)
+            material._nuclides = []
+            material._sab = []
+            material.add_macroscopic(material.name)
+
+        self.settings.energy_mode = 'multi-group'
+
+    def convert_to_random_ray(self):
+        """Convert a multigroup model to use random ray.
+
+        This method determines values for the needed settings and adds them to
+        the settings.random_ray dictionary so as to enable random ray mode. The
+        settings that are populated are:
+
+        - 'ray_source' (openmc.IndependentSource): Where random ray starting
+          points are sampled from.
+        - 'distance_inactive' (float): The "dead zone" distance at the beginning
+          of the ray.
+        - 'distance_active' (float): The "active" distance of the ray
+        - 'particles' (int): Number of rays to simulate
+
+        The method will determine reasonable defaults for each of the above
+        variables based on analysis of the model's geometry. The function will
+        have no effect if the random ray dictionary is already defined in the
+        model settings.
+        """
+        # If the random ray dictionary is already set, don't overwrite it
+        if self.settings.random_ray:
+            warnings.warn("Random ray conversion skipped as "
+                          "settings.random_ray dictionary is already set.")
+            return
+
+        if self.settings.energy_mode != 'multi-group':
+            raise ValueError(
+                "Random ray conversion failed: energy mode must be "
+                "'multi-group'. Use convert_to_multigroup() first."
+            )
+
+        # Helper function for detecting infinity
+        def _replace_infinity(value):
+            if np.isinf(value):
+                return 1.0 if value > 0 else -1.0
+            return value
+
+        # Get a bounding box for sampling rays. We can utilize the geometry's bounding box
+        # though for 2D problems we need to detect the infinities and replace them with an
+        # arbitrary finite value.
+        bounding_box = self.geometry.bounding_box
+        lower_left = [_replace_infinity(v) for v in bounding_box.lower_left]
+        upper_right = [_replace_infinity(v) for v in bounding_box.upper_right]
+        uniform_dist_ray = openmc.stats.Box(lower_left, upper_right)
+        rr_source = openmc.IndependentSource(space=uniform_dist_ray)
+        self.settings.random_ray['ray_source'] = rr_source
+
+        # For the dead zone and active length, a reasonable guess is the larger of either:
+        # 1) The maximum chord length through the geometry (as defined by its bounding box)
+        # 2) 30 cm
+        # Then, set the active length to be 5x longer than the dead zone length, for the sake of efficiency.
+        chord_length = np.array(upper_right) - np.array(lower_left)
+        max_length = max(np.linalg.norm(chord_length), 30.0)
+
+        self.settings.random_ray['distance_inactive'] = max_length
+        self.settings.random_ray['distance_active'] = 5 * max_length
+
+        # Take a wild guess as to how many rays are needed
+        self.settings.particles = 2 * int(max_length)
diff --git a/openmc/settings.py b/openmc/settings.py
index 17c24ba81..a2bf51a51 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -187,6 +187,17 @@ class Settings:
             or openmc.Universe. The mesh will be applied to the listed domains
             to subdivide source regions so as to improve accuracy and/or conform
             with tally meshes.
+        :diagonal_stabilization_rho:
+            The rho factor for use with diagonal stabilization. This technique is
+            applied when negative diagonal (in-group) elements are detected in
+            the scattering matrix of input MGXS data, which is a common feature
+            of transport corrected MGXS data. The default is 1.0, which ensures
+            no negative diagonal elements are present in the iteration matrix and
+            thus stabilizes the simulation. A value of 0.0 will disable diagonal
+            stabilization. Values between 0.0 and 1.0 will apply a degree of
+            stabilization, which may be desirable as stronger diagonal stabilization
+            also tends to dampen the convergence rate of the solver, thus requiring
+            more iterations to converge.
 
         .. versionadded:: 0.15.0
     resonance_scattering : dict
@@ -1177,6 +1188,10 @@ class Settings:
             elif key == 'sample_method':
                 cv.check_value('sample method', value,
                                ('prng', 'halton'))
+            elif key == 'diagonal_stabilization_rho':
+                cv.check_type('diagonal stabilization rho', value, Real)
+                cv.check_greater_than('diagonal stabilization rho',
+                                      value, 0.0, True)
             else:
                 raise ValueError(f'Unable to set random ray to "{key}" which is '
                                  'unsupported by OpenMC')
@@ -2018,7 +2033,7 @@ class Settings:
         if elem is not None:
             self.random_ray = {}
             for child in elem:
-                if child.tag in ('distance_inactive', 'distance_active'):
+                if child.tag in ('distance_inactive', 'distance_active', 'diagonal_stabilization_rho'):
                     self.random_ray[child.tag] = float(child.text)
                 elif child.tag == 'source':
                     source = SourceBase.from_xml_element(child)
diff --git a/src/random_ray/flat_source_domain.cpp b/src/random_ray/flat_source_domain.cpp
index 33651574f..ff8e5d232 100644
--- a/src/random_ray/flat_source_domain.cpp
+++ b/src/random_ray/flat_source_domain.cpp
@@ -30,6 +30,7 @@ RandomRayVolumeEstimator FlatSourceDomain::volume_estimator_ {
   RandomRayVolumeEstimator::HYBRID};
 bool FlatSourceDomain::volume_normalized_flux_tallies_ {false};
 bool FlatSourceDomain::adjoint_ {false};
+double FlatSourceDomain::diagonal_stabilization_rho_ {1.0};
 std::unordered_map<int, vector<std::pair<Source::DomainType, int>>>
   FlatSourceDomain::mesh_domain_map_;
 
@@ -1106,6 +1107,11 @@ void FlatSourceDomain::flatten_xs()
           double sigma_s =
             m.get_xs(MgxsType::NU_SCATTER, g_in, &g_out, NULL, NULL, t, a);
           sigma_s_.push_back(sigma_s);
+          // For transport corrected XS data, diagonal elements may be negative.
+          // In this case, set a flag to enable transport stabilization for the
+          // simulation.
+          if (g_out == g_in && sigma_s < 0.0)
+            is_transport_stabilization_needed_ = true;
         }
       } else {
         sigma_t_.push_back(0);
@@ -1427,4 +1433,53 @@ void FlatSourceDomain::finalize_discovered_source_regions()
   discovered_source_regions_.clear();
 }
 
+// This is the "diagonal stabilization" technique developed by Gunow et al. in:
+//
+// Geoffrey Gunow, Benoit Forget, Kord Smith, Stabilization of multi-group
+// neutron transport with transport-corrected cross-sections, Annals of Nuclear
+// Energy, Volume 126, 2019, Pages 211-219, ISSN 0306-4549,
+// https://doi.org/10.1016/j.anucene.2018.10.036.
+void FlatSourceDomain::apply_transport_stabilization()
+{
+  // Don't do anything if all in-group scattering
+  // cross sections are positive
+  if (!is_transport_stabilization_needed_) {
+    return;
+  }
+
+  // Apply the stabilization factor to all source elements
+#pragma omp parallel for
+  for (int64_t sr = 0; sr < n_source_regions(); sr++) {
+    int material = source_regions_.material(sr);
+    if (material == MATERIAL_VOID) {
+      continue;
+    }
+    for (int g = 0; g < negroups_; g++) {
+      // Only apply stabilization if the diagonal (in-group) scattering XS is
+      // negative
+      double sigma_s =
+        sigma_s_[material * negroups_ * negroups_ + g * negroups_ + g];
+      if (sigma_s < 0.0) {
+        double sigma_t = sigma_t_[material * negroups_ + g];
+        double phi_new = source_regions_.scalar_flux_new(sr, g);
+        double phi_old = source_regions_.scalar_flux_old(sr, g);
+
+        // Equation 18 in the above Gunow et al. 2019 paper. For a default
+        // rho of 1.0, this ensures there are no negative diagonal elements
+        // in the iteration matrix. A lesser rho could be used (or exposed
+        // as a user input parameter) to reduce the negative impact on
+        // convergence rate though would need to be experimentally tested to see
+        // if it doesn't become unstable. rho = 1.0 is good as it gives the
+        // highest assurance of stability, and the impacts on convergence rate
+        // are pretty mild.
+        double D = diagonal_stabilization_rho_ * sigma_s / sigma_t;
+
+        // Equation 16 in the above Gunow et al. 2019 paper
+        source_regions_.scalar_flux_new(sr, g) =
+          (phi_new - D * phi_old) / (1.0 - D);
+      }
+    }
+  }
+}
+
 } // namespace openmc
diff --git a/src/random_ray/random_ray_simulation.cpp b/src/random_ray/random_ray_simulation.cpp
index 36517bee4..60b00a5be 100644
--- a/src/random_ray/random_ray_simulation.cpp
+++ b/src/random_ray/random_ray_simulation.cpp
@@ -478,6 +478,9 @@ void RandomRaySimulation::simulate()
       // Add source to scalar flux, compute number of FSR hits
       int64_t n_hits = domain_->add_source_to_scalar_flux();
 
+      // Apply transport stabilization factors
+      domain_->apply_transport_stabilization();
+
       if (settings::run_mode == RunMode::EIGENVALUE) {
         // Compute random ray k-eff
         k_eff_ = domain_->compute_k_eff(k_eff_);
@@ -577,17 +580,23 @@ void RandomRaySimulation::print_results_random_ray(
     header("Simulation Statistics", 4);
     fmt::print(
       " Total Iterations                  = {}\n", settings::n_batches);
-    fmt::print(" Flat Source Regions (FSRs)        = {}\n", n_source_regions);
     fmt::print(
-      " FSRs Containing External Sources  = {}\n", n_external_source_regions);
+      " Number of Rays per Iteration      = {}\n", settings::n_particles);
+    fmt::print(" Inactive Distance                 = {} cm\n",
+      RandomRay::distance_inactive_);
+    fmt::print(" Active Distance                   = {} cm\n",
+      RandomRay::distance_active_);
+    fmt::print(" Source Regions (SRs)              = {}\n", n_source_regions);
+    fmt::print(
+      " SRs Containing External Sources   = {}\n", n_external_source_regions);
     fmt::print(" Total Geometric Intersections     = {:.4e}\n",
       static_cast<double>(total_geometric_intersections));
     fmt::print("   Avg per Iteration               = {:.4e}\n",
       static_cast<double>(total_geometric_intersections) / settings::n_batches);
-    fmt::print("   Avg per Iteration per FSR       = {:.2f}\n",
+    fmt::print("   Avg per Iteration per SR        = {:.2f}\n",
       static_cast<double>(total_geometric_intersections) /
         static_cast<double>(settings::n_batches) / n_source_regions);
-    fmt::print(" Avg FSR Miss Rate per Iteration   = {:.4f}%\n", avg_miss_rate);
+    fmt::print(" Avg SR Miss Rate per Iteration    = {:.4f}%\n", avg_miss_rate);
     fmt::print(" Energy Groups                     = {}\n", negroups);
     fmt::print(
       " Total Integrations                = {:.4e}\n", total_integrations);
@@ -613,6 +622,33 @@ void RandomRaySimulation::print_results_random_ray(
     std::string adjoint_true = (FlatSourceDomain::adjoint_) ? "ON" : "OFF";
     fmt::print(" Adjoint Flux Mode                 = {}\n", adjoint_true);
 
+    std::string shape;
+    switch (RandomRay::source_shape_) {
+    case RandomRaySourceShape::FLAT:
+      shape = "Flat";
+      break;
+    case RandomRaySourceShape::LINEAR:
+      shape = "Linear";
+      break;
+    case RandomRaySourceShape::LINEAR_XY:
+      shape = "Linear XY";
+      break;
+    default:
+      fatal_error("Invalid random ray source shape");
+    }
+    fmt::print(" Source Shape                      = {}\n", shape);
+    std::string sample_method =
+      (RandomRay::sample_method_ == RandomRaySampleMethod::PRNG) ? "PRNG"
+                                                                 : "Halton";
+    fmt::print(" Sample Method                     = {}\n", sample_method);
+
+    if (domain_->is_transport_stabilization_needed_) {
+      fmt::print(" Transport XS Stabilization Used   = YES (rho = {:.3f})\n",
+        FlatSourceDomain::diagonal_stabilization_rho_);
+    } else {
+      fmt::print(" Transport XS Stabilization Used   = NO\n");
+    }
+
     header("Timing Statistics", 4);
     show_time("Total time for initialization", time_initialize.elapsed());
     show_time("Reading cross sections", time_read_xs.elapsed(), 1);
diff --git a/src/settings.cpp b/src/settings.cpp
index 49b6590ec..53fcdec38 100644
--- a/src/settings.cpp
+++ b/src/settings.cpp
@@ -345,6 +345,15 @@ void get_run_parameters(pugi::xml_node node_base)
         }
       }
     }
+    if (check_for_node(random_ray_node, "diagonal_stabilization_rho")) {
+      FlatSourceDomain::diagonal_stabilization_rho_ = std::stod(
+        get_node_value(random_ray_node, "diagonal_stabilization_rho"));
+      if (FlatSourceDomain::diagonal_stabilization_rho_ < 0.0 ||
+          FlatSourceDomain::diagonal_stabilization_rho_ > 1.0) {
+        fatal_error("Random ray diagonal stabilization rho factor must be "
+                    "between 0 and 1");
+      }
+    }
   }
 }
 
diff --git a/tests/regression_tests/mgxs_library_ce_to_mg/test.py b/tests/regression_tests/mgxs_library_ce_to_mg/test.py
index 4dff67323..48a715997 100644
--- a/tests/regression_tests/mgxs_library_ce_to_mg/test.py
+++ b/tests/regression_tests/mgxs_library_ce_to_mg/test.py
@@ -40,8 +40,8 @@ class MGXSTestHarness(PyAPITestHarness):
 
         # Build MG Inputs
         # Get data needed to execute Library calculations.
-        sp = openmc.StatePoint(self._sp_name)
-        self.mgxs_lib.load_from_statepoint(sp)
+        with openmc.StatePoint(self._sp_name) as sp:
+            self.mgxs_lib.load_from_statepoint(sp)
         self._model.mgxs_file, self._model.materials, \
             self._model.geometry = self.mgxs_lib.create_mg_mode()
 
@@ -55,11 +55,6 @@ class MGXSTestHarness(PyAPITestHarness):
         self._model.export_to_model_xml()
         self._model.mgxs_file.export_to_hdf5()
 
-        # Enforce closing statepoint and summary files so HDF5
-        # does not throw an error during the next OpenMC execution
-        sp._f.close()
-        sp._summary._f.close()
-
         # Re-run MG mode.
         if config['mpi']:
             mpi_args = [config['mpiexec'], '-n', config['mpi_np']]
diff --git a/tests/regression_tests/mgxs_library_ce_to_mg_nuclides/test.py b/tests/regression_tests/mgxs_library_ce_to_mg_nuclides/test.py
index ee0cdf0d9..a77ad2429 100644
--- a/tests/regression_tests/mgxs_library_ce_to_mg_nuclides/test.py
+++ b/tests/regression_tests/mgxs_library_ce_to_mg_nuclides/test.py
@@ -40,8 +40,8 @@ class MGXSTestHarness(PyAPITestHarness):
 
         # Build MG Inputs
         # Get data needed to execute Library calculations.
-        sp = openmc.StatePoint(self._sp_name)
-        self.mgxs_lib.load_from_statepoint(sp)
+        with openmc.StatePoint(self._sp_name) as sp:
+            self.mgxs_lib.load_from_statepoint(sp)
         self._model.mgxs_file, self._model.materials, \
             self._model.geometry = self.mgxs_lib.create_mg_mode()
 
@@ -55,11 +55,6 @@ class MGXSTestHarness(PyAPITestHarness):
         self._model.export_to_model_xml()
         self._model.mgxs_file.export_to_hdf5()
 
-        # Enforce closing statepoint and summary files so HDF5
-        # does not throw an error during the next OpenMC execution
-        sp._f.close()
-        sp._summary._f.close()
-
         # Re-run MG mode.
         if config['mpi']:
             mpi_args = [config['mpiexec'], '-n', config['mpi_np']]
diff --git a/tests/regression_tests/random_ray_auto_convert/__init__.py b/tests/regression_tests/random_ray_auto_convert/__init__.py
new file mode 100644
index 000000000..e69de29bb
diff --git a/tests/regression_tests/random_ray_auto_convert/infinite_medium/inputs_true.dat b/tests/regression_tests/random_ray_auto_convert/infinite_medium/inputs_true.dat
new file mode 100644
index 000000000..02be4ea7a
--- /dev/null
+++ b/tests/regression_tests/random_ray_auto_convert/infinite_medium/inputs_true.dat
@@ -0,0 +1,64 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <cross_sections>mgxs.h5</cross_sections>
+    <material depletable="true" id="1" name="UO2__2_4__">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="UO2__2_4__"/>
+    </material>
+    <material id="2" name="Zircaloy">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="Zircaloy"/>
+    </material>
+    <material id="3" name="Hot_borated_water">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="Hot_borated_water"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" name="Fuel" region="-1" universe="0"/>
+    <cell id="2" material="2" name="Cladding" region="1 -2" universe="0"/>
+    <cell id="3" material="3" name="Water" region="2 3 -4 5 -6" universe="0"/>
+    <surface coeffs="0 0 0.39218" id="1" name="Fuel OR" type="z-cylinder"/>
+    <surface coeffs="0 0 0.4572" id="2" name="Clad OR" type="z-cylinder"/>
+    <surface boundary="reflective" coeffs="-0.63" id="3" name="left" type="x-plane"/>
+    <surface boundary="reflective" coeffs="0.63" id="4" name="right" type="x-plane"/>
+    <surface boundary="reflective" coeffs="-0.63" id="5" name="bottom" type="y-plane"/>
+    <surface boundary="reflective" coeffs="0.63" id="6" name="top" type="y-plane"/>
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>10</batches>
+    <inactive>5</inactive>
+    <source particle="neutron" strength="1.0" type="independent">
+      <space type="box">
+        <parameters>-0.63 -0.63 -1 0.63 0.63 1</parameters>
+      </space>
+      <constraints>
+        <fissionable>true</fissionable>
+      </constraints>
+    </source>
+    <energy_mode>multi-group</energy_mode>
+    <random_ray>
+      <source particle="neutron" strength="1.0" type="independent">
+        <space type="box">
+          <parameters>-0.63 -0.63 -1.0 0.63 0.63 1.0</parameters>
+        </space>
+      </source>
+      <distance_inactive>30.0</distance_inactive>
+      <distance_active>150.0</distance_active>
+      <source_region_meshes>
+        <mesh id="1">
+          <domain id="0" type="universe"/>
+        </mesh>
+      </source_region_meshes>
+      <source_shape>linear</source_shape>
+    </random_ray>
+    <mesh id="1">
+      <dimension>2 2</dimension>
+      <lower_left>-0.63 -0.63</lower_left>
+      <upper_right>0.63 0.63</upper_right>
+    </mesh>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/random_ray_auto_convert/infinite_medium/results_true.dat b/tests/regression_tests/random_ray_auto_convert/infinite_medium/results_true.dat
new file mode 100644
index 000000000..a0d7fc545
--- /dev/null
+++ b/tests/regression_tests/random_ray_auto_convert/infinite_medium/results_true.dat
@@ -0,0 +1,2 @@
+k-combined:
+7.796949E-01 1.055316E-02
diff --git a/tests/regression_tests/random_ray_auto_convert/material_wise/inputs_true.dat b/tests/regression_tests/random_ray_auto_convert/material_wise/inputs_true.dat
new file mode 100644
index 000000000..02be4ea7a
--- /dev/null
+++ b/tests/regression_tests/random_ray_auto_convert/material_wise/inputs_true.dat
@@ -0,0 +1,64 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <cross_sections>mgxs.h5</cross_sections>
+    <material depletable="true" id="1" name="UO2__2_4__">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="UO2__2_4__"/>
+    </material>
+    <material id="2" name="Zircaloy">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="Zircaloy"/>
+    </material>
+    <material id="3" name="Hot_borated_water">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="Hot_borated_water"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" name="Fuel" region="-1" universe="0"/>
+    <cell id="2" material="2" name="Cladding" region="1 -2" universe="0"/>
+    <cell id="3" material="3" name="Water" region="2 3 -4 5 -6" universe="0"/>
+    <surface coeffs="0 0 0.39218" id="1" name="Fuel OR" type="z-cylinder"/>
+    <surface coeffs="0 0 0.4572" id="2" name="Clad OR" type="z-cylinder"/>
+    <surface boundary="reflective" coeffs="-0.63" id="3" name="left" type="x-plane"/>
+    <surface boundary="reflective" coeffs="0.63" id="4" name="right" type="x-plane"/>
+    <surface boundary="reflective" coeffs="-0.63" id="5" name="bottom" type="y-plane"/>
+    <surface boundary="reflective" coeffs="0.63" id="6" name="top" type="y-plane"/>
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>10</batches>
+    <inactive>5</inactive>
+    <source particle="neutron" strength="1.0" type="independent">
+      <space type="box">
+        <parameters>-0.63 -0.63 -1 0.63 0.63 1</parameters>
+      </space>
+      <constraints>
+        <fissionable>true</fissionable>
+      </constraints>
+    </source>
+    <energy_mode>multi-group</energy_mode>
+    <random_ray>
+      <source particle="neutron" strength="1.0" type="independent">
+        <space type="box">
+          <parameters>-0.63 -0.63 -1.0 0.63 0.63 1.0</parameters>
+        </space>
+      </source>
+      <distance_inactive>30.0</distance_inactive>
+      <distance_active>150.0</distance_active>
+      <source_region_meshes>
+        <mesh id="1">
+          <domain id="0" type="universe"/>
+        </mesh>
+      </source_region_meshes>
+      <source_shape>linear</source_shape>
+    </random_ray>
+    <mesh id="1">
+      <dimension>2 2</dimension>
+      <lower_left>-0.63 -0.63</lower_left>
+      <upper_right>0.63 0.63</upper_right>
+    </mesh>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/random_ray_auto_convert/material_wise/results_true.dat b/tests/regression_tests/random_ray_auto_convert/material_wise/results_true.dat
new file mode 100644
index 000000000..ebf510cfc
--- /dev/null
+++ b/tests/regression_tests/random_ray_auto_convert/material_wise/results_true.dat
@@ -0,0 +1,2 @@
+k-combined:
+7.375068E-01 7.015839E-03
diff --git a/tests/regression_tests/random_ray_auto_convert/stochastic_slab/inputs_true.dat b/tests/regression_tests/random_ray_auto_convert/stochastic_slab/inputs_true.dat
new file mode 100644
index 000000000..02be4ea7a
--- /dev/null
+++ b/tests/regression_tests/random_ray_auto_convert/stochastic_slab/inputs_true.dat
@@ -0,0 +1,64 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <cross_sections>mgxs.h5</cross_sections>
+    <material depletable="true" id="1" name="UO2__2_4__">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="UO2__2_4__"/>
+    </material>
+    <material id="2" name="Zircaloy">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="Zircaloy"/>
+    </material>
+    <material id="3" name="Hot_borated_water">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="Hot_borated_water"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" name="Fuel" region="-1" universe="0"/>
+    <cell id="2" material="2" name="Cladding" region="1 -2" universe="0"/>
+    <cell id="3" material="3" name="Water" region="2 3 -4 5 -6" universe="0"/>
+    <surface coeffs="0 0 0.39218" id="1" name="Fuel OR" type="z-cylinder"/>
+    <surface coeffs="0 0 0.4572" id="2" name="Clad OR" type="z-cylinder"/>
+    <surface boundary="reflective" coeffs="-0.63" id="3" name="left" type="x-plane"/>
+    <surface boundary="reflective" coeffs="0.63" id="4" name="right" type="x-plane"/>
+    <surface boundary="reflective" coeffs="-0.63" id="5" name="bottom" type="y-plane"/>
+    <surface boundary="reflective" coeffs="0.63" id="6" name="top" type="y-plane"/>
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>10</batches>
+    <inactive>5</inactive>
+    <source particle="neutron" strength="1.0" type="independent">
+      <space type="box">
+        <parameters>-0.63 -0.63 -1 0.63 0.63 1</parameters>
+      </space>
+      <constraints>
+        <fissionable>true</fissionable>
+      </constraints>
+    </source>
+    <energy_mode>multi-group</energy_mode>
+    <random_ray>
+      <source particle="neutron" strength="1.0" type="independent">
+        <space type="box">
+          <parameters>-0.63 -0.63 -1.0 0.63 0.63 1.0</parameters>
+        </space>
+      </source>
+      <distance_inactive>30.0</distance_inactive>
+      <distance_active>150.0</distance_active>
+      <source_region_meshes>
+        <mesh id="1">
+          <domain id="0" type="universe"/>
+        </mesh>
+      </source_region_meshes>
+      <source_shape>linear</source_shape>
+    </random_ray>
+    <mesh id="1">
+      <dimension>2 2</dimension>
+      <lower_left>-0.63 -0.63</lower_left>
+      <upper_right>0.63 0.63</upper_right>
+    </mesh>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/random_ray_auto_convert/stochastic_slab/results_true.dat b/tests/regression_tests/random_ray_auto_convert/stochastic_slab/results_true.dat
new file mode 100644
index 000000000..2f444fad3
--- /dev/null
+++ b/tests/regression_tests/random_ray_auto_convert/stochastic_slab/results_true.dat
@@ -0,0 +1,2 @@
+k-combined:
+7.499679E-01 8.107614E-03
diff --git a/tests/regression_tests/random_ray_auto_convert/test.py b/tests/regression_tests/random_ray_auto_convert/test.py
new file mode 100644
index 000000000..fa7f2f17f
--- /dev/null
+++ b/tests/regression_tests/random_ray_auto_convert/test.py
@@ -0,0 +1,54 @@
+import os
+
+import openmc
+from openmc.examples import pwr_pin_cell
+from openmc import RegularMesh
+from openmc.utility_funcs import change_directory
+import pytest
+
+from tests.testing_harness import TolerantPyAPITestHarness
+
+
+class MGXSTestHarness(TolerantPyAPITestHarness):
+    def _cleanup(self):
+        super()._cleanup()
+        f = 'mgxs.h5'
+        if os.path.exists(f):
+            os.remove(f)
+
+
+@pytest.mark.parametrize("method", ["material_wise", "stochastic_slab", "infinite_medium"])
+def test_random_ray_auto_convert(method):
+    with change_directory(method):
+        openmc.reset_auto_ids()
+
+        # Start with a normal continuous energy model
+        model = pwr_pin_cell()
+
+        # Convert to a multi-group model
+        model.convert_to_multigroup(
+            method=method, groups='CASMO-2', nparticles=30,
+            overwrite_mgxs_library=False, mgxs_path="mgxs.h5"
+        )
+
+        # Convert to a random ray model
+        model.convert_to_random_ray()
+
+        # Set the number of particles
+        model.settings.particles = 100
+
+        # Overlay a basic 2x2 mesh
+        n = 2
+        mesh = RegularMesh()
+        mesh.dimension = (n, n)
+        bbox = model.geometry.bounding_box
+        mesh.lower_left = (bbox.lower_left[0], bbox.lower_left[1])
+        mesh.upper_right = (bbox.upper_right[0], bbox.upper_right[1])
+        model.settings.random_ray['source_region_meshes'] = [
+            (mesh, [model.geometry.root_universe])]
+
+        # Set the source shape to linear
+        model.settings.random_ray['source_shape'] = 'linear'
+
+        harness = MGXSTestHarness('statepoint.10.h5', model)
+        harness.main()
diff --git a/tests/regression_tests/random_ray_diagonal_stabilization/__init__.py b/tests/regression_tests/random_ray_diagonal_stabilization/__init__.py
new file mode 100644
index 000000000..e69de29bb
diff --git a/tests/regression_tests/random_ray_diagonal_stabilization/inputs_true.dat b/tests/regression_tests/random_ray_diagonal_stabilization/inputs_true.dat
new file mode 100644
index 000000000..4d4ed76dc
--- /dev/null
+++ b/tests/regression_tests/random_ray_diagonal_stabilization/inputs_true.dat
@@ -0,0 +1,65 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <cross_sections>mgxs.h5</cross_sections>
+    <material depletable="true" id="1" name="UO2__2_4__">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="UO2__2_4__"/>
+    </material>
+    <material id="2" name="Zircaloy">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="Zircaloy"/>
+    </material>
+    <material id="3" name="Hot_borated_water">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="Hot_borated_water"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" name="Fuel" region="-1" universe="0"/>
+    <cell id="2" material="2" name="Cladding" region="1 -2" universe="0"/>
+    <cell id="3" material="3" name="Water" region="2 3 -4 5 -6" universe="0"/>
+    <surface coeffs="0 0 0.39218" id="1" name="Fuel OR" type="z-cylinder"/>
+    <surface coeffs="0 0 0.4572" id="2" name="Clad OR" type="z-cylinder"/>
+    <surface boundary="reflective" coeffs="-0.63" id="3" name="left" type="x-plane"/>
+    <surface boundary="reflective" coeffs="0.63" id="4" name="right" type="x-plane"/>
+    <surface boundary="reflective" coeffs="-0.63" id="5" name="bottom" type="y-plane"/>
+    <surface boundary="reflective" coeffs="0.63" id="6" name="top" type="y-plane"/>
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>20</batches>
+    <inactive>15</inactive>
+    <source particle="neutron" strength="1.0" type="independent">
+      <space type="box">
+        <parameters>-0.63 -0.63 -1 0.63 0.63 1</parameters>
+      </space>
+      <constraints>
+        <fissionable>true</fissionable>
+      </constraints>
+    </source>
+    <energy_mode>multi-group</energy_mode>
+    <random_ray>
+      <source particle="neutron" strength="1.0" type="independent">
+        <space type="box">
+          <parameters>-0.63 -0.63 -1.0 0.63 0.63 1.0</parameters>
+        </space>
+      </source>
+      <distance_inactive>30.0</distance_inactive>
+      <distance_active>150.0</distance_active>
+      <source_region_meshes>
+        <mesh id="1">
+          <domain id="0" type="universe"/>
+        </mesh>
+      </source_region_meshes>
+      <source_shape>linear</source_shape>
+      <diagonal_stabilization_rho>0.5</diagonal_stabilization_rho>
+    </random_ray>
+    <mesh id="1">
+      <dimension>2 2</dimension>
+      <lower_left>-0.63 -0.63</lower_left>
+      <upper_right>0.63 0.63</upper_right>
+    </mesh>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/random_ray_diagonal_stabilization/results_true.dat b/tests/regression_tests/random_ray_diagonal_stabilization/results_true.dat
new file mode 100644
index 000000000..c6ce6aab9
--- /dev/null
+++ b/tests/regression_tests/random_ray_diagonal_stabilization/results_true.dat
@@ -0,0 +1,2 @@
+k-combined:
+7.152917E-01 1.430362E-02
diff --git a/tests/regression_tests/random_ray_diagonal_stabilization/test.py b/tests/regression_tests/random_ray_diagonal_stabilization/test.py
new file mode 100644
index 000000000..c7a1c9f7c
--- /dev/null
+++ b/tests/regression_tests/random_ray_diagonal_stabilization/test.py
@@ -0,0 +1,61 @@
+import os
+
+from openmc.examples import pwr_pin_cell
+from openmc import RegularMesh
+
+from tests.testing_harness import TolerantPyAPITestHarness
+
+
+class MGXSTestHarness(TolerantPyAPITestHarness):
+    def _cleanup(self):
+        super()._cleanup()
+        f = 'mgxs.h5'
+        if os.path.exists(f):
+            os.remove(f)
+
+
+def test_random_ray_diagonal_stabilization():
+    # Start with a normal continuous energy model
+    model = pwr_pin_cell()
+
+    # Convert to a multi-group model, with 70 group XS
+    # and transport correction enabled. This will generate
+    # MGXS data with some negatives on the diagonal, in order
+    # to trigger diagonal correction.
+    model.convert_to_multigroup(
+        method='material_wise', groups='CASMO-70', nparticles=30,
+        overwrite_mgxs_library=True, mgxs_path="mgxs.h5", correction='P0'
+    )
+
+    # Convert to a random ray model
+    model.convert_to_random_ray()
+
+    # Set the number of particles
+    model.settings.particles = 100
+
+    # Overlay a basic 2x2 mesh
+    n = 2
+    mesh = RegularMesh()
+    mesh.dimension = (n, n)
+    bbox = model.geometry.bounding_box
+    mesh.lower_left = (bbox.lower_left[0], bbox.lower_left[1])
+    mesh.upper_right = (bbox.upper_right[0], bbox.upper_right[1])
+    model.settings.random_ray['source_region_meshes'] = [
+        (mesh, [model.geometry.root_universe])]
+
+    # Set the source shape to linear
+    model.settings.random_ray['source_shape'] = 'linear'
+
+    # Explicitly set the diagonal stabilization rho (default is otherwise 1.0).
+    # Note that if we set this to 0.0 (thus distabling stabilization), the
+    # problem should fail due to instability, so this is actually a good test
+    # problem.
+    model.settings.random_ray['diagonal_stabilization_rho'] = 0.5
+
+    # If rho was 0.0, the instability would cause failure after iteration 14,
+    # so we go a little past that.
+    model.settings.inactive = 15
+    model.settings.batches = 20
+
+    harness = MGXSTestHarness('statepoint.20.h5', model)
+    harness.main()
diff --git a/tools/ci/gha-install-dagmc.sh b/tools/ci/gha-install-dagmc.sh
index 82759c9bc..8d0648a50 100755
--- a/tools/ci/gha-install-dagmc.sh
+++ b/tools/ci/gha-install-dagmc.sh
@@ -3,7 +3,7 @@
 set -ex
 
 # MOAB Variables
-MOAB_BRANCH='Version5.1.0'
+MOAB_BRANCH='5.5.1'
 MOAB_REPO='https://bitbucket.org/fathomteam/moab/'
 MOAB_INSTALL_DIR=$HOME/MOAB/
 
@@ -19,7 +19,7 @@ cd $HOME
 mkdir MOAB && cd MOAB
 git clone -b $MOAB_BRANCH $MOAB_REPO
 mkdir build && cd build
-cmake ../moab -DENABLE_HDF5=ON -DENABLE_NETCDF=ON -DBUILD_SHARED_LIBS=ON -DCMAKE_INSTALL_PREFIX=$MOAB_INSTALL_DIR -DENABLE_BLASLAPACK=OFF
+cmake ../moab -DENABLE_HDF5=ON -DENABLE_NETCDF=ON -DBUILD_SHARED_LIBS=ON -DCMAKE_INSTALL_PREFIX=$MOAB_INSTALL_DIR
 make -j && make -j install
 rm -rf $HOME/MOAB/moab $HOME/MOAB/build
 

From 07f5334616c2ca92ad0a04dfa8c900e080509f70 Mon Sep 17 00:00:00 2001
From: John Tramm <john.tramm@gmail.com>
Date: Wed, 2 Apr 2025 00:40:07 -0500
Subject: [PATCH 2285/2654] Random Ray Point Source Locator (#3360)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 docs/source/methods/random_ray.rst            |   3 +-
 docs/source/usersguide/random_ray.rst         |   9 +-
 .../openmc/random_ray/flat_source_domain.h    |   8 +-
 src/random_ray/flat_source_domain.cpp         | 119 ++++++--
 src/random_ray/random_ray_simulation.cpp      |  23 +-
 .../__init__.py                               |   0
 .../inputs_true.dat                           | 253 ++++++++++++++++++
 .../results_true.dat                          |   9 +
 .../random_ray_point_source_locator/test.py   |  44 +++
 9 files changed, 435 insertions(+), 33 deletions(-)
 create mode 100644 tests/regression_tests/random_ray_point_source_locator/__init__.py
 create mode 100644 tests/regression_tests/random_ray_point_source_locator/inputs_true.dat
 create mode 100644 tests/regression_tests/random_ray_point_source_locator/results_true.dat
 create mode 100644 tests/regression_tests/random_ray_point_source_locator/test.py

diff --git a/docs/source/methods/random_ray.rst b/docs/source/methods/random_ray.rst
index eb22b0544..41f95f0a9 100644
--- a/docs/source/methods/random_ray.rst
+++ b/docs/source/methods/random_ray.rst
@@ -1052,7 +1052,8 @@ random ray and Monte Carlo, however.
   regions. Thus, in the OpenMC implementation of random ray, particle sources
   are restricted to being volumetric and isotropic, although different energy
   spectrums are supported. Fixed sources can be applied to specific materials,
-  cells, or universes.
+  cells, or universes. Point sources are "smeared" to fill the volume of the
+  source region that contains the point source coordinate.
 
 - **Inactive batches:** In Monte Carlo, use of a fixed source implies that all
   batches are active batches, as there is no longer a need to develop a fission
diff --git a/docs/source/usersguide/random_ray.rst b/docs/source/usersguide/random_ray.rst
index ce9821196..138ae910c 100644
--- a/docs/source/usersguide/random_ray.rst
+++ b/docs/source/usersguide/random_ray.rst
@@ -919,9 +919,12 @@ Monte Carlo solver.
 Currently, all of the following conditions must be met for the particle source
 to be valid in random ray mode:
 
-- One or more domain ids must be specified that indicate which cells, universes,
-  or materials the source applies to. This implicitly limits the source type to
-  being volumetric. This is specified via the ``domains`` constraint placed on the
+- Either a point source must be used, or a domain constraint must be specified
+  that indicates which cells, universes, or materials the source applies to. In
+  either case, this implicitly limits the source type to being volumetric, as
+  even in the point source case the source will be "smeared" throughout the
+  source region that contains the point source coordinate. A source domain is
+  specified via the ``domains`` constraint placed on the
   :class:`openmc.IndependentSource` Python class.
 - The source must be isotropic (default for a source)
 - The source must use a discrete (i.e., multigroup) energy distribution. The
diff --git a/include/openmc/random_ray/flat_source_domain.h b/include/openmc/random_ray/flat_source_domain.h
index 656b0354a..9fdd55875 100644
--- a/include/openmc/random_ray/flat_source_domain.h
+++ b/include/openmc/random_ray/flat_source_domain.h
@@ -131,6 +131,12 @@ public:
   std::unordered_map<SourceRegionKey, int64_t, SourceRegionKey::HashFunctor>
     source_region_map_;
 
+  // Map that relates a SourceRegionKey to the external source index. This map
+  // is used to check if there are any point sources within a subdivided source
+  // region at the time it is discovered.
+  std::unordered_map<SourceRegionKey, int64_t, SourceRegionKey::HashFunctor>
+    point_source_map_;
+
   // If transport corrected MGXS data is being used, there may be negative
   // in-group scattering cross sections that can result in instability in MOC
   // and random ray if used naively. This flag enables a stabilization
@@ -141,7 +147,7 @@ protected:
   //----------------------------------------------------------------------------
   // Methods
   void apply_external_source_to_source_region(
-    Discrete* discrete, double strength_factor, int64_t sr);
+    Discrete* discrete, double strength_factor, SourceRegionHandle& srh);
   void apply_external_source_to_cell_instances(int32_t i_cell,
     Discrete* discrete, double strength_factor, int target_material_id,
     const vector<int32_t>& instances);
diff --git a/src/random_ray/flat_source_domain.cpp b/src/random_ray/flat_source_domain.cpp
index ff8e5d232..8ab30abf2 100644
--- a/src/random_ray/flat_source_domain.cpp
+++ b/src/random_ray/flat_source_domain.cpp
@@ -946,17 +946,16 @@ void FlatSourceDomain::output_to_vtk() const
 }
 
 void FlatSourceDomain::apply_external_source_to_source_region(
-  Discrete* discrete, double strength_factor, int64_t sr)
+  Discrete* discrete, double strength_factor, SourceRegionHandle& srh)
 {
-  source_regions_.external_source_present(sr) = 1;
+  srh.external_source_present() = 1;
 
   const auto& discrete_energies = discrete->x();
   const auto& discrete_probs = discrete->prob();
 
   for (int i = 0; i < discrete_energies.size(); i++) {
     int g = data::mg.get_group_index(discrete_energies[i]);
-    source_regions_.external_source(sr, g) +=
-      discrete_probs[i] * strength_factor;
+    srh.external_source(g) += discrete_probs[i] * strength_factor;
   }
 }
 
@@ -980,8 +979,9 @@ void FlatSourceDomain::apply_external_source_to_cell_instances(int32_t i_cell,
     if (target_material_id == C_NONE ||
         cell_material_id == target_material_id) {
       int64_t source_region = source_region_offsets_[i_cell] + j;
-      apply_external_source_to_source_region(
-        discrete, strength_factor, source_region);
+      SourceRegionHandle srh =
+        source_regions_.get_source_region_handle(source_region);
+      apply_external_source_to_source_region(discrete, strength_factor, srh);
     }
   }
 }
@@ -1023,34 +1023,88 @@ void FlatSourceDomain::convert_external_sources()
 {
   // Loop over external sources
   for (int es = 0; es < model::external_sources.size(); es++) {
+
+    // Extract source information
     Source* s = model::external_sources[es].get();
     IndependentSource* is = dynamic_cast<IndependentSource*>(s);
     Discrete* energy = dynamic_cast<Discrete*>(is->energy());
     const std::unordered_set<int32_t>& domain_ids = is->domain_ids();
-
     double strength_factor = is->strength();
 
-    if (is->domain_type() == Source::DomainType::MATERIAL) {
-      for (int32_t material_id : domain_ids) {
-        for (int i_cell = 0; i_cell < model::cells.size(); i_cell++) {
-          apply_external_source_to_cell_and_children(
-            i_cell, energy, strength_factor, material_id);
+    // If there is no domain constraint specified, then this must be a point
+    // source. In this case, we need to find the source region that contains the
+    // point source and apply or relate it to the external source.
+    if (is->domain_ids().size() == 0) {
+
+      // Extract the point source coordinate and find the base source region at
+      // that point
+      auto sp = dynamic_cast<SpatialPoint*>(is->space());
+      GeometryState gs;
+      gs.r() = sp->r();
+      gs.r_last() = sp->r();
+      gs.u() = {1.0, 0.0, 0.0};
+      bool found = exhaustive_find_cell(gs);
+      if (!found) {
+        fatal_error(fmt::format("Could not find cell containing external "
+                                "point source at {}",
+          sp->r()));
+      }
+      int i_cell = gs.lowest_coord().cell;
+      int64_t sr = source_region_offsets_[i_cell] + gs.cell_instance();
+
+      if (RandomRay::mesh_subdivision_enabled_) {
+        // If mesh subdivision is enabled, we need to determine which subdivided
+        // mesh bin the point source coordinate is in as well
+        int mesh_idx = source_regions_.mesh(sr);
+        int mesh_bin;
+        if (mesh_idx == C_NONE) {
+          mesh_bin = 0;
+        } else {
+          mesh_bin = model::meshes[mesh_idx]->get_bin(gs.r());
         }
+        // With the source region and mesh bin known, we can use the
+        // accompanying SourceRegionKey as a key into a map that stores the
+        // corresponding external source index for the point source. Notably, we
+        // do not actually apply the external source to any source regions here,
+        // as if mesh subdivision is enabled, they haven't actually been
+        // discovered & initilized yet. When discovered, they will read from the
+        // point_source_map to determine if there are any point source terms
+        // that should be applied.
+        SourceRegionKey key {sr, mesh_bin};
+        point_source_map_[key] = es;
+      } else {
+        // If we are not using mesh subdivision, we can apply the external
+        // source directly to the source region as we do for volumetric domain
+        // constraint sources.
+        SourceRegionHandle srh = source_regions_.get_source_region_handle(sr);
+        apply_external_source_to_source_region(energy, strength_factor, srh);
       }
-    } else if (is->domain_type() == Source::DomainType::CELL) {
-      for (int32_t cell_id : domain_ids) {
-        int32_t i_cell = model::cell_map[cell_id];
-        apply_external_source_to_cell_and_children(
-          i_cell, energy, strength_factor, C_NONE);
-      }
-    } else if (is->domain_type() == Source::DomainType::UNIVERSE) {
-      for (int32_t universe_id : domain_ids) {
-        int32_t i_universe = model::universe_map[universe_id];
-        Universe& universe = *model::universes[i_universe];
-        for (int32_t i_cell : universe.cells_) {
+
+    } else {
+      // If not a point source, then use the volumetric domain constraints to
+      // determine which source regions to apply the external source to.
+      if (is->domain_type() == Source::DomainType::MATERIAL) {
+        for (int32_t material_id : domain_ids) {
+          for (int i_cell = 0; i_cell < model::cells.size(); i_cell++) {
+            apply_external_source_to_cell_and_children(
+              i_cell, energy, strength_factor, material_id);
+          }
+        }
+      } else if (is->domain_type() == Source::DomainType::CELL) {
+        for (int32_t cell_id : domain_ids) {
+          int32_t i_cell = model::cell_map[cell_id];
           apply_external_source_to_cell_and_children(
             i_cell, energy, strength_factor, C_NONE);
         }
+      } else if (is->domain_type() == Source::DomainType::UNIVERSE) {
+        for (int32_t universe_id : domain_ids) {
+          int32_t i_universe = model::universe_map[universe_id];
+          Universe& universe = *model::universes[i_universe];
+          for (int32_t i_cell : universe.cells_) {
+            apply_external_source_to_cell_and_children(
+              i_cell, energy, strength_factor, C_NONE);
+          }
+        }
       }
     }
   } // End loop over external sources
@@ -1399,6 +1453,25 @@ SourceRegionHandle FlatSourceDomain::get_subdivided_source_region_handle(
     sr_key, {base_source_regions_.get_source_region_handle(sr), sr});
   discovered_source_regions_.unlock(sr_key);
   SourceRegionHandle handle {*sr_ptr};
+
+  // Check if the new source region contains a point source and apply it if so
+  auto it2 = point_source_map_.find(sr_key);
+  if (it2 != point_source_map_.end()) {
+    int es = it2->second;
+    auto s = model::external_sources[es].get();
+    auto is = dynamic_cast<IndependentSource*>(s);
+    auto energy = dynamic_cast<Discrete*>(is->energy());
+    double strength_factor = is->strength();
+    apply_external_source_to_source_region(energy, strength_factor, handle);
+    int material = handle.material();
+    if (material != MATERIAL_VOID) {
+      for (int g = 0; g < negroups_; g++) {
+        double sigma_t = sigma_t_[material * negroups_ + g];
+        handle.external_source(g) /= sigma_t;
+      }
+    }
+  }
+
   return handle;
 }
 
diff --git a/src/random_ray/random_ray_simulation.cpp b/src/random_ray/random_ray_simulation.cpp
index 60b00a5be..b831efcd9 100644
--- a/src/random_ray/random_ray_simulation.cpp
+++ b/src/random_ray/random_ray_simulation.cpp
@@ -281,10 +281,21 @@ void validate_random_ray_inputs()
           "allowed in random ray mode.");
       }
 
-      // Validate that a domain ID was specified
-      if (is->domain_ids().size() == 0) {
-        fatal_error("Fixed sources must be specified by domain "
-                    "id (cell, material, or universe) in random ray mode.");
+      // Validate that a domain ID was specified OR that it is a point source
+      auto sp = dynamic_cast<SpatialPoint*>(is->space());
+      if (is->domain_ids().size() == 0 && !sp) {
+        fatal_error("Fixed sources must be point source or spatially "
+                    "constrained by domain id (cell, material, or universe) in "
+                    "random ray mode.");
+      } else if (is->domain_ids().size() > 0 && sp) {
+        // If both a domain constraint and a non-default point source location
+        // are specified, notify user that domain constraint takes precedence.
+        if (sp->r().x == 0.0 && sp->r().y == 0.0 && sp->r().z == 0.0) {
+          warning("Fixed source has both a domain constraint and a point "
+                  "type spatial distribution. The domain constraint takes "
+                  "precedence in random ray mode -- point source coordinate "
+                  "will be ignored.");
+        }
       }
 
       // Check that a discrete energy distribution was used
@@ -393,12 +404,12 @@ RandomRaySimulation::RandomRaySimulation()
 
 void RandomRaySimulation::apply_fixed_sources_and_mesh_domains()
 {
+  domain_->apply_meshes();
   if (settings::run_mode == RunMode::FIXED_SOURCE) {
     // Transfer external source user inputs onto random ray source regions
     domain_->convert_external_sources();
     domain_->count_external_source_regions();
   }
-  domain_->apply_meshes();
 }
 
 void RandomRaySimulation::prepare_fixed_sources_adjoint(
@@ -517,6 +528,8 @@ void RandomRaySimulation::simulate()
     finalize_generation();
     finalize_batch();
   } // End random ray power iteration loop
+
+  domain_->count_external_source_regions();
 }
 
 void RandomRaySimulation::output_simulation_results() const
diff --git a/tests/regression_tests/random_ray_point_source_locator/__init__.py b/tests/regression_tests/random_ray_point_source_locator/__init__.py
new file mode 100644
index 000000000..e69de29bb
diff --git a/tests/regression_tests/random_ray_point_source_locator/inputs_true.dat b/tests/regression_tests/random_ray_point_source_locator/inputs_true.dat
new file mode 100644
index 000000000..9c7cd4ab5
--- /dev/null
+++ b/tests/regression_tests/random_ray_point_source_locator/inputs_true.dat
@@ -0,0 +1,253 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <cross_sections>mgxs.h5</cross_sections>
+    <material id="1" name="source">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="source"/>
+    </material>
+    <material id="2" name="void">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="void"/>
+    </material>
+    <material id="3" name="absorber">
+      <density units="macro" value="1.0"/>
+      <macroscopic name="absorber"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" name="infinite source region" universe="1"/>
+    <cell id="2" material="2" name="infinite void region" universe="2"/>
+    <cell id="3" material="3" name="infinite absorber region" universe="3"/>
+    <cell fill="4" id="4" universe="5"/>
+    <cell fill="5" id="5" name="full domain" region="1 -2 3 -4 5 -6" universe="6"/>
+    <lattice id="4">
+      <pitch>2.5 2.5 2.5</pitch>
+      <dimension>12 12 12</dimension>
+      <lower_left>0.0 0.0 0.0</lower_left>
+      <universes>
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+1 1 2 2 2 2 2 2 2 2 3 3 
+1 1 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+1 1 2 2 2 2 2 2 2 2 3 3 
+1 1 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 </universes>
+    </lattice>
+    <surface boundary="reflective" coeffs="0.0" id="1" type="x-plane"/>
+    <surface boundary="vacuum" coeffs="30.0" id="2" type="x-plane"/>
+    <surface boundary="reflective" coeffs="0.0" id="3" type="y-plane"/>
+    <surface boundary="vacuum" coeffs="30.0" id="4" type="y-plane"/>
+    <surface boundary="reflective" coeffs="0.0" id="5" type="z-plane"/>
+    <surface boundary="vacuum" coeffs="30.0" id="6" type="z-plane"/>
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>90</particles>
+    <batches>30</batches>
+    <inactive>15</inactive>
+    <source particle="neutron" strength="3.14" type="independent">
+      <space type="point">
+        <parameters>2.5 2.5 2.5</parameters>
+      </space>
+      <energy type="discrete">
+        <parameters>100.0 1.0</parameters>
+      </energy>
+    </source>
+    <energy_mode>multi-group</energy_mode>
+    <random_ray>
+      <distance_active>500.0</distance_active>
+      <distance_inactive>100.0</distance_inactive>
+      <source particle="neutron" strength="1.0" type="independent">
+        <space type="box">
+          <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
+        </space>
+      </source>
+      <volume_normalized_flux_tallies>True</volume_normalized_flux_tallies>
+      <source_region_meshes>
+        <mesh id="1">
+          <domain id="6" type="universe"/>
+        </mesh>
+      </source_region_meshes>
+    </random_ray>
+    <mesh id="1">
+      <dimension>30 30 30</dimension>
+      <lower_left>0.0 0.0 0.0</lower_left>
+      <upper_right>30.0 30.0 30.0</upper_right>
+    </mesh>
+  </settings>
+  <tallies>
+    <filter id="3" type="material">
+      <bins>1</bins>
+    </filter>
+    <filter id="2" type="material">
+      <bins>2</bins>
+    </filter>
+    <filter id="1" type="material">
+      <bins>3</bins>
+    </filter>
+    <tally id="3" name="Source Tally">
+      <filters>3</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="2" name="Void Tally">
+      <filters>2</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="1" name="Absorber Tally">
+      <filters>1</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/random_ray_point_source_locator/results_true.dat b/tests/regression_tests/random_ray_point_source_locator/results_true.dat
new file mode 100644
index 000000000..1785dda57
--- /dev/null
+++ b/tests/regression_tests/random_ray_point_source_locator/results_true.dat
@@ -0,0 +1,9 @@
+tally 1:
+2.633900E+00
+2.948207E+00
+tally 2:
+1.440463E-01
+3.294032E-03
+tally 3:
+9.425207E-03
+1.089748E-05
diff --git a/tests/regression_tests/random_ray_point_source_locator/test.py b/tests/regression_tests/random_ray_point_source_locator/test.py
new file mode 100644
index 000000000..fd3d8a18f
--- /dev/null
+++ b/tests/regression_tests/random_ray_point_source_locator/test.py
@@ -0,0 +1,44 @@
+import os
+
+import openmc
+from openmc.examples import random_ray_three_region_cube
+
+from tests.testing_harness import TolerantPyAPITestHarness
+
+
+class MGXSTestHarness(TolerantPyAPITestHarness):
+    def _cleanup(self):
+        super()._cleanup()
+        f = 'mgxs.h5'
+        if os.path.exists(f):
+            os.remove(f)
+
+
+def test_random_ray_point_source_locator():
+    model = random_ray_three_region_cube()
+
+    # Overlay subdivided SR mesh to reduce resolution from 2.5cm -> 1cm
+    width = 30.0
+    mesh = openmc.RegularMesh()
+    mesh.dimension = (30, 30, 30)
+    mesh.lower_left = (0.0, 0.0, 0.0)
+    mesh.upper_right = (width, width, width)
+    model.settings.random_ray['source_region_meshes'] = [
+        (mesh, [model.geometry.root_universe]),
+    ]
+
+    # Define a point source
+    strengths = [1.0]
+    midpoints = [100.0]
+    energy_distribution = openmc.stats.Discrete(x=midpoints, p=strengths)
+    spatial_distribution = openmc.stats.Point([2.5, 2.5, 2.5])
+    source = openmc.IndependentSource(
+        energy=energy_distribution, space=spatial_distribution, strength=3.14)
+    model.settings.source = [source]
+
+    # Settings
+    model.settings.inactive = 15
+    model.settings.batches = 30
+
+    harness = MGXSTestHarness('statepoint.30.h5', model)
+    harness.main()

From cdc254ccf4245282d5aff19bd769daf180ef1a37 Mon Sep 17 00:00:00 2001
From: John Tramm <john.tramm@gmail.com>
Date: Thu, 10 Apr 2025 12:31:33 -0500
Subject: [PATCH 2286/2654] Fix for Issue Loading MGXS Data Files with LLVM 20
 or Newer (#3368)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 src/mgxs.cpp | 16 +++++++++++++++-
 1 file changed, 15 insertions(+), 1 deletion(-)

diff --git a/src/mgxs.cpp b/src/mgxs.cpp
index eae3e5817..a88d2c196 100644
--- a/src/mgxs.cpp
+++ b/src/mgxs.cpp
@@ -99,7 +99,21 @@ void Mgxs::metadata_from_hdf5(hid_t xs_id, const vector<double>& temperature,
   case TemperatureMethod::NEAREST:
     // Determine actual temperatures to read
     for (const auto& T : temperature) {
-      auto i_closest = xt::argmin(xt::abs(temps_available - T))[0];
+      // Determine the closest temperature value
+      // NOTE: the below block could be replaced with the following line,
+      // though this gives a runtime error if using LLVM 20 or newer,
+      // likely due to a bug in xtensor.
+      // auto i_closest = xt::argmin(xt::abs(temps_available - T))[0];
+      double closest = std::numeric_limits<double>::max();
+      int i_closest = 0;
+      for (int i = 0; i < temps_available.size(); i++) {
+        double diff = std::abs(temps_available[i] - T);
+        if (diff < closest) {
+          closest = diff;
+          i_closest = i;
+        }
+      }
+
       double temp_actual = temps_available[i_closest];
       if (std::fabs(temp_actual - T) < settings::temperature_tolerance) {
         if (std::find(temps_to_read.begin(), temps_to_read.end(),

From bd95b52f4d711fd3e62ec80fed9a4f1d1778198f Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Fri, 11 Apr 2025 23:35:30 +0200
Subject: [PATCH 2287/2654] Add check for equal value bins in an EnergyFilter
 (#3372)

---
 openmc/filter.py                 |  4 ++--
 tests/unit_tests/test_filters.py | 18 ++++++++++++++++++
 2 files changed, 20 insertions(+), 2 deletions(-)

diff --git a/openmc/filter.py b/openmc/filter.py
index 35a7e7c7e..755777c5e 100644
--- a/openmc/filter.py
+++ b/openmc/filter.py
@@ -1238,7 +1238,7 @@ class RealFilter(Filter):
             cv.check_type('filter value', v1, Real)
 
             # Make sure that each tuple has values that are increasing
-            if v1 < v0:
+            if v1 <= v0:
                 raise ValueError(f'Values {v0} and {v1} appear to be out of '
                                  'order')
 
@@ -1384,7 +1384,7 @@ class EnergyFilter(RealFilter):
     ----------
     values : Iterable of Real
         A list of values for which each successive pair constitutes a range of
-        energies in [eV] for a single bin
+        energies in [eV] for a single bin. Entries must be positive and ascending.
     filter_id : int
         Unique identifier for the filter
 
diff --git a/tests/unit_tests/test_filters.py b/tests/unit_tests/test_filters.py
index 55bb62075..c3b737192 100644
--- a/tests/unit_tests/test_filters.py
+++ b/tests/unit_tests/test_filters.py
@@ -294,3 +294,21 @@ def test_tabular_from_energyfilter():
 
     tab = efilter.get_tabular(values=np.array([10, 10, 5]), interpolation='linear-linear')
     assert tab.interpolation == 'linear-linear'
+
+
+def test_energy_filter():
+
+    # testing that bins descending value raises error
+    msg = "Values 1.0 and 0.5 appear to be out of order"
+    with raises(ValueError, match=msg):
+        openmc.EnergyFilter([0.0, 1.0, 0.5])
+
+    # testing that bins with same value raises error
+    msg = "Values 0.25 and 0.25 appear to be out of order"
+    with raises(ValueError, match=msg):
+        openmc.EnergyFilter([0.0, 0.25, 0.25])
+
+    # testing that negative bins values raises error
+    msg = 'Unable to set "filter value" to "-1.2" since it is less than "0.0"'
+    with raises(ValueError, match=msg):
+        openmc.EnergyFilter([-1.2, 0.25, 0.5])

From c1a4d43da81ea0e04f063ae450d44133e3d72b9c Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 11 Apr 2025 18:43:27 -0500
Subject: [PATCH 2288/2654] Add methods on Material class for waste disposal
 rating / classification (#3366)

Co-authored-by: Ethan Peterson <eepeterson3@gmail.com>
---
 openmc/material.py                            | 100 ++++++-
 openmc/waste.py                               | 279 ++++++++++++++++++
 tests/unit_tests/test_material.py             |   6 +
 tests/unit_tests/test_waste_classification.py |  98 ++++++
 4 files changed, 475 insertions(+), 8 deletions(-)
 create mode 100644 openmc/waste.py
 create mode 100644 tests/unit_tests/test_waste_classification.py

diff --git a/openmc/material.py b/openmc/material.py
index f40ac805f..9677fbba3 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -18,6 +18,7 @@ import openmc.checkvalue as cv
 from ._xml import clean_indentation, reorder_attributes
 from .mixin import IDManagerMixin
 from .utility_funcs import input_path
+from . import waste
 from openmc.checkvalue import PathLike
 from openmc.stats import Univariate, Discrete, Mixture
 from openmc.data.data import _get_element_symbol
@@ -30,6 +31,7 @@ DENSITY_UNITS = ('g/cm3', 'g/cc', 'kg/m3', 'atom/b-cm', 'atom/cm3', 'sum',
 # Smallest normalized floating point number
 _SMALLEST_NORMAL = sys.float_info.min
 
+_BECQUEREL_PER_CURIE = 3.7e10
 
 NuclideTuple = namedtuple('NuclideTuple', ['name', 'percent', 'percent_type'])
 
@@ -1058,7 +1060,6 @@ class Material(IDManagerMixin):
             nuc_densities.append(nuc.percent)
             nuc_density_types.append(nuc.percent_type)
 
-        nucs = np.array(nucs)
         nuc_densities = np.array(nuc_densities)
         nuc_density_types = np.array(nuc_density_types)
 
@@ -1137,17 +1138,16 @@ class Material(IDManagerMixin):
 
     def get_activity(self, units: str = 'Bq/cm3', by_nuclide: bool = False,
                      volume: float | None = None) -> dict[str, float] | float:
-        """Returns the activity of the material or for each nuclide in the
-        material in units of [Bq], [Bq/g], [Bq/kg] or [Bq/cm3].
+        """Returns the activity of the material or of each nuclide within.
 
         .. versionadded:: 0.13.1
 
         Parameters
         ----------
-        units : {'Bq', 'Bq/g', 'Bq/kg', 'Bq/cm3'}
+        units : {'Bq', 'Bq/g', 'Bq/kg', 'Bq/cm3', 'Ci', 'Ci/m3'}
             Specifies the type of activity to return, options include total
-            activity [Bq], specific [Bq/g, Bq/kg] or volumetric activity
-            [Bq/cm3]. Default is volumetric activity [Bq/cm3].
+            activity [Bq,Ci], specific [Bq/g, Bq/kg] or volumetric activity
+            [Bq/cm3,Ci/m3]. Default is volumetric activity [Bq/cm3].
         by_nuclide : bool
             Specifies if the activity should be returned for the material as a
             whole or per nuclide. Default is False.
@@ -1165,17 +1165,24 @@ class Material(IDManagerMixin):
             of the material is returned as a float.
         """
 
-        cv.check_value('units', units, {'Bq', 'Bq/g', 'Bq/kg', 'Bq/cm3'})
+        cv.check_value('units', units, {'Bq', 'Bq/g', 'Bq/kg', 'Bq/cm3', 'Ci', 'Ci/m3'})
         cv.check_type('by_nuclide', by_nuclide, bool)
 
+        if volume is None:
+            volume = self.volume
+
         if units == 'Bq':
-            multiplier = volume if volume is not None else self.volume
+            multiplier = volume
         elif units == 'Bq/cm3':
             multiplier = 1
         elif units == 'Bq/g':
             multiplier = 1.0 / self.get_mass_density()
         elif units == 'Bq/kg':
             multiplier = 1000.0 / self.get_mass_density()
+        elif units == 'Ci':
+            multiplier = volume / _BECQUEREL_PER_CURIE
+        elif units == 'Ci/m3':
+            multiplier = 1e6 / _BECQUEREL_PER_CURIE
 
         activity = {}
         for nuclide, atoms_per_bcm in self.get_nuclide_atom_densities().items():
@@ -1316,6 +1323,83 @@ class Material(IDManagerMixin):
             raise ValueError("Volume must be set in order to determine mass.")
         return volume*self.get_mass_density(nuclide)
 
+    def waste_classification(self, metal: bool = False) -> str:
+        """Classify the material for near-surface waste disposal.
+
+        This method determines a waste classification for the material based on
+        the NRC regulations (10 CFR 61.55). Note that the NRC regulations do not
+        consider many long-lived radionuclides relevant to fusion systems; for
+        fusion applications, it is recommended to calculate a waste disposal
+        rating based on limits by Fetter et al. using the
+        :meth:`~openmc.Material.waste_disposal_rating` method.
+
+        Parameters
+        ----------
+        metal : bool, optional
+            Whether or not the material is in metal form.
+
+        Returns
+        -------
+        str
+            The waste disposal classification, which can be "Class A", "Class
+            B", "Class C", or "GTCC" (greater than class C).
+
+        """
+        return waste._waste_classification(self, metal=metal)
+
+    def waste_disposal_rating(
+            self,
+            limits: str | dict[str, float] = 'Fetter',
+            metal: bool = False,
+        ) -> float:
+        """Return the waste disposal rating for the material.
+
+        This method returns a waste disposal rating for the material based on a
+        set of specific activity limits. The waste disposal rating is a single
+        number that represents the sum of the ratios of the specific activity
+        for each radionuclide in the material against a nuclide-specific limit.
+        A value less than 1.0 indicates that the material "meets" the limits
+        whereas a value greater than 1.0 exceeds the limits.
+
+        Note that the limits for NRC do not consider many long-lived
+        radionuclides relevant to fusion systems. A paper by `Fetter et al.
+        <https://doi.org/10.1016/0920-3796(90)90104-E>`_ applies the NRC
+        methodology to calculate specific activity limits for an expanded set of
+        radionuclides.
+
+        Parameters
+        ----------
+        limits : str or dict, optional
+            The name of a predefined set of specific activity limits or a
+            dictionary that contains specific activity limits for radionuclides,
+            where keys are nuclide names and values are activities in units of
+            [Ci/m3]. The predefined options are:
+
+            - 'Fetter': Uses limits from Fetter et al. (1990)
+            - 'NRC_long': Uses the 10 CFR 61.55 limits for long-lived
+              radionuclides
+            - 'NRC_short_A': Uses the 10 CFR 61.55 class A limits for
+              short-lived radionuclides
+            - 'NRC_short_B': Uses the 10 CFR 61.55 class B limits for
+              short-lived radionuclides
+            - 'NRC_short_C': Uses the 10 CFR 61.55 class C limits for
+              short-lived radionuclides
+        metal : bool, optional
+            Whether or not the material is in metal form (only applicable for
+            NRC based limits)
+
+        Returns
+        -------
+        float
+            The waste disposal rating for the material.
+
+        See also
+        --------
+        Material.waste_classification()
+
+        """
+        return waste._waste_disposal_rating(self, limits, metal)
+
     def clone(self, memo: dict | None = None) -> Material:
         """Create a copy of this material with a new unique ID.
 
diff --git a/openmc/waste.py b/openmc/waste.py
new file mode 100644
index 000000000..7dd45b8e3
--- /dev/null
+++ b/openmc/waste.py
@@ -0,0 +1,279 @@
+from __future__ import annotations
+
+import openmc
+from openmc.data import half_life
+
+
+def _waste_classification(mat: openmc.Material, metal: bool = True) -> str:
+    """Classify a material for near-surface waste disposal.
+
+    This method determines a waste classification for a material based on the
+    NRC regulations (10 CFR 61.55).
+
+    Parameters
+    ----------
+    mat : openmc.Material
+        The material to classify.
+    metal : bool, optional
+        Whether or not the material is in metal form. This changes the
+        acceptable limits in Tables 1 and 2 for certain nuclides.
+
+    Returns
+    -------
+    str
+        The waste disposal classification, which can be "Class A", "Class B",
+        "Class C", or "GTCC" (greater than class C).
+
+    """
+    # Determine metrics based on Tables 1 and 2 using sum of fractions rule for
+    # mixture of radionuclides from §61.55(a)(7)
+    ratio1 = _waste_disposal_rating(mat, 'NRC_long', metal=metal)
+    ratio2 = [
+        _waste_disposal_rating(mat, 'NRC_short_A', metal=metal),
+        _waste_disposal_rating(mat, 'NRC_short_B', metal=metal),
+        _waste_disposal_rating(mat, 'NRC_short_C', metal=metal),
+    ]
+
+    # Determine which nuclides are present in Table 1 and Table 2
+    table1_nuclides_present = (ratio1 > 0.0)
+    table2_nuclides_present = any(x > 0.0 for x in ratio2)
+
+    # Helper function for classifying based on Table 2
+    def classify_table2(col1, col2, col3):
+        if col1 < 1.0:
+            return "Class A"
+        elif col2 < 1.0:
+            return "Class B"
+        elif col3 < 1.0:
+            return "Class C"
+        else:
+            return "GTCC"
+
+    if table1_nuclides_present and table2_nuclides_present:
+        # Classification based on §61.55(a)(5)
+        if ratio1 < 0.1:
+            return classify_table2(*ratio2)
+        elif ratio1 < 1.0:
+            return "Class C" if ratio2[2] < 1.0 else "GTCC"
+        else:
+            return "GTCC"
+
+    elif table1_nuclides_present:
+        # Classification based on §61.55(a)(3)
+        if ratio1 < 0.1:
+            return "Class A"
+        elif ratio1 < 1.0:
+            return "Class C"
+        else:
+            return "GTCC"
+
+    elif table2_nuclides_present:
+        # Classification based on §61.55(a)(4)
+        return classify_table2(*ratio2)
+
+    else:
+        # Classification based on §61.55(a)(6)
+        return "Class A"
+
+
+def _waste_disposal_rating(
+        mat: openmc.Material,
+        limits: str | dict[str, float] = 'Fetter',
+        metal: bool = False,
+    ) -> float:
+    """Return the waste disposal rating for a material.
+
+    This method returns a waste disposal rating for the material based on a set
+    of specific activity limits. The waste disposal rating is a single number
+    that represents the sum of the ratios of the specific activity for each
+    radionuclide in the material against a nuclide-specific limit. A value less
+    than 1.0 indicates that the material "meets" the limits whereas a value
+    greater than 1.0 exceeds the limits.
+
+    Parameters
+    ----------
+    mat : openmc.Material
+        The material to classify.
+    limits : str or dict, optional
+        The name of a predefined set of specific activity limits or a dictionary
+        that contains specific activity limits for radionuclides, where keys are
+        nuclide names and values are activities in units of [Ci/m3]. The
+        predefined options are:
+
+        - 'Fetter': Uses limits from Fetter et al. (1990)
+        - 'NRC_long': Uses the 10 CFR 61.55 limits for long-lived radionuclides
+        - 'NRC_short_A': Uses the 10 CFR 61.55 class A limits for short-lived
+          radionuclides
+        - 'NRC_short_B': Uses the 10 CFR 61.55 class B limits for short-lived
+          radionuclides
+        - 'NRC_short_C': Uses the 10 CFR 61.55 class C limits for short-lived
+          radionuclides
+    metal : bool, optional
+        Whether or not the material is in metal form (only applicable for NRC
+        based limits)
+
+    Returns
+    -------
+    float
+        The waste disposal rating for the material.
+
+    """
+    if limits == 'Fetter':
+        # Specific activity limits for radionuclides with half-lives between 5
+        # years and 1e12 years from Table 2 in Fetter
+        limits = {
+            "Be10": 5.0e3,
+            "C14": 6.0e2,
+            "Al26": 9.0e-2,
+            "Si32": 6.0e2,
+            "Cl36": 1.0e1,
+            "Ar39": 2.0e4,
+            "Ar42": 2.0e4,
+            "K40": 2.0e0,
+            "Ca41": 1.0e4,
+            "Ti44": 2.0e2,
+            "Fe60": 1.0e-1,
+            "Co60": 3.0e8,
+            "Ni59": 9.0e2,
+            "Ni63": 7.0e5,
+            "Se79": 5.0e1,
+            "Kr81": 3.0e1,
+            "Sr90": 8.0e5,
+            "Nb91": 2.0e2,
+            "Nb92": 2.0e-1,
+            "Nb94": 2.0e-1,
+            "Mo93": 4.0e3,
+            "Tc97": 4.0e-1,
+            "Tc98": 1.0e-2,
+            "Tc99": 6.0e-2,
+            "Pd107": 9.0e2,
+            "Ag108_m1": 3.0e0,
+            "Sn121_m1": 7.0e5,
+            "Sn126": 1.0e-1,
+            "I129": 2.0e0,
+            "Cs137": 5.0e4,
+            "Ba133": 2.0e8,
+            "La137": 2.0e2,
+            "Sm151": 5.0e7,
+            "Eu150_m1": 3.0e3,
+            "Eu152": 3.0e5,
+            "Eu154": 5.0e6,
+            "Gd148": 2.0e5,
+            "Gd150": 2.0e3,
+            "Tb157": 5.0e3,
+            "Tb158": 4.0e0,
+            "Dy154": 1.0e3,
+            "Ho166_m1": 2.0e-1,
+            "Hf178_m1": 9.0e3,
+            "Hf182": 2.0e-1,
+            "Re186_m1": 2.0e1,
+            "Ir192_m1": 1.0e0,
+            "Pt193": 2.0e8,
+            "Hg194": 5.0e-1,
+            "Pb202": 6.0e-1,
+            "Pb210": 3.0e7,
+            "Bi207": 9.0e3,
+            "Bi208": 8.0e-2,
+            "Bi210_m1": 1.0e0,
+            "Po209": 3.0e3,
+            "Ra226": 1.0e-1,
+            "Ra228": 3.0e7,
+            "Ac227": 5.0e5,
+            "Th229": 2.0e0,
+            "Th230": 3.0e-1,
+            "Th232": 1.0e-1,
+            "Pa231": 7.0e-1,
+            "U232": 3.0e1,
+            "U233": 2.0e1,
+            "U234": 9.0e1,
+            "U235": 2.0e0,
+            "Np236": 1.0e0,
+            "Np237": 1.0e0,
+            "Pu238": 7.0e4,
+            "Pu239": 1.0e3,
+            "Pu240": 1.0e3,
+            "Pu241": 2.0e3,
+            "Pu242": 1.0e3,
+            "Pu244": 9.0e-1,
+            "Am241": 5.0e1,
+            "Am242_m1": 3.0e2,
+            "Am243": 2.0e0,
+            "Cm243": 6.0e2,
+            "Cm244": 5.0e5,
+            "Cm245": 5.0e0,
+            "Cm246": 8.0e2,
+            "Cm248": 8.0e2,
+        }
+
+    elif limits == 'NRC_long':
+        # Specific activity limits for long-lived radionuclides from Table 1 in
+        # 10 CFR 61.55 in Ci/m3.
+        limits = {
+            'C14': 8.0,
+            'Tc99': 3.0,
+            'I129': 0.08,
+        }
+        if metal:
+            limits['C14'] = 80.0
+            limits['Ni59'] = 220.0
+            limits['Nb94'] = 0.2
+
+        # Convert values in nCi/g to Ci/m3
+        factor = (1e6 * mat.get_mass_density()) / 1e9
+        limits.update({
+            'Pu241': 3500.0 * factor,
+            'Cm242': 20000.0 * factor,
+            'Np237': 100.0 * factor,
+            'Pu238': 100.0 * factor,
+            'Pu239': 100.0 * factor,
+            'Pu240': 100.0 * factor,
+            'Pu242': 100.0 * factor,
+            'Pu244': 100.0 * factor,
+            'Am241': 100.0 * factor,
+            'Am243': 100.0 * factor,
+            'Cm243': 100.0 * factor,
+            'Cm244': 100.0 * factor,
+            'Cm245': 100.0 * factor,
+            'Cm246': 100.0 * factor,
+            'Cm247': 100.0 * factor,
+            'Cm248': 100.0 * factor,
+            'Bk247': 100.0 * factor,
+            'Cf249': 100.0 * factor,
+            'Cf250': 100.0 * factor,
+            'Cf251': 100.0 * factor,
+        })
+
+    elif limits == 'NRC_short_A':
+        # Get Class A specific activity limits for short-lived radionuclides
+        # from Table 2 in 10 CFR 61.55
+        limits = {
+            'H3': 40.0,
+            'Co60': 700.0,
+            'Ni63': 35.0 if metal else 3.5,
+            'Sr90': 0.04,
+            'Cs137': 1.0
+        }
+
+        # Add radionuclides with half-lives < 5 years to limits for class A
+        five_years = 60.0 * 60.0 * 24.0 * 365.25 * 5.0
+        for nuc in mat.get_nuclides():
+            if half_life(nuc) is not None and half_life(nuc) < five_years:
+                limits[nuc] = 700.0
+
+    elif limits == 'NRC_short_B':
+        # Get Class B specific activity limits for short-lived radionuclides
+        # from Table 2 in 10 CFR 61.55
+        limits = {'Ni63': 700.0 if metal else 70.0, 'Sr90': 150.0, 'Cs137': 44.0}
+
+    elif limits == 'NRC_short_C':
+        # Get Class C specific activity limits for short-lived radionuclides
+        # from Table 2 in 10 CFR 61.55
+        limits = {'Ni63': 7000.0 if metal else 700.0, 'Sr90': 7000.0, 'Cs137': 4600.0}
+
+    # Calculate the sum of the fractions of the activity of each radionuclide
+    # compared to the specified limits
+    ratio = 0.0
+    for nuc, ci_m3 in mat.get_activity(units="Ci/m3", by_nuclide=True).items():
+        if nuc in limits:
+            ratio += ci_m3 / limits[nuc]
+    return ratio
diff --git a/tests/unit_tests/test_material.py b/tests/unit_tests/test_material.py
index cb71cd09b..8ad579563 100644
--- a/tests/unit_tests/test_material.py
+++ b/tests/unit_tests/test_material.py
@@ -590,6 +590,12 @@ def test_get_activity():
     # Test with volume specified as argument
     assert pytest.approx(m4.get_activity(units='Bq', volume=1.0)) == 355978108155965.94*3/2
 
+    # Test units based on Ci
+    bq = m4.get_activity(units='Bq')
+    m3 = m4.volume * 1e-6
+    assert (ci := m4.get_activity(units='Ci')) == pytest.approx(bq/3.7e10)
+    assert m4.get_activity(units='Ci/m3') == pytest.approx(ci/m3)
+
 
 def test_get_decay_heat():
     # Set chain file for testing
diff --git a/tests/unit_tests/test_waste_classification.py b/tests/unit_tests/test_waste_classification.py
new file mode 100644
index 000000000..dd692cc4b
--- /dev/null
+++ b/tests/unit_tests/test_waste_classification.py
@@ -0,0 +1,98 @@
+import random
+
+import openmc
+import pytest
+
+
+@pytest.mark.parametrize("metal", [False, True])
+def test_waste_classification_long(metal):
+    """Test classification when determined by long-lived radionuclides"""
+    f = 10.0 if metal else 1.0
+    limit = 8.0*f
+    mat = openmc.Material()
+    mat.add_nuclide('C14', 1e-9*f)
+    assert mat.get_activity('Ci/m3') < 0.1 * limit
+    assert mat.waste_classification(metal=metal) == 'Class A'
+
+    mat = openmc.Material()
+    mat.add_nuclide('C14', 1e-8*f)
+    assert 0.1 * limit < mat.get_activity('Ci/m3') < limit
+    assert mat.waste_classification(metal=metal) == 'Class C'
+
+    mat = openmc.Material()
+    mat.add_nuclide('C14', 1e-7*f)
+    assert mat.get_activity('Ci/m3') > limit
+    assert mat.waste_classification(metal=metal) == 'GTCC'
+
+
+@pytest.mark.parametrize("metal", [False, True])
+def test_waste_classification_short(metal):
+    """Test classification when determined by short-lived radionuclides"""
+    f = 10.0 if metal else 1.0
+    col1, col2, col3 = 3.5*f, 70.0*f, 700.0*f
+
+    mat = openmc.Material()
+    mat.add_nuclide('Ni63', 1e-10*f)
+    assert mat.get_activity('Ci/m3') < col1
+    assert mat.waste_classification(metal=metal) == 'Class A'
+
+    mat = openmc.Material()
+    mat.add_nuclide('Ni63', 1e-10*10*f)
+    assert col1 < mat.get_activity('Ci/m3') < col2
+    assert mat.waste_classification(metal=metal) == 'Class B'
+
+    mat = openmc.Material()
+    mat.add_nuclide('Ni63', 1e-10*200*f)
+    assert col2 < mat.get_activity('Ci/m3') < col3
+    assert mat.waste_classification(metal=metal) == 'Class C'
+
+    mat = openmc.Material()
+    mat.add_nuclide('Ni63', 1e-10*2000*f)
+    assert mat.get_activity('Ci/m3') > col3
+    assert mat.waste_classification(metal=metal) == 'GTCC'
+
+
+def test_waste_classification_mix():
+    """Test classification when determined by a mix of radionuclides"""
+    # Check example from 10 CFR 61.55 with mix of Sr90 and Cs137
+    mat = openmc.Material()
+    mat.add_nuclide('Sr90', 2.425e-9)
+    mat.add_nuclide('Cs137', 1.115e-9)
+
+    # In example, activity of Sr90 is 50.0 Ci/m3 and Cs137 is 22.0 Ci/m3
+    activity = mat.get_activity(units='Ci/m3', by_nuclide=True)
+    assert activity['Sr90'] == pytest.approx(50.0, 0.01)
+    assert activity['Cs137'] == pytest.approx(22.0, 0.01)
+
+    # According to example, the waste should be class B
+    assert mat.waste_classification() == 'Class B'
+
+
+def test_waste_rating_fetter():
+    """Test waste classification using the Fetter limits"""
+    # For Tc99, Fetter has a more strict limit. Here, we create a material with
+    # Tc99 at 1 Ci/m3 which exceeds Fetter but not NRC
+    density = 3.5561e-7
+    mat = openmc.Material()
+    mat.add_nuclide('Tc99', density)
+    assert mat.get_activity('Ci/m3') == pytest.approx(1.0, 1e-3)
+    assert mat.waste_disposal_rating(limits='NRC_short_C') < 1.0
+    assert mat.waste_disposal_rating(limits='Fetter') > 1.0
+
+    # With a lower density, it should be Class C under Fetter limits and Class A
+    # under NRC limits
+    mat = openmc.Material()
+    mat.add_nuclide('Tc99', 5.0e-2*density)
+    assert mat.waste_disposal_rating(limits='NRC_short_A') < 1.0
+    assert mat.waste_disposal_rating(limits='Fetter') < 1.0
+
+
+def test_waste_disposal_rating():
+    """Test waste_disposal_rating method"""
+    mat = openmc.Material()
+    mat.add_nuclide('K40', random.random())
+
+    # Check for correct classification based on actual activity
+    ci_m3 = mat.get_activity('Ci/m3')
+    assert mat.waste_disposal_rating(limits={'K40': 2*ci_m3}) < 1.0
+    assert mat.waste_disposal_rating(limits={'K40': 0.5*ci_m3}) > 1.0

From 47ca2916aa85a2909a5f6e0a3442ab7c581894b1 Mon Sep 17 00:00:00 2001
From: Joffrey Dorville <54550047+JoffreyDorville@users.noreply.github.com>
Date: Mon, 14 Apr 2025 09:07:48 -0500
Subject: [PATCH 2289/2654] Kinetics parameters using Iterated Fission
 Probability (#3133)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 CMakeLists.txt                              |   1 +
 docs/source/usersguide/index.rst            |   1 +
 docs/source/usersguide/kinetics.rst         | 110 ++++++++++
 docs/source/usersguide/tallies.rst          |  18 ++
 include/openmc/bank.h                       |   8 +
 include/openmc/constants.h                  |   8 +-
 include/openmc/ifp.h                        | 188 +++++++++++++++++
 include/openmc/particle_data.h              |   7 +
 include/openmc/settings.h                   |  15 +-
 openmc/lib/tally.py                         |   4 +-
 openmc/settings.py                          |  29 +++
 src/bank.cpp                                |  28 +++
 src/eigenvalue.cpp                          |  82 +++++++-
 src/finalize.cpp                            |   3 +-
 src/ifp.cpp                                 | 216 ++++++++++++++++++++
 src/output.cpp                              |   3 +
 src/particle.cpp                            |   6 +-
 src/physics.cpp                             |   5 +
 src/reaction.cpp                            |   3 +
 src/settings.cpp                            |  17 ++
 src/simulation.cpp                          |   6 +
 src/tallies/tally.cpp                       |  63 ++++++
 src/tallies/tally_scoring.cpp               |  51 +++++
 tests/regression_tests/ifp/__init__.py      |   0
 tests/regression_tests/ifp/inputs_true.dat  |  33 +++
 tests/regression_tests/ifp/results_true.dat |   9 +
 tests/regression_tests/ifp/test.py          |  45 ++++
 tests/unit_tests/test_ifp.py                |  49 +++++
 28 files changed, 1002 insertions(+), 6 deletions(-)
 create mode 100644 docs/source/usersguide/kinetics.rst
 create mode 100644 include/openmc/ifp.h
 create mode 100644 src/ifp.cpp
 create mode 100644 tests/regression_tests/ifp/__init__.py
 create mode 100644 tests/regression_tests/ifp/inputs_true.dat
 create mode 100644 tests/regression_tests/ifp/results_true.dat
 create mode 100644 tests/regression_tests/ifp/test.py
 create mode 100644 tests/unit_tests/test_ifp.py

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 461abe508..8cb03a1a1 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -343,6 +343,7 @@ list(APPEND libopenmc_SOURCES
   src/geometry.cpp
   src/geometry_aux.cpp
   src/hdf5_interface.cpp
+  src/ifp.cpp
   src/initialize.cpp
   src/lattice.cpp
   src/material.cpp
diff --git a/docs/source/usersguide/index.rst b/docs/source/usersguide/index.rst
index aef9b1a1c..5f8e0197e 100644
--- a/docs/source/usersguide/index.rst
+++ b/docs/source/usersguide/index.rst
@@ -22,6 +22,7 @@ essential aspects of using OpenMC to perform simulations.
     plots
     depletion
     decay_sources
+    kinetics
     scripts
     processing
     parallel
diff --git a/docs/source/usersguide/kinetics.rst b/docs/source/usersguide/kinetics.rst
new file mode 100644
index 000000000..bdf26d341
--- /dev/null
+++ b/docs/source/usersguide/kinetics.rst
@@ -0,0 +1,110 @@
+.. _kinetics:
+
+===================
+Kinetics parameters
+===================
+
+OpenMC has the capability to estimate the following adjoint-weighted effective
+generation time :math:`\Lambda_{\text{eff}}` and the effective delayed neutron
+fraction :math:`\beta_{\text{eff}}`. These parameters are calculated using the
+iterated fission probability (IFP) method [Hurwitz_1964]_ based on a similar
+approach as in `Serpent 2 <https://doi.org/10.1016/j.anucene.2013.10.032>`_. The
+implementation in OpenMC is limited to eigenvalue calculations and is described
+in more details in [Dorville_2025]_.
+
+----------------------------------
+Iterated Fission Probability (IFP)
+----------------------------------
+
+With IFP, additional information needs to be recorded during the simulation
+compared to a typical eigenvalue calculation. OpenMC stores an additional
+set of values (neutron lifetime or delayed neutron group number for
+:math:`\Lambda_{\text{eff}}` or :math:`\beta_{\text{eff}}`, respectively)
+for every fission neutron simulated. Each set of values corresponds to
+the values that are associated to the :math:`N_{\text{gen}}` direct ancestors
+of any given fission neutron.
+
+:math:`N_{\text{gen}}` is referred to as the number of generations in the
+IFP method and corresponds to the number of generations between the birth of
+a fission neutron and the time its score is added to the IFP tally. By default,
+OpenMC considers 10 generations but this value can be modified by the user via
+the ``ifp_n_generation`` settings in the Python API::
+
+    settings.ifp_n_generation = 5
+
+``ifp_n_generation`` should be greater than 0, but should also be lower than
+or equal to the number of inactive batches declared for the calculation.
+The respect of these constraints is verified by OpenMC before any calculation.
+
+OpenMC will automatically detect the type of data that needs to be stored based
+on the tally scores selected by the user. This guarantees that only information
+of interest are stored during a simulation and avoids using extra memory when
+only one parameter is needed. The following table shows the tally scores that
+are needed to compute kinetics parameters in OpenMC:
+
+.. table:: **OpenMC tally scores needed to calculate adjoint-weighted kinetics parameters**
+    :align: center
+
+    =============================== ============================ ========================== ========
+    OpenMC tally score \\ Parameter :math:`\Lambda_{\text{eff}}` :math:`\beta_{\text{eff}}` Both
+    =============================== ============================ ========================== ========
+    ``ifp-time-numerator``          X                                                       X
+    ``ifp-beta-numerator``                                       X                          X
+    ``ifp-denominator``             X                            X                          X
+    =============================== ============================ ========================== ========
+
+|
+
+.. note:: Because the memory footprint of additional data is generally non-negligible
+    with IFP, it is recommended to choose the value for ``ifp_n_generation`` carefully.
+    For example, using one generation for both kinetics parameters corresponds to store
+    one additional integer (for the delayed neutron group number used with
+    :math:`\beta_{\text{eff}}`) and one floating point value (for the neutron lifetime
+    used with :math:`\Lambda_{\text{eff}}`) for every fission neutron simulated once the
+    asymptotic regime is reached.
+
+-----------------------------
+Obtaining kinetics parameters
+-----------------------------
+
+Here is an example showing how to declare the three available IFP scores in a
+single tally::
+
+    tally = openmc.Tally(name="ifp-scores")
+    tally.scores = [
+        "ifp-time-numerator",
+        "ifp-beta-numerator",
+        "ifp-denominator"
+    ]
+
+The effective generation time :math:`\Lambda_{\text{eff}}` is calculated
+by dividing the result of the ``ifp-time-numerator`` score by the one obtained
+for ``ifp-denominator`` and by the :math:`k_{\text{eff}}` of the simulation:
+
+.. math::
+    :label: lambda_eff
+
+    \Lambda_{\text{eff}} = \frac{S_{\text{ifp-time-numerator}}}{S_{\text{ifp-denominator}} \times k_{\text{eff}}}
+
+The effective delayed neutron fraction :math:`\beta_{\text{eff}}` is calculated
+by dividing the result of the ``ifp-beta-numerator`` score by the one obtained
+for ``ifp-denominator``:
+
+.. math::
+    :label: beta_eff
+
+    \beta_{\text{eff}} = \frac{S_{\text{ifp-beta-numerator}}}{S_{\text{ifp-denominator}}}
+
+.. only:: html
+
+   .. rubric:: References
+
+.. [Hurwitz_1964] H. Hurwitz Jr., "Naval Reactors Physics Handbook", volume 1, p. 864.
+    Radkowsky, A. (Ed.), Naval Reactors, Division of Reactor Development, U.S.
+    Atomic Energy Commission (1964).
+
+.. [Dorville_2025] J. Dorville, L. Labrie-Cleary, and P. K. Romano, "Implementation
+    of the Iterated Fission Probability Method in OpenMC to Compute Adjoint-Weighted
+    Kinetics Parameters", International Conference on Mathematics and Computational
+    Methods Applied to Nuclear Science and Engineering (M&C 2025), Denver, April 27-30,
+    2025 (to be presented).
diff --git a/docs/source/usersguide/tallies.rst b/docs/source/usersguide/tallies.rst
index 02328af58..e3b4e508b 100644
--- a/docs/source/usersguide/tallies.rst
+++ b/docs/source/usersguide/tallies.rst
@@ -322,6 +322,24 @@ The following tables show all valid scores:
     |                      |particle. Note that this score can only be combined|
     |                      |with a cell filter and an energy filter.           |
     +----------------------+---------------------------------------------------+
+    |ifp-time-numerator    |Adjoint-weighted lifetime of neutron produced by   |
+    |                      |fission in units of seconds per source particle.   |
+    |                      |This score is used to compute kinetics parameters  |
+    |                      |using the iterated fission probability (IFP)       |
+    |                      |method.                                            |
+    +----------------------+---------------------------------------------------+
+    |ifp-beta-numerator    |Adjoint-weighted number of delayed fission events  |
+    |                      |in units of number of delayed fission event per    |
+    |                      |source particle. This score is used to compute     |
+    |                      |kinetics parameters using the iterated fission     |
+    |                      |probability (IFP) method.                          |
+    +----------------------+---------------------------------------------------+
+    |ifp-denominator       |Weights corresponding to the number of fission     |
+    |                      |events in units of number of fission event per     |
+    |                      |source particle. This score is used to compute     |
+    |                      |kinetics parameters using the iterated fission     |
+    |                      |probability (IFP) method.                          |
+    +----------------------+---------------------------------------------------+
 
 .. _usersguide_tally_normalization:
 
diff --git a/include/openmc/bank.h b/include/openmc/bank.h
index 95386514d..fd8fbd73e 100644
--- a/include/openmc/bank.h
+++ b/include/openmc/bank.h
@@ -22,6 +22,14 @@ extern SharedArray<SourceSite> surf_source_bank;
 
 extern SharedArray<SourceSite> fission_bank;
 
+extern vector<vector<int>> ifp_source_delayed_group_bank;
+
+extern vector<vector<double>> ifp_source_lifetime_bank;
+
+extern vector<vector<int>> ifp_fission_delayed_group_bank;
+
+extern vector<vector<double>> ifp_fission_lifetime_bank;
+
 extern vector<int64_t> progeny_per_particle;
 
 } // namespace simulation
diff --git a/include/openmc/constants.h b/include/openmc/constants.h
index 2a7ce1990..252194528 100644
--- a/include/openmc/constants.h
+++ b/include/openmc/constants.h
@@ -312,7 +312,10 @@ enum TallyScore {
   SCORE_FISS_Q_PROMPT = -14,      // prompt fission Q-value
   SCORE_FISS_Q_RECOV = -15,       // recoverable fission Q-value
   SCORE_DECAY_RATE = -16,         // delayed neutron precursor decay rate
-  SCORE_PULSE_HEIGHT = -17        // pulse-height
+  SCORE_PULSE_HEIGHT = -17,       // pulse-height
+  SCORE_IFP_TIME_NUM = -18,       // IFP lifetime numerator
+  SCORE_IFP_BETA_NUM = -19,       // IFP delayed fraction numerator
+  SCORE_IFP_DENOM = -20           // IFP common denominator
 };
 
 // Global tally parameters
@@ -322,6 +325,9 @@ enum class GlobalTally { K_COLLISION, K_ABSORPTION, K_TRACKLENGTH, LEAKAGE };
 // Miscellaneous
 constexpr int C_NONE {-1};
 
+// Default value of generation for IFP
+constexpr int DEFAULT_IFP_N_GENERATION {10};
+
 // Interpolation rules
 enum class Interpolation {
   histogram = 1,
diff --git a/include/openmc/ifp.h b/include/openmc/ifp.h
new file mode 100644
index 000000000..633a262d5
--- /dev/null
+++ b/include/openmc/ifp.h
@@ -0,0 +1,188 @@
+#ifndef OPENMC_IFP_H
+#define OPENMC_IFP_H
+
+#include "openmc/message_passing.h"
+#include "openmc/particle.h"
+#include "openmc/particle_data.h"
+#include "openmc/settings.h"
+
+namespace openmc {
+
+//! Check the value of the IFP parameter for beta effective or both.
+//!
+//! \return true if "BetaEffective" or "Both", false otherwise.
+bool is_beta_effective_or_both();
+
+//! Check the value of the IFP parameter for generation time or both.
+//!
+//! \return true if "GenerationTime" or "Both", false otherwise.
+bool is_generation_time_or_both();
+
+//! Resize IFP vectors
+//!
+//! \param[in,out] delayed_groups List of delayed group numbers
+//! \param[in,out] lifetimes List of lifetimes
+//! \param[in] n  Dimension to resize vectors
+template<typename T, typename U>
+void resize_ifp_data(vector<T>& delayed_groups, vector<U>& lifetimes, int64_t n)
+{
+  if (is_beta_effective_or_both()) {
+    delayed_groups.resize(n);
+  }
+  if (is_generation_time_or_both()) {
+    lifetimes.resize(n);
+  }
+}
+
+//! Update a list of values by adding a new value if the size
+//! of the list can accomodate the new value or by shifting all
+//! values to the left (removing the first value of the list
+//! and adding the new value at the end of the list).
+//!
+//! \param[in] value Value to add to the list
+//! \param[in] data Initial version of the list
+//! \return Updated list
+template<typename T>
+vector<T> _ifp(const T& value, const vector<T>& data)
+{
+  vector<T> updated;
+  size_t source_idx = data.size();
+
+  if (source_idx < settings::ifp_n_generation) {
+    updated.resize(source_idx + 1);
+    for (size_t i = 0; i < source_idx; i++) {
+      updated[i] = data[i];
+    }
+    updated[source_idx] = value;
+  } else if (source_idx == settings::ifp_n_generation) {
+    updated.resize(source_idx);
+    for (size_t i = 0; i < source_idx - 1; i++) {
+      updated[i] = data[i + 1];
+    }
+    updated[source_idx - 1] = value;
+  }
+  return updated;
+}
+
+//! \brief Iterated Fission Probability (IFP) method.
+//!
+//! Add the IFP information in the IFP banks using the same index
+//! as the one used to append the fission site to the fission bank.
+//! Multithreading protection is guaranteed by the index returned by the
+//! thread_safe_append call in physics.cpp.
+//!
+//! Needs to be done after the delayed group is found.
+//!
+//! \param[in] p Particle
+//! \param[in] site Fission site
+//! \param[in] idx Bank index from the thread_safe_append call in physics.cpp
+void ifp(const Particle& p, const SourceSite& site, int64_t idx);
+
+//! Resize the IFP banks used in the simulation
+void resize_simulation_ifp_banks();
+
+//! Retrieve IFP data from the IFP fission banks.
+//!
+//! \param[in] i_bank Index in the fission banks
+//! \param[in,out] delayed_groups Delayed group numbers
+//! \param[in,out] lifetimes Lifetimes lists
+void copy_ifp_data_from_fission_banks(
+  int i_bank, vector<int>& delayed_groups, vector<double>& lifetimes);
+
+#ifdef OPENMC_MPI
+
+//! Deserialization information for transfer of IFP data using MPI
+struct DeserializationInfo {
+  int64_t index_local; //!< local index
+  int64_t n;           //!< number of sites sent
+};
+
+//! Broadcast the number of generation determined by the size of the first
+//! element on the first processor.
+//!
+//! \param[in] n_generation Number of generations
+//! \param[in] delayed_groups List of delayed group numbers lists
+//! \param[in] lifetimes List of lifetimes lists
+void broadcast_ifp_n_generation(int& n_generation,
+  const vector<vector<int>>& delayed_groups,
+  const vector<vector<double>>& lifetimes);
+
+//! Send IFP data using MPI.
+//!
+//! \param[in] idx Index of the first site
+//! \param[in] n Number of sites to send
+//! \param[in] n_generation Number of generations
+//! \param[in] neighbor Index of the neighboring processor
+//! \param[in] requests MPI requests
+//! \param[in] delayed_groups List of delayed group numbers lists
+//! \param[out] send_delayed_groups Delayed group numbers buffer
+//! \param[in] lifetimes List of lifetimes lists
+//! \param[out] send_lifetimes Lifetimes buffer
+void send_ifp_info(int64_t idx, int64_t n, int n_generation, int neighbor,
+  vector<MPI_Request>& requests, const vector<vector<int>>& delayed_groups,
+  vector<int>& send_delayed_groups, const vector<vector<double>>& lifetimes,
+  vector<double>& send_lifetimes);
+
+//! Receive IFP data using MPI.
+//!
+//! \param[in] idx Index of the first site
+//! \param[in] n Number of sites to receive
+//! \param[in] n_generation Number of generations
+//! \param[in] neighbor Index of the neighboring processor
+//! \param[in] requests MPI requests
+//! \param[in] delayed_groups List of delayed group numbers
+//! \param[in] lifetimes List of lifetimes
+//! \param[out] deserialization Information to deserialize the received data
+void receive_ifp_data(int64_t idx, int64_t n, int n_generation, int neighbor,
+  vector<MPI_Request>& requests, vector<int>& delayed_groups,
+  vector<double>& lifetimes, vector<DeserializationInfo>& deserialization);
+
+//! Copy partial IFP data from local lists to source banks.
+//!
+//! \param[in] idx Index of the first site
+//! \param[in] n Number of sites to copy
+//! \param[in] i_bank Index in the IFP source banks
+//! \param[in] delayed_groups List of delayed group numbers lists
+//! \param[in] lifetimes List of lifetimes lists
+void copy_partial_ifp_data_to_source_banks(int64_t idx, int n, int64_t i_bank,
+  const vector<vector<int>>& delayed_groups,
+  const vector<vector<double>>& lifetimes);
+
+//! Deserialize IFP information received using MPI and store it in
+//! the IFP source banks.
+//!
+//! \param[in] n_generation Number of generations
+//! \param[out] deserialization Information to deserialize the received data
+//! \param[in] delayed_groups List of delayed group numbers
+//! \param[in] lifetimes List of lifetimes
+void deserialize_ifp_info(int n_generation,
+  const vector<DeserializationInfo>& deserialization,
+  const vector<int>& delayed_groups, const vector<double>& lifetimes);
+
+#endif
+
+//! Copy IFP temporary vectors to source banks.
+//!
+//! \param[in] delayed_groups List of delayed group numbers lists
+//! \param[in] lifetimes List of lifetimes lists
+void copy_complete_ifp_data_to_source_banks(
+  const vector<vector<int>>& delayed_groups,
+  const vector<vector<double>>& lifetimes);
+
+//! Allocate temporary vectors for IFP data.
+//!
+//! \param[in,out] delayed_groups List of delayed group numbers lists
+//! \param[in,out] lifetimes List of delayed group numbers lists
+void allocate_temporary_vector_ifp(
+  vector<vector<int>>& delayed_groups, vector<vector<double>>& lifetimes);
+
+//! Copy local IFP data to IFP fission banks.
+//!
+//! \param[in] delayed_groups_ptr Pointer to delayed group numbers
+//! \param[in] lifetimes_ptr Pointer to lifetimes
+void copy_ifp_data_to_fission_banks(
+  const vector<int>* delayed_groups_ptr, const vector<double>* lifetimes_ptr);
+
+} // namespace openmc
+
+#endif // OPENMC_IFP_H
diff --git a/include/openmc/particle_data.h b/include/openmc/particle_data.h
index 15ae57893..1570b780b 100644
--- a/include/openmc/particle_data.h
+++ b/include/openmc/particle_data.h
@@ -454,6 +454,9 @@ private:
 
   int cell_born_ {-1};
 
+  // Iterated Fission Probability
+  double lifetime_ {0.0}; //!< neutron lifetime [s]
+
   int n_collision_ {0};
 
   bool write_track_ {false};
@@ -560,6 +563,10 @@ public:
   double& time_last() { return time_last_; }
   const double& time_last() const { return time_last_; }
 
+  // Particle lifetime
+  double& lifetime() { return lifetime_; }
+  const double& lifetime() const { return lifetime_; }
+
   // What event took place, described in greater detail below
   TallyEvent& event() { return event_; }
   const TallyEvent& event() const { return event_; }
diff --git a/include/openmc/settings.h b/include/openmc/settings.h
index f3aff08b0..9017b2d08 100644
--- a/include/openmc/settings.h
+++ b/include/openmc/settings.h
@@ -24,6 +24,14 @@ enum class SSWCellType {
   To,
 };
 
+// Type of IFP parameters
+enum class IFPParameter {
+  None,
+  Both,
+  BetaEffective,
+  GenerationTime,
+};
+
 //==============================================================================
 // Global variable declarations
 //==============================================================================
@@ -42,7 +50,8 @@ extern bool
   delayed_photon_scaling;   //!< Scale fission photon yield to include delayed
 extern "C" bool entropy_on; //!< calculate Shannon entropy?
 extern "C" bool
-  event_based; //!< use event-based mode (instead of history-based)
+  event_based;      //!< use event-based mode (instead of history-based)
+extern bool ifp_on; //!< Use IFP for kinetics parameters?
 extern bool legendre_to_tabular; //!< convert Legendre distributions to tabular?
 extern bool material_cell_offsets;   //!< create material cells offsets?
 extern "C" bool output_summary;      //!< write summary.h5?
@@ -112,6 +121,10 @@ extern array<double, 4>
   energy_cutoff; //!< Energy cutoff in [eV] for each particle type
 extern array<double, 4>
   time_cutoff; //!< Time cutoff in [s] for each particle type
+extern int
+  ifp_n_generation; //!< Number of generation for Iterated Fission Probability
+extern IFPParameter
+  ifp_parameter; //!< Parameter to calculate for Iterated Fission Probability
 extern int
   legendre_to_tabular_points; //!< number of points to convert Legendres
 extern int max_order;         //!< Maximum Legendre order for multigroup data
diff --git a/openmc/lib/tally.py b/openmc/lib/tally.py
index d0b34aedc..c17b16597 100644
--- a/openmc/lib/tally.py
+++ b/openmc/lib/tally.py
@@ -104,7 +104,9 @@ _SCORES = {
     -5: 'absorption', -6: 'fission', -7: 'nu-fission', -8: 'kappa-fission',
     -9: 'current', -10: 'events', -11: 'delayed-nu-fission',
     -12: 'prompt-nu-fission', -13: 'inverse-velocity', -14: 'fission-q-prompt',
-    -15: 'fission-q-recoverable', -16: 'decay-rate', -17: 'pulse-height'
+    -15: 'fission-q-recoverable', -16: 'decay-rate', -17: 'pulse-height',
+    -18: 'ifp-time-numerator', -19: 'ifp-beta-numerator',
+    -20: 'ifp-denominator',
 }
 _ESTIMATORS = {
     0: 'analog', 1: 'tracklength', 2: 'collision'
diff --git a/openmc/settings.py b/openmc/settings.py
index a2bf51a51..6fb36f3fc 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -86,6 +86,9 @@ class Settings:
         .. versionadded:: 0.12
     generations_per_batch : int
         Number of generations per batch
+    ifp_n_generation : int
+        Number of generations to consider for the Iterated Fission Probability
+        method.
     max_lost_particles : int
         Maximum number of lost particles
 
@@ -375,6 +378,9 @@ class Settings:
 
         self._output = None
 
+        # Iterated Fission Probability
+        self._ifp_n_generation = None
+
         # Output options
         self._statepoint = {}
         self._sourcepoint = {}
@@ -826,6 +832,17 @@ class Settings:
         cv.check_less_than('verbosity', verbosity, 10, True)
         self._verbosity = verbosity
 
+    @property
+    def ifp_n_generation(self) -> int:
+        return self._ifp_n_generation
+
+    @ifp_n_generation.setter
+    def ifp_n_generation(self, ifp_n_generation: int):
+        if ifp_n_generation is not None:
+            cv.check_type("number of generations", ifp_n_generation, Integral)
+            cv.check_greater_than("number of generations", ifp_n_generation, 0)
+        self._ifp_n_generation = ifp_n_generation
+
     @property
     def tabular_legendre(self) -> dict:
         return self._tabular_legendre
@@ -1455,6 +1472,11 @@ class Settings:
             element = ET.SubElement(root, "no_reduce")
             element.text = str(self._no_reduce).lower()
 
+    def _create_ifp_n_generation_subelement(self, root):
+        if self._ifp_n_generation is not None:
+            element = ET.SubElement(root, "ifp_n_generation")
+            element.text = str(self._ifp_n_generation)
+
     def _create_tabular_legendre_subelements(self, root):
         if self.tabular_legendre:
             element = ET.SubElement(root, "tabular_legendre")
@@ -1888,6 +1910,11 @@ class Settings:
         if text is not None:
             self.verbosity = int(text)
 
+    def _ifp_n_generation_from_xml_element(self, root):
+        text = get_text(root, 'ifp_n_generation')
+        if text is not None:
+            self.ifp_n_generation = int(text)
+
     def _tabular_legendre_from_xml_element(self, root):
         elem = root.find('tabular_legendre')
         if elem is not None:
@@ -2116,6 +2143,7 @@ class Settings:
         self._create_trigger_subelement(element)
         self._create_no_reduce_subelement(element)
         self._create_verbosity_subelement(element)
+        self._create_ifp_n_generation_subelement(element)
         self._create_tabular_legendre_subelements(element)
         self._create_temperature_subelements(element)
         self._create_trace_subelement(element)
@@ -2225,6 +2253,7 @@ class Settings:
         settings._trigger_from_xml_element(elem)
         settings._no_reduce_from_xml_element(elem)
         settings._verbosity_from_xml_element(elem)
+        settings._ifp_n_generation_from_xml_element(elem)
         settings._tabular_legendre_from_xml_element(elem)
         settings._temperature_from_xml_element(elem)
         settings._trace_from_xml_element(elem)
diff --git a/src/bank.cpp b/src/bank.cpp
index 8d00d5440..9955939f6 100644
--- a/src/bank.cpp
+++ b/src/bank.cpp
@@ -1,6 +1,7 @@
 #include "openmc/bank.h"
 #include "openmc/capi.h"
 #include "openmc/error.h"
+#include "openmc/ifp.h"
 #include "openmc/message_passing.h"
 #include "openmc/simulation.h"
 #include "openmc/vector.h"
@@ -26,6 +27,14 @@ SharedArray<SourceSite> surf_source_bank;
 // function.
 SharedArray<SourceSite> fission_bank;
 
+vector<vector<int>> ifp_source_delayed_group_bank;
+
+vector<vector<double>> ifp_source_lifetime_bank;
+
+vector<vector<int>> ifp_fission_delayed_group_bank;
+
+vector<vector<double>> ifp_fission_lifetime_bank;
+
 // Each entry in this vector corresponds to the number of progeny produced
 // this generation for the particle located at that index. This vector is
 // used to efficiently sort the fission bank after each iteration.
@@ -43,6 +52,10 @@ void free_memory_bank()
   simulation::surf_source_bank.clear();
   simulation::fission_bank.clear();
   simulation::progeny_per_particle.clear();
+  simulation::ifp_source_delayed_group_bank.clear();
+  simulation::ifp_source_lifetime_bank.clear();
+  simulation::ifp_fission_delayed_group_bank.clear();
+  simulation::ifp_fission_lifetime_bank.clear();
 }
 
 void init_fission_bank(int64_t max)
@@ -82,6 +95,8 @@ void sort_fission_bank()
   // over provisioned, so we can use that as scratch space.
   SourceSite* sorted_bank;
   vector<SourceSite> sorted_bank_holder;
+  vector<vector<int>> sorted_ifp_delayed_group_bank;
+  vector<vector<double>> sorted_ifp_lifetime_bank;
 
   // If there is not enough space, allocate a temporary vector and point to it
   if (simulation::fission_bank.size() >
@@ -92,6 +107,11 @@ void sort_fission_bank()
     sorted_bank = &simulation::fission_bank[simulation::fission_bank.size()];
   }
 
+  if (settings::ifp_on) {
+    allocate_temporary_vector_ifp(
+      sorted_ifp_delayed_group_bank, sorted_ifp_lifetime_bank);
+  }
+
   // Use parent and progeny indices to sort fission bank
   for (int64_t i = 0; i < simulation::fission_bank.size(); i++) {
     const auto& site = simulation::fission_bank[i];
@@ -102,11 +122,19 @@ void sort_fission_bank()
                   "shared fission bank size.");
     }
     sorted_bank[idx] = site;
+    if (settings::ifp_on) {
+      copy_ifp_data_from_fission_banks(
+        i, sorted_ifp_delayed_group_bank[idx], sorted_ifp_lifetime_bank[idx]);
+    }
   }
 
   // Copy sorted bank into the fission bank
   std::copy(sorted_bank, sorted_bank + simulation::fission_bank.size(),
     simulation::fission_bank.data());
+  if (settings::ifp_on) {
+    copy_ifp_data_to_fission_banks(
+      sorted_ifp_delayed_group_bank.data(), sorted_ifp_lifetime_bank.data());
+  }
 }
 
 //==============================================================================
diff --git a/src/eigenvalue.cpp b/src/eigenvalue.cpp
index 8669d76f9..2685bbe98 100644
--- a/src/eigenvalue.cpp
+++ b/src/eigenvalue.cpp
@@ -11,6 +11,7 @@
 #include "openmc/constants.h"
 #include "openmc/error.h"
 #include "openmc/hdf5_interface.h"
+#include "openmc/ifp.h"
 #include "openmc/math_functions.h"
 #include "openmc/mesh.h"
 #include "openmc/message_passing.h"
@@ -153,8 +154,17 @@ void synchronize_bank()
   // Allocate temporary source bank -- we don't really know how many fission
   // sites were created, so overallocate by a factor of 3
   int64_t index_temp = 0;
+
   vector<SourceSite> temp_sites(3 * simulation::work_per_rank);
 
+  // Temporary banks for IFP
+  vector<vector<int>> temp_delayed_groups;
+  vector<vector<double>> temp_lifetimes;
+  if (settings::ifp_on) {
+    resize_ifp_data(
+      temp_delayed_groups, temp_lifetimes, 3 * simulation::work_per_rank);
+  }
+
   for (int64_t i = 0; i < simulation::fission_bank.size(); i++) {
     const auto& site = simulation::fission_bank[i];
 
@@ -165,6 +175,10 @@ void synchronize_bank()
     if (total < settings::n_particles) {
       for (int64_t j = 1; j <= settings::n_particles / total; ++j) {
         temp_sites[index_temp] = site;
+        if (settings::ifp_on) {
+          copy_ifp_data_from_fission_banks(
+            i, temp_delayed_groups[index_temp], temp_lifetimes[index_temp]);
+        }
         ++index_temp;
       }
     }
@@ -172,6 +186,10 @@ void synchronize_bank()
     // Randomly sample sites needed
     if (prn(&seed) < p_sample) {
       temp_sites[index_temp] = site;
+      if (settings::ifp_on) {
+        copy_ifp_data_from_fission_banks(
+          i, temp_delayed_groups[index_temp], temp_lifetimes[index_temp]);
+      }
       ++index_temp;
     }
   }
@@ -188,6 +206,8 @@ void synchronize_bank()
   MPI_Exscan(&index_temp, &start, 1, MPI_INT64_T, MPI_SUM, mpi::intracomm);
   finish = start + index_temp;
 
+  // TODO: protect for MPI_Exscan at rank 0
+
   // Allocate space for bank_position if this hasn't been done yet
   int64_t bank_position[mpi::n_procs];
   MPI_Allgather(
@@ -211,9 +231,15 @@ void synchronize_bank()
       // If we have too few sites, repeat sites from the very end of the
       // fission bank
       sites_needed = settings::n_particles - finish;
+      // TODO: sites_needed > simulation::fission_bank.size() or other test to
+      // make sure we don't need info from other proc
       for (int i = 0; i < sites_needed; ++i) {
         int i_bank = simulation::fission_bank.size() - sites_needed + i;
         temp_sites[index_temp] = simulation::fission_bank[i_bank];
+        if (settings::ifp_on) {
+          copy_ifp_data_from_fission_banks(i_bank,
+            temp_delayed_groups[index_temp], temp_lifetimes[index_temp]);
+        }
         ++index_temp;
       }
     }
@@ -229,15 +255,32 @@ void synchronize_bank()
   // ==========================================================================
   // SEND BANK SITES TO NEIGHBORS
 
+  // IFP number of generation
+  int ifp_n_generation;
+  if (settings::ifp_on) {
+    broadcast_ifp_n_generation(
+      ifp_n_generation, temp_delayed_groups, temp_lifetimes);
+  }
+
   int64_t index_local = 0;
   vector<MPI_Request> requests;
 
+  // IFP send buffers
+  vector<int> send_delayed_groups;
+  vector<double> send_lifetimes;
+
   if (start < settings::n_particles) {
     // Determine the index of the processor which has the first part of the
     // source_bank for the local processor
     int neighbor = upper_bound_index(
       simulation::work_index.begin(), simulation::work_index.end(), start);
 
+    // Resize IFP send buffers
+    if (settings::ifp_on && mpi::n_procs > 1) {
+      resize_ifp_data(send_delayed_groups, send_lifetimes,
+        ifp_n_generation * 3 * simulation::work_per_rank);
+    }
+
     while (start < finish) {
       // Determine the number of sites to send
       int64_t n =
@@ -250,6 +293,13 @@ void synchronize_bank()
         MPI_Isend(&temp_sites[index_local], static_cast<int>(n),
           mpi::source_site, neighbor, mpi::rank, mpi::intracomm,
           &requests.back());
+
+        if (settings::ifp_on) {
+          // Send IFP data
+          send_ifp_info(index_local, n, ifp_n_generation, neighbor, requests,
+            temp_delayed_groups, send_delayed_groups, temp_lifetimes,
+            send_lifetimes);
+        }
       }
 
       // Increment all indices
@@ -271,6 +321,11 @@ void synchronize_bank()
   start = simulation::work_index[mpi::rank];
   index_local = 0;
 
+  // IFP receive buffers
+  vector<int> recv_delayed_groups;
+  vector<double> recv_lifetimes;
+  vector<DeserializationInfo> deserialization_info;
+
   // Determine what process has the source sites that will need to be stored at
   // the beginning of this processor's source bank.
 
@@ -282,6 +337,12 @@ void synchronize_bank()
       upper_bound_index(bank_position, bank_position + mpi::n_procs, start);
   }
 
+  // Resize IFP receive buffers
+  if (settings::ifp_on && mpi::n_procs > 1) {
+    resize_ifp_data(recv_delayed_groups, recv_lifetimes,
+      ifp_n_generation * simulation::work_per_rank);
+  }
+
   while (start < simulation::work_index[mpi::rank + 1]) {
     // Determine how many sites need to be received
     int64_t n;
@@ -301,13 +362,24 @@ void synchronize_bank()
       MPI_Irecv(&simulation::source_bank[index_local], static_cast<int>(n),
         mpi::source_site, neighbor, neighbor, mpi::intracomm, &requests.back());
 
+      if (settings::ifp_on) {
+        // Receive IFP data
+        receive_ifp_data(index_local, n, ifp_n_generation, neighbor, requests,
+          recv_delayed_groups, recv_lifetimes, deserialization_info);
+      }
+
     } else {
-      // If the source sites are on this procesor, we can simply copy them
+      // If the source sites are on this processor, we can simply copy them
       // from the temp_sites bank
 
       index_temp = start - bank_position[mpi::rank];
       std::copy(&temp_sites[index_temp], &temp_sites[index_temp + n],
         &simulation::source_bank[index_local]);
+
+      if (settings::ifp_on) {
+        copy_partial_ifp_data_to_source_banks(
+          index_temp, n, index_local, temp_delayed_groups, temp_lifetimes);
+      }
     }
 
     // Increment all indices
@@ -323,9 +395,17 @@ void synchronize_bank()
   int n_request = requests.size();
   MPI_Waitall(n_request, requests.data(), MPI_STATUSES_IGNORE);
 
+  if (settings::ifp_on) {
+    deserialize_ifp_info(ifp_n_generation, deserialization_info,
+      recv_delayed_groups, recv_lifetimes);
+  }
+
 #else
   std::copy(temp_sites.data(), temp_sites.data() + settings::n_particles,
     simulation::source_bank.begin());
+  if (settings::ifp_on) {
+    copy_complete_ifp_data_to_source_banks(temp_delayed_groups, temp_lifetimes);
+  }
 #endif
 
   simulation::time_bank_sendrecv.stop();
diff --git a/src/finalize.cpp b/src/finalize.cpp
index ed3d0e7f4..54aa1d1d9 100644
--- a/src/finalize.cpp
+++ b/src/finalize.cpp
@@ -171,8 +171,9 @@ int openmc_finalize()
 
   // Free all MPI types
 #ifdef OPENMC_MPI
-  if (mpi::source_site != MPI_DATATYPE_NULL)
+  if (mpi::source_site != MPI_DATATYPE_NULL) {
     MPI_Type_free(&mpi::source_site);
+  }
 #endif
 
   openmc_reset_random_ray();
diff --git a/src/ifp.cpp b/src/ifp.cpp
new file mode 100644
index 000000000..1f81f26f6
--- /dev/null
+++ b/src/ifp.cpp
@@ -0,0 +1,216 @@
+#include "openmc/ifp.h"
+
+#include "openmc/bank.h"
+#include "openmc/message_passing.h"
+#include "openmc/particle.h"
+#include "openmc/particle_data.h"
+#include "openmc/settings.h"
+#include "openmc/simulation.h"
+#include "openmc/vector.h"
+
+namespace openmc {
+
+bool is_beta_effective_or_both()
+{
+  if (settings::ifp_parameter == IFPParameter::BetaEffective ||
+      settings::ifp_parameter == IFPParameter::Both) {
+    return true;
+  }
+  return false;
+}
+
+bool is_generation_time_or_both()
+{
+  if (settings::ifp_parameter == IFPParameter::GenerationTime ||
+      settings::ifp_parameter == IFPParameter::Both) {
+    return true;
+  }
+  return false;
+}
+
+void ifp(const Particle& p, const SourceSite& site, int64_t idx)
+{
+  if (is_beta_effective_or_both()) {
+    const auto& delayed_groups =
+      simulation::ifp_source_delayed_group_bank[p.current_work() - 1];
+    simulation::ifp_fission_delayed_group_bank[idx] =
+      _ifp(site.delayed_group, delayed_groups);
+  }
+  if (is_generation_time_or_both()) {
+    const auto& lifetimes =
+      simulation::ifp_source_lifetime_bank[p.current_work() - 1];
+    simulation::ifp_fission_lifetime_bank[idx] = _ifp(p.lifetime(), lifetimes);
+  }
+}
+
+void resize_simulation_ifp_banks()
+{
+  resize_ifp_data(simulation::ifp_source_delayed_group_bank,
+    simulation::ifp_source_lifetime_bank, simulation::work_per_rank);
+  resize_ifp_data(simulation::ifp_fission_delayed_group_bank,
+    simulation::ifp_fission_lifetime_bank, 3 * simulation::work_per_rank);
+}
+
+void copy_ifp_data_from_fission_banks(
+  int i_bank, vector<int>& delayed_groups, vector<double>& lifetimes)
+{
+  if (is_beta_effective_or_both()) {
+    delayed_groups = simulation::ifp_fission_delayed_group_bank[i_bank];
+  }
+  if (is_generation_time_or_both()) {
+    lifetimes = simulation::ifp_fission_lifetime_bank[i_bank];
+  }
+}
+
+#ifdef OPENMC_MPI
+
+void broadcast_ifp_n_generation(int& n_generation,
+  const vector<vector<int>>& delayed_groups,
+  const vector<vector<double>>& lifetimes)
+{
+  if (mpi::rank == 0) {
+    if (is_beta_effective_or_both()) {
+      n_generation = static_cast<int>(delayed_groups[0].size());
+    } else {
+      n_generation = static_cast<int>(lifetimes[0].size());
+    }
+  }
+  MPI_Bcast(&n_generation, 1, MPI_INT, 0, mpi::intracomm);
+}
+
+void send_ifp_info(int64_t idx, int64_t n, int n_generation, int neighbor,
+  vector<MPI_Request>& requests, const vector<vector<int>>& delayed_groups,
+  vector<int>& send_delayed_groups, const vector<vector<double>>& lifetimes,
+  vector<double>& send_lifetimes)
+{
+  // Copy data in send buffers
+  for (int i = idx; i < idx + n; i++) {
+    if (is_beta_effective_or_both()) {
+      std::copy(delayed_groups[i].begin(), delayed_groups[i].end(),
+        send_delayed_groups.begin() + i * n_generation);
+    }
+    if (is_generation_time_or_both()) {
+      std::copy(lifetimes[i].begin(), lifetimes[i].end(),
+        send_lifetimes.begin() + i * n_generation);
+    }
+  }
+  // Send delayed groups
+  if (is_beta_effective_or_both()) {
+    requests.emplace_back();
+    MPI_Isend(&send_delayed_groups[n_generation * idx],
+      n_generation * static_cast<int>(n), MPI_INT, neighbor, mpi::rank,
+      mpi::intracomm, &requests.back());
+  }
+  // Send lifetimes
+  if (is_generation_time_or_both()) {
+    requests.emplace_back();
+    MPI_Isend(&send_lifetimes[n_generation * idx],
+      n_generation * static_cast<int>(n), MPI_DOUBLE, neighbor, mpi::rank,
+      mpi::intracomm, &requests.back());
+  }
+}
+
+void receive_ifp_data(int64_t idx, int64_t n, int n_generation, int neighbor,
+  vector<MPI_Request>& requests, vector<int>& delayed_groups,
+  vector<double>& lifetimes, vector<DeserializationInfo>& deserialization)
+{
+  // Receive delayed groups
+  if (is_beta_effective_or_both()) {
+    requests.emplace_back();
+    MPI_Irecv(&delayed_groups[n_generation * idx],
+      n_generation * static_cast<int>(n), MPI_INT, neighbor, neighbor,
+      mpi::intracomm, &requests.back());
+  }
+  // Receive lifetimes
+  if (is_generation_time_or_both()) {
+    requests.emplace_back();
+    MPI_Irecv(&lifetimes[n_generation * idx],
+      n_generation * static_cast<int>(n), MPI_DOUBLE, neighbor, neighbor,
+      mpi::intracomm, &requests.back());
+  }
+  // Deserialization info to reconstruct data later
+  DeserializationInfo info = {idx, n};
+  deserialization.push_back(info);
+}
+
+void copy_partial_ifp_data_to_source_banks(int64_t idx, int n, int64_t i_bank,
+  const vector<vector<int>>& delayed_groups,
+  const vector<vector<double>>& lifetimes)
+{
+  if (is_beta_effective_or_both()) {
+    std::copy(&delayed_groups[idx], &delayed_groups[idx + n],
+      &simulation::ifp_source_delayed_group_bank[i_bank]);
+  }
+  if (is_generation_time_or_both()) {
+    std::copy(&lifetimes[idx], &lifetimes[idx + n],
+      &simulation::ifp_source_lifetime_bank[i_bank]);
+  }
+}
+
+void deserialize_ifp_info(int n_generation,
+  const vector<DeserializationInfo>& deserialization,
+  const vector<int>& delayed_groups, const vector<double>& lifetimes)
+{
+  for (auto info : deserialization) {
+    int64_t index_local = info.index_local;
+    int64_t n = info.n;
+
+    for (int i = index_local; i < index_local + n; i++) {
+      if (is_beta_effective_or_both()) {
+        vector<int> delayed_groups_received(
+          delayed_groups.begin() + n_generation * i,
+          delayed_groups.begin() + n_generation * (i + 1));
+        simulation::ifp_source_delayed_group_bank[i] = delayed_groups_received;
+      }
+      if (is_generation_time_or_both()) {
+        vector<double> lifetimes_received(lifetimes.begin() + n_generation * i,
+          lifetimes.begin() + n_generation * (i + 1));
+        simulation::ifp_source_lifetime_bank[i] = lifetimes_received;
+      }
+    }
+  }
+}
+
+#endif
+
+void copy_complete_ifp_data_to_source_banks(
+  const vector<vector<int>>& delayed_groups,
+  const vector<vector<double>>& lifetimes)
+{
+  if (is_beta_effective_or_both()) {
+    std::copy(delayed_groups.data(),
+      delayed_groups.data() + settings::n_particles,
+      simulation::ifp_source_delayed_group_bank.begin());
+  }
+  if (is_generation_time_or_both()) {
+    std::copy(lifetimes.data(), lifetimes.data() + settings::n_particles,
+      simulation::ifp_source_lifetime_bank.begin());
+  }
+}
+
+void allocate_temporary_vector_ifp(
+  vector<vector<int>>& delayed_groups, vector<vector<double>>& lifetimes)
+{
+  if (is_beta_effective_or_both()) {
+    delayed_groups.resize(simulation::fission_bank.size());
+  }
+  if (is_generation_time_or_both()) {
+    lifetimes.resize(simulation::fission_bank.size());
+  }
+}
+
+void copy_ifp_data_to_fission_banks(const vector<int>* const delayed_groups_ptr,
+  const vector<double>* lifetimes_ptr)
+{
+  if (is_beta_effective_or_both()) {
+    std::copy(delayed_groups_ptr,
+      delayed_groups_ptr + simulation::fission_bank.size(),
+      simulation::ifp_fission_delayed_group_bank.data());
+  }
+  if (is_generation_time_or_both()) {
+    std::copy(lifetimes_ptr, lifetimes_ptr + simulation::fission_bank.size(),
+      simulation::ifp_fission_lifetime_bank.data());
+  }
+}
+
+} // namespace openmc
diff --git a/src/output.cpp b/src/output.cpp
index e20868efb..baaf682a1 100644
--- a/src/output.cpp
+++ b/src/output.cpp
@@ -593,6 +593,9 @@ const std::unordered_map<int, const char*> score_names = {
   {SCORE_FISS_Q_RECOV, "Recoverable fission power"},
   {SCORE_CURRENT, "Current"},
   {SCORE_PULSE_HEIGHT, "pulse-height"},
+  {SCORE_IFP_TIME_NUM, "IFP lifetime numerator"},
+  {SCORE_IFP_BETA_NUM, "IFP delayed fraction numerator"},
+  {SCORE_IFP_DENOM, "IFP common denominator"},
 };
 
 //! Create an ASCII output file showing all tally results.
diff --git a/src/particle.cpp b/src/particle.cpp
index c51011d6b..324276d15 100644
--- a/src/particle.cpp
+++ b/src/particle.cpp
@@ -116,6 +116,7 @@ void Particle::from_source(const SourceSite* src)
   n_collision() = 0;
   fission() = false;
   zero_flux_derivs();
+  lifetime() = 0.0;
 
   // Copy attributes from source bank site
   type() = src->particle;
@@ -235,7 +236,9 @@ void Particle::event_advance()
   for (int j = 0; j < n_coord(); ++j) {
     coord(j).r += distance * coord(j).u;
   }
-  this->time() += distance / this->speed();
+  double dt = distance / this->speed();
+  this->time() += dt;
+  this->lifetime() += dt;
 
   // Kill particle if its time exceeds the cutoff
   bool hit_time_boundary = false;
@@ -243,6 +246,7 @@ void Particle::event_advance()
   if (time() > time_cutoff) {
     double dt = time() - time_cutoff;
     time() = time_cutoff;
+    lifetime() = time_cutoff;
 
     double push_back_distance = speed() * dt;
     this->move_distance(-push_back_distance);
diff --git a/src/physics.cpp b/src/physics.cpp
index 72c04a5ca..a8e5b9e81 100644
--- a/src/physics.cpp
+++ b/src/physics.cpp
@@ -8,6 +8,7 @@
 #include "openmc/eigenvalue.h"
 #include "openmc/endf.h"
 #include "openmc/error.h"
+#include "openmc/ifp.h"
 #include "openmc/material.h"
 #include "openmc/math_functions.h"
 #include "openmc/message_passing.h"
@@ -233,6 +234,10 @@ void create_fission_sites(Particle& p, int i_nuclide, const Reaction& rx)
         // Break out of loop as no more sites can be added to fission bank
         break;
       }
+      // Iterated Fission Probability (IFP) method
+      if (settings::ifp_on) {
+        ifp(p, site, idx);
+      }
     } else {
       p.secondary_bank().push_back(site);
     }
diff --git a/src/reaction.cpp b/src/reaction.cpp
index 971473438..d96790c6d 100644
--- a/src/reaction.cpp
+++ b/src/reaction.cpp
@@ -202,6 +202,9 @@ std::unordered_map<int, std::string> REACTION_NAME_MAP {
   {SCORE_FISS_Q_PROMPT, "fission-q-prompt"},
   {SCORE_FISS_Q_RECOV, "fission-q-recoverable"},
   {SCORE_PULSE_HEIGHT, "pulse-height"},
+  {SCORE_IFP_TIME_NUM, "ifp-time-numerator"},
+  {SCORE_IFP_BETA_NUM, "ifp-beta-numerator"},
+  {SCORE_IFP_DENOM, "ifp-denominator"},
   // Normal ENDF-based reactions
   {TOTAL_XS, "(n,total)"},
   {ELASTIC, "(n,elastic)"},
diff --git a/src/settings.cpp b/src/settings.cpp
index 53fcdec38..c135fa339 100644
--- a/src/settings.cpp
+++ b/src/settings.cpp
@@ -52,6 +52,7 @@ bool create_fission_neutrons {true};
 bool delayed_photon_scaling {true};
 bool entropy_on {false};
 bool event_based {false};
+bool ifp_on {false};
 bool legendre_to_tabular {true};
 bool material_cell_offsets {true};
 bool output_summary {true};
@@ -106,6 +107,8 @@ int max_particle_events {1000000};
 ElectronTreatment electron_treatment {ElectronTreatment::TTB};
 array<double, 4> energy_cutoff {0.0, 1000.0, 0.0, 0.0};
 array<double, 4> time_cutoff {INFTY, INFTY, INFTY, INFTY};
+int ifp_n_generation {-1};
+IFPParameter ifp_parameter {IFPParameter::None};
 int legendre_to_tabular_points {C_NONE};
 int max_order {0};
 int n_log_bins {8000};
@@ -1059,6 +1062,20 @@ void read_settings_xml(pugi::xml_node root)
     temperature_range[1] = range.at(1);
   }
 
+  // Check for user value for the number of generation of the Iterated Fission
+  // Probability (IFP) method
+  if (check_for_node(root, "ifp_n_generation")) {
+    ifp_n_generation = std::stoi(get_node_value(root, "ifp_n_generation"));
+    if (ifp_n_generation <= 0) {
+      fatal_error("'ifp_n_generation' must be greater than 0.");
+    }
+    // Avoid tallying 0 if IFP logs are not complete when active cycles start
+    if (ifp_n_generation > n_inactive) {
+      fatal_error("'ifp_n_generation' must be lower than or equal to the "
+                  "number of inactive cycles.");
+    }
+  }
+
   // Check for tabular_legendre options
   if (check_for_node(root, "tabular_legendre")) {
     // Get pointer to tabular_legendre node
diff --git a/src/simulation.cpp b/src/simulation.cpp
index 74a7dbe63..e4521c06d 100644
--- a/src/simulation.cpp
+++ b/src/simulation.cpp
@@ -7,6 +7,7 @@
 #include "openmc/error.h"
 #include "openmc/event.h"
 #include "openmc/geometry_aux.h"
+#include "openmc/ifp.h"
 #include "openmc/material.h"
 #include "openmc/mcpl_interface.h"
 #include "openmc/message_passing.h"
@@ -335,6 +336,11 @@ void allocate_banks()
 
     // Allocate fission bank
     init_fission_bank(3 * simulation::work_per_rank);
+
+    // Allocate IFP bank
+    if (settings::ifp_on) {
+      resize_simulation_ifp_banks();
+    }
   }
 
   if (settings::surf_source_write) {
diff --git a/src/tallies/tally.cpp b/src/tallies/tally.cpp
index 96d684f71..35805b20d 100644
--- a/src/tallies/tally.cpp
+++ b/src/tallies/tally.cpp
@@ -180,6 +180,64 @@ Tally::Tally(pugi::xml_node node)
     fatal_error(fmt::format("No scores specified on tally {}.", id_));
   }
 
+  // Set IFP if needed
+  if (!settings::ifp_on) {
+    // Determine if this tally has an IFP score
+    bool has_ifp_score = false;
+    for (int score : scores_) {
+      if (score == SCORE_IFP_TIME_NUM || score == SCORE_IFP_BETA_NUM ||
+          score == SCORE_IFP_DENOM) {
+        has_ifp_score = true;
+        break;
+      }
+    }
+
+    // Check for errors
+    if (has_ifp_score) {
+      if (settings::run_mode == RunMode::EIGENVALUE) {
+        if (settings::ifp_n_generation < 0) {
+          settings::ifp_n_generation = DEFAULT_IFP_N_GENERATION;
+          warning(fmt::format(
+            "{} generations will be used for IFP (default value). It can be "
+            "changed using the 'ifp_n_generation' settings.",
+            settings::ifp_n_generation));
+        }
+        if (settings::ifp_n_generation > settings::n_inactive) {
+          fatal_error("'ifp_n_generation' must be lower than or equal to the "
+                      "number of inactive cycles.");
+        }
+        settings::ifp_on = true;
+      } else {
+        fatal_error(
+          "Iterated Fission Probability can only be used in an eigenvalue "
+          "calculation.");
+      }
+    }
+  }
+
+  // Set IFP parameters if needed
+  if (settings::ifp_on) {
+    for (int score : scores_) {
+      switch (score) {
+      case SCORE_IFP_TIME_NUM:
+        if (settings::ifp_parameter == IFPParameter::None) {
+          settings::ifp_parameter = IFPParameter::GenerationTime;
+        } else if (settings::ifp_parameter == IFPParameter::BetaEffective) {
+          settings::ifp_parameter = IFPParameter::Both;
+        }
+        break;
+      case SCORE_IFP_BETA_NUM:
+      case SCORE_IFP_DENOM:
+        if (settings::ifp_parameter == IFPParameter::None) {
+          settings::ifp_parameter = IFPParameter::BetaEffective;
+        } else if (settings::ifp_parameter == IFPParameter::GenerationTime) {
+          settings::ifp_parameter = IFPParameter::Both;
+        }
+        break;
+      }
+    }
+  }
+
   // Check if tally is compatible with particle type
   if (!settings::photon_transport) {
     for (int score : scores_) {
@@ -585,7 +643,12 @@ void Tally::set_scores(const vector<std::string>& scores)
           }
         }
       }
+      break;
 
+    case SCORE_IFP_TIME_NUM:
+    case SCORE_IFP_BETA_NUM:
+    case SCORE_IFP_DENOM:
+      estimator_ = TallyEstimator::COLLISION;
       break;
     }
 
diff --git a/src/tallies/tally_scoring.cpp b/src/tallies/tally_scoring.cpp
index 02cb48567..5c6386fb4 100644
--- a/src/tallies/tally_scoring.cpp
+++ b/src/tallies/tally_scoring.cpp
@@ -4,6 +4,7 @@
 #include "openmc/capi.h"
 #include "openmc/constants.h"
 #include "openmc/error.h"
+#include "openmc/ifp.h"
 #include "openmc/material.h"
 #include "openmc/mgxs_interface.h"
 #include "openmc/nuclide.h"
@@ -890,6 +891,56 @@ void score_general_ce_nonanalog(Particle& p, int i_tally, int start_index,
         score_fission_q(p, score_bin, tally, flux, i_nuclide, atom_density);
       break;
 
+    case SCORE_IFP_TIME_NUM:
+      if (settings::ifp_on) {
+        if ((p.type() == Type::neutron) && (p.fission())) {
+          if (is_generation_time_or_both()) {
+            const auto& lifetimes =
+              simulation::ifp_source_lifetime_bank[p.current_work() - 1];
+            if (lifetimes.size() == settings::ifp_n_generation) {
+              score = lifetimes[0] * p.wgt_last();
+            }
+          }
+        }
+      }
+      break;
+
+    case SCORE_IFP_BETA_NUM:
+      if (settings::ifp_on) {
+        if ((p.type() == Type::neutron) && (p.fission())) {
+          if (is_beta_effective_or_both()) {
+            const auto& delayed_groups =
+              simulation::ifp_source_delayed_group_bank[p.current_work() - 1];
+            if (delayed_groups.size() == settings::ifp_n_generation) {
+              if (delayed_groups[0] > 0) {
+                score = p.wgt_last();
+              }
+            }
+          }
+        }
+      }
+      break;
+
+    case SCORE_IFP_DENOM:
+      if (settings::ifp_on) {
+        if ((p.type() == Type::neutron) && (p.fission())) {
+          int ifp_data_size;
+          if (is_beta_effective_or_both()) {
+            ifp_data_size = static_cast<int>(
+              simulation::ifp_source_delayed_group_bank[p.current_work() - 1]
+                .size());
+          } else {
+            ifp_data_size = static_cast<int>(
+              simulation::ifp_source_lifetime_bank[p.current_work() - 1]
+                .size());
+          }
+          if (ifp_data_size == settings::ifp_n_generation) {
+            score = p.wgt_last();
+          }
+        }
+      }
+      break;
+
     case N_2N:
     case N_3N:
     case N_4N:
diff --git a/tests/regression_tests/ifp/__init__.py b/tests/regression_tests/ifp/__init__.py
new file mode 100644
index 000000000..e69de29bb
diff --git a/tests/regression_tests/ifp/inputs_true.dat b/tests/regression_tests/ifp/inputs_true.dat
new file mode 100644
index 000000000..a3a3f1d77
--- /dev/null
+++ b/tests/regression_tests/ifp/inputs_true.dat
@@ -0,0 +1,33 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material depletable="true" id="1" name="core">
+      <density units="g/cm3" value="16.0"/>
+      <nuclide ao="1.0" name="U235"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="-1" universe="1"/>
+    <surface boundary="vacuum" coeffs="0.0 0.0 0.0 10.0" id="1" type="sphere"/>
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>1000</particles>
+    <batches>20</batches>
+    <inactive>5</inactive>
+    <source particle="neutron" strength="1.0" type="independent">
+      <space type="box">
+        <parameters>-10.0 -10.0 -10.0 10.0 10.0 10.0</parameters>
+      </space>
+      <constraints>
+        <fissionable>true</fissionable>
+      </constraints>
+    </source>
+    <ifp_n_generation>5</ifp_n_generation>
+  </settings>
+  <tallies>
+    <tally id="1" name="ifp-scores">
+      <scores>ifp-time-numerator ifp-beta-numerator ifp-denominator</scores>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/ifp/results_true.dat b/tests/regression_tests/ifp/results_true.dat
new file mode 100644
index 000000000..a74e2bd78
--- /dev/null
+++ b/tests/regression_tests/ifp/results_true.dat
@@ -0,0 +1,9 @@
+k-combined:
+1.007452E+00 5.705278E-03
+tally 1:
+8.996235E-08
+5.461421E-16
+4.800000E-02
+4.680000E-04
+1.512000E+01
+1.526063E+01
diff --git a/tests/regression_tests/ifp/test.py b/tests/regression_tests/ifp/test.py
new file mode 100644
index 000000000..6969a54c4
--- /dev/null
+++ b/tests/regression_tests/ifp/test.py
@@ -0,0 +1,45 @@
+"""Test the Iterated Fission Probability (IFP) method to compute adjoint-weighted
+kinetics parameters using dedicated tallies."""
+
+import openmc
+import pytest
+
+from tests.testing_harness import PyAPITestHarness
+
+
+@pytest.fixture()
+def ifp_model():
+    model = openmc.Model()
+
+    # Material
+    material = openmc.Material(name="core")
+    material.add_nuclide("U235", 1.0)
+    material.set_density('g/cm3', 16.0)
+
+    # Geometry
+    radius = 10.0
+    sphere = openmc.Sphere(r=radius, boundary_type="vacuum")
+    cell = openmc.Cell(region=-sphere, fill=material)
+    model.geometry = openmc.Geometry([cell])
+
+    # Settings
+    model.settings.particles = 1000
+    model.settings.batches = 20
+    model.settings.inactive = 5
+    model.settings.ifp_n_generation = 5
+
+    space = openmc.stats.Box(*cell.bounding_box)
+    model.settings.source = openmc.IndependentSource(
+        space=space, constraints={'fissionable': True})
+
+    # Tally IFP scores
+    tally = openmc.Tally(name="ifp-scores")
+    tally.scores = ["ifp-time-numerator", "ifp-beta-numerator", "ifp-denominator"]
+    model.tallies = [tally]
+
+    return model
+
+
+def test_iterated_fission_probability(ifp_model):
+    harness = PyAPITestHarness("statepoint.20.h5", model=ifp_model)
+    harness.main()
diff --git a/tests/unit_tests/test_ifp.py b/tests/unit_tests/test_ifp.py
new file mode 100644
index 000000000..8d0fd9801
--- /dev/null
+++ b/tests/unit_tests/test_ifp.py
@@ -0,0 +1,49 @@
+"""Test the Iterated Fission Probability (IFP) method to compute adjoint-weighted
+kinetics parameters using dedicated tallies."""
+
+import pytest
+import openmc
+
+
+def test_xml_serialization(run_in_tmpdir):
+    """Check that a simple use case can be written and read in XML."""
+    parameter = 5
+    settings = openmc.Settings()
+    settings.ifp_n_generation = parameter
+    settings.export_to_xml()
+
+    read_settings = openmc.Settings.from_xml()
+    assert read_settings.ifp_n_generation == parameter
+
+
+@pytest.fixture(scope="module")
+def geometry():
+    openmc.reset_auto_ids()
+    material = openmc.Material()
+    material.add_nuclide("U235", 1.0)
+    sphere = openmc.Sphere(r=1.0, boundary_type="vacuum")
+    cell = openmc.Cell(region=-sphere, fill=material)
+    return openmc.Geometry([cell])
+
+
+@pytest.mark.parametrize(
+    "options, error",
+    [
+        ({"ifp_n_generation": 0}, ValueError),
+        ({"ifp_n_generation": -1}, ValueError),
+        ({"run_mode": "fixed source"}, RuntimeError),
+        ({"inactive": 5, "ifp_n_generation": 6}, RuntimeError),
+        ({"inactive": 9}, RuntimeError)
+    ],
+)
+def test_exceptions(options, error, run_in_tmpdir, geometry):
+    """Test settings configuration that should return an error."""
+    with pytest.raises(error):
+        settings = openmc.Settings(**options)
+        settings.particles = 100
+        settings.batches = 15
+        tally = openmc.Tally(name="ifp-scores")
+        tally.scores = ["ifp-time-numerator", "ifp-beta-numerator", "ifp-denominator"]
+        tallies = openmc.Tallies([tally])
+        model = openmc.Model(geometry=geometry, settings=settings, tallies=tallies)
+        model.run()

From a1134409863361c553014150949695407dea8287 Mon Sep 17 00:00:00 2001
From: John Tramm <john.tramm@gmail.com>
Date: Tue, 22 Apr 2025 12:17:04 -0500
Subject: [PATCH 2290/2654] Small Fixes to Allow Random Ray to Work with DAGMC
 (#3374)

Co-authored-by: Patrick Shriwise <pshriwise@gmail.com>
---
 openmc/model/model.py                    | 121 +++++++++++++++--------
 src/random_ray/random_ray.cpp            |   2 +-
 src/random_ray/random_ray_simulation.cpp |   4 +-
 3 files changed, 84 insertions(+), 43 deletions(-)

diff --git a/openmc/model/model.py b/openmc/model/model.py
index 260059f4a..9ff574ec6 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -263,7 +263,7 @@ class Model:
         return model
 
     def init_lib(self, threads=None, geometry_debug=False, restart_file=None,
-                 tracks=False, output=True, event_based=None, intracomm=None):
+                 tracks=False, output=True, event_based=None, intracomm=None, directory=None):
         """Initializes the model in memory via the C API
 
         .. versionadded:: 0.13.0
@@ -291,6 +291,8 @@ class Model:
             the Settings will be used.
         intracomm : mpi4py.MPI.Intracomm or None, optional
             MPI intracommunicator
+        directory : str or None, optional
+            Directory to write XML files to. Defaults to None.
         """
 
         import openmc.lib
@@ -304,7 +306,8 @@ class Model:
         args = _process_CLI_arguments(
             volume=False, geometry_debug=geometry_debug,
             restart_file=restart_file, threads=threads, tracks=tracks,
-            event_based=event_based)
+            event_based=event_based, path_input=directory)
+
         # Args adds the openmc_exec command in the first entry; remove it
         args = args[1:]
 
@@ -318,7 +321,10 @@ class Model:
             self._intracomm = DummyCommunicator()
 
         if self._intracomm.rank == 0:
-            self.export_to_xml()
+            if directory is not None:
+                self.export_to_xml(directory=directory)
+            else:
+                self.export_to_xml()
         self._intracomm.barrier()
 
         # We cannot pass DummyCommunicator to openmc.lib.init so pass instead
@@ -1443,7 +1449,7 @@ class Model:
                 self.geometry.get_all_materials().values()
             )
 
-    def _generate_infinite_medium_mgxs(self, groups, nparticles, mgxs_path, correction):
+    def _generate_infinite_medium_mgxs(self, groups, nparticles, mgxs_path, correction, directory):
         """Generate a MGXS library by running multiple OpenMC simulations, each
         representing an infinite medium simulation of a single isolated
         material. A discrete source is used to sample particles, with an equal
@@ -1455,8 +1461,15 @@ class Model:
         ----------
         groups : openmc.mgxs.EnergyGroups
             Energy group structure for the MGXS.
-        mgxs_path : path-like
+        nparticles : int
+            Number of particles to simulate per batch when generating MGXS.
+        mgxs_path : str
             Filename for the MGXS HDF5 file.
+        correction : str
+            Transport correction to apply to the MGXS. Options are None and
+            "P0".
+        directory : str
+            Directory to run the simulation in, so as to contain XML files.
         """
         warnings.warn("The infinite medium method of generating MGXS may hang "
                       "if a material has a k-infinity > 1.0.")
@@ -1537,7 +1550,7 @@ class Model:
             mgxs_lib.add_to_tallies_file(model.tallies, merge=True)
 
             # Run
-            statepoint_filename = model.run()
+            statepoint_filename = model.run(cwd=directory)
 
             # Load MGXS
             with openmc.StatePoint(statepoint_filename) as sp:
@@ -1623,7 +1636,7 @@ class Model:
 
         return geometry, box
 
-    def _generate_stochastic_slab_mgxs(self, groups, nparticles, mgxs_path, correction) -> None:
+    def _generate_stochastic_slab_mgxs(self, groups, nparticles, mgxs_path, correction, directory) -> None:
         """Generate MGXS assuming a stochastic "sandwich" of materials in a layered
         slab geometry. While geometry-specific spatial shielding effects are not
         captured, this method can be useful when the geometry has materials only
@@ -1638,8 +1651,15 @@ class Model:
         ----------
         groups : openmc.mgxs.EnergyGroups
             Energy group structure for the MGXS.
-        mgxs_path : path-like
+        nparticles : int
+            Number of particles to simulate per batch when generating MGXS.
+        mgxs_path : str
             Filename for the MGXS HDF5 file.
+        correction : str
+            Transport correction to apply to the MGXS. Options are None and
+            "P0".
+        directory : str
+            Directory to run the simulation in, so as to contain XML files.
         """
         openmc.reset_auto_ids()
         model = openmc.Model()
@@ -1709,7 +1729,7 @@ class Model:
         mgxs_lib.add_to_tallies_file(model.tallies, merge=True)
 
         # Run
-        statepoint_filename = model.run()
+        statepoint_filename = model.run(cwd=directory)
 
         # Load MGXS
         with openmc.StatePoint(statepoint_filename) as sp:
@@ -1721,7 +1741,7 @@ class Model:
         mgxs_file = mgxs_lib.create_mg_library(xs_type='macro', xsdata_names=names)
         mgxs_file.export_to_hdf5(mgxs_path)
 
-    def _generate_material_wise_mgxs(self, groups, nparticles, mgxs_path, correction) -> None:
+    def _generate_material_wise_mgxs(self, groups, nparticles, mgxs_path, correction, directory) -> None:
         """Generate a material-wise MGXS library for the model by running the
         original continuous energy OpenMC simulation of the full material
         geometry and source, and tally MGXS data for each material. This method
@@ -1736,8 +1756,15 @@ class Model:
         ----------
         groups : openmc.mgxs.EnergyGroups
             Energy group structure for the MGXS.
+        nparticles : int
+            Number of particles to simulate per batch when generating MGXS.
         mgxs_path : str
             Filename for the MGXS HDF5 file.
+        correction : str
+            Transport correction to apply to the MGXS. Options are None and
+            "P0".
+        directory : str
+            Directory to run the simulation in, so as to contain XML files.
         """
         openmc.reset_auto_ids()
         model = copy.deepcopy(self)
@@ -1791,7 +1818,7 @@ class Model:
         mgxs_lib.add_to_tallies_file(model.tallies, merge=True)
 
         # Run
-        statepoint_filename = model.run()
+        statepoint_filename = model.run(cwd=directory)
 
         # Load MGXS
         with openmc.StatePoint(statepoint_filename) as sp:
@@ -1828,39 +1855,53 @@ class Model:
         if isinstance(groups, str):
             groups = openmc.mgxs.EnergyGroups(groups)
 
-        # Make sure all materials have a name, and that the name is a valid HDF5
-        # dataset name
-        for material in self.materials:
-            if material.name is None:
-                material.name = f"material {material.id}"
-            material.name = re.sub(r'[^a-zA-Z0-9]', '_', material.name)
+        # Do all work (including MGXS generation) in a temporary directory
+        # to avoid polluting the working directory with residual XML files
+        with TemporaryDirectory() as tmpdir:
 
-        # If needed, generate the needed MGXS data library file
-        if not Path(mgxs_path).is_file() or overwrite_mgxs_library:
-            if method == "infinite_medium":
-                self._generate_infinite_medium_mgxs(
-                    groups, nparticles, mgxs_path, correction)
-            elif method == "material_wise":
-                self._generate_material_wise_mgxs(
-                    groups, nparticles, mgxs_path, correction)
-            elif method == "stochastic_slab":
-                self._generate_stochastic_slab_mgxs(
-                    groups, nparticles, mgxs_path, correction)
+            # Determine if there are DAGMC universes in the model. If so, we need to synchronize
+            # the dagmc materials with cells.
+            # TODO: Can this be done without having to init/finalize?
+            for univ in self.geometry.get_all_universes().values():
+                if isinstance(univ, openmc.DAGMCUniverse):
+                    self.init_lib(directory=tmpdir)
+                    self.sync_dagmc_universes()
+                    self.finalize_lib()
+                    break
+            
+            # Make sure all materials have a name, and that the name is a valid HDF5
+            # dataset name
+            for material in self.materials:
+                if material.name is None:
+                    material.name = f"material {material.id}"
+                material.name = re.sub(r'[^a-zA-Z0-9]', '_', material.name)
+
+            # If needed, generate the needed MGXS data library file
+            if not Path(mgxs_path).is_file() or overwrite_mgxs_library:
+                if method == "infinite_medium":
+                    self._generate_infinite_medium_mgxs(
+                        groups, nparticles, mgxs_path, correction, tmpdir)
+                elif method == "material_wise":
+                    self._generate_material_wise_mgxs(
+                        groups, nparticles, mgxs_path, correction, tmpdir)
+                elif method == "stochastic_slab":
+                    self._generate_stochastic_slab_mgxs(
+                        groups, nparticles, mgxs_path, correction, tmpdir)
+                else:
+                    raise ValueError(
+                        f'MGXS generation method "{method}" not recognized')
             else:
-                raise ValueError(
-                    f'MGXS generation method "{method}" not recognized')
-        else:
-            print(f'Existing MGXS library file "{mgxs_path}" will be used')
+                print(f'Existing MGXS library file "{mgxs_path}" will be used')
 
-        # Convert all continuous energy materials to multigroup
-        self.materials.cross_sections = mgxs_path
-        for material in self.materials:
-            material.set_density('macro', 1.0)
-            material._nuclides = []
-            material._sab = []
-            material.add_macroscopic(material.name)
+            # Convert all continuous energy materials to multigroup
+            self.materials.cross_sections = mgxs_path
+            for material in self.materials:
+                material.set_density('macro', 1.0)
+                material._nuclides = []
+                material._sab = []
+                material.add_macroscopic(material.name)
 
-        self.settings.energy_mode = 'multi-group'
+            self.settings.energy_mode = 'multi-group'
 
     def convert_to_random_ray(self):
         """Convert a multigroup model to use random ray.
diff --git a/src/random_ray/random_ray.cpp b/src/random_ray/random_ray.cpp
index 9a9d1394a..532840f1f 100644
--- a/src/random_ray/random_ray.cpp
+++ b/src/random_ray/random_ray.cpp
@@ -277,7 +277,7 @@ void RandomRay::event_advance_ray()
   boundary() = distance_to_boundary(*this);
   double distance = boundary().distance;
 
-  if (distance <= 0.0) {
+  if (distance < 0.0) {
     mark_as_lost("Negative transport distance detected for particle " +
                  std::to_string(id()));
     return;
diff --git a/src/random_ray/random_ray_simulation.cpp b/src/random_ray/random_ray_simulation.cpp
index b831efcd9..40a08c3af 100644
--- a/src/random_ray/random_ray_simulation.cpp
+++ b/src/random_ray/random_ray_simulation.cpp
@@ -196,8 +196,8 @@ void validate_random_ray_inputs()
                   "supported in random ray mode.");
     }
     if (material.get_xsdata().size() > 1) {
-      fatal_error("Non-isothermal MGXS detected. Only isothermal XS data sets "
-                  "supported in random ray mode.");
+      warning("Non-isothermal MGXS detected. Only isothermal XS data sets "
+              "supported in random ray mode. Using lowest temperature.");
     }
     for (int g = 0; g < data::mg.num_energy_groups_; g++) {
       if (material.exists_in_model) {

From 5dd6ff6527b073aa214806e01f82f24447593fec Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Tue, 22 Apr 2025 23:00:44 -0500
Subject: [PATCH 2291/2654] Fix negative distances from bins_crossed for
 CylindricalMesh (#3370)

---
 include/openmc/mesh.h                         |  5 ---
 src/mesh.cpp                                  | 37 +++++++++----------
 .../filter_mesh/inputs_true.dat               |  4 +-
 tests/regression_tests/filter_mesh/test.py    |  3 +-
 tests/unit_tests/test_cylindrical_mesh.py     | 11 ++++--
 tests/unit_tests/test_spherical_mesh.py       |  2 -
 6 files changed, 29 insertions(+), 33 deletions(-)

diff --git a/include/openmc/mesh.h b/include/openmc/mesh.h
index 8faf45f1b..5a727c2b6 100644
--- a/include/openmc/mesh.h
+++ b/include/openmc/mesh.h
@@ -138,9 +138,6 @@ public:
   //! Perform any preparation needed to support point location within the mesh
   virtual void prepare_for_point_location() {};
 
-  //! Update a position to the local coordinates of the mesh
-  virtual void local_coords(Position& r) const {};
-
   //! Return a position in the local coordinates of the mesh
   virtual Position local_coords(const Position& r) const { return r; };
 
@@ -427,8 +424,6 @@ public:
   PeriodicStructuredMesh() = default;
   PeriodicStructuredMesh(pugi::xml_node node) : StructuredMesh {node} {};
 
-  void local_coords(Position& r) const override { r -= origin_; };
-
   Position local_coords(const Position& r) const override
   {
     return r - origin_;
diff --git a/src/mesh.cpp b/src/mesh.cpp
index 101da7468..8280177ac 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -915,6 +915,11 @@ void StructuredMesh::raytrace_mesh(
   if (total_distance == 0.0 && settings::solver_type != SolverType::RANDOM_RAY)
     return;
 
+  // keep a copy of the original global position to pass to get_indices,
+  // which performs its own transformation to local coordinates
+  Position global_r = r0;
+  Position local_r = local_coords(r0);
+
   const int n = n_dimension_;
 
   // Flag if position is inside the mesh
@@ -925,7 +930,7 @@ void StructuredMesh::raytrace_mesh(
 
   // Calculate index of current cell. Offset the position a tiny bit in
   // direction of flight
-  MeshIndex ijk = get_indices(r0 + TINY_BIT * u, in_mesh);
+  MeshIndex ijk = get_indices(global_r + TINY_BIT * u, in_mesh);
 
   // if track is very short, assume that it is completely inside one cell.
   // Only the current cell will score and no surfaces
@@ -936,16 +941,10 @@ void StructuredMesh::raytrace_mesh(
     return;
   }
 
-  // translate start and end positions,
-  // this needs to come after the get_indices call because it does its own
-  // translation
-  local_coords(r0);
-  local_coords(r1);
-
   // Calculate initial distances to next surfaces in all three dimensions
   std::array<MeshDistance, 3> distances;
   for (int k = 0; k < n; ++k) {
-    distances[k] = distance_to_grid_boundary(ijk, k, r0, u, 0.0);
+    distances[k] = distance_to_grid_boundary(ijk, k, local_r, u, 0.0);
   }
 
   // Loop until r = r1 is eventually reached
@@ -975,7 +974,7 @@ void StructuredMesh::raytrace_mesh(
       // The two other directions are still valid!
       ijk[k] = distances[k].next_index;
       distances[k] =
-        distance_to_grid_boundary(ijk, k, r0, u, traveled_distance);
+        distance_to_grid_boundary(ijk, k, local_r, u, traveled_distance);
 
       // Check if we have left the interior of the mesh
       in_mesh = ((ijk[k] >= 1) && (ijk[k] <= shape_[k]));
@@ -1005,10 +1004,10 @@ void StructuredMesh::raytrace_mesh(
 
       // Calculate the new cell index and update all distances to next
       // surfaces.
-      ijk = get_indices(r0 + (traveled_distance + TINY_BIT) * u, in_mesh);
+      ijk = get_indices(global_r + (traveled_distance + TINY_BIT) * u, in_mesh);
       for (int k = 0; k < n; ++k) {
         distances[k] =
-          distance_to_grid_boundary(ijk, k, r0, u, traveled_distance);
+          distance_to_grid_boundary(ijk, k, local_r, u, traveled_distance);
       }
 
       // If inside the mesh, Tally inward current
@@ -1482,7 +1481,7 @@ std::string CylindricalMesh::get_mesh_type() const
 StructuredMesh::MeshIndex CylindricalMesh::get_indices(
   Position r, bool& in_mesh) const
 {
-  local_coords(r);
+  r = local_coords(r);
 
   Position mapped_r;
   mapped_r[0] = std::hypot(r.x, r.y);
@@ -1630,23 +1629,21 @@ StructuredMesh::MeshDistance CylindricalMesh::distance_to_grid_boundary(
   const MeshIndex& ijk, int i, const Position& r0, const Direction& u,
   double l) const
 {
-  Position r = r0 - origin_;
-
   if (i == 0) {
 
     return std::min(
-      MeshDistance(ijk[i] + 1, true, find_r_crossing(r, u, l, ijk[i])),
-      MeshDistance(ijk[i] - 1, false, find_r_crossing(r, u, l, ijk[i] - 1)));
+      MeshDistance(ijk[i] + 1, true, find_r_crossing(r0, u, l, ijk[i])),
+      MeshDistance(ijk[i] - 1, false, find_r_crossing(r0, u, l, ijk[i] - 1)));
 
   } else if (i == 1) {
 
     return std::min(MeshDistance(sanitize_phi(ijk[i] + 1), true,
-                      find_phi_crossing(r, u, l, ijk[i])),
+                      find_phi_crossing(r0, u, l, ijk[i])),
       MeshDistance(sanitize_phi(ijk[i] - 1), false,
-        find_phi_crossing(r, u, l, ijk[i] - 1)));
+        find_phi_crossing(r0, u, l, ijk[i] - 1)));
 
   } else {
-    return find_z_crossing(r, u, l, ijk[i]);
+    return find_z_crossing(r0, u, l, ijk[i]);
   }
 }
 
@@ -1762,7 +1759,7 @@ std::string SphericalMesh::get_mesh_type() const
 StructuredMesh::MeshIndex SphericalMesh::get_indices(
   Position r, bool& in_mesh) const
 {
-  local_coords(r);
+  r = local_coords(r);
 
   Position mapped_r;
   mapped_r[0] = r.norm();
diff --git a/tests/regression_tests/filter_mesh/inputs_true.dat b/tests/regression_tests/filter_mesh/inputs_true.dat
index 0667c0341..4995749bb 100644
--- a/tests/regression_tests/filter_mesh/inputs_true.dat
+++ b/tests/regression_tests/filter_mesh/inputs_true.dat
@@ -54,8 +54,8 @@
     <mesh id="5" type="cylindrical">
       <r_grid>0.0 0.4411764705882353 0.8823529411764706 1.3235294117647058 1.7647058823529411 2.2058823529411766 2.6470588235294117 3.0882352941176467 3.5294117647058822 3.9705882352941178 4.411764705882353 4.852941176470588 5.294117647058823 5.735294117647059 6.1764705882352935 6.617647058823529 7.0588235294117645 7.5</r_grid>
       <phi_grid>0.0 0.3490658503988659 0.6981317007977318 1.0471975511965976 1.3962634015954636 1.7453292519943295 2.0943951023931953 2.443460952792061 2.792526803190927 3.141592653589793 3.490658503988659 3.839724354387525 4.1887902047863905 4.537856055185257 4.886921905584122 5.235987755982989 5.585053606381854 5.93411945678072 6.283185307179586</phi_grid>
-      <z_grid>-7.5 -6.5625 -5.625 -4.6875 -3.75 -2.8125 -1.875 -0.9375 0.0 0.9375 1.875 2.8125 3.75 4.6875 5.625 6.5625 7.5</z_grid>
-      <origin>0.0 0.0 0.0</origin>
+      <z_grid>0.0 0.9375 1.875 2.8125 3.75 4.6875 5.625 6.5625 7.5 8.4375 9.375 10.3125 11.25 12.1875 13.125 14.0625 15.0</z_grid>
+      <origin>0.0 0.0 -7.5</origin>
     </mesh>
     <mesh id="6" type="spherical">
       <r_grid>0.0 0.4411764705882353 0.8823529411764706 1.3235294117647058 1.7647058823529411 2.2058823529411766 2.6470588235294117 3.0882352941176467 3.5294117647058822 3.9705882352941178 4.411764705882353 4.852941176470588 5.294117647058823 5.735294117647059 6.1764705882352935 6.617647058823529 7.0588235294117645 7.5</r_grid>
diff --git a/tests/regression_tests/filter_mesh/test.py b/tests/regression_tests/filter_mesh/test.py
index 6214e0486..165ba2a0c 100644
--- a/tests/regression_tests/filter_mesh/test.py
+++ b/tests/regression_tests/filter_mesh/test.py
@@ -61,9 +61,10 @@ def model():
     np.testing.assert_allclose(recti_mesh.volumes, recti_mesh_exp_vols)
 
     cyl_mesh = openmc.CylindricalMesh(
+        origin=(0, 0, -7.5),
         r_grid=np.linspace(0, 7.5, 18),
         phi_grid=np.linspace(0, 2*pi, 19),
-        z_grid=np.linspace(-7.5, 7.5, 17),
+        z_grid=np.linspace(0, 15, 17),
     )
     dr = 0.5 * np.diff(np.linspace(0, 7.5, 18)**2)
     dp = np.full(cyl_mesh.dimension[1], 2*pi / 18)
diff --git a/tests/unit_tests/test_cylindrical_mesh.py b/tests/unit_tests/test_cylindrical_mesh.py
index b408bc0e9..645269825 100644
--- a/tests/unit_tests/test_cylindrical_mesh.py
+++ b/tests/unit_tests/test_cylindrical_mesh.py
@@ -49,6 +49,7 @@ def model():
 
     return openmc.Model(geometry=geom, settings=settings, tallies=tallies)
 
+
 def test_origin_read_write_to_xml(run_in_tmpdir, model):
     """Tests that the origin attribute can be written and read back to XML
     """
@@ -63,8 +64,9 @@ def test_origin_read_write_to_xml(run_in_tmpdir, model):
     np.testing.assert_equal(new_mesh.origin, mesh.origin)
 
 estimators = ('tracklength', 'collision')
-origins = set(permutations((-geom_size, 0, 0)))
-origins |= set(permutations((geom_size, 0, 0)))
+offset = geom_size + 0.001
+origins = set(permutations((-offset , 0, 0)))
+origins |= set(permutations((offset, 0, 0)))
 
 test_cases = product(estimators, origins)
 
@@ -74,8 +76,9 @@ def label(p):
     if isinstance(p, str):
         return f'estimator:{p}'
 
+
 @pytest.mark.parametrize('estimator,origin', test_cases, ids=label)
-def test_offset_mesh(run_in_tmpdir, model, estimator, origin):
+def test_offset_mesh(model, estimator, origin):
     """Tests that the mesh has been moved based on tally results
     """
     mesh = model.tallies[0].filters[0].mesh
@@ -103,6 +106,7 @@ def test_offset_mesh(run_in_tmpdir, model, estimator, origin):
             else:
                 mean[i, j, k] != 0.0
 
+
 @pytest.fixture()
 def void_coincident_geom_model():
     """A model with many geometric boundaries coincident with mesh boundaries
@@ -155,6 +159,7 @@ def _check_void_cylindrical_tally(statepoint_filename):
         d_r = mesh.r_grid[1] - mesh.r_grid[0]
         assert neutron_flux == pytest.approx(d_r)
 
+
 def test_void_geom_pnt_src(run_in_tmpdir, void_coincident_geom_model):
     src = openmc.IndependentSource()
     src.space = openmc.stats.Point()
diff --git a/tests/unit_tests/test_spherical_mesh.py b/tests/unit_tests/test_spherical_mesh.py
index 0b579be35..a95a4151a 100644
--- a/tests/unit_tests/test_spherical_mesh.py
+++ b/tests/unit_tests/test_spherical_mesh.py
@@ -63,8 +63,6 @@ def test_origin_read_write_to_xml(run_in_tmpdir, model):
     np.testing.assert_equal(new_mesh.origin, mesh.origin)
 
 estimators = ('tracklength', 'collision')
-# TODO: determine why this is needed for spherical mesh
-# but not cylindrical mesh
 offset = geom_size + 0.001
 
 origins = set(permutations((-offset, 0, 0)))

From 820648daeee2d3323ce2125f7ad67c4e23a8cd2e Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Wed, 23 Apr 2025 08:44:46 +0200
Subject: [PATCH 2292/2654] using reduce chain level to remove need for reduce
 chain (#3377)

Co-authored-by: Jon Shimwell <jon@proximafusion.com>
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/deplete/coupled_operator.py     | 13 +++----------
 openmc/deplete/independent_operator.py | 20 ++++----------------
 openmc/deplete/openmc_operator.py      | 16 +++++++---------
 tests/unit_tests/test_model.py         |  4 ++--
 4 files changed, 16 insertions(+), 37 deletions(-)

diff --git a/openmc/deplete/coupled_operator.py b/openmc/deplete/coupled_operator.py
index 17af935f4..7ecfd5a08 100644
--- a/openmc/deplete/coupled_operator.py
+++ b/openmc/deplete/coupled_operator.py
@@ -154,15 +154,9 @@ class CoupledOperator(OpenMCOperator):
         options.
 
         .. versionadded:: 0.12.1
-    reduce_chain : bool, optional
-        If True, use :meth:`openmc.deplete.Chain.reduce` to reduce the
-        depletion chain up to ``reduce_chain_level``.
-
-        .. versionadded:: 0.12
     reduce_chain_level : int, optional
-        Depth of the search when reducing the depletion chain. Only used
-        if ``reduce_chain`` evaluates to true. The default value of
-        ``None`` implies no limit on the depth.
+        Depth of the search when reducing the depletion chain. The default
+        value of ``None`` implies no limit on the depth.
 
         .. versionadded:: 0.12
     diff_volume_method : str
@@ -214,7 +208,7 @@ class CoupledOperator(OpenMCOperator):
                  normalization_mode="fission-q", fission_q=None,
                  fission_yield_mode="constant", fission_yield_opts=None,
                  reaction_rate_mode="direct", reaction_rate_opts=None,
-                 reduce_chain=False, reduce_chain_level=None):
+                 reduce_chain_level=None):
 
         # check for old call to constructor
         if isinstance(model, openmc.Geometry):
@@ -270,7 +264,6 @@ class CoupledOperator(OpenMCOperator):
             diff_volume_method=diff_volume_method,
             fission_q=fission_q,
             helper_kwargs=helper_kwargs,
-            reduce_chain=reduce_chain,
             reduce_chain_level=reduce_chain_level)
 
     def _differentiate_burnable_mats(self):
diff --git a/openmc/deplete/independent_operator.py b/openmc/deplete/independent_operator.py
index 333ead0f8..b3fe9a78f 100644
--- a/openmc/deplete/independent_operator.py
+++ b/openmc/deplete/independent_operator.py
@@ -66,13 +66,9 @@ class IndependentOperator(OpenMCOperator):
         Dictionary of nuclides and their fission Q values [eV]. If not given,
         values will be pulled from the ``chain_file``. Only applicable if
         ``"normalization_mode" == "fission-q"``.
-    reduce_chain : bool, optional
-        If True, use :meth:`openmc.deplete.Chain.reduce` to reduce the depletion
-        chain up to ``reduce_chain_level``.
     reduce_chain_level : int, optional
-        Depth of the search when reducing the depletion chain. Only used if
-        ``reduce_chain`` evaluates to true. The default value of ``None``
-        implies no limit on the depth.
+        Depth of the search when reducing the depletion chain. The default
+        value of ``None`` implies no limit on the depth.
     fission_yield_opts : dict of str to option, optional
         Optional arguments to pass to the
         :class:`openmc.deplete.helpers.FissionYieldHelper` object. Will be
@@ -119,7 +115,6 @@ class IndependentOperator(OpenMCOperator):
                  normalization_mode='fission-q',
                  fission_q=None,
                  prev_results=None,
-                 reduce_chain=False,
                  reduce_chain_level=None,
                  fission_yield_opts=None):
         # Validate micro-xs parameters
@@ -157,7 +152,6 @@ class IndependentOperator(OpenMCOperator):
             prev_results=prev_results,
             fission_q=fission_q,
             helper_kwargs=helper_kwargs,
-            reduce_chain=reduce_chain,
             reduce_chain_level=reduce_chain_level)
 
     @classmethod
@@ -170,7 +164,6 @@ class IndependentOperator(OpenMCOperator):
                       normalization_mode='fission-q',
                       fission_q=None,
                       prev_results=None,
-                      reduce_chain=False,
                       reduce_chain_level=None,
                       fission_yield_opts=None):
         """
@@ -206,13 +199,9 @@ class IndependentOperator(OpenMCOperator):
             applicable if ``"normalization_mode" == "fission-q"``.
         prev_results : Results, optional
             Results from a previous depletion calculation.
-        reduce_chain : bool, optional
-            If True, use :meth:`openmc.deplete.Chain.reduce` to reduce the
-            depletion chain up to ``reduce_chain_level``. Default is False.
         reduce_chain_level : int, optional
-            Depth of the search when reducing the depletion chain. Only used
-            if ``reduce_chain`` evaluates to true. The default value of
-            ``None`` implies no limit on the depth.
+            Depth of the search when reducing the depletion chain. The default
+            value of ``None`` implies no limit on the depth.
         fission_yield_opts : dict of str to option, optional
             Optional arguments to pass to the
             :class:`openmc.deplete.helpers.FissionYieldHelper` class. Will be
@@ -232,7 +221,6 @@ class IndependentOperator(OpenMCOperator):
                    normalization_mode=normalization_mode,
                    fission_q=fission_q,
                    prev_results=prev_results,
-                   reduce_chain=reduce_chain,
                    reduce_chain_level=reduce_chain_level,
                    fission_yield_opts=fission_yield_opts)
 
diff --git a/openmc/deplete/openmc_operator.py b/openmc/deplete/openmc_operator.py
index 64cb0a7e5..4ef867372 100644
--- a/openmc/deplete/openmc_operator.py
+++ b/openmc/deplete/openmc_operator.py
@@ -11,7 +11,7 @@ from warnings import warn
 import numpy as np
 
 import openmc
-from openmc.checkvalue import check_value
+from openmc.checkvalue import check_value, check_type, check_greater_than
 from openmc.exceptions import DataError
 from openmc.mpi import comm
 from .abc import TransportOperator, OperatorResult
@@ -49,13 +49,9 @@ class OpenMCOperator(TransportOperator):
         Dictionary of nuclides and their fission Q values [eV].
     helper_kwargs : dict
         Keyword arguments for helper classes
-    reduce_chain : bool, optional
-        If True, use :meth:`openmc.deplete.Chain.reduce()` to reduce the
-        depletion chain up to ``reduce_chain_level``.
     reduce_chain_level : int, optional
-        Depth of the search when reducing the depletion chain. Only used
-        if ``reduce_chain`` evaluates to true. The default value of
-        ``None`` implies no limit on the depth.
+        Depth of the search when reducing the depletion chain. The default
+        value of ``None`` implies no limit on the depth.
 
     diff_volume_method : str
         Specifies how the volumes of the new materials should be found. Default
@@ -107,7 +103,6 @@ class OpenMCOperator(TransportOperator):
             diff_volume_method='divide equally',
             fission_q=None,
             helper_kwargs=None,
-            reduce_chain=False,
             reduce_chain_level=None):
 
         # If chain file was not specified, try to get it from global config
@@ -126,10 +121,13 @@ class OpenMCOperator(TransportOperator):
 
         check_value('diff volume method', diff_volume_method,
                     {'divide equally', 'match cell'})
+        if reduce_chain_level:
+            check_type('reduce_chain_level', reduce_chain_level, int)
+            check_greater_than('reduce_chain_level', reduce_chain_level, 0)
         self.diff_volume_method = diff_volume_method
 
         # Reduce the chain to only those nuclides present
-        if reduce_chain:
+        if reduce_chain_level is not None:
             init_nuclides = set()
             for material in self.materials:
                 if not material.depletable:
diff --git a/tests/unit_tests/test_model.py b/tests/unit_tests/test_model.py
index ee5d8895c..aa844e2f2 100644
--- a/tests/unit_tests/test_model.py
+++ b/tests/unit_tests/test_model.py
@@ -448,7 +448,7 @@ def test_deplete(run_in_tmpdir, pin_model_attributes, mpi_intracomm):
     # In this test we first run without pre-initializing the shared library
     # data and then compare. Then we repeat with the C API already initialized
     # and make sure we get the same answer
-    test_model.deplete([1e6], 'predictor', final_step=False,
+    test_model.deplete(timesteps=[1e6], method='predictor', final_step=False,
                        operator_kwargs=op_kwargs,
                        power=1., output=False)
     # Get the new Xe136 and U235 atom densities
@@ -482,7 +482,7 @@ def test_deplete(run_in_tmpdir, pin_model_attributes, mpi_intracomm):
 
     # Now we can re-run with the pre-initialized API
     test_model.init_lib(output=False, intracomm=mpi_intracomm)
-    test_model.deplete([1e6], 'predictor', final_step=False,
+    test_model.deplete(timesteps=[1e6], method='predictor', final_step=False,
                        operator_kwargs=op_kwargs,
                        power=1., output=False)
     # Get the new Xe136 and U235 atom densities

From c17908f24ccc9ae3ae47686cacd8faa78f879d9c Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 2 May 2025 18:38:10 -0500
Subject: [PATCH 2293/2654] Install MCPL using same build type as OpenMC in CI
 (#3388)

---
 CMakeLists.txt               | 7 +++++++
 cmake/OpenMCConfig.cmake.in  | 2 +-
 tools/ci/gha-install-mcpl.sh | 7 -------
 tools/ci/gha-install.sh      | 2 +-
 4 files changed, 9 insertions(+), 9 deletions(-)
 delete mode 100755 tools/ci/gha-install-mcpl.sh

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 8cb03a1a1..d79746209 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -194,6 +194,13 @@ endif()
 #===============================================================================
 
 if (OPENMC_USE_MCPL)
+  if (NOT DEFINED MCPL_DIR)
+    execute_process(
+      COMMAND mcpl-config --show cmakedir
+      OUTPUT_VARIABLE MCPL_DIR
+      OUTPUT_STRIP_TRAILING_WHITESPACE
+    )
+  endif()
   find_package(MCPL REQUIRED)
   message(STATUS "Found MCPL: ${MCPL_DIR} (found version \"${MCPL_VERSION}\")")
 endif()
diff --git a/cmake/OpenMCConfig.cmake.in b/cmake/OpenMCConfig.cmake.in
index 5cab4790a..7416013fb 100644
--- a/cmake/OpenMCConfig.cmake.in
+++ b/cmake/OpenMCConfig.cmake.in
@@ -30,7 +30,7 @@ if(@OPENMC_USE_OPENMP@)
 endif()
 
 if(@OPENMC_USE_MCPL@)
-  find_package(MCPL REQUIRED)
+  find_package(MCPL REQUIRED HINTS @MCPL_DIR@)
 endif()
 
 if(@OPENMC_USE_UWUW@ AND NOT ${DAGMC_BUILD_UWUW})
diff --git a/tools/ci/gha-install-mcpl.sh b/tools/ci/gha-install-mcpl.sh
deleted file mode 100755
index 9b8609398..000000000
--- a/tools/ci/gha-install-mcpl.sh
+++ /dev/null
@@ -1,7 +0,0 @@
-#!/bin/bash
-set -ex
-cd $HOME
-git clone https://github.com/mctools/mcpl
-cd mcpl
-mkdir build && cd build
-cmake .. && make 2>/dev/null && sudo make install
diff --git a/tools/ci/gha-install.sh b/tools/ci/gha-install.sh
index d8a3a7600..74c3947f1 100755
--- a/tools/ci/gha-install.sh
+++ b/tools/ci/gha-install.sh
@@ -29,7 +29,7 @@ if [[ $LIBMESH = 'y' ]]; then
 fi
 
 # Install MCPL
-./tools/ci/gha-install-mcpl.sh
+pip install mcpl
 
 # For MPI configurations, make sure mpi4py and h5py are built against the
 # correct version of MPI

From 4138bc34e08777d2a0c7c91748c00aacf048e136 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 2 May 2025 19:07:43 -0500
Subject: [PATCH 2294/2654] Add option to determine waste disposal rating by
 nuclide (#3376)

---
 openmc/material.py                            | 22 ++++++++++------
 openmc/waste.py                               | 25 ++++++++++++-------
 tests/unit_tests/test_waste_classification.py |  4 +++
 3 files changed, 35 insertions(+), 16 deletions(-)

diff --git a/openmc/material.py b/openmc/material.py
index 9677fbba3..770722f74 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -1348,10 +1348,11 @@ class Material(IDManagerMixin):
         return waste._waste_classification(self, metal=metal)
 
     def waste_disposal_rating(
-            self,
-            limits: str | dict[str, float] = 'Fetter',
-            metal: bool = False,
-        ) -> float:
+        self,
+        limits: str | dict[str, float] = 'Fetter',
+        metal: bool = False,
+        by_nuclide: bool = False,
+    ) -> float | dict[str, float]:
         """Return the waste disposal rating for the material.
 
         This method returns a waste disposal rating for the material based on a
@@ -1387,18 +1388,25 @@ class Material(IDManagerMixin):
         metal : bool, optional
             Whether or not the material is in metal form (only applicable for
             NRC based limits)
+        by_nuclide : bool, optional
+            Whether to return the waste disposal rating for each nuclide in the
+            material. If True, a dictionary is returned where the keys are the
+            nuclide names and the values are the waste disposal ratings for each
+            nuclide. If False, a single float value is returned that represents
+            the overall waste disposal rating for the material.
 
         Returns
         -------
-        float
-            The waste disposal rating for the material.
+        float or dict
+            The waste disposal rating for the material or its constituent
+            nuclides.
 
         See also
         --------
         Material.waste_classification()
 
         """
-        return waste._waste_disposal_rating(self, limits, metal)
+        return waste._waste_disposal_rating(self, limits, metal, by_nuclide)
 
     def clone(self, memo: dict | None = None) -> Material:
         """Create a copy of this material with a new unique ID.
diff --git a/openmc/waste.py b/openmc/waste.py
index 7dd45b8e3..80cfc0adc 100644
--- a/openmc/waste.py
+++ b/openmc/waste.py
@@ -77,10 +77,11 @@ def _waste_classification(mat: openmc.Material, metal: bool = True) -> str:
 
 
 def _waste_disposal_rating(
-        mat: openmc.Material,
-        limits: str | dict[str, float] = 'Fetter',
-        metal: bool = False,
-    ) -> float:
+    mat: openmc.Material,
+    limits: str | dict[str, float] = 'Fetter',
+    metal: bool = False,
+    by_nuclide: bool = False,
+) -> float | dict[str, float]:
     """Return the waste disposal rating for a material.
 
     This method returns a waste disposal rating for the material based on a set
@@ -111,11 +112,17 @@ def _waste_disposal_rating(
     metal : bool, optional
         Whether or not the material is in metal form (only applicable for NRC
         based limits)
+    by_nuclide : bool, optional
+        Whether to return the waste disposal rating for each nuclide in the
+        material. If True, a dictionary is returned where the keys are the
+        nuclide names and the values are the waste disposal ratings for each
+        nuclide. If False, a single float value is returned that represents the
+        overall waste disposal rating for the material.
 
     Returns
     -------
-    float
-        The waste disposal rating for the material.
+    float or dict
+        The waste disposal rating for the material or its constituent nuclides.
 
     """
     if limits == 'Fetter':
@@ -272,8 +279,8 @@ def _waste_disposal_rating(
 
     # Calculate the sum of the fractions of the activity of each radionuclide
     # compared to the specified limits
-    ratio = 0.0
+    ratio = {}
     for nuc, ci_m3 in mat.get_activity(units="Ci/m3", by_nuclide=True).items():
         if nuc in limits:
-            ratio += ci_m3 / limits[nuc]
-    return ratio
+            ratio[nuc] = ci_m3 / limits[nuc]
+    return ratio if by_nuclide else sum(ratio.values())
diff --git a/tests/unit_tests/test_waste_classification.py b/tests/unit_tests/test_waste_classification.py
index dd692cc4b..072590df9 100644
--- a/tests/unit_tests/test_waste_classification.py
+++ b/tests/unit_tests/test_waste_classification.py
@@ -96,3 +96,7 @@ def test_waste_disposal_rating():
     ci_m3 = mat.get_activity('Ci/m3')
     assert mat.waste_disposal_rating(limits={'K40': 2*ci_m3}) < 1.0
     assert mat.waste_disposal_rating(limits={'K40': 0.5*ci_m3}) > 1.0
+
+    wdr = mat.waste_disposal_rating(limits={'K40': 4*ci_m3}, by_nuclide=True)
+    assert isinstance(wdr, dict)
+    assert wdr['K40'] == pytest.approx(1/4)

From d0354dbd71531d9c6c88d2c613d571a270453e71 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Sat, 3 May 2025 06:38:23 +0200
Subject: [PATCH 2295/2654] corrected tally name in D1S example (#3383)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 docs/source/usersguide/decay_sources.rst | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/docs/source/usersguide/decay_sources.rst b/docs/source/usersguide/decay_sources.rst
index a228f8e66..d5a078135 100644
--- a/docs/source/usersguide/decay_sources.rst
+++ b/docs/source/usersguide/decay_sources.rst
@@ -88,5 +88,5 @@ relevant tallies. This can be done with the aid of the
         dose_tally = sp.get_tally(name='dose tally')
 
     # Apply time correction factors
-    tally = d1s.apply_time_correction(tally, factors, time_index)
+    tally = d1s.apply_time_correction(dose_tally, factors, time_index)
 

From a921280fa9c3f63eb10132ad37bacd612ab82157 Mon Sep 17 00:00:00 2001
From: Hunter Belanger <hunter.belanger@gmail.com>
Date: Sat, 3 May 2025 05:10:18 +0000
Subject: [PATCH 2296/2654] Fix extremely large yields from Bremsstrahlung
 (#3386)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 src/material.cpp | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/src/material.cpp b/src/material.cpp
index a1937aca4..2bd504e4d 100644
--- a/src/material.cpp
+++ b/src/material.cpp
@@ -640,7 +640,7 @@ void Material::init_bremsstrahlung()
     // Allocate arrays for TTB data
     ttb->pdf = xt::zeros<double>({n_e, n_e});
     ttb->cdf = xt::zeros<double>({n_e, n_e});
-    ttb->yield = xt::empty<double>({n_e});
+    ttb->yield = xt::zeros<double>({n_e});
 
     // Allocate temporary arrays
     xt::xtensor<double, 1> stopping_power_collision({n_e}, 0.0);

From 512df2f4ffb4ad529af2f69b614685ab1ad4d372 Mon Sep 17 00:00:00 2001
From: Amanda Lund <alund@anl.gov>
Date: Sat, 3 May 2025 00:46:14 -0500
Subject: [PATCH 2297/2654] Skip atomic relaxation if binding energy is larger
 than photon energy (#3391)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 src/photon.cpp                                |  5 +-
 .../results_true.dat                          | 58 +++++++++----------
 2 files changed, 32 insertions(+), 31 deletions(-)

diff --git a/src/photon.cpp b/src/photon.cpp
index 4b2fb4197..dae87ea4e 100644
--- a/src/photon.cpp
+++ b/src/photon.cpp
@@ -770,8 +770,9 @@ void PhotonInteraction::pair_production(double alpha, double* E_electron,
 
 void PhotonInteraction::atomic_relaxation(int i_shell, Particle& p) const
 {
-  // Return if no atomic relaxation data is present
-  if (!has_atomic_relaxation_)
+  // Return if no atomic relaxation data is present or if the binding energy is
+  // larger than the incident particle energy
+  if (!has_atomic_relaxation_ || shells_[i_shell].binding_energy > p.E())
     return;
 
   // Stack for unprocessed holes left by transitioning electrons
diff --git a/tests/regression_tests/photon_production_fission/results_true.dat b/tests/regression_tests/photon_production_fission/results_true.dat
index 1aa08b147..7e20342af 100644
--- a/tests/regression_tests/photon_production_fission/results_true.dat
+++ b/tests/regression_tests/photon_production_fission/results_true.dat
@@ -1,12 +1,12 @@
 k-combined:
-2.272421E+00 4.418825E-02
+2.270911E+00 4.568134E-02
 tally 1:
-2.665301E+00
-2.369839E+00
+2.663476E+00
+2.366726E+00
 0.000000E+00
 0.000000E+00
-2.665301E+00
-2.369839E+00
+2.663476E+00
+2.366726E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -18,52 +18,52 @@ tally 1:
 0.000000E+00
 0.000000E+00
 tally 2:
-2.637532E+00
-2.320051E+00
-4.231377E+08
-5.971498E+16
+2.636709E+00
+2.318646E+00
+4.230052E+08
+5.967879E+16
 0.000000E+00
 0.000000E+00
-2.637532E+00
-2.320051E+00
-4.231377E+08
-5.971498E+16
+2.636709E+00
+2.318646E+00
+4.230052E+08
+5.967879E+16
 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-2.448745E+06
-2.005297E+12
+2.455009E+06
+2.015314E+12
 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-2.448745E+06
-2.005297E+12
+2.455009E+06
+2.015314E+12
 0.000000E+00
 0.000000E+00
 tally 3:
-2.660000E+00
-2.358558E+00
-4.231377E+08
-5.971498E+16
+2.660004E+00
+2.358564E+00
+4.230052E+08
+5.967879E+16
 0.000000E+00
 0.000000E+00
-2.660000E+00
-2.358558E+00
-4.231377E+08
-5.971498E+16
+2.660004E+00
+2.358564E+00
+4.230052E+08
+5.967879E+16
 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-2.448745E+06
-2.005297E+12
+2.455009E+06
+2.015314E+12
 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-2.448745E+06
-2.005297E+12
+2.455009E+06
+2.015314E+12
 0.000000E+00
 0.000000E+00

From 1e7d8324eefaa6b0995f16a40b99416fdf3cf179 Mon Sep 17 00:00:00 2001
From: Gregoire Biot <grego01@mit.edu>
Date: Sat, 3 May 2025 08:19:10 -0400
Subject: [PATCH 2298/2654] Figure of Merit implementation (#3363)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 docs/source/methods/tallies.rst  | 27 +++++++++++++++++++++++++++
 openmc/tallies.py                | 18 ++++++++++++++++++
 tests/unit_tests/test_tallies.py | 18 +++++++++++++++++-
 3 files changed, 62 insertions(+), 1 deletion(-)

diff --git a/docs/source/methods/tallies.rst b/docs/source/methods/tallies.rst
index 57e05d84f..79a63fbdd 100644
--- a/docs/source/methods/tallies.rst
+++ b/docs/source/methods/tallies.rst
@@ -387,6 +387,33 @@ of this is that the longer you run a simulation, the better you know your
 results. Therefore, by running a simulation long enough, it is possible to
 reduce the stochastic uncertainty to arbitrarily low levels.
 
+Figure of Merit
++++++++++++++++
+
+The figure of merit (FOM) is an indicator that accounts for both the statistical
+uncertainty and the execution time and represents how much information is
+obtained per unit time in the simulation. The FOM is defined as
+
+.. math::
+    :label: figure_of_merit
+
+    FOM = \frac{1}{r^2 t},
+
+where :math:`t` is the total execution time and :math:`r` is the relative error
+defined as
+
+.. math::
+    :label: relative_error
+
+    r = \frac{s_\bar{X}}{\bar{x}}.
+
+Based on this definition, one can see that a higher FOM is desirable. The FOM is
+useful as a comparative tool. For example, if a variance reduction technique is
+being applied to a simulation, the FOM with variance reduction can be compared
+to the FOM without variance reduction to ascertain whether the reduction in
+variance outweighs the potential increase in execution time (e.g., due to
+particle splitting).
+
 Confidence Intervals
 ++++++++++++++++++++
 
diff --git a/openmc/tallies.py b/openmc/tallies.py
index ebb313551..e990a95f7 100644
--- a/openmc/tallies.py
+++ b/openmc/tallies.py
@@ -95,6 +95,10 @@ class Tally(IDManagerMixin):
         An array containing the sample mean for each bin
     std_dev : numpy.ndarray
         An array containing the sample standard deviation for each bin
+    figure_of_merit : numpy.ndarray
+        An array containing the figure of merit for each bin
+
+        .. versionadded:: 0.15.3
     derived : bool
         Whether or not the tally is derived from one or more other tallies
     sparse : bool
@@ -127,6 +131,7 @@ class Tally(IDManagerMixin):
         self._sum_sq = None
         self._mean = None
         self._std_dev = None
+        self._simulation_time = None
         self._with_batch_statistics = False
         self._derived = False
         self._sparse = False
@@ -385,6 +390,9 @@ class Tally(IDManagerMixin):
                 self._sum = sps.lil_matrix(self._sum.flatten(), self._sum.shape)
                 self._sum_sq = sps.lil_matrix(self._sum_sq.flatten(), self._sum_sq.shape)
 
+            # Read simulation time (needed for figure of merit)
+            self._simulation_time = f["runtime"]["simulation"][()]
+
         # Indicate that Tally results have been read
         self._results_read = True
 
@@ -462,6 +470,16 @@ class Tally(IDManagerMixin):
         else:
             return self._std_dev
 
+    @property
+    def figure_of_merit(self):
+        mean = self.mean
+        std_dev = self.std_dev
+        fom = np.zeros_like(mean)
+        nonzero = np.abs(mean) > 0
+        fom[nonzero] = 1.0 / (
+            (std_dev[nonzero] / mean[nonzero])**2 * self._simulation_time)
+        return fom
+
     @property
     def with_batch_statistics(self):
         return self._with_batch_statistics
diff --git a/tests/unit_tests/test_tallies.py b/tests/unit_tests/test_tallies.py
index ccc6ff343..c38f067d5 100644
--- a/tests/unit_tests/test_tallies.py
+++ b/tests/unit_tests/test_tallies.py
@@ -1,5 +1,5 @@
 import numpy as np
-
+import pytest
 import openmc
 
 
@@ -96,6 +96,22 @@ def test_tally_equivalence():
     assert tally_a == tally_b
 
 
+def test_figure_of_merit(sphere_model, run_in_tmpdir):
+    # Run model with a few simple tally scores
+    tally = openmc.Tally()
+    tally.scores = ['total', 'absorption', 'scatter']
+    sphere_model.tallies = [tally]
+    sp_path = sphere_model.run(apply_tally_results=True)
+
+    # Get execution time and relative error
+    with openmc.StatePoint(sp_path) as sp:
+        time = sp.runtime['simulation']
+    rel_err = tally.std_dev / tally.mean
+
+    # Check that figure of merit is calculated correctly
+    assert tally.figure_of_merit == pytest.approx(1 / (rel_err**2 * time))
+
+
 def test_tally_application(sphere_model, run_in_tmpdir):
     # Create a tally with most possible gizmos
     tally = openmc.Tally(name='test tally')

From 57dc71f5303a53fc74794384d2a211b1fab57810 Mon Sep 17 00:00:00 2001
From: Amanda Lund <alund@anl.gov>
Date: Mon, 5 May 2025 13:05:48 -0500
Subject: [PATCH 2299/2654] Map Compton subshell data to atomic relaxation data
 (#3392)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 include/openmc/photon.h                       |  6 ++-
 src/photon.cpp                                | 30 ++++++++---
 src/physics.cpp                               | 10 ++--
 .../photon_production/results_true.dat        | 52 +++++++++----------
 .../weightwindows/results_true.dat            |  2 +-
 5 files changed, 59 insertions(+), 41 deletions(-)

diff --git a/include/openmc/photon.h b/include/openmc/photon.h
index 1fee6c9f5..f6f28a4df 100644
--- a/include/openmc/photon.h
+++ b/include/openmc/photon.h
@@ -33,7 +33,6 @@ public:
 
   int index_subshell; //!< index in SUBSHELLS
   int threshold;
-  double n_electrons;
   double binding_energy;
   vector<Transition> transitions;
 };
@@ -90,6 +89,11 @@ public:
   xt::xtensor<double, 1> binding_energy_;
   xt::xtensor<double, 1> electron_pdf_;
 
+  // Map subshells from Compton profile data obtained from Biggs et al,
+  // "Hartree-Fock Compton profiles for the elements" to ENDF/B atomic
+  // relaxation data
+  xt::xtensor<int, 1> subshell_map_;
+
   // Stopping power data
   double I_; // mean excitation energy
   xt::xtensor<int, 1> n_electrons_;
diff --git a/src/photon.cpp b/src/photon.cpp
index dae87ea4e..4926e3eae 100644
--- a/src/photon.cpp
+++ b/src/photon.cpp
@@ -165,7 +165,6 @@ PhotonInteraction::PhotonInteraction(hid_t group)
     if (attribute_exists(tgroup, "binding_energy")) {
       has_atomic_relaxation_ = true;
       read_attribute(tgroup, "binding_energy", shell.binding_energy);
-      read_attribute(tgroup, "num_electrons", shell.n_electrons);
     }
 
     // Read subshell cross section
@@ -233,6 +232,28 @@ PhotonInteraction::PhotonInteraction(hid_t group)
   }
   close_group(rgroup);
 
+  // Map Compton subshell data to atomic relaxation data by finding the
+  // subshell with the equivalent binding energy
+  if (has_atomic_relaxation_) {
+    auto is_close = [](double a, double b) {
+      return std::abs(a - b) / a < FP_REL_PRECISION;
+    };
+    subshell_map_ = xt::full_like(binding_energy_, -1);
+    for (int i = 0; i < binding_energy_.size(); ++i) {
+      double E_b = binding_energy_[i];
+      if (i < n_shell && is_close(E_b, shells_[i].binding_energy)) {
+        subshell_map_[i] = i;
+      } else {
+        for (int j = 0; j < n_shell; ++j) {
+          if (is_close(E_b, shells_[j].binding_energy)) {
+            subshell_map_[i] = j;
+            break;
+          }
+        }
+      }
+    }
+  }
+
   // Create Compton profile CDF
   auto n_profile = data::compton_profile_pz.size();
   auto n_shell_compton = profile_pdf_.shape(0);
@@ -423,13 +444,6 @@ void PhotonInteraction::compton_scatter(double alpha, bool doppler,
         double E_out;
         this->compton_doppler(alpha, *mu, &E_out, i_shell, seed);
         *alpha_out = E_out / MASS_ELECTRON_EV;
-
-        // It's possible for the Compton profile data to have more shells than
-        // there are in the ENDF data. Make sure the shell index doesn't end up
-        // out of bounds.
-        if (*i_shell >= shells_.size()) {
-          *i_shell = -1;
-        }
       } else {
         *i_shell = -1;
       }
diff --git a/src/physics.cpp b/src/physics.cpp
index a8e5b9e81..3c06e543d 100644
--- a/src/physics.cpp
+++ b/src/physics.cpp
@@ -340,11 +340,11 @@ void sample_photon_reaction(Particle& p)
       p.create_secondary(p.wgt(), u, E_electron, ParticleType::electron);
     }
 
-    // TODO: Compton subshell data does not match atomic relaxation data
-    // Allow electrons to fill orbital and produce auger electrons
-    // and fluorescent photons
-    if (i_shell >= 0) {
-      element.atomic_relaxation(i_shell, p);
+    // Allow electrons to fill orbital and produce Auger electrons and
+    // fluorescent photons. Since Compton subshell data does not match atomic
+    // relaxation data, use the mapping between the data to find the subshell
+    if (i_shell >= 0 && element.subshell_map_[i_shell] >= 0) {
+      element.atomic_relaxation(element.subshell_map_[i_shell], p);
     }
 
     phi += PI;
diff --git a/tests/regression_tests/photon_production/results_true.dat b/tests/regression_tests/photon_production/results_true.dat
index 398deeed8..a911fed3b 100644
--- a/tests/regression_tests/photon_production/results_true.dat
+++ b/tests/regression_tests/photon_production/results_true.dat
@@ -1,8 +1,8 @@
 tally 1:
 8.610000E-01
 7.413210E-01
-9.493000E-01
-9.011705E-01
+9.491000E-01
+9.007908E-01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -16,12 +16,12 @@ tally 2:
 1.573004E+00
 4.296434E-04
 1.845934E-07
-2.337049E-01
-5.461796E-02
+2.350021E-01
+5.522600E-02
 0.000000E+00
 0.000000E+00
-2.337049E-01
-5.461796E-02
+2.350021E-01
+5.522600E-02
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -53,16 +53,16 @@ tally 3:
 4.104374E+12
 4.296582E-04
 1.846062E-07
-2.286000E-01
-5.225796E-02
-7.054033E+03
-4.975938E+07
+2.297000E-01
+5.276209E-02
+7.055982E+03
+4.978688E+07
 0.000000E+00
 0.000000E+00
-2.286000E-01
-5.225796E-02
-7.054033E+03
-4.975938E+07
+2.297000E-01
+5.276209E-02
+7.055982E+03
+4.978688E+07
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -73,8 +73,8 @@ tally 3:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-1.764573E+05
-3.113718E+10
+1.774451E+05
+3.148675E+10
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -102,16 +102,16 @@ tally 4:
 4.104374E+12
 0.000000E+00
 0.000000E+00
-2.286000E-01
-5.225796E-02
-7.054033E+03
-4.975938E+07
+2.297000E-01
+5.276209E-02
+7.055982E+03
+4.978688E+07
 0.000000E+00
 0.000000E+00
-2.286000E-01
-5.225796E-02
-7.054033E+03
-4.975938E+07
+2.297000E-01
+5.276209E-02
+7.055982E+03
+4.978688E+07
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -122,8 +122,8 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-1.764573E+05
-3.113718E+10
+1.774451E+05
+3.148675E+10
 0.000000E+00
 0.000000E+00
 0.000000E+00
diff --git a/tests/regression_tests/weightwindows/results_true.dat b/tests/regression_tests/weightwindows/results_true.dat
index 6c05af31a..6bb992cd4 100644
--- a/tests/regression_tests/weightwindows/results_true.dat
+++ b/tests/regression_tests/weightwindows/results_true.dat
@@ -1 +1 @@
-ebc761815175b25fc95a226174928c226a3ab5dbf3b2a2abf09e079a0b87dee1dee74aa9b9eaec35acd58b8c481d264be7e9b3f052905bcc14ccd76f36b01549
\ No newline at end of file
+952c20fefac374d3b9fd28627fda7d5ae262f8cd7c01a33f0381526204a2287c18e56259a599dc6fdc1b59a2d2866fdfeedea371154c8fa7a69dc5c445b08c2d
\ No newline at end of file

From 9942269a910cf2f02bd028656be9f3744e1bc7dd Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Mon, 5 May 2025 12:55:14 -0600
Subject: [PATCH 2300/2654] Updates to VTK data checks (#3371)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 docs/source/_images/sphere-mesh-vtk.png       | Bin 0 -> 73644 bytes
 docs/source/pythonapi/base.rst                |  19 ++-
 docs/source/usersguide/processing.rst         |  79 +++++++++++
 openmc/mesh.py                                | 124 +++++++++++++-----
 tests/unit_tests/mesh_to_vtk/test.py          |   6 +-
 tests/unit_tests/mesh_to_vtk/test_vtk_dims.py |   2 +-
 tests/unit_tests/test_mesh.py                 |   3 +
 7 files changed, 195 insertions(+), 38 deletions(-)
 create mode 100644 docs/source/_images/sphere-mesh-vtk.png

diff --git a/docs/source/_images/sphere-mesh-vtk.png b/docs/source/_images/sphere-mesh-vtk.png
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literal 0
HcmV?d00001

diff --git a/docs/source/pythonapi/base.rst b/docs/source/pythonapi/base.rst
index e5b5b17c3..f3eb7ce83 100644
--- a/docs/source/pythonapi/base.rst
+++ b/docs/source/pythonapi/base.rst
@@ -147,17 +147,26 @@ Constructing Tallies
    openmc.ZernikeRadialFilter
    openmc.ParentNuclideFilter
    openmc.ParticleFilter
-   openmc.RegularMesh
-   openmc.RectilinearMesh
-   openmc.CylindricalMesh
-   openmc.SphericalMesh
-   openmc.UnstructuredMesh
    openmc.MeshMaterialVolumes
    openmc.Trigger
    openmc.TallyDerivative
    openmc.Tally
    openmc.Tallies
 
+Meshes
+------
+
+.. autosummary::
+   :toctree: generated
+   :nosignatures:
+   :template: myclassinherit.rst
+
+   openmc.RegularMesh
+   openmc.RectilinearMesh
+   openmc.CylindricalMesh
+   openmc.SphericalMesh
+   openmc.UnstructuredMesh
+
 Geometry Plotting
 -----------------
 
diff --git a/docs/source/usersguide/processing.rst b/docs/source/usersguide/processing.rst
index 10944b5e2..8b5ae53fa 100644
--- a/docs/source/usersguide/processing.rst
+++ b/docs/source/usersguide/processing.rst
@@ -91,3 +91,82 @@ from a statepoint file, the ``openmc.statepoint`` module can be used. An
 `example notebook`_ demontrates how to analyze and plot source information.
 
 .. _example notebook: https://nbviewer.jupyter.org/github/openmc-dev/openmc-notebooks/blob/main/post-processing.ipynb
+
+------------------------
+VTK Mesh File Generation
+------------------------
+
+VTK files of OpenMC meshes can be created using the
+:meth:`openmc.Mesh.write_data_to_vtk`  method. Data can be applied to the
+elements of the resulting mesh from mesh filter objects. This data can be
+provided either as a flat array or, in the case of structured meshes
+(:class:`~openmc.RegularMesh`, :class:`~openmc.RectilinearMesh`,
+:class:`~openmc.CylindricalMesh`, or :class:`SphericalMesh`), the data can be
+shaped with dimensions that match the dimensions of the mesh itself.
+
+
+.. image:: ../_images/sphere-mesh-vtk.png
+   :width: 400px
+   :align: center
+   :alt: OpenMC spherical mesh exported to VTK
+
+
+For all mesh types, if a flat data array is provided to the mesh, it is expected
+that the data is ordered in the same ordering as the :attr:`openmc.Mesh.indices`
+for that mesh object. When providing data directly from a tally, as shown below,
+a flat array for a given dataset can be passed directly to this method.
+
+::
+
+    # create model above
+
+    # create a mesh tally
+    mesh = openmc.RegularMesh()
+    mesh.dimension = [10, 20, 30]
+    mesh.lower_left = [-5, -10, -15]
+    mesh.upper_right = [5, 10, 15]
+    mesh_filter = openmc.MeshFilter(mesh)
+    tally = openmc.Tally()
+    tally.filters = [mesh_filter]
+    tally.scores = ['flux']
+
+    model.tallies = [tally]
+    model.run(apply_tally_results=True)
+
+    # provide the data as-is to the method
+    mesh.write_data_to_vtk('flux.vtk', {'flux-mean': tally.mean})
+
+The :class:`~openmc.Tally` object also provides a way to expand the dimensions
+of the mesh filter into a meaningful form where indexing the mesh filter
+dimensions results in intuitive slicing of structured meshes by setting
+``expand_dims=True`` when using :meth:`openmc.Tally.get_reshaped_data`. This
+reshaping does cause flat indexing of the data to change, however. As noted
+above, provided datasets are allowed to be shaped so long as such datasets have
+shapes that match the mesh dimensions. The ability to pass datasets in this way
+is useful when additional filters are applied to a tally. The example below
+demonstrates such a case for tally with both a :class:`~openmc.MeshFilter` and
+:class:`~openmc.EnergyFilter` applied.
+
+::
+
+    # create model above
+
+    # create a mesh tally with energy filter
+    mesh = openmc.RegularMesh()
+    mesh.dimension = [10, 20, 30]
+    mesh.lower_left = [-5, -10, -15]
+    mesh.upper_right = [5, 10, 15]
+    mesh_filter = openmc.MeshFilter(mesh)
+    energy_filter = openmc.EnergyFilter([0.0, 1.0, 20.0e6])
+    tally = openmc.Tally()
+    tally.filters = [mesh_filter, energy_filter]
+    tally.scores = ['flux']
+
+    model.tallies = [tally]
+    model.run(apply_tally_results=True)
+
+    # get the data with mesh dimensions expanded, squeeze out length-one dimensions (nuclides, scores)
+    flux = tally.get_reshaped_data(expand_dims=True).squeeze() # shape: (10, 20, 30, 2)
+
+    # write the lowest energy group to a VTK file
+    mesh.write_data_to_vtk('flux-group1.vtk', datasets={'flux-mean': flux[..., 0]})
diff --git a/openmc/mesh.py b/openmc/mesh.py
index 08025f374..27187b5dd 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -576,11 +576,16 @@ class StructuredMesh(MeshBase):
         filename : str
             Name of the VTK file to write.
         datasets : dict
-            Dictionary whose keys are the data labels
-            and values are the data sets.
+            Dictionary whose keys are the data labels and values are the data
+            sets. 1D datasets are expected to be extracted directly from
+            statepoint data without reordering/reshaping. Multidimensional
+            datasets are expected to have the same dimensions as the mesh itself
+            with structured indexing in "C" ordering. See the "expand_dims" flag
+            of :meth:`~openmc.Tally.get_reshaped_data` on reshaping tally data when using
+            :class:`~openmc.MeshFilter`'s.
         volume_normalization : bool, optional
-            Whether or not to normalize the data by
-            the volume of the mesh elements.
+            Whether or not to normalize the data by the volume of the mesh
+            elements.
         curvilinear : bool
             Whether or not to write curvilinear elements. Only applies to
             ``SphericalMesh`` and ``CylindricalMesh``.
@@ -594,14 +599,27 @@ class StructuredMesh(MeshBase):
         -------
         vtk.StructuredGrid or vtk.UnstructuredGrid
             a VTK grid object representing the mesh
+
+        Examples
+        --------
+        1D data from a tally with only a mesh filter and heating score:
+
+            # pass the tally mean property of shape (N, 1, 1) directly to this
+            # method; dimensions of size 1 will automatically removed
+            >>> heating = tally.mean
+            >>> mesh.write_data_to_vtk({'heating': heating})
+
+        Multidimensional data from a tally with only a mesh
+
+           # retrieve a data array with the mesh filter expanded into three
+           # dimensions, ijk; additional dimensions of size one will
+           # automatically be removed
+           >>> heating = tally.get_reshaped_data(expand_dims=True)
+           >>> mesh.write_data_to_vtk({'heating': heating})
         """
         import vtk
         from vtk.util import numpy_support as nps
 
-        # check that the data sets are appropriately sized
-        if datasets is not None:
-            self._check_vtk_datasets(datasets)
-
         # write linear elements using a structured grid
         if not curvilinear or isinstance(self, (RegularMesh, RectilinearMesh)):
             vtk_grid = self._create_vtk_structured_grid()
@@ -612,22 +630,27 @@ class StructuredMesh(MeshBase):
             writer = vtk.vtkUnstructuredGridWriter()
 
         if datasets is not None:
-            # maintain a list of the datasets as added
-            # to the VTK arrays to ensure they persist
-            # in memory until the file is written
+            # maintain a list of the datasets as added to the VTK arrays to
+            # ensure they persist in memory until the file is written
             datasets_out = []
             for label, dataset in datasets.items():
-                dataset = np.asarray(dataset).flatten()
+                dataset = self._reshape_vtk_dataset(dataset)
+                self._check_vtk_dataset(label, dataset)
+                # If the array data is 3D, assume is in C ordering and transpose
+                # before flattening to match the ordering expected by the VTK
+                # array based on the way mesh indices are ordered in the Python
+                # API
+                # TODO: update to "C" ordering throughout
+                if dataset.ndim == 3:
+                    dataset = dataset.T.ravel()
                 datasets_out.append(dataset)
 
                 if volume_normalization:
-                    dataset /= self.volumes.T.flatten()
+                    dataset /= self.volumes.T.ravel()
 
                 dataset_array = vtk.vtkDoubleArray()
                 dataset_array.SetName(label)
-                dataset_array.SetArray(nps.numpy_to_vtk(dataset),
-                                    dataset.size,
-                                    True)
+                dataset_array.SetArray(nps.numpy_to_vtk(dataset), dataset.size, True)
                 vtk_grid.GetCellData().AddArray(dataset_array)
 
         writer.SetFileName(str(filename))
@@ -754,28 +777,69 @@ class StructuredMesh(MeshBase):
 
         return vtk_grid
 
-    def _check_vtk_datasets(self, datasets: dict):
-        """Perform some basic checks that the datasets are valid for this mesh
+    @staticmethod
+    def _reshape_vtk_dataset(dataset):
+        """Reshape a dataset to be compatible with VTK output
+
+        This method performs the following operations on a dataset:
+        1. Convert to numpy array if not already
+        2. Remove any trailing dimensions of size 1
+        3. Squeeze out any extra dimensions of size 1 beyond the first 3
 
         Parameters
         ----------
-        datasets : dict
-            Dictionary whose keys are the data labels
-            and values are the data sets.
+        dataset : array-like
+            The dataset to reshape
+
+        Returns
+        -------
+        numpy.ndarray
+            The reshaped dataset
+        """
+        reshaped_data = np.asarray(dataset)
+
+        # detect flat array with extra dims
+        if all(d == 1 for d in reshaped_data.shape[1:]):
+            reshaped_data = reshaped_data.squeeze()
+
+        # remove any higher dimensions with size 1
+        if reshaped_data.ndim > 3 and all(d == 1 for d in reshaped_data.shape[3:]):
+            reshaped_data = reshaped_data.reshape(reshaped_data.shape[:3])
+
+        if np.shares_memory(reshaped_data, dataset):
+            return np.copy(reshaped_data)
+        else:
+            return reshaped_data
+
+    def _check_vtk_dataset(self, label: str, dataset: np.ndarray):
+        """Perform some basic checks that a dataset is valid for this Mesh
+
+        Parameters
+        ----------
+        label : str
+            The label for the dataset being checked
+        dataset : numpy.ndarray
+            The dataset array to check against this mesh's dimensions
 
         """
-        for label, dataset in datasets.items():
-            errmsg = (
+        cv.check_type('data label', label, str)
+
+        if dataset.size != self.num_mesh_cells:
+            raise ValueError(
                 f"The size of the dataset '{label}' ({dataset.size}) should be"
                 f" equal to the number of mesh cells ({self.num_mesh_cells})"
             )
-            if isinstance(dataset, np.ndarray):
-                if not dataset.size == self.num_mesh_cells:
-                    raise ValueError(errmsg)
-            else:
-                if len(dataset) == self.num_mesh_cells:
-                    raise ValueError(errmsg)
-            cv.check_type('data label', label, str)
+
+        # accept a flat array as-is, assuming it is in the correct order
+        if dataset.ndim == 1:
+            return
+
+        if dataset.shape != self.dimension:
+            raise ValueError(
+                f'Cannot apply multidimensional dataset "{label}" with '
+                f"shape {dataset.shape} to mesh {self.id} "
+                f"with dimensions {self.dimension}"
+            )
 
 
 class RegularMesh(StructuredMesh):
diff --git a/tests/unit_tests/mesh_to_vtk/test.py b/tests/unit_tests/mesh_to_vtk/test.py
index 3ee6c0298..f00aa4626 100644
--- a/tests/unit_tests/mesh_to_vtk/test.py
+++ b/tests/unit_tests/mesh_to_vtk/test.py
@@ -49,7 +49,10 @@ sphere_mesh = openmc.SphericalMesh(
 
 def mesh_data(mesh_dims):
     data = 100 * np.arange(np.prod(mesh_dims), dtype=float)
-    return data.reshape(*mesh_dims)
+    # data is returned reshaped with order 'F' to ensure that
+    # the resulting data is interpreted correctly by the
+    # write_data_to_vtk method
+    return data.reshape(*mesh_dims, order='F')
 
 test_data = ((reg_mesh, False, 'regular'),
              (rect_mesh, False, 'rectilinear'),
@@ -83,7 +86,6 @@ def test_mesh_write_vtk(mesh_params, run_in_tmpdir):
 
 # check data writing
 def test_mesh_write_vtk_data(run_in_tmpdir):
-
     data = {'ascending_data': mesh_data(cyl_mesh.dimension)}
     filename_expected = full_path('cyl-data.vtk')
     filename_actual = full_path('cyl-data-actual.vtk')
diff --git a/tests/unit_tests/mesh_to_vtk/test_vtk_dims.py b/tests/unit_tests/mesh_to_vtk/test_vtk_dims.py
index 0b6acf5aa..8166ba68c 100644
--- a/tests/unit_tests/mesh_to_vtk/test_vtk_dims.py
+++ b/tests/unit_tests/mesh_to_vtk/test_vtk_dims.py
@@ -90,7 +90,7 @@ def test_write_data_to_vtk(mesh, tmpdir):
     # kji (i changing fastest) orering is expected for input data
     # by using the volumes transposed as the data here, we can ensure the
     # normalization is happening correctly
-    data = mesh.volumes.T
+    data = mesh.volumes
 
     # RUN
     mesh.write_data_to_vtk(filename=filename, datasets={"label1": data, "label2": data})
diff --git a/tests/unit_tests/test_mesh.py b/tests/unit_tests/test_mesh.py
index f1f5e9f67..49556fce3 100644
--- a/tests/unit_tests/test_mesh.py
+++ b/tests/unit_tests/test_mesh.py
@@ -480,6 +480,9 @@ def test_umesh(run_in_tmpdir, simple_umesh, export_type):
     mean = np.array([arr.GetTuple1(i) for i in range(ref_data.size)])
     np.testing.assert_almost_equal(mean, ref_data)
 
+    # attempt to apply a dataset with an improper size to a VTK write
+    with pytest.raises(ValueError, match='Cannot apply dataset "mean"') as e:
+        simple_umesh.write_data_to_vtk(datasets={'mean': ref_data[:-2]}, filename=filename)
 
 def test_mesh_get_homogenized_materials():
     """Test the get_homogenized_materials method"""

From dc619eac17d45ae42361c973bd4e643b5bb31684 Mon Sep 17 00:00:00 2001
From: Gregoire Biot <grego01@mit.edu>
Date: Mon, 5 May 2025 16:33:12 -0400
Subject: [PATCH 2301/2654] Filter weight implementation (#3345)

Co-authored-by: Grego01-biot <grego01@pc-neutronic-06.psfc.mit.edu>
Co-authored-by: Patrick Shriwise <pshriwise@gmail.com>
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 CMakeLists.txt                         |  1 +
 docs/source/pythonapi/base.rst         |  1 +
 docs/source/pythonapi/capi.rst         |  1 +
 include/openmc/tallies/filter.h        |  1 +
 include/openmc/tallies/filter_weight.h | 51 +++++++++++++++++++++
 openmc/filter.py                       | 25 +++++++++-
 openmc/lib/filter.py                   |  4 ++
 src/hdf5_interface.cpp                 |  2 +-
 src/tallies/filter.cpp                 |  3 ++
 src/tallies/filter_weight.cpp          | 63 ++++++++++++++++++++++++++
 tests/unit_tests/test_filter_weight.py | 44 ++++++++++++++++++
 tests/unit_tests/test_filters.py       | 21 +++++++++
 12 files changed, 215 insertions(+), 2 deletions(-)
 create mode 100644 include/openmc/tallies/filter_weight.h
 create mode 100644 src/tallies/filter_weight.cpp
 create mode 100644 tests/unit_tests/test_filter_weight.py

diff --git a/CMakeLists.txt b/CMakeLists.txt
index d79746209..4dff35418 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -425,6 +425,7 @@ list(APPEND libopenmc_SOURCES
   src/tallies/filter_surface.cpp
   src/tallies/filter_time.cpp
   src/tallies/filter_universe.cpp
+  src/tallies/filter_weight.cpp
   src/tallies/filter_zernike.cpp
   src/tallies/tally.cpp
   src/tallies/tally_scoring.cpp
diff --git a/docs/source/pythonapi/base.rst b/docs/source/pythonapi/base.rst
index f3eb7ce83..1d8a93d47 100644
--- a/docs/source/pythonapi/base.rst
+++ b/docs/source/pythonapi/base.rst
@@ -143,6 +143,7 @@ Constructing Tallies
    openmc.SpatialLegendreFilter
    openmc.SphericalHarmonicsFilter
    openmc.TimeFilter
+   openmc.WeightFilter
    openmc.ZernikeFilter
    openmc.ZernikeRadialFilter
    openmc.ParentNuclideFilter
diff --git a/docs/source/pythonapi/capi.rst b/docs/source/pythonapi/capi.rst
index c8e0e874d..63fc5d11b 100644
--- a/docs/source/pythonapi/capi.rst
+++ b/docs/source/pythonapi/capi.rst
@@ -91,6 +91,7 @@ Classes
    Tally
    UniverseFilter
    UnstructuredMesh
+   WeightFilter
    WeightWindows
    ZernikeFilter
    ZernikeRadialFilter
diff --git a/include/openmc/tallies/filter.h b/include/openmc/tallies/filter.h
index 3e982d0cf..ee635b183 100644
--- a/include/openmc/tallies/filter.h
+++ b/include/openmc/tallies/filter.h
@@ -44,6 +44,7 @@ enum class FilterType {
   SURFACE,
   TIME,
   UNIVERSE,
+  WEIGHT,
   ZERNIKE,
   ZERNIKE_RADIAL
 };
diff --git a/include/openmc/tallies/filter_weight.h b/include/openmc/tallies/filter_weight.h
new file mode 100644
index 000000000..1fe9d75d3
--- /dev/null
+++ b/include/openmc/tallies/filter_weight.h
@@ -0,0 +1,51 @@
+#ifndef OPENMC_TALLIES_FILTER_WEIGHT_H
+#define OPENMC_TALLIES_FILTER_WEIGHT_H
+
+#include <string>
+
+#include "openmc/span.h"
+#include "openmc/tallies/filter.h"
+#include "openmc/vector.h"
+
+namespace openmc {
+
+//==============================================================================
+//! Bins the weights of the particles.
+//==============================================================================
+
+class WeightFilter : public Filter {
+public:
+  //----------------------------------------------------------------------------
+  // Constructors, destructors
+
+  ~WeightFilter() = default;
+
+  //----------------------------------------------------------------------------
+  // Methods
+
+  std::string type_str() const override { return "weight"; }
+  FilterType type() const override { return FilterType::WEIGHT; }
+
+  void from_xml(pugi::xml_node node) override;
+
+  void get_all_bins(const Particle& p, TallyEstimator estimator,
+    FilterMatch& match) const override;
+
+  void to_statepoint(hid_t filter_group) const override;
+
+  std::string text_label(int bin) const override;
+
+  //----------------------------------------------------------------------------
+  // Accessors
+
+  const vector<double>& bins() const { return bins_; }
+  void set_bins(span<const double> bins);
+
+protected:
+  //----------------------------------------------------------------------------
+  // Data members
+  vector<double> bins_;
+};
+
+} // namespace openmc
+#endif // OPENMC_TALLIES_FILTER_WEIGHT_H
diff --git a/openmc/filter.py b/openmc/filter.py
index 755777c5e..4d37f1055 100644
--- a/openmc/filter.py
+++ b/openmc/filter.py
@@ -25,7 +25,7 @@ _FILTER_TYPES = (
     'energyout', 'mu', 'musurface', 'polar', 'azimuthal', 'distribcell', 'delayedgroup',
     'energyfunction', 'cellfrom', 'materialfrom', 'legendre', 'spatiallegendre',
     'sphericalharmonics', 'zernike', 'zernikeradial', 'particle', 'cellinstance',
-    'collision', 'time', 'parentnuclide'
+    'collision', 'time', 'parentnuclide', 'weight'
 )
 
 _CURRENT_NAMES = (
@@ -2328,3 +2328,26 @@ class EnergyFunctionFilter(Filter):
             {self.short_name.lower(): filter_bins})])
 
         return df
+
+
+class WeightFilter(RealFilter):
+    """Bins tally events based on the incoming particle weight.
+
+    Parameters
+    ----------
+    Values : Iterable of float
+        A list or iterable of the weight boundaries, as float values.
+    filter_id : int
+        Unique identifier for the filter
+
+    Attributes
+    ----------
+    id : int
+        Unique identifier for the filter
+    bins : numpy.ndarray
+        An array of integer values representing the weights by which to filter
+    num_bins : int
+        The number of filter bins
+    values : numpy.ndarray
+        Array of weight boundaries
+    """
diff --git a/openmc/lib/filter.py b/openmc/lib/filter.py
index b6086c567..3a76b52a1 100644
--- a/openmc/lib/filter.py
+++ b/openmc/lib/filter.py
@@ -610,6 +610,10 @@ class UniverseFilter(Filter):
     filter_type = 'universe'
 
 
+class WeightFilter(Filter):
+    filter_type = 'weight'
+
+
 class ZernikeFilter(Filter):
     filter_type = 'zernike'
 
diff --git a/src/hdf5_interface.cpp b/src/hdf5_interface.cpp
index 27b750b93..e90aa7490 100644
--- a/src/hdf5_interface.cpp
+++ b/src/hdf5_interface.cpp
@@ -92,7 +92,7 @@ void get_shape_attr(hid_t obj_id, const char* name, hsize_t* dims)
   H5Aclose(attr);
 }
 
-hid_t create_group(hid_t parent_id, char const* name)
+hid_t create_group(hid_t parent_id, const char* name)
 {
   hid_t out = H5Gcreate(parent_id, name, H5P_DEFAULT, H5P_DEFAULT, H5P_DEFAULT);
   if (out < 0) {
diff --git a/src/tallies/filter.cpp b/src/tallies/filter.cpp
index 6430d9ae1..17e57a987 100644
--- a/src/tallies/filter.cpp
+++ b/src/tallies/filter.cpp
@@ -36,6 +36,7 @@
 #include "openmc/tallies/filter_surface.h"
 #include "openmc/tallies/filter_time.h"
 #include "openmc/tallies/filter_universe.h"
+#include "openmc/tallies/filter_weight.h"
 #include "openmc/tallies/filter_zernike.h"
 #include "openmc/xml_interface.h"
 
@@ -154,6 +155,8 @@ Filter* Filter::create(const std::string& type, int32_t id)
     return Filter::create<TimeFilter>(id);
   } else if (type == "universe") {
     return Filter::create<UniverseFilter>(id);
+  } else if (type == "weight") {
+    return Filter::create<WeightFilter>(id);
   } else if (type == "zernike") {
     return Filter::create<ZernikeFilter>(id);
   } else if (type == "zernikeradial") {
diff --git a/src/tallies/filter_weight.cpp b/src/tallies/filter_weight.cpp
new file mode 100644
index 000000000..31f4bd1bf
--- /dev/null
+++ b/src/tallies/filter_weight.cpp
@@ -0,0 +1,63 @@
+#include "openmc/tallies/filter_weight.h"
+
+#include <algorithm> // for is_sorted
+#include <stdexcept> // for runtime_error
+
+#include <fmt/core.h>
+
+#include "openmc/search.h"
+#include "openmc/xml_interface.h"
+
+namespace openmc {
+
+//==============================================================================
+// WeightFilter implementation
+//==============================================================================
+
+void WeightFilter::from_xml(pugi::xml_node node)
+{
+  auto bins = get_node_array<double>(node, "bins");
+  this->set_bins(bins);
+}
+
+void WeightFilter::set_bins(span<const double> bins)
+{
+  if (!std::is_sorted(bins.begin(), bins.end())) {
+    throw std::runtime_error {"Weight bins must be monotonically increasing."};
+  }
+
+  // Clear existing bins
+  bins_.clear();
+  bins_.reserve(bins.size());
+
+  // Copy bins
+  bins_.insert(bins_.end(), bins.begin(), bins.end());
+  n_bins_ = bins_.size() - 1;
+}
+
+void WeightFilter::get_all_bins(
+  const Particle& p, TallyEstimator estimator, FilterMatch& match) const
+{
+  // Get particle weight
+  double wgt = p.wgt_last();
+
+  // Bin the weight
+  if (wgt >= bins_.front() && wgt <= bins_.back()) {
+    auto bin = lower_bound_index(bins_.begin(), bins_.end(), wgt);
+    match.bins_.push_back(bin);
+    match.weights_.push_back(1.0);
+  }
+}
+
+void WeightFilter::to_statepoint(hid_t filter_group) const
+{
+  Filter::to_statepoint(filter_group);
+  write_dataset(filter_group, "bins", bins_);
+}
+
+std::string WeightFilter::text_label(int bin) const
+{
+  return fmt::format("Weight [{}, {}]", bins_[bin], bins_[bin + 1]);
+}
+
+} // namespace openmc
diff --git a/tests/unit_tests/test_filter_weight.py b/tests/unit_tests/test_filter_weight.py
new file mode 100644
index 000000000..878929ee0
--- /dev/null
+++ b/tests/unit_tests/test_filter_weight.py
@@ -0,0 +1,44 @@
+import openmc
+import numpy as np
+
+
+def test_weightfilter(run_in_tmpdir):
+    steel = openmc.Material(name='Stainless Steel')
+    steel.set_density('g/cm3', 8.00)
+    steel.add_nuclide('Fe56', 1.0)
+
+    sphere = openmc.Sphere(r=50.0, boundary_type='vacuum')
+    cell = openmc.Cell(region=-sphere, fill=steel)
+    model = openmc.Model()
+    model.geometry = openmc.Geometry([cell])
+    model.settings.particles = 100
+    model.settings.batches = 10
+
+    model.settings.source = openmc.IndependentSource(
+        energy=openmc.stats.delta_function(14e6),
+    )
+    model.settings.run_mode = "fixed source"
+
+    radius = list(range(1, 50))
+    sphere_mesh = openmc.SphericalMesh(radius)
+    mesh_filter = openmc.MeshFilter(sphere_mesh)
+    weight_filter = openmc.WeightFilter(
+        [0.999, 0.9999, 0.99999, 0.999999, 1.0, 1.000001 ,1.00001, 1.0001, 1.001]
+    )
+
+    tally = openmc.Tally()
+    tally.filters = [mesh_filter, weight_filter]
+    tally.estimator = 'analog'
+    tally.scores = ['flux']
+    model.tallies = openmc.Tallies([tally])
+
+    # Run OpenMC
+    model.run(apply_tally_results=True)
+
+    # Get current binned by mu
+    neutron_flux = tally.mean.reshape(48, 8)
+
+    # All contributions should show up in the fourth bin
+    assert np.all(neutron_flux[:, 3] != 0.0)
+    neutron_flux[:, 3] = 0.0
+    assert np.all(neutron_flux == 0.0)
diff --git a/tests/unit_tests/test_filters.py b/tests/unit_tests/test_filters.py
index c3b737192..60a60e3f5 100644
--- a/tests/unit_tests/test_filters.py
+++ b/tests/unit_tests/test_filters.py
@@ -312,3 +312,24 @@ def test_energy_filter():
     msg = 'Unable to set "filter value" to "-1.2" since it is less than "0.0"'
     with raises(ValueError, match=msg):
         openmc.EnergyFilter([-1.2, 0.25, 0.5])
+
+
+def test_weight():
+    f = openmc.WeightFilter([0.01, 0.1, 1.0, 10.0])
+    expected_bins = [[0.01, 0.1], [0.1, 1.0], [1.0, 10.0]]
+
+    assert np.allclose(f.bins, expected_bins)
+    assert len(f.bins) == 3
+
+    # Make sure __repr__ works
+    repr(f)
+
+    # to_xml_element()
+    elem = f.to_xml_element()
+    assert elem.tag == 'filter'
+    assert elem.attrib['type'] == 'weight'
+
+    # from_xml_element()
+    new_f = openmc.Filter.from_xml_element(elem)
+    assert new_f.id == f.id
+    assert np.allclose(new_f.bins, f.bins)

From e4f55a57b69c87f16e73710bcf51f7427b2cb6a7 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Mon, 5 May 2025 15:59:11 -0500
Subject: [PATCH 2302/2654] Fix weight modification for uniform source sampling
 (#3395)

Co-authored-by: Patrick Shriwise <pshriwise@gmail.com>
---
 openmc/deplete/d1s.py                            |  4 +++-
 openmc/source.py                                 |  2 +-
 src/settings.cpp                                 | 14 +++++++-------
 src/source.cpp                                   | 15 ++++++++++-----
 src/tallies/tally.cpp                            |  7 ++-----
 tests/unit_tests/test_uniform_source_sampling.py | 15 +++++++++++----
 6 files changed, 34 insertions(+), 23 deletions(-)

diff --git a/openmc/deplete/d1s.py b/openmc/deplete/d1s.py
index 8f6bffa86..0a1ed74b1 100644
--- a/openmc/deplete/d1s.py
+++ b/openmc/deplete/d1s.py
@@ -141,7 +141,9 @@ def apply_time_correction(
     time_correction_factors : dict
         Time correction factors as returned by :func:`time_correction_factors`
     index : int, optional
-        Index to use for the correction factors
+        Index of the time of interest. If N timesteps are provided in
+        :func:`time_correction_factors`, there are N + 1 times to select from.
+        The default is -1 which corresponds to the final time.
     sum_nuclides : bool
         Whether to sum over the parent nuclides
 
diff --git a/openmc/source.py b/openmc/source.py
index 878f52c3b..87e734e9a 100644
--- a/openmc/source.py
+++ b/openmc/source.py
@@ -110,7 +110,7 @@ class SourceBase(ABC):
                 cv.check_value('rejection strategy', value, ('resample', 'kill'))
                 self._constraints['rejection_strategy'] = value
             else:
-                raise ValueError('Unknown key in constraints dictionary: {key}')
+                raise ValueError(f'Unknown key in constraints dictionary: {key}')
 
     @abstractmethod
     def populate_xml_element(self, element):
diff --git a/src/settings.cpp b/src/settings.cpp
index c135fa339..c8230a10f 100644
--- a/src/settings.cpp
+++ b/src/settings.cpp
@@ -620,13 +620,6 @@ void read_settings_xml(pugi::xml_node root)
     model::external_sources.push_back(make_unique<FileSource>(path));
   }
 
-  // Build probability mass function for sampling external sources
-  vector<double> source_strengths;
-  for (auto& s : model::external_sources) {
-    source_strengths.push_back(s->strength());
-  }
-  model::external_sources_probability.assign(source_strengths);
-
   // If no source specified, default to isotropic point source at origin with
   // Watt spectrum. No default source is needed in random ray mode.
   if (model::external_sources.empty() &&
@@ -639,6 +632,13 @@ void read_settings_xml(pugi::xml_node root)
       UPtrDist {new Discrete(T, p, 1)}));
   }
 
+  // Build probability mass function for sampling external sources
+  vector<double> source_strengths;
+  for (auto& s : model::external_sources) {
+    source_strengths.push_back(s->strength());
+  }
+  model::external_sources_probability.assign(source_strengths);
+
   // Check if we want to write out source
   if (check_for_node(root, "write_initial_source")) {
     write_initial_source = get_node_value_bool(root, "write_initial_source");
diff --git a/src/source.cpp b/src/source.cpp
index c1b4ce260..8e6eb4f11 100644
--- a/src/source.cpp
+++ b/src/source.cpp
@@ -613,9 +613,10 @@ SourceSite sample_external_source(uint64_t* seed)
 {
   // Sample from among multiple source distributions
   int i = 0;
-  if (model::external_sources.size() > 1) {
+  int n_sources = model::external_sources.size();
+  if (n_sources > 1) {
     if (settings::uniform_source_sampling) {
-      i = prn(seed) * model::external_sources.size();
+      i = prn(seed) * n_sources;
     } else {
       i = model::external_sources_probability.sample(seed);
     }
@@ -624,9 +625,13 @@ SourceSite sample_external_source(uint64_t* seed)
   // Sample source site from i-th source distribution
   SourceSite site {model::external_sources[i]->sample_with_constraints(seed)};
 
-  // Set particle creation weight
-  if (settings::uniform_source_sampling) {
-    site.wgt *= model::external_sources[i]->strength();
+  // For uniform source sampling, multiply the weight by the ratio of the actual
+  // probability of sampling source i to the biased probability of sampling
+  // source i, which is (strength_i / total_strength) / (1 / n)
+  if (n_sources > 1 && settings::uniform_source_sampling) {
+    double total_strength = model::external_sources_probability.integral();
+    site.wgt *=
+      model::external_sources[i]->strength() * n_sources / total_strength;
   }
 
   // If running in MG, convert site.E to group
diff --git a/src/tallies/tally.cpp b/src/tallies/tally.cpp
index 35805b20d..54840b518 100644
--- a/src/tallies/tally.cpp
+++ b/src/tallies/tally.cpp
@@ -815,11 +815,8 @@ void Tally::accumulate()
   if (mpi::master || !settings::reduce_tallies) {
     // Calculate total source strength for normalization
     double total_source = 0.0;
-    if (settings::run_mode == RunMode::FIXED_SOURCE &&
-        !settings::uniform_source_sampling) {
-      for (const auto& s : model::external_sources) {
-        total_source += s->strength();
-      }
+    if (settings::run_mode == RunMode::FIXED_SOURCE) {
+      total_source = model::external_sources_probability.integral();
     } else {
       total_source = 1.0;
     }
diff --git a/tests/unit_tests/test_uniform_source_sampling.py b/tests/unit_tests/test_uniform_source_sampling.py
index 7f805e37d..0d1930328 100644
--- a/tests/unit_tests/test_uniform_source_sampling.py
+++ b/tests/unit_tests/test_uniform_source_sampling.py
@@ -14,10 +14,15 @@ def sphere_model():
 
     model.settings.particles = 100
     model.settings.batches = 1
-    model.settings.source = openmc.IndependentSource(
+    src1 = openmc.IndependentSource(
         energy=openmc.stats.delta_function(1.0e3),
-        strength=100.0
+        strength=75.0
     )
+    src2 = openmc.IndependentSource(
+        energy=openmc.stats.delta_function(1.0e3),
+        strength=25.0
+    )
+    model.settings.source = [src1, src2]
     model.settings.run_mode = "fixed source"
     model.settings.surf_source_write = {
         "max_particles": 100,
@@ -42,11 +47,13 @@ def test_source_weight(run_in_tmpdir, sphere_model):
     sphere_model.settings.uniform_source_sampling = True
     sphere_model.run()
     particles = openmc.ParticleList.from_hdf5('surface_source.h5')
-    strength = sphere_model.settings.source[0].strength
-    assert set(p.wgt for p in particles) == {strength}
+    assert set(p.wgt for p in particles) == {0.5, 1.5}
 
 
 def test_tally_mean(run_in_tmpdir, sphere_model):
+    # Use only one source
+    sphere_model.settings.source.pop()
+
     # Run without uniform source sampling
     sphere_model.settings.uniform_source_sampling = False
     sp_file = sphere_model.run()

From f9dca9a458fec7ec8384b88d349170ddf581ce3d Mon Sep 17 00:00:00 2001
From: GuySten <62616591+GuySten@users.noreply.github.com>
Date: Tue, 6 May 2025 03:04:47 +0300
Subject: [PATCH 2303/2654] Fixing an incorrect computation of CDF of
 bremsstrahlung photons (#3396)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 src/material.cpp                              |  9 +--
 .../photon_production/results_true.dat        | 24 ++++----
 .../results_true.dat                          | 58 +++++++++----------
 .../photon_source/results_true.dat            |  4 +-
 .../weightwindows/results_true.dat            |  2 +-
 5 files changed, 49 insertions(+), 48 deletions(-)

diff --git a/src/material.cpp b/src/material.cpp
index 2bd504e4d..b8846d7cb 100644
--- a/src/material.cpp
+++ b/src/material.cpp
@@ -777,14 +777,15 @@ void Material::init_bremsstrahlung()
       // Loop over photon energies
       double c = 0.0;
       for (int i = 0; i < j; ++i) {
-        // Integrate the CDF from the PDF using the trapezoidal rule in log-log
-        // space
+        // Integrate the CDF from the PDF using the fact that the PDF is linear
+        // in log-log space
         double w_l = std::log(data::ttb_e_grid(i));
         double w_r = std::log(data::ttb_e_grid(i + 1));
         double x_l = std::log(ttb->pdf(j, i));
         double x_r = std::log(ttb->pdf(j, i + 1));
-
-        c += 0.5 * (w_r - w_l) * (std::exp(w_l + x_l) + std::exp(w_r + x_r));
+        double beta = (x_r - x_l) / (w_r - w_l);
+        double a = beta + 1.0;
+        c += std::exp(w_l + x_l) / a * std::expm1(a * (w_r - w_l));
         ttb->cdf(j, i + 1) = c;
       }
 
diff --git a/tests/regression_tests/photon_production/results_true.dat b/tests/regression_tests/photon_production/results_true.dat
index a911fed3b..874e32b85 100644
--- a/tests/regression_tests/photon_production/results_true.dat
+++ b/tests/regression_tests/photon_production/results_true.dat
@@ -16,12 +16,12 @@ tally 2:
 1.573004E+00
 4.296434E-04
 1.845934E-07
-2.350021E-01
-5.522600E-02
+2.350047E-01
+5.522722E-02
 0.000000E+00
 0.000000E+00
-2.350021E-01
-5.522600E-02
+2.350047E-01
+5.522722E-02
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -73,8 +73,8 @@ tally 3:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-1.774451E+05
-3.148675E+10
+1.774484E+05
+3.148794E+10
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -85,8 +85,8 @@ tally 3:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-7.691658E+03
-5.916160E+07
+7.692488E+03
+5.917437E+07
 0.000000E+00
 0.000000E+00
 tally 4:
@@ -122,8 +122,8 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-1.774451E+05
-3.148675E+10
+1.774484E+05
+3.148794E+10
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -134,7 +134,7 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-7.691658E+03
-5.916160E+07
+7.692488E+03
+5.917437E+07
 0.000000E+00
 0.000000E+00
diff --git a/tests/regression_tests/photon_production_fission/results_true.dat b/tests/regression_tests/photon_production_fission/results_true.dat
index 7e20342af..cdbb1255c 100644
--- a/tests/regression_tests/photon_production_fission/results_true.dat
+++ b/tests/regression_tests/photon_production_fission/results_true.dat
@@ -1,12 +1,12 @@
 k-combined:
-2.270911E+00 4.568134E-02
+2.278476E+00 6.220292E-02
 tally 1:
-2.663476E+00
-2.366726E+00
+2.664071E+00
+2.369250E+00
 0.000000E+00
 0.000000E+00
-2.663476E+00
-2.366726E+00
+2.664071E+00
+2.369250E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -18,52 +18,52 @@ tally 1:
 0.000000E+00
 0.000000E+00
 tally 2:
-2.636709E+00
-2.318646E+00
-4.230052E+08
-5.967879E+16
+2.640755E+00
+2.326201E+00
+4.245217E+08
+6.012128E+16
 0.000000E+00
 0.000000E+00
-2.636709E+00
-2.318646E+00
-4.230052E+08
-5.967879E+16
+2.640755E+00
+2.326201E+00
+4.245217E+08
+6.012128E+16
 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-2.455009E+06
-2.015314E+12
+2.479234E+06
+2.052367E+12
 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-2.455009E+06
-2.015314E+12
+2.479234E+06
+2.052367E+12
 0.000000E+00
 0.000000E+00
 tally 3:
-2.660004E+00
-2.358564E+00
-4.230052E+08
-5.967879E+16
+2.657846E+00
+2.354717E+00
+4.245217E+08
+6.012128E+16
 0.000000E+00
 0.000000E+00
-2.660004E+00
-2.358564E+00
-4.230052E+08
-5.967879E+16
+2.657846E+00
+2.354717E+00
+4.245217E+08
+6.012128E+16
 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-2.455009E+06
-2.015314E+12
+2.479234E+06
+2.052367E+12
 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-2.455009E+06
-2.015314E+12
+2.479234E+06
+2.052367E+12
 0.000000E+00
 0.000000E+00
diff --git a/tests/regression_tests/photon_source/results_true.dat b/tests/regression_tests/photon_source/results_true.dat
index fcc75cbca..8d934afc6 100644
--- a/tests/regression_tests/photon_source/results_true.dat
+++ b/tests/regression_tests/photon_source/results_true.dat
@@ -1,5 +1,5 @@
 tally 1:
-2.263938E+02
-5.125417E+04
+2.263761E+02
+5.124615E+04
 0.000000E+00
 0.000000E+00
diff --git a/tests/regression_tests/weightwindows/results_true.dat b/tests/regression_tests/weightwindows/results_true.dat
index 6bb992cd4..671be1d7b 100644
--- a/tests/regression_tests/weightwindows/results_true.dat
+++ b/tests/regression_tests/weightwindows/results_true.dat
@@ -1 +1 @@
-952c20fefac374d3b9fd28627fda7d5ae262f8cd7c01a33f0381526204a2287c18e56259a599dc6fdc1b59a2d2866fdfeedea371154c8fa7a69dc5c445b08c2d
\ No newline at end of file
+a5880ad9262e8aba90801783891ee74618144101401f06fb46e954e851a3c517ab28d5f0d6e1b2b364844f08d363cba35ab23b63fc81012ea8a6a328755d56c4
\ No newline at end of file

From c1c5c0b93ecc93815afb3554a2812fb22b50d9c4 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Wed, 7 May 2025 18:51:40 -0600
Subject: [PATCH 2304/2654] Apply resolve paths to path values in `config`
 (#3400)

---
 docs/source/usersguide/data.rst | 3 ++-
 openmc/config.py                | 2 +-
 tests/unit_tests/test_config.py | 7 +++++++
 3 files changed, 10 insertions(+), 2 deletions(-)

diff --git a/docs/source/usersguide/data.rst b/docs/source/usersguide/data.rst
index 2a9cd36db..8b2938556 100644
--- a/docs/source/usersguide/data.rst
+++ b/docs/source/usersguide/data.rst
@@ -30,7 +30,8 @@ responsible for specifying one or more of the following:
 Each of the above files can specified in several ways. In the Python API, a
 :ref:`runtime configuration variable <usersguide_data_runtime>`
 :data:`openmc.config` can be used to specify any of the above and is initialized
-using a set of environment variables.
+using a set of environment variables. Data configuration paths set in
+:data:`openmc.config` will be expanded to absolute paths.
 
 .. _usersguide_data_runtime:
 
diff --git a/openmc/config.py b/openmc/config.py
index ab53ab61b..56d8a4072 100644
--- a/openmc/config.py
+++ b/openmc/config.py
@@ -60,7 +60,7 @@ class _Config(MutableMapping):
         return repr(self._mapping)
 
     def _set_path(self, key, value):
-        self._mapping[key] = p = Path(value)
+        self._mapping[key] = p = Path(value).resolve()
         if not p.exists():
             warnings.warn(f"'{value}' does not exist.")
 
diff --git a/tests/unit_tests/test_config.py b/tests/unit_tests/test_config.py
index 9d3f53a74..4e87de4b7 100644
--- a/tests/unit_tests/test_config.py
+++ b/tests/unit_tests/test_config.py
@@ -1,5 +1,6 @@
 from collections.abc import Mapping
 import os
+from pathlib import Path
 
 import openmc
 import pytest
@@ -34,6 +35,12 @@ def test_config_basics():
     with pytest.raises(KeyError):
         openmc.config['🐖'] = '/like/to/eat/bacon'
 
+    # ensure relative paths are expanded into absolute
+    # paths
+    chain_path = Path('./chain.xml')
+    openmc.config['chain_file'] = chain_path
+    assert openmc.config['chain_file'] == chain_path.resolve()
+
 
 def test_config_patch():
     openmc.config['cross_sections'] = '/path/to/cross_sections.xml'

From ba834be5c29f4e2a5218cf6377bf536b0358a12c Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Thu, 8 May 2025 08:10:33 +0200
Subject: [PATCH 2305/2654] added type hints to model file (#3399)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/model/model.py | 223 ++++++++++++++++++++++++++++++------------
 1 file changed, 162 insertions(+), 61 deletions(-)

diff --git a/openmc/model/model.py b/openmc/model/model.py
index 9ff574ec6..c19c8ac9f 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -67,8 +67,14 @@ class Model:
 
     """
 
-    def __init__(self, geometry=None, materials=None, settings=None,
-                 tallies=None, plots=None):
+    def __init__(
+        self,
+        geometry: openmc.Geometry | None = None,
+        materials: openmc.Materials = None,
+        settings: openmc.Settings | None = None,
+        tallies: openmc.Tallies | None = None,
+        plots: openmc.Plots | None = None,
+    ):
         self.geometry = openmc.Geometry() if geometry is None else geometry
         self.materials = openmc.Materials() if materials is None else materials
         self.settings = openmc.Settings() if settings is None else settings
@@ -192,24 +198,29 @@ class Model:
         return result
 
     @classmethod
-    def from_xml(cls, geometry='geometry.xml', materials='materials.xml',
-                 settings='settings.xml', tallies='tallies.xml',
-                 plots='plots.xml') -> Model:
+    def from_xml(
+        cls,
+        geometry: PathLike = "geometry.xml",
+        materials: PathLike = "materials.xml",
+        settings: PathLike = "settings.xml",
+        tallies: PathLike = "tallies.xml",
+        plots: PathLike = "plots.xml",
+    ) -> Model:
         """Create model from existing XML files
 
         Parameters
         ----------
-        geometry : str
+        geometry : PathLike
             Path to geometry.xml file
-        materials : str
+        materials : PathLike
             Path to materials.xml file
-        settings : str
+        settings : PathLike
             Path to settings.xml file
-        tallies : str
+        tallies : PathLike
             Path to tallies.xml file
 
             .. versionadded:: 0.13.0
-        plots : str
+        plots : PathLike
             Path to plots.xml file
 
             .. versionadded:: 0.13.0
@@ -229,14 +240,14 @@ class Model:
         return cls(geometry, materials, settings, tallies, plots)
 
     @classmethod
-    def from_model_xml(cls, path='model.xml'):
+    def from_model_xml(cls, path: PathLike = "model.xml") -> Model:
         """Create model from single XML file
 
         .. versionadded:: 0.13.3
 
         Parameters
         ----------
-        path : str or PathLike
+        path : PathLike
             Path to model.xml file
         """
         parser = ET.XMLParser(huge_tree=True)
@@ -262,8 +273,17 @@ class Model:
 
         return model
 
-    def init_lib(self, threads=None, geometry_debug=False, restart_file=None,
-                 tracks=False, output=True, event_based=None, intracomm=None, directory=None):
+    def init_lib(
+        self,
+        threads: int | None = None,
+        geometry_debug: bool = False,
+        restart_file: PathLike | None = None,
+        tracks: bool = False,
+        output: bool = True,
+        event_based: bool | None = None,
+        intracomm=None,
+        directory: PathLike | None = None,
+    ):
         """Initializes the model in memory via the C API
 
         .. versionadded:: 0.13.0
@@ -278,7 +298,7 @@ class Model:
             variable).
         geometry_debug : bool, optional
             Turn on geometry debugging during simulation. Defaults to False.
-        restart_file : str, optional
+        restart_file : PathLike, optional
             Path to restart file to use
         tracks : bool, optional
             Enables the writing of particles tracks. The number of particle
@@ -291,7 +311,7 @@ class Model:
             the Settings will be used.
         intracomm : mpi4py.MPI.Intracomm or None, optional
             MPI intracommunicator
-        directory : str or None, optional
+        directory : PathLike or None, optional
             Directory to write XML files to. Defaults to None.
         """
 
@@ -365,9 +385,15 @@ class Model:
 
         openmc.lib.finalize()
 
-    def deplete(self, timesteps, method='cecm', final_step=True,
-                operator_kwargs=None, directory='.', output=True,
-                **integrator_kwargs):
+    def deplete(
+        self,
+        method: str = "cecm",
+        final_step: bool = True,
+        operator_kwargs: dict | None = None,
+        directory: PathLike = ".",
+        output: bool = True,
+        **integrator_kwargs,
+    ):
         """Deplete model using specified timesteps/power
 
         .. versionchanged:: 0.13.0
@@ -376,10 +402,12 @@ class Model:
 
         Parameters
         ----------
-        timesteps : iterable of float
-            Array of timesteps in units of [s]. Note that values are not
-            cumulative.
-        method : str, optional
+        timesteps : iterable of float or iterable of tuple
+            Array of timesteps. Note that values are not cumulative. The units are
+            specified by the `timestep_units` argument when `timesteps` is an
+            iterable of float. Alternatively, units can be specified for each step
+            by passing an iterable of (value, unit) tuples.
+        method : str
              Integration method used for depletion (e.g., 'cecm', 'predictor').
              Defaults to 'cecm'.
         final_step : bool, optional
@@ -388,14 +416,14 @@ class Model:
         operator_kwargs : dict
             Keyword arguments passed to the depletion operator initializer
             (e.g., :func:`openmc.deplete.Operator`)
-        directory : str, optional
+        directory : PathLike, optional
             Directory to write XML files to. If it doesn't exist already, it
             will be created. Defaults to the current working directory
         output : bool
             Capture OpenMC output from standard out
         integrator_kwargs : dict
-            Remaining keyword arguments passed to the depletion Integrator
-            initializer (e.g., :func:`openmc.deplete.integrator.cecm`).
+            Remaining keyword arguments passed to the depletion integrator
+            (e.g., :class:`openmc.deplete.CECMIntegrator`).
 
         """
 
@@ -426,8 +454,7 @@ class Model:
             check_value('method', method,
                         dep.integrators.integrator_by_name.keys())
             integrator_class = dep.integrators.integrator_by_name[method]
-            integrator = integrator_class(depletion_operator, timesteps,
-                                          **integrator_kwargs)
+            integrator = integrator_class(depletion_operator, **integrator_kwargs)
 
             # Now perform the depletion
             with openmc.lib.quiet_dll(output):
@@ -456,7 +483,7 @@ class Model:
 
         Parameters
         ----------
-        directory : str
+        directory : PathLike
             Directory to write XML files to. If it doesn't exist already, it
             will be created.
         remove_surfs : bool
@@ -570,7 +597,7 @@ class Model:
                 fh.write(ET.tostring(plots_element, encoding="unicode"))
             fh.write("</model>\n")
 
-    def import_properties(self, filename):
+    def import_properties(self, filename: PathLike):
         """Import physical properties
 
         .. versionchanged:: 0.13.0
@@ -578,7 +605,7 @@ class Model:
 
         Parameters
         ----------
-        filename : str
+        filename : PathLike
             Path to properties HDF5 file
 
         See Also
@@ -631,11 +658,22 @@ class Model:
                     C_mat = openmc.lib.materials[mat_id]
                     C_mat.set_density(atom_density, 'atom/b-cm')
 
-    def run(self, particles=None, threads=None, geometry_debug=False,
-            restart_file=None, tracks=False, output=True, cwd='.',
-            openmc_exec='openmc', mpi_args=None, event_based=None,
-            export_model_xml=True, apply_tally_results=False,
-            **export_kwargs):
+    def run(
+        self,
+        particles: int | None = None,
+        threads: int | None = None,
+        geometry_debug: bool = False,
+        restart_file: PathLike | None = None,
+        tracks: bool = False,
+        output: bool = True,
+        cwd: PathLike = ".",
+        openmc_exec: PathLike = "openmc",
+        mpi_args: Iterable[str] = None,
+        event_based: bool | None = None,
+        export_model_xml: bool = True,
+        apply_tally_results: bool = False,
+        **export_kwargs,
+    ) -> Path:
         """Run OpenMC
 
         If the C API has been initialized, then the C API is used, otherwise,
@@ -767,10 +805,17 @@ class Model:
 
         return last_statepoint
 
-    def calculate_volumes(self, threads=None, output=True, cwd='.',
-                          openmc_exec='openmc', mpi_args=None,
-                          apply_volumes=True, export_model_xml=True,
-                          **export_kwargs):
+    def calculate_volumes(
+        self,
+        threads: int | None = None,
+        output: bool = True,
+        cwd: PathLike = ".",
+        openmc_exec: PathLike = "openmc",
+        mpi_args: list[str] | None = None,
+        apply_volumes: bool = True,
+        export_model_xml: bool = True,
+        **export_kwargs,
+    ):
         """Runs an OpenMC stochastic volume calculation and, if requested,
         applies volumes to the model
 
@@ -1116,8 +1161,14 @@ class Model:
         """
         self.tallies.add_results(statepoint)
 
-    def plot_geometry(self, output=True, cwd='.', openmc_exec='openmc',
-                      export_model_xml=True, **export_kwargs):
+    def plot_geometry(
+        self,
+        output: bool = True,
+        cwd: PathLike = ".",
+        openmc_exec: PathLike = "openmc",
+        export_model_xml: bool = True,
+        **export_kwargs,
+    ):
         """Creates plot images as specified by the Model.plots attribute
 
         .. versionadded:: 0.13.0
@@ -1126,10 +1177,10 @@ class Model:
         ----------
         output : bool, optional
             Capture OpenMC output from standard out
-        cwd : str, optional
+        cwd : PathLike, optional
             Path to working directory to run in. Defaults to the current
             working directory.
-        openmc_exec : str, optional
+        openmc_exec : PathLike, optional
             Path to OpenMC executable. Defaults to 'openmc'.
             This only applies to the case when not using the C API.
         export_model_xml : bool, optional
@@ -1159,8 +1210,14 @@ class Model:
                 openmc.plot_geometry(output=output, openmc_exec=openmc_exec,
                                      path_input=path_input)
 
-    def _change_py_lib_attribs(self, names_or_ids, value, obj_type,
-                               attrib_name, density_units='atom/b-cm'):
+    def _change_py_lib_attribs(
+        self,
+        names_or_ids: Iterable[str] | Iterable[int],
+        value: float | Iterable[float],
+        obj_type: str,
+        attrib_name: str,
+        density_units: str = "atom/b-cm",
+    ):
         # Method to do the same work whether it is a cell or material and
         # a temperature or volume
         check_type('names_or_ids', names_or_ids, Iterable, (Integral, str))
@@ -1239,7 +1296,9 @@ class Model:
                 else:
                     setattr(lib_obj, attrib_name, value)
 
-    def rotate_cells(self, names_or_ids, vector):
+    def rotate_cells(
+        self, names_or_ids: Iterable[str] | Iterable[int], vector: Iterable[float]
+    ):
         """Rotate the identified cell(s) by the specified rotation vector.
         The rotation is only applied to cells filled with a universe.
 
@@ -1261,7 +1320,9 @@ class Model:
 
         self._change_py_lib_attribs(names_or_ids, vector, 'cell', 'rotation')
 
-    def translate_cells(self, names_or_ids, vector):
+    def translate_cells(
+        self, names_or_ids: Iterable[str] | Iterable[int], vector: Iterable[float]
+    ):
         """Translate the identified cell(s) by the specified translation vector.
         The translation is only applied to cells filled with a universe.
 
@@ -1284,7 +1345,12 @@ class Model:
         self._change_py_lib_attribs(names_or_ids, vector, 'cell',
                                     'translation')
 
-    def update_densities(self, names_or_ids, density, density_units='atom/b-cm'):
+    def update_densities(
+        self,
+        names_or_ids: Iterable[str] | Iterable[int],
+        density: float,
+        density_units: str = "atom/b-cm",
+    ):
         """Update the density of a given set of materials to a new value
 
         .. note:: If applying this change to a name that is not unique, then
@@ -1307,7 +1373,9 @@ class Model:
         self._change_py_lib_attribs(names_or_ids, density, 'material',
                                     'density', density_units)
 
-    def update_cell_temperatures(self, names_or_ids, temperature):
+    def update_cell_temperatures(
+        self, names_or_ids: Iterable[str] | Iterable[int], temperature: float
+    ):
         """Update the temperature of a set of cells to the given value
 
         .. note:: If applying this change to a name that is not unique, then
@@ -1328,7 +1396,9 @@ class Model:
         self._change_py_lib_attribs(names_or_ids, temperature, 'cell',
                                     'temperature')
 
-    def update_material_volumes(self, names_or_ids, volume):
+    def update_material_volumes(
+        self, names_or_ids: Iterable[str] | Iterable[int], volume: float
+    ):
         """Update the volume of a set of materials to the given value
 
         .. note:: If applying this change to a name that is not unique, then
@@ -1449,7 +1519,14 @@ class Model:
                 self.geometry.get_all_materials().values()
             )
 
-    def _generate_infinite_medium_mgxs(self, groups, nparticles, mgxs_path, correction, directory):
+    def _generate_infinite_medium_mgxs(
+        self,
+        groups: openmc.mgxs.EnergyGroups,
+        nparticles: int,
+        mgxs_path: PathLike,
+        correction: str | None,
+        directory: PathLike,
+    ):
         """Generate a MGXS library by running multiple OpenMC simulations, each
         representing an infinite medium simulation of a single isolated
         material. A discrete source is used to sample particles, with an equal
@@ -1567,7 +1644,11 @@ class Model:
         mgxs_file.export_to_hdf5(mgxs_path)
 
     @staticmethod
-    def _create_stochastic_slab_geometry(materials, cell_thickness=1.0, num_repeats=100):
+    def _create_stochastic_slab_geometry(
+        materials: Sequence[openmc.Material],
+        cell_thickness: float = 1.0,
+        num_repeats: int = 100,
+    ) -> tuple[openmc.Geometry, openmc.stats.Box]:
         """Create a geometry representing a stochastic "sandwich" of materials in a
         layered slab geometry. To reduce the impact of the order of materials in
         the slab, the materials are applied to 'num_repeats' different randomly
@@ -1636,7 +1717,14 @@ class Model:
 
         return geometry, box
 
-    def _generate_stochastic_slab_mgxs(self, groups, nparticles, mgxs_path, correction, directory) -> None:
+    def _generate_stochastic_slab_mgxs(
+        self,
+        groups: openmc.mgxs.EnergyGroups,
+        nparticles: int,
+        mgxs_path: PathLike,
+        correction: str | None,
+        directory: PathLike,
+    ) -> None:
         """Generate MGXS assuming a stochastic "sandwich" of materials in a layered
         slab geometry. While geometry-specific spatial shielding effects are not
         captured, this method can be useful when the geometry has materials only
@@ -1741,7 +1829,14 @@ class Model:
         mgxs_file = mgxs_lib.create_mg_library(xs_type='macro', xsdata_names=names)
         mgxs_file.export_to_hdf5(mgxs_path)
 
-    def _generate_material_wise_mgxs(self, groups, nparticles, mgxs_path, correction, directory) -> None:
+    def _generate_material_wise_mgxs(
+        self,
+        groups: openmc.mgxs.EnergyGroups,
+        nparticles: int,
+        mgxs_path: PathLike,
+        correction: str | None,
+        directory: PathLike,
+    ) -> None:
         """Generate a material-wise MGXS library for the model by running the
         original continuous energy OpenMC simulation of the full material
         geometry and source, and tally MGXS data for each material. This method
@@ -1758,12 +1853,12 @@ class Model:
             Energy group structure for the MGXS.
         nparticles : int
             Number of particles to simulate per batch when generating MGXS.
-        mgxs_path : str
+        mgxs_path : PathLike
             Filename for the MGXS HDF5 file.
         correction : str
             Transport correction to apply to the MGXS. Options are None and
             "P0".
-        directory : str
+        directory : PathLike
             Directory to run the simulation in, so as to contain XML files.
         """
         openmc.reset_auto_ids()
@@ -1831,9 +1926,15 @@ class Model:
             xs_type='macro', xsdata_names=names)
         mgxs_file.export_to_hdf5(mgxs_path)
 
-    def convert_to_multigroup(self, method="material_wise", groups='CASMO-2',
-                              nparticles=2000, overwrite_mgxs_library=False,
-                              mgxs_path: PathLike = "mgxs.h5", correction=None):
+    def convert_to_multigroup(
+        self,
+        method: str = "material_wise",
+        groups: str = "CASMO-2",
+        nparticles: int = 2000,
+        overwrite_mgxs_library: bool = False,
+        mgxs_path: PathLike = "mgxs.h5",
+        correction: str | None = None,
+    ):
         """Convert all materials from continuous energy to multigroup.
 
         If no MGXS data library file is found, generate one using one or more
@@ -1868,7 +1969,7 @@ class Model:
                     self.sync_dagmc_universes()
                     self.finalize_lib()
                     break
-            
+
             # Make sure all materials have a name, and that the name is a valid HDF5
             # dataset name
             for material in self.materials:

From f615441f069cea5a835c1302fa84f7f5a9bdf538 Mon Sep 17 00:00:00 2001
From: John Tramm <john.tramm@gmail.com>
Date: Fri, 9 May 2025 22:10:25 -0500
Subject: [PATCH 2306/2654] Random Ray Misc Memory Error Fixes (#3405)

Co-authored-by: Hunter Belanger <hunter.belanger@gmail.com>
---
 src/random_ray/flat_source_domain.cpp |  8 +++++---
 src/random_ray/random_ray.cpp         | 21 +++++++++++++--------
 src/random_ray/source_region.cpp      |  6 +++++-
 3 files changed, 23 insertions(+), 12 deletions(-)

diff --git a/src/random_ray/flat_source_domain.cpp b/src/random_ray/flat_source_domain.cpp
index 8ab30abf2..cd073f350 100644
--- a/src/random_ray/flat_source_domain.cpp
+++ b/src/random_ray/flat_source_domain.cpp
@@ -206,9 +206,11 @@ void FlatSourceDomain::set_flux_to_flux_plus_source(
   int material = source_regions_.material(sr);
   if (material == MATERIAL_VOID) {
     source_regions_.scalar_flux_new(sr, g) /= volume;
-    source_regions_.scalar_flux_new(sr, g) +=
-      0.5f * source_regions_.external_source(sr, g) *
-      source_regions_.volume_sq(sr);
+    if (settings::run_mode == RunMode::FIXED_SOURCE) {
+      source_regions_.scalar_flux_new(sr, g) +=
+        0.5f * source_regions_.external_source(sr, g) *
+        source_regions_.volume_sq(sr);
+    }
   } else {
     double sigma_t = sigma_t_[source_regions_.material(sr) * negroups_ + g];
     source_regions_.scalar_flux_new(sr, g) /= (sigma_t * volume);
diff --git a/src/random_ray/random_ray.cpp b/src/random_ray/random_ray.cpp
index 532840f1f..27819591c 100644
--- a/src/random_ray/random_ray.cpp
+++ b/src/random_ray/random_ray.cpp
@@ -518,8 +518,10 @@ void RandomRay::attenuate_flux_flat_source_void(
   }
 
   // Add source to incoming angular flux, assuming void region
-  for (int g = 0; g < negroups_; g++) {
-    angular_flux_[g] += srh.external_source(g) * distance;
+  if (settings::run_mode == RunMode::FIXED_SOURCE) {
+    for (int g = 0; g < negroups_; g++) {
+      angular_flux_[g] += srh.external_source(g) * distance;
+    }
   }
 }
 
@@ -688,7 +690,10 @@ void RandomRay::attenuate_flux_linear_source_void(
   // transport through a void region is greatly simplified. Here we
   // compute the updated flux moments.
   for (int g = 0; g < negroups_; g++) {
-    float spatial_source = srh.external_source(g);
+    float spatial_source = 0.f;
+    if (settings::run_mode == RunMode::FIXED_SOURCE) {
+      spatial_source = srh.external_source(g);
+    }
     float new_delta_psi = (angular_flux_[g] - spatial_source) * distance;
     float h1 = 0.5f;
     h1 = h1 * angular_flux_[g];
@@ -750,8 +755,10 @@ void RandomRay::attenuate_flux_linear_source_void(
   }
 
   // Add source to incoming angular flux, assuming void region
-  for (int g = 0; g < negroups_; g++) {
-    angular_flux_[g] += srh.external_source(g) * distance;
+  if (settings::run_mode == RunMode::FIXED_SOURCE) {
+    for (int g = 0; g < negroups_; g++) {
+      angular_flux_[g] += srh.external_source(g) * distance;
+    }
   }
 }
 
@@ -782,9 +789,7 @@ void RandomRay::initialize_ray(uint64_t ray_id, FlatSourceDomain* domain)
     fatal_error("Unknown sample method for random ray transport.");
   }
 
-  site.E = lower_bound_index(
-    data::mg.rev_energy_bins_.begin(), data::mg.rev_energy_bins_.end(), site.E);
-  site.E = negroups_ - site.E - 1.;
+  site.E = 0.0;
   this->from_source(&site);
 
   // Locate ray
diff --git a/src/random_ray/source_region.cpp b/src/random_ray/source_region.cpp
index 6c0df0157..69541f7f8 100644
--- a/src/random_ray/source_region.cpp
+++ b/src/random_ray/source_region.cpp
@@ -217,7 +217,11 @@ SourceRegionHandle SourceRegionContainer::get_source_region_handle(int64_t sr)
   handle.scalar_flux_old_ = &scalar_flux_old(sr, 0);
   handle.scalar_flux_new_ = &scalar_flux_new(sr, 0);
   handle.source_ = &source(sr, 0);
-  handle.external_source_ = &external_source(sr, 0);
+  if (settings::run_mode == RunMode::FIXED_SOURCE) {
+    handle.external_source_ = &external_source(sr, 0);
+  } else {
+    handle.external_source_ = nullptr;
+  }
   handle.scalar_flux_final_ = &scalar_flux_final(sr, 0);
   handle.tally_task_ = &tally_task(sr, 0);
 

From 7382b5d1c8b00342335b39159a00667ca8768b05 Mon Sep 17 00:00:00 2001
From: Lorenzo Chierici <l.chierici89@gmail.com>
Date: Mon, 12 May 2025 22:48:21 +0200
Subject: [PATCH 2307/2654] External transfer rates source term (#3088)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 docs/source/pythonapi/deplete.rst             |   5 +-
 openmc/deplete/abc.py                         | 110 ++++--
 openmc/deplete/chain.py                       |  70 +++-
 openmc/deplete/integrators.py                 |  56 +--
 openmc/deplete/pool.py                        |  59 ++-
 openmc/deplete/transfer_rates.py              | 355 ++++++++++++++----
 .../ref_depletion_with_ext_source.h5          | Bin 0 -> 37328 bytes
 .../ref_depletion_with_feed.h5                | Bin 37328 -> 37328 bytes
 .../ref_depletion_with_removal.h5             | Bin 37328 -> 37328 bytes
 .../ref_depletion_with_transfer.h5            | Bin 37328 -> 37328 bytes
 .../ref_no_depletion_only_feed.h5             | Bin 37328 -> 37328 bytes
 .../ref_no_depletion_only_removal.h5          | Bin 37328 -> 37328 bytes
 .../ref_no_depletion_with_ext_source.h5       | Bin 0 -> 37328 bytes
 .../ref_no_depletion_with_transfer.h5         | Bin 37328 -> 37328 bytes
 .../deplete_with_transfer_rates/test.py       |  45 ++-
 .../test_deplete_external_source_rates.py     | 170 +++++++++
 .../unit_tests/test_deplete_transfer_rates.py |  65 ++--
 17 files changed, 751 insertions(+), 184 deletions(-)
 create mode 100644 tests/regression_tests/deplete_with_transfer_rates/ref_depletion_with_ext_source.h5
 create mode 100644 tests/regression_tests/deplete_with_transfer_rates/ref_no_depletion_with_ext_source.h5
 create mode 100644 tests/unit_tests/test_deplete_external_source_rates.py

diff --git a/docs/source/pythonapi/deplete.rst b/docs/source/pythonapi/deplete.rst
index 3967f1a18..f112cf8cc 100644
--- a/docs/source/pythonapi/deplete.rst
+++ b/docs/source/pythonapi/deplete.rst
@@ -206,14 +206,15 @@ total system energy.
 The :class:`openmc.deplete.IndependentOperator` uses inner classes subclassed
 from those listed above to perform similar calculations.
 
-The following classes are used to define transfer rates to model continuous
-removal or feed of nuclides during depletion.
+The following classes are used to define external source rates or transfer rates
+to model continuous removal or feed of nuclides during depletion.
 
 .. autosummary::
    :toctree: generated
    :nosignatures:
    :template: myclass.rst
 
+   transfer_rates.ExternalSourceRates
    transfer_rates.TransferRates
 
 Intermediate Classes
diff --git a/openmc/deplete/abc.py b/openmc/deplete/abc.py
index ab087b98e..c304b8dc6 100644
--- a/openmc/deplete/abc.py
+++ b/openmc/deplete/abc.py
@@ -29,7 +29,7 @@ from .results import Results, _SECONDS_PER_MINUTE, _SECONDS_PER_HOUR, \
     _SECONDS_PER_DAY, _SECONDS_PER_JULIAN_YEAR
 from .pool import deplete
 from .reaction_rates import ReactionRates
-from .transfer_rates import TransferRates
+from .transfer_rates import TransferRates, ExternalSourceRates
 
 
 __all__ = [
@@ -607,9 +607,14 @@ class Integrator(ABC):
               next time step. Expected to be of the same shape as ``n0``
 
     transfer_rates : openmc.deplete.TransferRates
-        Instance of TransferRates class to perform continuous transfer during depletion
+        Transfer rates for the depletion system used to model continuous
+        removal/feed between materials.
 
         .. versionadded:: 0.14.0
+    external_source_rates : openmc.deplete.ExternalSourceRates
+        External source rates for the depletion system.
+
+        .. versionadded:: 0.15.3
 
     """
 
@@ -686,6 +691,7 @@ class Integrator(ABC):
         self.source_rates = np.asarray(source_rates)
 
         self.transfer_rates = None
+        self.external_source_rates = None
 
         if isinstance(solver, str):
             # Delay importing of cram module, which requires this file
@@ -731,11 +737,11 @@ class Integrator(ABC):
 
         self._solver = func
 
-    def _timed_deplete(self, n, rates, dt, matrix_func=None):
+    def _timed_deplete(self, n, rates, dt, i=None, matrix_func=None):
         start = time.time()
         results = deplete(
-            self._solver, self.chain, n, rates, dt, matrix_func,
-            self.transfer_rates)
+            self._solver, self.chain, n, rates, dt, i, matrix_func,
+            self.transfer_rates, self.external_source_rates)
         return time.time() - start, results
 
     @abstractmethod
@@ -885,13 +891,14 @@ class Integrator(ABC):
         self.operator.finalize()
 
     def add_transfer_rate(
-            self,
-            material: Union[str, int, Material],
-            components: Sequence[str],
-            transfer_rate: float,
-            transfer_rate_units: str = '1/s',
-            destination_material: Optional[Union[str, int, Material]] = None
-        ):
+        self,
+        material: str | int | Material,
+        components: Sequence[str],
+        transfer_rate: float,
+        transfer_rate_units: str = '1/s',
+        timesteps: Sequence[int] | None = None,
+        destination_material: str | int | Material | None = None
+    ):
         """Add transfer rates to depletable material.
 
         Parameters
@@ -905,18 +912,79 @@ class Integrator(ABC):
         transfer_rate : float
             Rate at which elements are transferred. A positive or negative values
             set removal of feed rates, respectively.
-        destination_material : openmc.Material or str or int, Optional
-            Destination material to where nuclides get fed.
         transfer_rate_units : {'1/s', '1/min', '1/h', '1/d', '1/a'}
             Units for values specified in the transfer_rate argument. 's' means
             seconds, 'min' means minutes, 'h' means hours, 'a' means Julian years.
+        timesteps : list of int, optional
+            List of timestep indices where to set external source rates.
+            Defaults to None, which means the external source rate is set for
+            all timesteps.
+        destination_material : openmc.Material or str or int, Optional
+            Destination material to where nuclides get fed.
 
         """
         if self.transfer_rates is None:
-            self.transfer_rates = TransferRates(self.operator, self.operator.model)
+            if hasattr(self.operator, 'model'):
+                materials = self.operator.model.materials
+            elif hasattr(self.operator, 'materials'):
+                materials = self.operator.materials
+            self.transfer_rates = TransferRates(
+                self.operator, materials, len(self.timesteps))
+
+        if self.external_source_rates is not None and destination_material:
+            raise ValueError('Currently is not possible to set a transfer rate '
+                             'with destination matrial in combination with '
+                             'external source rates.')
+
+        self.transfer_rates.set_transfer_rate(
+            material, components, transfer_rate, transfer_rate_units,
+            timesteps, destination_material)
+
+    def add_external_source_rate(
+        self,
+        material: str | int | Material,
+        composition: dict[str, float],
+        rate: float,
+        rate_units: str = 'g/s',
+        timesteps: Sequence[int] | None = None
+    ):
+        """Add external source rates to depletable material.
+
+        Parameters
+        ----------
+        material : openmc.Material or str or int
+            Depletable material
+        composition : dict of str to float
+            External source rate composition vector, where key can be an element
+            or a nuclide and value the corresponding weight percent.
+        rate : float
+            External source rate in units of mass per time. A positive or
+            negative value corresponds to a feed or removal rate, respectively.
+        units : {'g/s', 'g/min', 'g/h', 'g/d', 'g/a'}
+            Units for values specified in the `rate` argument. 's' for seconds,
+            'min' for minutes, 'h' for hours, 'a' for Julian years.
+        timesteps : list of int, optional
+            List of timestep indices where to set external source rates.
+            Defaults to None, which means the external source rate is set for
+            all timesteps.
+
+        """
+        if self.external_source_rates is None:
+            if hasattr(self.operator, 'model'):
+                materials = self.operator.model.materials
+            elif hasattr(self.operator, 'materials'):
+                materials = self.operator.materials
+            self.external_source_rates = ExternalSourceRates(
+                self.operator, materials, len(self.timesteps))
+
+        if self.transfer_rates is not None and self.transfer_rates.index_transfer:
+            raise ValueError('Currently is not possible to set an external '
+                             'source rate in combination with transfer rates '
+                             'with destination matrial.')
+
+        self.external_source_rates.set_external_source_rate(
+            material, composition, rate, rate_units, timesteps)
 
-        self.transfer_rates.set_transfer_rate(material, components, transfer_rate,
-                                      transfer_rate_units, destination_material)
 
 @add_params
 class SIIntegrator(Integrator):
@@ -1047,10 +1115,10 @@ class SIIntegrator(Integrator):
         return inherited
 
     def integrate(
-            self,
-            output: bool = True,
-            path: PathLike = "depletion_results.h5"
-        ):
+        self,
+        output: bool = True,
+        path: PathLike = "depletion_results.h5"
+    ):
         """Perform the entire depletion process across all steps
 
         Parameters
diff --git a/openmc/deplete/chain.py b/openmc/deplete/chain.py
index 4998a2c3d..9f234683a 100644
--- a/openmc/deplete/chain.py
+++ b/openmc/deplete/chain.py
@@ -703,7 +703,7 @@ class Chain:
         # Return CSC representation instead of DOK
         return matrix.tocsc()
 
-    def form_rr_term(self, tr_rates, mats):
+    def form_rr_term(self, tr_rates, current_timestep, mats):
         """Function to form the transfer rate term matrices.
 
         .. versionadded:: 0.14.0
@@ -712,6 +712,8 @@ class Chain:
         ----------
         tr_rates : openmc.deplete.TransferRates
             Instance of openmc.deplete.TransferRates
+        current_timestep : int
+            Current timestep index
         mats : string or two-tuple of strings
             Two cases are possible:
 
@@ -740,32 +742,74 @@ class Chain:
 
         for i, nuc in enumerate(self.nuclides):
             elm = re.split(r'\d+', nuc.name)[0]
-            # Build transfer terms matrices
+            # Build transfer terms (nuclide transfer only)
             if isinstance(mats, str):
                 mat = mats
-                components = tr_rates.get_components(mat)
+                components = tr_rates.get_components(mat, current_timestep)
+                if not components:
+                    break
                 if elm in components:
-                    matrix[i, i] = sum(tr_rates.get_transfer_rate(mat, elm))
+                    matrix[i, i] = sum(
+                        tr_rates.get_external_rate(mat, elm, current_timestep))
                 elif nuc.name in components:
-                    matrix[i, i] = sum(tr_rates.get_transfer_rate(mat, nuc.name))
+                    matrix[i, i] = sum(
+                        tr_rates.get_external_rate(mat, nuc.name, current_timestep))
                 else:
                     matrix[i, i] = 0.0
-            #Build transfer terms matrices
+
+            # Build transfer terms (transfer from one material into another)
             elif isinstance(mats, tuple):
                 dest_mat, mat = mats
-                if dest_mat in tr_rates.get_destination_material(mat, elm):
-                    dest_mat_idx = tr_rates.get_destination_material(mat, elm).index(dest_mat)
-                    matrix[i, i] = tr_rates.get_transfer_rate(mat, elm)[dest_mat_idx]
-                elif dest_mat in tr_rates.get_destination_material(mat, nuc.name):
-                    dest_mat_idx = tr_rates.get_destination_material(mat, nuc.name).index(dest_mat)
-                    matrix[i, i] = tr_rates.get_transfer_rate(mat, nuc.name)[dest_mat_idx]
+                components = tr_rates.get_components(mat, current_timestep, dest_mat)
+                if elm in components:
+                    matrix[i, i] = tr_rates.get_external_rate(
+                        mat, elm, current_timestep, dest_mat)[0]
+                elif nuc.name in components:
+                    matrix[i, i] = tr_rates.get_external_rate(
+                        mat, nuc.name, current_timestep, dest_mat)[0]
                 else:
                     matrix[i, i] = 0.0
-            #Nothing else is allowed
 
         # Return CSC instead of DOK
         return matrix.tocsc()
 
+    def form_ext_source_term(self, ext_source_rates, current_timestep, mat):
+        """Function to form the external source rate term vectors.
+
+        .. versionadded:: 0.15.3
+
+        Parameters
+        ----------
+        ext_source_rates : openmc.deplete.ExternalSourceRates
+            Instance of openmc.deplete.ExternalSourceRates
+        current_timestep : int
+            Current timestep index
+        mat : string
+            Material id
+
+        Returns
+        -------
+        scipy.sparse.csc_matrix
+            Sparse vector representing external source term.
+
+        """
+        if not ext_source_rates.get_components(mat, current_timestep):
+            return
+        # Use DOK as intermediate representation
+        n = len(self)
+        vector = sp.dok_matrix((n, 1))
+
+        for i, nuc in enumerate(self.nuclides):
+            # Build source term vector
+            if nuc.name in ext_source_rates.get_components(mat, current_timestep):
+                vector[i] = sum(ext_source_rates.get_external_rate(
+                    mat, nuc.name, current_timestep))
+            else:
+                vector[i] = 0.0
+
+        # Return CSC instead of DOK
+        return vector.tocsc()
+
     def get_branch_ratios(self, reaction="(n,gamma)"):
         """Return a dictionary with reaction branching ratios
 
diff --git a/openmc/deplete/integrators.py b/openmc/deplete/integrators.py
index 50810c88a..000cb2c41 100644
--- a/openmc/deplete/integrators.py
+++ b/openmc/deplete/integrators.py
@@ -40,8 +40,8 @@ class PredictorIntegrator(Integrator):
             Time in [s] for the entire depletion interval
         source_rate : float
             Power in [W] or source rate in [neutron/sec]
-        _i : int or None
-            Iteration index. Not used
+        _i : int, optional
+            Current iteration count. Not used
 
         Returns
         -------
@@ -54,7 +54,7 @@ class PredictorIntegrator(Integrator):
             with predictor
 
         """
-        proc_time, n_end = self._timed_deplete(n, rates, dt)
+        proc_time, n_end = self._timed_deplete(n, rates, dt, _i)
         return proc_time, [n_end], []
 
 
@@ -106,12 +106,12 @@ class CECMIntegrator(Integrator):
             Eigenvalue and reaction rates from transport simulations
         """
         # deplete across first half of interval
-        time0, n_middle = self._timed_deplete(n, rates, dt / 2)
+        time0, n_middle = self._timed_deplete(n, rates, dt / 2, _i)
         res_middle = self.operator(n_middle, source_rate)
 
         # deplete across entire interval with BOS concentrations,
         # MOS reaction rates
-        time1, n_end = self._timed_deplete(n, res_middle.rates, dt)
+        time1, n_end = self._timed_deplete(n, res_middle.rates, dt, _i)
 
         return time0 + time1, [n_middle, n_end], [res_middle]
 
@@ -172,26 +172,26 @@ class CF4Integrator(Integrator):
         """
         # Step 1: deplete with matrix 1/2*A(y0)
         time1, n_eos1 = self._timed_deplete(
-            n_bos, bos_rates, dt, matrix_func=cf4_f1)
+            n_bos, bos_rates, dt, _i, matrix_func=cf4_f1)
         res1 = self.operator(n_eos1, source_rate)
 
         # Step 2: deplete with matrix 1/2*A(y1)
         time2, n_eos2 = self._timed_deplete(
-            n_bos, res1.rates, dt, matrix_func=cf4_f1)
+            n_bos, res1.rates, dt, _i, matrix_func=cf4_f1)
         res2 = self.operator(n_eos2, source_rate)
 
         # Step 3: deplete with matrix -1/2*A(y0)+A(y2)
         list_rates = list(zip(bos_rates, res2.rates))
         time3, n_eos3 = self._timed_deplete(
-            n_eos1, list_rates, dt, matrix_func=cf4_f2)
+            n_eos1, list_rates, dt, _i, matrix_func=cf4_f2)
         res3 = self.operator(n_eos3, source_rate)
 
         # Step 4: deplete with two matrix exponentials
         list_rates = list(zip(bos_rates, res1.rates, res2.rates, res3.rates))
         time4, n_inter = self._timed_deplete(
-            n_bos, list_rates, dt, matrix_func=cf4_f3)
+            n_bos, list_rates, dt, _i, matrix_func=cf4_f3)
         time5, n_eos5 = self._timed_deplete(
-            n_inter, list_rates, dt, matrix_func=cf4_f4)
+            n_inter, list_rates, dt, _i, matrix_func=cf4_f4)
 
         return (time1 + time2 + time3 + time4 + time5,
                 [n_eos1, n_eos2, n_eos3, n_eos5],
@@ -249,17 +249,17 @@ class CELIIntegrator(Integrator):
             simulation
         """
         # deplete to end using BOS rates
-        proc_time, n_ce = self._timed_deplete(n_bos, rates, dt)
+        proc_time, n_ce = self._timed_deplete(n_bos, rates, dt, _i)
         res_ce = self.operator(n_ce, source_rate)
 
         # deplete using two matrix exponentials
         list_rates = list(zip(rates, res_ce.rates))
 
         time_le1, n_inter = self._timed_deplete(
-            n_bos, list_rates, dt, matrix_func=celi_f1)
+            n_bos, list_rates, dt, _i, matrix_func=celi_f1)
 
         time_le2, n_end = self._timed_deplete(
-            n_inter, list_rates, dt, matrix_func=celi_f2)
+            n_inter, list_rates, dt, _i, matrix_func=celi_f2)
 
         return proc_time + time_le1 + time_le1, [n_ce, n_end], [res_ce]
 
@@ -316,20 +316,20 @@ class EPCRK4Integrator(Integrator):
         """
 
         # Step 1: deplete with matrix A(y0) / 2
-        time1, n1 = self._timed_deplete(n, rates, dt, matrix_func=rk4_f1)
+        time1, n1 = self._timed_deplete(n, rates, dt, _i, matrix_func=rk4_f1)
         res1 = self.operator(n1, source_rate)
 
         # Step 2: deplete with matrix A(y1) / 2
-        time2, n2 = self._timed_deplete(n, res1.rates, dt, matrix_func=rk4_f1)
+        time2, n2 = self._timed_deplete(n, res1.rates, dt, _i, matrix_func=rk4_f1)
         res2 = self.operator(n2, source_rate)
 
         # Step 3: deplete with matrix A(y2)
-        time3, n3 = self._timed_deplete(n, res2.rates, dt)
+        time3, n3 = self._timed_deplete(n, res2.rates, dt, _i)
         res3 = self.operator(n3, source_rate)
 
         # Step 4: deplete with matrix built from weighted rates
         list_rates = list(zip(rates, res1.rates, res2.rates, res3.rates))
-        time4, n4 = self._timed_deplete(n, list_rates, dt, matrix_func=rk4_f4)
+        time4, n4 = self._timed_deplete(n, list_rates, dt, _i, matrix_func=rk4_f4)
 
         return (time1 + time2 + time3 + time4, [n1, n2, n3, n4], [res1, res2, res3])
 
@@ -414,9 +414,9 @@ class LEQIIntegrator(Integrator):
             self._prev_rates, bos_res.rates, repeat(prev_dt), repeat(dt)))
 
         time1, n_inter = self._timed_deplete(
-            n_bos, le_inputs, dt, matrix_func=leqi_f1)
+            n_bos, le_inputs, dt, i, matrix_func=leqi_f1)
         time2, n_eos0 = self._timed_deplete(
-            n_inter, le_inputs, dt, matrix_func=leqi_f2)
+            n_inter, le_inputs, dt, i, matrix_func=leqi_f2)
 
         res_inter = self.operator(n_eos0, source_rate)
 
@@ -425,9 +425,9 @@ class LEQIIntegrator(Integrator):
             repeat(prev_dt), repeat(dt)))
 
         time3, n_inter = self._timed_deplete(
-            n_bos, qi_inputs, dt, matrix_func=leqi_f3)
+            n_bos, qi_inputs, dt, i, matrix_func=leqi_f3)
         time4, n_eos1 = self._timed_deplete(
-            n_inter, qi_inputs, dt, matrix_func=leqi_f4)
+            n_inter, qi_inputs, dt, i, matrix_func=leqi_f4)
 
         # store updated rates
         self._prev_rates = copy.deepcopy(bos_res.rates)
@@ -478,7 +478,7 @@ class SICELIIntegrator(SIIntegrator):
             Eigenvalue and reaction rates from intermediate transport
             simulations
         """
-        proc_time, n_eos = self._timed_deplete(n_bos, bos_rates, dt)
+        proc_time, n_eos = self._timed_deplete(n_bos, bos_rates, dt, _i)
         n_inter = copy.deepcopy(n_eos)
 
         # Begin iteration
@@ -494,9 +494,9 @@ class SICELIIntegrator(SIIntegrator):
 
             list_rates = list(zip(bos_rates, res_bar.rates))
             time1, n_inter = self._timed_deplete(
-                n_bos, list_rates, dt, matrix_func=celi_f1)
+                n_bos, list_rates, dt, _i, matrix_func=celi_f1)
             time2, n_inter = self._timed_deplete(
-                n_inter, list_rates, dt, matrix_func=celi_f2)
+                n_inter, list_rates, dt, _i, matrix_func=celi_f2)
             proc_time += time1 + time2
 
         # end iteration
@@ -560,9 +560,9 @@ class SILEQIIntegrator(SIIntegrator):
         inputs = list(zip(self._prev_rates, bos_rates,
                           repeat(prev_dt), repeat(dt)))
         proc_time, n_inter = self._timed_deplete(
-            n_bos, inputs, dt, matrix_func=leqi_f1)
+            n_bos, inputs, dt, i, matrix_func=leqi_f1)
         time1, n_eos = self._timed_deplete(
-            n_inter, inputs, dt, matrix_func=leqi_f2)
+            n_inter, inputs, dt, i, matrix_func=leqi_f2)
 
         proc_time += time1
         n_inter = copy.deepcopy(n_eos)
@@ -580,9 +580,9 @@ class SILEQIIntegrator(SIIntegrator):
             inputs = list(zip(self._prev_rates, bos_rates, res_bar.rates,
                               repeat(prev_dt), repeat(dt)))
             time1, n_inter = self._timed_deplete(
-                n_bos, inputs, dt, matrix_func=leqi_f3)
+                n_bos, inputs, dt, i, matrix_func=leqi_f3)
             time2, n_inter = self._timed_deplete(
-                n_inter, inputs, dt, matrix_func=leqi_f4)
+                n_inter, inputs, dt, i, matrix_func=leqi_f4)
             proc_time += time1 + time2
 
         return proc_time, [n_eos, n_inter], [res_bar]
diff --git a/openmc/deplete/pool.py b/openmc/deplete/pool.py
index 27ecaa4dd..03b050af3 100644
--- a/openmc/deplete/pool.py
+++ b/openmc/deplete/pool.py
@@ -5,7 +5,7 @@ Provided to avoid some circular imports
 from itertools import repeat, starmap
 from multiprocessing import Pool
 
-from scipy.sparse import bmat
+from scipy.sparse import bmat, hstack, vstack, csc_matrix
 import numpy as np
 
 from openmc.mpi import comm
@@ -40,8 +40,8 @@ def _distribute(items):
             return items[j:j + chunk_size]
         j += chunk_size
 
-def deplete(func, chain, n, rates, dt, matrix_func=None, transfer_rates=None,
-            *matrix_args):
+def deplete(func, chain, n, rates, dt, current_timestep=None, matrix_func=None,
+            transfer_rates=None, external_source_rates=None, *matrix_args):
     """Deplete materials using given reaction rates for a specified time
 
     Parameters
@@ -58,15 +58,21 @@ def deplete(func, chain, n, rates, dt, matrix_func=None, transfer_rates=None,
         Reaction rates (from transport operator)
     dt : float
         Time in [s] to deplete for
+    current_timestep : int
+        Current timestep index
     maxtrix_func : callable, optional
         Function to form the depletion matrix after calling ``matrix_func(chain,
         rates, fission_yields)``, where ``fission_yields = {parent: {product:
         yield_frac}}`` Expected to return the depletion matrix required by
         ``func``
     transfer_rates : openmc.deplete.TransferRates, Optional
-        Object to perform continuous reprocessing.
+        Transfer rates for continuous removal/feed.
 
         .. versionadded:: 0.14.0
+    external_source_rates : openmc.deplete.ExternalSourceRates, Optional
+        External source rates for continuous removal/feed.
+
+        .. versionadded:: 0.15.3
     matrix_args: Any, optional
         Additional arguments passed to matrix_func
 
@@ -93,15 +99,17 @@ def deplete(func, chain, n, rates, dt, matrix_func=None, transfer_rates=None,
         matrices = map(matrix_func, repeat(chain), rates, fission_yields,
                        *matrix_args)
 
-    if transfer_rates is not None:
+    if (transfer_rates is not None and
+        current_timestep in transfer_rates.external_timesteps):
         # Calculate transfer rate terms as diagonal matrices
         transfers = map(chain.form_rr_term, repeat(transfer_rates),
-                        transfer_rates.local_mats)
+                        repeat(current_timestep), transfer_rates.local_mats)
+
         # Subtract transfer rate terms from Bateman matrices
         matrices = [matrix - transfer for (matrix, transfer) in zip(matrices,
                                                                     transfers)]
 
-        if len(transfer_rates.index_transfer) > 0:
+        if current_timestep in transfer_rates.index_transfer:
             # Gather all on comm.rank 0
             matrices = comm.gather(matrices)
             n = comm.gather(n)
@@ -112,10 +120,12 @@ def deplete(func, chain, n, rates, dt, matrix_func=None, transfer_rates=None,
                 n = [n_elm for n_mat in n for  n_elm in n_mat]
 
                 # Calculate transfer rate terms as diagonal matrices
-                transfer_pair = {
-                    mat_pair: chain.form_rr_term(transfer_rates, mat_pair)
-                    for mat_pair in transfer_rates.index_transfer
-                }
+                transfer_pair = {}
+                for mat_pair in transfer_rates.index_transfer[current_timestep]:
+                    transfer_matrix = chain.form_rr_term(transfer_rates,
+                                                         current_timestep,
+                                                         mat_pair)
+                    transfer_pair[mat_pair] = transfer_matrix
 
                 # Combine all matrices together in a single matrix of matrices
                 # to be solved in one go
@@ -129,7 +139,7 @@ def deplete(func, chain, n, rates, dt, matrix_func=None, transfer_rates=None,
                         if row == col:
                             # Fill the diagonals with the Bateman matrices
                             cols.append(matrices[row])
-                        elif mat_pair in transfer_rates.index_transfer:
+                        elif mat_pair in transfer_rates.index_transfer[current_timestep]:
                             # Fill the off-diagonals with the transfer pair matrices
                             cols.append(transfer_pair[mat_pair])
                         else:
@@ -155,6 +165,25 @@ def deplete(func, chain, n, rates, dt, matrix_func=None, transfer_rates=None,
 
             return n_result
 
+    if (external_source_rates is not None and
+        current_timestep in external_source_rates.external_timesteps):
+        # Calculate external source term vectors
+        sources = map(chain.form_ext_source_term, repeat(external_source_rates),
+                      repeat(current_timestep), external_source_rates.local_mats)
+
+        # stack vector column at the end of the matrix
+        matrices = [
+            hstack([matrix, source])
+            for matrix, source in zip(matrices, sources)
+        ]
+
+        # Add a last row of zeroes to the matrices and append 1 to the last row
+        # of the nuclide vectors
+        for i, matrix in enumerate(matrices):
+            if not np.equal(*matrix.shape):
+                matrices[i] = vstack([matrix, csc_matrix([0]*matrix.shape[1])])
+                n[i] = np.append(n[i], 1.0)
+
     inputs = zip(matrices, n, repeat(dt))
 
     if USE_MULTIPROCESSING:
@@ -163,4 +192,10 @@ def deplete(func, chain, n, rates, dt, matrix_func=None, transfer_rates=None,
     else:
         n_result = list(starmap(func, inputs))
 
+    # Remove extra value at the end of the nuclide vectors
+    if (external_source_rates is not None and
+        current_timestep in external_source_rates.external_timesteps):
+        external_source_rates.reformat_nuclide_vectors(n)
+        external_source_rates.reformat_nuclide_vectors(n_result)
+
     return n_result
diff --git a/openmc/deplete/transfer_rates.py b/openmc/deplete/transfer_rates.py
index 01c9b2e35..4c28c7d15 100644
--- a/openmc/deplete/transfer_rates.py
+++ b/openmc/deplete/transfer_rates.py
@@ -1,31 +1,31 @@
+from collections import defaultdict
 from numbers import Real
 import re
+from typing import Sequence
+
+import numpy as np
 
 from openmc.checkvalue import check_type, check_value
 from openmc import Material
-from openmc.data import ELEMENT_SYMBOL
+from openmc.data import ELEMENT_SYMBOL, isotopes, AVOGADRO, atomic_mass
+from .results import _SECONDS_PER_MINUTE, _SECONDS_PER_HOUR, \
+    _SECONDS_PER_DAY, _SECONDS_PER_JULIAN_YEAR
 
 
-class TransferRates:
-    """Class for defining continuous removals and feeds.
 
-    Molten Salt Reactors (MSRs) benefit from continuous reprocessing,
-    which removes fission products and feeds fresh fuel into the system. MSRs
-    inspired the development of this class.
+class ExternalRates:
+    """External rates class for defining addition terms of depletion equation.
 
-    An instance of this class can be passed directly to an instance of one of
-    the :class:`openmc.deplete.Integrator` classes.
-
-    .. versionadded:: 0.14.0
+    .. versionadded:: 0.15.3
 
     Parameters
     ----------
     operator : openmc.TransportOperator
         Depletion operator
-    model : openmc.Model
-        OpenMC model containing materials and geometry. If using
-        :class:`openmc.deplete.CoupledOperator`, the model must also contain
-        a :class:`opnemc.Settings` object.
+    materials : openmc.Materials
+        OpenMC materials.
+    number_of_timesteps : int
+        Total number of depletion timesteps
 
     Attributes
     ----------
@@ -33,22 +33,25 @@ class TransferRates:
         All burnable material IDs.
     local_mats : list of str
         All burnable material IDs being managed by a single process
-    transfer_rates : dict of str to dict
-        Container of transfer rates, components (elements and/or nuclides) and
-        destination material
-    index_transfer : Set of pair of str
-        Pair of strings needed to build final matrix (destination_material, mat)
+    number_of_timesteps : int
+        Total number of depletion timesteps
+    external_rates : dict of str to dict
+        Container of timesteps, external rates, components (elements and/or
+        nuclides) and optionally destination material
+    external_timesteps : list of int
+        Container of all timesteps indeces with an external rate defined.
     """
 
-    def __init__(self, operator, model):
+    def __init__(self, operator, materials, number_of_timesteps):
 
-        self.materials = model.materials
+        self.materials = materials
         self.burnable_mats = operator.burnable_mats
         self.local_mats = operator.local_mats
+        self.number_of_timesteps = number_of_timesteps
 
-        #initialize transfer rates container dict
-        self.transfer_rates = {mat: {} for mat in self.burnable_mats}
-        self.index_transfer = set()
+        # initialize transfer rates container dict
+        self.external_rates = {mat: defaultdict(list) for mat in self.burnable_mats}
+        self.external_timesteps = []
 
     def _get_material_id(self, val):
         """Helper method for getting material id from Material obj or name.
@@ -71,7 +74,7 @@ class TransferRates:
                 check_value('Material ID', str(val), self.burnable_mats)
             else:
                 check_value('Material name', val,
-                        [mat.name for mat in self.materials if mat.depletable])
+                            [mat.name for mat in self.materials if mat.depletable])
                 val = [mat.id for mat in self.materials if mat.name == val][0]
 
         elif isinstance(val, int):
@@ -79,7 +82,13 @@ class TransferRates:
 
         return str(val)
 
-    def get_transfer_rate(self, material, component):
+    def get_external_rate(
+        self,
+        material: str | int | Material,
+        component: str,
+        timestep: int,
+        destination_material: str | int | Material | None = None
+    ):
         """Return transfer rate for given material and element.
 
         Parameters
@@ -88,62 +97,114 @@ class TransferRates:
             Depletable material
         component : str
             Element or nuclide to get transfer rate value
+        timestep : int
+            Current timestep index
+        destination_material : openmc.Material or str or int, Optional
+            Destination material to where nuclides get fed
 
         Returns
         -------
-        transfer_rate : list of floats
-            Transfer rate values
+        external_rate : list of floats
+            External rate values
 
         """
         material_id = self._get_material_id(material)
         check_type('component', component, str)
-        return [i[0] for i in self.transfer_rates[material_id][component]]
-
-    def get_destination_material(self, material, component):
-        """Return destination material for given material and
-        component, if defined.
-
-        Parameters
-        ----------
-        material : openmc.Material or str or int
-            Depletable material
-        component : str
-            Element or nuclide that gets transferred to another material.
-
-        Returns
-        -------
-        destination_material_id : list of str
-            Depletable material ID to where the element or nuclide gets
-            transferred
-
-        """
-        material_id = self._get_material_id(material)
-        check_type('component', component, str)
-        if component in self.transfer_rates[material_id]:
-            return [i[1] for i in self.transfer_rates[material_id][component]]
+        if destination_material is not None:
+            dest_mat_id = self._get_material_id(destination_material)
+            return [i[1] for i in self.external_rates[material_id][component]
+                    if timestep in i[0] and dest_mat_id == i[2]]
         else:
-            return []
+            return [i[1] for i in self.external_rates[material_id][component]
+                    if timestep in i[0]]
 
-    def get_components(self, material):
-        """Extract removing elements and/or nuclides for a given material
+    def get_components(self, material, timestep, destination_material=None):
+        """Extract removing elements and/or nuclides for a given material at a
+        given timestep
 
         Parameters
         ----------
         material : openmc.Material or str or int
             Depletable material
+        timestep : int
+            Current timestep index
+        destination_material : openmc.Material or str or int, Optional
+            Destination material to where nuclides get fed
 
         Returns
         -------
-        elements : list
-            List of elements and nuclides where transfer rates exist
+        components : list
+            List of elements or nuclides with external rates set at a given
+            timestep
 
         """
         material_id = self._get_material_id(material)
-        if material_id in self.transfer_rates:
-            return self.transfer_rates[material_id].keys()
+        if destination_material is not None:
+            dest_mat_id = self._get_material_id(destination_material)
+        else:
+            dest_mat_id = None
+
+        all_components = []
+        if material_id in self.external_rates:
+            mat_components = self.external_rates[material_id]
+
+            for component in mat_components:
+                if dest_mat_id:
+                    # check for both timestep and destination material ids
+                    if np.isin(timestep, [val[0] for val in mat_components[component]]) and \
+                       np.isin(dest_mat_id, [val[2] for val in mat_components[component]]):
+                        all_components.append(component)
+                else:
+                    # check only for timesteps
+                    if np.isin(timestep, [val[0] for val in mat_components[component]]):
+                        all_components.append(component)
+        return all_components
+
+
+class TransferRates(ExternalRates):
+    """Class for defining continuous removals and feeds.
+
+    Molten Salt Reactors (MSRs) benefit from continuous reprocessing,
+    which removes fission products and feeds fresh fuel into the system. MSRs
+    inspired the development of this class.
+
+    An instance of this class can be passed directly to an instance of one of
+    the :class:`openmc.deplete.Integrator` classes.
+
+    .. versionadded:: 0.14.0
+
+    Parameters
+    ----------
+    operator : openmc.TransportOperator
+        Depletion operator
+    materials : openmc.Materials
+        OpenMC materials.
+    number_of_timesteps : int
+        Total number of depletion timesteps
+
+    Attributes
+    ----------
+    burnable_mats : list of str
+        All burnable material IDs.
+    local_mats : list of str
+        All burnable material IDs being managed by a single process
+    external_rates : dict of str to dict
+        Container of timesteps, transfer rates, components (elements and/or
+        nuclides) and destination material
+    external_timesteps : list of int
+        Container of all timesteps indeces with an external rate defined.
+    index_transfer : Set of pair of str
+        Pair of strings needed to build final matrix (destination_material, mat)
+    """
+
+    def __init__(self, operator, materials, number_of_timesteps):
+        super().__init__(operator, materials, number_of_timesteps)
+        self.index_transfer = defaultdict(list)
+        self.chain_nuclides = [nuc.name for nuc in operator.chain.nuclides]
 
     def set_transfer_rate(self, material, components, transfer_rate,
-                          transfer_rate_units='1/s', destination_material=None):
+                          transfer_rate_units='1/s', timesteps=None,
+                          destination_material=None):
         """Set element and/or nuclide transfer rates in a depletable material.
 
         Parameters
@@ -157,11 +218,14 @@ class TransferRates:
         transfer_rate : float
             Rate at which elements and/or nuclides are transferred. A positive or
             negative value corresponds to a removal or feed rate, respectively.
-        destination_material : openmc.Material or str or int, Optional
-            Destination material to where nuclides get fed.
         transfer_rate_units : {'1/s', '1/min', '1/h', '1/d', '1/a'}
             Units for values specified in the transfer_rate argument. 's' for
             seconds, 'min' for minutes, 'h' for hours, 'a' for Julian years.
+        timesteps : list of int, Optional
+            List of timestep indeces where to set transfer rates.
+            Default to None means the transfer rate is set for all timesteps.
+        destination_material : openmc.Material or str or int, Optional
+            Destination material to where nuclides get fed.
 
         """
         material_id = self._get_material_id(material)
@@ -183,19 +247,25 @@ class TransferRates:
         if transfer_rate_units in ('1/s', '1/sec'):
             unit_conv = 1
         elif transfer_rate_units in ('1/min', '1/minute'):
-            unit_conv = 60
+            unit_conv = _SECONDS_PER_MINUTE
         elif transfer_rate_units in ('1/h', '1/hr', '1/hour'):
-            unit_conv = 60*60
+            unit_conv = _SECONDS_PER_HOUR
         elif transfer_rate_units in ('1/d', '1/day'):
-            unit_conv = 24*60*60
+            unit_conv = _SECONDS_PER_DAY
         elif transfer_rate_units in ('1/a', '1/year'):
-            unit_conv = 365.25*24*60*60
+            unit_conv = _SECONDS_PER_JULIAN_YEAR
         else:
-            raise ValueError('Invalid transfer rate unit '
-                             f'"{transfer_rate_units}"')
+            raise ValueError(f'Invalid transfer rate unit "{transfer_rate_units}"')
+
+        if timesteps is not None:
+            for timestep in timesteps:
+                check_value('timestep', timestep, range(self.number_of_timesteps))
+            timesteps = np.array(timesteps)
+        else:
+            timesteps = np.arange(self.number_of_timesteps)
 
         for component in components:
-            current_components = self.transfer_rates[material_id].keys()
+            current_components = self.external_rates[material_id].keys()
             split_component = re.split(r'\d+', component)
             element = split_component[0]
             if element not in ELEMENT_SYMBOL.values():
@@ -219,11 +289,144 @@ class TransferRates:
                                          f'where element {element} already has '
                                          'a transfer rate.')
 
-            if component in self.transfer_rates[material_id]:
-                self.transfer_rates[material_id][component].append(
-                    (transfer_rate / unit_conv, destination_material_id))
-            else:
-                self.transfer_rates[material_id][component] = [
-                    (transfer_rate / unit_conv, destination_material_id)]
+            self.external_rates[material_id][component].append(
+                (timesteps, transfer_rate/unit_conv, destination_material_id))
+
             if destination_material_id is not None:
-                self.index_transfer.add((destination_material_id, material_id))
+                for timestep in timesteps:
+                    self.index_transfer[timestep].append(
+                        (destination_material_id, material_id))
+
+            self.external_timesteps = np.unique(np.concatenate(
+                    [self.external_timesteps, timesteps]))
+
+
+class ExternalSourceRates(ExternalRates):
+    """Class for defining external source rates.
+
+    An instance of this class can be passed directly to an instance of one of
+    the :class:`openmc.deplete.Integrator` classes.
+
+    .. versionadded:: 0.15.3
+
+    Parameters
+    ----------
+    operator : openmc.TransportOperator
+        Depletion operator
+    materials : openmc.Materials
+        OpenMC materials.
+    number_of_timesteps : int
+        Total number of depletion timesteps
+
+    Attributes
+    ----------
+    burnable_mats : list of str
+        All burnable material IDs.
+    local_mats : list of str
+        All burnable material IDs being managed by a single process
+    external_timesteps : list of int
+        Container of all timesteps indeces with an external rate defined.
+    external_rates : dict of str to dict
+        Container of timesteps external source rates, and components
+        (elements and/or nuclides)
+    """
+
+    def reformat_nuclide_vectors(self, vectors):
+        """Remove last element of nuclide vector that was added for handling
+        external source rates by the depletion solver.
+
+        Parameters
+        ----------
+        vectors : list of array
+            List of nuclides vector to reformat
+
+        """
+        for mat_index, i in enumerate(self.local_mats):
+            if self.external_rates[i]:
+                vectors[mat_index] = vectors[mat_index][:-1]
+
+    def set_external_source_rate(
+        self,
+        material: str | int | Material,
+        composition: dict[str, float],
+        rate: float,
+        rate_units: str = 'g/s',
+        timesteps: Sequence[int] | None = None
+    ):
+        """Set element and/or nuclide composition vector external source rates
+        to a depletable material.
+
+        Parameters
+        ----------
+        material : openmc.Material or str or int
+            Depletable material
+        composition : dict of str to float
+            External source rate composition vector, where key can be an element
+            or a nuclide and value the corresponding weight percent.
+        rate : float
+            External source rate in units of mass per time. A positive or
+            negative value corresponds to a feed or removal rate, respectively.
+        units : {'g/s', 'g/min', 'g/h', 'g/d', 'g/a'}
+            Units for values specified in the `rate` argument. 's' for seconds,
+            'min' for minutes, 'h' for hours, 'a' for Julian years.
+        timesteps : list of int, optional
+            List of timestep indices where to set external source rates. Default
+            to None, which means the external source rate is set for all
+            timesteps.
+
+        """
+
+        material_id = self._get_material_id(material)
+        check_type('rate', rate, Real)
+        check_type('composition', composition, dict, str)
+
+        if rate_units in ('g/s', 'g/sec'):
+            unit_conv = 1
+        elif rate_units in ('g/min', 'g/minute'):
+            unit_conv = _SECONDS_PER_MINUTE
+        elif rate_units in ('g/h', 'g/hr', 'g/hour'):
+            unit_conv = _SECONDS_PER_HOUR
+        elif rate_units in ('g/d', 'g/day'):
+            unit_conv = _SECONDS_PER_DAY
+        elif rate_units in ('g/a', 'g/year'):
+            unit_conv = _SECONDS_PER_JULIAN_YEAR
+        else:
+            raise ValueError(f'Invalid external source rate unit "{rate_units}"')
+
+        if timesteps is not None:
+            for timestep in timesteps:
+                check_value('timestep', timestep, range(self.number_of_timesteps))
+            timesteps = np.asarray(timesteps)
+        else:
+            timesteps = np.arange(self.number_of_timesteps)
+
+        components = composition.keys()
+        percents = composition.values()
+        norm_percents = [float(i) / sum(percents) for i in percents]
+
+        atoms_per_nuc = {}
+        for component, percent in zip(components, norm_percents):
+            split_component = re.split(r'\d+', component)
+            element = split_component[0]
+            if element not in ELEMENT_SYMBOL.values():
+                raise ValueError(f'{component} is not a valid nuclide or element.')
+
+            if len(split_component) == 1:
+                if not isotopes(component):
+                    raise ValueError(f'Cannot add element {component} '
+                                     'as it is not naturally abundant. '
+                                     'Specify a nuclide vector instead.')
+                for nuc, frac in isotopes(component):
+                    atoms_per_nuc[nuc] = (rate / atomic_mass(nuc) * AVOGADRO *
+                                          frac * percent / unit_conv)
+
+            else:
+                atoms_per_nuc[component] = (rate / atomic_mass(component) *
+                                            AVOGADRO * percent / unit_conv)
+
+        for nuc, val in atoms_per_nuc.items():
+            self.external_rates[material_id][nuc].append((timesteps, val, None))
+
+        self.external_timesteps = np.unique(np.concatenate(
+            [self.external_timesteps, timesteps]
+        ))
diff --git a/tests/regression_tests/deplete_with_transfer_rates/ref_depletion_with_ext_source.h5 b/tests/regression_tests/deplete_with_transfer_rates/ref_depletion_with_ext_source.h5
new file mode 100644
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diff --git a/tests/regression_tests/deplete_with_transfer_rates/ref_depletion_with_feed.h5 b/tests/regression_tests/deplete_with_transfer_rates/ref_depletion_with_feed.h5
index b9be7634513373af572ead9d97e1b705ad454e83..284d5cbe4ed05d7404222e70200aa0e0318cf2ad 100644
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diff --git a/tests/regression_tests/deplete_with_transfer_rates/ref_depletion_with_removal.h5 b/tests/regression_tests/deplete_with_transfer_rates/ref_depletion_with_removal.h5
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diff --git a/tests/regression_tests/deplete_with_transfer_rates/ref_depletion_with_transfer.h5 b/tests/regression_tests/deplete_with_transfer_rates/ref_depletion_with_transfer.h5
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diff --git a/tests/regression_tests/deplete_with_transfer_rates/ref_no_depletion_only_feed.h5 b/tests/regression_tests/deplete_with_transfer_rates/ref_no_depletion_only_feed.h5
index d53adc7d8413c904289119fcb922be662b396f96..d080b447093018f62b3eced413db81fa606d3338 100644
GIT binary patch
delta 77
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delta 77
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diff --git a/tests/regression_tests/deplete_with_transfer_rates/ref_no_depletion_only_removal.h5 b/tests/regression_tests/deplete_with_transfer_rates/ref_no_depletion_only_removal.h5
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diff --git a/tests/regression_tests/deplete_with_transfer_rates/ref_no_depletion_with_ext_source.h5 b/tests/regression_tests/deplete_with_transfer_rates/ref_no_depletion_with_ext_source.h5
new file mode 100644
index 0000000000000000000000000000000000000000..f3b1b171ebcab9d99fb7b73f5b8273ac72187971
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literal 0
HcmV?d00001

diff --git a/tests/regression_tests/deplete_with_transfer_rates/ref_no_depletion_with_transfer.h5 b/tests/regression_tests/deplete_with_transfer_rates/ref_no_depletion_with_transfer.h5
index 469149f6742736085bebd22499c4eb2a45f519ed..b0ba997407f2471adcb32897dd08378bfe312814 100644
GIT binary patch
delta 77
zcmcbxnCZe|rVXd;7@0Powv%TBQm^gj1F6Z~j{kw2ZYO>aXSOqlGuvgUC!_3U$G+8!
Z%nw!-O-^)`pLjuNv%-Wmj4VLDJpg559Z>)P

delta 77
zcmcbxnCZe|rVXd;7#TL7wv%TBQm^gj1F6Z~j{kw2ZYO>aXSOqlGuvgUC!@?}$G+8!
Z%nfS`CnvhfPrM+sSz*E&MiwC79spV!9Ebn_

diff --git a/tests/regression_tests/deplete_with_transfer_rates/test.py b/tests/regression_tests/deplete_with_transfer_rates/test.py
index 10d60866a..4ad009d22 100644
--- a/tests/regression_tests/deplete_with_transfer_rates/test.py
+++ b/tests/regression_tests/deplete_with_transfer_rates/test.py
@@ -1,8 +1,7 @@
-""" TransferRates depletion test suite """
+""" ExternalRates depletion test suite """
 
 from pathlib import Path
 import shutil
-import sys
 
 import numpy as np
 import pytest
@@ -11,7 +10,7 @@ import openmc.deplete
 from openmc.deplete import CoupledOperator
 
 from tests.regression_tests import config, assert_reaction_rates_equal, \
-    assert_atoms_equal, assert_same_mats
+    assert_atoms_equal
 
 
 @pytest.fixture
@@ -44,9 +43,11 @@ def model():
     settings.particles = 100
     settings.inactive = 0
     settings.batches = 10
+    settings.seed = 1
 
     return openmc.Model(geometry, materials, settings)
 
+
 @pytest.mark.parametrize("rate, dest_mat, power, ref_result", [
     (1e-5, None, 0.0, 'no_depletion_only_removal'),
     (-1e-5, None, 0.0, 'no_depletion_only_feed'),
@@ -83,6 +84,40 @@ def test_transfer_rates(run_in_tmpdir, model, rate, dest_mat, power, ref_result)
     res_ref = openmc.deplete.Results(path_reference)
     res_test = openmc.deplete.Results(path_test)
 
-    assert_same_mats(res_ref, res_test)
-    assert_atoms_equal(res_ref, res_test, 1e-6)
+    assert_atoms_equal(res_ref, res_test)
+    assert_reaction_rates_equal(res_ref, res_test)
+
+
+@pytest.mark.parametrize("rate, power, ref_result", [
+    (1e-1, 0.0, 'no_depletion_with_ext_source'),
+    (1e-1, 174., 'depletion_with_ext_source'),
+])
+def test_external_source_rates(run_in_tmpdir, model, rate, power, ref_result):
+    """Tests external_rates depletion class with external source rates"""
+
+    chain_file = Path(__file__).parents[2] / 'chain_simple.xml'
+
+    external_source_vector = {'U': 1}
+
+    op = CoupledOperator(model, chain_file)
+    op.round_number = True
+    integrator = openmc.deplete.PredictorIntegrator(
+        op, [1], power, timestep_units='d')
+    integrator.add_external_source_rate('f', external_source_vector, rate)
+    integrator.integrate()
+
+    # Get path to test and reference results
+    path_test = op.output_dir / 'depletion_results.h5'
+    path_reference = Path(__file__).with_name(f'ref_{ref_result}.h5')
+
+    # If updating results, do so and return
+    if config['update']:
+        shutil.copyfile(str(path_test), str(path_reference))
+        return
+
+    # Load the reference/test results
+    res_ref = openmc.deplete.Results(path_reference)
+    res_test = openmc.deplete.Results(path_test)
+
+    assert_atoms_equal(res_ref, res_test)
     assert_reaction_rates_equal(res_ref, res_test)
diff --git a/tests/unit_tests/test_deplete_external_source_rates.py b/tests/unit_tests/test_deplete_external_source_rates.py
new file mode 100644
index 000000000..a8cf9dde5
--- /dev/null
+++ b/tests/unit_tests/test_deplete_external_source_rates.py
@@ -0,0 +1,170 @@
+""" Tests for ExternalSourceRates class """
+
+from pathlib import Path
+
+import pytest
+import numpy as np
+import re
+
+import openmc
+from openmc.data import AVOGADRO, atomic_mass
+from openmc.deplete import CoupledOperator
+from openmc.deplete.transfer_rates import ExternalSourceRates
+from openmc.deplete.abc import (_SECONDS_PER_MINUTE, _SECONDS_PER_HOUR,
+                                _SECONDS_PER_DAY, _SECONDS_PER_JULIAN_YEAR)
+
+CHAIN_PATH = Path(__file__).parents[1] / "chain_simple.xml"
+
+@pytest.fixture
+def model():
+    openmc.reset_auto_ids()
+    f = openmc.Material(name="f")
+    f.add_element("U", 1, enrichment=4.25)
+    f.add_element("O", 2)
+    f.set_density("g/cm3", 10.4)
+
+    w = openmc.Material(name="w")
+    w.add_element("O", 1)
+    w.add_element("H", 2)
+    w.set_density("g/cm3", 1.0)
+    w.depletable = True
+
+    # material just to test multiple destination material
+    h = openmc.Material(name="h")
+    h.add_element("He", 1)
+    h.set_density("g/cm3", 1.78e-4)
+
+    radii = [0.42, 0.45]
+    f.volume = np.pi * radii[0] ** 2
+    w.volume = np.pi * (radii[1]**2 - radii[0]**2)
+    h.volume = 1
+    materials = openmc.Materials([f, w, h])
+
+    surf_f = openmc.Sphere(r=radii[0])
+    surf_w = openmc.Sphere(r=radii[1], boundary_type='vacuum')
+    surf_h = openmc.Sphere(x0=10, r=1, boundary_type='vacuum')
+    cell_f = openmc.Cell(fill=f, region=-surf_f)
+    cell_w = openmc.Cell(fill=w, region=+surf_f & -surf_w)
+    cell_h = openmc.Cell(fill=h, region=-surf_h)
+    geometry = openmc.Geometry([cell_f, cell_w, cell_h])
+
+    settings = openmc.Settings()
+    settings.particles = 1000
+    settings.inactive = 10
+    settings.batches = 50
+
+    return openmc.Model(geometry, materials, settings)
+
+
+@pytest.mark.parametrize(
+"case_name, external_source_vectors, external_source_rate, timesteps", [
+    ('elements', [{'U': 0.9, 'Xe': 0.1}], 1, None),
+    ('nuclides', [{'I135': 0.1, 'Gd156': 0.3, 'Gd157': 0.6}], 1, None),
+    ('nuclides_elements', [{'I135': 0.01, 'Gd156': 0.1, 'Gd157': 0.01, 'U': 0.8,
+                           'Xe': 0.08}], 1, None),
+    ('elements_nuclides', [{'U': 0.78, 'Xe': 0.1, 'I135': 0.01, 'Gd156': 0.1,
+                           'Gd157': 0.01}], 1, None),
+    ('multiple_vectors', [{'U': 1.}, {'Xe': 1}], 1, None),
+    ('timesteps', [{'U': 0.9, 'Xe': 0.1}], 1, [1]),
+    ('rates_invalid_1', [{'Gb': 1.}], 1, None),
+    ('rates_invalid_2', [{'Pu': 1.}], 1, None)
+    ])
+def test_get_set(model, case_name, external_source_vectors, external_source_rate,
+                 timesteps):
+    """Tests the get/set methods"""
+
+    op = CoupledOperator(model, CHAIN_PATH)
+    number_of_timesteps = 2
+    transfer = ExternalSourceRates(op, model.materials, number_of_timesteps)
+
+    if timesteps is None:
+        timesteps = np.arange(number_of_timesteps)
+
+    # Test by Openmc material, material name and material id
+    material= [m for m in model.materials if m.depletable][0]
+
+    for material_input in [material, material.name, material.id]:
+        for external_source_vector in external_source_vectors:
+            if case_name == 'rates_invalid_1':
+                with pytest.raises(ValueError, match='Gb is not a valid '
+                                   'nuclide or element.'):
+                    transfer.set_external_source_rate(material_input,
+                                               external_source_vector,
+                                               external_source_rate)
+            elif case_name == 'rates_invalid_2':
+                with pytest.raises(ValueError, match='Cannot add element Pu'):
+                    transfer.set_external_source_rate(material_input,
+                                               external_source_vector,
+                                               external_source_rate)
+            else:
+                transfer.set_external_source_rate(material_input,
+                                               external_source_vector,
+                                               external_source_rate,
+                                               timesteps=timesteps)
+                for component, percent in external_source_vector.items():
+                    split_component = re.split(r'\d+', component)
+                    if len(split_component) == 1:
+                        for nuc, frac in openmc.data.isotopes(component):
+                            val = external_source_rate * percent * frac * \
+                                AVOGADRO / atomic_mass(nuc)
+                            assert transfer.get_external_rate(
+                                material_input, nuc, timesteps)[0] == pytest.approx(val)
+                    else:
+                        val = external_source_rate * percent * AVOGADRO / atomic_mass(component)
+                        assert transfer.get_external_rate(
+                            material_input, component, timesteps)[0] == pytest.approx(val)
+
+                assert np.all(transfer.external_timesteps == timesteps)
+
+
+@pytest.mark.parametrize("units, unit_conv", [
+    ('g/s', 1),
+    ('g/sec', 1),
+    ('g/min', _SECONDS_PER_MINUTE),
+    ('g/minute', _SECONDS_PER_MINUTE),
+    ('g/h', _SECONDS_PER_HOUR),
+    ('g/hr', _SECONDS_PER_HOUR),
+    ('g/hour', _SECONDS_PER_HOUR),
+    ('g/d', _SECONDS_PER_DAY),
+    ('g/day', _SECONDS_PER_DAY),
+    ('g/a', _SECONDS_PER_JULIAN_YEAR),
+    ('g/year', _SECONDS_PER_JULIAN_YEAR),
+    ])
+def test_units(units, unit_conv, model):
+    """ Units testing"""
+    # create external rate Xe
+    components = ['Xe135', 'U235']
+    external_source_rate = 1.0
+    number_of_timesteps = 2
+    op = CoupledOperator(model, CHAIN_PATH)
+    transfer = ExternalSourceRates(op, model.materials, number_of_timesteps)
+    timesteps = np.arange(number_of_timesteps)
+
+    for component in components:
+        rate = external_source_rate * unit_conv * atomic_mass(component) / AVOGADRO
+        transfer.set_external_source_rate('f', {component: 1}, rate, rate_units=units)
+        assert transfer.get_external_rate(
+            'f', component, timesteps)[0] == pytest.approx(external_source_rate)
+
+
+def test_external_source(run_in_tmpdir, model):
+    """Tests external source depletion class without neither reaction rates nor
+    decay but only external source rates"""
+    # create transfer rate for U
+    vector = {'U235': 1}
+    external_source = 10  # grams
+    op = CoupledOperator(model, CHAIN_PATH)
+    integrator = openmc.deplete.PredictorIntegrator(
+        op, [1, 1], 0.0, timestep_units = 'd')
+    integrator.add_external_source_rate('f', vector, external_source/(24*3600))
+    integrator.integrate()
+
+    # Get number of U238 atoms from results
+    results = openmc.deplete.Results('depletion_results.h5')
+    _, atoms = results.get_atoms(model.materials[0], "U235")
+
+    # Ensure number of atoms equal external source
+    assert atoms[1] - atoms[0] == pytest.approx(
+        external_source * AVOGADRO / atomic_mass('U235'))
+    assert atoms[2] - atoms[1] == pytest.approx(
+        external_source * AVOGADRO / atomic_mass('U235'))
diff --git a/tests/unit_tests/test_deplete_transfer_rates.py b/tests/unit_tests/test_deplete_transfer_rates.py
index 140777cd6..a3228e9fb 100644
--- a/tests/unit_tests/test_deplete_transfer_rates.py
+++ b/tests/unit_tests/test_deplete_transfer_rates.py
@@ -16,6 +16,7 @@ CHAIN_PATH = Path(__file__).parents[1] / "chain_simple.xml"
 
 @pytest.fixture
 def model():
+    openmc.reset_auto_ids()
     f = openmc.Material(name="f")
     f.add_element("U", 1, percent_type="ao", enrichment=4.25)
     f.add_element("O", 2)
@@ -54,32 +55,35 @@ def model():
 
     return openmc.Model(geometry, materials, settings)
 
-@pytest.mark.parametrize("case_name, transfer_rates", [
-    ('elements', {'U': 0.01, 'Xe': 0.1}),
-    ('nuclides', {'I135': 0.01, 'Gd156': 0.1, 'Gd157': 0.01}),
+@pytest.mark.parametrize("case_name, transfer_rates, timesteps", [
+    ('elements', {'U': 0.01, 'Xe': 0.1}, None),
+    ('nuclides', {'I135': 0.01, 'Gd156': 0.1, 'Gd157': 0.01}, None),
     ('nuclides_elements', {'I135': 0.01, 'Gd156': 0.1, 'Gd157': 0.01, 'U': 0.01,
-                           'Xe': 0.1}),
+                           'Xe': 0.1}, None),
     ('elements_nuclides', {'U': 0.01, 'Xe': 0.1, 'I135': 0.01, 'Gd156': 0.1,
-                           'Gd157': 0.01}),
+                           'Gd157': 0.01}, None),
     ('multiple_transfer', {'U': 0.01, 'Xe': 0.1, 'I135': 0.01, 'Gd156': 0.1,
-                           'Gd157': 0.01}),
-    ('rates_invalid_1', {'Gd': 0.01, 'Gd157': 0.01, 'Gd156': 0.01}),
-    ('rates_invalid_2', {'Gd156': 0.01, 'Gd157': 0.01, 'Gd': 0.01}),
-    ('rates_invalid_3', {'Gb156': 0.01}),
-    ('rates_invalid_4', {'Gb': 0.01})
+                           'Gd157': 0.01}, None),
+    ('timesteps', {'U': 0.01, 'Xe': 0.1}, [1]),
+    ('rates_invalid_1', {'Gd': 0.01, 'Gd157': 0.01, 'Gd156': 0.01}, None),
+    ('rates_invalid_2', {'Gd156': 0.01, 'Gd157': 0.01, 'Gd': 0.01}, None),
+    ('rates_invalid_3', {'Gb156': 0.01}, None),
+    ('rates_invalid_4', {'Gb': 0.01}, None)
     ])
-def test_get_set(model, case_name, transfer_rates):
+def test_get_set(model, case_name, transfer_rates, timesteps):
     """Tests the get/set methods"""
-
-    openmc.reset_auto_ids()
     op = CoupledOperator(model, CHAIN_PATH)
-    transfer = TransferRates(op, model)
+    number_of_timesteps = 2
+    transfer = TransferRates(op, model.materials, number_of_timesteps)
+
+    if timesteps is None:
+        timesteps = np.arange(number_of_timesteps)
 
     # Test by Openmc material, material name and material id
     material, dest_material, dest_material2 = [m for m in model.materials
                                                if m.depletable]
     for material_input in [material, material.name, material.id]:
-        for dest_material_input in [dest_material, dest_material.name,
+        for dest_material_input in [None, dest_material, dest_material.name,
                                     dest_material.id]:
             if case_name == 'rates_invalid_1':
                 with pytest.raises(ValueError, match='Cannot add transfer '
@@ -117,14 +121,21 @@ def test_get_set(model, case_name, transfer_rates):
                 for component, transfer_rate in transfer_rates.items():
                     transfer.set_transfer_rate(material_input, [component],
                                                transfer_rate,
+                                               timesteps=timesteps,
                                                destination_material=\
                                                dest_material_input)
-                    assert transfer.get_transfer_rate(
-                        material_input, component)[0] == transfer_rate
-                    assert transfer.get_destination_material(
-                        material_input, component)[0] == str(dest_material.id)
-                assert transfer.get_components(material_input) == \
-                    transfer_rates.keys()
+                    assert transfer.get_external_rate(
+                        material_input, component, timesteps,
+                        dest_material_input)[0] == transfer_rate
+                    assert np.all(transfer.external_timesteps == timesteps)
+
+                if timesteps is not None:
+                    for timestep in timesteps:
+                        assert transfer.get_components(material_input, timestep,
+                            dest_material_input) == list(transfer_rates.keys())
+                else:
+                    assert transfer.get_components(material_input, timesteps,
+                            dest_material_input) == list(transfer_rates.keys())
 
             if case_name == 'multiple_transfer':
                 for dest2_material_input in [dest_material2, dest_material2.name,
@@ -135,10 +146,8 @@ def test_get_set(model, case_name, transfer_rates):
                                                destination_material=\
                                                dest2_material_input)
                         for id, dest_mat in zip([0,1],[dest_material,dest_material2]):
-                            assert transfer.get_transfer_rate(
-                                material_input, component)[id] == transfer_rate
-                            assert transfer.get_destination_material(
-                                material_input, component)[id] == str(dest_mat.id)
+                            assert transfer.get_external_rate(
+                                material_input, component, timesteps)[0] == transfer_rate
 
 @pytest.mark.parametrize("transfer_rate_units, unit_conv", [
     ('1/s', 1),
@@ -158,13 +167,15 @@ def test_units(transfer_rate_units, unit_conv, model):
     # create transfer rate Xe
     components = ['Xe', 'U235']
     transfer_rate = 1e-5
+    number_of_timesteps = 2
     op = CoupledOperator(model, CHAIN_PATH)
-    transfer = TransferRates(op, model)
+    transfer = TransferRates(op, model.materials, number_of_timesteps)
 
     for component in components:
         transfer.set_transfer_rate('f', [component], transfer_rate * unit_conv,
                                    transfer_rate_units=transfer_rate_units)
-        assert transfer.get_transfer_rate('f', component)[0] == transfer_rate
+        for timestep in range(transfer.number_of_timesteps):
+            assert transfer.get_external_rate('f', component, timestep)[0] == transfer_rate
 
 
 def test_transfer(run_in_tmpdir, model):

From 757617be50acb2a92120fb06991b5491b79bf4d4 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Fri, 16 May 2025 16:55:41 +0300
Subject: [PATCH 2308/2654] added test for dagmc geometry plot (#3375)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 tests/unit_tests/dagmc/test_model.py |  1 +
 tests/unit_tests/dagmc/test_plot.py  | 32 ++++++++++++++++++++++++++++
 2 files changed, 33 insertions(+)
 create mode 100644 tests/unit_tests/dagmc/test_plot.py

diff --git a/tests/unit_tests/dagmc/test_model.py b/tests/unit_tests/dagmc/test_model.py
index 9fdfbcebc..0de4f6092 100644
--- a/tests/unit_tests/dagmc/test_model.py
+++ b/tests/unit_tests/dagmc/test_model.py
@@ -4,6 +4,7 @@ import lxml.etree as ET
 import numpy as np
 import pytest
 import openmc
+import openmc.lib
 from openmc.utility_funcs import change_directory
 
 pytestmark = pytest.mark.skipif(
diff --git a/tests/unit_tests/dagmc/test_plot.py b/tests/unit_tests/dagmc/test_plot.py
new file mode 100644
index 000000000..83f6df767
--- /dev/null
+++ b/tests/unit_tests/dagmc/test_plot.py
@@ -0,0 +1,32 @@
+import pytest
+import openmc
+import openmc.lib
+
+
+pytestmark = pytest.mark.skipif(
+    not openmc.lib._dagmc_enabled(), reason="DAGMC CAD geometry is not enabled."
+)
+
+def test_plotting_dagmc_geometry(request):
+    """Test plotting a DAGMC geometry with OpenMC. This is different to CSG
+    geometry plotting as the path to the DAGMC file needs handling."""
+
+    dag_universe = openmc.DAGMCUniverse(request.path.parent / 'dagmc.h5m')
+    csg_with_dag_inside = dag_universe.bounded_universe()
+    model = openmc.Model()
+    model.geometry = openmc.Geometry(csg_with_dag_inside)
+
+    for mat_name in dag_universe.material_names:
+        material = openmc.Material(name=mat_name)
+        material.add_nuclide("Fe56", 1.0)
+        material.set_density("g/cm3", 7.0)
+        model.materials.append(material)
+
+    # putting the source at the center of the bounding box of the DAGMC
+    model.settings.source = openmc.IndependentSource(
+        space=openmc.stats.Point(dag_universe.bounding_box.center)
+    )
+    model.settings.batches = 10
+    model.settings.particles = 50
+
+    model.plot()

From a7d1ceba3f9fe5e394a49cdf10b724094f39af11 Mon Sep 17 00:00:00 2001
From: Alberto P <4104972+alberto743@users.noreply.github.com>
Date: Sun, 18 May 2025 19:28:00 +0200
Subject: [PATCH 2309/2654] small typo - spelling of Debian (#3411)

---
 docs/source/usersguide/install.rst | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/docs/source/usersguide/install.rst b/docs/source/usersguide/install.rst
index d294770e0..7a8cb8020 100644
--- a/docs/source/usersguide/install.rst
+++ b/docs/source/usersguide/install.rst
@@ -221,7 +221,7 @@ Prerequisites
       OpenMC's built-in plotting capabilities use the libpng library to produce
       compressed PNG files. In the absence of this library, OpenMC will fallback
       to writing PPM files, which are uncompressed and only supported by select
-      image viewers. libpng can be installed on Ddebian derivates with::
+      image viewers. libpng can be installed on Debian derivates with::
 
           sudo apt install libpng-dev
 

From cb95c784b755719d9e5897bb550611eb0a8e542a Mon Sep 17 00:00:00 2001
From: GuySten <62616591+GuySten@users.noreply.github.com>
Date: Tue, 27 May 2025 19:04:16 +0300
Subject: [PATCH 2310/2654] Fix bug where the same mesh is written multiple
 times to settings.xml (#3418)

---
 openmc/settings.py | 9 ++++++---
 1 file changed, 6 insertions(+), 3 deletions(-)

diff --git a/openmc/settings.py b/openmc/settings.py
index 6fb36f3fc..4cacefbed 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -1626,9 +1626,12 @@ class Settings:
             if mesh_memo is not None and wwg.mesh.id in mesh_memo:
                 continue
 
-            root.append(wwg.mesh.to_xml_element())
-            if mesh_memo is not None:
-                mesh_memo.add(wwg.mesh.id)
+            # See if a <mesh> element already exists -- if not, add it
+            path = f"./mesh[@id='{wwg.mesh.id}']"
+            if root.find(path) is None:
+                root.append(wwg.mesh.to_xml_element())
+                if mesh_memo is not None:
+                    mesh_memo.add(wwg.mesh.id)
 
     def _create_weight_windows_file_element(self, root):
         if self.weight_windows_file is not None:

From ace73ab5de619d33241fcc778551c843b682ced1 Mon Sep 17 00:00:00 2001
From: GuySten <62616591+GuySten@users.noreply.github.com>
Date: Tue, 3 Jun 2025 21:02:20 +0300
Subject: [PATCH 2311/2654] Fixed a bug in charged particle energy deposition.
 (#3416)

Co-authored-by: Jonathan Shimwell <drshimwell@gmail.com>
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 docs/source/methods/energy_deposition.rst     | 79 ++++++++++++++++---
 include/openmc/material.h                     |  5 ++
 src/material.cpp                              | 11 ++-
 src/tallies/tally_scoring.cpp                 | 67 +++++++++-------
 .../photon_production/results_true.dat        |  8 +-
 tests/unit_tests/test_data_multipole.py       |  4 +-
 tests/unit_tests/test_nuclide_heating.py      | 39 +++++++++
 7 files changed, 166 insertions(+), 47 deletions(-)
 create mode 100644 tests/unit_tests/test_nuclide_heating.py

diff --git a/docs/source/methods/energy_deposition.rst b/docs/source/methods/energy_deposition.rst
index 4675aee3f..0babd7124 100644
--- a/docs/source/methods/energy_deposition.rst
+++ b/docs/source/methods/energy_deposition.rst
@@ -25,19 +25,36 @@ KERMA (Kinetic Energy Release in Materials) [Mack97]_ coefficients for reaction
 :math:`\times` cross-section (e.g., eV-barn) and can be used much like a reaction
 cross section for the purpose of tallying energy deposition.
 
-KERMA coefficients can be computed using the energy-balance method with
-a nuclear data processing code like NJOY, which performs the following
-iteration over all reactions :math:`r` for all isotopes :math:`i`
-requested
+KERMA coefficients can be computed using the energy-balance method with a
+nuclear data processing code like NJOY, which estimates the KERMA coefficients
+using the following equation:
 
 .. math::
 
-    k_{i, r}(E) = \left(E + Q_{i, r} - \bar{E}_{i, r, n}
+    k_{i, r}(E) = \left(E + Q_{i, r} - \sum\limits_x \bar{E}_{i, r, x}
+    \right)\sigma_{i, r}(E),
+
+where the summation is over each secondary particle type :math:`x`. This
+equation states that the energy deposited is equal to the energy of the incident
+particle plus the reaction :math:`Q` value less the energy of secondary
+particles that are transported away from the reaction site. For neutron
+interactions, the energy-balance KERMA coefficient is
+
+.. math::
+
+    k_{i, r}(E) = \left(E + Q_{i, r} - \sum\limits_x \bar{E}_{i, r, n}
     - \bar{E}_{i, r, \gamma}\right)\sigma_{i, r}(E),
 
-removing the energy of neutral particles (neutrons and photons) that are
-transported away from the reaction site :math:`\bar{E}`, and the reaction
-:math:`Q` value.
+where :math:`\bar{E}_{i, r, n}` is the average energy of secondary neutrons and
+:math:`\bar{E}_{i, r, \gamma}` is the average energy of secondary photons. For
+photon and charged particle interactions, the :math:`Q` value is zero and thus
+the KERMA coefficient is
+
+.. math::
+    :label: energy-balance-photon
+
+    k_{i, r}(E) = \left(E - \sum\limits_x \bar{E}_{i, r, x}
+    \right)\sigma_{i, r}(E).
 
 -------
 Fission
@@ -120,7 +137,7 @@ run with :math:`N918` reflecting fission heating computed from NJOY.
 This modified heating data is stored as the MT=901 reaction and will be scored
 if ``heating-local`` is included in :attr:`openmc.Tally.scores`.
 
-Coupled neutron-photon transport
+Coupled Neutron-Photon Transport
 --------------------------------
 
 Here, OpenMC instructs ``heatr`` to assume that energy from photons is not
@@ -138,6 +155,50 @@ Let :math:`N301` represent the total heating number returned from this
 This modified heating data is stored as the MT=301 reaction and will be scored
 if ``heating`` is included in :attr:`openmc.Tally.scores`.
 
+Photons and Charged Particles
+-----------------------------
+
+In OpenMC, energy deposition from photons or charged particles is scored using
+the energy balance method based on Equation :eq:`energy-balance-photon`. Special
+consideration is given to electrons and positrons as described below.
+
++++++++++++++++++
+Charged Particles
++++++++++++++++++
+
+OpenMC tracks photons interaction by interaction so the energy deposited in each
+collision is easily attributed back to the nuclide and reaction for which the
+photon interacted with. Charged particles (electrons and photons) aren't tracked
+in the same way. For charged particles, OpenMC assumes that all their energy
+(less the energy of bremsstrahlung radiation) is deposited in the material in
+which they were born. In this way it is harder to trace how much energy should
+be attributed in each nuclide.
+
+According to the CSDA approximation (see :ref:`ttb`) the energy deposited by a
+charged particle with kinetic energy :math:`T` in the :math:`i`-th element can
+be calculated as:
+
+.. math::
+
+    E_{i} = \int_{0}^{R(T)} w_{i}S_{\text{col,i}} dx
+
+where :math:`R(T)` is the CSDA range of the charged particle,
+:math:`S_{\text{col},i}` is the collision stopping power of the charged particle
+in the :math:`i`-th element and :math:`w_i` is the mass fraction of the
+:math:`i`-th element. According to the Bethe formula the collision stopping
+power of the :math:`i`-th element is proportional to :math:`Z_i/A_i`, so the
+fractional collision stopping power from the :math:`i`-th element is:
+
+.. math::
+
+    \frac{w_{i}S_{\text{col},i}(T)}{S_{\text{col}}(T)} =
+    \frac{\frac{w_{i}Z_{i}}{A_{i}}}{\sum_{i}\frac{w_{i}Z_{i}}{A_{i}}} =
+    \frac{\gamma_i Z_{i}}{\sum_{i}\gamma_i Z_{i}}.
+
+where :math:`\gamma_i` is the atomic fraction of the :math:`i`-th element.
+Therefore, the energy deposited by charged particles should be attributed to
+a given element according to its fractional charge density.
+
 ----------
 References
 ----------
diff --git a/include/openmc/material.h b/include/openmc/material.h
index 31fab2ae2..fe587a86f 100644
--- a/include/openmc/material.h
+++ b/include/openmc/material.h
@@ -107,6 +107,10 @@ public:
   //! \return Density in [g/cm^3]
   double density_gpcc() const { return density_gpcc_; }
 
+  //! Get charge density in [e/b-cm]
+  //! \return Charge density in [e/b-cm]
+  double charge_density() const { return charge_density_; };
+
   //! Get name
   //! \return Material name
   const std::string& name() const { return name_; }
@@ -177,6 +181,7 @@ public:
   xt::xtensor<double, 1> atom_density_; //!< Nuclide atom density in [atom/b-cm]
   double density_;                      //!< Total atom density in [atom/b-cm]
   double density_gpcc_;                 //!< Total atom density in [g/cm^3]
+  double charge_density_;               //!< Total charge density in [e/b-cm]
   double volume_ {-1.0};                //!< Volume in [cm^3]
   vector<bool> p0_; //!< Indicate which nuclides are to be treated with
                     //!< iso-in-lab scattering
diff --git a/src/material.cpp b/src/material.cpp
index b8846d7cb..32384ddf1 100644
--- a/src/material.cpp
+++ b/src/material.cpp
@@ -454,12 +454,15 @@ void Material::normalize_density()
   // Calculate nuclide atom densities
   atom_density_ *= density_;
 
-  // Calculate density in g/cm^3.
+  // Calculate density in [g/cm^3] and charge density in [e/b-cm]
   density_gpcc_ = 0.0;
+  charge_density_ = 0.0;
   for (int i = 0; i < nuclide_.size(); ++i) {
     int i_nuc = nuclide_[i];
     double awr = settings::run_CE ? data::nuclides[i_nuc]->awr_ : 1.0;
+    int z = settings::run_CE ? data::nuclides[i_nuc]->Z_ : 0.0;
     density_gpcc_ += atom_density_(i) * awr * MASS_NEUTRON / N_AVOGADRO;
+    charge_density_ += atom_density_(i) * z;
   }
 }
 
@@ -982,12 +985,15 @@ void Material::set_density(double density, const std::string& units)
     // Recalculate nuclide atom densities based on given density
     atom_density_ *= density;
 
-    // Calculate density in g/cm^3.
+    // Calculate density in g/cm^3 and charge density in [e/b-cm]
     density_gpcc_ = 0.0;
+    charge_density_ = 0.0;
     for (int i = 0; i < nuclide_.size(); ++i) {
       int i_nuc = nuclide_[i];
       double awr = data::nuclides[i_nuc]->awr_;
+      int z = settings::run_CE ? data::nuclides[i_nuc]->Z_ : 0.0;
       density_gpcc_ += atom_density_(i) * awr * MASS_NEUTRON / N_AVOGADRO;
+      charge_density_ += atom_density_(i) * z;
     }
   } else if (units == "g/cm3" || units == "g/cc") {
     // Determine factor by which to change densities
@@ -998,6 +1004,7 @@ void Material::set_density(double density, const std::string& units)
     density_gpcc_ = density;
     density_ *= f;
     atom_density_ *= f;
+    charge_density_ *= f;
   } else {
     throw std::invalid_argument {
       "Invalid units '" + std::string(units.data()) + "' specified."};
diff --git a/src/tallies/tally_scoring.cpp b/src/tallies/tally_scoring.cpp
index 5c6386fb4..62b002907 100644
--- a/src/tallies/tally_scoring.cpp
+++ b/src/tallies/tally_scoring.cpp
@@ -325,6 +325,39 @@ double score_neutron_heating(const Particle& p, const Tally& tally, double flux,
   return score;
 }
 
+//! Helper function to obtain particle heating [eV]
+
+double score_particle_heating(const Particle& p, const Tally& tally,
+  double flux, int rxn_bin, int i_nuclide, double atom_density)
+{
+  if (p.type() == ParticleType::neutron)
+    return score_neutron_heating(
+      p, tally, flux, rxn_bin, i_nuclide, atom_density);
+  if (i_nuclide == -1 || i_nuclide == p.event_nuclide() ||
+      p.event_nuclide() == -1) {
+    // Get the pre-collision energy of the particle.
+    auto E = p.E_last();
+    // The energy deposited is the difference between the pre-collision
+    // and post-collision energy...
+    double score = E - p.E();
+    // ...less the energy of any secondary particles since they will be
+    // transported individually later
+    score -= p.bank_second_E();
+    score *= p.wgt_last();
+
+    // if no event_nuclide (charged particle) scale energy deposition by
+    // fractional charge density
+    if (i_nuclide != -1 && p.event_nuclide() == -1) {
+      const auto& mat {model::materials[p.material()]};
+      int z = data::nuclides[i_nuclide]->Z_;
+      auto i = mat->mat_nuclide_index_[i_nuclide];
+      score *= (z * mat->atom_density_[i] / mat->charge_density());
+    }
+    return score;
+  }
+  return 0.0;
+}
+
 //! Helper function for nu-fission tallies with energyout filters.
 //
 //! In this case, we may need to score to multiple bins if there were multiple
@@ -1007,23 +1040,8 @@ void score_general_ce_nonanalog(Particle& p, int i_tally, int start_index,
       break;
 
     case HEATING:
-      if (p.type() == Type::neutron) {
-        score = score_neutron_heating(
-          p, tally, flux, HEATING, i_nuclide, atom_density);
-      } else {
-        if (i_nuclide == -1 || i_nuclide == p.event_nuclide()) {
-          // The energy deposited is the difference between the pre-collision
-          // and post-collision energy...
-          score = E - p.E();
-          // ...less the energy of any secondary particles since they will be
-          // transported individually later
-          score -= p.bank_second_E();
-
-          score *= p.wgt_last();
-        } else {
-          score = 0.0;
-        }
-      }
+      score = score_particle_heating(
+        p, tally, flux, HEATING, i_nuclide, atom_density);
       break;
 
     default:
@@ -1539,19 +1557,8 @@ void score_general_ce_analog(Particle& p, int i_tally, int start_index,
       break;
 
     case HEATING:
-      if (p.type() == Type::neutron) {
-        score = score_neutron_heating(
-          p, tally, flux, HEATING, i_nuclide, atom_density);
-      } else {
-        // The energy deposited is the difference between the pre-collision and
-        // post-collision energy...
-        score = E - p.E();
-        // ...less the energy of any secondary particles since they will be
-        // transported individually later
-        score -= p.bank_second_E();
-
-        score *= p.wgt_last();
-      }
+      score = score_particle_heating(
+        p, tally, flux, HEATING, i_nuclide, atom_density);
       break;
 
     default:
diff --git a/tests/regression_tests/photon_production/results_true.dat b/tests/regression_tests/photon_production/results_true.dat
index 874e32b85..c16524689 100644
--- a/tests/regression_tests/photon_production/results_true.dat
+++ b/tests/regression_tests/photon_production/results_true.dat
@@ -67,8 +67,8 @@ tally 3:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-0.000000E+00
-0.000000E+00
+1.774484E+05
+3.148794E+10
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -79,8 +79,8 @@ tally 3:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-0.000000E+00
-0.000000E+00
+7.692488E+03
+5.917437E+07
 0.000000E+00
 0.000000E+00
 0.000000E+00
diff --git a/tests/unit_tests/test_data_multipole.py b/tests/unit_tests/test_data_multipole.py
index 4c2ba96d6..bc7136a97 100644
--- a/tests/unit_tests/test_data_multipole.py
+++ b/tests/unit_tests/test_data_multipole.py
@@ -52,7 +52,7 @@ def test_from_endf():
     pytest.importorskip('vectfit')
     endf_data = os.environ['OPENMC_ENDF_DATA']
     endf_file = os.path.join(endf_data, 'neutrons', 'n-001_H_001.endf')
-    return openmc.data.WindowedMultipole.from_endf(
+    assert openmc.data.WindowedMultipole.from_endf(
             endf_file, log=True, wmp_options={"n_win": 400, "n_cf": 3})
 
 
@@ -60,5 +60,5 @@ def test_from_endf_search():
     pytest.importorskip('vectfit')
     endf_data = os.environ['OPENMC_ENDF_DATA']
     endf_file = os.path.join(endf_data, 'neutrons', 'n-095_Am_244.endf')
-    return openmc.data.WindowedMultipole.from_endf(
+    assert openmc.data.WindowedMultipole.from_endf(
             endf_file, log=True, wmp_options={"search": True, 'rtol':1e-2})
diff --git a/tests/unit_tests/test_nuclide_heating.py b/tests/unit_tests/test_nuclide_heating.py
new file mode 100644
index 000000000..e00d57b4f
--- /dev/null
+++ b/tests/unit_tests/test_nuclide_heating.py
@@ -0,0 +1,39 @@
+import openmc
+from pytest import approx
+
+
+def test_nuclide_heating(run_in_tmpdir):
+    mat = openmc.Material()
+    mat.add_nuclide("Li6", 0.5)
+    mat.add_nuclide("Li7", 0.5)
+    mat.set_density("g/cm3", 1.0)
+
+    sphere = openmc.Sphere(r=20, boundary_type="reflective")
+    inside_sphere = openmc.Cell(fill=mat, region=-sphere)
+    model = openmc.Model()
+    model.geometry = openmc.Geometry([inside_sphere])
+
+    model.settings.particles = 1000
+    model.settings.batches = 1
+    model.settings.photon_transport = True
+    model.settings.electron_treatment = "ttb"
+    model.settings.cutoff = {"energy_photon": 1000}
+    model.settings.run_mode = "fixed source"
+    model.settings.source = openmc.IndependentSource(
+        energy=openmc.stats.delta_function(10.0e6),
+        particle="photon"
+    )
+
+    # Create two tallies, one with heating by nuclide and one with total heating
+    tally1 = openmc.Tally()
+    tally1.scores = ["heating"]
+    tally1.nuclides = mat.get_nuclides()
+    tally2 = openmc.Tally()
+    tally2.scores = ["heating"]
+    model.tallies = [tally1, tally2]
+
+    # Run the model
+    model.run(apply_tally_results=True)
+
+    # Make sure the heating results are consistent
+    assert tally1.mean.sum() == approx(tally2.mean.sum())

From e14bb884eb97f80fecaa3c509dce10964c10247a Mon Sep 17 00:00:00 2001
From: Lewis Gross <43077972+lewisgross1296@users.noreply.github.com>
Date: Wed, 4 Jun 2025 18:40:55 -0500
Subject: [PATCH 2312/2654] Update _get_start_data to always grab the beginning
 of timestep time (#3414)

Co-authored-by: Paul Wilson <paul.wilson@wisc.edu>
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/deplete/abc.py                     | 29 +++++++++++++++--
 tests/unit_tests/test_deplete_continue.py | 38 +++++++++++++++++++++++
 2 files changed, 65 insertions(+), 2 deletions(-)

diff --git a/openmc/deplete/abc.py b/openmc/deplete/abc.py
index c304b8dc6..4b43dd221 100644
--- a/openmc/deplete/abc.py
+++ b/openmc/deplete/abc.py
@@ -818,10 +818,35 @@ class Integrator(ABC):
             rates *= source_rate / res.source_rate
         return bos_conc, OperatorResult(k, rates)
 
-    def _get_start_data(self):
+    def _get_start_data(self) -> tuple[float, int]:
+        """
+        This function fetches the starting state of a depletion simulation in
+        terms of the simulation physical time at which to start and the index at
+        which the depletion simulation should start. When no previous results
+        exist, the time and index are both zero. When previous results do exist,
+        it returns the time corresponding to beginning the previous results last
+        timestep and the index as N-1 where N is the number of previous
+        StepResults found in the previous Results (as expected from 0-based
+        indexing).
+
+        Note that the openmc.deplete.Results.time object is a list of float with
+        [t,t+dt] where t is the beginning of timestep time and t+dt is the end
+        of timestep time. If the previous results correspond to a simulation
+        that finished to completeion, it will contain a results in the form of
+        [t,t], but if a simulation doesn't finish all the given timesteps, it is
+        the t that is the desired start time, not t+dt. Thus, it is always safe
+        to take time[0].
+
+        Returns
+        -------
+        start_time : float
+            Time at which depletion simulation should start in [s]
+        index : int
+            Index at which depletion simulation should start
+        """
         if self.operator.prev_res is None:
             return 0.0, 0
-        return (self.operator.prev_res[-1].time[-1],
+        return (self.operator.prev_res[-1].time[0],
                 len(self.operator.prev_res) - 1)
 
     def integrate(
diff --git a/tests/unit_tests/test_deplete_continue.py b/tests/unit_tests/test_deplete_continue.py
index 53c4c56d2..637c9d5e4 100644
--- a/tests/unit_tests/test_deplete_continue.py
+++ b/tests/unit_tests/test_deplete_continue.py
@@ -4,6 +4,7 @@ These tests run in two steps: first a normal run and then a continue run using t
 """
 
 import pytest
+import numpy as np
 import openmc.deplete
 
 from tests import dummy_operator
@@ -26,6 +27,43 @@ def test_continue(run_in_tmpdir):
     bundle.solver(operator, [1.0, 2.0, 3.0, 4.0], [1.0, 2.0, 3.0, 4.0],
                   continue_timesteps=True).integrate()
 
+    final_res = openmc.deplete.Results(operator.output_dir / "depletion_results.h5")
+
+    assert np.array_equal(
+        np.diff(final_res.get_times(time_units="s")),
+        [1.0, 2.0, 3.0, 4.0]
+    )
+
+
+def test_continue_continue(run_in_tmpdir):
+    """Test to ensure that a continue run can be continued"""
+    # set up the problem
+    bundle = dummy_operator.SCHEMES['predictor']
+    operator = dummy_operator.DummyOperator()
+
+    # initial depletion
+    bundle.solver(operator, [1.0, 2.0], [1.0, 2.0]).integrate()
+
+    # set up continue run
+    prev_res = openmc.deplete.Results(operator.output_dir / "depletion_results.h5")
+    operator = dummy_operator.DummyOperator(prev_res)
+
+    # first continue run
+    bundle.solver(operator, [1.0, 2.0, 3.0, 4.0], [1.0, 2.0, 3.0, 4.0],
+                  continue_timesteps=True).integrate()
+
+    prev_res = openmc.deplete.Results(operator.output_dir / "depletion_results.h5")
+    # second continue run
+    bundle.solver(operator, [1.0, 2.0, 3.0, 4.0, 5.0, 6.0], [1.0, 2.0, 3.0, 4.0, 5.0, 6.0],
+                  continue_timesteps=True).integrate()
+
+    final_res = openmc.deplete.Results(operator.output_dir / "depletion_results.h5")
+
+    assert np.array_equal(
+        np.diff(final_res.get_times(time_units="s")),
+        [1.0, 2.0, 3.0, 4.0, 5.0, 6.0]
+    )
+
 
 def test_mismatched_initial_times(run_in_tmpdir):
     """Test to ensure that a continue run with different initial steps is properly caught"""

From dadc4fe4184e66848a60a052c00d0b4cfeebb247 Mon Sep 17 00:00:00 2001
From: GuySten <62616591+GuySten@users.noreply.github.com>
Date: Thu, 5 Jun 2025 03:07:59 +0300
Subject: [PATCH 2313/2654] Fix no serialization of periodic_surface_id bug
 (#3421)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 include/openmc/boundary_condition.h |  4 +++
 openmc/summary.py                   | 12 +++++++++
 src/surface.cpp                     | 13 +++++++++
 tests/unit_tests/test_summary.py    | 41 +++++++++++++++++++++++++++++
 4 files changed, 70 insertions(+)
 create mode 100644 tests/unit_tests/test_summary.py

diff --git a/include/openmc/boundary_condition.h b/include/openmc/boundary_condition.h
index cd8988162..af40131f1 100644
--- a/include/openmc/boundary_condition.h
+++ b/include/openmc/boundary_condition.h
@@ -111,6 +111,10 @@ public:
 
   std::string type() const override { return "periodic"; }
 
+  int i_surf() const { return i_surf_; }
+
+  int j_surf() const { return j_surf_; }
+
 protected:
   int i_surf_;
   int j_surf_;
diff --git a/openmc/summary.py b/openmc/summary.py
index 6423f8ce1..ca5cfadd7 100644
--- a/openmc/summary.py
+++ b/openmc/summary.py
@@ -127,11 +127,23 @@ class Summary:
             self._fast_materials[material.id] = material
 
     def _read_surfaces(self):
+        periodic_surface_ids = set()
         for group in self._f['geometry/surfaces'].values():
             surface = openmc.Surface.from_hdf5(group)
             # surface may be None for DAGMC surfaces
             if surface:
                 self._fast_surfaces[surface.id] = surface
+                if surface.boundary_type == "periodic":
+                    periodic_surface_ids.add(surface.id)
+
+        # Assign periodic surfaces when information is in file
+        for surface_id in periodic_surface_ids:
+            group = self._f[f'geometry/surfaces/surface {surface_id}']
+            surface = self._fast_surfaces[surface_id]
+            if 'periodic_surface_id' in group:
+                periodic_surface_id = int(group['periodic_surface_id'][()])
+                surface.periodic_surface = self._fast_surfaces[periodic_surface_id]
+
 
     def _read_cells(self):
 
diff --git a/src/surface.cpp b/src/surface.cpp
index 0002275c3..ea19514a3 100644
--- a/src/surface.cpp
+++ b/src/surface.cpp
@@ -172,6 +172,19 @@ void Surface::to_hdf5(hid_t group_id) const
     if (bc_) {
       write_string(surf_group, "boundary_type", bc_->type(), false);
       bc_->to_hdf5(surf_group);
+
+      // write periodic surface ID
+      if (bc_->type() == "periodic") {
+        auto pbc = dynamic_cast<PeriodicBC*>(bc_.get());
+        Surface& surf1 {*model::surfaces[pbc->i_surf()]};
+        Surface& surf2 {*model::surfaces[pbc->j_surf()]};
+
+        if (id_ == surf1.id_) {
+          write_dataset(surf_group, "periodic_surface_id", surf2.id_);
+        } else {
+          write_dataset(surf_group, "periodic_surface_id", surf1.id_);
+        }
+      }
     } else {
       write_string(surf_group, "boundary_type", "transmission", false);
     }
diff --git a/tests/unit_tests/test_summary.py b/tests/unit_tests/test_summary.py
new file mode 100644
index 000000000..315ac0ba5
--- /dev/null
+++ b/tests/unit_tests/test_summary.py
@@ -0,0 +1,41 @@
+import openmc
+
+
+def test_periodic_surface_roundtrip(run_in_tmpdir):
+    # Create a simple model with periodic surfaces
+    mat = openmc.Material()
+    mat.add_nuclide('H1', 1.0)
+    mat.set_density('g/cm3', 1.0)
+    cyl = openmc.ZCylinder(r=1.0)
+    x0 = openmc.XPlane(-5.0, boundary_type='periodic')
+    y0 = openmc.YPlane(-5.0, boundary_type='periodic')
+    z0 = openmc.ZPlane(-5.0, boundary_type='periodic')
+    x1 = openmc.XPlane(5.0, boundary_type='periodic')
+    y1 = openmc.YPlane(5.0, boundary_type='periodic')
+    z1 = openmc.ZPlane(5.0, boundary_type='periodic')
+    x0.periodic_surface = x1
+    y0.periodic_surface = y1
+    z0.periodic_surface = z1
+    cell1 = openmc.Cell(fill=mat, region=-cyl)
+    cell2 = openmc.Cell(fill=mat, region=+cyl & +x0 & -x1 & +y0 & -y1 & +z0 & -z1)
+    model = openmc.Model()
+    model.geometry = openmc.Geometry([cell1, cell2])
+    model.settings.particles = 100
+    model.settings.batches = 1
+    model.settings.run_mode = 'fixed source'
+    model.settings.source = openmc.IndependentSource(
+        energy=openmc.stats.delta_function(1.0e4)
+    )
+
+    # Run model
+    model.run()
+
+    # Load summary data and check periodic surfaces
+    summary = openmc.Summary('summary.h5')
+    surfs = summary.geometry.get_all_surfaces()
+    for s in [x0, y0, z0, x1, y1, z1]:
+        assert surfs[s.id].boundary_type == 'periodic'
+    pairs = [(x0, x1), (y0, y1), (z0, z1)]
+    for s0, s1 in pairs:
+        assert surfs[s0.id].periodic_surface == surfs[s1.id]
+        assert surfs[s1.id].periodic_surface == surfs[s0.id]

From 4943fa363074e511cd0fa797a8d4c02af92c2443 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 5 Jun 2025 10:45:49 -0500
Subject: [PATCH 2314/2654] Avoid negative heating values during pair
 production and bremsstrahlung (#3426)

Co-authored-by: GuySten <guyste@post.bgu.ac.il>
---
 docs/source/methods/energy_deposition.rst     |  8 +++--
 include/openmc/particle_data.h                |  3 +-
 src/bremsstrahlung.cpp                        |  6 ++++
 src/tallies/tally_scoring.cpp                 | 29 ++++++++++++++----
 .../photon_production/results_true.dat        | 28 ++++++++---------
 .../results_true.dat                          | 16 +++++-----
 tests/unit_tests/test_photon_heating.py       | 30 +++++++++++++++++++
 7 files changed, 88 insertions(+), 32 deletions(-)
 create mode 100644 tests/unit_tests/test_photon_heating.py

diff --git a/docs/source/methods/energy_deposition.rst b/docs/source/methods/energy_deposition.rst
index 0babd7124..c43ee64ac 100644
--- a/docs/source/methods/energy_deposition.rst
+++ b/docs/source/methods/energy_deposition.rst
@@ -47,15 +47,17 @@ interactions, the energy-balance KERMA coefficient is
 
 where :math:`\bar{E}_{i, r, n}` is the average energy of secondary neutrons and
 :math:`\bar{E}_{i, r, \gamma}` is the average energy of secondary photons. For
-photon and charged particle interactions, the :math:`Q` value is zero and thus
-the KERMA coefficient is
+photon and charged particle interactions the KERMA coefficient is
 
 .. math::
     :label: energy-balance-photon
 
-    k_{i, r}(E) = \left(E - \sum\limits_x \bar{E}_{i, r, x}
+    k_{i, r}(E) = \left(E + Q_{i, r} - \sum\limits_x \bar{E}_{i, r, x}
     \right)\sigma_{i, r}(E).
 
+where the :math:`Q` value is zero for all interactions except for pair
+production and positron annihilation.
+
 -------
 Fission
 -------
diff --git a/include/openmc/particle_data.h b/include/openmc/particle_data.h
index 1570b780b..a07a99ffb 100644
--- a/include/openmc/particle_data.h
+++ b/include/openmc/particle_data.h
@@ -573,7 +573,8 @@ public:
   bool& fission() { return fission_; }            // true if implicit fission
   int& event_nuclide() { return event_nuclide_; } // index of collision nuclide
   const int& event_nuclide() const { return event_nuclide_; }
-  int& event_mt() { return event_mt_; }           // MT number of collision
+  int& event_mt() { return event_mt_; } // MT number of collision
+  const int& event_mt() const { return event_mt_; }
   int& delayed_group() { return delayed_group_; } // delayed group
   const int& parent_nuclide() const { return parent_nuclide_; }
   int& parent_nuclide() { return parent_nuclide_; } // Parent nuclide
diff --git a/src/bremsstrahlung.cpp b/src/bremsstrahlung.cpp
index d22d6392a..a2320e0b4 100644
--- a/src/bremsstrahlung.cpp
+++ b/src/bremsstrahlung.cpp
@@ -112,6 +112,12 @@ void thick_target_bremsstrahlung(Particle& p, double* E_lost)
                std::pow(a * (c - c_l) / (std::exp(w_l) * p_l) + 1.0, 1.0 / a);
 
     if (w > settings::energy_cutoff[photon]) {
+      // If the energy of the secondary photon is larger than the remaining
+      // energy of the primary particle, adjust it to the remaining energy
+      if (*E_lost + w > p.E()) {
+        w = p.E() - *E_lost;
+      }
+
       // Create secondary photon
       p.create_secondary(p.wgt(), p.u(), w, ParticleType::photon);
       *E_lost += w;
diff --git a/src/tallies/tally_scoring.cpp b/src/tallies/tally_scoring.cpp
index 62b002907..71b103cfb 100644
--- a/src/tallies/tally_scoring.cpp
+++ b/src/tallies/tally_scoring.cpp
@@ -325,6 +325,20 @@ double score_neutron_heating(const Particle& p, const Tally& tally, double flux,
   return score;
 }
 
+//! Helper function to obtain reaction Q value for photons and charged particles
+double get_reaction_q_value(const Particle& p)
+{
+  if (p.type() == ParticleType::photon && p.event_mt() == PAIR_PROD) {
+    // pair production
+    return -2 * MASS_ELECTRON_EV;
+  } else if (p.type() == ParticleType::positron) {
+    // positron annihilation
+    return 2 * MASS_ELECTRON_EV;
+  } else {
+    return 0.0;
+  }
+}
+
 //! Helper function to obtain particle heating [eV]
 
 double score_particle_heating(const Particle& p, const Tally& tally,
@@ -335,14 +349,17 @@ double score_particle_heating(const Particle& p, const Tally& tally,
       p, tally, flux, rxn_bin, i_nuclide, atom_density);
   if (i_nuclide == -1 || i_nuclide == p.event_nuclide() ||
       p.event_nuclide() == -1) {
+    // For pair production and positron annihilation, we need to account for the
+    // reaction Q value
+    double Q = get_reaction_q_value(p);
+
     // Get the pre-collision energy of the particle.
     auto E = p.E_last();
-    // The energy deposited is the difference between the pre-collision
-    // and post-collision energy...
-    double score = E - p.E();
-    // ...less the energy of any secondary particles since they will be
-    // transported individually later
-    score -= p.bank_second_E();
+
+    // The energy deposited is the sum of the incident energy and the reaction
+    // Q-value less the energy of any outgoing particles
+    double score = E + Q - p.E() - p.bank_second_E();
+
     score *= p.wgt_last();
 
     // if no event_nuclide (charged particle) scale energy deposition by
diff --git a/tests/regression_tests/photon_production/results_true.dat b/tests/regression_tests/photon_production/results_true.dat
index c16524689..413f6f0ca 100644
--- a/tests/regression_tests/photon_production/results_true.dat
+++ b/tests/regression_tests/photon_production/results_true.dat
@@ -55,14 +55,14 @@ tally 3:
 1.846062E-07
 2.297000E-01
 5.276209E-02
-7.055982E+03
-4.978688E+07
+4.196651E+00
+1.761188E+01
 0.000000E+00
 0.000000E+00
 2.297000E-01
 5.276209E-02
-7.055982E+03
-4.978688E+07
+4.196651E+00
+1.761188E+01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -79,14 +79,14 @@ tally 3:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-7.692488E+03
-5.917437E+07
+1.474427E+04
+2.173936E+08
 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-7.692488E+03
-5.917437E+07
+1.474427E+04
+2.173936E+08
 0.000000E+00
 0.000000E+00
 tally 4:
@@ -104,14 +104,14 @@ tally 4:
 0.000000E+00
 2.297000E-01
 5.276209E-02
-7.055982E+03
-4.978688E+07
+4.196651E+00
+1.761188E+01
 0.000000E+00
 0.000000E+00
 2.297000E-01
 5.276209E-02
-7.055982E+03
-4.978688E+07
+4.196651E+00
+1.761188E+01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -134,7 +134,7 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-7.692488E+03
-5.917437E+07
+1.474427E+04
+2.173936E+08
 0.000000E+00
 0.000000E+00
diff --git a/tests/regression_tests/photon_production_fission/results_true.dat b/tests/regression_tests/photon_production_fission/results_true.dat
index cdbb1255c..b17b3621a 100644
--- a/tests/regression_tests/photon_production_fission/results_true.dat
+++ b/tests/regression_tests/photon_production_fission/results_true.dat
@@ -32,14 +32,14 @@ tally 2:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-2.479234E+06
-2.052367E+12
+1.675918E+05
+9.365733E+09
 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-2.479234E+06
-2.052367E+12
+1.675918E+05
+9.365733E+09
 0.000000E+00
 0.000000E+00
 tally 3:
@@ -57,13 +57,13 @@ tally 3:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-2.479234E+06
-2.052367E+12
+1.675918E+05
+9.365733E+09
 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-2.479234E+06
-2.052367E+12
+1.675918E+05
+9.365733E+09
 0.000000E+00
 0.000000E+00
diff --git a/tests/unit_tests/test_photon_heating.py b/tests/unit_tests/test_photon_heating.py
new file mode 100644
index 000000000..05473f5c6
--- /dev/null
+++ b/tests/unit_tests/test_photon_heating.py
@@ -0,0 +1,30 @@
+import openmc
+
+
+def test_negative_positron_heating():
+    m = openmc.Material()
+    m.add_element('Li', 1.0)
+    m.set_density('g/cm3', 10.0)
+
+    surf = openmc.Sphere(r=100.0, boundary_type='reflective')
+    cell = openmc.Cell(fill=m, region=-surf)
+    model = openmc.Model()
+    model.geometry = openmc.Geometry([cell])
+    model.settings.run_mode = 'fixed source'
+    model.settings.source = openmc.IndependentSource(
+        space=openmc.stats.Point(),
+        energy=openmc.stats.Discrete([5.0e6], [1.0]),
+        particle='photon',
+    )
+    model.settings.particles = 7
+    model.settings.batches = 1
+    model.settings.electron_treatment = 'led'
+    model.settings.seed = 513836
+
+    tally = openmc.Tally()
+    tally.filters = [openmc.ParticleFilter(['photon', 'electron', 'positron'])]
+    tally.scores = ['heating']
+    model.tallies = openmc.Tallies([tally])
+    model.run(apply_tally_results=True)
+
+    assert (tally.mean >= 0.0).all(), "Negative heating detected"

From 67aa0def9deabae1cc012214d5b96367c5743dcf Mon Sep 17 00:00:00 2001
From: John Tramm <john.tramm@gmail.com>
Date: Fri, 6 Jun 2025 14:51:39 -0500
Subject: [PATCH 2315/2654] Random Ray External Source Plotting Fix (#3430)

---
 src/random_ray/flat_source_domain.cpp | 9 ++++++++-
 1 file changed, 8 insertions(+), 1 deletion(-)

diff --git a/src/random_ray/flat_source_domain.cpp b/src/random_ray/flat_source_domain.cpp
index cd073f350..367c63af4 100644
--- a/src/random_ray/flat_source_domain.cpp
+++ b/src/random_ray/flat_source_domain.cpp
@@ -919,10 +919,17 @@ void FlatSourceDomain::output_to_vtk() const
       std::fprintf(plot, "LOOKUP_TABLE default\n");
       for (int i = 0; i < Nx * Ny * Nz; i++) {
         int64_t fsr = voxel_indices[i];
+        int mat = source_regions_.material(fsr);
         float total_external = 0.0f;
         if (fsr >= 0) {
           for (int g = 0; g < negroups_; g++) {
-            total_external += source_regions_.external_source(fsr, g);
+            // External sources are already divided by sigma_t, so we need to
+            // multiply it back to get the true external source.
+            double sigma_t = 1.0;
+            if (mat != MATERIAL_VOID) {
+              sigma_t = sigma_t_[mat * negroups_ + g];
+            }
+            total_external += source_regions_.external_source(fsr, g) * sigma_t;
           }
         }
         total_external = convert_to_big_endian<float>(total_external);

From 7fda3eb84695f6b147705e3b0fd4a65a49e0735b Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 6 Jun 2025 16:30:50 -0500
Subject: [PATCH 2316/2654] Implement a new MeshMaterialFilter (#3406)

Co-authored-by: Jonathan Shimwell <drshimwell@gmail.com>
Co-authored-by: Patrick Shriwise <pshriwise@gmail.com>
---
 CMakeLists.txt                               |   1 +
 docs/source/pythonapi/base.rst               |   1 +
 include/openmc/tallies/filter.h              |   1 +
 include/openmc/tallies/filter_mesh.h         |   6 +-
 include/openmc/tallies/filter_meshmaterial.h | 114 +++++++++++
 openmc/deplete/microxs.py                    |   9 +-
 openmc/filter.py                             | 190 ++++++++++++++++++-
 openmc/lib/filter.py                         |  20 +-
 openmc/tallies.py                            |   2 +-
 src/tallies/filter.cpp                       |   3 +
 src/tallies/filter_meshmaterial.cpp          | 185 ++++++++++++++++++
 tests/unit_tests/test_filter_meshmaterial.py |  65 +++++++
 tests/unit_tests/test_filters.py             |  33 ++++
 13 files changed, 614 insertions(+), 16 deletions(-)
 create mode 100644 include/openmc/tallies/filter_meshmaterial.h
 create mode 100644 src/tallies/filter_meshmaterial.cpp
 create mode 100644 tests/unit_tests/test_filter_meshmaterial.py

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 4dff35418..6665682dd 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -414,6 +414,7 @@ list(APPEND libopenmc_SOURCES
   src/tallies/filter_materialfrom.cpp
   src/tallies/filter_mesh.cpp
   src/tallies/filter_meshborn.cpp
+  src/tallies/filter_meshmaterial.cpp
   src/tallies/filter_meshsurface.cpp
   src/tallies/filter_mu.cpp
   src/tallies/filter_musurface.cpp
diff --git a/docs/source/pythonapi/base.rst b/docs/source/pythonapi/base.rst
index 1d8a93d47..d0e7d2439 100644
--- a/docs/source/pythonapi/base.rst
+++ b/docs/source/pythonapi/base.rst
@@ -129,6 +129,7 @@ Constructing Tallies
    openmc.SurfaceFilter
    openmc.MeshFilter
    openmc.MeshBornFilter
+   openmc.MeshMaterialFilter
    openmc.MeshSurfaceFilter
    openmc.EnergyFilter
    openmc.EnergyoutFilter
diff --git a/include/openmc/tallies/filter.h b/include/openmc/tallies/filter.h
index ee635b183..65098597a 100644
--- a/include/openmc/tallies/filter.h
+++ b/include/openmc/tallies/filter.h
@@ -33,6 +33,7 @@ enum class FilterType {
   MATERIALFROM,
   MESH,
   MESHBORN,
+  MESH_MATERIAL,
   MESH_SURFACE,
   MU,
   MUSURFACE,
diff --git a/include/openmc/tallies/filter_mesh.h b/include/openmc/tallies/filter_mesh.h
index 2f48b6d4d..4c9460d2e 100644
--- a/include/openmc/tallies/filter_mesh.h
+++ b/include/openmc/tallies/filter_mesh.h
@@ -9,9 +9,9 @@
 namespace openmc {
 
 //==============================================================================
-//! Indexes the location of particle events to a regular mesh.  For tracklength
-//! tallies, it will produce multiple valid bins and the bin weight will
-//! correspond to the fraction of the track length that lies in that bin.
+//! Indexes the location of particle events to a mesh. For tracklength tallies,
+//! it will produce multiple valid bins and the bin weight will correspond to
+//! the fraction of the track length that lies in that bin.
 //==============================================================================
 
 class MeshFilter : public Filter {
diff --git a/include/openmc/tallies/filter_meshmaterial.h b/include/openmc/tallies/filter_meshmaterial.h
new file mode 100644
index 000000000..42a4edcf0
--- /dev/null
+++ b/include/openmc/tallies/filter_meshmaterial.h
@@ -0,0 +1,114 @@
+#ifndef OPENMC_TALLIES_FILTER_MESHMATERIAL_H
+#define OPENMC_TALLIES_FILTER_MESHMATERIAL_H
+
+#include <cstdint>
+#include <string>
+#include <unordered_map>
+#include <unordered_set>
+
+#include "openmc/position.h"
+#include "openmc/random_ray/source_region.h"
+#include "openmc/span.h"
+#include "openmc/tallies/filter.h"
+#include "openmc/vector.h"
+
+namespace openmc {
+
+//==============================================================================
+//! Helper structs that define a combination of a mesh element index and a
+//! material index and a functor for hashing to place in an unordered_map
+//==============================================================================
+
+struct ElementMat {
+  //! Check for equality
+  bool operator==(const ElementMat& other) const
+  {
+    return index_element == other.index_element && index_mat == other.index_mat;
+  }
+
+  int32_t index_element;
+  int32_t index_mat;
+};
+
+struct ElementMatHash {
+  std::size_t operator()(const ElementMat& k) const
+  {
+    size_t seed = 0;
+    hash_combine(seed, k.index_element);
+    hash_combine(seed, k.index_mat);
+    return seed;
+  }
+};
+
+//==============================================================================
+//! Indexes the location of particle events to combinations of mesh element
+//! index and material.  For tracklength tallies, it will produce multiple valid
+//! bins and the bin weight will correspond to the fraction of the track length
+//! that lies in that bin.
+//==============================================================================
+
+class MeshMaterialFilter : public Filter {
+public:
+  //----------------------------------------------------------------------------
+  // Constructors, destructors
+
+  ~MeshMaterialFilter() = default;
+
+  //----------------------------------------------------------------------------
+  // Methods
+
+  std::string type_str() const override { return "meshmaterial"; }
+  FilterType type() const override { return FilterType::MESH_MATERIAL; }
+
+  void from_xml(pugi::xml_node node) override;
+
+  void get_all_bins(const Particle& p, TallyEstimator estimator,
+    FilterMatch& match) const override;
+
+  void to_statepoint(hid_t filter_group) const override;
+
+  std::string text_label(int bin) const override;
+
+  //----------------------------------------------------------------------------
+  // Accessors
+
+  int32_t mesh() const { return mesh_; }
+
+  void set_mesh(int32_t mesh);
+
+  //! Set the bins based on a flat vector of alternating element index and
+  //! material IDs
+  void set_bins(span<int32_t> bins);
+
+  //! Set the bins based on a vector of (element, material index) pairs
+  void set_bins(vector<ElementMat>&& bins);
+
+  virtual void set_translation(const Position& translation);
+
+  virtual void set_translation(const double translation[3]);
+
+  virtual const Position& translation() const { return translation_; }
+
+  virtual bool translated() const { return translated_; }
+
+private:
+  //----------------------------------------------------------------------------
+  // Data members
+
+  int32_t mesh_;            //!< Index of the mesh
+  bool translated_ {false}; //!< Whether or not the filter is translated
+  Position translation_ {0.0, 0.0, 0.0}; //!< Filter translation
+
+  //! The indices of the mesh element-material combinations binned by this
+  //! filter.
+  vector<ElementMat> bins_;
+
+  //! The set of materials used in this filter
+  std::unordered_set<int32_t> materials_;
+
+  //! A map from mesh element-material indices to filter bin indices.
+  std::unordered_map<ElementMat, int32_t, ElementMatHash> map_;
+};
+
+} // namespace openmc
+#endif // OPENMC_TALLIES_FILTER_MESHMATERIAL_H
diff --git a/openmc/deplete/microxs.py b/openmc/deplete/microxs.py
index bbe9b2a43..686d3bc38 100644
--- a/openmc/deplete/microxs.py
+++ b/openmc/deplete/microxs.py
@@ -56,8 +56,8 @@ def get_microxs_and_flux(
     ----------
     model : openmc.Model
         OpenMC model object. Must contain geometry, materials, and settings.
-    domains : list of openmc.Material or openmc.Cell or openmc.Universe, or openmc.MeshBase
-        Domains in which to tally reaction rates.
+    domains : list of openmc.Material or openmc.Cell or openmc.Universe, or openmc.MeshBase, or openmc.Filter
+        Domains in which to tally reaction rates, or a spatial tally filter.
     nuclides : list of str
         Nuclides to get cross sections for. If not specified, all burnable
         nuclides from the depletion chain file are used.
@@ -103,7 +103,10 @@ def get_microxs_and_flux(
         energy_filter = openmc.EnergyFilter.from_group_structure(energies)
     else:
         energy_filter = openmc.EnergyFilter(energies)
-    if isinstance(domains, openmc.MeshBase):
+
+    if isinstance(domains, openmc.Filter):
+        domain_filter = domains
+    elif isinstance(domains, openmc.MeshBase):
         domain_filter = openmc.MeshFilter(domains)
     elif isinstance(domains[0], openmc.Material):
         domain_filter = openmc.MaterialFilter(domains)
diff --git a/openmc/filter.py b/openmc/filter.py
index 4d37f1055..f29c54085 100644
--- a/openmc/filter.py
+++ b/openmc/filter.py
@@ -25,7 +25,8 @@ _FILTER_TYPES = (
     'energyout', 'mu', 'musurface', 'polar', 'azimuthal', 'distribcell', 'delayedgroup',
     'energyfunction', 'cellfrom', 'materialfrom', 'legendre', 'spatiallegendre',
     'sphericalharmonics', 'zernike', 'zernikeradial', 'particle', 'cellinstance',
-    'collision', 'time', 'parentnuclide', 'weight'
+    'collision', 'time', 'parentnuclide', 'weight', 'meshborn', 'meshsurface',
+    'meshmaterial',
 )
 
 _CURRENT_NAMES = (
@@ -900,8 +901,6 @@ class MeshFilter(Filter):
 
     @property
     def shape(self):
-        if isinstance(self, MeshSurfaceFilter):
-            return (self.num_bins,)
         return self.mesh.dimension
 
     @property
@@ -992,8 +991,11 @@ class MeshFilter(Filter):
             XML element containing filter data
 
         """
-        element = super().to_xml_element()
-        element[0].text = str(self.mesh.id)
+        element = ET.Element('filter')
+        element.set('id', str(self.id))
+        element.set('type', self.short_name.lower())
+        subelement = ET.SubElement(element, 'bins')
+        subelement.text = str(self.mesh.id)
         if self.translation is not None:
             element.set('translation', ' '.join(map(str, self.translation)))
         return element
@@ -1039,6 +1041,181 @@ class MeshBornFilter(MeshFilter):
     """
 
 
+class MeshMaterialFilter(MeshFilter):
+    """Filter events by combinations of mesh elements and materials.
+
+    .. versionadded:: 0.15.3
+
+    Parameters
+    ----------
+    mesh : openmc.MeshBase
+        The mesh object that events will be tallied onto
+    bins : iterable of 2-tuples or numpy.ndarray
+        Combinations of (mesh element, material) to tally, given as 2-tuples.
+        The first value in the tuple represents the index of the mesh element,
+        and the second value indicates the material (either a
+        :class:`openmc.Material` instance of the ID).
+    filter_id : int
+        Unique identifier for the filter
+
+    """
+    def __init__(self, mesh: openmc.MeshBase, bins, filter_id=None):
+        self.mesh = mesh
+        self.bins = bins
+        self.id = filter_id
+        self._translation = None
+
+    @classmethod
+    def from_volumes(cls, mesh: openmc.MeshBase, volumes: openmc.MeshMaterialVolumes):
+        """Construct a MeshMaterialFilter from a MeshMaterialVolumes object.
+
+        Parameters
+        ----------
+        mesh : openmc.MeshBase
+            The mesh object that events will be tallied onto
+        volumes : openmc.MeshMaterialVolumes
+            The mesh material volumes to use for the filter
+
+        Returns
+        -------
+        MeshMaterialFilter
+            A new MeshMaterialFilter instance
+
+        """
+        bins = list(zip(*np.where(volumes._materials > -1)))
+        return cls(mesh, bins)
+
+    def __hash__(self):
+        data = (type(self).__name__, self.mesh.id, tuple(self.bins.ravel()))
+        return hash(data)
+
+    def __repr__(self):
+        string = type(self).__name__ + '\n'
+        string += '{: <16}=\t{}\n'.format('\tID', self.id)
+        string += '{: <16}=\t{}\n'.format('\tMesh ID', self.mesh.id)
+        string += '{: <16}=\n{}\n'.format('\tBins', self.bins)
+        string += '{: <16}=\t{}\n'.format('\tTranslation', self.translation)
+        return string
+
+    @property
+    def shape(self):
+        return (self.num_bins,)
+
+    @property
+    def mesh(self):
+        return self._mesh
+
+    @mesh.setter
+    def mesh(self, mesh):
+        cv.check_type('filter mesh', mesh, openmc.MeshBase)
+        self._mesh = mesh
+
+    @Filter.bins.setter
+    def bins(self, bins):
+        pairs = np.empty((len(bins), 2), dtype=int)
+        for i, (elem, mat) in enumerate(bins):
+            cv.check_type('element', elem, Integral)
+            cv.check_type('material', mat, (Integral, openmc.Material))
+            pairs[i, 0] = elem
+            pairs[i, 1] = mat if isinstance(mat, Integral) else mat.id
+        self._bins = pairs
+
+    def to_xml_element(self):
+        """Return XML element representing the filter.
+
+        Returns
+        -------
+        element : lxml.etree._Element
+            XML element containing filter data
+
+        """
+        element = ET.Element('filter')
+        element.set('id', str(self.id))
+        element.set('type', self.short_name.lower())
+        element.set('mesh', str(self.mesh.id))
+
+        if self.translation is not None:
+            element.set('translation', ' '.join(map(str, self.translation)))
+
+        subelement = ET.SubElement(element, 'bins')
+        subelement.text = ' '.join(str(i) for i in self.bins.ravel())
+
+        return element
+
+    @classmethod
+    def from_xml_element(cls, elem: ET.Element, **kwargs) -> MeshMaterialFilter:
+        filter_id = int(elem.get('id'))
+        mesh_id = int(elem.get('mesh'))
+        mesh_obj = kwargs['meshes'][mesh_id]
+        bins = [int(x) for x in get_text(elem, 'bins').split()]
+        bins = list(zip(bins[::2], bins[1::2]))
+        out = cls(mesh_obj, bins, filter_id=filter_id)
+
+        translation = elem.get('translation')
+        if translation:
+            out.translation = [float(x) for x in translation.split()]
+        return out
+
+    @classmethod
+    def from_hdf5(cls, group, **kwargs):
+        if group['type'][()].decode() != cls.short_name.lower():
+            raise ValueError("Expected HDF5 data for filter type '"
+                             + cls.short_name.lower() + "' but got '"
+                             + group['type'][()].decode() + " instead")
+
+        if 'meshes' not in kwargs:
+            raise ValueError(cls.__name__ + " requires a 'meshes' keyword "
+                             "argument.")
+
+        mesh_id = group['mesh'][()]
+        mesh_obj = kwargs['meshes'][mesh_id]
+        bins = group['bins'][()]
+        filter_id = int(group.name.split('/')[-1].lstrip('filter '))
+        out = cls(mesh_obj, bins, filter_id=filter_id)
+
+        translation = group.get('translation')
+        if translation:
+            out.translation = translation[()]
+
+        return out
+
+    def get_pandas_dataframe(self, data_size, stride, **kwargs):
+        """Builds a Pandas DataFrame for the Filter's bins.
+
+        This method constructs a Pandas DataFrame object for the filter with
+        columns annotated by filter bin information. This is a helper method for
+        :meth:`Tally.get_pandas_dataframe`.
+
+        Parameters
+        ----------
+        data_size : int
+            The total number of bins in the tally corresponding to this filter
+        stride : int
+            Stride in memory for the filter
+
+        Returns
+        -------
+        pandas.DataFrame
+            A Pandas DataFrame with a multi-index column for the cell instance.
+            The number of rows in the DataFrame is the same as the total number
+            of bins in the corresponding tally, with the filter bin appropriately
+            tiled to map to the corresponding tally bins.
+
+        See also
+        --------
+        Tally.get_pandas_dataframe(), CrossFilter.get_pandas_dataframe()
+
+        """
+        # Repeat and tile bins as necessary to account for other filters.
+        bins = np.repeat(self.bins, stride, axis=0)
+        tile_factor = data_size // len(bins)
+        bins = np.tile(bins, (tile_factor, 1))
+
+        columns = pd.MultiIndex.from_product([[self.short_name.lower()],
+                                              ['element', 'material']])
+        return pd.DataFrame(bins, columns=columns)
+
+
 class MeshSurfaceFilter(MeshFilter):
     """Filter events by surface crossings on a mesh.
 
@@ -1065,6 +1242,9 @@ class MeshSurfaceFilter(MeshFilter):
         The number of filter bins
 
     """
+    @property
+    def shape(self):
+        return (self.num_bins,)
 
     @MeshFilter.mesh.setter
     def mesh(self, mesh):
diff --git a/openmc/lib/filter.py b/openmc/lib/filter.py
index 3a76b52a1..55b681d89 100644
--- a/openmc/lib/filter.py
+++ b/openmc/lib/filter.py
@@ -21,10 +21,10 @@ __all__ = [
     'CellInstanceFilter', 'CollisionFilter', 'DistribcellFilter', 'DelayedGroupFilter',
     'EnergyFilter', 'EnergyoutFilter', 'EnergyFunctionFilter', 'LegendreFilter',
     'MaterialFilter', 'MaterialFromFilter', 'MeshFilter', 'MeshBornFilter',
-    'MeshSurfaceFilter', 'MuFilter', 'MuSurfaceFilter', 'ParentNuclideFilter',
-    'ParticleFilter', 'PolarFilter', 'SphericalHarmonicsFilter',
-    'SpatialLegendreFilter', 'SurfaceFilter', 'UniverseFilter', 'ZernikeFilter',
-    'ZernikeRadialFilter', 'filters'
+    'MeshMaterialFilter', 'MeshSurfaceFilter', 'MuFilter', 'MuSurfaceFilter',
+    'ParentNuclideFilter', 'ParticleFilter', 'PolarFilter', 'SphericalHarmonicsFilter',
+    'SpatialLegendreFilter', 'SurfaceFilter', 'TimeFilter', 'UniverseFilter',
+    'WeightFilter', 'ZernikeFilter', 'ZernikeRadialFilter', 'filters'
 ]
 
 # Tally functions
@@ -480,6 +480,10 @@ class MeshBornFilter(Filter):
         _dll.openmc_meshborn_filter_set_translation(self._index, (c_double*3)(*translation))
 
 
+class MeshMaterialFilter(Filter):
+    filter_type = 'meshmaterial'
+
+
 class MeshSurfaceFilter(Filter):
     """MeshSurface filter stored internally.
 
@@ -606,6 +610,10 @@ class SurfaceFilter(Filter):
     filter_type = 'surface'
 
 
+class TimeFilter(Filter):
+    filter_type = 'time'
+
+
 class UniverseFilter(Filter):
     filter_type = 'universe'
 
@@ -643,6 +651,7 @@ _FILTER_TYPE_MAP = {
     'cellborn': CellbornFilter,
     'cellfrom': CellfromFilter,
     'cellinstance': CellInstanceFilter,
+    'collision': CollisionFilter,
     'delayedgroup': DelayedGroupFilter,
     'distribcell': DistribcellFilter,
     'energy': EnergyFilter,
@@ -653,6 +662,7 @@ _FILTER_TYPE_MAP = {
     'materialfrom': MaterialFromFilter,
     'mesh': MeshFilter,
     'meshborn': MeshBornFilter,
+    'meshmaterial': MeshMaterialFilter,
     'meshsurface': MeshSurfaceFilter,
     'mu': MuFilter,
     'musurface': MuSurfaceFilter,
@@ -662,7 +672,9 @@ _FILTER_TYPE_MAP = {
     'sphericalharmonics': SphericalHarmonicsFilter,
     'spatiallegendre': SpatialLegendreFilter,
     'surface': SurfaceFilter,
+    'time': TimeFilter,
     'universe': UniverseFilter,
+    'weight': WeightFilter,
     'zernike': ZernikeFilter,
     'zernikeradial': ZernikeRadialFilter
 }
diff --git a/openmc/tallies.py b/openmc/tallies.py
index e990a95f7..06de0205c 100644
--- a/openmc/tallies.py
+++ b/openmc/tallies.py
@@ -1575,7 +1575,7 @@ class Tally(IDManagerMixin):
         for i, f in enumerate(self.filters):
             if expand_dims:
                 # Mesh filter indices are backwards so we need to flip them
-                if isinstance(f, openmc.MeshFilter):
+                if type(f) in {openmc.MeshFilter, openmc.MeshBornFilter}:
                     fshape = f.shape[::-1]
                     new_shape += fshape
                     idx0, idx1 = i, i + len(fshape) - 1
diff --git a/src/tallies/filter.cpp b/src/tallies/filter.cpp
index 17e57a987..79817981d 100644
--- a/src/tallies/filter.cpp
+++ b/src/tallies/filter.cpp
@@ -25,6 +25,7 @@
 #include "openmc/tallies/filter_materialfrom.h"
 #include "openmc/tallies/filter_mesh.h"
 #include "openmc/tallies/filter_meshborn.h"
+#include "openmc/tallies/filter_meshmaterial.h"
 #include "openmc/tallies/filter_meshsurface.h"
 #include "openmc/tallies/filter_mu.h"
 #include "openmc/tallies/filter_musurface.h"
@@ -133,6 +134,8 @@ Filter* Filter::create(const std::string& type, int32_t id)
     return Filter::create<MeshFilter>(id);
   } else if (type == "meshborn") {
     return Filter::create<MeshBornFilter>(id);
+  } else if (type == "meshmaterial") {
+    return Filter::create<MeshMaterialFilter>(id);
   } else if (type == "meshsurface") {
     return Filter::create<MeshSurfaceFilter>(id);
   } else if (type == "mu") {
diff --git a/src/tallies/filter_meshmaterial.cpp b/src/tallies/filter_meshmaterial.cpp
new file mode 100644
index 000000000..6e1f30380
--- /dev/null
+++ b/src/tallies/filter_meshmaterial.cpp
@@ -0,0 +1,185 @@
+#include "openmc/tallies/filter_meshmaterial.h"
+
+#include <utility> // for move
+
+#include <fmt/core.h>
+
+#include "openmc/capi.h"
+#include "openmc/constants.h"
+#include "openmc/container_util.h"
+#include "openmc/error.h"
+#include "openmc/material.h"
+#include "openmc/mesh.h"
+#include "openmc/xml_interface.h"
+
+namespace openmc {
+
+void MeshMaterialFilter::from_xml(pugi::xml_node node)
+{
+  // Get mesh ID
+  auto mesh = get_node_array<int32_t>(node, "mesh");
+  if (mesh.size() != 1) {
+    fatal_error(
+      "Only one mesh can be specified per " + type_str() + " mesh filter.");
+  }
+
+  auto id = mesh[0];
+  auto search = model::mesh_map.find(id);
+  if (search == model::mesh_map.end()) {
+    fatal_error(
+      fmt::format("Could not find mesh {} specified on tally filter.", id));
+  }
+  set_mesh(search->second);
+
+  // Get pairs of (element index, material) and set the bins
+  auto bins = get_node_array<int32_t>(node, "bins");
+  this->set_bins(bins);
+
+  if (check_for_node(node, "translation")) {
+    set_translation(get_node_array<double>(node, "translation"));
+  }
+}
+
+void MeshMaterialFilter::set_bins(span<int32_t> bins)
+{
+  if (bins.size() % 2 != 0) {
+    fatal_error(
+      fmt::format("Size of mesh material bins is not even: {}", bins.size()));
+  }
+
+  // Create a vector of ElementMat pairs from the flat vector of bins
+  vector<ElementMat> element_mats;
+  for (int64_t i = 0; i < bins.size() / 2; ++i) {
+    int32_t element = bins[2 * i];
+    int32_t mat_id = bins[2 * i + 1];
+    auto search = model::material_map.find(mat_id);
+    if (search == model::material_map.end()) {
+      fatal_error(fmt::format(
+        "Could not find material {} specified on tally filter.", mat_id));
+    }
+    int32_t mat_index = search->second;
+    element_mats.push_back({element, mat_index});
+  }
+
+  this->set_bins(std::move(element_mats));
+}
+
+void MeshMaterialFilter::set_bins(vector<ElementMat>&& bins)
+{
+  // Swap internal bins_ with the provided vector to avoid copying
+  bins_.swap(bins);
+
+  // Clear and update the mapping and vector of materials
+  materials_.clear();
+  map_.clear();
+  for (std::size_t i = 0; i < bins_.size(); ++i) {
+    const auto& x = bins_[i];
+    assert(x.index_mat >= 0);
+    assert(x.index_mat < model::materials.size());
+    materials_.insert(x.index_mat);
+    map_[x] = i;
+  }
+
+  n_bins_ = bins_.size();
+}
+
+void MeshMaterialFilter::set_mesh(int32_t mesh)
+{
+  // perform any additional perparation for mesh tallies here
+  mesh_ = mesh;
+  model::meshes[mesh_]->prepare_for_point_location();
+}
+
+void MeshMaterialFilter::set_translation(const Position& translation)
+{
+  translated_ = true;
+  translation_ = translation;
+}
+
+void MeshMaterialFilter::set_translation(const double translation[3])
+{
+  this->set_translation({translation[0], translation[1], translation[2]});
+}
+
+void MeshMaterialFilter::get_all_bins(
+  const Particle& p, TallyEstimator estimator, FilterMatch& match) const
+{
+  // If current material is not in any bins, don't bother checking
+  if (!contains(materials_, p.material())) {
+    return;
+  }
+
+  Position last_r = p.r_last();
+  Position r = p.r();
+  Position u = p.u();
+
+  // apply translation if present
+  if (translated_) {
+    last_r -= translation();
+    r -= translation();
+  }
+
+  if (estimator != TallyEstimator::TRACKLENGTH) {
+    int32_t index_element = model::meshes[mesh_]->get_bin(r);
+    if (index_element >= 0) {
+      auto search = map_.find({index_element, p.material()});
+      if (search != map_.end()) {
+        match.bins_.push_back(search->second);
+        match.weights_.push_back(1.0);
+      }
+    }
+  } else {
+    // First determine which elements the particle crosses (may or may not
+    // actually match bins so we have to adjust bins_/weight_ after)
+    int32_t n_start = match.bins_.size();
+    model::meshes[mesh_]->bins_crossed(
+      last_r, r, u, match.bins_, match.weights_);
+    int32_t n_end = match.bins_.size();
+
+    // Go through bins and weights and check which ones are actually a match
+    // based on the (element, material) pair. For matches, overwrite the bin.
+    int i = 0;
+    for (int j = n_start; j < n_end; ++j) {
+      int32_t index_element = match.bins_[j];
+      double weight = match.weights_[j];
+      auto search = map_.find({index_element, p.material()});
+      if (search != map_.end()) {
+        match.bins_[n_start + i] = search->second;
+        match.weights_[n_start + i] = weight;
+        ++i;
+      }
+    }
+
+    // Resize the vectors to remove the unmatched bins
+    match.bins_.resize(n_start + i);
+  }
+}
+
+void MeshMaterialFilter::to_statepoint(hid_t filter_group) const
+{
+  Filter::to_statepoint(filter_group);
+  write_dataset(filter_group, "mesh", model::meshes[mesh_]->id_);
+
+  size_t n = bins_.size();
+  xt::xtensor<size_t, 2> data({n, 2});
+  for (int64_t i = 0; i < n; ++i) {
+    const auto& x = bins_[i];
+    data(i, 0) = x.index_element;
+    data(i, 1) = model::materials[x.index_mat]->id_;
+  }
+  write_dataset(filter_group, "bins", data);
+
+  if (translated_) {
+    write_dataset(filter_group, "translation", translation_);
+  }
+}
+
+std::string MeshMaterialFilter::text_label(int bin) const
+{
+  auto& x = bins_[bin];
+  auto& mesh = *model::meshes.at(mesh_);
+  return fmt::format("Mesh {}, {}, Material {}", mesh.id(),
+    mesh.bin_label(x.index_element), model::materials[x.index_mat]->id_);
+}
+
+} // namespace openmc
diff --git a/tests/unit_tests/test_filter_meshmaterial.py b/tests/unit_tests/test_filter_meshmaterial.py
new file mode 100644
index 000000000..120533209
--- /dev/null
+++ b/tests/unit_tests/test_filter_meshmaterial.py
@@ -0,0 +1,65 @@
+import numpy as np
+import openmc
+from pytest import approx
+
+
+def test_filter_mesh_material(run_in_tmpdir):
+    # Create four identical materials
+    openmc.reset_auto_ids()
+    materials = []
+    for i in range(4):
+        mat = openmc.Material()
+        mat.add_nuclide('Fe56', 1.0)
+        materials.append(mat)
+
+    # Create a slab model with four cells
+    z_values = [-10., -5., 0., 5., 10.]
+    planes = [openmc.ZPlane(z) for z in z_values]
+    planes[0].boundary_type = 'vacuum'
+    planes[-1].boundary_type = 'vacuum'
+    regions = [+left & -right for left, right in zip(planes[:-1], planes[1:])]
+    cells = [openmc.Cell(fill=m, region=r) for r, m in zip(regions, materials)]
+    model = openmc.Model()
+    model.geometry = openmc.Geometry(cells)
+    model.settings.particles = 1_000
+    model.settings.batches = 5
+    model.settings.run_mode = 'fixed source'
+
+    # Create a mesh that does not align with all planar surfaces
+    mesh = openmc.RegularMesh()
+    mesh.lower_left = (-1., -1., -10.)
+    mesh.upper_right = (1., 1., 10.)
+    mesh.dimension = (1, 1, 5)
+
+    # Determine material volumes in each mesh element and use result to create a
+    # MeshMaterialFilter with corresponding bins
+    vols = mesh.material_volumes(model)
+    mmf = openmc.MeshMaterialFilter.from_volumes(mesh, vols)
+    expected_bins = [(0, 1), (1, 1), (1, 2), (2, 2), (2, 3), (3, 3), (3, 4), (4, 4)]
+    np.testing.assert_equal(mmf.bins, expected_bins)
+
+    # Create two tallies, one with a mesh filter and one with mesh-material
+    mesh_tally = openmc.Tally()
+    mesh_tally.filters = [openmc.MeshFilter(mesh)]
+    mesh_tally.scores = ['flux']
+    mesh_material_tally = openmc.Tally()
+    mesh_material_tally.filters = [mmf]
+    mesh_material_tally.scores = ['flux']
+    model.tallies = [mesh_tally, mesh_material_tally]
+
+    # Run model to get results on the two tallies
+    model.run(apply_tally_results=True)
+
+    # The sum of the flux in each mesh-material combination within a single mesh
+    # element should be equal to the flux in that mesh element
+    mesh_mean = mesh_tally.mean.ravel()
+    meshmat_mean = mesh_material_tally.mean.ravel()
+    assert mesh_mean[0] == approx(meshmat_mean[0])
+    assert mesh_mean[1] == approx(meshmat_mean[1] + meshmat_mean[2])
+    assert mesh_mean[2] == approx(meshmat_mean[3] + meshmat_mean[4])
+    assert mesh_mean[3] == approx(meshmat_mean[5] + meshmat_mean[6])
+    assert mesh_mean[4] == approx(meshmat_mean[7])
+    assert mesh_tally.mean.sum() == approx(mesh_material_tally.mean.sum())
+
+    # Make sure get_pandas_dataframe method works
+    mesh_material_tally.get_pandas_dataframe()
diff --git a/tests/unit_tests/test_filters.py b/tests/unit_tests/test_filters.py
index 60a60e3f5..8c56a310e 100644
--- a/tests/unit_tests/test_filters.py
+++ b/tests/unit_tests/test_filters.py
@@ -333,3 +333,36 @@ def test_weight():
     new_f = openmc.Filter.from_xml_element(elem)
     assert new_f.id == f.id
     assert np.allclose(new_f.bins, f.bins)
+
+
+def test_mesh_material():
+    mat1 = openmc.Material()
+    mat2 = openmc.Material()
+
+    mesh = openmc.RegularMesh()
+    mesh.lower_left = (-1., -1., -1.)
+    mesh.upper_right = (1., 1., 1.)
+    mesh.dimension = (2, 4, 1)
+    bins = [(0, mat1), (0, mat2), (6, mat1), (7, mat2)]
+    f = openmc.MeshMaterialFilter(mesh, bins)
+
+    expected_bins = [(0, mat1.id), (0, mat2.id), (6, mat1.id), (7, mat2.id)]
+    assert np.allclose(f.bins, expected_bins)
+    assert f.mesh == mesh
+    assert f.shape == (4,)
+
+    # to_xml_element()
+    elem = f.to_xml_element()
+    assert elem.tag == 'filter'
+    assert elem.attrib['type'] == 'meshmaterial'
+
+    # from_xml_element()
+    new_f = openmc.Filter.from_xml_element(elem, meshes={mesh.id: mesh})
+    assert isinstance(new_f, openmc.MeshMaterialFilter)
+    assert new_f.id == f.id
+    assert new_f.mesh == f.mesh
+    assert np.allclose(new_f.bins, expected_bins)
+
+    # Test hash and str
+    hash(f)
+    str(f)

From 56b44aa4e8ed8e8c55a8f4a7ec0c347fe9390449 Mon Sep 17 00:00:00 2001
From: John Tramm <john.tramm@gmail.com>
Date: Tue, 10 Jun 2025 09:13:08 -0500
Subject: [PATCH 2317/2654] Random Ray Missed Cell Policy Change for Adjoint
 Mode (#3434)

---
 src/random_ray/flat_source_domain.cpp         |   2 +-
 .../flat/results_true.dat                     | 340 +++++++++---------
 .../linear/results_true.dat                   | 254 ++++++-------
 3 files changed, 298 insertions(+), 298 deletions(-)

diff --git a/src/random_ray/flat_source_domain.cpp b/src/random_ray/flat_source_domain.cpp
index 367c63af4..9df6513ae 100644
--- a/src/random_ray/flat_source_domain.cpp
+++ b/src/random_ray/flat_source_domain.cpp
@@ -298,7 +298,7 @@ int64_t FlatSourceDomain::add_source_to_scalar_flux()
         // in the cell we will use the previous iteration's flux estimate. This
         // injects a small degree of correlation into the simulation, but this
         // is going to be trivial when the miss rate is a few percent or less.
-        if (source_regions_.external_source_present(sr) && !adjoint_) {
+        if (source_regions_.external_source_present(sr)) {
           set_flux_to_old_flux(sr, g);
         } else {
           set_flux_to_source(sr, g);
diff --git a/tests/regression_tests/weightwindows_fw_cadis_mesh/flat/results_true.dat b/tests/regression_tests/weightwindows_fw_cadis_mesh/flat/results_true.dat
index e14b7e199..0354501d1 100644
--- a/tests/regression_tests/weightwindows_fw_cadis_mesh/flat/results_true.dat
+++ b/tests/regression_tests/weightwindows_fw_cadis_mesh/flat/results_true.dat
@@ -36,15 +36,15 @@ Lower Bounds
 1.73e-01
 2.44e-01
 3.63e-01
-1.23e-01
+1.22e-01
 1.71e-01
 1.66e-01
 1.69e-01
-1.71e-01
+1.70e-01
 1.67e-01
 1.71e-01
 1.64e-01
-1.56e-01
+1.55e-01
 1.67e-01
 1.64e-01
 1.68e-01
@@ -96,7 +96,7 @@ Lower Bounds
 1.80e-01
 2.59e-01
 2.97e-01
-1.07e-01
+1.06e-01
 1.68e-01
 1.60e-01
 1.58e-01
@@ -156,7 +156,7 @@ Lower Bounds
 1.49e-01
 2.14e-01
 1.76e-01
-6.71e-02
+6.70e-02
 1.72e-01
 1.66e-01
 1.74e-01
@@ -192,7 +192,7 @@ Lower Bounds
 2.37e-01
 2.51e-01
 2.64e-01
-2.43e-01
+2.42e-01
 2.39e-01
 2.32e-01
 2.32e-01
@@ -209,12 +209,12 @@ Lower Bounds
 2.86e-01
 3.17e-01
 2.60e-01
-2.39e-01
+2.38e-01
 1.88e-01
 1.97e-01
 1.84e-01
 1.50e-01
-9.99e-02
+9.98e-02
 3.88e-02
 1.90e-02
 2.18e-01
@@ -340,7 +340,7 @@ Lower Bounds
 1.65e-01
 1.63e-01
 1.59e-01
-1.58e-01
+1.57e-01
 1.59e-01
 1.54e-01
 1.54e-01
@@ -416,7 +416,7 @@ Lower Bounds
 2.65e-01
 2.54e-01
 2.58e-01
-2.81e-01
+2.80e-01
 2.53e-01
 2.33e-01
 2.40e-01
@@ -503,7 +503,7 @@ Lower Bounds
 3.36e-01
 1.29e-01
 1.57e-01
-1.68e-01
+1.67e-01
 1.66e-01
 1.63e-01
 1.63e-01
@@ -513,7 +513,7 @@ Lower Bounds
 1.56e-01
 1.59e-01
 1.65e-01
-1.60e-01
+1.59e-01
 2.43e-01
 3.30e-01
 1.08e-01
@@ -543,7 +543,7 @@ Lower Bounds
 1.54e-01
 1.56e-01
 1.67e-01
-1.70e-01
+1.69e-01
 2.42e-01
 3.48e-01
 1.32e-01
@@ -661,7 +661,7 @@ Lower Bounds
 2.34e-01
 2.20e-01
 1.88e-01
-1.78e-01
+1.77e-01
 1.34e-01
 1.25e-01
 1.07e-01
@@ -676,7 +676,7 @@ Lower Bounds
 8.09e-02
 8.37e-02
 5.69e-02
-6.46e-02
+6.45e-02
 3.15e-02
 3.86e-02
 3.51e-02
@@ -770,14 +770,14 @@ Lower Bounds
 1.53e-01
 1.64e-01
 2.46e-01
-3.03e-01
+3.02e-01
 1.11e-01
 1.63e-01
 1.59e-01
 1.68e-01
-1.56e-01
+1.59e-01
 1.52e-01
-1.55e-01
+1.54e-01
 1.56e-01
 1.49e-01
 1.49e-01
@@ -850,7 +850,7 @@ Lower Bounds
 1.73e-01
 1.65e-01
 1.70e-01
-7.83e-02
+1.66e-01
 1.73e-01
 1.78e-01
 1.65e-01
@@ -877,7 +877,7 @@ Lower Bounds
 2.14e-01
 8.26e-02
 2.65e-02
-3.07e-01
+3.06e-01
 2.51e-01
 2.10e-01
 2.95e-01
@@ -1091,7 +1091,7 @@ Lower Bounds
 2.30e-01
 2.33e-01
 2.43e-01
-2.46e-01
+2.45e-01
 2.48e-01
 2.46e-01
 2.21e-01
@@ -1124,7 +1124,7 @@ Lower Bounds
 1.07e-01
 8.75e-02
 1.17e-01
-5.68e-02
+5.67e-02
 7.16e-02
 5.22e-02
 3.31e-02
@@ -1317,7 +1317,7 @@ Lower Bounds
 2.20e-01
 2.27e-01
 2.41e-01
-2.35e-01
+2.34e-01
 2.13e-01
 2.04e-01
 2.13e-01
@@ -1359,14 +1359,14 @@ Lower Bounds
 8.92e-03
 1.61e-01
 1.59e-01
-1.57e-01
+1.56e-01
 1.59e-01
 1.51e-01
 1.49e-01
 1.54e-01
 1.51e-01
 1.53e-01
-1.49e-01
+1.48e-01
 1.52e-01
 1.48e-01
 2.27e-01
@@ -1478,12 +1478,12 @@ Lower Bounds
 1.68e-01
 5.02e-02
 1.53e-01
-7.09e-02
+1.48e-01
 1.47e-01
 1.48e-01
 1.43e-01
 1.46e-01
-6.84e-02
+1.42e-01
 1.27e-01
 1.24e-01
 1.31e-01
@@ -1523,7 +1523,7 @@ Lower Bounds
 7.50e-02
 2.64e-02
 1.58e-01
-1.56e-01
+1.55e-01
 1.50e-01
 1.45e-01
 1.50e-01
@@ -1575,7 +1575,7 @@ Lower Bounds
 6.95e-02
 7.10e-02
 4.92e-02
-4.74e-02
+4.73e-02
 3.52e-02
 4.69e-02
 4.03e-02
@@ -1669,7 +1669,7 @@ Lower Bounds
 1.34e-01
 1.36e-01
 1.50e-01
-1.96e-01
+1.95e-01
 1.29e-01
 4.48e-02
 1.49e-01
@@ -1784,7 +1784,7 @@ Lower Bounds
 1.53e-01
 1.76e-01
 1.13e-01
-9.77e-02
+9.76e-02
 8.62e-02
 1.49e-01
 1.29e-01
@@ -1898,7 +1898,7 @@ Lower Bounds
 1.53e-01
 5.25e-02
 1.45e-01
-1.41e-01
+1.44e-01
 1.44e-01
 1.36e-01
 1.36e-01
@@ -1928,13 +1928,13 @@ Lower Bounds
 7.71e-02
 3.01e-02
 1.38e-01
-1.12e-01
+1.35e-01
 1.38e-01
 1.41e-01
 1.44e-01
 1.46e-01
 1.34e-01
-1.11e-01
+1.28e-01
 1.24e-01
 1.20e-01
 1.22e-01
@@ -1955,7 +1955,7 @@ Lower Bounds
 1.21e-01
 1.25e-01
 1.84e-01
-9.19e-02
+9.18e-02
 2.31e-02
 1.48e-01
 1.32e-01
@@ -2039,7 +2039,7 @@ Lower Bounds
 1.55e-01
 1.46e-01
 1.44e-01
-1.48e-01
+1.47e-01
 1.42e-01
 1.44e-01
 1.40e-01
@@ -2067,7 +2067,7 @@ Lower Bounds
 1.43e-01
 1.44e-01
 1.46e-01
-1.54e-01
+1.53e-01
 1.50e-01
 1.51e-01
 1.54e-01
@@ -2214,7 +2214,7 @@ Lower Bounds
 1.83e-02
 2.39e-01
 1.91e-01
-1.79e-01
+1.80e-01
 2.07e-01
 1.97e-01
 2.03e-01
@@ -2238,7 +2238,7 @@ Lower Bounds
 1.30e-01
 1.06e-01
 9.60e-02
-7.07e-02
+7.06e-02
 4.00e-02
 1.71e-02
 7.45e-03
@@ -2343,7 +2343,7 @@ Lower Bounds
 1.32e-01
 1.41e-01
 1.41e-01
-1.40e-01
+1.39e-01
 2.04e-01
 1.15e-01
 3.10e-02
@@ -2471,7 +2471,7 @@ Lower Bounds
 3.06e-02
 3.68e-02
 4.09e-02
-5.27e-02
+5.26e-02
 4.71e-02
 3.30e-02
 4.67e-02
@@ -2493,7 +2493,7 @@ Lower Bounds
 1.53e-01
 1.51e-01
 1.54e-01
-1.45e-01
+1.44e-01
 1.43e-01
 3.50e-02
 1.38e-02
@@ -2533,7 +2533,7 @@ Lower Bounds
 1.54e-01
 1.59e-01
 1.65e-01
-5.07e-02
+1.63e-01
 1.43e-01
 1.52e-01
 1.45e-01
@@ -2548,7 +2548,7 @@ Lower Bounds
 1.55e-01
 1.59e-01
 1.59e-01
-1.53e-01
+1.54e-01
 1.47e-01
 1.53e-01
 1.51e-01
@@ -2648,7 +2648,7 @@ Lower Bounds
 5.02e-02
 1.48e-02
 1.33e-01
-5.34e-02
+1.31e-01
 1.34e-01
 1.36e-01
 1.35e-01
@@ -2678,7 +2678,7 @@ Lower Bounds
 2.21e-02
 7.42e-03
 1.30e-01
-7.03e-02
+7.02e-02
 8.47e-02
 1.05e-01
 8.11e-02
@@ -2726,7 +2726,7 @@ Lower Bounds
 2.10e-01
 2.47e-01
 2.20e-01
-2.21e-01
+2.20e-01
 2.29e-01
 2.22e-01
 2.06e-01
@@ -2776,7 +2776,7 @@ Lower Bounds
 2.54e-01
 2.18e-01
 2.16e-01
-2.24e-01
+2.23e-01
 1.99e-01
 1.77e-01
 1.57e-01
@@ -3026,7 +3026,7 @@ Lower Bounds
 1.80e-01
 2.09e-01
 2.09e-01
-1.83e-01
+1.82e-01
 2.00e-01
 1.82e-01
 1.57e-01
@@ -3120,7 +3120,7 @@ Lower Bounds
 8.59e-02
 7.51e-02
 7.34e-02
-6.11e-02
+6.10e-02
 6.19e-02
 4.42e-02
 3.60e-02
@@ -3164,7 +3164,7 @@ Lower Bounds
 1.09e-01
 8.20e-02
 7.49e-02
-7.94e-02
+7.93e-02
 7.32e-02
 5.71e-02
 3.93e-02
@@ -3188,7 +3188,7 @@ Lower Bounds
 1.79e-02
 8.68e-03
 8.76e-02
-6.94e-02
+6.93e-02
 1.01e-01
 9.79e-02
 5.28e-02
@@ -3236,7 +3236,7 @@ Lower Bounds
 5.48e-02
 7.05e-02
 7.64e-02
-6.19e-02
+6.18e-02
 5.28e-02
 6.84e-02
 5.17e-02
@@ -3404,7 +3404,7 @@ Upper Bounds
 7.61e-01
 8.32e-01
 8.60e-01
-8.42e-01
+8.41e-01
 8.42e-01
 8.32e-01
 8.34e-01
@@ -3412,15 +3412,15 @@ Upper Bounds
 8.65e-01
 1.22e+00
 1.82e+00
-6.13e-01
+6.12e-01
 8.56e-01
-8.32e-01
+8.31e-01
 8.43e-01
-8.53e-01
+8.52e-01
 8.33e-01
 8.57e-01
 8.19e-01
-7.78e-01
+7.77e-01
 8.33e-01
 8.19e-01
 8.41e-01
@@ -3472,8 +3472,8 @@ Upper Bounds
 8.98e-01
 1.29e+00
 1.49e+00
-5.33e-01
-8.40e-01
+5.32e-01
+8.39e-01
 7.98e-01
 7.91e-01
 8.03e-01
@@ -3526,7 +3526,7 @@ Upper Bounds
 7.71e-01
 7.75e-01
 7.58e-01
-7.64e-01
+7.63e-01
 7.06e-01
 7.64e-01
 7.43e-01
@@ -3556,7 +3556,7 @@ Upper Bounds
 8.72e-01
 7.91e-01
 8.39e-01
-7.95e-01
+7.94e-01
 7.87e-01
 7.88e-01
 7.38e-01
@@ -3589,7 +3589,7 @@ Upper Bounds
 9.40e-01
 9.83e-01
 9.19e-01
-7.52e-01
+7.51e-01
 4.99e-01
 1.94e-01
 9.48e-02
@@ -3615,7 +3615,7 @@ Upper Bounds
 8.13e-01
 7.97e-01
 8.76e-01
-8.45e-01
+8.44e-01
 7.95e-01
 8.18e-01
 8.84e-01
@@ -3649,7 +3649,7 @@ Upper Bounds
 8.01e-01
 8.48e-01
 8.52e-01
-8.71e-01
+8.70e-01
 1.31e+00
 1.65e+00
 5.73e-01
@@ -3713,10 +3713,10 @@ Upper Bounds
 1.17e+00
 1.50e+00
 5.74e-01
-8.24e-01
+8.23e-01
 8.15e-01
 7.95e-01
-7.88e-01
+7.87e-01
 7.97e-01
 7.70e-01
 7.69e-01
@@ -3761,7 +3761,7 @@ Upper Bounds
 8.45e-01
 8.73e-01
 8.56e-01
-8.16e-01
+8.15e-01
 8.44e-01
 8.36e-01
 7.99e-01
@@ -3774,11 +3774,11 @@ Upper Bounds
 6.73e-01
 2.04e-01
 8.93e-01
-8.59e-01
+8.60e-01
 8.64e-01
 8.51e-01
 8.70e-01
-8.91e-01
+8.90e-01
 8.41e-01
 7.94e-01
 7.85e-01
@@ -3856,10 +3856,10 @@ Upper Bounds
 8.14e-01
 7.91e-01
 8.00e-01
-7.95e-01
+7.94e-01
 8.24e-01
 8.16e-01
-8.87e-01
+8.86e-01
 1.22e+00
 1.96e+00
 8.18e-01
@@ -3879,7 +3879,7 @@ Upper Bounds
 1.68e+00
 6.47e-01
 7.87e-01
-8.38e-01
+8.37e-01
 8.29e-01
 8.15e-01
 8.16e-01
@@ -3889,13 +3889,13 @@ Upper Bounds
 7.82e-01
 7.95e-01
 8.24e-01
-7.98e-01
+7.97e-01
 1.22e+00
 1.65e+00
 5.42e-01
 8.09e-01
 8.09e-01
-8.05e-01
+8.04e-01
 7.72e-01
 8.14e-01
 8.20e-01
@@ -3919,7 +3919,7 @@ Upper Bounds
 7.72e-01
 7.80e-01
 8.33e-01
-8.48e-01
+8.47e-01
 1.21e+00
 1.74e+00
 6.61e-01
@@ -3934,7 +3934,7 @@ Upper Bounds
 7.56e-01
 7.70e-01
 7.83e-01
-7.97e-01
+7.96e-01
 1.13e+00
 1.26e+00
 4.66e-01
@@ -3943,7 +3943,7 @@ Upper Bounds
 7.98e-01
 7.75e-01
 7.87e-01
-7.92e-01
+7.91e-01
 7.70e-01
 7.35e-01
 7.31e-01
@@ -3959,7 +3959,7 @@ Upper Bounds
 8.01e-01
 7.99e-01
 7.90e-01
-7.89e-01
+7.88e-01
 7.83e-01
 7.33e-01
 7.48e-01
@@ -3975,7 +3975,7 @@ Upper Bounds
 8.32e-01
 7.85e-01
 7.86e-01
-7.51e-01
+7.50e-01
 7.01e-01
 7.38e-01
 7.30e-01
@@ -4037,13 +4037,13 @@ Upper Bounds
 1.17e+00
 1.10e+00
 9.39e-01
-8.88e-01
+8.87e-01
 6.70e-01
 6.23e-01
 5.35e-01
 2.34e-01
 6.47e-02
-6.45e-01
+6.44e-01
 4.31e-01
 7.11e-01
 6.80e-01
@@ -4063,7 +4063,7 @@ Upper Bounds
 8.31e-01
 8.52e-01
 8.43e-01
-8.06e-01
+8.05e-01
 7.88e-01
 7.57e-01
 7.58e-01
@@ -4083,7 +4083,7 @@ Upper Bounds
 7.76e-01
 7.95e-01
 8.30e-01
-7.96e-01
+7.95e-01
 8.37e-01
 1.18e+00
 1.62e+00
@@ -4105,7 +4105,7 @@ Upper Bounds
 5.36e-01
 8.08e-01
 8.15e-01
-8.00e-01
+7.99e-01
 8.03e-01
 7.68e-01
 7.86e-01
@@ -4122,7 +4122,7 @@ Upper Bounds
 7.72e-01
 8.04e-01
 8.28e-01
-7.75e-01
+7.74e-01
 7.64e-01
 7.80e-01
 7.54e-01
@@ -4151,12 +4151,12 @@ Upper Bounds
 8.13e-01
 7.95e-01
 8.40e-01
-7.80e-01
+7.97e-01
 7.59e-01
-7.73e-01
+7.72e-01
 7.80e-01
 7.46e-01
-7.45e-01
+7.44e-01
 7.55e-01
 7.27e-01
 7.44e-01
@@ -4226,8 +4226,8 @@ Upper Bounds
 8.65e-01
 8.27e-01
 8.48e-01
-3.91e-01
-8.66e-01
+8.31e-01
+8.65e-01
 8.92e-01
 8.23e-01
 7.50e-01
@@ -4265,7 +4265,7 @@ Upper Bounds
 9.09e-01
 6.43e-01
 6.18e-01
-5.19e-01
+5.18e-01
 2.26e-01
 8.71e-02
 5.78e-01
@@ -4367,7 +4367,7 @@ Upper Bounds
 7.08e-01
 7.78e-01
 7.45e-01
-7.62e-01
+7.61e-01
 7.55e-01
 7.92e-01
 1.16e+00
@@ -4376,7 +4376,7 @@ Upper Bounds
 7.40e-01
 7.79e-01
 7.94e-01
-7.60e-01
+7.59e-01
 7.99e-01
 7.16e-01
 7.14e-01
@@ -4420,7 +4420,7 @@ Upper Bounds
 2.76e-01
 8.13e-01
 8.09e-01
-7.87e-01
+7.86e-01
 7.66e-01
 7.26e-01
 7.62e-01
@@ -4531,7 +4531,7 @@ Upper Bounds
 7.86e-01
 7.98e-01
 7.43e-01
-7.69e-01
+7.68e-01
 7.51e-01
 7.70e-01
 8.08e-01
@@ -4583,7 +4583,7 @@ Upper Bounds
 1.19e+00
 1.33e+00
 5.12e-01
-7.76e-01
+7.75e-01
 7.68e-01
 7.84e-01
 7.62e-01
@@ -4631,14 +4631,14 @@ Upper Bounds
 7.78e-01
 7.65e-01
 7.86e-01
-7.10e-01
+7.09e-01
 7.60e-01
 7.43e-01
 7.27e-01
 6.62e-01
 6.51e-01
 6.35e-01
-7.04e-01
+7.03e-01
 7.07e-01
 1.06e+00
 7.73e-01
@@ -4648,7 +4648,7 @@ Upper Bounds
 7.63e-01
 7.80e-01
 7.34e-01
-7.23e-01
+7.24e-01
 7.02e-01
 6.87e-01
 7.13e-01
@@ -4724,7 +4724,7 @@ Upper Bounds
 4.81e-01
 4.96e-01
 3.78e-01
-5.26e-01
+5.25e-01
 3.10e-01
 2.83e-01
 1.99e-01
@@ -4735,14 +4735,14 @@ Upper Bounds
 4.46e-02
 8.04e-01
 7.95e-01
-7.83e-01
+7.82e-01
 7.95e-01
 7.54e-01
 7.47e-01
 7.72e-01
 7.56e-01
 7.67e-01
-7.43e-01
+7.42e-01
 7.58e-01
 7.40e-01
 1.14e+00
@@ -4779,7 +4779,7 @@ Upper Bounds
 1.24e+00
 5.06e-01
 7.87e-01
-7.41e-01
+7.40e-01
 7.55e-01
 7.36e-01
 7.30e-01
@@ -4821,7 +4821,7 @@ Upper Bounds
 7.08e-01
 7.57e-01
 1.07e+00
-7.06e-01
+7.05e-01
 2.16e-01
 7.82e-01
 7.85e-01
@@ -4854,12 +4854,12 @@ Upper Bounds
 8.40e-01
 2.51e-01
 7.67e-01
-3.55e-01
+7.41e-01
 7.36e-01
 7.41e-01
 7.16e-01
-7.29e-01
-3.42e-01
+7.28e-01
+7.11e-01
 6.33e-01
 6.18e-01
 6.57e-01
@@ -4874,7 +4874,7 @@ Upper Bounds
 7.36e-01
 7.09e-01
 6.77e-01
-6.93e-01
+6.94e-01
 6.91e-01
 6.86e-01
 6.77e-01
@@ -4899,8 +4899,8 @@ Upper Bounds
 3.75e-01
 1.32e-01
 7.90e-01
-7.78e-01
-7.50e-01
+7.77e-01
+7.49e-01
 7.25e-01
 7.49e-01
 7.50e-01
@@ -4964,7 +4964,7 @@ Upper Bounds
 7.66e-01
 7.81e-01
 7.83e-01
-7.80e-01
+7.79e-01
 7.68e-01
 7.20e-01
 7.09e-01
@@ -5045,7 +5045,7 @@ Upper Bounds
 6.71e-01
 6.81e-01
 7.49e-01
-9.78e-01
+9.77e-01
 6.44e-01
 2.24e-01
 7.44e-01
@@ -5148,7 +5148,7 @@ Upper Bounds
 8.35e-01
 8.39e-01
 9.59e-01
-9.14e-01
+9.15e-01
 7.74e-01
 5.71e-01
 1.72e-01
@@ -5191,7 +5191,7 @@ Upper Bounds
 7.60e-01
 7.46e-01
 7.71e-01
-7.12e-01
+7.11e-01
 6.80e-01
 6.82e-01
 7.51e-01
@@ -5229,7 +5229,7 @@ Upper Bounds
 8.27e-01
 2.75e-01
 7.59e-01
-7.20e-01
+7.19e-01
 7.47e-01
 7.32e-01
 7.40e-01
@@ -5256,7 +5256,7 @@ Upper Bounds
 7.13e-01
 7.47e-01
 9.68e-01
-6.86e-01
+6.85e-01
 2.05e-01
 7.59e-01
 7.40e-01
@@ -5266,22 +5266,22 @@ Upper Bounds
 6.98e-01
 7.04e-01
 6.61e-01
-6.80e-01
-6.80e-01
+6.79e-01
+6.79e-01
 6.86e-01
 7.42e-01
 1.01e+00
 7.65e-01
 2.63e-01
 7.27e-01
-7.07e-01
+7.22e-01
 7.21e-01
 6.82e-01
 6.82e-01
 6.79e-01
 6.66e-01
 6.58e-01
-6.32e-01
+6.31e-01
 6.61e-01
 6.87e-01
 6.88e-01
@@ -5304,13 +5304,13 @@ Upper Bounds
 3.86e-01
 1.50e-01
 6.91e-01
-5.58e-01
+6.77e-01
 6.91e-01
 7.07e-01
 7.18e-01
 7.31e-01
 6.70e-01
-5.57e-01
+6.39e-01
 6.18e-01
 6.02e-01
 6.11e-01
@@ -5349,7 +5349,7 @@ Upper Bounds
 4.84e-01
 1.41e-01
 7.40e-01
-6.74e-01
+6.73e-01
 6.74e-01
 7.15e-01
 7.22e-01
@@ -5415,16 +5415,16 @@ Upper Bounds
 7.76e-01
 7.30e-01
 7.18e-01
-7.38e-01
+7.37e-01
 7.09e-01
-7.21e-01
+7.20e-01
 7.00e-01
 7.72e-01
 9.68e-01
 6.90e-01
 2.52e-01
 7.57e-01
-7.65e-01
+7.64e-01
 7.45e-01
 7.47e-01
 7.46e-01
@@ -5433,9 +5433,9 @@ Upper Bounds
 7.52e-01
 7.26e-01
 6.82e-01
-7.10e-01
+7.09e-01
 7.86e-01
-1.05e+00
+1.04e+00
 7.77e-01
 2.28e-01
 7.74e-01
@@ -5443,7 +5443,7 @@ Upper Bounds
 7.17e-01
 7.21e-01
 7.29e-01
-7.68e-01
+7.67e-01
 7.52e-01
 7.57e-01
 7.68e-01
@@ -5504,7 +5504,7 @@ Upper Bounds
 7.08e-01
 7.09e-01
 7.14e-01
-6.80e-01
+6.79e-01
 6.85e-01
 6.58e-01
 6.83e-01
@@ -5519,7 +5519,7 @@ Upper Bounds
 7.21e-01
 7.00e-01
 6.83e-01
-6.44e-01
+6.43e-01
 6.62e-01
 6.42e-01
 6.10e-01
@@ -5566,7 +5566,7 @@ Upper Bounds
 6.70e-01
 6.87e-01
 6.53e-01
-6.04e-01
+6.03e-01
 5.84e-01
 5.54e-01
 5.65e-01
@@ -5574,7 +5574,7 @@ Upper Bounds
 4.40e-01
 1.48e-01
 7.67e-01
-6.96e-01
+6.97e-01
 7.26e-01
 7.26e-01
 6.91e-01
@@ -5590,7 +5590,7 @@ Upper Bounds
 9.16e-02
 1.20e+00
 9.57e-01
-8.97e-01
+8.98e-01
 1.03e+00
 9.83e-01
 1.01e+00
@@ -5655,7 +5655,7 @@ Upper Bounds
 7.63e-01
 7.61e-01
 7.53e-01
-7.70e-01
+7.69e-01
 7.59e-01
 7.54e-01
 7.39e-01
@@ -5667,18 +5667,18 @@ Upper Bounds
 7.39e-01
 7.32e-01
 7.64e-01
-7.36e-01
+7.35e-01
 7.69e-01
 7.88e-01
 7.27e-01
 7.35e-01
 7.32e-01
 7.27e-01
-7.50e-01
+7.49e-01
 9.97e-01
 7.08e-01
 2.42e-01
-7.31e-01
+7.30e-01
 7.41e-01
 7.80e-01
 7.20e-01
@@ -5719,7 +5719,7 @@ Upper Bounds
 6.58e-01
 7.03e-01
 7.03e-01
-6.98e-01
+6.97e-01
 1.02e+00
 5.77e-01
 1.55e-01
@@ -5766,12 +5766,12 @@ Upper Bounds
 6.04e-01
 6.27e-01
 8.72e-01
-4.59e-01
+4.58e-01
 1.30e-01
 6.94e-01
 6.76e-01
 6.98e-01
-7.17e-01
+7.16e-01
 7.24e-01
 6.61e-01
 6.58e-01
@@ -5815,7 +5815,7 @@ Upper Bounds
 7.13e-02
 9.78e-01
 8.94e-01
-9.01e-01
+9.02e-01
 9.75e-01
 9.93e-01
 9.72e-01
@@ -5869,7 +5869,7 @@ Upper Bounds
 7.65e-01
 7.57e-01
 7.69e-01
-7.23e-01
+7.22e-01
 7.14e-01
 1.75e-01
 6.92e-02
@@ -5901,7 +5901,7 @@ Upper Bounds
 7.12e-01
 8.00e-01
 1.03e+00
-5.17e-01
+5.16e-01
 1.38e-01
 7.80e-01
 7.93e-01
@@ -5909,7 +5909,7 @@ Upper Bounds
 7.70e-01
 7.94e-01
 8.27e-01
-2.53e-01
+8.15e-01
 7.14e-01
 7.62e-01
 7.24e-01
@@ -5924,7 +5924,7 @@ Upper Bounds
 7.75e-01
 7.94e-01
 7.94e-01
-7.67e-01
+7.68e-01
 7.35e-01
 7.64e-01
 7.55e-01
@@ -5940,7 +5940,7 @@ Upper Bounds
 7.62e-01
 7.55e-01
 7.49e-01
-7.14e-01
+7.15e-01
 7.33e-01
 7.29e-01
 6.88e-01
@@ -5953,10 +5953,10 @@ Upper Bounds
 7.63e-01
 7.78e-01
 7.67e-01
-7.39e-01
+7.38e-01
 7.39e-01
 7.04e-01
-6.89e-01
+6.90e-01
 7.02e-01
 7.00e-01
 6.50e-01
@@ -5967,7 +5967,7 @@ Upper Bounds
 7.31e-01
 7.02e-01
 7.48e-01
-7.26e-01
+7.25e-01
 7.23e-01
 7.48e-01
 7.26e-01
@@ -6005,7 +6005,7 @@ Upper Bounds
 5.90e-01
 6.17e-01
 5.70e-01
-8.00e-01
+7.99e-01
 3.80e-01
 1.34e-01
 6.68e-01
@@ -6024,7 +6024,7 @@ Upper Bounds
 2.51e-01
 7.41e-02
 6.65e-01
-2.67e-01
+6.54e-01
 6.72e-01
 6.79e-01
 6.77e-01
@@ -6036,11 +6036,11 @@ Upper Bounds
 5.40e-01
 5.07e-01
 5.77e-01
-2.23e-01
+2.24e-01
 6.42e-02
 8.66e-01
 8.00e-01
-8.00e-01
+8.01e-01
 8.48e-01
 8.27e-01
 8.32e-01
@@ -6048,13 +6048,13 @@ Upper Bounds
 9.02e-01
 9.05e-01
 7.29e-01
-6.76e-01
+6.75e-01
 5.88e-01
 3.48e-01
 1.10e-01
 3.71e-02
 6.49e-01
-3.52e-01
+3.51e-01
 4.24e-01
 5.24e-01
 4.05e-01
@@ -6103,7 +6103,7 @@ Upper Bounds
 1.23e+00
 1.10e+00
 1.10e+00
-1.15e+00
+1.14e+00
 1.11e+00
 1.03e+00
 9.91e-01
@@ -6147,7 +6147,7 @@ Upper Bounds
 1.03e+00
 1.06e+00
 1.10e+00
-1.04e+00
+1.05e+00
 1.13e+00
 1.27e+00
 1.09e+00
@@ -6184,7 +6184,7 @@ Upper Bounds
 8.41e-01
 9.51e-01
 9.08e-01
-7.46e-01
+7.45e-01
 7.77e-01
 3.05e-01
 9.78e-02
@@ -6218,7 +6218,7 @@ Upper Bounds
 8.06e-01
 2.24e-01
 7.49e-02
-9.70e-01
+9.69e-01
 1.03e+00
 1.10e+00
 1.01e+00
@@ -6229,7 +6229,7 @@ Upper Bounds
 8.30e-01
 8.02e-01
 8.09e-01
-8.10e-01
+8.11e-01
 7.80e-01
 2.46e-01
 7.63e-02
@@ -6250,7 +6250,7 @@ Upper Bounds
 7.72e-02
 7.36e-01
 7.62e-01
-8.87e-01
+8.86e-01
 8.71e-01
 9.21e-01
 9.57e-01
@@ -6287,7 +6287,7 @@ Upper Bounds
 2.20e-01
 2.69e-01
 4.39e-01
-2.89e-01
+2.88e-01
 1.35e-01
 1.30e-01
 7.47e-02
@@ -6335,7 +6335,7 @@ Upper Bounds
 7.01e-01
 6.46e-01
 5.40e-01
-4.50e-01
+4.49e-01
 2.04e-01
 7.38e-02
 1.18e+00
@@ -6345,7 +6345,7 @@ Upper Bounds
 9.38e-01
 1.19e+00
 9.74e-01
-1.02e+00
+1.01e+00
 9.23e-01
 8.23e-01
 8.89e-01
@@ -6362,7 +6362,7 @@ Upper Bounds
 1.36e+00
 1.18e+00
 1.09e+00
-8.67e-01
+8.66e-01
 6.32e-01
 4.57e-01
 3.13e-01
@@ -6402,7 +6402,7 @@ Upper Bounds
 9.01e-01
 1.04e+00
 1.05e+00
-9.13e-01
+9.12e-01
 1.00e+00
 9.12e-01
 7.83e-01
@@ -6515,7 +6515,7 @@ Upper Bounds
 1.43e-01
 8.60e-02
 5.91e-02
-4.19e-02
+4.18e-02
 2.09e-02
 1.01e-02
 6.92e-02
@@ -6639,7 +6639,7 @@ Upper Bounds
 3.97e-02
 3.67e-02
 1.54e-01
-2.67e-01
+2.66e-01
 2.58e-01
 2.66e-01
 2.93e-01
diff --git a/tests/regression_tests/weightwindows_fw_cadis_mesh/linear/results_true.dat b/tests/regression_tests/weightwindows_fw_cadis_mesh/linear/results_true.dat
index 3afdc56ca..c1066ae82 100644
--- a/tests/regression_tests/weightwindows_fw_cadis_mesh/linear/results_true.dat
+++ b/tests/regression_tests/weightwindows_fw_cadis_mesh/linear/results_true.dat
@@ -60,7 +60,7 @@ Lower Bounds
 1.68e-01
 1.70e-01
 1.75e-01
-1.73e-01
+1.72e-01
 1.73e-01
 1.65e-01
 1.84e-01
@@ -281,7 +281,7 @@ Lower Bounds
 1.86e-01
 1.81e-01
 1.83e-01
-1.73e-01
+1.74e-01
 1.67e-01
 1.72e-01
 1.75e-01
@@ -722,7 +722,7 @@ Lower Bounds
 1.63e-01
 1.58e-01
 1.70e-01
-1.70e-01
+1.69e-01
 1.84e-01
 2.44e-01
 2.71e-01
@@ -775,7 +775,7 @@ Lower Bounds
 1.69e-01
 1.67e-01
 1.76e-01
-1.59e-01
+1.64e-01
 1.59e-01
 1.58e-01
 1.64e-01
@@ -835,7 +835,7 @@ Lower Bounds
 1.76e-01
 1.78e-01
 1.68e-01
-1.78e-01
+1.79e-01
 1.73e-01
 1.69e-01
 1.62e-01
@@ -850,11 +850,11 @@ Lower Bounds
 1.88e-01
 1.77e-01
 1.78e-01
-8.59e-02
+1.76e-01
 1.82e-01
 1.90e-01
 1.76e-01
-1.63e-01
+1.62e-01
 1.69e-01
 1.69e-01
 1.69e-01
@@ -1201,7 +1201,7 @@ Lower Bounds
 1.57e-01
 1.58e-01
 1.58e-01
-1.57e-01
+1.56e-01
 1.58e-01
 1.66e-01
 2.50e-01
@@ -1223,7 +1223,7 @@ Lower Bounds
 2.18e-01
 9.03e-02
 1.68e-01
-1.70e-01
+1.69e-01
 1.64e-01
 1.56e-01
 1.58e-01
@@ -1382,7 +1382,7 @@ Lower Bounds
 1.52e-01
 1.59e-01
 1.52e-01
-1.49e-01
+1.48e-01
 1.55e-01
 2.25e-01
 2.01e-01
@@ -1478,12 +1478,12 @@ Lower Bounds
 1.63e-01
 4.89e-02
 1.64e-01
-6.61e-02
+1.55e-01
 1.57e-01
 1.53e-01
 1.48e-01
 1.53e-01
-7.58e-02
+1.52e-01
 1.40e-01
 1.38e-01
 1.40e-01
@@ -1539,7 +1539,7 @@ Lower Bounds
 2.68e-02
 2.40e-01
 2.25e-01
-2.21e-01
+2.22e-01
 2.27e-01
 2.31e-01
 2.20e-01
@@ -1572,7 +1572,7 @@ Lower Bounds
 8.97e-02
 4.80e-02
 4.87e-02
-6.44e-02
+6.43e-02
 6.38e-02
 4.70e-02
 4.40e-02
@@ -1581,7 +1581,7 @@ Lower Bounds
 4.03e-02
 1.52e-02
 8.66e-03
-6.15e-03
+6.14e-03
 1.56e-01
 1.57e-01
 1.54e-01
@@ -1637,7 +1637,7 @@ Lower Bounds
 1.53e-01
 1.47e-01
 1.42e-01
-1.57e-01
+1.56e-01
 1.66e-01
 2.10e-01
 1.46e-01
@@ -1792,7 +1792,7 @@ Lower Bounds
 4.29e-02
 1.08e-02
 4.27e-03
-7.46e-02
+7.45e-02
 7.65e-02
 5.07e-02
 4.76e-02
@@ -1898,7 +1898,7 @@ Lower Bounds
 1.50e-01
 5.21e-02
 1.53e-01
-1.49e-01
+1.53e-01
 1.52e-01
 1.45e-01
 1.45e-01
@@ -1928,13 +1928,13 @@ Lower Bounds
 7.19e-02
 2.90e-02
 1.48e-01
-1.19e-01
+1.44e-01
 1.48e-01
 1.48e-01
 1.49e-01
 1.54e-01
 1.45e-01
-1.21e-01
+1.38e-01
 1.29e-01
 1.30e-01
 1.31e-01
@@ -1970,7 +1970,7 @@ Lower Bounds
 1.18e-01
 1.31e-01
 1.83e-01
-9.56e-02
+9.55e-02
 2.75e-02
 1.63e-01
 1.47e-01
@@ -2058,7 +2058,7 @@ Lower Bounds
 1.58e-01
 1.43e-01
 1.49e-01
-1.60e-01
+1.59e-01
 2.21e-01
 1.56e-01
 4.57e-02
@@ -2208,7 +2208,7 @@ Lower Bounds
 1.36e-01
 1.33e-01
 1.26e-01
-1.10e-01
+1.11e-01
 1.31e-01
 5.72e-02
 1.80e-02
@@ -2245,7 +2245,7 @@ Lower Bounds
 7.21e-02
 6.08e-02
 6.40e-02
-5.54e-02
+5.53e-02
 6.28e-02
 5.59e-02
 4.39e-02
@@ -2405,7 +2405,7 @@ Lower Bounds
 1.23e-01
 1.24e-01
 1.55e-01
-8.14e-02
+8.15e-02
 2.87e-02
 1.44e-01
 1.47e-01
@@ -2416,7 +2416,7 @@ Lower Bounds
 1.42e-01
 1.37e-01
 1.27e-01
-1.28e-01
+1.29e-01
 1.17e-01
 1.21e-01
 1.63e-01
@@ -2479,12 +2479,12 @@ Lower Bounds
 2.61e-02
 2.32e-02
 1.25e-02
-9.63e-03
+9.62e-03
 6.12e-03
 3.33e-03
 1.57e-01
 1.68e-01
-1.77e-01
+1.76e-01
 1.71e-01
 1.70e-01
 1.76e-01
@@ -2533,7 +2533,7 @@ Lower Bounds
 1.65e-01
 1.69e-01
 1.74e-01
-6.32e-02
+1.78e-01
 1.61e-01
 1.64e-01
 1.57e-01
@@ -2547,8 +2547,8 @@ Lower Bounds
 1.61e-01
 1.66e-01
 1.68e-01
-1.70e-01
-1.63e-01
+1.71e-01
+1.64e-01
 1.61e-01
 1.62e-01
 1.60e-01
@@ -2647,8 +2647,8 @@ Lower Bounds
 1.45e-01
 4.24e-02
 1.27e-02
-1.42e-01
-6.20e-02
+1.43e-01
+1.40e-01
 1.44e-01
 1.45e-01
 1.42e-01
@@ -2660,7 +2660,7 @@ Lower Bounds
 1.15e-01
 1.07e-01
 1.24e-01
-3.83e-02
+3.91e-02
 1.19e-02
 1.85e-01
 1.70e-01
@@ -2678,7 +2678,7 @@ Lower Bounds
 2.05e-02
 7.17e-03
 1.27e-01
-6.47e-02
+6.46e-02
 8.27e-02
 1.04e-01
 7.86e-02
@@ -3043,7 +3043,7 @@ Lower Bounds
 1.57e-01
 1.80e-01
 1.80e-01
-1.24e-01
+1.23e-01
 1.22e-01
 8.18e-02
 7.30e-02
@@ -3055,7 +3055,7 @@ Lower Bounds
 1.13e-01
 1.37e-01
 1.61e-01
-2.21e-01
+2.20e-01
 1.71e-01
 1.51e-01
 1.16e-01
@@ -3187,14 +3187,14 @@ Lower Bounds
 2.64e-02
 1.76e-02
 8.34e-03
-8.72e-02
+8.71e-02
 6.82e-02
 1.03e-01
 9.93e-02
 4.68e-02
 8.00e-02
 6.54e-02
-5.74e-02
+5.73e-02
 5.88e-02
 4.17e-02
 6.05e-02
@@ -3252,7 +3252,7 @@ Lower Bounds
 7.34e-02
 7.91e-02
 4.60e-02
-5.73e-02
+5.72e-02
 6.01e-02
 5.26e-02
 5.01e-02
@@ -3399,7 +3399,7 @@ Upper Bounds
 2.14e+00
 7.89e-01
 8.70e-01
-9.12e-01
+9.11e-01
 9.06e-01
 8.15e-01
 8.92e-01
@@ -3436,7 +3436,7 @@ Upper Bounds
 8.38e-01
 8.52e-01
 8.74e-01
-8.63e-01
+8.62e-01
 8.63e-01
 8.27e-01
 9.20e-01
@@ -3509,8 +3509,8 @@ Upper Bounds
 9.09e-01
 8.56e-01
 8.36e-01
-8.27e-01
-8.09e-01
+8.26e-01
+8.10e-01
 7.69e-01
 7.73e-01
 7.71e-01
@@ -3642,14 +3642,14 @@ Upper Bounds
 8.80e-01
 8.68e-01
 8.83e-01
-8.81e-01
+8.82e-01
 8.83e-01
 8.68e-01
 8.89e-01
 8.61e-01
 9.00e-01
 9.04e-01
-9.07e-01
+9.06e-01
 1.33e+00
 1.66e+00
 5.75e-01
@@ -3657,7 +3657,7 @@ Upper Bounds
 9.28e-01
 9.04e-01
 9.15e-01
-8.67e-01
+8.68e-01
 8.37e-01
 8.58e-01
 8.74e-01
@@ -3673,7 +3673,7 @@ Upper Bounds
 8.97e-01
 8.66e-01
 8.29e-01
-8.49e-01
+8.48e-01
 8.85e-01
 8.47e-01
 8.39e-01
@@ -3734,7 +3734,7 @@ Upper Bounds
 8.72e-01
 8.86e-01
 8.25e-01
-8.06e-01
+8.05e-01
 7.70e-01
 7.66e-01
 7.77e-01
@@ -4084,7 +4084,7 @@ Upper Bounds
 8.23e-01
 8.70e-01
 8.45e-01
-8.81e-01
+8.80e-01
 1.24e+00
 1.66e+00
 6.51e-01
@@ -4098,7 +4098,7 @@ Upper Bounds
 8.14e-01
 7.91e-01
 8.49e-01
-8.48e-01
+8.47e-01
 9.21e-01
 1.22e+00
 1.35e+00
@@ -4124,7 +4124,7 @@ Upper Bounds
 8.56e-01
 8.12e-01
 7.90e-01
-8.10e-01
+8.09e-01
 7.88e-01
 8.08e-01
 8.07e-01
@@ -4141,7 +4141,7 @@ Upper Bounds
 7.98e-01
 8.23e-01
 8.40e-01
-8.12e-01
+8.11e-01
 8.01e-01
 8.15e-01
 8.78e-01
@@ -4149,14 +4149,14 @@ Upper Bounds
 1.49e+00
 5.48e-01
 8.43e-01
-8.37e-01
+8.36e-01
 8.81e-01
-7.97e-01
+8.18e-01
 7.95e-01
 7.90e-01
 8.20e-01
 7.94e-01
-7.75e-01
+7.74e-01
 7.96e-01
 7.56e-01
 8.00e-01
@@ -4176,10 +4176,10 @@ Upper Bounds
 7.46e-01
 7.89e-01
 1.17e+00
-9.25e-01
+9.24e-01
 3.31e-01
 8.47e-01
-8.26e-01
+8.25e-01
 8.14e-01
 8.34e-01
 8.09e-01
@@ -4211,7 +4211,7 @@ Upper Bounds
 8.80e-01
 8.88e-01
 8.39e-01
-8.92e-01
+8.93e-01
 8.67e-01
 8.43e-01
 8.12e-01
@@ -4226,11 +4226,11 @@ Upper Bounds
 9.42e-01
 8.84e-01
 8.89e-01
-4.30e-01
+8.81e-01
 9.12e-01
 9.52e-01
 8.80e-01
-8.13e-01
+8.12e-01
 8.44e-01
 8.47e-01
 8.47e-01
@@ -4284,7 +4284,7 @@ Upper Bounds
 1.28e-01
 6.06e-02
 8.53e-01
-8.42e-01
+8.41e-01
 8.16e-01
 8.39e-01
 8.62e-01
@@ -4293,7 +4293,7 @@ Upper Bounds
 7.57e-01
 7.84e-01
 8.17e-01
-7.86e-01
+7.85e-01
 8.91e-01
 1.29e+00
 1.58e+00
@@ -4384,7 +4384,7 @@ Upper Bounds
 7.51e-01
 7.69e-01
 7.83e-01
-7.95e-01
+7.94e-01
 1.09e+00
 1.03e+00
 3.79e-01
@@ -4439,7 +4439,7 @@ Upper Bounds
 8.29e-01
 8.34e-01
 8.10e-01
-8.16e-01
+8.15e-01
 8.13e-01
 7.91e-01
 7.58e-01
@@ -4500,7 +4500,7 @@ Upper Bounds
 5.38e-01
 4.35e-01
 5.87e-01
-2.74e-01
+2.73e-01
 3.52e-01
 2.53e-01
 1.54e-01
@@ -4577,7 +4577,7 @@ Upper Bounds
 7.84e-01
 7.91e-01
 7.91e-01
-7.83e-01
+7.82e-01
 7.90e-01
 8.30e-01
 1.25e+00
@@ -4590,7 +4590,7 @@ Upper Bounds
 7.98e-01
 7.82e-01
 7.55e-01
-7.52e-01
+7.51e-01
 8.14e-01
 8.19e-01
 7.83e-01
@@ -4599,7 +4599,7 @@ Upper Bounds
 1.09e+00
 4.51e-01
 8.40e-01
-8.48e-01
+8.47e-01
 8.18e-01
 7.81e-01
 7.89e-01
@@ -4623,7 +4623,7 @@ Upper Bounds
 7.25e-01
 7.18e-01
 7.55e-01
-7.87e-01
+7.86e-01
 8.22e-01
 1.16e+00
 5.88e-01
@@ -4658,7 +4658,7 @@ Upper Bounds
 1.05e+00
 6.00e-01
 1.91e-01
-8.27e-01
+8.26e-01
 7.94e-01
 8.07e-01
 8.05e-01
@@ -4758,7 +4758,7 @@ Upper Bounds
 7.61e-01
 7.94e-01
 7.58e-01
-7.43e-01
+7.42e-01
 7.76e-01
 1.12e+00
 1.01e+00
@@ -4784,12 +4784,12 @@ Upper Bounds
 7.60e-01
 7.73e-01
 8.04e-01
-7.87e-01
+7.86e-01
 7.68e-01
 7.69e-01
 7.72e-01
 7.79e-01
-8.20e-01
+8.19e-01
 1.12e+00
 7.80e-01
 3.07e-01
@@ -4817,7 +4817,7 @@ Upper Bounds
 7.52e-01
 7.32e-01
 7.17e-01
-7.61e-01
+7.60e-01
 7.74e-01
 8.04e-01
 1.13e+00
@@ -4854,12 +4854,12 @@ Upper Bounds
 8.15e-01
 2.44e-01
 8.21e-01
-3.30e-01
+7.75e-01
 7.87e-01
 7.66e-01
 7.39e-01
 7.65e-01
-3.79e-01
+7.62e-01
 6.99e-01
 6.88e-01
 6.98e-01
@@ -4962,10 +4962,10 @@ Upper Bounds
 7.87e-01
 7.72e-01
 8.00e-01
-8.25e-01
-8.31e-01
+8.24e-01
+8.30e-01
 8.27e-01
-7.89e-01
+7.88e-01
 7.35e-01
 7.02e-01
 6.79e-01
@@ -4991,13 +4991,13 @@ Upper Bounds
 7.91e-01
 7.84e-01
 8.12e-01
-8.14e-01
+8.13e-01
 7.93e-01
 7.86e-01
 7.80e-01
 7.88e-01
 7.62e-01
-7.26e-01
+7.25e-01
 7.48e-01
 8.00e-01
 1.08e+00
@@ -5013,7 +5013,7 @@ Upper Bounds
 7.67e-01
 7.34e-01
 7.08e-01
-7.83e-01
+7.82e-01
 8.28e-01
 1.05e+00
 7.28e-01
@@ -5043,7 +5043,7 @@ Upper Bounds
 7.26e-01
 7.36e-01
 7.31e-01
-7.41e-01
+7.40e-01
 7.92e-01
 1.07e+00
 6.18e-01
@@ -5089,7 +5089,7 @@ Upper Bounds
 6.75e-01
 6.66e-01
 7.38e-01
-7.32e-01
+7.31e-01
 9.88e-01
 5.41e-01
 1.68e-01
@@ -5219,7 +5219,7 @@ Upper Bounds
 7.96e-01
 8.02e-01
 7.57e-01
-7.80e-01
+7.79e-01
 7.99e-01
 7.43e-01
 7.26e-01
@@ -5251,7 +5251,7 @@ Upper Bounds
 7.54e-01
 7.53e-01
 7.66e-01
-7.41e-01
+7.40e-01
 7.01e-01
 7.50e-01
 8.07e-01
@@ -5274,9 +5274,9 @@ Upper Bounds
 7.50e-01
 2.61e-01
 7.64e-01
-7.45e-01
+7.65e-01
 7.60e-01
-7.26e-01
+7.25e-01
 7.24e-01
 7.17e-01
 6.99e-01
@@ -5294,7 +5294,7 @@ Upper Bounds
 7.14e-01
 7.38e-01
 7.21e-01
-6.81e-01
+6.80e-01
 6.69e-01
 6.84e-01
 6.84e-01
@@ -5304,13 +5304,13 @@ Upper Bounds
 3.59e-01
 1.45e-01
 7.38e-01
-5.93e-01
+7.18e-01
 7.38e-01
 7.39e-01
 7.46e-01
 7.70e-01
 7.25e-01
-6.07e-01
+6.90e-01
 6.46e-01
 6.49e-01
 6.56e-01
@@ -5318,7 +5318,7 @@ Upper Bounds
 9.65e-01
 3.98e-01
 1.02e-01
-7.63e-01
+7.64e-01
 7.31e-01
 7.32e-01
 7.05e-01
@@ -5369,7 +5369,7 @@ Upper Bounds
 1.11e+00
 1.11e+00
 1.08e+00
-9.96e-01
+9.95e-01
 1.02e+00
 9.59e-01
 1.01e+00
@@ -5434,7 +5434,7 @@ Upper Bounds
 7.89e-01
 7.16e-01
 7.47e-01
-7.98e-01
+7.97e-01
 1.11e+00
 7.82e-01
 2.29e-01
@@ -5447,7 +5447,7 @@ Upper Bounds
 7.75e-01
 7.99e-01
 8.00e-01
-7.27e-01
+7.26e-01
 7.00e-01
 7.95e-01
 1.12e+00
@@ -5584,7 +5584,7 @@ Upper Bounds
 6.82e-01
 6.66e-01
 6.30e-01
-5.52e-01
+5.53e-01
 6.56e-01
 2.86e-01
 9.02e-02
@@ -5603,7 +5603,7 @@ Upper Bounds
 5.90e-01
 1.70e-01
 6.04e-02
-9.35e-01
+9.34e-01
 7.67e-01
 7.48e-01
 8.36e-01
@@ -5688,7 +5688,7 @@ Upper Bounds
 7.74e-01
 7.69e-01
 7.48e-01
-7.27e-01
+7.26e-01
 7.70e-01
 1.04e+00
 5.38e-01
@@ -5698,7 +5698,7 @@ Upper Bounds
 7.98e-01
 7.72e-01
 8.10e-01
-7.95e-01
+7.96e-01
 7.80e-01
 7.69e-01
 7.86e-01
@@ -5776,7 +5776,7 @@ Upper Bounds
 7.07e-01
 6.87e-01
 6.74e-01
-6.34e-01
+6.35e-01
 6.34e-01
 6.14e-01
 6.22e-01
@@ -5792,10 +5792,10 @@ Upper Bounds
 7.08e-01
 6.86e-01
 6.37e-01
-6.42e-01
+6.43e-01
 5.84e-01
 6.05e-01
-8.13e-01
+8.14e-01
 2.50e-01
 7.65e-02
 7.35e-01
@@ -5805,7 +5805,7 @@ Upper Bounds
 7.24e-01
 7.52e-01
 7.60e-01
-7.36e-01
+7.35e-01
 6.72e-01
 6.44e-01
 6.12e-01
@@ -5860,7 +5860,7 @@ Upper Bounds
 1.67e-02
 7.86e-01
 8.39e-01
-8.83e-01
+8.82e-01
 8.55e-01
 8.50e-01
 8.79e-01
@@ -5901,7 +5901,7 @@ Upper Bounds
 7.49e-01
 8.31e-01
 1.07e+00
-4.89e-01
+4.88e-01
 1.30e-01
 8.26e-01
 8.49e-01
@@ -5909,7 +5909,7 @@ Upper Bounds
 8.27e-01
 8.44e-01
 8.70e-01
-3.16e-01
+8.88e-01
 8.04e-01
 8.19e-01
 7.85e-01
@@ -5923,8 +5923,8 @@ Upper Bounds
 8.03e-01
 8.28e-01
 8.39e-01
-8.52e-01
-8.17e-01
+8.53e-01
+8.18e-01
 8.07e-01
 8.12e-01
 8.02e-01
@@ -6023,8 +6023,8 @@ Upper Bounds
 7.24e-01
 2.12e-01
 6.37e-02
-7.12e-01
-3.10e-01
+7.13e-01
+6.99e-01
 7.21e-01
 7.24e-01
 7.11e-01
@@ -6036,7 +6036,7 @@ Upper Bounds
 5.74e-01
 5.37e-01
 6.18e-01
-1.92e-01
+1.95e-01
 5.93e-02
 9.23e-01
 8.49e-01
@@ -6053,8 +6053,8 @@ Upper Bounds
 3.58e-01
 1.02e-01
 3.58e-02
-6.34e-01
-3.24e-01
+6.33e-01
+3.23e-01
 4.14e-01
 5.18e-01
 3.93e-01
@@ -6067,7 +6067,7 @@ Upper Bounds
 2.08e-01
 1.27e-01
 3.00e-02
-9.84e-03
+9.83e-03
 2.53e-01
 1.24e-01
 1.72e-01
@@ -6211,7 +6211,7 @@ Upper Bounds
 1.03e+00
 1.15e+00
 1.11e+00
-9.64e-01
+9.63e-01
 1.01e+00
 9.05e-01
 8.67e-01
@@ -6229,8 +6229,8 @@ Upper Bounds
 8.93e-01
 8.70e-01
 8.58e-01
-8.56e-01
-8.00e-01
+8.57e-01
+8.01e-01
 2.31e-01
 7.13e-02
 9.12e-01
@@ -6249,7 +6249,7 @@ Upper Bounds
 2.01e-01
 7.22e-02
 7.80e-01
-8.00e-01
+7.99e-01
 9.64e-01
 9.33e-01
 9.70e-01
@@ -6277,7 +6277,7 @@ Upper Bounds
 5.08e-01
 3.32e-01
 9.24e-02
-4.15e-02
+4.14e-02
 3.42e-01
 2.04e-01
 2.56e-01
@@ -6414,12 +6414,12 @@ Upper Bounds
 1.17e-01
 7.24e-02
 5.31e-01
-7.17e-01
+7.16e-01
 8.03e-01
 7.87e-01
 9.01e-01
 9.00e-01
-6.18e-01
+6.17e-01
 6.08e-01
 4.09e-01
 3.65e-01
@@ -6545,7 +6545,7 @@ Upper Bounds
 2.87e-01
 1.88e-01
 1.85e-01
-1.80e-01
+1.79e-01
 1.07e-01
 3.77e-02
 5.65e-01
@@ -6578,13 +6578,13 @@ Upper Bounds
 1.41e-01
 5.88e-02
 6.26e-02
-4.47e-01
+4.46e-01
 3.47e-01
 5.27e-01
 6.11e-01
 3.91e-01
 4.22e-01
-4.77e-01
+4.76e-01
 4.54e-01
 4.31e-01
 3.19e-01
@@ -6727,14 +6727,14 @@ Upper Bounds
 5.73e-02
 5.81e-02
 1.92e-02
-6.10e-03
+6.09e-03
 2.72e-02
 4.77e-02
 4.74e-02
 3.34e-02
 5.41e-02
 7.93e-02
-6.70e-02
+6.69e-02
 7.67e-02
 9.31e-02
 5.17e-02

From f796fa04e06a074163f9071436724a06fd691931 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Tue, 10 Jun 2025 09:01:28 -0600
Subject: [PATCH 2318/2654] Adding fix and tests for spherical mesh as spatial
 distribution (#3428)

Co-authored-by: Paul Wilson <paul.wilson@wisc.edu>
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/mesh.py                            | 126 +++++++++++++++++-----
 src/mesh.cpp                              |   3 +-
 tests/unit_tests/test_mesh_from_domain.py |  32 +++++-
 tests/unit_tests/test_source_mesh.py      |  45 ++++++++
 4 files changed, 176 insertions(+), 30 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 27187b5dd..b046769fd 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -5,6 +5,7 @@ from collections.abc import Iterable, Sequence, Mapping
 from functools import wraps
 from math import pi, sqrt, atan2
 from numbers import Integral, Real
+from typing import Protocol
 
 import h5py
 import lxml.etree as ET
@@ -842,6 +843,11 @@ class StructuredMesh(MeshBase):
             )
 
 
+class HasBoundingBox(Protocol):
+    """Object that has a ``bounding_box`` attribute."""
+    bounding_box: openmc.BoundingBox
+
+
 class RegularMesh(StructuredMesh):
     """A regular Cartesian mesh in one, two, or three dimensions
 
@@ -1088,17 +1094,16 @@ class RegularMesh(StructuredMesh):
     @classmethod
     def from_domain(
         cls,
-        domain: 'openmc.Cell' | 'openmc.Region' | 'openmc.Universe' | 'openmc.Geometry',
+        domain: HasBoundingBox,
         dimension: Sequence[int] = (10, 10, 10),
         mesh_id: int | None = None,
         name: str = ''
     ):
-        """Create mesh from an existing openmc cell, region, universe or
-        geometry by making use of the objects bounding box property.
+        """Create RegularMesh from a domain using its bounding box.
 
         Parameters
         ----------
-        domain : {openmc.Cell, openmc.Region, openmc.Universe, openmc.Geometry}
+        domain : HasBoundingBox
             The object passed in will be used as a template for this mesh. The
             bounding box of the property of the object passed will be used to
             set the lower_left and upper_right and of the mesh instance
@@ -1115,11 +1120,8 @@ class RegularMesh(StructuredMesh):
             RegularMesh instance
 
         """
-        cv.check_type(
-            "domain",
-            domain,
-            (openmc.Cell, openmc.Region, openmc.Universe, openmc.Geometry),
-        )
+        if not hasattr(domain, 'bounding_box'):
+            raise TypeError("Domain must have a bounding_box property")
 
         mesh = cls(mesh_id=mesh_id, name=name)
         mesh.lower_left = domain.bounding_box[0]
@@ -1787,17 +1789,18 @@ class CylindricalMesh(StructuredMesh):
     @classmethod
     def from_domain(
         cls,
-        domain: 'openmc.Cell' | 'openmc.Region' | 'openmc.Universe' | 'openmc.Geometry',
+        domain: HasBoundingBox,
         dimension: Sequence[int] = (10, 10, 10),
         mesh_id: int | None = None,
         phi_grid_bounds: Sequence[float] = (0.0, 2*pi),
-        name: str = ''
+        name: str = '',
+        enclose_domain: bool = False
     ):
-        """Creates a regular CylindricalMesh from an existing openmc domain.
+        """Create CylindricalMesh from a domain using its bounding box.
 
         Parameters
         ----------
-        domain : openmc.Cell or openmc.Region or openmc.Universe or openmc.Geometry
+        domain : HasBoundingBox
             The object passed in will be used as a template for this mesh. The
             bounding box of the property of the object passed will be used to
             set the r_grid, z_grid ranges.
@@ -1811,6 +1814,9 @@ class CylindricalMesh(StructuredMesh):
             is (0, 2π), i.e., the full phi range.
         name : str
             Name of the mesh
+        enclose_domain : bool
+            If True, the mesh will encompass the bounding box of the domain. If
+            False, the mesh will be inscribed within the domain's bounding box.
 
         Returns
         -------
@@ -1818,25 +1824,20 @@ class CylindricalMesh(StructuredMesh):
             CylindricalMesh instance
 
         """
-        cv.check_type(
-            "domain",
-            domain,
-            (openmc.Cell, openmc.Region, openmc.Universe, openmc.Geometry),
-        )
+        if not hasattr(domain, 'bounding_box'):
+            raise TypeError("Domain must have a bounding_box property")
 
         # loaded once to avoid recalculating bounding box
         cached_bb = domain.bounding_box
-        max_bounding_box_radius = max(
-            [
-                cached_bb[0][0],
-                cached_bb[0][1],
-                cached_bb[1][0],
-                cached_bb[1][1],
-            ]
-        )
+
+        if enclose_domain:
+            outer_radius = 0.5 * np.linalg.norm(cached_bb.width[:2])
+        else:
+            outer_radius = 0.5 * min(cached_bb.width[:2])
+
         r_grid = np.linspace(
             0,
-            max_bounding_box_radius,
+            outer_radius,
             num=dimension[0]+1
         )
         phi_grid = np.linspace(
@@ -2167,6 +2168,77 @@ class SphericalMesh(StructuredMesh):
 
         return mesh
 
+    @classmethod
+    def from_domain(
+        cls,
+        domain: HasBoundingBox,
+        dimension: Sequence[int] = (10, 10, 10),
+        mesh_id: int | None = None,
+        phi_grid_bounds: Sequence[float] = (0.0, 2*pi),
+        theta_grid_bounds: Sequence[float] = (0.0, pi),
+        name: str = '',
+        enclose_domain: bool = False
+    ):
+        """Create SphericalMesh from a domain using its bounding box.
+
+        Parameters
+        ----------
+        domain : HasBoundingBox
+            The object passed in will be used as a template for this mesh. The
+            bounding box of the property of the object passed will be used to
+            set the r_grid, phi_grid, and theta_grid ranges.
+        dimension : Iterable of int
+            The number of equally spaced mesh cells in each direction (r_grid,
+            phi_grid, theta_grid). Spacing is in angular space (radians) for
+            phi and theta, and in absolute space for r.
+        mesh_id : int
+            Unique identifier for the mesh
+        phi_grid_bounds : numpy.ndarray
+            Mesh bounds points along the phi-axis in radians. The default value
+            is (0, 2π), i.e., the full phi range.
+        theta_grid_bounds : numpy.ndarray
+            Mesh bounds points along the theta-axis in radians. The default value
+            is (0, π), i.e., the full theta range.
+        name : str
+            Name of the mesh
+        enclose_domain : bool
+            If True, the mesh will encompass the bounding box of the domain. If
+            False, the mesh will be inscribed within the domain's bounding box.
+
+        Returns
+        -------
+        openmc.SphericalMesh
+            SphericalMesh instance
+
+        """
+        if not hasattr(domain, 'bounding_box'):
+            raise TypeError("Domain must have a bounding_box property")
+
+        # loaded once to avoid recalculating bounding box
+        cached_bb = domain.bounding_box
+
+        if enclose_domain:
+            outer_radius = 0.5 * np.linalg.norm(cached_bb.width)
+        else:
+            outer_radius = 0.5 * min(cached_bb.width)
+
+        r_grid = np.linspace(0, outer_radius, num=dimension[0] + 1)
+        theta_grid = np.linspace(
+            theta_grid_bounds[0],
+            theta_grid_bounds[1],
+            num=dimension[1]+1
+        )
+        phi_grid = np.linspace(
+            phi_grid_bounds[0],
+            phi_grid_bounds[1],
+            num=dimension[2]+1
+        )
+        origin = np.array([
+            cached_bb.center[0], cached_bb.center[1], cached_bb.center[2]])
+
+        return cls(r_grid=r_grid, phi_grid=phi_grid, theta_grid=theta_grid,
+                   origin=origin, mesh_id=mesh_id, name=name)
+
     def to_xml_element(self):
         """Return XML representation of the mesh
 
diff --git a/src/mesh.cpp b/src/mesh.cpp
index 8280177ac..d61058525 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -1794,7 +1794,8 @@ Position SphericalMesh::sample_element(
   double phi_min = this->phi(ijk[2] - 1);
   double phi_max = this->phi(ijk[2]);
 
-  double cos_theta = uniform_distribution(theta_min, theta_max, seed);
+  double cos_theta =
+    uniform_distribution(std::cos(theta_min), std::cos(theta_max), seed);
   double sin_theta = std::sin(std::acos(cos_theta));
   double phi = uniform_distribution(phi_min, phi_max, seed);
   double r_min_cub = std::pow(r_min, 3);
diff --git a/tests/unit_tests/test_mesh_from_domain.py b/tests/unit_tests/test_mesh_from_domain.py
index 0cbe413e8..0e3858913 100644
--- a/tests/unit_tests/test_mesh_from_domain.py
+++ b/tests/unit_tests/test_mesh_from_domain.py
@@ -40,7 +40,7 @@ def test_cylindrical_mesh_from_cell():
 
     assert isinstance(mesh, openmc.CylindricalMesh)
     assert np.array_equal(mesh.dimension, (1, 1, 1))
-    assert np.array_equal(mesh.r_grid, [0., 150.])
+    assert np.array_equal(mesh.r_grid, [0., 50.])
     assert np.array_equal(mesh.origin, [100., 0., 10.])
 
     # Cell is not centralized on Z, X or Y axis
@@ -49,7 +49,7 @@ def test_cylindrical_mesh_from_cell():
     mesh = openmc.CylindricalMesh.from_domain(domain=cell, dimension=[1, 1, 1])
 
     assert isinstance(mesh, openmc.CylindricalMesh)
-    assert np.array_equal(mesh.r_grid, [0., 220.])
+    assert np.array_equal(mesh.r_grid, [0., 50.])
     assert np.array_equal(mesh.origin, [100., 170., 10.])
 
 
@@ -87,6 +87,34 @@ def test_cylindrical_mesh_from_region():
     assert np.array_equal(mesh.origin, (0.0, 0.0, -30.))
 
 
+def test_spherical_mesh_from_domain():
+    """Tests a SphericalMesh can be made from a Region and the specified
+    dimensions are propagated through. Cell is not centralized"""
+    sphere = openmc.Sphere(r=5, x0=2, y0=3, z0=4)
+    region = -sphere
+
+    geometry = openmc.Geometry(openmc.Universe(cells=[openmc.Cell(region=region)]))
+
+    region_mesh = openmc.SphericalMesh.from_domain(
+        domain=region, dimension=(4, 3, 4))
+    universe_mesh = openmc.SphericalMesh.from_domain(
+        domain=geometry.root_universe, dimension=(4, 3, 4))
+    geometry_mesh = openmc.SphericalMesh.from_domain(
+        domain=geometry, dimension=(4, 3, 4))
+
+
+    for mesh in (region_mesh, universe_mesh, geometry_mesh):
+        assert isinstance(mesh, openmc.SphericalMesh)
+        assert np.array_equal(mesh.dimension, (4, 3, 4))
+        assert np.array_equal(mesh.r_grid, [0., 1.25, 2.5, 3.75, 5.0])
+        assert np.array_equal(mesh.theta_grid, [0., np.pi/3., 2*np.pi/3., np.pi])
+        assert np.array_equal(mesh.phi_grid, [0., np.pi/2., np.pi, 3*np.pi/2., 2*np.pi])
+        assert np.array_equal(mesh.origin, (2.0, 3.0, 4.0))
+
+        for p in mesh.centroids.reshape(-1, 3):
+            assert p in mesh.bounding_box
+
+
 def test_reg_mesh_from_universe():
     """Tests a RegularMesh can be made from a Universe and the default
     dimensions are propagated through. Universe is centralized"""
diff --git a/tests/unit_tests/test_source_mesh.py b/tests/unit_tests/test_source_mesh.py
index 43bb1678c..d023c1335 100644
--- a/tests/unit_tests/test_source_mesh.py
+++ b/tests/unit_tests/test_source_mesh.py
@@ -396,3 +396,48 @@ def test_mesh_source_file(run_in_tmpdir):
         assert site.u == source_particle.u
         assert site.time == source_particle.time
         assert site.r in bbox
+
+
+@pytest.mark.parametrize("mesh_type", ('rectangular', 'cylindrical', 'spherical'))
+def test_mesh_spatial(run_in_tmpdir, mesh_type):
+    """Test that a spherical mesh source works as expected."""
+    model = openmc.Model()
+
+    # Set up geometry, a box that is shifted in x, y, and z
+    box = openmc.model.RectangularParallelepiped(5.0, 25.0, -20.0, 20.0, -30.0, 30.0, boundary_type='vacuum')
+    mat = openmc.Material()
+    mat.add_nuclide('H1', 1.0)
+    model.geometry = openmc.Geometry([openmc.Cell(fill=mat, region=-box)])
+
+    # Create a mesh of each type in turn
+    if mesh_type == 'rectangular':
+        mesh = openmc.RegularMesh.from_domain(model.geometry, (10, 2, 2))
+    elif mesh_type == 'cylindrical':
+        mesh = openmc.CylindricalMesh.from_domain(model.geometry, (10, 2, 2))
+        assert max(mesh.r_grid) == 10.0, "Cylindrical mesh radius exceeds geometry bounds"
+        assert mesh.origin[0] == 15.0, "Cylindrical mesh origin x-coordinate is incorrect"
+    elif mesh_type == 'spherical':
+        mesh = openmc.SphericalMesh.from_domain(model.geometry, (10, 2, 2))
+        assert max(mesh.r_grid) == 10.0, "Spherical mesh radius exceeds geometry bounds"
+        assert mesh.origin[0] == 15.0, "Spherical mesh origin x-coordinate is incorrect"
+
+    # Create a mesh source with a single particle
+    ind_source = openmc.IndependentSource(space=openmc.stats.MeshSpatial(mesh, np.prod(mesh.dimension)*[1.0]))
+    model.settings.source = ind_source
+
+    model.settings.particles = 100
+    model.settings.batches = 10
+    model.settings.run_mode = 'fixed source'
+
+    model.export_to_model_xml()
+
+    openmc.lib.init()
+    openmc.lib.simulation_init()
+    sites = openmc.lib.sample_external_source(10)
+    openmc.lib.simulation_finalize()
+    openmc.lib.finalize()
+
+    # Check that the sites are within the spherical mesh bounds
+    bbox = mesh.bounding_box
+    for site in sites:
+        assert site.r in bbox

From f571be87c5e46587ce898dd5fa944512283b6ea3 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 10 Jun 2025 22:51:51 -0500
Subject: [PATCH 2319/2654] Add user setting for source rejection fraction
 (#3433)

---
 docs/source/io_formats/settings.rst | 12 ++++++-
 include/openmc/settings.h           |  2 ++
 include/openmc/source.h             |  5 ++-
 openmc/settings.py                  | 28 ++++++++++++++++
 src/error.cpp                       | 25 ++++++++-------
 src/finalize.cpp                    |  1 +
 src/settings.cpp                    |  7 ++++
 src/source.cpp                      | 50 +++++++++++++++--------------
 tests/unit_tests/test_settings.py   |  5 +--
 tests/unit_tests/test_source.py     | 33 +++++++++++++------
 10 files changed, 118 insertions(+), 50 deletions(-)

diff --git a/docs/source/io_formats/settings.rst b/docs/source/io_formats/settings.rst
index cef9bf911..26673faac 100644
--- a/docs/source/io_formats/settings.rst
+++ b/docs/source/io_formats/settings.rst
@@ -487,7 +487,7 @@ found in the :ref:`random ray user guide <random_ray>`.
 
         :type:
           The type of the domain. Can be ``material``, ``cell``, or ``universe``.
-  
+
   :diagonal_stabilization_rho:
     The rho factor for use with diagonal stabilization. This technique is
     applied when negative diagonal (in-group) elements are detected in
@@ -917,6 +917,16 @@ variable and whose sub-elements/attributes are as follows:
   :dist:
     This sub-element of a ``pair`` element provides information on the corresponding univariate distribution.
 
+---------------------------------------
+``<source_rejection_fraction>`` Element
+---------------------------------------
+
+The ``<source_rejection_fraction>`` element specifies the minimum fraction of
+external source sites that must be accepted when applying rejection sampling
+based on constraints.
+
+   *Default*: 0.05
+
 -------------------------
 ``<state_point>`` Element
 -------------------------
diff --git a/include/openmc/settings.h b/include/openmc/settings.h
index 9017b2d08..069d94c3b 100644
--- a/include/openmc/settings.h
+++ b/include/openmc/settings.h
@@ -145,6 +145,8 @@ extern std::unordered_set<int>
   statepoint_batch; //!< Batches when state should be written
 extern std::unordered_set<int>
   source_write_surf_id; //!< Surface ids where sources will be written
+extern double source_rejection_fraction; //!< Minimum fraction of source sites
+                                         //!< that must be accepted
 
 extern int
   max_history_splits; //!< maximum number of particle splits for weight windows
diff --git a/include/openmc/source.h b/include/openmc/source.h
index 6733eaeff..e82c42269 100644
--- a/include/openmc/source.h
+++ b/include/openmc/source.h
@@ -21,10 +21,9 @@ namespace openmc {
 // Constants
 //==============================================================================
 
-// Maximum number of external source spatial resamples to encounter before an
-// error is thrown.
+// Minimum number of external source sites rejected before checking againts the
+// source_rejection_fraction
 constexpr int EXTSRC_REJECT_THRESHOLD {10000};
-constexpr double EXTSRC_REJECT_FRACTION {0.05};
 
 //==============================================================================
 // Global variables
diff --git a/openmc/settings.py b/openmc/settings.py
index 4cacefbed..bd3a89e11 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -222,6 +222,10 @@ class Settings:
         Number of random numbers allocated for each source particle history
     source : Iterable of openmc.SourceBase
         Distribution of source sites in space, angle, and energy
+    source_rejection_fraction : float
+        Minimum fraction of source sites that must be accepted when applying
+        rejection sampling based on constraints. If not specified, the default
+        value is 0.05.
     sourcepoint : dict
         Options for writing source points. Acceptable keys are:
 
@@ -357,6 +361,7 @@ class Settings:
 
         # Source subelement
         self._source = cv.CheckedList(SourceBase, 'source distributions')
+        self._source_rejection_fraction = None
 
         self._confidence_intervals = None
         self._electron_treatment = None
@@ -1224,6 +1229,17 @@ class Settings:
         cv.check_type('use decay photons', value, bool)
         self._use_decay_photons = value
 
+    @property
+    def source_rejection_fraction(self) -> float:
+        return self._source_rejection_fraction
+
+    @source_rejection_fraction.setter
+    def source_rejection_fraction(self, source_rejection_fraction: float):
+        cv.check_type('source_rejection_fraction', source_rejection_fraction, Real)
+        cv.check_greater_than('source_rejection_fraction', source_rejection_fraction, 0)
+        cv.check_less_than('source_rejection_fraction', source_rejection_fraction, 1)
+        self._source_rejection_fraction = source_rejection_fraction
+
     def _create_run_mode_subelement(self, root):
         elem = ET.SubElement(root, "run_mode")
         elem.text = self._run_mode.value
@@ -1685,6 +1701,11 @@ class Settings:
                     subelement = ET.SubElement(element, key)
                     subelement.text = str(value)
 
+    def _create_source_rejection_fraction_subelement(self, root):
+        if self._source_rejection_fraction is not None:
+            element = ET.SubElement(root, "source_rejection_fraction")
+            element.text = str(self._source_rejection_fraction)
+
     def _eigenvalue_from_xml_element(self, root):
         elem = root.find('eigenvalue')
         if elem is not None:
@@ -2104,6 +2125,11 @@ class Settings:
         if text is not None:
             self.use_decay_photons = text in ('true', '1')
 
+    def _source_rejection_fraction_from_xml_element(self, root):
+        text = get_text(root, 'source_rejection_fraction')
+        if text is not None:
+            self.source_rejection_fraction = float(text)
+
     def to_xml_element(self, mesh_memo=None):
         """Create a 'settings' element to be written to an XML file.
 
@@ -2171,6 +2197,7 @@ class Settings:
         self._create_max_tracks_subelement(element)
         self._create_random_ray_subelement(element, mesh_memo)
         self._create_use_decay_photons_subelement(element)
+        self._create_source_rejection_fraction_subelement(element)
 
         # Clean the indentation in the file to be user-readable
         clean_indentation(element)
@@ -2279,6 +2306,7 @@ class Settings:
         settings._max_tracks_from_xml_element(elem)
         settings._random_ray_from_xml_element(elem)
         settings._use_decay_photons_from_xml_element(elem)
+        settings._source_rejection_fraction_from_xml_element(elem)
 
         return settings
 
diff --git a/src/error.cpp b/src/error.cpp
index 566950a97..f99f5935f 100644
--- a/src/error.cpp
+++ b/src/error.cpp
@@ -110,23 +110,26 @@ void write_message(const std::string& message, int level)
 
 void fatal_error(const std::string& message, int err)
 {
+#pragma omp critical(FatalError)
+  {
 #ifdef _POSIX_VERSION
-  // Make output red if user is in a terminal
-  if (isatty(STDERR_FILENO)) {
-    std::cerr << "\033[0;31m";
-  }
+    // Make output red if user is in a terminal
+    if (isatty(STDERR_FILENO)) {
+      std::cerr << "\033[0;31m";
+    }
 #endif
 
-  // Write error message
-  std::cerr << " ERROR: ";
-  output(message, std::cerr, 8);
+    // Write error message
+    std::cerr << " ERROR: ";
+    output(message, std::cerr, 8);
 
 #ifdef _POSIX_VERSION
-  // Reset color for terminal
-  if (isatty(STDERR_FILENO)) {
-    std::cerr << "\033[0m";
-  }
+    // Reset color for terminal
+    if (isatty(STDERR_FILENO)) {
+      std::cerr << "\033[0m";
+    }
 #endif
+  }
 
 #ifdef OPENMC_MPI
   MPI_Abort(mpi::intracomm, err);
diff --git a/src/finalize.cpp b/src/finalize.cpp
index 54aa1d1d9..9cbebc878 100644
--- a/src/finalize.cpp
+++ b/src/finalize.cpp
@@ -119,6 +119,7 @@ int openmc_finalize()
   settings::run_CE = true;
   settings::run_mode = RunMode::UNSET;
   settings::source_latest = false;
+  settings::source_rejection_fraction = 0.05;
   settings::source_separate = false;
   settings::source_write = true;
   settings::ssw_cell_id = C_NONE;
diff --git a/src/settings.cpp b/src/settings.cpp
index c8230a10f..9afe74361 100644
--- a/src/settings.cpp
+++ b/src/settings.cpp
@@ -124,6 +124,7 @@ RunMode run_mode {RunMode::UNSET};
 SolverType solver_type {SolverType::MONTE_CARLO};
 std::unordered_set<int> sourcepoint_batch;
 std::unordered_set<int> statepoint_batch;
+double source_rejection_fraction {0.05};
 std::unordered_set<int> source_write_surf_id;
 int64_t ssw_max_particles;
 int64_t ssw_max_files;
@@ -644,6 +645,12 @@ void read_settings_xml(pugi::xml_node root)
     write_initial_source = get_node_value_bool(root, "write_initial_source");
   }
 
+  // Get relative number of lost particles
+  if (check_for_node(root, "source_rejection_fraction")) {
+    source_rejection_fraction =
+      std::stod(get_node_value(root, "source_rejection_fraction"));
+  }
+
   // Survival biasing
   if (check_for_node(root, "survival_biasing")) {
     survival_biasing = get_node_value_bool(root, "survival_biasing");
diff --git a/src/source.cpp b/src/source.cpp
index 8e6eb4f11..6ee0b5603 100644
--- a/src/source.cpp
+++ b/src/source.cpp
@@ -157,11 +157,28 @@ void Source::read_constraints(pugi::xml_node node)
   }
 }
 
+void check_rejection_fraction(int64_t n_reject, int64_t n_accept)
+{
+  // Don't check unless we've hit a minimum number of total sites rejected
+  if (n_reject < EXTSRC_REJECT_THRESHOLD)
+    return;
+
+  // Compute fraction of accepted sites and compare against minimum
+  double fraction = static_cast<double>(n_accept) / n_reject;
+  if (fraction <= settings::source_rejection_fraction) {
+    fatal_error(fmt::format(
+      "Too few source sites satisfied the constraints (minimum source "
+      "rejection fraction = {}). Please check your source definition or "
+      "set a lower value of Settings.source_rejection_fraction.",
+      settings::source_rejection_fraction));
+  }
+}
+
 SourceSite Source::sample_with_constraints(uint64_t* seed) const
 {
   bool accepted = false;
-  static int n_reject = 0;
-  static int n_accept = 0;
+  static int64_t n_reject = 0;
+  static int64_t n_accept = 0;
   SourceSite site;
 
   while (!accepted) {
@@ -176,13 +193,9 @@ SourceSite Source::sample_with_constraints(uint64_t* seed) const
                  satisfies_energy_constraints(site.E) &&
                  satisfies_time_constraints(site.time);
       if (!accepted) {
+        // Increment number of rejections and check against minimum fraction
         ++n_reject;
-        if (n_reject >= EXTSRC_REJECT_THRESHOLD &&
-            static_cast<double>(n_accept) / n_reject <=
-              EXTSRC_REJECT_FRACTION) {
-          fatal_error("More than 95% of external source sites sampled were "
-                      "rejected. Please check your source definition.");
-        }
+        check_rejection_fraction(n_reject, n_accept);
 
         // For the "kill" strategy, accept particle but set weight to 0 so that
         // it is terminated immediately
@@ -337,8 +350,8 @@ SourceSite IndependentSource::sample(uint64_t* seed) const
 
   // Repeat sampling source location until a good site has been accepted
   bool accepted = false;
-  static int n_reject = 0;
-  static int n_accept = 0;
+  static int64_t n_reject = 0;
+  static int64_t n_accept = 0;
 
   while (!accepted) {
 
@@ -351,12 +364,7 @@ SourceSite IndependentSource::sample(uint64_t* seed) const
     // Check for rejection
     if (!accepted) {
       ++n_reject;
-      if (n_reject >= EXTSRC_REJECT_THRESHOLD &&
-          static_cast<double>(n_accept) / n_reject <= EXTSRC_REJECT_FRACTION) {
-        fatal_error("More than 95% of external source sites sampled were "
-                    "rejected. Please check your external source's spatial "
-                    "definition.");
-      }
+      check_rejection_fraction(n_reject, n_accept);
     }
   }
 
@@ -381,18 +389,12 @@ SourceSite IndependentSource::sample(uint64_t* seed) const
       site.E = energy_->sample(seed);
 
       // Resample if energy falls above maximum particle energy
-      if (site.E < data::energy_max[p] and
+      if (site.E < data::energy_max[p] &&
           (satisfies_energy_constraints(site.E)))
         break;
 
       n_reject++;
-      if (n_reject >= EXTSRC_REJECT_THRESHOLD &&
-          static_cast<double>(n_accept) / n_reject <= EXTSRC_REJECT_FRACTION) {
-        fatal_error(
-          "More than 95% of external source sites sampled were "
-          "rejected. Please check your external source energy spectrum "
-          "definition.");
-      }
+      check_rejection_fraction(n_reject, n_accept);
     }
 
     // Sample particle creation time
diff --git a/tests/unit_tests/test_settings.py b/tests/unit_tests/test_settings.py
index 397d70434..7f202bcdc 100644
--- a/tests/unit_tests/test_settings.py
+++ b/tests/unit_tests/test_settings.py
@@ -66,8 +66,8 @@ def test_export_to_xml(run_in_tmpdir):
             space=openmc.stats.Box((-1., -1., -1.), (1., 1., 1.))
         )
     }
-
     s.max_particle_events = 100
+    s.source_rejection_fraction = 0.01
 
     # Make sure exporting XML works
     s.export_to_xml()
@@ -130,7 +130,7 @@ def test_export_to_xml(run_in_tmpdir):
     assert s.log_grid_bins == 2000
     assert not s.photon_transport
     assert s.electron_treatment == 'led'
-    assert s.write_initial_source == True
+    assert s.write_initial_source
     assert len(s.volume_calculations) == 1
     vol = s.volume_calculations[0]
     assert vol.domain_type == 'cell'
@@ -144,3 +144,4 @@ def test_export_to_xml(run_in_tmpdir):
     assert s.random_ray['distance_active'] == 100.0
     assert s.random_ray['ray_source'].space.lower_left == [-1., -1., -1.]
     assert s.random_ray['ray_source'].space.upper_right == [1., 1., 1.]
+    assert s.source_rejection_fraction == 0.01
diff --git a/tests/unit_tests/test_source.py b/tests/unit_tests/test_source.py
index c88fbcbe6..bb8a1b785 100644
--- a/tests/unit_tests/test_source.py
+++ b/tests/unit_tests/test_source.py
@@ -264,21 +264,36 @@ def test_constraints_file(sphere_box_model, run_in_tmpdir):
 
 
 @pytest.mark.skipif(config['mpi'], reason='Not compatible with MPI')
-def test_rejection_limit(sphere_box_model, run_in_tmpdir):
-    model, cell1 = sphere_box_model[:2]
+def test_rejection_fraction(run_in_tmpdir):
+    mat = openmc.Material()
+    mat.add_nuclide('H1', 1.0)
+    w = 0.25
+    rpp1 = openmc.model.RectangularParallelepiped(
+        -w/2, w/2, -w/2, w/2, -w/2, w/2)
+    rpp2 = openmc.model.RectangularParallelepiped(
+        -0.5, 0.5, -0.5, 0.5, -0.5, 0.5, boundary_type='vacuum')
+    cell1 = openmc.Cell(fill=mat, region=-rpp1)
+    cell2 = openmc.Cell(region=+rpp1 & -rpp2)
+    model = openmc.Model()
+    model.geometry = openmc.Geometry([cell1, cell2])
 
-    # Define a point source that will get rejected 100% of the time
+    # Create a box source over a 1 cm³ volume that is constrained to the source
+    # cell of volume (0.25 cm)³ = 0.0125 cm³, which means the default rejection
+    # fraction of 0.05 won't work
+    model.settings.particles = 1000
+    model.settings.batches = 1
+    model.settings.run_mode = 'fixed source'
     model.settings.source = openmc.IndependentSource(
-        space=openmc.stats.Point((-3., 0., 0.)),
+        space=openmc.stats.Box(*(-rpp2).bounding_box),
         constraints={'domains': [cell1]}
     )
-
-    # Confirm that OpenMC doesn't run in an infinite loop. Note that this may
-    # work when running with MPI since it won't necessarily capture the error
-    # message correctly
-    with pytest.raises(RuntimeError, match="rejected"):
+    with pytest.raises(RuntimeError, match='Too few source sites'):
         model.run(openmc_exec=config['exe'])
 
+    # With a source rejection fraction below 0.0125, the simulation should run
+    model.settings.source_rejection_fraction = 0.005
+    model.run(openmc_exec=config['exe'])
+
 
 def test_exceptions():
 

From 2eeba89992ee8832147957ec0e330aa363bf189e Mon Sep 17 00:00:00 2001
From: John Tramm <john.tramm@gmail.com>
Date: Wed, 11 Jun 2025 12:41:38 -0500
Subject: [PATCH 2320/2654] Apply Max Number of Events Check to Random Rays
 (#3438)

Co-authored-by: Jonathan Shimwell <drshimwell@gmail.com>
---
 src/random_ray/random_ray.cpp | 6 ++++++
 1 file changed, 6 insertions(+)

diff --git a/src/random_ray/random_ray.cpp b/src/random_ray/random_ray.cpp
index 27819591c..36eab0628 100644
--- a/src/random_ray/random_ray.cpp
+++ b/src/random_ray/random_ray.cpp
@@ -265,6 +265,12 @@ uint64_t RandomRay::transport_history_based_single_ray()
     if (!alive())
       break;
     event_cross_surface();
+    // If ray has too many events, display warning and kill it
+    if (n_event() >= settings::max_particle_events) {
+      warning("Ray " + std::to_string(id()) +
+              " underwent maximum number of events, terminating ray.");
+      wgt() = 0.0;
+    }
   }
 
   return n_event();

From e678b1a057e4dfe079ee27fd73886a8b2249f0c5 Mon Sep 17 00:00:00 2001
From: GuySten <62616591+GuySten@users.noreply.github.com>
Date: Thu, 12 Jun 2025 01:54:04 +0300
Subject: [PATCH 2321/2654] Fix raytrace infinite loop. (#3423)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 src/mesh.cpp                  |  9 +++++++--
 tests/unit_tests/test_mesh.py | 33 +++++++++++++++++++++++++++++++++
 2 files changed, 40 insertions(+), 2 deletions(-)

diff --git a/src/mesh.cpp b/src/mesh.cpp
index d61058525..becbbd3fd 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -989,7 +989,7 @@ void StructuredMesh::raytrace_mesh(
       // For all directions outside the mesh, find the distance that we need
       // to travel to reach the next surface. Use the largest distance, as
       // only this will cross all outer surfaces.
-      int k_max {0};
+      int k_max {-1};
       for (int k = 0; k < n; ++k) {
         if ((ijk[k] < 1 || ijk[k] > shape_[k]) &&
             (distances[k].distance > traveled_distance)) {
@@ -997,6 +997,10 @@ void StructuredMesh::raytrace_mesh(
           k_max = k;
         }
       }
+      // Assure some distance is traveled
+      if (k_max == -1) {
+        traveled_distance += TINY_BIT;
+      }
 
       // If r1 is not inside the mesh, exit here
       if (traveled_distance >= total_distance)
@@ -1011,7 +1015,7 @@ void StructuredMesh::raytrace_mesh(
       }
 
       // If inside the mesh, Tally inward current
-      if (in_mesh)
+      if (in_mesh && k_max >= 0)
         tally.surface(ijk, k_max, !distances[k_max].max_surface, true);
     }
   }
@@ -1207,6 +1211,7 @@ StructuredMesh::MeshDistance RegularMesh::distance_to_grid_boundary(
     d.next_index--;
     d.distance = (negative_grid_boundary(ijk, i) - r0[i]) / u[i];
   }
+
   return d;
 }
 
diff --git a/tests/unit_tests/test_mesh.py b/tests/unit_tests/test_mesh.py
index 49556fce3..3c8e988c0 100644
--- a/tests/unit_tests/test_mesh.py
+++ b/tests/unit_tests/test_mesh.py
@@ -618,3 +618,36 @@ def test_mesh_material_volumes_serialize():
     assert new_volumes.by_element(1) == [(None, 1.0)]
     assert new_volumes.by_element(2) == [(2, 0.5), (1, 0.5)]
     assert new_volumes.by_element(3) == [(2, 1.0)]
+
+
+def test_raytrace_mesh_infinite_loop():
+    # Create a model with one large spherical cell
+    sphere = openmc.Sphere(r=100, boundary_type='vacuum')
+    cell = openmc.Cell(region=-sphere)
+    model = openmc.Model()
+    model.geometry = openmc.Geometry([cell])
+
+    # Create a regular mesh and associated tally
+    mesh_surface = openmc.RegularMesh()
+    mesh_surface.lower_left = (-30, -30, 30)
+    mesh_surface.upper_right = (30, 30, 60)
+    mesh_surface.dimension = (1, 1, 1)
+    reg_filter = openmc.MeshSurfaceFilter(mesh_surface)
+    mesh_surface_tally = openmc.Tally()
+    mesh_surface_tally.filters = [reg_filter]
+    mesh_surface_tally.scores = ['current']
+    model.tallies = [mesh_surface_tally]
+
+    # Define a source such that the z position is on a mesh boundary with a very
+    # small directional cosine in the z direction
+    polar = openmc.stats.delta_function(1.75e-7)
+    azimuthal = openmc.stats.Uniform(0.0, 2.0*pi)
+    model.settings.source = openmc.IndependentSource(
+        angle=openmc.stats.PolarAzimuthal(polar, azimuthal)
+    )
+    model.settings.run_mode = 'fixed source'
+    model.settings.particles = 10
+    model.settings.batches =  1
+
+    # Run the model; this should not cause an infinite loop
+    model.run()

From 6c9c69628cbab69ecd46dc50c2585ab9fd5251f6 Mon Sep 17 00:00:00 2001
From: April Novak <novak@berkeley.edu>
Date: Thu, 12 Jun 2025 11:49:59 -0500
Subject: [PATCH 2322/2654] update units for flux (#3441)

---
 docs/source/methods/random_ray.rst | 4 +---
 1 file changed, 1 insertion(+), 3 deletions(-)

diff --git a/docs/source/methods/random_ray.rst b/docs/source/methods/random_ray.rst
index 41f95f0a9..5e17316aa 100644
--- a/docs/source/methods/random_ray.rst
+++ b/docs/source/methods/random_ray.rst
@@ -109,9 +109,7 @@ terms on the right hand side.
 In Equation :eq:`transport`, :math:`\psi` is the angular neutron flux. This
 parameter represents the total distance traveled by all neutrons in a particular
 direction inside of a control volume per second, and is often given in units of
-:math:`1/(\text{cm}^{2} \text{s})`. As OpenMC does not support time dependence
-in the random ray solver mode, we consider the steady state equation, where the
-units of flux become :math:`1/\text{cm}^{2}`. The angular direction unit vector,
+:math:`1/(\text{cm}^{2} \text{s})`. The angular direction unit vector,
 :math:`\mathbf{\Omega}`, represents the direction of travel for the neutron. The
 spatial position vector, :math:`\mathbf{r}`,  represents the location within the
 simulation. The neutron energy, :math:`E`, or speed in continuous space, is

From f81962c960929edc055198527d544db36f150747 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Thu, 12 Jun 2025 23:02:35 +0200
Subject: [PATCH 2323/2654] Allowing chain_file to be chain object to save
 reloading time (#3436)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/deplete/abc.py                         | 11 +++---
 openmc/deplete/chain.py                       | 38 ++++++++++++++++++-
 openmc/deplete/coupled_operator.py            |  6 +--
 openmc/deplete/d1s.py                         | 15 ++++----
 openmc/deplete/independent_operator.py        | 12 +++---
 openmc/deplete/microxs.py                     | 35 +++++------------
 openmc/deplete/openmc_operator.py             |  6 +--
 tests/unit_tests/test_d1s.py                  |  3 +-
 .../test_deplete_coupled_operator.py          |  6 ++-
 .../test_deplete_independent_operator.py      |  5 ++-
 10 files changed, 81 insertions(+), 56 deletions(-)

diff --git a/openmc/deplete/abc.py b/openmc/deplete/abc.py
index 4b43dd221..e6d4c1512 100644
--- a/openmc/deplete/abc.py
+++ b/openmc/deplete/abc.py
@@ -24,7 +24,7 @@ from openmc.mpi import comm
 from openmc.utility_funcs import change_directory
 from openmc import Material
 from .stepresult import StepResult
-from .chain import Chain
+from .chain import _get_chain
 from .results import Results, _SECONDS_PER_MINUTE, _SECONDS_PER_HOUR, \
     _SECONDS_PER_DAY, _SECONDS_PER_JULIAN_YEAR
 from .pool import deplete
@@ -126,8 +126,8 @@ class TransportOperator(ABC):
 
     Parameters
     ----------
-    chain_file : str
-        Path to the depletion chain XML file
+    chain_file : PathLike or Chain
+        Path to the depletion chain XML file or instance of openmc.deplete.Chain.
     fission_q : dict, optional
         Dictionary of nuclides and their fission Q values [eV]. If not given,
         values will be pulled from the ``chain_file``.
@@ -145,11 +145,12 @@ class TransportOperator(ABC):
         The depletion chain information necessary to form matrices and tallies.
 
     """
-    def __init__(self, chain_file, fission_q=None, prev_results=None):
+    def __init__(self, chain_file=None, fission_q=None, prev_results=None):
         self.output_dir = '.'
 
         # Read depletion chain
-        self.chain = Chain.from_xml(chain_file, fission_q)
+        self.chain = _get_chain(chain_file, fission_q)
+
         if prev_results is None:
             self.prev_res = None
         else:
diff --git a/openmc/deplete/chain.py b/openmc/deplete/chain.py
index 9f234683a..07db48799 100644
--- a/openmc/deplete/chain.py
+++ b/openmc/deplete/chain.py
@@ -17,8 +17,9 @@ from typing import List
 import lxml.etree as ET
 import scipy.sparse as sp
 
-from openmc.checkvalue import check_type, check_greater_than
+from openmc.checkvalue import check_type, check_greater_than, PathLike
 from openmc.data import gnds_name, zam
+from openmc.exceptions import DataError
 from .nuclide import FissionYieldDistribution, Nuclide
 import openmc.data
 
@@ -1246,3 +1247,38 @@ class Chain:
         found.update(isotopes)
 
         return found
+
+
+def _get_chain(
+    chain_file: PathLike | Chain | None = None,
+    fission_q: dict | None = None
+) -> Chain:
+    """Get a depletion chain from a file or the runtime configuration.
+
+    Parameters
+    ----------
+    chain_file : PathLike or Chain, optional
+        Path to depletion chain XML file, a Chain instance, or None to use
+        the file specified in ``openmc.config['chain_file']``.
+    fission_q : dict, optional
+        Dictionary of nuclides and their fission Q values [eV]. If not given,
+        values will be pulled from the ``chain_file``.
+
+    Returns
+    -------
+    Chain
+        Depletion chain instance.
+    """
+    if isinstance(chain_file, Chain):
+        return chain_file
+    elif isinstance(chain_file, PathLike | None):
+        if chain_file is None:
+            chain_file = openmc.config.get('chain_file')
+            if 'chain_file' not in openmc.config:
+                raise DataError(
+                    "No depletion chain specified and could not find depletion "
+                    "chain in openmc.config['chain_file']"
+                )
+        return Chain.from_xml(chain_file, fission_q)
+    else:
+        raise TypeError("chain_file must be path-like, a Chain, or None")
diff --git a/openmc/deplete/coupled_operator.py b/openmc/deplete/coupled_operator.py
index 7ecfd5a08..34bb28b49 100644
--- a/openmc/deplete/coupled_operator.py
+++ b/openmc/deplete/coupled_operator.py
@@ -102,9 +102,9 @@ class CoupledOperator(OpenMCOperator):
     ----------
     model : openmc.model.Model
         OpenMC model object
-    chain_file : str, optional
-        Path to the depletion chain XML file. Defaults to
-        ``openmc.config['chain_file']``.
+    chain_file : PathLike or Chain, optional
+        Path to the depletion chain XML file or instance of openmc.deplete.Chain.
+        Defaults to ``openmc.config['chain_file']``.
     prev_results : Results, optional
         Results from a previous depletion calculation. If this argument is
         specified, the depletion calculation will start from the latest state
diff --git a/openmc/deplete/d1s.py b/openmc/deplete/d1s.py
index 0a1ed74b1..e9f8bfe79 100644
--- a/openmc/deplete/d1s.py
+++ b/openmc/deplete/d1s.py
@@ -14,19 +14,20 @@ import numpy as np
 import openmc
 from openmc.data import half_life
 from .abc import _normalize_timesteps
-from .chain import Chain
+from .chain import Chain, _get_chain
+from ..checkvalue import PathLike
 
 
-def get_radionuclides(model: openmc.Model, chain_file: str | None = None) -> list[str]:
+def get_radionuclides(model: openmc.Model, chain_file: PathLike | Chain | None = None) -> list[str]:
     """Determine all radionuclides that can be produced during D1S.
 
     Parameters
     ----------
     model : openmc.Model
         Model that should be used for determining what nuclides are present
-    chain_file : str, optional
-        Which chain file to use for inspecting decay data. If None is passed,
-        defaults to ``openmc.config['chain_file']``
+    chain_file : PathLike | Chain
+        Path to the depletion chain XML file or instance of openmc.deplete.Chain.
+        Used for inspecting decay data. Defaults to ``openmc.config['chain_file']``
 
     Returns
     -------
@@ -39,9 +40,7 @@ def get_radionuclides(model: openmc.Model, chain_file: str | None = None) -> lis
                       for nuc in mat.get_nuclides()}
 
     # Load chain file
-    if chain_file is None:
-        chain_file = openmc.config['chain_file']
-    chain = Chain.from_xml(chain_file)
+    chain = _get_chain(chain_file)
 
     radionuclides = set()
     for nuclide in chain.nuclides:
diff --git a/openmc/deplete/independent_operator.py b/openmc/deplete/independent_operator.py
index b3fe9a78f..3eb50b05e 100644
--- a/openmc/deplete/independent_operator.py
+++ b/openmc/deplete/independent_operator.py
@@ -50,9 +50,9 @@ class IndependentOperator(OpenMCOperator):
         Cross sections in [b] for each domain. If the
         :class:`~openmc.deplete.MicroXS` object is empty, a decay-only
         calculation will be run.
-    chain_file : str
-        Path to the depletion chain XML file. Defaults to
-        ``openmc.config['chain_file']``.
+    chain_file : PathLike or Chain, optional
+        Path to the depletion chain XML file or instance of openmc.deplete.Chain.
+        Defaults to ``openmc.config['chain_file']``.
     keff : 2-tuple of float, optional
        keff eigenvalue and uncertainty from transport calculation.
     prev_results : Results, optional
@@ -179,9 +179,9 @@ class IndependentOperator(OpenMCOperator):
         micro_xs : MicroXS
             Cross sections in [b]. If the :class:`~openmc.deplete.MicroXS`
             object is empty, a decay-only calculation will be run.
-        chain_file : str, optional
-            Path to the depletion chain XML file. Defaults to
-            ``openmc.config['chain_file']``.
+        chain_file : PathLike or Chain, optional
+            Path to the depletion chain XML file or instance of
+            openmc.deplete.Chain. Defaults to ``openmc.config['chain_file']``.
         nuc_units : {'atom/cm3', 'atom/b-cm'}, optional
             Units for nuclide concentration.
         keff : 2-tuple of float, optional
diff --git a/openmc/deplete/microxs.py b/openmc/deplete/microxs.py
index 686d3bc38..d478db11b 100644
--- a/openmc/deplete/microxs.py
+++ b/openmc/deplete/microxs.py
@@ -12,13 +12,12 @@ import pandas as pd
 import numpy as np
 
 from openmc.checkvalue import check_type, check_value, check_iterable_type, PathLike
-from openmc.exceptions import DataError
 from openmc.utility_funcs import change_directory
 from openmc import StatePoint
 from openmc.mgxs import GROUP_STRUCTURES
 from openmc.data import REACTION_MT
 import openmc
-from .chain import Chain, REACTIONS
+from .chain import Chain, REACTIONS, _get_chain
 from .coupled_operator import _find_cross_sections, _get_nuclides_with_data
 import openmc.lib
 from openmc.mpi import comm
@@ -28,24 +27,13 @@ _valid_rxns.append('fission')
 _valid_rxns.append('damage-energy')
 
 
-def _resolve_chain_file_path(chain_file: str | None):
-    if chain_file is None:
-        chain_file = openmc.config.get('chain_file')
-        if 'chain_file' not in openmc.config:
-            raise DataError(
-                "No depletion chain specified and could not find depletion "
-                "chain in openmc.config['chain_file']"
-            )
-    return chain_file
-
-
 def get_microxs_and_flux(
         model: openmc.Model,
         domains,
         nuclides: Iterable[str] | None = None,
         reactions: Iterable[str] | None = None,
         energies: Iterable[float] | str | None = None,
-        chain_file: PathLike | None = None,
+        chain_file: PathLike | Chain | None = None,
         run_kwargs=None
     ) -> tuple[list[np.ndarray], list[MicroXS]]:
     """Generate a microscopic cross sections and flux from a Model
@@ -66,9 +54,9 @@ def get_microxs_and_flux(
         reactions listed in the depletion chain file are used.
     energies : iterable of float or str
         Energy group boundaries in [eV] or the name of the group structure
-    chain_file : str, optional
-        Path to the depletion chain XML file that will be used in depletion
-        simulation. Used to determine cross sections for materials not
+    chain_file : PathLike or Chain, optional
+        Path to the depletion chain XML file or an instance of
+        openmc.deplete.Chain. Used to determine cross sections for materials not
         present in the inital composition. Defaults to
         ``openmc.config['chain_file']``.
     run_kwargs : dict, optional
@@ -86,8 +74,7 @@ def get_microxs_and_flux(
     original_tallies = model.tallies
 
     # Determine what reactions and nuclides are available in chain
-    chain_file = _resolve_chain_file_path(chain_file)
-    chain = Chain.from_xml(chain_file)
+    chain = _get_chain(chain_file)
     if reactions is None:
         reactions = chain.reactions
     if not nuclides:
@@ -245,9 +232,9 @@ class MicroXS:
             Energy group boundaries in [eV] or the name of the group structure
         multi_group_flux : iterable of float
             Energy-dependent multigroup flux values
-        chain_file : str, optional
-            Path to the depletion chain XML file that will be used in depletion
-            simulation.  Defaults to ``openmc.config['chain_file']``.
+        chain_file : PathLike or Chain, optional
+            Path to the depletion chain XML file or an instance of
+            openmc.deplete.Chain. Defaults to ``openmc.config['chain_file']``.
         temperature : int, optional
             Temperature for cross section evaluation in [K].
         nuclides : list of str, optional
@@ -278,9 +265,7 @@ class MicroXS:
         if len(multigroup_flux) != len(energies) - 1:
             raise ValueError('Length of flux array should be len(energies)-1')
 
-        chain_file_path = _resolve_chain_file_path(chain_file)
-        chain = Chain.from_xml(chain_file_path)
-
+        chain = _get_chain(chain_file)
         cross_sections = _find_cross_sections(model=None)
         nuclides_with_data = _get_nuclides_with_data(cross_sections)
 
diff --git a/openmc/deplete/openmc_operator.py b/openmc/deplete/openmc_operator.py
index 4ef867372..2d7694093 100644
--- a/openmc/deplete/openmc_operator.py
+++ b/openmc/deplete/openmc_operator.py
@@ -36,9 +36,9 @@ class OpenMCOperator(TransportOperator):
     cross_sections : str or list of MicroXS
         Path to continuous energy cross section library, or list of objects
         containing cross sections.
-    chain_file : str, optional
-        Path to the depletion chain XML file. Defaults to
-        openmc.config['chain_file'].
+    chain_file : PathLike or Chain, optional
+        Path to the depletion chain XML file or instance of openmc.deplete.Chain.
+        Defaults to ``openmc.config['chain_file']``.
     prev_results : Results, optional
         Results from a previous depletion calculation. If this argument is
         specified, the depletion calculation will start from the latest state
diff --git a/tests/unit_tests/test_d1s.py b/tests/unit_tests/test_d1s.py
index 7c92dd6d9..115759489 100644
--- a/tests/unit_tests/test_d1s.py
+++ b/tests/unit_tests/test_d1s.py
@@ -22,7 +22,8 @@ def model():
 
 def test_get_radionuclides(model):
     # Check that radionuclides are correct and are unstable
-    nuclides = d1s.get_radionuclides(model, CHAIN_PATH)
+    chain = openmc.deplete.Chain.from_xml(CHAIN_PATH)
+    nuclides = d1s.get_radionuclides(model, chain)
     assert sorted(nuclides) == [
         'Co58', 'Co60', 'Co61', 'Co62', 'Co64',
         'Fe55', 'Fe59', 'Fe61', 'Ni57', 'Ni59', 'Ni63', 'Ni65'
diff --git a/tests/unit_tests/test_deplete_coupled_operator.py b/tests/unit_tests/test_deplete_coupled_operator.py
index ba291e07d..119a15923 100644
--- a/tests/unit_tests/test_deplete_coupled_operator.py
+++ b/tests/unit_tests/test_deplete_coupled_operator.py
@@ -5,7 +5,7 @@
 from pathlib import Path
 
 import pytest
-from openmc.deplete import CoupledOperator
+from openmc.deplete import CoupledOperator, Chain
 import openmc
 import numpy as np
 
@@ -106,11 +106,13 @@ def test_diff_volume_method_match_cell(model_with_volumes):
 def test_diff_volume_method_divide_equally(model_with_volumes):
     """Tests the volumes assigned to the materials are divided equally"""
 
+    chain = Chain.from_xml(CHAIN_PATH)
+
     operator = openmc.deplete.CoupledOperator(
         model=model_with_volumes,
         diff_burnable_mats=True,
         diff_volume_method='divide equally',
-        chain_file=CHAIN_PATH
+        chain_file=chain
     )
 
     all_cells = list(operator.model.geometry.get_all_cells().values())
diff --git a/tests/unit_tests/test_deplete_independent_operator.py b/tests/unit_tests/test_deplete_independent_operator.py
index c765d0650..aca83399a 100644
--- a/tests/unit_tests/test_deplete_independent_operator.py
+++ b/tests/unit_tests/test_deplete_independent_operator.py
@@ -7,7 +7,7 @@ from pathlib import Path
 import pytest
 
 from openmc import Material
-from openmc.deplete import IndependentOperator, MicroXS
+from openmc.deplete import IndependentOperator, MicroXS, Chain
 
 CHAIN_PATH = Path(__file__).parents[1] / "chain_simple.xml"
 ONE_GROUP_XS = Path(__file__).parents[1] / "micro_xs_simple.csv"
@@ -25,8 +25,9 @@ def test_operator_init():
                 'O17': 1.7588724018066158e+19}
     flux = 1.0
     micro_xs = MicroXS.from_csv(ONE_GROUP_XS)
+    chain = Chain.from_xml(CHAIN_PATH)
     IndependentOperator.from_nuclides(
-        volume, nuclides, flux, micro_xs, CHAIN_PATH, nuc_units='atom/cm3')
+        volume, nuclides, flux, micro_xs, chain, nuc_units='atom/cm3')
 
     fuel = Material(name="uo2")
     fuel.add_element("U", 1, percent_type="ao", enrichment=4.25)

From aeb1052c1907e4d12890fcbbc2bb53ee3c737aa3 Mon Sep 17 00:00:00 2001
From: John Tramm <john.tramm@gmail.com>
Date: Thu, 12 Jun 2025 19:54:35 -0500
Subject: [PATCH 2324/2654] Fix Resetting of Auto IDs When Generating MGXS
 (#3437)

---
 openmc/model/model.py | 5 +----
 1 file changed, 1 insertion(+), 4 deletions(-)

diff --git a/openmc/model/model.py b/openmc/model/model.py
index c19c8ac9f..7e679d10a 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -1552,7 +1552,6 @@ class Model:
                       "if a material has a k-infinity > 1.0.")
         mgxs_sets = []
         for material in self.materials:
-            openmc.reset_auto_ids()
             model = openmc.Model()
 
             # Set materials on the model
@@ -1749,7 +1748,6 @@ class Model:
         directory : str
             Directory to run the simulation in, so as to contain XML files.
         """
-        openmc.reset_auto_ids()
         model = openmc.Model()
         model.materials = self.materials
 
@@ -1861,7 +1859,6 @@ class Model:
         directory : PathLike
             Directory to run the simulation in, so as to contain XML files.
         """
-        openmc.reset_auto_ids()
         model = copy.deepcopy(self)
         model.tallies = openmc.Tallies()
 
@@ -1973,7 +1970,7 @@ class Model:
             # Make sure all materials have a name, and that the name is a valid HDF5
             # dataset name
             for material in self.materials:
-                if material.name is None:
+                if not material.name or not material.name.strip():
                     material.name = f"material {material.id}"
                 material.name = re.sub(r'[^a-zA-Z0-9]', '_', material.name)
 

From b11eb02655ab0112ce6001546c9311692d08c9b2 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 13 Jun 2025 15:38:16 -0500
Subject: [PATCH 2325/2654] Change Dockerfile from debian:bookworm-slim to
 ubuntu:24.04 (#3442)

---
 Dockerfile | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/Dockerfile b/Dockerfile
index 1ae615a50..9745f1512 100644
--- a/Dockerfile
+++ b/Dockerfile
@@ -24,7 +24,7 @@ ARG compile_cores=1
 ARG build_dagmc=off
 ARG build_libmesh=off
 
-FROM debian:bookworm-slim AS dependencies
+FROM ubuntu:24.04 AS dependencies
 
 ARG compile_cores
 ARG build_dagmc

From 23eab2c89bb6537cf3bf264215b38c6013a518e0 Mon Sep 17 00:00:00 2001
From: Jan Malec <jan.malec@ijs.si>
Date: Sat, 14 Jun 2025 08:39:31 +0200
Subject: [PATCH 2326/2654] Allow specifying number of equiprobable angles for
 thermal scattering data generation (#3346)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/data/njoy.py | 8 +++++---
 1 file changed, 5 insertions(+), 3 deletions(-)

diff --git a/openmc/data/njoy.py b/openmc/data/njoy.py
index e025cff0d..4c538bd6e 100644
--- a/openmc/data/njoy.py
+++ b/openmc/data/njoy.py
@@ -201,12 +201,12 @@ acer / %%%%%%%%%%%%%%%%%%%%%%%% Write out in ACE format %%%%%%%%%%%%%%%%%%%%%%%%
 _THERMAL_TEMPLATE_THERMR = """
 thermr / %%%%%%%%%%%%%%%% Add thermal scattering data (free gas) %%%%%%%%%%%%%%%
 0 {nthermr1_in} {nthermr1}
-0 {mat} 12 {num_temp} 1 0 {iform} 1 221 1/
+0 {mat} {nbin} {num_temp} 1 0 {iform} 1 221 1/
 {temps}
 {error} {energy_max}
 thermr / %%%%%%%%%%%%%%%% Add thermal scattering data (bound) %%%%%%%%%%%%%%%%%%
 {nthermal_endf} {nthermr2_in} {nthermr2}
-{mat_thermal} {mat} 16 {num_temp} {inelastic} {elastic} {iform} {natom} 222 1/
+{mat_thermal} {mat} {nbin} {num_temp} {inelastic} {elastic} {iform} {natom} 222 1/
 {temps}
 {error} {energy_max}
 """
@@ -495,7 +495,7 @@ def make_ace(filename, temperatures=None, acer=True, xsdir=None,
 def make_ace_thermal(filename, filename_thermal, temperatures=None,
                      ace=None, xsdir=None, output_dir=None, error=0.001,
                      iwt=2, evaluation=None, evaluation_thermal=None,
-                     table_name=None, zaids=None, nmix=None, **kwargs):
+                     table_name=None, zaids=None, nmix=None, nbin=16, **kwargs):
     """Generate thermal scattering ACE file from ENDF files
 
     Parameters
@@ -532,6 +532,8 @@ def make_ace_thermal(filename, filename_thermal, temperatures=None,
         ZAIDs that the thermal scattering data applies to
     nmix : int, optional
         Number of atom types in mixed moderator
+    nbin : int, optional
+        Number of equi-probable angles
     **kwargs
         Keyword arguments passed to :func:`openmc.data.njoy.run`
 

From 7a1cafa6c17d456dabdd4a2aa33fd5e586e98794 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Wed, 18 Jun 2025 00:36:35 +0200
Subject: [PATCH 2327/2654] adding plot function to DAGMCUnvierse (#3451)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/dagmc.py                     | 16 ++++++++++++++++
 tests/unit_tests/dagmc/test_plot.py | 14 +++++++++++---
 2 files changed, 27 insertions(+), 3 deletions(-)

diff --git a/openmc/dagmc.py b/openmc/dagmc.py
index 8ab0aaf69..3f20fb0ac 100644
--- a/openmc/dagmc.py
+++ b/openmc/dagmc.py
@@ -13,6 +13,7 @@ from .checkvalue import check_type, check_value
 from .surface import _BOUNDARY_TYPES
 from .bounding_box import BoundingBox
 from .utility_funcs import input_path
+from .plots import add_plot_params
 
 
 class DAGMCUniverse(openmc.UniverseBase):
@@ -566,6 +567,21 @@ class DAGMCUniverse(openmc.UniverseBase):
                 fill = mats_per_id[dag_cell.fill.id] if dag_cell.fill else None
             self.add_cell(openmc.DAGMCCell(cell_id=dag_cell_id, fill=fill))
 
+    @add_plot_params
+    def plot(self, *args, **kwargs):
+        """Display a slice plot of the DAGMCUniverse.
+        """
+        model = openmc.Model()
+        model.geometry = openmc.Geometry(self)
+
+        for mat_name in self.material_names:
+            material = openmc.Material(name=mat_name)
+            # Placeholder nuclide to ensure material is not empty
+            material.add_nuclide('H1', 1.0)
+            model.materials.append(material)
+
+        return model.plot(*args, **kwargs)
+
 
 class DAGMCCell(openmc.Cell):
     """A cell class for DAGMC-based geometries.
diff --git a/tests/unit_tests/dagmc/test_plot.py b/tests/unit_tests/dagmc/test_plot.py
index 83f6df767..d768ba508 100644
--- a/tests/unit_tests/dagmc/test_plot.py
+++ b/tests/unit_tests/dagmc/test_plot.py
@@ -7,9 +7,9 @@ pytestmark = pytest.mark.skipif(
     not openmc.lib._dagmc_enabled(), reason="DAGMC CAD geometry is not enabled."
 )
 
-def test_plotting_dagmc_geometry(request):
-    """Test plotting a DAGMC geometry with OpenMC. This is different to CSG
-    geometry plotting as the path to the DAGMC file needs handling."""
+def test_plotting_dagmc_model(request):
+    """Test plotting a DAGMC model with OpenMC. This is different to CSG
+    model plotting as the path to the DAGMC file needs handling."""
 
     dag_universe = openmc.DAGMCUniverse(request.path.parent / 'dagmc.h5m')
     csg_with_dag_inside = dag_universe.bounded_universe()
@@ -30,3 +30,11 @@ def test_plotting_dagmc_geometry(request):
     model.settings.particles = 50
 
     model.plot()
+
+
+def test_plotting_dagmc_universe(request):
+    """Test plotting a DAGMCUniverse with OpenMC. This is different to plotting
+    UniverseBase as the materials are not defined withing the DAGMCUniverse."""
+
+    dag_universe = openmc.DAGMCUniverse(request.path.parent / 'dagmc.h5m')
+    dag_universe.plot()

From f31130d36798aef0ca7bed6a73e24a9281c6c51c Mon Sep 17 00:00:00 2001
From: John Tramm <john.tramm@gmail.com>
Date: Wed, 18 Jun 2025 06:34:56 -0500
Subject: [PATCH 2328/2654] Prevent Adjoint Sources from Trending towards
 Infinity (#3449)

---
 include/openmc/constants.h            |  5 ++++
 src/random_ray/flat_source_domain.cpp | 43 +++++++++++++++++++++------
 2 files changed, 39 insertions(+), 9 deletions(-)

diff --git a/include/openmc/constants.h b/include/openmc/constants.h
index 252194528..ae7056079 100644
--- a/include/openmc/constants.h
+++ b/include/openmc/constants.h
@@ -63,6 +63,11 @@ constexpr int MAX_SAMPLE {100000};
 // source region in the random ray solver
 constexpr double MIN_HITS_PER_BATCH {1.5};
 
+// The minimum flux value to be considered non-zero when computing adjoint
+// sources. Positive values below this cutoff will be treated as zero, so as to
+// prevent extremely large adjoint source terms from being generated.
+constexpr double ZERO_FLUX_CUTOFF {1e-22};
+
 // ============================================================================
 // MATH AND PHYSICAL CONSTANTS
 
diff --git a/src/random_ray/flat_source_domain.cpp b/src/random_ray/flat_source_domain.cpp
index 9df6513ae..7404a0b29 100644
--- a/src/random_ray/flat_source_domain.cpp
+++ b/src/random_ray/flat_source_domain.cpp
@@ -304,6 +304,13 @@ int64_t FlatSourceDomain::add_source_to_scalar_flux()
           set_flux_to_source(sr, g);
         }
       }
+      // Halt if NaN implosion is detected
+      if (!std::isfinite(source_regions_.scalar_flux_new(sr, g))) {
+        fatal_error("A source region scalar flux is not finite. "
+                    "This indicates a numerical instability in the "
+                    "simulation. Consider increasing ray density or adjusting "
+                    "the source region mesh.");
+      }
     }
   }
 
@@ -1154,9 +1161,9 @@ void FlatSourceDomain::flatten_xs()
           m.get_xs(MgxsType::TOTAL, g_out, NULL, NULL, NULL, t, a);
         sigma_t_.push_back(sigma_t);
 
-        double nu_Sigma_f =
+        double nu_sigma_f =
           m.get_xs(MgxsType::NU_FISSION, g_out, NULL, NULL, NULL, t, a);
-        nu_sigma_f_.push_back(nu_Sigma_f);
+        nu_sigma_f_.push_back(nu_sigma_f);
 
         double sigma_f =
           m.get_xs(MgxsType::FISSION, g_out, NULL, NULL, NULL, t, a);
@@ -1164,6 +1171,11 @@ void FlatSourceDomain::flatten_xs()
 
         double chi =
           m.get_xs(MgxsType::CHI_PROMPT, g_out, &g_out, NULL, NULL, t, a);
+        if (!std::isfinite(chi)) {
+          // MGXS interface may return NaN in some cases, such as when material
+          // is fissionable but has very small sigma_f.
+          chi = 0.0;
+        }
         chi_.push_back(chi);
 
         for (int g_in = 0; g_in < negroups_; g_in++) {
@@ -1191,17 +1203,30 @@ void FlatSourceDomain::flatten_xs()
 
 void FlatSourceDomain::set_adjoint_sources(const vector<double>& forward_flux)
 {
-  // Set the external source to 1/forward_flux. If the forward flux is negative
-  // or zero, set the adjoint source to zero, as this is likely a very small
-  // source region that we don't need to bother trying to vector particles
-  // towards. Flux negativity in random ray is not related to the flux being
-  // small in magnitude, but rather due to the source region being physically
-  // small in volume and thus having a noisy flux estimate.
+  // Set the adjoint external source to 1/forward_flux. If the forward flux is
+  // negative, zero, or extremely close to zero, set the adjoint source to zero,
+  // as this is likely a very small source region that we don't need to bother
+  // trying to vector particles towards. In the case of flux "being extremely
+  // close to zero", we define this as being a fixed fraction of the maximum
+  // forward flux, below which we assume the flux would be physically
+  // undetectable.
+
+  // First, find the maximum forward flux value
+  double max_flux = 0.0;
+#pragma omp parallel for reduction(max : max_flux)
+  for (int64_t se = 0; se < n_source_elements(); se++) {
+    double flux = forward_flux[se];
+    if (flux > max_flux) {
+      max_flux = flux;
+    }
+  }
+
+  // Then, compute the adjoint source for each source region
 #pragma omp parallel for
   for (int64_t sr = 0; sr < n_source_regions(); sr++) {
     for (int g = 0; g < negroups_; g++) {
       double flux = forward_flux[sr * negroups_ + g];
-      if (flux <= 0.0) {
+      if (flux <= ZERO_FLUX_CUTOFF * max_flux) {
         source_regions_.external_source(sr, g) = 0.0;
       } else {
         source_regions_.external_source(sr, g) = 1.0 / flux;

From 1c5aa6559be235abeb1c7a4c5d596d5ec617947d Mon Sep 17 00:00:00 2001
From: GuySten <62616591+GuySten@users.noreply.github.com>
Date: Wed, 18 Jun 2025 18:10:03 +0300
Subject: [PATCH 2329/2654] fixing expansion of elemental Ta bug (#3443)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/data/data.py              | 2 +-
 openmc/element.py                | 9 +++++----
 tests/unit_tests/test_element.py | 7 +++++++
 3 files changed, 13 insertions(+), 5 deletions(-)

diff --git a/openmc/data/data.py b/openmc/data/data.py
index 408adf2e4..8ccc8d263 100644
--- a/openmc/data/data.py
+++ b/openmc/data/data.py
@@ -94,7 +94,7 @@ NATURAL_ABUNDANCE = {
     'Yb174': 0.32025, 'Yb176': 0.12995, 'Lu175': 0.97401,
     'Lu176': 0.02599, 'Hf174': 0.0016, 'Hf176': 0.0526,
     'Hf177': 0.186, 'Hf178': 0.2728, 'Hf179': 0.1362,
-    'Hf180': 0.3508, 'Ta180': 0.0001201, 'Ta181': 0.9998799,
+    'Hf180': 0.3508, 'Ta180_m1': 0.0001201, 'Ta181': 0.9998799,
     'W180': 0.0012, 'W182': 0.265, 'W183': 0.1431,
     'W184': 0.3064, 'W186': 0.2843, 'Re185': 0.374,
     'Re187': 0.626, 'Os184': 0.0002, 'Os186': 0.0159,
diff --git a/openmc/element.py b/openmc/element.py
index 082bee522..f1d8f5f24 100644
--- a/openmc/element.py
+++ b/openmc/element.py
@@ -144,8 +144,7 @@ class Element(str):
             root = tree.getroot()
             for child in root.findall('library'):
                 nuclide = child.attrib['materials']
-                if re.match(r'{}\d+'.format(self), nuclide) and \
-                   '_m' not in nuclide:
+                if re.match(r'{}\d+'.format(self), nuclide):
                     library_nuclides.add(nuclide)
 
             # Get a set of the mutual and absent nuclides. Convert to lists
@@ -185,8 +184,10 @@ class Element(str):
                 for nuclide in absent_nuclides:
                     if nuclide in ['O17', 'O18'] and 'O16' in mutual_nuclides:
                         abundances['O16'] += NATURAL_ABUNDANCE[nuclide]
-                    elif nuclide == 'Ta180' and 'Ta181' in mutual_nuclides:
-                        abundances['Ta181'] += NATURAL_ABUNDANCE[nuclide]
+                    elif nuclide == 'Ta180_m1' and 'Ta180' in library_nuclides:
+                            abundances['Ta180'] = NATURAL_ABUNDANCE[nuclide]
+                    elif nuclide == 'Ta180_m1' and 'Ta181' in mutual_nuclides:
+                            abundances['Ta181'] += NATURAL_ABUNDANCE[nuclide]
                     elif nuclide == 'W180' and 'W182' in mutual_nuclides:
                         abundances['W182'] += NATURAL_ABUNDANCE[nuclide]
                     else:
diff --git a/tests/unit_tests/test_element.py b/tests/unit_tests/test_element.py
index d3555701e..d91cfaf6e 100644
--- a/tests/unit_tests/test_element.py
+++ b/tests/unit_tests/test_element.py
@@ -44,6 +44,13 @@ def test_expand_no_isotopes():
         element.expand(100.0, 'ao')
 
 
+def test_expand_ta():
+    ref = {'Ta180': 0.01201, 'Ta181': 99.98799}
+    element = openmc.Element('Ta')
+    for isotope in element.expand(100.0, 'ao'):
+        assert isotope[1] == approx(ref[isotope[0]])
+    
+
 def test_expand_exceptions():
     """ Test that correct exceptions are raised for invalid input """
 

From 3e32aed2da312a04fb4db2c22648d66d78a0e745 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Wed, 18 Jun 2025 20:34:07 +0200
Subject: [PATCH 2330/2654] Fixing crash when calling Geometry.plot when
 DAGMCUniverse in geometry (#3455)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/dagmc.py                     | 11 +----------
 openmc/geometry.py                  | 15 ++++++++++++++-
 openmc/model/model.py               | 14 ++++++++++++++
 openmc/universe.py                  |  8 --------
 tests/unit_tests/dagmc/test_plot.py | 21 +++++++++++++++++++++
 5 files changed, 50 insertions(+), 19 deletions(-)

diff --git a/openmc/dagmc.py b/openmc/dagmc.py
index 3f20fb0ac..2486f7516 100644
--- a/openmc/dagmc.py
+++ b/openmc/dagmc.py
@@ -571,16 +571,7 @@ class DAGMCUniverse(openmc.UniverseBase):
     def plot(self, *args, **kwargs):
         """Display a slice plot of the DAGMCUniverse.
         """
-        model = openmc.Model()
-        model.geometry = openmc.Geometry(self)
-
-        for mat_name in self.material_names:
-            material = openmc.Material(name=mat_name)
-            # Placeholder nuclide to ensure material is not empty
-            material.add_nuclide('H1', 1.0)
-            model.materials.append(material)
-
-        return model.plot(*args, **kwargs)
+        return openmc.Geometry(self).plot(*args, **kwargs)
 
 
 class DAGMCCell(openmc.Cell):
diff --git a/openmc/geometry.py b/openmc/geometry.py
index c069d5796..9b2af7b4a 100644
--- a/openmc/geometry.py
+++ b/openmc/geometry.py
@@ -754,4 +754,17 @@ class Geometry:
 
         .. versionadded:: 0.14.0
         """
-        return self.root_universe.plot(*args, **kwargs)
+        model = openmc.Model()
+        model.geometry = self
+        model.materials = self.get_all_materials().values()
+
+        # Add placeholder materials for DAGMCUniverses
+        universes = self.get_all_universes()
+        for universe in universes.values():
+            if isinstance(universe, openmc.DAGMCUniverse):
+                for name in universe.material_names:
+                    mat_dag = openmc.Material(name=name)
+                    mat_dag.add_nuclide('H1', 1.0)
+                    model.materials.append(mat_dag)
+
+        return model.plot(*args, **kwargs)
diff --git a/openmc/model/model.py b/openmc/model/model.py
index 7e679d10a..55f309bfb 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -986,7 +986,16 @@ class Model:
         y_min = (origin[y] - 0.5*width[1]) * axis_scaling_factor[axis_units]
         y_max = (origin[y] + 0.5*width[1]) * axis_scaling_factor[axis_units]
 
+        # Determine whether any materials contains macroscopic data and if so,
+        # set energy mode accordingly
+        _energy_mode = self.settings._energy_mode
+        for mat in self.geometry.get_all_materials().values():
+            if mat._macroscopic is not None:
+                self.settings.energy_mode = 'multi-group'
+                break
+
         with TemporaryDirectory() as tmpdir:
+            _plot_seed = self.settings.plot_seed
             if seed is not None:
                 self.settings.plot_seed = seed
 
@@ -1007,6 +1016,11 @@ class Model:
             # Run OpenMC in geometry plotting mode
             self.plot_geometry(False, cwd=tmpdir, openmc_exec=openmc_exec)
 
+            # Undo changes to model
+            self.plots.pop()
+            self.settings._plot_seed = _plot_seed
+            self.settings._energy_mode = _energy_mode
+
             # Read image from file
             img_path = Path(tmpdir) / f'plot_{plot.id}.png'
             if not img_path.is_file():
diff --git a/openmc/universe.py b/openmc/universe.py
index 02b794dee..0e64693ba 100644
--- a/openmc/universe.py
+++ b/openmc/universe.py
@@ -337,14 +337,6 @@ class UniverseBase(ABC, IDManagerMixin):
         """
         model = openmc.Model()
         model.geometry = openmc.Geometry(self)
-
-        # Determine whether any materials contains macroscopic data and if
-        # so, set energy mode accordingly
-        for mat in self.get_all_materials().values():
-            if mat._macroscopic is not None:
-                model.settings.energy_mode = 'multi-group'
-                break
-
         return model.plot(*args, **kwargs)
 
     def get_nuclides(self):
diff --git a/tests/unit_tests/dagmc/test_plot.py b/tests/unit_tests/dagmc/test_plot.py
index d768ba508..afc2c395e 100644
--- a/tests/unit_tests/dagmc/test_plot.py
+++ b/tests/unit_tests/dagmc/test_plot.py
@@ -38,3 +38,24 @@ def test_plotting_dagmc_universe(request):
 
     dag_universe = openmc.DAGMCUniverse(request.path.parent / 'dagmc.h5m')
     dag_universe.plot()
+
+
+def test_plotting_geometry_filled_with_dagmc_universe(request):
+    """Test plotting a geometry with OpenMC. This is an edge case when plotting
+    geometry as often geometry objects don't include a DAGMCUniverse. The
+    inclusion of a DAGMCUniverse requires special handling for the materials."""
+
+    dag_universe = openmc.DAGMCUniverse(request.path.parent / 'dagmc.h5m', auto_geom_ids=True)
+
+    sphere1 = openmc.Sphere(r=50.0)
+    sphere2 = openmc.Sphere(r=60.0, boundary_type='vacuum')
+
+    # Adding a material to the CSG Universe to check all materials are accounted for
+    csg_material = openmc.Material(name='csg_material')
+    csg_material.add_nuclide("H1", 1.0)
+
+    cell1 = openmc.Cell(fill=dag_universe, region=-sphere1)
+    cell2 = openmc.Cell(fill=csg_material, region=+sphere1 & -sphere2)
+
+    geometry = openmc.Geometry([cell1, cell2])
+    geometry.plot()

From 3d16d4b1007fbee2f48e823d08f2ae0ab29aea73 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Thu, 19 Jun 2025 22:43:45 +0200
Subject: [PATCH 2331/2654] Adding checks to geometry.plot to avoid material
 name overlaps (#3458)

Co-authored-by: Patrick Shriwise <pshriwise@gmail.com>
---
 openmc/geometry.py                  | 30 +++++++++++++++++++++--------
 tests/unit_tests/dagmc/test_plot.py | 11 +++++++++--
 2 files changed, 31 insertions(+), 10 deletions(-)

diff --git a/openmc/geometry.py b/openmc/geometry.py
index 9b2af7b4a..f56b9b6fe 100644
--- a/openmc/geometry.py
+++ b/openmc/geometry.py
@@ -758,13 +758,27 @@ class Geometry:
         model.geometry = self
         model.materials = self.get_all_materials().values()
 
-        # Add placeholder materials for DAGMCUniverses
-        universes = self.get_all_universes()
-        for universe in universes.values():
-            if isinstance(universe, openmc.DAGMCUniverse):
-                for name in universe.material_names:
-                    mat_dag = openmc.Material(name=name)
-                    mat_dag.add_nuclide('H1', 1.0)
-                    model.materials.append(mat_dag)
+        # collect all the material names from the geometry
+        all_material_names = {m.name for m in model.materials if m.name is not None}
+
+        # makes a placeholder material for each material name if it isn't
+        # already present on the model. These materials are otherwise missing
+        # from the geometry and are needed for plotting.
+        for universe in model.geometry.get_all_universes().values():
+            if not isinstance(universe, openmc.DAGMCUniverse):
+                continue
+            for name in universe.material_names:
+                # if this name is already present in the model, skip it
+                # (this can happen if the same material name is used in multiple
+                # universes)
+                if name in all_material_names:
+                    continue
+                # if the material name is not present on the model,
+                # create a placeholder material with the same name
+                # and add it to the model
+                mat_dag = openmc.Material(name=name)
+                mat_dag.add_nuclide('H1', 1.0)
+                model.materials.append(mat_dag)
+                all_material_names.add(name)
 
         return model.plot(*args, **kwargs)
diff --git a/tests/unit_tests/dagmc/test_plot.py b/tests/unit_tests/dagmc/test_plot.py
index afc2c395e..62022b258 100644
--- a/tests/unit_tests/dagmc/test_plot.py
+++ b/tests/unit_tests/dagmc/test_plot.py
@@ -48,14 +48,21 @@ def test_plotting_geometry_filled_with_dagmc_universe(request):
     dag_universe = openmc.DAGMCUniverse(request.path.parent / 'dagmc.h5m', auto_geom_ids=True)
 
     sphere1 = openmc.Sphere(r=50.0)
-    sphere2 = openmc.Sphere(r=60.0, boundary_type='vacuum')
+    sphere2 = openmc.Sphere(r=60.0)
+    sphere2 = openmc.Sphere(r=70.0, boundary_type='vacuum')
 
-    # Adding a material to the CSG Universe to check all materials are accounted for
+    # Adding a material to the CSG Universe to check universe materials are accounted for
     csg_material = openmc.Material(name='csg_material')
     csg_material.add_nuclide("H1", 1.0)
 
+    # Adding a material with the same name as a dagmc material to check that
+    # the plot can handel two materials with the same name from different universes
+    csg_material = openmc.Material(name=dag_universe.material_names[0])
+    csg_material.add_nuclide("H1", 1.0)
+
     cell1 = openmc.Cell(fill=dag_universe, region=-sphere1)
     cell2 = openmc.Cell(fill=csg_material, region=+sphere1 & -sphere2)
 
     geometry = openmc.Geometry([cell1, cell2])
+
     geometry.plot()

From eaef13b9bc4606e9f70253b5a044064975d98b09 Mon Sep 17 00:00:00 2001
From: John Tramm <john.tramm@gmail.com>
Date: Mon, 23 Jun 2025 15:53:27 -0500
Subject: [PATCH 2332/2654] Weight Window Birth Scaling (#3459)

Co-authored-by: Copilot <175728472+Copilot@users.noreply.github.com>
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 include/openmc/particle_data.h |  5 +++++
 src/simulation.cpp             |  4 ++++
 src/weight_windows.cpp         | 16 ++++++++++++++++
 3 files changed, 25 insertions(+)

diff --git a/include/openmc/particle_data.h b/include/openmc/particle_data.h
index a07a99ffb..82b101c22 100644
--- a/include/openmc/particle_data.h
+++ b/include/openmc/particle_data.h
@@ -435,6 +435,7 @@ private:
 
   double wgt_ {1.0};
   double wgt_born_ {1.0};
+  double wgt_ww_born_ {-1.0};
   double mu_;
   double time_ {0.0};
   double time_last_ {0.0};
@@ -545,6 +546,10 @@ public:
   double& wgt_born() { return wgt_born_; }
   double wgt_born() const { return wgt_born_; }
 
+  // Weight window value at birth
+  double& wgt_ww_born() { return wgt_ww_born_; }
+  const double& wgt_ww_born() const { return wgt_ww_born_; }
+
   // Statistic weight of particle at last collision
   double& wgt_last() { return wgt_last_; }
   const double& wgt_last() const { return wgt_last_; }
diff --git a/src/simulation.cpp b/src/simulation.cpp
index e4521c06d..f8d4e5470 100644
--- a/src/simulation.cpp
+++ b/src/simulation.cpp
@@ -614,6 +614,10 @@ void initialize_history(Particle& p, int64_t index_source)
   // Set particle track.
   p.write_track() = check_track_criteria(p);
 
+  // Set the particle's initial weight window value.
+  p.wgt_ww_born() = -1.0;
+  apply_weight_windows(p);
+
   // Display message if high verbosity or trace is on
   if (settings::verbosity >= 9 || p.trace()) {
     write_message("Simulating Particle {}", p.id());
diff --git a/src/weight_windows.cpp b/src/weight_windows.cpp
index 0efa5a6ae..50f3fb2ed 100644
--- a/src/weight_windows.cpp
+++ b/src/weight_windows.cpp
@@ -73,10 +73,26 @@ void apply_weight_windows(Particle& p)
     if (weight_window.is_valid())
       break;
   }
+
+  // If particle has not yet had its birth weight window value set, set it to
+  // the current weight window (or 1.0 if not born in a weight window).
+  if (p.wgt_ww_born() == -1.0) {
+    if (weight_window.is_valid()) {
+      p.wgt_ww_born() =
+        (weight_window.lower_weight + weight_window.upper_weight) / 2;
+    } else {
+      p.wgt_ww_born() = 1.0;
+    }
+  }
+
   // particle is not in any of the ww domains, do nothing
   if (!weight_window.is_valid())
     return;
 
+  // Normalize weight windows based on particle's starting weight
+  // and the value of the weight window the particle was born in.
+  weight_window.scale(p.wgt_born() / p.wgt_ww_born());
+
   // get the paramters
   double weight = p.wgt();
 

From 7c6aaf7204163464d13e14a4547b48269a70c3d1 Mon Sep 17 00:00:00 2001
From: John Tramm <john.tramm@gmail.com>
Date: Mon, 23 Jun 2025 17:20:36 -0500
Subject: [PATCH 2333/2654] Fix Weight Window Infinite Loop Bug (#3457)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 include/openmc/particle_data.h |  2 +-
 src/particle.cpp               | 14 ++++++++++++++
 2 files changed, 15 insertions(+), 1 deletion(-)

diff --git a/include/openmc/particle_data.h b/include/openmc/particle_data.h
index 82b101c22..be7fa7483 100644
--- a/include/openmc/particle_data.h
+++ b/include/openmc/particle_data.h
@@ -47,7 +47,7 @@ struct SourceSite {
   double time {0.0};
   double wgt {1.0};
   int delayed_group {0};
-  int surf_id {0};
+  int surf_id {SURFACE_NONE};
   ParticleType particle;
 
   // Extra attributes that don't show up in source written to file
diff --git a/src/particle.cpp b/src/particle.cpp
index 324276d15..6cfdf2175 100644
--- a/src/particle.cpp
+++ b/src/particle.cpp
@@ -104,6 +104,14 @@ void Particle::split(double wgt)
   bank.u = u();
   bank.E = settings::run_CE ? E() : g();
   bank.time = time();
+
+  // Convert signed index to a singed surface ID
+  if (surface() == SURFACE_NONE) {
+    bank.surf_id = SURFACE_NONE;
+  } else {
+    int surf_id = model::surfaces[surface_index()]->id_;
+    bank.surf_id = (surface() > 0) ? surf_id : -surf_id;
+  }
 }
 
 void Particle::from_source(const SourceSite* src)
@@ -140,6 +148,12 @@ void Particle::from_source(const SourceSite* src)
   time() = src->time;
   time_last() = src->time;
   parent_nuclide() = src->parent_nuclide;
+
+  // Convert signed surface ID to signed index
+  if (src->surf_id != SURFACE_NONE) {
+    int index_plus_one = model::surface_map[std::abs(src->surf_id)] + 1;
+    surface() = (src->surf_id > 0) ? index_plus_one : -index_plus_one;
+  }
 }
 
 void Particle::event_calculate_xs()

From 3a8894c3f86a4e7c013eb5bd6e795aadead8ef7d Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 24 Jun 2025 04:29:16 -0500
Subject: [PATCH 2334/2654] Fix Dockerfile DAGMC build (#3463)

---
 Dockerfile | 1 +
 1 file changed, 1 insertion(+)

diff --git a/Dockerfile b/Dockerfile
index 9745f1512..a163a2810 100644
--- a/Dockerfile
+++ b/Dockerfile
@@ -96,6 +96,7 @@ RUN if [ "$build_dagmc" = "on" ]; then \
         # Install addition packages required for DAGMC
         apt-get -y install libeigen3-dev libnetcdf-dev libtbb-dev libglfw3-dev \
         && pip install --upgrade numpy \
+        && pip install --no-cache-dir setuptools cython \
         # Clone and install EMBREE
         && mkdir -p $HOME/EMBREE && cd $HOME/EMBREE \
         && git clone --single-branch -b ${EMBREE_TAG} --depth 1 ${EMBREE_REPO} \

From 2a0299aec7e83fd978cb584ba8051c7ec6fb8866 Mon Sep 17 00:00:00 2001
From: John Tramm <john.tramm@gmail.com>
Date: Tue, 24 Jun 2025 15:20:26 -0500
Subject: [PATCH 2335/2654] Limit Random Ray Weight Window Generation to Final
 Batch (#3464)

---
 src/simulation.cpp | 7 +++++--
 1 file changed, 5 insertions(+), 2 deletions(-)

diff --git a/src/simulation.cpp b/src/simulation.cpp
index f8d4e5470..d9a4fd131 100644
--- a/src/simulation.cpp
+++ b/src/simulation.cpp
@@ -400,8 +400,11 @@ void finalize_batch()
   simulation::time_tallies.stop();
 
   // update weight windows if needed
-  for (const auto& wwg : variance_reduction::weight_windows_generators) {
-    wwg->update();
+  if (settings::solver_type != SolverType::RANDOM_RAY ||
+      simulation::current_batch == settings::n_batches) {
+    for (const auto& wwg : variance_reduction::weight_windows_generators) {
+      wwg->update();
+    }
   }
 
   // Reset global tally results

From 15dfe7e8b96a762086a0f4cf3c90d7f2cc31e833 Mon Sep 17 00:00:00 2001
From: John Tramm <john.tramm@gmail.com>
Date: Wed, 25 Jun 2025 08:46:40 -0500
Subject: [PATCH 2336/2654] Parallelization of Weight Window Update (#3467)

---
 src/weight_windows.cpp | 189 ++++++++++++++++++++++++++---------------
 1 file changed, 120 insertions(+), 69 deletions(-)

diff --git a/src/weight_windows.cpp b/src/weight_windows.cpp
index 50f3fb2ed..26762ad18 100644
--- a/src/weight_windows.cpp
+++ b/src/weight_windows.cpp
@@ -6,11 +6,11 @@
 #include <set>
 #include <string>
 
+#include "xtensor/xdynamic_view.hpp"
 #include "xtensor/xindex_view.hpp"
 #include "xtensor/xio.hpp"
 #include "xtensor/xmasked_view.hpp"
 #include "xtensor/xnoalias.hpp"
-#include "xtensor/xstrided_view.hpp"
 #include "xtensor/xview.hpp"
 
 #include "openmc/error.h"
@@ -506,8 +506,18 @@ void WeightWindows::update_weights(const Tally* tally, const std::string& value,
   ///////////////////////////
   this->check_tally_update_compatibility(tally);
 
-  lower_ww_.fill(-1);
-  upper_ww_.fill(-1);
+  // Dimensions of weight window arrays
+  int e_bins = lower_ww_.shape()[0];
+  int64_t mesh_bins = lower_ww_.shape()[1];
+
+  // Initialize weight window arrays to -1.0 by default
+#pragma omp parallel for collapse(2) schedule(static)
+  for (int e = 0; e < e_bins; e++) {
+    for (int64_t m = 0; m < mesh_bins; m++) {
+      lower_ww_(e, m) = -1.0;
+      upper_ww_(e, m) = -1.0;
+    }
+  }
 
   // determine which value to use
   const std::set<std::string> allowed_values = {"mean", "rel_err"};
@@ -605,10 +615,12 @@ void WeightWindows::update_weights(const Tally* tally, const std::string& value,
   }
 
   // down-select data based on particle and score
-  auto sum = xt::view(transposed_view, particle_idx, xt::all(), xt::all(),
-    score_index, static_cast<int>(TallyResult::SUM));
-  auto sum_sq = xt::view(transposed_view, particle_idx, xt::all(), xt::all(),
-    score_index, static_cast<int>(TallyResult::SUM_SQ));
+  auto sum = xt::dynamic_view(
+    transposed_view, {particle_idx, xt::all(), xt::all(), score_index,
+                       static_cast<int>(TallyResult::SUM)});
+  auto sum_sq = xt::dynamic_view(
+    transposed_view, {particle_idx, xt::all(), xt::all(), score_index,
+                       static_cast<int>(TallyResult::SUM_SQ)});
   int n = tally->n_realizations_;
 
   //////////////////////////////////////////////
@@ -626,78 +638,117 @@ void WeightWindows::update_weights(const Tally* tally, const std::string& value,
   auto& new_bounds = this->lower_ww_;
   auto& rel_err = this->upper_ww_;
 
-  // noalias avoids memory allocation here
-  xt::noalias(new_bounds) = sum / n;
-
-  xt::noalias(rel_err) =
-    xt::sqrt(((sum_sq / n) - xt::square(new_bounds)) / (n - 1)) / new_bounds;
-  xt::filter(rel_err, sum <= 0.0).fill(INFTY);
-
-  if (value == "rel_err")
-    xt::noalias(new_bounds) = 1 / rel_err;
-
   // get mesh volumes
   auto mesh_vols = this->mesh()->volumes();
 
-  int e_bins = new_bounds.shape()[0];
-
-  if (method == WeightWindowUpdateMethod::MAGIC) {
-    // If we are computing weight windows with forward fluxes derived from a
-    // Monte Carlo or forward random ray solve, we use the MAGIC algorithm.
-    for (int e = 0; e < e_bins; e++) {
-      // select all
-      auto group_view = xt::view(new_bounds, e);
-
-      // divide by volume of mesh elements
-      for (int i = 0; i < group_view.size(); i++) {
-        group_view[i] /= mesh_vols[i];
+  // Calculate mean (new_bounds) and relative error
+#pragma omp parallel for collapse(2) schedule(static)
+  for (int e = 0; e < e_bins; e++) {
+    for (int64_t m = 0; m < mesh_bins; m++) {
+      // Calculate mean
+      new_bounds(e, m) = sum(e, m) / n;
+      // Calculate relative error
+      if (sum(e, m) > 0.0) {
+        double mean_val = new_bounds(e, m);
+        double variance = (sum_sq(e, m) / n - mean_val * mean_val) / (n - 1);
+        rel_err(e, m) = std::sqrt(variance) / mean_val;
+      } else {
+        rel_err(e, m) = INFTY;
       }
-
-      double group_max =
-        *std::max_element(group_view.begin(), group_view.end());
-      // normalize values in this energy group by the maximum value for this
-      // group
-      if (group_max > 0.0)
-        group_view /= 2.0 * group_max;
-    }
-  } else {
-    // If we are computing weight windows with adjoint fluxes derived from an
-    // adjoint random ray solve, we use the FW-CADIS algorithm.
-    for (int e = 0; e < e_bins; e++) {
-      // select all
-      auto group_view = xt::view(new_bounds, e);
-
-      // divide by volume of mesh elements
-      for (int i = 0; i < group_view.size(); i++) {
-        group_view[i] /= mesh_vols[i];
+      if (value == "rel_err") {
+        new_bounds(e, m) = 1.0 / rel_err(e, m);
       }
     }
-
-    // We take the inverse, but are careful not to divide by zero e.g. if some
-    // mesh bins are not reachable in the physical geometry.
-    xt::noalias(new_bounds) =
-      xt::where(xt::not_equal(new_bounds, 0.0), 1.0 / new_bounds, 0.0);
-    auto max_val = xt::amax(new_bounds)();
-    xt::noalias(new_bounds) = new_bounds / (2.0 * max_val);
-
-    // For bins that were missed, we use the minimum weight window value. This
-    // shouldn't matter except for plotting.
-    auto min_val = xt::amin(new_bounds)();
-    xt::noalias(new_bounds) =
-      xt::where(xt::not_equal(new_bounds, 0.0), new_bounds, min_val);
   }
 
-  // make sure that values where the mean is zero are set s.t. the weight window
-  // value will be ignored
-  xt::filter(new_bounds, sum <= 0.0).fill(-1.0);
+  // Divide by volume of mesh elements
+#pragma omp parallel for collapse(2) schedule(static)
+  for (int e = 0; e < e_bins; e++) {
+    for (int64_t m = 0; m < mesh_bins; m++) {
+      new_bounds(e, m) /= mesh_vols[m];
+    }
+  }
 
-  // make sure the weight windows are ignored for any locations where the
-  // relative error is higher than the specified relative error threshold
-  xt::filter(new_bounds, rel_err > threshold).fill(-1.0);
+  if (method == WeightWindowUpdateMethod::MAGIC) {
+    // For MAGIC, weight windows are proportional to the forward fluxes.
+    // We normalize weight windows independently for each energy group.
 
-  // update the bounds of this weight window class
-  // noalias avoids additional memory allocation
-  xt::noalias(upper_ww_) = ratio * lower_ww_;
+    // Find group maximum and normalize (per energy group)
+    for (int e = 0; e < e_bins; e++) {
+      double group_max = 0.0;
+
+      // Find maximum value across all elements in this energy group
+#pragma omp parallel for schedule(static) reduction(max : group_max)
+      for (int64_t m = 0; m < mesh_bins; m++) {
+        if (new_bounds(e, m) > group_max) {
+          group_max = new_bounds(e, m);
+        }
+      }
+
+      // Normalize values in this energy group by the maximum value
+      if (group_max > 0.0) {
+        double norm_factor = 1.0 / (2.0 * group_max);
+#pragma omp parallel for schedule(static)
+        for (int64_t m = 0; m < mesh_bins; m++) {
+          new_bounds(e, m) *= norm_factor;
+        }
+      }
+    }
+  } else {
+    // For FW-CADIS, weight windows are inversely proportional to the adjoint
+    // fluxes. We normalize the weight windows across all energy groups.
+#pragma omp parallel for collapse(2) schedule(static)
+    for (int e = 0; e < e_bins; e++) {
+      for (int64_t m = 0; m < mesh_bins; m++) {
+        // Take the inverse, but are careful not to divide by zero
+        if (new_bounds(e, m) != 0.0) {
+          new_bounds(e, m) = 1.0 / new_bounds(e, m);
+        } else {
+          new_bounds(e, m) = 0.0;
+        }
+      }
+    }
+
+    // Find the maximum value across all elements
+    double max_val = 0.0;
+#pragma omp parallel for collapse(2) schedule(static) reduction(max : max_val)
+    for (int e = 0; e < e_bins; e++) {
+      for (int64_t m = 0; m < mesh_bins; m++) {
+        if (new_bounds(e, m) > max_val) {
+          max_val = new_bounds(e, m);
+        }
+      }
+    }
+
+    // Parallel normalization
+    if (max_val > 0.0) {
+      double norm_factor = 1.0 / (2.0 * max_val);
+#pragma omp parallel for collapse(2) schedule(static)
+      for (int e = 0; e < e_bins; e++) {
+        for (int64_t m = 0; m < mesh_bins; m++) {
+          new_bounds(e, m) *= norm_factor;
+        }
+      }
+    }
+  }
+
+  // Final processing
+#pragma omp parallel for collapse(2) schedule(static)
+  for (int e = 0; e < e_bins; e++) {
+    for (int64_t m = 0; m < mesh_bins; m++) {
+      // Values where the mean is zero should be ignored
+      if (sum(e, m) <= 0.0) {
+        new_bounds(e, m) = -1.0;
+      }
+      // Values where the relative error is higher than the threshold should be
+      // ignored
+      else if (rel_err(e, m) > threshold) {
+        new_bounds(e, m) = -1.0;
+      }
+      // Set the upper bounds
+      upper_ww_(e, m) = ratio * lower_ww_(e, m);
+    }
+  }
 }
 
 void WeightWindows::check_tally_update_compatibility(const Tally* tally)

From a6db05ac8b5f250e41d858d1f803fae811bf125f Mon Sep 17 00:00:00 2001
From: John Tramm <john.tramm@gmail.com>
Date: Wed, 25 Jun 2025 08:47:23 -0500
Subject: [PATCH 2337/2654] Optimize Mapping of Random Ray Source Regions to
 Tallies (#3465)

---
 .../openmc/random_ray/flat_source_domain.h    |  2 +-
 src/random_ray/flat_source_domain.cpp         | 19 +++++++++++++------
 src/random_ray/random_ray_simulation.cpp      |  5 +++--
 src/random_ray/source_region.cpp              |  8 --------
 4 files changed, 17 insertions(+), 17 deletions(-)

diff --git a/include/openmc/random_ray/flat_source_domain.h b/include/openmc/random_ray/flat_source_domain.h
index 9fdd55875..78351fcc5 100644
--- a/include/openmc/random_ray/flat_source_domain.h
+++ b/include/openmc/random_ray/flat_source_domain.h
@@ -34,7 +34,7 @@ public:
 
   int64_t add_source_to_scalar_flux();
   virtual void batch_reset();
-  void convert_source_regions_to_tallies();
+  void convert_source_regions_to_tallies(int64_t start_sr_id);
   void reset_tally_volumes();
   void random_ray_tally();
   virtual void accumulate_iteration_flux();
diff --git a/src/random_ray/flat_source_domain.cpp b/src/random_ray/flat_source_domain.cpp
index 7404a0b29..41e93ec94 100644
--- a/src/random_ray/flat_source_domain.cpp
+++ b/src/random_ray/flat_source_domain.cpp
@@ -421,7 +421,12 @@ double FlatSourceDomain::compute_k_eff(double k_eff_old) const
 // be passed back to the caller to alert them that this function doesn't
 // need to be called for the remainder of the simulation.
 
-void FlatSourceDomain::convert_source_regions_to_tallies()
+// It takes as an argument the starting index in the source region array,
+// and it will operate from that index until the end of the array. This
+// is useful as it can be called for both explicit user source regions or
+// when a source region mesh is overlaid.
+
+void FlatSourceDomain::convert_source_regions_to_tallies(int64_t start_sr_id)
 {
   openmc::simulation::time_tallies.start();
 
@@ -430,7 +435,7 @@ void FlatSourceDomain::convert_source_regions_to_tallies()
 
 // Attempt to generate mapping for all source regions
 #pragma omp parallel for
-  for (int64_t sr = 0; sr < n_source_regions(); sr++) {
+  for (int64_t sr = start_sr_id; sr < n_source_regions(); sr++) {
 
     // If this source region has not been hit by a ray yet, then
     // we aren't going to be able to map it, so skip it.
@@ -468,7 +473,7 @@ void FlatSourceDomain::convert_source_regions_to_tallies()
       // Loop over all active tallies. This logic is essentially identical
       // to what happens when scanning for applicable tallies during
       // MC transport.
-      for (auto i_tally : model::active_tallies) {
+      for (int i_tally = 0; i_tally < model::tallies.size(); i_tally++) {
         Tally& tally {*model::tallies[i_tally]};
 
         // Initialize an iterator over valid filter bin combinations.
@@ -1525,6 +1530,9 @@ void FlatSourceDomain::finalize_discovered_source_regions()
     // order due to shared memory threading.
     std::sort(keys.begin(), keys.end());
 
+    // Remember the index of the first new source region
+    int64_t start_sr_id = source_regions_.n_source_regions();
+
     // Append the source regions in the sorted key order.
     for (const auto& key : keys) {
       const SourceRegion& sr = discovered_source_regions_[key];
@@ -1532,9 +1540,8 @@ void FlatSourceDomain::finalize_discovered_source_regions()
       source_regions_.push_back(sr);
     }
 
-    // If any new source regions were discovered, we need to update the
-    // tally mapping between source regions and tally bins.
-    mapped_all_tallies_ = false;
+    // Map all new source regions to tallies
+    convert_source_regions_to_tallies(start_sr_id);
   }
 
   discovered_source_regions_.clear();
diff --git a/src/random_ray/random_ray_simulation.cpp b/src/random_ray/random_ray_simulation.cpp
index 40a08c3af..388a778b8 100644
--- a/src/random_ray/random_ray_simulation.cpp
+++ b/src/random_ray/random_ray_simulation.cpp
@@ -508,8 +508,9 @@ void RandomRaySimulation::simulate()
         domain_->accumulate_iteration_flux();
 
         // Generate mapping between source regions and tallies
-        if (!domain_->mapped_all_tallies_) {
-          domain_->convert_source_regions_to_tallies();
+        if (!domain_->mapped_all_tallies_ &&
+            !RandomRay::mesh_subdivision_enabled_) {
+          domain_->convert_source_regions_to_tallies(0);
         }
 
         // Use above mapping to contribute FSR flux data to appropriate
diff --git a/src/random_ray/source_region.cpp b/src/random_ray/source_region.cpp
index 69541f7f8..1205b995a 100644
--- a/src/random_ray/source_region.cpp
+++ b/src/random_ray/source_region.cpp
@@ -259,15 +259,11 @@ void SourceRegionContainer::adjoint_reset()
     MomentMatrix {0.0, 0.0, 0.0, 0.0, 0.0, 0.0});
   std::fill(mom_matrix_t_.begin(), mom_matrix_t_.end(),
     MomentMatrix {0.0, 0.0, 0.0, 0.0, 0.0, 0.0});
-  for (auto& task_set : volume_task_) {
-    task_set.clear();
-  }
   std::fill(scalar_flux_old_.begin(), scalar_flux_old_.end(), 0.0);
   std::fill(scalar_flux_new_.begin(), scalar_flux_new_.end(), 0.0);
   std::fill(scalar_flux_final_.begin(), scalar_flux_final_.end(), 0.0);
   std::fill(source_.begin(), source_.end(), 0.0f);
   std::fill(external_source_.begin(), external_source_.end(), 0.0f);
-
   std::fill(source_gradients_.begin(), source_gradients_.end(),
     MomentArray {0.0, 0.0, 0.0});
   std::fill(flux_moments_old_.begin(), flux_moments_old_.end(),
@@ -276,10 +272,6 @@ void SourceRegionContainer::adjoint_reset()
     MomentArray {0.0, 0.0, 0.0});
   std::fill(flux_moments_t_.begin(), flux_moments_t_.end(),
     MomentArray {0.0, 0.0, 0.0});
-
-  for (auto& task_set : tally_task_) {
-    task_set.clear();
-  }
 }
 
 } // namespace openmc

From 01fa8056d130d0f0271d4c5c25867dae5f91b3c1 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 25 Jun 2025 13:44:53 -0500
Subject: [PATCH 2338/2654] Introduce WeightWindowsList class that enables
 export to HDF5 (#3456)

---
 docs/source/pythonapi/base.rst                |   9 +-
 docs/source/usersguide/variance_reduction.rst |   2 +-
 openmc/settings.py                            |  14 +-
 openmc/weight_windows.py                      | 495 +++++++++++-------
 .../weightwindows/inputs_true.dat             |   4 +-
 .../unit_tests/weightwindows/test_ww_list.py  |  23 +
 6 files changed, 337 insertions(+), 210 deletions(-)
 create mode 100644 tests/unit_tests/weightwindows/test_ww_list.py

diff --git a/docs/source/pythonapi/base.rst b/docs/source/pythonapi/base.rst
index d0e7d2439..2a9d0876c 100644
--- a/docs/source/pythonapi/base.rst
+++ b/docs/source/pythonapi/base.rst
@@ -37,7 +37,6 @@ Simulation Settings
 
    openmc.read_source_file
    openmc.write_source_file
-   openmc.wwinp_to_wws
 
 Material Specification
 ----------------------
@@ -259,8 +258,16 @@ Variance Reduction
    :template: myclass
 
    openmc.WeightWindows
+   openmc.WeightWindowsList
    openmc.WeightWindowGenerator
+
+.. autosummary::
+   :toctree: generated
+   :nosignatures:
+   :template: myfunction.rst
+
    openmc.hdf5_to_wws
+   openmc.wwinp_to_wws
 
 
 Coarse Mesh Finite Difference Acceleration
diff --git a/docs/source/usersguide/variance_reduction.rst b/docs/source/usersguide/variance_reduction.rst
index 3256fa35f..369e33e2d 100644
--- a/docs/source/usersguide/variance_reduction.rst
+++ b/docs/source/usersguide/variance_reduction.rst
@@ -162,7 +162,7 @@ solver, the Python input just needs to load the h5 file::
 
     settings.weight_window_checkpoints = {'collision': True, 'surface': True}
     settings.survival_biasing = False
-    settings.weight_windows = openmc.hdf5_to_wws('weight_windows.h5')
+    settings.weight_windows = openmc.WeightWindowsList.from_hdf5('weight_windows.h5')
     settings.weight_windows_on = True
 
 The :class:`~openmc.WeightWindowGenerator` instance is not needed to load an
diff --git a/openmc/settings.py b/openmc/settings.py
index bd3a89e11..36eaec6cb 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -16,7 +16,7 @@ from .mesh import _read_meshes, RegularMesh, MeshBase
 from .source import SourceBase, MeshSource, IndependentSource
 from .utility_funcs import input_path
 from .volume import VolumeCalculation
-from .weight_windows import WeightWindows, WeightWindowGenerator
+from .weight_windows import WeightWindows, WeightWindowGenerator, WeightWindowsList
 
 
 class RunMode(Enum):
@@ -313,7 +313,7 @@ class Settings:
         described in :ref:`verbosity`.
     volume_calculations : VolumeCalculation or iterable of VolumeCalculation
         Stochastic volume calculation specifications
-    weight_windows : WeightWindows or iterable of WeightWindows
+    weight_windows : WeightWindowsList
         Weight windows to use for variance reduction
 
         .. versionadded:: 0.13
@@ -424,7 +424,7 @@ class Settings:
         self._max_particles_in_flight = None
         self._max_particle_events = None
         self._write_initial_source = None
-        self._weight_windows = cv.CheckedList(WeightWindows, 'weight windows')
+        self._weight_windows = WeightWindowsList()
         self._weight_window_generators = cv.CheckedList(WeightWindowGenerator, 'weight window generators')
         self._weight_windows_on = None
         self._weight_windows_file = None
@@ -1095,14 +1095,14 @@ class Settings:
         self._write_initial_source = value
 
     @property
-    def weight_windows(self) -> list[WeightWindows]:
+    def weight_windows(self) -> WeightWindowsList:
         return self._weight_windows
 
     @weight_windows.setter
-    def weight_windows(self, value: WeightWindows | Iterable[WeightWindows]):
-        if not isinstance(value, MutableSequence):
+    def weight_windows(self, value: WeightWindows | Sequence[WeightWindows]):
+        if not isinstance(value, Sequence):
             value = [value]
-        self._weight_windows = cv.CheckedList(WeightWindows, 'weight windows', value)
+        self._weight_windows = WeightWindowsList(value)
 
     @property
     def weight_windows_on(self) -> bool:
diff --git a/openmc/weight_windows.py b/openmc/weight_windows.py
index d52b81925..1b44747d5 100644
--- a/openmc/weight_windows.py
+++ b/openmc/weight_windows.py
@@ -1,6 +1,8 @@
 from __future__ import annotations
 from numbers import Real, Integral
 from collections.abc import Iterable, Sequence
+from pathlib import Path
+from typing import Self
 import warnings
 
 import lxml.etree as ET
@@ -14,6 +16,7 @@ import openmc.checkvalue as cv
 from openmc.checkvalue import PathLike
 from ._xml import get_text, clean_indentation
 from .mixin import IDManagerMixin
+from .utility_funcs import change_directory
 
 
 class WeightWindows(IDManagerMixin):
@@ -90,7 +93,7 @@ class WeightWindows(IDManagerMixin):
     survival_ratio : float
         Ratio of the survival weight to the lower weight window bound for
         rouletting
-    max_lower_bound_ratio: float
+    max_lower_bound_ratio : float
         Maximum allowed ratio of a particle's weight to the weight window's
         lower bound. (Default: 1.0)
     max_split : int
@@ -114,7 +117,7 @@ class WeightWindows(IDManagerMixin):
         upper_bound_ratio: float | None = None,
         energy_bounds: Iterable[Real] | None = None,
         particle_type: str = 'neutron',
-        survival_ratio: float = 3,
+        survival_ratio: float = 3.0,
         max_lower_bound_ratio: float | None = None,
         max_split: int = 10,
         weight_cutoff: float = 1.e-38,
@@ -354,7 +357,7 @@ class WeightWindows(IDManagerMixin):
         return element
 
     @classmethod
-    def from_xml_element(cls, elem: ET.Element, meshes: dict[int, MeshBase]) -> WeightWindows:
+    def from_xml_element(cls, elem: ET.Element, meshes: dict[int, MeshBase]) -> Self:
         """Generate weight window settings from an XML element
 
         Parameters
@@ -408,7 +411,7 @@ class WeightWindows(IDManagerMixin):
         )
 
     @classmethod
-    def from_hdf5(cls, group: h5py.Group, meshes: dict[int, MeshBase]) -> WeightWindows:
+    def from_hdf5(cls, group: h5py.Group, meshes: dict[int, MeshBase]) -> Self:
         """Create weight windows from HDF5 group
 
         Parameters
@@ -458,7 +461,7 @@ class WeightWindows(IDManagerMixin):
         )
 
 
-def wwinp_to_wws(path: PathLike) -> list[WeightWindows]:
+def wwinp_to_wws(path: PathLike) -> WeightWindowsList:
     """Create WeightWindows instances from a wwinp file
 
     .. versionadded:: 0.13.1
@@ -470,190 +473,13 @@ def wwinp_to_wws(path: PathLike) -> list[WeightWindows]:
 
     Returns
     -------
-    list of openmc.WeightWindows
+    WeightWindowsList
     """
-
-    with open(path) as wwinp:
-        # BLOCK 1
-        header = wwinp.readline().split(None, 4)
-        # read file type, time-dependence, number of
-        # particles, mesh type and problem identifier
-        _if, iv, ni, nr = [int(x) for x in header[:4]]
-
-        # header value checks
-        if _if != 1:
-            raise ValueError(f'Found incorrect file type, if: {_if}')
-
-        if iv > 1:
-            # read number of time bins for each particle, 'nt(1...ni)'
-            nt = np.fromstring(wwinp.readline(), sep=' ', dtype=int)
-
-            # raise error if time bins are present for now
-            raise ValueError('Time-dependent weight windows '
-                             'are not yet supported')
-        else:
-            nt = ni * [1]
-
-        # read number of energy bins for each particle, 'ne(1...ni)'
-        ne = np.fromstring(wwinp.readline(), sep=' ', dtype=int)
-
-        # read coarse mesh dimensions and lower left corner
-        mesh_description = np.fromstring(wwinp.readline(), sep=' ')
-        nfx, nfy, nfz = mesh_description[:3].astype(int)
-        xyz0 = mesh_description[3:]
-
-        # read cylindrical and spherical mesh vectors if present
-        if nr == 16:
-            # read number of coarse bins
-            line_arr = np.fromstring(wwinp.readline(), sep=' ')
-            ncx, ncy, ncz = line_arr[:3].astype(int)
-            # read polar vector (x1, y1, z1)
-            xyz1 = line_arr[3:]
-            # read azimuthal vector (x2, y2, z2)
-            line_arr = np.fromstring(wwinp.readline(), sep=' ')
-            xyz2 = line_arr[:3]
-
-            # Get polar and azimuthal axes
-            polar_axis = xyz1 - xyz0
-            azimuthal_axis = xyz2 - xyz0
-
-            # Check for polar axis other than (0, 0, 1)
-            norm = np.linalg.norm(polar_axis)
-            if not np.isclose(polar_axis[2]/norm, 1.0):
-                raise NotImplementedError('Polar axis not aligned to z-axis not supported')
-
-            # Check for azimuthal axis other than (1, 0, 0)
-            norm = np.linalg.norm(azimuthal_axis)
-            if not np.isclose(azimuthal_axis[0]/norm, 1.0):
-                raise NotImplementedError('Azimuthal axis not aligned to x-axis not supported')
-
-            # read geometry type
-            nwg = int(line_arr[-1])
-
-        elif nr == 10:
-            # read rectilinear data:
-            # number of coarse mesh bins and mesh type
-            ncx, ncy, ncz, nwg = \
-                np.fromstring(wwinp.readline(), sep=' ').astype(int)
-        else:
-            raise RuntimeError(f'Invalid mesh description (nr) found: {nr}')
-
-        # read BLOCK 2 and BLOCK 3 data into a single array
-        ww_data = np.fromstring(wwinp.read(), sep=' ')
-
-    # extract mesh data from the ww_data array
-    start_idx = 0
-
-    # first values in the mesh definition arrays are the first
-    # coordinate of the grid
-    end_idx = start_idx + 1 + 3 * ncx
-    i0, i_vals = ww_data[start_idx], ww_data[start_idx+1:end_idx]
-    start_idx = end_idx
-
-    end_idx = start_idx + 1 + 3 * ncy
-    j0, j_vals = ww_data[start_idx], ww_data[start_idx+1:end_idx]
-    start_idx = end_idx
-
-    end_idx = start_idx + 1 + 3 * ncz
-    k0, k_vals = ww_data[start_idx], ww_data[start_idx+1:end_idx]
-    start_idx = end_idx
-
-    # mesh consistency checks
-    if nr == 16 and nwg == 1 or nr == 10 and nwg != 1:
-        raise ValueError(f'Mesh description in header ({nr}) '
-                         f'does not match the mesh type ({nwg})')
-
-    if nr == 10 and (xyz0 != (i0, j0, k0)).any():
-        raise ValueError(f'Mesh origin in the header ({xyz0}) '
-                         f' does not match the origin in the mesh '
-                         f' description ({i0, j0, k0})')
-
-    # create openmc mesh object
-    grids = []
-    mesh_definition = [(i0, i_vals, nfx), (j0, j_vals, nfy), (k0, k_vals, nfz)]
-    for grid0, grid_vals, n_pnts in mesh_definition:
-        # file spec checks for the mesh definition
-        if (grid_vals[2::3] != 1.0).any():
-            raise ValueError('One or more mesh ratio value, qx, '
-                             'is not equal to one')
-
-        s = int(grid_vals[::3].sum())
-        if s != n_pnts:
-            raise ValueError(f'Sum of the fine bin entries, {s}, does '
-                             f'not match the number of fine bins, {n_pnts}')
-
-        # extend the grid based on the next coarse bin endpoint, px
-        # and the number of fine bins in the coarse bin, sx
-        intervals = grid_vals.reshape(-1, 3)
-        coords = [grid0]
-        for sx, px, qx in intervals:
-            coords += np.linspace(coords[-1], px, int(sx + 1)).tolist()[1:]
-
-        grids.append(np.array(coords))
-
-    if nwg == 1:
-        mesh = RectilinearMesh()
-        mesh.x_grid, mesh.y_grid, mesh.z_grid = grids
-    elif nwg == 2:
-        mesh = CylindricalMesh(
-            r_grid=grids[0],
-            z_grid=grids[1],
-            phi_grid=grids[2],
-            origin = xyz0,
-        )
-    elif nwg == 3:
-        mesh = SphericalMesh(
-            r_grid=grids[0],
-            theta_grid=grids[1],
-            phi_grid=grids[2],
-            origin = xyz0
-        )
-
-    # extract weight window values from array
-    wws = []
-    for ne_i, nt_i, particle_type in zip(ne, nt, ('neutron', 'photon')):
-        # no information to read for this particle if
-        # either the energy bins or time bins are empty
-        if ne_i == 0 or nt_i == 0:
-            continue
-
-        if iv > 1:
-            # time bins are parsed but unused for now
-            end_idx = start_idx + nt_i
-            time_bounds = ww_data[start_idx:end_idx]
-            np.insert(time_bounds, (0,), (0.0,))
-            start_idx = end_idx
-
-        # read energy boundaries
-        end_idx = start_idx + ne_i
-        energy_bounds = np.insert(ww_data[start_idx:end_idx], (0,), (0.0,))
-        # convert from MeV to eV
-        energy_bounds *= 1e6
-        start_idx = end_idx
-
-        # read weight window values
-        end_idx = start_idx + (nfx * nfy * nfz) * nt_i * ne_i
-
-        # read values and reshape according to ordering
-        # slowest to fastest: t, e, z, y, x
-        # reorder with transpose since our ordering is x, y, z, e, t
-        ww_shape = (nt_i, ne_i, nfz, nfy, nfx)
-        ww_values = ww_data[start_idx:end_idx].reshape(ww_shape).T
-        # Only use first time bin since we don't support time dependent weight
-        # windows yet.
-        ww_values = ww_values[:, :, :, :, 0]
-        start_idx = end_idx
-
-        # create a weight window object
-        ww = WeightWindows(id=None,
-                           mesh=mesh,
-                           lower_ww_bounds=ww_values,
-                           upper_bound_ratio=5.0,
-                           energy_bounds=energy_bounds,
-                           particle_type=particle_type)
-        wws.append(ww)
-
-    return wws
+    warnings.warn(
+        "This function is deprecated in favor of 'WeightWindowsList.from_wwinp'",
+        FutureWarning
+    )
+    return WeightWindowsList.from_wwinp(path)
 
 
 class WeightWindowGenerator:
@@ -886,7 +712,7 @@ class WeightWindowGenerator:
         return element
 
     @classmethod
-    def from_xml_element(cls, elem: ET.Element, meshes: dict) -> WeightWindowGenerator:
+    def from_xml_element(cls, elem: ET.Element, meshes: dict) -> Self:
         """
         Create a weight window generation object from an XML element
 
@@ -929,8 +755,8 @@ class WeightWindowGenerator:
 
         return wwg
 
-def hdf5_to_wws(path='weight_windows.h5'):
-    """Create WeightWindows instances from a weight windows HDF5 file
+def hdf5_to_wws(path='weight_windows.h5') -> WeightWindowsList:
+    """Create a WeightWindowsList from a weight windows HDF5 file
 
     .. versionadded:: 0.14.0
 
@@ -941,13 +767,284 @@ def hdf5_to_wws(path='weight_windows.h5'):
 
     Returns
     -------
-    list of openmc.WeightWindows
+    WeightWindowsList
     """
+    warnings.warn(
+        "This function is deprecated in favor of 'WeightWindowsList.from_hdf5'",
+        FutureWarning
+    )
+    return WeightWindowsList.from_hdf5(path)
 
-    with h5py.File(path) as h5_file:
-        # read in all of the meshes in the mesh node
-        meshes = {}
-        for mesh_group in h5_file['meshes']:
-            mesh = MeshBase.from_hdf5(h5_file['meshes'][mesh_group])
-            meshes[mesh.id] = mesh
-        return [WeightWindows.from_hdf5(ww, meshes) for ww in h5_file['weight_windows'].values()]
+
+class WeightWindowsList(list):
+    """A list of WeightWindows objects.
+
+    .. versionadded:: 0.15.3
+
+    Parameters
+    ----------
+    iterable : iterable of openmc.WeightWindows
+        An iterable of WeightWindows objects to initialize the list with
+
+    """
+    def __init__(self, iterable: Iterable[WeightWindows] = ()):
+        super().__init__(iterable)
+
+    @classmethod
+    def from_hdf5(cls, path: PathLike = 'weight_windows.h5') -> Self:
+        """Create WeightWindowsList from a weight windows HDF5 file.
+
+        Parameters
+        ----------
+        path : PathLike
+            Path to the weight windows hdf5 file
+
+        Returns
+        -------
+        WeightWindowsList
+            A list of WeightWindows objects read from the file
+        """
+
+        with h5py.File(path) as h5_file:
+            # read in all of the meshes in the mesh node
+            meshes = {}
+            for mesh_group in h5_file['meshes']:
+                mesh = MeshBase.from_hdf5(h5_file['meshes'][mesh_group])
+                meshes[mesh.id] = mesh
+            wws = [
+                WeightWindows.from_hdf5(ww, meshes)
+                for ww in h5_file['weight_windows'].values()
+            ]
+
+        return cls(wws)
+
+    @classmethod
+    def from_wwinp(cls, path: PathLike) -> Self:
+        """Create WeightWindowsList from a wwinp file.
+
+        Parameters
+        ----------
+        path : PathLike
+            Path to the wwinp file
+
+        Returns
+        -------
+        WeightWindowsList
+            A list of WeightWindows objects read from the file
+        """
+
+        with open(path) as wwinp:
+            # BLOCK 1
+            header = wwinp.readline().split(None, 4)
+            # read file type, time-dependence, number of
+            # particles, mesh type and problem identifier
+            _if, iv, ni, nr = [int(x) for x in header[:4]]
+
+            # header value checks
+            if _if != 1:
+                raise ValueError(f'Found incorrect file type, if: {_if}')
+
+            if iv > 1:
+                # read number of time bins for each particle, 'nt(1...ni)'
+                nt = np.fromstring(wwinp.readline(), sep=' ', dtype=int)
+
+                # raise error if time bins are present for now
+                raise ValueError('Time-dependent weight windows '
+                                'are not yet supported')
+            else:
+                nt = ni * [1]
+
+            # read number of energy bins for each particle, 'ne(1...ni)'
+            ne = np.fromstring(wwinp.readline(), sep=' ', dtype=int)
+
+            # read coarse mesh dimensions and lower left corner
+            mesh_description = np.fromstring(wwinp.readline(), sep=' ')
+            nfx, nfy, nfz = mesh_description[:3].astype(int)
+            xyz0 = mesh_description[3:]
+
+            # read cylindrical and spherical mesh vectors if present
+            if nr == 16:
+                # read number of coarse bins
+                line_arr = np.fromstring(wwinp.readline(), sep=' ')
+                ncx, ncy, ncz = line_arr[:3].astype(int)
+                # read polar vector (x1, y1, z1)
+                xyz1 = line_arr[3:]
+                # read azimuthal vector (x2, y2, z2)
+                line_arr = np.fromstring(wwinp.readline(), sep=' ')
+                xyz2 = line_arr[:3]
+
+                # Get polar and azimuthal axes
+                polar_axis = xyz1 - xyz0
+                azimuthal_axis = xyz2 - xyz0
+
+                # Check for polar axis other than (0, 0, 1)
+                norm = np.linalg.norm(polar_axis)
+                if not np.isclose(polar_axis[2]/norm, 1.0):
+                    raise NotImplementedError('Polar axis not aligned to z-axis not supported')
+
+                # Check for azimuthal axis other than (1, 0, 0)
+                norm = np.linalg.norm(azimuthal_axis)
+                if not np.isclose(azimuthal_axis[0]/norm, 1.0):
+                    raise NotImplementedError('Azimuthal axis not aligned to x-axis not supported')
+
+                # read geometry type
+                nwg = int(line_arr[-1])
+
+            elif nr == 10:
+                # read rectilinear data:
+                # number of coarse mesh bins and mesh type
+                ncx, ncy, ncz, nwg = \
+                    np.fromstring(wwinp.readline(), sep=' ').astype(int)
+            else:
+                raise RuntimeError(f'Invalid mesh description (nr) found: {nr}')
+
+            # read BLOCK 2 and BLOCK 3 data into a single array
+            ww_data = np.fromstring(wwinp.read(), sep=' ')
+
+        # extract mesh data from the ww_data array
+        start_idx = 0
+
+        # first values in the mesh definition arrays are the first
+        # coordinate of the grid
+        end_idx = start_idx + 1 + 3 * ncx
+        i0, i_vals = ww_data[start_idx], ww_data[start_idx+1:end_idx]
+        start_idx = end_idx
+
+        end_idx = start_idx + 1 + 3 * ncy
+        j0, j_vals = ww_data[start_idx], ww_data[start_idx+1:end_idx]
+        start_idx = end_idx
+
+        end_idx = start_idx + 1 + 3 * ncz
+        k0, k_vals = ww_data[start_idx], ww_data[start_idx+1:end_idx]
+        start_idx = end_idx
+
+        # mesh consistency checks
+        if nr == 16 and nwg == 1 or nr == 10 and nwg != 1:
+            raise ValueError(f'Mesh description in header ({nr}) '
+                            f'does not match the mesh type ({nwg})')
+
+        if nr == 10 and (xyz0 != (i0, j0, k0)).any():
+            raise ValueError(f'Mesh origin in the header ({xyz0}) '
+                            f' does not match the origin in the mesh '
+                            f' description ({i0, j0, k0})')
+
+        # create openmc mesh object
+        grids = []
+        mesh_definition = [(i0, i_vals, nfx), (j0, j_vals, nfy), (k0, k_vals, nfz)]
+        for grid0, grid_vals, n_pnts in mesh_definition:
+            # file spec checks for the mesh definition
+            if (grid_vals[2::3] != 1.0).any():
+                raise ValueError('One or more mesh ratio value, qx, '
+                                'is not equal to one')
+
+            s = int(grid_vals[::3].sum())
+            if s != n_pnts:
+                raise ValueError(f'Sum of the fine bin entries, {s}, does '
+                                f'not match the number of fine bins, {n_pnts}')
+
+            # extend the grid based on the next coarse bin endpoint, px
+            # and the number of fine bins in the coarse bin, sx
+            intervals = grid_vals.reshape(-1, 3)
+            coords = [grid0]
+            for sx, px, qx in intervals:
+                coords += np.linspace(coords[-1], px, int(sx + 1)).tolist()[1:]
+
+            grids.append(np.array(coords))
+
+        if nwg == 1:
+            mesh = RectilinearMesh()
+            mesh.x_grid, mesh.y_grid, mesh.z_grid = grids
+        elif nwg == 2:
+            mesh = CylindricalMesh(
+                r_grid=grids[0],
+                z_grid=grids[1],
+                phi_grid=grids[2],
+                origin = xyz0,
+            )
+        elif nwg == 3:
+            mesh = SphericalMesh(
+                r_grid=grids[0],
+                theta_grid=grids[1],
+                phi_grid=grids[2],
+                origin = xyz0
+            )
+
+        # extract weight window values from array
+        wws = cls()
+        for ne_i, nt_i, particle_type in zip(ne, nt, ('neutron', 'photon')):
+            # no information to read for this particle if
+            # either the energy bins or time bins are empty
+            if ne_i == 0 or nt_i == 0:
+                continue
+
+            if iv > 1:
+                # time bins are parsed but unused for now
+                end_idx = start_idx + nt_i
+                time_bounds = ww_data[start_idx:end_idx]
+                np.insert(time_bounds, (0,), (0.0,))
+                start_idx = end_idx
+
+            # read energy boundaries
+            end_idx = start_idx + ne_i
+            energy_bounds = np.insert(ww_data[start_idx:end_idx], (0,), (0.0,))
+            # convert from MeV to eV
+            energy_bounds *= 1e6
+            start_idx = end_idx
+
+            # read weight window values
+            end_idx = start_idx + (nfx * nfy * nfz) * nt_i * ne_i
+
+            # read values and reshape according to ordering
+            # slowest to fastest: t, e, z, y, x
+            # reorder with transpose since our ordering is x, y, z, e, t
+            ww_shape = (nt_i, ne_i, nfz, nfy, nfx)
+            ww_values = ww_data[start_idx:end_idx].reshape(ww_shape).T
+            # Only use first time bin since we don't support time dependent weight
+            # windows yet.
+            ww_values = ww_values[:, :, :, :, 0]
+            start_idx = end_idx
+
+            # create a weight window object
+            ww = WeightWindows(id=None,
+                            mesh=mesh,
+                            lower_ww_bounds=ww_values,
+                            upper_bound_ratio=5.0,
+                            energy_bounds=energy_bounds,
+                            particle_type=particle_type)
+            wws.append(ww)
+
+        return wws
+
+    def export_to_hdf5(self, path: PathLike = 'weight_windows.h5', **init_kwargs):
+        """Write weight windows to an HDF5 file.
+
+        Parameters
+        ----------
+        path : PathLike
+            Path to the file to write weight windows to
+        **init_kwargs
+            Keyword arguments passed to :func:`openmc.lib.init`
+
+        """
+        import openmc.lib
+        cv.check_type('path', path, PathLike)
+
+        # Create a temporary model with the weight windows
+        model = openmc.Model()
+        sph = openmc.Sphere(boundary_type='vacuum')
+        cell = openmc.Cell(region=-sph)
+        model.geometry = openmc.Geometry([cell])
+        model.settings.weight_windows = self
+        model.settings.particles = 100
+        model.settings.batches = 1
+
+        # Get absolute path before moving to temporary directory
+        path = Path(path).resolve()
+
+        with change_directory(tmpdir=True):
+            # Write the model to an XML file
+            model.export_to_model_xml()
+
+            # Load the model with openmc.lib and then export it to an HDF5 file
+            with openmc.lib.run_in_memory(**init_kwargs):
+                openmc.lib.export_weight_windows(path)
diff --git a/tests/regression_tests/weightwindows/inputs_true.dat b/tests/regression_tests/weightwindows/inputs_true.dat
index dcc41ae84..91fec4af9 100644
--- a/tests/regression_tests/weightwindows/inputs_true.dat
+++ b/tests/regression_tests/weightwindows/inputs_true.dat
@@ -49,7 +49,7 @@
       <energy_bounds>0.0 0.5 20000000.0</energy_bounds>
       <lower_ww_bounds>-1.0 0.007673145137236567 6.542700644645627e-07 0.0017541380096893788 0.0007245451610090619 7.476545089278482e-06 2.253382683081525e-06 2.1040609012865134e-05 0.08285899874014539 -1.0 1.0262431550731535e-13 3.3164825349503764e-16 0.0064803314120165335 3.5981031766416143e-06 -1.0 1.6205064883026195e-11 1.7770136411255912e-05 0.0001670700632870335 4.323138781337963e-05 -1.0 -1.0 6.922231352729155e-05 0.06550426960512012 -1.0 2.5639656866250453e-06 1.4508262073256659e-13 -1.0 -1.0 0.0009127050763987511 3.8523247550378815e-12 -1.0 0.0008175033526488423 -1.0 0.015148978428271613 2.5157355790201773e-07 2.1612150425221703e-06 1.3181562352445092e-10 2.9282097947816224e-05 2.762955748645507e-05 2.936268747135548e-14 1.6859219614058024e-19 3.937160538176268e-07 2.6011787393916806e-06 0.001570829313580841 -1.0 1.7041669224797384e-09 1.6421491993751715e-11 0.4899999304038166 6.948292975998466e-07 -1.0 -1.0 0.08657573566388353 0.006639379668946672 1.681305446488884e-11 2.2487617828938326e-05 4.109066205029878e-05 0.08288806458368345 -1.0 0.007385384405891666 -1.0 -1.0 1.008394964750947e-06 6.655926357459275e-08 0.0016279794552427574 1.4825219199133353e-12 -1.0 1.93847081892941e-05 1.284759166582202e-05 5.1161740516205715e-05 2.5447281241730366e-07 3.853097455417877e-06 -1.0 8.887234042637684e-05 0.01621821782442112 -1.0 1.8747824667478637e-14 5.97653814110781e-06 -1.0 -1.0 1.2296747260635405e-06 -1.0 -1.0 7.754700849337902e-06 7.091263906557291e-05 3.2799045883372075e-06 0.00020573181450240786 5.6949597066784976e-05 1.271128669411295e-07 0.0010019432401508087 -1.0 -1.0 6.848642863465585e-07 5.783974359937857e-06 2.380955631371226e-06 4.756872959630257e-05 2.1360401784344975e-18 0.00046029617115127556 1.0092905083158804e-11 0.08095280568305474 3.89841667138598e-08 4.354946981329799e-05 -1.0 0.5 0.0015447823995470042 -1.0 -1.0 0.001959411999677113 0.48573842213878143 -1.0 7.962899789920809e-06 5.619835883512353e-14 0.0835648710074336 2.7207433165796702e-11 0.00027464244062887683 4.076762579823379e-17 2.124999182004655e-05 8.037131813528501e-07 8.846493399850663e-06 1.080711295768551e-05 -1.0 -1.0 0.0010737081832502356 2.679340942769232e-06 2.1648918040467363e-05 0.0002668579837809081 1.3455341306162382e-05 2.5629068330446215e-05 1.3228013765525015e-05 -1.0 -1.0 7.002861620919232e-08 1.5172912057312398e-14 -1.0 7.989579285134734e-06 2.639268952045579e-10 -1.0 0.013330619853379314 0.00021534568699157805 2.4469456008493614e-09 8.211982683649991e-09 1.951356547084204e-15 0.00016419031150495913 5.985108617124989e-06 1.28584557092134e-05 1.5476769237571295e-14 5.5379154134462336e-08 0.0016637126543321873 2.499931357628383e-07 8.020767115181574e-07 2.7697233171399416e-13 -1.0 0.007197662162700777 -1.0 0.0833931797381589 2.8226276944532696e-05 3.353295403842037e-05 5.504813693036933e-12 0.007136750029575816 0.08636569925236791 -1.0 -1.0 6.315154082213375e-07 0.4877856021170283 -1.0 3.7051518220083886e-06 -1.0 0.0017950613169359904 7.84289689494925e-06 9.041149893307806e-07 -1.0 8.48176145671274e-10 9.03108551826469e-05 3.634644995026692e-05 2.0295213621716706e-09 1.0305672698745657e-11 1.5550455959178486e-06 0.01664109232689093 8.533030345699353e-17 0.0009252532821720597 -1.0 7.695031155172816e-14 0.0007151459162818186 -1.0 -1.0 5.182269672663266e-10 3.0160758454323657e-07 -1.0 0.06539005235506369 3.452537179033895e-05 -1.0 -1.0 3.855884234344845e-06 0.00017699858357744463 2.594951085377588e-06 1.1333627604823673e-09 -1.0 2.4306375693722205e-06 0.0063790654507599135 2.2060992580622125e-11 -1.0 -1.0 0.0848872967381878 3.932389299316285e-06 1.2911827198500372e-08 1.957092814065688e-05 0.0007213722022489493 0.0018327593437608 1.6699254277734109e-06 0.007188410694198128 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0</lower_ww_bounds>
       <upper_ww_bounds>-10.0 0.07673145137236567 6.5427006446456266e-06 0.017541380096893787 0.0072454516100906195 7.476545089278483e-05 2.253382683081525e-05 0.00021040609012865135 0.828589987401454 -10.0 1.0262431550731535e-12 3.3164825349503764e-15 0.06480331412016534 3.5981031766416144e-05 -10.0 1.6205064883026195e-10 0.0001777013641125591 0.001670700632870335 0.0004323138781337963 -10.0 -10.0 0.0006922231352729155 0.6550426960512012 -10.0 2.5639656866250452e-05 1.4508262073256658e-12 -10.0 -10.0 0.009127050763987512 3.852324755037882e-11 -10.0 0.008175033526488424 -10.0 0.15148978428271614 2.515735579020177e-06 2.1612150425221703e-05 1.3181562352445092e-09 0.00029282097947816227 0.0002762955748645507 2.9362687471355483e-13 1.6859219614058023e-18 3.937160538176268e-06 2.6011787393916804e-05 0.015708293135808408 -10.0 1.7041669224797384e-08 1.6421491993751715e-10 4.899999304038166 6.948292975998466e-06 -10.0 -10.0 0.8657573566388354 0.06639379668946672 1.681305446488884e-10 0.00022487617828938325 0.0004109066205029878 0.8288806458368345 -10.0 0.07385384405891665 -10.0 -10.0 1.0083949647509469e-05 6.655926357459275e-07 0.016279794552427576 1.4825219199133352e-11 -10.0 0.000193847081892941 0.0001284759166582202 0.0005116174051620571 2.5447281241730365e-06 3.853097455417877e-05 -10.0 0.0008887234042637684 0.16218217824421122 -10.0 1.8747824667478637e-13 5.97653814110781e-05 -10.0 -10.0 1.2296747260635405e-05 -10.0 -10.0 7.754700849337902e-05 0.0007091263906557291 3.2799045883372076e-05 0.0020573181450240785 0.0005694959706678497 1.271128669411295e-06 0.010019432401508087 -10.0 -10.0 6.848642863465585e-06 5.7839743599378564e-05 2.380955631371226e-05 0.0004756872959630257 2.1360401784344976e-17 0.004602961711512756 1.0092905083158804e-10 0.8095280568305474 3.89841667138598e-07 0.00043549469813297995 -10.0 5.0 0.015447823995470043 -10.0 -10.0 0.01959411999677113 4.8573842213878144 -10.0 7.96289978992081e-05 5.619835883512353e-13 0.8356487100743359 2.7207433165796704e-10 0.002746424406288768 4.076762579823379e-16 0.00021249991820046548 8.037131813528501e-06 8.846493399850663e-05 0.0001080711295768551 -10.0 -10.0 0.010737081832502356 2.679340942769232e-05 0.00021648918040467362 0.0026685798378090807 0.00013455341306162382 0.00025629068330446217 0.00013228013765525016 -10.0 -10.0 7.002861620919232e-07 1.51729120573124e-13 -10.0 7.989579285134734e-05 2.639268952045579e-09 -10.0 0.13330619853379314 0.0021534568699157807 2.4469456008493615e-08 8.211982683649991e-08 1.951356547084204e-14 0.0016419031150495913 5.985108617124989e-05 0.000128584557092134 1.5476769237571296e-13 5.537915413446234e-07 0.016637126543321872 2.499931357628383e-06 8.020767115181574e-06 2.7697233171399415e-12 -10.0 0.07197662162700777 -10.0 0.8339317973815891 0.000282262769445327 0.00033532954038420373 5.504813693036933e-11 0.07136750029575815 0.8636569925236791 -10.0 -10.0 6.3151540822133754e-06 4.877856021170283 -10.0 3.7051518220083885e-05 -10.0 0.017950613169359905 7.84289689494925e-05 9.041149893307805e-06 -10.0 8.48176145671274e-09 0.000903108551826469 0.0003634644995026692 2.0295213621716707e-08 1.0305672698745658e-10 1.5550455959178486e-05 0.1664109232689093 8.533030345699353e-16 0.009252532821720597 -10.0 7.695031155172816e-13 0.007151459162818186 -10.0 -10.0 5.182269672663266e-09 3.0160758454323656e-06 -10.0 0.6539005235506369 0.0003452537179033895 -10.0 -10.0 3.855884234344845e-05 0.0017699858357744464 2.594951085377588e-05 1.1333627604823672e-08 -10.0 2.4306375693722206e-05 0.06379065450759913 2.2060992580622125e-10 -10.0 -10.0 0.848872967381878 3.9323892993162844e-05 1.2911827198500372e-07 0.0001957092814065688 0.0072137220224894934 0.018327593437608 1.669925427773411e-05 0.07188410694198127 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0</upper_ww_bounds>
-      <survival_ratio>3</survival_ratio>
+      <survival_ratio>3.0</survival_ratio>
       <max_lower_bound_ratio>1.5</max_lower_bound_ratio>
       <max_split>10</max_split>
       <weight_cutoff>1e-38</weight_cutoff>
@@ -65,7 +65,7 @@
       <energy_bounds>0.0 0.5 20000000.0</energy_bounds>
       <lower_ww_bounds>-1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 0.06827568359008944 0.00017329528628152923 0.018541112907970003 0.011113024641218336 8.76041935303527e-05 8.168081568291806e-05 0.00046693784586018913 0.4952432605379829 2.2512327083641865e-10 4.6258592060517866e-07 2.7044817176109556e-05 0.054902816619122045 0.00014126153603265097 8.304845400451923e-08 2.2950716170641463e-05 0.0001335621430311088 0.003432919201293737 0.0005197081842709918 5.726152701849347e-16 -1.0 0.0013332554437480327 0.4346984808472855 7.691527781829036e-17 0.00011042047857307253 3.0571050855707084e-06 -1.0 4.986698316296507e-06 0.011128424196387618 1.3106335518133802e-05 5.447493368067179e-10 0.011440381012864086 4.670673837764874e-08 0.12364069326350118 0.00012558879474108074 3.136829920007009e-05 2.34750482787598e-05 0.001537590300149361 0.0017693279949094218 6.717625881826167e-05 4.587143797469485e-08 2.6211239246796104e-05 0.00030002326388383244 0.01729816946709781 4.5757238372058234e-11 6.92296299242814e-05 3.792209399652396e-06 -1.0 9.256616392487858e-05 8.541606727879512e-07 -1.0 0.49317081643076643 0.05500108683629957 1.298062961617927e-05 0.0006870228272606287 0.0008231482263927564 0.5 3.419181071650816e-06 0.06433819434431046 6.574706543646946e-16 4.0404626147344e-13 0.0003782322077390033 0.00012637534695610975 0.017602971074583987 1.0044390728858277e-05 -1.0 0.0008787411098754915 0.00023686818807101741 0.0009304497896205121 6.949587369646497e-05 0.00012918433677593975 2.0707648529746894e-06 0.0023295401596005313 0.11819165666519223 -1.0 2.1606550732170693e-05 0.00022057970761624768 -1.0 1.0325207105027347e-08 0.0002029396545382813 2.1234980618763222e-13 -1.0 0.00024175998138228048 0.001178616843705956 0.0001399807456616496 0.0038811025614225057 0.0011076796092102186 0.00010814452764860558 0.010955637485319249 -1.0 9.382800796426366e-17 5.098747893974248e-05 0.00027052054298385255 0.00021305826462238593 0.000808100901275472 4.233410073487772e-06 0.0051513292132259495 8.616027294555462e-07 0.4873897581604287 2.9093345975075226e-05 0.000469589568463265 -1.0 -1.0 0.017802624844035688 1.3116807133030035e-15 2.617878055106949e-16 0.01884234453311008 -1.0 2.027381220364608e-16 0.0004299195570308035 1.4628847959717225e-05 0.4899952354672477 2.774067049392004e-07 0.004441328419270369 4.279460329782799e-09 0.0012297303081805393 0.0002792896409558745 0.0006934466049804711 8.370896020975689e-05 3.8270536025799805e-15 -1.0 0.01208261392046878 0.0001497958445994315 0.0015016500045374082 0.005384625561469684 0.00025519632243117644 0.0011028020390507682 0.0002362355168421952 -1.0 -1.0 8.862760180332873e-05 1.3806577785135177e-06 -1.0 0.0001319677450153934 2.6866894852481906e-05 -1.0 0.11510120013926417 0.002672923773363389 1.2257360246712472e-05 8.544159282151438e-05 2.777791741571174e-05 0.0014957033281168012 0.0003257646134837451 0.0008919466185572302 1.2907171695294846e-13 4.6842350882367666e-05 0.01721806295736377 0.00025106741008066317 0.00022234471595443313 2.101790478097517e-09 5.752120832330886e-11 0.06428782790571179 3.2478301680021854e-08 0.4903495510314233 0.001146714816952061 0.0004777967757842694 1.0882011018684852e-06 0.05708498338352203 0.4981497862127628 -1.0 3.2790914744011534e-06 0.00010077009726691265 -1.0 2.210707325798542e-07 4.3166052799897375e-05 -1.0 0.01825795827020865 0.0003182108781955478 3.8561696337086434e-05 1.0995322456277382e-06 9.53380658669839e-06 0.001550036616828061 0.0012648333883989995 5.272021975060514e-06 1.9257248009114363e-05 0.00016757997590048827 0.11891251244906934 5.515522196186723e-06 0.01102706140784316 9.904481358675478e-13 3.520674728719278e-05 0.011294708566804167 7.239087311622819e-08 -1.0 3.5740607788414942e-06 0.00035983547999740665 1.0588257623722672e-07 0.42372713683725016 0.0011273340972061078 8.582011716859219e-15 1.1514579117272292e-10 0.00043130977711323417 0.0027847329307350423 0.00017287873387910357 6.401055165502384e-06 1.722191123879782e-08 0.00020848309220162036 0.05639071613735579 1.8064550990294753e-05 1.289814511028015e-06 1.078687446476881e-14 0.4897735047310072 0.0002981891705231209 0.00016079768514218546 9.332371598523186e-05 0.011724714376848187 0.019040707071165303 0.00014242053195529864 0.06684484191345574 -1.0</lower_ww_bounds>
       <upper_ww_bounds>-10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 0.6827568359008944 0.0017329528628152924 0.18541112907970003 0.11113024641218336 0.0008760419353035269 0.0008168081568291806 0.004669378458601891 4.952432605379829 2.2512327083641864e-09 4.625859206051786e-06 0.00027044817176109554 0.5490281661912204 0.0014126153603265096 8.304845400451923e-07 0.00022950716170641464 0.001335621430311088 0.03432919201293737 0.0051970818427099184 5.726152701849347e-15 -10.0 0.013332554437480326 4.346984808472855 7.6915277818290365e-16 0.0011042047857307254 3.0571050855707086e-05 -10.0 4.986698316296507e-05 0.11128424196387618 0.000131063355181338 5.447493368067179e-09 0.11440381012864086 4.670673837764874e-07 1.2364069326350118 0.0012558879474108074 0.0003136829920007009 0.000234750482787598 0.01537590300149361 0.01769327994909422 0.0006717625881826168 4.587143797469485e-07 0.000262112392467961 0.0030002326388383245 0.1729816946709781 4.5757238372058235e-10 0.0006922962992428139 3.792209399652396e-05 -10.0 0.0009256616392487858 8.541606727879512e-06 -10.0 4.931708164307665 0.5500108683629957 0.00012980629616179268 0.006870228272606287 0.008231482263927564 5.0 3.419181071650816e-05 0.6433819434431045 6.574706543646946e-15 4.0404626147344005e-12 0.003782322077390033 0.0012637534695610975 0.17602971074583987 0.00010044390728858278 -10.0 0.008787411098754914 0.002368681880710174 0.00930449789620512 0.0006949587369646498 0.0012918433677593976 2.0707648529746893e-05 0.023295401596005315 1.1819165666519222 -10.0 0.00021606550732170693 0.0022057970761624767 -10.0 1.0325207105027347e-07 0.0020293965453828133 2.123498061876322e-12 -10.0 0.0024175998138228046 0.01178616843705956 0.0013998074566164962 0.03881102561422506 0.011076796092102187 0.0010814452764860557 0.10955637485319249 -10.0 9.382800796426367e-16 0.0005098747893974248 0.0027052054298385255 0.0021305826462238594 0.00808100901275472 4.233410073487772e-05 0.0515132921322595 8.61602729455546e-06 4.873897581604287 0.0002909334597507523 0.0046958956846326495 -10.0 -10.0 0.1780262484403569 1.3116807133030034e-14 2.6178780551069492e-15 0.1884234453311008 -10.0 2.027381220364608e-15 0.004299195570308035 0.00014628847959717226 4.899952354672477 2.774067049392004e-06 0.04441328419270369 4.279460329782799e-08 0.012297303081805393 0.002792896409558745 0.006934466049804711 0.0008370896020975689 3.8270536025799805e-14 -10.0 0.1208261392046878 0.001497958445994315 0.015016500045374082 0.05384625561469684 0.0025519632243117644 0.011028020390507681 0.002362355168421952 -10.0 -10.0 0.0008862760180332873 1.3806577785135176e-05 -10.0 0.001319677450153934 0.00026866894852481903 -10.0 1.1510120013926417 0.026729237733633893 0.00012257360246712473 0.0008544159282151438 0.0002777791741571174 0.014957033281168012 0.0032576461348374514 0.008919466185572301 1.2907171695294846e-12 0.00046842350882367664 0.17218062957363772 0.0025106741008066318 0.0022234471595443312 2.101790478097517e-08 5.752120832330886e-10 0.6428782790571179 3.2478301680021856e-07 4.903495510314233 0.01146714816952061 0.004777967757842694 1.0882011018684853e-05 0.5708498338352204 4.981497862127628 -10.0 3.279091474401153e-05 0.0010077009726691265 -10.0 2.210707325798542e-06 0.00043166052799897375 -10.0 0.1825795827020865 0.0031821087819554777 0.00038561696337086434 1.0995322456277382e-05 9.53380658669839e-05 0.01550036616828061 0.012648333883989995 5.272021975060514e-05 0.00019257248009114364 0.0016757997590048828 1.1891251244906933 5.515522196186723e-05 0.1102706140784316 9.904481358675478e-12 0.0003520674728719278 0.11294708566804167 7.239087311622819e-07 -10.0 3.574060778841494e-05 0.0035983547999740664 1.0588257623722672e-06 4.237271368372502 0.011273340972061077 8.582011716859219e-14 1.151457911727229e-09 0.004313097771132342 0.027847329307350423 0.0017287873387910357 6.401055165502385e-05 1.722191123879782e-07 0.0020848309220162036 0.5639071613735579 0.00018064550990294753 1.289814511028015e-05 1.078687446476881e-13 4.897735047310072 0.002981891705231209 0.0016079768514218546 0.0009332371598523186 0.11724714376848187 0.19040707071165303 0.0014242053195529865 0.6684484191345574 -10.0</upper_ww_bounds>
-      <survival_ratio>3</survival_ratio>
+      <survival_ratio>3.0</survival_ratio>
       <max_lower_bound_ratio>1.5</max_lower_bound_ratio>
       <max_split>10</max_split>
       <weight_cutoff>1e-38</weight_cutoff>
diff --git a/tests/unit_tests/weightwindows/test_ww_list.py b/tests/unit_tests/weightwindows/test_ww_list.py
new file mode 100644
index 000000000..d148f382a
--- /dev/null
+++ b/tests/unit_tests/weightwindows/test_ww_list.py
@@ -0,0 +1,23 @@
+import openmc
+
+
+def test_ww_roundtrip(request, run_in_tmpdir):
+    # Load weight windows from a wwinp file
+    wwinp_file = request.path.with_name('wwinp_n')
+    wws = openmc.WeightWindowsList.from_wwinp(wwinp_file)
+
+    # Roundtrip them, writing to HDF5 and reading back in
+    wws.export_to_hdf5('ww.h5')
+    wws_new = openmc.WeightWindowsList.from_hdf5('ww.h5')
+
+    # Check that the new weight windows are the same as the original
+    assert len(wws) == len(wws_new)
+    for ww, ww_new in zip(wws, wws_new):
+        assert ww.particle_type == ww_new.particle_type
+        assert (ww.lower_ww_bounds == ww_new.lower_ww_bounds).all()
+        assert (ww.upper_ww_bounds == ww_new.upper_ww_bounds).all()
+        assert ww.survival_ratio == ww_new.survival_ratio
+        assert ww.num_energy_bins == ww_new.num_energy_bins
+        assert ww.max_split == ww_new.max_split
+        assert ww.weight_cutoff == ww_new.weight_cutoff
+        assert ww.mesh.id == ww_new.mesh.id

From 5c10214465107277b4f046b58ff9d00e34ba4ce4 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Thu, 26 Jun 2025 03:29:45 +0200
Subject: [PATCH 2339/2654] added openmc.Material.mean_free_path function
 (#3469)

---
 openmc/material.py                | 30 ++++++++++++++++++++++++++++++
 tests/unit_tests/test_material.py | 13 +++++++++++++
 2 files changed, 43 insertions(+)

diff --git a/openmc/material.py b/openmc/material.py
index 770722f74..c6765178e 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -1718,6 +1718,36 @@ class Material(IDManagerMixin):
         return mat
 
 
+    def mean_free_path(self, energy: float) -> float:
+        """Calculate the mean free path of neutrons in the material at a given
+        energy.
+
+        .. versionadded:: 0.15.3
+
+        Parameters
+        ----------
+        energy : float
+            Neutron energy in eV
+
+        Returns
+        -------
+        float
+            Mean free path in cm
+
+        """
+        from openmc.plotter import _calculate_cexs_elem_mat
+
+        energy_grid, cexs = _calculate_cexs_elem_mat(
+            this=self,
+            types=["total"],
+        )
+        total_cexs = cexs[0]
+
+        interpolated_cexs = float(np.interp(energy, energy_grid, total_cexs))
+
+        return 1.0 / interpolated_cexs
+
+
 class Materials(cv.CheckedList):
     """Collection of Materials used for an OpenMC simulation.
 
diff --git a/tests/unit_tests/test_material.py b/tests/unit_tests/test_material.py
index 8ad579563..db5f4ce32 100644
--- a/tests/unit_tests/test_material.py
+++ b/tests/unit_tests/test_material.py
@@ -710,3 +710,16 @@ def test_avoid_subnormal(run_in_tmpdir):
     # When read back in, the density should be zero
     mats = openmc.Materials.from_xml()
     assert mats[0].get_nuclide_atom_densities()['H2'] == 0.0
+
+
+def test_mean_free_path():
+
+    mat1 = openmc.Material()
+    mat1.add_nuclide('Si28', 1.0)
+    mat1.set_density('g/cm3', 2.32)
+    assert mat1.mean_free_path(energy=14e6) == pytest.approx(11.41, abs=1e-2)
+
+    mat2 = openmc.Material()
+    mat2.add_nuclide('Pb208', 1.0)
+    mat2.set_density('g/cm3', 11.34)
+    assert mat2.mean_free_path(energy=14e6) == pytest.approx(5.65, abs=1e-2)

From c116288ea389f01420600fe31f000ff7276990dc Mon Sep 17 00:00:00 2001
From: John Tramm <john.tramm@gmail.com>
Date: Thu, 26 Jun 2025 18:50:26 -0500
Subject: [PATCH 2340/2654] Updated Docs to Not Give Specific Python Version
 Requirement (#3473)

---
 docs/source/usersguide/install.rst | 11 +++++++----
 1 file changed, 7 insertions(+), 4 deletions(-)

diff --git a/docs/source/usersguide/install.rst b/docs/source/usersguide/install.rst
index 7a8cb8020..2621109f7 100644
--- a/docs/source/usersguide/install.rst
+++ b/docs/source/usersguide/install.rst
@@ -515,10 +515,13 @@ to install the Python package in :ref:`"editable" mode <devguide_editable>`.
 Prerequisites
 -------------
 
-The Python API works with Python 3.8+. In addition to Python itself, the API
-relies on a number of third-party packages. All prerequisites can be installed
-using Conda_ (recommended), pip_, or through the package manager in most Linux
-distributions.
+In addition to Python itself, the OpenMC Python API relies on a number of
+third-party packages. All prerequisites can be installed using Conda_
+(recommended), pip_, or through the package manager in most Linux distributions.
+The current required Python version and up-to-date list of package dependencies
+can be found in the `pyproject.toml <https://github.com/openmc-dev/openmc/blob/develop/pyproject.toml>`_
+file in the root directory of the OpenMC repository. An overview of these
+dependencies is provided below.
 
 .. admonition:: Required
    :class: error

From 25d64c9b26b0bf4d4b0aad4829ea8ec225226905 Mon Sep 17 00:00:00 2001
From: Ahnaf Tahmid Chowdhury <ahnaf-tahmid@outlook.com>
Date: Fri, 27 Jun 2025 06:49:55 +0600
Subject: [PATCH 2341/2654] Refactor and Harden Configuration Management
 (#3461)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/config.py                | 230 +++++++++++++++++++++++---------
 tests/unit_tests/test_config.py | 115 +++++++++++-----
 2 files changed, 247 insertions(+), 98 deletions(-)

diff --git a/openmc/config.py b/openmc/config.py
index 56d8a4072..d61fb2d31 100644
--- a/openmc/config.py
+++ b/openmc/config.py
@@ -1,8 +1,23 @@
+"""Module for handling global configuration in OpenMC.
+
+This module exports a single object, `config`, that can be used to control
+various settings, primarily paths to data files. It acts like a dictionary but
+with special behaviors.
+
+Examples
+--------
+>>> import openmc
+>>> openmc.config['cross_sections'] = '/path/to/my/cross_sections.xml'
+>>> print(openmc.config)
+{'resolve_paths': True, 'cross_sections': PosixPath('/path/to/my/cross_sections.xml')}
+
+"""
 from collections.abc import MutableMapping
 from contextlib import contextmanager
 import os
 from pathlib import Path
 import warnings
+from typing import Any, Dict, Iterator
 
 from openmc.data import DataLibrary
 from openmc.data.decay import _DECAY_ENERGY, _DECAY_PHOTON_ENERGY
@@ -11,104 +26,195 @@ __all__ = ["config"]
 
 
 class _Config(MutableMapping):
-    def __init__(self, data=()):
-        self._mapping = {'resolve_paths': True}
+    """A configuration dictionary for OpenMC with special handling for path-like values.
+
+    This class enforces valid configuration keys and synchronizes path-related
+    settings with their corresponding environment variables.
+
+    Attributes
+    ----------
+    cross_sections : pathlib.Path
+        Path to a cross_sections.xml file. Also sets/unsets the
+        OPENMC_CROSS_SECTIONS environment variable.
+    mg_cross_sections : pathlib.Path
+        Path to a multi-group cross_sections.h5 file. Also sets/unsets
+        the OPENMC_MG_CROSS_SECTIONS environment variable.
+    chain_file : pathlib.Path
+        Path to a depletion chain XML file. Also sets/unsets the
+        OPENMC_CHAIN_FILE environment variable. Setting or deleting this
+        clears internal decay data caches.
+    resolve_paths : bool
+        If True (default), all paths assigned are resolved to absolute
+        paths. If False, paths are stored as they are provided.
+
+    """
+    _PATH_KEYS: Dict[str, str] = {
+        'cross_sections': 'OPENMC_CROSS_SECTIONS',
+        'mg_cross_sections': 'OPENMC_MG_CROSS_SECTIONS',
+        'chain_file': 'OPENMC_CHAIN_FILE'
+    }
+
+    def __init__(self, data: dict = ()):
+        self._mapping: Dict[str, Any] = {'resolve_paths': True}
         self.update(data)
 
-    def __getitem__(self, key):
+    def __getitem__(self, key: str) -> Any:
         return self._mapping[key]
 
-    def __delitem__(self, key):
-        del self._mapping[key]
-        if key == 'cross_sections':
-            del os.environ['OPENMC_CROSS_SECTIONS']
-        elif key == 'mg_cross_sections':
-            del os.environ['OPENMC_MG_CROSS_SECTIONS']
-        elif key == 'chain_file':
-            del os.environ['OPENMC_CHAIN_FILE']
-            # Reset photon source data since it relies on chain file
-            _DECAY_PHOTON_ENERGY.clear()
+    def __delitem__(self, key: str):
+        """Delete a configuration key.
 
-    def __setitem__(self, key, value):
-        if key == 'cross_sections':
-            # Force environment variable to match
-            self._set_path(key, value)
-            os.environ['OPENMC_CROSS_SECTIONS'] = str(value)
-        elif key == 'mg_cross_sections':
-            self._set_path(key, value)
-            os.environ['OPENMC_MG_CROSS_SECTIONS'] = str(value)
-        elif key == 'chain_file':
-            self._set_path(key, value)
-            os.environ['OPENMC_CHAIN_FILE'] = str(value)
-            # Reset photon source data since it relies on chain file
+        This also deletes the corresponding environment variable if the key is a
+        path-like key, and clears decay data caches if 'chain_file' is deleted.
+        'resolve_paths' cannot be deleted.
+
+        """
+        if key == 'resolve_paths':
+            raise KeyError("'resolve_paths' cannot be deleted.")
+        del self._mapping[key]
+        if key in self._PATH_KEYS:
+            env_var = self._PATH_KEYS[key]
+            if env_var in os.environ:
+                del os.environ[env_var]
+        if key == 'chain_file':
             _DECAY_PHOTON_ENERGY.clear()
             _DECAY_ENERGY.clear()
+
+    def __setitem__(self, key: str, value: Any):
+        """Set a configuration key and its corresponding value.
+
+        For path-like keys, this method performs several actions:
+        1. Resolves the path to an absolute path if `resolve_paths` is True.
+        2. Stores the `pathlib.Path` object.
+        3. Sets the corresponding environment variable (e.g., OPENMC_CROSS_SECTIONS).
+        4. For 'chain_file', clears internal decay data caches.
+        5. Issues a `UserWarning` if the final path does not exist.
+
+        """
+        if key in self._PATH_KEYS:
+            p = Path(value)
+            # Use .get() for robustness, defaulting to True
+            if self._mapping.get('resolve_paths', True):
+                stored_path = p.resolve(strict=False)
+            else:
+                stored_path = p
+
+            self._mapping[key] = stored_path
+            os.environ[self._PATH_KEYS[key]] = str(stored_path)
+
+            if key == 'chain_file':
+                _DECAY_PHOTON_ENERGY.clear()
+                _DECAY_ENERGY.clear()
+
+            if not stored_path.exists():
+                warnings.warn(f"Path '{stored_path}' does not exist.", UserWarning)
+
         elif key == 'resolve_paths':
+            if not isinstance(value, bool):
+                raise TypeError("'resolve_paths' must be a boolean.")
             self._mapping[key] = value
         else:
-            raise KeyError(f'Unrecognized config key: {key}. Acceptable keys '
-                           'are "cross_sections", "mg_cross_sections", '
-                           '"chain_file", and "resolve_paths".')
+            valid_keys = list(self._PATH_KEYS.keys()) + ['resolve_paths']
+            raise KeyError(
+                f"Unrecognized config key: {key}. Acceptable keys are: "
+                f"{', '.join(repr(k) for k in valid_keys)}."
+            )
 
-    def __iter__(self):
+    def __iter__(self) -> Iterator[str]:
         return iter(self._mapping)
 
-    def __len__(self):
+    def __len__(self) -> int:
         return len(self._mapping)
 
-    def __repr__(self):
+    def __repr__(self) -> str:
         return repr(self._mapping)
 
-    def _set_path(self, key, value):
-        self._mapping[key] = p = Path(value).resolve()
-        if not p.exists():
-            warnings.warn(f"'{value}' does not exist.")
+    def clear(self):
+        """Clear all configuration keys except for 'resolve_paths'.
+
+        This ensures that the path resolution behavior is not accidentally reset
+        when clearing the configuration.
+
+        """
+        # Create a copy of keys to iterate over for safe deletion
+        keys_to_delete = [k for k in self._mapping if k != 'resolve_paths']
+        for key in keys_to_delete:
+            del self[key]
 
     @contextmanager
-    def patch(self, key, value):
-        """Temporarily change a value in the configuration.
+    def patch(self, key: str, value: Any):
+        """Context manager to temporarily change a configuration value.
+
+        After the `with` block, the configuration is restored to its original
+        state.
 
         Parameters
         ----------
         key : str
-            Key to change
-        value : object
-            New value
+            The key of the configuration value to change.
+        value
+            The new temporary value.
+
+        Examples
+        --------
+        >>> openmc.config['cross_sections'] = 'endf71.xml'
+        >>> with openmc.config.patch('cross_sections', 'fendl32.xml'):
+        ...     # Code in this block sees the new value
+        ...     print(f"Inside with block: {openmc.config['cross_sections']}")
+        >>> # Outside the block, the value is restored
+        >>> print(f"Outside with block: {openmc.config['cross_sections']}")
+        Inside with block: fendl32.xml
+        Outside with block: endf71.xml
+
         """
         previous_value = self.get(key)
         self[key] = value
-        yield
-        if previous_value is None:
-            del self[key]
-        else:
-            self[key] = previous_value
+        try:
+            yield
+        finally:
+            if previous_value is None:
+                del self[key]
+            else:
+                self[key] = previous_value
 
-def _default_config():
-    """Return default configuration"""
+
+def _default_config() -> _Config:
+    """Create a configuration initialized from environment variables.
+
+    This function checks for OPENMC_CROSS_SECTIONS, OPENMC_MG_CROSS_SECTIONS,
+    and OPENMC_CHAIN_FILE environment variables. It also has logic to find
+    a chain file within a `cross_sections.xml` file if one is not
+    explicitly set.
+
+    Returns
+    -------
+    _Config
+        A new configuration object.
+
+    """
     config = _Config()
-
-    # Set cross sections using environment variable
     if "OPENMC_CROSS_SECTIONS" in os.environ:
         config['cross_sections'] = os.environ["OPENMC_CROSS_SECTIONS"]
     if "OPENMC_MG_CROSS_SECTIONS" in os.environ:
         config['mg_cross_sections'] = os.environ["OPENMC_MG_CROSS_SECTIONS"]
-
-    # Set depletion chain
     chain_file = os.environ.get("OPENMC_CHAIN_FILE")
-    if (chain_file is None and
-        config.get('cross_sections') is not None and
-        config['cross_sections'].exists()
-        ):
-        # Check for depletion chain in cross_sections.xml
-        data = DataLibrary.from_xml(config['cross_sections'])
-        for lib in reversed(data.libraries):
-            if lib['type'] == 'depletion_chain':
-                chain_file = lib['path']
-                break
+    xs_path = config.get('cross_sections')
+    if chain_file is None and xs_path is not None and xs_path.exists():
+        try:
+            data = DataLibrary.from_xml(xs_path)
+        except Exception:
+            # Let this pass silently if cross_sections.xml can't be parsed
+            # or if a dependency like lxml is not available.
+            pass
+        else:
+            for lib in reversed(data.libraries):
+                if lib['type'] == 'depletion_chain':
+                    chain_file = xs_path.parent / lib['path']
+                    break
     if chain_file is not None:
         config['chain_file'] = chain_file
-
     return config
 
 
+# Global configuration dictionary for OpenMC settings.
 config = _default_config()
diff --git a/tests/unit_tests/test_config.py b/tests/unit_tests/test_config.py
index 4e87de4b7..242c59b5e 100644
--- a/tests/unit_tests/test_config.py
+++ b/tests/unit_tests/test_config.py
@@ -3,58 +3,101 @@ import os
 from pathlib import Path
 
 import openmc
+from openmc.config import _default_config
+from openmc.data import decay
 import pytest
 
 
-@pytest.fixture(autouse=True, scope='module')
-def reset_config():
-    config = dict(openmc.config)
+@pytest.fixture(autouse=True, scope='function')
+def reset_config_and_env():
+    """A fixture to ensure each test has a clean config, env, and CWD."""
+    original_env = dict(os.environ)
+    original_cwd = os.getcwd()
+
+    # Reset environment variables that affect config
+    for key in ['OPENMC_CROSS_SECTIONS', 'OPENMC_MG_CROSS_SECTIONS', 'OPENMC_CHAIN_FILE']:
+        if key in os.environ:
+            del os.environ[key]
+
+    # Re-initialize the global config object
+    openmc.config = _default_config()
+
     try:
         yield
     finally:
-        openmc.config.clear()
-        openmc.config.update(config)
+        # Restore environment and CWD
+        os.environ.clear()
+        os.environ.update(original_env)
+        os.chdir(original_cwd)
+
+        # Restore config one last time for safety between modules
+        openmc.config = _default_config()
 
 
 def test_config_basics():
     assert isinstance(openmc.config, Mapping)
-    for key, value in openmc.config.items():
-        assert isinstance(key, str)
-        if key == 'resolve_paths':
-            assert isinstance(value, bool)
-        else:
-            assert isinstance(value, os.PathLike)
-
-    # Set and delete
-    openmc.config['cross_sections'] = '/path/to/cross_sections.xml'
+    with pytest.warns(UserWarning):
+        openmc.config['cross_sections'] = '/path/to/cross_sections.xml'
     del openmc.config['cross_sections']
     assert 'cross_sections' not in openmc.config
     assert 'OPENMC_CROSS_SECTIONS' not in os.environ
-
-    # Can't use any key
-    with pytest.raises(KeyError):
-        openmc.config['🐖'] = '/like/to/eat/bacon'
-
-    # ensure relative paths are expanded into absolute
-    # paths
-    chain_path = Path('./chain.xml')
-    openmc.config['chain_file'] = chain_path
-    assert openmc.config['chain_file'] == chain_path.resolve()
+    with pytest.raises(KeyError, match="Unrecognized config key: nuke"):
+        openmc.config['nuke'] = '/like/to/eat/bacon'
+    with pytest.raises(TypeError):
+        openmc.config['resolve_paths'] = 'not a bool'
 
 
-def test_config_patch():
-    openmc.config['cross_sections'] = '/path/to/cross_sections.xml'
-    with openmc.config.patch('cross_sections', '/path/to/other.xml'):
-        assert str(openmc.config['cross_sections']) == '/path/to/other.xml'
-    assert str(openmc.config['cross_sections']) == '/path/to/cross_sections.xml'
+def test_config_path_resolution(tmp_path):
+    """Test path resolution logic."""
+    os.chdir(tmp_path)
+    relative_path = Path("some/file.xml")
+    absolute_path = relative_path.resolve()
+
+    # Test with resolve_paths = True (default)
+    with pytest.warns(UserWarning):
+        openmc.config['cross_sections'] = relative_path
+    assert openmc.config['cross_sections'] == absolute_path
+    assert openmc.config['cross_sections'].is_absolute()
+
+    # Test with resolve_paths = False
+    with openmc.config.patch('resolve_paths', False):
+        with pytest.warns(UserWarning):
+            openmc.config['chain_file'] = relative_path
+        assert openmc.config['chain_file'] == relative_path
+        assert not openmc.config['chain_file'].is_absolute()
+
+    assert openmc.config['resolve_paths'] is True
 
 
-def test_config_set_envvar():
-    openmc.config['cross_sections'] = '/path/to/cross_sections.xml'
-    assert os.environ['OPENMC_CROSS_SECTIONS'] == '/path/to/cross_sections.xml'
+def test_config_patch(tmp_path):
+    file_a = tmp_path / "a.xml"; file_a.touch()
+    file_b = tmp_path / "b.xml"; file_b.touch()
+    openmc.config['cross_sections'] = file_a
+    with openmc.config.patch('cross_sections', file_b):
+        assert openmc.config['cross_sections'] == file_b.resolve()
+    assert openmc.config['cross_sections'] == file_a.resolve()
 
-    openmc.config['mg_cross_sections'] = '/path/to/mg_cross_sections.h5'
-    assert os.environ['OPENMC_MG_CROSS_SECTIONS'] == '/path/to/mg_cross_sections.h5'
+def test_config_set_envvar(tmp_path):
+    """Test that setting config also sets environment variables correctly."""
+    os.chdir(tmp_path)
+    relative_path = Path("relative.xml")
+    with pytest.warns(UserWarning):
+        openmc.config['cross_sections'] = relative_path
+    expected_path = str(relative_path.resolve())
+    assert os.environ['OPENMC_CROSS_SECTIONS'] == expected_path
 
-    openmc.config['chain_file'] = '/path/to/chain_file.xml'
-    assert os.environ['OPENMC_CHAIN_FILE'] == '/path/to/chain_file.xml'
+
+def test_config_warning_nonexistent_path(tmp_path):
+    """Test that a warning is issued for a path that does not exist."""
+    bad_path = tmp_path / "a/path/that/does/not/exist.xml"
+    with pytest.warns(UserWarning, match=f"Path '{bad_path}' does not exist."):
+        openmc.config['chain_file'] = bad_path
+
+
+def test_config_chain_side_effect(tmp_path):
+    """Test that modifying chain_file clears decay data caches."""
+    chain_file = tmp_path / "chain.xml"; chain_file.touch()
+    decay._DECAY_ENERGY['U235'] = (1.0, 2.0)
+    decay._DECAY_PHOTON_ENERGY['PU239'] = {}
+    openmc.config['chain_file'] = chain_file
+    assert not decay._DECAY_ENERGY and not decay._DECAY_PHOTON_ENERGY

From b939f9003b65b8b7c1070256f51638c25e8d8c30 Mon Sep 17 00:00:00 2001
From: John Tramm <john.tramm@gmail.com>
Date: Mon, 30 Jun 2025 03:33:22 -0500
Subject: [PATCH 2342/2654] Stabilize Adjoint Source (#3476)

---
 src/random_ray/flat_source_domain.cpp | 24 ++++++++++++++++++++++++
 1 file changed, 24 insertions(+)

diff --git a/src/random_ray/flat_source_domain.cpp b/src/random_ray/flat_source_domain.cpp
index 41e93ec94..4a5b43036 100644
--- a/src/random_ray/flat_source_domain.cpp
+++ b/src/random_ray/flat_source_domain.cpp
@@ -1242,6 +1242,30 @@ void FlatSourceDomain::set_adjoint_sources(const vector<double>& forward_flux)
     }
   }
 
+  // "Small" source regions in OpenMC are defined as those that are hit by
+  // MIN_HITS_PER_BATCH rays or fewer each batch. These regions typically have
+  // very small volumes combined with a low aspect ratio, and are often
+  // generated when applying a source region mesh that clips the edge of a
+  // curved surface. As perhaps only a few rays will visit these regions over
+  // the entire forward simulation, the forward flux estimates are extremely
+  // noisy and unreliable. In some cases, the noise may make the forward fluxes
+  // extremely low, leading to unphysically large adjoint source terms,
+  // resulting in weight windows that aggressively try to drive particles
+  // towards these regions. To fix this, we simply filter out any "small" source
+  // regions from consideration. If a source region is "small", we
+  // set its adjoint source to zero. This adds negligible bias to the adjoint
+  // flux solution, as the true total adjoint source contribution from small
+  // regions is likely to be negligible.
+#pragma omp parallel for
+  for (int64_t sr = 0; sr < n_source_regions(); sr++) {
+    if (source_regions_.is_small(sr)) {
+      for (int g = 0; g < negroups_; g++) {
+        source_regions_.external_source(sr, g) = 0.0;
+      }
+      source_regions_.external_source_present(sr) = 0;
+    }
+  }
+
   // Divide the fixed source term by sigma t (to save time when applying each
   // iteration)
 #pragma omp parallel for

From dab8af5672d7367996fd78a40b0c75d852efe0db Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 1 Jul 2025 05:43:28 -0500
Subject: [PATCH 2343/2654] Support flux collapse method in
 `get_microxs_and_flux` (#3466)

Co-authored-by: Jonathan Shimwell <drshimwell@gmail.com>
---
 openmc/deplete/microxs.py                     | 134 +++++++++++++-----
 openmc/filter_expansion.py                    |   2 +-
 tests/regression_tests/microxs/test.py        |  71 +++++-----
 .../microxs/test_reference_materials.csv      |  25 ----
 .../test_reference_materials_direct.csv       |   7 +
 .../microxs/test_reference_materials_flux.csv |   7 +
 .../microxs/test_reference_mesh.csv           |  25 ----
 .../microxs/test_reference_mesh_direct.csv    |   7 +
 .../microxs/test_reference_mesh_flux.csv      |   7 +
 9 files changed, 163 insertions(+), 122 deletions(-)
 delete mode 100644 tests/regression_tests/microxs/test_reference_materials.csv
 create mode 100644 tests/regression_tests/microxs/test_reference_materials_direct.csv
 create mode 100644 tests/regression_tests/microxs/test_reference_materials_flux.csv
 delete mode 100644 tests/regression_tests/microxs/test_reference_mesh.csv
 create mode 100644 tests/regression_tests/microxs/test_reference_mesh_direct.csv
 create mode 100644 tests/regression_tests/microxs/test_reference_mesh_flux.csv

diff --git a/openmc/deplete/microxs.py b/openmc/deplete/microxs.py
index d478db11b..cbc8b1c88 100644
--- a/openmc/deplete/microxs.py
+++ b/openmc/deplete/microxs.py
@@ -5,8 +5,10 @@ IndependentOperator class for depletion.
 """
 
 from __future__ import annotations
-from collections.abc import Iterable, Sequence
+from collections.abc import Sequence
+import shutil
 from tempfile import TemporaryDirectory
+from typing import Union, TypeAlias
 
 import pandas as pd
 import numpy as np
@@ -27,19 +29,39 @@ _valid_rxns.append('fission')
 _valid_rxns.append('damage-energy')
 
 
+# TODO: Replace with type statement when support is Python 3.12+
+DomainTypes: TypeAlias = Union[
+    Sequence[openmc.Material],
+    Sequence[openmc.Cell],
+    Sequence[openmc.Universe],
+    openmc.MeshBase,
+    openmc.Filter
+]
+
+
 def get_microxs_and_flux(
-        model: openmc.Model,
-        domains,
-        nuclides: Iterable[str] | None = None,
-        reactions: Iterable[str] | None = None,
-        energies: Iterable[float] | str | None = None,
-        chain_file: PathLike | Chain | None = None,
-        run_kwargs=None
-    ) -> tuple[list[np.ndarray], list[MicroXS]]:
-    """Generate a microscopic cross sections and flux from a Model
+    model: openmc.Model,
+    domains: DomainTypes,
+    nuclides: Sequence[str] | None = None,
+    reactions: Sequence[str] | None = None,
+    energies: Sequence[float] | str | None = None,
+    reaction_rate_mode: str = 'direct',
+    chain_file: PathLike | Chain | None = None,
+    path_statepoint: PathLike | None = None,
+    run_kwargs=None
+) -> tuple[list[np.ndarray], list[MicroXS]]:
+    """Generate microscopic cross sections and fluxes for multiple domains.
+
+    This function runs a neutron transport solve to obtain the flux and reaction
+    rates in the specified domains and computes multigroup microscopic cross
+    sections that can be used in depletion calculations with the
+    :class:`~openmc.deplete.IndependentOperator` class.
 
     .. versionadded:: 0.14.0
 
+    .. versionchanged:: 0.15.3
+        Added `reaction_rate_mode` and `path_statepoint` arguments.
+
     Parameters
     ----------
     model : openmc.Model
@@ -53,12 +75,22 @@ def get_microxs_and_flux(
         Reactions to get cross sections for. If not specified, all neutron
         reactions listed in the depletion chain file are used.
     energies : iterable of float or str
-        Energy group boundaries in [eV] or the name of the group structure
+        Energy group boundaries in [eV] or the name of the group structure.
+        If left as None energies will default to [0.0, 100e6]
+    reaction_rate_mode : {"direct", "flux"}, optional
+        Indicate how reaction rates should be calculated. The "direct" method
+        tallies reaction rates directly. The "flux" method tallies a multigroup
+        flux spectrum and then collapses multigroup reaction rates after a
+        transport solve (with an option to tally some reaction rates directly).
     chain_file : PathLike or Chain, optional
         Path to the depletion chain XML file or an instance of
         openmc.deplete.Chain. Used to determine cross sections for materials not
         present in the inital composition. Defaults to
         ``openmc.config['chain_file']``.
+    path_statepoint : path-like, optional
+        Path to write the statepoint file from the neutron transport solve to.
+        By default, The statepoint file is written to a temporary directory and
+        is not kept.
     run_kwargs : dict, optional
         Keyword arguments passed to :meth:`openmc.Model.run`
 
@@ -69,7 +101,13 @@ def get_microxs_and_flux(
     list of MicroXS
         Cross section data in [b] for each domain
 
+    See Also
+    --------
+    openmc.deplete.IndependentOperator
+
     """
+    check_value('reaction_rate_mode', reaction_rate_mode, {'direct', 'flux'})
+
     # Save any original tallies on the model
     original_tallies = model.tallies
 
@@ -85,8 +123,8 @@ def get_microxs_and_flux(
 
     # Set up the reaction rate and flux tallies
     if energies is None:
-        energy_filter = openmc.EnergyFilter([0.0, 100.0e6])
-    elif isinstance(energies, str):
+        energies = [0.0, 100.0e6]
+    if isinstance(energies, str):
         energy_filter = openmc.EnergyFilter.from_group_structure(energies)
     else:
         energy_filter = openmc.EnergyFilter(energies)
@@ -104,16 +142,18 @@ def get_microxs_and_flux(
     else:
         raise ValueError(f"Unsupported domain type: {type(domains[0])}")
 
-    rr_tally = openmc.Tally(name='MicroXS RR')
-    rr_tally.filters = [domain_filter, energy_filter]
-    rr_tally.nuclides = nuclides
-    rr_tally.multiply_density = False
-    rr_tally.scores = reactions
-
     flux_tally = openmc.Tally(name='MicroXS flux')
     flux_tally.filters = [domain_filter, energy_filter]
     flux_tally.scores = ['flux']
-    model.tallies = openmc.Tallies([rr_tally, flux_tally])
+    model.tallies = [flux_tally]
+
+    if reaction_rate_mode == 'direct':
+        rr_tally = openmc.Tally(name='MicroXS RR')
+        rr_tally.filters = [domain_filter, energy_filter]
+        rr_tally.nuclides = nuclides
+        rr_tally.multiply_density = False
+        rr_tally.scores = reactions
+        model.tallies.append(rr_tally)
 
     if openmc.lib.is_initialized:
         openmc.lib.finalize()
@@ -134,33 +174,55 @@ def get_microxs_and_flux(
         statepoint_path = model.run(**run_kwargs)
 
         if comm.rank == 0:
+            # Move the statepoint file if it is being saved to a specific path
+            if path_statepoint is not None:
+                shutil.move(statepoint_path, path_statepoint)
+                statepoint_path = path_statepoint
+
             with StatePoint(statepoint_path) as sp:
-                rr_tally = sp.tallies[rr_tally.id]
-                rr_tally._read_results()
+                if reaction_rate_mode == 'direct':
+                    rr_tally = sp.tallies[rr_tally.id]
+                    rr_tally._read_results()
                 flux_tally = sp.tallies[flux_tally.id]
                 flux_tally._read_results()
 
-    rr_tally = comm.bcast(rr_tally)
+    # Get flux values and make energy groups last dimension
     flux_tally = comm.bcast(flux_tally)
-    # Get reaction rates and flux values
-    reaction_rates = rr_tally.get_reshaped_data()  # (domains, groups, nuclides, reactions)
     flux = flux_tally.get_reshaped_data()  # (domains, groups, 1, 1)
-
-    # Make energy groups last dimension
-    reaction_rates = np.moveaxis(reaction_rates, 1, -1)  # (domains, nuclides, reactions, groups)
     flux = np.moveaxis(flux, 1, -1)  # (domains, 1, 1, groups)
 
-    # Divide RR by flux to get microscopic cross sections
-    xs = np.empty_like(reaction_rates) # (domains, nuclides, reactions, groups)
-    d, _, _, g = np.nonzero(flux)
-    xs[d, ..., g] = reaction_rates[d, ..., g] / flux[d, :, :, g]
+    # Create list where each item corresponds to one domain
+    fluxes = list(flux.squeeze((1, 2)))
+
+    if reaction_rate_mode == 'direct':
+        # Get reaction rates
+        rr_tally = comm.bcast(rr_tally)
+        reaction_rates = rr_tally.get_reshaped_data()  # (domains, groups, nuclides, reactions)
+
+        # Make energy groups last dimension
+        reaction_rates = np.moveaxis(reaction_rates, 1, -1)  # (domains, nuclides, reactions, groups)
+
+        # Divide RR by flux to get microscopic cross sections. The indexing
+        # ensures that only non-zero flux values are used, and broadcasting is
+        # applied to align the shapes of reaction_rates and flux for division.
+        xs = np.empty_like(reaction_rates) # (domains, nuclides, reactions, groups)
+        d, _, _, g = np.nonzero(flux)
+        xs[d, ..., g] = reaction_rates[d, ..., g] / flux[d, :, :, g]
+
+        # Create lists where each item corresponds to one domain
+        micros = [MicroXS(xs_i, nuclides, reactions) for xs_i in xs]
+    else:
+        micros = [MicroXS.from_multigroup_flux(
+            energies=energies,
+            multigroup_flux=flux_i,
+            chain_file=chain_file,
+            nuclides=nuclides,
+            reactions=reactions
+        ) for flux_i in fluxes]
 
     # Reset tallies
     model.tallies = original_tallies
 
-    # Create lists where each item corresponds to one domain
-    fluxes = list(flux.squeeze((1, 2)))
-    micros = [MicroXS(xs_i, nuclides, reactions) for xs_i in xs]
     return fluxes, micros
 
 
@@ -230,7 +292,7 @@ class MicroXS:
         ----------
         energies : iterable of float or str
             Energy group boundaries in [eV] or the name of the group structure
-        multi_group_flux : iterable of float
+        multigroup_flux : iterable of float
             Energy-dependent multigroup flux values
         chain_file : PathLike or Chain, optional
             Path to the depletion chain XML file or an instance of
diff --git a/openmc/filter_expansion.py b/openmc/filter_expansion.py
index f8e677578..cdb2f20e0 100644
--- a/openmc/filter_expansion.py
+++ b/openmc/filter_expansion.py
@@ -3,7 +3,7 @@ from numbers import Integral, Real
 import lxml.etree as ET
 
 import openmc.checkvalue as cv
-from . import Filter
+from .filter import Filter
 
 
 class ExpansionFilter(Filter):
diff --git a/tests/regression_tests/microxs/test.py b/tests/regression_tests/microxs/test.py
index a35150a1b..70833bb39 100644
--- a/tests/regression_tests/microxs/test.py
+++ b/tests/regression_tests/microxs/test.py
@@ -13,55 +13,56 @@ CHAIN_FILE = Path(__file__).parents[2] / "chain_simple.xml"
 @pytest.fixture(scope="module")
 def model():
     fuel = openmc.Material(name="uo2")
-    fuel.add_element("U", 1, percent_type="ao", enrichment=4.25)
-    fuel.add_element("O", 2)
+    fuel.add_nuclide("U235", 1.0)
+    fuel.add_nuclide("O16", 2.0)
     fuel.set_density("g/cc", 10.4)
 
-    clad = openmc.Material(name="clad")
-    clad.add_element("Zr", 1)
-    clad.set_density("g/cc", 6)
-
-    water = openmc.Material(name="water")
-    water.add_element("O", 1)
-    water.add_element("H", 2)
-    water.set_density("g/cc", 1.0)
-    water.add_s_alpha_beta("c_H_in_H2O")
-
-    radii = [0.42, 0.45]
-    fuel.volume = np.pi * radii[0] ** 2
-
-    materials = openmc.Materials([fuel, clad, water])
-
-    pin_surfaces = [openmc.ZCylinder(r=r) for r in radii]
-    pin_univ = openmc.model.pin(pin_surfaces, materials)
-    bound_box = openmc.model.RectangularPrism(1.24, 1.24, boundary_type="reflective")
-    root_cell = openmc.Cell(fill=pin_univ, region=-bound_box)
-    geometry = openmc.Geometry([root_cell])
+    sphere = openmc.Sphere(r=10.0, boundary_type='vacuum')
+    cell = openmc.Cell(region=-sphere, fill=fuel)
+    geometry = openmc.Geometry([cell])
 
     settings = openmc.Settings()
     settings.particles = 1000
     settings.inactive = 5
     settings.batches = 10
 
-    return openmc.Model(geometry, materials, settings)
+    return openmc.Model(geometry, settings=settings)
 
 
-@pytest.mark.parametrize("domain_type", ["materials", "mesh"])
-def test_from_model(model, domain_type):
+@pytest.mark.parametrize(
+    "domain_type, rr_mode",
+    [
+        ("materials", "direct"),
+        ("materials", "flux"),
+        ("mesh", "direct"),
+        ("mesh", "flux"),
+    ]
+)
+def test_from_model(model, domain_type, rr_mode):
     if domain_type == 'materials':
-        domains = model.materials[:1]
+        domains = list(model.geometry.get_all_materials().values())
     elif domain_type == 'mesh':
         mesh = openmc.RegularMesh()
-        mesh.lower_left = (-0.62, -0.62)
-        mesh.upper_right = (0.62, 0.62)
-        mesh.dimension = (3, 3)
+        mesh.lower_left = (-10., -10.)
+        mesh.upper_right = (10., 10.)
+        mesh.dimension = (1, 1)
         domains = mesh
-    nuclides = ['U234', 'U235', 'U238', 'U236', 'O16', 'O17', 'I135', 'Xe135',
-                'Xe136', 'Cs135', 'Gd157', 'Gd156']
-    _, test_xs = get_microxs_and_flux(model, domains, nuclides, chain_file=CHAIN_FILE)
+    nuclides = ['U235', 'O16', 'Xe135']
+    kwargs = {
+        'reaction_rate_mode': rr_mode,
+        'chain_file': CHAIN_FILE,
+        'path_statepoint': 'neutron_transport.h5',
+    }
+    if rr_mode == 'flux':
+        kwargs['energies'] = 'CASMO-40'
+    _, test_xs = get_microxs_and_flux(model, domains, nuclides, **kwargs)
     if config['update']:
-        test_xs[0].to_csv(f'test_reference_{domain_type}.csv')
-
-    ref_xs = MicroXS.from_csv(f'test_reference_{domain_type}.csv')
+        test_xs[0].to_csv(f'test_reference_{domain_type}_{rr_mode}.csv')
 
+    # Make sure results match reference results
+    ref_xs = MicroXS.from_csv(f'test_reference_{domain_type}_{rr_mode}.csv')
     np.testing.assert_allclose(test_xs[0].data, ref_xs.data, rtol=1e-11)
+
+    # Make sure statepoint file was saved
+    assert Path('neutron_transport.h5').exists()
+    Path('neutron_transport.h5').unlink()
diff --git a/tests/regression_tests/microxs/test_reference_materials.csv b/tests/regression_tests/microxs/test_reference_materials.csv
deleted file mode 100644
index 3e679f980..000000000
--- a/tests/regression_tests/microxs/test_reference_materials.csv
+++ /dev/null
@@ -1,25 +0,0 @@
-nuclides,reactions,groups,xs
-U234,"(n,gamma)",1,21.418670317831076
-U234,fission,1,0.5014588470882162
-U235,"(n,gamma)",1,10.343944102483215
-U235,fission,1,47.46718472611895
-U238,"(n,gamma)",1,0.8741166723597229
-U238,fission,1,0.10829568455139067
-U236,"(n,gamma)",1,9.08348678468935
-U236,fission,1,0.3325287927011424
-O16,"(n,gamma)",1,7.548646353912426e-05
-O16,fission,1,0.0
-O17,"(n,gamma)",1,0.00040184862213103105
-O17,fission,1,0.0
-I135,"(n,gamma)",1,6.691256508942912
-I135,fission,1,0.0
-Xe135,"(n,gamma)",1,223998.6418566729
-Xe135,fission,1,0.0
-Xe136,"(n,gamma)",1,0.022934362666193503
-Xe136,fission,1,0.0
-Cs135,"(n,gamma)",1,2.2845395222353204
-Cs135,fission,1,0.0
-Gd157,"(n,gamma)",1,12582.07962003624
-Gd157,fission,1,0.0
-Gd156,"(n,gamma)",1,2.942112751533234
-Gd156,fission,1,0.0
diff --git a/tests/regression_tests/microxs/test_reference_materials_direct.csv b/tests/regression_tests/microxs/test_reference_materials_direct.csv
new file mode 100644
index 000000000..3259d0151
--- /dev/null
+++ b/tests/regression_tests/microxs/test_reference_materials_direct.csv
@@ -0,0 +1,7 @@
+nuclides,reactions,groups,xs
+U235,"(n,gamma)",1,0.14765501510184456
+U235,fission,1,1.2517200956290817
+O16,"(n,gamma)",1,0.00010872314985710938
+O16,fission,1,0.0
+Xe135,"(n,gamma)",1,0.014333667335215764
+Xe135,fission,1,0.0
diff --git a/tests/regression_tests/microxs/test_reference_materials_flux.csv b/tests/regression_tests/microxs/test_reference_materials_flux.csv
new file mode 100644
index 000000000..5023e0d0e
--- /dev/null
+++ b/tests/regression_tests/microxs/test_reference_materials_flux.csv
@@ -0,0 +1,7 @@
+nuclides,reactions,groups,xs
+U235,"(n,gamma)",1,0.15018326758942505
+U235,fission,1,1.2603151141390958
+O16,"(n,gamma)",1,0.00012159621938463765
+O16,fission,1,0.0
+Xe135,"(n,gamma)",1,0.015180177095633546
+Xe135,fission,1,0.0
diff --git a/tests/regression_tests/microxs/test_reference_mesh.csv b/tests/regression_tests/microxs/test_reference_mesh.csv
deleted file mode 100644
index 1882372b1..000000000
--- a/tests/regression_tests/microxs/test_reference_mesh.csv
+++ /dev/null
@@ -1,25 +0,0 @@
-nuclides,reactions,groups,xs
-U234,"(n,gamma)",1,27.027171724208227
-U234,fission,1,0.04333740860093498
-U235,"(n,gamma)",1,12.683875995776193
-U235,fission,1,4.2596665957162605
-U238,"(n,gamma)",1,4.479719141496804
-U238,fission,1,0.009460665924409056
-U236,"(n,gamma)",1,8.469286849810802
-U236,fission,1,0.027373590840715795
-O16,"(n,gamma)",1,7.478160204479271e-05
-O16,fission,1,0.0
-O17,"(n,gamma)",1,0.0004743959164164789
-O17,fission,1,0.0
-I135,"(n,gamma)",1,8.33959524761822
-I135,fission,1,0.0
-Xe135,"(n,gamma)",1,282068.447252079
-Xe135,fission,1,0.0
-Xe136,"(n,gamma)",1,0.02888928065916194
-Xe136,fission,1,0.0
-Cs135,"(n,gamma)",1,2.5863526577468408
-Cs135,fission,1,0.0
-Gd157,"(n,gamma)",1,16518.24083307153
-Gd157,fission,1,0.0
-Gd156,"(n,gamma)",1,2.838514589417232
-Gd156,fission,1,0.0
diff --git a/tests/regression_tests/microxs/test_reference_mesh_direct.csv b/tests/regression_tests/microxs/test_reference_mesh_direct.csv
new file mode 100644
index 000000000..bd07a3237
--- /dev/null
+++ b/tests/regression_tests/microxs/test_reference_mesh_direct.csv
@@ -0,0 +1,7 @@
+nuclides,reactions,groups,xs
+U235,"(n,gamma)",1,0.14765501510184456
+U235,fission,1,1.2517200956290815
+O16,"(n,gamma)",1,0.00010872314985710936
+O16,fission,1,0.0
+Xe135,"(n,gamma)",1,0.014333667335215761
+Xe135,fission,1,0.0
diff --git a/tests/regression_tests/microxs/test_reference_mesh_flux.csv b/tests/regression_tests/microxs/test_reference_mesh_flux.csv
new file mode 100644
index 000000000..d946ada80
--- /dev/null
+++ b/tests/regression_tests/microxs/test_reference_mesh_flux.csv
@@ -0,0 +1,7 @@
+nuclides,reactions,groups,xs
+U235,"(n,gamma)",1,0.15018326758942507
+U235,fission,1,1.2603151141390958
+O16,"(n,gamma)",1,0.00012159621938463766
+O16,fission,1,0.0
+Xe135,"(n,gamma)",1,0.015180177095633546
+Xe135,fission,1,0.0

From ecfb666db735544dd6a76b88c02f57049111cbf2 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 1 Jul 2025 09:03:28 -0500
Subject: [PATCH 2344/2654] Allow spatial constraints on element sources within
 MeshSource (#3431)

---
 include/openmc/source.h              | 29 +++++++---
 src/source.cpp                       | 53 ++++++++++--------
 tests/unit_tests/test_source_mesh.py | 81 ++++++++++++++--------------
 3 files changed, 94 insertions(+), 69 deletions(-)

diff --git a/include/openmc/source.h b/include/openmc/source.h
index e82c42269..d58195f10 100644
--- a/include/openmc/source.h
+++ b/include/openmc/source.h
@@ -139,6 +139,9 @@ public:
   DomainType domain_type() const { return domain_type_; }
   const std::unordered_set<int32_t>& domain_ids() const { return domain_ids_; }
 
+  // Setter for spatial distribution
+  void set_space(UPtrSpace space) { space_ = std::move(space); }
+
 protected:
   // Indicates whether derived class already handles constraints
   bool constraints_applied() const override { return true; }
@@ -205,6 +208,23 @@ typedef unique_ptr<Source> create_compiled_source_t(std::string parameters);
 //! Mesh-based source with different distributions for each element
 //==============================================================================
 
+// Helper class to sample spatial position on a single mesh element
+class MeshElementSpatial : public SpatialDistribution {
+public:
+  MeshElementSpatial(int32_t mesh_index, int elem_index)
+    : mesh_index_(mesh_index), elem_index_(elem_index)
+  {}
+
+  //! Sample a position from the distribution
+  //! \param seed Pseudorandom number seed pointer
+  //! \return Sampled position
+  Position sample(uint64_t* seed) const override;
+
+private:
+  int32_t mesh_index_ {C_NONE}; //!< Index in global meshes array
+  int elem_index_;              //! Index of mesh element
+};
+
 class MeshSource : public Source {
 public:
   // Constructors
@@ -219,18 +239,15 @@ public:
   double strength() const override { return space_->total_strength(); }
 
   // Accessors
-  const std::unique_ptr<Source>& source(int32_t i) const
+  const unique_ptr<IndependentSource>& source(int32_t i) const
   {
     return sources_.size() == 1 ? sources_[0] : sources_[i];
   }
 
-protected:
-  bool constraints_applied() const override { return true; }
-
 private:
   // Data members
-  unique_ptr<MeshSpatial> space_;           //!< Mesh spatial
-  vector<std::unique_ptr<Source>> sources_; //!< Source distributions
+  unique_ptr<MeshSpatial> space_;                 //!< Mesh spatial
+  vector<unique_ptr<IndependentSource>> sources_; //!< Source distributions
 };
 
 //==============================================================================
diff --git a/src/source.cpp b/src/source.cpp
index 6ee0b5603..65873f5a7 100644
--- a/src/source.cpp
+++ b/src/source.cpp
@@ -239,7 +239,9 @@ bool Source::satisfies_spatial_constraints(Position r) const
   if (!domain_ids_.empty()) {
     if (domain_type_ == DomainType::MATERIAL) {
       auto mat_index = geom_state.material();
-      if (mat_index != MATERIAL_VOID) {
+      if (mat_index == MATERIAL_VOID) {
+        accepted = false;
+      } else {
         accepted = contains(domain_ids_, model::materials[mat_index]->id());
       }
     } else {
@@ -525,6 +527,15 @@ CompiledSourceWrapper::~CompiledSourceWrapper()
 #endif
 }
 
+//==============================================================================
+// MeshElementSpatial implementation
+//==============================================================================
+
+Position MeshElementSpatial::sample(uint64_t* seed) const
+{
+  return model::meshes[mesh_index_]->sample_element(elem_index_, seed);
+}
+
 //==============================================================================
 // MeshSource implementation
 //==============================================================================
@@ -539,10 +550,23 @@ MeshSource::MeshSource(pugi::xml_node node) : Source(node)
   // read all source distributions and populate strengths vector for MeshSpatial
   // object
   for (auto source_node : node.children("source")) {
-    sources_.emplace_back(Source::create(source_node));
+    auto src = Source::create(source_node);
+    if (auto ptr = dynamic_cast<IndependentSource*>(src.get())) {
+      src.release();
+      sources_.emplace_back(ptr);
+    } else {
+      fatal_error(
+        "The source assigned to each element must be an IndependentSource.");
+    }
     strengths.push_back(sources_.back()->strength());
   }
 
+  // Set spatial distributions for each mesh element
+  for (int elem_index = 0; elem_index < sources_.size(); ++elem_index) {
+    sources_[elem_index]->set_space(
+      std::make_unique<MeshElementSpatial>(mesh_idx, elem_index));
+  }
+
   // the number of source distributions should either be one or equal to the
   // number of mesh elements
   if (sources_.size() > 1 && sources_.size() != mesh->n_bins()) {
@@ -556,29 +580,12 @@ MeshSource::MeshSource(pugi::xml_node node) : Source(node)
 
 SourceSite MeshSource::sample(uint64_t* seed) const
 {
-  // Sample the CDF defined in initialization above
+  // Sample a mesh element based on the relative strengths
   int32_t element = space_->sample_element_index(seed);
 
-  // Sample position and apply rejection on spatial domains
-  Position r;
-  do {
-    r = space_->mesh()->sample_element(element, seed);
-  } while (!this->satisfies_spatial_constraints(r));
-
-  SourceSite site;
-  while (true) {
-    // Sample source for the chosen element and replace the position
-    site = source(element)->sample_with_constraints(seed);
-    site.r = r;
-
-    // Apply other rejections
-    if (satisfies_energy_constraints(site.E) &&
-        satisfies_time_constraints(site.time)) {
-      break;
-    }
-  }
-
-  return site;
+  // Sample the distribution for the specific mesh element; note that the
+  // spatial distribution has been set for each element using MeshElementSpatial
+  return source(element)->sample_with_constraints(seed);
 }
 
 //==============================================================================
diff --git a/tests/unit_tests/test_source_mesh.py b/tests/unit_tests/test_source_mesh.py
index d023c1335..2550cb87e 100644
--- a/tests/unit_tests/test_source_mesh.py
+++ b/tests/unit_tests/test_source_mesh.py
@@ -1,5 +1,7 @@
 from itertools import product
 from pathlib import Path
+from math import sqrt
+import random
 
 import pytest
 import numpy as np
@@ -334,13 +336,10 @@ def test_umesh_source_independent(run_in_tmpdir, request, void_model, library):
     n_elements = 12_000
     model.settings.source = openmc.MeshSource(uscd_mesh, n_elements*[ind_source])
     model.export_to_model_xml()
-    try:
-        openmc.lib.init()
+    with openmc.lib.run_in_memory():
         openmc.lib.simulation_init()
         sites = openmc.lib.sample_external_source(10)
         openmc.lib.statepoint_write('statepoint.h5')
-    finally:
-        openmc.lib.finalize()
 
     with openmc.StatePoint('statepoint.h5') as sp:
         uscd_mesh = sp.meshes[uscd_mesh.id]
@@ -351,51 +350,53 @@ def test_umesh_source_independent(run_in_tmpdir, request, void_model, library):
         assert site.r in bounding_box
 
 
-def test_mesh_source_file(run_in_tmpdir):
-    # Creating a source file with a single particle
-    source_particle = openmc.SourceParticle(time=10.0)
-    openmc.write_source_file([source_particle], 'source.h5')
-    file_source = openmc.FileSource('source.h5')
+def test_mesh_source_constraints(run_in_tmpdir):
+    """Test application of constraints to underlying mesh element sources"""
 
+    # Create simple model with two cells
+    m1 = openmc.Material()
+    m1.add_nuclide('H1', 1.0)
+    m2 = m1.clone()
+    sph = openmc.Sphere(r=100, boundary_type='vacuum')
+    box1 = openmc.model.RectangularParallelepiped(-1, 0, -1, 1, -1, 1)
+    box2 = openmc.model.RectangularParallelepiped(0, 2, -1, 1, -1, 1)
+    cell1 = openmc.Cell(fill=m1, region=-box1)
+    cell2 = openmc.Cell(fill=m2, region=-box2)
+    outer = openmc.Cell(region=-sph & (+box1 | +box2))
     model = openmc.Model()
+    model.geometry = openmc.Geometry([cell1, cell2, outer])
 
-    rect_prism = openmc.model.RectangularParallelepiped(
-        -5.0, 5.0, -5.0, 5.0, -5.0, 5.0, boundary_type='vacuum')
-
-    mat = openmc.Material()
-    mat.add_nuclide('H1', 1.0)
-
-    model.geometry = openmc.Geometry([openmc.Cell(fill=mat, region=-rect_prism)])
-    model.settings.particles = 1000
-    model.settings.batches = 10
-    model.settings.run_mode = 'fixed source'
-
+    # Define a mesh covering the two cells: the first mesh element contains
+    # cell1 (-1 < x < 0) and the second element contains cells2 (0 < x < 2)
     mesh = openmc.RegularMesh()
-    mesh.lower_left = (-1, -2, -3)
-    mesh.upper_right = (2, 3, 4)
-    mesh.dimension = (1, 1, 1)
+    mesh.lower_left = (-3., -1., -1.)
+    mesh.upper_right = (3., 1., 1.)
+    mesh.dimension = (2, 1, 1)
 
-    model.settings.source = openmc.MeshSource(mesh, [file_source])
+    # Define a mesh source with a randomly chosen probability
+    p = random.random()
+    src1 = openmc.IndependentSource(strength=p, constraints={'domains': [cell1]})
+    src2 = openmc.IndependentSource(strength=1 - p, constraints={'domains': [cell2]})
+    model.settings.source = openmc.MeshSource(mesh, [src1, src2])
 
+    # Finish settings and export
+    model.settings.particles = 100
+    model.settings.batches = 1
     model.export_to_model_xml()
 
-    openmc.lib.init()
-    openmc.lib.simulation_init()
-    sites = openmc.lib.sample_external_source(10)
-    openmc.lib.simulation_finalize()
-    openmc.lib.finalize()
+    with openmc.lib.run_in_memory():
+        # Sample sites from the source
+        sites = openmc.lib.sample_external_source(N := 1000)
 
-    # The mesh bounds do not contain the point of the lone source site in the
-    # file source, so it should not appear in the set of source sites produced
-    # from the mesh source. Additionally, the source should be located within
-    # the mesh
-    bbox = mesh.bounding_box
-    for site in sites:
-        assert site.r != (0, 0, 0)
-        assert site.E == source_particle.E
-        assert site.u == source_particle.u
-        assert site.time == source_particle.time
-        assert site.r in bbox
+        # Check that all sites are either in cell1 or cell2
+        xs = np.array([s.r[0] for s in sites])
+        assert (xs >= -1.0).all()
+        assert (xs <= 2.0).all()
+
+        # Check that the correct percentage of the sites are in cell1
+        sigma = sqrt(p*(1- p)/N)
+        frac = xs[(-1.0 <= xs) & (xs <= 0.0)].size / N
+        assert frac == pytest.approx(p, abs=5*sigma)
 
 
 @pytest.mark.parametrize("mesh_type", ('rectangular', 'cylindrical', 'spherical'))

From eb74d497d2cfa784d9d628a79fda9f4c509b87d4 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 1 Jul 2025 12:43:45 -0500
Subject: [PATCH 2345/2654] Introduce `openmc.lib.TemporarySession` context
 manager (#3475)

---
 docs/source/pythonapi/capi.rst         |  1 +
 openmc/deplete/chain.py                | 57 ++++++++++++++++------
 openmc/deplete/microxs.py              | 51 ++++++++------------
 openmc/lib/core.py                     | 65 ++++++++++++++++++++++++++
 openmc/lib/nuclide.py                  |  6 +++
 openmc/mesh.py                         | 37 +++++++--------
 openmc/weight_windows.py               | 10 ++--
 src/nuclide.cpp                        |  3 +-
 tests/unit_tests/test_deplete_chain.py |  6 +--
 9 files changed, 160 insertions(+), 76 deletions(-)

diff --git a/docs/source/pythonapi/capi.rst b/docs/source/pythonapi/capi.rst
index 63fc5d11b..67eca0094 100644
--- a/docs/source/pythonapi/capi.rst
+++ b/docs/source/pythonapi/capi.rst
@@ -89,6 +89,7 @@ Classes
    SphericalMesh
    SurfaceFilter
    Tally
+   TemporarySession
    UniverseFilter
    UnstructuredMesh
    WeightFilter
diff --git a/openmc/deplete/chain.py b/openmc/deplete/chain.py
index 07db48799..8e24f716b 100644
--- a/openmc/deplete/chain.py
+++ b/openmc/deplete/chain.py
@@ -11,6 +11,7 @@ import re
 from collections import defaultdict, namedtuple
 from collections.abc import Mapping, Iterable
 from numbers import Real, Integral
+from pathlib import Path
 from warnings import warn
 from typing import List
 
@@ -278,7 +279,6 @@ class Chain:
         """Number of nuclides in chain."""
         return len(self.nuclides)
 
-
     @property
     def stable_nuclides(self) -> List[Nuclide]:
         """List of stable nuclides available in the chain"""
@@ -298,6 +298,7 @@ class Chain:
             Nuclide to add
 
         """
+        _invalidate_chain_cache(self)
         self.nuclide_dict[nuclide.name] = len(self.nuclides)
         self.nuclides.append(nuclide)
 
@@ -463,7 +464,6 @@ class Chain:
                     nuclide.add_reaction('fission', None, q_value, 1.0)
                     fissionable = True
 
-
             if fissionable:
                 if parent in fpy_data:
                     fpy = fpy_data[parent]
@@ -558,6 +558,9 @@ class Chain:
             nuc = Nuclide.from_xml(nuclide_elem, root, this_q)
             chain.add_nuclide(nuc)
 
+        # Store path of XML file (used for handling cache invalidation)
+        chain._xml_path = str(Path(filename).resolve())
+
         return chain
 
     def export_to_xml(self, filename):
@@ -888,7 +891,7 @@ class Chain:
         --------
         :meth:`get_branch_ratios`
         """
-
+        _invalidate_chain_cache(self)
         # Store some useful information through the validation stage
 
         sums = {}
@@ -1027,6 +1030,7 @@ class Chain:
 
     @fission_yields.setter
     def fission_yields(self, yields):
+        _invalidate_chain_cache(self)
         if yields is not None:
             if isinstance(yields, Mapping):
                 yields = [yields]
@@ -1249,6 +1253,10 @@ class Chain:
         return found
 
 
+# A global cache for Chain objects
+_CHAIN_CACHE = {}
+
+
 def _get_chain(
     chain_file: PathLike | Chain | None = None,
     fission_q: dict | None = None
@@ -1269,16 +1277,39 @@ def _get_chain(
     Chain
         Depletion chain instance.
     """
+    # If chain_file is already a Chain, return it directly
     if isinstance(chain_file, Chain):
         return chain_file
-    elif isinstance(chain_file, PathLike | None):
-        if chain_file is None:
-            chain_file = openmc.config.get('chain_file')
-            if 'chain_file' not in openmc.config:
-                raise DataError(
-                    "No depletion chain specified and could not find depletion "
-                    "chain in openmc.config['chain_file']"
-                )
-        return Chain.from_xml(chain_file, fission_q)
-    else:
+
+    # Resolve chain_file based on config if None
+    if chain_file is None:
+        chain_file = openmc.config.get('chain_file')
+        if 'chain_file' not in openmc.config:
+            raise DataError(
+                "No depletion chain specified and could not find depletion "
+                "chain in openmc.config['chain_file']"
+            )
+    elif not isinstance(chain_file, PathLike):
         raise TypeError("chain_file must be path-like, a Chain, or None")
+
+    # Determine the key for the cache, which consists of the absolute path, the
+    # file modification time, the file size, and the fission Q values.
+    chain_path = Path(chain_file).resolve()
+    stat_result = chain_path.stat()
+    fq_tuple = tuple(sorted(fission_q.items())) if fission_q else ()
+    key = (chain_path, stat_result.st_mtime, stat_result.st_size, fq_tuple)
+
+    # Check the global cache. If not cached, load the chain from XML and store
+    global _CHAIN_CACHE
+    if key not in _CHAIN_CACHE:
+        _CHAIN_CACHE[key] = Chain.from_xml(chain_path, fission_q)
+    return _CHAIN_CACHE[key]
+
+
+def _invalidate_chain_cache(chain):
+    """Invalidate the cache for a specific Chain (when it is modifed)."""
+    if hasattr(chain, '_xml_path'):
+        # Remove all entries with the same path as self._xml_path
+        for key in list(_CHAIN_CACHE.keys()):
+            if str(key[0]) == chain._xml_path:
+                del _CHAIN_CACHE[key]
diff --git a/openmc/deplete/microxs.py b/openmc/deplete/microxs.py
index cbc8b1c88..df78f8a26 100644
--- a/openmc/deplete/microxs.py
+++ b/openmc/deplete/microxs.py
@@ -14,7 +14,6 @@ import pandas as pd
 import numpy as np
 
 from openmc.checkvalue import check_type, check_value, check_iterable_type, PathLike
-from openmc.utility_funcs import change_directory
 from openmc import StatePoint
 from openmc.mgxs import GROUP_STRUCTURES
 from openmc.data import REACTION_MT
@@ -286,6 +285,10 @@ class MicroXS:
         sections available. MicroXS entry will be 0 if the nuclide cross section
         is not found.
 
+        It is recommended to make repeated calls to this method within a context
+        manager using the :class:`openmc.lib.TemporarySession` class to avoid
+        re-initializing OpenMC and loading cross sections each time.
+
         .. versionadded:: 0.15.0
 
         Parameters
@@ -349,37 +352,23 @@ class MicroXS:
         # Create 3D array for microscopic cross sections
         microxs_arr = np.zeros((len(nuclides), len(mts), 1))
 
-        # Create a material with all nuclides
-        mat_all_nucs = openmc.Material()
-        for nuc in nuclides:
-            if nuc in nuclides_with_data:
-                mat_all_nucs.add_nuclide(nuc, 1.0)
-        mat_all_nucs.set_density("atom/b-cm", 1.0)
+        def compute_microxs():
+            # For each nuclide and reaction, compute the flux-averaged xs
+            for nuc_index, nuc in enumerate(nuclides):
+                if nuc not in nuclides_with_data:
+                    continue
+                lib_nuc = openmc.lib.load_nuclide(nuc)
+                for mt_index, mt in enumerate(mts):
+                    microxs_arr[nuc_index, mt_index, 0] = lib_nuc.collapse_rate(
+                        mt, temperature, energies, multigroup_flux
+                    )
 
-        # Create simple model containing the above material
-        surf1 = openmc.Sphere(boundary_type="vacuum")
-        surf1_cell = openmc.Cell(fill=mat_all_nucs, region=-surf1)
-        model = openmc.Model()
-        model.geometry = openmc.Geometry([surf1_cell])
-        model.settings = openmc.Settings(
-            particles=1, batches=1, output={'summary': False})
-
-        with change_directory(tmpdir=True):
-            # Export model within temporary directory
-            model.export_to_model_xml()
-
-            with openmc.lib.run_in_memory(**init_kwargs):
-                # For each nuclide and reaction, compute the flux-averaged
-                # cross section
-                for nuc_index, nuc in enumerate(nuclides):
-                    if nuc not in nuclides_with_data:
-                        continue
-                    lib_nuc = openmc.lib.nuclides[nuc]
-                    for mt_index, mt in enumerate(mts):
-                        xs = lib_nuc.collapse_rate(
-                            mt, temperature, energies, multigroup_flux
-                        )
-                        microxs_arr[nuc_index, mt_index, 0] = xs
+        # Compute microscopic cross sections within a temporary session
+        if not openmc.lib.is_initialized:
+            with openmc.lib.TemporarySession(**init_kwargs):
+                compute_microxs()
+        else:
+            compute_microxs()
 
         return cls(microxs_arr, nuclides, reactions)
 
diff --git a/openmc/lib/core.py b/openmc/lib/core.py
index 577913dcb..eac0e1784 100644
--- a/openmc/lib/core.py
+++ b/openmc/lib/core.py
@@ -4,7 +4,9 @@ from ctypes import (c_bool, c_int, c_int32, c_int64, c_double, c_char_p,
                     c_uint64, c_size_t)
 import sys
 import os
+from pathlib import Path
 from random import getrandbits
+from tempfile import TemporaryDirectory
 
 import numpy as np
 from numpy.ctypeslib import as_array
@@ -617,6 +619,69 @@ def run_in_memory(**kwargs):
         finalize()
 
 
+class TemporarySession:
+    """Context manager for running via openmc.lib in a temporary directory.
+
+    This class is useful for accessing functionality from openmc.lib without
+    polluting your current working directory with OpenMC files. It is used
+    internally as a persistent session to avoid loading cross sections multiple
+    times.
+
+    Parameters
+    ----------
+    model : openmc.Model, optional
+        OpenMC model to use for the session. If None, a minimal working model is
+        created.
+    **init_kwargs
+        Keyword arguments to pass to :func:`openmc.lib.init`.
+
+    Attributes
+    ----------
+    model : openmc.Model
+        The OpenMC model used for the session.
+
+    """
+    def __init__(self, model=None, **init_kwargs):
+        self.init_kwargs = init_kwargs
+        if model is None:
+            surf = openmc.Sphere(boundary_type="vacuum")
+            cell = openmc.Cell(region=-surf)
+            model = openmc.Model()
+            model.geometry = openmc.Geometry([cell])
+            model.settings = openmc.Settings(
+                particles=1, batches=1, output={'summary': False})
+        self.model = model
+
+    def __enter__(self):
+        """Initialize the OpenMC library in a temporary directory."""
+        # Make sure OpenMC is not already initialized
+        if openmc.lib.is_initialized:
+            raise RuntimeError("openmc.lib is already initialized.")
+
+        # Store original working directory
+        self.orig_dir = Path.cwd()
+
+        # Set up temporary directory
+        self.tmp_dir = TemporaryDirectory()
+        working_dir = Path(self.tmp_dir.name)
+        working_dir.mkdir(parents=True, exist_ok=True)
+        os.chdir(working_dir)
+
+        # Export model and initialize OpenMC
+        self.model.export_to_model_xml()
+        openmc.lib.init(**self.init_kwargs)
+
+        return self
+
+    def __exit__(self, exc_type, exc_value, traceback):
+        """Finalize the OpenMC library and clean up temporary directory."""
+        try:
+            openmc.lib.finalize()
+        finally:
+            os.chdir(self.orig_dir)
+            self.tmp_dir.cleanup()
+
+
 class _DLLGlobal:
     """Data descriptor that exposes global variables from libopenmc."""
     def __init__(self, ctype, name):
diff --git a/openmc/lib/nuclide.py b/openmc/lib/nuclide.py
index 8078882cf..ef1287cf3 100644
--- a/openmc/lib/nuclide.py
+++ b/openmc/lib/nuclide.py
@@ -40,8 +40,14 @@ def load_nuclide(name):
     name : str
         Name of the nuclide, e.g. 'U235'
 
+    Returns
+    -------
+    Nuclide
+        The class:`Nuclide` that was just loaded.
+
     """
     _dll.openmc_load_nuclide(name.encode(), None, 0)
+    return nuclides[name]
 
 
 class Nuclide(_FortranObject):
diff --git a/openmc/mesh.py b/openmc/mesh.py
index b046769fd..56fe2bd1c 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -400,31 +400,30 @@ class MeshBase(IDManagerMixin, ABC):
         """
         import openmc.lib
 
-        with change_directory(tmpdir=True):
-            # In order to get mesh into model, we temporarily replace the
-            # tallies with a single mesh tally using the current mesh
-            original_tallies = model.tallies
-            new_tally = openmc.Tally()
-            new_tally.filters = [openmc.MeshFilter(self)]
-            new_tally.scores = ['flux']
-            model.tallies = [new_tally]
+        # In order to get mesh into model, we temporarily replace the
+        # tallies with a single mesh tally using the current mesh
+        original_tallies = model.tallies
+        new_tally = openmc.Tally()
+        new_tally.filters = [openmc.MeshFilter(self)]
+        new_tally.scores = ['flux']
+        model.tallies = [new_tally]
 
-            # Export model to XML
-            model.export_to_model_xml()
+        # Set default arguments
+        kwargs.setdefault('output', True)
+        if 'args' in kwargs:
+            kwargs['args'] = ['-c'] + kwargs['args']
+        kwargs.setdefault('args', ['-c'])
 
-            # Get material volume fractions
-            kwargs.setdefault('output', True)
-            if 'args' in kwargs:
-                kwargs['args'] = ['-c'] + kwargs['args']
-            kwargs.setdefault('args', ['-c'])
-            openmc.lib.init(**kwargs)
+        with openmc.lib.TemporarySession(model, **kwargs):
+            # Get mesh from single tally
             mesh = openmc.lib.tallies[new_tally.id].filters[0].mesh
+
+            # Compute material volumes
             volumes = mesh.material_volumes(
                 n_samples, max_materials, output=kwargs['output'])
-            openmc.lib.finalize()
 
-            # Restore original tallies
-            model.tallies = original_tallies
+        # Restore original tallies
+        model.tallies = original_tallies
 
         return volumes
 
diff --git a/openmc/weight_windows.py b/openmc/weight_windows.py
index 1b44747d5..90856ebab 100644
--- a/openmc/weight_windows.py
+++ b/openmc/weight_windows.py
@@ -1041,10 +1041,6 @@ class WeightWindowsList(list):
         # Get absolute path before moving to temporary directory
         path = Path(path).resolve()
 
-        with change_directory(tmpdir=True):
-            # Write the model to an XML file
-            model.export_to_model_xml()
-
-            # Load the model with openmc.lib and then export it to an HDF5 file
-            with openmc.lib.run_in_memory(**init_kwargs):
-                openmc.lib.export_weight_windows(path)
+        # Load the model with openmc.lib and then export it to an HDF5 file
+        with openmc.lib.TemporarySession(model, **init_kwargs):
+            openmc.lib.export_weight_windows(path)
diff --git a/src/nuclide.cpp b/src/nuclide.cpp
index eaac2f756..7cb84640d 100644
--- a/src/nuclide.cpp
+++ b/src/nuclide.cpp
@@ -1114,7 +1114,7 @@ extern "C" size_t nuclides_size()
 extern "C" int openmc_load_nuclide(const char* name, const double* temps, int n)
 {
   if (data::nuclide_map.find(name) == data::nuclide_map.end() ||
-      data::nuclide_map.at(name) >= data::elements.size()) {
+      data::nuclide_map.at(name) >= data::nuclides.size()) {
     LibraryKey key {Library::Type::neutron, name};
     const auto& it = data::library_map.find(key);
     if (it == data::library_map.end()) {
@@ -1215,7 +1215,6 @@ extern "C" int openmc_nuclide_collapse_rate(int index, int MT,
     *xs = data::nuclides[index]->collapse_rate(
       MT, temperature, {energy, energy + n + 1}, {flux, flux + n});
   } catch (const std::out_of_range& e) {
-    fmt::print("Caught error\n");
     set_errmsg(e.what());
     return OPENMC_E_OUT_OF_BOUNDS;
   }
diff --git a/tests/unit_tests/test_deplete_chain.py b/tests/unit_tests/test_deplete_chain.py
index 13267cb05..bd5cc2263 100644
--- a/tests/unit_tests/test_deplete_chain.py
+++ b/tests/unit_tests/test_deplete_chain.py
@@ -310,8 +310,7 @@ def test_capture_branch_infer_ground():
     # Create nuclide to be added into the chain
     xe136m = nuclide.Nuclide("Xe136_m1")
 
-    chain.nuclides.append(xe136m)
-    chain.nuclide_dict[xe136m.name] = len(chain.nuclides) - 1
+    chain.add_nuclide(xe136m)
 
     chain.set_branch_ratios(infer_br, "(n,gamma)")
 
@@ -327,8 +326,7 @@ def test_capture_branch_no_rxn():
 
     u5m = nuclide.Nuclide("U235_m1")
 
-    chain.nuclides.append(u5m)
-    chain.nuclide_dict[u5m.name] = len(chain.nuclides) - 1
+    chain.add_nuclide(u5m)
 
     with pytest.raises(AttributeError, match="U234"):
         chain.set_branch_ratios(u4br)

From 6636b7e32b3347c5846aa26c434138eda6f0ee84 Mon Sep 17 00:00:00 2001
From: GuySten <62616591+GuySten@users.noreply.github.com>
Date: Thu, 3 Jul 2025 06:52:39 +0300
Subject: [PATCH 2346/2654] fix zam parsing (#3484)

---
 openmc/data/data.py                | 2 +-
 tests/unit_tests/test_data_misc.py | 3 ++-
 2 files changed, 3 insertions(+), 2 deletions(-)

diff --git a/openmc/data/data.py b/openmc/data/data.py
index 8ccc8d263..2142a5dc9 100644
--- a/openmc/data/data.py
+++ b/openmc/data/data.py
@@ -607,7 +607,7 @@ def zam(name):
 
     """
     try:
-        symbol, A, state = _GNDS_NAME_RE.match(name).groups()
+        symbol, A, state = _GNDS_NAME_RE.fullmatch(name).groups()
     except AttributeError:
         raise ValueError(f"'{name}' does not appear to be a nuclide name in "
                          "GNDS format")
diff --git a/tests/unit_tests/test_data_misc.py b/tests/unit_tests/test_data_misc.py
index 226d848a5..b65c704af 100644
--- a/tests/unit_tests/test_data_misc.py
+++ b/tests/unit_tests/test_data_misc.py
@@ -131,7 +131,8 @@ def test_zam():
     assert openmc.data.zam('Am242_m10') == (95, 242, 10)
     with pytest.raises(ValueError):
         openmc.data.zam('garbage')
-
+    with pytest.raises(ValueError):
+        openmc.data.zam('Am242-m1')
 
 def test_half_life():
     assert openmc.data.half_life('H2') is None

From efcf8f649e7be1d709a308c587d67c8bd58db6b8 Mon Sep 17 00:00:00 2001
From: Micah Gale <mgale@fastmail.com>
Date: Thu, 3 Jul 2025 03:32:43 -0500
Subject: [PATCH 2347/2654] Added citation metadata file (#3409)

---
 CITATION.cff | 33 +++++++++++++++++++++++++++++++++
 1 file changed, 33 insertions(+)
 create mode 100644 CITATION.cff

diff --git a/CITATION.cff b/CITATION.cff
new file mode 100644
index 000000000..c1bc1443f
--- /dev/null
+++ b/CITATION.cff
@@ -0,0 +1,33 @@
+preferred-citation:
+  authors:
+  - family-names: Romano
+    given-names: Paul K.
+    orcid: "https://orcid.org/0000-0002-1147-045X"
+  - final-names: Horelik
+    given-names: Nicholas E.
+  - family-names: Herman
+    given-names: Bryan R.
+  - family-names: Nelson
+    given-names: Adam G.
+  - family-names: Forget
+    given-names: Benoit
+    orcid: "https://orcid.org/0000-0003-1459-7672"
+  - family-names: Smith
+    given-names: Kord
+  contact:
+  - family-names: Romano
+    given-names: Paul K.
+    orcid: "https://orcid.org/0000-0002-1147-045X"
+  date-published: 2015-08
+  doi: 10.1016/j.anucene.2014.07.048
+  issn: 1873-2100
+  volume: 82
+  journal: Annals of Nuclear Energy
+  publisher:
+    name: Elsevier
+  start: 90
+  title: "OpenMC: A state-of-the-art Monte Carlo code for research and development"
+  type: article
+  url: "https://www.sciencedirect.com/science/article/pii/S030645491400379X"
+  volume: 10
+

From b6c6ac078b391b3647510360529dcac0ac72c93a Mon Sep 17 00:00:00 2001
From: Nathan Glaser <123763273+nglaser3@users.noreply.github.com>
Date: Thu, 3 Jul 2025 09:49:25 -0500
Subject: [PATCH 2348/2654] Add flag to CMakeLists to use submodules instead of
 searching (#3480)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 CMakeLists.txt                     | 38 +++++++++++++++++++++++-------
 docs/source/usersguide/install.rst |  5 ++++
 2 files changed, 35 insertions(+), 8 deletions(-)

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 6665682dd..48f3bfc39 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -38,6 +38,7 @@ option(OPENMC_USE_LIBMESH     "Enable support for libMesh unstructured mesh tall
 option(OPENMC_USE_MPI         "Enable MPI"                                           OFF)
 option(OPENMC_USE_MCPL        "Enable MCPL"                                          OFF)
 option(OPENMC_USE_UWUW        "Enable UWUW"                                          OFF)
+option(OPENMC_FORCE_VENDORED_LIBS "Explicitly use submodules defined in 'vendor'"    OFF)
 
 message(STATUS "OPENMC_USE_OPENMP ${OPENMC_USE_OPENMP}")
 message(STATUS "OPENMC_BUILD_TESTS ${OPENMC_BUILD_TESTS}")
@@ -48,6 +49,7 @@ message(STATUS "OPENMC_USE_LIBMESH ${OPENMC_USE_LIBMESH}")
 message(STATUS "OPENMC_USE_MPI ${OPENMC_USE_MPI}")
 message(STATUS "OPENMC_USE_MCPL ${OPENMC_USE_MCPL}")
 message(STATUS "OPENMC_USE_UWUW ${OPENMC_USE_UWUW}")
+message(STATUS "OPENMC_FORCE_VENDORED_LIBS ${OPENMC_FORCE_VENDORED_LIBS}")
 
 # Warnings for deprecated options
 foreach(OLD_OPT IN ITEMS "openmp" "profile" "coverage" "dagmc" "libmesh")
@@ -256,31 +258,47 @@ endif()
 # pugixml library
 #===============================================================================
 
-find_package_write_status(pugixml)
-if (NOT pugixml_FOUND)
+if(OPENMC_FORCE_VENDORED_LIBS)
   add_subdirectory(vendor/pugixml)
   set_target_properties(pugixml PROPERTIES CXX_STANDARD 14 CXX_EXTENSIONS OFF)
+else()
+  find_package_write_status(pugixml)
+  if (NOT pugixml_FOUND)
+    add_subdirectory(vendor/pugixml)
+    set_target_properties(pugixml PROPERTIES CXX_STANDARD 14 CXX_EXTENSIONS OFF)
+  endif()
 endif()
 
 #===============================================================================
 # {fmt} library
 #===============================================================================
 
-find_package_write_status(fmt)
-if (NOT fmt_FOUND)
+if(OPENMC_FORCE_VENDORED_LIBS)
   set(FMT_INSTALL ON CACHE BOOL "Generate the install target.")
   add_subdirectory(vendor/fmt)
+else()
+  find_package_write_status(fmt)
+  if (NOT fmt_FOUND)
+    set(FMT_INSTALL ON CACHE BOOL "Generate the install target.")
+    add_subdirectory(vendor/fmt)
+  endif()
 endif()
 
 #===============================================================================
 # xtensor header-only library
 #===============================================================================
 
-find_package_write_status(xtensor)
-if (NOT xtensor_FOUND)
+if(OPENMC_FORCE_VENDORED_LIBS)
   add_subdirectory(vendor/xtl)
   set(xtl_DIR ${CMAKE_CURRENT_BINARY_DIR}/vendor/xtl)
   add_subdirectory(vendor/xtensor)
+else()
+  find_package_write_status(xtensor)
+  if (NOT xtensor_FOUND)
+    add_subdirectory(vendor/xtl)
+    set(xtl_DIR ${CMAKE_CURRENT_BINARY_DIR}/vendor/xtl)
+    add_subdirectory(vendor/xtensor)
+  endif()
 endif()
 
 #===============================================================================
@@ -288,9 +306,13 @@ endif()
 #===============================================================================
 
 if(OPENMC_BUILD_TESTS)
-  find_package_write_status(Catch2)
-  if (NOT Catch2_FOUND)
+  if (OPENMC_FORCE_VENDORED_LIBS)
     add_subdirectory(vendor/Catch2)
+  else()
+    find_package_write_status(Catch2)
+    if (NOT Catch2_FOUND)
+      add_subdirectory(vendor/Catch2)
+    endif()
   endif()
 endif()
 
diff --git a/docs/source/usersguide/install.rst b/docs/source/usersguide/install.rst
index 2621109f7..063c985f4 100644
--- a/docs/source/usersguide/install.rst
+++ b/docs/source/usersguide/install.rst
@@ -380,6 +380,11 @@ OPENMC_USE_MPI
   options, please see the `FindMPI.cmake documentation
   <https://cmake.org/cmake/help/latest/module/FindMPI.html>`_.
 
+OPENMC_FORCE_VENDORED_LIBS
+  Forces OpenMC to use the submodules located in the vendor directory, as
+  opposed to searching the system for already installed versions of those
+  modules.
+
 To set any of these options (e.g., turning on profiling), the following form
 should be used:
 

From dd8d621f0b7d99db02e7b9dc855e514bac756096 Mon Sep 17 00:00:00 2001
From: April Novak <novak@berkeley.edu>
Date: Thu, 3 Jul 2025 09:10:12 -0600
Subject: [PATCH 2349/2654] Only show warning if in restart mode. Refs #3477
 (#3478)

---
 src/state_point.cpp | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/src/state_point.cpp b/src/state_point.cpp
index 3b822715c..12dfeb82a 100644
--- a/src/state_point.cpp
+++ b/src/state_point.cpp
@@ -436,7 +436,8 @@ extern "C" int openmc_statepoint_load(const char* filename)
   // Read batch number to restart at
   read_dataset(file_id, "current_batch", simulation::restart_batch);
 
-  if (simulation::restart_batch >= settings::n_max_batches) {
+  if (settings::restart_run &&
+      simulation::restart_batch >= settings::n_max_batches) {
     warning(fmt::format(
       "The number of batches specified for simulation ({}) is smaller "
       "than or equal to the number of batches in the restart statepoint file "

From d700d395de02d95190eab35514f25f9ea29d516f Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 3 Jul 2025 17:59:40 -0500
Subject: [PATCH 2350/2654] Update conda install instructions for macOS Apple
 silicon (#3488)

---
 CITATION.cff                       | 11 ++++++-----
 docs/source/quickinstall.rst       |  7 +++++++
 docs/source/usersguide/install.rst |  7 +++++++
 3 files changed, 20 insertions(+), 5 deletions(-)

diff --git a/CITATION.cff b/CITATION.cff
index c1bc1443f..19b4213a1 100644
--- a/CITATION.cff
+++ b/CITATION.cff
@@ -9,6 +9,7 @@ preferred-citation:
     given-names: Bryan R.
   - family-names: Nelson
     given-names: Adam G.
+    orcid: "https://orcid.org/0000-0002-3614-0676"
   - family-names: Forget
     given-names: Benoit
     orcid: "https://orcid.org/0000-0003-1459-7672"
@@ -18,16 +19,16 @@ preferred-citation:
   - family-names: Romano
     given-names: Paul K.
     orcid: "https://orcid.org/0000-0002-1147-045X"
-  date-published: 2015-08
   doi: 10.1016/j.anucene.2014.07.048
-  issn: 1873-2100
+  issn: 0306-4549
   volume: 82
   journal: Annals of Nuclear Energy
   publisher:
     name: Elsevier
   start: 90
+  end: 97
+  year: 2015
+  month: 8
   title: "OpenMC: A state-of-the-art Monte Carlo code for research and development"
   type: article
-  url: "https://www.sciencedirect.com/science/article/pii/S030645491400379X"
-  volume: 10
-
+  url: "https://doi.org/10.1016/j.anucene.2014.07.048"
diff --git a/docs/source/quickinstall.rst b/docs/source/quickinstall.rst
index 21526242f..47c257dfe 100644
--- a/docs/source/quickinstall.rst
+++ b/docs/source/quickinstall.rst
@@ -35,6 +35,13 @@ you wish) with OpenMC installed.
     conda create --name openmc-env openmc
     conda activate openmc-env
 
+If you are installing on macOS with an Apple silicon ARM-based processor, you
+will also need to specify the `--platform` option:
+
+.. code-block:: sh
+
+    conda create --name openmc-env --platform osx-arm64 openmc
+
 You are now in a conda environment called `openmc-env` that has OpenMC
 installed.
 
diff --git a/docs/source/usersguide/install.rst b/docs/source/usersguide/install.rst
index 063c985f4..775e38109 100644
--- a/docs/source/usersguide/install.rst
+++ b/docs/source/usersguide/install.rst
@@ -35,6 +35,13 @@ you wish) with OpenMC installed.
     conda create --name openmc-env openmc
     conda activate openmc-env
 
+If you are installing on macOS with an Apple silicon ARM-based processor, you
+will also need to specify the `--platform` option:
+
+.. code-block:: sh
+
+    conda create --name openmc-env --platform osx-arm64 openmc
+
 You are now in a conda environment called `openmc-env` that has OpenMC
 installed.
 

From 58ee8d825dfc6d5bcb98a0156a46e023a84e9aea Mon Sep 17 00:00:00 2001
From: Shikhar Kumar <shikhar413@gmail.com>
Date: Tue, 15 Jul 2025 16:53:52 -0400
Subject: [PATCH 2351/2654] Update OSX install instructions to point to x64
 platform (#3501)

---
 docs/source/quickinstall.rst       | 2 +-
 docs/source/usersguide/install.rst | 2 +-
 2 files changed, 2 insertions(+), 2 deletions(-)

diff --git a/docs/source/quickinstall.rst b/docs/source/quickinstall.rst
index 47c257dfe..0f887940e 100644
--- a/docs/source/quickinstall.rst
+++ b/docs/source/quickinstall.rst
@@ -40,7 +40,7 @@ will also need to specify the `--platform` option:
 
 .. code-block:: sh
 
-    conda create --name openmc-env --platform osx-arm64 openmc
+    conda create --name openmc-env --platform osx-64 openmc
 
 You are now in a conda environment called `openmc-env` that has OpenMC
 installed.
diff --git a/docs/source/usersguide/install.rst b/docs/source/usersguide/install.rst
index 775e38109..cec3a541d 100644
--- a/docs/source/usersguide/install.rst
+++ b/docs/source/usersguide/install.rst
@@ -40,7 +40,7 @@ will also need to specify the `--platform` option:
 
 .. code-block:: sh
 
-    conda create --name openmc-env --platform osx-arm64 openmc
+    conda create --name openmc-env --platform osx-64 openmc
 
 You are now in a conda environment called `openmc-env` that has OpenMC
 installed.

From 6372c29cfad804ce49ac79179659eff9d9cddfcd Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Wed, 16 Jul 2025 08:31:49 -0500
Subject: [PATCH 2352/2654] Provide a way to get ID maps from plot parameters
 on the Model class (#3481)

Co-authored-by: Jonathan Shimwell <drshimwell@gmail.com>
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/lib/plot.py             |   1 +
 openmc/model/model.py          | 173 ++++++++++++++++-------
 openmc/plots.py                |  13 +-
 tests/unit_tests/test_model.py | 243 +++++++++++++++++++++++++++++++++
 4 files changed, 378 insertions(+), 52 deletions(-)

diff --git a/openmc/lib/plot.py b/openmc/lib/plot.py
index d98636676..f97348b20 100644
--- a/openmc/lib/plot.py
+++ b/openmc/lib/plot.py
@@ -90,6 +90,7 @@ class _PlotBase(Structure):
 
     def __init__(self):
         self.level_ = -1
+        self.basis_ = 1
         self.color_overlaps_ = False
 
     @property
diff --git a/openmc/model/model.py b/openmc/model/model.py
index 55f309bfb..93e029a33 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -20,7 +20,7 @@ from openmc.dummy_comm import DummyCommunicator
 from openmc.executor import _process_CLI_arguments
 from openmc.checkvalue import check_type, check_value, PathLike
 from openmc.exceptions import InvalidIDError
-from openmc.plots import add_plot_params
+from openmc.plots import add_plot_params, _BASIS_INDICES
 from openmc.utility_funcs import change_directory
 
 
@@ -902,6 +902,111 @@ class Model:
                             openmc.lib.materials[domain_id].volume = \
                                 vol_calc.volumes[domain_id].n
 
+
+    def _set_plot_defaults(
+        self,
+        origin: Sequence[float] | None,
+        width: Sequence[float] | None,
+        pixels: int | Sequence[int],
+        basis: str
+    ):
+        x, y, _ = _BASIS_INDICES[basis]
+
+        bb = self.bounding_box
+        # checks to see if bounding box contains -inf or inf values
+        if np.isinf(bb.extent[basis]).any():
+            if origin is None:
+                origin = (0, 0, 0)
+            if width is None:
+                width = (10, 10)
+        else:
+            if origin is None:
+                # if nan values in the bb.center they get replaced with 0.0
+                # this happens when the bounding_box contains inf values
+                with warnings.catch_warnings():
+                    warnings.simplefilter("ignore", RuntimeWarning)
+                    origin = np.nan_to_num(bb.center)
+            if width is None:
+                bb_width = bb.width
+                width = (bb_width[x], bb_width[y])
+
+        if isinstance(pixels, int):
+            aspect_ratio = width[0] / width[1]
+            pixels_y = math.sqrt(pixels / aspect_ratio)
+            pixels = (int(pixels / pixels_y), int(pixels_y))
+
+        return origin, width, pixels
+
+    def id_map(
+        self,
+        origin: Sequence[float] | None = None,
+        width: Sequence[float] | None = None,
+        pixels: int | Sequence[int] = 40000,
+        basis: str = 'xy',
+        **init_kwargs
+    ) -> np.ndarray:
+        """Generate an ID map for domains based on the plot parameters
+
+        If the model is not yet initialized, it will be initialized with
+        openmc.lib. If the model is initialized, the model will remain
+        initialized after this method call exits.
+
+        .. versionadded:: 0.15.3
+
+        Parameters
+        ----------
+        origin : Sequence[float], optional
+            Origin of the plot. If unspecified, this argument defaults to the
+            center of the bounding box if the bounding box does not contain inf
+            values for the provided basis, otherwise (0.0, 0.0, 0.0).
+        width : Sequence[float], optional
+            Width of the plot. If unspecified, this argument defaults to the
+            width of the bounding box if the bounding box does not contain inf
+            values for the provided basis, otherwise (10.0, 10.0).
+        pixels : int | Sequence[int], optional
+            If an iterable of ints is provided then this directly sets the
+            number of pixels to use in each basis direction. If a single int is
+            provided then this sets the total number of pixels in the plot and
+            the number of pixels in each basis direction is calculated from this
+            total and the image aspect ratio based on the width argument.
+        basis : {'xy', 'yz', 'xz'}, optional
+            Basis of the plot.
+        **init_kwargs
+            Keyword arguments passed to :meth:`Model.init_lib`.
+
+        Returns
+        -------
+        id_map : numpy.ndarray
+            A NumPy array with shape (vertical pixels, horizontal pixels, 3) of
+            OpenMC property IDs with dtype int32. The last dimension of the
+            array contains cell IDs, cell instances, and material IDs (in that
+            order).
+        """
+        import openmc.lib
+
+        origin, width, pixels = self._set_plot_defaults(
+            origin, width, pixels, basis)
+
+        # initialize the openmc.lib.plot._PlotBase object
+        plot_obj = openmc.lib.plot._PlotBase()
+        plot_obj.origin = origin
+        plot_obj.width = width[0]
+        plot_obj.height = width[1]
+        plot_obj.h_res = pixels[0]
+        plot_obj.v_res = pixels[1]
+        plot_obj.basis = basis
+
+        if self.is_initialized:
+            return openmc.lib.id_map(plot_obj)
+        else:
+            # Silence output by default. Also set arguments to start in volume
+            # calculation mode to avoid loading cross sections
+            init_kwargs.setdefault('output', False)
+            init_kwargs.setdefault('args', ['-c'])
+
+            with openmc.lib.TemporarySession(self, **init_kwargs):
+                return openmc.lib.id_map(plot_obj)
+
     @add_plot_params
     def plot(
         self,
@@ -945,39 +1050,13 @@ class Model:
             source_kwargs = {}
         source_kwargs.setdefault('marker', 'x')
 
+        # Set indices using basis and create axis labels
+        x, y, z = _BASIS_INDICES[basis]
+        xlabel, ylabel = f'{basis[0]} [{axis_units}]', f'{basis[1]} [{axis_units}]'
+
         # Determine extents of plot
-        if basis == 'xy':
-            x, y, z = 0, 1, 2
-            xlabel, ylabel = f'x [{axis_units}]', f'y [{axis_units}]'
-        elif basis == 'yz':
-            x, y, z = 1, 2, 0
-            xlabel, ylabel = f'y [{axis_units}]', f'z [{axis_units}]'
-        elif basis == 'xz':
-            x, y, z = 0, 2, 1
-            xlabel, ylabel = f'x [{axis_units}]', f'z [{axis_units}]'
-
-        bb = self.bounding_box
-        # checks to see if bounding box contains -inf or inf values
-        if np.isinf(bb.extent[basis]).any():
-            if origin is None:
-                origin = (0, 0, 0)
-            if width is None:
-                width = (10, 10)
-        else:
-            if origin is None:
-                # if nan values in the bb.center they get replaced with 0.0
-                # this happens when the bounding_box contains inf values
-                with warnings.catch_warnings():
-                    warnings.simplefilter("ignore", RuntimeWarning)
-                    origin = np.nan_to_num(bb.center)
-            if width is None:
-                bb_width = bb.width
-                width = (bb_width[x], bb_width[y])
-
-        if isinstance(pixels, int):
-            aspect_ratio = width[0] / width[1]
-            pixels_y = math.sqrt(pixels / aspect_ratio)
-            pixels = (int(pixels / pixels_y), int(pixels_y))
+        origin, width, pixels = self._set_plot_defaults(
+            origin, width, pixels, basis)
 
         axis_scaling_factor = {'km': 0.00001, 'm': 0.01, 'cm': 1, 'mm': 10}
 
@@ -1124,10 +1203,10 @@ class Model:
         return axes
 
     def sample_external_source(
-            self,
-            n_samples: int = 1000,
-            prn_seed: int | None = None,
-            **init_kwargs
+        self,
+        n_samples: int = 1000,
+        prn_seed: int | None = None,
+        **init_kwargs
     ) -> openmc.ParticleList:
         """Sample external source and return source particles.
 
@@ -1150,17 +1229,17 @@ class Model:
         """
         import openmc.lib
 
-        # Silence output by default. Also set arguments to start in volume
-        # calculation mode to avoid loading cross sections
-        init_kwargs.setdefault('output', False)
-        init_kwargs.setdefault('args', ['-c'])
+        if self.is_initialized:
+            return openmc.lib.sample_external_source(
+                n_samples=n_samples, prn_seed=prn_seed
+            )
+        else:
+            # Silence output by default. Also set arguments to start in volume
+            # calculation mode to avoid loading cross sections
+            init_kwargs.setdefault('output', False)
+            init_kwargs.setdefault('args', ['-c'])
 
-        with change_directory(tmpdir=True):
-            # Export model within temporary directory
-            self.export_to_model_xml()
-
-            # Sample external source sites
-            with openmc.lib.run_in_memory(**init_kwargs):
+            with openmc.lib.TemporarySession(self, **init_kwargs):
                 return openmc.lib.sample_external_source(
                     n_samples=n_samples, prn_seed=prn_seed
                 )
diff --git a/openmc/plots.py b/openmc/plots.py
index 40fcf0c78..9e097e2b9 100644
--- a/openmc/plots.py
+++ b/openmc/plots.py
@@ -15,6 +15,8 @@ from .mixin import IDManagerMixin
 
 _BASES = {'xy', 'xz', 'yz'}
 
+_BASIS_INDICES = {'xy': (0, 1, 2), 'xz': (0, 2, 1), 'yz': (1, 2, 0)}
+
 _SVG_COLORS = {
     'aliceblue': (240, 248, 255),
     'antiquewhite': (250, 235, 215),
@@ -178,11 +180,12 @@ _PLOT_PARAMS = """
             ascertain the plot width. Defaults to (10, 10) if the bounding box
             contains inf values.
         pixels : Iterable of int or int
-            If iterable of ints provided then this directly sets the number of
-            pixels to use in each basis direction. If int provided then this
-            sets the total number of pixels in the plot and the number of
-            pixels in each basis direction is calculated from this total and
-            the image aspect ratio.
+            If an iterable of ints is provided then this directly sets the
+            number of pixels to use in each basis direction. If a single int
+            is provided then this sets the total number of pixels in the plot
+            and the number of pixels in each basis direction is calculated
+            from this total and the image aspect ratio based on the width
+            argument.
         basis : {'xy', 'xz', 'yz'}
             The basis directions for the plot
         color_by : {'cell', 'material'}
diff --git a/tests/unit_tests/test_model.py b/tests/unit_tests/test_model.py
index aa844e2f2..3797188ba 100644
--- a/tests/unit_tests/test_model.py
+++ b/tests/unit_tests/test_model.py
@@ -649,3 +649,246 @@ def test_model_plot():
     # ensure that all of the data in the image data is either white or red
     test_mask = (image_data == white) | (image_data == red)
     assert np.all(test_mask), "Colors other than white or red found in overlap plot image"
+
+
+def test_model_id_map_initialization(run_in_tmpdir):
+    model = openmc.examples.pwr_assembly()
+    model.init_lib(output=False)
+
+    id_map = model.id_map(
+        pixels=(100, 100),
+        basis='xy',
+        origin=(0, 0, 0),
+        width=(10, 10),
+    )
+
+    assert id_map.shape == (100, 100, 3)
+    assert id_map.dtype == np.int32
+
+    max_cell_id = max(model.geometry.get_all_cells().keys())
+    max_material_id = max(model.geometry.get_all_materials().keys())
+
+    # add some spot checks for the id_map
+    # Check that the array contains valid cell/material IDs (not all -2)
+    # The -2 values indicate outside the geometry
+    assert not np.all(id_map == -2), "All values are -2, indicating no valid geometry found"
+
+    # Check that we have valid cell IDs (first dimension)
+    valid_cell_ids = id_map[:, :, 0]
+    assert np.any(valid_cell_ids >= 0), "No valid cell IDs found in the id_map"
+
+    # Check that we have valid material IDs (third dimension)
+    valid_material_ids = id_map[:, :, 2]
+    assert np.any(valid_material_ids >= 0), "No valid material IDs found in the id_map"
+
+    # Check that the middle dimension (cell instances) is consistent
+    # Cell instances should be >= 0 when cell IDs are valid
+    cell_instances = id_map[:, :, 1]
+    valid_cells = valid_cell_ids >= 0
+    if np.any(valid_cells):
+        assert np.all(cell_instances[valid_cells] >= 0), "Invalid cell instances found for valid cells"
+
+    # Check that the array contains reasonable ranges of values
+    # Cell IDs should be within the expected range for the assembly
+    if np.any(valid_cell_ids >= 0):
+        max_map_cell_id = np.max(valid_cell_ids)
+        assert max_map_cell_id <= max_cell_id, \
+            f"Cell ID {max_map_cell_id} in the map is greater than the maximum cell ID {max_cell_id}"
+
+    # Material IDs should be within the expected range
+    if np.any(valid_material_ids >= 0):
+        max_map_material_id = np.max(valid_material_ids)
+        assert max_map_material_id <= max_material_id, \
+            f"Material ID {max_map_material_id} in the map is greater than the maximum material ID {max_material_id}"
+
+    # Test id_map with pixels outside the model geometry
+    # Use a plot that's far from the model center to ensure we get -2 values
+    outside_id_map = model.id_map(
+        pixels=(50, 50),
+        basis='xy',
+        origin=(1000, 1000, 0),  # Far from the model center
+        width=(10, 10),
+    )
+
+    assert outside_id_map.shape == (50, 50, 3)
+    assert outside_id_map.dtype == np.int32
+
+    # All values should be -2 (outside geometry) for this plot
+    assert np.all(outside_id_map == -2), "Expected all values to be -2 for plot outside model geometry"
+
+    # Verify that the outside plot has the correct structure
+    assert np.all(outside_id_map[:, :, 0] == -2), "Cell IDs should all be -2 outside geometry"
+    assert np.all(outside_id_map[:, :, 1] == -2), "Cell instances should all be -2 outside geometry"
+    assert np.all(outside_id_map[:, :, 2] == -2), "Material IDs should all be -2 outside geometry"
+
+    # if the model is already initialized, it should not be finalized
+    # after calling this method
+    model.id_map(
+        pixels=(100, 100),
+        basis='xy',
+        origin=(0, 0, 0),
+        width=(10, 10),
+    )
+    assert model.is_initialized
+
+    # if the model is not initialized, it should be finalized
+    # before exiting this method
+    model.finalize_lib()
+    model.id_map(
+        pixels=(100, 100),
+        basis='xy',
+        origin=(0, 0, 0),
+        width=(10, 10),
+    )
+    assert not model.is_initialized
+
+
+def test_id_map_aligned_model():
+    """Test id_map with a 2x2 lattice where pixel boundaries align to cell boundaries"""
+    # Create materials -- identical compositions, different IDs
+    mat1 = openmc.Material(material_id=1, name='Material 1')
+    mat1.set_density('g/cm3', 1.0)
+    mat1.add_element('H', 1.0)
+
+    mat2 = openmc.Material(material_id=2, name='Material 2')
+    mat2.set_density('g/cm3', 1.0)
+    mat2.add_element('H', 1.0)
+
+    mat3 = openmc.Material(material_id=3, name='Material 3')
+    mat3.set_density('g/cm3', 1.0)
+    mat3.add_element('H', 1.0)
+
+    mat4 = openmc.Material(material_id=4, name='Material 4')
+    mat4.set_density('g/cm3', 1.0)
+    mat4.add_element('H', 1.0)
+
+    outer_mat = openmc.Material(material_id=5, name='Material 5')
+    outer_mat.set_density('g/cm3', 1.0)
+    outer_mat.add_element('H', 1.0)
+
+    inner_materials = [mat1, mat2, mat3, mat4]
+
+    # Create square surface that fits inside the lattice cell
+    # Lattice cell is 1 cm x 1 cm, so square will be 0.6 cm x 0.6 cm centered on the origin
+    square = openmc.model.RectangularPrism(0.6, 0.6, boundary_type='transmission')
+
+    # Create cells for this universe
+    inner_cell = openmc.Cell(cell_id=10, region=-square, name='inner_cell')
+    inner_cell.fill = inner_materials
+
+    outer_cell = openmc.Cell(cell_id=20, region=+square, name='outer_cell')
+    outer_cell.fill = outer_mat
+
+    # Create universe
+    universe = openmc.Universe(universe_id=100, cells=[inner_cell, outer_cell])
+
+    # Create 2x2 lattice
+    lattice = openmc.RectLattice(lattice_id=1)
+    lattice.lower_left = [-1.0, -1.0]
+    lattice.pitch = [1.0, 1.0]
+    lattice.universes = [[universe, universe], [universe, universe]]
+
+    # Create outer boundary
+    outer_boundary = openmc.model.RectangularPrism(2.0, 2.0, boundary_type='vacuum')
+
+    # Create root cell
+    root_cell = openmc.Cell(cell_id=1, name='root', fill=lattice, region=-outer_boundary)
+
+    # Create geometry
+    geometry = openmc.Geometry([root_cell])
+
+    # Create settings
+    settings = openmc.Settings()
+    settings.particles = 1000
+    settings.batches = 10
+
+    # Create model
+    model = openmc.Model(settings=settings, geometry=geometry)
+
+    # Generate id_map with pixel boundaries aligned to cell boundaries
+    # The model is 2 cm x 2 cm, so we'll use 200x200 pixels to get 0.01 cm resolution
+    # This allows us to align pixels with the squares inside each lattice cell
+    id_map = model.id_map(
+        pixels=(200, 200),
+        basis='xy',
+        origin=(0.0, 0.0, 0.0),  # Align with lattice lower_left
+        width=(2.0, 2.0),     # Align with lattice size
+    )
+
+    # Verify id_map properties
+    assert id_map.shape == (200, 200, 3)
+    assert id_map.dtype == np.int32
+
+    cell_id_map = id_map[:, :, 0]
+    material_ids_map = id_map[:, :, 2]
+
+    # Check that we have valid cell IDs (not all -2)
+    assert np.any(cell_id_map >= 0), "No valid cell IDs found in the id_map"
+
+    # Check that we have valid material IDs
+    assert np.any(material_ids_map >= 0), "No valid material IDs found in the id_map"
+
+    # Check that the expected cell IDs are present
+    expected_cell_ids = [10, 20]  # Root cell, inner cell, outer cell
+    found_cell_ids = np.unique(cell_id_map[cell_id_map >= 0])
+    for cell_id in expected_cell_ids:
+        assert cell_id in found_cell_ids, f"Expected cell ID {cell_id} not found in id_map"
+
+    # Check that the expected material IDs are present
+    expected_material_ids = [1, 2, 3, 4, 5]  # All materials defined above
+    found_material_ids = np.unique(material_ids_map[material_ids_map >= 0])
+    for mat_id in expected_material_ids:
+        assert mat_id in found_material_ids, f"Expected material ID {mat_id} not found in id_map"
+
+    # Test specific regions to verify lattice structure
+    # Check center of each lattice cell (should be inner cells)
+    # Lattice cell centers are at (-0.5, -0.5), (0.5, -0.5), (-0.5, 0.5), (0.5, 0.5)
+    # With 200x200 pixels over 2x2 units, each pixel is 0.01 units
+
+    # Bottom-left lattice cell center (should be inner cell 10)
+    bl_cell, bl_instance, bl_material = id_map[-50, 50]
+    assert bl_cell == 10, f"Expected cell ID 10 at bottom-left center, got {bl_cell}"
+    assert bl_instance == 0, f"Expected cell instance 0 at bottom-left center, got {bl_instance}"
+    assert bl_material == 1, f"Expected material ID 1 at bottom-left center, got {bl_material}"
+
+    # Bottom-right lattice cell center (should be inner cell 10)
+    br_cell, br_instance, br_material = id_map[-50, 150]
+    assert br_cell == 10, f"Expected cell ID 10 at bottom-right center, got {br_cell}"
+    assert br_instance == 1, f"Expected cell instance 1 at bottom-right center, got {br_instance}"
+    assert br_material == 2, f"Expected material ID 2 at bottom-right center, got {br_material}"
+
+    # Top-left lattice cell center (should be inner cell 10)
+    tl_cell, tl_instance, tl_material = id_map[-150, 50]
+    assert tl_cell == 10, f"Expected cell ID 10 at top-left center, got {tl_cell}"
+    assert tl_instance == 2, f"Expected cell instance 2 at top-left center, got {tl_instance}"
+    assert tl_material == 3, f"Expected material ID 3 at top-left center, got {tl_material}"
+
+    # Top-right lattice cell center (should be inner cell 10)
+    tr_cell, tr_instance, tr_material = id_map[-150, 150]
+    assert tr_cell == 10, f"Expected cell ID 10 at top-right center, got {tr_cell}"
+    assert tr_instance == 3, f"Expected cell instance 3 at top-right center, got {tr_instance}"
+    assert tr_material == 4, f"Expected material ID 4 at top-right center, got {tr_material}"
+
+    # Check that the model is properly finalized after id_map call
+    assert not model.is_initialized, "Model should be finalized after id_map call"
+
+    # Check that the values at the corners are correctly set as the outer cell and material
+    bl_cell, bl_instance, bl_material = id_map[-1, 0]
+    assert bl_cell == 20, f"Expected cell ID 20 at bottom-left corner, got {bl_cell}"
+    assert bl_instance == 0, f"Expected cell instance 0 at bottom-left corner, got {bl_instance}"
+    assert bl_material == 5, f"Expected material ID 5 at bottom-left corner, got {bl_material}"
+
+    br_cell, br_instance, br_material = id_map[-1, -1]
+    assert br_cell == 20, f"Expected cell ID 20 at bottom-right corner, got {br_cell}"
+    assert br_instance == 1, f"Expected cell instance 1 at bottom-right corner, got {br_instance}"
+    assert br_material == 5, f"Expected material ID 5 at bottom-right corner, got {br_material}"
+
+    tl_cell, tl_instance, tl_material = id_map[0, 0]
+    assert tl_cell == 20, f"Expected cell ID 20 at top-left corner, got {tl_cell}"
+    assert tl_instance == 2, f"Expected cell instance 2 at top-left corner, got {tl_instance}"
+    assert tl_material == 5, f"Expected material ID 5 at top-left corner, got {tl_material}"
+
+    tr_cell, tr_instance, tr_material = id_map[0, -1]
+    assert tr_cell == 20, f"Expected cell ID 20 at top-right corner, got {tr_cell}"
+    assert tr_instance == 3, f"Expected cell instance 3 at top-right corner, got {tr_instance}"
+    assert tr_material == 5, f"Expected material ID 5 at top-right corner, got {tr_material}"

From 24f78e6e924f5163e5e45dd307f8819d78073bfe Mon Sep 17 00:00:00 2001
From: Perry <100789850+yrrepy@users.noreply.github.com>
Date: Wed, 16 Jul 2025 17:40:02 -0700
Subject: [PATCH 2353/2654] Use auto-chunking for StepResult HDF5 writing
 (#3498)

---
 openmc/deplete/stepresult.py | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/openmc/deplete/stepresult.py b/openmc/deplete/stepresult.py
index 9cf33898f..7c86b8645 100644
--- a/openmc/deplete/stepresult.py
+++ b/openmc/deplete/stepresult.py
@@ -328,13 +328,13 @@ class StepResult:
 
         handle.create_dataset("number", (1, n_stages, n_mats, n_nuc_number),
                               maxshape=(None, n_stages, n_mats, n_nuc_number),
-                              chunks=(1, 1, n_mats, n_nuc_number),
+                              chunks=True,
                               dtype='float64')
 
         if n_nuc_rxn > 0 and n_rxn > 0:
             handle.create_dataset("reaction rates", (1, n_stages, n_mats, n_nuc_rxn, n_rxn),
                                 maxshape=(None, n_stages, n_mats, n_nuc_rxn, n_rxn),
-                                chunks=(1, 1, n_mats, n_nuc_rxn, n_rxn),
+                                chunks=True,
                                 dtype='float64')
 
         handle.create_dataset("eigenvalues", (1, n_stages, 2),

From 5318ea6e2b46000f3805d29edfbae1530694951d Mon Sep 17 00:00:00 2001
From: Ahnaf Tahmid Chowdhury <tahmid@nukehub.org>
Date: Thu, 17 Jul 2025 08:46:39 +0600
Subject: [PATCH 2354/2654] Make MCPL a Runtime Optional Dependency (#3429)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 CMakeLists.txt                                |  23 -
 cmake/OpenMCConfig.cmake.in                   |   4 -
 docs/source/usersguide/install.rst            |   4 -
 include/openmc/mcpl_interface.h               |  22 +-
 openmc/lib/__init__.py                        |   3 -
 src/mcpl_interface.cpp                        | 537 ++++++++++++++----
 src/settings.cpp                              |  12 -
 .../source_mcpl_file/settings.xml             |   9 +-
 .../regression_tests/source_mcpl_file/test.py |  27 +-
 9 files changed, 438 insertions(+), 203 deletions(-)

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 48f3bfc39..2b863eb08 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -36,7 +36,6 @@ option(OPENMC_ENABLE_COVERAGE "Compile with coverage analysis flags"
 option(OPENMC_USE_DAGMC       "Enable support for DAGMC (CAD) geometry"              OFF)
 option(OPENMC_USE_LIBMESH     "Enable support for libMesh unstructured mesh tallies" OFF)
 option(OPENMC_USE_MPI         "Enable MPI"                                           OFF)
-option(OPENMC_USE_MCPL        "Enable MCPL"                                          OFF)
 option(OPENMC_USE_UWUW        "Enable UWUW"                                          OFF)
 option(OPENMC_FORCE_VENDORED_LIBS "Explicitly use submodules defined in 'vendor'"    OFF)
 
@@ -47,7 +46,6 @@ message(STATUS "OPENMC_ENABLE_COVERAGE ${OPENMC_ENABLE_COVERAGE}")
 message(STATUS "OPENMC_USE_DAGMC ${OPENMC_USE_DAGMC}")
 message(STATUS "OPENMC_USE_LIBMESH ${OPENMC_USE_LIBMESH}")
 message(STATUS "OPENMC_USE_MPI ${OPENMC_USE_MPI}")
-message(STATUS "OPENMC_USE_MCPL ${OPENMC_USE_MCPL}")
 message(STATUS "OPENMC_USE_UWUW ${OPENMC_USE_UWUW}")
 message(STATUS "OPENMC_FORCE_VENDORED_LIBS ${OPENMC_FORCE_VENDORED_LIBS}")
 
@@ -191,22 +189,6 @@ if(${HDF5_VERSION} VERSION_GREATER_EQUAL 1.12.0)
   list(APPEND cxxflags -DH5Oget_info_by_idx_vers=1 -DH5O_info_t_vers=1)
 endif()
 
-#===============================================================================
-# MCPL
-#===============================================================================
-
-if (OPENMC_USE_MCPL)
-  if (NOT DEFINED MCPL_DIR)
-    execute_process(
-      COMMAND mcpl-config --show cmakedir
-      OUTPUT_VARIABLE MCPL_DIR
-      OUTPUT_STRIP_TRAILING_WHITESPACE
-    )
-  endif()
-  find_package(MCPL REQUIRED)
-  message(STATUS "Found MCPL: ${MCPL_DIR} (found version \"${MCPL_VERSION}\")")
-endif()
-
 #===============================================================================
 # Set compile/link flags based on which compiler is being used
 #===============================================================================
@@ -557,11 +539,6 @@ if (OPENMC_BUILD_TESTS)
   add_subdirectory(tests/cpp_unit_tests)
 endif()
 
-if (OPENMC_USE_MCPL)
-  target_compile_definitions(libopenmc PUBLIC OPENMC_MCPL)
-  target_link_libraries(libopenmc MCPL::mcpl)
-endif()
-
 #===============================================================================
 # Log build info that this executable can report later
 #===============================================================================
diff --git a/cmake/OpenMCConfig.cmake.in b/cmake/OpenMCConfig.cmake.in
index 7416013fb..3fe0c1bcd 100644
--- a/cmake/OpenMCConfig.cmake.in
+++ b/cmake/OpenMCConfig.cmake.in
@@ -29,10 +29,6 @@ if(@OPENMC_USE_OPENMP@)
   find_package(OpenMP REQUIRED)
 endif()
 
-if(@OPENMC_USE_MCPL@)
-  find_package(MCPL REQUIRED HINTS @MCPL_DIR@)
-endif()
-
 if(@OPENMC_USE_UWUW@ AND NOT ${DAGMC_BUILD_UWUW})
   message(FATAL_ERROR "UWUW is enabled in OpenMC but the DAGMC installation discovered was not configured with UWUW.")
 endif()
diff --git a/docs/source/usersguide/install.rst b/docs/source/usersguide/install.rst
index cec3a541d..64d480179 100644
--- a/docs/source/usersguide/install.rst
+++ b/docs/source/usersguide/install.rst
@@ -375,10 +375,6 @@ OPENMC_USE_DAGMC
   should also be defined as `DAGMC_ROOT` in the CMake configuration command.
   (Default: off)
 
-OPENMC_USE_MCPL
-  Turns on support for reading MCPL_ source files and writing MCPL source points
-  and surface sources. (Default: off)
-
 OPENMC_USE_LIBMESH
   Enables the use of unstructured mesh tallies with libMesh_. (Default: off)
 
diff --git a/include/openmc/mcpl_interface.h b/include/openmc/mcpl_interface.h
index e5c182280..f7323e10a 100644
--- a/include/openmc/mcpl_interface.h
+++ b/include/openmc/mcpl_interface.h
@@ -9,12 +9,6 @@
 
 namespace openmc {
 
-//==============================================================================
-// Constants
-//==============================================================================
-
-extern "C" const bool MCPL_ENABLED;
-
 //==============================================================================
 // Functions
 //==============================================================================
@@ -29,14 +23,18 @@ vector<SourceSite> mcpl_source_sites(std::string path);
 //
 //! \param[in] filename     Path to MCPL file
 //! \param[in] source_bank  Vector of SourceSites to write to file for this
-//!                         MPI rank. Note that this can't be const due to
-//!                         it being used as work space by MPI.
-//! \param[in] bank_indx    Pointer to vector of site index ranges over all
-//!                         MPI ranks. This can be computed by calling
-//!                         calculate_parallel_index_vector on
-//!                         source_bank.size().
+//!                         MPI rank.
+//! \param[in] bank_index   Pointer to vector of site index ranges over all
+//!                         MPI ranks.
 void write_mcpl_source_point(const char* filename, span<SourceSite> source_bank,
   const vector<int64_t>& bank_index);
+
+//! Check if MCPL functionality is available
+bool is_mcpl_interface_available();
+
+//! Initialize the MCPL interface
+void initialize_mcpl_interface_if_needed();
+
 } // namespace openmc
 
 #endif // OPENMC_MCPL_INTERFACE_H
diff --git a/openmc/lib/__init__.py b/openmc/lib/__init__.py
index 15642b42b..d2a794eb1 100644
--- a/openmc/lib/__init__.py
+++ b/openmc/lib/__init__.py
@@ -46,9 +46,6 @@ def _coord_levels():
 def _libmesh_enabled():
     return c_bool.in_dll(_dll, "LIBMESH_ENABLED").value
 
-def _mcpl_enabled():
-    return c_bool.in_dll(_dll, "MCPL_ENABLED").value
-
 def _uwuw_enabled():
     return c_bool.in_dll(_dll, "UWUW_ENABLED").value
 
diff --git a/src/mcpl_interface.cpp b/src/mcpl_interface.cpp
index 83ef63320..13915c3b8 100644
--- a/src/mcpl_interface.cpp
+++ b/src/mcpl_interface.cpp
@@ -11,32 +11,292 @@
 
 #include <fmt/core.h>
 
-#ifdef OPENMC_MCPL
-#include <mcpl.h>
+#include <cctype>
+#include <cstdint>
+#include <cstdio>
+#include <cstdlib>
+#include <cstring>
+#include <memory>
+#include <mutex>
+#include <stdexcept>
+#include <string>
+
+#ifdef _WIN32
+#define WIN32_LEAN_AND_MEAN
+#include <windows.h>
+#else
+#include <dlfcn.h>
 #endif
 
+// WARNING: These declarations MUST EXACTLY MATCH the structure and function
+// signatures of the libmcpl being loaded at runtime. Any discrepancy will
+// likely lead to crashes or incorrect behavior. This is a maintenance risk.
+// MCPL 2.2.0
+
+#pragma pack(push, 1)
+struct mcpl_particle_repr_t {
+  double ekin;
+  double polarisation[3];
+  double position[3];
+  double direction[3];
+  double time;
+  double weight;
+  int32_t pdgcode;
+  uint32_t userflags;
+};
+#pragma pack(pop)
+
+// Opaque struct definitions replicating the MCPL C-API to ensure ABI
+// compatibility without including mcpl.h. These must be kept in sync.
+struct mcpl_file_t {
+  void* internal;
+};
+struct mcpl_outfile_t {
+  void* internal;
+};
+
+// Function pointer types for the dynamically loaded MCPL library
+using mcpl_open_file_fpt = mcpl_file_t* (*)(const char* filename);
+using mcpl_hdr_nparticles_fpt = uint64_t (*)(mcpl_file_t* file_handle);
+using mcpl_read_fpt = const mcpl_particle_repr_t* (*)(mcpl_file_t* file_handle);
+using mcpl_close_file_fpt = void (*)(mcpl_file_t* file_handle);
+
+using mcpl_create_outfile_fpt = mcpl_outfile_t* (*)(const char* filename);
+using mcpl_hdr_set_srcname_fpt = void (*)(
+  mcpl_outfile_t* outfile_handle, const char* srcname);
+using mcpl_add_particle_fpt = void (*)(
+  mcpl_outfile_t* outfile_handle, const mcpl_particle_repr_t* particle);
+using mcpl_close_outfile_fpt = void (*)(mcpl_outfile_t* outfile_handle);
+
 namespace openmc {
 
-//==============================================================================
-// Constants
-//==============================================================================
-
-#ifdef OPENMC_MCPL
-const bool MCPL_ENABLED = true;
+#ifdef _WIN32
+using LibraryHandleType = HMODULE;
 #else
-const bool MCPL_ENABLED = false;
+using LibraryHandleType = void*;
 #endif
 
-//==============================================================================
-// Functions
-//==============================================================================
+std::string get_last_library_error()
+{
+#ifdef _WIN32
+  DWORD error_code = GetLastError();
+  if (error_code == 0)
+    return "No error reported by system."; // More accurate than "No error."
+  LPSTR message_buffer = nullptr;
+  size_t size =
+    FormatMessageA(FORMAT_MESSAGE_ALLOCATE_BUFFER | FORMAT_MESSAGE_FROM_SYSTEM |
+                     FORMAT_MESSAGE_IGNORE_INSERTS,
+      NULL, error_code, MAKELANGID(LANG_NEUTRAL, SUBLANG_DEFAULT),
+      (LPSTR)&message_buffer, 0, NULL);
+  std::string message(message_buffer, size);
+  LocalFree(message_buffer);
+  while (
+    !message.empty() && (message.back() == '\n' || message.back() == '\r')) {
+    message.pop_back();
+  }
+  return message;
+#else
+  const char* err = dlerror();
+  return err ? std::string(err) : "No error reported by dlerror.";
+#endif
+}
 
-#ifdef OPENMC_MCPL
-SourceSite mcpl_particle_to_site(const mcpl_particle_t* particle)
+struct McplApi {
+  mcpl_open_file_fpt open_file;
+  mcpl_hdr_nparticles_fpt hdr_nparticles;
+  mcpl_read_fpt read;
+  mcpl_close_file_fpt close_file;
+  mcpl_create_outfile_fpt create_outfile;
+  mcpl_hdr_set_srcname_fpt hdr_set_srcname;
+  mcpl_add_particle_fpt add_particle;
+  mcpl_close_outfile_fpt close_outfile;
+
+  explicit McplApi(LibraryHandleType lib_handle)
+  {
+    if (!lib_handle)
+      throw std::runtime_error(
+        "MCPL library handle is null during API binding.");
+
+    auto load_symbol_platform = [lib_handle](const char* name) {
+      void* sym = nullptr;
+#ifdef _WIN32
+      sym = (void*)GetProcAddress(lib_handle, name);
+#else
+      sym = dlsym(lib_handle, name);
+#endif
+      if (!sym) {
+        throw std::runtime_error(
+          fmt::format("Failed to load MCPL symbol '{}': {}", name,
+            get_last_library_error()));
+      }
+      return sym;
+    };
+
+    open_file = reinterpret_cast<mcpl_open_file_fpt>(
+      load_symbol_platform("mcpl_open_file"));
+    hdr_nparticles = reinterpret_cast<mcpl_hdr_nparticles_fpt>(
+      load_symbol_platform("mcpl_hdr_nparticles"));
+    read = reinterpret_cast<mcpl_read_fpt>(load_symbol_platform("mcpl_read"));
+    close_file = reinterpret_cast<mcpl_close_file_fpt>(
+      load_symbol_platform("mcpl_close_file"));
+    create_outfile = reinterpret_cast<mcpl_create_outfile_fpt>(
+      load_symbol_platform("mcpl_create_outfile"));
+    hdr_set_srcname = reinterpret_cast<mcpl_hdr_set_srcname_fpt>(
+      load_symbol_platform("mcpl_hdr_set_srcname"));
+    add_particle = reinterpret_cast<mcpl_add_particle_fpt>(
+      load_symbol_platform("mcpl_add_particle"));
+    close_outfile = reinterpret_cast<mcpl_close_outfile_fpt>(
+      load_symbol_platform("mcpl_close_outfile"));
+  }
+};
+
+static LibraryHandleType g_mcpl_lib_handle = nullptr;
+static std::unique_ptr<McplApi> g_mcpl_api;
+static bool g_mcpl_init_attempted = false;
+static bool g_mcpl_successfully_loaded = false;
+static std::string g_mcpl_load_error_msg;
+static std::once_flag g_mcpl_init_flag;
+
+void append_error(std::string& existing_msg, const std::string& new_error)
+{
+  if (!existing_msg.empty()) {
+    existing_msg += "; ";
+  }
+  existing_msg += new_error;
+}
+
+void initialize_mcpl_interface_impl()
+{
+  g_mcpl_init_attempted = true;
+  g_mcpl_load_error_msg.clear();
+
+  // Try mcpl-config
+  if (!g_mcpl_lib_handle) {
+    FILE* pipe = nullptr;
+#ifdef _WIN32
+    pipe = _popen("mcpl-config --show libpath", "r");
+#else
+    pipe = popen("mcpl-config --show libpath 2>/dev/null", "r");
+#endif
+    if (pipe) {
+      char buffer[512];
+      if (fgets(buffer, sizeof(buffer), pipe) != nullptr) {
+        std::string shlibpath = buffer;
+        // Remove trailing whitespace
+        while (!shlibpath.empty() &&
+               std::isspace(static_cast<unsigned char>(shlibpath.back()))) {
+          shlibpath.pop_back();
+        }
+
+        if (!shlibpath.empty()) {
+#ifdef _WIN32
+          g_mcpl_lib_handle = LoadLibraryA(shlibpath.c_str());
+#else
+          g_mcpl_lib_handle = dlopen(shlibpath.c_str(), RTLD_LAZY);
+#endif
+          if (!g_mcpl_lib_handle) {
+            append_error(
+              g_mcpl_load_error_msg, fmt::format("From mcpl-config ({}): {}",
+                                       shlibpath, get_last_library_error()));
+          }
+        }
+      }
+#ifdef _WIN32
+      _pclose(pipe);
+#else
+      pclose(pipe);
+#endif
+    } else { // pipe failed to open
+      append_error(g_mcpl_load_error_msg,
+        "mcpl-config command not found or failed to execute");
+    }
+  }
+
+  // Try standard library names
+  if (!g_mcpl_lib_handle) {
+#ifdef _WIN32
+    const char* standard_names[] = {"mcpl.dll", "libmcpl.dll"};
+#else
+    const char* standard_names[] = {"libmcpl.so", "libmcpl.dylib"};
+#endif
+    for (const char* name : standard_names) {
+#ifdef _WIN32
+      g_mcpl_lib_handle = LoadLibraryA(name);
+#else
+      g_mcpl_lib_handle = dlopen(name, RTLD_LAZY);
+#endif
+      if (g_mcpl_lib_handle)
+        break;
+    }
+    if (!g_mcpl_lib_handle) {
+      append_error(
+        g_mcpl_load_error_msg, fmt::format("Using standard names (e.g. {}): {}",
+                                 standard_names[0], get_last_library_error()));
+    }
+  }
+
+  if (!g_mcpl_lib_handle) {
+    if (mpi::master) {
+      warning(fmt::format("MCPL library could not be loaded. MCPL-dependent "
+                          "features will be unavailable. Load attempts: {}",
+        g_mcpl_load_error_msg.empty()
+          ? "No specific error during load attempts."
+          : g_mcpl_load_error_msg));
+    }
+    g_mcpl_successfully_loaded = false;
+    return;
+  }
+
+  try {
+    g_mcpl_api = std::make_unique<McplApi>(g_mcpl_lib_handle);
+    g_mcpl_successfully_loaded = true;
+    // Do not call dlclose/FreeLibrary at exit. Leaking the handle is safer
+    // and standard practice for libraries used for the application's lifetime.
+  } catch (const std::runtime_error& e) {
+    append_error(g_mcpl_load_error_msg,
+      fmt::format(
+        "MCPL library loaded, but failed to bind symbols: {}", e.what()));
+    if (mpi::master) {
+      warning(g_mcpl_load_error_msg);
+    }
+#ifdef _WIN32
+    FreeLibrary(g_mcpl_lib_handle);
+#else
+    dlclose(g_mcpl_lib_handle);
+#endif
+    g_mcpl_lib_handle = nullptr;
+    g_mcpl_successfully_loaded = false;
+  }
+}
+
+void initialize_mcpl_interface_if_needed()
+{
+  std::call_once(g_mcpl_init_flag, initialize_mcpl_interface_impl);
+}
+
+bool is_mcpl_interface_available()
+{
+  initialize_mcpl_interface_if_needed();
+  return g_mcpl_successfully_loaded;
+}
+
+inline void ensure_mcpl_ready_or_fatal()
+{
+  initialize_mcpl_interface_if_needed();
+  if (!g_mcpl_successfully_loaded) {
+    fatal_error("MCPL functionality is required, but the MCPL library is not "
+                "available or failed to initialize. Please ensure MCPL is "
+                "installed and its library can be found (e.g., via PATH on "
+                "Windows, LD_LIBRARY_PATH on Linux, or DYLD_LIBRARY_PATH on "
+                "macOS). You can often install MCPL with 'pip install mcpl' or "
+                "'conda install mcpl'.");
+  }
+}
+
+SourceSite mcpl_particle_to_site(const mcpl_particle_repr_t* particle_repr)
 {
   SourceSite site;
-
-  switch (particle->pdgcode) {
+  switch (particle_repr->pdgcode) {
   case 2112:
     site.particle = ParticleType::neutron;
     break;
@@ -49,179 +309,204 @@ SourceSite mcpl_particle_to_site(const mcpl_particle_t* particle)
   case -11:
     site.particle = ParticleType::positron;
     break;
+  default:
+    fatal_error(fmt::format(
+      "MCPL: Encountered unexpected PDG code {} when converting to SourceSite.",
+      particle_repr->pdgcode));
+    break;
   }
 
   // Copy position and direction
-  site.r.x = particle->position[0];
-  site.r.y = particle->position[1];
-  site.r.z = particle->position[2];
-  site.u.x = particle->direction[0];
-  site.u.y = particle->direction[1];
-  site.u.z = particle->direction[2];
-
+  site.r.x = particle_repr->position[0];
+  site.r.y = particle_repr->position[1];
+  site.r.z = particle_repr->position[2];
+  site.u.x = particle_repr->direction[0];
+  site.u.y = particle_repr->direction[1];
+  site.u.z = particle_repr->direction[2];
   // MCPL stores kinetic energy in [MeV], time in [ms]
-  site.E = particle->ekin * 1e6;
-  site.time = particle->time * 1e-3;
-  site.wgt = particle->weight;
-
+  site.E = particle_repr->ekin * 1e6;
+  site.time = particle_repr->time * 1e-3;
+  site.wgt = particle_repr->weight;
   return site;
 }
-#endif
-
-//==============================================================================
 
 vector<SourceSite> mcpl_source_sites(std::string path)
 {
+  ensure_mcpl_ready_or_fatal();
   vector<SourceSite> sites;
 
-#ifdef OPENMC_MCPL
-  // Open MCPL file and determine number of particles
-  auto mcpl_file = mcpl_open_file(path.c_str());
-  size_t n_sites = mcpl_hdr_nparticles(mcpl_file);
+  mcpl_file_t* mcpl_file = g_mcpl_api->open_file(path.c_str());
+  if (!mcpl_file) {
+    fatal_error(fmt::format("MCPL: Could not open file '{}'. It might be "
+                            "missing, inaccessible, or not a valid MCPL file.",
+      path));
+  }
 
-  for (int i = 0; i < n_sites; i++) {
-    // Extract particle from mcpl-file, checking if it is a neutron, photon,
-    // electron, or positron. Otherwise skip.
-    const mcpl_particle_t* particle;
-    int pdg = 0;
-    while (pdg != 2112 && pdg != 22 && pdg != 11 && pdg != -11) {
-      particle = mcpl_read(mcpl_file);
-      pdg = particle->pdgcode;
+  size_t n_particles_in_file = g_mcpl_api->hdr_nparticles(mcpl_file);
+  size_t n_skipped = 0;
+  if (n_particles_in_file > 0) {
+    sites.reserve(n_particles_in_file);
+  }
+
+  for (size_t i = 0; i < n_particles_in_file; ++i) {
+    const mcpl_particle_repr_t* p_repr = g_mcpl_api->read(mcpl_file);
+    if (!p_repr) {
+      warning(fmt::format("MCPL: Read error or unexpected end of file '{}' "
+                          "after reading {} of {} expected particles.",
+        path, sites.size(), n_particles_in_file));
+      break;
+    }
+    if (p_repr->pdgcode == 2112 || p_repr->pdgcode == 22 ||
+        p_repr->pdgcode == 11 || p_repr->pdgcode == -11) {
+      sites.push_back(mcpl_particle_to_site(p_repr));
+    } else {
+      n_skipped++;
     }
-
-    // Convert to source site and add to vector
-    sites.push_back(mcpl_particle_to_site(particle));
   }
 
-  // Check that some sites were read
+  g_mcpl_api->close_file(mcpl_file);
+
+  if (n_skipped > 0 && n_particles_in_file > 0) {
+    double percent_skipped =
+      100.0 * static_cast<double>(n_skipped) / n_particles_in_file;
+    warning(fmt::format(
+      "MCPL: Skipped {} of {} total particles ({:.1f}%) in file '{}' because "
+      "their type is not supported by OpenMC.",
+      n_skipped, n_particles_in_file, percent_skipped, path));
+  }
+
   if (sites.empty()) {
-    fatal_error("MCPL file contained no neutron, photon, electron, or positron "
-                "source particles.");
+    if (n_particles_in_file > 0) {
+      fatal_error(fmt::format(
+        "MCPL file '{}' contained {} particles, but none were of the supported "
+        "types (neutron, photon, electron, positron). OpenMC cannot proceed "
+        "without source particles.",
+        path, n_particles_in_file));
+    } else {
+      fatal_error(fmt::format(
+        "MCPL file '{}' is empty or contains no particle data.", path));
+    }
   }
-
-  mcpl_close_file(mcpl_file);
-#else
-  fatal_error(
-    "Your build of OpenMC does not support reading MCPL source files.");
-#endif
-
   return sites;
 }
 
-//==============================================================================
-
-#ifdef OPENMC_MCPL
-void write_mcpl_source_bank(mcpl_outfile_t file_id,
-  span<SourceSite> source_bank, const vector<int64_t>& bank_index)
+void write_mcpl_source_bank_internal(mcpl_outfile_t* file_id,
+  span<SourceSite> local_source_bank,
+  const vector<int64_t>& bank_index_all_ranks)
 {
-  int64_t dims_size = settings::n_particles;
-  int64_t count_size = simulation::work_per_rank;
-
   if (mpi::master) {
-    // Particles are writeen to disk from the master node only
+    if (!file_id) {
+      fatal_error("MCPL: Internal error - master rank called "
+                  "write_mcpl_source_bank_internal with null file_id.");
+    }
+    vector<SourceSite> receive_buffer;
 
-    // Save source bank sites since the array is overwritten below
+    for (int rank_idx = 0; rank_idx < mpi::n_procs; ++rank_idx) {
+      size_t num_sites_on_rank = static_cast<size_t>(
+        bank_index_all_ranks[rank_idx + 1] - bank_index_all_ranks[rank_idx]);
+      if (num_sites_on_rank == 0)
+        continue;
+
+      span<const SourceSite> sites_to_write;
 #ifdef OPENMC_MPI
-    vector<SourceSite> temp_source {source_bank.begin(), source_bank.end()};
+      if (rank_idx == mpi::rank) {
+        sites_to_write = openmc::span<const SourceSite>(
+          local_source_bank.data(), num_sites_on_rank);
+      } else {
+        if (receive_buffer.size() < num_sites_on_rank) {
+          receive_buffer.resize(num_sites_on_rank);
+        }
+        MPI_Recv(receive_buffer.data(), num_sites_on_rank, mpi::source_site,
+          rank_idx, rank_idx, mpi::intracomm, MPI_STATUS_IGNORE);
+        sites_to_write = openmc::span<const SourceSite>(
+          receive_buffer.data(), num_sites_on_rank);
+      }
+#else
+      sites_to_write = openmc::span<const SourceSite>(
+        local_source_bank.data(), num_sites_on_rank);
 #endif
-
-    // loop over the other nodes and receive data - then write those.
-    for (int i = 0; i < mpi::n_procs; ++i) {
-      // number of particles for node node i
-      size_t count[] {static_cast<size_t>(bank_index[i + 1] - bank_index[i])};
-
-#ifdef OPENMC_MPI
-      if (i > 0)
-        MPI_Recv(source_bank.data(), count[0], mpi::source_site, i, i,
-          mpi::intracomm, MPI_STATUS_IGNORE);
-#endif
-      // now write the source_bank data again.
-      for (const auto& site : source_bank) {
-        // particle is now at the iterator
-        // write it to the mcpl-file
-        mcpl_particle_t p;
-        p.position[0] = site.r.x;
-        p.position[1] = site.r.y;
-        p.position[2] = site.r.z;
-
-        // mcpl requires that the direction vector is unit length
-        // which is also the case in openmc
-        p.direction[0] = site.u.x;
-        p.direction[1] = site.u.y;
-        p.direction[2] = site.u.z;
-
-        // MCPL stores kinetic energy in [MeV], time in [ms]
-        p.ekin = site.E * 1e-6;
-        p.time = site.time * 1e3;
-        p.weight = site.wgt;
-
+      for (const auto& site : sites_to_write) {
+        mcpl_particle_repr_t p_repr {};
+        p_repr.position[0] = site.r.x;
+        p_repr.position[1] = site.r.y;
+        p_repr.position[2] = site.r.z;
+        p_repr.direction[0] = site.u.x;
+        p_repr.direction[1] = site.u.y;
+        p_repr.direction[2] = site.u.z;
+        p_repr.ekin = site.E * 1e-6;
+        p_repr.time = site.time * 1e3;
+        p_repr.weight = site.wgt;
         switch (site.particle) {
         case ParticleType::neutron:
-          p.pdgcode = 2112;
+          p_repr.pdgcode = 2112;
           break;
         case ParticleType::photon:
-          p.pdgcode = 22;
+          p_repr.pdgcode = 22;
           break;
         case ParticleType::electron:
-          p.pdgcode = 11;
+          p_repr.pdgcode = 11;
           break;
         case ParticleType::positron:
-          p.pdgcode = -11;
+          p_repr.pdgcode = -11;
           break;
+        default:
+          continue;
         }
-
-        mcpl_add_particle(file_id, &p);
+        g_mcpl_api->add_particle(file_id, &p_repr);
       }
     }
-#ifdef OPENMC_MPI
-    // Restore state of source bank
-    std::copy(temp_source.begin(), temp_source.end(), source_bank.begin());
-#endif
   } else {
 #ifdef OPENMC_MPI
-    MPI_Send(source_bank.data(), count_size, mpi::source_site, 0, mpi::rank,
-      mpi::intracomm);
+    if (!local_source_bank.empty()) {
+      MPI_Send(local_source_bank.data(), local_source_bank.size(),
+        mpi::source_site, 0, mpi::rank, mpi::intracomm);
+    }
 #endif
   }
 }
-#endif
-
-//==============================================================================
 
 void write_mcpl_source_point(const char* filename, span<SourceSite> source_bank,
   const vector<int64_t>& bank_index)
 {
+  ensure_mcpl_ready_or_fatal();
+
   std::string filename_(filename);
   const auto extension = get_file_extension(filename_);
-  if (extension == "") {
+  if (extension.empty()) {
     filename_.append(".mcpl");
   } else if (extension != "mcpl") {
-    warning("write_mcpl_source_point was passed a file extension differing "
-            "from .mcpl, but an mcpl file will be written.");
+    warning(fmt::format("Specified filename '{}' has an extension '.{}', but "
+                        "an MCPL file (.mcpl) will be written using this name.",
+      filename, extension));
   }
 
-#ifdef OPENMC_MCPL
-  mcpl_outfile_t file_id;
+  mcpl_outfile_t* file_id = nullptr;
 
-  std::string line;
   if (mpi::master) {
-    file_id = mcpl_create_outfile(filename_.c_str());
+    file_id = g_mcpl_api->create_outfile(filename_.c_str());
+    if (!file_id) {
+      fatal_error(fmt::format(
+        "MCPL: Failed to create output file '{}'. Check permissions and path.",
+        filename_));
+    }
+    std::string src_line;
     if (VERSION_DEV) {
-      line = fmt::format("OpenMC {0}.{1}.{2}-dev{3}", VERSION_MAJOR,
+      src_line = fmt::format("OpenMC {}.{}.{}-dev{}", VERSION_MAJOR,
         VERSION_MINOR, VERSION_RELEASE, VERSION_COMMIT_COUNT);
     } else {
-      line = fmt::format(
-        "OpenMC {0}.{1}.{2}", VERSION_MAJOR, VERSION_MINOR, VERSION_RELEASE);
+      src_line = fmt::format(
+        "OpenMC {}.{}.{}", VERSION_MAJOR, VERSION_MINOR, VERSION_RELEASE);
     }
-    mcpl_hdr_set_srcname(file_id, line.c_str());
+    g_mcpl_api->hdr_set_srcname(file_id, src_line.c_str());
   }
 
-  write_mcpl_source_bank(file_id, source_bank, bank_index);
+  write_mcpl_source_bank_internal(file_id, source_bank, bank_index);
 
   if (mpi::master) {
-    mcpl_close_outfile(file_id);
+    if (file_id) {
+      g_mcpl_api->close_outfile(file_id);
+    }
   }
-#endif
 }
 
 } // namespace openmc
diff --git a/src/settings.cpp b/src/settings.cpp
index 9afe74361..afa42a3c5 100644
--- a/src/settings.cpp
+++ b/src/settings.cpp
@@ -844,12 +844,6 @@ void read_settings_xml(pugi::xml_node root)
     }
     if (check_for_node(node_sp, "mcpl")) {
       source_mcpl_write = get_node_value_bool(node_sp, "mcpl");
-
-      // Make sure MCPL support is enabled
-      if (source_mcpl_write && !MCPL_ENABLED) {
-        fatal_error(
-          "Your build of OpenMC does not support writing MCPL source files.");
-      }
     }
     if (check_for_node(node_sp, "overwrite_latest")) {
       source_latest = get_node_value_bool(node_sp, "overwrite_latest");
@@ -902,12 +896,6 @@ void read_settings_xml(pugi::xml_node root)
 
     if (check_for_node(node_ssw, "mcpl")) {
       surf_mcpl_write = get_node_value_bool(node_ssw, "mcpl");
-
-      // Make sure MCPL support is enabled
-      if (surf_mcpl_write && !MCPL_ENABLED) {
-        fatal_error("Your build of OpenMC does not support writing MCPL "
-                    "surface source files.");
-      }
     }
     // Get cell information
     if (check_for_node(node_ssw, "cell")) {
diff --git a/tests/regression_tests/source_mcpl_file/settings.xml b/tests/regression_tests/source_mcpl_file/settings.xml
index 47b010bff..bb08e6fd7 100644
--- a/tests/regression_tests/source_mcpl_file/settings.xml
+++ b/tests/regression_tests/source_mcpl_file/settings.xml
@@ -1,12 +1,11 @@
 <?xml version="1.0"?>
 <settings>
+  <run_mode>eigenvalue</run_mode>
   <state_point batches="10" />
   <source_point mcpl="true" separate="true" />
-  <eigenvalue>
-    <batches>10</batches>
-    <inactive>5</inactive>
-    <particles>1000</particles>
-  </eigenvalue>
+  <batches>10</batches>
+  <inactive>5</inactive>
+  <particles>1000</particles>
   <source>
     <space type="box">
       <parameters>-4 -4 -4  4  4  4</parameters>
diff --git a/tests/regression_tests/source_mcpl_file/test.py b/tests/regression_tests/source_mcpl_file/test.py
index 84ec005ae..6e668ef19 100644
--- a/tests/regression_tests/source_mcpl_file/test.py
+++ b/tests/regression_tests/source_mcpl_file/test.py
@@ -1,23 +1,23 @@
 #!/usr/bin/env python
-import openmc.lib
 import pytest
 import glob
 import os
-
+import shutil
 from tests.testing_harness import *
+
 pytestmark = pytest.mark.skipif(
-    not openmc.lib._mcpl_enabled(),
-    reason="MCPL is not enabled.")
+    shutil.which("mcpl-config") is None,
+    reason="mcpl-config command not found in PATH; MCPL is likely not available."
+)
 
 settings1="""<?xml version="1.0"?>
 <settings>
+  <run_mode>eigenvalue</run_mode>
   <state_point batches="10" />
   <source_point mcpl="true" separate="true" />
-  <eigenvalue>
-    <batches>10</batches>
-    <inactive>5</inactive>
-    <particles>1000</particles>
-  </eigenvalue>
+  <batches>10</batches>
+  <inactive>5</inactive>
+  <particles>1000</particles>
   <source>
     <space type="box">
       <parameters>-4 -4 -4  4  4  4</parameters>
@@ -28,11 +28,10 @@ settings1="""<?xml version="1.0"?>
 
 settings2 = """<?xml version="1.0"?>
 <settings>
-  <eigenvalue>
-    <batches>10</batches>
-    <inactive>5</inactive>
-    <particles>1000</particles>
-  </eigenvalue>
+  <run_mode>eigenvalue</run_mode>
+  <batches>10</batches>
+  <inactive>5</inactive>
+  <particles>1000</particles>
   <source>
     <file>source.10.{}</file>
   </source>

From bca818ced6c7c0a7fd1b331cb8057b682ecc854c Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Wed, 16 Jul 2025 22:29:41 -0500
Subject: [PATCH 2355/2654] Add accessor methods for LocalCoord (#3494)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 include/openmc/particle_data.h        |  54 +++++++++----
 include/openmc/plot.h                 |   2 +-
 src/cell.cpp                          |  10 +--
 src/dagmc.cpp                         |   4 +-
 src/geometry.cpp                      | 104 +++++++++++++-------------
 src/mesh.cpp                          |   6 +-
 src/output.cpp                        |  21 +++---
 src/particle.cpp                      |  36 ++++-----
 src/particle_data.cpp                 |  26 +++----
 src/plot.cpp                          |  16 ++--
 src/random_ray/flat_source_domain.cpp |   6 +-
 src/random_ray/random_ray.cpp         |  10 +--
 src/source.cpp                        |   7 +-
 src/tallies/filter_cell.cpp           |   2 +-
 src/tallies/filter_cell_instance.cpp  |   4 +-
 src/tallies/filter_distribcell.cpp    |   8 +-
 src/tallies/filter_universe.cpp       |   2 +-
 src/tallies/tally_scoring.cpp         |   6 +-
 src/universe.cpp                      |   4 +-
 src/volume_calc.cpp                   |   4 +-
 20 files changed, 179 insertions(+), 153 deletions(-)

diff --git a/include/openmc/particle_data.h b/include/openmc/particle_data.h
index be7fa7483..8dd814a29 100644
--- a/include/openmc/particle_data.h
+++ b/include/openmc/particle_data.h
@@ -88,13 +88,37 @@ public:
   //! clear data from a single coordinate level
   void reset();
 
-  Position r;  //!< particle position
-  Direction u; //!< particle direction
-  int cell {-1};
-  int universe {-1};
-  int lattice {-1};
-  array<int, 3> lattice_i {{-1, -1, -1}};
-  bool rotated {false}; //!< Is the level rotated?
+  // accessors
+  Position& r() { return r_; }
+  const Position& r() const { return r_; }
+
+  Direction& u() { return u_; }
+  const Direction& u() const { return u_; }
+
+  int& cell() { return cell_; }
+  const int& cell() const { return cell_; }
+
+  int& universe() { return universe_; }
+  const int& universe() const { return universe_; }
+
+  int& lattice() { return lattice_; }
+  int lattice() const { return lattice_; }
+
+  array<int, 3>& lattice_index() { return lattice_index_; }
+  const array<int, 3>& lattice_index() const { return lattice_index_; }
+
+  bool& rotated() { return rotated_; }
+  const bool& rotated() const { return rotated_; }
+
+private:
+  // Data members
+  Position r_;  //!< particle position
+  Direction u_; //!< particle direction
+  int cell_ {-1};
+  int universe_ {-1};
+  int lattice_ {-1};
+  array<int, 3> lattice_index_ {{-1, -1, -1}};
+  bool rotated_ {false}; //!< Is the level rotated?
 };
 
 //==============================================================================
@@ -301,20 +325,20 @@ public:
   const Position& u_last() const { return u_last_; }
 
   // Accessors for position in global coordinates
-  Position& r() { return coord_[0].r; }
-  const Position& r() const { return coord_[0].r; }
+  Position& r() { return coord_[0].r(); }
+  const Position& r() const { return coord_[0].r(); }
 
   // Accessors for position in local coordinates
-  Position& r_local() { return coord_[n_coord_ - 1].r; }
-  const Position& r_local() const { return coord_[n_coord_ - 1].r; }
+  Position& r_local() { return coord_[n_coord_ - 1].r(); }
+  const Position& r_local() const { return coord_[n_coord_ - 1].r(); }
 
   // Accessors for direction in global coordinates
-  Direction& u() { return coord_[0].u; }
-  const Direction& u() const { return coord_[0].u; }
+  Direction& u() { return coord_[0].u(); }
+  const Direction& u() const { return coord_[0].u(); }
 
   // Accessors for direction in local coordinates
-  Direction& u_local() { return coord_[n_coord_ - 1].u; }
-  const Direction& u_local() const { return coord_[n_coord_ - 1].u; }
+  Direction& u_local() { return coord_[n_coord_ - 1].u(); }
+  const Direction& u_local() const { return coord_[n_coord_ - 1].u(); }
 
   // Surface token for the surface that the particle is currently on
   int& surface() { return surface_; }
diff --git a/include/openmc/plot.h b/include/openmc/plot.h
index 69e801c5f..7e27679ea 100644
--- a/include/openmc/plot.h
+++ b/include/openmc/plot.h
@@ -223,7 +223,7 @@ T SlicePlotBase::get_map() const
     GeometryState p;
     p.r() = xyz;
     p.u() = dir;
-    p.coord(0).universe = model::root_universe;
+    p.coord(0).universe() = model::root_universe;
     int level = slice_level_;
     int j {};
 
diff --git a/src/cell.cpp b/src/cell.cpp
index 4b2699229..eb5c228bc 100644
--- a/src/cell.cpp
+++ b/src/cell.cpp
@@ -1314,10 +1314,10 @@ vector<ParentCell> Cell::find_parent_cells(
   bool cell_found = false;
   for (auto it = coords.begin(); it != coords.end(); it++) {
     const auto& coord = *it;
-    const auto& cell = model::cells[coord.cell];
+    const auto& cell = model::cells[coord.cell()];
     // if the cell at this level matches the current cell, stop adding to the
     // stack
-    if (coord.cell == model::cell_map[this->id_]) {
+    if (coord.cell() == model::cell_map[this->id_]) {
       cell_found = true;
       break;
     }
@@ -1327,10 +1327,10 @@ vector<ParentCell> Cell::find_parent_cells(
     int lattice_idx = C_NONE;
     if (cell->type_ == Fill::LATTICE) {
       const auto& next_coord = *(it + 1);
-      lattice_idx = model::lattices[next_coord.lattice]->get_flat_index(
-        next_coord.lattice_i);
+      lattice_idx = model::lattices[next_coord.lattice()]->get_flat_index(
+        next_coord.lattice_index());
     }
-    stack.push(coord.universe, {coord.cell, lattice_idx});
+    stack.push(coord.universe(), {coord.cell(), lattice_idx});
   }
 
   // if this loop finished because the cell was found and
diff --git a/src/dagmc.cpp b/src/dagmc.cpp
index 134360886..1d92d9d57 100644
--- a/src/dagmc.cpp
+++ b/src/dagmc.cpp
@@ -430,7 +430,7 @@ bool DAGUniverse::find_cell(GeometryState& p) const
   // cells, place it in the implicit complement
   bool found = Universe::find_cell(p);
   if (!found && model::universe_map[this->id_] != model::root_universe) {
-    p.lowest_coord().cell = implicit_complement_idx();
+    p.lowest_coord().cell() = implicit_complement_idx();
     found = true;
   }
   return found;
@@ -676,7 +676,7 @@ std::pair<double, int32_t> DAGCell::distance(
     p->history().reset();
   }
 
-  const auto& univ = model::universes[p->lowest_coord().universe];
+  const auto& univ = model::universes[p->lowest_coord().universe()];
 
   DAGUniverse* dag_univ = static_cast<DAGUniverse*>(univ.get());
   if (!dag_univ)
diff --git a/src/geometry.cpp b/src/geometry.cpp
index 9e975c00d..cefe7d364 100644
--- a/src/geometry.cpp
+++ b/src/geometry.cpp
@@ -38,17 +38,17 @@ bool check_cell_overlap(GeometryState& p, bool error)
 
   // Loop through each coordinate level
   for (int j = 0; j < n_coord; j++) {
-    Universe& univ = *model::universes[p.coord(j).universe];
+    Universe& univ = *model::universes[p.coord(j).universe()];
 
     // Loop through each cell on this level
     for (auto index_cell : univ.cells_) {
       Cell& c = *model::cells[index_cell];
-      if (c.contains(p.coord(j).r, p.coord(j).u, p.surface())) {
-        if (index_cell != p.coord(j).cell) {
+      if (c.contains(p.coord(j).r(), p.coord(j).u(), p.surface())) {
+        if (index_cell != p.coord(j).cell()) {
           if (error) {
             fatal_error(
               fmt::format("Overlapping cells detected: {}, {} on universe {}",
-                c.id_, model::cells[p.coord(j).cell]->id_, univ.id_));
+                c.id_, model::cells[p.coord(j).cell()]->id_, univ.id_));
           }
           return true;
         }
@@ -73,7 +73,7 @@ int cell_instance_at_level(const GeometryState& p, int level)
   }
 
   // determine the cell instance
-  Cell& c {*model::cells[p.coord(level).cell]};
+  Cell& c {*model::cells[p.coord(level).cell()]};
 
   // quick exit if this cell doesn't have distribcell instances
   if (c.distribcell_index_ == C_NONE)
@@ -82,13 +82,13 @@ int cell_instance_at_level(const GeometryState& p, int level)
   // compute the cell's instance
   int instance = 0;
   for (int i = 0; i < level; i++) {
-    const auto& c_i {*model::cells[p.coord(i).cell]};
+    const auto& c_i {*model::cells[p.coord(i).cell()]};
     if (c_i.type_ == Fill::UNIVERSE) {
       instance += c_i.offset_[c.distribcell_index_];
     } else if (c_i.type_ == Fill::LATTICE) {
       instance += c_i.offset_[c.distribcell_index_];
-      auto& lat {*model::lattices[p.coord(i + 1).lattice]};
-      const auto& i_xyz {p.coord(i + 1).lattice_i};
+      auto& lat {*model::lattices[p.coord(i + 1).lattice()]};
+      const auto& i_xyz {p.coord(i + 1).lattice_index()};
       if (lat.are_valid_indices(i_xyz)) {
         instance += lat.offset(c.distribcell_index_, i_xyz);
       }
@@ -111,7 +111,7 @@ bool find_cell_inner(
       i_cell = *it;
 
       // Make sure the search cell is in the same universe.
-      int i_universe = p.lowest_coord().universe;
+      int i_universe = p.lowest_coord().universe();
       if (model::cells[i_cell]->universe_ != i_universe)
         continue;
 
@@ -120,7 +120,7 @@ bool find_cell_inner(
       Direction u {p.u_local()};
       auto surf = p.surface();
       if (model::cells[i_cell]->contains(r, u, surf)) {
-        p.lowest_coord().cell = i_cell;
+        p.lowest_coord().cell() = i_cell;
         found = true;
         break;
       }
@@ -146,7 +146,7 @@ bool find_cell_inner(
     // code below this conditional, we set i_cell back to C_NONE to indicate
     // that.
     if (i_cell == C_NONE) {
-      int i_universe = p.lowest_coord().universe;
+      int i_universe = p.lowest_coord().universe();
       const auto& univ {model::universes[i_universe]};
       found = univ->find_cell(p);
     }
@@ -154,7 +154,7 @@ bool find_cell_inner(
     if (!found) {
       return found;
     }
-    i_cell = p.lowest_coord().cell;
+    i_cell = p.lowest_coord().cell();
 
     // Announce the cell that the particle is entering.
     if (found && verbose) {
@@ -186,14 +186,14 @@ bool find_cell_inner(
 
       // Set the lower coordinate level universe.
       auto& coord {p.coord(p.n_coord())};
-      coord.universe = c.fill_;
+      coord.universe() = c.fill_;
 
       // Set the position and direction.
-      coord.r = p.r_local();
-      coord.u = p.u_local();
+      coord.r() = p.r_local();
+      coord.u() = p.u_local();
 
       // Apply translation.
-      coord.r -= c.translation_;
+      coord.r() -= c.translation_;
 
       // Apply rotation.
       if (!c.rotation_.empty()) {
@@ -208,11 +208,11 @@ bool find_cell_inner(
 
       // Set the position and direction.
       auto& coord {p.coord(p.n_coord())};
-      coord.r = p.r_local();
-      coord.u = p.u_local();
+      coord.r() = p.r_local();
+      coord.u() = p.u_local();
 
       // Apply translation.
-      coord.r -= c.translation_;
+      coord.r() -= c.translation_;
 
       // Apply rotation.
       if (!c.rotation_.empty()) {
@@ -220,21 +220,21 @@ bool find_cell_inner(
       }
 
       // Determine lattice indices.
-      auto& i_xyz {coord.lattice_i};
-      lat.get_indices(coord.r, coord.u, i_xyz);
+      auto& i_xyz {coord.lattice_index()};
+      lat.get_indices(coord.r(), coord.u(), i_xyz);
 
       // Get local position in appropriate lattice cell
-      coord.r = lat.get_local_position(coord.r, i_xyz);
+      coord.r() = lat.get_local_position(coord.r(), i_xyz);
 
       // Set lattice indices.
-      coord.lattice = c.fill_;
+      coord.lattice() = c.fill_;
 
       // Set the lower coordinate level universe.
       if (lat.are_valid_indices(i_xyz)) {
-        coord.universe = lat[i_xyz];
+        coord.universe() = lat[i_xyz];
       } else {
         if (lat.outer_ != NO_OUTER_UNIVERSE) {
-          coord.universe = lat.outer_;
+          coord.universe() = lat.outer_;
         } else {
           p.mark_as_lost(fmt::format(
             "Particle {} left lattice {}, but it has no outer definition.",
@@ -261,7 +261,7 @@ bool neighbor_list_find_cell(GeometryState& p, bool verbose)
 
   // Get the cell this particle was in previously.
   auto coord_lvl = p.n_coord() - 1;
-  auto i_cell = p.coord(coord_lvl).cell;
+  auto i_cell = p.coord(coord_lvl).cell();
   Cell& c {*model::cells[i_cell]};
 
   // Search for the particle in that cell's neighbor list.  Return if we
@@ -275,15 +275,15 @@ bool neighbor_list_find_cell(GeometryState& p, bool verbose)
   // neighboring cell.
   found = find_cell_inner(p, nullptr, verbose);
   if (found)
-    c.neighbors_.push_back(p.coord(coord_lvl).cell);
+    c.neighbors_.push_back(p.coord(coord_lvl).cell());
   return found;
 }
 
 bool exhaustive_find_cell(GeometryState& p, bool verbose)
 {
-  int i_universe = p.lowest_coord().universe;
+  int i_universe = p.lowest_coord().universe();
   if (i_universe == C_NONE) {
-    p.coord(0).universe = model::root_universe;
+    p.coord(0).universe() = model::root_universe;
     p.n_coord() = 1;
     i_universe = model::root_universe;
   }
@@ -299,32 +299,32 @@ bool exhaustive_find_cell(GeometryState& p, bool verbose)
 void cross_lattice(GeometryState& p, const BoundaryInfo& boundary, bool verbose)
 {
   auto& coord {p.lowest_coord()};
-  auto& lat {*model::lattices[coord.lattice]};
+  auto& lat {*model::lattices[coord.lattice()]};
 
   if (verbose) {
     write_message(
       fmt::format("    Crossing lattice {}. Current position ({},{},{}). r={}",
-        lat.id_, coord.lattice_i[0], coord.lattice_i[1], coord.lattice_i[2],
-        p.r()),
+        lat.id_, coord.lattice_index()[0], coord.lattice_index()[1],
+        coord.lattice_index()[2], p.r()),
       1);
   }
 
   // Set the lattice indices.
-  coord.lattice_i[0] += boundary.lattice_translation[0];
-  coord.lattice_i[1] += boundary.lattice_translation[1];
-  coord.lattice_i[2] += boundary.lattice_translation[2];
+  coord.lattice_index()[0] += boundary.lattice_translation[0];
+  coord.lattice_index()[1] += boundary.lattice_translation[1];
+  coord.lattice_index()[2] += boundary.lattice_translation[2];
 
   // Set the new coordinate position.
   const auto& upper_coord {p.coord(p.n_coord() - 2)};
-  const auto& cell {model::cells[upper_coord.cell]};
-  Position r = upper_coord.r;
+  const auto& cell {model::cells[upper_coord.cell()]};
+  Position r = upper_coord.r();
   r -= cell->translation_;
   if (!cell->rotation_.empty()) {
     r = r.rotate(cell->rotation_);
   }
-  p.r_local() = lat.get_local_position(r, coord.lattice_i);
+  p.r_local() = lat.get_local_position(r, coord.lattice_index());
 
-  if (!lat.are_valid_indices(coord.lattice_i)) {
+  if (!lat.are_valid_indices(coord.lattice_index())) {
     // The particle is outside the lattice.  Search for it from the base coords.
     p.n_coord() = 1;
     bool found = exhaustive_find_cell(p);
@@ -337,7 +337,7 @@ void cross_lattice(GeometryState& p, const BoundaryInfo& boundary, bool verbose)
 
   } else {
     // Find cell in next lattice element.
-    p.lowest_coord().universe = lat[coord.lattice_i];
+    p.lowest_coord().universe() = lat[coord.lattice_index()];
     bool found = exhaustive_find_cell(p);
 
     if (!found) {
@@ -367,9 +367,9 @@ BoundaryInfo distance_to_boundary(GeometryState& p)
   // Loop over each coordinate level.
   for (int i = 0; i < p.n_coord(); i++) {
     const auto& coord {p.coord(i)};
-    const Position& r {coord.r};
-    const Direction& u {coord.u};
-    Cell& c {*model::cells[coord.cell]};
+    const Position& r {coord.r()};
+    const Direction& u {coord.u()};
+    Cell& c {*model::cells[coord.cell()]};
 
     // Find the oncoming surface in this cell and the distance to it.
     auto surface_distance = c.distance(r, u, p.surface(), &p);
@@ -377,24 +377,24 @@ BoundaryInfo distance_to_boundary(GeometryState& p)
     level_surf_cross = surface_distance.second;
 
     // Find the distance to the next lattice tile crossing.
-    if (coord.lattice != C_NONE) {
-      auto& lat {*model::lattices[coord.lattice]};
+    if (coord.lattice() != C_NONE) {
+      auto& lat {*model::lattices[coord.lattice()]};
       // TODO: refactor so both lattice use the same position argument (which
       // also means the lat.type attribute can be removed)
       std::pair<double, array<int, 3>> lattice_distance;
       switch (lat.type_) {
       case LatticeType::rect:
-        lattice_distance = lat.distance(r, u, coord.lattice_i);
+        lattice_distance = lat.distance(r, u, coord.lattice_index());
         break;
       case LatticeType::hex:
-        auto& cell_above {model::cells[p.coord(i - 1).cell]};
-        Position r_hex {p.coord(i - 1).r};
+        auto& cell_above {model::cells[p.coord(i - 1).cell()]};
+        Position r_hex {p.coord(i - 1).r()};
         r_hex -= cell_above->translation_;
-        if (coord.rotated) {
+        if (coord.rotated()) {
           r_hex = r_hex.rotate(cell_above->rotation_);
         }
-        r_hex.z = coord.r.z;
-        lattice_distance = lat.distance(r_hex, u, coord.lattice_i);
+        r_hex.z = coord.r().z;
+        lattice_distance = lat.distance(r_hex, u, coord.lattice_index());
         break;
       }
       d_lat = lattice_distance.first;
@@ -468,7 +468,7 @@ extern "C" int openmc_find_cell(
     return OPENMC_E_GEOMETRY;
   }
 
-  *index = geom_state.lowest_coord().cell;
+  *index = geom_state.lowest_coord().cell();
   *instance = geom_state.cell_instance();
   return 0;
 }
diff --git a/src/mesh.cpp b/src/mesh.cpp
index becbbd3fd..1b2c71eb2 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -368,11 +368,11 @@ void Mesh::material_volumes(int nx, int ny, int nz, int table_size,
 
           // Set birth cell attribute
           if (p.cell_born() == C_NONE)
-            p.cell_born() = p.lowest_coord().cell;
+            p.cell_born() = p.lowest_coord().cell();
 
           // Initialize last cells from current cell
           for (int j = 0; j < p.n_coord(); ++j) {
-            p.cell_last(j) = p.coord(j).cell;
+            p.cell_last(j) = p.coord(j).cell();
           }
           p.n_coord_last() = p.n_coord();
 
@@ -411,7 +411,7 @@ void Mesh::material_volumes(int nx, int ny, int nz, int table_size,
 
             // cross next geometric surface
             for (int j = 0; j < p.n_coord(); ++j) {
-              p.cell_last(j) = p.coord(j).cell;
+              p.cell_last(j) = p.coord(j).cell();
             }
             p.n_coord_last() = p.n_coord();
 
diff --git a/src/output.cpp b/src/output.cpp
index baaf682a1..0316e313e 100644
--- a/src/output.cpp
+++ b/src/output.cpp
@@ -177,25 +177,26 @@ void print_particle(Particle& p)
   for (auto i = 0; i < p.n_coord(); i++) {
     fmt::print("  Level {}\n", i);
 
-    if (p.coord(i).cell != C_NONE) {
-      const Cell& c {*model::cells[p.coord(i).cell]};
+    if (p.coord(i).cell() != C_NONE) {
+      const Cell& c {*model::cells[p.coord(i).cell()]};
       fmt::print("    Cell             = {}\n", c.id_);
     }
 
-    if (p.coord(i).universe != C_NONE) {
-      const Universe& u {*model::universes[p.coord(i).universe]};
+    if (p.coord(i).universe() != C_NONE) {
+      const Universe& u {*model::universes[p.coord(i).universe()]};
       fmt::print("    Universe         = {}\n", u.id_);
     }
 
-    if (p.coord(i).lattice != C_NONE) {
-      const Lattice& lat {*model::lattices[p.coord(i).lattice]};
+    if (p.coord(i).lattice() != C_NONE) {
+      const Lattice& lat {*model::lattices[p.coord(i).lattice()]};
       fmt::print("    Lattice          = {}\n", lat.id_);
-      fmt::print("    Lattice position = ({},{},{})\n", p.coord(i).lattice_i[0],
-        p.coord(i).lattice_i[1], p.coord(i).lattice_i[2]);
+      fmt::print("    Lattice position = ({},{},{})\n",
+        p.coord(i).lattice_index()[0], p.coord(i).lattice_index()[1],
+        p.coord(i).lattice_index()[2]);
     }
 
-    fmt::print("    r = {}\n", p.coord(i).r);
-    fmt::print("    u = {}\n", p.coord(i).u);
+    fmt::print("    r = {}\n", p.coord(i).r());
+    fmt::print("    u = {}\n", p.coord(i).u());
   }
 
   // Display miscellaneous info.
diff --git a/src/particle.cpp b/src/particle.cpp
index 6cfdf2175..4758cded5 100644
--- a/src/particle.cpp
+++ b/src/particle.cpp
@@ -176,7 +176,7 @@ void Particle::event_calculate_xs()
   // If the cell hasn't been determined based on the particle's location,
   // initiate a search for the current cell. This generally happens at the
   // beginning of the history and again for any secondary particles
-  if (lowest_coord().cell == C_NONE) {
+  if (lowest_coord().cell() == C_NONE) {
     if (!exhaustive_find_cell(*this)) {
       mark_as_lost(
         "Could not find the cell containing particle " + std::to_string(id()));
@@ -185,11 +185,11 @@ void Particle::event_calculate_xs()
 
     // Set birth cell attribute
     if (cell_born() == C_NONE)
-      cell_born() = lowest_coord().cell;
+      cell_born() = lowest_coord().cell();
 
     // Initialize last cells from current cell
     for (int j = 0; j < n_coord(); ++j) {
-      cell_last(j) = coord(j).cell;
+      cell_last(j) = coord(j).cell();
     }
     n_coord_last() = n_coord();
   }
@@ -248,7 +248,7 @@ void Particle::event_advance()
   // Short-term solution until the surface source is revised and we can use
   // this->move_distance(distance)
   for (int j = 0; j < n_coord(); ++j) {
-    coord(j).r += distance * coord(j).u;
+    coord(j).r() += distance * coord(j).u();
   }
   double dt = distance / this->speed();
   this->time() += dt;
@@ -293,7 +293,7 @@ void Particle::event_cross_surface()
 {
   // Saving previous cell data
   for (int j = 0; j < n_coord(); ++j) {
-    cell_last(j) = coord(j).cell;
+    cell_last(j) = coord(j).cell();
   }
   n_coord_last() = n_coord();
 
@@ -393,14 +393,14 @@ void Particle::event_collide()
   // Set all directions to base level -- right now, after a collision, only
   // the base level directions are changed
   for (int j = 0; j < n_coord() - 1; ++j) {
-    if (coord(j + 1).rotated) {
+    if (coord(j + 1).rotated()) {
       // If next level is rotated, apply rotation matrix
-      const auto& m {model::cells[coord(j).cell]->rotation_};
-      const auto& u {coord(j).u};
-      coord(j + 1).u = u.rotate(m);
+      const auto& m {model::cells[coord(j).cell()]->rotation_};
+      const auto& u {coord(j).u()};
+      coord(j + 1).u() = u.rotate(m);
     } else {
       // Otherwise, copy this level's direction
-      coord(j + 1).u = coord(j).u;
+      coord(j + 1).u() = coord(j).u();
     }
   }
 
@@ -445,7 +445,7 @@ void Particle::event_revive_from_secondary()
       // Since the birth cell of the particle has not been set we
       // have to determine it before the energy of the secondary particle can be
       // removed from the pulse-height of this cell.
-      if (lowest_coord().cell == C_NONE) {
+      if (lowest_coord().cell() == C_NONE) {
         bool verbose = settings::verbosity >= 10 || trace();
         if (!exhaustive_find_cell(*this, verbose)) {
           mark_as_lost("Could not find the cell containing particle " +
@@ -454,11 +454,11 @@ void Particle::event_revive_from_secondary()
         }
         // Set birth cell attribute
         if (cell_born() == C_NONE)
-          cell_born() = lowest_coord().cell;
+          cell_born() = lowest_coord().cell();
 
         // Initialize last cells from current cell
         for (int j = 0; j < n_coord(); ++j) {
-          cell_last(j) = coord(j).cell;
+          cell_last(j) = coord(j).cell();
         }
         n_coord_last() = n_coord();
       }
@@ -516,7 +516,7 @@ void Particle::pht_collision_energy()
 
   // determine index of cell in pulse_height_cells
   auto it = std::find(model::pulse_height_cells.begin(),
-    model::pulse_height_cells.end(), lowest_coord().cell);
+    model::pulse_height_cells.end(), lowest_coord().cell());
 
   if (it != model::pulse_height_cells.end()) {
     int index = std::distance(model::pulse_height_cells.begin(), it);
@@ -571,13 +571,13 @@ void Particle::cross_surface(const Surface& surf)
   // in DAGMC, we know what the next cell should be
   if (surf.geom_type() == GeometryType::DAG) {
     int32_t i_cell = next_cell(surface_index(), cell_last(n_coord() - 1),
-                       lowest_coord().universe) -
+                       lowest_coord().universe()) -
                      1;
     // save material and temp
     material_last() = material();
     sqrtkT_last() = sqrtkT();
     // set new cell value
-    lowest_coord().cell = i_cell;
+    lowest_coord().cell() = i_cell;
     auto& cell = model::cells[i_cell];
 
     cell_instance() = 0;
@@ -681,7 +681,7 @@ void Particle::cross_reflective_bc(const Surface& surf, Direction new_u)
   u() = new_u;
 
   // Reassign particle's cell and surface
-  coord(0).cell = cell_last(0);
+  coord(0).cell() = cell_last(0);
   surface() = -surface();
 
   // If a reflective surface is coincident with a lattice or universe
@@ -942,7 +942,7 @@ void add_surf_source_to_bank(Particle& p, const Surface& surf)
     // Check if the cell of interest has been entered
     bool entered = false;
     for (int i = 0; i < p.n_coord(); ++i) {
-      if (p.coord(i).cell == cell_idx) {
+      if (p.coord(i).cell() == cell_idx) {
         entered = true;
       }
     }
diff --git a/src/particle_data.cpp b/src/particle_data.cpp
index fef8359a3..aff2b68ba 100644
--- a/src/particle_data.cpp
+++ b/src/particle_data.cpp
@@ -32,20 +32,20 @@ void GeometryState::mark_as_lost(const std::stringstream& message)
 
 void LocalCoord::rotate(const vector<double>& rotation)
 {
-  r = r.rotate(rotation);
-  u = u.rotate(rotation);
-  rotated = true;
+  r_ = r_.rotate(rotation);
+  u_ = u_.rotate(rotation);
+  rotated_ = true;
 }
 
 void LocalCoord::reset()
 {
-  cell = C_NONE;
-  universe = C_NONE;
-  lattice = C_NONE;
-  lattice_i[0] = 0;
-  lattice_i[1] = 0;
-  lattice_i[2] = 0;
-  rotated = false;
+  cell_ = C_NONE;
+  universe_ = C_NONE;
+  lattice_ = C_NONE;
+  lattice_index_[0] = 0;
+  lattice_index_[1] = 0;
+  lattice_index_[2] = 0;
+  rotated_ = false;
 }
 
 GeometryState::GeometryState()
@@ -64,7 +64,7 @@ void GeometryState::advance_to_boundary_from_void()
 
   for (auto c_i : root_universe->cells_) {
     auto dist =
-      model::cells.at(c_i)->distance(root_coord.r, root_coord.u, 0, this);
+      model::cells.at(c_i)->distance(root_coord.r(), root_coord.u(), 0, this);
     if (dist.first < boundary().distance) {
       boundary().distance = dist.first;
       boundary().surface = dist.second;
@@ -86,7 +86,7 @@ void GeometryState::advance_to_boundary_from_void()
 void GeometryState::move_distance(double length)
 {
   for (int j = 0; j < n_coord(); ++j) {
-    coord(j).r += length * coord(j).u;
+    coord(j).r() += length * coord(j).u();
   }
 }
 
@@ -123,7 +123,7 @@ TrackState ParticleData::get_track_state() const
   state.E = this->E();
   state.time = this->time();
   state.wgt = this->wgt();
-  state.cell_id = model::cells[this->lowest_coord().cell]->id_;
+  state.cell_id = model::cells[this->lowest_coord().cell()]->id_;
   state.cell_instance = this->cell_instance();
   if (this->material() != MATERIAL_VOID) {
     state.material_id = model::materials[material()]->id_;
diff --git a/src/plot.cpp b/src/plot.cpp
index dbc25b21e..db10c7600 100644
--- a/src/plot.cpp
+++ b/src/plot.cpp
@@ -54,14 +54,14 @@ void IdData::set_value(size_t y, size_t x, const GeometryState& p, int level)
     data_(y, x, 0) = NOT_FOUND;
     data_(y, x, 1) = NOT_FOUND;
   } else {
-    data_(y, x, 0) = model::cells.at(p.coord(level).cell)->id_;
+    data_(y, x, 0) = model::cells.at(p.coord(level).cell())->id_;
     data_(y, x, 1) = level == p.n_coord() - 1
                        ? p.cell_instance()
                        : cell_instance_at_level(p, level);
   }
 
   // set material data
-  Cell* c = model::cells.at(p.lowest_coord().cell).get();
+  Cell* c = model::cells.at(p.lowest_coord().cell()).get();
   if (p.material() == MATERIAL_VOID) {
     data_(y, x, 2) = MATERIAL_VOID;
     return;
@@ -83,7 +83,7 @@ PropertyData::PropertyData(size_t h_res, size_t v_res)
 void PropertyData::set_value(
   size_t y, size_t x, const GeometryState& p, int level)
 {
-  Cell* c = model::cells.at(p.lowest_coord().cell).get();
+  Cell* c = model::cells.at(p.lowest_coord().cell()).get();
   data_(y, x, 0) = (p.sqrtkT() * p.sqrtkT()) / K_BOLTZMANN;
   if (c->type_ != Fill::UNIVERSE && p.material() != MATERIAL_VOID) {
     Material* m = model::materials.at(p.material()).get();
@@ -1692,7 +1692,7 @@ void Ray::trace()
 
     // Advance particle, prepare for next intersection
     for (int lev = 0; lev < n_coord(); ++lev) {
-      coord(lev).r += boundary().distance * coord(lev).u;
+      coord(lev).r() += boundary().distance * coord(lev).u();
     }
     surface() = boundary().surface;
     n_coord_last() = n_coord();
@@ -1743,7 +1743,7 @@ void ProjectionRay::on_intersection()
   line_segments_.emplace_back(
     plot_.color_by_ == PlottableInterface::PlotColorBy::mats
       ? material()
-      : lowest_coord().cell,
+      : lowest_coord().cell(),
     traversal_distance_, boundary().surface_index());
 }
 
@@ -1752,7 +1752,7 @@ void PhongRay::on_intersection()
   // Check if we hit an opaque material or cell
   int hit_id = plot_.color_by_ == PlottableInterface::PlotColorBy::mats
                  ? material()
-                 : lowest_coord().cell;
+                 : lowest_coord().cell();
 
   // If we are reflected and have advanced beyond the camera,
   // the ray is done. This is checked here because we should
@@ -1798,8 +1798,8 @@ void PhongRay::on_intersection()
     // Need to apply translations to find the normal vector in
     // the base level universe's coordinate system.
     for (int lev = n_coord() - 2; lev >= 0; --lev) {
-      if (coord(lev + 1).rotated) {
-        const Cell& c {*model::cells[coord(lev).cell]};
+      if (coord(lev + 1).rotated()) {
+        const Cell& c {*model::cells[coord(lev).cell()]};
         normal = normal.inverse_rotate(c.rotation_);
       }
     }
diff --git a/src/random_ray/flat_source_domain.cpp b/src/random_ray/flat_source_domain.cpp
index 4a5b43036..b04b72981 100644
--- a/src/random_ray/flat_source_domain.cpp
+++ b/src/random_ray/flat_source_domain.cpp
@@ -794,7 +794,7 @@ void FlatSourceDomain::output_to_vtk() const
             continue;
           }
 
-          int i_cell = p.lowest_coord().cell;
+          int i_cell = p.lowest_coord().cell();
           int64_t sr = source_region_offsets_[i_cell] + p.cell_instance();
           if (RandomRay::mesh_subdivision_enabled_) {
             int mesh_idx = base_source_regions_.mesh(sr);
@@ -1070,7 +1070,7 @@ void FlatSourceDomain::convert_external_sources()
                                 "point source at {}",
           sp->r()));
       }
-      int i_cell = gs.lowest_coord().cell;
+      int i_cell = gs.lowest_coord().cell();
       int64_t sr = source_region_offsets_[i_cell] + gs.cell_instance();
 
       if (RandomRay::mesh_subdivision_enabled_) {
@@ -1475,7 +1475,7 @@ SourceRegionHandle FlatSourceDomain::get_subdivided_source_region_handle(
   gs.r() = r + TINY_BIT * u;
   gs.u() = {1.0, 0.0, 0.0};
   exhaustive_find_cell(gs);
-  int gs_i_cell = gs.lowest_coord().cell;
+  int gs_i_cell = gs.lowest_coord().cell();
   int64_t sr_found = source_region_offsets_[gs_i_cell] + gs.cell_instance();
   if (sr_found != sr) {
     discovered_source_regions_.unlock(sr_key);
diff --git a/src/random_ray/random_ray.cpp b/src/random_ray/random_ray.cpp
index 36eab0628..2eca5b0ab 100644
--- a/src/random_ray/random_ray.cpp
+++ b/src/random_ray/random_ray.cpp
@@ -330,14 +330,14 @@ void RandomRay::event_advance_ray()
 
   // Advance particle
   for (int j = 0; j < n_coord(); ++j) {
-    coord(j).r += distance * coord(j).u;
+    coord(j).r() += distance * coord(j).u();
   }
 }
 
 void RandomRay::attenuate_flux(double distance, bool is_active, double offset)
 {
   // Determine source region index etc.
-  int i_cell = lowest_coord().cell;
+  int i_cell = lowest_coord().cell();
 
   // The base source region is the spatial region index
   int64_t sr = domain_->source_region_offsets_[i_cell] + cell_instance();
@@ -799,7 +799,7 @@ void RandomRay::initialize_ray(uint64_t ray_id, FlatSourceDomain* domain)
   this->from_source(&site);
 
   // Locate ray
-  if (lowest_coord().cell == C_NONE) {
+  if (lowest_coord().cell() == C_NONE) {
     if (!exhaustive_find_cell(*this)) {
       this->mark_as_lost(
         "Could not find the cell containing particle " + std::to_string(id()));
@@ -807,12 +807,12 @@ void RandomRay::initialize_ray(uint64_t ray_id, FlatSourceDomain* domain)
 
     // Set birth cell attribute
     if (cell_born() == C_NONE)
-      cell_born() = lowest_coord().cell;
+      cell_born() = lowest_coord().cell();
   }
 
   // Initialize ray's starting angular flux to starting location's isotropic
   // source
-  int i_cell = lowest_coord().cell;
+  int i_cell = lowest_coord().cell();
   int64_t sr = domain_->source_region_offsets_[i_cell] + cell_instance();
 
   SourceRegionHandle srh;
diff --git a/src/source.cpp b/src/source.cpp
index 65873f5a7..ae3daa404 100644
--- a/src/source.cpp
+++ b/src/source.cpp
@@ -246,9 +246,10 @@ bool Source::satisfies_spatial_constraints(Position r) const
       }
     } else {
       for (int i = 0; i < geom_state.n_coord(); i++) {
-        auto id = (domain_type_ == DomainType::CELL)
-                    ? model::cells[geom_state.coord(i).cell]->id_
-                    : model::universes[geom_state.coord(i).universe]->id_;
+        auto id =
+          (domain_type_ == DomainType::CELL)
+            ? model::cells[geom_state.coord(i).cell()].get()->id_
+            : model::universes[geom_state.coord(i).universe()].get()->id_;
         if ((accepted = contains(domain_ids_, id)))
           break;
       }
diff --git a/src/tallies/filter_cell.cpp b/src/tallies/filter_cell.cpp
index b545801ea..7a6394956 100644
--- a/src/tallies/filter_cell.cpp
+++ b/src/tallies/filter_cell.cpp
@@ -49,7 +49,7 @@ void CellFilter::get_all_bins(
   const Particle& p, TallyEstimator estimator, FilterMatch& match) const
 {
   for (int i = 0; i < p.n_coord(); i++) {
-    auto search = map_.find(p.coord(i).cell);
+    auto search = map_.find(p.coord(i).cell());
     if (search != map_.end()) {
       match.bins_.push_back(search->second);
       match.weights_.push_back(1.0);
diff --git a/src/tallies/filter_cell_instance.cpp b/src/tallies/filter_cell_instance.cpp
index 0634175dd..316a758d1 100644
--- a/src/tallies/filter_cell_instance.cpp
+++ b/src/tallies/filter_cell_instance.cpp
@@ -73,7 +73,7 @@ void CellInstanceFilter::set_cell_instances(span<CellInstance> instances)
 void CellInstanceFilter::get_all_bins(
   const Particle& p, TallyEstimator estimator, FilterMatch& match) const
 {
-  int64_t index_cell = p.lowest_coord().cell;
+  int64_t index_cell = p.lowest_coord().cell();
   int64_t instance = p.cell_instance();
 
   if (cells_.count(index_cell) > 0) {
@@ -89,7 +89,7 @@ void CellInstanceFilter::get_all_bins(
     return;
 
   for (int i = 0; i < p.n_coord() - 1; i++) {
-    int64_t index_cell = p.coord(i).cell;
+    int64_t index_cell = p.coord(i).cell();
     // if this cell isn't used on the filter, move on
     if (cells_.count(index_cell) == 0)
       continue;
diff --git a/src/tallies/filter_distribcell.cpp b/src/tallies/filter_distribcell.cpp
index 821e843da..02e88dde2 100644
--- a/src/tallies/filter_distribcell.cpp
+++ b/src/tallies/filter_distribcell.cpp
@@ -43,18 +43,18 @@ void DistribcellFilter::get_all_bins(
   int offset = 0;
   auto distribcell_index = model::cells[cell_]->distribcell_index_;
   for (int i = 0; i < p.n_coord(); i++) {
-    auto& c {*model::cells[p.coord(i).cell]};
+    auto& c {*model::cells[p.coord(i).cell()]};
     if (c.type_ == Fill::UNIVERSE) {
       offset += c.offset_[distribcell_index];
     } else if (c.type_ == Fill::LATTICE) {
-      auto& lat {*model::lattices[p.coord(i + 1).lattice]};
-      const auto& i_xyz {p.coord(i + 1).lattice_i};
+      auto& lat {*model::lattices[p.coord(i + 1).lattice()]};
+      const auto& i_xyz {p.coord(i + 1).lattice_index()};
       if (lat.are_valid_indices(i_xyz)) {
         offset +=
           lat.offset(distribcell_index, i_xyz) + c.offset_[distribcell_index];
       }
     }
-    if (cell_ == p.coord(i).cell) {
+    if (cell_ == p.coord(i).cell()) {
       match.bins_.push_back(offset);
       match.weights_.push_back(1.0);
       return;
diff --git a/src/tallies/filter_universe.cpp b/src/tallies/filter_universe.cpp
index 48114cfad..f4b22decd 100644
--- a/src/tallies/filter_universe.cpp
+++ b/src/tallies/filter_universe.cpp
@@ -48,7 +48,7 @@ void UniverseFilter::get_all_bins(
   const Particle& p, TallyEstimator estimator, FilterMatch& match) const
 {
   for (int i = 0; i < p.n_coord(); i++) {
-    auto search = map_.find(p.coord(i).universe);
+    auto search = map_.find(p.coord(i).universe());
     if (search != map_.end()) {
       match.bins_.push_back(search->second);
       match.weights_.push_back(1.0);
diff --git a/src/tallies/tally_scoring.cpp b/src/tallies/tally_scoring.cpp
index 71b103cfb..e73fb90f3 100644
--- a/src/tallies/tally_scoring.cpp
+++ b/src/tallies/tally_scoring.cpp
@@ -2615,7 +2615,7 @@ void score_pulse_height_tally(Particle& p, const vector<int>& tallies)
 
   // Save original cell/energy information
   int orig_n_coord = p.n_coord();
-  int orig_cell = p.coord(0).cell;
+  int orig_cell = p.coord(0).cell();
   double orig_E_last = p.E_last();
 
   for (auto i_tally : tallies) {
@@ -2634,7 +2634,7 @@ void score_pulse_height_tally(Particle& p, const vector<int>& tallies)
 
           // Temporarily change cell of particle
           p.n_coord() = 1;
-          p.coord(0).cell = cell_id;
+          p.coord(0).cell() = cell_id;
 
           // Determine index of cell in model::pulse_height_cells
           auto it = std::find(model::pulse_height_cells.begin(),
@@ -2674,7 +2674,7 @@ void score_pulse_height_tally(Particle& p, const vector<int>& tallies)
     }
     // Restore cell/energy
     p.n_coord() = orig_n_coord;
-    p.coord(0).cell = orig_cell;
+    p.coord(0).cell() = orig_cell;
     p.E_last() = orig_E_last;
   }
 }
diff --git a/src/universe.cpp b/src/universe.cpp
index b4ef6b4b2..78ddd54d4 100644
--- a/src/universe.cpp
+++ b/src/universe.cpp
@@ -45,14 +45,14 @@ bool Universe::find_cell(GeometryState& p) const
   Position r {p.r_local()};
   Position u {p.u_local()};
   auto surf = p.surface();
-  int32_t i_univ = p.lowest_coord().universe;
+  int32_t i_univ = p.lowest_coord().universe();
 
   for (auto i_cell : cells) {
     if (model::cells[i_cell]->universe_ != i_univ)
       continue;
     // Check if this cell contains the particle
     if (model::cells[i_cell]->contains(r, u, surf)) {
-      p.lowest_coord().cell = i_cell;
+      p.lowest_coord().cell() = i_cell;
       return true;
     }
   }
diff --git a/src/volume_calc.cpp b/src/volume_calc.cpp
index 8b5c27f14..1deffb804 100644
--- a/src/volume_calc.cpp
+++ b/src/volume_calc.cpp
@@ -179,7 +179,7 @@ vector<VolumeCalculation::Result> VolumeCalculation::execute() const
         } else if (domain_type_ == TallyDomain::CELL) {
           for (int level = 0; level < p.n_coord(); ++level) {
             for (int i_domain = 0; i_domain < n; i_domain++) {
-              if (model::cells[p.coord(level).cell]->id_ ==
+              if (model::cells[p.coord(level).cell()]->id_ ==
                   domain_ids_[i_domain]) {
                 this->check_hit(
                   p.material(), indices[i_domain], hits[i_domain]);
@@ -190,7 +190,7 @@ vector<VolumeCalculation::Result> VolumeCalculation::execute() const
         } else if (domain_type_ == TallyDomain::UNIVERSE) {
           for (int level = 0; level < p.n_coord(); ++level) {
             for (int i_domain = 0; i_domain < n; ++i_domain) {
-              if (model::universes[p.coord(level).universe]->id_ ==
+              if (model::universes[p.coord(level).universe()]->id_ ==
                   domain_ids_[i_domain]) {
                 check_hit(p.material(), indices[i_domain], hits[i_domain]);
                 break;

From 4483583dddf291e6c324399511fbbccfd582e908 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Fri, 18 Jul 2025 08:46:13 +0200
Subject: [PATCH 2356/2654] automatically finding appropriate dimension when
 making regular mesh from domain (#3468)

---
 openmc/mesh.py                            | 19 +++++++++++++++---
 tests/unit_tests/test_mesh_from_domain.py | 24 +++++++++++++++++++++++
 2 files changed, 40 insertions(+), 3 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 56fe2bd1c..339702884 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -1094,7 +1094,7 @@ class RegularMesh(StructuredMesh):
     def from_domain(
         cls,
         domain: HasBoundingBox,
-        dimension: Sequence[int] = (10, 10, 10),
+        dimension: Sequence[int] | int = 1000,
         mesh_id: int | None = None,
         name: str = ''
     ):
@@ -1106,8 +1106,11 @@ class RegularMesh(StructuredMesh):
             The object passed in will be used as a template for this mesh. The
             bounding box of the property of the object passed will be used to
             set the lower_left and upper_right and of the mesh instance
-        dimension : Iterable of int
-            The number of mesh cells in each direction (x, y, z).
+        dimension : Iterable of int | int
+            The number of mesh cells in total or number of mesh cells in each
+            direction (x, y, z). If a single integer is provided, the domain
+            will will be divided into that many mesh cells with roughly equal
+            lengths in each direction (cubes).
         mesh_id : int
             Unique identifier for the mesh
         name : str
@@ -1125,6 +1128,16 @@ class RegularMesh(StructuredMesh):
         mesh = cls(mesh_id=mesh_id, name=name)
         mesh.lower_left = domain.bounding_box[0]
         mesh.upper_right = domain.bounding_box[1]
+        if isinstance(dimension, int):
+            cv.check_greater_than("dimension", dimension, 1, equality=True)
+            # If a single integer is provided, divide the domain into that many
+            # mesh cells with roughly equal lengths in each direction
+            ideal_cube_volume = domain.bounding_box.volume / dimension
+            ideal_cube_size = ideal_cube_volume ** (1 / 3)
+            dimension = [
+                max(1, int(round(side / ideal_cube_size)))
+                for side in domain.bounding_box.width
+            ]
         mesh.dimension = dimension
 
         return mesh
diff --git a/tests/unit_tests/test_mesh_from_domain.py b/tests/unit_tests/test_mesh_from_domain.py
index 0e3858913..5b1173126 100644
--- a/tests/unit_tests/test_mesh_from_domain.py
+++ b/tests/unit_tests/test_mesh_from_domain.py
@@ -147,3 +147,27 @@ def test_reg_mesh_from_geometry():
 def test_error_from_unsupported_object():
     with pytest.raises(TypeError):
         openmc.RegularMesh.from_domain("vacuum energy")
+
+
+def test_regularmesh_from_domain_error_from_small_dimensions():
+    surface = openmc.Sphere(r=20)
+    cell = openmc.Cell(region=-surface)
+    with pytest.raises(
+        ValueError, match='Unable to set "dimension" to "-2" since it is less than "1"'
+    ):
+        openmc.RegularMesh.from_domain(domain=cell, dimension=-2)
+
+
+def test_dimensions_from_domain_dimensions_from_int():
+    region = openmc.model.RectangularParallelepiped(
+        xmin=-100,
+        xmax=150,
+        ymin=-50,
+        ymax=200,
+        zmin=300,
+        zmax=400,
+        boundary_type="vacuum",
+    )
+    cell = openmc.Cell(region=-region)
+    mesh = openmc.RegularMesh.from_domain(domain=cell, dimension=1000)
+    assert mesh.dimension == (14, 14, 5)

From 637e04a9ba9ceae8cb09eb66203e1581d465fa56 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 18 Jul 2025 02:51:30 -0500
Subject: [PATCH 2357/2654] Boundary info accessors (#3496)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 include/openmc/particle_data.h | 44 ++++++++++++++++++++++++----------
 src/event.cpp                  |  2 +-
 src/geometry.cpp               | 28 +++++++++++-----------
 src/mesh.cpp                   | 12 +++++-----
 src/particle.cpp               | 12 +++++-----
 src/particle_data.cpp          | 14 +++++------
 src/plot.cpp                   | 28 +++++++++++-----------
 src/random_ray/random_ray.cpp  |  2 +-
 src/simulation.cpp             |  2 +-
 9 files changed, 81 insertions(+), 63 deletions(-)

diff --git a/include/openmc/particle_data.h b/include/openmc/particle_data.h
index 8dd814a29..1c8f1215a 100644
--- a/include/openmc/particle_data.h
+++ b/include/openmc/particle_data.h
@@ -210,23 +210,41 @@ struct CacheDataMG {
 // Information about nearest boundary crossing
 //==============================================================================
 
-struct BoundaryInfo {
-  double distance {INFINITY}; //!< distance to nearest boundary
-  int surface {
-    SURFACE_NONE}; //!< surface token, non-zero if boundary is surface
-  int coord_level; //!< coordinate level after crossing boundary
-  array<int, 3>
-    lattice_translation {}; //!< which way lattice indices will change
-
+class BoundaryInfo {
+public:
   void reset()
   {
-    distance = INFINITY;
-    surface = SURFACE_NONE;
-    coord_level = 0;
-    lattice_translation = {0, 0, 0};
+    distance_ = INFINITY;
+    surface_ = SURFACE_NONE;
+    coord_level_ = 0;
+    lattice_translation_ = {0, 0, 0};
   }
+  double& distance() { return distance_; }
+  const double& distance() const { return distance_; }
+
+  int& surface() { return surface_; }
+  const int& surface() const { return surface_; }
+
+  int coord_level() const { return coord_level_; }
+  int& coord_level() { return coord_level_; }
+
+  array<int, 3>& lattice_translation() { return lattice_translation_; }
+  const array<int, 3>& lattice_translation() const
+  {
+    return lattice_translation_;
+  }
+
   // TODO: off-by-one
-  int surface_index() const { return std::abs(surface) - 1; }
+  int surface_index() const { return std::abs(surface()) - 1; }
+
+private:
+  // Data members
+  double distance_ {INFINITY}; //!< distance to nearest boundary
+  int surface_ {
+    SURFACE_NONE};      //!< surface token, non-zero if boundary is surface
+  int coord_level_ {0}; //!< coordinate level after crossing boundary
+  array<int, 3> lattice_translation_ {
+    0, 0, 0}; //!< which way lattice indices will change
 };
 
 /*
diff --git a/src/event.cpp b/src/event.cpp
index ae914c8be..aa3987504 100644
--- a/src/event.cpp
+++ b/src/event.cpp
@@ -114,7 +114,7 @@ void process_advance_particle_events()
     p.event_advance();
     if (!p.alive())
       continue;
-    if (p.collision_distance() > p.boundary().distance) {
+    if (p.collision_distance() > p.boundary().distance()) {
       simulation::surface_crossing_queue.thread_safe_append({p, buffer_idx});
     } else {
       simulation::collision_queue.thread_safe_append({p, buffer_idx});
diff --git a/src/geometry.cpp b/src/geometry.cpp
index cefe7d364..df4850891 100644
--- a/src/geometry.cpp
+++ b/src/geometry.cpp
@@ -310,9 +310,9 @@ void cross_lattice(GeometryState& p, const BoundaryInfo& boundary, bool verbose)
   }
 
   // Set the lattice indices.
-  coord.lattice_index()[0] += boundary.lattice_translation[0];
-  coord.lattice_index()[1] += boundary.lattice_translation[1];
-  coord.lattice_index()[2] += boundary.lattice_translation[2];
+  coord.lattice_index()[0] += boundary.lattice_translation()[0];
+  coord.lattice_index()[1] += boundary.lattice_translation()[1];
+  coord.lattice_index()[2] += boundary.lattice_translation()[2];
 
   // Set the new coordinate position.
   const auto& upper_coord {p.coord(p.n_coord() - 2)};
@@ -410,7 +410,7 @@ BoundaryInfo distance_to_boundary(GeometryState& p)
     // If the boundary on this coordinate level is coincident with a boundary on
     // a higher level then we need to make sure that the higher level boundary
     // is selected.  This logic must consider floating point precision.
-    double& d = info.distance;
+    double& d = info.distance();
     if (d_surf < d_lat - FP_COINCIDENT) {
       if (d == INFINITY || (d - d_surf) / d >= FP_REL_PRECISION) {
         // Update closest distance
@@ -421,29 +421,29 @@ BoundaryInfo distance_to_boundary(GeometryState& p)
         // have to explicitly check which half-space the particle would be
         // traveling into if the surface is crossed
         if (c.is_simple() || d == INFTY) {
-          info.surface = level_surf_cross;
+          info.surface() = level_surf_cross;
         } else {
           Position r_hit = r + d_surf * u;
           Surface& surf {*model::surfaces[std::abs(level_surf_cross) - 1]};
           Direction norm = surf.normal(r_hit);
           if (u.dot(norm) > 0) {
-            info.surface = std::abs(level_surf_cross);
+            info.surface() = std::abs(level_surf_cross);
           } else {
-            info.surface = -std::abs(level_surf_cross);
+            info.surface() = -std::abs(level_surf_cross);
           }
         }
 
-        info.lattice_translation[0] = 0;
-        info.lattice_translation[1] = 0;
-        info.lattice_translation[2] = 0;
-        info.coord_level = i + 1;
+        info.lattice_translation()[0] = 0;
+        info.lattice_translation()[1] = 0;
+        info.lattice_translation()[2] = 0;
+        info.coord_level() = i + 1;
       }
     } else {
       if (d == INFINITY || (d - d_lat) / d >= FP_REL_PRECISION) {
         d = d_lat;
-        info.surface = SURFACE_NONE;
-        info.lattice_translation = level_lat_trans;
-        info.coord_level = i + 1;
+        info.surface() = SURFACE_NONE;
+        info.lattice_translation() = level_lat_trans;
+        info.coord_level() = i + 1;
       }
     }
   }
diff --git a/src/mesh.cpp b/src/mesh.cpp
index 1b2c71eb2..9147efb95 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -385,7 +385,7 @@ void Mesh::material_volumes(int nx, int ny, int nz, int table_size,
             BoundaryInfo boundary = distance_to_boundary(p);
 
             // Advance particle forward
-            double distance = std::min(boundary.distance, max_distance);
+            double distance = std::min(boundary.distance(), max_distance);
             p.move_distance(distance);
 
             // Determine what mesh elements were crossed by particle
@@ -416,12 +416,12 @@ void Mesh::material_volumes(int nx, int ny, int nz, int table_size,
             p.n_coord_last() = p.n_coord();
 
             // Set surface that particle is on and adjust coordinate levels
-            p.surface() = boundary.surface;
-            p.n_coord() = boundary.coord_level;
+            p.surface() = boundary.surface();
+            p.n_coord() = boundary.coord_level();
 
-            if (boundary.lattice_translation[0] != 0 ||
-                boundary.lattice_translation[1] != 0 ||
-                boundary.lattice_translation[2] != 0) {
+            if (boundary.lattice_translation()[0] != 0 ||
+                boundary.lattice_translation()[1] != 0 ||
+                boundary.lattice_translation()[2] != 0) {
               // Particle crosses lattice boundary
               cross_lattice(p, boundary);
             } else {
diff --git a/src/particle.cpp b/src/particle.cpp
index 4758cded5..f9044b2d7 100644
--- a/src/particle.cpp
+++ b/src/particle.cpp
@@ -242,7 +242,7 @@ void Particle::event_advance()
   }
 
   // Select smaller of the two distances
-  double distance = std::min(boundary().distance, collision_distance());
+  double distance = std::min(boundary().distance(), collision_distance());
 
   // Advance particle in space and time
   // Short-term solution until the surface source is revised and we can use
@@ -298,12 +298,12 @@ void Particle::event_cross_surface()
   n_coord_last() = n_coord();
 
   // Set surface that particle is on and adjust coordinate levels
-  surface() = boundary().surface;
-  n_coord() = boundary().coord_level;
+  surface() = boundary().surface();
+  n_coord() = boundary().coord_level();
 
-  if (boundary().lattice_translation[0] != 0 ||
-      boundary().lattice_translation[1] != 0 ||
-      boundary().lattice_translation[2] != 0) {
+  if (boundary().lattice_translation()[0] != 0 ||
+      boundary().lattice_translation()[1] != 0 ||
+      boundary().lattice_translation()[2] != 0) {
     // Particle crosses lattice boundary
 
     bool verbose = settings::verbosity >= 10 || trace();
diff --git a/src/particle_data.cpp b/src/particle_data.cpp
index aff2b68ba..370ca12e4 100644
--- a/src/particle_data.cpp
+++ b/src/particle_data.cpp
@@ -65,22 +65,22 @@ void GeometryState::advance_to_boundary_from_void()
   for (auto c_i : root_universe->cells_) {
     auto dist =
       model::cells.at(c_i)->distance(root_coord.r(), root_coord.u(), 0, this);
-    if (dist.first < boundary().distance) {
-      boundary().distance = dist.first;
-      boundary().surface = dist.second;
+    if (dist.first < boundary().distance()) {
+      boundary().distance() = dist.first;
+      boundary().surface() = dist.second;
     }
   }
 
   // if no intersection or near-infinite intersection, reset
   // boundary information
-  if (boundary().distance > 1e300) {
-    boundary().distance = INFTY;
-    boundary().surface = SURFACE_NONE;
+  if (boundary().distance() > 1e300) {
+    boundary().distance() = INFTY;
+    boundary().surface() = SURFACE_NONE;
     return;
   }
 
   // move the particle up to (and just past) the boundary
-  move_distance(boundary().distance + TINY_BIT);
+  move_distance(boundary().distance() + TINY_BIT);
 }
 
 void GeometryState::move_distance(double length)
diff --git a/src/plot.cpp b/src/plot.cpp
index db10c7600..2cadc48ce 100644
--- a/src/plot.cpp
+++ b/src/plot.cpp
@@ -1634,7 +1634,7 @@ void Ray::trace()
       break;
 
     // if there is no intersection with the model, we're done
-    if (boundary().surface == SURFACE_NONE)
+    if (boundary().surface() == SURFACE_NONE)
       return;
 
     event_counter_++;
@@ -1646,10 +1646,10 @@ void Ray::trace()
 
   // Call the specialized logic for this type of ray. This is for the
   // intersection for the first intersection if we had one.
-  if (boundary().surface != SURFACE_NONE) {
+  if (boundary().surface() != SURFACE_NONE) {
     // set the geometry state's surface attribute to be used for
     // surface normal computation
-    surface() = boundary().surface;
+    surface() = boundary().surface();
     on_intersection();
     if (stop_)
       return;
@@ -1674,37 +1674,37 @@ void Ray::trace()
     // if we hit the edge of the model, so stop
     // the particle in that case. Also, just exit
     // if a negative distance was somehow computed.
-    if (boundary().distance == INFTY || boundary().distance == INFINITY ||
-        boundary().distance < 0) {
+    if (boundary().distance() == INFTY || boundary().distance() == INFINITY ||
+        boundary().distance() < 0) {
       return;
     }
 
     // See below comment where call_on_intersection is checked in an
     // if statement for an explanation of this.
     bool call_on_intersection {true};
-    if (boundary().distance < 10 * TINY_BIT) {
+    if (boundary().distance() < 10 * TINY_BIT) {
       call_on_intersection = false;
     }
 
     // DAGMC surfaces expect us to go a little bit further than the advance
     // distance to properly check cell inclusion.
-    boundary().distance += TINY_BIT;
+    boundary().distance() += TINY_BIT;
 
     // Advance particle, prepare for next intersection
     for (int lev = 0; lev < n_coord(); ++lev) {
-      coord(lev).r() += boundary().distance * coord(lev).u();
+      coord(lev).r() += boundary().distance() * coord(lev).u();
     }
-    surface() = boundary().surface;
+    surface() = boundary().surface();
     n_coord_last() = n_coord();
-    n_coord() = boundary().coord_level;
-    if (boundary().lattice_translation[0] != 0 ||
-        boundary().lattice_translation[1] != 0 ||
-        boundary().lattice_translation[2] != 0) {
+    n_coord() = boundary().coord_level();
+    if (boundary().lattice_translation()[0] != 0 ||
+        boundary().lattice_translation()[1] != 0 ||
+        boundary().lattice_translation()[2] != 0) {
       cross_lattice(*this, boundary(), settings::verbosity >= 10);
     }
 
     // Record how far the ray has traveled
-    traversal_distance_ += boundary().distance;
+    traversal_distance_ += boundary().distance();
     inside_cell = neighbor_list_find_cell(*this, settings::verbosity >= 10);
 
     // Call the specialized logic for this type of ray. Note that we do not
diff --git a/src/random_ray/random_ray.cpp b/src/random_ray/random_ray.cpp
index 2eca5b0ab..27f674c42 100644
--- a/src/random_ray/random_ray.cpp
+++ b/src/random_ray/random_ray.cpp
@@ -281,7 +281,7 @@ void RandomRay::event_advance_ray()
 {
   // Find the distance to the nearest boundary
   boundary() = distance_to_boundary(*this);
-  double distance = boundary().distance;
+  double distance = boundary().distance();
 
   if (distance < 0.0) {
     mark_as_lost("Negative transport distance detected for particle " +
diff --git a/src/simulation.cpp b/src/simulation.cpp
index d9a4fd131..b9986f473 100644
--- a/src/simulation.cpp
+++ b/src/simulation.cpp
@@ -790,7 +790,7 @@ void transport_history_based_single_particle(Particle& p)
       p.event_advance();
     }
     if (p.alive()) {
-      if (p.collision_distance() > p.boundary().distance) {
+      if (p.collision_distance() > p.boundary().distance()) {
         p.event_cross_surface();
       } else if (p.alive()) {
         p.event_collide();

From 659e43af7de9030ef3fbfef32f0992c39a00820d Mon Sep 17 00:00:00 2001
From: Joffrey Dorville <54550047+JoffreyDorville@users.noreply.github.com>
Date: Fri, 18 Jul 2025 03:47:08 -0500
Subject: [PATCH 2358/2654] Enabling MCPL source files to be read when using
 surf_source_read (#3472)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 include/openmc/source.h                       |   2 +-
 src/source.cpp                                |  55 ++++-----
 ..._true_read.dat => inputs_true_read_h5.dat} |   0
 .../surface_source/inputs_true_read_mcpl.dat  |  33 +++++
 ...rue_write.dat => inputs_true_write_h5.dat} |   0
 .../surface_source/inputs_true_write_mcpl.dat |  40 ++++++
 .../surface_source/surface_source_true.h5     | Bin 106144 -> 106144 bytes
 .../surface_source/surface_source_true.mcpl   | Bin 0 -> 36071 bytes
 tests/regression_tests/surface_source/test.py | 116 +++++++++++++-----
 9 files changed, 187 insertions(+), 59 deletions(-)
 rename tests/regression_tests/surface_source/{inputs_true_read.dat => inputs_true_read_h5.dat} (100%)
 create mode 100644 tests/regression_tests/surface_source/inputs_true_read_mcpl.dat
 rename tests/regression_tests/surface_source/{inputs_true_write.dat => inputs_true_write_h5.dat} (100%)
 create mode 100644 tests/regression_tests/surface_source/inputs_true_write_mcpl.dat
 create mode 100644 tests/regression_tests/surface_source/surface_source_true.mcpl

diff --git a/include/openmc/source.h b/include/openmc/source.h
index d58195f10..1fbd31904 100644
--- a/include/openmc/source.h
+++ b/include/openmc/source.h
@@ -173,7 +173,7 @@ protected:
   SourceSite sample(uint64_t* seed) const override;
 
 private:
-  vector<SourceSite> sites_; //!< Source sites from a file
+  vector<SourceSite> sites_; //!< Source sites
 };
 
 //==============================================================================
diff --git a/src/source.cpp b/src/source.cpp
index ae3daa404..12323f7bd 100644
--- a/src/source.cpp
+++ b/src/source.cpp
@@ -417,11 +417,7 @@ SourceSite IndependentSource::sample(uint64_t* seed) const
 FileSource::FileSource(pugi::xml_node node) : Source(node)
 {
   auto path = get_node_value(node, "file", false, true);
-  if (ends_with(path, ".mcpl") || ends_with(path, ".mcpl.gz")) {
-    sites_ = mcpl_source_sites(path);
-  } else {
-    this->load_sites_from_file(path);
-  }
+  load_sites_from_file(path);
 }
 
 FileSource::FileSource(const std::string& path)
@@ -431,30 +427,33 @@ FileSource::FileSource(const std::string& path)
 
 void FileSource::load_sites_from_file(const std::string& path)
 {
-  // Check if source file exists
-  if (!file_exists(path)) {
-    fatal_error(fmt::format("Source file '{}' does not exist.", path));
+  // If MCPL file, use the dedicated file reader
+  if (ends_with(path, ".mcpl") || ends_with(path, ".mcpl.gz")) {
+    sites_ = mcpl_source_sites(path);
+  } else {
+    // Check if source file exists
+    if (!file_exists(path)) {
+      fatal_error(fmt::format("Source file '{}' does not exist.", path));
+    }
+
+    write_message(6, "Reading source file from {}...", path);
+
+    // Open the binary file
+    hid_t file_id = file_open(path, 'r', true);
+
+    // Check to make sure this is a source file
+    std::string filetype;
+    read_attribute(file_id, "filetype", filetype);
+    if (filetype != "source" && filetype != "statepoint") {
+      fatal_error("Specified starting source file not a source file type.");
+    }
+
+    // Read in the source particles
+    read_source_bank(file_id, sites_, false);
+
+    // Close file
+    file_close(file_id);
   }
-
-  // Read the source from a binary file instead of sampling from some
-  // assumed source distribution
-  write_message(6, "Reading source file from {}...", path);
-
-  // Open the binary file
-  hid_t file_id = file_open(path, 'r', true);
-
-  // Check to make sure this is a source file
-  std::string filetype;
-  read_attribute(file_id, "filetype", filetype);
-  if (filetype != "source" && filetype != "statepoint") {
-    fatal_error("Specified starting source file not a source file type.");
-  }
-
-  // Read in the source particles
-  read_source_bank(file_id, sites_, false);
-
-  // Close file
-  file_close(file_id);
 }
 
 SourceSite FileSource::sample(uint64_t* seed) const
diff --git a/tests/regression_tests/surface_source/inputs_true_read.dat b/tests/regression_tests/surface_source/inputs_true_read_h5.dat
similarity index 100%
rename from tests/regression_tests/surface_source/inputs_true_read.dat
rename to tests/regression_tests/surface_source/inputs_true_read_h5.dat
diff --git a/tests/regression_tests/surface_source/inputs_true_read_mcpl.dat b/tests/regression_tests/surface_source/inputs_true_read_mcpl.dat
new file mode 100644
index 000000000..b8d8c575a
--- /dev/null
+++ b/tests/regression_tests/surface_source/inputs_true_read_mcpl.dat
@@ -0,0 +1,33 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+  </materials>
+  <geometry>
+    <cell id="1" material="void" region="-1" universe="1"/>
+    <cell id="2" material="void" region="1 -2" universe="1"/>
+    <cell id="3" material="void" region="2 -3" universe="1"/>
+    <cell id="4" material="void" region="3 -4" universe="1"/>
+    <surface coeffs="0.0 0.0 0.0 1.0" id="1" type="sphere"/>
+    <surface coeffs="0.0 0.0 0.0 2.0" id="2" type="sphere"/>
+    <surface coeffs="0.0 0.0 0.0 2.5" id="3" type="sphere"/>
+    <surface boundary="vacuum" coeffs="0.0 0.0 0.0 4.0" id="4" type="sphere"/>
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>1000</particles>
+    <batches>10</batches>
+    <surf_source_read>
+      <path>surface_source_true.mcpl</path>
+    </surf_source_read>
+    <seed>1</seed>
+  </settings>
+  <tallies>
+    <filter id="1" type="cell">
+      <bins>3</bins>
+    </filter>
+    <tally id="1">
+      <filters>1</filters>
+      <scores>flux</scores>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/surface_source/inputs_true_write.dat b/tests/regression_tests/surface_source/inputs_true_write_h5.dat
similarity index 100%
rename from tests/regression_tests/surface_source/inputs_true_write.dat
rename to tests/regression_tests/surface_source/inputs_true_write_h5.dat
diff --git a/tests/regression_tests/surface_source/inputs_true_write_mcpl.dat b/tests/regression_tests/surface_source/inputs_true_write_mcpl.dat
new file mode 100644
index 000000000..c55223324
--- /dev/null
+++ b/tests/regression_tests/surface_source/inputs_true_write_mcpl.dat
@@ -0,0 +1,40 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+  </materials>
+  <geometry>
+    <cell id="1" material="void" region="-1" universe="1"/>
+    <cell id="2" material="void" region="1 -2" universe="1"/>
+    <cell id="3" material="void" region="2 -3" universe="1"/>
+    <cell id="4" material="void" region="3 -4" universe="1"/>
+    <surface coeffs="0.0 0.0 0.0 1.0" id="1" type="sphere"/>
+    <surface coeffs="0.0 0.0 0.0 2.0" id="2" type="sphere"/>
+    <surface coeffs="0.0 0.0 0.0 2.5" id="3" type="sphere"/>
+    <surface boundary="vacuum" coeffs="0.0 0.0 0.0 4.0" id="4" type="sphere"/>
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>1000</particles>
+    <batches>10</batches>
+    <source particle="neutron" strength="1.0" type="independent">
+      <space type="point">
+        <parameters>0 0 0</parameters>
+      </space>
+    </source>
+    <surf_source_write>
+      <surface_ids>1</surface_ids>
+      <mcpl>true</mcpl>
+      <max_particles>1000</max_particles>
+    </surf_source_write>
+    <seed>1</seed>
+  </settings>
+  <tallies>
+    <filter id="1" type="cell">
+      <bins>3</bins>
+    </filter>
+    <tally id="1">
+      <filters>1</filters>
+      <scores>flux</scores>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/surface_source/surface_source_true.h5 b/tests/regression_tests/surface_source/surface_source_true.h5
index f2055d09dc3b668cc2fe85057cd999779788e9d7..d056d7328405bedf704f8690fd3b8056ec8aa101 100644
GIT binary patch
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literal 0
HcmV?d00001

diff --git a/tests/regression_tests/surface_source/test.py b/tests/regression_tests/surface_source/test.py
index 83b78e61d..13966b26d 100644
--- a/tests/regression_tests/surface_source/test.py
+++ b/tests/regression_tests/surface_source/test.py
@@ -10,6 +10,25 @@ from tests.testing_harness import PyAPITestHarness
 from tests.regression_tests import config
 
 
+def mcpl_to_array(filepath):
+    import mcpl
+
+    source = []
+    with mcpl.MCPLFile(filepath) as f:
+        for p in f.particles:
+            source.append(
+                [
+                    *tuple(p.position),
+                    *tuple(p.direction),
+                    1.0e6 * p.ekin,
+                    1.0e-3 * p.time,
+                    p.weight,
+                    p.pdgcode,
+                ]
+            )
+    return np.sort(np.array(source), axis=0)
+
+
 def assert_structured_arrays_close(arr1, arr2, rtol=1e-5, atol=1e-8):
     assert arr1.dtype == arr2.dtype
 
@@ -24,8 +43,7 @@ def assert_structured_arrays_close(arr1, arr2, rtol=1e-5, atol=1e-8):
 @pytest.fixture
 def model(request):
     openmc.reset_auto_ids()
-    marker = request.node.get_closest_marker("surf_source_op")
-    surf_source_op = marker.args[0]
+    operation, file_format = request.node.get_closest_marker("params").args
 
     openmc_model = openmc.model.Model()
 
@@ -54,15 +72,19 @@ def model(request):
     openmc_model.settings.batches = 10
     openmc_model.settings.seed = 1
 
-    if surf_source_op == 'write':
+    if operation == 'write':
         point = openmc.stats.Point((0, 0, 0))
         pt_src = openmc.IndependentSource(space=point)
         openmc_model.settings.source = pt_src
 
-        openmc_model.settings.surf_source_write = {'surface_ids': [1],
-                                                   'max_particles': 1000}
-    elif surf_source_op == 'read':
-        openmc_model.settings.surf_source_read = {'path': 'surface_source_true.h5'}
+        surf_source_write_settings = {'surface_ids': [1],
+                                      'max_particles': 1000}
+        if file_format == "mcpl":
+            surf_source_write_settings["mcpl"] = True
+
+        openmc_model.settings.surf_source_write = surf_source_write_settings
+    elif operation == 'read':
+        openmc_model.settings.surf_source_read = {'path': f"surface_source_true.{file_format}"}
 
     # Tallies
     tal = openmc.Tally()
@@ -75,22 +97,30 @@ def model(request):
 
 
 class SurfaceSourceTestHarness(PyAPITestHarness):
+    def __init__(self, statepoint_name, model=None, inputs_true=None, file_format="h5"):
+        super().__init__(statepoint_name, model, inputs_true)
+        self.file_format = file_format
+
     def _test_output_created(self):
-        """Make sure surface_source.h5 has also been created."""
+        """Make sure the surface_source file has also been created."""
         super()._test_output_created()
-        # Check if 'surface_source.h5' has been created.
         if self._model.settings.surf_source_write:
-            assert os.path.exists('surface_source.h5'), \
+            assert os.path.exists(f"surface_source.{self.file_format}"), \
                 'Surface source file does not exist.'
 
     def _compare_output(self):
         """Make sure the current surface_source.h5 agree with the reference."""
         if self._model.settings.surf_source_write:
-            with h5py.File("surface_source_true.h5", 'r') as f:
-                source_true = np.sort(f['source_bank'][()])
-            with h5py.File("surface_source.h5", 'r') as f:
-                source_test = np.sort(f['source_bank'][()])
-            assert_structured_arrays_close(source_true, source_test, atol=1e-07)
+            if self.file_format == "h5":
+                with h5py.File("surface_source_true.h5", 'r') as f:
+                    source_true = np.sort(f['source_bank'][()])
+                with h5py.File("surface_source.h5", 'r') as f:
+                    source_test = np.sort(f['source_bank'][()])
+                assert_structured_arrays_close(source_true, source_test, atol=1e-07)
+            elif self.file_format == "mcpl":
+                source_true = mcpl_to_array("surface_source_true.mcpl")
+                source_test = mcpl_to_array("surface_source.mcpl")
+                np.testing.assert_allclose(source_true, source_test, rtol=1e-5, atol=1e-7)
 
     def execute_test(self):
         """Build input XMLs, run OpenMC, check output and results."""
@@ -111,30 +141,56 @@ class SurfaceSourceTestHarness(PyAPITestHarness):
     def _overwrite_results(self):
         """Overwrite the results_true with the results_test."""
         shutil.copyfile('results_test.dat', 'results_true.dat')
-        if os.path.exists('surface_source.h5'):
-            shutil.copyfile('surface_source.h5', 'surface_source_true.h5')
+        if os.path.exists(f"surface_source.{self.file_format}"):
+            shutil.copyfile(f"surface_source.{self.file_format}", f"surface_source_true.{self.file_format}")
 
     def _cleanup(self):
         """Delete statepoints, tally, and test files."""
         super()._cleanup()
-        fs = 'surface_source.h5'
+        fs = f"surface_source.{self.file_format}"
         if os.path.exists(fs):
             os.remove(fs)
 
 
-@pytest.mark.surf_source_op('write')
-def test_surface_source_write(model, monkeypatch):
-    # Test result is based on 1 MPI process
-    monkeypatch.setitem(config, "mpi_np", "1")
-    harness = SurfaceSourceTestHarness('statepoint.10.h5',
-                                       model,
-                                       'inputs_true_write.dat')
+@pytest.mark.params('write', 'h5')
+def test_surface_source_write(model, monkeypatch, request):
+    monkeypatch.setitem(config, "mpi_np", "1")  # Results generated with 1 MPI process
+    operation, file_format = request.node.get_closest_marker("params").args
+    harness = SurfaceSourceTestHarness(
+        "statepoint.10.h5", model, f"inputs_true_{operation}_{file_format}.dat",
+        file_format=file_format
+    )
     harness.main()
 
 
-@pytest.mark.surf_source_op('read')
-def test_surface_source_read(model):
-    harness = SurfaceSourceTestHarness('statepoint.10.h5',
-                                       model,
-                                       'inputs_true_read.dat')
+@pytest.mark.params('read', 'h5')
+def test_surface_source_read(model, request):
+    operation, file_format = request.node.get_closest_marker("params").args
+    harness = SurfaceSourceTestHarness(
+        "statepoint.10.h5", model, f"inputs_true_{operation}_{file_format}.dat",
+        file_format=file_format
+    )
+    harness.main()
+
+
+@pytest.mark.skipif(shutil.which("mcpl-config") is None, reason="MCPL is not available.")
+@pytest.mark.params('write', 'mcpl')
+def test_surface_source_write_mcpl(model, monkeypatch, request):
+    monkeypatch.setitem(config, "mpi_np", "1")  # Results generated with 1 MPI process
+    operation, file_format = request.node.get_closest_marker("params").args
+    harness = SurfaceSourceTestHarness(
+        "statepoint.10.h5", model, f"inputs_true_{operation}_{file_format}.dat",
+        file_format=file_format
+    )
+    harness.main()
+
+
+@pytest.mark.skipif(shutil.which("mcpl-config") is None, reason="MCPL is not available.")
+@pytest.mark.params('read', 'mcpl')
+def test_surface_source_read_mcpl(model, request):
+    operation, file_format = request.node.get_closest_marker("params").args
+    harness = SurfaceSourceTestHarness(
+        "statepoint.10.h5", model, f"inputs_true_{operation}_{file_format}.dat",
+        file_format=file_format
+    )
     harness.main()

From 8be65513b77c08e79e1dc5f4ef921d411ff990a9 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Fri, 18 Jul 2025 16:37:57 +0200
Subject: [PATCH 2359/2654] Adding material depletion function (#3420)

Co-authored-by: Jon Shimwell <jon@proximafusion.com>
Co-authored-by: Micah Gale <mgale@fastmail.com>
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/deplete/independent_operator.py |   2 +-
 openmc/material.py                     | 174 +++++++++++++++++++++++++
 tests/unit_tests/test_material.py      |  43 ++++++
 tests/unit_tests/test_materials.py     |  63 +++++++++
 4 files changed, 281 insertions(+), 1 deletion(-)
 create mode 100644 tests/unit_tests/test_materials.py

diff --git a/openmc/deplete/independent_operator.py b/openmc/deplete/independent_operator.py
index 3eb50b05e..c192907cf 100644
--- a/openmc/deplete/independent_operator.py
+++ b/openmc/deplete/independent_operator.py
@@ -273,7 +273,7 @@ class IndependentOperator(OpenMCOperator):
         Returns
         -------
         nuclides : set of str
-            Set of nuclide names that have cross secton data
+            Set of nuclide names that have cross section data
 
         """
         return set(cross_sections[0].nuclides)
diff --git a/openmc/material.py b/openmc/material.py
index c6765178e..cec74af62 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -6,6 +6,8 @@ from numbers import Real
 from pathlib import Path
 import re
 import sys
+import tempfile
+from typing import Sequence, Dict
 import warnings
 
 import lxml.etree as ET
@@ -1717,6 +1719,67 @@ class Material(IDManagerMixin):
 
         return mat
 
+    def deplete(
+        self,
+        multigroup_flux: Sequence[float],
+        energy_group_structure: Sequence[float] | str,
+        timesteps: Sequence[float] | Sequence[tuple[float, str]],
+        source_rates: float | Sequence[float],
+        timestep_units: str = 's',
+        chain_file: cv.PathLike | "openmc.deplete.Chain" | None = None,
+        reactions: Sequence[str] | None = None,
+    ) -> list[openmc.Material]:
+        """Depletes that material, evolving the nuclide densities
+
+        .. versionadded:: 0.15.3
+
+        Parameters
+        ----------
+        multigroup_flux: Sequence[float]
+            Energy-dependent multigroup flux values, where each sublist corresponds
+            to a specific material. Will be normalized so that it sums to 1.
+        energy_group_structure : Sequence[float] | str
+            Energy group boundaries in [eV] or the name of the group structure.
+        timesteps : iterable of float or iterable of tuple
+            Array of timesteps. Note that values are not cumulative. The units are
+            specified by the `timestep_units` argument when `timesteps` is an
+            iterable of float. Alternatively, units can be specified for each step
+            by passing an iterable of (value, unit) tuples.
+        source_rates : float or iterable of float, optional
+            Source rate in [neutron/sec] or neutron flux in [neutron/s-cm^2] for
+            each interval in :attr:`timesteps`
+        timestep_units : {'s', 'min', 'h', 'd', 'a', 'MWd/kg'}
+            Units for values specified in the `timesteps` argument. 's' means
+            seconds, 'min' means minutes, 'h' means hours, 'a' means Julian years
+            and 'MWd/kg' indicates that the values are given in burnup (MW-d of
+            energy deposited per kilogram of initial heavy metal).
+        chain_file : PathLike or Chain
+            Path to the depletion chain XML file or instance of openmc.deplete.Chain.
+            Defaults to ``openmc.config['chain_file']``.
+        reactions : list of str, optional
+            Reactions to get cross sections for. If not specified, all neutron
+            reactions listed in the depletion chain file are used.
+
+        Returns
+        -------
+        list of openmc.Material, one for each timestep
+
+        """
+
+        materials = openmc.Materials([self])
+
+        depleted_materials_dict = materials.deplete(
+            multigroup_fluxes=[multigroup_flux],
+            energy_group_structures=[energy_group_structure],
+            timesteps=timesteps,
+            source_rates=source_rates,
+            timestep_units=timestep_units,
+            chain_file=chain_file,
+            reactions=reactions,
+        )
+
+        return depleted_materials_dict[self.id]
+
 
     def mean_free_path(self, energy: float) -> float:
         """Calculate the mean free path of neutrons in the material at a given
@@ -1947,3 +2010,114 @@ class Materials(cv.CheckedList):
         root = tree.getroot()
 
         return cls.from_xml_element(root)
+
+
+    def deplete(
+        self,
+        multigroup_fluxes: Sequence[Sequence[float]],
+        energy_group_structures: Sequence[Sequence[float] | str],
+        timesteps: Sequence[float] | Sequence[tuple[float, str]],
+        source_rates: float | Sequence[float],
+        timestep_units: str = 's',
+        chain_file: cv.PathLike | "openmc.deplete.Chain" | None = None,
+        reactions: Sequence[str] | None = None,
+    ) -> Dict[int, list[openmc.Material]]:
+        """Depletes that material, evolving the nuclide densities
+
+        .. versionadded:: 0.15.3
+
+        Parameters
+        ----------
+        multigroup_fluxes: Sequence[Sequence[float]]
+            Energy-dependent multigroup flux values, where each sublist corresponds
+            to a specific material. Will be normalized so that it sums to 1.
+        energy_group_structures': Sequence[Sequence[float] | str]
+            Energy group boundaries in [eV] or the name of the group structure.
+        timesteps : iterable of float or iterable of tuple
+            Array of timesteps. Note that values are not cumulative. The units are
+            specified by the `timestep_units` argument when `timesteps` is an
+            iterable of float. Alternatively, units can be specified for each step
+            by passing an iterable of (value, unit) tuples.
+        source_rates : float or iterable of float, optional
+            Source rate in [neutron/sec] or neutron flux in [neutron/s-cm^2] for
+            each interval in :attr:`timesteps`
+        timestep_units : {'s', 'min', 'h', 'd', 'a', 'MWd/kg'}
+            Units for values specified in the `timesteps` argument. 's' means
+            seconds, 'min' means minutes, 'h' means hours, 'a' means Julian years
+            and 'MWd/kg' indicates that the values are given in burnup (MW-d of
+            energy deposited per kilogram of initial heavy metal).
+        chain_file : PathLike or Chain
+            Path to the depletion chain XML file or instance of openmc.deplete.Chain.
+            Defaults to ``openmc.config['chain_file']``.
+        reactions : list of str, optional
+            Reactions to get cross sections for. If not specified, all neutron
+            reactions listed in the depletion chain file are used.
+
+        Returns
+        -------
+        list of openmc.Material, one for each timestep
+
+        """
+
+        import openmc.deplete
+        from .deplete.chain import _get_chain
+
+        # setting all materials to be depletable
+        for mat in self:
+            mat.depletable = True
+
+        chain = _get_chain(chain_file)
+
+        # Create MicroXS objects for all materials
+        micros = []
+        fluxes = []
+
+        with openmc.lib.TemporarySession():
+            for material, flux, energy in zip(
+                self, multigroup_fluxes, energy_group_structures
+            ):
+                temperature = material.temperature or 293.6
+                micro_xs = openmc.deplete.MicroXS.from_multigroup_flux(
+                    energies=energy,
+                    multigroup_flux=flux,
+                    chain_file=chain,
+                    temperature=temperature,
+                    reactions=reactions,
+                )
+                micros.append(micro_xs)
+                fluxes.append(material.volume)
+
+        # Create a single operator for all materials
+        operator = openmc.deplete.IndependentOperator(
+            materials=self,
+            fluxes=fluxes,
+            micros=micros,
+            normalization_mode="source-rate",
+            chain_file=chain,
+        )
+
+        integrator = openmc.deplete.PredictorIntegrator(
+            operator=operator,
+            timesteps=timesteps,
+            source_rates=source_rates,
+            timestep_units=timestep_units,
+        )
+
+        with tempfile.TemporaryDirectory() as tmpdir:
+            # Run integrator
+            results_path = Path(tmpdir) / "depletion_results.h5"
+            integrator.integrate(path=results_path)
+
+            # Load depletion results
+            results = openmc.deplete.Results(results_path)
+
+            # For each material, get activated composition at each timestep
+            all_depleted_materials = {
+                material.id: [
+                    result.get_material(str(material.id))
+                    for result in results
+                ]
+                for material in self
+            }
+
+        return all_depleted_materials
diff --git a/tests/unit_tests/test_material.py b/tests/unit_tests/test_material.py
index db5f4ce32..eae814a75 100644
--- a/tests/unit_tests/test_material.py
+++ b/tests/unit_tests/test_material.py
@@ -3,8 +3,11 @@ from pathlib import Path
 
 import pytest
 
+import numpy as np
+
 import openmc
 from openmc.data import decay_photon_energy
+from openmc.deplete import Chain
 import openmc.examples
 import openmc.model
 import openmc.stats
@@ -712,6 +715,46 @@ def test_avoid_subnormal(run_in_tmpdir):
     assert mats[0].get_nuclide_atom_densities()['H2'] == 0.0
 
 
+def test_material_deplete():
+    pristine_material = openmc.Material()
+    pristine_material.add_nuclide("Ni58", 1.0)
+    pristine_material.set_density("g/cm3", 7.87)
+    pristine_material.depletable = True
+    pristine_material.temperature = 293.6
+    pristine_material.volume = 1.
+
+    mg_flux = [0.5e11] * 42
+
+    chain = Chain.from_xml(
+        Path(__file__).parents[1] / "chain_ni.xml"
+    )
+
+    depleted_material = pristine_material.deplete(
+        multigroup_flux=mg_flux,
+        energy_group_structure="VITAMIN-J-42",
+        timesteps=[10, 70.86],
+        source_rates=[1e19, 0.0],
+        timestep_units="d",
+        chain_file=chain,
+    )
+
+    for material in depleted_material:
+        assert isinstance(material, openmc.Material)
+        assert len(material.get_nuclides()) > len(pristine_material.get_nuclides())
+
+    Co58_mat_1_step_0 = depleted_material[0].get_nuclide_atom_densities("Co58")["Co58"]
+    Co58_mat_1_step_1 = depleted_material[1].get_nuclide_atom_densities("Co58")["Co58"]
+    Co58_mat_1_step_2 = depleted_material[2].get_nuclide_atom_densities("Co58")["Co58"]
+
+    assert Co58_mat_1_step_0 == 0.0
+
+    # Check that Co58 is produced in the first step
+    assert Co58_mat_1_step_1 > 0.0
+
+    # Check that Co58 is halved in the second step which is one halflife later
+    assert np.allclose(Co58_mat_1_step_1 * 0.5, Co58_mat_1_step_2)
+
+
 def test_mean_free_path():
 
     mat1 = openmc.Material()
diff --git a/tests/unit_tests/test_materials.py b/tests/unit_tests/test_materials.py
new file mode 100644
index 000000000..6c8c59fc9
--- /dev/null
+++ b/tests/unit_tests/test_materials.py
@@ -0,0 +1,63 @@
+from pathlib import Path
+
+import openmc
+from openmc.deplete import Chain
+
+
+def test_materials_deplete():
+    pristine_material_1 = openmc.Material()
+    pristine_material_1.add_nuclide("Ni58", 1.)
+    pristine_material_1.set_density("g/cm3", 7.87)
+    pristine_material_1.depletable = True
+    pristine_material_1.temperature = 293.6
+    pristine_material_1.volume = 1.
+
+    pristine_material_2 = openmc.Material()
+    pristine_material_2.add_nuclide("Ni60", 1.)
+    pristine_material_2.set_density("g/cm3", 7.87)
+    pristine_material_2.depletable = True
+    pristine_material_2.temperature = 293.6
+    pristine_material_2.volume = 1.
+
+    pristine_materials = openmc.Materials([pristine_material_1, pristine_material_2])
+
+    mg_flux = [0.5e11] * 42
+
+    chain = Chain.from_xml(
+        Path(__file__).parents[1] / "chain_ni.xml"
+    )
+
+    depleted_material = pristine_materials.deplete(
+        multigroup_fluxes=[mg_flux, mg_flux],
+        energy_group_structures=["VITAMIN-J-42", "VITAMIN-J-42"],
+        timesteps=[100, 100],
+        source_rates=[1e19, 0.0],
+        timestep_units="d",
+        chain_file=chain,
+    )
+
+    assert list(depleted_material.keys()) == [pristine_material_1.id, pristine_material_2.id]
+    for mat_id, materials in depleted_material.items():
+        for material in materials:
+            assert isinstance(material, openmc.Material)
+            assert len(material.get_nuclides()) > 1
+            assert mat_id == material.id
+
+    mats = depleted_material[pristine_material_1.id]
+    Co58_mat_1_step_0 = mats[0].get_nuclide_atom_densities("Co58")["Co58"]
+    Co58_mat_1_step_1 = mats[1].get_nuclide_atom_densities("Co58")["Co58"]
+    Co58_mat_1_step_2 = mats[2].get_nuclide_atom_densities("Co58")["Co58"]
+
+    assert Co58_mat_1_step_0 == 0.0
+    # Co58 is the main activation product of Ni58 in the first irradiation step.
+    # It then decays in the second cooling step (flux = 0)
+    assert Co58_mat_1_step_1 > 0.0 and Co58_mat_1_step_1 > Co58_mat_1_step_2
+
+    Ni59_mat_1_step_0 = mats[0].get_nuclide_atom_densities("Ni59")["Ni59"]
+    Ni59_mat_1_step_1 = mats[1].get_nuclide_atom_densities("Ni59")["Ni59"]
+    Ni59_mat_1_step_2 = mats[2].get_nuclide_atom_densities("Ni59")["Ni59"]
+
+    assert Ni59_mat_1_step_0 == 0.0
+    # Ni59 is one of the main activation product of Ni60 in the first irradiation
+    # step. It then decays in the second cooling step (flux = 0)
+    assert Ni59_mat_1_step_1 > 0.0 and Ni59_mat_1_step_1 > Ni59_mat_1_step_2

From a649d7bc69c47d5f04dbca50b106b605598ffcf7 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Fri, 18 Jul 2025 18:23:02 +0200
Subject: [PATCH 2360/2654] Avoid adding ParentNuclideFilter twice when calling
 prepare_tallies (#3506)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/deplete/d1s.py        | 4 ++--
 tests/unit_tests/test_d1s.py | 5 +++++
 2 files changed, 7 insertions(+), 2 deletions(-)

diff --git a/openmc/deplete/d1s.py b/openmc/deplete/d1s.py
index e9f8bfe79..311bc2d69 100644
--- a/openmc/deplete/d1s.py
+++ b/openmc/deplete/d1s.py
@@ -243,7 +243,7 @@ def prepare_tallies(
         for f in tally.filters:
             if isinstance(f, openmc.ParticleFilter):
                 if list(f.bins) == ['photon']:
-                    tally.filters.append(filter)
+                    if not tally.contains_filter(openmc.ParentNuclideFilter):
+                        tally.filters.append(filter)
                     break
-
     return nuclides
diff --git a/tests/unit_tests/test_d1s.py b/tests/unit_tests/test_d1s.py
index 115759489..9410f2da2 100644
--- a/tests/unit_tests/test_d1s.py
+++ b/tests/unit_tests/test_d1s.py
@@ -84,6 +84,11 @@ def test_prepare_tallies(model):
     assert tally.contains_filter(openmc.ParentNuclideFilter)
     assert sorted(tally.filters[-1].bins) == sorted(radionuclides)
 
+    assert len(tally.filters) == 2
+    # calling prepare_tallies twice should not add another ParentNuclideFilter
+    d1s.prepare_tallies(model, chain_file=CHAIN_PATH)
+    assert len(tally.filters) == 2
+
 
 def test_apply_time_correction(run_in_tmpdir):
     # Make simple sphere model with elemental Ni

From 9d9dcc26c5a6f7b8e06335cfe7a88d296db48710 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Mon, 21 Jul 2025 23:10:08 -0500
Subject: [PATCH 2361/2654] Update DAGMC and libMesh precompiler definitions
 (#3510)

---
 CMakeLists.txt                                |  6 ++--
 include/openmc/dagmc.h                        |  4 +--
 include/openmc/mesh.h                         | 10 +++---
 include/openmc/particle_data.h                |  6 ++--
 include/openmc/universe.h                     |  2 +-
 src/cell.cpp                                  |  2 +-
 src/dagmc.cpp                                 | 32 +++++++++----------
 src/finalize.cpp                              |  2 +-
 src/initialize.cpp                            |  4 +--
 src/mesh.cpp                                  | 22 ++++++-------
 src/output.cpp                                |  6 ++--
 src/particle.cpp                              | 10 +++---
 src/state_point.cpp                           |  2 +-
 src/tallies/tally.cpp                         |  2 +-
 tests/regression_tests/dagmc/external/test.py |  2 +-
 tests/regression_tests/external_moab/test.py  |  2 +-
 16 files changed, 57 insertions(+), 57 deletions(-)

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 2b863eb08..474451c8a 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -503,11 +503,11 @@ else()
 endif()
 
 if(OPENMC_USE_DAGMC)
-  target_compile_definitions(libopenmc PRIVATE DAGMC)
+  target_compile_definitions(libopenmc PRIVATE OPENMC_DAGMC_ENABLED)
   target_link_libraries(libopenmc dagmc-shared)
 
   if(OPENMC_USE_UWUW)
-    target_compile_definitions(libopenmc PRIVATE OPENMC_UWUW)
+    target_compile_definitions(libopenmc PRIVATE OPENMC_UWUW_ENABLED)
     target_link_libraries(libopenmc uwuw-shared)
   endif()
 elseif(OPENMC_USE_UWUW)
@@ -516,7 +516,7 @@ elseif(OPENMC_USE_UWUW)
 endif()
 
 if(OPENMC_USE_LIBMESH)
-  target_compile_definitions(libopenmc PRIVATE LIBMESH)
+  target_compile_definitions(libopenmc PRIVATE OPENMC_LIBMESH_ENABLED)
   target_link_libraries(libopenmc PkgConfig::LIBMESH)
 endif()
 
diff --git a/include/openmc/dagmc.h b/include/openmc/dagmc.h
index 82ef1b644..0e27402a1 100644
--- a/include/openmc/dagmc.h
+++ b/include/openmc/dagmc.h
@@ -20,7 +20,7 @@ void check_dagmc_root_univ();
 
 } // namespace openmc
 
-#ifdef DAGMC
+#ifdef OPENMC_DAGMC_ENABLED
 
 #include "DagMC.hpp"
 #include "dagmcmetadata.hpp"
@@ -216,6 +216,6 @@ int32_t next_cell(int32_t surf, int32_t curr_cell, int32_t univ);
 
 } // namespace openmc
 
-#endif // DAGMC
+#endif // OPENMC_DAGMC_ENABLED
 
 #endif // OPENMC_DAGMC_H
diff --git a/include/openmc/mesh.h b/include/openmc/mesh.h
index 5a727c2b6..c15e25697 100644
--- a/include/openmc/mesh.h
+++ b/include/openmc/mesh.h
@@ -19,14 +19,14 @@
 #include "openmc/vector.h"
 #include "openmc/xml_interface.h"
 
-#ifdef DAGMC
+#ifdef OPENMC_DAGMC_ENABLED
 #include "moab/AdaptiveKDTree.hpp"
 #include "moab/Core.hpp"
 #include "moab/GeomUtil.hpp"
 #include "moab/Matrix3.hpp"
 #endif
 
-#ifdef LIBMESH
+#ifdef OPENMC_LIBMESH_ENABLED
 #include "libmesh/bounding_box.h"
 #include "libmesh/dof_map.h"
 #include "libmesh/elem.h"
@@ -61,7 +61,7 @@ extern vector<unique_ptr<Mesh>> meshes;
 
 } // namespace model
 
-#ifdef LIBMESH
+#ifdef OPENMC_LIBMESH_ENABLED
 namespace settings {
 // used when creating new libMesh::MeshBase instances
 extern unique_ptr<libMesh::LibMeshInit> libmesh_init;
@@ -768,7 +768,7 @@ private:
   virtual void initialize() = 0;
 };
 
-#ifdef DAGMC
+#ifdef OPENMC_DAGMC_ENABLED
 
 class MOABMesh : public UnstructuredMesh {
 public:
@@ -938,7 +938,7 @@ private:
 
 #endif
 
-#ifdef LIBMESH
+#ifdef OPENMC_LIBMESH_ENABLED
 
 class LibMesh : public UnstructuredMesh {
 public:
diff --git a/include/openmc/particle_data.h b/include/openmc/particle_data.h
index 1c8f1215a..ec393845f 100644
--- a/include/openmc/particle_data.h
+++ b/include/openmc/particle_data.h
@@ -8,7 +8,7 @@
 #include "openmc/tallies/filter_match.h"
 #include "openmc/vector.h"
 
-#ifdef DAGMC
+#ifdef OPENMC_DAGMC_ENABLED
 #include "DagMC.hpp"
 #endif
 
@@ -372,7 +372,7 @@ public:
   // Boundary information
   BoundaryInfo& boundary() { return boundary_; }
 
-#ifdef DAGMC
+#ifdef OPENMC_DAGMC_ENABLED
   // DagMC state variables
   moab::DagMC::RayHistory& history() { return history_; }
   Direction& last_dir() { return last_dir_; }
@@ -417,7 +417,7 @@ private:
   double sqrtkT_ {-1.0};     //!< sqrt(k_Boltzmann * temperature) in eV
   double sqrtkT_last_ {0.0}; //!< last temperature
 
-#ifdef DAGMC
+#ifdef OPENMC_DAGMC_ENABLED
   moab::DagMC::RayHistory history_;
   Direction last_dir_;
 #endif
diff --git a/include/openmc/universe.h b/include/openmc/universe.h
index e8fbacfdc..52df432b8 100644
--- a/include/openmc/universe.h
+++ b/include/openmc/universe.h
@@ -6,7 +6,7 @@
 
 namespace openmc {
 
-#ifdef DAGMC
+#ifdef OPENMC_DAGMC_ENABLED
 class DAGUniverse;
 #endif
 
diff --git a/src/cell.cpp b/src/cell.cpp
index eb5c228bc..b6862ba17 100644
--- a/src/cell.cpp
+++ b/src/cell.cpp
@@ -1025,7 +1025,7 @@ void populate_universes()
       model::universes.back()->cells_.push_back(index_cell);
       model::universe_map[uid] = model::universes.size() - 1;
     } else {
-#ifdef DAGMC
+#ifdef OPENMC_DAGMC_ENABLED
       // Skip implicit complement cells for now
       Universe* univ = model::universes[it->second].get();
       DAGUniverse* dag_univ = dynamic_cast<DAGUniverse*>(univ);
diff --git a/src/dagmc.cpp b/src/dagmc.cpp
index 1d92d9d57..8c81952a7 100644
--- a/src/dagmc.cpp
+++ b/src/dagmc.cpp
@@ -13,7 +13,7 @@
 #include "openmc/settings.h"
 #include "openmc/string_utils.h"
 
-#ifdef OPENMC_UWUW
+#ifdef OPENMC_UWUW_ENABLED
 #include "uwuw.hpp"
 #endif
 #include <fmt/core.h>
@@ -26,13 +26,13 @@
 
 namespace openmc {
 
-#ifdef DAGMC
+#ifdef OPENMC_DAGMC_ENABLED
 const bool DAGMC_ENABLED = true;
 #else
 const bool DAGMC_ENABLED = false;
 #endif
 
-#ifdef OPENMC_UWUW
+#ifdef OPENMC_UWUW_ENABLED
 const bool UWUW_ENABLED = true;
 #else
 const bool UWUW_ENABLED = false;
@@ -40,7 +40,7 @@ const bool UWUW_ENABLED = false;
 
 } // namespace openmc
 
-#ifdef DAGMC
+#ifdef OPENMC_DAGMC_ENABLED
 
 namespace openmc {
 
@@ -131,7 +131,7 @@ void DAGUniverse::set_id()
 
 void DAGUniverse::initialize()
 {
-#ifdef OPENMC_UWUW
+#ifdef OPENMC_UWUW_ENABLED
   // read uwuw materials from the .h5m file if present
   read_uwuw_materials();
 #endif
@@ -456,16 +456,16 @@ void DAGUniverse::to_hdf5(hid_t universes_group) const
 
 bool DAGUniverse::uses_uwuw() const
 {
-#ifdef OPENMC_UWUW
+#ifdef OPENMC_UWUW_ENABLED
   return uwuw_ && !uwuw_->material_library.empty();
 #else
   return false;
-#endif // OPENMC_UWUW
+#endif // OPENMC_UWUW_ENABLED
 }
 
 std::string DAGUniverse::get_uwuw_materials_xml() const
 {
-#ifdef OPENMC_UWUW
+#ifdef OPENMC_UWUW_ENABLED
   if (!uses_uwuw()) {
     throw std::runtime_error("This DAGMC Universe does not use UWUW materials");
   }
@@ -485,12 +485,12 @@ std::string DAGUniverse::get_uwuw_materials_xml() const
   return ss.str();
 #else
   fatal_error("DAGMC was not configured with UWUW.");
-#endif // OPENMC_UWUW
+#endif // OPENMC_UWUW_ENABLED
 }
 
 void DAGUniverse::write_uwuw_materials_xml(const std::string& outfile) const
 {
-#ifdef OPENMC_UWUW
+#ifdef OPENMC_UWUW_ENABLED
   if (!uses_uwuw()) {
     throw std::runtime_error(
       "This DAGMC universe does not use UWUW materials.");
@@ -503,7 +503,7 @@ void DAGUniverse::write_uwuw_materials_xml(const std::string& outfile) const
   mats_xml.close();
 #else
   fatal_error("DAGMC was not configured with UWUW.");
-#endif // OPENMC_UWUW
+#endif // OPENMC_UWUW_ENABLED
 }
 
 void DAGUniverse::legacy_assign_material(
@@ -565,7 +565,7 @@ void DAGUniverse::legacy_assign_material(
 
 void DAGUniverse::read_uwuw_materials()
 {
-#ifdef OPENMC_UWUW
+#ifdef OPENMC_UWUW_ENABLED
   // If no filename was provided, don't read UWUW materials
   if (filename_ == "")
     return;
@@ -605,13 +605,13 @@ void DAGUniverse::read_uwuw_materials()
   }
 #else
   fatal_error("DAGMC was not configured with UWUW.");
-#endif // OPENMC_UWUW
+#endif // OPENMC_UWUW_ENABLED
 }
 
 void DAGUniverse::uwuw_assign_material(
   moab::EntityHandle vol_handle, std::unique_ptr<DAGCell>& c) const
 {
-#ifdef OPENMC_UWUW
+#ifdef OPENMC_UWUW_ENABLED
   // lookup material in uwuw if present
   std::string uwuw_mat = dmd_ptr->volume_material_property_data_eh[vol_handle];
   if (uwuw_->material_library.count(uwuw_mat) != 0) {
@@ -627,7 +627,7 @@ void DAGUniverse::uwuw_assign_material(
   }
 #else
   fatal_error("DAGMC was not configured with UWUW.");
-#endif // OPENMC_UWUW
+#endif // OPENMC_UWUW_ENABLED
 }
 
 void DAGUniverse::override_assign_material(std::unique_ptr<DAGCell>& c) const
@@ -926,4 +926,4 @@ int32_t next_cell(int32_t surf, int32_t curr_cell, int32_t univ);
 
 } // namespace openmc
 
-#endif // DAGMC
+#endif // OPENMC_DAGMC_ENABLED
diff --git a/src/finalize.cpp b/src/finalize.cpp
index 9cbebc878..2d14cdec8 100644
--- a/src/finalize.cpp
+++ b/src/finalize.cpp
@@ -166,7 +166,7 @@ int openmc_finalize()
   // Deallocate arrays
   free_memory();
 
-#ifdef LIBMESH
+#ifdef OPENMC_LIBMESH_ENABLED
   settings::libmesh_init.reset();
 #endif
 
diff --git a/src/initialize.cpp b/src/initialize.cpp
index c5803976b..2da78137d 100644
--- a/src/initialize.cpp
+++ b/src/initialize.cpp
@@ -38,7 +38,7 @@
 #include "openmc/vector.h"
 #include "openmc/weight_windows.h"
 
-#ifdef LIBMESH
+#ifdef OPENMC_LIBMESH_ENABLED
 #include "libmesh/libmesh.h"
 #endif
 
@@ -64,7 +64,7 @@ int openmc_init(int argc, char* argv[], const void* intracomm)
   if (err)
     return err;
 
-#ifdef LIBMESH
+#ifdef OPENMC_LIBMESH_ENABLED
   const int n_threads = num_threads();
   // initialize libMesh if it hasn't been initialized already
   // (if initialized externally, the libmesh_init object needs to be provided
diff --git a/src/mesh.cpp b/src/mesh.cpp
index 9147efb95..3e4ff1a3e 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -47,13 +47,13 @@
 #include "openmc/volume_calc.h"
 #include "openmc/xml_interface.h"
 
-#ifdef LIBMESH
+#ifdef OPENMC_LIBMESH_ENABLED
 #include "libmesh/mesh_modification.h"
 #include "libmesh/mesh_tools.h"
 #include "libmesh/numeric_vector.h"
 #endif
 
-#ifdef DAGMC
+#ifdef OPENMC_DAGMC_ENABLED
 #include "moab/FileOptions.hpp"
 #endif
 
@@ -63,7 +63,7 @@ namespace openmc {
 // Global variables
 //==============================================================================
 
-#ifdef LIBMESH
+#ifdef OPENMC_LIBMESH_ENABLED
 const bool LIBMESH_ENABLED = true;
 #else
 const bool LIBMESH_ENABLED = false;
@@ -80,7 +80,7 @@ vector<unique_ptr<Mesh>> meshes;
 
 } // namespace model
 
-#ifdef LIBMESH
+#ifdef OPENMC_LIBMESH_ENABLED
 namespace settings {
 unique_ptr<libMesh::LibMeshInit> libmesh_init;
 const libMesh::Parallel::Communicator* libmesh_comm {nullptr};
@@ -2134,14 +2134,14 @@ extern "C" int openmc_add_unstructured_mesh(
   std::string mesh_file(filename);
   bool valid_lib = false;
 
-#ifdef DAGMC
+#ifdef OPENMC_DAGMC_ENABLED
   if (lib_name == MOABMesh::mesh_lib_type) {
     model::meshes.push_back(std::move(make_unique<MOABMesh>(mesh_file)));
     valid_lib = true;
   }
 #endif
 
-#ifdef LIBMESH
+#ifdef OPENMC_LIBMESH_ENABLED
   if (lib_name == LibMesh::mesh_lib_type) {
     model::meshes.push_back(std::move(make_unique<LibMesh>(mesh_file)));
     valid_lib = true;
@@ -2509,7 +2509,7 @@ extern "C" int openmc_spherical_mesh_set_grid(int32_t index,
     index, grid_x, nx, grid_y, ny, grid_z, nz);
 }
 
-#ifdef DAGMC
+#ifdef OPENMC_DAGMC_ENABLED
 
 const std::string MOABMesh::mesh_lib_type = "moab";
 
@@ -3211,7 +3211,7 @@ void MOABMesh::write(const std::string& base_filename) const
 
 #endif
 
-#ifdef LIBMESH
+#ifdef OPENMC_LIBMESH_ENABLED
 
 const std::string LibMesh::mesh_lib_type = "libmesh";
 
@@ -3556,7 +3556,7 @@ double LibMesh::volume(int bin) const
   return this->get_element_from_bin(bin).volume();
 }
 
-#endif // LIBMESH
+#endif // OPENMC_LIBMESH_ENABLED
 
 //==============================================================================
 // Non-member functions
@@ -3605,12 +3605,12 @@ void read_meshes(pugi::xml_node root)
       model::meshes.push_back(make_unique<CylindricalMesh>(node));
     } else if (mesh_type == SphericalMesh::mesh_type) {
       model::meshes.push_back(make_unique<SphericalMesh>(node));
-#ifdef DAGMC
+#ifdef OPENMC_DAGMC_ENABLED
     } else if (mesh_type == UnstructuredMesh::mesh_type &&
                mesh_lib == MOABMesh::mesh_lib_type) {
       model::meshes.push_back(make_unique<MOABMesh>(node));
 #endif
-#ifdef LIBMESH
+#ifdef OPENMC_LIBMESH_ENABLED
     } else if (mesh_type == UnstructuredMesh::mesh_type &&
                mesh_lib == LibMesh::mesh_lib_type) {
       model::meshes.push_back(make_unique<LibMesh>(node));
diff --git a/src/output.cpp b/src/output.cpp
index 0316e313e..0a14e8843 100644
--- a/src/output.cpp
+++ b/src/output.cpp
@@ -323,10 +323,10 @@ void print_build_info()
 #ifdef OPENMC_MPI
   mpi = y;
 #endif
-#ifdef DAGMC
+#ifdef OPENMC_DAGMC_ENABLED
   dagmc = y;
 #endif
-#ifdef LIBMESH
+#ifdef OPENMC_LIBMESH_ENABLED
   libmesh = y;
 #endif
 #ifdef OPENMC_MCPL
@@ -341,7 +341,7 @@ void print_build_info()
 #ifdef COVERAGEBUILD
   coverage = y;
 #endif
-#ifdef OPENMC_UWUW
+#ifdef OPENMC_UWUW_ENABLED
   uwuw = y;
 #endif
 
diff --git a/src/particle.cpp b/src/particle.cpp
index f9044b2d7..118b084b0 100644
--- a/src/particle.cpp
+++ b/src/particle.cpp
@@ -32,7 +32,7 @@
 #include "openmc/track_output.h"
 #include "openmc/weight_windows.h"
 
-#ifdef DAGMC
+#ifdef OPENMC_DAGMC_ENABLED
 #include "DagMC.hpp"
 #endif
 
@@ -408,7 +408,7 @@ void Particle::event_collide()
   if (!model::active_tallies.empty())
     score_collision_derivative(*this);
 
-#ifdef DAGMC
+#ifdef OPENMC_DAGMC_ENABLED
   history().reset();
 #endif
 }
@@ -473,7 +473,7 @@ void Particle::event_revive_from_secondary()
 
 void Particle::event_death()
 {
-#ifdef DAGMC
+#ifdef OPENMC_DAGMC_ENABLED
   history().reset();
 #endif
 
@@ -553,7 +553,7 @@ void Particle::cross_surface(const Surface& surf)
   }
 
 // if we're crossing a CSG surface, make sure the DAG history is reset
-#ifdef DAGMC
+#ifdef OPENMC_DAGMC_ENABLED
   if (surf.geom_type() == GeometryType::CSG)
     history().reset();
 #endif
@@ -567,7 +567,7 @@ void Particle::cross_surface(const Surface& surf)
   // ==========================================================================
   // SEARCH NEIGHBOR LISTS FOR NEXT CELL
 
-#ifdef DAGMC
+#ifdef OPENMC_DAGMC_ENABLED
   // in DAGMC, we know what the next cell should be
   if (surf.geom_type() == GeometryType::DAG) {
     int32_t i_cell = next_cell(surface_index(), cell_last(n_coord() - 1),
diff --git a/src/state_point.cpp b/src/state_point.cpp
index 12dfeb82a..8195c4865 100644
--- a/src/state_point.cpp
+++ b/src/state_point.cpp
@@ -340,7 +340,7 @@ extern "C" int openmc_statepoint_write(const char* filename, bool* write_source)
       file_close(file_id);
   }
 
-#if defined(LIBMESH) || defined(DAGMC)
+#if defined(OPENMC_LIBMESH_ENABLED) || defined(OPENMC_DAGMC_ENABLED)
   // write unstructured mesh tally files
   write_unstructured_mesh_results();
 #endif
diff --git a/src/tallies/tally.cpp b/src/tallies/tally.cpp
index 54840b518..e737f79d3 100644
--- a/src/tallies/tally.cpp
+++ b/src/tallies/tally.cpp
@@ -376,7 +376,7 @@ Tally::Tally(pugi::xml_node node)
     }
   }
 
-#ifdef LIBMESH
+#ifdef OPENMC_LIBMESH_ENABLED
   // ensure a tracklength tally isn't used with a libMesh filter
   for (auto i : this->filters_) {
     auto df = dynamic_cast<MeshFilter*>(model::tally_filters[i].get());
diff --git a/tests/regression_tests/dagmc/external/test.py b/tests/regression_tests/dagmc/external/test.py
index 57bc9ea7f..3580bfa11 100644
--- a/tests/regression_tests/dagmc/external/test.py
+++ b/tests/regression_tests/dagmc/external/test.py
@@ -32,7 +32,7 @@ def cpp_driver(request):
             target_link_libraries(main OpenMC::libopenmc)
             target_compile_features(main PUBLIC cxx_std_14)
             set(CMAKE_CXX_FLAGS "-pedantic-errors")
-            add_compile_definitions(DAGMC=1)
+            add_compile_definitions(OPENMC_DAGMC_ENABLED=1)
             """.format(openmc_dir)))
 
     # Create temporary build directory and change to there
diff --git a/tests/regression_tests/external_moab/test.py b/tests/regression_tests/external_moab/test.py
index ce4e78a2c..2d64eb14b 100644
--- a/tests/regression_tests/external_moab/test.py
+++ b/tests/regression_tests/external_moab/test.py
@@ -39,7 +39,7 @@ def cpp_driver(request):
             target_link_libraries(main OpenMC::libopenmc)
             target_compile_features(main PUBLIC cxx_std_14)
             set(CMAKE_CXX_FLAGS "-pedantic-errors")
-            add_compile_definitions(DAGMC=1)
+            add_compile_definitions(OPENMC_DAGMC_ENABLED=1)
             """.format(openmc_dir)))
 
     # Create temporary build directory and change to there

From 6b672f772f34c804cb729eb84aedb0a1b93576ea Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Sun, 27 Jul 2025 04:42:33 +0700
Subject: [PATCH 2362/2654] Allow already-initialized openmc.lib in
 TemporarySession (#3505)

---
 openmc/deplete/microxs.py | 10 ++--------
 openmc/lib/core.py        | 12 ++++++++----
 openmc/model/model.py     | 32 ++++++++++++--------------------
 3 files changed, 22 insertions(+), 32 deletions(-)

diff --git a/openmc/deplete/microxs.py b/openmc/deplete/microxs.py
index df78f8a26..4ce199f0c 100644
--- a/openmc/deplete/microxs.py
+++ b/openmc/deplete/microxs.py
@@ -352,7 +352,8 @@ class MicroXS:
         # Create 3D array for microscopic cross sections
         microxs_arr = np.zeros((len(nuclides), len(mts), 1))
 
-        def compute_microxs():
+        # Compute microscopic cross sections within a temporary session
+        with openmc.lib.TemporarySession(**init_kwargs):
             # For each nuclide and reaction, compute the flux-averaged xs
             for nuc_index, nuc in enumerate(nuclides):
                 if nuc not in nuclides_with_data:
@@ -363,13 +364,6 @@ class MicroXS:
                         mt, temperature, energies, multigroup_flux
                     )
 
-        # Compute microscopic cross sections within a temporary session
-        if not openmc.lib.is_initialized:
-            with openmc.lib.TemporarySession(**init_kwargs):
-                compute_microxs()
-        else:
-            compute_microxs()
-
         return cls(microxs_arr, nuclides, reactions)
 
     @classmethod
diff --git a/openmc/lib/core.py b/openmc/lib/core.py
index eac0e1784..9f8db69d5 100644
--- a/openmc/lib/core.py
+++ b/openmc/lib/core.py
@@ -654,9 +654,10 @@ class TemporarySession:
 
     def __enter__(self):
         """Initialize the OpenMC library in a temporary directory."""
-        # Make sure OpenMC is not already initialized
-        if openmc.lib.is_initialized:
-            raise RuntimeError("openmc.lib is already initialized.")
+        # If already initialized, the context manager is a no-op
+        self.already_initialized = openmc.lib.is_initialized
+        if self.already_initialized:
+            return self
 
         # Store original working directory
         self.orig_dir = Path.cwd()
@@ -675,8 +676,11 @@ class TemporarySession:
 
     def __exit__(self, exc_type, exc_value, traceback):
         """Finalize the OpenMC library and clean up temporary directory."""
+        if self.already_initialized:
+            return
+
         try:
-            openmc.lib.finalize()
+            finalize()
         finally:
             os.chdir(self.orig_dir)
             self.tmp_dir.cleanup()
diff --git a/openmc/model/model.py b/openmc/model/model.py
index 93e029a33..b1eff5b7c 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -996,16 +996,13 @@ class Model:
         plot_obj.v_res = pixels[1]
         plot_obj.basis = basis
 
-        if self.is_initialized:
-            return openmc.lib.id_map(plot_obj)
-        else:
-            # Silence output by default. Also set arguments to start in volume
-            # calculation mode to avoid loading cross sections
-            init_kwargs.setdefault('output', False)
-            init_kwargs.setdefault('args', ['-c'])
+        # Silence output by default. Also set arguments to start in volume
+        # calculation mode to avoid loading cross sections
+        init_kwargs.setdefault('output', False)
+        init_kwargs.setdefault('args', ['-c'])
 
-            with openmc.lib.TemporarySession(self, **init_kwargs):
-                return openmc.lib.id_map(plot_obj)
+        with openmc.lib.TemporarySession(self, **init_kwargs):
+            return openmc.lib.id_map(plot_obj)
 
     @add_plot_params
     def plot(
@@ -1229,20 +1226,15 @@ class Model:
         """
         import openmc.lib
 
-        if self.is_initialized:
+        # Silence output by default. Also set arguments to start in volume
+        # calculation mode to avoid loading cross sections
+        init_kwargs.setdefault('output', False)
+        init_kwargs.setdefault('args', ['-c'])
+
+        with openmc.lib.TemporarySession(self, **init_kwargs):
             return openmc.lib.sample_external_source(
                 n_samples=n_samples, prn_seed=prn_seed
             )
-        else:
-            # Silence output by default. Also set arguments to start in volume
-            # calculation mode to avoid loading cross sections
-            init_kwargs.setdefault('output', False)
-            init_kwargs.setdefault('args', ['-c'])
-
-            with openmc.lib.TemporarySession(self, **init_kwargs):
-                return openmc.lib.sample_external_source(
-                    n_samples=n_samples, prn_seed=prn_seed
-                )
 
     def apply_tally_results(self, statepoint: PathLike | openmc.StatePoint):
         """Apply results from a statepoint to tally objects on the Model

From 836bc487cf13e69a9d2d9ef3f79d3828609df4e4 Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?R=C3=A9mi=20Delaporte-Mathurin?=
 <40028739+RemDelaporteMathurin@users.noreply.github.com>
Date: Tue, 29 Jul 2025 05:34:03 -0400
Subject: [PATCH 2363/2654] Fix: `materials`, `plots`, and `tallies` cannot be
 passed as lists (#3513)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/model/model.py          | 18 ++++++++++++------
 tests/unit_tests/test_model.py | 13 +++++++++++++
 2 files changed, 25 insertions(+), 6 deletions(-)

diff --git a/openmc/model/model.py b/openmc/model/model.py
index b1eff5b7c..03fdcda1f 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -70,7 +70,7 @@ class Model:
     def __init__(
         self,
         geometry: openmc.Geometry | None = None,
-        materials: openmc.Materials = None,
+        materials: openmc.Materials | None = None,
         settings: openmc.Settings | None = None,
         tallies: openmc.Tallies | None = None,
         plots: openmc.Plots | None = None,
@@ -82,7 +82,7 @@ class Model:
         self.plots = openmc.Plots() if plots is None else plots
 
     @property
-    def geometry(self) -> openmc.Geometry | None:
+    def geometry(self) -> openmc.Geometry:
         return self._geometry
 
     @geometry.setter
@@ -91,7 +91,7 @@ class Model:
         self._geometry = geometry
 
     @property
-    def materials(self) -> openmc.Materials | None:
+    def materials(self) -> openmc.Materials:
         return self._materials
 
     @materials.setter
@@ -100,12 +100,14 @@ class Model:
         if isinstance(materials, openmc.Materials):
             self._materials = materials
         else:
+            if not hasattr(self, '_materials'):
+                self._materials = openmc.Materials()
             del self._materials[:]
             for mat in materials:
                 self._materials.append(mat)
 
     @property
-    def settings(self) -> openmc.Settings | None:
+    def settings(self) -> openmc.Settings:
         return self._settings
 
     @settings.setter
@@ -114,7 +116,7 @@ class Model:
         self._settings = settings
 
     @property
-    def tallies(self) -> openmc.Tallies | None:
+    def tallies(self) -> openmc.Tallies:
         return self._tallies
 
     @tallies.setter
@@ -123,12 +125,14 @@ class Model:
         if isinstance(tallies, openmc.Tallies):
             self._tallies = tallies
         else:
+            if not hasattr(self, '_tallies'):
+                self._tallies = openmc.Tallies()
             del self._tallies[:]
             for tally in tallies:
                 self._tallies.append(tally)
 
     @property
-    def plots(self) -> openmc.Plots | None:
+    def plots(self) -> openmc.Plots:
         return self._plots
 
     @plots.setter
@@ -137,6 +141,8 @@ class Model:
         if isinstance(plots, openmc.Plots):
             self._plots = plots
         else:
+            if not hasattr(self, '_plots'):
+                self._plots = openmc.Plots()
             del self._plots[:]
             for plot in plots:
                 self._plots.append(plot)
diff --git a/tests/unit_tests/test_model.py b/tests/unit_tests/test_model.py
index 3797188ba..6e4dec00f 100644
--- a/tests/unit_tests/test_model.py
+++ b/tests/unit_tests/test_model.py
@@ -892,3 +892,16 @@ def test_id_map_aligned_model():
     assert tr_cell == 20, f"Expected cell ID 20 at top-right corner, got {tr_cell}"
     assert tr_instance == 3, f"Expected cell instance 3 at top-right corner, got {tr_instance}"
     assert tr_material == 5, f"Expected material ID 5 at top-right corner, got {tr_material}"
+
+def test_setter_from_list():
+    mat = openmc.Material()
+    model = openmc.Model(materials=[mat])
+    assert isinstance(model.materials, openmc.Materials)
+
+    tally = openmc.Tally()
+    model = openmc.Model(tallies=[tally])
+    assert isinstance(model.tallies, openmc.Tallies)
+
+    plot = openmc.Plot()
+    model = openmc.Model(plots=[plot])
+    assert isinstance(model.plots, openmc.Plots)

From 4cce6ee6c05c3070bb5f256324f064570b2869bc Mon Sep 17 00:00:00 2001
From: John Tramm <john.tramm@gmail.com>
Date: Tue, 29 Jul 2025 05:15:40 -0500
Subject: [PATCH 2364/2654] Fix for Weight Window Scaling Bug (#3511)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 include/openmc/weight_windows.h                         | 1 +
 tests/regression_tests/weightwindows/generators/test.py | 4 ++--
 tests/regression_tests/weightwindows/results_true.dat   | 2 +-
 tests/regression_tests/weightwindows/test.py            | 6 +++---
 tests/testing_harness.py                                | 2 +-
 tests/unit_tests/weightwindows/test_ww_gen.py           | 2 +-
 tests/unit_tests/weightwindows/test_wwinp_reader.py     | 2 +-
 7 files changed, 10 insertions(+), 9 deletions(-)

diff --git a/include/openmc/weight_windows.h b/include/openmc/weight_windows.h
index 6f2ef0707..763815522 100644
--- a/include/openmc/weight_windows.h
+++ b/include/openmc/weight_windows.h
@@ -71,6 +71,7 @@ struct WeightWindow {
   {
     lower_weight *= factor;
     upper_weight *= factor;
+    survival_weight *= factor;
   }
 };
 
diff --git a/tests/regression_tests/weightwindows/generators/test.py b/tests/regression_tests/weightwindows/generators/test.py
index d6a40b44f..4dc0ab80d 100644
--- a/tests/regression_tests/weightwindows/generators/test.py
+++ b/tests/regression_tests/weightwindows/generators/test.py
@@ -46,14 +46,14 @@ def test_ww_generator(run_in_tmpdir):
     # just test that the generation happens successfully here
     assert os.path.exists('weight_windows.h5')
 
-    wws_mean = openmc.hdf5_to_wws()
+    wws_mean = openmc.WeightWindowsList.from_hdf5()
     assert len(wws_mean) == 1
 
     # check that generation using the relative error works too
     wwg.update_parameters['value'] = 'rel_err'
     model.run()
 
-    wws_rel_err = openmc.hdf5_to_wws()
+    wws_rel_err = openmc.WeightWindowsList.from_hdf5()
     assert len(wws_rel_err) == 1
 
     # we should not get the same set of weight windows when switching to use of
diff --git a/tests/regression_tests/weightwindows/results_true.dat b/tests/regression_tests/weightwindows/results_true.dat
index 671be1d7b..122c5d890 100644
--- a/tests/regression_tests/weightwindows/results_true.dat
+++ b/tests/regression_tests/weightwindows/results_true.dat
@@ -1 +1 @@
-a5880ad9262e8aba90801783891ee74618144101401f06fb46e954e851a3c517ab28d5f0d6e1b2b364844f08d363cba35ab23b63fc81012ea8a6a328755d56c4
\ No newline at end of file
+5df0c08573ccee3fd3495c877c7dc0c4b69c245faf8473b848c89fb837dea7fd437936ffebeb6455c793e66046c46eb0ad6941cc5ef1699fc5fc8a7fcb9b5a0c
\ No newline at end of file
diff --git a/tests/regression_tests/weightwindows/test.py b/tests/regression_tests/weightwindows/test.py
index 864f4f062..cfb651338 100644
--- a/tests/regression_tests/weightwindows/test.py
+++ b/tests/regression_tests/weightwindows/test.py
@@ -1,4 +1,3 @@
-from copy import deepcopy
 import pytest
 import numpy as np
 
@@ -8,6 +7,7 @@ from openmc.stats import Discrete, Point
 from tests.testing_harness import HashedPyAPITestHarness
 
 
+
 @pytest.fixture
 def model():
     model = openmc.Model()
@@ -114,7 +114,7 @@ def test_weightwindows(model):
 
 def test_wwinp_cylindrical():
 
-    ww = openmc.wwinp_to_wws('ww_n_cyl.txt')[0]
+    ww = openmc.WeightWindowsList.from_wwinp('ww_n_cyl.txt')[0]
 
     mesh = ww.mesh
 
@@ -144,7 +144,7 @@ def test_wwinp_cylindrical():
 
 def test_wwinp_spherical():
 
-    ww = openmc.wwinp_to_wws('ww_n_sph.txt')[0]
+    ww = openmc.WeightWindowsList.from_wwinp('ww_n_sph.txt')[0]
 
     mesh = ww.mesh
 
diff --git a/tests/testing_harness.py b/tests/testing_harness.py
index 6de475e6e..11ced5b38 100644
--- a/tests/testing_harness.py
+++ b/tests/testing_harness.py
@@ -443,7 +443,7 @@ class TolerantPyAPITestHarness(PyAPITestHarness):
 class WeightWindowPyAPITestHarness(PyAPITestHarness):
     def _get_results(self):
         """Digest info in the weight window file and return as a string."""
-        ww = openmc.hdf5_to_wws()[0]
+        ww = openmc.WeightWindowsList.from_hdf5()[0]
 
         # Access the weight window bounds
         lower_bound = ww.lower_ww_bounds
diff --git a/tests/unit_tests/weightwindows/test_ww_gen.py b/tests/unit_tests/weightwindows/test_ww_gen.py
index 555421461..7ee03f55c 100644
--- a/tests/unit_tests/weightwindows/test_ww_gen.py
+++ b/tests/unit_tests/weightwindows/test_ww_gen.py
@@ -303,7 +303,7 @@ def test_python_hdf5_roundtrip(run_in_tmpdir, model):
 
     openmc.lib.finalize()
 
-    wws_hdf5 = openmc.hdf5_to_wws()[0]
+    wws_hdf5 = openmc.WeightWindowsList.from_hdf5()[0]
 
     # ensure
     assert all(wws.energy_bounds == wws_hdf5.energy_bounds)
diff --git a/tests/unit_tests/weightwindows/test_wwinp_reader.py b/tests/unit_tests/weightwindows/test_wwinp_reader.py
index 434a36753..28548a448 100644
--- a/tests/unit_tests/weightwindows/test_wwinp_reader.py
+++ b/tests/unit_tests/weightwindows/test_wwinp_reader.py
@@ -96,7 +96,7 @@ def id_fn(params):
 def test_wwinp_reader(wwinp_data, request):
     wwinp_file, mesh, particle_types, energy_bounds = wwinp_data
 
-    wws = openmc.wwinp_to_wws(request.node.path.parent / wwinp_file)
+    wws = openmc.WeightWindowsList.from_wwinp(request.node.path.parent / wwinp_file)
 
     for i, ww in enumerate(wws):
         e_bounds = energy_bounds[i]

From 6f5e1347d4bed2af88060c6644b20a6949c7a192 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Tue, 29 Jul 2025 12:17:51 +0100
Subject: [PATCH 2365/2654] Add test for FW-CADIS based WW generation on a
 DAGMC model (#3504)

Co-authored-by: Jon Shimwell <jon@proximafusion.com>
Co-authored-by: Patrick Shriwise <pshriwise@gmail.com>
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 src/dagmc.cpp                                 |   2 +-
 .../dagmc/dagmc_tetrahedral_no_graveyard.h5m  | Bin 0 -> 31448 bytes
 tests/unit_tests/weightwindows/test_ww_gen.py |  70 ++++++++++++++++++
 3 files changed, 71 insertions(+), 1 deletion(-)
 create mode 100644 tests/unit_tests/dagmc/dagmc_tetrahedral_no_graveyard.h5m

diff --git a/src/dagmc.cpp b/src/dagmc.cpp
index 8c81952a7..b2ebe89c0 100644
--- a/src/dagmc.cpp
+++ b/src/dagmc.cpp
@@ -672,7 +672,7 @@ std::pair<double, int32_t> DAGCell::distance(
     p->last_dir() = u;
     p->history().reset();
   }
-  if (on_surface == 0) {
+  if (on_surface == SURFACE_NONE) {
     p->history().reset();
   }
 
diff --git a/tests/unit_tests/dagmc/dagmc_tetrahedral_no_graveyard.h5m b/tests/unit_tests/dagmc/dagmc_tetrahedral_no_graveyard.h5m
new file mode 100644
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GIT binary patch
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diff --git a/tests/unit_tests/weightwindows/test_ww_gen.py b/tests/unit_tests/weightwindows/test_ww_gen.py
index 7ee03f55c..a4456e680 100644
--- a/tests/unit_tests/weightwindows/test_ww_gen.py
+++ b/tests/unit_tests/weightwindows/test_ww_gen.py
@@ -1,3 +1,4 @@
+import copy
 from itertools import permutations
 from pathlib import Path
 
@@ -332,3 +333,72 @@ def test_ww_bounds_set_in_memory(run_in_tmpdir, model):
     wws.bounds = (bounds, bounds)
 
     openmc.lib.finalize()
+
+
+@pytest.mark.skipif(not openmc.lib._dagmc_enabled(), reason="DAGMC CAD geometry is not enabled.")
+def test_ww_generation_with_dagmc(run_in_tmpdir):
+    mat1 = openmc.Material(name="1")
+    mat1.add_nuclide("H1", 1, percent_type="ao")
+    mat1.set_density("g/cm3", 0.001)
+
+    materials = openmc.Materials([mat1])
+    dag_univ = openmc.DAGMCUniverse(
+        Path(__file__).parent.parent / "dagmc" / "dagmc_tetrahedral_no_graveyard.h5m")
+    bound_dag_univ = dag_univ.bounded_universe(padding_distance=1)
+    geometry = openmc.Geometry(bound_dag_univ)
+
+    settings = openmc.Settings()
+    settings.batches = 6
+    settings.particles = 30
+    settings.run_mode = "fixed source"
+
+    # Create a point source which are supported by random ray mode
+    my_source = openmc.IndependentSource()
+    my_source.space = openmc.stats.Point((0.25, 0.25, 0.25))
+    my_source.energy = openmc.stats.delta_function(14e6)
+    settings.source = my_source
+
+    model = openmc.Model(geometry, materials, settings)
+
+    rr_model = copy.deepcopy(model)
+    rr_model.settings.inactive = 3
+
+    rr_model.convert_to_multigroup(
+        method="stochastic_slab",
+        overwrite_mgxs_library=True,
+        nparticles=10,
+        groups="CASMO-2"
+    )
+
+    rr_model.convert_to_random_ray()
+
+    mesh = openmc.RegularMesh.from_domain(rr_model, dimension=(4, 4, 4))
+
+    # avoid writing files we don't make use of
+    rr_model.settings.output = {"summary": False, "tallies": False}
+
+    # Subdivide random ray source regions
+    rr_model.settings.random_ray["source_region_meshes"] = [
+        (mesh, [rr_model.geometry.root_universe])
+    ]
+
+    # less likely to get negative values in the weight window
+    rr_model.settings.random_ray["volume_estimator"] = "naive"
+
+    # Add a weight window generator to the model
+    rr_model.settings.weight_window_generators = openmc.WeightWindowGenerator(
+        method="fw_cadis",
+        mesh=mesh,
+        max_realizations=42,
+        particle_type='neutron',
+        energy_bounds=[0.0, 100e6]
+    )
+
+    rr_model.run()
+
+    model.settings.weight_windows_on = True
+    model.settings.weight_window_checkpoints = {"collision": True, "surface": True}
+    model.settings.survival_biasing = False
+    model.settings.weight_windows = openmc.WeightWindowsList.from_hdf5()
+
+    model.run()

From a64cc96ed5acfd063598cc8fc57f4ff0c9285eed Mon Sep 17 00:00:00 2001
From: GuySten <62616591+GuySten@users.noreply.github.com>
Date: Wed, 30 Jul 2025 20:10:34 +0300
Subject: [PATCH 2366/2654] Fixed a bug in distribcell offsets logic (#3424)

---
 include/openmc/cell.h                         |  13 ++-
 include/openmc/geometry_aux.h                 |  12 +-
 include/openmc/lattice.h                      |   2 +-
 include/openmc/universe.h                     |   1 +
 src/cell.cpp                                  |  13 ++-
 src/finalize.cpp                              |   1 -
 src/geometry_aux.cpp                          |  85 +++++---------
 src/lattice.cpp                               |   5 +-
 src/random_ray/flat_source_domain.cpp         |  10 +-
 src/tallies/filter_distribcell.cpp            |   2 +-
 .../lattice_distribmat/False/inputs_true.dat  |  74 ++++++++++++
 .../lattice_distribmat/False/results_true.dat |   2 +
 .../lattice_distribmat/True/inputs_true.dat   | 107 ++++++++++++++++++
 .../lattice_distribmat/True/results_true.dat  |   2 +
 .../lattice_distribmat/__init__.py            |   0
 .../lattice_distribmat/test.py                |  83 ++++++++++++++
 16 files changed, 325 insertions(+), 87 deletions(-)
 create mode 100644 tests/regression_tests/lattice_distribmat/False/inputs_true.dat
 create mode 100644 tests/regression_tests/lattice_distribmat/False/results_true.dat
 create mode 100644 tests/regression_tests/lattice_distribmat/True/inputs_true.dat
 create mode 100644 tests/regression_tests/lattice_distribmat/True/results_true.dat
 create mode 100644 tests/regression_tests/lattice_distribmat/__init__.py
 create mode 100644 tests/regression_tests/lattice_distribmat/test.py

diff --git a/include/openmc/cell.h b/include/openmc/cell.h
index 98709fb33..e9fcfe391 100644
--- a/include/openmc/cell.h
+++ b/include/openmc/cell.h
@@ -226,6 +226,8 @@ public:
   void set_temperature(
     double T, int32_t instance = -1, bool set_contained = false);
 
+  int32_t n_instances() const;
+
   //! Set the rotation matrix of a cell instance
   //! \param[in] rot The rotation matrix of length 3 or 9
   void set_rotation(const vector<double>& rot);
@@ -312,12 +314,11 @@ public:
   //----------------------------------------------------------------------------
   // Data members
 
-  int32_t id_;              //!< Unique ID
-  std::string name_;        //!< User-defined name
-  Fill type_;               //!< Material, universe, or lattice
-  int32_t universe_;        //!< Universe # this cell is in
-  int32_t fill_;            //!< Universe # filling this cell
-  int32_t n_instances_ {0}; //!< Number of instances of this cell
+  int32_t id_;       //!< Unique ID
+  std::string name_; //!< User-defined name
+  Fill type_;        //!< Material, universe, or lattice
+  int32_t universe_; //!< Universe # this cell is in
+  int32_t fill_;     //!< Universe # filling this cell
 
   //! \brief Index corresponding to this cell in distribcell arrays
   int distribcell_index_ {C_NONE};
diff --git a/include/openmc/geometry_aux.h b/include/openmc/geometry_aux.h
index 0c870c9fb..f60f2d649 100644
--- a/include/openmc/geometry_aux.h
+++ b/include/openmc/geometry_aux.h
@@ -15,8 +15,6 @@
 namespace openmc {
 
 namespace model {
-extern std::unordered_map<int32_t, std::unordered_map<int32_t, int32_t>>
-  universe_cell_counts;
 extern std::unordered_map<int32_t, int32_t> universe_level_counts;
 } // namespace model
 
@@ -80,15 +78,13 @@ void prepare_distribcell(
   const std::vector<int32_t>* user_distribcells = nullptr);
 
 //==============================================================================
-//! Recursively search through the geometry and count cell instances.
+//! Recursively search through the geometry and count universe instances.
 //!
-//! This function will update the Cell::n_instances value for each cell in the
-//! geometry.
-//! \param univ_indx The index of the universe to begin searching from (probably
-//!   the root universe).
+//! This function will update Universe.n_instances_ for each
+//! universe in the geometry.
 //==============================================================================
 
-void count_cell_instances(int32_t univ_indx);
+void count_universe_instances();
 
 //==============================================================================
 //! Recursively search through universes and count universe instances.
diff --git a/include/openmc/lattice.h b/include/openmc/lattice.h
index fb374ab75..f87d28b21 100644
--- a/include/openmc/lattice.h
+++ b/include/openmc/lattice.h
@@ -76,7 +76,7 @@ public:
   }
 
   //! Populate the distribcell offset tables.
-  int32_t fill_offset_table(int32_t offset, int32_t target_univ_id, int map,
+  int32_t fill_offset_table(int32_t target_univ_id, int map,
     std::unordered_map<int32_t, int32_t>& univ_count_memo);
 
   //! \brief Check lattice indices.
diff --git a/include/openmc/universe.h b/include/openmc/universe.h
index 52df432b8..b7450224f 100644
--- a/include/openmc/universe.h
+++ b/include/openmc/universe.h
@@ -29,6 +29,7 @@ class Universe {
 public:
   int32_t id_;            //!< Unique ID
   vector<int32_t> cells_; //!< Cells within this universe
+  int32_t n_instances_;   //!< Number of instances of this universe
 
   //! \brief Write universe information to an HDF5 group.
   //! \param group_id An HDF5 group id.
diff --git a/src/cell.cpp b/src/cell.cpp
index b6862ba17..d838bfbb4 100644
--- a/src/cell.cpp
+++ b/src/cell.cpp
@@ -40,6 +40,11 @@ vector<unique_ptr<Cell>> cells;
 // Cell implementation
 //==============================================================================
 
+int32_t Cell::n_instances() const
+{
+  return model::universes[universe_]->n_instances_;
+}
+
 void Cell::set_rotation(const vector<double>& rot)
 {
   if (fill_ == C_NONE) {
@@ -115,8 +120,8 @@ void Cell::set_temperature(double T, int32_t instance, bool set_contained)
   if (type_ == Fill::MATERIAL) {
     if (instance >= 0) {
       // If temperature vector is not big enough, resize it first
-      if (sqrtkT_.size() != n_instances_)
-        sqrtkT_.resize(n_instances_, sqrtkT_[0]);
+      if (sqrtkT_.size() != n_instances())
+        sqrtkT_.resize(n_instances(), sqrtkT_[0]);
 
       // Set temperature for the corresponding instance
       sqrtkT_.at(instance) = std::sqrt(K_BOLTZMANN * T);
@@ -170,7 +175,7 @@ void Cell::import_properties_hdf5(hid_t group)
 
   // Ensure number of temperatures makes sense
   auto n_temps = temps.size();
-  if (n_temps > 1 && n_temps != n_instances_) {
+  if (n_temps > 1 && n_temps != n_instances()) {
     throw std::runtime_error(fmt::format(
       "Number of temperatures for cell {} doesn't match number of instances",
       id_));
@@ -1618,7 +1623,7 @@ extern "C" int openmc_cell_get_num_instances(
     set_errmsg("Index in cells array is out of bounds.");
     return OPENMC_E_OUT_OF_BOUNDS;
   }
-  *num_instances = model::cells[index]->n_instances_;
+  *num_instances = model::cells[index]->n_instances();
   return 0;
 }
 
diff --git a/src/finalize.cpp b/src/finalize.cpp
index 2d14cdec8..e38b0b251 100644
--- a/src/finalize.cpp
+++ b/src/finalize.cpp
@@ -185,7 +185,6 @@ int openmc_finalize()
 int openmc_reset()
 {
 
-  model::universe_cell_counts.clear();
   model::universe_level_counts.clear();
 
   for (auto& t : model::tallies) {
diff --git a/src/geometry_aux.cpp b/src/geometry_aux.cpp
index 2f8a55743..51732cf8b 100644
--- a/src/geometry_aux.cpp
+++ b/src/geometry_aux.cpp
@@ -25,21 +25,9 @@
 namespace openmc {
 
 namespace model {
-std::unordered_map<int32_t, std::unordered_map<int32_t, int32_t>>
-  universe_cell_counts;
 std::unordered_map<int32_t, int32_t> universe_level_counts;
 } // namespace model
 
-// adds the cell counts of universe b to universe a
-void update_universe_cell_count(int32_t a, int32_t b)
-{
-  auto& universe_a_counts = model::universe_cell_counts[a];
-  const auto& universe_b_counts = model::universe_cell_counts[b];
-  for (const auto& it : universe_b_counts) {
-    universe_a_counts[it.first] += it.second;
-  }
-}
-
 void read_geometry_xml()
 {
   // Display output message
@@ -263,7 +251,7 @@ void finalize_geometry()
 {
   // Perform some final operations to set up the geometry
   adjust_indices();
-  count_cell_instances(model::root_universe);
+  count_universe_instances();
   partition_universes();
 
   // Assign temperatures to cells that don't have temperatures already assigned
@@ -356,35 +344,38 @@ void prepare_distribcell(const std::vector<int32_t>* user_distribcells)
     Cell& c {*model::cells[i]};
 
     if (c.material_.size() > 1) {
-      if (c.material_.size() != c.n_instances_) {
+      if (c.material_.size() != c.n_instances()) {
         fatal_error(fmt::format(
           "Cell {} was specified with {} materials but has {} distributed "
           "instances. The number of materials must equal one or the number "
           "of instances.",
-          c.id_, c.material_.size(), c.n_instances_));
+          c.id_, c.material_.size(), c.n_instances()));
       }
     }
 
     if (c.sqrtkT_.size() > 1) {
-      if (c.sqrtkT_.size() != c.n_instances_) {
+      if (c.sqrtkT_.size() != c.n_instances()) {
         fatal_error(fmt::format(
           "Cell {} was specified with {} temperatures but has {} distributed "
           "instances. The number of temperatures must equal one or the number "
           "of instances.",
-          c.id_, c.sqrtkT_.size(), c.n_instances_));
+          c.id_, c.sqrtkT_.size(), c.n_instances()));
       }
     }
   }
 
   // Search through universes for material cells and assign each one a
-  // unique distribcell array index.
-  int distribcell_index = 0;
+  // distribcell array index according to the containing universe.
   vector<int32_t> target_univ_ids;
   for (const auto& u : model::universes) {
     for (auto idx : u->cells_) {
       if (distribcells.find(idx) != distribcells.end()) {
-        model::cells[idx]->distribcell_index_ = distribcell_index++;
-        target_univ_ids.push_back(u->id_);
+        if (!contains(target_univ_ids, u->id_)) {
+          target_univ_ids.push_back(u->id_);
+        }
+        model::cells[idx]->distribcell_index_ =
+          std::find(target_univ_ids.begin(), target_univ_ids.end(), u->id_) -
+          target_univ_ids.begin();
       }
     }
   }
@@ -419,8 +410,7 @@ void prepare_distribcell(const std::vector<int32_t>* user_distribcells)
         } else if (c.type_ == Fill::LATTICE) {
           c.offset_[map] = offset;
           Lattice& lat = *model::lattices[c.fill_];
-          offset +=
-            lat.fill_offset_table(offset, target_univ_id, map, univ_count_memo);
+          offset += lat.fill_offset_table(target_univ_id, map, univ_count_memo);
         }
       }
     }
@@ -429,32 +419,12 @@ void prepare_distribcell(const std::vector<int32_t>* user_distribcells)
 
 //==============================================================================
 
-void count_cell_instances(int32_t univ_indx)
+void count_universe_instances()
 {
-  const auto univ_counts = model::universe_cell_counts.find(univ_indx);
-  if (univ_counts != model::universe_cell_counts.end()) {
-    for (const auto& it : univ_counts->second) {
-      model::cells[it.first]->n_instances_ += it.second;
-    }
-  } else {
-    for (int32_t cell_indx : model::universes[univ_indx]->cells_) {
-      Cell& c = *model::cells[cell_indx];
-      ++c.n_instances_;
-      model::universe_cell_counts[univ_indx][cell_indx] += 1;
-
-      if (c.type_ == Fill::UNIVERSE) {
-        // This cell contains another universe.  Recurse into that universe.
-        count_cell_instances(c.fill_);
-        update_universe_cell_count(univ_indx, c.fill_);
-      } else if (c.type_ == Fill::LATTICE) {
-        // This cell contains a lattice.  Recurse into the lattice universes.
-        Lattice& lat = *model::lattices[c.fill_];
-        for (auto it = lat.begin(); it != lat.end(); ++it) {
-          count_cell_instances(*it);
-          update_universe_cell_count(univ_indx, *it);
-        }
-      }
-    }
+  for (auto& univ : model::universes) {
+    std::unordered_map<int32_t, int32_t> univ_count_memo;
+    univ->n_instances_ = count_universe_instances(
+      model::root_universe, univ->id_, univ_count_memo);
   }
 }
 
@@ -528,19 +498,16 @@ std::string distribcell_path_inner(int32_t target_cell, int32_t map,
 
     // Material cells don't contain other cells so ignore them.
     if (c.type_ != Fill::MATERIAL) {
-      int32_t temp_offset;
-      if (c.type_ == Fill::UNIVERSE) {
-        temp_offset =
-          offset + c.offset_[map]; // TODO: should also apply to lattice fills?
-      } else {
+      int32_t temp_offset = offset + c.offset_[map];
+      if (c.type_ == Fill::LATTICE) {
         Lattice& lat = *model::lattices[c.fill_];
         int32_t indx = lat.universes_.size() * map + lat.begin().indx_;
-        temp_offset = offset + lat.offsets_[indx];
+        temp_offset += lat.offsets_[indx];
       }
 
       // The desired cell is the first cell that gives an offset smaller or
       // equal to the target offset.
-      if (temp_offset <= target_offset - c.offset_[map])
+      if (temp_offset <= target_offset)
         break;
     }
   }
@@ -570,12 +537,12 @@ std::string distribcell_path_inner(int32_t target_cell, int32_t map,
     path << "l" << lat.id_;
     for (ReverseLatticeIter it = lat.rbegin(); it != lat.rend(); ++it) {
       int32_t indx = lat.universes_.size() * map + it.indx_;
-      int32_t temp_offset = offset + lat.offsets_[indx];
-      if (temp_offset <= target_offset - c.offset_[map]) {
+      int32_t temp_offset = offset + lat.offsets_[indx] + c.offset_[map];
+      if (temp_offset <= target_offset) {
         offset = temp_offset;
         path << "(" << lat.index_to_string(it.indx_) << ")->";
-        path << distribcell_path_inner(target_cell, map, target_offset,
-          *model::universes[*it], offset + c.offset_[map]);
+        path << distribcell_path_inner(
+          target_cell, map, target_offset, *model::universes[*it], offset);
         return path.str();
       }
     }
diff --git a/src/lattice.cpp b/src/lattice.cpp
index 73005ad09..efbfcb216 100644
--- a/src/lattice.cpp
+++ b/src/lattice.cpp
@@ -103,8 +103,8 @@ void Lattice::adjust_indices()
 
 //==============================================================================
 
-int32_t Lattice::fill_offset_table(int32_t offset, int32_t target_univ_id,
-  int map, std::unordered_map<int32_t, int32_t>& univ_count_memo)
+int32_t Lattice::fill_offset_table(int32_t target_univ_id, int map,
+  std::unordered_map<int32_t, int32_t>& univ_count_memo)
 {
   // If the offsets have already been determined for this "map", don't bother
   // recalculating all of them and just return the total offset. Note that the
@@ -119,6 +119,7 @@ int32_t Lattice::fill_offset_table(int32_t offset, int32_t target_univ_id,
            count_universe_instances(last_univ, target_univ_id, univ_count_memo);
   }
 
+  int32_t offset = 0;
   for (LatticeIter it = begin(); it != end(); ++it) {
     offsets_[map * universes_.size() + it.indx_] = offset;
     offset += count_universe_instances(*it, target_univ_id, univ_count_memo);
diff --git a/src/random_ray/flat_source_domain.cpp b/src/random_ray/flat_source_domain.cpp
index b04b72981..409238830 100644
--- a/src/random_ray/flat_source_domain.cpp
+++ b/src/random_ray/flat_source_domain.cpp
@@ -46,7 +46,7 @@ FlatSourceDomain::FlatSourceDomain() : negroups_(data::mg.num_energy_groups_)
       source_region_offsets_.push_back(-1);
     } else {
       source_region_offsets_.push_back(base_source_regions);
-      base_source_regions += c->n_instances_;
+      base_source_regions += c->n_instances();
     }
   }
 
@@ -61,7 +61,7 @@ FlatSourceDomain::FlatSourceDomain() : negroups_(data::mg.num_energy_groups_)
   for (int i = 0; i < model::cells.size(); i++) {
     Cell& cell = *model::cells[i];
     if (cell.type_ == Fill::MATERIAL) {
-      for (int j = 0; j < cell.n_instances_; j++) {
+      for (int j = 0; j < cell.n_instances(); j++) {
         source_regions_.material(source_region_id++) = cell.material(j);
       }
     }
@@ -1014,7 +1014,7 @@ void FlatSourceDomain::apply_external_source_to_cell_and_children(
   Cell& cell = *model::cells[i_cell];
 
   if (cell.type_ == Fill::MATERIAL) {
-    vector<int> instances(cell.n_instances_);
+    vector<int> instances(cell.n_instances());
     std::iota(instances.begin(), instances.end(), 0);
     apply_external_source_to_cell_instances(
       i_cell, discrete, strength_factor, target_material_id, instances);
@@ -1343,12 +1343,12 @@ void FlatSourceDomain::apply_mesh_to_cell_and_children(int32_t i_cell,
   Cell& cell = *model::cells[i_cell];
 
   if (cell.type_ == Fill::MATERIAL) {
-    vector<int> instances(cell.n_instances_);
+    vector<int> instances(cell.n_instances());
     std::iota(instances.begin(), instances.end(), 0);
     apply_mesh_to_cell_instances(
       i_cell, mesh_idx, target_material_id, instances, is_target_void);
   } else if (target_material_id == C_NONE && !is_target_void) {
-    for (int j = 0; j < cell.n_instances_; j++) {
+    for (int j = 0; j < cell.n_instances(); j++) {
       std::unordered_map<int32_t, vector<int32_t>> cell_instance_list =
         cell.get_contained_cells(j, nullptr);
       for (const auto& pair : cell_instance_list) {
diff --git a/src/tallies/filter_distribcell.cpp b/src/tallies/filter_distribcell.cpp
index 02e88dde2..f511a6816 100644
--- a/src/tallies/filter_distribcell.cpp
+++ b/src/tallies/filter_distribcell.cpp
@@ -34,7 +34,7 @@ void DistribcellFilter::set_cell(int32_t cell)
   assert(cell >= 0);
   assert(cell < model::cells.size());
   cell_ = cell;
-  n_bins_ = model::cells[cell]->n_instances_;
+  n_bins_ = model::cells[cell]->n_instances();
 }
 
 void DistribcellFilter::get_all_bins(
diff --git a/tests/regression_tests/lattice_distribmat/False/inputs_true.dat b/tests/regression_tests/lattice_distribmat/False/inputs_true.dat
new file mode 100644
index 000000000..d39a10369
--- /dev/null
+++ b/tests/regression_tests/lattice_distribmat/False/inputs_true.dat
@@ -0,0 +1,74 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material depletable="true" id="1" name="UO2">
+      <density units="g/cm3" value="10.0"/>
+      <nuclide ao="1.0" name="U235"/>
+      <nuclide ao="2.0" name="O16"/>
+    </material>
+    <material id="2" name="light water">
+      <density units="g/cm3" value="1.0"/>
+      <nuclide ao="2.0" name="H1"/>
+      <nuclide ao="1.0" name="O16"/>
+      <sab name="c_H_in_H2O"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="-1" universe="1"/>
+    <cell id="2" material="2" region="1" universe="1"/>
+    <cell fill="2" id="3" region="2 -3 4 -5" universe="6"/>
+    <cell fill="3" id="4" region="2 -3 5 -9" universe="6"/>
+    <cell fill="4" id="5" region="3 -11 4 -5" universe="6"/>
+    <cell fill="5" id="6" region="3 -11 5 -9" universe="6"/>
+    <cell fill="6" id="7" region="18 -19 20 -21" universe="7"/>
+    <lattice id="2">
+      <pitch>1.0 1.0</pitch>
+      <outer>1</outer>
+      <dimension>1 1</dimension>
+      <lower_left>-1.0 -1.0</lower_left>
+      <universes>
+1 </universes>
+    </lattice>
+    <lattice id="3">
+      <pitch>1.0 1.0</pitch>
+      <outer>1</outer>
+      <dimension>1 1</dimension>
+      <lower_left>-1.0 0</lower_left>
+      <universes>
+1 </universes>
+    </lattice>
+    <lattice id="4">
+      <pitch>1.0 1.0</pitch>
+      <outer>1</outer>
+      <dimension>1 1</dimension>
+      <lower_left>0 -1.0</lower_left>
+      <universes>
+1 </universes>
+    </lattice>
+    <lattice id="5">
+      <pitch>1.0 1.0</pitch>
+      <outer>1</outer>
+      <dimension>1 1</dimension>
+      <lower_left>0 0</lower_left>
+      <universes>
+1 </universes>
+    </lattice>
+    <surface coeffs="0.0 0.0 0.4" id="1" type="z-cylinder"/>
+    <surface coeffs="-1.0" id="2" name="minimum x" type="x-plane"/>
+    <surface coeffs="0.0" id="3" name="maximum x" type="x-plane"/>
+    <surface coeffs="-1.0" id="4" name="minimum y" type="y-plane"/>
+    <surface coeffs="0.0" id="5" name="maximum y" type="y-plane"/>
+    <surface coeffs="1.0" id="9" name="maximum y" type="y-plane"/>
+    <surface coeffs="1.0" id="11" name="maximum x" type="x-plane"/>
+    <surface boundary="reflective" coeffs="-1.0" id="18" name="minimum x" type="x-plane"/>
+    <surface boundary="reflective" coeffs="1.0" id="19" name="maximum x" type="x-plane"/>
+    <surface boundary="reflective" coeffs="-1.0" id="20" name="minimum y" type="y-plane"/>
+    <surface boundary="reflective" coeffs="1.0" id="21" name="maximum y" type="y-plane"/>
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>1000</particles>
+    <batches>10</batches>
+    <inactive>5</inactive>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/lattice_distribmat/False/results_true.dat b/tests/regression_tests/lattice_distribmat/False/results_true.dat
new file mode 100644
index 000000000..45a9ddb0a
--- /dev/null
+++ b/tests/regression_tests/lattice_distribmat/False/results_true.dat
@@ -0,0 +1,2 @@
+k-combined:
+1.863277E+00 1.289821E-02
diff --git a/tests/regression_tests/lattice_distribmat/True/inputs_true.dat b/tests/regression_tests/lattice_distribmat/True/inputs_true.dat
new file mode 100644
index 000000000..450306a0c
--- /dev/null
+++ b/tests/regression_tests/lattice_distribmat/True/inputs_true.dat
@@ -0,0 +1,107 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material depletable="true" id="1" name="UO2">
+      <density units="g/cm3" value="10.0"/>
+      <nuclide ao="1.0" name="U235"/>
+      <nuclide ao="2.0" name="O16"/>
+    </material>
+    <material depletable="true" id="2" name="UO2">
+      <density units="g/cm3" value="10.0"/>
+      <nuclide ao="1.0" name="U235"/>
+      <nuclide ao="2.0" name="O16"/>
+    </material>
+    <material depletable="true" id="3" name="UO2">
+      <density units="g/cm3" value="10.0"/>
+      <nuclide ao="1.0" name="U235"/>
+      <nuclide ao="2.0" name="O16"/>
+    </material>
+    <material depletable="true" id="4" name="UO2">
+      <density units="g/cm3" value="10.0"/>
+      <nuclide ao="1.0" name="U235"/>
+      <nuclide ao="2.0" name="O16"/>
+    </material>
+    <material id="5" name="light water">
+      <density units="g/cm3" value="1.0"/>
+      <nuclide ao="2.0" name="H1"/>
+      <nuclide ao="1.0" name="O16"/>
+      <sab name="c_H_in_H2O"/>
+    </material>
+    <material id="6" name="light water">
+      <density units="g/cm3" value="1.0"/>
+      <nuclide ao="2.0" name="H1"/>
+      <nuclide ao="1.0" name="O16"/>
+      <sab name="c_H_in_H2O"/>
+    </material>
+    <material id="7" name="light water">
+      <density units="g/cm3" value="1.0"/>
+      <nuclide ao="2.0" name="H1"/>
+      <nuclide ao="1.0" name="O16"/>
+      <sab name="c_H_in_H2O"/>
+    </material>
+    <material id="8" name="light water">
+      <density units="g/cm3" value="1.0"/>
+      <nuclide ao="2.0" name="H1"/>
+      <nuclide ao="1.0" name="O16"/>
+      <sab name="c_H_in_H2O"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="8" material="1 2 3 4" region="-6" universe="8"/>
+    <cell id="9" material="5 6 7 8" region="6" universe="8"/>
+    <cell fill="9" id="10" region="7 -8 10 -12" universe="13"/>
+    <cell fill="10" id="11" region="7 -8 12 -16" universe="13"/>
+    <cell fill="11" id="12" region="8 -22 10 -12" universe="13"/>
+    <cell fill="12" id="13" region="8 -22 12 -16" universe="13"/>
+    <cell fill="13" id="14" region="29 -30 31 -32" universe="14"/>
+    <lattice id="9">
+      <pitch>1.0 1.0</pitch>
+      <outer>8</outer>
+      <dimension>1 1</dimension>
+      <lower_left>-1.0 -1.0</lower_left>
+      <universes>
+8 </universes>
+    </lattice>
+    <lattice id="10">
+      <pitch>1.0 1.0</pitch>
+      <outer>8</outer>
+      <dimension>1 1</dimension>
+      <lower_left>-1.0 0</lower_left>
+      <universes>
+8 </universes>
+    </lattice>
+    <lattice id="11">
+      <pitch>1.0 1.0</pitch>
+      <outer>8</outer>
+      <dimension>1 1</dimension>
+      <lower_left>0 -1.0</lower_left>
+      <universes>
+8 </universes>
+    </lattice>
+    <lattice id="12">
+      <pitch>1.0 1.0</pitch>
+      <outer>8</outer>
+      <dimension>1 1</dimension>
+      <lower_left>0 0</lower_left>
+      <universes>
+8 </universes>
+    </lattice>
+    <surface coeffs="0.0 0.0 0.4" id="6" type="z-cylinder"/>
+    <surface coeffs="-1.0" id="7" name="minimum x" type="x-plane"/>
+    <surface coeffs="0.0" id="8" name="maximum x" type="x-plane"/>
+    <surface coeffs="-1.0" id="10" name="minimum y" type="y-plane"/>
+    <surface coeffs="0.0" id="12" name="maximum y" type="y-plane"/>
+    <surface coeffs="1.0" id="16" name="maximum y" type="y-plane"/>
+    <surface coeffs="1.0" id="22" name="maximum x" type="x-plane"/>
+    <surface boundary="reflective" coeffs="-1.0" id="29" name="minimum x" type="x-plane"/>
+    <surface boundary="reflective" coeffs="1.0" id="30" name="maximum x" type="x-plane"/>
+    <surface boundary="reflective" coeffs="-1.0" id="31" name="minimum y" type="y-plane"/>
+    <surface boundary="reflective" coeffs="1.0" id="32" name="maximum y" type="y-plane"/>
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>1000</particles>
+    <batches>10</batches>
+    <inactive>5</inactive>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/lattice_distribmat/True/results_true.dat b/tests/regression_tests/lattice_distribmat/True/results_true.dat
new file mode 100644
index 000000000..45a9ddb0a
--- /dev/null
+++ b/tests/regression_tests/lattice_distribmat/True/results_true.dat
@@ -0,0 +1,2 @@
+k-combined:
+1.863277E+00 1.289821E-02
diff --git a/tests/regression_tests/lattice_distribmat/__init__.py b/tests/regression_tests/lattice_distribmat/__init__.py
new file mode 100644
index 000000000..e69de29bb
diff --git a/tests/regression_tests/lattice_distribmat/test.py b/tests/regression_tests/lattice_distribmat/test.py
new file mode 100644
index 000000000..4d0b6e156
--- /dev/null
+++ b/tests/regression_tests/lattice_distribmat/test.py
@@ -0,0 +1,83 @@
+import numpy as np
+import openmc
+from openmc.utility_funcs import change_directory
+import pytest
+
+from tests.testing_harness import PyAPITestHarness
+
+
+@pytest.fixture
+def model():
+    model = openmc.model.Model()
+
+    uo2 = openmc.Material(name='UO2')
+    uo2.set_density('g/cm3', 10.0)
+    uo2.add_nuclide('U235', 1.0)
+    uo2.add_nuclide('O16', 2.0)
+    water = openmc.Material(name='light water')
+    water.add_nuclide('H1', 2.0)
+    water.add_nuclide('O16', 1.0)
+    water.set_density('g/cm3', 1.0)
+    water.add_s_alpha_beta('c_H_in_H2O')
+    model.materials.extend([uo2, water])
+
+    cyl = openmc.ZCylinder(r=0.4)
+    pin = openmc.model.pin([cyl], [uo2, water])
+    d = 1.0
+    
+    lattice00 = openmc.RectLattice()
+    lattice00.lower_left = (-d, -d)
+    lattice00.pitch = (d, d)
+    lattice00.outer = pin
+    lattice00.universes = [[pin]]
+    box00 = openmc.model.RectangularPrism(d, d, origin=(-d/2,-d/2))
+    
+    lattice01 = openmc.RectLattice()
+    lattice01.lower_left = (-d, 0)
+    lattice01.pitch = (d, d)
+    lattice01.outer = pin
+    lattice01.universes = [[pin]]
+    box01 = openmc.model.RectangularPrism(d, d, origin=(-d/2,d/2))
+    
+    lattice10 = openmc.RectLattice()
+    lattice10.lower_left = (0, -d)
+    lattice10.pitch = (d, d)
+    lattice10.outer = pin
+    lattice10.universes = [[pin]]
+    box10 = openmc.model.RectangularPrism(d, d, origin=(d/2,-d/2))
+    
+    lattice11 = openmc.RectLattice()
+    lattice11.lower_left = (0, 0)
+    lattice11.pitch = (d, d)
+    lattice11.outer = pin
+    lattice11.universes = [[pin]]
+    box11 = openmc.model.RectangularPrism(d, d, origin=(d/2,d/2))
+    
+    
+    cell00 = openmc.Cell(fill=lattice00, region = -box00)
+    cell01 = openmc.Cell(fill=lattice01, region = -box01)
+    cell10 = openmc.Cell(fill=lattice10, region = -box10)
+    cell11 = openmc.Cell(fill=lattice11, region = -box11)
+    
+    univ = openmc.Universe(cells=[cell00, cell01, cell10, cell11])
+    
+    box = openmc.model.RectangularPrism(2*d, 2*d, boundary_type='reflective')
+
+    main_cell = openmc.Cell(fill=univ, region=-box)
+    model.geometry = openmc.Geometry([main_cell])
+    model.geometry.merge_surfaces = True
+   
+    model.settings.batches = 10
+    model.settings.inactive = 5
+    model.settings.particles = 1000
+    
+    return model
+
+@pytest.mark.parametrize("distribmat", [False, True])
+def test_lattice(model, distribmat):
+    with change_directory(str(distribmat)):
+        openmc.reset_auto_ids()
+        if distribmat:
+            model.differentiate_mats(depletable_only=False)
+        harness = PyAPITestHarness('statepoint.10.h5', model)
+        harness.main()

From 4fabed542da3d2e37eeba31872987e090b6ffc4b Mon Sep 17 00:00:00 2001
From: GuySten <62616591+GuySten@users.noreply.github.com>
Date: Fri, 8 Aug 2025 03:53:33 +0300
Subject: [PATCH 2367/2654] fixed a bug in MeshMaterialFilter.from_volumes
 (#3520)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/filter.py                             | 7 ++++++-
 tests/unit_tests/test_filter_meshmaterial.py | 3 ++-
 2 files changed, 8 insertions(+), 2 deletions(-)

diff --git a/openmc/filter.py b/openmc/filter.py
index f29c54085..53fec898f 100644
--- a/openmc/filter.py
+++ b/openmc/filter.py
@@ -1082,7 +1082,12 @@ class MeshMaterialFilter(MeshFilter):
             A new MeshMaterialFilter instance
 
         """
-        bins = list(zip(*np.where(volumes._materials > -1)))
+        # Get flat arrays of material IDs and element indices
+        mat_ids = volumes._materials[volumes._materials > -1]
+        elems, _ = np.where(volumes._materials > -1)
+
+        # Stack them into a 2D array of (element, material) pairs
+        bins = np.column_stack((elems, mat_ids))
         return cls(mesh, bins)
 
     def __hash__(self):
diff --git a/tests/unit_tests/test_filter_meshmaterial.py b/tests/unit_tests/test_filter_meshmaterial.py
index 120533209..a05ed5a12 100644
--- a/tests/unit_tests/test_filter_meshmaterial.py
+++ b/tests/unit_tests/test_filter_meshmaterial.py
@@ -9,6 +9,7 @@ def test_filter_mesh_material(run_in_tmpdir):
     materials = []
     for i in range(4):
         mat = openmc.Material()
+        mat.id = 10*(i+1)
         mat.add_nuclide('Fe56', 1.0)
         materials.append(mat)
 
@@ -35,7 +36,7 @@ def test_filter_mesh_material(run_in_tmpdir):
     # MeshMaterialFilter with corresponding bins
     vols = mesh.material_volumes(model)
     mmf = openmc.MeshMaterialFilter.from_volumes(mesh, vols)
-    expected_bins = [(0, 1), (1, 1), (1, 2), (2, 2), (2, 3), (3, 3), (3, 4), (4, 4)]
+    expected_bins = [(0, 10), (1, 10), (1, 20), (2, 20), (2, 30), (3, 40), (3, 30), (4, 40)]
     np.testing.assert_equal(mmf.bins, expected_bins)
 
     # Create two tallies, one with a mesh filter and one with mesh-material

From 4500f07b44daec71f38d0d9b73736e41f9d23815 Mon Sep 17 00:00:00 2001
From: GuySten <62616591+GuySten@users.noreply.github.com>
Date: Fri, 8 Aug 2025 12:59:22 +0300
Subject: [PATCH 2368/2654] Remove reorder_attributes from openmc._xml (#3519)

---
 openmc/_xml.py                                |   17 -
 openmc/data/library.py                        |    3 +-
 openmc/geometry.py                            |    1 -
 openmc/material.py                            |    4 +-
 openmc/plots.py                               |    4 +-
 openmc/settings.py                            |    3 +-
 openmc/tallies.py                             |    3 +-
 .../adj_cell_rotation/inputs_true.dat         |   32 +-
 .../asymmetric_lattice/inputs_true.dat        |   92 +-
 .../cpp_driver/inputs_true.dat                |   32 +-
 .../create_fission_neutrons/inputs_true.dat   |   26 +-
 .../dagmc/external/inputs_true.dat            |   16 +-
 .../dagmc/legacy/inputs_true.dat              |   16 +-
 .../dagmc/refl/inputs_true.dat                |    4 +-
 .../dagmc/universes/inputs_true.dat           |   50 +-
 .../dagmc/uwuw/inputs_true.dat                |    4 +-
 .../last_step_reference_materials.xml         | 2082 ++++++++---------
 .../diff_tally/inputs_true.dat                |  116 +-
 .../distribmat/inputs_true.dat                |   36 +-
 .../eigenvalue_genperbatch/inputs_true.dat    |   10 +-
 .../energy_cutoff/inputs_true.dat             |   22 +-
 .../energy_laws/inputs_true.dat               |   16 +-
 .../external_moab/inputs_true.dat             |   72 +-
 .../filter_cellfrom/inputs_true.dat           |   64 +-
 .../filter_cellinstance/inputs_true.dat       |   28 +-
 .../filter_energyfun/inputs_true.dat          |    8 +-
 .../filter_mesh/inputs_true.dat               |   30 +-
 .../filter_meshborn/inputs_true.dat           |    8 +-
 .../filter_musurface/inputs_true.dat          |   14 +-
 .../filter_translations/inputs_true.dat       |   34 +-
 .../fixed_source/inputs_true.dat              |   12 +-
 tests/regression_tests/ifp/inputs_true.dat    |   10 +-
 .../iso_in_lab/inputs_true.dat                |  106 +-
 .../lattice_distribmat/False/inputs_true.dat  |   46 +-
 .../lattice_distribmat/True/inputs_true.dat   |   88 +-
 .../lattice_hex_coincident/inputs_true.dat    |   70 +-
 .../lattice_hex_x/inputs_true.dat             |   70 +-
 .../lattice_multiple/inputs_true.dat          |   30 +-
 .../lattice_rotated/inputs_true.dat           |   34 +-
 .../regression_tests/mg_basic/inputs_true.dat |   30 +-
 .../mg_basic_delayed/inputs_true.dat          |   28 +-
 .../mg_convert/inputs_true.dat                |   14 +-
 .../mg_legendre/inputs_true.dat               |    8 +-
 .../mg_max_order/inputs_true.dat              |    8 +-
 .../mg_survival_biasing/inputs_true.dat       |    8 +-
 .../mg_tallies/inputs_true.dat                |    8 +-
 .../mg_temperature_multi/inputs_true.dat      |   24 +-
 .../mgxs_library_ce_to_mg/inputs_true.dat     |   54 +-
 .../inputs_true.dat                           |   54 +-
 .../mgxs_library_condense/inputs_true.dat     |   54 +-
 .../mgxs_library_correction/inputs_true.dat   |   54 +-
 .../mgxs_library_distribcell/inputs_true.dat  |   62 +-
 .../mgxs_library_hdf5/inputs_true.dat         |   54 +-
 .../mgxs_library_histogram/inputs_true.dat    |   54 +-
 .../mgxs_library_mesh/inputs_true.dat         |   30 +-
 .../mgxs_library_no_nuclides/inputs_true.dat  |   54 +-
 .../mgxs_library_nuclides/inputs_true.dat     |   54 +-
 .../inputs_true.dat                           |   54 +-
 .../adj_cell_rotation_inputs_true.dat         |   32 +-
 .../model_xml/energy_laws_inputs_true.dat     |   16 +-
 .../lattice_multiple_inputs_true.dat          |   30 +-
 .../photon_production_inputs_true.dat         |   16 +-
 .../multipole/inputs_true.dat                 |   26 +-
 .../regression_tests/ncrystal/inputs_true.dat |   14 +-
 .../regression_tests/periodic/inputs_true.dat |   28 +-
 .../periodic_6fold/inputs_true.dat            |   22 +-
 .../periodic_hex/inputs_true.dat              |   18 +-
 .../photon_production/inputs_true.dat         |   16 +-
 .../photon_production_fission/inputs_true.dat |   10 +-
 .../photon_source/inputs_true.dat             |   14 +-
 .../pulse_height/inputs_true.dat              |   16 +-
 .../inputs_true.dat                           |   32 +-
 .../random_ray_adjoint_k_eff/inputs_true.dat  |   74 +-
 .../infinite_medium/inputs_true.dat           |   30 +-
 .../material_wise/inputs_true.dat             |   30 +-
 .../stochastic_slab/inputs_true.dat           |   30 +-
 .../inputs_true.dat                           |   30 +-
 .../cell/inputs_true.dat                      |   32 +-
 .../material/inputs_true.dat                  |   32 +-
 .../universe/inputs_true.dat                  |   32 +-
 .../linear/inputs_true.dat                    |   32 +-
 .../linear_xy/inputs_true.dat                 |   32 +-
 .../flat/inputs_true.dat                      |   32 +-
 .../linear/inputs_true.dat                    |   32 +-
 .../False/inputs_true.dat                     |   32 +-
 .../True/inputs_true.dat                      |   32 +-
 .../flat/inputs_true.dat                      |   80 +-
 .../linear_xy/inputs_true.dat                 |   80 +-
 .../random_ray_halton_samples/inputs_true.dat |   74 +-
 .../random_ray_k_eff/inputs_true.dat          |   74 +-
 .../random_ray_k_eff_mesh/inputs_true.dat     |   74 +-
 .../random_ray_linear/linear/inputs_true.dat  |   74 +-
 .../linear_xy/inputs_true.dat                 |   74 +-
 .../inputs_true.dat                           |   32 +-
 .../random_ray_void/flat/inputs_true.dat      |   32 +-
 .../random_ray_void/linear/inputs_true.dat    |   32 +-
 .../hybrid/inputs_true.dat                    |   32 +-
 .../naive/inputs_true.dat                     |   32 +-
 .../simulation_averaged/inputs_true.dat       |   32 +-
 .../hybrid/inputs_true.dat                    |   32 +-
 .../naive/inputs_true.dat                     |   32 +-
 .../simulation_averaged/inputs_true.dat       |   32 +-
 .../resonance_scattering/inputs_true.dat      |   16 +-
 .../salphabeta/inputs_true.dat                |   60 +-
 .../score_current/inputs_true.dat             |   30 +-
 tests/regression_tests/source/inputs_true.dat |  102 +-
 .../source_dlopen/inputs_true.dat             |   14 +-
 .../inputs_true.dat                           |   14 +-
 tests/regression_tests/stride/inputs_true.dat |   10 +-
 .../surface_source/inputs_true_read_h5.dat    |    8 +-
 .../surface_source/inputs_true_read_mcpl.dat  |    8 +-
 .../surface_source/inputs_true_write_h5.dat   |   10 +-
 .../surface_source/inputs_true_write_mcpl.dat |   10 +-
 .../case-01/inputs_true.dat                   |   54 +-
 .../case-02/inputs_true.dat                   |   54 +-
 .../case-03/inputs_true.dat                   |   54 +-
 .../case-04/inputs_true.dat                   |   54 +-
 .../case-05/inputs_true.dat                   |   54 +-
 .../case-06/inputs_true.dat                   |   54 +-
 .../case-07/inputs_true.dat                   |   54 +-
 .../case-08/inputs_true.dat                   |   54 +-
 .../case-09/inputs_true.dat                   |   54 +-
 .../case-10/inputs_true.dat                   |   54 +-
 .../case-11/inputs_true.dat                   |   54 +-
 .../case-12/inputs_true.dat                   |   42 +-
 .../case-13/inputs_true.dat                   |   42 +-
 .../case-14/inputs_true.dat                   |   42 +-
 .../case-15/inputs_true.dat                   |   42 +-
 .../case-16/inputs_true.dat                   |   42 +-
 .../case-17/inputs_true.dat                   |   42 +-
 .../case-18/inputs_true.dat                   |   42 +-
 .../case-19/inputs_true.dat                   |   42 +-
 .../case-20/inputs_true.dat                   |   42 +-
 .../case-21/inputs_true.dat                   |   42 +-
 .../case-a01/inputs_true.dat                  |   54 +-
 .../case-d01/inputs_true.dat                  |   16 +-
 .../case-d02/inputs_true.dat                  |   16 +-
 .../case-d03/inputs_true.dat                  |   16 +-
 .../case-d04/inputs_true.dat                  |   16 +-
 .../case-d05/inputs_true.dat                  |   16 +-
 .../case-d06/inputs_true.dat                  |   16 +-
 .../case-d07/inputs_true.dat                  |   42 +-
 .../case-d08/inputs_true.dat                  |   42 +-
 .../case-e01/inputs_true.dat                  |   54 +-
 .../case-e02/inputs_true.dat                  |   54 +-
 .../case-e03/inputs_true.dat                  |   42 +-
 .../surface_tally/inputs_true.dat             |   36 +-
 .../regression_tests/tallies/inputs_true.dat  |  108 +-
 .../tally_aggregation/inputs_true.dat         |   30 +-
 .../tally_arithmetic/inputs_true.dat          |   20 +-
 .../tally_slice_merge/inputs_true.dat         |  106 +-
 .../time_cutoff/inputs_true.dat               |    4 +-
 tests/regression_tests/torus/inputs_true.dat  |   28 +-
 .../torus/large_major/inputs_true.dat         |   16 +-
 .../inputs_true.dat                           |    8 +-
 tests/regression_tests/triso/inputs_true.dat  |  718 +++---
 .../unstructured_mesh/inputs_true.dat         |   74 +-
 .../unstructured_mesh/inputs_true0.dat        |   74 +-
 .../unstructured_mesh/inputs_true1.dat        |   74 +-
 .../unstructured_mesh/inputs_true10.dat       |   74 +-
 .../unstructured_mesh/inputs_true11.dat       |   74 +-
 .../unstructured_mesh/inputs_true12.dat       |   74 +-
 .../unstructured_mesh/inputs_true13.dat       |   74 +-
 .../unstructured_mesh/inputs_true14.dat       |   74 +-
 .../unstructured_mesh/inputs_true15.dat       |   74 +-
 .../unstructured_mesh/inputs_true2.dat        |   74 +-
 .../unstructured_mesh/inputs_true3.dat        |   74 +-
 .../unstructured_mesh/inputs_true4.dat        |  101 +-
 .../unstructured_mesh/inputs_true5.dat        |  101 +-
 .../unstructured_mesh/inputs_true6.dat        |  101 +-
 .../unstructured_mesh/inputs_true7.dat        |  101 +-
 .../unstructured_mesh/inputs_true8.dat        |   74 +-
 .../unstructured_mesh/inputs_true9.dat        |   74 +-
 tests/regression_tests/void/inputs_true.dat   |  106 +-
 .../volume_calc/inputs_true.dat               |   32 +-
 .../volume_calc/inputs_true_mg.dat            |   32 +-
 .../weightwindows/inputs_true.dat             |   46 +-
 .../weightwindows_fw_cadis/inputs_true.dat    |   32 +-
 .../flat/inputs_true.dat                      |   32 +-
 .../linear/inputs_true.dat                    |   32 +-
 180 files changed, 5006 insertions(+), 5035 deletions(-)

diff --git a/openmc/_xml.py b/openmc/_xml.py
index 17389a82f..05412128d 100644
--- a/openmc/_xml.py
+++ b/openmc/_xml.py
@@ -63,23 +63,6 @@ def get_text(elem, name, default=None):
         return child.text if child is not None else default
 
 
-def reorder_attributes(root):
-    """Sort attributes in XML to preserve pre-Python 3.8 behavior
-
-    Parameters
-    ----------
-    root : lxml.etree._Element
-        Root element
-
-    """
-    for el in root.iter():
-        attrib = el.attrib
-        if len(attrib) > 1:
-            # adjust attribute order, e.g. by sorting
-            attribs = sorted(attrib.items())
-            attrib.clear()
-            attrib.update(attribs)
-
 
 def get_elem_tuple(elem, name, dtype=int):
     """Helper function to get a tuple of values from an elem
diff --git a/openmc/data/library.py b/openmc/data/library.py
index a6ce1bbd3..bec538c06 100644
--- a/openmc/data/library.py
+++ b/openmc/data/library.py
@@ -5,7 +5,7 @@ import h5py
 import lxml.etree as ET
 
 import openmc
-from openmc._xml import clean_indentation, reorder_attributes
+from openmc._xml import clean_indentation
 
 
 class DataLibrary(list):
@@ -132,7 +132,6 @@ class DataLibrary(list):
         clean_indentation(root)
 
         # Write XML file
-        reorder_attributes(root)  # TODO: Remove when support is Python 3.8+
         tree = ET.ElementTree(root)
         tree.write(str(path), xml_declaration=True, encoding='utf-8',
                    method='xml')
diff --git a/openmc/geometry.py b/openmc/geometry.py
index f56b9b6fe..8496fb23a 100644
--- a/openmc/geometry.py
+++ b/openmc/geometry.py
@@ -140,7 +140,6 @@ class Geometry:
 
         # Clean the indentation in the file to be user-readable
         xml.clean_indentation(element)
-        xml.reorder_attributes(element)  # TODO: Remove when support is Python 3.8+
 
         return element
 
diff --git a/openmc/material.py b/openmc/material.py
index cec74af62..db67b709c 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -17,7 +17,7 @@ import h5py
 import openmc
 import openmc.data
 import openmc.checkvalue as cv
-from ._xml import clean_indentation, reorder_attributes
+from ._xml import clean_indentation
 from .mixin import IDManagerMixin
 from .utility_funcs import input_path
 from . import waste
@@ -1919,7 +1919,6 @@ class Materials(cv.CheckedList):
             clean_indentation(element, level=level+1)
             element.tail = element.tail.strip(' ')
             file.write((level+1)*spaces_per_level*' ')
-            reorder_attributes(element)  # TODO: Remove when support is Python 3.8+
             file.write(ET.tostring(element, encoding="unicode"))
 
         # Write the <material> elements.
@@ -1928,7 +1927,6 @@ class Materials(cv.CheckedList):
             clean_indentation(element, level=level+1)
             element.tail = element.tail.strip(' ')
             file.write((level+1)*spaces_per_level*' ')
-            reorder_attributes(element)  # TODO: Remove when support is Python 3.8+
             file.write(ET.tostring(element, encoding="unicode"))
 
         # Write the closing tag for the root element.
diff --git a/openmc/plots.py b/openmc/plots.py
index 9e097e2b9..34dde84e4 100644
--- a/openmc/plots.py
+++ b/openmc/plots.py
@@ -10,7 +10,7 @@ import openmc
 import openmc.checkvalue as cv
 from openmc.checkvalue import PathLike
 
-from ._xml import clean_indentation, get_elem_tuple, reorder_attributes, get_text
+from ._xml import clean_indentation, get_elem_tuple, get_text
 from .mixin import IDManagerMixin
 
 _BASES = {'xy', 'xz', 'yz'}
@@ -1857,8 +1857,6 @@ class Plots(cv.CheckedList):
 
         # Clean the indentation in the file to be user-readable
         clean_indentation(self._plots_file)
-        # TODO: Remove when support is Python 3.8+
-        reorder_attributes(self._plots_file)
 
         return self._plots_file
 
diff --git a/openmc/settings.py b/openmc/settings.py
index 36eaec6cb..327faf544 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -11,7 +11,7 @@ import openmc
 import openmc.checkvalue as cv
 from openmc.checkvalue import PathLike
 from openmc.stats.multivariate import MeshSpatial
-from ._xml import clean_indentation, get_text, reorder_attributes
+from ._xml import clean_indentation, get_text
 from .mesh import _read_meshes, RegularMesh, MeshBase
 from .source import SourceBase, MeshSource, IndependentSource
 from .utility_funcs import input_path
@@ -2201,7 +2201,6 @@ class Settings:
 
         # Clean the indentation in the file to be user-readable
         clean_indentation(element)
-        reorder_attributes(element)  # TODO: Remove when support is Python 3.8+
 
         return element
 
diff --git a/openmc/tallies.py b/openmc/tallies.py
index 06de0205c..3a5b42519 100644
--- a/openmc/tallies.py
+++ b/openmc/tallies.py
@@ -15,7 +15,7 @@ import scipy.sparse as sps
 
 import openmc
 import openmc.checkvalue as cv
-from ._xml import clean_indentation, reorder_attributes, get_text
+from ._xml import clean_indentation, get_text
 from .mixin import IDManagerMixin
 from .mesh import MeshBase
 
@@ -3329,7 +3329,6 @@ class Tallies(cv.CheckedList):
 
         # Clean the indentation in the file to be user-readable
         clean_indentation(element)
-        reorder_attributes(element)  # TODO: Remove when support is Python 3.8+
 
         return element
 
diff --git a/tests/regression_tests/adj_cell_rotation/inputs_true.dat b/tests/regression_tests/adj_cell_rotation/inputs_true.dat
index 7e2a0cf62..18c0552ce 100644
--- a/tests/regression_tests/adj_cell_rotation/inputs_true.dat
+++ b/tests/regression_tests/adj_cell_rotation/inputs_true.dat
@@ -1,35 +1,35 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1">
-      <density units="g/cc" value="10.0"/>
-      <nuclide ao="1.0" name="U235"/>
+    <material id="1" depletable="true">
+      <density value="10.0" units="g/cc"/>
+      <nuclide name="U235" ao="1.0"/>
     </material>
     <material id="2">
-      <density units="g/cc" value="0.1"/>
-      <nuclide ao="0.1" name="H1"/>
+      <density value="0.1" units="g/cc"/>
+      <nuclide name="H1" ao="0.1"/>
     </material>
   </materials>
   <geometry>
     <cell id="1" material="1" region="-1" universe="1"/>
     <cell id="2" material="2" region="1" universe="1"/>
-    <cell fill="1" id="3" region="2 -3 4 -5 6 -8" rotation="10 20 30" universe="2"/>
-    <cell fill="1" id="4" region="2 -3 4 -5 8 -7" translation="0 0 15" universe="2"/>
-    <surface coeffs="1.0 0.0 0.0 5.0" id="1" type="sphere"/>
-    <surface boundary="vacuum" coeffs="-7.5" id="2" name="minimum x" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="7.5" id="3" name="maximum x" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="-7.5" id="4" name="minimum y" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="7.5" id="5" name="maximum y" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="-7.5" id="6" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="22.5" id="7" type="z-plane"/>
-    <surface coeffs="7.5" id="8" type="z-plane"/>
+    <cell id="3" fill="1" region="2 -3 4 -5 6 -8" rotation="10 20 30" universe="2"/>
+    <cell id="4" fill="1" region="2 -3 4 -5 8 -7" translation="0 0 15" universe="2"/>
+    <surface id="1" type="sphere" coeffs="1.0 0.0 0.0 5.0"/>
+    <surface id="2" name="minimum x" type="x-plane" boundary="vacuum" coeffs="-7.5"/>
+    <surface id="3" name="maximum x" type="x-plane" boundary="vacuum" coeffs="7.5"/>
+    <surface id="4" name="minimum y" type="y-plane" boundary="vacuum" coeffs="-7.5"/>
+    <surface id="5" name="maximum y" type="y-plane" boundary="vacuum" coeffs="7.5"/>
+    <surface id="6" type="z-plane" boundary="vacuum" coeffs="-7.5"/>
+    <surface id="7" type="z-plane" boundary="vacuum" coeffs="22.5"/>
+    <surface id="8" type="z-plane" coeffs="7.5"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
     <particles>10000</particles>
     <batches>10</batches>
     <inactive>5</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>-4.0 -4.0 -4.0 4.0 4.0 4.0</parameters>
       </space>
diff --git a/tests/regression_tests/asymmetric_lattice/inputs_true.dat b/tests/regression_tests/asymmetric_lattice/inputs_true.dat
index 302ef24c2..ee3d68907 100644
--- a/tests/regression_tests/asymmetric_lattice/inputs_true.dat
+++ b/tests/regression_tests/asymmetric_lattice/inputs_true.dat
@@ -1,40 +1,40 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1" name="UOX fuel">
-      <density units="g/cm3" value="10.062"/>
-      <nuclide ao="4.9476e-06" name="U234"/>
-      <nuclide ao="0.00048218" name="U235"/>
-      <nuclide ao="0.021504" name="U238"/>
-      <nuclide ao="1.0801e-08" name="Xe135"/>
-      <nuclide ao="0.045737" name="O16"/>
+    <material id="1" name="UOX fuel" depletable="true">
+      <density value="10.062" units="g/cm3"/>
+      <nuclide name="U234" ao="4.9476e-06"/>
+      <nuclide name="U235" ao="0.00048218"/>
+      <nuclide name="U238" ao="0.021504"/>
+      <nuclide name="Xe135" ao="1.0801e-08"/>
+      <nuclide name="O16" ao="0.045737"/>
     </material>
     <material id="2" name="Zircaloy">
-      <density units="g/cm3" value="5.77"/>
-      <nuclide ao="0.5145" name="Zr90"/>
-      <nuclide ao="0.1122" name="Zr91"/>
-      <nuclide ao="0.1715" name="Zr92"/>
-      <nuclide ao="0.1738" name="Zr94"/>
-      <nuclide ao="0.028" name="Zr96"/>
+      <density value="5.77" units="g/cm3"/>
+      <nuclide name="Zr90" ao="0.5145"/>
+      <nuclide name="Zr91" ao="0.1122"/>
+      <nuclide name="Zr92" ao="0.1715"/>
+      <nuclide name="Zr94" ao="0.1738"/>
+      <nuclide name="Zr96" ao="0.028"/>
     </material>
     <material id="3" name="Cold borated water">
-      <density units="atom/b-cm" value="0.07416"/>
-      <nuclide ao="2.0" name="H1"/>
-      <nuclide ao="1.0" name="O16"/>
-      <nuclide ao="0.000649" name="B10"/>
-      <nuclide ao="0.002689" name="B11"/>
+      <density value="0.07416" units="atom/b-cm"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
+      <nuclide name="B10" ao="0.000649"/>
+      <nuclide name="B11" ao="0.002689"/>
       <sab name="c_H_in_H2O"/>
     </material>
     <material id="4" name="Hot borated water">
-      <density units="atom/b-cm" value="0.06614"/>
-      <nuclide ao="2.0" name="H1"/>
-      <nuclide ao="1.0" name="O16"/>
-      <nuclide ao="0.000649" name="B10"/>
-      <nuclide ao="0.002689" name="B11"/>
+      <density value="0.06614" units="atom/b-cm"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
+      <nuclide name="B10" ao="0.000649"/>
+      <nuclide name="B11" ao="0.002689"/>
       <sab name="c_H_in_H2O"/>
     </material>
     <material id="5" name="Reactor pressure vessel steel">
-      <density units="g/cm3" value="7.9"/>
+      <density value="7.9" units="g/cm3"/>
       <nuclide name="Fe54" wo="0.05437098"/>
       <nuclide name="Fe56" wo="0.88500663"/>
       <nuclide name="Fe57" wo="0.0208008"/>
@@ -47,7 +47,7 @@
       <nuclide name="Cu63" wo="0.0013696"/>
     </material>
     <material id="6" name="Lower radial reflector">
-      <density units="g/cm3" value="4.32"/>
+      <density value="4.32" units="g/cm3"/>
       <nuclide name="H1" wo="0.0095661"/>
       <nuclide name="O16" wo="0.0759107"/>
       <nuclide name="B10" wo="3.08409e-05"/>
@@ -62,7 +62,7 @@
       <sab name="c_H_in_H2O"/>
     </material>
     <material id="7" name="Upper radial reflector / Top plate region">
-      <density units="g/cm3" value="4.28"/>
+      <density value="4.28" units="g/cm3"/>
       <nuclide name="H1" wo="0.0086117"/>
       <nuclide name="O16" wo="0.0683369"/>
       <nuclide name="B10" wo="2.77638e-05"/>
@@ -77,7 +77,7 @@
       <sab name="c_H_in_H2O"/>
     </material>
     <material id="8" name="Bottom plate region">
-      <density units="g/cm3" value="7.184"/>
+      <density value="7.184" units="g/cm3"/>
       <nuclide name="H1" wo="0.0011505"/>
       <nuclide name="O16" wo="0.0091296"/>
       <nuclide name="B10" wo="3.70915e-06"/>
@@ -92,7 +92,7 @@
       <sab name="c_H_in_H2O"/>
     </material>
     <material id="9" name="Bottom nozzle region">
-      <density units="g/cm3" value="2.53"/>
+      <density value="2.53" units="g/cm3"/>
       <nuclide name="H1" wo="0.0245014"/>
       <nuclide name="O16" wo="0.1944274"/>
       <nuclide name="B10" wo="7.89917e-05"/>
@@ -107,7 +107,7 @@
       <sab name="c_H_in_H2O"/>
     </material>
     <material id="10" name="Top nozzle region">
-      <density units="g/cm3" value="1.746"/>
+      <density value="1.746" units="g/cm3"/>
       <nuclide name="H1" wo="0.035887"/>
       <nuclide name="O16" wo="0.2847761"/>
       <nuclide name="B10" wo="0.000115699"/>
@@ -122,7 +122,7 @@
       <sab name="c_H_in_H2O"/>
     </material>
     <material id="11" name="Top of fuel assemblies">
-      <density units="g/cm3" value="3.044"/>
+      <density value="3.044" units="g/cm3"/>
       <nuclide name="H1" wo="0.0162913"/>
       <nuclide name="O16" wo="0.1292776"/>
       <nuclide name="B10" wo="5.25228e-05"/>
@@ -135,7 +135,7 @@
       <sab name="c_H_in_H2O"/>
     </material>
     <material id="12" name="Bottom of fuel assemblies">
-      <density units="g/cm3" value="1.762"/>
+      <density value="1.762" units="g/cm3"/>
       <nuclide name="H1" wo="0.0292856"/>
       <nuclide name="O16" wo="0.2323919"/>
       <nuclide name="B10" wo="9.44159e-05"/>
@@ -149,7 +149,7 @@
     </material>
   </materials>
   <geometry>
-    <cell fill="202" id="1" region="9 -10 11 -12 13 -14" universe="0"/>
+    <cell id="1" fill="202" region="9 -10 11 -12 13 -14" universe="0"/>
     <cell id="27" material="1" region="-1" universe="3"/>
     <cell id="28" material="2" region="1 -2" universe="3"/>
     <cell id="29" material="4" region="2" universe="3"/>
@@ -157,7 +157,7 @@
     <cell id="31" material="2" region="3 -4" universe="4"/>
     <cell id="32" material="4" region="4" universe="4"/>
     <cell id="70" material="4" region="35 -36" universe="7"/>
-    <cell fill="101" id="80" region="35 -36" universe="8"/>
+    <cell id="80" fill="101" region="35 -36" universe="8"/>
     <lattice id="101" name="Fuel assembly (upper half)">
       <pitch>1.26 1.26</pitch>
       <dimension>17 17</dimension>
@@ -190,25 +190,25 @@
 8 8 8 
 7 7 7 </universes>
     </lattice>
-    <surface coeffs="0.0 0.0 0.41" id="1" type="z-cylinder"/>
-    <surface coeffs="0.0 0.0 0.475" id="2" type="z-cylinder"/>
-    <surface coeffs="0.0 0.0 0.56" id="3" type="z-cylinder"/>
-    <surface coeffs="0.0 0.0 0.62" id="4" type="z-cylinder"/>
-    <surface boundary="reflective" coeffs="-32.13" id="9" type="x-plane"/>
-    <surface boundary="reflective" coeffs="32.13" id="10" type="x-plane"/>
-    <surface boundary="reflective" coeffs="-32.13" id="11" type="y-plane"/>
-    <surface boundary="reflective" coeffs="32.13" id="12" type="y-plane"/>
-    <surface boundary="reflective" coeffs="0" id="13" type="z-plane"/>
-    <surface boundary="reflective" coeffs="32.13" id="14" type="z-plane"/>
-    <surface coeffs="0.0" id="35" type="z-plane"/>
-    <surface coeffs="183.0" id="36" type="z-plane"/>
+    <surface id="1" type="z-cylinder" coeffs="0.0 0.0 0.41"/>
+    <surface id="2" type="z-cylinder" coeffs="0.0 0.0 0.475"/>
+    <surface id="3" type="z-cylinder" coeffs="0.0 0.0 0.56"/>
+    <surface id="4" type="z-cylinder" coeffs="0.0 0.0 0.62"/>
+    <surface id="9" type="x-plane" boundary="reflective" coeffs="-32.13"/>
+    <surface id="10" type="x-plane" boundary="reflective" coeffs="32.13"/>
+    <surface id="11" type="y-plane" boundary="reflective" coeffs="-32.13"/>
+    <surface id="12" type="y-plane" boundary="reflective" coeffs="32.13"/>
+    <surface id="13" type="z-plane" boundary="reflective" coeffs="0"/>
+    <surface id="14" type="z-plane" boundary="reflective" coeffs="32.13"/>
+    <surface id="35" type="z-plane" coeffs="0.0"/>
+    <surface id="36" type="z-plane" coeffs="183.0"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
     <particles>100</particles>
     <batches>10</batches>
     <inactive>5</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>-32 -32 0 32 32 32</parameters>
       </space>
diff --git a/tests/regression_tests/cpp_driver/inputs_true.dat b/tests/regression_tests/cpp_driver/inputs_true.dat
index 5d067cb68..fd450428a 100644
--- a/tests/regression_tests/cpp_driver/inputs_true.dat
+++ b/tests/regression_tests/cpp_driver/inputs_true.dat
@@ -1,26 +1,26 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1" name="fuel">
-      <density units="g/cc" value="11"/>
-      <nuclide ao="1.0" name="U235"/>
+    <material id="1" name="fuel" depletable="true">
+      <density value="11" units="g/cc"/>
+      <nuclide name="U235" ao="1.0"/>
     </material>
     <material id="2" name="cladding">
-      <density units="g/cc" value="6.44"/>
-      <nuclide ao="1.0" name="Zr90"/>
+      <density value="6.44" units="g/cc"/>
+      <nuclide name="Zr90" ao="1.0"/>
     </material>
     <material id="3" name="water">
-      <density units="g/cc" value="1.0"/>
-      <nuclide ao="2.0" name="H1"/>
-      <nuclide ao="1.0" name="O16"/>
+      <density value="1.0" units="g/cc"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
     </material>
   </materials>
   <geometry>
     <cell id="1" material="1" region="-1" universe="1"/>
     <cell id="2" material="2" region="1 -2" universe="1"/>
     <cell id="3" material="3" region="2" universe="1"/>
-    <cell fill="1" id="4" universe="2"/>
-    <cell fill="3" id="5" region="3 -4 5 -6" universe="4"/>
+    <cell id="4" fill="1" universe="2"/>
+    <cell id="5" fill="3" region="3 -4 5 -6" universe="4"/>
     <lattice id="3">
       <pitch>4.0 4.0</pitch>
       <dimension>2 2</dimension>
@@ -29,12 +29,12 @@
 2 2 
 2 2 </universes>
     </lattice>
-    <surface coeffs="0.0 0.0 1.5" id="1" type="z-cylinder"/>
-    <surface coeffs="0.0 0.0 1.7" id="2" type="z-cylinder"/>
-    <surface boundary="reflective" coeffs="-4.0" id="3" name="minimum x" type="x-plane"/>
-    <surface boundary="reflective" coeffs="4.0" id="4" name="maximum x" type="x-plane"/>
-    <surface boundary="reflective" coeffs="-4.0" id="5" name="minimum y" type="y-plane"/>
-    <surface boundary="reflective" coeffs="4.0" id="6" name="maximum y" type="y-plane"/>
+    <surface id="1" type="z-cylinder" coeffs="0.0 0.0 1.5"/>
+    <surface id="2" type="z-cylinder" coeffs="0.0 0.0 1.7"/>
+    <surface id="3" name="minimum x" type="x-plane" boundary="reflective" coeffs="-4.0"/>
+    <surface id="4" name="maximum x" type="x-plane" boundary="reflective" coeffs="4.0"/>
+    <surface id="5" name="minimum y" type="y-plane" boundary="reflective" coeffs="-4.0"/>
+    <surface id="6" name="maximum y" type="y-plane" boundary="reflective" coeffs="4.0"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
diff --git a/tests/regression_tests/create_fission_neutrons/inputs_true.dat b/tests/regression_tests/create_fission_neutrons/inputs_true.dat
index 9e44a0224..47e8c3830 100644
--- a/tests/regression_tests/create_fission_neutrons/inputs_true.dat
+++ b/tests/regression_tests/create_fission_neutrons/inputs_true.dat
@@ -1,30 +1,30 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1" name="mat">
-      <density units="atom/b-cm" value="0.069335"/>
-      <nuclide ao="40.0" name="H1"/>
-      <nuclide ao="1.0" name="U235"/>
+    <material id="1" name="mat" depletable="true">
+      <density value="0.069335" units="atom/b-cm"/>
+      <nuclide name="H1" ao="40.0"/>
+      <nuclide name="U235" ao="1.0"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="box" region="1 -2 3 -4 5 -6" universe="0"/>
-    <surface boundary="reflective" coeffs="-1" id="1" type="x-plane"/>
-    <surface boundary="reflective" coeffs="1" id="2" type="x-plane"/>
-    <surface boundary="reflective" coeffs="-1" id="3" type="y-plane"/>
-    <surface boundary="reflective" coeffs="1" id="4" type="y-plane"/>
-    <surface boundary="reflective" coeffs="-1" id="5" type="z-plane"/>
-    <surface boundary="reflective" coeffs="1" id="6" type="z-plane"/>
+    <cell id="1" name="box" material="1" region="1 -2 3 -4 5 -6" universe="0"/>
+    <surface id="1" type="x-plane" boundary="reflective" coeffs="-1"/>
+    <surface id="2" type="x-plane" boundary="reflective" coeffs="1"/>
+    <surface id="3" type="y-plane" boundary="reflective" coeffs="-1"/>
+    <surface id="4" type="y-plane" boundary="reflective" coeffs="1"/>
+    <surface id="5" type="z-plane" boundary="reflective" coeffs="-1"/>
+    <surface id="6" type="z-plane" boundary="reflective" coeffs="1"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
     <particles>100</particles>
     <batches>10</batches>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>-1 -1 -1 1 1 1</parameters>
       </space>
-      <energy parameters="988000.0 2.249e-06" type="watt"/>
+      <energy type="watt" parameters="988000.0 2.249e-06"/>
     </source>
     <create_fission_neutrons>false</create_fission_neutrons>
   </settings>
diff --git a/tests/regression_tests/dagmc/external/inputs_true.dat b/tests/regression_tests/dagmc/external/inputs_true.dat
index 31f4c1f88..8a6c6fe74 100644
--- a/tests/regression_tests/dagmc/external/inputs_true.dat
+++ b/tests/regression_tests/dagmc/external/inputs_true.dat
@@ -1,26 +1,26 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="40" name="no-void fuel">
-      <density units="g/cc" value="11"/>
-      <nuclide ao="1.0" name="U235"/>
+    <material id="40" name="no-void fuel" depletable="true">
+      <density value="11" units="g/cc"/>
+      <nuclide name="U235" ao="1.0"/>
     </material>
     <material id="41" name="water">
-      <density units="g/cc" value="1.0"/>
-      <nuclide ao="2.0" name="H1"/>
-      <nuclide ao="1.0" name="O16"/>
+      <density value="1.0" units="g/cc"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
       <sab name="c_H_in_H2O"/>
     </material>
   </materials>
   <geometry>
-    <dagmc_universe filename="dagmc.h5m" id="1"/>
+    <dagmc_universe id="1" filename="dagmc.h5m"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
     <particles>100</particles>
     <batches>5</batches>
     <inactive>0</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>-4 -4 -4 4 4 4</parameters>
       </space>
diff --git a/tests/regression_tests/dagmc/legacy/inputs_true.dat b/tests/regression_tests/dagmc/legacy/inputs_true.dat
index b06516cb1..ad2f8e54d 100644
--- a/tests/regression_tests/dagmc/legacy/inputs_true.dat
+++ b/tests/regression_tests/dagmc/legacy/inputs_true.dat
@@ -1,26 +1,26 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="40" name="no-void fuel">
-      <density units="g/cc" value="11"/>
-      <nuclide ao="1.0" name="U235"/>
+    <material id="40" name="no-void fuel" depletable="true">
+      <density value="11" units="g/cc"/>
+      <nuclide name="U235" ao="1.0"/>
     </material>
     <material id="41" name="water">
-      <density units="g/cc" value="1.0"/>
-      <nuclide ao="2.0" name="H1"/>
-      <nuclide ao="1.0" name="O16"/>
+      <density value="1.0" units="g/cc"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
       <sab name="c_H_in_H2O"/>
     </material>
   </materials>
   <geometry>
-    <dagmc_universe filename="dagmc.h5m" id="1"/>
+    <dagmc_universe id="1" filename="dagmc.h5m"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
     <particles>100</particles>
     <batches>5</batches>
     <inactive>0</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>-4 -4 -4 4 4 4</parameters>
       </space>
diff --git a/tests/regression_tests/dagmc/refl/inputs_true.dat b/tests/regression_tests/dagmc/refl/inputs_true.dat
index 979eeb492..58cb9e66f 100644
--- a/tests/regression_tests/dagmc/refl/inputs_true.dat
+++ b/tests/regression_tests/dagmc/refl/inputs_true.dat
@@ -3,14 +3,14 @@
   <materials>
   </materials>
   <geometry>
-    <dagmc_universe auto_geom_ids="true" filename="dagmc.h5m" id="1"/>
+    <dagmc_universe id="1" auto_geom_ids="true" filename="dagmc.h5m"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
     <particles>100</particles>
     <batches>5</batches>
     <inactive>0</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>-4 -4 -4 4 4 4</parameters>
       </space>
diff --git a/tests/regression_tests/dagmc/universes/inputs_true.dat b/tests/regression_tests/dagmc/universes/inputs_true.dat
index 4b5be3612..2fa79d831 100644
--- a/tests/regression_tests/dagmc/universes/inputs_true.dat
+++ b/tests/regression_tests/dagmc/universes/inputs_true.dat
@@ -1,33 +1,33 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1" name="no-void fuel">
-      <density units="g/cc" value="10.29769"/>
-      <nuclide ao="0.93120485" name="U234"/>
-      <nuclide ao="0.00055815" name="U235"/>
-      <nuclide ao="0.022408" name="U238"/>
-      <nuclide ao="0.045829" name="O16"/>
+    <material id="1" name="no-void fuel" depletable="true">
+      <density value="10.29769" units="g/cc"/>
+      <nuclide name="U234" ao="0.93120485"/>
+      <nuclide name="U235" ao="0.00055815"/>
+      <nuclide name="U238" ao="0.022408"/>
+      <nuclide name="O16" ao="0.045829"/>
     </material>
     <material id="2" name="clad">
-      <density units="g/cc" value="6.55"/>
-      <nuclide ao="0.021827" name="Zr90"/>
-      <nuclide ao="0.00476" name="Zr91"/>
-      <nuclide ao="0.0072758" name="Zr92"/>
-      <nuclide ao="0.0073734" name="Zr94"/>
-      <nuclide ao="0.0011879" name="Zr96"/>
+      <density value="6.55" units="g/cc"/>
+      <nuclide name="Zr90" ao="0.021827"/>
+      <nuclide name="Zr91" ao="0.00476"/>
+      <nuclide name="Zr92" ao="0.0072758"/>
+      <nuclide name="Zr94" ao="0.0073734"/>
+      <nuclide name="Zr96" ao="0.0011879"/>
     </material>
     <material id="3" name="water">
-      <density units="g/cc" value="0.740582"/>
-      <nuclide ao="0.049457" name="H1"/>
-      <nuclide ao="0.024672" name="O16"/>
-      <nuclide ao="8.0042e-06" name="B10"/>
-      <nuclide ao="3.2218e-05" name="B11"/>
+      <density value="0.740582" units="g/cc"/>
+      <nuclide name="H1" ao="0.049457"/>
+      <nuclide name="O16" ao="0.024672"/>
+      <nuclide name="B10" ao="8.0042e-06"/>
+      <nuclide name="B11" ao="3.2218e-05"/>
       <sab name="c_H_in_H2O"/>
     </material>
   </materials>
   <geometry>
-    <cell fill="4" id="1" region="1 -2 3 -4 5 -6" universe="5"/>
-    <dagmc_universe auto_geom_ids="true" filename="dagmc.h5m" id="1"/>
+    <cell id="1" fill="4" region="1 -2 3 -4 5 -6" universe="5"/>
+    <dagmc_universe id="1" auto_geom_ids="true" filename="dagmc.h5m"/>
     <lattice id="4">
       <pitch>24.0 24.0</pitch>
       <dimension>2 2</dimension>
@@ -36,12 +36,12 @@
 1 1 
 1 1 </universes>
     </lattice>
-    <surface boundary="reflective" coeffs="-24.0" id="1" name="left" type="x-plane"/>
-    <surface boundary="reflective" coeffs="24.0" id="2" name="right" type="x-plane"/>
-    <surface boundary="reflective" coeffs="-24.0" id="3" name="front" type="y-plane"/>
-    <surface boundary="reflective" coeffs="24.0" id="4" name="back" type="y-plane"/>
-    <surface boundary="reflective" coeffs="-10.0" id="5" name="bottom" type="z-plane"/>
-    <surface boundary="reflective" coeffs="10.0" id="6" name="top" type="z-plane"/>
+    <surface id="1" name="left" type="x-plane" boundary="reflective" coeffs="-24.0"/>
+    <surface id="2" name="right" type="x-plane" boundary="reflective" coeffs="24.0"/>
+    <surface id="3" name="front" type="y-plane" boundary="reflective" coeffs="-24.0"/>
+    <surface id="4" name="back" type="y-plane" boundary="reflective" coeffs="24.0"/>
+    <surface id="5" name="bottom" type="z-plane" boundary="reflective" coeffs="-10.0"/>
+    <surface id="6" name="top" type="z-plane" boundary="reflective" coeffs="10.0"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
diff --git a/tests/regression_tests/dagmc/uwuw/inputs_true.dat b/tests/regression_tests/dagmc/uwuw/inputs_true.dat
index d7e4a12aa..01082cb23 100644
--- a/tests/regression_tests/dagmc/uwuw/inputs_true.dat
+++ b/tests/regression_tests/dagmc/uwuw/inputs_true.dat
@@ -3,14 +3,14 @@
   <materials>
   </materials>
   <geometry>
-    <dagmc_universe filename="dagmc.h5m" id="1"/>
+    <dagmc_universe id="1" filename="dagmc.h5m"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
     <particles>100</particles>
     <batches>5</batches>
     <inactive>0</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>-4 -4 -4 4 4 4</parameters>
       </space>
diff --git a/tests/regression_tests/deplete_with_transport/last_step_reference_materials.xml b/tests/regression_tests/deplete_with_transport/last_step_reference_materials.xml
index f61595dd9..242e2e7db 100644
--- a/tests/regression_tests/deplete_with_transport/last_step_reference_materials.xml
+++ b/tests/regression_tests/deplete_with_transport/last_step_reference_materials.xml
@@ -1,1049 +1,1049 @@
 <?xml version='1.0' encoding='utf-8'?>
 <materials>
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+    <nuclide name="U238" ao="0.022134372559487282"/>
+    <nuclide name="Xe135" ao="5.0991030899242805e-09"/>
+    <nuclide name="Xe136" ao="1.7121460733075797e-06"/>
+  </material>
+  <material id="70" depletable="true" volume="0.06674732823364922" temperature="293.6">
+    <density units="sum"/>
+    <nuclide name="O16" ao="0.046295399999999994"/>
+    <nuclide name="O17" ao="0.00011276839999999999"/>
+    <nuclide name="Cs135" ao="4.664997159187979e-07"/>
+    <nuclide name="Gd156" ao="9.025781278455481e-09"/>
+    <nuclide name="Gd157" ao="3.190701703279217e-10"/>
+    <nuclide name="I135" ao="1.4711477916054572e-08"/>
+    <nuclide name="U234" ao="1.0043737061563706e-05"/>
+    <nuclide name="U235" ao="0.0010106766373031348"/>
+    <nuclide name="U238" ao="0.02213424099107004"/>
+    <nuclide name="Xe135" ao="5.458886745013372e-09"/>
+    <nuclide name="Xe136" ao="2.0466796921687864e-06"/>
+  </material>
+  <material id="71" depletable="true" volume="0.06674732823364922" temperature="293.6">
+    <density units="sum"/>
+    <nuclide name="O16" ao="0.046295399999999994"/>
+    <nuclide name="O17" ao="0.00011276839999999999"/>
+    <nuclide name="Cs135" ao="4.6163611872342463e-07"/>
+    <nuclide name="Gd156" ao="8.092676337515914e-09"/>
+    <nuclide name="Gd157" ao="4.0155978871991965e-10"/>
+    <nuclide name="I135" ao="1.1255710201354816e-08"/>
+    <nuclide name="U234" ao="1.0044080156464483e-05"/>
+    <nuclide name="U235" ao="0.0010160767932805275"/>
+    <nuclide name="U238" ao="0.022134404858133214"/>
+    <nuclide name="Xe135" ao="6.1065455616234985e-09"/>
+    <nuclide name="Xe136" ao="1.7613053571588805e-06"/>
+  </material>
+  <material id="72" depletable="true" volume="0.06674732823364922" temperature="293.6">
+    <density units="sum"/>
+    <nuclide name="O16" ao="0.046295399999999994"/>
+    <nuclide name="O17" ao="0.00011276839999999999"/>
+    <nuclide name="Cs135" ao="4.5571123718376045e-07"/>
+    <nuclide name="Gd156" ao="6.928887839072172e-09"/>
+    <nuclide name="Gd157" ao="4.3753171369940084e-10"/>
+    <nuclide name="I135" ao="8.934890686722866e-09"/>
+    <nuclide name="U234" ao="1.0044610174441688e-05"/>
+    <nuclide name="U235" ao="0.0010236806448679259"/>
+    <nuclide name="U238" ao="0.022134444472317126"/>
+    <nuclide name="Xe135" ao="5.225774688291077e-09"/>
+    <nuclide name="Xe136" ao="1.3609040886582337e-06"/>
+  </material>
+  <material id="73" volume="0.017528298008244847" temperature="293.6">
+    <density units="sum"/>
+    <nuclide name="N14" ao="3.3864599999999994e-05"/>
+    <nuclide name="N15" ao="1.23717e-07"/>
+    <nuclide name="O16" ao="7.86548e-06"/>
+    <nuclide name="O17" ao="2.9954799999999997e-09"/>
+  </material>
+  <material id="74" volume="0.16066450553933276" temperature="293.6">
+    <density units="sum"/>
+    <nuclide name="Cr50" ao="3.2962e-06"/>
+    <nuclide name="Cr52" ao="6.35639e-05"/>
+    <nuclide name="Cr53" ao="7.20763e-06"/>
+    <nuclide name="Cr54" ao="1.7941299999999999e-06"/>
+    <nuclide name="Fe54" ao="5.573499999999999e-06"/>
+    <nuclide name="Fe56" ao="8.749209999999999e-05"/>
+    <nuclide name="Fe57" ao="2.0205699999999998e-06"/>
+    <nuclide name="Fe58" ao="2.6890099999999995e-07"/>
+    <nuclide name="Ni58" ao="2.51631e-05"/>
+    <nuclide name="Ni60" ao="9.69278e-06"/>
+    <nuclide name="Ni61" ao="4.21338e-07"/>
+    <nuclide name="Ni62" ao="1.34341e-06"/>
+    <nuclide name="Ni64" ao="3.43127e-07"/>
+    <nuclide name="O16" ao="0.000307427"/>
+    <nuclide name="O17" ao="7.488679999999999e-07"/>
+    <nuclide name="Sn112" ao="4.67352e-06"/>
+    <nuclide name="Sn114" ao="3.17992e-06"/>
+    <nuclide name="Sn115" ao="1.6381399999999999e-06"/>
+    <nuclide name="Sn116" ao="7.005459999999999e-05"/>
+    <nuclide name="Sn117" ao="3.70027e-05"/>
+    <nuclide name="Sn118" ao="0.00011669399999999999"/>
+    <nuclide name="Sn119" ao="4.1387199999999996e-05"/>
+    <nuclide name="Sn120" ao="0.00015697299999999998"/>
+    <nuclide name="Sn122" ao="2.23076e-05"/>
+    <nuclide name="Sn124" ao="2.7896599999999996e-05"/>
+    <nuclide name="Zr90" ao="0.021831999999999997"/>
+    <nuclide name="Zr91" ao="0.004761039999999999"/>
+    <nuclide name="Zr92" ao="0.007277339999999999"/>
+    <nuclide name="Zr94" ao="0.007374939999999999"/>
+    <nuclide name="Zr96" ao="0.00118814"/>
+  </material>
+  <material id="75" volume="0.8803968514832288" temperature="293.6">
+    <density units="sum"/>
+    <nuclide name="H1" ao="0.046806299999999995"/>
+    <nuclide name="O16" ao="0.023342699999999997"/>
+    <nuclide name="O17" ao="8.890859999999999e-06"/>
     <sab name="c_H_in_H2O"/>
   </material>
-  <material id="76" temperature="293.6" volume="0.8803968514832288">
+  <material id="76" volume="0.8803968514832288" temperature="293.6">
     <density units="sum"/>
-    <nuclide ao="0.046806299999999995" name="H1"/>
-    <nuclide ao="0.023342699999999997" name="O16"/>
-    <nuclide ao="8.890859999999999e-06" name="O17"/>
+    <nuclide name="H1" ao="0.046806299999999995"/>
+    <nuclide name="O16" ao="0.023342699999999997"/>
+    <nuclide name="O17" ao="8.890859999999999e-06"/>
     <sab name="c_H_in_H2O"/>
   </material>
 </materials>
diff --git a/tests/regression_tests/diff_tally/inputs_true.dat b/tests/regression_tests/diff_tally/inputs_true.dat
index 3ec4154e8..19356b64a 100644
--- a/tests/regression_tests/diff_tally/inputs_true.dat
+++ b/tests/regression_tests/diff_tally/inputs_true.dat
@@ -1,40 +1,40 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1" name="UOX fuel">
-      <density units="g/cm3" value="10.062"/>
-      <nuclide ao="4.9476e-06" name="U234"/>
-      <nuclide ao="0.00048218" name="U235"/>
-      <nuclide ao="0.021504" name="U238"/>
-      <nuclide ao="1.0801e-08" name="Xe135"/>
-      <nuclide ao="0.045737" name="O16"/>
+    <material id="1" name="UOX fuel" depletable="true">
+      <density value="10.062" units="g/cm3"/>
+      <nuclide name="U234" ao="4.9476e-06"/>
+      <nuclide name="U235" ao="0.00048218"/>
+      <nuclide name="U238" ao="0.021504"/>
+      <nuclide name="Xe135" ao="1.0801e-08"/>
+      <nuclide name="O16" ao="0.045737"/>
     </material>
     <material id="2" name="Zircaloy">
-      <density units="g/cm3" value="5.77"/>
-      <nuclide ao="0.5145" name="Zr90"/>
-      <nuclide ao="0.1122" name="Zr91"/>
-      <nuclide ao="0.1715" name="Zr92"/>
-      <nuclide ao="0.1738" name="Zr94"/>
-      <nuclide ao="0.028" name="Zr96"/>
+      <density value="5.77" units="g/cm3"/>
+      <nuclide name="Zr90" ao="0.5145"/>
+      <nuclide name="Zr91" ao="0.1122"/>
+      <nuclide name="Zr92" ao="0.1715"/>
+      <nuclide name="Zr94" ao="0.1738"/>
+      <nuclide name="Zr96" ao="0.028"/>
     </material>
     <material id="3" name="Cold borated water">
-      <density units="atom/b-cm" value="0.07416"/>
-      <nuclide ao="2.0" name="H1"/>
-      <nuclide ao="1.0" name="O16"/>
-      <nuclide ao="0.000649" name="B10"/>
-      <nuclide ao="0.002689" name="B11"/>
+      <density value="0.07416" units="atom/b-cm"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
+      <nuclide name="B10" ao="0.000649"/>
+      <nuclide name="B11" ao="0.002689"/>
       <sab name="c_H_in_H2O"/>
     </material>
     <material id="4" name="Hot borated water">
-      <density units="atom/b-cm" value="0.06614"/>
-      <nuclide ao="2.0" name="H1"/>
-      <nuclide ao="1.0" name="O16"/>
-      <nuclide ao="0.000649" name="B10"/>
-      <nuclide ao="0.002689" name="B11"/>
+      <density value="0.06614" units="atom/b-cm"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
+      <nuclide name="B10" ao="0.000649"/>
+      <nuclide name="B11" ao="0.002689"/>
       <sab name="c_H_in_H2O"/>
     </material>
     <material id="5" name="Reactor pressure vessel steel">
-      <density units="g/cm3" value="7.9"/>
+      <density value="7.9" units="g/cm3"/>
       <nuclide name="Fe54" wo="0.05437098"/>
       <nuclide name="Fe56" wo="0.88500663"/>
       <nuclide name="Fe57" wo="0.0208008"/>
@@ -47,7 +47,7 @@
       <nuclide name="Cu63" wo="0.0013696"/>
     </material>
     <material id="6" name="Lower radial reflector">
-      <density units="g/cm3" value="4.32"/>
+      <density value="4.32" units="g/cm3"/>
       <nuclide name="H1" wo="0.0095661"/>
       <nuclide name="O16" wo="0.0759107"/>
       <nuclide name="B10" wo="3.08409e-05"/>
@@ -62,7 +62,7 @@
       <sab name="c_H_in_H2O"/>
     </material>
     <material id="7" name="Upper radial reflector / Top plate region">
-      <density units="g/cm3" value="4.28"/>
+      <density value="4.28" units="g/cm3"/>
       <nuclide name="H1" wo="0.0086117"/>
       <nuclide name="O16" wo="0.0683369"/>
       <nuclide name="B10" wo="2.77638e-05"/>
@@ -77,7 +77,7 @@
       <sab name="c_H_in_H2O"/>
     </material>
     <material id="8" name="Bottom plate region">
-      <density units="g/cm3" value="7.184"/>
+      <density value="7.184" units="g/cm3"/>
       <nuclide name="H1" wo="0.0011505"/>
       <nuclide name="O16" wo="0.0091296"/>
       <nuclide name="B10" wo="3.70915e-06"/>
@@ -92,7 +92,7 @@
       <sab name="c_H_in_H2O"/>
     </material>
     <material id="9" name="Bottom nozzle region">
-      <density units="g/cm3" value="2.53"/>
+      <density value="2.53" units="g/cm3"/>
       <nuclide name="H1" wo="0.0245014"/>
       <nuclide name="O16" wo="0.1944274"/>
       <nuclide name="B10" wo="7.89917e-05"/>
@@ -107,7 +107,7 @@
       <sab name="c_H_in_H2O"/>
     </material>
     <material id="10" name="Top nozzle region">
-      <density units="g/cm3" value="1.746"/>
+      <density value="1.746" units="g/cm3"/>
       <nuclide name="H1" wo="0.035887"/>
       <nuclide name="O16" wo="0.2847761"/>
       <nuclide name="B10" wo="0.000115699"/>
@@ -122,7 +122,7 @@
       <sab name="c_H_in_H2O"/>
     </material>
     <material id="11" name="Top of fuel assemblies">
-      <density units="g/cm3" value="3.044"/>
+      <density value="3.044" units="g/cm3"/>
       <nuclide name="H1" wo="0.0162913"/>
       <nuclide name="O16" wo="0.1292776"/>
       <nuclide name="B10" wo="5.25228e-05"/>
@@ -135,7 +135,7 @@
       <sab name="c_H_in_H2O"/>
     </material>
     <material id="12" name="Bottom of fuel assemblies">
-      <density units="g/cm3" value="1.762"/>
+      <density value="1.762" units="g/cm3"/>
       <nuclide name="H1" wo="0.0292856"/>
       <nuclide name="O16" wo="0.2323919"/>
       <nuclide name="B10" wo="9.44159e-05"/>
@@ -149,8 +149,8 @@
     </material>
   </materials>
   <geometry>
-    <cell fill="200" id="1" region="-6 34 -35" universe="0"/>
-    <cell fill="201" id="2" region="-6 35 -36" universe="0"/>
+    <cell id="1" fill="200" region="-6 34 -35" universe="0"/>
+    <cell id="2" fill="201" region="-6 35 -36" universe="0"/>
     <cell id="3" material="8" region="-7 31 -32" universe="0"/>
     <cell id="4" material="9" region="-5 32 -33" universe="0"/>
     <cell id="5" material="12" region="-5 33 -34" universe="0"/>
@@ -174,9 +174,9 @@
     <cell id="31" material="2" region="3 -4" universe="4"/>
     <cell id="32" material="4" region="4" universe="4"/>
     <cell id="50" material="3" region="34 -35" universe="5"/>
-    <cell fill="100" id="60" region="34 -35" universe="6"/>
+    <cell id="60" fill="100" region="34 -35" universe="6"/>
     <cell id="70" material="4" region="35 -36" universe="7"/>
-    <cell fill="101" id="80" region="35 -36" universe="8"/>
+    <cell id="80" fill="101" region="35 -36" universe="8"/>
     <lattice id="100" name="Fuel assembly (lower half)">
       <pitch>1.26 1.26</pitch>
       <dimension>17 17</dimension>
@@ -277,30 +277,30 @@
 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 
 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 </universes>
     </lattice>
-    <surface coeffs="0.0 0.0 0.41" id="1" type="z-cylinder"/>
-    <surface coeffs="0.0 0.0 0.475" id="2" type="z-cylinder"/>
-    <surface coeffs="0.0 0.0 0.56" id="3" type="z-cylinder"/>
-    <surface coeffs="0.0 0.0 0.62" id="4" type="z-cylinder"/>
-    <surface coeffs="0.0 0.0 187.6" id="5" type="z-cylinder"/>
-    <surface coeffs="0.0 0.0 209.0" id="6" type="z-cylinder"/>
-    <surface coeffs="0.0 0.0 229.0" id="7" type="z-cylinder"/>
-    <surface boundary="vacuum" coeffs="0.0 0.0 249.0" id="8" type="z-cylinder"/>
-    <surface boundary="vacuum" coeffs="-229.0" id="31" type="z-plane"/>
-    <surface coeffs="-199.0" id="32" type="z-plane"/>
-    <surface coeffs="-193.0" id="33" type="z-plane"/>
-    <surface coeffs="-183.0" id="34" type="z-plane"/>
-    <surface coeffs="0.0" id="35" type="z-plane"/>
-    <surface coeffs="183.0" id="36" type="z-plane"/>
-    <surface coeffs="203.0" id="37" type="z-plane"/>
-    <surface coeffs="215.0" id="38" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="223.0" id="39" type="z-plane"/>
+    <surface id="1" type="z-cylinder" coeffs="0.0 0.0 0.41"/>
+    <surface id="2" type="z-cylinder" coeffs="0.0 0.0 0.475"/>
+    <surface id="3" type="z-cylinder" coeffs="0.0 0.0 0.56"/>
+    <surface id="4" type="z-cylinder" coeffs="0.0 0.0 0.62"/>
+    <surface id="5" type="z-cylinder" coeffs="0.0 0.0 187.6"/>
+    <surface id="6" type="z-cylinder" coeffs="0.0 0.0 209.0"/>
+    <surface id="7" type="z-cylinder" coeffs="0.0 0.0 229.0"/>
+    <surface id="8" type="z-cylinder" boundary="vacuum" coeffs="0.0 0.0 249.0"/>
+    <surface id="31" type="z-plane" boundary="vacuum" coeffs="-229.0"/>
+    <surface id="32" type="z-plane" coeffs="-199.0"/>
+    <surface id="33" type="z-plane" coeffs="-193.0"/>
+    <surface id="34" type="z-plane" coeffs="-183.0"/>
+    <surface id="35" type="z-plane" coeffs="0.0"/>
+    <surface id="36" type="z-plane" coeffs="183.0"/>
+    <surface id="37" type="z-plane" coeffs="203.0"/>
+    <surface id="38" type="z-plane" coeffs="215.0"/>
+    <surface id="39" type="z-plane" boundary="vacuum" coeffs="223.0"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
     <particles>100</particles>
     <batches>3</batches>
     <inactive>0</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>-160 -160 -183 160 160 183</parameters>
       </space>
@@ -429,10 +429,10 @@
       <scores>nu-fission scatter</scores>
       <derivative>5</derivative>
     </tally>
-    <derivative id="1" material="3" variable="density"/>
-    <derivative id="2" material="1" variable="density"/>
-    <derivative id="3" material="1" nuclide="O16" variable="nuclide_density"/>
-    <derivative id="4" material="1" nuclide="U235" variable="nuclide_density"/>
-    <derivative id="5" material="1" variable="temperature"/>
+    <derivative id="1" variable="density" material="3"/>
+    <derivative id="2" variable="density" material="1"/>
+    <derivative id="3" variable="nuclide_density" material="1" nuclide="O16"/>
+    <derivative id="4" variable="nuclide_density" material="1" nuclide="U235"/>
+    <derivative id="5" variable="temperature" material="1"/>
   </tallies>
 </model>
diff --git a/tests/regression_tests/distribmat/inputs_true.dat b/tests/regression_tests/distribmat/inputs_true.dat
index ade86999d..35b3b5b9f 100644
--- a/tests/regression_tests/distribmat/inputs_true.dat
+++ b/tests/regression_tests/distribmat/inputs_true.dat
@@ -2,24 +2,24 @@
 <model>
   <materials>
     <material id="1">
-      <density units="g/cc" value="1.0"/>
-      <nuclide ao="2.0" name="H1"/>
-      <nuclide ao="1.0" name="O16"/>
+      <density value="1.0" units="g/cc"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
     </material>
-    <material depletable="true" id="2">
-      <density units="g/cc" value="4.5"/>
-      <nuclide ao="1.0" name="U235"/>
+    <material id="2" depletable="true">
+      <density value="4.5" units="g/cc"/>
+      <nuclide name="U235" ao="1.0"/>
     </material>
-    <material depletable="true" id="3">
-      <density units="g/cc" value="2.0"/>
-      <nuclide ao="1.0" name="U235"/>
+    <material id="3" depletable="true">
+      <density value="2.0" units="g/cc"/>
+      <nuclide name="U235" ao="1.0"/>
     </material>
   </materials>
   <geometry>
     <cell id="1" material="1" universe="1"/>
     <cell id="11" material="2 void 3 2" region="-1" universe="11"/>
     <cell id="12" material="1" region="1" universe="11"/>
-    <cell fill="101" id="101" region="2 -3 4 -5" universe="0"/>
+    <cell id="101" fill="101" region="2 -3 4 -5" universe="0"/>
     <lattice id="101">
       <pitch>2.0 2.0</pitch>
       <outer>1</outer>
@@ -29,30 +29,30 @@
 11 11 
 11 11 </universes>
     </lattice>
-    <surface coeffs="0.0 0.0 0.3" id="1" type="z-cylinder"/>
-    <surface boundary="reflective" coeffs="-3.0" id="2" type="x-plane"/>
-    <surface boundary="reflective" coeffs="3.0" id="3" type="x-plane"/>
-    <surface boundary="reflective" coeffs="-3.0" id="4" type="y-plane"/>
-    <surface boundary="reflective" coeffs="3.0" id="5" type="y-plane"/>
+    <surface id="1" type="z-cylinder" coeffs="0.0 0.0 0.3"/>
+    <surface id="2" type="x-plane" boundary="reflective" coeffs="-3.0"/>
+    <surface id="3" type="x-plane" boundary="reflective" coeffs="3.0"/>
+    <surface id="4" type="y-plane" boundary="reflective" coeffs="-3.0"/>
+    <surface id="5" type="y-plane" boundary="reflective" coeffs="3.0"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
     <particles>1000</particles>
     <batches>5</batches>
     <inactive>0</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>-1 -1 -1 1 1 1</parameters>
       </space>
     </source>
   </settings>
   <plots>
-    <plot basis="xy" color_by="cell" filename="cellplot" id="1" type="slice">
+    <plot id="1" filename="cellplot" color_by="cell" type="slice" basis="xy">
       <pixels>400 400</pixels>
       <origin>0 0 0</origin>
       <width>7 7</width>
     </plot>
-    <plot basis="xy" color_by="material" filename="matplot" id="2" type="slice">
+    <plot id="2" filename="matplot" color_by="material" type="slice" basis="xy">
       <pixels>400 400</pixels>
       <origin>0 0 0</origin>
       <width>7 7</width>
diff --git a/tests/regression_tests/eigenvalue_genperbatch/inputs_true.dat b/tests/regression_tests/eigenvalue_genperbatch/inputs_true.dat
index a3e67d62f..15b810a62 100644
--- a/tests/regression_tests/eigenvalue_genperbatch/inputs_true.dat
+++ b/tests/regression_tests/eigenvalue_genperbatch/inputs_true.dat
@@ -1,14 +1,14 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1">
-      <density units="g/cm3" value="4.5"/>
-      <nuclide ao="1.0" name="U235"/>
+    <material id="1" depletable="true">
+      <density value="4.5" units="g/cm3"/>
+      <nuclide name="U235" ao="1.0"/>
     </material>
   </materials>
   <geometry>
     <cell id="1" material="1" region="-1" universe="1"/>
-    <surface boundary="vacuum" coeffs="0.0 0.0 0.0 10.0" id="1" type="sphere"/>
+    <surface id="1" type="sphere" boundary="vacuum" coeffs="0.0 0.0 0.0 10.0"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
@@ -16,7 +16,7 @@
     <batches>7</batches>
     <inactive>3</inactive>
     <generations_per_batch>3</generations_per_batch>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>-4.0 -4.0 -4.0 4.0 4.0 4.0</parameters>
       </space>
diff --git a/tests/regression_tests/energy_cutoff/inputs_true.dat b/tests/regression_tests/energy_cutoff/inputs_true.dat
index af8f86b67..557cb7a3b 100644
--- a/tests/regression_tests/energy_cutoff/inputs_true.dat
+++ b/tests/regression_tests/energy_cutoff/inputs_true.dat
@@ -2,28 +2,28 @@
 <model>
   <materials>
     <material id="1" name="mat">
-      <density units="atom/b-cm" value="0.069335"/>
-      <nuclide ao="40.0" name="H1"/>
+      <density value="0.069335" units="atom/b-cm"/>
+      <nuclide name="H1" ao="40.0"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="box" region="1 -2 3 -4 5 -6" universe="0"/>
-    <surface boundary="reflective" coeffs="-1" id="1" type="x-plane"/>
-    <surface boundary="reflective" coeffs="1" id="2" type="x-plane"/>
-    <surface boundary="reflective" coeffs="-1" id="3" type="y-plane"/>
-    <surface boundary="reflective" coeffs="1" id="4" type="y-plane"/>
-    <surface boundary="reflective" coeffs="-1" id="5" type="z-plane"/>
-    <surface boundary="reflective" coeffs="1" id="6" type="z-plane"/>
+    <cell id="1" name="box" material="1" region="1 -2 3 -4 5 -6" universe="0"/>
+    <surface id="1" type="x-plane" boundary="reflective" coeffs="-1"/>
+    <surface id="2" type="x-plane" boundary="reflective" coeffs="1"/>
+    <surface id="3" type="y-plane" boundary="reflective" coeffs="-1"/>
+    <surface id="4" type="y-plane" boundary="reflective" coeffs="1"/>
+    <surface id="5" type="z-plane" boundary="reflective" coeffs="-1"/>
+    <surface id="6" type="z-plane" boundary="reflective" coeffs="1"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
     <particles>100</particles>
     <batches>10</batches>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>-1 -1 -1 1 1 1</parameters>
       </space>
-      <energy parameters="988000.0 2.249e-06" type="watt"/>
+      <energy type="watt" parameters="988000.0 2.249e-06"/>
     </source>
     <cutoff>
       <energy_neutron>4.0</energy_neutron>
diff --git a/tests/regression_tests/energy_laws/inputs_true.dat b/tests/regression_tests/energy_laws/inputs_true.dat
index 4d8e825d1..8c5191217 100644
--- a/tests/regression_tests/energy_laws/inputs_true.dat
+++ b/tests/regression_tests/energy_laws/inputs_true.dat
@@ -1,18 +1,18 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1">
-      <density units="g/cm3" value="20.0"/>
-      <nuclide ao="1.0" name="U233"/>
-      <nuclide ao="1.0" name="Am244"/>
-      <nuclide ao="1.0" name="H2"/>
-      <nuclide ao="1.0" name="Na23"/>
-      <nuclide ao="1.0" name="Ta181"/>
+    <material id="1" depletable="true">
+      <density value="20.0" units="g/cm3"/>
+      <nuclide name="U233" ao="1.0"/>
+      <nuclide name="Am244" ao="1.0"/>
+      <nuclide name="H2" ao="1.0"/>
+      <nuclide name="Na23" ao="1.0"/>
+      <nuclide name="Ta181" ao="1.0"/>
     </material>
   </materials>
   <geometry>
     <cell id="1" material="1" region="-1" universe="1"/>
-    <surface boundary="reflective" coeffs="0.0 0.0 0.0 100.0" id="1" type="sphere"/>
+    <surface id="1" type="sphere" boundary="reflective" coeffs="0.0 0.0 0.0 100.0"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
diff --git a/tests/regression_tests/external_moab/inputs_true.dat b/tests/regression_tests/external_moab/inputs_true.dat
index 23b656bce..ed035f897 100644
--- a/tests/regression_tests/external_moab/inputs_true.dat
+++ b/tests/regression_tests/external_moab/inputs_true.dat
@@ -1,63 +1,63 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1" name="fuel">
-      <density units="g/cc" value="4.5"/>
-      <nuclide ao="1.0" name="U235"/>
+    <material id="1" name="fuel" depletable="true">
+      <density value="4.5" units="g/cc"/>
+      <nuclide name="U235" ao="1.0"/>
     </material>
     <material id="2" name="zircaloy">
-      <density units="g/cc" value="5.77"/>
-      <nuclide ao="0.5145" name="Zr90"/>
-      <nuclide ao="0.1122" name="Zr91"/>
-      <nuclide ao="0.1715" name="Zr92"/>
-      <nuclide ao="0.1738" name="Zr94"/>
-      <nuclide ao="0.028" name="Zr96"/>
+      <density value="5.77" units="g/cc"/>
+      <nuclide name="Zr90" ao="0.5145"/>
+      <nuclide name="Zr91" ao="0.1122"/>
+      <nuclide name="Zr92" ao="0.1715"/>
+      <nuclide name="Zr94" ao="0.1738"/>
+      <nuclide name="Zr96" ao="0.028"/>
     </material>
     <material id="3" name="water">
-      <density units="atom/b-cm" value="0.07416"/>
-      <nuclide ao="2.0" name="H1"/>
-      <nuclide ao="1.0" name="O16"/>
+      <density value="0.07416" units="atom/b-cm"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="fuel" region="1 -2 3 -4 5 -6" universe="1"/>
-    <cell id="2" material="2" name="clad" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1"/>
-    <cell id="3" material="3" name="water" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1"/>
-    <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane"/>
-    <surface coeffs="5.0" id="2" name="maximum x" type="x-plane"/>
-    <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane"/>
-    <surface coeffs="5.0" id="4" name="maximum y" type="y-plane"/>
-    <surface coeffs="-5.0" id="5" name="minimum z" type="z-plane"/>
-    <surface coeffs="5.0" id="6" name="maximum z" type="z-plane"/>
-    <surface coeffs="-6.0" id="7" name="minimum x" type="x-plane"/>
-    <surface coeffs="6.0" id="8" name="maximum x" type="x-plane"/>
-    <surface coeffs="-6.0" id="9" name="minimum y" type="y-plane"/>
-    <surface coeffs="6.0" id="10" name="maximum y" type="y-plane"/>
-    <surface coeffs="-6.0" id="11" name="minimum z" type="z-plane"/>
-    <surface coeffs="6.0" id="12" name="maximum z" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="-10" id="13" name="minimum x" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="10" id="14" name="maximum x" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="-10" id="15" name="minimum y" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="10" id="16" name="maximum y" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="-10" id="17" name="minimum z" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="10" id="18" name="maximum z" type="z-plane"/>
+    <cell id="1" name="fuel" material="1" region="1 -2 3 -4 5 -6" universe="1"/>
+    <cell id="2" name="clad" material="2" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1"/>
+    <cell id="3" name="water" material="3" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1"/>
+    <surface id="1" name="minimum x" type="x-plane" coeffs="-5.0"/>
+    <surface id="2" name="maximum x" type="x-plane" coeffs="5.0"/>
+    <surface id="3" name="minimum y" type="y-plane" coeffs="-5.0"/>
+    <surface id="4" name="maximum y" type="y-plane" coeffs="5.0"/>
+    <surface id="5" name="minimum z" type="z-plane" coeffs="-5.0"/>
+    <surface id="6" name="maximum z" type="z-plane" coeffs="5.0"/>
+    <surface id="7" name="minimum x" type="x-plane" coeffs="-6.0"/>
+    <surface id="8" name="maximum x" type="x-plane" coeffs="6.0"/>
+    <surface id="9" name="minimum y" type="y-plane" coeffs="-6.0"/>
+    <surface id="10" name="maximum y" type="y-plane" coeffs="6.0"/>
+    <surface id="11" name="minimum z" type="z-plane" coeffs="-6.0"/>
+    <surface id="12" name="maximum z" type="z-plane" coeffs="6.0"/>
+    <surface id="13" name="minimum x" type="x-plane" boundary="vacuum" coeffs="-10"/>
+    <surface id="14" name="maximum x" type="x-plane" boundary="vacuum" coeffs="10"/>
+    <surface id="15" name="minimum y" type="y-plane" boundary="vacuum" coeffs="-10"/>
+    <surface id="16" name="maximum y" type="y-plane" boundary="vacuum" coeffs="10"/>
+    <surface id="17" name="minimum z" type="z-plane" boundary="vacuum" coeffs="-10"/>
+    <surface id="18" name="maximum z" type="z-plane" boundary="vacuum" coeffs="10"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
     <particles>100</particles>
     <batches>10</batches>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="point">
         <parameters>0.0 0.0 0.0</parameters>
       </space>
-      <angle reference_uvw="-1.0 0.0 0.0" type="monodirectional"/>
+      <angle type="monodirectional" reference_uvw="-1.0 0.0 0.0"/>
       <energy type="discrete">
         <parameters>15000000.0 1.0</parameters>
       </energy>
     </source>
   </settings>
   <tallies>
-    <mesh id="1" library="moab" type="unstructured">
+    <mesh id="1" type="unstructured" library="moab">
       <filename>test_mesh_tets.h5m</filename>
     </mesh>
     <filter id="1" type="mesh">
diff --git a/tests/regression_tests/filter_cellfrom/inputs_true.dat b/tests/regression_tests/filter_cellfrom/inputs_true.dat
index b85f63c6e..20d0d69d4 100644
--- a/tests/regression_tests/filter_cellfrom/inputs_true.dat
+++ b/tests/regression_tests/filter_cellfrom/inputs_true.dat
@@ -1,54 +1,54 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1">
-      <density units="g/cm3" value="10.97"/>
-      <nuclide ao="0.0004524" name="U234"/>
-      <nuclide ao="0.0506068" name="U235"/>
-      <nuclide ao="0.948709" name="U238"/>
-      <nuclide ao="0.0002318" name="U236"/>
-      <nuclide ao="2.0" name="O16"/>
+    <material id="1" depletable="true">
+      <density value="10.97" units="g/cm3"/>
+      <nuclide name="U234" ao="0.0004524"/>
+      <nuclide name="U235" ao="0.0506068"/>
+      <nuclide name="U238" ao="0.948709"/>
+      <nuclide name="U236" ao="0.0002318"/>
+      <nuclide name="O16" ao="2.0"/>
     </material>
     <material id="2">
-      <density units="g/cm3" value="1.0"/>
-      <nuclide ao="2.0" name="H1"/>
-      <nuclide ao="1.0" name="O16"/>
+      <density value="1.0" units="g/cm3"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
     </material>
     <material id="3">
-      <density units="g/cm3" value="0.001225"/>
-      <nuclide ao="0.1999242" name="O16"/>
-      <nuclide ao="7.58e-05" name="O17"/>
-      <nuclide ao="0.7970696" name="N14"/>
-      <nuclide ao="0.0029304" name="N15"/>
+      <density value="0.001225" units="g/cm3"/>
+      <nuclide name="O16" ao="0.1999242"/>
+      <nuclide name="O17" ao="7.58e-05"/>
+      <nuclide name="N14" ao="0.7970696"/>
+      <nuclide name="N15" ao="0.0029304"/>
     </material>
   </materials>
   <geometry>
     <cell id="1" material="1" region="-1 2 -3" universe="1"/>
     <cell id="2" material="3" region="1 | -2 | 3" universe="1"/>
-    <cell fill="1" id="3" region="-5 4 -7 6 -9 8" universe="2"/>
+    <cell id="3" fill="1" region="-5 4 -7 6 -9 8" universe="2"/>
     <cell id="4" material="2" region="-11 10 -13 12 -15 14 (5 | -4 | 7 | -6 | 9 | -8)" universe="2"/>
-    <surface coeffs="0.0 0.0 2.0" id="1" type="z-cylinder"/>
-    <surface coeffs="-2.0" id="2" type="z-plane"/>
-    <surface coeffs="2.0" id="3" type="z-plane"/>
-    <surface coeffs="-2.05" id="4" type="x-plane"/>
-    <surface coeffs="2.05" id="5" type="x-plane"/>
-    <surface coeffs="-2.05" id="6" type="y-plane"/>
-    <surface coeffs="2.05" id="7" type="y-plane"/>
-    <surface coeffs="-2.05" id="8" type="z-plane"/>
-    <surface coeffs="2.05" id="9" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="-6.0" id="10" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="6.0" id="11" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="-6.0" id="12" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="6.0" id="13" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="-6.0" id="14" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="6.0" id="15" type="z-plane"/>
+    <surface id="1" type="z-cylinder" coeffs="0.0 0.0 2.0"/>
+    <surface id="2" type="z-plane" coeffs="-2.0"/>
+    <surface id="3" type="z-plane" coeffs="2.0"/>
+    <surface id="4" type="x-plane" coeffs="-2.05"/>
+    <surface id="5" type="x-plane" coeffs="2.05"/>
+    <surface id="6" type="y-plane" coeffs="-2.05"/>
+    <surface id="7" type="y-plane" coeffs="2.05"/>
+    <surface id="8" type="z-plane" coeffs="-2.05"/>
+    <surface id="9" type="z-plane" coeffs="2.05"/>
+    <surface id="10" type="x-plane" boundary="vacuum" coeffs="-6.0"/>
+    <surface id="11" type="x-plane" boundary="vacuum" coeffs="6.0"/>
+    <surface id="12" type="y-plane" boundary="vacuum" coeffs="-6.0"/>
+    <surface id="13" type="y-plane" boundary="vacuum" coeffs="6.0"/>
+    <surface id="14" type="z-plane" boundary="vacuum" coeffs="-6.0"/>
+    <surface id="15" type="z-plane" boundary="vacuum" coeffs="6.0"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
     <particles>2000</particles>
     <batches>15</batches>
     <inactive>5</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
       </space>
diff --git a/tests/regression_tests/filter_cellinstance/inputs_true.dat b/tests/regression_tests/filter_cellinstance/inputs_true.dat
index b17cc0eb5..2677d7ad2 100644
--- a/tests/regression_tests/filter_cellinstance/inputs_true.dat
+++ b/tests/regression_tests/filter_cellinstance/inputs_true.dat
@@ -1,22 +1,22 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1">
-      <density units="g/cc" value="4.5"/>
-      <nuclide ao="1.0" name="U235"/>
+    <material id="1" depletable="true">
+      <density value="4.5" units="g/cc"/>
+      <nuclide name="U235" ao="1.0"/>
     </material>
     <material id="2">
-      <density units="g/cc" value="1.0"/>
-      <nuclide ao="1.0" name="H1"/>
+      <density value="1.0" units="g/cc"/>
+      <nuclide name="H1" ao="1.0"/>
     </material>
   </materials>
   <geometry>
     <cell id="1" material="1" region="-1" universe="2"/>
     <cell id="2" material="2" region="1" universe="1"/>
-    <cell fill="1" id="3" universe="2"/>
+    <cell id="3" fill="1" universe="2"/>
     <cell id="4" material="1" region="-2" universe="3"/>
     <cell id="5" material="2" region="2" universe="3"/>
-    <cell fill="4" id="6" region="3 -4 5 -6" universe="5"/>
+    <cell id="6" fill="4" region="3 -4 5 -6" universe="5"/>
     <lattice id="4">
       <pitch>2 2</pitch>
       <dimension>4 4</dimension>
@@ -27,19 +27,19 @@
 3 3 2 3 
 3 3 3 2 </universes>
     </lattice>
-    <surface coeffs="0.0 0.0 0.7" id="1" type="z-cylinder"/>
-    <surface coeffs="0.0 0.0 0.5" id="2" type="z-cylinder"/>
-    <surface boundary="reflective" coeffs="-4.0" id="3" name="minimum x" type="x-plane"/>
-    <surface boundary="reflective" coeffs="4.0" id="4" name="maximum x" type="x-plane"/>
-    <surface boundary="reflective" coeffs="-4.0" id="5" name="minimum y" type="y-plane"/>
-    <surface boundary="reflective" coeffs="4.0" id="6" name="maximum y" type="y-plane"/>
+    <surface id="1" type="z-cylinder" coeffs="0.0 0.0 0.7"/>
+    <surface id="2" type="z-cylinder" coeffs="0.0 0.0 0.5"/>
+    <surface id="3" name="minimum x" type="x-plane" boundary="reflective" coeffs="-4.0"/>
+    <surface id="4" name="maximum x" type="x-plane" boundary="reflective" coeffs="4.0"/>
+    <surface id="5" name="minimum y" type="y-plane" boundary="reflective" coeffs="-4.0"/>
+    <surface id="6" name="maximum y" type="y-plane" boundary="reflective" coeffs="4.0"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
     <particles>1000</particles>
     <batches>5</batches>
     <inactive>0</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="point">
         <parameters>0.0 0.0 0.0</parameters>
       </space>
diff --git a/tests/regression_tests/filter_energyfun/inputs_true.dat b/tests/regression_tests/filter_energyfun/inputs_true.dat
index 4b7b74d28..b7a70290f 100644
--- a/tests/regression_tests/filter_energyfun/inputs_true.dat
+++ b/tests/regression_tests/filter_energyfun/inputs_true.dat
@@ -1,14 +1,14 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1">
-      <density units="g/cm3" value="10.0"/>
-      <nuclide ao="1.0" name="Am241"/>
+    <material id="1" depletable="true">
+      <density value="10.0" units="g/cm3"/>
+      <nuclide name="Am241" ao="1.0"/>
     </material>
   </materials>
   <geometry>
     <cell id="1" material="1" region="-1" universe="1"/>
-    <surface boundary="vacuum" coeffs="0.0 0.0 0.0 100.0" id="1" type="sphere"/>
+    <surface id="1" type="sphere" boundary="vacuum" coeffs="0.0 0.0 0.0 100.0"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
diff --git a/tests/regression_tests/filter_mesh/inputs_true.dat b/tests/regression_tests/filter_mesh/inputs_true.dat
index 4995749bb..10f70a720 100644
--- a/tests/regression_tests/filter_mesh/inputs_true.dat
+++ b/tests/regression_tests/filter_mesh/inputs_true.dat
@@ -1,28 +1,28 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1">
-      <density units="g/cm3" value="10.0"/>
-      <nuclide ao="1.0" name="U235"/>
+    <material id="1" depletable="true">
+      <density value="10.0" units="g/cm3"/>
+      <nuclide name="U235" ao="1.0"/>
     </material>
     <material id="2">
-      <density units="g/cm3" value="1.0"/>
-      <nuclide ao="1.0" name="Zr90"/>
+      <density value="1.0" units="g/cm3"/>
+      <nuclide name="Zr90" ao="1.0"/>
     </material>
   </materials>
   <geometry>
     <cell id="1" material="1" region="1 -2 3 -4 10 -9" universe="1"/>
     <cell id="2" material="2" region="(-1 | 2 | -3 | 4) (5 -6 7 -8) 10 -9" universe="1"/>
-    <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane"/>
-    <surface coeffs="5.0" id="2" name="maximum x" type="x-plane"/>
-    <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane"/>
-    <surface coeffs="5.0" id="4" name="maximum y" type="y-plane"/>
-    <surface boundary="reflective" coeffs="-10.0" id="5" name="minimum x" type="x-plane"/>
-    <surface boundary="reflective" coeffs="10.0" id="6" name="maximum x" type="x-plane"/>
-    <surface boundary="reflective" coeffs="-10.0" id="7" name="minimum y" type="y-plane"/>
-    <surface boundary="reflective" coeffs="10.0" id="8" name="maximum y" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="10.0" id="9" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="-10.0" id="10" type="z-plane"/>
+    <surface id="1" name="minimum x" type="x-plane" coeffs="-5.0"/>
+    <surface id="2" name="maximum x" type="x-plane" coeffs="5.0"/>
+    <surface id="3" name="minimum y" type="y-plane" coeffs="-5.0"/>
+    <surface id="4" name="maximum y" type="y-plane" coeffs="5.0"/>
+    <surface id="5" name="minimum x" type="x-plane" boundary="reflective" coeffs="-10.0"/>
+    <surface id="6" name="maximum x" type="x-plane" boundary="reflective" coeffs="10.0"/>
+    <surface id="7" name="minimum y" type="y-plane" boundary="reflective" coeffs="-10.0"/>
+    <surface id="8" name="maximum y" type="y-plane" boundary="reflective" coeffs="10.0"/>
+    <surface id="9" type="z-plane" boundary="vacuum" coeffs="10.0"/>
+    <surface id="10" type="z-plane" boundary="vacuum" coeffs="-10.0"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
diff --git a/tests/regression_tests/filter_meshborn/inputs_true.dat b/tests/regression_tests/filter_meshborn/inputs_true.dat
index 3ba38d56e..a94646ec8 100644
--- a/tests/regression_tests/filter_meshborn/inputs_true.dat
+++ b/tests/regression_tests/filter_meshborn/inputs_true.dat
@@ -2,19 +2,19 @@
 <model>
   <materials>
     <material id="1">
-      <density units="g/cm3" value="1.0"/>
-      <nuclide ao="1.0" name="H1"/>
+      <density value="1.0" units="g/cm3"/>
+      <nuclide name="H1" ao="1.0"/>
     </material>
   </materials>
   <geometry>
     <cell id="1" material="1" region="-1" universe="1"/>
-    <surface boundary="reflective" coeffs="0.0 0.0 0.0 10.0" id="1" type="sphere"/>
+    <surface id="1" type="sphere" boundary="reflective" coeffs="0.0 0.0 0.0 10.0"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
     <particles>2000</particles>
     <batches>8</batches>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>0.0 -10.0 -10.0 10.0 10.0 10.0</parameters>
       </space>
diff --git a/tests/regression_tests/filter_musurface/inputs_true.dat b/tests/regression_tests/filter_musurface/inputs_true.dat
index 031f62159..6db8543c2 100644
--- a/tests/regression_tests/filter_musurface/inputs_true.dat
+++ b/tests/regression_tests/filter_musurface/inputs_true.dat
@@ -1,20 +1,20 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1">
-      <density units="g/cm3" value="10.0"/>
-      <nuclide ao="1.0" name="U235"/>
+    <material id="1" depletable="true">
+      <density value="10.0" units="g/cm3"/>
+      <nuclide name="U235" ao="1.0"/>
     </material>
     <material id="2">
-      <density units="g/cm3" value="1.0"/>
-      <nuclide ao="1.0" name="Zr90"/>
+      <density value="1.0" units="g/cm3"/>
+      <nuclide name="Zr90" ao="1.0"/>
     </material>
   </materials>
   <geometry>
     <cell id="1" material="1" region="-1" universe="1"/>
     <cell id="2" material="2" region="1 -2" universe="1"/>
-    <surface coeffs="0.0 0.0 1.0" id="1" type="z-cylinder"/>
-    <surface boundary="vacuum" coeffs="0.0 0.0 3.0" id="2" type="z-cylinder"/>
+    <surface id="1" type="z-cylinder" coeffs="0.0 0.0 1.0"/>
+    <surface id="2" type="z-cylinder" boundary="vacuum" coeffs="0.0 0.0 3.0"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
diff --git a/tests/regression_tests/filter_translations/inputs_true.dat b/tests/regression_tests/filter_translations/inputs_true.dat
index 5004c3217..41ae9b6dc 100644
--- a/tests/regression_tests/filter_translations/inputs_true.dat
+++ b/tests/regression_tests/filter_translations/inputs_true.dat
@@ -1,28 +1,28 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1">
-      <density units="g/cm3" value="10.0"/>
-      <nuclide ao="1.0" name="U235"/>
+    <material id="1" depletable="true">
+      <density value="10.0" units="g/cm3"/>
+      <nuclide name="U235" ao="1.0"/>
     </material>
     <material id="2">
-      <density units="g/cm3" value="1.0"/>
-      <nuclide ao="1.0" name="Zr90"/>
+      <density value="1.0" units="g/cm3"/>
+      <nuclide name="Zr90" ao="1.0"/>
     </material>
   </materials>
   <geometry>
     <cell id="1" material="1" region="1 -2 3 -4 10 -9" universe="1"/>
     <cell id="2" material="2" region="(-1 | 2 | -3 | 4) (5 -6 7 -8) 10 -9" universe="1"/>
-    <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane"/>
-    <surface coeffs="5.0" id="2" name="maximum x" type="x-plane"/>
-    <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane"/>
-    <surface coeffs="5.0" id="4" name="maximum y" type="y-plane"/>
-    <surface boundary="reflective" coeffs="-10.0" id="5" name="minimum x" type="x-plane"/>
-    <surface boundary="reflective" coeffs="10.0" id="6" name="maximum x" type="x-plane"/>
-    <surface boundary="reflective" coeffs="-10.0" id="7" name="minimum y" type="y-plane"/>
-    <surface boundary="reflective" coeffs="10.0" id="8" name="maximum y" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="10.0" id="9" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="-10.0" id="10" type="z-plane"/>
+    <surface id="1" name="minimum x" type="x-plane" coeffs="-5.0"/>
+    <surface id="2" name="maximum x" type="x-plane" coeffs="5.0"/>
+    <surface id="3" name="minimum y" type="y-plane" coeffs="-5.0"/>
+    <surface id="4" name="maximum y" type="y-plane" coeffs="5.0"/>
+    <surface id="5" name="minimum x" type="x-plane" boundary="reflective" coeffs="-10.0"/>
+    <surface id="6" name="maximum x" type="x-plane" boundary="reflective" coeffs="10.0"/>
+    <surface id="7" name="minimum y" type="y-plane" boundary="reflective" coeffs="-10.0"/>
+    <surface id="8" name="maximum y" type="y-plane" boundary="reflective" coeffs="10.0"/>
+    <surface id="9" type="z-plane" boundary="vacuum" coeffs="10.0"/>
+    <surface id="10" type="z-plane" boundary="vacuum" coeffs="-10.0"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
@@ -57,10 +57,10 @@
     <filter id="2" type="mesh">
       <bins>2</bins>
     </filter>
-    <filter id="3" translation="10 -5 0" type="mesh">
+    <filter id="3" type="mesh" translation="10 -5 0">
       <bins>3</bins>
     </filter>
-    <filter id="4" translation="10 -5 0" type="mesh">
+    <filter id="4" type="mesh" translation="10 -5 0">
       <bins>4</bins>
     </filter>
     <tally id="1">
diff --git a/tests/regression_tests/fixed_source/inputs_true.dat b/tests/regression_tests/fixed_source/inputs_true.dat
index 0fdb1466e..a36741775 100644
--- a/tests/regression_tests/fixed_source/inputs_true.dat
+++ b/tests/regression_tests/fixed_source/inputs_true.dat
@@ -1,21 +1,21 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1">
-      <density units="g/cc" value="7.5"/>
-      <nuclide ao="1.0" name="O16"/>
-      <nuclide ao="0.0001" name="U238"/>
+    <material id="1" depletable="true">
+      <density value="7.5" units="g/cc"/>
+      <nuclide name="O16" ao="1.0"/>
+      <nuclide name="U238" ao="0.0001"/>
     </material>
   </materials>
   <geometry>
     <cell id="1" material="1" region="-1" universe="1"/>
-    <surface boundary="vacuum" coeffs="0.0 0.0 0.0 10.0" id="1" type="sphere"/>
+    <surface id="1" type="sphere" boundary="vacuum" coeffs="0.0 0.0 0.0 10.0"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
     <particles>100</particles>
     <batches>10</batches>
-    <source particle="neutron" strength="10.0" type="independent">
+    <source type="independent" strength="10.0" particle="neutron">
       <space type="point">
         <parameters>0.0 0.0 0.0</parameters>
       </space>
diff --git a/tests/regression_tests/ifp/inputs_true.dat b/tests/regression_tests/ifp/inputs_true.dat
index a3a3f1d77..2d69b29ab 100644
--- a/tests/regression_tests/ifp/inputs_true.dat
+++ b/tests/regression_tests/ifp/inputs_true.dat
@@ -1,21 +1,21 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1" name="core">
-      <density units="g/cm3" value="16.0"/>
-      <nuclide ao="1.0" name="U235"/>
+    <material id="1" name="core" depletable="true">
+      <density value="16.0" units="g/cm3"/>
+      <nuclide name="U235" ao="1.0"/>
     </material>
   </materials>
   <geometry>
     <cell id="1" material="1" region="-1" universe="1"/>
-    <surface boundary="vacuum" coeffs="0.0 0.0 0.0 10.0" id="1" type="sphere"/>
+    <surface id="1" type="sphere" boundary="vacuum" coeffs="0.0 0.0 0.0 10.0"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
     <particles>1000</particles>
     <batches>20</batches>
     <inactive>5</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>-10.0 -10.0 -10.0 10.0 10.0 10.0</parameters>
       </space>
diff --git a/tests/regression_tests/iso_in_lab/inputs_true.dat b/tests/regression_tests/iso_in_lab/inputs_true.dat
index bb6494ada..adfcf7e51 100644
--- a/tests/regression_tests/iso_in_lab/inputs_true.dat
+++ b/tests/regression_tests/iso_in_lab/inputs_true.dat
@@ -1,44 +1,44 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1" name="UOX fuel">
-      <density units="g/cm3" value="10.062"/>
-      <nuclide ao="4.9476e-06" name="U234"/>
-      <nuclide ao="0.00048218" name="U235"/>
-      <nuclide ao="0.021504" name="U238"/>
-      <nuclide ao="1.0801e-08" name="Xe135"/>
-      <nuclide ao="0.045737" name="O16"/>
+    <material id="1" name="UOX fuel" depletable="true">
+      <density value="10.062" units="g/cm3"/>
+      <nuclide name="U234" ao="4.9476e-06"/>
+      <nuclide name="U235" ao="0.00048218"/>
+      <nuclide name="U238" ao="0.021504"/>
+      <nuclide name="Xe135" ao="1.0801e-08"/>
+      <nuclide name="O16" ao="0.045737"/>
       <isotropic>U234 U235 U238 Xe135 O16</isotropic>
     </material>
     <material id="2" name="Zircaloy">
-      <density units="g/cm3" value="5.77"/>
-      <nuclide ao="0.5145" name="Zr90"/>
-      <nuclide ao="0.1122" name="Zr91"/>
-      <nuclide ao="0.1715" name="Zr92"/>
-      <nuclide ao="0.1738" name="Zr94"/>
-      <nuclide ao="0.028" name="Zr96"/>
+      <density value="5.77" units="g/cm3"/>
+      <nuclide name="Zr90" ao="0.5145"/>
+      <nuclide name="Zr91" ao="0.1122"/>
+      <nuclide name="Zr92" ao="0.1715"/>
+      <nuclide name="Zr94" ao="0.1738"/>
+      <nuclide name="Zr96" ao="0.028"/>
       <isotropic>Zr90 Zr91 Zr92 Zr94 Zr96</isotropic>
     </material>
     <material id="3" name="Cold borated water">
-      <density units="atom/b-cm" value="0.07416"/>
-      <nuclide ao="2.0" name="H1"/>
-      <nuclide ao="1.0" name="O16"/>
-      <nuclide ao="0.000649" name="B10"/>
-      <nuclide ao="0.002689" name="B11"/>
+      <density value="0.07416" units="atom/b-cm"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
+      <nuclide name="B10" ao="0.000649"/>
+      <nuclide name="B11" ao="0.002689"/>
       <sab name="c_H_in_H2O"/>
       <isotropic>H1 O16 B10 B11</isotropic>
     </material>
     <material id="4" name="Hot borated water">
-      <density units="atom/b-cm" value="0.06614"/>
-      <nuclide ao="2.0" name="H1"/>
-      <nuclide ao="1.0" name="O16"/>
-      <nuclide ao="0.000649" name="B10"/>
-      <nuclide ao="0.002689" name="B11"/>
+      <density value="0.06614" units="atom/b-cm"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
+      <nuclide name="B10" ao="0.000649"/>
+      <nuclide name="B11" ao="0.002689"/>
       <sab name="c_H_in_H2O"/>
       <isotropic>H1 O16 B10 B11</isotropic>
     </material>
     <material id="5" name="Reactor pressure vessel steel">
-      <density units="g/cm3" value="7.9"/>
+      <density value="7.9" units="g/cm3"/>
       <nuclide name="Fe54" wo="0.05437098"/>
       <nuclide name="Fe56" wo="0.88500663"/>
       <nuclide name="Fe57" wo="0.0208008"/>
@@ -52,7 +52,7 @@
       <isotropic>Fe54 Fe56 Fe57 Fe58 Ni58 Ni60 Mn55 Cr52 C0 Cu63</isotropic>
     </material>
     <material id="6" name="Lower radial reflector">
-      <density units="g/cm3" value="4.32"/>
+      <density value="4.32" units="g/cm3"/>
       <nuclide name="H1" wo="0.0095661"/>
       <nuclide name="O16" wo="0.0759107"/>
       <nuclide name="B10" wo="3.08409e-05"/>
@@ -68,7 +68,7 @@
       <isotropic>H1 O16 B10 B11 Fe54 Fe56 Fe57 Fe58 Ni58 Mn55 Cr52</isotropic>
     </material>
     <material id="7" name="Upper radial reflector / Top plate region">
-      <density units="g/cm3" value="4.28"/>
+      <density value="4.28" units="g/cm3"/>
       <nuclide name="H1" wo="0.0086117"/>
       <nuclide name="O16" wo="0.0683369"/>
       <nuclide name="B10" wo="2.77638e-05"/>
@@ -84,7 +84,7 @@
       <isotropic>H1 O16 B10 B11 Fe54 Fe56 Fe57 Fe58 Ni58 Mn55 Cr52</isotropic>
     </material>
     <material id="8" name="Bottom plate region">
-      <density units="g/cm3" value="7.184"/>
+      <density value="7.184" units="g/cm3"/>
       <nuclide name="H1" wo="0.0011505"/>
       <nuclide name="O16" wo="0.0091296"/>
       <nuclide name="B10" wo="3.70915e-06"/>
@@ -100,7 +100,7 @@
       <isotropic>H1 O16 B10 B11 Fe54 Fe56 Fe57 Fe58 Ni58 Mn55 Cr52</isotropic>
     </material>
     <material id="9" name="Bottom nozzle region">
-      <density units="g/cm3" value="2.53"/>
+      <density value="2.53" units="g/cm3"/>
       <nuclide name="H1" wo="0.0245014"/>
       <nuclide name="O16" wo="0.1944274"/>
       <nuclide name="B10" wo="7.89917e-05"/>
@@ -116,7 +116,7 @@
       <isotropic>H1 O16 B10 B11 Fe54 Fe56 Fe57 Fe58 Ni58 Mn55 Cr52</isotropic>
     </material>
     <material id="10" name="Top nozzle region">
-      <density units="g/cm3" value="1.746"/>
+      <density value="1.746" units="g/cm3"/>
       <nuclide name="H1" wo="0.035887"/>
       <nuclide name="O16" wo="0.2847761"/>
       <nuclide name="B10" wo="0.000115699"/>
@@ -132,7 +132,7 @@
       <isotropic>H1 O16 B10 B11 Fe54 Fe56 Fe57 Fe58 Ni58 Mn55 Cr52</isotropic>
     </material>
     <material id="11" name="Top of fuel assemblies">
-      <density units="g/cm3" value="3.044"/>
+      <density value="3.044" units="g/cm3"/>
       <nuclide name="H1" wo="0.0162913"/>
       <nuclide name="O16" wo="0.1292776"/>
       <nuclide name="B10" wo="5.25228e-05"/>
@@ -146,7 +146,7 @@
       <isotropic>H1 O16 B10 B11 Zr90 Zr91 Zr92 Zr94 Zr96</isotropic>
     </material>
     <material id="12" name="Bottom of fuel assemblies">
-      <density units="g/cm3" value="1.762"/>
+      <density value="1.762" units="g/cm3"/>
       <nuclide name="H1" wo="0.0292856"/>
       <nuclide name="O16" wo="0.2323919"/>
       <nuclide name="B10" wo="9.44159e-05"/>
@@ -161,8 +161,8 @@
     </material>
   </materials>
   <geometry>
-    <cell fill="200" id="1" region="-6 34 -35" universe="0"/>
-    <cell fill="201" id="2" region="-6 35 -36" universe="0"/>
+    <cell id="1" fill="200" region="-6 34 -35" universe="0"/>
+    <cell id="2" fill="201" region="-6 35 -36" universe="0"/>
     <cell id="3" material="8" region="-7 31 -32" universe="0"/>
     <cell id="4" material="9" region="-5 32 -33" universe="0"/>
     <cell id="5" material="12" region="-5 33 -34" universe="0"/>
@@ -186,9 +186,9 @@
     <cell id="31" material="2" region="3 -4" universe="4"/>
     <cell id="32" material="4" region="4" universe="4"/>
     <cell id="50" material="3" region="34 -35" universe="5"/>
-    <cell fill="100" id="60" region="34 -35" universe="6"/>
+    <cell id="60" fill="100" region="34 -35" universe="6"/>
     <cell id="70" material="4" region="35 -36" universe="7"/>
-    <cell fill="101" id="80" region="35 -36" universe="8"/>
+    <cell id="80" fill="101" region="35 -36" universe="8"/>
     <lattice id="100" name="Fuel assembly (lower half)">
       <pitch>1.26 1.26</pitch>
       <dimension>17 17</dimension>
@@ -289,30 +289,30 @@
 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 
 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 </universes>
     </lattice>
-    <surface coeffs="0.0 0.0 0.41" id="1" type="z-cylinder"/>
-    <surface coeffs="0.0 0.0 0.475" id="2" type="z-cylinder"/>
-    <surface coeffs="0.0 0.0 0.56" id="3" type="z-cylinder"/>
-    <surface coeffs="0.0 0.0 0.62" id="4" type="z-cylinder"/>
-    <surface coeffs="0.0 0.0 187.6" id="5" type="z-cylinder"/>
-    <surface coeffs="0.0 0.0 209.0" id="6" type="z-cylinder"/>
-    <surface coeffs="0.0 0.0 229.0" id="7" type="z-cylinder"/>
-    <surface boundary="vacuum" coeffs="0.0 0.0 249.0" id="8" type="z-cylinder"/>
-    <surface boundary="vacuum" coeffs="-229.0" id="31" type="z-plane"/>
-    <surface coeffs="-199.0" id="32" type="z-plane"/>
-    <surface coeffs="-193.0" id="33" type="z-plane"/>
-    <surface coeffs="-183.0" id="34" type="z-plane"/>
-    <surface coeffs="0.0" id="35" type="z-plane"/>
-    <surface coeffs="183.0" id="36" type="z-plane"/>
-    <surface coeffs="203.0" id="37" type="z-plane"/>
-    <surface coeffs="215.0" id="38" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="223.0" id="39" type="z-plane"/>
+    <surface id="1" type="z-cylinder" coeffs="0.0 0.0 0.41"/>
+    <surface id="2" type="z-cylinder" coeffs="0.0 0.0 0.475"/>
+    <surface id="3" type="z-cylinder" coeffs="0.0 0.0 0.56"/>
+    <surface id="4" type="z-cylinder" coeffs="0.0 0.0 0.62"/>
+    <surface id="5" type="z-cylinder" coeffs="0.0 0.0 187.6"/>
+    <surface id="6" type="z-cylinder" coeffs="0.0 0.0 209.0"/>
+    <surface id="7" type="z-cylinder" coeffs="0.0 0.0 229.0"/>
+    <surface id="8" type="z-cylinder" boundary="vacuum" coeffs="0.0 0.0 249.0"/>
+    <surface id="31" type="z-plane" boundary="vacuum" coeffs="-229.0"/>
+    <surface id="32" type="z-plane" coeffs="-199.0"/>
+    <surface id="33" type="z-plane" coeffs="-193.0"/>
+    <surface id="34" type="z-plane" coeffs="-183.0"/>
+    <surface id="35" type="z-plane" coeffs="0.0"/>
+    <surface id="36" type="z-plane" coeffs="183.0"/>
+    <surface id="37" type="z-plane" coeffs="203.0"/>
+    <surface id="38" type="z-plane" coeffs="215.0"/>
+    <surface id="39" type="z-plane" boundary="vacuum" coeffs="223.0"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
     <particles>100</particles>
     <batches>10</batches>
     <inactive>5</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>-160 -160 -183 160 160 183</parameters>
       </space>
diff --git a/tests/regression_tests/lattice_distribmat/False/inputs_true.dat b/tests/regression_tests/lattice_distribmat/False/inputs_true.dat
index d39a10369..783989057 100644
--- a/tests/regression_tests/lattice_distribmat/False/inputs_true.dat
+++ b/tests/regression_tests/lattice_distribmat/False/inputs_true.dat
@@ -1,26 +1,26 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1" name="UO2">
-      <density units="g/cm3" value="10.0"/>
-      <nuclide ao="1.0" name="U235"/>
-      <nuclide ao="2.0" name="O16"/>
+    <material id="1" name="UO2" depletable="true">
+      <density value="10.0" units="g/cm3"/>
+      <nuclide name="U235" ao="1.0"/>
+      <nuclide name="O16" ao="2.0"/>
     </material>
     <material id="2" name="light water">
-      <density units="g/cm3" value="1.0"/>
-      <nuclide ao="2.0" name="H1"/>
-      <nuclide ao="1.0" name="O16"/>
+      <density value="1.0" units="g/cm3"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
       <sab name="c_H_in_H2O"/>
     </material>
   </materials>
   <geometry>
     <cell id="1" material="1" region="-1" universe="1"/>
     <cell id="2" material="2" region="1" universe="1"/>
-    <cell fill="2" id="3" region="2 -3 4 -5" universe="6"/>
-    <cell fill="3" id="4" region="2 -3 5 -9" universe="6"/>
-    <cell fill="4" id="5" region="3 -11 4 -5" universe="6"/>
-    <cell fill="5" id="6" region="3 -11 5 -9" universe="6"/>
-    <cell fill="6" id="7" region="18 -19 20 -21" universe="7"/>
+    <cell id="3" fill="2" region="2 -3 4 -5" universe="6"/>
+    <cell id="4" fill="3" region="2 -3 5 -9" universe="6"/>
+    <cell id="5" fill="4" region="3 -11 4 -5" universe="6"/>
+    <cell id="6" fill="5" region="3 -11 5 -9" universe="6"/>
+    <cell id="7" fill="6" region="18 -19 20 -21" universe="7"/>
     <lattice id="2">
       <pitch>1.0 1.0</pitch>
       <outer>1</outer>
@@ -53,17 +53,17 @@
       <universes>
 1 </universes>
     </lattice>
-    <surface coeffs="0.0 0.0 0.4" id="1" type="z-cylinder"/>
-    <surface coeffs="-1.0" id="2" name="minimum x" type="x-plane"/>
-    <surface coeffs="0.0" id="3" name="maximum x" type="x-plane"/>
-    <surface coeffs="-1.0" id="4" name="minimum y" type="y-plane"/>
-    <surface coeffs="0.0" id="5" name="maximum y" type="y-plane"/>
-    <surface coeffs="1.0" id="9" name="maximum y" type="y-plane"/>
-    <surface coeffs="1.0" id="11" name="maximum x" type="x-plane"/>
-    <surface boundary="reflective" coeffs="-1.0" id="18" name="minimum x" type="x-plane"/>
-    <surface boundary="reflective" coeffs="1.0" id="19" name="maximum x" type="x-plane"/>
-    <surface boundary="reflective" coeffs="-1.0" id="20" name="minimum y" type="y-plane"/>
-    <surface boundary="reflective" coeffs="1.0" id="21" name="maximum y" type="y-plane"/>
+    <surface id="1" type="z-cylinder" coeffs="0.0 0.0 0.4"/>
+    <surface id="2" name="minimum x" type="x-plane" coeffs="-1.0"/>
+    <surface id="3" name="maximum x" type="x-plane" coeffs="0.0"/>
+    <surface id="4" name="minimum y" type="y-plane" coeffs="-1.0"/>
+    <surface id="5" name="maximum y" type="y-plane" coeffs="0.0"/>
+    <surface id="9" name="maximum y" type="y-plane" coeffs="1.0"/>
+    <surface id="11" name="maximum x" type="x-plane" coeffs="1.0"/>
+    <surface id="18" name="minimum x" type="x-plane" boundary="reflective" coeffs="-1.0"/>
+    <surface id="19" name="maximum x" type="x-plane" boundary="reflective" coeffs="1.0"/>
+    <surface id="20" name="minimum y" type="y-plane" boundary="reflective" coeffs="-1.0"/>
+    <surface id="21" name="maximum y" type="y-plane" boundary="reflective" coeffs="1.0"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
diff --git a/tests/regression_tests/lattice_distribmat/True/inputs_true.dat b/tests/regression_tests/lattice_distribmat/True/inputs_true.dat
index 450306a0c..aec3a5400 100644
--- a/tests/regression_tests/lattice_distribmat/True/inputs_true.dat
+++ b/tests/regression_tests/lattice_distribmat/True/inputs_true.dat
@@ -1,59 +1,59 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1" name="UO2">
-      <density units="g/cm3" value="10.0"/>
-      <nuclide ao="1.0" name="U235"/>
-      <nuclide ao="2.0" name="O16"/>
+    <material id="1" name="UO2" depletable="true">
+      <density value="10.0" units="g/cm3"/>
+      <nuclide name="U235" ao="1.0"/>
+      <nuclide name="O16" ao="2.0"/>
     </material>
-    <material depletable="true" id="2" name="UO2">
-      <density units="g/cm3" value="10.0"/>
-      <nuclide ao="1.0" name="U235"/>
-      <nuclide ao="2.0" name="O16"/>
+    <material id="2" name="UO2" depletable="true">
+      <density value="10.0" units="g/cm3"/>
+      <nuclide name="U235" ao="1.0"/>
+      <nuclide name="O16" ao="2.0"/>
     </material>
-    <material depletable="true" id="3" name="UO2">
-      <density units="g/cm3" value="10.0"/>
-      <nuclide ao="1.0" name="U235"/>
-      <nuclide ao="2.0" name="O16"/>
+    <material id="3" name="UO2" depletable="true">
+      <density value="10.0" units="g/cm3"/>
+      <nuclide name="U235" ao="1.0"/>
+      <nuclide name="O16" ao="2.0"/>
     </material>
-    <material depletable="true" id="4" name="UO2">
-      <density units="g/cm3" value="10.0"/>
-      <nuclide ao="1.0" name="U235"/>
-      <nuclide ao="2.0" name="O16"/>
+    <material id="4" name="UO2" depletable="true">
+      <density value="10.0" units="g/cm3"/>
+      <nuclide name="U235" ao="1.0"/>
+      <nuclide name="O16" ao="2.0"/>
     </material>
     <material id="5" name="light water">
-      <density units="g/cm3" value="1.0"/>
-      <nuclide ao="2.0" name="H1"/>
-      <nuclide ao="1.0" name="O16"/>
+      <density value="1.0" units="g/cm3"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
       <sab name="c_H_in_H2O"/>
     </material>
     <material id="6" name="light water">
-      <density units="g/cm3" value="1.0"/>
-      <nuclide ao="2.0" name="H1"/>
-      <nuclide ao="1.0" name="O16"/>
+      <density value="1.0" units="g/cm3"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
       <sab name="c_H_in_H2O"/>
     </material>
     <material id="7" name="light water">
-      <density units="g/cm3" value="1.0"/>
-      <nuclide ao="2.0" name="H1"/>
-      <nuclide ao="1.0" name="O16"/>
+      <density value="1.0" units="g/cm3"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
       <sab name="c_H_in_H2O"/>
     </material>
     <material id="8" name="light water">
-      <density units="g/cm3" value="1.0"/>
-      <nuclide ao="2.0" name="H1"/>
-      <nuclide ao="1.0" name="O16"/>
+      <density value="1.0" units="g/cm3"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
       <sab name="c_H_in_H2O"/>
     </material>
   </materials>
   <geometry>
     <cell id="8" material="1 2 3 4" region="-6" universe="8"/>
     <cell id="9" material="5 6 7 8" region="6" universe="8"/>
-    <cell fill="9" id="10" region="7 -8 10 -12" universe="13"/>
-    <cell fill="10" id="11" region="7 -8 12 -16" universe="13"/>
-    <cell fill="11" id="12" region="8 -22 10 -12" universe="13"/>
-    <cell fill="12" id="13" region="8 -22 12 -16" universe="13"/>
-    <cell fill="13" id="14" region="29 -30 31 -32" universe="14"/>
+    <cell id="10" fill="9" region="7 -8 10 -12" universe="13"/>
+    <cell id="11" fill="10" region="7 -8 12 -16" universe="13"/>
+    <cell id="12" fill="11" region="8 -22 10 -12" universe="13"/>
+    <cell id="13" fill="12" region="8 -22 12 -16" universe="13"/>
+    <cell id="14" fill="13" region="29 -30 31 -32" universe="14"/>
     <lattice id="9">
       <pitch>1.0 1.0</pitch>
       <outer>8</outer>
@@ -86,17 +86,17 @@
       <universes>
 8 </universes>
     </lattice>
-    <surface coeffs="0.0 0.0 0.4" id="6" type="z-cylinder"/>
-    <surface coeffs="-1.0" id="7" name="minimum x" type="x-plane"/>
-    <surface coeffs="0.0" id="8" name="maximum x" type="x-plane"/>
-    <surface coeffs="-1.0" id="10" name="minimum y" type="y-plane"/>
-    <surface coeffs="0.0" id="12" name="maximum y" type="y-plane"/>
-    <surface coeffs="1.0" id="16" name="maximum y" type="y-plane"/>
-    <surface coeffs="1.0" id="22" name="maximum x" type="x-plane"/>
-    <surface boundary="reflective" coeffs="-1.0" id="29" name="minimum x" type="x-plane"/>
-    <surface boundary="reflective" coeffs="1.0" id="30" name="maximum x" type="x-plane"/>
-    <surface boundary="reflective" coeffs="-1.0" id="31" name="minimum y" type="y-plane"/>
-    <surface boundary="reflective" coeffs="1.0" id="32" name="maximum y" type="y-plane"/>
+    <surface id="6" type="z-cylinder" coeffs="0.0 0.0 0.4"/>
+    <surface id="7" name="minimum x" type="x-plane" coeffs="-1.0"/>
+    <surface id="8" name="maximum x" type="x-plane" coeffs="0.0"/>
+    <surface id="10" name="minimum y" type="y-plane" coeffs="-1.0"/>
+    <surface id="12" name="maximum y" type="y-plane" coeffs="0.0"/>
+    <surface id="16" name="maximum y" type="y-plane" coeffs="1.0"/>
+    <surface id="22" name="maximum x" type="x-plane" coeffs="1.0"/>
+    <surface id="29" name="minimum x" type="x-plane" boundary="reflective" coeffs="-1.0"/>
+    <surface id="30" name="maximum x" type="x-plane" boundary="reflective" coeffs="1.0"/>
+    <surface id="31" name="minimum y" type="y-plane" boundary="reflective" coeffs="-1.0"/>
+    <surface id="32" name="maximum y" type="y-plane" boundary="reflective" coeffs="1.0"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
diff --git a/tests/regression_tests/lattice_hex_coincident/inputs_true.dat b/tests/regression_tests/lattice_hex_coincident/inputs_true.dat
index ac82de0ad..fafc03da1 100644
--- a/tests/regression_tests/lattice_hex_coincident/inputs_true.dat
+++ b/tests/regression_tests/lattice_hex_coincident/inputs_true.dat
@@ -1,45 +1,45 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1">
+    <material id="1" depletable="true">
       <density units="sum"/>
-      <nuclide ao="0.0049817" name="U235"/>
+      <nuclide name="U235" ao="0.0049817"/>
     </material>
     <material id="2">
-      <density units="atom/b-cm" value="0.017742"/>
-      <nuclide ao="1.0" name="C0"/>
+      <density value="0.017742" units="atom/b-cm"/>
+      <nuclide name="C0" ao="1.0"/>
       <sab name="c_Graphite"/>
     </material>
     <material id="3" name="Lead">
-      <density units="g/cm3" value="10.32"/>
-      <nuclide ao="0.014" name="Pb204"/>
-      <nuclide ao="0.241" name="Pb206"/>
-      <nuclide ao="0.221" name="Pb207"/>
-      <nuclide ao="0.524" name="Pb208"/>
+      <density value="10.32" units="g/cm3"/>
+      <nuclide name="Pb204" ao="0.014"/>
+      <nuclide name="Pb206" ao="0.241"/>
+      <nuclide name="Pb207" ao="0.221"/>
+      <nuclide name="Pb208" ao="0.524"/>
     </material>
     <material id="4">
-      <density units="atom/b-cm" value="0.00054464"/>
-      <nuclide ao="1.0" name="He4"/>
+      <density value="0.00054464" units="atom/b-cm"/>
+      <nuclide name="He4" ao="1.0"/>
     </material>
     <material id="5" name="Zirc4">
       <density units="sum"/>
-      <nuclide ao="0.02217" name="Zr90"/>
-      <nuclide ao="0.004781" name="Zr91"/>
-      <nuclide ao="0.007228" name="Zr92"/>
-      <nuclide ao="0.007169" name="Zr94"/>
-      <nuclide ao="0.001131" name="Zr96"/>
+      <nuclide name="Zr90" ao="0.02217"/>
+      <nuclide name="Zr91" ao="0.004781"/>
+      <nuclide name="Zr92" ao="0.007228"/>
+      <nuclide name="Zr94" ao="0.007169"/>
+      <nuclide name="Zr96" ao="0.001131"/>
     </material>
   </materials>
   <geometry>
     <cell id="1" material="1" region="-1 2 -3" universe="1"/>
     <cell id="2" material="2" region="1" universe="1"/>
-    <cell id="3" material="4" name="coolant" region="-4 2 -3" universe="2"/>
-    <cell id="4" material="5" name="zirconium_shell" region="4 -5 2 -3" universe="2"/>
-    <cell id="5" material="3" name="lead_shell" region="5 -6 2 -3" universe="2"/>
-    <cell id="6" material="2" name="matrix coolant surround" region="6 2 -3" universe="2"/>
+    <cell id="3" name="coolant" material="4" region="-4 2 -3" universe="2"/>
+    <cell id="4" name="zirconium_shell" material="5" region="4 -5 2 -3" universe="2"/>
+    <cell id="5" name="lead_shell" material="3" region="5 -6 2 -3" universe="2"/>
+    <cell id="6" name="matrix coolant surround" material="2" region="6 2 -3" universe="2"/>
     <cell id="7" material="2" universe="3"/>
-    <cell fill="4" id="8" name="container cell" region="-7 8 -9 -12 10 11 2 -3" universe="5"/>
-    <hex_lattice id="4" n_rings="2" name="regular fuel assembly">
+    <cell id="8" name="container cell" fill="4" region="-7 8 -9 -12 10 11 2 -3" universe="5"/>
+    <hex_lattice id="4" name="regular fuel assembly" n_rings="2">
       <pitch>1.4</pitch>
       <outer>3</outer>
       <center>0.0 0.0</center>
@@ -50,25 +50,25 @@
 2 2
  2</universes>
     </hex_lattice>
-    <surface coeffs="0.0 0.0 0.7" id="1" type="z-cylinder"/>
-    <surface boundary="reflective" coeffs="0.0" id="2" type="z-plane"/>
-    <surface boundary="reflective" coeffs="10.0" id="3" type="z-plane"/>
-    <surface coeffs="0.0 0.0 0.293" id="4" type="z-cylinder"/>
-    <surface coeffs="0.0 0.0 0.35" id="5" type="z-cylinder"/>
-    <surface coeffs="0.0 0.0 0.352" id="6" type="z-cylinder"/>
-    <surface boundary="reflective" coeffs="1.4" id="7" type="y-plane"/>
-    <surface boundary="reflective" coeffs="-1.4" id="8" type="y-plane"/>
-    <surface boundary="reflective" coeffs="1.7320508075688772 1.0 0.0 2.8" id="9" type="plane"/>
-    <surface boundary="reflective" coeffs="-1.7320508075688772 1.0 0.0 -2.8" id="10" type="plane"/>
-    <surface boundary="reflective" coeffs="1.7320508075688772 1.0 0.0 -2.8" id="11" type="plane"/>
-    <surface boundary="reflective" coeffs="-1.7320508075688772 1.0 0.0 2.8" id="12" type="plane"/>
+    <surface id="1" type="z-cylinder" coeffs="0.0 0.0 0.7"/>
+    <surface id="2" type="z-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="3" type="z-plane" boundary="reflective" coeffs="10.0"/>
+    <surface id="4" type="z-cylinder" coeffs="0.0 0.0 0.293"/>
+    <surface id="5" type="z-cylinder" coeffs="0.0 0.0 0.35"/>
+    <surface id="6" type="z-cylinder" coeffs="0.0 0.0 0.352"/>
+    <surface id="7" type="y-plane" boundary="reflective" coeffs="1.4"/>
+    <surface id="8" type="y-plane" boundary="reflective" coeffs="-1.4"/>
+    <surface id="9" type="plane" boundary="reflective" coeffs="1.7320508075688772 1.0 0.0 2.8"/>
+    <surface id="10" type="plane" boundary="reflective" coeffs="-1.7320508075688772 1.0 0.0 -2.8"/>
+    <surface id="11" type="plane" boundary="reflective" coeffs="1.7320508075688772 1.0 0.0 -2.8"/>
+    <surface id="12" type="plane" boundary="reflective" coeffs="-1.7320508075688772 1.0 0.0 2.8"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
     <particles>1000</particles>
     <batches>5</batches>
     <inactive>2</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>-0.9899494936611666 -0.9899494936611666 0.0 0.9899494936611666 0.9899494936611666 10.0</parameters>
       </space>
diff --git a/tests/regression_tests/lattice_hex_x/inputs_true.dat b/tests/regression_tests/lattice_hex_x/inputs_true.dat
index 252fbfc0b..b6536c6a8 100644
--- a/tests/regression_tests/lattice_hex_x/inputs_true.dat
+++ b/tests/regression_tests/lattice_hex_x/inputs_true.dat
@@ -1,32 +1,32 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1" name="UO2">
+    <material id="1" name="UO2" depletable="true">
       <density units="sum"/>
-      <nuclide ao="0.0008737" name="U235"/>
-      <nuclide ao="0.018744" name="U238"/>
-      <nuclide ao="0.039235" name="O16"/>
+      <nuclide name="U235" ao="0.0008737"/>
+      <nuclide name="U238" ao="0.018744"/>
+      <nuclide name="O16" ao="0.039235"/>
     </material>
     <material id="2" name="borated H2O">
       <density units="sum"/>
-      <nuclide ao="0.06694" name="H1"/>
-      <nuclide ao="0.03347" name="O16"/>
-      <nuclide ao="6.6262e-06" name="B10"/>
-      <nuclide ao="2.6839e-05" name="B11"/>
+      <nuclide name="H1" ao="0.06694"/>
+      <nuclide name="O16" ao="0.03347"/>
+      <nuclide name="B10" ao="6.6262e-06"/>
+      <nuclide name="B11" ao="2.6839e-05"/>
     </material>
     <material id="3" name="pellet B4C">
       <density units="sum"/>
-      <nuclide ao="0.01966" name="C0"/>
-      <nuclide ao="4.7344e-06" name="B11"/>
-      <nuclide ao="1.9177e-05" name="B10"/>
+      <nuclide name="C0" ao="0.01966"/>
+      <nuclide name="B11" ao="4.7344e-06"/>
+      <nuclide name="B10" ao="1.9177e-05"/>
     </material>
     <material id="4" name="Zirc4">
       <density units="sum"/>
-      <nuclide ao="0.021763349999999997" name="Zr90"/>
-      <nuclide ao="0.00474606" name="Zr91"/>
-      <nuclide ao="0.00725445" name="Zr92"/>
-      <nuclide ao="0.00735174" name="Zr94"/>
-      <nuclide ao="0.0011844" name="Zr96"/>
+      <nuclide name="Zr90" ao="0.021763349999999997"/>
+      <nuclide name="Zr91" ao="0.00474606"/>
+      <nuclide name="Zr92" ao="0.00725445"/>
+      <nuclide name="Zr94" ao="0.00735174"/>
+      <nuclide name="Zr96" ao="0.0011844"/>
     </material>
   </materials>
   <geometry>
@@ -42,8 +42,8 @@
     <cell id="10" material="4" region="-8 7" universe="3"/>
     <cell id="11" material="2" region="8" universe="3"/>
     <cell id="12" material="2" universe="4"/>
-    <cell fill="6" id="13" name="container assembly cell" region="-11 12 -13 -16 14 15 9 -10" universe="5"/>
-    <hex_lattice id="6" n_axial="2" n_rings="11" name="regular fuel assembly" orientation="x">
+    <cell id="13" name="container assembly cell" fill="6" region="-11 12 -13 -16 14 15 9 -10" universe="5"/>
+    <hex_lattice id="6" name="regular fuel assembly" n_rings="11" orientation="x" n_axial="2">
       <pitch>1.235 5.0</pitch>
       <outer>4</outer>
       <center>0.0 0.0 5.0</center>
@@ -91,29 +91,29 @@
          1 1 1 1 1 1 1 1 1 1 1 1
           1 1 1 1 1 1 1 1 1 1 1</universes>
     </hex_lattice>
-    <surface coeffs="0.0 0.0 0.386" id="1" type="z-cylinder"/>
-    <surface coeffs="0.0 0.0 0.4582" id="2" type="z-cylinder"/>
-    <surface coeffs="0.0 0.0 0.45" id="3" type="z-cylinder"/>
-    <surface coeffs="0.0 0.0 0.5177" id="4" type="z-cylinder"/>
-    <surface coeffs="0.0 0.0 0.35" id="5" type="z-cylinder"/>
-    <surface coeffs="0.0 0.0 0.41" id="6" type="z-cylinder"/>
-    <surface coeffs="0.0 0.0 0.545" id="7" type="z-cylinder"/>
-    <surface coeffs="0.0 0.0 0.6323" id="8" type="z-cylinder"/>
-    <surface boundary="reflective" coeffs="0.0" id="9" type="z-plane"/>
-    <surface boundary="reflective" coeffs="10.0" id="10" type="z-plane"/>
-    <surface boundary="reflective" coeffs="11.8" id="11" type="y-plane"/>
-    <surface boundary="reflective" coeffs="-11.8" id="12" type="y-plane"/>
-    <surface boundary="reflective" coeffs="1.7320508075688772 1.0 0.0 23.6" id="13" type="plane"/>
-    <surface boundary="reflective" coeffs="-1.7320508075688772 1.0 0.0 -23.6" id="14" type="plane"/>
-    <surface boundary="reflective" coeffs="1.7320508075688772 1.0 0.0 -23.6" id="15" type="plane"/>
-    <surface boundary="reflective" coeffs="-1.7320508075688772 1.0 0.0 23.6" id="16" type="plane"/>
+    <surface id="1" type="z-cylinder" coeffs="0.0 0.0 0.386"/>
+    <surface id="2" type="z-cylinder" coeffs="0.0 0.0 0.4582"/>
+    <surface id="3" type="z-cylinder" coeffs="0.0 0.0 0.45"/>
+    <surface id="4" type="z-cylinder" coeffs="0.0 0.0 0.5177"/>
+    <surface id="5" type="z-cylinder" coeffs="0.0 0.0 0.35"/>
+    <surface id="6" type="z-cylinder" coeffs="0.0 0.0 0.41"/>
+    <surface id="7" type="z-cylinder" coeffs="0.0 0.0 0.545"/>
+    <surface id="8" type="z-cylinder" coeffs="0.0 0.0 0.6323"/>
+    <surface id="9" type="z-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="10" type="z-plane" boundary="reflective" coeffs="10.0"/>
+    <surface id="11" type="y-plane" boundary="reflective" coeffs="11.8"/>
+    <surface id="12" type="y-plane" boundary="reflective" coeffs="-11.8"/>
+    <surface id="13" type="plane" boundary="reflective" coeffs="1.7320508075688772 1.0 0.0 23.6"/>
+    <surface id="14" type="plane" boundary="reflective" coeffs="-1.7320508075688772 1.0 0.0 -23.6"/>
+    <surface id="15" type="plane" boundary="reflective" coeffs="1.7320508075688772 1.0 0.0 -23.6"/>
+    <surface id="16" type="plane" boundary="reflective" coeffs="-1.7320508075688772 1.0 0.0 23.6"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
     <particles>1000</particles>
     <batches>10</batches>
     <inactive>5</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>-13.62546635287517 -13.62546635287517 0.0 13.62546635287517 13.62546635287517 10.0</parameters>
       </space>
diff --git a/tests/regression_tests/lattice_multiple/inputs_true.dat b/tests/regression_tests/lattice_multiple/inputs_true.dat
index b249d97c4..06abef582 100644
--- a/tests/regression_tests/lattice_multiple/inputs_true.dat
+++ b/tests/regression_tests/lattice_multiple/inputs_true.dat
@@ -1,15 +1,15 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1" name="UO2">
-      <density units="g/cm3" value="10.0"/>
-      <nuclide ao="1.0" name="U235"/>
-      <nuclide ao="2.0" name="O16"/>
+    <material id="1" name="UO2" depletable="true">
+      <density value="10.0" units="g/cm3"/>
+      <nuclide name="U235" ao="1.0"/>
+      <nuclide name="O16" ao="2.0"/>
     </material>
     <material id="2" name="light water">
-      <density units="g/cm3" value="1.0"/>
-      <nuclide ao="2.0" name="H1"/>
-      <nuclide ao="1.0" name="O16"/>
+      <density value="1.0" units="g/cm3"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
       <sab name="c_H_in_H2O"/>
     </material>
   </materials>
@@ -18,8 +18,8 @@
     <cell id="2" material="2" region="1" universe="1"/>
     <cell id="3" material="1" region="-2" universe="2"/>
     <cell id="4" material="2" region="2" universe="2"/>
-    <cell fill="3" id="5" universe="4"/>
-    <cell fill="5" id="6" region="3 -4 5 -6" universe="6"/>
+    <cell id="5" fill="3" universe="4"/>
+    <cell id="6" fill="5" region="3 -4 5 -6" universe="6"/>
     <lattice id="3">
       <pitch>1.2 1.2</pitch>
       <outer>1</outer>
@@ -37,12 +37,12 @@
 4 4 
 4 4 </universes>
     </lattice>
-    <surface coeffs="0.0 0.0 0.4" id="1" type="z-cylinder"/>
-    <surface coeffs="0.0 0.0 0.5" id="2" type="z-cylinder"/>
-    <surface boundary="reflective" coeffs="-2.4" id="3" name="minimum x" type="x-plane"/>
-    <surface boundary="reflective" coeffs="2.4" id="4" name="maximum x" type="x-plane"/>
-    <surface boundary="reflective" coeffs="-2.4" id="5" name="minimum y" type="y-plane"/>
-    <surface boundary="reflective" coeffs="2.4" id="6" name="maximum y" type="y-plane"/>
+    <surface id="1" type="z-cylinder" coeffs="0.0 0.0 0.4"/>
+    <surface id="2" type="z-cylinder" coeffs="0.0 0.0 0.5"/>
+    <surface id="3" name="minimum x" type="x-plane" boundary="reflective" coeffs="-2.4"/>
+    <surface id="4" name="maximum x" type="x-plane" boundary="reflective" coeffs="2.4"/>
+    <surface id="5" name="minimum y" type="y-plane" boundary="reflective" coeffs="-2.4"/>
+    <surface id="6" name="maximum y" type="y-plane" boundary="reflective" coeffs="2.4"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
diff --git a/tests/regression_tests/lattice_rotated/inputs_true.dat b/tests/regression_tests/lattice_rotated/inputs_true.dat
index 1b7c74870..e53b93f93 100644
--- a/tests/regression_tests/lattice_rotated/inputs_true.dat
+++ b/tests/regression_tests/lattice_rotated/inputs_true.dat
@@ -1,18 +1,18 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1">
-      <density units="g/cm3" value="10.0"/>
-      <nuclide ao="1.0" name="U235"/>
+    <material id="1" depletable="true">
+      <density value="10.0" units="g/cm3"/>
+      <nuclide name="U235" ao="1.0"/>
     </material>
-    <material depletable="true" id="2">
-      <density units="g/cm3" value="10.0"/>
-      <nuclide ao="1.0" name="U238"/>
+    <material id="2" depletable="true">
+      <density value="10.0" units="g/cm3"/>
+      <nuclide name="U238" ao="1.0"/>
     </material>
     <material id="3">
-      <density units="g/cm3" value="1.0"/>
-      <nuclide ao="2.0" name="H1"/>
-      <nuclide ao="1.0" name="O16"/>
+      <density value="1.0" units="g/cm3"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
       <sab name="c_H_in_H2O"/>
     </material>
   </materials>
@@ -22,8 +22,8 @@
     <cell id="3" material="2" region="-2" universe="2"/>
     <cell id="4" material="3" region="2" universe="2"/>
     <cell id="5" material="3" universe="30"/>
-    <cell fill="4" id="6" region="-3" rotation="0.0 0.0 45.0" translation="-4.0 0.0 0.0" universe="5"/>
-    <cell fill="3" id="7" region="-4" rotation="0.0 0.0 30.0" translation="4.0 0.0 0.0" universe="5"/>
+    <cell id="6" fill="4" region="-3" translation="-4.0 0.0 0.0" rotation="0.0 0.0 45.0" universe="5"/>
+    <cell id="7" fill="3" region="-4" translation="4.0 0.0 0.0" rotation="0.0 0.0 30.0" universe="5"/>
     <cell id="8" material="3" region="-5 3 4" universe="5"/>
     <hex_lattice id="3" n_rings="3">
       <pitch>1.25</pitch>
@@ -51,18 +51,18 @@
 1 1 1 1 
 1 1 1 1 </universes>
     </lattice>
-    <surface coeffs="0.0 0.0 0.25" id="1" type="z-cylinder"/>
-    <surface coeffs="0.0 0.0 0.5" id="2" type="z-cylinder"/>
-    <surface coeffs="-4.0 0.0 4.0" id="3" type="z-cylinder"/>
-    <surface coeffs="4.0 0.0 4.0" id="4" type="z-cylinder"/>
-    <surface boundary="vacuum" coeffs="0.0 0.0 8.0" id="5" type="z-cylinder"/>
+    <surface id="1" type="z-cylinder" coeffs="0.0 0.0 0.25"/>
+    <surface id="2" type="z-cylinder" coeffs="0.0 0.0 0.5"/>
+    <surface id="3" type="z-cylinder" coeffs="-4.0 0.0 4.0"/>
+    <surface id="4" type="z-cylinder" coeffs="4.0 0.0 4.0"/>
+    <surface id="5" type="z-cylinder" boundary="vacuum" coeffs="0.0 0.0 8.0"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
     <particles>1000</particles>
     <batches>5</batches>
     <inactive>0</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="point">
         <parameters>0.0 0.0 0.0</parameters>
       </space>
diff --git a/tests/regression_tests/mg_basic/inputs_true.dat b/tests/regression_tests/mg_basic/inputs_true.dat
index 8c6faaf07..aa2c2fa0a 100644
--- a/tests/regression_tests/mg_basic/inputs_true.dat
+++ b/tests/regression_tests/mg_basic/inputs_true.dat
@@ -3,29 +3,29 @@
   <materials>
     <cross_sections>2g.h5</cross_sections>
     <material id="1" name="base leg">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="mat_1"/>
     </material>
     <material id="2" name="base tab">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="mat_2"/>
     </material>
     <material id="3" name="base hist">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="mat_3"/>
     </material>
     <material id="4" name="base matrix">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="mat_4"/>
     </material>
     <material id="5" name="base ang">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="mat_5"/>
     </material>
     <material id="6" name="micro">
       <density units="sum"/>
-      <nuclide ao="0.5" name="mat_1"/>
-      <nuclide ao="0.5" name="mat_6"/>
+      <nuclide name="mat_1" ao="0.5"/>
+      <nuclide name="mat_6" ao="0.5"/>
     </material>
   </materials>
   <geometry>
@@ -35,20 +35,20 @@
     <cell id="4" material="4" region="4 -5" universe="0"/>
     <cell id="5" material="5" region="5 -6" universe="0"/>
     <cell id="6" material="6" region="6 -7" universe="0"/>
-    <surface boundary="reflective" coeffs="0.0" id="1" type="x-plane"/>
-    <surface coeffs="154.90833333333333" id="2" type="x-plane"/>
-    <surface coeffs="309.81666666666666" id="3" type="x-plane"/>
-    <surface coeffs="464.725" id="4" type="x-plane"/>
-    <surface coeffs="619.6333333333333" id="5" type="x-plane"/>
-    <surface coeffs="774.5416666666666" id="6" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="929.45" id="7" type="x-plane"/>
+    <surface id="1" type="x-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="2" type="x-plane" coeffs="154.90833333333333"/>
+    <surface id="3" type="x-plane" coeffs="309.81666666666666"/>
+    <surface id="4" type="x-plane" coeffs="464.725"/>
+    <surface id="5" type="x-plane" coeffs="619.6333333333333"/>
+    <surface id="6" type="x-plane" coeffs="774.5416666666666"/>
+    <surface id="7" type="x-plane" boundary="vacuum" coeffs="929.45"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
     <particles>1000</particles>
     <batches>10</batches>
     <inactive>5</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>0.0 -1000.0 -1000.0 154.90833333333333 1000.0 1000.0</parameters>
       </space>
diff --git a/tests/regression_tests/mg_basic_delayed/inputs_true.dat b/tests/regression_tests/mg_basic_delayed/inputs_true.dat
index e0bcad15c..cc3f2cfb2 100644
--- a/tests/regression_tests/mg_basic_delayed/inputs_true.dat
+++ b/tests/regression_tests/mg_basic_delayed/inputs_true.dat
@@ -3,27 +3,27 @@
   <materials>
     <cross_sections>2g.h5</cross_sections>
     <material id="1" name="vec beta">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="mat_1"/>
     </material>
     <material id="2" name="vec no beta">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="mat_2"/>
     </material>
     <material id="3" name="matrix beta">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="mat_3"/>
     </material>
     <material id="4" name="matrix no beta">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="mat_4"/>
     </material>
     <material id="5" name="vec group beta">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="mat_5"/>
     </material>
     <material id="6" name="matrix group beta">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="mat_6"/>
     </material>
   </materials>
@@ -34,20 +34,20 @@
     <cell id="4" material="4" region="4 -5" universe="0"/>
     <cell id="5" material="5" region="5 -6" universe="0"/>
     <cell id="6" material="6" region="6 -7" universe="0"/>
-    <surface boundary="reflective" coeffs="0.0" id="1" type="x-plane"/>
-    <surface coeffs="154.90833333333333" id="2" type="x-plane"/>
-    <surface coeffs="309.81666666666666" id="3" type="x-plane"/>
-    <surface coeffs="464.725" id="4" type="x-plane"/>
-    <surface coeffs="619.6333333333333" id="5" type="x-plane"/>
-    <surface coeffs="774.5416666666666" id="6" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="929.45" id="7" type="x-plane"/>
+    <surface id="1" type="x-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="2" type="x-plane" coeffs="154.90833333333333"/>
+    <surface id="3" type="x-plane" coeffs="309.81666666666666"/>
+    <surface id="4" type="x-plane" coeffs="464.725"/>
+    <surface id="5" type="x-plane" coeffs="619.6333333333333"/>
+    <surface id="6" type="x-plane" coeffs="774.5416666666666"/>
+    <surface id="7" type="x-plane" boundary="vacuum" coeffs="929.45"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
     <particles>1000</particles>
     <batches>10</batches>
     <inactive>5</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>0.0 -1000.0 -1000.0 154.90833333333333 1000.0 1000.0</parameters>
       </space>
diff --git a/tests/regression_tests/mg_convert/inputs_true.dat b/tests/regression_tests/mg_convert/inputs_true.dat
index 4e51ec80c..3b1f511e6 100644
--- a/tests/regression_tests/mg_convert/inputs_true.dat
+++ b/tests/regression_tests/mg_convert/inputs_true.dat
@@ -3,23 +3,23 @@
   <materials>
     <cross_sections>mgxs.h5</cross_sections>
     <material id="1" name="UO2 fuel">
-      <density units="macro" value="1.1"/>
+      <density value="1.1" units="macro"/>
       <macroscopic name="UO2"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="cell 1" region="4 -5 6 -7" universe="0"/>
-    <surface boundary="reflective" coeffs="-5.0" id="4" name="left" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="5.0" id="5" name="right" type="x-plane"/>
-    <surface boundary="reflective" coeffs="-5.0" id="6" name="bottom" type="y-plane"/>
-    <surface boundary="reflective" coeffs="5.0" id="7" name="top" type="y-plane"/>
+    <cell id="1" name="cell 1" material="1" region="4 -5 6 -7" universe="0"/>
+    <surface id="4" name="left" type="x-plane" boundary="reflective" coeffs="-5.0"/>
+    <surface id="5" name="right" type="x-plane" boundary="vacuum" coeffs="5.0"/>
+    <surface id="6" name="bottom" type="y-plane" boundary="reflective" coeffs="-5.0"/>
+    <surface id="7" name="top" type="y-plane" boundary="reflective" coeffs="5.0"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
     <particles>100</particles>
     <batches>10</batches>
     <inactive>5</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>-5 -5 -5 5 5 5</parameters>
       </space>
diff --git a/tests/regression_tests/mg_legendre/inputs_true.dat b/tests/regression_tests/mg_legendre/inputs_true.dat
index 34ff7b630..81362f20a 100644
--- a/tests/regression_tests/mg_legendre/inputs_true.dat
+++ b/tests/regression_tests/mg_legendre/inputs_true.dat
@@ -3,21 +3,21 @@
   <materials>
     <cross_sections>2g.h5</cross_sections>
     <material id="1" name="mat_1">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="mat_1"/>
     </material>
   </materials>
   <geometry>
     <cell id="1" material="1" region="1 -2" universe="0"/>
-    <surface boundary="reflective" coeffs="0.0" id="1" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="929.45" id="2" type="x-plane"/>
+    <surface id="1" type="x-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="2" type="x-plane" boundary="vacuum" coeffs="929.45"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
     <particles>1000</particles>
     <batches>10</batches>
     <inactive>5</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>0.0 -1000.0 -1000.0 929.45 1000.0 1000.0</parameters>
       </space>
diff --git a/tests/regression_tests/mg_max_order/inputs_true.dat b/tests/regression_tests/mg_max_order/inputs_true.dat
index b6d70dc4c..c8f42d1a3 100644
--- a/tests/regression_tests/mg_max_order/inputs_true.dat
+++ b/tests/regression_tests/mg_max_order/inputs_true.dat
@@ -3,21 +3,21 @@
   <materials>
     <cross_sections>2g.h5</cross_sections>
     <material id="1" name="mat_1">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="mat_1"/>
     </material>
   </materials>
   <geometry>
     <cell id="1" material="1" region="1 -2" universe="0"/>
-    <surface boundary="reflective" coeffs="0.0" id="1" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="929.45" id="2" type="x-plane"/>
+    <surface id="1" type="x-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="2" type="x-plane" boundary="vacuum" coeffs="929.45"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
     <particles>1000</particles>
     <batches>10</batches>
     <inactive>5</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>0.0 -1000.0 -1000.0 929.45 1000.0 1000.0</parameters>
       </space>
diff --git a/tests/regression_tests/mg_survival_biasing/inputs_true.dat b/tests/regression_tests/mg_survival_biasing/inputs_true.dat
index 6529c60d8..bee69729d 100644
--- a/tests/regression_tests/mg_survival_biasing/inputs_true.dat
+++ b/tests/regression_tests/mg_survival_biasing/inputs_true.dat
@@ -3,21 +3,21 @@
   <materials>
     <cross_sections>2g.h5</cross_sections>
     <material id="1" name="mat_1">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="mat_1"/>
     </material>
   </materials>
   <geometry>
     <cell id="1" material="1" region="1 -2" universe="0"/>
-    <surface boundary="reflective" coeffs="0.0" id="1" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="929.45" id="2" type="x-plane"/>
+    <surface id="1" type="x-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="2" type="x-plane" boundary="vacuum" coeffs="929.45"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
     <particles>1000</particles>
     <batches>10</batches>
     <inactive>5</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>0.0 -1000.0 -1000.0 929.45 1000.0 1000.0</parameters>
       </space>
diff --git a/tests/regression_tests/mg_tallies/inputs_true.dat b/tests/regression_tests/mg_tallies/inputs_true.dat
index c526b65a2..f4f154244 100644
--- a/tests/regression_tests/mg_tallies/inputs_true.dat
+++ b/tests/regression_tests/mg_tallies/inputs_true.dat
@@ -3,21 +3,21 @@
   <materials>
     <cross_sections>2g.h5</cross_sections>
     <material id="1" name="mat_1">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="mat_1"/>
     </material>
   </materials>
   <geometry>
     <cell id="1" material="1" region="1 -2" universe="0"/>
-    <surface boundary="reflective" coeffs="0.0" id="1" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="929.45" id="2" type="x-plane"/>
+    <surface id="1" type="x-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="2" type="x-plane" boundary="vacuum" coeffs="929.45"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
     <particles>1000</particles>
     <batches>10</batches>
     <inactive>5</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>0.0 -1000.0 -1000.0 929.45 1000.0 1000.0</parameters>
       </space>
diff --git a/tests/regression_tests/mg_temperature_multi/inputs_true.dat b/tests/regression_tests/mg_temperature_multi/inputs_true.dat
index 0c452cd52..b84a6782b 100644
--- a/tests/regression_tests/mg_temperature_multi/inputs_true.dat
+++ b/tests/regression_tests/mg_temperature_multi/inputs_true.dat
@@ -3,31 +3,31 @@
   <materials>
     <cross_sections>mgxs.h5</cross_sections>
     <material id="1" name="UO2 fuel">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="UO2"/>
     </material>
     <material id="2" name="Water">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="LWTR"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="fuel inner" region="-1" temperature="600.0" universe="1"/>
-    <cell id="2" material="1" name="fuel outer" region="1 -2" temperature="294.0" universe="1"/>
-    <cell id="3" material="2" name="moderator" region="2 3 -4 5 -6" universe="1"/>
-    <surface coeffs="0.0 0.0 0.25" id="1" name="Fuel IR" type="z-cylinder"/>
-    <surface coeffs="0.0 0.0 0.54" id="2" name="Fuel OR" type="z-cylinder"/>
-    <surface boundary="reflective" coeffs="-0.63" id="3" name="minimum x" type="x-plane"/>
-    <surface boundary="reflective" coeffs="0.63" id="4" name="maximum x" type="x-plane"/>
-    <surface boundary="reflective" coeffs="-0.63" id="5" name="minimum y" type="y-plane"/>
-    <surface boundary="reflective" coeffs="0.63" id="6" name="maximum y" type="y-plane"/>
+    <cell id="1" name="fuel inner" material="1" region="-1" temperature="600.0" universe="1"/>
+    <cell id="2" name="fuel outer" material="1" region="1 -2" temperature="294.0" universe="1"/>
+    <cell id="3" name="moderator" material="2" region="2 3 -4 5 -6" universe="1"/>
+    <surface id="1" name="Fuel IR" type="z-cylinder" coeffs="0.0 0.0 0.25"/>
+    <surface id="2" name="Fuel OR" type="z-cylinder" coeffs="0.0 0.0 0.54"/>
+    <surface id="3" name="minimum x" type="x-plane" boundary="reflective" coeffs="-0.63"/>
+    <surface id="4" name="maximum x" type="x-plane" boundary="reflective" coeffs="0.63"/>
+    <surface id="5" name="minimum y" type="y-plane" boundary="reflective" coeffs="-0.63"/>
+    <surface id="6" name="maximum y" type="y-plane" boundary="reflective" coeffs="0.63"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
     <particles>1000</particles>
     <batches>10</batches>
     <inactive>5</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>-0.63 -0.63 -1 0.63 0.63 1</parameters>
       </space>
diff --git a/tests/regression_tests/mgxs_library_ce_to_mg/inputs_true.dat b/tests/regression_tests/mgxs_library_ce_to_mg/inputs_true.dat
index 6c071263f..2f6dde1ab 100644
--- a/tests/regression_tests/mgxs_library_ce_to_mg/inputs_true.dat
+++ b/tests/regression_tests/mgxs_library_ce_to_mg/inputs_true.dat
@@ -1,47 +1,47 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1" name="UO2 (2.4%)">
-      <density units="g/cm3" value="10.29769"/>
-      <nuclide ao="4.4843e-06" name="U234"/>
-      <nuclide ao="0.00055815" name="U235"/>
-      <nuclide ao="0.022408" name="U238"/>
-      <nuclide ao="0.045829" name="O16"/>
+    <material id="1" name="UO2 (2.4%)" depletable="true">
+      <density value="10.29769" units="g/cm3"/>
+      <nuclide name="U234" ao="4.4843e-06"/>
+      <nuclide name="U235" ao="0.00055815"/>
+      <nuclide name="U238" ao="0.022408"/>
+      <nuclide name="O16" ao="0.045829"/>
     </material>
     <material id="2" name="Zircaloy">
-      <density units="g/cm3" value="6.55"/>
-      <nuclide ao="0.021827" name="Zr90"/>
-      <nuclide ao="0.00476" name="Zr91"/>
-      <nuclide ao="0.0072758" name="Zr92"/>
-      <nuclide ao="0.0073734" name="Zr94"/>
-      <nuclide ao="0.0011879" name="Zr96"/>
+      <density value="6.55" units="g/cm3"/>
+      <nuclide name="Zr90" ao="0.021827"/>
+      <nuclide name="Zr91" ao="0.00476"/>
+      <nuclide name="Zr92" ao="0.0072758"/>
+      <nuclide name="Zr94" ao="0.0073734"/>
+      <nuclide name="Zr96" ao="0.0011879"/>
     </material>
     <material id="3" name="Hot borated water">
-      <density units="g/cm3" value="0.740582"/>
-      <nuclide ao="0.049457" name="H1"/>
-      <nuclide ao="0.024672" name="O16"/>
-      <nuclide ao="8.0042e-06" name="B10"/>
-      <nuclide ao="3.2218e-05" name="B11"/>
+      <density value="0.740582" units="g/cm3"/>
+      <nuclide name="H1" ao="0.049457"/>
+      <nuclide name="O16" ao="0.024672"/>
+      <nuclide name="B10" ao="8.0042e-06"/>
+      <nuclide name="B11" ao="3.2218e-05"/>
       <sab name="c_H_in_H2O"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="Fuel" region="-1" universe="0"/>
-    <cell id="2" material="2" name="Cladding" region="1 -2" universe="0"/>
-    <cell id="3" material="3" name="Water" region="2 3 -4 5 -6" universe="0"/>
-    <surface coeffs="0 0 0.39218" id="1" name="Fuel OR" type="z-cylinder"/>
-    <surface coeffs="0 0 0.4572" id="2" name="Clad OR" type="z-cylinder"/>
-    <surface boundary="reflective" coeffs="-0.63" id="3" name="left" type="x-plane"/>
-    <surface boundary="reflective" coeffs="0.63" id="4" name="right" type="x-plane"/>
-    <surface boundary="reflective" coeffs="-0.63" id="5" name="bottom" type="y-plane"/>
-    <surface boundary="reflective" coeffs="0.63" id="6" name="top" type="y-plane"/>
+    <cell id="1" name="Fuel" material="1" region="-1" universe="0"/>
+    <cell id="2" name="Cladding" material="2" region="1 -2" universe="0"/>
+    <cell id="3" name="Water" material="3" region="2 3 -4 5 -6" universe="0"/>
+    <surface id="1" name="Fuel OR" type="z-cylinder" coeffs="0 0 0.39218"/>
+    <surface id="2" name="Clad OR" type="z-cylinder" coeffs="0 0 0.4572"/>
+    <surface id="3" name="left" type="x-plane" boundary="reflective" coeffs="-0.63"/>
+    <surface id="4" name="right" type="x-plane" boundary="reflective" coeffs="0.63"/>
+    <surface id="5" name="bottom" type="y-plane" boundary="reflective" coeffs="-0.63"/>
+    <surface id="6" name="top" type="y-plane" boundary="reflective" coeffs="0.63"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
     <particles>100</particles>
     <batches>10</batches>
     <inactive>5</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>-0.63 -0.63 -1 0.63 0.63 1</parameters>
       </space>
diff --git a/tests/regression_tests/mgxs_library_ce_to_mg_nuclides/inputs_true.dat b/tests/regression_tests/mgxs_library_ce_to_mg_nuclides/inputs_true.dat
index ad3d50974..e1f330cf9 100644
--- a/tests/regression_tests/mgxs_library_ce_to_mg_nuclides/inputs_true.dat
+++ b/tests/regression_tests/mgxs_library_ce_to_mg_nuclides/inputs_true.dat
@@ -1,47 +1,47 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1" name="UO2 (2.4%)">
-      <density units="g/cm3" value="10.29769"/>
-      <nuclide ao="4.4843e-06" name="U234"/>
-      <nuclide ao="0.00055815" name="U235"/>
-      <nuclide ao="0.022408" name="U238"/>
-      <nuclide ao="0.045829" name="O16"/>
+    <material id="1" name="UO2 (2.4%)" depletable="true">
+      <density value="10.29769" units="g/cm3"/>
+      <nuclide name="U234" ao="4.4843e-06"/>
+      <nuclide name="U235" ao="0.00055815"/>
+      <nuclide name="U238" ao="0.022408"/>
+      <nuclide name="O16" ao="0.045829"/>
     </material>
     <material id="2" name="Zircaloy">
-      <density units="g/cm3" value="6.55"/>
-      <nuclide ao="0.021827" name="Zr90"/>
-      <nuclide ao="0.00476" name="Zr91"/>
-      <nuclide ao="0.0072758" name="Zr92"/>
-      <nuclide ao="0.0073734" name="Zr94"/>
-      <nuclide ao="0.0011879" name="Zr96"/>
+      <density value="6.55" units="g/cm3"/>
+      <nuclide name="Zr90" ao="0.021827"/>
+      <nuclide name="Zr91" ao="0.00476"/>
+      <nuclide name="Zr92" ao="0.0072758"/>
+      <nuclide name="Zr94" ao="0.0073734"/>
+      <nuclide name="Zr96" ao="0.0011879"/>
     </material>
     <material id="3" name="Hot borated water">
-      <density units="g/cm3" value="0.740582"/>
-      <nuclide ao="0.049457" name="H1"/>
-      <nuclide ao="0.024672" name="O16"/>
-      <nuclide ao="8.0042e-06" name="B10"/>
-      <nuclide ao="3.2218e-05" name="B11"/>
+      <density value="0.740582" units="g/cm3"/>
+      <nuclide name="H1" ao="0.049457"/>
+      <nuclide name="O16" ao="0.024672"/>
+      <nuclide name="B10" ao="8.0042e-06"/>
+      <nuclide name="B11" ao="3.2218e-05"/>
       <sab name="c_H_in_H2O"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="Fuel" region="-1" universe="0"/>
-    <cell id="2" material="2" name="Cladding" region="1 -2" universe="0"/>
-    <cell id="3" material="3" name="Water" region="2 3 -4 5 -6" universe="0"/>
-    <surface coeffs="0 0 0.39218" id="1" name="Fuel OR" type="z-cylinder"/>
-    <surface coeffs="0 0 0.4572" id="2" name="Clad OR" type="z-cylinder"/>
-    <surface boundary="reflective" coeffs="-0.63" id="3" name="left" type="x-plane"/>
-    <surface boundary="reflective" coeffs="0.63" id="4" name="right" type="x-plane"/>
-    <surface boundary="reflective" coeffs="-0.63" id="5" name="bottom" type="y-plane"/>
-    <surface boundary="reflective" coeffs="0.63" id="6" name="top" type="y-plane"/>
+    <cell id="1" name="Fuel" material="1" region="-1" universe="0"/>
+    <cell id="2" name="Cladding" material="2" region="1 -2" universe="0"/>
+    <cell id="3" name="Water" material="3" region="2 3 -4 5 -6" universe="0"/>
+    <surface id="1" name="Fuel OR" type="z-cylinder" coeffs="0 0 0.39218"/>
+    <surface id="2" name="Clad OR" type="z-cylinder" coeffs="0 0 0.4572"/>
+    <surface id="3" name="left" type="x-plane" boundary="reflective" coeffs="-0.63"/>
+    <surface id="4" name="right" type="x-plane" boundary="reflective" coeffs="0.63"/>
+    <surface id="5" name="bottom" type="y-plane" boundary="reflective" coeffs="-0.63"/>
+    <surface id="6" name="top" type="y-plane" boundary="reflective" coeffs="0.63"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
     <particles>100</particles>
     <batches>10</batches>
     <inactive>5</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>-0.63 -0.63 -1 0.63 0.63 1</parameters>
       </space>
diff --git a/tests/regression_tests/mgxs_library_condense/inputs_true.dat b/tests/regression_tests/mgxs_library_condense/inputs_true.dat
index 8606e9fdd..4451d214c 100644
--- a/tests/regression_tests/mgxs_library_condense/inputs_true.dat
+++ b/tests/regression_tests/mgxs_library_condense/inputs_true.dat
@@ -1,47 +1,47 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1" name="UO2 (2.4%)">
-      <density units="g/cm3" value="10.29769"/>
-      <nuclide ao="4.4843e-06" name="U234"/>
-      <nuclide ao="0.00055815" name="U235"/>
-      <nuclide ao="0.022408" name="U238"/>
-      <nuclide ao="0.045829" name="O16"/>
+    <material id="1" name="UO2 (2.4%)" depletable="true">
+      <density value="10.29769" units="g/cm3"/>
+      <nuclide name="U234" ao="4.4843e-06"/>
+      <nuclide name="U235" ao="0.00055815"/>
+      <nuclide name="U238" ao="0.022408"/>
+      <nuclide name="O16" ao="0.045829"/>
     </material>
     <material id="2" name="Zircaloy">
-      <density units="g/cm3" value="6.55"/>
-      <nuclide ao="0.021827" name="Zr90"/>
-      <nuclide ao="0.00476" name="Zr91"/>
-      <nuclide ao="0.0072758" name="Zr92"/>
-      <nuclide ao="0.0073734" name="Zr94"/>
-      <nuclide ao="0.0011879" name="Zr96"/>
+      <density value="6.55" units="g/cm3"/>
+      <nuclide name="Zr90" ao="0.021827"/>
+      <nuclide name="Zr91" ao="0.00476"/>
+      <nuclide name="Zr92" ao="0.0072758"/>
+      <nuclide name="Zr94" ao="0.0073734"/>
+      <nuclide name="Zr96" ao="0.0011879"/>
     </material>
     <material id="3" name="Hot borated water">
-      <density units="g/cm3" value="0.740582"/>
-      <nuclide ao="0.049457" name="H1"/>
-      <nuclide ao="0.024672" name="O16"/>
-      <nuclide ao="8.0042e-06" name="B10"/>
-      <nuclide ao="3.2218e-05" name="B11"/>
+      <density value="0.740582" units="g/cm3"/>
+      <nuclide name="H1" ao="0.049457"/>
+      <nuclide name="O16" ao="0.024672"/>
+      <nuclide name="B10" ao="8.0042e-06"/>
+      <nuclide name="B11" ao="3.2218e-05"/>
       <sab name="c_H_in_H2O"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="Fuel" region="-1" universe="0"/>
-    <cell id="2" material="2" name="Cladding" region="1 -2" universe="0"/>
-    <cell id="3" material="3" name="Water" region="2 3 -4 5 -6" universe="0"/>
-    <surface coeffs="0 0 0.39218" id="1" name="Fuel OR" type="z-cylinder"/>
-    <surface coeffs="0 0 0.4572" id="2" name="Clad OR" type="z-cylinder"/>
-    <surface boundary="reflective" coeffs="-0.63" id="3" name="left" type="x-plane"/>
-    <surface boundary="reflective" coeffs="0.63" id="4" name="right" type="x-plane"/>
-    <surface boundary="reflective" coeffs="-0.63" id="5" name="bottom" type="y-plane"/>
-    <surface boundary="reflective" coeffs="0.63" id="6" name="top" type="y-plane"/>
+    <cell id="1" name="Fuel" material="1" region="-1" universe="0"/>
+    <cell id="2" name="Cladding" material="2" region="1 -2" universe="0"/>
+    <cell id="3" name="Water" material="3" region="2 3 -4 5 -6" universe="0"/>
+    <surface id="1" name="Fuel OR" type="z-cylinder" coeffs="0 0 0.39218"/>
+    <surface id="2" name="Clad OR" type="z-cylinder" coeffs="0 0 0.4572"/>
+    <surface id="3" name="left" type="x-plane" boundary="reflective" coeffs="-0.63"/>
+    <surface id="4" name="right" type="x-plane" boundary="reflective" coeffs="0.63"/>
+    <surface id="5" name="bottom" type="y-plane" boundary="reflective" coeffs="-0.63"/>
+    <surface id="6" name="top" type="y-plane" boundary="reflective" coeffs="0.63"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
     <particles>100</particles>
     <batches>10</batches>
     <inactive>5</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>-0.63 -0.63 -1 0.63 0.63 1</parameters>
       </space>
diff --git a/tests/regression_tests/mgxs_library_correction/inputs_true.dat b/tests/regression_tests/mgxs_library_correction/inputs_true.dat
index ea2d1b714..bb463778f 100644
--- a/tests/regression_tests/mgxs_library_correction/inputs_true.dat
+++ b/tests/regression_tests/mgxs_library_correction/inputs_true.dat
@@ -1,47 +1,47 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1" name="UO2 (2.4%)">
-      <density units="g/cm3" value="10.29769"/>
-      <nuclide ao="4.4843e-06" name="U234"/>
-      <nuclide ao="0.00055815" name="U235"/>
-      <nuclide ao="0.022408" name="U238"/>
-      <nuclide ao="0.045829" name="O16"/>
+    <material id="1" name="UO2 (2.4%)" depletable="true">
+      <density value="10.29769" units="g/cm3"/>
+      <nuclide name="U234" ao="4.4843e-06"/>
+      <nuclide name="U235" ao="0.00055815"/>
+      <nuclide name="U238" ao="0.022408"/>
+      <nuclide name="O16" ao="0.045829"/>
     </material>
     <material id="2" name="Zircaloy">
-      <density units="g/cm3" value="6.55"/>
-      <nuclide ao="0.021827" name="Zr90"/>
-      <nuclide ao="0.00476" name="Zr91"/>
-      <nuclide ao="0.0072758" name="Zr92"/>
-      <nuclide ao="0.0073734" name="Zr94"/>
-      <nuclide ao="0.0011879" name="Zr96"/>
+      <density value="6.55" units="g/cm3"/>
+      <nuclide name="Zr90" ao="0.021827"/>
+      <nuclide name="Zr91" ao="0.00476"/>
+      <nuclide name="Zr92" ao="0.0072758"/>
+      <nuclide name="Zr94" ao="0.0073734"/>
+      <nuclide name="Zr96" ao="0.0011879"/>
     </material>
     <material id="3" name="Hot borated water">
-      <density units="g/cm3" value="0.740582"/>
-      <nuclide ao="0.049457" name="H1"/>
-      <nuclide ao="0.024672" name="O16"/>
-      <nuclide ao="8.0042e-06" name="B10"/>
-      <nuclide ao="3.2218e-05" name="B11"/>
+      <density value="0.740582" units="g/cm3"/>
+      <nuclide name="H1" ao="0.049457"/>
+      <nuclide name="O16" ao="0.024672"/>
+      <nuclide name="B10" ao="8.0042e-06"/>
+      <nuclide name="B11" ao="3.2218e-05"/>
       <sab name="c_H_in_H2O"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="Fuel" region="-1" universe="0"/>
-    <cell id="2" material="2" name="Cladding" region="1 -2" universe="0"/>
-    <cell id="3" material="3" name="Water" region="2 3 -4 5 -6" universe="0"/>
-    <surface coeffs="0 0 0.39218" id="1" name="Fuel OR" type="z-cylinder"/>
-    <surface coeffs="0 0 0.4572" id="2" name="Clad OR" type="z-cylinder"/>
-    <surface boundary="reflective" coeffs="-0.63" id="3" name="left" type="x-plane"/>
-    <surface boundary="reflective" coeffs="0.63" id="4" name="right" type="x-plane"/>
-    <surface boundary="reflective" coeffs="-0.63" id="5" name="bottom" type="y-plane"/>
-    <surface boundary="reflective" coeffs="0.63" id="6" name="top" type="y-plane"/>
+    <cell id="1" name="Fuel" material="1" region="-1" universe="0"/>
+    <cell id="2" name="Cladding" material="2" region="1 -2" universe="0"/>
+    <cell id="3" name="Water" material="3" region="2 3 -4 5 -6" universe="0"/>
+    <surface id="1" name="Fuel OR" type="z-cylinder" coeffs="0 0 0.39218"/>
+    <surface id="2" name="Clad OR" type="z-cylinder" coeffs="0 0 0.4572"/>
+    <surface id="3" name="left" type="x-plane" boundary="reflective" coeffs="-0.63"/>
+    <surface id="4" name="right" type="x-plane" boundary="reflective" coeffs="0.63"/>
+    <surface id="5" name="bottom" type="y-plane" boundary="reflective" coeffs="-0.63"/>
+    <surface id="6" name="top" type="y-plane" boundary="reflective" coeffs="0.63"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
     <particles>100</particles>
     <batches>10</batches>
     <inactive>5</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>-0.63 -0.63 -1 0.63 0.63 1</parameters>
       </space>
diff --git a/tests/regression_tests/mgxs_library_distribcell/inputs_true.dat b/tests/regression_tests/mgxs_library_distribcell/inputs_true.dat
index f1a605334..e3826cc18 100644
--- a/tests/regression_tests/mgxs_library_distribcell/inputs_true.dat
+++ b/tests/regression_tests/mgxs_library_distribcell/inputs_true.dat
@@ -1,38 +1,38 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1" name="Fuel">
-      <density units="g/cm3" value="10.29769"/>
-      <nuclide ao="4.4843e-06" name="U234"/>
-      <nuclide ao="0.00055815" name="U235"/>
-      <nuclide ao="0.022408" name="U238"/>
-      <nuclide ao="0.045829" name="O16"/>
+    <material id="1" name="Fuel" depletable="true">
+      <density value="10.29769" units="g/cm3"/>
+      <nuclide name="U234" ao="4.4843e-06"/>
+      <nuclide name="U235" ao="0.00055815"/>
+      <nuclide name="U238" ao="0.022408"/>
+      <nuclide name="O16" ao="0.045829"/>
     </material>
     <material id="2" name="Cladding">
-      <density units="g/cm3" value="6.55"/>
-      <nuclide ao="0.021827" name="Zr90"/>
-      <nuclide ao="0.00476" name="Zr91"/>
-      <nuclide ao="0.0072758" name="Zr92"/>
-      <nuclide ao="0.0073734" name="Zr94"/>
-      <nuclide ao="0.0011879" name="Zr96"/>
+      <density value="6.55" units="g/cm3"/>
+      <nuclide name="Zr90" ao="0.021827"/>
+      <nuclide name="Zr91" ao="0.00476"/>
+      <nuclide name="Zr92" ao="0.0072758"/>
+      <nuclide name="Zr94" ao="0.0073734"/>
+      <nuclide name="Zr96" ao="0.0011879"/>
     </material>
     <material id="3" name="Hot borated water">
-      <density units="g/cm3" value="0.740582"/>
-      <nuclide ao="0.049457" name="H1"/>
-      <nuclide ao="0.024672" name="O16"/>
-      <nuclide ao="8.0042e-06" name="B10"/>
-      <nuclide ao="3.2218e-05" name="B11"/>
+      <density value="0.740582" units="g/cm3"/>
+      <nuclide name="H1" ao="0.049457"/>
+      <nuclide name="O16" ao="0.024672"/>
+      <nuclide name="B10" ao="8.0042e-06"/>
+      <nuclide name="B11" ao="3.2218e-05"/>
       <sab name="c_H_in_H2O"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="fuel" region="-1" universe="1"/>
-    <cell id="2" material="2" name="clad" region="1 -2" universe="1"/>
-    <cell id="3" material="3" name="hot water" region="2" universe="1"/>
-    <cell id="4" material="3" name="guide tube inner water" region="-1" universe="2"/>
-    <cell id="5" material="2" name="guide tube clad" region="1 -2" universe="2"/>
-    <cell id="6" material="3" name="guide tube outer water" region="2" universe="2"/>
-    <cell fill="3" id="7" name="root cell" region="3 -4 5 -6" universe="4"/>
+    <cell id="1" name="fuel" material="1" region="-1" universe="1"/>
+    <cell id="2" name="clad" material="2" region="1 -2" universe="1"/>
+    <cell id="3" name="hot water" material="3" region="2" universe="1"/>
+    <cell id="4" name="guide tube inner water" material="3" region="-1" universe="2"/>
+    <cell id="5" name="guide tube clad" material="2" region="1 -2" universe="2"/>
+    <cell id="6" name="guide tube outer water" material="3" region="2" universe="2"/>
+    <cell id="7" name="root cell" fill="3" region="3 -4 5 -6" universe="4"/>
     <lattice id="3" name="Fuel Assembly">
       <pitch>1.26 1.26</pitch>
       <dimension>17 17</dimension>
@@ -56,19 +56,19 @@
 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 
 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 </universes>
     </lattice>
-    <surface coeffs="0 0 0.39218" id="1" name="Fuel OR" type="z-cylinder"/>
-    <surface coeffs="0 0 0.4572" id="2" name="Clad OR" type="z-cylinder"/>
-    <surface boundary="reflective" coeffs="-10.71" id="3" type="x-plane"/>
-    <surface boundary="reflective" coeffs="10.71" id="4" type="x-plane"/>
-    <surface boundary="reflective" coeffs="-10.71" id="5" type="y-plane"/>
-    <surface boundary="reflective" coeffs="10.71" id="6" type="y-plane"/>
+    <surface id="1" name="Fuel OR" type="z-cylinder" coeffs="0 0 0.39218"/>
+    <surface id="2" name="Clad OR" type="z-cylinder" coeffs="0 0 0.4572"/>
+    <surface id="3" type="x-plane" boundary="reflective" coeffs="-10.71"/>
+    <surface id="4" type="x-plane" boundary="reflective" coeffs="10.71"/>
+    <surface id="5" type="y-plane" boundary="reflective" coeffs="-10.71"/>
+    <surface id="6" type="y-plane" boundary="reflective" coeffs="10.71"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
     <particles>100</particles>
     <batches>10</batches>
     <inactive>5</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>-10.71 -10.71 -1 10.71 10.71 1</parameters>
       </space>
diff --git a/tests/regression_tests/mgxs_library_hdf5/inputs_true.dat b/tests/regression_tests/mgxs_library_hdf5/inputs_true.dat
index 8606e9fdd..4451d214c 100644
--- a/tests/regression_tests/mgxs_library_hdf5/inputs_true.dat
+++ b/tests/regression_tests/mgxs_library_hdf5/inputs_true.dat
@@ -1,47 +1,47 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1" name="UO2 (2.4%)">
-      <density units="g/cm3" value="10.29769"/>
-      <nuclide ao="4.4843e-06" name="U234"/>
-      <nuclide ao="0.00055815" name="U235"/>
-      <nuclide ao="0.022408" name="U238"/>
-      <nuclide ao="0.045829" name="O16"/>
+    <material id="1" name="UO2 (2.4%)" depletable="true">
+      <density value="10.29769" units="g/cm3"/>
+      <nuclide name="U234" ao="4.4843e-06"/>
+      <nuclide name="U235" ao="0.00055815"/>
+      <nuclide name="U238" ao="0.022408"/>
+      <nuclide name="O16" ao="0.045829"/>
     </material>
     <material id="2" name="Zircaloy">
-      <density units="g/cm3" value="6.55"/>
-      <nuclide ao="0.021827" name="Zr90"/>
-      <nuclide ao="0.00476" name="Zr91"/>
-      <nuclide ao="0.0072758" name="Zr92"/>
-      <nuclide ao="0.0073734" name="Zr94"/>
-      <nuclide ao="0.0011879" name="Zr96"/>
+      <density value="6.55" units="g/cm3"/>
+      <nuclide name="Zr90" ao="0.021827"/>
+      <nuclide name="Zr91" ao="0.00476"/>
+      <nuclide name="Zr92" ao="0.0072758"/>
+      <nuclide name="Zr94" ao="0.0073734"/>
+      <nuclide name="Zr96" ao="0.0011879"/>
     </material>
     <material id="3" name="Hot borated water">
-      <density units="g/cm3" value="0.740582"/>
-      <nuclide ao="0.049457" name="H1"/>
-      <nuclide ao="0.024672" name="O16"/>
-      <nuclide ao="8.0042e-06" name="B10"/>
-      <nuclide ao="3.2218e-05" name="B11"/>
+      <density value="0.740582" units="g/cm3"/>
+      <nuclide name="H1" ao="0.049457"/>
+      <nuclide name="O16" ao="0.024672"/>
+      <nuclide name="B10" ao="8.0042e-06"/>
+      <nuclide name="B11" ao="3.2218e-05"/>
       <sab name="c_H_in_H2O"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="Fuel" region="-1" universe="0"/>
-    <cell id="2" material="2" name="Cladding" region="1 -2" universe="0"/>
-    <cell id="3" material="3" name="Water" region="2 3 -4 5 -6" universe="0"/>
-    <surface coeffs="0 0 0.39218" id="1" name="Fuel OR" type="z-cylinder"/>
-    <surface coeffs="0 0 0.4572" id="2" name="Clad OR" type="z-cylinder"/>
-    <surface boundary="reflective" coeffs="-0.63" id="3" name="left" type="x-plane"/>
-    <surface boundary="reflective" coeffs="0.63" id="4" name="right" type="x-plane"/>
-    <surface boundary="reflective" coeffs="-0.63" id="5" name="bottom" type="y-plane"/>
-    <surface boundary="reflective" coeffs="0.63" id="6" name="top" type="y-plane"/>
+    <cell id="1" name="Fuel" material="1" region="-1" universe="0"/>
+    <cell id="2" name="Cladding" material="2" region="1 -2" universe="0"/>
+    <cell id="3" name="Water" material="3" region="2 3 -4 5 -6" universe="0"/>
+    <surface id="1" name="Fuel OR" type="z-cylinder" coeffs="0 0 0.39218"/>
+    <surface id="2" name="Clad OR" type="z-cylinder" coeffs="0 0 0.4572"/>
+    <surface id="3" name="left" type="x-plane" boundary="reflective" coeffs="-0.63"/>
+    <surface id="4" name="right" type="x-plane" boundary="reflective" coeffs="0.63"/>
+    <surface id="5" name="bottom" type="y-plane" boundary="reflective" coeffs="-0.63"/>
+    <surface id="6" name="top" type="y-plane" boundary="reflective" coeffs="0.63"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
     <particles>100</particles>
     <batches>10</batches>
     <inactive>5</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>-0.63 -0.63 -1 0.63 0.63 1</parameters>
       </space>
diff --git a/tests/regression_tests/mgxs_library_histogram/inputs_true.dat b/tests/regression_tests/mgxs_library_histogram/inputs_true.dat
index 013fcd0fa..94c656418 100644
--- a/tests/regression_tests/mgxs_library_histogram/inputs_true.dat
+++ b/tests/regression_tests/mgxs_library_histogram/inputs_true.dat
@@ -1,47 +1,47 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1" name="UO2 (2.4%)">
-      <density units="g/cm3" value="10.29769"/>
-      <nuclide ao="4.4843e-06" name="U234"/>
-      <nuclide ao="0.00055815" name="U235"/>
-      <nuclide ao="0.022408" name="U238"/>
-      <nuclide ao="0.045829" name="O16"/>
+    <material id="1" name="UO2 (2.4%)" depletable="true">
+      <density value="10.29769" units="g/cm3"/>
+      <nuclide name="U234" ao="4.4843e-06"/>
+      <nuclide name="U235" ao="0.00055815"/>
+      <nuclide name="U238" ao="0.022408"/>
+      <nuclide name="O16" ao="0.045829"/>
     </material>
     <material id="2" name="Zircaloy">
-      <density units="g/cm3" value="6.55"/>
-      <nuclide ao="0.021827" name="Zr90"/>
-      <nuclide ao="0.00476" name="Zr91"/>
-      <nuclide ao="0.0072758" name="Zr92"/>
-      <nuclide ao="0.0073734" name="Zr94"/>
-      <nuclide ao="0.0011879" name="Zr96"/>
+      <density value="6.55" units="g/cm3"/>
+      <nuclide name="Zr90" ao="0.021827"/>
+      <nuclide name="Zr91" ao="0.00476"/>
+      <nuclide name="Zr92" ao="0.0072758"/>
+      <nuclide name="Zr94" ao="0.0073734"/>
+      <nuclide name="Zr96" ao="0.0011879"/>
     </material>
     <material id="3" name="Hot borated water">
-      <density units="g/cm3" value="0.740582"/>
-      <nuclide ao="0.049457" name="H1"/>
-      <nuclide ao="0.024672" name="O16"/>
-      <nuclide ao="8.0042e-06" name="B10"/>
-      <nuclide ao="3.2218e-05" name="B11"/>
+      <density value="0.740582" units="g/cm3"/>
+      <nuclide name="H1" ao="0.049457"/>
+      <nuclide name="O16" ao="0.024672"/>
+      <nuclide name="B10" ao="8.0042e-06"/>
+      <nuclide name="B11" ao="3.2218e-05"/>
       <sab name="c_H_in_H2O"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="Fuel" region="-1" universe="0"/>
-    <cell id="2" material="2" name="Cladding" region="1 -2" universe="0"/>
-    <cell id="3" material="3" name="Water" region="2 3 -4 5 -6" universe="0"/>
-    <surface coeffs="0 0 0.39218" id="1" name="Fuel OR" type="z-cylinder"/>
-    <surface coeffs="0 0 0.4572" id="2" name="Clad OR" type="z-cylinder"/>
-    <surface boundary="reflective" coeffs="-0.63" id="3" name="left" type="x-plane"/>
-    <surface boundary="reflective" coeffs="0.63" id="4" name="right" type="x-plane"/>
-    <surface boundary="reflective" coeffs="-0.63" id="5" name="bottom" type="y-plane"/>
-    <surface boundary="reflective" coeffs="0.63" id="6" name="top" type="y-plane"/>
+    <cell id="1" name="Fuel" material="1" region="-1" universe="0"/>
+    <cell id="2" name="Cladding" material="2" region="1 -2" universe="0"/>
+    <cell id="3" name="Water" material="3" region="2 3 -4 5 -6" universe="0"/>
+    <surface id="1" name="Fuel OR" type="z-cylinder" coeffs="0 0 0.39218"/>
+    <surface id="2" name="Clad OR" type="z-cylinder" coeffs="0 0 0.4572"/>
+    <surface id="3" name="left" type="x-plane" boundary="reflective" coeffs="-0.63"/>
+    <surface id="4" name="right" type="x-plane" boundary="reflective" coeffs="0.63"/>
+    <surface id="5" name="bottom" type="y-plane" boundary="reflective" coeffs="-0.63"/>
+    <surface id="6" name="top" type="y-plane" boundary="reflective" coeffs="0.63"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
     <particles>100</particles>
     <batches>10</batches>
     <inactive>5</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>-0.63 -0.63 -1 0.63 0.63 1</parameters>
       </space>
diff --git a/tests/regression_tests/mgxs_library_mesh/inputs_true.dat b/tests/regression_tests/mgxs_library_mesh/inputs_true.dat
index 1ecb7a2d3..5a6e8a20a 100644
--- a/tests/regression_tests/mgxs_library_mesh/inputs_true.dat
+++ b/tests/regression_tests/mgxs_library_mesh/inputs_true.dat
@@ -1,28 +1,28 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1">
-      <density units="g/cm3" value="10.0"/>
-      <nuclide ao="1.0" name="U235"/>
+    <material id="1" depletable="true">
+      <density value="10.0" units="g/cm3"/>
+      <nuclide name="U235" ao="1.0"/>
     </material>
     <material id="2">
-      <density units="g/cm3" value="1.0"/>
-      <nuclide ao="1.0" name="Zr90"/>
+      <density value="1.0" units="g/cm3"/>
+      <nuclide name="Zr90" ao="1.0"/>
     </material>
   </materials>
   <geometry>
     <cell id="1" material="1" region="1 -2 3 -4 10 -9" universe="1"/>
     <cell id="2" material="2" region="(-1 | 2 | -3 | 4) (5 -6 7 -8) 10 -9" universe="1"/>
-    <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane"/>
-    <surface coeffs="5.0" id="2" name="maximum x" type="x-plane"/>
-    <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane"/>
-    <surface coeffs="5.0" id="4" name="maximum y" type="y-plane"/>
-    <surface boundary="reflective" coeffs="-10.0" id="5" name="minimum x" type="x-plane"/>
-    <surface boundary="reflective" coeffs="10.0" id="6" name="maximum x" type="x-plane"/>
-    <surface boundary="reflective" coeffs="-10.0" id="7" name="minimum y" type="y-plane"/>
-    <surface boundary="reflective" coeffs="10.0" id="8" name="maximum y" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="10.0" id="9" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="-10.0" id="10" type="z-plane"/>
+    <surface id="1" name="minimum x" type="x-plane" coeffs="-5.0"/>
+    <surface id="2" name="maximum x" type="x-plane" coeffs="5.0"/>
+    <surface id="3" name="minimum y" type="y-plane" coeffs="-5.0"/>
+    <surface id="4" name="maximum y" type="y-plane" coeffs="5.0"/>
+    <surface id="5" name="minimum x" type="x-plane" boundary="reflective" coeffs="-10.0"/>
+    <surface id="6" name="maximum x" type="x-plane" boundary="reflective" coeffs="10.0"/>
+    <surface id="7" name="minimum y" type="y-plane" boundary="reflective" coeffs="-10.0"/>
+    <surface id="8" name="maximum y" type="y-plane" boundary="reflective" coeffs="10.0"/>
+    <surface id="9" type="z-plane" boundary="vacuum" coeffs="10.0"/>
+    <surface id="10" type="z-plane" boundary="vacuum" coeffs="-10.0"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
diff --git a/tests/regression_tests/mgxs_library_no_nuclides/inputs_true.dat b/tests/regression_tests/mgxs_library_no_nuclides/inputs_true.dat
index 5cad36b7e..af09268cd 100644
--- a/tests/regression_tests/mgxs_library_no_nuclides/inputs_true.dat
+++ b/tests/regression_tests/mgxs_library_no_nuclides/inputs_true.dat
@@ -1,47 +1,47 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1" name="UO2 (2.4%)">
-      <density units="g/cm3" value="10.29769"/>
-      <nuclide ao="4.4843e-06" name="U234"/>
-      <nuclide ao="0.00055815" name="U235"/>
-      <nuclide ao="0.022408" name="U238"/>
-      <nuclide ao="0.045829" name="O16"/>
+    <material id="1" name="UO2 (2.4%)" depletable="true">
+      <density value="10.29769" units="g/cm3"/>
+      <nuclide name="U234" ao="4.4843e-06"/>
+      <nuclide name="U235" ao="0.00055815"/>
+      <nuclide name="U238" ao="0.022408"/>
+      <nuclide name="O16" ao="0.045829"/>
     </material>
     <material id="2" name="Zircaloy">
-      <density units="g/cm3" value="6.55"/>
-      <nuclide ao="0.021827" name="Zr90"/>
-      <nuclide ao="0.00476" name="Zr91"/>
-      <nuclide ao="0.0072758" name="Zr92"/>
-      <nuclide ao="0.0073734" name="Zr94"/>
-      <nuclide ao="0.0011879" name="Zr96"/>
+      <density value="6.55" units="g/cm3"/>
+      <nuclide name="Zr90" ao="0.021827"/>
+      <nuclide name="Zr91" ao="0.00476"/>
+      <nuclide name="Zr92" ao="0.0072758"/>
+      <nuclide name="Zr94" ao="0.0073734"/>
+      <nuclide name="Zr96" ao="0.0011879"/>
     </material>
     <material id="3" name="Hot borated water">
-      <density units="g/cm3" value="0.740582"/>
-      <nuclide ao="0.049457" name="H1"/>
-      <nuclide ao="0.024672" name="O16"/>
-      <nuclide ao="8.0042e-06" name="B10"/>
-      <nuclide ao="3.2218e-05" name="B11"/>
+      <density value="0.740582" units="g/cm3"/>
+      <nuclide name="H1" ao="0.049457"/>
+      <nuclide name="O16" ao="0.024672"/>
+      <nuclide name="B10" ao="8.0042e-06"/>
+      <nuclide name="B11" ao="3.2218e-05"/>
       <sab name="c_H_in_H2O"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="Fuel" region="-1" universe="0"/>
-    <cell id="2" material="2" name="Cladding" region="1 -2" universe="0"/>
-    <cell id="3" material="3" name="Water" region="2 3 -4 5 -6" universe="0"/>
-    <surface coeffs="0 0 0.39218" id="1" name="Fuel OR" type="z-cylinder"/>
-    <surface coeffs="0 0 0.4572" id="2" name="Clad OR" type="z-cylinder"/>
-    <surface boundary="reflective" coeffs="-0.63" id="3" name="left" type="x-plane"/>
-    <surface boundary="reflective" coeffs="0.63" id="4" name="right" type="x-plane"/>
-    <surface boundary="reflective" coeffs="-0.63" id="5" name="bottom" type="y-plane"/>
-    <surface boundary="reflective" coeffs="0.63" id="6" name="top" type="y-plane"/>
+    <cell id="1" name="Fuel" material="1" region="-1" universe="0"/>
+    <cell id="2" name="Cladding" material="2" region="1 -2" universe="0"/>
+    <cell id="3" name="Water" material="3" region="2 3 -4 5 -6" universe="0"/>
+    <surface id="1" name="Fuel OR" type="z-cylinder" coeffs="0 0 0.39218"/>
+    <surface id="2" name="Clad OR" type="z-cylinder" coeffs="0 0 0.4572"/>
+    <surface id="3" name="left" type="x-plane" boundary="reflective" coeffs="-0.63"/>
+    <surface id="4" name="right" type="x-plane" boundary="reflective" coeffs="0.63"/>
+    <surface id="5" name="bottom" type="y-plane" boundary="reflective" coeffs="-0.63"/>
+    <surface id="6" name="top" type="y-plane" boundary="reflective" coeffs="0.63"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
     <particles>100</particles>
     <batches>10</batches>
     <inactive>5</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>-0.63 -0.63 -1 0.63 0.63 1</parameters>
       </space>
diff --git a/tests/regression_tests/mgxs_library_nuclides/inputs_true.dat b/tests/regression_tests/mgxs_library_nuclides/inputs_true.dat
index 9b3a22510..c35e57f0e 100644
--- a/tests/regression_tests/mgxs_library_nuclides/inputs_true.dat
+++ b/tests/regression_tests/mgxs_library_nuclides/inputs_true.dat
@@ -1,47 +1,47 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1" name="UO2 (2.4%)">
-      <density units="g/cm3" value="10.29769"/>
-      <nuclide ao="4.4843e-06" name="U234"/>
-      <nuclide ao="0.00055815" name="U235"/>
-      <nuclide ao="0.022408" name="U238"/>
-      <nuclide ao="0.045829" name="O16"/>
+    <material id="1" name="UO2 (2.4%)" depletable="true">
+      <density value="10.29769" units="g/cm3"/>
+      <nuclide name="U234" ao="4.4843e-06"/>
+      <nuclide name="U235" ao="0.00055815"/>
+      <nuclide name="U238" ao="0.022408"/>
+      <nuclide name="O16" ao="0.045829"/>
     </material>
     <material id="2" name="Zircaloy">
-      <density units="g/cm3" value="6.55"/>
-      <nuclide ao="0.021827" name="Zr90"/>
-      <nuclide ao="0.00476" name="Zr91"/>
-      <nuclide ao="0.0072758" name="Zr92"/>
-      <nuclide ao="0.0073734" name="Zr94"/>
-      <nuclide ao="0.0011879" name="Zr96"/>
+      <density value="6.55" units="g/cm3"/>
+      <nuclide name="Zr90" ao="0.021827"/>
+      <nuclide name="Zr91" ao="0.00476"/>
+      <nuclide name="Zr92" ao="0.0072758"/>
+      <nuclide name="Zr94" ao="0.0073734"/>
+      <nuclide name="Zr96" ao="0.0011879"/>
     </material>
     <material id="3" name="Hot borated water">
-      <density units="g/cm3" value="0.740582"/>
-      <nuclide ao="0.049457" name="H1"/>
-      <nuclide ao="0.024672" name="O16"/>
-      <nuclide ao="8.0042e-06" name="B10"/>
-      <nuclide ao="3.2218e-05" name="B11"/>
+      <density value="0.740582" units="g/cm3"/>
+      <nuclide name="H1" ao="0.049457"/>
+      <nuclide name="O16" ao="0.024672"/>
+      <nuclide name="B10" ao="8.0042e-06"/>
+      <nuclide name="B11" ao="3.2218e-05"/>
       <sab name="c_H_in_H2O"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="Fuel" region="-1" universe="0"/>
-    <cell id="2" material="2" name="Cladding" region="1 -2" universe="0"/>
-    <cell id="3" material="3" name="Water" region="2 3 -4 5 -6" universe="0"/>
-    <surface coeffs="0 0 0.39218" id="1" name="Fuel OR" type="z-cylinder"/>
-    <surface coeffs="0 0 0.4572" id="2" name="Clad OR" type="z-cylinder"/>
-    <surface boundary="reflective" coeffs="-0.63" id="3" name="left" type="x-plane"/>
-    <surface boundary="reflective" coeffs="0.63" id="4" name="right" type="x-plane"/>
-    <surface boundary="reflective" coeffs="-0.63" id="5" name="bottom" type="y-plane"/>
-    <surface boundary="reflective" coeffs="0.63" id="6" name="top" type="y-plane"/>
+    <cell id="1" name="Fuel" material="1" region="-1" universe="0"/>
+    <cell id="2" name="Cladding" material="2" region="1 -2" universe="0"/>
+    <cell id="3" name="Water" material="3" region="2 3 -4 5 -6" universe="0"/>
+    <surface id="1" name="Fuel OR" type="z-cylinder" coeffs="0 0 0.39218"/>
+    <surface id="2" name="Clad OR" type="z-cylinder" coeffs="0 0 0.4572"/>
+    <surface id="3" name="left" type="x-plane" boundary="reflective" coeffs="-0.63"/>
+    <surface id="4" name="right" type="x-plane" boundary="reflective" coeffs="0.63"/>
+    <surface id="5" name="bottom" type="y-plane" boundary="reflective" coeffs="-0.63"/>
+    <surface id="6" name="top" type="y-plane" boundary="reflective" coeffs="0.63"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
     <particles>100</particles>
     <batches>10</batches>
     <inactive>5</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>-0.63 -0.63 -1 0.63 0.63 1</parameters>
       </space>
diff --git a/tests/regression_tests/mgxs_library_specific_nuclides/inputs_true.dat b/tests/regression_tests/mgxs_library_specific_nuclides/inputs_true.dat
index 1372741c9..dd9d1ceb0 100644
--- a/tests/regression_tests/mgxs_library_specific_nuclides/inputs_true.dat
+++ b/tests/regression_tests/mgxs_library_specific_nuclides/inputs_true.dat
@@ -1,47 +1,47 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1" name="UO2 (2.4%)">
-      <density units="g/cm3" value="10.29769"/>
-      <nuclide ao="4.4843e-06" name="U234"/>
-      <nuclide ao="0.00055815" name="U235"/>
-      <nuclide ao="0.022408" name="U238"/>
-      <nuclide ao="0.045829" name="O16"/>
+    <material id="1" name="UO2 (2.4%)" depletable="true">
+      <density value="10.29769" units="g/cm3"/>
+      <nuclide name="U234" ao="4.4843e-06"/>
+      <nuclide name="U235" ao="0.00055815"/>
+      <nuclide name="U238" ao="0.022408"/>
+      <nuclide name="O16" ao="0.045829"/>
     </material>
     <material id="2" name="Zircaloy">
-      <density units="g/cm3" value="6.55"/>
-      <nuclide ao="0.021827" name="Zr90"/>
-      <nuclide ao="0.00476" name="Zr91"/>
-      <nuclide ao="0.0072758" name="Zr92"/>
-      <nuclide ao="0.0073734" name="Zr94"/>
-      <nuclide ao="0.0011879" name="Zr96"/>
+      <density value="6.55" units="g/cm3"/>
+      <nuclide name="Zr90" ao="0.021827"/>
+      <nuclide name="Zr91" ao="0.00476"/>
+      <nuclide name="Zr92" ao="0.0072758"/>
+      <nuclide name="Zr94" ao="0.0073734"/>
+      <nuclide name="Zr96" ao="0.0011879"/>
     </material>
     <material id="3" name="Hot borated water">
-      <density units="g/cm3" value="0.740582"/>
-      <nuclide ao="0.049457" name="H1"/>
-      <nuclide ao="0.024672" name="O16"/>
-      <nuclide ao="8.0042e-06" name="B10"/>
-      <nuclide ao="3.2218e-05" name="B11"/>
+      <density value="0.740582" units="g/cm3"/>
+      <nuclide name="H1" ao="0.049457"/>
+      <nuclide name="O16" ao="0.024672"/>
+      <nuclide name="B10" ao="8.0042e-06"/>
+      <nuclide name="B11" ao="3.2218e-05"/>
       <sab name="c_H_in_H2O"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="Fuel" region="-1" universe="0"/>
-    <cell id="2" material="2" name="Cladding" region="1 -2" universe="0"/>
-    <cell id="3" material="3" name="Water" region="2 3 -4 5 -6" universe="0"/>
-    <surface coeffs="0 0 0.39218" id="1" name="Fuel OR" type="z-cylinder"/>
-    <surface coeffs="0 0 0.4572" id="2" name="Clad OR" type="z-cylinder"/>
-    <surface boundary="reflective" coeffs="-0.63" id="3" name="left" type="x-plane"/>
-    <surface boundary="reflective" coeffs="0.63" id="4" name="right" type="x-plane"/>
-    <surface boundary="reflective" coeffs="-0.63" id="5" name="bottom" type="y-plane"/>
-    <surface boundary="reflective" coeffs="0.63" id="6" name="top" type="y-plane"/>
+    <cell id="1" name="Fuel" material="1" region="-1" universe="0"/>
+    <cell id="2" name="Cladding" material="2" region="1 -2" universe="0"/>
+    <cell id="3" name="Water" material="3" region="2 3 -4 5 -6" universe="0"/>
+    <surface id="1" name="Fuel OR" type="z-cylinder" coeffs="0 0 0.39218"/>
+    <surface id="2" name="Clad OR" type="z-cylinder" coeffs="0 0 0.4572"/>
+    <surface id="3" name="left" type="x-plane" boundary="reflective" coeffs="-0.63"/>
+    <surface id="4" name="right" type="x-plane" boundary="reflective" coeffs="0.63"/>
+    <surface id="5" name="bottom" type="y-plane" boundary="reflective" coeffs="-0.63"/>
+    <surface id="6" name="top" type="y-plane" boundary="reflective" coeffs="0.63"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
     <particles>100</particles>
     <batches>10</batches>
     <inactive>5</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>-0.63 -0.63 -1 0.63 0.63 1</parameters>
       </space>
diff --git a/tests/regression_tests/model_xml/adj_cell_rotation_inputs_true.dat b/tests/regression_tests/model_xml/adj_cell_rotation_inputs_true.dat
index 7e2a0cf62..18c0552ce 100644
--- a/tests/regression_tests/model_xml/adj_cell_rotation_inputs_true.dat
+++ b/tests/regression_tests/model_xml/adj_cell_rotation_inputs_true.dat
@@ -1,35 +1,35 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1">
-      <density units="g/cc" value="10.0"/>
-      <nuclide ao="1.0" name="U235"/>
+    <material id="1" depletable="true">
+      <density value="10.0" units="g/cc"/>
+      <nuclide name="U235" ao="1.0"/>
     </material>
     <material id="2">
-      <density units="g/cc" value="0.1"/>
-      <nuclide ao="0.1" name="H1"/>
+      <density value="0.1" units="g/cc"/>
+      <nuclide name="H1" ao="0.1"/>
     </material>
   </materials>
   <geometry>
     <cell id="1" material="1" region="-1" universe="1"/>
     <cell id="2" material="2" region="1" universe="1"/>
-    <cell fill="1" id="3" region="2 -3 4 -5 6 -8" rotation="10 20 30" universe="2"/>
-    <cell fill="1" id="4" region="2 -3 4 -5 8 -7" translation="0 0 15" universe="2"/>
-    <surface coeffs="1.0 0.0 0.0 5.0" id="1" type="sphere"/>
-    <surface boundary="vacuum" coeffs="-7.5" id="2" name="minimum x" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="7.5" id="3" name="maximum x" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="-7.5" id="4" name="minimum y" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="7.5" id="5" name="maximum y" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="-7.5" id="6" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="22.5" id="7" type="z-plane"/>
-    <surface coeffs="7.5" id="8" type="z-plane"/>
+    <cell id="3" fill="1" region="2 -3 4 -5 6 -8" rotation="10 20 30" universe="2"/>
+    <cell id="4" fill="1" region="2 -3 4 -5 8 -7" translation="0 0 15" universe="2"/>
+    <surface id="1" type="sphere" coeffs="1.0 0.0 0.0 5.0"/>
+    <surface id="2" name="minimum x" type="x-plane" boundary="vacuum" coeffs="-7.5"/>
+    <surface id="3" name="maximum x" type="x-plane" boundary="vacuum" coeffs="7.5"/>
+    <surface id="4" name="minimum y" type="y-plane" boundary="vacuum" coeffs="-7.5"/>
+    <surface id="5" name="maximum y" type="y-plane" boundary="vacuum" coeffs="7.5"/>
+    <surface id="6" type="z-plane" boundary="vacuum" coeffs="-7.5"/>
+    <surface id="7" type="z-plane" boundary="vacuum" coeffs="22.5"/>
+    <surface id="8" type="z-plane" coeffs="7.5"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
     <particles>10000</particles>
     <batches>10</batches>
     <inactive>5</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>-4.0 -4.0 -4.0 4.0 4.0 4.0</parameters>
       </space>
diff --git a/tests/regression_tests/model_xml/energy_laws_inputs_true.dat b/tests/regression_tests/model_xml/energy_laws_inputs_true.dat
index 4d8e825d1..8c5191217 100644
--- a/tests/regression_tests/model_xml/energy_laws_inputs_true.dat
+++ b/tests/regression_tests/model_xml/energy_laws_inputs_true.dat
@@ -1,18 +1,18 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1">
-      <density units="g/cm3" value="20.0"/>
-      <nuclide ao="1.0" name="U233"/>
-      <nuclide ao="1.0" name="Am244"/>
-      <nuclide ao="1.0" name="H2"/>
-      <nuclide ao="1.0" name="Na23"/>
-      <nuclide ao="1.0" name="Ta181"/>
+    <material id="1" depletable="true">
+      <density value="20.0" units="g/cm3"/>
+      <nuclide name="U233" ao="1.0"/>
+      <nuclide name="Am244" ao="1.0"/>
+      <nuclide name="H2" ao="1.0"/>
+      <nuclide name="Na23" ao="1.0"/>
+      <nuclide name="Ta181" ao="1.0"/>
     </material>
   </materials>
   <geometry>
     <cell id="1" material="1" region="-1" universe="1"/>
-    <surface boundary="reflective" coeffs="0.0 0.0 0.0 100.0" id="1" type="sphere"/>
+    <surface id="1" type="sphere" boundary="reflective" coeffs="0.0 0.0 0.0 100.0"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
diff --git a/tests/regression_tests/model_xml/lattice_multiple_inputs_true.dat b/tests/regression_tests/model_xml/lattice_multiple_inputs_true.dat
index b249d97c4..06abef582 100644
--- a/tests/regression_tests/model_xml/lattice_multiple_inputs_true.dat
+++ b/tests/regression_tests/model_xml/lattice_multiple_inputs_true.dat
@@ -1,15 +1,15 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1" name="UO2">
-      <density units="g/cm3" value="10.0"/>
-      <nuclide ao="1.0" name="U235"/>
-      <nuclide ao="2.0" name="O16"/>
+    <material id="1" name="UO2" depletable="true">
+      <density value="10.0" units="g/cm3"/>
+      <nuclide name="U235" ao="1.0"/>
+      <nuclide name="O16" ao="2.0"/>
     </material>
     <material id="2" name="light water">
-      <density units="g/cm3" value="1.0"/>
-      <nuclide ao="2.0" name="H1"/>
-      <nuclide ao="1.0" name="O16"/>
+      <density value="1.0" units="g/cm3"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
       <sab name="c_H_in_H2O"/>
     </material>
   </materials>
@@ -18,8 +18,8 @@
     <cell id="2" material="2" region="1" universe="1"/>
     <cell id="3" material="1" region="-2" universe="2"/>
     <cell id="4" material="2" region="2" universe="2"/>
-    <cell fill="3" id="5" universe="4"/>
-    <cell fill="5" id="6" region="3 -4 5 -6" universe="6"/>
+    <cell id="5" fill="3" universe="4"/>
+    <cell id="6" fill="5" region="3 -4 5 -6" universe="6"/>
     <lattice id="3">
       <pitch>1.2 1.2</pitch>
       <outer>1</outer>
@@ -37,12 +37,12 @@
 4 4 
 4 4 </universes>
     </lattice>
-    <surface coeffs="0.0 0.0 0.4" id="1" type="z-cylinder"/>
-    <surface coeffs="0.0 0.0 0.5" id="2" type="z-cylinder"/>
-    <surface boundary="reflective" coeffs="-2.4" id="3" name="minimum x" type="x-plane"/>
-    <surface boundary="reflective" coeffs="2.4" id="4" name="maximum x" type="x-plane"/>
-    <surface boundary="reflective" coeffs="-2.4" id="5" name="minimum y" type="y-plane"/>
-    <surface boundary="reflective" coeffs="2.4" id="6" name="maximum y" type="y-plane"/>
+    <surface id="1" type="z-cylinder" coeffs="0.0 0.0 0.4"/>
+    <surface id="2" type="z-cylinder" coeffs="0.0 0.0 0.5"/>
+    <surface id="3" name="minimum x" type="x-plane" boundary="reflective" coeffs="-2.4"/>
+    <surface id="4" name="maximum x" type="x-plane" boundary="reflective" coeffs="2.4"/>
+    <surface id="5" name="minimum y" type="y-plane" boundary="reflective" coeffs="-2.4"/>
+    <surface id="6" name="maximum y" type="y-plane" boundary="reflective" coeffs="2.4"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
diff --git a/tests/regression_tests/model_xml/photon_production_inputs_true.dat b/tests/regression_tests/model_xml/photon_production_inputs_true.dat
index 10f0bad98..07eebaa3e 100644
--- a/tests/regression_tests/model_xml/photon_production_inputs_true.dat
+++ b/tests/regression_tests/model_xml/photon_production_inputs_true.dat
@@ -2,28 +2,28 @@
 <model>
   <materials>
     <material id="1">
-      <density units="g/cm3" value="2.6989"/>
-      <nuclide ao="1.0" name="Al27"/>
+      <density value="2.6989" units="g/cm3"/>
+      <nuclide name="Al27" ao="1.0"/>
     </material>
   </materials>
   <geometry>
     <cell id="1" material="void" region="-1 2 -3" universe="1"/>
     <cell id="2" material="1" region="-1 3 -4" universe="1"/>
     <cell id="3" material="void" region="1 | -2 | 4" universe="1"/>
-    <surface boundary="vacuum" coeffs="0.0 0.0 1.0" id="1" type="x-cylinder"/>
-    <surface boundary="vacuum" coeffs="-1.0" id="2" type="x-plane"/>
-    <surface coeffs="1.0" id="3" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="1000000000.0" id="4" type="x-plane"/>
+    <surface id="1" type="x-cylinder" boundary="vacuum" coeffs="0.0 0.0 1.0"/>
+    <surface id="2" type="x-plane" boundary="vacuum" coeffs="-1.0"/>
+    <surface id="3" type="x-plane" coeffs="1.0"/>
+    <surface id="4" type="x-plane" boundary="vacuum" coeffs="1000000000.0"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
     <particles>10000</particles>
     <batches>1</batches>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="point">
         <parameters>0 0 0</parameters>
       </space>
-      <angle reference_uvw="1.0 0.0 0.0" type="monodirectional"/>
+      <angle type="monodirectional" reference_uvw="1.0 0.0 0.0"/>
       <energy type="discrete">
         <parameters>14000000.0 1.0</parameters>
       </energy>
diff --git a/tests/regression_tests/multipole/inputs_true.dat b/tests/regression_tests/multipole/inputs_true.dat
index 7bea66930..22a351240 100644
--- a/tests/regression_tests/multipole/inputs_true.dat
+++ b/tests/regression_tests/multipole/inputs_true.dat
@@ -2,21 +2,21 @@
 <model>
   <materials>
     <material id="1">
-      <density units="g/cc" value="1.0"/>
-      <nuclide ao="2.0" name="H1"/>
-      <nuclide ao="1.0" name="O16"/>
+      <density value="1.0" units="g/cc"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
       <sab name="c_H_in_H2O"/>
     </material>
-    <material depletable="true" id="2">
-      <density units="g/cc" value="4.5"/>
-      <nuclide ao="1.0" name="U235"/>
+    <material id="2" depletable="true">
+      <density value="4.5" units="g/cc"/>
+      <nuclide name="U235" ao="1.0"/>
     </material>
   </materials>
   <geometry>
     <cell id="1" material="1" universe="1"/>
     <cell id="11" material="2" region="-1" temperature="500 700 0 800" universe="11"/>
     <cell id="12" material="1" region="1" universe="11"/>
-    <cell fill="101" id="101" region="2 -3 4 -5" universe="0"/>
+    <cell id="101" fill="101" region="2 -3 4 -5" universe="0"/>
     <lattice id="101">
       <pitch>2.0 2.0</pitch>
       <outer>1</outer>
@@ -26,18 +26,18 @@
 11 11 
 11 11 </universes>
     </lattice>
-    <surface coeffs="0.0 0.0 0.3" id="1" type="z-cylinder"/>
-    <surface boundary="reflective" coeffs="-3.0" id="2" type="x-plane"/>
-    <surface boundary="reflective" coeffs="3.0" id="3" type="x-plane"/>
-    <surface boundary="reflective" coeffs="-3.0" id="4" type="y-plane"/>
-    <surface boundary="reflective" coeffs="3.0" id="5" type="y-plane"/>
+    <surface id="1" type="z-cylinder" coeffs="0.0 0.0 0.3"/>
+    <surface id="2" type="x-plane" boundary="reflective" coeffs="-3.0"/>
+    <surface id="3" type="x-plane" boundary="reflective" coeffs="3.0"/>
+    <surface id="4" type="y-plane" boundary="reflective" coeffs="-3.0"/>
+    <surface id="5" type="y-plane" boundary="reflective" coeffs="3.0"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
     <particles>1000</particles>
     <batches>5</batches>
     <inactive>0</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>-1 -1 -1 1 1 1</parameters>
       </space>
diff --git a/tests/regression_tests/ncrystal/inputs_true.dat b/tests/regression_tests/ncrystal/inputs_true.dat
index ecbc3c54f..81ee2e312 100644
--- a/tests/regression_tests/ncrystal/inputs_true.dat
+++ b/tests/regression_tests/ncrystal/inputs_true.dat
@@ -1,26 +1,26 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material cfg="Al_sg225.ncmat" id="1" temperature="293.15">
-      <density units="g/cm3" value="2.6986455176922477"/>
-      <nuclide ao="1.0" name="Al27"/>
+    <material id="1" cfg="Al_sg225.ncmat" temperature="293.15">
+      <density value="2.6986455176922477" units="g/cm3"/>
+      <nuclide name="Al27" ao="1.0"/>
     </material>
   </materials>
   <geometry>
     <cell id="1" material="1" region="-1" universe="1"/>
     <cell id="2" material="void" region="1 -2" universe="1"/>
-    <surface coeffs="0.0 0.0 0.0 0.1" id="1" type="sphere"/>
-    <surface boundary="vacuum" coeffs="0.0 0.0 0.0 100" id="2" type="sphere"/>
+    <surface id="1" type="sphere" coeffs="0.0 0.0 0.0 0.1"/>
+    <surface id="2" type="sphere" boundary="vacuum" coeffs="0.0 0.0 0.0 100"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
     <particles>100000</particles>
     <batches>10</batches>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="point">
         <parameters>0 0 -20</parameters>
       </space>
-      <angle reference_uvw="0.0 0.0 1.0" type="monodirectional"/>
+      <angle type="monodirectional" reference_uvw="0.0 0.0 1.0"/>
       <energy type="discrete">
         <parameters>0.012 1.0</parameters>
       </energy>
diff --git a/tests/regression_tests/periodic/inputs_true.dat b/tests/regression_tests/periodic/inputs_true.dat
index 65e1b5ce3..9183db3c4 100644
--- a/tests/regression_tests/periodic/inputs_true.dat
+++ b/tests/regression_tests/periodic/inputs_true.dat
@@ -2,33 +2,33 @@
 <model>
   <materials>
     <material id="1">
-      <density units="g/cc" value="1.0"/>
-      <nuclide ao="2.0" name="H1"/>
-      <nuclide ao="1.0" name="O16"/>
+      <density value="1.0" units="g/cc"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
       <sab name="c_H_in_H2O"/>
     </material>
-    <material depletable="true" id="2">
-      <density units="g/cc" value="4.5"/>
-      <nuclide ao="1.0" name="U235"/>
+    <material id="2" depletable="true">
+      <density value="4.5" units="g/cc"/>
+      <nuclide name="U235" ao="1.0"/>
     </material>
   </materials>
   <geometry>
     <cell id="1" material="1" region="1 -2 3 -4 5 -6 7" universe="0"/>
     <cell id="2" material="2" region="3 5 -6 -7" universe="0"/>
-    <surface boundary="periodic" coeffs="0.0" id="1" periodic_surface_id="3" type="x-plane"/>
-    <surface boundary="reflective" coeffs="5.0" id="2" type="x-plane"/>
-    <surface boundary="periodic" coeffs="0.0" id="3" periodic_surface_id="1" type="y-plane"/>
-    <surface boundary="reflective" coeffs="5.0" id="4" type="y-plane"/>
-    <surface boundary="periodic" coeffs="-5.0" id="5" type="z-plane"/>
-    <surface boundary="periodic" coeffs="0 0 1 5.0" id="6" type="plane"/>
-    <surface coeffs="2.5 0.0 2.0" id="7" type="z-cylinder"/>
+    <surface id="1" type="x-plane" boundary="periodic" coeffs="0.0" periodic_surface_id="3"/>
+    <surface id="2" type="x-plane" boundary="reflective" coeffs="5.0"/>
+    <surface id="3" type="y-plane" boundary="periodic" coeffs="0.0" periodic_surface_id="1"/>
+    <surface id="4" type="y-plane" boundary="reflective" coeffs="5.0"/>
+    <surface id="5" type="z-plane" boundary="periodic" coeffs="-5.0"/>
+    <surface id="6" type="plane" boundary="periodic" coeffs="0 0 1 5.0"/>
+    <surface id="7" type="z-cylinder" coeffs="2.5 0.0 2.0"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
     <particles>1000</particles>
     <batches>4</batches>
     <inactive>0</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>0 0 0 5 5 0</parameters>
       </space>
diff --git a/tests/regression_tests/periodic_6fold/inputs_true.dat b/tests/regression_tests/periodic_6fold/inputs_true.dat
index f7f413d09..075cffc12 100644
--- a/tests/regression_tests/periodic_6fold/inputs_true.dat
+++ b/tests/regression_tests/periodic_6fold/inputs_true.dat
@@ -2,30 +2,30 @@
 <model>
   <materials>
     <material id="1">
-      <density units="g/cc" value="1.0"/>
-      <nuclide ao="2.0" name="H1"/>
-      <nuclide ao="1.0" name="O16"/>
+      <density value="1.0" units="g/cc"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
       <sab name="c_H_in_H2O"/>
     </material>
-    <material depletable="true" id="2">
-      <density units="g/cc" value="4.5"/>
-      <nuclide ao="1.0" name="U235"/>
+    <material id="2" depletable="true">
+      <density value="4.5" units="g/cc"/>
+      <nuclide name="U235" ao="1.0"/>
     </material>
   </materials>
   <geometry>
     <cell id="1" material="1" region="1 2 -3 4" universe="0"/>
     <cell id="2" material="2" region="1 2 -4" universe="0"/>
-    <surface boundary="periodic" coeffs="0.4999999999999999 0.8660254037844387 0.0 0.0" id="1" type="plane"/>
-    <surface boundary="periodic" coeffs="0.4999999999999999 -0.8660254037844387 0.0 0.0" id="2" type="plane"/>
-    <surface boundary="reflective" coeffs="5.0" id="3" type="x-plane"/>
-    <surface coeffs="2.598076211353316 1.4999999999999998 2.0" id="4" type="z-cylinder"/>
+    <surface id="1" type="plane" boundary="periodic" coeffs="0.4999999999999999 0.8660254037844387 0.0 0.0"/>
+    <surface id="2" type="plane" boundary="periodic" coeffs="0.4999999999999999 -0.8660254037844387 0.0 0.0"/>
+    <surface id="3" type="x-plane" boundary="reflective" coeffs="5.0"/>
+    <surface id="4" type="z-cylinder" coeffs="2.598076211353316 1.4999999999999998 2.0"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
     <particles>1000</particles>
     <batches>4</batches>
     <inactive>0</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>0 0 0 5 5 0</parameters>
       </space>
diff --git a/tests/regression_tests/periodic_hex/inputs_true.dat b/tests/regression_tests/periodic_hex/inputs_true.dat
index 188c8dfa9..e65af3d94 100644
--- a/tests/regression_tests/periodic_hex/inputs_true.dat
+++ b/tests/regression_tests/periodic_hex/inputs_true.dat
@@ -1,19 +1,19 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1">
-      <density units="g/cc" value="4.5"/>
-      <nuclide ao="1.0" name="U235"/>
+    <material id="1" depletable="true">
+      <density value="4.5" units="g/cc"/>
+      <nuclide name="U235" ao="1.0"/>
     </material>
   </materials>
   <geometry>
     <cell id="1" material="1" region="-1 2 -3 -4 5 6" universe="1"/>
-    <surface boundary="periodic" coeffs="8.660254037844386" id="1" periodic_surface_id="2" type="x-plane"/>
-    <surface boundary="periodic" coeffs="-8.660254037844386" id="2" periodic_surface_id="1" type="x-plane"/>
-    <surface boundary="periodic" coeffs="0.5773502691896257 1.0 0.0 10.0" id="3" periodic_surface_id="6" type="plane"/>
-    <surface boundary="periodic" coeffs="-0.5773502691896257 1.0 0.0 10.0" id="4" periodic_surface_id="5" type="plane"/>
-    <surface boundary="periodic" coeffs="-0.5773502691896257 1.0 0.0 -10.0" id="5" periodic_surface_id="4" type="plane"/>
-    <surface boundary="periodic" coeffs="0.5773502691896257 1.0 0.0 -10.0" id="6" periodic_surface_id="3" type="plane"/>
+    <surface id="1" type="x-plane" boundary="periodic" coeffs="8.660254037844386" periodic_surface_id="2"/>
+    <surface id="2" type="x-plane" boundary="periodic" coeffs="-8.660254037844386" periodic_surface_id="1"/>
+    <surface id="3" type="plane" boundary="periodic" coeffs="0.5773502691896257 1.0 0.0 10.0" periodic_surface_id="6"/>
+    <surface id="4" type="plane" boundary="periodic" coeffs="-0.5773502691896257 1.0 0.0 10.0" periodic_surface_id="5"/>
+    <surface id="5" type="plane" boundary="periodic" coeffs="-0.5773502691896257 1.0 0.0 -10.0" periodic_surface_id="4"/>
+    <surface id="6" type="plane" boundary="periodic" coeffs="0.5773502691896257 1.0 0.0 -10.0" periodic_surface_id="3"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
diff --git a/tests/regression_tests/photon_production/inputs_true.dat b/tests/regression_tests/photon_production/inputs_true.dat
index 10f0bad98..07eebaa3e 100644
--- a/tests/regression_tests/photon_production/inputs_true.dat
+++ b/tests/regression_tests/photon_production/inputs_true.dat
@@ -2,28 +2,28 @@
 <model>
   <materials>
     <material id="1">
-      <density units="g/cm3" value="2.6989"/>
-      <nuclide ao="1.0" name="Al27"/>
+      <density value="2.6989" units="g/cm3"/>
+      <nuclide name="Al27" ao="1.0"/>
     </material>
   </materials>
   <geometry>
     <cell id="1" material="void" region="-1 2 -3" universe="1"/>
     <cell id="2" material="1" region="-1 3 -4" universe="1"/>
     <cell id="3" material="void" region="1 | -2 | 4" universe="1"/>
-    <surface boundary="vacuum" coeffs="0.0 0.0 1.0" id="1" type="x-cylinder"/>
-    <surface boundary="vacuum" coeffs="-1.0" id="2" type="x-plane"/>
-    <surface coeffs="1.0" id="3" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="1000000000.0" id="4" type="x-plane"/>
+    <surface id="1" type="x-cylinder" boundary="vacuum" coeffs="0.0 0.0 1.0"/>
+    <surface id="2" type="x-plane" boundary="vacuum" coeffs="-1.0"/>
+    <surface id="3" type="x-plane" coeffs="1.0"/>
+    <surface id="4" type="x-plane" boundary="vacuum" coeffs="1000000000.0"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
     <particles>10000</particles>
     <batches>1</batches>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="point">
         <parameters>0 0 0</parameters>
       </space>
-      <angle reference_uvw="1.0 0.0 0.0" type="monodirectional"/>
+      <angle type="monodirectional" reference_uvw="1.0 0.0 0.0"/>
       <energy type="discrete">
         <parameters>14000000.0 1.0</parameters>
       </energy>
diff --git a/tests/regression_tests/photon_production_fission/inputs_true.dat b/tests/regression_tests/photon_production_fission/inputs_true.dat
index fa379b39e..11a194e3c 100644
--- a/tests/regression_tests/photon_production_fission/inputs_true.dat
+++ b/tests/regression_tests/photon_production_fission/inputs_true.dat
@@ -1,21 +1,21 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1">
-      <density units="g/cm3" value="10.0"/>
-      <nuclide ao="1.0" name="U235"/>
+    <material id="1" depletable="true">
+      <density value="10.0" units="g/cm3"/>
+      <nuclide name="U235" ao="1.0"/>
     </material>
   </materials>
   <geometry>
     <cell id="1" material="1" region="-1" universe="1"/>
-    <surface boundary="reflective" coeffs="0.0 0.0 0.0 100.0" id="1" type="sphere"/>
+    <surface id="1" type="sphere" boundary="reflective" coeffs="0.0 0.0 0.0 100.0"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
     <particles>1000</particles>
     <batches>5</batches>
     <inactive>2</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="point">
         <parameters>0 0 0</parameters>
       </space>
diff --git a/tests/regression_tests/photon_source/inputs_true.dat b/tests/regression_tests/photon_source/inputs_true.dat
index 3d2e05243..adaa5fb42 100644
--- a/tests/regression_tests/photon_source/inputs_true.dat
+++ b/tests/regression_tests/photon_source/inputs_true.dat
@@ -2,22 +2,22 @@
 <model>
   <materials>
     <material id="1">
-      <density units="g/cm3" value="0.998207"/>
-      <nuclide ao="0.11187657362844" name="H1"/>
-      <nuclide ao="1.7426371559999997e-05" name="H2"/>
-      <nuclide ao="0.8877694078259999" name="O16"/>
-      <nuclide ao="0.000336592174" name="O17"/>
+      <density value="0.998207" units="g/cm3"/>
+      <nuclide name="H1" ao="0.11187657362844"/>
+      <nuclide name="H2" ao="1.7426371559999997e-05"/>
+      <nuclide name="O16" ao="0.8877694078259999"/>
+      <nuclide name="O17" ao="0.000336592174"/>
     </material>
   </materials>
   <geometry>
     <cell id="1" material="1" region="-1" universe="1"/>
-    <surface boundary="reflective" coeffs="0.0 0.0 0.0 1000000000.0" id="1" type="sphere"/>
+    <surface id="1" type="sphere" boundary="reflective" coeffs="0.0 0.0 0.0 1000000000.0"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
     <particles>10000</particles>
     <batches>1</batches>
-    <source particle="photon" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="photon">
       <space type="point">
         <parameters>0 0 0</parameters>
       </space>
diff --git a/tests/regression_tests/pulse_height/inputs_true.dat b/tests/regression_tests/pulse_height/inputs_true.dat
index 544ddb097..590928e43 100644
--- a/tests/regression_tests/pulse_height/inputs_true.dat
+++ b/tests/regression_tests/pulse_height/inputs_true.dat
@@ -2,22 +2,22 @@
 <model>
   <materials>
     <material id="1">
-      <density units="g/cc" value="3.7"/>
-      <nuclide ao="1.0" name="Na23"/>
-      <nuclide ao="1.0" name="I127"/>
+      <density value="3.7" units="g/cc"/>
+      <nuclide name="Na23" ao="1.0"/>
+      <nuclide name="I127" ao="1.0"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="inner sphere" region="-1" universe="1"/>
-    <cell id="2" material="void" name="outer sphere" region="1 -2" universe="1"/>
-    <surface coeffs="0.0 0.0 0.0 1" id="1" type="sphere"/>
-    <surface boundary="vacuum" coeffs="0.0 0.0 0.0 2" id="2" type="sphere"/>
+    <cell id="1" name="inner sphere" material="1" region="-1" universe="1"/>
+    <cell id="2" name="outer sphere" material="void" region="1 -2" universe="1"/>
+    <surface id="1" type="sphere" coeffs="0.0 0.0 0.0 1"/>
+    <surface id="2" type="sphere" boundary="vacuum" coeffs="0.0 0.0 0.0 2"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
     <particles>100</particles>
     <batches>5</batches>
-    <source particle="photon" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="photon">
       <space type="point">
         <parameters>0.0 0.0 0.0</parameters>
       </space>
diff --git a/tests/regression_tests/random_ray_adjoint_fixed_source/inputs_true.dat b/tests/regression_tests/random_ray_adjoint_fixed_source/inputs_true.dat
index 65ffd5af7..30e62a885 100644
--- a/tests/regression_tests/random_ray_adjoint_fixed_source/inputs_true.dat
+++ b/tests/regression_tests/random_ray_adjoint_fixed_source/inputs_true.dat
@@ -3,24 +3,24 @@
   <materials>
     <cross_sections>mgxs.h5</cross_sections>
     <material id="1" name="source">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="source"/>
     </material>
     <material id="2" name="void">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="void"/>
     </material>
     <material id="3" name="absorber">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="absorber"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="infinite source region" universe="1"/>
-    <cell id="2" material="2" name="infinite void region" universe="2"/>
-    <cell id="3" material="3" name="infinite absorber region" universe="3"/>
-    <cell fill="4" id="4" universe="5"/>
-    <cell fill="5" id="5" name="full domain" region="1 -2 3 -4 5 -6" universe="6"/>
+    <cell id="1" name="infinite source region" material="1" universe="1"/>
+    <cell id="2" name="infinite void region" material="2" universe="2"/>
+    <cell id="3" name="infinite absorber region" material="3" universe="3"/>
+    <cell id="4" fill="4" universe="5"/>
+    <cell id="5" name="full domain" fill="5" region="1 -2 3 -4 5 -6" universe="6"/>
     <lattice id="4">
       <pitch>2.5 2.5 2.5</pitch>
       <dimension>12 12 12</dimension>
@@ -182,19 +182,19 @@
 3 3 3 3 3 3 3 3 3 3 3 3 
 3 3 3 3 3 3 3 3 3 3 3 3 </universes>
     </lattice>
-    <surface boundary="reflective" coeffs="0.0" id="1" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="30.0" id="2" type="x-plane"/>
-    <surface boundary="reflective" coeffs="0.0" id="3" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="30.0" id="4" type="y-plane"/>
-    <surface boundary="reflective" coeffs="0.0" id="5" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="30.0" id="6" type="z-plane"/>
+    <surface id="1" type="x-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="2" type="x-plane" boundary="vacuum" coeffs="30.0"/>
+    <surface id="3" type="y-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="4" type="y-plane" boundary="vacuum" coeffs="30.0"/>
+    <surface id="5" type="z-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="6" type="z-plane" boundary="vacuum" coeffs="30.0"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
     <particles>500</particles>
     <batches>10</batches>
     <inactive>5</inactive>
-    <source particle="neutron" strength="3.14" type="independent">
+    <source type="independent" strength="3.14" particle="neutron">
       <energy type="discrete">
         <parameters>100.0 1.0</parameters>
       </energy>
@@ -207,7 +207,7 @@
     <random_ray>
       <distance_active>500.0</distance_active>
       <distance_inactive>100.0</distance_inactive>
-      <source particle="neutron" strength="1.0" type="independent">
+      <source type="independent" strength="1.0" particle="neutron">
         <space type="box">
           <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
         </space>
diff --git a/tests/regression_tests/random_ray_adjoint_k_eff/inputs_true.dat b/tests/regression_tests/random_ray_adjoint_k_eff/inputs_true.dat
index 725702a49..cd4e92aa1 100644
--- a/tests/regression_tests/random_ray_adjoint_k_eff/inputs_true.dat
+++ b/tests/regression_tests/random_ray_adjoint_k_eff/inputs_true.dat
@@ -3,32 +3,32 @@
   <materials>
     <cross_sections>mgxs.h5</cross_sections>
     <material id="1" name="UO2 fuel">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="UO2"/>
     </material>
     <material id="2" name="Water">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="LWTR"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="fuel inner a" region="-2" universe="1"/>
-    <cell id="2" material="1" name="fuel inner b" region="2 -3" universe="1"/>
-    <cell id="3" material="1" name="fuel inner c" region="3 -1" universe="1"/>
-    <cell id="4" material="2" name="moderator inner a" region="1 -4" universe="1"/>
-    <cell id="5" material="2" name="moderator outer b" region="4 -5" universe="1"/>
-    <cell id="6" material="2" name="moderator outer c" region="5" universe="1"/>
-    <cell fill="1" id="7" name="azimuthal_cell_0" region="6 -7" universe="2"/>
-    <cell fill="1" id="8" name="azimuthal_cell_1" region="7 -8" universe="2"/>
-    <cell fill="1" id="9" name="azimuthal_cell_2" region="8 -9" universe="2"/>
-    <cell fill="1" id="10" name="azimuthal_cell_3" region="9 -10" universe="2"/>
-    <cell fill="1" id="11" name="azimuthal_cell_4" region="10 -11" universe="2"/>
-    <cell fill="1" id="12" name="azimuthal_cell_5" region="11 -12" universe="2"/>
-    <cell fill="1" id="13" name="azimuthal_cell_6" region="12 -13" universe="2"/>
-    <cell fill="1" id="14" name="azimuthal_cell_7" region="13 -6" universe="2"/>
-    <cell id="15" material="2" name="moderator infinite" universe="3"/>
-    <cell fill="4" id="16" universe="5"/>
-    <cell fill="6" id="17" name="assembly" region="14 -15 16 -17" universe="7"/>
+    <cell id="1" name="fuel inner a" material="1" region="-2" universe="1"/>
+    <cell id="2" name="fuel inner b" material="1" region="2 -3" universe="1"/>
+    <cell id="3" name="fuel inner c" material="1" region="3 -1" universe="1"/>
+    <cell id="4" name="moderator inner a" material="2" region="1 -4" universe="1"/>
+    <cell id="5" name="moderator outer b" material="2" region="4 -5" universe="1"/>
+    <cell id="6" name="moderator outer c" material="2" region="5" universe="1"/>
+    <cell id="7" name="azimuthal_cell_0" fill="1" region="6 -7" universe="2"/>
+    <cell id="8" name="azimuthal_cell_1" fill="1" region="7 -8" universe="2"/>
+    <cell id="9" name="azimuthal_cell_2" fill="1" region="8 -9" universe="2"/>
+    <cell id="10" name="azimuthal_cell_3" fill="1" region="9 -10" universe="2"/>
+    <cell id="11" name="azimuthal_cell_4" fill="1" region="10 -11" universe="2"/>
+    <cell id="12" name="azimuthal_cell_5" fill="1" region="11 -12" universe="2"/>
+    <cell id="13" name="azimuthal_cell_6" fill="1" region="12 -13" universe="2"/>
+    <cell id="14" name="azimuthal_cell_7" fill="1" region="13 -6" universe="2"/>
+    <cell id="15" name="moderator infinite" material="2" universe="3"/>
+    <cell id="16" fill="4" universe="5"/>
+    <cell id="17" name="assembly" fill="6" region="14 -15 16 -17" universe="7"/>
     <lattice id="4">
       <pitch>0.126 0.126</pitch>
       <dimension>10 10</dimension>
@@ -53,23 +53,23 @@
 2 2 
 2 5 </universes>
     </lattice>
-    <surface coeffs="0.0 0.0 0.54" id="1" name="Fuel OR" type="z-cylinder"/>
-    <surface coeffs="0.0 0.0 0.33" id="2" name="inner ring a" type="z-cylinder"/>
-    <surface coeffs="0.0 0.0 0.45" id="3" name="inner ring b" type="z-cylinder"/>
-    <surface coeffs="0.0 0.0 0.6" id="4" name="outer ring a" type="z-cylinder"/>
-    <surface coeffs="0.0 0.0 0.69" id="5" name="outer ring b" type="z-cylinder"/>
-    <surface coeffs="-0.0 1.0 0 0" id="6" type="plane"/>
-    <surface coeffs="-0.7071067811865475 0.7071067811865476 0 0" id="7" type="plane"/>
-    <surface coeffs="-1.0 6.123233995736766e-17 0 0" id="8" type="plane"/>
-    <surface coeffs="-0.7071067811865476 -0.7071067811865475 0 0" id="9" type="plane"/>
-    <surface coeffs="-1.2246467991473532e-16 -1.0 0 0" id="10" type="plane"/>
-    <surface coeffs="0.7071067811865475 -0.7071067811865477 0 0" id="11" type="plane"/>
-    <surface coeffs="1.0 -1.8369701987210297e-16 0 0" id="12" type="plane"/>
-    <surface coeffs="0.7071067811865477 0.7071067811865474 0 0" id="13" type="plane"/>
-    <surface boundary="reflective" coeffs="-1.26" id="14" name="minimum x" type="x-plane"/>
-    <surface boundary="reflective" coeffs="1.26" id="15" name="maximum x" type="x-plane"/>
-    <surface boundary="reflective" coeffs="-1.26" id="16" name="minimum y" type="y-plane"/>
-    <surface boundary="reflective" coeffs="1.26" id="17" name="maximum y" type="y-plane"/>
+    <surface id="1" name="Fuel OR" type="z-cylinder" coeffs="0.0 0.0 0.54"/>
+    <surface id="2" name="inner ring a" type="z-cylinder" coeffs="0.0 0.0 0.33"/>
+    <surface id="3" name="inner ring b" type="z-cylinder" coeffs="0.0 0.0 0.45"/>
+    <surface id="4" name="outer ring a" type="z-cylinder" coeffs="0.0 0.0 0.6"/>
+    <surface id="5" name="outer ring b" type="z-cylinder" coeffs="0.0 0.0 0.69"/>
+    <surface id="6" type="plane" coeffs="-0.0 1.0 0 0"/>
+    <surface id="7" type="plane" coeffs="-0.7071067811865475 0.7071067811865476 0 0"/>
+    <surface id="8" type="plane" coeffs="-1.0 6.123233995736766e-17 0 0"/>
+    <surface id="9" type="plane" coeffs="-0.7071067811865476 -0.7071067811865475 0 0"/>
+    <surface id="10" type="plane" coeffs="-1.2246467991473532e-16 -1.0 0 0"/>
+    <surface id="11" type="plane" coeffs="0.7071067811865475 -0.7071067811865477 0 0"/>
+    <surface id="12" type="plane" coeffs="1.0 -1.8369701987210297e-16 0 0"/>
+    <surface id="13" type="plane" coeffs="0.7071067811865477 0.7071067811865474 0 0"/>
+    <surface id="14" name="minimum x" type="x-plane" boundary="reflective" coeffs="-1.26"/>
+    <surface id="15" name="maximum x" type="x-plane" boundary="reflective" coeffs="1.26"/>
+    <surface id="16" name="minimum y" type="y-plane" boundary="reflective" coeffs="-1.26"/>
+    <surface id="17" name="maximum y" type="y-plane" boundary="reflective" coeffs="1.26"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
@@ -80,7 +80,7 @@
     <random_ray>
       <distance_active>100.0</distance_active>
       <distance_inactive>20.0</distance_inactive>
-      <source particle="neutron" strength="1.0" type="independent">
+      <source type="independent" strength="1.0" particle="neutron">
         <space type="box">
           <parameters>-1.26 -1.26 -1 1.26 1.26 1</parameters>
         </space>
diff --git a/tests/regression_tests/random_ray_auto_convert/infinite_medium/inputs_true.dat b/tests/regression_tests/random_ray_auto_convert/infinite_medium/inputs_true.dat
index 02be4ea7a..464c89a5d 100644
--- a/tests/regression_tests/random_ray_auto_convert/infinite_medium/inputs_true.dat
+++ b/tests/regression_tests/random_ray_auto_convert/infinite_medium/inputs_true.dat
@@ -2,36 +2,36 @@
 <model>
   <materials>
     <cross_sections>mgxs.h5</cross_sections>
-    <material depletable="true" id="1" name="UO2__2_4__">
-      <density units="macro" value="1.0"/>
+    <material id="1" name="UO2__2_4__" depletable="true">
+      <density value="1.0" units="macro"/>
       <macroscopic name="UO2__2_4__"/>
     </material>
     <material id="2" name="Zircaloy">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="Zircaloy"/>
     </material>
     <material id="3" name="Hot_borated_water">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="Hot_borated_water"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="Fuel" region="-1" universe="0"/>
-    <cell id="2" material="2" name="Cladding" region="1 -2" universe="0"/>
-    <cell id="3" material="3" name="Water" region="2 3 -4 5 -6" universe="0"/>
-    <surface coeffs="0 0 0.39218" id="1" name="Fuel OR" type="z-cylinder"/>
-    <surface coeffs="0 0 0.4572" id="2" name="Clad OR" type="z-cylinder"/>
-    <surface boundary="reflective" coeffs="-0.63" id="3" name="left" type="x-plane"/>
-    <surface boundary="reflective" coeffs="0.63" id="4" name="right" type="x-plane"/>
-    <surface boundary="reflective" coeffs="-0.63" id="5" name="bottom" type="y-plane"/>
-    <surface boundary="reflective" coeffs="0.63" id="6" name="top" type="y-plane"/>
+    <cell id="1" name="Fuel" material="1" region="-1" universe="0"/>
+    <cell id="2" name="Cladding" material="2" region="1 -2" universe="0"/>
+    <cell id="3" name="Water" material="3" region="2 3 -4 5 -6" universe="0"/>
+    <surface id="1" name="Fuel OR" type="z-cylinder" coeffs="0 0 0.39218"/>
+    <surface id="2" name="Clad OR" type="z-cylinder" coeffs="0 0 0.4572"/>
+    <surface id="3" name="left" type="x-plane" boundary="reflective" coeffs="-0.63"/>
+    <surface id="4" name="right" type="x-plane" boundary="reflective" coeffs="0.63"/>
+    <surface id="5" name="bottom" type="y-plane" boundary="reflective" coeffs="-0.63"/>
+    <surface id="6" name="top" type="y-plane" boundary="reflective" coeffs="0.63"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
     <particles>100</particles>
     <batches>10</batches>
     <inactive>5</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>-0.63 -0.63 -1 0.63 0.63 1</parameters>
       </space>
@@ -41,7 +41,7 @@
     </source>
     <energy_mode>multi-group</energy_mode>
     <random_ray>
-      <source particle="neutron" strength="1.0" type="independent">
+      <source type="independent" strength="1.0" particle="neutron">
         <space type="box">
           <parameters>-0.63 -0.63 -1.0 0.63 0.63 1.0</parameters>
         </space>
diff --git a/tests/regression_tests/random_ray_auto_convert/material_wise/inputs_true.dat b/tests/regression_tests/random_ray_auto_convert/material_wise/inputs_true.dat
index 02be4ea7a..464c89a5d 100644
--- a/tests/regression_tests/random_ray_auto_convert/material_wise/inputs_true.dat
+++ b/tests/regression_tests/random_ray_auto_convert/material_wise/inputs_true.dat
@@ -2,36 +2,36 @@
 <model>
   <materials>
     <cross_sections>mgxs.h5</cross_sections>
-    <material depletable="true" id="1" name="UO2__2_4__">
-      <density units="macro" value="1.0"/>
+    <material id="1" name="UO2__2_4__" depletable="true">
+      <density value="1.0" units="macro"/>
       <macroscopic name="UO2__2_4__"/>
     </material>
     <material id="2" name="Zircaloy">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="Zircaloy"/>
     </material>
     <material id="3" name="Hot_borated_water">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="Hot_borated_water"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="Fuel" region="-1" universe="0"/>
-    <cell id="2" material="2" name="Cladding" region="1 -2" universe="0"/>
-    <cell id="3" material="3" name="Water" region="2 3 -4 5 -6" universe="0"/>
-    <surface coeffs="0 0 0.39218" id="1" name="Fuel OR" type="z-cylinder"/>
-    <surface coeffs="0 0 0.4572" id="2" name="Clad OR" type="z-cylinder"/>
-    <surface boundary="reflective" coeffs="-0.63" id="3" name="left" type="x-plane"/>
-    <surface boundary="reflective" coeffs="0.63" id="4" name="right" type="x-plane"/>
-    <surface boundary="reflective" coeffs="-0.63" id="5" name="bottom" type="y-plane"/>
-    <surface boundary="reflective" coeffs="0.63" id="6" name="top" type="y-plane"/>
+    <cell id="1" name="Fuel" material="1" region="-1" universe="0"/>
+    <cell id="2" name="Cladding" material="2" region="1 -2" universe="0"/>
+    <cell id="3" name="Water" material="3" region="2 3 -4 5 -6" universe="0"/>
+    <surface id="1" name="Fuel OR" type="z-cylinder" coeffs="0 0 0.39218"/>
+    <surface id="2" name="Clad OR" type="z-cylinder" coeffs="0 0 0.4572"/>
+    <surface id="3" name="left" type="x-plane" boundary="reflective" coeffs="-0.63"/>
+    <surface id="4" name="right" type="x-plane" boundary="reflective" coeffs="0.63"/>
+    <surface id="5" name="bottom" type="y-plane" boundary="reflective" coeffs="-0.63"/>
+    <surface id="6" name="top" type="y-plane" boundary="reflective" coeffs="0.63"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
     <particles>100</particles>
     <batches>10</batches>
     <inactive>5</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>-0.63 -0.63 -1 0.63 0.63 1</parameters>
       </space>
@@ -41,7 +41,7 @@
     </source>
     <energy_mode>multi-group</energy_mode>
     <random_ray>
-      <source particle="neutron" strength="1.0" type="independent">
+      <source type="independent" strength="1.0" particle="neutron">
         <space type="box">
           <parameters>-0.63 -0.63 -1.0 0.63 0.63 1.0</parameters>
         </space>
diff --git a/tests/regression_tests/random_ray_auto_convert/stochastic_slab/inputs_true.dat b/tests/regression_tests/random_ray_auto_convert/stochastic_slab/inputs_true.dat
index 02be4ea7a..464c89a5d 100644
--- a/tests/regression_tests/random_ray_auto_convert/stochastic_slab/inputs_true.dat
+++ b/tests/regression_tests/random_ray_auto_convert/stochastic_slab/inputs_true.dat
@@ -2,36 +2,36 @@
 <model>
   <materials>
     <cross_sections>mgxs.h5</cross_sections>
-    <material depletable="true" id="1" name="UO2__2_4__">
-      <density units="macro" value="1.0"/>
+    <material id="1" name="UO2__2_4__" depletable="true">
+      <density value="1.0" units="macro"/>
       <macroscopic name="UO2__2_4__"/>
     </material>
     <material id="2" name="Zircaloy">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="Zircaloy"/>
     </material>
     <material id="3" name="Hot_borated_water">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="Hot_borated_water"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="Fuel" region="-1" universe="0"/>
-    <cell id="2" material="2" name="Cladding" region="1 -2" universe="0"/>
-    <cell id="3" material="3" name="Water" region="2 3 -4 5 -6" universe="0"/>
-    <surface coeffs="0 0 0.39218" id="1" name="Fuel OR" type="z-cylinder"/>
-    <surface coeffs="0 0 0.4572" id="2" name="Clad OR" type="z-cylinder"/>
-    <surface boundary="reflective" coeffs="-0.63" id="3" name="left" type="x-plane"/>
-    <surface boundary="reflective" coeffs="0.63" id="4" name="right" type="x-plane"/>
-    <surface boundary="reflective" coeffs="-0.63" id="5" name="bottom" type="y-plane"/>
-    <surface boundary="reflective" coeffs="0.63" id="6" name="top" type="y-plane"/>
+    <cell id="1" name="Fuel" material="1" region="-1" universe="0"/>
+    <cell id="2" name="Cladding" material="2" region="1 -2" universe="0"/>
+    <cell id="3" name="Water" material="3" region="2 3 -4 5 -6" universe="0"/>
+    <surface id="1" name="Fuel OR" type="z-cylinder" coeffs="0 0 0.39218"/>
+    <surface id="2" name="Clad OR" type="z-cylinder" coeffs="0 0 0.4572"/>
+    <surface id="3" name="left" type="x-plane" boundary="reflective" coeffs="-0.63"/>
+    <surface id="4" name="right" type="x-plane" boundary="reflective" coeffs="0.63"/>
+    <surface id="5" name="bottom" type="y-plane" boundary="reflective" coeffs="-0.63"/>
+    <surface id="6" name="top" type="y-plane" boundary="reflective" coeffs="0.63"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
     <particles>100</particles>
     <batches>10</batches>
     <inactive>5</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>-0.63 -0.63 -1 0.63 0.63 1</parameters>
       </space>
@@ -41,7 +41,7 @@
     </source>
     <energy_mode>multi-group</energy_mode>
     <random_ray>
-      <source particle="neutron" strength="1.0" type="independent">
+      <source type="independent" strength="1.0" particle="neutron">
         <space type="box">
           <parameters>-0.63 -0.63 -1.0 0.63 0.63 1.0</parameters>
         </space>
diff --git a/tests/regression_tests/random_ray_diagonal_stabilization/inputs_true.dat b/tests/regression_tests/random_ray_diagonal_stabilization/inputs_true.dat
index 4d4ed76dc..47325ebd7 100644
--- a/tests/regression_tests/random_ray_diagonal_stabilization/inputs_true.dat
+++ b/tests/regression_tests/random_ray_diagonal_stabilization/inputs_true.dat
@@ -2,36 +2,36 @@
 <model>
   <materials>
     <cross_sections>mgxs.h5</cross_sections>
-    <material depletable="true" id="1" name="UO2__2_4__">
-      <density units="macro" value="1.0"/>
+    <material id="1" name="UO2__2_4__" depletable="true">
+      <density value="1.0" units="macro"/>
       <macroscopic name="UO2__2_4__"/>
     </material>
     <material id="2" name="Zircaloy">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="Zircaloy"/>
     </material>
     <material id="3" name="Hot_borated_water">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="Hot_borated_water"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="Fuel" region="-1" universe="0"/>
-    <cell id="2" material="2" name="Cladding" region="1 -2" universe="0"/>
-    <cell id="3" material="3" name="Water" region="2 3 -4 5 -6" universe="0"/>
-    <surface coeffs="0 0 0.39218" id="1" name="Fuel OR" type="z-cylinder"/>
-    <surface coeffs="0 0 0.4572" id="2" name="Clad OR" type="z-cylinder"/>
-    <surface boundary="reflective" coeffs="-0.63" id="3" name="left" type="x-plane"/>
-    <surface boundary="reflective" coeffs="0.63" id="4" name="right" type="x-plane"/>
-    <surface boundary="reflective" coeffs="-0.63" id="5" name="bottom" type="y-plane"/>
-    <surface boundary="reflective" coeffs="0.63" id="6" name="top" type="y-plane"/>
+    <cell id="1" name="Fuel" material="1" region="-1" universe="0"/>
+    <cell id="2" name="Cladding" material="2" region="1 -2" universe="0"/>
+    <cell id="3" name="Water" material="3" region="2 3 -4 5 -6" universe="0"/>
+    <surface id="1" name="Fuel OR" type="z-cylinder" coeffs="0 0 0.39218"/>
+    <surface id="2" name="Clad OR" type="z-cylinder" coeffs="0 0 0.4572"/>
+    <surface id="3" name="left" type="x-plane" boundary="reflective" coeffs="-0.63"/>
+    <surface id="4" name="right" type="x-plane" boundary="reflective" coeffs="0.63"/>
+    <surface id="5" name="bottom" type="y-plane" boundary="reflective" coeffs="-0.63"/>
+    <surface id="6" name="top" type="y-plane" boundary="reflective" coeffs="0.63"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
     <particles>100</particles>
     <batches>20</batches>
     <inactive>15</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>-0.63 -0.63 -1 0.63 0.63 1</parameters>
       </space>
@@ -41,7 +41,7 @@
     </source>
     <energy_mode>multi-group</energy_mode>
     <random_ray>
-      <source particle="neutron" strength="1.0" type="independent">
+      <source type="independent" strength="1.0" particle="neutron">
         <space type="box">
           <parameters>-0.63 -0.63 -1.0 0.63 0.63 1.0</parameters>
         </space>
diff --git a/tests/regression_tests/random_ray_fixed_source_domain/cell/inputs_true.dat b/tests/regression_tests/random_ray_fixed_source_domain/cell/inputs_true.dat
index d6ca8918c..4b8af76aa 100644
--- a/tests/regression_tests/random_ray_fixed_source_domain/cell/inputs_true.dat
+++ b/tests/regression_tests/random_ray_fixed_source_domain/cell/inputs_true.dat
@@ -3,24 +3,24 @@
   <materials>
     <cross_sections>mgxs.h5</cross_sections>
     <material id="1" name="source">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="source"/>
     </material>
     <material id="2" name="void">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="void"/>
     </material>
     <material id="3" name="absorber">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="absorber"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="infinite source region" universe="1"/>
-    <cell id="2" material="2" name="infinite void region" universe="2"/>
-    <cell id="3" material="3" name="infinite absorber region" universe="3"/>
-    <cell fill="4" id="4" universe="5"/>
-    <cell fill="5" id="5" name="full domain" region="1 -2 3 -4 5 -6" universe="6"/>
+    <cell id="1" name="infinite source region" material="1" universe="1"/>
+    <cell id="2" name="infinite void region" material="2" universe="2"/>
+    <cell id="3" name="infinite absorber region" material="3" universe="3"/>
+    <cell id="4" fill="4" universe="5"/>
+    <cell id="5" name="full domain" fill="5" region="1 -2 3 -4 5 -6" universe="6"/>
     <lattice id="4">
       <pitch>2.5 2.5 2.5</pitch>
       <dimension>12 12 12</dimension>
@@ -182,19 +182,19 @@
 3 3 3 3 3 3 3 3 3 3 3 3 
 3 3 3 3 3 3 3 3 3 3 3 3 </universes>
     </lattice>
-    <surface boundary="reflective" coeffs="0.0" id="1" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="30.0" id="2" type="x-plane"/>
-    <surface boundary="reflective" coeffs="0.0" id="3" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="30.0" id="4" type="y-plane"/>
-    <surface boundary="reflective" coeffs="0.0" id="5" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="30.0" id="6" type="z-plane"/>
+    <surface id="1" type="x-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="2" type="x-plane" boundary="vacuum" coeffs="30.0"/>
+    <surface id="3" type="y-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="4" type="y-plane" boundary="vacuum" coeffs="30.0"/>
+    <surface id="5" type="z-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="6" type="z-plane" boundary="vacuum" coeffs="30.0"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
     <particles>90</particles>
     <batches>10</batches>
     <inactive>5</inactive>
-    <source particle="neutron" strength="3.14" type="independent">
+    <source type="independent" strength="3.14" particle="neutron">
       <energy type="discrete">
         <parameters>100.0 1.0</parameters>
       </energy>
@@ -207,7 +207,7 @@
     <random_ray>
       <distance_active>500.0</distance_active>
       <distance_inactive>100.0</distance_inactive>
-      <source particle="neutron" strength="1.0" type="independent">
+      <source type="independent" strength="1.0" particle="neutron">
         <space type="box">
           <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
         </space>
diff --git a/tests/regression_tests/random_ray_fixed_source_domain/material/inputs_true.dat b/tests/regression_tests/random_ray_fixed_source_domain/material/inputs_true.dat
index 7fae491ae..82fe48b61 100644
--- a/tests/regression_tests/random_ray_fixed_source_domain/material/inputs_true.dat
+++ b/tests/regression_tests/random_ray_fixed_source_domain/material/inputs_true.dat
@@ -3,24 +3,24 @@
   <materials>
     <cross_sections>mgxs.h5</cross_sections>
     <material id="1" name="source">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="source"/>
     </material>
     <material id="2" name="void">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="void"/>
     </material>
     <material id="3" name="absorber">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="absorber"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="infinite source region" universe="1"/>
-    <cell id="2" material="2" name="infinite void region" universe="2"/>
-    <cell id="3" material="3" name="infinite absorber region" universe="3"/>
-    <cell fill="4" id="4" universe="5"/>
-    <cell fill="5" id="5" name="full domain" region="1 -2 3 -4 5 -6" universe="6"/>
+    <cell id="1" name="infinite source region" material="1" universe="1"/>
+    <cell id="2" name="infinite void region" material="2" universe="2"/>
+    <cell id="3" name="infinite absorber region" material="3" universe="3"/>
+    <cell id="4" fill="4" universe="5"/>
+    <cell id="5" name="full domain" fill="5" region="1 -2 3 -4 5 -6" universe="6"/>
     <lattice id="4">
       <pitch>2.5 2.5 2.5</pitch>
       <dimension>12 12 12</dimension>
@@ -182,19 +182,19 @@
 3 3 3 3 3 3 3 3 3 3 3 3 
 3 3 3 3 3 3 3 3 3 3 3 3 </universes>
     </lattice>
-    <surface boundary="reflective" coeffs="0.0" id="1" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="30.0" id="2" type="x-plane"/>
-    <surface boundary="reflective" coeffs="0.0" id="3" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="30.0" id="4" type="y-plane"/>
-    <surface boundary="reflective" coeffs="0.0" id="5" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="30.0" id="6" type="z-plane"/>
+    <surface id="1" type="x-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="2" type="x-plane" boundary="vacuum" coeffs="30.0"/>
+    <surface id="3" type="y-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="4" type="y-plane" boundary="vacuum" coeffs="30.0"/>
+    <surface id="5" type="z-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="6" type="z-plane" boundary="vacuum" coeffs="30.0"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
     <particles>90</particles>
     <batches>10</batches>
     <inactive>5</inactive>
-    <source particle="neutron" strength="3.14" type="independent">
+    <source type="independent" strength="3.14" particle="neutron">
       <energy type="discrete">
         <parameters>100.0 1.0</parameters>
       </energy>
@@ -207,7 +207,7 @@
     <random_ray>
       <distance_active>500.0</distance_active>
       <distance_inactive>100.0</distance_inactive>
-      <source particle="neutron" strength="1.0" type="independent">
+      <source type="independent" strength="1.0" particle="neutron">
         <space type="box">
           <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
         </space>
diff --git a/tests/regression_tests/random_ray_fixed_source_domain/universe/inputs_true.dat b/tests/regression_tests/random_ray_fixed_source_domain/universe/inputs_true.dat
index 75d84efe9..c4fd06f42 100644
--- a/tests/regression_tests/random_ray_fixed_source_domain/universe/inputs_true.dat
+++ b/tests/regression_tests/random_ray_fixed_source_domain/universe/inputs_true.dat
@@ -3,24 +3,24 @@
   <materials>
     <cross_sections>mgxs.h5</cross_sections>
     <material id="1" name="source">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="source"/>
     </material>
     <material id="2" name="void">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="void"/>
     </material>
     <material id="3" name="absorber">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="absorber"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="infinite source region" universe="1"/>
-    <cell id="2" material="2" name="infinite void region" universe="2"/>
-    <cell id="3" material="3" name="infinite absorber region" universe="3"/>
-    <cell fill="4" id="4" universe="5"/>
-    <cell fill="5" id="5" name="full domain" region="1 -2 3 -4 5 -6" universe="6"/>
+    <cell id="1" name="infinite source region" material="1" universe="1"/>
+    <cell id="2" name="infinite void region" material="2" universe="2"/>
+    <cell id="3" name="infinite absorber region" material="3" universe="3"/>
+    <cell id="4" fill="4" universe="5"/>
+    <cell id="5" name="full domain" fill="5" region="1 -2 3 -4 5 -6" universe="6"/>
     <lattice id="4">
       <pitch>2.5 2.5 2.5</pitch>
       <dimension>12 12 12</dimension>
@@ -182,19 +182,19 @@
 3 3 3 3 3 3 3 3 3 3 3 3 
 3 3 3 3 3 3 3 3 3 3 3 3 </universes>
     </lattice>
-    <surface boundary="reflective" coeffs="0.0" id="1" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="30.0" id="2" type="x-plane"/>
-    <surface boundary="reflective" coeffs="0.0" id="3" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="30.0" id="4" type="y-plane"/>
-    <surface boundary="reflective" coeffs="0.0" id="5" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="30.0" id="6" type="z-plane"/>
+    <surface id="1" type="x-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="2" type="x-plane" boundary="vacuum" coeffs="30.0"/>
+    <surface id="3" type="y-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="4" type="y-plane" boundary="vacuum" coeffs="30.0"/>
+    <surface id="5" type="z-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="6" type="z-plane" boundary="vacuum" coeffs="30.0"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
     <particles>90</particles>
     <batches>10</batches>
     <inactive>5</inactive>
-    <source particle="neutron" strength="3.14" type="independent">
+    <source type="independent" strength="3.14" particle="neutron">
       <energy type="discrete">
         <parameters>100.0 1.0</parameters>
       </energy>
@@ -207,7 +207,7 @@
     <random_ray>
       <distance_active>500.0</distance_active>
       <distance_inactive>100.0</distance_inactive>
-      <source particle="neutron" strength="1.0" type="independent">
+      <source type="independent" strength="1.0" particle="neutron">
         <space type="box">
           <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
         </space>
diff --git a/tests/regression_tests/random_ray_fixed_source_linear/linear/inputs_true.dat b/tests/regression_tests/random_ray_fixed_source_linear/linear/inputs_true.dat
index 6ef3f0871..4085b0c7a 100644
--- a/tests/regression_tests/random_ray_fixed_source_linear/linear/inputs_true.dat
+++ b/tests/regression_tests/random_ray_fixed_source_linear/linear/inputs_true.dat
@@ -3,24 +3,24 @@
   <materials>
     <cross_sections>mgxs.h5</cross_sections>
     <material id="1" name="source">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="source"/>
     </material>
     <material id="2" name="void">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="void"/>
     </material>
     <material id="3" name="absorber">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="absorber"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="infinite source region" universe="1"/>
-    <cell id="2" material="2" name="infinite void region" universe="2"/>
-    <cell id="3" material="3" name="infinite absorber region" universe="3"/>
-    <cell fill="4" id="4" universe="5"/>
-    <cell fill="5" id="5" name="full domain" region="1 -2 3 -4 5 -6" universe="6"/>
+    <cell id="1" name="infinite source region" material="1" universe="1"/>
+    <cell id="2" name="infinite void region" material="2" universe="2"/>
+    <cell id="3" name="infinite absorber region" material="3" universe="3"/>
+    <cell id="4" fill="4" universe="5"/>
+    <cell id="5" name="full domain" fill="5" region="1 -2 3 -4 5 -6" universe="6"/>
     <lattice id="4">
       <pitch>2.5 2.5 2.5</pitch>
       <dimension>12 12 12</dimension>
@@ -182,19 +182,19 @@
 3 3 3 3 3 3 3 3 3 3 3 3 
 3 3 3 3 3 3 3 3 3 3 3 3 </universes>
     </lattice>
-    <surface boundary="reflective" coeffs="0.0" id="1" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="30.0" id="2" type="x-plane"/>
-    <surface boundary="reflective" coeffs="0.0" id="3" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="30.0" id="4" type="y-plane"/>
-    <surface boundary="reflective" coeffs="0.0" id="5" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="30.0" id="6" type="z-plane"/>
+    <surface id="1" type="x-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="2" type="x-plane" boundary="vacuum" coeffs="30.0"/>
+    <surface id="3" type="y-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="4" type="y-plane" boundary="vacuum" coeffs="30.0"/>
+    <surface id="5" type="z-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="6" type="z-plane" boundary="vacuum" coeffs="30.0"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
     <particles>90</particles>
     <batches>40</batches>
     <inactive>20</inactive>
-    <source particle="neutron" strength="3.14" type="independent">
+    <source type="independent" strength="3.14" particle="neutron">
       <energy type="discrete">
         <parameters>100.0 1.0</parameters>
       </energy>
@@ -207,7 +207,7 @@
     <random_ray>
       <distance_active>500.0</distance_active>
       <distance_inactive>100.0</distance_inactive>
-      <source particle="neutron" strength="1.0" type="independent">
+      <source type="independent" strength="1.0" particle="neutron">
         <space type="box">
           <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
         </space>
diff --git a/tests/regression_tests/random_ray_fixed_source_linear/linear_xy/inputs_true.dat b/tests/regression_tests/random_ray_fixed_source_linear/linear_xy/inputs_true.dat
index 805c53fe6..ff085d2fb 100644
--- a/tests/regression_tests/random_ray_fixed_source_linear/linear_xy/inputs_true.dat
+++ b/tests/regression_tests/random_ray_fixed_source_linear/linear_xy/inputs_true.dat
@@ -3,24 +3,24 @@
   <materials>
     <cross_sections>mgxs.h5</cross_sections>
     <material id="1" name="source">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="source"/>
     </material>
     <material id="2" name="void">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="void"/>
     </material>
     <material id="3" name="absorber">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="absorber"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="infinite source region" universe="1"/>
-    <cell id="2" material="2" name="infinite void region" universe="2"/>
-    <cell id="3" material="3" name="infinite absorber region" universe="3"/>
-    <cell fill="4" id="4" universe="5"/>
-    <cell fill="5" id="5" name="full domain" region="1 -2 3 -4 5 -6" universe="6"/>
+    <cell id="1" name="infinite source region" material="1" universe="1"/>
+    <cell id="2" name="infinite void region" material="2" universe="2"/>
+    <cell id="3" name="infinite absorber region" material="3" universe="3"/>
+    <cell id="4" fill="4" universe="5"/>
+    <cell id="5" name="full domain" fill="5" region="1 -2 3 -4 5 -6" universe="6"/>
     <lattice id="4">
       <pitch>2.5 2.5 2.5</pitch>
       <dimension>12 12 12</dimension>
@@ -182,19 +182,19 @@
 3 3 3 3 3 3 3 3 3 3 3 3 
 3 3 3 3 3 3 3 3 3 3 3 3 </universes>
     </lattice>
-    <surface boundary="reflective" coeffs="0.0" id="1" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="30.0" id="2" type="x-plane"/>
-    <surface boundary="reflective" coeffs="0.0" id="3" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="30.0" id="4" type="y-plane"/>
-    <surface boundary="reflective" coeffs="0.0" id="5" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="30.0" id="6" type="z-plane"/>
+    <surface id="1" type="x-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="2" type="x-plane" boundary="vacuum" coeffs="30.0"/>
+    <surface id="3" type="y-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="4" type="y-plane" boundary="vacuum" coeffs="30.0"/>
+    <surface id="5" type="z-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="6" type="z-plane" boundary="vacuum" coeffs="30.0"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
     <particles>90</particles>
     <batches>40</batches>
     <inactive>20</inactive>
-    <source particle="neutron" strength="3.14" type="independent">
+    <source type="independent" strength="3.14" particle="neutron">
       <energy type="discrete">
         <parameters>100.0 1.0</parameters>
       </energy>
@@ -207,7 +207,7 @@
     <random_ray>
       <distance_active>500.0</distance_active>
       <distance_inactive>100.0</distance_inactive>
-      <source particle="neutron" strength="1.0" type="independent">
+      <source type="independent" strength="1.0" particle="neutron">
         <space type="box">
           <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
         </space>
diff --git a/tests/regression_tests/random_ray_fixed_source_mesh/flat/inputs_true.dat b/tests/regression_tests/random_ray_fixed_source_mesh/flat/inputs_true.dat
index 67c2ffc15..12c4d74ed 100644
--- a/tests/regression_tests/random_ray_fixed_source_mesh/flat/inputs_true.dat
+++ b/tests/regression_tests/random_ray_fixed_source_mesh/flat/inputs_true.dat
@@ -3,24 +3,24 @@
   <materials>
     <cross_sections>mgxs.h5</cross_sections>
     <material id="1" name="source">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="source"/>
     </material>
     <material id="2" name="void">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="void"/>
     </material>
     <material id="3" name="absorber">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="absorber"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="infinite source region" universe="1"/>
-    <cell id="2" material="2" name="infinite void region" universe="2"/>
-    <cell id="3" material="3" name="infinite absorber region" universe="3"/>
-    <cell fill="4" id="4" universe="5"/>
-    <cell fill="5" id="5" name="full domain" region="1 -2 3 -4 5 -6" universe="6"/>
+    <cell id="1" name="infinite source region" material="1" universe="1"/>
+    <cell id="2" name="infinite void region" material="2" universe="2"/>
+    <cell id="3" name="infinite absorber region" material="3" universe="3"/>
+    <cell id="4" fill="4" universe="5"/>
+    <cell id="5" name="full domain" fill="5" region="1 -2 3 -4 5 -6" universe="6"/>
     <lattice id="4">
       <pitch>2.5 2.5 2.5</pitch>
       <dimension>12 12 12</dimension>
@@ -182,19 +182,19 @@
 3 3 3 3 3 3 3 3 3 3 3 3 
 3 3 3 3 3 3 3 3 3 3 3 3 </universes>
     </lattice>
-    <surface boundary="reflective" coeffs="0.0" id="1" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="30.0" id="2" type="x-plane"/>
-    <surface boundary="reflective" coeffs="0.0" id="3" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="30.0" id="4" type="y-plane"/>
-    <surface boundary="reflective" coeffs="0.0" id="5" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="30.0" id="6" type="z-plane"/>
+    <surface id="1" type="x-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="2" type="x-plane" boundary="vacuum" coeffs="30.0"/>
+    <surface id="3" type="y-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="4" type="y-plane" boundary="vacuum" coeffs="30.0"/>
+    <surface id="5" type="z-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="6" type="z-plane" boundary="vacuum" coeffs="30.0"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
     <particles>90</particles>
     <batches>30</batches>
     <inactive>15</inactive>
-    <source particle="neutron" strength="3.14" type="independent">
+    <source type="independent" strength="3.14" particle="neutron">
       <energy type="discrete">
         <parameters>100.0 1.0</parameters>
       </energy>
@@ -207,7 +207,7 @@
     <random_ray>
       <distance_active>500.0</distance_active>
       <distance_inactive>100.0</distance_inactive>
-      <source particle="neutron" strength="1.0" type="independent">
+      <source type="independent" strength="1.0" particle="neutron">
         <space type="box">
           <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
         </space>
diff --git a/tests/regression_tests/random_ray_fixed_source_mesh/linear/inputs_true.dat b/tests/regression_tests/random_ray_fixed_source_mesh/linear/inputs_true.dat
index 10b7c74f1..07adb1ff5 100644
--- a/tests/regression_tests/random_ray_fixed_source_mesh/linear/inputs_true.dat
+++ b/tests/regression_tests/random_ray_fixed_source_mesh/linear/inputs_true.dat
@@ -3,24 +3,24 @@
   <materials>
     <cross_sections>mgxs.h5</cross_sections>
     <material id="1" name="source">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="source"/>
     </material>
     <material id="2" name="void">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="void"/>
     </material>
     <material id="3" name="absorber">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="absorber"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="infinite source region" universe="1"/>
-    <cell id="2" material="2" name="infinite void region" universe="2"/>
-    <cell id="3" material="3" name="infinite absorber region" universe="3"/>
-    <cell fill="4" id="4" universe="5"/>
-    <cell fill="5" id="5" name="full domain" region="1 -2 3 -4 5 -6" universe="6"/>
+    <cell id="1" name="infinite source region" material="1" universe="1"/>
+    <cell id="2" name="infinite void region" material="2" universe="2"/>
+    <cell id="3" name="infinite absorber region" material="3" universe="3"/>
+    <cell id="4" fill="4" universe="5"/>
+    <cell id="5" name="full domain" fill="5" region="1 -2 3 -4 5 -6" universe="6"/>
     <lattice id="4">
       <pitch>2.5 2.5 2.5</pitch>
       <dimension>12 12 12</dimension>
@@ -182,19 +182,19 @@
 3 3 3 3 3 3 3 3 3 3 3 3 
 3 3 3 3 3 3 3 3 3 3 3 3 </universes>
     </lattice>
-    <surface boundary="reflective" coeffs="0.0" id="1" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="30.0" id="2" type="x-plane"/>
-    <surface boundary="reflective" coeffs="0.0" id="3" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="30.0" id="4" type="y-plane"/>
-    <surface boundary="reflective" coeffs="0.0" id="5" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="30.0" id="6" type="z-plane"/>
+    <surface id="1" type="x-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="2" type="x-plane" boundary="vacuum" coeffs="30.0"/>
+    <surface id="3" type="y-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="4" type="y-plane" boundary="vacuum" coeffs="30.0"/>
+    <surface id="5" type="z-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="6" type="z-plane" boundary="vacuum" coeffs="30.0"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
     <particles>90</particles>
     <batches>30</batches>
     <inactive>15</inactive>
-    <source particle="neutron" strength="3.14" type="independent">
+    <source type="independent" strength="3.14" particle="neutron">
       <energy type="discrete">
         <parameters>100.0 1.0</parameters>
       </energy>
@@ -207,7 +207,7 @@
     <random_ray>
       <distance_active>500.0</distance_active>
       <distance_inactive>100.0</distance_inactive>
-      <source particle="neutron" strength="1.0" type="independent">
+      <source type="independent" strength="1.0" particle="neutron">
         <space type="box">
           <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
         </space>
diff --git a/tests/regression_tests/random_ray_fixed_source_normalization/False/inputs_true.dat b/tests/regression_tests/random_ray_fixed_source_normalization/False/inputs_true.dat
index 559cff0f0..ab077ae8a 100644
--- a/tests/regression_tests/random_ray_fixed_source_normalization/False/inputs_true.dat
+++ b/tests/regression_tests/random_ray_fixed_source_normalization/False/inputs_true.dat
@@ -3,24 +3,24 @@
   <materials>
     <cross_sections>mgxs.h5</cross_sections>
     <material id="1" name="source">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="source"/>
     </material>
     <material id="2" name="void">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="void"/>
     </material>
     <material id="3" name="absorber">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="absorber"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="infinite source region" universe="1"/>
-    <cell id="2" material="2" name="infinite void region" universe="2"/>
-    <cell id="3" material="3" name="infinite absorber region" universe="3"/>
-    <cell fill="4" id="4" universe="5"/>
-    <cell fill="5" id="5" name="full domain" region="1 -2 3 -4 5 -6" universe="6"/>
+    <cell id="1" name="infinite source region" material="1" universe="1"/>
+    <cell id="2" name="infinite void region" material="2" universe="2"/>
+    <cell id="3" name="infinite absorber region" material="3" universe="3"/>
+    <cell id="4" fill="4" universe="5"/>
+    <cell id="5" name="full domain" fill="5" region="1 -2 3 -4 5 -6" universe="6"/>
     <lattice id="4">
       <pitch>2.5 2.5 2.5</pitch>
       <dimension>12 12 12</dimension>
@@ -182,19 +182,19 @@
 3 3 3 3 3 3 3 3 3 3 3 3 
 3 3 3 3 3 3 3 3 3 3 3 3 </universes>
     </lattice>
-    <surface boundary="reflective" coeffs="0.0" id="1" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="30.0" id="2" type="x-plane"/>
-    <surface boundary="reflective" coeffs="0.0" id="3" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="30.0" id="4" type="y-plane"/>
-    <surface boundary="reflective" coeffs="0.0" id="5" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="30.0" id="6" type="z-plane"/>
+    <surface id="1" type="x-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="2" type="x-plane" boundary="vacuum" coeffs="30.0"/>
+    <surface id="3" type="y-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="4" type="y-plane" boundary="vacuum" coeffs="30.0"/>
+    <surface id="5" type="z-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="6" type="z-plane" boundary="vacuum" coeffs="30.0"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
     <particles>90</particles>
     <batches>10</batches>
     <inactive>5</inactive>
-    <source particle="neutron" strength="3.14" type="independent">
+    <source type="independent" strength="3.14" particle="neutron">
       <energy type="discrete">
         <parameters>100.0 1.0</parameters>
       </energy>
@@ -207,7 +207,7 @@
     <random_ray>
       <distance_active>500.0</distance_active>
       <distance_inactive>100.0</distance_inactive>
-      <source particle="neutron" strength="1.0" type="independent">
+      <source type="independent" strength="1.0" particle="neutron">
         <space type="box">
           <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
         </space>
diff --git a/tests/regression_tests/random_ray_fixed_source_normalization/True/inputs_true.dat b/tests/regression_tests/random_ray_fixed_source_normalization/True/inputs_true.dat
index 75d84efe9..c4fd06f42 100644
--- a/tests/regression_tests/random_ray_fixed_source_normalization/True/inputs_true.dat
+++ b/tests/regression_tests/random_ray_fixed_source_normalization/True/inputs_true.dat
@@ -3,24 +3,24 @@
   <materials>
     <cross_sections>mgxs.h5</cross_sections>
     <material id="1" name="source">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="source"/>
     </material>
     <material id="2" name="void">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="void"/>
     </material>
     <material id="3" name="absorber">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="absorber"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="infinite source region" universe="1"/>
-    <cell id="2" material="2" name="infinite void region" universe="2"/>
-    <cell id="3" material="3" name="infinite absorber region" universe="3"/>
-    <cell fill="4" id="4" universe="5"/>
-    <cell fill="5" id="5" name="full domain" region="1 -2 3 -4 5 -6" universe="6"/>
+    <cell id="1" name="infinite source region" material="1" universe="1"/>
+    <cell id="2" name="infinite void region" material="2" universe="2"/>
+    <cell id="3" name="infinite absorber region" material="3" universe="3"/>
+    <cell id="4" fill="4" universe="5"/>
+    <cell id="5" name="full domain" fill="5" region="1 -2 3 -4 5 -6" universe="6"/>
     <lattice id="4">
       <pitch>2.5 2.5 2.5</pitch>
       <dimension>12 12 12</dimension>
@@ -182,19 +182,19 @@
 3 3 3 3 3 3 3 3 3 3 3 3 
 3 3 3 3 3 3 3 3 3 3 3 3 </universes>
     </lattice>
-    <surface boundary="reflective" coeffs="0.0" id="1" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="30.0" id="2" type="x-plane"/>
-    <surface boundary="reflective" coeffs="0.0" id="3" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="30.0" id="4" type="y-plane"/>
-    <surface boundary="reflective" coeffs="0.0" id="5" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="30.0" id="6" type="z-plane"/>
+    <surface id="1" type="x-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="2" type="x-plane" boundary="vacuum" coeffs="30.0"/>
+    <surface id="3" type="y-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="4" type="y-plane" boundary="vacuum" coeffs="30.0"/>
+    <surface id="5" type="z-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="6" type="z-plane" boundary="vacuum" coeffs="30.0"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
     <particles>90</particles>
     <batches>10</batches>
     <inactive>5</inactive>
-    <source particle="neutron" strength="3.14" type="independent">
+    <source type="independent" strength="3.14" particle="neutron">
       <energy type="discrete">
         <parameters>100.0 1.0</parameters>
       </energy>
@@ -207,7 +207,7 @@
     <random_ray>
       <distance_active>500.0</distance_active>
       <distance_inactive>100.0</distance_inactive>
-      <source particle="neutron" strength="1.0" type="independent">
+      <source type="independent" strength="1.0" particle="neutron">
         <space type="box">
           <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
         </space>
diff --git a/tests/regression_tests/random_ray_fixed_source_subcritical/flat/inputs_true.dat b/tests/regression_tests/random_ray_fixed_source_subcritical/flat/inputs_true.dat
index 0bf4cfdc9..a124b5e3c 100644
--- a/tests/regression_tests/random_ray_fixed_source_subcritical/flat/inputs_true.dat
+++ b/tests/regression_tests/random_ray_fixed_source_subcritical/flat/inputs_true.dat
@@ -3,34 +3,34 @@
   <materials>
     <cross_sections>mgxs.h5</cross_sections>
     <material id="1" name="UO2 fuel">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="UO2"/>
     </material>
     <material id="2" name="Water">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="LWTR"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="fuel inner a" region="-2" universe="1"/>
-    <cell id="2" material="1" name="fuel inner b" region="2 -3" universe="1"/>
-    <cell id="3" material="1" name="fuel inner c" region="3 -1" universe="1"/>
-    <cell id="4" material="2" name="moderator inner a" region="1 -4" universe="1"/>
-    <cell id="5" material="2" name="moderator outer b" region="4 -5" universe="1"/>
-    <cell id="6" material="2" name="moderator outer c" region="5" universe="1"/>
-    <cell fill="1" id="7" name="azimuthal_cell_0" region="6 -7" universe="2"/>
-    <cell fill="1" id="8" name="azimuthal_cell_1" region="7 -8" universe="2"/>
-    <cell fill="1" id="9" name="azimuthal_cell_2" region="8 -9" universe="2"/>
-    <cell fill="1" id="10" name="azimuthal_cell_3" region="9 -10" universe="2"/>
-    <cell fill="1" id="11" name="azimuthal_cell_4" region="10 -11" universe="2"/>
-    <cell fill="1" id="12" name="azimuthal_cell_5" region="11 -12" universe="2"/>
-    <cell fill="1" id="13" name="azimuthal_cell_6" region="12 -13" universe="2"/>
-    <cell fill="1" id="14" name="azimuthal_cell_7" region="13 -6" universe="2"/>
-    <cell id="18" material="2" name="moderator infinite" universe="8"/>
-    <cell id="19" material="2" name="moderator infinite 2" universe="9"/>
-    <cell fill="10" id="20" universe="12"/>
-    <cell fill="11" id="21" universe="13"/>
-    <cell fill="14" id="22" name="assembly" region="18 -19 20 -21" universe="15"/>
+    <cell id="1" name="fuel inner a" material="1" region="-2" universe="1"/>
+    <cell id="2" name="fuel inner b" material="1" region="2 -3" universe="1"/>
+    <cell id="3" name="fuel inner c" material="1" region="3 -1" universe="1"/>
+    <cell id="4" name="moderator inner a" material="2" region="1 -4" universe="1"/>
+    <cell id="5" name="moderator outer b" material="2" region="4 -5" universe="1"/>
+    <cell id="6" name="moderator outer c" material="2" region="5" universe="1"/>
+    <cell id="7" name="azimuthal_cell_0" fill="1" region="6 -7" universe="2"/>
+    <cell id="8" name="azimuthal_cell_1" fill="1" region="7 -8" universe="2"/>
+    <cell id="9" name="azimuthal_cell_2" fill="1" region="8 -9" universe="2"/>
+    <cell id="10" name="azimuthal_cell_3" fill="1" region="9 -10" universe="2"/>
+    <cell id="11" name="azimuthal_cell_4" fill="1" region="10 -11" universe="2"/>
+    <cell id="12" name="azimuthal_cell_5" fill="1" region="11 -12" universe="2"/>
+    <cell id="13" name="azimuthal_cell_6" fill="1" region="12 -13" universe="2"/>
+    <cell id="14" name="azimuthal_cell_7" fill="1" region="13 -6" universe="2"/>
+    <cell id="18" name="moderator infinite" material="2" universe="8"/>
+    <cell id="19" name="moderator infinite 2" material="2" universe="9"/>
+    <cell id="20" fill="10" universe="12"/>
+    <cell id="21" fill="11" universe="13"/>
+    <cell id="22" name="assembly" fill="14" region="18 -19 20 -21" universe="15"/>
     <lattice id="10">
       <pitch>0.126 0.126</pitch>
       <dimension>10 10</dimension>
@@ -71,30 +71,30 @@
 2 12 
 12 13 </universes>
     </lattice>
-    <surface coeffs="0.0 0.0 0.54" id="1" name="Fuel OR" type="z-cylinder"/>
-    <surface coeffs="0.0 0.0 0.33" id="2" name="inner ring a" type="z-cylinder"/>
-    <surface coeffs="0.0 0.0 0.45" id="3" name="inner ring b" type="z-cylinder"/>
-    <surface coeffs="0.0 0.0 0.6" id="4" name="outer ring a" type="z-cylinder"/>
-    <surface coeffs="0.0 0.0 0.69" id="5" name="outer ring b" type="z-cylinder"/>
-    <surface coeffs="-0.0 1.0 0 0" id="6" type="plane"/>
-    <surface coeffs="-0.7071067811865475 0.7071067811865476 0 0" id="7" type="plane"/>
-    <surface coeffs="-1.0 6.123233995736766e-17 0 0" id="8" type="plane"/>
-    <surface coeffs="-0.7071067811865476 -0.7071067811865475 0 0" id="9" type="plane"/>
-    <surface coeffs="-1.2246467991473532e-16 -1.0 0 0" id="10" type="plane"/>
-    <surface coeffs="0.7071067811865475 -0.7071067811865477 0 0" id="11" type="plane"/>
-    <surface coeffs="1.0 -1.8369701987210297e-16 0 0" id="12" type="plane"/>
-    <surface coeffs="0.7071067811865477 0.7071067811865474 0 0" id="13" type="plane"/>
-    <surface boundary="reflective" coeffs="-1.26" id="18" name="minimum x" type="x-plane"/>
-    <surface boundary="reflective" coeffs="1.26" id="19" name="maximum x" type="x-plane"/>
-    <surface boundary="reflective" coeffs="-1.26" id="20" name="minimum y" type="y-plane"/>
-    <surface boundary="reflective" coeffs="1.26" id="21" name="maximum y" type="y-plane"/>
+    <surface id="1" name="Fuel OR" type="z-cylinder" coeffs="0.0 0.0 0.54"/>
+    <surface id="2" name="inner ring a" type="z-cylinder" coeffs="0.0 0.0 0.33"/>
+    <surface id="3" name="inner ring b" type="z-cylinder" coeffs="0.0 0.0 0.45"/>
+    <surface id="4" name="outer ring a" type="z-cylinder" coeffs="0.0 0.0 0.6"/>
+    <surface id="5" name="outer ring b" type="z-cylinder" coeffs="0.0 0.0 0.69"/>
+    <surface id="6" type="plane" coeffs="-0.0 1.0 0 0"/>
+    <surface id="7" type="plane" coeffs="-0.7071067811865475 0.7071067811865476 0 0"/>
+    <surface id="8" type="plane" coeffs="-1.0 6.123233995736766e-17 0 0"/>
+    <surface id="9" type="plane" coeffs="-0.7071067811865476 -0.7071067811865475 0 0"/>
+    <surface id="10" type="plane" coeffs="-1.2246467991473532e-16 -1.0 0 0"/>
+    <surface id="11" type="plane" coeffs="0.7071067811865475 -0.7071067811865477 0 0"/>
+    <surface id="12" type="plane" coeffs="1.0 -1.8369701987210297e-16 0 0"/>
+    <surface id="13" type="plane" coeffs="0.7071067811865477 0.7071067811865474 0 0"/>
+    <surface id="18" name="minimum x" type="x-plane" boundary="reflective" coeffs="-1.26"/>
+    <surface id="19" name="maximum x" type="x-plane" boundary="reflective" coeffs="1.26"/>
+    <surface id="20" name="minimum y" type="y-plane" boundary="reflective" coeffs="-1.26"/>
+    <surface id="21" name="maximum y" type="y-plane" boundary="reflective" coeffs="1.26"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
     <particles>30</particles>
     <batches>125</batches>
     <inactive>100</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>1.134 -1.26 -1.0 1.26 -1.134 1.0</parameters>
       </space>
@@ -110,7 +110,7 @@
     <random_ray>
       <distance_active>40.0</distance_active>
       <distance_inactive>40.0</distance_inactive>
-      <source particle="neutron" strength="1.0" type="independent">
+      <source type="independent" strength="1.0" particle="neutron">
         <space type="box">
           <parameters>-1.26 -1.26 -1 1.26 1.26 1</parameters>
         </space>
diff --git a/tests/regression_tests/random_ray_fixed_source_subcritical/linear_xy/inputs_true.dat b/tests/regression_tests/random_ray_fixed_source_subcritical/linear_xy/inputs_true.dat
index f7572a072..cc557afb6 100644
--- a/tests/regression_tests/random_ray_fixed_source_subcritical/linear_xy/inputs_true.dat
+++ b/tests/regression_tests/random_ray_fixed_source_subcritical/linear_xy/inputs_true.dat
@@ -3,34 +3,34 @@
   <materials>
     <cross_sections>mgxs.h5</cross_sections>
     <material id="1" name="UO2 fuel">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="UO2"/>
     </material>
     <material id="2" name="Water">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="LWTR"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="fuel inner a" region="-2" universe="1"/>
-    <cell id="2" material="1" name="fuel inner b" region="2 -3" universe="1"/>
-    <cell id="3" material="1" name="fuel inner c" region="3 -1" universe="1"/>
-    <cell id="4" material="2" name="moderator inner a" region="1 -4" universe="1"/>
-    <cell id="5" material="2" name="moderator outer b" region="4 -5" universe="1"/>
-    <cell id="6" material="2" name="moderator outer c" region="5" universe="1"/>
-    <cell fill="1" id="7" name="azimuthal_cell_0" region="6 -7" universe="2"/>
-    <cell fill="1" id="8" name="azimuthal_cell_1" region="7 -8" universe="2"/>
-    <cell fill="1" id="9" name="azimuthal_cell_2" region="8 -9" universe="2"/>
-    <cell fill="1" id="10" name="azimuthal_cell_3" region="9 -10" universe="2"/>
-    <cell fill="1" id="11" name="azimuthal_cell_4" region="10 -11" universe="2"/>
-    <cell fill="1" id="12" name="azimuthal_cell_5" region="11 -12" universe="2"/>
-    <cell fill="1" id="13" name="azimuthal_cell_6" region="12 -13" universe="2"/>
-    <cell fill="1" id="14" name="azimuthal_cell_7" region="13 -6" universe="2"/>
-    <cell id="18" material="2" name="moderator infinite" universe="8"/>
-    <cell id="19" material="2" name="moderator infinite 2" universe="9"/>
-    <cell fill="10" id="20" universe="12"/>
-    <cell fill="11" id="21" universe="13"/>
-    <cell fill="14" id="22" name="assembly" region="18 -19 20 -21" universe="15"/>
+    <cell id="1" name="fuel inner a" material="1" region="-2" universe="1"/>
+    <cell id="2" name="fuel inner b" material="1" region="2 -3" universe="1"/>
+    <cell id="3" name="fuel inner c" material="1" region="3 -1" universe="1"/>
+    <cell id="4" name="moderator inner a" material="2" region="1 -4" universe="1"/>
+    <cell id="5" name="moderator outer b" material="2" region="4 -5" universe="1"/>
+    <cell id="6" name="moderator outer c" material="2" region="5" universe="1"/>
+    <cell id="7" name="azimuthal_cell_0" fill="1" region="6 -7" universe="2"/>
+    <cell id="8" name="azimuthal_cell_1" fill="1" region="7 -8" universe="2"/>
+    <cell id="9" name="azimuthal_cell_2" fill="1" region="8 -9" universe="2"/>
+    <cell id="10" name="azimuthal_cell_3" fill="1" region="9 -10" universe="2"/>
+    <cell id="11" name="azimuthal_cell_4" fill="1" region="10 -11" universe="2"/>
+    <cell id="12" name="azimuthal_cell_5" fill="1" region="11 -12" universe="2"/>
+    <cell id="13" name="azimuthal_cell_6" fill="1" region="12 -13" universe="2"/>
+    <cell id="14" name="azimuthal_cell_7" fill="1" region="13 -6" universe="2"/>
+    <cell id="18" name="moderator infinite" material="2" universe="8"/>
+    <cell id="19" name="moderator infinite 2" material="2" universe="9"/>
+    <cell id="20" fill="10" universe="12"/>
+    <cell id="21" fill="11" universe="13"/>
+    <cell id="22" name="assembly" fill="14" region="18 -19 20 -21" universe="15"/>
     <lattice id="10">
       <pitch>0.126 0.126</pitch>
       <dimension>10 10</dimension>
@@ -71,30 +71,30 @@
 2 12 
 12 13 </universes>
     </lattice>
-    <surface coeffs="0.0 0.0 0.54" id="1" name="Fuel OR" type="z-cylinder"/>
-    <surface coeffs="0.0 0.0 0.33" id="2" name="inner ring a" type="z-cylinder"/>
-    <surface coeffs="0.0 0.0 0.45" id="3" name="inner ring b" type="z-cylinder"/>
-    <surface coeffs="0.0 0.0 0.6" id="4" name="outer ring a" type="z-cylinder"/>
-    <surface coeffs="0.0 0.0 0.69" id="5" name="outer ring b" type="z-cylinder"/>
-    <surface coeffs="-0.0 1.0 0 0" id="6" type="plane"/>
-    <surface coeffs="-0.7071067811865475 0.7071067811865476 0 0" id="7" type="plane"/>
-    <surface coeffs="-1.0 6.123233995736766e-17 0 0" id="8" type="plane"/>
-    <surface coeffs="-0.7071067811865476 -0.7071067811865475 0 0" id="9" type="plane"/>
-    <surface coeffs="-1.2246467991473532e-16 -1.0 0 0" id="10" type="plane"/>
-    <surface coeffs="0.7071067811865475 -0.7071067811865477 0 0" id="11" type="plane"/>
-    <surface coeffs="1.0 -1.8369701987210297e-16 0 0" id="12" type="plane"/>
-    <surface coeffs="0.7071067811865477 0.7071067811865474 0 0" id="13" type="plane"/>
-    <surface boundary="reflective" coeffs="-1.26" id="18" name="minimum x" type="x-plane"/>
-    <surface boundary="reflective" coeffs="1.26" id="19" name="maximum x" type="x-plane"/>
-    <surface boundary="reflective" coeffs="-1.26" id="20" name="minimum y" type="y-plane"/>
-    <surface boundary="reflective" coeffs="1.26" id="21" name="maximum y" type="y-plane"/>
+    <surface id="1" name="Fuel OR" type="z-cylinder" coeffs="0.0 0.0 0.54"/>
+    <surface id="2" name="inner ring a" type="z-cylinder" coeffs="0.0 0.0 0.33"/>
+    <surface id="3" name="inner ring b" type="z-cylinder" coeffs="0.0 0.0 0.45"/>
+    <surface id="4" name="outer ring a" type="z-cylinder" coeffs="0.0 0.0 0.6"/>
+    <surface id="5" name="outer ring b" type="z-cylinder" coeffs="0.0 0.0 0.69"/>
+    <surface id="6" type="plane" coeffs="-0.0 1.0 0 0"/>
+    <surface id="7" type="plane" coeffs="-0.7071067811865475 0.7071067811865476 0 0"/>
+    <surface id="8" type="plane" coeffs="-1.0 6.123233995736766e-17 0 0"/>
+    <surface id="9" type="plane" coeffs="-0.7071067811865476 -0.7071067811865475 0 0"/>
+    <surface id="10" type="plane" coeffs="-1.2246467991473532e-16 -1.0 0 0"/>
+    <surface id="11" type="plane" coeffs="0.7071067811865475 -0.7071067811865477 0 0"/>
+    <surface id="12" type="plane" coeffs="1.0 -1.8369701987210297e-16 0 0"/>
+    <surface id="13" type="plane" coeffs="0.7071067811865477 0.7071067811865474 0 0"/>
+    <surface id="18" name="minimum x" type="x-plane" boundary="reflective" coeffs="-1.26"/>
+    <surface id="19" name="maximum x" type="x-plane" boundary="reflective" coeffs="1.26"/>
+    <surface id="20" name="minimum y" type="y-plane" boundary="reflective" coeffs="-1.26"/>
+    <surface id="21" name="maximum y" type="y-plane" boundary="reflective" coeffs="1.26"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
     <particles>30</particles>
     <batches>125</batches>
     <inactive>100</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>1.134 -1.26 -1.0 1.26 -1.134 1.0</parameters>
       </space>
@@ -110,7 +110,7 @@
     <random_ray>
       <distance_active>40.0</distance_active>
       <distance_inactive>40.0</distance_inactive>
-      <source particle="neutron" strength="1.0" type="independent">
+      <source type="independent" strength="1.0" particle="neutron">
         <space type="box">
           <parameters>-1.26 -1.26 -1 1.26 1.26 1</parameters>
         </space>
diff --git a/tests/regression_tests/random_ray_halton_samples/inputs_true.dat b/tests/regression_tests/random_ray_halton_samples/inputs_true.dat
index 624ab495f..3f058e45c 100644
--- a/tests/regression_tests/random_ray_halton_samples/inputs_true.dat
+++ b/tests/regression_tests/random_ray_halton_samples/inputs_true.dat
@@ -3,32 +3,32 @@
   <materials>
     <cross_sections>mgxs.h5</cross_sections>
     <material id="1" name="UO2 fuel">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="UO2"/>
     </material>
     <material id="2" name="Water">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="LWTR"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="fuel inner a" region="-2" universe="1"/>
-    <cell id="2" material="1" name="fuel inner b" region="2 -3" universe="1"/>
-    <cell id="3" material="1" name="fuel inner c" region="3 -1" universe="1"/>
-    <cell id="4" material="2" name="moderator inner a" region="1 -4" universe="1"/>
-    <cell id="5" material="2" name="moderator outer b" region="4 -5" universe="1"/>
-    <cell id="6" material="2" name="moderator outer c" region="5" universe="1"/>
-    <cell fill="1" id="7" name="azimuthal_cell_0" region="6 -7" universe="2"/>
-    <cell fill="1" id="8" name="azimuthal_cell_1" region="7 -8" universe="2"/>
-    <cell fill="1" id="9" name="azimuthal_cell_2" region="8 -9" universe="2"/>
-    <cell fill="1" id="10" name="azimuthal_cell_3" region="9 -10" universe="2"/>
-    <cell fill="1" id="11" name="azimuthal_cell_4" region="10 -11" universe="2"/>
-    <cell fill="1" id="12" name="azimuthal_cell_5" region="11 -12" universe="2"/>
-    <cell fill="1" id="13" name="azimuthal_cell_6" region="12 -13" universe="2"/>
-    <cell fill="1" id="14" name="azimuthal_cell_7" region="13 -6" universe="2"/>
-    <cell id="15" material="2" name="moderator infinite" universe="3"/>
-    <cell fill="4" id="16" universe="5"/>
-    <cell fill="6" id="17" name="assembly" region="14 -15 16 -17" universe="7"/>
+    <cell id="1" name="fuel inner a" material="1" region="-2" universe="1"/>
+    <cell id="2" name="fuel inner b" material="1" region="2 -3" universe="1"/>
+    <cell id="3" name="fuel inner c" material="1" region="3 -1" universe="1"/>
+    <cell id="4" name="moderator inner a" material="2" region="1 -4" universe="1"/>
+    <cell id="5" name="moderator outer b" material="2" region="4 -5" universe="1"/>
+    <cell id="6" name="moderator outer c" material="2" region="5" universe="1"/>
+    <cell id="7" name="azimuthal_cell_0" fill="1" region="6 -7" universe="2"/>
+    <cell id="8" name="azimuthal_cell_1" fill="1" region="7 -8" universe="2"/>
+    <cell id="9" name="azimuthal_cell_2" fill="1" region="8 -9" universe="2"/>
+    <cell id="10" name="azimuthal_cell_3" fill="1" region="9 -10" universe="2"/>
+    <cell id="11" name="azimuthal_cell_4" fill="1" region="10 -11" universe="2"/>
+    <cell id="12" name="azimuthal_cell_5" fill="1" region="11 -12" universe="2"/>
+    <cell id="13" name="azimuthal_cell_6" fill="1" region="12 -13" universe="2"/>
+    <cell id="14" name="azimuthal_cell_7" fill="1" region="13 -6" universe="2"/>
+    <cell id="15" name="moderator infinite" material="2" universe="3"/>
+    <cell id="16" fill="4" universe="5"/>
+    <cell id="17" name="assembly" fill="6" region="14 -15 16 -17" universe="7"/>
     <lattice id="4">
       <pitch>0.126 0.126</pitch>
       <dimension>10 10</dimension>
@@ -53,23 +53,23 @@
 2 2 
 2 5 </universes>
     </lattice>
-    <surface coeffs="0.0 0.0 0.54" id="1" name="Fuel OR" type="z-cylinder"/>
-    <surface coeffs="0.0 0.0 0.33" id="2" name="inner ring a" type="z-cylinder"/>
-    <surface coeffs="0.0 0.0 0.45" id="3" name="inner ring b" type="z-cylinder"/>
-    <surface coeffs="0.0 0.0 0.6" id="4" name="outer ring a" type="z-cylinder"/>
-    <surface coeffs="0.0 0.0 0.69" id="5" name="outer ring b" type="z-cylinder"/>
-    <surface coeffs="-0.0 1.0 0 0" id="6" type="plane"/>
-    <surface coeffs="-0.7071067811865475 0.7071067811865476 0 0" id="7" type="plane"/>
-    <surface coeffs="-1.0 6.123233995736766e-17 0 0" id="8" type="plane"/>
-    <surface coeffs="-0.7071067811865476 -0.7071067811865475 0 0" id="9" type="plane"/>
-    <surface coeffs="-1.2246467991473532e-16 -1.0 0 0" id="10" type="plane"/>
-    <surface coeffs="0.7071067811865475 -0.7071067811865477 0 0" id="11" type="plane"/>
-    <surface coeffs="1.0 -1.8369701987210297e-16 0 0" id="12" type="plane"/>
-    <surface coeffs="0.7071067811865477 0.7071067811865474 0 0" id="13" type="plane"/>
-    <surface boundary="reflective" coeffs="-1.26" id="14" name="minimum x" type="x-plane"/>
-    <surface boundary="reflective" coeffs="1.26" id="15" name="maximum x" type="x-plane"/>
-    <surface boundary="reflective" coeffs="-1.26" id="16" name="minimum y" type="y-plane"/>
-    <surface boundary="reflective" coeffs="1.26" id="17" name="maximum y" type="y-plane"/>
+    <surface id="1" name="Fuel OR" type="z-cylinder" coeffs="0.0 0.0 0.54"/>
+    <surface id="2" name="inner ring a" type="z-cylinder" coeffs="0.0 0.0 0.33"/>
+    <surface id="3" name="inner ring b" type="z-cylinder" coeffs="0.0 0.0 0.45"/>
+    <surface id="4" name="outer ring a" type="z-cylinder" coeffs="0.0 0.0 0.6"/>
+    <surface id="5" name="outer ring b" type="z-cylinder" coeffs="0.0 0.0 0.69"/>
+    <surface id="6" type="plane" coeffs="-0.0 1.0 0 0"/>
+    <surface id="7" type="plane" coeffs="-0.7071067811865475 0.7071067811865476 0 0"/>
+    <surface id="8" type="plane" coeffs="-1.0 6.123233995736766e-17 0 0"/>
+    <surface id="9" type="plane" coeffs="-0.7071067811865476 -0.7071067811865475 0 0"/>
+    <surface id="10" type="plane" coeffs="-1.2246467991473532e-16 -1.0 0 0"/>
+    <surface id="11" type="plane" coeffs="0.7071067811865475 -0.7071067811865477 0 0"/>
+    <surface id="12" type="plane" coeffs="1.0 -1.8369701987210297e-16 0 0"/>
+    <surface id="13" type="plane" coeffs="0.7071067811865477 0.7071067811865474 0 0"/>
+    <surface id="14" name="minimum x" type="x-plane" boundary="reflective" coeffs="-1.26"/>
+    <surface id="15" name="maximum x" type="x-plane" boundary="reflective" coeffs="1.26"/>
+    <surface id="16" name="minimum y" type="y-plane" boundary="reflective" coeffs="-1.26"/>
+    <surface id="17" name="maximum y" type="y-plane" boundary="reflective" coeffs="1.26"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
@@ -80,7 +80,7 @@
     <random_ray>
       <distance_active>100.0</distance_active>
       <distance_inactive>20.0</distance_inactive>
-      <source particle="neutron" strength="1.0" type="independent">
+      <source type="independent" strength="1.0" particle="neutron">
         <space type="box">
           <parameters>-1.26 -1.26 -1 1.26 1.26 1</parameters>
         </space>
diff --git a/tests/regression_tests/random_ray_k_eff/inputs_true.dat b/tests/regression_tests/random_ray_k_eff/inputs_true.dat
index a2b058f2b..33c9cac33 100644
--- a/tests/regression_tests/random_ray_k_eff/inputs_true.dat
+++ b/tests/regression_tests/random_ray_k_eff/inputs_true.dat
@@ -3,32 +3,32 @@
   <materials>
     <cross_sections>mgxs.h5</cross_sections>
     <material id="1" name="UO2 fuel">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="UO2"/>
     </material>
     <material id="2" name="Water">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="LWTR"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="fuel inner a" region="-2" universe="1"/>
-    <cell id="2" material="1" name="fuel inner b" region="2 -3" universe="1"/>
-    <cell id="3" material="1" name="fuel inner c" region="3 -1" universe="1"/>
-    <cell id="4" material="2" name="moderator inner a" region="1 -4" universe="1"/>
-    <cell id="5" material="2" name="moderator outer b" region="4 -5" universe="1"/>
-    <cell id="6" material="2" name="moderator outer c" region="5" universe="1"/>
-    <cell fill="1" id="7" name="azimuthal_cell_0" region="6 -7" universe="2"/>
-    <cell fill="1" id="8" name="azimuthal_cell_1" region="7 -8" universe="2"/>
-    <cell fill="1" id="9" name="azimuthal_cell_2" region="8 -9" universe="2"/>
-    <cell fill="1" id="10" name="azimuthal_cell_3" region="9 -10" universe="2"/>
-    <cell fill="1" id="11" name="azimuthal_cell_4" region="10 -11" universe="2"/>
-    <cell fill="1" id="12" name="azimuthal_cell_5" region="11 -12" universe="2"/>
-    <cell fill="1" id="13" name="azimuthal_cell_6" region="12 -13" universe="2"/>
-    <cell fill="1" id="14" name="azimuthal_cell_7" region="13 -6" universe="2"/>
-    <cell id="15" material="2" name="moderator infinite" universe="3"/>
-    <cell fill="4" id="16" universe="5"/>
-    <cell fill="6" id="17" name="assembly" region="14 -15 16 -17" universe="7"/>
+    <cell id="1" name="fuel inner a" material="1" region="-2" universe="1"/>
+    <cell id="2" name="fuel inner b" material="1" region="2 -3" universe="1"/>
+    <cell id="3" name="fuel inner c" material="1" region="3 -1" universe="1"/>
+    <cell id="4" name="moderator inner a" material="2" region="1 -4" universe="1"/>
+    <cell id="5" name="moderator outer b" material="2" region="4 -5" universe="1"/>
+    <cell id="6" name="moderator outer c" material="2" region="5" universe="1"/>
+    <cell id="7" name="azimuthal_cell_0" fill="1" region="6 -7" universe="2"/>
+    <cell id="8" name="azimuthal_cell_1" fill="1" region="7 -8" universe="2"/>
+    <cell id="9" name="azimuthal_cell_2" fill="1" region="8 -9" universe="2"/>
+    <cell id="10" name="azimuthal_cell_3" fill="1" region="9 -10" universe="2"/>
+    <cell id="11" name="azimuthal_cell_4" fill="1" region="10 -11" universe="2"/>
+    <cell id="12" name="azimuthal_cell_5" fill="1" region="11 -12" universe="2"/>
+    <cell id="13" name="azimuthal_cell_6" fill="1" region="12 -13" universe="2"/>
+    <cell id="14" name="azimuthal_cell_7" fill="1" region="13 -6" universe="2"/>
+    <cell id="15" name="moderator infinite" material="2" universe="3"/>
+    <cell id="16" fill="4" universe="5"/>
+    <cell id="17" name="assembly" fill="6" region="14 -15 16 -17" universe="7"/>
     <lattice id="4">
       <pitch>0.126 0.126</pitch>
       <dimension>10 10</dimension>
@@ -53,23 +53,23 @@
 2 2 
 2 5 </universes>
     </lattice>
-    <surface coeffs="0.0 0.0 0.54" id="1" name="Fuel OR" type="z-cylinder"/>
-    <surface coeffs="0.0 0.0 0.33" id="2" name="inner ring a" type="z-cylinder"/>
-    <surface coeffs="0.0 0.0 0.45" id="3" name="inner ring b" type="z-cylinder"/>
-    <surface coeffs="0.0 0.0 0.6" id="4" name="outer ring a" type="z-cylinder"/>
-    <surface coeffs="0.0 0.0 0.69" id="5" name="outer ring b" type="z-cylinder"/>
-    <surface coeffs="-0.0 1.0 0 0" id="6" type="plane"/>
-    <surface coeffs="-0.7071067811865475 0.7071067811865476 0 0" id="7" type="plane"/>
-    <surface coeffs="-1.0 6.123233995736766e-17 0 0" id="8" type="plane"/>
-    <surface coeffs="-0.7071067811865476 -0.7071067811865475 0 0" id="9" type="plane"/>
-    <surface coeffs="-1.2246467991473532e-16 -1.0 0 0" id="10" type="plane"/>
-    <surface coeffs="0.7071067811865475 -0.7071067811865477 0 0" id="11" type="plane"/>
-    <surface coeffs="1.0 -1.8369701987210297e-16 0 0" id="12" type="plane"/>
-    <surface coeffs="0.7071067811865477 0.7071067811865474 0 0" id="13" type="plane"/>
-    <surface boundary="reflective" coeffs="-1.26" id="14" name="minimum x" type="x-plane"/>
-    <surface boundary="reflective" coeffs="1.26" id="15" name="maximum x" type="x-plane"/>
-    <surface boundary="reflective" coeffs="-1.26" id="16" name="minimum y" type="y-plane"/>
-    <surface boundary="reflective" coeffs="1.26" id="17" name="maximum y" type="y-plane"/>
+    <surface id="1" name="Fuel OR" type="z-cylinder" coeffs="0.0 0.0 0.54"/>
+    <surface id="2" name="inner ring a" type="z-cylinder" coeffs="0.0 0.0 0.33"/>
+    <surface id="3" name="inner ring b" type="z-cylinder" coeffs="0.0 0.0 0.45"/>
+    <surface id="4" name="outer ring a" type="z-cylinder" coeffs="0.0 0.0 0.6"/>
+    <surface id="5" name="outer ring b" type="z-cylinder" coeffs="0.0 0.0 0.69"/>
+    <surface id="6" type="plane" coeffs="-0.0 1.0 0 0"/>
+    <surface id="7" type="plane" coeffs="-0.7071067811865475 0.7071067811865476 0 0"/>
+    <surface id="8" type="plane" coeffs="-1.0 6.123233995736766e-17 0 0"/>
+    <surface id="9" type="plane" coeffs="-0.7071067811865476 -0.7071067811865475 0 0"/>
+    <surface id="10" type="plane" coeffs="-1.2246467991473532e-16 -1.0 0 0"/>
+    <surface id="11" type="plane" coeffs="0.7071067811865475 -0.7071067811865477 0 0"/>
+    <surface id="12" type="plane" coeffs="1.0 -1.8369701987210297e-16 0 0"/>
+    <surface id="13" type="plane" coeffs="0.7071067811865477 0.7071067811865474 0 0"/>
+    <surface id="14" name="minimum x" type="x-plane" boundary="reflective" coeffs="-1.26"/>
+    <surface id="15" name="maximum x" type="x-plane" boundary="reflective" coeffs="1.26"/>
+    <surface id="16" name="minimum y" type="y-plane" boundary="reflective" coeffs="-1.26"/>
+    <surface id="17" name="maximum y" type="y-plane" boundary="reflective" coeffs="1.26"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
@@ -80,7 +80,7 @@
     <random_ray>
       <distance_active>100.0</distance_active>
       <distance_inactive>20.0</distance_inactive>
-      <source particle="neutron" strength="1.0" type="independent">
+      <source type="independent" strength="1.0" particle="neutron">
         <space type="box">
           <parameters>-1.26 -1.26 -1 1.26 1.26 1</parameters>
         </space>
diff --git a/tests/regression_tests/random_ray_k_eff_mesh/inputs_true.dat b/tests/regression_tests/random_ray_k_eff_mesh/inputs_true.dat
index cdc717198..f0822d9f9 100644
--- a/tests/regression_tests/random_ray_k_eff_mesh/inputs_true.dat
+++ b/tests/regression_tests/random_ray_k_eff_mesh/inputs_true.dat
@@ -3,32 +3,32 @@
   <materials>
     <cross_sections>mgxs.h5</cross_sections>
     <material id="1" name="UO2 fuel">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="UO2"/>
     </material>
     <material id="2" name="Water">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="LWTR"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="fuel inner a" region="-2" universe="1"/>
-    <cell id="2" material="1" name="fuel inner b" region="2 -3" universe="1"/>
-    <cell id="3" material="1" name="fuel inner c" region="3 -1" universe="1"/>
-    <cell id="4" material="2" name="moderator inner a" region="1 -4" universe="1"/>
-    <cell id="5" material="2" name="moderator outer b" region="4 -5" universe="1"/>
-    <cell id="6" material="2" name="moderator outer c" region="5" universe="1"/>
-    <cell fill="1" id="7" name="azimuthal_cell_0" region="6 -7" universe="2"/>
-    <cell fill="1" id="8" name="azimuthal_cell_1" region="7 -8" universe="2"/>
-    <cell fill="1" id="9" name="azimuthal_cell_2" region="8 -9" universe="2"/>
-    <cell fill="1" id="10" name="azimuthal_cell_3" region="9 -10" universe="2"/>
-    <cell fill="1" id="11" name="azimuthal_cell_4" region="10 -11" universe="2"/>
-    <cell fill="1" id="12" name="azimuthal_cell_5" region="11 -12" universe="2"/>
-    <cell fill="1" id="13" name="azimuthal_cell_6" region="12 -13" universe="2"/>
-    <cell fill="1" id="14" name="azimuthal_cell_7" region="13 -6" universe="2"/>
-    <cell id="15" material="2" name="moderator infinite" universe="3"/>
-    <cell fill="4" id="16" universe="5"/>
-    <cell fill="6" id="17" name="assembly" region="14 -15 16 -17" universe="7"/>
+    <cell id="1" name="fuel inner a" material="1" region="-2" universe="1"/>
+    <cell id="2" name="fuel inner b" material="1" region="2 -3" universe="1"/>
+    <cell id="3" name="fuel inner c" material="1" region="3 -1" universe="1"/>
+    <cell id="4" name="moderator inner a" material="2" region="1 -4" universe="1"/>
+    <cell id="5" name="moderator outer b" material="2" region="4 -5" universe="1"/>
+    <cell id="6" name="moderator outer c" material="2" region="5" universe="1"/>
+    <cell id="7" name="azimuthal_cell_0" fill="1" region="6 -7" universe="2"/>
+    <cell id="8" name="azimuthal_cell_1" fill="1" region="7 -8" universe="2"/>
+    <cell id="9" name="azimuthal_cell_2" fill="1" region="8 -9" universe="2"/>
+    <cell id="10" name="azimuthal_cell_3" fill="1" region="9 -10" universe="2"/>
+    <cell id="11" name="azimuthal_cell_4" fill="1" region="10 -11" universe="2"/>
+    <cell id="12" name="azimuthal_cell_5" fill="1" region="11 -12" universe="2"/>
+    <cell id="13" name="azimuthal_cell_6" fill="1" region="12 -13" universe="2"/>
+    <cell id="14" name="azimuthal_cell_7" fill="1" region="13 -6" universe="2"/>
+    <cell id="15" name="moderator infinite" material="2" universe="3"/>
+    <cell id="16" fill="4" universe="5"/>
+    <cell id="17" name="assembly" fill="6" region="14 -15 16 -17" universe="7"/>
     <lattice id="4">
       <pitch>0.126 0.126</pitch>
       <dimension>10 10</dimension>
@@ -53,23 +53,23 @@
 2 2 
 2 5 </universes>
     </lattice>
-    <surface coeffs="0.0 0.0 0.54" id="1" name="Fuel OR" type="z-cylinder"/>
-    <surface coeffs="0.0 0.0 0.33" id="2" name="inner ring a" type="z-cylinder"/>
-    <surface coeffs="0.0 0.0 0.45" id="3" name="inner ring b" type="z-cylinder"/>
-    <surface coeffs="0.0 0.0 0.6" id="4" name="outer ring a" type="z-cylinder"/>
-    <surface coeffs="0.0 0.0 0.69" id="5" name="outer ring b" type="z-cylinder"/>
-    <surface coeffs="-0.0 1.0 0 0" id="6" type="plane"/>
-    <surface coeffs="-0.7071067811865475 0.7071067811865476 0 0" id="7" type="plane"/>
-    <surface coeffs="-1.0 6.123233995736766e-17 0 0" id="8" type="plane"/>
-    <surface coeffs="-0.7071067811865476 -0.7071067811865475 0 0" id="9" type="plane"/>
-    <surface coeffs="-1.2246467991473532e-16 -1.0 0 0" id="10" type="plane"/>
-    <surface coeffs="0.7071067811865475 -0.7071067811865477 0 0" id="11" type="plane"/>
-    <surface coeffs="1.0 -1.8369701987210297e-16 0 0" id="12" type="plane"/>
-    <surface coeffs="0.7071067811865477 0.7071067811865474 0 0" id="13" type="plane"/>
-    <surface boundary="reflective" coeffs="-1.26" id="14" name="minimum x" type="x-plane"/>
-    <surface boundary="reflective" coeffs="1.26" id="15" name="maximum x" type="x-plane"/>
-    <surface boundary="reflective" coeffs="-1.26" id="16" name="minimum y" type="y-plane"/>
-    <surface boundary="reflective" coeffs="1.26" id="17" name="maximum y" type="y-plane"/>
+    <surface id="1" name="Fuel OR" type="z-cylinder" coeffs="0.0 0.0 0.54"/>
+    <surface id="2" name="inner ring a" type="z-cylinder" coeffs="0.0 0.0 0.33"/>
+    <surface id="3" name="inner ring b" type="z-cylinder" coeffs="0.0 0.0 0.45"/>
+    <surface id="4" name="outer ring a" type="z-cylinder" coeffs="0.0 0.0 0.6"/>
+    <surface id="5" name="outer ring b" type="z-cylinder" coeffs="0.0 0.0 0.69"/>
+    <surface id="6" type="plane" coeffs="-0.0 1.0 0 0"/>
+    <surface id="7" type="plane" coeffs="-0.7071067811865475 0.7071067811865476 0 0"/>
+    <surface id="8" type="plane" coeffs="-1.0 6.123233995736766e-17 0 0"/>
+    <surface id="9" type="plane" coeffs="-0.7071067811865476 -0.7071067811865475 0 0"/>
+    <surface id="10" type="plane" coeffs="-1.2246467991473532e-16 -1.0 0 0"/>
+    <surface id="11" type="plane" coeffs="0.7071067811865475 -0.7071067811865477 0 0"/>
+    <surface id="12" type="plane" coeffs="1.0 -1.8369701987210297e-16 0 0"/>
+    <surface id="13" type="plane" coeffs="0.7071067811865477 0.7071067811865474 0 0"/>
+    <surface id="14" name="minimum x" type="x-plane" boundary="reflective" coeffs="-1.26"/>
+    <surface id="15" name="maximum x" type="x-plane" boundary="reflective" coeffs="1.26"/>
+    <surface id="16" name="minimum y" type="y-plane" boundary="reflective" coeffs="-1.26"/>
+    <surface id="17" name="maximum y" type="y-plane" boundary="reflective" coeffs="1.26"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
@@ -80,7 +80,7 @@
     <random_ray>
       <distance_active>100.0</distance_active>
       <distance_inactive>20.0</distance_inactive>
-      <source particle="neutron" strength="1.0" type="independent">
+      <source type="independent" strength="1.0" particle="neutron">
         <space type="box">
           <parameters>-1.26 -1.26 -1 1.26 1.26 1</parameters>
         </space>
diff --git a/tests/regression_tests/random_ray_linear/linear/inputs_true.dat b/tests/regression_tests/random_ray_linear/linear/inputs_true.dat
index 4df51bad5..006996557 100644
--- a/tests/regression_tests/random_ray_linear/linear/inputs_true.dat
+++ b/tests/regression_tests/random_ray_linear/linear/inputs_true.dat
@@ -3,32 +3,32 @@
   <materials>
     <cross_sections>mgxs.h5</cross_sections>
     <material id="1" name="UO2 fuel">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="UO2"/>
     </material>
     <material id="2" name="Water">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="LWTR"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="fuel inner a" region="-2" universe="1"/>
-    <cell id="2" material="1" name="fuel inner b" region="2 -3" universe="1"/>
-    <cell id="3" material="1" name="fuel inner c" region="3 -1" universe="1"/>
-    <cell id="4" material="2" name="moderator inner a" region="1 -4" universe="1"/>
-    <cell id="5" material="2" name="moderator outer b" region="4 -5" universe="1"/>
-    <cell id="6" material="2" name="moderator outer c" region="5" universe="1"/>
-    <cell fill="1" id="7" name="azimuthal_cell_0" region="6 -7" universe="2"/>
-    <cell fill="1" id="8" name="azimuthal_cell_1" region="7 -8" universe="2"/>
-    <cell fill="1" id="9" name="azimuthal_cell_2" region="8 -9" universe="2"/>
-    <cell fill="1" id="10" name="azimuthal_cell_3" region="9 -10" universe="2"/>
-    <cell fill="1" id="11" name="azimuthal_cell_4" region="10 -11" universe="2"/>
-    <cell fill="1" id="12" name="azimuthal_cell_5" region="11 -12" universe="2"/>
-    <cell fill="1" id="13" name="azimuthal_cell_6" region="12 -13" universe="2"/>
-    <cell fill="1" id="14" name="azimuthal_cell_7" region="13 -6" universe="2"/>
-    <cell id="15" material="2" name="moderator infinite" universe="3"/>
-    <cell fill="4" id="16" universe="5"/>
-    <cell fill="6" id="17" name="assembly" region="14 -15 16 -17" universe="7"/>
+    <cell id="1" name="fuel inner a" material="1" region="-2" universe="1"/>
+    <cell id="2" name="fuel inner b" material="1" region="2 -3" universe="1"/>
+    <cell id="3" name="fuel inner c" material="1" region="3 -1" universe="1"/>
+    <cell id="4" name="moderator inner a" material="2" region="1 -4" universe="1"/>
+    <cell id="5" name="moderator outer b" material="2" region="4 -5" universe="1"/>
+    <cell id="6" name="moderator outer c" material="2" region="5" universe="1"/>
+    <cell id="7" name="azimuthal_cell_0" fill="1" region="6 -7" universe="2"/>
+    <cell id="8" name="azimuthal_cell_1" fill="1" region="7 -8" universe="2"/>
+    <cell id="9" name="azimuthal_cell_2" fill="1" region="8 -9" universe="2"/>
+    <cell id="10" name="azimuthal_cell_3" fill="1" region="9 -10" universe="2"/>
+    <cell id="11" name="azimuthal_cell_4" fill="1" region="10 -11" universe="2"/>
+    <cell id="12" name="azimuthal_cell_5" fill="1" region="11 -12" universe="2"/>
+    <cell id="13" name="azimuthal_cell_6" fill="1" region="12 -13" universe="2"/>
+    <cell id="14" name="azimuthal_cell_7" fill="1" region="13 -6" universe="2"/>
+    <cell id="15" name="moderator infinite" material="2" universe="3"/>
+    <cell id="16" fill="4" universe="5"/>
+    <cell id="17" name="assembly" fill="6" region="14 -15 16 -17" universe="7"/>
     <lattice id="4">
       <pitch>0.126 0.126</pitch>
       <dimension>10 10</dimension>
@@ -53,23 +53,23 @@
 2 2 
 2 5 </universes>
     </lattice>
-    <surface coeffs="0.0 0.0 0.54" id="1" name="Fuel OR" type="z-cylinder"/>
-    <surface coeffs="0.0 0.0 0.33" id="2" name="inner ring a" type="z-cylinder"/>
-    <surface coeffs="0.0 0.0 0.45" id="3" name="inner ring b" type="z-cylinder"/>
-    <surface coeffs="0.0 0.0 0.6" id="4" name="outer ring a" type="z-cylinder"/>
-    <surface coeffs="0.0 0.0 0.69" id="5" name="outer ring b" type="z-cylinder"/>
-    <surface coeffs="-0.0 1.0 0 0" id="6" type="plane"/>
-    <surface coeffs="-0.7071067811865475 0.7071067811865476 0 0" id="7" type="plane"/>
-    <surface coeffs="-1.0 6.123233995736766e-17 0 0" id="8" type="plane"/>
-    <surface coeffs="-0.7071067811865476 -0.7071067811865475 0 0" id="9" type="plane"/>
-    <surface coeffs="-1.2246467991473532e-16 -1.0 0 0" id="10" type="plane"/>
-    <surface coeffs="0.7071067811865475 -0.7071067811865477 0 0" id="11" type="plane"/>
-    <surface coeffs="1.0 -1.8369701987210297e-16 0 0" id="12" type="plane"/>
-    <surface coeffs="0.7071067811865477 0.7071067811865474 0 0" id="13" type="plane"/>
-    <surface boundary="reflective" coeffs="-1.26" id="14" name="minimum x" type="x-plane"/>
-    <surface boundary="reflective" coeffs="1.26" id="15" name="maximum x" type="x-plane"/>
-    <surface boundary="reflective" coeffs="-1.26" id="16" name="minimum y" type="y-plane"/>
-    <surface boundary="reflective" coeffs="1.26" id="17" name="maximum y" type="y-plane"/>
+    <surface id="1" name="Fuel OR" type="z-cylinder" coeffs="0.0 0.0 0.54"/>
+    <surface id="2" name="inner ring a" type="z-cylinder" coeffs="0.0 0.0 0.33"/>
+    <surface id="3" name="inner ring b" type="z-cylinder" coeffs="0.0 0.0 0.45"/>
+    <surface id="4" name="outer ring a" type="z-cylinder" coeffs="0.0 0.0 0.6"/>
+    <surface id="5" name="outer ring b" type="z-cylinder" coeffs="0.0 0.0 0.69"/>
+    <surface id="6" type="plane" coeffs="-0.0 1.0 0 0"/>
+    <surface id="7" type="plane" coeffs="-0.7071067811865475 0.7071067811865476 0 0"/>
+    <surface id="8" type="plane" coeffs="-1.0 6.123233995736766e-17 0 0"/>
+    <surface id="9" type="plane" coeffs="-0.7071067811865476 -0.7071067811865475 0 0"/>
+    <surface id="10" type="plane" coeffs="-1.2246467991473532e-16 -1.0 0 0"/>
+    <surface id="11" type="plane" coeffs="0.7071067811865475 -0.7071067811865477 0 0"/>
+    <surface id="12" type="plane" coeffs="1.0 -1.8369701987210297e-16 0 0"/>
+    <surface id="13" type="plane" coeffs="0.7071067811865477 0.7071067811865474 0 0"/>
+    <surface id="14" name="minimum x" type="x-plane" boundary="reflective" coeffs="-1.26"/>
+    <surface id="15" name="maximum x" type="x-plane" boundary="reflective" coeffs="1.26"/>
+    <surface id="16" name="minimum y" type="y-plane" boundary="reflective" coeffs="-1.26"/>
+    <surface id="17" name="maximum y" type="y-plane" boundary="reflective" coeffs="1.26"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
@@ -80,7 +80,7 @@
     <random_ray>
       <distance_active>100.0</distance_active>
       <distance_inactive>20.0</distance_inactive>
-      <source particle="neutron" strength="1.0" type="independent">
+      <source type="independent" strength="1.0" particle="neutron">
         <space type="box">
           <parameters>-1.26 -1.26 -1 1.26 1.26 1</parameters>
         </space>
diff --git a/tests/regression_tests/random_ray_linear/linear_xy/inputs_true.dat b/tests/regression_tests/random_ray_linear/linear_xy/inputs_true.dat
index 113771438..81527c479 100644
--- a/tests/regression_tests/random_ray_linear/linear_xy/inputs_true.dat
+++ b/tests/regression_tests/random_ray_linear/linear_xy/inputs_true.dat
@@ -3,32 +3,32 @@
   <materials>
     <cross_sections>mgxs.h5</cross_sections>
     <material id="1" name="UO2 fuel">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="UO2"/>
     </material>
     <material id="2" name="Water">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="LWTR"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="fuel inner a" region="-2" universe="1"/>
-    <cell id="2" material="1" name="fuel inner b" region="2 -3" universe="1"/>
-    <cell id="3" material="1" name="fuel inner c" region="3 -1" universe="1"/>
-    <cell id="4" material="2" name="moderator inner a" region="1 -4" universe="1"/>
-    <cell id="5" material="2" name="moderator outer b" region="4 -5" universe="1"/>
-    <cell id="6" material="2" name="moderator outer c" region="5" universe="1"/>
-    <cell fill="1" id="7" name="azimuthal_cell_0" region="6 -7" universe="2"/>
-    <cell fill="1" id="8" name="azimuthal_cell_1" region="7 -8" universe="2"/>
-    <cell fill="1" id="9" name="azimuthal_cell_2" region="8 -9" universe="2"/>
-    <cell fill="1" id="10" name="azimuthal_cell_3" region="9 -10" universe="2"/>
-    <cell fill="1" id="11" name="azimuthal_cell_4" region="10 -11" universe="2"/>
-    <cell fill="1" id="12" name="azimuthal_cell_5" region="11 -12" universe="2"/>
-    <cell fill="1" id="13" name="azimuthal_cell_6" region="12 -13" universe="2"/>
-    <cell fill="1" id="14" name="azimuthal_cell_7" region="13 -6" universe="2"/>
-    <cell id="15" material="2" name="moderator infinite" universe="3"/>
-    <cell fill="4" id="16" universe="5"/>
-    <cell fill="6" id="17" name="assembly" region="14 -15 16 -17" universe="7"/>
+    <cell id="1" name="fuel inner a" material="1" region="-2" universe="1"/>
+    <cell id="2" name="fuel inner b" material="1" region="2 -3" universe="1"/>
+    <cell id="3" name="fuel inner c" material="1" region="3 -1" universe="1"/>
+    <cell id="4" name="moderator inner a" material="2" region="1 -4" universe="1"/>
+    <cell id="5" name="moderator outer b" material="2" region="4 -5" universe="1"/>
+    <cell id="6" name="moderator outer c" material="2" region="5" universe="1"/>
+    <cell id="7" name="azimuthal_cell_0" fill="1" region="6 -7" universe="2"/>
+    <cell id="8" name="azimuthal_cell_1" fill="1" region="7 -8" universe="2"/>
+    <cell id="9" name="azimuthal_cell_2" fill="1" region="8 -9" universe="2"/>
+    <cell id="10" name="azimuthal_cell_3" fill="1" region="9 -10" universe="2"/>
+    <cell id="11" name="azimuthal_cell_4" fill="1" region="10 -11" universe="2"/>
+    <cell id="12" name="azimuthal_cell_5" fill="1" region="11 -12" universe="2"/>
+    <cell id="13" name="azimuthal_cell_6" fill="1" region="12 -13" universe="2"/>
+    <cell id="14" name="azimuthal_cell_7" fill="1" region="13 -6" universe="2"/>
+    <cell id="15" name="moderator infinite" material="2" universe="3"/>
+    <cell id="16" fill="4" universe="5"/>
+    <cell id="17" name="assembly" fill="6" region="14 -15 16 -17" universe="7"/>
     <lattice id="4">
       <pitch>0.126 0.126</pitch>
       <dimension>10 10</dimension>
@@ -53,23 +53,23 @@
 2 2 
 2 5 </universes>
     </lattice>
-    <surface coeffs="0.0 0.0 0.54" id="1" name="Fuel OR" type="z-cylinder"/>
-    <surface coeffs="0.0 0.0 0.33" id="2" name="inner ring a" type="z-cylinder"/>
-    <surface coeffs="0.0 0.0 0.45" id="3" name="inner ring b" type="z-cylinder"/>
-    <surface coeffs="0.0 0.0 0.6" id="4" name="outer ring a" type="z-cylinder"/>
-    <surface coeffs="0.0 0.0 0.69" id="5" name="outer ring b" type="z-cylinder"/>
-    <surface coeffs="-0.0 1.0 0 0" id="6" type="plane"/>
-    <surface coeffs="-0.7071067811865475 0.7071067811865476 0 0" id="7" type="plane"/>
-    <surface coeffs="-1.0 6.123233995736766e-17 0 0" id="8" type="plane"/>
-    <surface coeffs="-0.7071067811865476 -0.7071067811865475 0 0" id="9" type="plane"/>
-    <surface coeffs="-1.2246467991473532e-16 -1.0 0 0" id="10" type="plane"/>
-    <surface coeffs="0.7071067811865475 -0.7071067811865477 0 0" id="11" type="plane"/>
-    <surface coeffs="1.0 -1.8369701987210297e-16 0 0" id="12" type="plane"/>
-    <surface coeffs="0.7071067811865477 0.7071067811865474 0 0" id="13" type="plane"/>
-    <surface boundary="reflective" coeffs="-1.26" id="14" name="minimum x" type="x-plane"/>
-    <surface boundary="reflective" coeffs="1.26" id="15" name="maximum x" type="x-plane"/>
-    <surface boundary="reflective" coeffs="-1.26" id="16" name="minimum y" type="y-plane"/>
-    <surface boundary="reflective" coeffs="1.26" id="17" name="maximum y" type="y-plane"/>
+    <surface id="1" name="Fuel OR" type="z-cylinder" coeffs="0.0 0.0 0.54"/>
+    <surface id="2" name="inner ring a" type="z-cylinder" coeffs="0.0 0.0 0.33"/>
+    <surface id="3" name="inner ring b" type="z-cylinder" coeffs="0.0 0.0 0.45"/>
+    <surface id="4" name="outer ring a" type="z-cylinder" coeffs="0.0 0.0 0.6"/>
+    <surface id="5" name="outer ring b" type="z-cylinder" coeffs="0.0 0.0 0.69"/>
+    <surface id="6" type="plane" coeffs="-0.0 1.0 0 0"/>
+    <surface id="7" type="plane" coeffs="-0.7071067811865475 0.7071067811865476 0 0"/>
+    <surface id="8" type="plane" coeffs="-1.0 6.123233995736766e-17 0 0"/>
+    <surface id="9" type="plane" coeffs="-0.7071067811865476 -0.7071067811865475 0 0"/>
+    <surface id="10" type="plane" coeffs="-1.2246467991473532e-16 -1.0 0 0"/>
+    <surface id="11" type="plane" coeffs="0.7071067811865475 -0.7071067811865477 0 0"/>
+    <surface id="12" type="plane" coeffs="1.0 -1.8369701987210297e-16 0 0"/>
+    <surface id="13" type="plane" coeffs="0.7071067811865477 0.7071067811865474 0 0"/>
+    <surface id="14" name="minimum x" type="x-plane" boundary="reflective" coeffs="-1.26"/>
+    <surface id="15" name="maximum x" type="x-plane" boundary="reflective" coeffs="1.26"/>
+    <surface id="16" name="minimum y" type="y-plane" boundary="reflective" coeffs="-1.26"/>
+    <surface id="17" name="maximum y" type="y-plane" boundary="reflective" coeffs="1.26"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
@@ -80,7 +80,7 @@
     <random_ray>
       <distance_active>100.0</distance_active>
       <distance_inactive>20.0</distance_inactive>
-      <source particle="neutron" strength="1.0" type="independent">
+      <source type="independent" strength="1.0" particle="neutron">
         <space type="box">
           <parameters>-1.26 -1.26 -1 1.26 1.26 1</parameters>
         </space>
diff --git a/tests/regression_tests/random_ray_point_source_locator/inputs_true.dat b/tests/regression_tests/random_ray_point_source_locator/inputs_true.dat
index 9c7cd4ab5..82ad979da 100644
--- a/tests/regression_tests/random_ray_point_source_locator/inputs_true.dat
+++ b/tests/regression_tests/random_ray_point_source_locator/inputs_true.dat
@@ -3,24 +3,24 @@
   <materials>
     <cross_sections>mgxs.h5</cross_sections>
     <material id="1" name="source">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="source"/>
     </material>
     <material id="2" name="void">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="void"/>
     </material>
     <material id="3" name="absorber">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="absorber"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="infinite source region" universe="1"/>
-    <cell id="2" material="2" name="infinite void region" universe="2"/>
-    <cell id="3" material="3" name="infinite absorber region" universe="3"/>
-    <cell fill="4" id="4" universe="5"/>
-    <cell fill="5" id="5" name="full domain" region="1 -2 3 -4 5 -6" universe="6"/>
+    <cell id="1" name="infinite source region" material="1" universe="1"/>
+    <cell id="2" name="infinite void region" material="2" universe="2"/>
+    <cell id="3" name="infinite absorber region" material="3" universe="3"/>
+    <cell id="4" fill="4" universe="5"/>
+    <cell id="5" name="full domain" fill="5" region="1 -2 3 -4 5 -6" universe="6"/>
     <lattice id="4">
       <pitch>2.5 2.5 2.5</pitch>
       <dimension>12 12 12</dimension>
@@ -182,19 +182,19 @@
 3 3 3 3 3 3 3 3 3 3 3 3 
 3 3 3 3 3 3 3 3 3 3 3 3 </universes>
     </lattice>
-    <surface boundary="reflective" coeffs="0.0" id="1" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="30.0" id="2" type="x-plane"/>
-    <surface boundary="reflective" coeffs="0.0" id="3" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="30.0" id="4" type="y-plane"/>
-    <surface boundary="reflective" coeffs="0.0" id="5" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="30.0" id="6" type="z-plane"/>
+    <surface id="1" type="x-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="2" type="x-plane" boundary="vacuum" coeffs="30.0"/>
+    <surface id="3" type="y-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="4" type="y-plane" boundary="vacuum" coeffs="30.0"/>
+    <surface id="5" type="z-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="6" type="z-plane" boundary="vacuum" coeffs="30.0"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
     <particles>90</particles>
     <batches>30</batches>
     <inactive>15</inactive>
-    <source particle="neutron" strength="3.14" type="independent">
+    <source type="independent" strength="3.14" particle="neutron">
       <space type="point">
         <parameters>2.5 2.5 2.5</parameters>
       </space>
@@ -206,7 +206,7 @@
     <random_ray>
       <distance_active>500.0</distance_active>
       <distance_inactive>100.0</distance_inactive>
-      <source particle="neutron" strength="1.0" type="independent">
+      <source type="independent" strength="1.0" particle="neutron">
         <space type="box">
           <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
         </space>
diff --git a/tests/regression_tests/random_ray_void/flat/inputs_true.dat b/tests/regression_tests/random_ray_void/flat/inputs_true.dat
index 617a66053..ea8c22f0b 100644
--- a/tests/regression_tests/random_ray_void/flat/inputs_true.dat
+++ b/tests/regression_tests/random_ray_void/flat/inputs_true.dat
@@ -3,24 +3,24 @@
   <materials>
     <cross_sections>mgxs.h5</cross_sections>
     <material id="1" name="source">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="source"/>
     </material>
     <material id="2" name="void">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="void"/>
     </material>
     <material id="3" name="absorber">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="absorber"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="void" name="infinite source region" universe="1"/>
-    <cell id="2" material="void" name="infinite void region" universe="2"/>
-    <cell id="3" material="3" name="infinite absorber region" universe="3"/>
-    <cell fill="4" id="4" universe="5"/>
-    <cell fill="5" id="5" name="full domain" region="1 -2 3 -4 5 -6" universe="6"/>
+    <cell id="1" name="infinite source region" material="void" universe="1"/>
+    <cell id="2" name="infinite void region" material="void" universe="2"/>
+    <cell id="3" name="infinite absorber region" material="3" universe="3"/>
+    <cell id="4" fill="4" universe="5"/>
+    <cell id="5" name="full domain" fill="5" region="1 -2 3 -4 5 -6" universe="6"/>
     <lattice id="4">
       <pitch>2.5 2.5 2.5</pitch>
       <dimension>12 12 12</dimension>
@@ -182,19 +182,19 @@
 3 3 3 3 3 3 3 3 3 3 3 3 
 3 3 3 3 3 3 3 3 3 3 3 3 </universes>
     </lattice>
-    <surface boundary="reflective" coeffs="0.0" id="1" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="30.0" id="2" type="x-plane"/>
-    <surface boundary="reflective" coeffs="0.0" id="3" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="30.0" id="4" type="y-plane"/>
-    <surface boundary="reflective" coeffs="0.0" id="5" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="30.0" id="6" type="z-plane"/>
+    <surface id="1" type="x-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="2" type="x-plane" boundary="vacuum" coeffs="30.0"/>
+    <surface id="3" type="y-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="4" type="y-plane" boundary="vacuum" coeffs="30.0"/>
+    <surface id="5" type="z-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="6" type="z-plane" boundary="vacuum" coeffs="30.0"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
     <particles>90</particles>
     <batches>40</batches>
     <inactive>20</inactive>
-    <source particle="neutron" strength="3.14" type="independent">
+    <source type="independent" strength="3.14" particle="neutron">
       <energy type="discrete">
         <parameters>100.0 1.0</parameters>
       </energy>
@@ -207,7 +207,7 @@
     <random_ray>
       <distance_active>500.0</distance_active>
       <distance_inactive>100.0</distance_inactive>
-      <source particle="neutron" strength="1.0" type="independent">
+      <source type="independent" strength="1.0" particle="neutron">
         <space type="box">
           <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
         </space>
diff --git a/tests/regression_tests/random_ray_void/linear/inputs_true.dat b/tests/regression_tests/random_ray_void/linear/inputs_true.dat
index 4b6a682d9..a089604ef 100644
--- a/tests/regression_tests/random_ray_void/linear/inputs_true.dat
+++ b/tests/regression_tests/random_ray_void/linear/inputs_true.dat
@@ -3,24 +3,24 @@
   <materials>
     <cross_sections>mgxs.h5</cross_sections>
     <material id="1" name="source">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="source"/>
     </material>
     <material id="2" name="void">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="void"/>
     </material>
     <material id="3" name="absorber">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="absorber"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="void" name="infinite source region" universe="1"/>
-    <cell id="2" material="void" name="infinite void region" universe="2"/>
-    <cell id="3" material="3" name="infinite absorber region" universe="3"/>
-    <cell fill="4" id="4" universe="5"/>
-    <cell fill="5" id="5" name="full domain" region="1 -2 3 -4 5 -6" universe="6"/>
+    <cell id="1" name="infinite source region" material="void" universe="1"/>
+    <cell id="2" name="infinite void region" material="void" universe="2"/>
+    <cell id="3" name="infinite absorber region" material="3" universe="3"/>
+    <cell id="4" fill="4" universe="5"/>
+    <cell id="5" name="full domain" fill="5" region="1 -2 3 -4 5 -6" universe="6"/>
     <lattice id="4">
       <pitch>2.5 2.5 2.5</pitch>
       <dimension>12 12 12</dimension>
@@ -182,19 +182,19 @@
 3 3 3 3 3 3 3 3 3 3 3 3 
 3 3 3 3 3 3 3 3 3 3 3 3 </universes>
     </lattice>
-    <surface boundary="reflective" coeffs="0.0" id="1" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="30.0" id="2" type="x-plane"/>
-    <surface boundary="reflective" coeffs="0.0" id="3" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="30.0" id="4" type="y-plane"/>
-    <surface boundary="reflective" coeffs="0.0" id="5" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="30.0" id="6" type="z-plane"/>
+    <surface id="1" type="x-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="2" type="x-plane" boundary="vacuum" coeffs="30.0"/>
+    <surface id="3" type="y-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="4" type="y-plane" boundary="vacuum" coeffs="30.0"/>
+    <surface id="5" type="z-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="6" type="z-plane" boundary="vacuum" coeffs="30.0"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
     <particles>90</particles>
     <batches>40</batches>
     <inactive>20</inactive>
-    <source particle="neutron" strength="3.14" type="independent">
+    <source type="independent" strength="3.14" particle="neutron">
       <energy type="discrete">
         <parameters>100.0 1.0</parameters>
       </energy>
@@ -207,7 +207,7 @@
     <random_ray>
       <distance_active>500.0</distance_active>
       <distance_inactive>100.0</distance_inactive>
-      <source particle="neutron" strength="1.0" type="independent">
+      <source type="independent" strength="1.0" particle="neutron">
         <space type="box">
           <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
         </space>
diff --git a/tests/regression_tests/random_ray_volume_estimator/hybrid/inputs_true.dat b/tests/regression_tests/random_ray_volume_estimator/hybrid/inputs_true.dat
index 9c15ec97d..089534d74 100644
--- a/tests/regression_tests/random_ray_volume_estimator/hybrid/inputs_true.dat
+++ b/tests/regression_tests/random_ray_volume_estimator/hybrid/inputs_true.dat
@@ -3,24 +3,24 @@
   <materials>
     <cross_sections>mgxs.h5</cross_sections>
     <material id="1" name="source">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="source"/>
     </material>
     <material id="2" name="void">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="void"/>
     </material>
     <material id="3" name="absorber">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="absorber"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="infinite source region" universe="1"/>
-    <cell id="2" material="2" name="infinite void region" universe="2"/>
-    <cell id="3" material="3" name="infinite absorber region" universe="3"/>
-    <cell fill="4" id="4" universe="5"/>
-    <cell fill="5" id="5" name="full domain" region="1 -2 3 -4 5 -6" universe="6"/>
+    <cell id="1" name="infinite source region" material="1" universe="1"/>
+    <cell id="2" name="infinite void region" material="2" universe="2"/>
+    <cell id="3" name="infinite absorber region" material="3" universe="3"/>
+    <cell id="4" fill="4" universe="5"/>
+    <cell id="5" name="full domain" fill="5" region="1 -2 3 -4 5 -6" universe="6"/>
     <lattice id="4">
       <pitch>2.5 2.5 2.5</pitch>
       <dimension>12 12 12</dimension>
@@ -182,19 +182,19 @@
 3 3 3 3 3 3 3 3 3 3 3 3 
 3 3 3 3 3 3 3 3 3 3 3 3 </universes>
     </lattice>
-    <surface boundary="reflective" coeffs="0.0" id="1" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="30.0" id="2" type="x-plane"/>
-    <surface boundary="reflective" coeffs="0.0" id="3" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="30.0" id="4" type="y-plane"/>
-    <surface boundary="reflective" coeffs="0.0" id="5" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="30.0" id="6" type="z-plane"/>
+    <surface id="1" type="x-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="2" type="x-plane" boundary="vacuum" coeffs="30.0"/>
+    <surface id="3" type="y-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="4" type="y-plane" boundary="vacuum" coeffs="30.0"/>
+    <surface id="5" type="z-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="6" type="z-plane" boundary="vacuum" coeffs="30.0"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
     <particles>90</particles>
     <batches>10</batches>
     <inactive>5</inactive>
-    <source particle="neutron" strength="3.14" type="independent">
+    <source type="independent" strength="3.14" particle="neutron">
       <energy type="discrete">
         <parameters>100.0 1.0</parameters>
       </energy>
@@ -207,7 +207,7 @@
     <random_ray>
       <distance_active>500.0</distance_active>
       <distance_inactive>100.0</distance_inactive>
-      <source particle="neutron" strength="1.0" type="independent">
+      <source type="independent" strength="1.0" particle="neutron">
         <space type="box">
           <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
         </space>
diff --git a/tests/regression_tests/random_ray_volume_estimator/naive/inputs_true.dat b/tests/regression_tests/random_ray_volume_estimator/naive/inputs_true.dat
index 7d05f0978..56507df04 100644
--- a/tests/regression_tests/random_ray_volume_estimator/naive/inputs_true.dat
+++ b/tests/regression_tests/random_ray_volume_estimator/naive/inputs_true.dat
@@ -3,24 +3,24 @@
   <materials>
     <cross_sections>mgxs.h5</cross_sections>
     <material id="1" name="source">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="source"/>
     </material>
     <material id="2" name="void">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="void"/>
     </material>
     <material id="3" name="absorber">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="absorber"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="infinite source region" universe="1"/>
-    <cell id="2" material="2" name="infinite void region" universe="2"/>
-    <cell id="3" material="3" name="infinite absorber region" universe="3"/>
-    <cell fill="4" id="4" universe="5"/>
-    <cell fill="5" id="5" name="full domain" region="1 -2 3 -4 5 -6" universe="6"/>
+    <cell id="1" name="infinite source region" material="1" universe="1"/>
+    <cell id="2" name="infinite void region" material="2" universe="2"/>
+    <cell id="3" name="infinite absorber region" material="3" universe="3"/>
+    <cell id="4" fill="4" universe="5"/>
+    <cell id="5" name="full domain" fill="5" region="1 -2 3 -4 5 -6" universe="6"/>
     <lattice id="4">
       <pitch>2.5 2.5 2.5</pitch>
       <dimension>12 12 12</dimension>
@@ -182,19 +182,19 @@
 3 3 3 3 3 3 3 3 3 3 3 3 
 3 3 3 3 3 3 3 3 3 3 3 3 </universes>
     </lattice>
-    <surface boundary="reflective" coeffs="0.0" id="1" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="30.0" id="2" type="x-plane"/>
-    <surface boundary="reflective" coeffs="0.0" id="3" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="30.0" id="4" type="y-plane"/>
-    <surface boundary="reflective" coeffs="0.0" id="5" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="30.0" id="6" type="z-plane"/>
+    <surface id="1" type="x-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="2" type="x-plane" boundary="vacuum" coeffs="30.0"/>
+    <surface id="3" type="y-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="4" type="y-plane" boundary="vacuum" coeffs="30.0"/>
+    <surface id="5" type="z-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="6" type="z-plane" boundary="vacuum" coeffs="30.0"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
     <particles>90</particles>
     <batches>10</batches>
     <inactive>5</inactive>
-    <source particle="neutron" strength="3.14" type="independent">
+    <source type="independent" strength="3.14" particle="neutron">
       <energy type="discrete">
         <parameters>100.0 1.0</parameters>
       </energy>
@@ -207,7 +207,7 @@
     <random_ray>
       <distance_active>500.0</distance_active>
       <distance_inactive>100.0</distance_inactive>
-      <source particle="neutron" strength="1.0" type="independent">
+      <source type="independent" strength="1.0" particle="neutron">
         <space type="box">
           <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
         </space>
diff --git a/tests/regression_tests/random_ray_volume_estimator/simulation_averaged/inputs_true.dat b/tests/regression_tests/random_ray_volume_estimator/simulation_averaged/inputs_true.dat
index 301671e6d..0331b562c 100644
--- a/tests/regression_tests/random_ray_volume_estimator/simulation_averaged/inputs_true.dat
+++ b/tests/regression_tests/random_ray_volume_estimator/simulation_averaged/inputs_true.dat
@@ -3,24 +3,24 @@
   <materials>
     <cross_sections>mgxs.h5</cross_sections>
     <material id="1" name="source">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="source"/>
     </material>
     <material id="2" name="void">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="void"/>
     </material>
     <material id="3" name="absorber">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="absorber"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="infinite source region" universe="1"/>
-    <cell id="2" material="2" name="infinite void region" universe="2"/>
-    <cell id="3" material="3" name="infinite absorber region" universe="3"/>
-    <cell fill="4" id="4" universe="5"/>
-    <cell fill="5" id="5" name="full domain" region="1 -2 3 -4 5 -6" universe="6"/>
+    <cell id="1" name="infinite source region" material="1" universe="1"/>
+    <cell id="2" name="infinite void region" material="2" universe="2"/>
+    <cell id="3" name="infinite absorber region" material="3" universe="3"/>
+    <cell id="4" fill="4" universe="5"/>
+    <cell id="5" name="full domain" fill="5" region="1 -2 3 -4 5 -6" universe="6"/>
     <lattice id="4">
       <pitch>2.5 2.5 2.5</pitch>
       <dimension>12 12 12</dimension>
@@ -182,19 +182,19 @@
 3 3 3 3 3 3 3 3 3 3 3 3 
 3 3 3 3 3 3 3 3 3 3 3 3 </universes>
     </lattice>
-    <surface boundary="reflective" coeffs="0.0" id="1" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="30.0" id="2" type="x-plane"/>
-    <surface boundary="reflective" coeffs="0.0" id="3" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="30.0" id="4" type="y-plane"/>
-    <surface boundary="reflective" coeffs="0.0" id="5" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="30.0" id="6" type="z-plane"/>
+    <surface id="1" type="x-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="2" type="x-plane" boundary="vacuum" coeffs="30.0"/>
+    <surface id="3" type="y-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="4" type="y-plane" boundary="vacuum" coeffs="30.0"/>
+    <surface id="5" type="z-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="6" type="z-plane" boundary="vacuum" coeffs="30.0"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
     <particles>90</particles>
     <batches>10</batches>
     <inactive>5</inactive>
-    <source particle="neutron" strength="3.14" type="independent">
+    <source type="independent" strength="3.14" particle="neutron">
       <energy type="discrete">
         <parameters>100.0 1.0</parameters>
       </energy>
@@ -207,7 +207,7 @@
     <random_ray>
       <distance_active>500.0</distance_active>
       <distance_inactive>100.0</distance_inactive>
-      <source particle="neutron" strength="1.0" type="independent">
+      <source type="independent" strength="1.0" particle="neutron">
         <space type="box">
           <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
         </space>
diff --git a/tests/regression_tests/random_ray_volume_estimator_linear/hybrid/inputs_true.dat b/tests/regression_tests/random_ray_volume_estimator_linear/hybrid/inputs_true.dat
index 6440cca04..343833210 100644
--- a/tests/regression_tests/random_ray_volume_estimator_linear/hybrid/inputs_true.dat
+++ b/tests/regression_tests/random_ray_volume_estimator_linear/hybrid/inputs_true.dat
@@ -3,24 +3,24 @@
   <materials>
     <cross_sections>mgxs.h5</cross_sections>
     <material id="1" name="source">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="source"/>
     </material>
     <material id="2" name="void">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="void"/>
     </material>
     <material id="3" name="absorber">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="absorber"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="infinite source region" universe="1"/>
-    <cell id="2" material="2" name="infinite void region" universe="2"/>
-    <cell id="3" material="3" name="infinite absorber region" universe="3"/>
-    <cell fill="4" id="4" universe="5"/>
-    <cell fill="5" id="5" name="full domain" region="1 -2 3 -4 5 -6" universe="6"/>
+    <cell id="1" name="infinite source region" material="1" universe="1"/>
+    <cell id="2" name="infinite void region" material="2" universe="2"/>
+    <cell id="3" name="infinite absorber region" material="3" universe="3"/>
+    <cell id="4" fill="4" universe="5"/>
+    <cell id="5" name="full domain" fill="5" region="1 -2 3 -4 5 -6" universe="6"/>
     <lattice id="4">
       <pitch>2.5 2.5 2.5</pitch>
       <dimension>12 12 12</dimension>
@@ -182,19 +182,19 @@
 3 3 3 3 3 3 3 3 3 3 3 3 
 3 3 3 3 3 3 3 3 3 3 3 3 </universes>
     </lattice>
-    <surface boundary="reflective" coeffs="0.0" id="1" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="30.0" id="2" type="x-plane"/>
-    <surface boundary="reflective" coeffs="0.0" id="3" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="30.0" id="4" type="y-plane"/>
-    <surface boundary="reflective" coeffs="0.0" id="5" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="30.0" id="6" type="z-plane"/>
+    <surface id="1" type="x-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="2" type="x-plane" boundary="vacuum" coeffs="30.0"/>
+    <surface id="3" type="y-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="4" type="y-plane" boundary="vacuum" coeffs="30.0"/>
+    <surface id="5" type="z-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="6" type="z-plane" boundary="vacuum" coeffs="30.0"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
     <particles>90</particles>
     <batches>40</batches>
     <inactive>20</inactive>
-    <source particle="neutron" strength="3.14" type="independent">
+    <source type="independent" strength="3.14" particle="neutron">
       <energy type="discrete">
         <parameters>100.0 1.0</parameters>
       </energy>
@@ -207,7 +207,7 @@
     <random_ray>
       <distance_active>500.0</distance_active>
       <distance_inactive>100.0</distance_inactive>
-      <source particle="neutron" strength="1.0" type="independent">
+      <source type="independent" strength="1.0" particle="neutron">
         <space type="box">
           <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
         </space>
diff --git a/tests/regression_tests/random_ray_volume_estimator_linear/naive/inputs_true.dat b/tests/regression_tests/random_ray_volume_estimator_linear/naive/inputs_true.dat
index fcf93b046..50be43eb3 100644
--- a/tests/regression_tests/random_ray_volume_estimator_linear/naive/inputs_true.dat
+++ b/tests/regression_tests/random_ray_volume_estimator_linear/naive/inputs_true.dat
@@ -3,24 +3,24 @@
   <materials>
     <cross_sections>mgxs.h5</cross_sections>
     <material id="1" name="source">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="source"/>
     </material>
     <material id="2" name="void">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="void"/>
     </material>
     <material id="3" name="absorber">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="absorber"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="infinite source region" universe="1"/>
-    <cell id="2" material="2" name="infinite void region" universe="2"/>
-    <cell id="3" material="3" name="infinite absorber region" universe="3"/>
-    <cell fill="4" id="4" universe="5"/>
-    <cell fill="5" id="5" name="full domain" region="1 -2 3 -4 5 -6" universe="6"/>
+    <cell id="1" name="infinite source region" material="1" universe="1"/>
+    <cell id="2" name="infinite void region" material="2" universe="2"/>
+    <cell id="3" name="infinite absorber region" material="3" universe="3"/>
+    <cell id="4" fill="4" universe="5"/>
+    <cell id="5" name="full domain" fill="5" region="1 -2 3 -4 5 -6" universe="6"/>
     <lattice id="4">
       <pitch>2.5 2.5 2.5</pitch>
       <dimension>12 12 12</dimension>
@@ -182,19 +182,19 @@
 3 3 3 3 3 3 3 3 3 3 3 3 
 3 3 3 3 3 3 3 3 3 3 3 3 </universes>
     </lattice>
-    <surface boundary="reflective" coeffs="0.0" id="1" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="30.0" id="2" type="x-plane"/>
-    <surface boundary="reflective" coeffs="0.0" id="3" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="30.0" id="4" type="y-plane"/>
-    <surface boundary="reflective" coeffs="0.0" id="5" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="30.0" id="6" type="z-plane"/>
+    <surface id="1" type="x-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="2" type="x-plane" boundary="vacuum" coeffs="30.0"/>
+    <surface id="3" type="y-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="4" type="y-plane" boundary="vacuum" coeffs="30.0"/>
+    <surface id="5" type="z-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="6" type="z-plane" boundary="vacuum" coeffs="30.0"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
     <particles>90</particles>
     <batches>40</batches>
     <inactive>20</inactive>
-    <source particle="neutron" strength="3.14" type="independent">
+    <source type="independent" strength="3.14" particle="neutron">
       <energy type="discrete">
         <parameters>100.0 1.0</parameters>
       </energy>
@@ -207,7 +207,7 @@
     <random_ray>
       <distance_active>500.0</distance_active>
       <distance_inactive>100.0</distance_inactive>
-      <source particle="neutron" strength="1.0" type="independent">
+      <source type="independent" strength="1.0" particle="neutron">
         <space type="box">
           <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
         </space>
diff --git a/tests/regression_tests/random_ray_volume_estimator_linear/simulation_averaged/inputs_true.dat b/tests/regression_tests/random_ray_volume_estimator_linear/simulation_averaged/inputs_true.dat
index 1df3204a3..3d64ab978 100644
--- a/tests/regression_tests/random_ray_volume_estimator_linear/simulation_averaged/inputs_true.dat
+++ b/tests/regression_tests/random_ray_volume_estimator_linear/simulation_averaged/inputs_true.dat
@@ -3,24 +3,24 @@
   <materials>
     <cross_sections>mgxs.h5</cross_sections>
     <material id="1" name="source">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="source"/>
     </material>
     <material id="2" name="void">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="void"/>
     </material>
     <material id="3" name="absorber">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="absorber"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="infinite source region" universe="1"/>
-    <cell id="2" material="2" name="infinite void region" universe="2"/>
-    <cell id="3" material="3" name="infinite absorber region" universe="3"/>
-    <cell fill="4" id="4" universe="5"/>
-    <cell fill="5" id="5" name="full domain" region="1 -2 3 -4 5 -6" universe="6"/>
+    <cell id="1" name="infinite source region" material="1" universe="1"/>
+    <cell id="2" name="infinite void region" material="2" universe="2"/>
+    <cell id="3" name="infinite absorber region" material="3" universe="3"/>
+    <cell id="4" fill="4" universe="5"/>
+    <cell id="5" name="full domain" fill="5" region="1 -2 3 -4 5 -6" universe="6"/>
     <lattice id="4">
       <pitch>2.5 2.5 2.5</pitch>
       <dimension>12 12 12</dimension>
@@ -182,19 +182,19 @@
 3 3 3 3 3 3 3 3 3 3 3 3 
 3 3 3 3 3 3 3 3 3 3 3 3 </universes>
     </lattice>
-    <surface boundary="reflective" coeffs="0.0" id="1" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="30.0" id="2" type="x-plane"/>
-    <surface boundary="reflective" coeffs="0.0" id="3" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="30.0" id="4" type="y-plane"/>
-    <surface boundary="reflective" coeffs="0.0" id="5" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="30.0" id="6" type="z-plane"/>
+    <surface id="1" type="x-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="2" type="x-plane" boundary="vacuum" coeffs="30.0"/>
+    <surface id="3" type="y-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="4" type="y-plane" boundary="vacuum" coeffs="30.0"/>
+    <surface id="5" type="z-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="6" type="z-plane" boundary="vacuum" coeffs="30.0"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
     <particles>90</particles>
     <batches>40</batches>
     <inactive>20</inactive>
-    <source particle="neutron" strength="3.14" type="independent">
+    <source type="independent" strength="3.14" particle="neutron">
       <energy type="discrete">
         <parameters>100.0 1.0</parameters>
       </energy>
@@ -207,7 +207,7 @@
     <random_ray>
       <distance_active>500.0</distance_active>
       <distance_inactive>100.0</distance_inactive>
-      <source particle="neutron" strength="1.0" type="independent">
+      <source type="independent" strength="1.0" particle="neutron">
         <space type="box">
           <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
         </space>
diff --git a/tests/regression_tests/resonance_scattering/inputs_true.dat b/tests/regression_tests/resonance_scattering/inputs_true.dat
index dba4535c2..ebe6a5dbe 100644
--- a/tests/regression_tests/resonance_scattering/inputs_true.dat
+++ b/tests/regression_tests/resonance_scattering/inputs_true.dat
@@ -1,24 +1,24 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1">
-      <density units="g/cc" value="1.0"/>
-      <nuclide ao="1.0" name="U238"/>
-      <nuclide ao="0.02" name="U235"/>
-      <nuclide ao="0.02" name="Pu239"/>
-      <nuclide ao="20.0" name="H1"/>
+    <material id="1" depletable="true">
+      <density value="1.0" units="g/cc"/>
+      <nuclide name="U238" ao="1.0"/>
+      <nuclide name="U235" ao="0.02"/>
+      <nuclide name="Pu239" ao="0.02"/>
+      <nuclide name="H1" ao="20.0"/>
     </material>
   </materials>
   <geometry>
     <cell id="1" material="1" region="-1" universe="0"/>
-    <surface boundary="reflective" coeffs="100" id="1" type="x-plane"/>
+    <surface id="1" type="x-plane" boundary="reflective" coeffs="100"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
     <particles>1000</particles>
     <batches>10</batches>
     <inactive>5</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>-4 -4 -4 4 4 4</parameters>
       </space>
diff --git a/tests/regression_tests/salphabeta/inputs_true.dat b/tests/regression_tests/salphabeta/inputs_true.dat
index ef0e843c2..56f4be375 100644
--- a/tests/regression_tests/salphabeta/inputs_true.dat
+++ b/tests/regression_tests/salphabeta/inputs_true.dat
@@ -1,36 +1,36 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1">
-      <density units="g/cc" value="4.5"/>
-      <nuclide ao="1.0" name="U235"/>
-      <nuclide ao="1.0" name="H1"/>
-      <sab fraction="0.5" name="c_H_in_H2O"/>
+    <material id="1" depletable="true">
+      <density value="4.5" units="g/cc"/>
+      <nuclide name="U235" ao="1.0"/>
+      <nuclide name="H1" ao="1.0"/>
+      <sab name="c_H_in_H2O" fraction="0.5"/>
     </material>
-    <material depletable="true" id="2">
-      <density units="g/cc" value="4.5"/>
-      <nuclide ao="1.0" name="U235"/>
-      <nuclide ao="1.0" name="C0"/>
+    <material id="2" depletable="true">
+      <density value="4.5" units="g/cc"/>
+      <nuclide name="U235" ao="1.0"/>
+      <nuclide name="C0" ao="1.0"/>
       <sab name="c_Graphite"/>
     </material>
-    <material depletable="true" id="3">
-      <density units="g/cc" value="4.5"/>
-      <nuclide ao="1.0" name="U235"/>
-      <nuclide ao="1.0" name="Be9"/>
-      <nuclide ao="1.0" name="O16"/>
+    <material id="3" depletable="true">
+      <density value="4.5" units="g/cc"/>
+      <nuclide name="U235" ao="1.0"/>
+      <nuclide name="Be9" ao="1.0"/>
+      <nuclide name="O16" ao="1.0"/>
       <sab name="c_Be_in_BeO"/>
       <sab name="c_O_in_BeO"/>
     </material>
-    <material depletable="true" id="4">
-      <density units="g/cm3" value="5.90168"/>
-      <nuclide ao="0.3" name="H1"/>
-      <nuclide ao="0.15" name="Zr90"/>
-      <nuclide ao="0.1" name="Zr91"/>
-      <nuclide ao="0.1" name="Zr92"/>
-      <nuclide ao="0.05" name="Zr94"/>
-      <nuclide ao="0.05" name="Zr96"/>
-      <nuclide ao="0.1" name="U235"/>
-      <nuclide ao="0.15" name="U238"/>
+    <material id="4" depletable="true">
+      <density value="5.90168" units="g/cm3"/>
+      <nuclide name="H1" ao="0.3"/>
+      <nuclide name="Zr90" ao="0.15"/>
+      <nuclide name="Zr91" ao="0.1"/>
+      <nuclide name="Zr92" ao="0.1"/>
+      <nuclide name="Zr94" ao="0.05"/>
+      <nuclide name="Zr96" ao="0.05"/>
+      <nuclide name="U235" ao="0.1"/>
+      <nuclide name="U238" ao="0.15"/>
       <sab name="c_Zr_in_ZrH"/>
       <sab name="c_H_in_ZrH"/>
     </material>
@@ -40,18 +40,18 @@
     <cell id="2" material="2" region="2 -3" universe="1"/>
     <cell id="3" material="3" region="3 -4" universe="1"/>
     <cell id="4" material="4" region="4 -5" universe="1"/>
-    <surface boundary="vacuum" coeffs="-10" id="1" type="x-plane"/>
-    <surface coeffs="-5" id="2" type="x-plane"/>
-    <surface coeffs="0" id="3" type="x-plane"/>
-    <surface coeffs="5" id="4" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="10" id="5" type="x-plane"/>
+    <surface id="1" type="x-plane" boundary="vacuum" coeffs="-10"/>
+    <surface id="2" type="x-plane" coeffs="-5"/>
+    <surface id="3" type="x-plane" coeffs="0"/>
+    <surface id="4" type="x-plane" coeffs="5"/>
+    <surface id="5" type="x-plane" boundary="vacuum" coeffs="10"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
     <particles>400</particles>
     <batches>5</batches>
     <inactive>0</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>-4 -4 -4 4 4 4</parameters>
       </space>
diff --git a/tests/regression_tests/score_current/inputs_true.dat b/tests/regression_tests/score_current/inputs_true.dat
index ddbd6c24b..42c2d3df2 100644
--- a/tests/regression_tests/score_current/inputs_true.dat
+++ b/tests/regression_tests/score_current/inputs_true.dat
@@ -1,28 +1,28 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1">
-      <density units="g/cm3" value="10.0"/>
-      <nuclide ao="1.0" name="U235"/>
+    <material id="1" depletable="true">
+      <density value="10.0" units="g/cm3"/>
+      <nuclide name="U235" ao="1.0"/>
     </material>
     <material id="2">
-      <density units="g/cm3" value="1.0"/>
-      <nuclide ao="1.0" name="Zr90"/>
+      <density value="1.0" units="g/cm3"/>
+      <nuclide name="Zr90" ao="1.0"/>
     </material>
   </materials>
   <geometry>
     <cell id="1" material="1" region="1 -2 3 -4 10 -9" universe="1"/>
     <cell id="2" material="2" region="(-1 | 2 | -3 | 4) (5 -6 7 -8) 10 -9" universe="1"/>
-    <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane"/>
-    <surface coeffs="5.0" id="2" name="maximum x" type="x-plane"/>
-    <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane"/>
-    <surface coeffs="5.0" id="4" name="maximum y" type="y-plane"/>
-    <surface boundary="reflective" coeffs="-10.0" id="5" name="minimum x" type="x-plane"/>
-    <surface boundary="reflective" coeffs="10.0" id="6" name="maximum x" type="x-plane"/>
-    <surface boundary="reflective" coeffs="-10.0" id="7" name="minimum y" type="y-plane"/>
-    <surface boundary="reflective" coeffs="10.0" id="8" name="maximum y" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="10.0" id="9" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="-10.0" id="10" type="z-plane"/>
+    <surface id="1" name="minimum x" type="x-plane" coeffs="-5.0"/>
+    <surface id="2" name="maximum x" type="x-plane" coeffs="5.0"/>
+    <surface id="3" name="minimum y" type="y-plane" coeffs="-5.0"/>
+    <surface id="4" name="maximum y" type="y-plane" coeffs="5.0"/>
+    <surface id="5" name="minimum x" type="x-plane" boundary="reflective" coeffs="-10.0"/>
+    <surface id="6" name="maximum x" type="x-plane" boundary="reflective" coeffs="10.0"/>
+    <surface id="7" name="minimum y" type="y-plane" boundary="reflective" coeffs="-10.0"/>
+    <surface id="8" name="maximum y" type="y-plane" boundary="reflective" coeffs="10.0"/>
+    <surface id="9" type="z-plane" boundary="vacuum" coeffs="10.0"/>
+    <surface id="10" type="z-plane" boundary="vacuum" coeffs="-10.0"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
diff --git a/tests/regression_tests/source/inputs_true.dat b/tests/regression_tests/source/inputs_true.dat
index e787f24d4..9f10b79d6 100644
--- a/tests/regression_tests/source/inputs_true.dat
+++ b/tests/regression_tests/source/inputs_true.dat
@@ -1,150 +1,150 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1" temperature="294">
-      <density units="g/cm3" value="4.5"/>
-      <nuclide ao="1.0" name="U235"/>
+    <material id="1" depletable="true" temperature="294">
+      <density value="4.5" units="g/cm3"/>
+      <nuclide name="U235" ao="1.0"/>
     </material>
   </materials>
   <geometry>
     <cell id="1" material="1" region="-1" universe="0"/>
-    <surface boundary="vacuum" coeffs="0.0 0.0 0.0 10.0" id="1" type="sphere"/>
+    <surface id="1" type="sphere" boundary="vacuum" coeffs="0.0 0.0 0.0 10.0"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
     <particles>1000</particles>
     <batches>10</batches>
     <inactive>5</inactive>
-    <source particle="neutron" strength="0.3" type="independent">
+    <source type="independent" strength="0.3" particle="neutron">
       <space type="cartesian">
-        <x parameters="-3.0 3.0" type="uniform"/>
+        <x type="uniform" parameters="-3.0 3.0"/>
         <y type="discrete">
           <parameters>-4.0 -1.0 3.0 0.2 0.3 0.5</parameters>
         </y>
-        <z interpolation="linear-linear" type="tabular">
+        <z type="tabular" interpolation="linear-linear">
           <parameters>-2.0 0.0 2.0 0.2 0.3 0.2</parameters>
         </z>
       </space>
-      <angle reference_uvw="0.0 0.0 1.0" type="mu-phi">
+      <angle type="mu-phi" reference_uvw="0.0 0.0 1.0">
         <mu type="discrete">
           <parameters>-1.0 0.0 1.0 0.5 0.25 0.25</parameters>
         </mu>
-        <phi parameters="0.0 6.28318530718" type="uniform"/>
+        <phi type="uniform" parameters="0.0 6.28318530718"/>
       </angle>
-      <energy parameters="1289500.0" type="maxwell"/>
+      <energy type="maxwell" parameters="1289500.0"/>
     </source>
-    <source particle="neutron" strength="0.1" type="independent">
+    <source type="independent" strength="0.1" particle="neutron">
       <space type="box">
         <parameters>-4.0 -4.0 -4.0 4.0 4.0 4.0</parameters>
       </space>
-      <angle reference_uvw="0.0 1.0 0.0" type="monodirectional"/>
-      <energy parameters="988000.0 2.249e-06" type="watt"/>
+      <angle type="monodirectional" reference_uvw="0.0 1.0 0.0"/>
+      <energy type="watt" parameters="988000.0 2.249e-06"/>
     </source>
-    <source particle="neutron" strength="0.1" type="independent">
+    <source type="independent" strength="0.1" particle="neutron">
       <space type="point">
         <parameters>1.2 -2.3 0.781</parameters>
       </space>
       <angle type="isotropic"/>
-      <energy interpolation="histogram" type="tabular">
+      <energy type="tabular" interpolation="histogram">
         <parameters>1.0 1.3894954943731377 1.93069772888325 2.6826957952797255 3.72759372031494 5.17947467923121 7.196856730011519 10.0 13.894954943731374 19.306977288832496 26.826957952797247 37.2759372031494 51.7947467923121 71.96856730011518 100.0 138.94954943731375 193.06977288832496 268.26957952797244 372.7593720314938 517.9474679231207 719.6856730011514 1000.0 1389.4954943731375 1930.6977288832495 2682.6957952797247 3727.593720314938 5179.474679231207 7196.856730011514 10000.0 13894.95494373136 19306.977288832495 26826.95795279722 37275.93720314938 51794.74679231213 71968.56730011514 100000.0 138949.5494373136 193069.77288832495 268269.5795279722 372759.3720314938 517947.4679231202 719685.6730011514 1000000.0 1389495.494373136 1930697.7288832497 2682695.7952797217 3727593.720314938 5179474.679231202 7196856.730011513 10000000.0 0.0 2.9086439299358713e-08 5.80533561806147e-08 8.67817193689187e-08 1.1515347785771536e-07 1.4305204600565115e-07 1.7036278261198208e-07 1.9697346200185813e-07 2.227747351856934e-07 2.4766057919761985e-07 2.715287327665956e-07 2.9428111652990295e-07 3.1582423606228735e-07 3.360695660646056e-07 3.549339141332686e-07 3.723397626156721e-07 3.882155871468592e-07 4.024961505584776e-07 4.151227709522976e-07 4.260435628367196e-07 4.3521365033538783e-07 4.4259535159179273e-07 4.4815833361210174e-07 4.5187973690993757e-07 4.5374426944091084e-07 4.5374426944091084e-07 4.5187973690993757e-07 4.4815833361210174e-07 4.4259535159179273e-07 4.352136503353879e-07 4.2604356283671966e-07 4.1512277095229767e-07 4.0249615055847764e-07 3.8821558714685926e-07 3.723397626156722e-07 3.5493391413326864e-07 3.360695660646057e-07 3.158242360622874e-07 2.942811165299031e-07 2.715287327665957e-07 2.4766057919762e-07 2.2277473518569352e-07 1.9697346200185819e-07 1.7036278261198226e-07 1.4305204600565126e-07 1.1515347785771556e-07 8.678171936891881e-08 5.805335618061493e-08 2.9086439299358858e-08 5.559621115282002e-23</parameters>
       </energy>
     </source>
-    <source particle="neutron" strength="0.1" type="independent">
-      <space origin="1.0 1.0 0.0" type="spherical">
-        <r parameters="2.0 3.0" type="uniform"/>
+    <source type="independent" strength="0.1" particle="neutron">
+      <space type="spherical" origin="1.0 1.0 0.0">
+        <r type="uniform" parameters="2.0 3.0"/>
         <cos_theta type="discrete">
           <parameters>0.7071067811865476 0.0 -0.7071067811865475 0.3 0.4 0.3</parameters>
         </cos_theta>
-        <phi parameters="0.0 6.283185307179586" type="uniform"/>
+        <phi type="uniform" parameters="0.0 6.283185307179586"/>
       </space>
       <angle type="isotropic"/>
-      <energy interpolation="histogram" type="tabular">
+      <energy type="tabular" interpolation="histogram">
         <parameters>1.0 1.3894954943731377 1.93069772888325 2.6826957952797255 3.72759372031494 5.17947467923121 7.196856730011519 10.0 13.894954943731374 19.306977288832496 26.826957952797247 37.2759372031494 51.7947467923121 71.96856730011518 100.0 138.94954943731375 193.06977288832496 268.26957952797244 372.7593720314938 517.9474679231207 719.6856730011514 1000.0 1389.4954943731375 1930.6977288832495 2682.6957952797247 3727.593720314938 5179.474679231207 7196.856730011514 10000.0 13894.95494373136 19306.977288832495 26826.95795279722 37275.93720314938 51794.74679231213 71968.56730011514 100000.0 138949.5494373136 193069.77288832495 268269.5795279722 372759.3720314938 517947.4679231202 719685.6730011514 1000000.0 1389495.494373136 1930697.7288832497 2682695.7952797217 3727593.720314938 5179474.679231202 7196856.730011513 10000000.0 0.0 2.9086439299358713e-08 5.80533561806147e-08 8.67817193689187e-08 1.1515347785771536e-07 1.4305204600565115e-07 1.7036278261198208e-07 1.9697346200185813e-07 2.227747351856934e-07 2.4766057919761985e-07 2.715287327665956e-07 2.9428111652990295e-07 3.1582423606228735e-07 3.360695660646056e-07 3.549339141332686e-07 3.723397626156721e-07 3.882155871468592e-07 4.024961505584776e-07 4.151227709522976e-07 4.260435628367196e-07 4.3521365033538783e-07 4.4259535159179273e-07 4.4815833361210174e-07 4.5187973690993757e-07 4.5374426944091084e-07 4.5374426944091084e-07 4.5187973690993757e-07 4.4815833361210174e-07 4.4259535159179273e-07 4.352136503353879e-07 4.2604356283671966e-07 4.1512277095229767e-07 4.0249615055847764e-07 3.8821558714685926e-07 3.723397626156722e-07 3.5493391413326864e-07 3.360695660646057e-07 3.158242360622874e-07 2.942811165299031e-07 2.715287327665957e-07 2.4766057919762e-07 2.2277473518569352e-07 1.9697346200185819e-07 1.7036278261198226e-07 1.4305204600565126e-07 1.1515347785771556e-07 8.678171936891881e-08 5.805335618061493e-08 2.9086439299358858e-08 5.559621115282002e-23</parameters>
       </energy>
     </source>
-    <source particle="neutron" strength="0.1" type="independent">
-      <space origin="1.0 1.0 0.0" type="cylindrical">
-        <r parameters="2.0 3.0" type="uniform"/>
-        <phi parameters="0.0 6.283185307179586" type="uniform"/>
-        <z interpolation="linear-linear" type="tabular">
+    <source type="independent" strength="0.1" particle="neutron">
+      <space type="cylindrical" origin="1.0 1.0 0.0">
+        <r type="uniform" parameters="2.0 3.0"/>
+        <phi type="uniform" parameters="0.0 6.283185307179586"/>
+        <z type="tabular" interpolation="linear-linear">
           <parameters>-2.0 0.0 2.0 0.2 0.3 0.2</parameters>
         </z>
       </space>
       <angle type="isotropic"/>
-      <energy interpolation="histogram" type="tabular">
+      <energy type="tabular" interpolation="histogram">
         <parameters>1.0 1.3894954943731377 1.93069772888325 2.6826957952797255 3.72759372031494 5.17947467923121 7.196856730011519 10.0 13.894954943731374 19.306977288832496 26.826957952797247 37.2759372031494 51.7947467923121 71.96856730011518 100.0 138.94954943731375 193.06977288832496 268.26957952797244 372.7593720314938 517.9474679231207 719.6856730011514 1000.0 1389.4954943731375 1930.6977288832495 2682.6957952797247 3727.593720314938 5179.474679231207 7196.856730011514 10000.0 13894.95494373136 19306.977288832495 26826.95795279722 37275.93720314938 51794.74679231213 71968.56730011514 100000.0 138949.5494373136 193069.77288832495 268269.5795279722 372759.3720314938 517947.4679231202 719685.6730011514 1000000.0 1389495.494373136 1930697.7288832497 2682695.7952797217 3727593.720314938 5179474.679231202 7196856.730011513 10000000.0 0.0 2.9086439299358713e-08 5.80533561806147e-08 8.67817193689187e-08 1.1515347785771536e-07 1.4305204600565115e-07 1.7036278261198208e-07 1.9697346200185813e-07 2.227747351856934e-07 2.4766057919761985e-07 2.715287327665956e-07 2.9428111652990295e-07 3.1582423606228735e-07 3.360695660646056e-07 3.549339141332686e-07 3.723397626156721e-07 3.882155871468592e-07 4.024961505584776e-07 4.151227709522976e-07 4.260435628367196e-07 4.3521365033538783e-07 4.4259535159179273e-07 4.4815833361210174e-07 4.5187973690993757e-07 4.5374426944091084e-07 4.5374426944091084e-07 4.5187973690993757e-07 4.4815833361210174e-07 4.4259535159179273e-07 4.352136503353879e-07 4.2604356283671966e-07 4.1512277095229767e-07 4.0249615055847764e-07 3.8821558714685926e-07 3.723397626156722e-07 3.5493391413326864e-07 3.360695660646057e-07 3.158242360622874e-07 2.942811165299031e-07 2.715287327665957e-07 2.4766057919762e-07 2.2277473518569352e-07 1.9697346200185819e-07 1.7036278261198226e-07 1.4305204600565126e-07 1.1515347785771556e-07 8.678171936891881e-08 5.805335618061493e-08 2.9086439299358858e-08 5.559621115282002e-23</parameters>
       </energy>
     </source>
-    <source particle="neutron" strength="0.1" type="independent">
-      <space origin="1.0 1.0 0.0" type="cylindrical">
-        <r parameters="2.0 3.0" type="uniform"/>
-        <phi parameters="0.0 6.283185307179586" type="uniform"/>
-        <z interpolation="linear-linear" type="tabular">
+    <source type="independent" strength="0.1" particle="neutron">
+      <space type="cylindrical" origin="1.0 1.0 0.0">
+        <r type="uniform" parameters="2.0 3.0"/>
+        <phi type="uniform" parameters="0.0 6.283185307179586"/>
+        <z type="tabular" interpolation="linear-linear">
           <parameters>-2.0 0.0 2.0 0.2 0.3 0.2</parameters>
         </z>
       </space>
       <angle type="isotropic"/>
       <energy type="mixture">
         <pair probability="1.0">
-          <dist parameters="1289500.0" type="maxwell"/>
+          <dist type="maxwell" parameters="1289500.0"/>
         </pair>
         <pair probability="2.0">
-          <dist parameters="988000.0 2.249e-06" type="watt"/>
+          <dist type="watt" parameters="988000.0 2.249e-06"/>
         </pair>
         <pair probability="3.0">
-          <dist interpolation="histogram" type="tabular">
+          <dist type="tabular" interpolation="histogram">
             <parameters>1.0 1.3894954943731377 1.93069772888325 2.6826957952797255 3.72759372031494 5.17947467923121 7.196856730011519 10.0 13.894954943731374 19.306977288832496 26.826957952797247 37.2759372031494 51.7947467923121 71.96856730011518 100.0 138.94954943731375 193.06977288832496 268.26957952797244 372.7593720314938 517.9474679231207 719.6856730011514 1000.0 1389.4954943731375 1930.6977288832495 2682.6957952797247 3727.593720314938 5179.474679231207 7196.856730011514 10000.0 13894.95494373136 19306.977288832495 26826.95795279722 37275.93720314938 51794.74679231213 71968.56730011514 100000.0 138949.5494373136 193069.77288832495 268269.5795279722 372759.3720314938 517947.4679231202 719685.6730011514 1000000.0 1389495.494373136 1930697.7288832497 2682695.7952797217 3727593.720314938 5179474.679231202 7196856.730011513 10000000.0 0.0 2.9086439299358713e-08 5.80533561806147e-08 8.67817193689187e-08 1.1515347785771536e-07 1.4305204600565115e-07 1.7036278261198208e-07 1.9697346200185813e-07 2.227747351856934e-07 2.4766057919761985e-07 2.715287327665956e-07 2.9428111652990295e-07 3.1582423606228735e-07 3.360695660646056e-07 3.549339141332686e-07 3.723397626156721e-07 3.882155871468592e-07 4.024961505584776e-07 4.151227709522976e-07 4.260435628367196e-07 4.3521365033538783e-07 4.4259535159179273e-07 4.4815833361210174e-07 4.5187973690993757e-07 4.5374426944091084e-07 4.5374426944091084e-07 4.5187973690993757e-07 4.4815833361210174e-07 4.4259535159179273e-07 4.352136503353879e-07 4.2604356283671966e-07 4.1512277095229767e-07 4.0249615055847764e-07 3.8821558714685926e-07 3.723397626156722e-07 3.5493391413326864e-07 3.360695660646057e-07 3.158242360622874e-07 2.942811165299031e-07 2.715287327665957e-07 2.4766057919762e-07 2.2277473518569352e-07 1.9697346200185819e-07 1.7036278261198226e-07 1.4305204600565126e-07 1.1515347785771556e-07 8.678171936891881e-08 5.805335618061493e-08 2.9086439299358858e-08 5.559621115282002e-23</parameters>
           </dist>
         </pair>
       </energy>
     </source>
-    <source particle="neutron" strength="0.1" type="independent">
-      <space origin="1.0 1.0 0.0" type="spherical">
-        <r parameters="2.0 3.0 2.0" type="powerlaw"/>
+    <source type="independent" strength="0.1" particle="neutron">
+      <space type="spherical" origin="1.0 1.0 0.0">
+        <r type="powerlaw" parameters="2.0 3.0 2.0"/>
         <cos_theta type="discrete">
           <parameters>0.7071067811865476 0.0 -0.7071067811865475 0.3 0.4 0.3</parameters>
         </cos_theta>
-        <phi parameters="0.0 6.283185307179586" type="uniform"/>
+        <phi type="uniform" parameters="0.0 6.283185307179586"/>
       </space>
       <angle type="isotropic"/>
       <energy type="mixture">
         <pair probability="1.0">
-          <dist parameters="1289500.0" type="maxwell"/>
+          <dist type="maxwell" parameters="1289500.0"/>
         </pair>
         <pair probability="2.0">
-          <dist parameters="988000.0 2.249e-06" type="watt"/>
+          <dist type="watt" parameters="988000.0 2.249e-06"/>
         </pair>
         <pair probability="3.0">
-          <dist interpolation="histogram" type="tabular">
+          <dist type="tabular" interpolation="histogram">
             <parameters>1.0 1.3894954943731377 1.93069772888325 2.6826957952797255 3.72759372031494 5.17947467923121 7.196856730011519 10.0 13.894954943731374 19.306977288832496 26.826957952797247 37.2759372031494 51.7947467923121 71.96856730011518 100.0 138.94954943731375 193.06977288832496 268.26957952797244 372.7593720314938 517.9474679231207 719.6856730011514 1000.0 1389.4954943731375 1930.6977288832495 2682.6957952797247 3727.593720314938 5179.474679231207 7196.856730011514 10000.0 13894.95494373136 19306.977288832495 26826.95795279722 37275.93720314938 51794.74679231213 71968.56730011514 100000.0 138949.5494373136 193069.77288832495 268269.5795279722 372759.3720314938 517947.4679231202 719685.6730011514 1000000.0 1389495.494373136 1930697.7288832497 2682695.7952797217 3727593.720314938 5179474.679231202 7196856.730011513 10000000.0 0.0 2.9086439299358713e-08 5.80533561806147e-08 8.67817193689187e-08 1.1515347785771536e-07 1.4305204600565115e-07 1.7036278261198208e-07 1.9697346200185813e-07 2.227747351856934e-07 2.4766057919761985e-07 2.715287327665956e-07 2.9428111652990295e-07 3.1582423606228735e-07 3.360695660646056e-07 3.549339141332686e-07 3.723397626156721e-07 3.882155871468592e-07 4.024961505584776e-07 4.151227709522976e-07 4.260435628367196e-07 4.3521365033538783e-07 4.4259535159179273e-07 4.4815833361210174e-07 4.5187973690993757e-07 4.5374426944091084e-07 4.5374426944091084e-07 4.5187973690993757e-07 4.4815833361210174e-07 4.4259535159179273e-07 4.352136503353879e-07 4.2604356283671966e-07 4.1512277095229767e-07 4.0249615055847764e-07 3.8821558714685926e-07 3.723397626156722e-07 3.5493391413326864e-07 3.360695660646057e-07 3.158242360622874e-07 2.942811165299031e-07 2.715287327665957e-07 2.4766057919762e-07 2.2277473518569352e-07 1.9697346200185819e-07 1.7036278261198226e-07 1.4305204600565126e-07 1.1515347785771556e-07 8.678171936891881e-08 5.805335618061493e-08 2.9086439299358858e-08 5.559621115282002e-23</parameters>
           </dist>
         </pair>
       </energy>
-      <time parameters="2 5" type="uniform"/>
+      <time type="uniform" parameters="2 5"/>
     </source>
-    <source particle="neutron" strength="0.1" type="independent">
-      <space origin="1.0 1.0 0.0" type="cylindrical">
-        <r parameters="2.0 3.0 1.0" type="powerlaw"/>
-        <phi parameters="0.0 6.283185307179586" type="uniform"/>
-        <z interpolation="linear-linear" type="tabular">
+    <source type="independent" strength="0.1" particle="neutron">
+      <space type="cylindrical" origin="1.0 1.0 0.0">
+        <r type="powerlaw" parameters="2.0 3.0 1.0"/>
+        <phi type="uniform" parameters="0.0 6.283185307179586"/>
+        <z type="tabular" interpolation="linear-linear">
           <parameters>-2.0 0.0 2.0 0.2 0.3 0.2</parameters>
         </z>
       </space>
       <angle type="isotropic"/>
       <energy type="mixture">
         <pair probability="1.0">
-          <dist parameters="1289500.0" type="maxwell"/>
+          <dist type="maxwell" parameters="1289500.0"/>
         </pair>
         <pair probability="2.0">
-          <dist parameters="988000.0 2.249e-06" type="watt"/>
+          <dist type="watt" parameters="988000.0 2.249e-06"/>
         </pair>
         <pair probability="3.0">
-          <dist interpolation="histogram" type="tabular">
+          <dist type="tabular" interpolation="histogram">
             <parameters>1.0 1.3894954943731377 1.93069772888325 2.6826957952797255 3.72759372031494 5.17947467923121 7.196856730011519 10.0 13.894954943731374 19.306977288832496 26.826957952797247 37.2759372031494 51.7947467923121 71.96856730011518 100.0 138.94954943731375 193.06977288832496 268.26957952797244 372.7593720314938 517.9474679231207 719.6856730011514 1000.0 1389.4954943731375 1930.6977288832495 2682.6957952797247 3727.593720314938 5179.474679231207 7196.856730011514 10000.0 13894.95494373136 19306.977288832495 26826.95795279722 37275.93720314938 51794.74679231213 71968.56730011514 100000.0 138949.5494373136 193069.77288832495 268269.5795279722 372759.3720314938 517947.4679231202 719685.6730011514 1000000.0 1389495.494373136 1930697.7288832497 2682695.7952797217 3727593.720314938 5179474.679231202 7196856.730011513 10000000.0 0.0 2.9086439299358713e-08 5.80533561806147e-08 8.67817193689187e-08 1.1515347785771536e-07 1.4305204600565115e-07 1.7036278261198208e-07 1.9697346200185813e-07 2.227747351856934e-07 2.4766057919761985e-07 2.715287327665956e-07 2.9428111652990295e-07 3.1582423606228735e-07 3.360695660646056e-07 3.549339141332686e-07 3.723397626156721e-07 3.882155871468592e-07 4.024961505584776e-07 4.151227709522976e-07 4.260435628367196e-07 4.3521365033538783e-07 4.4259535159179273e-07 4.4815833361210174e-07 4.5187973690993757e-07 4.5374426944091084e-07 4.5374426944091084e-07 4.5187973690993757e-07 4.4815833361210174e-07 4.4259535159179273e-07 4.352136503353879e-07 4.2604356283671966e-07 4.1512277095229767e-07 4.0249615055847764e-07 3.8821558714685926e-07 3.723397626156722e-07 3.5493391413326864e-07 3.360695660646057e-07 3.158242360622874e-07 2.942811165299031e-07 2.715287327665957e-07 2.4766057919762e-07 2.2277473518569352e-07 1.9697346200185819e-07 1.7036278261198226e-07 1.4305204600565126e-07 1.1515347785771556e-07 8.678171936891881e-08 5.805335618061493e-08 2.9086439299358858e-08 5.559621115282002e-23</parameters>
           </dist>
         </pair>
       </energy>
-      <time parameters="2 5" type="uniform"/>
+      <time type="uniform" parameters="2 5"/>
     </source>
   </settings>
   </model>
diff --git a/tests/regression_tests/source_dlopen/inputs_true.dat b/tests/regression_tests/source_dlopen/inputs_true.dat
index 28d1e06e2..9b4601d9f 100644
--- a/tests/regression_tests/source_dlopen/inputs_true.dat
+++ b/tests/regression_tests/source_dlopen/inputs_true.dat
@@ -2,23 +2,23 @@
 <model>
   <materials>
     <material id="1" name="natural_lead">
-      <density units="g/cm3" value="11.34"/>
-      <nuclide ao="0.014" name="Pb204"/>
-      <nuclide ao="0.241" name="Pb206"/>
-      <nuclide ao="0.221" name="Pb207"/>
-      <nuclide ao="0.524" name="Pb208"/>
+      <density value="11.34" units="g/cm3"/>
+      <nuclide name="Pb204" ao="0.014"/>
+      <nuclide name="Pb206" ao="0.241"/>
+      <nuclide name="Pb207" ao="0.221"/>
+      <nuclide name="Pb208" ao="0.524"/>
     </material>
   </materials>
   <geometry>
     <cell id="1" material="1" region="-1" universe="1"/>
-    <surface boundary="vacuum" coeffs="0.0 0.0 0.0 100" id="1" type="sphere"/>
+    <surface id="1" type="sphere" boundary="vacuum" coeffs="0.0 0.0 0.0 100"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
     <particles>1000</particles>
     <batches>10</batches>
     <inactive>0</inactive>
-    <source library="build/libsource.so" strength="1.0" type="compiled"/>
+    <source type="compiled" strength="1.0" library="build/libsource.so"/>
   </settings>
   <tallies>
     <filter id="1" type="material">
diff --git a/tests/regression_tests/source_parameterized_dlopen/inputs_true.dat b/tests/regression_tests/source_parameterized_dlopen/inputs_true.dat
index 6cf3473f9..088d65ada 100644
--- a/tests/regression_tests/source_parameterized_dlopen/inputs_true.dat
+++ b/tests/regression_tests/source_parameterized_dlopen/inputs_true.dat
@@ -2,23 +2,23 @@
 <model>
   <materials>
     <material id="1" name="natural_lead">
-      <density units="g/cm3" value="11.34"/>
-      <nuclide ao="0.014" name="Pb204"/>
-      <nuclide ao="0.241" name="Pb206"/>
-      <nuclide ao="0.221" name="Pb207"/>
-      <nuclide ao="0.524" name="Pb208"/>
+      <density value="11.34" units="g/cm3"/>
+      <nuclide name="Pb204" ao="0.014"/>
+      <nuclide name="Pb206" ao="0.241"/>
+      <nuclide name="Pb207" ao="0.221"/>
+      <nuclide name="Pb208" ao="0.524"/>
     </material>
   </materials>
   <geometry>
     <cell id="1" material="1" region="-1" universe="1"/>
-    <surface boundary="vacuum" coeffs="0.0 0.0 0.0 100" id="1" type="sphere"/>
+    <surface id="1" type="sphere" boundary="vacuum" coeffs="0.0 0.0 0.0 100"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
     <particles>1000</particles>
     <batches>10</batches>
     <inactive>0</inactive>
-    <source library="build/libsource.so" parameters="1e3" strength="1.0" type="compiled"/>
+    <source type="compiled" strength="1.0" library="build/libsource.so" parameters="1e3"/>
   </settings>
   <tallies>
     <filter id="1" type="material">
diff --git a/tests/regression_tests/stride/inputs_true.dat b/tests/regression_tests/stride/inputs_true.dat
index f93ec33d1..ebae53c05 100644
--- a/tests/regression_tests/stride/inputs_true.dat
+++ b/tests/regression_tests/stride/inputs_true.dat
@@ -1,21 +1,21 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1">
-      <density units="g/cm3" value="4.5"/>
-      <nuclide ao="1.0" name="U235"/>
+    <material id="1" depletable="true">
+      <density value="4.5" units="g/cm3"/>
+      <nuclide name="U235" ao="1.0"/>
     </material>
   </materials>
   <geometry>
     <cell id="1" material="1" region="-1" universe="1"/>
-    <surface boundary="vacuum" coeffs="0.0 0.0 0.0 10.0" id="1" type="sphere"/>
+    <surface id="1" type="sphere" boundary="vacuum" coeffs="0.0 0.0 0.0 10.0"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
     <particles>1000</particles>
     <batches>10</batches>
     <inactive>5</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>-4 -4 -4 4 4 4</parameters>
       </space>
diff --git a/tests/regression_tests/surface_source/inputs_true_read_h5.dat b/tests/regression_tests/surface_source/inputs_true_read_h5.dat
index 14a55f0bf..321c11d42 100644
--- a/tests/regression_tests/surface_source/inputs_true_read_h5.dat
+++ b/tests/regression_tests/surface_source/inputs_true_read_h5.dat
@@ -7,10 +7,10 @@
     <cell id="2" material="void" region="1 -2" universe="1"/>
     <cell id="3" material="void" region="2 -3" universe="1"/>
     <cell id="4" material="void" region="3 -4" universe="1"/>
-    <surface coeffs="0.0 0.0 0.0 1.0" id="1" type="sphere"/>
-    <surface coeffs="0.0 0.0 0.0 2.0" id="2" type="sphere"/>
-    <surface coeffs="0.0 0.0 0.0 2.5" id="3" type="sphere"/>
-    <surface boundary="vacuum" coeffs="0.0 0.0 0.0 4.0" id="4" type="sphere"/>
+    <surface id="1" type="sphere" coeffs="0.0 0.0 0.0 1.0"/>
+    <surface id="2" type="sphere" coeffs="0.0 0.0 0.0 2.0"/>
+    <surface id="3" type="sphere" coeffs="0.0 0.0 0.0 2.5"/>
+    <surface id="4" type="sphere" boundary="vacuum" coeffs="0.0 0.0 0.0 4.0"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
diff --git a/tests/regression_tests/surface_source/inputs_true_read_mcpl.dat b/tests/regression_tests/surface_source/inputs_true_read_mcpl.dat
index b8d8c575a..2ee76f618 100644
--- a/tests/regression_tests/surface_source/inputs_true_read_mcpl.dat
+++ b/tests/regression_tests/surface_source/inputs_true_read_mcpl.dat
@@ -7,10 +7,10 @@
     <cell id="2" material="void" region="1 -2" universe="1"/>
     <cell id="3" material="void" region="2 -3" universe="1"/>
     <cell id="4" material="void" region="3 -4" universe="1"/>
-    <surface coeffs="0.0 0.0 0.0 1.0" id="1" type="sphere"/>
-    <surface coeffs="0.0 0.0 0.0 2.0" id="2" type="sphere"/>
-    <surface coeffs="0.0 0.0 0.0 2.5" id="3" type="sphere"/>
-    <surface boundary="vacuum" coeffs="0.0 0.0 0.0 4.0" id="4" type="sphere"/>
+    <surface id="1" type="sphere" coeffs="0.0 0.0 0.0 1.0"/>
+    <surface id="2" type="sphere" coeffs="0.0 0.0 0.0 2.0"/>
+    <surface id="3" type="sphere" coeffs="0.0 0.0 0.0 2.5"/>
+    <surface id="4" type="sphere" boundary="vacuum" coeffs="0.0 0.0 0.0 4.0"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
diff --git a/tests/regression_tests/surface_source/inputs_true_write_h5.dat b/tests/regression_tests/surface_source/inputs_true_write_h5.dat
index 5c85de631..10e3af0a7 100644
--- a/tests/regression_tests/surface_source/inputs_true_write_h5.dat
+++ b/tests/regression_tests/surface_source/inputs_true_write_h5.dat
@@ -7,16 +7,16 @@
     <cell id="2" material="void" region="1 -2" universe="1"/>
     <cell id="3" material="void" region="2 -3" universe="1"/>
     <cell id="4" material="void" region="3 -4" universe="1"/>
-    <surface coeffs="0.0 0.0 0.0 1.0" id="1" type="sphere"/>
-    <surface coeffs="0.0 0.0 0.0 2.0" id="2" type="sphere"/>
-    <surface coeffs="0.0 0.0 0.0 2.5" id="3" type="sphere"/>
-    <surface boundary="vacuum" coeffs="0.0 0.0 0.0 4.0" id="4" type="sphere"/>
+    <surface id="1" type="sphere" coeffs="0.0 0.0 0.0 1.0"/>
+    <surface id="2" type="sphere" coeffs="0.0 0.0 0.0 2.0"/>
+    <surface id="3" type="sphere" coeffs="0.0 0.0 0.0 2.5"/>
+    <surface id="4" type="sphere" boundary="vacuum" coeffs="0.0 0.0 0.0 4.0"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
     <particles>1000</particles>
     <batches>10</batches>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="point">
         <parameters>0 0 0</parameters>
       </space>
diff --git a/tests/regression_tests/surface_source/inputs_true_write_mcpl.dat b/tests/regression_tests/surface_source/inputs_true_write_mcpl.dat
index c55223324..e9758144d 100644
--- a/tests/regression_tests/surface_source/inputs_true_write_mcpl.dat
+++ b/tests/regression_tests/surface_source/inputs_true_write_mcpl.dat
@@ -7,16 +7,16 @@
     <cell id="2" material="void" region="1 -2" universe="1"/>
     <cell id="3" material="void" region="2 -3" universe="1"/>
     <cell id="4" material="void" region="3 -4" universe="1"/>
-    <surface coeffs="0.0 0.0 0.0 1.0" id="1" type="sphere"/>
-    <surface coeffs="0.0 0.0 0.0 2.0" id="2" type="sphere"/>
-    <surface coeffs="0.0 0.0 0.0 2.5" id="3" type="sphere"/>
-    <surface boundary="vacuum" coeffs="0.0 0.0 0.0 4.0" id="4" type="sphere"/>
+    <surface id="1" type="sphere" coeffs="0.0 0.0 0.0 1.0"/>
+    <surface id="2" type="sphere" coeffs="0.0 0.0 0.0 2.0"/>
+    <surface id="3" type="sphere" coeffs="0.0 0.0 0.0 2.5"/>
+    <surface id="4" type="sphere" boundary="vacuum" coeffs="0.0 0.0 0.0 4.0"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
     <particles>1000</particles>
     <batches>10</batches>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="point">
         <parameters>0 0 0</parameters>
       </space>
diff --git a/tests/regression_tests/surface_source_write/case-01/inputs_true.dat b/tests/regression_tests/surface_source_write/case-01/inputs_true.dat
index 7368debd5..2a67b03dd 100644
--- a/tests/regression_tests/surface_source_write/case-01/inputs_true.dat
+++ b/tests/regression_tests/surface_source_write/case-01/inputs_true.dat
@@ -1,47 +1,47 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1">
-      <density units="g/cm3" value="11.0"/>
-      <nuclide ao="0.0004524" name="U234"/>
-      <nuclide ao="0.0506068" name="U235"/>
-      <nuclide ao="0.948709" name="U238"/>
-      <nuclide ao="0.0002318" name="U236"/>
-      <nuclide ao="2.0" name="O16"/>
+    <material id="1" depletable="true">
+      <density value="11.0" units="g/cm3"/>
+      <nuclide name="U234" ao="0.0004524"/>
+      <nuclide name="U235" ao="0.0506068"/>
+      <nuclide name="U238" ao="0.948709"/>
+      <nuclide name="U236" ao="0.0002318"/>
+      <nuclide name="O16" ao="2.0"/>
     </material>
     <material id="2">
-      <density units="g/cm3" value="1.0"/>
-      <nuclide ao="2.0" name="H1"/>
-      <nuclide ao="1.0" name="O16"/>
+      <density value="1.0" units="g/cm3"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
     </material>
   </materials>
   <geometry>
     <cell id="1" material="1" region="-1 2 -3" universe="1"/>
     <cell id="2" material="2" region="1 | -2 | 3" universe="1"/>
-    <cell fill="1" id="3" region="-5 4 -7 6 -9 8" universe="2"/>
+    <cell id="3" fill="1" region="-5 4 -7 6 -9 8" universe="2"/>
     <cell id="4" material="2" region="-11 10 -13 12 -15 14 (5 | -4 | 7 | -6 | 9 | -8)" universe="2"/>
-    <surface coeffs="0.0 0.0 2.0" id="1" type="z-cylinder"/>
-    <surface coeffs="-2.0" id="2" type="z-plane"/>
-    <surface coeffs="2.0" id="3" type="z-plane"/>
-    <surface coeffs="-3.0" id="4" type="x-plane"/>
-    <surface coeffs="3.0" id="5" type="x-plane"/>
-    <surface coeffs="-3.0" id="6" type="y-plane"/>
-    <surface coeffs="3.0" id="7" type="y-plane"/>
-    <surface coeffs="-3.0" id="8" type="z-plane"/>
-    <surface coeffs="3.0" id="9" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="-4.0" id="10" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="4.0" id="11" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="-4.0" id="12" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="4.0" id="13" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="-4.0" id="14" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="4.0" id="15" type="z-plane"/>
+    <surface id="1" type="z-cylinder" coeffs="0.0 0.0 2.0"/>
+    <surface id="2" type="z-plane" coeffs="-2.0"/>
+    <surface id="3" type="z-plane" coeffs="2.0"/>
+    <surface id="4" type="x-plane" coeffs="-3.0"/>
+    <surface id="5" type="x-plane" coeffs="3.0"/>
+    <surface id="6" type="y-plane" coeffs="-3.0"/>
+    <surface id="7" type="y-plane" coeffs="3.0"/>
+    <surface id="8" type="z-plane" coeffs="-3.0"/>
+    <surface id="9" type="z-plane" coeffs="3.0"/>
+    <surface id="10" type="x-plane" boundary="vacuum" coeffs="-4.0"/>
+    <surface id="11" type="x-plane" boundary="vacuum" coeffs="4.0"/>
+    <surface id="12" type="y-plane" boundary="vacuum" coeffs="-4.0"/>
+    <surface id="13" type="y-plane" boundary="vacuum" coeffs="4.0"/>
+    <surface id="14" type="z-plane" boundary="vacuum" coeffs="-4.0"/>
+    <surface id="15" type="z-plane" boundary="vacuum" coeffs="4.0"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
     <particles>100</particles>
     <batches>5</batches>
     <inactive>1</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
       </space>
diff --git a/tests/regression_tests/surface_source_write/case-02/inputs_true.dat b/tests/regression_tests/surface_source_write/case-02/inputs_true.dat
index 12f15499f..527f076b9 100644
--- a/tests/regression_tests/surface_source_write/case-02/inputs_true.dat
+++ b/tests/regression_tests/surface_source_write/case-02/inputs_true.dat
@@ -1,47 +1,47 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1">
-      <density units="g/cm3" value="11.0"/>
-      <nuclide ao="0.0004524" name="U234"/>
-      <nuclide ao="0.0506068" name="U235"/>
-      <nuclide ao="0.948709" name="U238"/>
-      <nuclide ao="0.0002318" name="U236"/>
-      <nuclide ao="2.0" name="O16"/>
+    <material id="1" depletable="true">
+      <density value="11.0" units="g/cm3"/>
+      <nuclide name="U234" ao="0.0004524"/>
+      <nuclide name="U235" ao="0.0506068"/>
+      <nuclide name="U238" ao="0.948709"/>
+      <nuclide name="U236" ao="0.0002318"/>
+      <nuclide name="O16" ao="2.0"/>
     </material>
     <material id="2">
-      <density units="g/cm3" value="1.0"/>
-      <nuclide ao="2.0" name="H1"/>
-      <nuclide ao="1.0" name="O16"/>
+      <density value="1.0" units="g/cm3"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
     </material>
   </materials>
   <geometry>
     <cell id="1" material="1" region="-1 2 -3" universe="1"/>
     <cell id="2" material="2" region="1 | -2 | 3" universe="1"/>
-    <cell fill="1" id="3" region="-5 4 -7 6 -9 8" universe="2"/>
+    <cell id="3" fill="1" region="-5 4 -7 6 -9 8" universe="2"/>
     <cell id="4" material="2" region="-11 10 -13 12 -15 14 (5 | -4 | 7 | -6 | 9 | -8)" universe="2"/>
-    <surface coeffs="0.0 0.0 2.0" id="1" type="z-cylinder"/>
-    <surface coeffs="-2.0" id="2" type="z-plane"/>
-    <surface coeffs="2.0" id="3" type="z-plane"/>
-    <surface coeffs="-3.0" id="4" type="x-plane"/>
-    <surface coeffs="3.0" id="5" type="x-plane"/>
-    <surface coeffs="-3.0" id="6" type="y-plane"/>
-    <surface coeffs="3.0" id="7" type="y-plane"/>
-    <surface coeffs="-3.0" id="8" type="z-plane"/>
-    <surface coeffs="3.0" id="9" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="-4.0" id="10" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="4.0" id="11" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="-4.0" id="12" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="4.0" id="13" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="-4.0" id="14" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="4.0" id="15" type="z-plane"/>
+    <surface id="1" type="z-cylinder" coeffs="0.0 0.0 2.0"/>
+    <surface id="2" type="z-plane" coeffs="-2.0"/>
+    <surface id="3" type="z-plane" coeffs="2.0"/>
+    <surface id="4" type="x-plane" coeffs="-3.0"/>
+    <surface id="5" type="x-plane" coeffs="3.0"/>
+    <surface id="6" type="y-plane" coeffs="-3.0"/>
+    <surface id="7" type="y-plane" coeffs="3.0"/>
+    <surface id="8" type="z-plane" coeffs="-3.0"/>
+    <surface id="9" type="z-plane" coeffs="3.0"/>
+    <surface id="10" type="x-plane" boundary="vacuum" coeffs="-4.0"/>
+    <surface id="11" type="x-plane" boundary="vacuum" coeffs="4.0"/>
+    <surface id="12" type="y-plane" boundary="vacuum" coeffs="-4.0"/>
+    <surface id="13" type="y-plane" boundary="vacuum" coeffs="4.0"/>
+    <surface id="14" type="z-plane" boundary="vacuum" coeffs="-4.0"/>
+    <surface id="15" type="z-plane" boundary="vacuum" coeffs="4.0"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
     <particles>100</particles>
     <batches>5</batches>
     <inactive>1</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
       </space>
diff --git a/tests/regression_tests/surface_source_write/case-03/inputs_true.dat b/tests/regression_tests/surface_source_write/case-03/inputs_true.dat
index cd0f7deda..58c4e0a24 100644
--- a/tests/regression_tests/surface_source_write/case-03/inputs_true.dat
+++ b/tests/regression_tests/surface_source_write/case-03/inputs_true.dat
@@ -1,47 +1,47 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1">
-      <density units="g/cm3" value="11.0"/>
-      <nuclide ao="0.0004524" name="U234"/>
-      <nuclide ao="0.0506068" name="U235"/>
-      <nuclide ao="0.948709" name="U238"/>
-      <nuclide ao="0.0002318" name="U236"/>
-      <nuclide ao="2.0" name="O16"/>
+    <material id="1" depletable="true">
+      <density value="11.0" units="g/cm3"/>
+      <nuclide name="U234" ao="0.0004524"/>
+      <nuclide name="U235" ao="0.0506068"/>
+      <nuclide name="U238" ao="0.948709"/>
+      <nuclide name="U236" ao="0.0002318"/>
+      <nuclide name="O16" ao="2.0"/>
     </material>
     <material id="2">
-      <density units="g/cm3" value="1.0"/>
-      <nuclide ao="2.0" name="H1"/>
-      <nuclide ao="1.0" name="O16"/>
+      <density value="1.0" units="g/cm3"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
     </material>
   </materials>
   <geometry>
     <cell id="1" material="1" region="-1 2 -3" universe="1"/>
     <cell id="2" material="2" region="1 | -2 | 3" universe="1"/>
-    <cell fill="1" id="3" region="-5 4 -7 6 -9 8" universe="2"/>
+    <cell id="3" fill="1" region="-5 4 -7 6 -9 8" universe="2"/>
     <cell id="4" material="2" region="-11 10 -13 12 -15 14 (5 | -4 | 7 | -6 | 9 | -8)" universe="2"/>
-    <surface coeffs="0.0 0.0 2.0" id="1" type="z-cylinder"/>
-    <surface coeffs="-2.0" id="2" type="z-plane"/>
-    <surface coeffs="2.0" id="3" type="z-plane"/>
-    <surface coeffs="-3.0" id="4" type="x-plane"/>
-    <surface coeffs="3.0" id="5" type="x-plane"/>
-    <surface coeffs="-3.0" id="6" type="y-plane"/>
-    <surface coeffs="3.0" id="7" type="y-plane"/>
-    <surface coeffs="-3.0" id="8" type="z-plane"/>
-    <surface coeffs="3.0" id="9" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="-4.0" id="10" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="4.0" id="11" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="-4.0" id="12" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="4.0" id="13" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="-4.0" id="14" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="4.0" id="15" type="z-plane"/>
+    <surface id="1" type="z-cylinder" coeffs="0.0 0.0 2.0"/>
+    <surface id="2" type="z-plane" coeffs="-2.0"/>
+    <surface id="3" type="z-plane" coeffs="2.0"/>
+    <surface id="4" type="x-plane" coeffs="-3.0"/>
+    <surface id="5" type="x-plane" coeffs="3.0"/>
+    <surface id="6" type="y-plane" coeffs="-3.0"/>
+    <surface id="7" type="y-plane" coeffs="3.0"/>
+    <surface id="8" type="z-plane" coeffs="-3.0"/>
+    <surface id="9" type="z-plane" coeffs="3.0"/>
+    <surface id="10" type="x-plane" boundary="vacuum" coeffs="-4.0"/>
+    <surface id="11" type="x-plane" boundary="vacuum" coeffs="4.0"/>
+    <surface id="12" type="y-plane" boundary="vacuum" coeffs="-4.0"/>
+    <surface id="13" type="y-plane" boundary="vacuum" coeffs="4.0"/>
+    <surface id="14" type="z-plane" boundary="vacuum" coeffs="-4.0"/>
+    <surface id="15" type="z-plane" boundary="vacuum" coeffs="4.0"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
     <particles>100</particles>
     <batches>5</batches>
     <inactive>1</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
       </space>
diff --git a/tests/regression_tests/surface_source_write/case-04/inputs_true.dat b/tests/regression_tests/surface_source_write/case-04/inputs_true.dat
index ac3c03e37..46701aea7 100644
--- a/tests/regression_tests/surface_source_write/case-04/inputs_true.dat
+++ b/tests/regression_tests/surface_source_write/case-04/inputs_true.dat
@@ -1,47 +1,47 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1">
-      <density units="g/cm3" value="11.0"/>
-      <nuclide ao="0.0004524" name="U234"/>
-      <nuclide ao="0.0506068" name="U235"/>
-      <nuclide ao="0.948709" name="U238"/>
-      <nuclide ao="0.0002318" name="U236"/>
-      <nuclide ao="2.0" name="O16"/>
+    <material id="1" depletable="true">
+      <density value="11.0" units="g/cm3"/>
+      <nuclide name="U234" ao="0.0004524"/>
+      <nuclide name="U235" ao="0.0506068"/>
+      <nuclide name="U238" ao="0.948709"/>
+      <nuclide name="U236" ao="0.0002318"/>
+      <nuclide name="O16" ao="2.0"/>
     </material>
     <material id="2">
-      <density units="g/cm3" value="1.0"/>
-      <nuclide ao="2.0" name="H1"/>
-      <nuclide ao="1.0" name="O16"/>
+      <density value="1.0" units="g/cm3"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
     </material>
   </materials>
   <geometry>
     <cell id="1" material="1" region="-1 2 -3" universe="1"/>
     <cell id="2" material="2" region="1 | -2 | 3" universe="1"/>
-    <cell fill="1" id="3" region="-5 4 -7 6 -9 8" universe="2"/>
+    <cell id="3" fill="1" region="-5 4 -7 6 -9 8" universe="2"/>
     <cell id="4" material="2" region="-11 10 -13 12 -15 14 (5 | -4 | 7 | -6 | 9 | -8)" universe="2"/>
-    <surface coeffs="0.0 0.0 2.0" id="1" type="z-cylinder"/>
-    <surface coeffs="-2.0" id="2" type="z-plane"/>
-    <surface coeffs="2.0" id="3" type="z-plane"/>
-    <surface coeffs="-3.0" id="4" type="x-plane"/>
-    <surface coeffs="3.0" id="5" type="x-plane"/>
-    <surface coeffs="-3.0" id="6" type="y-plane"/>
-    <surface coeffs="3.0" id="7" type="y-plane"/>
-    <surface coeffs="-3.0" id="8" type="z-plane"/>
-    <surface coeffs="3.0" id="9" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="-4.0" id="10" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="4.0" id="11" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="-4.0" id="12" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="4.0" id="13" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="-4.0" id="14" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="4.0" id="15" type="z-plane"/>
+    <surface id="1" type="z-cylinder" coeffs="0.0 0.0 2.0"/>
+    <surface id="2" type="z-plane" coeffs="-2.0"/>
+    <surface id="3" type="z-plane" coeffs="2.0"/>
+    <surface id="4" type="x-plane" coeffs="-3.0"/>
+    <surface id="5" type="x-plane" coeffs="3.0"/>
+    <surface id="6" type="y-plane" coeffs="-3.0"/>
+    <surface id="7" type="y-plane" coeffs="3.0"/>
+    <surface id="8" type="z-plane" coeffs="-3.0"/>
+    <surface id="9" type="z-plane" coeffs="3.0"/>
+    <surface id="10" type="x-plane" boundary="vacuum" coeffs="-4.0"/>
+    <surface id="11" type="x-plane" boundary="vacuum" coeffs="4.0"/>
+    <surface id="12" type="y-plane" boundary="vacuum" coeffs="-4.0"/>
+    <surface id="13" type="y-plane" boundary="vacuum" coeffs="4.0"/>
+    <surface id="14" type="z-plane" boundary="vacuum" coeffs="-4.0"/>
+    <surface id="15" type="z-plane" boundary="vacuum" coeffs="4.0"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
     <particles>100</particles>
     <batches>5</batches>
     <inactive>1</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
       </space>
diff --git a/tests/regression_tests/surface_source_write/case-05/inputs_true.dat b/tests/regression_tests/surface_source_write/case-05/inputs_true.dat
index 143e85200..c420d797c 100644
--- a/tests/regression_tests/surface_source_write/case-05/inputs_true.dat
+++ b/tests/regression_tests/surface_source_write/case-05/inputs_true.dat
@@ -1,47 +1,47 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1">
-      <density units="g/cm3" value="11.0"/>
-      <nuclide ao="0.0004524" name="U234"/>
-      <nuclide ao="0.0506068" name="U235"/>
-      <nuclide ao="0.948709" name="U238"/>
-      <nuclide ao="0.0002318" name="U236"/>
-      <nuclide ao="2.0" name="O16"/>
+    <material id="1" depletable="true">
+      <density value="11.0" units="g/cm3"/>
+      <nuclide name="U234" ao="0.0004524"/>
+      <nuclide name="U235" ao="0.0506068"/>
+      <nuclide name="U238" ao="0.948709"/>
+      <nuclide name="U236" ao="0.0002318"/>
+      <nuclide name="O16" ao="2.0"/>
     </material>
     <material id="2">
-      <density units="g/cm3" value="1.0"/>
-      <nuclide ao="2.0" name="H1"/>
-      <nuclide ao="1.0" name="O16"/>
+      <density value="1.0" units="g/cm3"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
     </material>
   </materials>
   <geometry>
     <cell id="1" material="1" region="-1 2 -3" universe="1"/>
     <cell id="2" material="2" region="1 | -2 | 3" universe="1"/>
-    <cell fill="1" id="3" region="-5 4 -7 6 -9 8" universe="2"/>
+    <cell id="3" fill="1" region="-5 4 -7 6 -9 8" universe="2"/>
     <cell id="4" material="2" region="-11 10 -13 12 -15 14 (5 | -4 | 7 | -6 | 9 | -8)" universe="2"/>
-    <surface coeffs="0.0 0.0 2.0" id="1" type="z-cylinder"/>
-    <surface coeffs="-2.0" id="2" type="z-plane"/>
-    <surface coeffs="2.0" id="3" type="z-plane"/>
-    <surface coeffs="-3.0" id="4" type="x-plane"/>
-    <surface coeffs="3.0" id="5" type="x-plane"/>
-    <surface coeffs="-3.0" id="6" type="y-plane"/>
-    <surface coeffs="3.0" id="7" type="y-plane"/>
-    <surface coeffs="-3.0" id="8" type="z-plane"/>
-    <surface coeffs="3.0" id="9" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="-4.0" id="10" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="4.0" id="11" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="-4.0" id="12" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="4.0" id="13" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="-4.0" id="14" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="4.0" id="15" type="z-plane"/>
+    <surface id="1" type="z-cylinder" coeffs="0.0 0.0 2.0"/>
+    <surface id="2" type="z-plane" coeffs="-2.0"/>
+    <surface id="3" type="z-plane" coeffs="2.0"/>
+    <surface id="4" type="x-plane" coeffs="-3.0"/>
+    <surface id="5" type="x-plane" coeffs="3.0"/>
+    <surface id="6" type="y-plane" coeffs="-3.0"/>
+    <surface id="7" type="y-plane" coeffs="3.0"/>
+    <surface id="8" type="z-plane" coeffs="-3.0"/>
+    <surface id="9" type="z-plane" coeffs="3.0"/>
+    <surface id="10" type="x-plane" boundary="vacuum" coeffs="-4.0"/>
+    <surface id="11" type="x-plane" boundary="vacuum" coeffs="4.0"/>
+    <surface id="12" type="y-plane" boundary="vacuum" coeffs="-4.0"/>
+    <surface id="13" type="y-plane" boundary="vacuum" coeffs="4.0"/>
+    <surface id="14" type="z-plane" boundary="vacuum" coeffs="-4.0"/>
+    <surface id="15" type="z-plane" boundary="vacuum" coeffs="4.0"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
     <particles>100</particles>
     <batches>5</batches>
     <inactive>1</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
       </space>
diff --git a/tests/regression_tests/surface_source_write/case-06/inputs_true.dat b/tests/regression_tests/surface_source_write/case-06/inputs_true.dat
index f2dc7ea35..e02d5e90c 100644
--- a/tests/regression_tests/surface_source_write/case-06/inputs_true.dat
+++ b/tests/regression_tests/surface_source_write/case-06/inputs_true.dat
@@ -1,47 +1,47 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1">
-      <density units="g/cm3" value="11.0"/>
-      <nuclide ao="0.0004524" name="U234"/>
-      <nuclide ao="0.0506068" name="U235"/>
-      <nuclide ao="0.948709" name="U238"/>
-      <nuclide ao="0.0002318" name="U236"/>
-      <nuclide ao="2.0" name="O16"/>
+    <material id="1" depletable="true">
+      <density value="11.0" units="g/cm3"/>
+      <nuclide name="U234" ao="0.0004524"/>
+      <nuclide name="U235" ao="0.0506068"/>
+      <nuclide name="U238" ao="0.948709"/>
+      <nuclide name="U236" ao="0.0002318"/>
+      <nuclide name="O16" ao="2.0"/>
     </material>
     <material id="2">
-      <density units="g/cm3" value="1.0"/>
-      <nuclide ao="2.0" name="H1"/>
-      <nuclide ao="1.0" name="O16"/>
+      <density value="1.0" units="g/cm3"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
     </material>
   </materials>
   <geometry>
     <cell id="1" material="1" region="-1 2 -3" universe="1"/>
     <cell id="2" material="2" region="1 | -2 | 3" universe="1"/>
-    <cell fill="1" id="3" region="-5 4 -7 6 -9 8" universe="2"/>
+    <cell id="3" fill="1" region="-5 4 -7 6 -9 8" universe="2"/>
     <cell id="4" material="2" region="-11 10 -13 12 -15 14 (5 | -4 | 7 | -6 | 9 | -8)" universe="2"/>
-    <surface coeffs="0.0 0.0 2.0" id="1" type="z-cylinder"/>
-    <surface coeffs="-2.0" id="2" type="z-plane"/>
-    <surface coeffs="2.0" id="3" type="z-plane"/>
-    <surface coeffs="-3.0" id="4" type="x-plane"/>
-    <surface coeffs="3.0" id="5" type="x-plane"/>
-    <surface coeffs="-3.0" id="6" type="y-plane"/>
-    <surface coeffs="3.0" id="7" type="y-plane"/>
-    <surface coeffs="-3.0" id="8" type="z-plane"/>
-    <surface coeffs="3.0" id="9" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="-4.0" id="10" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="4.0" id="11" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="-4.0" id="12" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="4.0" id="13" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="-4.0" id="14" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="4.0" id="15" type="z-plane"/>
+    <surface id="1" type="z-cylinder" coeffs="0.0 0.0 2.0"/>
+    <surface id="2" type="z-plane" coeffs="-2.0"/>
+    <surface id="3" type="z-plane" coeffs="2.0"/>
+    <surface id="4" type="x-plane" coeffs="-3.0"/>
+    <surface id="5" type="x-plane" coeffs="3.0"/>
+    <surface id="6" type="y-plane" coeffs="-3.0"/>
+    <surface id="7" type="y-plane" coeffs="3.0"/>
+    <surface id="8" type="z-plane" coeffs="-3.0"/>
+    <surface id="9" type="z-plane" coeffs="3.0"/>
+    <surface id="10" type="x-plane" boundary="vacuum" coeffs="-4.0"/>
+    <surface id="11" type="x-plane" boundary="vacuum" coeffs="4.0"/>
+    <surface id="12" type="y-plane" boundary="vacuum" coeffs="-4.0"/>
+    <surface id="13" type="y-plane" boundary="vacuum" coeffs="4.0"/>
+    <surface id="14" type="z-plane" boundary="vacuum" coeffs="-4.0"/>
+    <surface id="15" type="z-plane" boundary="vacuum" coeffs="4.0"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
     <particles>100</particles>
     <batches>5</batches>
     <inactive>1</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
       </space>
diff --git a/tests/regression_tests/surface_source_write/case-07/inputs_true.dat b/tests/regression_tests/surface_source_write/case-07/inputs_true.dat
index a6107d16f..a4588c8d0 100644
--- a/tests/regression_tests/surface_source_write/case-07/inputs_true.dat
+++ b/tests/regression_tests/surface_source_write/case-07/inputs_true.dat
@@ -1,47 +1,47 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1">
-      <density units="g/cm3" value="11.0"/>
-      <nuclide ao="0.0004524" name="U234"/>
-      <nuclide ao="0.0506068" name="U235"/>
-      <nuclide ao="0.948709" name="U238"/>
-      <nuclide ao="0.0002318" name="U236"/>
-      <nuclide ao="2.0" name="O16"/>
+    <material id="1" depletable="true">
+      <density value="11.0" units="g/cm3"/>
+      <nuclide name="U234" ao="0.0004524"/>
+      <nuclide name="U235" ao="0.0506068"/>
+      <nuclide name="U238" ao="0.948709"/>
+      <nuclide name="U236" ao="0.0002318"/>
+      <nuclide name="O16" ao="2.0"/>
     </material>
     <material id="2">
-      <density units="g/cm3" value="1.0"/>
-      <nuclide ao="2.0" name="H1"/>
-      <nuclide ao="1.0" name="O16"/>
+      <density value="1.0" units="g/cm3"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
     </material>
   </materials>
   <geometry>
     <cell id="1" material="1" region="-1 2 -3" universe="1"/>
     <cell id="2" material="2" region="1 | -2 | 3" universe="1"/>
-    <cell fill="1" id="3" region="-5 4 -7 6 -9 8" universe="2"/>
+    <cell id="3" fill="1" region="-5 4 -7 6 -9 8" universe="2"/>
     <cell id="4" material="2" region="-11 10 -13 12 -15 14 (5 | -4 | 7 | -6 | 9 | -8)" universe="2"/>
-    <surface coeffs="0.0 0.0 2.0" id="1" type="z-cylinder"/>
-    <surface coeffs="-2.0" id="2" type="z-plane"/>
-    <surface coeffs="2.0" id="3" type="z-plane"/>
-    <surface coeffs="-3.0" id="4" type="x-plane"/>
-    <surface coeffs="3.0" id="5" type="x-plane"/>
-    <surface coeffs="-3.0" id="6" type="y-plane"/>
-    <surface coeffs="3.0" id="7" type="y-plane"/>
-    <surface coeffs="-3.0" id="8" type="z-plane"/>
-    <surface coeffs="3.0" id="9" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="-4.0" id="10" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="4.0" id="11" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="-4.0" id="12" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="4.0" id="13" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="-4.0" id="14" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="4.0" id="15" type="z-plane"/>
+    <surface id="1" type="z-cylinder" coeffs="0.0 0.0 2.0"/>
+    <surface id="2" type="z-plane" coeffs="-2.0"/>
+    <surface id="3" type="z-plane" coeffs="2.0"/>
+    <surface id="4" type="x-plane" coeffs="-3.0"/>
+    <surface id="5" type="x-plane" coeffs="3.0"/>
+    <surface id="6" type="y-plane" coeffs="-3.0"/>
+    <surface id="7" type="y-plane" coeffs="3.0"/>
+    <surface id="8" type="z-plane" coeffs="-3.0"/>
+    <surface id="9" type="z-plane" coeffs="3.0"/>
+    <surface id="10" type="x-plane" boundary="vacuum" coeffs="-4.0"/>
+    <surface id="11" type="x-plane" boundary="vacuum" coeffs="4.0"/>
+    <surface id="12" type="y-plane" boundary="vacuum" coeffs="-4.0"/>
+    <surface id="13" type="y-plane" boundary="vacuum" coeffs="4.0"/>
+    <surface id="14" type="z-plane" boundary="vacuum" coeffs="-4.0"/>
+    <surface id="15" type="z-plane" boundary="vacuum" coeffs="4.0"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
     <particles>100</particles>
     <batches>5</batches>
     <inactive>1</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
       </space>
diff --git a/tests/regression_tests/surface_source_write/case-08/inputs_true.dat b/tests/regression_tests/surface_source_write/case-08/inputs_true.dat
index b87e2b207..ecf3a6a2e 100644
--- a/tests/regression_tests/surface_source_write/case-08/inputs_true.dat
+++ b/tests/regression_tests/surface_source_write/case-08/inputs_true.dat
@@ -1,47 +1,47 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1">
-      <density units="g/cm3" value="11.0"/>
-      <nuclide ao="0.0004524" name="U234"/>
-      <nuclide ao="0.0506068" name="U235"/>
-      <nuclide ao="0.948709" name="U238"/>
-      <nuclide ao="0.0002318" name="U236"/>
-      <nuclide ao="2.0" name="O16"/>
+    <material id="1" depletable="true">
+      <density value="11.0" units="g/cm3"/>
+      <nuclide name="U234" ao="0.0004524"/>
+      <nuclide name="U235" ao="0.0506068"/>
+      <nuclide name="U238" ao="0.948709"/>
+      <nuclide name="U236" ao="0.0002318"/>
+      <nuclide name="O16" ao="2.0"/>
     </material>
     <material id="2">
-      <density units="g/cm3" value="1.0"/>
-      <nuclide ao="2.0" name="H1"/>
-      <nuclide ao="1.0" name="O16"/>
+      <density value="1.0" units="g/cm3"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
     </material>
   </materials>
   <geometry>
     <cell id="1" material="1" region="-1 2 -3" universe="1"/>
     <cell id="2" material="2" region="1 | -2 | 3" universe="1"/>
-    <cell fill="1" id="3" region="-5 4 -7 6 -9 8" universe="2"/>
+    <cell id="3" fill="1" region="-5 4 -7 6 -9 8" universe="2"/>
     <cell id="4" material="2" region="-11 10 -13 12 -15 14 (5 | -4 | 7 | -6 | 9 | -8)" universe="2"/>
-    <surface coeffs="0.0 0.0 2.0" id="1" type="z-cylinder"/>
-    <surface coeffs="-2.0" id="2" type="z-plane"/>
-    <surface coeffs="2.0" id="3" type="z-plane"/>
-    <surface coeffs="-3.0" id="4" type="x-plane"/>
-    <surface coeffs="3.0" id="5" type="x-plane"/>
-    <surface coeffs="-3.0" id="6" type="y-plane"/>
-    <surface coeffs="3.0" id="7" type="y-plane"/>
-    <surface coeffs="-3.0" id="8" type="z-plane"/>
-    <surface coeffs="3.0" id="9" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="-4.0" id="10" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="4.0" id="11" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="-4.0" id="12" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="4.0" id="13" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="-4.0" id="14" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="4.0" id="15" type="z-plane"/>
+    <surface id="1" type="z-cylinder" coeffs="0.0 0.0 2.0"/>
+    <surface id="2" type="z-plane" coeffs="-2.0"/>
+    <surface id="3" type="z-plane" coeffs="2.0"/>
+    <surface id="4" type="x-plane" coeffs="-3.0"/>
+    <surface id="5" type="x-plane" coeffs="3.0"/>
+    <surface id="6" type="y-plane" coeffs="-3.0"/>
+    <surface id="7" type="y-plane" coeffs="3.0"/>
+    <surface id="8" type="z-plane" coeffs="-3.0"/>
+    <surface id="9" type="z-plane" coeffs="3.0"/>
+    <surface id="10" type="x-plane" boundary="vacuum" coeffs="-4.0"/>
+    <surface id="11" type="x-plane" boundary="vacuum" coeffs="4.0"/>
+    <surface id="12" type="y-plane" boundary="vacuum" coeffs="-4.0"/>
+    <surface id="13" type="y-plane" boundary="vacuum" coeffs="4.0"/>
+    <surface id="14" type="z-plane" boundary="vacuum" coeffs="-4.0"/>
+    <surface id="15" type="z-plane" boundary="vacuum" coeffs="4.0"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
     <particles>100</particles>
     <batches>5</batches>
     <inactive>1</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
       </space>
diff --git a/tests/regression_tests/surface_source_write/case-09/inputs_true.dat b/tests/regression_tests/surface_source_write/case-09/inputs_true.dat
index f4f6ebd87..5d60f9dbe 100644
--- a/tests/regression_tests/surface_source_write/case-09/inputs_true.dat
+++ b/tests/regression_tests/surface_source_write/case-09/inputs_true.dat
@@ -1,47 +1,47 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1">
-      <density units="g/cm3" value="11.0"/>
-      <nuclide ao="0.0004524" name="U234"/>
-      <nuclide ao="0.0506068" name="U235"/>
-      <nuclide ao="0.948709" name="U238"/>
-      <nuclide ao="0.0002318" name="U236"/>
-      <nuclide ao="2.0" name="O16"/>
+    <material id="1" depletable="true">
+      <density value="11.0" units="g/cm3"/>
+      <nuclide name="U234" ao="0.0004524"/>
+      <nuclide name="U235" ao="0.0506068"/>
+      <nuclide name="U238" ao="0.948709"/>
+      <nuclide name="U236" ao="0.0002318"/>
+      <nuclide name="O16" ao="2.0"/>
     </material>
     <material id="2">
-      <density units="g/cm3" value="1.0"/>
-      <nuclide ao="2.0" name="H1"/>
-      <nuclide ao="1.0" name="O16"/>
+      <density value="1.0" units="g/cm3"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
     </material>
   </materials>
   <geometry>
     <cell id="1" material="1" region="-1 2 -3" universe="1"/>
     <cell id="2" material="2" region="1 | -2 | 3" universe="1"/>
-    <cell fill="1" id="3" region="-5 4 -7 6 -9 8" universe="2"/>
+    <cell id="3" fill="1" region="-5 4 -7 6 -9 8" universe="2"/>
     <cell id="4" material="2" region="-11 10 -13 12 -15 14 (5 | -4 | 7 | -6 | 9 | -8)" universe="2"/>
-    <surface coeffs="0.0 0.0 2.0" id="1" type="z-cylinder"/>
-    <surface coeffs="-2.0" id="2" type="z-plane"/>
-    <surface coeffs="2.0" id="3" type="z-plane"/>
-    <surface coeffs="-3.0" id="4" type="x-plane"/>
-    <surface coeffs="3.0" id="5" type="x-plane"/>
-    <surface coeffs="-3.0" id="6" type="y-plane"/>
-    <surface coeffs="3.0" id="7" type="y-plane"/>
-    <surface coeffs="-3.0" id="8" type="z-plane"/>
-    <surface coeffs="3.0" id="9" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="-4.0" id="10" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="4.0" id="11" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="-4.0" id="12" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="4.0" id="13" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="-4.0" id="14" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="4.0" id="15" type="z-plane"/>
+    <surface id="1" type="z-cylinder" coeffs="0.0 0.0 2.0"/>
+    <surface id="2" type="z-plane" coeffs="-2.0"/>
+    <surface id="3" type="z-plane" coeffs="2.0"/>
+    <surface id="4" type="x-plane" coeffs="-3.0"/>
+    <surface id="5" type="x-plane" coeffs="3.0"/>
+    <surface id="6" type="y-plane" coeffs="-3.0"/>
+    <surface id="7" type="y-plane" coeffs="3.0"/>
+    <surface id="8" type="z-plane" coeffs="-3.0"/>
+    <surface id="9" type="z-plane" coeffs="3.0"/>
+    <surface id="10" type="x-plane" boundary="vacuum" coeffs="-4.0"/>
+    <surface id="11" type="x-plane" boundary="vacuum" coeffs="4.0"/>
+    <surface id="12" type="y-plane" boundary="vacuum" coeffs="-4.0"/>
+    <surface id="13" type="y-plane" boundary="vacuum" coeffs="4.0"/>
+    <surface id="14" type="z-plane" boundary="vacuum" coeffs="-4.0"/>
+    <surface id="15" type="z-plane" boundary="vacuum" coeffs="4.0"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
     <particles>100</particles>
     <batches>5</batches>
     <inactive>1</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
       </space>
diff --git a/tests/regression_tests/surface_source_write/case-10/inputs_true.dat b/tests/regression_tests/surface_source_write/case-10/inputs_true.dat
index 372e5c011..1940826c2 100644
--- a/tests/regression_tests/surface_source_write/case-10/inputs_true.dat
+++ b/tests/regression_tests/surface_source_write/case-10/inputs_true.dat
@@ -1,47 +1,47 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1">
-      <density units="g/cm3" value="11.0"/>
-      <nuclide ao="0.0004524" name="U234"/>
-      <nuclide ao="0.0506068" name="U235"/>
-      <nuclide ao="0.948709" name="U238"/>
-      <nuclide ao="0.0002318" name="U236"/>
-      <nuclide ao="2.0" name="O16"/>
+    <material id="1" depletable="true">
+      <density value="11.0" units="g/cm3"/>
+      <nuclide name="U234" ao="0.0004524"/>
+      <nuclide name="U235" ao="0.0506068"/>
+      <nuclide name="U238" ao="0.948709"/>
+      <nuclide name="U236" ao="0.0002318"/>
+      <nuclide name="O16" ao="2.0"/>
     </material>
     <material id="2">
-      <density units="g/cm3" value="1.0"/>
-      <nuclide ao="2.0" name="H1"/>
-      <nuclide ao="1.0" name="O16"/>
+      <density value="1.0" units="g/cm3"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
     </material>
   </materials>
   <geometry>
     <cell id="1" material="1" region="-1 2 -3" universe="1"/>
     <cell id="2" material="2" region="1 | -2 | 3" universe="1"/>
-    <cell fill="1" id="3" region="-5 4 -7 6 -9 8" universe="2"/>
+    <cell id="3" fill="1" region="-5 4 -7 6 -9 8" universe="2"/>
     <cell id="4" material="2" region="-11 10 -13 12 -15 14 (5 | -4 | 7 | -6 | 9 | -8)" universe="2"/>
-    <surface coeffs="0.0 0.0 2.0" id="1" type="z-cylinder"/>
-    <surface coeffs="-2.0" id="2" type="z-plane"/>
-    <surface coeffs="2.0" id="3" type="z-plane"/>
-    <surface coeffs="-3.0" id="4" type="x-plane"/>
-    <surface coeffs="3.0" id="5" type="x-plane"/>
-    <surface coeffs="-3.0" id="6" type="y-plane"/>
-    <surface coeffs="3.0" id="7" type="y-plane"/>
-    <surface coeffs="-3.0" id="8" type="z-plane"/>
-    <surface coeffs="3.0" id="9" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="-4.0" id="10" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="4.0" id="11" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="-4.0" id="12" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="4.0" id="13" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="-4.0" id="14" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="4.0" id="15" type="z-plane"/>
+    <surface id="1" type="z-cylinder" coeffs="0.0 0.0 2.0"/>
+    <surface id="2" type="z-plane" coeffs="-2.0"/>
+    <surface id="3" type="z-plane" coeffs="2.0"/>
+    <surface id="4" type="x-plane" coeffs="-3.0"/>
+    <surface id="5" type="x-plane" coeffs="3.0"/>
+    <surface id="6" type="y-plane" coeffs="-3.0"/>
+    <surface id="7" type="y-plane" coeffs="3.0"/>
+    <surface id="8" type="z-plane" coeffs="-3.0"/>
+    <surface id="9" type="z-plane" coeffs="3.0"/>
+    <surface id="10" type="x-plane" boundary="vacuum" coeffs="-4.0"/>
+    <surface id="11" type="x-plane" boundary="vacuum" coeffs="4.0"/>
+    <surface id="12" type="y-plane" boundary="vacuum" coeffs="-4.0"/>
+    <surface id="13" type="y-plane" boundary="vacuum" coeffs="4.0"/>
+    <surface id="14" type="z-plane" boundary="vacuum" coeffs="-4.0"/>
+    <surface id="15" type="z-plane" boundary="vacuum" coeffs="4.0"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
     <particles>100</particles>
     <batches>5</batches>
     <inactive>1</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
       </space>
diff --git a/tests/regression_tests/surface_source_write/case-11/inputs_true.dat b/tests/regression_tests/surface_source_write/case-11/inputs_true.dat
index d5401dc87..a4feff1b1 100644
--- a/tests/regression_tests/surface_source_write/case-11/inputs_true.dat
+++ b/tests/regression_tests/surface_source_write/case-11/inputs_true.dat
@@ -1,47 +1,47 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1">
-      <density units="g/cm3" value="11.0"/>
-      <nuclide ao="0.0004524" name="U234"/>
-      <nuclide ao="0.0506068" name="U235"/>
-      <nuclide ao="0.948709" name="U238"/>
-      <nuclide ao="0.0002318" name="U236"/>
-      <nuclide ao="2.0" name="O16"/>
+    <material id="1" depletable="true">
+      <density value="11.0" units="g/cm3"/>
+      <nuclide name="U234" ao="0.0004524"/>
+      <nuclide name="U235" ao="0.0506068"/>
+      <nuclide name="U238" ao="0.948709"/>
+      <nuclide name="U236" ao="0.0002318"/>
+      <nuclide name="O16" ao="2.0"/>
     </material>
     <material id="2">
-      <density units="g/cm3" value="1.0"/>
-      <nuclide ao="2.0" name="H1"/>
-      <nuclide ao="1.0" name="O16"/>
+      <density value="1.0" units="g/cm3"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
     </material>
   </materials>
   <geometry>
     <cell id="1" material="1" region="-1 2 -3" universe="1"/>
     <cell id="2" material="2" region="1 | -2 | 3" universe="1"/>
-    <cell fill="1" id="3" region="-5 4 -7 6 -9 8" universe="2"/>
+    <cell id="3" fill="1" region="-5 4 -7 6 -9 8" universe="2"/>
     <cell id="4" material="2" region="-11 10 -13 12 -15 14 (5 | -4 | 7 | -6 | 9 | -8)" universe="2"/>
-    <surface coeffs="0.0 0.0 2.0" id="1" type="z-cylinder"/>
-    <surface coeffs="-2.0" id="2" type="z-plane"/>
-    <surface coeffs="2.0" id="3" type="z-plane"/>
-    <surface coeffs="-3.0" id="4" type="x-plane"/>
-    <surface coeffs="3.0" id="5" type="x-plane"/>
-    <surface coeffs="-3.0" id="6" type="y-plane"/>
-    <surface coeffs="3.0" id="7" type="y-plane"/>
-    <surface coeffs="-3.0" id="8" type="z-plane"/>
-    <surface coeffs="3.0" id="9" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="-4.0" id="10" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="4.0" id="11" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="-4.0" id="12" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="4.0" id="13" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="-4.0" id="14" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="4.0" id="15" type="z-plane"/>
+    <surface id="1" type="z-cylinder" coeffs="0.0 0.0 2.0"/>
+    <surface id="2" type="z-plane" coeffs="-2.0"/>
+    <surface id="3" type="z-plane" coeffs="2.0"/>
+    <surface id="4" type="x-plane" coeffs="-3.0"/>
+    <surface id="5" type="x-plane" coeffs="3.0"/>
+    <surface id="6" type="y-plane" coeffs="-3.0"/>
+    <surface id="7" type="y-plane" coeffs="3.0"/>
+    <surface id="8" type="z-plane" coeffs="-3.0"/>
+    <surface id="9" type="z-plane" coeffs="3.0"/>
+    <surface id="10" type="x-plane" boundary="vacuum" coeffs="-4.0"/>
+    <surface id="11" type="x-plane" boundary="vacuum" coeffs="4.0"/>
+    <surface id="12" type="y-plane" boundary="vacuum" coeffs="-4.0"/>
+    <surface id="13" type="y-plane" boundary="vacuum" coeffs="4.0"/>
+    <surface id="14" type="z-plane" boundary="vacuum" coeffs="-4.0"/>
+    <surface id="15" type="z-plane" boundary="vacuum" coeffs="4.0"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
     <particles>100</particles>
     <batches>5</batches>
     <inactive>1</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
       </space>
diff --git a/tests/regression_tests/surface_source_write/case-12/inputs_true.dat b/tests/regression_tests/surface_source_write/case-12/inputs_true.dat
index cb8f87741..c069f425c 100644
--- a/tests/regression_tests/surface_source_write/case-12/inputs_true.dat
+++ b/tests/regression_tests/surface_source_write/case-12/inputs_true.dat
@@ -1,40 +1,40 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1">
-      <density units="g/cm3" value="11.0"/>
-      <nuclide ao="0.0004524" name="U234"/>
-      <nuclide ao="0.0506068" name="U235"/>
-      <nuclide ao="0.948709" name="U238"/>
-      <nuclide ao="0.0002318" name="U236"/>
-      <nuclide ao="2.0" name="O16"/>
+    <material id="1" depletable="true">
+      <density value="11.0" units="g/cm3"/>
+      <nuclide name="U234" ao="0.0004524"/>
+      <nuclide name="U235" ao="0.0506068"/>
+      <nuclide name="U238" ao="0.948709"/>
+      <nuclide name="U236" ao="0.0002318"/>
+      <nuclide name="O16" ao="2.0"/>
     </material>
     <material id="2">
-      <density units="g/cm3" value="1.0"/>
-      <nuclide ao="2.0" name="H1"/>
-      <nuclide ao="1.0" name="O16"/>
+      <density value="1.0" units="g/cm3"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
     </material>
   </materials>
   <geometry>
     <cell id="1" material="1" region="-1 2 -3" universe="1"/>
     <cell id="2" material="2" region="1 | -2 | 3" universe="1"/>
-    <cell fill="1" id="3" region="-5 4 -7 6 -9 8" universe="2"/>
-    <surface coeffs="0.0 0.0 2.0" id="1" type="z-cylinder"/>
-    <surface coeffs="-2.0" id="2" type="z-plane"/>
-    <surface coeffs="2.0" id="3" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="-3.0" id="4" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="3.0" id="5" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="-3.0" id="6" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="3.0" id="7" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="-3.0" id="8" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="3.0" id="9" type="z-plane"/>
+    <cell id="3" fill="1" region="-5 4 -7 6 -9 8" universe="2"/>
+    <surface id="1" type="z-cylinder" coeffs="0.0 0.0 2.0"/>
+    <surface id="2" type="z-plane" coeffs="-2.0"/>
+    <surface id="3" type="z-plane" coeffs="2.0"/>
+    <surface id="4" type="x-plane" boundary="vacuum" coeffs="-3.0"/>
+    <surface id="5" type="x-plane" boundary="vacuum" coeffs="3.0"/>
+    <surface id="6" type="y-plane" boundary="vacuum" coeffs="-3.0"/>
+    <surface id="7" type="y-plane" boundary="vacuum" coeffs="3.0"/>
+    <surface id="8" type="z-plane" boundary="vacuum" coeffs="-3.0"/>
+    <surface id="9" type="z-plane" boundary="vacuum" coeffs="3.0"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
     <particles>100</particles>
     <batches>5</batches>
     <inactive>1</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
       </space>
diff --git a/tests/regression_tests/surface_source_write/case-13/inputs_true.dat b/tests/regression_tests/surface_source_write/case-13/inputs_true.dat
index 23bbf0455..2a93fdb4d 100644
--- a/tests/regression_tests/surface_source_write/case-13/inputs_true.dat
+++ b/tests/regression_tests/surface_source_write/case-13/inputs_true.dat
@@ -1,40 +1,40 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1">
-      <density units="g/cm3" value="11.0"/>
-      <nuclide ao="0.0004524" name="U234"/>
-      <nuclide ao="0.0506068" name="U235"/>
-      <nuclide ao="0.948709" name="U238"/>
-      <nuclide ao="0.0002318" name="U236"/>
-      <nuclide ao="2.0" name="O16"/>
+    <material id="1" depletable="true">
+      <density value="11.0" units="g/cm3"/>
+      <nuclide name="U234" ao="0.0004524"/>
+      <nuclide name="U235" ao="0.0506068"/>
+      <nuclide name="U238" ao="0.948709"/>
+      <nuclide name="U236" ao="0.0002318"/>
+      <nuclide name="O16" ao="2.0"/>
     </material>
     <material id="2">
-      <density units="g/cm3" value="1.0"/>
-      <nuclide ao="2.0" name="H1"/>
-      <nuclide ao="1.0" name="O16"/>
+      <density value="1.0" units="g/cm3"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
     </material>
   </materials>
   <geometry>
     <cell id="1" material="1" region="-1 2 -3" universe="1"/>
     <cell id="2" material="2" region="1 | -2 | 3" universe="1"/>
-    <cell fill="1" id="3" region="-5 4 -7 6 -9 8" universe="2"/>
-    <surface coeffs="0.0 0.0 2.0" id="1" type="z-cylinder"/>
-    <surface coeffs="-2.0" id="2" type="z-plane"/>
-    <surface coeffs="2.0" id="3" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="-3.0" id="4" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="3.0" id="5" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="-3.0" id="6" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="3.0" id="7" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="-3.0" id="8" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="3.0" id="9" type="z-plane"/>
+    <cell id="3" fill="1" region="-5 4 -7 6 -9 8" universe="2"/>
+    <surface id="1" type="z-cylinder" coeffs="0.0 0.0 2.0"/>
+    <surface id="2" type="z-plane" coeffs="-2.0"/>
+    <surface id="3" type="z-plane" coeffs="2.0"/>
+    <surface id="4" type="x-plane" boundary="vacuum" coeffs="-3.0"/>
+    <surface id="5" type="x-plane" boundary="vacuum" coeffs="3.0"/>
+    <surface id="6" type="y-plane" boundary="vacuum" coeffs="-3.0"/>
+    <surface id="7" type="y-plane" boundary="vacuum" coeffs="3.0"/>
+    <surface id="8" type="z-plane" boundary="vacuum" coeffs="-3.0"/>
+    <surface id="9" type="z-plane" boundary="vacuum" coeffs="3.0"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
     <particles>100</particles>
     <batches>5</batches>
     <inactive>1</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
       </space>
diff --git a/tests/regression_tests/surface_source_write/case-14/inputs_true.dat b/tests/regression_tests/surface_source_write/case-14/inputs_true.dat
index 29acd94f2..893f8ddc1 100644
--- a/tests/regression_tests/surface_source_write/case-14/inputs_true.dat
+++ b/tests/regression_tests/surface_source_write/case-14/inputs_true.dat
@@ -1,40 +1,40 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1">
-      <density units="g/cm3" value="11.0"/>
-      <nuclide ao="0.0004524" name="U234"/>
-      <nuclide ao="0.0506068" name="U235"/>
-      <nuclide ao="0.948709" name="U238"/>
-      <nuclide ao="0.0002318" name="U236"/>
-      <nuclide ao="2.0" name="O16"/>
+    <material id="1" depletable="true">
+      <density value="11.0" units="g/cm3"/>
+      <nuclide name="U234" ao="0.0004524"/>
+      <nuclide name="U235" ao="0.0506068"/>
+      <nuclide name="U238" ao="0.948709"/>
+      <nuclide name="U236" ao="0.0002318"/>
+      <nuclide name="O16" ao="2.0"/>
     </material>
     <material id="2">
-      <density units="g/cm3" value="1.0"/>
-      <nuclide ao="2.0" name="H1"/>
-      <nuclide ao="1.0" name="O16"/>
+      <density value="1.0" units="g/cm3"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
     </material>
   </materials>
   <geometry>
     <cell id="1" material="1" region="-1 2 -3" universe="1"/>
     <cell id="2" material="2" region="1 | -2 | 3" universe="1"/>
-    <cell fill="1" id="3" region="-5 4 -7 6 -9 8" universe="2"/>
-    <surface coeffs="0.0 0.0 2.0" id="1" type="z-cylinder"/>
-    <surface coeffs="-2.0" id="2" type="z-plane"/>
-    <surface coeffs="2.0" id="3" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="-3.0" id="4" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="3.0" id="5" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="-3.0" id="6" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="3.0" id="7" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="-3.0" id="8" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="3.0" id="9" type="z-plane"/>
+    <cell id="3" fill="1" region="-5 4 -7 6 -9 8" universe="2"/>
+    <surface id="1" type="z-cylinder" coeffs="0.0 0.0 2.0"/>
+    <surface id="2" type="z-plane" coeffs="-2.0"/>
+    <surface id="3" type="z-plane" coeffs="2.0"/>
+    <surface id="4" type="x-plane" boundary="vacuum" coeffs="-3.0"/>
+    <surface id="5" type="x-plane" boundary="vacuum" coeffs="3.0"/>
+    <surface id="6" type="y-plane" boundary="vacuum" coeffs="-3.0"/>
+    <surface id="7" type="y-plane" boundary="vacuum" coeffs="3.0"/>
+    <surface id="8" type="z-plane" boundary="vacuum" coeffs="-3.0"/>
+    <surface id="9" type="z-plane" boundary="vacuum" coeffs="3.0"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
     <particles>100</particles>
     <batches>5</batches>
     <inactive>1</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
       </space>
diff --git a/tests/regression_tests/surface_source_write/case-15/inputs_true.dat b/tests/regression_tests/surface_source_write/case-15/inputs_true.dat
index c775f2f52..875a2fb0b 100644
--- a/tests/regression_tests/surface_source_write/case-15/inputs_true.dat
+++ b/tests/regression_tests/surface_source_write/case-15/inputs_true.dat
@@ -1,40 +1,40 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1">
-      <density units="g/cm3" value="11.0"/>
-      <nuclide ao="0.0004524" name="U234"/>
-      <nuclide ao="0.0506068" name="U235"/>
-      <nuclide ao="0.948709" name="U238"/>
-      <nuclide ao="0.0002318" name="U236"/>
-      <nuclide ao="2.0" name="O16"/>
+    <material id="1" depletable="true">
+      <density value="11.0" units="g/cm3"/>
+      <nuclide name="U234" ao="0.0004524"/>
+      <nuclide name="U235" ao="0.0506068"/>
+      <nuclide name="U238" ao="0.948709"/>
+      <nuclide name="U236" ao="0.0002318"/>
+      <nuclide name="O16" ao="2.0"/>
     </material>
     <material id="2">
-      <density units="g/cm3" value="1.0"/>
-      <nuclide ao="2.0" name="H1"/>
-      <nuclide ao="1.0" name="O16"/>
+      <density value="1.0" units="g/cm3"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
     </material>
   </materials>
   <geometry>
     <cell id="1" material="1" region="-1 2 -3" universe="1"/>
     <cell id="2" material="2" region="1 | -2 | 3" universe="1"/>
-    <cell fill="1" id="3" region="-5 4 -7 6 -9 8" universe="2"/>
-    <surface coeffs="0.0 0.0 2.0" id="1" type="z-cylinder"/>
-    <surface coeffs="-2.0" id="2" type="z-plane"/>
-    <surface coeffs="2.0" id="3" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="-3.0" id="4" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="3.0" id="5" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="-3.0" id="6" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="3.0" id="7" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="-3.0" id="8" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="3.0" id="9" type="z-plane"/>
+    <cell id="3" fill="1" region="-5 4 -7 6 -9 8" universe="2"/>
+    <surface id="1" type="z-cylinder" coeffs="0.0 0.0 2.0"/>
+    <surface id="2" type="z-plane" coeffs="-2.0"/>
+    <surface id="3" type="z-plane" coeffs="2.0"/>
+    <surface id="4" type="x-plane" boundary="vacuum" coeffs="-3.0"/>
+    <surface id="5" type="x-plane" boundary="vacuum" coeffs="3.0"/>
+    <surface id="6" type="y-plane" boundary="vacuum" coeffs="-3.0"/>
+    <surface id="7" type="y-plane" boundary="vacuum" coeffs="3.0"/>
+    <surface id="8" type="z-plane" boundary="vacuum" coeffs="-3.0"/>
+    <surface id="9" type="z-plane" boundary="vacuum" coeffs="3.0"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
     <particles>100</particles>
     <batches>5</batches>
     <inactive>1</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
       </space>
diff --git a/tests/regression_tests/surface_source_write/case-16/inputs_true.dat b/tests/regression_tests/surface_source_write/case-16/inputs_true.dat
index 969a8f31e..347855e90 100644
--- a/tests/regression_tests/surface_source_write/case-16/inputs_true.dat
+++ b/tests/regression_tests/surface_source_write/case-16/inputs_true.dat
@@ -1,40 +1,40 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1">
-      <density units="g/cm3" value="11.0"/>
-      <nuclide ao="0.0004524" name="U234"/>
-      <nuclide ao="0.0506068" name="U235"/>
-      <nuclide ao="0.948709" name="U238"/>
-      <nuclide ao="0.0002318" name="U236"/>
-      <nuclide ao="2.0" name="O16"/>
+    <material id="1" depletable="true">
+      <density value="11.0" units="g/cm3"/>
+      <nuclide name="U234" ao="0.0004524"/>
+      <nuclide name="U235" ao="0.0506068"/>
+      <nuclide name="U238" ao="0.948709"/>
+      <nuclide name="U236" ao="0.0002318"/>
+      <nuclide name="O16" ao="2.0"/>
     </material>
     <material id="2">
-      <density units="g/cm3" value="1.0"/>
-      <nuclide ao="2.0" name="H1"/>
-      <nuclide ao="1.0" name="O16"/>
+      <density value="1.0" units="g/cm3"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
     </material>
   </materials>
   <geometry>
     <cell id="1" material="1" region="-1 2 -3" universe="1"/>
     <cell id="2" material="2" region="1 | -2 | 3" universe="1"/>
-    <cell fill="1" id="3" region="-5 4 -7 6 -9 8" universe="2"/>
-    <surface coeffs="0.0 0.0 2.0" id="1" type="z-cylinder"/>
-    <surface coeffs="-2.0" id="2" type="z-plane"/>
-    <surface coeffs="2.0" id="3" type="z-plane"/>
-    <surface boundary="reflective" coeffs="-3.0" id="4" type="x-plane"/>
-    <surface boundary="reflective" coeffs="3.0" id="5" type="x-plane"/>
-    <surface boundary="reflective" coeffs="-3.0" id="6" type="y-plane"/>
-    <surface boundary="reflective" coeffs="3.0" id="7" type="y-plane"/>
-    <surface boundary="reflective" coeffs="-3.0" id="8" type="z-plane"/>
-    <surface boundary="reflective" coeffs="3.0" id="9" type="z-plane"/>
+    <cell id="3" fill="1" region="-5 4 -7 6 -9 8" universe="2"/>
+    <surface id="1" type="z-cylinder" coeffs="0.0 0.0 2.0"/>
+    <surface id="2" type="z-plane" coeffs="-2.0"/>
+    <surface id="3" type="z-plane" coeffs="2.0"/>
+    <surface id="4" type="x-plane" boundary="reflective" coeffs="-3.0"/>
+    <surface id="5" type="x-plane" boundary="reflective" coeffs="3.0"/>
+    <surface id="6" type="y-plane" boundary="reflective" coeffs="-3.0"/>
+    <surface id="7" type="y-plane" boundary="reflective" coeffs="3.0"/>
+    <surface id="8" type="z-plane" boundary="reflective" coeffs="-3.0"/>
+    <surface id="9" type="z-plane" boundary="reflective" coeffs="3.0"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
     <particles>100</particles>
     <batches>5</batches>
     <inactive>1</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
       </space>
diff --git a/tests/regression_tests/surface_source_write/case-17/inputs_true.dat b/tests/regression_tests/surface_source_write/case-17/inputs_true.dat
index 0a65db510..95d0a6712 100644
--- a/tests/regression_tests/surface_source_write/case-17/inputs_true.dat
+++ b/tests/regression_tests/surface_source_write/case-17/inputs_true.dat
@@ -1,40 +1,40 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1">
-      <density units="g/cm3" value="11.0"/>
-      <nuclide ao="0.0004524" name="U234"/>
-      <nuclide ao="0.0506068" name="U235"/>
-      <nuclide ao="0.948709" name="U238"/>
-      <nuclide ao="0.0002318" name="U236"/>
-      <nuclide ao="2.0" name="O16"/>
+    <material id="1" depletable="true">
+      <density value="11.0" units="g/cm3"/>
+      <nuclide name="U234" ao="0.0004524"/>
+      <nuclide name="U235" ao="0.0506068"/>
+      <nuclide name="U238" ao="0.948709"/>
+      <nuclide name="U236" ao="0.0002318"/>
+      <nuclide name="O16" ao="2.0"/>
     </material>
     <material id="2">
-      <density units="g/cm3" value="1.0"/>
-      <nuclide ao="2.0" name="H1"/>
-      <nuclide ao="1.0" name="O16"/>
+      <density value="1.0" units="g/cm3"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
     </material>
   </materials>
   <geometry>
     <cell id="1" material="1" region="-1 2 -3" universe="1"/>
     <cell id="2" material="2" region="1 | -2 | 3" universe="1"/>
-    <cell fill="1" id="3" region="-5 4 -7 6 -9 8" universe="2"/>
-    <surface coeffs="0.0 0.0 2.0" id="1" type="z-cylinder"/>
-    <surface coeffs="-2.0" id="2" type="z-plane"/>
-    <surface coeffs="2.0" id="3" type="z-plane"/>
-    <surface boundary="reflective" coeffs="-3.0" id="4" type="x-plane"/>
-    <surface boundary="reflective" coeffs="3.0" id="5" type="x-plane"/>
-    <surface boundary="reflective" coeffs="-3.0" id="6" type="y-plane"/>
-    <surface boundary="reflective" coeffs="3.0" id="7" type="y-plane"/>
-    <surface boundary="reflective" coeffs="-3.0" id="8" type="z-plane"/>
-    <surface boundary="reflective" coeffs="3.0" id="9" type="z-plane"/>
+    <cell id="3" fill="1" region="-5 4 -7 6 -9 8" universe="2"/>
+    <surface id="1" type="z-cylinder" coeffs="0.0 0.0 2.0"/>
+    <surface id="2" type="z-plane" coeffs="-2.0"/>
+    <surface id="3" type="z-plane" coeffs="2.0"/>
+    <surface id="4" type="x-plane" boundary="reflective" coeffs="-3.0"/>
+    <surface id="5" type="x-plane" boundary="reflective" coeffs="3.0"/>
+    <surface id="6" type="y-plane" boundary="reflective" coeffs="-3.0"/>
+    <surface id="7" type="y-plane" boundary="reflective" coeffs="3.0"/>
+    <surface id="8" type="z-plane" boundary="reflective" coeffs="-3.0"/>
+    <surface id="9" type="z-plane" boundary="reflective" coeffs="3.0"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
     <particles>100</particles>
     <batches>5</batches>
     <inactive>1</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
       </space>
diff --git a/tests/regression_tests/surface_source_write/case-18/inputs_true.dat b/tests/regression_tests/surface_source_write/case-18/inputs_true.dat
index 89df27b47..807c72ae6 100644
--- a/tests/regression_tests/surface_source_write/case-18/inputs_true.dat
+++ b/tests/regression_tests/surface_source_write/case-18/inputs_true.dat
@@ -1,40 +1,40 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1">
-      <density units="g/cm3" value="11.0"/>
-      <nuclide ao="0.0004524" name="U234"/>
-      <nuclide ao="0.0506068" name="U235"/>
-      <nuclide ao="0.948709" name="U238"/>
-      <nuclide ao="0.0002318" name="U236"/>
-      <nuclide ao="2.0" name="O16"/>
+    <material id="1" depletable="true">
+      <density value="11.0" units="g/cm3"/>
+      <nuclide name="U234" ao="0.0004524"/>
+      <nuclide name="U235" ao="0.0506068"/>
+      <nuclide name="U238" ao="0.948709"/>
+      <nuclide name="U236" ao="0.0002318"/>
+      <nuclide name="O16" ao="2.0"/>
     </material>
     <material id="2">
-      <density units="g/cm3" value="1.0"/>
-      <nuclide ao="2.0" name="H1"/>
-      <nuclide ao="1.0" name="O16"/>
+      <density value="1.0" units="g/cm3"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
     </material>
   </materials>
   <geometry>
     <cell id="1" material="1" region="-1 2 -3" universe="1"/>
     <cell id="2" material="2" region="1 | -2 | 3" universe="1"/>
-    <cell fill="1" id="3" region="-5 4 -7 6 -9 8" universe="2"/>
-    <surface coeffs="0.0 0.0 2.0" id="1" type="z-cylinder"/>
-    <surface coeffs="-2.0" id="2" type="z-plane"/>
-    <surface coeffs="2.0" id="3" type="z-plane"/>
-    <surface boundary="reflective" coeffs="-3.0" id="4" type="x-plane"/>
-    <surface boundary="reflective" coeffs="3.0" id="5" type="x-plane"/>
-    <surface boundary="reflective" coeffs="-3.0" id="6" type="y-plane"/>
-    <surface boundary="reflective" coeffs="3.0" id="7" type="y-plane"/>
-    <surface boundary="reflective" coeffs="-3.0" id="8" type="z-plane"/>
-    <surface boundary="reflective" coeffs="3.0" id="9" type="z-plane"/>
+    <cell id="3" fill="1" region="-5 4 -7 6 -9 8" universe="2"/>
+    <surface id="1" type="z-cylinder" coeffs="0.0 0.0 2.0"/>
+    <surface id="2" type="z-plane" coeffs="-2.0"/>
+    <surface id="3" type="z-plane" coeffs="2.0"/>
+    <surface id="4" type="x-plane" boundary="reflective" coeffs="-3.0"/>
+    <surface id="5" type="x-plane" boundary="reflective" coeffs="3.0"/>
+    <surface id="6" type="y-plane" boundary="reflective" coeffs="-3.0"/>
+    <surface id="7" type="y-plane" boundary="reflective" coeffs="3.0"/>
+    <surface id="8" type="z-plane" boundary="reflective" coeffs="-3.0"/>
+    <surface id="9" type="z-plane" boundary="reflective" coeffs="3.0"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
     <particles>100</particles>
     <batches>5</batches>
     <inactive>1</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
       </space>
diff --git a/tests/regression_tests/surface_source_write/case-19/inputs_true.dat b/tests/regression_tests/surface_source_write/case-19/inputs_true.dat
index 3ea7dbffe..42aa78a09 100644
--- a/tests/regression_tests/surface_source_write/case-19/inputs_true.dat
+++ b/tests/regression_tests/surface_source_write/case-19/inputs_true.dat
@@ -1,40 +1,40 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1">
-      <density units="g/cm3" value="11.0"/>
-      <nuclide ao="0.0004524" name="U234"/>
-      <nuclide ao="0.0506068" name="U235"/>
-      <nuclide ao="0.948709" name="U238"/>
-      <nuclide ao="0.0002318" name="U236"/>
-      <nuclide ao="2.0" name="O16"/>
+    <material id="1" depletable="true">
+      <density value="11.0" units="g/cm3"/>
+      <nuclide name="U234" ao="0.0004524"/>
+      <nuclide name="U235" ao="0.0506068"/>
+      <nuclide name="U238" ao="0.948709"/>
+      <nuclide name="U236" ao="0.0002318"/>
+      <nuclide name="O16" ao="2.0"/>
     </material>
     <material id="2">
-      <density units="g/cm3" value="1.0"/>
-      <nuclide ao="2.0" name="H1"/>
-      <nuclide ao="1.0" name="O16"/>
+      <density value="1.0" units="g/cm3"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
     </material>
   </materials>
   <geometry>
     <cell id="1" material="1" region="-1 2 -3" universe="1"/>
     <cell id="2" material="2" region="1 | -2 | 3" universe="1"/>
-    <cell fill="1" id="3" region="-5 4 -7 6 -9 8" universe="2"/>
-    <surface coeffs="0.0 0.0 2.0" id="1" type="z-cylinder"/>
-    <surface coeffs="-2.0" id="2" type="z-plane"/>
-    <surface coeffs="2.0" id="3" type="z-plane"/>
-    <surface boundary="reflective" coeffs="-3.0" id="4" type="x-plane"/>
-    <surface boundary="reflective" coeffs="3.0" id="5" type="x-plane"/>
-    <surface boundary="reflective" coeffs="-3.0" id="6" type="y-plane"/>
-    <surface boundary="reflective" coeffs="3.0" id="7" type="y-plane"/>
-    <surface boundary="reflective" coeffs="-3.0" id="8" type="z-plane"/>
-    <surface boundary="reflective" coeffs="3.0" id="9" type="z-plane"/>
+    <cell id="3" fill="1" region="-5 4 -7 6 -9 8" universe="2"/>
+    <surface id="1" type="z-cylinder" coeffs="0.0 0.0 2.0"/>
+    <surface id="2" type="z-plane" coeffs="-2.0"/>
+    <surface id="3" type="z-plane" coeffs="2.0"/>
+    <surface id="4" type="x-plane" boundary="reflective" coeffs="-3.0"/>
+    <surface id="5" type="x-plane" boundary="reflective" coeffs="3.0"/>
+    <surface id="6" type="y-plane" boundary="reflective" coeffs="-3.0"/>
+    <surface id="7" type="y-plane" boundary="reflective" coeffs="3.0"/>
+    <surface id="8" type="z-plane" boundary="reflective" coeffs="-3.0"/>
+    <surface id="9" type="z-plane" boundary="reflective" coeffs="3.0"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
     <particles>100</particles>
     <batches>5</batches>
     <inactive>1</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
       </space>
diff --git a/tests/regression_tests/surface_source_write/case-20/inputs_true.dat b/tests/regression_tests/surface_source_write/case-20/inputs_true.dat
index c3c768a3d..4c7a3f11d 100644
--- a/tests/regression_tests/surface_source_write/case-20/inputs_true.dat
+++ b/tests/regression_tests/surface_source_write/case-20/inputs_true.dat
@@ -1,40 +1,40 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1">
-      <density units="g/cm3" value="11.0"/>
-      <nuclide ao="0.0004524" name="U234"/>
-      <nuclide ao="0.0506068" name="U235"/>
-      <nuclide ao="0.948709" name="U238"/>
-      <nuclide ao="0.0002318" name="U236"/>
-      <nuclide ao="2.0" name="O16"/>
+    <material id="1" depletable="true">
+      <density value="11.0" units="g/cm3"/>
+      <nuclide name="U234" ao="0.0004524"/>
+      <nuclide name="U235" ao="0.0506068"/>
+      <nuclide name="U238" ao="0.948709"/>
+      <nuclide name="U236" ao="0.0002318"/>
+      <nuclide name="O16" ao="2.0"/>
     </material>
     <material id="2">
-      <density units="g/cm3" value="1.0"/>
-      <nuclide ao="2.0" name="H1"/>
-      <nuclide ao="1.0" name="O16"/>
+      <density value="1.0" units="g/cm3"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
     </material>
   </materials>
   <geometry>
     <cell id="1" material="1" region="-1 2 -3" universe="1"/>
     <cell id="2" material="2" region="1 | -2 | 3" universe="1"/>
-    <cell fill="1" id="3" region="4 -5 6 -7 8 -9" universe="2"/>
-    <surface coeffs="0.0 0.0 2.0" id="1" type="z-cylinder"/>
-    <surface coeffs="-2.0" id="2" type="z-plane"/>
-    <surface coeffs="2.0" id="3" type="z-plane"/>
-    <surface boundary="periodic" coeffs="-3.0" id="4" type="z-plane"/>
-    <surface boundary="periodic" coeffs="3.0" id="5" type="z-plane"/>
-    <surface boundary="reflective" coeffs="-3.0" id="6" type="x-plane"/>
-    <surface boundary="reflective" coeffs="3.0" id="7" type="x-plane"/>
-    <surface boundary="reflective" coeffs="-3.0" id="8" type="y-plane"/>
-    <surface boundary="reflective" coeffs="3.0" id="9" type="y-plane"/>
+    <cell id="3" fill="1" region="4 -5 6 -7 8 -9" universe="2"/>
+    <surface id="1" type="z-cylinder" coeffs="0.0 0.0 2.0"/>
+    <surface id="2" type="z-plane" coeffs="-2.0"/>
+    <surface id="3" type="z-plane" coeffs="2.0"/>
+    <surface id="4" type="z-plane" boundary="periodic" coeffs="-3.0"/>
+    <surface id="5" type="z-plane" boundary="periodic" coeffs="3.0"/>
+    <surface id="6" type="x-plane" boundary="reflective" coeffs="-3.0"/>
+    <surface id="7" type="x-plane" boundary="reflective" coeffs="3.0"/>
+    <surface id="8" type="y-plane" boundary="reflective" coeffs="-3.0"/>
+    <surface id="9" type="y-plane" boundary="reflective" coeffs="3.0"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
     <particles>100</particles>
     <batches>5</batches>
     <inactive>1</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
       </space>
diff --git a/tests/regression_tests/surface_source_write/case-21/inputs_true.dat b/tests/regression_tests/surface_source_write/case-21/inputs_true.dat
index 5dae8374d..71f9aae6a 100644
--- a/tests/regression_tests/surface_source_write/case-21/inputs_true.dat
+++ b/tests/regression_tests/surface_source_write/case-21/inputs_true.dat
@@ -1,40 +1,40 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1">
-      <density units="g/cm3" value="11.0"/>
-      <nuclide ao="0.0004524" name="U234"/>
-      <nuclide ao="0.0506068" name="U235"/>
-      <nuclide ao="0.948709" name="U238"/>
-      <nuclide ao="0.0002318" name="U236"/>
-      <nuclide ao="2.0" name="O16"/>
+    <material id="1" depletable="true">
+      <density value="11.0" units="g/cm3"/>
+      <nuclide name="U234" ao="0.0004524"/>
+      <nuclide name="U235" ao="0.0506068"/>
+      <nuclide name="U238" ao="0.948709"/>
+      <nuclide name="U236" ao="0.0002318"/>
+      <nuclide name="O16" ao="2.0"/>
     </material>
     <material id="2">
-      <density units="g/cm3" value="1.0"/>
-      <nuclide ao="2.0" name="H1"/>
-      <nuclide ao="1.0" name="O16"/>
+      <density value="1.0" units="g/cm3"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
     </material>
   </materials>
   <geometry>
     <cell id="1" material="1" region="-1 2 -3" universe="1"/>
     <cell id="2" material="2" region="1 | -2 | 3" universe="1"/>
-    <cell fill="1" id="3" region="4 -5 6 -7 8 -9" universe="2"/>
-    <surface coeffs="0.0 0.0 2.0" id="1" type="z-cylinder"/>
-    <surface coeffs="-2.0" id="2" type="z-plane"/>
-    <surface coeffs="2.0" id="3" type="z-plane"/>
-    <surface boundary="periodic" coeffs="-3.0" id="4" type="z-plane"/>
-    <surface boundary="periodic" coeffs="3.0" id="5" type="z-plane"/>
-    <surface boundary="reflective" coeffs="-3.0" id="6" type="x-plane"/>
-    <surface boundary="reflective" coeffs="3.0" id="7" type="x-plane"/>
-    <surface boundary="reflective" coeffs="-3.0" id="8" type="y-plane"/>
-    <surface boundary="reflective" coeffs="3.0" id="9" type="y-plane"/>
+    <cell id="3" fill="1" region="4 -5 6 -7 8 -9" universe="2"/>
+    <surface id="1" type="z-cylinder" coeffs="0.0 0.0 2.0"/>
+    <surface id="2" type="z-plane" coeffs="-2.0"/>
+    <surface id="3" type="z-plane" coeffs="2.0"/>
+    <surface id="4" type="z-plane" boundary="periodic" coeffs="-3.0"/>
+    <surface id="5" type="z-plane" boundary="periodic" coeffs="3.0"/>
+    <surface id="6" type="x-plane" boundary="reflective" coeffs="-3.0"/>
+    <surface id="7" type="x-plane" boundary="reflective" coeffs="3.0"/>
+    <surface id="8" type="y-plane" boundary="reflective" coeffs="-3.0"/>
+    <surface id="9" type="y-plane" boundary="reflective" coeffs="3.0"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
     <particles>100</particles>
     <batches>5</batches>
     <inactive>1</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
       </space>
diff --git a/tests/regression_tests/surface_source_write/case-a01/inputs_true.dat b/tests/regression_tests/surface_source_write/case-a01/inputs_true.dat
index 5cec1b76f..e9840be87 100644
--- a/tests/regression_tests/surface_source_write/case-a01/inputs_true.dat
+++ b/tests/regression_tests/surface_source_write/case-a01/inputs_true.dat
@@ -1,47 +1,47 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1">
-      <density units="g/cm3" value="11.0"/>
-      <nuclide ao="0.0004524" name="U234"/>
-      <nuclide ao="0.0506068" name="U235"/>
-      <nuclide ao="0.948709" name="U238"/>
-      <nuclide ao="0.0002318" name="U236"/>
-      <nuclide ao="2.0" name="O16"/>
+    <material id="1" depletable="true">
+      <density value="11.0" units="g/cm3"/>
+      <nuclide name="U234" ao="0.0004524"/>
+      <nuclide name="U235" ao="0.0506068"/>
+      <nuclide name="U238" ao="0.948709"/>
+      <nuclide name="U236" ao="0.0002318"/>
+      <nuclide name="O16" ao="2.0"/>
     </material>
     <material id="2">
-      <density units="g/cm3" value="1.0"/>
-      <nuclide ao="2.0" name="H1"/>
-      <nuclide ao="1.0" name="O16"/>
+      <density value="1.0" units="g/cm3"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
     </material>
   </materials>
   <geometry>
     <cell id="1" material="1" region="-1 2 -3" universe="1"/>
     <cell id="2" material="2" region="1 | -2 | 3" universe="1"/>
-    <cell fill="1" id="3" region="-5 4 -7 6 -9 8" universe="2"/>
+    <cell id="3" fill="1" region="-5 4 -7 6 -9 8" universe="2"/>
     <cell id="4" material="2" region="-11 10 -13 12 -15 14 (5 | -4 | 7 | -6 | 9 | -8)" universe="2"/>
-    <surface coeffs="0.0 0.0 2.0" id="1" type="z-cylinder"/>
-    <surface coeffs="-2.0" id="2" type="z-plane"/>
-    <surface coeffs="2.0" id="3" type="z-plane"/>
-    <surface coeffs="-3.0" id="4" type="x-plane"/>
-    <surface coeffs="3.0" id="5" type="x-plane"/>
-    <surface coeffs="-3.0" id="6" type="y-plane"/>
-    <surface coeffs="3.0" id="7" type="y-plane"/>
-    <surface coeffs="-3.0" id="8" type="z-plane"/>
-    <surface coeffs="3.0" id="9" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="-4.0" id="10" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="4.0" id="11" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="-4.0" id="12" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="4.0" id="13" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="-4.0" id="14" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="4.0" id="15" type="z-plane"/>
+    <surface id="1" type="z-cylinder" coeffs="0.0 0.0 2.0"/>
+    <surface id="2" type="z-plane" coeffs="-2.0"/>
+    <surface id="3" type="z-plane" coeffs="2.0"/>
+    <surface id="4" type="x-plane" coeffs="-3.0"/>
+    <surface id="5" type="x-plane" coeffs="3.0"/>
+    <surface id="6" type="y-plane" coeffs="-3.0"/>
+    <surface id="7" type="y-plane" coeffs="3.0"/>
+    <surface id="8" type="z-plane" coeffs="-3.0"/>
+    <surface id="9" type="z-plane" coeffs="3.0"/>
+    <surface id="10" type="x-plane" boundary="vacuum" coeffs="-4.0"/>
+    <surface id="11" type="x-plane" boundary="vacuum" coeffs="4.0"/>
+    <surface id="12" type="y-plane" boundary="vacuum" coeffs="-4.0"/>
+    <surface id="13" type="y-plane" boundary="vacuum" coeffs="4.0"/>
+    <surface id="14" type="z-plane" boundary="vacuum" coeffs="-4.0"/>
+    <surface id="15" type="z-plane" boundary="vacuum" coeffs="4.0"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
     <particles>100</particles>
     <batches>5</batches>
     <inactive>1</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
       </space>
diff --git a/tests/regression_tests/surface_source_write/case-d01/inputs_true.dat b/tests/regression_tests/surface_source_write/case-d01/inputs_true.dat
index b5452080c..04703acfe 100644
--- a/tests/regression_tests/surface_source_write/case-d01/inputs_true.dat
+++ b/tests/regression_tests/surface_source_write/case-d01/inputs_true.dat
@@ -1,26 +1,26 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="40" name="no-void fuel">
-      <density units="g/cc" value="11"/>
-      <nuclide ao="1.0" name="U235"/>
+    <material id="40" name="no-void fuel" depletable="true">
+      <density value="11" units="g/cc"/>
+      <nuclide name="U235" ao="1.0"/>
     </material>
     <material id="41" name="water">
-      <density units="g/cc" value="1.0"/>
-      <nuclide ao="2.0" name="H1"/>
-      <nuclide ao="1.0" name="O16"/>
+      <density value="1.0" units="g/cc"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
       <sab name="c_H_in_H2O"/>
     </material>
   </materials>
   <geometry>
-    <dagmc_universe filename="../../dagmc/legacy/dagmc.h5m" id="1"/>
+    <dagmc_universe id="1" filename="../../dagmc/legacy/dagmc.h5m"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
     <particles>100</particles>
     <batches>5</batches>
     <inactive>1</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>-4 -4 -20 4 4 20</parameters>
       </space>
diff --git a/tests/regression_tests/surface_source_write/case-d02/inputs_true.dat b/tests/regression_tests/surface_source_write/case-d02/inputs_true.dat
index d6ca4143c..d8b4e6803 100644
--- a/tests/regression_tests/surface_source_write/case-d02/inputs_true.dat
+++ b/tests/regression_tests/surface_source_write/case-d02/inputs_true.dat
@@ -1,26 +1,26 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="40" name="no-void fuel">
-      <density units="g/cc" value="11"/>
-      <nuclide ao="1.0" name="U235"/>
+    <material id="40" name="no-void fuel" depletable="true">
+      <density value="11" units="g/cc"/>
+      <nuclide name="U235" ao="1.0"/>
     </material>
     <material id="41" name="water">
-      <density units="g/cc" value="1.0"/>
-      <nuclide ao="2.0" name="H1"/>
-      <nuclide ao="1.0" name="O16"/>
+      <density value="1.0" units="g/cc"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
       <sab name="c_H_in_H2O"/>
     </material>
   </materials>
   <geometry>
-    <dagmc_universe filename="../../dagmc/legacy/dagmc.h5m" id="1"/>
+    <dagmc_universe id="1" filename="../../dagmc/legacy/dagmc.h5m"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
     <particles>100</particles>
     <batches>5</batches>
     <inactive>1</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>-4 -4 -20 4 4 20</parameters>
       </space>
diff --git a/tests/regression_tests/surface_source_write/case-d03/inputs_true.dat b/tests/regression_tests/surface_source_write/case-d03/inputs_true.dat
index ba326c978..d769184aa 100644
--- a/tests/regression_tests/surface_source_write/case-d03/inputs_true.dat
+++ b/tests/regression_tests/surface_source_write/case-d03/inputs_true.dat
@@ -1,26 +1,26 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="40" name="no-void fuel">
-      <density units="g/cc" value="11"/>
-      <nuclide ao="1.0" name="U235"/>
+    <material id="40" name="no-void fuel" depletable="true">
+      <density value="11" units="g/cc"/>
+      <nuclide name="U235" ao="1.0"/>
     </material>
     <material id="41" name="water">
-      <density units="g/cc" value="1.0"/>
-      <nuclide ao="2.0" name="H1"/>
-      <nuclide ao="1.0" name="O16"/>
+      <density value="1.0" units="g/cc"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
       <sab name="c_H_in_H2O"/>
     </material>
   </materials>
   <geometry>
-    <dagmc_universe filename="../../dagmc/legacy/dagmc.h5m" id="1"/>
+    <dagmc_universe id="1" filename="../../dagmc/legacy/dagmc.h5m"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
     <particles>100</particles>
     <batches>5</batches>
     <inactive>1</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>-4 -4 -20 4 4 20</parameters>
       </space>
diff --git a/tests/regression_tests/surface_source_write/case-d04/inputs_true.dat b/tests/regression_tests/surface_source_write/case-d04/inputs_true.dat
index c309dd155..abefc2692 100644
--- a/tests/regression_tests/surface_source_write/case-d04/inputs_true.dat
+++ b/tests/regression_tests/surface_source_write/case-d04/inputs_true.dat
@@ -1,26 +1,26 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="40" name="no-void fuel">
-      <density units="g/cc" value="11"/>
-      <nuclide ao="1.0" name="U235"/>
+    <material id="40" name="no-void fuel" depletable="true">
+      <density value="11" units="g/cc"/>
+      <nuclide name="U235" ao="1.0"/>
     </material>
     <material id="41" name="water">
-      <density units="g/cc" value="1.0"/>
-      <nuclide ao="2.0" name="H1"/>
-      <nuclide ao="1.0" name="O16"/>
+      <density value="1.0" units="g/cc"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
       <sab name="c_H_in_H2O"/>
     </material>
   </materials>
   <geometry>
-    <dagmc_universe filename="../../dagmc/legacy/dagmc.h5m" id="1"/>
+    <dagmc_universe id="1" filename="../../dagmc/legacy/dagmc.h5m"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
     <particles>100</particles>
     <batches>5</batches>
     <inactive>1</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>-4 -4 -20 4 4 20</parameters>
       </space>
diff --git a/tests/regression_tests/surface_source_write/case-d05/inputs_true.dat b/tests/regression_tests/surface_source_write/case-d05/inputs_true.dat
index c49703f83..8b46b2b4e 100644
--- a/tests/regression_tests/surface_source_write/case-d05/inputs_true.dat
+++ b/tests/regression_tests/surface_source_write/case-d05/inputs_true.dat
@@ -1,26 +1,26 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="40" name="no-void fuel">
-      <density units="g/cc" value="11"/>
-      <nuclide ao="1.0" name="U235"/>
+    <material id="40" name="no-void fuel" depletable="true">
+      <density value="11" units="g/cc"/>
+      <nuclide name="U235" ao="1.0"/>
     </material>
     <material id="41" name="water">
-      <density units="g/cc" value="1.0"/>
-      <nuclide ao="2.0" name="H1"/>
-      <nuclide ao="1.0" name="O16"/>
+      <density value="1.0" units="g/cc"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
       <sab name="c_H_in_H2O"/>
     </material>
   </materials>
   <geometry>
-    <dagmc_universe filename="../../dagmc/legacy/dagmc.h5m" id="1"/>
+    <dagmc_universe id="1" filename="../../dagmc/legacy/dagmc.h5m"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
     <particles>100</particles>
     <batches>5</batches>
     <inactive>1</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>-4 -4 -20 4 4 20</parameters>
       </space>
diff --git a/tests/regression_tests/surface_source_write/case-d06/inputs_true.dat b/tests/regression_tests/surface_source_write/case-d06/inputs_true.dat
index 48db2c30d..ca52cf455 100644
--- a/tests/regression_tests/surface_source_write/case-d06/inputs_true.dat
+++ b/tests/regression_tests/surface_source_write/case-d06/inputs_true.dat
@@ -1,26 +1,26 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="40" name="no-void fuel">
-      <density units="g/cc" value="11"/>
-      <nuclide ao="1.0" name="U235"/>
+    <material id="40" name="no-void fuel" depletable="true">
+      <density value="11" units="g/cc"/>
+      <nuclide name="U235" ao="1.0"/>
     </material>
     <material id="41" name="water">
-      <density units="g/cc" value="1.0"/>
-      <nuclide ao="2.0" name="H1"/>
-      <nuclide ao="1.0" name="O16"/>
+      <density value="1.0" units="g/cc"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
       <sab name="c_H_in_H2O"/>
     </material>
   </materials>
   <geometry>
-    <dagmc_universe filename="../../dagmc/legacy/dagmc.h5m" id="1"/>
+    <dagmc_universe id="1" filename="../../dagmc/legacy/dagmc.h5m"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
     <particles>100</particles>
     <batches>5</batches>
     <inactive>1</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>-4 -4 -20 4 4 20</parameters>
       </space>
diff --git a/tests/regression_tests/surface_source_write/case-d07/inputs_true.dat b/tests/regression_tests/surface_source_write/case-d07/inputs_true.dat
index e2897125b..40c439fe6 100644
--- a/tests/regression_tests/surface_source_write/case-d07/inputs_true.dat
+++ b/tests/regression_tests/surface_source_write/case-d07/inputs_true.dat
@@ -1,40 +1,40 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="40" name="no-void fuel">
-      <density units="g/cc" value="11"/>
-      <nuclide ao="1.0" name="U235"/>
+    <material id="40" name="no-void fuel" depletable="true">
+      <density value="11" units="g/cc"/>
+      <nuclide name="U235" ao="1.0"/>
     </material>
     <material id="41" name="water">
-      <density units="g/cc" value="1.0"/>
-      <nuclide ao="2.0" name="H1"/>
-      <nuclide ao="1.0" name="O16"/>
+      <density value="1.0" units="g/cc"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
       <sab name="c_H_in_H2O"/>
     </material>
   </materials>
   <geometry>
-    <cell fill="1" id="8" region="101 -102 103 -104 105 -106" universe="2"/>
+    <cell id="8" fill="1" region="101 -102 103 -104 105 -106" universe="2"/>
     <cell id="9" material="41" region="107 -108 109 -110 111 -112 (-101 | 102 | -103 | 104 | -105 | 106)" universe="2"/>
-    <dagmc_universe filename="../../dagmc/legacy/dagmc.h5m" id="1"/>
-    <surface coeffs="-22.0" id="101" type="z-plane"/>
-    <surface coeffs="22.0" id="102" type="z-plane"/>
-    <surface coeffs="-22.0" id="103" type="x-plane"/>
-    <surface coeffs="22.0" id="104" type="x-plane"/>
-    <surface coeffs="-22.0" id="105" type="y-plane"/>
-    <surface coeffs="22.0" id="106" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="-24.0" id="107" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="24.0" id="108" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="-24.0" id="109" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="24.0" id="110" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="-24.0" id="111" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="24.0" id="112" type="y-plane"/>
+    <dagmc_universe id="1" filename="../../dagmc/legacy/dagmc.h5m"/>
+    <surface id="101" type="z-plane" coeffs="-22.0"/>
+    <surface id="102" type="z-plane" coeffs="22.0"/>
+    <surface id="103" type="x-plane" coeffs="-22.0"/>
+    <surface id="104" type="x-plane" coeffs="22.0"/>
+    <surface id="105" type="y-plane" coeffs="-22.0"/>
+    <surface id="106" type="y-plane" coeffs="22.0"/>
+    <surface id="107" type="z-plane" boundary="vacuum" coeffs="-24.0"/>
+    <surface id="108" type="z-plane" boundary="vacuum" coeffs="24.0"/>
+    <surface id="109" type="x-plane" boundary="vacuum" coeffs="-24.0"/>
+    <surface id="110" type="x-plane" boundary="vacuum" coeffs="24.0"/>
+    <surface id="111" type="y-plane" boundary="vacuum" coeffs="-24.0"/>
+    <surface id="112" type="y-plane" boundary="vacuum" coeffs="24.0"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
     <particles>100</particles>
     <batches>5</batches>
     <inactive>1</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>-4 -4 -20 4 4 20</parameters>
       </space>
diff --git a/tests/regression_tests/surface_source_write/case-d08/inputs_true.dat b/tests/regression_tests/surface_source_write/case-d08/inputs_true.dat
index 185b8629b..c81d21b97 100644
--- a/tests/regression_tests/surface_source_write/case-d08/inputs_true.dat
+++ b/tests/regression_tests/surface_source_write/case-d08/inputs_true.dat
@@ -1,40 +1,40 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="40" name="no-void fuel">
-      <density units="g/cc" value="11"/>
-      <nuclide ao="1.0" name="U235"/>
+    <material id="40" name="no-void fuel" depletable="true">
+      <density value="11" units="g/cc"/>
+      <nuclide name="U235" ao="1.0"/>
     </material>
     <material id="41" name="water">
-      <density units="g/cc" value="1.0"/>
-      <nuclide ao="2.0" name="H1"/>
-      <nuclide ao="1.0" name="O16"/>
+      <density value="1.0" units="g/cc"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
       <sab name="c_H_in_H2O"/>
     </material>
   </materials>
   <geometry>
-    <cell fill="1" id="8" region="101 -102 103 -104 105 -106" universe="2"/>
+    <cell id="8" fill="1" region="101 -102 103 -104 105 -106" universe="2"/>
     <cell id="9" material="41" region="107 -108 109 -110 111 -112 (-101 | 102 | -103 | 104 | -105 | 106)" universe="2"/>
-    <dagmc_universe filename="../../dagmc/legacy/dagmc.h5m" id="1"/>
-    <surface coeffs="-22.0" id="101" type="z-plane"/>
-    <surface coeffs="22.0" id="102" type="z-plane"/>
-    <surface coeffs="-22.0" id="103" type="x-plane"/>
-    <surface coeffs="22.0" id="104" type="x-plane"/>
-    <surface coeffs="-22.0" id="105" type="y-plane"/>
-    <surface coeffs="22.0" id="106" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="-24.0" id="107" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="24.0" id="108" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="-24.0" id="109" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="24.0" id="110" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="-24.0" id="111" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="24.0" id="112" type="y-plane"/>
+    <dagmc_universe id="1" filename="../../dagmc/legacy/dagmc.h5m"/>
+    <surface id="101" type="z-plane" coeffs="-22.0"/>
+    <surface id="102" type="z-plane" coeffs="22.0"/>
+    <surface id="103" type="x-plane" coeffs="-22.0"/>
+    <surface id="104" type="x-plane" coeffs="22.0"/>
+    <surface id="105" type="y-plane" coeffs="-22.0"/>
+    <surface id="106" type="y-plane" coeffs="22.0"/>
+    <surface id="107" type="z-plane" boundary="vacuum" coeffs="-24.0"/>
+    <surface id="108" type="z-plane" boundary="vacuum" coeffs="24.0"/>
+    <surface id="109" type="x-plane" boundary="vacuum" coeffs="-24.0"/>
+    <surface id="110" type="x-plane" boundary="vacuum" coeffs="24.0"/>
+    <surface id="111" type="y-plane" boundary="vacuum" coeffs="-24.0"/>
+    <surface id="112" type="y-plane" boundary="vacuum" coeffs="24.0"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
     <particles>100</particles>
     <batches>5</batches>
     <inactive>1</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>-4 -4 -20 4 4 20</parameters>
       </space>
diff --git a/tests/regression_tests/surface_source_write/case-e01/inputs_true.dat b/tests/regression_tests/surface_source_write/case-e01/inputs_true.dat
index ac3c03e37..46701aea7 100644
--- a/tests/regression_tests/surface_source_write/case-e01/inputs_true.dat
+++ b/tests/regression_tests/surface_source_write/case-e01/inputs_true.dat
@@ -1,47 +1,47 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1">
-      <density units="g/cm3" value="11.0"/>
-      <nuclide ao="0.0004524" name="U234"/>
-      <nuclide ao="0.0506068" name="U235"/>
-      <nuclide ao="0.948709" name="U238"/>
-      <nuclide ao="0.0002318" name="U236"/>
-      <nuclide ao="2.0" name="O16"/>
+    <material id="1" depletable="true">
+      <density value="11.0" units="g/cm3"/>
+      <nuclide name="U234" ao="0.0004524"/>
+      <nuclide name="U235" ao="0.0506068"/>
+      <nuclide name="U238" ao="0.948709"/>
+      <nuclide name="U236" ao="0.0002318"/>
+      <nuclide name="O16" ao="2.0"/>
     </material>
     <material id="2">
-      <density units="g/cm3" value="1.0"/>
-      <nuclide ao="2.0" name="H1"/>
-      <nuclide ao="1.0" name="O16"/>
+      <density value="1.0" units="g/cm3"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
     </material>
   </materials>
   <geometry>
     <cell id="1" material="1" region="-1 2 -3" universe="1"/>
     <cell id="2" material="2" region="1 | -2 | 3" universe="1"/>
-    <cell fill="1" id="3" region="-5 4 -7 6 -9 8" universe="2"/>
+    <cell id="3" fill="1" region="-5 4 -7 6 -9 8" universe="2"/>
     <cell id="4" material="2" region="-11 10 -13 12 -15 14 (5 | -4 | 7 | -6 | 9 | -8)" universe="2"/>
-    <surface coeffs="0.0 0.0 2.0" id="1" type="z-cylinder"/>
-    <surface coeffs="-2.0" id="2" type="z-plane"/>
-    <surface coeffs="2.0" id="3" type="z-plane"/>
-    <surface coeffs="-3.0" id="4" type="x-plane"/>
-    <surface coeffs="3.0" id="5" type="x-plane"/>
-    <surface coeffs="-3.0" id="6" type="y-plane"/>
-    <surface coeffs="3.0" id="7" type="y-plane"/>
-    <surface coeffs="-3.0" id="8" type="z-plane"/>
-    <surface coeffs="3.0" id="9" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="-4.0" id="10" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="4.0" id="11" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="-4.0" id="12" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="4.0" id="13" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="-4.0" id="14" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="4.0" id="15" type="z-plane"/>
+    <surface id="1" type="z-cylinder" coeffs="0.0 0.0 2.0"/>
+    <surface id="2" type="z-plane" coeffs="-2.0"/>
+    <surface id="3" type="z-plane" coeffs="2.0"/>
+    <surface id="4" type="x-plane" coeffs="-3.0"/>
+    <surface id="5" type="x-plane" coeffs="3.0"/>
+    <surface id="6" type="y-plane" coeffs="-3.0"/>
+    <surface id="7" type="y-plane" coeffs="3.0"/>
+    <surface id="8" type="z-plane" coeffs="-3.0"/>
+    <surface id="9" type="z-plane" coeffs="3.0"/>
+    <surface id="10" type="x-plane" boundary="vacuum" coeffs="-4.0"/>
+    <surface id="11" type="x-plane" boundary="vacuum" coeffs="4.0"/>
+    <surface id="12" type="y-plane" boundary="vacuum" coeffs="-4.0"/>
+    <surface id="13" type="y-plane" boundary="vacuum" coeffs="4.0"/>
+    <surface id="14" type="z-plane" boundary="vacuum" coeffs="-4.0"/>
+    <surface id="15" type="z-plane" boundary="vacuum" coeffs="4.0"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
     <particles>100</particles>
     <batches>5</batches>
     <inactive>1</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
       </space>
diff --git a/tests/regression_tests/surface_source_write/case-e02/inputs_true.dat b/tests/regression_tests/surface_source_write/case-e02/inputs_true.dat
index a6107d16f..a4588c8d0 100644
--- a/tests/regression_tests/surface_source_write/case-e02/inputs_true.dat
+++ b/tests/regression_tests/surface_source_write/case-e02/inputs_true.dat
@@ -1,47 +1,47 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1">
-      <density units="g/cm3" value="11.0"/>
-      <nuclide ao="0.0004524" name="U234"/>
-      <nuclide ao="0.0506068" name="U235"/>
-      <nuclide ao="0.948709" name="U238"/>
-      <nuclide ao="0.0002318" name="U236"/>
-      <nuclide ao="2.0" name="O16"/>
+    <material id="1" depletable="true">
+      <density value="11.0" units="g/cm3"/>
+      <nuclide name="U234" ao="0.0004524"/>
+      <nuclide name="U235" ao="0.0506068"/>
+      <nuclide name="U238" ao="0.948709"/>
+      <nuclide name="U236" ao="0.0002318"/>
+      <nuclide name="O16" ao="2.0"/>
     </material>
     <material id="2">
-      <density units="g/cm3" value="1.0"/>
-      <nuclide ao="2.0" name="H1"/>
-      <nuclide ao="1.0" name="O16"/>
+      <density value="1.0" units="g/cm3"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
     </material>
   </materials>
   <geometry>
     <cell id="1" material="1" region="-1 2 -3" universe="1"/>
     <cell id="2" material="2" region="1 | -2 | 3" universe="1"/>
-    <cell fill="1" id="3" region="-5 4 -7 6 -9 8" universe="2"/>
+    <cell id="3" fill="1" region="-5 4 -7 6 -9 8" universe="2"/>
     <cell id="4" material="2" region="-11 10 -13 12 -15 14 (5 | -4 | 7 | -6 | 9 | -8)" universe="2"/>
-    <surface coeffs="0.0 0.0 2.0" id="1" type="z-cylinder"/>
-    <surface coeffs="-2.0" id="2" type="z-plane"/>
-    <surface coeffs="2.0" id="3" type="z-plane"/>
-    <surface coeffs="-3.0" id="4" type="x-plane"/>
-    <surface coeffs="3.0" id="5" type="x-plane"/>
-    <surface coeffs="-3.0" id="6" type="y-plane"/>
-    <surface coeffs="3.0" id="7" type="y-plane"/>
-    <surface coeffs="-3.0" id="8" type="z-plane"/>
-    <surface coeffs="3.0" id="9" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="-4.0" id="10" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="4.0" id="11" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="-4.0" id="12" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="4.0" id="13" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="-4.0" id="14" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="4.0" id="15" type="z-plane"/>
+    <surface id="1" type="z-cylinder" coeffs="0.0 0.0 2.0"/>
+    <surface id="2" type="z-plane" coeffs="-2.0"/>
+    <surface id="3" type="z-plane" coeffs="2.0"/>
+    <surface id="4" type="x-plane" coeffs="-3.0"/>
+    <surface id="5" type="x-plane" coeffs="3.0"/>
+    <surface id="6" type="y-plane" coeffs="-3.0"/>
+    <surface id="7" type="y-plane" coeffs="3.0"/>
+    <surface id="8" type="z-plane" coeffs="-3.0"/>
+    <surface id="9" type="z-plane" coeffs="3.0"/>
+    <surface id="10" type="x-plane" boundary="vacuum" coeffs="-4.0"/>
+    <surface id="11" type="x-plane" boundary="vacuum" coeffs="4.0"/>
+    <surface id="12" type="y-plane" boundary="vacuum" coeffs="-4.0"/>
+    <surface id="13" type="y-plane" boundary="vacuum" coeffs="4.0"/>
+    <surface id="14" type="z-plane" boundary="vacuum" coeffs="-4.0"/>
+    <surface id="15" type="z-plane" boundary="vacuum" coeffs="4.0"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
     <particles>100</particles>
     <batches>5</batches>
     <inactive>1</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
       </space>
diff --git a/tests/regression_tests/surface_source_write/case-e03/inputs_true.dat b/tests/regression_tests/surface_source_write/case-e03/inputs_true.dat
index 23bbf0455..2a93fdb4d 100644
--- a/tests/regression_tests/surface_source_write/case-e03/inputs_true.dat
+++ b/tests/regression_tests/surface_source_write/case-e03/inputs_true.dat
@@ -1,40 +1,40 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1">
-      <density units="g/cm3" value="11.0"/>
-      <nuclide ao="0.0004524" name="U234"/>
-      <nuclide ao="0.0506068" name="U235"/>
-      <nuclide ao="0.948709" name="U238"/>
-      <nuclide ao="0.0002318" name="U236"/>
-      <nuclide ao="2.0" name="O16"/>
+    <material id="1" depletable="true">
+      <density value="11.0" units="g/cm3"/>
+      <nuclide name="U234" ao="0.0004524"/>
+      <nuclide name="U235" ao="0.0506068"/>
+      <nuclide name="U238" ao="0.948709"/>
+      <nuclide name="U236" ao="0.0002318"/>
+      <nuclide name="O16" ao="2.0"/>
     </material>
     <material id="2">
-      <density units="g/cm3" value="1.0"/>
-      <nuclide ao="2.0" name="H1"/>
-      <nuclide ao="1.0" name="O16"/>
+      <density value="1.0" units="g/cm3"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
     </material>
   </materials>
   <geometry>
     <cell id="1" material="1" region="-1 2 -3" universe="1"/>
     <cell id="2" material="2" region="1 | -2 | 3" universe="1"/>
-    <cell fill="1" id="3" region="-5 4 -7 6 -9 8" universe="2"/>
-    <surface coeffs="0.0 0.0 2.0" id="1" type="z-cylinder"/>
-    <surface coeffs="-2.0" id="2" type="z-plane"/>
-    <surface coeffs="2.0" id="3" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="-3.0" id="4" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="3.0" id="5" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="-3.0" id="6" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="3.0" id="7" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="-3.0" id="8" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="3.0" id="9" type="z-plane"/>
+    <cell id="3" fill="1" region="-5 4 -7 6 -9 8" universe="2"/>
+    <surface id="1" type="z-cylinder" coeffs="0.0 0.0 2.0"/>
+    <surface id="2" type="z-plane" coeffs="-2.0"/>
+    <surface id="3" type="z-plane" coeffs="2.0"/>
+    <surface id="4" type="x-plane" boundary="vacuum" coeffs="-3.0"/>
+    <surface id="5" type="x-plane" boundary="vacuum" coeffs="3.0"/>
+    <surface id="6" type="y-plane" boundary="vacuum" coeffs="-3.0"/>
+    <surface id="7" type="y-plane" boundary="vacuum" coeffs="3.0"/>
+    <surface id="8" type="z-plane" boundary="vacuum" coeffs="-3.0"/>
+    <surface id="9" type="z-plane" boundary="vacuum" coeffs="3.0"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
     <particles>100</particles>
     <batches>5</batches>
     <inactive>1</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
       </space>
diff --git a/tests/regression_tests/surface_tally/inputs_true.dat b/tests/regression_tests/surface_tally/inputs_true.dat
index 192c2e89f..2b070c5a3 100644
--- a/tests/regression_tests/surface_tally/inputs_true.dat
+++ b/tests/regression_tests/surface_tally/inputs_true.dat
@@ -1,35 +1,35 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1" name="UO2 fuel at 2.4% wt enrichment">
-      <density units="g/cc" value="10.0"/>
-      <nuclide ao="1.0" name="U238"/>
-      <nuclide ao="0.02" name="U235"/>
-      <nuclide ao="2.0" name="O16"/>
+    <material id="1" name="UO2 fuel at 2.4% wt enrichment" depletable="true">
+      <density value="10.0" units="g/cc"/>
+      <nuclide name="U238" ao="1.0"/>
+      <nuclide name="U235" ao="0.02"/>
+      <nuclide name="O16" ao="2.0"/>
     </material>
     <material id="2" name="Borated water">
-      <density units="g/cm3" value="1"/>
-      <nuclide ao="0.0001" name="B10"/>
-      <nuclide ao="2.0" name="H1"/>
-      <nuclide ao="1.0" name="O16"/>
+      <density value="1" units="g/cm3"/>
+      <nuclide name="B10" ao="0.0001"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="fuel" region="-1" universe="1"/>
-    <cell id="2" material="2" name="water" region="1 -3 4 -5" universe="1"/>
-    <cell fill="1" id="3" name="root cell" region="2 -3 4 -5" universe="0"/>
-    <surface coeffs="0 0 1" id="1" name="Fuel OR" type="z-cylinder"/>
-    <surface boundary="vacuum" coeffs="-2" id="2" name="left" type="x-plane"/>
-    <surface boundary="reflective" coeffs="2" id="3" name="right" type="x-plane"/>
-    <surface boundary="reflective" coeffs="-2" id="4" name="bottom" type="y-plane"/>
-    <surface boundary="reflective" coeffs="2" id="5" name="top" type="y-plane"/>
+    <cell id="1" name="fuel" material="1" region="-1" universe="1"/>
+    <cell id="2" name="water" material="2" region="1 -3 4 -5" universe="1"/>
+    <cell id="3" name="root cell" fill="1" region="2 -3 4 -5" universe="0"/>
+    <surface id="1" name="Fuel OR" type="z-cylinder" coeffs="0 0 1"/>
+    <surface id="2" name="left" type="x-plane" boundary="vacuum" coeffs="-2"/>
+    <surface id="3" name="right" type="x-plane" boundary="reflective" coeffs="2"/>
+    <surface id="4" name="bottom" type="y-plane" boundary="reflective" coeffs="-2"/>
+    <surface id="5" name="top" type="y-plane" boundary="reflective" coeffs="2"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
     <particles>1000</particles>
     <batches>10</batches>
     <inactive>0</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>-0.62992 -0.62992 -1 0.62992 0.62992 1</parameters>
       </space>
diff --git a/tests/regression_tests/tallies/inputs_true.dat b/tests/regression_tests/tallies/inputs_true.dat
index 2ce36c5df..40829f865 100644
--- a/tests/regression_tests/tallies/inputs_true.dat
+++ b/tests/regression_tests/tallies/inputs_true.dat
@@ -1,40 +1,40 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1" name="UOX fuel">
-      <density units="g/cm3" value="10.062"/>
-      <nuclide ao="4.9476e-06" name="U234"/>
-      <nuclide ao="0.00048218" name="U235"/>
-      <nuclide ao="0.021504" name="U238"/>
-      <nuclide ao="1.0801e-08" name="Xe135"/>
-      <nuclide ao="0.045737" name="O16"/>
+    <material id="1" name="UOX fuel" depletable="true">
+      <density value="10.062" units="g/cm3"/>
+      <nuclide name="U234" ao="4.9476e-06"/>
+      <nuclide name="U235" ao="0.00048218"/>
+      <nuclide name="U238" ao="0.021504"/>
+      <nuclide name="Xe135" ao="1.0801e-08"/>
+      <nuclide name="O16" ao="0.045737"/>
     </material>
     <material id="2" name="Zircaloy">
-      <density units="g/cm3" value="5.77"/>
-      <nuclide ao="0.5145" name="Zr90"/>
-      <nuclide ao="0.1122" name="Zr91"/>
-      <nuclide ao="0.1715" name="Zr92"/>
-      <nuclide ao="0.1738" name="Zr94"/>
-      <nuclide ao="0.028" name="Zr96"/>
+      <density value="5.77" units="g/cm3"/>
+      <nuclide name="Zr90" ao="0.5145"/>
+      <nuclide name="Zr91" ao="0.1122"/>
+      <nuclide name="Zr92" ao="0.1715"/>
+      <nuclide name="Zr94" ao="0.1738"/>
+      <nuclide name="Zr96" ao="0.028"/>
     </material>
     <material id="3" name="Cold borated water">
-      <density units="atom/b-cm" value="0.07416"/>
-      <nuclide ao="2.0" name="H1"/>
-      <nuclide ao="1.0" name="O16"/>
-      <nuclide ao="0.000649" name="B10"/>
-      <nuclide ao="0.002689" name="B11"/>
+      <density value="0.07416" units="atom/b-cm"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
+      <nuclide name="B10" ao="0.000649"/>
+      <nuclide name="B11" ao="0.002689"/>
       <sab name="c_H_in_H2O"/>
     </material>
     <material id="4" name="Hot borated water">
-      <density units="atom/b-cm" value="0.06614"/>
-      <nuclide ao="2.0" name="H1"/>
-      <nuclide ao="1.0" name="O16"/>
-      <nuclide ao="0.000649" name="B10"/>
-      <nuclide ao="0.002689" name="B11"/>
+      <density value="0.06614" units="atom/b-cm"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
+      <nuclide name="B10" ao="0.000649"/>
+      <nuclide name="B11" ao="0.002689"/>
       <sab name="c_H_in_H2O"/>
     </material>
     <material id="5" name="Reactor pressure vessel steel">
-      <density units="g/cm3" value="7.9"/>
+      <density value="7.9" units="g/cm3"/>
       <nuclide name="Fe54" wo="0.05437098"/>
       <nuclide name="Fe56" wo="0.88500663"/>
       <nuclide name="Fe57" wo="0.0208008"/>
@@ -47,7 +47,7 @@
       <nuclide name="Cu63" wo="0.0013696"/>
     </material>
     <material id="6" name="Lower radial reflector">
-      <density units="g/cm3" value="4.32"/>
+      <density value="4.32" units="g/cm3"/>
       <nuclide name="H1" wo="0.0095661"/>
       <nuclide name="O16" wo="0.0759107"/>
       <nuclide name="B10" wo="3.08409e-05"/>
@@ -62,7 +62,7 @@
       <sab name="c_H_in_H2O"/>
     </material>
     <material id="7" name="Upper radial reflector / Top plate region">
-      <density units="g/cm3" value="4.28"/>
+      <density value="4.28" units="g/cm3"/>
       <nuclide name="H1" wo="0.0086117"/>
       <nuclide name="O16" wo="0.0683369"/>
       <nuclide name="B10" wo="2.77638e-05"/>
@@ -77,7 +77,7 @@
       <sab name="c_H_in_H2O"/>
     </material>
     <material id="8" name="Bottom plate region">
-      <density units="g/cm3" value="7.184"/>
+      <density value="7.184" units="g/cm3"/>
       <nuclide name="H1" wo="0.0011505"/>
       <nuclide name="O16" wo="0.0091296"/>
       <nuclide name="B10" wo="3.70915e-06"/>
@@ -92,7 +92,7 @@
       <sab name="c_H_in_H2O"/>
     </material>
     <material id="9" name="Bottom nozzle region">
-      <density units="g/cm3" value="2.53"/>
+      <density value="2.53" units="g/cm3"/>
       <nuclide name="H1" wo="0.0245014"/>
       <nuclide name="O16" wo="0.1944274"/>
       <nuclide name="B10" wo="7.89917e-05"/>
@@ -107,7 +107,7 @@
       <sab name="c_H_in_H2O"/>
     </material>
     <material id="10" name="Top nozzle region">
-      <density units="g/cm3" value="1.746"/>
+      <density value="1.746" units="g/cm3"/>
       <nuclide name="H1" wo="0.035887"/>
       <nuclide name="O16" wo="0.2847761"/>
       <nuclide name="B10" wo="0.000115699"/>
@@ -122,7 +122,7 @@
       <sab name="c_H_in_H2O"/>
     </material>
     <material id="11" name="Top of fuel assemblies">
-      <density units="g/cm3" value="3.044"/>
+      <density value="3.044" units="g/cm3"/>
       <nuclide name="H1" wo="0.0162913"/>
       <nuclide name="O16" wo="0.1292776"/>
       <nuclide name="B10" wo="5.25228e-05"/>
@@ -135,7 +135,7 @@
       <sab name="c_H_in_H2O"/>
     </material>
     <material id="12" name="Bottom of fuel assemblies">
-      <density units="g/cm3" value="1.762"/>
+      <density value="1.762" units="g/cm3"/>
       <nuclide name="H1" wo="0.0292856"/>
       <nuclide name="O16" wo="0.2323919"/>
       <nuclide name="B10" wo="9.44159e-05"/>
@@ -149,8 +149,8 @@
     </material>
   </materials>
   <geometry>
-    <cell fill="200" id="1" region="-6 34 -35" universe="0"/>
-    <cell fill="201" id="2" region="-6 35 -36" universe="0"/>
+    <cell id="1" fill="200" region="-6 34 -35" universe="0"/>
+    <cell id="2" fill="201" region="-6 35 -36" universe="0"/>
     <cell id="3" material="8" region="-7 31 -32" universe="0"/>
     <cell id="4" material="9" region="-5 32 -33" universe="0"/>
     <cell id="5" material="12" region="-5 33 -34" universe="0"/>
@@ -174,9 +174,9 @@
     <cell id="31" material="2" region="3 -4" universe="4"/>
     <cell id="32" material="4" region="4" universe="4"/>
     <cell id="50" material="3" region="34 -35" universe="5"/>
-    <cell fill="100" id="60" region="34 -35" universe="6"/>
+    <cell id="60" fill="100" region="34 -35" universe="6"/>
     <cell id="70" material="4" region="35 -36" universe="7"/>
-    <cell fill="101" id="80" region="35 -36" universe="8"/>
+    <cell id="80" fill="101" region="35 -36" universe="8"/>
     <lattice id="100" name="Fuel assembly (lower half)">
       <pitch>1.26 1.26</pitch>
       <dimension>17 17</dimension>
@@ -277,30 +277,30 @@
 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 
 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 </universes>
     </lattice>
-    <surface coeffs="0.0 0.0 0.41" id="1" type="z-cylinder"/>
-    <surface coeffs="0.0 0.0 0.475" id="2" type="z-cylinder"/>
-    <surface coeffs="0.0 0.0 0.56" id="3" type="z-cylinder"/>
-    <surface coeffs="0.0 0.0 0.62" id="4" type="z-cylinder"/>
-    <surface coeffs="0.0 0.0 187.6" id="5" type="z-cylinder"/>
-    <surface coeffs="0.0 0.0 209.0" id="6" type="z-cylinder"/>
-    <surface coeffs="0.0 0.0 229.0" id="7" type="z-cylinder"/>
-    <surface boundary="vacuum" coeffs="0.0 0.0 249.0" id="8" type="z-cylinder"/>
-    <surface boundary="vacuum" coeffs="-229.0" id="31" type="z-plane"/>
-    <surface coeffs="-199.0" id="32" type="z-plane"/>
-    <surface coeffs="-193.0" id="33" type="z-plane"/>
-    <surface coeffs="-183.0" id="34" type="z-plane"/>
-    <surface coeffs="0.0" id="35" type="z-plane"/>
-    <surface coeffs="183.0" id="36" type="z-plane"/>
-    <surface coeffs="203.0" id="37" type="z-plane"/>
-    <surface coeffs="215.0" id="38" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="223.0" id="39" type="z-plane"/>
+    <surface id="1" type="z-cylinder" coeffs="0.0 0.0 0.41"/>
+    <surface id="2" type="z-cylinder" coeffs="0.0 0.0 0.475"/>
+    <surface id="3" type="z-cylinder" coeffs="0.0 0.0 0.56"/>
+    <surface id="4" type="z-cylinder" coeffs="0.0 0.0 0.62"/>
+    <surface id="5" type="z-cylinder" coeffs="0.0 0.0 187.6"/>
+    <surface id="6" type="z-cylinder" coeffs="0.0 0.0 209.0"/>
+    <surface id="7" type="z-cylinder" coeffs="0.0 0.0 229.0"/>
+    <surface id="8" type="z-cylinder" boundary="vacuum" coeffs="0.0 0.0 249.0"/>
+    <surface id="31" type="z-plane" boundary="vacuum" coeffs="-229.0"/>
+    <surface id="32" type="z-plane" coeffs="-199.0"/>
+    <surface id="33" type="z-plane" coeffs="-193.0"/>
+    <surface id="34" type="z-plane" coeffs="-183.0"/>
+    <surface id="35" type="z-plane" coeffs="0.0"/>
+    <surface id="36" type="z-plane" coeffs="183.0"/>
+    <surface id="37" type="z-plane" coeffs="203.0"/>
+    <surface id="38" type="z-plane" coeffs="215.0"/>
+    <surface id="39" type="z-plane" boundary="vacuum" coeffs="223.0"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
     <particles>400</particles>
     <batches>5</batches>
     <inactive>0</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>-160 -160 -183 160 160 183</parameters>
       </space>
@@ -342,7 +342,7 @@
     <filter id="10" type="legendre">
       <order>4</order>
     </filter>
-    <filter cosine="particle" id="11" type="sphericalharmonics">
+    <filter id="11" type="sphericalharmonics" cosine="particle">
       <order>4</order>
     </filter>
     <filter id="12" type="universe">
diff --git a/tests/regression_tests/tally_aggregation/inputs_true.dat b/tests/regression_tests/tally_aggregation/inputs_true.dat
index 9f4f95655..7351b230c 100644
--- a/tests/regression_tests/tally_aggregation/inputs_true.dat
+++ b/tests/regression_tests/tally_aggregation/inputs_true.dat
@@ -1,24 +1,24 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1" name="UO2">
-      <density units="g/cm3" value="10.29769"/>
-      <nuclide ao="4.4843e-06" name="U234"/>
-      <nuclide ao="0.00055815" name="U235"/>
-      <nuclide ao="0.022408" name="U238"/>
-      <nuclide ao="0.045829" name="O16"/>
+    <material id="1" name="UO2" depletable="true">
+      <density value="10.29769" units="g/cm3"/>
+      <nuclide name="U234" ao="4.4843e-06"/>
+      <nuclide name="U235" ao="0.00055815"/>
+      <nuclide name="U238" ao="0.022408"/>
+      <nuclide name="O16" ao="0.045829"/>
     </material>
     <material id="2" name="light water">
-      <density units="g/cm3" value="1.0"/>
-      <nuclide ao="2.0" name="H1"/>
-      <nuclide ao="1.0" name="O16"/>
+      <density value="1.0" units="g/cm3"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
       <sab name="c_H_in_H2O"/>
     </material>
   </materials>
   <geometry>
     <cell id="1" material="1" region="-1" universe="1"/>
     <cell id="2" material="2" region="1" universe="1"/>
-    <cell fill="2" id="3" region="2 -3 4 -5" universe="3"/>
+    <cell id="3" fill="2" region="2 -3 4 -5" universe="3"/>
     <lattice id="2">
       <pitch>1.2 1.2</pitch>
       <outer>1</outer>
@@ -28,11 +28,11 @@
 1 1 
 1 1 </universes>
     </lattice>
-    <surface coeffs="0.0 0.0 0.4" id="1" type="z-cylinder"/>
-    <surface boundary="reflective" coeffs="-1.2" id="2" name="minimum x" type="x-plane"/>
-    <surface boundary="reflective" coeffs="1.2" id="3" name="maximum x" type="x-plane"/>
-    <surface boundary="reflective" coeffs="-1.2" id="4" name="minimum y" type="y-plane"/>
-    <surface boundary="reflective" coeffs="1.2" id="5" name="maximum y" type="y-plane"/>
+    <surface id="1" type="z-cylinder" coeffs="0.0 0.0 0.4"/>
+    <surface id="2" name="minimum x" type="x-plane" boundary="reflective" coeffs="-1.2"/>
+    <surface id="3" name="maximum x" type="x-plane" boundary="reflective" coeffs="1.2"/>
+    <surface id="4" name="minimum y" type="y-plane" boundary="reflective" coeffs="-1.2"/>
+    <surface id="5" name="maximum y" type="y-plane" boundary="reflective" coeffs="1.2"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
diff --git a/tests/regression_tests/tally_arithmetic/inputs_true.dat b/tests/regression_tests/tally_arithmetic/inputs_true.dat
index 7669b4d03..2b5234c34 100644
--- a/tests/regression_tests/tally_arithmetic/inputs_true.dat
+++ b/tests/regression_tests/tally_arithmetic/inputs_true.dat
@@ -1,24 +1,24 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1">
-      <density units="g/cm3" value="10.0"/>
-      <nuclide ao="1.0" name="U234"/>
-      <nuclide ao="4.0" name="U235"/>
-      <nuclide ao="95.0" name="U238"/>
+    <material id="1" depletable="true">
+      <density value="10.0" units="g/cm3"/>
+      <nuclide name="U234" ao="1.0"/>
+      <nuclide name="U235" ao="4.0"/>
+      <nuclide name="U238" ao="95.0"/>
     </material>
     <material id="2" name="light water">
-      <density units="g/cm3" value="1.0"/>
-      <nuclide ao="2.0" name="H1"/>
-      <nuclide ao="1.0" name="O16"/>
+      <density value="1.0" units="g/cm3"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
       <sab name="c_H_in_H2O"/>
     </material>
   </materials>
   <geometry>
     <cell id="1" material="1" region="-1" universe="1"/>
     <cell id="2" material="2" region="1 -2" universe="1"/>
-    <surface coeffs="0.0 0.0 5.0" id="1" type="z-cylinder"/>
-    <surface boundary="vacuum" coeffs="0.0 0.0 10.0" id="2" type="z-cylinder"/>
+    <surface id="1" type="z-cylinder" coeffs="0.0 0.0 5.0"/>
+    <surface id="2" type="z-cylinder" boundary="vacuum" coeffs="0.0 0.0 10.0"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
diff --git a/tests/regression_tests/tally_slice_merge/inputs_true.dat b/tests/regression_tests/tally_slice_merge/inputs_true.dat
index 7159d833a..7a992cc39 100644
--- a/tests/regression_tests/tally_slice_merge/inputs_true.dat
+++ b/tests/regression_tests/tally_slice_merge/inputs_true.dat
@@ -1,40 +1,40 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1" name="UOX fuel">
-      <density units="g/cm3" value="10.062"/>
-      <nuclide ao="4.9476e-06" name="U234"/>
-      <nuclide ao="0.00048218" name="U235"/>
-      <nuclide ao="0.021504" name="U238"/>
-      <nuclide ao="1.0801e-08" name="Xe135"/>
-      <nuclide ao="0.045737" name="O16"/>
+    <material id="1" name="UOX fuel" depletable="true">
+      <density value="10.062" units="g/cm3"/>
+      <nuclide name="U234" ao="4.9476e-06"/>
+      <nuclide name="U235" ao="0.00048218"/>
+      <nuclide name="U238" ao="0.021504"/>
+      <nuclide name="Xe135" ao="1.0801e-08"/>
+      <nuclide name="O16" ao="0.045737"/>
     </material>
     <material id="2" name="Zircaloy">
-      <density units="g/cm3" value="5.77"/>
-      <nuclide ao="0.5145" name="Zr90"/>
-      <nuclide ao="0.1122" name="Zr91"/>
-      <nuclide ao="0.1715" name="Zr92"/>
-      <nuclide ao="0.1738" name="Zr94"/>
-      <nuclide ao="0.028" name="Zr96"/>
+      <density value="5.77" units="g/cm3"/>
+      <nuclide name="Zr90" ao="0.5145"/>
+      <nuclide name="Zr91" ao="0.1122"/>
+      <nuclide name="Zr92" ao="0.1715"/>
+      <nuclide name="Zr94" ao="0.1738"/>
+      <nuclide name="Zr96" ao="0.028"/>
     </material>
     <material id="3" name="Cold borated water">
-      <density units="atom/b-cm" value="0.07416"/>
-      <nuclide ao="2.0" name="H1"/>
-      <nuclide ao="1.0" name="O16"/>
-      <nuclide ao="0.000649" name="B10"/>
-      <nuclide ao="0.002689" name="B11"/>
+      <density value="0.07416" units="atom/b-cm"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
+      <nuclide name="B10" ao="0.000649"/>
+      <nuclide name="B11" ao="0.002689"/>
       <sab name="c_H_in_H2O"/>
     </material>
     <material id="4" name="Hot borated water">
-      <density units="atom/b-cm" value="0.06614"/>
-      <nuclide ao="2.0" name="H1"/>
-      <nuclide ao="1.0" name="O16"/>
-      <nuclide ao="0.000649" name="B10"/>
-      <nuclide ao="0.002689" name="B11"/>
+      <density value="0.06614" units="atom/b-cm"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
+      <nuclide name="B10" ao="0.000649"/>
+      <nuclide name="B11" ao="0.002689"/>
       <sab name="c_H_in_H2O"/>
     </material>
     <material id="5" name="Reactor pressure vessel steel">
-      <density units="g/cm3" value="7.9"/>
+      <density value="7.9" units="g/cm3"/>
       <nuclide name="Fe54" wo="0.05437098"/>
       <nuclide name="Fe56" wo="0.88500663"/>
       <nuclide name="Fe57" wo="0.0208008"/>
@@ -47,7 +47,7 @@
       <nuclide name="Cu63" wo="0.0013696"/>
     </material>
     <material id="6" name="Lower radial reflector">
-      <density units="g/cm3" value="4.32"/>
+      <density value="4.32" units="g/cm3"/>
       <nuclide name="H1" wo="0.0095661"/>
       <nuclide name="O16" wo="0.0759107"/>
       <nuclide name="B10" wo="3.08409e-05"/>
@@ -62,7 +62,7 @@
       <sab name="c_H_in_H2O"/>
     </material>
     <material id="7" name="Upper radial reflector / Top plate region">
-      <density units="g/cm3" value="4.28"/>
+      <density value="4.28" units="g/cm3"/>
       <nuclide name="H1" wo="0.0086117"/>
       <nuclide name="O16" wo="0.0683369"/>
       <nuclide name="B10" wo="2.77638e-05"/>
@@ -77,7 +77,7 @@
       <sab name="c_H_in_H2O"/>
     </material>
     <material id="8" name="Bottom plate region">
-      <density units="g/cm3" value="7.184"/>
+      <density value="7.184" units="g/cm3"/>
       <nuclide name="H1" wo="0.0011505"/>
       <nuclide name="O16" wo="0.0091296"/>
       <nuclide name="B10" wo="3.70915e-06"/>
@@ -92,7 +92,7 @@
       <sab name="c_H_in_H2O"/>
     </material>
     <material id="9" name="Bottom nozzle region">
-      <density units="g/cm3" value="2.53"/>
+      <density value="2.53" units="g/cm3"/>
       <nuclide name="H1" wo="0.0245014"/>
       <nuclide name="O16" wo="0.1944274"/>
       <nuclide name="B10" wo="7.89917e-05"/>
@@ -107,7 +107,7 @@
       <sab name="c_H_in_H2O"/>
     </material>
     <material id="10" name="Top nozzle region">
-      <density units="g/cm3" value="1.746"/>
+      <density value="1.746" units="g/cm3"/>
       <nuclide name="H1" wo="0.035887"/>
       <nuclide name="O16" wo="0.2847761"/>
       <nuclide name="B10" wo="0.000115699"/>
@@ -122,7 +122,7 @@
       <sab name="c_H_in_H2O"/>
     </material>
     <material id="11" name="Top of fuel assemblies">
-      <density units="g/cm3" value="3.044"/>
+      <density value="3.044" units="g/cm3"/>
       <nuclide name="H1" wo="0.0162913"/>
       <nuclide name="O16" wo="0.1292776"/>
       <nuclide name="B10" wo="5.25228e-05"/>
@@ -135,7 +135,7 @@
       <sab name="c_H_in_H2O"/>
     </material>
     <material id="12" name="Bottom of fuel assemblies">
-      <density units="g/cm3" value="1.762"/>
+      <density value="1.762" units="g/cm3"/>
       <nuclide name="H1" wo="0.0292856"/>
       <nuclide name="O16" wo="0.2323919"/>
       <nuclide name="B10" wo="9.44159e-05"/>
@@ -149,8 +149,8 @@
     </material>
   </materials>
   <geometry>
-    <cell fill="200" id="1" region="-6 34 -35" universe="0"/>
-    <cell fill="201" id="2" region="-6 35 -36" universe="0"/>
+    <cell id="1" fill="200" region="-6 34 -35" universe="0"/>
+    <cell id="2" fill="201" region="-6 35 -36" universe="0"/>
     <cell id="3" material="8" region="-7 31 -32" universe="0"/>
     <cell id="4" material="9" region="-5 32 -33" universe="0"/>
     <cell id="5" material="12" region="-5 33 -34" universe="0"/>
@@ -174,9 +174,9 @@
     <cell id="31" material="2" region="3 -4" universe="4"/>
     <cell id="32" material="4" region="4" universe="4"/>
     <cell id="50" material="3" region="34 -35" universe="5"/>
-    <cell fill="100" id="60" region="34 -35" universe="6"/>
+    <cell id="60" fill="100" region="34 -35" universe="6"/>
     <cell id="70" material="4" region="35 -36" universe="7"/>
-    <cell fill="101" id="80" region="35 -36" universe="8"/>
+    <cell id="80" fill="101" region="35 -36" universe="8"/>
     <lattice id="100" name="Fuel assembly (lower half)">
       <pitch>1.26 1.26</pitch>
       <dimension>17 17</dimension>
@@ -277,30 +277,30 @@
 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 
 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 </universes>
     </lattice>
-    <surface coeffs="0.0 0.0 0.41" id="1" type="z-cylinder"/>
-    <surface coeffs="0.0 0.0 0.475" id="2" type="z-cylinder"/>
-    <surface coeffs="0.0 0.0 0.56" id="3" type="z-cylinder"/>
-    <surface coeffs="0.0 0.0 0.62" id="4" type="z-cylinder"/>
-    <surface coeffs="0.0 0.0 187.6" id="5" type="z-cylinder"/>
-    <surface coeffs="0.0 0.0 209.0" id="6" type="z-cylinder"/>
-    <surface coeffs="0.0 0.0 229.0" id="7" type="z-cylinder"/>
-    <surface boundary="vacuum" coeffs="0.0 0.0 249.0" id="8" type="z-cylinder"/>
-    <surface boundary="vacuum" coeffs="-229.0" id="31" type="z-plane"/>
-    <surface coeffs="-199.0" id="32" type="z-plane"/>
-    <surface coeffs="-193.0" id="33" type="z-plane"/>
-    <surface coeffs="-183.0" id="34" type="z-plane"/>
-    <surface coeffs="0.0" id="35" type="z-plane"/>
-    <surface coeffs="183.0" id="36" type="z-plane"/>
-    <surface coeffs="203.0" id="37" type="z-plane"/>
-    <surface coeffs="215.0" id="38" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="223.0" id="39" type="z-plane"/>
+    <surface id="1" type="z-cylinder" coeffs="0.0 0.0 0.41"/>
+    <surface id="2" type="z-cylinder" coeffs="0.0 0.0 0.475"/>
+    <surface id="3" type="z-cylinder" coeffs="0.0 0.0 0.56"/>
+    <surface id="4" type="z-cylinder" coeffs="0.0 0.0 0.62"/>
+    <surface id="5" type="z-cylinder" coeffs="0.0 0.0 187.6"/>
+    <surface id="6" type="z-cylinder" coeffs="0.0 0.0 209.0"/>
+    <surface id="7" type="z-cylinder" coeffs="0.0 0.0 229.0"/>
+    <surface id="8" type="z-cylinder" boundary="vacuum" coeffs="0.0 0.0 249.0"/>
+    <surface id="31" type="z-plane" boundary="vacuum" coeffs="-229.0"/>
+    <surface id="32" type="z-plane" coeffs="-199.0"/>
+    <surface id="33" type="z-plane" coeffs="-193.0"/>
+    <surface id="34" type="z-plane" coeffs="-183.0"/>
+    <surface id="35" type="z-plane" coeffs="0.0"/>
+    <surface id="36" type="z-plane" coeffs="183.0"/>
+    <surface id="37" type="z-plane" coeffs="203.0"/>
+    <surface id="38" type="z-plane" coeffs="215.0"/>
+    <surface id="39" type="z-plane" boundary="vacuum" coeffs="223.0"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
     <particles>100</particles>
     <batches>10</batches>
     <inactive>5</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>-160 -160 -183 160 160 183</parameters>
       </space>
diff --git a/tests/regression_tests/time_cutoff/inputs_true.dat b/tests/regression_tests/time_cutoff/inputs_true.dat
index 7d3e94f50..e1102d475 100644
--- a/tests/regression_tests/time_cutoff/inputs_true.dat
+++ b/tests/regression_tests/time_cutoff/inputs_true.dat
@@ -4,13 +4,13 @@
   </materials>
   <geometry>
     <cell id="1" material="void" region="-1" universe="1"/>
-    <surface boundary="vacuum" coeffs="0.0 0.0 0.0 200" id="1" type="sphere"/>
+    <surface id="1" type="sphere" boundary="vacuum" coeffs="0.0 0.0 0.0 200"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
     <particles>100</particles>
     <batches>10</batches>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="point">
         <parameters>0.0 0.0 0.0</parameters>
       </space>
diff --git a/tests/regression_tests/torus/inputs_true.dat b/tests/regression_tests/torus/inputs_true.dat
index a5c7a8d7a..df4af1443 100644
--- a/tests/regression_tests/torus/inputs_true.dat
+++ b/tests/regression_tests/torus/inputs_true.dat
@@ -1,13 +1,13 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1">
-      <density units="g/cm3" value="12.0"/>
-      <nuclide ao="1.0" name="U235"/>
+    <material id="1" depletable="true">
+      <density value="12.0" units="g/cm3"/>
+      <nuclide name="U235" ao="1.0"/>
     </material>
     <material id="2">
-      <density units="g/cm3" value="1.0"/>
-      <nuclide ao="1.0" name="H1"/>
+      <density value="1.0" units="g/cm3"/>
+      <nuclide name="H1" ao="1.0"/>
     </material>
   </materials>
   <geometry>
@@ -15,15 +15,15 @@
     <cell id="2" material="1" region="-3" universe="1"/>
     <cell id="3" material="1" region="-1" universe="1"/>
     <cell id="4" material="2" region="-5 4 -7 6 -9 8 2 3 1" universe="1"/>
-    <surface coeffs="0.0 0.0 0.0 3 1.5 1" id="1" type="z-torus"/>
-    <surface coeffs="6 0.0 0.0 3 1.5 1" id="2" type="x-torus"/>
-    <surface coeffs="6 0.0 0.0 6 1 0.75" id="3" type="y-torus"/>
-    <surface boundary="vacuum" coeffs="-5" id="4" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="14" id="5" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="-5" id="6" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="5" id="7" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="-8" id="8" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="8" id="9" type="z-plane"/>
+    <surface id="1" type="z-torus" coeffs="0.0 0.0 0.0 3 1.5 1"/>
+    <surface id="2" type="x-torus" coeffs="6 0.0 0.0 3 1.5 1"/>
+    <surface id="3" type="y-torus" coeffs="6 0.0 0.0 6 1 0.75"/>
+    <surface id="4" type="x-plane" boundary="vacuum" coeffs="-5"/>
+    <surface id="5" type="x-plane" boundary="vacuum" coeffs="14"/>
+    <surface id="6" type="y-plane" boundary="vacuum" coeffs="-5"/>
+    <surface id="7" type="y-plane" boundary="vacuum" coeffs="5"/>
+    <surface id="8" type="z-plane" boundary="vacuum" coeffs="-8"/>
+    <surface id="9" type="z-plane" boundary="vacuum" coeffs="8"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
diff --git a/tests/regression_tests/torus/large_major/inputs_true.dat b/tests/regression_tests/torus/large_major/inputs_true.dat
index fa7deb29a..513a8c67e 100644
--- a/tests/regression_tests/torus/large_major/inputs_true.dat
+++ b/tests/regression_tests/torus/large_major/inputs_true.dat
@@ -2,27 +2,27 @@
 <model>
   <materials>
     <material id="1">
-      <density units="g/cm3" value="1.0"/>
-      <nuclide ao="1.0" name="W184"/>
+      <density value="1.0" units="g/cm3"/>
+      <nuclide name="W184" ao="1.0"/>
     </material>
     <material id="2">
-      <density units="g/cm3" value="5.0"/>
-      <nuclide ao="1.0" name="Fe56"/>
+      <density value="5.0" units="g/cm3"/>
+      <nuclide name="Fe56" ao="1.0"/>
     </material>
   </materials>
   <geometry>
     <cell id="1" material="void" region="-1" universe="1"/>
     <cell id="2" material="1" region="1 -2" universe="1"/>
     <cell id="3" material="2" region="2 -3" universe="1"/>
-    <surface coeffs="0.0 0.0 0.0 1000.0 30.0 30.0" id="1" type="z-torus"/>
-    <surface coeffs="0.0 0.0 0.0 1000.0 35.0 35.0" id="2" type="z-torus"/>
-    <surface boundary="vacuum" coeffs="0.0 0.0 0.0 1000.0 40.0 40.0" id="3" type="z-torus"/>
+    <surface id="1" type="z-torus" coeffs="0.0 0.0 0.0 1000.0 30.0 30.0"/>
+    <surface id="2" type="z-torus" coeffs="0.0 0.0 0.0 1000.0 35.0 35.0"/>
+    <surface id="3" type="z-torus" boundary="vacuum" coeffs="0.0 0.0 0.0 1000.0 40.0 40.0"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
     <particles>1000</particles>
     <batches>10</batches>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="point">
         <parameters>-1000.0 0 0</parameters>
       </space>
diff --git a/tests/regression_tests/trigger_statepoint_restart/inputs_true.dat b/tests/regression_tests/trigger_statepoint_restart/inputs_true.dat
index 6f0b629eb..01755ad8b 100644
--- a/tests/regression_tests/trigger_statepoint_restart/inputs_true.dat
+++ b/tests/regression_tests/trigger_statepoint_restart/inputs_true.dat
@@ -1,14 +1,14 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1">
-      <density units="g/cm3" value="4.5"/>
-      <nuclide ao="1.0" name="U235"/>
+    <material id="1" depletable="true">
+      <density value="4.5" units="g/cm3"/>
+      <nuclide name="U235" ao="1.0"/>
     </material>
   </materials>
   <geometry>
     <cell id="1" material="1" region="-1" universe="1"/>
-    <surface boundary="vacuum" coeffs="0.0 0.0 0.0 10.0" id="1" type="sphere"/>
+    <surface id="1" type="sphere" boundary="vacuum" coeffs="0.0 0.0 0.0 10.0"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
diff --git a/tests/regression_tests/triso/inputs_true.dat b/tests/regression_tests/triso/inputs_true.dat
index 37f37af78..c96684568 100644
--- a/tests/regression_tests/triso/inputs_true.dat
+++ b/tests/regression_tests/triso/inputs_true.dat
@@ -1,38 +1,38 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1">
-      <density units="g/cm3" value="10.5"/>
-      <nuclide ao="0.14154" name="U235"/>
-      <nuclide ao="0.85846" name="U238"/>
-      <nuclide ao="0.5" name="C0"/>
-      <nuclide ao="1.5" name="O16"/>
+    <material id="1" depletable="true">
+      <density value="10.5" units="g/cm3"/>
+      <nuclide name="U235" ao="0.14154"/>
+      <nuclide name="U238" ao="0.85846"/>
+      <nuclide name="C0" ao="0.5"/>
+      <nuclide name="O16" ao="1.5"/>
     </material>
     <material id="2">
-      <density units="g/cm3" value="1.0"/>
-      <nuclide ao="1.0" name="C0"/>
+      <density value="1.0" units="g/cm3"/>
+      <nuclide name="C0" ao="1.0"/>
       <sab name="c_Graphite"/>
     </material>
     <material id="3">
-      <density units="g/cm3" value="1.9"/>
-      <nuclide ao="1.0" name="C0"/>
+      <density value="1.9" units="g/cm3"/>
+      <nuclide name="C0" ao="1.0"/>
       <sab name="c_Graphite"/>
     </material>
     <material id="4">
-      <density units="g/cm3" value="3.2"/>
-      <nuclide ao="1.0" name="C0"/>
-      <nuclide ao="0.9222968" name="Si28"/>
-      <nuclide ao="0.0468316" name="Si29"/>
-      <nuclide ao="0.0308716" name="Si30"/>
+      <density value="3.2" units="g/cm3"/>
+      <nuclide name="C0" ao="1.0"/>
+      <nuclide name="Si28" ao="0.9222968"/>
+      <nuclide name="Si29" ao="0.0468316"/>
+      <nuclide name="Si30" ao="0.0308716"/>
     </material>
     <material id="5">
-      <density units="g/cm3" value="1.87"/>
-      <nuclide ao="1.0" name="C0"/>
+      <density value="1.87" units="g/cm3"/>
+      <nuclide name="C0" ao="1.0"/>
       <sab name="c_Graphite"/>
     </material>
     <material id="6">
-      <density units="g/cm3" value="1.1995"/>
-      <nuclide ao="1.0" name="C0"/>
+      <density value="1.1995" units="g/cm3"/>
+      <nuclide name="C0" ao="1.0"/>
       <sab name="c_Graphite"/>
     </material>
   </materials>
@@ -42,171 +42,171 @@
     <cell id="3" material="3" region="2 -3" universe="1"/>
     <cell id="4" material="4" region="3 -4" universe="1"/>
     <cell id="5" material="5" region="4" universe="1"/>
-    <cell fill="2" id="6" region="5 -6 7 -8 9 -10" universe="0"/>
-    <cell fill="1" id="107" region="-111" translation="-0.0014062011817633224 -0.015257747167296776 -0.09184766966024316" universe="27"/>
-    <cell fill="1" id="108" region="-112" translation="0.10909902639777394 -0.004179177767328068 -0.046240930185910245" universe="15"/>
-    <cell fill="1" id="109" region="-113" translation="0.13878336652768952 -0.06900710536877097 -0.03848821497485455" universe="10"/>
-    <cell fill="1" id="110" region="-114" translation="-0.19454996680564374 -0.06900710536877097 -0.03848821497485455" universe="11"/>
-    <cell fill="1" id="111" region="-115" translation="-0.09846455191076986 -0.02594038069469251 -0.06155174933292362" universe="18"/>
-    <cell fill="1" id="112" region="-116" translation="-0.09321591784308736 -0.12248857482372477 -0.04999802384282931" universe="14"/>
-    <cell fill="1" id="113" region="-117" translation="0.2028198996079864 0.08501514690643278 0.07431198844628262" universe="22"/>
-    <cell fill="1" id="114" region="-118" translation="-0.13051343372534685 0.08501514690643278 0.07431198844628262" universe="23"/>
-    <cell fill="1" id="115" region="-119" translation="0.03417350410997999 -0.09641153719944834 -0.10112098092715327" universe="5"/>
-    <cell fill="1" id="116" region="-120" translation="0.037913118842446136 0.06870772519039314 -0.10875752039644154" universe="19"/>
-    <cell fill="1" id="117" region="-121" translation="0.07388008140640989 -0.07130227505402231 -0.09782982564187503" universe="6"/>
-    <cell fill="1" id="118" region="-122" translation="0.08897214754414112 0.08694165211410448 0.07587737301598729" universe="3"/>
-    <cell fill="1" id="119" region="-123" translation="-0.03698302711710488 0.1408784014909229 -0.10474284149572705" universe="4"/>
-    <cell fill="1" id="120" region="-124" translation="-0.03698302711710488 -0.19245493184241047 -0.10474284149572705" universe="7"/>
-    <cell fill="1" id="121" region="-125" translation="-0.02428069661424781 0.05168393238830282 0.1302704892646539" universe="17"/>
-    <cell fill="1" id="122" region="-126" translation="-0.02428069661424781 0.05168393238830282 -0.20306284406867936" universe="26"/>
-    <cell fill="1" id="123" region="-127" translation="0.04578051975994746 0.1175901605138544 -0.0038022862212453434" universe="27"/>
-    <cell fill="1" id="124" region="-128" translation="-0.013741908464450836 0.18016577553053154 0.20276897514248216" universe="12"/>
-    <cell fill="1" id="125" region="-129" translation="-0.013741908464450836 -0.15316755780280183 0.20276897514248216" universe="15"/>
-    <cell fill="1" id="126" region="-130" translation="-0.013741908464450836 0.18016577553053154 -0.1305643581908511" universe="21"/>
-    <cell fill="1" id="127" region="-131" translation="-0.013741908464450836 -0.15316755780280183 -0.1305643581908511" universe="24"/>
-    <cell fill="1" id="128" region="-132" translation="0.19334606515602848 0.066228023881572 -0.07131104153532436" universe="19"/>
-    <cell fill="1" id="129" region="-133" translation="-0.13998726817730478 0.066228023881572 -0.07131104153532436" universe="20"/>
-    <cell fill="1" id="130" region="-134" translation="-0.031185656140686913 0.155914746052082 0.15331720509241947" universe="8"/>
-    <cell fill="1" id="131" region="-135" translation="-0.031185656140686913 -0.17741858728125126 0.15331720509241947" universe="11"/>
-    <cell fill="1" id="132" region="-136" translation="-0.031185656140686913 0.155914746052082 -0.1800161282409139" universe="17"/>
-    <cell fill="1" id="133" region="-137" translation="-0.031185656140686913 -0.17741858728125126 -0.1800161282409139" universe="20"/>
-    <cell fill="1" id="134" region="-138" translation="0.08018004492442865 0.016826191928232426 -0.016389596762212966" universe="28"/>
-    <cell fill="1" id="135" region="-139" translation="0.00483733774062417 0.08148156718302602 -0.09280826916311341" universe="7"/>
-    <cell fill="1" id="136" region="-140" translation="0.0978117791120118 -0.06105974469736897 -0.07844553364014112" universe="18"/>
-    <cell fill="1" id="137" region="-141" translation="0.0339716094789545 0.044675266050854034 0.18588381767108564" universe="15"/>
-    <cell fill="1" id="138" region="-142" translation="0.0339716094789545 0.044675266050854034 -0.14744951566224762" universe="24"/>
-    <cell fill="1" id="139" region="-143" translation="0.15974177782488064 -0.11470938473074832 -0.055880627694202434" universe="16"/>
-    <cell fill="1" id="140" region="-144" translation="-0.17359155550845262 -0.11470938473074832 -0.055880627694202434" universe="17"/>
-    <cell fill="1" id="141" region="-145" translation="0.007714449992858363 -0.07841911930069978 0.019169121324834393" universe="19"/>
-    <cell fill="1" id="142" region="-146" translation="-0.09772496056025104 -0.009435582016802613 -0.0973407871549632" universe="7"/>
-    <cell fill="1" id="143" region="-147" translation="-0.08460405234526575 0.18619630211681182 0.10902502186367324" universe="24"/>
-    <cell fill="1" id="144" region="-148" translation="-0.08460405234526575 -0.14713703121652144 0.10902502186367324" universe="27"/>
-    <cell fill="1" id="145" region="-149" translation="0.08530970516294267 -0.09740948712101977 0.031538023054709596" universe="7"/>
-    <cell fill="1" id="146" region="-150" translation="0.002049400245853761 0.10800782833319489 -0.08566939881823532" universe="28"/>
-    <cell fill="1" id="147" region="-151" translation="0.036269774055772475 -0.0034880407315701634 0.08814057857502322" universe="10"/>
-    <cell fill="1" id="148" region="-152" translation="0.012607957648281654 0.08090056062626749 0.0712211465420014" universe="19"/>
-    <cell fill="1" id="149" region="-153" translation="-0.03741489943578313 0.1221086949309545 0.0439406213163509" universe="13"/>
-    <cell fill="1" id="150" region="-154" translation="0.0851566223435044 -0.1191899586548319 -0.07364696787394387" universe="23"/>
-    <cell fill="1" id="151" region="-155" translation="-0.03992848096555457 0.020214072912877246 -0.11315245980004196" universe="29"/>
-    <cell fill="1" id="152" region="-156" translation="-0.050315754084578224 0.017099968565308377 0.056173125204605934" universe="17"/>
-    <cell fill="1" id="153" region="-157" translation="-0.06766398274549851 -0.07303578778642877 0.005410963730880458" universe="22"/>
-    <cell fill="1" id="154" region="-158" translation="0.06408439016382617 0.05853632250550789 0.00432158793112436" universe="13"/>
-    <cell fill="1" id="155" region="-159" translation="-0.013801059755509382 0.20222454587424032 0.19241766819445416" universe="4"/>
-    <cell fill="1" id="156" region="-160" translation="-0.013801059755509382 -0.13110878745909305 0.19241766819445416" universe="7"/>
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+    <surface id="270" type="sphere" coeffs="0.1239423066569788 -0.19150287059104332 -0.06583818749209458 0.04225"/>
+    <surface id="271" type="sphere" coeffs="0.0013087859341976982 -0.06327594480884835 -0.05382522074205143 0.04225"/>
+    <surface id="272" type="sphere" coeffs="0.11058883669906516 -0.038954175820645864 0.16834558789033005 0.04225"/>
+    <surface id="273" type="sphere" coeffs="0.11058883669906516 -0.038954175820645864 -0.16498774544300332 0.04225"/>
+    <surface id="274" type="sphere" coeffs="-0.02657010065724863 0.013144978841080679 0.050587944514051575 0.04225"/>
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
     <particles>100</particles>
     <batches>4</batches>
     <inactive>0</inactive>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="point">
         <parameters>0.0 0.0 0.0</parameters>
       </space>
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true.dat b/tests/regression_tests/unstructured_mesh/inputs_true.dat
index 07486d3e0..e7a485b4d 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true.dat
@@ -1,54 +1,54 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1" name="fuel">
-      <density units="g/cc" value="4.5"/>
-      <nuclide ao="1.0" name="U235"/>
+    <material id="1" name="fuel" depletable="true">
+      <density value="4.5" units="g/cc"/>
+      <nuclide name="U235" ao="1.0"/>
     </material>
     <material id="2" name="zircaloy">
-      <density units="g/cc" value="5.77"/>
-      <nuclide ao="0.5145" name="Zr90"/>
-      <nuclide ao="0.1122" name="Zr91"/>
-      <nuclide ao="0.1715" name="Zr92"/>
-      <nuclide ao="0.1738" name="Zr94"/>
-      <nuclide ao="0.028" name="Zr96"/>
+      <density value="5.77" units="g/cc"/>
+      <nuclide name="Zr90" ao="0.5145"/>
+      <nuclide name="Zr91" ao="0.1122"/>
+      <nuclide name="Zr92" ao="0.1715"/>
+      <nuclide name="Zr94" ao="0.1738"/>
+      <nuclide name="Zr96" ao="0.028"/>
     </material>
     <material id="3" name="water">
-      <density units="atom/b-cm" value="0.07416"/>
-      <nuclide ao="2.0" name="H1"/>
-      <nuclide ao="1.0" name="O16"/>
+      <density value="0.07416" units="atom/b-cm"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="fuel" region="1 -2 3 -4 5 -6" universe="1"/>
-    <cell id="2" material="2" name="clad" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1"/>
-    <cell id="3" material="3" name="water" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1"/>
-    <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane"/>
-    <surface coeffs="5.0" id="2" name="maximum x" type="x-plane"/>
-    <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane"/>
-    <surface coeffs="5.0" id="4" name="maximum y" type="y-plane"/>
-    <surface coeffs="-5.0" id="5" name="minimum z" type="z-plane"/>
-    <surface coeffs="5.0" id="6" name="maximum z" type="z-plane"/>
-    <surface coeffs="-6.0" id="7" name="minimum x" type="x-plane"/>
-    <surface coeffs="6.0" id="8" name="maximum x" type="x-plane"/>
-    <surface coeffs="-6.0" id="9" name="minimum y" type="y-plane"/>
-    <surface coeffs="6.0" id="10" name="maximum y" type="y-plane"/>
-    <surface coeffs="-6.0" id="11" name="minimum z" type="z-plane"/>
-    <surface coeffs="6.0" id="12" name="maximum z" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="-10.0" id="13" name="minimum x" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="10.0" id="14" name="maximum x" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="-10.0" id="15" name="minimum y" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="10.0" id="16" name="maximum y" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="-10.0" id="17" name="minimum z" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="10.0" id="18" name="maximum z" type="z-plane"/>
+    <cell id="1" name="fuel" material="1" region="1 -2 3 -4 5 -6" universe="1"/>
+    <cell id="2" name="clad" material="2" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1"/>
+    <cell id="3" name="water" material="3" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1"/>
+    <surface id="1" name="minimum x" type="x-plane" coeffs="-5.0"/>
+    <surface id="2" name="maximum x" type="x-plane" coeffs="5.0"/>
+    <surface id="3" name="minimum y" type="y-plane" coeffs="-5.0"/>
+    <surface id="4" name="maximum y" type="y-plane" coeffs="5.0"/>
+    <surface id="5" name="minimum z" type="z-plane" coeffs="-5.0"/>
+    <surface id="6" name="maximum z" type="z-plane" coeffs="5.0"/>
+    <surface id="7" name="minimum x" type="x-plane" coeffs="-6.0"/>
+    <surface id="8" name="maximum x" type="x-plane" coeffs="6.0"/>
+    <surface id="9" name="minimum y" type="y-plane" coeffs="-6.0"/>
+    <surface id="10" name="maximum y" type="y-plane" coeffs="6.0"/>
+    <surface id="11" name="minimum z" type="z-plane" coeffs="-6.0"/>
+    <surface id="12" name="maximum z" type="z-plane" coeffs="6.0"/>
+    <surface id="13" name="minimum x" type="x-plane" boundary="vacuum" coeffs="-10.0"/>
+    <surface id="14" name="maximum x" type="x-plane" boundary="vacuum" coeffs="10.0"/>
+    <surface id="15" name="minimum y" type="y-plane" boundary="vacuum" coeffs="-10.0"/>
+    <surface id="16" name="maximum y" type="y-plane" boundary="vacuum" coeffs="10.0"/>
+    <surface id="17" name="minimum z" type="z-plane" boundary="vacuum" coeffs="-10.0"/>
+    <surface id="18" name="maximum z" type="z-plane" boundary="vacuum" coeffs="10.0"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
     <particles>1000</particles>
     <batches>10</batches>
-    <source particle="neutron" strength="1.0" type="independent">
-      <space origin="0.0 0.0 0.0" type="spherical">
-        <r parameters="0.0 0.0" type="uniform"/>
+    <source type="independent" strength="1.0" particle="neutron">
+      <space type="spherical" origin="0.0 0.0 0.0">
+        <r type="uniform" parameters="0.0 0.0"/>
         <cos_theta type="discrete">
           <parameters>1.0 1.0</parameters>
         </cos_theta>
@@ -67,7 +67,7 @@
       <lower_left>-10.0 -10.0 -10.0</lower_left>
       <upper_right>10.0 10.0 10.0</upper_right>
     </mesh>
-    <mesh id="2" library="libmesh" type="unstructured">
+    <mesh id="2" type="unstructured" library="libmesh">
       <filename>test_mesh_hexes.e</filename>
     </mesh>
     <filter id="1" type="mesh">
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true0.dat b/tests/regression_tests/unstructured_mesh/inputs_true0.dat
index c6b28d890..2508c25b3 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true0.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true0.dat
@@ -1,54 +1,54 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1" name="fuel">
-      <density units="g/cc" value="4.5"/>
-      <nuclide ao="1.0" name="U235"/>
+    <material id="1" name="fuel" depletable="true">
+      <density value="4.5" units="g/cc"/>
+      <nuclide name="U235" ao="1.0"/>
     </material>
     <material id="2" name="zircaloy">
-      <density units="g/cc" value="5.77"/>
-      <nuclide ao="0.5145" name="Zr90"/>
-      <nuclide ao="0.1122" name="Zr91"/>
-      <nuclide ao="0.1715" name="Zr92"/>
-      <nuclide ao="0.1738" name="Zr94"/>
-      <nuclide ao="0.028" name="Zr96"/>
+      <density value="5.77" units="g/cc"/>
+      <nuclide name="Zr90" ao="0.5145"/>
+      <nuclide name="Zr91" ao="0.1122"/>
+      <nuclide name="Zr92" ao="0.1715"/>
+      <nuclide name="Zr94" ao="0.1738"/>
+      <nuclide name="Zr96" ao="0.028"/>
     </material>
     <material id="3" name="water">
-      <density units="atom/b-cm" value="0.07416"/>
-      <nuclide ao="2.0" name="H1"/>
-      <nuclide ao="1.0" name="O16"/>
+      <density value="0.07416" units="atom/b-cm"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="fuel" region="1 -2 3 -4 5 -6" universe="1"/>
-    <cell id="2" material="2" name="clad" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1"/>
-    <cell id="3" material="3" name="water" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1"/>
-    <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane"/>
-    <surface coeffs="5.0" id="2" name="maximum x" type="x-plane"/>
-    <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane"/>
-    <surface coeffs="5.0" id="4" name="maximum y" type="y-plane"/>
-    <surface coeffs="-5.0" id="5" name="minimum z" type="z-plane"/>
-    <surface coeffs="5.0" id="6" name="maximum z" type="z-plane"/>
-    <surface coeffs="-6.0" id="7" name="minimum x" type="x-plane"/>
-    <surface coeffs="6.0" id="8" name="maximum x" type="x-plane"/>
-    <surface coeffs="-6.0" id="9" name="minimum y" type="y-plane"/>
-    <surface coeffs="6.0" id="10" name="maximum y" type="y-plane"/>
-    <surface coeffs="-6.0" id="11" name="minimum z" type="z-plane"/>
-    <surface coeffs="6.0" id="12" name="maximum z" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="-15.0" id="13" name="minimum x" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="15.0" id="14" name="maximum x" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="-15.0" id="15" name="minimum y" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="15.0" id="16" name="maximum y" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="-15.0" id="17" name="minimum z" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="15.0" id="18" name="maximum z" type="z-plane"/>
+    <cell id="1" name="fuel" material="1" region="1 -2 3 -4 5 -6" universe="1"/>
+    <cell id="2" name="clad" material="2" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1"/>
+    <cell id="3" name="water" material="3" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1"/>
+    <surface id="1" name="minimum x" type="x-plane" coeffs="-5.0"/>
+    <surface id="2" name="maximum x" type="x-plane" coeffs="5.0"/>
+    <surface id="3" name="minimum y" type="y-plane" coeffs="-5.0"/>
+    <surface id="4" name="maximum y" type="y-plane" coeffs="5.0"/>
+    <surface id="5" name="minimum z" type="z-plane" coeffs="-5.0"/>
+    <surface id="6" name="maximum z" type="z-plane" coeffs="5.0"/>
+    <surface id="7" name="minimum x" type="x-plane" coeffs="-6.0"/>
+    <surface id="8" name="maximum x" type="x-plane" coeffs="6.0"/>
+    <surface id="9" name="minimum y" type="y-plane" coeffs="-6.0"/>
+    <surface id="10" name="maximum y" type="y-plane" coeffs="6.0"/>
+    <surface id="11" name="minimum z" type="z-plane" coeffs="-6.0"/>
+    <surface id="12" name="maximum z" type="z-plane" coeffs="6.0"/>
+    <surface id="13" name="minimum x" type="x-plane" boundary="vacuum" coeffs="-15.0"/>
+    <surface id="14" name="maximum x" type="x-plane" boundary="vacuum" coeffs="15.0"/>
+    <surface id="15" name="minimum y" type="y-plane" boundary="vacuum" coeffs="-15.0"/>
+    <surface id="16" name="maximum y" type="y-plane" boundary="vacuum" coeffs="15.0"/>
+    <surface id="17" name="minimum z" type="z-plane" boundary="vacuum" coeffs="-15.0"/>
+    <surface id="18" name="maximum z" type="z-plane" boundary="vacuum" coeffs="15.0"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
     <particles>1000</particles>
     <batches>10</batches>
-    <source particle="neutron" strength="1.0" type="independent">
-      <space origin="0.0 0.0 0.0" type="spherical">
-        <r parameters="0.0 0.0" type="uniform"/>
+    <source type="independent" strength="1.0" particle="neutron">
+      <space type="spherical" origin="0.0 0.0 0.0">
+        <r type="uniform" parameters="0.0 0.0"/>
         <cos_theta type="discrete">
           <parameters>1.0 1.0</parameters>
         </cos_theta>
@@ -67,7 +67,7 @@
       <lower_left>-10.0 -10.0 -10.0</lower_left>
       <upper_right>10.0 10.0 10.0</upper_right>
     </mesh>
-    <mesh id="2" library="libmesh" type="unstructured">
+    <mesh id="2" type="unstructured" library="libmesh">
       <filename>test_mesh_tets_w_holes.e</filename>
     </mesh>
     <filter id="1" type="mesh">
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true1.dat b/tests/regression_tests/unstructured_mesh/inputs_true1.dat
index 40183c89b..04bbdb4b2 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true1.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true1.dat
@@ -1,54 +1,54 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1" name="fuel">
-      <density units="g/cc" value="4.5"/>
-      <nuclide ao="1.0" name="U235"/>
+    <material id="1" name="fuel" depletable="true">
+      <density value="4.5" units="g/cc"/>
+      <nuclide name="U235" ao="1.0"/>
     </material>
     <material id="2" name="zircaloy">
-      <density units="g/cc" value="5.77"/>
-      <nuclide ao="0.5145" name="Zr90"/>
-      <nuclide ao="0.1122" name="Zr91"/>
-      <nuclide ao="0.1715" name="Zr92"/>
-      <nuclide ao="0.1738" name="Zr94"/>
-      <nuclide ao="0.028" name="Zr96"/>
+      <density value="5.77" units="g/cc"/>
+      <nuclide name="Zr90" ao="0.5145"/>
+      <nuclide name="Zr91" ao="0.1122"/>
+      <nuclide name="Zr92" ao="0.1715"/>
+      <nuclide name="Zr94" ao="0.1738"/>
+      <nuclide name="Zr96" ao="0.028"/>
     </material>
     <material id="3" name="water">
-      <density units="atom/b-cm" value="0.07416"/>
-      <nuclide ao="2.0" name="H1"/>
-      <nuclide ao="1.0" name="O16"/>
+      <density value="0.07416" units="atom/b-cm"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="fuel" region="1 -2 3 -4 5 -6" universe="1"/>
-    <cell id="2" material="2" name="clad" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1"/>
-    <cell id="3" material="3" name="water" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1"/>
-    <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane"/>
-    <surface coeffs="5.0" id="2" name="maximum x" type="x-plane"/>
-    <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane"/>
-    <surface coeffs="5.0" id="4" name="maximum y" type="y-plane"/>
-    <surface coeffs="-5.0" id="5" name="minimum z" type="z-plane"/>
-    <surface coeffs="5.0" id="6" name="maximum z" type="z-plane"/>
-    <surface coeffs="-6.0" id="7" name="minimum x" type="x-plane"/>
-    <surface coeffs="6.0" id="8" name="maximum x" type="x-plane"/>
-    <surface coeffs="-6.0" id="9" name="minimum y" type="y-plane"/>
-    <surface coeffs="6.0" id="10" name="maximum y" type="y-plane"/>
-    <surface coeffs="-6.0" id="11" name="minimum z" type="z-plane"/>
-    <surface coeffs="6.0" id="12" name="maximum z" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="-15.0" id="13" name="minimum x" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="15.0" id="14" name="maximum x" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="-15.0" id="15" name="minimum y" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="15.0" id="16" name="maximum y" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="-15.0" id="17" name="minimum z" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="15.0" id="18" name="maximum z" type="z-plane"/>
+    <cell id="1" name="fuel" material="1" region="1 -2 3 -4 5 -6" universe="1"/>
+    <cell id="2" name="clad" material="2" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1"/>
+    <cell id="3" name="water" material="3" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1"/>
+    <surface id="1" name="minimum x" type="x-plane" coeffs="-5.0"/>
+    <surface id="2" name="maximum x" type="x-plane" coeffs="5.0"/>
+    <surface id="3" name="minimum y" type="y-plane" coeffs="-5.0"/>
+    <surface id="4" name="maximum y" type="y-plane" coeffs="5.0"/>
+    <surface id="5" name="minimum z" type="z-plane" coeffs="-5.0"/>
+    <surface id="6" name="maximum z" type="z-plane" coeffs="5.0"/>
+    <surface id="7" name="minimum x" type="x-plane" coeffs="-6.0"/>
+    <surface id="8" name="maximum x" type="x-plane" coeffs="6.0"/>
+    <surface id="9" name="minimum y" type="y-plane" coeffs="-6.0"/>
+    <surface id="10" name="maximum y" type="y-plane" coeffs="6.0"/>
+    <surface id="11" name="minimum z" type="z-plane" coeffs="-6.0"/>
+    <surface id="12" name="maximum z" type="z-plane" coeffs="6.0"/>
+    <surface id="13" name="minimum x" type="x-plane" boundary="vacuum" coeffs="-15.0"/>
+    <surface id="14" name="maximum x" type="x-plane" boundary="vacuum" coeffs="15.0"/>
+    <surface id="15" name="minimum y" type="y-plane" boundary="vacuum" coeffs="-15.0"/>
+    <surface id="16" name="maximum y" type="y-plane" boundary="vacuum" coeffs="15.0"/>
+    <surface id="17" name="minimum z" type="z-plane" boundary="vacuum" coeffs="-15.0"/>
+    <surface id="18" name="maximum z" type="z-plane" boundary="vacuum" coeffs="15.0"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
     <particles>1000</particles>
     <batches>10</batches>
-    <source particle="neutron" strength="1.0" type="independent">
-      <space origin="0.0 0.0 0.0" type="spherical">
-        <r parameters="0.0 0.0" type="uniform"/>
+    <source type="independent" strength="1.0" particle="neutron">
+      <space type="spherical" origin="0.0 0.0 0.0">
+        <r type="uniform" parameters="0.0 0.0"/>
         <cos_theta type="discrete">
           <parameters>1.0 1.0</parameters>
         </cos_theta>
@@ -67,7 +67,7 @@
       <lower_left>-10.0 -10.0 -10.0</lower_left>
       <upper_right>10.0 10.0 10.0</upper_right>
     </mesh>
-    <mesh id="2" library="libmesh" type="unstructured">
+    <mesh id="2" type="unstructured" library="libmesh">
       <filename>test_mesh_tets.e</filename>
     </mesh>
     <filter id="1" type="mesh">
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true10.dat b/tests/regression_tests/unstructured_mesh/inputs_true10.dat
index 81dfbdc52..169f0a6b4 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true10.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true10.dat
@@ -1,54 +1,54 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1" name="fuel">
-      <density units="g/cc" value="4.5"/>
-      <nuclide ao="1.0" name="U235"/>
+    <material id="1" name="fuel" depletable="true">
+      <density value="4.5" units="g/cc"/>
+      <nuclide name="U235" ao="1.0"/>
     </material>
     <material id="2" name="zircaloy">
-      <density units="g/cc" value="5.77"/>
-      <nuclide ao="0.5145" name="Zr90"/>
-      <nuclide ao="0.1122" name="Zr91"/>
-      <nuclide ao="0.1715" name="Zr92"/>
-      <nuclide ao="0.1738" name="Zr94"/>
-      <nuclide ao="0.028" name="Zr96"/>
+      <density value="5.77" units="g/cc"/>
+      <nuclide name="Zr90" ao="0.5145"/>
+      <nuclide name="Zr91" ao="0.1122"/>
+      <nuclide name="Zr92" ao="0.1715"/>
+      <nuclide name="Zr94" ao="0.1738"/>
+      <nuclide name="Zr96" ao="0.028"/>
     </material>
     <material id="3" name="water">
-      <density units="atom/b-cm" value="0.07416"/>
-      <nuclide ao="2.0" name="H1"/>
-      <nuclide ao="1.0" name="O16"/>
+      <density value="0.07416" units="atom/b-cm"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="fuel" region="1 -2 3 -4 5 -6" universe="1"/>
-    <cell id="2" material="2" name="clad" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1"/>
-    <cell id="3" material="3" name="water" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1"/>
-    <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane"/>
-    <surface coeffs="5.0" id="2" name="maximum x" type="x-plane"/>
-    <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane"/>
-    <surface coeffs="5.0" id="4" name="maximum y" type="y-plane"/>
-    <surface coeffs="-5.0" id="5" name="minimum z" type="z-plane"/>
-    <surface coeffs="5.0" id="6" name="maximum z" type="z-plane"/>
-    <surface coeffs="-6.0" id="7" name="minimum x" type="x-plane"/>
-    <surface coeffs="6.0" id="8" name="maximum x" type="x-plane"/>
-    <surface coeffs="-6.0" id="9" name="minimum y" type="y-plane"/>
-    <surface coeffs="6.0" id="10" name="maximum y" type="y-plane"/>
-    <surface coeffs="-6.0" id="11" name="minimum z" type="z-plane"/>
-    <surface coeffs="6.0" id="12" name="maximum z" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="-10.0" id="13" name="minimum x" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="10.0" id="14" name="maximum x" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="-10.0" id="15" name="minimum y" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="10.0" id="16" name="maximum y" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="-10.0" id="17" name="minimum z" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="10.0" id="18" name="maximum z" type="z-plane"/>
+    <cell id="1" name="fuel" material="1" region="1 -2 3 -4 5 -6" universe="1"/>
+    <cell id="2" name="clad" material="2" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1"/>
+    <cell id="3" name="water" material="3" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1"/>
+    <surface id="1" name="minimum x" type="x-plane" coeffs="-5.0"/>
+    <surface id="2" name="maximum x" type="x-plane" coeffs="5.0"/>
+    <surface id="3" name="minimum y" type="y-plane" coeffs="-5.0"/>
+    <surface id="4" name="maximum y" type="y-plane" coeffs="5.0"/>
+    <surface id="5" name="minimum z" type="z-plane" coeffs="-5.0"/>
+    <surface id="6" name="maximum z" type="z-plane" coeffs="5.0"/>
+    <surface id="7" name="minimum x" type="x-plane" coeffs="-6.0"/>
+    <surface id="8" name="maximum x" type="x-plane" coeffs="6.0"/>
+    <surface id="9" name="minimum y" type="y-plane" coeffs="-6.0"/>
+    <surface id="10" name="maximum y" type="y-plane" coeffs="6.0"/>
+    <surface id="11" name="minimum z" type="z-plane" coeffs="-6.0"/>
+    <surface id="12" name="maximum z" type="z-plane" coeffs="6.0"/>
+    <surface id="13" name="minimum x" type="x-plane" boundary="vacuum" coeffs="-10.0"/>
+    <surface id="14" name="maximum x" type="x-plane" boundary="vacuum" coeffs="10.0"/>
+    <surface id="15" name="minimum y" type="y-plane" boundary="vacuum" coeffs="-10.0"/>
+    <surface id="16" name="maximum y" type="y-plane" boundary="vacuum" coeffs="10.0"/>
+    <surface id="17" name="minimum z" type="z-plane" boundary="vacuum" coeffs="-10.0"/>
+    <surface id="18" name="maximum z" type="z-plane" boundary="vacuum" coeffs="10.0"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
     <particles>1000</particles>
     <batches>10</batches>
-    <source particle="neutron" strength="1.0" type="independent">
-      <space origin="0.0 0.0 0.0" type="spherical">
-        <r parameters="0.0 0.0" type="uniform"/>
+    <source type="independent" strength="1.0" particle="neutron">
+      <space type="spherical" origin="0.0 0.0 0.0">
+        <r type="uniform" parameters="0.0 0.0"/>
         <cos_theta type="discrete">
           <parameters>1.0 1.0</parameters>
         </cos_theta>
@@ -67,7 +67,7 @@
       <lower_left>-10.0 -10.0 -10.0</lower_left>
       <upper_right>10.0 10.0 10.0</upper_right>
     </mesh>
-    <mesh id="2" library="moab" options="MAX_DEPTH=15;PLANE_SET=2" type="unstructured">
+    <mesh id="2" type="unstructured" library="moab" options="MAX_DEPTH=15;PLANE_SET=2">
       <filename>test_mesh_tets_w_holes.e</filename>
     </mesh>
     <filter id="1" type="mesh">
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true11.dat b/tests/regression_tests/unstructured_mesh/inputs_true11.dat
index b224a3ebc..8163750ca 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true11.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true11.dat
@@ -1,54 +1,54 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1" name="fuel">
-      <density units="g/cc" value="4.5"/>
-      <nuclide ao="1.0" name="U235"/>
+    <material id="1" name="fuel" depletable="true">
+      <density value="4.5" units="g/cc"/>
+      <nuclide name="U235" ao="1.0"/>
     </material>
     <material id="2" name="zircaloy">
-      <density units="g/cc" value="5.77"/>
-      <nuclide ao="0.5145" name="Zr90"/>
-      <nuclide ao="0.1122" name="Zr91"/>
-      <nuclide ao="0.1715" name="Zr92"/>
-      <nuclide ao="0.1738" name="Zr94"/>
-      <nuclide ao="0.028" name="Zr96"/>
+      <density value="5.77" units="g/cc"/>
+      <nuclide name="Zr90" ao="0.5145"/>
+      <nuclide name="Zr91" ao="0.1122"/>
+      <nuclide name="Zr92" ao="0.1715"/>
+      <nuclide name="Zr94" ao="0.1738"/>
+      <nuclide name="Zr96" ao="0.028"/>
     </material>
     <material id="3" name="water">
-      <density units="atom/b-cm" value="0.07416"/>
-      <nuclide ao="2.0" name="H1"/>
-      <nuclide ao="1.0" name="O16"/>
+      <density value="0.07416" units="atom/b-cm"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="fuel" region="1 -2 3 -4 5 -6" universe="1"/>
-    <cell id="2" material="2" name="clad" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1"/>
-    <cell id="3" material="3" name="water" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1"/>
-    <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane"/>
-    <surface coeffs="5.0" id="2" name="maximum x" type="x-plane"/>
-    <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane"/>
-    <surface coeffs="5.0" id="4" name="maximum y" type="y-plane"/>
-    <surface coeffs="-5.0" id="5" name="minimum z" type="z-plane"/>
-    <surface coeffs="5.0" id="6" name="maximum z" type="z-plane"/>
-    <surface coeffs="-6.0" id="7" name="minimum x" type="x-plane"/>
-    <surface coeffs="6.0" id="8" name="maximum x" type="x-plane"/>
-    <surface coeffs="-6.0" id="9" name="minimum y" type="y-plane"/>
-    <surface coeffs="6.0" id="10" name="maximum y" type="y-plane"/>
-    <surface coeffs="-6.0" id="11" name="minimum z" type="z-plane"/>
-    <surface coeffs="6.0" id="12" name="maximum z" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="-10.0" id="13" name="minimum x" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="10.0" id="14" name="maximum x" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="-10.0" id="15" name="minimum y" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="10.0" id="16" name="maximum y" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="-10.0" id="17" name="minimum z" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="10.0" id="18" name="maximum z" type="z-plane"/>
+    <cell id="1" name="fuel" material="1" region="1 -2 3 -4 5 -6" universe="1"/>
+    <cell id="2" name="clad" material="2" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1"/>
+    <cell id="3" name="water" material="3" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1"/>
+    <surface id="1" name="minimum x" type="x-plane" coeffs="-5.0"/>
+    <surface id="2" name="maximum x" type="x-plane" coeffs="5.0"/>
+    <surface id="3" name="minimum y" type="y-plane" coeffs="-5.0"/>
+    <surface id="4" name="maximum y" type="y-plane" coeffs="5.0"/>
+    <surface id="5" name="minimum z" type="z-plane" coeffs="-5.0"/>
+    <surface id="6" name="maximum z" type="z-plane" coeffs="5.0"/>
+    <surface id="7" name="minimum x" type="x-plane" coeffs="-6.0"/>
+    <surface id="8" name="maximum x" type="x-plane" coeffs="6.0"/>
+    <surface id="9" name="minimum y" type="y-plane" coeffs="-6.0"/>
+    <surface id="10" name="maximum y" type="y-plane" coeffs="6.0"/>
+    <surface id="11" name="minimum z" type="z-plane" coeffs="-6.0"/>
+    <surface id="12" name="maximum z" type="z-plane" coeffs="6.0"/>
+    <surface id="13" name="minimum x" type="x-plane" boundary="vacuum" coeffs="-10.0"/>
+    <surface id="14" name="maximum x" type="x-plane" boundary="vacuum" coeffs="10.0"/>
+    <surface id="15" name="minimum y" type="y-plane" boundary="vacuum" coeffs="-10.0"/>
+    <surface id="16" name="maximum y" type="y-plane" boundary="vacuum" coeffs="10.0"/>
+    <surface id="17" name="minimum z" type="z-plane" boundary="vacuum" coeffs="-10.0"/>
+    <surface id="18" name="maximum z" type="z-plane" boundary="vacuum" coeffs="10.0"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
     <particles>1000</particles>
     <batches>10</batches>
-    <source particle="neutron" strength="1.0" type="independent">
-      <space origin="0.0 0.0 0.0" type="spherical">
-        <r parameters="0.0 0.0" type="uniform"/>
+    <source type="independent" strength="1.0" particle="neutron">
+      <space type="spherical" origin="0.0 0.0 0.0">
+        <r type="uniform" parameters="0.0 0.0"/>
         <cos_theta type="discrete">
           <parameters>1.0 1.0</parameters>
         </cos_theta>
@@ -67,7 +67,7 @@
       <lower_left>-10.0 -10.0 -10.0</lower_left>
       <upper_right>10.0 10.0 10.0</upper_right>
     </mesh>
-    <mesh id="2" library="moab" options="MAX_DEPTH=15;PLANE_SET=2" type="unstructured">
+    <mesh id="2" type="unstructured" library="moab" options="MAX_DEPTH=15;PLANE_SET=2">
       <filename>test_mesh_tets.e</filename>
     </mesh>
     <filter id="1" type="mesh">
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true12.dat b/tests/regression_tests/unstructured_mesh/inputs_true12.dat
index a18aee627..be0655e98 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true12.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true12.dat
@@ -1,54 +1,54 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1" name="fuel">
-      <density units="g/cc" value="4.5"/>
-      <nuclide ao="1.0" name="U235"/>
+    <material id="1" name="fuel" depletable="true">
+      <density value="4.5" units="g/cc"/>
+      <nuclide name="U235" ao="1.0"/>
     </material>
     <material id="2" name="zircaloy">
-      <density units="g/cc" value="5.77"/>
-      <nuclide ao="0.5145" name="Zr90"/>
-      <nuclide ao="0.1122" name="Zr91"/>
-      <nuclide ao="0.1715" name="Zr92"/>
-      <nuclide ao="0.1738" name="Zr94"/>
-      <nuclide ao="0.028" name="Zr96"/>
+      <density value="5.77" units="g/cc"/>
+      <nuclide name="Zr90" ao="0.5145"/>
+      <nuclide name="Zr91" ao="0.1122"/>
+      <nuclide name="Zr92" ao="0.1715"/>
+      <nuclide name="Zr94" ao="0.1738"/>
+      <nuclide name="Zr96" ao="0.028"/>
     </material>
     <material id="3" name="water">
-      <density units="atom/b-cm" value="0.07416"/>
-      <nuclide ao="2.0" name="H1"/>
-      <nuclide ao="1.0" name="O16"/>
+      <density value="0.07416" units="atom/b-cm"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="fuel" region="1 -2 3 -4 5 -6" universe="1"/>
-    <cell id="2" material="2" name="clad" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1"/>
-    <cell id="3" material="3" name="water" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1"/>
-    <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane"/>
-    <surface coeffs="5.0" id="2" name="maximum x" type="x-plane"/>
-    <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane"/>
-    <surface coeffs="5.0" id="4" name="maximum y" type="y-plane"/>
-    <surface coeffs="-5.0" id="5" name="minimum z" type="z-plane"/>
-    <surface coeffs="5.0" id="6" name="maximum z" type="z-plane"/>
-    <surface coeffs="-6.0" id="7" name="minimum x" type="x-plane"/>
-    <surface coeffs="6.0" id="8" name="maximum x" type="x-plane"/>
-    <surface coeffs="-6.0" id="9" name="minimum y" type="y-plane"/>
-    <surface coeffs="6.0" id="10" name="maximum y" type="y-plane"/>
-    <surface coeffs="-6.0" id="11" name="minimum z" type="z-plane"/>
-    <surface coeffs="6.0" id="12" name="maximum z" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="-15.0" id="13" name="minimum x" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="15.0" id="14" name="maximum x" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="-15.0" id="15" name="minimum y" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="15.0" id="16" name="maximum y" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="-15.0" id="17" name="minimum z" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="15.0" id="18" name="maximum z" type="z-plane"/>
+    <cell id="1" name="fuel" material="1" region="1 -2 3 -4 5 -6" universe="1"/>
+    <cell id="2" name="clad" material="2" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1"/>
+    <cell id="3" name="water" material="3" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1"/>
+    <surface id="1" name="minimum x" type="x-plane" coeffs="-5.0"/>
+    <surface id="2" name="maximum x" type="x-plane" coeffs="5.0"/>
+    <surface id="3" name="minimum y" type="y-plane" coeffs="-5.0"/>
+    <surface id="4" name="maximum y" type="y-plane" coeffs="5.0"/>
+    <surface id="5" name="minimum z" type="z-plane" coeffs="-5.0"/>
+    <surface id="6" name="maximum z" type="z-plane" coeffs="5.0"/>
+    <surface id="7" name="minimum x" type="x-plane" coeffs="-6.0"/>
+    <surface id="8" name="maximum x" type="x-plane" coeffs="6.0"/>
+    <surface id="9" name="minimum y" type="y-plane" coeffs="-6.0"/>
+    <surface id="10" name="maximum y" type="y-plane" coeffs="6.0"/>
+    <surface id="11" name="minimum z" type="z-plane" coeffs="-6.0"/>
+    <surface id="12" name="maximum z" type="z-plane" coeffs="6.0"/>
+    <surface id="13" name="minimum x" type="x-plane" boundary="vacuum" coeffs="-15.0"/>
+    <surface id="14" name="maximum x" type="x-plane" boundary="vacuum" coeffs="15.0"/>
+    <surface id="15" name="minimum y" type="y-plane" boundary="vacuum" coeffs="-15.0"/>
+    <surface id="16" name="maximum y" type="y-plane" boundary="vacuum" coeffs="15.0"/>
+    <surface id="17" name="minimum z" type="z-plane" boundary="vacuum" coeffs="-15.0"/>
+    <surface id="18" name="maximum z" type="z-plane" boundary="vacuum" coeffs="15.0"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
     <particles>1000</particles>
     <batches>10</batches>
-    <source particle="neutron" strength="1.0" type="independent">
-      <space origin="0.0 0.0 0.0" type="spherical">
-        <r parameters="0.0 0.0" type="uniform"/>
+    <source type="independent" strength="1.0" particle="neutron">
+      <space type="spherical" origin="0.0 0.0 0.0">
+        <r type="uniform" parameters="0.0 0.0"/>
         <cos_theta type="discrete">
           <parameters>1.0 1.0</parameters>
         </cos_theta>
@@ -67,7 +67,7 @@
       <lower_left>-10.0 -10.0 -10.0</lower_left>
       <upper_right>10.0 10.0 10.0</upper_right>
     </mesh>
-    <mesh id="2" library="moab" options="MAX_DEPTH=15;PLANE_SET=2" type="unstructured">
+    <mesh id="2" type="unstructured" library="moab" options="MAX_DEPTH=15;PLANE_SET=2">
       <filename>test_mesh_tets_w_holes.e</filename>
     </mesh>
     <filter id="1" type="mesh">
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true13.dat b/tests/regression_tests/unstructured_mesh/inputs_true13.dat
index 0e9123c90..42c0cc122 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true13.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true13.dat
@@ -1,54 +1,54 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1" name="fuel">
-      <density units="g/cc" value="4.5"/>
-      <nuclide ao="1.0" name="U235"/>
+    <material id="1" name="fuel" depletable="true">
+      <density value="4.5" units="g/cc"/>
+      <nuclide name="U235" ao="1.0"/>
     </material>
     <material id="2" name="zircaloy">
-      <density units="g/cc" value="5.77"/>
-      <nuclide ao="0.5145" name="Zr90"/>
-      <nuclide ao="0.1122" name="Zr91"/>
-      <nuclide ao="0.1715" name="Zr92"/>
-      <nuclide ao="0.1738" name="Zr94"/>
-      <nuclide ao="0.028" name="Zr96"/>
+      <density value="5.77" units="g/cc"/>
+      <nuclide name="Zr90" ao="0.5145"/>
+      <nuclide name="Zr91" ao="0.1122"/>
+      <nuclide name="Zr92" ao="0.1715"/>
+      <nuclide name="Zr94" ao="0.1738"/>
+      <nuclide name="Zr96" ao="0.028"/>
     </material>
     <material id="3" name="water">
-      <density units="atom/b-cm" value="0.07416"/>
-      <nuclide ao="2.0" name="H1"/>
-      <nuclide ao="1.0" name="O16"/>
+      <density value="0.07416" units="atom/b-cm"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="fuel" region="1 -2 3 -4 5 -6" universe="1"/>
-    <cell id="2" material="2" name="clad" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1"/>
-    <cell id="3" material="3" name="water" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1"/>
-    <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane"/>
-    <surface coeffs="5.0" id="2" name="maximum x" type="x-plane"/>
-    <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane"/>
-    <surface coeffs="5.0" id="4" name="maximum y" type="y-plane"/>
-    <surface coeffs="-5.0" id="5" name="minimum z" type="z-plane"/>
-    <surface coeffs="5.0" id="6" name="maximum z" type="z-plane"/>
-    <surface coeffs="-6.0" id="7" name="minimum x" type="x-plane"/>
-    <surface coeffs="6.0" id="8" name="maximum x" type="x-plane"/>
-    <surface coeffs="-6.0" id="9" name="minimum y" type="y-plane"/>
-    <surface coeffs="6.0" id="10" name="maximum y" type="y-plane"/>
-    <surface coeffs="-6.0" id="11" name="minimum z" type="z-plane"/>
-    <surface coeffs="6.0" id="12" name="maximum z" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="-15.0" id="13" name="minimum x" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="15.0" id="14" name="maximum x" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="-15.0" id="15" name="minimum y" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="15.0" id="16" name="maximum y" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="-15.0" id="17" name="minimum z" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="15.0" id="18" name="maximum z" type="z-plane"/>
+    <cell id="1" name="fuel" material="1" region="1 -2 3 -4 5 -6" universe="1"/>
+    <cell id="2" name="clad" material="2" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1"/>
+    <cell id="3" name="water" material="3" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1"/>
+    <surface id="1" name="minimum x" type="x-plane" coeffs="-5.0"/>
+    <surface id="2" name="maximum x" type="x-plane" coeffs="5.0"/>
+    <surface id="3" name="minimum y" type="y-plane" coeffs="-5.0"/>
+    <surface id="4" name="maximum y" type="y-plane" coeffs="5.0"/>
+    <surface id="5" name="minimum z" type="z-plane" coeffs="-5.0"/>
+    <surface id="6" name="maximum z" type="z-plane" coeffs="5.0"/>
+    <surface id="7" name="minimum x" type="x-plane" coeffs="-6.0"/>
+    <surface id="8" name="maximum x" type="x-plane" coeffs="6.0"/>
+    <surface id="9" name="minimum y" type="y-plane" coeffs="-6.0"/>
+    <surface id="10" name="maximum y" type="y-plane" coeffs="6.0"/>
+    <surface id="11" name="minimum z" type="z-plane" coeffs="-6.0"/>
+    <surface id="12" name="maximum z" type="z-plane" coeffs="6.0"/>
+    <surface id="13" name="minimum x" type="x-plane" boundary="vacuum" coeffs="-15.0"/>
+    <surface id="14" name="maximum x" type="x-plane" boundary="vacuum" coeffs="15.0"/>
+    <surface id="15" name="minimum y" type="y-plane" boundary="vacuum" coeffs="-15.0"/>
+    <surface id="16" name="maximum y" type="y-plane" boundary="vacuum" coeffs="15.0"/>
+    <surface id="17" name="minimum z" type="z-plane" boundary="vacuum" coeffs="-15.0"/>
+    <surface id="18" name="maximum z" type="z-plane" boundary="vacuum" coeffs="15.0"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
     <particles>1000</particles>
     <batches>10</batches>
-    <source particle="neutron" strength="1.0" type="independent">
-      <space origin="0.0 0.0 0.0" type="spherical">
-        <r parameters="0.0 0.0" type="uniform"/>
+    <source type="independent" strength="1.0" particle="neutron">
+      <space type="spherical" origin="0.0 0.0 0.0">
+        <r type="uniform" parameters="0.0 0.0"/>
         <cos_theta type="discrete">
           <parameters>1.0 1.0</parameters>
         </cos_theta>
@@ -67,7 +67,7 @@
       <lower_left>-10.0 -10.0 -10.0</lower_left>
       <upper_right>10.0 10.0 10.0</upper_right>
     </mesh>
-    <mesh id="2" library="moab" options="MAX_DEPTH=15;PLANE_SET=2" type="unstructured">
+    <mesh id="2" type="unstructured" library="moab" options="MAX_DEPTH=15;PLANE_SET=2">
       <filename>test_mesh_tets.e</filename>
     </mesh>
     <filter id="1" type="mesh">
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true14.dat b/tests/regression_tests/unstructured_mesh/inputs_true14.dat
index 9d4db4904..a27c7445d 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true14.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true14.dat
@@ -1,54 +1,54 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1" name="fuel">
-      <density units="g/cc" value="4.5"/>
-      <nuclide ao="1.0" name="U235"/>
+    <material id="1" name="fuel" depletable="true">
+      <density value="4.5" units="g/cc"/>
+      <nuclide name="U235" ao="1.0"/>
     </material>
     <material id="2" name="zircaloy">
-      <density units="g/cc" value="5.77"/>
-      <nuclide ao="0.5145" name="Zr90"/>
-      <nuclide ao="0.1122" name="Zr91"/>
-      <nuclide ao="0.1715" name="Zr92"/>
-      <nuclide ao="0.1738" name="Zr94"/>
-      <nuclide ao="0.028" name="Zr96"/>
+      <density value="5.77" units="g/cc"/>
+      <nuclide name="Zr90" ao="0.5145"/>
+      <nuclide name="Zr91" ao="0.1122"/>
+      <nuclide name="Zr92" ao="0.1715"/>
+      <nuclide name="Zr94" ao="0.1738"/>
+      <nuclide name="Zr96" ao="0.028"/>
     </material>
     <material id="3" name="water">
-      <density units="atom/b-cm" value="0.07416"/>
-      <nuclide ao="2.0" name="H1"/>
-      <nuclide ao="1.0" name="O16"/>
+      <density value="0.07416" units="atom/b-cm"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="fuel" region="1 -2 3 -4 5 -6" universe="1"/>
-    <cell id="2" material="2" name="clad" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1"/>
-    <cell id="3" material="3" name="water" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1"/>
-    <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane"/>
-    <surface coeffs="5.0" id="2" name="maximum x" type="x-plane"/>
-    <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane"/>
-    <surface coeffs="5.0" id="4" name="maximum y" type="y-plane"/>
-    <surface coeffs="-5.0" id="5" name="minimum z" type="z-plane"/>
-    <surface coeffs="5.0" id="6" name="maximum z" type="z-plane"/>
-    <surface coeffs="-6.0" id="7" name="minimum x" type="x-plane"/>
-    <surface coeffs="6.0" id="8" name="maximum x" type="x-plane"/>
-    <surface coeffs="-6.0" id="9" name="minimum y" type="y-plane"/>
-    <surface coeffs="6.0" id="10" name="maximum y" type="y-plane"/>
-    <surface coeffs="-6.0" id="11" name="minimum z" type="z-plane"/>
-    <surface coeffs="6.0" id="12" name="maximum z" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="-10.0" id="13" name="minimum x" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="10.0" id="14" name="maximum x" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="-10.0" id="15" name="minimum y" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="10.0" id="16" name="maximum y" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="-10.0" id="17" name="minimum z" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="10.0" id="18" name="maximum z" type="z-plane"/>
+    <cell id="1" name="fuel" material="1" region="1 -2 3 -4 5 -6" universe="1"/>
+    <cell id="2" name="clad" material="2" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1"/>
+    <cell id="3" name="water" material="3" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1"/>
+    <surface id="1" name="minimum x" type="x-plane" coeffs="-5.0"/>
+    <surface id="2" name="maximum x" type="x-plane" coeffs="5.0"/>
+    <surface id="3" name="minimum y" type="y-plane" coeffs="-5.0"/>
+    <surface id="4" name="maximum y" type="y-plane" coeffs="5.0"/>
+    <surface id="5" name="minimum z" type="z-plane" coeffs="-5.0"/>
+    <surface id="6" name="maximum z" type="z-plane" coeffs="5.0"/>
+    <surface id="7" name="minimum x" type="x-plane" coeffs="-6.0"/>
+    <surface id="8" name="maximum x" type="x-plane" coeffs="6.0"/>
+    <surface id="9" name="minimum y" type="y-plane" coeffs="-6.0"/>
+    <surface id="10" name="maximum y" type="y-plane" coeffs="6.0"/>
+    <surface id="11" name="minimum z" type="z-plane" coeffs="-6.0"/>
+    <surface id="12" name="maximum z" type="z-plane" coeffs="6.0"/>
+    <surface id="13" name="minimum x" type="x-plane" boundary="vacuum" coeffs="-10.0"/>
+    <surface id="14" name="maximum x" type="x-plane" boundary="vacuum" coeffs="10.0"/>
+    <surface id="15" name="minimum y" type="y-plane" boundary="vacuum" coeffs="-10.0"/>
+    <surface id="16" name="maximum y" type="y-plane" boundary="vacuum" coeffs="10.0"/>
+    <surface id="17" name="minimum z" type="z-plane" boundary="vacuum" coeffs="-10.0"/>
+    <surface id="18" name="maximum z" type="z-plane" boundary="vacuum" coeffs="10.0"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
     <particles>1000</particles>
     <batches>10</batches>
-    <source particle="neutron" strength="1.0" type="independent">
-      <space origin="0.0 0.0 0.0" type="spherical">
-        <r parameters="0.0 0.0" type="uniform"/>
+    <source type="independent" strength="1.0" particle="neutron">
+      <space type="spherical" origin="0.0 0.0 0.0">
+        <r type="uniform" parameters="0.0 0.0"/>
         <cos_theta type="discrete">
           <parameters>1.0 1.0</parameters>
         </cos_theta>
@@ -67,7 +67,7 @@
       <lower_left>-10.0 -10.0 -10.0</lower_left>
       <upper_right>10.0 10.0 10.0</upper_right>
     </mesh>
-    <mesh id="2" library="moab" options="MAX_DEPTH=15;PLANE_SET=2" type="unstructured">
+    <mesh id="2" type="unstructured" library="moab" options="MAX_DEPTH=15;PLANE_SET=2">
       <filename>test_mesh_tets_w_holes.e</filename>
     </mesh>
     <filter id="1" type="mesh">
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true15.dat b/tests/regression_tests/unstructured_mesh/inputs_true15.dat
index eab97b952..c69bd15d0 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true15.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true15.dat
@@ -1,54 +1,54 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1" name="fuel">
-      <density units="g/cc" value="4.5"/>
-      <nuclide ao="1.0" name="U235"/>
+    <material id="1" name="fuel" depletable="true">
+      <density value="4.5" units="g/cc"/>
+      <nuclide name="U235" ao="1.0"/>
     </material>
     <material id="2" name="zircaloy">
-      <density units="g/cc" value="5.77"/>
-      <nuclide ao="0.5145" name="Zr90"/>
-      <nuclide ao="0.1122" name="Zr91"/>
-      <nuclide ao="0.1715" name="Zr92"/>
-      <nuclide ao="0.1738" name="Zr94"/>
-      <nuclide ao="0.028" name="Zr96"/>
+      <density value="5.77" units="g/cc"/>
+      <nuclide name="Zr90" ao="0.5145"/>
+      <nuclide name="Zr91" ao="0.1122"/>
+      <nuclide name="Zr92" ao="0.1715"/>
+      <nuclide name="Zr94" ao="0.1738"/>
+      <nuclide name="Zr96" ao="0.028"/>
     </material>
     <material id="3" name="water">
-      <density units="atom/b-cm" value="0.07416"/>
-      <nuclide ao="2.0" name="H1"/>
-      <nuclide ao="1.0" name="O16"/>
+      <density value="0.07416" units="atom/b-cm"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="fuel" region="1 -2 3 -4 5 -6" universe="1"/>
-    <cell id="2" material="2" name="clad" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1"/>
-    <cell id="3" material="3" name="water" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1"/>
-    <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane"/>
-    <surface coeffs="5.0" id="2" name="maximum x" type="x-plane"/>
-    <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane"/>
-    <surface coeffs="5.0" id="4" name="maximum y" type="y-plane"/>
-    <surface coeffs="-5.0" id="5" name="minimum z" type="z-plane"/>
-    <surface coeffs="5.0" id="6" name="maximum z" type="z-plane"/>
-    <surface coeffs="-6.0" id="7" name="minimum x" type="x-plane"/>
-    <surface coeffs="6.0" id="8" name="maximum x" type="x-plane"/>
-    <surface coeffs="-6.0" id="9" name="minimum y" type="y-plane"/>
-    <surface coeffs="6.0" id="10" name="maximum y" type="y-plane"/>
-    <surface coeffs="-6.0" id="11" name="minimum z" type="z-plane"/>
-    <surface coeffs="6.0" id="12" name="maximum z" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="-10.0" id="13" name="minimum x" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="10.0" id="14" name="maximum x" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="-10.0" id="15" name="minimum y" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="10.0" id="16" name="maximum y" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="-10.0" id="17" name="minimum z" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="10.0" id="18" name="maximum z" type="z-plane"/>
+    <cell id="1" name="fuel" material="1" region="1 -2 3 -4 5 -6" universe="1"/>
+    <cell id="2" name="clad" material="2" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1"/>
+    <cell id="3" name="water" material="3" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1"/>
+    <surface id="1" name="minimum x" type="x-plane" coeffs="-5.0"/>
+    <surface id="2" name="maximum x" type="x-plane" coeffs="5.0"/>
+    <surface id="3" name="minimum y" type="y-plane" coeffs="-5.0"/>
+    <surface id="4" name="maximum y" type="y-plane" coeffs="5.0"/>
+    <surface id="5" name="minimum z" type="z-plane" coeffs="-5.0"/>
+    <surface id="6" name="maximum z" type="z-plane" coeffs="5.0"/>
+    <surface id="7" name="minimum x" type="x-plane" coeffs="-6.0"/>
+    <surface id="8" name="maximum x" type="x-plane" coeffs="6.0"/>
+    <surface id="9" name="minimum y" type="y-plane" coeffs="-6.0"/>
+    <surface id="10" name="maximum y" type="y-plane" coeffs="6.0"/>
+    <surface id="11" name="minimum z" type="z-plane" coeffs="-6.0"/>
+    <surface id="12" name="maximum z" type="z-plane" coeffs="6.0"/>
+    <surface id="13" name="minimum x" type="x-plane" boundary="vacuum" coeffs="-10.0"/>
+    <surface id="14" name="maximum x" type="x-plane" boundary="vacuum" coeffs="10.0"/>
+    <surface id="15" name="minimum y" type="y-plane" boundary="vacuum" coeffs="-10.0"/>
+    <surface id="16" name="maximum y" type="y-plane" boundary="vacuum" coeffs="10.0"/>
+    <surface id="17" name="minimum z" type="z-plane" boundary="vacuum" coeffs="-10.0"/>
+    <surface id="18" name="maximum z" type="z-plane" boundary="vacuum" coeffs="10.0"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
     <particles>1000</particles>
     <batches>10</batches>
-    <source particle="neutron" strength="1.0" type="independent">
-      <space origin="0.0 0.0 0.0" type="spherical">
-        <r parameters="0.0 0.0" type="uniform"/>
+    <source type="independent" strength="1.0" particle="neutron">
+      <space type="spherical" origin="0.0 0.0 0.0">
+        <r type="uniform" parameters="0.0 0.0"/>
         <cos_theta type="discrete">
           <parameters>1.0 1.0</parameters>
         </cos_theta>
@@ -67,7 +67,7 @@
       <lower_left>-10.0 -10.0 -10.0</lower_left>
       <upper_right>10.0 10.0 10.0</upper_right>
     </mesh>
-    <mesh id="2" library="moab" options="MAX_DEPTH=15;PLANE_SET=2" type="unstructured">
+    <mesh id="2" type="unstructured" library="moab" options="MAX_DEPTH=15;PLANE_SET=2">
       <filename>test_mesh_tets.e</filename>
     </mesh>
     <filter id="1" type="mesh">
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true2.dat b/tests/regression_tests/unstructured_mesh/inputs_true2.dat
index 3521ac7b8..ba9d477b5 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true2.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true2.dat
@@ -1,54 +1,54 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1" name="fuel">
-      <density units="g/cc" value="4.5"/>
-      <nuclide ao="1.0" name="U235"/>
+    <material id="1" name="fuel" depletable="true">
+      <density value="4.5" units="g/cc"/>
+      <nuclide name="U235" ao="1.0"/>
     </material>
     <material id="2" name="zircaloy">
-      <density units="g/cc" value="5.77"/>
-      <nuclide ao="0.5145" name="Zr90"/>
-      <nuclide ao="0.1122" name="Zr91"/>
-      <nuclide ao="0.1715" name="Zr92"/>
-      <nuclide ao="0.1738" name="Zr94"/>
-      <nuclide ao="0.028" name="Zr96"/>
+      <density value="5.77" units="g/cc"/>
+      <nuclide name="Zr90" ao="0.5145"/>
+      <nuclide name="Zr91" ao="0.1122"/>
+      <nuclide name="Zr92" ao="0.1715"/>
+      <nuclide name="Zr94" ao="0.1738"/>
+      <nuclide name="Zr96" ao="0.028"/>
     </material>
     <material id="3" name="water">
-      <density units="atom/b-cm" value="0.07416"/>
-      <nuclide ao="2.0" name="H1"/>
-      <nuclide ao="1.0" name="O16"/>
+      <density value="0.07416" units="atom/b-cm"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="fuel" region="1 -2 3 -4 5 -6" universe="1"/>
-    <cell id="2" material="2" name="clad" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1"/>
-    <cell id="3" material="3" name="water" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1"/>
-    <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane"/>
-    <surface coeffs="5.0" id="2" name="maximum x" type="x-plane"/>
-    <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane"/>
-    <surface coeffs="5.0" id="4" name="maximum y" type="y-plane"/>
-    <surface coeffs="-5.0" id="5" name="minimum z" type="z-plane"/>
-    <surface coeffs="5.0" id="6" name="maximum z" type="z-plane"/>
-    <surface coeffs="-6.0" id="7" name="minimum x" type="x-plane"/>
-    <surface coeffs="6.0" id="8" name="maximum x" type="x-plane"/>
-    <surface coeffs="-6.0" id="9" name="minimum y" type="y-plane"/>
-    <surface coeffs="6.0" id="10" name="maximum y" type="y-plane"/>
-    <surface coeffs="-6.0" id="11" name="minimum z" type="z-plane"/>
-    <surface coeffs="6.0" id="12" name="maximum z" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="-10.0" id="13" name="minimum x" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="10.0" id="14" name="maximum x" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="-10.0" id="15" name="minimum y" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="10.0" id="16" name="maximum y" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="-10.0" id="17" name="minimum z" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="10.0" id="18" name="maximum z" type="z-plane"/>
+    <cell id="1" name="fuel" material="1" region="1 -2 3 -4 5 -6" universe="1"/>
+    <cell id="2" name="clad" material="2" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1"/>
+    <cell id="3" name="water" material="3" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1"/>
+    <surface id="1" name="minimum x" type="x-plane" coeffs="-5.0"/>
+    <surface id="2" name="maximum x" type="x-plane" coeffs="5.0"/>
+    <surface id="3" name="minimum y" type="y-plane" coeffs="-5.0"/>
+    <surface id="4" name="maximum y" type="y-plane" coeffs="5.0"/>
+    <surface id="5" name="minimum z" type="z-plane" coeffs="-5.0"/>
+    <surface id="6" name="maximum z" type="z-plane" coeffs="5.0"/>
+    <surface id="7" name="minimum x" type="x-plane" coeffs="-6.0"/>
+    <surface id="8" name="maximum x" type="x-plane" coeffs="6.0"/>
+    <surface id="9" name="minimum y" type="y-plane" coeffs="-6.0"/>
+    <surface id="10" name="maximum y" type="y-plane" coeffs="6.0"/>
+    <surface id="11" name="minimum z" type="z-plane" coeffs="-6.0"/>
+    <surface id="12" name="maximum z" type="z-plane" coeffs="6.0"/>
+    <surface id="13" name="minimum x" type="x-plane" boundary="vacuum" coeffs="-10.0"/>
+    <surface id="14" name="maximum x" type="x-plane" boundary="vacuum" coeffs="10.0"/>
+    <surface id="15" name="minimum y" type="y-plane" boundary="vacuum" coeffs="-10.0"/>
+    <surface id="16" name="maximum y" type="y-plane" boundary="vacuum" coeffs="10.0"/>
+    <surface id="17" name="minimum z" type="z-plane" boundary="vacuum" coeffs="-10.0"/>
+    <surface id="18" name="maximum z" type="z-plane" boundary="vacuum" coeffs="10.0"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
     <particles>1000</particles>
     <batches>10</batches>
-    <source particle="neutron" strength="1.0" type="independent">
-      <space origin="0.0 0.0 0.0" type="spherical">
-        <r parameters="0.0 0.0" type="uniform"/>
+    <source type="independent" strength="1.0" particle="neutron">
+      <space type="spherical" origin="0.0 0.0 0.0">
+        <r type="uniform" parameters="0.0 0.0"/>
         <cos_theta type="discrete">
           <parameters>1.0 1.0</parameters>
         </cos_theta>
@@ -67,7 +67,7 @@
       <lower_left>-10.0 -10.0 -10.0</lower_left>
       <upper_right>10.0 10.0 10.0</upper_right>
     </mesh>
-    <mesh id="2" library="libmesh" type="unstructured">
+    <mesh id="2" type="unstructured" library="libmesh">
       <filename>test_mesh_tets_w_holes.e</filename>
     </mesh>
     <filter id="1" type="mesh">
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true3.dat b/tests/regression_tests/unstructured_mesh/inputs_true3.dat
index a376b401d..d840bfa09 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true3.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true3.dat
@@ -1,54 +1,54 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1" name="fuel">
-      <density units="g/cc" value="4.5"/>
-      <nuclide ao="1.0" name="U235"/>
+    <material id="1" name="fuel" depletable="true">
+      <density value="4.5" units="g/cc"/>
+      <nuclide name="U235" ao="1.0"/>
     </material>
     <material id="2" name="zircaloy">
-      <density units="g/cc" value="5.77"/>
-      <nuclide ao="0.5145" name="Zr90"/>
-      <nuclide ao="0.1122" name="Zr91"/>
-      <nuclide ao="0.1715" name="Zr92"/>
-      <nuclide ao="0.1738" name="Zr94"/>
-      <nuclide ao="0.028" name="Zr96"/>
+      <density value="5.77" units="g/cc"/>
+      <nuclide name="Zr90" ao="0.5145"/>
+      <nuclide name="Zr91" ao="0.1122"/>
+      <nuclide name="Zr92" ao="0.1715"/>
+      <nuclide name="Zr94" ao="0.1738"/>
+      <nuclide name="Zr96" ao="0.028"/>
     </material>
     <material id="3" name="water">
-      <density units="atom/b-cm" value="0.07416"/>
-      <nuclide ao="2.0" name="H1"/>
-      <nuclide ao="1.0" name="O16"/>
+      <density value="0.07416" units="atom/b-cm"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="fuel" region="1 -2 3 -4 5 -6" universe="1"/>
-    <cell id="2" material="2" name="clad" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1"/>
-    <cell id="3" material="3" name="water" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1"/>
-    <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane"/>
-    <surface coeffs="5.0" id="2" name="maximum x" type="x-plane"/>
-    <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane"/>
-    <surface coeffs="5.0" id="4" name="maximum y" type="y-plane"/>
-    <surface coeffs="-5.0" id="5" name="minimum z" type="z-plane"/>
-    <surface coeffs="5.0" id="6" name="maximum z" type="z-plane"/>
-    <surface coeffs="-6.0" id="7" name="minimum x" type="x-plane"/>
-    <surface coeffs="6.0" id="8" name="maximum x" type="x-plane"/>
-    <surface coeffs="-6.0" id="9" name="minimum y" type="y-plane"/>
-    <surface coeffs="6.0" id="10" name="maximum y" type="y-plane"/>
-    <surface coeffs="-6.0" id="11" name="minimum z" type="z-plane"/>
-    <surface coeffs="6.0" id="12" name="maximum z" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="-10.0" id="13" name="minimum x" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="10.0" id="14" name="maximum x" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="-10.0" id="15" name="minimum y" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="10.0" id="16" name="maximum y" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="-10.0" id="17" name="minimum z" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="10.0" id="18" name="maximum z" type="z-plane"/>
+    <cell id="1" name="fuel" material="1" region="1 -2 3 -4 5 -6" universe="1"/>
+    <cell id="2" name="clad" material="2" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1"/>
+    <cell id="3" name="water" material="3" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1"/>
+    <surface id="1" name="minimum x" type="x-plane" coeffs="-5.0"/>
+    <surface id="2" name="maximum x" type="x-plane" coeffs="5.0"/>
+    <surface id="3" name="minimum y" type="y-plane" coeffs="-5.0"/>
+    <surface id="4" name="maximum y" type="y-plane" coeffs="5.0"/>
+    <surface id="5" name="minimum z" type="z-plane" coeffs="-5.0"/>
+    <surface id="6" name="maximum z" type="z-plane" coeffs="5.0"/>
+    <surface id="7" name="minimum x" type="x-plane" coeffs="-6.0"/>
+    <surface id="8" name="maximum x" type="x-plane" coeffs="6.0"/>
+    <surface id="9" name="minimum y" type="y-plane" coeffs="-6.0"/>
+    <surface id="10" name="maximum y" type="y-plane" coeffs="6.0"/>
+    <surface id="11" name="minimum z" type="z-plane" coeffs="-6.0"/>
+    <surface id="12" name="maximum z" type="z-plane" coeffs="6.0"/>
+    <surface id="13" name="minimum x" type="x-plane" boundary="vacuum" coeffs="-10.0"/>
+    <surface id="14" name="maximum x" type="x-plane" boundary="vacuum" coeffs="10.0"/>
+    <surface id="15" name="minimum y" type="y-plane" boundary="vacuum" coeffs="-10.0"/>
+    <surface id="16" name="maximum y" type="y-plane" boundary="vacuum" coeffs="10.0"/>
+    <surface id="17" name="minimum z" type="z-plane" boundary="vacuum" coeffs="-10.0"/>
+    <surface id="18" name="maximum z" type="z-plane" boundary="vacuum" coeffs="10.0"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
     <particles>1000</particles>
     <batches>10</batches>
-    <source particle="neutron" strength="1.0" type="independent">
-      <space origin="0.0 0.0 0.0" type="spherical">
-        <r parameters="0.0 0.0" type="uniform"/>
+    <source type="independent" strength="1.0" particle="neutron">
+      <space type="spherical" origin="0.0 0.0 0.0">
+        <r type="uniform" parameters="0.0 0.0"/>
         <cos_theta type="discrete">
           <parameters>1.0 1.0</parameters>
         </cos_theta>
@@ -67,7 +67,7 @@
       <lower_left>-10.0 -10.0 -10.0</lower_left>
       <upper_right>10.0 10.0 10.0</upper_right>
     </mesh>
-    <mesh id="2" library="libmesh" type="unstructured">
+    <mesh id="2" type="unstructured" library="libmesh">
       <filename>test_mesh_tets.e</filename>
     </mesh>
     <filter id="1" type="mesh">
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true4.dat b/tests/regression_tests/unstructured_mesh/inputs_true4.dat
index 843632fdd..db8e37177 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true4.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true4.dat
@@ -1,54 +1,54 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="13" name="fuel">
-      <density units="g/cc" value="4.5"/>
-      <nuclide ao="1.0" name="U235"/>
+    <material id="1" name="fuel" depletable="true">
+      <density value="4.5" units="g/cc"/>
+      <nuclide name="U235" ao="1.0"/>
     </material>
-    <material id="14" name="zircaloy">
-      <density units="g/cc" value="5.77"/>
-      <nuclide ao="0.5145" name="Zr90"/>
-      <nuclide ao="0.1122" name="Zr91"/>
-      <nuclide ao="0.1715" name="Zr92"/>
-      <nuclide ao="0.1738" name="Zr94"/>
-      <nuclide ao="0.028" name="Zr96"/>
+    <material id="2" name="zircaloy">
+      <density value="5.77" units="g/cc"/>
+      <nuclide name="Zr90" ao="0.5145"/>
+      <nuclide name="Zr91" ao="0.1122"/>
+      <nuclide name="Zr92" ao="0.1715"/>
+      <nuclide name="Zr94" ao="0.1738"/>
+      <nuclide name="Zr96" ao="0.028"/>
     </material>
-    <material id="15" name="water">
-      <density units="atom/b-cm" value="0.07416"/>
-      <nuclide ao="2.0" name="H1"/>
-      <nuclide ao="1.0" name="O16"/>
+    <material id="3" name="water">
+      <density value="0.07416" units="atom/b-cm"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
     </material>
   </materials>
   <geometry>
-    <cell id="13" material="13" name="fuel" region="73 -74 75 -76 77 -78" universe="5"/>
-    <cell id="14" material="14" name="clad" region="(-73 | 74 | -75 | 76 | -77 | 78) (79 -80 81 -82 83 -84)" universe="5"/>
-    <cell id="15" material="15" name="water" region="(-79 | 80 | -81 | 82 | -83 | 84) (85 -86 87 -88 89 -90)" universe="5"/>
-    <surface coeffs="-5.0" id="73" name="minimum x" type="x-plane"/>
-    <surface coeffs="5.0" id="74" name="maximum x" type="x-plane"/>
-    <surface coeffs="-5.0" id="75" name="minimum y" type="y-plane"/>
-    <surface coeffs="5.0" id="76" name="maximum y" type="y-plane"/>
-    <surface coeffs="-5.0" id="77" name="minimum z" type="z-plane"/>
-    <surface coeffs="5.0" id="78" name="maximum z" type="z-plane"/>
-    <surface coeffs="-6.0" id="79" name="minimum x" type="x-plane"/>
-    <surface coeffs="6.0" id="80" name="maximum x" type="x-plane"/>
-    <surface coeffs="-6.0" id="81" name="minimum y" type="y-plane"/>
-    <surface coeffs="6.0" id="82" name="maximum y" type="y-plane"/>
-    <surface coeffs="-6.0" id="83" name="minimum z" type="z-plane"/>
-    <surface coeffs="6.0" id="84" name="maximum z" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="-15" id="85" name="minimum x" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="15" id="86" name="maximum x" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="-15" id="87" name="minimum y" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="15" id="88" name="maximum y" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="-15" id="89" name="minimum z" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="15" id="90" name="maximum z" type="z-plane"/>
+    <cell id="1" name="fuel" material="1" region="1 -2 3 -4 5 -6" universe="1"/>
+    <cell id="2" name="clad" material="2" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1"/>
+    <cell id="3" name="water" material="3" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1"/>
+    <surface id="1" name="minimum x" type="x-plane" coeffs="-5.0"/>
+    <surface id="2" name="maximum x" type="x-plane" coeffs="5.0"/>
+    <surface id="3" name="minimum y" type="y-plane" coeffs="-5.0"/>
+    <surface id="4" name="maximum y" type="y-plane" coeffs="5.0"/>
+    <surface id="5" name="minimum z" type="z-plane" coeffs="-5.0"/>
+    <surface id="6" name="maximum z" type="z-plane" coeffs="5.0"/>
+    <surface id="7" name="minimum x" type="x-plane" coeffs="-6.0"/>
+    <surface id="8" name="maximum x" type="x-plane" coeffs="6.0"/>
+    <surface id="9" name="minimum y" type="y-plane" coeffs="-6.0"/>
+    <surface id="10" name="maximum y" type="y-plane" coeffs="6.0"/>
+    <surface id="11" name="minimum z" type="z-plane" coeffs="-6.0"/>
+    <surface id="12" name="maximum z" type="z-plane" coeffs="6.0"/>
+    <surface id="13" name="minimum x" type="x-plane" boundary="vacuum" coeffs="-15.0"/>
+    <surface id="14" name="maximum x" type="x-plane" boundary="vacuum" coeffs="15.0"/>
+    <surface id="15" name="minimum y" type="y-plane" boundary="vacuum" coeffs="-15.0"/>
+    <surface id="16" name="maximum y" type="y-plane" boundary="vacuum" coeffs="15.0"/>
+    <surface id="17" name="minimum z" type="z-plane" boundary="vacuum" coeffs="-15.0"/>
+    <surface id="18" name="maximum z" type="z-plane" boundary="vacuum" coeffs="15.0"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
-    <particles>100</particles>
+    <particles>1000</particles>
     <batches>10</batches>
-    <source strength="1.0">
-      <space origin="0.0 0.0 0.0" type="spherical">
-        <r parameters="0.0 0.0" type="uniform"/>
+    <source type="independent" strength="1.0" particle="neutron">
+      <space type="spherical" origin="0.0 0.0 0.0">
+        <r type="uniform" parameters="0.0 0.0"/>
         <cos_theta type="discrete">
           <parameters>1.0 1.0</parameters>
         </cos_theta>
@@ -56,34 +56,33 @@
           <parameters>0.0 1.0</parameters>
         </phi>
       </space>
-      <angle reference_uvw="-1.0 0.0 0.0" type="monodirectional"/>
       <energy type="discrete">
         <parameters>15000000.0 1.0</parameters>
       </energy>
     </source>
   </settings>
   <tallies>
-    <mesh id="9">
+    <mesh id="1">
       <dimension>10 10 10</dimension>
       <lower_left>-10.0 -10.0 -10.0</lower_left>
       <upper_right>10.0 10.0 10.0</upper_right>
     </mesh>
-    <mesh id="10" library="moab" type="unstructured">
-      <filename>test_mesh_tets_w_holes.exo</filename>
+    <mesh id="2" type="unstructured" library="libmesh">
+      <filename>test_mesh_tets_w_holes.e</filename>
     </mesh>
-    <filter id="9" type="mesh">
-      <bins>9</bins>
+    <filter id="1" type="mesh">
+      <bins>1</bins>
     </filter>
-    <filter id="10" type="mesh">
-      <bins>10</bins>
+    <filter id="2" type="mesh">
+      <bins>2</bins>
     </filter>
-    <tally id="9" name="regular mesh tally">
-      <filters>9</filters>
+    <tally id="1" name="regular mesh tally">
+      <filters>1</filters>
       <scores>flux</scores>
       <estimator>tracklength</estimator>
     </tally>
-    <tally id="10" name="unstructured mesh tally">
-      <filters>10</filters>
+    <tally id="2" name="unstructured mesh tally">
+      <filters>2</filters>
       <scores>flux</scores>
       <estimator>tracklength</estimator>
     </tally>
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true5.dat b/tests/regression_tests/unstructured_mesh/inputs_true5.dat
index dc9129d98..b2bbc7e16 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true5.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true5.dat
@@ -1,54 +1,54 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="16" name="fuel">
-      <density units="g/cc" value="4.5"/>
-      <nuclide ao="1.0" name="U235"/>
+    <material id="1" name="fuel" depletable="true">
+      <density value="4.5" units="g/cc"/>
+      <nuclide name="U235" ao="1.0"/>
     </material>
-    <material id="17" name="zircaloy">
-      <density units="g/cc" value="5.77"/>
-      <nuclide ao="0.5145" name="Zr90"/>
-      <nuclide ao="0.1122" name="Zr91"/>
-      <nuclide ao="0.1715" name="Zr92"/>
-      <nuclide ao="0.1738" name="Zr94"/>
-      <nuclide ao="0.028" name="Zr96"/>
+    <material id="2" name="zircaloy">
+      <density value="5.77" units="g/cc"/>
+      <nuclide name="Zr90" ao="0.5145"/>
+      <nuclide name="Zr91" ao="0.1122"/>
+      <nuclide name="Zr92" ao="0.1715"/>
+      <nuclide name="Zr94" ao="0.1738"/>
+      <nuclide name="Zr96" ao="0.028"/>
     </material>
-    <material id="18" name="water">
-      <density units="atom/b-cm" value="0.07416"/>
-      <nuclide ao="2.0" name="H1"/>
-      <nuclide ao="1.0" name="O16"/>
+    <material id="3" name="water">
+      <density value="0.07416" units="atom/b-cm"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
     </material>
   </materials>
   <geometry>
-    <cell id="16" material="16" name="fuel" region="91 -92 93 -94 95 -96" universe="6"/>
-    <cell id="17" material="17" name="clad" region="(-91 | 92 | -93 | 94 | -95 | 96) (97 -98 99 -100 101 -102)" universe="6"/>
-    <cell id="18" material="18" name="water" region="(-97 | 98 | -99 | 100 | -101 | 102) (103 -104 105 -106 107 -108)" universe="6"/>
-    <surface coeffs="-5.0" id="91" name="minimum x" type="x-plane"/>
-    <surface coeffs="5.0" id="92" name="maximum x" type="x-plane"/>
-    <surface coeffs="-5.0" id="93" name="minimum y" type="y-plane"/>
-    <surface coeffs="5.0" id="94" name="maximum y" type="y-plane"/>
-    <surface coeffs="-5.0" id="95" name="minimum z" type="z-plane"/>
-    <surface coeffs="5.0" id="96" name="maximum z" type="z-plane"/>
-    <surface coeffs="-6.0" id="97" name="minimum x" type="x-plane"/>
-    <surface coeffs="6.0" id="98" name="maximum x" type="x-plane"/>
-    <surface coeffs="-6.0" id="99" name="minimum y" type="y-plane"/>
-    <surface coeffs="6.0" id="100" name="maximum y" type="y-plane"/>
-    <surface coeffs="-6.0" id="101" name="minimum z" type="z-plane"/>
-    <surface coeffs="6.0" id="102" name="maximum z" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="-15" id="103" name="minimum x" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="15" id="104" name="maximum x" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="-15" id="105" name="minimum y" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="15" id="106" name="maximum y" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="-15" id="107" name="minimum z" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="15" id="108" name="maximum z" type="z-plane"/>
+    <cell id="1" name="fuel" material="1" region="1 -2 3 -4 5 -6" universe="1"/>
+    <cell id="2" name="clad" material="2" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1"/>
+    <cell id="3" name="water" material="3" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1"/>
+    <surface id="1" name="minimum x" type="x-plane" coeffs="-5.0"/>
+    <surface id="2" name="maximum x" type="x-plane" coeffs="5.0"/>
+    <surface id="3" name="minimum y" type="y-plane" coeffs="-5.0"/>
+    <surface id="4" name="maximum y" type="y-plane" coeffs="5.0"/>
+    <surface id="5" name="minimum z" type="z-plane" coeffs="-5.0"/>
+    <surface id="6" name="maximum z" type="z-plane" coeffs="5.0"/>
+    <surface id="7" name="minimum x" type="x-plane" coeffs="-6.0"/>
+    <surface id="8" name="maximum x" type="x-plane" coeffs="6.0"/>
+    <surface id="9" name="minimum y" type="y-plane" coeffs="-6.0"/>
+    <surface id="10" name="maximum y" type="y-plane" coeffs="6.0"/>
+    <surface id="11" name="minimum z" type="z-plane" coeffs="-6.0"/>
+    <surface id="12" name="maximum z" type="z-plane" coeffs="6.0"/>
+    <surface id="13" name="minimum x" type="x-plane" boundary="vacuum" coeffs="-15.0"/>
+    <surface id="14" name="maximum x" type="x-plane" boundary="vacuum" coeffs="15.0"/>
+    <surface id="15" name="minimum y" type="y-plane" boundary="vacuum" coeffs="-15.0"/>
+    <surface id="16" name="maximum y" type="y-plane" boundary="vacuum" coeffs="15.0"/>
+    <surface id="17" name="minimum z" type="z-plane" boundary="vacuum" coeffs="-15.0"/>
+    <surface id="18" name="maximum z" type="z-plane" boundary="vacuum" coeffs="15.0"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
-    <particles>100</particles>
+    <particles>1000</particles>
     <batches>10</batches>
-    <source strength="1.0">
-      <space origin="0.0 0.0 0.0" type="spherical">
-        <r parameters="0.0 0.0" type="uniform"/>
+    <source type="independent" strength="1.0" particle="neutron">
+      <space type="spherical" origin="0.0 0.0 0.0">
+        <r type="uniform" parameters="0.0 0.0"/>
         <cos_theta type="discrete">
           <parameters>1.0 1.0</parameters>
         </cos_theta>
@@ -56,34 +56,33 @@
           <parameters>0.0 1.0</parameters>
         </phi>
       </space>
-      <angle reference_uvw="-1.0 0.0 0.0" type="monodirectional"/>
       <energy type="discrete">
         <parameters>15000000.0 1.0</parameters>
       </energy>
     </source>
   </settings>
   <tallies>
-    <mesh id="11">
+    <mesh id="1">
       <dimension>10 10 10</dimension>
       <lower_left>-10.0 -10.0 -10.0</lower_left>
       <upper_right>10.0 10.0 10.0</upper_right>
     </mesh>
-    <mesh id="12" library="moab" type="unstructured">
-      <filename>test_mesh_tets.exo</filename>
+    <mesh id="2" type="unstructured" library="libmesh">
+      <filename>test_mesh_tets.e</filename>
     </mesh>
-    <filter id="11" type="mesh">
-      <bins>11</bins>
+    <filter id="1" type="mesh">
+      <bins>1</bins>
     </filter>
-    <filter id="12" type="mesh">
-      <bins>12</bins>
+    <filter id="2" type="mesh">
+      <bins>2</bins>
     </filter>
-    <tally id="11" name="regular mesh tally">
-      <filters>11</filters>
+    <tally id="1" name="regular mesh tally">
+      <filters>1</filters>
       <scores>flux</scores>
       <estimator>tracklength</estimator>
     </tally>
-    <tally id="12" name="unstructured mesh tally">
-      <filters>12</filters>
+    <tally id="2" name="unstructured mesh tally">
+      <filters>2</filters>
       <scores>flux</scores>
       <estimator>tracklength</estimator>
     </tally>
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true6.dat b/tests/regression_tests/unstructured_mesh/inputs_true6.dat
index 82bc30703..d6ad0d98d 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true6.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true6.dat
@@ -1,54 +1,54 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="19" name="fuel">
-      <density units="g/cc" value="4.5"/>
-      <nuclide ao="1.0" name="U235"/>
+    <material id="1" name="fuel" depletable="true">
+      <density value="4.5" units="g/cc"/>
+      <nuclide name="U235" ao="1.0"/>
     </material>
-    <material id="20" name="zircaloy">
-      <density units="g/cc" value="5.77"/>
-      <nuclide ao="0.5145" name="Zr90"/>
-      <nuclide ao="0.1122" name="Zr91"/>
-      <nuclide ao="0.1715" name="Zr92"/>
-      <nuclide ao="0.1738" name="Zr94"/>
-      <nuclide ao="0.028" name="Zr96"/>
+    <material id="2" name="zircaloy">
+      <density value="5.77" units="g/cc"/>
+      <nuclide name="Zr90" ao="0.5145"/>
+      <nuclide name="Zr91" ao="0.1122"/>
+      <nuclide name="Zr92" ao="0.1715"/>
+      <nuclide name="Zr94" ao="0.1738"/>
+      <nuclide name="Zr96" ao="0.028"/>
     </material>
-    <material id="21" name="water">
-      <density units="atom/b-cm" value="0.07416"/>
-      <nuclide ao="2.0" name="H1"/>
-      <nuclide ao="1.0" name="O16"/>
+    <material id="3" name="water">
+      <density value="0.07416" units="atom/b-cm"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
     </material>
   </materials>
   <geometry>
-    <cell id="19" material="19" name="fuel" region="109 -110 111 -112 113 -114" universe="7"/>
-    <cell id="20" material="20" name="clad" region="(-109 | 110 | -111 | 112 | -113 | 114) (115 -116 117 -118 119 -120)" universe="7"/>
-    <cell id="21" material="21" name="water" region="(-115 | 116 | -117 | 118 | -119 | 120) (121 -122 123 -124 125 -126)" universe="7"/>
-    <surface coeffs="-5.0" id="109" name="minimum x" type="x-plane"/>
-    <surface coeffs="5.0" id="110" name="maximum x" type="x-plane"/>
-    <surface coeffs="-5.0" id="111" name="minimum y" type="y-plane"/>
-    <surface coeffs="5.0" id="112" name="maximum y" type="y-plane"/>
-    <surface coeffs="-5.0" id="113" name="minimum z" type="z-plane"/>
-    <surface coeffs="5.0" id="114" name="maximum z" type="z-plane"/>
-    <surface coeffs="-6.0" id="115" name="minimum x" type="x-plane"/>
-    <surface coeffs="6.0" id="116" name="maximum x" type="x-plane"/>
-    <surface coeffs="-6.0" id="117" name="minimum y" type="y-plane"/>
-    <surface coeffs="6.0" id="118" name="maximum y" type="y-plane"/>
-    <surface coeffs="-6.0" id="119" name="minimum z" type="z-plane"/>
-    <surface coeffs="6.0" id="120" name="maximum z" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="-10" id="121" name="minimum x" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="10" id="122" name="maximum x" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="-10" id="123" name="minimum y" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="10" id="124" name="maximum y" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="-10" id="125" name="minimum z" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="10" id="126" name="maximum z" type="z-plane"/>
+    <cell id="1" name="fuel" material="1" region="1 -2 3 -4 5 -6" universe="1"/>
+    <cell id="2" name="clad" material="2" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1"/>
+    <cell id="3" name="water" material="3" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1"/>
+    <surface id="1" name="minimum x" type="x-plane" coeffs="-5.0"/>
+    <surface id="2" name="maximum x" type="x-plane" coeffs="5.0"/>
+    <surface id="3" name="minimum y" type="y-plane" coeffs="-5.0"/>
+    <surface id="4" name="maximum y" type="y-plane" coeffs="5.0"/>
+    <surface id="5" name="minimum z" type="z-plane" coeffs="-5.0"/>
+    <surface id="6" name="maximum z" type="z-plane" coeffs="5.0"/>
+    <surface id="7" name="minimum x" type="x-plane" coeffs="-6.0"/>
+    <surface id="8" name="maximum x" type="x-plane" coeffs="6.0"/>
+    <surface id="9" name="minimum y" type="y-plane" coeffs="-6.0"/>
+    <surface id="10" name="maximum y" type="y-plane" coeffs="6.0"/>
+    <surface id="11" name="minimum z" type="z-plane" coeffs="-6.0"/>
+    <surface id="12" name="maximum z" type="z-plane" coeffs="6.0"/>
+    <surface id="13" name="minimum x" type="x-plane" boundary="vacuum" coeffs="-10.0"/>
+    <surface id="14" name="maximum x" type="x-plane" boundary="vacuum" coeffs="10.0"/>
+    <surface id="15" name="minimum y" type="y-plane" boundary="vacuum" coeffs="-10.0"/>
+    <surface id="16" name="maximum y" type="y-plane" boundary="vacuum" coeffs="10.0"/>
+    <surface id="17" name="minimum z" type="z-plane" boundary="vacuum" coeffs="-10.0"/>
+    <surface id="18" name="maximum z" type="z-plane" boundary="vacuum" coeffs="10.0"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
-    <particles>100</particles>
+    <particles>1000</particles>
     <batches>10</batches>
-    <source strength="1.0">
-      <space origin="0.0 0.0 0.0" type="spherical">
-        <r parameters="0.0 0.0" type="uniform"/>
+    <source type="independent" strength="1.0" particle="neutron">
+      <space type="spherical" origin="0.0 0.0 0.0">
+        <r type="uniform" parameters="0.0 0.0"/>
         <cos_theta type="discrete">
           <parameters>1.0 1.0</parameters>
         </cos_theta>
@@ -56,34 +56,33 @@
           <parameters>0.0 1.0</parameters>
         </phi>
       </space>
-      <angle reference_uvw="-1.0 0.0 0.0" type="monodirectional"/>
       <energy type="discrete">
         <parameters>15000000.0 1.0</parameters>
       </energy>
     </source>
   </settings>
   <tallies>
-    <mesh id="13">
+    <mesh id="1">
       <dimension>10 10 10</dimension>
       <lower_left>-10.0 -10.0 -10.0</lower_left>
       <upper_right>10.0 10.0 10.0</upper_right>
     </mesh>
-    <mesh id="14" library="moab" type="unstructured">
-      <filename>test_mesh_tets_w_holes.exo</filename>
+    <mesh id="2" type="unstructured" library="libmesh">
+      <filename>test_mesh_tets_w_holes.e</filename>
     </mesh>
-    <filter id="13" type="mesh">
-      <bins>13</bins>
+    <filter id="1" type="mesh">
+      <bins>1</bins>
     </filter>
-    <filter id="14" type="mesh">
-      <bins>14</bins>
+    <filter id="2" type="mesh">
+      <bins>2</bins>
     </filter>
-    <tally id="13" name="regular mesh tally">
-      <filters>13</filters>
+    <tally id="1" name="regular mesh tally">
+      <filters>1</filters>
       <scores>flux</scores>
       <estimator>tracklength</estimator>
     </tally>
-    <tally id="14" name="unstructured mesh tally">
-      <filters>14</filters>
+    <tally id="2" name="unstructured mesh tally">
+      <filters>2</filters>
       <scores>flux</scores>
       <estimator>tracklength</estimator>
     </tally>
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true7.dat b/tests/regression_tests/unstructured_mesh/inputs_true7.dat
index b982c40d0..924790a8c 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true7.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true7.dat
@@ -1,54 +1,54 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="22" name="fuel">
-      <density units="g/cc" value="4.5"/>
-      <nuclide ao="1.0" name="U235"/>
+    <material id="1" name="fuel" depletable="true">
+      <density value="4.5" units="g/cc"/>
+      <nuclide name="U235" ao="1.0"/>
     </material>
-    <material id="23" name="zircaloy">
-      <density units="g/cc" value="5.77"/>
-      <nuclide ao="0.5145" name="Zr90"/>
-      <nuclide ao="0.1122" name="Zr91"/>
-      <nuclide ao="0.1715" name="Zr92"/>
-      <nuclide ao="0.1738" name="Zr94"/>
-      <nuclide ao="0.028" name="Zr96"/>
+    <material id="2" name="zircaloy">
+      <density value="5.77" units="g/cc"/>
+      <nuclide name="Zr90" ao="0.5145"/>
+      <nuclide name="Zr91" ao="0.1122"/>
+      <nuclide name="Zr92" ao="0.1715"/>
+      <nuclide name="Zr94" ao="0.1738"/>
+      <nuclide name="Zr96" ao="0.028"/>
     </material>
-    <material id="24" name="water">
-      <density units="atom/b-cm" value="0.07416"/>
-      <nuclide ao="2.0" name="H1"/>
-      <nuclide ao="1.0" name="O16"/>
+    <material id="3" name="water">
+      <density value="0.07416" units="atom/b-cm"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
     </material>
   </materials>
   <geometry>
-    <cell id="22" material="22" name="fuel" region="127 -128 129 -130 131 -132" universe="8"/>
-    <cell id="23" material="23" name="clad" region="(-127 | 128 | -129 | 130 | -131 | 132) (133 -134 135 -136 137 -138)" universe="8"/>
-    <cell id="24" material="24" name="water" region="(-133 | 134 | -135 | 136 | -137 | 138) (139 -140 141 -142 143 -144)" universe="8"/>
-    <surface coeffs="-5.0" id="127" name="minimum x" type="x-plane"/>
-    <surface coeffs="5.0" id="128" name="maximum x" type="x-plane"/>
-    <surface coeffs="-5.0" id="129" name="minimum y" type="y-plane"/>
-    <surface coeffs="5.0" id="130" name="maximum y" type="y-plane"/>
-    <surface coeffs="-5.0" id="131" name="minimum z" type="z-plane"/>
-    <surface coeffs="5.0" id="132" name="maximum z" type="z-plane"/>
-    <surface coeffs="-6.0" id="133" name="minimum x" type="x-plane"/>
-    <surface coeffs="6.0" id="134" name="maximum x" type="x-plane"/>
-    <surface coeffs="-6.0" id="135" name="minimum y" type="y-plane"/>
-    <surface coeffs="6.0" id="136" name="maximum y" type="y-plane"/>
-    <surface coeffs="-6.0" id="137" name="minimum z" type="z-plane"/>
-    <surface coeffs="6.0" id="138" name="maximum z" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="-10" id="139" name="minimum x" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="10" id="140" name="maximum x" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="-10" id="141" name="minimum y" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="10" id="142" name="maximum y" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="-10" id="143" name="minimum z" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="10" id="144" name="maximum z" type="z-plane"/>
+    <cell id="1" name="fuel" material="1" region="1 -2 3 -4 5 -6" universe="1"/>
+    <cell id="2" name="clad" material="2" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1"/>
+    <cell id="3" name="water" material="3" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1"/>
+    <surface id="1" name="minimum x" type="x-plane" coeffs="-5.0"/>
+    <surface id="2" name="maximum x" type="x-plane" coeffs="5.0"/>
+    <surface id="3" name="minimum y" type="y-plane" coeffs="-5.0"/>
+    <surface id="4" name="maximum y" type="y-plane" coeffs="5.0"/>
+    <surface id="5" name="minimum z" type="z-plane" coeffs="-5.0"/>
+    <surface id="6" name="maximum z" type="z-plane" coeffs="5.0"/>
+    <surface id="7" name="minimum x" type="x-plane" coeffs="-6.0"/>
+    <surface id="8" name="maximum x" type="x-plane" coeffs="6.0"/>
+    <surface id="9" name="minimum y" type="y-plane" coeffs="-6.0"/>
+    <surface id="10" name="maximum y" type="y-plane" coeffs="6.0"/>
+    <surface id="11" name="minimum z" type="z-plane" coeffs="-6.0"/>
+    <surface id="12" name="maximum z" type="z-plane" coeffs="6.0"/>
+    <surface id="13" name="minimum x" type="x-plane" boundary="vacuum" coeffs="-10.0"/>
+    <surface id="14" name="maximum x" type="x-plane" boundary="vacuum" coeffs="10.0"/>
+    <surface id="15" name="minimum y" type="y-plane" boundary="vacuum" coeffs="-10.0"/>
+    <surface id="16" name="maximum y" type="y-plane" boundary="vacuum" coeffs="10.0"/>
+    <surface id="17" name="minimum z" type="z-plane" boundary="vacuum" coeffs="-10.0"/>
+    <surface id="18" name="maximum z" type="z-plane" boundary="vacuum" coeffs="10.0"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
-    <particles>100</particles>
+    <particles>1000</particles>
     <batches>10</batches>
-    <source strength="1.0">
-      <space origin="0.0 0.0 0.0" type="spherical">
-        <r parameters="0.0 0.0" type="uniform"/>
+    <source type="independent" strength="1.0" particle="neutron">
+      <space type="spherical" origin="0.0 0.0 0.0">
+        <r type="uniform" parameters="0.0 0.0"/>
         <cos_theta type="discrete">
           <parameters>1.0 1.0</parameters>
         </cos_theta>
@@ -56,34 +56,33 @@
           <parameters>0.0 1.0</parameters>
         </phi>
       </space>
-      <angle reference_uvw="-1.0 0.0 0.0" type="monodirectional"/>
       <energy type="discrete">
         <parameters>15000000.0 1.0</parameters>
       </energy>
     </source>
   </settings>
   <tallies>
-    <mesh id="15">
+    <mesh id="1">
       <dimension>10 10 10</dimension>
       <lower_left>-10.0 -10.0 -10.0</lower_left>
       <upper_right>10.0 10.0 10.0</upper_right>
     </mesh>
-    <mesh id="16" library="moab" type="unstructured">
-      <filename>test_mesh_tets.exo</filename>
+    <mesh id="2" type="unstructured" library="libmesh">
+      <filename>test_mesh_tets.e</filename>
     </mesh>
-    <filter id="15" type="mesh">
-      <bins>15</bins>
+    <filter id="1" type="mesh">
+      <bins>1</bins>
     </filter>
-    <filter id="16" type="mesh">
-      <bins>16</bins>
+    <filter id="2" type="mesh">
+      <bins>2</bins>
     </filter>
-    <tally id="15" name="regular mesh tally">
-      <filters>15</filters>
+    <tally id="1" name="regular mesh tally">
+      <filters>1</filters>
       <scores>flux</scores>
       <estimator>tracklength</estimator>
     </tally>
-    <tally id="16" name="unstructured mesh tally">
-      <filters>16</filters>
+    <tally id="2" name="unstructured mesh tally">
+      <filters>2</filters>
       <scores>flux</scores>
       <estimator>tracklength</estimator>
     </tally>
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true8.dat b/tests/regression_tests/unstructured_mesh/inputs_true8.dat
index 7994e1add..c04beb211 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true8.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true8.dat
@@ -1,54 +1,54 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1" name="fuel">
-      <density units="g/cc" value="4.5"/>
-      <nuclide ao="1.0" name="U235"/>
+    <material id="1" name="fuel" depletable="true">
+      <density value="4.5" units="g/cc"/>
+      <nuclide name="U235" ao="1.0"/>
     </material>
     <material id="2" name="zircaloy">
-      <density units="g/cc" value="5.77"/>
-      <nuclide ao="0.5145" name="Zr90"/>
-      <nuclide ao="0.1122" name="Zr91"/>
-      <nuclide ao="0.1715" name="Zr92"/>
-      <nuclide ao="0.1738" name="Zr94"/>
-      <nuclide ao="0.028" name="Zr96"/>
+      <density value="5.77" units="g/cc"/>
+      <nuclide name="Zr90" ao="0.5145"/>
+      <nuclide name="Zr91" ao="0.1122"/>
+      <nuclide name="Zr92" ao="0.1715"/>
+      <nuclide name="Zr94" ao="0.1738"/>
+      <nuclide name="Zr96" ao="0.028"/>
     </material>
     <material id="3" name="water">
-      <density units="atom/b-cm" value="0.07416"/>
-      <nuclide ao="2.0" name="H1"/>
-      <nuclide ao="1.0" name="O16"/>
+      <density value="0.07416" units="atom/b-cm"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="fuel" region="1 -2 3 -4 5 -6" universe="1"/>
-    <cell id="2" material="2" name="clad" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1"/>
-    <cell id="3" material="3" name="water" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1"/>
-    <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane"/>
-    <surface coeffs="5.0" id="2" name="maximum x" type="x-plane"/>
-    <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane"/>
-    <surface coeffs="5.0" id="4" name="maximum y" type="y-plane"/>
-    <surface coeffs="-5.0" id="5" name="minimum z" type="z-plane"/>
-    <surface coeffs="5.0" id="6" name="maximum z" type="z-plane"/>
-    <surface coeffs="-6.0" id="7" name="minimum x" type="x-plane"/>
-    <surface coeffs="6.0" id="8" name="maximum x" type="x-plane"/>
-    <surface coeffs="-6.0" id="9" name="minimum y" type="y-plane"/>
-    <surface coeffs="6.0" id="10" name="maximum y" type="y-plane"/>
-    <surface coeffs="-6.0" id="11" name="minimum z" type="z-plane"/>
-    <surface coeffs="6.0" id="12" name="maximum z" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="-15.0" id="13" name="minimum x" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="15.0" id="14" name="maximum x" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="-15.0" id="15" name="minimum y" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="15.0" id="16" name="maximum y" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="-15.0" id="17" name="minimum z" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="15.0" id="18" name="maximum z" type="z-plane"/>
+    <cell id="1" name="fuel" material="1" region="1 -2 3 -4 5 -6" universe="1"/>
+    <cell id="2" name="clad" material="2" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1"/>
+    <cell id="3" name="water" material="3" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1"/>
+    <surface id="1" name="minimum x" type="x-plane" coeffs="-5.0"/>
+    <surface id="2" name="maximum x" type="x-plane" coeffs="5.0"/>
+    <surface id="3" name="minimum y" type="y-plane" coeffs="-5.0"/>
+    <surface id="4" name="maximum y" type="y-plane" coeffs="5.0"/>
+    <surface id="5" name="minimum z" type="z-plane" coeffs="-5.0"/>
+    <surface id="6" name="maximum z" type="z-plane" coeffs="5.0"/>
+    <surface id="7" name="minimum x" type="x-plane" coeffs="-6.0"/>
+    <surface id="8" name="maximum x" type="x-plane" coeffs="6.0"/>
+    <surface id="9" name="minimum y" type="y-plane" coeffs="-6.0"/>
+    <surface id="10" name="maximum y" type="y-plane" coeffs="6.0"/>
+    <surface id="11" name="minimum z" type="z-plane" coeffs="-6.0"/>
+    <surface id="12" name="maximum z" type="z-plane" coeffs="6.0"/>
+    <surface id="13" name="minimum x" type="x-plane" boundary="vacuum" coeffs="-15.0"/>
+    <surface id="14" name="maximum x" type="x-plane" boundary="vacuum" coeffs="15.0"/>
+    <surface id="15" name="minimum y" type="y-plane" boundary="vacuum" coeffs="-15.0"/>
+    <surface id="16" name="maximum y" type="y-plane" boundary="vacuum" coeffs="15.0"/>
+    <surface id="17" name="minimum z" type="z-plane" boundary="vacuum" coeffs="-15.0"/>
+    <surface id="18" name="maximum z" type="z-plane" boundary="vacuum" coeffs="15.0"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
     <particles>1000</particles>
     <batches>10</batches>
-    <source particle="neutron" strength="1.0" type="independent">
-      <space origin="0.0 0.0 0.0" type="spherical">
-        <r parameters="0.0 0.0" type="uniform"/>
+    <source type="independent" strength="1.0" particle="neutron">
+      <space type="spherical" origin="0.0 0.0 0.0">
+        <r type="uniform" parameters="0.0 0.0"/>
         <cos_theta type="discrete">
           <parameters>1.0 1.0</parameters>
         </cos_theta>
@@ -67,7 +67,7 @@
       <lower_left>-10.0 -10.0 -10.0</lower_left>
       <upper_right>10.0 10.0 10.0</upper_right>
     </mesh>
-    <mesh id="2" library="moab" options="MAX_DEPTH=15;PLANE_SET=2" type="unstructured">
+    <mesh id="2" type="unstructured" library="moab" options="MAX_DEPTH=15;PLANE_SET=2">
       <filename>test_mesh_tets_w_holes.e</filename>
     </mesh>
     <filter id="1" type="mesh">
diff --git a/tests/regression_tests/unstructured_mesh/inputs_true9.dat b/tests/regression_tests/unstructured_mesh/inputs_true9.dat
index 4fff123d7..111898ff2 100644
--- a/tests/regression_tests/unstructured_mesh/inputs_true9.dat
+++ b/tests/regression_tests/unstructured_mesh/inputs_true9.dat
@@ -1,54 +1,54 @@
 <?xml version='1.0' encoding='utf-8'?>
 <model>
   <materials>
-    <material depletable="true" id="1" name="fuel">
-      <density units="g/cc" value="4.5"/>
-      <nuclide ao="1.0" name="U235"/>
+    <material id="1" name="fuel" depletable="true">
+      <density value="4.5" units="g/cc"/>
+      <nuclide name="U235" ao="1.0"/>
     </material>
     <material id="2" name="zircaloy">
-      <density units="g/cc" value="5.77"/>
-      <nuclide ao="0.5145" name="Zr90"/>
-      <nuclide ao="0.1122" name="Zr91"/>
-      <nuclide ao="0.1715" name="Zr92"/>
-      <nuclide ao="0.1738" name="Zr94"/>
-      <nuclide ao="0.028" name="Zr96"/>
+      <density value="5.77" units="g/cc"/>
+      <nuclide name="Zr90" ao="0.5145"/>
+      <nuclide name="Zr91" ao="0.1122"/>
+      <nuclide name="Zr92" ao="0.1715"/>
+      <nuclide name="Zr94" ao="0.1738"/>
+      <nuclide name="Zr96" ao="0.028"/>
     </material>
     <material id="3" name="water">
-      <density units="atom/b-cm" value="0.07416"/>
-      <nuclide ao="2.0" name="H1"/>
-      <nuclide ao="1.0" name="O16"/>
+      <density value="0.07416" units="atom/b-cm"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="fuel" region="1 -2 3 -4 5 -6" universe="1"/>
-    <cell id="2" material="2" name="clad" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1"/>
-    <cell id="3" material="3" name="water" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1"/>
-    <surface coeffs="-5.0" id="1" name="minimum x" type="x-plane"/>
-    <surface coeffs="5.0" id="2" name="maximum x" type="x-plane"/>
-    <surface coeffs="-5.0" id="3" name="minimum y" type="y-plane"/>
-    <surface coeffs="5.0" id="4" name="maximum y" type="y-plane"/>
-    <surface coeffs="-5.0" id="5" name="minimum z" type="z-plane"/>
-    <surface coeffs="5.0" id="6" name="maximum z" type="z-plane"/>
-    <surface coeffs="-6.0" id="7" name="minimum x" type="x-plane"/>
-    <surface coeffs="6.0" id="8" name="maximum x" type="x-plane"/>
-    <surface coeffs="-6.0" id="9" name="minimum y" type="y-plane"/>
-    <surface coeffs="6.0" id="10" name="maximum y" type="y-plane"/>
-    <surface coeffs="-6.0" id="11" name="minimum z" type="z-plane"/>
-    <surface coeffs="6.0" id="12" name="maximum z" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="-15.0" id="13" name="minimum x" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="15.0" id="14" name="maximum x" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="-15.0" id="15" name="minimum y" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="15.0" id="16" name="maximum y" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="-15.0" id="17" name="minimum z" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="15.0" id="18" name="maximum z" type="z-plane"/>
+    <cell id="1" name="fuel" material="1" region="1 -2 3 -4 5 -6" universe="1"/>
+    <cell id="2" name="clad" material="2" region="(-1 | 2 | -3 | 4 | -5 | 6) (7 -8 9 -10 11 -12)" universe="1"/>
+    <cell id="3" name="water" material="3" region="(-7 | 8 | -9 | 10 | -11 | 12) (13 -14 15 -16 17 -18)" universe="1"/>
+    <surface id="1" name="minimum x" type="x-plane" coeffs="-5.0"/>
+    <surface id="2" name="maximum x" type="x-plane" coeffs="5.0"/>
+    <surface id="3" name="minimum y" type="y-plane" coeffs="-5.0"/>
+    <surface id="4" name="maximum y" type="y-plane" coeffs="5.0"/>
+    <surface id="5" name="minimum z" type="z-plane" coeffs="-5.0"/>
+    <surface id="6" name="maximum z" type="z-plane" coeffs="5.0"/>
+    <surface id="7" name="minimum x" type="x-plane" coeffs="-6.0"/>
+    <surface id="8" name="maximum x" type="x-plane" coeffs="6.0"/>
+    <surface id="9" name="minimum y" type="y-plane" coeffs="-6.0"/>
+    <surface id="10" name="maximum y" type="y-plane" coeffs="6.0"/>
+    <surface id="11" name="minimum z" type="z-plane" coeffs="-6.0"/>
+    <surface id="12" name="maximum z" type="z-plane" coeffs="6.0"/>
+    <surface id="13" name="minimum x" type="x-plane" boundary="vacuum" coeffs="-15.0"/>
+    <surface id="14" name="maximum x" type="x-plane" boundary="vacuum" coeffs="15.0"/>
+    <surface id="15" name="minimum y" type="y-plane" boundary="vacuum" coeffs="-15.0"/>
+    <surface id="16" name="maximum y" type="y-plane" boundary="vacuum" coeffs="15.0"/>
+    <surface id="17" name="minimum z" type="z-plane" boundary="vacuum" coeffs="-15.0"/>
+    <surface id="18" name="maximum z" type="z-plane" boundary="vacuum" coeffs="15.0"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
     <particles>1000</particles>
     <batches>10</batches>
-    <source particle="neutron" strength="1.0" type="independent">
-      <space origin="0.0 0.0 0.0" type="spherical">
-        <r parameters="0.0 0.0" type="uniform"/>
+    <source type="independent" strength="1.0" particle="neutron">
+      <space type="spherical" origin="0.0 0.0 0.0">
+        <r type="uniform" parameters="0.0 0.0"/>
         <cos_theta type="discrete">
           <parameters>1.0 1.0</parameters>
         </cos_theta>
@@ -67,7 +67,7 @@
       <lower_left>-10.0 -10.0 -10.0</lower_left>
       <upper_right>10.0 10.0 10.0</upper_right>
     </mesh>
-    <mesh id="2" library="moab" options="MAX_DEPTH=15;PLANE_SET=2" type="unstructured">
+    <mesh id="2" type="unstructured" library="moab" options="MAX_DEPTH=15;PLANE_SET=2">
       <filename>test_mesh_tets.e</filename>
     </mesh>
     <filter id="1" type="mesh">
diff --git a/tests/regression_tests/void/inputs_true.dat b/tests/regression_tests/void/inputs_true.dat
index 7fee0779e..cd2d14206 100644
--- a/tests/regression_tests/void/inputs_true.dat
+++ b/tests/regression_tests/void/inputs_true.dat
@@ -2,8 +2,8 @@
 <model>
   <materials>
     <material id="1">
-      <density units="g/cm3" value="7.14"/>
-      <nuclide ao="1.0" name="Zn64"/>
+      <density value="7.14" units="g/cm3"/>
+      <nuclide name="Zn64" ao="1.0"/>
     </material>
   </materials>
   <geometry>
@@ -58,62 +58,62 @@
     <cell id="49" material="1" region="48 -49" universe="1"/>
     <cell id="50" material="void" region="49 -50" universe="1"/>
     <cell id="51" material="1" region="50" universe="1"/>
-    <surface coeffs="0.0 0.0 0.0 1.0" id="1" type="sphere"/>
-    <surface coeffs="0.0 0.0 0.0 3.020408163265306" id="2" type="sphere"/>
-    <surface coeffs="0.0 0.0 0.0 5.040816326530612" id="3" type="sphere"/>
-    <surface coeffs="0.0 0.0 0.0 7.061224489795918" id="4" type="sphere"/>
-    <surface coeffs="0.0 0.0 0.0 9.081632653061224" id="5" type="sphere"/>
-    <surface coeffs="0.0 0.0 0.0 11.102040816326529" id="6" type="sphere"/>
-    <surface coeffs="0.0 0.0 0.0 13.122448979591836" id="7" type="sphere"/>
-    <surface coeffs="0.0 0.0 0.0 15.142857142857142" id="8" type="sphere"/>
-    <surface coeffs="0.0 0.0 0.0 17.163265306122447" id="9" type="sphere"/>
-    <surface coeffs="0.0 0.0 0.0 19.183673469387752" id="10" type="sphere"/>
-    <surface coeffs="0.0 0.0 0.0 21.204081632653057" id="11" type="sphere"/>
-    <surface coeffs="0.0 0.0 0.0 23.224489795918366" id="12" type="sphere"/>
-    <surface coeffs="0.0 0.0 0.0 25.24489795918367" id="13" type="sphere"/>
-    <surface coeffs="0.0 0.0 0.0 27.265306122448976" id="14" type="sphere"/>
-    <surface coeffs="0.0 0.0 0.0 29.285714285714285" id="15" type="sphere"/>
-    <surface coeffs="0.0 0.0 0.0 31.30612244897959" id="16" type="sphere"/>
-    <surface coeffs="0.0 0.0 0.0 33.326530612244895" id="17" type="sphere"/>
-    <surface coeffs="0.0 0.0 0.0 35.3469387755102" id="18" type="sphere"/>
-    <surface coeffs="0.0 0.0 0.0 37.367346938775505" id="19" type="sphere"/>
-    <surface coeffs="0.0 0.0 0.0 39.38775510204081" id="20" type="sphere"/>
-    <surface coeffs="0.0 0.0 0.0 41.408163265306115" id="21" type="sphere"/>
-    <surface coeffs="0.0 0.0 0.0 43.42857142857142" id="22" type="sphere"/>
-    <surface coeffs="0.0 0.0 0.0 45.44897959183673" id="23" type="sphere"/>
-    <surface coeffs="0.0 0.0 0.0 47.469387755102034" id="24" type="sphere"/>
-    <surface coeffs="0.0 0.0 0.0 49.48979591836734" id="25" type="sphere"/>
-    <surface coeffs="0.0 0.0 0.0 51.51020408163265" id="26" type="sphere"/>
-    <surface coeffs="0.0 0.0 0.0 53.53061224489795" id="27" type="sphere"/>
-    <surface coeffs="0.0 0.0 0.0 55.55102040816326" id="28" type="sphere"/>
-    <surface coeffs="0.0 0.0 0.0 57.57142857142857" id="29" type="sphere"/>
-    <surface coeffs="0.0 0.0 0.0 59.59183673469387" id="30" type="sphere"/>
-    <surface coeffs="0.0 0.0 0.0 61.61224489795918" id="31" type="sphere"/>
-    <surface coeffs="0.0 0.0 0.0 63.63265306122448" id="32" type="sphere"/>
-    <surface coeffs="0.0 0.0 0.0 65.65306122448979" id="33" type="sphere"/>
-    <surface coeffs="0.0 0.0 0.0 67.67346938775509" id="34" type="sphere"/>
-    <surface coeffs="0.0 0.0 0.0 69.6938775510204" id="35" type="sphere"/>
-    <surface coeffs="0.0 0.0 0.0 71.71428571428571" id="36" type="sphere"/>
-    <surface coeffs="0.0 0.0 0.0 73.73469387755101" id="37" type="sphere"/>
-    <surface coeffs="0.0 0.0 0.0 75.75510204081633" id="38" type="sphere"/>
-    <surface coeffs="0.0 0.0 0.0 77.77551020408163" id="39" type="sphere"/>
-    <surface coeffs="0.0 0.0 0.0 79.79591836734693" id="40" type="sphere"/>
-    <surface coeffs="0.0 0.0 0.0 81.81632653061223" id="41" type="sphere"/>
-    <surface coeffs="0.0 0.0 0.0 83.83673469387755" id="42" type="sphere"/>
-    <surface coeffs="0.0 0.0 0.0 85.85714285714285" id="43" type="sphere"/>
-    <surface coeffs="0.0 0.0 0.0 87.87755102040815" id="44" type="sphere"/>
-    <surface coeffs="0.0 0.0 0.0 89.89795918367346" id="45" type="sphere"/>
-    <surface coeffs="0.0 0.0 0.0 91.91836734693877" id="46" type="sphere"/>
-    <surface coeffs="0.0 0.0 0.0 93.93877551020407" id="47" type="sphere"/>
-    <surface coeffs="0.0 0.0 0.0 95.95918367346938" id="48" type="sphere"/>
-    <surface coeffs="0.0 0.0 0.0 97.97959183673468" id="49" type="sphere"/>
-    <surface boundary="vacuum" coeffs="0.0 0.0 0.0 100.0" id="50" type="sphere"/>
+    <surface id="1" type="sphere" coeffs="0.0 0.0 0.0 1.0"/>
+    <surface id="2" type="sphere" coeffs="0.0 0.0 0.0 3.020408163265306"/>
+    <surface id="3" type="sphere" coeffs="0.0 0.0 0.0 5.040816326530612"/>
+    <surface id="4" type="sphere" coeffs="0.0 0.0 0.0 7.061224489795918"/>
+    <surface id="5" type="sphere" coeffs="0.0 0.0 0.0 9.081632653061224"/>
+    <surface id="6" type="sphere" coeffs="0.0 0.0 0.0 11.102040816326529"/>
+    <surface id="7" type="sphere" coeffs="0.0 0.0 0.0 13.122448979591836"/>
+    <surface id="8" type="sphere" coeffs="0.0 0.0 0.0 15.142857142857142"/>
+    <surface id="9" type="sphere" coeffs="0.0 0.0 0.0 17.163265306122447"/>
+    <surface id="10" type="sphere" coeffs="0.0 0.0 0.0 19.183673469387752"/>
+    <surface id="11" type="sphere" coeffs="0.0 0.0 0.0 21.204081632653057"/>
+    <surface id="12" type="sphere" coeffs="0.0 0.0 0.0 23.224489795918366"/>
+    <surface id="13" type="sphere" coeffs="0.0 0.0 0.0 25.24489795918367"/>
+    <surface id="14" type="sphere" coeffs="0.0 0.0 0.0 27.265306122448976"/>
+    <surface id="15" type="sphere" coeffs="0.0 0.0 0.0 29.285714285714285"/>
+    <surface id="16" type="sphere" coeffs="0.0 0.0 0.0 31.30612244897959"/>
+    <surface id="17" type="sphere" coeffs="0.0 0.0 0.0 33.326530612244895"/>
+    <surface id="18" type="sphere" coeffs="0.0 0.0 0.0 35.3469387755102"/>
+    <surface id="19" type="sphere" coeffs="0.0 0.0 0.0 37.367346938775505"/>
+    <surface id="20" type="sphere" coeffs="0.0 0.0 0.0 39.38775510204081"/>
+    <surface id="21" type="sphere" coeffs="0.0 0.0 0.0 41.408163265306115"/>
+    <surface id="22" type="sphere" coeffs="0.0 0.0 0.0 43.42857142857142"/>
+    <surface id="23" type="sphere" coeffs="0.0 0.0 0.0 45.44897959183673"/>
+    <surface id="24" type="sphere" coeffs="0.0 0.0 0.0 47.469387755102034"/>
+    <surface id="25" type="sphere" coeffs="0.0 0.0 0.0 49.48979591836734"/>
+    <surface id="26" type="sphere" coeffs="0.0 0.0 0.0 51.51020408163265"/>
+    <surface id="27" type="sphere" coeffs="0.0 0.0 0.0 53.53061224489795"/>
+    <surface id="28" type="sphere" coeffs="0.0 0.0 0.0 55.55102040816326"/>
+    <surface id="29" type="sphere" coeffs="0.0 0.0 0.0 57.57142857142857"/>
+    <surface id="30" type="sphere" coeffs="0.0 0.0 0.0 59.59183673469387"/>
+    <surface id="31" type="sphere" coeffs="0.0 0.0 0.0 61.61224489795918"/>
+    <surface id="32" type="sphere" coeffs="0.0 0.0 0.0 63.63265306122448"/>
+    <surface id="33" type="sphere" coeffs="0.0 0.0 0.0 65.65306122448979"/>
+    <surface id="34" type="sphere" coeffs="0.0 0.0 0.0 67.67346938775509"/>
+    <surface id="35" type="sphere" coeffs="0.0 0.0 0.0 69.6938775510204"/>
+    <surface id="36" type="sphere" coeffs="0.0 0.0 0.0 71.71428571428571"/>
+    <surface id="37" type="sphere" coeffs="0.0 0.0 0.0 73.73469387755101"/>
+    <surface id="38" type="sphere" coeffs="0.0 0.0 0.0 75.75510204081633"/>
+    <surface id="39" type="sphere" coeffs="0.0 0.0 0.0 77.77551020408163"/>
+    <surface id="40" type="sphere" coeffs="0.0 0.0 0.0 79.79591836734693"/>
+    <surface id="41" type="sphere" coeffs="0.0 0.0 0.0 81.81632653061223"/>
+    <surface id="42" type="sphere" coeffs="0.0 0.0 0.0 83.83673469387755"/>
+    <surface id="43" type="sphere" coeffs="0.0 0.0 0.0 85.85714285714285"/>
+    <surface id="44" type="sphere" coeffs="0.0 0.0 0.0 87.87755102040815"/>
+    <surface id="45" type="sphere" coeffs="0.0 0.0 0.0 89.89795918367346"/>
+    <surface id="46" type="sphere" coeffs="0.0 0.0 0.0 91.91836734693877"/>
+    <surface id="47" type="sphere" coeffs="0.0 0.0 0.0 93.93877551020407"/>
+    <surface id="48" type="sphere" coeffs="0.0 0.0 0.0 95.95918367346938"/>
+    <surface id="49" type="sphere" coeffs="0.0 0.0 0.0 97.97959183673468"/>
+    <surface id="50" type="sphere" boundary="vacuum" coeffs="0.0 0.0 0.0 100.0"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
     <particles>1000</particles>
     <batches>3</batches>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="point">
         <parameters>0.0 0.0 0.0</parameters>
       </space>
diff --git a/tests/regression_tests/volume_calc/inputs_true.dat b/tests/regression_tests/volume_calc/inputs_true.dat
index e3a8162e3..ed7024c57 100644
--- a/tests/regression_tests/volume_calc/inputs_true.dat
+++ b/tests/regression_tests/volume_calc/inputs_true.dat
@@ -2,27 +2,27 @@
 <model>
   <materials>
     <material id="1">
-      <density units="g/cc" value="1.0"/>
-      <nuclide ao="2.0" name="H1"/>
-      <nuclide ao="1.0" name="O16"/>
-      <nuclide ao="0.0001" name="B10"/>
+      <density value="1.0" units="g/cc"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
+      <nuclide name="B10" ao="0.0001"/>
       <sab name="c_H_in_H2O"/>
     </material>
-    <material depletable="true" id="2">
-      <density units="g/cc" value="4.5"/>
-      <nuclide ao="1.0" name="U235"/>
-      <nuclide ao="0.1" name="Mo99"/>
+    <material id="2" depletable="true">
+      <density value="4.5" units="g/cc"/>
+      <nuclide name="U235" ao="1.0"/>
+      <nuclide name="Mo99" ao="0.1"/>
     </material>
   </materials>
   <geometry>
     <cell id="1" material="2" region="-1 -3 5" universe="0"/>
     <cell id="2" material="1" region="-2 3" universe="0"/>
     <cell id="3" material="1" region="-4 -3" universe="0"/>
-    <surface boundary="vacuum" coeffs="0.0 0.0 1.0" id="1" type="z-cylinder"/>
-    <surface boundary="vacuum" coeffs="0.0 0.0 5.0 1.0" id="2" type="sphere"/>
-    <surface coeffs="5.0" id="3" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="0.0 0.0 -5.0 1.0" id="4" type="sphere"/>
-    <surface coeffs="-5.0" id="5" type="z-plane"/>
+    <surface id="1" type="z-cylinder" boundary="vacuum" coeffs="0.0 0.0 1.0"/>
+    <surface id="2" type="sphere" boundary="vacuum" coeffs="0.0 0.0 5.0 1.0"/>
+    <surface id="3" type="z-plane" coeffs="5.0"/>
+    <surface id="4" type="sphere" boundary="vacuum" coeffs="0.0 0.0 -5.0 1.0"/>
+    <surface id="5" type="z-plane" coeffs="-5.0"/>
   </geometry>
   <settings>
     <run_mode>volume</run_mode>
@@ -53,7 +53,7 @@
       <samples>100</samples>
       <lower_left>-1.0 -1.0 -6.0</lower_left>
       <upper_right>1.0 1.0 6.0</upper_right>
-      <threshold threshold="0.1" type="std_dev"/>
+      <threshold type="std_dev" threshold="0.1"/>
     </volume_calc>
     <volume_calc>
       <domain_type>material</domain_type>
@@ -61,7 +61,7 @@
       <samples>100</samples>
       <lower_left>-1.0 -1.0 -6.0</lower_left>
       <upper_right>1.0 1.0 6.0</upper_right>
-      <threshold threshold="0.1" type="rel_err"/>
+      <threshold type="rel_err" threshold="0.1"/>
     </volume_calc>
     <volume_calc>
       <domain_type>cell</domain_type>
@@ -69,7 +69,7 @@
       <samples>100</samples>
       <lower_left>-1.0 -1.0 -6.0</lower_left>
       <upper_right>1.0 1.0 6.0</upper_right>
-      <threshold threshold="0.05" type="variance"/>
+      <threshold type="variance" threshold="0.05"/>
     </volume_calc>
   </settings>
   </model>
diff --git a/tests/regression_tests/volume_calc/inputs_true_mg.dat b/tests/regression_tests/volume_calc/inputs_true_mg.dat
index 2ace5cd3c..127566084 100644
--- a/tests/regression_tests/volume_calc/inputs_true_mg.dat
+++ b/tests/regression_tests/volume_calc/inputs_true_mg.dat
@@ -3,26 +3,26 @@
   <materials>
     <cross_sections>mg_lib.h5</cross_sections>
     <material id="1">
-      <density units="g/cc" value="1.0"/>
-      <nuclide ao="2.0" name="H1"/>
-      <nuclide ao="1.0" name="O16"/>
-      <nuclide ao="0.0001" name="B10"/>
+      <density value="1.0" units="g/cc"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
+      <nuclide name="B10" ao="0.0001"/>
     </material>
-    <material depletable="true" id="2">
-      <density units="g/cc" value="4.5"/>
-      <nuclide ao="1.0" name="U235"/>
-      <nuclide ao="0.1" name="Mo99"/>
+    <material id="2" depletable="true">
+      <density value="4.5" units="g/cc"/>
+      <nuclide name="U235" ao="1.0"/>
+      <nuclide name="Mo99" ao="0.1"/>
     </material>
   </materials>
   <geometry>
     <cell id="1" material="2" region="-1 -3 5" universe="0"/>
     <cell id="2" material="1" region="-2 3" universe="0"/>
     <cell id="3" material="1" region="-4 -3" universe="0"/>
-    <surface boundary="vacuum" coeffs="0.0 0.0 1.0" id="1" type="z-cylinder"/>
-    <surface boundary="vacuum" coeffs="0.0 0.0 5.0 1.0" id="2" type="sphere"/>
-    <surface coeffs="5.0" id="3" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="0.0 0.0 -5.0 1.0" id="4" type="sphere"/>
-    <surface coeffs="-5.0" id="5" type="z-plane"/>
+    <surface id="1" type="z-cylinder" boundary="vacuum" coeffs="0.0 0.0 1.0"/>
+    <surface id="2" type="sphere" boundary="vacuum" coeffs="0.0 0.0 5.0 1.0"/>
+    <surface id="3" type="z-plane" coeffs="5.0"/>
+    <surface id="4" type="sphere" boundary="vacuum" coeffs="0.0 0.0 -5.0 1.0"/>
+    <surface id="5" type="z-plane" coeffs="-5.0"/>
   </geometry>
   <settings>
     <run_mode>volume</run_mode>
@@ -54,7 +54,7 @@
       <samples>100</samples>
       <lower_left>-1.0 -1.0 -6.0</lower_left>
       <upper_right>1.0 1.0 6.0</upper_right>
-      <threshold threshold="0.1" type="std_dev"/>
+      <threshold type="std_dev" threshold="0.1"/>
     </volume_calc>
     <volume_calc>
       <domain_type>material</domain_type>
@@ -62,7 +62,7 @@
       <samples>100</samples>
       <lower_left>-1.0 -1.0 -6.0</lower_left>
       <upper_right>1.0 1.0 6.0</upper_right>
-      <threshold threshold="0.1" type="rel_err"/>
+      <threshold type="rel_err" threshold="0.1"/>
     </volume_calc>
     <volume_calc>
       <domain_type>cell</domain_type>
@@ -70,7 +70,7 @@
       <samples>100</samples>
       <lower_left>-1.0 -1.0 -6.0</lower_left>
       <upper_right>1.0 1.0 6.0</upper_right>
-      <threshold threshold="0.05" type="variance"/>
+      <threshold type="variance" threshold="0.05"/>
     </volume_calc>
   </settings>
   </model>
diff --git a/tests/regression_tests/weightwindows/inputs_true.dat b/tests/regression_tests/weightwindows/inputs_true.dat
index 91fec4af9..eb9393179 100644
--- a/tests/regression_tests/weightwindows/inputs_true.dat
+++ b/tests/regression_tests/weightwindows/inputs_true.dat
@@ -2,39 +2,39 @@
 <model>
   <materials>
     <material id="1">
-      <density units="g/cc" value="2.3"/>
-      <nuclide ao="0.168018676" name="H1"/>
-      <nuclide ao="1.93244e-05" name="H2"/>
-      <nuclide ao="0.561814465" name="O16"/>
-      <nuclide ao="0.00021401" name="O17"/>
-      <nuclide ao="0.021365" name="Na23"/>
-      <nuclide ao="0.021343" name="Al27"/>
-      <nuclide ao="0.187439342" name="Si28"/>
-      <nuclide ao="0.009517714" name="Si29"/>
-      <nuclide ao="0.006273944" name="Si30"/>
-      <nuclide ao="0.018026179" name="Ca40"/>
-      <nuclide ao="0.00012031" name="Ca42"/>
-      <nuclide ao="2.51033e-05" name="Ca43"/>
-      <nuclide ao="0.000387892" name="Ca44"/>
-      <nuclide ao="7.438e-07" name="Ca46"/>
-      <nuclide ao="3.47727e-05" name="Ca48"/>
-      <nuclide ao="0.000248179" name="Fe54"/>
-      <nuclide ao="0.003895875" name="Fe56"/>
-      <nuclide ao="8.99727e-05" name="Fe57"/>
-      <nuclide ao="1.19737e-05" name="Fe58"/>
+      <density value="2.3" units="g/cc"/>
+      <nuclide name="H1" ao="0.168018676"/>
+      <nuclide name="H2" ao="1.93244e-05"/>
+      <nuclide name="O16" ao="0.561814465"/>
+      <nuclide name="O17" ao="0.00021401"/>
+      <nuclide name="Na23" ao="0.021365"/>
+      <nuclide name="Al27" ao="0.021343"/>
+      <nuclide name="Si28" ao="0.187439342"/>
+      <nuclide name="Si29" ao="0.009517714"/>
+      <nuclide name="Si30" ao="0.006273944"/>
+      <nuclide name="Ca40" ao="0.018026179"/>
+      <nuclide name="Ca42" ao="0.00012031"/>
+      <nuclide name="Ca43" ao="2.51033e-05"/>
+      <nuclide name="Ca44" ao="0.000387892"/>
+      <nuclide name="Ca46" ao="7.438e-07"/>
+      <nuclide name="Ca48" ao="3.47727e-05"/>
+      <nuclide name="Fe54" ao="0.000248179"/>
+      <nuclide name="Fe56" ao="0.003895875"/>
+      <nuclide name="Fe57" ao="8.99727e-05"/>
+      <nuclide name="Fe58" ao="1.19737e-05"/>
     </material>
   </materials>
   <geometry>
     <cell id="1" material="1" region="-1" universe="1"/>
     <cell id="2" material="void" region="1 -2" universe="1"/>
-    <surface coeffs="0.0 0.0 0.0 240" id="1" type="sphere"/>
-    <surface boundary="vacuum" coeffs="0.0 0.0 0.0 250" id="2" type="sphere"/>
+    <surface id="1" type="sphere" coeffs="0.0 0.0 0.0 240"/>
+    <surface id="2" type="sphere" boundary="vacuum" coeffs="0.0 0.0 0.0 250"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
     <particles>200</particles>
     <batches>2</batches>
-    <source particle="neutron" strength="1.0" type="independent">
+    <source type="independent" strength="1.0" particle="neutron">
       <space type="point">
         <parameters>0.001 0.001 0.001</parameters>
       </space>
diff --git a/tests/regression_tests/weightwindows_fw_cadis/inputs_true.dat b/tests/regression_tests/weightwindows_fw_cadis/inputs_true.dat
index 586bbb120..448b4b145 100644
--- a/tests/regression_tests/weightwindows_fw_cadis/inputs_true.dat
+++ b/tests/regression_tests/weightwindows_fw_cadis/inputs_true.dat
@@ -3,24 +3,24 @@
   <materials>
     <cross_sections>mgxs.h5</cross_sections>
     <material id="1" name="source">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="source"/>
     </material>
     <material id="2" name="void">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="void"/>
     </material>
     <material id="3" name="absorber">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="absorber"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="infinite source region" universe="1"/>
-    <cell id="2" material="2" name="infinite void region" universe="2"/>
-    <cell id="3" material="3" name="infinite absorber region" universe="3"/>
-    <cell fill="4" id="4" universe="5"/>
-    <cell fill="5" id="5" name="full domain" region="1 -2 3 -4 5 -6" universe="6"/>
+    <cell id="1" name="infinite source region" material="1" universe="1"/>
+    <cell id="2" name="infinite void region" material="2" universe="2"/>
+    <cell id="3" name="infinite absorber region" material="3" universe="3"/>
+    <cell id="4" fill="4" universe="5"/>
+    <cell id="5" name="full domain" fill="5" region="1 -2 3 -4 5 -6" universe="6"/>
     <lattice id="4">
       <pitch>2.5 2.5 2.5</pitch>
       <dimension>12 12 12</dimension>
@@ -182,19 +182,19 @@
 3 3 3 3 3 3 3 3 3 3 3 3 
 3 3 3 3 3 3 3 3 3 3 3 3 </universes>
     </lattice>
-    <surface boundary="reflective" coeffs="0.0" id="1" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="30.0" id="2" type="x-plane"/>
-    <surface boundary="reflective" coeffs="0.0" id="3" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="30.0" id="4" type="y-plane"/>
-    <surface boundary="reflective" coeffs="0.0" id="5" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="30.0" id="6" type="z-plane"/>
+    <surface id="1" type="x-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="2" type="x-plane" boundary="vacuum" coeffs="30.0"/>
+    <surface id="3" type="y-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="4" type="y-plane" boundary="vacuum" coeffs="30.0"/>
+    <surface id="5" type="z-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="6" type="z-plane" boundary="vacuum" coeffs="30.0"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
     <particles>90</particles>
     <batches>10</batches>
     <inactive>5</inactive>
-    <source particle="neutron" strength="3.14" type="independent">
+    <source type="independent" strength="3.14" particle="neutron">
       <energy type="discrete">
         <parameters>100.0 1.0</parameters>
       </energy>
@@ -222,7 +222,7 @@
     <random_ray>
       <distance_active>500.0</distance_active>
       <distance_inactive>100.0</distance_inactive>
-      <source particle="neutron" strength="1.0" type="independent">
+      <source type="independent" strength="1.0" particle="neutron">
         <space type="box">
           <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
         </space>
diff --git a/tests/regression_tests/weightwindows_fw_cadis_mesh/flat/inputs_true.dat b/tests/regression_tests/weightwindows_fw_cadis_mesh/flat/inputs_true.dat
index ffb2ac112..d82aa6fae 100644
--- a/tests/regression_tests/weightwindows_fw_cadis_mesh/flat/inputs_true.dat
+++ b/tests/regression_tests/weightwindows_fw_cadis_mesh/flat/inputs_true.dat
@@ -3,24 +3,24 @@
   <materials>
     <cross_sections>mgxs.h5</cross_sections>
     <material id="1" name="source">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="source"/>
     </material>
     <material id="2" name="void">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="void"/>
     </material>
     <material id="3" name="absorber">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="absorber"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="infinite source region" universe="1"/>
-    <cell id="2" material="2" name="infinite void region" universe="2"/>
-    <cell id="3" material="3" name="infinite absorber region" universe="3"/>
-    <cell fill="4" id="4" universe="5"/>
-    <cell fill="5" id="5" name="full domain" region="1 -2 3 -4 5 -6" universe="6"/>
+    <cell id="1" name="infinite source region" material="1" universe="1"/>
+    <cell id="2" name="infinite void region" material="2" universe="2"/>
+    <cell id="3" name="infinite absorber region" material="3" universe="3"/>
+    <cell id="4" fill="4" universe="5"/>
+    <cell id="5" name="full domain" fill="5" region="1 -2 3 -4 5 -6" universe="6"/>
     <lattice id="4">
       <pitch>2.5 2.5 2.5</pitch>
       <dimension>12 12 12</dimension>
@@ -182,19 +182,19 @@
 3 3 3 3 3 3 3 3 3 3 3 3 
 3 3 3 3 3 3 3 3 3 3 3 3 </universes>
     </lattice>
-    <surface boundary="reflective" coeffs="0.0" id="1" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="30.0" id="2" type="x-plane"/>
-    <surface boundary="reflective" coeffs="0.0" id="3" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="30.0" id="4" type="y-plane"/>
-    <surface boundary="reflective" coeffs="0.0" id="5" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="30.0" id="6" type="z-plane"/>
+    <surface id="1" type="x-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="2" type="x-plane" boundary="vacuum" coeffs="30.0"/>
+    <surface id="3" type="y-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="4" type="y-plane" boundary="vacuum" coeffs="30.0"/>
+    <surface id="5" type="z-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="6" type="z-plane" boundary="vacuum" coeffs="30.0"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
     <particles>750</particles>
     <batches>30</batches>
     <inactive>20</inactive>
-    <source particle="neutron" strength="3.14" type="independent">
+    <source type="independent" strength="3.14" particle="neutron">
       <energy type="discrete">
         <parameters>100.0 1.0</parameters>
       </energy>
@@ -222,7 +222,7 @@
     <random_ray>
       <distance_active>500.0</distance_active>
       <distance_inactive>100.0</distance_inactive>
-      <source particle="neutron" strength="1.0" type="independent">
+      <source type="independent" strength="1.0" particle="neutron">
         <space type="box">
           <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
         </space>
diff --git a/tests/regression_tests/weightwindows_fw_cadis_mesh/linear/inputs_true.dat b/tests/regression_tests/weightwindows_fw_cadis_mesh/linear/inputs_true.dat
index 6aa91ca79..9e4b21d27 100644
--- a/tests/regression_tests/weightwindows_fw_cadis_mesh/linear/inputs_true.dat
+++ b/tests/regression_tests/weightwindows_fw_cadis_mesh/linear/inputs_true.dat
@@ -3,24 +3,24 @@
   <materials>
     <cross_sections>mgxs.h5</cross_sections>
     <material id="1" name="source">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="source"/>
     </material>
     <material id="2" name="void">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="void"/>
     </material>
     <material id="3" name="absorber">
-      <density units="macro" value="1.0"/>
+      <density value="1.0" units="macro"/>
       <macroscopic name="absorber"/>
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" name="infinite source region" universe="1"/>
-    <cell id="2" material="2" name="infinite void region" universe="2"/>
-    <cell id="3" material="3" name="infinite absorber region" universe="3"/>
-    <cell fill="4" id="4" universe="5"/>
-    <cell fill="5" id="5" name="full domain" region="1 -2 3 -4 5 -6" universe="6"/>
+    <cell id="1" name="infinite source region" material="1" universe="1"/>
+    <cell id="2" name="infinite void region" material="2" universe="2"/>
+    <cell id="3" name="infinite absorber region" material="3" universe="3"/>
+    <cell id="4" fill="4" universe="5"/>
+    <cell id="5" name="full domain" fill="5" region="1 -2 3 -4 5 -6" universe="6"/>
     <lattice id="4">
       <pitch>2.5 2.5 2.5</pitch>
       <dimension>12 12 12</dimension>
@@ -182,19 +182,19 @@
 3 3 3 3 3 3 3 3 3 3 3 3 
 3 3 3 3 3 3 3 3 3 3 3 3 </universes>
     </lattice>
-    <surface boundary="reflective" coeffs="0.0" id="1" type="x-plane"/>
-    <surface boundary="vacuum" coeffs="30.0" id="2" type="x-plane"/>
-    <surface boundary="reflective" coeffs="0.0" id="3" type="y-plane"/>
-    <surface boundary="vacuum" coeffs="30.0" id="4" type="y-plane"/>
-    <surface boundary="reflective" coeffs="0.0" id="5" type="z-plane"/>
-    <surface boundary="vacuum" coeffs="30.0" id="6" type="z-plane"/>
+    <surface id="1" type="x-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="2" type="x-plane" boundary="vacuum" coeffs="30.0"/>
+    <surface id="3" type="y-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="4" type="y-plane" boundary="vacuum" coeffs="30.0"/>
+    <surface id="5" type="z-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="6" type="z-plane" boundary="vacuum" coeffs="30.0"/>
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
     <particles>750</particles>
     <batches>30</batches>
     <inactive>20</inactive>
-    <source particle="neutron" strength="3.14" type="independent">
+    <source type="independent" strength="3.14" particle="neutron">
       <energy type="discrete">
         <parameters>100.0 1.0</parameters>
       </energy>
@@ -222,7 +222,7 @@
     <random_ray>
       <distance_active>500.0</distance_active>
       <distance_inactive>100.0</distance_inactive>
-      <source particle="neutron" strength="1.0" type="independent">
+      <source type="independent" strength="1.0" particle="neutron">
         <space type="box">
           <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
         </space>

From e36c0aef2f9603cec8ad3b171b7667ed9ab773ff Mon Sep 17 00:00:00 2001
From: Boris Polania <boris.polania@gmail.com>
Date: Fri, 8 Aug 2025 07:09:24 -0700
Subject: [PATCH 2369/2654] Add stat:sum field to MCPL files for proper weight
 normalization (#3522)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 include/openmc/mcpl_interface.h             |  13 ++-
 src/mcpl_interface.cpp                      |  36 +++++++
 tests/cpp_unit_tests/CMakeLists.txt         |   1 +
 tests/cpp_unit_tests/test_mcpl_stat_sum.cpp | 108 ++++++++++++++++++++
 tests/unit_tests/test_mcpl_stat_sum.py      |  69 +++++++++++++
 5 files changed, 225 insertions(+), 2 deletions(-)
 create mode 100644 tests/cpp_unit_tests/test_mcpl_stat_sum.cpp
 create mode 100644 tests/unit_tests/test_mcpl_stat_sum.py

diff --git a/include/openmc/mcpl_interface.h b/include/openmc/mcpl_interface.h
index f7323e10a..a76d72e64 100644
--- a/include/openmc/mcpl_interface.h
+++ b/include/openmc/mcpl_interface.h
@@ -19,8 +19,17 @@ namespace openmc {
 //! \return  Vector of source sites
 vector<SourceSite> mcpl_source_sites(std::string path);
 
-//! Write an MCPL source file
-//
+//! Write an MCPL source file with stat:sum metadata
+//!
+//! This function writes particle data to an MCPL file. For MCPL >= 2.1.0,
+//! it includes a stat:sum field (key: "openmc_np1") containing the total
+//! number of source particles, which is essential for proper file merging
+//! and weight normalization when using MCPL files with McStas/McXtrace.
+//!
+//! The stat:sum field follows the crash-safety pattern:
+//! - Initially set to -1 when opening (indicates incomplete file)
+//! - Updated with actual particle count before closing
+//!
 //! \param[in] filename     Path to MCPL file
 //! \param[in] source_bank  Vector of SourceSites to write to file for this
 //!                         MPI rank.
diff --git a/src/mcpl_interface.cpp b/src/mcpl_interface.cpp
index 13915c3b8..b8e780710 100644
--- a/src/mcpl_interface.cpp
+++ b/src/mcpl_interface.cpp
@@ -67,6 +67,8 @@ using mcpl_hdr_set_srcname_fpt = void (*)(
 using mcpl_add_particle_fpt = void (*)(
   mcpl_outfile_t* outfile_handle, const mcpl_particle_repr_t* particle);
 using mcpl_close_outfile_fpt = void (*)(mcpl_outfile_t* outfile_handle);
+using mcpl_hdr_add_stat_sum_fpt = void (*)(
+  mcpl_outfile_t* outfile_handle, const char* key, double value);
 
 namespace openmc {
 
@@ -110,6 +112,7 @@ struct McplApi {
   mcpl_hdr_set_srcname_fpt hdr_set_srcname;
   mcpl_add_particle_fpt add_particle;
   mcpl_close_outfile_fpt close_outfile;
+  mcpl_hdr_add_stat_sum_fpt hdr_add_stat_sum;
 
   explicit McplApi(LibraryHandleType lib_handle)
   {
@@ -147,6 +150,15 @@ struct McplApi {
       load_symbol_platform("mcpl_add_particle"));
     close_outfile = reinterpret_cast<mcpl_close_outfile_fpt>(
       load_symbol_platform("mcpl_close_outfile"));
+
+    // Try to load mcpl_hdr_add_stat_sum (available in MCPL >= 2.1.0)
+    // Set to nullptr if not available for graceful fallback
+    try {
+      hdr_add_stat_sum = reinterpret_cast<mcpl_hdr_add_stat_sum_fpt>(
+        load_symbol_platform("mcpl_hdr_add_stat_sum"));
+    } catch (const std::runtime_error&) {
+      hdr_add_stat_sum = nullptr;
+    }
   }
 };
 
@@ -498,12 +510,36 @@ void write_mcpl_source_point(const char* filename, span<SourceSite> source_bank,
         "OpenMC {}.{}.{}", VERSION_MAJOR, VERSION_MINOR, VERSION_RELEASE);
     }
     g_mcpl_api->hdr_set_srcname(file_id, src_line.c_str());
+
+    // Initialize stat:sum with -1 to indicate incomplete file (issue #3514)
+    // This follows MCPL >= 2.1.0 convention for tracking simulation statistics
+    // The -1 value indicates "not available" if file creation is interrupted
+    if (g_mcpl_api->hdr_add_stat_sum) {
+      // Using key "openmc_np1" following tkittel's recommendation
+      // Initial value of -1 prevents misleading values in case of crashes
+      g_mcpl_api->hdr_add_stat_sum(file_id, "openmc_np1", -1.0);
+    }
   }
 
   write_mcpl_source_bank_internal(file_id, source_bank, bank_index);
 
   if (mpi::master) {
     if (file_id) {
+      // Update stat:sum with actual particle count before closing (issue #3514)
+      // This represents the original number of source particles in the
+      // simulation (not the number of particles in the file)
+      if (g_mcpl_api->hdr_add_stat_sum) {
+        // Calculate total source particles from active batches
+        // Per issue #3514: this should be the original number of source
+        // particles, not the number written to the file
+        int64_t total_source_particles =
+          static_cast<int64_t>(settings::n_batches - settings::n_inactive) *
+          settings::gen_per_batch * settings::n_particles;
+        // Update with actual count - this overwrites the initial -1 value
+        g_mcpl_api->hdr_add_stat_sum(
+          file_id, "openmc_np1", static_cast<double>(total_source_particles));
+      }
+
       g_mcpl_api->close_outfile(file_id);
     }
   }
diff --git a/tests/cpp_unit_tests/CMakeLists.txt b/tests/cpp_unit_tests/CMakeLists.txt
index f0f5f2853..8fedc2daa 100644
--- a/tests/cpp_unit_tests/CMakeLists.txt
+++ b/tests/cpp_unit_tests/CMakeLists.txt
@@ -4,6 +4,7 @@ set(TEST_NAMES
   test_tally
   test_interpolate
   test_math
+  test_mcpl_stat_sum
   # Add additional unit test files here
 )
 
diff --git a/tests/cpp_unit_tests/test_mcpl_stat_sum.cpp b/tests/cpp_unit_tests/test_mcpl_stat_sum.cpp
new file mode 100644
index 000000000..909830e03
--- /dev/null
+++ b/tests/cpp_unit_tests/test_mcpl_stat_sum.cpp
@@ -0,0 +1,108 @@
+#include <catch2/catch_test_macros.hpp>
+#include <cstdio>
+#include <string>
+#include <vector>
+
+#include "openmc/bank.h"
+#include "openmc/mcpl_interface.h"
+
+// Test the MCPL stat:sum functionality (issue #3514)
+TEST_CASE("MCPL stat:sum field")
+{
+  // Check if MCPL interface is available
+  if (!openmc::is_mcpl_interface_available()) {
+    SKIP("MCPL library not available");
+  }
+
+  SECTION("stat:sum field is written to MCPL files")
+  {
+    // Create a temporary filename
+    std::string filename = "test_stat_sum.mcpl";
+
+    // Create some test particles
+    std::vector<openmc::SourceSite> source_bank(100);
+    std::vector<int64_t> bank_index = {0, 100}; // 100 particles total
+
+    // Initialize test particles
+    for (int i = 0; i < 100; ++i) {
+      source_bank[i].particle = openmc::ParticleType::neutron;
+      source_bank[i].r = {i * 0.1, i * 0.2, i * 0.3};
+      source_bank[i].u = {0.0, 0.0, 1.0};
+      source_bank[i].E = 2.0e6; // 2 MeV
+      source_bank[i].time = 0.0;
+      source_bank[i].wgt = 1.0;
+    }
+
+    // Write the MCPL file
+    openmc::write_mcpl_source_point(filename.c_str(), source_bank, bank_index);
+
+    // Verify the file was created
+    FILE* f = std::fopen(filename.c_str(), "r");
+    REQUIRE(f != nullptr);
+    std::fclose(f);
+
+    // Read the file back to check stat:sum
+    // Note: This would require mcpl_open_file and checking the header
+    // Since we can't easily read MCPL headers in C++ without the full MCPL API,
+    // we rely on the Python test to verify the actual content
+
+    // Clean up
+    std::remove(filename.c_str());
+  }
+
+  SECTION("stat:sum uses correct particle count")
+  {
+    std::string filename = "test_count.mcpl";
+
+    // Test with different particle counts
+    std::vector<int> test_counts = {1, 10, 100, 1000};
+
+    for (int count : test_counts) {
+      std::vector<openmc::SourceSite> source_bank(count);
+      std::vector<int64_t> bank_index = {0, count};
+
+      // Initialize particles
+      for (int i = 0; i < count; ++i) {
+        source_bank[i].particle = openmc::ParticleType::neutron;
+        source_bank[i].r = {0.0, 0.0, 0.0};
+        source_bank[i].u = {0.0, 0.0, 1.0};
+        source_bank[i].E = 1.0e6;
+        source_bank[i].time = 0.0;
+        source_bank[i].wgt = 1.0;
+      }
+
+      // Write MCPL file
+      openmc::write_mcpl_source_point(
+        filename.c_str(), source_bank, bank_index);
+
+      // The stat:sum should equal count (verified by Python test)
+      // Here we just verify the file was created successfully
+      FILE* f = std::fopen(filename.c_str(), "r");
+      REQUIRE(f != nullptr);
+      std::fclose(f);
+
+      // Clean up
+      std::remove(filename.c_str());
+    }
+  }
+
+  SECTION("stat:sum handles empty particle bank")
+  {
+    std::string filename = "test_empty.mcpl";
+
+    // Create empty particle bank
+    std::vector<openmc::SourceSite> source_bank;
+    std::vector<int64_t> bank_index = {0};
+
+    // This should still create a valid MCPL file with stat:sum = 0
+    openmc::write_mcpl_source_point(filename.c_str(), source_bank, bank_index);
+
+    // Verify file was created
+    FILE* f = std::fopen(filename.c_str(), "r");
+    REQUIRE(f != nullptr);
+    std::fclose(f);
+
+    // Clean up
+    std::remove(filename.c_str());
+  }
+}
diff --git a/tests/unit_tests/test_mcpl_stat_sum.py b/tests/unit_tests/test_mcpl_stat_sum.py
new file mode 100644
index 000000000..b69192956
--- /dev/null
+++ b/tests/unit_tests/test_mcpl_stat_sum.py
@@ -0,0 +1,69 @@
+"""Test for MCPL stat:sum functionality"""
+
+from pathlib import Path
+import shutil
+
+import pytest
+import openmc
+
+
+@pytest.mark.skipif(shutil.which("mcpl-config") is None, reason="MCPL is not available.")
+def test_mcpl_stat_sum_field(run_in_tmpdir):
+    """Test that MCPL files contain proper stat:sum field with particle count.
+
+    This test verifies that when OpenMC creates MCPL source files, they contain
+    the stat:sum field. Since MCPL functions are not exposed in the Python API,
+    this test creates an actual OpenMC simulation to generate MCPL files and
+    then checks their content.
+    """
+
+    mcpl = pytest.importorskip("mcpl")
+
+    # Create a minimal working model that will generate MCPL files
+    model = openmc.examples.pwr_pin_cell()
+    model.settings.batches = 5
+    model.settings.inactive = 2
+    model.settings.particles = 1000
+    model.settings.sourcepoint = {'mcpl': True, 'separate': True}
+
+    # Run a short simulation to generate MCPL files
+    model.run(output=False)
+
+    # Find the generated MCPL file (from the last batch)
+    mcpl_file = Path('source.5.mcpl')
+    assert mcpl_file.exists(), "No MCPL files were generated"
+
+    # Open and verify the stat:sum field exists
+    with mcpl.MCPLFile(mcpl_file) as f:
+        # Check if stat:sum field exists using convenience property
+        if hasattr(f, 'stat_sum'):
+            # Use the convenience .stat_sum property directly
+            stat_sum_dict = f.stat_sum
+            assert 'openmc_np1' in stat_sum_dict, "openmc_np1 key not found in stat_sum"
+            stat_sum_value = int(stat_sum_dict['openmc_np1'])
+        else:
+            # Fallback to checking comments for older MCPL versions
+            comments = f.comments
+
+            # Check for stat:sum in comments (MCPL stores these as comments)
+            stat_sum_value = None
+
+            for comment in comments:
+                if 'stat:sum:openmc_np1' in comment:
+                    # Extract the value
+                    parts = comment.split(':')
+                    if len(parts) >= 4:
+                        stat_sum_value = int(parts[3].strip())
+                    break
+            else:
+                pytest.skip("stat:sum field not found - may be running with MCPL < 2.1.0")
+
+    # Verify the stat:sum value is reasonable
+    assert stat_sum_value != -1, "stat:sum was not updated from initial -1 value"
+
+    # In eigenvalue mode, active batches generate source particles
+    active_batches = model.settings.batches - model.settings.inactive  # 3 active batches
+    expected_particles = active_batches * model.settings.particles     # 3000 total
+
+    assert stat_sum_value == expected_particles, \
+        f"stat:sum value {stat_sum_value} doesn't match expected {expected_particles}"

From a11021cd07bf43b2ea3070222cd916a737b6ed80 Mon Sep 17 00:00:00 2001
From: GuySten <62616591+GuySten@users.noreply.github.com>
Date: Fri, 8 Aug 2025 20:47:55 +0300
Subject: [PATCH 2370/2654] Consistent XML parsing using functions from _xml
 module (#3517)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/_xml.py               |  14 ++--
 openmc/cell.py               |  22 +++---
 openmc/dagmc.py              |   8 +-
 openmc/data/library.py       |  10 +--
 openmc/deplete/chain.py      |   3 +-
 openmc/deplete/nuclide.py    |  34 +++++----
 openmc/filter.py             |  49 ++++++-------
 openmc/filter_expansion.py   |  31 ++++----
 openmc/lattice.py            |  21 +++---
 openmc/material.py           |  43 ++++++-----
 openmc/mesh.py               |  42 +++++------
 openmc/plots.py              | 137 +++++++++++++++++------------------
 openmc/settings.py           |  55 +++++++-------
 openmc/source.py             |  12 +--
 openmc/stats/multivariate.py |  34 ++++-----
 openmc/stats/univariate.py   |  25 +++----
 openmc/surface.py            |  13 ++--
 openmc/tallies.py            |  35 +++++----
 openmc/tally_derivative.py   |   9 ++-
 openmc/trigger.py            |  11 +--
 openmc/volume.py             |  11 +--
 openmc/weight_windows.py     |  15 ++--
 22 files changed, 313 insertions(+), 321 deletions(-)

diff --git a/openmc/_xml.py b/openmc/_xml.py
index 05412128d..758d80525 100644
--- a/openmc/_xml.py
+++ b/openmc/_xml.py
@@ -64,8 +64,8 @@ def get_text(elem, name, default=None):
 
 
 
-def get_elem_tuple(elem, name, dtype=int):
-    """Helper function to get a tuple of values from an elem
+def get_elem_list(elem, name, dtype=int):
+    """Helper function to get a list of values from an elem
 
     Parameters
     ----------
@@ -78,9 +78,9 @@ def get_elem_tuple(elem, name, dtype=int):
 
     Returns
     -------
-    tuple of dtype
-        Data read from the tuple
+    list of dtype
+        Data read from the list
     """
-    subelem = elem.find(name)
-    if subelem is not None:
-        return tuple([dtype(x) for x in subelem.text.split()])
+    text = get_text(elem, name)
+    if text is not None:
+        return [dtype(x) for x in text.split()]
diff --git a/openmc/cell.py b/openmc/cell.py
index cd0573e8b..672afe095 100644
--- a/openmc/cell.py
+++ b/openmc/cell.py
@@ -8,7 +8,7 @@ from uncertainties import UFloat
 
 import openmc
 import openmc.checkvalue as cv
-from ._xml import get_text
+from ._xml import get_elem_list, get_text
 from .mixin import IDManagerMixin
 from .plots import add_plot_params
 from .region import Region, Complement
@@ -689,9 +689,8 @@ class Cell(IDManagerMixin):
         c = cls(cell_id, name)
 
         # Assign material/distributed materials or fill
-        mat_text = get_text(elem, 'material')
-        if mat_text is not None:
-            mat_ids = mat_text.split()
+        mat_ids = get_elem_list(elem, 'material', str)
+        if mat_ids is not None:
             if len(mat_ids) > 1:
                 c.fill = [materials[i] for i in mat_ids]
             else:
@@ -706,19 +705,18 @@ class Cell(IDManagerMixin):
             c.region = Region.from_expression(region, surfaces)
 
         # Check for other attributes
-        t = get_text(elem, 'temperature')
-        if t is not None:
-            if ' ' in t:
-                c.temperature = [float(t_i) for t_i in t.split()]
+        temperature = get_elem_list(elem, 'temperature', float)
+        if temperature is not None:
+            if len(temperature) > 1:
+                c.temperature = temperature
             else:
-                c.temperature = float(t)
+                c.temperature = temperature[0]
         v = get_text(elem, 'volume')
         if v is not None:
             c.volume = float(v)
         for key in ('temperature', 'rotation', 'translation'):
-            value = get_text(elem, key)
-            if value is not None:
-                values = [float(x) for x in value.split()]
+            values = get_elem_list(elem, key, float)
+            if values is not None:
                 if key == 'rotation' and len(values) == 9:
                     values = np.array(values).reshape(3, 3)
                 setattr(c, key, values)
diff --git a/openmc/dagmc.py b/openmc/dagmc.py
index 2486f7516..d1265be26 100644
--- a/openmc/dagmc.py
+++ b/openmc/dagmc.py
@@ -8,7 +8,7 @@ import warnings
 
 import openmc
 import openmc.checkvalue as cv
-from ._xml import get_text
+from ._xml import get_elem_list, get_text
 from .checkvalue import check_type, check_value
 from .surface import _BOUNDARY_TYPES
 from .bounding_box import BoundingBox
@@ -468,8 +468,8 @@ class DAGMCUniverse(openmc.UniverseBase):
         if name is not None:
             out.name = name
 
-        out.auto_geom_ids = bool(elem.get('auto_geom_ids'))
-        out.auto_mat_ids = bool(elem.get('auto_mat_ids'))
+        out.auto_geom_ids = bool(get_text(elem, "auto_geom_ids"))
+        out.auto_mat_ids = bool(get_text(elem, "auto_mat_ids"))
 
         el_mat_override = elem.find('material_overrides')
         if el_mat_override is not None:
@@ -480,7 +480,7 @@ class DAGMCUniverse(openmc.UniverseBase):
             out._material_overrides = {}
             for elem in el_mat_override.findall('cell_override'):
                 cell_id = int(get_text(elem, 'id'))
-                mat_ids = get_text(elem, 'material_ids').split(' ')
+                mat_ids = get_elem_list(elem, "material_ids", str) or []
                 mat_objs = [mats[mat_id] for mat_id in mat_ids]
                 out._material_overrides[cell_id] = mat_objs
 
diff --git a/openmc/data/library.py b/openmc/data/library.py
index bec538c06..b49757b0d 100644
--- a/openmc/data/library.py
+++ b/openmc/data/library.py
@@ -5,7 +5,7 @@ import h5py
 import lxml.etree as ET
 
 import openmc
-from openmc._xml import clean_indentation
+from openmc._xml import get_elem_list, get_text, clean_indentation
 
 
 class DataLibrary(list):
@@ -172,9 +172,9 @@ class DataLibrary(list):
             directory = os.path.dirname(path)
 
         for lib_element in root.findall('library'):
-            filename = os.path.join(directory, lib_element.attrib['path'])
-            filetype = lib_element.attrib['type']
-            materials = lib_element.attrib['materials'].split()
+            filename = os.path.join(directory, get_text(lib_element, "path"))
+            filetype = get_text(lib_element, "type")
+            materials = get_elem_list(lib_element, "materials", str) or []
             library = {'path': filename, 'type': filetype,
                        'materials': materials}
             data.libraries.append(library)
@@ -182,7 +182,7 @@ class DataLibrary(list):
         # get depletion chain data
         dep_node = root.find("depletion_chain")
         if dep_node is not None:
-            filename = os.path.join(directory, dep_node.attrib['path'])
+            filename = os.path.join(directory, get_text(dep_node, "path"))
             library = {'path': filename, 'type': 'depletion_chain',
                        'materials': []}
             data.libraries.append(library)
diff --git a/openmc/deplete/chain.py b/openmc/deplete/chain.py
index 8e24f716b..f1a23317f 100644
--- a/openmc/deplete/chain.py
+++ b/openmc/deplete/chain.py
@@ -22,6 +22,7 @@ from openmc.checkvalue import check_type, check_greater_than, PathLike
 from openmc.data import gnds_name, zam
 from openmc.exceptions import DataError
 from .nuclide import FissionYieldDistribution, Nuclide
+from .._xml import get_text
 import openmc.data
 
 
@@ -553,7 +554,7 @@ class Chain:
         root = ET.parse(str(filename))
 
         for i, nuclide_elem in enumerate(root.findall('nuclide')):
-            this_q = fission_q.get(nuclide_elem.get("name"))
+            this_q = fission_q.get(get_text(nuclide_elem, "name"))
 
             nuc = Nuclide.from_xml(nuclide_elem, root, this_q)
             chain.add_nuclide(nuc)
diff --git a/openmc/deplete/nuclide.py b/openmc/deplete/nuclide.py
index 60e3e5317..958814834 100644
--- a/openmc/deplete/nuclide.py
+++ b/openmc/deplete/nuclide.py
@@ -14,6 +14,7 @@ import numpy as np
 
 from openmc.checkvalue import check_type
 from openmc.stats import Univariate
+from .._xml import get_elem_list, get_text
 
 __all__ = [
     "DecayTuple", "ReactionTuple", "Nuclide", "FissionYield",
@@ -225,38 +226,39 @@ class Nuclide:
 
         """
         nuc = cls()
-        nuc.name = element.get('name')
+        nuc.name = get_text(element, "name")
 
         # Check for half-life
-        if 'half_life' in element.attrib:
-            nuc.half_life = float(element.get('half_life'))
-            nuc.decay_energy = float(element.get('decay_energy', '0'))
+        half_life = get_text(element, "half_life")
+        if half_life is not None:
+            nuc.half_life = float(half_life)
+            nuc.decay_energy = float(get_text(element, "decay_energy", 0.0))
 
         # Check for decay paths
         for decay_elem in element.iter('decay'):
-            d_type = decay_elem.get('type')
-            target = decay_elem.get('target')
+            d_type = get_text(decay_elem, "type")
+            target = get_text(decay_elem, "target")
             if target is not None and target.lower() == "nothing":
                 target = None
-            branching_ratio = float(decay_elem.get('branching_ratio'))
+            branching_ratio = float(get_text(decay_elem, "branching_ratio"))
             nuc.decay_modes.append(DecayTuple(d_type, target, branching_ratio))
 
         # Check for sources
         for src_elem in element.iter('source'):
-            particle = src_elem.get('particle')
+            particle = get_text(src_elem, "particle")
             distribution = Univariate.from_xml_element(src_elem)
             nuc.sources[particle] = distribution
 
         # Check for reaction paths
         for reaction_elem in element.iter('reaction'):
-            r_type = reaction_elem.get('type')
-            Q = float(reaction_elem.get('Q', '0'))
-            branching_ratio = float(reaction_elem.get('branching_ratio', '1'))
+            r_type = get_text(reaction_elem, "type")
+            Q = float(get_text(reaction_elem, "Q", 0.0))
+            branching_ratio = float(get_text(reaction_elem, "branching_ratio", 1.0))
 
             # If the type is not fission, get target and Q value, otherwise
             # just set null values
             if r_type != 'fission':
-                target = reaction_elem.get('target')
+                target = get_text(reaction_elem, "target")
                 if target is not None and target.lower() == "nothing":
                     target = None
             else:
@@ -271,7 +273,7 @@ class Nuclide:
         fpy_elem = element.find('neutron_fission_yields')
         if fpy_elem is not None:
             # Check for use of FPY from other nuclide
-            parent = fpy_elem.get('parent')
+            parent = get_text(fpy_elem, "parent")
             if parent is not None:
                 assert root is not None
                 fpy_elem = root.find(
@@ -529,9 +531,9 @@ class FissionYieldDistribution(Mapping):
         """
         all_yields = {}
         for yield_elem in element.iter("fission_yields"):
-            energy = float(yield_elem.get("energy"))
-            products = yield_elem.find("products").text.split()
-            yields = map(float, yield_elem.find("data").text.split())
+            energy = float(get_text(yield_elem, "energy"))
+            products = get_elem_list(yield_elem, "products", str) or []
+            yields = get_elem_list(yield_elem, "data", float) or []
             # Get a map of products to their corresponding yield
             all_yields[energy] = dict(zip(products, yields))
 
diff --git a/openmc/filter.py b/openmc/filter.py
index 53fec898f..6a666d2a0 100644
--- a/openmc/filter.py
+++ b/openmc/filter.py
@@ -17,7 +17,7 @@ from .material import Material
 from .mixin import IDManagerMixin
 from .surface import Surface
 from .universe import UniverseBase
-from ._xml import get_text
+from ._xml import get_elem_list, get_text
 
 
 _FILTER_TYPES = (
@@ -259,17 +259,15 @@ class Filter(IDManagerMixin, metaclass=FilterMeta):
             Filter object
 
         """
-        filter_type = elem.get('type')
-        if filter_type is None:
-            filter_type = elem.find('type').text
+        filter_type = get_text(elem, "type")
 
         # If the filter type matches this class's short_name, then
         # there is no overridden from_xml_element method
         if filter_type == cls.short_name.lower():
             # Get bins from element -- the default here works for any filters
             # that just store a list of bins that can be represented as integers
-            filter_id = int(elem.get('id'))
-            bins = [int(x) for x in get_text(elem, 'bins').split()]
+            filter_id = int(get_text(elem, "id"))
+            bins = get_elem_list(elem, "bins", int) or []
             return cls(bins, filter_id=filter_id)
 
         # Search through all subclasses and find the one matching the HDF5
@@ -701,8 +699,8 @@ class CellInstanceFilter(Filter):
 
     @classmethod
     def from_xml_element(cls, elem, **kwargs):
-        filter_id = int(elem.get('id'))
-        bins = [int(x) for x in get_text(elem, 'bins').split()]
+        filter_id = int(get_text(elem, "id"))
+        bins = get_elem_list(elem, "bins", int) or []
         cell_instances = list(zip(bins[::2], bins[1::2]))
         return cls(cell_instances, filter_id=filter_id)
 
@@ -784,8 +782,8 @@ class ParticleFilter(Filter):
 
     @classmethod
     def from_xml_element(cls, elem, **kwargs):
-        filter_id = int(elem.get('id'))
-        bins = get_text(elem, 'bins').split()
+        filter_id = int(get_text(elem, "id"))
+        bins = get_elem_list(elem, "bins", str) or []
         return cls(bins, filter_id=filter_id)
 
 
@@ -1004,12 +1002,12 @@ class MeshFilter(Filter):
     def from_xml_element(cls, elem: ET.Element, **kwargs) -> MeshFilter:
         mesh_id = int(get_text(elem, 'bins'))
         mesh_obj = kwargs['meshes'][mesh_id]
-        filter_id = int(elem.get('id'))
+        filter_id = int(get_text(elem, "id"))
         out = cls(mesh_obj, filter_id=filter_id)
 
-        translation = elem.get('translation')
+        translation = get_elem_list(elem, "translation", float) or []
         if translation:
-            out.translation = [float(x) for x in translation.split()]
+            out.translation = translation
         return out
 
 
@@ -1149,16 +1147,16 @@ class MeshMaterialFilter(MeshFilter):
 
     @classmethod
     def from_xml_element(cls, elem: ET.Element, **kwargs) -> MeshMaterialFilter:
-        filter_id = int(elem.get('id'))
-        mesh_id = int(elem.get('mesh'))
+        filter_id = int(get_text(elem, "id"))
+        mesh_id = int(get_text(elem, "mesh"))
         mesh_obj = kwargs['meshes'][mesh_id]
-        bins = [int(x) for x in get_text(elem, 'bins').split()]
+        bins = get_elem_list(elem, "bins", int) or []
         bins = list(zip(bins[::2], bins[1::2]))
         out = cls(mesh_obj, bins, filter_id=filter_id)
 
-        translation = elem.get('translation')
+        translation = get_elem_list(elem, "translation", float) or []
         if translation:
-            out.translation = [float(x) for x in translation.split()]
+            out.translation = translation
         return out
 
     @classmethod
@@ -1557,8 +1555,8 @@ class RealFilter(Filter):
 
     @classmethod
     def from_xml_element(cls, elem, **kwargs):
-        filter_id = int(elem.get('id'))
-        bins = [float(x) for x in get_text(elem, 'bins').split()]
+        filter_id = int(get_text(elem, "id"))
+        bins = get_elem_list(elem, "bins", float) or []
         return cls(bins, filter_id=filter_id)
 
 
@@ -2447,12 +2445,13 @@ class EnergyFunctionFilter(Filter):
 
     @classmethod
     def from_xml_element(cls, elem, **kwargs):
-        filter_id = int(elem.get('id'))
-        energy = [float(x) for x in get_text(elem, 'energy').split()]
-        y = [float(x) for x in get_text(elem, 'y').split()]
+        filter_id = int(get_text(elem, "id"))
+        energy = get_elem_list(elem, "energy", float) or []
+        y = get_elem_list(elem, "y", float) or []
         out = cls(energy, y, filter_id=filter_id)
-        if elem.find('interpolation') is not None:
-            out.interpolation = elem.find('interpolation').text
+        interpolation = get_text(elem, "interpolation")
+        if interpolation is not None:
+            out.interpolation = interpolation
         return out
 
     def can_merge(self, other):
diff --git a/openmc/filter_expansion.py b/openmc/filter_expansion.py
index cdb2f20e0..b79c8fc79 100644
--- a/openmc/filter_expansion.py
+++ b/openmc/filter_expansion.py
@@ -4,6 +4,7 @@ import lxml.etree as ET
 
 import openmc.checkvalue as cv
 from .filter import Filter
+from ._xml import get_text
 
 
 class ExpansionFilter(Filter):
@@ -49,8 +50,8 @@ class ExpansionFilter(Filter):
 
     @classmethod
     def from_xml_element(cls, elem, **kwargs):
-        filter_id = int(elem.get('id'))
-        order = int(elem.find('order').text)
+        filter_id = int(get_text(elem, "id"))
+        order = int(get_text(elem, "order"))
         return cls(order, filter_id=filter_id)
 
     def merge(self, other):
@@ -263,11 +264,11 @@ class SpatialLegendreFilter(ExpansionFilter):
 
     @classmethod
     def from_xml_element(cls, elem, **kwargs):
-        filter_id = int(elem.get('id'))
-        order = int(elem.find('order').text)
-        axis = elem.find('axis').text
-        minimum = float(elem.find('min').text)
-        maximum = float(elem.find('max').text)
+        filter_id = int(get_text(elem, "id"))
+        order = int(get_text(elem, "order"))
+        axis = get_text(elem, "axis")
+        minimum = float(get_text(elem, "min"))
+        maximum = float(get_text(elem, "max"))
         return cls(order, axis, minimum, maximum, filter_id=filter_id)
 
 
@@ -362,10 +363,10 @@ class SphericalHarmonicsFilter(ExpansionFilter):
 
     @classmethod
     def from_xml_element(cls, elem, **kwargs):
-        filter_id = int(elem.get('id'))
-        order = int(elem.find('order').text)
+        filter_id = int(get_text(elem, "id"))
+        order = int(get_text(elem, "order"))
         filter = cls(order, filter_id=filter_id)
-        filter.cosine = elem.get('cosine')
+        filter.cosine = get_text(elem, "cosine")
         return filter
 
 
@@ -518,11 +519,11 @@ class ZernikeFilter(ExpansionFilter):
 
     @classmethod
     def from_xml_element(cls, elem, **kwargs):
-        filter_id = int(elem.get('id'))
-        order = int(elem.find('order').text)
-        x = float(elem.find('x').text)
-        y = float(elem.find('y').text)
-        r = float(elem.find('r').text)
+        filter_id = int(get_text(elem, "id"))
+        order = int(get_text(elem, "order"))
+        x = float(get_text(elem, "x"))
+        y = float(get_text(elem, "y"))
+        r = float(get_text(elem, "r"))
         return cls(order, x, y, r, filter_id=filter_id)
 
 
diff --git a/openmc/lattice.py b/openmc/lattice.py
index 518068560..f0e8b40b0 100644
--- a/openmc/lattice.py
+++ b/openmc/lattice.py
@@ -10,7 +10,7 @@ import numpy as np
 
 import openmc
 import openmc.checkvalue as cv
-from ._xml import get_text
+from ._xml import get_elem_list, get_text
 from .mixin import IDManagerMixin
 
 
@@ -959,18 +959,17 @@ class RectLattice(Lattice):
         lat_id = int(get_text(elem, 'id'))
         name = get_text(elem, 'name')
         lat = cls(lat_id, name)
-        lat.lower_left = [float(i)
-                          for i in get_text(elem, 'lower_left').split()]
-        lat.pitch = [float(i) for i in get_text(elem, 'pitch').split()]
+        lat.lower_left = get_elem_list(elem, "lower_left", float)
+        lat.pitch = get_elem_list(elem, "pitch", float)
         outer = get_text(elem, 'outer')
         if outer is not None:
             lat.outer = get_universe(int(outer))
 
         # Get array of universes
-        dimension = get_text(elem, 'dimension').split()
+        dimension = get_elem_list(elem, 'dimension', int)
         shape = np.array(dimension, dtype=int)[::-1]
-        uarray = np.array([get_universe(int(i)) for i in
-                           get_text(elem, 'universes').split()])
+        universes = get_elem_list(elem, 'universes', int)
+        uarray = np.array([get_universe(u) for u in universes])
         uarray.shape = shape
         lat.universes = uarray
         return lat
@@ -1530,8 +1529,8 @@ class HexLattice(Lattice):
         lat_id = int(get_text(elem, 'id'))
         name = get_text(elem, 'name')
         lat = cls(lat_id, name)
-        lat.center = [float(i) for i in get_text(elem, 'center').split()]
-        lat.pitch = [float(i) for i in get_text(elem, 'pitch').split()]
+        lat.center = get_elem_list(elem, "center", float)
+        lat.pitch = get_elem_list(elem, "pitch", float)
         lat.orientation = get_text(elem, 'orientation', 'y')
         outer = get_text(elem, 'outer')
         if outer is not None:
@@ -1548,8 +1547,8 @@ class HexLattice(Lattice):
             univs = [deepcopy(univs) for i in range(n_axial)]
 
         # Get flat array of universes
-        uarray = np.array([get_universe(int(i)) for i in
-                           get_text(elem, 'universes').split()])
+        universes = get_elem_list(elem, "universes", int)
+        uarray = np.array([get_universe(u) for u in universes])
 
         # Fill nested lists
         j = 0
diff --git a/openmc/material.py b/openmc/material.py
index db67b709c..0afe5b670 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -17,7 +17,7 @@ import h5py
 import openmc
 import openmc.data
 import openmc.checkvalue as cv
-from ._xml import clean_indentation
+from ._xml import clean_indentation, get_elem_list, get_text
 from .mixin import IDManagerMixin
 from .utility_funcs import input_path
 from . import waste
@@ -1672,50 +1672,55 @@ class Material(IDManagerMixin):
             Material generated from XML element
 
         """
-        mat_id = int(elem.get('id'))
+        mat_id = int(get_text(elem, 'id'))
+
         # Add NCrystal material from cfg string
-        if "cfg" in elem.attrib:
-            cfg = elem.get("cfg")
+        cfg = get_text(elem, "cfg")
+        if cfg is not None:
             return Material.from_ncrystal(cfg, material_id=mat_id)
 
         mat = cls(mat_id)
-        mat.name = elem.get('name')
+        mat.name = get_text(elem, 'name')
 
-        if "temperature" in elem.attrib:
-            mat.temperature = float(elem.get("temperature"))
+        temperature = get_text(elem, "temperature")
+        if temperature is not None:
+            mat.temperature = float(temperature)
 
-        if 'volume' in elem.attrib:
-            mat.volume = float(elem.get('volume'))
+        volume = get_text(elem, "volume")
+        if volume is not None:
+            mat.volume = float(volume)
 
         # Get each nuclide
         for nuclide in elem.findall('nuclide'):
-            name = nuclide.attrib['name']
+            name = get_text(nuclide, "name")
             if 'ao' in nuclide.attrib:
                 mat.add_nuclide(name, float(nuclide.attrib['ao']))
             elif 'wo' in nuclide.attrib:
                 mat.add_nuclide(name, float(nuclide.attrib['wo']), 'wo')
 
         # Get depletable attribute
-        mat.depletable = elem.get('depletable') in ('true', '1')
+        depletable = get_text(elem, "depletable")
+        mat.depletable = depletable in ('true', '1')
 
         # Get each S(a,b) table
         for sab in elem.findall('sab'):
-            fraction = float(sab.get('fraction', 1.0))
-            mat.add_s_alpha_beta(sab.get('name'), fraction)
+            fraction = float(get_text(sab, "fraction", 1.0))
+            name = get_text(sab, "name")
+            mat.add_s_alpha_beta(name, fraction)
 
         # Get total material density
         density = elem.find('density')
-        units = density.get('units')
+        units = get_text(density, "units")
         if units == 'sum':
             mat.set_density(units)
         else:
-            value = float(density.get('value'))
+            value = float(get_text(density, 'value'))
             mat.set_density(units, value)
 
         # Check for isotropic scattering nuclides
-        isotropic = elem.find('isotropic')
+        isotropic = get_elem_list(elem, "isotropic", str)
         if isotropic is not None:
-            mat.isotropic = isotropic.text.split()
+            mat.isotropic = isotropic
 
         return mat
 
@@ -1982,9 +1987,9 @@ class Materials(cv.CheckedList):
             materials.append(Material.from_xml_element(material))
 
         # Check for cross sections settings
-        xs = elem.find('cross_sections')
+        xs = get_text(elem, "cross_sections")
         if xs is not None:
-            materials.cross_sections = xs.text
+            materials.cross_sections = xs
 
         return materials
 
diff --git a/openmc/mesh.py b/openmc/mesh.py
index 339702884..2e9abd1b6 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -16,7 +16,7 @@ import openmc
 import openmc.checkvalue as cv
 from openmc.checkvalue import PathLike
 from openmc.utility_funcs import change_directory
-from ._xml import get_text
+from ._xml import get_elem_list, get_text
 from .mixin import IDManagerMixin
 from .surface import _BOUNDARY_TYPES
 from .utility_funcs import input_path
@@ -1187,21 +1187,21 @@ class RegularMesh(StructuredMesh):
         mesh_id = int(get_text(elem, 'id'))
         mesh = cls(mesh_id=mesh_id)
 
-        dimension = get_text(elem, 'dimension')
+        dimension = get_elem_list(elem, "dimension", int)
         if dimension is not None:
-            mesh.dimension = [int(x) for x in dimension.split()]
+            mesh.dimension = dimension
 
-        lower_left = get_text(elem, 'lower_left')
+        lower_left = get_elem_list(elem, "lower_left", float)
         if lower_left is not None:
-            mesh.lower_left = [float(x) for x in lower_left.split()]
+            mesh.lower_left = lower_left
 
-        upper_right = get_text(elem, 'upper_right')
+        upper_right = get_elem_list(elem, "upper_right", float)
         if upper_right is not None:
-            mesh.upper_right = [float(x) for x in upper_right.split()]
+            mesh.upper_right = upper_right
 
-        width = get_text(elem, 'width')
+        width = get_elem_list(elem, "width", float)
         if width is not None:
-            mesh.width = [float(x) for x in width.split()]
+            mesh.width = width
 
         return mesh
 
@@ -1507,9 +1507,9 @@ class RectilinearMesh(StructuredMesh):
         """
         mesh_id = int(get_text(elem, 'id'))
         mesh = cls(mesh_id=mesh_id)
-        mesh.x_grid = [float(x) for x in get_text(elem, 'x_grid').split()]
-        mesh.y_grid = [float(y) for y in get_text(elem, 'y_grid').split()]
-        mesh.z_grid = [float(z) for z in get_text(elem, 'z_grid').split()]
+        mesh.x_grid = get_elem_list(elem, "x_grid", float)
+        mesh.y_grid = get_elem_list(elem, "y_grid", float)
+        mesh.z_grid = get_elem_list(elem, "z_grid", float)
 
         return mesh
 
@@ -1923,10 +1923,10 @@ class CylindricalMesh(StructuredMesh):
 
         mesh_id = int(get_text(elem, 'id'))
         mesh = cls(
-            r_grid = [float(x) for x in get_text(elem, "r_grid").split()],
-            phi_grid = [float(x) for x in get_text(elem, "phi_grid").split()],
-            z_grid = [float(x) for x in get_text(elem, "z_grid").split()],
-            origin = [float(x) for x in get_text(elem, "origin", default=[0., 0., 0.]).split()],
+            r_grid = get_elem_list(elem, "r_grid", float),
+            phi_grid = get_elem_list(elem, "phi_grid", float),
+            z_grid = get_elem_list(elem, "z_grid", float),
+            origin = get_elem_list(elem, "origin", float) or [0., 0., 0.],
             mesh_id=mesh_id,
         )
 
@@ -2296,10 +2296,10 @@ class SphericalMesh(StructuredMesh):
         mesh_id = int(get_text(elem, 'id'))
         mesh = cls(
             mesh_id=mesh_id,
-            r_grid = [float(x) for x in get_text(elem, "r_grid").split()],
-            theta_grid = [float(x) for x in get_text(elem, "theta_grid").split()],
-            phi_grid = [float(x) for x in get_text(elem, "phi_grid").split()],
-            origin = [float(x) for x in get_text(elem, "origin", default=[0., 0., 0.]).split()],
+            r_grid = get_elem_list(elem, "r_grid", float),
+            theta_grid = get_elem_list(elem, "theta_grid", float),
+            phi_grid = get_elem_list(elem, "phi_grid", float),
+            origin = get_elem_list(elem, "origin", float) or [0., 0., 0.],
         )
 
         return mesh
@@ -2842,7 +2842,7 @@ class UnstructuredMesh(MeshBase):
         filename = get_text(elem, 'filename')
         library = get_text(elem, 'library')
         length_multiplier = float(get_text(elem, 'length_multiplier', 1.0))
-        options = elem.get('options')
+        options = get_text(elem, "options")
 
         return cls(filename, library, mesh_id, '', length_multiplier, options)
 
diff --git a/openmc/plots.py b/openmc/plots.py
index 34dde84e4..072a9a319 100644
--- a/openmc/plots.py
+++ b/openmc/plots.py
@@ -10,7 +10,7 @@ import openmc
 import openmc.checkvalue as cv
 from openmc.checkvalue import PathLike
 
-from ._xml import clean_indentation, get_elem_tuple, get_text
+from ._xml import clean_indentation, get_elem_list, get_text
 from .mixin import IDManagerMixin
 
 _BASES = {'xy', 'xz', 'yz'}
@@ -944,64 +944,61 @@ class Plot(PlotBase):
             Plot object
 
         """
-        plot_id = int(elem.get("id"))
+        plot_id = int(get_text(elem, "id"))
         name = get_text(elem, 'name', '')
         plot = cls(plot_id, name)
         if "filename" in elem.keys():
-            plot.filename = elem.get("filename")
-        plot.color_by = elem.get("color_by")
-        plot.type = elem.get("type")
+            plot.filename = get_text(elem, "filename")
+        plot.color_by = get_text(elem, "color_by")
+        plot.type = get_text(elem, "type")
         if plot.type == 'slice':
-            plot.basis = elem.get("basis")
+            plot.basis = get_text(elem, "basis")
 
-        plot.origin = get_elem_tuple(elem, "origin", float)
-        plot.width = get_elem_tuple(elem, "width", float)
-        plot.pixels = get_elem_tuple(elem, "pixels")
-        plot._background = get_elem_tuple(elem, "background")
+        plot.origin = tuple(get_elem_list(elem, "origin", float))
+        plot.width = tuple(get_elem_list(elem, "width", float))
+        plot.pixels = tuple(get_elem_list(elem, "pixels"))
+        background = get_elem_list(elem, "background")
+        if background is not None:
+            plot._background = tuple(background)
 
         # Set plot colors
         colors = {}
         for color_elem in elem.findall("color"):
-            uid = int(color_elem.get("id"))
-            colors[uid] = tuple([int(x)
-                                for x in color_elem.get("rgb").split()])
+            uid = int(get_text(color_elem, "id"))
+            colors[uid] = tuple(get_elem_list(color_elem, "rgb", int))
         plot.colors = colors
 
         # Set masking information
         mask_elem = elem.find("mask")
         if mask_elem is not None:
-            plot.mask_components = [
-                int(x) for x in mask_elem.get("components").split()]
-            background = mask_elem.get("background")
+            plot.mask_components = get_elem_list(mask_elem, "components", int)
+            background = get_elem_list(mask_elem, "background", int)
             if background is not None:
-                plot.mask_background = tuple(
-                    [int(x) for x in background.split()])
+                plot.mask_background = tuple(background)
 
         # show overlaps
-        overlap_elem = elem.find("show_overlaps")
-        if overlap_elem is not None:
-            plot.show_overlaps = (overlap_elem.text in ('true', '1'))
-        overlap_color = get_elem_tuple(elem, "overlap_color")
+        overlap = get_text(elem, "show_overlaps")
+        if overlap is not None:
+            plot.show_overlaps = (overlap in ('true', '1'))
+        overlap_color = get_elem_list(elem, "overlap_color", int)
         if overlap_color is not None:
-            plot.overlap_color = overlap_color
+            plot.overlap_color = tuple(overlap_color)
 
         # Set universe level
-        level = elem.find("level")
+        level = get_text(elem, "level")
         if level is not None:
-            plot.level = int(level.text)
+            plot.level = int(level)
 
         # Set meshlines
         mesh_elem = elem.find("meshlines")
         if mesh_elem is not None:
-            meshlines = {'type': mesh_elem.get('meshtype')}
+            meshlines = {'type': get_text(mesh_elem, "meshtype")}
             if 'id' in mesh_elem.keys():
-                meshlines['id'] = int(mesh_elem.get('id'))
+                meshlines['id'] = int(get_text(mesh_elem, "id"))
             if 'linewidth' in mesh_elem.keys():
-                meshlines['linewidth'] = int(mesh_elem.get('linewidth'))
+                meshlines['linewidth'] = int(get_text(mesh_elem, "linewidth"))
             if 'color' in mesh_elem.keys():
-                meshlines['color'] = tuple(
-                    [int(x) for x in mesh_elem.get('color').split()]
-                )
+                meshlines['color'] = tuple(get_elem_list(mesh_elem, "color", int))
             plot.meshlines = meshlines
 
         return plot
@@ -1259,38 +1256,39 @@ class RayTracePlot(PlotBase):
         None
         """
 
-        if "filename" in elem.keys():
-            self.filename = elem.get("filename")
-        self.color_by = elem.get("color_by")
+        filename = get_text(elem, "filename")
+        if filename is not None:
+            self.filename = filename
+        self.color_by = get_text(elem, "color_by")
 
-        horizontal_fov = elem.find("horizontal_field_of_view")
+        horizontal_fov = get_text(elem, "horizontal_field_of_view")
         if horizontal_fov is not None:
-            self.horizontal_field_of_view = float(horizontal_fov.text)
+            self.horizontal_field_of_view = float(horizontal_fov)
 
-        if (tmp := elem.find("orthographic_width")) is not None:
-            self.orthographic_width = float(tmp)
+        orthographic_width = get_text(elem, "orthographic_width")
+        if orthographic_width is not None:
+            self.orthographic_width = float(orthographic_width)
 
-        self.pixels = get_elem_tuple(elem, "pixels")
-        self.camera_position = get_elem_tuple(elem, "camera_position", float)
-        self.look_at = get_elem_tuple(elem, "look_at", float)
+        self.pixels = tuple(get_elem_list(elem, "pixels", int))
+        self.camera_position = tuple(get_elem_list(elem, "camera_position", float))
+        self.look_at = tuple(get_elem_list(elem, "look_at", float))
 
-        if elem.find("background") is not None:
-            self.background = get_elem_tuple(elem, "background")
+        background = get_elem_list(elem, "background", int)
+        if background is not None:
+            self.background = tuple(background)
 
         # Set masking information
         if (mask_elem := elem.find("mask")) is not None:
-            mask_components = [int(x)
-                               for x in mask_elem.get("components").split()]
+            mask_components = get_elem_list(mask_elem, "components", int)
             # TODO: set mask components(needs geometry information)
-            background = mask_elem.get("background")
+            background = get_elem_list(mask_elem, "background", int)
             if background is not None:
-                self.mask_background = tuple(
-                    [int(x) for x in background.split()])
+                self.mask_background = tuple(background)
 
         # Set universe level
-        level = elem.find("level")
+        level = get_text(elem, "level")
         if level is not None:
-            self.level = int(level.text)
+            self.level = int(level)
 
 
 class WireframeRayTracePlot(RayTracePlot):
@@ -1515,7 +1513,7 @@ class WireframeRayTracePlot(RayTracePlot):
 
         """
 
-        plot_id = int(elem.get("id"))
+        plot_id = int(get_text(elem, "id"))
         plot_name = get_text(elem, 'name', '')
         plot = cls(plot_id, plot_name)
         plot.type = "wireframe_raytrace"
@@ -1523,19 +1521,18 @@ class WireframeRayTracePlot(RayTracePlot):
         plot._read_xml_attributes(elem)
 
         # Attempt to get wireframe thickness.May not be present
-        wireframe_thickness = elem.find("wireframe_thickness")
+        wireframe_thickness = get_text(elem, "wireframe_thickness")
         if wireframe_thickness is not None:
-            plot.wireframe_thickness = int(wireframe_thickness.text)
-        wireframe_color = elem.get("wireframe_color")
+            plot.wireframe_thickness = int(wireframe_thickness)
+        wireframe_color = get_elem_list(elem, "wireframe_color", int)
         if wireframe_color:
-            plot.wireframe_color = [int(item) for item in wireframe_color]
+            plot.wireframe_color = wireframe_color
 
         # Set plot colors
         for color_elem in elem.findall("color"):
-            uid = int(color_elem.get("id"))
-            plot.colors[uid] = tuple(int(i)
-                                     for i in get_text(color_elem, 'rgb').split())
-            plot.xs[uid] = float(color_elem.get("xs"))
+            uid = int(get_text(color_elem, "id"))
+            plot.colors[uid] = tuple(get_elem_list(color_elem, "rgb", int))
+            plot.xs[uid] = float(get_text(color_elem, "xs"))
 
         return plot
 
@@ -1693,15 +1690,17 @@ class SolidRayTracePlot(RayTracePlot):
 
     def _read_phong_attributes(self, elem):
         """Read attributes specific to the Phong plot from an XML element"""
-        if elem.find('light_position') is not None:
-            self.light_position = get_elem_tuple(elem, 'light_position', float)
+        light_position = get_elem_list(elem, 'light_position', float)
+        if light_position is not None:
+            self.light_position = tuple(light_position)
 
-        diffuse_fraction = elem.find('diffuse_fraction')
+        diffuse_fraction = get_text(elem, "diffuse_fraction")
         if diffuse_fraction is not None:
-            self.diffuse_fraction = float(diffuse_fraction.text)
+            self.diffuse_fraction = float(diffuse_fraction)
 
-        if elem.find('opaque_ids') is not None:
-            self.opaque_domains = list(get_elem_tuple(elem, 'opaque_ids', int))
+        opaque_domains = get_elem_list(elem, 'opaque_ids', int)
+        if opaque_domains is not None:
+            self.opaque_domains = opaque_domains
 
     @classmethod
     def from_xml_element(cls, elem):
@@ -1719,7 +1718,7 @@ class SolidRayTracePlot(RayTracePlot):
 
         """
 
-        plot_id = int(elem.get("id"))
+        plot_id = int(get_text(elem, "id"))
         plot_name = get_text(elem, 'name', '')
         plot = cls(plot_id, plot_name)
         plot.type = "solid_raytrace"
@@ -1729,8 +1728,8 @@ class SolidRayTracePlot(RayTracePlot):
 
         # Set plot colors
         for color_elem in elem.findall("color"):
-            uid = color_elem.get("id")
-            plot.colors[uid] = get_elem_tuple(color_elem, "rgb")
+            uid = get_text(color_elem, "id")
+            plot.colors[uid] = tuple(get_elem_list(color_elem, "rgb", int))
 
         return plot
 
@@ -1897,7 +1896,7 @@ class Plots(cv.CheckedList):
         # Generate each plot
         plots = cls()
         for e in elem.findall('plot'):
-            plot_type = e.get('type')
+            plot_type = get_text(e, "type")
             if plot_type == 'wireframe_raytrace':
                 plots.append(WireframeRayTracePlot.from_xml_element(e))
             elif plot_type == 'solid_raytrace':
diff --git a/openmc/settings.py b/openmc/settings.py
index 327faf544..ce3743ff5 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -11,7 +11,7 @@ import openmc
 import openmc.checkvalue as cv
 from openmc.checkvalue import PathLike
 from openmc.stats.multivariate import MeshSpatial
-from ._xml import clean_indentation, get_text
+from ._xml import clean_indentation, get_elem_list, get_text
 from .mesh import _read_meshes, RegularMesh, MeshBase
 from .source import SourceBase, MeshSource, IndependentSource
 from .utility_funcs import input_path
@@ -1791,23 +1791,21 @@ class Settings:
     def _statepoint_from_xml_element(self, root):
         elem = root.find('state_point')
         if elem is not None:
-            text = get_text(elem, 'batches')
-            if text is not None:
-                self.statepoint['batches'] = [int(x) for x in text.split()]
+            batches = get_elem_list(elem, "batches", int)
+            if batches is not None:
+                self.statepoint['batches'] = batches
 
     def _sourcepoint_from_xml_element(self, root):
         elem = root.find('source_point')
         if elem is not None:
             for key in ('separate', 'write', 'overwrite_latest', 'batches', 'mcpl'):
-                value = get_text(elem, key)
-                if value is not None:
-                    if key in ('separate', 'write', 'mcpl'):
-                        value = value in ('true', '1')
-                    elif key == 'overwrite_latest':
-                        value = value in ('true', '1')
+                if key in ('separate', 'write', 'mcpl', 'overwrite_latest'):
+                    value = get_text(elem, key) in ('true', '1')
+                    if key == 'overwrite_latest':
                         key = 'overwrite'
-                    else:
-                        value = [int(x) for x in value.split()]
+                else:
+                    value = get_elem_list(elem, key, int)
+                if value is not None:
                     self.sourcepoint[key] = value
 
     def _surf_source_read_from_xml_element(self, root):
@@ -1824,11 +1822,12 @@ class Settings:
         if elem is None:
             return
         for key in ('surface_ids', 'max_particles', 'max_source_files', 'mcpl', 'cell', 'cellto', 'cellfrom'):
-            value = get_text(elem, key)
+            if key == 'surface_ids':
+                value = get_elem_list(elem, key, int)
+            else:
+                value = get_text(elem, key)
             if value is not None:
-                if key == 'surface_ids':
-                    value = [int(x) for x in value.split()]
-                elif key == 'mcpl':
+                if key == 'mcpl':
                     value = value in ('true', '1')
                 elif key in ('max_particles', 'max_source_files', 'cell', 'cellfrom', 'cellto'):
                     value = int(value)
@@ -1958,22 +1957,21 @@ class Settings:
         text = get_text(root, 'temperature_method')
         if text is not None:
             self.temperature['method'] = text
-        text = get_text(root, 'temperature_range')
+        text = get_elem_list(root, "temperature_range", float)
         if text is not None:
-            self.temperature['range'] = [float(x) for x in text.split()]
+            self.temperature['range'] = text
         text = get_text(root, 'temperature_multipole')
         if text is not None:
             self.temperature['multipole'] = text in ('true', '1')
 
     def _trace_from_xml_element(self, root):
-        text = get_text(root, 'trace')
+        text = get_elem_list(root, "trace", int)
         if text is not None:
-            self.trace = [int(x) for x in text.split()]
+            self.trace = text
 
     def _track_from_xml_element(self, root):
-        text = get_text(root, 'track')
-        if text is not None:
-            values = [int(x) for x in text.split()]
+        values = get_elem_list(root, "track", int)
+        if values is not None:
             self.track = list(zip(values[::3], values[1::3], values[2::3]))
 
     def _ufs_mesh_from_xml_element(self, root, meshes):
@@ -1990,14 +1988,15 @@ class Settings:
         if elem is not None:
             keys = ('enable', 'method', 'energy_min', 'energy_max', 'nuclides')
             for key in keys:
-                value = get_text(elem, key)
+                if key == 'nuclides':
+                    value = get_elem_list(elem, key, str)
+                else:
+                    value = get_text(elem, key)
                 if value is not None:
                     if key == 'enable':
                         value = value in ('true', '1')
                     elif key in ('energy_min', 'energy_max'):
                         value = float(value)
-                    elif key == 'nuclides':
-                        value = value.split()
                     self.resonance_scattering[key] = value
 
     def _create_fission_neutrons_from_xml_element(self, root):
@@ -2109,8 +2108,8 @@ class Settings:
                         mesh = MeshBase.from_xml_element(mesh_elem)
                         domains = []
                         for domain_elem in mesh_elem.findall('domain'):
-                            domain_id = int(domain_elem.get('id'))
-                            domain_type = domain_elem.get('type')
+                            domain_id = int(get_text(domain_elem, "id"))
+                            domain_type = get_text(domain_elem, "type")
                             if domain_type == 'material':
                                 domain = openmc.Material(domain_id)
                             elif domain_type == 'cell':
diff --git a/openmc/source.py b/openmc/source.py
index 87e734e9a..c463ccb27 100644
--- a/openmc/source.py
+++ b/openmc/source.py
@@ -18,7 +18,7 @@ import openmc.checkvalue as cv
 from openmc.checkvalue import PathLike
 from openmc.stats.multivariate import UnitSphere, Spatial
 from openmc.stats.univariate import Univariate
-from ._xml import get_text
+from ._xml import get_elem_list, get_text
 from .mesh import MeshBase, StructuredMesh, UnstructuredMesh
 from .utility_funcs import input_path
 
@@ -210,7 +210,7 @@ class SourceBase(ABC):
         constraints = {}
         domain_type = get_text(elem, "domain_type")
         if domain_type is not None:
-            domain_ids = [int(x) for x in get_text(elem, "domain_ids").split()]
+            domain_ids = get_elem_list(elem, "domain_ids", int)
 
             # Instantiate some throw-away domains that are used by the
             # constructor to assign IDs
@@ -224,13 +224,13 @@ class SourceBase(ABC):
                     domains = [openmc.Universe(uid) for uid in domain_ids]
             constraints['domains'] = domains
 
-        time_bounds = get_text(elem, "time_bounds")
+        time_bounds = get_elem_list(elem, "time_bounds", float)
         if time_bounds is not None:
-            constraints['time_bounds'] = [float(x) for x in time_bounds.split()]
+            constraints['time_bounds'] = time_bounds
 
-        energy_bounds = get_text(elem, "energy_bounds")
+        energy_bounds = get_elem_list(elem, "energy_bounds", float)
         if energy_bounds is not None:
-            constraints['energy_bounds'] = [float(x) for x in energy_bounds.split()]
+            constraints['energy_bounds'] = energy_bounds
 
         fissionable = get_text(elem, "fissionable")
         if fissionable is not None:
diff --git a/openmc/stats/multivariate.py b/openmc/stats/multivariate.py
index cd474fa9b..222d2d18a 100644
--- a/openmc/stats/multivariate.py
+++ b/openmc/stats/multivariate.py
@@ -10,7 +10,7 @@ import numpy as np
 
 import openmc
 import openmc.checkvalue as cv
-from .._xml import get_text
+from .._xml import get_elem_list, get_text
 from ..mesh import MeshBase
 from .univariate import PowerLaw, Uniform, Univariate
 
@@ -152,9 +152,9 @@ class PolarAzimuthal(UnitSphere):
 
         """
         mu_phi = cls()
-        uvw = get_text(elem, 'reference_uvw')
+        uvw = get_elem_list(elem, "reference_uvw", float)
         if uvw is not None:
-            mu_phi.reference_uvw = [float(x) for x in uvw.split()]
+            mu_phi.reference_uvw = uvw
         mu_phi.mu = Univariate.from_xml_element(elem.find('mu'))
         mu_phi.phi = Univariate.from_xml_element(elem.find('phi'))
         return mu_phi
@@ -246,9 +246,9 @@ class Monodirectional(UnitSphere):
 
         """
         monodirectional = cls()
-        uvw = get_text(elem, 'reference_uvw')
+        uvw = get_elem_list(elem, "reference_uvw", float)
         if uvw is not None:
-            monodirectional.reference_uvw = [float(x) for x in uvw.split()]
+            monodirectional.reference_uvw = uvw
         return monodirectional
 
 
@@ -504,7 +504,7 @@ class SphericalIndependent(Spatial):
         r = Univariate.from_xml_element(elem.find('r'))
         cos_theta = Univariate.from_xml_element(elem.find('cos_theta'))
         phi = Univariate.from_xml_element(elem.find('phi'))
-        origin = [float(x) for x in elem.get('origin').split()]
+        origin = get_elem_list(elem, "origin", float)
         return cls(r, cos_theta, phi, origin=origin)
 
 
@@ -626,7 +626,7 @@ class CylindricalIndependent(Spatial):
         r = Univariate.from_xml_element(elem.find('r'))
         phi = Univariate.from_xml_element(elem.find('phi'))
         z = Univariate.from_xml_element(elem.find('z'))
-        origin = [float(x) for x in elem.get('origin').split()]
+        origin = get_elem_list(elem, "origin", float)
         return cls(r, phi, z, origin=origin)
 
 
@@ -743,18 +743,14 @@ class MeshSpatial(Spatial):
 
         """
 
-        mesh_id = int(elem.get('mesh_id'))
+        mesh_id = int(get_text(elem, "mesh_id"))
 
         # check if this mesh has been read in from another location already
         if mesh_id not in meshes:
             raise ValueError(f'Could not locate mesh with ID "{mesh_id}"')
 
-        volume_normalized = elem.get("volume_normalized")
         volume_normalized = get_text(elem, 'volume_normalized').lower() == 'true'
-        strengths = get_text(elem, 'strengths')
-        if strengths is not None:
-            strengths = [float(b) for b in get_text(elem, 'strengths').split()]
-
+        strengths = get_elem_list(elem, 'strengths', float)
         return cls(meshes[mesh_id], strengths, volume_normalized)
 
 
@@ -860,12 +856,10 @@ class PointCloud(Spatial):
 
 
         """
-        coord_data = get_text(elem, 'coords')
-        positions = np.array([float(b) for b in coord_data.split()]).reshape((-1, 3))
+        coord_data = get_elem_list(elem, 'coords', float)
+        positions = np.array(coord_data).reshape((-1, 3))
 
-        strengths = get_text(elem, 'strengths')
-        if strengths is not None:
-            strengths = [float(b) for b in strengths.split()]
+        strengths = get_elem_list(elem, 'strengths', float)
 
         return cls(positions, strengths)
 
@@ -979,7 +973,7 @@ class Box(Spatial):
 
         """
         only_fissionable = get_text(elem, 'type') == 'fission'
-        params = [float(x) for x in get_text(elem, 'parameters').split()]
+        params = get_elem_list(elem, "parameters", float)
         lower_left = params[:len(params)//2]
         upper_right = params[len(params)//2:]
         return cls(lower_left, upper_right, only_fissionable)
@@ -1046,7 +1040,7 @@ class Point(Spatial):
             Point distribution generated from XML element
 
         """
-        xyz = [float(x) for x in get_text(elem, 'parameters').split()]
+        xyz = get_elem_list(elem, "parameters", float)
         return cls(xyz)
 
 
diff --git a/openmc/stats/univariate.py b/openmc/stats/univariate.py
index e0475bf78..28d5e87ef 100644
--- a/openmc/stats/univariate.py
+++ b/openmc/stats/univariate.py
@@ -12,7 +12,7 @@ import numpy as np
 from scipy.integrate import trapezoid
 
 import openmc.checkvalue as cv
-from .._xml import get_text
+from .._xml import get_elem_list, get_text
 from ..mixin import EqualityMixin
 
 _INTERPOLATION_SCHEMES = {
@@ -57,8 +57,7 @@ class Univariate(EqualityMixin, ABC):
             return Normal.from_xml_element(elem)
         elif distribution == 'muir':
             # Support older files where Muir had its own class
-            params = [float(x) for x in get_text(elem, 'parameters').split()]
-            return muir(*params)
+            return muir(*get_elem_list(elem, "parameters", float))
         elif distribution == 'tabular':
             return Tabular.from_xml_element(elem)
         elif distribution == 'legendre':
@@ -240,7 +239,7 @@ class Discrete(Univariate):
             Discrete distribution generated from XML element
 
         """
-        params = [float(x) for x in get_text(elem, 'parameters').split()]
+        params = get_elem_list(elem, "parameters", float)
         x = params[:len(params)//2]
         p = params[len(params)//2:]
         return cls(x, p)
@@ -448,8 +447,8 @@ class Uniform(Univariate):
             Uniform distribution generated from XML element
 
         """
-        params = get_text(elem, 'parameters').split()
-        return cls(*map(float, params))
+        params = get_elem_list(elem, "parameters", float)
+        return cls(*params)
 
 
 class PowerLaw(Univariate):
@@ -557,8 +556,8 @@ class PowerLaw(Univariate):
             Distribution generated from XML element
 
         """
-        params = get_text(elem, 'parameters').split()
-        return cls(*map(float, params))
+        params = get_elem_list(elem, "parameters", float)
+        return cls(*params)
 
 
 class Maxwell(Univariate):
@@ -737,8 +736,8 @@ class Watt(Univariate):
             Watt distribution generated from XML element
 
         """
-        params = get_text(elem, 'parameters').split()
-        return cls(*map(float, params))
+        params = get_elem_list(elem, "parameters", float)
+        return cls(*params)
 
 
 class Normal(Univariate):
@@ -827,8 +826,8 @@ class Normal(Univariate):
             Normal distribution generated from XML element
 
         """
-        params = get_text(elem, 'parameters').split()
-        return cls(*map(float, params))
+        params = get_elem_list(elem, "parameters", float)
+        return cls(*params)
 
 
 def muir(e0: float, m_rat: float, kt: float):
@@ -1115,7 +1114,7 @@ class Tabular(Univariate):
 
         """
         interpolation = get_text(elem, 'interpolation')
-        params = [float(x) for x in get_text(elem, 'parameters').split()]
+        params = get_elem_list(elem, "parameters", float)        
         m = (len(params) + 1)//2  # +1 for when len(params) is odd
         x = params[:m]
         p = params[m:]
diff --git a/openmc/surface.py b/openmc/surface.py
index 840c3125d..4839783ff 100644
--- a/openmc/surface.py
+++ b/openmc/surface.py
@@ -13,6 +13,7 @@ from .checkvalue import check_type, check_value, check_length, check_greater_tha
 from .mixin import IDManagerMixin, IDWarning
 from .region import Region, Intersection, Union
 from .bounding_box import BoundingBox
+from ._xml import get_elem_list, get_text
 
 
 _BOUNDARY_TYPES = {'transmission', 'vacuum', 'reflective', 'periodic', 'white'}
@@ -451,17 +452,17 @@ class Surface(IDManagerMixin, ABC):
         """
 
         # Determine appropriate class
-        surf_type = elem.get('type')
+        surf_type = get_text(elem, "type")
         cls = _SURFACE_CLASSES[surf_type]
 
         # Determine ID, boundary type, boundary albedo, coefficients
         kwargs = {}
-        kwargs['surface_id'] = int(elem.get('id'))
-        kwargs['boundary_type'] = elem.get('boundary', 'transmission')
+        kwargs['surface_id'] = int(get_text(elem, "id"))
+        kwargs['boundary_type'] = get_text(elem, "boundary", "transmission")
         if kwargs['boundary_type'] in _ALBEDO_BOUNDARIES:
-            kwargs['albedo'] = float(elem.get('albedo', 1.0))
-        kwargs['name'] = elem.get('name')
-        coeffs = [float(x) for x in elem.get('coeffs').split()]
+            kwargs['albedo'] = float(get_text(elem, "albedo", 1.0))
+        kwargs['name'] = get_text(elem, "name")
+        coeffs = get_elem_list(elem, "coeffs", float)
         kwargs.update(dict(zip(cls._coeff_keys, coeffs)))
 
         return cls(**kwargs)
diff --git a/openmc/tallies.py b/openmc/tallies.py
index 3a5b42519..075b1e991 100644
--- a/openmc/tallies.py
+++ b/openmc/tallies.py
@@ -15,7 +15,7 @@ import scipy.sparse as sps
 
 import openmc
 import openmc.checkvalue as cv
-from ._xml import clean_indentation, get_text
+from ._xml import clean_indentation, get_elem_list, get_text
 from .mixin import IDManagerMixin
 from .mesh import MeshBase
 
@@ -1006,8 +1006,8 @@ class Tally(IDManagerMixin):
             Tally object
 
         """
-        tally_id = int(elem.get('id'))
-        name = elem.get('name', '')
+        tally_id = int(get_text(elem, "id"))
+        name = get_text(elem, "name", "")
         tally = cls(tally_id=tally_id, name=name)
 
         text = get_text(elem, 'multiply_density')
@@ -1015,25 +1015,24 @@ class Tally(IDManagerMixin):
             tally.multiply_density = text in ('true', '1')
 
         # Read filters
-        filters_elem = elem.find('filters')
-        if filters_elem is not None:
-            filter_ids = [int(x) for x in filters_elem.text.split()]
+        filter_ids = get_elem_list(elem, "filters", int)
+        if filter_ids is not None:
             tally.filters = [kwargs['filters'][uid] for uid in filter_ids]
 
         # Read nuclides
-        nuclides_elem = elem.find('nuclides')
-        if nuclides_elem is not None:
-            tally.nuclides = nuclides_elem.text.split()
+        nuclides = get_elem_list(elem, "nuclides", str)
+        if nuclides is not None:
+            tally.nuclides = nuclides
 
         # Read scores
-        scores_elem = elem.find('scores')
-        if scores_elem is not None:
-            tally.scores = scores_elem.text.split()
+        scores = get_elem_list(elem, "scores", str)
+        if scores is not None:
+            tally.scores = scores
 
         # Set estimator
-        estimator_elem = elem.find('estimator')
-        if estimator_elem is not None:
-            tally.estimator = estimator_elem.text
+        estimator = get_text(elem, "estimator")
+        if estimator is not None:
+            tally.estimator = estimator
 
         # Read triggers
         tally.triggers = [
@@ -1042,9 +1041,9 @@ class Tally(IDManagerMixin):
         ]
 
         # Read tally derivative
-        deriv_elem = elem.find('derivative')
-        if deriv_elem is not None:
-            deriv_id = int(deriv_elem.text)
+        deriv = get_text(elem, "derivative")
+        if deriv is not None:
+            deriv_id = int(deriv)
             tally.derivative = kwargs['derivatives'][deriv_id]
 
         return tally
diff --git a/openmc/tally_derivative.py b/openmc/tally_derivative.py
index ff918c1b3..f7ba5dce5 100644
--- a/openmc/tally_derivative.py
+++ b/openmc/tally_derivative.py
@@ -4,6 +4,7 @@ import lxml.etree as ET
 
 import openmc.checkvalue as cv
 from .mixin import EqualityMixin, IDManagerMixin
+from ._xml import get_text
 
 
 class TallyDerivative(EqualityMixin, IDManagerMixin):
@@ -122,8 +123,8 @@ class TallyDerivative(EqualityMixin, IDManagerMixin):
             Tally derivative object
 
         """
-        derivative_id = int(elem.get("id"))
-        variable = elem.get("variable")
-        material = int(elem.get("material"))
-        nuclide = elem.get("nuclide") if variable == "nuclide_density" else None
+        derivative_id = int(get_text(elem, "id"))
+        variable = get_text(elem, "variable")
+        material = int(get_text(elem, "material"))
+        nuclide = get_text(elem, "nuclide") if variable == "nuclide_density" else None
         return cls(derivative_id, variable, material, nuclide)
diff --git a/openmc/trigger.py b/openmc/trigger.py
index be2537e3a..70b6b7a03 100644
--- a/openmc/trigger.py
+++ b/openmc/trigger.py
@@ -5,6 +5,7 @@ import lxml.etree as ET
 
 import openmc.checkvalue as cv
 from .mixin import EqualityMixin
+from ._xml import get_elem_list, get_text
 
 
 class Trigger(EqualityMixin):
@@ -129,16 +130,16 @@ class Trigger(EqualityMixin):
 
         """
         # Generate trigger object
-        trigger_type = elem.get("type")
-        threshold = float(elem.get("threshold"))
-        ignore_zeros = str(elem.get("ignore_zeros", "false")).lower()
+        trigger_type = get_text(elem, "type")
+        threshold = float(get_text(elem, "threshold"))
+        ignore_zeros = str(get_text(elem, "ignore_zeros", "false")).lower()
         # Try to convert to bool. Let Trigger error out on instantiation.
         ignore_zeros = ignore_zeros in ('true', '1')
         trigger = cls(trigger_type, threshold, ignore_zeros)
 
         # Add scores if present
-        scores = elem.get("scores")
+        scores = get_elem_list(elem, "scores", str)
         if scores is not None:
-            trigger.scores = scores.split()
+            trigger.scores = scores
 
         return trigger
diff --git a/openmc/volume.py b/openmc/volume.py
index df19def1e..c44adf98a 100644
--- a/openmc/volume.py
+++ b/openmc/volume.py
@@ -10,7 +10,7 @@ from uncertainties import ufloat
 
 import openmc
 import openmc.checkvalue as cv
-from openmc._xml import get_text
+from openmc._xml import get_elem_list, get_text
 
 _VERSION_VOLUME = 1
 
@@ -375,13 +375,10 @@ class VolumeCalculation:
 
         """
         domain_type = get_text(elem, "domain_type")
-        domain_ids = get_text(elem, "domain_ids").split()
-        ids = [int(x) for x in domain_ids]
+        ids = get_elem_list(elem, "domain_ids", int)
         samples = int(get_text(elem, "samples"))
-        lower_left = get_text(elem, "lower_left").split()
-        lower_left = tuple([float(x) for x in lower_left])
-        upper_right = get_text(elem, "upper_right").split()
-        upper_right = tuple([float(x) for x in upper_right])
+        lower_left = tuple(get_elem_list(elem, "lower_left", float))
+        upper_right = tuple(get_elem_list(elem, "upper_right", float))
 
         # Instantiate some throw-away domains that are used by the constructor
         # to assign IDs
diff --git a/openmc/weight_windows.py b/openmc/weight_windows.py
index 90856ebab..5d52a579a 100644
--- a/openmc/weight_windows.py
+++ b/openmc/weight_windows.py
@@ -14,7 +14,7 @@ from openmc.filter import _PARTICLES
 from openmc.mesh import MeshBase, RectilinearMesh, CylindricalMesh, SphericalMesh, UnstructuredMesh
 import openmc.checkvalue as cv
 from openmc.checkvalue import PathLike
-from ._xml import get_text, clean_indentation
+from ._xml import get_elem_list, get_text, clean_indentation
 from .mixin import IDManagerMixin
 from .utility_funcs import change_directory
 
@@ -379,9 +379,9 @@ class WeightWindows(IDManagerMixin):
         mesh = meshes[mesh_id]
 
         # Read all other parameters
-        lower_ww_bounds = [float(l) for l in get_text(elem, 'lower_ww_bounds').split()]
-        upper_ww_bounds = [float(u) for u in get_text(elem, 'upper_ww_bounds').split()]
-        e_bounds = [float(b) for b in get_text(elem, 'energy_bounds').split()]
+        lower_ww_bounds = get_elem_list(elem, "lower_ww_bounds", float)
+        upper_ww_bounds = get_elem_list(elem, "upper_ww_bounds", float)
+        e_bounds = get_elem_list(elem, "energy_bounds", float)
         particle_type = get_text(elem, 'particle_type')
         survival_ratio = float(get_text(elem, 'survival_ratio'))
 
@@ -730,11 +730,8 @@ class WeightWindowGenerator:
 
         mesh_id = int(get_text(elem, 'mesh'))
         mesh = meshes[mesh_id]
-
-        if (energy_bounds := get_text(elem, 'energy_bounds')) is not None:
-            energy_bounds = [float(x) for x in energy_bounds.split()]
-        else:
-            energy_bounds = None
+        
+        energy_bounds = get_elem_list(elem, "energy_bounds, float")
         particle_type = get_text(elem, 'particle_type')
 
         wwg = cls(mesh, energy_bounds, particle_type)

From a34365396e8bd66698f5481474ebf17a5ed30d14 Mon Sep 17 00:00:00 2001
From: GuySten <62616591+GuySten@users.noreply.github.com>
Date: Mon, 11 Aug 2025 18:51:45 +0300
Subject: [PATCH 2371/2654] Remove unused special accessors for tallies (#3527)

---
 include/openmc/tallies/tally.h | 2 --
 src/tallies/tally.cpp          | 4 ----
 2 files changed, 6 deletions(-)

diff --git a/include/openmc/tallies/tally.h b/include/openmc/tallies/tally.h
index 48f678ced..8c088c460 100644
--- a/include/openmc/tallies/tally.h
+++ b/include/openmc/tallies/tally.h
@@ -169,10 +169,8 @@ public:
   // We need to have quick access to some filters.  The following gives indices
   // for various filters that could be in the tally or C_NONE if they are not
   // present.
-  int energy_filter_ {C_NONE};
   int energyout_filter_ {C_NONE};
   int delayedgroup_filter_ {C_NONE};
-  int cell_filter_ {C_NONE};
 
   vector<Trigger> triggers_;
 
diff --git a/src/tallies/tally.cpp b/src/tallies/tally.cpp
index e737f79d3..ba1838602 100644
--- a/src/tallies/tally.cpp
+++ b/src/tallies/tally.cpp
@@ -487,10 +487,6 @@ void Tally::add_filter(Filter* filter)
     energyout_filter_ = filters_.size();
   } else if (filter->type() == FilterType::DELAYED_GROUP) {
     delayedgroup_filter_ = filters_.size();
-  } else if (filter->type() == FilterType::CELL) {
-    cell_filter_ = filters_.size();
-  } else if (filter->type() == FilterType::ENERGY) {
-    energy_filter_ = filters_.size();
   }
   filters_.push_back(filter_idx);
 }

From f8fa751da0437ddf42a1f4873e5162a6fcb1c51e Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Wed, 13 Aug 2025 15:41:39 +0200
Subject: [PATCH 2372/2654] Adding 616 group structure (#3531)

---
 openmc/mgxs/__init__.py | 94 ++++++++++++++++++++++++++++++++++++++++-
 src/particle.cpp        |  2 +-
 2 files changed, 94 insertions(+), 2 deletions(-)

diff --git a/openmc/mgxs/__init__.py b/openmc/mgxs/__init__.py
index 901c1eabb..f8de84b37 100644
--- a/openmc/mgxs/__init__.py
+++ b/openmc/mgxs/__init__.py
@@ -21,7 +21,7 @@ GROUP_STRUCTURES = {}
 - "ECCO-1968_" designed for fine group reactor cell calculations for fast,
   intermediate and thermal reactor applications ([SAR1990]_)
 - activation_ energy group structures "VITAMIN-J-42", "VITAMIN-J-175",
-  "TRIPOLI-315", "CCFE-709_" and "UKAEA-1102_"
+  "TRIPOLI-315", "LLNL-616", "CCFE-709_" and "UKAEA-1102_"
 
 .. _CASMO: http://large.stanford.edu/courses/2013/ph241/dalvi1/docs/c5.physor2006.pdf
 .. _SCALE44: https://www-nds.iaea.org/publications/indc/indc-czr-0001.pdf
@@ -31,6 +31,7 @@ GROUP_STRUCTURES = {}
 .. _SHEM-361: http://merlin.polymtl.ca/downloads/FP214.pdf
 .. _activation: https://fispact.ukaea.uk/wiki/Keyword:GETXS
 .. _VITAMIN-J-42: https://www.oecd-nea.org/dbdata/nds_jefreports/jefreport-10.pdf
+.. _LLNL-616: https://fispact.ukaea.uk/manual/user_manual.pdf
 .. _CCFE-709: https://fispact.ukaea.uk/wiki/CCFE-709_group_structure
 .. _UKAEA-1102: https://fispact.ukaea.uk/wiki/UKAEA-1102_group_structure
 .. _ECCO-1968: https://serpent.vtt.fi/mediawiki/index.php/ECCO_1968-group_structure
@@ -346,6 +347,97 @@ GROUP_STRUCTURES['SHEM-361'] = np.array([
     4.06569e+06, 4.96585e+06, 6.06530e+06, 6.70319e+06, 7.40817e+06,
     8.18730e+06, 9.04836e+06, 9.99999e+06, 1.16183e+07, 1.38403e+07,
     1.49182e+07, 1.96403e+07])
+GROUP_STRUCTURES['LLNL-616'] = np.array([
+    1.0000e-5, 1.0471e-5, 1.0965e-5, 1.1482e-5, 1.2023e-5, 1.2589e-5, 1.3183e-5,
+    1.3804e-5, 1.4454e-5, 1.5136e-5, 1.5849e-5, 1.6596e-5, 1.7378e-5, 1.8197e-5,
+    1.9055e-5, 1.9953e-5, 2.0893e-5, 2.1878e-5, 2.2909e-5, 2.3988e-5, 2.5119e-5,
+    2.6303e-5, 2.7542e-5, 2.8840e-5, 3.0200e-5, 3.1623e-5, 3.3113e-5, 3.4674e-5,
+    3.6308e-5, 3.8019e-5, 3.9811e-5, 4.1687e-5, 4.3652e-5, 4.5709e-5, 4.7863e-5,
+    5.0119e-5, 5.2481e-5, 5.4954e-5, 5.7544e-5, 6.0256e-5, 6.3096e-5, 6.6069e-5,
+    6.9183e-5, 7.2444e-5, 7.5858e-5, 7.9433e-5, 8.3176e-5, 8.7096e-5, 9.1201e-5,
+    9.5499e-5, 1.0000e-4, 1.0471e-4, 1.0965e-4, 1.1482e-4, 1.2023e-4, 1.2589e-4,
+    1.3183e-4, 1.3804e-4, 1.4454e-4, 1.5136e-4, 1.5849e-4, 1.6596e-4, 1.7378e-4,
+    1.8197e-4, 1.9055e-4, 1.9953e-4, 2.0893e-4, 2.1878e-4, 2.2909e-4, 2.3988e-4,
+    2.5119e-4, 2.6303e-4, 2.7542e-4, 2.8840e-4, 3.0200e-4, 3.1623e-4, 3.3113e-4,
+    3.4674e-4, 3.6308e-4, 3.8019e-4, 3.9811e-4, 4.1687e-4, 4.3652e-4, 4.5709e-4,
+    4.7863e-4, 5.0119e-4, 5.2481e-4, 5.4954e-4, 5.7544e-4, 6.0256e-4, 6.3096e-4,
+    6.6069e-4, 6.9183e-4, 7.2444e-4, 7.5858e-4, 7.9433e-4, 8.3176e-4, 8.7096e-4,
+    9.1201e-4, 9.5499e-4, 1.0000e-3, 1.0471e-3, 1.0965e-3, 1.1482e-3, 1.2023e-3,
+    1.2589e-3, 1.3183e-3, 1.3804e-3, 1.4454e-3, 1.5136e-3, 1.5849e-3, 1.6596e-3,
+    1.7378e-3, 1.8197e-3, 1.9055e-3, 1.9953e-3, 2.0893e-3, 2.1878e-3, 2.2909e-3,
+    2.3988e-3, 2.5119e-3, 2.6303e-3, 2.7542e-3, 2.8840e-3, 3.0200e-3, 3.1623e-3,
+    3.3113e-3, 3.4674e-3, 3.6308e-3, 3.8019e-3, 3.9811e-3, 4.1687e-3, 4.3652e-3,
+    4.5709e-3, 4.7863e-3, 5.0119e-3, 5.2481e-3, 5.4954e-3, 5.7544e-3, 6.0256e-3,
+    6.3096e-3, 6.6069e-3, 6.9183e-3, 7.2444e-3, 7.5858e-3, 7.9433e-3, 8.3176e-3,
+    8.7096e-3, 9.1201e-3, 9.5499e-3, 1.0000e-2, 1.0471e-2, 1.0965e-2, 1.1482e-2,
+    1.2023e-2, 1.2589e-2, 1.3183e-2, 1.3804e-2, 1.4454e-2, 1.5136e-2, 1.5849e-2,
+    1.6596e-2, 1.7378e-2, 1.8197e-2, 1.9055e-2, 1.9953e-2, 2.0893e-2, 2.1878e-2,
+    2.2909e-2, 2.3988e-2, 2.5119e-2, 2.6303e-2, 2.7542e-2, 2.8840e-2, 3.0200e-2,
+    3.1623e-2, 3.3113e-2, 3.4674e-2, 3.6308e-2, 3.8019e-2, 3.9811e-2, 4.1687e-2,
+    4.3652e-2, 4.5709e-2, 4.7863e-2, 5.0119e-2, 5.2481e-2, 5.4954e-2, 5.7544e-2,
+    6.0256e-2, 6.3096e-2, 6.6069e-2, 6.9183e-2, 7.2444e-2, 7.5858e-2, 7.9433e-2,
+    8.3176e-2, 8.7096e-2, 9.1201e-2, 9.5499e-2, 1.0000e-1, 1.0471e-1, 1.0965e-1,
+    1.1482e-1, 1.2023e-1, 1.2589e-1, 1.3183e-1, 1.3804e-1, 1.4454e-1, 1.5136e-1,
+    1.5849e-1, 1.6596e-1, 1.7378e-1, 1.8197e-1, 1.9055e-1, 1.9953e-1, 2.0893e-1,
+    2.1878e-1, 2.2909e-1, 2.3988e-1, 2.5119e-1, 2.6303e-1, 2.7542e-1, 2.8840e-1,
+    3.0200e-1, 3.1623e-1, 3.3113e-1, 3.4674e-1, 3.6308e-1, 3.8019e-1, 3.9811e-1,
+    4.1687e-1, 4.3652e-1, 4.5709e-1, 4.7863e-1, 5.0119e-1, 5.2481e-1, 5.4954e-1,
+    5.7544e-1, 6.0256e-1, 6.3096e-1, 6.6069e-1, 6.9183e-1, 7.2444e-1, 7.5858e-1,
+    7.9433e-1, 8.3176e-1, 8.7096e-1, 9.1201e-1, 9.5499e-1, 1.0000e0, 1.0471e0,
+    1.0965e0, 1.1482e0, 1.2023e0, 1.2589e0, 1.3183e0, 1.3804e0, 1.4454e0,
+    1.5136e0, 1.5849e0, 1.6596e0, 1.7378e0, 1.8197e0, 1.9055e0, 1.9953e0,
+    2.0893e0, 2.1878e0, 2.2909e0, 2.3988e0, 2.5119e0, 2.6303e0, 2.7542e0,
+    2.8840e0, 3.0200e0, 3.1623e0, 3.3113e0, 3.4674e0, 3.6308e0, 3.8019e0,
+    3.9811e0, 4.1687e0, 4.3652e0, 4.5709e0, 4.7863e0, 5.0119e0, 5.2481e0,
+    5.4954e0, 5.7544e0, 6.0256e0, 6.3096e0, 6.6069e0, 6.9183e0, 7.2444e0,
+    7.5858e0, 7.9433e0, 8.3176e0, 8.7096e0, 9.1201e0, 9.5499e0, 1.0000e1,
+    1.0471e1, 1.0965e1, 1.1482e1, 1.2023e1, 1.2589e1, 1.3183e1, 1.3804e1,
+    1.4454e1, 1.5136e1, 1.5849e1, 1.6596e1, 1.7378e1, 1.8197e1, 1.9055e1,
+    1.9953e1, 2.0893e1, 2.1878e1, 2.2909e1, 2.3988e1, 2.5119e1, 2.6303e1,
+    2.7542e1, 2.8840e1, 3.0200e1, 3.1623e1, 3.3113e1, 3.4674e1, 3.6308e1,
+    3.8019e1, 3.9811e1, 4.1687e1, 4.3652e1, 4.5709e1, 4.7863e1, 5.0119e1,
+    5.2481e1, 5.4954e1, 5.7544e1, 6.0256e1, 6.3096e1, 6.6069e1, 6.9183e1,
+    7.2444e1, 7.5858e1, 7.9433e1, 8.3176e1, 8.7096e1, 9.1201e1, 9.5499e1,
+    1.0000e2, 1.0471e2, 1.0965e2, 1.1482e2, 1.2023e2, 1.2589e2, 1.3183e2,
+    1.3804e2, 1.4454e2, 1.5136e2, 1.5849e2, 1.6596e2, 1.7378e2, 1.8197e2,
+    1.9055e2, 1.9953e2, 2.0893e2, 2.1878e2, 2.2909e2, 2.3988e2, 2.5119e2,
+    2.6303e2, 2.7542e2, 2.8840e2, 3.0200e2, 3.1623e2, 3.3113e2, 3.4674e2,
+    3.6308e2, 3.8019e2, 3.9811e2, 4.1687e2, 4.3652e2, 4.5709e2, 4.7863e2,
+    5.0119e2, 5.2481e2, 5.4954e2, 5.7544e2, 6.0256e2, 6.3096e2, 6.6069e2,
+    6.9183e2, 7.2444e2, 7.5858e2, 7.9433e2, 8.3176e2, 8.7096e2, 9.1201e2,
+    9.5499e2, 1.0000e3, 1.0471e3, 1.0965e3, 1.1482e3, 1.2023e3, 1.2589e3,
+    1.3183e3, 1.3804e3, 1.4454e3, 1.5136e3, 1.5849e3, 1.6596e3, 1.7378e3,
+    1.8197e3, 1.9055e3, 1.9953e3, 2.0893e3, 2.1878e3, 2.2909e3, 2.3988e3,
+    2.5119e3, 2.6303e3, 2.7542e3, 2.8840e3, 3.0200e3, 3.1623e3, 3.3113e3,
+    3.4674e3, 3.6308e3, 3.8019e3, 3.9811e3, 4.1687e3, 4.3652e3, 4.5709e3,
+    4.7863e3, 5.0119e3, 5.2481e3, 5.4954e3, 5.7544e3, 6.0256e3, 6.3096e3,
+    6.6069e3, 6.9183e3, 7.2444e3, 7.5858e3, 7.9433e3, 8.3176e3, 8.7096e3,
+    9.1201e3, 9.5499e3, 1.0000e4, 1.0471e4, 1.0965e4, 1.1482e4, 1.2023e4,
+    1.2589e4, 1.3183e4, 1.3804e4, 1.4454e4, 1.5136e4, 1.5849e4, 1.6596e4,
+    1.7378e4, 1.8197e4, 1.9055e4, 1.9953e4, 2.0893e4, 2.1878e4, 2.2909e4,
+    2.3988e4, 2.5119e4, 2.6303e4, 2.7542e4, 2.8840e4, 3.0200e4, 3.1623e4,
+    3.3113e4, 3.4674e4, 3.6308e4, 3.8019e4, 3.9811e4, 4.1687e4, 4.3652e4,
+    4.5709e4, 4.7863e4, 5.0119e4, 5.2481e4, 5.4954e4, 5.7544e4, 6.0256e4,
+    6.3096e4, 6.6069e4, 6.9183e4, 7.2444e4, 7.5858e4, 7.9433e4, 8.3176e4,
+    8.7096e4, 9.1201e4, 9.5499e4, 1.0000e5, 1.0471e5, 1.0965e5, 1.1482e5,
+    1.2023e5, 1.2589e5, 1.3183e5, 1.3804e5, 1.4454e5, 1.5136e5, 1.5849e5,
+    1.6596e5, 1.7378e5, 1.8197e5, 1.9055e5, 1.9953e5, 2.0893e5, 2.1878e5,
+    2.2909e5, 2.3988e5, 2.5119e5, 2.6303e5, 2.7542e5, 2.8840e5, 3.0200e5,
+    3.1623e5, 3.3113e5, 3.4674e5, 3.6308e5, 3.8019e5, 3.9811e5, 4.1687e5,
+    4.3652e5, 4.5709e5, 4.7863e5, 5.0119e5, 5.2481e5, 5.4954e5, 5.7544e5,
+    6.0256e5, 6.3096e5, 6.6069e5, 6.9183e5, 7.2444e5, 7.5858e5, 7.9433e5,
+    8.3176e5, 8.7096e5, 9.1201e5, 9.5499e5, 1.0000e6, 1.0471e6, 1.0965e6,
+    1.1482e6, 1.2023e6, 1.2589e6, 1.3183e6, 1.3804e6, 1.4454e6, 1.5136e6,
+    1.5849e6, 1.6596e6, 1.7378e6, 1.8197e6, 1.9055e6, 1.9953e6, 2.0893e6,
+    2.1878e6, 2.2909e6, 2.3988e6, 2.5119e6, 2.6303e6, 2.7542e6, 2.8840e6,
+    3.0200e6, 3.1623e6, 3.3113e6, 3.4674e6, 3.6308e6, 3.8019e6, 3.9811e6,
+    4.1687e6, 4.3652e6, 4.5709e6, 4.7863e6, 5.0119e6, 5.2481e6, 5.4954e6,
+    5.7544e6, 6.0256e6, 6.3096e6, 6.6069e6, 6.9183e6, 7.2444e6, 7.5858e6,
+    7.9433e6, 8.3176e6, 8.7096e6, 9.1201e6, 9.5499e6, 1.0000e7, 1.0471e7,
+    1.0965e7, 1.1482e7, 1.2023e7, 1.2589e7, 1.3183e7, 1.3804e7, 1.4454e7,
+    1.5136e7, 1.5849e7, 1.6596e7, 1.7378e7, 1.8197e7, 1.9055e7, 1.9953e7,
+    2.0000e7
+])
 GROUP_STRUCTURES['CCFE-709'] = np.array([
     1.e-5, 1.0471e-5, 1.0965e-5, 1.1482e-5, 1.2023e-5,
     1.2589e-5, 1.3183e-5, 1.3804e-5, 1.4454e-5, 1.5136e-5,
diff --git a/src/particle.cpp b/src/particle.cpp
index 118b084b0..7a003feb9 100644
--- a/src/particle.cpp
+++ b/src/particle.cpp
@@ -105,7 +105,7 @@ void Particle::split(double wgt)
   bank.E = settings::run_CE ? E() : g();
   bank.time = time();
 
-  // Convert signed index to a singed surface ID
+  // Convert signed index to a signed surface ID
   if (surface() == SURFACE_NONE) {
     bank.surf_id = SURFACE_NONE;
   } else {

From 14d51e0ebaa4de3f122ec85478002d559245fabc Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Thu, 14 Aug 2025 20:26:27 +0200
Subject: [PATCH 2373/2654] more helpful error message for dose_coefficients
 (#3534)

---
 openmc/data/effective_dose/dose.py |  7 ++++++-
 tests/unit_tests/test_data_dose.py | 20 ++++++++++++++++++++
 2 files changed, 26 insertions(+), 1 deletion(-)

diff --git a/openmc/data/effective_dose/dose.py b/openmc/data/effective_dose/dose.py
index c7f458d1c..d49043b0a 100644
--- a/openmc/data/effective_dose/dose.py
+++ b/openmc/data/effective_dose/dose.py
@@ -82,7 +82,12 @@ def dose_coefficients(particle, geometry='AP', data_source='icrp116'):
     cv.check_value('data_source', data_source, {'icrp74', 'icrp116'})
 
     if (data_source, particle) not in _FILES:
-        raise ValueError(f"{particle} has no dose data in data source {data_source}.")
+        available_particles = sorted({p for (ds, p) in _FILES if ds == data_source})
+        msg = (
+            f"'{particle}' has no dose data in data source {data_source}. "
+            f"Available particles for {data_source} are: {available_particles}"
+        )
+        raise ValueError(msg)
     elif (data_source, particle) not in _DOSE_TABLES:
         _load_dose_icrp(data_source, particle)
 
diff --git a/tests/unit_tests/test_data_dose.py b/tests/unit_tests/test_data_dose.py
index 2d80cf838..4f1880014 100644
--- a/tests/unit_tests/test_data_dose.py
+++ b/tests/unit_tests/test_data_dose.py
@@ -41,3 +41,23 @@ def test_dose_coefficients():
         dose_coefficients('neutron', 'ZZ')
     with raises(ValueError):
         dose_coefficients('neutron', data_source='icrp7000')
+    with raises(ValueError) as excinfo:
+        dose_coefficients("photons", data_source="icrp116")
+    expected_particles = [
+        "electron",
+        "helium",
+        "mu+",
+        "mu-",
+        "neutron",
+        "photon",
+        "photon kerma",
+        "pi+",
+        "pi-",
+        "positron",
+        "proton",
+    ]
+    expected_msg = (
+        "'photons' has no dose data in data source icrp116. "
+        f"Available particles for icrp116 are: {expected_particles}"
+    )
+    assert str(excinfo.value) == expected_msg

From 75b581301256c3c77676f798883d993917c1d221 Mon Sep 17 00:00:00 2001
From: GuySten <62616591+GuySten@users.noreply.github.com>
Date: Mon, 18 Aug 2025 15:42:38 +0200
Subject: [PATCH 2374/2654] Use cached property for openmc.data.Decay.sources
 (#3535)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/data/decay.py | 12 +++---------
 1 file changed, 3 insertions(+), 9 deletions(-)

diff --git a/openmc/data/decay.py b/openmc/data/decay.py
index 66acb2212..1a11d3614 100644
--- a/openmc/data/decay.py
+++ b/openmc/data/decay.py
@@ -1,4 +1,5 @@
 from collections.abc import Iterable
+from functools import cached_property
 from io import StringIO
 from math import log
 import re
@@ -339,7 +340,6 @@ class Decay(EqualityMixin):
         self.modes = []
         self.spectra = {}
         self.average_energies = {}
-        self._sources = None
 
         # Get head record
         items = get_head_record(file_obj)
@@ -506,14 +506,9 @@ class Decay(EqualityMixin):
         """
         return cls(ev_or_filename)
 
-    @property
+    @cached_property
     def sources(self):
         """Radioactive decay source distributions"""
-        # If property has been computed already, return it
-        # TODO: Replace with functools.cached_property when support is Python 3.9+
-        if self._sources is not None:
-            return self._sources
-
         sources = {}
         name = self.nuclide['name']
         decay_constant = self.decay_constant.n
@@ -571,8 +566,7 @@ class Decay(EqualityMixin):
             merged_sources[particle_type] = combine_distributions(
                 dist_list, [1.0]*len(dist_list))
 
-        self._sources = merged_sources
-        return self._sources
+        return merged_sources
 
 
 _DECAY_PHOTON_ENERGY = {}

From c5a71738642244a5d7a27898dd0491f1e3966a6c Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?R=C3=A9mi=20Delaporte-Mathurin?=
 <40028739+RemDelaporteMathurin@users.noreply.github.com>
Date: Mon, 18 Aug 2025 10:34:12 -0400
Subject: [PATCH 2375/2654] Avoid duplicate materials written to XML (#3536)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/material.py                 |  2 +-
 tests/unit_tests/test_materials.py | 16 ++++++++++++++++
 2 files changed, 17 insertions(+), 1 deletion(-)

diff --git a/openmc/material.py b/openmc/material.py
index 0afe5b670..c7b954b66 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -1927,7 +1927,7 @@ class Materials(cv.CheckedList):
             file.write(ET.tostring(element, encoding="unicode"))
 
         # Write the <material> elements.
-        for material in sorted(self, key=lambda x: x.id):
+        for material in sorted(set(self), key=lambda x: x.id):
             element = material.to_xml_element(nuclides_to_ignore=nuclides_to_ignore)
             clean_indentation(element, level=level+1)
             element.tail = element.tail.strip(' ')
diff --git a/tests/unit_tests/test_materials.py b/tests/unit_tests/test_materials.py
index 6c8c59fc9..03484e2b6 100644
--- a/tests/unit_tests/test_materials.py
+++ b/tests/unit_tests/test_materials.py
@@ -61,3 +61,19 @@ def test_materials_deplete():
     # Ni59 is one of the main activation product of Ni60 in the first irradiation
     # step. It then decays in the second cooling step (flux = 0)
     assert Ni59_mat_1_step_1 > 0.0 and Ni59_mat_1_step_1 > Ni59_mat_1_step_2
+
+
+def test_export_duplicate_materials_to_xml(run_in_tmpdir):
+    """
+    Test exporting Materials to xml with a duplicate and checking that only
+    unique entities are exported.
+    """
+    my_mat = openmc.Material(name="my_mat")
+    my_mat2 = openmc.Material(name="my_mat2")
+
+    materials = openmc.Materials([my_mat, my_mat2, my_mat])
+
+    materials.export_to_xml("materials.xml")
+
+    materials_in = openmc.Materials.from_xml("materials.xml")
+    assert len(materials_in) == 2

From 68e894c4b01cfdc027b8961a0f02be987bb44c53 Mon Sep 17 00:00:00 2001
From: GuySten <62616591+GuySten@users.noreply.github.com>
Date: Mon, 18 Aug 2025 16:40:54 +0200
Subject: [PATCH 2376/2654] Fix a bug in time cutoff behavior (#3526)

---
 src/particle.cpp                              | 77 ++++++++-----------
 src/physics_mg.cpp                            |  1 +
 .../time_cutoff/results_true.dat              |  4 +-
 tests/unit_tests/test_mesh.py                 |  2 +-
 4 files changed, 37 insertions(+), 47 deletions(-)

diff --git a/src/particle.cpp b/src/particle.cpp
index 7a003feb9..a0f1d66bd 100644
--- a/src/particle.cpp
+++ b/src/particle.cpp
@@ -44,34 +44,30 @@ namespace openmc {
 
 double Particle::speed() const
 {
-  // Determine mass in eV/c^2
-  double mass;
-  switch (this->type()) {
-  case ParticleType::neutron:
-    mass = MASS_NEUTRON_EV;
-    break;
-  case ParticleType::photon:
-    mass = 0.0;
-    break;
-  case ParticleType::electron:
-  case ParticleType::positron:
-    mass = MASS_ELECTRON_EV;
-    break;
-  }
-
-  if (this->E() < 1.0e-9 * mass) {
-    // If the energy is much smaller than the mass, revert to non-relativistic
-    // formula. The 1e-9 criterion is specifically chosen as the point below
-    // which the error from using the non-relativistic formula is less than the
-    // round-off eror when using the relativistic formula (see analysis at
-    // https://gist.github.com/paulromano/da3b473fe3df33de94b265bdff0c7817)
-    return C_LIGHT * std::sqrt(2 * this->E() / mass);
+  if (settings::run_CE) {
+    // Determine mass in eV/c^2
+    double mass;
+    switch (this->type()) {
+    case ParticleType::neutron:
+      mass = MASS_NEUTRON_EV;
+      break;
+    case ParticleType::photon:
+      mass = 0.0;
+      break;
+    case ParticleType::electron:
+    case ParticleType::positron:
+      mass = MASS_ELECTRON_EV;
+      break;
+    }
+    // Equivalent to C * sqrt(1-(m/(m+E))^2) without problem at E<<m:
+    return C_LIGHT * std::sqrt(this->E() * (this->E() + 2 * mass)) /
+           (this->E() + mass);
   } else {
-    // Calculate inverse of Lorentz factor
-    const double inv_gamma = mass / (this->E() + mass);
-
-    // Calculate speed via v = c * sqrt(1 - γ^-2)
-    return C_LIGHT * std::sqrt(1 - inv_gamma * inv_gamma);
+    auto& macro_xs = data::mg.macro_xs_[this->material()];
+    int macro_t = this->mg_xs_cache().t;
+    int macro_a = macro_xs.get_angle_index(this->u());
+    return 1.0 / macro_xs.get_xs(MgxsType::INVERSE_VELOCITY, this->g(), nullptr,
+                   nullptr, nullptr, macro_t, macro_a);
   }
 }
 
@@ -241,8 +237,14 @@ void Particle::event_advance()
     collision_distance() = -std::log(prn(current_seed())) / macro_xs().total;
   }
 
-  // Select smaller of the two distances
-  double distance = std::min(boundary().distance(), collision_distance());
+  double speed = this->speed();
+  double time_cutoff = settings::time_cutoff[static_cast<int>(type())];
+  double distance_cutoff =
+    (time_cutoff < INFTY) ? (time_cutoff - time()) * speed : INFTY;
+
+  // Select smaller of the three distances
+  double distance =
+    std::min({boundary().distance(), collision_distance(), distance_cutoff});
 
   // Advance particle in space and time
   // Short-term solution until the surface source is revised and we can use
@@ -250,23 +252,10 @@ void Particle::event_advance()
   for (int j = 0; j < n_coord(); ++j) {
     coord(j).r() += distance * coord(j).u();
   }
-  double dt = distance / this->speed();
+  double dt = distance / speed;
   this->time() += dt;
   this->lifetime() += dt;
 
-  // Kill particle if its time exceeds the cutoff
-  bool hit_time_boundary = false;
-  double time_cutoff = settings::time_cutoff[static_cast<int>(type())];
-  if (time() > time_cutoff) {
-    double dt = time() - time_cutoff;
-    time() = time_cutoff;
-    lifetime() = time_cutoff;
-
-    double push_back_distance = speed() * dt;
-    this->move_distance(-push_back_distance);
-    hit_time_boundary = true;
-  }
-
   // Score track-length tallies
   if (!model::active_tracklength_tallies.empty()) {
     score_tracklength_tally(*this, distance);
@@ -284,7 +273,7 @@ void Particle::event_advance()
   }
 
   // Set particle weight to zero if it hit the time boundary
-  if (hit_time_boundary) {
+  if (distance == distance_cutoff) {
     wgt() = 0.0;
   }
 }
diff --git a/src/physics_mg.cpp b/src/physics_mg.cpp
index c97a3d6f3..5ebef9c14 100644
--- a/src/physics_mg.cpp
+++ b/src/physics_mg.cpp
@@ -137,6 +137,7 @@ void create_fission_sites(Particle& p)
     SourceSite site;
     site.r = p.r();
     site.particle = ParticleType::neutron;
+    site.time = p.time();
     site.wgt = 1. / weight;
     site.parent_id = p.id();
     site.progeny_id = p.n_progeny()++;
diff --git a/tests/regression_tests/time_cutoff/results_true.dat b/tests/regression_tests/time_cutoff/results_true.dat
index 1cafceb77..d3d5e1b3c 100644
--- a/tests/regression_tests/time_cutoff/results_true.dat
+++ b/tests/regression_tests/time_cutoff/results_true.dat
@@ -1,5 +1,5 @@
 tally 1:
-2.000000E+03
-4.000000E+05
+1.383148E+02
+1.913099E+03
 0.000000E+00
 0.000000E+00
diff --git a/tests/unit_tests/test_mesh.py b/tests/unit_tests/test_mesh.py
index 3c8e988c0..67ca4028e 100644
--- a/tests/unit_tests/test_mesh.py
+++ b/tests/unit_tests/test_mesh.py
@@ -620,7 +620,7 @@ def test_mesh_material_volumes_serialize():
     assert new_volumes.by_element(3) == [(2, 1.0)]
 
 
-def test_raytrace_mesh_infinite_loop():
+def test_raytrace_mesh_infinite_loop(run_in_tmpdir):
     # Create a model with one large spherical cell
     sphere = openmc.Sphere(r=100, boundary_type='vacuum')
     cell = openmc.Cell(region=-sphere)

From e878aeb82ff240478e3079787a1f94ea5ac58e7f Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Thu, 21 Aug 2025 11:14:21 +0200
Subject: [PATCH 2377/2654] not printing nuclides with 0 percent to terminal
 (option 2 ) (#3448)

---
 openmc/deplete/stepresult.py                 | 2 +-
 tests/unit_tests/test_deplete_resultslist.py | 1 -
 2 files changed, 1 insertion(+), 2 deletions(-)

diff --git a/openmc/deplete/stepresult.py b/openmc/deplete/stepresult.py
index 7c86b8645..1a26cbe34 100644
--- a/openmc/deplete/stepresult.py
+++ b/openmc/deplete/stepresult.py
@@ -233,7 +233,7 @@ class StepResult:
             ) from e
         for nuc, _ in sorted(self.index_nuc.items(), key=lambda x: x[1]):
             atoms = self[0, mat_id, nuc]
-            if atoms < 0.0:
+            if atoms <= 0.0:
                 continue
             atom_per_bcm = atoms / vol * 1e-24
             material.add_nuclide(nuc, atom_per_bcm)
diff --git a/tests/unit_tests/test_deplete_resultslist.py b/tests/unit_tests/test_deplete_resultslist.py
index b22a78650..308eccf7b 100644
--- a/tests/unit_tests/test_deplete_resultslist.py
+++ b/tests/unit_tests/test_deplete_resultslist.py
@@ -220,5 +220,4 @@ def test_stepresult_get_material(res):
     # Spot check number densities
     densities = mat1.get_nuclide_atom_densities()
     assert densities['Xe135'] == pytest.approx(1e-14)
-    assert densities['I135'] == pytest.approx(1e-21)
     assert densities['U234'] == pytest.approx(1.00506e-05)

From 5e3249f0063e1bb9c2fd69d3b7542b4106d20baa Mon Sep 17 00:00:00 2001
From: GuySten <62616591+GuySten@users.noreply.github.com>
Date: Thu, 21 Aug 2025 13:13:50 -0800
Subject: [PATCH 2378/2654] fix tests that accidentaly got broken (#3543)

---
 tests/unit_tests/test_material.py  | 7 ++++---
 tests/unit_tests/test_materials.py | 9 +++++----
 2 files changed, 9 insertions(+), 7 deletions(-)

diff --git a/tests/unit_tests/test_material.py b/tests/unit_tests/test_material.py
index eae814a75..2e3724272 100644
--- a/tests/unit_tests/test_material.py
+++ b/tests/unit_tests/test_material.py
@@ -738,11 +738,12 @@ def test_material_deplete():
         chain_file=chain,
     )
 
-    for material in depleted_material:
+    for i_step, material in enumerate(depleted_material):
         assert isinstance(material, openmc.Material)
-        assert len(material.get_nuclides()) > len(pristine_material.get_nuclides())
+        if i_step > 0:
+            assert len(material.get_nuclides()) > len(pristine_material.get_nuclides())
 
-    Co58_mat_1_step_0 = depleted_material[0].get_nuclide_atom_densities("Co58")["Co58"]
+    Co58_mat_1_step_0 = depleted_material[0].get_nuclide_atom_densities("Co58").get("Co58", 0.0)
     Co58_mat_1_step_1 = depleted_material[1].get_nuclide_atom_densities("Co58")["Co58"]
     Co58_mat_1_step_2 = depleted_material[2].get_nuclide_atom_densities("Co58")["Co58"]
 
diff --git a/tests/unit_tests/test_materials.py b/tests/unit_tests/test_materials.py
index 03484e2b6..5a382b777 100644
--- a/tests/unit_tests/test_materials.py
+++ b/tests/unit_tests/test_materials.py
@@ -38,13 +38,14 @@ def test_materials_deplete():
 
     assert list(depleted_material.keys()) == [pristine_material_1.id, pristine_material_2.id]
     for mat_id, materials in depleted_material.items():
-        for material in materials:
+        for i_step, material in enumerate(materials):
             assert isinstance(material, openmc.Material)
-            assert len(material.get_nuclides()) > 1
+            if i_step > 0:
+                assert len(material.get_nuclides()) > 1
             assert mat_id == material.id
 
     mats = depleted_material[pristine_material_1.id]
-    Co58_mat_1_step_0 = mats[0].get_nuclide_atom_densities("Co58")["Co58"]
+    Co58_mat_1_step_0 = mats[0].get_nuclide_atom_densities("Co58").get("Co58", 0.0)
     Co58_mat_1_step_1 = mats[1].get_nuclide_atom_densities("Co58")["Co58"]
     Co58_mat_1_step_2 = mats[2].get_nuclide_atom_densities("Co58")["Co58"]
 
@@ -53,7 +54,7 @@ def test_materials_deplete():
     # It then decays in the second cooling step (flux = 0)
     assert Co58_mat_1_step_1 > 0.0 and Co58_mat_1_step_1 > Co58_mat_1_step_2
 
-    Ni59_mat_1_step_0 = mats[0].get_nuclide_atom_densities("Ni59")["Ni59"]
+    Ni59_mat_1_step_0 = mats[0].get_nuclide_atom_densities("Ni59").get("Ni59", 0.0)
     Ni59_mat_1_step_1 = mats[1].get_nuclide_atom_densities("Ni59")["Ni59"]
     Ni59_mat_1_step_2 = mats[2].get_nuclide_atom_densities("Ni59")["Ni59"]
 

From d1df80a210f94a9b68194310e1e540a863b2ce8c Mon Sep 17 00:00:00 2001
From: GuySten <62616591+GuySten@users.noreply.github.com>
Date: Fri, 22 Aug 2025 06:58:39 -0800
Subject: [PATCH 2379/2654] Leverage particle.move_distance in event advance
 (#3544)

---
 src/particle.cpp | 6 +-----
 1 file changed, 1 insertion(+), 5 deletions(-)

diff --git a/src/particle.cpp b/src/particle.cpp
index a0f1d66bd..fb41d82e9 100644
--- a/src/particle.cpp
+++ b/src/particle.cpp
@@ -247,11 +247,7 @@ void Particle::event_advance()
     std::min({boundary().distance(), collision_distance(), distance_cutoff});
 
   // Advance particle in space and time
-  // Short-term solution until the surface source is revised and we can use
-  // this->move_distance(distance)
-  for (int j = 0; j < n_coord(); ++j) {
-    coord(j).r() += distance * coord(j).u();
-  }
+  this->move_distance(distance);
   double dt = distance / speed;
   this->time() += dt;
   this->lifetime() += dt;

From b14eff47603dbc1e52fbef11cced930bbc6869b2 Mon Sep 17 00:00:00 2001
From: GuySten <62616591+GuySten@users.noreply.github.com>
Date: Wed, 27 Aug 2025 22:28:11 +0300
Subject: [PATCH 2380/2654] fix broken CI (#3551)

---
 .github/workflows/format-check.yml | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/.github/workflows/format-check.yml b/.github/workflows/format-check.yml
index cef14ca2c..c2ceb88e2 100644
--- a/.github/workflows/format-check.yml
+++ b/.github/workflows/format-check.yml
@@ -14,7 +14,7 @@ jobs:
     runs-on: ubuntu-latest
     steps:
       - uses: actions/checkout@v4
-      - uses: cpp-linter/cpp-linter-action@v2
+      - uses: cpp-linter/cpp-linter-action@v2.16.0
         id: linter
         env:
           GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }}

From 2a278c93a67e6666c4408b752fd9c4f0e91e7cfe Mon Sep 17 00:00:00 2001
From: GuySten <62616591+GuySten@users.noreply.github.com>
Date: Thu, 28 Aug 2025 02:18:06 +0300
Subject: [PATCH 2381/2654] Revert "fix broken CI" (#3554)

---
 .github/workflows/format-check.yml | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/.github/workflows/format-check.yml b/.github/workflows/format-check.yml
index c2ceb88e2..cef14ca2c 100644
--- a/.github/workflows/format-check.yml
+++ b/.github/workflows/format-check.yml
@@ -14,7 +14,7 @@ jobs:
     runs-on: ubuntu-latest
     steps:
       - uses: actions/checkout@v4
-      - uses: cpp-linter/cpp-linter-action@v2.16.0
+      - uses: cpp-linter/cpp-linter-action@v2
         id: linter
         env:
           GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }}

From 5529731e2f7933b3386a854db24edf3e2e535a44 Mon Sep 17 00:00:00 2001
From: GuySten <62616591+GuySten@users.noreply.github.com>
Date: Fri, 29 Aug 2025 15:06:33 +0300
Subject: [PATCH 2382/2654] Refactor endf_data to be a fixture (#3539)

---
 openmc/config.py                           | 16 +++----
 tests/conftest.py                          |  6 ++-
 tests/unit_tests/test_data_decay.py        |  9 ++--
 tests/unit_tests/test_data_kalbach_mann.py |  7 +--
 tests/unit_tests/test_data_misc.py         |  2 +-
 tests/unit_tests/test_data_multipole.py    | 10 ++--
 tests/unit_tests/test_data_neutron.py      | 56 ++++++++--------------
 tests/unit_tests/test_data_photon.py       |  7 ++-
 tests/unit_tests/test_data_thermal.py      | 22 ++++-----
 tests/unit_tests/test_deplete_chain.py     | 10 ++--
 10 files changed, 59 insertions(+), 86 deletions(-)

diff --git a/openmc/config.py b/openmc/config.py
index d61fb2d31..e75973495 100644
--- a/openmc/config.py
+++ b/openmc/config.py
@@ -193,12 +193,12 @@ def _default_config() -> _Config:
 
     """
     config = _Config()
-    if "OPENMC_CROSS_SECTIONS" in os.environ:
-        config['cross_sections'] = os.environ["OPENMC_CROSS_SECTIONS"]
-    if "OPENMC_MG_CROSS_SECTIONS" in os.environ:
-        config['mg_cross_sections'] = os.environ["OPENMC_MG_CROSS_SECTIONS"]
-    chain_file = os.environ.get("OPENMC_CHAIN_FILE")
-    xs_path = config.get('cross_sections')
+    for key,var in _Config._PATH_KEYS.items():
+        if var in os.environ:
+            config[key] = os.environ[var]
+    
+    chain_file = config.get("chain_file")
+    xs_path = config.get("cross_sections")
     if chain_file is None and xs_path is not None and xs_path.exists():
         try:
             data = DataLibrary.from_xml(xs_path)
@@ -209,10 +209,8 @@ def _default_config() -> _Config:
         else:
             for lib in reversed(data.libraries):
                 if lib['type'] == 'depletion_chain':
-                    chain_file = xs_path.parent / lib['path']
+                    config['chain_file'] = xs_path.parent / lib['path']
                     break
-    if chain_file is not None:
-        config['chain_file'] = chain_file
     return config
 
 
diff --git a/tests/conftest.py b/tests/conftest.py
index cd86da539..fa6718502 100644
--- a/tests/conftest.py
+++ b/tests/conftest.py
@@ -1,3 +1,4 @@
+import os
 import pytest
 import openmc
 
@@ -28,7 +29,10 @@ def run_in_tmpdir(tmpdir):
         yield
     finally:
         orig.chdir()
-
+        
+@pytest.fixture(scope="module")
+def endf_data():
+    return os.environ['OPENMC_ENDF_DATA']        
 
 @pytest.fixture(scope='session', autouse=True)
 def resolve_paths():
diff --git a/tests/unit_tests/test_data_decay.py b/tests/unit_tests/test_data_decay.py
index 8900e7eac..de8d90a43 100644
--- a/tests/unit_tests/test_data_decay.py
+++ b/tests/unit_tests/test_data_decay.py
@@ -17,25 +17,22 @@ def ufloat_close(a, b):
 
 
 @pytest.fixture(scope='module')
-def nb90():
+def nb90(endf_data):
     """Nb90 decay data."""
-    endf_data = os.environ['OPENMC_ENDF_DATA']
     filename = os.path.join(endf_data, 'decay', 'dec-041_Nb_090.endf')
     return openmc.data.Decay.from_endf(filename)
 
 
 @pytest.fixture(scope='module')
-def ba137m():
+def ba137m(endf_data):
     """Ba137_m1 decay data."""
-    endf_data = os.environ['OPENMC_ENDF_DATA']
     filename = os.path.join(endf_data, 'decay', 'dec-056_Ba_137m1.endf')
     return openmc.data.Decay.from_endf(filename)
 
 
 @pytest.fixture(scope='module')
-def u235_yields():
+def u235_yields(endf_data):
     """U235 fission product yield data."""
-    endf_data = os.environ['OPENMC_ENDF_DATA']
     filename = os.path.join(endf_data, 'nfy', 'nfy-092_U_235.endf')
     return openmc.data.FissionProductYields.from_endf(filename)
 
diff --git a/tests/unit_tests/test_data_kalbach_mann.py b/tests/unit_tests/test_data_kalbach_mann.py
index 3b837af7d..5d06669f7 100644
--- a/tests/unit_tests/test_data_kalbach_mann.py
+++ b/tests/unit_tests/test_data_kalbach_mann.py
@@ -7,6 +7,7 @@ import pytest
 
 import numpy as np
 
+import openmc
 from openmc.data import IncidentNeutron
 from openmc.data.kalbach_mann import _separation_energy, _AtomicRepresentation
 from openmc.data import kalbach_slope
@@ -129,7 +130,7 @@ def test_kalbach_slope():
         ('Hg204.h5', 'n-080_Hg_204.endf')
     ]
 )
-def test_comparison_slope_hdf5(hdf5_filename, endf_filename):
+def test_comparison_slope_hdf5(hdf5_filename, endf_filename, endf_data):
     """Test the calculation of the Kalbach-Mann slope done by OpenMC
     by comparing it to HDF5 data. The test is based on the first product
     of MT=5 (neutron). The isotopes tested have been selected because the
@@ -147,13 +148,13 @@ def test_comparison_slope_hdf5(hdf5_filename, endf_filename):
 
     """
     # HDF5 data
-    hdf5_directory = Path(os.environ['OPENMC_CROSS_SECTIONS']).parent
+    hdf5_directory = Path(openmc.config.get('cross_sections')).parent
     hdf5_data = IncidentNeutron.from_hdf5(hdf5_directory / hdf5_filename)
     hdf5_product = hdf5_data[5].products[0]
     hdf5_distribution = hdf5_product.distribution[0]
 
     # ENDF data
-    endf_directory = Path(os.environ['OPENMC_ENDF_DATA'])
+    endf_directory = Path(endf_data)
     endf_path = endf_directory / 'neutrons' / endf_filename
     endf_data = IncidentNeutron.from_endf(endf_path)
     endf_product = endf_data[5].products[0]
diff --git a/tests/unit_tests/test_data_misc.py b/tests/unit_tests/test_data_misc.py
index b65c704af..14db68913 100644
--- a/tests/unit_tests/test_data_misc.py
+++ b/tests/unit_tests/test_data_misc.py
@@ -30,7 +30,7 @@ def test_data_library(tmpdir):
     assert os.path.exists(filename)
 
     new_lib = openmc.data.DataLibrary()
-    directory = os.path.dirname(os.environ['OPENMC_CROSS_SECTIONS'])
+    directory = os.path.dirname(openmc.config.get('cross_sections'))
     new_lib.register_file(os.path.join(directory, 'H1.h5'))
     assert new_lib[-1]['type'] == 'neutron'
     new_lib.register_file(os.path.join(directory, 'c_Zr_in_ZrH.h5'))
diff --git a/tests/unit_tests/test_data_multipole.py b/tests/unit_tests/test_data_multipole.py
index bc7136a97..105099bb9 100644
--- a/tests/unit_tests/test_data_multipole.py
+++ b/tests/unit_tests/test_data_multipole.py
@@ -8,14 +8,14 @@ import openmc.data
 
 @pytest.fixture(scope='module')
 def u235():
-    directory = pathlib.Path(os.environ['OPENMC_CROSS_SECTIONS']).parent
+    directory = pathlib.Path(openmc.config.get('cross_sections')).parent
     u235 = directory / 'wmp' / '092235.h5'
     return openmc.data.WindowedMultipole.from_hdf5(u235)
 
 
 @pytest.fixture(scope='module')
 def b10():
-    directory = pathlib.Path(os.environ['OPENMC_CROSS_SECTIONS']).parent
+    directory = pathlib.Path(openmc.config.get('cross_sections')).parent
     b10 = directory / 'wmp' / '005010.h5'
     return openmc.data.WindowedMultipole.from_hdf5(b10)
 
@@ -48,17 +48,15 @@ def test_export_to_hdf5(tmpdir, u235):
     assert os.path.exists(filename)
 
 
-def test_from_endf():
+def test_from_endf(endf_data):
     pytest.importorskip('vectfit')
-    endf_data = os.environ['OPENMC_ENDF_DATA']
     endf_file = os.path.join(endf_data, 'neutrons', 'n-001_H_001.endf')
     assert openmc.data.WindowedMultipole.from_endf(
             endf_file, log=True, wmp_options={"n_win": 400, "n_cf": 3})
 
 
-def test_from_endf_search():
+def test_from_endf_search(endf_data):
     pytest.importorskip('vectfit')
-    endf_data = os.environ['OPENMC_ENDF_DATA']
     endf_file = os.path.join(endf_data, 'neutrons', 'n-095_Am_244.endf')
     assert openmc.data.WindowedMultipole.from_endf(
             endf_file, log=True, wmp_options={"search": True, 'rtol':1e-2})
diff --git a/tests/unit_tests/test_data_neutron.py b/tests/unit_tests/test_data_neutron.py
index db6ae1eb8..d43d93ae5 100644
--- a/tests/unit_tests/test_data_neutron.py
+++ b/tests/unit_tests/test_data_neutron.py
@@ -14,128 +14,113 @@ _TEMPERATURES = [300., 600., 900.]
 @pytest.fixture(scope='module')
 def pu239():
     """Pu239 HDF5 data."""
-    directory = os.path.dirname(os.environ['OPENMC_CROSS_SECTIONS'])
+    directory = os.path.dirname(openmc.config.get('cross_sections'))
     filename = os.path.join(directory, 'Pu239.h5')
     return openmc.data.IncidentNeutron.from_hdf5(filename)
 
 
 @pytest.fixture(scope='module')
-def xe135():
+def xe135(endf_data):
     """Xe135 ENDF data (contains SLBW resonance range)"""
-    endf_data = os.environ['OPENMC_ENDF_DATA']
     filename = os.path.join(endf_data, 'neutrons', 'n-054_Xe_135.endf')
     return openmc.data.IncidentNeutron.from_endf(filename)
 
 
 @pytest.fixture(scope='module')
-def sm150():
+def sm150(endf_data):
     """Sm150 ENDF data (contains MLBW resonance range)"""
-    endf_data = os.environ['OPENMC_ENDF_DATA']
     filename = os.path.join(endf_data, 'neutrons', 'n-062_Sm_150.endf')
     return openmc.data.IncidentNeutron.from_endf(filename)
 
 
 @pytest.fixture(scope='module')
-def gd154():
+def gd154(endf_data):
     """Gd154 ENDF data (contains Reich Moore resonance range and reosnance
     covariance with LCOMP=1)."""
-    endf_data = os.environ['OPENMC_ENDF_DATA']
     filename = os.path.join(endf_data, 'neutrons', 'n-064_Gd_154.endf')
     return openmc.data.IncidentNeutron.from_endf(filename, covariance=True)
 
 
 @pytest.fixture(scope='module')
-def cl35():
+def cl35(endf_data):
     """Cl35 ENDF data (contains RML resonance range)"""
-    endf_data = os.environ['OPENMC_ENDF_DATA']
     filename = os.path.join(endf_data, 'neutrons', 'n-017_Cl_035.endf')
     return openmc.data.IncidentNeutron.from_endf(filename)
 
 
 @pytest.fixture(scope='module')
-def am241():
+def am241(endf_data):
     """Am241 ENDF data (contains Madland-Nix fission energy distribution)."""
-    endf_data = os.environ['OPENMC_ENDF_DATA']
     filename = os.path.join(endf_data, 'neutrons', 'n-095_Am_241.endf')
     return openmc.data.IncidentNeutron.from_endf(filename)
 
 
 @pytest.fixture(scope='module')
-def u233():
+def u233(endf_data):
     """U233 ENDF data (contains Watt fission energy distribution)."""
-    endf_data = os.environ['OPENMC_ENDF_DATA']
     filename = os.path.join(endf_data, 'neutrons', 'n-092_U_233.endf')
     return openmc.data.IncidentNeutron.from_endf(filename)
 
 
 @pytest.fixture(scope='module')
-def u236():
+def u236(endf_data):
     """U236 ENDF data (contains Watt fission energy distribution)."""
-    endf_data = os.environ['OPENMC_ENDF_DATA']
     filename = os.path.join(endf_data, 'neutrons', 'n-092_U_236.endf')
     return openmc.data.IncidentNeutron.from_endf(filename)
 
 
 @pytest.fixture(scope='module')
-def na22():
+def na22(endf_data):
     """Na22 ENDF data (contains evaporation spectrum)."""
-    endf_data = os.environ['OPENMC_ENDF_DATA']
     filename = os.path.join(endf_data, 'neutrons', 'n-011_Na_022.endf')
     return openmc.data.IncidentNeutron.from_endf(filename)
 
 
 @pytest.fixture(scope='module')
-def na23():
+def na23(endf_data):
     """Na23 ENDF data (contains MLBW resonance covariance with LCOMP=0)."""
-    endf_data = os.environ['OPENMC_ENDF_DATA']
     filename = os.path.join(endf_data, 'neutrons', 'n-011_Na_023.endf')
     return openmc.data.IncidentNeutron.from_endf(filename, covariance=True)
 
 
 @pytest.fixture(scope='module')
-def be9():
+def be9(endf_data):
     """Be9 ENDF data (contains laboratory angle-energy distribution)."""
-    endf_data = os.environ['OPENMC_ENDF_DATA']
     filename = os.path.join(endf_data, 'neutrons', 'n-004_Be_009.endf')
     return openmc.data.IncidentNeutron.from_endf(filename)
 
 
 @pytest.fixture(scope='module')
-def h2():
-    endf_data = os.environ['OPENMC_ENDF_DATA']
+def h2(endf_data):
     endf_file = os.path.join(endf_data, 'neutrons', 'n-001_H_002.endf')
     return openmc.data.IncidentNeutron.from_njoy(
         endf_file, temperatures=_TEMPERATURES)
 
 
 @pytest.fixture(scope='module')
-def am244():
-    endf_data = os.environ['OPENMC_ENDF_DATA']
+def am244(endf_data):
     endf_file = os.path.join(endf_data, 'neutrons', 'n-095_Am_244.endf')
     return openmc.data.IncidentNeutron.from_njoy(endf_file)
 
 
 @pytest.fixture(scope='module')
-def ti50():
+def ti50(endf_data):
     """Ti50 ENDF data (contains Multi-level Breit-Wigner resonance range and
        resonance covariance with LCOMP=1)."""
-    endf_data = os.environ['OPENMC_ENDF_DATA']
     filename = os.path.join(endf_data, 'neutrons', 'n-022_Ti_050.endf')
     return openmc.data.IncidentNeutron.from_endf(filename, covariance=True)
 
 
 @pytest.fixture(scope='module')
-def cf252():
+def cf252(endf_data):
     """Cf252 ENDF data (contains RM resonance covariance with LCOMP=0)."""
-    endf_data = os.environ['OPENMC_ENDF_DATA']
     filename = os.path.join(endf_data, 'neutrons', 'n-098_Cf_252.endf')
     return openmc.data.IncidentNeutron.from_endf(filename, covariance=True)
 
 
 @pytest.fixture(scope='module')
-def th232():
+def th232(endf_data):
     """Th232 ENDF data (contains RM resonance covariance with LCOMP=2)."""
-    endf_data = os.environ['OPENMC_ENDF_DATA']
     filename = os.path.join(endf_data, 'neutrons', 'n-090_Th_232.endf')
     return openmc.data.IncidentNeutron.from_endf(filename, covariance=True)
 
@@ -453,8 +438,7 @@ def test_laboratory(be9):
 
 
 @needs_njoy
-def test_correlated(tmpdir):
-    endf_data = os.environ['OPENMC_ENDF_DATA']
+def test_correlated(tmpdir, endf_data):
     endf_file = os.path.join(endf_data, 'neutrons', 'n-014_Si_030.endf')
     si30 = openmc.data.IncidentNeutron.from_njoy(endf_file, heatr=False)
 
@@ -480,8 +464,7 @@ def test_nbody(tmpdir, h2):
 
 
 @needs_njoy
-def test_ace_convert(run_in_tmpdir):
-    endf_data = os.environ['OPENMC_ENDF_DATA']
+def test_ace_convert(run_in_tmpdir, endf_data):
     filename = os.path.join(endf_data, 'neutrons', 'n-001_H_001.endf')
     ace_ascii = 'ace_ascii'
     ace_binary = 'ace_binary'
@@ -515,8 +498,7 @@ def test_ace_table_types():
 
 
 @needs_njoy
-def test_high_temperature():
-    endf_data = os.environ['OPENMC_ENDF_DATA']
+def test_high_temperature(endf_data):
     endf_file = os.path.join(endf_data, 'neutrons', 'n-001_H_001.endf')
 
     # Ensure that from_njoy works when given a high temperature
diff --git a/tests/unit_tests/test_data_photon.py b/tests/unit_tests/test_data_photon.py
index 010ac1f35..98b180f52 100644
--- a/tests/unit_tests/test_data_photon.py
+++ b/tests/unit_tests/test_data_photon.py
@@ -9,9 +9,8 @@ import openmc.data
 
 
 @pytest.fixture(scope='module')
-def elements_endf():
+def elements_endf(endf_data):
     """Dictionary of element ENDF data indexed by atomic symbol."""
-    endf_data = os.environ['OPENMC_ENDF_DATA']
     elements = {'H': 1, 'O': 8, 'Al': 13, 'Cu': 29, 'Ag': 47, 'U': 92, 'Pu': 94}
     data = {}
     for symbol, Z in elements.items():
@@ -145,8 +144,8 @@ def test_export_to_hdf5(tmpdir, element):
     element2.export_to_hdf5(filename, 'w')
 
 
-def test_photodat_only(run_in_tmpdir):
-    endf_dir = Path(os.environ['OPENMC_ENDF_DATA'])
+def test_photodat_only(run_in_tmpdir, endf_data):
+    endf_dir = Path(endf_data)
     photoatomic_file = endf_dir / 'photoat' / 'photoat-001_H_000.endf'
     data = openmc.data.IncidentPhoton.from_endf(photoatomic_file)
     data.export_to_hdf5('tmp.h5', 'w')
diff --git a/tests/unit_tests/test_data_thermal.py b/tests/unit_tests/test_data_thermal.py
index c9fd9045b..c444d0c58 100644
--- a/tests/unit_tests/test_data_thermal.py
+++ b/tests/unit_tests/test_data_thermal.py
@@ -13,7 +13,7 @@ from . import needs_njoy
 @pytest.fixture(scope='module')
 def h2o():
     """H in H2O thermal scattering data."""
-    directory = os.path.dirname(os.environ['OPENMC_CROSS_SECTIONS'])
+    directory = os.path.dirname(openmc.config.get('cross_sections'))
     filename = os.path.join(directory, 'c_H_in_H2O.h5')
     return openmc.data.ThermalScattering.from_hdf5(filename)
 
@@ -21,15 +21,14 @@ def h2o():
 @pytest.fixture(scope='module')
 def graphite():
     """Graphite thermal scattering data."""
-    directory = os.path.dirname(os.environ['OPENMC_CROSS_SECTIONS'])
+    directory = os.path.dirname(openmc.config.get('cross_sections'))
     filename = os.path.join(directory, 'c_Graphite.h5')
     return openmc.data.ThermalScattering.from_hdf5(filename)
 
 
 @pytest.fixture(scope='module')
-def h2o_njoy():
+def h2o_njoy(endf_data):
     """H in H2O generated using NJOY."""
-    endf_data = os.environ['OPENMC_ENDF_DATA']
     path_h1 = os.path.join(endf_data, 'neutrons', 'n-001_H_001.endf')
     path_h2o = os.path.join(endf_data, 'thermal_scatt', 'tsl-HinH2O.endf')
     return openmc.data.ThermalScattering.from_njoy(
@@ -37,17 +36,15 @@ def h2o_njoy():
 
 
 @pytest.fixture(scope='module')
-def hzrh():
+def hzrh(endf_data):
     """H in ZrH thermal scattering data."""
-    endf_data = os.environ['OPENMC_ENDF_DATA']
     filename = os.path.join(endf_data, 'thermal_scatt', 'tsl-HinZrH.endf')
     return openmc.data.ThermalScattering.from_endf(filename, divide_incoherent_elastic=True)
 
 
 @pytest.fixture(scope='module')
-def hzrh_njoy():
+def hzrh_njoy(endf_data):
     """H in ZrH generated using NJOY."""
-    endf_data = os.environ['OPENMC_ENDF_DATA']
     path_h1 = os.path.join(endf_data, 'neutrons', 'n-001_H_001.endf')
     path_hzrh = os.path.join(endf_data, 'thermal_scatt', 'tsl-HinZrH.endf')
     with_endf_data = openmc.data.ThermalScattering.from_njoy(
@@ -60,9 +57,8 @@ def hzrh_njoy():
 
 
 @pytest.fixture(scope='module')
-def sio2():
+def sio2(endf_data):
     """SiO2 thermal scattering data."""
-    endf_data = os.environ['OPENMC_ENDF_DATA']
     filename = os.path.join(endf_data, 'thermal_scatt', 'tsl-SiO2.endf')
     return openmc.data.ThermalScattering.from_endf(filename, divide_incoherent_elastic=True)
 
@@ -102,8 +98,7 @@ def test_graphite_xs(graphite):
     assert elastic([1e-3, 1.0]) == pytest.approx([0.0, 0.62586153])
 
 @needs_njoy
-def test_graphite_njoy():
-    endf_data = os.environ['OPENMC_ENDF_DATA']
+def test_graphite_njoy(endf_data):
     path_c0 = os.path.join(endf_data, 'neutrons', 'n-006_C_000.endf')
     path_gr = os.path.join(endf_data, 'thermal_scatt', 'tsl-graphite.endf')
     graphite = openmc.data.ThermalScattering.from_njoy(
@@ -141,8 +136,7 @@ def test_continuous_dist(h2o_njoy):
         assert isinstance(dist, openmc.data.IncoherentInelasticAE)
 
 
-def test_h2o_endf():
-    endf_data = os.environ['OPENMC_ENDF_DATA']
+def test_h2o_endf(endf_data):
     filename = os.path.join(endf_data, 'thermal_scatt', 'tsl-HinH2O.endf')
     h2o = openmc.data.ThermalScattering.from_endf(filename, divide_incoherent_elastic=True)
     assert not h2o.elastic
diff --git a/tests/unit_tests/test_deplete_chain.py b/tests/unit_tests/test_deplete_chain.py
index bd5cc2263..e90b61022 100644
--- a/tests/unit_tests/test_deplete_chain.py
+++ b/tests/unit_tests/test_deplete_chain.py
@@ -54,11 +54,11 @@ def simple_chain():
 
 
 @pytest.fixture(scope='module')
-def endf_chain():
-    endf_data = Path(os.environ['OPENMC_ENDF_DATA'])
-    decay_data = (endf_data / 'decay').glob('*.endf')
-    fpy_data = (endf_data / 'nfy').glob('*.endf')
-    neutron_data = (endf_data / 'neutrons').glob('*.endf')
+def endf_chain(endf_data):
+    endf_dir = Path(endf_data)
+    decay_data = (endf_dir / 'decay').glob('*.endf')
+    fpy_data = (endf_dir / 'nfy').glob('*.endf')
+    neutron_data = (endf_dir / 'neutrons').glob('*.endf')
     return Chain.from_endf(decay_data, fpy_data, neutron_data)
 
 

From ec15803d4134e7e72384801ce08b03b45608d6ba Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Sat, 30 Aug 2025 03:39:45 +0200
Subject: [PATCH 2383/2654] adding ecco 33 (#3556)

---
 openmc/mgxs/__init__.py | 13 +++++++++++++
 1 file changed, 13 insertions(+)

diff --git a/openmc/mgxs/__init__.py b/openmc/mgxs/__init__.py
index f8de84b37..5de85afb0 100644
--- a/openmc/mgxs/__init__.py
+++ b/openmc/mgxs/__init__.py
@@ -18,6 +18,8 @@ GROUP_STRUCTURES = {}
   ([ZAL1999]_ and [REARDEN2013]_)
 - "MPACT-X" (where X is 51 (PWR), 60 (BWR), 69 (Magnox)) from the MPACT_ reactor
   physics code ([KIM2019]_ and [KIM2020]_)
+- "ECCO-33" intended for fast reactor criticality benchmarks. It’s derived as a
+  subset of VITAMIN‑J
 - "ECCO-1968_" designed for fine group reactor cell calculations for fast,
   intermediate and thermal reactor applications ([SAR1990]_)
 - activation_ energy group structures "VITAMIN-J-42", "VITAMIN-J-175",
@@ -25,6 +27,7 @@ GROUP_STRUCTURES = {}
 
 .. _CASMO: http://large.stanford.edu/courses/2013/ph241/dalvi1/docs/c5.physor2006.pdf
 .. _SCALE44: https://www-nds.iaea.org/publications/indc/indc-czr-0001.pdf
+.. _ECCO-33: https://serpent.vtt.fi/mediawiki/index.php/ECCO_33-group_structure
 .. _SCALE252: https://oecd-nea.org/science/wpncs/amct/workingarea/meeting2013/EGAMCT2013_08.pdf
 .. _MPACT: https://vera.ornl.gov/mpact/
 .. _XMAS-172: https://www-nds.iaea.org/wimsd/energy.htm
@@ -81,6 +84,16 @@ GROUP_STRUCTURES['CASMO-25']  = np.array([
     0., 3.e-2, 5.8e-2, 1.4e-1, 2.8e-1, 3.5e-1, 6.25e-1, 9.72e-1, 1.02, 1.097,
     1.15, 1.855, 4., 9.877, 1.5968e1, 1.4873e2, 5.53e3, 9.118e3, 1.11e5, 5.e5,
     8.21e5, 1.353e6, 2.231e6, 3.679e6, 6.0655e6, 2.e7])
+GROUP_STRUCTURES['ECCO-33'] = np.array([
+    1.0000100000E-05, 1.0000000000E-01, 5.4000000000E-01, 4.0000000000E+00,
+    8.3152870000E+00, 1.3709590000E+01, 2.2603290000E+01, 4.0169000000E+01,
+    6.7904050000E+01, 9.1660880000E+01, 1.4862540000E+02, 3.0432480000E+02,
+    4.5399930000E+02, 7.4851830000E+02, 1.2340980000E+03, 2.0346840000E+03,
+    3.3546260000E+03, 5.5308440000E+03, 9.1188200000E+03, 1.5034390000E+04,
+    2.4787520000E+04, 4.0867710000E+04, 6.7379470000E+04, 1.1109000000E+05,
+    1.8315640000E+05, 3.0197380000E+05, 4.9787070000E+05, 8.2085000000E+05,
+    1.3533530000E+06, 2.2313020000E+06, 3.6787940000E+06, 6.0653070000E+06,
+    1.0000000000E+07, 1.9640330000E+07])
 GROUP_STRUCTURES['CASMO-40'] = np.array([
     0., 1.5e-2, 3.e-2, 4.2e-2, 5.8e-2, 8.e-2, 1.e-1, 1.4e-1,
     1.8e-1, 2.2e-1, 2.8e-1, 3.5e-1, 6.25e-1, 8.5e-1, 9.5e-1,

From 00edc77691c60411cf00431fdc6788f8fceb886a Mon Sep 17 00:00:00 2001
From: GuySten <62616591+GuySten@users.noreply.github.com>
Date: Sat, 30 Aug 2025 05:39:46 +0200
Subject: [PATCH 2384/2654] Change test order to run unit tests first. (#3533)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/cell.py                  | 6 +++---
 openmc/config.py                | 6 +++---
 tests/unit_tests/test_config.py | 5 +++--
 tools/ci/gha-script.sh          | 4 ++--
 4 files changed, 11 insertions(+), 10 deletions(-)

diff --git a/openmc/cell.py b/openmc/cell.py
index 672afe095..88aaebc8f 100644
--- a/openmc/cell.py
+++ b/openmc/cell.py
@@ -567,10 +567,10 @@ class Cell(IDManagerMixin):
         .. versionadded:: 0.14.0
         """
         # Create dummy universe but preserve used_ids
-        next_id = openmc.Universe.next_id
+        next_id = openmc.UniverseBase.next_id
         u = openmc.Universe(cells=[self])
-        openmc.Universe.used_ids.remove(u.id)
-        openmc.Universe.next_id = next_id
+        openmc.UniverseBase.used_ids.remove(u.id)
+        openmc.UniverseBase.next_id = next_id
         return u.plot(*args, **kwargs)
 
     def create_xml_subelement(self, xml_element, memo=None):
diff --git a/openmc/config.py b/openmc/config.py
index e75973495..23d8e23a7 100644
--- a/openmc/config.py
+++ b/openmc/config.py
@@ -178,7 +178,7 @@ class _Config(MutableMapping):
                 self[key] = previous_value
 
 
-def _default_config() -> _Config:
+def _default_config(**kwargs) -> _Config:
     """Create a configuration initialized from environment variables.
 
     This function checks for OPENMC_CROSS_SECTIONS, OPENMC_MG_CROSS_SECTIONS,
@@ -192,11 +192,11 @@ def _default_config() -> _Config:
         A new configuration object.
 
     """
-    config = _Config()
+    config = _Config(kwargs)
     for key,var in _Config._PATH_KEYS.items():
         if var in os.environ:
             config[key] = os.environ[var]
-    
+
     chain_file = config.get("chain_file")
     xs_path = config.get("cross_sections")
     if chain_file is None and xs_path is not None and xs_path.exists():
diff --git a/tests/unit_tests/test_config.py b/tests/unit_tests/test_config.py
index 242c59b5e..45e6a7e5a 100644
--- a/tests/unit_tests/test_config.py
+++ b/tests/unit_tests/test_config.py
@@ -13,6 +13,7 @@ def reset_config_and_env():
     """A fixture to ensure each test has a clean config, env, and CWD."""
     original_env = dict(os.environ)
     original_cwd = os.getcwd()
+    original_resolve_paths = openmc.config["resolve_paths"]
 
     # Reset environment variables that affect config
     for key in ['OPENMC_CROSS_SECTIONS', 'OPENMC_MG_CROSS_SECTIONS', 'OPENMC_CHAIN_FILE']:
@@ -25,13 +26,13 @@ def reset_config_and_env():
     try:
         yield
     finally:
-        # Restore environment and CWD
+        # Restore environment, CWD and resolve_paths
         os.environ.clear()
         os.environ.update(original_env)
         os.chdir(original_cwd)
 
         # Restore config one last time for safety between modules
-        openmc.config = _default_config()
+        openmc.config = _default_config(resolve_paths=original_resolve_paths)
 
 
 def test_config_basics():
diff --git a/tools/ci/gha-script.sh b/tools/ci/gha-script.sh
index c7c634ffa..c0f754c32 100755
--- a/tools/ci/gha-script.sh
+++ b/tools/ci/gha-script.sh
@@ -14,5 +14,5 @@ if [[ $EVENT == 'y' ]]; then
   args="${args} --event "
 fi
 
-# Run regression and unit tests
-pytest --cov=openmc -v $args tests
+# Run unit tests and then regression tests
+pytest --cov=openmc -v $args tests/unit_tests tests/regression_tests

From eaed4009873e6dc28e0aa0794209be2857552163 Mon Sep 17 00:00:00 2001
From: GuySten <62616591+GuySten@users.noreply.github.com>
Date: Wed, 3 Sep 2025 05:52:27 +0200
Subject: [PATCH 2385/2654] Fixed a bug in plotting cross sections with S(a,b)
 data (#3558)

---
 openmc/plotter.py | 16 ++++++++--------
 1 file changed, 8 insertions(+), 8 deletions(-)

diff --git a/openmc/plotter.py b/openmc/plotter.py
index 85c4963a7..693cdaca4 100644
--- a/openmc/plotter.py
+++ b/openmc/plotter.py
@@ -413,7 +413,8 @@ def _calculate_cexs_nuclide(this, types, temperature=294., sab_name=None,
 
         # Prep S(a,b) data if needed
         if sab_name:
-            sab = openmc.data.ThermalScattering.from_hdf5(sab_name)
+            sab = openmc.data.ThermalScattering.from_hdf5(
+                library.get_by_material(sab_name, data_type='thermal')['path'])
             # Obtain the nearest temperature
             if strT in sab.temperatures:
                 sabT = strT
@@ -640,14 +641,13 @@ def _calculate_cexs_elem_mat(this, types, temperature=294.,
             sab = openmc.data.ThermalScattering.from_hdf5(
                 library.get_by_material(sab_name, data_type='thermal')['path'])
             for nuc in sab.nuclides:
-                sabs[nuc] = library.get_by_material(sab_name,
-                        data_type='thermal')['path']
+                sabs[nuc] = sab_name
     else:
         if sab_name:
-            sab = openmc.data.ThermalScattering.from_hdf5(sab_name)
+            sab = openmc.data.ThermalScattering.from_hdf5(
+                library.get_by_material(sab_name, data_type='thermal')['path'])
             for nuc in sab.nuclides:
-                sabs[nuc] = library.get_by_material(sab_name,
-                        data_type='thermal')['path']
+                sabs[nuc] = sab_name
 
     # Now we can create the data sets to be plotted
     xs = {}
@@ -655,8 +655,8 @@ def _calculate_cexs_elem_mat(this, types, temperature=294.,
     for nuclide in nuclides.items():
         name = nuclide[0]
         nuc = nuclide[1]
-        sab_tab = sabs[name]
-        temp_E, temp_xs = calculate_cexs(nuc, types, T, sab_tab, cross_sections,
+        sab_name = sabs[name]
+        temp_E, temp_xs = calculate_cexs(nuc, types, T, sab_name, cross_sections,
                                          ncrystal_cfg=ncrystal_cfg
                                          )
         E.append(temp_E)

From 5918564727a34ac7bb071ceafe1a7bf4d50542d7 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 3 Sep 2025 11:35:11 -0500
Subject: [PATCH 2386/2654] Bump up tolerance for flaky activation test (#3560)

---
 tests/unit_tests/test_deplete_activation.py | 5 ++---
 1 file changed, 2 insertions(+), 3 deletions(-)

diff --git a/tests/unit_tests/test_deplete_activation.py b/tests/unit_tests/test_deplete_activation.py
index 6afea8c9f..cbe00d680 100644
--- a/tests/unit_tests/test_deplete_activation.py
+++ b/tests/unit_tests/test_deplete_activation.py
@@ -45,7 +45,7 @@ ENERGIES = np.logspace(log10(1e-5), log10(2e7), 100)
 
 @pytest.mark.parametrize("reaction_rate_mode,reaction_rate_opts,tolerance", [
     ("direct", {}, 1e-5),
-    ("flux", {'energies': ENERGIES}, 0.01),
+    ("flux", {'energies': ENERGIES}, 0.1),
     ("flux", {'energies': ENERGIES, 'reactions': ['(n,gamma)']}, 1e-5),
     ("flux", {'energies': ENERGIES, 'reactions': ['(n,gamma)'], 'nuclides': ['W186', 'H3']}, 1e-2),
 ])
@@ -61,11 +61,10 @@ def test_activation(run_in_tmpdir, model, reaction_rate_mode, reaction_rate_opts
     w186 = openmc.deplete.Nuclide('W186')
     w186.add_reaction('(n,gamma)', None, 0.0, 1.0)
     chain.add_nuclide(w186)
-    chain.export_to_xml('test_chain.xml')
 
     # Create transport operator
     op = openmc.deplete.CoupledOperator(
-        model, 'test_chain.xml',
+        model, chain,
         normalization_mode="source-rate",
         reaction_rate_mode=reaction_rate_mode,
         reaction_rate_opts=reaction_rate_opts,

From 366509051381db89a3a6a7b3346e3b339e8af0af Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 5 Sep 2025 06:34:49 -0500
Subject: [PATCH 2387/2654] Do not apply boundary conditions when initialized
 in volume calculation mode (#3562)

---
 src/particle.cpp              |  3 ++-
 tests/unit_tests/test_mesh.py | 27 +++++++++++++++++++++++++++
 2 files changed, 29 insertions(+), 1 deletion(-)

diff --git a/src/particle.cpp b/src/particle.cpp
index fb41d82e9..fd4df14c3 100644
--- a/src/particle.cpp
+++ b/src/particle.cpp
@@ -544,7 +544,8 @@ void Particle::cross_surface(const Surface& surf)
 #endif
 
   // Handle any applicable boundary conditions.
-  if (surf.bc_ && settings::run_mode != RunMode::PLOTTING) {
+  if (surf.bc_ && settings::run_mode != RunMode::PLOTTING &&
+      settings::run_mode != RunMode::VOLUME) {
     surf.bc_->handle_particle(*this, surf);
     return;
   }
diff --git a/tests/unit_tests/test_mesh.py b/tests/unit_tests/test_mesh.py
index 67ca4028e..1930e3264 100644
--- a/tests/unit_tests/test_mesh.py
+++ b/tests/unit_tests/test_mesh.py
@@ -620,6 +620,33 @@ def test_mesh_material_volumes_serialize():
     assert new_volumes.by_element(3) == [(2, 1.0)]
 
 
+def test_mesh_material_volumes_boundary_conditions(sphere_model):
+    """Test the material volumes method using a regular mesh
+    that overlaps with a vacuum boundary condition."""
+
+    mesh = openmc.SphericalMesh.from_domain(sphere_model.geometry, dimension=(1, 1, 1))
+    # extend mesh beyond the outer sphere surface to test rays crossing the boundary condition
+    mesh.r_grid[-1] += 5.0
+
+    # add a new cell to the modelthat occupies the outside of the sphere
+    sphere_surfaces = list(filter(lambda s: isinstance(s, openmc.Sphere),
+                            sphere_model.geometry.get_all_surfaces().values()))
+    outer_cell = openmc.Cell(region=+sphere_surfaces[0])
+    sphere_model.geometry.root_universe.add_cell(outer_cell)
+
+    volumes = mesh.material_volumes(sphere_model, (0, 100, 100))
+    sphere_volume = 4/3*np.pi*25**3
+    mats = sphere_model.materials
+    expected_volumes = [(mats[0].id, 0.25*sphere_volume),
+                        (mats[1].id, 0.25*sphere_volume),
+                        (mats[2].id, 0.5*sphere_volume),
+                        (None, 4/3*np.pi*mesh.r_grid[-1]**3 - sphere_volume)]
+
+    for evaluated, expected in zip(volumes.by_element(0), expected_volumes):
+        assert evaluated[0] == expected[0]
+        assert evaluated[1] == pytest.approx(expected[1], rel=1e-2)
+
+
 def test_raytrace_mesh_infinite_loop(run_in_tmpdir):
     # Create a model with one large spherical cell
     sphere = openmc.Sphere(r=100, boundary_type='vacuum')

From ca4295748d1b547ea3e5d9c8fb1ec55b64809289 Mon Sep 17 00:00:00 2001
From: Robert Carlsen <r@typical.place>
Date: Wed, 10 Sep 2025 20:13:28 -0600
Subject: [PATCH 2388/2654] depletion: fix performance of chain matrix
 construction (#3567)

Co-authored-by: GuySten <62616591+GuySten@users.noreply.github.com>
---
 openmc/deplete/chain.py | 28 +++++++++++++++++-----------
 1 file changed, 17 insertions(+), 11 deletions(-)

diff --git a/openmc/deplete/chain.py b/openmc/deplete/chain.py
index f1a23317f..ac5c02aa5 100644
--- a/openmc/deplete/chain.py
+++ b/openmc/deplete/chain.py
@@ -627,9 +627,15 @@ class Chain:
         """
         reactions = set()
 
-        # Use DOK matrix as intermediate representation for matrix
         n = len(self)
-        matrix = sp.dok_matrix((n, n))
+
+        # we accumulate indices and value entries for everything and create the matrix 
+        # in one step at the end to avoid expensive index checks scipy otherwise does.
+        rows, cols, vals = [], [], []
+        def setval(i, j, val):
+            rows.append(i)
+            cols.append(j)
+            vals.append(val)
 
         if fission_yields is None:
             fission_yields = self.get_default_fission_yields()
@@ -639,7 +645,7 @@ class Chain:
             if nuc.half_life is not None:
                 decay_constant = math.log(2) / nuc.half_life
                 if decay_constant != 0.0:
-                    matrix[i, i] -= decay_constant
+                    setval(i, i, -decay_constant)
 
             # Gain from radioactive decay
             if nuc.n_decay_modes != 0:
@@ -650,19 +656,19 @@ class Chain:
                     if branch_val != 0.0:
                         if target is not None:
                             k = self.nuclide_dict[target]
-                            matrix[k, i] += branch_val
+                            setval(k, i, branch_val)
 
                         # Produce alphas and protons from decay
                         if 'alpha' in decay_type:
                             k = self.nuclide_dict.get('He4')
                             if k is not None:
                                 count = decay_type.count('alpha')
-                                matrix[k, i] += count * branch_val
+                                setval(k, i, count * branch_val)
                         elif 'p' in decay_type:
                             k = self.nuclide_dict.get('H1')
                             if k is not None:
                                 count = decay_type.count('p')
-                                matrix[k, i] += count * branch_val
+                                setval(k, i, count * branch_val)
 
             if nuc.name in rates.index_nuc:
                 # Extract all reactions for this nuclide in this cell
@@ -679,13 +685,13 @@ class Chain:
                     if r_type not in reactions:
                         reactions.add(r_type)
                         if path_rate != 0.0:
-                            matrix[i, i] -= path_rate
+                            setval(i, i, -path_rate)
 
                     # Gain term; allow for total annihilation for debug purposes
                     if r_type != 'fission':
                         if target is not None and path_rate != 0.0:
                             k = self.nuclide_dict[target]
-                            matrix[k, i] += path_rate * br
+                            setval(k, i, path_rate * br)
 
                         # Determine light nuclide production, e.g., (n,d) should
                         # produce H2
@@ -693,20 +699,20 @@ class Chain:
                         for light_nuc in light_nucs:
                             k = self.nuclide_dict.get(light_nuc)
                             if k is not None:
-                                matrix[k, i] += path_rate * br
+                                setval(k, i, path_rate * br)
 
                     else:
                         for product, y in fission_yields[nuc.name].items():
                             yield_val = y * path_rate
                             if yield_val != 0.0:
                                 k = self.nuclide_dict[product]
-                                matrix[k, i] += yield_val
+                                setval(k, i, yield_val)
 
                 # Clear set of reactions
                 reactions.clear()
 
         # Return CSC representation instead of DOK
-        return matrix.tocsc()
+        return sp.csc_matrix((vals, (rows, cols)), shape=(n, n))
 
     def form_rr_term(self, tr_rates, current_timestep, mats):
         """Function to form the transfer rate term matrices.

From c7175289eb0f801b38b7b684a5ddd4803261f66a Mon Sep 17 00:00:00 2001
From: Jack Fletcher <115663563+j-fletcher@users.noreply.github.com>
Date: Thu, 11 Sep 2025 08:57:02 -0400
Subject: [PATCH 2389/2654] PowerLaw raises an error if sampling interval
 contains negative values (#3542)

---
 openmc/stats/univariate.py | 9 +++++++++
 1 file changed, 9 insertions(+)

diff --git a/openmc/stats/univariate.py b/openmc/stats/univariate.py
index 28d5e87ef..d6cf19f2b 100644
--- a/openmc/stats/univariate.py
+++ b/openmc/stats/univariate.py
@@ -480,6 +480,9 @@ class PowerLaw(Univariate):
     """
 
     def __init__(self, a: float = 0.0, b: float = 1.0, n: float = 0.):
+        if a >= b:
+            raise ValueError(
+                "Lower bound of sampling interval must be less than upper bound.")
         self.a = a
         self.b = b
         self.n = n
@@ -494,6 +497,9 @@ class PowerLaw(Univariate):
     @a.setter
     def a(self, a):
         cv.check_type('interval lower bound', a, Real)
+        if a < 0:
+            raise ValueError(
+                "PowerLaw sampling is restricted to positive-valued intervals.")
         self._a = a
 
     @property
@@ -503,6 +509,9 @@ class PowerLaw(Univariate):
     @b.setter
     def b(self, b):
         cv.check_type('interval upper bound', b, Real)
+        if b < 0:
+            raise ValueError(
+                "PowerLaw sampling is restricted to positive-valued intervals.")
         self._b = b
 
     @property

From afd9d0607445f00c6de97b1ff866521c319722b0 Mon Sep 17 00:00:00 2001
From: GuySten <62616591+GuySten@users.noreply.github.com>
Date: Fri, 12 Sep 2025 22:23:17 +0200
Subject: [PATCH 2390/2654] Fixed a bug when combining TimeFilter, MeshFilter,
 and tracklength estimator (#3525)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 include/openmc/tallies/tally.h         | 10 ++++
 include/openmc/tallies/tally_scoring.h | 10 ++++
 src/particle.cpp                       |  5 ++
 src/tallies/tally.cpp                  | 80 ++++++++++++++++++++-----
 src/tallies/tally_scoring.cpp          | 59 ++++++++++++++++--
 tests/unit_tests/test_mesh.py          | 83 +++++++++++++++++++++++++-
 6 files changed, 227 insertions(+), 20 deletions(-)

diff --git a/include/openmc/tallies/tally.h b/include/openmc/tallies/tally.h
index 8c088c460..3beeb9d5a 100644
--- a/include/openmc/tallies/tally.h
+++ b/include/openmc/tallies/tally.h
@@ -203,11 +203,14 @@ extern vector<unique_ptr<Tally>> tallies;
 extern vector<int> active_tallies;
 extern vector<int> active_analog_tallies;
 extern vector<int> active_tracklength_tallies;
+extern vector<int> active_timed_tracklength_tallies;
 extern vector<int> active_collision_tallies;
 extern vector<int> active_meshsurf_tallies;
 extern vector<int> active_surface_tallies;
 extern vector<int> active_pulse_height_tallies;
 extern vector<int> pulse_height_cells;
+extern vector<double> time_grid;
+
 } // namespace model
 
 namespace simulation {
@@ -239,6 +242,13 @@ void read_tallies_xml(pugi::xml_node root);
 //! batch to a new random variable
 void accumulate_tallies();
 
+//! Determine distance to next time boundary
+//
+//! \param time Current time of particle
+//! \param speed Speed of particle
+//! \return Distance to next time boundary (or INFTY if none)
+double distance_to_time_boundary(double time, double speed);
+
 //! Determine which tallies should be active
 void setup_active_tallies();
 
diff --git a/include/openmc/tallies/tally_scoring.h b/include/openmc/tallies/tally_scoring.h
index 28f1f1622..c3ab779e6 100644
--- a/include/openmc/tallies/tally_scoring.h
+++ b/include/openmc/tallies/tally_scoring.h
@@ -91,6 +91,16 @@ void score_analog_tally_mg(Particle& p);
 //! \param distance The distance in [cm] traveled by the particle
 void score_tracklength_tally(Particle& p, double distance);
 
+//! Score time filtered tallies using a tracklength estimate of the flux.
+//
+//! This is triggered at every event (surface crossing, lattice crossing, or
+//! collision) and thus cannot be done for tallies that require post-collision
+//! information.
+//
+//! \param p The particle being tracked
+//! \param total_distance The distance in [cm] traveled by the particle
+void score_timed_tracklength_tally(Particle& p, double total_distance);
+
 //! Score surface or mesh-surface tallies for particle currents.
 //
 //! \param p The particle being tracked
diff --git a/src/particle.cpp b/src/particle.cpp
index fd4df14c3..f25ada02c 100644
--- a/src/particle.cpp
+++ b/src/particle.cpp
@@ -252,6 +252,11 @@ void Particle::event_advance()
   this->time() += dt;
   this->lifetime() += dt;
 
+  // Score timed track-length tallies
+  if (!model::active_timed_tracklength_tallies.empty()) {
+    score_timed_tracklength_tally(*this, distance);
+  }
+
   // Score track-length tallies
   if (!model::active_tracklength_tallies.empty()) {
     score_tracklength_tally(*this, distance);
diff --git a/src/tallies/tally.cpp b/src/tallies/tally.cpp
index ba1838602..ae0bffe6e 100644
--- a/src/tallies/tally.cpp
+++ b/src/tallies/tally.cpp
@@ -27,10 +27,12 @@
 #include "openmc/tallies/filter_legendre.h"
 #include "openmc/tallies/filter_mesh.h"
 #include "openmc/tallies/filter_meshborn.h"
+#include "openmc/tallies/filter_meshmaterial.h"
 #include "openmc/tallies/filter_meshsurface.h"
 #include "openmc/tallies/filter_particle.h"
 #include "openmc/tallies/filter_sph_harm.h"
 #include "openmc/tallies/filter_surface.h"
+#include "openmc/tallies/filter_time.h"
 #include "openmc/xml_interface.h"
 
 #include "xtensor/xadapt.hpp"
@@ -38,9 +40,10 @@
 #include "xtensor/xview.hpp"
 #include <fmt/core.h>
 
-#include <algorithm> // for max
+#include <algorithm> // for max, set_union
 #include <cassert>
-#include <cstddef> // for size_t
+#include <cstddef>  // for size_t
+#include <iterator> // for back_inserter
 #include <string>
 
 namespace openmc {
@@ -56,11 +59,13 @@ vector<unique_ptr<Tally>> tallies;
 vector<int> active_tallies;
 vector<int> active_analog_tallies;
 vector<int> active_tracklength_tallies;
+vector<int> active_timed_tracklength_tallies;
 vector<int> active_collision_tallies;
 vector<int> active_meshsurf_tallies;
 vector<int> active_surface_tallies;
 vector<int> active_pulse_height_tallies;
 vector<int> pulse_height_cells;
+vector<double> time_grid;
 } // namespace model
 
 namespace simulation {
@@ -243,8 +248,8 @@ Tally::Tally(pugi::xml_node node)
     for (int score : scores_) {
       switch (score) {
       case SCORE_PULSE_HEIGHT:
-        fatal_error(
-          "For pulse-height tallies, photon transport needs to be activated.");
+        fatal_error("For pulse-height tallies, photon transport needs to be "
+                    "activated.");
         break;
       }
     }
@@ -318,7 +323,8 @@ Tally::Tally(pugi::xml_node node)
         if (has_energyout && i_nuc == -1) {
           fatal_error(fmt::format(
             "Error on tally {}: Cannot use a "
-            "'nuclide_density' or 'temperature' derivative on a tally with an "
+            "'nuclide_density' or 'temperature' derivative on a tally with "
+            "an "
             "outgoing energy filter and 'total' nuclide rate. Instead, tally "
             "each nuclide in the material individually.",
             id_));
@@ -493,9 +499,9 @@ void Tally::add_filter(Filter* filter)
 
 void Tally::set_strides()
 {
-  // Set the strides.  Filters are traversed in reverse so that the last filter
-  // has the shortest stride in memory and the first filter has the longest
-  // stride.
+  // Set the strides.  Filters are traversed in reverse so that the last
+  // filter has the shortest stride in memory and the first filter has the
+  // longest stride.
   auto n = filters_.size();
   strides_.resize(n, 0);
   int stride = 1;
@@ -551,7 +557,8 @@ void Tally::set_scores(const vector<std::string>& scores)
 
   // Iterate over the given scores.
   for (auto score_str : scores) {
-    // Make sure a delayed group filter wasn't used with an incompatible score.
+    // Make sure a delayed group filter wasn't used with an incompatible
+    // score.
     if (delayedgroup_filter_ != C_NONE) {
       if (score_str != "delayed-nu-fission" && score_str != "decay-rate")
         fatal_error("Cannot tally " + score_str + "with a delayedgroup filter");
@@ -984,8 +991,8 @@ void reduce_tally_results()
     }
   }
 
-  // Note that global tallies are *always* reduced even when no_reduce option is
-  // on.
+  // Note that global tallies are *always* reduced even when no_reduce option
+  // is on.
 
   // Get view of global tally values
   auto& gt = simulation::global_tallies;
@@ -1064,21 +1071,59 @@ void accumulate_tallies()
   }
 }
 
+double distance_to_time_boundary(double time, double speed)
+{
+  if (model::time_grid.empty()) {
+    return INFTY;
+  } else if (time >= model::time_grid.back()) {
+    return INFTY;
+  } else {
+    double next_time =
+      *std::upper_bound(model::time_grid.begin(), model::time_grid.end(), time);
+    return (next_time - time) * speed;
+  }
+}
+
+//! Add new points to the global time grid
+//
+//! \param grid Vector of new time points to add
+void add_to_time_grid(vector<double> grid)
+{
+  if (grid.empty())
+    return;
+
+  // Create new vector with enough space to hold old and new grid points
+  vector<double> merged;
+  merged.reserve(model::time_grid.size() + grid.size());
+
+  // Merge and remove duplicates
+  std::set_union(model::time_grid.begin(), model::time_grid.end(), grid.begin(),
+    grid.end(), std::back_inserter(merged));
+
+  // Swap in the new grid
+  model::time_grid.swap(merged);
+}
+
 void setup_active_tallies()
 {
   model::active_tallies.clear();
   model::active_analog_tallies.clear();
   model::active_tracklength_tallies.clear();
+  model::active_timed_tracklength_tallies.clear();
   model::active_collision_tallies.clear();
   model::active_meshsurf_tallies.clear();
   model::active_surface_tallies.clear();
   model::active_pulse_height_tallies.clear();
+  model::time_grid.clear();
 
   for (auto i = 0; i < model::tallies.size(); ++i) {
     const auto& tally {*model::tallies[i]};
 
     if (tally.active_) {
       model::active_tallies.push_back(i);
+      bool mesh_present = (tally.get_filter<MeshFilter>() ||
+                           tally.get_filter<MeshMaterialFilter>());
+      auto time_filter = tally.get_filter<TimeFilter>();
       switch (tally.type_) {
 
       case TallyType::VOLUME:
@@ -1087,7 +1132,12 @@ void setup_active_tallies()
           model::active_analog_tallies.push_back(i);
           break;
         case TallyEstimator::TRACKLENGTH:
-          model::active_tracklength_tallies.push_back(i);
+          if (time_filter && mesh_present) {
+            model::active_timed_tracklength_tallies.push_back(i);
+            add_to_time_grid(time_filter->bins());
+          } else {
+            model::active_tracklength_tallies.push_back(i);
+          }
           break;
         case TallyEstimator::COLLISION:
           model::active_collision_tallies.push_back(i);
@@ -1123,10 +1173,12 @@ void free_memory_tally()
   model::active_tallies.clear();
   model::active_analog_tallies.clear();
   model::active_tracklength_tallies.clear();
+  model::active_timed_tracklength_tallies.clear();
   model::active_collision_tallies.clear();
   model::active_meshsurf_tallies.clear();
   model::active_surface_tallies.clear();
   model::active_pulse_height_tallies.clear();
+  model::time_grid.clear();
 
   model::tally_map.clear();
 }
@@ -1465,8 +1517,8 @@ extern "C" int openmc_tally_get_n_realizations(int32_t index, int32_t* n)
   return 0;
 }
 
-//! \brief Returns a pointer to a tally results array along with its shape. This
-//! allows a user to obtain in-memory tally results from Python directly.
+//! \brief Returns a pointer to a tally results array along with its shape.
+//! This allows a user to obtain in-memory tally results from Python directly.
 extern "C" int openmc_tally_results(
   int32_t index, double** results, size_t* shape)
 {
diff --git a/src/tallies/tally_scoring.cpp b/src/tallies/tally_scoring.cpp
index e73fb90f3..04b047b64 100644
--- a/src/tallies/tally_scoring.cpp
+++ b/src/tallies/tally_scoring.cpp
@@ -2404,15 +2404,13 @@ void score_analog_tally_mg(Particle& p)
     match.bins_present_ = false;
 }
 
-void score_tracklength_tally(Particle& p, double distance)
+void score_tracklength_tally_general(
+  Particle& p, double flux, const vector<int>& tallies)
 {
-  // Determine the tracklength estimate of the flux
-  double flux = p.wgt() * distance;
-
   // Set 'none' value for log union grid index
   int i_log_union = C_NONE;
 
-  for (auto i_tally : model::active_tracklength_tallies) {
+  for (auto i_tally : tallies) {
     const Tally& tally {*model::tallies[i_tally]};
 
     // Initialize an iterator over valid filter bin combinations.  If there are
@@ -2481,6 +2479,57 @@ void score_tracklength_tally(Particle& p, double distance)
     match.bins_present_ = false;
 }
 
+void score_timed_tracklength_tally(Particle& p, double total_distance)
+{
+  double speed = p.speed();
+  double total_dt = total_distance / speed;
+
+  // save particle last state
+  auto time_last = p.time_last();
+  auto r_last = p.r_last();
+
+  // move particle back
+  p.move_distance(-total_distance);
+  p.time() -= total_dt;
+  p.lifetime() -= total_dt;
+
+  double distance_traveled = 0.0;
+  while (distance_traveled < total_distance) {
+
+    double distance = std::min(distance_to_time_boundary(p.time(), speed),
+      total_distance - distance_traveled);
+    double dt = distance / speed;
+
+    // Save particle last state for tracklength tallies
+    p.time_last() = p.time();
+    p.r_last() = p.r();
+
+    // Advance particle in space and time
+    p.move_distance(distance);
+    p.time() += dt;
+    p.lifetime() += dt;
+
+    // Determine the tracklength estimate of the flux
+    double flux = p.wgt() * distance;
+
+    score_tracklength_tally_general(
+      p, flux, model::active_timed_tracklength_tallies);
+    distance_traveled += distance;
+  }
+
+  p.time_last() = time_last;
+  p.r_last() = r_last;
+}
+
+void score_tracklength_tally(Particle& p, double distance)
+{
+
+  // Determine the tracklength estimate of the flux
+  double flux = p.wgt() * distance;
+
+  score_tracklength_tally_general(p, flux, model::active_tracklength_tallies);
+}
+
 void score_collision_tally(Particle& p)
 {
   // Determine the collision estimate of the flux
diff --git a/tests/unit_tests/test_mesh.py b/tests/unit_tests/test_mesh.py
index 1930e3264..f0f289408 100644
--- a/tests/unit_tests/test_mesh.py
+++ b/tests/unit_tests/test_mesh.py
@@ -3,10 +3,12 @@ from tempfile import TemporaryDirectory
 from pathlib import Path
 
 import numpy as np
+from scipy.stats import chi2
 import pytest
 import openmc
 import openmc.lib
 from openmc.utility_funcs import change_directory
+from uncertainties.unumpy import uarray, nominal_values, std_devs
 
 
 @pytest.mark.parametrize("val_left,val_right", [(0, 0), (-1., -1.), (2.0, 2)])
@@ -481,7 +483,7 @@ def test_umesh(run_in_tmpdir, simple_umesh, export_type):
     np.testing.assert_almost_equal(mean, ref_data)
 
     # attempt to apply a dataset with an improper size to a VTK write
-    with pytest.raises(ValueError, match='Cannot apply dataset "mean"') as e:
+    with pytest.raises(ValueError, match='Cannot apply dataset "mean"'):
         simple_umesh.write_data_to_vtk(datasets={'mean': ref_data[:-2]}, filename=filename)
 
 def test_mesh_get_homogenized_materials():
@@ -678,3 +680,82 @@ def test_raytrace_mesh_infinite_loop(run_in_tmpdir):
 
     # Run the model; this should not cause an infinite loop
     model.run()
+
+
+def test_filter_time_mesh(run_in_tmpdir):
+    """Test combination of TimeFilter and MeshFilter"""
+
+    # Define material
+    mat = openmc.Material()
+    mat.add_nuclide('Fe56', 1.0)
+    mat.set_density('g/cm3', 7.8)
+
+    # Define geometry
+    surf_Z1 = openmc.XPlane(x0=-1e10, boundary_type="reflective")
+    surf_Z2 = openmc.XPlane(x0=1e10, boundary_type="reflective")
+    cell_F = openmc.Cell(fill=mat, region=+surf_Z1 & -surf_Z2)
+    model = openmc.Model()
+    model.geometry = openmc.Geometry([cell_F])
+
+    # Define settings
+    model.settings.run_mode = "fixed source"
+    model.settings.particles = 1000
+    model.settings.batches = 20
+    model.settings.output = {"tallies": False}
+    model.settings.cutoff = {"time_neutron": 1e-7}
+
+    # Define tallies
+
+    # Create a mesh filter that can be used in a tally
+    mesh = openmc.RegularMesh()
+    mesh.dimension = (21, 1, 1)
+    mesh.lower_left = (-20.5, -1e10, -1e10)
+    mesh.upper_right = (20.5, 1e10, 1e10)
+    time_grid = np.linspace(0.0, 1e-7, 21)
+
+    mesh_filter = openmc.MeshFilter(mesh)
+    time_filter = openmc.TimeFilter(time_grid)
+
+    # Now use the mesh filter in a tally and indicate what scores are desired
+    tally1 = openmc.Tally(name="collision")
+    tally1.estimator = "collision"
+    tally1.filters = [time_filter, mesh_filter]
+    tally1.scores = ["flux"]
+    tally2 = openmc.Tally(name="tracklength")
+    tally2.estimator = "tracklength"
+    tally2.filters = [time_filter, mesh_filter]
+    tally2.scores = ["flux"]
+    model.tallies = openmc.Tallies([tally1, tally2])
+
+    # Run and post-process
+    model.run(apply_tally_results=True)
+
+    # Get radial flux distribution
+    flux_collision = tally1.mean.ravel()
+    flux_collision_unc = tally1.std_dev.ravel()
+    flux_tracklength = tally2.mean.ravel()
+    flux_tracklength_unc = tally2.std_dev.ravel()
+
+    # Construct arrays with uncertainties
+    collision = uarray(flux_collision, flux_collision_unc)
+    tracklength = uarray(flux_tracklength, flux_tracklength_unc)
+    delta = collision - tracklength
+
+    # Compute differences and standard deviations
+    diff = nominal_values(delta)
+    std_dev = std_devs(delta)
+
+    # Exclude zero-uncertainty bins
+    mask = std_dev > 0.0
+    dof = int(np.sum(mask))
+
+    # Global chi-square consistency test between collision and tracklength
+    # estimators. Target false positive rate ~1e-4 (1 in 10,000)
+    z = diff[mask] / std_dev[mask]
+    chi2_stat = np.sum(z * z)
+    alpha = 1.0e-4
+    crit = chi2.ppf(1 - alpha, dof)
+    assert chi2_stat < crit, (
+        f"Collision vs tracklength tallies disagree: chi2={chi2_stat:.2f} "
+        f">= {crit=:.2f} ({dof=}, {alpha=})"
+    )

From 607f6babe5c7fc1a441082fb355e7f30f182e72d Mon Sep 17 00:00:00 2001
From: Kevin Sawatzky <66632997+nuclearkevin@users.noreply.github.com>
Date: Thu, 18 Sep 2025 23:11:06 -0500
Subject: [PATCH 2391/2654] Add distributed cell densities (#3546)

Co-authored-by: Patrick Shriwise <pshriwise@gmail.com>
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 docs/source/capi/index.rst                    |  29 ++-
 docs/source/io_formats/properties.rst         |   3 +-
 docs/source/io_formats/summary.rst            |   3 +-
 include/openmc/capi.h                         |   4 +
 include/openmc/cell.h                         |  25 +++
 include/openmc/constants.h                    |   4 +-
 include/openmc/geometry_aux.h                 |   6 +
 include/openmc/material.h                     |   7 +
 include/openmc/particle_data.h                |   8 +
 openmc/cell.py                                |  43 ++++-
 openmc/lib/cell.py                            |  46 +++++
 openmc/model/model.py                         |  16 +-
 src/cell.cpp                                  | 178 +++++++++++++++++-
 src/geometry.cpp                              |   4 +-
 src/geometry_aux.cpp                          |  29 +++
 src/initialize.cpp                            |   9 +
 src/material.cpp                              |   4 +-
 src/mgxs.cpp                                  |   8 +-
 src/particle.cpp                              |   7 +-
 src/physics.cpp                               |   4 +-
 src/tallies/tally_scoring.cpp                 |  33 ++--
 tests/regression_tests/cpp_driver/driver.cpp  |  18 +-
 .../cpp_driver/results_true.dat               |  22 +--
 .../regression_tests/dagmc/external/main.cpp  |   3 +
 .../lattice_distribrho/__init__.py            |   0
 .../lattice_distribrho/inputs_true.dat        |  40 ++++
 .../lattice_distribrho/results_true.dat       |   2 +
 .../lattice_distribrho/test.py                |  51 +++++
 .../multipole/results_true.dat                |   1 +
 tests/unit_tests/test_cell.py                 |  23 +++
 tests/unit_tests/test_lib.py                  |  23 +++
 tests/unit_tests/test_model.py                |   6 +-
 32 files changed, 607 insertions(+), 52 deletions(-)
 create mode 100644 tests/regression_tests/lattice_distribrho/__init__.py
 create mode 100644 tests/regression_tests/lattice_distribrho/inputs_true.dat
 create mode 100644 tests/regression_tests/lattice_distribrho/results_true.dat
 create mode 100644 tests/regression_tests/lattice_distribrho/test.py

diff --git a/docs/source/capi/index.rst b/docs/source/capi/index.rst
index d9ac0d1e0..2583d51df 100644
--- a/docs/source/capi/index.rst
+++ b/docs/source/capi/index.rst
@@ -84,6 +84,17 @@ Functions
    :return: Return status (negative if an error occurred)
    :rtype: int
 
+.. c:function:: int openmc_cell_get_density(int32_t index, const int32_t* instance, double* density)
+
+   Get the density of a cell
+
+   :param int32_t index: Index in the cells array
+   :param int32_t* instance: Which instance of the cell. If a null pointer is passed, the density
+                             multiplier of the first instance is returned.
+   :param double* density: Density of the cell in [g/cm3]
+   :return: Return status (negative if an error occurred)
+   :rtype: int
+
 .. c:function:: int openmc_cell_set_fill(int32_t index, int type, int32_t n, const int32_t* indices)
 
    Set the fill for a cell
@@ -113,8 +124,22 @@ Functions
    :param double T: Temperature in Kelvin
    :param instance: Which instance of the cell. To set the temperature for all
                     instances, pass a null pointer.
-   :param set_contained: If the cell is not filled by a material, whether to set the temperatures
-                         of all filled cells
+   :param bool set_contained: If the cell is not filled by a material, whether
+                              to set the temperatures of all filled cells
+   :type instance: const int32_t*
+   :return: Return status (negative if an error occurred)
+   :rtype: int
+
+.. c:function:: int openmc_cell_set_density(index index, double density, const int32_t* instance, bool set_contained)
+
+   Set the density of a cell.
+
+   :param int32_t index: Index in the cells array
+   :param double density: Density of the cell in [g/cm3]
+   :param instance: Which instance of the cell. To set the density multiplier for all
+                    instances, pass a null pointer.
+   :param bool set_contained: If the cell is not filled by a material, whether
+                              to set the density multiplier of all filled cells
    :type instance: const int32_t*
    :return: Return status (negative if an error occurred)
    :rtype: int
diff --git a/docs/source/io_formats/properties.rst b/docs/source/io_formats/properties.rst
index 5030e78f3..4cc5da379 100644
--- a/docs/source/io_formats/properties.rst
+++ b/docs/source/io_formats/properties.rst
@@ -4,7 +4,7 @@
 Properties File Format
 ======================
 
-The current version of the properties file format is 1.0.
+The current version of the properties file format is 1.1.
 
 **/**
 
@@ -25,6 +25,7 @@ The current version of the properties file format is 1.0.
 **/geometry/cells/cell <uid>/**
 
 :Datasets: - **temperature** (*double[]*) -- Temperature of the cell in [K].
+           - **density** (*double[]*) -- Density of the cell in [g/cm3].
 
 **/materials/**
 
diff --git a/docs/source/io_formats/summary.rst b/docs/source/io_formats/summary.rst
index 7d3ab94d9..64ca68b9c 100644
--- a/docs/source/io_formats/summary.rst
+++ b/docs/source/io_formats/summary.rst
@@ -4,7 +4,7 @@
 Summary File Format
 ===================
 
-The current version of the summary file format is 6.0.
+The current version of the summary file format is 6.1.
 
 **/**
 
@@ -38,6 +38,7 @@ The current version of the summary file format is 6.0.
              is an array if the cell uses distributed materials, otherwise it is
              a scalar.
            - **temperature** (*double[]*) -- Temperature of the cell in Kelvin.
+           - **density** (*double[]*) -- Density of the cell in [g/cm3].
            - **translation** (*double[3]*) -- Translation applied to the fill
              universe. This dataset is present only if fill_type is set to
              'universe'.
diff --git a/include/openmc/capi.h b/include/openmc/capi.h
index 54257d093..d8041ef41 100644
--- a/include/openmc/capi.h
+++ b/include/openmc/capi.h
@@ -17,6 +17,8 @@ int openmc_cell_get_fill(
 int openmc_cell_get_id(int32_t index, int32_t* id);
 int openmc_cell_get_temperature(
   int32_t index, const int32_t* instance, double* T);
+int openmc_cell_get_density(
+  int32_t index, const int32_t* instance, double* rho);
 int openmc_cell_get_translation(int32_t index, double xyz[]);
 int openmc_cell_get_rotation(int32_t index, double rot[], size_t* n);
 int openmc_cell_get_name(int32_t index, const char** name);
@@ -27,6 +29,8 @@ int openmc_cell_set_fill(
 int openmc_cell_set_id(int32_t index, int32_t id);
 int openmc_cell_set_temperature(
   int32_t index, double T, const int32_t* instance, bool set_contained = false);
+int openmc_cell_set_density(int32_t index, double rho, const int32_t* instance,
+  bool set_contained = false);
 int openmc_cell_set_translation(int32_t index, const double xyz[]);
 int openmc_cell_set_rotation(int32_t index, const double rot[], size_t rot_len);
 int openmc_dagmc_universe_get_cell_ids(
diff --git a/include/openmc/cell.h b/include/openmc/cell.h
index e9fcfe391..9dfe2339a 100644
--- a/include/openmc/cell.h
+++ b/include/openmc/cell.h
@@ -216,6 +216,18 @@ public:
   //! \return Temperature in [K]
   double temperature(int32_t instance = -1) const;
 
+  //! Get the density multiplier of a cell instance
+  //! \param[in] instance Instance index. If -1 is given, the density multiplier
+  //! for the first instance is returned.
+  //! \return Density multiplier
+  double density_mult(int32_t instance = -1) const;
+
+  //! Get the density of a cell instance in g/cm3
+  //! \param[in] instance Instance index. If -1 is given, the density
+  //! for the first instance is returned.
+  //! \return Density in [g/cm3]
+  double density(int32_t instance = -1) const;
+
   //! Set the temperature of a cell instance
   //! \param[in] T Temperature in [K]
   //! \param[in] instance Instance index. If -1 is given, the temperature for
@@ -226,6 +238,16 @@ public:
   void set_temperature(
     double T, int32_t instance = -1, bool set_contained = false);
 
+  //! Set the density of a cell instance
+  //! \param[in] density Density [g/cm3]
+  //! \param[in] instance Instance index. If -1 is given, the density
+  //!   for all instances is set.
+  //! \param[in] set_contained If this cell is not filled with a material,
+  //!   collect all contained cells with material fills and set their
+  //!   densities.
+  void set_density(
+    double density, int32_t instance = -1, bool set_contained = false);
+
   int32_t n_instances() const;
 
   //! Set the rotation matrix of a cell instance
@@ -334,6 +356,9 @@ public:
   //! T. The units are sqrt(eV).
   vector<double> sqrtkT_;
 
+  //! \brief Unitless density multiplier(s) within this cell.
+  vector<double> density_mult_;
+
   //! \brief Neighboring cells in the same universe.
   NeighborList neighbors_;
 
diff --git a/include/openmc/constants.h b/include/openmc/constants.h
index ae7056079..df13da370 100644
--- a/include/openmc/constants.h
+++ b/include/openmc/constants.h
@@ -28,11 +28,11 @@ constexpr int HDF5_VERSION[] {3, 0};
 constexpr array<int, 2> VERSION_STATEPOINT {18, 1};
 constexpr array<int, 2> VERSION_PARTICLE_RESTART {2, 0};
 constexpr array<int, 2> VERSION_TRACK {3, 0};
-constexpr array<int, 2> VERSION_SUMMARY {6, 0};
+constexpr array<int, 2> VERSION_SUMMARY {6, 1};
 constexpr array<int, 2> VERSION_VOLUME {1, 0};
 constexpr array<int, 2> VERSION_VOXEL {2, 0};
 constexpr array<int, 2> VERSION_MGXS_LIBRARY {1, 0};
-constexpr array<int, 2> VERSION_PROPERTIES {1, 0};
+constexpr array<int, 2> VERSION_PROPERTIES {1, 1};
 constexpr array<int, 2> VERSION_WEIGHT_WINDOWS {1, 0};
 
 // ============================================================================
diff --git a/include/openmc/geometry_aux.h b/include/openmc/geometry_aux.h
index f60f2d649..4dafdea5c 100644
--- a/include/openmc/geometry_aux.h
+++ b/include/openmc/geometry_aux.h
@@ -37,6 +37,12 @@ void adjust_indices();
 
 void assign_temperatures();
 
+//==============================================================================
+//! Finalize densities (compute density multipliers).
+//==============================================================================
+
+void finalize_cell_densities();
+
 //==============================================================================
 //! \brief Obtain a list of temperatures that each nuclide/thermal scattering
 //! table appears at in the model. Later, this list is used to determine the
diff --git a/include/openmc/material.h b/include/openmc/material.h
index fe587a86f..e36946c71 100644
--- a/include/openmc/material.h
+++ b/include/openmc/material.h
@@ -99,6 +99,13 @@ public:
   //----------------------------------------------------------------------------
   // Accessors
 
+  //! Get the atom density in [atom/b-cm]
+  //! \return Density in [atom/b-cm]
+  double atom_density(int32_t i, double rho_multiplier = 1.0) const
+  {
+    return atom_density_(i) * rho_multiplier;
+  }
+
   //! Get density in [atom/b-cm]
   //! \return Density in [atom/b-cm]
   double density() const { return density_; }
diff --git a/include/openmc/particle_data.h b/include/openmc/particle_data.h
index ec393845f..1a22f5837 100644
--- a/include/openmc/particle_data.h
+++ b/include/openmc/particle_data.h
@@ -389,6 +389,11 @@ public:
   const double& sqrtkT() const { return sqrtkT_; }
   double& sqrtkT_last() { return sqrtkT_last_; }
 
+  // density multiplier of the current and last cell
+  double& density_mult() { return density_mult_; }
+  const double& density_mult() const { return density_mult_; }
+  double& density_mult_last() { return density_mult_last_; }
+
 private:
   int64_t id_ {-1}; //!< Unique ID
 
@@ -417,6 +422,9 @@ private:
   double sqrtkT_ {-1.0};     //!< sqrt(k_Boltzmann * temperature) in eV
   double sqrtkT_last_ {0.0}; //!< last temperature
 
+  double density_mult_ {1.0};      //!< density multiplier
+  double density_mult_last_ {1.0}; //!< last density multiplier
+
 #ifdef OPENMC_DAGMC_ENABLED
   moab::DagMC::RayHistory history_;
   Direction last_dir_;
diff --git a/openmc/cell.py b/openmc/cell.py
index 88aaebc8f..82a034b1c 100644
--- a/openmc/cell.py
+++ b/openmc/cell.py
@@ -72,6 +72,10 @@ class Cell(IDManagerMixin):
     temperature : float or iterable of float
         Temperature of the cell in Kelvin.  Multiple temperatures can be given
         to give each distributed cell instance a unique temperature.
+    density : float or iterable of float
+        Density of the cell in [g/cm3]. Multiple densities can be given to give
+        each distributed cell instance a unique density. Densities set here will
+        override the density set on materials used to fill the cell.
     translation : Iterable of float
         If the cell is filled with a universe, this array specifies a vector
         that is used to translate (shift) the universe.
@@ -109,6 +113,7 @@ class Cell(IDManagerMixin):
         self._rotation = None
         self._rotation_matrix = None
         self._temperature = None
+        self._density = None
         self._translation = None
         self._paths = None
         self._num_instances = None
@@ -141,6 +146,7 @@ class Cell(IDManagerMixin):
         if self.fill_type == 'material':
             string += '\t{0: <15}=\t{1}\n'.format('Temperature',
                                                   self.temperature)
+            string += '\t{0: <15}=\t{1}\n'.format('Density', self.density)
         string += '{: <16}=\t{}\n'.format('\tTranslation', self.translation)
         string += '{: <16}=\t{}\n'.format('\tVolume', self.volume)
 
@@ -257,6 +263,30 @@ class Cell(IDManagerMixin):
         else:
             self._temperature = temperature
 
+    @property
+    def density(self):
+        return self._density
+
+    @density.setter
+    def density(self, density):
+        # Make sure densities are greater than zero
+        cv.check_type('cell density', density, (Iterable, Real), none_ok=True)
+        if isinstance(density, Iterable):
+            cv.check_type('cell density', density, Iterable, Real)
+            for rho in density:
+                cv.check_greater_than('cell density', rho, 0.0, True)
+        elif isinstance(density, Real):
+            cv.check_greater_than('cell density', density, 0.0, True)
+
+        # If this cell is filled with a universe or lattice, propagate
+        # densities to all cells contained. Otherwise, simply assign it.
+        if self.fill_type in ('universe', 'lattice'):
+            for c in self.get_all_cells().values():
+                if c.fill_type == 'material':
+                    c._density = density
+        else:
+            self._density = density
+
     @property
     def translation(self):
         return self._translation
@@ -525,6 +555,8 @@ class Cell(IDManagerMixin):
             clone.volume = self.volume
             if self.temperature is not None:
                 clone.temperature = self.temperature
+            if self.density is not None:
+                clone.density = self.density
             if self.translation is not None:
                 clone.translation = self.translation
             if self.rotation is not None:
@@ -650,6 +682,12 @@ class Cell(IDManagerMixin):
             else:
                 element.set("temperature", str(self.temperature))
 
+        if self.density is not None:
+            if isinstance(self.density, Iterable):
+                element.set("density", ' '.join(str(t) for t in self.density))
+            else:
+                element.set("density", str(self.density))
+
         if self.translation is not None:
             element.set("translation", ' '.join(map(str, self.translation)))
 
@@ -711,10 +749,13 @@ class Cell(IDManagerMixin):
                 c.temperature = temperature
             else:
                 c.temperature = temperature[0]
+        density = get_elem_list(elem, 'density', float)
+        if density is not None:
+            c.density = density if len(density) > 1 else density[0]
         v = get_text(elem, 'volume')
         if v is not None:
             c.volume = float(v)
-        for key in ('temperature', 'rotation', 'translation'):
+        for key in ('temperature', 'density', 'rotation', 'translation'):
             values = get_elem_list(elem, key, float)
             if values is not None:
                 if key == 'rotation' and len(values) == 9:
diff --git a/openmc/lib/cell.py b/openmc/lib/cell.py
index 971a24cba..dfd09d2f9 100644
--- a/openmc/lib/cell.py
+++ b/openmc/lib/cell.py
@@ -34,6 +34,10 @@ _dll.openmc_cell_get_temperature.argtypes = [
     c_int32, POINTER(c_int32), POINTER(c_double)]
 _dll.openmc_cell_get_temperature.restype = c_int
 _dll.openmc_cell_get_temperature.errcheck = _error_handler
+_dll.openmc_cell_get_density.argtypes = [
+    c_int32, POINTER(c_int32), POINTER(c_double)]
+_dll.openmc_cell_get_density.restype = c_int
+_dll.openmc_cell_get_density.errcheck = _error_handler
 _dll.openmc_cell_get_name.argtypes = [c_int32, POINTER(c_char_p)]
 _dll.openmc_cell_get_name.restype = c_int
 _dll.openmc_cell_get_name.errcheck = _error_handler
@@ -58,6 +62,10 @@ _dll.openmc_cell_set_temperature.argtypes = [
     c_int32, c_double, POINTER(c_int32), c_bool]
 _dll.openmc_cell_set_temperature.restype = c_int
 _dll.openmc_cell_set_temperature.errcheck = _error_handler
+_dll.openmc_cell_set_density.argtypes = [
+    c_int32, c_double, POINTER(c_int32), c_bool]
+_dll.openmc_cell_set_density.restype = c_int
+_dll.openmc_cell_set_density.errcheck = _error_handler
 _dll.openmc_cell_set_translation.argtypes = [c_int32, POINTER(c_double)]
 _dll.openmc_cell_set_translation.restype = c_int
 _dll.openmc_cell_set_translation.errcheck = _error_handler
@@ -236,6 +244,44 @@ class Cell(_FortranObjectWithID):
 
         _dll.openmc_cell_set_temperature(self._index, T, instance, set_contained)
 
+    def get_density(self, instance: int | None = None):
+        """Get the density of a cell in [g/cm3]
+
+        Parameters
+        ----------
+        instance : int or None
+            Which instance of the cell
+
+        """
+
+        if instance is not None:
+            instance = c_int32(instance)
+
+        rho = c_double()
+        _dll.openmc_cell_get_density(self._index, instance, rho)
+        return rho.value
+
+    def set_density(self, rho: float, instance: int | None = None,
+                    set_contained: bool = False):
+        """Set the density of a cell
+
+        Parameters
+        ----------
+        rho : float
+            Density of the cell in [g/cm3]
+        instance : int or None
+            Which instance of the cell
+        set_contained : bool
+            If cell is not filled by a material, whether to set the density
+            of all filled cells
+
+        """
+
+        if instance is not None:
+            instance = c_int32(instance)
+
+        _dll.openmc_cell_set_density(self._index, rho, instance, set_contained)
+
     @property
     def translation(self):
         translation = np.zeros(3)
diff --git a/openmc/model/model.py b/openmc/model/model.py
index 03fdcda1f..59e6fa511 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -633,7 +633,7 @@ class Model:
                 raise ValueError("Number of cells in properties file doesn't "
                                  "match current model.")
 
-            # Update temperatures for cells filled with materials
+            # Update temperatures and densities for cells filled with materials
             for name, group in cells_group.items():
                 cell_id = int(name.split()[1])
                 cell = cells[cell_id]
@@ -648,6 +648,20 @@ class Model:
                         else:
                             lib_cell.set_temperature(temperature[0])
 
+                    if group['density']:
+                      density = group['density'][()]
+                      if density.size > 1:
+                          cell.density = [rho for rho in density]
+                      else:
+                          cell.density = density
+                      if self.is_initialized:
+                          lib_cell = openmc.lib.cells[cell_id]
+                          if density.size > 1:
+                              for i, rho in enumerate(density):
+                                  lib_cell.set_density(rho, i)
+                          else:
+                              lib_cell.set_density(density[0])
+
             # Make sure number of materials matches
             mats_group = fh['materials']
             n_cells = mats_group.attrs['n_materials']
diff --git a/src/cell.cpp b/src/cell.cpp
index d838bfbb4..e2479994a 100644
--- a/src/cell.cpp
+++ b/src/cell.cpp
@@ -101,6 +101,25 @@ double Cell::temperature(int32_t instance) const
   }
 }
 
+double Cell::density_mult(int32_t instance) const
+{
+  if (instance >= 0) {
+    return density_mult_.size() == 1 ? density_mult_.at(0)
+                                     : density_mult_.at(instance);
+  } else {
+    return density_mult_[0];
+  }
+}
+
+double Cell::density(int32_t instance) const
+{
+  const int32_t mat_index = material(instance);
+  if (mat_index == MATERIAL_VOID)
+    return 0.0;
+
+  return density_mult(instance) * model::materials[mat_index]->density_gpcc();
+}
+
 void Cell::set_temperature(double T, int32_t instance, bool set_contained)
 {
   if (settings::temperature_method == TemperatureMethod::INTERPOLATION) {
@@ -151,6 +170,47 @@ void Cell::set_temperature(double T, int32_t instance, bool set_contained)
   }
 }
 
+void Cell::set_density(double density, int32_t instance, bool set_contained)
+{
+  if (type_ != Fill::MATERIAL && !set_contained) {
+    fatal_error(
+      fmt::format("Attempted to set the density multiplier of cell {} "
+                  "which is not filled by a material.",
+        id_));
+  }
+
+  if (type_ == Fill::MATERIAL) {
+    const int32_t mat_index = material(instance);
+    if (mat_index == MATERIAL_VOID)
+      return;
+
+    if (instance >= 0) {
+      // If density multiplier vector is not big enough, resize it first
+      if (density_mult_.size() != n_instances())
+        density_mult_.resize(n_instances(), density_mult_[0]);
+
+      // Set density multiplier for the corresponding instance
+      density_mult_.at(instance) =
+        density / model::materials[mat_index]->density_gpcc();
+    } else {
+      // Set density multiplier for all instances
+      for (auto& x : density_mult_) {
+        x = density / model::materials[mat_index]->density_gpcc();
+      }
+    }
+  } else {
+    auto contained_cells = this->get_contained_cells(instance);
+    for (const auto& entry : contained_cells) {
+      auto& cell = model::cells[entry.first];
+      assert(cell->type_ == Fill::MATERIAL);
+      auto& instances = entry.second;
+      for (auto instance : instances) {
+        cell->set_density(density, instance);
+      }
+    }
+  }
+}
+
 void Cell::export_properties_hdf5(hid_t group) const
 {
   // Create a group for this cell.
@@ -162,6 +222,15 @@ void Cell::export_properties_hdf5(hid_t group) const
     temps.push_back(sqrtkT_val * sqrtkT_val / K_BOLTZMANN);
   write_dataset(cell_group, "temperature", temps);
 
+  // Write density for one or more cell instances
+  if (type_ == Fill::MATERIAL && material_.size() > 0) {
+    vector<double> density;
+    for (int32_t i = 0; i < density_mult_.size(); ++i)
+      density.push_back(this->density(i));
+
+    write_dataset(cell_group, "density", density);
+  }
+
   close_group(cell_group);
 }
 
@@ -176,7 +245,7 @@ void Cell::import_properties_hdf5(hid_t group)
   // Ensure number of temperatures makes sense
   auto n_temps = temps.size();
   if (n_temps > 1 && n_temps != n_instances()) {
-    throw std::runtime_error(fmt::format(
+    fatal_error(fmt::format(
       "Number of temperatures for cell {} doesn't match number of instances",
       id_));
   }
@@ -188,6 +257,25 @@ void Cell::import_properties_hdf5(hid_t group)
     this->set_temperature(temps[i], i);
   }
 
+  // Read densities
+  if (object_exists(cell_group, "density")) {
+    vector<double> density;
+    read_dataset(cell_group, "density", density);
+
+    // Ensure number of densities makes sense
+    auto n_density = density.size();
+    if (n_density > 1 && n_density != n_instances()) {
+      fatal_error(fmt::format("Number of densities for cell {} "
+                              "doesn't match number of instances",
+        id_));
+    }
+
+    // Set densities.
+    for (int32_t i = 0; i < n_density; ++i) {
+      this->set_density(density[i], i);
+    }
+  }
+
   close_group(cell_group);
 }
 
@@ -227,6 +315,8 @@ void Cell::to_hdf5(hid_t cell_group) const
       temps.push_back(sqrtkT_val * sqrtkT_val / K_BOLTZMANN);
     write_dataset(group, "temperature", temps);
 
+    write_dataset(group, "density_mult", density_mult_);
+
   } else if (type_ == Fill::UNIVERSE) {
     write_dataset(group, "fill_type", "universe");
     write_dataset(group, "fill", model::universes[fill_]->id_);
@@ -344,6 +434,44 @@ CSGCell::CSGCell(pugi::xml_node cell_node)
     }
   }
 
+  // Read the density element which can be distributed similar to temperature.
+  // These get assigned to the density multiplier, requiring a division by
+  // the material density.
+  // Note: calculating the actual density multiplier is deferred until materials
+  // are finalized. density_mult_ contains the true density in the meantime.
+  if (check_for_node(cell_node, "density")) {
+    density_mult_ = get_node_array<double>(cell_node, "density");
+    density_mult_.shrink_to_fit();
+
+    // Make sure this is a material-filled cell.
+    if (material_.size() == 0) {
+      fatal_error(fmt::format(
+        "Cell {} was specified with a density but no material. Density"
+        "specification is only valid for cells filled with a material.",
+        id_));
+    }
+
+    // Make sure this is a non-void material.
+    for (auto mat_id : material_) {
+      if (mat_id == MATERIAL_VOID) {
+        fatal_error(fmt::format(
+          "Cell {} was specified with a density, but contains a void "
+          "material. Density specification is only valid for cells "
+          "filled with a non-void material.",
+          id_));
+      }
+    }
+
+    // Make sure all densities are non-negative and greater than zero.
+    for (auto rho : density_mult_) {
+      if (rho <= 0) {
+        fatal_error(fmt::format(
+          "Cell {} was specified with a density less than or equal to zero",
+          id_));
+      }
+    }
+  }
+
   // Read the region specification.
   std::string region_spec;
   if (check_for_node(cell_node, "region")) {
@@ -1129,6 +1257,24 @@ extern "C" int openmc_cell_set_temperature(
   return 0;
 }
 
+extern "C" int openmc_cell_set_density(
+  int32_t index, double density, const int32_t* instance, bool set_contained)
+{
+  if (index < 0 || index >= model::cells.size()) {
+    strcpy(openmc_err_msg, "Index in cells array is out of bounds.");
+    return OPENMC_E_OUT_OF_BOUNDS;
+  }
+
+  int32_t instance_index = instance ? *instance : -1;
+  try {
+    model::cells[index]->set_density(density, instance_index, set_contained);
+  } catch (const std::exception& e) {
+    set_errmsg(e.what());
+    return OPENMC_E_UNASSIGNED;
+  }
+  return 0;
+}
+
 extern "C" int openmc_cell_get_temperature(
   int32_t index, const int32_t* instance, double* T)
 {
@@ -1147,6 +1293,36 @@ extern "C" int openmc_cell_get_temperature(
   return 0;
 }
 
+extern "C" int openmc_cell_get_density(
+  int32_t index, const int32_t* instance, double* density)
+{
+  if (index < 0 || index >= model::cells.size()) {
+    strcpy(openmc_err_msg, "Index in cells array is out of bounds.");
+    return OPENMC_E_OUT_OF_BOUNDS;
+  }
+
+  int32_t instance_index = instance ? *instance : -1;
+  try {
+    if (model::cells[index]->type_ != Fill::MATERIAL) {
+      fatal_error(
+        fmt::format("Cell {}, instance {} is not filled with a material.",
+          model::cells[index]->id_, instance_index));
+    }
+
+    int32_t mat_index = model::cells[index]->material(instance_index);
+    if (mat_index == MATERIAL_VOID) {
+      *density = 0.0;
+    } else {
+      *density = model::cells[index]->density_mult(instance_index) *
+                 model::materials[mat_index]->density_gpcc();
+    }
+  } catch (const std::exception& e) {
+    set_errmsg(e.what());
+    return OPENMC_E_UNASSIGNED;
+  }
+  return 0;
+}
+
 //! Get the bounding box of a cell
 extern "C" int openmc_cell_bounding_box(
   const int32_t index, double* llc, double* urc)
diff --git a/src/geometry.cpp b/src/geometry.cpp
index df4850891..5ff15097b 100644
--- a/src/geometry.cpp
+++ b/src/geometry.cpp
@@ -172,11 +172,13 @@ bool find_cell_inner(
         p.cell_instance() = cell_instance_at_level(p, p.n_coord() - 1);
       }
 
-      // Set the material and temperature.
+      // Set the material, temperature and density multiplier.
       p.material_last() = p.material();
       p.material() = c.material(p.cell_instance());
       p.sqrtkT_last() = p.sqrtkT();
       p.sqrtkT() = c.sqrtkT(p.cell_instance());
+      p.density_mult_last() = p.density_mult();
+      p.density_mult() = c.density_mult(p.cell_instance());
 
       return true;
 
diff --git a/src/geometry_aux.cpp b/src/geometry_aux.cpp
index 51732cf8b..8a145fb1f 100644
--- a/src/geometry_aux.cpp
+++ b/src/geometry_aux.cpp
@@ -195,6 +195,24 @@ void assign_temperatures()
 
 //==============================================================================
 
+void finalize_cell_densities()
+{
+  for (auto& c : model::cells) {
+    // Convert to density multipliers.
+    if (!c->density_mult_.empty()) {
+      for (int32_t instance = 0; instance < c->density_mult_.size();
+           ++instance) {
+        c->density_mult_[instance] /=
+          model::materials[c->material(instance)]->density_gpcc();
+      }
+    } else {
+      c->density_mult_ = {1.0};
+    }
+  }
+}
+
+//==============================================================================
+
 void get_temperatures(
   vector<vector<double>>& nuc_temps, vector<vector<double>>& thermal_temps)
 {
@@ -362,6 +380,17 @@ void prepare_distribcell(const std::vector<int32_t>* user_distribcells)
           c.id_, c.sqrtkT_.size(), c.n_instances()));
       }
     }
+
+    if (c.density_mult_.size() > 1) {
+      if (c.density_mult_.size() != c.n_instances()) {
+        fatal_error(fmt::format("Cell {} was specified with {} density "
+                                "multipliers but has {} distributed "
+                                "instances. The number of density multipliers "
+                                "must equal one or the number "
+                                "of instances.",
+          c.id_, c.density_mult_.size(), c.n_instances()));
+      }
+    }
   }
 
   // Search through universes for material cells and assign each one a
diff --git a/src/initialize.cpp b/src/initialize.cpp
index 2da78137d..36f326116 100644
--- a/src/initialize.cpp
+++ b/src/initialize.cpp
@@ -401,6 +401,10 @@ bool read_model_xml()
   // Finalize cross sections having assigned temperatures
   finalize_cross_sections();
 
+  // Compute cell density multipliers now that material densities
+  // have been finalized (from geometry_aux.h)
+  finalize_cell_densities();
+
   if (check_for_node(root, "tallies"))
     read_tallies_xml(root.child("tallies"));
 
@@ -441,6 +445,11 @@ void read_separate_xml_files()
 
   // Finalize cross sections having assigned temperatures
   finalize_cross_sections();
+
+  // Compute cell density multipliers now that material densities
+  // have been finalized (from geometry_aux.h)
+  finalize_cell_densities();
+
   read_tallies_xml();
 
   // Initialize distribcell_filters
diff --git a/src/material.cpp b/src/material.cpp
index 32384ddf1..54caa3840 100644
--- a/src/material.cpp
+++ b/src/material.cpp
@@ -890,7 +890,7 @@ void Material::calculate_neutron_xs(Particle& p) const
     // ADD TO MACROSCOPIC CROSS SECTION
 
     // Copy atom density of nuclide in material
-    double atom_density = atom_density_(i);
+    double atom_density = this->atom_density(i, p.density_mult());
 
     // Add contributions to cross sections
     p.macro_xs().total += atom_density * micro.total;
@@ -925,7 +925,7 @@ void Material::calculate_photon_xs(Particle& p) const
     // ADD TO MACROSCOPIC CROSS SECTION
 
     // Copy atom density of nuclide in material
-    double atom_density = atom_density_(i);
+    double atom_density = this->atom_density(i, p.density_mult());
 
     // Add contributions to material macroscopic cross sections
     p.macro_xs().total += atom_density * micro.total;
diff --git a/src/mgxs.cpp b/src/mgxs.cpp
index a88d2c196..a2c479f21 100644
--- a/src/mgxs.cpp
+++ b/src/mgxs.cpp
@@ -617,10 +617,12 @@ void Mgxs::calculate_xs(Particle& p)
   }
   int temperature = p.mg_xs_cache().t;
   int angle = p.mg_xs_cache().a;
-  p.macro_xs().total = xs[temperature].total(angle, p.g());
-  p.macro_xs().absorption = xs[temperature].absorption(angle, p.g());
+  p.macro_xs().total = xs[temperature].total(angle, p.g()) * p.density_mult();
+  p.macro_xs().absorption =
+    xs[temperature].absorption(angle, p.g()) * p.density_mult();
   p.macro_xs().nu_fission =
-    fissionable ? xs[temperature].nu_fission(angle, p.g()) : 0.;
+    fissionable ? xs[temperature].nu_fission(angle, p.g()) * p.density_mult()
+                : 0.;
 }
 
 //==============================================================================
diff --git a/src/particle.cpp b/src/particle.cpp
index f25ada02c..f5ad45d80 100644
--- a/src/particle.cpp
+++ b/src/particle.cpp
@@ -200,7 +200,8 @@ void Particle::event_calculate_xs()
   // Calculate microscopic and macroscopic cross sections
   if (material() != MATERIAL_VOID) {
     if (settings::run_CE) {
-      if (material() != material_last() || sqrtkT() != sqrtkT_last()) {
+      if (material() != material_last() || sqrtkT() != sqrtkT_last() ||
+          density_mult() != density_mult_last()) {
         // If the material is the same as the last material and the
         // temperature hasn't changed, we don't need to lookup cross
         // sections again.
@@ -564,9 +565,10 @@ void Particle::cross_surface(const Surface& surf)
     int32_t i_cell = next_cell(surface_index(), cell_last(n_coord() - 1),
                        lowest_coord().universe()) -
                      1;
-    // save material and temp
+    // save material, temperature, and density multiplier
     material_last() = material();
     sqrtkT_last() = sqrtkT();
+    density_mult_last() = density_mult();
     // set new cell value
     lowest_coord().cell() = i_cell;
     auto& cell = model::cells[i_cell];
@@ -577,6 +579,7 @@ void Particle::cross_surface(const Surface& surf)
 
     material() = cell->material(cell_instance());
     sqrtkT() = cell->sqrtkT(cell_instance());
+    density_mult() = cell->density_mult(cell_instance());
     return;
   }
 #endif
diff --git a/src/physics.cpp b/src/physics.cpp
index 3c06e543d..8ad1b99d7 100644
--- a/src/physics.cpp
+++ b/src/physics.cpp
@@ -496,7 +496,7 @@ int sample_nuclide(Particle& p)
   for (int i = 0; i < n; ++i) {
     // Get atom density
     int i_nuclide = mat->nuclide_[i];
-    double atom_density = mat->atom_density_[i];
+    double atom_density = mat->atom_density(i, p.density_mult());
 
     // Increment probability to compare to cutoff
     prob += atom_density * p.neutron_xs(i_nuclide).total;
@@ -521,7 +521,7 @@ int sample_element(Particle& p)
   for (int i = 0; i < mat->element_.size(); ++i) {
     // Find atom density
     int i_element = mat->element_[i];
-    double atom_density = mat->atom_density_[i];
+    double atom_density = mat->atom_density(i, p.density_mult());
 
     // Determine microscopic cross section
     double sigma = atom_density * p.photon_xs(i_element).total;
diff --git a/src/tallies/tally_scoring.cpp b/src/tallies/tally_scoring.cpp
index 04b047b64..f078a5c6e 100644
--- a/src/tallies/tally_scoring.cpp
+++ b/src/tallies/tally_scoring.cpp
@@ -233,7 +233,7 @@ double score_fission_q(const Particle& p, int score_bin, const Tally& tally,
       double score {0.0};
       for (auto i = 0; i < material.nuclide_.size(); ++i) {
         auto j_nuclide = material.nuclide_[i];
-        auto atom_density = material.atom_density_(i);
+        auto atom_density = material.atom_density(i, p.density_mult());
         const Nuclide& nuc {*data::nuclides[j_nuclide]};
         score += get_nuc_fission_q(nuc, p, score_bin) * atom_density *
                  p.neutron_xs(j_nuclide).fission;
@@ -696,7 +696,7 @@ void score_general_ce_nonanalog(Particle& p, int i_tally, int start_index,
           const Material& material {*model::materials[p.material()]};
           for (auto i = 0; i < material.nuclide_.size(); ++i) {
             auto j_nuclide = material.nuclide_[i];
-            auto atom_density = material.atom_density_(i);
+            auto atom_density = material.atom_density(i, p.density_mult());
             score += p.neutron_xs(j_nuclide).fission *
                      data::nuclides[j_nuclide]->nu(
                        E, ReactionProduct::EmissionMode::prompt) *
@@ -743,7 +743,7 @@ void score_general_ce_nonanalog(Particle& p, int i_tally, int start_index,
             const Material& material {*model::materials[p.material()]};
             for (auto i = 0; i < material.nuclide_.size(); ++i) {
               auto j_nuclide = material.nuclide_[i];
-              auto atom_density = material.atom_density_(i);
+              auto atom_density = material.atom_density(i, p.density_mult());
               // Tally each delayed group bin individually
               for (auto d_bin = 0; d_bin < filt.n_bins(); ++d_bin) {
                 auto d = filt.groups()[d_bin];
@@ -763,7 +763,7 @@ void score_general_ce_nonanalog(Particle& p, int i_tally, int start_index,
             const Material& material {*model::materials[p.material()]};
             for (auto i = 0; i < material.nuclide_.size(); ++i) {
               auto j_nuclide = material.nuclide_[i];
-              auto atom_density = material.atom_density_(i);
+              auto atom_density = material.atom_density(i, p.density_mult());
               score += p.neutron_xs(j_nuclide).fission *
                        data::nuclides[j_nuclide]->nu(
                          E, ReactionProduct::EmissionMode::delayed) *
@@ -824,7 +824,7 @@ void score_general_ce_nonanalog(Particle& p, int i_tally, int start_index,
             const Material& material {*model::materials[p.material()]};
             for (auto i = 0; i < material.nuclide_.size(); ++i) {
               auto j_nuclide = material.nuclide_[i];
-              auto atom_density = material.atom_density_(i);
+              auto atom_density = material.atom_density(i, p.density_mult());
               const auto& nuc {*data::nuclides[j_nuclide]};
               if (nuc.fissionable_) {
                 const auto& rxn {*nuc.fission_rx_[0]};
@@ -849,7 +849,7 @@ void score_general_ce_nonanalog(Particle& p, int i_tally, int start_index,
             const Material& material {*model::materials[p.material()]};
             for (auto i = 0; i < material.nuclide_.size(); ++i) {
               auto j_nuclide = material.nuclide_[i];
-              auto atom_density = material.atom_density_(i);
+              auto atom_density = material.atom_density(i, p.density_mult());
               const auto& nuc {*data::nuclides[j_nuclide]};
               if (nuc.fissionable_) {
                 const auto& rxn {*nuc.fission_rx_[0]};
@@ -893,7 +893,7 @@ void score_general_ce_nonanalog(Particle& p, int i_tally, int start_index,
         const Material& material {*model::materials[p.material()]};
         for (auto i = 0; i < material.nuclide_.size(); ++i) {
           auto j_nuclide = material.nuclide_[i];
-          auto atom_density = material.atom_density_(i);
+          auto atom_density = material.atom_density(i, p.density_mult());
           const auto& nuc {*data::nuclides[j_nuclide]};
           if (nuc.fissionable_) {
             const auto& rxn {*nuc.fission_rx_[0]};
@@ -924,7 +924,7 @@ void score_general_ce_nonanalog(Particle& p, int i_tally, int start_index,
           const Material& material {*model::materials[p.material()]};
           for (auto i = 0; i < material.nuclide_.size(); ++i) {
             auto j_nuclide = material.nuclide_[i];
-            auto atom_density = material.atom_density_(i);
+            auto atom_density = material.atom_density(i, p.density_mult());
             if (p.neutron_xs(j_nuclide).elastic == CACHE_INVALID)
               data::nuclides[j_nuclide]->calculate_elastic_xs(p);
             score += p.neutron_xs(j_nuclide).elastic * atom_density * flux;
@@ -1025,7 +1025,7 @@ void score_general_ce_nonanalog(Particle& p, int i_tally, int start_index,
           const Material& material {*model::materials[p.material()]};
           for (auto i = 0; i < material.nuclide_.size(); ++i) {
             auto j_nuclide = material.nuclide_[i];
-            auto atom_density = material.atom_density_(i);
+            auto atom_density = material.atom_density(i, p.density_mult());
             score += p.neutron_xs(j_nuclide).reaction[m] * atom_density * flux;
           }
         }
@@ -1079,7 +1079,7 @@ void score_general_ce_nonanalog(Particle& p, int i_tally, int start_index,
         const Material& material {*model::materials[p.material()]};
         for (auto i = 0; i < material.nuclide_.size(); ++i) {
           auto j_nuclide = material.nuclide_[i];
-          auto atom_density = material.atom_density_(i);
+          auto atom_density = material.atom_density(i, p.density_mult());
           score +=
             get_nuclide_xs(p, j_nuclide, score_bin) * atom_density * flux;
         }
@@ -2383,7 +2383,8 @@ void score_analog_tally_mg(Particle& p)
             model::materials[p.material()]->mat_nuclide_index_[i_nuclide];
           if (j == C_NONE)
             continue;
-          atom_density = model::materials[p.material()]->atom_density_(j);
+          atom_density =
+            model::materials[p.material()]->atom_density(j, p.density_mult());
         }
 
         score_general_mg(p, i_tally, i * tally.scores_.size(), filter_index,
@@ -2449,8 +2450,9 @@ void score_tracklength_tally_general(
                 atom_density = 1.0;
               }
             } else {
-              atom_density =
-                tally.multiply_density() ? mat->atom_density_(j) : 1.0;
+              atom_density = tally.multiply_density()
+                               ? mat->atom_density(j, p.density_mult())
+                               : 1.0;
             }
           }
         }
@@ -2579,8 +2581,9 @@ void score_collision_tally(Particle& p)
               atom_density = 1.0;
             }
           } else {
-            atom_density =
-              tally.multiply_density() ? mat->atom_density_(j) : 1.0;
+            atom_density = tally.multiply_density()
+                             ? mat->atom_density(j, p.density_mult())
+                             : 1.0;
           }
         }
 
diff --git a/tests/regression_tests/cpp_driver/driver.cpp b/tests/regression_tests/cpp_driver/driver.cpp
index 48ed7f317..a99c97b64 100644
--- a/tests/regression_tests/cpp_driver/driver.cpp
+++ b/tests/regression_tests/cpp_driver/driver.cpp
@@ -15,14 +15,16 @@
 
 using namespace openmc;
 
-int main(int argc, char** argv) {
+int main(int argc, char** argv)
+{
 #ifdef OPENMC_MPI
   MPI_Comm world {MPI_COMM_WORLD};
   int err = openmc_init(argc, argv, &world);
 #else
   int err = openmc_init(argc, argv, nullptr);
 #endif
-  if (err) fatal_error(openmc_err_msg);
+  if (err)
+    fatal_error(openmc_err_msg);
 
   // create a new cell filter
   auto cell_filter = Filter::create<CellFilter>();
@@ -30,7 +32,7 @@ int main(int argc, char** argv) {
   // add all cells to the cell filter
   std::vector<int32_t> cell_indices;
   for (auto& entry : openmc::model::cell_map) {
-      cell_indices.push_back(entry.second);
+    cell_indices.push_back(entry.second);
   }
   // enable distribcells offsets for all cells
   prepare_distribcell(&cell_indices);
@@ -39,7 +41,6 @@ int main(int argc, char** argv) {
   std::sort(cell_indices.begin(), cell_indices.end());
   cell_filter->set_cells(cell_indices);
 
-
   // create a new tally
   auto tally = Tally::create();
   std::vector<Filter*> filters = {cell_filter};
@@ -60,14 +61,19 @@ int main(int argc, char** argv) {
     }
   }
 
-  // set a higher temperature for only one of the lattice cells (ID is 4 in the model)
+  // set a higher temperature for only one of the lattice cells (ID is 4 in the
+  // model)
   model::cells[model::cell_map[4]]->set_temperature(400.0, 3, true);
 
+  // set the density of another lattice cell to 2
+  model::cells[model::cell_map[4]]->set_density(2.0, 2, true);
+
   // the summary file will be used to check that
   // temperatures were set correctly so clear
   // error output can be provided
 #ifdef OPENMC_MPI
-  if (openmc::mpi::master) openmc::write_summary();
+  if (openmc::mpi::master)
+    openmc::write_summary();
 #else
   openmc::write_summary();
 #endif
diff --git a/tests/regression_tests/cpp_driver/results_true.dat b/tests/regression_tests/cpp_driver/results_true.dat
index c2b0b8d6f..26f07842c 100644
--- a/tests/regression_tests/cpp_driver/results_true.dat
+++ b/tests/regression_tests/cpp_driver/results_true.dat
@@ -1,13 +1,13 @@
 k-combined:
-1.933305E+00 1.300360E-02
+1.953962E+00 1.828426E-02
 tally 1:
-9.552846E+01
-1.019358E+03
-2.887973E+01
-9.308509E+01
-9.732441E+01
-1.059022E+03
-2.217326E+02
-5.486892E+03
-2.217326E+02
-5.486892E+03
+9.607953E+01
+1.031898E+03
+2.853683E+01
+9.085469E+01
+9.745011E+01
+1.058928E+03
+2.220665E+02
+5.496813E+03
+2.220665E+02
+5.496813E+03
diff --git a/tests/regression_tests/dagmc/external/main.cpp b/tests/regression_tests/dagmc/external/main.cpp
index 3765cf79a..e78ab03fa 100644
--- a/tests/regression_tests/dagmc/external/main.cpp
+++ b/tests/regression_tests/dagmc/external/main.cpp
@@ -100,6 +100,9 @@ int main(int argc, char* argv[])
     }
   }
 
+  // Finalize cell densities
+  openmc::finalize_cell_densities();
+
   // Run OpenMC
   openmc_err = openmc_run();
   if (openmc_err)
diff --git a/tests/regression_tests/lattice_distribrho/__init__.py b/tests/regression_tests/lattice_distribrho/__init__.py
new file mode 100644
index 000000000..e69de29bb
diff --git a/tests/regression_tests/lattice_distribrho/inputs_true.dat b/tests/regression_tests/lattice_distribrho/inputs_true.dat
new file mode 100644
index 000000000..5031bea6e
--- /dev/null
+++ b/tests/regression_tests/lattice_distribrho/inputs_true.dat
@@ -0,0 +1,40 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material id="1" name="UO2" depletable="true">
+      <density value="10.0" units="g/cm3"/>
+      <nuclide name="U235" ao="1.0"/>
+      <nuclide name="O16" ao="2.0"/>
+    </material>
+    <material id="2" name="light water">
+      <density value="1.0" units="g/cm3"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
+      <sab name="c_H_in_H2O"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="-1" density="10.0 20.0 10.0 20.0" universe="1"/>
+    <cell id="2" material="2" region="1" universe="1"/>
+    <cell id="3" fill="2" region="2 -3 4 -5" universe="3"/>
+    <lattice id="2">
+      <pitch>1.0 1.0</pitch>
+      <dimension>2 2</dimension>
+      <lower_left>-1.0 -1.0</lower_left>
+      <universes>
+1 1 
+1 1 </universes>
+    </lattice>
+    <surface id="1" type="z-cylinder" coeffs="0.0 0.0 0.4"/>
+    <surface id="2" name="minimum x" type="x-plane" boundary="reflective" coeffs="-1.0"/>
+    <surface id="3" name="maximum x" type="x-plane" boundary="reflective" coeffs="1.0"/>
+    <surface id="4" name="minimum y" type="y-plane" boundary="reflective" coeffs="-1.0"/>
+    <surface id="5" name="maximum y" type="y-plane" boundary="reflective" coeffs="1.0"/>
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>1000</particles>
+    <batches>10</batches>
+    <inactive>5</inactive>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/lattice_distribrho/results_true.dat b/tests/regression_tests/lattice_distribrho/results_true.dat
new file mode 100644
index 000000000..d7094f4e3
--- /dev/null
+++ b/tests/regression_tests/lattice_distribrho/results_true.dat
@@ -0,0 +1,2 @@
+k-combined:
+1.904471E+00 5.255549E-03
diff --git a/tests/regression_tests/lattice_distribrho/test.py b/tests/regression_tests/lattice_distribrho/test.py
new file mode 100644
index 000000000..ec94fe96b
--- /dev/null
+++ b/tests/regression_tests/lattice_distribrho/test.py
@@ -0,0 +1,51 @@
+import openmc
+import pytest
+
+from tests.testing_harness import PyAPITestHarness
+
+
+@pytest.fixture
+def model():
+    model = openmc.Model()
+
+    uo2 = openmc.Material(name='UO2')
+    uo2.set_density('g/cm3', 10.0)
+    uo2.add_nuclide('U235', 1.0)
+    uo2.add_nuclide('O16', 2.0)
+    water = openmc.Material(name='light water')
+    water.add_nuclide('H1', 2.0)
+    water.add_nuclide('O16', 1.0)
+    water.set_density('g/cm3', 1.0)
+    water.add_s_alpha_beta('c_H_in_H2O')
+    model.materials.extend([uo2, water])
+
+    cyl = openmc.ZCylinder(r=0.4)
+    pin = openmc.model.pin([cyl], [uo2, water])
+    d = 1.0
+
+    lattice = openmc.RectLattice()
+    lattice.lower_left = (-d, -d)
+    lattice.pitch = (d, d)
+    lattice.universes = [[pin, pin],
+                         [pin, pin]]
+    box = openmc.model.RectangularPrism(
+        2.0 * d, 2.0 * d,
+        origin=(0.0, 0.0),
+        boundary_type='reflective'
+    )
+
+    pin.cells[1].density = [10.0, 20.0, 10.0, 20.0]
+
+    model.geometry = openmc.Geometry([openmc.Cell(fill=lattice, region=-box)])
+    model.geometry.merge_surfaces = True
+
+    model.settings.batches = 10
+    model.settings.inactive = 5
+    model.settings.particles = 1000
+
+    return model
+
+
+def test_lattice_checkerboard(model):
+    harness = PyAPITestHarness('statepoint.10.h5', model)
+    harness.main()
diff --git a/tests/regression_tests/multipole/results_true.dat b/tests/regression_tests/multipole/results_true.dat
index 8e82655ce..8eb75b894 100644
--- a/tests/regression_tests/multipole/results_true.dat
+++ b/tests/regression_tests/multipole/results_true.dat
@@ -38,5 +38,6 @@ Cell
 	Region         =	-1
 	Rotation       =	None
 	Temperature    =	[500. 700.   0. 800.]
+	Density        =	None
 	Translation    =	None
 	Volume         =	None
diff --git a/tests/unit_tests/test_cell.py b/tests/unit_tests/test_cell.py
index 95c8249bb..60b205818 100644
--- a/tests/unit_tests/test_cell.py
+++ b/tests/unit_tests/test_cell.py
@@ -126,6 +126,29 @@ def test_temperature(cell_with_lattice):
     c.temperature = (300., 600., 900.)
 
 
+def test_densities(cell_with_lattice):
+    # Make sure density propagates through universes
+    m = openmc.Material()
+    s = openmc.XPlane()
+    c1 = openmc.Cell(fill=m, region=+s)
+    c2 = openmc.Cell(fill=m, region=-s)
+    u1 = openmc.Universe(cells=[c1, c2])
+    c = openmc.Cell(fill=u1)
+
+    c.density = 1.
+    assert c1.density == 1.
+    assert c2.density == 1.
+    with pytest.raises(ValueError):
+        c.density = -1.
+    c.density = None
+    assert c1.density == None
+    assert c2.density == None
+
+    # distributed density
+    cells, _, _, _ = cell_with_lattice
+    c = cells[0]
+    c.density = (1., 2., 3.)
+
 def test_rotation():
     u = openmc.Universe()
     c = openmc.Cell(fill=u)
diff --git a/tests/unit_tests/test_lib.py b/tests/unit_tests/test_lib.py
index 8ab35335f..8080ce894 100644
--- a/tests/unit_tests/test_lib.py
+++ b/tests/unit_tests/test_lib.py
@@ -159,6 +159,29 @@ def test_properties_temperature(lib_init):
     assert cell.get_temperature() == pytest.approx(200.0)
 
 
+def test_cell_density(lib_init):
+    cell = openmc.lib.cells[1]
+    cell.set_density(1.5, 0)
+    assert cell.get_density(0) == pytest.approx(1.5)
+    cell.set_density(2.0)
+    assert cell.get_density() == pytest.approx(2.0)
+
+
+def test_properties_cell_density(lib_init):
+    # Cell density should be 2.0 from above test
+    cell = openmc.lib.cells[1]
+    assert cell.get_density() == pytest.approx(2.0)
+
+    # Export properties and change density
+    openmc.lib.export_properties('properties.h5')
+    cell.set_density(3.0)
+    assert cell.get_density() == pytest.approx(3.0)
+
+    # Import properties and check that density is restored
+    openmc.lib.import_properties('properties.h5')
+    assert cell.get_density() == pytest.approx(2.0)
+
+
 def test_new_cell(lib_init):
     with pytest.raises(exc.AllocationError):
         openmc.lib.Cell(1)
diff --git a/tests/unit_tests/test_model.py b/tests/unit_tests/test_model.py
index 6e4dec00f..12f0df6c9 100644
--- a/tests/unit_tests/test_model.py
+++ b/tests/unit_tests/test_model.py
@@ -251,10 +251,11 @@ def test_import_properties(run_in_tmpdir, mpi_intracomm):
     model = openmc.examples.pwr_pin_cell()
     model.init_lib(output=False, intracomm=mpi_intracomm)
 
-    # Change fuel temperature and density and export properties
+    # Change cell fuel temperature, density, material density and export properties
     cell = openmc.lib.cells[1]
     cell.set_temperature(600.0)
     cell.fill.set_density(5.0, 'g/cm3')
+    cell.set_density(10.0)
     openmc.lib.export_properties(output=False)
 
     # Import properties to existing model
@@ -264,9 +265,11 @@ def test_import_properties(run_in_tmpdir, mpi_intracomm):
     # First python
     cell = model.geometry.get_all_cells()[1]
     assert cell.temperature == [600.0]
+    assert cell.density == [pytest.approx(10.0, 1e-5)]
     assert cell.fill.get_mass_density() == pytest.approx(5.0)
     # Now C
     assert openmc.lib.cells[1].get_temperature() == 600.
+    assert openmc.lib.cells[1].get_density() == pytest.approx(10.0, 1e-5)
     assert openmc.lib.materials[1].get_density('g/cm3') == pytest.approx(5.0)
 
     # Clear the C API
@@ -283,6 +286,7 @@ def test_import_properties(run_in_tmpdir, mpi_intracomm):
     )
     cell = model_with_properties.geometry.get_all_cells()[1]
     assert cell.temperature == [600.0]
+    assert cell.density == [pytest.approx(10.0, 1e-5)]
     assert cell.fill.get_mass_density() == pytest.approx(5.0)
 
 

From 007ac8148bcda4911edb0191df762fa7ef3c5b8e Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 18 Sep 2025 23:27:41 -0500
Subject: [PATCH 2392/2654] Allow newer Sphinx version and fix docbuild
 warnings (#3571)

---
 docs/source/conf.py           | 2 --
 openmc/deplete/abc.py         | 9 +++++----
 openmc/deplete/integrators.py | 1 -
 openmc/mgxs/mgxs.py           | 5 +++--
 openmc/plots.py               | 6 ++++--
 pyproject.toml                | 4 ++--
 6 files changed, 14 insertions(+), 13 deletions(-)

diff --git a/docs/source/conf.py b/docs/source/conf.py
index 8aeff5cdc..826c20022 100644
--- a/docs/source/conf.py
+++ b/docs/source/conf.py
@@ -121,9 +121,7 @@ pygments_style = 'tango'
 # -- Options for HTML output ---------------------------------------------------
 
 # The theme to use for HTML and HTML Help pages
-import sphinx_rtd_theme
 html_theme = 'sphinx_rtd_theme'
-html_theme_path = [sphinx_rtd_theme.get_html_theme_path()]
 html_baseurl = "https://docs.openmc.org/en/stable/"
 
 html_logo = '_images/openmc_logo.png'
diff --git a/openmc/deplete/abc.py b/openmc/deplete/abc.py
index e6d4c1512..c5a6219c7 100644
--- a/openmc/deplete/abc.py
+++ b/openmc/deplete/abc.py
@@ -12,6 +12,7 @@ from copy import deepcopy
 from inspect import signature
 from numbers import Real, Integral
 from pathlib import Path
+from textwrap import dedent
 import time
 from typing import Optional, Union, Sequence
 from warnings import warn
@@ -526,7 +527,7 @@ class Integrator(ABC):
     r"""Abstract class for solving the time-integration for depletion
     """
 
-    _params = r"""
+    _params = dedent(r"""
     Parameters
     ----------
     operator : openmc.deplete.abc.TransportOperator
@@ -617,7 +618,7 @@ class Integrator(ABC):
 
         .. versionadded:: 0.15.3
 
-    """
+    """)
 
     def __init__(
             self,
@@ -1020,7 +1021,7 @@ class SIIntegrator(Integrator):
     the number of particles used in initial transport calculation
     """
 
-    _params = r"""
+    _params = dedent(r"""
     Parameters
     ----------
     operator : openmc.deplete.abc.TransportOperator
@@ -1108,7 +1109,7 @@ class SIIntegrator(Integrator):
 
         .. versionadded:: 0.12
 
-    """
+    """)
 
     def __init__(
             self,
diff --git a/openmc/deplete/integrators.py b/openmc/deplete/integrators.py
index 000cb2c41..7c543a6cb 100644
--- a/openmc/deplete/integrators.py
+++ b/openmc/deplete/integrators.py
@@ -22,7 +22,6 @@ class PredictorIntegrator(Integrator):
 
     .. math::
         \mathbf{n}_{i+1} = \exp\left(h\mathbf{A}(\mathbf{n}_i) \right) \mathbf{n}_i
-
     """
     _num_stages = 1
 
diff --git a/openmc/mgxs/mgxs.py b/openmc/mgxs/mgxs.py
index 1bc7f9387..b8f2b8d3f 100644
--- a/openmc/mgxs/mgxs.py
+++ b/openmc/mgxs/mgxs.py
@@ -2,6 +2,7 @@ import copy
 from numbers import Integral
 import os
 import warnings
+from textwrap import dedent
 
 import h5py
 import numpy as np
@@ -164,7 +165,7 @@ class MGXS:
 
     """
 
-    _params = """
+    _params = dedent("""
     Parameters
     ----------
     domain : openmc.Material or openmc.Cell or openmc.Universe or openmc.RegularMesh
@@ -251,7 +252,7 @@ class MGXS:
 
         .. versionadded:: 0.13.1
 
-    """
+    """)
 
     # Store whether or not the number density should be removed for microscopic
     # values of this data
diff --git a/openmc/plots.py b/openmc/plots.py
index 072a9a319..e9130f0be 100644
--- a/openmc/plots.py
+++ b/openmc/plots.py
@@ -1,6 +1,7 @@
 from collections.abc import Iterable, Mapping
 from numbers import Integral, Real
 from pathlib import Path
+from textwrap import dedent
 
 import h5py
 import lxml.etree as ET
@@ -167,7 +168,8 @@ _SVG_COLORS = {
     'yellowgreen': (154, 205, 50)
 }
 
-_PLOT_PARAMS = """
+_PLOT_PARAMS = dedent("""\
+
         Parameters
         ----------
         origin : iterable of float
@@ -249,7 +251,7 @@ _PLOT_PARAMS = """
         -------
         matplotlib.axes.Axes
             Axes containing resulting image
-"""
+""")
 
 
 # Decorator for consistently adding plot parameters to docstrings (Model.plot,
diff --git a/pyproject.toml b/pyproject.toml
index 6e8ed798e..7705de8da 100644
--- a/pyproject.toml
+++ b/pyproject.toml
@@ -41,12 +41,12 @@ dependencies = [
 [project.optional-dependencies]
 depletion-mpi = ["mpi4py"]
 docs = [
-    "sphinx==5.0.2",
+    "sphinx",
     "sphinxcontrib-katex",
     "sphinx-numfig",
     "jupyter",
     "sphinxcontrib-svg2pdfconverter",
-    "sphinx-rtd-theme==1.0.0"
+    "sphinx-rtd-theme"
 ]
 test = ["packaging", "pytest", "pytest-cov", "colorama", "openpyxl"]
 ci = ["cpp-coveralls", "coveralls"]

From ecb0a3361f600594984b72ce37e33cd7650497b6 Mon Sep 17 00:00:00 2001
From: Ilham Variansyah <variansi@oregonstate.edu>
Date: Fri, 19 Sep 2025 15:10:08 +0700
Subject: [PATCH 2393/2654] Combing for fission site sampling, and delayed
 neutron emission time (#2992)

Co-authored-by: Gavin Ridley <gavin.keith.ridley@gmail.com>
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 docs/source/methods/neutron_physics.rst       |   19 +-
 examples/pincell_pulsed/run_pulse.py          |  101 +
 include/openmc/settings.h                     |    1 +
 openmc/settings.py                            |   27 +
 src/eigenvalue.cpp                            |  106 +-
 src/finalize.cpp                              |    1 +
 src/physics.cpp                               |   20 +-
 src/physics_mg.cpp                            |   20 +-
 src/settings.cpp                              |    6 +
 src/tallies/tally_scoring.cpp                 |    3 +-
 .../adj_cell_rotation/results_true.dat        |    2 +-
 .../albedo_box/results_true.dat               |    2 +-
 .../asymmetric_lattice/results_true.dat       |    2 +-
 .../cmfd_feed/results_true.dat                |  612 +--
 .../cmfd_feed_2g/results_true.dat             |  538 +--
 .../results_true.dat                          |  562 +--
 .../cmfd_feed_ng/results_true.dat             |  680 ++--
 .../cmfd_feed_rectlin/results_true.dat        |  778 ++--
 .../cmfd_feed_ref_d/results_true.dat          |  562 +--
 .../cmfd_feed_rolling_window/results_true.dat |  562 +--
 .../cmfd_nofeed/results_true.dat              |  610 +--
 .../cmfd_restart/results_true.dat             |  612 +--
 .../complex_cell/results_true.dat             |   16 +-
 .../confidence_intervals/results_true.dat     |    6 +-
 .../cpp_driver/results_true.dat               |   22 +-
 .../dagmc/external/results_true.dat           |    6 +-
 .../dagmc/legacy/results_true.dat             |    6 +-
 .../dagmc/refl/results_true.dat               |    6 +-
 .../dagmc/universes/inputs_true.dat           |    8 +
 .../dagmc/universes/results_true.dat          |   18 +-
 .../regression_tests/dagmc/universes/test.py  |  134 +-
 .../regression_tests/density/results_true.dat |    2 +-
 .../test_reference_coupled_days.h5            |  Bin 36048 -> 36048 bytes
 .../test_reference_coupled_hours.h5           |  Bin 36048 -> 36048 bytes
 .../test_reference_coupled_minutes.h5         |  Bin 36048 -> 36048 bytes
 .../test_reference_coupled_months.h5          |  Bin 36048 -> 36048 bytes
 .../test_reference_fission_q.h5               |  Bin 36048 -> 36048 bytes
 .../test_reference_source_rate.h5             |  Bin 36048 -> 36048 bytes
 .../ref_depletion_with_ext_source.h5          |  Bin 37328 -> 37328 bytes
 .../ref_depletion_with_feed.h5                |  Bin 37328 -> 37328 bytes
 .../ref_depletion_with_removal.h5             |  Bin 37328 -> 37328 bytes
 .../ref_depletion_with_transfer.h5            |  Bin 37328 -> 37328 bytes
 .../ref_no_depletion_only_feed.h5             |  Bin 37328 -> 37328 bytes
 .../ref_no_depletion_only_removal.h5          |  Bin 37328 -> 37328 bytes
 .../ref_no_depletion_with_ext_source.h5       |  Bin 37328 -> 37328 bytes
 .../ref_no_depletion_with_transfer.h5         |  Bin 37328 -> 37328 bytes
 .../deplete_with_transfer_rates/test.py       |    3 +-
 .../last_step_reference_materials.xml         | 1280 +++----
 .../deplete_with_transport/test_reference.h5  |  Bin 163736 -> 163736 bytes
 .../diff_tally/results_true.dat               |  220 +-
 .../distribmat/results_true.dat               |    2 +-
 .../eigenvalue_genperbatch/results_true.dat   |    6 +-
 .../eigenvalue_no_inactive/results_true.dat   |    2 +-
 .../energy_grid/results_true.dat              |    2 +-
 .../energy_laws/results_true.dat              |    2 +-
 .../regression_tests/entropy/results_true.dat |   20 +-
 .../filter_cellfrom/results_true.dat          |   62 +-
 .../filter_cellinstance/results_true.dat      |  162 +-
 .../case-3/results_true.dat                   |    2 +-
 .../case-4/results_true.dat                   |    6 +-
 .../filter_energyfun/results_true.dat         |   10 +-
 .../filter_mesh/results_true.dat              |    2 +-
 .../filter_musurface/results_true.dat         |   10 +-
 .../filter_translations/results_true.dat      |  674 ++--
 tests/regression_tests/ifp/results_true.dat   |   14 +-
 .../infinite_cell/results_true.dat            |    2 +-
 .../iso_in_lab/results_true.dat               |    2 +-
 .../regression_tests/lattice/results_true.dat |    2 +-
 .../lattice_distribmat/False/results_true.dat |    2 +-
 .../lattice_distribmat/True/results_true.dat  |    2 +-
 .../lattice_distribrho/results_true.dat       |    2 +-
 .../lattice_hex/results_true.dat              |    2 +-
 .../lattice_hex_coincident/results_true.dat   |    2 +-
 .../lattice_hex_x/results_true.dat            |    2 +-
 .../lattice_multiple/results_true.dat         |    2 +-
 .../lattice_rotated/results_true.dat          |    2 +-
 .../mg_basic/results_true.dat                 |    2 +-
 .../mg_basic_delayed/results_true.dat         |    2 +-
 .../mg_convert/results_true.dat               |   24 +-
 tests/regression_tests/mg_convert/test.py     |    6 +-
 .../mg_legendre/results_true.dat              |    2 +-
 .../mg_max_order/results_true.dat             |    2 +-
 .../mg_survival_biasing/results_true.dat      |    2 +-
 .../mg_tallies/results_true.dat               | 2482 ++++++------
 .../mg_temperature/results_true.dat           |   20 +-
 .../mg_temperature_multi/results_true.dat     |   10 +-
 .../mgxs_library_ce_to_mg/results_true.dat    |    2 +-
 .../results_true.dat                          |    2 +-
 .../mgxs_library_condense/results_true.dat    |  572 +--
 .../mgxs_library_correction/results_true.dat  |   72 +-
 .../mgxs_library_distribcell/results_true.dat |  142 +-
 .../mgxs_library_hdf5/results_true.dat        |  266 +-
 .../mgxs_library_histogram/results_true.dat   |  660 ++--
 .../mgxs_library_mesh/results_true.dat        |  548 +--
 .../mgxs_library_no_nuclides/results_true.dat |  782 ++--
 .../mgxs_library_nuclides/results_true.dat    |    2 +-
 .../results_true.dat                          |    2 +-
 .../test_reference_materials_direct.csv       |    8 +-
 .../microxs/test_reference_materials_flux.csv |    8 +-
 .../microxs/test_reference_mesh_direct.csv    |    8 +-
 .../microxs/test_reference_mesh_flux.csv      |    8 +-
 .../multipole/results_true.dat                |   54 +-
 .../regression_tests/output/results_true.dat  |    2 +-
 .../particle_restart_eigval/results_true.dat  |   10 +-
 .../particle_restart_eigval/settings.xml      |    2 +-
 .../particle_restart_eigval/test.py           |    2 +-
 .../periodic/results_true.dat                 |    2 +-
 .../periodic_6fold/results_true.dat           |    2 +-
 .../periodic_hex/results_true.dat             |    2 +-
 .../results_true.dat                          |   58 +-
 .../ptables_off/results_true.dat              |    2 +-
 .../quadric_surfaces/results_true.dat         |    2 +-
 .../results_true.dat                          |    2 +-
 .../infinite_medium/results_true.dat          |    2 +-
 .../material_wise/results_true.dat            |    2 +-
 .../stochastic_slab/results_true.dat          |    2 +-
 .../results_true.dat                          |    2 +-
 .../linear/results_true.dat                   |    4 +-
 .../flat/results_true.dat                     |    6 +-
 .../linear_xy/results_true.dat                |   14 +-
 .../results_true.dat                          |   10 +-
 .../random_ray_k_eff/results_true.dat         |   14 +-
 .../random_ray_k_eff_mesh/results_true.dat    |   18 +-
 .../random_ray_linear/linear/results_true.dat |    6 +-
 .../hybrid/results_true.dat                   |    4 +-
 .../reflective_plane/results_true.dat         |    2 +-
 .../resonance_scattering/results_true.dat     |    2 +-
 .../rotation/results_true.dat                 |    2 +-
 .../salphabeta/results_true.dat               |    2 +-
 .../score_current/results_true.dat            | 3366 ++++++++---------
 tests/regression_tests/seed/results_true.dat  |    2 +-
 .../regression_tests/source/results_true.dat  |    2 +-
 .../source_file/results_true.dat              |    2 +-
 .../source_mcpl_file/results_true.dat         |    2 +-
 .../sourcepoint_batch/results_true.dat        |    4 +-
 .../sourcepoint_latest/results_true.dat       |    2 +-
 .../sourcepoint_restart/results_true.dat      | 1578 ++++----
 .../statepoint_batch/__init__.py              |    0
 .../statepoint_batch/geometry.xml             |    8 -
 .../statepoint_batch/materials.xml            |    9 -
 .../statepoint_batch/results_true.dat         |    2 -
 .../statepoint_batch/settings.xml             |   17 -
 .../regression_tests/statepoint_batch/test.py |   18 -
 .../statepoint_restart/results_true.dat       | 2306 +++++------
 .../statepoint_sourcesep/results_true.dat     |    2 +-
 .../regression_tests/stride/results_true.dat  |    2 +-
 .../surface_source/surface_source_true.h5     |  Bin 106144 -> 106144 bytes
 .../surface_source/surface_source_true.mcpl   |  Bin 36071 -> 36120 bytes
 .../case-01/results_true.dat                  |    2 +-
 .../case-01/surface_source_true.h5            |  Bin 33344 -> 33344 bytes
 .../case-02/results_true.dat                  |    2 +-
 .../case-02/surface_source_true.h5            |  Bin 12752 -> 13896 bytes
 .../case-03/results_true.dat                  |    2 +-
 .../case-03/surface_source_true.h5            |  Bin 33344 -> 33344 bytes
 .../case-04/results_true.dat                  |    2 +-
 .../case-04/surface_source_true.h5            |  Bin 33344 -> 33344 bytes
 .../case-05/results_true.dat                  |    2 +-
 .../case-05/surface_source_true.h5            |  Bin 33344 -> 33344 bytes
 .../case-06/results_true.dat                  |    2 +-
 .../case-06/surface_source_true.h5            |  Bin 33344 -> 33344 bytes
 .../case-07/results_true.dat                  |    2 +-
 .../case-07/surface_source_true.h5            |  Bin 33344 -> 33344 bytes
 .../case-08/results_true.dat                  |    2 +-
 .../case-08/surface_source_true.h5            |  Bin 33344 -> 33344 bytes
 .../case-09/results_true.dat                  |    2 +-
 .../case-09/surface_source_true.h5            |  Bin 33344 -> 33344 bytes
 .../case-10/results_true.dat                  |    2 +-
 .../case-10/surface_source_true.h5            |  Bin 33344 -> 33344 bytes
 .../case-11/results_true.dat                  |    2 +-
 .../case-11/surface_source_true.h5            |  Bin 6408 -> 5160 bytes
 .../case-12/results_true.dat                  |    2 +-
 .../case-12/surface_source_true.h5            |  Bin 33344 -> 33344 bytes
 .../case-13/results_true.dat                  |    2 +-
 .../case-13/surface_source_true.h5            |  Bin 33344 -> 33344 bytes
 .../case-14/results_true.dat                  |    2 +-
 .../case-14/surface_source_true.h5            |  Bin 33344 -> 33344 bytes
 .../case-15/results_true.dat                  |    2 +-
 .../case-15/surface_source_true.h5            |  Bin 2144 -> 2144 bytes
 .../case-16/results_true.dat                  |    2 +-
 .../case-16/surface_source_true.h5            |  Bin 33344 -> 33344 bytes
 .../case-17/results_true.dat                  |    2 +-
 .../case-17/surface_source_true.h5            |  Bin 2144 -> 2144 bytes
 .../case-18/results_true.dat                  |    2 +-
 .../case-18/surface_source_true.h5            |  Bin 2144 -> 2144 bytes
 .../case-19/results_true.dat                  |    2 +-
 .../case-19/surface_source_true.h5            |  Bin 2144 -> 2144 bytes
 .../case-20/results_true.dat                  |    2 +-
 .../case-20/surface_source_true.h5            |  Bin 33344 -> 33344 bytes
 .../case-21/results_true.dat                  |    2 +-
 .../case-21/surface_source_true.h5            |  Bin 2144 -> 2144 bytes
 .../case-a01/results_true.dat                 |    2 +-
 .../case-a01/surface_source_true.h5           |  Bin 6616 -> 6720 bytes
 .../case-d01/results_true.dat                 |    2 +-
 .../case-d01/surface_source_true.h5           |  Bin 33344 -> 33344 bytes
 .../case-d02/results_true.dat                 |    2 +-
 .../case-d02/surface_source_true.h5           |  Bin 31472 -> 33344 bytes
 .../case-d03/results_true.dat                 |    2 +-
 .../case-d03/surface_source_true.h5           |  Bin 33344 -> 33344 bytes
 .../case-d04/results_true.dat                 |    2 +-
 .../case-d04/surface_source_true.h5           |  Bin 31472 -> 33344 bytes
 .../case-d05/results_true.dat                 |    2 +-
 .../case-d05/surface_source_true.h5           |  Bin 33344 -> 33344 bytes
 .../case-d06/results_true.dat                 |    2 +-
 .../case-d06/surface_source_true.h5           |  Bin 29496 -> 30744 bytes
 .../case-d07/results_true.dat                 |    2 +-
 .../case-d07/surface_source_true.h5           |  Bin 33344 -> 33344 bytes
 .../case-d08/results_true.dat                 |    2 +-
 .../case-d08/surface_source_true.h5           |  Bin 33344 -> 33344 bytes
 .../case-e01/results_true.dat                 |    2 +-
 .../case-e01/surface_source_true.h5           |  Bin 33344 -> 33344 bytes
 .../case-e02/results_true.dat                 |    2 +-
 .../case-e02/surface_source_true.h5           |  Bin 33344 -> 33344 bytes
 .../case-e03/results_true.dat                 |    2 +-
 .../case-e03/surface_source_true.h5           |  Bin 33344 -> 33344 bytes
 .../surface_tally/results_true.dat            |   82 +-
 .../survival_biasing/results_true.dat         |   34 +-
 .../regression_tests/tallies/results_true.dat |    2 +-
 .../tally_aggregation/results_true.dat        |  194 +-
 .../tally_arithmetic/results_true.dat         |   98 +-
 .../tally_assumesep/results_true.dat          |   14 +-
 .../tally_nuclides/results_true.dat           |   50 +-
 .../tally_slice_merge/results_true.dat        |  104 +-
 tests/regression_tests/torus/results_true.dat |    2 +-
 tests/regression_tests/trace/results_true.dat |    2 +-
 .../track_output/results_true.dat             |  144 +-
 .../translation/results_true.dat              |    2 +-
 .../trigger_batch_interval/results_true.dat   |   50 +-
 .../results_true.dat                          |   50 +-
 .../trigger_no_status/results_true.dat        |   50 +-
 .../inputs_true.dat                           |    2 +-
 .../results_true.dat                          |    6 +-
 .../trigger_statepoint_restart/test.py        |   10 +-
 .../trigger_tallies/results_true.dat          |   50 +-
 tests/regression_tests/triso/results_true.dat |    2 +-
 .../uniform_fs/results_true.dat               |    2 +-
 .../universe/results_true.dat                 |    2 +-
 .../white_plane/results_true.dat              |    2 +-
 tests/unit_tests/test_deplete_resultslist.py  |   20 +-
 tests/unit_tests/test_lib.py                  |   17 +-
 tests/unit_tests/test_settings.py             |    2 +
 tests/unit_tests/test_statepoint_batches.py   |   26 +
 241 files changed, 11472 insertions(+), 11352 deletions(-)
 create mode 100644 examples/pincell_pulsed/run_pulse.py
 delete mode 100644 tests/regression_tests/statepoint_batch/__init__.py
 delete mode 100644 tests/regression_tests/statepoint_batch/geometry.xml
 delete mode 100644 tests/regression_tests/statepoint_batch/materials.xml
 delete mode 100644 tests/regression_tests/statepoint_batch/results_true.dat
 delete mode 100644 tests/regression_tests/statepoint_batch/settings.xml
 delete mode 100644 tests/regression_tests/statepoint_batch/test.py
 create mode 100644 tests/unit_tests/test_statepoint_batches.py

diff --git a/docs/source/methods/neutron_physics.rst b/docs/source/methods/neutron_physics.rst
index fe8b8ad85..2b797e3db 100644
--- a/docs/source/methods/neutron_physics.rst
+++ b/docs/source/methods/neutron_physics.rst
@@ -290,7 +290,10 @@ create and store fission sites for the following generation. First, the average
 number of prompt and delayed neutrons must be determined to decide whether the
 secondary neutrons will be prompt or delayed. This is important because delayed
 neutrons have a markedly different spectrum from prompt neutrons, one that has a
-lower average energy of emission. The total number of neutrons emitted
+lower average energy of emission. Furthermore, in simulations where tracking
+time of neutrons is important, we need to consider the emission time delay of
+the secondary neutrons, which is dependent on the decay constant of the
+delayed neutron precursor. The total number of neutrons emitted
 :math:`\nu_t` is given as a function of incident energy in the ENDF format. Two
 representations exist for :math:`\nu_t`. The first is a polynomial of order
 :math:`N` with coefficients :math:`c_0,c_1,\dots,c_N`. If :math:`\nu_t` has this
@@ -306,8 +309,8 @@ interpolation law. The number of prompt neutrons released per fission event
 :math:`\nu_p` is also given as a function of incident energy and can be
 specified in a polynomial or tabular format. The number of delayed neutrons
 released per fission event :math:`\nu_d` can only be specified in a tabular
-format. In practice, we only need to determine :math:`nu_t` and
-:math:`nu_d`. Once these have been determined, we can calculated the delayed
+format. In practice, we only need to determine :math:`\nu_t` and
+:math:`\nu_d`. Once these have been determined, we can calculate the delayed
 neutron fraction
 
 .. math::
@@ -335,8 +338,14 @@ neutrons. Otherwise, we produce :math:`\lfloor \nu \rfloor + 1` neutrons. Then,
 for each fission site produced, we sample the outgoing angle and energy
 according to the algorithms given in :ref:`sample-angle` and
 :ref:`sample-energy` respectively. If the neutron is to be born delayed, then
-there is an extra step of sampling a delayed neutron precursor group since they
-each have an associated secondary energy distribution.
+there is an extra step of sampling a delayed neutron precursor group to get the
+associated secondary energy distribution and the decay constant
+:math:`\lambda`, which is needed to sample the emission delay time :math:`t_d`:
+
+.. math::
+    :label: sample-delay-time
+
+    t_d = -\frac{\ln \xi}{\lambda}.
 
 The sampled outgoing angle and energy of fission neutrons along with the
 position of the collision site are stored in an array called the fission
diff --git a/examples/pincell_pulsed/run_pulse.py b/examples/pincell_pulsed/run_pulse.py
new file mode 100644
index 000000000..b6a61ad3d
--- /dev/null
+++ b/examples/pincell_pulsed/run_pulse.py
@@ -0,0 +1,101 @@
+import matplotlib.pyplot as plt
+import numpy as np
+import openmc
+
+###############################################################################
+# Create materials for the problem
+
+uo2 = openmc.Material(name="UO2 fuel at 2.4% wt enrichment")
+uo2.set_density("g/cm3", 10.29769)
+uo2.add_element("U", 1.0, enrichment=2.4)
+uo2.add_element("O", 2.0)
+
+helium = openmc.Material(name="Helium for gap")
+helium.set_density("g/cm3", 0.001598)
+helium.add_element("He", 2.4044e-4)
+
+zircaloy = openmc.Material(name="Zircaloy 4")
+zircaloy.set_density("g/cm3", 6.55)
+zircaloy.add_element("Sn", 0.014, "wo")
+zircaloy.add_element("Fe", 0.00165, "wo")
+zircaloy.add_element("Cr", 0.001, "wo")
+zircaloy.add_element("Zr", 0.98335, "wo")
+
+borated_water = openmc.Material(name="Borated water")
+borated_water.set_density("g/cm3", 0.740582)
+borated_water.add_element("B", 2.0e-4)  # 3x the original pincell
+borated_water.add_element("H", 5.0e-2)
+borated_water.add_element("O", 2.4e-2)
+borated_water.add_s_alpha_beta("c_H_in_H2O")
+
+###############################################################################
+# Define problem geometry
+
+# Create cylindrical surfaces
+fuel_or = openmc.ZCylinder(r=0.39218, name="Fuel OR")
+clad_ir = openmc.ZCylinder(r=0.40005, name="Clad IR")
+clad_or = openmc.ZCylinder(r=0.45720, name="Clad OR")
+
+# Create a region represented as the inside of a rectangular prism
+pitch = 1.25984
+box = openmc.model.RectangularPrism(pitch, pitch, boundary_type="reflective")
+
+# Create cells, mapping materials to regions
+fuel = openmc.Cell(fill=uo2, region=-fuel_or)
+gap = openmc.Cell(fill=helium, region=+fuel_or & -clad_ir)
+clad = openmc.Cell(fill=zircaloy, region=+clad_ir & -clad_or)
+water = openmc.Cell(fill=borated_water, region=+clad_or & -box)
+
+# Create a model and assign geometry
+model = openmc.Model()
+model.geometry = openmc.Geometry([fuel, gap, clad, water])
+
+###############################################################################
+# Define problem settings
+
+# Set the mode
+model.settings.run_mode = "fixed source"
+
+# Indicate how many batches and particles to run
+model.settings.batches = 10
+model.settings.particles = 10000
+
+# Set time cutoff (we only care about t < 100 seconds, see tally below)
+model.settings.cutoff = {"time_neutron": 100}
+
+# Create the neutron pulse source (by default, isotropic direction, t=0)
+space = openmc.stats.Point()  # At the origin (0, 0, 0)
+energy = openmc.stats.delta_function(14.1e6)  # At 14.1 MeV
+model.settings.source = openmc.IndependentSource(space=space, energy=energy)
+
+###############################################################################
+# Define tallies
+
+# Create time filter
+t_grid = np.insert(np.logspace(-6, 2, 100), 0, 0.0)
+time_filter = openmc.TimeFilter(t_grid)
+
+# Tally for total neutron density in time
+density_tally = openmc.Tally(name="Density")
+density_tally.filters = [time_filter]
+density_tally.scores = ["inverse-velocity"]
+
+# Add tallies to model
+model.tallies = openmc.Tallies([density_tally])
+
+
+# Run the model
+model.run(apply_tally_results=True)
+
+# Bin-averaged result
+density_mean = density_tally.mean.ravel() / np.diff(t_grid)
+
+# Plot particle density versus time
+fig, ax = plt.subplots()
+ax.stairs(density_mean, t_grid)
+ax.set_xscale("log")
+ax.set_yscale("log")
+ax.set_xlabel("Time [s]")
+ax.set_ylabel("Total density")
+ax.grid()
+plt.show()
diff --git a/include/openmc/settings.h b/include/openmc/settings.h
index 069d94c3b..999b1b83f 100644
--- a/include/openmc/settings.h
+++ b/include/openmc/settings.h
@@ -150,6 +150,7 @@ extern double source_rejection_fraction; //!< Minimum fraction of source sites
 
 extern int
   max_history_splits; //!< maximum number of particle splits for weight windows
+extern int max_secondaries;       //!< maximum number of secondaries in the bank
 extern int64_t ssw_max_particles; //!< maximum number of particles to be
                                   //!< banked on surfaces per process
 extern int64_t ssw_max_files;     //!< maximum number of surface source files
diff --git a/openmc/settings.py b/openmc/settings.py
index ce3743ff5..7bbc31c19 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -128,6 +128,10 @@ class Settings:
         Maximum number of times a particle can split during a history
 
         .. versionadded:: 0.13
+    max_secondaries : int
+        Maximum secondary bank size
+
+        .. versionadded:: 0.15.3
     max_tracks : int
         Maximum number of tracks written to a track file (per MPI process).
 
@@ -431,6 +435,7 @@ class Settings:
         self._weight_window_checkpoints = {}
         self._max_history_splits = None
         self._max_tracks = None
+        self._max_secondaries = None
         self._use_decay_photons = None
 
         self._random_ray = {}
@@ -1137,6 +1142,16 @@ class Settings:
         cv.check_greater_than('max particle splits', value, 0)
         self._max_history_splits = value
 
+    @property
+    def max_secondaries(self) -> int:
+        return self._max_secondaries
+
+    @max_secondaries.setter
+    def max_secondaries(self, value: int):
+        cv.check_type('maximum secondary bank size', value, Integral)
+        cv.check_greater_than('max secondary bank size', value, 0)
+        self._max_secondaries = value
+
     @property
     def max_tracks(self) -> int:
         return self._max_tracks
@@ -1673,6 +1688,11 @@ class Settings:
             elem = ET.SubElement(root, "max_history_splits")
             elem.text = str(self._max_history_splits)
 
+    def _create_max_secondaries_subelement(self, root):
+        if self._max_secondaries is not None:
+            elem = ET.SubElement(root, "max_secondaries")
+            elem.text = str(self._max_secondaries)
+
     def _create_max_tracks_subelement(self, root):
         if self._max_tracks is not None:
             elem = ET.SubElement(root, "max_tracks")
@@ -2073,6 +2093,11 @@ class Settings:
         if text is not None:
             self.max_history_splits = int(text)
 
+    def _max_secondaries_from_xml_element(self, root):
+        text = get_text(root, 'max_secondaries')
+        if text is not None:
+            self.max_secondaries = int(text)
+
     def _max_tracks_from_xml_element(self, root):
         text = get_text(root, 'max_tracks')
         if text is not None:
@@ -2194,6 +2219,7 @@ class Settings:
         self._create_weight_window_checkpoints_subelement(element)
         self._create_max_history_splits_subelement(element)
         self._create_max_tracks_subelement(element)
+        self._create_max_secondaries_subelement(element)
         self._create_random_ray_subelement(element, mesh_memo)
         self._create_use_decay_photons_subelement(element)
         self._create_source_rejection_fraction_subelement(element)
@@ -2302,6 +2328,7 @@ class Settings:
         settings._weight_window_checkpoints_from_xml_element(elem)
         settings._max_history_splits_from_xml_element(elem)
         settings._max_tracks_from_xml_element(elem)
+        settings._max_secondaries_from_xml_element(elem)
         settings._random_ray_from_xml_element(elem)
         settings._use_decay_photons_from_xml_element(elem)
         settings._source_rejection_fraction_from_xml_element(elem)
diff --git a/src/eigenvalue.cpp b/src/eigenvalue.cpp
index 2685bbe98..a2120a006 100644
--- a/src/eigenvalue.cpp
+++ b/src/eigenvalue.cpp
@@ -127,30 +127,8 @@ void synchronize_bank()
       "No fission sites banked on MPI rank " + std::to_string(mpi::rank));
   }
 
-  // Make sure all processors start at the same point for random sampling. Then
-  // skip ahead in the sequence using the starting index in the 'global'
-  // fission bank for each processor.
-
-  int64_t id = simulation::total_gen + overall_generation();
-  uint64_t seed = init_seed(id, STREAM_TRACKING);
-  advance_prn_seed(start, &seed);
-
-  // Determine how many fission sites we need to sample from the source bank
-  // and the probability for selecting a site.
-
-  int64_t sites_needed;
-  if (total < settings::n_particles) {
-    sites_needed = settings::n_particles % total;
-  } else {
-    sites_needed = settings::n_particles;
-  }
-  double p_sample = static_cast<double>(sites_needed) / total;
-
   simulation::time_bank_sample.start();
 
-  // ==========================================================================
-  // SAMPLE N_PARTICLES FROM FISSION BANK AND PLACE IN TEMP_SITES
-
   // Allocate temporary source bank -- we don't really know how many fission
   // sites were created, so overallocate by a factor of 3
   int64_t index_temp = 0;
@@ -165,33 +143,38 @@ void synchronize_bank()
       temp_delayed_groups, temp_lifetimes, 3 * simulation::work_per_rank);
   }
 
-  for (int64_t i = 0; i < simulation::fission_bank.size(); i++) {
-    const auto& site = simulation::fission_bank[i];
+  // ==========================================================================
+  // SAMPLE N_PARTICLES FROM FISSION BANK AND PLACE IN TEMP_SITES
 
-    // If there are less than n_particles particles banked, automatically add
-    // int(n_particles/total) sites to temp_sites. For example, if you need
-    // 1000 and 300 were banked, this would add 3 source sites per banked site
-    // and the remaining 100 would be randomly sampled.
-    if (total < settings::n_particles) {
-      for (int64_t j = 1; j <= settings::n_particles / total; ++j) {
-        temp_sites[index_temp] = site;
-        if (settings::ifp_on) {
-          copy_ifp_data_from_fission_banks(
-            i, temp_delayed_groups[index_temp], temp_lifetimes[index_temp]);
-        }
-        ++index_temp;
-      }
-    }
+  // We use Uniform Combing method to exactly get the targeted particle size
+  // [https://doi.org/10.1080/00295639.2022.2091906]
 
-    // Randomly sample sites needed
-    if (prn(&seed) < p_sample) {
-      temp_sites[index_temp] = site;
-      if (settings::ifp_on) {
-        copy_ifp_data_from_fission_banks(
-          i, temp_delayed_groups[index_temp], temp_lifetimes[index_temp]);
-      }
-      ++index_temp;
+  // Make sure all processors use the same random number seed.
+  int64_t id = simulation::total_gen + overall_generation();
+  uint64_t seed = init_seed(id, STREAM_TRACKING);
+
+  // Comb specification
+  double teeth_distance = static_cast<double>(total) / settings::n_particles;
+  double teeth_offset = prn(&seed) * teeth_distance;
+
+  // First and last hitting tooth
+  int64_t end = start + simulation::fission_bank.size();
+  int64_t tooth_start = std::ceil((start - teeth_offset) / teeth_distance);
+  int64_t tooth_end = std::floor((end - teeth_offset) / teeth_distance) + 1;
+
+  // Locally comb particles in fission_bank
+  double tooth = tooth_start * teeth_distance + teeth_offset;
+  for (int64_t i = tooth_start; i < tooth_end; i++) {
+    int64_t idx = std::floor(tooth) - start;
+    temp_sites[index_temp] = simulation::fission_bank[idx];
+    if (settings::ifp_on) {
+      copy_ifp_data_from_fission_banks(
+        idx, temp_delayed_groups[index_temp], temp_lifetimes[index_temp]);
     }
+    ++index_temp;
+
+    // Next tooth
+    tooth += teeth_distance;
   }
 
   // At this point, the sampling of source sites is done and now we need to
@@ -217,37 +200,6 @@ void synchronize_bank()
   finish = index_temp;
 #endif
 
-  // Now that the sampling is complete, we need to ensure that we have exactly
-  // n_particles source sites. The way this is done in a reproducible manner is
-  // to adjust only the source sites on the last processor.
-
-  if (mpi::rank == mpi::n_procs - 1) {
-    if (finish > settings::n_particles) {
-      // If we have extra sites sampled, we will simply discard the extra
-      // ones on the last processor
-      index_temp = settings::n_particles - start;
-
-    } else if (finish < settings::n_particles) {
-      // If we have too few sites, repeat sites from the very end of the
-      // fission bank
-      sites_needed = settings::n_particles - finish;
-      // TODO: sites_needed > simulation::fission_bank.size() or other test to
-      // make sure we don't need info from other proc
-      for (int i = 0; i < sites_needed; ++i) {
-        int i_bank = simulation::fission_bank.size() - sites_needed + i;
-        temp_sites[index_temp] = simulation::fission_bank[i_bank];
-        if (settings::ifp_on) {
-          copy_ifp_data_from_fission_banks(i_bank,
-            temp_delayed_groups[index_temp], temp_lifetimes[index_temp]);
-        }
-        ++index_temp;
-      }
-    }
-
-    // the last processor should not be sending sites to right
-    finish = simulation::work_index[mpi::rank + 1];
-  }
-
   simulation::time_bank_sample.stop();
   simulation::time_bank_sendrecv.start();
 
diff --git a/src/finalize.cpp b/src/finalize.cpp
index e38b0b251..25b471a8b 100644
--- a/src/finalize.cpp
+++ b/src/finalize.cpp
@@ -92,6 +92,7 @@ int openmc_finalize()
   settings::max_lost_particles = 10;
   settings::max_order = 0;
   settings::max_particles_in_flight = 100000;
+  settings::max_secondaries = 10000;
   settings::max_particle_events = 1'000'000;
   settings::max_history_splits = 10'000'000;
   settings::max_tracks = 1000;
diff --git a/src/physics.cpp b/src/physics.cpp
index 8ad1b99d7..f667fd586 100644
--- a/src/physics.cpp
+++ b/src/physics.cpp
@@ -115,7 +115,7 @@ void sample_neutron_reaction(Particle& p)
 
       // Make sure particle population doesn't grow out of control for
       // subcritical multiplication problems.
-      if (p.secondary_bank().size() >= 10000) {
+      if (p.secondary_bank().size() >= settings::max_secondaries) {
         fatal_error(
           "The secondary particle bank appears to be growing without "
           "bound. You are likely running a subcritical multiplication problem "
@@ -210,13 +210,23 @@ void create_fission_sites(Particle& p, int i_nuclide, const Reaction& rx)
     site.particle = ParticleType::neutron;
     site.time = p.time();
     site.wgt = 1. / weight;
-    site.parent_id = p.id();
-    site.progeny_id = p.n_progeny()++;
     site.surf_id = 0;
 
     // Sample delayed group and angle/energy for fission reaction
     sample_fission_neutron(i_nuclide, rx, &site, p);
 
+    // Reject site if it exceeds time cutoff
+    if (site.delayed_group > 0) {
+      double t_cutoff = settings::time_cutoff[static_cast<int>(site.particle)];
+      if (site.time > t_cutoff) {
+        continue;
+      }
+    }
+
+    // Set parent and progeny IDs
+    site.parent_id = p.id();
+    site.progeny_id = p.n_progeny()++;
+
     // Store fission site in bank
     if (use_fission_bank) {
       int64_t idx = simulation::fission_bank.thread_safe_append(site);
@@ -1069,6 +1079,10 @@ void sample_fission_neutron(
     // set the delayed group for the particle born from fission
     site->delayed_group = group;
 
+    // Sample time of emission based on decay constant of precursor
+    double decay_rate = rx.products_[site->delayed_group].decay_rate_;
+    site->time -= std::log(prn(p.current_seed())) / decay_rate;
+
   } else {
     // ====================================================================
     // PROMPT NEUTRON SAMPLED
diff --git a/src/physics_mg.cpp b/src/physics_mg.cpp
index 5ebef9c14..4c28cb179 100644
--- a/src/physics_mg.cpp
+++ b/src/physics_mg.cpp
@@ -139,8 +139,6 @@ void create_fission_sites(Particle& p)
     site.particle = ParticleType::neutron;
     site.time = p.time();
     site.wgt = 1. / weight;
-    site.parent_id = p.id();
-    site.progeny_id = p.n_progeny()++;
 
     // Sample the cosine of the angle, assuming fission neutrons are emitted
     // isotropically
@@ -165,6 +163,24 @@ void create_fission_sites(Particle& p)
     // of the code, 0 is prompt.
     site.delayed_group = dg + 1;
 
+    // If delayed product production, sample time of emission
+    if (dg != -1) {
+      auto& macro_xs = data::mg.macro_xs_[p.material()];
+      double decay_rate =
+        macro_xs.get_xs(MgxsType::DECAY_RATE, 0, nullptr, nullptr, &dg, 0, 0);
+      site.time -= std::log(prn(p.current_seed())) / decay_rate;
+
+      // Reject site if it exceeds time cutoff
+      double t_cutoff = settings::time_cutoff[static_cast<int>(site.particle)];
+      if (site.time > t_cutoff) {
+        continue;
+      }
+    }
+
+    // Set parent and progeny ID
+    site.parent_id = p.id();
+    site.progeny_id = p.n_progeny()++;
+
     // Store fission site in bank
     if (use_fission_bank) {
       int64_t idx = simulation::fission_bank.thread_safe_append(site);
diff --git a/src/settings.cpp b/src/settings.cpp
index afa42a3c5..03d42bb9d 100644
--- a/src/settings.cpp
+++ b/src/settings.cpp
@@ -114,6 +114,7 @@ int max_order {0};
 int n_log_bins {8000};
 int n_batches;
 int n_max_batches;
+int max_secondaries {10000};
 int max_history_splits {10'000'000};
 int max_tracks {1000};
 ResScatMethod res_scat_method {ResScatMethod::rvs};
@@ -1144,6 +1145,11 @@ void read_settings_xml(pugi::xml_node root)
     weight_windows_on = get_node_value_bool(root, "weight_windows_on");
   }
 
+  if (check_for_node(root, "max_secondaries")) {
+    settings::max_secondaries =
+      std::stoi(get_node_value(root, "max_secondaries"));
+  }
+
   if (check_for_node(root, "max_history_splits")) {
     settings::max_history_splits =
       std::stoi(get_node_value(root, "max_history_splits"));
diff --git a/src/tallies/tally_scoring.cpp b/src/tallies/tally_scoring.cpp
index f078a5c6e..0df80a239 100644
--- a/src/tallies/tally_scoring.cpp
+++ b/src/tallies/tally_scoring.cpp
@@ -1624,8 +1624,7 @@ void score_general_mg(Particle& p, int i_tally, int start_index,
       tally.estimator_ == TallyEstimator::COLLISION) {
     if (settings::survival_biasing) {
       // Determine weight that was absorbed
-      wgt_absorb = p.wgt_last() * p.neutron_xs(p.event_nuclide()).absorption /
-                   p.neutron_xs(p.event_nuclide()).total;
+      wgt_absorb = p.wgt_last() * p.macro_xs().absorption / p.macro_xs().total;
 
       // Then we either are alive and had a scatter (and so g changed),
       // or are dead and g did not change
diff --git a/tests/regression_tests/adj_cell_rotation/results_true.dat b/tests/regression_tests/adj_cell_rotation/results_true.dat
index b3df12e71..ddb1546b5 100644
--- a/tests/regression_tests/adj_cell_rotation/results_true.dat
+++ b/tests/regression_tests/adj_cell_rotation/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-4.403987E-01 1.514158E-03
+4.368327E-01 1.953533E-03
diff --git a/tests/regression_tests/albedo_box/results_true.dat b/tests/regression_tests/albedo_box/results_true.dat
index 0f571f245..dca80abcd 100644
--- a/tests/regression_tests/albedo_box/results_true.dat
+++ b/tests/regression_tests/albedo_box/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-1.590800E+00 4.251788E-03
+1.593206E+00 2.925742E-03
diff --git a/tests/regression_tests/asymmetric_lattice/results_true.dat b/tests/regression_tests/asymmetric_lattice/results_true.dat
index 741327d80..3d6b610a6 100644
--- a/tests/regression_tests/asymmetric_lattice/results_true.dat
+++ b/tests/regression_tests/asymmetric_lattice/results_true.dat
@@ -1 +1 @@
-b0ca1fb0436732188b1a199b3250ca9a33782f8fc379b0f7ff9c582e0c794b0a0470df063cafd0b05e802b26f61eaaf9ff5c0a8a672a933246acf49eed3ebf9f
\ No newline at end of file
+cc76769636be4f681137598cf366e978d7347425a1dfa1b293d17a28381b2b62595fb7f0d2f126dd06972ff9e79089a18dd53aba45fa2b1f316515b91fe6495a
\ No newline at end of file
diff --git a/tests/regression_tests/cmfd_feed/results_true.dat b/tests/regression_tests/cmfd_feed/results_true.dat
index f5f22d9ac..1ef9624d4 100644
--- a/tests/regression_tests/cmfd_feed/results_true.dat
+++ b/tests/regression_tests/cmfd_feed/results_true.dat
@@ -1,117 +1,117 @@
 k-combined:
-1.164262E+00 9.207592E-03
+1.181723E+00 9.944883E-03
 tally 1:
-1.156972E+01
-1.339924E+01
-2.136306E+01
-4.567185E+01
-2.859527E+01
-8.195821E+01
-3.470754E+01
-1.207851E+02
-3.766403E+01
-1.422263E+02
-3.778821E+01
-1.432660E+02
-3.573197E+01
-1.278854E+02
-2.849979E+01
-8.135515E+01
-2.073803E+01
-4.303374E+01
-1.112117E+01
-1.242944E+01
+1.169899E+01
+1.373251E+01
+2.142380E+01
+4.605511E+01
+2.968085E+01
+8.838716E+01
+3.561418E+01
+1.271206E+02
+3.777783E+01
+1.428817E+02
+3.805832E+01
+1.450213E+02
+3.439836E+01
+1.184892E+02
+2.852438E+01
+8.161896E+01
+2.088423E+01
+4.376204E+01
+1.076670E+01
+1.168108E+01
 tally 2:
-2.388054E+01
-2.875255E+01
-1.667791E+01
-1.403426E+01
-4.224771E+01
-8.942109E+01
-2.993088E+01
-4.490335E+01
-5.689839E+01
-1.625557E+02
-4.043633E+01
-8.212299E+01
-6.764024E+01
-2.297126E+02
-4.807902E+01
-1.161468E+02
-7.314835E+01
-2.684645E+02
-5.203584E+01
-1.359261E+02
-7.375727E+01
-2.733105E+02
-5.252944E+01
-1.386205E+02
-6.909571E+01
-2.397721E+02
-4.922548E+01
-1.217465E+02
-5.685978E+01
-1.621746E+02
-4.051938E+01
-8.237277E+01
-4.185562E+01
-8.784067E+01
-2.983570E+01
-4.467414E+01
-2.238373E+01
-2.520356E+01
-1.566758E+01
-1.234103E+01
+2.321241E+01
+2.702156E+01
+1.620912E+01
+1.317752E+01
+4.197404E+01
+8.845008E+01
+2.982666E+01
+4.469221E+01
+5.810089E+01
+1.695857E+02
+4.134123E+01
+8.588866E+01
+6.982488E+01
+2.447068E+02
+4.966939E+01
+1.238763E+02
+7.428421E+01
+2.767613E+02
+5.287955E+01
+1.403163E+02
+7.447402E+01
+2.785012E+02
+5.324628E+01
+1.423393E+02
+6.895164E+01
+2.381937E+02
+4.916366E+01
+1.211701E+02
+5.679253E+01
+1.617881E+02
+4.043125E+01
+8.204061E+01
+4.218618E+01
+8.933666E+01
+2.978592E+01
+4.456592E+01
+2.196426E+01
+2.435867E+01
+1.525576E+01
+1.175879E+01
 tally 3:
-1.609520E+01
-1.307542E+01
-1.033429E+00
-5.510889E-02
-2.877073E+01
-4.149542E+01
-1.964219E+00
-1.954692E-01
-3.896816E+01
-7.629752E+01
-2.484053E+00
-3.103733E-01
-4.634285E+01
-1.079367E+02
-2.974750E+00
-4.468223E-01
-5.007964E+01
-1.259202E+02
-3.181802E+00
-5.103621E-01
-5.058915E+01
-1.286193E+02
-3.249442E+00
-5.337712E-01
-4.744464E+01
-1.131026E+02
-3.067644E+00
-4.736335E-01
-3.900632E+01
-7.634433E+01
-2.443552E+00
-3.028060E-01
-2.874166E+01
-4.146375E+01
-1.810421E+00
-1.671667E-01
-1.509222E+01
-1.145579E+01
-1.014919E+00
-5.391053E-02
+1.563788E+01
+1.226528E+01
+1.053289E+00
+5.666942E-02
+2.870755E+01
+4.139654E+01
+1.838017E+00
+1.710528E-01
+3.978616E+01
+7.955764E+01
+2.560657E+00
+3.334449E-01
+4.780385E+01
+1.147770E+02
+3.139243E+00
+4.967628E-01
+5.106650E+01
+1.308704E+02
+3.170056E+00
+5.078920E-01
+5.123992E+01
+1.318586E+02
+3.211706E+00
+5.205979E-01
+4.729862E+01
+1.121695E+02
+3.068662E+00
+4.749488E-01
+3.898816E+01
+7.630564E+01
+2.516911E+00
+3.199696E-01
+2.865357E+01
+4.125742E+01
+1.852314E+00
+1.741116E-01
+1.467340E+01
+1.088460E+01
+9.268633E-01
+4.450662E-02
 tally 4:
-3.148231E+00
-4.974555E-01
+3.029754E+00
+4.613561E-01
 0.000000E+00
 0.000000E+00
-2.805439E+00
-3.982239E-01
-5.574031E+00
-1.561105E+00
+2.832501E+00
+4.049252E-01
+5.517243E+00
+1.527794E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -128,14 +128,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-5.574031E+00
-1.561105E+00
-2.805439E+00
-3.982239E-01
-5.171038E+00
-1.344877E+00
-7.372031E+00
-2.725420E+00
+5.517243E+00
+1.527794E+00
+2.832501E+00
+4.049252E-01
+5.117178E+00
+1.316972E+00
+7.333303E+00
+2.701677E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -152,14 +152,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-7.372031E+00
-2.725420E+00
-5.171038E+00
-1.344877E+00
-6.946847E+00
-2.424850E+00
-8.496610E+00
-3.627542E+00
+7.333303E+00
+2.701677E+00
+5.117178E+00
+1.316972E+00
+7.248464E+00
+2.641591E+00
+8.817788E+00
+3.905530E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -176,14 +176,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-8.496610E+00
-3.627542E+00
-6.946847E+00
-2.424850E+00
-8.479501E+00
-3.607280E+00
-9.261869E+00
-4.305912E+00
+8.817788E+00
+3.905530E+00
+7.248464E+00
+2.641591E+00
+8.646465E+00
+3.749847E+00
+9.460948E+00
+4.495388E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -200,14 +200,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-9.261869E+00
-4.305912E+00
-8.479501E+00
-3.607280E+00
-9.232858E+00
-4.278432E+00
-9.306384E+00
-4.348594E+00
+9.460948E+00
+4.495388E+00
+8.646465E+00
+3.749847E+00
+9.379341E+00
+4.415049E+00
+9.278640E+00
+4.320720E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -224,14 +224,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-9.306384E+00
-4.348594E+00
-9.232858E+00
-4.278432E+00
-9.299764E+00
-4.347828E+00
-8.511976E+00
-3.639893E+00
+9.278640E+00
+4.320720E+00
+9.379341E+00
+4.415049E+00
+9.465746E+00
+4.498591E+00
+8.656146E+00
+3.760545E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -248,14 +248,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-8.511976E+00
-3.639893E+00
-9.299764E+00
-4.347828E+00
-8.726086E+00
-3.819567E+00
-7.147277E+00
-2.562747E+00
+8.656146E+00
+3.760545E+00
+9.465746E+00
+4.498591E+00
+8.589782E+00
+3.700308E+00
+6.996002E+00
+2.456935E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -272,14 +272,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-7.147277E+00
-2.562747E+00
-8.726086E+00
-3.819567E+00
-7.218790E+00
-2.612243E+00
-5.018287E+00
-1.263077E+00
+6.996002E+00
+2.456935E+00
+8.589782E+00
+3.700308E+00
+7.352050E+00
+2.714808E+00
+5.105164E+00
+1.312559E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -296,14 +296,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-5.018287E+00
-1.263077E+00
-7.218790E+00
-2.612243E+00
-5.443494E+00
-1.487018E+00
-2.732334E+00
-3.773047E-01
+5.105164E+00
+1.312559E+00
+7.352050E+00
+2.714808E+00
+5.442756E+00
+1.486776E+00
+2.697305E+00
+3.675580E-01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -320,12 +320,12 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-2.732334E+00
-3.773047E-01
-5.443494E+00
-1.487018E+00
-3.044773E+00
-4.655756E-01
+2.697305E+00
+3.675580E-01
+5.442756E+00
+1.486776E+00
+3.017025E+00
+4.571443E-01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -345,144 +345,144 @@ tally 4:
 0.000000E+00
 0.000000E+00
 tally 5:
-1.609029E+01
-1.306718E+01
-2.230601E+00
-2.559496E-01
-2.876780E+01
-4.148686E+01
-3.835952E+00
-7.456562E-01
-3.895738E+01
-7.625344E+01
-4.841024E+00
-1.197335E+00
-4.633595E+01
-1.079043E+02
-6.236821E+00
-1.963311E+00
-5.007472E+01
-1.258967E+02
-6.749745E+00
-2.297130E+00
-5.058336E+01
-1.285894E+02
-6.727612E+00
-2.315656E+00
-4.743869E+01
-1.130735E+02
-6.338193E+00
-2.042159E+00
-3.899838E+01
-7.631289E+01
-5.187573E+00
-1.359733E+00
-2.873434E+01
-4.144233E+01
-3.815610E+00
-7.367619E-01
-1.509020E+01
-1.145268E+01
-2.125767E+00
-2.341894E-01
+1.563588E+01
+1.226217E+01
+2.209027E+00
+2.507131E-01
+2.870034E+01
+4.137550E+01
+3.726620E+00
+7.021948E-01
+3.977762E+01
+7.952285E+01
+5.304975E+00
+1.427333E+00
+4.779747E+01
+1.147456E+02
+6.528302E+00
+2.151715E+00
+5.105366E+01
+1.308037E+02
+6.986782E+00
+2.467487E+00
+5.123380E+01
+1.318264E+02
+6.845633E+00
+2.383542E+00
+4.729296E+01
+1.121433E+02
+6.252695E+00
+1.977351E+00
+3.898236E+01
+7.628315E+01
+5.461495E+00
+1.528579E+00
+2.864576E+01
+4.123538E+01
+3.857301E+00
+7.581323E-01
+1.467047E+01
+1.088031E+01
+2.277024E+00
+2.679801E-01
 cmfd indices
 1.000000E+01
 1.000000E+00
 1.000000E+00
 1.000000E+00
 k cmfd
-1.129918E+00
-1.143848E+00
-1.147976E+00
-1.151534E+00
-1.152378E+00
-1.148219E+00
-1.150402E+00
-1.154647E+00
-1.156159E+00
-1.160048E+00
-1.167441E+00
-1.168163E+00
-1.168629E+00
-1.164120E+00
-1.165051E+00
-1.169177E+00
+1.169107E+00
+1.175079E+00
+1.173912E+00
+1.175368E+00
+1.174026E+00
+1.181745E+00
+1.182261E+00
+1.183559E+00
+1.178691E+00
+1.179222E+00
+1.179017E+00
+1.172979E+00
+1.175043E+00
+1.173458E+00
+1.174152E+00
+1.171451E+00
 cmfd entropy
-3.224769E+00
-3.225945E+00
-3.227421E+00
-3.226174E+00
-3.224429E+00
-3.227049E+00
-3.230710E+00
-3.230315E+00
-3.226825E+00
-3.226655E+00
-3.226588E+00
-3.224155E+00
-3.223246E+00
-3.222640E+00
-3.223920E+00
-3.222838E+00
+3.207640E+00
+3.210547E+00
+3.212218E+00
+3.209573E+00
+3.211619E+00
+3.212126E+00
+3.213163E+00
+3.214288E+00
+3.215737E+00
+3.213677E+00
+3.214925E+00
+3.215612E+00
+3.216708E+00
+3.221454E+00
+3.219048E+00
+3.218387E+00
 cmfd balance
-3.90454E-03
-4.08089E-03
-3.46511E-03
-4.09535E-03
-2.62009E-03
-2.23559E-03
-2.54033E-03
-2.12799E-03
-2.25864E-03
-1.85766E-03
-1.49916E-03
-1.63471E-03
-1.48377E-03
-1.59800E-03
-1.37354E-03
-1.32853E-03
+4.88208E-03
+4.75139E-03
+3.15783E-03
+3.67091E-03
+2.99797E-03
+2.91060E-03
+2.06576E-03
+1.83482E-03
+1.56292E-03
+1.58659E-03
+2.32986E-03
+1.47376E-03
+1.46673E-03
+1.22627E-03
+1.31963E-03
+1.26456E-03
 cmfd dominance ratio
-5.539E-01
-5.537E-01
-5.536E-01
-5.515E-01
-5.512E-01
-5.514E-01
-5.518E-01
-5.507E-01
-5.500E-01
-5.497E-01
-5.477E-01
-5.461E-01
-5.444E-01
-5.445E-01
-5.454E-01
+5.467E-01
+5.453E-01
+5.458E-01
+5.436E-01
+5.442E-01
+5.406E-01
+5.401E-01
+5.413E-01
+4.995E-01
+5.396E-01
+5.409E-01
+5.414E-01
+5.423E-01
+5.456E-01
+5.442E-01
 5.441E-01
 cmfd openmc source comparison
-9.875240E-03
-1.106163E-02
-9.847628E-03
-6.065921E-03
-5.772039E-03
-4.615656E-03
-4.244331E-03
-3.694299E-03
-3.545814E-03
-3.213063E-03
-3.467537E-03
-3.383489E-03
-3.697591E-03
-3.937358E-03
-3.369124E-03
-3.190359E-03
+9.587418E-03
+8.150978E-03
+6.677661E-03
+6.334727E-03
+5.153692E-03
+5.082964E-03
+4.633153E-03
+4.037383E-03
+3.528742E-03
+4.559089E-03
+3.517370E-03
+3.306117E-03
+2.913809E-03
+1.906045E-03
+1.932794E-03
+1.711341E-03
 cmfd source
-4.360494E-02
-8.397599E-02
-1.074181E-01
-1.294531E-01
-1.385611E-01
-1.407934E-01
-1.325191E-01
-1.044311E-01
-7.660359E-02
-4.263941E-02
+4.496492E-02
+7.869674E-02
+1.100280E-01
+1.354045E-01
+1.363339E-01
+1.380533E-01
+1.314512E-01
+1.077480E-01
+7.847306E-02
+3.884630E-02
diff --git a/tests/regression_tests/cmfd_feed_2g/results_true.dat b/tests/regression_tests/cmfd_feed_2g/results_true.dat
index 2b61d9f4e..e66eae13c 100644
--- a/tests/regression_tests/cmfd_feed_2g/results_true.dat
+++ b/tests/regression_tests/cmfd_feed_2g/results_true.dat
@@ -1,112 +1,112 @@
 k-combined:
-1.035567E+00 9.463160E-03
+1.027434E+00 6.509170E-03
 tally 1:
-1.146535E+02
-1.315267E+03
-1.157458E+02
-1.340166E+03
-1.140491E+02
-1.301364E+03
-1.146589E+02
-1.315433E+03
+1.162758E+02
+1.352562E+03
+1.138125E+02
+1.295815E+03
+1.143712E+02
+1.308316E+03
+1.150293E+02
+1.323834E+03
 tally 2:
-4.319968E+01
-9.360083E+01
-6.373035E+01
-2.038056E+02
-1.889646E+02
-1.812892E+03
-1.024866E+02
-5.254528E+02
-4.323262E+01
-9.360200E+01
-6.363111E+01
-2.028178E+02
-1.849746E+02
-1.711533E+03
-1.034532E+02
-5.352768E+02
-4.296541E+01
-9.249656E+01
-6.346919E+01
-2.018659E+02
-1.888697E+02
-1.812037E+03
-1.025707E+02
-5.262261E+02
-4.691085E+01
-1.269707E+02
-6.299377E+01
-1.990497E+02
-1.853864E+02
-1.719984E+03
-1.023015E+02
-5.235858E+02
+4.284580E+01
+9.207089E+01
+6.335165E+01
+2.014931E+02
+1.894187E+02
+1.818190E+03
+1.033212E+02
+5.340768E+02
+4.282771E+01
+9.186295E+01
+6.295029E+01
+1.983895E+02
+1.834276E+02
+1.684375E+03
+1.022482E+02
+5.228403E+02
+4.330690E+01
+9.402038E+01
+6.395965E+01
+2.053163E+02
+1.851113E+02
+1.714198E+03
+1.030809E+02
+5.314535E+02
+4.337097E+01
+9.426435E+01
+6.417590E+01
+2.063443E+02
+1.846817E+02
+1.706518E+03
+1.027233E+02
+5.279582E+02
 tally 3:
-6.034963E+01
-1.827718E+02
+5.992726E+01
+1.803120E+02
 0.000000E+00
 0.000000E+00
-1.865665E-02
-4.244195E-05
-4.170941E+00
-8.769372E-01
-3.453368E+00
-5.989168E-01
+2.172646E-02
+4.414237E-05
+4.181401E+00
+8.912796E-01
+3.536506E+00
+6.287425E-01
 0.000000E+00
 0.000000E+00
-9.743205E+01
-4.749420E+02
-8.570316E-01
-3.807993E-02
-6.005903E+01
-1.807233E+02
+9.824432E+01
+4.828691E+02
+9.116848E-01
+4.231247E-02
+5.955090E+01
+1.775522E+02
 0.000000E+00
 0.000000E+00
-1.885450E-02
-3.653402E-05
-4.323863E+00
-9.447512E-01
-3.465465E+00
-6.022861E-01
+1.893222E-02
+3.288000E-05
+4.048183E+00
+8.291130E-01
+3.384041E+00
+5.742363E-01
 0.000000E+00
 0.000000E+00
-9.843481E+01
-4.846158E+02
-9.048150E-01
-4.205551E-02
-5.996660E+01
-1.802150E+02
+9.734253E+01
+4.738861E+02
+9.157632E-01
+4.329280E-02
+6.045835E+01
+1.835255E+02
 0.000000E+00
 0.000000E+00
-1.221444E-02
-2.263445E-05
-4.301287E+00
-9.309882E-01
-3.456076E+00
-5.992144E-01
+1.501842E-02
+1.896931E-05
+4.289989E+00
+9.251538E-01
+3.481357E+00
+6.071667E-01
 0.000000E+00
 0.000000E+00
-9.761231E+01
-4.765834E+02
-8.434644E-01
-3.728180E-02
-5.961891E+01
-1.783106E+02
+9.799829E+01
+4.803591E+02
+8.899390E-01
+4.078750E-02
+6.064531E+01
+1.842746E+02
 0.000000E+00
 0.000000E+00
-1.500709E-02
-3.541280E-05
-4.155669E+00
-8.713442E-01
-3.455342E+00
-6.006426E-01
+1.495496E-02
+3.082640E-05
+4.321537E+00
+9.371611E-01
+3.453767E+00
+5.983727E-01
 0.000000E+00
 0.000000E+00
-9.726798E+01
-4.733393E+02
-9.202611E-01
-4.390503E-02
+9.771776E+01
+4.777781E+02
+8.975444E-01
+4.157471E-02
 tally 4:
 0.000000E+00
 0.000000E+00
@@ -116,14 +116,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-8.943264E+00
-4.008855E+00
-3.661063E+01
-6.704808E+01
-8.945553E+00
-4.011707E+00
-3.696832E+01
-6.835286E+01
+8.840487E+00
+3.915792E+00
+3.700362E+01
+6.851588E+01
+8.756789E+00
+3.844443E+00
+3.672366E+01
+6.747174E+01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -132,14 +132,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-8.844569E+00
-3.924591E+00
-3.666726E+01
-6.726522E+01
-8.769637E+00
-3.855006E+00
-3.654115E+01
-6.680777E+01
+8.860460E+00
+3.940908E+00
+3.704658E+01
+6.864069E+01
+8.832046E+00
+3.916611E+00
+3.736239E+01
+6.982147E+01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -156,14 +156,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-8.945553E+00
-4.011707E+00
-3.696832E+01
-6.835286E+01
-8.943264E+00
-4.008855E+00
-3.661063E+01
-6.704808E+01
+8.756789E+00
+3.844443E+00
+3.672366E+01
+6.747174E+01
+8.840487E+00
+3.915792E+00
+3.700362E+01
+6.851588E+01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -180,14 +180,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-8.648474E+00
-3.752219E+00
-3.689442E+01
-6.808997E+01
-8.757378E+00
-3.850408E+00
-3.716920E+01
-6.909715E+01
+8.892576E+00
+3.964978E+00
+3.703525E+01
+6.860645E+01
+8.824229E+00
+3.906925E+00
+3.685909E+01
+6.796123E+01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -212,22 +212,22 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-8.783669E+00
-3.870748E+00
-3.687358E+01
-6.802581E+01
-8.755250E+00
-3.846298E+00
-3.660278E+01
-6.704349E+01
-8.769637E+00
-3.855006E+00
-3.654115E+01
-6.680777E+01
-8.844569E+00
-3.924591E+00
-3.666726E+01
-6.726522E+01
+9.050876E+00
+4.111409E+00
+3.656082E+01
+6.687580E+01
+9.042402E+00
+4.105842E+00
+3.687247E+01
+6.801050E+01
+8.832046E+00
+3.916611E+00
+3.736239E+01
+6.982147E+01
+8.860460E+00
+3.940908E+00
+3.704658E+01
+6.864069E+01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -252,14 +252,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-8.755250E+00
-3.846298E+00
-3.660278E+01
-6.704349E+01
-8.783669E+00
-3.870748E+00
-3.687358E+01
-6.802581E+01
+9.042402E+00
+4.105842E+00
+3.687247E+01
+6.801050E+01
+9.050876E+00
+4.111409E+00
+3.656082E+01
+6.687580E+01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -268,14 +268,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-8.757378E+00
-3.850408E+00
-3.716920E+01
-6.909715E+01
-8.648474E+00
-3.752219E+00
-3.689442E+01
-6.808997E+01
+8.824229E+00
+3.906925E+00
+3.685909E+01
+6.796123E+01
+8.892576E+00
+3.964978E+00
+3.703525E+01
+6.860645E+01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -301,133 +301,133 @@ tally 4:
 0.000000E+00
 0.000000E+00
 tally 5:
-6.036829E+01
-1.828885E+02
-1.008777E+02
-5.091033E+02
-1.353211E+01
-9.188155E+00
-4.618716E+01
-1.067410E+02
-6.007789E+01
-1.808371E+02
-1.018892E+02
-5.192269E+02
-1.357961E+01
-9.247052E+00
-4.618560E+01
-1.067058E+02
-5.997882E+01
-1.802895E+02
-1.010597E+02
-5.108478E+02
-1.374955E+01
-9.502494E+00
-4.619500E+01
-1.067547E+02
-5.963392E+01
-1.783999E+02
-1.007134E+02
-5.074700E+02
-1.319398E+01
-8.734106E+00
-4.586295E+01
-1.052870E+02
+5.994898E+01
+1.804403E+02
+1.017670E+02
+5.181130E+02
+1.354160E+01
+9.220935E+00
+4.648971E+01
+1.081636E+02
+5.956983E+01
+1.776668E+02
+1.007226E+02
+5.073592E+02
+1.347883E+01
+9.120344E+00
+4.609907E+01
+1.063127E+02
+6.047337E+01
+1.836168E+02
+1.014777E+02
+5.150557E+02
+1.390508E+01
+9.722899E+00
+4.629251E+01
+1.072027E+02
+6.066027E+01
+1.843661E+02
+1.011648E+02
+5.120629E+02
+1.365982E+01
+9.372236E+00
+4.602994E+01
+1.060579E+02
 cmfd indices
 2.000000E+00
 2.000000E+00
 1.000000E+00
 2.000000E+00
 k cmfd
-1.018115E+00
-1.022665E+00
-1.020323E+00
-1.020653E+00
-1.021036E+00
-1.020623E+00
-1.021482E+00
-1.025450E+00
-1.027292E+00
-1.028065E+00
-1.027065E+00
-1.024275E+00
-1.025309E+00
-1.026039E+00
-1.026700E+00
-1.023865E+00
+1.013488E+00
+1.024396E+00
+1.015533E+00
+1.009319E+00
+1.012726E+00
+1.014831E+00
+1.021757E+00
+1.022002E+00
+1.023619E+00
+1.020953E+00
+1.023910E+00
+1.027657E+00
+1.024501E+00
+1.023838E+00
+1.025464E+00
+1.022802E+00
 cmfd entropy
-1.998965E+00
-1.999214E+00
-1.999348E+00
-1.999366E+00
-1.999564E+00
-1.999453E+00
-1.999533E+00
-1.999630E+00
-1.999739E+00
-1.999588E+00
-1.999581E+00
-1.999719E+00
-1.999773E+00
-1.999764E+00
-1.999821E+00
-1.999843E+00
+1.998974E+00
+1.998742E+00
+1.999128E+00
+1.998952E+00
+1.998951E+00
+1.999439E+00
+1.999626E+00
+1.999826E+00
+1.999513E+00
+1.999451E+00
+1.999514E+00
+1.999590E+00
+1.999563E+00
+1.999604E+00
+1.999742E+00
+1.999736E+00
 cmfd balance
-5.73174E-04
-7.55398E-04
-1.46671E-03
-6.39625E-04
-8.19008E-04
-1.93449E-03
-1.15900E-03
-1.01690E-03
-5.62788E-04
-6.90450E-04
-6.01060E-04
-5.73418E-04
-4.37190E-04
-4.82966E-04
-4.09700E-04
-3.45096E-04
+9.79896E-04
+4.24873E-04
+8.05696E-04
+1.92071E-03
+3.70731E-04
+2.81424E-04
+8.28991E-04
+6.12217E-04
+5.29185E-04
+4.97799E-04
+3.09154E-04
+1.73703E-04
+2.56689E-04
+2.64938E-04
+1.96305E-04
+1.82702E-04
 cmfd dominance ratio
-6.264E-03
-6.142E-03
-5.987E-03
-6.082E-03
-5.895E-03
-5.939E-03
-5.910E-03
-5.948E-03
-6.013E-03
-6.017E-03
-6.024E-03
-6.008E-03
-5.976E-03
-5.987E-03
-5.967E-03
-5.929E-03
+6.304E-03
+6.246E-03
+6.159E-03
+6.249E-03
+6.101E-03
+6.155E-03
+6.010E-03
+6.177E-03
+6.349E-03
+6.241E-03
+6.244E-03
+6.249E-03
+6.270E-03
+6.272E-03
+6.278E-03
+6.290E-03
 cmfd openmc source comparison
-4.832872E-05
-6.552342E-05
-7.516800E-05
-7.916087E-05
-9.022260E-05
-8.574478E-05
-7.891622E-05
-7.281636E-05
-7.750571E-05
-6.565408E-05
-6.078665E-05
-5.834343E-05
-4.758176E-05
-5.723990E-05
-4.994116E-05
-4.116808E-05
+4.046094E-05
+5.979431E-05
+3.836521E-05
+4.577591E-05
+5.012911E-05
+2.114677E-05
+2.074571E-05
+3.042280E-05
+2.408163E-05
+2.434542E-05
+1.190699E-05
+9.499301E-06
+2.354221E-05
+2.937924E-05
+1.889875E-05
+1.913866E-05
 cmfd source
-2.455663E-01
-2.553511E-01
-2.512257E-01
-2.478570E-01
+2.489706E-01
+2.426801E-01
+2.532142E-01
+2.551351E-01
 0.000000E+00
 0.000000E+00
 0.000000E+00
diff --git a/tests/regression_tests/cmfd_feed_expanding_window/results_true.dat b/tests/regression_tests/cmfd_feed_expanding_window/results_true.dat
index 8fd8cdbb8..b39f82f96 100644
--- a/tests/regression_tests/cmfd_feed_expanding_window/results_true.dat
+++ b/tests/regression_tests/cmfd_feed_expanding_window/results_true.dat
@@ -1,117 +1,117 @@
 k-combined:
-1.167865E+00 7.492213E-03
+1.170835E+00 5.423480E-03
 tally 1:
-1.146860E+01
-1.318884E+01
-2.161527E+01
-4.685283E+01
-2.951158E+01
-8.733566E+01
-3.521610E+01
-1.242821E+02
-3.774236E+01
-1.426501E+02
-3.727918E+01
-1.391158E+02
-3.377176E+01
-1.143839E+02
-2.904497E+01
-8.452907E+01
-2.090871E+01
-4.384549E+01
-1.078642E+01
-1.168086E+01
+1.205100E+01
+1.456707E+01
+2.183882E+01
+4.781179E+01
+2.844010E+01
+8.102358E+01
+3.356334E+01
+1.130832E+02
+3.660829E+01
+1.344973E+02
+3.697740E+01
+1.371500E+02
+3.400119E+01
+1.160196E+02
+2.839868E+01
+8.083199E+01
+2.140398E+01
+4.615447E+01
+1.118179E+01
+1.262942E+01
 tally 2:
-1.136810E+00
-1.292338E+00
-7.987303E-01
-6.379700E-01
-2.266938E+00
-5.139009E+00
-1.613483E+00
-2.603328E+00
-3.046349E+00
-9.280239E+00
-2.182459E+00
-4.763126E+00
-3.568068E+00
-1.273111E+01
-2.532456E+00
-6.413333E+00
-3.989504E+00
-1.591614E+01
-2.848301E+00
-8.112818E+00
-3.853133E+00
-1.484663E+01
-2.718493E+00
-7.390202E+00
-3.478138E+00
-1.209745E+01
-2.467281E+00
-6.087476E+00
-2.952220E+00
-8.715605E+00
-2.103261E+00
-4.423706E+00
-1.917459E+00
-3.676649E+00
-1.378369E+00
-1.899902E+00
-1.048240E+00
-1.098807E+00
-7.511947E-01
-5.642934E-01
+1.218245E+00
+1.484121E+00
+8.387442E-01
+7.034918E-01
+2.142134E+00
+4.588738E+00
+1.526727E+00
+2.330895E+00
+2.736157E+00
+7.486556E+00
+1.973921E+00
+3.896363E+00
+3.606244E+00
+1.300500E+01
+2.537580E+00
+6.439313E+00
+3.668958E+00
+1.346126E+01
+2.599095E+00
+6.755294E+00
+3.647982E+00
+1.330777E+01
+2.539750E+00
+6.450332E+00
+3.118921E+00
+9.727669E+00
+2.186447E+00
+4.780549E+00
+2.881110E+00
+8.300795E+00
+2.042635E+00
+4.172360E+00
+2.045602E+00
+4.184486E+00
+1.458384E+00
+2.126884E+00
+1.022124E+00
+1.044738E+00
+7.112678E-01
+5.059018E-01
 tally 3:
-7.701233E-01
-5.930898E-01
-4.481585E-02
-2.008461E-03
-1.547307E+00
-2.394158E+00
-1.226539E-01
-1.504398E-02
-2.106373E+00
-4.436806E+00
-1.450618E-01
-2.104294E-02
-2.437654E+00
-5.942157E+00
-1.521380E-01
-2.314598E-02
-2.754639E+00
-7.588038E+00
-1.745460E-01
-3.046629E-02
-2.623852E+00
-6.884601E+00
-1.851602E-01
-3.428432E-02
-2.376886E+00
-5.649588E+00
-1.615729E-01
-2.610582E-02
-2.021856E+00
-4.087900E+00
-1.533174E-01
-2.350622E-02
-1.333190E+00
-1.777397E+00
-7.076188E-02
-5.007243E-03
-7.258527E-01
-5.268622E-01
-3.656030E-02
-1.336656E-03
+8.048428E-01
+6.477720E-01
+6.603741E-02
+4.360940E-03
+1.466886E+00
+2.151755E+00
+1.002354E-01
+1.004713E-02
+1.909238E+00
+3.645189E+00
+1.202824E-01
+1.446786E-02
+2.443130E+00
+5.968886E+00
+1.627351E-01
+2.648270E-02
+2.492602E+00
+6.213064E+00
+1.910368E-01
+3.649506E-02
+2.437262E+00
+5.940245E+00
+1.568389E-01
+2.459843E-02
+2.104091E+00
+4.427200E+00
+1.450465E-01
+2.103848E-02
+1.965900E+00
+3.864762E+00
+1.367918E-01
+1.871199E-02
+1.402871E+00
+1.968047E+00
+1.061316E-01
+1.126391E-02
+6.832689E-01
+4.668565E-01
+4.599034E-02
+2.115112E-03
 tally 4:
-1.667432E-01
-2.780328E-02
+1.497312E-01
+2.241943E-02
 0.000000E+00
 0.000000E+00
-1.292567E-01
-1.670730E-02
-2.813370E-01
-7.915052E-02
+1.535839E-01
+2.358801E-02
+2.882052E-01
+8.306225E-02
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -128,14 +128,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-2.813370E-01
-7.915052E-02
-1.292567E-01
-1.670730E-02
-2.670549E-01
-7.131835E-02
-4.055324E-01
-1.644566E-01
+2.882052E-01
+8.306225E-02
+1.535839E-01
+2.358801E-02
+2.526805E-01
+6.384743E-02
+3.616220E-01
+1.307705E-01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -152,14 +152,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-4.055324E-01
-1.644566E-01
-2.670549E-01
-7.131835E-02
-3.848125E-01
-1.480807E-01
-4.809430E-01
-2.313062E-01
+3.616220E-01
+1.307705E-01
+2.526805E-01
+6.384743E-02
+3.594306E-01
+1.291904E-01
+4.229730E-01
+1.789062E-01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -176,14 +176,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-4.809430E-01
-2.313062E-01
-3.848125E-01
-1.480807E-01
-4.543918E-01
-2.064719E-01
-5.106133E-01
-2.607260E-01
+4.229730E-01
+1.789062E-01
+3.594306E-01
+1.291904E-01
+3.973299E-01
+1.578711E-01
+4.255879E-01
+1.811250E-01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -200,14 +200,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-5.106133E-01
-2.607260E-01
-4.543918E-01
-2.064719E-01
-4.543120E-01
-2.063994E-01
-4.626328E-01
-2.140291E-01
+4.255879E-01
+1.811250E-01
+3.973299E-01
+1.578711E-01
+4.633933E-01
+2.147333E-01
+4.672837E-01
+2.183540E-01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -224,14 +224,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-4.626328E-01
-2.140291E-01
-4.543120E-01
-2.063994E-01
-4.827759E-01
-2.330726E-01
-4.442622E-01
-1.973689E-01
+4.672837E-01
+2.183540E-01
+4.633933E-01
+2.147333E-01
+4.251073E-01
+1.807162E-01
+3.842922E-01
+1.476805E-01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -248,14 +248,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-4.442622E-01
-1.973689E-01
-4.827759E-01
-2.330726E-01
-4.630420E-01
-2.144079E-01
-3.886524E-01
-1.510507E-01
+3.842922E-01
+1.476805E-01
+4.251073E-01
+1.807162E-01
+4.045096E-01
+1.636280E-01
+3.192860E-01
+1.019436E-01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -272,14 +272,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-3.886524E-01
-1.510507E-01
-4.630420E-01
-2.144079E-01
-3.535870E-01
-1.250237E-01
-2.530312E-01
-6.402478E-02
+3.192860E-01
+1.019436E-01
+4.045096E-01
+1.636280E-01
+3.738326E-01
+1.397508E-01
+2.598153E-01
+6.750398E-02
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -296,14 +296,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-2.530312E-01
-6.402478E-02
-3.535870E-01
-1.250237E-01
-2.465524E-01
-6.078808E-02
-1.197152E-01
-1.433173E-02
+2.598153E-01
+6.750398E-02
+3.738326E-01
+1.397508E-01
+2.453191E-01
+6.018146E-02
+1.098964E-01
+1.207721E-02
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -320,12 +320,12 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-1.197152E-01
-1.433173E-02
-2.465524E-01
-6.078808E-02
-1.369631E-01
-1.875888E-02
+1.098964E-01
+1.207721E-02
+2.453191E-01
+6.018146E-02
+1.458094E-01
+2.126039E-02
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -345,119 +345,119 @@ tally 4:
 0.000000E+00
 0.000000E+00
 tally 5:
-7.701233E-01
-5.930898E-01
-1.386250E-01
-1.921688E-02
-1.547307E+00
-2.394158E+00
-2.630277E-01
-6.918357E-02
-2.106373E+00
-4.436806E+00
-2.807880E-01
-7.884187E-02
-2.435849E+00
-5.933361E+00
-3.322060E-01
-1.103608E-01
-2.753634E+00
-7.582501E+00
-3.825922E-01
-1.463768E-01
-2.623852E+00
-6.884601E+00
-3.888710E-01
-1.512206E-01
-2.376886E+00
-5.649588E+00
-3.196217E-01
-1.021581E-01
-2.021856E+00
-4.087900E+00
-2.897881E-01
-8.397715E-02
-1.333190E+00
-1.777397E+00
-1.627110E-01
-2.647486E-02
-7.258527E-01
-5.268622E-01
-9.348666E-02
-8.739755E-03
+8.048428E-01
+6.477720E-01
+1.018934E-01
+1.038226E-02
+1.466886E+00
+2.151755E+00
+1.414681E-01
+2.001322E-02
+1.909238E+00
+3.645189E+00
+2.450211E-01
+6.003535E-02
+2.443130E+00
+5.968886E+00
+3.360056E-01
+1.128997E-01
+2.492602E+00
+6.213064E+00
+3.266277E-01
+1.066856E-01
+2.437262E+00
+5.940245E+00
+2.878100E-01
+8.283461E-02
+2.104091E+00
+4.427200E+00
+3.440457E-01
+1.183675E-01
+1.965900E+00
+3.864762E+00
+2.880615E-01
+8.297945E-02
+1.401955E+00
+1.965478E+00
+1.646479E-01
+2.710892E-02
+6.832689E-01
+4.668565E-01
+1.147413E-01
+1.316557E-02
 cmfd indices
 1.000000E+01
 1.000000E+00
 1.000000E+00
 1.000000E+00
 k cmfd
-1.149077E+00
-1.156751E+00
-1.158648E+00
-1.159506E+00
-1.156567E+00
-1.160259E+00
-1.150345E+00
-1.149846E+00
-1.151606E+00
-1.164544E+00
-1.174648E+00
+1.181376E+00
+1.176656E+00
+1.161939E+00
+1.163552E+00
+1.163035E+00
+1.170382E+00
+1.160597E+00
+1.154301E+00
+1.159007E+00
+1.148290E+00
+1.157088E+00
 cmfd entropy
-3.216173E+00
-3.228717E+00
-3.220402E+00
-3.214352E+00
-3.215636E+00
-3.213599E+00
-3.212854E+00
-3.213131E+00
-3.213196E+00
-3.205474E+00
-3.202869E+00
+3.246419E+00
+3.246511E+00
+3.252247E+00
+3.240919E+00
+3.237600E+00
+3.233990E+00
+3.234226E+00
+3.229356E+00
+3.224272E+00
+3.225381E+00
+3.226778E+00
 cmfd balance
-3.08825E-03
-1.42345E-03
-1.21253E-03
-1.17694E-03
-1.05901E-03
-9.29611E-04
-1.35587E-03
-1.13579E-03
-1.14964E-03
-1.29313E-03
-1.46566E-03
+4.18486E-03
+1.72126E-03
+1.10899E-03
+1.88170E-03
+1.31646E-03
+1.34128E-03
+1.57944E-03
+2.11251E-03
+1.79912E-03
+1.86000E-03
+1.47765E-03
 cmfd dominance ratio
 5.524E-01
-5.614E-01
-5.522E-01
-5.487E-01
-5.482E-01
-5.446E-01
-5.437E-01
-5.429E-01
-5.407E-01
-5.380E-01
-5.377E-01
+5.597E-01
+5.622E-01
+5.544E-01
+5.541E-01
+5.519E-01
+5.532E-01
+5.550E-01
+5.484E-01
+5.497E-01
+5.500E-01
 cmfd openmc source comparison
-1.586045E-02
-6.953134E-03
-6.860419E-03
-6.198467E-03
-5.142854E-03
-4.373354E-03
-5.564831E-03
-4.184765E-03
-1.867780E-03
-2.734784E-03
-2.523985E-03
+1.905464E-03
+4.145126E-03
+2.465876E-03
+2.346755E-03
+1.848120E-03
+3.263822E-03
+3.641639E-03
+4.031509E-03
+4.999010E-03
+6.640746E-03
+5.691414E-03
 cmfd source
-4.241440E-02
-8.226026E-02
-1.180811E-01
-1.328433E-01
-1.412410E-01
-1.424902E-01
-1.269340E-01
-1.096490E-01
-6.953251E-02
-3.455422E-02
+4.951338E-02
+8.478025E-02
+1.083132E-01
+1.301432E-01
+1.341190E-01
+1.445825E-01
+1.255119E-01
+1.063303E-01
+7.830158E-02
+3.840469E-02
diff --git a/tests/regression_tests/cmfd_feed_ng/results_true.dat b/tests/regression_tests/cmfd_feed_ng/results_true.dat
index 153238bfe..4ea1515f1 100644
--- a/tests/regression_tests/cmfd_feed_ng/results_true.dat
+++ b/tests/regression_tests/cmfd_feed_ng/results_true.dat
@@ -1,208 +1,208 @@
 k-combined:
-1.005987E+00 1.354263E-02
+1.008852E+00 9.028695E-03
 tally 1:
-1.140273E+02
-1.301245E+03
-1.147962E+02
-1.319049E+03
-1.151426E+02
-1.326442E+03
-1.149265E+02
-1.321518E+03
+1.151271E+02
+1.325871E+03
+1.143934E+02
+1.309051E+03
+1.142507E+02
+1.306616E+03
+1.140242E+02
+1.300786E+03
 tally 2:
-3.462748E+01
-7.542476E+01
-5.129219E+01
-1.658142E+02
-1.034704E+01
-6.730603E+00
-8.672967E+00
-4.715295E+00
-1.344669E+02
-1.132019E+03
-7.262519E+01
-3.300787E+02
-3.447358E+01
-7.459545E+01
-5.075836E+01
-1.619570E+02
-1.080516E+01
-7.366369E+00
-8.908065E+00
-4.991975E+00
-1.354224E+02
-1.146824E+03
-7.300078E+01
-3.332531E+02
-3.432298E+01
-7.388666E+01
-5.096378E+01
-1.627979E+02
-1.053664E+01
-7.029789E+00
-8.826624E+00
-4.904429E+00
-1.388389E+02
-1.207280E+03
-7.376623E+01
-3.403211E+02
-4.383841E+01
-1.943331E+02
-5.165881E+01
-1.675923E+02
-1.059646E+01
-7.048052E+00
-8.763673E+00
-4.823505E+00
-1.378179E+02
-1.188104E+03
-7.431708E+01
-3.453746E+02
+3.403617E+01
+7.260478E+01
+5.031678E+01
+1.588977E+02
+1.003700E+01
+6.373741E+00
+8.514575E+00
+4.571811E+00
+1.413036E+02
+1.264708E+03
+7.321799E+01
+3.353408E+02
+3.354839E+01
+7.052647E+01
+4.895930E+01
+1.501243E+02
+9.972495E+00
+6.271276E+00
+8.436263E+00
+4.481319E+00
+1.353506E+02
+1.146040E+03
+7.309382E+01
+3.341751E+02
+3.389861E+01
+7.205501E+01
+5.005946E+01
+1.571210E+02
+1.041650E+01
+6.810868E+00
+8.839753E+00
+4.897617E+00
+1.344145E+02
+1.130242E+03
+7.270373E+01
+3.307223E+02
+3.347928E+01
+7.040185E+01
+4.940585E+01
+1.535767E+02
+9.898649E+00
+6.175319E+00
+8.406032E+00
+4.442856E+00
+1.374544E+02
+1.182191E+03
+7.334301E+01
+3.365399E+02
 tally 3:
-4.858880E+01
-1.488705E+02
+4.755532E+01
+1.419592E+02
 0.000000E+00
 0.000000E+00
-8.148667E-03
-1.337050E-05
+1.628248E-02
+3.680742E-05
 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-3.347376E+00
-7.045574E-01
-2.433484E+00
-3.727266E-01
+3.347160E+00
+7.104290E-01
+2.453669E+00
+3.797470E-01
 0.000000E+00
 0.000000E+00
-6.095478E+00
-2.332622E+00
+5.925795E+00
+2.220734E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-1.235421E-01
-1.205155E-03
-3.647699E-01
-8.953589E-03
+9.542527E-02
+1.118856E-03
+3.018759E-01
+6.371059E-03
 0.000000E+00
 0.000000E+00
-2.673965E+00
-4.517972E-01
+2.501316E+00
+3.938401E-01
 0.000000E+00
 0.000000E+00
-6.841105E+01
-2.929195E+02
-5.902473E-01
-2.307683E-02
-4.792291E+01
-1.444397E+02
+6.926265E+01
+3.001504E+02
+6.765221E-01
+2.991787E-02
+4.605523E+01
+1.328435E+02
 0.000000E+00
 0.000000E+00
-2.183275E-02
-8.061011E-05
+1.687782E-02
+3.921162E-05
 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-3.435826E+00
-7.480244E-01
-2.450829E+00
-3.800327E-01
+3.481608E+00
+7.705602E-01
+2.439374E+00
+3.779705E-01
 0.000000E+00
 0.000000E+00
-6.331358E+00
-2.530492E+00
+5.855806E+00
+2.162361E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-1.012941E-01
-8.217580E-04
-2.981274E-01
-5.863186E-03
+1.016677E-01
+9.263706E-04
+3.264878E-01
+7.385168E-03
 0.000000E+00
 0.000000E+00
-2.535628E+00
-4.048310E-01
+2.519730E+00
+3.986182E-01
 0.000000E+00
 0.000000E+00
-6.912003E+01
-2.987684E+02
-5.984862E-01
-2.386115E-02
-4.822881E+01
-1.458309E+02
+6.920950E+01
+2.996184E+02
+5.985719E-01
+2.368062E-02
+4.730723E+01
+1.403550E+02
 0.000000E+00
 0.000000E+00
-1.525590E-02
-3.794082E-05
+6.800415E-03
+1.163614E-05
 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-3.314494E+00
-6.944527E-01
-2.424209E+00
-3.691360E-01
+3.347607E+00
+7.085691E-01
+2.556997E+00
+4.109118E-01
 0.000000E+00
 0.000000E+00
-6.254897E+00
-2.474317E+00
+6.171063E+00
+2.391770E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-1.112542E-01
-1.051688E-03
-3.234880E-01
-7.156753E-03
+7.942016E-02
+5.628747E-04
+3.456912E-01
+7.940086E-03
 0.000000E+00
 0.000000E+00
-2.474142E+00
-3.837496E-01
+2.684459E+00
+4.546338E-01
 0.000000E+00
 0.000000E+00
-6.987095E+01
-3.053358E+02
-5.928782E-01
-2.368116E-02
-4.885415E+01
-1.499856E+02
+6.850588E+01
+2.936078E+02
+6.458806E-01
+2.672541E-02
+4.673301E+01
+1.374202E+02
 0.000000E+00
 0.000000E+00
-1.262416E-02
-2.486286E-05
+1.504681E-02
+4.202606E-05
 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-3.426826E+00
-7.480396E-01
-2.487209E+00
-3.903882E-01
+3.139138E+00
+6.206027E-01
+2.341735E+00
+3.454035E-01
 0.000000E+00
 0.000000E+00
-6.127303E+00
-2.364605E+00
+5.923755E+00
+2.216341E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-9.439007E-02
-1.082564E-03
-2.963491E-01
-5.652952E-03
+7.030156E-02
+4.283974E-04
+3.247594E-01
+7.133772E-03
 0.000000E+00
 0.000000E+00
-2.620696E+00
-4.311792E-01
+2.559691E+00
+4.119674E-01
 0.000000E+00
 0.000000E+00
-7.030725E+01
-3.091241E+02
-5.986966E-01
-2.352487E-02
+6.938051E+01
+3.012078E+02
+5.159565E-01
+1.730381E-02
 tally 4:
 0.000000E+00
 0.000000E+00
@@ -216,18 +216,18 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-7.028624E+00
-3.105990E+00
-2.154648E+00
-2.948865E-01
-2.714077E+01
-4.607926E+01
-7.035506E+00
-3.118549E+00
-2.085916E+00
-2.730884E-01
-2.750091E+01
-4.731304E+01
+7.028166E+00
+3.103666E+00
+2.028371E+00
+2.606104E-01
+2.715466E+01
+4.614452E+01
+6.981028E+00
+3.059096E+00
+2.032450E+00
+2.610410E-01
+2.734281E+01
+4.675062E+01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -240,18 +240,18 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-7.170567E+00
-3.240715E+00
-2.131758E+00
-2.862355E-01
-2.747702E+01
-4.722977E+01
-7.068817E+00
-3.139275E+00
-2.095865E+00
-2.762179E-01
-2.737835E+01
-4.688689E+01
+6.969559E+00
+3.054867E+00
+2.042871E+00
+2.624815E-01
+2.766332E+01
+4.787778E+01
+7.022610E+00
+3.098329E+00
+2.109973E+00
+2.824233E-01
+2.733826E+01
+4.676309E+01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -276,18 +276,18 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-7.035506E+00
-3.118549E+00
-2.085916E+00
-2.730884E-01
-2.750091E+01
-4.731304E+01
-7.028624E+00
-3.105990E+00
-2.154648E+00
-2.948865E-01
-2.714077E+01
-4.607926E+01
+6.981028E+00
+3.059096E+00
+2.032450E+00
+2.610410E-01
+2.734281E+01
+4.675062E+01
+7.028166E+00
+3.103666E+00
+2.028371E+00
+2.606104E-01
+2.715466E+01
+4.614452E+01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -312,18 +312,18 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-7.103896E+00
-3.171147E+00
-2.095666E+00
-2.756673E-01
-2.711842E+01
-4.600196E+01
-7.197270E+00
-3.255501E+00
-2.046179E+00
-2.630301E-01
-2.729901E+01
-4.662030E+01
+6.782152E+00
+2.885448E+00
+1.951138E+00
+2.400912E-01
+2.739652E+01
+4.697696E+01
+6.873220E+00
+2.965563E+00
+1.999066E+00
+2.521586E-01
+2.732700E+01
+4.670990E+01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -360,30 +360,30 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-7.240906E+00
-3.296285E+00
-2.130816E+00
-2.850713E-01
-2.761433E+01
-4.771548E+01
-7.126427E+00
-3.199209E+00
-2.177254E+00
-2.998765E-01
-2.754936E+01
-4.748447E+01
-7.068817E+00
-3.139275E+00
-2.095865E+00
-2.762179E-01
-2.737835E+01
-4.688689E+01
-7.170567E+00
-3.240715E+00
-2.131758E+00
-2.862355E-01
-2.747702E+01
-4.722977E+01
+6.933695E+00
+3.028826E+00
+2.080336E+00
+2.719620E-01
+2.726925E+01
+4.650782E+01
+6.836291E+00
+2.935998E+00
+2.124868E+00
+2.841370E-01
+2.709685E+01
+4.591604E+01
+7.022610E+00
+3.098329E+00
+2.109973E+00
+2.824233E-01
+2.733826E+01
+4.676309E+01
+6.969559E+00
+3.054867E+00
+2.042871E+00
+2.624815E-01
+2.766332E+01
+4.787778E+01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -420,18 +420,18 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-7.126427E+00
-3.199209E+00
-2.177254E+00
-2.998765E-01
-2.754936E+01
-4.748447E+01
-7.240906E+00
-3.296285E+00
-2.130816E+00
-2.850713E-01
-2.761433E+01
-4.771548E+01
+6.836291E+00
+2.935998E+00
+2.124868E+00
+2.841370E-01
+2.709685E+01
+4.591604E+01
+6.933695E+00
+3.028826E+00
+2.080336E+00
+2.719620E-01
+2.726925E+01
+4.650782E+01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -444,18 +444,18 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-7.197270E+00
-3.255501E+00
-2.046179E+00
-2.630301E-01
-2.729901E+01
-4.662030E+01
-7.103896E+00
-3.171147E+00
-2.095666E+00
-2.756673E-01
-2.711842E+01
-4.600196E+01
+6.873220E+00
+2.965563E+00
+1.999066E+00
+2.521586E-01
+2.732700E+01
+4.670990E+01
+6.782152E+00
+2.885448E+00
+1.951138E+00
+2.400912E-01
+2.739652E+01
+4.697696E+01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -493,124 +493,124 @@ tally 4:
 0.000000E+00
 0.000000E+00
 tally 5:
-4.859695E+01
-1.489217E+02
-8.528963E+00
-4.561881E+00
-7.144500E+01
-3.194467E+02
-1.120265E+01
-7.944038E+00
-4.009821E+00
-1.012575E+00
-3.235456E+01
-6.558658E+01
-4.794474E+01
-1.445671E+02
-8.782187E+00
-4.852477E+00
-7.195036E+01
-3.237389E+02
-1.075572E+01
-7.333822E+00
-4.084680E+00
-1.054714E+00
-3.267154E+01
-6.675266E+01
-4.824407E+01
-1.459220E+02
-8.679106E+00
-4.742342E+00
-7.266858E+01
-3.302641E+02
-1.094872E+01
-7.536318E+00
-3.935828E+00
-9.749543E-01
-3.319517E+01
-6.894791E+01
-4.886677E+01
-1.500624E+02
-8.614512E+00
-4.662618E+00
-7.321408E+01
-3.352172E+02
-1.095123E+01
-7.574359E+00
-3.885927E+00
-9.539315E-01
-3.334065E+01
-6.953215E+01
+4.757160E+01
+1.420561E+02
+8.379464E+00
+4.426892E+00
+7.205748E+01
+3.248178E+02
+1.047742E+01
+6.922945E+00
+3.879420E+00
+9.517577E-01
+3.297227E+01
+6.802001E+01
+4.607211E+01
+1.329402E+02
+8.295180E+00
+4.334618E+00
+7.205259E+01
+3.247324E+02
+1.059307E+01
+7.039382E+00
+3.783039E+00
+9.030658E-01
+3.288052E+01
+6.762048E+01
+4.731403E+01
+1.403940E+02
+8.728060E+00
+4.774750E+00
+7.152809E+01
+3.200993E+02
+1.074636E+01
+7.270116E+00
+4.007351E+00
+1.010562E+00
+3.249303E+01
+6.611829E+01
+4.674806E+01
+1.375015E+02
+8.265491E+00
+4.296947E+00
+7.226174E+01
+3.267127E+02
+1.079228E+01
+7.340408E+00
+3.843888E+00
+9.273339E-01
+3.300391E+01
+6.823122E+01
 cmfd indices
 2.000000E+00
 2.000000E+00
 1.000000E+00
 3.000000E+00
 k cmfd
-1.026473E+00
-1.024183E+00
-1.023151E+00
-1.025047E+00
-1.019801E+00
-1.020492E+00
-1.015249E+00
-1.016714E+00
-1.016047E+00
-1.019687E+00
-1.020955E+00
+1.011190E+00
+1.010705E+00
+1.014132E+00
+1.015900E+00
+1.019132E+00
+1.022616E+00
+1.023007E+00
+1.022300E+00
+1.014692E+00
+1.007628E+00
+1.006204E+00
 cmfd entropy
-1.999640E+00
-1.999556E+00
-1.999484E+00
-1.999718E+00
-1.999697E+00
-1.999657E+00
-1.999883E+00
-1.999902E+00
-1.999977E+00
-1.999977E+00
-1.999906E+00
+1.999167E+00
+1.999076E+00
+1.998507E+00
+1.997924E+00
+1.997814E+00
+1.997752E+00
+1.997882E+00
+1.998074E+00
+1.998109E+00
+1.998301E+00
+1.998581E+00
 cmfd balance
-8.10090E-04
-1.28103E-03
-7.97200E-04
-5.82188E-04
-7.20670E-04
-7.31475E-04
-5.71904E-04
-6.14057E-04
-6.00142E-04
-5.47870E-04
-3.53604E-04
+9.30124E-04
+2.56632E-04
+3.62598E-04
+4.17543E-04
+5.25720E-04
+4.90208E-04
+3.61304E-04
+2.24090E-04
+1.86602E-04
+1.78395E-04
+6.42497E-05
 cmfd dominance ratio
-3.977E-03
-4.018E-03
-3.950E-03
-3.866E-03
-3.840E-03
-3.888E-03
-3.867E-03
-3.896E-03
-3.924E-03
-3.885E-03
-3.913E-03
+4.194E-03
+4.234E-03
+4.149E-03
+4.209E-03
+4.185E-03
+4.197E-03
+4.175E-03
+4.105E-03
+4.056E-03
+4.122E-03
+4.113E-03
 cmfd openmc source comparison
-4.787501E-05
-4.450525E-05
-2.532345E-05
-3.844307E-05
-4.821504E-05
-4.840760E-05
-3.739246E-05
-3.957960E-05
-4.521480E-05
-4.072007E-05
-2.532636E-05
+2.078995E-05
+2.415218E-05
+3.311536E-05
+3.598613E-05
+3.156455E-05
+2.737017E-05
+2.468500E-05
+2.514215E-05
+1.601626E-05
+1.424027E-05
+4.201148E-06
 cmfd source
-2.486236E-01
-2.531628E-01
-2.460219E-01
-2.521918E-01
+2.558585E-01
+2.597562E-01
+2.529866E-01
+2.313986E-01
 0.000000E+00
 0.000000E+00
 0.000000E+00
diff --git a/tests/regression_tests/cmfd_feed_rectlin/results_true.dat b/tests/regression_tests/cmfd_feed_rectlin/results_true.dat
index 600b5d152..a98f3fbd3 100644
--- a/tests/regression_tests/cmfd_feed_rectlin/results_true.dat
+++ b/tests/regression_tests/cmfd_feed_rectlin/results_true.dat
@@ -1,149 +1,149 @@
 k-combined:
-1.160561E+00 1.029736E-02
+1.157362E+00 9.651846E-03
 tally 1:
-1.089904E+01
-1.193573E+01
-2.026534E+01
-4.113383E+01
-2.723584E+01
-7.440537E+01
-3.309956E+01
-1.101184E+02
-3.659327E+01
-1.341221E+02
-3.780158E+01
-1.430045E+02
-3.520883E+01
-1.241772E+02
-2.961801E+01
-8.784675E+01
-2.182029E+01
-4.781083E+01
-1.180347E+01
-1.399970E+01
+1.160989E+01
+1.351117E+01
+2.127132E+01
+4.540172E+01
+2.903242E+01
+8.450044E+01
+3.443549E+01
+1.188763E+02
+3.678332E+01
+1.355586E+02
+3.760088E+01
+1.418740E+02
+3.433077E+01
+1.181837E+02
+2.861986E+01
+8.231285E+01
+2.182277E+01
+4.792086E+01
+1.138713E+01
+1.304425E+01
 tally 2:
-8.794706E+00
-3.939413E+00
-6.131113E+00
-1.913116E+00
-3.265522E+01
-5.364042E+01
-2.304238E+01
-2.672742E+01
-2.250225E+01
-2.541491E+01
-1.601668E+01
-1.288405E+01
-5.525355E+01
-1.531915E+02
-3.929637E+01
-7.748545E+01
-3.222711E+01
-5.216630E+01
-2.285375E+01
-2.623641E+01
-7.051908E+01
-2.495413E+02
-5.010064E+01
-1.259701E+02
-3.728726E+01
-6.974440E+01
-2.652872E+01
-3.530919E+01
-3.747306E+01
-7.058235E+01
-2.681415E+01
-3.613314E+01
-7.296802E+01
-2.669214E+02
-5.202502E+01
-1.356733E+02
-3.333947E+01
-5.579355E+01
-2.361733E+01
-2.800800E+01
-5.785916E+01
-1.680561E+02
-4.093282E+01
-8.410711E+01
-2.377151E+01
-2.842464E+01
-1.681789E+01
-1.423646E+01
-3.422028E+01
-5.880493E+01
-2.415199E+01
-2.930240E+01
-8.890608E+00
-3.986356E+00
-6.140159E+00
-1.897764E+00
+8.861425E+00
+3.953963E+00
+6.090757E+00
+1.866235E+00
+3.309260E+01
+5.493482E+01
+2.330765E+01
+2.725350E+01
+2.295343E+01
+2.647375E+01
+1.629166E+01
+1.334081E+01
+5.714234E+01
+1.640293E+02
+4.054051E+01
+8.261123E+01
+3.331786E+01
+5.565082E+01
+2.366345E+01
+2.807637E+01
+7.034800E+01
+2.485209E+02
+5.001286E+01
+1.256087E+02
+3.651223E+01
+6.686058E+01
+2.606851E+01
+3.408881E+01
+3.729833E+01
+6.997492E+01
+2.657970E+01
+3.553107E+01
+7.212382E+01
+2.611253E+02
+5.124647E+01
+1.318756E+02
+3.304529E+01
+5.486643E+01
+2.347504E+01
+2.771353E+01
+5.711252E+01
+1.640619E+02
+4.060288E+01
+8.298231E+01
+2.384078E+01
+2.855909E+01
+1.684046E+01
+1.426180E+01
+3.329487E+01
+5.573544E+01
+2.349871E+01
+2.776487E+01
+8.676886E+00
+3.814132E+00
+5.980976E+00
+1.815143E+00
 tally 3:
-5.925339E+00
-1.788596E+00
-3.912632E-01
-8.061838E-03
-2.215544E+01
-2.471404E+01
-1.465191E+00
-1.092622E-01
-1.542988E+01
-1.195626E+01
-1.022876E+00
-5.356825E-02
-3.792029E+01
-7.218149E+01
-2.370476E+00
-2.839465E-01
-2.200154E+01
-2.432126E+01
-1.360836E+00
-9.402424E-02
-4.824980E+01
-1.168447E+02
-3.124366E+00
-4.907460E-01
-2.557420E+01
-3.282066E+01
-1.725855E+00
-1.519830E-01
-2.577963E+01
-3.341077E+01
-1.654042E+00
-1.386845E-01
-5.008220E+01
-1.257610E+02
-3.223857E+00
-5.237360E-01
-2.273380E+01
-2.595325E+01
-1.438369E+00
-1.050840E-01
-3.938822E+01
-7.789691E+01
-2.648324E+00
-3.559703E-01
-1.623604E+01
-1.327214E+01
-1.058882E+00
-5.680630E-02
-2.325730E+01
-2.717892E+01
-1.584276E+00
-1.275868E-01
-5.937929E+00
-1.774847E+00
-3.866918E-01
-7.994353E-03
+5.847135E+00
+1.719612E+00
+3.960040E-01
+8.297721E-03
+2.245534E+01
+2.530222E+01
+1.468678E+00
+1.094031E-01
+1.571194E+01
+1.240597E+01
+1.004169E+00
+5.156464E-02
+3.901605E+01
+7.652715E+01
+2.648696E+00
+3.571840E-01
+2.275978E+01
+2.597555E+01
+1.456067E+00
+1.075035E-01
+4.821184E+01
+1.167725E+02
+3.105774E+00
+4.859873E-01
+2.519281E+01
+3.183845E+01
+1.595498E+00
+1.292133E-01
+2.560583E+01
+3.297409E+01
+1.673871E+00
+1.429651E-01
+4.930025E+01
+1.220909E+02
+3.206604E+00
+5.220919E-01
+2.255825E+01
+2.560134E+01
+1.422870E+00
+1.027151E-01
+3.910818E+01
+7.698933E+01
+2.568903E+00
+3.333385E-01
+1.620292E+01
+1.321173E+01
+1.068678E+00
+5.798793E-02
+2.264343E+01
+2.578648E+01
+1.503553E+00
+1.158411E-01
+5.751110E+00
+1.676910E+00
+3.450582E-01
+6.411784E-03
 tally 4:
-3.063235E+00
-4.714106E-01
+3.051764E+00
+4.671879E-01
 0.000000E+00
 0.000000E+00
-1.425705E+00
-1.043616E-01
-4.355515E+00
-9.538346E-01
+1.407008E+00
+1.004485E-01
+4.354708E+00
+9.506434E-01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -160,14 +160,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-4.355515E+00
-9.538346E-01
-1.425705E+00
-1.043616E-01
-3.859174E+00
-7.519499E-01
-6.350310E+00
-2.024214E+00
+4.354708E+00
+9.506434E-01
+1.407008E+00
+1.004485E-01
+3.852730E+00
+7.498016E-01
+6.382605E+00
+2.043123E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -184,14 +184,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-6.350310E+00
-2.024214E+00
-3.859174E+00
-7.519499E-01
-4.993073E+00
-1.258264E+00
-7.194275E+00
-2.596886E+00
+6.382605E+00
+2.043123E+00
+3.852730E+00
+7.498016E-01
+5.061607E+00
+1.288306E+00
+7.281209E+00
+2.659444E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -208,14 +208,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-7.194275E+00
-2.596886E+00
-4.993073E+00
-1.258264E+00
-6.786617E+00
-2.312259E+00
-8.306978E+00
-3.459668E+00
+7.281209E+00
+2.659444E+00
+5.061607E+00
+1.288306E+00
+7.096602E+00
+2.527474E+00
+8.632232E+00
+3.736665E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -232,14 +232,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-8.306978E+00
-3.459668E+00
-6.786617E+00
-2.312259E+00
-7.603410E+00
-2.905228E+00
-8.791222E+00
-3.882935E+00
+8.632232E+00
+3.736665E+00
+7.096602E+00
+2.527474E+00
+7.759456E+00
+3.019026E+00
+8.968687E+00
+4.037738E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -256,14 +256,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-8.791222E+00
-3.882935E+00
-7.603410E+00
-2.905228E+00
-8.867113E+00
-3.938503E+00
-9.302808E+00
-4.340042E+00
+8.968687E+00
+4.037738E+00
+7.759456E+00
+3.019026E+00
+8.749025E+00
+3.839161E+00
+9.126289E+00
+4.176440E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -280,14 +280,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-9.302808E+00
-4.340042E+00
-8.867113E+00
-3.938503E+00
-9.270113E+00
-4.306513E+00
-9.263471E+00
-4.302184E+00
+9.126289E+00
+4.176440E+00
+8.749025E+00
+3.839161E+00
+9.259277E+00
+4.304020E+00
+9.165726E+00
+4.216173E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -304,14 +304,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-9.263471E+00
-4.302184E+00
-9.270113E+00
-4.306513E+00
-9.348712E+00
-4.388570E+00
-8.977713E+00
-4.047349E+00
+9.165726E+00
+4.216173E+00
+9.259277E+00
+4.304020E+00
+9.433925E+00
+4.473551E+00
+8.910566E+00
+3.991458E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -328,14 +328,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-8.977713E+00
-4.047349E+00
-9.348712E+00
-4.388570E+00
-9.234380E+00
-4.280666E+00
-8.036978E+00
-3.239853E+00
+8.910566E+00
+3.991458E+00
+9.433925E+00
+4.473551E+00
+9.099397E+00
+4.154062E+00
+7.770126E+00
+3.029928E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -352,14 +352,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-8.036978E+00
-3.239853E+00
-9.234380E+00
-4.280666E+00
-8.713633E+00
-3.808850E+00
-7.160878E+00
-2.572915E+00
+7.770126E+00
+3.029928E+00
+9.099397E+00
+4.154062E+00
+8.575842E+00
+3.694998E+00
+6.934243E+00
+2.418570E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -376,14 +376,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-7.160878E+00
-2.572915E+00
-8.713633E+00
-3.808850E+00
-7.378538E+00
-2.732122E+00
-5.145728E+00
-1.329190E+00
+6.934243E+00
+2.418570E+00
+8.575842E+00
+3.694998E+00
+7.437526E+00
+2.780629E+00
+5.136923E+00
+1.331553E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -400,14 +400,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-5.145728E+00
-1.329190E+00
-7.378538E+00
-2.732122E+00
-6.660125E+00
-2.228506E+00
-4.087925E+00
-8.435381E-01
+5.136923E+00
+1.331553E+00
+7.437526E+00
+2.780629E+00
+6.648582E+00
+2.216687E+00
+4.050691E+00
+8.279789E-01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -424,14 +424,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-4.087925E+00
-8.435381E-01
-6.660125E+00
-2.228506E+00
-4.466295E+00
-1.002320E+00
-1.468481E+00
-1.099604E-01
+4.050691E+00
+8.279789E-01
+6.648582E+00
+2.216687E+00
+4.390906E+00
+9.686686E-01
+1.391624E+00
+9.861955E-02
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -448,12 +448,12 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-1.468481E+00
-1.099604E-01
-4.466295E+00
-1.002320E+00
-3.139355E+00
-4.955456E-01
+1.391624E+00
+9.861955E-02
+4.390906E+00
+9.686686E-01
+3.113477E+00
+4.874296E-01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -473,164 +473,164 @@ tally 4:
 0.000000E+00
 0.000000E+00
 tally 5:
-5.925339E+00
-1.788596E+00
-8.954773E-01
-4.217679E-02
-2.215054E+01
-2.470273E+01
-2.944747E+00
-4.443186E-01
-1.542658E+01
-1.195085E+01
-1.950262E+00
-1.946340E-01
-3.791137E+01
-7.214779E+01
-4.955741E+00
-1.254830E+00
-2.200054E+01
-2.431894E+01
-3.031040E+00
-4.685971E-01
-4.823946E+01
-1.167941E+02
-6.226321E+00
-1.956308E+00
-2.556930E+01
-3.280828E+01
-3.582546E+00
-6.505962E-01
-2.577249E+01
-3.339204E+01
-3.316825E+00
-5.676842E-01
-5.007249E+01
-1.257124E+02
-6.462364E+00
-2.120157E+00
-2.273285E+01
-2.595106E+01
-2.960964E+00
-4.496277E-01
-3.937362E+01
-7.783849E+01
-5.339336E+00
-1.449257E+00
-1.623315E+01
-1.326746E+01
-2.289661E+00
-2.698618E-01
-2.325250E+01
-2.716827E+01
-3.253010E+00
-5.413837E-01
-5.937929E+00
-1.774847E+00
-9.208589E-01
-4.421403E-02
+5.846103E+00
+1.718959E+00
+8.952028E-01
+4.184063E-02
+2.245226E+01
+2.529524E+01
+3.092645E+00
+4.848878E-01
+1.571095E+01
+1.240426E+01
+2.178244E+00
+2.438479E-01
+3.900638E+01
+7.648853E+01
+5.265574E+00
+1.401505E+00
+2.275895E+01
+2.597348E+01
+3.067909E+00
+4.810969E-01
+4.820213E+01
+1.167232E+02
+6.403602E+00
+2.070034E+00
+2.519091E+01
+3.183360E+01
+3.463531E+00
+6.097568E-01
+2.560388E+01
+3.296889E+01
+3.456252E+00
+6.101655E-01
+4.929539E+01
+1.220666E+02
+6.629094E+00
+2.223366E+00
+2.255498E+01
+2.559363E+01
+2.833426E+00
+4.150907E-01
+3.909813E+01
+7.694976E+01
+5.582222E+00
+1.584757E+00
+1.620082E+01
+1.320814E+01
+2.282196E+00
+2.703156E-01
+2.263498E+01
+2.576758E+01
+3.162736E+00
+5.145038E-01
+5.750110E+00
+1.676357E+00
+9.181679E-01
+4.562885E-02
 cmfd indices
 1.400000E+01
 1.000000E+00
 1.000000E+00
 1.000000E+00
 k cmfd
-1.125528E+00
-1.145509E+00
-1.158948E+00
-1.171983E+00
-1.180649E+00
-1.184072E+00
-1.188112E+00
-1.183095E+00
-1.182269E+00
-1.175467E+00
-1.175184E+00
-1.172637E+00
-1.171593E+00
-1.175439E+00
-1.174650E+00
-1.176474E+00
+1.166740E+00
+1.184008E+00
+1.166534E+00
+1.155559E+00
+1.164960E+00
+1.163229E+00
+1.165897E+00
+1.170104E+00
+1.170207E+00
+1.168091E+00
+1.170940E+00
+1.174589E+00
+1.174609E+00
+1.171505E+00
+1.174456E+00
+1.178370E+00
 cmfd entropy
-3.607059E+00
-3.604890E+00
-3.601329E+00
-3.597776E+00
-3.597360E+00
-3.597387E+00
-3.595379E+00
-3.596995E+00
-3.600901E+00
-3.601832E+00
-3.601426E+00
-3.604521E+00
-3.602848E+00
-3.603875E+00
-3.605213E+00
-3.606699E+00
+3.594757E+00
+3.587018E+00
+3.590385E+00
+3.595101E+00
+3.592151E+00
+3.600294E+00
+3.602102E+00
+3.604941E+00
+3.605897E+00
+3.604880E+00
+3.601658E+00
+3.602551E+00
+3.600160E+00
+3.604540E+00
+3.604094E+00
+3.602509E+00
 cmfd balance
-4.46212E-03
-4.66648E-03
-5.04274E-03
-5.21553E-03
-3.92498E-03
-2.97185E-03
-2.79785E-03
-2.66951E-03
-2.17472E-03
-1.98009E-03
-1.77035E-03
-1.51281E-03
-1.52807E-03
-1.33341E-03
-1.18155E-03
-1.07752E-03
+5.52960E-03
+5.42154E-03
+3.62152E-03
+2.92850E-03
+4.08642E-03
+2.07444E-03
+2.03704E-03
+2.06886E-03
+2.09646E-03
+1.94256E-03
+2.02728E-03
+1.89830E-03
+1.83910E-03
+1.48140E-03
+1.47034E-03
+1.64452E-03
 cmfd dominance ratio
-6.136E-01
-6.127E-01
-6.137E-01
-6.102E-01
-6.067E-01
-6.061E-01
-6.031E-01
 6.046E-01
-6.071E-01
-6.089E-01
-6.073E-01
-6.080E-01
-6.080E-01
+6.015E-01
+6.059E-01
+6.060E-01
+6.061E-01
+6.109E-01
+6.110E-01
+6.108E-01
+6.120E-01
+6.124E-01
+6.109E-01
 6.090E-01
-6.092E-01
-6.094E-01
+6.116E-01
+6.137E-01
+6.117E-01
+6.131E-01
 cmfd openmc source comparison
-1.043027E-02
-1.278226E-02
-1.184867E-02
-1.017186E-02
-1.099696E-02
-7.955341E-03
-8.360344E-03
-6.875508E-03
-4.824018E-03
-4.915363E-03
-5.371647E-03
-4.593100E-03
-4.894955E-03
-4.928253E-03
-4.292171E-03
-4.018545E-03
+1.035187E-02
+9.394886E-03
+6.879487E-03
+7.236029E-03
+6.543528E-03
+3.600620E-03
+2.859638E-03
+2.230047E-03
+2.180643E-03
+1.638534E-03
+1.764349E-03
+1.621487E-03
+1.221762E-03
+1.626297E-03
+1.951813E-03
+9.584126E-04
 cmfd source
-1.600876E-02
-6.000305E-02
-4.248071E-02
-9.935789E-02
-5.768092E-02
-1.338593E-01
-7.417398E-02
-7.102984E-02
-1.382563E-01
-6.181889E-02
-1.142473E-01
-4.571447E-02
-6.864655E-02
-1.672206E-02
+1.677059E-02
+6.229453E-02
+4.278394E-02
+1.134852E-01
+6.231020E-02
+1.327286E-01
+6.808362E-02
+7.130954E-02
+1.362127E-01
+6.048013E-02
+1.094460E-01
+4.546687E-02
+6.403310E-02
+1.459510E-02
diff --git a/tests/regression_tests/cmfd_feed_ref_d/results_true.dat b/tests/regression_tests/cmfd_feed_ref_d/results_true.dat
index 9cc26b8cf..34cde1a46 100644
--- a/tests/regression_tests/cmfd_feed_ref_d/results_true.dat
+++ b/tests/regression_tests/cmfd_feed_ref_d/results_true.dat
@@ -1,117 +1,117 @@
 k-combined:
-1.167869E+00 7.492916E-03
+1.162249E+00 5.812620E-03
 tally 1:
-1.146821E+01
-1.318787E+01
-2.161476E+01
-4.685066E+01
-2.951084E+01
-8.733116E+01
-3.521523E+01
-1.242762E+02
-3.774181E+01
-1.426460E+02
-3.727924E+01
-1.391162E+02
-3.377236E+01
-1.143877E+02
-2.904590E+01
-8.453427E+01
-2.090941E+01
-4.384824E+01
-1.078680E+01
-1.168172E+01
+1.153831E+01
+1.338142E+01
+2.155552E+01
+4.659071E+01
+2.813997E+01
+7.941672E+01
+3.270996E+01
+1.073664E+02
+3.639852E+01
+1.329148E+02
+3.729637E+01
+1.393474E+02
+3.443129E+01
+1.186461E+02
+2.832690E+01
+8.040998E+01
+2.177527E+01
+4.771147E+01
+1.146822E+01
+1.328252E+01
 tally 2:
-1.136805E+00
-1.292326E+00
-7.987282E-01
-6.379667E-01
-2.266961E+00
-5.139112E+00
-1.613498E+00
-2.603376E+00
-3.046379E+00
-9.280427E+00
-2.182480E+00
-4.763219E+00
-3.568101E+00
-1.273134E+01
-2.532478E+00
-6.413444E+00
-3.989532E+00
-1.591637E+01
-2.848319E+00
-8.112921E+00
-3.853139E+00
-1.484668E+01
-2.718497E+00
-7.390223E+00
-3.478134E+00
-1.209742E+01
-2.467279E+00
-6.087465E+00
-2.952214E+00
-8.715569E+00
-2.103257E+00
-4.423688E+00
-1.917446E+00
-3.676599E+00
-1.378361E+00
-1.899878E+00
-1.048230E+00
-1.098785E+00
-7.511876E-01
-5.642828E-01
+1.024353E+00
+1.049299E+00
+6.991057E-01
+4.887487E-01
+2.200432E+00
+4.841901E+00
+1.561655E+00
+2.438768E+00
+2.910400E+00
+8.470426E+00
+2.095155E+00
+4.389674E+00
+3.466006E+00
+1.201320E+01
+2.480456E+00
+6.152662E+00
+3.711781E+00
+1.377732E+01
+2.646019E+00
+7.001418E+00
+3.953648E+00
+1.563133E+01
+2.832759E+00
+8.024524E+00
+3.597870E+00
+1.294467E+01
+2.555396E+00
+6.530048E+00
+2.860871E+00
+8.184585E+00
+2.032282E+00
+4.130169E+00
+2.006740E+00
+4.027007E+00
+1.408150E+00
+1.982886E+00
+1.035163E+00
+1.071562E+00
+7.084068E-01
+5.018402E-01
 tally 3:
-7.701212E-01
-5.930866E-01
-4.481580E-02
-2.008456E-03
-1.547321E+00
-2.394203E+00
-1.226538E-01
-1.504395E-02
-2.106393E+00
-4.436893E+00
-1.450617E-01
-2.104289E-02
-2.437675E+00
-5.942260E+00
-1.521379E-01
-2.314593E-02
-2.754657E+00
-7.588135E+00
-1.745458E-01
-3.046622E-02
-2.623856E+00
-6.884619E+00
-1.851600E-01
-3.428423E-02
-2.376884E+00
-5.649579E+00
-1.615728E-01
-2.610576E-02
-2.021851E+00
-4.087882E+00
-1.533172E-01
-2.350617E-02
-1.333182E+00
-1.777374E+00
-7.076179E-02
-5.007231E-03
-7.258458E-01
-5.268521E-01
-3.656026E-02
-1.336653E-03
+6.713566E-01
+4.507196E-01
+5.581718E-02
+3.115557E-03
+1.508976E+00
+2.277009E+00
+1.139601E-01
+1.298690E-02
+2.035529E+00
+4.143377E+00
+1.221001E-01
+1.490843E-02
+2.385217E+00
+5.689262E+00
+1.500087E-01
+2.250260E-02
+2.546286E+00
+6.483574E+00
+1.546601E-01
+2.391975E-02
+2.726427E+00
+7.433407E+00
+1.686144E-01
+2.843081E-02
+2.466613E+00
+6.084179E+00
+1.558230E-01
+2.428079E-02
+1.951251E+00
+3.807379E+00
+1.197744E-01
+1.434590E-02
+1.347903E+00
+1.816842E+00
+9.419149E-02
+8.872037E-03
+6.840490E-01
+4.679231E-01
+5.000289E-02
+2.500289E-03
 tally 4:
-1.667426E-01
-2.780308E-02
+1.561665E-01
+2.438798E-02
 0.000000E+00
 0.000000E+00
-1.292556E-01
-1.670700E-02
-2.813401E-01
-7.915227E-02
+1.307011E-01
+1.708276E-02
+2.703168E-01
+7.307115E-02
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -128,14 +128,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-2.813401E-01
-7.915227E-02
-1.292556E-01
-1.670700E-02
-2.670582E-01
-7.132006E-02
-4.055365E-01
-1.644599E-01
+2.703168E-01
+7.307115E-02
+1.307011E-01
+1.708276E-02
+2.637619E-01
+6.957033E-02
+3.685390E-01
+1.358210E-01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -152,14 +152,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-4.055365E-01
-1.644599E-01
-2.670582E-01
-7.132006E-02
-3.848164E-01
-1.480837E-01
-4.809472E-01
-2.313102E-01
+3.685390E-01
+1.358210E-01
+2.637619E-01
+6.957033E-02
+3.887017E-01
+1.510890E-01
+4.439407E-01
+1.970834E-01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -176,14 +176,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-4.809472E-01
-2.313102E-01
-3.848164E-01
-1.480837E-01
-4.543959E-01
-2.064756E-01
-5.106174E-01
-2.607301E-01
+4.439407E-01
+1.970834E-01
+3.887017E-01
+1.510890E-01
+4.456116E-01
+1.985697E-01
+4.737035E-01
+2.243950E-01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -200,14 +200,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-5.106174E-01
-2.607301E-01
-4.543959E-01
-2.064756E-01
-4.543155E-01
-2.064026E-01
-4.626331E-01
-2.140294E-01
+4.737035E-01
+2.243950E-01
+4.456116E-01
+1.985697E-01
+4.760577E-01
+2.266309E-01
+4.703245E-01
+2.212052E-01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -224,14 +224,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-4.626331E-01
-2.140294E-01
-4.543155E-01
-2.064026E-01
-4.827763E-01
-2.330729E-01
-4.442611E-01
-1.973679E-01
+4.703245E-01
+2.212052E-01
+4.760577E-01
+2.266309E-01
+4.878056E-01
+2.379543E-01
+4.373120E-01
+1.912418E-01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -248,14 +248,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-4.442611E-01
-1.973679E-01
-4.827763E-01
-2.330729E-01
-4.630415E-01
-2.144074E-01
-3.886521E-01
-1.510505E-01
+4.373120E-01
+1.912418E-01
+4.878056E-01
+2.379543E-01
+4.262194E-01
+1.816630E-01
+3.334152E-01
+1.111657E-01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -272,14 +272,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-3.886521E-01
-1.510505E-01
-4.630415E-01
-2.144074E-01
-3.535862E-01
-1.250232E-01
-2.530293E-01
-6.402384E-02
+3.334152E-01
+1.111657E-01
+4.262194E-01
+1.816630E-01
+3.560156E-01
+1.267471E-01
+2.409954E-01
+5.807879E-02
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -296,14 +296,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-2.530293E-01
-6.402384E-02
-3.535862E-01
-1.250232E-01
-2.465508E-01
-6.078730E-02
-1.197139E-01
-1.433141E-02
+2.409954E-01
+5.807879E-02
+3.560156E-01
+1.267471E-01
+2.646501E-01
+7.003965E-02
+1.327244E-01
+1.761576E-02
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -320,12 +320,12 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-1.197139E-01
-1.433141E-02
-2.465508E-01
-6.078730E-02
-1.369614E-01
-1.875841E-02
+1.327244E-01
+1.761576E-02
+2.646501E-01
+7.003965E-02
+1.480567E-01
+2.192079E-02
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -345,119 +345,119 @@ tally 4:
 0.000000E+00
 0.000000E+00
 tally 5:
-7.701212E-01
-5.930866E-01
-1.386254E-01
-1.921700E-02
-1.547321E+00
-2.394203E+00
-2.630318E-01
-6.918571E-02
-2.106393E+00
-4.436893E+00
-2.807911E-01
-7.884363E-02
-2.435870E+00
-5.933464E+00
-3.322093E-01
-1.103630E-01
-2.753652E+00
-7.582597E+00
-3.825961E-01
-1.463797E-01
-2.623856E+00
-6.884619E+00
-3.888719E-01
-1.512213E-01
-2.376884E+00
-5.649579E+00
-3.196211E-01
-1.021576E-01
-2.021851E+00
-4.087882E+00
-2.897873E-01
-8.397667E-02
-1.333182E+00
-1.777374E+00
-1.627096E-01
-2.647441E-02
-7.258458E-01
-5.268521E-01
-9.348575E-02
-8.739586E-03
+6.713566E-01
+4.507196E-01
+9.805793E-02
+9.615358E-03
+1.508976E+00
+2.277009E+00
+1.968348E-01
+3.874394E-02
+2.032573E+00
+4.131353E+00
+2.120922E-01
+4.498309E-02
+2.385217E+00
+5.689262E+00
+2.863031E-01
+8.196946E-02
+2.545200E+00
+6.478041E+00
+3.278920E-01
+1.075131E-01
+2.726427E+00
+7.433407E+00
+3.770758E-01
+1.421861E-01
+2.466613E+00
+6.084179E+00
+3.593230E-01
+1.291130E-01
+1.951251E+00
+3.807379E+00
+2.474112E-01
+6.121229E-02
+1.347903E+00
+1.816842E+00
+2.127109E-01
+4.524594E-02
+6.823620E-01
+4.656179E-01
+1.249863E-01
+1.562159E-02
 cmfd indices
 1.000000E+01
 1.000000E+00
 1.000000E+00
 1.000000E+00
 k cmfd
-1.149087E+00
-1.156777E+00
-1.158641E+00
-1.159507E+00
-1.156564E+00
-1.160257E+00
-1.150344E+00
-1.149854E+00
-1.151616E+00
-1.164575E+00
-1.174683E+00
+1.181365E+00
+1.176693E+00
+1.161946E+00
+1.163565E+00
+1.163043E+00
+1.169908E+00
+1.149155E+00
+1.142379E+00
+1.152957E+00
+1.137602E+00
+1.141883E+00
 cmfd entropy
-3.216202E+00
-3.228703E+00
-3.220414E+00
-3.214361E+00
-3.215642E+00
-3.213607E+00
-3.212862E+00
-3.213128E+00
-3.213189E+00
-3.205465E+00
-3.202859E+00
+3.246422E+00
+3.246496E+00
+3.252238E+00
+3.240920E+00
+3.237606E+00
+3.234301E+00
+3.234103E+00
+3.229918E+00
+3.226983E+00
+3.221321E+00
+3.223622E+00
 cmfd balance
-3.08825E-03
-1.42554E-03
-1.21448E-03
-1.17859E-03
-1.06034E-03
-9.30949E-04
-1.35713E-03
-1.13694E-03
-1.14938E-03
-1.29296E-03
-1.46518E-03
+4.18486E-03
+1.72126E-03
+1.10906E-03
+1.88158E-03
+1.31626E-03
+1.30818E-03
+1.77315E-03
+2.16148E-03
+1.67789E-03
+2.31333E-03
+1.94932E-03
 cmfd dominance ratio
-5.503E-01
-5.596E-01
 5.505E-01
-5.471E-01
-5.468E-01
-5.427E-01
-5.421E-01
-5.412E-01
-5.389E-01
-5.371E-01
-5.329E-01
+5.580E-01
+5.610E-01
+5.526E-01
+5.519E-01
+5.499E-01
+5.504E-01
+5.504E-01
+5.475E-01
+5.465E-01
+5.477E-01
 cmfd openmc source comparison
-1.571006E-02
-6.945629E-03
-6.838511E-03
-6.183655E-03
-5.138825E-03
-4.362701E-03
-5.558586E-03
-4.188314E-03
-1.837101E-03
-2.737321E-03
-2.529244E-03
+1.902234E-03
+4.110960E-03
+2.452031E-03
+2.337951E-03
+1.838979E-03
+3.138637E-03
+2.684401E-03
+2.912891E-03
+2.823494E-03
+6.391584E-03
+5.904139E-03
 cmfd source
-4.240947E-02
-8.226746E-02
-1.180848E-01
-1.328470E-01
-1.412449E-01
-1.424870E-01
-1.269297E-01
-1.096476E-01
-6.953001E-02
-3.455212E-02
+4.488002E-02
+8.895136E-02
+1.085930E-01
+1.229651E-01
+1.330479E-01
+1.497140E-01
+1.309102E-01
+1.028556E-01
+7.738878E-02
+4.069397E-02
diff --git a/tests/regression_tests/cmfd_feed_rolling_window/results_true.dat b/tests/regression_tests/cmfd_feed_rolling_window/results_true.dat
index 5ff4a132f..2e31b35ba 100644
--- a/tests/regression_tests/cmfd_feed_rolling_window/results_true.dat
+++ b/tests/regression_tests/cmfd_feed_rolling_window/results_true.dat
@@ -1,117 +1,117 @@
 k-combined:
-1.173626E+00 1.098719E-02
+1.158333E+00 1.402684E-02
 tally 1:
-1.101892E+01
-1.218768E+01
-2.036233E+01
-4.152577E+01
-2.937587E+01
-8.637268E+01
-3.502389E+01
-1.231700E+02
-3.804803E+01
-1.453948E+02
-3.822561E+01
-1.465677E+02
-3.456290E+01
-1.198651E+02
-2.904088E+01
-8.470264E+01
-2.111529E+01
-4.463713E+01
-1.147633E+01
-1.326012E+01
+1.169478E+01
+1.373162E+01
+2.192038E+01
+4.844559E+01
+2.913292E+01
+8.542569E+01
+3.446069E+01
+1.201782E+02
+3.624088E+01
+1.320213E+02
+3.569791E+01
+1.278170E+02
+3.340601E+01
+1.119165E+02
+2.908648E+01
+8.514603E+01
+2.175458E+01
+4.767916E+01
+1.171268E+01
+1.378033E+01
 tally 2:
-1.010478E+00
-1.021066E+00
-6.902031E-01
-4.763804E-01
-1.899891E+00
-3.609584E+00
-1.322615E+00
-1.749312E+00
-2.756419E+00
-7.597845E+00
-1.955934E+00
-3.825676E+00
-3.818740E+00
-1.458278E+01
-2.704746E+00
-7.315652E+00
-3.920857E+00
-1.537312E+01
-2.843144E+00
-8.083470E+00
-3.835060E+00
-1.470768E+01
-2.728705E+00
-7.445831E+00
-3.510590E+00
-1.232424E+01
-2.497237E+00
-6.236191E+00
-2.717388E+00
-7.384198E+00
-1.903638E+00
-3.623837E+00
-2.207863E+00
-4.874659E+00
-1.563588E+00
-2.444808E+00
-1.289027E+00
-1.661591E+00
-9.022714E-01
-8.140937E-01
+1.132414E+00
+1.282361E+00
+7.822980E-01
+6.119901E-01
+2.124428E+00
+4.513196E+00
+1.490832E+00
+2.222581E+00
+3.158472E+00
+9.975946E+00
+2.221665E+00
+4.935795E+00
+3.994786E+00
+1.595831E+01
+2.828109E+00
+7.998199E+00
+3.491035E+00
+1.218732E+01
+2.461223E+00
+6.057617E+00
+3.461784E+00
+1.198395E+01
+2.473337E+00
+6.117398E+00
+3.027132E+00
+9.163527E+00
+2.150455E+00
+4.624458E+00
+2.471217E+00
+6.106911E+00
+1.737168E+00
+3.017752E+00
+1.880969E+00
+3.538044E+00
+1.316574E+00
+1.733367E+00
+1.233103E+00
+1.520543E+00
+8.543318E-01
+7.298828E-01
 tally 3:
-6.593197E-01
-4.347024E-01
-5.216387E-02
-2.721069E-03
-1.266446E+00
-1.603885E+00
-8.298797E-02
-6.887003E-03
-1.888709E+00
-3.567222E+00
-1.398940E-01
-1.957033E-02
-2.616078E+00
-6.843867E+00
-1.588627E-01
-2.523735E-02
-2.733300E+00
-7.470927E+00
-1.944290E-01
-3.780262E-02
-2.643656E+00
-6.988917E+00
-1.612338E-01
-2.599633E-02
-2.410643E+00
-5.811199E+00
-1.754603E-01
-3.078631E-02
-1.838012E+00
-3.378288E+00
-1.126265E-01
-1.268473E-02
-1.500033E+00
-2.250100E+00
-1.102554E-01
-1.215626E-02
-8.750096E-01
-7.656418E-01
-6.757592E-02
-4.566505E-03
+7.540113E-01
+5.685330E-01
+6.367610E-02
+4.054646E-03
+1.436984E+00
+2.064922E+00
+8.961822E-02
+8.031425E-03
+2.132240E+00
+4.546449E+00
+1.356065E-01
+1.838913E-02
+2.726356E+00
+7.433016E+00
+1.780572E-01
+3.170438E-02
+2.379700E+00
+5.662970E+00
+1.544735E-01
+2.386206E-02
+2.383471E+00
+5.680933E+00
+1.568319E-01
+2.459624E-02
+2.047271E+00
+4.191318E+00
+1.662654E-01
+2.764418E-02
+1.673107E+00
+2.799287E+00
+1.132020E-01
+1.281468E-02
+1.271576E+00
+1.616906E+00
+7.546797E-02
+5.695415E-03
+8.249906E-01
+6.806094E-01
+5.660098E-02
+3.203671E-03
 tally 4:
-1.490605E-01
-2.221904E-02
+1.551630E-01
+2.407556E-02
 0.000000E+00
 0.000000E+00
-1.139233E-01
-1.297851E-02
-2.549497E-01
-6.499934E-02
+1.487992E-01
+2.214121E-02
+2.878091E-01
+8.283409E-02
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -128,14 +128,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-2.549497E-01
-6.499934E-02
-1.139233E-01
-1.297851E-02
-2.191337E-01
-4.801958E-02
-3.295187E-01
-1.085826E-01
+2.878091E-01
+8.283409E-02
+1.487992E-01
+2.214121E-02
+2.936596E-01
+8.623595E-02
+3.954149E-01
+1.563529E-01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -152,14 +152,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-3.295187E-01
-1.085826E-01
-2.191337E-01
-4.801958E-02
-3.872400E-01
-1.499548E-01
-4.595835E-01
-2.112170E-01
+3.954149E-01
+1.563529E-01
+2.936596E-01
+8.623595E-02
+3.991153E-01
+1.592930E-01
+4.758410E-01
+2.264247E-01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -176,14 +176,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-4.595835E-01
-2.112170E-01
-3.872400E-01
-1.499548E-01
-4.668106E-01
-2.179121E-01
-5.112307E-01
-2.613569E-01
+4.758410E-01
+2.264247E-01
+3.991153E-01
+1.592930E-01
+4.850882E-01
+2.353106E-01
+5.210840E-01
+2.715285E-01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -200,14 +200,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-5.112307E-01
-2.613569E-01
-4.668106E-01
-2.179121E-01
-4.716605E-01
-2.224636E-01
-4.916148E-01
-2.416851E-01
+5.210840E-01
+2.715285E-01
+4.850882E-01
+2.353106E-01
+4.790245E-01
+2.294645E-01
+4.570092E-01
+2.088574E-01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -224,14 +224,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-4.916148E-01
-2.416851E-01
-4.716605E-01
-2.224636E-01
-4.696777E-01
-2.205972E-01
-4.365150E-01
-1.905453E-01
+4.570092E-01
+2.088574E-01
+4.790245E-01
+2.294645E-01
+4.505886E-01
+2.030301E-01
+3.884038E-01
+1.508575E-01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -248,14 +248,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-4.365150E-01
-1.905453E-01
-4.696777E-01
-2.205972E-01
-4.179902E-01
-1.747158E-01
-3.350564E-01
-1.122628E-01
+3.884038E-01
+1.508575E-01
+4.505886E-01
+2.030301E-01
+3.986999E-01
+1.589616E-01
+3.220889E-01
+1.037412E-01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -272,14 +272,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-3.350564E-01
-1.122628E-01
-4.179902E-01
-1.747158E-01
-3.743487E-01
-1.401370E-01
-2.400661E-01
-5.763172E-02
+3.220889E-01
+1.037412E-01
+3.986999E-01
+1.589616E-01
+3.319083E-01
+1.101631E-01
+2.101261E-01
+4.415297E-02
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -296,14 +296,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-2.400661E-01
-5.763172E-02
-3.743487E-01
-1.401370E-01
-3.063657E-01
-9.385994E-02
-1.605078E-01
-2.576275E-02
+2.101261E-01
+4.415297E-02
+3.319083E-01
+1.101631E-01
+2.795459E-01
+7.814588E-02
+1.306499E-01
+1.706938E-02
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -320,12 +320,12 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-1.605078E-01
-2.576275E-02
-3.063657E-01
-9.385994E-02
-1.700639E-01
-2.892174E-02
+1.306499E-01
+1.706938E-02
+2.795459E-01
+7.814588E-02
+1.585507E-01
+2.513833E-02
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -345,119 +345,119 @@ tally 4:
 0.000000E+00
 0.000000E+00
 tally 5:
-6.593197E-01
-4.347024E-01
-1.314196E-01
-1.727112E-02
-1.266446E+00
-1.603885E+00
-2.002491E-01
-4.009970E-02
-1.888709E+00
-3.567222E+00
-2.444522E-01
-5.975686E-02
-2.616078E+00
-6.843867E+00
-3.234935E-01
-1.046481E-01
-2.733300E+00
-7.470927E+00
-3.309500E-01
-1.095279E-01
-2.643656E+00
-6.988917E+00
-4.025014E-01
-1.620074E-01
-2.410643E+00
-5.811199E+00
-3.050040E-01
-9.302747E-02
-1.838012E+00
-3.378288E+00
-2.800764E-01
-7.844279E-02
-1.500033E+00
-2.250100E+00
-2.324765E-01
-5.404531E-02
-8.750096E-01
-7.656418E-01
-1.256919E-01
-1.579844E-02
+7.530237E-01
+5.670447E-01
+1.178984E-01
+1.390004E-02
+1.436984E+00
+2.064922E+00
+1.458395E-01
+2.126916E-02
+2.132240E+00
+4.546449E+00
+2.950109E-01
+8.703141E-02
+2.726356E+00
+7.433016E+00
+3.397288E-01
+1.154157E-01
+2.379700E+00
+5.662970E+00
+3.113206E-01
+9.692053E-02
+2.383471E+00
+5.680933E+00
+3.455611E-01
+1.194125E-01
+2.047271E+00
+4.191318E+00
+2.910986E-01
+8.473841E-02
+1.673107E+00
+2.799287E+00
+2.381996E-01
+5.673907E-02
+1.270672E+00
+1.614606E+00
+1.795241E-01
+3.222889E-02
+8.249906E-01
+6.806094E-01
+1.201397E-01
+1.443354E-02
 cmfd indices
 1.000000E+01
 1.000000E+00
 1.000000E+00
 1.000000E+00
 k cmfd
-1.166297E+00
-1.148237E+00
-1.162472E+00
-1.187078E+00
-1.188411E+00
-1.194879E+00
-1.216739E+00
-1.216829E+00
-1.196596E+00
-1.199223E+00
-1.211817E+00
+1.184474E+00
+1.188170E+00
+1.165127E+00
+1.135010E+00
+1.145439E+00
+1.158451E+00
+1.154420E+00
+1.179615E+00
+1.197843E+00
+1.181252E+00
+1.186316E+00
 cmfd entropy
-3.215349E+00
-3.225577E+00
-3.223357E+00
-3.208828E+00
-3.211072E+00
-3.206578E+00
-3.195799E+00
-3.198236E+00
-3.220074E+00
-3.230249E+00
-3.238015E+00
+3.243654E+00
+3.244091E+00
+3.249203E+00
+3.249952E+00
+3.245538E+00
+3.240838E+00
+3.238919E+00
+3.223131E+00
+3.216002E+00
+3.220324E+00
+3.224804E+00
 cmfd balance
-2.07468E-03
-2.39687E-03
-1.51020E-03
-2.07618E-03
-1.89367E-03
-2.00902E-03
-2.54856E-03
-2.43636E-03
-2.48527E-03
-3.07775E-03
-3.37967E-03
+4.21104E-03
+1.38052E-03
+1.34642E-03
+2.39255E-03
+2.07426E-03
+1.27927E-03
+2.26249E-03
+2.72103E-03
+2.71504E-03
+2.19156E-03
+1.91989E-03
 cmfd dominance ratio
-5.505E-01
-5.558E-01
-5.584E-01
-5.477E-01
-5.477E-01
-5.426E-01
-5.335E-01
-5.305E-01
-5.427E-01
+5.520E-01
+5.535E-01
+5.628E-01
+5.696E-01
+5.723E-01
+5.651E-01
+5.648E-01
+5.555E-01
+5.448E-01
+5.488E-01
 5.484E-01
-5.465E-01
 cmfd openmc source comparison
-5.598628E-03
-1.162952E-02
-1.083004E-02
-1.037470E-02
-5.649750E-03
-5.137914E-03
-3.868209E-03
-1.208756E-02
-5.398131E-03
-8.119598E-03
-4.573105E-03
+1.713810E-03
+2.429503E-03
+4.526209E-03
+7.978149E-03
+3.320012E-03
+3.880041E-03
+1.580215E-02
+1.663452E-02
+1.878103E-02
+7.436342E-03
+3.724478E-03
 cmfd source
-4.219187E-02
-8.692096E-02
-1.061389E-01
-1.199181E-01
-1.377328E-01
-1.326161E-01
-1.345872E-01
-1.112871E-01
-7.569533E-02
-5.291175E-02
+4.688167E-02
+9.066303E-02
+1.150679E-01
+1.430247E-01
+1.370466E-01
+1.267615E-01
+1.244218E-01
+1.048774E-01
+7.083441E-02
+4.042108E-02
diff --git a/tests/regression_tests/cmfd_nofeed/results_true.dat b/tests/regression_tests/cmfd_nofeed/results_true.dat
index 756aa4570..ea1a0230b 100644
--- a/tests/regression_tests/cmfd_nofeed/results_true.dat
+++ b/tests/regression_tests/cmfd_nofeed/results_true.dat
@@ -1,117 +1,117 @@
 k-combined:
-1.172893E+00 8.095197E-03
+1.169143E+00 7.248013E-03
 tally 1:
-1.156995E+01
-1.347019E+01
-2.120053E+01
-4.531200E+01
-2.995993E+01
-8.997889E+01
-3.498938E+01
-1.226414E+02
-3.794510E+01
-1.442188E+02
-3.798115E+01
-1.446436E+02
-3.415954E+01
-1.171635E+02
-2.960329E+01
-8.785532E+01
-2.182231E+01
-4.782353E+01
-1.147379E+01
-1.321150E+01
+1.115130E+01
+1.249933E+01
+2.147608E+01
+4.643964E+01
+2.923697E+01
+8.598273E+01
+3.439175E+01
+1.189653E+02
+3.729169E+01
+1.395456E+02
+3.709975E+01
+1.380839E+02
+3.415420E+01
+1.168226E+02
+2.895696E+01
+8.419764E+01
+2.140382E+01
+4.646784E+01
+1.125483E+01
+1.275812E+01
 tally 2:
-2.345900E+01
-2.783672E+01
-1.627300E+01
-1.339749E+01
-4.127267E+01
-8.563716E+01
-2.934800E+01
-4.334439E+01
-5.742644E+01
-1.658158E+02
-4.092600E+01
-8.423842E+01
-6.740126E+01
-2.279288E+02
-4.796500E+01
-1.154602E+02
-7.340327E+01
-2.701349E+02
-5.235900E+01
-1.374186E+02
-7.387392E+01
-2.740829E+02
-5.277400E+01
-1.398425E+02
-6.733428E+01
-2.274414E+02
-4.800100E+01
-1.156206E+02
-5.794970E+01
-1.685421E+02
-4.124600E+01
-8.540686E+01
-4.257013E+01
-9.092401E+01
-3.014500E+01
-4.566369E+01
-2.300274E+01
-2.659051E+01
-1.613400E+01
-1.307448E+01
+2.275147E+01
+2.604974E+01
+1.587800E+01
+1.271197E+01
+4.191959E+01
+8.846441E+01
+2.966500E+01
+4.430669E+01
+5.699815E+01
+1.637359E+02
+4.037600E+01
+8.219353E+01
+6.656851E+01
+2.228703E+02
+4.718000E+01
+1.119941E+02
+7.334215E+01
+2.701014E+02
+5.223500E+01
+1.370726E+02
+7.394394E+01
+2.748295E+02
+5.273400E+01
+1.397334E+02
+6.931604E+01
+2.406234E+02
+4.949000E+01
+1.226886E+02
+5.799672E+01
+1.687992E+02
+4.142300E+01
+8.612116E+01
+4.320102E+01
+9.402138E+01
+3.068300E+01
+4.749148E+01
+2.295257E+01
+2.657057E+01
+1.606200E+01
+1.301453E+01
 tally 3:
-1.564900E+01
-1.239852E+01
-1.086873E+00
-6.047264E-02
-2.821700E+01
-4.006730E+01
-1.855830E+00
-1.755984E-01
-3.946300E+01
-7.833997E+01
-2.523142E+00
-3.210725E-01
-4.622500E+01
-1.072588E+02
-2.919735E+00
-4.340292E-01
-5.033400E+01
-1.270010E+02
-3.243022E+00
-5.318534E-01
-5.082400E+01
-1.297502E+02
-3.313898E+00
-5.546608E-01
-4.623700E+01
-1.072944E+02
-2.887766E+00
-4.203084E-01
-3.975000E+01
-7.934279E+01
-2.567158E+00
-3.333121E-01
-2.903500E+01
-4.237270E+01
-1.852070E+00
-1.733821E-01
-1.557800E+01
-1.219084E+01
-9.951884E-01
-5.121758E-02
+1.528200E+01
+1.177982E+01
+1.040687E+00
+5.586386E-02
+2.857900E+01
+4.113603E+01
+1.871515E+00
+1.774689E-01
+3.888800E+01
+7.626262E+01
+2.534433E+00
+3.274088E-01
+4.541400E+01
+1.037867E+02
+2.926509E+00
+4.319780E-01
+5.034500E+01
+1.273517E+02
+3.215813E+00
+5.215716E-01
+5.076100E+01
+1.295218E+02
+3.194424E+00
+5.165993E-01
+4.768100E+01
+1.138949E+02
+3.058255E+00
+4.732131E-01
+3.995800E+01
+8.015691E+01
+2.454286E+00
+3.044948E-01
+2.957000E+01
+4.412743E+01
+1.938963E+00
+1.908501E-01
+1.544000E+01
+1.202869E+01
+1.038073E+00
+5.487827E-02
 tally 4:
-3.111000E+00
-4.872850E-01
+3.086000E+00
+4.780160E-01
 0.000000E+00
 0.000000E+00
-2.794000E+00
-3.972060E-01
-5.520000E+00
-1.535670E+00
+2.739000E+00
+3.790990E-01
+5.478000E+00
+1.505928E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -128,14 +128,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-5.520000E+00
-1.535670E+00
-2.794000E+00
-3.972060E-01
-5.071000E+00
-1.305697E+00
-7.303000E+00
-2.685365E+00
+5.478000E+00
+1.505928E+00
+2.739000E+00
+3.790990E-01
+5.094000E+00
+1.310476E+00
+7.282000E+00
+2.669810E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -152,14 +152,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-7.303000E+00
-2.685365E+00
-5.071000E+00
-1.305697E+00
-7.015000E+00
-2.471981E+00
-8.545000E+00
-3.670539E+00
+7.282000E+00
+2.669810E+00
+5.094000E+00
+1.310476E+00
+6.987000E+00
+2.461137E+00
+8.487000E+00
+3.624153E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -176,14 +176,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-8.545000E+00
-3.670539E+00
-7.015000E+00
-2.471981E+00
-8.431000E+00
-3.570057E+00
-9.224000E+00
-4.268004E+00
+8.487000E+00
+3.624153E+00
+6.987000E+00
+2.461137E+00
+8.250000E+00
+3.421824E+00
+9.022000E+00
+4.088536E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -200,14 +200,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-9.224000E+00
-4.268004E+00
-8.431000E+00
-3.570057E+00
-9.217000E+00
-4.259749E+00
-9.305000E+00
-4.340149E+00
+9.022000E+00
+4.088536E+00
+8.250000E+00
+3.421824E+00
+9.300000E+00
+4.344142E+00
+9.262000E+00
+4.308946E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -224,14 +224,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-9.305000E+00
-4.340149E+00
-9.217000E+00
-4.259749E+00
-9.374000E+00
-4.415290E+00
-8.611000E+00
-3.718227E+00
+9.262000E+00
+4.308946E+00
+9.300000E+00
+4.344142E+00
+9.267000E+00
+4.310941E+00
+8.487000E+00
+3.613257E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -248,14 +248,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-8.611000E+00
-3.718227E+00
-9.374000E+00
-4.415290E+00
-8.515000E+00
-3.639945E+00
-7.056000E+00
-2.501658E+00
+8.487000E+00
+3.613257E+00
+9.267000E+00
+4.310941E+00
+8.682000E+00
+3.778194E+00
+7.123000E+00
+2.544345E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -272,14 +272,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-7.056000E+00
-2.501658E+00
-8.515000E+00
-3.639945E+00
-7.385000E+00
-2.737677E+00
-5.194000E+00
-1.356022E+00
+7.123000E+00
+2.544345E+00
+8.682000E+00
+3.778194E+00
+7.421000E+00
+2.773897E+00
+5.198000E+00
+1.369216E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -296,14 +296,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-5.194000E+00
-1.356022E+00
-7.385000E+00
-2.737677E+00
-5.436000E+00
-1.481654E+00
-2.756000E+00
-3.843860E-01
+5.198000E+00
+1.369216E+00
+7.421000E+00
+2.773897E+00
+5.567000E+00
+1.561013E+00
+2.763000E+00
+3.882750E-01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -320,12 +320,12 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-2.756000E+00
-3.843860E-01
-5.436000E+00
-1.481654E+00
-3.030000E+00
-4.643920E-01
+2.763000E+00
+3.882750E-01
+5.567000E+00
+1.561013E+00
+3.106000E+00
+4.853380E-01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -345,144 +345,144 @@ tally 4:
 0.000000E+00
 0.000000E+00
 tally 5:
-1.564300E+01
-1.238861E+01
-2.090227E+00
-2.262627E-01
-2.821400E+01
-4.005826E+01
-3.870834E+00
-7.614623E-01
-3.945400E+01
-7.830326E+01
-5.290557E+00
-1.422339E+00
-4.621500E+01
-1.072116E+02
-6.144745E+00
-1.903309E+00
-5.032900E+01
-1.269756E+02
-6.867524E+00
-2.373593E+00
-5.081000E+01
-1.296784E+02
-6.456283E+00
-2.130767E+00
-4.623000E+01
-1.072613E+02
-5.931623E+00
-1.776451E+00
-3.974500E+01
-7.932288E+01
-5.339603E+00
-1.456812E+00
-2.902800E+01
-4.235232E+01
-4.102240E+00
-8.519551E-01
-1.557800E+01
-1.219084E+01
-2.137954E+00
-2.347770E-01
+1.527700E+01
+1.177204E+01
+2.285003E+00
+2.661382E-01
+2.857200E+01
+4.111506E+01
+4.126099E+00
+8.737996E-01
+3.887800E+01
+7.622094E+01
+5.121343E+00
+1.333837E+00
+4.540600E+01
+1.037492E+02
+6.160114E+00
+1.913665E+00
+5.033400E+01
+1.272949E+02
+6.859861E+00
+2.384476E+00
+5.075800E+01
+1.295055E+02
+6.929393E+00
+2.443364E+00
+4.767500E+01
+1.138658E+02
+6.385463E+00
+2.080293E+00
+3.995300E+01
+8.013651E+01
+5.620641E+00
+1.603844E+00
+2.956200E+01
+4.410395E+01
+3.952701E+00
+7.877105E-01
+1.543500E+01
+1.202080E+01
+2.203583E+00
+2.512936E-01
 cmfd indices
 1.000000E+01
 1.000000E+00
 1.000000E+00
 1.000000E+00
 k cmfd
-1.129918E+00
-1.148352E+00
-1.143137E+00
-1.145795E+00
-1.147285E+00
-1.148588E+00
-1.148151E+00
-1.162118E+00
-1.165380E+00
-1.162851E+00
-1.163379E+00
-1.166986E+00
-1.167838E+00
-1.171743E+00
-1.170398E+00
-1.169773E+00
+1.169107E+00
+1.173852E+00
+1.181921E+00
+1.187733E+00
+1.185766E+00
+1.177020E+00
+1.181200E+00
+1.180088E+00
+1.180676E+00
+1.174948E+00
+1.174167E+00
+1.174935E+00
+1.169912E+00
+1.169058E+00
+1.170366E+00
+1.169774E+00
 cmfd entropy
-3.224769E+00
-3.222795E+00
-3.221174E+00
-3.222164E+00
-3.221025E+00
-3.220967E+00
-3.223497E+00
-3.219213E+00
-3.221679E+00
-3.222084E+00
-3.222281E+00
-3.222540E+00
-3.224614E+00
-3.224193E+00
-3.224925E+00
-3.224367E+00
+3.207640E+00
+3.212075E+00
+3.215463E+00
+3.219545E+00
+3.225225E+00
+3.227103E+00
+3.229048E+00
+3.228263E+00
+3.229077E+00
+3.229932E+00
+3.229351E+00
+3.228195E+00
+3.228493E+00
+3.227823E+00
+3.225830E+00
+3.227270E+00
 cmfd balance
-3.90454E-03
-4.33180E-03
-3.77057E-03
-3.16391E-03
-3.11765E-03
-2.59886E-03
-2.81060E-03
-3.25473E-03
-2.68544E-03
-2.01716E-03
-1.89350E-03
-1.79159E-03
-1.51353E-03
-1.48514E-03
-1.50207E-03
-1.44045E-03
+4.88208E-03
+4.63702E-03
+3.41158E-03
+2.99755E-03
+2.78360E-03
+3.31542E-03
+2.64344E-03
+2.04609E-03
+1.84340E-03
+1.65450E-03
+1.70816E-03
+1.69952E-03
+1.51417E-03
+1.32738E-03
+1.41435E-03
+1.01462E-03
 cmfd dominance ratio
-5.539E-01
-5.522E-01
-5.491E-01
-5.511E-01
-5.506E-01
-5.523E-01
-5.523E-01
+5.467E-01
+5.468E-01
+5.448E-01
+5.457E-01
+5.457E-01
+5.485E-01
+5.500E-01
+5.497E-01
+5.495E-01
+5.499E-01
+5.502E-01
+5.485E-01
+5.492E-01
+5.483E-01
 5.473E-01
-5.478E-01
-5.461E-01
-5.462E-01
-5.459E-01
-5.475E-01
-5.463E-01
 5.466E-01
-5.469E-01
 cmfd openmc source comparison
-9.875240E-03
-1.119358E-02
-8.513903E-03
-7.728971E-03
-5.993771E-03
-5.837301E-03
-4.861789E-03
-5.624038E-03
-4.297229E-03
-4.029732E-03
-3.669197E-03
-3.598834E-03
-3.023310E-03
-3.347346E-03
-2.943658E-03
-2.764986E-03
+9.587418E-03
+7.785087E-03
+6.798967E-03
+5.947641E-03
+4.980801E-03
+4.272665E-03
+4.073759E-03
+4.305612E-03
+3.572759E-03
+3.785830E-03
+3.766828E-03
+3.495462E-03
+3.017281E-03
+2.857633E-03
+2.858606E-03
+2.449010E-03
 cmfd source
-4.561921E-02
-7.896381E-02
-1.084687E-01
-1.264057E-01
-1.408942E-01
-1.438180E-01
-1.247333E-01
-1.100896E-01
-7.897187E-02
-4.203556E-02
+4.390084E-02
+7.966902E-02
+1.087889E-01
+1.263915E-01
+1.394331E-01
+1.383156E-01
+1.319970E-01
+1.051339E-01
+8.248244E-02
+4.388774E-02
diff --git a/tests/regression_tests/cmfd_restart/results_true.dat b/tests/regression_tests/cmfd_restart/results_true.dat
index f5f22d9ac..1ef9624d4 100644
--- a/tests/regression_tests/cmfd_restart/results_true.dat
+++ b/tests/regression_tests/cmfd_restart/results_true.dat
@@ -1,117 +1,117 @@
 k-combined:
-1.164262E+00 9.207592E-03
+1.181723E+00 9.944883E-03
 tally 1:
-1.156972E+01
-1.339924E+01
-2.136306E+01
-4.567185E+01
-2.859527E+01
-8.195821E+01
-3.470754E+01
-1.207851E+02
-3.766403E+01
-1.422263E+02
-3.778821E+01
-1.432660E+02
-3.573197E+01
-1.278854E+02
-2.849979E+01
-8.135515E+01
-2.073803E+01
-4.303374E+01
-1.112117E+01
-1.242944E+01
+1.169899E+01
+1.373251E+01
+2.142380E+01
+4.605511E+01
+2.968085E+01
+8.838716E+01
+3.561418E+01
+1.271206E+02
+3.777783E+01
+1.428817E+02
+3.805832E+01
+1.450213E+02
+3.439836E+01
+1.184892E+02
+2.852438E+01
+8.161896E+01
+2.088423E+01
+4.376204E+01
+1.076670E+01
+1.168108E+01
 tally 2:
-2.388054E+01
-2.875255E+01
-1.667791E+01
-1.403426E+01
-4.224771E+01
-8.942109E+01
-2.993088E+01
-4.490335E+01
-5.689839E+01
-1.625557E+02
-4.043633E+01
-8.212299E+01
-6.764024E+01
-2.297126E+02
-4.807902E+01
-1.161468E+02
-7.314835E+01
-2.684645E+02
-5.203584E+01
-1.359261E+02
-7.375727E+01
-2.733105E+02
-5.252944E+01
-1.386205E+02
-6.909571E+01
-2.397721E+02
-4.922548E+01
-1.217465E+02
-5.685978E+01
-1.621746E+02
-4.051938E+01
-8.237277E+01
-4.185562E+01
-8.784067E+01
-2.983570E+01
-4.467414E+01
-2.238373E+01
-2.520356E+01
-1.566758E+01
-1.234103E+01
+2.321241E+01
+2.702156E+01
+1.620912E+01
+1.317752E+01
+4.197404E+01
+8.845008E+01
+2.982666E+01
+4.469221E+01
+5.810089E+01
+1.695857E+02
+4.134123E+01
+8.588866E+01
+6.982488E+01
+2.447068E+02
+4.966939E+01
+1.238763E+02
+7.428421E+01
+2.767613E+02
+5.287955E+01
+1.403163E+02
+7.447402E+01
+2.785012E+02
+5.324628E+01
+1.423393E+02
+6.895164E+01
+2.381937E+02
+4.916366E+01
+1.211701E+02
+5.679253E+01
+1.617881E+02
+4.043125E+01
+8.204061E+01
+4.218618E+01
+8.933666E+01
+2.978592E+01
+4.456592E+01
+2.196426E+01
+2.435867E+01
+1.525576E+01
+1.175879E+01
 tally 3:
-1.609520E+01
-1.307542E+01
-1.033429E+00
-5.510889E-02
-2.877073E+01
-4.149542E+01
-1.964219E+00
-1.954692E-01
-3.896816E+01
-7.629752E+01
-2.484053E+00
-3.103733E-01
-4.634285E+01
-1.079367E+02
-2.974750E+00
-4.468223E-01
-5.007964E+01
-1.259202E+02
-3.181802E+00
-5.103621E-01
-5.058915E+01
-1.286193E+02
-3.249442E+00
-5.337712E-01
-4.744464E+01
-1.131026E+02
-3.067644E+00
-4.736335E-01
-3.900632E+01
-7.634433E+01
-2.443552E+00
-3.028060E-01
-2.874166E+01
-4.146375E+01
-1.810421E+00
-1.671667E-01
-1.509222E+01
-1.145579E+01
-1.014919E+00
-5.391053E-02
+1.563788E+01
+1.226528E+01
+1.053289E+00
+5.666942E-02
+2.870755E+01
+4.139654E+01
+1.838017E+00
+1.710528E-01
+3.978616E+01
+7.955764E+01
+2.560657E+00
+3.334449E-01
+4.780385E+01
+1.147770E+02
+3.139243E+00
+4.967628E-01
+5.106650E+01
+1.308704E+02
+3.170056E+00
+5.078920E-01
+5.123992E+01
+1.318586E+02
+3.211706E+00
+5.205979E-01
+4.729862E+01
+1.121695E+02
+3.068662E+00
+4.749488E-01
+3.898816E+01
+7.630564E+01
+2.516911E+00
+3.199696E-01
+2.865357E+01
+4.125742E+01
+1.852314E+00
+1.741116E-01
+1.467340E+01
+1.088460E+01
+9.268633E-01
+4.450662E-02
 tally 4:
-3.148231E+00
-4.974555E-01
+3.029754E+00
+4.613561E-01
 0.000000E+00
 0.000000E+00
-2.805439E+00
-3.982239E-01
-5.574031E+00
-1.561105E+00
+2.832501E+00
+4.049252E-01
+5.517243E+00
+1.527794E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -128,14 +128,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-5.574031E+00
-1.561105E+00
-2.805439E+00
-3.982239E-01
-5.171038E+00
-1.344877E+00
-7.372031E+00
-2.725420E+00
+5.517243E+00
+1.527794E+00
+2.832501E+00
+4.049252E-01
+5.117178E+00
+1.316972E+00
+7.333303E+00
+2.701677E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -152,14 +152,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-7.372031E+00
-2.725420E+00
-5.171038E+00
-1.344877E+00
-6.946847E+00
-2.424850E+00
-8.496610E+00
-3.627542E+00
+7.333303E+00
+2.701677E+00
+5.117178E+00
+1.316972E+00
+7.248464E+00
+2.641591E+00
+8.817788E+00
+3.905530E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -176,14 +176,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-8.496610E+00
-3.627542E+00
-6.946847E+00
-2.424850E+00
-8.479501E+00
-3.607280E+00
-9.261869E+00
-4.305912E+00
+8.817788E+00
+3.905530E+00
+7.248464E+00
+2.641591E+00
+8.646465E+00
+3.749847E+00
+9.460948E+00
+4.495388E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -200,14 +200,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-9.261869E+00
-4.305912E+00
-8.479501E+00
-3.607280E+00
-9.232858E+00
-4.278432E+00
-9.306384E+00
-4.348594E+00
+9.460948E+00
+4.495388E+00
+8.646465E+00
+3.749847E+00
+9.379341E+00
+4.415049E+00
+9.278640E+00
+4.320720E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -224,14 +224,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-9.306384E+00
-4.348594E+00
-9.232858E+00
-4.278432E+00
-9.299764E+00
-4.347828E+00
-8.511976E+00
-3.639893E+00
+9.278640E+00
+4.320720E+00
+9.379341E+00
+4.415049E+00
+9.465746E+00
+4.498591E+00
+8.656146E+00
+3.760545E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -248,14 +248,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-8.511976E+00
-3.639893E+00
-9.299764E+00
-4.347828E+00
-8.726086E+00
-3.819567E+00
-7.147277E+00
-2.562747E+00
+8.656146E+00
+3.760545E+00
+9.465746E+00
+4.498591E+00
+8.589782E+00
+3.700308E+00
+6.996002E+00
+2.456935E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -272,14 +272,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-7.147277E+00
-2.562747E+00
-8.726086E+00
-3.819567E+00
-7.218790E+00
-2.612243E+00
-5.018287E+00
-1.263077E+00
+6.996002E+00
+2.456935E+00
+8.589782E+00
+3.700308E+00
+7.352050E+00
+2.714808E+00
+5.105164E+00
+1.312559E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -296,14 +296,14 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-5.018287E+00
-1.263077E+00
-7.218790E+00
-2.612243E+00
-5.443494E+00
-1.487018E+00
-2.732334E+00
-3.773047E-01
+5.105164E+00
+1.312559E+00
+7.352050E+00
+2.714808E+00
+5.442756E+00
+1.486776E+00
+2.697305E+00
+3.675580E-01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -320,12 +320,12 @@ tally 4:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-2.732334E+00
-3.773047E-01
-5.443494E+00
-1.487018E+00
-3.044773E+00
-4.655756E-01
+2.697305E+00
+3.675580E-01
+5.442756E+00
+1.486776E+00
+3.017025E+00
+4.571443E-01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -345,144 +345,144 @@ tally 4:
 0.000000E+00
 0.000000E+00
 tally 5:
-1.609029E+01
-1.306718E+01
-2.230601E+00
-2.559496E-01
-2.876780E+01
-4.148686E+01
-3.835952E+00
-7.456562E-01
-3.895738E+01
-7.625344E+01
-4.841024E+00
-1.197335E+00
-4.633595E+01
-1.079043E+02
-6.236821E+00
-1.963311E+00
-5.007472E+01
-1.258967E+02
-6.749745E+00
-2.297130E+00
-5.058336E+01
-1.285894E+02
-6.727612E+00
-2.315656E+00
-4.743869E+01
-1.130735E+02
-6.338193E+00
-2.042159E+00
-3.899838E+01
-7.631289E+01
-5.187573E+00
-1.359733E+00
-2.873434E+01
-4.144233E+01
-3.815610E+00
-7.367619E-01
-1.509020E+01
-1.145268E+01
-2.125767E+00
-2.341894E-01
+1.563588E+01
+1.226217E+01
+2.209027E+00
+2.507131E-01
+2.870034E+01
+4.137550E+01
+3.726620E+00
+7.021948E-01
+3.977762E+01
+7.952285E+01
+5.304975E+00
+1.427333E+00
+4.779747E+01
+1.147456E+02
+6.528302E+00
+2.151715E+00
+5.105366E+01
+1.308037E+02
+6.986782E+00
+2.467487E+00
+5.123380E+01
+1.318264E+02
+6.845633E+00
+2.383542E+00
+4.729296E+01
+1.121433E+02
+6.252695E+00
+1.977351E+00
+3.898236E+01
+7.628315E+01
+5.461495E+00
+1.528579E+00
+2.864576E+01
+4.123538E+01
+3.857301E+00
+7.581323E-01
+1.467047E+01
+1.088031E+01
+2.277024E+00
+2.679801E-01
 cmfd indices
 1.000000E+01
 1.000000E+00
 1.000000E+00
 1.000000E+00
 k cmfd
-1.129918E+00
-1.143848E+00
-1.147976E+00
-1.151534E+00
-1.152378E+00
-1.148219E+00
-1.150402E+00
-1.154647E+00
-1.156159E+00
-1.160048E+00
-1.167441E+00
-1.168163E+00
-1.168629E+00
-1.164120E+00
-1.165051E+00
-1.169177E+00
+1.169107E+00
+1.175079E+00
+1.173912E+00
+1.175368E+00
+1.174026E+00
+1.181745E+00
+1.182261E+00
+1.183559E+00
+1.178691E+00
+1.179222E+00
+1.179017E+00
+1.172979E+00
+1.175043E+00
+1.173458E+00
+1.174152E+00
+1.171451E+00
 cmfd entropy
-3.224769E+00
-3.225945E+00
-3.227421E+00
-3.226174E+00
-3.224429E+00
-3.227049E+00
-3.230710E+00
-3.230315E+00
-3.226825E+00
-3.226655E+00
-3.226588E+00
-3.224155E+00
-3.223246E+00
-3.222640E+00
-3.223920E+00
-3.222838E+00
+3.207640E+00
+3.210547E+00
+3.212218E+00
+3.209573E+00
+3.211619E+00
+3.212126E+00
+3.213163E+00
+3.214288E+00
+3.215737E+00
+3.213677E+00
+3.214925E+00
+3.215612E+00
+3.216708E+00
+3.221454E+00
+3.219048E+00
+3.218387E+00
 cmfd balance
-3.90454E-03
-4.08089E-03
-3.46511E-03
-4.09535E-03
-2.62009E-03
-2.23559E-03
-2.54033E-03
-2.12799E-03
-2.25864E-03
-1.85766E-03
-1.49916E-03
-1.63471E-03
-1.48377E-03
-1.59800E-03
-1.37354E-03
-1.32853E-03
+4.88208E-03
+4.75139E-03
+3.15783E-03
+3.67091E-03
+2.99797E-03
+2.91060E-03
+2.06576E-03
+1.83482E-03
+1.56292E-03
+1.58659E-03
+2.32986E-03
+1.47376E-03
+1.46673E-03
+1.22627E-03
+1.31963E-03
+1.26456E-03
 cmfd dominance ratio
-5.539E-01
-5.537E-01
-5.536E-01
-5.515E-01
-5.512E-01
-5.514E-01
-5.518E-01
-5.507E-01
-5.500E-01
-5.497E-01
-5.477E-01
-5.461E-01
-5.444E-01
-5.445E-01
-5.454E-01
+5.467E-01
+5.453E-01
+5.458E-01
+5.436E-01
+5.442E-01
+5.406E-01
+5.401E-01
+5.413E-01
+4.995E-01
+5.396E-01
+5.409E-01
+5.414E-01
+5.423E-01
+5.456E-01
+5.442E-01
 5.441E-01
 cmfd openmc source comparison
-9.875240E-03
-1.106163E-02
-9.847628E-03
-6.065921E-03
-5.772039E-03
-4.615656E-03
-4.244331E-03
-3.694299E-03
-3.545814E-03
-3.213063E-03
-3.467537E-03
-3.383489E-03
-3.697591E-03
-3.937358E-03
-3.369124E-03
-3.190359E-03
+9.587418E-03
+8.150978E-03
+6.677661E-03
+6.334727E-03
+5.153692E-03
+5.082964E-03
+4.633153E-03
+4.037383E-03
+3.528742E-03
+4.559089E-03
+3.517370E-03
+3.306117E-03
+2.913809E-03
+1.906045E-03
+1.932794E-03
+1.711341E-03
 cmfd source
-4.360494E-02
-8.397599E-02
-1.074181E-01
-1.294531E-01
-1.385611E-01
-1.407934E-01
-1.325191E-01
-1.044311E-01
-7.660359E-02
-4.263941E-02
+4.496492E-02
+7.869674E-02
+1.100280E-01
+1.354045E-01
+1.363339E-01
+1.380533E-01
+1.314512E-01
+1.077480E-01
+7.847306E-02
+3.884630E-02
diff --git a/tests/regression_tests/complex_cell/results_true.dat b/tests/regression_tests/complex_cell/results_true.dat
index 3ce3d7cbc..ddedb07ff 100644
--- a/tests/regression_tests/complex_cell/results_true.dat
+++ b/tests/regression_tests/complex_cell/results_true.dat
@@ -1,11 +1,11 @@
 k-combined:
-2.564169E-01 4.095378E-03
+2.603220E-01 1.429366E-03
 tally 1:
-2.607144E+00
-1.360414E+00
-2.681079E+00
-1.439354E+00
-9.627534E-01
-1.855496E-01
-1.123751E-01
+2.624819E+00
+1.378200E+00
+2.730035E+00
+1.492361E+00
+1.013707E+00
+2.055807E-01
+1.123257E-01
 2.530233E-03
diff --git a/tests/regression_tests/confidence_intervals/results_true.dat b/tests/regression_tests/confidence_intervals/results_true.dat
index 6a906d07e..8ca256624 100644
--- a/tests/regression_tests/confidence_intervals/results_true.dat
+++ b/tests/regression_tests/confidence_intervals/results_true.dat
@@ -1,5 +1,5 @@
 k-combined:
-2.759923E-01 6.988588E-03
+2.850178E-01 9.646334E-03
 tally 1:
-6.167984E+01
-4.772717E+02
+6.234169E+01
+4.884167E+02
diff --git a/tests/regression_tests/cpp_driver/results_true.dat b/tests/regression_tests/cpp_driver/results_true.dat
index 26f07842c..09f188db6 100644
--- a/tests/regression_tests/cpp_driver/results_true.dat
+++ b/tests/regression_tests/cpp_driver/results_true.dat
@@ -1,13 +1,13 @@
 k-combined:
-1.953962E+00 1.828426E-02
+1.874924E+00 2.180236E-02
 tally 1:
-9.607953E+01
-1.031898E+03
-2.853683E+01
-9.085469E+01
-9.745011E+01
-1.058928E+03
-2.220665E+02
-5.496813E+03
-2.220665E+02
-5.496813E+03
+9.484447E+01
+1.002269E+03
+2.746252E+01
+8.406603E+01
+9.833099E+01
+1.076376E+03
+2.206380E+02
+5.417609E+03
+2.206380E+02
+5.417609E+03
diff --git a/tests/regression_tests/dagmc/external/results_true.dat b/tests/regression_tests/dagmc/external/results_true.dat
index cda656937..9a6b481b7 100644
--- a/tests/regression_tests/dagmc/external/results_true.dat
+++ b/tests/regression_tests/dagmc/external/results_true.dat
@@ -1,5 +1,5 @@
 k-combined:
-9.118190E-01 3.615552E-02
+1.083415E+00 5.991738E-02
 tally 1:
-8.430103E+00
-1.442878E+01
+8.862860E+00
+1.602117E+01
diff --git a/tests/regression_tests/dagmc/legacy/results_true.dat b/tests/regression_tests/dagmc/legacy/results_true.dat
index cda656937..9a6b481b7 100644
--- a/tests/regression_tests/dagmc/legacy/results_true.dat
+++ b/tests/regression_tests/dagmc/legacy/results_true.dat
@@ -1,5 +1,5 @@
 k-combined:
-9.118190E-01 3.615552E-02
+1.083415E+00 5.991738E-02
 tally 1:
-8.430103E+00
-1.442878E+01
+8.862860E+00
+1.602117E+01
diff --git a/tests/regression_tests/dagmc/refl/results_true.dat b/tests/regression_tests/dagmc/refl/results_true.dat
index 533c62a90..b49a4a7a4 100644
--- a/tests/regression_tests/dagmc/refl/results_true.dat
+++ b/tests/regression_tests/dagmc/refl/results_true.dat
@@ -1,5 +1,5 @@
 k-combined:
-2.035173E+00 3.967029E-02
+2.047107E+00 8.605767E-02
 tally 1:
-1.064492E+01
-2.301019E+01
+1.145034E+01
+2.636875E+01
diff --git a/tests/regression_tests/dagmc/universes/inputs_true.dat b/tests/regression_tests/dagmc/universes/inputs_true.dat
index 2fa79d831..be1a17383 100644
--- a/tests/regression_tests/dagmc/universes/inputs_true.dat
+++ b/tests/regression_tests/dagmc/universes/inputs_true.dat
@@ -48,6 +48,14 @@
     <particles>100</particles>
     <batches>10</batches>
     <inactive>5</inactive>
+    <source type="independent" strength="1.0" particle="neutron">
+      <space type="box">
+        <parameters>-10.0 -10.0 -24.0 10.0 10.0 24.0</parameters>
+      </space>
+      <constraints>
+        <fissionable>true</fissionable>
+      </constraints>
+    </source>
     <output>
       <summary>false</summary>
     </output>
diff --git a/tests/regression_tests/dagmc/universes/results_true.dat b/tests/regression_tests/dagmc/universes/results_true.dat
index 76cbc9db0..aacb7d1ab 100644
--- a/tests/regression_tests/dagmc/universes/results_true.dat
+++ b/tests/regression_tests/dagmc/universes/results_true.dat
@@ -1,13 +1,13 @@
 k-combined:
-9.887663E-01 1.510336E-02
+9.719586E-01 3.630894E-02
 tally 1:
-4.340758E+00
-4.265459E+00
-4.712319E+00
-4.654778E+00
-4.151897E+00
-3.588090E+00
-2.965925E+00
-1.852746E+00
+4.463288E+00
+4.136647E+00
+4.769631E+00
+4.622840E+00
+4.315273E+00
+3.871129E+00
+4.091804E+00
+3.582192E+00
 0.000000E+00
 0.000000E+00
diff --git a/tests/regression_tests/dagmc/universes/test.py b/tests/regression_tests/dagmc/universes/test.py
index 057a7b0d4..d68c6b11c 100644
--- a/tests/regression_tests/dagmc/universes/test.py
+++ b/tests/regression_tests/dagmc/universes/test.py
@@ -11,81 +11,87 @@ pytestmark = pytest.mark.skipif(
     reason="DAGMC CAD geometry is not enabled.")
 
 
-class DAGMCUniverseTest(PyAPITestHarness):
-    def __init__(self, *args, **kwargs):
-        super().__init__(*args, **kwargs)
+@pytest.fixture
+def pin_lattice_model():
+    ### MATERIALS ###
+    fuel = openmc.Material(name='no-void fuel')
+    fuel.set_density('g/cc', 10.29769)
+    fuel.add_nuclide('U234', 0.93120485)
+    fuel.add_nuclide('U235', 0.00055815)
+    fuel.add_nuclide('U238', 0.022408)
+    fuel.add_nuclide('O16', 0.045829)
 
-        ### MATERIALS ###
-        fuel = openmc.Material(name='no-void fuel')
-        fuel.set_density('g/cc', 10.29769)
-        fuel.add_nuclide('U234', 0.93120485)
-        fuel.add_nuclide('U235', 0.00055815)
-        fuel.add_nuclide('U238', 0.022408)
-        fuel.add_nuclide('O16', 0.045829)
+    cladding = openmc.Material(name='clad')
+    cladding.set_density('g/cc', 6.55)
+    cladding.add_nuclide('Zr90', 0.021827)
+    cladding.add_nuclide('Zr91', 0.00476)
+    cladding.add_nuclide('Zr92', 0.0072758)
+    cladding.add_nuclide('Zr94', 0.0073734)
+    cladding.add_nuclide('Zr96', 0.0011879)
 
-        cladding = openmc.Material(name='clad')
-        cladding.set_density('g/cc', 6.55)
-        cladding.add_nuclide('Zr90', 0.021827)
-        cladding.add_nuclide('Zr91', 0.00476)
-        cladding.add_nuclide('Zr92', 0.0072758)
-        cladding.add_nuclide('Zr94', 0.0073734)
-        cladding.add_nuclide('Zr96', 0.0011879)
+    water = openmc.Material(name='water')
+    water.set_density('g/cc', 0.740582)
+    water.add_nuclide('H1', 0.049457)
+    water.add_nuclide('O16', 0.024672)
+    water.add_nuclide('B10', 8.0042e-06)
+    water.add_nuclide('B11', 3.2218e-05)
+    water.add_s_alpha_beta('c_H_in_H2O')
 
-        water = openmc.Material(name='water')
-        water.set_density('g/cc', 0.740582)
-        water.add_nuclide('H1', 0.049457)
-        water.add_nuclide('O16', 0.024672)
-        water.add_nuclide('B10', 8.0042e-06)
-        water.add_nuclide('B11', 3.2218e-05)
-        water.add_s_alpha_beta('c_H_in_H2O')
+    model = openmc.Model()
+    model.materials = openmc.Materials([fuel, cladding, water])
 
-        self._model.materials = openmc.Materials([fuel, cladding, water])
+    ### GEOMETRY ###
+    # create the DAGMC universe
+    pincell_univ = openmc.DAGMCUniverse(filename='dagmc.h5m', auto_geom_ids=True)
 
-        ### GEOMETRY ###
-        # create the DAGMC universe
-        pincell_univ = openmc.DAGMCUniverse(filename='dagmc.h5m', auto_geom_ids=True)
+    # creates another DAGMC universe, this time with within a bounded cell
+    bound_pincell_universe = openmc.DAGMCUniverse(filename='dagmc.h5m').bounded_universe()
+    # uses the bound_dag_cell as the root argument to test the type checks in openmc.Geometry
+    bound_pincell_geometry = openmc.Geometry(root=bound_pincell_universe)
+    # assigns the bound_dag_geometry to the model to test the type checks in model.Geometry setter
+    model.geometry = bound_pincell_geometry
 
-        # creates another DAGMC universe, this time with within a bounded cell
-        bound_pincell_universe = openmc.DAGMCUniverse(filename='dagmc.h5m').bounded_universe()
-        # uses the bound_dag_cell as the root argument to test the type checks in openmc.Geometry
-        bound_pincell_geometry = openmc.Geometry(root=bound_pincell_universe)
-        # assigns the bound_dag_geometry to the model to test the type checks in model.Geometry setter
-        self._model.geometry = bound_pincell_geometry
+    # create a 2 x 2 lattice using the DAGMC pincell
+    pitch = np.asarray((24.0, 24.0))
+    lattice = openmc.RectLattice()
+    lattice.pitch = pitch
+    lattice.universes = [[pincell_univ] * 2] * 2
+    lattice.lower_left = -pitch
 
-        # create a 2 x 2 lattice using the DAGMC pincell
-        pitch = np.asarray((24.0, 24.0))
-        lattice = openmc.RectLattice()
-        lattice.pitch = pitch
-        lattice.universes = [[pincell_univ] * 2] * 2
-        lattice.lower_left = -pitch
+    left = openmc.XPlane(x0=-pitch[0], name='left', boundary_type='reflective')
+    right = openmc.XPlane(x0=pitch[0], name='right', boundary_type='reflective')
+    front = openmc.YPlane(y0=-pitch[1], name='front', boundary_type='reflective')
+    back = openmc.YPlane(y0=pitch[1], name='back', boundary_type='reflective')
+    # clip the DAGMC geometry at +/- 10 cm w/ CSG planes
+    bottom = openmc.ZPlane(z0=-10.0, name='bottom', boundary_type='reflective')
+    top = openmc.ZPlane(z0=10.0, name='top', boundary_type='reflective')
 
-        left = openmc.XPlane(x0=-pitch[0], name='left', boundary_type='reflective')
-        right = openmc.XPlane(x0=pitch[0], name='right', boundary_type='reflective')
-        front = openmc.YPlane(y0=-pitch[1], name='front', boundary_type='reflective')
-        back = openmc.YPlane(y0=pitch[1], name='back', boundary_type='reflective')
-        # clip the DAGMC geometry at +/- 10 cm w/ CSG planes
-        bottom = openmc.ZPlane(z0=-10.0, name='bottom', boundary_type='reflective')
-        top = openmc.ZPlane(z0=10.0, name='top', boundary_type='reflective')
+    bounding_region = +left & -right & +front & -back & +bottom & -top
+    bounding_cell = openmc.Cell(fill=lattice, region=bounding_region)
 
-        bounding_region = +left & -right & +front & -back & +bottom & -top
-        bounding_cell = openmc.Cell(fill=lattice, region=bounding_region)
+    model.geometry = openmc.Geometry([bounding_cell])
 
-        self._model.geometry = openmc.Geometry([bounding_cell])
+    # add a cell instance tally
+    tally = openmc.Tally(name='cell instance tally')
+    # using scattering
+    cell_instance_filter = openmc.CellInstanceFilter(((4, 0), (4, 1), (4, 2), (4, 3), (4, 4)))
+    tally.filters = [cell_instance_filter]
+    tally.scores = ['scatter']
+    model.tallies = [tally]
 
-        # add a cell instance tally
-        tally = openmc.Tally(name='cell instance tally')
-        # using scattering
-        cell_instance_filter = openmc.CellInstanceFilter(((4, 0), (4, 1), (4, 2), (4, 3), (4, 4)))
-        tally.filters = [cell_instance_filter]
-        tally.scores = ['scatter']
-        self._model.tallies = [tally]
+    # settings
+    model.settings.particles = 100
+    model.settings.batches = 10
+    model.settings.inactive = 5
+    model.settings.output = {'summary' : False}
+    model.settings.source = openmc.IndependentSource(
+        space=openmc.stats.Box((-10., -10., -24.), (10., 10., 24.)),
+        constraints={'fissionable': True},
+    )
 
-        # settings
-        self._model.settings.particles = 100
-        self._model.settings.batches = 10
-        self._model.settings.inactive = 5
-        self._model.settings.output = {'summary' : False}
+    return model
 
-def test_univ():
-    harness = DAGMCUniverseTest('statepoint.10.h5', model=openmc.Model())
+
+def test_univ(pin_lattice_model):
+    harness = PyAPITestHarness('statepoint.10.h5', model=pin_lattice_model)
     harness.main()
diff --git a/tests/regression_tests/density/results_true.dat b/tests/regression_tests/density/results_true.dat
index c8e3b1ede..42dc0c19f 100644
--- a/tests/regression_tests/density/results_true.dat
+++ b/tests/regression_tests/density/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-1.110057E+00 1.303260E-02
+1.082191E+00 3.064029E-02
diff --git a/tests/regression_tests/deplete_no_transport/test_reference_coupled_days.h5 b/tests/regression_tests/deplete_no_transport/test_reference_coupled_days.h5
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diff --git a/tests/regression_tests/deplete_no_transport/test_reference_coupled_hours.h5 b/tests/regression_tests/deplete_no_transport/test_reference_coupled_hours.h5
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diff --git a/tests/regression_tests/deplete_no_transport/test_reference_coupled_minutes.h5 b/tests/regression_tests/deplete_no_transport/test_reference_coupled_minutes.h5
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diff --git a/tests/regression_tests/deplete_no_transport/test_reference_coupled_months.h5 b/tests/regression_tests/deplete_no_transport/test_reference_coupled_months.h5
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diff --git a/tests/regression_tests/deplete_no_transport/test_reference_fission_q.h5 b/tests/regression_tests/deplete_no_transport/test_reference_fission_q.h5
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diff --git a/tests/regression_tests/deplete_no_transport/test_reference_source_rate.h5 b/tests/regression_tests/deplete_no_transport/test_reference_source_rate.h5
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diff --git a/tests/regression_tests/deplete_with_transfer_rates/ref_depletion_with_ext_source.h5 b/tests/regression_tests/deplete_with_transfer_rates/ref_depletion_with_ext_source.h5
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diff --git a/tests/regression_tests/deplete_with_transfer_rates/ref_depletion_with_removal.h5 b/tests/regression_tests/deplete_with_transfer_rates/ref_depletion_with_removal.h5
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diff --git a/tests/regression_tests/deplete_with_transfer_rates/ref_depletion_with_transfer.h5 b/tests/regression_tests/deplete_with_transfer_rates/ref_depletion_with_transfer.h5
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delta 746
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diff --git a/tests/regression_tests/deplete_with_transfer_rates/ref_no_depletion_only_feed.h5 b/tests/regression_tests/deplete_with_transfer_rates/ref_no_depletion_only_feed.h5
index d080b447093018f62b3eced413db81fa606d3338..70a4a3d67a513287b449b1afb36556bf48bbff7b 100644
GIT binary patch
delta 30
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delta 30
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diff --git a/tests/regression_tests/deplete_with_transfer_rates/ref_no_depletion_only_removal.h5 b/tests/regression_tests/deplete_with_transfer_rates/ref_no_depletion_only_removal.h5
index 36f89e0090b147be206c995014745f3e9cb6c884..b41218a9b295a14f08c076e026adb858b4cb5b0b 100644
GIT binary patch
delta 30
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delta 30
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diff --git a/tests/regression_tests/deplete_with_transfer_rates/ref_no_depletion_with_ext_source.h5 b/tests/regression_tests/deplete_with_transfer_rates/ref_no_depletion_with_ext_source.h5
index f3b1b171ebcab9d99fb7b73f5b8273ac72187971..71bfdae11234c73d8c7e38e2f6883813cf73f85e 100644
GIT binary patch
delta 30
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delta 30
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diff --git a/tests/regression_tests/deplete_with_transfer_rates/ref_no_depletion_with_transfer.h5 b/tests/regression_tests/deplete_with_transfer_rates/ref_no_depletion_with_transfer.h5
index b0ba997407f2471adcb32897dd08378bfe312814..ccf92b39915aa425b0a6746905f23038985196fe 100644
GIT binary patch
delta 30
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delta 30
lcmcbxnCZe|rVVfUnIEhwnw;n=Kk<UlW`zlB7+HXPdjRRY4le)z

diff --git a/tests/regression_tests/deplete_with_transfer_rates/test.py b/tests/regression_tests/deplete_with_transfer_rates/test.py
index 4ad009d22..9784a07f6 100644
--- a/tests/regression_tests/deplete_with_transfer_rates/test.py
+++ b/tests/regression_tests/deplete_with_transfer_rates/test.py
@@ -40,10 +40,9 @@ def model():
     geometry = openmc.Geometry([cell_f, cell_w])
 
     settings = openmc.Settings()
-    settings.particles = 100
+    settings.particles = 150
     settings.inactive = 0
     settings.batches = 10
-    settings.seed = 1
 
     return openmc.Model(geometry, materials, settings)
 
diff --git a/tests/regression_tests/deplete_with_transport/last_step_reference_materials.xml b/tests/regression_tests/deplete_with_transport/last_step_reference_materials.xml
index 242e2e7db..2dca55992 100644
--- a/tests/regression_tests/deplete_with_transport/last_step_reference_materials.xml
+++ b/tests/regression_tests/deplete_with_transport/last_step_reference_materials.xml
@@ -4,993 +4,993 @@
     <density units="sum"/>
     <nuclide name="O16" ao="0.046295399999999994"/>
     <nuclide name="O17" ao="0.00011276839999999999"/>
-    <nuclide name="Cs135" ao="4.4180489845847837e-07"/>
-    <nuclide name="Gd156" ao="7.2549793284842195e-09"/>
-    <nuclide name="Gd157" ao="4.6150717465438587e-10"/>
-    <nuclide name="I135" ao="8.610759149890541e-09"/>
-    <nuclide name="U234" ao="1.00447595096247e-05"/>
-    <nuclide name="U235" ao="0.001021319968105753"/>
-    <nuclide name="U238" ao="0.022134492490415457"/>
-    <nuclide name="Xe135" ao="4.898883540853392e-09"/>
-    <nuclide name="Xe136" ao="1.5016036288896978e-06"/>
+    <nuclide name="Cs135" ao="4.2356868043329955e-07"/>
+    <nuclide name="Gd156" ao="6.865124946086107e-09"/>
+    <nuclide name="Gd157" ao="5.541422693730839e-10"/>
+    <nuclide name="I135" ao="8.398855591278969e-09"/>
+    <nuclide name="U234" ao="1.0044849802108137e-05"/>
+    <nuclide name="U235" ao="0.0010241568543408182"/>
+    <nuclide name="U238" ao="0.02213444658452529"/>
+    <nuclide name="Xe135" ao="5.102657017430096e-09"/>
+    <nuclide name="Xe136" ao="1.3680520508276297e-06"/>
   </material>
   <material id="2" depletable="true" volume="0.06674732823364922" temperature="293.6">
     <density units="sum"/>
     <nuclide name="O16" ao="0.046295399999999994"/>
     <nuclide name="O17" ao="0.00011276839999999999"/>
-    <nuclide name="Cs135" ao="4.7109992046231964e-07"/>
-    <nuclide name="Gd156" ao="7.042063874024541e-09"/>
-    <nuclide name="Gd157" ao="6.027071887061818e-10"/>
-    <nuclide name="I135" ao="7.95412956238769e-09"/>
-    <nuclide name="U234" ao="1.0044351820098593e-05"/>
-    <nuclide name="U235" ao="0.00102408632740032"/>
-    <nuclide name="U238" ao="0.02213423274784442"/>
-    <nuclide name="Xe135" ao="4.973037106302515e-09"/>
-    <nuclide name="Xe136" ao="1.3283930174680673e-06"/>
+    <nuclide name="Cs135" ao="4.2319130817070604e-07"/>
+    <nuclide name="Gd156" ao="7.3426396109268715e-09"/>
+    <nuclide name="Gd157" ao="4.620907180916395e-10"/>
+    <nuclide name="I135" ao="8.145047277711335e-09"/>
+    <nuclide name="U234" ao="1.0044620516536351e-05"/>
+    <nuclide name="U235" ao="0.0010214254323774594"/>
+    <nuclide name="U238" ao="0.02213434395408555"/>
+    <nuclide name="Xe135" ao="4.409408608714128e-09"/>
+    <nuclide name="Xe136" ao="1.517924707536826e-06"/>
   </material>
   <material id="3" depletable="true" volume="0.06674732823364922" temperature="293.6">
     <density units="sum"/>
     <nuclide name="O16" ao="0.046295399999999994"/>
     <nuclide name="O17" ao="0.00011276839999999999"/>
-    <nuclide name="Cs135" ao="4.5196882278137964e-07"/>
-    <nuclide name="Gd156" ao="7.390520641508283e-09"/>
-    <nuclide name="Gd157" ao="6.1139624340991e-10"/>
-    <nuclide name="I135" ao="7.339426249127244e-09"/>
-    <nuclide name="U234" ao="1.0044458911815349e-05"/>
-    <nuclide name="U235" ao="0.0010213846058415266"/>
-    <nuclide name="U238" ao="0.02213428321817386"/>
-    <nuclide name="Xe135" ao="5.052047240880656e-09"/>
-    <nuclide name="Xe136" ao="1.492502282115296e-06"/>
+    <nuclide name="Cs135" ao="4.4178313721689144e-07"/>
+    <nuclide name="Gd156" ao="8.116163111173852e-09"/>
+    <nuclide name="Gd157" ao="4.4088366729959583e-10"/>
+    <nuclide name="I135" ao="9.554417472347754e-09"/>
+    <nuclide name="U234" ao="1.0044450212208804e-05"/>
+    <nuclide name="U235" ao="0.0010161482310562272"/>
+    <nuclide name="U238" ao="0.022134327045989218"/>
+    <nuclide name="Xe135" ao="5.136728188559948e-09"/>
+    <nuclide name="Xe136" ao="1.7812317019106522e-06"/>
   </material>
   <material id="4" depletable="true" volume="0.06674732823364922" temperature="293.6">
     <density units="sum"/>
     <nuclide name="O16" ao="0.046295399999999994"/>
     <nuclide name="O17" ao="0.00011276839999999999"/>
-    <nuclide name="Cs135" ao="4.610385562797368e-07"/>
-    <nuclide name="Gd156" ao="7.2542350999039044e-09"/>
-    <nuclide name="Gd157" ao="4.694384504892065e-10"/>
-    <nuclide name="I135" ao="8.99963252548058e-09"/>
-    <nuclide name="U234" ao="1.0044557857503748e-05"/>
-    <nuclide name="U235" ao="0.0010213889405514816"/>
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diff --git a/tests/regression_tests/deplete_with_transport/test_reference.h5 b/tests/regression_tests/deplete_with_transport/test_reference.h5
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diff --git a/tests/regression_tests/diff_tally/results_true.dat b/tests/regression_tests/diff_tally/results_true.dat
index 14729c821..a88081b7c 100644
--- a/tests/regression_tests/diff_tally/results_true.dat
+++ b/tests/regression_tests/diff_tally/results_true.dat
@@ -1,27 +1,27 @@
 d_material,d_nuclide,d_variable,score,mean,std. dev.
-3,,density,flux,-8.7368155e+00,1.5577812e+00
-3,,density,flux,-1.4842625e+01,2.2947682e+00
-1,,density,flux,-2.0922686e-01,4.9935069e-02
-1,,density,flux,-3.4582490e-01,1.7454386e-01
-1,O16,nuclide_density,flux,1.1301782e+01,2.2440389e+01
-1,O16,nuclide_density,flux,3.2481563e+00,3.2342885e+01
-1,U235,nuclide_density,flux,-1.5048665e+03,5.9045681e+02
-1,U235,nuclide_density,flux,-1.6193231e+03,9.7230073e+02
-1,,temperature,flux,-1.0891931e-04,2.3076849e-04
-1,,temperature,flux,-1.3563853e-04,2.0952841e-04
-3,,density,total,-3.9155374e+00,5.4862771e-01
-3,,density,absorption,-4.9210534e-01,3.4700776e-02
-3,,density,scatter,-3.4234320e+00,5.1443821e-01
-3,,density,fission,-3.1088949e-01,8.0540906e-02
-3,,density,nu-fission,-7.6137447e-01,1.9548876e-01
-3,,density,total,-3.8615156e-01,1.0175701e-01
-3,,density,absorption,-3.4458071e-01,9.3381192e-02
-3,,density,scatter,-4.1570854e-02,8.6942039e-03
-3,,density,fission,-2.9864832e-01,8.4711885e-02
-3,,density,nu-fission,-7.2797006e-01,2.0640455e-01
-3,,density,total,1.0491251e+01,9.1787723e+00
-3,,density,absorption,2.9819000e-01,3.0887165e-01
-3,,density,scatter,1.0193061e+01,8.8715930e+00
+3,,density,flux,-9.2822822e+00,1.6880315e+00
+3,,density,flux,-2.0591270e+01,3.0043477e+00
+1,,density,flux,-2.9765141e-01,5.2949290e-02
+1,,density,flux,-4.0095723e-01,1.1716168e-01
+1,O16,nuclide_density,flux,-1.4245069e+01,6.3028710e+00
+1,O16,nuclide_density,flux,-2.5098326e+01,5.7525657e+00
+1,U235,nuclide_density,flux,-2.1513560e+03,6.7234014e+02
+1,U235,nuclide_density,flux,-2.4222736e+03,7.7715656e+02
+1,,temperature,flux,-1.1242141e-04,8.1692839e-05
+1,,temperature,flux,6.1357500e-06,7.4812624e-05
+3,,density,total,-4.2880614e+00,7.0021512e-01
+3,,density,absorption,-5.0324695e-01,4.9079615e-02
+3,,density,scatter,-3.7848144e+00,6.5868388e-01
+3,,density,fission,-2.7732455e-01,6.4647487e-02
+3,,density,nu-fission,-6.7990282e-01,1.5692707e-01
+3,,density,total,-3.8043572e-01,9.6222860e-02
+3,,density,absorption,-3.3518262e-01,8.6810436e-02
+3,,density,scatter,-4.5253106e-02,9.5205809e-03
+3,,density,fission,-2.6400028e-01,6.8175997e-02
+3,,density,nu-fission,-6.4353897e-01,1.6613026e-01
+3,,density,total,-3.2070285e-01,2.8328990e+00
+3,,density,absorption,2.5921007e-02,2.2141808e-02
+3,,density,scatter,-3.4662385e-01,2.8171749e+00
 3,,density,fission,0.0000000e+00,0.0000000e+00
 3,,density,nu-fission,0.0000000e+00,0.0000000e+00
 3,,density,total,0.0000000e+00,0.0000000e+00
@@ -29,19 +29,19 @@ d_material,d_nuclide,d_variable,score,mean,std. dev.
 3,,density,scatter,0.0000000e+00,0.0000000e+00
 3,,density,fission,0.0000000e+00,0.0000000e+00
 3,,density,nu-fission,0.0000000e+00,0.0000000e+00
-1,,density,total,4.7128871e-01,5.7197095e-02
-1,,density,absorption,2.1981833e-02,1.7427232e-02
-1,,density,scatter,4.4930687e-01,4.0030120e-02
-1,,density,fission,6.0712328e-03,1.3719512e-02
-1,,density,nu-fission,1.5474650e-02,3.3437103e-02
-1,,density,total,1.2203418e-02,1.5798741e-02
-1,,density,absorption,7.0228085e-03,1.5294984e-02
-1,,density,scatter,5.1806097e-03,5.0807003e-04
-1,,density,fission,4.1074923e-03,1.3759608e-02
-1,,density,nu-fission,1.0046778e-02,3.3529881e-02
-1,,density,total,-5.2100220e-01,2.7618985e-01
-1,,density,absorption,-1.1039048e-02,6.2043549e-03
-1,,density,scatter,-5.0996315e-01,2.7027892e-01
+1,,density,total,4.0321800e-01,3.5365140e-02
+1,,density,absorption,4.8426976e-03,8.3784362e-03
+1,,density,scatter,3.9837530e-01,2.9076664e-02
+1,,density,fission,-5.4793062e-03,7.1720201e-03
+1,,density,nu-fission,-1.2481616e-02,1.7542625e-02
+1,,density,total,-3.6063021e-03,7.1950060e-03
+1,,density,absorption,-8.2666439e-03,6.9274342e-03
+1,,density,scatter,4.6603417e-03,4.1803496e-04
+1,,density,fission,-7.6315741e-03,7.1774359e-03
+1,,density,nu-fission,-1.8551295e-02,1.7493106e-02
+1,,density,total,-6.2852725e-01,1.9776006e-01
+1,,density,absorption,-1.4850233e-02,4.3086611e-03
+1,,density,scatter,-6.1367701e-01,1.9363188e-01
 1,,density,fission,0.0000000e+00,0.0000000e+00
 1,,density,nu-fission,0.0000000e+00,0.0000000e+00
 1,,density,total,0.0000000e+00,0.0000000e+00
@@ -49,19 +49,19 @@ d_material,d_nuclide,d_variable,score,mean,std. dev.
 1,,density,scatter,0.0000000e+00,0.0000000e+00
 1,,density,fission,0.0000000e+00,0.0000000e+00
 1,,density,nu-fission,0.0000000e+00,0.0000000e+00
-1,O16,nuclide_density,total,5.5744608e+01,1.3811361e+01
-1,O16,nuclide_density,absorption,2.1284059e+00,3.3353171e+00
-1,O16,nuclide_density,scatter,5.3616202e+01,1.0494347e+01
-1,O16,nuclide_density,fission,6.6058671e-01,1.9263932e+00
-1,O16,nuclide_density,nu-fission,1.5973305e+00,4.6977280e+00
-1,O16,nuclide_density,total,9.8433784e-01,2.4053581e+00
-1,O16,nuclide_density,absorption,9.1167507e-01,2.2565683e+00
-1,O16,nuclide_density,scatter,7.2662768e-02,1.5198625e-01
-1,O16,nuclide_density,fission,6.8845700e-01,1.9451444e+00
-1,O16,nuclide_density,nu-fission,1.6768628e+00,4.7395897e+00
-1,O16,nuclide_density,total,8.1604245e+00,3.7248338e+01
-1,O16,nuclide_density,absorption,2.4903834e-01,4.5609671e-01
-1,O16,nuclide_density,scatter,7.9113862e+00,3.6811434e+01
+1,O16,nuclide_density,total,4.2608989e+01,2.6322158e+00
+1,O16,nuclide_density,absorption,-5.9877963e-01,4.2139216e-01
+1,O16,nuclide_density,scatter,4.3207769e+01,2.5312922e+00
+1,O16,nuclide_density,fission,-9.2838585e-01,4.3505041e-01
+1,O16,nuclide_density,nu-fission,-2.2834786e+00,1.0634300e+00
+1,O16,nuclide_density,total,-1.1195412e+00,3.3033730e-01
+1,O16,nuclide_density,absorption,-1.0650267e+00,3.2780477e-01
+1,O16,nuclide_density,scatter,-5.4514540e-02,2.4911965e-02
+1,O16,nuclide_density,fission,-8.6787386e-01,4.4270048e-01
+1,O16,nuclide_density,nu-fission,-2.1159252e+00,1.0787495e+00
+1,O16,nuclide_density,total,-3.1004750e+01,8.0776339e+00
+1,O16,nuclide_density,absorption,-5.0354237e-01,2.6144390e-01
+1,O16,nuclide_density,scatter,-3.0501208e+01,7.8176703e+00
 1,O16,nuclide_density,fission,0.0000000e+00,0.0000000e+00
 1,O16,nuclide_density,nu-fission,0.0000000e+00,0.0000000e+00
 1,O16,nuclide_density,total,0.0000000e+00,0.0000000e+00
@@ -69,19 +69,19 @@ d_material,d_nuclide,d_variable,score,mean,std. dev.
 1,O16,nuclide_density,scatter,0.0000000e+00,0.0000000e+00
 1,O16,nuclide_density,fission,0.0000000e+00,0.0000000e+00
 1,O16,nuclide_density,nu-fission,0.0000000e+00,0.0000000e+00
-1,U235,nuclide_density,total,-2.8654443e+02,3.3721470e+02
-1,U235,nuclide_density,absorption,2.0329180e+02,1.0522263e+02
-1,U235,nuclide_density,scatter,-4.8983623e+02,2.3237977e+02
-1,U235,nuclide_density,fission,2.6089045e+02,7.2578344e+01
-1,U235,nuclide_density,nu-fission,6.3692044e+02,1.7710877e+02
-1,U235,nuclide_density,total,4.5611633e+02,9.1682367e+01
-1,U235,nuclide_density,absorption,3.3831545e+02,8.5035501e+01
-1,U235,nuclide_density,scatter,1.1780088e+02,7.4128809e+00
-1,U235,nuclide_density,fission,2.6094461e+02,7.2102445e+01
-1,U235,nuclide_density,nu-fission,6.3705705e+02,1.7578950e+02
-1,U235,nuclide_density,total,-4.1342174e+03,1.4666097e+03
-1,U235,nuclide_density,absorption,-1.1329170e+02,3.5066579e+01
-1,U235,nuclide_density,scatter,-4.0209257e+03,1.4320401e+03
+1,U235,nuclide_density,total,-5.3578869e+02,3.4044374e+02
+1,U235,nuclide_density,absorption,2.0769087e+02,1.0873543e+02
+1,U235,nuclide_density,scatter,-7.4347956e+02,2.5966153e+02
+1,U235,nuclide_density,fission,2.8982867e+02,8.5348425e+01
+1,U235,nuclide_density,nu-fission,7.0772332e+02,2.0847449e+02
+1,U235,nuclide_density,total,4.8356107e+02,1.0276621e+02
+1,U235,nuclide_density,absorption,3.6683548e+02,9.6924085e+01
+1,U235,nuclide_density,scatter,1.1672558e+02,6.1773010e+00
+1,U235,nuclide_density,fission,2.8941699e+02,8.4475937e+01
+1,U235,nuclide_density,nu-fission,7.0639136e+02,2.0594285e+02
+1,U235,nuclide_density,total,-4.6777522e+03,1.5037171e+03
+1,U235,nuclide_density,absorption,-1.1585081e+02,3.8299177e+01
+1,U235,nuclide_density,scatter,-4.5619014e+03,1.4660078e+03
 1,U235,nuclide_density,fission,0.0000000e+00,0.0000000e+00
 1,U235,nuclide_density,nu-fission,0.0000000e+00,0.0000000e+00
 1,U235,nuclide_density,total,0.0000000e+00,0.0000000e+00
@@ -89,19 +89,19 @@ d_material,d_nuclide,d_variable,score,mean,std. dev.
 1,U235,nuclide_density,scatter,0.0000000e+00,0.0000000e+00
 1,U235,nuclide_density,fission,0.0000000e+00,0.0000000e+00
 1,U235,nuclide_density,nu-fission,0.0000000e+00,0.0000000e+00
-1,,temperature,total,5.3733744e-05,1.1785516e-04
-1,,temperature,absorption,-1.3987780e-05,1.9819801e-05
-1,,temperature,scatter,6.7721524e-05,9.9934995e-05
-1,,temperature,fission,-1.4882696e-05,1.6930666e-05
-1,,temperature,nu-fission,-3.6272065e-05,4.1250892e-05
-1,,temperature,total,-1.8119796e-05,2.2651409e-05
-1,,temperature,absorption,-1.7632076e-05,2.1825006e-05
-1,,temperature,scatter,-4.8771972e-07,1.4270133e-06
-1,,temperature,fission,-1.4890811e-05,1.6935899e-05
-1,,temperature,nu-fission,-3.6292215e-05,4.1263951e-05
-1,,temperature,total,-2.0776498e-04,2.9286552e-04
-1,,temperature,absorption,-3.9068381e-06,3.4912438e-06
-1,,temperature,scatter,-2.0385814e-04,2.8941307e-04
+1,,temperature,total,8.2134941e-05,1.3941434e-05
+1,,temperature,absorption,4.1502002e-05,3.5967068e-05
+1,,temperature,scatter,4.0632939e-05,2.6595574e-05
+1,,temperature,fission,3.1768469e-06,2.1582455e-05
+1,,temperature,nu-fission,7.7368345e-06,5.2593375e-05
+1,,temperature,total,1.0834099e-06,2.6707333e-05
+1,,temperature,absorption,1.6240165e-06,2.6844372e-05
+1,,temperature,scatter,-5.4060665e-07,2.5905412e-07
+1,,temperature,fission,3.1674458e-06,2.1588836e-05
+1,,temperature,nu-fission,7.7134913e-06,5.2609321e-05
+1,,temperature,total,9.5175179e-05,1.0549922e-04
+1,,temperature,absorption,4.3553888e-06,2.9261613e-06
+1,,temperature,scatter,9.0819790e-05,1.0362538e-04
 1,,temperature,fission,0.0000000e+00,0.0000000e+00
 1,,temperature,nu-fission,0.0000000e+00,0.0000000e+00
 1,,temperature,total,0.0000000e+00,0.0000000e+00
@@ -109,68 +109,68 @@ d_material,d_nuclide,d_variable,score,mean,std. dev.
 1,,temperature,scatter,0.0000000e+00,0.0000000e+00
 1,,temperature,fission,0.0000000e+00,0.0000000e+00
 1,,temperature,nu-fission,0.0000000e+00,0.0000000e+00
-3,,density,absorption,-4.5579543e-01,5.5532252e-02
-3,,density,absorption,-1.3526251e-02,1.3917291e-01
-1,,density,absorption,3.8695654e-02,1.5823093e-02
-1,,density,absorption,-1.8171150e-02,1.2999773e-03
-1,O16,nuclide_density,absorption,2.0992238e+00,2.7230754e+00
-1,O16,nuclide_density,absorption,-6.8956953e-01,3.3064989e-01
-1,U235,nuclide_density,absorption,2.5000417e+02,7.3334295e+01
-1,U235,nuclide_density,absorption,-1.0832917e+02,1.1517513e+01
-1,,temperature,absorption,1.1819459e-05,4.2090670e-05
-1,,temperature,absorption,-7.2302974e-06,1.5200299e-05
+3,,density,absorption,-5.4897740e-01,8.6529144e-02
+3,,density,absorption,1.3410763e-01,5.6235628e-02
+1,,density,absorption,2.9551566e-02,1.5215007e-02
+1,,density,absorption,-8.6382033e-03,5.5181454e-03
+1,O16,nuclide_density,absorption,2.7111116e-01,9.6922067e-01
+1,O16,nuclide_density,absorption,-7.3785997e-01,7.7252792e-01
+1,U235,nuclide_density,absorption,2.7361252e+02,1.6168134e+02
+1,U235,nuclide_density,absorption,-9.6885408e+01,1.9390948e+01
+1,,temperature,absorption,1.0054736e-05,4.2876538e-05
+1,,temperature,absorption,-1.8280609e-06,1.0133065e-05
 3,,density,nu-fission,0.0000000e+00,0.0000000e+00
-3,,density,scatter,-7.6858714e-01,3.2467801e-01
+3,,density,scatter,-5.4273849e-01,1.8081153e-01
 3,,density,nu-fission,0.0000000e+00,0.0000000e+00
-3,,density,scatter,3.2513857e-04,3.2513857e-04
-3,,density,nu-fission,-6.4963717e-01,1.8008086e-01
-3,,density,scatter,-2.6911548e+00,2.6336008e-01
-3,,density,nu-fission,-6.3014524e-01,1.8056453e-01
-3,,density,scatter,-3.4247012e-02,2.2649385e-02
+3,,density,scatter,1.3451827e-02,7.2870304e-03
+3,,density,nu-fission,-8.4200508e-01,3.4267126e-01
+3,,density,scatter,-3.1963455e+00,5.0369564e-01
+3,,density,nu-fission,-8.2934702e-01,3.4526131e-01
+3,,density,scatter,-7.0221960e-02,6.8067882e-02
 3,,density,nu-fission,0.0000000e+00,0.0000000e+00
-3,,density,scatter,1.0254549e+01,1.1054242e+01
+3,,density,scatter,1.1368387e+00,1.2091778e+00
 3,,density,nu-fission,0.0000000e+00,0.0000000e+00
 3,,density,scatter,0.0000000e+00,0.0000000e+00
 3,,density,nu-fission,0.0000000e+00,0.0000000e+00
-3,,density,scatter,2.5022850e-01,2.1207285e+00
+3,,density,scatter,-1.5916491e+00,2.3551913e+00
 3,,density,nu-fission,0.0000000e+00,0.0000000e+00
 3,,density,scatter,0.0000000e+00,0.0000000e+00
 1,,density,nu-fission,0.0000000e+00,0.0000000e+00
-1,,density,scatter,8.1153611e-03,3.1226564e-02
+1,,density,scatter,-1.8655633e-03,2.4061808e-02
 1,,density,nu-fission,0.0000000e+00,0.0000000e+00
-1,,density,scatter,2.3728497e-04,9.7166041e-04
-1,,density,nu-fission,2.6248459e-02,3.9328080e-02
-1,,density,scatter,4.2447769e-01,1.2580873e-02
-1,,density,nu-fission,1.9600074e-02,3.8118776e-02
-1,,density,scatter,8.0978391e-03,2.6585488e-03
+1,,density,scatter,-1.7672807e-04,7.4702879e-04
+1,,density,nu-fission,4.4506944e-03,3.1478180e-02
+1,,density,scatter,3.7553200e-01,2.3420342e-02
+1,,density,nu-fission,-1.3567324e-03,3.0610901e-02
+1,,density,scatter,6.9330560e-03,4.6649873e-03
 1,,density,nu-fission,0.0000000e+00,0.0000000e+00
-1,,density,scatter,-3.8358302e-01,2.1525401e-01
+1,,density,scatter,-5.1560927e-01,1.4846253e-01
 1,,density,nu-fission,0.0000000e+00,0.0000000e+00
 1,,density,scatter,0.0000000e+00,0.0000000e+00
 1,,density,nu-fission,0.0000000e+00,0.0000000e+00
-1,,density,scatter,-1.1924803e-01,9.1254221e-02
+1,,density,scatter,-1.0427977e-01,6.6396271e-02
 1,,density,nu-fission,0.0000000e+00,0.0000000e+00
 1,,density,scatter,0.0000000e+00,0.0000000e+00
 1,O16,nuclide_density,nu-fission,0.0000000e+00,0.0000000e+00
-1,O16,nuclide_density,scatter,-1.6577061e-01,1.0793192e-01
-1,O16,nuclide_density,nu-fission,2.4995074e+00,5.7946039e+00
-1,O16,nuclide_density,scatter,5.5800956e-01,5.7675606e-01
+1,O16,nuclide_density,scatter,4.6587151e-02,9.0232672e-02
+1,O16,nuclide_density,nu-fission,-2.1162226e+00,2.4773842e+00
+1,O16,nuclide_density,scatter,6.6533325e-01,2.4693113e-01
 1,O16,nuclide_density,nu-fission,0.0000000e+00,0.0000000e+00
 1,O16,nuclide_density,scatter,0.0000000e+00,0.0000000e+00
 1,O16,nuclide_density,nu-fission,0.0000000e+00,0.0000000e+00
 1,O16,nuclide_density,scatter,0.0000000e+00,0.0000000e+00
 1,U235,nuclide_density,nu-fission,0.0000000e+00,0.0000000e+00
-1,U235,nuclide_density,scatter,5.8641633e+00,2.9488422e+00
-1,U235,nuclide_density,nu-fission,6.7444160e+02,1.1308014e+02
-1,U235,nuclide_density,scatter,1.1592472e+02,2.8886339e+01
+1,U235,nuclide_density,scatter,2.8979849e+01,2.0235325e+01
+1,U235,nuclide_density,nu-fission,8.1210341e+02,2.9252040e+02
+1,U235,nuclide_density,scatter,1.0307302e+02,4.4919960e+01
 1,U235,nuclide_density,nu-fission,0.0000000e+00,0.0000000e+00
 1,U235,nuclide_density,scatter,0.0000000e+00,0.0000000e+00
 1,U235,nuclide_density,nu-fission,0.0000000e+00,0.0000000e+00
 1,U235,nuclide_density,scatter,0.0000000e+00,0.0000000e+00
 1,,temperature,nu-fission,0.0000000e+00,0.0000000e+00
-1,,temperature,scatter,-7.7511866e-07,6.4761261e-07
-1,,temperature,nu-fission,-9.5466386e-05,3.1033330e-05
-1,,temperature,scatter,-2.7127084e-06,2.0699253e-07
+1,,temperature,scatter,-3.3782154e-06,3.8240314e-06
+1,,temperature,nu-fission,-6.8920903e-05,4.4384761e-05
+1,,temperature,scatter,1.6325729e-07,2.3270228e-06
 1,,temperature,nu-fission,0.0000000e+00,0.0000000e+00
 1,,temperature,scatter,0.0000000e+00,0.0000000e+00
 1,,temperature,nu-fission,0.0000000e+00,0.0000000e+00
diff --git a/tests/regression_tests/distribmat/results_true.dat b/tests/regression_tests/distribmat/results_true.dat
index af7b27fe7..166fd4662 100644
--- a/tests/regression_tests/distribmat/results_true.dat
+++ b/tests/regression_tests/distribmat/results_true.dat
@@ -1,5 +1,5 @@
 k-combined:
-1.257344E+00 6.246360E-04
+1.246391E+00 1.414798E-02
 Cell
 	ID             =	11
 	Name           =	
diff --git a/tests/regression_tests/eigenvalue_genperbatch/results_true.dat b/tests/regression_tests/eigenvalue_genperbatch/results_true.dat
index 3f7ea801a..d171c5e87 100644
--- a/tests/regression_tests/eigenvalue_genperbatch/results_true.dat
+++ b/tests/regression_tests/eigenvalue_genperbatch/results_true.dat
@@ -1,5 +1,5 @@
 k-combined:
-3.037481E-01 1.247474E-04
+2.975937E-01 1.293390E-03
 tally 1:
-3.211129E+01
-2.578396E+02
+3.173222E+01
+2.517683E+02
diff --git a/tests/regression_tests/eigenvalue_no_inactive/results_true.dat b/tests/regression_tests/eigenvalue_no_inactive/results_true.dat
index 2b1021608..3ba7485a9 100644
--- a/tests/regression_tests/eigenvalue_no_inactive/results_true.dat
+++ b/tests/regression_tests/eigenvalue_no_inactive/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-2.998284E-01 7.587782E-03
+3.072780E-01 6.882841E-03
diff --git a/tests/regression_tests/energy_grid/results_true.dat b/tests/regression_tests/energy_grid/results_true.dat
index deab1e28b..3a042d882 100644
--- a/tests/regression_tests/energy_grid/results_true.dat
+++ b/tests/regression_tests/energy_grid/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-3.152586E-01 1.458068E-03
+3.218009E-01 4.687417E-03
diff --git a/tests/regression_tests/energy_laws/results_true.dat b/tests/regression_tests/energy_laws/results_true.dat
index 534a299b5..780278683 100644
--- a/tests/regression_tests/energy_laws/results_true.dat
+++ b/tests/regression_tests/energy_laws/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-2.444000E+00 1.044626E-02
+2.458770E+00 9.422203E-03
diff --git a/tests/regression_tests/entropy/results_true.dat b/tests/regression_tests/entropy/results_true.dat
index 1c8b2908b..92d7f091d 100644
--- a/tests/regression_tests/entropy/results_true.dat
+++ b/tests/regression_tests/entropy/results_true.dat
@@ -1,13 +1,13 @@
 k-combined:
-3.070134E-01 3.900396E-03
+2.940336E-01 7.338463E-04
 entropy:
 7.688862E+00
-8.237960E+00
-8.314772E+00
-8.285254E+00
-8.271486E+00
-8.291355E+00
-8.253349E+00
-8.336726E+00
-8.284741E+00
-8.328102E+00
+8.226316E+00
+8.308355E+00
+8.243413E+00
+8.369345E+00
+8.304865E+00
+8.230689E+00
+8.338304E+00
+8.270630E+00
+8.386598E+00
diff --git a/tests/regression_tests/filter_cellfrom/results_true.dat b/tests/regression_tests/filter_cellfrom/results_true.dat
index 5dd43e1f3..408a4965b 100644
--- a/tests/regression_tests/filter_cellfrom/results_true.dat
+++ b/tests/regression_tests/filter_cellfrom/results_true.dat
@@ -1,53 +1,53 @@
 k-combined:
-9.640806E-02 2.655206E-03
+9.035025E-02 2.654309E-03
 tally 1:
-6.025999E+00
-3.635317E+00
+5.994069E+00
+3.594398E+00
 tally 2:
-4.523606E-04
-2.051522E-08
+4.559707E-04
+2.080739E-08
 tally 3:
-6.026452E+00
-3.635862E+00
+5.994525E+00
+3.594945E+00
 tally 4:
 0.000000E+00
 0.000000E+00
 tally 5:
-1.530903E+00
-2.357048E-01
+1.473892E+00
+2.187509E-01
 tally 6:
-4.992646E-05
-2.600391E-10
+5.223875E-05
+2.992861E-10
 tally 7:
-1.530953E+00
-2.357201E-01
+1.473945E+00
+2.187663E-01
 tally 8:
-1.889115E+01
-3.574727E+01
+1.885798E+01
+3.558423E+01
 tally 9:
-7.556902E+00
-5.717680E+00
+7.467961E+00
+5.580255E+00
 tally 10:
-5.022871E-04
-2.531352E-08
+5.082094E-04
+2.584432E-08
 tally 11:
-7.557405E+00
-5.718440E+00
+7.468470E+00
+5.581014E+00
 tally 12:
-1.889115E+01
-3.574727E+01
+1.885798E+01
+3.558423E+01
 tally 13:
 0.000000E+00
 0.000000E+00
 tally 14:
-2.663407E-04
-7.161725E-09
+2.739543E-04
+7.600983E-09
 tally 15:
-2.663407E-04
-7.161725E-09
+2.739543E-04
+7.600983E-09
 tally 16:
-8.025710E+01
-6.459305E+02
+7.881296E+01
+6.221087E+02
 tally 17:
-1.067059E+02
-1.140939E+03
+1.051397E+02
+1.106292E+03
diff --git a/tests/regression_tests/filter_cellinstance/results_true.dat b/tests/regression_tests/filter_cellinstance/results_true.dat
index 079b7d3d2..152986595 100644
--- a/tests/regression_tests/filter_cellinstance/results_true.dat
+++ b/tests/regression_tests/filter_cellinstance/results_true.dat
@@ -1,84 +1,84 @@
 k-combined:
-1.050139E+00 1.886614E-02
+1.097679E+00 8.074294E-03
 tally 1:
-9.724996E-02
-2.784804E-03
-1.146976E-01
-3.173782E-03
-1.698297E-01
-6.569993E-03
-1.158802E-01
-2.959280E-03
-2.533354E-01
-1.539905E-02
-1.908717E-01
-8.360058E-03
-1.738899E-01
-6.713494E-03
-3.172247E-01
-2.124184E-02
-1.363012E-01
-4.653519E-03
-1.698720E-01
-6.753819E-03
-9.934671E-02
-2.371660E-03
-6.038075E-02
-1.204656E-03
-1.038793E+01
-2.590382E+01
-2.841397E+01
-1.865709E+02
-2.786916E+01
-1.923869E+02
-1.085149E+01
-2.907194E+01
-1.038793E+01
-2.590382E+01
-2.841397E+01
-1.865709E+02
-2.786916E+01
-1.923869E+02
-1.085149E+01
-2.907194E+01
+7.125168E-02
+1.412152E-03
+1.254059E-01
+4.145686E-03
+1.609454E-01
+6.174116E-03
+1.444278E-01
+4.523981E-03
+3.363588E-01
+2.342988E-02
+1.751677E-01
+7.108034E-03
+1.384074E-01
+3.949804E-03
+2.856450E-01
+1.824185E-02
+9.680810E-02
+2.256338E-03
+1.691663E-01
+6.456530E-03
+1.160968E-01
+3.233815E-03
+7.334131E-02
+1.456688E-03
+1.168548E+01
+3.210924E+01
+2.860162E+01
+1.876786E+02
+2.857267E+01
+1.996553E+02
+1.050245E+01
+2.569953E+01
+1.168548E+01
+3.210924E+01
+2.860162E+01
+1.876786E+02
+2.857267E+01
+1.996553E+02
+1.050245E+01
+2.569953E+01
 tally 2:
-1.085149E+01
-2.907194E+01
-2.786916E+01
-1.923869E+02
-2.841397E+01
-1.865709E+02
-1.038793E+01
-2.590382E+01
-1.085149E+01
-2.907194E+01
-2.786916E+01
-1.923869E+02
-2.841397E+01
-1.865709E+02
-1.038793E+01
-2.590382E+01
-6.038075E-02
-1.204656E-03
-9.934671E-02
-2.371660E-03
-1.698720E-01
-6.753819E-03
-1.363012E-01
-4.653519E-03
-3.172247E-01
-2.124184E-02
-1.738899E-01
-6.713494E-03
-1.908717E-01
-8.360058E-03
-2.533354E-01
-1.539905E-02
-1.158802E-01
-2.959280E-03
-1.698297E-01
-6.569993E-03
-1.146976E-01
-3.173782E-03
-9.724996E-02
-2.784804E-03
+1.050245E+01
+2.569953E+01
+2.857267E+01
+1.996553E+02
+2.860162E+01
+1.876786E+02
+1.168548E+01
+3.210924E+01
+1.050245E+01
+2.569953E+01
+2.857267E+01
+1.996553E+02
+2.860162E+01
+1.876786E+02
+1.168548E+01
+3.210924E+01
+7.334131E-02
+1.456688E-03
+1.160968E-01
+3.233815E-03
+1.691663E-01
+6.456530E-03
+9.680810E-02
+2.256338E-03
+2.856450E-01
+1.824185E-02
+1.384074E-01
+3.949804E-03
+1.751677E-01
+7.108034E-03
+3.363588E-01
+2.342988E-02
+1.444278E-01
+4.523981E-03
+1.609454E-01
+6.174116E-03
+1.254059E-01
+4.145686E-03
+7.125168E-02
+1.412152E-03
diff --git a/tests/regression_tests/filter_distribcell/case-3/results_true.dat b/tests/regression_tests/filter_distribcell/case-3/results_true.dat
index f30e858f0..77f2a2a87 100644
--- a/tests/regression_tests/filter_distribcell/case-3/results_true.dat
+++ b/tests/regression_tests/filter_distribcell/case-3/results_true.dat
@@ -1 +1 @@
-1d09084dc41305687d53d1e800fb3d0ac3949aa4e1cb0bfbb327d0ec1ad4b74fc97ee73da84b910529296b858aab9b8a5d0924d17ca2cc373625e1a9e197aa94
\ No newline at end of file
+93c1efbc586874a715982d26609e9e79232de25a0b73093a00938d658440644f0ee6bb823902a6ef1b7a2a855e67b2da0a0e767ef550f9ffa4dea723e35af6f5
\ No newline at end of file
diff --git a/tests/regression_tests/filter_distribcell/case-4/results_true.dat b/tests/regression_tests/filter_distribcell/case-4/results_true.dat
index 228456c58..ed84838ee 100644
--- a/tests/regression_tests/filter_distribcell/case-4/results_true.dat
+++ b/tests/regression_tests/filter_distribcell/case-4/results_true.dat
@@ -1,12 +1,12 @@
 k-combined:
-1.068596E-01          INF
+1.069692E-01          INF
 tally 1:
 1.812612E-02
 3.285561E-04
 2.870442E-02
 8.239436E-04
-1.807689E-02
-3.267740E-04
+1.824058E-02
+3.327188E-04
 2.660796E-02
 7.079835E-04
 1.961572E-02
diff --git a/tests/regression_tests/filter_energyfun/results_true.dat b/tests/regression_tests/filter_energyfun/results_true.dat
index 0aadac82e..d64de58a6 100644
--- a/tests/regression_tests/filter_energyfun/results_true.dat
+++ b/tests/regression_tests/filter_energyfun/results_true.dat
@@ -1,10 +1,10 @@
    energyfunction nuclide                    score     mean  std. dev.
-0  448ee8dfd19c4f   Am241  ((n,gamma) / (n,gamma)) 1.74e-01   6.83e-03
+0  448ee8dfd19c4f   Am241  ((n,gamma) / (n,gamma)) 1.74e-01   5.44e-03
    energyfunction nuclide      score     mean  std. dev.
-0  37e006ae6b2e74   Am241  (n,gamma) 8.16e-02   2.24e-03
+0  37e006ae6b2e74   Am241  (n,gamma) 8.35e-02   1.83e-03
    energyfunction nuclide      score     mean  std. dev.
-0  b4e2ac84068d2d   Am241  (n,gamma) 8.19e-02   2.25e-03
+0  b4e2ac84068d2d   Am241  (n,gamma) 8.39e-02   1.84e-03
    energyfunction nuclide      score     mean  std. dev.
-0  dacf88242512ea   Am241  (n,gamma) 7.95e-02   2.19e-03
+0  dacf88242512ea   Am241  (n,gamma) 8.14e-02   1.78e-03
    energyfunction nuclide      score     mean  std. dev.
-0  fe168c70d9e078   Am241  (n,gamma) 1.06e-01   2.96e-03
+0  fe168c70d9e078   Am241  (n,gamma) 1.09e-01   2.41e-03
diff --git a/tests/regression_tests/filter_mesh/results_true.dat b/tests/regression_tests/filter_mesh/results_true.dat
index a91eadb35..34e99c17e 100644
--- a/tests/regression_tests/filter_mesh/results_true.dat
+++ b/tests/regression_tests/filter_mesh/results_true.dat
@@ -1 +1 @@
-bd55ee25094f9ad04fda4439f58ef0fed718632c88b9fde411a484dc624dedcd45dee643e14d8b107d8b92757737b8bb3d9a667de5482457d6d8346afffdf657
\ No newline at end of file
+e07ed2bc8893c69721abf61b123336f1f6128a3bee6ec63b84d1f549f31707a74a6ce885091ccc0eac6b7f16f7cab39ede4784584c08825829e108de878ea5fb
\ No newline at end of file
diff --git a/tests/regression_tests/filter_musurface/results_true.dat b/tests/regression_tests/filter_musurface/results_true.dat
index 39c9f2b92..4cdd7dbf5 100644
--- a/tests/regression_tests/filter_musurface/results_true.dat
+++ b/tests/regression_tests/filter_musurface/results_true.dat
@@ -1,11 +1,11 @@
 k-combined:
-1.157005E-01 7.587090E-03
+1.202075E-01 1.113188E-02
 tally 1:
 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-8.770000E-01
-1.608710E-01
-3.909000E+00
-3.063035E+00
+9.230000E-01
+1.791510E-01
+3.869000E+00
+3.002523E+00
diff --git a/tests/regression_tests/filter_translations/results_true.dat b/tests/regression_tests/filter_translations/results_true.dat
index d257d71a6..a63586d2d 100644
--- a/tests/regression_tests/filter_translations/results_true.dat
+++ b/tests/regression_tests/filter_translations/results_true.dat
@@ -1,342 +1,342 @@
 k-combined:
-2.298294E-01 3.256961E-01
+7.729082E-01 3.775399E-02
 tally 1:
-4.880089E-02
-4.894233E-04
-8.221192E-02
-1.373712E-03
-5.205261E-02
-5.584673E-04
-1.272758E-01
-3.371623E-03
-3.599375E-01
-2.655645E-02
-1.377572E-01
-3.835778E-03
-1.646205E-01
-5.916595E-03
-3.806765E-01
-2.947576E-02
-1.470573E-01
-4.360385E-03
-5.568294E-02
-6.368003E-04
-6.775790E-02
-9.447074E-04
-5.580909E-02
-6.303584E-04
-6.674847E-02
-9.080853E-04
-9.747628E-02
-1.934325E-03
-6.824062E-02
-9.908844E-04
-1.891692E-01
-7.211874E-03
-5.976566E-01
-7.206211E-02
-1.805640E-01
-6.599680E-03
-2.114692E-01
-9.202185E-03
-6.514433E-01
-8.523087E-02
-1.905740E-01
-7.287607E-03
-7.633486E-02
-1.216488E-03
-1.117747E-01
-2.538705E-03
-7.438042E-02
-1.127109E-03
-7.356007E-02
-1.090617E-03
-1.161258E-01
-2.734941E-03
-6.745417E-02
-9.371031E-04
-2.153323E-01
-9.293477E-03
-9.414362E-01
-2.261845E-01
-2.016933E-01
-8.270477E-03
-2.370758E-01
-1.150628E-02
-9.973982E-01
-2.489516E-01
-2.152505E-01
-9.424546E-03
-7.502684E-02
-1.208304E-03
-1.244515E-01
-3.168682E-03
-7.515812E-02
-1.151397E-03
-6.355178E-02
-8.423316E-04
-1.040915E-01
-2.224064E-03
-6.902234E-02
-9.843766E-04
-1.978591E-01
-7.894161E-03
-5.162186E-01
-5.357742E-02
-1.897326E-01
-7.231935E-03
-1.827950E-01
-6.839560E-03
-5.780661E-01
-6.799910E-02
-1.881215E-01
-7.093746E-03
-6.083700E-02
-7.861240E-04
-9.978991E-02
-2.022733E-03
-6.004653E-02
-7.428556E-04
-4.951220E-02
-4.952385E-04
-7.401227E-02
-1.124154E-03
-5.151090E-02
-5.339359E-04
-1.356118E-01
-3.711749E-03
-3.400140E-01
-2.367518E-02
-1.385305E-01
-4.060592E-03
-1.438711E-01
-4.191824E-03
-3.276170E-01
-2.210924E-02
-1.279501E-01
-3.435254E-03
-4.852204E-02
-4.919417E-04
-7.229090E-02
-1.062894E-03
-4.344414E-02
-3.825354E-04
+5.296804E-02
+5.661701E-04
+8.356446E-02
+1.412139E-03
+5.041335E-02
+5.143568E-04
+1.299348E-01
+3.467618E-03
+3.929702E-01
+3.147038E-02
+1.379707E-01
+3.888484E-03
+1.405034E-01
+4.473799E-03
+3.785796E-01
+2.940585E-02
+1.422010E-01
+4.113723E-03
+5.647073E-02
+6.735251E-04
+7.911154E-02
+1.329137E-03
+5.160755E-02
+5.361448E-04
+6.669424E-02
+9.090832E-04
+1.008621E-01
+2.134534E-03
+6.808932E-02
+9.355993E-04
+1.873006E-01
+7.135961E-03
+6.221575E-01
+7.819842E-02
+1.856653E-01
+6.954762E-03
+2.014929E-01
+8.327845E-03
+5.853251E-01
+6.945708E-02
+1.709645E-01
+5.917124E-03
+7.214913E-02
+1.058962E-03
+1.027720E-01
+2.138475E-03
+6.099853E-02
+7.493941E-04
+6.892071E-02
+9.630680E-04
+1.035459E-01
+2.173883E-03
+6.973870E-02
+9.904237E-04
+2.125703E-01
+9.112659E-03
+9.012205E-01
+2.163546E-01
+2.066426E-01
+8.617414E-03
+2.258950E-01
+1.039607E-02
+9.476792E-01
+2.350708E-01
+2.225585E-01
+1.017898E-02
+7.111503E-02
+1.036847E-03
+1.117012E-01
+2.530040E-03
+6.870474E-02
+9.551035E-04
+5.738897E-02
+6.699030E-04
+9.522335E-02
+1.835769E-03
+6.570917E-02
+8.656870E-04
+1.945592E-01
+7.593336E-03
+5.514753E-01
+6.122981E-02
+2.144202E-01
+9.421739E-03
+1.971631E-01
+7.944046E-03
+6.088996E-01
+7.442954E-02
+1.965447E-01
+7.765628E-03
+7.005494E-02
+1.012891E-03
+1.010633E-01
+2.084095E-03
+6.145926E-02
+7.694351E-04
+4.999479E-02
+5.129164E-04
+7.238243E-02
+1.062921E-03
+4.902309E-02
+4.852193E-04
+1.324655E-01
+3.642431E-03
+3.305312E-01
+2.265726E-02
+1.332993E-01
+3.728385E-03
+1.547469E-01
+4.894837E-03
+3.625944E-01
+2.747313E-02
+1.435761E-01
+4.334405E-03
+5.789603E-02
+7.065383E-04
+7.589559E-02
+1.205386E-03
+5.210018E-02
+5.790843E-04
 tally 2:
-2.379877E-01
-1.141258E-02
-2.376600E-01
-1.137350E-02
-6.546514E-01
-8.852321E-02
-5.823862E-01
-6.810779E-02
-2.692631E-01
-1.479426E-02
-2.360469E-01
-1.124950E-02
-3.534788E-01
-2.528363E-02
-3.247931E-01
-2.160130E-02
-1.181513E+00
-2.959140E-01
-1.078874E+00
-2.467321E-01
-3.743375E-01
-2.859905E-02
-3.468123E-01
-2.427809E-02
-3.203903E-01
-2.109786E-02
-3.315547E-01
-2.216053E-02
-1.039077E+00
-2.294722E-01
-1.091786E+00
-2.572834E-01
-3.615960E-01
-2.678347E-02
-3.323317E-01
-2.226424E-02
-2.519726E-01
-1.279098E-02
-2.332385E-01
-1.101251E-02
-5.587247E-01
-6.293355E-02
-5.426859E-01
-6.010041E-02
-2.332981E-01
-1.097940E-02
-2.239951E-01
-1.043440E-02
+2.572693E-01
+1.338921E-02
+2.567576E-01
+1.333558E-02
+6.127899E-01
+7.781914E-02
+6.163075E-01
+7.600273E-02
+2.566545E-01
+1.372553E-02
+2.509744E-01
+1.286275E-02
+3.366720E-01
+2.282560E-02
+3.216175E-01
+2.103222E-02
+1.118187E+00
+2.697988E-01
+1.050003E+00
+2.391098E-01
+3.407360E-01
+2.332214E-02
+3.150094E-01
+2.006040E-02
+3.130223E-01
+2.001074E-02
+3.238651E-01
+2.101351E-02
+1.061186E+00
+2.372828E-01
+1.099461E+00
+2.597134E-01
+3.445524E-01
+2.400393E-02
+3.429055E-01
+2.372392E-02
+2.299776E-01
+1.064851E-02
+2.208901E-01
+9.829109E-03
+6.015657E-01
+7.399276E-02
+5.851229E-01
+7.165716E-02
+2.583609E-01
+1.364046E-02
+2.456380E-01
+1.257735E-02
 tally 3:
-4.880089E-02
-4.894233E-04
-8.221192E-02
-1.373712E-03
-5.205261E-02
-5.584673E-04
-1.272758E-01
-3.371623E-03
-3.599375E-01
-2.655645E-02
-1.377572E-01
-3.835778E-03
-1.646205E-01
-5.916595E-03
-3.806765E-01
-2.947576E-02
-1.470573E-01
-4.360385E-03
-5.568294E-02
-6.368003E-04
-6.775790E-02
-9.447074E-04
-5.580909E-02
-6.303584E-04
-6.674847E-02
-9.080853E-04
-9.747628E-02
-1.934325E-03
-6.824062E-02
-9.908844E-04
-1.891692E-01
-7.211874E-03
-5.976566E-01
-7.206211E-02
-1.805640E-01
-6.599680E-03
-2.114692E-01
-9.202185E-03
-6.514433E-01
-8.523087E-02
-1.905740E-01
-7.287607E-03
-7.633486E-02
-1.216488E-03
-1.117747E-01
-2.538705E-03
-7.438042E-02
-1.127109E-03
-7.356007E-02
-1.090617E-03
-1.161258E-01
-2.734941E-03
-6.745417E-02
-9.371031E-04
-2.153323E-01
-9.293477E-03
-9.414362E-01
-2.261845E-01
-2.016933E-01
-8.270477E-03
-2.370758E-01
-1.150628E-02
-9.973982E-01
-2.489516E-01
-2.152505E-01
-9.424546E-03
-7.502684E-02
-1.208304E-03
-1.244515E-01
-3.168682E-03
-7.515812E-02
-1.151397E-03
-6.355178E-02
-8.423316E-04
-1.040915E-01
-2.224064E-03
-6.902234E-02
-9.843766E-04
-1.978591E-01
-7.894161E-03
-5.162186E-01
-5.357742E-02
-1.897326E-01
-7.231935E-03
-1.827950E-01
-6.839560E-03
-5.780661E-01
-6.799910E-02
-1.881215E-01
-7.093746E-03
-6.083700E-02
-7.861240E-04
-9.978991E-02
-2.022733E-03
-6.004653E-02
-7.428556E-04
-4.951220E-02
-4.952385E-04
-7.401227E-02
-1.124154E-03
-5.151090E-02
-5.339359E-04
-1.356118E-01
-3.711749E-03
-3.400140E-01
-2.367518E-02
-1.385305E-01
-4.060592E-03
-1.438711E-01
-4.191824E-03
-3.276170E-01
-2.210924E-02
-1.279501E-01
-3.435254E-03
-4.852204E-02
-4.919417E-04
-7.229090E-02
-1.062894E-03
-4.344414E-02
-3.825354E-04
+5.296804E-02
+5.661701E-04
+8.356446E-02
+1.412139E-03
+5.041335E-02
+5.143568E-04
+1.299348E-01
+3.467618E-03
+3.929702E-01
+3.147038E-02
+1.379707E-01
+3.888484E-03
+1.405034E-01
+4.473799E-03
+3.785796E-01
+2.940585E-02
+1.422010E-01
+4.113723E-03
+5.647073E-02
+6.735251E-04
+7.911154E-02
+1.329137E-03
+5.160755E-02
+5.361448E-04
+6.669424E-02
+9.090832E-04
+1.008621E-01
+2.134534E-03
+6.808932E-02
+9.355993E-04
+1.873006E-01
+7.135961E-03
+6.221575E-01
+7.819842E-02
+1.856653E-01
+6.954762E-03
+2.014929E-01
+8.327845E-03
+5.853251E-01
+6.945708E-02
+1.709645E-01
+5.917124E-03
+7.214913E-02
+1.058962E-03
+1.027720E-01
+2.138475E-03
+6.099853E-02
+7.493941E-04
+6.892071E-02
+9.630680E-04
+1.035459E-01
+2.173883E-03
+6.973870E-02
+9.904237E-04
+2.125703E-01
+9.112659E-03
+9.012205E-01
+2.163546E-01
+2.066426E-01
+8.617414E-03
+2.258950E-01
+1.039607E-02
+9.476792E-01
+2.350708E-01
+2.225585E-01
+1.017898E-02
+7.111503E-02
+1.036847E-03
+1.117012E-01
+2.530040E-03
+6.870474E-02
+9.551035E-04
+5.738897E-02
+6.699030E-04
+9.522335E-02
+1.835769E-03
+6.570917E-02
+8.656870E-04
+1.945592E-01
+7.593336E-03
+5.514753E-01
+6.122981E-02
+2.144202E-01
+9.421739E-03
+1.971631E-01
+7.944046E-03
+6.088996E-01
+7.442954E-02
+1.965447E-01
+7.765628E-03
+7.005494E-02
+1.012891E-03
+1.010633E-01
+2.084095E-03
+6.145926E-02
+7.694351E-04
+4.999479E-02
+5.129164E-04
+7.238243E-02
+1.062921E-03
+4.902309E-02
+4.852193E-04
+1.324655E-01
+3.642431E-03
+3.305312E-01
+2.265726E-02
+1.332993E-01
+3.728385E-03
+1.547469E-01
+4.894837E-03
+3.625944E-01
+2.747313E-02
+1.435761E-01
+4.334405E-03
+5.789603E-02
+7.065383E-04
+7.589559E-02
+1.205386E-03
+5.210018E-02
+5.790843E-04
 tally 4:
-2.379877E-01
-1.141258E-02
-2.376600E-01
-1.137350E-02
-6.546514E-01
-8.852321E-02
-5.823862E-01
-6.810779E-02
-2.692631E-01
-1.479426E-02
-2.360469E-01
-1.124950E-02
-3.534788E-01
-2.528363E-02
-3.247931E-01
-2.160130E-02
-1.181513E+00
-2.959140E-01
-1.078874E+00
-2.467321E-01
-3.743375E-01
-2.859905E-02
-3.468123E-01
-2.427809E-02
-3.203903E-01
-2.109786E-02
-3.315547E-01
-2.216053E-02
-1.039077E+00
-2.294722E-01
-1.091786E+00
-2.572834E-01
-3.615960E-01
-2.678347E-02
-3.323317E-01
-2.226424E-02
-2.519726E-01
-1.279098E-02
-2.332385E-01
-1.101251E-02
-5.587247E-01
-6.293355E-02
-5.426859E-01
-6.010041E-02
-2.332981E-01
-1.097940E-02
-2.239951E-01
-1.043440E-02
+2.572693E-01
+1.338921E-02
+2.567576E-01
+1.333558E-02
+6.127899E-01
+7.781914E-02
+6.163075E-01
+7.600273E-02
+2.566545E-01
+1.372553E-02
+2.509744E-01
+1.286275E-02
+3.366720E-01
+2.282560E-02
+3.216175E-01
+2.103222E-02
+1.118187E+00
+2.697988E-01
+1.050003E+00
+2.391098E-01
+3.407360E-01
+2.332214E-02
+3.150094E-01
+2.006040E-02
+3.130223E-01
+2.001074E-02
+3.238651E-01
+2.101351E-02
+1.061186E+00
+2.372828E-01
+1.099461E+00
+2.597134E-01
+3.445524E-01
+2.400393E-02
+3.429055E-01
+2.372392E-02
+2.299776E-01
+1.064851E-02
+2.208901E-01
+9.829109E-03
+6.015657E-01
+7.399276E-02
+5.851229E-01
+7.165716E-02
+2.583609E-01
+1.364046E-02
+2.456380E-01
+1.257735E-02
diff --git a/tests/regression_tests/ifp/results_true.dat b/tests/regression_tests/ifp/results_true.dat
index a74e2bd78..1d8f69e12 100644
--- a/tests/regression_tests/ifp/results_true.dat
+++ b/tests/regression_tests/ifp/results_true.dat
@@ -1,9 +1,9 @@
 k-combined:
-1.007452E+00 5.705278E-03
+1.006559E+00 5.389391E-03
 tally 1:
-8.996235E-08
-5.461421E-16
-4.800000E-02
-4.680000E-04
-1.512000E+01
-1.526063E+01
+9.109384E-08
+5.667165E-16
+6.500000E-02
+6.710000E-04
+1.489000E+01
+1.480036E+01
diff --git a/tests/regression_tests/infinite_cell/results_true.dat b/tests/regression_tests/infinite_cell/results_true.dat
index 2c4ce082d..4cdbcaf88 100644
--- a/tests/regression_tests/infinite_cell/results_true.dat
+++ b/tests/regression_tests/infinite_cell/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-9.589951E-02 8.489144E-04
+9.603664E-02 1.050772E-03
diff --git a/tests/regression_tests/iso_in_lab/results_true.dat b/tests/regression_tests/iso_in_lab/results_true.dat
index aaef22623..0378ec86d 100644
--- a/tests/regression_tests/iso_in_lab/results_true.dat
+++ b/tests/regression_tests/iso_in_lab/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-9.015537E-01 1.086850E-01
+9.365837E-01 5.366122E-02
diff --git a/tests/regression_tests/lattice/results_true.dat b/tests/regression_tests/lattice/results_true.dat
index f3e937b36..dca84bd6a 100644
--- a/tests/regression_tests/lattice/results_true.dat
+++ b/tests/regression_tests/lattice/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-9.610829E-01 2.522714E-02
+9.182679E-01 5.270201E-02
diff --git a/tests/regression_tests/lattice_distribmat/False/results_true.dat b/tests/regression_tests/lattice_distribmat/False/results_true.dat
index 45a9ddb0a..9ebbb43b8 100644
--- a/tests/regression_tests/lattice_distribmat/False/results_true.dat
+++ b/tests/regression_tests/lattice_distribmat/False/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-1.863277E+00 1.289821E-02
+1.848895E+00 1.480242E-02
diff --git a/tests/regression_tests/lattice_distribmat/True/results_true.dat b/tests/regression_tests/lattice_distribmat/True/results_true.dat
index 45a9ddb0a..9ebbb43b8 100644
--- a/tests/regression_tests/lattice_distribmat/True/results_true.dat
+++ b/tests/regression_tests/lattice_distribmat/True/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-1.863277E+00 1.289821E-02
+1.848895E+00 1.480242E-02
diff --git a/tests/regression_tests/lattice_distribrho/results_true.dat b/tests/regression_tests/lattice_distribrho/results_true.dat
index d7094f4e3..f7f3da8e6 100644
--- a/tests/regression_tests/lattice_distribrho/results_true.dat
+++ b/tests/regression_tests/lattice_distribrho/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-1.904471E+00 5.255549E-03
+1.900249E+00 8.157834E-03
diff --git a/tests/regression_tests/lattice_hex/results_true.dat b/tests/regression_tests/lattice_hex/results_true.dat
index 789bacc40..46db641eb 100644
--- a/tests/regression_tests/lattice_hex/results_true.dat
+++ b/tests/regression_tests/lattice_hex/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-2.566607E-01 9.207770E-03
+2.595598E-01 9.089294E-03
diff --git a/tests/regression_tests/lattice_hex_coincident/results_true.dat b/tests/regression_tests/lattice_hex_coincident/results_true.dat
index c134e123f..c798b66e4 100644
--- a/tests/regression_tests/lattice_hex_coincident/results_true.dat
+++ b/tests/regression_tests/lattice_hex_coincident/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-1.917792E+00 4.329425E-02
+1.931086E+00 5.968486E-02
diff --git a/tests/regression_tests/lattice_hex_x/results_true.dat b/tests/regression_tests/lattice_hex_x/results_true.dat
index 174dc70cd..44f947283 100644
--- a/tests/regression_tests/lattice_hex_x/results_true.dat
+++ b/tests/regression_tests/lattice_hex_x/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-1.367975E+00 2.264887E-02
+1.326294E+00 1.193578E-02
diff --git a/tests/regression_tests/lattice_multiple/results_true.dat b/tests/regression_tests/lattice_multiple/results_true.dat
index 7a06551bd..0866932d2 100644
--- a/tests/regression_tests/lattice_multiple/results_true.dat
+++ b/tests/regression_tests/lattice_multiple/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-1.859911E+00 8.282311E-03
+1.843982E+00 5.815875E-03
diff --git a/tests/regression_tests/lattice_rotated/results_true.dat b/tests/regression_tests/lattice_rotated/results_true.dat
index eeaa268fb..9a96a9259 100644
--- a/tests/regression_tests/lattice_rotated/results_true.dat
+++ b/tests/regression_tests/lattice_rotated/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-4.426784E-01 6.627506E-03
+4.515246E-01 2.358354E-02
diff --git a/tests/regression_tests/mg_basic/results_true.dat b/tests/regression_tests/mg_basic/results_true.dat
index 15a9f2186..16980732d 100644
--- a/tests/regression_tests/mg_basic/results_true.dat
+++ b/tests/regression_tests/mg_basic/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-1.009864E+00 1.107115E-02
+1.004679E+00 1.329350E-02
diff --git a/tests/regression_tests/mg_basic_delayed/results_true.dat b/tests/regression_tests/mg_basic_delayed/results_true.dat
index 6f7c79c1b..f150030b9 100644
--- a/tests/regression_tests/mg_basic_delayed/results_true.dat
+++ b/tests/regression_tests/mg_basic_delayed/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-1.024610E+00 9.643746E-03
+1.017078E+00 1.181139E-02
diff --git a/tests/regression_tests/mg_convert/results_true.dat b/tests/regression_tests/mg_convert/results_true.dat
index ff3d7bb91..f8f748cc7 100644
--- a/tests/regression_tests/mg_convert/results_true.dat
+++ b/tests/regression_tests/mg_convert/results_true.dat
@@ -1,24 +1,24 @@
 k-combined:
-9.984888E-01 1.558301E-03
+9.926427E-01 3.067527E-03
 k-combined:
-1.001035E+00 7.622447E-04
+9.932868E-01 2.780271E-03
 k-combined:
-9.984888E-01 1.558301E-03
+9.926427E-01 3.067527E-03
 k-combined:
-9.991101E-01 2.776191E-03
+1.000000E+00 0.000000E+00
 k-combined:
-9.965954E-01 5.185046E-03
+9.902969E-01 1.654717E-02
 k-combined:
-9.987613E-01 4.806845E-04
+9.882796E-01 1.929843E-03
 k-combined:
-9.991101E-01 2.776191E-03
+1.000000E+00 0.000000E+00
 k-combined:
-9.965954E-01 5.185315E-03
+9.902953E-01 1.654291E-02
 k-combined:
-9.987610E-01 4.791528E-04
+9.882814E-01 1.927488E-03
 k-combined:
-9.944808E-01 4.458524E-03
+9.893153E-01 7.576652E-03
 k-combined:
-9.984888E-01 1.558301E-03
+9.926427E-01 3.067527E-03
 k-combined:
-9.984888E-01 1.558301E-03
+9.926427E-01 3.067527E-03
diff --git a/tests/regression_tests/mg_convert/test.py b/tests/regression_tests/mg_convert/test.py
index 8099c89a2..0e50f3a74 100755
--- a/tests/regression_tests/mg_convert/test.py
+++ b/tests/regression_tests/mg_convert/test.py
@@ -1,3 +1,4 @@
+from math import isnan
 import os
 import hashlib
 
@@ -142,10 +143,13 @@ class MGXSTestHarness(PyAPITestHarness):
                 openmc.run(openmc_exec=config['exe'])
 
             with openmc.StatePoint('statepoint.{}.h5'.format(batches)) as sp:
+                # Sometimes NaN results are produced; convert these to 0.0
+                std_dev = 0.0 if isnan(sp.keff.s) else sp.keff.s
+
                 # Write out k-combined.
                 outstr += 'k-combined:\n'
                 form = '{:12.6E} {:12.6E}\n'
-                outstr += form.format(sp.keff.n, sp.keff.s)
+                outstr += form.format(sp.keff.n, std_dev)
 
         return outstr
 
diff --git a/tests/regression_tests/mg_legendre/results_true.dat b/tests/regression_tests/mg_legendre/results_true.dat
index e2989469c..04d9c9874 100644
--- a/tests/regression_tests/mg_legendre/results_true.dat
+++ b/tests/regression_tests/mg_legendre/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-1.003646E+00 9.134747E-03
+1.009220E+00 9.571832E-03
diff --git a/tests/regression_tests/mg_max_order/results_true.dat b/tests/regression_tests/mg_max_order/results_true.dat
index e2989469c..04d9c9874 100644
--- a/tests/regression_tests/mg_max_order/results_true.dat
+++ b/tests/regression_tests/mg_max_order/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-1.003646E+00 9.134747E-03
+1.009220E+00 9.571832E-03
diff --git a/tests/regression_tests/mg_survival_biasing/results_true.dat b/tests/regression_tests/mg_survival_biasing/results_true.dat
index cddbdaceb..4b26978ad 100644
--- a/tests/regression_tests/mg_survival_biasing/results_true.dat
+++ b/tests/regression_tests/mg_survival_biasing/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-9.878738E-01 8.326224E-03
+9.889968E-01 9.144186E-03
diff --git a/tests/regression_tests/mg_tallies/results_true.dat b/tests/regression_tests/mg_tallies/results_true.dat
index 7484dd248..07fe22ce5 100644
--- a/tests/regression_tests/mg_tallies/results_true.dat
+++ b/tests/regression_tests/mg_tallies/results_true.dat
@@ -1,1324 +1,1324 @@
 k-combined:
-1.003646E+00 9.134747E-03
+1.012390E+00 9.679132E-03
 tally 1:
-5.220000E-01
-5.995400E-02
-1.400000E-02
-4.000000E-05
-6.718865E-03
-9.371695E-06
-1.106435E-02
-3.119729E-05
-1.216992E-07
-3.699412E-15
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+1.342000E+00
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 0.000000E+00
 0.000000E+00
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-5.220000E-01
-5.995400E-02
+5.839688E+06
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 0.000000E+00
 0.000000E+00
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-1.338762E+00
-1.160000E-01
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 tally 2:
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 tally 3:
-1.092010E+02
-2.386227E+03
-4.975000E+00
-4.950147E+00
-2.009472E+00
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 tally 4:
-1.092010E+02
-2.386227E+03
-4.979068E+00
-4.959690E+00
-2.016700E+00
-8.137138E-01
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 tally 5:
-1.097121E+02
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-5.019563E+00
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 tally 6:
-1.042260E+02
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 tally 7:
-6.507000E+00
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-1.444000E+00
-4.172780E-01
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 tally 8:
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 tally 9:
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 tally 10:
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 tally 11:
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 tally 12:
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 tally 13:
-1.092010E+02
-2.386227E+03
-4.975000E+00
-4.950147E+00
-2.009472E+00
-8.076733E-01
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-5.012321E+00
-2.728992E-05
-1.491241E-10
-4.964474E+00
-4.939215E+00
-3.617555E-02
-2.875519E-04
-4.018944E+08
-3.230693E+16
-1.092010E+02
-2.386227E+03
-1.333979E-02
-5.019969E-05
-1.042260E+02
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-1.042260E+02
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+1.059695E-02
+2.782849E-05
+1.048490E+02
+2.199887E+03
+1.048490E+02
+2.199887E+03
 tally 14:
-1.092010E+02
-2.386227E+03
-4.979068E+00
-4.959690E+00
-2.016700E+00
-8.137138E-01
-5.041749E+00
-5.085712E+00
-5.020635E-05
-5.047241E-10
-5.009785E+00
-5.021429E+00
-3.196471E-02
-2.044235E-04
-4.033399E+08
-3.254855E+16
-1.092010E+02
-2.386227E+03
-1.497710E-02
-4.487918E-05
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+4.057347E+08
+3.293927E+16
+1.098420E+02
+2.414277E+03
+1.506603E-02
+4.541792E-05
 tally 15:
-1.097121E+02
-2.408636E+03
-5.009145E+00
-5.019563E+00
-2.032191E+00
-8.264420E-01
-5.080477E+00
-5.165263E+00
-2.756641E-05
-1.523527E-10
-5.048267E+00
-5.099975E+00
-3.221025E-02
-2.076211E-04
-4.064382E+08
-3.305768E+16
-1.093810E+02
-2.394075E+03
-1.509215E-02
-4.558119E-05
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+3.335165E+16
+1.098580E+02
+2.414983E+03
+1.515912E-02
+4.598653E-05
 tally 16:
-1.042260E+02
-2.173864E+03
-1.042260E+02
-2.173864E+03
-5.000649E+00
-5.012321E+00
+1.048490E+02
+2.199887E+03
+1.048490E+02
+2.199887E+03
+5.037812E+00
+5.086734E+00
 tally 17:
-6.507000E+00
-8.478423E+00
-1.444000E+00
-4.172780E-01
-1.146407E+00
-2.630079E-01
-2.867025E+00
-1.647980E+00
-2.707153E-05
-1.467503E-10
-2.848880E+00
-1.627146E+00
-1.814469E-02
-6.685238E-05
-2.292814E+08
-1.052031E+16
-6.507000E+00
-8.478423E+00
-9.467712E-03
-2.396878E-05
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-1.026940E+02
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 3.531000E+00
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 8.630652E-01
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-2.133624E+00
-9.150435E-01
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 1.726130E+08
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 tally 18:
-6.507000E+00
-8.478423E+00
-1.455344E+00
-4.241161E-01
-1.155413E+00
-2.673178E-01
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-2.870219E+00
-1.649619E+00
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-6.715634E-05
-2.310826E+08
-1.069271E+16
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-8.478423E+00
-8.580723E-03
-1.474352E-05
-1.026940E+02
-2.110535E+03
-3.523724E+00
-2.484884E+00
-8.612868E-01
-1.484560E-01
-2.153217E+00
-9.278503E-01
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-8.460574E-14
-2.139566E+00
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 tally 19:
-6.573230E+00
-8.663027E+00
-1.470157E+00
-4.333505E-01
-1.167173E+00
-2.731383E-01
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 tally 20:
-5.063000E+00
-5.136983E+00
-5.063000E+00
-5.136983E+00
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 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
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-1.647980E+00
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 0.000000E+00
 0.000000E+00
-9.771800E+01
-1.911083E+03
-9.771800E+01
-1.911083E+03
-2.133624E+00
-9.150435E-01
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diff --git a/tests/regression_tests/mg_temperature/results_true.dat b/tests/regression_tests/mg_temperature/results_true.dat
index 19364e1d9..6de4c6bb1 100644
--- a/tests/regression_tests/mg_temperature/results_true.dat
+++ b/tests/regression_tests/mg_temperature/results_true.dat
@@ -1,40 +1,40 @@
 micro, method: nearest, t: 300.0, k-combined:
-1.439563E+00 4.526076E-04
+1.439913E+00 4.285638E-04
 kanalyt
 1.440410E+00
 micro, method: nearest, t: 600.0, k-combined:
-1.409389E+00 4.684481E-04
+1.410750E+00 4.829834E-04
 kanalyt
 1.410164E+00
 micro, method: nearest, t: 900.0, k-combined:
-1.407593E+00 4.410387E-04
+1.408232E+00 4.946310E-04
 kanalyt
 1.407830E+00
 micro, method: interpolation, t: 520.0, k-combined:
-1.418259E+00 4.242856E-04
+1.418877E+00 4.651822E-04
 kanalyt
 1.418514E+00
 micro, method: interpolation, t: 600.0, k-combined:
-1.409389E+00 4.684481E-04
+1.410750E+00 4.829834E-04
 kanalyt
 1.410164E+00
 macro, method: nearest, t: 300.0, k-combined:
-1.439563E+00 4.526076E-04
+1.439913E+00 4.285638E-04
 kanalyt
 1.440410E+00
 macro, method: nearest, t: 600.0, k-combined:
-1.409389E+00 4.684481E-04
+1.410750E+00 4.829834E-04
 kanalyt
 1.410164E+00
 macro, method: nearest, t: 900.0, k-combined:
-1.407593E+00 4.410387E-04
+1.408232E+00 4.946310E-04
 kanalyt
 1.407830E+00
 macro, method: interpolation, t: 520.0, k-combined:
-1.418259E+00 4.242856E-04
+1.418877E+00 4.651822E-04
 kanalyt
 1.418514E+00
 macro, method: interpolation, t: 600, k-combined:
-1.409389E+00 4.684481E-04
+1.410750E+00 4.829834E-04
 kanalyt
 1.410164E+00
diff --git a/tests/regression_tests/mg_temperature_multi/results_true.dat b/tests/regression_tests/mg_temperature_multi/results_true.dat
index 80c2f5622..3e2f990c8 100644
--- a/tests/regression_tests/mg_temperature_multi/results_true.dat
+++ b/tests/regression_tests/mg_temperature_multi/results_true.dat
@@ -1,8 +1,8 @@
 k-combined:
-1.337115E+00 7.221249E-03
+1.309371E+00 6.765039E-03
 tally 1:
-2.549066E+01
-1.299987E+02
+2.532303E+01
+1.282689E+02
 tally 2:
-9.276778E+01
-1.721791E+03
+9.336894E+01
+1.743765E+03
diff --git a/tests/regression_tests/mgxs_library_ce_to_mg/results_true.dat b/tests/regression_tests/mgxs_library_ce_to_mg/results_true.dat
index d95659534..7ce106314 100644
--- a/tests/regression_tests/mgxs_library_ce_to_mg/results_true.dat
+++ b/tests/regression_tests/mgxs_library_ce_to_mg/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-1.158563E+00 3.354681E-02
+1.152065E+00 2.768158E-02
diff --git a/tests/regression_tests/mgxs_library_ce_to_mg_nuclides/results_true.dat b/tests/regression_tests/mgxs_library_ce_to_mg_nuclides/results_true.dat
index a4e9dafcc..50c8328c8 100644
--- a/tests/regression_tests/mgxs_library_ce_to_mg_nuclides/results_true.dat
+++ b/tests/regression_tests/mgxs_library_ce_to_mg_nuclides/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-6.025533E-01 1.157401E-02
+4.139942E-01 1.181308E-02
diff --git a/tests/regression_tests/mgxs_library_condense/results_true.dat b/tests/regression_tests/mgxs_library_condense/results_true.dat
index ae5bff6e3..98b30932c 100644
--- a/tests/regression_tests/mgxs_library_condense/results_true.dat
+++ b/tests/regression_tests/mgxs_library_condense/results_true.dat
@@ -1,362 +1,362 @@
   mesh 1       group in nuclide      mean std. dev.
        x  y  z                                     
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   mesh 1       group in nuclide      mean std. dev.
        x  y  z                                     
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   mesh 1       group in nuclide      mean std. dev.
        x  y  z                                     
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   mesh 1       group in nuclide      mean std. dev.
        x  y  z                                     
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   mesh 1       group in nuclide      mean std. dev.
        x  y  z                                     
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   mesh 1       group in nuclide      mean std. dev.
        x  y  z                                     
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   mesh 1       group in nuclide      mean std. dev.
        x  y  z                                     
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   mesh 1       group in nuclide      mean std. dev.
        x  y  z                                     
-0      1  1  1        1   total  0.026218  0.001180
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   mesh 1       group in nuclide          mean      std. dev.
        x  y  z                                              
-0      1  1  1        1   total  2.067337e+06   93152.452502
-2      1  2  1        1   total  2.026907e+06   86377.585629
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   mesh 1       group in nuclide      mean std. dev.
        x  y  z                                     
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   mesh 1       group in nuclide      mean std. dev.
        x  y  z                                     
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    mesh 1       group in group out legendre nuclide      mean std. dev.
         x  y  z                                                        
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    mesh 1       group in group out legendre nuclide      mean std. dev.
         x  y  z                                                        
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+15      2  2  1        1         1       P3   total  0.011515  0.003236
   mesh 1       group in group out nuclide mean std. dev.
        x  y  z                                          
-0      1  1  1        1         1   total  1.0  0.041183
-2      1  2  1        1         1   total  1.0  0.021636
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   mesh 1       group in group out nuclide      mean std. dev.
        x  y  z                                               
-0      1  1  1        1         1   total  0.027090  0.002808
-2      1  2  1        1         1   total  0.031522  0.004261
-1      2  1  1        1         1   total  0.021855  0.001457
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   mesh 1       group in group out nuclide mean std. dev.
        x  y  z                                          
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    mesh 1       group in group out legendre nuclide      mean std. dev.
         x  y  z                                                        
-0       1  1  1        1         1       P0   total  0.677411  0.039336
-1       1  1  1        1         1       P1   total  0.254754  0.014995
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-12      2  2  1        1         1       P0   total  0.680525  0.039486
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    mesh 1       group in group out legendre nuclide      mean std. dev.
         x  y  z                                                        
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-2       1  1  1        1         1       P2   total  0.086711  0.007363
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-9       1  2  1        1         1       P1   total  0.259060  0.014917
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-5       2  1  1        1         1       P1   total  0.258859  0.018326
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   mesh 1       group out nuclide mean std. dev.
        x  y  z                                 
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   mesh 1       group out nuclide mean std. dev.
        x  y  z                                 
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   mesh 1       group in nuclide          mean     std. dev.
        x  y  z                                             
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+1      2  1  1        1   total  5.206450e-07  2.814648e-08
+3      2  2  1        1   total  5.278759e-07  3.171554e-08
   mesh 1       group in nuclide      mean std. dev.
        x  y  z                                     
-0      1  1  1        1   total  0.026032  0.001172
-2      1  2  1        1   total  0.025542  0.001086
-1      2  1  1        1   total  0.029121  0.001254
-3      2  2  1        1   total  0.025271  0.001329
+0      1  1  1        1   total  0.026414  0.001944
+2      1  2  1        1   total  0.025515  0.001432
+1      2  1  1        1   total  0.026267  0.001008
+3      2  2  1        1   total  0.026125  0.001667
   mesh 1       group in group out nuclide      mean std. dev.
        x  y  z                                               
-0      1  1  1        1         1   total  0.027090  0.002808
-2      1  2  1        1         1   total  0.031522  0.004261
-1      2  1  1        1         1   total  0.021855  0.001457
-3      2  2  1        1         1   total  0.028262  0.002358
+0      1  1  1        1         1   total  0.028220  0.003510
+2      1  2  1        1         1   total  0.021754  0.001519
+1      2  1  1        1         1   total  0.025487  0.002676
+3      2  2  1        1         1   total  0.026281  0.002263
    mesh 1               group in nuclide   mean std. dev.
         x  y       surf                                  
-3       1  1   x-max in        1   total  4.280  0.164469
-2       1  1  x-max out        1   total  4.250  0.107135
+3       1  1   x-max in        1   total  4.244  0.096333
+2       1  1  x-max out        1   total  4.378  0.107210
 1       1  1   x-min in        1   total  0.000  0.000000
 0       1  1  x-min out        1   total  0.000  0.000000
-7       1  1   y-max in        1   total  4.364  0.105622
-6       1  1  y-max out        1   total  4.412  0.158019
+7       1  1   y-max in        1   total  4.388  0.116508
+6       1  1  y-max out        1   total  4.284  0.129066
 5       1  1   y-min in        1   total  0.000  0.000000
 4       1  1  y-min out        1   total  0.000  0.000000
-19      1  2   x-max in        1   total  4.388  0.102470
-18      1  2  x-max out        1   total  4.428  0.140228
+19      1  2   x-max in        1   total  4.280  0.139971
+18      1  2  x-max out        1   total  4.152  0.117141
 17      1  2   x-min in        1   total  0.000  0.000000
 16      1  2  x-min out        1   total  0.000  0.000000
 23      1  2   y-max in        1   total  0.000  0.000000
 22      1  2  y-max out        1   total  0.000  0.000000
-21      1  2   y-min in        1   total  4.412  0.158019
-20      1  2  y-min out        1   total  4.364  0.105622
+21      1  2   y-min in        1   total  4.284  0.129066
+20      1  2  y-min out        1   total  4.388  0.116508
 11      2  1   x-max in        1   total  0.000  0.000000
 10      2  1  x-max out        1   total  0.000  0.000000
-9       2  1   x-min in        1   total  4.250  0.107135
-8       2  1  x-min out        1   total  4.280  0.164469
-15      2  1   y-max in        1   total  4.402  0.182565
-14      2  1  y-max out        1   total  4.346  0.148189
+9       2  1   x-min in        1   total  4.378  0.107210
+8       2  1  x-min out        1   total  4.244  0.096333
+15      2  1   y-max in        1   total  4.280  0.079070
+14      2  1  y-max out        1   total  4.416  0.093648
 13      2  1   y-min in        1   total  0.000  0.000000
 12      2  1  y-min out        1   total  0.000  0.000000
 27      2  2   x-max in        1   total  0.000  0.000000
 26      2  2  x-max out        1   total  0.000  0.000000
-25      2  2   x-min in        1   total  4.428  0.140228
-24      2  2  x-min out        1   total  4.388  0.102470
+25      2  2   x-min in        1   total  4.152  0.117141
+24      2  2  x-min out        1   total  4.280  0.139971
 31      2  2   y-max in        1   total  0.000  0.000000
 30      2  2  y-max out        1   total  0.000  0.000000
-29      2  2   y-min in        1   total  4.346  0.148189
-28      2  2  y-min out        1   total  4.402  0.182565
+29      2  2   y-min in        1   total  4.416  0.093648
+28      2  2  y-min out        1   total  4.280  0.079070
   mesh 1       group in nuclide      mean std. dev.
        x  y  z                                     
-0      1  1  1        1   total  0.950616  0.095874
-2      1  2  1        1   total  0.932532  0.086323
-1      2  1  1        1   total  0.885723  0.041074
-3      2  2  1        1   total  0.951783  0.101570
+0      1  1  1        1   total  0.943198  0.067915
+2      1  2  1        1   total  0.895741  0.058714
+1      2  1  1        1   total  0.911011  0.068461
+3      2  2  1        1   total  0.927611  0.066426
   mesh 1       group in nuclide      mean std. dev.
        x  y  z                                     
-0      1  1  1        1   total  0.950616  0.095874
-2      1  2  1        1   total  0.932532  0.086323
-1      2  1  1        1   total  0.885723  0.041074
-3      2  2  1        1   total  0.951783  0.101570
+0      1  1  1        1   total  0.943198  0.067915
+2      1  2  1        1   total  0.895741  0.058714
+1      2  1  1        1   total  0.911011  0.068461
+3      2  2  1        1   total  0.927611  0.066426
    mesh 1       delayedgroup group in nuclide      mean     std. dev.
         x  y  z                                                      
-0       1  1  1            1        1   total  0.000006  2.679142e-07
-1       1  1  1            2        1   total  0.000032  1.417723e-06
-2       1  1  1            3        1   total  0.000031  1.376260e-06
-3       1  1  1            4        1   total  0.000072  3.185580e-06
-4       1  1  1            5        1   total  0.000032  1.433425e-06
-5       1  1  1            6        1   total  0.000013  5.956400e-07
-12      1  2  1            1        1   total  0.000006  2.486865e-07
-13      1  2  1            2        1   total  0.000031  1.323941e-06
-14      1  2  1            3        1   total  0.000030  1.292803e-06
-15      1  2  1            4        1   total  0.000071  3.032740e-06
-16      1  2  1            5        1   total  0.000031  1.426193e-06
-17      1  2  1            6        1   total  0.000013  5.903673e-07
-6       2  1  1            1        1   total  0.000007  2.871910e-07
-7       2  1  1            2        1   total  0.000035  1.501590e-06
-8       2  1  1            3        1   total  0.000034  1.448170e-06
-9       2  1  1            4        1   total  0.000079  3.318195e-06
-10      2  1  1            5        1   total  0.000035  1.465737e-06
-11      2  1  1            6        1   total  0.000015  6.097547e-07
-18      2  2  1            1        1   total  0.000006  3.042761e-07
-19      2  2  1            2        1   total  0.000031  1.603780e-06
-20      2  2  1            3        1   total  0.000030  1.553523e-06
-21      2  2  1            4        1   total  0.000070  3.583849e-06
-22      2  2  1            5        1   total  0.000031  1.602620e-06
-23      2  2  1            6        1   total  0.000013  6.662067e-07
+0       1  1  1            1        1   total  0.000006  4.453421e-07
+1       1  1  1            2        1   total  0.000032  2.303082e-06
+2       1  1  1            3        1   total  0.000031  2.202789e-06
+3       1  1  1            4        1   total  0.000072  4.961025e-06
+4       1  1  1            5        1   total  0.000032  2.071919e-06
+5       1  1  1            6        1   total  0.000013  8.662934e-07
+12      1  2  1            1        1   total  0.000006  3.282329e-07
+13      1  2  1            2        1   total  0.000031  1.701766e-06
+14      1  2  1            3        1   total  0.000030  1.629615e-06
+15      1  2  1            4        1   total  0.000070  3.675759e-06
+16      1  2  1            5        1   total  0.000031  1.536226e-06
+17      1  2  1            6        1   total  0.000013  6.423838e-07
+6       2  1  1            1        1   total  0.000006  2.308186e-07
+7       2  1  1            2        1   total  0.000032  1.211112e-06
+8       2  1  1            3        1   total  0.000031  1.169911e-06
+9       2  1  1            4        1   total  0.000072  2.685832e-06
+10      2  1  1            5        1   total  0.000032  1.187072e-06
+11      2  1  1            6        1   total  0.000013  4.939053e-07
+18      2  2  1            1        1   total  0.000006  3.819684e-07
+19      2  2  1            2        1   total  0.000032  1.976073e-06
+20      2  2  1            3        1   total  0.000031  1.889748e-06
+21      2  2  1            4        1   total  0.000072  4.252207e-06
+22      2  2  1            5        1   total  0.000032  1.765565e-06
+23      2  2  1            6        1   total  0.000013  7.386890e-07
    mesh 1       delayedgroup group out nuclide mean std. dev.
         x  y  z                                              
-0       1  1  1            1         1   total  0.0       0.0
-1       1  1  1            2         1   total  0.0       0.0
-2       1  1  1            3         1   total  0.0       0.0
-3       1  1  1            4         1   total  0.0       0.0
-4       1  1  1            5         1   total  0.0       0.0
-5       1  1  1            6         1   total  0.0       0.0
-12      1  2  1            1         1   total  0.0       0.0
-13      1  2  1            2         1   total  0.0       0.0
-14      1  2  1            3         1   total  0.0       0.0
-15      1  2  1            4         1   total  0.0       0.0
-16      1  2  1            5         1   total  0.0       0.0
-17      1  2  1            6         1   total  0.0       0.0
-6       2  1  1            1         1   total  0.0       0.0
-7       2  1  1            2         1   total  0.0       0.0
-8       2  1  1            3         1   total  0.0       0.0
-9       2  1  1            4         1   total  0.0       0.0
-10      2  1  1            5         1   total  0.0       0.0
-11      2  1  1            6         1   total  0.0       0.0
-18      2  2  1            1         1   total  0.0       0.0
-19      2  2  1            2         1   total  0.0       0.0
-20      2  2  1            3         1   total  0.0       0.0
-21      2  2  1            4         1   total  0.0       0.0
-22      2  2  1            5         1   total  0.0       0.0
-23      2  2  1            6         1   total  0.0       0.0
+0       1  1  1            1         1   total  0.0  0.000000
+1       1  1  1            2         1   total  0.0  0.000000
+2       1  1  1            3         1   total  0.0  0.000000
+3       1  1  1            4         1   total  1.0  1.414214
+4       1  1  1            5         1   total  0.0  0.000000
+5       1  1  1            6         1   total  0.0  0.000000
+12      1  2  1            1         1   total  0.0  0.000000
+13      1  2  1            2         1   total  0.0  0.000000
+14      1  2  1            3         1   total  0.0  0.000000
+15      1  2  1            4         1   total  1.0  0.869026
+16      1  2  1            5         1   total  0.0  0.000000
+17      1  2  1            6         1   total  0.0  0.000000
+6       2  1  1            1         1   total  0.0  0.000000
+7       2  1  1            2         1   total  0.0  0.000000
+8       2  1  1            3         1   total  0.0  0.000000
+9       2  1  1            4         1   total  1.0  1.414214
+10      2  1  1            5         1   total  0.0  0.000000
+11      2  1  1            6         1   total  0.0  0.000000
+18      2  2  1            1         1   total  0.0  0.000000
+19      2  2  1            2         1   total  0.0  0.000000
+20      2  2  1            3         1   total  0.0  0.000000
+21      2  2  1            4         1   total  1.0  1.414214
+22      2  2  1            5         1   total  0.0  0.000000
+23      2  2  1            6         1   total  0.0  0.000000
    mesh 1       delayedgroup group in nuclide      mean std. dev.
         x  y  z                                                  
-0       1  1  1            1        1   total  0.000227  0.000011
-1       1  1  1            2        1   total  0.001212  0.000058
-2       1  1  1            3        1   total  0.001180  0.000057
-3       1  1  1            4        1   total  0.002734  0.000131
-4       1  1  1            5        1   total  0.001215  0.000059
-5       1  1  1            6        1   total  0.000506  0.000024
-12      1  2  1            1        1   total  0.000227  0.000010
-13      1  2  1            2        1   total  0.001213  0.000052
-14      1  2  1            3        1   total  0.001182  0.000051
-15      1  2  1            4        1   total  0.002744  0.000120
-16      1  2  1            5        1   total  0.001223  0.000056
-17      1  2  1            6        1   total  0.000509  0.000023
-6       2  1  1            1        1   total  0.000227  0.000013
-7       2  1  1            2        1   total  0.001207  0.000067
-8       2  1  1            3        1   total  0.001173  0.000065
-9       2  1  1            4        1   total  0.002710  0.000150
-10      2  1  1            5        1   total  0.001195  0.000066
-11      2  1  1            6        1   total  0.000498  0.000027
-18      2  2  1            1        1   total  0.000227  0.000014
-19      2  2  1            2        1   total  0.001212  0.000073
-20      2  2  1            3        1   total  0.001180  0.000071
-21      2  2  1            4        1   total  0.002740  0.000163
-22      2  2  1            5        1   total  0.001221  0.000073
-23      2  2  1            6        1   total  0.000508  0.000030
+0       1  1  1            1        1   total  0.000227  0.000023
+1       1  1  1            2        1   total  0.001210  0.000119
+2       1  1  1            3        1   total  0.001176  0.000114
+3       1  1  1            4        1   total  0.002722  0.000261
+4       1  1  1            5        1   total  0.001204  0.000112
+5       1  1  1            6        1   total  0.000501  0.000047
+12      1  2  1            1        1   total  0.000227  0.000017
+13      1  2  1            2        1   total  0.001208  0.000087
+14      1  2  1            3        1   total  0.001174  0.000084
+15      1  2  1            4        1   total  0.002710  0.000192
+16      1  2  1            5        1   total  0.001194  0.000082
+17      1  2  1            6        1   total  0.000497  0.000034
+6       2  1  1            1        1   total  0.000227  0.000010
+7       2  1  1            2        1   total  0.001210  0.000053
+8       2  1  1            3        1   total  0.001177  0.000052
+9       2  1  1            4        1   total  0.002726  0.000119
+10      2  1  1            5        1   total  0.001208  0.000053
+11      2  1  1            6        1   total  0.000503  0.000022
+18      2  2  1            1        1   total  0.000227  0.000019
+19      2  2  1            2        1   total  0.001211  0.000102
+20      2  2  1            3        1   total  0.001178  0.000098
+21      2  2  1            4        1   total  0.002726  0.000223
+22      2  2  1            5        1   total  0.001207  0.000096
+23      2  2  1            6        1   total  0.000503  0.000040
    mesh 1       delayedgroup nuclide      mean std. dev.
         x  y  z                                         
-0       1  1  1            1   total  0.013354  0.000674
-1       1  1  1            2   total  0.032612  0.001720
-2       1  1  1            3   total  0.121057  0.006579
-3       1  1  1            4   total  0.305656  0.017398
-4       1  1  1            5   total  0.861000  0.053768
-5       1  1  1            6   total  2.891889  0.179407
-12      1  2  1            1   total  0.013354  0.000497
-13      1  2  1            2   total  0.032605  0.001150
-14      1  2  1            3   total  0.121071  0.004175
-15      1  2  1            4   total  0.305792  0.010484
-16      1  2  1            5   total  0.861500  0.032627
-17      1  2  1            6   total  2.893589  0.108347
-6       2  1  1            1   total  0.013352  0.000663
-7       2  1  1            2   total  0.032625  0.001570
-8       2  1  1            3   total  0.121029  0.005721
-9       2  1  1            4   total  0.305375  0.014144
-10      2  1  1            5   total  0.859955  0.039608
-11      2  1  1            6   total  2.888337  0.132844
-18      2  2  1            1   total  0.013354  0.000892
-19      2  2  1            2   total  0.032606  0.002209
-20      2  2  1            3   total  0.121069  0.008302
-21      2  2  1            4   total  0.305776  0.021416
-22      2  2  1            5   total  0.861442  0.063571
-23      2  2  1            6   total  2.893392  0.212640
-   mesh 1       delayedgroup group in group out nuclide mean std. dev.
-        x  y  z                                                       
-0       1  1  1            1        1         1   total  0.0       0.0
-1       1  1  1            2        1         1   total  0.0       0.0
-2       1  1  1            3        1         1   total  0.0       0.0
-3       1  1  1            4        1         1   total  0.0       0.0
-4       1  1  1            5        1         1   total  0.0       0.0
-5       1  1  1            6        1         1   total  0.0       0.0
-12      1  2  1            1        1         1   total  0.0       0.0
-13      1  2  1            2        1         1   total  0.0       0.0
-14      1  2  1            3        1         1   total  0.0       0.0
-15      1  2  1            4        1         1   total  0.0       0.0
-16      1  2  1            5        1         1   total  0.0       0.0
-17      1  2  1            6        1         1   total  0.0       0.0
-6       2  1  1            1        1         1   total  0.0       0.0
-7       2  1  1            2        1         1   total  0.0       0.0
-8       2  1  1            3        1         1   total  0.0       0.0
-9       2  1  1            4        1         1   total  0.0       0.0
-10      2  1  1            5        1         1   total  0.0       0.0
-11      2  1  1            6        1         1   total  0.0       0.0
-18      2  2  1            1        1         1   total  0.0       0.0
-19      2  2  1            2        1         1   total  0.0       0.0
-20      2  2  1            3        1         1   total  0.0       0.0
-21      2  2  1            4        1         1   total  0.0       0.0
-22      2  2  1            5        1         1   total  0.0       0.0
-23      2  2  1            6        1         1   total  0.0       0.0
+0       1  1  1            1   total  0.013353  0.001345
+1       1  1  1            2   total  0.032619  0.003120
+2       1  1  1            3   total  0.121042  0.011142
+3       1  1  1            4   total  0.305503  0.026418
+4       1  1  1            5   total  0.860433  0.064665
+5       1  1  1            6   total  2.889963  0.219527
+12      1  2  1            1   total  0.013352  0.001049
+13      1  2  1            2   total  0.032626  0.002465
+14      1  2  1            3   total  0.121027  0.008891
+15      1  2  1            4   total  0.305351  0.021426
+16      1  2  1            5   total  0.859866  0.054490
+17      1  2  1            6   total  2.888034  0.184436
+6       2  1  1            1   total  0.013353  0.000612
+7       2  1  1            2   total  0.032616  0.001412
+8       2  1  1            3   total  0.121047  0.005039
+9       2  1  1            4   total  0.305559  0.012002
+10      2  1  1            5   total  0.860640  0.030707
+11      2  1  1            6   total  2.890664  0.103692
+18      2  2  1            1   total  0.013353  0.001132
+19      2  2  1            2   total  0.032617  0.002633
+20      2  2  1            3   total  0.121046  0.009426
+21      2  2  1            4   total  0.305545  0.022417
+22      2  2  1            5   total  0.860588  0.055030
+23      2  2  1            6   total  2.890489  0.186821
+   mesh 1       delayedgroup group in group out nuclide      mean std. dev.
+        x  y  z                                                            
+0       1  1  1            1        1         1   total  0.000000  0.000000
+1       1  1  1            2        1         1   total  0.000000  0.000000
+2       1  1  1            3        1         1   total  0.000000  0.000000
+3       1  1  1            4        1         1   total  0.000219  0.000219
+4       1  1  1            5        1         1   total  0.000000  0.000000
+5       1  1  1            6        1         1   total  0.000000  0.000000
+12      1  2  1            1        1         1   total  0.000000  0.000000
+13      1  2  1            2        1         1   total  0.000000  0.000000
+14      1  2  1            3        1         1   total  0.000000  0.000000
+15      1  2  1            4        1         1   total  0.000467  0.000287
+16      1  2  1            5        1         1   total  0.000000  0.000000
+17      1  2  1            6        1         1   total  0.000000  0.000000
+6       2  1  1            1        1         1   total  0.000000  0.000000
+7       2  1  1            2        1         1   total  0.000000  0.000000
+8       2  1  1            3        1         1   total  0.000000  0.000000
+9       2  1  1            4        1         1   total  0.000211  0.000211
+10      2  1  1            5        1         1   total  0.000000  0.000000
+11      2  1  1            6        1         1   total  0.000000  0.000000
+18      2  2  1            1        1         1   total  0.000000  0.000000
+19      2  2  1            2        1         1   total  0.000000  0.000000
+20      2  2  1            3        1         1   total  0.000000  0.000000
+21      2  2  1            4        1         1   total  0.000219  0.000219
+22      2  2  1            5        1         1   total  0.000000  0.000000
+23      2  2  1            6        1         1   total  0.000000  0.000000
diff --git a/tests/regression_tests/mgxs_library_correction/results_true.dat b/tests/regression_tests/mgxs_library_correction/results_true.dat
index ff4bd9746..b6aaad044 100644
--- a/tests/regression_tests/mgxs_library_correction/results_true.dat
+++ b/tests/regression_tests/mgxs_library_correction/results_true.dat
@@ -1,60 +1,60 @@
    material  group in  group out nuclide      mean  std. dev.
-3         1         1          1   total  0.342252   0.023795
-2         1         1          2   total  0.000695   0.000327
+3         1         1          1   total  0.353477   0.019952
+2         1         1          2   total  0.000522   0.000349
 1         1         2          1   total  0.000000   0.000000
-0         1         2          2   total  0.388426   0.020840
+0         1         2          2   total  0.414134   0.029955
    material  group in  group out nuclide      mean  std. dev.
-3         1         1          1   total  0.342252   0.023795
-2         1         1          2   total  0.000695   0.000327
+3         1         1          1   total  0.353477   0.019952
+2         1         1          2   total  0.000522   0.000349
 1         1         2          1   total  0.000000   0.000000
-0         1         2          2   total  0.388426   0.020840
+0         1         2          2   total  0.414134   0.029955
    material  group in  group out nuclide      mean  std. dev.
-3         1         1          1   total  0.343021   0.031016
-2         1         1          2   total  0.000697   0.000329
+3         1         1          1   total  0.356124   0.026110
+2         1         1          2   total  0.000526   0.000352
 1         1         2          1   total  0.000000   0.000000
-0         1         2          2   total  0.376544   0.025156
+0         1         2          2   total  0.413622   0.044755
    material  group in  group out nuclide      mean  std. dev.
-3         1         1          1   total  0.343021   0.039761
-2         1         1          2   total  0.000697   0.000566
+3         1         1          1   total  0.356124   0.033873
+2         1         1          2   total  0.000526   0.000608
 1         1         2          1   total  0.000000   0.000000
-0         1         2          2   total  0.376544   0.032140
+0         1         2          2   total  0.413622   0.054899
    material  group in  group out nuclide      mean  std. dev.
-3         2         1          1   total  0.271174   0.022374
+3         2         1          1   total  0.261901   0.016456
 2         2         1          2   total  0.000000   0.000000
 1         2         2          1   total  0.000000   0.000000
-0         2         2          2   total  0.295401   0.032831
+0         2         2          2   total  0.322376   0.044195
    material  group in  group out nuclide      mean  std. dev.
-3         2         1          1   total  0.271174   0.022374
+3         2         1          1   total  0.261901   0.016456
 2         2         1          2   total  0.000000   0.000000
 1         2         2          1   total  0.000000   0.000000
-0         2         2          2   total  0.295401   0.032831
+0         2         2          2   total  0.322376   0.044195
    material  group in  group out nuclide      mean  std. dev.
-3         2         1          1   total  0.264654   0.028288
+3         2         1          1   total  0.266612   0.021169
 2         2         1          2   total  0.000000   0.000000
 1         2         2          1   total  0.000000   0.000000
-0         2         2          2   total  0.295178   0.032530
+0         2         2          2   total  0.321966   0.054140
    material  group in  group out nuclide      mean  std. dev.
-3         2         1          1   total  0.264654   0.036081
+3         2         1          1   total  0.266612   0.025384
 2         2         1          2   total  0.000000   0.000000
 1         2         2          1   total  0.000000   0.000000
-0         2         2          2   total  0.295178   0.044676
+0         2         2          2   total  0.321966   0.068014
    material  group in  group out nuclide      mean  std. dev.
-3         3         1          1   total  0.257831   0.014436
-2         3         1          2   total  0.030826   0.000973
-1         3         2          1   total  0.000467   0.000467
-0         3         2          2   total  1.443057   0.119909
+3         3         1          1   total  0.259426   0.012116
+2         3         1          2   total  0.031650   0.000613
+1         3         2          1   total  0.000474   0.000475
+0         3         2          2   total  1.416407   0.162435
    material  group in  group out nuclide      mean  std. dev.
-3         3         1          1   total  0.257831   0.014436
-2         3         1          2   total  0.030826   0.000973
-1         3         2          1   total  0.000467   0.000467
-0         3         2          2   total  1.443057   0.119909
+3         3         1          1   total  0.259426   0.012116
+2         3         1          2   total  0.031650   0.000613
+1         3         2          1   total  0.000474   0.000475
+0         3         2          2   total  1.416407   0.162435
    material  group in  group out nuclide      mean  std. dev.
-3         3         1          1   total  0.267025   0.029512
-2         3         1          2   total  0.031268   0.001416
-1         3         2          1   total  0.000466   0.000467
-0         3         2          2   total  1.440250   0.164573
+3         3         1          1   total  0.266083   0.024503
+2         3         1          2   total  0.031973   0.001157
+1         3         2          1   total  0.000477   0.000480
+0         3         2          2   total  1.427932   0.269812
    material  group in  group out nuclide      mean  std. dev.
-3         3         1          1   total  0.267025   0.032860
-2         3         1          2   total  0.031268   0.001768
-1         3         2          1   total  0.000466   0.000808
-0         3         2          2   total  1.440250   0.212183
+3         3         1          1   total  0.266083   0.027910
+2         3         1          2   total  0.031973   0.001391
+1         3         2          1   total  0.000477   0.000827
+0         3         2          2   total  1.427932   0.328026
diff --git a/tests/regression_tests/mgxs_library_distribcell/results_true.dat b/tests/regression_tests/mgxs_library_distribcell/results_true.dat
index ef7cb2b96..127df75c1 100644
--- a/tests/regression_tests/mgxs_library_distribcell/results_true.dat
+++ b/tests/regression_tests/mgxs_library_distribcell/results_true.dat
@@ -1,97 +1,97 @@
                                                                                                                                                                                                                                                                                                                                                                                                  sum(distribcell)  group in nuclide      mean  std. dev.
-0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1   total  0.455527   0.009851
+0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1   total  0.459656   0.010039
                                                                                                                                                                                                                                                                                                                                                                                                  sum(distribcell)  group in nuclide      mean  std. dev.
-0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1   total  0.409242   0.011118
-                                                                                                                                                                                                                                                                                                                                                                                                 sum(distribcell)  group in nuclide     mean  std. dev.
-0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1   total  0.40929   0.011119
+0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1   total  0.416327    0.01121
                                                                                                                                                                                                                                                                                                                                                                                                  sum(distribcell)  group in nuclide      mean  std. dev.
-0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1   total  0.066934   0.002424
+0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1   total  0.416327    0.01121
                                                                                                                                                                                                                                                                                                                                                                                                  sum(distribcell)  group in nuclide      mean  std. dev.
-0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1   total  0.066764   0.002423
+0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1   total  0.070545   0.002486
                                                                                                                                                                                                                                                                                                                                                                                                  sum(distribcell)  group in nuclide      mean  std. dev.
-0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1   total  0.028358   0.002669
+0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1   total  0.070348   0.002485
                                                                                                                                                                                                                                                                                                                                                                                                  sum(distribcell)  group in nuclide      mean  std. dev.
-0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1   total  0.038576   0.001526
+0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1   total  0.029374   0.002719
                                                                                                                                                                                                                                                                                                                                                                                                  sum(distribcell)  group in nuclide      mean  std. dev.
-0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1   total  0.094817   0.003725
+0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1   total  0.041172   0.001562
+                                                                                                                                                                                                                                                                                                                                                                                                 sum(distribcell)  group in nuclide      mean  std. dev.
+0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1   total  0.101218   0.003812
                                                                                                                                                                                                                                                                                                                                                                                                  sum(distribcell)  group in nuclide          mean      std. dev.
-0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1   total  7.470225e+06  295170.385185
+0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1   total  7.972654e+06  302079.851251
+                                                                                                                                                                                                                                                                                                                                                                                                 sum(distribcell)  group in nuclide     mean  std. dev.
+0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1   total  0.38911    0.00831
                                                                                                                                                                                                                                                                                                                                                                                                  sum(distribcell)  group in nuclide      mean  std. dev.
-0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1   total  0.388593   0.008156
-                                                                                                                                                                                                                                                                                                                                                                                                 sum(distribcell)  group in nuclide      mean  std. dev.
-0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1   total  0.388874   0.013889
+0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1   total  0.394876   0.014019
                                                                                                                                                                                                                                                                                                                                                                                                  sum(distribcell)  group in  group out legendre nuclide      mean  std. dev.
-0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1          1       P0   total  0.388711   0.013887
-1  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1          1       P1   total  0.046285   0.005155
-2  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1          1       P2   total  0.023632   0.003772
-3  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1          1       P3   total  0.006997   0.003207
+0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1          1       P0   total  0.394876   0.014019
+1  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1          1       P1   total  0.043329   0.004988
+2  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1          1       P2   total  0.027490   0.003974
+3  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1          1       P3   total  0.016004   0.003232
                                                                                                                                                                                                                                                                                                                                                                                                  sum(distribcell)  group in  group out legendre nuclide      mean  std. dev.
-0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1          1       P0   total  0.388874   0.013889
-1  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1          1       P1   total  0.046237   0.005156
-2  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1          1       P2   total  0.023571   0.003775
-3  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1          1       P3   total  0.007058   0.003207
-                                                                                                                                                                                                                                                                                                                                                                                                 sum(distribcell)  group in  group out nuclide      mean  std. dev.
-0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1          1   total  1.000418   0.036246
-                                                                                                                                                                                                                                                                                                                                                                                                 sum(distribcell)  group in  group out nuclide      mean  std. dev.
-0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1          1   total  0.092139   0.005956
+0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1          1       P0   total  0.394876   0.014019
+1  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1          1       P1   total  0.043329   0.004988
+2  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1          1       P2   total  0.027490   0.003974
+3  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1          1       P3   total  0.016004   0.003232
                                                                                                                                                                                                                                                                                                                                                                                                  sum(distribcell)  group in  group out nuclide  mean  std. dev.
-0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1          1   total   1.0   0.036242
-                                                                                                                                                                                                                                                                                                                                                                                                 sum(distribcell)  group in  group out legendre nuclide      mean  std. dev.
-0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1          1       P0   total  0.388593   0.016275
-1  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1          1       P1   total  0.046271   0.005251
-2  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1          1       P2   total  0.023624   0.003806
-3  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1          1       P3   total  0.006995   0.003209
-                                                                                                                                                                                                                                                                                                                                                                                                 sum(distribcell)  group in  group out legendre nuclide      mean  std. dev.
-0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1          1       P0   total  0.388755   0.021528
-1  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1          1       P1   total  0.046290   0.005515
-2  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1          1       P2   total  0.023634   0.003903
-3  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1          1       P3   total  0.006998   0.003221
-                                                                                                                                                                                                                                                                                                                                                                                                 sum(distribcell)  group out nuclide  mean  std. dev.
-0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)          1   total   1.0   0.084366
-                                                                                                                                                                                                                                                                                                                                                                                                 sum(distribcell)  group out nuclide  mean  std. dev.
-0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)          1   total   1.0   0.084331
-                                                                                                                                                                                                                                                                                                                                                                                                 sum(distribcell)  group in nuclide          mean     std. dev.
-0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1   total  5.253873e-07  2.168462e-08
-                                                                                                                                                                                                                                                                                                                                                                                                 sum(distribcell)  group in nuclide      mean  std. dev.
-0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1   total  0.094147   0.003701
+0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1          1   total   1.0   0.036306
                                                                                                                                                                                                                                                                                                                                                                                                  sum(distribcell)  group in  group out nuclide      mean  std. dev.
-0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1          1   total  0.091593   0.005919
+0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1          1   total  0.097856   0.006191
+                                                                                                                                                                                                                                                                                                                                                                                                 sum(distribcell)  group in  group out nuclide  mean  std. dev.
+0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1          1   total   1.0   0.036306
+                                                                                                                                                                                                                                                                                                                                                                                                 sum(distribcell)  group in  group out legendre nuclide      mean  std. dev.
+0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1          1       P0   total  0.389110   0.016390
+1  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1          1       P1   total  0.042696   0.005009
+2  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1          1       P2   total  0.027088   0.003964
+3  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1          1       P3   total  0.015770   0.003204
+                                                                                                                                                                                                                                                                                                                                                                                                 sum(distribcell)  group in  group out legendre nuclide      mean  std. dev.
+0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1          1       P0   total  0.389110   0.021638
+1  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1          1       P1   total  0.042696   0.005244
+2  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1          1       P2   total  0.027088   0.004084
+3  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1          1       P3   total  0.015770   0.003255
+                                                                                                                                                                                                                                                                                                                                                                                                 sum(distribcell)  group out nuclide  mean  std. dev.
+0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)          1   total   1.0   0.082469
+                                                                                                                                                                                                                                                                                                                                                                                                 sum(distribcell)  group out nuclide  mean  std. dev.
+0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)          1   total   1.0   0.082587
+                                                                                                                                                                                                                                                                                                                                                                                                 sum(distribcell)  group in nuclide          mean     std. dev.
+0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1   total  5.626624e-07  2.235532e-08
                                                                                                                                                                                                                                                                                                                                                                                                  sum(distribcell)  group in nuclide      mean  std. dev.
-0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1   total  0.814514   0.022129
+0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1   total  0.100506   0.003787
+                                                                                                                                                                                                                                                                                                                                                                                                 sum(distribcell)  group in  group out nuclide      mean  std. dev.
+0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1          1   total  0.097658   0.006185
                                                                                                                                                                                                                                                                                                                                                                                                  sum(distribcell)  group in nuclide      mean  std. dev.
-0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1   total  0.814419   0.022125
+0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1   total  0.800653   0.021558
+                                                                                                                                                                                                                                                                                                                                                                                                 sum(distribcell)  group in nuclide      mean  std. dev.
+0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)         1   total  0.800653   0.021558
                                                                                                                                                                                                                                                                                                                                                                                                  sum(distribcell)  delayedgroup  group in nuclide      mean     std. dev.
-0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             1         1   total  0.000021  8.473275e-07
-1  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             2         1   total  0.000115  4.405467e-06
-2  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             3         1   total  0.000112  4.225826e-06
-3  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             4         1   total  0.000259  9.559952e-06
-4  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             5         1   total  0.000115  4.025369e-06
-5  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             6         1   total  0.000048  1.682226e-06
+0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             1         1   total  0.000023  8.667436e-07
+1  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             2         1   total  0.000122  4.499059e-06
+2  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             3         1   total  0.000119  4.311220e-06
+3  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             4         1   total  0.000275  9.735290e-06
+4  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             5         1   total  0.000122  4.078954e-06
+5  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             6         1   total  0.000051  1.705327e-06
                                                                                                                                                                                                                                                                                                                                                                                                  sum(distribcell)  delayedgroup  group out nuclide  mean  std. dev.
 0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             1          1   total   0.0   0.000000
-1  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             2          1   total   0.0   0.000000
-2  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             3          1   total   1.0   1.000002
-3  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             4          1   total   1.0   1.414214
+1  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             2          1   total   1.0   1.414214
+2  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             3          1   total   0.0   0.000000
+3  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             4          1   total   0.0   0.000000
 4  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             5          1   total   0.0   0.000000
 5  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             6          1   total   0.0   0.000000
                                                                                                                                                                                                                                                                                                                                                                                                  sum(distribcell)  delayedgroup  group in nuclide      mean  std. dev.
-0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             1         1   total  0.000227   0.000012
-1  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             2         1   total  0.001210   0.000062
-2  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             3         1   total  0.001177   0.000060
-3  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             4         1   total  0.002728   0.000136
-4  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             5         1   total  0.001211   0.000059
-5  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             6         1   total  0.000504   0.000025
+0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             1         1   total  0.000227   0.000011
+1  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             2         1   total  0.001208   0.000059
+2  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             3         1   total  0.001175   0.000056
+3  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             4         1   total  0.002721   0.000129
+4  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             5         1   total  0.001206   0.000055
+5  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             6         1   total  0.000502   0.000023
                                                                                                                                                                                                                                                                                                                                                                                                  sum(distribcell)  delayedgroup nuclide      mean  std. dev.
-0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             1   total  0.013353   0.000692
-1  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             2   total  0.032613   0.001644
-2  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             3   total  0.121054   0.005983
-3  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             4   total  0.305630   0.014645
-4  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             5   total  0.860903   0.038693
-5  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             6   total  2.891558   0.130564
+0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             1   total  0.013353   0.000658
+1  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             2   total  0.032616   0.001562
+2  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             3   total  0.121048   0.005678
+3  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             4   total  0.305568   0.013868
+4  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             5   total  0.860675   0.036434
+5  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             6   total  2.890786   0.122997
                                                                                                                                                                                                                                                                                                                                                                                                  sum(distribcell)  delayedgroup  group in  group out nuclide      mean  std. dev.
 0  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             1         1          1   total  0.000000   0.000000
-1  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             2         1          1   total  0.000000   0.000000
-2  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             3         1          1   total  0.000362   0.000256
-3  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             4         1          1   total  0.000185   0.000185
+1  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             2         1          1   total  0.000198   0.000198
+2  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             3         1          1   total  0.000000   0.000000
+3  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             4         1          1   total  0.000000   0.000000
 4  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             5         1          1   total  0.000000   0.000000
 5  ((0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, ...),)             6         1          1   total  0.000000   0.000000
diff --git a/tests/regression_tests/mgxs_library_hdf5/results_true.dat b/tests/regression_tests/mgxs_library_hdf5/results_true.dat
index b2ef8eae9..14d7371fe 100644
--- a/tests/regression_tests/mgxs_library_hdf5/results_true.dat
+++ b/tests/regression_tests/mgxs_library_hdf5/results_true.dat
@@ -1,201 +1,201 @@
 domain=1 type=total
-[5.52629207e-01 1.46792426e+00]
-[2.73983948e-02 9.30468557e-02]
+[5.66580451e-01 1.44262943e+00]
+[1.96770003e-02 1.46112369e-01]
 domain=1 type=transport
-[3.09650231e-01 1.14528468e+00]
-[2.96126059e-02 1.01957125e-01]
+[3.14856281e-01 1.05346368e+00]
+[2.15203447e-02 1.60562179e-01]
 domain=1 type=nu-transport
-[3.09650231e-01 1.14528468e+00]
-[2.96126059e-02 1.01957125e-01]
+[3.14856281e-01 1.05346368e+00]
+[2.15203447e-02 1.60562179e-01]
 domain=1 type=absorption
-[7.90251362e-03 9.52195503e-02]
-[7.77996866e-04 5.32017792e-03]
+[8.63921263e-03 9.70718967e-02]
+[7.09849180e-04 9.96697703e-03]
 domain=1 type=reduced absorption
-[7.88836875e-03 9.52195503e-02]
-[7.77877367e-04 5.32017792e-03]
+[8.63459183e-03 9.70718967e-02]
+[7.09826160e-04 9.96697703e-03]
 domain=1 type=capture
-[5.66271991e-03 4.03380329e-02]
-[7.65494411e-04 4.41129849e-03]
+[6.29732743e-03 4.01344183e-02]
+[7.03181817e-04 9.43458504e-03]
 domain=1 type=fission
-[2.23979371e-03 5.48815174e-02]
-[1.44808204e-04 3.21965557e-03]
+[2.34188519e-03 5.69374784e-02]
+[1.04006997e-04 6.19904834e-03]
 domain=1 type=nu-fission
-[5.70078167e-03 1.33729794e-01]
-[3.71908758e-04 7.84533474e-03]
+[5.93985124e-03 1.38739554e-01]
+[2.57215008e-04 1.51052211e-02]
 domain=1 type=kappa-fission
-[4.36283087e+05 1.06143820e+07]
-[2.81939099e+04 6.22698786e+05]
+[4.55876276e+05 1.10120160e+07]
+[2.00450394e+04 1.19892945e+06]
 domain=1 type=scatter
-[5.44726693e-01 1.37270471e+00]
-[2.67443307e-02 8.86578418e-02]
+[5.57941239e-01 1.34555753e+00]
+[1.96103602e-02 1.38008873e-01]
 domain=1 type=nu-scatter
-[5.46058885e-01 1.38608802e+00]
-[2.72733439e-02 9.59957737e-02]
+[5.53883536e-01 1.40126963e+00]
+[1.89917740e-02 1.62647765e-01]
 domain=1 type=scatter matrix
-[[[5.25081070e-01 2.42978975e-01 9.65459393e-02 8.62265123e-03]
-  [2.09778151e-02 5.67750504e-03 -1.86093418e-03 -1.63034937e-03]]
+[[[5.35878034e-01 2.51724170e-01 1.01011269e-01 1.03439439e-02]
+  [1.80055019e-02 5.80562809e-03 -1.57470166e-03 -2.27320020e-03]]
 
  [[0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00]
-  [1.38608802e+00 2.92665071e-01 4.65545679e-02 3.43129413e-03]]]
-[[[2.68584158e-02 1.12354079e-02 5.95151250e-03 5.08213314e-03]
-  [1.69810442e-03 1.03379654e-03 3.35798077e-04 8.28775769e-04]]
+  [1.40126963e+00 3.55339640e-01 7.06453615e-02 4.04065595e-02]]]
+[[[1.86010787e-02 8.71440749e-03 3.01351835e-03 5.22968320e-03]
+  [1.36795874e-03 6.67372701e-04 3.26122899e-04 8.68935369e-04]]
 
  [[0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00]
-  [9.59957737e-02 3.98634629e-02 1.79245433e-02 2.53788407e-02]]]
+  [1.62647765e-01 6.23420543e-02 9.61788834e-03 8.80966610e-03]]]
 domain=1 type=nu-scatter matrix
-[[[5.25081070e-01 2.42978975e-01 9.65459393e-02 8.62265123e-03]
-  [2.09778151e-02 5.67750504e-03 -1.86093418e-03 -1.63034937e-03]]
+[[[5.35878034e-01 2.51724170e-01 1.01011269e-01 1.03439439e-02]
+  [1.80055019e-02 5.80562809e-03 -1.57470166e-03 -2.27320020e-03]]
 
  [[0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00]
-  [1.38608802e+00 2.92665071e-01 4.65545679e-02 3.43129413e-03]]]
-[[[2.68584158e-02 1.12354079e-02 5.95151250e-03 5.08213314e-03]
-  [1.69810442e-03 1.03379654e-03 3.35798077e-04 8.28775769e-04]]
+  [1.40126963e+00 3.55339640e-01 7.06453615e-02 4.04065595e-02]]]
+[[[1.86010787e-02 8.71440749e-03 3.01351835e-03 5.22968320e-03]
+  [1.36795874e-03 6.67372701e-04 3.26122899e-04 8.68935369e-04]]
 
  [[0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00]
-  [9.59957737e-02 3.98634629e-02 1.79245433e-02 2.53788407e-02]]]
+  [1.62647765e-01 6.23420543e-02 9.61788834e-03 8.80966610e-03]]]
 domain=1 type=multiplicity matrix
 [[1.00000000e+00 1.00000000e+00]
  [0.00000000e+00 1.00000000e+00]]
-[[4.49973217e-02 9.94834121e-02]
- [0.00000000e+00 8.90267353e-02]]
+[[3.27047397e-02 1.01015254e-01]
+ [0.00000000e+00 1.16966513e-01]]
 domain=1 type=nu-fission matrix
-[[6.79725552e-03 0.00000000e+00]
- [1.34226308e-01 0.00000000e+00]]
-[[1.39232734e-03 0.00000000e+00]
- [1.55126210e-02 0.00000000e+00]]
+[[7.11392182e-03 0.00000000e+00]
+ [1.52683850e-01 0.00000000e+00]]
+[[1.05605314e-03 0.00000000e+00]
+ [2.58713491e-02 0.00000000e+00]]
 domain=1 type=scatter probability matrix
-[[9.61583236e-01 3.84167637e-02]
+[[9.67492260e-01 3.25077399e-02]
  [0.00000000e+00 1.00000000e+00]]
-[[4.25251594e-02 2.94881301e-03]
- [0.00000000e+00 8.90267353e-02]]
+[[3.12124830e-02 2.43439942e-03]
+ [0.00000000e+00 1.16966513e-01]]
 domain=1 type=consistent scatter matrix
-[[[5.23800056e-01 2.42386192e-01 9.63104011e-02 8.60161499e-03]
-  [2.09266366e-02 5.66365392e-03 -1.85639416e-03 -1.62637189e-03]]
+[[[5.39803830e-01 2.53568280e-01 1.01751269e-01 1.04197228e-02]
+  [1.81374087e-02 5.84815962e-03 -1.58623779e-03 -2.28985347e-03]]
 
  [[0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00]
-  [1.37270471e+00 2.89839256e-01 4.61050623e-02 3.39816342e-03]]]
-[[[3.46115177e-02 1.51137129e-02 7.17487890e-03 5.08248710e-03]
-  [1.90677851e-03 1.05813829e-03 3.43862086e-04 8.29548315e-04]]
+  [1.34555753e+00 3.41211940e-01 6.78366221e-02 3.88000634e-02]]]
+[[[2.57534994e-02 1.20804286e-02 4.50621873e-03 5.27902298e-03]
+  [1.50041314e-03 6.98980912e-04 3.32589287e-04 8.78503928e-04]]
 
  [[0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00]
-  [1.50979688e-01 4.66032426e-02 1.81833349e-02 2.51354735e-02]]]
+  [2.09324012e-01 6.95175402e-02 1.16044952e-02 9.36549883e-03]]]
 domain=1 type=consistent nu-scatter matrix
-[[[5.23800056e-01 2.42386192e-01 9.63104011e-02 8.60161499e-03]
-  [2.09266366e-02 5.66365392e-03 -1.85639416e-03 -1.62637189e-03]]
+[[[5.39803830e-01 2.53568280e-01 1.01751269e-01 1.04197228e-02]
+  [1.81374087e-02 5.84815962e-03 -1.58623779e-03 -2.28985347e-03]]
 
  [[0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00]
-  [1.37270471e+00 2.89839256e-01 4.61050623e-02 3.39816342e-03]]]
-[[[4.18746126e-02 1.86381616e-02 8.38211969e-03 5.09720340e-03]
-  [2.82310416e-03 1.19879975e-03 3.90317811e-04 8.45179676e-04]]
+  [1.34555753e+00 3.41211940e-01 6.78366221e-02 3.88000634e-02]]]
+[[[3.12235732e-02 1.46529414e-02 5.60177820e-03 5.29001047e-03]
+  [2.36812824e-03 9.15185125e-04 3.69175618e-04 9.08445666e-04]]
 
  [[0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00]
-  [1.94240879e-01 5.32698778e-02 1.86408495e-02 2.51372940e-02]]]
+  [2.61890501e-01 8.01593794e-02 1.40578233e-02 1.04071518e-02]]]
 domain=1 type=chi
 [1.00000000e+00 0.00000000e+00]
-[1.03333203e-01 0.00000000e+00]
+[1.42429813e-01 0.00000000e+00]
 domain=1 type=chi-prompt
 [1.00000000e+00 0.00000000e+00]
-[1.03333203e-01 0.00000000e+00]
+[1.43958515e-01 0.00000000e+00]
 domain=1 type=inverse-velocity
-[5.72461488e-08 3.00999757e-06]
-[2.80644407e-09 1.80993426e-07]
+[6.05275939e-08 2.92408191e-06]
+[4.98534008e-09 2.95326306e-07]
 domain=1 type=prompt-nu-fission
-[5.64594959e-03 1.32859920e-01]
-[3.68364598e-04 7.79430310e-03]
+[5.88433433e-03 1.37837093e-01]
+[2.56012352e-04 1.50069660e-02]
 domain=1 type=prompt-nu-fission matrix
-[[6.79725552e-03 0.00000000e+00]
- [1.34226308e-01 0.00000000e+00]]
-[[1.39232734e-03 0.00000000e+00]
- [1.55126210e-02 0.00000000e+00]]
+[[7.11392182e-03 0.00000000e+00]
+ [1.51190909e-01 0.00000000e+00]]
+[[1.05605314e-03 0.00000000e+00]
+ [2.57973847e-02 0.00000000e+00]]
 domain=1 type=current
-[[[0.00000000e+00 0.00000000e+00 3.54200000e+00 3.59000000e+00
-   0.00000000e+00 0.00000000e+00 3.73400000e+00 3.69000000e+00]
-  [0.00000000e+00 0.00000000e+00 7.08000000e-01 6.90000000e-01
-   0.00000000e+00 0.00000000e+00 6.78000000e-01 6.74000000e-01]]
+[[[0.00000000e+00 0.00000000e+00 3.71800000e+00 3.58600000e+00
+   0.00000000e+00 0.00000000e+00 3.62200000e+00 3.71800000e+00]
+  [0.00000000e+00 0.00000000e+00 6.60000000e-01 6.58000000e-01
+   0.00000000e+00 0.00000000e+00 6.62000000e-01 6.70000000e-01]]
 
- [[3.59000000e+00 3.54200000e+00 0.00000000e+00 0.00000000e+00
-   0.00000000e+00 0.00000000e+00 3.65200000e+00 3.73800000e+00]
-  [6.90000000e-01 7.08000000e-01 0.00000000e+00 0.00000000e+00
-   0.00000000e+00 0.00000000e+00 6.94000000e-01 6.64000000e-01]]
+ [[3.58600000e+00 3.71800000e+00 0.00000000e+00 0.00000000e+00
+   0.00000000e+00 0.00000000e+00 3.71200000e+00 3.60600000e+00]
+  [6.58000000e-01 6.60000000e-01 0.00000000e+00 0.00000000e+00
+   0.00000000e+00 0.00000000e+00 7.04000000e-01 6.74000000e-01]]
 
- [[0.00000000e+00 0.00000000e+00 3.76000000e+00 3.66600000e+00
-   3.69000000e+00 3.73400000e+00 0.00000000e+00 0.00000000e+00]
-  [0.00000000e+00 0.00000000e+00 6.68000000e-01 7.22000000e-01
-   6.74000000e-01 6.78000000e-01 0.00000000e+00 0.00000000e+00]]
+ [[0.00000000e+00 0.00000000e+00 3.48600000e+00 3.60600000e+00
+   3.71800000e+00 3.62200000e+00 0.00000000e+00 0.00000000e+00]
+  [0.00000000e+00 0.00000000e+00 6.66000000e-01 6.74000000e-01
+   6.70000000e-01 6.62000000e-01 0.00000000e+00 0.00000000e+00]]
 
- [[3.66600000e+00 3.76000000e+00 0.00000000e+00 0.00000000e+00
-   3.73800000e+00 3.65200000e+00 0.00000000e+00 0.00000000e+00]
-  [7.22000000e-01 6.68000000e-01 0.00000000e+00 0.00000000e+00
-   6.64000000e-01 6.94000000e-01 0.00000000e+00 0.00000000e+00]]]
-[[[0.00000000e+00 0.00000000e+00 1.04230514e-01 1.61183126e-01
-   0.00000000e+00 0.00000000e+00 1.50419414e-01 1.00498756e-01]
-  [0.00000000e+00 0.00000000e+00 2.47790234e-02 3.27108545e-02
-   0.00000000e+00 0.00000000e+00 4.84148737e-02 3.24961536e-02]]
+ [[3.60600000e+00 3.48600000e+00 0.00000000e+00 0.00000000e+00
+   3.60600000e+00 3.71200000e+00 0.00000000e+00 0.00000000e+00]
+  [6.74000000e-01 6.66000000e-01 0.00000000e+00 0.00000000e+00
+   6.74000000e-01 7.04000000e-01 0.00000000e+00 0.00000000e+00]]]
+[[[0.00000000e+00 0.00000000e+00 9.96192752e-02 8.73269718e-02
+   0.00000000e+00 0.00000000e+00 1.22531629e-01 1.08369737e-01]
+  [0.00000000e+00 0.00000000e+00 3.96232255e-02 4.06693988e-02
+   0.00000000e+00 0.00000000e+00 4.05462699e-02 4.27784993e-02]]
 
- [[1.61183126e-01 1.04230514e-01 0.00000000e+00 0.00000000e+00
-   0.00000000e+00 0.00000000e+00 1.44201248e-01 1.81229137e-01]
-  [3.27108545e-02 2.47790234e-02 0.00000000e+00 0.00000000e+00
-   0.00000000e+00 0.00000000e+00 3.41467422e-02 2.20454077e-02]]
+ [[8.73269718e-02 9.96192752e-02 0.00000000e+00 0.00000000e+00
+   0.00000000e+00 0.00000000e+00 7.09506871e-02 5.27825729e-02]
+  [4.06693988e-02 3.96232255e-02 0.00000000e+00 0.00000000e+00
+   0.00000000e+00 0.00000000e+00 6.11228272e-02 5.88727441e-02]]
 
- [[0.00000000e+00 0.00000000e+00 1.39355660e-01 9.70875893e-02
-   1.00498756e-01 1.50419414e-01 0.00000000e+00 0.00000000e+00]
-  [0.00000000e+00 0.00000000e+00 1.56204994e-02 3.27719392e-02
-   3.24961536e-02 4.84148737e-02 0.00000000e+00 0.00000000e+00]]
+ [[0.00000000e+00 0.00000000e+00 1.00279609e-01 1.31209756e-01
+   1.08369737e-01 1.22531629e-01 0.00000000e+00 0.00000000e+00]
+  [0.00000000e+00 0.00000000e+00 6.05475020e-02 4.87442304e-02
+   4.27784993e-02 4.05462699e-02 0.00000000e+00 0.00000000e+00]]
 
- [[9.70875893e-02 1.39355660e-01 0.00000000e+00 0.00000000e+00
-   1.81229137e-01 1.44201248e-01 0.00000000e+00 0.00000000e+00]
-  [3.27719392e-02 1.56204994e-02 0.00000000e+00 0.00000000e+00
-   2.20454077e-02 3.41467422e-02 0.00000000e+00 0.00000000e+00]]]
+ [[1.31209756e-01 1.00279609e-01 0.00000000e+00 0.00000000e+00
+   5.27825729e-02 7.09506871e-02 0.00000000e+00 0.00000000e+00]
+  [4.87442304e-02 6.05475020e-02 0.00000000e+00 0.00000000e+00
+   5.88727441e-02 6.11228272e-02 0.00000000e+00 0.00000000e+00]]]
 domain=1 type=diffusion-coefficient
-[1.07648340e+00 2.91048451e-01]
-[1.02946730e-01 2.59101197e-02]
+[1.05868408e+00 3.16416542e-01]
+[7.23607812e-02 4.82261806e-02]
 domain=1 type=nu-diffusion-coefficient
-[1.07648340e+00 2.91048451e-01]
-[1.02946730e-01 2.59101197e-02]
+[1.05868408e+00 3.16416542e-01]
+[7.23607812e-02 4.82261806e-02]
 domain=1 type=delayed-nu-fission
-[[1.27862358e-06 3.04521075e-05]
- [7.84219053e-06 1.57184471e-04]
- [8.19703020e-06 1.50062017e-04]
- [2.11585246e-05 3.36451683e-04]
- [1.15983232e-05 1.37940708e-04]
- [4.75823112e-06 5.77828684e-05]]
-[[8.24665595e-08 1.78649023e-06]
- [5.11270396e-07 9.22131636e-06]
- [5.43215007e-07 8.80347339e-06]
- [1.44919046e-06 1.97381285e-05]
- [8.56858673e-07 8.09236929e-06]
- [3.49663884e-07 3.38986452e-06]]
+[[1.33370452e-06 3.15928985e-05]
+ [8.06563789e-06 1.63072885e-04]
+ [8.37555675e-06 1.55683610e-04]
+ [2.14225848e-05 3.49055766e-04]
+ [1.15633419e-05 1.43108212e-04]
+ [4.74849054e-06 5.99475175e-05]]
+[[5.58190638e-08 3.43966581e-06]
+ [2.80924725e-07 1.77545031e-05]
+ [2.81900859e-07 1.69499982e-05]
+ [7.44207592e-07 3.80033227e-05]
+ [4.95821820e-07 1.55808550e-05]
+ [2.00315983e-07 6.52676436e-06]]
 domain=1 type=chi-delayed
 [[0.00000000e+00 0.00000000e+00]
  [0.00000000e+00 0.00000000e+00]
  [0.00000000e+00 0.00000000e+00]
- [0.00000000e+00 0.00000000e+00]
+ [1.00000000e+00 0.00000000e+00]
  [0.00000000e+00 0.00000000e+00]
  [0.00000000e+00 0.00000000e+00]]
 [[0.00000000e+00 0.00000000e+00]
  [0.00000000e+00 0.00000000e+00]
  [0.00000000e+00 0.00000000e+00]
- [0.00000000e+00 0.00000000e+00]
+ [1.41421356e+00 0.00000000e+00]
  [0.00000000e+00 0.00000000e+00]
  [0.00000000e+00 0.00000000e+00]]
 domain=1 type=beta
-[[2.24289169e-04 2.27713711e-04]
- [1.37563425e-03 1.17538857e-03]
- [1.43787829e-03 1.12212853e-03]
- [3.71151288e-03 2.51590669e-03]
- [2.03451453e-03 1.03148823e-03]
- [8.34662928e-04 4.32086724e-04]]
-[[1.75760869e-05 1.28957660e-05]
- [1.08591736e-04 6.65640010e-05]
- [1.14785004e-04 6.35478047e-05]
- [3.03169937e-04 1.42479528e-04]
- [1.75476030e-04 5.84147049e-05]
- [7.17094876e-05 2.44697107e-05]]
+[[2.24535003e-04 2.27713710e-04]
+ [1.35788550e-03 1.17538857e-03]
+ [1.41006170e-03 1.12212852e-03]
+ [3.60658609e-03 2.51590665e-03]
+ [1.94673931e-03 1.03148820e-03]
+ [7.99429201e-04 4.32086711e-04]]
+[[1.15072629e-05 2.77827007e-05]
+ [6.20475481e-05 1.43405806e-04]
+ [6.31808205e-05 1.36907698e-04]
+ [1.64551758e-04 3.06958585e-04]
+ [1.01406915e-04 1.25848924e-04]
+ [4.11875799e-05 5.27176635e-05]]
 domain=1 type=decay-rate
-[1.33535692e-02 3.26115957e-02 1.21057117e-01 3.05655911e-01
- 8.60999995e-01 2.89188863e+00]
-[6.74373067e-04 1.71978136e-03 6.57917554e-03 1.73982053e-02
- 5.37683207e-02 1.79407115e-01]
+[1.33525569e-02 3.26187089e-02 1.21041926e-01 3.05503129e-01
+ 8.60433350e-01 2.88996258e+00]
+[1.34484408e-03 3.11955840e-03 1.11418058e-02 2.64184722e-02
+ 6.46651447e-02 2.19526509e-01]
 domain=1 type=delayed-nu-fission matrix
 [[[0.00000000e+00 0.00000000e+00]
   [0.00000000e+00 0.00000000e+00]]
@@ -207,7 +207,7 @@ domain=1 type=delayed-nu-fission matrix
   [0.00000000e+00 0.00000000e+00]]
 
  [[0.00000000e+00 0.00000000e+00]
-  [0.00000000e+00 0.00000000e+00]]
+  [1.49294023e-03 0.00000000e+00]]
 
  [[0.00000000e+00 0.00000000e+00]
   [0.00000000e+00 0.00000000e+00]]
@@ -224,7 +224,7 @@ domain=1 type=delayed-nu-fission matrix
   [0.00000000e+00 0.00000000e+00]]
 
  [[0.00000000e+00 0.00000000e+00]
-  [0.00000000e+00 0.00000000e+00]]
+  [1.49788268e-03 0.00000000e+00]]
 
  [[0.00000000e+00 0.00000000e+00]
   [0.00000000e+00 0.00000000e+00]]
diff --git a/tests/regression_tests/mgxs_library_histogram/results_true.dat b/tests/regression_tests/mgxs_library_histogram/results_true.dat
index 2fa94cef5..f927d057e 100644
--- a/tests/regression_tests/mgxs_library_histogram/results_true.dat
+++ b/tests/regression_tests/mgxs_library_histogram/results_true.dat
@@ -1,18 +1,18 @@
     material  group in  group out  mu bin nuclide      mean  std. dev.
-33         1         1          1       1   total  0.032861   0.003703
-34         1         1          1       2   total  0.026428   0.003637
-35         1         1          1       3   total  0.029210   0.001648
-36         1         1          1       4   total  0.032513   0.004770
-37         1         1          1       5   total  0.030949   0.003129
-38         1         1          1       6   total  0.027124   0.004029
-39         1         1          1       7   total  0.030079   0.002186
-40         1         1          1       8   total  0.037034   0.002198
-41         1         1          1       9   total  0.038251   0.003825
-42         1         1          1      10   total  0.039294   0.003626
-43         1         1          1      11   total  0.062593   0.005934
-22         1         1          2       1   total  0.000000   0.000000
-23         1         1          2       2   total  0.000174   0.000174
-24         1         1          2       3   total  0.000348   0.000213
+33         1         1          1       1   total  0.029945   0.003043
+34         1         1          1       2   total  0.028378   0.003793
+35         1         1          1       3   total  0.033079   0.002866
+36         1         1          1       4   total  0.030119   0.002259
+37         1         1          1       5   total  0.033601   0.003739
+38         1         1          1       6   total  0.035516   0.001929
+39         1         1          1       7   total  0.032382   0.001744
+40         1         1          1       8   total  0.031860   0.002565
+41         1         1          1       9   total  0.038302   0.004757
+42         1         1          1      10   total  0.041784   0.003047
+43         1         1          1      11   total  0.057453   0.003686
+22         1         1          2       1   total  0.000174   0.000174
+23         1         1          2       2   total  0.000000   0.000000
+24         1         1          2       3   total  0.000174   0.000174
 25         1         1          2       4   total  0.000174   0.000174
 26         1         1          2       5   total  0.000000   0.000000
 27         1         1          2       6   total  0.000000   0.000000
@@ -32,32 +32,32 @@
 19         1         2          1       9   total  0.000000   0.000000
 20         1         2          1      10   total  0.000000   0.000000
 21         1         2          1      11   total  0.000000   0.000000
-0          1         2          2       1   total  0.032383   0.006826
-1          1         2          2       2   total  0.037146   0.001158
-2          1         2          2       3   total  0.036193   0.004463
-3          1         2          2       4   total  0.036193   0.007028
-4          1         2          2       5   total  0.038098   0.006769
-5          1         2          2       6   total  0.024764   0.004638
-6          1         2          2       7   total  0.034288   0.008049
-7          1         2          2       8   total  0.040003   0.007350
-8          1         2          2       9   total  0.032383   0.003211
-9          1         2          2      10   total  0.050480   0.005824
-10         1         2          2      11   total  0.045718   0.013291
+0          1         2          2       1   total  0.037212   0.004892
+1          1         2          2       2   total  0.039224   0.003682
+2          1         2          2       3   total  0.044253   0.005869
+3          1         2          2       4   total  0.043247   0.004970
+4          1         2          2       5   total  0.025144   0.006632
+5          1         2          2       6   total  0.037212   0.009199
+6          1         2          2       7   total  0.035201   0.008964
+7          1         2          2       8   total  0.041235   0.009733
+8          1         2          2       9   total  0.032184   0.002384
+9          1         2          2      10   total  0.026149   0.006714
+10         1         2          2      11   total  0.035201   0.008073
     material  group in  group out  mu bin nuclide      mean  std. dev.
-33         1         1          1       1   total  0.032861   0.003703
-34         1         1          1       2   total  0.026428   0.003637
-35         1         1          1       3   total  0.029210   0.001648
-36         1         1          1       4   total  0.032513   0.004770
-37         1         1          1       5   total  0.030949   0.003129
-38         1         1          1       6   total  0.027124   0.004029
-39         1         1          1       7   total  0.030079   0.002186
-40         1         1          1       8   total  0.037034   0.002198
-41         1         1          1       9   total  0.038251   0.003825
-42         1         1          1      10   total  0.039294   0.003626
-43         1         1          1      11   total  0.062593   0.005934
-22         1         1          2       1   total  0.000000   0.000000
-23         1         1          2       2   total  0.000174   0.000174
-24         1         1          2       3   total  0.000348   0.000213
+33         1         1          1       1   total  0.029945   0.003043
+34         1         1          1       2   total  0.028378   0.003793
+35         1         1          1       3   total  0.033079   0.002866
+36         1         1          1       4   total  0.030119   0.002259
+37         1         1          1       5   total  0.033601   0.003739
+38         1         1          1       6   total  0.035516   0.001929
+39         1         1          1       7   total  0.032382   0.001744
+40         1         1          1       8   total  0.031860   0.002565
+41         1         1          1       9   total  0.038302   0.004757
+42         1         1          1      10   total  0.041784   0.003047
+43         1         1          1      11   total  0.057453   0.003686
+22         1         1          2       1   total  0.000174   0.000174
+23         1         1          2       2   total  0.000000   0.000000
+24         1         1          2       3   total  0.000174   0.000174
 25         1         1          2       4   total  0.000174   0.000174
 26         1         1          2       5   total  0.000000   0.000000
 27         1         1          2       6   total  0.000000   0.000000
@@ -77,33 +77,33 @@
 19         1         2          1       9   total  0.000000   0.000000
 20         1         2          1      10   total  0.000000   0.000000
 21         1         2          1      11   total  0.000000   0.000000
-0          1         2          2       1   total  0.032383   0.006826
-1          1         2          2       2   total  0.037146   0.001158
-2          1         2          2       3   total  0.036193   0.004463
-3          1         2          2       4   total  0.036193   0.007028
-4          1         2          2       5   total  0.038098   0.006769
-5          1         2          2       6   total  0.024764   0.004638
-6          1         2          2       7   total  0.034288   0.008049
-7          1         2          2       8   total  0.040003   0.007350
-8          1         2          2       9   total  0.032383   0.003211
-9          1         2          2      10   total  0.050480   0.005824
-10         1         2          2      11   total  0.045718   0.013291
+0          1         2          2       1   total  0.037212   0.004892
+1          1         2          2       2   total  0.039224   0.003682
+2          1         2          2       3   total  0.044253   0.005869
+3          1         2          2       4   total  0.043247   0.004970
+4          1         2          2       5   total  0.025144   0.006632
+5          1         2          2       6   total  0.037212   0.009199
+6          1         2          2       7   total  0.035201   0.008964
+7          1         2          2       8   total  0.041235   0.009733
+8          1         2          2       9   total  0.032184   0.002384
+9          1         2          2      10   total  0.026149   0.006714
+10         1         2          2      11   total  0.035201   0.008073
     material  group in  group out  mu bin nuclide      mean  std. dev.
-33         1         1          1       1   total  0.032927   0.003848
-34         1         1          1       2   total  0.026481   0.003736
-35         1         1          1       3   total  0.029268   0.001884
-36         1         1          1       4   total  0.032578   0.004885
-37         1         1          1       5   total  0.031010   0.003280
-38         1         1          1       6   total  0.027177   0.004124
-39         1         1          1       7   total  0.030139   0.002382
-40         1         1          1       8   total  0.037108   0.002485
-41         1         1          1       9   total  0.038327   0.004013
-42         1         1          1      10   total  0.039372   0.003833
-43         1         1          1      11   total  0.062717   0.006256
-22         1         1          2       1   total  0.000000   0.000000
-23         1         1          2       2   total  0.000174   0.000174
-24         1         1          2       3   total  0.000348   0.000214
-25         1         1          2       4   total  0.000174   0.000174
+33         1         1          1       1   total  0.030147   0.003165
+34         1         1          1       2   total  0.028570   0.003893
+35         1         1          1       3   total  0.033302   0.003016
+36         1         1          1       4   total  0.030322   0.002411
+37         1         1          1       5   total  0.033828   0.003868
+38         1         1          1       6   total  0.035756   0.002159
+39         1         1          1       7   total  0.032601   0.001955
+40         1         1          1       8   total  0.032075   0.002718
+41         1         1          1       9   total  0.038560   0.004896
+42         1         1          1      10   total  0.042066   0.003262
+43         1         1          1      11   total  0.057840   0.004013
+22         1         1          2       1   total  0.000175   0.000175
+23         1         1          2       2   total  0.000000   0.000000
+24         1         1          2       3   total  0.000175   0.000175
+25         1         1          2       4   total  0.000175   0.000175
 26         1         1          2       5   total  0.000000   0.000000
 27         1         1          2       6   total  0.000000   0.000000
 28         1         1          2       7   total  0.000000   0.000000
@@ -122,33 +122,33 @@
 19         1         2          1       9   total  0.000000   0.000000
 20         1         2          1      10   total  0.000000   0.000000
 21         1         2          1      11   total  0.000000   0.000000
-0          1         2          2       1   total  0.031440   0.006860
-1          1         2          2       2   total  0.036063   0.002322
-2          1         2          2       3   total  0.035138   0.004763
-3          1         2          2       4   total  0.035138   0.007105
-4          1         2          2       5   total  0.036988   0.006894
-5          1         2          2       6   total  0.024042   0.004702
-6          1         2          2       7   total  0.033289   0.008036
-7          1         2          2       8   total  0.038837   0.007464
-8          1         2          2       9   total  0.031440   0.003585
-9          1         2          2      10   total  0.049009   0.006292
-10         1         2          2      11   total  0.044385   0.013144
+0          1         2          2       1   total  0.037164   0.005797
+1          1         2          2       2   total  0.039173   0.004933
+2          1         2          2       3   total  0.044195   0.006937
+3          1         2          2       4   total  0.043191   0.006147
+4          1         2          2       5   total  0.025111   0.006951
+5          1         2          2       6   total  0.037164   0.009702
+6          1         2          2       7   total  0.035155   0.009426
+7          1         2          2       8   total  0.041182   0.010317
+8          1         2          2       9   total  0.032142   0.003598
+9          1         2          2      10   total  0.026115   0.007055
+10         1         2          2      11   total  0.035155   0.008586
     material  group in  group out  mu bin nuclide      mean  std. dev.
-33         1         1          1       1   total  0.032927   0.004236
-34         1         1          1       2   total  0.026481   0.003998
-35         1         1          1       3   total  0.029268   0.002455
-36         1         1          1       4   total  0.032578   0.005190
-37         1         1          1       5   total  0.031010   0.003679
-38         1         1          1       6   total  0.027177   0.004376
-39         1         1          1       7   total  0.030139   0.002881
-40         1         1          1       8   total  0.037108   0.003187
-41         1         1          1       9   total  0.038327   0.004511
-42         1         1          1      10   total  0.039372   0.004379
-43         1         1          1      11   total  0.062717   0.007108
-22         1         1          2       1   total  0.000000   0.000000
-23         1         1          2       2   total  0.000174   0.000209
-24         1         1          2       3   total  0.000348   0.000315
-25         1         1          2       4   total  0.000174   0.000209
+33         1         1          1       1   total  0.030147   0.003454
+34         1         1          1       2   total  0.028570   0.004107
+35         1         1          1       3   total  0.033302   0.003381
+36         1         1          1       4   total  0.030322   0.002783
+37         1         1          1       5   total  0.033828   0.004168
+38         1         1          1       6   total  0.035756   0.002711
+39         1         1          1       7   total  0.032601   0.002461
+40         1         1          1       8   total  0.032075   0.003090
+41         1         1          1       9   total  0.038560   0.005205
+42         1         1          1      10   total  0.042066   0.003790
+43         1         1          1      11   total  0.057840   0.004811
+22         1         1          2       1   total  0.000175   0.000234
+23         1         1          2       2   total  0.000000   0.000000
+24         1         1          2       3   total  0.000175   0.000234
+25         1         1          2       4   total  0.000175   0.000234
 26         1         1          2       5   total  0.000000   0.000000
 27         1         1          2       6   total  0.000000   0.000000
 28         1         1          2       7   total  0.000000   0.000000
@@ -167,29 +167,29 @@
 19         1         2          1       9   total  0.000000   0.000000
 20         1         2          1      10   total  0.000000   0.000000
 21         1         2          1      11   total  0.000000   0.000000
-0          1         2          2       1   total  0.031440   0.007170
-1          1         2          2       2   total  0.036063   0.003334
-2          1         2          2       3   total  0.035138   0.005303
-3          1         2          2       4   total  0.035138   0.007478
-4          1         2          2       5   total  0.036988   0.007318
-5          1         2          2       6   total  0.024042   0.004965
-6          1         2          2       7   total  0.033289   0.008334
-7          1         2          2       8   total  0.038837   0.007896
-8          1         2          2       9   total  0.031440   0.004148
-9          1         2          2      10   total  0.049009   0.007083
-10         1         2          2      11   total  0.044385   0.013469
+0          1         2          2       1   total  0.037164   0.006511
+1          1         2          2       2   total  0.039173   0.005840
+2          1         2          2       3   total  0.044195   0.007782
+3          1         2          2       4   total  0.043191   0.007047
+4          1         2          2       5   total  0.025111   0.007234
+5          1         2          2       6   total  0.037164   0.010146
+6          1         2          2       7   total  0.035155   0.009835
+7          1         2          2       8   total  0.041182   0.010828
+8          1         2          2       9   total  0.032142   0.004419
+9          1         2          2      10   total  0.026115   0.007356
+10         1         2          2      11   total  0.035155   0.009032
     material  group in  group out  mu bin nuclide      mean  std. dev.
-33         2         1          1       1   total  0.026798   0.002892
-34         2         1          1       2   total  0.021339   0.003475
-35         2         1          1       3   total  0.021835   0.003963
-36         2         1          1       4   total  0.018361   0.006133
-37         2         1          1       5   total  0.023820   0.003932
-38         2         1          1       6   total  0.025805   0.003808
-39         2         1          1       7   total  0.026798   0.002299
-40         2         1          1       8   total  0.029279   0.003939
-41         2         1          1       9   total  0.034738   0.004323
-42         2         1          1      10   total  0.032753   0.006086
-43         2         1          1      11   total  0.057069   0.003798
+33         2         1          1       1   total  0.025373   0.004281
+34         2         1          1       2   total  0.023909   0.004395
+35         2         1          1       3   total  0.019518   0.003911
+36         2         1          1       4   total  0.019518   0.003424
+37         2         1          1       5   total  0.020006   0.002901
+38         2         1          1       6   total  0.024885   0.005801
+39         2         1          1       7   total  0.019030   0.002566
+40         2         1          1       8   total  0.030741   0.001410
+41         2         1          1       9   total  0.034156   0.002902
+42         2         1          1      10   total  0.042939   0.004498
+43         2         1          1      11   total  0.054650   0.003865
 22         2         1          2       1   total  0.000000   0.000000
 23         2         1          2       2   total  0.000000   0.000000
 24         2         1          2       3   total  0.000000   0.000000
@@ -212,29 +212,29 @@
 19         2         2          1       9   total  0.000000   0.000000
 20         2         2          1      10   total  0.000000   0.000000
 21         2         2          1      11   total  0.000000   0.000000
-0          2         2          2       1   total  0.032254   0.009449
-1          2         2          2       2   total  0.018815   0.005569
-2          2         2          2       3   total  0.032254   0.009449
-3          2         2          2       4   total  0.024191   0.006844
-4          2         2          2       5   total  0.013439   0.008563
-5          2         2          2       6   total  0.024191   0.005365
-6          2         2          2       7   total  0.043005   0.010420
-7          2         2          2       8   total  0.032254   0.012710
-8          2         2          2       9   total  0.034942   0.007365
-9          2         2          2      10   total  0.021503   0.007051
-10         2         2          2      11   total  0.018815   0.008193
+0          2         2          2       1   total  0.026892   0.012233
+1          2         2          2       2   total  0.034959   0.007449
+2          2         2          2       3   total  0.040337   0.009144
+3          2         2          2       4   total  0.021513   0.003750
+4          2         2          2       5   total  0.018824   0.005602
+5          2         2          2       6   total  0.026892   0.004806
+6          2         2          2       7   total  0.037648   0.012716
+7          2         2          2       8   total  0.026892   0.009768
+8          2         2          2       9   total  0.024202   0.005420
+9          2         2          2      10   total  0.018824   0.010183
+10         2         2          2      11   total  0.018824   0.007033
     material  group in  group out  mu bin nuclide      mean  std. dev.
-33         2         1          1       1   total  0.026798   0.002892
-34         2         1          1       2   total  0.021339   0.003475
-35         2         1          1       3   total  0.021835   0.003963
-36         2         1          1       4   total  0.018361   0.006133
-37         2         1          1       5   total  0.023820   0.003932
-38         2         1          1       6   total  0.025805   0.003808
-39         2         1          1       7   total  0.026798   0.002299
-40         2         1          1       8   total  0.029279   0.003939
-41         2         1          1       9   total  0.034738   0.004323
-42         2         1          1      10   total  0.032753   0.006086
-43         2         1          1      11   total  0.057069   0.003798
+33         2         1          1       1   total  0.025373   0.004281
+34         2         1          1       2   total  0.023909   0.004395
+35         2         1          1       3   total  0.019518   0.003911
+36         2         1          1       4   total  0.019518   0.003424
+37         2         1          1       5   total  0.020006   0.002901
+38         2         1          1       6   total  0.024885   0.005801
+39         2         1          1       7   total  0.019030   0.002566
+40         2         1          1       8   total  0.030741   0.001410
+41         2         1          1       9   total  0.034156   0.002902
+42         2         1          1      10   total  0.042939   0.004498
+43         2         1          1      11   total  0.054650   0.003865
 22         2         1          2       1   total  0.000000   0.000000
 23         2         1          2       2   total  0.000000   0.000000
 24         2         1          2       3   total  0.000000   0.000000
@@ -257,29 +257,29 @@
 19         2         2          1       9   total  0.000000   0.000000
 20         2         2          1      10   total  0.000000   0.000000
 21         2         2          1      11   total  0.000000   0.000000
-0          2         2          2       1   total  0.032254   0.009449
-1          2         2          2       2   total  0.018815   0.005569
-2          2         2          2       3   total  0.032254   0.009449
-3          2         2          2       4   total  0.024191   0.006844
-4          2         2          2       5   total  0.013439   0.008563
-5          2         2          2       6   total  0.024191   0.005365
-6          2         2          2       7   total  0.043005   0.010420
-7          2         2          2       8   total  0.032254   0.012710
-8          2         2          2       9   total  0.034942   0.007365
-9          2         2          2      10   total  0.021503   0.007051
-10         2         2          2      11   total  0.018815   0.008193
+0          2         2          2       1   total  0.026892   0.012233
+1          2         2          2       2   total  0.034959   0.007449
+2          2         2          2       3   total  0.040337   0.009144
+3          2         2          2       4   total  0.021513   0.003750
+4          2         2          2       5   total  0.018824   0.005602
+5          2         2          2       6   total  0.026892   0.004806
+6          2         2          2       7   total  0.037648   0.012716
+7          2         2          2       8   total  0.026892   0.009768
+8          2         2          2       9   total  0.024202   0.005420
+9          2         2          2      10   total  0.018824   0.010183
+10         2         2          2      11   total  0.018824   0.007033
     material  group in  group out  mu bin nuclide      mean  std. dev.
-33         2         1          1       1   total  0.026249   0.003012
-34         2         1          1       2   total  0.020902   0.003500
-35         2         1          1       3   total  0.021388   0.003971
-36         2         1          1       4   total  0.017986   0.006048
-37         2         1          1       5   total  0.023333   0.003958
-38         2         1          1       6   total  0.025277   0.003858
-39         2         1          1       7   total  0.026249   0.002473
-40         2         1          1       8   total  0.028680   0.004017
-41         2         1          1       9   total  0.034027   0.004437
-42         2         1          1      10   total  0.032082   0.006091
-43         2         1          1      11   total  0.055901   0.004311
+33         2         1          1       1   total  0.025753   0.004484
+34         2         1          1       2   total  0.024267   0.004581
+35         2         1          1       3   total  0.019810   0.004060
+36         2         1          1       4   total  0.019810   0.003579
+37         2         1          1       5   total  0.020305   0.003071
+38         2         1          1       6   total  0.025258   0.005987
+39         2         1          1       7   total  0.019315   0.002734
+40         2         1          1       8   total  0.031201   0.001961
+41         2         1          1       9   total  0.034668   0.003301
+42         2         1          1      10   total  0.043582   0.004935
+43         2         1          1      11   total  0.055468   0.004591
 22         2         1          2       1   total  0.000000   0.000000
 23         2         1          2       2   total  0.000000   0.000000
 24         2         1          2       3   total  0.000000   0.000000
@@ -302,29 +302,29 @@
 19         2         2          1       9   total  0.000000   0.000000
 20         2         2          1      10   total  0.000000   0.000000
 21         2         2          1      11   total  0.000000   0.000000
-0          2         2          2       1   total  0.032230   0.009604
-1          2         2          2       2   total  0.018801   0.005658
-2          2         2          2       3   total  0.032230   0.009604
-3          2         2          2       4   total  0.024172   0.006964
-4          2         2          2       5   total  0.013429   0.008588
-5          2         2          2       6   total  0.024172   0.005520
-6          2         2          2       7   total  0.042973   0.010671
-7          2         2          2       8   total  0.032230   0.012821
-8          2         2          2       9   total  0.034915   0.007601
-9          2         2          2      10   total  0.021486   0.007142
-10         2         2          2      11   total  0.018801   0.008251
+0          2         2          2       1   total  0.026854   0.012543
+1          2         2          2       2   total  0.034911   0.008307
+2          2         2          2       3   total  0.040281   0.010079
+3          2         2          2       4   total  0.021483   0.004382
+4          2         2          2       5   total  0.018798   0.005938
+5          2         2          2       6   total  0.026854   0.005579
+6          2         2          2       7   total  0.037596   0.013308
+7          2         2          2       8   total  0.026854   0.010161
+8          2         2          2       9   total  0.024169   0.005987
+9          2         2          2      10   total  0.018798   0.010362
+10         2         2          2      11   total  0.018798   0.007300
     material  group in  group out  mu bin nuclide      mean  std. dev.
-33         2         1          1       1   total  0.026249   0.003460
-34         2         1          1       2   total  0.020902   0.003754
-35         2         1          1       3   total  0.021388   0.004206
-36         2         1          1       4   total  0.017986   0.006160
-37         2         1          1       5   total  0.023333   0.004238
-38         2         1          1       6   total  0.025277   0.004192
-39         2         1          1       7   total  0.026249   0.003003
-40         2         1          1       8   total  0.028680   0.004427
-41         2         1          1       9   total  0.034027   0.004956
-42         2         1          1      10   total  0.032082   0.006437
-43         2         1          1      11   total  0.055901   0.005636
+33         2         1          1       1   total  0.025753   0.004661
+34         2         1          1       2   total  0.024267   0.004736
+35         2         1          1       3   total  0.019810   0.004177
+36         2         1          1       4   total  0.019810   0.003711
+37         2         1          1       5   total  0.020305   0.003231
+38         2         1          1       6   total  0.025258   0.006117
+39         2         1          1       7   total  0.019315   0.002897
+40         2         1          1       8   total  0.031201   0.002497
+41         2         1          1       9   total  0.034668   0.003721
+42         2         1          1      10   total  0.043582   0.005386
+43         2         1          1      11   total  0.055468   0.005350
 22         2         1          2       1   total  0.000000   0.000000
 23         2         1          2       2   total  0.000000   0.000000
 24         2         1          2       3   total  0.000000   0.000000
@@ -347,40 +347,40 @@
 19         2         2          1       9   total  0.000000   0.000000
 20         2         2          1      10   total  0.000000   0.000000
 21         2         2          1      11   total  0.000000   0.000000
-0          2         2          2       1   total  0.032230   0.010330
-1          2         2          2       2   total  0.018801   0.006077
-2          2         2          2       3   total  0.032230   0.010330
-3          2         2          2       4   total  0.024172   0.007526
-4          2         2          2       5   total  0.013429   0.008733
-5          2         2          2       6   total  0.024172   0.006213
-6          2         2          2       7   total  0.042973   0.011815
-7          2         2          2       8   total  0.032230   0.013373
-8          2         2          2       9   total  0.034915   0.008646
-9          2         2          2      10   total  0.021486   0.007579
-10         2         2          2      11   total  0.018801   0.008544
+0          2         2          2       1   total  0.026854   0.013054
+1          2         2          2       2   total  0.034911   0.009546
+2          2         2          2       3   total  0.040281   0.011446
+3          2         2          2       4   total  0.021483   0.005251
+4          2         2          2       5   total  0.018798   0.006456
+5          2         2          2       6   total  0.026854   0.006649
+6          2         2          2       7   total  0.037596   0.014239
+7          2         2          2       8   total  0.026854   0.010785
+8          2         2          2       9   total  0.024169   0.006815
+9          2         2          2      10   total  0.018798   0.010667
+10         2         2          2      11   total  0.018798   0.007727
     material  group in  group out  mu bin nuclide      mean  std. dev.
-33         3         1          1       1   total  0.007006   0.000692
-34         3         1          1       2   total  0.006819   0.000431
-35         3         1          1       3   total  0.005511   0.000591
-36         3         1          1       4   total  0.006165   0.000470
-37         3         1          1       5   total  0.007660   0.000919
-38         3         1          1       6   total  0.012237   0.000938
-39         3         1          1       7   total  0.040914   0.002235
-40         3         1          1       8   total  0.074356   0.001968
-41         3         1          1       9   total  0.121622   0.004662
-42         3         1          1      10   total  0.158707   0.004147
-43         3         1          1      11   total  0.200742   0.007791
-22         3         1          2       1   total  0.000187   0.000187
-23         3         1          2       2   total  0.001028   0.000096
-24         3         1          2       3   total  0.000841   0.000176
-25         3         1          2       4   total  0.000841   0.000310
-26         3         1          2       5   total  0.001308   0.000274
-27         3         1          2       6   total  0.003736   0.000538
-28         3         1          2       7   total  0.003830   0.000703
-29         3         1          2       8   total  0.006259   0.000452
-30         3         1          2       9   total  0.005231   0.000510
-31         3         1          2      10   total  0.005044   0.000440
-32         3         1          2      11   total  0.002522   0.000194
+33         3         1          1       1   total  0.007681   0.001043
+34         3         1          1       2   total  0.005645   0.000710
+35         3         1          1       3   total  0.007403   0.000552
+36         3         1          1       4   total  0.007866   0.000512
+37         3         1          1       5   total  0.007589   0.000524
+38         3         1          1       6   total  0.011198   0.001548
+39         3         1          1       7   total  0.039701   0.002533
+40         3         1          1       8   total  0.075978   0.001897
+41         3         1          1       9   total  0.112532   0.003677
+42         3         1          1      10   total  0.166670   0.005003
+43         3         1          1      11   total  0.210443   0.005656
+22         3         1          2       1   total  0.000463   0.000207
+23         3         1          2       2   total  0.000555   0.000227
+24         3         1          2       3   total  0.000740   0.000429
+25         3         1          2       4   total  0.001111   0.000236
+26         3         1          2       5   total  0.002128   0.000631
+27         3         1          2       6   total  0.003146   0.000645
+28         3         1          2       7   total  0.004905   0.000561
+29         3         1          2       8   total  0.005738   0.000742
+30         3         1          2       9   total  0.005090   0.000672
+31         3         1          2      10   total  0.005367   0.000561
+32         3         1          2      11   total  0.002406   0.000593
 11         3         2          1       1   total  0.000000   0.000000
 12         3         2          1       2   total  0.000000   0.000000
 13         3         2          1       3   total  0.000000   0.000000
@@ -390,42 +390,42 @@
 17         3         2          1       7   total  0.000000   0.000000
 18         3         2          1       8   total  0.000000   0.000000
 19         3         2          1       9   total  0.000000   0.000000
-20         3         2          1      10   total  0.000467   0.000467
-21         3         2          1      11   total  0.000000   0.000000
-0          3         2          2       1   total  0.084030   0.007630
-1          3         2          2       2   total  0.099902   0.010027
-2          3         2          2       3   total  0.112040   0.010928
-3          3         2          2       4   total  0.117642   0.008523
-4          3         2          2       5   total  0.139116   0.009002
-5          3         2          2       6   total  0.161057   0.013537
-6          3         2          2       7   total  0.180664   0.010135
-7          3         2          2       8   total  0.219411   0.014717
-8          3         2          2       9   total  0.239485   0.027005
-9          3         2          2      10   total  0.281033   0.021376
-10         3         2          2      11   total  0.369731   0.027200
+20         3         2          1      10   total  0.000000   0.000000
+21         3         2          1      11   total  0.000474   0.000475
+0          3         2          2       1   total  0.074402   0.007811
+1          3         2          2       2   total  0.103783   0.009042
+2          3         2          2       3   total  0.106153   0.012691
+3          3         2          2       4   total  0.115631   0.011475
+4          3         2          2       5   total  0.128900   0.014096
+5          3         2          2       6   total  0.169655   0.021010
+6          3         2          2       7   total  0.175816   0.016086
+7          3         2          2       8   total  0.217519   0.029631
+8          3         2          2       9   total  0.247374   0.021476
+9          3         2          2      10   total  0.299977   0.031756
+10         3         2          2      11   total  0.351157   0.027654
     material  group in  group out  mu bin nuclide      mean  std. dev.
-33         3         1          1       1   total  0.007006   0.000692
-34         3         1          1       2   total  0.006819   0.000431
-35         3         1          1       3   total  0.005511   0.000591
-36         3         1          1       4   total  0.006165   0.000470
-37         3         1          1       5   total  0.007660   0.000919
-38         3         1          1       6   total  0.012237   0.000938
-39         3         1          1       7   total  0.040914   0.002235
-40         3         1          1       8   total  0.074356   0.001968
-41         3         1          1       9   total  0.121622   0.004662
-42         3         1          1      10   total  0.158707   0.004147
-43         3         1          1      11   total  0.200742   0.007791
-22         3         1          2       1   total  0.000187   0.000187
-23         3         1          2       2   total  0.001028   0.000096
-24         3         1          2       3   total  0.000841   0.000176
-25         3         1          2       4   total  0.000841   0.000310
-26         3         1          2       5   total  0.001308   0.000274
-27         3         1          2       6   total  0.003736   0.000538
-28         3         1          2       7   total  0.003830   0.000703
-29         3         1          2       8   total  0.006259   0.000452
-30         3         1          2       9   total  0.005231   0.000510
-31         3         1          2      10   total  0.005044   0.000440
-32         3         1          2      11   total  0.002522   0.000194
+33         3         1          1       1   total  0.007681   0.001043
+34         3         1          1       2   total  0.005645   0.000710
+35         3         1          1       3   total  0.007403   0.000552
+36         3         1          1       4   total  0.007866   0.000512
+37         3         1          1       5   total  0.007589   0.000524
+38         3         1          1       6   total  0.011198   0.001548
+39         3         1          1       7   total  0.039701   0.002533
+40         3         1          1       8   total  0.075978   0.001897
+41         3         1          1       9   total  0.112532   0.003677
+42         3         1          1      10   total  0.166670   0.005003
+43         3         1          1      11   total  0.210443   0.005656
+22         3         1          2       1   total  0.000463   0.000207
+23         3         1          2       2   total  0.000555   0.000227
+24         3         1          2       3   total  0.000740   0.000429
+25         3         1          2       4   total  0.001111   0.000236
+26         3         1          2       5   total  0.002128   0.000631
+27         3         1          2       6   total  0.003146   0.000645
+28         3         1          2       7   total  0.004905   0.000561
+29         3         1          2       8   total  0.005738   0.000742
+30         3         1          2       9   total  0.005090   0.000672
+31         3         1          2      10   total  0.005367   0.000561
+32         3         1          2      11   total  0.002406   0.000593
 11         3         2          1       1   total  0.000000   0.000000
 12         3         2          1       2   total  0.000000   0.000000
 13         3         2          1       3   total  0.000000   0.000000
@@ -435,42 +435,42 @@
 17         3         2          1       7   total  0.000000   0.000000
 18         3         2          1       8   total  0.000000   0.000000
 19         3         2          1       9   total  0.000000   0.000000
-20         3         2          1      10   total  0.000467   0.000467
-21         3         2          1      11   total  0.000000   0.000000
-0          3         2          2       1   total  0.084030   0.007630
-1          3         2          2       2   total  0.099902   0.010027
-2          3         2          2       3   total  0.112040   0.010928
-3          3         2          2       4   total  0.117642   0.008523
-4          3         2          2       5   total  0.139116   0.009002
-5          3         2          2       6   total  0.161057   0.013537
-6          3         2          2       7   total  0.180664   0.010135
-7          3         2          2       8   total  0.219411   0.014717
-8          3         2          2       9   total  0.239485   0.027005
-9          3         2          2      10   total  0.281033   0.021376
-10         3         2          2      11   total  0.369731   0.027200
+20         3         2          1      10   total  0.000000   0.000000
+21         3         2          1      11   total  0.000474   0.000475
+0          3         2          2       1   total  0.074402   0.007811
+1          3         2          2       2   total  0.103783   0.009042
+2          3         2          2       3   total  0.106153   0.012691
+3          3         2          2       4   total  0.115631   0.011475
+4          3         2          2       5   total  0.128900   0.014096
+5          3         2          2       6   total  0.169655   0.021010
+6          3         2          2       7   total  0.175816   0.016086
+7          3         2          2       8   total  0.217519   0.029631
+8          3         2          2       9   total  0.247374   0.021476
+9          3         2          2      10   total  0.299977   0.031756
+10         3         2          2      11   total  0.351157   0.027654
     material  group in  group out  mu bin nuclide      mean  std. dev.
-33         3         1          1       1   total  0.007106   0.000737
-34         3         1          1       2   total  0.006917   0.000488
-35         3         1          1       3   total  0.005590   0.000624
-36         3         1          1       4   total  0.006254   0.000516
-37         3         1          1       5   total  0.007770   0.000964
-38         3         1          1       6   total  0.012412   0.001029
-39         3         1          1       7   total  0.041501   0.002618
-40         3         1          1       8   total  0.075421   0.003106
-41         3         1          1       9   total  0.123365   0.006125
-42         3         1          1      10   total  0.160981   0.006595
-43         3         1          1      11   total  0.203618   0.010185
-22         3         1          2       1   total  0.000190   0.000190
-23         3         1          2       2   total  0.001042   0.000103
-24         3         1          2       3   total  0.000853   0.000180
-25         3         1          2       4   total  0.000853   0.000316
-26         3         1          2       5   total  0.001327   0.000281
-27         3         1          2       6   total  0.003790   0.000559
-28         3         1          2       7   total  0.003885   0.000724
-29         3         1          2       8   total  0.006348   0.000500
-30         3         1          2       9   total  0.005306   0.000544
-31         3         1          2      10   total  0.005117   0.000475
-32         3         1          2      11   total  0.002558   0.000213
+33         3         1          1       1   total  0.007759   0.001080
+34         3         1          1       2   total  0.005703   0.000738
+35         3         1          1       3   total  0.007479   0.000602
+36         3         1          1       4   total  0.007946   0.000571
+37         3         1          1       5   total  0.007666   0.000578
+38         3         1          1       6   total  0.011312   0.001601
+39         3         1          1       7   total  0.040106   0.002833
+40         3         1          1       8   total  0.076753   0.003016
+41         3         1          1       9   total  0.113680   0.005068
+42         3         1          1      10   total  0.168370   0.007185
+43         3         1          1      11   total  0.212589   0.008616
+22         3         1          2       1   total  0.000467   0.000210
+23         3         1          2       2   total  0.000561   0.000230
+24         3         1          2       3   total  0.000748   0.000434
+25         3         1          2       4   total  0.001122   0.000241
+26         3         1          2       5   total  0.002150   0.000641
+27         3         1          2       6   total  0.003179   0.000659
+28         3         1          2       7   total  0.004955   0.000586
+29         3         1          2       8   total  0.005796   0.000770
+30         3         1          2       9   total  0.005142   0.000697
+31         3         1          2      10   total  0.005422   0.000590
+32         3         1          2      11   total  0.002431   0.000604
 11         3         2          1       1   total  0.000000   0.000000
 12         3         2          1       2   total  0.000000   0.000000
 13         3         2          1       3   total  0.000000   0.000000
@@ -480,42 +480,42 @@
 17         3         2          1       7   total  0.000000   0.000000
 18         3         2          1       8   total  0.000000   0.000000
 19         3         2          1       9   total  0.000000   0.000000
-20         3         2          1      10   total  0.000466   0.000467
-21         3         2          1      11   total  0.000000   0.000000
-0          3         2          2       1   total  0.083912   0.007782
-1          3         2          2       2   total  0.099762   0.010188
-2          3         2          2       3   total  0.111883   0.011115
-3          3         2          2       4   total  0.117477   0.008794
-4          3         2          2       5   total  0.138921   0.009363
-5          3         2          2       6   total  0.160831   0.013853
-6          3         2          2       7   total  0.180411   0.010676
-7          3         2          2       8   total  0.219104   0.015265
-8          3         2          2       9   total  0.239149   0.027341
-9          3         2          2      10   total  0.280639   0.021991
-10         3         2          2      11   total  0.369213   0.028038
+20         3         2          1      10   total  0.000000   0.000000
+21         3         2          1      11   total  0.000477   0.000479
+0          3         2          2       1   total  0.074833   0.009685
+1          3         2          2       2   total  0.104384   0.012046
+2          3         2          2       3   total  0.106768   0.015107
+3          3         2          2       4   total  0.116300   0.014515
+4          3         2          2       5   total  0.129646   0.017242
+5          3         2          2       6   total  0.170637   0.024765
+6          3         2          2       7   total  0.176834   0.020997
+7          3         2          2       8   total  0.218778   0.034093
+8          3         2          2       9   total  0.248807   0.028656
+9          3         2          2      10   total  0.301714   0.039263
+10         3         2          2      11   total  0.353191   0.038577
     material  group in  group out  mu bin nuclide      mean  std. dev.
-33         3         1          1       1   total  0.007106   0.000751
-34         3         1          1       2   total  0.006917   0.000509
-35         3         1          1       3   total  0.005590   0.000635
-36         3         1          1       4   total  0.006254   0.000532
-37         3         1          1       5   total  0.007770   0.000977
-38         3         1          1       6   total  0.012412   0.001060
-39         3         1          1       7   total  0.041501   0.002755
-40         3         1          1       8   total  0.075421   0.003475
-41         3         1          1       9   total  0.123365   0.006634
-42         3         1          1      10   total  0.160981   0.007387
-43         3         1          1      11   total  0.203618   0.011019
-22         3         1          2       1   total  0.000190   0.000190
-23         3         1          2       2   total  0.001042   0.000114
-24         3         1          2       3   total  0.000853   0.000185
-25         3         1          2       4   total  0.000853   0.000319
-26         3         1          2       5   total  0.001327   0.000288
-27         3         1          2       6   total  0.003790   0.000588
-28         3         1          2       7   total  0.003885   0.000748
-29         3         1          2       8   total  0.006348   0.000587
-30         3         1          2       9   total  0.005306   0.000601
-31         3         1          2      10   total  0.005117   0.000535
-32         3         1          2      11   total  0.002558   0.000246
+33         3         1          1       1   total  0.007759   0.001091
+34         3         1          1       2   total  0.005703   0.000746
+35         3         1          1       3   total  0.007479   0.000619
+36         3         1          1       4   total  0.007946   0.000592
+37         3         1          1       5   total  0.007666   0.000598
+38         3         1          1       6   total  0.011312   0.001616
+39         3         1          1       7   total  0.040106   0.002941
+40         3         1          1       8   total  0.076753   0.003373
+41         3         1          1       9   total  0.113680   0.005540
+42         3         1          1      10   total  0.168370   0.007913
+43         3         1          1      11   total  0.212589   0.009578
+22         3         1          2       1   total  0.000467   0.000211
+23         3         1          2       2   total  0.000561   0.000232
+24         3         1          2       3   total  0.000748   0.000436
+25         3         1          2       4   total  0.001122   0.000250
+26         3         1          2       5   total  0.002150   0.000653
+27         3         1          2       6   total  0.003179   0.000684
+28         3         1          2       7   total  0.004955   0.000654
+29         3         1          2       8   total  0.005796   0.000841
+30         3         1          2       9   total  0.005142   0.000759
+31         3         1          2      10   total  0.005422   0.000670
+32         3         1          2      11   total  0.002431   0.000620
 11         3         2          1       1   total  0.000000   0.000000
 12         3         2          1       2   total  0.000000   0.000000
 13         3         2          1       3   total  0.000000   0.000000
@@ -525,16 +525,16 @@
 17         3         2          1       7   total  0.000000   0.000000
 18         3         2          1       8   total  0.000000   0.000000
 19         3         2          1       9   total  0.000000   0.000000
-20         3         2          1      10   total  0.000466   0.000808
-21         3         2          1      11   total  0.000000   0.000000
-0          3         2          2       1   total  0.083912   0.008936
-1          3         2          2       2   total  0.099762   0.011448
-2          3         2          2       3   total  0.111883   0.012563
-3          3         2          2       4   total  0.117477   0.010731
-4          3         2          2       5   total  0.138921   0.011855
-5          3         2          2       6   total  0.160831   0.016211
-6          3         2          2       7   total  0.180411   0.014254
-7          3         2          2       8   total  0.219104   0.019093
-8          3         2          2       9   total  0.239149   0.030071
-9          3         2          2      10   total  0.280639   0.026447
-10         3         2          2      11   total  0.369213   0.034054
+20         3         2          1      10   total  0.000000   0.000000
+21         3         2          1      11   total  0.000477   0.000827
+0          3         2          2       1   total  0.074833   0.011051
+1          3         2          2       2   total  0.104384   0.014150
+2          3         2          2       3   total  0.106768   0.016908
+3          3         2          2       4   total  0.116300   0.016707
+4          3         2          2       5   total  0.129646   0.019553
+5          3         2          2       6   total  0.170637   0.027579
+6          3         2          2       7   total  0.176834   0.024476
+7          3         2          2       8   total  0.218778   0.037476
+8          3         2          2       9   total  0.248807   0.033680
+9          3         2          2      10   total  0.301714   0.044745
+10         3         2          2      11   total  0.353191   0.046035
diff --git a/tests/regression_tests/mgxs_library_mesh/results_true.dat b/tests/regression_tests/mgxs_library_mesh/results_true.dat
index b1e8ac003..16b86870d 100644
--- a/tests/regression_tests/mgxs_library_mesh/results_true.dat
+++ b/tests/regression_tests/mgxs_library_mesh/results_true.dat
@@ -1,362 +1,362 @@
   mesh 1       group in nuclide      mean std. dev.
        x  y  z                                     
-0      1  1  1        1   total  0.102539  0.004894
-2      1  2  1        1   total  0.106476  0.007513
-1      2  1  1        1   total  0.101207  0.004814
-3      2  2  1        1   total  0.101733  0.004445
+0      1  1  1        1   total  0.103374  0.004981
+2      1  2  1        1   total  0.103852  0.004752
+1      2  1  1        1   total  0.103322  0.003613
+3      2  2  1        1   total  0.102889  0.003387
   mesh 1       group in nuclide      mean std. dev.
        x  y  z                                     
-0      1  1  1        1   total  0.073423  0.005232
-2      1  2  1        1   total  0.077906  0.007749
-1      2  1  1        1   total  0.071315  0.005181
-3      2  2  1        1   total  0.071983  0.004856
+0      1  1  1        1   total  0.072760  0.005235
+2      1  2  1        1   total  0.074856  0.004972
+1      2  1  1        1   total  0.074583  0.004000
+3      2  2  1        1   total  0.072925  0.003485
   mesh 1       group in nuclide      mean std. dev.
        x  y  z                                     
-0      1  1  1        1   total  0.073443  0.005235
-2      1  2  1        1   total  0.077909  0.007749
-1      2  1  1        1   total  0.071315  0.005181
-3      2  2  1        1   total  0.071928  0.004865
+0      1  1  1        1   total  0.072768  0.005236
+2      1  2  1        1   total  0.074864  0.004972
+1      2  1  1        1   total  0.074603  0.004002
+3      2  2  1        1   total  0.072881  0.003491
   mesh 1       group in nuclide      mean std. dev.
        x  y  z                                     
-0      1  1  1        1   total  0.013089  0.000762
-2      1  2  1        1   total  0.013802  0.000950
-1      2  1  1        1   total  0.012818  0.000708
-3      2  2  1        1   total  0.012954  0.000699
+0      1  1  1        1   total  0.013309  0.000729
+2      1  2  1        1   total  0.013223  0.000707
+1      2  1  1        1   total  0.013222  0.000596
+3      2  2  1        1   total  0.013282  0.000564
   mesh 1       group in nuclide      mean std. dev.
        x  y  z                                     
-0      1  1  1        1   total  0.013016  0.000761
-2      1  2  1        1   total  0.013715  0.000947
-1      2  1  1        1   total  0.012740  0.000707
-3      2  2  1        1   total  0.012886  0.000698
+0      1  1  1        1   total  0.013241  0.000728
+2      1  2  1        1   total  0.013142  0.000705
+1      2  1  1        1   total  0.013137  0.000596
+3      2  2  1        1   total  0.013221  0.000564
   mesh 1       group in nuclide      mean std. dev.
        x  y  z                                     
-0      1  1  1        1   total  0.001244  0.000926
-2      1  2  1        1   total  0.001345  0.000851
-1      2  1  1        1   total  0.001196  0.000768
-3      2  2  1        1   total  0.001234  0.000843
+0      1  1  1        1   total  0.001281  0.000874
+2      1  2  1        1   total  0.001297  0.000731
+1      2  1  1        1   total  0.001281  0.000744
+3      2  2  1        1   total  0.001288  0.000719
   mesh 1       group in nuclide      mean std. dev.
        x  y  z                                     
-0      1  1  1        1   total  0.011844  0.000690
-2      1  2  1        1   total  0.012457  0.000852
-1      2  1  1        1   total  0.011622  0.000636
-3      2  2  1        1   total  0.011719  0.000633
+0      1  1  1        1   total  0.012029  0.000664
+2      1  2  1        1   total  0.011926  0.000639
+1      2  1  1        1   total  0.011941  0.000545
+3      2  2  1        1   total  0.011994  0.000515
   mesh 1       group in nuclide      mean std. dev.
        x  y  z                                     
-0      1  1  1        1   total  0.030919  0.001784
-2      1  2  1        1   total  0.032495  0.002202
-1      2  1  1        1   total  0.030363  0.001664
-3      2  2  1        1   total  0.030565  0.001671
+0      1  1  1        1   total  0.031361  0.001735
+2      1  2  1        1   total  0.031091  0.001675
+1      2  1  1        1   total  0.031169  0.001418
+3      2  2  1        1   total  0.031255  0.001366
   mesh 1       group in nuclide          mean      std. dev.
        x  y  z                                              
-0      1  1  1        1   total  2.290786e+06  133521.277651
-2      1  2  1        1   total  2.409292e+06  164752.430241
-1      2  1  1        1   total  2.247742e+06  123005.689035
-3      2  2  1        1   total  2.266603e+06  122428.448367
+0      1  1  1        1   total  2.326447e+06  128504.886535
+2      1  2  1        1   total  2.306518e+06  123638.096130
+1      2  1  1        1   total  2.309435e+06  105395.059055
+3      2  2  1        1   total  2.319667e+06   99692.620001
   mesh 1       group in nuclide      mean std. dev.
        x  y  z                                     
-0      1  1  1        1   total  0.089450  0.004147
-2      1  2  1        1   total  0.092674  0.006571
-1      2  1  1        1   total  0.088389  0.004152
-3      2  2  1        1   total  0.088779  0.003763
+0      1  1  1        1   total  0.090065  0.004262
+2      1  2  1        1   total  0.090629  0.004086
+1      2  1  1        1   total  0.090100  0.003045
+3      2  2  1        1   total  0.089607  0.002828
   mesh 1       group in nuclide      mean std. dev.
        x  y  z                                     
-0      1  1  1        1   total  0.089555  0.004061
-2      1  2  1        1   total  0.092658  0.006216
-1      2  1  1        1   total  0.088293  0.004423
-3      2  2  1        1   total  0.088717  0.004937
+0      1  1  1        1   total  0.090188  0.005151
+2      1  2  1        1   total  0.094339  0.004349
+1      2  1  1        1   total  0.088294  0.003953
+3      2  2  1        1   total  0.089633  0.002592
    mesh 1       group in group out legendre nuclide      mean std. dev.
         x  y  z                                                        
-0       1  1  1        1         1       P0   total  0.089523  0.004070
-1       1  1  1        1         1       P1   total  0.029116  0.001851
-2       1  1  1        1         1       P2   total  0.016529  0.000827
-3       1  1  1        1         1       P3   total  0.009975  0.000731
-8       1  2  1        1         1       P0   total  0.092626  0.006233
-9       1  2  1        1         1       P1   total  0.028570  0.001899
-10      1  2  1        1         1       P2   total  0.015737  0.001986
-11      1  2  1        1         1       P3   total  0.008492  0.000859
-4       2  1  1        1         1       P0   total  0.088293  0.004423
-5       2  1  1        1         1       P1   total  0.029892  0.001916
-6       2  1  1        1         1       P2   total  0.016736  0.000714
-7       2  1  1        1         1       P3   total  0.009129  0.000509
-12      2  2  1        1         1       P0   total  0.088617  0.004889
-13      2  2  1        1         1       P1   total  0.029750  0.001954
-14      2  2  1        1         1       P2   total  0.016440  0.001320
-15      2  2  1        1         1       P3   total  0.009758  0.000538
+0       1  1  1        1         1       P0   total  0.090122  0.005149
+1       1  1  1        1         1       P1   total  0.030614  0.001612
+2       1  1  1        1         1       P2   total  0.016490  0.000897
+3       1  1  1        1         1       P3   total  0.010163  0.000829
+8       1  2  1        1         1       P0   total  0.094307  0.004337
+9       1  2  1        1         1       P1   total  0.028996  0.001462
+10      1  2  1        1         1       P2   total  0.017486  0.000808
+11      1  2  1        1         1       P3   total  0.009753  0.000742
+4       2  1  1        1         1       P0   total  0.088198  0.003959
+5       2  1  1        1         1       P1   total  0.028739  0.001715
+6       2  1  1        1         1       P2   total  0.015608  0.000680
+7       2  1  1        1         1       P3   total  0.008232  0.000363
+12      2  2  1        1         1       P0   total  0.089536  0.002551
+13      2  2  1        1         1       P1   total  0.029964  0.000821
+14      2  2  1        1         1       P2   total  0.015742  0.001260
+15      2  2  1        1         1       P3   total  0.008944  0.000385
    mesh 1       group in group out legendre nuclide      mean std. dev.
         x  y  z                                                        
-0       1  1  1        1         1       P0   total  0.089555  0.004061
-1       1  1  1        1         1       P1   total  0.029096  0.001859
-2       1  1  1        1         1       P2   total  0.016532  0.000828
-3       1  1  1        1         1       P3   total  0.009986  0.000734
-8       1  2  1        1         1       P0   total  0.092658  0.006216
-9       1  2  1        1         1       P1   total  0.028567  0.001899
-10      1  2  1        1         1       P2   total  0.015721  0.001995
-11      1  2  1        1         1       P3   total  0.008496  0.000857
-4       2  1  1        1         1       P0   total  0.088293  0.004423
-5       2  1  1        1         1       P1   total  0.029892  0.001916
-6       2  1  1        1         1       P2   total  0.016736  0.000714
-7       2  1  1        1         1       P3   total  0.009129  0.000509
-12      2  2  1        1         1       P0   total  0.088717  0.004937
-13      2  2  1        1         1       P1   total  0.029805  0.001977
-14      2  2  1        1         1       P2   total  0.016448  0.001327
-15      2  2  1        1         1       P3   total  0.009752  0.000534
+0       1  1  1        1         1       P0   total  0.090188  0.005151
+1       1  1  1        1         1       P1   total  0.030606  0.001614
+2       1  1  1        1         1       P2   total  0.016462  0.000898
+3       1  1  1        1         1       P3   total  0.010173  0.000824
+8       1  2  1        1         1       P0   total  0.094339  0.004349
+9       1  2  1        1         1       P1   total  0.028988  0.001462
+10      1  2  1        1         1       P2   total  0.017473  0.000811
+11      1  2  1        1         1       P3   total  0.009763  0.000749
+4       2  1  1        1         1       P0   total  0.088294  0.003953
+5       2  1  1        1         1       P1   total  0.028719  0.001720
+6       2  1  1        1         1       P2   total  0.015571  0.000691
+7       2  1  1        1         1       P3   total  0.008255  0.000361
+12      2  2  1        1         1       P0   total  0.089633  0.002592
+13      2  2  1        1         1       P1   total  0.030008  0.000847
+14      2  2  1        1         1       P2   total  0.015748  0.001284
+15      2  2  1        1         1       P3   total  0.008951  0.000387
   mesh 1       group in group out nuclide      mean std. dev.
        x  y  z                                               
-0      1  1  1        1         1   total  1.000362  0.044694
-2      1  2  1        1         1   total  1.000346  0.059372
-1      2  1  1        1         1   total  1.000000  0.055277
-3      2  2  1        1         1   total  1.001132  0.057130
+0      1  1  1        1         1   total  1.000736  0.060260
+2      1  2  1        1         1   total  1.000346  0.042656
+1      2  1  1        1         1   total  1.001091  0.052736
+3      2  2  1        1         1   total  1.001078  0.038212
   mesh 1       group in group out nuclide      mean std. dev.
        x  y  z                                               
-0      1  1  1        1         1   total  0.031634  0.002236
-2      1  2  1        1         1   total  0.032561  0.002344
-1      2  1  1        1         1   total  0.030820  0.002579
-3      2  2  1        1         1   total  0.029308  0.002507
+0      1  1  1        1         1   total  0.031890  0.002523
+2      1  2  1        1         1   total  0.032714  0.001502
+1      2  1  1        1         1   total  0.030414  0.002369
+3      2  2  1        1         1   total  0.031051  0.001521
   mesh 1       group in group out nuclide mean std. dev.
        x  y  z                                          
-0      1  1  1        1         1   total  1.0  0.044796
-2      1  2  1        1         1   total  1.0  0.059579
-1      2  1  1        1         1   total  1.0  0.055277
-3      2  2  1        1         1   total  1.0  0.056598
+0      1  1  1        1         1   total  1.0  0.060234
+2      1  2  1        1         1   total  1.0  0.042523
+1      2  1  1        1         1   total  1.0  0.052777
+3      2  2  1        1         1   total  1.0  0.037842
    mesh 1       group in group out legendre nuclide      mean std. dev.
         x  y  z                                                        
-0       1  1  1        1         1       P0   total  0.089450  0.005766
-1       1  1  1        1         1       P1   total  0.029092  0.002277
-2       1  1  1        1         1       P2   total  0.016516  0.001119
-3       1  1  1        1         1       P3   total  0.009967  0.000861
-8       1  2  1        1         1       P0   total  0.092674  0.008583
-9       1  2  1        1         1       P1   total  0.028585  0.002630
-10      1  2  1        1         1       P2   total  0.015745  0.002226
-11      1  2  1        1         1       P3   total  0.008496  0.001015
-4       2  1  1        1         1       P0   total  0.088389  0.006412
-5       2  1  1        1         1       P1   total  0.029924  0.002479
-6       2  1  1        1         1       P2   total  0.016754  0.001133
-7       2  1  1        1         1       P3   total  0.009139  0.000699
-12      2  2  1        1         1       P0   total  0.088779  0.006278
-13      2  2  1        1         1       P1   total  0.029804  0.002360
-14      2  2  1        1         1       P2   total  0.016470  0.001510
-15      2  2  1        1         1       P3   total  0.009776  0.000691
+0       1  1  1        1         1       P0   total  0.090065  0.006899
+1       1  1  1        1         1       P1   total  0.030595  0.002243
+2       1  1  1        1         1       P2   total  0.016480  0.001229
+3       1  1  1        1         1       P3   total  0.010157  0.000977
+8       1  2  1        1         1       P0   total  0.090629  0.005616
+9       1  2  1        1         1       P1   total  0.027865  0.001820
+10      1  2  1        1         1       P2   total  0.016804  0.001044
+11      1  2  1        1         1       P3   total  0.009373  0.000813
+4       2  1  1        1         1       P0   total  0.090100  0.005647
+5       2  1  1        1         1       P1   total  0.029359  0.002172
+6       2  1  1        1         1       P2   total  0.015944  0.000984
+7       2  1  1        1         1       P3   total  0.008410  0.000523
+12      2  2  1        1         1       P0   total  0.089607  0.004415
+13      2  2  1        1         1       P1   total  0.029988  0.001459
+14      2  2  1        1         1       P2   total  0.015755  0.001411
+15      2  2  1        1         1       P3   total  0.008951  0.000528
    mesh 1       group in group out legendre nuclide      mean std. dev.
         x  y  z                                                        
-0       1  1  1        1         1       P0   total  0.089483  0.007018
-1       1  1  1        1         1       P1   total  0.029103  0.002623
-2       1  1  1        1         1       P2   total  0.016522  0.001341
-3       1  1  1        1         1       P3   total  0.009971  0.000970
-8       1  2  1        1         1       P0   total  0.092706  0.010197
-9       1  2  1        1         1       P1   total  0.028595  0.003131
-10      1  2  1        1         1       P2   total  0.015750  0.002415
-11      1  2  1        1         1       P3   total  0.008499  0.001134
-4       2  1  1        1         1       P0   total  0.088389  0.008061
-5       2  1  1        1         1       P1   total  0.029924  0.002980
-6       2  1  1        1         1       P2   total  0.016754  0.001463
-7       2  1  1        1         1       P3   total  0.009139  0.000863
-12      2  2  1        1         1       P0   total  0.088880  0.008076
-13      2  2  1        1         1       P1   total  0.029838  0.002912
-14      2  2  1        1         1       P2   total  0.016489  0.001781
-15      2  2  1        1         1       P3   total  0.009787  0.000889
+0       1  1  1        1         1       P0   total  0.090131  0.008782
+1       1  1  1        1         1       P1   total  0.030617  0.002905
+2       1  1  1        1         1       P2   total  0.016492  0.001581
+3       1  1  1        1         1       P3   total  0.010164  0.001154
+8       1  2  1        1         1       P0   total  0.090661  0.006820
+9       1  2  1        1         1       P1   total  0.027875  0.002174
+10      1  2  1        1         1       P2   total  0.016810  0.001267
+11      1  2  1        1         1       P3   total  0.009376  0.000906
+4       2  1  1        1         1       P0   total  0.090199  0.007385
+5       2  1  1        1         1       P1   total  0.029391  0.002669
+6       2  1  1        1         1       P2   total  0.015962  0.001295
+7       2  1  1        1         1       P3   total  0.008419  0.000686
+12      2  2  1        1         1       P0   total  0.089704  0.005591
+13      2  2  1        1         1       P1   total  0.030020  0.001856
+14      2  2  1        1         1       P2   total  0.015772  0.001536
+15      2  2  1        1         1       P3   total  0.008961  0.000629
   mesh 1       group out nuclide mean std. dev.
        x  y  z                                 
-0      1  1  1         1   total  1.0  0.088672
-2      1  2  1         1   total  1.0  0.069731
-1      2  1  1         1   total  1.0  0.109718
-3      2  2  1         1   total  1.0  0.108376
+0      1  1  1         1   total  1.0  0.098093
+2      1  2  1         1   total  1.0  0.042346
+1      2  1  1         1   total  1.0  0.104352
+3      2  2  1         1   total  1.0  0.067889
   mesh 1       group out nuclide mean std. dev.
        x  y  z                                 
-0      1  1  1         1   total  1.0  0.091154
-2      1  2  1         1   total  1.0  0.069438
-1      2  1  1         1   total  1.0  0.109233
-3      2  2  1         1   total  1.0  0.108119
+0      1  1  1         1   total  1.0  0.099401
+2      1  2  1         1   total  1.0  0.042085
+1      2  1  1         1   total  1.0  0.104135
+3      2  2  1         1   total  1.0  0.067307
   mesh 1       group in nuclide          mean     std. dev.
        x  y  z                                             
-0      1  1  1        1   total  8.424136e-10  3.612697e-11
-2      1  2  1        1   total  8.884166e-10  6.324091e-11
-1      2  1  1        1   total  8.415613e-10  4.520088e-11
-3      2  2  1        1   total  8.557929e-10  2.898037e-11
+0      1  1  1        1   total  8.547713e-10  3.477664e-11
+2      1  2  1        1   total  9.057083e-10  4.171858e-11
+1      2  1  1        1   total  8.666731e-10  2.371072e-11
+3      2  2  1        1   total  8.532016e-10  1.638929e-11
   mesh 1       group in nuclide      mean std. dev.
        x  y  z                                     
-0      1  1  1        1   total  0.030724  0.001773
-2      1  2  1        1   total  0.032290  0.002188
-1      2  1  1        1   total  0.030172  0.001654
-3      2  2  1        1   total  0.030372  0.001661
+0      1  1  1        1   total  0.031163  0.001724
+2      1  2  1        1   total  0.030895  0.001664
+1      2  1  1        1   total  0.030973  0.001409
+3      2  2  1        1   total  0.031058  0.001358
   mesh 1       group in group out nuclide      mean std. dev.
        x  y  z                                               
-0      1  1  1        1         1   total  0.031468  0.002273
-2      1  2  1        1         1   total  0.032418  0.002330
-1      2  1  1        1         1   total  0.030706  0.002559
-3      2  2  1        1         1   total  0.029134  0.002487
+0      1  1  1        1         1   total  0.031781  0.002541
+2      1  2  1        1         1   total  0.032490  0.001487
+1      2  1  1        1         1   total  0.030274  0.002354
+3      2  2  1        1         1   total  0.030882  0.001500
    mesh 1               group in nuclide    mean std. dev.
         x  y       surf                                   
-3       1  1   x-max in        1   total  0.1884  0.010255
-2       1  1  x-max out        1   total  0.1798  0.009646
+3       1  1   x-max in        1   total  0.1888  0.008218
+2       1  1  x-max out        1   total  0.1828  0.008212
 1       1  1   x-min in        1   total  0.0000  0.000000
 0       1  1  x-min out        1   total  0.0000  0.000000
-7       1  1   y-max in        1   total  0.1822  0.014739
-6       1  1  y-max out        1   total  0.1806  0.019423
+7       1  1   y-max in        1   total  0.1820  0.012534
+6       1  1  y-max out        1   total  0.1794  0.015302
 5       1  1   y-min in        1   total  0.0000  0.000000
 4       1  1  y-min out        1   total  0.0000  0.000000
-19      1  2   x-max in        1   total  0.1780  0.012514
-18      1  2  x-max out        1   total  0.1886  0.014979
+19      1  2   x-max in        1   total  0.1870  0.011696
+18      1  2  x-max out        1   total  0.1850  0.012919
 17      1  2   x-min in        1   total  0.0000  0.000000
 16      1  2  x-min out        1   total  0.0000  0.000000
 23      1  2   y-max in        1   total  0.0000  0.000000
 22      1  2  y-max out        1   total  0.0000  0.000000
-21      1  2   y-min in        1   total  0.1806  0.019423
-20      1  2  y-min out        1   total  0.1822  0.014739
+21      1  2   y-min in        1   total  0.1794  0.015302
+20      1  2  y-min out        1   total  0.1820  0.012534
 11      2  1   x-max in        1   total  0.0000  0.000000
 10      2  1  x-max out        1   total  0.0000  0.000000
-9       2  1   x-min in        1   total  0.1798  0.009646
-8       2  1  x-min out        1   total  0.1884  0.010255
-15      2  1   y-max in        1   total  0.1812  0.009583
-14      2  1  y-max out        1   total  0.1858  0.012018
+9       2  1   x-min in        1   total  0.1828  0.008212
+8       2  1  x-min out        1   total  0.1888  0.008218
+15      2  1   y-max in        1   total  0.1850  0.011256
+14      2  1  y-max out        1   total  0.1870  0.009597
 13      2  1   y-min in        1   total  0.0000  0.000000
 12      2  1  y-min out        1   total  0.0000  0.000000
 27      2  2   x-max in        1   total  0.0000  0.000000
 26      2  2  x-max out        1   total  0.0000  0.000000
-25      2  2   x-min in        1   total  0.1886  0.014979
-24      2  2  x-min out        1   total  0.1780  0.012514
+25      2  2   x-min in        1   total  0.1850  0.012919
+24      2  2  x-min out        1   total  0.1870  0.011696
 31      2  2   y-max in        1   total  0.0000  0.000000
 30      2  2  y-max out        1   total  0.0000  0.000000
-29      2  2   y-min in        1   total  0.1858  0.012018
-28      2  2  y-min out        1   total  0.1812  0.009583
+29      2  2   y-min in        1   total  0.1870  0.009597
+28      2  2  y-min out        1   total  0.1850  0.011256
   mesh 1       group in nuclide      mean std. dev.
        x  y  z                                     
-0      1  1  1        1   total  4.539911  0.323493
-2      1  2  1        1   total  4.278655  0.425575
-1      2  1  1        1   total  4.674097  0.339600
-3      2  2  1        1   total  4.630700  0.312366
+0      1  1  1        1   total  4.581283  0.329623
+2      1  2  1        1   total  4.452968  0.295762
+1      2  1  1        1   total  4.469295  0.239674
+3      2  2  1        1   total  4.570894  0.218416
   mesh 1       group in nuclide      mean std. dev.
        x  y  z                                     
-0      1  1  1        1   total  4.538654  0.323497
-2      1  2  1        1   total  4.278494  0.425550
-1      2  1  1        1   total  4.674097  0.339600
-3      2  2  1        1   total  4.634259  0.313464
+0      1  1  1        1   total  4.580746  0.329583
+2      1  2  1        1   total  4.452519  0.295716
+1      2  1  1        1   total  4.468066  0.239680
+3      2  2  1        1   total  4.573657  0.219069
    mesh 1       delayedgroup group in nuclide      mean     std. dev.
         x  y  z                                                      
-0       1  1  1            1        1   total  0.000007  3.997262e-07
-1       1  1  1            2        1   total  0.000035  2.063264e-06
-2       1  1  1            3        1   total  0.000034  1.969771e-06
-3       1  1  1            4        1   total  0.000075  4.416388e-06
-4       1  1  1            5        1   total  0.000031  1.810657e-06
-5       1  1  1            6        1   total  0.000013  7.584779e-07
-12      1  2  1            1        1   total  0.000007  4.931656e-07
-13      1  2  1            2        1   total  0.000037  2.545569e-06
-14      1  2  1            3        1   total  0.000035  2.430221e-06
-15      1  2  1            4        1   total  0.000079  5.448757e-06
-16      1  2  1            5        1   total  0.000032  2.233913e-06
-17      1  2  1            6        1   total  0.000014  9.357785e-07
-6       2  1  1            1        1   total  0.000007  3.618632e-07
-7       2  1  1            2        1   total  0.000035  1.867826e-06
-8       2  1  1            3        1   total  0.000033  1.783189e-06
-9       2  1  1            4        1   total  0.000074  3.998058e-06
-10      2  1  1            5        1   total  0.000030  1.639147e-06
-11      2  1  1            6        1   total  0.000013  6.866331e-07
-18      2  2  1            1        1   total  0.000007  3.603080e-07
-19      2  2  1            2        1   total  0.000035  1.859799e-06
-20      2  2  1            3        1   total  0.000033  1.775526e-06
-21      2  2  1            4        1   total  0.000075  3.980875e-06
-22      2  2  1            5        1   total  0.000031  1.632103e-06
-23      2  2  1            6        1   total  0.000013  6.836821e-07
+0       1  1  1            1        1   total  0.000007  3.812309e-07
+1       1  1  1            2        1   total  0.000036  1.967797e-06
+2       1  1  1            3        1   total  0.000034  1.878630e-06
+3       1  1  1            4        1   total  0.000077  4.212043e-06
+4       1  1  1            5        1   total  0.000031  1.726878e-06
+5       1  1  1            6        1   total  0.000013  7.233832e-07
+12      1  2  1            1        1   total  0.000007  3.663985e-07
+13      1  2  1            2        1   total  0.000035  1.891236e-06
+14      1  2  1            3        1   total  0.000034  1.805539e-06
+15      1  2  1            4        1   total  0.000076  4.048166e-06
+16      1  2  1            5        1   total  0.000031  1.659691e-06
+17      1  2  1            6        1   total  0.000013  6.952388e-07
+6       2  1  1            1        1   total  0.000007  3.123173e-07
+7       2  1  1            2        1   total  0.000035  1.612086e-06
+8       2  1  1            3        1   total  0.000034  1.539037e-06
+9       2  1  1            4        1   total  0.000076  3.450649e-06
+10      2  1  1            5        1   total  0.000031  1.414717e-06
+11      2  1  1            6        1   total  0.000013  5.926201e-07
+18      2  2  1            1        1   total  0.000007  2.946716e-07
+19      2  2  1            2        1   total  0.000036  1.521004e-06
+20      2  2  1            3        1   total  0.000034  1.452083e-06
+21      2  2  1            4        1   total  0.000076  3.255689e-06
+22      2  2  1            5        1   total  0.000031  1.334787e-06
+23      2  2  1            6        1   total  0.000013  5.591374e-07
    mesh 1       delayedgroup group out nuclide mean std. dev.
         x  y  z                                              
-0       1  1  1            1         1   total  0.0  0.000000
-1       1  1  1            2         1   total  1.0  0.866877
-2       1  1  1            3         1   total  1.0  0.866877
-3       1  1  1            4         1   total  1.0  1.414214
-4       1  1  1            5         1   total  1.0  1.414214
+0       1  1  1            1         1   total  1.0  1.414214
+1       1  1  1            2         1   total  0.0  0.000000
+2       1  1  1            3         1   total  0.0  0.000000
+3       1  1  1            4         1   total  1.0  0.578922
+4       1  1  1            5         1   total  0.0  0.000000
 5       1  1  1            6         1   total  0.0  0.000000
 12      1  2  1            1         1   total  0.0  0.000000
-13      1  2  1            2         1   total  0.0  0.000000
-14      1  2  1            3         1   total  0.0  0.000000
-15      1  2  1            4         1   total  1.0  0.579346
-16      1  2  1            5         1   total  1.0  1.414214
+13      1  2  1            2         1   total  1.0  0.578922
+14      1  2  1            3         1   total  1.0  1.414214
+15      1  2  1            4         1   total  1.0  1.414214
+16      1  2  1            5         1   total  1.0  0.875472
 17      1  2  1            6         1   total  1.0  1.414214
-6       2  1  1            1         1   total  1.0  1.414214
-7       2  1  1            2         1   total  1.0  1.414214
-8       2  1  1            3         1   total  1.0  0.874781
-9       2  1  1            4         1   total  0.0  0.000000
-10      2  1  1            5         1   total  0.0  0.000000
+6       2  1  1            1         1   total  0.0  0.000000
+7       2  1  1            2         1   total  0.0  0.000000
+8       2  1  1            3         1   total  1.0  1.414214
+9       2  1  1            4         1   total  1.0  0.579392
+10      2  1  1            5         1   total  1.0  1.414214
 11      2  1  1            6         1   total  0.0  0.000000
-18      2  2  1            1         1   total  1.0  1.414214
-19      2  2  1            2         1   total  1.0  0.867902
-20      2  2  1            3         1   total  1.0  1.414214
-21      2  2  1            4         1   total  1.0  1.414214
+18      2  2  1            1         1   total  1.0  0.868163
+19      2  2  1            2         1   total  1.0  1.414214
+20      2  2  1            3         1   total  0.0  0.000000
+21      2  2  1            4         1   total  1.0  0.868969
 22      2  2  1            5         1   total  1.0  1.414214
 23      2  2  1            6         1   total  0.0  0.000000
    mesh 1       delayedgroup group in nuclide      mean std. dev.
         x  y  z                                                  
-0       1  1  1            1        1   total  0.000221  0.000016
-1       1  1  1            2        1   total  0.001138  0.000084
-2       1  1  1            3        1   total  0.001087  0.000080
-3       1  1  1            4        1   total  0.002437  0.000180
-4       1  1  1            5        1   total  0.000999  0.000074
-5       1  1  1            6        1   total  0.000418  0.000031
-12      1  2  1            1        1   total  0.000221  0.000014
-13      1  2  1            2        1   total  0.001138  0.000073
-14      1  2  1            3        1   total  0.001087  0.000069
-15      1  2  1            4        1   total  0.002436  0.000155
-16      1  2  1            5        1   total  0.000999  0.000064
-17      1  2  1            6        1   total  0.000418  0.000027
-6       2  1  1            1        1   total  0.000220  0.000014
-7       2  1  1            2        1   total  0.001137  0.000070
-8       2  1  1            3        1   total  0.001086  0.000067
-9       2  1  1            4        1   total  0.002435  0.000150
-10      2  1  1            5        1   total  0.000998  0.000062
-11      2  1  1            6        1   total  0.000418  0.000026
-18      2  2  1            1        1   total  0.000221  0.000015
-19      2  2  1            2        1   total  0.001141  0.000078
-20      2  2  1            3        1   total  0.001089  0.000074
-21      2  2  1            4        1   total  0.002442  0.000167
-22      2  2  1            5        1   total  0.001001  0.000068
-23      2  2  1            6        1   total  0.000419  0.000029
+0       1  1  1            1        1   total  0.000221  0.000015
+1       1  1  1            2        1   total  0.001140  0.000079
+2       1  1  1            3        1   total  0.001088  0.000075
+3       1  1  1            4        1   total  0.002440  0.000169
+4       1  1  1            5        1   total  0.001001  0.000069
+5       1  1  1            6        1   total  0.000419  0.000029
+12      1  2  1            1        1   total  0.000221  0.000013
+13      1  2  1            2        1   total  0.001139  0.000066
+14      1  2  1            3        1   total  0.001088  0.000063
+15      1  2  1            4        1   total  0.002439  0.000142
+16      1  2  1            5        1   total  0.001000  0.000058
+17      1  2  1            6        1   total  0.000419  0.000024
+6       2  1  1            1        1   total  0.000220  0.000013
+7       2  1  1            2        1   total  0.001138  0.000067
+8       2  1  1            3        1   total  0.001086  0.000064
+9       2  1  1            4        1   total  0.002435  0.000144
+10      2  1  1            5        1   total  0.000998  0.000059
+11      2  1  1            6        1   total  0.000418  0.000025
+18      2  2  1            1        1   total  0.000221  0.000013
+19      2  2  1            2        1   total  0.001141  0.000066
+20      2  2  1            3        1   total  0.001090  0.000063
+21      2  2  1            4        1   total  0.002443  0.000141
+22      2  2  1            5        1   total  0.001002  0.000058
+23      2  2  1            6        1   total  0.000420  0.000024
    mesh 1       delayedgroup nuclide      mean std. dev.
         x  y  z                                         
-0       1  1  1            1   total  0.013336  0.000997
-1       1  1  1            2   total  0.032739  0.002447
-2       1  1  1            3   total  0.120780  0.009028
-3       1  1  1            4   total  0.302780  0.022633
-4       1  1  1            5   total  0.849490  0.063500
-5       1  1  1            6   total  2.853000  0.213262
-12      1  2  1            1   total  0.013336  0.000866
-13      1  2  1            2   total  0.032739  0.002126
-14      1  2  1            3   total  0.120780  0.007843
-15      1  2  1            4   total  0.302780  0.019661
-16      1  2  1            5   total  0.849490  0.055163
-17      1  2  1            6   total  2.853000  0.185263
-6       2  1  1            1   total  0.013336  0.000814
-7       2  1  1            2   total  0.032739  0.001999
-8       2  1  1            3   total  0.120780  0.007373
-9       2  1  1            4   total  0.302780  0.018483
-10      2  1  1            5   total  0.849490  0.051857
-11      2  1  1            6   total  2.853000  0.174163
-18      2  2  1            1   total  0.013336  0.000896
-19      2  2  1            2   total  0.032739  0.002200
-20      2  2  1            3   total  0.120780  0.008117
-21      2  2  1            4   total  0.302780  0.020349
-22      2  2  1            5   total  0.849490  0.057091
-23      2  2  1            6   total  2.853000  0.191738
+0       1  1  1            1   total  0.013336  0.000919
+1       1  1  1            2   total  0.032739  0.002257
+2       1  1  1            3   total  0.120780  0.008325
+3       1  1  1            4   total  0.302780  0.020871
+4       1  1  1            5   total  0.849490  0.058555
+5       1  1  1            6   total  2.853000  0.196656
+12      1  2  1            1   total  0.013336  0.000770
+13      1  2  1            2   total  0.032739  0.001891
+14      1  2  1            3   total  0.120780  0.006977
+15      1  2  1            4   total  0.302780  0.017490
+16      1  2  1            5   total  0.849490  0.049071
+17      1  2  1            6   total  2.853000  0.164804
+6       2  1  1            1   total  0.013336  0.000790
+7       2  1  1            2   total  0.032739  0.001940
+8       2  1  1            3   total  0.120780  0.007157
+9       2  1  1            4   total  0.302780  0.017942
+10      2  1  1            5   total  0.849490  0.050338
+11      2  1  1            6   total  2.853000  0.169061
+18      2  2  1            1   total  0.013336  0.000757
+19      2  2  1            2   total  0.032739  0.001858
+20      2  2  1            3   total  0.120780  0.006855
+21      2  2  1            4   total  0.302780  0.017186
+22      2  2  1            5   total  0.849490  0.048217
+23      2  2  1            6   total  2.853000  0.161935
    mesh 1       delayedgroup group in group out nuclide      mean std. dev.
         x  y  z                                                            
-0       1  1  1            1        1         1   total  0.000000  0.000000
-1       1  1  1            2        1         1   total  0.000056  0.000034
-2       1  1  1            3        1         1   total  0.000056  0.000034
-3       1  1  1            4        1         1   total  0.000029  0.000029
-4       1  1  1            5        1         1   total  0.000026  0.000026
+0       1  1  1            1        1         1   total  0.000026  0.000026
+1       1  1  1            2        1         1   total  0.000000  0.000000
+2       1  1  1            3        1         1   total  0.000000  0.000000
+3       1  1  1            4        1         1   total  0.000083  0.000034
+4       1  1  1            5        1         1   total  0.000000  0.000000
 5       1  1  1            6        1         1   total  0.000000  0.000000
 12      1  2  1            1        1         1   total  0.000000  0.000000
-13      1  2  1            2        1         1   total  0.000000  0.000000
-14      1  2  1            3        1         1   total  0.000000  0.000000
-15      1  2  1            4        1         1   total  0.000079  0.000033
-16      1  2  1            5        1         1   total  0.000032  0.000032
-17      1  2  1            6        1         1   total  0.000032  0.000032
-6       2  1  1            1        1         1   total  0.000029  0.000029
-7       2  1  1            2        1         1   total  0.000027  0.000027
-8       2  1  1            3        1         1   total  0.000058  0.000036
-9       2  1  1            4        1         1   total  0.000000  0.000000
-10      2  1  1            5        1         1   total  0.000000  0.000000
+13      1  2  1            2        1         1   total  0.000081  0.000033
+14      1  2  1            3        1         1   total  0.000026  0.000026
+15      1  2  1            4        1         1   total  0.000026  0.000026
+16      1  2  1            5        1         1   total  0.000059  0.000036
+17      1  2  1            6        1         1   total  0.000033  0.000033
+6       2  1  1            1        1         1   total  0.000000  0.000000
+7       2  1  1            2        1         1   total  0.000000  0.000000
+8       2  1  1            3        1         1   total  0.000032  0.000032
+9       2  1  1            4        1         1   total  0.000080  0.000033
+10      2  1  1            5        1         1   total  0.000028  0.000028
 11      2  1  1            6        1         1   total  0.000000  0.000000
-18      2  2  1            1        1         1   total  0.000027  0.000027
-19      2  2  1            2        1         1   total  0.000056  0.000035
-20      2  2  1            3        1         1   total  0.000028  0.000028
-21      2  2  1            4        1         1   total  0.000030  0.000030
-22      2  2  1            5        1         1   total  0.000033  0.000033
+18      2  2  1            1        1         1   total  0.000054  0.000033
+19      2  2  1            2        1         1   total  0.000029  0.000029
+20      2  2  1            3        1         1   total  0.000000  0.000000
+21      2  2  1            4        1         1   total  0.000054  0.000033
+22      2  2  1            5        1         1   total  0.000032  0.000032
 23      2  2  1            6        1         1   total  0.000000  0.000000
diff --git a/tests/regression_tests/mgxs_library_no_nuclides/results_true.dat b/tests/regression_tests/mgxs_library_no_nuclides/results_true.dat
index c0dba7c0f..aec8e8bbc 100644
--- a/tests/regression_tests/mgxs_library_no_nuclides/results_true.dat
+++ b/tests/regression_tests/mgxs_library_no_nuclides/results_true.dat
@@ -1,227 +1,227 @@
 total
    material  group in nuclide      mean  std. dev.
-1         1         1   total  0.413814   0.018434
-0         1         2   total  0.663001   0.012535
+1         1         1   total  0.422772   0.014069
+0         1         2   total  0.661309   0.049458
 transport
    material  group in nuclide      mean  std. dev.
-1         1         1   total  0.369730   0.019494
-0         1         2   total  0.643777   0.018246
+1         1         1   total  0.383831   0.015331
+0         1         2   total  0.679181   0.050786
 nu-transport
    material  group in nuclide      mean  std. dev.
-1         1         1   total  0.369730   0.019494
-0         1         2   total  0.643777   0.018246
+1         1         1   total  0.383831   0.015331
+0         1         2   total  0.679181   0.050786
 absorption
    material  group in nuclide      mean  std. dev.
-1         1         1   total  0.026013   0.001851
-0         1         2   total  0.267233   0.007475
+1         1         1   total  0.027181   0.001539
+0         1         2   total  0.265559   0.020699
 reduced absorption
    material  group in nuclide      mean  std. dev.
-1         1         1   total  0.025932   0.001850
-0         1         2   total  0.267233   0.007475
+1         1         1   total  0.027162   0.001538
+0         1         2   total  0.265559   0.020699
 capture
    material  group in nuclide      mean  std. dev.
-1         1         1   total  0.018869   0.001758
-0         1         2   total  0.072358   0.008204
+1         1         1   total  0.019717   0.001492
+0         1         2   total  0.072029   0.019378
 fission
    material  group in nuclide      mean  std. dev.
-1         1         1   total  0.007144   0.000317
-0         1         2   total  0.194875   0.005528
+1         1         1   total  0.007464   0.000222
+0         1         2   total  0.193530   0.015119
 nu-fission
    material  group in nuclide      mean  std. dev.
-1         1         1   total  0.018243   0.000827
-0         1         2   total  0.474851   0.013471
+1         1         1   total  0.018925   0.000543
+0         1         2   total  0.471574   0.036840
 kappa-fission
    material  group in nuclide          mean     std. dev.
-1         1         1   total  1.391782e+06  6.192598e+04
-0         1         2   total  3.768981e+07  1.069211e+06
+1         1         1   total  1.453014e+06  4.287190e+04
+0         1         2   total  3.742974e+07  2.924022e+06
 scatter
    material  group in nuclide      mean  std. dev.
-1         1         1   total  0.387802   0.017462
-0         1         2   total  0.395768   0.007541
+1         1         1   total  0.395591   0.013417
+0         1         2   total  0.395750   0.029309
 nu-scatter
    material  group in nuclide      mean  std. dev.
-1         1         1   total  0.387032   0.024325
-0         1         2   total  0.407651   0.016266
+1         1         1   total  0.392941   0.019689
+0         1         2   total  0.396262   0.027471
 scatter matrix
     material  group in  group out legendre nuclide      mean  std. dev.
-12         1         1          1       P0   total  0.386336   0.024297
-13         1         1          1       P1   total  0.044084   0.006343
-14         1         1          1       P2   total  0.027336   0.006403
-15         1         1          1       P3   total  0.011672   0.004897
-8          1         1          2       P0   total  0.000695   0.000327
-9          1         1          2       P1   total -0.000359   0.000201
-10         1         1          2       P2   total -0.000047   0.000081
-11         1         1          2       P3   total  0.000239   0.000099
+12         1         1          1       P0   total  0.392419   0.019837
+13         1         1          1       P1   total  0.038941   0.006089
+14         1         1          1       P2   total  0.019512   0.003548
+15         1         1          1       P3   total  0.012951   0.002399
+8          1         1          2       P0   total  0.000522   0.000349
+9          1         1          2       P1   total -0.000301   0.000185
+10         1         1          2       P2   total  0.000045   0.000147
+11         1         1          2       P3   total  0.000069   0.000162
 4          1         2          1       P0   total  0.000000   0.000000
 5          1         2          1       P1   total  0.000000   0.000000
 6          1         2          1       P2   total  0.000000   0.000000
 7          1         2          1       P3   total  0.000000   0.000000
-0          1         2          2       P0   total  0.407651   0.016266
-1          1         2          2       P1   total  0.021192   0.013171
-2          1         2          2       P2   total  0.010327   0.017230
-3          1         2          2       P3   total  0.005148   0.013732
+0          1         2          2       P0   total  0.396262   0.027471
+1          1         2          2       P1   total -0.016133   0.010911
+2          1         2          2       P2   total -0.001147   0.010536
+3          1         2          2       P3   total  0.005359   0.008143
 nu-scatter matrix
     material  group in  group out legendre nuclide      mean  std. dev.
-12         1         1          1       P0   total  0.386336   0.024297
-13         1         1          1       P1   total  0.044084   0.006343
-14         1         1          1       P2   total  0.027336   0.006403
-15         1         1          1       P3   total  0.011672   0.004897
-8          1         1          2       P0   total  0.000695   0.000327
-9          1         1          2       P1   total -0.000359   0.000201
-10         1         1          2       P2   total -0.000047   0.000081
-11         1         1          2       P3   total  0.000239   0.000099
+12         1         1          1       P0   total  0.392419   0.019837
+13         1         1          1       P1   total  0.038941   0.006089
+14         1         1          1       P2   total  0.019512   0.003548
+15         1         1          1       P3   total  0.012951   0.002399
+8          1         1          2       P0   total  0.000522   0.000349
+9          1         1          2       P1   total -0.000301   0.000185
+10         1         1          2       P2   total  0.000045   0.000147
+11         1         1          2       P3   total  0.000069   0.000162
 4          1         2          1       P0   total  0.000000   0.000000
 5          1         2          1       P1   total  0.000000   0.000000
 6          1         2          1       P2   total  0.000000   0.000000
 7          1         2          1       P3   total  0.000000   0.000000
-0          1         2          2       P0   total  0.407651   0.016266
-1          1         2          2       P1   total  0.021192   0.013171
-2          1         2          2       P2   total  0.010327   0.017230
-3          1         2          2       P3   total  0.005148   0.013732
+0          1         2          2       P0   total  0.396262   0.027471
+1          1         2          2       P1   total -0.016133   0.010911
+2          1         2          2       P2   total -0.001147   0.010536
+3          1         2          2       P3   total  0.005359   0.008143
 multiplicity matrix
    material  group in  group out nuclide  mean  std. dev.
-3         1         1          1   total   1.0   0.064268
-2         1         1          2   total   1.0   0.661438
+3         1         1          1   total   1.0   0.054620
+2         1         1          2   total   1.0   0.942809
 1         1         2          1   total   0.0   0.000000
-0         1         2          2   total   1.0   0.050545
+0         1         2          2   total   1.0   0.080341
 nu-fission matrix
    material  group in  group out nuclide      mean  std. dev.
-3         1         1          1   total  0.024633   0.002205
+3         1         1          1   total  0.019257   0.001831
 2         1         1          2   total  0.000000   0.000000
-1         1         2          1   total  0.435159   0.014743
+1         1         2          1   total  0.459401   0.022054
 0         1         2          2   total  0.000000   0.000000
 scatter probability matrix
    material  group in  group out nuclide      mean  std. dev.
-3         1         1          1   total  0.998203   0.064101
-2         1         1          2   total  0.001797   0.000844
+3         1         1          1   total  0.998671   0.054518
+2         1         1          2   total  0.001329   0.000888
 1         1         2          1   total  0.000000   0.000000
-0         1         2          2   total  1.000000   0.050545
+0         1         2          2   total  1.000000   0.080341
 consistent scatter matrix
     material  group in  group out legendre nuclide      mean  std. dev.
-12         1         1          1       P0   total  0.387105   0.030361
-13         1         1          1       P1   total  0.044172   0.006684
-14         1         1          1       P2   total  0.027391   0.006543
-15         1         1          1       P3   total  0.011695   0.004937
-8          1         1          2       P0   total  0.000697   0.000329
-9          1         1          2       P1   total -0.000360   0.000202
-10         1         1          2       P2   total -0.000047   0.000082
-11         1         1          2       P3   total  0.000239   0.000100
+12         1         1          1       P0   total  0.395065   0.025390
+13         1         1          1       P1   total  0.039204   0.006325
+14         1         1          1       P2   total  0.019644   0.003656
+15         1         1          1       P3   total  0.013039   0.002470
+8          1         1          2       P0   total  0.000526   0.000352
+9          1         1          2       P1   total -0.000303   0.000186
+10         1         1          2       P2   total  0.000045   0.000148
+11         1         1          2       P3   total  0.000069   0.000163
 4          1         2          1       P0   total  0.000000   0.000000
 5          1         2          1       P1   total  0.000000   0.000000
 6          1         2          1       P2   total  0.000000   0.000000
 7          1         2          1       P3   total  0.000000   0.000000
-0          1         2          2       P0   total  0.395768   0.021378
-1          1         2          2       P1   total  0.020575   0.012809
-2          1         2          2       P2   total  0.010026   0.016732
-3          1         2          2       P3   total  0.004998   0.013333
+0          1         2          2       P0   total  0.395750   0.043243
+1          1         2          2       P1   total -0.016112   0.010982
+2          1         2          2       P2   total -0.001146   0.010523
+3          1         2          2       P3   total  0.005353   0.008145
 consistent nu-scatter matrix
     material  group in  group out legendre nuclide      mean  std. dev.
-12         1         1          1       P0   total  0.387105   0.039252
-13         1         1          1       P1   total  0.044172   0.007262
-14         1         1          1       P2   total  0.027391   0.006776
-15         1         1          1       P3   total  0.011695   0.004994
-8          1         1          2       P0   total  0.000697   0.000566
-9          1         1          2       P1   total -0.000360   0.000313
-10         1         1          2       P2   total -0.000047   0.000087
-11         1         1          2       P3   total  0.000239   0.000187
+12         1         1          1       P0   total  0.395065   0.033321
+13         1         1          1       P1   total  0.039204   0.006677
+14         1         1          1       P2   total  0.019644   0.003810
+15         1         1          1       P3   total  0.013039   0.002571
+8          1         1          2       P0   total  0.000526   0.000608
+9          1         1          2       P1   total -0.000303   0.000341
+10         1         1          2       P2   total  0.000045   0.000154
+11         1         1          2       P3   total  0.000069   0.000175
 4          1         2          1       P0   total  0.000000   0.000000
 5          1         2          1       P1   total  0.000000   0.000000
 6          1         2          1       P2   total  0.000000   0.000000
 7          1         2          1       P3   total  0.000000   0.000000
-0          1         2          2       P0   total  0.395768   0.029278
-1          1         2          2       P1   total  0.020575   0.012851
-2          1         2          2       P2   total  0.010026   0.016739
-3          1         2          2       P3   total  0.004998   0.013335
+0          1         2          2       P0   total  0.395750   0.053673
+1          1         2          2       P1   total -0.016112   0.011058
+2          1         2          2       P2   total -0.001146   0.010523
+3          1         2          2       P3   total  0.005353   0.008157
 chi
    material  group out nuclide  mean  std. dev.
-1         1          1   total   1.0   0.039887
+1         1          1   total   1.0   0.015644
 0         1          2   total   0.0   0.000000
 chi-prompt
    material  group out nuclide  mean  std. dev.
-1         1          1   total   1.0   0.039887
+1         1          1   total   1.0   0.017529
 0         1          2   total   0.0   0.000000
 inverse-velocity
    material  group in nuclide          mean     std. dev.
-1         1         1   total  5.956290e-08  2.255751e-09
-0         1         2   total  2.886630e-06  7.418452e-08
+1         1         1   total  6.047675e-08  4.367288e-09
+0         1         2   total  2.861927e-06  2.241423e-07
 prompt-nu-fission
    material  group in nuclide      mean  std. dev.
-1         1         1   total  0.018067   0.000817
-0         1         2   total  0.471762   0.013383
+1         1         1   total  0.018748    0.00054
+0         1         2   total  0.468507    0.03660
 prompt-nu-fission matrix
    material  group in  group out nuclide      mean  std. dev.
-3         1         1          1   total  0.024633   0.002205
+3         1         1          1   total  0.019049   0.001675
 2         1         1          2   total  0.000000   0.000000
-1         1         2          1   total  0.435159   0.014743
+1         1         2          1   total  0.454399   0.022578
 0         1         2          2   total  0.000000   0.000000
 diffusion-coefficient
    material  group in nuclide      mean  std. dev.
-1         1         1   total  0.901559   0.047536
-0         1         2   total  0.517778   0.014675
+1         1         1   total  0.868438   0.034686
+0         1         2   total  0.490787   0.036698
 nu-diffusion-coefficient
    material  group in nuclide      mean  std. dev.
-1         1         1   total  0.901559   0.047536
-0         1         2   total  0.517778   0.014675
+1         1         1   total  0.868438   0.034686
+0         1         2   total  0.490787   0.036698
 (n,elastic)
    material  group in nuclide      mean  std. dev.
-1         1         1   total  0.360179   0.016169
-0         1         2   total  0.395768   0.007541
+1         1         1   total  0.368341   0.013033
+0         1         2   total  0.395750   0.029309
 (n,level)
    material  group in nuclide      mean  std. dev.
-1         1         1   total  0.000568   0.000028
+1         1         1   total  0.000518   0.000016
 0         1         2   total  0.000000   0.000000
 (n,2n)
    material  group in nuclide      mean  std. dev.
-1         1         1   total  0.000079   0.000042
+1         1         1   total  0.000019   0.000012
 0         1         2   total  0.000000   0.000000
 (n,na)
-   material  group in nuclide          mean     std. dev.
-1         1         1   total  8.510945e-07  8.515320e-07
-0         1         2   total  0.000000e+00  0.000000e+00
+   material  group in nuclide  mean  std. dev.
+1         1         1   total   0.0        0.0
+0         1         2   total   0.0        0.0
 (n,nc)
    material  group in nuclide      mean  std. dev.
-1         1         1   total  0.008258   0.000928
+1         1         1   total  0.007599   0.000559
 0         1         2   total  0.000000   0.000000
 (n,gamma)
    material  group in nuclide      mean  std. dev.
-1         1         1   total  0.018749   0.001838
-0         1         2   total  0.072358   0.001951
+1         1         1   total  0.019608   0.001470
+0         1         2   total  0.072029   0.005584
 (n,a)
    material  group in nuclide      mean  std. dev.
-1         1         1   total  0.000119   0.000023
-0         1         2   total  0.000000   0.000000
+1         1         1   total  0.000109    0.00002
+0         1         2   total  0.000000    0.00000
 (n,Xa)
-   material  group in nuclide     mean  std. dev.
-1         1         1   total  0.00012   0.000022
-0         1         2   total  0.00000   0.000000
+   material  group in nuclide      mean  std. dev.
+1         1         1   total  0.000109    0.00002
+0         1         2   total  0.000000    0.00000
 heating
-   material  group in nuclide          mean      std. dev.
-1         1         1   total  1.216089e+06   54827.397330
-0         1         2   total  3.262993e+07  904277.817101
+   material  group in nuclide          mean     std. dev.
+1         1         1   total  1.270644e+06  3.732629e+04
+0         1         2   total  3.241569e+07  2.530346e+06
 damage-energy
    material  group in nuclide         mean   std. dev.
-1         1         1   total  2317.176742  165.734097
-0         1         2   total  1371.933922   38.919660
+1         1         1   total  2405.735342   79.042000
+0         1         2   total  1362.470597  106.435803
 (n,n1)
    material  group in nuclide      mean  std. dev.
-1         1         1   total  0.012055   0.000759
+1         1         1   total  0.011931   0.000455
 0         1         2   total  0.000000   0.000000
 (n,a0)
    material  group in nuclide      mean  std. dev.
-1         1         1   total  0.000109   0.000028
-0         1         2   total  0.000000   0.000000
+1         1         1   total  0.000108    0.00002
+0         1         2   total  0.000000    0.00000
 (n,nc) matrix
    material  group in  group out nuclide      mean  std. dev.
-3         1         1          1   total  0.009563   0.001002
+3         1         1          1   total  0.005745   0.001068
 2         1         1          2   total  0.000000   0.000000
 1         1         2          1   total  0.000000   0.000000
 0         1         2          2   total  0.000000   0.000000
 (n,n1) matrix
    material  group in  group out nuclide      mean  std. dev.
-3         1         1          1   total  0.013909    0.00145
-2         1         1          2   total  0.000000    0.00000
-1         1         2          1   total  0.000000    0.00000
-0         1         2          2   total  0.000000    0.00000
+3         1         1          1   total  0.013232   0.001025
+2         1         1          2   total  0.000000   0.000000
+1         1         2          1   total  0.000000   0.000000
+0         1         2          2   total  0.000000   0.000000
 (n,2n) matrix
    material  group in  group out nuclide  mean  std. dev.
 3         1         1          1   total   0.0        0.0
@@ -230,104 +230,104 @@ damage-energy
 0         1         2          2   total   0.0        0.0
 delayed-nu-fission
     material  delayedgroup  group in nuclide      mean     std. dev.
-1          1             1         1   total  0.000004  1.857100e-07
-3          1             2         1   total  0.000025  1.293123e-06
-5          1             3         1   total  0.000026  1.448812e-06
-7          1             4         1   total  0.000068  4.132525e-06
-9          1             5         1   total  0.000037  2.670208e-06
-11         1             6         1   total  0.000015  1.084541e-06
-0          1             1         2   total  0.000108  3.067510e-06
-2          1             2         2   total  0.000558  1.583355e-05
-4          1             3         2   total  0.000533  1.511609e-05
-6          1             4         2   total  0.001195  3.389154e-05
-8          1             5         2   total  0.000490  1.389508e-05
-10         1             6         2   total  0.000205  5.820598e-06
+1          1             1         1   total  0.000004  1.226367e-07
+3          1             2         1   total  0.000026  6.725093e-07
+5          1             3         1   total  0.000027  7.028316e-07
+7          1             4         1   total  0.000068  1.919534e-06
+9          1             5         1   total  0.000037  1.268939e-06
+11         1             6         1   total  0.000015  5.136452e-07
+0          1             1         2   total  0.000107  8.388866e-06
+2          1             2         2   total  0.000554  4.330076e-05
+4          1             3         2   total  0.000529  4.133869e-05
+6          1             4         2   total  0.001186  9.268481e-05
+8          1             5         2   total  0.000486  3.799954e-05
+10         1             6         2   total  0.000204  1.591787e-05
 chi-delayed
     material  delayedgroup  group out nuclide  mean  std. dev.
-1          1             1          1   total   0.0        0.0
-3          1             2          1   total   0.0        0.0
-5          1             3          1   total   0.0        0.0
-7          1             4          1   total   0.0        0.0
-9          1             5          1   total   0.0        0.0
-11         1             6          1   total   0.0        0.0
-0          1             1          2   total   0.0        0.0
-2          1             2          2   total   0.0        0.0
-4          1             3          2   total   0.0        0.0
-6          1             4          2   total   0.0        0.0
-8          1             5          2   total   0.0        0.0
-10         1             6          2   total   0.0        0.0
+1          1             1          1   total   0.0   0.000000
+3          1             2          1   total   0.0   0.000000
+5          1             3          1   total   0.0   0.000000
+7          1             4          1   total   1.0   0.433956
+9          1             5          1   total   0.0   0.000000
+11         1             6          1   total   0.0   0.000000
+0          1             1          2   total   0.0   0.000000
+2          1             2          2   total   0.0   0.000000
+4          1             3          2   total   0.0   0.000000
+6          1             4          2   total   0.0   0.000000
+8          1             5          2   total   0.0   0.000000
+10         1             6          2   total   0.0   0.000000
 beta
     material  delayedgroup  group in nuclide      mean  std. dev.
-1          1             1         1   total  0.000223   0.000009
-3          1             2         1   total  0.001375   0.000067
-5          1             3         1   total  0.001439   0.000076
-7          1             4         1   total  0.003724   0.000217
-9          1             5         1   total  0.002049   0.000142
-11         1             6         1   total  0.000840   0.000058
-0          1             1         2   total  0.000228   0.000008
-2          1             2         2   total  0.001175   0.000041
-4          1             3         2   total  0.001122   0.000040
-6          1             4         2   total  0.002516   0.000089
-8          1             5         2   total  0.001031   0.000036
-10         1             6         2   total  0.000432   0.000015
+1          1             1         1   total  0.000225   0.000006
+3          1             2         1   total  0.001359   0.000033
+5          1             3         1   total  0.001412   0.000034
+7          1             4         1   total  0.003611   0.000094
+9          1             5         1   total  0.001950   0.000064
+11         1             6         1   total  0.000801   0.000026
+0          1             1         2   total  0.000228   0.000019
+2          1             2         2   total  0.001175   0.000096
+4          1             3         2   total  0.001122   0.000092
+6          1             4         2   total  0.002516   0.000206
+8          1             5         2   total  0.001031   0.000085
+10         1             6         2   total  0.000432   0.000035
 decay-rate
    material  delayedgroup nuclide      mean  std. dev.
-0         1             1   total  0.013353   0.000379
-1         1             2   total  0.032612   0.001002
-2         1             3   total  0.121056   0.003938
-3         1             4   total  0.305642   0.010892
-4         1             5   total  0.860947   0.036893
-5         1             6   total  2.891708   0.122310
+0         1             1   total  0.013352   0.000905
+1         1             2   total  0.032619   0.002094
+2         1             3   total  0.121041   0.007464
+3         1             4   total  0.305491   0.017639
+4         1             5   total  0.860388   0.042833
+5         1             6   total  2.889807   0.145503
 delayed-nu-fission matrix
-    material  delayedgroup  group in  group out nuclide  mean  std. dev.
-3          1             1         1          1   total   0.0        0.0
-7          1             2         1          1   total   0.0        0.0
-11         1             3         1          1   total   0.0        0.0
-15         1             4         1          1   total   0.0        0.0
-19         1             5         1          1   total   0.0        0.0
-23         1             6         1          1   total   0.0        0.0
-2          1             1         1          2   total   0.0        0.0
-6          1             2         1          2   total   0.0        0.0
-10         1             3         1          2   total   0.0        0.0
-14         1             4         1          2   total   0.0        0.0
-18         1             5         1          2   total   0.0        0.0
-22         1             6         1          2   total   0.0        0.0
-1          1             1         2          1   total   0.0        0.0
-5          1             2         2          1   total   0.0        0.0
-9          1             3         2          1   total   0.0        0.0
-13         1             4         2          1   total   0.0        0.0
-17         1             5         2          1   total   0.0        0.0
-21         1             6         2          1   total   0.0        0.0
-0          1             1         2          2   total   0.0        0.0
-4          1             2         2          2   total   0.0        0.0
-8          1             3         2          2   total   0.0        0.0
-12         1             4         2          2   total   0.0        0.0
-16         1             5         2          2   total   0.0        0.0
-20         1             6         2          2   total   0.0        0.0
+    material  delayedgroup  group in  group out nuclide      mean  std. dev.
+3          1             1         1          1   total  0.000000   0.000000
+7          1             2         1          1   total  0.000000   0.000000
+11         1             3         1          1   total  0.000000   0.000000
+15         1             4         1          1   total  0.000207   0.000207
+19         1             5         1          1   total  0.000000   0.000000
+23         1             6         1          1   total  0.000000   0.000000
+2          1             1         1          2   total  0.000000   0.000000
+6          1             2         1          2   total  0.000000   0.000000
+10         1             3         1          2   total  0.000000   0.000000
+14         1             4         1          2   total  0.000000   0.000000
+18         1             5         1          2   total  0.000000   0.000000
+22         1             6         1          2   total  0.000000   0.000000
+1          1             1         2          1   total  0.000000   0.000000
+5          1             2         2          1   total  0.000000   0.000000
+9          1             3         2          1   total  0.000000   0.000000
+13         1             4         2          1   total  0.005002   0.001278
+17         1             5         2          1   total  0.000000   0.000000
+21         1             6         2          1   total  0.000000   0.000000
+0          1             1         2          2   total  0.000000   0.000000
+4          1             2         2          2   total  0.000000   0.000000
+8          1             3         2          2   total  0.000000   0.000000
+12         1             4         2          2   total  0.000000   0.000000
+16         1             5         2          2   total  0.000000   0.000000
+20         1             6         2          2   total  0.000000   0.000000
 total
    material  group in nuclide      mean  std. dev.
-1         2         1   total  0.313574   0.016009
-0         2         2   total  0.300858   0.005911
+1         2         1   total  0.320478   0.012201
+0         2         2   total  0.300681   0.029685
 transport
    material  group in nuclide      mean  std. dev.
-1         2         1   total  0.266154   0.017348
-0         2         2   total  0.300597   0.011062
+1         2         1   total  0.267653   0.015887
+0         2         2   total  0.327250   0.035614
 nu-transport
    material  group in nuclide      mean  std. dev.
-1         2         1   total  0.266154   0.017348
-0         2         2   total  0.300597   0.011062
+1         2         1   total  0.267653   0.015887
+0         2         2   total  0.327250   0.035614
 absorption
-   material  group in nuclide     mean  std. dev.
-1         2         1   total  0.00150   0.000118
-0         2         2   total  0.00542   0.000201
+   material  group in nuclide      mean  std. dev.
+1         2         1   total  0.001040   0.000121
+0         2         2   total  0.005284   0.000548
 reduced absorption
    material  group in nuclide      mean  std. dev.
-1         2         1   total  0.001481   0.000119
-0         2         2   total  0.005420   0.000201
+1         2         1   total  0.001040   0.000121
+0         2         2   total  0.005284   0.000548
 capture
-   material  group in nuclide     mean  std. dev.
-1         2         1   total  0.00150   0.000118
-0         2         2   total  0.00542   0.000201
+   material  group in nuclide      mean  std. dev.
+1         2         1   total  0.001040   0.000121
+0         2         2   total  0.005284   0.000548
 fission
    material  group in nuclide  mean  std. dev.
 1         2         1   total   0.0        0.0
@@ -342,18 +342,18 @@ kappa-fission
 0         2         2   total   0.0        0.0
 scatter
    material  group in nuclide      mean  std. dev.
-1         2         1   total  0.312074   0.015934
-0         2         2   total  0.295438   0.005743
+1         2         1   total  0.319438   0.012181
+0         2         2   total  0.295397   0.029142
 nu-scatter
    material  group in nuclide      mean  std. dev.
-1         2         1   total  0.318594   0.023203
-0         2         2   total  0.295662   0.031486
+1         2         1   total  0.314727   0.014272
+0         2         2   total  0.295807   0.038170
 scatter matrix
     material  group in  group out legendre nuclide      mean  std. dev.
-12         2         1          1       P0   total  0.318594   0.023203
-13         2         1          1       P1   total  0.047420   0.006684
-14         2         1          1       P2   total  0.029426   0.008048
-15         2         1          1       P3   total  0.007335   0.004092
+12         2         1          1       P0   total  0.314727   0.014272
+13         2         1          1       P1   total  0.052826   0.010175
+14         2         1          1       P2   total  0.033176   0.002264
+15         2         1          1       P3   total  0.006129   0.004317
 8          2         1          2       P0   total  0.000000   0.000000
 9          2         1          2       P1   total  0.000000   0.000000
 10         2         1          2       P2   total  0.000000   0.000000
@@ -362,16 +362,16 @@ scatter matrix
 5          2         2          1       P1   total  0.000000   0.000000
 6          2         2          1       P2   total  0.000000   0.000000
 7          2         2          1       P3   total  0.000000   0.000000
-0          2         2          2       P0   total  0.295662   0.031486
-1          2         2          2       P1   total  0.000261   0.009350
-2          2         2          2       P2   total -0.004912   0.007866
-3          2         2          2       P3   total -0.018278   0.012339
+0          2         2          2       P0   total  0.295807   0.038170
+1          2         2          2       P1   total -0.026569   0.019676
+2          2         2          2       P2   total -0.005395   0.007578
+3          2         2          2       P3   total -0.005680   0.012737
 nu-scatter matrix
     material  group in  group out legendre nuclide      mean  std. dev.
-12         2         1          1       P0   total  0.318594   0.023203
-13         2         1          1       P1   total  0.047420   0.006684
-14         2         1          1       P2   total  0.029426   0.008048
-15         2         1          1       P3   total  0.007335   0.004092
+12         2         1          1       P0   total  0.314727   0.014272
+13         2         1          1       P1   total  0.052826   0.010175
+14         2         1          1       P2   total  0.033176   0.002264
+15         2         1          1       P3   total  0.006129   0.004317
 8          2         1          2       P0   total  0.000000   0.000000
 9          2         1          2       P1   total  0.000000   0.000000
 10         2         1          2       P2   total  0.000000   0.000000
@@ -380,16 +380,16 @@ nu-scatter matrix
 5          2         2          1       P1   total  0.000000   0.000000
 6          2         2          1       P2   total  0.000000   0.000000
 7          2         2          1       P3   total  0.000000   0.000000
-0          2         2          2       P0   total  0.295662   0.031486
-1          2         2          2       P1   total  0.000261   0.009350
-2          2         2          2       P2   total -0.004912   0.007866
-3          2         2          2       P3   total -0.018278   0.012339
+0          2         2          2       P0   total  0.295807   0.038170
+1          2         2          2       P1   total -0.026569   0.019676
+2          2         2          2       P2   total -0.005395   0.007578
+3          2         2          2       P3   total -0.005680   0.012737
 multiplicity matrix
    material  group in  group out nuclide  mean  std. dev.
-3         2         1          1   total   1.0   0.071770
+3         2         1          1   total   1.0   0.043852
 2         2         1          2   total   0.0   0.000000
 1         2         2          1   total   0.0   0.000000
-0         2         2          2   total   1.0   0.103652
+0         2         2          2   total   1.0   0.139361
 nu-fission matrix
    material  group in  group out nuclide  mean  std. dev.
 3         2         1          1   total   0.0        0.0
@@ -398,16 +398,16 @@ nu-fission matrix
 0         2         2          2   total   0.0        0.0
 scatter probability matrix
    material  group in  group out nuclide  mean  std. dev.
-3         2         1          1   total   1.0   0.071770
+3         2         1          1   total   1.0   0.043852
 2         2         1          2   total   0.0   0.000000
 1         2         2          1   total   0.0   0.000000
-0         2         2          2   total   1.0   0.103652
+0         2         2          2   total   1.0   0.139361
 consistent scatter matrix
     material  group in  group out legendre nuclide      mean  std. dev.
-12         2         1          1       P0   total  0.312074   0.027487
-13         2         1          1       P1   total  0.046450   0.006939
-14         2         1          1       P2   total  0.028824   0.008012
-15         2         1          1       P3   total  0.007185   0.004024
+12         2         1          1       P0   total  0.319438   0.018563
+13         2         1          1       P1   total  0.053616   0.010510
+14         2         1          1       P2   total  0.033673   0.002604
+15         2         1          1       P3   total  0.006221   0.004387
 8          2         1          2       P0   total  0.000000   0.000000
 9          2         1          2       P1   total  0.000000   0.000000
 10         2         1          2       P2   total  0.000000   0.000000
@@ -416,16 +416,16 @@ consistent scatter matrix
 5          2         2          1       P1   total  0.000000   0.000000
 6          2         2          1       P2   total  0.000000   0.000000
 7          2         2          1       P3   total  0.000000   0.000000
-0          2         2          2       P0   total  0.295438   0.031157
-1          2         2          2       P1   total  0.000261   0.009343
-2          2         2          2       P2   total -0.004909   0.007859
-3          2         2          2       P3   total -0.018264   0.012327
+0          2         2          2       P0   total  0.295397   0.050438
+1          2         2          2       P1   total -0.026532   0.019872
+2          2         2          2       P2   total -0.005388   0.007591
+3          2         2          2       P3   total -0.005672   0.012735
 consistent nu-scatter matrix
     material  group in  group out legendre nuclide      mean  std. dev.
-12         2         1          1       P0   total  0.312074   0.035456
-13         2         1          1       P1   total  0.046450   0.007699
-14         2         1          1       P2   total  0.028824   0.008274
-15         2         1          1       P3   total  0.007185   0.004057
+12         2         1          1       P0   total  0.319438   0.023255
+13         2         1          1       P1   total  0.053616   0.010769
+14         2         1          1       P2   total  0.033673   0.002993
+15         2         1          1       P3   total  0.006221   0.004396
 8          2         1          2       P0   total  0.000000   0.000000
 9          2         1          2       P1   total  0.000000   0.000000
 10         2         1          2       P2   total  0.000000   0.000000
@@ -434,10 +434,10 @@ consistent nu-scatter matrix
 5          2         2          1       P1   total  0.000000   0.000000
 6          2         2          1       P2   total  0.000000   0.000000
 7          2         2          1       P3   total  0.000000   0.000000
-0          2         2          2       P0   total  0.295438   0.043686
-1          2         2          2       P1   total  0.000261   0.009343
-2          2         2          2       P2   total -0.004909   0.007876
-3          2         2          2       P3   total -0.018264   0.012471
+0          2         2          2       P0   total  0.295397   0.065105
+1          2         2          2       P1   total -0.026532   0.020213
+2          2         2          2       P2   total -0.005388   0.007628
+3          2         2          2       P3   total -0.005672   0.012759
 chi
    material  group out nuclide  mean  std. dev.
 1         2          1   total   0.0        0.0
@@ -448,8 +448,8 @@ chi-prompt
 0         2          2   total   0.0        0.0
 inverse-velocity
    material  group in nuclide          mean     std. dev.
-1         2         1   total  6.076563e-08  2.727519e-09
-0         2         2   total  2.996176e-06  1.110139e-07
+1         2         1   total  6.068670e-08  4.861582e-09
+0         2         2   total  2.921021e-06  3.028269e-07
 prompt-nu-fission
    material  group in nuclide  mean  std. dev.
 1         2         1   total   0.0        0.0
@@ -462,72 +462,72 @@ prompt-nu-fission matrix
 0         2         2          2   total   0.0        0.0
 diffusion-coefficient
    material  group in nuclide      mean  std. dev.
-1         2         1   total  1.252406   0.081631
-0         2         2   total  1.108904   0.040809
+1         2         1   total  1.245396   0.073923
+0         2         2   total  1.018589   0.110853
 nu-diffusion-coefficient
    material  group in nuclide      mean  std. dev.
-1         2         1   total  1.252406   0.081631
-0         2         2   total  1.108904   0.040809
+1         2         1   total  1.245396   0.073923
+0         2         2   total  1.018589   0.110853
 (n,elastic)
    material  group in nuclide      mean  std. dev.
-1         2         1   total  0.302664   0.015531
-0         2         2   total  0.295438   0.005743
+1         2         1   total  0.310592   0.012188
+0         2         2   total  0.295397   0.029142
 (n,level)
    material  group in nuclide  mean  std. dev.
 1         2         1   total   0.0        0.0
 0         2         2   total   0.0        0.0
 (n,2n)
-   material  group in nuclide      mean  std. dev.
-1         2         1   total  0.000019   0.000017
-0         2         2   total  0.000000   0.000000
+   material  group in nuclide  mean  std. dev.
+1         2         1   total   0.0        0.0
+0         2         2   total   0.0        0.0
 (n,na)
    material  group in nuclide          mean     std. dev.
-1         2         1   total  4.892570e-09  4.436228e-09
+1         2         1   total  2.157338e-13  1.864239e-13
 0         2         2   total  0.000000e+00  0.000000e+00
 (n,nc)
-   material  group in nuclide      mean  std. dev.
-1         2         1   total  0.001998   0.000408
-0         2         2   total  0.000000   0.000000
+   material  group in nuclide     mean  std. dev.
+1         2         1   total  0.00187   0.000152
+0         2         2   total  0.00000   0.000000
 (n,gamma)
    material  group in nuclide      mean  std. dev.
-1         2         1   total  0.001497   0.000118
-0         2         2   total  0.005419   0.000201
+1         2         1   total  0.001038   0.000121
+0         2         2   total  0.005283   0.000548
 (n,a)
    material  group in nuclide          mean     std. dev.
-1         2         1   total  9.546292e-07  9.180854e-08
-0         2         2   total  2.736059e-07  5.318732e-09
+1         2         1   total  7.402079e-07  3.197538e-08
+0         2         2   total  2.735682e-07  2.698845e-08
 (n,Xa)
    material  group in nuclide          mean     std. dev.
-1         2         1   total  9.595218e-07  9.558005e-08
-0         2         2   total  2.736059e-07  5.318732e-09
+1         2         1   total  7.402081e-07  3.197534e-08
+0         2         2   total  2.735682e-07  2.698845e-08
 heating
    material  group in nuclide         mean   std. dev.
-1         2         1   total  2551.878627  212.765665
-0         2         2   total     2.332139    0.087384
+1         2         1   total  2479.710231  157.161879
+0         2         2   total     2.314706    0.265682
 damage-energy
-   material  group in nuclide         mean   std. dev.
-1         2         1   total  1585.677533  130.382718
-0         2         2   total     0.295108    0.010079
+   material  group in nuclide         mean  std. dev.
+1         2         1   total  1566.139383  61.602407
+0         2         2   total     0.288739   0.029698
 (n,n1)
    material  group in nuclide      mean  std. dev.
-1         2         1   total  0.002835   0.000246
+1         2         1   total  0.002897   0.000181
 0         2         2   total  0.000000   0.000000
 (n,a0)
    material  group in nuclide          mean     std. dev.
-1         2         1   total  7.169006e-07  6.251188e-08
-0         2         2   total  2.733303e-07  5.313375e-09
+1         2         1   total  6.646569e-07  2.959064e-08
+0         2         2   total  2.732927e-07  2.696126e-08
 (n,nc) matrix
    material  group in  group out nuclide      mean  std. dev.
-3         2         1          1   total  0.001489   0.001491
+3         2         1          1   total  0.000488   0.000488
 2         2         1          2   total  0.000000   0.000000
 1         2         2          1   total  0.000000   0.000000
 0         2         2          2   total  0.000000   0.000000
 (n,n1) matrix
-   material  group in  group out nuclide      mean  std. dev.
-3         2         1          1   total  0.001985   0.000507
-2         2         1          2   total  0.000000   0.000000
-1         2         2          1   total  0.000000   0.000000
-0         2         2          2   total  0.000000   0.000000
+   material  group in  group out nuclide     mean  std. dev.
+3         2         1          1   total  0.00244   0.001094
+2         2         1          2   total  0.00000   0.000000
+1         2         2          1   total  0.00000   0.000000
+0         2         2          2   total  0.00000   0.000000
 (n,2n) matrix
    material  group in  group out nuclide  mean  std. dev.
 3         2         1          1   total   0.0        0.0
@@ -612,28 +612,28 @@ delayed-nu-fission matrix
 20         2             6         2          2   total   0.0        0.0
 total
    material  group in nuclide      mean  std. dev.
-1         3         1   total  0.682896   0.024140
-0         3         2   total  2.032938   0.085675
+1         3         1   total  0.692034   0.019973
+0         3         2   total  2.033425   0.189463
 transport
    material  group in nuclide      mean  std. dev.
-1         3         1   total  0.298986   0.026905
-0         3         2   total  1.471887   0.096907
+1         3         1   total  0.298754   0.021602
+0         3         2   total  1.459465   0.197868
 nu-transport
    material  group in nuclide      mean  std. dev.
-1         3         1   total  0.298986   0.026905
-0         3         2   total  1.471887   0.096907
+1         3         1   total  0.298754   0.021602
+0         3         2   total  1.459465   0.197868
 absorption
    material  group in nuclide      mean  std. dev.
-1         3         1   total  0.000693   0.000020
-0         3         2   total  0.031171   0.001403
+1         3         1   total  0.000699   0.000035
+0         3         2   total  0.031056   0.003017
 reduced absorption
    material  group in nuclide      mean  std. dev.
-1         3         1   total  0.000693   0.000020
-0         3         2   total  0.031171   0.001403
+1         3         1   total  0.000699   0.000035
+0         3         2   total  0.031056   0.003017
 capture
    material  group in nuclide      mean  std. dev.
-1         3         1   total  0.000693   0.000020
-0         3         2   total  0.031171   0.001403
+1         3         1   total  0.000699   0.000035
+0         3         2   total  0.031056   0.003017
 fission
    material  group in nuclide  mean  std. dev.
 1         3         1   total   0.0        0.0
@@ -648,54 +648,54 @@ kappa-fission
 0         3         2   total   0.0        0.0
 scatter
    material  group in nuclide      mean  std. dev.
-1         3         1   total  0.682202   0.024123
-0         3         2   total  2.001768   0.084281
+1         3         1   total  0.691336   0.019945
+0         3         2   total  2.002368   0.186454
 nu-scatter
    material  group in nuclide      mean  std. dev.
-1         3         1   total  0.672567   0.017434
-0         3         2   total  2.004576   0.129211
+1         3         1   total  0.684356   0.011639
+0         3         2   total  1.990840   0.178205
 scatter matrix
     material  group in  group out legendre nuclide      mean  std. dev.
-12         3         1          1       P0   total  0.641741   0.016600
-13         3         1          1       P1   total  0.383841   0.011878
-14         3         1          1       P2   total  0.149909   0.005512
-15         3         1          1       P3   total  0.004238   0.002485
-8          3         1          2       P0   total  0.030826   0.000973
-9          3         1          2       P1   total  0.009943   0.000415
-10         3         1          2       P2   total -0.003002   0.000628
-11         3         1          2       P3   total -0.004234   0.000393
-4          3         2          1       P0   total  0.000467   0.000467
-5          3         2          1       P1   total  0.000345   0.000345
-6          3         2          1       P2   total  0.000149   0.000149
-7          3         2          1       P3   total -0.000047   0.000047
-0          3         2          2       P0   total  2.004109   0.129225
-1          3         2          2       P1   total  0.511363   0.043448
-2          3         2          2       P2   total  0.108599   0.014070
-3          3         2          2       P3   total  0.035733   0.021921
+12         3         1          1       P0   total  0.652706   0.011111
+13         3         1          1       P1   total  0.393203   0.008164
+14         3         1          1       P2   total  0.162146   0.003332
+15         3         1          1       P3   total  0.014967   0.004773
+8          3         1          2       P0   total  0.031650   0.000613
+9          3         1          2       P1   total  0.009845   0.000647
+10         3         1          2       P2   total -0.003284   0.000758
+11         3         1          2       P3   total -0.003971   0.000187
+4          3         2          1       P0   total  0.000474   0.000475
+5          3         2          1       P1   total  0.000396   0.000397
+6          3         2          1       P2   total  0.000260   0.000261
+7          3         2          1       P3   total  0.000099   0.000099
+0          3         2          2       P0   total  1.990366   0.178042
+1          3         2          2       P1   total  0.523546   0.053239
+2          3         2          2       P2   total  0.101180   0.015832
+3          3         2          2       P3   total  0.017873   0.005685
 nu-scatter matrix
     material  group in  group out legendre nuclide      mean  std. dev.
-12         3         1          1       P0   total  0.641741   0.016600
-13         3         1          1       P1   total  0.383841   0.011878
-14         3         1          1       P2   total  0.149909   0.005512
-15         3         1          1       P3   total  0.004238   0.002485
-8          3         1          2       P0   total  0.030826   0.000973
-9          3         1          2       P1   total  0.009943   0.000415
-10         3         1          2       P2   total -0.003002   0.000628
-11         3         1          2       P3   total -0.004234   0.000393
-4          3         2          1       P0   total  0.000467   0.000467
-5          3         2          1       P1   total  0.000345   0.000345
-6          3         2          1       P2   total  0.000149   0.000149
-7          3         2          1       P3   total -0.000047   0.000047
-0          3         2          2       P0   total  2.004109   0.129225
-1          3         2          2       P1   total  0.511363   0.043448
-2          3         2          2       P2   total  0.108599   0.014070
-3          3         2          2       P3   total  0.035733   0.021921
+12         3         1          1       P0   total  0.652706   0.011111
+13         3         1          1       P1   total  0.393203   0.008164
+14         3         1          1       P2   total  0.162146   0.003332
+15         3         1          1       P3   total  0.014967   0.004773
+8          3         1          2       P0   total  0.031650   0.000613
+9          3         1          2       P1   total  0.009845   0.000647
+10         3         1          2       P2   total -0.003284   0.000758
+11         3         1          2       P3   total -0.003971   0.000187
+4          3         2          1       P0   total  0.000474   0.000475
+5          3         2          1       P1   total  0.000396   0.000397
+6          3         2          1       P2   total  0.000260   0.000261
+7          3         2          1       P3   total  0.000099   0.000099
+0          3         2          2       P0   total  1.990366   0.178042
+1          3         2          2       P1   total  0.523546   0.053239
+2          3         2          2       P2   total  0.101180   0.015832
+3          3         2          2       P3   total  0.017873   0.005685
 multiplicity matrix
    material  group in  group out nuclide  mean  std. dev.
-3         3         1          1   total   1.0   0.022200
-2         3         1          2   total   1.0   0.033880
+3         3         1          1   total   1.0   0.020267
+2         3         1          2   total   1.0   0.024112
 1         3         2          1   total   1.0   1.414214
-0         3         2          2   total   1.0   0.066922
+0         3         2          2   total   1.0   0.093189
 nu-fission matrix
    material  group in  group out nuclide  mean  std. dev.
 3         3         1          1   total   0.0        0.0
@@ -704,46 +704,46 @@ nu-fission matrix
 0         3         2          2   total   0.0        0.0
 scatter probability matrix
    material  group in  group out nuclide      mean  std. dev.
-3         3         1          1   total  0.954167   0.020729
-2         3         1          2   total  0.045833   0.001296
-1         3         2          1   total  0.000233   0.000233
-0         3         2          2   total  0.999767   0.066899
+3         3         1          1   total  0.953753   0.018903
+2         3         1          2   total  0.046247   0.001011
+1         3         2          1   total  0.000238   0.000239
+0         3         2          2   total  0.999762   0.093156
 consistent scatter matrix
     material  group in  group out legendre nuclide      mean  std. dev.
-12         3         1          1       P0   total  0.650935   0.027014
-13         3         1          1       P1   total  0.389340   0.017459
-14         3         1          1       P2   total  0.152056   0.007457
-15         3         1          1       P3   total  0.004299   0.002525
-8          3         1          2       P0   total  0.031268   0.001416
-9          3         1          2       P1   total  0.010085   0.000533
-10         3         1          2       P2   total -0.003045   0.000645
-11         3         1          2       P3   total -0.004295   0.000423
-4          3         2          1       P0   total  0.000466   0.000467
-5          3         2          1       P1   total  0.000344   0.000345
-6          3         2          1       P2   total  0.000148   0.000149
-7          3         2          1       P3   total -0.000047   0.000047
-0          3         2          2       P0   total  2.001301   0.158219
-1          3         2          2       P1   total  0.510647   0.049275
-2          3         2          2       P2   total  0.108446   0.014900
-3          3         2          2       P3   total  0.035683   0.021951
+12         3         1          1       P0   total  0.659363   0.023079
+13         3         1          1       P1   total  0.397213   0.014683
+14         3         1          1       P2   total  0.163800   0.006035
+15         3         1          1       P3   total  0.015120   0.004843
+8          3         1          2       P0   total  0.031973   0.001157
+9          3         1          2       P1   total  0.009945   0.000721
+10         3         1          2       P2   total -0.003318   0.000772
+11         3         1          2       P3   total -0.004011   0.000225
+4          3         2          1       P0   total  0.000477   0.000480
+5          3         2          1       P1   total  0.000399   0.000401
+6          3         2          1       P2   total  0.000262   0.000264
+7          3         2          1       P3   total  0.000099   0.000100
+0          3         2          2       P0   total  2.001892   0.263710
+1          3         2          2       P1   total  0.526577   0.073894
+2          3         2          2       P2   total  0.101766   0.018719
+3          3         2          2       P3   total  0.017976   0.005976
 consistent nu-scatter matrix
     material  group in  group out legendre nuclide      mean  std. dev.
-12         3         1          1       P0   total  0.650935   0.030637
-13         3         1          1       P1   total  0.389340   0.019481
-14         3         1          1       P2   total  0.152056   0.008185
-15         3         1          1       P3   total  0.004299   0.002526
-8          3         1          2       P0   total  0.031268   0.001768
-9          3         1          2       P1   total  0.010085   0.000633
-10         3         1          2       P2   total -0.003045   0.000653
-11         3         1          2       P3   total -0.004295   0.000447
-4          3         2          1       P0   total  0.000466   0.000808
-5          3         2          1       P1   total  0.000344   0.000597
-6          3         2          1       P2   total  0.000148   0.000257
-7          3         2          1       P3   total -0.000047   0.000081
-0          3         2          2       P0   total  2.001301   0.207294
-1          3         2          2       P1   total  0.510647   0.059966
-2          3         2          2       P2   total  0.108446   0.016574
-3          3         2          2       P3   total  0.035683   0.022080
+12         3         1          1       P0   total  0.659363   0.026669
+13         3         1          1       P1   total  0.397213   0.016746
+14         3         1          1       P2   total  0.163800   0.006888
+15         3         1          1       P3   total  0.015120   0.004853
+8          3         1          2       P0   total  0.031973   0.001391
+9          3         1          2       P1   total  0.009945   0.000759
+10         3         1          2       P2   total -0.003318   0.000776
+11         3         1          2       P3   total -0.004011   0.000245
+4          3         2          1       P0   total  0.000477   0.000827
+5          3         2          1       P1   total  0.000399   0.000692
+6          3         2          1       P2   total  0.000262   0.000455
+7          3         2          1       P3   total  0.000099   0.000172
+0          3         2          2       P0   total  2.001892   0.323026
+1          3         2          2       P1   total  0.526577   0.088703
+2          3         2          2       P2   total  0.101766   0.020985
+3          3         2          2       P3   total  0.017976   0.006207
 chi
    material  group out nuclide  mean  std. dev.
 1         3          1   total   0.0        0.0
@@ -754,8 +754,8 @@ chi-prompt
 0         3          2   total   0.0        0.0
 inverse-velocity
    material  group in nuclide          mean     std. dev.
-1         3         1   total  6.023693e-08  1.678511e-09
-0         3         2   total  2.995346e-06  1.347817e-07
+1         3         1   total  6.187551e-08  3.945367e-09
+0         3         2   total  2.984343e-06  2.898715e-07
 prompt-nu-fission
    material  group in nuclide  mean  std. dev.
 1         3         1   total   0.0        0.0
@@ -768,60 +768,60 @@ prompt-nu-fission matrix
 0         3         2          2   total   0.0        0.0
 diffusion-coefficient
    material  group in nuclide      mean  std. dev.
-1         3         1   total  1.114881   0.100326
-0         3         2   total  0.226467   0.014910
+1         3         1   total  1.115746   0.080676
+0         3         2   total  0.228394   0.030965
 nu-diffusion-coefficient
    material  group in nuclide      mean  std. dev.
-1         3         1   total  1.114881   0.100326
-0         3         2   total  0.226467   0.014910
+1         3         1   total  1.115746   0.080676
+0         3         2   total  0.228394   0.030965
 (n,elastic)
    material  group in nuclide      mean  std. dev.
-1         3         1   total  0.682168   0.024125
-0         3         2   total  2.001768   0.084281
+1         3         1   total  0.691333   0.019945
+0         3         2   total  2.002368   0.186454
 (n,level)
    material  group in nuclide      mean  std. dev.
-1         3         1   total  0.000033   0.000019
+1         3         1   total  0.000003   0.000002
 0         3         2   total  0.000000   0.000000
 (n,2n)
    material  group in nuclide  mean  std. dev.
 1         3         1   total   0.0        0.0
 0         3         2   total   0.0        0.0
 (n,na)
-   material  group in nuclide          mean     std. dev.
-1         3         1   total  9.967562e-07  9.970492e-07
-0         3         2   total  0.000000e+00  0.000000e+00
+   material  group in nuclide  mean  std. dev.
+1         3         1   total   0.0        0.0
+0         3         2   total   0.0        0.0
 (n,nc)
-   material  group in nuclide          mean     std. dev.
-1         3         1   total  8.867935e-07  8.870902e-07
-0         3         2   total  0.000000e+00  0.000000e+00
+   material  group in nuclide  mean  std. dev.
+1         3         1   total   0.0        0.0
+0         3         2   total   0.0        0.0
 (n,gamma)
    material  group in nuclide      mean  std. dev.
-1         3         1   total  0.000219   0.000006
-0         3         2   total  0.010855   0.000488
+1         3         1   total  0.000225   0.000014
+0         3         2   total  0.010815   0.001050
 (n,a)
    material  group in nuclide      mean  std. dev.
-1         3         1   total  0.000474   0.000015
-0         3         2   total  0.020316   0.000914
+1         3         1   total  0.000474   0.000021
+0         3         2   total  0.020241   0.001966
 (n,Xa)
    material  group in nuclide      mean  std. dev.
-1         3         1   total  0.000475   0.000015
-0         3         2   total  0.020316   0.000914
+1         3         1   total  0.000474   0.000021
+0         3         2   total  0.020242   0.001966
 heating
    material  group in nuclide          mean    std. dev.
-1         3         1   total  77986.174023  6103.108384
-0         3         2   total  59060.658662  3576.641806
+1         3         1   total  74978.139095  3970.725596
+0         3         2   total  58539.697122  6443.645451
 damage-energy
    material  group in nuclide         mean  std. dev.
-1         3         1   total  1107.847239  59.901669
-0         3         2   total   331.691439  14.926212
+1         3         1   total  1161.596397  41.187452
+0         3         2   total   330.473159  32.100259
 (n,n1)
-   material  group in nuclide      mean     std. dev.
-1         3         1   total  0.000001  3.988839e-07
-0         3         2   total  0.000000  0.000000e+00
+   material  group in nuclide          mean     std. dev.
+1         3         1   total  2.912377e-07  3.897408e-08
+0         3         2   total  0.000000e+00  0.000000e+00
 (n,a0)
    material  group in nuclide      mean  std. dev.
-1         3         1   total  0.000084   0.000016
-0         3         2   total  0.001278   0.000058
+1         3         1   total  0.000082   0.000009
+0         3         2   total  0.001273   0.000124
 (n,nc) matrix
    material  group in  group out nuclide  mean  std. dev.
 3         3         1          1   total   0.0        0.0
diff --git a/tests/regression_tests/mgxs_library_nuclides/results_true.dat b/tests/regression_tests/mgxs_library_nuclides/results_true.dat
index c2188997d..c05ec9b48 100644
--- a/tests/regression_tests/mgxs_library_nuclides/results_true.dat
+++ b/tests/regression_tests/mgxs_library_nuclides/results_true.dat
@@ -1 +1 @@
-4ae3b5a70ad72b1be261aee3ab19e0261d1c12f4d4ca50b712d1ba76041bd5387c69fa9fa326619ad588db206cd9aaf464b0025d71ea9b8b1137af0102bca87f
\ No newline at end of file
+d1e4ab2c0d85bb5da617db9c7a3731494114e2fd3ba75ae8eaa1f0a36648f73fcbcfb487390789b0124719cabdcbfa84af4bb118f11bdc548d1065e1b5af836a
\ No newline at end of file
diff --git a/tests/regression_tests/mgxs_library_specific_nuclides/results_true.dat b/tests/regression_tests/mgxs_library_specific_nuclides/results_true.dat
index eaf56b966..0c44eb132 100644
--- a/tests/regression_tests/mgxs_library_specific_nuclides/results_true.dat
+++ b/tests/regression_tests/mgxs_library_specific_nuclides/results_true.dat
@@ -1 +1 @@
-08d5c199c51496f86fdd739bf7ee0e143a9a159da0f4d364ec970557e5c1fc92a202d906dcae91812e665fd2e88dd7db1e4913ef6b91f456f23b52093c83f483
\ No newline at end of file
+efcd9fd6be2ed6c98bbe5279cbacdb287597fcbbc4ed49e164b07e0861f28877b1bef2ad82d70fdac95965f7ed0d0990f77c8545718836b1b55a16b4243208d0
\ No newline at end of file
diff --git a/tests/regression_tests/microxs/test_reference_materials_direct.csv b/tests/regression_tests/microxs/test_reference_materials_direct.csv
index 3259d0151..4a63fed85 100644
--- a/tests/regression_tests/microxs/test_reference_materials_direct.csv
+++ b/tests/regression_tests/microxs/test_reference_materials_direct.csv
@@ -1,7 +1,7 @@
 nuclides,reactions,groups,xs
-U235,"(n,gamma)",1,0.14765501510184456
-U235,fission,1,1.2517200956290817
-O16,"(n,gamma)",1,0.00010872314985710938
+U235,"(n,gamma)",1,0.1475718536187164
+U235,fission,1,1.2504996049257149
+O16,"(n,gamma)",1,0.00010981236259441559
 O16,fission,1,0.0
-Xe135,"(n,gamma)",1,0.014333667335215764
+Xe135,"(n,gamma)",1,0.014570546772870611
 Xe135,fission,1,0.0
diff --git a/tests/regression_tests/microxs/test_reference_materials_flux.csv b/tests/regression_tests/microxs/test_reference_materials_flux.csv
index 5023e0d0e..5eb29902e 100644
--- a/tests/regression_tests/microxs/test_reference_materials_flux.csv
+++ b/tests/regression_tests/microxs/test_reference_materials_flux.csv
@@ -1,7 +1,7 @@
 nuclides,reactions,groups,xs
-U235,"(n,gamma)",1,0.15018326758942505
-U235,fission,1,1.2603151141390958
-O16,"(n,gamma)",1,0.00012159621938463765
+U235,"(n,gamma)",1,0.15003016703758473
+U235,fission,1,1.2646269005413537
+O16,"(n,gamma)",1,0.00012069778439640301
 O16,fission,1,0.0
-Xe135,"(n,gamma)",1,0.015180177095633546
+Xe135,"(n,gamma)",1,0.014820264774863562
 Xe135,fission,1,0.0
diff --git a/tests/regression_tests/microxs/test_reference_mesh_direct.csv b/tests/regression_tests/microxs/test_reference_mesh_direct.csv
index bd07a3237..60160ee51 100644
--- a/tests/regression_tests/microxs/test_reference_mesh_direct.csv
+++ b/tests/regression_tests/microxs/test_reference_mesh_direct.csv
@@ -1,7 +1,7 @@
 nuclides,reactions,groups,xs
-U235,"(n,gamma)",1,0.14765501510184456
-U235,fission,1,1.2517200956290815
-O16,"(n,gamma)",1,0.00010872314985710936
+U235,"(n,gamma)",1,0.14757185361871633
+U235,fission,1,1.2504996049257142
+O16,"(n,gamma)",1,0.0001098123625944155
 O16,fission,1,0.0
-Xe135,"(n,gamma)",1,0.014333667335215761
+Xe135,"(n,gamma)",1,0.0145705467728706
 Xe135,fission,1,0.0
diff --git a/tests/regression_tests/microxs/test_reference_mesh_flux.csv b/tests/regression_tests/microxs/test_reference_mesh_flux.csv
index d946ada80..5eb29902e 100644
--- a/tests/regression_tests/microxs/test_reference_mesh_flux.csv
+++ b/tests/regression_tests/microxs/test_reference_mesh_flux.csv
@@ -1,7 +1,7 @@
 nuclides,reactions,groups,xs
-U235,"(n,gamma)",1,0.15018326758942507
-U235,fission,1,1.2603151141390958
-O16,"(n,gamma)",1,0.00012159621938463766
+U235,"(n,gamma)",1,0.15003016703758473
+U235,fission,1,1.2646269005413537
+O16,"(n,gamma)",1,0.00012069778439640301
 O16,fission,1,0.0
-Xe135,"(n,gamma)",1,0.015180177095633546
+Xe135,"(n,gamma)",1,0.014820264774863562
 Xe135,fission,1,0.0
diff --git a/tests/regression_tests/multipole/results_true.dat b/tests/regression_tests/multipole/results_true.dat
index 8eb75b894..40b42b1a0 100644
--- a/tests/regression_tests/multipole/results_true.dat
+++ b/tests/regression_tests/multipole/results_true.dat
@@ -1,36 +1,36 @@
 k-combined:
-1.354889E+00 8.437211E-03
+1.315804E+00 7.070811E-02
 tally 1:
-3.869969E+00
-3.000421E+00
-2.800393E+00
-1.570851E+00
-5.399091E-01
-5.842233E-02
-4.577147E-01
-4.203362E-02
+3.840178E+00
+2.953217E+00
+2.769369E+00
+1.535605E+00
+5.400560E-01
+5.840168E-02
+4.595308E-01
+4.237758E-02
 0.000000E+00
 0.000000E+00
-2.286465E+01
-1.045869E+02
+2.283789E+01
+1.044032E+02
 0.000000E+00
 0.000000E+00
-6.971793E-04
-9.724819E-08
-2.283955E+01
-1.043576E+02
-4.659256E-06
-2.170865E-11
-3.663230E+02
-2.685383E+04
-2.800393E+00
-1.570851E+00
-2.204999E+00
-9.728014E-01
-3.612213E+02
-2.611152E+04
-4.659256E-06
-2.170865E-11
+6.960971E-04
+9.704386E-08
+2.281620E+01
+1.042051E+02
+3.667073E-05
+1.048567E-09
+3.655557E+02
+2.676173E+04
+2.769369E+00
+1.535605E+00
+2.199058E+00
+9.681253E-01
+3.604950E+02
+2.602657E+04
+3.667073E-05
+1.048567E-09
 Cell
 	ID             =	11
 	Name           =	
diff --git a/tests/regression_tests/output/results_true.dat b/tests/regression_tests/output/results_true.dat
index bbf03de94..97b997ae6 100644
--- a/tests/regression_tests/output/results_true.dat
+++ b/tests/regression_tests/output/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-3.070134E-01 3.900396E-03
+2.940336E-01 7.338463E-04
diff --git a/tests/regression_tests/particle_restart_eigval/results_true.dat b/tests/regression_tests/particle_restart_eigval/results_true.dat
index bd81920ca..3feeb5e74 100644
--- a/tests/regression_tests/particle_restart_eigval/results_true.dat
+++ b/tests/regression_tests/particle_restart_eigval/results_true.dat
@@ -1,16 +1,16 @@
 current batch:
-1.100000E+01
+8.000000E+00
 current generation:
 1.000000E+00
 particle id:
-2.540000E+02
+6.000000E+01
 run mode:
 eigenvalue
 particle weight:
 1.000000E+00
 particle energy:
-2.220048E+06
+2.028153E+06
 particle xyz:
--4.820850E+01 2.432936E+01 4.397668E+01
+-3.678172E+01 -6.073321E+01 2.756488E+01
 particle uvw:
--3.148565E-01 9.184190E-01 2.395245E-01
+-3.284774E-01 -8.920284E-01 3.104639E-01
diff --git a/tests/regression_tests/particle_restart_eigval/settings.xml b/tests/regression_tests/particle_restart_eigval/settings.xml
index 64b1a4dd4..de580e4c4 100644
--- a/tests/regression_tests/particle_restart_eigval/settings.xml
+++ b/tests/regression_tests/particle_restart_eigval/settings.xml
@@ -6,7 +6,7 @@
   <batches>12</batches>
   <inactive>5</inactive>
   <particles>1200</particles>
-
+  <max_lost_particles>1000000</max_lost_particles>
   <source>
     <space type="box">
       <parameters>-10 -10 -5  10  10  5</parameters>
diff --git a/tests/regression_tests/particle_restart_eigval/test.py b/tests/regression_tests/particle_restart_eigval/test.py
index f9d22edb8..bad3f158c 100644
--- a/tests/regression_tests/particle_restart_eigval/test.py
+++ b/tests/regression_tests/particle_restart_eigval/test.py
@@ -2,5 +2,5 @@ from tests.testing_harness import ParticleRestartTestHarness
 
 
 def test_particle_restart_eigval():
-    harness = ParticleRestartTestHarness('particle_11_254.h5')
+    harness = ParticleRestartTestHarness('particle_8_60.h5')
     harness.main()
diff --git a/tests/regression_tests/periodic/results_true.dat b/tests/regression_tests/periodic/results_true.dat
index 2189597e1..626004b16 100644
--- a/tests/regression_tests/periodic/results_true.dat
+++ b/tests/regression_tests/periodic/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-1.623300E+00 2.572983E-02
+1.624889E+00 1.108153E-02
diff --git a/tests/regression_tests/periodic_6fold/results_true.dat b/tests/regression_tests/periodic_6fold/results_true.dat
index e60182809..04aa30878 100644
--- a/tests/regression_tests/periodic_6fold/results_true.dat
+++ b/tests/regression_tests/periodic_6fold/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-1.858730E+00 6.824588E-03
+1.848492E+00 2.933785E-03
diff --git a/tests/regression_tests/periodic_hex/results_true.dat b/tests/regression_tests/periodic_hex/results_true.dat
index 584089a15..eff00b6e1 100644
--- a/tests/regression_tests/periodic_hex/results_true.dat
+++ b/tests/regression_tests/periodic_hex/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-2.284468E+00 2.781588E-02
+2.285622E+00 2.576768E-03
diff --git a/tests/regression_tests/photon_production_fission/results_true.dat b/tests/regression_tests/photon_production_fission/results_true.dat
index b17b3621a..af325d4b0 100644
--- a/tests/regression_tests/photon_production_fission/results_true.dat
+++ b/tests/regression_tests/photon_production_fission/results_true.dat
@@ -1,12 +1,12 @@
 k-combined:
-2.278476E+00 6.220292E-02
+2.297165E+00 1.955494E-02
 tally 1:
-2.664071E+00
-2.369250E+00
+2.696393E+00
+2.423937E+00
 0.000000E+00
 0.000000E+00
-2.664071E+00
-2.369250E+00
+2.696393E+00
+2.423937E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -18,52 +18,52 @@ tally 1:
 0.000000E+00
 0.000000E+00
 tally 2:
-2.640755E+00
-2.326201E+00
-4.245217E+08
-6.012128E+16
+2.672029E+00
+2.380251E+00
+4.288244E+08
+6.130569E+16
 0.000000E+00
 0.000000E+00
-2.640755E+00
-2.326201E+00
-4.245217E+08
-6.012128E+16
+2.672029E+00
+2.380251E+00
+4.288244E+08
+6.130569E+16
 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-1.675918E+05
-9.365733E+09
+1.711908E+05
+9.769096E+09
 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-1.675918E+05
-9.365733E+09
+1.711908E+05
+9.769096E+09
 0.000000E+00
 0.000000E+00
 tally 3:
-2.657846E+00
-2.354717E+00
-4.245217E+08
-6.012128E+16
+2.649127E+00
+2.339294E+00
+4.288244E+08
+6.130569E+16
 0.000000E+00
 0.000000E+00
-2.657846E+00
-2.354717E+00
-4.245217E+08
-6.012128E+16
+2.649127E+00
+2.339294E+00
+4.288244E+08
+6.130569E+16
 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-1.675918E+05
-9.365733E+09
+1.711908E+05
+9.769096E+09
 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-1.675918E+05
-9.365733E+09
+1.711908E+05
+9.769096E+09
 0.000000E+00
 0.000000E+00
diff --git a/tests/regression_tests/ptables_off/results_true.dat b/tests/regression_tests/ptables_off/results_true.dat
index 1652088ce..374274862 100644
--- a/tests/regression_tests/ptables_off/results_true.dat
+++ b/tests/regression_tests/ptables_off/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-2.978318E-01 1.560055E-03
+2.968228E-01 1.770320E-03
diff --git a/tests/regression_tests/quadric_surfaces/results_true.dat b/tests/regression_tests/quadric_surfaces/results_true.dat
index 382c4241e..6fb569f52 100644
--- a/tests/regression_tests/quadric_surfaces/results_true.dat
+++ b/tests/regression_tests/quadric_surfaces/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-1.193830E+00 1.824184E-02
+1.216213E+00 2.789559E-02
diff --git a/tests/regression_tests/random_ray_adjoint_fixed_source/results_true.dat b/tests/regression_tests/random_ray_adjoint_fixed_source/results_true.dat
index 7178e2f11..e9aa9015b 100644
--- a/tests/regression_tests/random_ray_adjoint_fixed_source/results_true.dat
+++ b/tests/regression_tests/random_ray_adjoint_fixed_source/results_true.dat
@@ -6,4 +6,4 @@ tally 2:
 9.482551E+08
 tally 3:
 1.956327E+05
-7.654469E+09
+7.654468E+09
diff --git a/tests/regression_tests/random_ray_auto_convert/infinite_medium/results_true.dat b/tests/regression_tests/random_ray_auto_convert/infinite_medium/results_true.dat
index a0d7fc545..c7584ab64 100644
--- a/tests/regression_tests/random_ray_auto_convert/infinite_medium/results_true.dat
+++ b/tests/regression_tests/random_ray_auto_convert/infinite_medium/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-7.796949E-01 1.055316E-02
+7.797820E-01 1.054725E-02
diff --git a/tests/regression_tests/random_ray_auto_convert/material_wise/results_true.dat b/tests/regression_tests/random_ray_auto_convert/material_wise/results_true.dat
index ebf510cfc..d544a27df 100644
--- a/tests/regression_tests/random_ray_auto_convert/material_wise/results_true.dat
+++ b/tests/regression_tests/random_ray_auto_convert/material_wise/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-7.375068E-01 7.015839E-03
+7.356667E-01 6.637270E-03
diff --git a/tests/regression_tests/random_ray_auto_convert/stochastic_slab/results_true.dat b/tests/regression_tests/random_ray_auto_convert/stochastic_slab/results_true.dat
index 2f444fad3..75a10a224 100644
--- a/tests/regression_tests/random_ray_auto_convert/stochastic_slab/results_true.dat
+++ b/tests/regression_tests/random_ray_auto_convert/stochastic_slab/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-7.499679E-01 8.107614E-03
+7.551716E-01 8.117378E-03
diff --git a/tests/regression_tests/random_ray_diagonal_stabilization/results_true.dat b/tests/regression_tests/random_ray_diagonal_stabilization/results_true.dat
index c6ce6aab9..f27ad46b4 100644
--- a/tests/regression_tests/random_ray_diagonal_stabilization/results_true.dat
+++ b/tests/regression_tests/random_ray_diagonal_stabilization/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-7.152917E-01 1.430362E-02
+7.201808E-01 1.506596E-02
diff --git a/tests/regression_tests/random_ray_fixed_source_linear/linear/results_true.dat b/tests/regression_tests/random_ray_fixed_source_linear/linear/results_true.dat
index 2fc08d0a4..e90d6bfdc 100644
--- a/tests/regression_tests/random_ray_fixed_source_linear/linear/results_true.dat
+++ b/tests/regression_tests/random_ray_fixed_source_linear/linear/results_true.dat
@@ -1,6 +1,6 @@
 tally 1:
-2.339085E+00
-2.747304E-01
+2.339086E+00
+2.747305E-01
 tally 2:
 1.089827E-01
 6.069324E-04
diff --git a/tests/regression_tests/random_ray_fixed_source_subcritical/flat/results_true.dat b/tests/regression_tests/random_ray_fixed_source_subcritical/flat/results_true.dat
index 831eac501..4d2fb6c57 100644
--- a/tests/regression_tests/random_ray_fixed_source_subcritical/flat/results_true.dat
+++ b/tests/regression_tests/random_ray_fixed_source_subcritical/flat/results_true.dat
@@ -83,7 +83,7 @@ tally 1:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-1.073356E+02
+1.073355E+02
 4.630895E+02
 1.263975E+01
 6.427678E+00
@@ -107,7 +107,7 @@ tally 1:
 2.388612E-03
 5.941898E-01
 1.414866E-02
-5.319555E+01
+5.319554E+01
 1.134034E+02
 1.967517E-01
 1.551313E-03
@@ -122,7 +122,7 @@ tally 1:
 8.044764E+01
 2.602455E+02
 3.474828E-01
-4.908567E-03
+4.908566E-03
 9.665057E-01
 3.797493E-02
 1.561720E+02
diff --git a/tests/regression_tests/random_ray_fixed_source_subcritical/linear_xy/results_true.dat b/tests/regression_tests/random_ray_fixed_source_subcritical/linear_xy/results_true.dat
index 49813144d..bf602d3e2 100644
--- a/tests/regression_tests/random_ray_fixed_source_subcritical/linear_xy/results_true.dat
+++ b/tests/regression_tests/random_ray_fixed_source_subcritical/linear_xy/results_true.dat
@@ -23,7 +23,7 @@ tally 1:
 0.000000E+00
 0.000000E+00
 0.000000E+00
-5.235812E+01
+5.235813E+01
 1.099243E+02
 0.000000E+00
 0.000000E+00
@@ -72,12 +72,12 @@ tally 1:
 0.000000E+00
 0.000000E+00
 9.495275E+01
-3.613372E+02
+3.613373E+02
 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-5.799250E+01
+5.799251E+01
 1.356178E+02
 0.000000E+00
 0.000000E+00
@@ -86,7 +86,7 @@ tally 1:
 1.066414E+02
 4.570291E+02
 1.254014E+01
-6.325640E+00
+6.325641E+00
 3.052020E+01
 3.746918E+01
 4.977302E+01
@@ -107,7 +107,7 @@ tally 1:
 2.371074E-03
 5.920173E-01
 1.404478E-02
-5.299862E+01
+5.299863E+01
 1.125576E+02
 1.959914E-01
 1.539191E-03
@@ -118,11 +118,11 @@ tally 1:
 5.781230E-02
 1.341759E-04
 1.430525E-01
-8.215326E-04
+8.215327E-04
 7.995734E+01
 2.570099E+02
 3.452934E-01
-4.844058E-03
+4.844059E-03
 9.604162E-01
 3.747587E-02
 1.556795E+02
diff --git a/tests/regression_tests/random_ray_halton_samples/results_true.dat b/tests/regression_tests/random_ray_halton_samples/results_true.dat
index 7eb307da0..b62398935 100644
--- a/tests/regression_tests/random_ray_halton_samples/results_true.dat
+++ b/tests/regression_tests/random_ray_halton_samples/results_true.dat
@@ -21,7 +21,7 @@ tally 1:
 3.807294E-03
 2.376683E+00
 1.151027E+00
-8.060902E-02
+8.060903E-02
 1.323179E-03
 1.961862E-01
 7.837693E-03
@@ -109,7 +109,7 @@ tally 1:
 1.195422E-03
 1.864967E-01
 7.080943E-03
-7.105765E+00
+7.105766E+00
 1.025960E+01
 8.287512E-02
 1.396474E-03
@@ -133,9 +133,9 @@ tally 1:
 7.031793E-01
 4.562478E+00
 4.165199E+00
-2.870213E+00
+2.870214E+00
 1.650126E+00
-4.244068E-01
+4.244069E-01
 3.608745E-02
 1.032921E+00
 2.137598E-01
@@ -151,7 +151,7 @@ tally 1:
 1.251254E-03
 1.906210E-01
 7.411654E-03
-7.162706E+00
+7.162707E+00
 1.042515E+01
 8.273831E-02
 1.391799E-03
diff --git a/tests/regression_tests/random_ray_k_eff/results_true.dat b/tests/regression_tests/random_ray_k_eff/results_true.dat
index a21929d53..37eca77f3 100644
--- a/tests/regression_tests/random_ray_k_eff/results_true.dat
+++ b/tests/regression_tests/random_ray_k_eff/results_true.dat
@@ -24,8 +24,8 @@ tally 1:
 7.808142E-02
 1.242278E-03
 1.900346E-01
-7.358490E-03
-7.134948E+00
+7.358491E-03
+7.134949E+00
 1.034824E+01
 8.272647E-02
 1.391871E-03
@@ -41,7 +41,7 @@ tally 1:
 3.449537E+01
 1.764293E-01
 6.225586E-03
-4.907292E-01
+4.907293E-01
 4.816400E-02
 7.567715E+00
 1.145439E+01
@@ -114,7 +114,7 @@ tally 1:
 8.322052E-02
 1.408294E-03
 2.025446E-01
-8.342070E-03
+8.342071E-03
 2.094832E+01
 8.816715E+01
 3.234739E-02
@@ -150,15 +150,15 @@ tally 1:
 7.951819E-02
 1.286690E-03
 1.935314E-01
-7.621556E-03
-7.119586E+00
+7.621557E-03
+7.119587E+00
 1.030023E+01
 8.428175E-02
 1.442931E-03
 2.051274E-01
 8.547243E-03
 2.046758E+01
-8.418767E+01
+8.418768E+01
 3.181946E-02
 2.034766E-04
 7.873502E-02
diff --git a/tests/regression_tests/random_ray_k_eff_mesh/results_true.dat b/tests/regression_tests/random_ray_k_eff_mesh/results_true.dat
index 535db3b55..83209044b 100644
--- a/tests/regression_tests/random_ray_k_eff_mesh/results_true.dat
+++ b/tests/regression_tests/random_ray_k_eff_mesh/results_true.dat
@@ -1,7 +1,7 @@
 k-combined:
 8.379203E-01 8.057199E-03
 tally 1:
-5.080171E+00
+5.080172E+00
 5.167984E+00
 1.880341E+00
 7.079266E-01
@@ -16,7 +16,7 @@ tally 1:
 1.692643E+00
 5.794069E-01
 5.445214E-02
-5.995212E-04
+5.995213E-04
 1.325256E-01
 3.551193E-03
 2.372336E+00
@@ -35,10 +35,10 @@ tally 1:
 8.394042E+01
 3.100485E-02
 1.932097E-04
-7.671933E-02
+7.671934E-02
 1.182985E-03
 1.313652E+01
-3.451847E+01
+3.451846E+01
 1.764978E-01
 6.230420E-03
 4.909196E-01
@@ -56,7 +56,7 @@ tally 1:
 0.000000E+00
 0.000000E+00
 1.820058E+00
-6.729238E-01
+6.729239E-01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -96,7 +96,7 @@ tally 1:
 4.104063E-01
 3.377132E-02
 9.988468E-01
-2.000404E-01
+2.000405E-01
 1.660506E+00
 5.567967E-01
 5.427391E-02
@@ -147,13 +147,13 @@ tally 1:
 3.699815E-03
 2.368737E+00
 1.143184E+00
-7.950085E-02
+7.950086E-02
 1.286135E-03
 1.934892E-01
-7.618268E-03
+7.618269E-03
 7.119767E+00
 1.030095E+01
-8.427627E-02
+8.427628E-02
 1.442764E-03
 2.051141E-01
 8.546249E-03
diff --git a/tests/regression_tests/random_ray_linear/linear/results_true.dat b/tests/regression_tests/random_ray_linear/linear/results_true.dat
index 6617c7821..4c0e14370 100644
--- a/tests/regression_tests/random_ray_linear/linear/results_true.dat
+++ b/tests/regression_tests/random_ray_linear/linear/results_true.dat
@@ -24,7 +24,7 @@ tally 1:
 5.733016E-01
 1.643671E-02
 1.395301E+00
-9.736091E-02
+9.736092E-02
 4.539598E+01
 1.030472E+02
 5.263055E-01
@@ -44,7 +44,7 @@ tally 1:
 2.008092E+00
 2.022988E-01
 4.188246E+01
-8.843468E+01
+8.843469E+01
 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -111,7 +111,7 @@ tally 1:
 9.671931E-02
 4.539193E+01
 1.030326E+02
-5.345253E-01
+5.345254E-01
 1.428719E-02
 1.300944E+00
 8.463057E-02
diff --git a/tests/regression_tests/random_ray_volume_estimator_linear/hybrid/results_true.dat b/tests/regression_tests/random_ray_volume_estimator_linear/hybrid/results_true.dat
index 2fc08d0a4..e90d6bfdc 100644
--- a/tests/regression_tests/random_ray_volume_estimator_linear/hybrid/results_true.dat
+++ b/tests/regression_tests/random_ray_volume_estimator_linear/hybrid/results_true.dat
@@ -1,6 +1,6 @@
 tally 1:
-2.339085E+00
-2.747304E-01
+2.339086E+00
+2.747305E-01
 tally 2:
 1.089827E-01
 6.069324E-04
diff --git a/tests/regression_tests/reflective_plane/results_true.dat b/tests/regression_tests/reflective_plane/results_true.dat
index a1acfaad7..a4d6edb67 100644
--- a/tests/regression_tests/reflective_plane/results_true.dat
+++ b/tests/regression_tests/reflective_plane/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-2.276857E+00 8.776678E-03
+2.279066E+00 4.793565E-03
diff --git a/tests/regression_tests/resonance_scattering/results_true.dat b/tests/regression_tests/resonance_scattering/results_true.dat
index 8316e720e..72f0933b8 100644
--- a/tests/regression_tests/resonance_scattering/results_true.dat
+++ b/tests/regression_tests/resonance_scattering/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-1.462509E+00 2.205413E-02
+1.462428E+00 1.828903E-02
diff --git a/tests/regression_tests/rotation/results_true.dat b/tests/regression_tests/rotation/results_true.dat
index 0fb8ba981..6db3d329a 100644
--- a/tests/regression_tests/rotation/results_true.dat
+++ b/tests/regression_tests/rotation/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-4.175600E-01 1.117465E-02
+4.459219E-01 1.899168E-02
diff --git a/tests/regression_tests/salphabeta/results_true.dat b/tests/regression_tests/salphabeta/results_true.dat
index d5c7f66e9..75a81075e 100644
--- a/tests/regression_tests/salphabeta/results_true.dat
+++ b/tests/regression_tests/salphabeta/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-8.694866E-01 2.033328E-02
+8.628529E-01 3.120924E-02
diff --git a/tests/regression_tests/score_current/results_true.dat b/tests/regression_tests/score_current/results_true.dat
index ff939301d..6bb74445c 100644
--- a/tests/regression_tests/score_current/results_true.dat
+++ b/tests/regression_tests/score_current/results_true.dat
@@ -1,274 +1,490 @@
 k-combined:
-2.298294E-01 3.256961E-01
+7.729082E-01 3.775399E-02
 tally 1:
 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-1.150000E-01
-2.753000E-03
-1.820000E-01
-6.756000E-03
+1.200000E-01
+2.924000E-03
+1.740000E-01
+6.270000E-03
 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-1.110000E-01
-2.601000E-03
-1.530000E-01
-4.865000E-03
-1.910000E-01
-7.535000E-03
+1.200000E-01
+3.044000E-03
+1.510000E-01
+4.615000E-03
+1.710000E-01
+6.067000E-03
 0.000000E+00
 0.000000E+00
-7.100000E-02
-1.079000E-03
-1.500000E-01
-4.606000E-03
-1.820000E-01
-6.756000E-03
-1.150000E-01
-2.753000E-03
-1.610000E-01
-5.383000E-03
-1.230000E-01
-3.141000E-03
-0.000000E+00
-0.000000E+00
-0.000000E+00
-0.000000E+00
-1.370000E-01
-3.951000E-03
-2.600000E-01
-1.366400E-02
-1.930000E-01
-7.573000E-03
-0.000000E+00
-0.000000E+00
-8.500000E-02
-1.533000E-03
-2.040000E-01
-8.426000E-03
-1.230000E-01
-3.141000E-03
-1.610000E-01
-5.383000E-03
-0.000000E+00
-0.000000E+00
-0.000000E+00
-0.000000E+00
-0.000000E+00
-0.000000E+00
-0.000000E+00
-0.000000E+00
-1.250000E-01
-3.311000E-03
-1.620000E-01
-5.346000E-03
-1.860000E-01
-6.932000E-03
-0.000000E+00
-0.000000E+00
-7.100000E-02
-1.083000E-03
-1.630000E-01
-5.617000E-03
-0.000000E+00
-0.000000E+00
-0.000000E+00
-0.000000E+00
-1.800000E-01
-7.002000E-03
-2.980000E-01
-1.815000E-02
-1.530000E-01
-4.865000E-03
-1.110000E-01
-2.601000E-03
-1.890000E-01
-7.605000E-03
-1.330000E-01
-3.743000E-03
-1.790000E-01
-6.495000E-03
-0.000000E+00
-0.000000E+00
-1.080000E-01
-2.718000E-03
-2.160000E-01
-9.662000E-03
-2.980000E-01
-1.815000E-02
-1.800000E-01
-7.002000E-03
-2.650000E-01
-1.435500E-02
-1.590000E-01
-5.285000E-03
-2.600000E-01
-1.366400E-02
-1.370000E-01
-3.951000E-03
-2.670000E-01
-1.469300E-02
-1.940000E-01
-7.678000E-03
-2.390000E-01
-1.155500E-02
-0.000000E+00
-0.000000E+00
-2.410000E-01
-1.255900E-02
-5.510000E-01
-7.358900E-02
-1.590000E-01
-5.285000E-03
-2.650000E-01
-1.435500E-02
-0.000000E+00
-0.000000E+00
-0.000000E+00
-0.000000E+00
-1.620000E-01
-5.346000E-03
-1.250000E-01
-3.311000E-03
-1.870000E-01
-7.083000E-03
+6.500000E-02
+9.390000E-04
 1.410000E-01
-3.999000E-03
-2.040000E-01
-8.438000E-03
+4.001000E-03
+1.740000E-01
+6.270000E-03
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diff --git a/tests/regression_tests/seed/results_true.dat b/tests/regression_tests/seed/results_true.dat
index bcd711825..ff34071c1 100644
--- a/tests/regression_tests/seed/results_true.dat
+++ b/tests/regression_tests/seed/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-3.069730E-01 2.632099E-03
+3.015003E-01 5.094212E-03
diff --git a/tests/regression_tests/source/results_true.dat b/tests/regression_tests/source/results_true.dat
index 673d27c8a..951075bbb 100644
--- a/tests/regression_tests/source/results_true.dat
+++ b/tests/regression_tests/source/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-2.959436E-01 2.782384E-03
+3.034717E-01 2.799386E-03
diff --git a/tests/regression_tests/source_file/results_true.dat b/tests/regression_tests/source_file/results_true.dat
index 264e3d580..359e0526e 100644
--- a/tests/regression_tests/source_file/results_true.dat
+++ b/tests/regression_tests/source_file/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-2.983135E-01 5.116978E-03
+2.827397E-01 1.150437E-03
diff --git a/tests/regression_tests/source_mcpl_file/results_true.dat b/tests/regression_tests/source_mcpl_file/results_true.dat
index 264e3d580..3ba1a4520 100644
--- a/tests/regression_tests/source_mcpl_file/results_true.dat
+++ b/tests/regression_tests/source_mcpl_file/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-2.983135E-01 5.116978E-03
+2.827397E-01 1.150438E-03
diff --git a/tests/regression_tests/sourcepoint_batch/results_true.dat b/tests/regression_tests/sourcepoint_batch/results_true.dat
index 2770f25ed..3665bdd08 100644
--- a/tests/regression_tests/sourcepoint_batch/results_true.dat
+++ b/tests/regression_tests/sourcepoint_batch/results_true.dat
@@ -1,3 +1,3 @@
 k-combined:
-3.074376E-01 3.049465E-03
-3.667754E+00 -7.701697E+00 2.213664E+00
+2.920435E-01 9.109227E-04
+1.101997E+00 -8.197502E+00 4.294606E+00
diff --git a/tests/regression_tests/sourcepoint_latest/results_true.dat b/tests/regression_tests/sourcepoint_latest/results_true.dat
index bbf03de94..97b997ae6 100644
--- a/tests/regression_tests/sourcepoint_latest/results_true.dat
+++ b/tests/regression_tests/sourcepoint_latest/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-3.070134E-01 3.900396E-03
+2.940336E-01 7.338463E-04
diff --git a/tests/regression_tests/sourcepoint_restart/results_true.dat b/tests/regression_tests/sourcepoint_restart/results_true.dat
index b6d85872d..c20b5f2a0 100644
--- a/tests/regression_tests/sourcepoint_restart/results_true.dat
+++ b/tests/regression_tests/sourcepoint_restart/results_true.dat
@@ -1,46 +1,14 @@
 k-combined:
-3.070134E-01 3.900396E-03
+2.940336E-01 7.338463E-04
 tally 1:
 1.300000E-02
-4.700000E-05
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-9.030024E-06
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 0.000000E+00
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 0.000000E+00
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 0.000000E+00
@@ -49,602 +17,26 @@ tally 1:
 0.000000E+00
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@@ -658,45 +50,93 @@ tally 1:
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 0.000000E+00
 0.000000E+00
 0.000000E+00
@@ -962,11 +962,11 @@ tally 1:
 0.000000E+00
 0.000000E+00
 tally 2:
-5.818100E-01
-6.772558E-02
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-8.054355E-02
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diff --git a/tests/regression_tests/statepoint_batch/__init__.py b/tests/regression_tests/statepoint_batch/__init__.py
deleted file mode 100644
index e69de29bb..000000000
diff --git a/tests/regression_tests/statepoint_batch/geometry.xml b/tests/regression_tests/statepoint_batch/geometry.xml
deleted file mode 100644
index bc56030e1..000000000
--- a/tests/regression_tests/statepoint_batch/geometry.xml
+++ /dev/null
@@ -1,8 +0,0 @@
-<?xml version="1.0"?>
-<geometry>
-
-  <!-- Sphere with radius 10 -->
-  <surface id="1" type="sphere" coeffs="0 0 0 10" boundary="vacuum"/>
-  <cell id="1" material="1" region="-1" />
-    
-</geometry>
diff --git a/tests/regression_tests/statepoint_batch/materials.xml b/tests/regression_tests/statepoint_batch/materials.xml
deleted file mode 100644
index 2472a7471..000000000
--- a/tests/regression_tests/statepoint_batch/materials.xml
+++ /dev/null
@@ -1,9 +0,0 @@
-<?xml version="1.0"?>
-<materials>
-
-  <material id="1">
-    <density value="4.5" units="g/cc" />
-    <nuclide name="U235" ao="1.0" />
-  </material>
-
-</materials>
diff --git a/tests/regression_tests/statepoint_batch/results_true.dat b/tests/regression_tests/statepoint_batch/results_true.dat
deleted file mode 100644
index f5c855d77..000000000
--- a/tests/regression_tests/statepoint_batch/results_true.dat
+++ /dev/null
@@ -1,2 +0,0 @@
-k-combined:
-3.048864E-01 1.689118E-03
diff --git a/tests/regression_tests/statepoint_batch/settings.xml b/tests/regression_tests/statepoint_batch/settings.xml
deleted file mode 100644
index e2f8dad47..000000000
--- a/tests/regression_tests/statepoint_batch/settings.xml
+++ /dev/null
@@ -1,17 +0,0 @@
-<?xml version="1.0"?>
-<settings>
-
-  <state_point batches="3 6 9" />
-
-  <run_mode>eigenvalue</run_mode>
-  <batches>10</batches>
-  <inactive>5</inactive>
-  <particles>1000</particles>
-
-  <source>
-    <space type="box">
-      <parameters>-4 -4 -4  4  4  4</parameters>
-    </space>
-  </source>
-
-</settings>
diff --git a/tests/regression_tests/statepoint_batch/test.py b/tests/regression_tests/statepoint_batch/test.py
deleted file mode 100644
index 323b28fc6..000000000
--- a/tests/regression_tests/statepoint_batch/test.py
+++ /dev/null
@@ -1,18 +0,0 @@
-from tests.testing_harness import TestHarness
-
-
-class StatepointTestHarness(TestHarness):
-    def __init__(self):
-        super().__init__(None)
-
-    def _test_output_created(self):
-        """Make sure statepoint files have been created."""
-        sps = ('statepoint.03.h5', 'statepoint.06.h5', 'statepoint.09.h5')
-        for sp in sps:
-            self._sp_name = sp
-            TestHarness._test_output_created(self)
-
-
-def test_statepoint_batch():
-    harness = StatepointTestHarness()
-    harness.main()
diff --git a/tests/regression_tests/statepoint_restart/results_true.dat b/tests/regression_tests/statepoint_restart/results_true.dat
index aebc971f4..b919b3000 100644
--- a/tests/regression_tests/statepoint_restart/results_true.dat
+++ b/tests/regression_tests/statepoint_restart/results_true.dat
@@ -1,66 +1,18 @@
 k-combined:
-3.070134E-01 3.900396E-03
+2.940336E-01 7.338463E-04
 tally 1:
 1.300000E-02
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@@ -73,900 +25,36 @@ tally 1:
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 0.000000E+00
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@@ -1442,11 +1442,11 @@ tally 1:
 0.000000E+00
 0.000000E+00
 tally 2:
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diff --git a/tests/regression_tests/statepoint_sourcesep/results_true.dat b/tests/regression_tests/statepoint_sourcesep/results_true.dat
index bbf03de94..97b997ae6 100644
--- a/tests/regression_tests/statepoint_sourcesep/results_true.dat
+++ b/tests/regression_tests/statepoint_sourcesep/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-3.070134E-01 3.900396E-03
+2.940336E-01 7.338463E-04
diff --git a/tests/regression_tests/stride/results_true.dat b/tests/regression_tests/stride/results_true.dat
index a65411150..825de3766 100644
--- a/tests/regression_tests/stride/results_true.dat
+++ b/tests/regression_tests/stride/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-2.978080E-01 6.106774E-03
+2.953207E-01 2.874356E-03
diff --git a/tests/regression_tests/surface_source/surface_source_true.h5 b/tests/regression_tests/surface_source/surface_source_true.h5
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diff --git a/tests/regression_tests/surface_source_write/case-01/results_true.dat b/tests/regression_tests/surface_source_write/case-01/results_true.dat
index 8979eb554..d4d1d1e5a 100644
--- a/tests/regression_tests/surface_source_write/case-01/results_true.dat
+++ b/tests/regression_tests/surface_source_write/case-01/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
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+5.642735E-02 1.494035E-02
diff --git a/tests/regression_tests/surface_source_write/case-01/surface_source_true.h5 b/tests/regression_tests/surface_source_write/case-01/surface_source_true.h5
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diff --git a/tests/regression_tests/surface_source_write/case-02/results_true.dat b/tests/regression_tests/surface_source_write/case-02/results_true.dat
index 8979eb554..d4d1d1e5a 100644
--- a/tests/regression_tests/surface_source_write/case-02/results_true.dat
+++ b/tests/regression_tests/surface_source_write/case-02/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
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+5.642735E-02 1.494035E-02
diff --git a/tests/regression_tests/surface_source_write/case-02/surface_source_true.h5 b/tests/regression_tests/surface_source_write/case-02/surface_source_true.h5
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diff --git a/tests/regression_tests/surface_source_write/case-03/results_true.dat b/tests/regression_tests/surface_source_write/case-03/results_true.dat
index 8979eb554..d4d1d1e5a 100644
--- a/tests/regression_tests/surface_source_write/case-03/results_true.dat
+++ b/tests/regression_tests/surface_source_write/case-03/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
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diff --git a/tests/regression_tests/surface_source_write/case-03/surface_source_true.h5 b/tests/regression_tests/surface_source_write/case-03/surface_source_true.h5
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diff --git a/tests/regression_tests/surface_source_write/case-04/results_true.dat b/tests/regression_tests/surface_source_write/case-04/results_true.dat
index 8979eb554..d4d1d1e5a 100644
--- a/tests/regression_tests/surface_source_write/case-04/results_true.dat
+++ b/tests/regression_tests/surface_source_write/case-04/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
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+5.642735E-02 1.494035E-02
diff --git a/tests/regression_tests/surface_source_write/case-04/surface_source_true.h5 b/tests/regression_tests/surface_source_write/case-04/surface_source_true.h5
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diff --git a/tests/regression_tests/surface_source_write/case-05/results_true.dat b/tests/regression_tests/surface_source_write/case-05/results_true.dat
index 8979eb554..d4d1d1e5a 100644
--- a/tests/regression_tests/surface_source_write/case-05/results_true.dat
+++ b/tests/regression_tests/surface_source_write/case-05/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
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+5.642735E-02 1.494035E-02
diff --git a/tests/regression_tests/surface_source_write/case-05/surface_source_true.h5 b/tests/regression_tests/surface_source_write/case-05/surface_source_true.h5
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diff --git a/tests/regression_tests/surface_source_write/case-06/results_true.dat b/tests/regression_tests/surface_source_write/case-06/results_true.dat
index 8979eb554..d4d1d1e5a 100644
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+++ b/tests/regression_tests/surface_source_write/case-06/results_true.dat
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 k-combined:
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diff --git a/tests/regression_tests/surface_source_write/case-07/results_true.dat b/tests/regression_tests/surface_source_write/case-07/results_true.dat
index 8979eb554..d4d1d1e5a 100644
--- a/tests/regression_tests/surface_source_write/case-07/results_true.dat
+++ b/tests/regression_tests/surface_source_write/case-07/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-5.169123E-02 9.144814E-03
+5.642735E-02 1.494035E-02
diff --git a/tests/regression_tests/surface_source_write/case-07/surface_source_true.h5 b/tests/regression_tests/surface_source_write/case-07/surface_source_true.h5
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diff --git a/tests/regression_tests/surface_source_write/case-08/results_true.dat b/tests/regression_tests/surface_source_write/case-08/results_true.dat
index 8979eb554..d4d1d1e5a 100644
--- a/tests/regression_tests/surface_source_write/case-08/results_true.dat
+++ b/tests/regression_tests/surface_source_write/case-08/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
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+5.642735E-02 1.494035E-02
diff --git a/tests/regression_tests/surface_source_write/case-08/surface_source_true.h5 b/tests/regression_tests/surface_source_write/case-08/surface_source_true.h5
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diff --git a/tests/regression_tests/surface_source_write/case-09/results_true.dat b/tests/regression_tests/surface_source_write/case-09/results_true.dat
index 8979eb554..d4d1d1e5a 100644
--- a/tests/regression_tests/surface_source_write/case-09/results_true.dat
+++ b/tests/regression_tests/surface_source_write/case-09/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
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+5.642735E-02 1.494035E-02
diff --git a/tests/regression_tests/surface_source_write/case-09/surface_source_true.h5 b/tests/regression_tests/surface_source_write/case-09/surface_source_true.h5
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diff --git a/tests/regression_tests/surface_source_write/case-10/results_true.dat b/tests/regression_tests/surface_source_write/case-10/results_true.dat
index 8979eb554..d4d1d1e5a 100644
--- a/tests/regression_tests/surface_source_write/case-10/results_true.dat
+++ b/tests/regression_tests/surface_source_write/case-10/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
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+5.642735E-02 1.494035E-02
diff --git a/tests/regression_tests/surface_source_write/case-10/surface_source_true.h5 b/tests/regression_tests/surface_source_write/case-10/surface_source_true.h5
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diff --git a/tests/regression_tests/surface_source_write/case-13/results_true.dat b/tests/regression_tests/surface_source_write/case-13/results_true.dat
index d793a7e42..ad927bdf3 100644
--- a/tests/regression_tests/surface_source_write/case-13/results_true.dat
+++ b/tests/regression_tests/surface_source_write/case-13/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-4.752377E-02 6.773395E-03
+4.929000E-02 8.212396E-03
diff --git a/tests/regression_tests/surface_source_write/case-13/surface_source_true.h5 b/tests/regression_tests/surface_source_write/case-13/surface_source_true.h5
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diff --git a/tests/regression_tests/surface_source_write/case-14/results_true.dat b/tests/regression_tests/surface_source_write/case-14/results_true.dat
index d793a7e42..ad927bdf3 100644
--- a/tests/regression_tests/surface_source_write/case-14/results_true.dat
+++ b/tests/regression_tests/surface_source_write/case-14/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
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+4.929000E-02 8.212396E-03
diff --git a/tests/regression_tests/surface_source_write/case-14/surface_source_true.h5 b/tests/regression_tests/surface_source_write/case-14/surface_source_true.h5
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diff --git a/tests/regression_tests/surface_source_write/case-15/results_true.dat b/tests/regression_tests/surface_source_write/case-15/results_true.dat
index d793a7e42..ad927bdf3 100644
--- a/tests/regression_tests/surface_source_write/case-15/results_true.dat
+++ b/tests/regression_tests/surface_source_write/case-15/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
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diff --git a/tests/regression_tests/surface_source_write/case-15/surface_source_true.h5 b/tests/regression_tests/surface_source_write/case-15/surface_source_true.h5
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delta 17
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delta 17
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diff --git a/tests/regression_tests/surface_source_write/case-16/results_true.dat b/tests/regression_tests/surface_source_write/case-16/results_true.dat
index a97be70ca..cd0619c1f 100644
--- a/tests/regression_tests/surface_source_write/case-16/results_true.dat
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diff --git a/tests/regression_tests/surface_source_write/case-16/surface_source_true.h5 b/tests/regression_tests/surface_source_write/case-16/surface_source_true.h5
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diff --git a/tests/regression_tests/surface_source_write/case-17/results_true.dat b/tests/regression_tests/surface_source_write/case-17/results_true.dat
index a97be70ca..cd0619c1f 100644
--- a/tests/regression_tests/surface_source_write/case-17/results_true.dat
+++ b/tests/regression_tests/surface_source_write/case-17/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-1.496403E+00 3.891283E-02
+1.403371E+00 1.456192E-02
diff --git a/tests/regression_tests/surface_source_write/case-17/surface_source_true.h5 b/tests/regression_tests/surface_source_write/case-17/surface_source_true.h5
index 35878eecae7d7fcf08cbd53e5db8b2d63e3177d3..aadcc3fa407a973be80196cab5f3cc4051c1a724 100644
GIT binary patch
delta 17
YcmaDL@IYXL2s_Jt%~KhhCD=U}0X^Ub1poj5

delta 17
YcmaDL@IYXL2s=yCjEuC+66_v~06IAZlK=n!

diff --git a/tests/regression_tests/surface_source_write/case-18/results_true.dat b/tests/regression_tests/surface_source_write/case-18/results_true.dat
index a97be70ca..cd0619c1f 100644
--- a/tests/regression_tests/surface_source_write/case-18/results_true.dat
+++ b/tests/regression_tests/surface_source_write/case-18/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-1.496403E+00 3.891283E-02
+1.403371E+00 1.456192E-02
diff --git a/tests/regression_tests/surface_source_write/case-18/surface_source_true.h5 b/tests/regression_tests/surface_source_write/case-18/surface_source_true.h5
index 36da9e7a7f7307e5af5221f380b58750742fcc41..e5a7619c552c4321cdcaa3710363e430fa57516b 100644
GIT binary patch
delta 17
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delta 17
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diff --git a/tests/regression_tests/surface_source_write/case-19/results_true.dat b/tests/regression_tests/surface_source_write/case-19/results_true.dat
index a97be70ca..cd0619c1f 100644
--- a/tests/regression_tests/surface_source_write/case-19/results_true.dat
+++ b/tests/regression_tests/surface_source_write/case-19/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
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+1.403371E+00 1.456192E-02
diff --git a/tests/regression_tests/surface_source_write/case-19/surface_source_true.h5 b/tests/regression_tests/surface_source_write/case-19/surface_source_true.h5
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diff --git a/tests/regression_tests/surface_source_write/case-20/results_true.dat b/tests/regression_tests/surface_source_write/case-20/results_true.dat
index 7ccce7cc3..44293cf09 100644
--- a/tests/regression_tests/surface_source_write/case-20/results_true.dat
+++ b/tests/regression_tests/surface_source_write/case-20/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
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diff --git a/tests/regression_tests/surface_source_write/case-20/surface_source_true.h5 b/tests/regression_tests/surface_source_write/case-20/surface_source_true.h5
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diff --git a/tests/regression_tests/surface_source_write/case-21/results_true.dat b/tests/regression_tests/surface_source_write/case-21/results_true.dat
index 7ccce7cc3..44293cf09 100644
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diff --git a/tests/regression_tests/surface_source_write/case-21/surface_source_true.h5 b/tests/regression_tests/surface_source_write/case-21/surface_source_true.h5
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diff --git a/tests/regression_tests/surface_source_write/case-a01/results_true.dat b/tests/regression_tests/surface_source_write/case-a01/results_true.dat
index 8979eb554..d4d1d1e5a 100644
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diff --git a/tests/regression_tests/surface_source_write/case-d02/results_true.dat b/tests/regression_tests/surface_source_write/case-d02/results_true.dat
index 7fb415cb1..26b9e30a3 100644
--- a/tests/regression_tests/surface_source_write/case-d02/results_true.dat
+++ b/tests/regression_tests/surface_source_write/case-d02/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
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+9.288719E-01 6.877101E-03
diff --git a/tests/regression_tests/surface_source_write/case-d02/surface_source_true.h5 b/tests/regression_tests/surface_source_write/case-d02/surface_source_true.h5
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diff --git a/tests/regression_tests/surface_source_write/case-d03/results_true.dat b/tests/regression_tests/surface_source_write/case-d03/results_true.dat
index 7fb415cb1..26b9e30a3 100644
--- a/tests/regression_tests/surface_source_write/case-d03/results_true.dat
+++ b/tests/regression_tests/surface_source_write/case-d03/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-9.263843E-01 3.193920E-02
+9.288719E-01 6.877101E-03
diff --git a/tests/regression_tests/surface_source_write/case-d03/surface_source_true.h5 b/tests/regression_tests/surface_source_write/case-d03/surface_source_true.h5
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diff --git a/tests/regression_tests/surface_source_write/case-d04/results_true.dat b/tests/regression_tests/surface_source_write/case-d04/results_true.dat
index 7fb415cb1..26b9e30a3 100644
--- a/tests/regression_tests/surface_source_write/case-d04/results_true.dat
+++ b/tests/regression_tests/surface_source_write/case-d04/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-9.263843E-01 3.193920E-02
+9.288719E-01 6.877101E-03
diff --git a/tests/regression_tests/surface_source_write/case-d04/surface_source_true.h5 b/tests/regression_tests/surface_source_write/case-d04/surface_source_true.h5
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diff --git a/tests/regression_tests/surface_source_write/case-d05/results_true.dat b/tests/regression_tests/surface_source_write/case-d05/results_true.dat
index 7fb415cb1..26b9e30a3 100644
--- a/tests/regression_tests/surface_source_write/case-d05/results_true.dat
+++ b/tests/regression_tests/surface_source_write/case-d05/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-9.263843E-01 3.193920E-02
+9.288719E-01 6.877101E-03
diff --git a/tests/regression_tests/surface_source_write/case-d05/surface_source_true.h5 b/tests/regression_tests/surface_source_write/case-d05/surface_source_true.h5
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diff --git a/tests/regression_tests/surface_source_write/case-d06/results_true.dat b/tests/regression_tests/surface_source_write/case-d06/results_true.dat
index 7fb415cb1..26b9e30a3 100644
--- a/tests/regression_tests/surface_source_write/case-d06/results_true.dat
+++ b/tests/regression_tests/surface_source_write/case-d06/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
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+9.288719E-01 6.877101E-03
diff --git a/tests/regression_tests/surface_source_write/case-d06/surface_source_true.h5 b/tests/regression_tests/surface_source_write/case-d06/surface_source_true.h5
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diff --git a/tests/regression_tests/surface_source_write/case-d07/results_true.dat b/tests/regression_tests/surface_source_write/case-d07/results_true.dat
index 63ea1a64d..5a4ea6689 100644
--- a/tests/regression_tests/surface_source_write/case-d07/results_true.dat
+++ b/tests/regression_tests/surface_source_write/case-d07/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
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+9.947197E-01 3.711779E-02
diff --git a/tests/regression_tests/surface_source_write/case-d07/surface_source_true.h5 b/tests/regression_tests/surface_source_write/case-d07/surface_source_true.h5
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diff --git a/tests/regression_tests/surface_source_write/case-d08/results_true.dat b/tests/regression_tests/surface_source_write/case-d08/results_true.dat
index 63ea1a64d..5a4ea6689 100644
--- a/tests/regression_tests/surface_source_write/case-d08/results_true.dat
+++ b/tests/regression_tests/surface_source_write/case-d08/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-9.756086E-01 4.639209E-02
+9.947197E-01 3.711779E-02
diff --git a/tests/regression_tests/surface_source_write/case-d08/surface_source_true.h5 b/tests/regression_tests/surface_source_write/case-d08/surface_source_true.h5
index 2525592045ca7912138b0559d72d9d4eaeda6118..5da7564d1f4cd31322ff9a471a6dea175ba8fd0a 100644
GIT binary patch
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diff --git a/tests/regression_tests/surface_source_write/case-e01/results_true.dat b/tests/regression_tests/surface_source_write/case-e01/results_true.dat
index 8979eb554..d4d1d1e5a 100644
--- a/tests/regression_tests/surface_source_write/case-e01/results_true.dat
+++ b/tests/regression_tests/surface_source_write/case-e01/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
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+5.642735E-02 1.494035E-02
diff --git a/tests/regression_tests/surface_source_write/case-e01/surface_source_true.h5 b/tests/regression_tests/surface_source_write/case-e01/surface_source_true.h5
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diff --git a/tests/regression_tests/surface_source_write/case-e02/results_true.dat b/tests/regression_tests/surface_source_write/case-e02/results_true.dat
index 8979eb554..d4d1d1e5a 100644
--- a/tests/regression_tests/surface_source_write/case-e02/results_true.dat
+++ b/tests/regression_tests/surface_source_write/case-e02/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
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+5.642735E-02 1.494035E-02
diff --git a/tests/regression_tests/surface_source_write/case-e02/surface_source_true.h5 b/tests/regression_tests/surface_source_write/case-e02/surface_source_true.h5
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diff --git a/tests/regression_tests/surface_source_write/case-e03/results_true.dat b/tests/regression_tests/surface_source_write/case-e03/results_true.dat
index d793a7e42..ad927bdf3 100644
--- a/tests/regression_tests/surface_source_write/case-e03/results_true.dat
+++ b/tests/regression_tests/surface_source_write/case-e03/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
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+4.929000E-02 8.212396E-03
diff --git a/tests/regression_tests/surface_source_write/case-e03/surface_source_true.h5 b/tests/regression_tests/surface_source_write/case-e03/surface_source_true.h5
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diff --git a/tests/regression_tests/surface_tally/results_true.dat b/tests/regression_tests/surface_tally/results_true.dat
index 8b27fa192..70d5cad2c 100644
--- a/tests/regression_tests/surface_tally/results_true.dat
+++ b/tests/regression_tests/surface_tally/results_true.dat
@@ -1,52 +1,52 @@
 mean,std. dev.
-2.1200000e-02,1.8366636e-03
-7.4900000e-02,2.2083176e-03
-1.6220000e-01,2.8079253e-03
-6.4010000e-01,8.6838931e-03
-2.1000000e-03,3.7859389e-04
-5.6000000e-03,6.8637534e-04
-1.1700000e-02,1.4456832e-03
-4.1700000e-02,2.7041121e-03
-2.1200000e-02,1.8366636e-03
-7.4900000e-02,2.2083176e-03
-1.6220000e-01,2.8079253e-03
-6.4010000e-01,8.6838931e-03
-2.1000000e-03,3.7859389e-04
-5.6000000e-03,6.8637534e-04
-1.1700000e-02,1.4456832e-03
-4.1700000e-02,2.7041121e-03
-5.2000000e-03,5.9254629e-04
-3.9200000e-02,2.5508169e-03
-4.0200000e-02,1.9310331e-03
-4.1360000e-01,8.0072190e-03
-0.0000000e+00,0.0000000e+00
-1.9000000e-03,3.7859389e-04
+2.4100000e-02,2.1052844e-03
+6.7900000e-02,2.3211587e-03
+1.6860000e-01,4.4800794e-03
+6.4710000e-01,9.1826527e-03
+2.2000000e-03,3.8873013e-04
+5.5000000e-03,1.0979779e-03
+1.2500000e-02,1.5438048e-03
+4.4700000e-02,1.9035055e-03
+2.4100000e-02,2.1052844e-03
+6.7900000e-02,2.3211587e-03
+1.6860000e-01,4.4800794e-03
+6.4710000e-01,9.1826527e-03
+2.2000000e-03,3.8873013e-04
+5.5000000e-03,1.0979779e-03
+1.2500000e-02,1.5438048e-03
+4.4700000e-02,1.9035055e-03
+7.3000000e-03,9.8938814e-04
+3.6600000e-02,2.5086517e-03
+4.1600000e-02,2.4864075e-03
+4.2380000e-01,9.6087923e-03
 1.0000000e-04,1.0000000e-04
-1.6400000e-02,1.2840907e-03
--5.2000000e-03,5.9254629e-04
--3.9200000e-02,2.5508169e-03
--4.0200000e-02,1.9310331e-03
--4.1360000e-01,8.0072190e-03
-0.0000000e+00,0.0000000e+00
--1.9000000e-03,3.7859389e-04
+1.5000000e-03,4.5338235e-04
+3.0000000e-04,1.5275252e-04
+1.7300000e-02,1.4609738e-03
+-7.3000000e-03,9.8938814e-04
+-3.6600000e-02,2.5086517e-03
+-4.1600000e-02,2.4864075e-03
+-4.2380000e-01,9.6087923e-03
 -1.0000000e-04,1.0000000e-04
--1.6400000e-02,1.2840907e-03
-1.6000000e-02,2.1602469e-03
-3.5700000e-02,2.9441090e-03
-1.2200000e-01,3.5932035e-03
-2.2650000e-01,9.2463206e-03
+-1.5000000e-03,4.5338235e-04
+-3.0000000e-04,1.5275252e-04
+-1.7300000e-02,1.4609738e-03
+1.6800000e-02,1.5902481e-03
+3.1300000e-02,3.8094911e-03
+1.2700000e-01,5.0990195e-03
+2.2330000e-01,9.3631073e-03
 2.1000000e-03,3.7859389e-04
-3.7000000e-03,8.1717671e-04
-1.1600000e-02,1.4772347e-03
-2.5300000e-02,1.9723083e-03
+4.0000000e-03,1.0540926e-03
+1.2200000e-02,1.6110728e-03
+2.7400000e-02,1.6613248e-03
 0.0000000e+00,0.0000000e+00
--2.9700000e-02,2.4587711e-03
+-3.2000000e-02,1.5634719e-03
 0.0000000e+00,0.0000000e+00
--3.5090000e-01,3.7161808e-03
+-3.5400000e-01,7.5938572e-03
 0.0000000e+00,0.0000000e+00
--2.1000000e-03,4.8189441e-04
+-3.0000000e-03,6.4978629e-04
 0.0000000e+00,0.0000000e+00
--2.1400000e-02,1.7397318e-03
+-2.1800000e-02,1.4892205e-03
 0.0000000e+00,0.0000000e+00
 0.0000000e+00,0.0000000e+00
 0.0000000e+00,0.0000000e+00
diff --git a/tests/regression_tests/survival_biasing/results_true.dat b/tests/regression_tests/survival_biasing/results_true.dat
index 740272201..932414e98 100644
--- a/tests/regression_tests/survival_biasing/results_true.dat
+++ b/tests/regression_tests/survival_biasing/results_true.dat
@@ -1,20 +1,20 @@
 k-combined:
-9.879232E-01 8.097582E-03
+9.517646E-01 1.303111E-02
 tally 1:
-4.295331E+01
-3.691096E+02
-1.802724E+01
-6.501934E+01
-2.193500E+00
-9.627609E-01
-1.893529E+00
-7.174104E-01
-4.902380E+00
-4.808570E+00
-3.418014E-02
-2.337353E-04
-3.667128E+08
-2.690758E+16
+4.164635E+01
+3.470110E+02
+1.724300E+01
+5.949580E+01
+2.124917E+00
+9.034789E-01
+1.844790E+00
+6.809026E-01
+4.784396E+00
+4.579552E+00
+3.348849E-02
+2.243613E-04
+3.573090E+08
+2.554338E+16
 tally 2:
-1.802724E+01
-6.501934E+01
+1.724300E+01
+5.949580E+01
diff --git a/tests/regression_tests/tallies/results_true.dat b/tests/regression_tests/tallies/results_true.dat
index 3dda0f9b2..1d3aca4b0 100644
--- a/tests/regression_tests/tallies/results_true.dat
+++ b/tests/regression_tests/tallies/results_true.dat
@@ -1 +1 @@
-ddfbb0a6f5498eb8ff33bb10beb64e244b015861919eb4837bd82855e5fd87c3ff97dfa382d3d60afa81c48d9f857fba8e0b99263e7b35587f8adb75be1fc0ec
\ No newline at end of file
+d01c3accd5b4de2aa166a77df28cfe42f5738a44c2480752fcfae7564a507362fff006b6dffb7b1dfe248e14bacef0070cabacea5d75c5996653e5605f7c7384
\ No newline at end of file
diff --git a/tests/regression_tests/tally_aggregation/results_true.dat b/tests/regression_tests/tally_aggregation/results_true.dat
index 172adbfe1..ee6263373 100644
--- a/tests/regression_tests/tally_aggregation/results_true.dat
+++ b/tests/regression_tests/tally_aggregation/results_true.dat
@@ -1,97 +1,97 @@
-[[1.6001087e-05 5.4190949e-04]
- [3.2669968e-01 1.7730523e-01]
- [1.8149266e-02 7.1525113e-01]], [[1.6239097e-05 5.7499676e-04]
- [3.1268633e-01 1.7004165e-01]
- [1.8873778e-02 7.0217885e-01]], [[1.6693071e-05 5.4106379e-04]
- [3.3370208e-01 1.8051505e-01]
- [1.9081306e-02 7.3647547e-01]], [[1.6725399e-05 5.1680146e-04]
- [3.2854628e-01 1.7757185e-01]
- [1.9529646e-02 7.1005198e-01]][[2.4751834e-07 4.3304565e-05]
- [8.6840718e-03 4.3442535e-03]
- [3.7054051e-04 6.5678133e-03]], [[4.0830852e-07 4.9612204e-05]
- [1.2104241e-02 5.9708675e-03]
- [7.1398189e-04 8.2408482e-03]], [[2.6546344e-07 2.5234256e-05]
- [6.5083211e-03 3.2185071e-03]
- [4.2935150e-04 5.1707774e-03]], [[2.7845203e-07 3.4453402e-05]
- [3.3125427e-03 1.7749508e-03]
- [6.0407731e-04 7.5353872e-03]][[1.0455251e-06 8.1938339e-04]
- [1.1392765e+00 5.6434761e-01]
- [1.4142831e-06 5.1213654e-01]], [[2.2009815e-06 1.0418935e-03]
- [1.4422554e-01 1.0070647e-01]
- [3.9488382e-05 7.9236390e-01]], [[1.4606612e-05 2.2374470e-04]
- [1.2962842e-02 2.9268594e-02]
- [3.1339824e-04 1.1056439e+00]], [[4.7805535e-05 8.9749934e-05]
- [5.1694597e-03 1.1111105e-02]
- [7.5279695e-02 4.5381305e-01]][[1.4955183e-08 1.1461548e-05]
- [1.6454649e-02 8.1236707e-03]
- [2.0028007e-08 6.8264819e-03]], [[1.6334486e-07 7.7617340e-05]
- [2.1161584e-03 1.4078445e-03]
- [1.4742097e-05 6.9350862e-03]], [[1.7444757e-07 1.9026095e-06]
- [1.4084092e-04 2.0345990e-04]
- [5.9546175e-06 8.6038812e-03]], [[5.6449127e-07 1.0110585e-06]
- [5.9158873e-05 1.2485325e-04]
- [1.0936497e-03 5.0836702e-03]][[0.2866239 0.2725595]], [[0.2729156 0.258831 ]], [[0.2920724 0.2755922]], [[0.287667  0.2703207]], [[0.035617  0.2232707]], [[0.0353082 0.2224423]], [[0.0370072 0.2288263]], [[0.0363348 0.219573 ]], [[0.0033013 0.2850034]], [[0.0032726 0.2771099]], [[0.0034234 0.2951295]], [[0.0032935 0.2778935]], [[0.0193227 0.1122647]], [[0.0200799 0.1144123]], [[0.0202971 0.1179836]], [[0.0207973 0.1203534]][[0.0086351 0.0061876]], [[0.0120688 0.0074831]], [[0.0064221 0.0035246]], [[0.0030483 0.0024267]], [[0.0009185 0.0033896]], [[0.0009223 0.0039584]], [[0.0010541 0.0038599]], [[0.0012934 0.0028331]], [[6.5126963e-05 2.8486593e-03]], [[7.1110242e-05 4.3424340e-03]], [[5.8911409e-05 2.4296178e-03]], [[8.4278765e-05 6.4182190e-03]], [[0.0003712 0.0020298]], [[0.0007152 0.0036115]], [[0.0004298 0.0019677]], [[0.0006046 0.0021965]][[2.0694650e-04]
- [4.2868191e-01]
- [1.3029457e-01]], [[1.9694048e-04]
- [4.0809445e-01]
- [1.2345525e-01]], [[2.1012645e-04]
- [4.3670571e-01]
- [1.3074883e-01]], [[2.0641548e-04]
- [4.3014207e-01]
- [1.2763930e-01]], [[0.0002584]
- [0.0608867]
- [0.1977426]], [[0.0003026]
- [0.0602368]
- [0.1972111]], [[0.0002509]
- [0.0624699]
- [0.2031126]], [[0.0002322]
- [0.0613385]
- [0.1943371]], [[5.9349736e-05]
- [1.0506741e-02]
- [2.7773865e-01]], [[5.7855564e-05]
- [1.0389781e-02]
- [2.6993483e-01]], [[6.1819700e-05]
- [1.0910874e-02]
- [2.8758020e-01]], [[5.9326317e-05]
- [1.0424040e-02]
- [2.7070367e-01]], [[3.3192167e-05]
- [3.9295320e-03]
- [1.2762462e-01]], [[3.3882691e-05]
- [4.0069157e-03]
- [1.3045143e-01]], [[3.4882103e-05]
- [4.1306182e-03]
- [1.3411514e-01]], [[3.5598508e-05]
- [4.2134987e-03]
- [1.3690156e-01]][[6.4505980e-06]
- [9.6369034e-03]
- [4.4700460e-03]], [[8.2880772e-06]
- [1.3456171e-02]
- [4.5368708e-03]], [[3.9384462e-06]
- [7.1570638e-03]
- [1.5629142e-03]], [[2.3565894e-06]
- [3.4040401e-03]
- [1.8956916e-03]], [[4.2806047e-05]
- [1.1841015e-03]
- [3.3058802e-03]], [[4.8905696e-05]
- [1.0360139e-03]
- [3.9298937e-03]], [[2.4911390e-05]
- [1.2173305e-03]
- [3.8114473e-03]], [[3.4347869e-05]
- [1.5820360e-03]
- [2.6824612e-03]], [[1.0809230e-06]
- [1.0316180e-04]
- [2.8475354e-03]], [[6.4150814e-07]
- [1.1179425e-04]
- [4.3415770e-03]], [[7.3848139e-07]
- [9.3111666e-05]
- [2.4285475e-03]], [[1.2349384e-06]
- [1.7152843e-04]
- [6.4164799e-03]], [[4.5871493e-07]
- [5.4732075e-05]
- [2.0627309e-03]], [[8.1649994e-07]
- [9.7699188e-05]
- [3.6803256e-03]], [[4.5174850e-07]
- [5.3913784e-05]
- [2.0133571e-03]], [[5.0962865e-07]
- [6.0338032e-05]
- [2.2773911e-03]]
\ No newline at end of file
+[[1.6242805e-05 6.2367673e-04]
+ [3.2895972e-01 1.7786452e-01]
+ [1.8044266e-02 7.0451122e-01]], [[1.6113947e-05 5.3572864e-04]
+ [3.1517504e-01 1.7132833e-01]
+ [1.8305682e-02 7.0072832e-01]], [[1.6472052e-05 5.5758006e-04]
+ [3.2362364e-01 1.7597163e-01]
+ [1.9107080e-02 7.2600440e-01]], [[1.6693277e-05 4.9204218e-04]
+ [3.2429262e-01 1.7600573e-01]
+ [1.9042489e-02 7.3053854e-01]][[2.9719061e-07 8.0925438e-05]
+ [8.9432259e-03 4.4057583e-03]
+ [5.2078407e-04 6.4387688e-03]], [[1.8572081e-07 2.5667235e-05]
+ [1.1641603e-02 5.7444311e-03]
+ [2.6983611e-04 6.9783224e-03]], [[2.4994113e-07 5.4993390e-05]
+ [6.0464041e-03 3.0764811e-03]
+ [2.6559118e-04 7.7279780e-03]], [[2.5965232e-07 3.9618775e-05]
+ [1.0409564e-02 5.1850104e-03]
+ [2.7831231e-04 7.4480576e-03]][[1.0329435e-06 8.0861229e-04]
+ [1.1265142e+00 5.5796079e-01]
+ [1.3965860e-06 5.0338828e-01]], [[2.2264172e-06 1.0828687e-03]
+ [1.4724979e-01 1.0226107e-01]
+ [2.2656045e-05 7.7618945e-01]], [[1.4789782e-05 2.2786630e-04]
+ [1.3149968e-02 2.9847169e-02]
+ [3.2638111e-04 1.1287326e+00]], [[4.7472938e-05 8.9680338e-05]
+ [5.1371041e-03 1.1101179e-02]
+ [7.4149084e-02 4.5347217e-01]][[1.7024771e-08 1.2878244e-05]
+ [1.8795566e-02 9.2705008e-03]
+ [2.2676749e-08 7.0878353e-03]], [[2.2018925e-07 1.0785388e-04]
+ [2.6715019e-03 1.6657928e-03]
+ [1.2479083e-05 8.6814018e-03]], [[2.0928485e-07 1.6600875e-06]
+ [1.1859535e-04 1.7969083e-04]
+ [1.5981387e-05 8.0489308e-03]], [[4.0016381e-07 7.6799157e-07]
+ [4.4157583e-05 9.4462925e-05]
+ [7.0115110e-04 3.8678806e-03]][[0.287433  0.2698042]], [[0.2751228 0.2598525]], [[0.280516  0.2648274]], [[0.2834448 0.2676736]], [[0.0370558 0.2148509]], [[0.0355217 0.2130189]], [[0.0385317 0.2292804]], [[0.0361655 0.2223832]], [[0.0033268 0.2855078]], [[0.0033498 0.2849403]], [[0.003359  0.2901157]], [[0.0034555 0.2982438]], [[0.0192046 0.1128364]], [[0.0195026 0.1147807]], [[0.0203405 0.1183102]], [[0.0202861 0.1187358]][[0.00889   0.0051934]], [[0.0115249 0.0072767]], [[0.0058841 0.0040289]], [[0.0103341 0.0063266]], [[0.0009734 0.0048865]], [[0.0016425 0.0038133]], [[0.0013902 0.0048875]], [[0.0012487 0.0039808]], [[1.8994140e-05 2.0410145e-03]], [[6.8277082e-05 3.4865782e-03]], [[6.1643568e-05 4.9220817e-03]], [[7.4147413e-05 4.9263295e-03]], [[0.0005213 0.0024208]], [[0.0002702 0.0014313]], [[0.0002665 0.0022006]], [[0.0002788 0.0014892]][[2.0601081e-04]
+ [4.2976789e-01]
+ [1.2726338e-01]], [[1.9802070e-04]
+ [4.1138025e-01]
+ [1.2339705e-01]], [[2.0174854e-04]
+ [4.1947542e-01]
+ [1.2566615e-01]], [[2.0386518e-04]
+ [4.2385140e-01]
+ [1.2706310e-01]], [[0.0003403]
+ [0.0624955]
+ [0.189071 ]], [[0.0002601]
+ [0.060449 ]
+ [0.1878314]], [[0.0002765]
+ [0.0652412]
+ [0.2022944]], [[0.0002082]
+ [0.0613252]
+ [0.1970153]], [[6.0336874e-05]
+ [1.0617692e-02]
+ [2.7815664e-01]], [[5.9823997e-05]
+ [1.0664059e-02]
+ [2.7756620e-01]], [[6.0873689e-05]
+ [1.0744209e-02]
+ [2.8266963e-01]], [[6.1621521e-05]
+ [1.0971177e-02]
+ [2.9066650e-01]], [[3.3297391e-05]
+ [3.9432037e-03]
+ [1.2806450e-01]], [[3.3863464e-05]
+ [4.0100180e-03]
+ [1.3023932e-01]], [[3.4930617e-05]
+ [4.1344613e-03]
+ [1.3448129e-01]], [[3.5061805e-05]
+ [4.1505999e-03]
+ [1.3483614e-01]][[5.8259835e-06]
+ [9.9096571e-03]
+ [2.7933778e-03]], [[8.0858909e-06]
+ [1.2843377e-02]
+ [4.5631248e-03]], [[4.3418585e-06]
+ [6.5638646e-03]
+ [2.7874612e-03]], [[6.9046376e-06]
+ [1.1531588e-02]
+ [3.7205377e-03]], [[8.0710599e-05]
+ [1.0889301e-03]
+ [4.8613465e-03]], [[2.4337121e-05]
+ [1.8861117e-03]
+ [3.6987509e-03]], [[5.4812439e-05]
+ [1.7085353e-03]
+ [4.7852139e-03]], [[3.9007791e-05]
+ [1.4998363e-03]
+ [3.8929646e-03]], [[7.5757577e-07]
+ [2.5845755e-05]
+ [2.0409391e-03]], [[1.0302346e-06]
+ [1.1907557e-04]
+ [3.4852130e-03]], [[9.1936614e-07]
+ [1.2974020e-04]
+ [4.9207575e-03]], [[5.6493555e-07]
+ [1.2113685e-04]
+ [4.9253980e-03]], [[5.4602210e-07]
+ [6.5233025e-05]
+ [2.4754550e-03]], [[3.2091909e-07]
+ [3.8472906e-05]
+ [1.4560974e-03]], [[4.8475651e-07]
+ [5.9108262e-05]
+ [2.2158781e-03]], [[3.3737822e-07]
+ [4.0544269e-05]
+ [1.5145628e-03]]
\ No newline at end of file
diff --git a/tests/regression_tests/tally_arithmetic/results_true.dat b/tests/regression_tests/tally_arithmetic/results_true.dat
index 143930dd4..baa380587 100644
--- a/tests/regression_tests/tally_arithmetic/results_true.dat
+++ b/tests/regression_tests/tally_arithmetic/results_true.dat
@@ -1,49 +1,49 @@
-[2.04229e-07 1.28343e-13 1.79333e-04 1.12698e-10 1.89952e-07 1.51210e-07
- 1.66796e-04 1.32777e-04 6.13215e-03 3.85362e-09 3.14746e-03 1.97795e-09
- 5.70345e-03 4.54021e-03 2.92742e-03 2.33037e-03 2.10575e-07 1.28419e-13
- 1.84905e-04 1.12764e-10 1.89188e-07 1.50221e-07 1.66125e-04 1.31908e-04
- 6.32269e-03 3.85587e-09 3.24526e-03 1.97911e-09 5.68054e-03 4.51051e-03
- 2.91566e-03 2.31512e-03 1.96696e-07 1.26388e-13 1.72718e-04 1.10981e-10
- 1.91283e-07 1.53449e-07 1.67964e-04 1.34743e-04 5.90596e-03 3.79491e-09
- 3.03136e-03 1.94782e-09 5.74342e-03 4.60742e-03 2.94794e-03 2.36486e-03
- 2.06016e-07 1.35264e-13 1.80901e-04 1.18775e-10 2.05873e-07 1.65814e-07
- 1.80776e-04 1.45600e-04 6.18579e-03 4.06142e-09 3.17499e-03 2.08461e-09
- 6.18150e-03 4.97869e-03 3.17279e-03 2.55542e-03 2.36089e-03 4.46651e-05
- 1.02263e-02 1.93469e-04 1.18179e-04 2.62375e-05 5.11897e-04 1.13649e-04
- 2.56040e-02 4.84394e-04 4.55595e-02 8.61927e-04 1.28165e-03 2.84546e-04
- 2.28056e-03 5.06320e-04 2.29877e-03 4.53056e-05 9.95724e-03 1.96244e-04
- 1.14803e-04 2.57898e-05 4.97276e-04 1.11710e-04 2.49302e-02 4.91340e-04
- 4.43606e-02 8.74289e-04 1.24504e-03 2.79691e-04 2.21542e-03 4.97680e-04
- 2.31940e-03 4.34238e-05 1.00466e-02 1.88093e-04 1.17620e-04 2.69280e-05
- 5.09479e-04 1.16640e-04 2.51540e-02 4.70932e-04 4.47588e-02 8.37974e-04
- 1.27560e-03 2.92034e-04 2.26979e-03 5.19644e-04 2.19212e-03 4.53914e-05
- 9.49530e-03 1.96615e-04 1.09609e-04 2.41615e-05 4.74778e-04 1.04657e-04
- 2.37736e-02 4.92271e-04 4.23026e-02 8.75944e-04 1.18871e-03 2.62032e-04
- 2.11519e-03 4.66257e-04][2.04229e-07 1.28343e-13 1.79333e-04 1.12698e-10 1.89952e-07 1.51210e-07
- 1.66796e-04 1.32777e-04 6.13215e-03 3.85362e-09 3.14746e-03 1.97795e-09
- 5.70345e-03 4.54021e-03 2.92742e-03 2.33037e-03 2.10575e-07 1.28419e-13
- 1.84905e-04 1.12764e-10 1.89188e-07 1.50221e-07 1.66125e-04 1.31908e-04
- 6.32269e-03 3.85587e-09 3.24526e-03 1.97911e-09 5.68054e-03 4.51051e-03
- 2.91566e-03 2.31512e-03 1.96696e-07 1.26388e-13 1.72718e-04 1.10981e-10
- 1.91283e-07 1.53449e-07 1.67964e-04 1.34743e-04 5.90596e-03 3.79491e-09
- 3.03136e-03 1.94782e-09 5.74342e-03 4.60742e-03 2.94794e-03 2.36486e-03
- 2.06016e-07 1.35264e-13 1.80901e-04 1.18775e-10 2.05873e-07 1.65814e-07
- 1.80776e-04 1.45600e-04 6.18579e-03 4.06142e-09 3.17499e-03 2.08461e-09
- 6.18150e-03 4.97869e-03 3.17279e-03 2.55542e-03 2.36089e-03 4.46651e-05
- 1.02263e-02 1.93469e-04 1.18179e-04 2.62375e-05 5.11897e-04 1.13649e-04
- 2.56040e-02 4.84394e-04 4.55595e-02 8.61927e-04 1.28165e-03 2.84546e-04
- 2.28056e-03 5.06320e-04 2.29877e-03 4.53056e-05 9.95724e-03 1.96244e-04
- 1.14803e-04 2.57898e-05 4.97276e-04 1.11710e-04 2.49302e-02 4.91340e-04
- 4.43606e-02 8.74289e-04 1.24504e-03 2.79691e-04 2.21542e-03 4.97680e-04
- 2.31940e-03 4.34238e-05 1.00466e-02 1.88093e-04 1.17620e-04 2.69280e-05
- 5.09479e-04 1.16640e-04 2.51540e-02 4.70932e-04 4.47588e-02 8.37974e-04
- 1.27560e-03 2.92034e-04 2.26979e-03 5.19644e-04 2.19212e-03 4.53914e-05
- 9.49530e-03 1.96615e-04 1.09609e-04 2.41615e-05 4.74778e-04 1.04657e-04
- 2.37736e-02 4.92271e-04 4.23026e-02 8.75944e-04 1.18871e-03 2.62032e-04
- 2.11519e-03 4.66257e-04][0.0057  0.00454 0.00293 0.00233 0.00568 0.00451 0.00292 0.00232 0.00574
- 0.00461 0.00295 0.00236 0.00618 0.00498 0.00317 0.00256 0.00128 0.00028
- 0.00228 0.00051 0.00125 0.00028 0.00222 0.0005  0.00128 0.00029 0.00227
- 0.00052 0.00119 0.00026 0.00212 0.00047][0.00018 0.00017 0.00315 0.00293 0.00018 0.00017 0.00325 0.00292 0.00017
- 0.00017 0.00303 0.00295 0.00018 0.00018 0.00317 0.00317 0.01023 0.00051
- 0.04556 0.00228 0.00996 0.0005  0.04436 0.00222 0.01005 0.00051 0.04476
- 0.00227 0.0095  0.00047 0.0423  0.00212][0.00293 0.00292 0.00295 0.00317 0.00228 0.00222 0.00227 0.00212]
\ No newline at end of file
+[2.29467e-07 1.47622e-13 2.02646e-04 1.30367e-10 2.20704e-07 1.76624e-07
+ 1.94907e-04 1.55980e-04 6.32267e-03 4.06754e-09 3.26873e-03 2.10286e-09
+ 6.08121e-03 4.86666e-03 3.14390e-03 2.51599e-03 1.89223e-07 1.06256e-13
+ 1.67106e-04 9.38364e-11 1.53300e-07 1.20220e-07 1.35382e-04 1.06168e-04
+ 5.21380e-03 2.92775e-09 2.69546e-03 1.51361e-09 4.22399e-03 3.31252e-03
+ 2.18374e-03 1.71253e-03 2.21146e-07 1.41349e-13 1.95297e-04 1.24828e-10
+ 2.11844e-07 1.69398e-07 1.87083e-04 1.49598e-04 6.09339e-03 3.89470e-09
+ 3.15020e-03 2.01351e-09 5.83710e-03 4.66754e-03 3.01770e-03 2.41305e-03
+ 1.92872e-07 1.05908e-13 1.70328e-04 9.35293e-11 1.59466e-07 1.25399e-07
+ 1.40827e-04 1.10741e-04 5.31433e-03 2.91817e-09 2.74744e-03 1.50865e-09
+ 4.39388e-03 3.45520e-03 2.27158e-03 1.78629e-03 2.44601e-03 4.71663e-05
+ 1.09430e-02 2.11013e-04 1.23573e-04 2.76181e-05 5.52841e-04 1.23558e-04
+ 2.71755e-02 5.24023e-04 4.76200e-02 9.18253e-04 1.37291e-03 3.06841e-04
+ 2.40577e-03 5.37681e-04 2.29014e-03 4.44674e-05 1.02456e-02 1.98938e-04
+ 1.12524e-04 2.48126e-05 5.03411e-04 1.11007e-04 2.54438e-02 4.94038e-04
+ 4.45855e-02 8.65710e-04 1.25016e-03 2.75671e-04 2.19067e-03 4.83061e-04
+ 2.38500e-03 4.58053e-05 1.06700e-02 2.04924e-04 1.22899e-04 2.95267e-05
+ 5.49826e-04 1.32097e-04 2.64977e-02 5.08903e-04 4.64323e-02 8.91758e-04
+ 1.36542e-03 3.28045e-04 2.39265e-03 5.74839e-04 2.17094e-03 4.21772e-05
+ 9.71236e-03 1.88693e-04 1.09358e-04 2.46984e-05 4.89245e-04 1.10496e-04
+ 2.41194e-02 4.68594e-04 4.22648e-02 8.21124e-04 1.21498e-03 2.74402e-04
+ 2.12902e-03 4.80839e-04][2.29467e-07 1.47622e-13 2.02646e-04 1.30367e-10 2.20704e-07 1.76624e-07
+ 1.94907e-04 1.55980e-04 6.32267e-03 4.06754e-09 3.26873e-03 2.10286e-09
+ 6.08121e-03 4.86666e-03 3.14390e-03 2.51599e-03 1.89223e-07 1.06256e-13
+ 1.67106e-04 9.38364e-11 1.53300e-07 1.20220e-07 1.35382e-04 1.06168e-04
+ 5.21380e-03 2.92775e-09 2.69546e-03 1.51361e-09 4.22399e-03 3.31252e-03
+ 2.18374e-03 1.71253e-03 2.21146e-07 1.41349e-13 1.95297e-04 1.24828e-10
+ 2.11844e-07 1.69398e-07 1.87083e-04 1.49598e-04 6.09339e-03 3.89470e-09
+ 3.15020e-03 2.01351e-09 5.83710e-03 4.66754e-03 3.01770e-03 2.41305e-03
+ 1.92872e-07 1.05908e-13 1.70328e-04 9.35293e-11 1.59466e-07 1.25399e-07
+ 1.40827e-04 1.10741e-04 5.31433e-03 2.91817e-09 2.74744e-03 1.50865e-09
+ 4.39388e-03 3.45520e-03 2.27158e-03 1.78629e-03 2.44601e-03 4.71663e-05
+ 1.09430e-02 2.11013e-04 1.23573e-04 2.76181e-05 5.52841e-04 1.23558e-04
+ 2.71755e-02 5.24023e-04 4.76200e-02 9.18253e-04 1.37291e-03 3.06841e-04
+ 2.40577e-03 5.37681e-04 2.29014e-03 4.44674e-05 1.02456e-02 1.98938e-04
+ 1.12524e-04 2.48126e-05 5.03411e-04 1.11007e-04 2.54438e-02 4.94038e-04
+ 4.45855e-02 8.65710e-04 1.25016e-03 2.75671e-04 2.19067e-03 4.83061e-04
+ 2.38500e-03 4.58053e-05 1.06700e-02 2.04924e-04 1.22899e-04 2.95267e-05
+ 5.49826e-04 1.32097e-04 2.64977e-02 5.08903e-04 4.64323e-02 8.91758e-04
+ 1.36542e-03 3.28045e-04 2.39265e-03 5.74839e-04 2.17094e-03 4.21772e-05
+ 9.71236e-03 1.88693e-04 1.09358e-04 2.46984e-05 4.89245e-04 1.10496e-04
+ 2.41194e-02 4.68594e-04 4.22648e-02 8.21124e-04 1.21498e-03 2.74402e-04
+ 2.12902e-03 4.80839e-04][0.00608 0.00487 0.00314 0.00252 0.00422 0.00331 0.00218 0.00171 0.00584
+ 0.00467 0.00302 0.00241 0.00439 0.00346 0.00227 0.00179 0.00137 0.00031
+ 0.00241 0.00054 0.00125 0.00028 0.00219 0.00048 0.00137 0.00033 0.00239
+ 0.00057 0.00121 0.00027 0.00213 0.00048][0.0002  0.00019 0.00327 0.00314 0.00017 0.00014 0.0027  0.00218 0.0002
+ 0.00019 0.00315 0.00302 0.00017 0.00014 0.00275 0.00227 0.01094 0.00055
+ 0.04762 0.00241 0.01025 0.0005  0.04459 0.00219 0.01067 0.00055 0.04643
+ 0.00239 0.00971 0.00049 0.04226 0.00213][0.00314 0.00218 0.00302 0.00227 0.00241 0.00219 0.00239 0.00213]
\ No newline at end of file
diff --git a/tests/regression_tests/tally_assumesep/results_true.dat b/tests/regression_tests/tally_assumesep/results_true.dat
index 9d7cbf9c3..c9ccf0928 100644
--- a/tests/regression_tests/tally_assumesep/results_true.dat
+++ b/tests/regression_tests/tally_assumesep/results_true.dat
@@ -1,11 +1,11 @@
 k-combined:
-5.683578E-01 1.129170E-02
+6.268465E-01 1.154810E-02
 tally 1:
-6.753950E+00
-9.188305E+00
+7.828708E+00
+1.230478E+01
 tally 2:
-2.278558E-01
-1.052944E-02
+2.582239E-01
+1.360117E-02
 tally 3:
-1.179091E+01
-2.795539E+01
+1.339335E+01
+3.663458E+01
diff --git a/tests/regression_tests/tally_nuclides/results_true.dat b/tests/regression_tests/tally_nuclides/results_true.dat
index 7f9641fc8..93a0e03fb 100644
--- a/tests/regression_tests/tally_nuclides/results_true.dat
+++ b/tests/regression_tests/tally_nuclides/results_true.dat
@@ -1,28 +1,28 @@
 k-combined:
-1.132463E+00 5.721067E-02
+9.732610E-01 1.400780E-02
 tally 1:
-7.310528E+00
-1.080411E+01
-1.664215E+00
-5.567756E-01
-1.609340E+00
-5.205634E-01
-5.646313E+00
-6.459724E+00
-7.310528E+00
-1.080411E+01
-1.664215E+00
-5.567756E-01
-1.609340E+00
-5.205634E-01
-5.646313E+00
-6.459724E+00
+7.123025E+00
+1.021136E+01
+1.619905E+00
+5.258592E-01
+1.561322E+00
+4.881841E-01
+5.503120E+00
+6.105683E+00
+7.123025E+00
+1.021136E+01
+1.619905E+00
+5.258592E-01
+1.561322E+00
+4.881841E-01
+5.503120E+00
+6.105683E+00
 tally 2:
-7.310528E+00
-1.080411E+01
-1.664215E+00
-5.567756E-01
-1.609340E+00
-5.205634E-01
-5.646313E+00
-6.459724E+00
+7.123025E+00
+1.021136E+01
+1.619905E+00
+5.258592E-01
+1.561322E+00
+4.881841E-01
+5.503120E+00
+6.105683E+00
diff --git a/tests/regression_tests/tally_slice_merge/results_true.dat b/tests/regression_tests/tally_slice_merge/results_true.dat
index 58b15fc18..4b2cbdf1a 100644
--- a/tests/regression_tests/tally_slice_merge/results_true.dat
+++ b/tests/regression_tests/tally_slice_merge/results_true.dat
@@ -1,45 +1,45 @@
    cell  energy low [eV]  energy high [eV] nuclide    score     mean  std. dev.
-0    21         0.00e+00          6.25e-01    U235  fission 1.75e-01   1.20e-02   cell  energy low [eV]  energy high [eV] nuclide       score     mean  std. dev.
-0    21         0.00e+00          6.25e-01    U235  nu-fission 4.26e-01   2.92e-02   cell  energy low [eV]  energy high [eV] nuclide    score     mean  std. dev.
-0    21         0.00e+00          6.25e-01    U238  fission 2.41e-07   1.61e-08   cell  energy low [eV]  energy high [eV] nuclide       score     mean  std. dev.
-0    21         0.00e+00          6.25e-01    U238  nu-fission 6.00e-07   4.01e-08   cell  energy low [eV]  energy high [eV] nuclide    score     mean  std. dev.
-0    21         6.25e-01          2.00e+07    U235  fission 2.89e-02   2.07e-03   cell  energy low [eV]  energy high [eV] nuclide       score     mean  std. dev.
-0    21         6.25e-01          2.00e+07    U235  nu-fission 7.07e-02   5.06e-03   cell  energy low [eV]  energy high [eV] nuclide    score     mean  std. dev.
-0    21         6.25e-01          2.00e+07    U238  fission 1.41e-02   5.76e-04   cell  energy low [eV]  energy high [eV] nuclide       score     mean  std. dev.
-0    21         6.25e-01          2.00e+07    U238  nu-fission 3.95e-02   1.90e-03   cell  energy low [eV]  energy high [eV] nuclide    score     mean  std. dev.
-0    27         0.00e+00          6.25e-01    U235  fission 1.51e-01   1.17e-02   cell  energy low [eV]  energy high [eV] nuclide       score     mean  std. dev.
-0    27         0.00e+00          6.25e-01    U235  nu-fission 3.69e-01   2.86e-02   cell  energy low [eV]  energy high [eV] nuclide    score     mean  std. dev.
-0    27         0.00e+00          6.25e-01    U238  fission 2.07e-07   1.47e-08   cell  energy low [eV]  energy high [eV] nuclide       score     mean  std. dev.
-0    27         0.00e+00          6.25e-01    U238  nu-fission 5.17e-07   3.66e-08   cell  energy low [eV]  energy high [eV] nuclide    score     mean  std. dev.
-0    27         6.25e-01          2.00e+07    U235  fission 2.57e-02   2.43e-03   cell  energy low [eV]  energy high [eV] nuclide       score     mean  std. dev.
-0    27         6.25e-01          2.00e+07    U235  nu-fission 6.30e-02   5.92e-03   cell  energy low [eV]  energy high [eV] nuclide    score     mean  std. dev.
-0    27         6.25e-01          2.00e+07    U238  fission 1.47e-02   1.41e-03   cell  energy low [eV]  energy high [eV] nuclide       score     mean  std. dev.
-0    27         6.25e-01          2.00e+07    U238  nu-fission 4.12e-02   4.02e-03    cell  energy low [eV]  energy high [eV] nuclide       score     mean  std. dev.
-0     21         0.00e+00          6.25e-01    U235     fission 1.75e-01   1.20e-02
-1     21         0.00e+00          6.25e-01    U235  nu-fission 4.26e-01   2.92e-02
-2     21         0.00e+00          6.25e-01    U238     fission 2.41e-07   1.61e-08
-3     21         0.00e+00          6.25e-01    U238  nu-fission 6.00e-07   4.01e-08
-4     21         6.25e-01          2.00e+07    U235     fission 2.89e-02   2.07e-03
-5     21         6.25e-01          2.00e+07    U235  nu-fission 7.07e-02   5.06e-03
-6     21         6.25e-01          2.00e+07    U238     fission 1.41e-02   5.76e-04
-7     21         6.25e-01          2.00e+07    U238  nu-fission 3.95e-02   1.90e-03
-8     27         0.00e+00          6.25e-01    U235     fission 1.51e-01   1.17e-02
-9     27         0.00e+00          6.25e-01    U235  nu-fission 3.69e-01   2.86e-02
-10    27         0.00e+00          6.25e-01    U238     fission 2.07e-07   1.47e-08
-11    27         0.00e+00          6.25e-01    U238  nu-fission 5.17e-07   3.66e-08
-12    27         6.25e-01          2.00e+07    U235     fission 2.57e-02   2.43e-03
-13    27         6.25e-01          2.00e+07    U235  nu-fission 6.30e-02   5.92e-03
-14    27         6.25e-01          2.00e+07    U238     fission 1.47e-02   1.41e-03
-15    27         6.25e-01          2.00e+07    U238  nu-fission 4.12e-02   4.02e-03
+0    21         0.00e+00          6.25e-01    U235  fission 1.93e-01   1.92e-02   cell  energy low [eV]  energy high [eV] nuclide       score     mean  std. dev.
+0    21         0.00e+00          6.25e-01    U235  nu-fission 4.70e-01   4.67e-02   cell  energy low [eV]  energy high [eV] nuclide    score     mean  std. dev.
+0    21         0.00e+00          6.25e-01    U238  fission 2.65e-07   2.60e-08   cell  energy low [eV]  energy high [eV] nuclide       score     mean  std. dev.
+0    21         0.00e+00          6.25e-01    U238  nu-fission 6.60e-07   6.47e-08   cell  energy low [eV]  energy high [eV] nuclide    score     mean  std. dev.
+0    21         6.25e-01          2.00e+07    U235  fission 3.39e-02   1.53e-03   cell  energy low [eV]  energy high [eV] nuclide       score     mean  std. dev.
+0    21         6.25e-01          2.00e+07    U235  nu-fission 8.30e-02   3.75e-03   cell  energy low [eV]  energy high [eV] nuclide    score     mean  std. dev.
+0    21         6.25e-01          2.00e+07    U238  fission 1.70e-02   2.01e-03   cell  energy low [eV]  energy high [eV] nuclide       score     mean  std. dev.
+0    21         6.25e-01          2.00e+07    U238  nu-fission 4.76e-02   6.12e-03   cell  energy low [eV]  energy high [eV] nuclide    score     mean  std. dev.
+0    27         0.00e+00          6.25e-01    U235  fission 7.61e-02   5.84e-03   cell  energy low [eV]  energy high [eV] nuclide       score     mean  std. dev.
+0    27         0.00e+00          6.25e-01    U235  nu-fission 1.85e-01   1.42e-02   cell  energy low [eV]  energy high [eV] nuclide    score     mean  std. dev.
+0    27         0.00e+00          6.25e-01    U238  fission 1.06e-07   7.62e-09   cell  energy low [eV]  energy high [eV] nuclide       score     mean  std. dev.
+0    27         0.00e+00          6.25e-01    U238  nu-fission 2.64e-07   1.90e-08   cell  energy low [eV]  energy high [eV] nuclide    score     mean  std. dev.
+0    27         6.25e-01          2.00e+07    U235  fission 1.69e-02   1.34e-03   cell  energy low [eV]  energy high [eV] nuclide       score     mean  std. dev.
+0    27         6.25e-01          2.00e+07    U235  nu-fission 4.15e-02   3.29e-03   cell  energy low [eV]  energy high [eV] nuclide    score     mean  std. dev.
+0    27         6.25e-01          2.00e+07    U238  fission 1.10e-02   1.69e-03   cell  energy low [eV]  energy high [eV] nuclide       score     mean  std. dev.
+0    27         6.25e-01          2.00e+07    U238  nu-fission 3.13e-02   5.35e-03    cell  energy low [eV]  energy high [eV] nuclide       score     mean  std. dev.
+0     21         0.00e+00          6.25e-01    U235     fission 1.93e-01   1.92e-02
+1     21         0.00e+00          6.25e-01    U235  nu-fission 4.70e-01   4.67e-02
+2     21         0.00e+00          6.25e-01    U238     fission 2.65e-07   2.60e-08
+3     21         0.00e+00          6.25e-01    U238  nu-fission 6.60e-07   6.47e-08
+4     21         6.25e-01          2.00e+07    U235     fission 3.39e-02   1.53e-03
+5     21         6.25e-01          2.00e+07    U235  nu-fission 8.30e-02   3.75e-03
+6     21         6.25e-01          2.00e+07    U238     fission 1.70e-02   2.01e-03
+7     21         6.25e-01          2.00e+07    U238  nu-fission 4.76e-02   6.12e-03
+8     27         0.00e+00          6.25e-01    U235     fission 7.61e-02   5.84e-03
+9     27         0.00e+00          6.25e-01    U235  nu-fission 1.85e-01   1.42e-02
+10    27         0.00e+00          6.25e-01    U238     fission 1.06e-07   7.62e-09
+11    27         0.00e+00          6.25e-01    U238  nu-fission 2.64e-07   1.90e-08
+12    27         6.25e-01          2.00e+07    U235     fission 1.69e-02   1.34e-03
+13    27         6.25e-01          2.00e+07    U235  nu-fission 4.15e-02   3.29e-03
+14    27         6.25e-01          2.00e+07    U238     fission 1.10e-02   1.69e-03
+15    27         6.25e-01          2.00e+07    U238  nu-fission 3.13e-02   5.35e-03
          sum(distribcell)  energy low [eV]  energy high [eV] nuclide       score     mean  std. dev.
 0   (0, 100, 2000, 30000)         0.00e+00          6.25e-01    U235     fission 0.00e+00   0.00e+00
 1   (0, 100, 2000, 30000)         0.00e+00          6.25e-01    U235  nu-fission 0.00e+00   0.00e+00
 2   (0, 100, 2000, 30000)         0.00e+00          6.25e-01    U238     fission 0.00e+00   0.00e+00
 3   (0, 100, 2000, 30000)         0.00e+00          6.25e-01    U238  nu-fission 0.00e+00   0.00e+00
-4   (0, 100, 2000, 30000)         6.25e-01          2.00e+07    U235     fission 9.53e-07   9.53e-07
-5   (0, 100, 2000, 30000)         6.25e-01          2.00e+07    U235  nu-fission 2.37e-06   2.37e-06
-6   (0, 100, 2000, 30000)         6.25e-01          2.00e+07    U238     fission 1.25e-08   1.25e-08
-7   (0, 100, 2000, 30000)         6.25e-01          2.00e+07    U238  nu-fission 3.15e-08   3.15e-08
+4   (0, 100, 2000, 30000)         6.25e-01          2.00e+07    U235     fission 0.00e+00   0.00e+00
+5   (0, 100, 2000, 30000)         6.25e-01          2.00e+07    U235  nu-fission 0.00e+00   0.00e+00
+6   (0, 100, 2000, 30000)         6.25e-01          2.00e+07    U238     fission 0.00e+00   0.00e+00
+7   (0, 100, 2000, 30000)         6.25e-01          2.00e+07    U238  nu-fission 0.00e+00   0.00e+00
 8      (500, 5000, 50000)         0.00e+00          6.25e-01    U235     fission 0.00e+00   0.00e+00
 9      (500, 5000, 50000)         0.00e+00          6.25e-01    U235  nu-fission 0.00e+00   0.00e+00
 10     (500, 5000, 50000)         0.00e+00          6.25e-01    U238     fission 0.00e+00   0.00e+00
@@ -49,19 +49,19 @@
 14     (500, 5000, 50000)         6.25e-01          2.00e+07    U238     fission 0.00e+00   0.00e+00
 15     (500, 5000, 50000)         6.25e-01          2.00e+07    U238  nu-fission 0.00e+00   0.00e+00
            sum(mesh)  energy low [eV]  energy high [eV] nuclide       score     mean  std. dev.
-0   ((1, 1), (1, 2))         0.00e+00          6.25e-01    U235     fission 6.73e-03   3.04e-03
-1   ((1, 1), (1, 2))         0.00e+00          6.25e-01    U235  nu-fission 1.64e-02   7.40e-03
-2   ((1, 1), (1, 2))         0.00e+00          6.25e-01    U238     fission 8.80e-09   3.84e-09
-3   ((1, 1), (1, 2))         0.00e+00          6.25e-01    U238  nu-fission 2.19e-08   9.56e-09
-4   ((1, 1), (1, 2))         6.25e-01          2.00e+07    U235     fission 9.89e-04   3.53e-04
-5   ((1, 1), (1, 2))         6.25e-01          2.00e+07    U235  nu-fission 2.42e-03   8.60e-04
-6   ((1, 1), (1, 2))         6.25e-01          2.00e+07    U238     fission 5.01e-04   2.13e-04
-7   ((1, 1), (1, 2))         6.25e-01          2.00e+07    U238  nu-fission 1.36e-03   5.86e-04
-8   ((2, 1), (2, 2))         0.00e+00          6.25e-01    U235     fission 1.63e-02   4.21e-03
-9   ((2, 1), (2, 2))         0.00e+00          6.25e-01    U235  nu-fission 3.98e-02   1.02e-02
-10  ((2, 1), (2, 2))         0.00e+00          6.25e-01    U238     fission 2.28e-08   5.90e-09
-11  ((2, 1), (2, 2))         0.00e+00          6.25e-01    U238  nu-fission 5.67e-08   1.47e-08
-12  ((2, 1), (2, 2))         6.25e-01          2.00e+07    U235     fission 1.79e-03   4.31e-04
-13  ((2, 1), (2, 2))         6.25e-01          2.00e+07    U235  nu-fission 4.37e-03   1.05e-03
-14  ((2, 1), (2, 2))         6.25e-01          2.00e+07    U238     fission 7.51e-04   2.51e-04
-15  ((2, 1), (2, 2))         6.25e-01          2.00e+07    U238  nu-fission 2.02e-03   6.71e-04
+0   ((1, 1), (1, 2))         0.00e+00          6.25e-01    U235     fission 1.94e-03   1.03e-03
+1   ((1, 1), (1, 2))         0.00e+00          6.25e-01    U235  nu-fission 4.74e-03   2.50e-03
+2   ((1, 1), (1, 2))         0.00e+00          6.25e-01    U238     fission 2.74e-09   1.42e-09
+3   ((1, 1), (1, 2))         0.00e+00          6.25e-01    U238  nu-fission 6.83e-09   3.53e-09
+4   ((1, 1), (1, 2))         6.25e-01          2.00e+07    U235     fission 9.02e-04   3.69e-04
+5   ((1, 1), (1, 2))         6.25e-01          2.00e+07    U235  nu-fission 2.24e-03   9.12e-04
+6   ((1, 1), (1, 2))         6.25e-01          2.00e+07    U238     fission 1.44e-03   8.42e-04
+7   ((1, 1), (1, 2))         6.25e-01          2.00e+07    U238  nu-fission 4.37e-03   2.64e-03
+8   ((2, 1), (2, 2))         0.00e+00          6.25e-01    U235     fission 1.27e-02   2.76e-03
+9   ((2, 1), (2, 2))         0.00e+00          6.25e-01    U235  nu-fission 3.09e-02   6.72e-03
+10  ((2, 1), (2, 2))         0.00e+00          6.25e-01    U238     fission 1.70e-08   3.57e-09
+11  ((2, 1), (2, 2))         0.00e+00          6.25e-01    U238  nu-fission 4.25e-08   8.90e-09
+12  ((2, 1), (2, 2))         6.25e-01          2.00e+07    U235     fission 1.43e-03   1.69e-04
+13  ((2, 1), (2, 2))         6.25e-01          2.00e+07    U235  nu-fission 3.52e-03   4.20e-04
+14  ((2, 1), (2, 2))         6.25e-01          2.00e+07    U238     fission 1.37e-03   2.98e-04
+15  ((2, 1), (2, 2))         6.25e-01          2.00e+07    U238  nu-fission 4.16e-03   1.08e-03
diff --git a/tests/regression_tests/torus/results_true.dat b/tests/regression_tests/torus/results_true.dat
index 42fb209cc..84cd3c7a4 100644
--- a/tests/regression_tests/torus/results_true.dat
+++ b/tests/regression_tests/torus/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-7.667201E-01 1.136882E-02
+7.666453E-01 1.478848E-02
diff --git a/tests/regression_tests/trace/results_true.dat b/tests/regression_tests/trace/results_true.dat
index bbf03de94..97b997ae6 100644
--- a/tests/regression_tests/trace/results_true.dat
+++ b/tests/regression_tests/trace/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-3.070134E-01 3.900396E-03
+2.940336E-01 7.338463E-04
diff --git a/tests/regression_tests/track_output/results_true.dat b/tests/regression_tests/track_output/results_true.dat
index 148b54a30..205ac3eec 100644
--- a/tests/regression_tests/track_output/results_true.dat
+++ b/tests/regression_tests/track_output/results_true.dat
@@ -143,76 +143,74 @@ neutron [((-9.469716e-01, -2.580266e-01, 1.414357e-01), (1.438873e-01, 2.365819e
  ((-3.920090e+00, -9.211794e-01, 2.908406e+00), (9.094673e-01, -3.659267e-01, -1.974002e-01), 9.547085e+00, 1.260840e-07, 1.000000e+00, 23, 2387, 1)
  ((-3.729948e+00, -9.976834e-01, 2.867135e+00), (-2.916959e-01, -6.494657e-01, -7.022164e-01), 8.590591e+00, 1.750036e-07, 1.000000e+00, 23, 2387, 1)
  ((-3.744933e+00, -1.031047e+00, 2.831062e+00), (-2.916959e-01, -6.494657e-01, -7.022164e-01), 8.590591e+00, 1.876753e-07, 0.000000e+00, 23, 2387, 1)]
-neutron [((6.474155e+00, -5.192870e+00, 5.413003e+00), (-9.112559e-01, 3.950037e-01, 1.165536e-01), 2.052226e+06, 4.450859e-05, 1.000000e+00, 21, 2367, 2)
- ((6.037250e+00, -5.003484e+00, 5.468885e+00), (-9.112559e-01, 3.950037e-01, 1.165536e-01), 2.052226e+06, 4.450883e-05, 1.000000e+00, 22, 2367, 3)
- ((5.942573e+00, -4.962444e+00, 5.480995e+00), (-9.112559e-01, 3.950037e-01, 1.165536e-01), 2.052226e+06, 4.450889e-05, 1.000000e+00, 23, 2367, 1)
- ((5.861800e+00, -4.927431e+00, 5.491326e+00), (-9.518772e-01, -3.064714e-01, -2.259335e-03), 1.141417e+06, 4.450893e-05, 1.000000e+00, 23, 2367, 1)
- ((5.725160e+00, -4.971424e+00, 5.491002e+00), (-9.518772e-01, -3.064714e-01, -2.259335e-03), 1.141417e+06, 4.450903e-05, 1.000000e+00, 23, 2366, 1)
- ((5.494150e+00, -5.045802e+00, 5.490454e+00), (-9.518772e-01, -3.064714e-01, -2.259335e-03), 1.141417e+06, 4.450919e-05, 1.000000e+00, 22, 2366, 3)
- ((5.392865e+00, -5.078412e+00, 5.490213e+00), (-9.518772e-01, -3.064714e-01, -2.259335e-03), 1.141417e+06, 4.450927e-05, 1.000000e+00, 21, 2366, 2)
- ((4.612759e+00, -5.329579e+00, 5.488362e+00), (-9.518772e-01, -3.064714e-01, -2.259335e-03), 1.141417e+06, 4.450982e-05, 1.000000e+00, 22, 2366, 3)
- ((4.511474e+00, -5.362189e+00, 5.488121e+00), (-9.518772e-01, -3.064714e-01, -2.259335e-03), 1.141417e+06, 4.450989e-05, 1.000000e+00, 23, 2366, 1)
- ((4.089400e+00, -5.498082e+00, 5.487119e+00), (-9.518772e-01, -3.064714e-01, -2.259335e-03), 1.141417e+06, 4.451019e-05, 1.000000e+00, 23, 2365, 1)
- ((3.384113e+00, -5.725160e+00, 5.485445e+00), (-9.518772e-01, -3.064714e-01, -2.259335e-03), 1.141417e+06, 4.451069e-05, 1.000000e+00, 23, 2351, 1)
- ((2.453640e+00, -6.024740e+00, 5.483237e+00), (-9.518772e-01, -3.064714e-01, -2.259335e-03), 1.141417e+06, 4.451136e-05, 1.000000e+00, 23, 2350, 1)
- ((2.086813e+00, -6.142846e+00, 5.482366e+00), (-9.518772e-01, -3.064714e-01, -2.259335e-03), 1.141417e+06, 4.451162e-05, 1.000000e+00, 22, 2350, 3)
- ((1.993594e+00, -6.172859e+00, 5.482145e+00), (-9.518772e-01, -3.064714e-01, -2.259335e-03), 1.141417e+06, 4.451168e-05, 1.000000e+00, 21, 2350, 2)
- ((1.325704e+00, -6.387896e+00, 5.480560e+00), (8.986086e-01, -4.380574e-01, -2.466265e-02), 9.775839e+05, 4.451216e-05, 1.000000e+00, 21, 2350, 2)
- ((2.061403e+00, -6.746538e+00, 5.460368e+00), (-7.778764e-01, 2.051975e-01, -5.939716e-01), 7.813219e+05, 4.451276e-05, 1.000000e+00, 21, 2350, 2)
- ((1.122794e+00, -6.498940e+00, 4.743664e+00), (-7.778764e-01, 2.051975e-01, -5.939716e-01), 7.813219e+05, 4.451375e-05, 1.000000e+00, 22, 2350, 3)
- ((1.036483e+00, -6.476172e+00, 4.677758e+00), (-7.778764e-01, 2.051975e-01, -5.939716e-01), 7.813219e+05, 4.451384e-05, 1.000000e+00, 23, 2350, 1)
- ((8.178800e-01, -6.418507e+00, 4.510837e+00), (-7.778764e-01, 2.051975e-01, -5.939716e-01), 7.813219e+05, 4.451407e-05, 1.000000e+00, 23, 2349, 1)
- ((5.725264e-01, -6.353784e+00, 4.323490e+00), (-7.778764e-01, 2.051975e-01, -5.939716e-01), 7.813219e+05, 4.451432e-05, 1.000000e+00, 22, 2349, 3)
- ((4.668297e-01, -6.325902e+00, 4.242782e+00), (-7.778764e-01, 2.051975e-01, -5.939716e-01), 7.813219e+05, 4.451444e-05, 1.000000e+00, 21, 2349, 2)
- ((-2.989816e-01, -6.123888e+00, 3.658023e+00), (-7.778764e-01, 2.051975e-01, -5.939716e-01), 7.813219e+05, 4.451524e-05, 1.000000e+00, 22, 2349, 3)
- ((-4.046782e-01, -6.096006e+00, 3.577315e+00), (-7.778764e-01, 2.051975e-01, -5.939716e-01), 7.813219e+05, 4.451535e-05, 1.000000e+00, 23, 2349, 1)
- ((-8.040445e-01, -5.990656e+00, 3.272367e+00), (-7.989001e-01, -1.890553e-01, -5.709787e-01), 6.637114e+05, 4.451577e-05, 1.000000e+00, 23, 2349, 1)
- ((-8.178800e-01, -5.993930e+00, 3.262478e+00), (-7.989001e-01, -1.890553e-01, -5.709787e-01), 6.637114e+05, 4.451579e-05, 1.000000e+00, 23, 2348, 1)
- ((-1.077910e+00, -6.055465e+00, 3.076633e+00), (-4.487118e-01, 1.670254e-01, -8.779295e-01), 4.550608e+05, 4.451608e-05, 1.000000e+00, 23, 2348, 1)
- ((-1.215611e+00, -6.004208e+00, 2.807214e+00), (7.872329e-01, 4.481433e-01, -4.235941e-01), 3.544207e+03, 4.451641e-05, 1.000000e+00, 23, 2348, 1)
- ((-1.100296e+00, -5.938564e+00, 2.745166e+00), (8.468456e-01, 5.310954e-01, 2.811230e-02), 2.812308e+03, 4.451819e-05, 1.000000e+00, 23, 2348, 1)
- ((-8.178800e-01, -5.761448e+00, 2.754541e+00), (8.468456e-01, 5.310954e-01, 2.811230e-02), 2.812308e+03, 4.452273e-05, 1.000000e+00, 23, 2349, 1)
- ((-7.600184e-01, -5.725160e+00, 2.756462e+00), (8.468456e-01, 5.310954e-01, 2.811230e-02), 2.812308e+03, 4.452366e-05, 1.000000e+00, 23, 2363, 1)
- ((-2.947156e-01, -5.433347e+00, 2.771908e+00), (8.468456e-01, 5.310954e-01, 2.811230e-02), 2.812308e+03, 4.453115e-05, 1.000000e+00, 22, 2363, 3)
- ((-2.073333e-01, -5.378546e+00, 2.774809e+00), (8.468456e-01, 5.310954e-01, 2.811230e-02), 2.812308e+03, 4.453256e-05, 1.000000e+00, 21, 2363, 2)
- ((-1.746705e-01, -5.358062e+00, 2.775893e+00), (5.278774e-01, 5.459205e-01, 6.506276e-01), 2.806481e+03, 4.453309e-05, 1.000000e+00, 21, 2363, 2)
- ((-8.681718e-02, -5.267205e+00, 2.884176e+00), (-8.975500e-01, 8.968076e-04, -4.409119e-01), 2.764929e+03, 4.453536e-05, 1.000000e+00, 21, 2363, 2)
- ((-3.684221e-01, -5.266924e+00, 2.745840e+00), (-8.975500e-01, 8.968076e-04, -4.409119e-01), 2.764929e+03, 4.453967e-05, 1.000000e+00, 22, 2363, 3)
- ((-4.840903e-01, -5.266809e+00, 2.689019e+00), (-8.975500e-01, 8.968076e-04, -4.409119e-01), 2.764929e+03, 4.454144e-05, 1.000000e+00, 23, 2363, 1)
- ((-8.178800e-01, -5.266475e+00, 2.525049e+00), (-8.975500e-01, 8.968076e-04, -4.409119e-01), 2.764929e+03, 4.454656e-05, 1.000000e+00, 23, 2362, 1)
- ((-1.151175e+00, -5.266142e+00, 2.361321e+00), (-8.975500e-01, 8.968076e-04, -4.409119e-01), 2.764929e+03, 4.455166e-05, 1.000000e+00, 22, 2362, 3)
- ((-1.266464e+00, -5.266027e+00, 2.304687e+00), (-8.975500e-01, 8.968076e-04, -4.409119e-01), 2.764929e+03, 4.455343e-05, 1.000000e+00, 21, 2362, 2)
- ((-2.005772e+00, -5.265288e+00, 1.941509e+00), (-8.975500e-01, 8.968076e-04, -4.409119e-01), 2.764929e+03, 4.456475e-05, 1.000000e+00, 22, 2362, 3)
- ((-2.121061e+00, -5.265173e+00, 1.884875e+00), (-8.975500e-01, 8.968076e-04, -4.409119e-01), 2.764929e+03, 4.456652e-05, 1.000000e+00, 23, 2362, 1)
- ((-2.393759e+00, -5.264900e+00, 1.750915e+00), (-9.607392e-01, -1.749373e-01, 2.153533e-01), 1.619469e+03, 4.457070e-05, 1.000000e+00, 23, 2362, 1)
- ((-2.453640e+00, -5.275804e+00, 1.764337e+00), (-9.607392e-01, -1.749373e-01, 2.153533e-01), 1.619469e+03, 4.457182e-05, 1.000000e+00, 23, 2361, 1)
- ((-2.470658e+00, -5.278903e+00, 1.768152e+00), (-6.728606e-01, -2.916408e-01, -6.798561e-01), 4.873672e+02, 4.457214e-05, 1.000000e+00, 23, 2361, 1)
- ((-3.463692e+00, -5.709318e+00, 7.647939e-01), (-2.249302e-01, -9.330150e-01, -2.808728e-01), 1.790901e+02, 4.462047e-05, 1.000000e+00, 23, 2361, 1)
- ((-3.467511e+00, -5.725160e+00, 7.600247e-01), (-2.249302e-01, -9.330150e-01, -2.808728e-01), 1.790901e+02, 4.462139e-05, 1.000000e+00, 23, 2347, 1)
- ((-3.533785e+00, -6.000066e+00, 6.772677e-01), (-2.249302e-01, -9.330150e-01, -2.808728e-01), 1.790901e+02, 4.463730e-05, 1.000000e+00, 22, 2347, 3)
- ((-3.562245e+00, -6.118119e+00, 6.417291e-01), (-2.249302e-01, -9.330150e-01, -2.808728e-01), 1.790901e+02, 4.464414e-05, 1.000000e+00, 21, 2347, 2)
- ((-3.723934e+00, -6.788806e+00, 4.398272e-01), (-2.249302e-01, -9.330150e-01, -2.808728e-01), 1.790901e+02, 4.468297e-05, 1.000000e+00, 22, 2347, 3)
- ((-3.752394e+00, -6.906859e+00, 4.042885e-01), (-2.249302e-01, -9.330150e-01, -2.808728e-01), 1.790901e+02, 4.468981e-05, 1.000000e+00, 23, 2347, 1)
- ((-3.848515e+00, -7.305571e+00, 2.842613e-01), (6.498448e-01, -3.243413e-01, -6.873896e-01), 2.328979e+01, 4.471290e-05, 1.000000e+00, 23, 2347, 1)
- ((-3.737619e+00, -7.360920e+00, 1.669579e-01), (6.498448e-01, -3.243413e-01, -6.873896e-01), 2.328979e+01, 4.473846e-05, 1.000000e+00, 11, 1750, 1)
- ((-3.574308e+00, -7.442429e+00, -5.788041e-03), (6.794505e-01, 3.157106e-01, -6.623246e-01), 1.590416e+01, 4.477611e-05, 1.000000e+00, 11, 1750, 1)
- ((-3.398889e+00, -7.360920e+00, -1.767852e-01), (6.794505e-01, 3.157106e-01, -6.623246e-01), 1.590416e+01, 4.482292e-05, 1.000000e+00, 23, 2347, 1)
- ((-2.904712e+00, -7.131298e+00, -6.585068e-01), (-4.836985e-02, -2.819627e-01, -9.582053e-01), 2.610202e+00, 4.495477e-05, 1.000000e+00, 23, 2347, 1)
- ((-2.923579e+00, -7.241285e+00, -1.032280e+00), (-6.089807e-01, -2.347428e-01, -7.576532e-01), 1.671268e+00, 4.512933e-05, 1.000000e+00, 23, 2347, 1)
- ((-3.012516e+00, -7.275567e+00, -1.142930e+00), (3.221931e-01, -5.406104e-01, -7.771306e-01), 1.275709e-01, 4.521100e-05, 1.000000e+00, 23, 2347, 1)
- ((-2.984032e+00, -7.323360e+00, -1.211633e+00), (-8.629564e-01, -1.719529e-01, -4.751195e-01), 1.897424e-02, 4.538995e-05, 1.000000e+00, 23, 2347, 1)
- ((-3.172528e+00, -7.360920e+00, -1.315413e+00), (-8.629564e-01, -1.719529e-01, -4.751195e-01), 1.897424e-02, 4.653641e-05, 1.000000e+00, 11, 1750, 1)
- ((-3.602328e+00, -7.446562e+00, -1.552049e+00), (-1.530190e-01, -7.092235e-01, 6.881767e-01), 1.306951e-02, 4.915052e-05, 1.000000e+00, 11, 1750, 1)
- ((-3.625236e+00, -7.552741e+00, -1.449021e+00), (-1.976867e-01, 2.826475e-01, 9.386322e-01), 2.145548e-02, 5.009730e-05, 1.000000e+00, 11, 1750, 1)
- ((-3.636290e+00, -7.536936e+00, -1.396537e+00), (1.266676e-01, 2.265353e-01, -9.657314e-01), 1.815564e-02, 5.037329e-05, 1.000000e+00, 11, 1750, 1)
- ((-3.621792e+00, -7.511008e+00, -1.507069e+00), (-4.275550e-01, 8.441443e-01, 3.234457e-01), 1.848049e-02, 5.098741e-05, 1.000000e+00, 11, 1750, 1)
- ((-3.697811e+00, -7.360920e+00, -1.449560e+00), (-4.275550e-01, 8.441443e-01, 3.234457e-01), 1.848049e-02, 5.193300e-05, 1.000000e+00, 23, 2347, 1)
- ((-3.703436e+00, -7.349814e+00, -1.445305e+00), (-7.832167e-01, 5.713670e-01, 2.451762e-01), 1.861705e-02, 5.200297e-05, 1.000000e+00, 23, 2347, 1)
- ((-3.823243e+00, -7.262414e+00, -1.407801e+00), (-9.917106e-01, 5.069164e-02, 1.180695e-01), 4.703334e-02, 5.281350e-05, 1.000000e+00, 23, 2347, 1)
- ((-4.089400e+00, -7.248809e+00, -1.376113e+00), (-9.917106e-01, 5.069164e-02, 1.180695e-01), 4.703334e-02, 5.370820e-05, 1.000000e+00, 23, 2346, 1)
- ((-4.131081e+00, -7.246679e+00, -1.371151e+00), (9.108632e-01, -4.018526e-01, 9.403556e-02), 8.057393e-02, 5.384831e-05, 1.000000e+00, 23, 2346, 1)
- ((-4.089400e+00, -7.265067e+00, -1.366848e+00), (9.108632e-01, -4.018526e-01, 9.403556e-02), 8.057393e-02, 5.396486e-05, 1.000000e+00, 23, 2347, 1)
- ((-3.872134e+00, -7.360920e+00, -1.344418e+00), (9.108632e-01, -4.018526e-01, 9.403556e-02), 8.057393e-02, 5.457240e-05, 1.000000e+00, 11, 1750, 1)
- ((-3.673062e+00, -7.448746e+00, -1.323866e+00), (2.976906e-01, 8.174443e-01, -4.931178e-01), 5.538060e-02, 5.512905e-05, 1.000000e+00, 11, 1750, 1)
- ((-3.658580e+00, -7.408978e+00, -1.347855e+00), (-5.409120e-01, 8.345378e-01, -1.046943e-01), 8.122576e-02, 5.527851e-05, 1.000000e+00, 11, 1750, 1)
- ((-3.682981e+00, -7.371331e+00, -1.352578e+00), (-5.409120e-01, 8.345378e-01, -1.046943e-01), 8.122576e-02, 5.539295e-05, 0.000000e+00, 11, 1750, 1)]
+neutron [((6.474155e+00, -5.192870e+00, 5.413003e+00), (-9.597810e-01, -1.081529e-01, -2.590820e-01), 9.900333e+05, 4.450859e-05, 1.000000e+00, 21, 2367, 2)
+ ((6.142109e+00, -5.230286e+00, 5.323371e+00), (-9.597810e-01, -1.081529e-01, -2.590820e-01), 9.900333e+05, 4.450884e-05, 1.000000e+00, 22, 2367, 3)
+ ((6.041244e+00, -5.241652e+00, 5.296144e+00), (-9.597810e-01, -1.081529e-01, -2.590820e-01), 9.900333e+05, 4.450892e-05, 1.000000e+00, 23, 2367, 1)
+ ((6.004037e+00, -5.245845e+00, 5.286100e+00), (-6.195407e-01, -7.332723e-01, -2.801446e-01), 5.512347e+05, 4.450895e-05, 1.000000e+00, 23, 2367, 1)
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+ ((5.599064e+00, -5.725160e+00, 5.102979e+00), (-6.195407e-01, -7.332723e-01, -2.801446e-01), 5.512347e+05, 4.450958e-05, 1.000000e+00, 23, 2352, 1)
+ ((5.296886e+00, -6.082810e+00, 4.966340e+00), (-6.195407e-01, -7.332723e-01, -2.801446e-01), 5.512347e+05, 4.451006e-05, 1.000000e+00, 22, 2352, 3)
+ ((5.240003e+00, -6.150135e+00, 4.940619e+00), (-6.195407e-01, -7.332723e-01, -2.801446e-01), 5.512347e+05, 4.451015e-05, 1.000000e+00, 21, 2352, 2)
+ ((4.752072e+00, -6.727638e+00, 4.719986e+00), (3.721510e-02, -9.647240e-01, 2.606197e-01), 5.045933e+05, 4.451092e-05, 1.000000e+00, 21, 2352, 2)
+ ((4.764028e+00, -7.037568e+00, 4.803713e+00), (3.721510e-02, -9.647240e-01, 2.606197e-01), 5.045933e+05, 4.451124e-05, 1.000000e+00, 22, 2352, 3)
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+ ((4.776502e+00, -7.360920e+00, 4.891066e+00), (3.721510e-02, -9.647240e-01, 2.606197e-01), 5.045933e+05, 4.451158e-05, 1.000000e+00, 23, 2338, 1)
+ ((4.778286e+00, -7.407162e+00, 4.903559e+00), (4.571054e-01, -3.889563e-01, 7.998548e-01), 1.818775e+05, 4.451163e-05, 1.000000e+00, 23, 2338, 1)
+ ((4.981926e+00, -7.580442e+00, 5.259893e+00), (4.571054e-01, -3.889563e-01, 7.998548e-01), 1.818775e+05, 4.451239e-05, 1.000000e+00, 22, 2338, 3)
+ ((5.154144e+00, -7.726985e+00, 5.561246e+00), (4.571054e-01, -3.889563e-01, 7.998548e-01), 1.818775e+05, 4.451303e-05, 1.000000e+00, 21, 2338, 2)
+ ((5.313757e+00, -7.862801e+00, 5.840540e+00), (4.571054e-01, -3.889563e-01, 7.998548e-01), 1.818775e+05, 4.451362e-05, 1.000000e+00, 22, 2338, 3)
+ ((5.485976e+00, -8.009344e+00, 6.141893e+00), (4.571054e-01, -3.889563e-01, 7.998548e-01), 1.818775e+05, 4.451426e-05, 1.000000e+00, 23, 2338, 1)
+ ((5.725160e+00, -8.212869e+00, 6.560424e+00), (4.571054e-01, -3.889563e-01, 7.998548e-01), 1.818775e+05, 4.451515e-05, 1.000000e+00, 23, 2339, 1)
+ ((6.004950e+00, -8.450945e+00, 7.050007e+00), (4.571054e-01, -3.889563e-01, 7.998548e-01), 1.818775e+05, 4.451618e-05, 1.000000e+00, 22, 2339, 3)
+ ((6.360530e+00, -8.753512e+00, 7.672210e+00), (4.571054e-01, -3.889563e-01, 7.998548e-01), 1.818775e+05, 4.451750e-05, 1.000000e+00, 23, 2339, 1)
+ ((6.646303e+00, -8.996680e+00, 8.172263e+00), (4.571054e-01, -3.889563e-01, 7.998548e-01), 1.818775e+05, 4.451856e-05, 1.000000e+00, 23, 2326, 1)
+ ((6.702490e+00, -9.044491e+00, 8.270582e+00), (2.028534e-01, -9.607965e-01, -1.889990e-01), 1.805295e+04, 4.451877e-05, 1.000000e+00, 23, 2326, 1)
+ ((6.745127e+00, -9.246436e+00, 8.230857e+00), (2.028534e-01, -9.607965e-01, -1.889990e-01), 1.805295e+04, 4.451990e-05, 1.000000e+00, 22, 2326, 3)
+ ((6.767219e+00, -9.351070e+00, 8.210274e+00), (2.028534e-01, -9.607965e-01, -1.889990e-01), 1.805295e+04, 4.452049e-05, 1.000000e+00, 21, 2326, 2)
+ ((6.885344e+00, -9.910562e+00, 8.100216e+00), (-3.857824e-01, -3.006310e-01, -8.722344e-01), 1.795765e+04, 4.452362e-05, 1.000000e+00, 21, 2326, 2)
+ ((6.803615e+00, -9.974251e+00, 7.915431e+00), (-7.096135e-01, 6.778415e-01, 1.923009e-01), 1.779137e+04, 4.452476e-05, 1.000000e+00, 21, 2326, 2)
+ ((6.334815e+00, -9.526441e+00, 8.042473e+00), (-1.748210e-01, 9.821705e-01, -6.912779e-02), 1.729669e+04, 4.452835e-05, 1.000000e+00, 21, 2326, 2)
+ ((6.304853e+00, -9.358111e+00, 8.030625e+00), (-1.748210e-01, 9.821705e-01, -6.912779e-02), 1.729669e+04, 4.452929e-05, 1.000000e+00, 22, 2326, 3)
+ ((6.288777e+00, -9.267793e+00, 8.024268e+00), (-1.748210e-01, 9.821705e-01, -6.912779e-02), 1.729669e+04, 4.452979e-05, 1.000000e+00, 23, 2326, 1)
+ ((6.275105e+00, -9.190979e+00, 8.018862e+00), (-7.174952e-01, 5.897531e-01, -3.706642e-01), 9.207900e+03, 4.453022e-05, 1.000000e+00, 23, 2326, 1)
+ ((6.038719e+00, -8.996680e+00, 7.896743e+00), (-7.174952e-01, 5.897531e-01, -3.706642e-01), 9.207900e+03, 4.453271e-05, 1.000000e+00, 23, 2339, 1)
+ ((6.028805e+00, -8.988531e+00, 7.891621e+00), (-2.989803e-01, 4.300779e-01, -8.518473e-01), 5.653774e+03, 4.453281e-05, 1.000000e+00, 23, 2339, 1)
+ ((5.725160e+00, -8.551743e+00, 7.026484e+00), (-2.989803e-01, 4.300779e-01, -8.518473e-01), 5.653774e+03, 4.454257e-05, 1.000000e+00, 23, 2338, 1)
+ ((5.507324e+00, -8.238390e+00, 6.405832e+00), (-2.989803e-01, 4.300779e-01, -8.518473e-01), 5.653774e+03, 4.454958e-05, 1.000000e+00, 22, 2338, 3)
+ ((5.417387e+00, -8.109017e+00, 6.149584e+00), (-2.989803e-01, 4.300779e-01, -8.518473e-01), 5.653774e+03, 4.455247e-05, 1.000000e+00, 21, 2338, 2)
+ ((5.162017e+00, -7.741671e+00, 5.421991e+00), (7.522612e-01, -1.036919e-01, -6.506543e-01), 5.619608e+03, 4.456069e-05, 1.000000e+00, 21, 2338, 2)
+ ((5.184146e+00, -7.744722e+00, 5.402851e+00), (7.522612e-01, -1.036919e-01, -6.506543e-01), 5.619608e+03, 4.456097e-05, 1.000000e+00, 22, 2338, 3)
+ ((5.348057e+00, -7.767315e+00, 5.261079e+00), (7.522612e-01, -1.036919e-01, -6.506543e-01), 5.619608e+03, 4.456307e-05, 1.000000e+00, 23, 2338, 1)
+ ((5.581568e+00, -7.799502e+00, 5.059108e+00), (2.029690e-01, -4.131185e-01, -8.877706e-01), 3.359662e+03, 4.456606e-05, 1.000000e+00, 23, 2338, 1)
+ ((5.707007e+00, -8.054818e+00, 4.510447e+00), (3.894183e-01, -7.459178e-01, -5.403333e-01), 3.303714e+03, 4.457377e-05, 1.000000e+00, 23, 2338, 1)
+ ((5.725160e+00, -8.089590e+00, 4.485259e+00), (3.894183e-01, -7.459178e-01, -5.403333e-01), 3.303714e+03, 4.457436e-05, 1.000000e+00, 23, 2339, 1)
+ ((5.750893e+00, -8.138881e+00, 4.449554e+00), (-2.879829e-01, -5.545287e-01, -7.807456e-01), 1.744626e+03, 4.457519e-05, 1.000000e+00, 23, 2339, 1)
+ ((5.725160e+00, -8.188431e+00, 4.379790e+00), (-2.879829e-01, -5.545287e-01, -7.807456e-01), 1.744626e+03, 4.457674e-05, 1.000000e+00, 23, 2338, 1)
+ ((5.532143e+00, -8.560097e+00, 3.856504e+00), (-6.185172e-01, -7.766669e-01, -1.192687e-01), 8.559363e+02, 4.458834e-05, 1.000000e+00, 23, 2338, 1)
+ ((5.522333e+00, -8.572415e+00, 3.854613e+00), (-3.452053e-01, -2.657159e-02, -9.381510e-01), 9.272133e+01, 4.458873e-05, 1.000000e+00, 23, 2338, 1)
+ ((5.366948e+00, -8.584375e+00, 3.432328e+00), (4.761677e-01, -8.187551e-01, -3.207871e-01), 6.522002e+00, 4.462253e-05, 1.000000e+00, 23, 2338, 1)
+ ((5.516634e+00, -8.841755e+00, 3.331487e+00), (4.237115e-01, -6.022578e-01, 6.765752e-01), 9.968491e-01, 4.471152e-05, 1.000000e+00, 23, 2338, 1)
+ ((5.625629e+00, -8.996680e+00, 3.505530e+00), (4.237115e-01, -6.022578e-01, 6.765752e-01), 9.968491e-01, 4.489779e-05, 1.000000e+00, 23, 2325, 1)
+ ((5.723424e+00, -9.135684e+00, 3.661687e+00), (7.706137e-01, -6.358415e-01, 4.312932e-02), 5.695813e-01, 4.506493e-05, 1.000000e+00, 23, 2325, 1)
+ ((5.725160e+00, -9.137116e+00, 3.661784e+00), (7.706137e-01, -6.358415e-01, 4.312932e-02), 5.695813e-01, 4.506708e-05, 1.000000e+00, 23, 2326, 1)
+ ((6.079210e+00, -9.429247e+00, 3.681599e+00), (7.706137e-01, -6.358415e-01, 4.312932e-02), 5.695813e-01, 4.550721e-05, 1.000000e+00, 22, 2326, 3)
+ ((6.147194e+00, -9.485341e+00, 3.685404e+00), (7.706137e-01, -6.358415e-01, 4.312932e-02), 5.695813e-01, 4.559172e-05, 1.000000e+00, 21, 2326, 2)
+ ((6.864744e+00, -1.007740e+01, 3.725564e+00), (3.888690e-01, -8.895503e-01, -2.397522e-01), 5.691123e-01, 4.648372e-05, 1.000000e+00, 21, 2326, 2)
+ ((6.908415e+00, -1.017730e+01, 3.698639e+00), (3.888690e-01, -8.895503e-01, -2.397522e-01), 5.691123e-01, 4.659135e-05, 1.000000e+00, 22, 2326, 3)
+ ((6.945959e+00, -1.026318e+01, 3.675492e+00), (3.888690e-01, -8.895503e-01, -2.397522e-01), 5.691123e-01, 4.668388e-05, 1.000000e+00, 23, 2326, 1)
+ ((6.966122e+00, -1.030930e+01, 3.663060e+00), (7.493672e-01, -6.303754e-01, 2.026713e-01), 2.849108e-01, 4.673357e-05, 1.000000e+00, 23, 2326, 1)
+ ((7.350254e+00, -1.063244e+01, 3.766951e+00), (7.493672e-01, -6.303754e-01, 2.026713e-01), 2.849108e-01, 4.742789e-05, 1.000000e+00, 23, 2311, 1)
+ ((7.360920e+00, -1.064141e+01, 3.769836e+00), (7.493672e-01, -6.303754e-01, 2.026713e-01), 2.849108e-01, 4.744717e-05, 1.000000e+00, 23, 2312, 1)
+ ((7.449168e+00, -1.071565e+01, 3.793703e+00), (1.626881e-01, -1.480918e-01, 9.755006e-01), 2.025207e-01, 4.760667e-05, 1.000000e+00, 23, 2312, 1)
+ ((7.495754e+00, -1.075805e+01, 4.073039e+00), (-1.185723e-01, -6.787603e-01, 7.247241e-01), 2.121260e-01, 4.806671e-05, 1.000000e+00, 23, 2312, 1)
+ ((7.451135e+00, -1.101347e+01, 4.345753e+00), (-4.978877e-01, -3.750598e-02, 8.664301e-01), 2.609768e-02, 4.865741e-05, 1.000000e+00, 23, 2312, 1)
+ ((7.426401e+00, -1.101533e+01, 4.388795e+00), (9.221835e-01, -6.407530e-02, 3.814078e-01), 2.031765e-02, 4.887973e-05, 1.000000e+00, 23, 2312, 1)
+ ((7.438938e+00, -1.101621e+01, 4.393980e+00), (8.832139e-01, 3.563144e-01, 3.049151e-01), 2.038019e-02, 4.894869e-05, 1.000000e+00, 23, 2312, 1)
+ ((7.578355e+00, -1.095996e+01, 4.442112e+00), (5.564936e-01, 8.135970e-01, 1.684482e-01), 4.869241e-02, 4.974811e-05, 1.000000e+00, 23, 2312, 1)
+ ((7.802376e+00, -1.063244e+01, 4.509922e+00), (5.564936e-01, 8.135970e-01, 1.684482e-01), 4.869241e-02, 5.106705e-05, 1.000000e+00, 23, 2327, 1)
+ ((7.826035e+00, -1.059785e+01, 4.517083e+00), (-8.227572e-01, -5.662268e-01, 4.957651e-02), 8.202195e-02, 5.120634e-05, 1.000000e+00, 23, 2327, 1)
+ ((7.775776e+00, -1.063244e+01, 4.520112e+00), (-8.227572e-01, -5.662268e-01, 4.957651e-02), 8.202195e-02, 5.136055e-05, 1.000000e+00, 23, 2312, 1)
+ ((7.360920e+00, -1.091795e+01, 4.545109e+00), (-8.227572e-01, -5.662268e-01, 4.957651e-02), 8.202195e-02, 5.263343e-05, 1.000000e+00, 23, 2311, 1)
+ ((7.180267e+00, -1.104227e+01, 4.555995e+00), (5.568446e-01, -6.706436e-01, -4.900625e-01), 5.560680e-02, 5.318772e-05, 1.000000e+00, 23, 2311, 1)
+ ((7.207392e+00, -1.107494e+01, 4.532123e+00), (9.936512e-01, 4.529367e-02, -1.029847e-01), 8.142074e-02, 5.333706e-05, 1.000000e+00, 23, 2311, 1)
+ ((7.252245e+00, -1.107290e+01, 4.527474e+00), (9.936512e-01, 4.529367e-02, -1.029847e-01), 8.142074e-02, 5.345144e-05, 0.000000e+00, 23, 2311, 1)]
diff --git a/tests/regression_tests/translation/results_true.dat b/tests/regression_tests/translation/results_true.dat
index f832aa296..6e03d2224 100644
--- a/tests/regression_tests/translation/results_true.dat
+++ b/tests/regression_tests/translation/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-4.087580E-01 4.466279E-03
+4.076610E-01 6.454244E-03
diff --git a/tests/regression_tests/trigger_batch_interval/results_true.dat b/tests/regression_tests/trigger_batch_interval/results_true.dat
index 0571d6c4f..92fa99d87 100644
--- a/tests/regression_tests/trigger_batch_interval/results_true.dat
+++ b/tests/regression_tests/trigger_batch_interval/results_true.dat
@@ -1,28 +1,28 @@
 k-combined:
-9.767929E-01 5.327552E-03
+9.863217E-01 6.499354E-03
 tally 1:
-1.405471E+01
-1.976444E+01
-3.186139E+00
-1.015515E+00
-3.088643E+00
-9.542994E-01
-1.086857E+01
-1.182011E+01
-1.405471E+01
-1.976444E+01
-3.186139E+00
-1.015515E+00
-3.088643E+00
-9.542994E-01
-1.086857E+01
-1.182011E+01
+1.423436E+01
+2.027258E+01
+3.223740E+00
+1.039872E+00
+3.125016E+00
+9.771709E-01
+1.101062E+01
+1.212977E+01
+1.423436E+01
+2.027258E+01
+3.223740E+00
+1.039872E+00
+3.125016E+00
+9.771709E-01
+1.101062E+01
+1.212977E+01
 tally 2:
-1.405471E+01
-1.976444E+01
-3.186139E+00
-1.015515E+00
-3.088643E+00
-9.542994E-01
-1.086857E+01
-1.182011E+01
+1.423436E+01
+2.027258E+01
+3.223740E+00
+1.039872E+00
+3.125016E+00
+9.771709E-01
+1.101062E+01
+1.212977E+01
diff --git a/tests/regression_tests/trigger_no_batch_interval/results_true.dat b/tests/regression_tests/trigger_no_batch_interval/results_true.dat
index 0571d6c4f..92fa99d87 100644
--- a/tests/regression_tests/trigger_no_batch_interval/results_true.dat
+++ b/tests/regression_tests/trigger_no_batch_interval/results_true.dat
@@ -1,28 +1,28 @@
 k-combined:
-9.767929E-01 5.327552E-03
+9.863217E-01 6.499354E-03
 tally 1:
-1.405471E+01
-1.976444E+01
-3.186139E+00
-1.015515E+00
-3.088643E+00
-9.542994E-01
-1.086857E+01
-1.182011E+01
-1.405471E+01
-1.976444E+01
-3.186139E+00
-1.015515E+00
-3.088643E+00
-9.542994E-01
-1.086857E+01
-1.182011E+01
+1.423436E+01
+2.027258E+01
+3.223740E+00
+1.039872E+00
+3.125016E+00
+9.771709E-01
+1.101062E+01
+1.212977E+01
+1.423436E+01
+2.027258E+01
+3.223740E+00
+1.039872E+00
+3.125016E+00
+9.771709E-01
+1.101062E+01
+1.212977E+01
 tally 2:
-1.405471E+01
-1.976444E+01
-3.186139E+00
-1.015515E+00
-3.088643E+00
-9.542994E-01
-1.086857E+01
-1.182011E+01
+1.423436E+01
+2.027258E+01
+3.223740E+00
+1.039872E+00
+3.125016E+00
+9.771709E-01
+1.101062E+01
+1.212977E+01
diff --git a/tests/regression_tests/trigger_no_status/results_true.dat b/tests/regression_tests/trigger_no_status/results_true.dat
index fb6c0086a..a62e1b3fe 100644
--- a/tests/regression_tests/trigger_no_status/results_true.dat
+++ b/tests/regression_tests/trigger_no_status/results_true.dat
@@ -1,28 +1,28 @@
 k-combined:
-9.682315E-01 3.302924E-03
+9.858966E-01 1.500542E-02
 tally 1:
-7.046510E+00
-9.932168E+00
-1.591675E+00
-5.067777E-01
-1.541572E+00
-4.753743E-01
-5.454835E+00
-5.951990E+00
-7.046510E+00
-9.932168E+00
-1.591675E+00
-5.067777E-01
-1.541572E+00
-4.753743E-01
-5.454835E+00
-5.951990E+00
+7.081828E+00
+1.003709E+01
+1.607382E+00
+5.171386E-01
+1.559242E+00
+4.866413E-01
+5.474447E+00
+5.997737E+00
+7.081828E+00
+1.003709E+01
+1.607382E+00
+5.171386E-01
+1.559242E+00
+4.866413E-01
+5.474447E+00
+5.997737E+00
 tally 2:
-7.046510E+00
-9.932168E+00
-1.591675E+00
-5.067777E-01
-1.541572E+00
-4.753743E-01
-5.454835E+00
-5.951990E+00
+7.081828E+00
+1.003709E+01
+1.607382E+00
+5.171386E-01
+1.559242E+00
+4.866413E-01
+5.474447E+00
+5.997737E+00
diff --git a/tests/regression_tests/trigger_statepoint_restart/inputs_true.dat b/tests/regression_tests/trigger_statepoint_restart/inputs_true.dat
index 01755ad8b..59a829700 100644
--- a/tests/regression_tests/trigger_statepoint_restart/inputs_true.dat
+++ b/tests/regression_tests/trigger_statepoint_restart/inputs_true.dat
@@ -16,7 +16,7 @@
     <batches>15</batches>
     <inactive>10</inactive>
     <keff_trigger>
-      <threshold>0.003</threshold>
+      <threshold>0.002</threshold>
       <type>std_dev</type>
     </keff_trigger>
     <trigger>
diff --git a/tests/regression_tests/trigger_statepoint_restart/results_true.dat b/tests/regression_tests/trigger_statepoint_restart/results_true.dat
index 3e6619d74..3cb1e230d 100644
--- a/tests/regression_tests/trigger_statepoint_restart/results_true.dat
+++ b/tests/regression_tests/trigger_statepoint_restart/results_true.dat
@@ -1,5 +1,5 @@
 k-combined:
-3.014717E-01 2.864764E-03
+2.948661E-01 1.949846E-03
 tally 1:
-8.946107E+01
-7.281263E+02
+5.515170E+01
+4.349007E+02
diff --git a/tests/regression_tests/trigger_statepoint_restart/test.py b/tests/regression_tests/trigger_statepoint_restart/test.py
index 8144c1d0b..b242f7f1c 100644
--- a/tests/regression_tests/trigger_statepoint_restart/test.py
+++ b/tests/regression_tests/trigger_statepoint_restart/test.py
@@ -29,7 +29,7 @@ def model():
     settings.inactive = 10
     settings.particles = 400
     # Choose a sufficiently low threshold to enable use of trigger
-    settings.keff_trigger = {'type': 'std_dev', 'threshold': 0.003}
+    settings.keff_trigger = {'type': 'std_dev', 'threshold': 0.002}
     settings.trigger_max_batches = 1000
     settings.trigger_batch_interval = 1
     settings.trigger_active = True
@@ -41,10 +41,10 @@ def model():
     tallies = openmc.Tallies([t])
 
     # Put it all together
-    model = openmc.model.Model(materials=materials,
-                               geometry=geometry,
-                               settings=settings,
-                               tallies=tallies)
+    model = openmc.Model(materials=materials,
+                         geometry=geometry,
+                         settings=settings,
+                         tallies=tallies)
     return model
 
 
diff --git a/tests/regression_tests/trigger_tallies/results_true.dat b/tests/regression_tests/trigger_tallies/results_true.dat
index 0571d6c4f..92fa99d87 100644
--- a/tests/regression_tests/trigger_tallies/results_true.dat
+++ b/tests/regression_tests/trigger_tallies/results_true.dat
@@ -1,28 +1,28 @@
 k-combined:
-9.767929E-01 5.327552E-03
+9.863217E-01 6.499354E-03
 tally 1:
-1.405471E+01
-1.976444E+01
-3.186139E+00
-1.015515E+00
-3.088643E+00
-9.542994E-01
-1.086857E+01
-1.182011E+01
-1.405471E+01
-1.976444E+01
-3.186139E+00
-1.015515E+00
-3.088643E+00
-9.542994E-01
-1.086857E+01
-1.182011E+01
+1.423436E+01
+2.027258E+01
+3.223740E+00
+1.039872E+00
+3.125016E+00
+9.771709E-01
+1.101062E+01
+1.212977E+01
+1.423436E+01
+2.027258E+01
+3.223740E+00
+1.039872E+00
+3.125016E+00
+9.771709E-01
+1.101062E+01
+1.212977E+01
 tally 2:
-1.405471E+01
-1.976444E+01
-3.186139E+00
-1.015515E+00
-3.088643E+00
-9.542994E-01
-1.086857E+01
-1.182011E+01
+1.423436E+01
+2.027258E+01
+3.223740E+00
+1.039872E+00
+3.125016E+00
+9.771709E-01
+1.101062E+01
+1.212977E+01
diff --git a/tests/regression_tests/triso/results_true.dat b/tests/regression_tests/triso/results_true.dat
index fa1842e54..d9850e410 100644
--- a/tests/regression_tests/triso/results_true.dat
+++ b/tests/regression_tests/triso/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-1.716873E+00 5.266107E-02
+1.604832E+00 2.031393E-03
diff --git a/tests/regression_tests/uniform_fs/results_true.dat b/tests/regression_tests/uniform_fs/results_true.dat
index 46654b49b..f7ceecfb7 100644
--- a/tests/regression_tests/uniform_fs/results_true.dat
+++ b/tests/regression_tests/uniform_fs/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-3.685309E-01 1.861720E-03
+3.675645E-01 4.342970E-03
diff --git a/tests/regression_tests/universe/results_true.dat b/tests/regression_tests/universe/results_true.dat
index bbf03de94..97b997ae6 100644
--- a/tests/regression_tests/universe/results_true.dat
+++ b/tests/regression_tests/universe/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-3.070134E-01 3.900396E-03
+2.940336E-01 7.338463E-04
diff --git a/tests/regression_tests/white_plane/results_true.dat b/tests/regression_tests/white_plane/results_true.dat
index 6f1d064eb..ffb19491d 100644
--- a/tests/regression_tests/white_plane/results_true.dat
+++ b/tests/regression_tests/white_plane/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-2.279719E+00 5.380792E-03
+2.274312E+00 4.223342E-03
diff --git a/tests/unit_tests/test_deplete_resultslist.py b/tests/unit_tests/test_deplete_resultslist.py
index 308eccf7b..9a4699a4f 100644
--- a/tests/unit_tests/test_deplete_resultslist.py
+++ b/tests/unit_tests/test_deplete_resultslist.py
@@ -21,14 +21,14 @@ def test_get_activity(res):
 
     t_ref = np.array([0.0, 1296000.0, 2592000.0, 3888000.0])
     a_ref = np.array(
-        [1.25167956e+06, 3.71938527e+11, 4.43264300e+11, 3.55547176e+11])
+        [1.25167956e+06, 3.69842310e+11, 3.70099291e+11, 3.53629755e+11])
 
     np.testing.assert_allclose(t, t_ref)
     np.testing.assert_allclose(a, a_ref)
 
     # Check by_nuclide
     a_xe135_ref = np.array(
-        [2.106574218e+05, 1.227519888e+11, 1.177491828e+11, 1.031986176e+11])
+        [2.10657422e+05, 1.12825236e+11, 1.09055177e+11, 1.07491257e+11])
     t_nuc, a_nuc = res.get_activity("1", by_nuclide=True)
 
     a_xe135 = np.array([a_nuc_i["Xe135"] for a_nuc_i in a_nuc])
@@ -43,7 +43,7 @@ def test_get_atoms(res):
 
     t_ref = np.array([0.0, 1296000.0, 2592000.0, 3888000.0])
     n_ref = np.array(
-        [6.67473282e+08, 3.88942731e+14, 3.73091215e+14, 3.26987387e+14])
+        [6.67473282e+08, 3.57489567e+14, 3.45544042e+14, 3.40588723e+14])
 
     np.testing.assert_allclose(t, t_ref)
     np.testing.assert_allclose(n, n_ref)
@@ -71,7 +71,7 @@ def test_get_decay_heat(res):
 
     t_ref = np.array([0.0, 1296000.0, 2592000.0, 3888000.0])
     dh_ref = np.array(
-        [1.27933813e-09, 5.85347232e-03, 7.38773010e-03, 5.79954067e-03])
+        [1.27933813e-09, 5.95370258e-03, 6.01335600e-03, 5.69831173e-03])
 
     t, dh = res.get_decay_heat("1")
 
@@ -80,7 +80,7 @@ def test_get_decay_heat(res):
 
     # Check by nuclide
     dh_xe135_ref = np.array(
-        [1.27933813e-09, 7.45481920e-04, 7.15099509e-04, 6.26732849e-04])
+        [1.27933813e-09, 6.85196014e-04, 6.62300168e-04, 6.52802366e-04])
     t_nuc, dh_nuc = res.get_decay_heat("1", by_nuclide=True)
 
     dh_nuc_xe135 = np.array([dh_nuc_i["Xe135"] for dh_nuc_i in dh_nuc])
@@ -95,7 +95,7 @@ def test_get_mass(res):
 
     t_ref = np.array([0.0, 1296000.0, 2592000.0, 3888000.0])
     n_ref = np.array(
-        [6.67473282e+08, 3.88942731e+14, 3.73091215e+14, 3.26987387e+14])
+        [6.67473282e+08, 3.57489567e+14, 3.45544042e+14, 3.40588723e+14])
 
     # Get g
     n_ref *= openmc.data.atomic_mass('Xe135') / openmc.data.AVOGADRO
@@ -123,8 +123,8 @@ def test_get_reaction_rate(res):
     t, r = res.get_reaction_rate("1", "Xe135", "(n,gamma)")
 
     t_ref = [0.0, 1296000.0, 2592000.0, 3888000.0]
-    n_ref = [6.67473282e+08, 3.88942731e+14, 3.73091215e+14, 3.26987387e+14]
-    xs_ref = [2.53336104e-05, 4.21747011e-05, 3.48616127e-05, 3.61775563e-05]
+    n_ref = [6.67473282e+08, 3.57489567e+14, 3.45544042e+14, 3.40588723e+14]
+    xs_ref = [3.10220818e-05, 3.36754072e-05, 3.12740350e-05, 3.86717693e-05]
 
     np.testing.assert_allclose(t, t_ref)
     np.testing.assert_allclose(r, np.array(n_ref) * xs_ref)
@@ -136,8 +136,8 @@ def test_get_keff(res):
     t_min, k = res.get_keff(time_units='min')
 
     t_ref = [0.0, 1296000.0, 2592000.0, 3888000.0]
-    k_ref = [1.1596402556, 1.1914183335, 1.2292570871, 1.1797030302]
-    u_ref = [0.0270680649, 0.0219163444, 0.024268508 , 0.0221401194]
+    k_ref = [1.1773089172, 1.2231748584, 1.1611455694, 1.1714783649]
+    u_ref = [0.0384666252, 0.0311915665, 0.0226370102, 0.0315964732]
 
     np.testing.assert_allclose(t, t_ref)
     np.testing.assert_allclose(t_min * 60, t_ref)
diff --git a/tests/unit_tests/test_lib.py b/tests/unit_tests/test_lib.py
index 8080ce894..43bc5a8f6 100644
--- a/tests/unit_tests/test_lib.py
+++ b/tests/unit_tests/test_lib.py
@@ -161,16 +161,21 @@ def test_properties_temperature(lib_init):
 
 def test_cell_density(lib_init):
     cell = openmc.lib.cells[1]
-    cell.set_density(1.5, 0)
-    assert cell.get_density(0) == pytest.approx(1.5)
-    cell.set_density(2.0)
-    assert cell.get_density() == pytest.approx(2.0)
+    print('density', cell.get_density())
+    orig_density = cell.get_density()
+    try:
+        cell.set_density(1.5, 0)
+        assert cell.get_density(0) == pytest.approx(1.5)
+        cell.set_density(2.0)
+        assert cell.get_density() == pytest.approx(2.0)
+    finally:
+        cell.set_density(orig_density)
 
 
 def test_properties_cell_density(lib_init):
     # Cell density should be 2.0 from above test
     cell = openmc.lib.cells[1]
-    assert cell.get_density() == pytest.approx(2.0)
+    orig_density = cell.get_density()
 
     # Export properties and change density
     openmc.lib.export_properties('properties.h5')
@@ -179,7 +184,7 @@ def test_properties_cell_density(lib_init):
 
     # Import properties and check that density is restored
     openmc.lib.import_properties('properties.h5')
-    assert cell.get_density() == pytest.approx(2.0)
+    assert cell.get_density() == pytest.approx(orig_density)
 
 
 def test_new_cell(lib_init):
diff --git a/tests/unit_tests/test_settings.py b/tests/unit_tests/test_settings.py
index 7f202bcdc..6611e4227 100644
--- a/tests/unit_tests/test_settings.py
+++ b/tests/unit_tests/test_settings.py
@@ -67,6 +67,7 @@ def test_export_to_xml(run_in_tmpdir):
         )
     }
     s.max_particle_events = 100
+    s.max_secondaries = 1_000_000
     s.source_rejection_fraction = 0.01
 
     # Make sure exporting XML works
@@ -144,4 +145,5 @@ def test_export_to_xml(run_in_tmpdir):
     assert s.random_ray['distance_active'] == 100.0
     assert s.random_ray['ray_source'].space.lower_left == [-1., -1., -1.]
     assert s.random_ray['ray_source'].space.upper_right == [1., 1., 1.]
+    assert s.max_secondaries == 1_000_000
     assert s.source_rejection_fraction == 0.01
diff --git a/tests/unit_tests/test_statepoint_batches.py b/tests/unit_tests/test_statepoint_batches.py
new file mode 100644
index 000000000..bf54e1878
--- /dev/null
+++ b/tests/unit_tests/test_statepoint_batches.py
@@ -0,0 +1,26 @@
+from pathlib import Path
+
+import openmc
+
+
+def test_statepoint_batches(run_in_tmpdir):
+    # Create a minimal model
+    mat = openmc.Material()
+    mat.add_nuclide('U235', 1.0)
+    mat.set_density('g/cm3', 4.5)
+    sphere = openmc.Sphere(r=10.0, boundary_type='vacuum')
+    cell = openmc.Cell(fill=mat, region=-sphere)
+    model = openmc.Model()
+    model.geometry = openmc.Geometry([cell])
+    model.settings.batches = 10
+    model.settings.inactive = 5
+    model.settings.particles = 100
+
+    # Specify when statepoints should be written
+    model.settings.statepoint = {'batches': [3, 6, 9]}
+
+    # Run model and ensure that statepoints are created
+    model.run()
+    sp_files = ['statepoint.03.h5', 'statepoint.06.h5', 'statepoint.09.h5']
+    for f in sp_files:
+        assert Path(f).is_file()

From ca63da91b9b0fc0cd144766155b533318d4a71c3 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Fri, 19 Sep 2025 15:00:51 -0500
Subject: [PATCH 2394/2654] Ensure n_dimension_ attribute is set for
 unstructured meshes. (#3575)

---
 include/openmc/mesh.h | 3 +--
 src/mesh.cpp          | 5 +++++
 2 files changed, 6 insertions(+), 2 deletions(-)

diff --git a/include/openmc/mesh.h b/include/openmc/mesh.h
index c15e25697..fbc6c46f5 100644
--- a/include/openmc/mesh.h
+++ b/include/openmc/mesh.h
@@ -666,9 +666,8 @@ class UnstructuredMesh : public Mesh {
 
 public:
   // Constructors
-  UnstructuredMesh() {};
+  UnstructuredMesh() { n_dimension_ = 3; };
   UnstructuredMesh(pugi::xml_node node);
-  UnstructuredMesh(const std::string& filename);
 
   static const std::string mesh_type;
   virtual std::string get_mesh_type() const override;
diff --git a/src/mesh.cpp b/src/mesh.cpp
index 3e4ff1a3e..b7396a25a 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -590,6 +590,8 @@ Position StructuredMesh::sample_element(
 
 UnstructuredMesh::UnstructuredMesh(pugi::xml_node node) : Mesh(node)
 {
+  n_dimension_ = 3;
+
   // check the mesh type
   if (check_for_node(node, "type")) {
     auto temp = get_node_value(node, "type", true, true);
@@ -2519,7 +2521,9 @@ MOABMesh::MOABMesh(pugi::xml_node node) : UnstructuredMesh(node)
 }
 
 MOABMesh::MOABMesh(const std::string& filename, double length_multiplier)
+  : UnstructuredMesh()
 {
+  n_dimension_ = 3;
   filename_ = filename;
   set_length_multiplier(length_multiplier);
   initialize();
@@ -3242,6 +3246,7 @@ LibMesh::LibMesh(libMesh::MeshBase& input_mesh, double length_multiplier)
 LibMesh::LibMesh(const std::string& filename, double length_multiplier)
   : adaptive_(false)
 {
+  n_dimension_ = 3;
   set_mesh_pointer_from_filename(filename);
   set_length_multiplier(length_multiplier);
   initialize();

From 8f36ff2b3a5e2984254f7b21f1b92af7ad18140b Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 23 Sep 2025 10:06:29 -0500
Subject: [PATCH 2395/2654] Update find_package calls in OpenMCConfig.cmake
 (#3572)

---
 cmake/OpenMCConfig.cmake.in                         | 11 +++++++----
 openmc/deplete/transfer_rates.py                    |  2 +-
 tests/regression_tests/unstructured_mesh/test.py    |  2 +-
 tests/unit_tests/dagmc/test_plot.py                 |  5 ++++-
 tests/unit_tests/test_model.py                      |  4 ++++
 tests/unit_tests/test_region.py                     |  4 ++++
 tests/unit_tests/test_universe.py                   |  4 ++++
 tests/unit_tests/weightwindows/test_wwinp_reader.py |  2 +-
 tools/ci/gha-script.sh                              |  5 ++++-
 9 files changed, 30 insertions(+), 9 deletions(-)

diff --git a/cmake/OpenMCConfig.cmake.in b/cmake/OpenMCConfig.cmake.in
index 3fe0c1bcd..837a39c78 100644
--- a/cmake/OpenMCConfig.cmake.in
+++ b/cmake/OpenMCConfig.cmake.in
@@ -1,9 +1,12 @@
 get_filename_component(OpenMC_CMAKE_DIR "${CMAKE_CURRENT_LIST_FILE}" DIRECTORY)
 
-find_package(fmt REQUIRED HINTS ${OpenMC_CMAKE_DIR}/../fmt)
-find_package(pugixml REQUIRED HINTS ${OpenMC_CMAKE_DIR}/../pugixml)
-find_package(xtl REQUIRED HINTS ${OpenMC_CMAKE_DIR}/../xtl)
-find_package(xtensor REQUIRED HINTS ${OpenMC_CMAKE_DIR}/../xtensor)
+# Compute the install prefix from this file's location
+get_filename_component(_OPENMC_PREFIX "${OpenMC_CMAKE_DIR}/../../.." ABSOLUTE)
+
+find_package(fmt CONFIG REQUIRED HINTS ${_OPENMC_PREFIX})
+find_package(pugixml CONFIG REQUIRED HINTS ${_OPENMC_PREFIX})
+find_package(xtl CONFIG REQUIRED HINTS ${_OPENMC_PREFIX})
+find_package(xtensor CONFIG REQUIRED HINTS ${_OPENMC_PREFIX})
 if(@OPENMC_USE_DAGMC@)
   find_package(DAGMC REQUIRED HINTS @DAGMC_DIR@)
 endif()
diff --git a/openmc/deplete/transfer_rates.py b/openmc/deplete/transfer_rates.py
index 4c28c7d15..4f2b9aba5 100644
--- a/openmc/deplete/transfer_rates.py
+++ b/openmc/deplete/transfer_rates.py
@@ -366,7 +366,7 @@ class ExternalSourceRates(ExternalRates):
         rate : float
             External source rate in units of mass per time. A positive or
             negative value corresponds to a feed or removal rate, respectively.
-        units : {'g/s', 'g/min', 'g/h', 'g/d', 'g/a'}
+        rate_units : {'g/s', 'g/min', 'g/h', 'g/d', 'g/a'}
             Units for values specified in the `rate` argument. 's' for seconds,
             'min' for minutes, 'h' for hours, 'a' for Julian years.
         timesteps : list of int, optional
diff --git a/tests/regression_tests/unstructured_mesh/test.py b/tests/regression_tests/unstructured_mesh/test.py
index 0082198dd..7607531d8 100644
--- a/tests/regression_tests/unstructured_mesh/test.py
+++ b/tests/regression_tests/unstructured_mesh/test.py
@@ -256,7 +256,7 @@ for i, (lib, estimator, ext_geom, holes) in enumerate(product(*param_values)):
 def test_unstructured_mesh_tets(model, test_opts):
     # skip the test if the library is not enabled
     if test_opts['library'] == 'moab' and not openmc.lib._dagmc_enabled():
-        pytest.skip("DAGMC (and MOAB) mesh not enbaled in this build.")
+        pytest.skip("DAGMC (and MOAB) mesh not enabled in this build.")
 
     if test_opts['library'] == 'libmesh' and not openmc.lib._libmesh_enabled():
         pytest.skip("LibMesh is not enabled in this build.")
diff --git a/tests/unit_tests/dagmc/test_plot.py b/tests/unit_tests/dagmc/test_plot.py
index 62022b258..6ce1d79a2 100644
--- a/tests/unit_tests/dagmc/test_plot.py
+++ b/tests/unit_tests/dagmc/test_plot.py
@@ -64,5 +64,8 @@ def test_plotting_geometry_filled_with_dagmc_universe(request):
     cell2 = openmc.Cell(fill=csg_material, region=+sphere1 & -sphere2)
 
     geometry = openmc.Geometry([cell1, cell2])
-
     geometry.plot()
+
+    # Close plot to avoid warning
+    import matplotlib.pyplot as plt
+    plt.close()
diff --git a/tests/unit_tests/test_model.py b/tests/unit_tests/test_model.py
index 12f0df6c9..60f8b1a25 100644
--- a/tests/unit_tests/test_model.py
+++ b/tests/unit_tests/test_model.py
@@ -654,6 +654,10 @@ def test_model_plot():
     test_mask = (image_data == white) | (image_data == red)
     assert np.all(test_mask), "Colors other than white or red found in overlap plot image"
 
+    # Close plots to avoid warning
+    import matplotlib.pyplot as plt
+    plt.close('all')
+
 
 def test_model_id_map_initialization(run_in_tmpdir):
     model = openmc.examples.pwr_assembly()
diff --git a/tests/unit_tests/test_region.py b/tests/unit_tests/test_region.py
index cbcd19831..cb9fa171b 100644
--- a/tests/unit_tests/test_region.py
+++ b/tests/unit_tests/test_region.py
@@ -248,6 +248,10 @@ def test_plot():
     c_before = openmc.Cell()
     region.plot()
 
+    # Close plot to avoid warning
+    import matplotlib.pyplot as plt
+    plt.close()
+
     # Ensure that calling plot doesn't affect cell ID space
     c_after = openmc.Cell()
     assert c_after.id - 1 == c_before.id
diff --git a/tests/unit_tests/test_universe.py b/tests/unit_tests/test_universe.py
index 46d4ec3f7..efe8552a6 100644
--- a/tests/unit_tests/test_universe.py
+++ b/tests/unit_tests/test_universe.py
@@ -99,6 +99,10 @@ def test_plot(run_in_tmpdir, sphere_model):
             pixels=100,
         )
 
+    # Close plots to avoid warning
+    import matplotlib.pyplot as plt
+    plt.close('all')
+
 
 def test_get_nuclides(uo2):
     c = openmc.Cell(fill=uo2)
diff --git a/tests/unit_tests/weightwindows/test_wwinp_reader.py b/tests/unit_tests/weightwindows/test_wwinp_reader.py
index 28548a448..637463bb2 100644
--- a/tests/unit_tests/weightwindows/test_wwinp_reader.py
+++ b/tests/unit_tests/weightwindows/test_wwinp_reader.py
@@ -140,4 +140,4 @@ def test_wwinp_reader_failures(wwinp_data, request):
     filename, expected_failure = wwinp_data
 
     with pytest.raises(expected_failure):
-        _ = openmc.wwinp_to_wws(request.node.path.parent / filename)
+        _ = openmc.WeightWindowsList.from_wwinp(request.node.path.parent / filename)
diff --git a/tools/ci/gha-script.sh b/tools/ci/gha-script.sh
index c0f754c32..c1d292137 100755
--- a/tools/ci/gha-script.sh
+++ b/tools/ci/gha-script.sh
@@ -15,4 +15,7 @@ if [[ $EVENT == 'y' ]]; then
 fi
 
 # Run unit tests and then regression tests
-pytest --cov=openmc -v $args tests/unit_tests tests/regression_tests
+pytest --cov=openmc -v $args \
+  tests/test_matplotlib_import.py \
+  tests/unit_tests \
+  tests/regression_tests

From ed433fe1cd9479e355cfe4ca6ec8fb99359f98cf Mon Sep 17 00:00:00 2001
From: Kevin Sawatzky <66632997+nuclearkevin@users.noreply.github.com>
Date: Tue, 23 Sep 2025 11:31:14 -0500
Subject: [PATCH 2396/2654] Fix performance regression in libMesh unstructured
 mesh tallies (#3577)

---
 include/openmc/mesh.h |  49 ++++++++++++++-----
 src/mesh.cpp          | 109 ++++++++++++++++++++++++------------------
 2 files changed, 101 insertions(+), 57 deletions(-)

diff --git a/include/openmc/mesh.h b/include/openmc/mesh.h
index fbc6c46f5..a56705c9e 100644
--- a/include/openmc/mesh.h
+++ b/include/openmc/mesh.h
@@ -990,25 +990,26 @@ public:
 
   libMesh::MeshBase* mesh_ptr() const { return m_; };
 
+protected:
+  // Methods
+
+  //! Translate a bin value to an element reference
+  virtual const libMesh::Elem& get_element_from_bin(int bin) const;
+
+  //! Translate an element pointer to a bin index
+  virtual int get_bin_from_element(const libMesh::Elem* elem) const;
+
+  libMesh::MeshBase* m_; //!< pointer to libMesh MeshBase instance, always set
+                         //!< during intialization
 private:
   void initialize() override;
   void set_mesh_pointer_from_filename(const std::string& filename);
   void build_eqn_sys();
 
-  // Methods
-
-  //! Translate a bin value to an element reference
-  const libMesh::Elem& get_element_from_bin(int bin) const;
-
-  //! Translate an element pointer to a bin index
-  int get_bin_from_element(const libMesh::Elem* elem) const;
-
   // Data members
   unique_ptr<libMesh::MeshBase> unique_m_ =
     nullptr; //!< pointer to the libMesh MeshBase instance, only used if mesh is
              //!< created inside OpenMC
-  libMesh::MeshBase* m_; //!< pointer to libMesh MeshBase instance, always set
-                         //!< during intialization
   vector<unique_ptr<libMesh::PointLocatorBase>>
     pl_; //!< per-thread point locators
   unique_ptr<libMesh::EquationSystems>
@@ -1022,8 +1023,34 @@ private:
   libMesh::BoundingBox bbox_; //!< bounding box of the mesh
   libMesh::dof_id_type
     first_element_id_; //!< id of the first element in the mesh
+};
+
+class AdaptiveLibMesh : public LibMesh {
+public:
+  // Constructor
+  AdaptiveLibMesh(
+    libMesh::MeshBase& input_mesh, double length_multiplier = 1.0);
+
+  // Overridden methods
+  int n_bins() const override;
+
+  void add_score(const std::string& var_name) override;
+
+  void set_score_data(const std::string& var_name, const vector<double>& values,
+    const vector<double>& std_dev) override;
+
+  void write(const std::string& filename) const override;
+
+protected:
+  // Overridden methods
+  int get_bin_from_element(const libMesh::Elem* elem) const override;
+
+  const libMesh::Elem& get_element_from_bin(int bin) const override;
+
+private:
+  // Data members
+  const libMesh::dof_id_type num_active_; //!< cached number of active elements
 
-  const bool adaptive_; //!< whether this mesh has adaptivity enabled or not
   std::vector<libMesh::dof_id_type>
     bin_to_elem_map_; //!< mapping bin indices to dof indices for active
                       //!< elements
diff --git a/src/mesh.cpp b/src/mesh.cpp
index b7396a25a..58d218b9c 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -3219,7 +3219,7 @@ void MOABMesh::write(const std::string& base_filename) const
 
 const std::string LibMesh::mesh_lib_type = "libmesh";
 
-LibMesh::LibMesh(pugi::xml_node node) : UnstructuredMesh(node), adaptive_(false)
+LibMesh::LibMesh(pugi::xml_node node) : UnstructuredMesh(node)
 {
   // filename_ and length_multiplier_ will already be set by the
   // UnstructuredMesh constructor
@@ -3230,7 +3230,6 @@ LibMesh::LibMesh(pugi::xml_node node) : UnstructuredMesh(node), adaptive_(false)
 
 // create the mesh from a pointer to a libMesh Mesh
 LibMesh::LibMesh(libMesh::MeshBase& input_mesh, double length_multiplier)
-  : adaptive_(input_mesh.n_active_elem() != input_mesh.n_elem())
 {
   if (!dynamic_cast<libMesh::ReplicatedMesh*>(&input_mesh)) {
     fatal_error("At present LibMesh tallies require a replicated mesh. Please "
@@ -3244,7 +3243,6 @@ LibMesh::LibMesh(libMesh::MeshBase& input_mesh, double length_multiplier)
 
 // create the mesh from an input file
 LibMesh::LibMesh(const std::string& filename, double length_multiplier)
-  : adaptive_(false)
 {
   n_dimension_ = 3;
   set_mesh_pointer_from_filename(filename);
@@ -3307,21 +3305,6 @@ void LibMesh::initialize()
   auto first_elem = *m_->elements_begin();
   first_element_id_ = first_elem->id();
 
-  // if the mesh is adaptive elements aren't guaranteed by libMesh to be
-  // contiguous in ID space, so we need to map from bin indices (defined over
-  // active elements) to global dof ids
-  if (adaptive_) {
-    bin_to_elem_map_.reserve(m_->n_active_elem());
-    elem_to_bin_map_.resize(m_->n_elem(), -1);
-    for (auto it = m_->active_elements_begin(); it != m_->active_elements_end();
-         it++) {
-      auto elem = *it;
-
-      bin_to_elem_map_.push_back(elem->id());
-      elem_to_bin_map_[elem->id()] = bin_to_elem_map_.size() - 1;
-    }
-  }
-
   // bounding box for the mesh for quick rejection checks
   bbox_ = libMesh::MeshTools::create_bounding_box(*m_);
   libMesh::Point ll = bbox_.min();
@@ -3379,7 +3362,7 @@ std::string LibMesh::library() const
 
 int LibMesh::n_bins() const
 {
-  return m_->n_active_elem();
+  return m_->n_elem();
 }
 
 int LibMesh::n_surface_bins() const
@@ -3402,14 +3385,6 @@ int LibMesh::n_surface_bins() const
 
 void LibMesh::add_score(const std::string& var_name)
 {
-  if (adaptive_) {
-    warning(fmt::format(
-      "Exodus output cannot be provided as unstructured mesh {} is adaptive.",
-      this->id_));
-
-    return;
-  }
-
   if (!equation_systems_) {
     build_eqn_sys();
   }
@@ -3445,14 +3420,6 @@ void LibMesh::remove_scores()
 void LibMesh::set_score_data(const std::string& var_name,
   const vector<double>& values, const vector<double>& std_dev)
 {
-  if (adaptive_) {
-    warning(fmt::format(
-      "Exodus output cannot be provided as unstructured mesh {} is adaptive.",
-      this->id_));
-
-    return;
-  }
-
   if (!equation_systems_) {
     build_eqn_sys();
   }
@@ -3496,14 +3463,6 @@ void LibMesh::set_score_data(const std::string& var_name,
 
 void LibMesh::write(const std::string& filename) const
 {
-  if (adaptive_) {
-    warning(fmt::format(
-      "Exodus output cannot be provided as unstructured mesh {} is adaptive.",
-      this->id_));
-
-    return;
-  }
-
   write_message(fmt::format(
     "Writing file: {}.e for unstructured mesh {}", filename, this->id_));
   libMesh::ExodusII_IO exo(*m_);
@@ -3537,8 +3496,7 @@ int LibMesh::get_bin(Position r) const
 
 int LibMesh::get_bin_from_element(const libMesh::Elem* elem) const
 {
-  int bin =
-    adaptive_ ? elem_to_bin_map_[elem->id()] : elem->id() - first_element_id_;
+  int bin = elem->id() - first_element_id_;
   if (bin >= n_bins() || bin < 0) {
     fatal_error(fmt::format("Invalid bin: {}", bin));
   }
@@ -3553,7 +3511,7 @@ std::pair<vector<double>, vector<double>> LibMesh::plot(
 
 const libMesh::Elem& LibMesh::get_element_from_bin(int bin) const
 {
-  return adaptive_ ? m_->elem_ref(bin_to_elem_map_.at(bin)) : m_->elem_ref(bin);
+  return m_->elem_ref(bin);
 }
 
 double LibMesh::volume(int bin) const
@@ -3561,6 +3519,65 @@ double LibMesh::volume(int bin) const
   return this->get_element_from_bin(bin).volume();
 }
 
+AdaptiveLibMesh::AdaptiveLibMesh(
+  libMesh::MeshBase& input_mesh, double length_multiplier)
+  : LibMesh(input_mesh, length_multiplier), num_active_(m_->n_active_elem())
+{
+  // if the mesh is adaptive elements aren't guaranteed by libMesh to be
+  // contiguous in ID space, so we need to map from bin indices (defined over
+  // active elements) to global dof ids
+  bin_to_elem_map_.reserve(num_active_);
+  elem_to_bin_map_.resize(m_->n_elem(), -1);
+  for (auto it = m_->active_elements_begin(); it != m_->active_elements_end();
+       it++) {
+    auto elem = *it;
+
+    bin_to_elem_map_.push_back(elem->id());
+    elem_to_bin_map_[elem->id()] = bin_to_elem_map_.size() - 1;
+  }
+}
+
+int AdaptiveLibMesh::n_bins() const
+{
+  return num_active_;
+}
+
+void AdaptiveLibMesh::add_score(const std::string& var_name)
+{
+  warning(fmt::format(
+    "Exodus output cannot be provided as unstructured mesh {} is adaptive.",
+    this->id_));
+}
+
+void AdaptiveLibMesh::set_score_data(const std::string& var_name,
+  const vector<double>& values, const vector<double>& std_dev)
+{
+  warning(fmt::format(
+    "Exodus output cannot be provided as unstructured mesh {} is adaptive.",
+    this->id_));
+}
+
+void AdaptiveLibMesh::write(const std::string& filename) const
+{
+  warning(fmt::format(
+    "Exodus output cannot be provided as unstructured mesh {} is adaptive.",
+    this->id_));
+}
+
+int AdaptiveLibMesh::get_bin_from_element(const libMesh::Elem* elem) const
+{
+  int bin = elem_to_bin_map_[elem->id()];
+  if (bin >= n_bins() || bin < 0) {
+    fatal_error(fmt::format("Invalid bin: {}", bin));
+  }
+  return bin;
+}
+
+const libMesh::Elem& AdaptiveLibMesh::get_element_from_bin(int bin) const
+{
+  return m_->elem_ref(bin_to_elem_map_.at(bin));
+}
+
 #endif // OPENMC_LIBMESH_ENABLED
 
 //==============================================================================

From 66e7d8634cbace480e3f6ccf58ca959ecfbf614e Mon Sep 17 00:00:00 2001
From: GuySten <62616591+GuySten@users.noreply.github.com>
Date: Wed, 24 Sep 2025 11:02:19 +0200
Subject: [PATCH 2397/2654] Remove several TODOs related to C++17 support
 (#3574)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 src/bank.cpp           | 13 +++----------
 src/event.cpp          | 13 +++++++------
 src/hdf5_interface.cpp |  3 +--
 3 files changed, 11 insertions(+), 18 deletions(-)

diff --git a/src/bank.cpp b/src/bank.cpp
index 9955939f6..3e806b3c0 100644
--- a/src/bank.cpp
+++ b/src/bank.cpp
@@ -79,16 +79,9 @@ void sort_fission_bank()
 
   // Perform exclusive scan summation to determine starting indices in fission
   // bank for each parent particle id
-  int64_t tmp = simulation::progeny_per_particle[0];
-  simulation::progeny_per_particle[0] = 0;
-  for (int64_t i = 1; i < simulation::progeny_per_particle.size(); i++) {
-    int64_t value = simulation::progeny_per_particle[i - 1] + tmp;
-    tmp = simulation::progeny_per_particle[i];
-    simulation::progeny_per_particle[i] = value;
-  }
-
-  // TODO: C++17 introduces the exclusive_scan() function which could be
-  // used to replace everything above this point in this function.
+  std::exclusive_scan(simulation::progeny_per_particle.begin(),
+    simulation::progeny_per_particle.end(),
+    simulation::progeny_per_particle.begin(), 0);
 
   // We need a scratch vector to make permutation of the fission bank into
   // sorted order easy. Under normal usage conditions, the fission bank is
diff --git a/src/event.cpp b/src/event.cpp
index aa3987504..f33e132d0 100644
--- a/src/event.cpp
+++ b/src/event.cpp
@@ -1,4 +1,5 @@
 #include "openmc/event.h"
+
 #include "openmc/material.h"
 #include "openmc/simulation.h"
 #include "openmc/timer.h"
@@ -73,17 +74,17 @@ void process_calculate_xs_events(SharedArray<EventQueueItem>& queue)
 {
   simulation::time_event_calculate_xs.start();
 
-  // TODO: If using C++17, perform a parallel sort of the queue
-  // by particle type, material type, and then energy, in order to
-  // improve cache locality and reduce thread divergence on GPU. Prior
-  // to C++17, std::sort is a serial only operation, which in this case
-  // makes it too slow to be practical for most test problems.
+  // TODO: If using C++17, we could perform a parallel sort of the queue by
+  // particle type, material type, and then energy, in order to improve cache
+  // locality and reduce thread divergence on GPU. However, the parallel
+  // algorithms typically require linking against an additional library (Intel
+  // TBB). Prior to C++17, std::sort is a serial only operation, which in this
+  // case makes it too slow to be practical for most test problems.
   //
   // std::sort(std::execution::par_unseq, queue.data(), queue.data() +
   // queue.size());
 
   int64_t offset = simulation::advance_particle_queue.size();
-  ;
 
 #pragma omp parallel for schedule(runtime)
   for (int64_t i = 0; i < queue.size(); i++) {
diff --git a/src/hdf5_interface.cpp b/src/hdf5_interface.cpp
index e90aa7490..bf1f79549 100644
--- a/src/hdf5_interface.cpp
+++ b/src/hdf5_interface.cpp
@@ -225,8 +225,7 @@ void get_name(hid_t obj_id, std::string& name)
 {
   size_t size = 1 + H5Iget_name(obj_id, nullptr, 0);
   name.resize(size);
-  // TODO: switch to name.data() when using C++17
-  H5Iget_name(obj_id, &name[0], size);
+  H5Iget_name(obj_id, name.data(), size);
 }
 
 int get_num_datasets(hid_t group_id)

From 767db7e6a090b88a594be72b4971d71e3c2be243 Mon Sep 17 00:00:00 2001
From: Joffrey Dorville <54550047+JoffreyDorville@users.noreply.github.com>
Date: Thu, 25 Sep 2025 14:58:29 -0500
Subject: [PATCH 2398/2654] Fix IFP implementation (#3580)

---
 include/openmc/ifp.h                          |   7 +++----
 include/openmc/particle_data.h                |   1 +
 src/ifp.cpp                                   |   4 ++--
 src/particle.cpp                              |   1 +
 src/physics.cpp                               |   9 +++------
 tests/regression_tests/ifp/results_true.dat   |   4 ++--
 .../case-03/surface_source_true.h5            | Bin 33344 -> 33344 bytes
 .../case-04/surface_source_true.h5            | Bin 33344 -> 33344 bytes
 .../case-05/surface_source_true.h5            | Bin 33344 -> 33344 bytes
 .../case-07/surface_source_true.h5            | Bin 33344 -> 33344 bytes
 .../case-08/surface_source_true.h5            | Bin 33344 -> 33344 bytes
 .../case-09/surface_source_true.h5            | Bin 33344 -> 33344 bytes
 .../case-10/surface_source_true.h5            | Bin 33344 -> 33344 bytes
 .../case-12/surface_source_true.h5            | Bin 33344 -> 33344 bytes
 .../case-13/surface_source_true.h5            | Bin 33344 -> 33344 bytes
 .../case-14/surface_source_true.h5            | Bin 33344 -> 33344 bytes
 .../case-a01/surface_source_true.h5           | Bin 6720 -> 6720 bytes
 .../case-d07/surface_source_true.h5           | Bin 33344 -> 33344 bytes
 .../case-d08/surface_source_true.h5           | Bin 33344 -> 33344 bytes
 .../case-e01/surface_source_true.h5           | Bin 33344 -> 33344 bytes
 .../case-e02/surface_source_true.h5           | Bin 33344 -> 33344 bytes
 .../case-e03/surface_source_true.h5           | Bin 33344 -> 33344 bytes
 22 files changed, 12 insertions(+), 14 deletions(-)

diff --git a/include/openmc/ifp.h b/include/openmc/ifp.h
index 633a262d5..01904d13c 100644
--- a/include/openmc/ifp.h
+++ b/include/openmc/ifp.h
@@ -68,15 +68,14 @@ vector<T> _ifp(const T& value, const vector<T>& data)
 //!
 //! Add the IFP information in the IFP banks using the same index
 //! as the one used to append the fission site to the fission bank.
+//! The information stored are the delayed group number and lifetime
+//! of the neutron that created the fission event.
 //! Multithreading protection is guaranteed by the index returned by the
 //! thread_safe_append call in physics.cpp.
 //!
-//! Needs to be done after the delayed group is found.
-//!
 //! \param[in] p Particle
-//! \param[in] site Fission site
 //! \param[in] idx Bank index from the thread_safe_append call in physics.cpp
-void ifp(const Particle& p, const SourceSite& site, int64_t idx);
+void ifp(const Particle& p, int64_t idx);
 
 //! Resize the IFP banks used in the simulation
 void resize_simulation_ifp_banks();
diff --git a/include/openmc/particle_data.h b/include/openmc/particle_data.h
index 1a22f5837..afcd56476 100644
--- a/include/openmc/particle_data.h
+++ b/include/openmc/particle_data.h
@@ -631,6 +631,7 @@ public:
   int& event_mt() { return event_mt_; } // MT number of collision
   const int& event_mt() const { return event_mt_; }
   int& delayed_group() { return delayed_group_; } // delayed group
+  const int& delayed_group() const { return delayed_group_; }
   const int& parent_nuclide() const { return parent_nuclide_; }
   int& parent_nuclide() { return parent_nuclide_; } // Parent nuclide
 
diff --git a/src/ifp.cpp b/src/ifp.cpp
index 1f81f26f6..cc4a76538 100644
--- a/src/ifp.cpp
+++ b/src/ifp.cpp
@@ -28,13 +28,13 @@ bool is_generation_time_or_both()
   return false;
 }
 
-void ifp(const Particle& p, const SourceSite& site, int64_t idx)
+void ifp(const Particle& p, int64_t idx)
 {
   if (is_beta_effective_or_both()) {
     const auto& delayed_groups =
       simulation::ifp_source_delayed_group_bank[p.current_work() - 1];
     simulation::ifp_fission_delayed_group_bank[idx] =
-      _ifp(site.delayed_group, delayed_groups);
+      _ifp(p.delayed_group(), delayed_groups);
   }
   if (is_generation_time_or_both()) {
     const auto& lifetimes =
diff --git a/src/particle.cpp b/src/particle.cpp
index f5ad45d80..402af2498 100644
--- a/src/particle.cpp
+++ b/src/particle.cpp
@@ -144,6 +144,7 @@ void Particle::from_source(const SourceSite* src)
   time() = src->time;
   time_last() = src->time;
   parent_nuclide() = src->parent_nuclide;
+  delayed_group() = src->delayed_group;
 
   // Convert signed surface ID to signed index
   if (src->surf_id != SURFACE_NONE) {
diff --git a/src/physics.cpp b/src/physics.cpp
index f667fd586..e947fecbb 100644
--- a/src/physics.cpp
+++ b/src/physics.cpp
@@ -246,18 +246,15 @@ void create_fission_sites(Particle& p, int i_nuclide, const Reaction& rx)
       }
       // Iterated Fission Probability (IFP) method
       if (settings::ifp_on) {
-        ifp(p, site, idx);
+        ifp(p, idx);
       }
     } else {
       p.secondary_bank().push_back(site);
     }
 
-    // Set the delayed group on the particle as well
-    p.delayed_group() = site.delayed_group;
-
     // Increment the number of neutrons born delayed
-    if (p.delayed_group() > 0) {
-      nu_d[p.delayed_group() - 1]++;
+    if (site.delayed_group > 0) {
+      nu_d[site.delayed_group - 1]++;
     }
 
     // Write fission particles to nuBank
diff --git a/tests/regression_tests/ifp/results_true.dat b/tests/regression_tests/ifp/results_true.dat
index 1d8f69e12..466ca1f01 100644
--- a/tests/regression_tests/ifp/results_true.dat
+++ b/tests/regression_tests/ifp/results_true.dat
@@ -3,7 +3,7 @@ k-combined:
 tally 1:
 9.109384E-08
 5.667165E-16
-6.500000E-02
-6.710000E-04
+5.200000E-02
+5.420000E-04
 1.489000E+01
 1.480036E+01
diff --git a/tests/regression_tests/surface_source_write/case-03/surface_source_true.h5 b/tests/regression_tests/surface_source_write/case-03/surface_source_true.h5
index 4dd5f821af92dd98395a8df31af2a81fab8a8ba4..228f5a7d0a462f38a1cb0b4274dd40d4307b5a12 100644
GIT binary patch
delta 42
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delta 42
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From 781dbf9c12b70937e9d3dc10c2ba29228e996b5c Mon Sep 17 00:00:00 2001
From: Alex Nellis <79525520+realmisch@users.noreply.github.com>
Date: Fri, 26 Sep 2025 12:27:05 -0400
Subject: [PATCH 2399/2654] Multi-group capability for kinetics parameter
 calculations with Iterated Fission Probability (#3425)

Co-authored-by: GuySten <guyste@post.bgu.ac.il>
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 docs/source/usersguide/kinetics.rst           | 25 +++++++-
 openmc/model/model.py                         | 41 +++++++++++--
 openmc/statepoint.py                          | 58 +++++++++++++++++++
 src/tallies/tally.cpp                         |  3 +-
 src/tallies/tally_scoring.cpp                 |  9 +++
 .../ifp/groupwise/__init__.py                 |  0
 .../ifp/groupwise/inputs_true.dat             | 43 ++++++++++++++
 .../ifp/groupwise/results_true.dat            | 21 +++++++
 tests/regression_tests/ifp/groupwise/test.py  | 40 +++++++++++++
 tests/regression_tests/ifp/total/__init__.py  |  0
 .../ifp/{ => total}/inputs_true.dat           |  0
 .../ifp/{ => total}/results_true.dat          |  0
 .../regression_tests/ifp/{ => total}/test.py  |  1 -
 tests/unit_tests/test_ifp.py                  | 39 +++++++++++++
 14 files changed, 272 insertions(+), 8 deletions(-)
 create mode 100644 tests/regression_tests/ifp/groupwise/__init__.py
 create mode 100644 tests/regression_tests/ifp/groupwise/inputs_true.dat
 create mode 100644 tests/regression_tests/ifp/groupwise/results_true.dat
 create mode 100644 tests/regression_tests/ifp/groupwise/test.py
 create mode 100644 tests/regression_tests/ifp/total/__init__.py
 rename tests/regression_tests/ifp/{ => total}/inputs_true.dat (100%)
 rename tests/regression_tests/ifp/{ => total}/results_true.dat (100%)
 rename tests/regression_tests/ifp/{ => total}/test.py (99%)

diff --git a/docs/source/usersguide/kinetics.rst b/docs/source/usersguide/kinetics.rst
index bdf26d341..9024ff822 100644
--- a/docs/source/usersguide/kinetics.rst
+++ b/docs/source/usersguide/kinetics.rst
@@ -67,6 +67,23 @@ are needed to compute kinetics parameters in OpenMC:
 Obtaining kinetics parameters
 -----------------------------
 
+The ``Model`` class can be used to automatically generate all IFP tallies using
+the Python API with :attr:`openmc.Settings.ifp_n_generation` greater than 0 and
+the :meth:`openmc.Model.add_ifp_kinetics_tallies` method::
+
+    model = openmc.Model(geometry, settings=settings)
+    model.add_kinetics_parameters_tallies(num_groups=6)  # Add 6 precursor groups
+
+Alternatively, each of the tallies can be manually defined using group-wise or
+total :math:`\beta_{\text{eff}}` specified by providing a 6-group
+:class:`openmc.DelayedGroupFilter`::
+
+    beta_tally = openmc.Tally(name="group-beta-score")
+    beta_tally.scores = ["ifp-beta-numerator"]
+
+    # Add DelayedGroupFilter to enable group-wise tallies
+    beta_tally.filters = [openmc.DelayedGroupFilter(list(range(1, 7)))]
+
 Here is an example showing how to declare the three available IFP scores in a
 single tally::
 
@@ -95,6 +112,12 @@ for ``ifp-denominator``:
 
     \beta_{\text{eff}} = \frac{S_{\text{ifp-beta-numerator}}}{S_{\text{ifp-denominator}}}
 
+The kinetics parameters can be retrieved directly from a statepoint file using
+the :meth:`openmc.StatePoint.ifp_results` method::
+
+    with openmc.StatePoint(output_path) as sp:
+        generation_time, beta_eff = sp.get_kinetics_parameters()
+
 .. only:: html
 
    .. rubric:: References
@@ -107,4 +130,4 @@ for ``ifp-denominator``:
     of the Iterated Fission Probability Method in OpenMC to Compute Adjoint-Weighted
     Kinetics Parameters", International Conference on Mathematics and Computational
     Methods Applied to Nuclear Science and Engineering (M&C 2025), Denver, April 27-30,
-    2025 (to be presented).
+    2025.
diff --git a/openmc/model/model.py b/openmc/model/model.py
index 59e6fa511..c1ffafafd 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -1,7 +1,7 @@
 from __future__ import annotations
 from collections.abc import Iterable, Sequence
 import copy
-from functools import lru_cache
+from functools import cache
 from pathlib import Path
 import math
 from numbers import Integral, Real
@@ -160,7 +160,7 @@ class Model:
             return False
 
     @property
-    @lru_cache(maxsize=None)
+    @cache
     def _materials_by_id(self) -> dict:
         """Dictionary mapping material ID --> material"""
         if self.materials:
@@ -170,14 +170,14 @@ class Model:
         return {mat.id: mat for mat in mats}
 
     @property
-    @lru_cache(maxsize=None)
+    @cache
     def _cells_by_id(self) -> dict:
         """Dictionary mapping cell ID --> cell"""
         cells = self.geometry.get_all_cells()
         return {cell.id: cell for cell in cells.values()}
 
     @property
-    @lru_cache(maxsize=None)
+    @cache
     def _cells_by_name(self) -> dict[int, openmc.Cell]:
         # Get the names maps, but since names are not unique, store a set for
         # each name key. In this way when the user requests a change by a name,
@@ -190,7 +190,7 @@ class Model:
         return result
 
     @property
-    @lru_cache(maxsize=None)
+    @cache
     def _materials_by_name(self) -> dict[int, openmc.Material]:
         if self.materials is None:
             mats = self.geometry.get_all_materials().values()
@@ -203,6 +203,37 @@ class Model:
             result[mat.name].add(mat)
         return result
 
+    def add_kinetics_parameters_tallies(self, num_groups: int | None = None):
+        """Add tallies for calculating kinetics parameters using the IFP method.
+
+        This method adds tallies to the model for calculating two kinetics
+        parameters, the generation time and the effective delayed neutron
+        fraction (beta effective). After a model is run, these parameters can be
+        determined through the :meth:`openmc.StatePoint.ifp_results` method.
+
+        Parameters
+        ----------
+        num_groups : int, optional
+            Number of precursor groups to filter the delayed neutron fraction.
+            If None, only the total effective delayed neutron fraction is
+            tallied.
+
+        """
+        if not any('ifp-time-numerator' in t.scores for t in self.tallies):
+            gen_time_tally = openmc.Tally(name='IFP time numerator')
+            gen_time_tally.scores = ['ifp-time-numerator']
+            self.tallies.append(gen_time_tally)
+        if not any('ifp-beta-numerator' in t.scores for t in self.tallies):
+            beta_tally = openmc.Tally(name='IFP beta numerator')
+            beta_tally.scores = ['ifp-beta-numerator']
+            if num_groups is not None:
+                beta_tally.filters = [openmc.DelayedGroupFilter(list(range(1, num_groups + 1)))]
+            self.tallies.append(beta_tally)
+        if not any('ifp-denominator' in t.scores for t in self.tallies):
+            denom_tally = openmc.Tally(name='IFP denominator')
+            denom_tally.scores = ['ifp-denominator']
+            self.tallies.append(denom_tally)
+
     @classmethod
     def from_xml(
         cls,
diff --git a/openmc/statepoint.py b/openmc/statepoint.py
index 715becf48..29c11921c 100644
--- a/openmc/statepoint.py
+++ b/openmc/statepoint.py
@@ -1,4 +1,5 @@
 from datetime import datetime
+from collections import namedtuple
 import glob
 import re
 import os
@@ -8,6 +9,7 @@ import h5py
 import numpy as np
 from pathlib import Path
 from uncertainties import ufloat
+from uncertainties.unumpy import uarray
 
 import openmc
 import openmc.checkvalue as cv
@@ -15,6 +17,9 @@ import openmc.checkvalue as cv
 _VERSION_STATEPOINT = 18
 
 
+KineticsParameters = namedtuple("KineticsParameters", ["generation_time", "beta_effective"])
+
+
 class StatePoint:
     """State information on a simulation at a certain point in time (at the end
     of a given batch). Statepoints can be used to analyze tally results as well
@@ -710,3 +715,56 @@ class StatePoint:
                     tally_filter.paths = cell.paths
 
         self._summary = summary
+
+    def get_kinetics_parameters(self) -> KineticsParameters:
+        """Get kinetics parameters from IFP tallies.
+
+        This method searches the tallies in the statepoint for the tallies
+        required to compute kinetics parameters using the Iterated Fission
+        Probability (IFP) method.
+
+        Returns
+        -------
+        KineticsParameters
+            A named tuple containing the generation time and effective delayed
+            neutron fraction. If the necessary tallies for one or both
+            parameters are not found, that parameter is returned as None.
+
+        """
+
+        denom_tally = None
+        gen_time_tally = None
+        beta_tally = None
+        for tally in self.tallies.values():
+            if 'ifp-denominator' in tally.scores:
+                denom_tally = self.get_tally(scores=['ifp-denominator'])
+            if 'ifp-time-numerator' in tally.scores:
+                gen_time_tally = self.get_tally(scores=['ifp-time-numerator'])
+            if 'ifp-beta-numerator' in tally.scores:
+                beta_tally = self.get_tally(scores=['ifp-beta-numerator'])
+
+        if denom_tally is None:
+            return KineticsParameters(None, None)
+
+        def get_ufloat(tally, score):
+            return uarray(tally.get_values(scores=[score]),
+                          tally.get_values(scores=[score], value='std_dev'))
+
+        denom_values = get_ufloat(denom_tally, 'ifp-denominator')
+        if gen_time_tally is None:
+            generation_time = None
+        else:
+            gen_time_values = get_ufloat(gen_time_tally, 'ifp-time-numerator')
+            gen_time_values /= denom_values*self.keff
+            generation_time = gen_time_values.flatten()[0]
+
+        if beta_tally is None:
+            beta_effective = None
+        else:
+            beta_values = get_ufloat(beta_tally, 'ifp-beta-numerator')
+            beta_values /= denom_values
+            beta_effective = beta_values.flatten()
+            if beta_effective.size == 1:
+                beta_effective = beta_effective[0]
+
+        return KineticsParameters(generation_time, beta_effective)
diff --git a/src/tallies/tally.cpp b/src/tallies/tally.cpp
index ae0bffe6e..b9c615ecb 100644
--- a/src/tallies/tally.cpp
+++ b/src/tallies/tally.cpp
@@ -560,7 +560,8 @@ void Tally::set_scores(const vector<std::string>& scores)
     // Make sure a delayed group filter wasn't used with an incompatible
     // score.
     if (delayedgroup_filter_ != C_NONE) {
-      if (score_str != "delayed-nu-fission" && score_str != "decay-rate")
+      if (score_str != "delayed-nu-fission" && score_str != "decay-rate" &&
+          score_str != "ifp-beta-numerator")
         fatal_error("Cannot tally " + score_str + "with a delayedgroup filter");
     }
 
diff --git a/src/tallies/tally_scoring.cpp b/src/tallies/tally_scoring.cpp
index 0df80a239..67e851644 100644
--- a/src/tallies/tally_scoring.cpp
+++ b/src/tallies/tally_scoring.cpp
@@ -964,6 +964,15 @@ void score_general_ce_nonanalog(Particle& p, int i_tally, int start_index,
             if (delayed_groups.size() == settings::ifp_n_generation) {
               if (delayed_groups[0] > 0) {
                 score = p.wgt_last();
+                if (tally.delayedgroup_filter_ != C_NONE) {
+                  auto i_dg_filt = tally.filters()[tally.delayedgroup_filter_];
+                  const DelayedGroupFilter& filt {
+                    *dynamic_cast<DelayedGroupFilter*>(
+                      model::tally_filters[i_dg_filt].get())};
+                  score_fission_delayed_dg(i_tally, delayed_groups[0] - 1,
+                    score, score_index, p.filter_matches());
+                  continue;
+                }
               }
             }
           }
diff --git a/tests/regression_tests/ifp/groupwise/__init__.py b/tests/regression_tests/ifp/groupwise/__init__.py
new file mode 100644
index 000000000..e69de29bb
diff --git a/tests/regression_tests/ifp/groupwise/inputs_true.dat b/tests/regression_tests/ifp/groupwise/inputs_true.dat
new file mode 100644
index 000000000..6d7e20717
--- /dev/null
+++ b/tests/regression_tests/ifp/groupwise/inputs_true.dat
@@ -0,0 +1,43 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material id="1" name="core" depletable="true">
+      <density value="16.0" units="g/cm3"/>
+      <nuclide name="U235" ao="1.0"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="-1" universe="1"/>
+    <surface id="1" type="sphere" boundary="vacuum" coeffs="0.0 0.0 0.0 10.0"/>
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>1000</particles>
+    <batches>20</batches>
+    <inactive>5</inactive>
+    <source type="independent" strength="1.0" particle="neutron">
+      <space type="box">
+        <parameters>-10.0 -10.0 -10.0 10.0 10.0 10.0</parameters>
+      </space>
+      <constraints>
+        <fissionable>true</fissionable>
+      </constraints>
+    </source>
+    <ifp_n_generation>5</ifp_n_generation>
+  </settings>
+  <tallies>
+    <filter id="1" type="delayedgroup">
+      <bins>1 2 3 4 5 6</bins>
+    </filter>
+    <tally id="1" name="IFP time numerator">
+      <scores>ifp-time-numerator</scores>
+    </tally>
+    <tally id="2" name="IFP beta numerator">
+      <filters>1</filters>
+      <scores>ifp-beta-numerator</scores>
+    </tally>
+    <tally id="3" name="IFP denominator">
+      <scores>ifp-denominator</scores>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/ifp/groupwise/results_true.dat b/tests/regression_tests/ifp/groupwise/results_true.dat
new file mode 100644
index 000000000..ea66a8de3
--- /dev/null
+++ b/tests/regression_tests/ifp/groupwise/results_true.dat
@@ -0,0 +1,21 @@
+k-combined:
+1.006559E+00 5.389391E-03
+tally 1:
+9.109384E-08
+5.667165E-16
+tally 2:
+3.000000E-03
+9.000000E-06
+0.000000E+00
+0.000000E+00
+2.100000E-02
+1.370000E-04
+2.800000E-02
+2.220000E-04
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+tally 3:
+1.489000E+01
+1.480036E+01
diff --git a/tests/regression_tests/ifp/groupwise/test.py b/tests/regression_tests/ifp/groupwise/test.py
new file mode 100644
index 000000000..a1a0ebefb
--- /dev/null
+++ b/tests/regression_tests/ifp/groupwise/test.py
@@ -0,0 +1,40 @@
+"""Test the Iterated Fission Probability (IFP) method to compute adjoint-weighted
+kinetics parameters using dedicated tallies."""
+
+import openmc
+import pytest
+
+from tests.testing_harness import PyAPITestHarness
+
+@pytest.fixture()
+def ifp_model():
+    # Material
+    material = openmc.Material(name="core")
+    material.add_nuclide("U235", 1.0)
+    material.set_density('g/cm3', 16.0)
+
+    # Geometry
+    radius = 10.0
+    sphere = openmc.Sphere(r=radius, boundary_type="vacuum")
+    cell = openmc.Cell(region=-sphere, fill=material)
+    geometry = openmc.Geometry([cell])
+
+    # Settings
+    settings = openmc.Settings()
+    settings.particles = 1000
+    settings.batches = 20
+    settings.inactive = 5
+    settings.ifp_n_generation = 5
+
+    model = openmc.Model(settings=settings, geometry=geometry)
+
+    space = openmc.stats.Box(*cell.bounding_box)
+    model.settings.source = openmc.IndependentSource(
+        space=space, constraints={'fissionable': True})
+    model.add_kinetics_parameters_tallies(num_groups=6)
+    return model
+
+
+def test_iterated_fission_probability(ifp_model):
+    harness = PyAPITestHarness("statepoint.20.h5", model=ifp_model)
+    harness.main()
diff --git a/tests/regression_tests/ifp/total/__init__.py b/tests/regression_tests/ifp/total/__init__.py
new file mode 100644
index 000000000..e69de29bb
diff --git a/tests/regression_tests/ifp/inputs_true.dat b/tests/regression_tests/ifp/total/inputs_true.dat
similarity index 100%
rename from tests/regression_tests/ifp/inputs_true.dat
rename to tests/regression_tests/ifp/total/inputs_true.dat
diff --git a/tests/regression_tests/ifp/results_true.dat b/tests/regression_tests/ifp/total/results_true.dat
similarity index 100%
rename from tests/regression_tests/ifp/results_true.dat
rename to tests/regression_tests/ifp/total/results_true.dat
diff --git a/tests/regression_tests/ifp/test.py b/tests/regression_tests/ifp/total/test.py
similarity index 99%
rename from tests/regression_tests/ifp/test.py
rename to tests/regression_tests/ifp/total/test.py
index 6969a54c4..18b89cfc0 100644
--- a/tests/regression_tests/ifp/test.py
+++ b/tests/regression_tests/ifp/total/test.py
@@ -6,7 +6,6 @@ import pytest
 
 from tests.testing_harness import PyAPITestHarness
 
-
 @pytest.fixture()
 def ifp_model():
     model = openmc.Model()
diff --git a/tests/unit_tests/test_ifp.py b/tests/unit_tests/test_ifp.py
index 8d0fd9801..e527f1624 100644
--- a/tests/unit_tests/test_ifp.py
+++ b/tests/unit_tests/test_ifp.py
@@ -47,3 +47,42 @@ def test_exceptions(options, error, run_in_tmpdir, geometry):
         tallies = openmc.Tallies([tally])
         model = openmc.Model(geometry=geometry, settings=settings, tallies=tallies)
         model.run()
+
+
+@pytest.mark.parametrize(
+    "num_groups, use_auto_tallies",
+    [
+        (None, True),
+        (None, False),
+        (6, True),
+        (6, False),
+    ],
+)
+def test_get_kinetics_parameters(run_in_tmpdir, geometry, num_groups, use_auto_tallies):
+    # Create basic model
+    model = openmc.Model(geometry=geometry)
+    model.settings.particles = 1000
+    model.settings.batches = 20
+    model.settings.inactive = 5
+    model.settings.ifp_n_generation = 5
+
+    # Add IFP tallies either via the convenience method or manually
+    if use_auto_tallies:
+        model.add_kinetics_parameters_tallies(num_groups=num_groups)
+    else:
+        for score in ["ifp-time-numerator", "ifp-beta-numerator", "ifp-denominator"]:
+            tally = openmc.Tally()
+            tally.scores = [score]
+            if score == "ifp-beta-numerator" and num_groups is not None:
+                tally.filters = [openmc.DelayedGroupFilter(list(range(1, num_groups + 1)))]
+            model.tallies.append(tally)
+
+    # Run and get kinetics parameters
+    sp_file = model.run()
+    with openmc.StatePoint(sp_file) as sp:
+        params = sp.get_kinetics_parameters()
+    assert isinstance(params, openmc.KineticsParameters)
+    assert params.generation_time is not None
+    assert params.beta_effective is not None
+    if num_groups is not None:
+        assert len(params.beta_effective) == num_groups

From 4011b7a5515e4098f179d825313f574680d3a68f Mon Sep 17 00:00:00 2001
From: Perry <100789850+yrrepy@users.noreply.github.com>
Date: Fri, 26 Sep 2025 09:46:23 -0700
Subject: [PATCH 2400/2654] Optional separation of mesh-material-volume calc
 from get_homogenized_materials (#3581)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/mesh.py | 13 ++++++++++---
 1 file changed, 10 insertions(+), 3 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 2e9abd1b6..9601207e9 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -287,6 +287,7 @@ class MeshBase(IDManagerMixin, ABC):
             model: openmc.Model,
             n_samples: int | tuple[int, int, int] = 10_000,
             include_void: bool = True,
+            material_volumes: MeshMaterialVolumes | None = None,
             **kwargs
     ) -> list[openmc.Material]:
         """Generate homogenized materials over each element in a mesh.
@@ -305,8 +306,12 @@ class MeshBase(IDManagerMixin, ABC):
             the x, y, and z dimensions.
         include_void : bool, optional
             Whether homogenization should include voids.
+        material_volumes : MeshMaterialVolumes, optional
+            Previously computed mesh material volumes to use for homogenization.
+            If not provided, they will be computed by calling
+            :meth:`material_volumes`.
         **kwargs
-            Keyword-arguments passed to :meth:`MeshBase.material_volumes`.
+            Keyword-arguments passed to :meth:`material_volumes`.
 
         Returns
         -------
@@ -314,7 +319,10 @@ class MeshBase(IDManagerMixin, ABC):
             Homogenized material in each mesh element
 
         """
-        vols = self.material_volumes(model, n_samples, **kwargs)
+        if material_volumes is None:
+            vols = self.material_volumes(model, n_samples, **kwargs)
+        else:
+            vols = material_volumes
         mat_volume_by_element = [vols.by_element(i) for i in range(vols.num_elements)]
 
         # Create homogenized material for each element
@@ -424,7 +432,6 @@ class MeshBase(IDManagerMixin, ABC):
 
         # Restore original tallies
         model.tallies = original_tallies
-
         return volumes
 
 

From feefcc671307fc84e7357430f5f07343503919e5 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Wed, 1 Oct 2025 00:09:15 +0200
Subject: [PATCH 2401/2654] Adding tally filter type option to statepoint
 get_tally (#3584)

Co-authored-by: Jon Shimwell <jon@proximafusion.com>
Co-authored-by: GuySten <62616591+GuySten@users.noreply.github.com>
---
 openmc/statepoint.py                |  9 +++-
 tests/unit_tests/test_statepoint.py | 65 +++++++++++++++++++++++++++++
 2 files changed, 73 insertions(+), 1 deletion(-)
 create mode 100644 tests/unit_tests/test_statepoint.py

diff --git a/openmc/statepoint.py b/openmc/statepoint.py
index 29c11921c..a763db397 100644
--- a/openmc/statepoint.py
+++ b/openmc/statepoint.py
@@ -536,7 +536,7 @@ class StatePoint:
     def get_tally(self, scores=[], filters=[], nuclides=[],
                   name=None, id=None, estimator=None, exact_filters=False,
                   exact_nuclides=False, exact_scores=False,
-                  multiply_density=None, derivative=None):
+                  multiply_density=None, derivative=None, filter_type=None):
         """Finds and returns a Tally object with certain properties.
 
         This routine searches the list of Tallies and returns the first Tally
@@ -580,6 +580,9 @@ class StatePoint:
             to the same value as this parameter.
         derivative : openmc.TallyDerivative, optional
             TallyDerivative object to match.
+        filter_type : type, optional
+            If not None, the Tally must have at least one Filter that is an
+            instance of this type. For example `openmc.MeshFilter`.
 
         Returns
         -------
@@ -653,6 +656,10 @@ class StatePoint:
                 if not contains_filters:
                     continue
 
+            if filter_type is not None:
+                if not any(isinstance(f, filter_type) for f in test_tally.filters):
+                    continue
+
             # Determine if Tally has the queried Nuclide(s)
             if nuclides:
                 if not all(nuclide in test_tally.nuclides for nuclide in nuclides):
diff --git a/tests/unit_tests/test_statepoint.py b/tests/unit_tests/test_statepoint.py
new file mode 100644
index 000000000..7ffaf7ec2
--- /dev/null
+++ b/tests/unit_tests/test_statepoint.py
@@ -0,0 +1,65 @@
+import openmc
+
+
+def test_get_tally_filter_type(run_in_tmpdir):
+    """Test various ways of retrieving tallies from a StatePoint object."""
+
+    mat = openmc.Material()
+    mat.add_nuclide("H1", 1.0)
+    mat.set_density("g/cm3", 10.0)
+
+    sphere = openmc.Sphere(r=10.0, boundary_type="vacuum")
+    cell = openmc.Cell(fill=mat, region=-sphere)
+    geometry = openmc.Geometry([cell])
+
+    settings = openmc.Settings()
+    settings.particles = 10
+    settings.batches = 2
+    settings.run_mode = "fixed source"
+
+    reg_mesh = openmc.RegularMesh().from_domain(cell)
+    tally1 = openmc.Tally(tally_id=1)
+    mesh_filter = openmc.MeshFilter(reg_mesh)
+    tally1.filters = [mesh_filter]
+    tally1.scores = ["flux"]
+
+    tally2 = openmc.Tally(tally_id=2, name="heating tally")
+    cell_filter = openmc.CellFilter(cell)
+    tally2.filters = [cell_filter]
+    tally2.scores = ["heating"]
+
+    tallies = openmc.Tallies([tally1, tally2])
+    model = openmc.Model(
+        geometry=geometry, materials=[mat], settings=settings, tallies=tallies
+    )
+
+    sp_filename = model.run()
+
+    sp = openmc.StatePoint(sp_filename)
+
+    tally_found = sp.get_tally(filter_type=openmc.MeshFilter)
+    assert tally_found.id == 1
+
+    tally_found = sp.get_tally(filter_type=openmc.CellFilter)
+    assert tally_found.id == 2
+
+    tally_found = sp.get_tally(filters=[mesh_filter])
+    assert tally_found.id == 1
+
+    tally_found = sp.get_tally(filters=[cell_filter])
+    assert tally_found.id == 2
+
+    tally_found = sp.get_tally(scores=["heating"])
+    assert tally_found.id == 2
+
+    tally_found = sp.get_tally(name="heating tally")
+    assert tally_found.id == 2
+
+    tally_found = sp.get_tally(name=None)
+    assert tally_found.id == 1
+
+    tally_found = sp.get_tally(id=1)
+    assert tally_found.id == 1
+
+    tally_found = sp.get_tally(id=2)
+    assert tally_found.id == 2

From 3ac64d9a01d8d10ff126d62d8a9f618fbd803f4b Mon Sep 17 00:00:00 2001
From: John Tramm <john.tramm@gmail.com>
Date: Thu, 2 Oct 2025 11:02:43 -0500
Subject: [PATCH 2402/2654] Random Ray Base Source Region Refactor (#3576)

---
 include/openmc/constants.h                    |   5 +
 .../openmc/random_ray/flat_source_domain.h    |  47 ++-
 .../openmc/random_ray/linear_source_domain.h  |   2 +-
 include/openmc/random_ray/random_ray.h        |   1 -
 .../openmc/random_ray/random_ray_simulation.h |   9 +-
 include/openmc/random_ray/source_region.h     |   1 -
 src/random_ray/flat_source_domain.cpp         | 373 ++++++++++--------
 src/random_ray/linear_source_domain.cpp       |  47 +--
 src/random_ray/random_ray.cpp                 | 121 +++---
 src/random_ray/random_ray_simulation.cpp      | 190 ++++-----
 src/random_ray/source_region.cpp              |  28 +-
 src/settings.cpp                              |   1 -
 .../random_ray_low_density/__init__.py        |   0
 .../random_ray_low_density/inputs_true.dat    | 244 ++++++++++++
 .../random_ray_low_density/results_true.dat   |   9 +
 .../random_ray_low_density/test.py            |  60 +++
 .../results_true.dat                          |   8 +-
 17 files changed, 700 insertions(+), 446 deletions(-)
 create mode 100644 tests/regression_tests/random_ray_low_density/__init__.py
 create mode 100644 tests/regression_tests/random_ray_low_density/inputs_true.dat
 create mode 100644 tests/regression_tests/random_ray_low_density/results_true.dat
 create mode 100644 tests/regression_tests/random_ray_low_density/test.py

diff --git a/include/openmc/constants.h b/include/openmc/constants.h
index df13da370..a0d164613 100644
--- a/include/openmc/constants.h
+++ b/include/openmc/constants.h
@@ -68,6 +68,11 @@ constexpr double MIN_HITS_PER_BATCH {1.5};
 // prevent extremely large adjoint source terms from being generated.
 constexpr double ZERO_FLUX_CUTOFF {1e-22};
 
+// The minimum macroscopic cross section value considered non-void for the
+// random ray solver. Materials with any group with a cross section below this
+// value will be converted to pure void.
+constexpr double MINIMUM_MACRO_XS {1e-6};
+
 // ============================================================================
 // MATH AND PHYSICAL CONSTANTS
 
diff --git a/include/openmc/random_ray/flat_source_domain.h b/include/openmc/random_ray/flat_source_domain.h
index 78351fcc5..d4e802734 100644
--- a/include/openmc/random_ray/flat_source_domain.h
+++ b/include/openmc/random_ray/flat_source_domain.h
@@ -27,8 +27,9 @@ public:
 
   //----------------------------------------------------------------------------
   // Methods
-  virtual void update_neutron_source(double k_eff);
-  double compute_k_eff(double k_eff_old) const;
+  virtual void update_single_neutron_source(SourceRegionHandle& srh);
+  virtual void update_all_neutron_sources();
+  void compute_k_eff();
   virtual void normalize_scalar_flux_and_volumes(
     double total_active_distance_per_iteration);
 
@@ -41,7 +42,7 @@ public:
   void output_to_vtk() const;
   void convert_external_sources();
   void count_external_source_regions();
-  void set_adjoint_sources(const vector<double>& forward_flux);
+  void set_adjoint_sources();
   void flux_swap();
   virtual double evaluate_flux_at_point(Position r, int64_t sr, int g) const;
   double compute_fixed_source_normalization_factor() const;
@@ -54,9 +55,8 @@ public:
     bool is_target_void);
   void apply_mesh_to_cell_and_children(int32_t i_cell, int32_t mesh_idx,
     int32_t target_material_id, bool is_target_void);
-  void prepare_base_source_regions();
   SourceRegionHandle get_subdivided_source_region_handle(
-    int64_t sr, int mesh_bin, Position r, double dist, Direction u);
+    SourceRegionKey sr_key, Position r, Direction u);
   void finalize_discovered_source_regions();
   void apply_transport_stabilization();
   int64_t n_source_regions() const
@@ -67,6 +67,10 @@ public:
   {
     return source_regions_.n_source_regions() * negroups_;
   }
+  int64_t lookup_base_source_region_idx(const GeometryState& p) const;
+  SourceRegionKey lookup_source_region_key(const GeometryState& p) const;
+  int64_t lookup_mesh_bin(int64_t sr, Position r) const;
+  int lookup_mesh_idx(int64_t sr) const;
 
   //----------------------------------------------------------------------------
   // Static Data members
@@ -86,6 +90,7 @@ public:
 
   //----------------------------------------------------------------------------
   // Public Data members
+  double k_eff_ {1.0};              // Eigenvalue
   bool mapped_all_tallies_ {false}; // If all source regions have been visited
 
   int64_t n_external_source_regions_ {0}; // Total number of source regions with
@@ -110,14 +115,6 @@ public:
   // The abstract container holding all source region-specific data
   SourceRegionContainer source_regions_;
 
-  // Base source region container. When source region subdivision via mesh
-  // is in use, this container holds the original (non-subdivided) material
-  // filled cell instance source regions. These are useful as they can be
-  // initialized with external source and mesh domain information ahead of time.
-  // Then, dynamically discovered source regions can be initialized by cloning
-  // their base region.
-  SourceRegionContainer base_source_regions_;
-
   // Parallel hash map holding all source regions discovered during
   // a single iteration. This is a threadsafe data structure that is cleaned
   // out after each iteration and stored in the "source_regions_" container.
@@ -134,8 +131,17 @@ public:
   // Map that relates a SourceRegionKey to the external source index. This map
   // is used to check if there are any point sources within a subdivided source
   // region at the time it is discovered.
-  std::unordered_map<SourceRegionKey, int64_t, SourceRegionKey::HashFunctor>
-    point_source_map_;
+  std::unordered_map<SourceRegionKey, vector<int>, SourceRegionKey::HashFunctor>
+    external_point_source_map_;
+
+  // Map that relates a base source region index to the external source index.
+  // This map is used to check if there are any volumetric sources within a
+  // subdivided source region at the time it is discovered.
+  std::unordered_map<int64_t, vector<int>> external_volumetric_source_map_;
+
+  // Map that relates a base source region index to a mesh index. This map
+  // is used to check which subdivision mesh is present in a source region.
+  std::unordered_map<int64_t, int> mesh_map_;
 
   // If transport corrected MGXS data is being used, there may be negative
   // in-group scattering cross sections that can result in instability in MOC
@@ -147,12 +153,11 @@ protected:
   //----------------------------------------------------------------------------
   // Methods
   void apply_external_source_to_source_region(
-    Discrete* discrete, double strength_factor, SourceRegionHandle& srh);
-  void apply_external_source_to_cell_instances(int32_t i_cell,
-    Discrete* discrete, double strength_factor, int target_material_id,
-    const vector<int32_t>& instances);
-  void apply_external_source_to_cell_and_children(int32_t i_cell,
-    Discrete* discrete, double strength_factor, int32_t target_material_id);
+    int src_idx, SourceRegionHandle& srh);
+  void apply_external_source_to_cell_instances(int32_t i_cell, int src_idx,
+    int target_material_id, const vector<int32_t>& instances);
+  void apply_external_source_to_cell_and_children(
+    int32_t i_cell, int src_idx, int32_t target_material_id);
   virtual void set_flux_to_flux_plus_source(int64_t sr, double volume, int g);
   void set_flux_to_source(int64_t sr, int g);
   virtual void set_flux_to_old_flux(int64_t sr, int g);
diff --git a/include/openmc/random_ray/linear_source_domain.h b/include/openmc/random_ray/linear_source_domain.h
index 67fdd99f8..0098c7820 100644
--- a/include/openmc/random_ray/linear_source_domain.h
+++ b/include/openmc/random_ray/linear_source_domain.h
@@ -20,7 +20,7 @@ class LinearSourceDomain : public FlatSourceDomain {
 public:
   //----------------------------------------------------------------------------
   // Methods
-  void update_neutron_source(double k_eff) override;
+  void update_single_neutron_source(SourceRegionHandle& srh) override;
   void normalize_scalar_flux_and_volumes(
     double total_active_distance_per_iteration) override;
 
diff --git a/include/openmc/random_ray/random_ray.h b/include/openmc/random_ray/random_ray.h
index abf2a2688..40c67ef95 100644
--- a/include/openmc/random_ray/random_ray.h
+++ b/include/openmc/random_ray/random_ray.h
@@ -48,7 +48,6 @@ public:
   static double distance_active_;            // Active ray length
   static unique_ptr<Source> ray_source_;     // Starting source for ray sampling
   static RandomRaySourceShape source_shape_; // Flag for linear source
-  static bool mesh_subdivision_enabled_;     // Flag for mesh subdivision
   static RandomRaySampleMethod sample_method_; // Flag for sampling method
 
   //----------------------------------------------------------------------------
diff --git a/include/openmc/random_ray/random_ray_simulation.h b/include/openmc/random_ray/random_ray_simulation.h
index b94e7401b..3dec48bf2 100644
--- a/include/openmc/random_ray/random_ray_simulation.h
+++ b/include/openmc/random_ray/random_ray_simulation.h
@@ -21,11 +21,7 @@ public:
   // Methods
   void compute_segment_correction_factors();
   void apply_fixed_sources_and_mesh_domains();
-  void prepare_fixed_sources_adjoint(vector<double>& forward_flux,
-    SourceRegionContainer& forward_source_regions,
-    SourceRegionContainer& forward_base_source_regions,
-    std::unordered_map<SourceRegionKey, int64_t, SourceRegionKey::HashFunctor>&
-      forward_source_region_map);
+  void prepare_fixed_sources_adjoint();
   void simulate();
   void output_simulation_results() const;
   void instability_check(
@@ -45,9 +41,6 @@ private:
   // Contains all flat source region data
   unique_ptr<FlatSourceDomain> domain_;
 
-  // Random ray eigenvalue
-  double k_eff_ {1.0};
-
   // Tracks the average FSR miss rate for analysis and reporting
   double avg_miss_rate_ {0.0};
 
diff --git a/include/openmc/random_ray/source_region.h b/include/openmc/random_ray/source_region.h
index 5c5b31f39..0f5a747ff 100644
--- a/include/openmc/random_ray/source_region.h
+++ b/include/openmc/random_ray/source_region.h
@@ -308,7 +308,6 @@ public:
   //----------------------------------------------------------------------------
   // Constructors
   SourceRegion(int negroups, bool is_linear);
-  SourceRegion(const SourceRegionHandle& handle, int64_t parent_sr);
   SourceRegion() = default;
 
   //----------------------------------------------------------------------------
diff --git a/src/random_ray/flat_source_domain.cpp b/src/random_ray/flat_source_domain.cpp
index 409238830..1bf27e1ed 100644
--- a/src/random_ray/flat_source_domain.cpp
+++ b/src/random_ray/flat_source_domain.cpp
@@ -53,24 +53,6 @@ FlatSourceDomain::FlatSourceDomain() : negroups_(data::mg.num_energy_groups_)
   // Initialize source regions.
   bool is_linear = RandomRay::source_shape_ != RandomRaySourceShape::FLAT;
   source_regions_ = SourceRegionContainer(negroups_, is_linear);
-  source_regions_.assign(
-    base_source_regions, SourceRegion(negroups_, is_linear));
-
-  // Initialize materials
-  int64_t source_region_id = 0;
-  for (int i = 0; i < model::cells.size(); i++) {
-    Cell& cell = *model::cells[i];
-    if (cell.type_ == Fill::MATERIAL) {
-      for (int j = 0; j < cell.n_instances(); j++) {
-        source_regions_.material(source_region_id++) = cell.material(j);
-      }
-    }
-  }
-
-  // Sanity check
-  if (source_region_id != base_source_regions) {
-    fatal_error("Unexpected number of source regions");
-  }
 
   // Initialize tally volumes
   if (volume_normalized_flux_tallies_) {
@@ -118,34 +100,24 @@ void FlatSourceDomain::accumulate_iteration_flux()
   }
 }
 
-// Compute new estimate of scattering + fission sources in each source region
-// based on the flux estimate from the previous iteration.
-void FlatSourceDomain::update_neutron_source(double k_eff)
+void FlatSourceDomain::update_single_neutron_source(SourceRegionHandle& srh)
 {
-  simulation::time_update_src.start();
-
-  double inverse_k_eff = 1.0 / k_eff;
-
-// Reset all source regions to zero (important for void regions)
-#pragma omp parallel for
-  for (int64_t se = 0; se < n_source_elements(); se++) {
-    source_regions_.source(se) = 0.0;
+  // Reset all source regions to zero (important for void regions)
+  for (int g = 0; g < negroups_; g++) {
+    srh.source(g) = 0.0;
   }
 
   // Add scattering + fission source
-#pragma omp parallel for
-  for (int64_t sr = 0; sr < n_source_regions(); sr++) {
-    int material = source_regions_.material(sr);
-    if (material == MATERIAL_VOID) {
-      continue;
-    }
+  int material = srh.material();
+  if (material != MATERIAL_VOID) {
+    double inverse_k_eff = 1.0 / k_eff_;
     for (int g_out = 0; g_out < negroups_; g_out++) {
       double sigma_t = sigma_t_[material * negroups_ + g_out];
       double scatter_source = 0.0;
       double fission_source = 0.0;
 
       for (int g_in = 0; g_in < negroups_; g_in++) {
-        double scalar_flux = source_regions_.scalar_flux_old(sr, g_in);
+        double scalar_flux = srh.scalar_flux_old(g_in);
         double sigma_s =
           sigma_s_[material * negroups_ * negroups_ + g_out * negroups_ + g_in];
         double nu_sigma_f = nu_sigma_f_[material * negroups_ + g_in];
@@ -154,18 +126,30 @@ void FlatSourceDomain::update_neutron_source(double k_eff)
         scatter_source += sigma_s * scalar_flux;
         fission_source += nu_sigma_f * scalar_flux * chi;
       }
-      source_regions_.source(sr, g_out) =
+      srh.source(g_out) =
         (scatter_source + fission_source * inverse_k_eff) / sigma_t;
     }
   }
 
   // Add external source if in fixed source mode
   if (settings::run_mode == RunMode::FIXED_SOURCE) {
-#pragma omp parallel for
-    for (int64_t se = 0; se < n_source_elements(); se++) {
-      source_regions_.source(se) += source_regions_.external_source(se);
+    for (int g = 0; g < negroups_; g++) {
+      srh.source(g) += srh.external_source(g);
     }
   }
+}
+
+// Compute new estimate of scattering + fission sources in each source region
+// based on the flux estimate from the previous iteration.
+void FlatSourceDomain::update_all_neutron_sources()
+{
+  simulation::time_update_src.start();
+
+#pragma omp parallel for
+  for (int64_t sr = 0; sr < n_source_regions(); sr++) {
+    SourceRegionHandle srh = source_regions_.get_source_region_handle(sr);
+    update_single_neutron_source(srh);
+  }
 
   simulation::time_update_src.stop();
 }
@@ -320,7 +304,7 @@ int64_t FlatSourceDomain::add_source_to_scalar_flux()
 
 // Generates new estimate of k_eff based on the differences between this
 // iteration's estimate of the scalar flux and the last iteration's estimate.
-double FlatSourceDomain::compute_k_eff(double k_eff_old) const
+void FlatSourceDomain::compute_k_eff()
 {
   double fission_rate_old = 0;
   double fission_rate_new = 0;
@@ -365,7 +349,7 @@ double FlatSourceDomain::compute_k_eff(double k_eff_old) const
     p[sr] = sr_fission_source_new;
   }
 
-  double k_eff_new = k_eff_old * (fission_rate_new / fission_rate_old);
+  double k_eff_new = k_eff_ * (fission_rate_new / fission_rate_old);
 
   double H = 0.0;
   // defining an inverse sum for better performance
@@ -385,7 +369,7 @@ double FlatSourceDomain::compute_k_eff(double k_eff_old) const
   // Adds entropy value to shared entropy vector in openmc namespace.
   simulation::entropy.push_back(H);
 
-  return k_eff_new;
+  k_eff_ = k_eff_new;
 }
 
 // This function is responsible for generating a mapping between random
@@ -652,7 +636,6 @@ void FlatSourceDomain::random_ray_tally()
                       "random ray mode.");
           break;
         }
-
         // Apply score to the appropriate tally bin
         Tally& tally {*model::tallies[task.tally_idx]};
 #pragma omp atomic
@@ -726,21 +709,21 @@ void FlatSourceDomain::output_to_vtk() const
   print_plot();
 
   // Outer loop over plots
-  for (int p = 0; p < model::plots.size(); p++) {
+  for (int plt = 0; plt < model::plots.size(); plt++) {
 
     // Get handle to OpenMC plot object and extract params
-    Plot* openmc_plot = dynamic_cast<Plot*>(model::plots[p].get());
+    Plot* openmc_plot = dynamic_cast<Plot*>(model::plots[plt].get());
 
     // Random ray plots only support voxel plots
     if (!openmc_plot) {
       warning(fmt::format("Plot {} is invalid plot type -- only voxel plotting "
                           "is allowed in random ray mode.",
-        p));
+        plt));
       continue;
     } else if (openmc_plot->type_ != Plot::PlotType::voxel) {
       warning(fmt::format("Plot {} is invalid plot type -- only voxel plotting "
                           "is allowed in random ray mode.",
-        p));
+        plt));
       continue;
     }
 
@@ -794,23 +777,11 @@ void FlatSourceDomain::output_to_vtk() const
             continue;
           }
 
-          int i_cell = p.lowest_coord().cell();
-          int64_t sr = source_region_offsets_[i_cell] + p.cell_instance();
-          if (RandomRay::mesh_subdivision_enabled_) {
-            int mesh_idx = base_source_regions_.mesh(sr);
-            int mesh_bin;
-            if (mesh_idx == C_NONE) {
-              mesh_bin = 0;
-            } else {
-              mesh_bin = model::meshes[mesh_idx]->get_bin(p.r());
-            }
-            SourceRegionKey sr_key {sr, mesh_bin};
-            auto it = source_region_map_.find(sr_key);
-            if (it != source_region_map_.end()) {
-              sr = it->second;
-            } else {
-              sr = -1;
-            }
+          SourceRegionKey sr_key = lookup_source_region_key(p);
+          int64_t sr = -1;
+          auto it = source_region_map_.find(sr_key);
+          if (it != source_region_map_.end()) {
+            sr = it->second;
           }
 
           voxel_indices[z * Ny * Nx + y * Nx + x] = sr;
@@ -967,13 +938,17 @@ void FlatSourceDomain::output_to_vtk() const
 }
 
 void FlatSourceDomain::apply_external_source_to_source_region(
-  Discrete* discrete, double strength_factor, SourceRegionHandle& srh)
+  int src_idx, SourceRegionHandle& srh)
 {
-  srh.external_source_present() = 1;
-
+  auto s = model::external_sources[src_idx].get();
+  auto is = dynamic_cast<IndependentSource*>(s);
+  auto discrete = dynamic_cast<Discrete*>(is->energy());
+  double strength_factor = is->strength();
   const auto& discrete_energies = discrete->x();
   const auto& discrete_probs = discrete->prob();
 
+  srh.external_source_present() = 1;
+
   for (int i = 0; i < discrete_energies.size(); i++) {
     int g = data::mg.get_group_index(discrete_energies[i]);
     srh.external_source(g) += discrete_probs[i] * strength_factor;
@@ -981,8 +956,7 @@ void FlatSourceDomain::apply_external_source_to_source_region(
 }
 
 void FlatSourceDomain::apply_external_source_to_cell_instances(int32_t i_cell,
-  Discrete* discrete, double strength_factor, int target_material_id,
-  const vector<int32_t>& instances)
+  int src_idx, int target_material_id, const vector<int32_t>& instances)
 {
   Cell& cell = *model::cells[i_cell];
 
@@ -1000,16 +974,13 @@ void FlatSourceDomain::apply_external_source_to_cell_instances(int32_t i_cell,
     if (target_material_id == C_NONE ||
         cell_material_id == target_material_id) {
       int64_t source_region = source_region_offsets_[i_cell] + j;
-      SourceRegionHandle srh =
-        source_regions_.get_source_region_handle(source_region);
-      apply_external_source_to_source_region(discrete, strength_factor, srh);
+      external_volumetric_source_map_[source_region].push_back(src_idx);
     }
   }
 }
 
 void FlatSourceDomain::apply_external_source_to_cell_and_children(
-  int32_t i_cell, Discrete* discrete, double strength_factor,
-  int32_t target_material_id)
+  int32_t i_cell, int src_idx, int32_t target_material_id)
 {
   Cell& cell = *model::cells[i_cell];
 
@@ -1017,14 +988,14 @@ void FlatSourceDomain::apply_external_source_to_cell_and_children(
     vector<int> instances(cell.n_instances());
     std::iota(instances.begin(), instances.end(), 0);
     apply_external_source_to_cell_instances(
-      i_cell, discrete, strength_factor, target_material_id, instances);
+      i_cell, src_idx, target_material_id, instances);
   } else if (target_material_id == C_NONE) {
     std::unordered_map<int32_t, vector<int32_t>> cell_instance_list =
       cell.get_contained_cells(0, nullptr);
     for (const auto& pair : cell_instance_list) {
       int32_t i_child_cell = pair.first;
-      apply_external_source_to_cell_instances(i_child_cell, discrete,
-        strength_factor, target_material_id, pair.second);
+      apply_external_source_to_cell_instances(
+        i_child_cell, src_idx, target_material_id, pair.second);
     }
   }
 }
@@ -1070,36 +1041,17 @@ void FlatSourceDomain::convert_external_sources()
                                 "point source at {}",
           sp->r()));
       }
-      int i_cell = gs.lowest_coord().cell();
-      int64_t sr = source_region_offsets_[i_cell] + gs.cell_instance();
+      SourceRegionKey key = lookup_source_region_key(gs);
 
-      if (RandomRay::mesh_subdivision_enabled_) {
-        // If mesh subdivision is enabled, we need to determine which subdivided
-        // mesh bin the point source coordinate is in as well
-        int mesh_idx = source_regions_.mesh(sr);
-        int mesh_bin;
-        if (mesh_idx == C_NONE) {
-          mesh_bin = 0;
-        } else {
-          mesh_bin = model::meshes[mesh_idx]->get_bin(gs.r());
-        }
-        // With the source region and mesh bin known, we can use the
-        // accompanying SourceRegionKey as a key into a map that stores the
-        // corresponding external source index for the point source. Notably, we
-        // do not actually apply the external source to any source regions here,
-        // as if mesh subdivision is enabled, they haven't actually been
-        // discovered & initilized yet. When discovered, they will read from the
-        // point_source_map to determine if there are any point source terms
-        // that should be applied.
-        SourceRegionKey key {sr, mesh_bin};
-        point_source_map_[key] = es;
-      } else {
-        // If we are not using mesh subdivision, we can apply the external
-        // source directly to the source region as we do for volumetric domain
-        // constraint sources.
-        SourceRegionHandle srh = source_regions_.get_source_region_handle(sr);
-        apply_external_source_to_source_region(energy, strength_factor, srh);
-      }
+      // With the source region and mesh bin known, we can use the
+      // accompanying SourceRegionKey as a key into a map that stores the
+      // corresponding external source index for the point source. Notably, we
+      // do not actually apply the external source to any source regions here,
+      // as if mesh subdivision is enabled, they haven't actually been
+      // discovered & initilized yet. When discovered, they will read from the
+      // external_source_map to determine if there are any external source
+      // terms that should be applied.
+      external_point_source_map_[key].push_back(es);
 
     } else {
       // If not a point source, then use the volumetric domain constraints to
@@ -1107,42 +1059,25 @@ void FlatSourceDomain::convert_external_sources()
       if (is->domain_type() == Source::DomainType::MATERIAL) {
         for (int32_t material_id : domain_ids) {
           for (int i_cell = 0; i_cell < model::cells.size(); i_cell++) {
-            apply_external_source_to_cell_and_children(
-              i_cell, energy, strength_factor, material_id);
+            apply_external_source_to_cell_and_children(i_cell, es, material_id);
           }
         }
       } else if (is->domain_type() == Source::DomainType::CELL) {
         for (int32_t cell_id : domain_ids) {
           int32_t i_cell = model::cell_map[cell_id];
-          apply_external_source_to_cell_and_children(
-            i_cell, energy, strength_factor, C_NONE);
+          apply_external_source_to_cell_and_children(i_cell, es, C_NONE);
         }
       } else if (is->domain_type() == Source::DomainType::UNIVERSE) {
         for (int32_t universe_id : domain_ids) {
           int32_t i_universe = model::universe_map[universe_id];
           Universe& universe = *model::universes[i_universe];
           for (int32_t i_cell : universe.cells_) {
-            apply_external_source_to_cell_and_children(
-              i_cell, energy, strength_factor, C_NONE);
+            apply_external_source_to_cell_and_children(i_cell, es, C_NONE);
           }
         }
       }
     }
   } // End loop over external sources
-
-// Divide the fixed source term by sigma t (to save time when applying each
-// iteration)
-#pragma omp parallel for
-  for (int64_t sr = 0; sr < n_source_regions(); sr++) {
-    int material = source_regions_.material(sr);
-    if (material == MATERIAL_VOID) {
-      continue;
-    }
-    for (int g = 0; g < negroups_; g++) {
-      double sigma_t = sigma_t_[material * negroups_ + g];
-      source_regions_.external_source(sr, g) /= sigma_t;
-    }
-  }
 }
 
 void FlatSourceDomain::flux_swap()
@@ -1159,13 +1094,23 @@ void FlatSourceDomain::flatten_xs()
   const int a = 0;
 
   n_materials_ = data::mg.macro_xs_.size();
-  for (auto& m : data::mg.macro_xs_) {
+  for (int i = 0; i < n_materials_; i++) {
+    auto& m = data::mg.macro_xs_[i];
     for (int g_out = 0; g_out < negroups_; g_out++) {
       if (m.exists_in_model) {
         double sigma_t =
           m.get_xs(MgxsType::TOTAL, g_out, NULL, NULL, NULL, t, a);
         sigma_t_.push_back(sigma_t);
 
+        if (sigma_t < MINIMUM_MACRO_XS) {
+          Material* mat = model::materials[i].get();
+          warning(fmt::format(
+            "Material \"{}\" (id: {}) has a group {} total cross section "
+            "({:.3e}) below the minimum threshold "
+            "({:.3e}). Material will be treated as pure void.",
+            mat->name(), mat->id(), g_out, sigma_t, MINIMUM_MACRO_XS));
+        }
+
         double nu_sigma_f =
           m.get_xs(MgxsType::NU_FISSION, g_out, NULL, NULL, NULL, t, a);
         nu_sigma_f_.push_back(nu_sigma_f);
@@ -1206,7 +1151,7 @@ void FlatSourceDomain::flatten_xs()
   }
 }
 
-void FlatSourceDomain::set_adjoint_sources(const vector<double>& forward_flux)
+void FlatSourceDomain::set_adjoint_sources()
 {
   // Set the adjoint external source to 1/forward_flux. If the forward flux is
   // negative, zero, or extremely close to zero, set the adjoint source to zero,
@@ -1220,7 +1165,7 @@ void FlatSourceDomain::set_adjoint_sources(const vector<double>& forward_flux)
   double max_flux = 0.0;
 #pragma omp parallel for reduction(max : max_flux)
   for (int64_t se = 0; se < n_source_elements(); se++) {
-    double flux = forward_flux[se];
+    double flux = source_regions_.scalar_flux_final(se);
     if (flux > max_flux) {
       max_flux = flux;
     }
@@ -1230,7 +1175,7 @@ void FlatSourceDomain::set_adjoint_sources(const vector<double>& forward_flux)
 #pragma omp parallel for
   for (int64_t sr = 0; sr < n_source_regions(); sr++) {
     for (int g = 0; g < negroups_; g++) {
-      double flux = forward_flux[sr * negroups_ + g];
+      double flux = source_regions_.scalar_flux_final(sr, g);
       if (flux <= ZERO_FLUX_CUTOFF * max_flux) {
         source_regions_.external_source(sr, g) = 0.0;
       } else {
@@ -1239,6 +1184,7 @@ void FlatSourceDomain::set_adjoint_sources(const vector<double>& forward_flux)
       if (flux > 0.0) {
         source_regions_.external_source_present(sr) = 1;
       }
+      source_regions_.scalar_flux_final(sr, g) = 0.0;
     }
   }
 
@@ -1265,7 +1211,6 @@ void FlatSourceDomain::set_adjoint_sources(const vector<double>& forward_flux)
       source_regions_.external_source_present(sr) = 0;
     }
   }
-
   // Divide the fixed source term by sigma t (to save time when applying each
   // iteration)
 #pragma omp parallel for
@@ -1326,13 +1271,14 @@ void FlatSourceDomain::apply_mesh_to_cell_instances(int32_t i_cell,
     if ((target_material_id == C_NONE && !is_target_void) ||
         cell_material_id == target_material_id) {
       int64_t sr = source_region_offsets_[i_cell] + j;
-      if (source_regions_.mesh(sr) != C_NONE) {
-        // print out the source region that is broken:
+      // Check if the key is already present in the mesh_map_
+      if (mesh_map_.find(sr) != mesh_map_.end()) {
         fatal_error(fmt::format("Source region {} already has mesh idx {} "
                                 "applied, but trying to apply mesh idx {}",
-          sr, source_regions_.mesh(sr), mesh_idx));
+          sr, mesh_map_[sr], mesh_idx));
       }
-      source_regions_.mesh(sr) = mesh_idx;
+      // If the SR has not already been assigned, then we can write to it
+      mesh_map_[sr] = mesh_idx;
     }
   }
 }
@@ -1402,18 +1348,9 @@ void FlatSourceDomain::apply_meshes()
   }
 }
 
-void FlatSourceDomain::prepare_base_source_regions()
-{
-  std::swap(source_regions_, base_source_regions_);
-  source_regions_.negroups() = base_source_regions_.negroups();
-  source_regions_.is_linear() = base_source_regions_.is_linear();
-}
-
 SourceRegionHandle FlatSourceDomain::get_subdivided_source_region_handle(
-  int64_t sr, int mesh_bin, Position r, double dist, Direction u)
+  SourceRegionKey sr_key, Position r, Direction u)
 {
-  SourceRegionKey sr_key {sr, mesh_bin};
-
   // Case 1: Check if the source region key is already present in the permanent
   // map. This is the most common condition, as any source region visited in a
   // previous power iteration will already be present in the permanent map. If
@@ -1475,9 +1412,8 @@ SourceRegionHandle FlatSourceDomain::get_subdivided_source_region_handle(
   gs.r() = r + TINY_BIT * u;
   gs.u() = {1.0, 0.0, 0.0};
   exhaustive_find_cell(gs);
-  int gs_i_cell = gs.lowest_coord().cell();
-  int64_t sr_found = source_region_offsets_[gs_i_cell] + gs.cell_instance();
-  if (sr_found != sr) {
+  int64_t sr_found = lookup_base_source_region_idx(gs);
+  if (sr_found != sr_key.base_source_region_id) {
     discovered_source_regions_.unlock(sr_key);
     SourceRegionHandle handle;
     handle.is_numerical_fp_artifact_ = true;
@@ -1485,9 +1421,9 @@ SourceRegionHandle FlatSourceDomain::get_subdivided_source_region_handle(
   }
 
   // Sanity check on mesh bin
-  int mesh_idx = base_source_regions_.mesh(sr);
+  int mesh_idx = lookup_mesh_idx(sr_key.base_source_region_id);
   if (mesh_idx == C_NONE) {
-    if (mesh_bin != 0) {
+    if (sr_key.mesh_bin != 0) {
       discovered_source_regions_.unlock(sr_key);
       SourceRegionHandle handle;
       handle.is_numerical_fp_artifact_ = true;
@@ -1496,7 +1432,7 @@ SourceRegionHandle FlatSourceDomain::get_subdivided_source_region_handle(
   } else {
     Mesh* mesh = model::meshes[mesh_idx].get();
     int bin_found = mesh->get_bin(r + TINY_BIT * u);
-    if (bin_found != mesh_bin) {
+    if (bin_found != sr_key.mesh_bin) {
       discovered_source_regions_.unlock(sr_key);
       SourceRegionHandle handle;
       handle.is_numerical_fp_artifact_ = true;
@@ -1508,26 +1444,60 @@ SourceRegionHandle FlatSourceDomain::get_subdivided_source_region_handle(
   // condition only occurs the first time the source region is discovered
   // (typically in the first power iteration). In this case, we need to handle
   // creation of the new source region and its storage into the parallel map.
-  // The new source region is created by copying the base source region, so as
-  // to inherit material, external source, and some flux properties etc. We
-  // also pass the base source region id to allow the new source region to
-  // know which base source region it is derived from.
-  SourceRegion* sr_ptr = discovered_source_regions_.emplace(
-    sr_key, {base_source_regions_.get_source_region_handle(sr), sr});
-  discovered_source_regions_.unlock(sr_key);
+  // Additionally, we need to determine the source region's material, initialize
+  // the starting scalar flux guess, and apply any known external sources.
+
+  // Call the basic constructor for the source region and store in the parallel
+  // map.
+  bool is_linear = RandomRay::source_shape_ != RandomRaySourceShape::FLAT;
+  SourceRegion* sr_ptr =
+    discovered_source_regions_.emplace(sr_key, {negroups_, is_linear});
   SourceRegionHandle handle {*sr_ptr};
 
-  // Check if the new source region contains a point source and apply it if so
-  auto it2 = point_source_map_.find(sr_key);
-  if (it2 != point_source_map_.end()) {
-    int es = it2->second;
-    auto s = model::external_sources[es].get();
-    auto is = dynamic_cast<IndependentSource*>(s);
-    auto energy = dynamic_cast<Discrete*>(is->energy());
-    double strength_factor = is->strength();
-    apply_external_source_to_source_region(energy, strength_factor, handle);
-    int material = handle.material();
-    if (material != MATERIAL_VOID) {
+  // Determine the material
+  int gs_i_cell = gs.lowest_coord().cell();
+  Cell& cell = *model::cells[gs_i_cell];
+  int material = cell.material(gs.cell_instance());
+
+  // If material total XS is extremely low, just set it to void to avoid
+  // problems with 1/Sigma_t
+  for (int g = 0; g < negroups_; g++) {
+    double sigma_t = sigma_t_[material * negroups_ + g];
+    if (sigma_t < MINIMUM_MACRO_XS) {
+      material = MATERIAL_VOID;
+      break;
+    }
+  }
+
+  handle.material() = material;
+
+  // Store the mesh index (if any) assigned to this source region
+  handle.mesh() = mesh_idx;
+
+  if (settings::run_mode == RunMode::FIXED_SOURCE) {
+    // Determine if there are any volumetric sources, and apply them.
+    // Volumetric sources are specifc only to the base SR idx.
+    auto it_vol =
+      external_volumetric_source_map_.find(sr_key.base_source_region_id);
+    if (it_vol != external_volumetric_source_map_.end()) {
+      const vector<int>& vol_sources = it_vol->second;
+      for (int src_idx : vol_sources) {
+        apply_external_source_to_source_region(src_idx, handle);
+      }
+    }
+
+    // Determine if there are any point sources, and apply them.
+    // Point sources are specific to the source region key.
+    auto it_point = external_point_source_map_.find(sr_key);
+    if (it_point != external_point_source_map_.end()) {
+      const vector<int>& point_sources = it_point->second;
+      for (int src_idx : point_sources) {
+        apply_external_source_to_source_region(src_idx, handle);
+      }
+    }
+
+    // Divide external source term by sigma_t
+    if (material != C_NONE) {
       for (int g = 0; g < negroups_; g++) {
         double sigma_t = sigma_t_[material * negroups_ + g];
         handle.external_source(g) /= sigma_t;
@@ -1535,6 +1505,21 @@ SourceRegionHandle FlatSourceDomain::get_subdivided_source_region_handle(
     }
   }
 
+  // Compute the combined source term
+  update_single_neutron_source(handle);
+
+  // Unlock the parallel map. Note: we may be tempted to release
+  // this lock earlier, and then just use the source region's lock to protect
+  // the flux/source initialization stages above. However, the rest of the code
+  // only protects updates to the new flux and volume fields, and assumes that
+  // the source is constant for the duration of transport. Thus, using just the
+  // source region's lock by itself would result in other threads potentially
+  // reading from the source before it is computed, as they won't use the lock
+  // when only reading from the SR's source. It would be expensive to protect
+  // those operations, whereas generating the SR is only done once, so we just
+  // hold the map's bucket lock until the source region is fully initialized.
+  discovered_source_regions_.unlock(sr_key);
+
   return handle;
 }
 
@@ -1620,4 +1605,52 @@ void FlatSourceDomain::apply_transport_stabilization()
   }
 }
 
+// Determines the base source region index (i.e., a material filled cell
+// instance) that corresponds to a particular location in the geometry. Requires
+// that the "gs" object passed in has already been initialized and has called
+// find_cell etc.
+int64_t FlatSourceDomain::lookup_base_source_region_idx(
+  const GeometryState& gs) const
+{
+  int i_cell = gs.lowest_coord().cell();
+  int64_t sr = source_region_offsets_[i_cell] + gs.cell_instance();
+  return sr;
+}
+
+// Determines the index of the mesh (if any) that has been applied
+// to a particular base source region index.
+int FlatSourceDomain::lookup_mesh_idx(int64_t sr) const
+{
+  int mesh_idx = C_NONE;
+  auto mesh_it = mesh_map_.find(sr);
+  if (mesh_it != mesh_map_.end()) {
+    mesh_idx = mesh_it->second;
+  }
+  return mesh_idx;
+}
+
+// Determines the source region key that corresponds to a particular location in
+// the geometry. This takes into account both the base source region index as
+// well as the mesh bin if a mesh is applied to this source region for
+// subdivision.
+SourceRegionKey FlatSourceDomain::lookup_source_region_key(
+  const GeometryState& gs) const
+{
+  int64_t sr = lookup_base_source_region_idx(gs);
+  int64_t mesh_bin = lookup_mesh_bin(sr, gs.r());
+  return SourceRegionKey {sr, mesh_bin};
+}
+
+// Determines the mesh bin that corresponds to a particular base source region
+// index and position.
+int64_t FlatSourceDomain::lookup_mesh_bin(int64_t sr, Position r) const
+{
+  int mesh_idx = lookup_mesh_idx(sr);
+  int mesh_bin = 0;
+  if (mesh_idx != C_NONE) {
+    mesh_bin = model::meshes[mesh_idx]->get_bin(r);
+  }
+  return mesh_bin;
+}
+
 } // namespace openmc
diff --git a/src/random_ray/linear_source_domain.cpp b/src/random_ray/linear_source_domain.cpp
index 81412164e..e1ad68e3d 100644
--- a/src/random_ray/linear_source_domain.cpp
+++ b/src/random_ray/linear_source_domain.cpp
@@ -34,25 +34,18 @@ void LinearSourceDomain::batch_reset()
   }
 }
 
-void LinearSourceDomain::update_neutron_source(double k_eff)
+void LinearSourceDomain::update_single_neutron_source(SourceRegionHandle& srh)
 {
-  simulation::time_update_src.start();
-
-  double inverse_k_eff = 1.0 / k_eff;
-
-// Reset all source regions to zero (important for void regions)
-#pragma omp parallel for
-  for (int64_t se = 0; se < n_source_elements(); se++) {
-    source_regions_.source(se) = 0.0;
+  // Reset all source regions to zero (important for void regions)
+  for (int g = 0; g < negroups_; g++) {
+    srh.source(g) = 0.0;
   }
 
-#pragma omp parallel for
-  for (int64_t sr = 0; sr < n_source_regions(); sr++) {
-    int material = source_regions_.material(sr);
-    if (material == MATERIAL_VOID) {
-      continue;
-    }
-    MomentMatrix invM = source_regions_.mom_matrix(sr).inverse();
+  // Add scattering + fission source
+  int material = srh.material();
+  if (material != MATERIAL_VOID) {
+    double inverse_k_eff = 1.0 / k_eff_;
+    MomentMatrix invM = srh.mom_matrix().inverse();
 
     for (int g_out = 0; g_out < negroups_; g_out++) {
       double sigma_t = sigma_t_[material * negroups_ + g_out];
@@ -64,8 +57,8 @@ void LinearSourceDomain::update_neutron_source(double k_eff)
 
       for (int g_in = 0; g_in < negroups_; g_in++) {
         // Handles for the flat and linear components of the flux
-        double flux_flat = source_regions_.scalar_flux_old(sr, g_in);
-        MomentArray flux_linear = source_regions_.flux_moments_old(sr, g_in);
+        double flux_flat = srh.scalar_flux_old(g_in);
+        MomentArray flux_linear = srh.flux_moments_old(g_in);
 
         // Handles for cross sections
         double sigma_s =
@@ -81,7 +74,7 @@ void LinearSourceDomain::update_neutron_source(double k_eff)
       }
 
       // Compute the flat source term
-      source_regions_.source(sr, g_out) =
+      srh.source(g_out) =
         (scatter_flat + fission_flat * inverse_k_eff) / sigma_t;
 
       // Compute the linear source terms. In the first 10 iterations when the
@@ -91,25 +84,21 @@ void LinearSourceDomain::update_neutron_source(double k_eff)
       // very small/noisy or have poorly developed spatial moments, so we zero
       // the source gradients (effectively making this a flat source region
       // temporarily), so as to improve stability.
-      if (simulation::current_batch > 10 &&
-          source_regions_.source(sr, g_out) >= 0.0) {
-        source_regions_.source_gradients(sr, g_out) =
+      if (simulation::current_batch > 10 && srh.source(g_out) >= 0.0) {
+        srh.source_gradients(g_out) =
           invM * ((scatter_linear + fission_linear * inverse_k_eff) / sigma_t);
       } else {
-        source_regions_.source_gradients(sr, g_out) = {0.0, 0.0, 0.0};
+        srh.source_gradients(g_out) = {0.0, 0.0, 0.0};
       }
     }
   }
 
+  // Add external source if in fixed source mode
   if (settings::run_mode == RunMode::FIXED_SOURCE) {
-// Add external source to flat source term if in fixed source mode
-#pragma omp parallel for
-    for (int64_t se = 0; se < n_source_elements(); se++) {
-      source_regions_.source(se) += source_regions_.external_source(se);
+    for (int g = 0; g < negroups_; g++) {
+      srh.source(g) += srh.external_source(g);
     }
   }
-
-  simulation::time_update_src.stop();
 }
 
 void LinearSourceDomain::normalize_scalar_flux_and_volumes(
diff --git a/src/random_ray/random_ray.cpp b/src/random_ray/random_ray.cpp
index 27f674c42..89a91449d 100644
--- a/src/random_ray/random_ray.cpp
+++ b/src/random_ray/random_ray.cpp
@@ -237,7 +237,6 @@ double RandomRay::distance_inactive_;
 double RandomRay::distance_active_;
 unique_ptr<Source> RandomRay::ray_source_;
 RandomRaySourceShape RandomRay::source_shape_ {RandomRaySourceShape::FLAT};
-bool RandomRay::mesh_subdivision_enabled_ {false};
 RandomRaySampleMethod RandomRay::sample_method_ {RandomRaySampleMethod::PRNG};
 
 RandomRay::RandomRay()
@@ -336,71 +335,60 @@ void RandomRay::event_advance_ray()
 
 void RandomRay::attenuate_flux(double distance, bool is_active, double offset)
 {
-  // Determine source region index etc.
-  int i_cell = lowest_coord().cell();
-
-  // The base source region is the spatial region index
-  int64_t sr = domain_->source_region_offsets_[i_cell] + cell_instance();
+  // Lookup base source region index
+  int64_t sr = domain_->lookup_base_source_region_idx(*this);
 
   // Perform ray tracing across mesh
-  if (mesh_subdivision_enabled_) {
-    // Determine the mesh index for the base source region, if any
-    int mesh_idx = domain_->base_source_regions_.mesh(sr);
+  // Determine the mesh index for the base source region, if any
+  int mesh_idx = domain_->lookup_mesh_idx(sr);
 
-    if (mesh_idx == C_NONE) {
-      // If there's no mesh being applied to this cell, then
-      // we just attenuate the flux as normal, and set
-      // the mesh bin to 0
-      attenuate_flux_inner(distance, is_active, sr, 0, r());
-    } else {
-      // If there is a mesh being applied to this cell, then
-      // we loop over all the bin crossings and attenuate
-      // separately.
-      Mesh* mesh = model::meshes[mesh_idx].get();
-
-      // We adjust the start and end positions of the ray slightly
-      // to accomodate for floating point precision issues that tend
-      // to occur at mesh boundaries that overlap with geometry lattice
-      // boundaries.
-      Position start = r() + (offset + TINY_BIT) * u();
-      Position end = start + (distance - 2.0 * TINY_BIT) * u();
-      double reduced_distance = (end - start).norm();
-
-      // Ray trace through the mesh and record bins and lengths
-      mesh_bins_.resize(0);
-      mesh_fractional_lengths_.resize(0);
-      mesh->bins_crossed(start, end, u(), mesh_bins_, mesh_fractional_lengths_);
-
-      // Loop over all mesh bins and attenuate flux
-      for (int b = 0; b < mesh_bins_.size(); b++) {
-        double physical_length = reduced_distance * mesh_fractional_lengths_[b];
-        attenuate_flux_inner(
-          physical_length, is_active, sr, mesh_bins_[b], start);
-        start += physical_length * u();
-      }
-    }
+  if (mesh_idx == C_NONE) {
+    // If there's no mesh being applied to this cell, then
+    // we just attenuate the flux as normal, and set
+    // the mesh bin to 0
+    attenuate_flux_inner(distance, is_active, sr, 0, r());
   } else {
-    attenuate_flux_inner(distance, is_active, sr, C_NONE, r());
+    // If there is a mesh being applied to this cell, then
+    // we loop over all the bin crossings and attenuate
+    // separately.
+    Mesh* mesh = model::meshes[mesh_idx].get();
+
+    // We adjust the start and end positions of the ray slightly
+    // to accomodate for floating point precision issues that tend
+    // to occur at mesh boundaries that overlap with geometry lattice
+    // boundaries.
+    Position start = r() + (offset + TINY_BIT) * u();
+    Position end = start + (distance - 2.0 * TINY_BIT) * u();
+    double reduced_distance = (end - start).norm();
+
+    // Ray trace through the mesh and record bins and lengths
+    mesh_bins_.resize(0);
+    mesh_fractional_lengths_.resize(0);
+    mesh->bins_crossed(start, end, u(), mesh_bins_, mesh_fractional_lengths_);
+
+    // Loop over all mesh bins and attenuate flux
+    for (int b = 0; b < mesh_bins_.size(); b++) {
+      double physical_length = reduced_distance * mesh_fractional_lengths_[b];
+      attenuate_flux_inner(
+        physical_length, is_active, sr, mesh_bins_[b], start);
+      start += physical_length * u();
+    }
   }
 }
 
 void RandomRay::attenuate_flux_inner(
   double distance, bool is_active, int64_t sr, int mesh_bin, Position r)
 {
+  SourceRegionKey sr_key {sr, mesh_bin};
   SourceRegionHandle srh;
-  if (mesh_subdivision_enabled_) {
-    srh = domain_->get_subdivided_source_region_handle(
-      sr, mesh_bin, r, distance, u());
-    if (srh.is_numerical_fp_artifact_) {
-      return;
-    }
-  } else {
-    srh = domain_->source_regions_.get_source_region_handle(sr);
+  srh = domain_->get_subdivided_source_region_handle(sr_key, r, u());
+  if (srh.is_numerical_fp_artifact_) {
+    return;
   }
 
   switch (source_shape_) {
   case RandomRaySourceShape::FLAT:
-    if (this->material() == MATERIAL_VOID) {
+    if (srh.material() == MATERIAL_VOID) {
       attenuate_flux_flat_source_void(srh, distance, is_active, r);
     } else {
       attenuate_flux_flat_source(srh, distance, is_active, r);
@@ -408,7 +396,7 @@ void RandomRay::attenuate_flux_inner(
     break;
   case RandomRaySourceShape::LINEAR:
   case RandomRaySourceShape::LINEAR_XY:
-    if (this->material() == MATERIAL_VOID) {
+    if (srh.material() == MATERIAL_VOID) {
       attenuate_flux_linear_source_void(srh, distance, is_active, r);
     } else {
       attenuate_flux_linear_source(srh, distance, is_active, r);
@@ -439,7 +427,7 @@ void RandomRay::attenuate_flux_flat_source(
   n_event()++;
 
   // Get material
-  int material = this->material();
+  int material = srh.material();
 
   // MOC incoming flux attenuation + source contribution/attenuation equation
   for (int g = 0; g < negroups_; g++) {
@@ -490,7 +478,7 @@ void RandomRay::attenuate_flux_flat_source_void(
   // The number of geometric intersections is counted for reporting purposes
   n_event()++;
 
-  int material = this->material();
+  int material = srh.material();
 
   // If ray is in the active phase (not in dead zone), make contributions to
   // source region bookkeeping
@@ -537,7 +525,7 @@ void RandomRay::attenuate_flux_linear_source(
   // The number of geometric intersections is counted for reporting purposes
   n_event()++;
 
-  int material = this->material();
+  int material = srh.material();
 
   Position& centroid = srh.centroid();
   Position midpoint = r + u() * (distance / 2.0);
@@ -810,27 +798,12 @@ void RandomRay::initialize_ray(uint64_t ray_id, FlatSourceDomain* domain)
       cell_born() = lowest_coord().cell();
   }
 
+  SourceRegionKey sr_key = domain_->lookup_source_region_key(*this);
+  SourceRegionHandle srh =
+    domain_->get_subdivided_source_region_handle(sr_key, r(), u());
+
   // Initialize ray's starting angular flux to starting location's isotropic
   // source
-  int i_cell = lowest_coord().cell();
-  int64_t sr = domain_->source_region_offsets_[i_cell] + cell_instance();
-
-  SourceRegionHandle srh;
-  if (mesh_subdivision_enabled_) {
-    int mesh_idx = domain_->base_source_regions_.mesh(sr);
-    int mesh_bin;
-    if (mesh_idx == C_NONE) {
-      mesh_bin = 0;
-    } else {
-      Mesh* mesh = model::meshes[mesh_idx].get();
-      mesh_bin = mesh->get_bin(r());
-    }
-    srh =
-      domain_->get_subdivided_source_region_handle(sr, mesh_bin, r(), 0.0, u());
-  } else {
-    srh = domain_->source_regions_.get_source_region_handle(sr);
-  }
-
   if (!srh.is_numerical_fp_artifact_) {
     for (int g = 0; g < negroups_; g++) {
       angular_flux_[g] = srh.source(g);
diff --git a/src/random_ray/random_ray_simulation.cpp b/src/random_ray/random_ray_simulation.cpp
index 388a778b8..d475b2593 100644
--- a/src/random_ray/random_ray_simulation.cpp
+++ b/src/random_ray/random_ray_simulation.cpp
@@ -47,97 +47,82 @@ void openmc_run_random_ray()
   if (mpi::master)
     validate_random_ray_inputs();
 
-  // Declare forward flux so that it can be saved for later adjoint simulation
-  vector<double> forward_flux;
-  SourceRegionContainer forward_source_regions;
-  SourceRegionContainer forward_base_source_regions;
-  std::unordered_map<SourceRegionKey, int64_t, SourceRegionKey::HashFunctor>
-    forward_source_region_map;
+  // Initialize Random Ray Simulation Object
+  RandomRaySimulation sim;
 
-  {
-    // Initialize Random Ray Simulation Object
-    RandomRaySimulation sim;
+  // Initialize fixed sources, if present
+  sim.apply_fixed_sources_and_mesh_domains();
 
-    // Initialize fixed sources, if present
-    sim.apply_fixed_sources_and_mesh_domains();
+  // Begin main simulation timer
+  simulation::time_total.start();
 
-    // Begin main simulation timer
-    simulation::time_total.start();
+  // Execute random ray simulation
+  sim.simulate();
 
-    // Execute random ray simulation
-    sim.simulate();
+  // End main simulation timer
+  simulation::time_total.stop();
 
-    // End main simulation timer
-    simulation::time_total.stop();
-
-    // Normalize and save the final forward flux
-    sim.domain()->serialize_final_fluxes(forward_flux);
-
-    double source_normalization_factor =
-      sim.domain()->compute_fixed_source_normalization_factor() /
-      (settings::n_batches - settings::n_inactive);
+  // Normalize and save the final forward flux
+  double source_normalization_factor =
+    sim.domain()->compute_fixed_source_normalization_factor() /
+    (settings::n_batches - settings::n_inactive);
 
 #pragma omp parallel for
-    for (uint64_t i = 0; i < forward_flux.size(); i++) {
-      forward_flux[i] *= source_normalization_factor;
-    }
-
-    forward_source_regions = sim.domain()->source_regions_;
-    forward_source_region_map = sim.domain()->source_region_map_;
-    forward_base_source_regions = sim.domain()->base_source_regions_;
-
-    // Finalize OpenMC
-    openmc_simulation_finalize();
-
-    // Output all simulation results
-    sim.output_simulation_results();
+  for (uint64_t se = 0; se < sim.domain()->n_source_elements(); se++) {
+    sim.domain()->source_regions_.scalar_flux_final(se) *=
+      source_normalization_factor;
   }
 
+  // Finalize OpenMC
+  openmc_simulation_finalize();
+
+  // Output all simulation results
+  sim.output_simulation_results();
+
   //////////////////////////////////////////////////////////
   // Run adjoint simulation (if enabled)
   //////////////////////////////////////////////////////////
 
-  if (adjoint_needed) {
-    reset_timers();
-
-    // Configure the domain for adjoint simulation
-    FlatSourceDomain::adjoint_ = true;
-
-    if (mpi::master)
-      header("ADJOINT FLUX SOLVE", 3);
-
-    // Initialize OpenMC general data structures
-    openmc_simulation_init();
-
-    // Initialize Random Ray Simulation Object
-    RandomRaySimulation adjoint_sim;
-
-    // Initialize adjoint fixed sources, if present
-    adjoint_sim.prepare_fixed_sources_adjoint(forward_flux,
-      forward_source_regions, forward_base_source_regions,
-      forward_source_region_map);
-
-    // Transpose scattering matrix
-    adjoint_sim.domain()->transpose_scattering_matrix();
-
-    // Swap nu_sigma_f and chi
-    adjoint_sim.domain()->nu_sigma_f_.swap(adjoint_sim.domain()->chi_);
-
-    // Begin main simulation timer
-    simulation::time_total.start();
-
-    // Execute random ray simulation
-    adjoint_sim.simulate();
-
-    // End main simulation timer
-    simulation::time_total.stop();
-
-    // Finalize OpenMC
-    openmc_simulation_finalize();
-
-    // Output all simulation results
-    adjoint_sim.output_simulation_results();
+  if (!adjoint_needed) {
+    return;
   }
+
+  reset_timers();
+
+  // Configure the domain for adjoint simulation
+  FlatSourceDomain::adjoint_ = true;
+
+  if (mpi::master)
+    header("ADJOINT FLUX SOLVE", 3);
+
+  // Initialize OpenMC general data structures
+  openmc_simulation_init();
+
+  sim.domain()->k_eff_ = 1.0;
+
+  // Initialize adjoint fixed sources, if present
+  sim.prepare_fixed_sources_adjoint();
+
+  // Transpose scattering matrix
+  sim.domain()->transpose_scattering_matrix();
+
+  // Swap nu_sigma_f and chi
+  sim.domain()->nu_sigma_f_.swap(sim.domain()->chi_);
+
+  // Begin main simulation timer
+  simulation::time_total.start();
+
+  // Execute random ray simulation
+  sim.simulate();
+
+  // End main simulation timer
+  simulation::time_total.stop();
+
+  // Finalize OpenMC
+  openmc_simulation_finalize();
+
+  // Output all simulation results
+  sim.output_simulation_results();
 }
 
 // Enforces restrictions on inputs in random ray mode.  While there are
@@ -348,7 +333,6 @@ void validate_random_ray_inputs()
   // when generating weight windows with FW-CADIS and an overlaid mesh.
   ///////////////////////////////////////////////////////////////////
   if (RandomRay::source_shape_ == RandomRaySourceShape::LINEAR &&
-      RandomRay::mesh_subdivision_enabled_ &&
       variance_reduction::weight_windows.size() > 0) {
     warning(
       "Linear sources may result in negative fluxes in small source regions "
@@ -366,7 +350,6 @@ void openmc_reset_random_ray()
   FlatSourceDomain::mesh_domain_map_.clear();
   RandomRay::ray_source_.reset();
   RandomRay::source_shape_ = RandomRaySourceShape::FLAT;
-  RandomRay::mesh_subdivision_enabled_ = false;
   RandomRay::sample_method_ = RandomRaySampleMethod::PRNG;
 }
 
@@ -412,20 +395,11 @@ void RandomRaySimulation::apply_fixed_sources_and_mesh_domains()
   }
 }
 
-void RandomRaySimulation::prepare_fixed_sources_adjoint(
-  vector<double>& forward_flux, SourceRegionContainer& forward_source_regions,
-  SourceRegionContainer& forward_base_source_regions,
-  std::unordered_map<SourceRegionKey, int64_t, SourceRegionKey::HashFunctor>&
-    forward_source_region_map)
+void RandomRaySimulation::prepare_fixed_sources_adjoint()
 {
+  domain_->source_regions_.adjoint_reset();
   if (settings::run_mode == RunMode::FIXED_SOURCE) {
-    if (RandomRay::mesh_subdivision_enabled_) {
-      domain_->source_regions_ = forward_source_regions;
-      domain_->source_region_map_ = forward_source_region_map;
-      domain_->base_source_regions_ = forward_base_source_regions;
-      domain_->source_regions_.adjoint_reset();
-    }
-    domain_->set_adjoint_sources(forward_flux);
+    domain_->set_adjoint_sources();
   }
 }
 
@@ -445,22 +419,18 @@ void RandomRaySimulation::simulate()
       simulation::total_weight = 1.0;
 
       // Update source term (scattering + fission)
-      domain_->update_neutron_source(k_eff_);
+      domain_->update_all_neutron_sources();
 
-      // Reset scalar fluxes, iteration volume tallies, and region hit flags to
-      // zero
+      // Reset scalar fluxes, iteration volume tallies, and region hit flags
+      // to zero
       domain_->batch_reset();
 
-      // At the beginning of the simulation, if mesh subvivision is in use, we
+      // At the beginning of the simulation, if mesh subdivision is in use, we
       // need to swap the main source region container into the base container,
       // as the main source region container will be used to hold the true
       // subdivided source regions. The base container will therefore only
       // contain the external source region information, the mesh indices,
       // material properties, and initial guess values for the flux/source.
-      if (RandomRay::mesh_subdivision_enabled_ &&
-          simulation::current_batch == 1 && !FlatSourceDomain::adjoint_) {
-        domain_->prepare_base_source_regions();
-      }
 
       // Start timer for transport
       simulation::time_transport.start();
@@ -476,11 +446,9 @@ void RandomRaySimulation::simulate()
 
       simulation::time_transport.stop();
 
-      // If using mesh subdivision, add any newly discovered source regions
-      // to the main source region container.
-      if (RandomRay::mesh_subdivision_enabled_) {
-        domain_->finalize_discovered_source_regions();
-      }
+      // Add any newly discovered source regions to the main source region
+      // container.
+      domain_->finalize_discovered_source_regions();
 
       // Normalize scalar flux and update volumes
       domain_->normalize_scalar_flux_and_volumes(
@@ -494,10 +462,10 @@ void RandomRaySimulation::simulate()
 
       if (settings::run_mode == RunMode::EIGENVALUE) {
         // Compute random ray k-eff
-        k_eff_ = domain_->compute_k_eff(k_eff_);
+        domain_->compute_k_eff();
 
         // Store random ray k-eff into OpenMC's native k-eff variable
-        global_tally_tracklength = k_eff_;
+        global_tally_tracklength = domain_->k_eff_;
       }
 
       // Execute all tallying tasks, if this is an active batch
@@ -507,12 +475,6 @@ void RandomRaySimulation::simulate()
         // estimate
         domain_->accumulate_iteration_flux();
 
-        // Generate mapping between source regions and tallies
-        if (!domain_->mapped_all_tallies_ &&
-            !RandomRay::mesh_subdivision_enabled_) {
-          domain_->convert_source_regions_to_tallies(0);
-        }
-
         // Use above mapping to contribute FSR flux data to appropriate
         // tallies
         domain_->random_ray_tally();
@@ -522,7 +484,7 @@ void RandomRaySimulation::simulate()
       domain_->flux_swap();
 
       // Check for any obvious insabilities/nans/infs
-      instability_check(n_hits, k_eff_, avg_miss_rate_);
+      instability_check(n_hits, domain_->k_eff_, avg_miss_rate_);
     } // End MPI master work
 
     // Finalize the current batch
@@ -571,7 +533,7 @@ void RandomRaySimulation::instability_check(
     }
 
     if (k_eff > 10.0 || k_eff < 0.01 || !(std::isfinite(k_eff))) {
-      fatal_error("Instability detected");
+      fatal_error(fmt::format("Instability detected: k-eff = {:.5f}", k_eff));
     }
   }
 }
diff --git a/src/random_ray/source_region.cpp b/src/random_ray/source_region.cpp
index 1205b995a..3b06f0ed0 100644
--- a/src/random_ray/source_region.cpp
+++ b/src/random_ray/source_region.cpp
@@ -48,7 +48,7 @@ SourceRegion::SourceRegion(int negroups, bool is_linear)
   }
 
   scalar_flux_new_.assign(negroups, 0.0);
-  source_.resize(negroups);
+  source_.assign(negroups, 0.0);
   scalar_flux_final_.assign(negroups, 0.0);
 
   tally_task_.resize(negroups);
@@ -60,25 +60,6 @@ SourceRegion::SourceRegion(int negroups, bool is_linear)
   }
 }
 
-SourceRegion::SourceRegion(const SourceRegionHandle& handle, int64_t parent_sr)
-  : SourceRegion(handle.negroups_, handle.is_linear_)
-{
-  material_ = handle.material();
-  mesh_ = handle.mesh();
-  parent_sr_ = parent_sr;
-  for (int g = 0; g < scalar_flux_new_.size(); g++) {
-    scalar_flux_old_[g] = handle.scalar_flux_old(g);
-    source_[g] = handle.source(g);
-  }
-
-  if (settings::run_mode == RunMode::FIXED_SOURCE) {
-    external_source_present_ = handle.external_source_present();
-    for (int g = 0; g < scalar_flux_new_.size(); g++) {
-      external_source_[g] = handle.external_source(g);
-    }
-  }
-}
-
 //==============================================================================
 // SourceRegionContainer implementation
 //==============================================================================
@@ -259,9 +240,12 @@ void SourceRegionContainer::adjoint_reset()
     MomentMatrix {0.0, 0.0, 0.0, 0.0, 0.0, 0.0});
   std::fill(mom_matrix_t_.begin(), mom_matrix_t_.end(),
     MomentMatrix {0.0, 0.0, 0.0, 0.0, 0.0, 0.0});
-  std::fill(scalar_flux_old_.begin(), scalar_flux_old_.end(), 0.0);
+  if (settings::run_mode == RunMode::FIXED_SOURCE) {
+    std::fill(scalar_flux_old_.begin(), scalar_flux_old_.end(), 0.0);
+  } else {
+    std::fill(scalar_flux_old_.begin(), scalar_flux_old_.end(), 1.0);
+  }
   std::fill(scalar_flux_new_.begin(), scalar_flux_new_.end(), 0.0);
-  std::fill(scalar_flux_final_.begin(), scalar_flux_final_.end(), 0.0);
   std::fill(source_.begin(), source_.end(), 0.0f);
   std::fill(external_source_.begin(), external_source_.end(), 0.0f);
   std::fill(source_gradients_.begin(), source_gradients_.end(),
diff --git a/src/settings.cpp b/src/settings.cpp
index 03d42bb9d..f9a2469db 100644
--- a/src/settings.cpp
+++ b/src/settings.cpp
@@ -346,7 +346,6 @@ void get_run_parameters(pugi::xml_node node_base)
           }
           FlatSourceDomain::mesh_domain_map_[mesh_id].emplace_back(
             type, domain_id);
-          RandomRay::mesh_subdivision_enabled_ = true;
         }
       }
     }
diff --git a/tests/regression_tests/random_ray_low_density/__init__.py b/tests/regression_tests/random_ray_low_density/__init__.py
new file mode 100644
index 000000000..e69de29bb
diff --git a/tests/regression_tests/random_ray_low_density/inputs_true.dat b/tests/regression_tests/random_ray_low_density/inputs_true.dat
new file mode 100644
index 000000000..c4fd06f42
--- /dev/null
+++ b/tests/regression_tests/random_ray_low_density/inputs_true.dat
@@ -0,0 +1,244 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <cross_sections>mgxs.h5</cross_sections>
+    <material id="1" name="source">
+      <density value="1.0" units="macro"/>
+      <macroscopic name="source"/>
+    </material>
+    <material id="2" name="void">
+      <density value="1.0" units="macro"/>
+      <macroscopic name="void"/>
+    </material>
+    <material id="3" name="absorber">
+      <density value="1.0" units="macro"/>
+      <macroscopic name="absorber"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" name="infinite source region" material="1" universe="1"/>
+    <cell id="2" name="infinite void region" material="2" universe="2"/>
+    <cell id="3" name="infinite absorber region" material="3" universe="3"/>
+    <cell id="4" fill="4" universe="5"/>
+    <cell id="5" name="full domain" fill="5" region="1 -2 3 -4 5 -6" universe="6"/>
+    <lattice id="4">
+      <pitch>2.5 2.5 2.5</pitch>
+      <dimension>12 12 12</dimension>
+      <lower_left>0.0 0.0 0.0</lower_left>
+      <universes>
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+1 1 2 2 2 2 2 2 2 2 3 3 
+1 1 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+1 1 2 2 2 2 2 2 2 2 3 3 
+1 1 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 </universes>
+    </lattice>
+    <surface id="1" type="x-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="2" type="x-plane" boundary="vacuum" coeffs="30.0"/>
+    <surface id="3" type="y-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="4" type="y-plane" boundary="vacuum" coeffs="30.0"/>
+    <surface id="5" type="z-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="6" type="z-plane" boundary="vacuum" coeffs="30.0"/>
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>90</particles>
+    <batches>10</batches>
+    <inactive>5</inactive>
+    <source type="independent" strength="3.14" particle="neutron">
+      <energy type="discrete">
+        <parameters>100.0 1.0</parameters>
+      </energy>
+      <constraints>
+        <domain_type>universe</domain_type>
+        <domain_ids>1</domain_ids>
+      </constraints>
+    </source>
+    <energy_mode>multi-group</energy_mode>
+    <random_ray>
+      <distance_active>500.0</distance_active>
+      <distance_inactive>100.0</distance_inactive>
+      <source type="independent" strength="1.0" particle="neutron">
+        <space type="box">
+          <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
+        </space>
+      </source>
+      <volume_normalized_flux_tallies>True</volume_normalized_flux_tallies>
+    </random_ray>
+  </settings>
+  <tallies>
+    <filter id="3" type="material">
+      <bins>1</bins>
+    </filter>
+    <filter id="2" type="material">
+      <bins>2</bins>
+    </filter>
+    <filter id="1" type="material">
+      <bins>3</bins>
+    </filter>
+    <tally id="3" name="Source Tally">
+      <filters>3</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="2" name="Void Tally">
+      <filters>2</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="1" name="Absorber Tally">
+      <filters>1</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/random_ray_low_density/results_true.dat b/tests/regression_tests/random_ray_low_density/results_true.dat
new file mode 100644
index 000000000..a4b3ee1bc
--- /dev/null
+++ b/tests/regression_tests/random_ray_low_density/results_true.dat
@@ -0,0 +1,9 @@
+tally 1:
+5.973607E-01
+7.155477E-02
+tally 2:
+3.206216E-02
+2.063375E-04
+tally 3:
+2.096415E-03
+8.804963E-07
diff --git a/tests/regression_tests/random_ray_low_density/test.py b/tests/regression_tests/random_ray_low_density/test.py
new file mode 100644
index 000000000..1b4ffb781
--- /dev/null
+++ b/tests/regression_tests/random_ray_low_density/test.py
@@ -0,0 +1,60 @@
+import os
+
+import numpy as np
+import openmc
+from openmc.examples import random_ray_three_region_cube
+
+from tests.testing_harness import TolerantPyAPITestHarness
+
+
+class MGXSTestHarness(TolerantPyAPITestHarness):
+    def _cleanup(self):
+        super()._cleanup()
+        f = 'mgxs.h5'
+        if os.path.exists(f):
+            os.remove(f)
+
+
+def test_random_ray_low_density():
+    model = random_ray_three_region_cube()
+
+    # Rebuild the MGXS library to have a material with very
+    # low macroscopic cross sections
+    ebins = [1e-5, 20.0e6]
+    groups = openmc.mgxs.EnergyGroups(group_edges=ebins)
+
+    void_sigma_a = 4.0e-6
+    void_sigma_s = 3.0e-4
+    void_mat_data = openmc.XSdata('void', groups)
+    void_mat_data.order = 0
+    void_mat_data.set_total([void_sigma_a + void_sigma_s])
+    void_mat_data.set_absorption([void_sigma_a])
+    void_mat_data.set_scatter_matrix(
+        np.rollaxis(np.array([[[void_sigma_s]]]), 0, 3))
+
+    absorber_sigma_a = 0.75
+    absorber_sigma_s = 0.25
+    absorber_mat_data = openmc.XSdata('absorber', groups)
+    absorber_mat_data.order = 0
+    absorber_mat_data.set_total([absorber_sigma_a + absorber_sigma_s])
+    absorber_mat_data.set_absorption([absorber_sigma_a])
+    absorber_mat_data.set_scatter_matrix(
+        np.rollaxis(np.array([[[absorber_sigma_s]]]), 0, 3))
+
+    multiplier = 0.0000001
+    source_sigma_a = void_sigma_a * multiplier
+    source_sigma_s = void_sigma_s * multiplier
+    source_mat_data = openmc.XSdata('source', groups)
+    source_mat_data.order = 0
+    source_mat_data.set_total([source_sigma_a + source_sigma_s])
+    source_mat_data.set_absorption([source_sigma_a])
+    source_mat_data.set_scatter_matrix(
+        np.rollaxis(np.array([[[source_sigma_s]]]), 0, 3))
+
+    mg_cross_sections_file = openmc.MGXSLibrary(groups)
+    mg_cross_sections_file.add_xsdatas(
+        [source_mat_data, void_mat_data, absorber_mat_data])
+    mg_cross_sections_file.export_to_hdf5()
+
+    harness = MGXSTestHarness('statepoint.10.h5', model)
+    harness.main()
diff --git a/tests/regression_tests/random_ray_point_source_locator/results_true.dat b/tests/regression_tests/random_ray_point_source_locator/results_true.dat
index 1785dda57..8c6f358dd 100644
--- a/tests/regression_tests/random_ray_point_source_locator/results_true.dat
+++ b/tests/regression_tests/random_ray_point_source_locator/results_true.dat
@@ -1,9 +1,9 @@
 tally 1:
-2.633900E+00
-2.948207E+00
+2.633923E+00
+2.948228E+00
 tally 2:
-1.440463E-01
-3.294032E-03
+1.440456E-01
+3.293984E-03
 tally 3:
 9.425207E-03
 1.089748E-05

From 1dacf4fd2bba3582b575b6abf92b5d201eabab37 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 2 Oct 2025 11:48:02 -0500
Subject: [PATCH 2403/2654] Add missing documentation on <source> in depletion
 chain file format (#3590)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
Co-authored-by: April Novak <novak@berkeley.edu>
---
 docs/source/io_formats/depletion_chain.rst | 21 +++++++++++++++++++++
 openmc/data/decay.py                       |  2 +-
 2 files changed, 22 insertions(+), 1 deletion(-)

diff --git a/docs/source/io_formats/depletion_chain.rst b/docs/source/io_formats/depletion_chain.rst
index 89c76525f..74413e7b6 100644
--- a/docs/source/io_formats/depletion_chain.rst
+++ b/docs/source/io_formats/depletion_chain.rst
@@ -56,6 +56,27 @@ attributes:
 
 .. _io_chain_reaction:
 
+--------------------
+``<source>`` Element
+--------------------
+
+The ``<source>`` element represents photon and electron sources associated with
+the decay of a nuclide and contains information to construct an
+:class:`openmc.stats.Univariate` object that represents this emission as an
+energy distribution. This element has the following attributes:
+
+  :type:
+    The type of :class:`openmc.stats.Univariate` source term.
+
+  :particle:
+    The type of particle emitted, e.g., 'photon' or 'electron'
+
+  :parameters:
+    The parameters of the source term, e.g., for a
+    :class:`openmc.stats.Discrete` source, the energies (in [eV]) at which the
+    particles are emitted and their relative intensities in [Bq/atom] (in other
+    words, decay constants).
+
 ----------------------
 ``<reaction>`` Element
 ----------------------
diff --git a/openmc/data/decay.py b/openmc/data/decay.py
index 1a11d3614..c8a0bb5e7 100644
--- a/openmc/data/decay.py
+++ b/openmc/data/decay.py
@@ -591,7 +591,7 @@ def decay_photon_energy(nuclide: str) -> Univariate | None:
     openmc.stats.Univariate or None
         Distribution of energies in [eV] of photons emitted from decay, or None
         if no photon source exists. Note that the probabilities represent
-        intensities, given as [Bq].
+        intensities, given as [Bq/atom] (in other words, decay constants).
     """
     if not _DECAY_PHOTON_ENERGY:
         chain_file = openmc.config.get('chain_file')

From 91a19cf2201731017e02e445f2fc5995cfa51c46 Mon Sep 17 00:00:00 2001
From: Perry <100789850+yrrepy@users.noreply.github.com>
Date: Thu, 2 Oct 2025 14:50:42 -0700
Subject: [PATCH 2404/2654] Ensure weight_windows_file information is read from
 XML (#3587)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/settings.py | 10 ++++++++++
 1 file changed, 10 insertions(+)

diff --git a/openmc/settings.py b/openmc/settings.py
index 7bbc31c19..dc6fa99f9 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -1641,6 +1641,7 @@ class Settings:
                 if mesh_memo is not None:
                     mesh_memo.add(ww.mesh.id)
 
+    def _create_weight_windows_on_subelement(self, root):
         if self._weight_windows_on is not None:
             elem = ET.SubElement(root, "weight_windows_on")
             elem.text = str(self._weight_windows_on).lower()
@@ -2074,10 +2075,16 @@ class Settings:
             ww = WeightWindows.from_xml_element(elem, meshes)
             self.weight_windows.append(ww)
 
+    def _weight_windows_on_from_xml_element(self, root):
         text = get_text(root, 'weight_windows_on')
         if text is not None:
             self.weight_windows_on = text in ('true', '1')
 
+    def _weight_windows_file_from_xml_element(self, root):
+        text = get_text(root, 'weight_windows_file')
+        if text is not None:
+            self.weight_windows_file = text
+
     def _weight_window_checkpoints_from_xml_element(self, root):
         elem = root.find('weight_window_checkpoints')
         if elem is None:
@@ -2214,6 +2221,7 @@ class Settings:
         self._create_log_grid_bins_subelement(element)
         self._create_write_initial_source_subelement(element)
         self._create_weight_windows_subelement(element, mesh_memo)
+        self._create_weight_windows_on_subelement(element)
         self._create_weight_window_generators_subelement(element, mesh_memo)
         self._create_weight_windows_file_element(element)
         self._create_weight_window_checkpoints_subelement(element)
@@ -2324,6 +2332,8 @@ class Settings:
         settings._log_grid_bins_from_xml_element(elem)
         settings._write_initial_source_from_xml_element(elem)
         settings._weight_windows_from_xml_element(elem, meshes)
+        settings._weight_windows_on_from_xml_element(elem)
+        settings._weight_windows_file_from_xml_element(elem)
         settings._weight_window_generators_from_xml_element(elem, meshes)
         settings._weight_window_checkpoints_from_xml_element(elem)
         settings._max_history_splits_from_xml_element(elem)

From 7806703c2614853be2d2ce49860e673e208145da Mon Sep 17 00:00:00 2001
From: Copilot <198982749+Copilot@users.noreply.github.com>
Date: Thu, 2 Oct 2025 22:52:39 +0000
Subject: [PATCH 2405/2654] Fix random ray source region mesh export when using
 model.export_to_xml() (#3579)

Co-authored-by: copilot-swe-agent[bot] <198982749+Copilot@users.noreply.github.com>
Co-authored-by: jtramm <1009059+jtramm@users.noreply.github.com>
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/settings.py                            | 20 +++++++++++----
 .../inputs_true.dat                           |  4 +--
 .../random_ray_adjoint_k_eff/inputs_true.dat  |  4 +--
 .../cell/inputs_true.dat                      |  2 +-
 .../material/inputs_true.dat                  |  2 +-
 .../universe/inputs_true.dat                  |  2 +-
 .../linear/inputs_true.dat                    |  2 +-
 .../linear_xy/inputs_true.dat                 |  2 +-
 .../flat/inputs_true.dat                      |  2 +-
 .../linear/inputs_true.dat                    |  2 +-
 .../False/inputs_true.dat                     |  2 +-
 .../True/inputs_true.dat                      |  2 +-
 .../flat/inputs_true.dat                      |  2 +-
 .../linear_xy/inputs_true.dat                 |  2 +-
 .../random_ray_halton_samples/inputs_true.dat |  2 +-
 .../random_ray_k_eff/inputs_true.dat          |  2 +-
 .../random_ray_k_eff_mesh/inputs_true.dat     |  2 +-
 .../random_ray_linear/linear/inputs_true.dat  |  2 +-
 .../linear_xy/inputs_true.dat                 |  2 +-
 .../random_ray_low_density/inputs_true.dat    |  2 +-
 .../inputs_true.dat                           |  2 +-
 .../random_ray_void/flat/inputs_true.dat      |  2 +-
 .../random_ray_void/linear/inputs_true.dat    |  2 +-
 .../hybrid/inputs_true.dat                    |  2 +-
 .../naive/inputs_true.dat                     |  2 +-
 .../simulation_averaged/inputs_true.dat       |  2 +-
 .../hybrid/inputs_true.dat                    |  2 +-
 .../naive/inputs_true.dat                     |  2 +-
 .../simulation_averaged/inputs_true.dat       |  2 +-
 .../weightwindows_fw_cadis/inputs_true.dat    |  2 +-
 .../flat/inputs_true.dat                      |  2 +-
 .../linear/inputs_true.dat                    |  2 +-
 tests/unit_tests/test_settings.py             | 25 ++++++++++++++++++-
 33 files changed, 72 insertions(+), 39 deletions(-)

diff --git a/openmc/settings.py b/openmc/settings.py
index dc6fa99f9..8f8aedc93 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -1715,9 +1715,15 @@ class Settings:
                             domain_elem = ET.SubElement(mesh_elem, 'domain')
                             domain_elem.set('id', str(domain.id))
                             domain_elem.set('type', domain.__class__.__name__.lower())
-                        if mesh_memo is not None and mesh.id not in mesh_memo:
+                        # See if a <mesh> element already exists -- if not, add it
+                        path = f"./mesh[@id='{mesh.id}']"
+                        if root.find(path) is None:
                             root.append(mesh.to_xml_element())
-                            mesh_memo.add(mesh.id)
+                            if mesh_memo is not None:
+                                mesh_memo.add(mesh.id)
+                elif isinstance(value, bool):
+                    subelement = ET.SubElement(element, key)
+                    subelement.text = str(value).lower()
                 else:
                     subelement = ET.SubElement(element, key)
                     subelement.text = str(value)
@@ -2110,7 +2116,7 @@ class Settings:
         if text is not None:
             self.max_tracks = int(text)
 
-    def _random_ray_from_xml_element(self, root):
+    def _random_ray_from_xml_element(self, root, meshes=None):
         elem = root.find('random_ray')
         if elem is not None:
             self.random_ray = {}
@@ -2137,7 +2143,11 @@ class Settings:
                 elif child.tag == 'source_region_meshes':
                     self.random_ray['source_region_meshes'] = []
                     for mesh_elem in child.findall('mesh'):
-                        mesh = MeshBase.from_xml_element(mesh_elem)
+                        mesh_id = int(get_text(mesh_elem, 'id'))
+                        if meshes and mesh_id in meshes:
+                            mesh = meshes[mesh_id]
+                        else:
+                            mesh = MeshBase.from_xml_element(mesh_elem)
                         domains = []
                         for domain_elem in mesh_elem.findall('domain'):
                             domain_id = int(get_text(domain_elem, "id"))
@@ -2339,7 +2349,7 @@ class Settings:
         settings._max_history_splits_from_xml_element(elem)
         settings._max_tracks_from_xml_element(elem)
         settings._max_secondaries_from_xml_element(elem)
-        settings._random_ray_from_xml_element(elem)
+        settings._random_ray_from_xml_element(elem, meshes)
         settings._use_decay_photons_from_xml_element(elem)
         settings._source_rejection_fraction_from_xml_element(elem)
 
diff --git a/tests/regression_tests/random_ray_adjoint_fixed_source/inputs_true.dat b/tests/regression_tests/random_ray_adjoint_fixed_source/inputs_true.dat
index 30e62a885..0adfc5488 100644
--- a/tests/regression_tests/random_ray_adjoint_fixed_source/inputs_true.dat
+++ b/tests/regression_tests/random_ray_adjoint_fixed_source/inputs_true.dat
@@ -212,8 +212,8 @@
           <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
         </space>
       </source>
-      <volume_normalized_flux_tallies>True</volume_normalized_flux_tallies>
-      <adjoint>True</adjoint>
+      <volume_normalized_flux_tallies>true</volume_normalized_flux_tallies>
+      <adjoint>true</adjoint>
       <volume_estimator>naive</volume_estimator>
     </random_ray>
   </settings>
diff --git a/tests/regression_tests/random_ray_adjoint_k_eff/inputs_true.dat b/tests/regression_tests/random_ray_adjoint_k_eff/inputs_true.dat
index cd4e92aa1..073348c41 100644
--- a/tests/regression_tests/random_ray_adjoint_k_eff/inputs_true.dat
+++ b/tests/regression_tests/random_ray_adjoint_k_eff/inputs_true.dat
@@ -85,8 +85,8 @@
           <parameters>-1.26 -1.26 -1 1.26 1.26 1</parameters>
         </space>
       </source>
-      <volume_normalized_flux_tallies>True</volume_normalized_flux_tallies>
-      <adjoint>True</adjoint>
+      <volume_normalized_flux_tallies>true</volume_normalized_flux_tallies>
+      <adjoint>true</adjoint>
     </random_ray>
   </settings>
   <tallies>
diff --git a/tests/regression_tests/random_ray_fixed_source_domain/cell/inputs_true.dat b/tests/regression_tests/random_ray_fixed_source_domain/cell/inputs_true.dat
index 4b8af76aa..9f1987f3a 100644
--- a/tests/regression_tests/random_ray_fixed_source_domain/cell/inputs_true.dat
+++ b/tests/regression_tests/random_ray_fixed_source_domain/cell/inputs_true.dat
@@ -212,7 +212,7 @@
           <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
         </space>
       </source>
-      <volume_normalized_flux_tallies>True</volume_normalized_flux_tallies>
+      <volume_normalized_flux_tallies>true</volume_normalized_flux_tallies>
     </random_ray>
   </settings>
   <tallies>
diff --git a/tests/regression_tests/random_ray_fixed_source_domain/material/inputs_true.dat b/tests/regression_tests/random_ray_fixed_source_domain/material/inputs_true.dat
index 82fe48b61..b4f57dbfa 100644
--- a/tests/regression_tests/random_ray_fixed_source_domain/material/inputs_true.dat
+++ b/tests/regression_tests/random_ray_fixed_source_domain/material/inputs_true.dat
@@ -212,7 +212,7 @@
           <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
         </space>
       </source>
-      <volume_normalized_flux_tallies>True</volume_normalized_flux_tallies>
+      <volume_normalized_flux_tallies>true</volume_normalized_flux_tallies>
     </random_ray>
   </settings>
   <tallies>
diff --git a/tests/regression_tests/random_ray_fixed_source_domain/universe/inputs_true.dat b/tests/regression_tests/random_ray_fixed_source_domain/universe/inputs_true.dat
index c4fd06f42..ab91f74e5 100644
--- a/tests/regression_tests/random_ray_fixed_source_domain/universe/inputs_true.dat
+++ b/tests/regression_tests/random_ray_fixed_source_domain/universe/inputs_true.dat
@@ -212,7 +212,7 @@
           <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
         </space>
       </source>
-      <volume_normalized_flux_tallies>True</volume_normalized_flux_tallies>
+      <volume_normalized_flux_tallies>true</volume_normalized_flux_tallies>
     </random_ray>
   </settings>
   <tallies>
diff --git a/tests/regression_tests/random_ray_fixed_source_linear/linear/inputs_true.dat b/tests/regression_tests/random_ray_fixed_source_linear/linear/inputs_true.dat
index 4085b0c7a..220fa7db6 100644
--- a/tests/regression_tests/random_ray_fixed_source_linear/linear/inputs_true.dat
+++ b/tests/regression_tests/random_ray_fixed_source_linear/linear/inputs_true.dat
@@ -212,7 +212,7 @@
           <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
         </space>
       </source>
-      <volume_normalized_flux_tallies>True</volume_normalized_flux_tallies>
+      <volume_normalized_flux_tallies>true</volume_normalized_flux_tallies>
       <source_shape>linear</source_shape>
     </random_ray>
   </settings>
diff --git a/tests/regression_tests/random_ray_fixed_source_linear/linear_xy/inputs_true.dat b/tests/regression_tests/random_ray_fixed_source_linear/linear_xy/inputs_true.dat
index ff085d2fb..f8c443085 100644
--- a/tests/regression_tests/random_ray_fixed_source_linear/linear_xy/inputs_true.dat
+++ b/tests/regression_tests/random_ray_fixed_source_linear/linear_xy/inputs_true.dat
@@ -212,7 +212,7 @@
           <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
         </space>
       </source>
-      <volume_normalized_flux_tallies>True</volume_normalized_flux_tallies>
+      <volume_normalized_flux_tallies>true</volume_normalized_flux_tallies>
       <source_shape>linear_xy</source_shape>
     </random_ray>
   </settings>
diff --git a/tests/regression_tests/random_ray_fixed_source_mesh/flat/inputs_true.dat b/tests/regression_tests/random_ray_fixed_source_mesh/flat/inputs_true.dat
index 12c4d74ed..c84e544fc 100644
--- a/tests/regression_tests/random_ray_fixed_source_mesh/flat/inputs_true.dat
+++ b/tests/regression_tests/random_ray_fixed_source_mesh/flat/inputs_true.dat
@@ -212,7 +212,7 @@
           <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
         </space>
       </source>
-      <volume_normalized_flux_tallies>True</volume_normalized_flux_tallies>
+      <volume_normalized_flux_tallies>true</volume_normalized_flux_tallies>
       <source_region_meshes>
         <mesh id="1">
           <domain id="1" type="universe"/>
diff --git a/tests/regression_tests/random_ray_fixed_source_mesh/linear/inputs_true.dat b/tests/regression_tests/random_ray_fixed_source_mesh/linear/inputs_true.dat
index 07adb1ff5..05c4846e6 100644
--- a/tests/regression_tests/random_ray_fixed_source_mesh/linear/inputs_true.dat
+++ b/tests/regression_tests/random_ray_fixed_source_mesh/linear/inputs_true.dat
@@ -212,7 +212,7 @@
           <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
         </space>
       </source>
-      <volume_normalized_flux_tallies>True</volume_normalized_flux_tallies>
+      <volume_normalized_flux_tallies>true</volume_normalized_flux_tallies>
       <source_region_meshes>
         <mesh id="1">
           <domain id="1" type="universe"/>
diff --git a/tests/regression_tests/random_ray_fixed_source_normalization/False/inputs_true.dat b/tests/regression_tests/random_ray_fixed_source_normalization/False/inputs_true.dat
index ab077ae8a..0c870e100 100644
--- a/tests/regression_tests/random_ray_fixed_source_normalization/False/inputs_true.dat
+++ b/tests/regression_tests/random_ray_fixed_source_normalization/False/inputs_true.dat
@@ -212,7 +212,7 @@
           <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
         </space>
       </source>
-      <volume_normalized_flux_tallies>False</volume_normalized_flux_tallies>
+      <volume_normalized_flux_tallies>false</volume_normalized_flux_tallies>
     </random_ray>
   </settings>
   <tallies>
diff --git a/tests/regression_tests/random_ray_fixed_source_normalization/True/inputs_true.dat b/tests/regression_tests/random_ray_fixed_source_normalization/True/inputs_true.dat
index c4fd06f42..ab91f74e5 100644
--- a/tests/regression_tests/random_ray_fixed_source_normalization/True/inputs_true.dat
+++ b/tests/regression_tests/random_ray_fixed_source_normalization/True/inputs_true.dat
@@ -212,7 +212,7 @@
           <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
         </space>
       </source>
-      <volume_normalized_flux_tallies>True</volume_normalized_flux_tallies>
+      <volume_normalized_flux_tallies>true</volume_normalized_flux_tallies>
     </random_ray>
   </settings>
   <tallies>
diff --git a/tests/regression_tests/random_ray_fixed_source_subcritical/flat/inputs_true.dat b/tests/regression_tests/random_ray_fixed_source_subcritical/flat/inputs_true.dat
index a124b5e3c..0c05a71df 100644
--- a/tests/regression_tests/random_ray_fixed_source_subcritical/flat/inputs_true.dat
+++ b/tests/regression_tests/random_ray_fixed_source_subcritical/flat/inputs_true.dat
@@ -115,7 +115,7 @@
           <parameters>-1.26 -1.26 -1 1.26 1.26 1</parameters>
         </space>
       </source>
-      <volume_normalized_flux_tallies>False</volume_normalized_flux_tallies>
+      <volume_normalized_flux_tallies>false</volume_normalized_flux_tallies>
       <source_shape>flat</source_shape>
     </random_ray>
   </settings>
diff --git a/tests/regression_tests/random_ray_fixed_source_subcritical/linear_xy/inputs_true.dat b/tests/regression_tests/random_ray_fixed_source_subcritical/linear_xy/inputs_true.dat
index cc557afb6..a67495bf1 100644
--- a/tests/regression_tests/random_ray_fixed_source_subcritical/linear_xy/inputs_true.dat
+++ b/tests/regression_tests/random_ray_fixed_source_subcritical/linear_xy/inputs_true.dat
@@ -115,7 +115,7 @@
           <parameters>-1.26 -1.26 -1 1.26 1.26 1</parameters>
         </space>
       </source>
-      <volume_normalized_flux_tallies>False</volume_normalized_flux_tallies>
+      <volume_normalized_flux_tallies>false</volume_normalized_flux_tallies>
       <source_shape>linear_xy</source_shape>
     </random_ray>
   </settings>
diff --git a/tests/regression_tests/random_ray_halton_samples/inputs_true.dat b/tests/regression_tests/random_ray_halton_samples/inputs_true.dat
index 3f058e45c..36d5f6f22 100644
--- a/tests/regression_tests/random_ray_halton_samples/inputs_true.dat
+++ b/tests/regression_tests/random_ray_halton_samples/inputs_true.dat
@@ -85,7 +85,7 @@
           <parameters>-1.26 -1.26 -1 1.26 1.26 1</parameters>
         </space>
       </source>
-      <volume_normalized_flux_tallies>True</volume_normalized_flux_tallies>
+      <volume_normalized_flux_tallies>true</volume_normalized_flux_tallies>
       <sample_method>halton</sample_method>
     </random_ray>
   </settings>
diff --git a/tests/regression_tests/random_ray_k_eff/inputs_true.dat b/tests/regression_tests/random_ray_k_eff/inputs_true.dat
index 33c9cac33..545bd1d45 100644
--- a/tests/regression_tests/random_ray_k_eff/inputs_true.dat
+++ b/tests/regression_tests/random_ray_k_eff/inputs_true.dat
@@ -85,7 +85,7 @@
           <parameters>-1.26 -1.26 -1 1.26 1.26 1</parameters>
         </space>
       </source>
-      <volume_normalized_flux_tallies>True</volume_normalized_flux_tallies>
+      <volume_normalized_flux_tallies>true</volume_normalized_flux_tallies>
     </random_ray>
   </settings>
   <tallies>
diff --git a/tests/regression_tests/random_ray_k_eff_mesh/inputs_true.dat b/tests/regression_tests/random_ray_k_eff_mesh/inputs_true.dat
index f0822d9f9..98badea18 100644
--- a/tests/regression_tests/random_ray_k_eff_mesh/inputs_true.dat
+++ b/tests/regression_tests/random_ray_k_eff_mesh/inputs_true.dat
@@ -85,7 +85,7 @@
           <parameters>-1.26 -1.26 -1 1.26 1.26 1</parameters>
         </space>
       </source>
-      <volume_normalized_flux_tallies>True</volume_normalized_flux_tallies>
+      <volume_normalized_flux_tallies>true</volume_normalized_flux_tallies>
       <source_region_meshes>
         <mesh id="2">
           <domain id="7" type="universe"/>
diff --git a/tests/regression_tests/random_ray_linear/linear/inputs_true.dat b/tests/regression_tests/random_ray_linear/linear/inputs_true.dat
index 006996557..a43a66e71 100644
--- a/tests/regression_tests/random_ray_linear/linear/inputs_true.dat
+++ b/tests/regression_tests/random_ray_linear/linear/inputs_true.dat
@@ -85,7 +85,7 @@
           <parameters>-1.26 -1.26 -1 1.26 1.26 1</parameters>
         </space>
       </source>
-      <volume_normalized_flux_tallies>True</volume_normalized_flux_tallies>
+      <volume_normalized_flux_tallies>true</volume_normalized_flux_tallies>
       <source_shape>linear</source_shape>
     </random_ray>
   </settings>
diff --git a/tests/regression_tests/random_ray_linear/linear_xy/inputs_true.dat b/tests/regression_tests/random_ray_linear/linear_xy/inputs_true.dat
index 81527c479..7f76f2fd1 100644
--- a/tests/regression_tests/random_ray_linear/linear_xy/inputs_true.dat
+++ b/tests/regression_tests/random_ray_linear/linear_xy/inputs_true.dat
@@ -85,7 +85,7 @@
           <parameters>-1.26 -1.26 -1 1.26 1.26 1</parameters>
         </space>
       </source>
-      <volume_normalized_flux_tallies>True</volume_normalized_flux_tallies>
+      <volume_normalized_flux_tallies>true</volume_normalized_flux_tallies>
       <source_shape>linear_xy</source_shape>
     </random_ray>
   </settings>
diff --git a/tests/regression_tests/random_ray_low_density/inputs_true.dat b/tests/regression_tests/random_ray_low_density/inputs_true.dat
index c4fd06f42..ab91f74e5 100644
--- a/tests/regression_tests/random_ray_low_density/inputs_true.dat
+++ b/tests/regression_tests/random_ray_low_density/inputs_true.dat
@@ -212,7 +212,7 @@
           <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
         </space>
       </source>
-      <volume_normalized_flux_tallies>True</volume_normalized_flux_tallies>
+      <volume_normalized_flux_tallies>true</volume_normalized_flux_tallies>
     </random_ray>
   </settings>
   <tallies>
diff --git a/tests/regression_tests/random_ray_point_source_locator/inputs_true.dat b/tests/regression_tests/random_ray_point_source_locator/inputs_true.dat
index 82ad979da..088f803bf 100644
--- a/tests/regression_tests/random_ray_point_source_locator/inputs_true.dat
+++ b/tests/regression_tests/random_ray_point_source_locator/inputs_true.dat
@@ -211,7 +211,7 @@
           <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
         </space>
       </source>
-      <volume_normalized_flux_tallies>True</volume_normalized_flux_tallies>
+      <volume_normalized_flux_tallies>true</volume_normalized_flux_tallies>
       <source_region_meshes>
         <mesh id="1">
           <domain id="6" type="universe"/>
diff --git a/tests/regression_tests/random_ray_void/flat/inputs_true.dat b/tests/regression_tests/random_ray_void/flat/inputs_true.dat
index ea8c22f0b..aa28e7b68 100644
--- a/tests/regression_tests/random_ray_void/flat/inputs_true.dat
+++ b/tests/regression_tests/random_ray_void/flat/inputs_true.dat
@@ -212,7 +212,7 @@
           <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
         </space>
       </source>
-      <volume_normalized_flux_tallies>True</volume_normalized_flux_tallies>
+      <volume_normalized_flux_tallies>true</volume_normalized_flux_tallies>
       <source_shape>flat</source_shape>
     </random_ray>
   </settings>
diff --git a/tests/regression_tests/random_ray_void/linear/inputs_true.dat b/tests/regression_tests/random_ray_void/linear/inputs_true.dat
index a089604ef..e4b2f22fa 100644
--- a/tests/regression_tests/random_ray_void/linear/inputs_true.dat
+++ b/tests/regression_tests/random_ray_void/linear/inputs_true.dat
@@ -212,7 +212,7 @@
           <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
         </space>
       </source>
-      <volume_normalized_flux_tallies>True</volume_normalized_flux_tallies>
+      <volume_normalized_flux_tallies>true</volume_normalized_flux_tallies>
       <source_shape>linear</source_shape>
     </random_ray>
   </settings>
diff --git a/tests/regression_tests/random_ray_volume_estimator/hybrid/inputs_true.dat b/tests/regression_tests/random_ray_volume_estimator/hybrid/inputs_true.dat
index 089534d74..8e8a8ed9b 100644
--- a/tests/regression_tests/random_ray_volume_estimator/hybrid/inputs_true.dat
+++ b/tests/regression_tests/random_ray_volume_estimator/hybrid/inputs_true.dat
@@ -212,7 +212,7 @@
           <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
         </space>
       </source>
-      <volume_normalized_flux_tallies>True</volume_normalized_flux_tallies>
+      <volume_normalized_flux_tallies>true</volume_normalized_flux_tallies>
       <volume_estimator>hybrid</volume_estimator>
     </random_ray>
   </settings>
diff --git a/tests/regression_tests/random_ray_volume_estimator/naive/inputs_true.dat b/tests/regression_tests/random_ray_volume_estimator/naive/inputs_true.dat
index 56507df04..1e25b97da 100644
--- a/tests/regression_tests/random_ray_volume_estimator/naive/inputs_true.dat
+++ b/tests/regression_tests/random_ray_volume_estimator/naive/inputs_true.dat
@@ -212,7 +212,7 @@
           <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
         </space>
       </source>
-      <volume_normalized_flux_tallies>True</volume_normalized_flux_tallies>
+      <volume_normalized_flux_tallies>true</volume_normalized_flux_tallies>
       <volume_estimator>naive</volume_estimator>
     </random_ray>
   </settings>
diff --git a/tests/regression_tests/random_ray_volume_estimator/simulation_averaged/inputs_true.dat b/tests/regression_tests/random_ray_volume_estimator/simulation_averaged/inputs_true.dat
index 0331b562c..78c162697 100644
--- a/tests/regression_tests/random_ray_volume_estimator/simulation_averaged/inputs_true.dat
+++ b/tests/regression_tests/random_ray_volume_estimator/simulation_averaged/inputs_true.dat
@@ -212,7 +212,7 @@
           <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
         </space>
       </source>
-      <volume_normalized_flux_tallies>True</volume_normalized_flux_tallies>
+      <volume_normalized_flux_tallies>true</volume_normalized_flux_tallies>
       <volume_estimator>simulation_averaged</volume_estimator>
     </random_ray>
   </settings>
diff --git a/tests/regression_tests/random_ray_volume_estimator_linear/hybrid/inputs_true.dat b/tests/regression_tests/random_ray_volume_estimator_linear/hybrid/inputs_true.dat
index 343833210..47a8a7182 100644
--- a/tests/regression_tests/random_ray_volume_estimator_linear/hybrid/inputs_true.dat
+++ b/tests/regression_tests/random_ray_volume_estimator_linear/hybrid/inputs_true.dat
@@ -212,7 +212,7 @@
           <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
         </space>
       </source>
-      <volume_normalized_flux_tallies>True</volume_normalized_flux_tallies>
+      <volume_normalized_flux_tallies>true</volume_normalized_flux_tallies>
       <source_shape>linear</source_shape>
       <volume_estimator>hybrid</volume_estimator>
     </random_ray>
diff --git a/tests/regression_tests/random_ray_volume_estimator_linear/naive/inputs_true.dat b/tests/regression_tests/random_ray_volume_estimator_linear/naive/inputs_true.dat
index 50be43eb3..80a9ada4d 100644
--- a/tests/regression_tests/random_ray_volume_estimator_linear/naive/inputs_true.dat
+++ b/tests/regression_tests/random_ray_volume_estimator_linear/naive/inputs_true.dat
@@ -212,7 +212,7 @@
           <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
         </space>
       </source>
-      <volume_normalized_flux_tallies>True</volume_normalized_flux_tallies>
+      <volume_normalized_flux_tallies>true</volume_normalized_flux_tallies>
       <source_shape>linear</source_shape>
       <volume_estimator>naive</volume_estimator>
     </random_ray>
diff --git a/tests/regression_tests/random_ray_volume_estimator_linear/simulation_averaged/inputs_true.dat b/tests/regression_tests/random_ray_volume_estimator_linear/simulation_averaged/inputs_true.dat
index 3d64ab978..4f032a62a 100644
--- a/tests/regression_tests/random_ray_volume_estimator_linear/simulation_averaged/inputs_true.dat
+++ b/tests/regression_tests/random_ray_volume_estimator_linear/simulation_averaged/inputs_true.dat
@@ -212,7 +212,7 @@
           <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
         </space>
       </source>
-      <volume_normalized_flux_tallies>True</volume_normalized_flux_tallies>
+      <volume_normalized_flux_tallies>true</volume_normalized_flux_tallies>
       <source_shape>linear</source_shape>
       <volume_estimator>simulation_averaged</volume_estimator>
     </random_ray>
diff --git a/tests/regression_tests/weightwindows_fw_cadis/inputs_true.dat b/tests/regression_tests/weightwindows_fw_cadis/inputs_true.dat
index 448b4b145..5fa6505dd 100644
--- a/tests/regression_tests/weightwindows_fw_cadis/inputs_true.dat
+++ b/tests/regression_tests/weightwindows_fw_cadis/inputs_true.dat
@@ -227,7 +227,7 @@
           <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
         </space>
       </source>
-      <volume_normalized_flux_tallies>True</volume_normalized_flux_tallies>
+      <volume_normalized_flux_tallies>true</volume_normalized_flux_tallies>
       <volume_estimator>naive</volume_estimator>
     </random_ray>
   </settings>
diff --git a/tests/regression_tests/weightwindows_fw_cadis_mesh/flat/inputs_true.dat b/tests/regression_tests/weightwindows_fw_cadis_mesh/flat/inputs_true.dat
index d82aa6fae..ceb89e6e3 100644
--- a/tests/regression_tests/weightwindows_fw_cadis_mesh/flat/inputs_true.dat
+++ b/tests/regression_tests/weightwindows_fw_cadis_mesh/flat/inputs_true.dat
@@ -227,7 +227,7 @@
           <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
         </space>
       </source>
-      <volume_normalized_flux_tallies>True</volume_normalized_flux_tallies>
+      <volume_normalized_flux_tallies>true</volume_normalized_flux_tallies>
       <source_region_meshes>
         <mesh id="1">
           <domain id="6" type="universe"/>
diff --git a/tests/regression_tests/weightwindows_fw_cadis_mesh/linear/inputs_true.dat b/tests/regression_tests/weightwindows_fw_cadis_mesh/linear/inputs_true.dat
index 9e4b21d27..c7691e950 100644
--- a/tests/regression_tests/weightwindows_fw_cadis_mesh/linear/inputs_true.dat
+++ b/tests/regression_tests/weightwindows_fw_cadis_mesh/linear/inputs_true.dat
@@ -227,7 +227,7 @@
           <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
         </space>
       </source>
-      <volume_normalized_flux_tallies>True</volume_normalized_flux_tallies>
+      <volume_normalized_flux_tallies>true</volume_normalized_flux_tallies>
       <source_region_meshes>
         <mesh id="1">
           <domain id="6" type="universe"/>
diff --git a/tests/unit_tests/test_settings.py b/tests/unit_tests/test_settings.py
index 6611e4227..a6abca41a 100644
--- a/tests/unit_tests/test_settings.py
+++ b/tests/unit_tests/test_settings.py
@@ -59,12 +59,23 @@ def test_export_to_xml(run_in_tmpdir):
     s.electron_treatment = 'led'
     s.write_initial_source = True
     s.weight_window_checkpoints = {'surface': True, 'collision': False}
+    source_region_mesh = openmc.RegularMesh()
+    source_region_mesh.dimension = [2, 2, 2]
+    source_region_mesh.lower_left = [-2, -2, -2]
+    source_region_mesh.upper_right = [2, 2, 2]
+    root_universe = openmc.Universe()
     s.random_ray = {
         'distance_inactive': 10.0,
         'distance_active': 100.0,
         'ray_source': openmc.IndependentSource(
             space=openmc.stats.Box((-1., -1., -1.), (1., 1., 1.))
-        )
+        ),
+        'source_region_meshes': [(source_region_mesh, [root_universe])],
+        'volume_estimator': 'hybrid',
+        'source_shape': 'linear',
+        'volume_normalized_flux_tallies': True,
+        'adjoint': False,
+        'sample_method': 'halton'
     }
     s.max_particle_events = 100
     s.max_secondaries = 1_000_000
@@ -145,5 +156,17 @@ def test_export_to_xml(run_in_tmpdir):
     assert s.random_ray['distance_active'] == 100.0
     assert s.random_ray['ray_source'].space.lower_left == [-1., -1., -1.]
     assert s.random_ray['ray_source'].space.upper_right == [1., 1., 1.]
+    assert 'source_region_meshes' in s.random_ray
+    assert len(s.random_ray['source_region_meshes']) == 1
+    mesh_and_domains = s.random_ray['source_region_meshes'][0]
+    recovered_mesh = mesh_and_domains[0]
+    assert recovered_mesh.dimension == (2, 2, 2)
+    assert recovered_mesh.lower_left == [-2., -2., -2.]
+    assert recovered_mesh.upper_right == [2., 2., 2.]
+    assert s.random_ray['volume_estimator'] == 'hybrid'
+    assert s.random_ray['source_shape'] == 'linear'
+    assert s.random_ray['volume_normalized_flux_tallies']
+    assert not s.random_ray['adjoint']
+    assert s.random_ray['sample_method'] == 'halton'
     assert s.max_secondaries == 1_000_000
     assert s.source_rejection_fraction == 0.01

From 8a62e7e3235f75810cf59fc80bd69951e0d99fda Mon Sep 17 00:00:00 2001
From: Thomas Kittelmann <tkittel@users.noreply.github.com>
Date: Fri, 3 Oct 2025 01:27:36 +0200
Subject: [PATCH 2406/2654] Fix caching issue when using NCrystal materials
 (#3538)

Co-authored-by: Jose Ignacio Marquez Damian <22483345+marquezj@users.noreply.github.com>
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 include/openmc/particle_data.h | 7 ++++---
 openmc/plotter.py              | 2 +-
 src/particle.cpp               | 4 +++-
 3 files changed, 8 insertions(+), 5 deletions(-)

diff --git a/include/openmc/particle_data.h b/include/openmc/particle_data.h
index afcd56476..5383487d4 100644
--- a/include/openmc/particle_data.h
+++ b/include/openmc/particle_data.h
@@ -154,9 +154,10 @@ struct NuclideMicroXS {
 
   // Energy and temperature last used to evaluate these cross sections.  If
   // these values have changed, then the cross sections must be re-evaluated.
-  double last_E {0.0};      //!< Last evaluated energy
-  double last_sqrtkT {0.0}; //!< Last temperature in sqrt(Boltzmann constant
-                            //!< * temperature (eV))
+  double last_E {0.0};       //!< Last evaluated energy
+  double last_sqrtkT {0.0};  //!< Last temperature in sqrt(Boltzmann constant
+                             //!< * temperature (eV))
+  double ncrystal_xs {-1.0}; //!< NCrystal cross section
 };
 
 //==============================================================================
diff --git a/openmc/plotter.py b/openmc/plotter.py
index 693cdaca4..abd8ab6dd 100644
--- a/openmc/plotter.py
+++ b/openmc/plotter.py
@@ -501,7 +501,7 @@ def _calculate_cexs_nuclide(this, types, temperature=294., sab_name=None,
                     elif ncrystal_cfg:
                         import NCrystal
                         nc_scatter = NCrystal.createScatter(ncrystal_cfg)
-                        nc_func = nc_scatter.crossSectionNonOriented
+                        nc_func = nc_scatter.xsect
                         nc_emax = 5 # eV # this should be obtained from NCRYSTAL_MAX_ENERGY
                         energy_grid = np.union1d(np.geomspace(min(energy_grid),
                                                               1.1*nc_emax,
diff --git a/src/particle.cpp b/src/particle.cpp
index 402af2498..06ccf462a 100644
--- a/src/particle.cpp
+++ b/src/particle.cpp
@@ -855,10 +855,12 @@ void Particle::update_neutron_xs(
 
   // If the cache doesn't match, recalculate micro xs
   if (this->E() != micro.last_E || this->sqrtkT() != micro.last_sqrtkT ||
-      i_sab != micro.index_sab || sab_frac != micro.sab_frac) {
+      i_sab != micro.index_sab || sab_frac != micro.sab_frac ||
+      ncrystal_xs != micro.ncrystal_xs) {
     data::nuclides[i_nuclide]->calculate_xs(i_sab, i_grid, sab_frac, *this);
 
     // If NCrystal is being used, update micro cross section cache
+    micro.ncrystal_xs = ncrystal_xs;
     if (ncrystal_xs >= 0.0) {
       data::nuclides[i_nuclide]->calculate_elastic_xs(*this);
       ncrystal_update_micro(ncrystal_xs, micro);

From 50071aa3bd29b78f28fe4c8efe211cb5f65778ee Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Fri, 3 Oct 2025 17:09:57 +0200
Subject: [PATCH 2407/2654] Speed up time correction factors (#3592)

Co-authored-by: Jon Shimwell <jon@proximafusion.com>
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/deplete/d1s.py | 13 +++++++------
 1 file changed, 7 insertions(+), 6 deletions(-)

diff --git a/openmc/deplete/d1s.py b/openmc/deplete/d1s.py
index 311bc2d69..f51dea416 100644
--- a/openmc/deplete/d1s.py
+++ b/openmc/deplete/d1s.py
@@ -108,14 +108,15 @@ def time_correction_factors(
     # Create a 2D array for the time correction factors
     h = np.zeros((n_timesteps, n_nuclides))
 
-    for i, (dt, rate) in enumerate(zip(timesteps, source_rates)):
-        # Precompute the exponential terms. Since (1 - exp(-x)) is susceptible to
-        # roundoff error, use expm1 instead (which computes exp(x) - 1)
-        g = np.exp(-decay_rate*dt)
-        one_minus_g = -np.expm1(-decay_rate*dt)
+    # Precompute all exponential terms with same shape as h
+    decay_dt = decay_rate[np.newaxis, :] * timesteps[:, np.newaxis]
+    g = np.exp(-decay_dt)
+    one_minus_g = -np.expm1(-decay_dt)
 
+    # Apply recurrence relation step by step
+    for i in range(len(timesteps)):
         # Eq. (4) in doi:10.1016/j.fusengdes.2019.111399
-        h[i + 1] = rate*one_minus_g + h[i]*g
+        h[i + 1] = source_rates[i] * one_minus_g[i] + h[i] * g[i]
 
     return {nuclides[i]: h[:, i] for i in range(n_nuclides)}
 

From 2c15480cc9f1f7407b2fecd8b47a56f976b7bd02 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Mon, 6 Oct 2025 07:45:26 -0500
Subject: [PATCH 2408/2654] Add user setting for free gas threshold (#3593)

---
 docs/source/io_formats/settings.rst | 10 ++++++++++
 include/openmc/physics.h            |  7 -------
 include/openmc/settings.h           |  2 ++
 openmc/settings.py                  | 28 ++++++++++++++++++++++++++++
 src/finalize.cpp                    |  1 +
 src/physics.cpp                     |  2 +-
 src/settings.cpp                    |  5 +++++
 tests/unit_tests/test_settings.py   |  2 ++
 8 files changed, 49 insertions(+), 8 deletions(-)

diff --git a/docs/source/io_formats/settings.rst b/docs/source/io_formats/settings.rst
index 26673faac..720846c85 100644
--- a/docs/source/io_formats/settings.rst
+++ b/docs/source/io_formats/settings.rst
@@ -178,6 +178,16 @@ history-based parallelism.
 
   *Default*: false
 
+--------------------------------
+``<free_gas_threshold>`` Element
+--------------------------------
+
+The ``<free_gas_threshold>`` element specifies the energy multiplier, expressed
+in units of :math:`kT`, that determines when the free gas scattering approach is
+used for elastic scattering. Values must be positive.
+
+  *Default*: 400.0
+
 -----------------------------------
 ``<generations_per_batch>`` Element
 -----------------------------------
diff --git a/include/openmc/physics.h b/include/openmc/physics.h
index f62f43a02..2472d9799 100644
--- a/include/openmc/physics.h
+++ b/include/openmc/physics.h
@@ -10,13 +10,6 @@
 
 namespace openmc {
 
-//==============================================================================
-// Constants
-//==============================================================================
-
-// Monoatomic ideal-gas scattering treatment threshold
-constexpr double FREE_GAS_THRESHOLD {400.0};
-
 //==============================================================================
 // Non-member functions
 //==============================================================================
diff --git a/include/openmc/settings.h b/include/openmc/settings.h
index 999b1b83f..78bfa088e 100644
--- a/include/openmc/settings.h
+++ b/include/openmc/settings.h
@@ -147,6 +147,8 @@ extern std::unordered_set<int>
   source_write_surf_id; //!< Surface ids where sources will be written
 extern double source_rejection_fraction; //!< Minimum fraction of source sites
                                          //!< that must be accepted
+extern double free_gas_threshold;        //!< Threshold multiplier for free gas
+                                         //!< scattering treatment
 
 extern int
   max_history_splits; //!< maximum number of particle splits for weight windows
diff --git a/openmc/settings.py b/openmc/settings.py
index 8f8aedc93..2f8a2b124 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -84,6 +84,10 @@ class Settings:
         history-based parallelism.
 
         .. versionadded:: 0.12
+    free_gas_threshold : float
+        Energy multiplier (in units of :math:`kT`) below which the free gas
+        scattering treatment is applied for elastic scattering. If not
+        specified, a value of 400.0 is used.
     generations_per_batch : int
         Number of generations per batch
     ifp_n_generation : int
@@ -376,6 +380,7 @@ class Settings:
         self._seed = None
         self._stride = None
         self._survival_biasing = None
+        self._free_gas_threshold = None
 
         # Shannon entropy mesh
         self._entropy_mesh = None
@@ -1255,6 +1260,17 @@ class Settings:
         cv.check_less_than('source_rejection_fraction', source_rejection_fraction, 1)
         self._source_rejection_fraction = source_rejection_fraction
 
+    @property
+    def free_gas_threshold(self) -> float | None:
+        return self._free_gas_threshold
+
+    @free_gas_threshold.setter
+    def free_gas_threshold(self, free_gas_threshold: float | None):
+        if free_gas_threshold is not None:
+            cv.check_type('free gas threshold', free_gas_threshold, Real)
+            cv.check_greater_than('free gas threshold', free_gas_threshold, 0.0)
+        self._free_gas_threshold = free_gas_threshold
+
     def _create_run_mode_subelement(self, root):
         elem = ET.SubElement(root, "run_mode")
         elem.text = self._run_mode.value
@@ -1733,6 +1749,11 @@ class Settings:
             element = ET.SubElement(root, "source_rejection_fraction")
             element.text = str(self._source_rejection_fraction)
 
+    def _create_free_gas_threshold_subelement(self, root):
+        if self._free_gas_threshold is not None:
+            element = ET.SubElement(root, "free_gas_threshold")
+            element.text = str(self._free_gas_threshold)
+
     def _eigenvalue_from_xml_element(self, root):
         elem = root.find('eigenvalue')
         if elem is not None:
@@ -2171,6 +2192,11 @@ class Settings:
         if text is not None:
             self.source_rejection_fraction = float(text)
 
+    def _free_gas_threshold_from_xml_element(self, root):
+        text = get_text(root, 'free_gas_threshold')
+        if text is not None:
+            self.free_gas_threshold = float(text)
+
     def to_xml_element(self, mesh_memo=None):
         """Create a 'settings' element to be written to an XML file.
 
@@ -2241,6 +2267,7 @@ class Settings:
         self._create_random_ray_subelement(element, mesh_memo)
         self._create_use_decay_photons_subelement(element)
         self._create_source_rejection_fraction_subelement(element)
+        self._create_free_gas_threshold_subelement(element)
 
         # Clean the indentation in the file to be user-readable
         clean_indentation(element)
@@ -2352,6 +2379,7 @@ class Settings:
         settings._random_ray_from_xml_element(elem, meshes)
         settings._use_decay_photons_from_xml_element(elem)
         settings._source_rejection_fraction_from_xml_element(elem)
+        settings._free_gas_threshold_from_xml_element(elem)
 
         return settings
 
diff --git a/src/finalize.cpp b/src/finalize.cpp
index 25b471a8b..76babbb96 100644
--- a/src/finalize.cpp
+++ b/src/finalize.cpp
@@ -85,6 +85,7 @@ int openmc_finalize()
   settings::time_cutoff = {INFTY, INFTY, INFTY, INFTY};
   settings::entropy_on = false;
   settings::event_based = false;
+  settings::free_gas_threshold = 400.0;
   settings::gen_per_batch = 1;
   settings::legendre_to_tabular = true;
   settings::legendre_to_tabular_points = -1;
diff --git a/src/physics.cpp b/src/physics.cpp
index e947fecbb..3a17077b3 100644
--- a/src/physics.cpp
+++ b/src/physics.cpp
@@ -851,7 +851,7 @@ Direction sample_target_velocity(const Nuclide& nuc, double E, Direction u,
 
     // otherwise, use free gas model
   } else {
-    if (E >= FREE_GAS_THRESHOLD * kT && nuc.awr_ > 1.0) {
+    if (E >= settings::free_gas_threshold * kT && nuc.awr_ > 1.0) {
       return {};
     } else {
       sampling_method = ResScatMethod::cxs;
diff --git a/src/settings.cpp b/src/settings.cpp
index f9a2469db..325256cdc 100644
--- a/src/settings.cpp
+++ b/src/settings.cpp
@@ -126,6 +126,7 @@ SolverType solver_type {SolverType::MONTE_CARLO};
 std::unordered_set<int> sourcepoint_batch;
 std::unordered_set<int> statepoint_batch;
 double source_rejection_fraction {0.05};
+double free_gas_threshold {400.0};
 std::unordered_set<int> source_write_surf_id;
 int64_t ssw_max_particles;
 int64_t ssw_max_files;
@@ -651,6 +652,10 @@ void read_settings_xml(pugi::xml_node root)
       std::stod(get_node_value(root, "source_rejection_fraction"));
   }
 
+  if (check_for_node(root, "free_gas_threshold")) {
+    free_gas_threshold = std::stod(get_node_value(root, "free_gas_threshold"));
+  }
+
   // Survival biasing
   if (check_for_node(root, "survival_biasing")) {
     survival_biasing = get_node_value_bool(root, "survival_biasing");
diff --git a/tests/unit_tests/test_settings.py b/tests/unit_tests/test_settings.py
index a6abca41a..fe618fd2d 100644
--- a/tests/unit_tests/test_settings.py
+++ b/tests/unit_tests/test_settings.py
@@ -80,6 +80,7 @@ def test_export_to_xml(run_in_tmpdir):
     s.max_particle_events = 100
     s.max_secondaries = 1_000_000
     s.source_rejection_fraction = 0.01
+    s.free_gas_threshold = 800.0
 
     # Make sure exporting XML works
     s.export_to_xml()
@@ -170,3 +171,4 @@ def test_export_to_xml(run_in_tmpdir):
     assert s.random_ray['sample_method'] == 'halton'
     assert s.max_secondaries == 1_000_000
     assert s.source_rejection_fraction == 0.01
+    assert s.free_gas_threshold == 800.0

From 3dfa34d2c6a239cad327baa5565cd71f158fc299 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Mon, 6 Oct 2025 21:14:37 -0500
Subject: [PATCH 2409/2654] Switch to using coveralls github action for
 reporting (#3594)

---
 .github/workflows/ci.yml | 35 +++++++++++++++++++++++++++++++----
 pyproject.toml           |  4 ++--
 tools/ci/gha-script.sh   |  2 +-
 3 files changed, 34 insertions(+), 7 deletions(-)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index 38a49b602..d75a64d66 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -75,6 +75,7 @@ jobs:
       LIBMESH: ${{ matrix.libmesh }}
       NPY_DISABLE_CPU_FEATURES: "AVX512F AVX512_SKX"
       OPENBLAS_NUM_THREADS: 1
+      PYTEST_ADDOPTS: --cov=openmc --cov-report=lcov:coverage-python.lcov
       # libfabric complains about fork() as a result of using Python multiprocessing.
       # We can work around it with RDMAV_FORK_SAFE=1 in libfabric < 1.13 and with
       # FI_EFA_FORK_SAFE=1 in more recent versions.
@@ -171,11 +172,37 @@ jobs:
         uses: mxschmitt/action-tmate@v3
         timeout-minutes: 10
 
-      - name: after_success
+      - name: Generate C++ coverage (gcovr)
         shell: bash
         run: |
-          cpp-coveralls -i src -i include -e src/external --exclude-pattern "/usr/*" --dump cpp_cov.json
-          coveralls --merge=cpp_cov.json --service=github
+          # Produce LCOV directly from gcov data in the build tree
+          gcovr \
+            --root "$GITHUB_WORKSPACE" \
+            --object-directory "$GITHUB_WORKSPACE/build" \
+            --filter "$GITHUB_WORKSPACE/src" \
+            --filter "$GITHUB_WORKSPACE/include" \
+            --exclude "$GITHUB_WORKSPACE/src/external/.*" \
+            --exclude "$GITHUB_WORKSPACE/src/include/openmc/external/.*" \
+            --gcov-ignore-errors source_not_found \
+            --gcov-ignore-errors output_error \
+            --gcov-ignore-parse-errors suspicious_hits.warn \
+            --print-summary \
+            --lcov -o coverage-cpp.lcov || true
+
+      - name: Merge C++ and Python coverage
+        shell: bash
+        run: |
+          # Merge C++ and Python LCOV into a single file for upload
+          cat coverage-cpp.lcov coverage-python.lcov > coverage.lcov
+
+      - name: Upload coverage to Coveralls
+        if: ${{ hashFiles('coverage.lcov') != '' }}
+        uses: coverallsapp/github-action@v2
+        with:
+          github-token: ${{ secrets.GITHUB_TOKEN }}
+          parallel: true
+          flag-name: C++ and Python
+          path-to-lcov: coverage.lcov
 
   finish:
     needs: main
@@ -184,5 +211,5 @@ jobs:
       - name: Coveralls Finished
         uses: coverallsapp/github-action@v2
         with:
-          github-token: ${{ secrets.github_token }}
+          github-token: ${{ secrets.GITHUB_TOKEN }}
           parallel-finished: true
diff --git a/pyproject.toml b/pyproject.toml
index 7705de8da..53d429d94 100644
--- a/pyproject.toml
+++ b/pyproject.toml
@@ -48,8 +48,8 @@ docs = [
     "sphinxcontrib-svg2pdfconverter",
     "sphinx-rtd-theme"
 ]
-test = ["packaging", "pytest", "pytest-cov", "colorama", "openpyxl"]
-ci = ["cpp-coveralls", "coveralls"]
+test = ["packaging", "pytest", "pytest-cov>=4.0", "colorama", "openpyxl"]
+ci = ["coverage>=7.4", "gcovr>=7.2"]
 vtk = ["vtk"]
 
 [project.urls]
diff --git a/tools/ci/gha-script.sh b/tools/ci/gha-script.sh
index c1d292137..b40238ffb 100755
--- a/tools/ci/gha-script.sh
+++ b/tools/ci/gha-script.sh
@@ -15,7 +15,7 @@ if [[ $EVENT == 'y' ]]; then
 fi
 
 # Run unit tests and then regression tests
-pytest --cov=openmc -v $args \
+pytest -v $args \
   tests/test_matplotlib_import.py \
   tests/unit_tests \
   tests/regression_tests

From 58c7fbeac67a3e6db0e26a9dc2db421da3abf933 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 14 Oct 2025 07:47:26 -0500
Subject: [PATCH 2410/2654] Re-run flaky tests when needed (#3604)

---
 pyproject.toml                              |  9 ++++++++-
 tests/unit_tests/test_deplete_activation.py |  1 +
 tests/unit_tests/test_stats.py              | 10 ++++++++++
 3 files changed, 19 insertions(+), 1 deletion(-)

diff --git a/pyproject.toml b/pyproject.toml
index 53d429d94..2d67e8340 100644
--- a/pyproject.toml
+++ b/pyproject.toml
@@ -48,7 +48,14 @@ docs = [
     "sphinxcontrib-svg2pdfconverter",
     "sphinx-rtd-theme"
 ]
-test = ["packaging", "pytest", "pytest-cov>=4.0", "colorama", "openpyxl"]
+test = [
+    "packaging",
+    "pytest",
+    "pytest-cov>=4.0",
+    "pytest-rerunfailures",
+    "colorama",
+    "openpyxl",
+]
 ci = ["coverage>=7.4", "gcovr>=7.2"]
 vtk = ["vtk"]
 
diff --git a/tests/unit_tests/test_deplete_activation.py b/tests/unit_tests/test_deplete_activation.py
index cbe00d680..eace1976e 100644
--- a/tests/unit_tests/test_deplete_activation.py
+++ b/tests/unit_tests/test_deplete_activation.py
@@ -49,6 +49,7 @@ ENERGIES = np.logspace(log10(1e-5), log10(2e7), 100)
     ("flux", {'energies': ENERGIES, 'reactions': ['(n,gamma)']}, 1e-5),
     ("flux", {'energies': ENERGIES, 'reactions': ['(n,gamma)'], 'nuclides': ['W186', 'H3']}, 1e-2),
 ])
+@pytest.mark.flaky(reruns=1)
 def test_activation(run_in_tmpdir, model, reaction_rate_mode, reaction_rate_opts, tolerance):
     # Determine (n.gamma) reaction rate using initial run
     sp = model.run()
diff --git a/tests/unit_tests/test_stats.py b/tests/unit_tests/test_stats.py
index 386181f34..abf143f12 100644
--- a/tests/unit_tests/test_stats.py
+++ b/tests/unit_tests/test_stats.py
@@ -16,6 +16,7 @@ def assert_sample_mean(samples, expected_mean):
     assert np.abs(expected_mean - samples.mean()) < 4*std_dev
 
 
+@pytest.mark.flaky(reruns=1)
 def test_discrete():
     x = [0.0, 1.0, 10.0]
     p = [0.3, 0.2, 0.5]
@@ -104,6 +105,7 @@ def test_clip_discrete():
         d.clip(5)
 
 
+@pytest.mark.flaky(reruns=1)
 def test_uniform():
     a, b = 10.0, 20.0
     d = openmc.stats.Uniform(a, b)
@@ -127,6 +129,7 @@ def test_uniform():
     assert_sample_mean(samples, exp_mean)
 
 
+@pytest.mark.flaky(reruns=1)
 def test_powerlaw():
     a, b, n = 10.0, 100.0, 2.0
     d = openmc.stats.PowerLaw(a, b, n)
@@ -148,6 +151,7 @@ def test_powerlaw():
     assert_sample_mean(samples, exp_mean)
 
 
+@pytest.mark.flaky(reruns=1)
 def test_maxwell():
     theta = 1.2895e6
     d = openmc.stats.Maxwell(theta)
@@ -171,6 +175,7 @@ def test_maxwell():
     assert samples_2.mean() != samples.mean()
 
 
+@pytest.mark.flaky(reruns=1)
 def test_watt():
     a, b = 0.965e6, 2.29e-6
     d = openmc.stats.Watt(a, b)
@@ -194,6 +199,7 @@ def test_watt():
     assert_sample_mean(samples, exp_mean)
 
 
+@pytest.mark.flaky(reruns=1)
 def test_tabular():
     # test linear-linear sampling
     x = np.array([0.0, 5.0, 7.0, 10.0])
@@ -270,6 +276,7 @@ def test_legendre():
         d.to_xml_element('distribution')
 
 
+@pytest.mark.flaky(reruns=1)
 def test_mixture():
     d1 = openmc.stats.Uniform(0, 5)
     d2 = openmc.stats.Uniform(3, 7)
@@ -425,6 +432,7 @@ def test_point():
     assert d.xyz == pytest.approx(p)
 
 
+@pytest.mark.flaky(reruns=1)
 def test_normal():
     mean = 10.0
     std_dev = 2.0
@@ -444,6 +452,7 @@ def test_normal():
     assert_sample_mean(samples, mean)
 
 
+@pytest.mark.flaky(reruns=1)
 def test_muir():
     mean = 10.0
     mass = 5.0
@@ -463,6 +472,7 @@ def test_muir():
     assert_sample_mean(samples, mean)
 
 
+@pytest.mark.flaky(reruns=1)
 def test_combine_distributions():
     # Combine two discrete (same data as in test_merge_discrete)
     x1 = [0.0, 1.0, 10.0]

From e9077b1372fa1e3ee4adbcfcbfaeaf04a340c8dd Mon Sep 17 00:00:00 2001
From: jiankai-yu <jiankai.yu10@gmail.com>
Date: Tue, 14 Oct 2025 16:21:11 -0400
Subject: [PATCH 2411/2654] Allow V0 in atomic_mass function (for ENDF/B-VII.0
 data) (#3607)

---
 openmc/data/data.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/data/data.py b/openmc/data/data.py
index 2142a5dc9..5ecadd37b 100644
--- a/openmc/data/data.py
+++ b/openmc/data/data.py
@@ -324,7 +324,7 @@ def atomic_mass(isotope):
         # isotopes of their element (e.g. C0), calculate the atomic mass as
         # the sum of the atomic mass times the natural abundance of the isotopes
         # that make up the element.
-        for element in ['C', 'Zn', 'Pt', 'Os', 'Tl']:
+        for element in ['C', 'Zn', 'Pt', 'Os', 'Tl', 'V']:
             isotope_zero = element.lower() + '0'
             _ATOMIC_MASS[isotope_zero] = 0.
             for iso, abundance in isotopes(element):

From b94b49611365a7eb9bd1a107861e5ae5c44b977d Mon Sep 17 00:00:00 2001
From: GuySten <62616591+GuySten@users.noreply.github.com>
Date: Thu, 16 Oct 2025 01:51:59 +0200
Subject: [PATCH 2412/2654] Ability to source electron/positrons directly
 (#3404)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 .../methods/charged_particles_physics.rst     | 362 ++++++++++++++++++
 docs/source/methods/index.rst                 |   3 +-
 docs/source/methods/photon_physics.rst        | 338 ----------------
 include/openmc/nuclide.h                      |   4 +-
 openmc/source.py                              |   7 +-
 src/finalize.cpp                              |   4 +-
 src/nuclide.cpp                               |   4 +-
 src/particle.cpp                              |   2 +-
 src/simulation.cpp                            |  21 +-
 src/source.cpp                                |   6 +
 .../electron_heating/__init__.py              |   0
 .../electron_heating/inputs_true.dat          |  32 ++
 .../electron_heating/results_true.dat         |   3 +
 .../regression_tests/electron_heating/test.py |  40 ++
 14 files changed, 472 insertions(+), 354 deletions(-)
 create mode 100644 docs/source/methods/charged_particles_physics.rst
 create mode 100644 tests/regression_tests/electron_heating/__init__.py
 create mode 100644 tests/regression_tests/electron_heating/inputs_true.dat
 create mode 100644 tests/regression_tests/electron_heating/results_true.dat
 create mode 100644 tests/regression_tests/electron_heating/test.py

diff --git a/docs/source/methods/charged_particles_physics.rst b/docs/source/methods/charged_particles_physics.rst
new file mode 100644
index 000000000..5d763074f
--- /dev/null
+++ b/docs/source/methods/charged_particles_physics.rst
@@ -0,0 +1,362 @@
+.. _methods_charged_particle_physics:
+
+========================
+Charged Particle Physics
+========================
+
+OpenMC neglects the spatial transport of charged particles (electrons and
+positrons), assuming they deposit all their energy locally and produce
+bremsstrahlung photons at their birth location. This approximation, called
+thick-target bremsstrahlung (TTB) approximation is justified by the fact that
+charged particles have much shorter stopping ranges compared to neutrons and
+photons, especially in high-density materials.
+
+-----------------------------
+Charged Particle Interactions
+-----------------------------
+
+Bremsstrahlung
+--------------
+
+When a charged particle is decelerated in the field of an atom, some of its
+kinetic energy is converted into electromagnetic radiation known as
+bremsstrahlung, or 'braking radiation'. In each event, an electron or positron
+with kinetic energy :math:`T` generates a photon with an energy :math:`E`
+between :math:`0` and :math:`T`. Bremsstrahlung is described by a cross section
+that is differential in photon energy, in the direction of the emitted photon,
+and in the final direction of the charged particle. However, in Monte Carlo
+simulations it is typical to integrate over the angular variables to obtain a
+single differential cross section with respect to photon energy, which is often
+expressed in the form
+
+.. math::
+    :label: bremsstrahlung-dcs
+
+    \frac{d\sigma_{\text{br}}}{dE} = \frac{Z^2}{\beta^2} \frac{1}{E}
+    \chi(Z, T, \kappa),
+
+where :math:`\kappa = E/T` is the reduced photon energy and :math:`\chi(Z, T,
+\kappa)` is the scaled bremsstrahlung cross section, which is experimentally
+measured.
+
+Because electrons are attracted to atomic nuclei whereas positrons are
+repulsed, the cross section for positrons is smaller, though it approaches that
+of electrons in the high energy limit. To obtain the positron cross section, we
+multiply :eq:`bremsstrahlung-dcs` by the :math:`\kappa`-independent factor used
+in Salvat_,
+
+.. math::
+    :label: positron-factor
+
+    \begin{aligned}
+    F_{\text{p}}(Z,T) =
+    & 1 - \text{exp}(-1.2359\times 10^{-1}t + 6.1274\times 10^{-2}t^2 - 3.1516\times 10^{-2}t^3 \\
+    & + 7.7446\times 10^{-3}t^4 - 1.0595\times 10^{-3}t^5 + 7.0568\times 10^{-5}t^6 \\
+    & - 1.8080\times 10^{-6}t^7),
+    \end{aligned}
+
+where
+
+.. math::
+    :label: positron-factor-t
+
+    t = \ln\left(1 + \frac{10^6}{Z^2}\frac{T}{\text{m}_\text{e}c^2} \right).
+
+:math:`F_{\text{p}}(Z,T)` is the ratio of the radiative stopping powers for
+positrons and electrons. Stopping power describes the average energy loss per
+unit path length of a charged particle as it passes through matter:
+
+.. math::
+    :label: stopping-power
+
+    -\frac{dT}{ds} = n \int E \frac{d\sigma}{dE} dE \equiv S(T),
+
+where :math:`n` is the number density of the material and :math:`d\sigma/dE` is
+the cross section differential in energy loss. The total stopping power
+:math:`S(T)` can be separated into two components: the radiative stopping
+power :math:`S_{\text{rad}}(T)`, which refers to energy loss due to
+bremsstrahlung, and the collision stopping power :math:`S_{\text{col}}(T)`,
+which refers to the energy loss due to inelastic collisions with bound
+electrons in the material that result in ionization and excitation. The
+radiative stopping power for electrons is given by
+
+.. math::
+    :label: radiative-stopping-power
+
+    S_{\text{rad}}(T) = n \frac{Z^2}{\beta^2} T \int_0^1 \chi(Z,T,\kappa)
+    d\kappa.
+
+
+To obtain the radiative stopping power for positrons,
+:eq:`radiative-stopping-power`  is multiplied by :eq:`positron-factor`.
+
+While the models for photon interactions with matter described above can safely
+assume interactions occur with free atoms, sampling the target atom based on
+the macroscopic cross sections, molecular effects cannot necessarily be
+disregarded for charged particle treatment. For compounds and mixtures, the
+bremsstrahlung cross section is calculated using Bragg's additivity rule as
+
+.. math::
+    :label: material-bremsstrahlung-dcs
+
+    \frac{d\sigma_{\text{br}}}{dE} = \frac{1}{\beta^2 E} \sum_i \gamma_i Z^2_i
+    \chi(Z_i, T, \kappa),
+
+where the sum is over the constituent elements and :math:`\gamma_i` is the
+atomic fraction of the :math:`i`-th element. Similarly, the radiative stopping
+power is calculated using Bragg's additivity rule as
+
+.. math::
+    :label: material-radiative-stopping-power
+
+    S_{\text{rad}}(T) = \sum_i w_i S_{\text{rad},i}(T),
+
+where :math:`w_i` is the mass fraction of the :math:`i`-th element and
+:math:`S_{\text{rad},i}(T)` is found for element :math:`i` using
+:eq:`radiative-stopping-power`. The collision stopping power, however, is a
+function of certain quantities such as the mean excitation energy :math:`I` and
+the density effect correction :math:`\delta_F` that depend on molecular
+properties. These quantities cannot simply be summed over constituent elements
+in a compound, but should instead be calculated for the material. The Bethe
+formula can be used to find the collision stopping power of the material:
+
+.. math::
+    :label: material-collision-stopping-power
+
+    S_{\text{col}}(T) = \frac{2 \pi r_e^2 m_e c^2}{\beta^2} N_A \frac{Z}{A_M}
+    [\ln(T^2/I^2) + \ln(1 + \tau/2) + F(\tau) - \delta_F(T)],
+
+where :math:`N_A` is Avogadro's number, :math:`A_M` is the molar mass,
+:math:`\tau = T/m_e`, and :math:`F(\tau)` depends on the particle type. For
+electrons,
+
+.. math::
+    :label: F-electron
+
+    F_{-}(\tau) = (1 - \beta^2)[1 + \tau^2/8 - (2\tau + 1) \ln2],
+
+while for positrons
+
+.. math::
+    :label: F-positron
+
+    F_{+}(\tau) = 2\ln2 - (\beta^2/12)[23 + 14/(\tau + 2) + 10/(\tau + 2)^2 +
+    4/(\tau + 2)^3].
+
+The density effect correction :math:`\delta_F` takes into account the reduction
+of the collision stopping power due to the polarization of the material the
+charged particle is passing through by the electric field of the particle.
+It can be evaluated using the method described by Sternheimer_, where the
+equation for :math:`\delta_F` is
+
+.. math::
+    :label: density-effect-correction
+
+    \delta_F(\beta) = \sum_{i=1}^n f_i \ln[(l_i^2 + l^2)/l_i^2] -
+    l^2(1-\beta^2).
+
+Here, :math:`f_i` is the oscillator strength of the :math:`i`-th transition,
+given by :math:`f_i = n_i/Z`, where :math:`n_i` is the number of electrons in
+the :math:`i`-th subshell. The frequency :math:`l` is the solution of the
+equation
+
+.. math::
+    :label: density-effect-l
+
+    \frac{1}{\beta^2} - 1 = \sum_{i=1}^{n} \frac{f_i}{\bar{\nu}_i^2 + l^2},
+
+where :math:`\bar{v}_i` is defined as
+
+.. math::
+    :label: density-effect-nubar
+
+    \bar{\nu}_i = h\nu_i \rho / h\nu_p.
+
+The plasma energy :math:`h\nu_p` of the medium is given by
+
+.. math::
+    :label: plasma-frequency
+
+    h\nu_p = \sqrt{\frac{(hc)^2 r_e \rho_m N_A Z}{\pi A}},
+
+where :math:`A` is the atomic weight and :math:`\rho_m` is the density of the
+material. In :eq:`density-effect-nubar`, :math:`h\nu_i` is the oscillator
+energy, and :math:`\rho` is an adjustment factor introduced to give agreement
+between the experimental values of the oscillator energies and the mean
+excitation energy. The :math:`l_i` in :eq:`density-effect-correction` are
+defined as
+
+.. math::
+    :label: density-effect-li
+
+    \begin{aligned}
+    l_i &= (\bar{\nu}_i^2 + 2/3f_i)^{1/2} ~~~~&\text{for}~~ \bar{\nu}_i > 0 \\
+    l_n &= f_n^{1/2} ~~~~&\text{for}~~ \bar{\nu}_n = 0,
+    \end{aligned}
+
+where the second case applies to conduction electrons. For a conductor,
+:math:`f_n` is given by :math:`n_c/Z`, where :math:`n_c` is the effective
+number of conduction electrons, and :math:`v_n = 0`. The adjustment factor
+:math:`\rho` is determined using the equation for the mean excitation energy:
+
+.. math::
+    :label: mean-excitation-energy
+
+    \ln I = \sum_{i=1}^{n-1} f_i \ln[(h\nu_i\rho)^2 + 2/3f_i(h\nu_p)^2]^{1/2} +
+    f_n \ln (h\nu_pf_n^{1/2}).
+
+.. _ttb:
+
+
+Thick-Target Bremsstrahlung Approximation
++++++++++++++++++++++++++++++++++++++++++
+
+Since charged particles lose their energy on a much shorter distance scale than
+neutral particles, not much error should be introduced by neglecting to
+transport electrons. However, the bremsstrahlung emitted from high energy
+electrons and positrons can travel far from the interaction site. Thus, even
+without a full electron transport mode it is necessary to model bremsstrahlung.
+We use a thick-target bremsstrahlung (TTB) approximation based on the models in
+Salvat_ and Kaltiaisenaho_ for generating bremsstrahlung photons, which assumes
+the charged particle loses all its energy in a single homogeneous material
+region.
+
+To model bremsstrahlung using the TTB approximation, we need to know the number
+of photons emitted by the charged particle and the energy distribution of the
+photons. These quantities can be calculated using the continuous slowing down
+approximation (CSDA). The CSDA assumes charged particles lose energy
+continuously along their trajectory with a rate of energy loss equal to the
+total stopping power, ignoring fluctuations in the energy loss. The
+approximation is useful for expressing average quantities that describe how
+charged particles slow down in matter. For example, the CSDA range approximates
+the average path length a charged particle travels as it slows to rest:
+
+.. math::
+    :label: csda-range
+
+    R(T) = \int^T_0 \frac{dT'}{S(T')}.
+
+Actual path lengths will fluctuate around :math:`R(T)`. The average number of
+photons emitted per unit path length is given by the inverse bremsstrahlung
+mean free path:
+
+.. math::
+    :label: inverse-bremsstrahlung-mfp
+
+    \lambda_{\text{br}}^{-1}(T,E_{\text{cut}})
+    = n\int_{E_{\text{cut}}}^T\frac{d\sigma_{\text{br}}}{dE}dE
+    = n\frac{Z^2}{\beta^2}\int_{\kappa_{\text{cut}}}^1\frac{1}{\kappa}
+    \chi(Z,T,\kappa)d\kappa.
+
+The lower limit of the integral in :eq:`inverse-bremsstrahlung-mfp` is non-zero
+because the bremsstrahlung differential cross section diverges for small photon
+energies but is finite for photon energies above some cutoff energy
+:math:`E_{\text{cut}}`. The mean free path
+:math:`\lambda_{\text{br}}^{-1}(T,E_{\text{cut}})` is used to calculate the
+photon number yield, defined as the average number of photons emitted with
+energy greater than :math:`E_{\text{cut}}` as the charged particle slows down
+from energy :math:`T` to :math:`E_{\text{cut}}`. The photon number yield is
+given by
+
+.. math::
+    :label: photon-number-yield
+
+    Y(T,E_{\text{cut}}) = \int^{R(T)}_{R(E_{\text{cut}})}
+    \lambda_{\text{br}}^{-1}(T',E_{\text{cut}})ds = \int_{E_{\text{cut}}}^T
+    \frac{\lambda_{\text{br}}^{-1}(T',E_{\text{cut}})}{S(T')}dT'.
+
+:math:`Y(T,E_{\text{cut}})` can be used to construct the energy spectrum of
+bremsstrahlung photons: the number of photons created with energy between
+:math:`E_1` and :math:`E_2` by a charged particle with initial kinetic energy
+:math:`T` as it comes to rest is given by :math:`Y(T,E_1) - Y(T,E_2)`.
+
+To simulate the emission of bremsstrahlung photons, the total stopping power
+and bremsstrahlung differential cross section for positrons and electrons must
+be calculated for a given material using :eq:`material-bremsstrahlung-dcs` and
+:eq:`material-radiative-stopping-power`. These quantities are used to build the
+tabulated bremsstrahlung energy PDF and CDF for that material for each incident
+energy :math:`T_k` on the energy grid. The following algorithm is then applied
+to sample the photon energies:
+
+1. For an incident charged particle with energy :math:`T`, sample the number of
+   emitted photons as
+
+   .. math::
+
+       N = \lfloor Y(T,E_{\text{cut}}) + \xi_1 \rfloor.
+
+2. Rather than interpolate the PDF between indices :math:`k` and :math:`k+1`
+   for which :math:`T_k < T < T_{k+1}`, which is computationally expensive, use
+   the composition method and sample from the PDF at either :math:`k` or
+   :math:`k+1`. Using linear interpolation on a logarithmic scale, the PDF can
+   be expressed as
+
+   .. math::
+
+       p_{\text{br}}(T,E) = \pi_k p_{\text{br}}(T_k,E) + \pi_{k+1}
+       p_{\text{br}}(T_{k+1},E),
+
+   where the interpolation weights are
+
+   .. math::
+
+       \pi_k = \frac{\ln T_{k+1} - \ln T}{\ln T_{k+1} - \ln T_k},~~~
+       \pi_{k+1} = \frac{\ln T - \ln T_k}{\ln T_{k+1} - \ln T_k}.
+
+   Sample either the index :math:`i = k` or :math:`i = k+1` according to the
+   point probabilities :math:`\pi_{k}` and :math:`\pi_{k+1}`.
+
+3. Determine the maximum value of the CDF :math:`P_{\text{br,max}}`.
+
+3. Sample the photon energies using the inverse transform method with the
+   tabulated CDF :math:`P_{\text{br}}(T_i, E)` i.e.,
+
+   .. math::
+
+       E = E_j \left[ (1 + a_j) \frac{\xi_2 P_{\text{br,max}} -
+       P_{\text{br}}(T_i, E_j)} {E_j p_{\text{br}}(T_i, E_j)} + 1
+       \right]^{\frac{1}{1 + a_j}}
+
+   where the interpolation factor :math:`a_j` is given by
+
+   .. math::
+
+       a_j = \frac{\ln p_{\text{br}}(T_i,E_{j+1}) - \ln p_{\text{br}}(T_i,E_j)}
+       {\ln E_{j+1} - \ln E_j}
+
+   and :math:`P_{\text{br}}(T_i, E_j) \le \xi_2 P_{\text{br,max}} \le
+   P_{\text{br}}(T_i, E_{j+1})`.
+
+We ignore the range of the electron or positron, i.e., the bremsstrahlung
+photons are produced in the same location that the charged particle was
+created. The direction of the photons is assumed to be the same as the
+direction of the incident charged particle, which is a reasonable approximation
+at higher energies when the bremsstrahlung radiation is emitted at small
+angles.
+
+
+Electron-Positron Annihilation
+------------------------------
+
+When a positron collides with an electron, both particles are annihilated and
+generally two photons with equal energy are created. If the kinetic energy of
+the positron is high enough, the two photons can have different energies, and
+the higher-energy photon is emitted preferentially in the direction of flight
+of the positron. It is also possible to produce a single photon if the
+interaction occurs with a bound electron, and in some cases three (or, rarely,
+even more) photons can be emitted. However, the annihilation cross section is
+largest for low-energy positrons, and as the positron energy decreases, the
+angular distribution of the emitted photons becomes isotropic.
+
+In OpenMC, we assume the most likely case in which a low-energy positron (which
+has already lost most of its energy to bremsstrahlung radiation) interacts with
+an electron which is free and at rest. Two photons with energy equal to the
+electron rest mass energy :math:`m_e c^2 = 0.511` MeV are emitted isotropically
+in opposite directions.
+
+
+.. _Kaltiaisenaho: https://aaltodoc.aalto.fi/bitstream/handle/123456789/21004/master_Kaltiaisenaho_Toni_2016.pdf
+
+.. _Salvat: https://doi.org/10.1787/32da5043-en
+
+.. _Sternheimer: https://doi.org/10.1103/PhysRevB.26.6067
diff --git a/docs/source/methods/index.rst b/docs/source/methods/index.rst
index 75c421c87..121d04b1d 100644
--- a/docs/source/methods/index.rst
+++ b/docs/source/methods/index.rst
@@ -14,6 +14,7 @@ Theory and Methodology
     random_numbers
     neutron_physics
     photon_physics
+    charged_particles_physics
     tallies
     eigenvalue
     depletion
@@ -21,4 +22,4 @@ Theory and Methodology
     parallelization
     cmfd
     variance_reduction
-    random_ray
\ No newline at end of file
+    random_ray
diff --git a/docs/source/methods/photon_physics.rst b/docs/source/methods/photon_physics.rst
index 22d2c7f26..d2bd3ac76 100644
--- a/docs/source/methods/photon_physics.rst
+++ b/docs/source/methods/photon_physics.rst
@@ -667,342 +667,6 @@ and Auger electrons:
 
 5. Repeat from step 1 for vacancy left by the transition electron.
 
-Electron-Positron Annihilation
-------------------------------
-
-When a positron collides with an electron, both particles are annihilated and
-generally two photons with equal energy are created. If the kinetic energy of
-the positron is high enough, the two photons can have different energies, and
-the higher-energy photon is emitted preferentially in the direction of flight
-of the positron. It is also possible to produce a single photon if the
-interaction occurs with a bound electron, and in some cases three (or, rarely,
-even more) photons can be emitted. However, the annihilation cross section is
-largest for low-energy positrons, and as the positron energy decreases, the
-angular distribution of the emitted photons becomes isotropic.
-
-In OpenMC, we assume the most likely case in which a low-energy positron (which
-has already lost most of its energy to bremsstrahlung radiation) interacts with
-an electron which is free and at rest. Two photons with energy equal to the
-electron rest mass energy :math:`m_e c^2 = 0.511` MeV are emitted isotropically
-in opposite directions.
-
-Bremsstrahlung
---------------
-
-When a charged particle is decelerated in the field of an atom, some of its
-kinetic energy is converted into electromagnetic radiation known as
-bremsstrahlung, or 'braking radiation'. In each event, an electron or positron
-with kinetic energy :math:`T` generates a photon with an energy :math:`E`
-between :math:`0` and :math:`T`. Bremsstrahlung is described by a cross section
-that is differential in photon energy, in the direction of the emitted photon,
-and in the final direction of the charged particle. However, in Monte Carlo
-simulations it is typical to integrate over the angular variables to obtain a
-single differential cross section with respect to photon energy, which is often
-expressed in the form
-
-.. math::
-    :label: bremsstrahlung-dcs
-
-    \frac{d\sigma_{\text{br}}}{dE} = \frac{Z^2}{\beta^2} \frac{1}{E}
-    \chi(Z, T, \kappa),
-
-where :math:`\kappa = E/T` is the reduced photon energy and :math:`\chi(Z, T,
-\kappa)` is the scaled bremsstrahlung cross section, which is experimentally
-measured.
-
-Because electrons are attracted to atomic nuclei whereas positrons are
-repulsed, the cross section for positrons is smaller, though it approaches that
-of electrons in the high energy limit. To obtain the positron cross section, we
-multiply :eq:`bremsstrahlung-dcs` by the :math:`\kappa`-independent factor used
-in Salvat_,
-
-.. math::
-    :label: positron-factor
-
-    \begin{aligned}
-    F_{\text{p}}(Z,T) =
-    & 1 - \text{exp}(-1.2359\times 10^{-1}t + 6.1274\times 10^{-2}t^2 - 3.1516\times 10^{-2}t^3 \\
-    & + 7.7446\times 10^{-3}t^4 - 1.0595\times 10^{-3}t^5 + 7.0568\times 10^{-5}t^6 \\
-    & - 1.8080\times 10^{-6}t^7),
-    \end{aligned}
-
-where
-
-.. math::
-    :label: positron-factor-t
-
-    t = \ln\left(1 + \frac{10^6}{Z^2}\frac{T}{\text{m}_\text{e}c^2} \right).
-
-:math:`F_{\text{p}}(Z,T)` is the ratio of the radiative stopping powers for
-positrons and electrons. Stopping power describes the average energy loss per
-unit path length of a charged particle as it passes through matter:
-
-.. math::
-    :label: stopping-power
-
-    -\frac{dT}{ds} = n \int E \frac{d\sigma}{dE} dE \equiv S(T),
-
-where :math:`n` is the number density of the material and :math:`d\sigma/dE` is
-the cross section differential in energy loss. The total stopping power
-:math:`S(T)` can be separated into two components: the radiative stopping
-power :math:`S_{\text{rad}}(T)`, which refers to energy loss due to
-bremsstrahlung, and the collision stopping power :math:`S_{\text{col}}(T)`,
-which refers to the energy loss due to inelastic collisions with bound
-electrons in the material that result in ionization and excitation. The
-radiative stopping power for electrons is given by
-
-.. math::
-    :label: radiative-stopping-power
-
-    S_{\text{rad}}(T) = n \frac{Z^2}{\beta^2} T \int_0^1 \chi(Z,T,\kappa)
-    d\kappa.
-
-
-To obtain the radiative stopping power for positrons,
-:eq:`radiative-stopping-power`  is multiplied by :eq:`positron-factor`.
-
-While the models for photon interactions with matter described above can safely
-assume interactions occur with free atoms, sampling the target atom based on
-the macroscopic cross sections, molecular effects cannot necessarily be
-disregarded for charged particle treatment. For compounds and mixtures, the
-bremsstrahlung cross section is calculated using Bragg's additivity rule as
-
-.. math::
-    :label: material-bremsstrahlung-dcs
-
-    \frac{d\sigma_{\text{br}}}{dE} = \frac{1}{\beta^2 E} \sum_i \gamma_i Z^2_i
-    \chi(Z_i, T, \kappa),
-
-where the sum is over the constituent elements and :math:`\gamma_i` is the
-atomic fraction of the :math:`i`-th element. Similarly, the radiative stopping
-power is calculated using Bragg's additivity rule as
-
-.. math::
-    :label: material-radiative-stopping-power
-
-    S_{\text{rad}}(T) = \sum_i w_i S_{\text{rad},i}(T),
-
-where :math:`w_i` is the mass fraction of the :math:`i`-th element and
-:math:`S_{\text{rad},i}(T)` is found for element :math:`i` using
-:eq:`radiative-stopping-power`. The collision stopping power, however, is a
-function of certain quantities such as the mean excitation energy :math:`I` and
-the density effect correction :math:`\delta_F` that depend on molecular
-properties. These quantities cannot simply be summed over constituent elements
-in a compound, but should instead be calculated for the material. The Bethe
-formula can be used to find the collision stopping power of the material:
-
-.. math::
-    :label: material-collision-stopping-power
-
-    S_{\text{col}}(T) = \frac{2 \pi r_e^2 m_e c^2}{\beta^2} N_A \frac{Z}{A_M}
-    [\ln(T^2/I^2) + \ln(1 + \tau/2) + F(\tau) - \delta_F(T)],
-
-where :math:`N_A` is Avogadro's number, :math:`A_M` is the molar mass,
-:math:`\tau = T/m_e`, and :math:`F(\tau)` depends on the particle type. For
-electrons,
-
-.. math::
-    :label: F-electron
-
-    F_{-}(\tau) = (1 - \beta^2)[1 + \tau^2/8 - (2\tau + 1) \ln2],
-
-while for positrons
-
-.. math::
-    :label: F-positron
-
-    F_{+}(\tau) = 2\ln2 - (\beta^2/12)[23 + 14/(\tau + 2) + 10/(\tau + 2)^2 +
-    4/(\tau + 2)^3].
-
-The density effect correction :math:`\delta_F` takes into account the reduction
-of the collision stopping power due to the polarization of the material the
-charged particle is passing through by the electric field of the particle.
-It can be evaluated using the method described by Sternheimer_, where the
-equation for :math:`\delta_F` is
-
-.. math::
-    :label: density-effect-correction
-
-    \delta_F(\beta) = \sum_{i=1}^n f_i \ln[(l_i^2 + l^2)/l_i^2] -
-    l^2(1-\beta^2).
-
-Here, :math:`f_i` is the oscillator strength of the :math:`i`-th transition,
-given by :math:`f_i = n_i/Z`, where :math:`n_i` is the number of electrons in
-the :math:`i`-th subshell. The frequency :math:`l` is the solution of the
-equation
-
-.. math::
-    :label: density-effect-l
-
-    \frac{1}{\beta^2} - 1 = \sum_{i=1}^{n} \frac{f_i}{\bar{\nu}_i^2 + l^2},
-
-where :math:`\bar{v}_i` is defined as
-
-.. math::
-    :label: density-effect-nubar
-
-    \bar{\nu}_i = h\nu_i \rho / h\nu_p.
-
-The plasma energy :math:`h\nu_p` of the medium is given by
-
-.. math::
-    :label: plasma-frequency
-
-    h\nu_p = \sqrt{\frac{(hc)^2 r_e \rho_m N_A Z}{\pi A}},
-
-where :math:`A` is the atomic weight and :math:`\rho_m` is the density of the
-material. In :eq:`density-effect-nubar`, :math:`h\nu_i` is the oscillator
-energy, and :math:`\rho` is an adjustment factor introduced to give agreement
-between the experimental values of the oscillator energies and the mean
-excitation energy. The :math:`l_i` in :eq:`density-effect-correction` are
-defined as
-
-.. math::
-    :label: density-effect-li
-
-    \begin{aligned}
-    l_i &= (\bar{\nu}_i^2 + 2/3f_i)^{1/2} ~~~~&\text{for}~~ \bar{\nu}_i > 0 \\
-    l_n &= f_n^{1/2} ~~~~&\text{for}~~ \bar{\nu}_n = 0,
-    \end{aligned}
-
-where the second case applies to conduction electrons. For a conductor,
-:math:`f_n` is given by :math:`n_c/Z`, where :math:`n_c` is the effective
-number of conduction electrons, and :math:`v_n = 0`. The adjustment factor
-:math:`\rho` is determined using the equation for the mean excitation energy:
-
-.. math::
-    :label: mean-excitation-energy
-
-    \ln I = \sum_{i=1}^{n-1} f_i \ln[(h\nu_i\rho)^2 + 2/3f_i(h\nu_p)^2]^{1/2} +
-    f_n \ln (h\nu_pf_n^{1/2}).
-
-.. _ttb:
-
-Thick-Target Bremsstrahlung Approximation
-+++++++++++++++++++++++++++++++++++++++++
-
-Since charged particles lose their energy on a much shorter distance scale than
-neutral particles, not much error should be introduced by neglecting to
-transport electrons. However, the bremsstrahlung emitted from high energy
-electrons and positrons can travel far from the interaction site. Thus, even
-without a full electron transport mode it is necessary to model bremsstrahlung.
-We use a thick-target bremsstrahlung (TTB) approximation based on the models in
-Salvat_ and Kaltiaisenaho_ for generating bremsstrahlung photons, which assumes
-the charged particle loses all its energy in a single homogeneous material
-region.
-
-To model bremsstrahlung using the TTB approximation, we need to know the number
-of photons emitted by the charged particle and the energy distribution of the
-photons. These quantities can be calculated using the continuous slowing down
-approximation (CSDA). The CSDA assumes charged particles lose energy
-continuously along their trajectory with a rate of energy loss equal to the
-total stopping power, ignoring fluctuations in the energy loss. The
-approximation is useful for expressing average quantities that describe how
-charged particles slow down in matter. For example, the CSDA range approximates
-the average path length a charged particle travels as it slows to rest:
-
-.. math::
-    :label: csda-range
-
-    R(T) = \int^T_0 \frac{dT'}{S(T')}.
-
-Actual path lengths will fluctuate around :math:`R(T)`. The average number of
-photons emitted per unit path length is given by the inverse bremsstrahlung
-mean free path:
-
-.. math::
-    :label: inverse-bremsstrahlung-mfp
-
-    \lambda_{\text{br}}^{-1}(T,E_{\text{cut}})
-    = n\int_{E_{\text{cut}}}^T\frac{d\sigma_{\text{br}}}{dE}dE
-    = n\frac{Z^2}{\beta^2}\int_{\kappa_{\text{cut}}}^1\frac{1}{\kappa}
-    \chi(Z,T,\kappa)d\kappa.
-
-The lower limit of the integral in :eq:`inverse-bremsstrahlung-mfp` is non-zero
-because the bremsstrahlung differential cross section diverges for small photon
-energies but is finite for photon energies above some cutoff energy
-:math:`E_{\text{cut}}`. The mean free path
-:math:`\lambda_{\text{br}}^{-1}(T,E_{\text{cut}})` is used to calculate the
-photon number yield, defined as the average number of photons emitted with
-energy greater than :math:`E_{\text{cut}}` as the charged particle slows down
-from energy :math:`T` to :math:`E_{\text{cut}}`. The photon number yield is
-given by
-
-.. math::
-    :label: photon-number-yield
-
-    Y(T,E_{\text{cut}}) = \int^{R(T)}_{R(E_{\text{cut}})}
-    \lambda_{\text{br}}^{-1}(T',E_{\text{cut}})ds = \int_{E_{\text{cut}}}^T
-    \frac{\lambda_{\text{br}}^{-1}(T',E_{\text{cut}})}{S(T')}dT'.
-
-:math:`Y(T,E_{\text{cut}})` can be used to construct the energy spectrum of
-bremsstrahlung photons: the number of photons created with energy between
-:math:`E_1` and :math:`E_2` by a charged particle with initial kinetic energy
-:math:`T` as it comes to rest is given by :math:`Y(T,E_1) - Y(T,E_2)`.
-
-To simulate the emission of bremsstrahlung photons, the total stopping power
-and bremsstrahlung differential cross section for positrons and electrons must
-be calculated for a given material using :eq:`material-bremsstrahlung-dcs` and
-:eq:`material-radiative-stopping-power`. These quantities are used to build the
-tabulated bremsstrahlung energy PDF and CDF for that material for each incident
-energy :math:`T_k` on the energy grid. The following algorithm is then applied
-to sample the photon energies:
-
-1. For an incident charged particle with energy :math:`T`, sample the number of
-   emitted photons as
-
-   .. math::
-
-       N = \lfloor Y(T,E_{\text{cut}}) + \xi_1 \rfloor.
-
-2. Rather than interpolate the PDF between indices :math:`k` and :math:`k+1`
-   for which :math:`T_k < T < T_{k+1}`, which is computationally expensive, use
-   the composition method and sample from the PDF at either :math:`k` or
-   :math:`k+1`. Using linear interpolation on a logarithmic scale, the PDF can
-   be expressed as
-
-   .. math::
-
-       p_{\text{br}}(T,E) = \pi_k p_{\text{br}}(T_k,E) + \pi_{k+1}
-       p_{\text{br}}(T_{k+1},E),
-
-   where the interpolation weights are
-
-   .. math::
-
-       \pi_k = \frac{\ln T_{k+1} - \ln T}{\ln T_{k+1} - \ln T_k},~~~
-       \pi_{k+1} = \frac{\ln T - \ln T_k}{\ln T_{k+1} - \ln T_k}.
-
-   Sample either the index :math:`i = k` or :math:`i = k+1` according to the
-   point probabilities :math:`\pi_{k}` and :math:`\pi_{k+1}`.
-
-3. Determine the maximum value of the CDF :math:`P_{\text{br,max}}`.
-
-3. Sample the photon energies using the inverse transform method with the
-   tabulated CDF :math:`P_{\text{br}}(T_i, E)` i.e.,
-
-   .. math::
-
-       E = E_j \left[ (1 + a_j) \frac{\xi_2 P_{\text{br,max}} -
-       P_{\text{br}}(T_i, E_j)} {E_j p_{\text{br}}(T_i, E_j)} + 1
-       \right]^{\frac{1}{1 + a_j}}
-
-   where the interpolation factor :math:`a_j` is given by
-
-   .. math::
-
-       a_j = \frac{\ln p_{\text{br}}(T_i,E_{j+1}) - \ln p_{\text{br}}(T_i,E_j)}
-       {\ln E_{j+1} - \ln E_j}
-
-   and :math:`P_{\text{br}}(T_i, E_j) \le \xi_2 P_{\text{br,max}} \le
-   P_{\text{br}}(T_i, E_{j+1})`.
-
-We ignore the range of the electron or positron, i.e., the bremsstrahlung
-photons are produced in the same location that the charged particle was
-created. The direction of the photons is assumed to be the same as the
-direction of the incident charged particle, which is a reasonable approximation
-at higher energies when the bremsstrahlung radiation is emitted at small
-angles.
 
 .. _photon_production:
 
@@ -1070,5 +734,3 @@ emitted photon.
 .. _Kaltiaisenaho: https://aaltodoc.aalto.fi/bitstream/handle/123456789/21004/master_Kaltiaisenaho_Toni_2016.pdf
 
 .. _Salvat: https://doi.org/10.1787/32da5043-en
-
-.. _Sternheimer: https://doi.org/10.1103/PhysRevB.26.6067
diff --git a/include/openmc/nuclide.h b/include/openmc/nuclide.h
index 329c776d0..60b88a153 100644
--- a/include/openmc/nuclide.h
+++ b/include/openmc/nuclide.h
@@ -164,8 +164,8 @@ namespace data {
 
 // Minimum/maximum transport energy for each particle type. Order corresponds to
 // that of the ParticleType enum
-extern array<double, 2> energy_min;
-extern array<double, 2> energy_max;
+extern array<double, 4> energy_min;
+extern array<double, 4> energy_max;
 
 //! Minimum temperature in [K] that nuclide data is available at
 extern double temperature_min;
diff --git a/openmc/source.py b/openmc/source.py
index c463ccb27..9b730cf1d 100644
--- a/openmc/source.py
+++ b/openmc/source.py
@@ -260,7 +260,7 @@ class IndependentSource(SourceBase):
         time distribution of source sites
     strength : float
         Strength of the source
-    particle : {'neutron', 'photon'}
+    particle : {'neutron', 'photon', 'electron', 'positron'}
         Source particle type
     domains : iterable of openmc.Cell, openmc.Material, or openmc.Universe
         Domains to reject based on, i.e., if a sampled spatial location is not
@@ -299,7 +299,7 @@ class IndependentSource(SourceBase):
 
     .. versionadded:: 0.14.0
 
-    particle : {'neutron', 'photon'}
+    particle : {'neutron', 'photon', 'electron', 'positron'}
         Source particle type
     constraints : dict
         Constraints on sampled source particles. Valid keys include
@@ -404,7 +404,8 @@ class IndependentSource(SourceBase):
 
     @particle.setter
     def particle(self, particle):
-        cv.check_value('source particle', particle, ['neutron', 'photon'])
+        cv.check_value('source particle', particle,
+                       ['neutron', 'photon', 'electron', 'positron'])
         self._particle = particle
 
     def populate_xml_element(self, element):
diff --git a/src/finalize.cpp b/src/finalize.cpp
index 76babbb96..659f390b3 100644
--- a/src/finalize.cpp
+++ b/src/finalize.cpp
@@ -156,8 +156,8 @@ int openmc_finalize()
   simulation::entropy_mesh = nullptr;
   simulation::ufs_mesh = nullptr;
 
-  data::energy_max = {INFTY, INFTY};
-  data::energy_min = {0.0, 0.0};
+  data::energy_max = {INFTY, INFTY, INFTY, INFTY};
+  data::energy_min = {0.0, 0.0, 0.0, 0.0};
   data::temperature_min = 0.0;
   data::temperature_max = INFTY;
   model::root_universe = -1;
diff --git a/src/nuclide.cpp b/src/nuclide.cpp
index 7cb84640d..5ae6e30ee 100644
--- a/src/nuclide.cpp
+++ b/src/nuclide.cpp
@@ -31,8 +31,8 @@ namespace openmc {
 //==============================================================================
 
 namespace data {
-array<double, 2> energy_min {0.0, 0.0};
-array<double, 2> energy_max {INFTY, INFTY};
+array<double, 4> energy_min {0.0, 0.0, 0.0, 0.0};
+array<double, 4> energy_max {INFTY, INFTY, INFTY, INFTY};
 double temperature_min {INFTY};
 double temperature_max {0.0};
 std::unordered_map<std::string, int> nuclide_map;
diff --git a/src/particle.cpp b/src/particle.cpp
index 06ccf462a..6b4c332a8 100644
--- a/src/particle.cpp
+++ b/src/particle.cpp
@@ -232,7 +232,7 @@ void Particle::event_advance()
 
   // Sample a distance to collision
   if (type() == ParticleType::electron || type() == ParticleType::positron) {
-    collision_distance() = 0.0;
+    collision_distance() = material() == MATERIAL_VOID ? INFINITY : 0.0;
   } else if (macro_xs().total == 0.0) {
     collision_distance() = INFINITY;
   } else {
diff --git a/src/simulation.cpp b/src/simulation.cpp
index b9986f473..f55546c4c 100644
--- a/src/simulation.cpp
+++ b/src/simulation.cpp
@@ -674,8 +674,9 @@ void calculate_work()
 void initialize_data()
 {
   // Determine minimum/maximum energy for incident neutron/photon data
-  data::energy_max = {INFTY, INFTY};
-  data::energy_min = {0.0, 0.0};
+  data::energy_max = {INFTY, INFTY, INFTY, INFTY};
+  data::energy_min = {0.0, 0.0, 0.0, 0.0};
+
   for (const auto& nuc : data::nuclides) {
     if (nuc->grid_.size() >= 1) {
       int neutron = static_cast<int>(ParticleType::neutron);
@@ -703,11 +704,21 @@ void initialize_data()
       // than the current minimum/maximum
       if (data::ttb_e_grid.size() >= 1) {
         int photon = static_cast<int>(ParticleType::photon);
+        int electron = static_cast<int>(ParticleType::electron);
+        int positron = static_cast<int>(ParticleType::positron);
         int n_e = data::ttb_e_grid.size();
+
+        const std::vector<int> charged = {electron, positron};
+        for (auto t : charged) {
+          data::energy_min[t] = std::exp(data::ttb_e_grid(1));
+          data::energy_max[t] = std::exp(data::ttb_e_grid(n_e - 1));
+        }
+
         data::energy_min[photon] =
-          std::max(data::energy_min[photon], std::exp(data::ttb_e_grid(1)));
-        data::energy_max[photon] = std::min(
-          data::energy_max[photon], std::exp(data::ttb_e_grid(n_e - 1)));
+          std::max(data::energy_min[photon], data::energy_min[electron]);
+
+        data::energy_max[photon] =
+          std::min(data::energy_max[photon], data::energy_max[electron]);
       }
     }
   }
diff --git a/src/source.cpp b/src/source.cpp
index 12323f7bd..f6aa665eb 100644
--- a/src/source.cpp
+++ b/src/source.cpp
@@ -290,6 +290,12 @@ IndependentSource::IndependentSource(pugi::xml_node node) : Source(node)
     } else if (temp_str == "photon") {
       particle_ = ParticleType::photon;
       settings::photon_transport = true;
+    } else if (temp_str == "electron") {
+      particle_ = ParticleType::electron;
+      settings::photon_transport = true;
+    } else if (temp_str == "positron") {
+      particle_ = ParticleType::positron;
+      settings::photon_transport = true;
     } else {
       fatal_error(std::string("Unknown source particle type: ") + temp_str);
     }
diff --git a/tests/regression_tests/electron_heating/__init__.py b/tests/regression_tests/electron_heating/__init__.py
new file mode 100644
index 000000000..e69de29bb
diff --git a/tests/regression_tests/electron_heating/inputs_true.dat b/tests/regression_tests/electron_heating/inputs_true.dat
new file mode 100644
index 000000000..ec8e5a837
--- /dev/null
+++ b/tests/regression_tests/electron_heating/inputs_true.dat
@@ -0,0 +1,32 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material id="1">
+      <density value="1.0" units="g/cc"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="-1" universe="1"/>
+    <surface id="1" type="sphere" boundary="reflective" coeffs="0.0 0.0 0.0 1.0"/>
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>10000</particles>
+    <batches>1</batches>
+    <source type="independent" strength="1.0" particle="electron">
+      <energy type="discrete">
+        <parameters>10000000.0 1.0</parameters>
+      </energy>
+    </source>
+    <cutoff>
+      <energy_photon>1000.0</energy_photon>
+    </cutoff>
+  </settings>
+  <tallies>
+    <tally id="1">
+      <scores>heating</scores>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/electron_heating/results_true.dat b/tests/regression_tests/electron_heating/results_true.dat
new file mode 100644
index 000000000..4f54ceaa4
--- /dev/null
+++ b/tests/regression_tests/electron_heating/results_true.dat
@@ -0,0 +1,3 @@
+tally 1:
+1.000000E+07
+1.000000E+14
diff --git a/tests/regression_tests/electron_heating/test.py b/tests/regression_tests/electron_heating/test.py
new file mode 100644
index 000000000..e7a58560c
--- /dev/null
+++ b/tests/regression_tests/electron_heating/test.py
@@ -0,0 +1,40 @@
+import pytest
+import openmc
+
+from tests.testing_harness import PyAPITestHarness
+
+
+@pytest.fixture
+def water_model():
+    # Define materals and geometry
+    water = openmc.Material()
+    water.add_nuclide("H1", 2.0)
+    water.add_nuclide("O16", 1.0)
+    water.set_density("g/cc", 1.0)
+    sphere = openmc.Sphere(r=1.0, boundary_type="reflective")
+    sph = openmc.Cell(fill=water, region=-sphere)
+    geometry = openmc.Geometry([sph])
+    source = openmc.IndependentSource(
+        energy=openmc.stats.delta_function(10.0e6),
+        particle="electron"
+    )
+
+    # Define settings
+    settings = openmc.Settings()
+    settings.particles = 10000
+    settings.batches = 1
+    settings.cutoff = {"energy_photon": 1000.0}
+    settings.run_mode = "fixed source"
+    settings.source = source
+
+    # Define tallies
+    tally = openmc.Tally()
+    tally.scores = ["heating"]
+    tallies = openmc.Tallies([tally])
+
+    return openmc.Model(geometry=geometry, settings=settings, tallies=tallies)
+
+
+def test_electron_heating_calc(water_model):
+    harness = PyAPITestHarness("statepoint.1.h5", water_model)
+    harness.main()

From 055ea15a2ddf40f6fff4eef52990e79b37652f64 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 17 Oct 2025 18:09:37 -0500
Subject: [PATCH 2413/2654] Clip mixture distributions based on mean times
 integral (#3603)

---
 openmc/stats/univariate.py | 76 ++++++++++++++++++++++++++++++++------
 1 file changed, 64 insertions(+), 12 deletions(-)

diff --git a/openmc/stats/univariate.py b/openmc/stats/univariate.py
index d6cf19f2b..c48cc0075 100644
--- a/openmc/stats/univariate.py
+++ b/openmc/stats/univariate.py
@@ -295,6 +295,20 @@ class Discrete(Univariate):
         """
         return np.sum(self.p)
 
+    def mean(self) -> float:
+        """Return mean of the discrete distribution
+
+        The mean is the weighted average of the discrete values.
+
+        .. versionadded:: 0.15.3
+
+        Returns
+        -------
+        float
+            Mean of discrete distribution
+        """
+        return np.sum(self.x * self.p) / np.sum(self.p)
+
     def clip(self, tolerance: float = 1e-6, inplace: bool = False) -> Discrete:
         r"""Remove low-importance points from discrete distribution.
 
@@ -413,6 +427,18 @@ class Uniform(Univariate):
         rng = np.random.RandomState(seed)
         return rng.uniform(self.a, self.b, n_samples)
 
+    def mean(self) -> float:
+        """Return mean of the uniform distribution
+
+        .. versionadded:: 0.15.3
+
+        Returns
+        -------
+        float
+            Mean of uniform distribution
+        """
+        return 0.5 * (self.a + self.b)
+
     def to_xml_element(self, element_name: str):
         """Return XML representation of the uniform distribution
 
@@ -1123,7 +1149,7 @@ class Tabular(Univariate):
 
         """
         interpolation = get_text(elem, 'interpolation')
-        params = get_elem_list(elem, "parameters", float)        
+        params = get_elem_list(elem, "parameters", float)
         m = (len(params) + 1)//2  # +1 for when len(params) is odd
         x = params[:m]
         p = params[m:]
@@ -1347,6 +1373,30 @@ class Mixture(Univariate):
             for p, dist in zip(self.probability, self.distribution)
         ])
 
+    def mean(self) -> float:
+        """Return mean of the mixture distribution
+
+        The mean is the weighted average of the means of the component
+        distributions, weighted by probability * integral.
+
+        .. versionadded:: 0.15.3
+
+        Returns
+        -------
+        float
+            Mean of the mixture distribution
+        """
+        # Weight each component by its probability and integral
+        weights = [p*dist.integral() for p, dist in
+                   zip(self.probability, self.distribution)]
+        total_weight = sum(weights)
+
+        if total_weight == 0:
+            return 0.0
+
+        return sum([w*dist.mean() for w, dist in
+                   zip(weights, self.distribution)]) / total_weight
+
     def clip(self, tolerance: float = 1e-6, inplace: bool = False) -> Mixture:
         r"""Remove low-importance points / distributions
 
@@ -1369,14 +1419,14 @@ class Mixture(Univariate):
         Distribution with low-importance points / distributions removed
 
         """
-        # Determine integral of original distribution to compare later
-        original_integral = self.integral()
+        # Calculate mean * integral for original distribution to compare later.
+        original_mean_integral = self.mean() * self.integral()
 
         # Determine indices for any distributions that contribute non-negligibly
-        # to overall intensity
-        intensities = [prob*dist.integral() for prob, dist in
-                       zip(self.probability, self.distribution)]
-        indices = _intensity_clip(intensities, tolerance=tolerance)
+        # to overall mean * integral
+        mean_integrals = [prob*dist.mean()*dist.integral() for prob, dist in
+                          zip(self.probability, self.distribution)]
+        indices = _intensity_clip(mean_integrals, tolerance=tolerance)
 
         # Clip mixture of distributions
         probability = self.probability[indices]
@@ -1397,12 +1447,14 @@ class Mixture(Univariate):
             # Create new distribution
             new_dist = type(self)(probability, distribution)
 
-        # Show warning if integral of new distribution is not within
-        # tolerance of original
-        diff = (original_integral - new_dist.integral())/original_integral
+        # Show warning if mean * integral of new distribution is not within
+        # tolerance of original. For energy distributions, mean * integral
+        # represents total energy.
+        new_mean_integral = new_dist.mean() * new_dist.integral()
+        diff = (original_mean_integral - new_mean_integral)/original_mean_integral
         if diff > tolerance:
-            warn("Clipping mixture distribution resulted in an integral that is "
-                    f"lower by a fraction of {diff} when tolerance={tolerance}.")
+            warn("Clipping mixture distribution resulted in a mean*integral "
+                 f"that is lower by a fraction of {diff} when tolerance={tolerance}.")
 
         return new_dist
 

From 3ac5d6f8f540a0bfbe53b8264ae1d691093853ec Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Mon, 20 Oct 2025 18:45:14 +0200
Subject: [PATCH 2414/2654] Allow Path objects in MGXSLibrary.export_to_hdf5
 (#3608)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/mgxs_library.py | 6 +++---
 1 file changed, 3 insertions(+), 3 deletions(-)

diff --git a/openmc/mgxs_library.py b/openmc/mgxs_library.py
index b840563cf..ce86f97df 100644
--- a/openmc/mgxs_library.py
+++ b/openmc/mgxs_library.py
@@ -11,7 +11,7 @@ import openmc
 import openmc.mgxs
 from openmc.mgxs import SCATTER_TABULAR, SCATTER_LEGENDRE, SCATTER_HISTOGRAM
 from .checkvalue import check_type, check_value, check_greater_than, \
-    check_iterable_type, check_less_than, check_filetype_version
+    check_iterable_type, check_less_than, check_filetype_version, PathLike
 
 ROOM_TEMPERATURE_KELVIN = 294.0
 
@@ -2506,7 +2506,7 @@ class MGXSLibrary:
 
         Parameters
         ----------
-        filename : str
+        filename : str or PathLike
             Filename of file, default is mgxs.h5.
         libver : {'earliest', 'latest'}
             Compatibility mode for the HDF5 file. 'latest' will produce files
@@ -2514,7 +2514,7 @@ class MGXSLibrary:
 
         """
 
-        check_type('filename', filename, str)
+        check_type('filename', filename, PathLike)
 
         # Create and write to the HDF5 file
         file = h5py.File(filename, "w", libver=libver)

From c31032cf25f5a8c839c20fdb1017cbbf6de88278 Mon Sep 17 00:00:00 2001
From: GuySten <62616591+GuySten@users.noreply.github.com>
Date: Wed, 22 Oct 2025 02:03:27 +0300
Subject: [PATCH 2415/2654] load mesh objects from weight_windows.h5 file
 (#3598)

Co-authored-by: Patrick Shriwise <pshriwise@gmail.com>
---
 include/openmc/mesh.h               |  22 ++
 src/mesh.cpp                        | 369 ++++++++++++++++++++++------
 src/weight_windows.cpp              |   4 +
 tests/cpp_unit_tests/CMakeLists.txt |   1 +
 tests/cpp_unit_tests/test_mesh.cpp  | 257 +++++++++++++++++++
 5 files changed, 579 insertions(+), 74 deletions(-)
 create mode 100644 tests/cpp_unit_tests/test_mesh.cpp

diff --git a/include/openmc/mesh.h b/include/openmc/mesh.h
index a56705c9e..5c9272e93 100644
--- a/include/openmc/mesh.h
+++ b/include/openmc/mesh.h
@@ -132,8 +132,14 @@ public:
   // Constructors and destructor
   Mesh() = default;
   Mesh(pugi::xml_node node);
+  Mesh(hid_t group);
   virtual ~Mesh() = default;
 
+  // Factory method for creating meshes from either an XML node or HDF5 group
+  template<typename T>
+  static const std::unique_ptr<Mesh>& create(
+    T dataset, const std::string& mesh_type, const std::string& mesh_library);
+
   // Methods
   //! Perform any preparation needed to support point location within the mesh
   virtual void prepare_for_point_location() {};
@@ -258,6 +264,7 @@ class StructuredMesh : public Mesh {
 public:
   StructuredMesh() = default;
   StructuredMesh(pugi::xml_node node) : Mesh {node} {};
+  StructuredMesh(hid_t group) : Mesh {group} {};
   virtual ~StructuredMesh() = default;
 
   using MeshIndex = std::array<int, 3>;
@@ -423,6 +430,7 @@ class PeriodicStructuredMesh : public StructuredMesh {
 public:
   PeriodicStructuredMesh() = default;
   PeriodicStructuredMesh(pugi::xml_node node) : StructuredMesh {node} {};
+  PeriodicStructuredMesh(hid_t group) : StructuredMesh {group} {};
 
   Position local_coords(const Position& r) const override
   {
@@ -442,6 +450,7 @@ public:
   // Constructors
   RegularMesh() = default;
   RegularMesh(pugi::xml_node node);
+  RegularMesh(hid_t group);
 
   // Overridden methods
   int get_index_in_direction(double r, int i) const override;
@@ -481,6 +490,8 @@ public:
   //! Return the volume for a given mesh index
   double volume(const MeshIndex& ijk) const override;
 
+  int set_grid();
+
   // Data members
   double volume_frac_;           //!< Volume fraction of each mesh element
   double element_volume_;        //!< Volume of each mesh element
@@ -492,6 +503,7 @@ public:
   // Constructors
   RectilinearMesh() = default;
   RectilinearMesh(pugi::xml_node node);
+  RectilinearMesh(hid_t group);
 
   // Overridden methods
   int get_index_in_direction(double r, int i) const override;
@@ -534,6 +546,7 @@ public:
   // Constructors
   CylindricalMesh() = default;
   CylindricalMesh(pugi::xml_node node);
+  CylindricalMesh(hid_t group);
 
   // Overridden methods
   virtual MeshIndex get_indices(Position r, bool& in_mesh) const override;
@@ -598,6 +611,7 @@ public:
   // Constructors
   SphericalMesh() = default;
   SphericalMesh(pugi::xml_node node);
+  SphericalMesh(hid_t group);
 
   // Overridden methods
   virtual MeshIndex get_indices(Position r, bool& in_mesh) const override;
@@ -668,6 +682,7 @@ public:
   // Constructors
   UnstructuredMesh() { n_dimension_ = 3; };
   UnstructuredMesh(pugi::xml_node node);
+  UnstructuredMesh(hid_t group);
 
   static const std::string mesh_type;
   virtual std::string get_mesh_type() const override;
@@ -774,6 +789,7 @@ public:
   // Constructors
   MOABMesh() = default;
   MOABMesh(pugi::xml_node);
+  MOABMesh(hid_t group);
   MOABMesh(const std::string& filename, double length_multiplier = 1.0);
   MOABMesh(std::shared_ptr<moab::Interface> external_mbi);
 
@@ -943,6 +959,7 @@ class LibMesh : public UnstructuredMesh {
 public:
   // Constructors
   LibMesh(pugi::xml_node node);
+  LibMesh(hid_t group);
   LibMesh(const std::string& filename, double length_multiplier = 1.0);
   LibMesh(libMesh::MeshBase& input_mesh, double length_multiplier = 1.0);
 
@@ -1069,6 +1086,11 @@ private:
 //! \param[in] root XML node
 void read_meshes(pugi::xml_node root);
 
+//! Read meshes from an HDF5 file
+//
+//! \param[in] group HDF5 group ("meshes" group)
+void read_meshes(hid_t group);
+
 //! Write mesh data to an HDF5 group
 //
 //! \param[in] group HDF5 group
diff --git a/src/mesh.cpp b/src/mesh.cpp
index 58d218b9c..610d057cf 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -230,6 +230,42 @@ void MaterialVolumes::add_volume_unsafe(
 // Mesh implementation
 //==============================================================================
 
+template<typename T>
+const std::unique_ptr<Mesh>& Mesh::create(
+  T dataset, const std::string& mesh_type, const std::string& mesh_library)
+{
+  // Determine mesh type. Add to model vector and map
+  if (mesh_type == RegularMesh::mesh_type) {
+    model::meshes.push_back(make_unique<RegularMesh>(dataset));
+  } else if (mesh_type == RectilinearMesh::mesh_type) {
+    model::meshes.push_back(make_unique<RectilinearMesh>(dataset));
+  } else if (mesh_type == CylindricalMesh::mesh_type) {
+    model::meshes.push_back(make_unique<CylindricalMesh>(dataset));
+  } else if (mesh_type == SphericalMesh::mesh_type) {
+    model::meshes.push_back(make_unique<SphericalMesh>(dataset));
+#ifdef OPENMC_DAGMC_ENABLED
+  } else if (mesh_type == UnstructuredMesh::mesh_type &&
+             mesh_library == MOABMesh::mesh_lib_type) {
+    model::meshes.push_back(make_unique<MOABMesh>(dataset));
+#endif
+#ifdef OPENMC_LIBMESH_ENABLED
+  } else if (mesh_type == UnstructuredMesh::mesh_type &&
+             mesh_library == LibMesh::mesh_lib_type) {
+    model::meshes.push_back(make_unique<LibMesh>(dataset));
+#endif
+  } else if (mesh_type == UnstructuredMesh::mesh_type) {
+    fatal_error("Unstructured mesh support is not enabled or the mesh "
+                "library is invalid.");
+  } else {
+    fatal_error(fmt::format("Invalid mesh type: {}", mesh_type));
+  }
+
+  // Map ID to position in vector
+  model::mesh_map[model::meshes.back()->id_] = model::meshes.size() - 1;
+
+  return model::meshes.back();
+}
+
 Mesh::Mesh(pugi::xml_node node)
 {
   // Read mesh id
@@ -238,6 +274,17 @@ Mesh::Mesh(pugi::xml_node node)
     name_ = get_node_value(node, "name");
 }
 
+Mesh::Mesh(hid_t group)
+{
+  // Read mesh ID
+  read_attribute(group, "id", id_);
+
+  // Read mesh name
+  if (object_exists(group, "name")) {
+    read_dataset(group, "name", name_);
+  }
+}
+
 void Mesh::set_id(int32_t id)
 {
   assert(id >= 0 || id == C_NONE);
@@ -265,7 +312,13 @@ void Mesh::set_id(int32_t id)
 
   // Update ID and entry in the mesh map
   id_ = id;
-  model::mesh_map[id] = model::meshes.size() - 1;
+
+  // find the index of this mesh in the model::meshes vector
+  // (search in reverse because this mesh was likely just added to the vector)
+  auto it = std::find_if(model::meshes.rbegin(), model::meshes.rend(),
+    [this](const std::unique_ptr<Mesh>& mesh) { return mesh.get() == this; });
+
+  model::mesh_map[id] = std::distance(model::meshes.begin(), it.base()) - 1;
 }
 
 vector<double> Mesh::volumes() const
@@ -627,6 +680,46 @@ UnstructuredMesh::UnstructuredMesh(pugi::xml_node node) : Mesh(node)
   }
 }
 
+UnstructuredMesh::UnstructuredMesh(hid_t group) : Mesh(group)
+{
+  n_dimension_ = 3;
+
+  // check the mesh type
+  if (object_exists(group, "type")) {
+    std::string temp;
+    read_dataset(group, "type", temp);
+    if (temp != mesh_type) {
+      fatal_error(fmt::format("Invalid mesh type: {}", temp));
+    }
+  }
+
+  // check if a length unit multiplier was specified
+  if (object_exists(group, "length_multiplier")) {
+    read_dataset(group, "length_multiplier", length_multiplier_);
+  }
+
+  // get the filename of the unstructured mesh to load
+  if (object_exists(group, "filename")) {
+    read_dataset(group, "filename", filename_);
+    if (!file_exists(filename_)) {
+      fatal_error("Mesh file '" + filename_ + "' does not exist!");
+    }
+  } else {
+    fatal_error(fmt::format(
+      "No filename supplied for unstructured mesh with ID: {}", id_));
+  }
+
+  if (attribute_exists(group, "options")) {
+    read_attribute(group, "options", options_);
+  }
+
+  // check if mesh tally data should be written with
+  // statepoint files
+  if (attribute_exists(group, "output")) {
+    read_attribute(group, "output", output_);
+  }
+}
+
 void UnstructuredMesh::determine_bounds()
 {
   double xmin = INFTY;
@@ -1086,6 +1179,72 @@ void StructuredMesh::surface_bins_crossed(
 // RegularMesh implementation
 //==============================================================================
 
+int RegularMesh::set_grid()
+{
+  auto shape = xt::adapt(shape_, {n_dimension_});
+
+  // Check that dimensions are all greater than zero
+  if (xt::any(shape <= 0)) {
+    set_errmsg("All entries for a regular mesh dimensions "
+               "must be positive.");
+    return OPENMC_E_INVALID_ARGUMENT;
+  }
+
+  // Make sure lower_left and dimension match
+  if (lower_left_.size() != n_dimension_) {
+    set_errmsg("Number of entries in lower_left must be the same "
+               "as the regular mesh dimensions.");
+    return OPENMC_E_INVALID_ARGUMENT;
+  }
+  if (width_.size() > 0) {
+
+    // Check to ensure width has same dimensions
+    if (width_.size() != n_dimension_) {
+      set_errmsg("Number of entries on width must be the same as "
+                 "the regular mesh dimensions.");
+      return OPENMC_E_INVALID_ARGUMENT;
+    }
+
+    // Check for negative widths
+    if (xt::any(width_ < 0.0)) {
+      set_errmsg("Cannot have a negative width on a regular mesh.");
+      return OPENMC_E_INVALID_ARGUMENT;
+    }
+
+    // Set width and upper right coordinate
+    upper_right_ = xt::eval(lower_left_ + shape * width_);
+
+  } else if (upper_right_.size() > 0) {
+
+    // Check to ensure upper_right_ has same dimensions
+    if (upper_right_.size() != n_dimension_) {
+      set_errmsg("Number of entries on upper_right must be the "
+                 "same as the regular mesh dimensions.");
+      return OPENMC_E_INVALID_ARGUMENT;
+    }
+
+    // Check that upper-right is above lower-left
+    if (xt::any(upper_right_ < lower_left_)) {
+      set_errmsg(
+        "The upper_right coordinates of a regular mesh must be greater than "
+        "the lower_left coordinates.");
+      return OPENMC_E_INVALID_ARGUMENT;
+    }
+
+    // Set width
+    width_ = xt::eval((upper_right_ - lower_left_) / shape);
+  }
+
+  // Set material volumes
+  volume_frac_ = 1.0 / xt::prod(shape)();
+
+  element_volume_ = 1.0;
+  for (int i = 0; i < n_dimension_; i++) {
+    element_volume_ *= width_[i];
+  }
+  return 0;
+}
+
 RegularMesh::RegularMesh(pugi::xml_node node) : StructuredMesh {node}
 {
   // Determine number of dimensions for mesh
@@ -1100,12 +1259,6 @@ RegularMesh::RegularMesh(pugi::xml_node node) : StructuredMesh {node}
   }
   std::copy(shape.begin(), shape.end(), shape_.begin());
 
-  // Check that dimensions are all greater than zero
-  if (xt::any(shape <= 0)) {
-    fatal_error("All entries on the <dimension> element for a tally "
-                "mesh must be positive.");
-  }
-
   // Check for lower-left coordinates
   if (check_for_node(node, "lower_left")) {
     // Read mesh lower-left corner location
@@ -1114,12 +1267,6 @@ RegularMesh::RegularMesh(pugi::xml_node node) : StructuredMesh {node}
     fatal_error("Must specify <lower_left> on a mesh.");
   }
 
-  // Make sure lower_left and dimension match
-  if (shape.size() != lower_left_.size()) {
-    fatal_error("Number of entries on <lower_left> must be the same "
-                "as the number of entries on <dimension>.");
-  }
-
   if (check_for_node(node, "width")) {
     // Make sure one of upper-right or width were specified
     if (check_for_node(node, "upper_right")) {
@@ -1128,49 +1275,52 @@ RegularMesh::RegularMesh(pugi::xml_node node) : StructuredMesh {node}
 
     width_ = get_node_xarray<double>(node, "width");
 
-    // Check to ensure width has same dimensions
-    auto n = width_.size();
-    if (n != lower_left_.size()) {
-      fatal_error("Number of entries on <width> must be the same as "
-                  "the number of entries on <lower_left>.");
-    }
-
-    // Check for negative widths
-    if (xt::any(width_ < 0.0)) {
-      fatal_error("Cannot have a negative <width> on a tally mesh.");
-    }
-
-    // Set width and upper right coordinate
-    upper_right_ = xt::eval(lower_left_ + shape * width_);
-
   } else if (check_for_node(node, "upper_right")) {
+
     upper_right_ = get_node_xarray<double>(node, "upper_right");
 
-    // Check to ensure width has same dimensions
-    auto n = upper_right_.size();
-    if (n != lower_left_.size()) {
-      fatal_error("Number of entries on <upper_right> must be the "
-                  "same as the number of entries on <lower_left>.");
-    }
-
-    // Check that upper-right is above lower-left
-    if (xt::any(upper_right_ < lower_left_)) {
-      fatal_error("The <upper_right> coordinates must be greater than "
-                  "the <lower_left> coordinates on a tally mesh.");
-    }
-
-    // Set width
-    width_ = xt::eval((upper_right_ - lower_left_) / shape);
   } else {
     fatal_error("Must specify either <upper_right> or <width> on a mesh.");
   }
 
-  // Set material volumes
-  volume_frac_ = 1.0 / xt::prod(shape)();
+  if (int err = set_grid()) {
+    fatal_error(openmc_err_msg);
+  }
+}
 
-  element_volume_ = 1.0;
-  for (int i = 0; i < n_dimension_; i++) {
-    element_volume_ *= width_[i];
+RegularMesh::RegularMesh(hid_t group) : StructuredMesh {group}
+{
+  // Determine number of dimensions for mesh
+  if (!object_exists(group, "dimension")) {
+    fatal_error("Must specify <dimension> on a regular mesh.");
+  }
+
+  xt::xtensor<int, 1> shape;
+  read_dataset(group, "dimension", shape);
+  int n = n_dimension_ = shape.size();
+  if (n != 1 && n != 2 && n != 3) {
+    fatal_error("Mesh must be one, two, or three dimensions.");
+  }
+  std::copy(shape.begin(), shape.end(), shape_.begin());
+
+  // Check for lower-left coordinates
+  if (object_exists(group, "lower_left")) {
+    // Read mesh lower-left corner location
+    read_dataset(group, "lower_left", lower_left_);
+  } else {
+    fatal_error("Must specify lower_left dataset on a mesh.");
+  }
+
+  if (object_exists(group, "upper_right")) {
+
+    read_dataset(group, "upper_right", upper_right_);
+
+  } else {
+    fatal_error("Must specify either upper_right dataset on a mesh.");
+  }
+
+  if (int err = set_grid()) {
+    fatal_error(openmc_err_msg);
   }
 }
 
@@ -1343,6 +1493,19 @@ RectilinearMesh::RectilinearMesh(pugi::xml_node node) : StructuredMesh {node}
   }
 }
 
+RectilinearMesh::RectilinearMesh(hid_t group) : StructuredMesh {group}
+{
+  n_dimension_ = 3;
+
+  read_dataset(group, "x_grid", grid_[0]);
+  read_dataset(group, "y_grid", grid_[1]);
+  read_dataset(group, "z_grid", grid_[2]);
+
+  if (int err = set_grid()) {
+    fatal_error(openmc_err_msg);
+  }
+}
+
 const std::string RectilinearMesh::mesh_type = "rectilinear";
 
 std::string RectilinearMesh::get_mesh_type() const
@@ -1478,6 +1641,19 @@ CylindricalMesh::CylindricalMesh(pugi::xml_node node)
   }
 }
 
+CylindricalMesh::CylindricalMesh(hid_t group) : PeriodicStructuredMesh {group}
+{
+  n_dimension_ = 3;
+  read_dataset(group, "r_grid", grid_[0]);
+  read_dataset(group, "phi_grid", grid_[1]);
+  read_dataset(group, "z_grid", grid_[2]);
+  read_dataset(group, "origin", origin_);
+
+  if (int err = set_grid()) {
+    fatal_error(openmc_err_msg);
+  }
+}
+
 const std::string CylindricalMesh::mesh_type = "cylindrical";
 
 std::string CylindricalMesh::get_mesh_type() const
@@ -1756,6 +1932,20 @@ SphericalMesh::SphericalMesh(pugi::xml_node node)
   }
 }
 
+SphericalMesh::SphericalMesh(hid_t group) : PeriodicStructuredMesh {group}
+{
+  n_dimension_ = 3;
+
+  read_dataset(group, "r_grid", grid_[0]);
+  read_dataset(group, "theta_grid", grid_[1]);
+  read_dataset(group, "phi_grid", grid_[2]);
+  read_dataset(group, "origin", origin_);
+
+  if (int err = set_grid()) {
+    fatal_error(openmc_err_msg);
+  }
+}
+
 const std::string SphericalMesh::mesh_type = "spherical";
 
 std::string SphericalMesh::get_mesh_type() const
@@ -2520,6 +2710,11 @@ MOABMesh::MOABMesh(pugi::xml_node node) : UnstructuredMesh(node)
   initialize();
 }
 
+MOABMesh::MOABMesh(hid_t group) : UnstructuredMesh(group)
+{
+  initialize();
+}
+
 MOABMesh::MOABMesh(const std::string& filename, double length_multiplier)
   : UnstructuredMesh()
 {
@@ -3228,6 +3423,15 @@ LibMesh::LibMesh(pugi::xml_node node) : UnstructuredMesh(node)
   initialize();
 }
 
+LibMesh::LibMesh(hid_t group) : UnstructuredMesh(group)
+{
+  // filename_ and length_multiplier_ will already be set by the
+  // UnstructuredMesh constructor
+  set_mesh_pointer_from_filename(filename_);
+  set_length_multiplier(length_multiplier_);
+  initialize();
+}
+
 // create the mesh from a pointer to a libMesh Mesh
 LibMesh::LibMesh(libMesh::MeshBase& input_mesh, double length_multiplier)
 {
@@ -3618,34 +3822,51 @@ void read_meshes(pugi::xml_node root)
       mesh_lib = get_node_value(node, "library", true, true);
     }
 
-    // Read mesh and add to vector
-    if (mesh_type == RegularMesh::mesh_type) {
-      model::meshes.push_back(make_unique<RegularMesh>(node));
-    } else if (mesh_type == RectilinearMesh::mesh_type) {
-      model::meshes.push_back(make_unique<RectilinearMesh>(node));
-    } else if (mesh_type == CylindricalMesh::mesh_type) {
-      model::meshes.push_back(make_unique<CylindricalMesh>(node));
-    } else if (mesh_type == SphericalMesh::mesh_type) {
-      model::meshes.push_back(make_unique<SphericalMesh>(node));
-#ifdef OPENMC_DAGMC_ENABLED
-    } else if (mesh_type == UnstructuredMesh::mesh_type &&
-               mesh_lib == MOABMesh::mesh_lib_type) {
-      model::meshes.push_back(make_unique<MOABMesh>(node));
-#endif
-#ifdef OPENMC_LIBMESH_ENABLED
-    } else if (mesh_type == UnstructuredMesh::mesh_type &&
-               mesh_lib == LibMesh::mesh_lib_type) {
-      model::meshes.push_back(make_unique<LibMesh>(node));
-#endif
-    } else if (mesh_type == UnstructuredMesh::mesh_type) {
-      fatal_error("Unstructured mesh support is not enabled or the mesh "
-                  "library is invalid.");
-    } else {
-      fatal_error("Invalid mesh type: " + mesh_type);
+    Mesh::create(node, mesh_type, mesh_lib);
+  }
+}
+
+void read_meshes(hid_t group)
+{
+  std::unordered_set<int> mesh_ids;
+
+  std::vector<int> ids;
+  read_attribute(group, "ids", ids);
+
+  for (auto id : ids) {
+
+    // Check to make sure multiple meshes in the same file don't share IDs
+    if (contains(mesh_ids, id)) {
+      fatal_error(fmt::format("Two or more meshes use the same unique ID "
+                              "'{}' in the same HDF5 input file",
+        id));
+    }
+    mesh_ids.insert(id);
+
+    // If we've already read a mesh with the same ID in a *different* file,
+    // assume it is the same here
+    if (model::mesh_map.find(id) != model::mesh_map.end()) {
+      warning(fmt::format("Mesh with ID={} appears in multiple files.", id));
+      continue;
     }
 
-    // Map ID to position in vector
-    model::mesh_map[model::meshes.back()->id_] = model::meshes.size() - 1;
+    std::string name = fmt::format("mesh {}", id);
+    hid_t mesh_group = open_group(group, name.c_str());
+
+    std::string mesh_type;
+    if (object_exists(mesh_group, "type")) {
+      read_dataset(mesh_group, "type", mesh_type);
+    } else {
+      mesh_type = "regular";
+    }
+
+    // determine the mesh library to use
+    std::string mesh_lib;
+    if (object_exists(mesh_group, "library")) {
+      read_dataset(mesh_group, "library", mesh_lib);
+    }
+
+    Mesh::create(mesh_group, mesh_type, mesh_lib);
   }
 }
 
diff --git a/src/weight_windows.cpp b/src/weight_windows.cpp
index 26762ad18..0d648d333 100644
--- a/src/weight_windows.cpp
+++ b/src/weight_windows.cpp
@@ -1328,6 +1328,10 @@ extern "C" int openmc_weight_windows_import(const char* filename)
 
   hid_t weight_windows_group = open_group(ww_file, "weight_windows");
 
+  hid_t mesh_group = open_group(ww_file, "meshes");
+
+  read_meshes(mesh_group);
+
   std::vector<std::string> names = group_names(weight_windows_group);
 
   for (const auto& name : names) {
diff --git a/tests/cpp_unit_tests/CMakeLists.txt b/tests/cpp_unit_tests/CMakeLists.txt
index 8fedc2daa..5f87db9ea 100644
--- a/tests/cpp_unit_tests/CMakeLists.txt
+++ b/tests/cpp_unit_tests/CMakeLists.txt
@@ -5,6 +5,7 @@ set(TEST_NAMES
   test_interpolate
   test_math
   test_mcpl_stat_sum
+  test_mesh
   # Add additional unit test files here
 )
 
diff --git a/tests/cpp_unit_tests/test_mesh.cpp b/tests/cpp_unit_tests/test_mesh.cpp
new file mode 100644
index 000000000..24c4f7737
--- /dev/null
+++ b/tests/cpp_unit_tests/test_mesh.cpp
@@ -0,0 +1,257 @@
+#include <cstdio>
+#include <iostream>
+#include <string>
+
+#include <catch2/catch_test_macros.hpp>
+#include <pugixml.hpp>
+
+#include "openmc/hdf5_interface.h"
+#include "openmc/mesh.h"
+
+using namespace openmc;
+
+TEST_CASE("Test mesh hdf5 roundtrip - regular")
+{
+  // The XML data as a string
+  std::string xml_string = R"(
+        <mesh id="1">
+            <dimension>3 4 5</dimension>
+            <lower_left>-2 -3 -5</lower_left>
+            <upper_right>2 3 5</upper_right>
+       </mesh>
+    )";
+
+  // Create a pugixml document object
+  pugi::xml_document doc;
+
+  // Load the XML from the string
+  pugi::xml_parse_result result = doc.load_string(xml_string.c_str());
+
+  pugi::xml_node root = doc.child("mesh");
+
+  auto mesh = RegularMesh(root);
+
+  hid_t file_id = file_open("mesh.h5", 'w');
+
+  mesh.to_hdf5(file_id);
+
+  file_close(file_id);
+
+  hid_t file_id2 = file_open("mesh.h5", 'r');
+
+  hid_t group = open_group(file_id2, "mesh 1");
+
+  auto mesh2 = RegularMesh(group);
+
+  file_close(file_id2);
+
+  remove("mesh.h5");
+
+  REQUIRE(mesh2.shape_ == mesh.shape_);
+
+  REQUIRE(mesh2.lower_left() == mesh.lower_left());
+
+  REQUIRE(mesh2.upper_right() == mesh.upper_right());
+}
+
+TEST_CASE("Test mesh hdf5 roundtrip - rectilinear")
+{
+  // The XML data as a string
+  std::string xml_string = R"(
+        <mesh id="1" type="rectilinear">
+            <x_grid>0.0 1.0 5.0 10.0</x_grid>
+            <y_grid>-10.0 -5.0 0.0</y_grid>
+            <z_grid>-100.0 0.0 100.0</z_grid>
+        </mesh>
+    )";
+
+  // Create a pugixml document object
+  pugi::xml_document doc;
+
+  // Load the XML from the string
+  pugi::xml_parse_result result = doc.load_string(xml_string.c_str());
+
+  pugi::xml_node root = doc.child("mesh");
+
+  auto mesh = RectilinearMesh(root);
+
+  hid_t file_id = file_open("mesh.h5", 'w');
+
+  mesh.to_hdf5(file_id);
+
+  file_close(file_id);
+
+  hid_t file_id2 = file_open("mesh.h5", 'r');
+
+  hid_t group = open_group(file_id2, "mesh 1");
+
+  auto mesh2 = RectilinearMesh(group);
+
+  file_close(file_id2);
+
+  remove("mesh.h5");
+
+  REQUIRE(mesh2.shape_ == mesh.shape_);
+
+  REQUIRE(mesh2.grid_ == mesh.grid_);
+}
+
+TEST_CASE("Test mesh hdf5 roundtrip - cylindrical")
+{
+  // The XML data as a string
+  std::string xml_string = R"(
+        <mesh id="1" type="cylindrical">
+            <r_grid>0.1 0.2 0.5 1.0</r_grid>
+            <phi_grid>0.0 6.283185307179586</phi_grid>
+            <z_grid>0.1 0.2 0.4 0.6 1.0</z_grid>
+            <origin>0 0 0</origin>
+        </mesh>
+    )";
+
+  // Create a pugixml document object
+  pugi::xml_document doc;
+
+  // Load the XML from the string
+  pugi::xml_parse_result result = doc.load_string(xml_string.c_str());
+
+  pugi::xml_node root = doc.child("mesh");
+
+  auto mesh = CylindricalMesh(root);
+
+  hid_t file_id = file_open("mesh.h5", 'w');
+
+  mesh.to_hdf5(file_id);
+
+  file_close(file_id);
+
+  hid_t file_id2 = file_open("mesh.h5", 'r');
+
+  hid_t group = open_group(file_id2, "mesh 1");
+
+  auto mesh2 = CylindricalMesh(group);
+
+  file_close(file_id2);
+
+  remove("mesh.h5");
+
+  REQUIRE(mesh2.shape_ == mesh.shape_);
+
+  REQUIRE(mesh2.grid_ == mesh.grid_);
+}
+
+TEST_CASE("Test mesh hdf5 roundtrip - spherical")
+{
+  // The XML data as a string
+  std::string xml_string = R"(
+        <mesh id="1" type="spherical">
+            <r_grid>0.1 0.2 0.5 1.0</r_grid>
+            <theta_grid>0.0 3.141592653589793</theta_grid>
+            <phi_grid>0.0 6.283185307179586</phi_grid>
+            <origin>0.0 0.0 0.0</origin>
+        </mesh>'
+    )";
+
+  // Create a pugixml document object
+  pugi::xml_document doc;
+
+  // Load the XML from the string
+  pugi::xml_parse_result result = doc.load_string(xml_string.c_str());
+
+  pugi::xml_node root = doc.child("mesh");
+
+  auto mesh = SphericalMesh(root);
+
+  hid_t file_id = file_open("mesh.h5", 'w');
+
+  mesh.to_hdf5(file_id);
+
+  file_close(file_id);
+
+  hid_t file_id2 = file_open("mesh.h5", 'r');
+
+  hid_t group = open_group(file_id2, "mesh 1");
+
+  auto mesh2 = SphericalMesh(group);
+
+  file_close(file_id2);
+
+  remove("mesh.h5");
+
+  REQUIRE(mesh2.shape_ == mesh.shape_);
+
+  REQUIRE(mesh2.grid_ == mesh.grid_);
+}
+
+TEST_CASE("Test multiple meshes HDF5 roundtrip - spherical")
+{
+  // The XML data as a string
+  std::string xml_string = R"(
+        <meshes>
+        <mesh id="1" type="spherical">
+            <r_grid>0.1 0.2 0.5 1.0</r_grid>
+            <theta_grid>0.0 3.141592653589793</theta_grid>
+            <phi_grid>0.0 6.283185307179586</phi_grid>
+            <origin>0.0 0.0 0.0</origin>
+        </mesh>
+         <mesh id="2">
+            <dimension>3 4 5</dimension>
+            <lower_left>-2 -3 -5</lower_left>
+            <upper_right>2 3 5</upper_right>
+       </mesh>
+       </meshes>
+    )";
+
+  // Create a pugixml document object
+  pugi::xml_document doc;
+
+  // Load the XML from the string
+  pugi::xml_parse_result result = doc.load_string(xml_string.c_str());
+
+  pugi::xml_node root = doc.child("meshes");
+
+  read_meshes(root);
+
+  const auto spherical_mesh_xml =
+    dynamic_cast<SphericalMesh*>(model::meshes[0].get());
+  const auto regular_mesh_xml =
+    dynamic_cast<RegularMesh*>(model::meshes[1].get());
+
+  hid_t file_id = file_open("meshes.h5", 'w');
+
+  hid_t root_group = create_group(file_id, "root");
+
+  open_group(file_id, "root");
+
+  meshes_to_hdf5(root_group);
+
+  close_group(root_group);
+
+  file_close(file_id);
+
+  hid_t file_id2 = file_open("meshes.h5", 'r');
+
+  hid_t root_group_read = open_group(file_id2, "root");
+
+  hid_t mesh_group_read = open_group(root_group_read, "meshes");
+
+  read_meshes(mesh_group_read);
+
+  // increment mesh IDs to avoid collision during read
+  for (auto& mesh : model::meshes) {
+    mesh->set_id(mesh->id() + 10);
+  }
+
+  const auto spherical_mesh_hdf5 = dynamic_cast<SphericalMesh*>(
+    model::meshes[model::mesh_map[spherical_mesh_xml->id_]].get());
+  const auto regular_mesh_hdf5 = dynamic_cast<RegularMesh*>(
+    model::meshes[model::mesh_map[regular_mesh_xml->id_]].get());
+
+  remove("meshes.h5");
+
+  REQUIRE(spherical_mesh_hdf5->shape_ == spherical_mesh_xml->shape_);
+  REQUIRE(spherical_mesh_hdf5->grid_ == spherical_mesh_xml->grid_);
+
+  REQUIRE(regular_mesh_hdf5->shape_ == regular_mesh_xml->shape_);
+  REQUIRE(regular_mesh_hdf5->lower_left() == regular_mesh_xml->lower_left());
+  REQUIRE(regular_mesh_hdf5->upper_right() == regular_mesh_xml->upper_right());
+}

From 70b52546624cb3a654189856d8c9e012624c7672 Mon Sep 17 00:00:00 2001
From: John Tramm <john.tramm@gmail.com>
Date: Mon, 27 Oct 2025 03:30:54 -0500
Subject: [PATCH 2416/2654] Random Ray Geometry Debug Mode Fix (#3615)

---
 src/random_ray/random_ray.cpp | 4 ++++
 1 file changed, 4 insertions(+)

diff --git a/src/random_ray/random_ray.cpp b/src/random_ray/random_ray.cpp
index 89a91449d..c19d136a4 100644
--- a/src/random_ray/random_ray.cpp
+++ b/src/random_ray/random_ray.cpp
@@ -278,6 +278,10 @@ uint64_t RandomRay::transport_history_based_single_ray()
 // Transports ray across a single source region
 void RandomRay::event_advance_ray()
 {
+  // If geometry debug mode is on, check for cell overlaps
+  if (settings::check_overlaps)
+    check_cell_overlap(*this);
+
   // Find the distance to the nearest boundary
   boundary() = distance_to_boundary(*this);
   double distance = boundary().distance();

From 230db28d39ae1e3011e3ad85cb8b5090693fe862 Mon Sep 17 00:00:00 2001
From: John Tramm <john.tramm@gmail.com>
Date: Tue, 28 Oct 2025 03:22:37 -0500
Subject: [PATCH 2417/2654] FW-CADIS Disregard Max Realizations Setting (#3616)

---
 docs/source/usersguide/variance_reduction.rst |  3 +--
 src/simulation.cpp                            |  7 ++-----
 src/weight_windows.cpp                        | 15 +++++++++++----
 3 files changed, 14 insertions(+), 11 deletions(-)

diff --git a/docs/source/usersguide/variance_reduction.rst b/docs/source/usersguide/variance_reduction.rst
index 369e33e2d..5c2485158 100644
--- a/docs/source/usersguide/variance_reduction.rst
+++ b/docs/source/usersguide/variance_reduction.rst
@@ -133,8 +133,7 @@ random ray mode can be found in the :ref:`Random Ray User Guide <random_ray>`.
        # we used for source region decomposition
        wwg = openmc.WeightWindowGenerator(
            method='fw_cadis',
-           mesh=mesh,
-           max_realizations=settings.batches
+           mesh=mesh
        )
 
        # Add generator to openmc.settings object
diff --git a/src/simulation.cpp b/src/simulation.cpp
index f55546c4c..05d554526 100644
--- a/src/simulation.cpp
+++ b/src/simulation.cpp
@@ -400,11 +400,8 @@ void finalize_batch()
   simulation::time_tallies.stop();
 
   // update weight windows if needed
-  if (settings::solver_type != SolverType::RANDOM_RAY ||
-      simulation::current_batch == settings::n_batches) {
-    for (const auto& wwg : variance_reduction::weight_windows_generators) {
-      wwg->update();
-    }
+  for (const auto& wwg : variance_reduction::weight_windows_generators) {
+    wwg->update();
   }
 
   // Reset global tally results
diff --git a/src/weight_windows.cpp b/src/weight_windows.cpp
index 0d648d333..674fae49c 100644
--- a/src/weight_windows.cpp
+++ b/src/weight_windows.cpp
@@ -26,6 +26,7 @@
 #include "openmc/random_ray/flat_source_domain.h"
 #include "openmc/search.h"
 #include "openmc/settings.h"
+#include "openmc/simulation.h"
 #include "openmc/tallies/filter_energy.h"
 #include "openmc/tallies/filter_mesh.h"
 #include "openmc/tallies/filter_particle.h"
@@ -966,11 +967,17 @@ void WeightWindowsGenerator::update() const
 
   Tally* tally = model::tallies[tally_idx_].get();
 
-  // if we're beyond the number of max realizations or not at the corrrect
-  // update interval, skip the update
-  if (max_realizations_ < tally->n_realizations_ ||
-      tally->n_realizations_ % update_interval_ != 0)
+  // If in random ray mode, only update on the last batch
+  if (settings::solver_type == SolverType::RANDOM_RAY) {
+    if (simulation::current_batch != settings::n_batches) {
+      return;
+    }
+    // If in Monte Carlo mode and beyond the number of max realizations or
+    // not at the correct update interval, skip the update
+  } else if (max_realizations_ < tally->n_realizations_ ||
+             tally->n_realizations_ % update_interval_ != 0) {
     return;
+  }
 
   wws->update_weights(tally, tally_value_, threshold_, ratio_, method_);
 

From f10d7d9f67375acb088d01e82bab957617f18e39 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 28 Oct 2025 03:23:16 -0500
Subject: [PATCH 2418/2654] Speed up `apply_time_correction` by reducing file
 I/O and deepcopies (#3617)

---
 openmc/deplete/d1s.py        | 27 ++++++++++++++++-----------
 tests/unit_tests/test_d1s.py | 14 ++++++++++++++
 2 files changed, 30 insertions(+), 11 deletions(-)

diff --git a/openmc/deplete/d1s.py b/openmc/deplete/d1s.py
index f51dea416..bc99fc42d 100644
--- a/openmc/deplete/d1s.py
+++ b/openmc/deplete/d1s.py
@@ -5,7 +5,7 @@ shutdown dose rate calculations.
 
 """
 
-from copy import deepcopy
+from copy import copy
 from typing import Sequence
 from math import log, prod
 
@@ -164,8 +164,12 @@ def apply_time_correction(
     radionuclides = [str(x) for x in tally.filters[i_filter].bins]
     tcf = np.array([time_correction_factors[x][index] for x in radionuclides])
 
-    # Create copy of tally
-    new_tally = deepcopy(tally)
+    # Force tally results to be read and std_dev to be computed
+    tally.std_dev
+
+    # Create shallow copy of tally
+    new_tally = copy(tally)
+    new_tally._filters = copy(tally._filters)
 
     # Determine number of bins in other filters
     n_bins_before = prod([f.num_bins for f in tally.filters[:i_filter]])
@@ -177,32 +181,33 @@ def apply_time_correction(
     shape = (n_bins_before, n_radionuclides, n_bins_after, n_nuclides, n_scores)
     tally_sum = new_tally.sum.reshape(shape)
     tally_sum_sq = new_tally.sum_sq.reshape(shape)
+    tally_mean = new_tally.mean.reshape(shape)
+    tally_std_dev = new_tally.std_dev.reshape(shape)
 
     # Apply TCF, broadcasting to the correct dimensions
     tcf.shape = (1, -1, 1, 1, 1)
     new_tally._sum = tally_sum * tcf
     new_tally._sum_sq = tally_sum_sq * (tcf*tcf)
-    new_tally._mean = None
-    new_tally._std_dev = None
+    new_tally._mean = tally_mean * tcf
+    new_tally._std_dev = tally_std_dev * tcf
 
     shape = (-1, n_nuclides, n_scores)
 
     if sum_nuclides:
-        # Query the mean and standard deviation
-        mean = new_tally.mean
-        std_dev = new_tally.std_dev
-
         # Sum over parent nuclides (note that when combining different bins for
         # parent nuclide, we can't work directly on sum_sq)
-        new_tally._mean = mean.sum(axis=1).reshape(shape)
-        new_tally._std_dev = np.linalg.norm(std_dev, axis=1).reshape(shape)
+        new_tally._mean = new_tally.mean.sum(axis=1).reshape(shape)
+        new_tally._std_dev = np.linalg.norm(new_tally.std_dev, axis=1).reshape(shape)
         new_tally._derived = True
 
         # Remove ParentNuclideFilter
         new_tally.filters.pop(i_filter)
     else:
+        # Change shape back to (filter combinations, nuclides, scores)
         new_tally._sum.shape = shape
         new_tally._sum_sq.shape = shape
+        new_tally._mean.shape = shape
+        new_tally._std_dev.shape = shape
 
     return new_tally
 
diff --git a/tests/unit_tests/test_d1s.py b/tests/unit_tests/test_d1s.py
index 9410f2da2..8f3b62f40 100644
--- a/tests/unit_tests/test_d1s.py
+++ b/tests/unit_tests/test_d1s.py
@@ -120,6 +120,13 @@ def test_apply_time_correction(run_in_tmpdir):
         tally = sp.tallies[tally.id]
         flux = tally.mean.flatten()
 
+    # Copy attributes from original tally
+    tally_filters = list(tally.filters)
+    tally_sum = tally.sum.copy()
+    tally_sum_sq = tally.sum_sq.copy()
+    tally_mean = tally.mean.copy()
+    tally_std_dev = tally.std_dev.copy()
+
     # Apply TCF and make sure results are consistent
     result = d1s.apply_time_correction(tally, factors, sum_nuclides=False)
     tcf = np.array([factors[nuc][-1] for nuc in nuclides])
@@ -129,6 +136,13 @@ def test_apply_time_correction(run_in_tmpdir):
     result_summed = d1s.apply_time_correction(tally, factors)
     assert result_summed.mean.flatten()[0] == pytest.approx(result.mean.sum())
 
+    # Make sure original tally is unchanged
+    assert tally.filters == tally_filters
+    assert np.all(tally.sum == tally_sum)
+    assert np.all(tally.sum_sq == tally_sum_sq)
+    assert np.all(tally.mean == tally_mean)
+    assert np.all(tally.std_dev == tally_std_dev)
+
     # Make sure various tally methods work
     result.get_values()
     result_summed.get_values()

From a74c1424a8a883066b2c0afe4b23f20c84cbb815 Mon Sep 17 00:00:00 2001
From: Makarand More <40858007+Jarvis2001@users.noreply.github.com>
Date: Tue, 28 Oct 2025 20:20:11 +0530
Subject: [PATCH 2419/2654] Update `check_type` calls to accept both `str` and
 `os.PathLike` objects. (#3618)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/checkvalue.py                     |  2 +-
 openmc/mgxs/library.py                   |  7 ++--
 openmc/mgxs/mdgxs.py                     |  3 +-
 openmc/mgxs/mgxs.py                      |  3 +-
 openmc/mgxs_library.py                   |  5 ++-
 openmc/plots.py                          |  2 +-
 tests/unit_tests/test_pathlike_simple.py | 46 ++++++++++++++++++++++++
 7 files changed, 58 insertions(+), 10 deletions(-)
 create mode 100644 tests/unit_tests/test_pathlike_simple.py

diff --git a/openmc/checkvalue.py b/openmc/checkvalue.py
index 4fa205b14..5ff2cf9ac 100644
--- a/openmc/checkvalue.py
+++ b/openmc/checkvalue.py
@@ -37,7 +37,7 @@ def check_type(name, value, expected_type, expected_iter_type=None, *, none_ok=F
                       [t.__name__ for t in expected_type]))
         else:
             msg = (f'Unable to set "{name}" to "{value}" which is not of type "'
-                   f'{expected_type.__name__}"')
+                   f'{expected_type}"')
         raise TypeError(msg)
 
     if expected_iter_type:
diff --git a/openmc/mgxs/library.py b/openmc/mgxs/library.py
index 12a4630bd..f782cbe9e 100644
--- a/openmc/mgxs/library.py
+++ b/openmc/mgxs/library.py
@@ -10,6 +10,7 @@ import numpy as np
 import openmc
 import openmc.mgxs
 import openmc.checkvalue as cv
+from openmc.checkvalue import PathLike
 from ..tallies import ESTIMATOR_TYPES
 
 
@@ -851,7 +852,7 @@ class Library:
                   'since a statepoint has not yet been loaded'
             raise ValueError(msg)
 
-        cv.check_type('filename', filename, str)
+        cv.check_type('filename', filename, (str, PathLike))
         cv.check_type('directory', directory, str)
 
         import h5py
@@ -894,7 +895,7 @@ class Library:
 
         """
 
-        cv.check_type('filename', filename, str)
+        cv.check_type('filename', filename, (str, PathLike))
         cv.check_type('directory', directory, str)
 
         # Make directory if it does not exist
@@ -930,7 +931,7 @@ class Library:
 
         """
 
-        cv.check_type('filename', filename, str)
+        cv.check_type('filename', filename, (str, PathLike))
         cv.check_type('directory', directory, str)
 
         # Make directory if it does not exist
diff --git a/openmc/mgxs/mdgxs.py b/openmc/mgxs/mdgxs.py
index b95a4fbc0..c12c1a9ab 100644
--- a/openmc/mgxs/mdgxs.py
+++ b/openmc/mgxs/mdgxs.py
@@ -7,6 +7,7 @@ import numpy as np
 
 import openmc
 import openmc.checkvalue as cv
+from openmc.checkvalue import PathLike
 from openmc.mgxs import MGXS
 from .mgxs import _DOMAIN_TO_FILTER
 
@@ -722,7 +723,7 @@ class MDGXS(MGXS):
 
         """
 
-        cv.check_type('filename', filename, str)
+        cv.check_type('filename', filename, (str, PathLike))
         cv.check_type('directory', directory, str)
         cv.check_value('format', format, ['csv', 'excel', 'pickle', 'latex'])
         cv.check_value('xs_type', xs_type, ['macro', 'micro'])
diff --git a/openmc/mgxs/mgxs.py b/openmc/mgxs/mgxs.py
index b8f2b8d3f..533ab0ad3 100644
--- a/openmc/mgxs/mgxs.py
+++ b/openmc/mgxs/mgxs.py
@@ -10,6 +10,7 @@ import numpy as np
 import openmc
 from openmc.data import REACTION_MT, REACTION_NAME, FISSION_MTS
 import openmc.checkvalue as cv
+from openmc.checkvalue import PathLike
 from ..tallies import ESTIMATOR_TYPES
 from . import EnergyGroups
 
@@ -1982,7 +1983,7 @@ class MGXS:
 
         """
 
-        cv.check_type('filename', filename, str)
+        cv.check_type('filename', filename, (str, PathLike))
         cv.check_type('directory', directory, str)
         cv.check_value('format', format, ['csv', 'excel', 'pickle', 'latex'])
         cv.check_value('xs_type', xs_type, ['macro', 'micro'])
diff --git a/openmc/mgxs_library.py b/openmc/mgxs_library.py
index ce86f97df..4bc2d4a5a 100644
--- a/openmc/mgxs_library.py
+++ b/openmc/mgxs_library.py
@@ -2514,8 +2514,7 @@ class MGXSLibrary:
 
         """
 
-        check_type('filename', filename, PathLike)
-
+        check_type('filename', filename, (str, PathLike))
         # Create and write to the HDF5 file
         file = h5py.File(filename, "w", libver=libver)
         file.attrs['filetype'] = np.bytes_(_FILETYPE_MGXS_LIBRARY)
@@ -2554,7 +2553,7 @@ class MGXSLibrary:
             raise ValueError("Either path or openmc.config['mg_cross_sections']"
                              "must be set")
 
-        check_type('filename', filename, str)
+        check_type('filename', filename, (str, PathLike))
         file = h5py.File(filename, 'r')
 
         # Check filetype and version
diff --git a/openmc/plots.py b/openmc/plots.py
index e9130f0be..a0bde3f00 100644
--- a/openmc/plots.py
+++ b/openmc/plots.py
@@ -439,7 +439,7 @@ class PlotBase(IDManagerMixin):
 
     @filename.setter
     def filename(self, filename):
-        cv.check_type('filename', filename, str)
+        cv.check_type('filename', filename, (str, PathLike))
         self._filename = filename
 
     @property
diff --git a/tests/unit_tests/test_pathlike_simple.py b/tests/unit_tests/test_pathlike_simple.py
new file mode 100644
index 000000000..e0116bf01
--- /dev/null
+++ b/tests/unit_tests/test_pathlike_simple.py
@@ -0,0 +1,46 @@
+"""Simple test for PathLike filename support"""
+
+from pathlib import Path
+
+import pytest
+import openmc
+from openmc.checkvalue import check_type, PathLike
+
+
+def test_pathlike_type_checking():
+    """Test that PathLike type checking works correctly"""
+
+    # Test with string (should work)
+    check_type('filename', 'test.txt', PathLike)
+
+    # Test with Path object (should work)
+    path_obj = Path('test.txt')
+    check_type('filename', path_obj, PathLike)
+
+    # Test with Path object containing subdirectories (should work)
+    path_with_subdir = Path('subdir') / 'test.txt'
+    check_type('filename', path_with_subdir, PathLike)
+
+    # Test with invalid type (should raise TypeError)
+    with pytest.raises(TypeError):
+        check_type('filename', 123, PathLike)
+
+
+def test_plot_filename_pathlike():
+    """Test that plot filename accepts Path objects"""
+
+    plot = openmc.Plot()
+
+    # Test with string (should still work)
+    plot.filename = "test_plot"
+    assert plot.filename == "test_plot"
+
+    # Test with Path object
+    path_obj = Path("test_plot_path")
+    plot.filename = path_obj
+    assert plot.filename == path_obj
+
+    # Test with Path object containing subdirectories
+    path_with_subdir = Path("subdir") / "test_plot"
+    plot.filename = path_with_subdir
+    assert plot.filename == path_with_subdir

From 4c4176661124fe92f5304d20d1b6e7675c44d455 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 28 Oct 2025 11:36:03 -0500
Subject: [PATCH 2420/2654] Criticality search method on the Model class
 (#3569)

---
 openmc/model/model.py          | 270 ++++++++++++++++++++++++++++++++-
 src/settings.cpp               |   5 -
 tests/unit_tests/test_lib.py   |   3 -
 tests/unit_tests/test_model.py |  57 +++++++
 4 files changed, 326 insertions(+), 9 deletions(-)

diff --git a/openmc/model/model.py b/openmc/model/model.py
index c1ffafafd..7963751d5 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -1,6 +1,7 @@
 from __future__ import annotations
-from collections.abc import Iterable, Sequence
+from collections.abc import Callable, Iterable, Sequence
 import copy
+from dataclasses import dataclass, field
 from functools import cache
 from pathlib import Path
 import math
@@ -8,11 +9,13 @@ from numbers import Integral, Real
 import random
 import re
 from tempfile import NamedTemporaryFile, TemporaryDirectory
+from typing import Any, Protocol
 import warnings
 
 import h5py
 import lxml.etree as ET
 import numpy as np
+from scipy.optimize import curve_fit
 
 import openmc
 import openmc._xml as xml
@@ -24,6 +27,12 @@ from openmc.plots import add_plot_params, _BASIS_INDICES
 from openmc.utility_funcs import change_directory
 
 
+# Protocol for a function that is passed to search_keff
+class ModelModifier(Protocol):
+    def __call__(self, val: float, **kwargs: Any) -> None:
+        ...
+
+
 class Model:
     """Model container.
 
@@ -2196,3 +2205,262 @@ class Model:
 
         # Take a wild guess as to how many rays are needed
         self.settings.particles = 2 * int(max_length)
+
+    def keff_search(
+        self,
+        func: ModelModifier,
+        x0: float,
+        x1: float,
+        target: float = 1.0,
+        k_tol: float = 1e-4,
+        sigma_final: float = 3e-4,
+        p: float = 0.5,
+        q: float = 0.95,
+        memory: int = 4,
+        x_min: float | None = None,
+        x_max: float | None = None,
+        b0: int | None = None,
+        b_min: int = 20,
+        b_max: int | None = None,
+        maxiter: int = 50,
+        output: bool = False,
+        func_kwargs: dict[str, Any] | None = None,
+        run_kwargs: dict[str, Any] | None = None,
+    ) -> SearchResult:
+        r"""Perform a keff search on a model parametrized by a single variable.
+
+        This method uses the GRsecant method described in a paper by `Price and
+        Roskoff <https://doi.org/10.1016/j.pnucene.2023.104731>`_. The GRsecant
+        method is a modification of the secant method that accounts for
+        uncertainties in the function evaluations. The method uses a weighted
+        linear fit of the most recent function evaluations to predict the next
+        point to evaluate. It also adaptively changes the number of batches to
+        meet the target uncertainty value at each iteration.
+
+        The target uncertainty for iteration :math:`n+1` is determined by the
+        following equation (following Eq. (8) in the paper):
+
+        .. math::
+            \sigma_{i+1} = q \sigma_\text{final} \left ( \frac{ \min \left \{
+            \left\lvert k_i - k_\text{target} \right\rvert : k=0,1,\dots,n
+            \right \} }{k_\text{tol}} \right )^p
+
+        where :math:`q` is a multiplicative factor less than 1, given as the
+        ``sigma_factor`` parameter below.
+
+        Parameters
+        ----------
+        func : ModelModifier
+            Function that takes the parameter to be searched and makes a
+            modification to the model.
+        x0 : float
+            First guess for the parameter passed to `func`
+        x1 : float
+            Second guess for the parameter passed to `func`
+        target : float, optional
+            keff value to search for
+        k_tol : float, optional
+            Stopping criterion on the function value; the absolute value must be
+            within ``k_tol`` of zero to be accepted.
+        sigma_final : float, optional
+            Maximum accepted k-effective uncertainty for the stopping criterion.
+        p : float, optional
+            Exponent used in the stopping criterion.
+        q : float, optional
+            Multiplicative factor used in the stopping criterion.
+        memory : int, optional
+            Number of most-recent points used in the weighted linear fit of
+            ``f(x) = a + b x`` to predict the next point.
+        x_min : float, optional
+            Minimum allowed value for the parameter ``x``.
+        x_max : float, optional
+            Maximum allowed value for the parameter ``x``.
+        b0 : int, optional
+            Number of active batches to use for the initial function
+            evaluations. If None, uses the model's current setting.
+        b_min : int, optional
+            Minimum number of active batches to use in a function evaluation.
+        b_max : int, optional
+            Maximum number of active batches to use in a function evaluation.
+        maxiter : int, optional
+            Maximum number of iterations to perform.
+        output : bool, optional
+            Whether or not to display output showing iteration progress.
+        func_kwargs : dict, optional
+            Keyword-based arguments to pass to the `func` function.
+        run_kwargs : dict, optional
+            Keyword arguments to pass to :meth:`openmc.Model.run` or
+            :meth:`openmc.lib.run`.
+
+        Returns
+        -------
+        SearchResult
+            Result object containing the estimated root (parameter value) and
+            evaluation history (parameters, means, standard deviations, and
+            batches), plus convergence status and termination reason.
+
+        """
+        import openmc.lib
+
+        check_type('model modifier', func, Callable)
+        check_type('target', target, Real)
+        if memory < 2:
+            raise ValueError("memory must be ≥ 2")
+        func_kwargs = {} if func_kwargs is None else dict(func_kwargs)
+        run_kwargs = {} if run_kwargs is None else dict(run_kwargs)
+        run_kwargs.setdefault('output', False)
+
+        # Create lists to store the history of evaluations
+        xs: list[float] = []
+        fs: list[float] = []
+        ss: list[float] = []
+        gs: list[int] = []
+        count = 0
+
+        # Helper function to evaluate f and store results
+        def eval_at(x: float, batches: int) -> tuple[float, float]:
+            # Modify the model with the current guess
+            func(x, **func_kwargs)
+
+            # Change the number of batches and run the model
+            batches += self.settings.inactive
+            if openmc.lib.is_initialized:
+                openmc.lib.settings.set_batches(batches)
+                openmc.lib.reset()
+                openmc.lib.run(**run_kwargs)
+                sp_filepath = f'statepoint.{batches}.h5'
+            else:
+                self.settings.batches = batches
+                sp_filepath = self.run(**run_kwargs)
+
+            # Extract keff and its uncertainty
+            with openmc.StatePoint(sp_filepath) as sp:
+                keff = sp.keff
+
+            if output:
+                nonlocal count
+                count += 1
+                print(f'Iteration {count}: {batches=}, {x=:.6g}, {keff=:.5f}')
+
+            xs.append(float(x))
+            fs.append(float(keff.n - target))
+            ss.append(float(keff.s))
+            gs.append(int(batches))
+            return fs[-1], ss[-1]
+
+        # Default b0 to current model settings if not explicitly provided
+        if b0 is None:
+            b0 = self.settings.batches - self.settings.inactive
+
+        # Perform the search (inlined GRsecant) in a temporary directory
+        with TemporaryDirectory() as tmpdir:
+            if not openmc.lib.is_initialized:
+                run_kwargs.setdefault('cwd', tmpdir)
+
+            # ---- Seed with two evaluations
+            f0, s0 = eval_at(x0, b0)
+            if abs(f0) <= k_tol and s0 <= sigma_final:
+                return SearchResult(x0, xs, fs, ss, gs, True, "converged")
+            f1, s1 = eval_at(x1, b0)
+            if abs(f1) <= k_tol and s1 <= sigma_final:
+                return SearchResult(x1, xs, fs, ss, gs, True, "converged")
+
+            for _ in range(maxiter - 2):
+                # ------ Step 1: propose next x via GRsecant
+                m = min(memory, len(xs))
+
+                # Perform a curve fit on f(x) = a + bx accounting for
+                # uncertainties. This is equivalent to minimizing the function
+                # in Equation (A.14)
+                (a, b), _ = curve_fit(
+                    lambda x, a, b: a + b*x,
+                    xs[-m:], fs[-m:], sigma=ss[-m:], absolute_sigma=True
+                )
+                x_new = float(-a / b)
+
+                # Clamp x_new to the bounds if provided
+                if x_min is not None:
+                    x_new = max(x_new, x_min)
+                if x_max is not None:
+                    x_new = min(x_new, x_max)
+
+                # ------ Step 2: choose target σ for next run (Eq. 8 + clamp)
+
+                min_abs_f = float(np.min(np.abs(fs)))
+                base = q * sigma_final
+                ratio = min_abs_f / k_tol if k_tol > 0 else 1.0
+                sig = base * (ratio ** p)
+                sig_target = max(sig, base)
+
+                # ------ Step 3: choose generations to hit σ_target (Appendix C)
+
+                # Use at least two past points for regression
+                if len(gs) >= 2 and np.var(np.log(gs)) > 0.0:
+                    # Perform a curve fit based on Eq. (C.3) to solve for ln(k).
+                    # Note that unlike in the paper, we do not leave r as an
+                    # undetermined parameter and choose r=0.5.
+                    (ln_k,), _ = curve_fit(
+                        lambda ln_b, ln_k: ln_k - 0.5*ln_b,
+                        np.log(gs[-4:]), np.log(ss[-4:]),
+                    )
+                    k = float(np.exp(ln_k))
+                else:
+                    k = float(ss[-1] * math.sqrt(gs[-1]))
+
+                b_new = (k / sig_target) ** 2
+
+                # Clamp and round up to integer
+                b_new = max(b_min, math.ceil(b_new))
+                if b_max is not None:
+                    b_new = min(b_new, b_max)
+
+                # Evaluate at proposed x with batches determined above
+                f_new, s_new = eval_at(x_new, b_new)
+
+                # Termination based on both criteria (|f| and σ)
+                if abs(f_new) <= k_tol and s_new <= sigma_final:
+                    return SearchResult(x_new, xs, fs, ss, gs, True, "converged")
+
+            return SearchResult(xs[-1], xs, fs, ss, gs, False, "maxiter")
+
+
+@dataclass
+class SearchResult:
+    """Result of a GRsecant keff search.
+
+    Attributes
+    ----------
+    root : float
+        Estimated parameter value where f(x) = 0 at termination.
+    parameters : list[float]
+        Parameter values (x) evaluated during the search, in order.
+    keffs : list[float]
+        Estimated keff values for each evaluation.
+    stdevs : list[float]
+        One-sigma uncertainties of keff for each evaluation.
+    batches : list[int]
+        Number of active batches used for each evaluation.
+    converged : bool
+        Whether both |f| <= k_tol and sigma <= sigma_final were met.
+    flag : str
+        Reason for termination (e.g., "converged", "maxiter").
+    """
+    root: float
+    parameters: list[float] = field(repr=False)
+    means: list[float] = field(repr=False)
+    stdevs: list[float] = field(repr=False)
+    batches: list[int] = field(repr=False)
+    converged: bool
+    flag: str
+
+    @property
+    def function_calls(self) -> int:
+        """Number of function evaluations performed."""
+        return len(self.parameters)
+
+    @property
+    def total_batches(self) -> int:
+        """Total number of active batches used across all evaluations."""
+        return sum(self.batches)
+
+
diff --git a/src/settings.cpp b/src/settings.cpp
index 325256cdc..13b91b0e4 100644
--- a/src/settings.cpp
+++ b/src/settings.cpp
@@ -1220,11 +1220,6 @@ extern "C" int openmc_set_n_batches(
     return OPENMC_E_INVALID_ARGUMENT;
   }
 
-  if (simulation::current_batch >= n_batches) {
-    set_errmsg("Number of batches must be greater than current batch.");
-    return OPENMC_E_INVALID_ARGUMENT;
-  }
-
   if (!settings::trigger_on) {
     // Set n_batches and n_max_batches to same value
     settings::n_batches = n_batches;
diff --git a/tests/unit_tests/test_lib.py b/tests/unit_tests/test_lib.py
index 43bc5a8f6..eb4dc3dce 100644
--- a/tests/unit_tests/test_lib.py
+++ b/tests/unit_tests/test_lib.py
@@ -496,9 +496,6 @@ def test_set_n_batches(lib_run):
 
     for i in range(7):
         openmc.lib.next_batch()
-    # Setting n_batches less than current_batch should raise error
-    with pytest.raises(exc.InvalidArgumentError):
-        settings.set_batches(6)
     # n_batches should stay the same
     assert settings.get_batches() == 10
 
diff --git a/tests/unit_tests/test_model.py b/tests/unit_tests/test_model.py
index 60f8b1a25..f4f94a47c 100644
--- a/tests/unit_tests/test_model.py
+++ b/tests/unit_tests/test_model.py
@@ -901,6 +901,7 @@ def test_id_map_aligned_model():
     assert tr_instance == 3, f"Expected cell instance 3 at top-right corner, got {tr_instance}"
     assert tr_material == 5, f"Expected material ID 5 at top-right corner, got {tr_material}"
 
+
 def test_setter_from_list():
     mat = openmc.Material()
     model = openmc.Model(materials=[mat])
@@ -913,3 +914,59 @@ def test_setter_from_list():
     plot = openmc.Plot()
     model = openmc.Model(plots=[plot])
     assert isinstance(model.plots, openmc.Plots)
+
+
+def test_keff_search(run_in_tmpdir):
+    """Test the Model.keff_search method"""
+
+    # Create model of a sphere of U235
+    mat = openmc.Material()
+    mat.set_density('g/cm3', 18.9)
+    mat.add_nuclide('U235', 1.0)
+    sphere = openmc.Sphere(r=10.0, boundary_type='vacuum')
+    cell = openmc.Cell(fill=mat, region=-sphere)
+    geometry = openmc.Geometry([cell])
+    settings = openmc.Settings(particles=1000, inactive=10, batches=30)
+    model = openmc.Model(geometry=geometry, settings=settings)
+
+    # Define function to modify sphere radius
+    def modify_radius(radius):
+        sphere.r = radius
+
+    # Perform keff search
+    k_tol = 4e-3
+    sigma_final = 2e-3
+    result = model.keff_search(
+        func=modify_radius,
+        x0=6.0,
+        x1=9.0,
+        k_tol=k_tol,
+        sigma_final=sigma_final,
+        output=True,
+    )
+
+    final_keff = result.means[-1] + 1.0  # Add back target since means are (keff - target)
+    final_sigma = result.stdevs[-1]
+
+    # Check for convergence and that tolerances are met
+    assert result.converged, "keff_search did not converge"
+    assert abs(final_keff - 1.0) <= k_tol, \
+        f"Final keff {final_keff:.5f} not within k_tol {k_tol}"
+    assert final_sigma <= sigma_final, \
+        f"Final uncertainty {final_sigma:.5f} exceeds sigma_final {sigma_final}"
+
+    # Check type of result
+    assert isinstance(result, openmc.model.SearchResult)
+
+    # Check that we have function evaluation history
+    assert len(result.parameters) >= 2
+    assert len(result.means) == len(result.parameters)
+    assert len(result.stdevs) == len(result.parameters)
+    assert len(result.batches) == len(result.parameters)
+
+    # Check that function_calls property works
+    assert result.function_calls == len(result.parameters)
+
+    # Check that total_batches property works
+    assert result.total_batches == sum(result.batches)
+    assert result.total_batches > 0

From 5fc289b99d6ace24d6bcf736a77cfef4c59f6a82 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 31 Oct 2025 19:15:25 -0500
Subject: [PATCH 2421/2654] Automate workflow for mesh- or cell-based R2S
 calculations (#3508)

Co-authored-by: Ethan Peterson <eepeterson3@gmail.com>
Co-authored-by: Jonathan Shimwell <drshimwell@gmail.com>
---
 docs/source/pythonapi/deplete.rst        |  10 +
 docs/source/usersguide/decay_sources.rst | 205 ++++++-
 openmc/deplete/__init__.py               |   1 +
 openmc/deplete/microxs.py                | 113 +++-
 openmc/deplete/r2s.py                    | 680 +++++++++++++++++++++++
 openmc/mesh.py                           |  18 +-
 openmc/model/model.py                    |  23 +
 openmc/utility_funcs.py                  |  19 +
 tests/unit_tests/test_r2s.py             | 152 +++++
 9 files changed, 1173 insertions(+), 48 deletions(-)
 create mode 100644 openmc/deplete/r2s.py
 create mode 100644 tests/unit_tests/test_r2s.py

diff --git a/docs/source/pythonapi/deplete.rst b/docs/source/pythonapi/deplete.rst
index f112cf8cc..25fcd898f 100644
--- a/docs/source/pythonapi/deplete.rst
+++ b/docs/source/pythonapi/deplete.rst
@@ -287,6 +287,16 @@ the following abstract base classes:
    abc.SIIntegrator
    abc.DepSystemSolver
 
+R2S Automation
+--------------
+
+.. autosummary::
+   :toctree: generated
+   :nosignatures:
+   :template: myclass.rst
+
+   R2SManager
+
 D1S Functions
 -------------
 
diff --git a/docs/source/usersguide/decay_sources.rst b/docs/source/usersguide/decay_sources.rst
index d5a078135..398680e74 100644
--- a/docs/source/usersguide/decay_sources.rst
+++ b/docs/source/usersguide/decay_sources.rst
@@ -6,42 +6,189 @@ Decay Sources
 
 Through the :ref:`depletion <usersguide_depletion>` capabilities in OpenMC, it
 is possible to simulate radiation emitted from the decay of activated materials.
-For fusion energy systems, this is commonly done using what is known as the
-`rigorous 2-step <https://doi.org/10.1016/S0920-3796(02)00144-8>`_ (R2S) method.
-In this method, a neutron transport calculation is used to determine the neutron
-flux and reaction rates over a cell- or mesh-based spatial discretization of the
-model. Then, the neutron flux in each discrete region is used to predict the
-activated material composition using a depletion solver. Finally, a photon
-transport calculation with a source based on the activity and energy spectrum of
-the activated materials is used to determine a desired physical response (e.g.,
-a dose rate) at one or more locations of interest.
+For fusion energy systems, this is commonly done using either the `rigorous
+2-step <https://doi.org/10.1016/S0920-3796(02)00144-8>`_ (R2S) method or the
+`direct 1-step <https://doi.org/10.1016/S0920-3796(01)00188-0>`_ (D1S) method.
+In the R2S method, a neutron transport calculation is used to determine the
+neutron flux and reaction rates over a cell- or mesh-based spatial
+discretization of the model. Then, the neutron flux in each discrete region is
+used to predict the activated material composition using a depletion solver.
+Finally, a photon transport calculation with a source based on the activity and
+energy spectrum of the activated materials is used to determine a desired
+physical response (e.g., a dose rate) at one or more locations of interest.
+OpenMC includes automation for both the R2S and D1S methods as described in the
+following sections.
 
-Once a depletion simulation has been completed in OpenMC, the intrinsic decay
-source can be determined as follows. First the activated material composition
-can be determined using the :class:`openmc.deplete.Results` object. Indexing an
-instance of this class with the timestep index returns a
-:class:`~openmc.deplete.StepResult` object, which itself has a
-:meth:`~openmc.deplete.StepResult.get_material` method. Once the activated
-:class:`~openmc.Material` has been obtained, the
-:meth:`~openmc.Material.get_decay_photon_energy` method will give the energy
-spectrum of the decay photon source. The integral of the spectrum also indicates
-the intensity of the source in units of [Bq]. Altogether, the workflow looks as
-follows::
+Rigorous 2-Step (R2S) Calculations
+==================================
 
+OpenMC includes an :class:`openmc.deplete.R2SManager` class that fully automates
+cell- and mesh-based R2S calculations. Before we describe this class, it is
+useful to understand the basic mechanics of how an R2S calculation works.
+Generally, it involves the following steps:
+
+1. The :meth:`openmc.deplete.get_microxs_and_flux` function is called to run a
+   neutron transport calculation that determines fluxes and microscopic cross
+   sections in each activation region.
+2. The :class:`openmc.deplete.IndependentOperator` and
+   :class:`openmc.deplete.PredictorIntegrator` classes are used to carry out a
+   depletion (activation) calculation in order to determine predicted material
+   compositions based on a set of timesteps and source rates.
+3. The activated material composition is determined using the
+   :class:`openmc.deplete.Results` class. Indexing an instance of this class
+   with the timestep index returns a :class:`~openmc.deplete.StepResult` object,
+   which itself has a :meth:`~openmc.deplete.StepResult.get_material` method
+   returning an activated material.
+4. The :meth:`openmc.Material.get_decay_photon_energy` method is used to obtain
+   the energy spectrum of the decay photon source. The integral of the spectrum
+   also indicates the intensity of the source in units of [Bq].
+5. A new photon source is defined using one of OpenMC's source classes with the
+   energy distribution set equal to the object returned by the
+   :meth:`openmc.Material.get_decay_photon_energy` method. The source is then
+   assigned to a photon :class:`~openmc.Model`.
+6. A photon transport calculation is run with ``model.run()``.
+
+Altogether, the workflow looks as follows::
+
+    # Run neutron transport calculation
+    fluxes, micros = openmc.deplete.get_microxs_and_flux(model, domains)
+
+    # Run activation calculation
+    op = openmc.deplete.IndependentOperator(mats, fluxes, micros)
+    timesteps = ...
+    source_rates = ...
+    integrator = openmc.deplete.Integrator(op, timesteps, source_rates)
+    integrator.integrate()
+
+    # Get decay photon source at last timestep
     results = openmc.deplete.Results("depletion_results.h5")
-
-    # Get results at last timestep
     step = results[-1]
-
-    # Get activated material composition for ID=1
     activated_mat = step.get_material('1')
-
-    # Determine photon source
     photon_energy = activated_mat.get_decay_photon_energy()
+    photon_source = openmc.IndependentSource(
+        space=...,
+        energy=photon_energy,
+        particle='photon',
+        strength=photon_energy.integral()
+    )
 
-By default, the :meth:`~openmc.Material.get_decay_photon_energy` method will
-eliminate spectral lines with very low intensity, but this behavior can be
-configured with the ``clip_tolerance`` argument.
+    # Run photon transport calculation
+    model.settings.source = photon_source
+    model.run()
+
+Note that by default, the :meth:`~openmc.Material.get_decay_photon_energy`
+method will eliminate spectral lines with very low intensity, but this behavior
+can be configured with the ``clip_tolerance`` argument.
+
+Cell-based R2S
+--------------
+
+In practice, users do not need to manually go through each of the steps in an R2S
+calculation described above. The :class:`~openmc.deplete.R2SManager` fully
+automates the execution of neutron transport, depletion, decay source
+generation, and photon transport. For a cell-based R2S calculation, once you
+have a :class:`~openmc.Model` that has been defined, simply create an instance
+of :class:`~openmc.deplete.R2SManager` by passing the model and a list of cells
+to activate::
+
+    r2s = openmc.deplete.R2SManager(model, [cell1, cell2, cell3])
+
+Note that the ``volume`` attribute must be set for any cell that is to be
+activated. The :class:`~openmc.deplete.R2SManager` class allows you to
+optionally specify a separate photon model; if not given as an argument, it will
+create a shallow copy of the original neutron model (available as the
+``neutron_model`` attribute) and store it in the ``photon_model`` attribute. We
+can use this to define tallies specific to the photon model::
+
+    dose_tally = openmc.Tally()
+    ...
+    r2s.photon_model.tallies = [dose_tally]
+
+Next, define the timesteps and source rates for the activation calculation::
+
+    timesteps = [(3.0, 'd'), (5.0, 'h')]
+    source_rates = [1e12, 0.0]
+
+In this case, the model is irradiated for 3 days with a source rate of
+:math:`10^{12}` neutron/sec and then the source is turned off and the activated
+materials are allowed to decay for 5 hours. These parameters should be passed to
+the :meth:`~openmc.deplete.R2SManager.run` method to execute the full R2S
+calculation. Before we can do that though, for a cell-based calculation, the one
+other piece of information that is needed is bounding boxes of the activated
+cells::
+
+    bounding_boxes = {
+        cell1.id: cell1.bounding_box,
+        cell2.id: cell2.bounding_box,
+        cell3.id: cell3.bounding_box
+    }
+
+Note that calling the ``bounding_box`` attribute may not work for all
+constructive solid geometry regions (for example, a cell that uses a
+non-axis-aligned plane). In these cases, the bounding box will need to be
+specified manually. Once you have a set of bounding boxes, the R2S calculation
+can be run::
+
+    r2s.run(timesteps, source_rates, bounding_boxes=bounding_boxes)
+
+If not specified otherwise, a photon transport calculation is run at each time
+in the depletion schedule. That means in the case above, we would see three
+photon transport calculations. To specify specific times at which photon
+transport calculations should be run, pass the ``photon_time_indices`` argument.
+For example, if we wanted to run a photon transport calculation only on the last
+time (after the 5 hour decay), we would run::
+
+    r2s.run(timesteps, source_rates, bounding_boxes=bounding_boxes,
+            photon_time_indices=[2])
+
+After an R2S calculation has been run, the :class:`~openmc.deplete.R2SManager`
+instance will have a ``results`` dictionary that allows you to directly access
+results from each of the steps. It will also write out all the output files into
+a directory that is named "r2s_<timestamp>/". The ``output_dir`` argument to the
+:meth:`~openmc.deplete.R2SManager.run` method enables you to override the
+default output directory name if desired.
+
+The :meth:`~openmc.deplete.R2SManager.run` method actually runs three
+lower-level methods under the hood::
+
+    r2s.step1_neutron_transport(...)
+    r2s.step2_activation(...)
+    r2s.step3_photon_transport(...)
+
+For users looking for more control over the calculation, these lower-level
+methods can be used in lieu of the :meth:`openmc.deplete.R2SManager.run` method.
+
+Mesh-based R2S
+--------------
+
+Executing a mesh-based R2S calculation looks nearly identical to the cell-based
+R2S workflow described above. The only difference is that instead of passing a
+list of cells to the ``domains`` argument of
+:class:`~openmc.deplete.R2SManager`, you need to define a mesh object and pass
+that instead. This might look like the following::
+
+    # Define a regular Cartesian mesh
+    mesh = openmc.RegularMesh()
+    mesh.lower_left = (-50., -50., 0.)
+    mesh.upper_right = (50., 50., 75.)
+    mesh.dimension = (10, 10, 5)
+
+    r2s = openmc.deplete.R2SManager(model, mesh)
+
+Executing the R2S calculation is then performed by adding photon tallies and
+calling the :meth:`~openmc.deplete.R2SManager.run` method with the appropriate
+timesteps and source rates. Note that in this case we do not need to define cell
+volumes or bounding boxes as is required for a cell-based R2S calculation.
+Instead, during the neutron transport step, OpenMC will run a raytracing
+calculation to determine material volume fractions within each mesh element
+using the :meth:`openmc.MeshBase.material_volumes` method. Arguments to this
+method can be customized via the ``mat_vol_kwargs`` argument to the
+:meth:`~openmc.deplete.R2SManager.run` method. Most often, this would involve
+customizing the number of rays traced to obtain better estimates of volumes. As
+an example, if we wanted to run the raytracing calculation with 10 million rays,
+we would run::
+
+    r2s.run(timesteps, source_rates, mat_vol_kwargs={'n_samples': 10_000_000})
 
 Direct 1-Step (D1S) Calculations
 ================================
diff --git a/openmc/deplete/__init__.py b/openmc/deplete/__init__.py
index 8a9509e90..052e22459 100644
--- a/openmc/deplete/__init__.py
+++ b/openmc/deplete/__init__.py
@@ -17,6 +17,7 @@ from .stepresult import *
 from .results import *
 from .integrators import *
 from .transfer_rates import *
+from .r2s import *
 from . import abc
 from . import cram
 from . import helpers
diff --git a/openmc/deplete/microxs.py b/openmc/deplete/microxs.py
index 4ce199f0c..e351c923d 100644
--- a/openmc/deplete/microxs.py
+++ b/openmc/deplete/microxs.py
@@ -8,8 +8,9 @@ from __future__ import annotations
 from collections.abc import Sequence
 import shutil
 from tempfile import TemporaryDirectory
-from typing import Union, TypeAlias
+from typing import Union, TypeAlias, Self
 
+import h5py
 import pandas as pd
 import numpy as np
 
@@ -20,6 +21,7 @@ from openmc.data import REACTION_MT
 import openmc
 from .chain import Chain, REACTIONS, _get_chain
 from .coupled_operator import _find_cross_sections, _get_nuclides_with_data
+from ..utility_funcs import h5py_file_or_group
 import openmc.lib
 from openmc.mpi import comm
 
@@ -47,6 +49,7 @@ def get_microxs_and_flux(
     reaction_rate_mode: str = 'direct',
     chain_file: PathLike | Chain | None = None,
     path_statepoint: PathLike | None = None,
+    path_input: PathLike | None = None,
     run_kwargs=None
 ) -> tuple[list[np.ndarray], list[MicroXS]]:
     """Generate microscopic cross sections and fluxes for multiple domains.
@@ -59,7 +62,7 @@ def get_microxs_and_flux(
     .. versionadded:: 0.14.0
 
     .. versionchanged:: 0.15.3
-        Added `reaction_rate_mode` and `path_statepoint` arguments.
+        Added `reaction_rate_mode`, `path_statepoint`, `path_input` arguments.
 
     Parameters
     ----------
@@ -90,6 +93,10 @@ def get_microxs_and_flux(
         Path to write the statepoint file from the neutron transport solve to.
         By default, The statepoint file is written to a temporary directory and
         is not kept.
+    path_input : path-like, optional
+        Path to write the model XML file from the neutron transport solve to.
+        By default, the model XML file is written to a temporary directory and
+        not kept.
     run_kwargs : dict, optional
         Keyword arguments passed to :meth:`openmc.Model.run`
 
@@ -108,7 +115,7 @@ def get_microxs_and_flux(
     check_value('reaction_rate_mode', reaction_rate_mode, {'direct', 'flux'})
 
     # Save any original tallies on the model
-    original_tallies = model.tallies
+    original_tallies = list(model.tallies)
 
     # Determine what reactions and nuclides are available in chain
     chain = _get_chain(chain_file)
@@ -178,6 +185,10 @@ def get_microxs_and_flux(
                 shutil.move(statepoint_path, path_statepoint)
                 statepoint_path = path_statepoint
 
+            # Export the model to path_input if provided
+            if path_input is not None:
+                model.export_to_model_xml(path_input)
+
             with StatePoint(statepoint_path) as sp:
                 if reaction_rate_mode == 'direct':
                     rr_tally = sp.tallies[rr_tally.id]
@@ -383,8 +394,7 @@ class MicroXS:
         MicroXS
 
         """
-        if 'float_precision' not in kwargs:
-            kwargs['float_precision'] = 'round_trip'
+        kwargs.setdefault('float_precision', 'round_trip')
 
         df = pd.read_csv(csv_file, **kwargs)
         df.set_index(['nuclides', 'reactions', 'groups'], inplace=True)
@@ -419,3 +429,96 @@ class MicroXS:
         )
         df = pd.DataFrame({'xs': self.data.flatten()}, index=multi_index)
         df.to_csv(*args, **kwargs)
+
+    def to_hdf5(self, group_or_filename: h5py.Group | PathLike, **kwargs):
+        """Export microscopic cross section data to HDF5 format
+
+        Parameters
+        ----------
+        group_or_filename : h5py.Group or path-like
+            HDF5 group or filename to write to
+        kwargs : dict, optional
+            Keyword arguments to pass to :meth:`h5py.Group.create_dataset`.
+            Defaults to {'compression': 'lzf'}.
+
+        """
+        kwargs.setdefault('compression', 'lzf')
+
+        with h5py_file_or_group(group_or_filename, 'w') as group:
+            # Store cross section data as 3D dataset
+            group.create_dataset('data', data=self.data, **kwargs)
+
+            # Store metadata as datasets using string encoding
+            group.create_dataset('nuclides', data=np.array(self.nuclides, dtype='S'))
+            group.create_dataset('reactions', data=np.array(self.reactions, dtype='S'))
+
+    @classmethod
+    def from_hdf5(cls, group_or_filename: h5py.Group | PathLike) -> Self:
+        """Load data from an HDF5 file
+
+        Parameters
+        ----------
+        group_or_filename : h5py.Group or str or PathLike
+            HDF5 group or path to HDF5 file. If given as an h5py.Group, the
+            data is read from that group. If given as a string, it is assumed
+            to be the filename for the HDF5 file.
+
+        Returns
+        -------
+        MicroXS
+        """
+
+        with h5py_file_or_group(group_or_filename, 'r') as group:
+            # Read data from HDF5 group
+            data = group['data'][:]
+            nuclides = [nuc.decode('utf-8') for nuc in group['nuclides'][:]]
+            reactions = [rxn.decode('utf-8') for rxn in group['reactions'][:]]
+
+        return cls(data, nuclides, reactions)
+
+
+def write_microxs_hdf5(
+    micros: Sequence[MicroXS],
+    filename: PathLike,
+    names: Sequence[str] | None = None,
+    **kwargs
+):
+    """Write multiple MicroXS objects to an HDF5 file
+
+    Parameters
+    ----------
+    micros : list of MicroXS
+        List of MicroXS objects
+    filename : PathLike
+        Output HDF5 filename
+    names : list of str, optional
+        Names for each MicroXS object. If None, uses 'domain_0', 'domain_1',
+        etc.
+    **kwargs
+        Additional keyword arguments passed to :meth:`h5py.Group.create_dataset`
+    """
+    if names is None:
+        names = [f'domain_{i}' for i in range(len(micros))]
+
+    # Open file once and write all domains using group interface
+    with h5py.File(filename, 'w') as f:
+        for microxs, name in zip(micros, names):
+            group = f.create_group(name)
+            microxs.to_hdf5(group, **kwargs)
+
+
+def read_microxs_hdf5(filename: PathLike) -> dict[str, MicroXS]:
+    """Read multiple MicroXS objects from an HDF5 file
+
+    Parameters
+    ----------
+    filename : path-like
+        HDF5 filename
+
+    Returns
+    -------
+    dict
+        Dictionary mapping domain names to MicroXS objects
+    """
+    with h5py.File(filename, 'r') as f:
+        return {name: MicroXS.from_hdf5(group) for name, group in f.items()}
diff --git a/openmc/deplete/r2s.py b/openmc/deplete/r2s.py
new file mode 100644
index 000000000..7b5deddc2
--- /dev/null
+++ b/openmc/deplete/r2s.py
@@ -0,0 +1,680 @@
+from __future__ import annotations
+from collections.abc import Sequence
+import copy
+from datetime import datetime
+import json
+from pathlib import Path
+
+import numpy as np
+import openmc
+from . import IndependentOperator, PredictorIntegrator
+from .microxs import get_microxs_and_flux, write_microxs_hdf5, read_microxs_hdf5
+from .results import Results
+from ..checkvalue import PathLike
+
+
+def get_activation_materials(
+    model: openmc.Model, mmv: openmc.MeshMaterialVolumes
+) -> openmc.Materials:
+    """Get a list of activation materials for each mesh element/material.
+
+    When performing a mesh-based R2S calculation, a unique material is needed
+    for each activation region, which is a combination of a mesh element and a
+    material within that mesh element. This function generates a list of such
+    materials, each with a unique name and volume corresponding to the mesh
+    element and material.
+
+    Parameters
+    ----------
+    model : openmc.Model
+        The full model containing the geometry and materials.
+    mmv : openmc.MeshMaterialVolumes
+        The mesh material volumes object containing the materials and their
+        volumes for each mesh element.
+
+    Returns
+    -------
+    openmc.Materials
+        A list of materials, each corresponding to a unique mesh element and
+        material combination.
+
+    """
+    # Get the material ID, volume, and element index for each element-material
+    # combination
+    mat_ids = mmv._materials[mmv._materials > -1]
+    volumes = mmv._volumes[mmv._materials > -1]
+    elems, _ = np.where(mmv._materials > -1)
+
+    # Get all materials in the model
+    material_dict = model._get_all_materials()
+
+    # Create a new activation material for each element-material combination
+    materials = openmc.Materials()
+    for elem, mat_id, vol in zip(elems, mat_ids, volumes):
+        mat = material_dict[mat_id]
+        new_mat = mat.clone()
+        new_mat.depletable = True
+        new_mat.name = f'Element {elem}, Material {mat_id}'
+        new_mat.volume = vol
+        materials.append(new_mat)
+
+    return materials
+
+
+class R2SManager:
+    """Manager for Rigorous 2-Step (R2S) method calculations.
+
+    This class is responsible for managing the materials and sources needed for
+    mesh-based or cell-based R2S calculations. It provides methods to get
+    activation materials and decay photon sources based on the mesh/cells and
+    materials in the OpenMC model.
+
+    This class supports the use of a different models for the neutron and photon
+    transport calculation. However, for cell-based calculations, it assumes that
+    the only changes in the model are material assignments. For mesh-based
+    calculations, it checks material assignments in the photon model and any
+    element--material combinations that don't appear in the photon model are
+    skipped.
+
+    Parameters
+    ----------
+    neutron_model : openmc.Model
+        The OpenMC model to use for neutron transport.
+    domains : openmc.MeshBase or Sequence[openmc.Cell]
+        The mesh or a sequence of cells that represent the spatial units over
+        which the R2S calculation will be performed.
+    photon_model : openmc.Model, optional
+        The OpenMC model to use for photon transport calculations. If None, a
+        shallow copy of the neutron_model will be created and used.
+
+    Attributes
+    ----------
+    domains : openmc.MeshBase or Sequence[openmc.Cell]
+        The mesh or a sequence of cells that represent the spatial units over
+        which the R2S calculation will be performed.
+    neutron_model : openmc.Model
+        The OpenMC model used for neutron transport.
+    photon_model : openmc.Model
+        The OpenMC model used for photon transport calculations.
+    method : {'mesh-based', 'cell-based'}
+        Indicates whether the R2S calculation uses mesh elements ('mesh-based')
+        as the spatial discetization or a list of a cells ('cell-based').
+    results : dict
+        A dictionary that stores results from the R2S calculation.
+
+    """
+    def __init__(
+        self,
+        neutron_model: openmc.Model,
+        domains: openmc.MeshBase | Sequence[openmc.Cell],
+        photon_model: openmc.Model | None = None,
+    ):
+        self.neutron_model = neutron_model
+        if photon_model is None:
+            # Create a shallow copy of the neutron model for photon transport
+            self.photon_model = openmc.Model(
+                geometry=copy.copy(neutron_model.geometry),
+                materials=copy.copy(neutron_model.materials),
+                settings=copy.copy(neutron_model.settings),
+                tallies=copy.copy(neutron_model.tallies),
+                plots=copy.copy(neutron_model.plots),
+            )
+        else:
+            self.photon_model = photon_model
+        if isinstance(domains, openmc.MeshBase):
+            self.method = 'mesh-based'
+        else:
+            self.method = 'cell-based'
+        self.domains = domains
+        self.results = {}
+
+    def run(
+        self,
+        timesteps: Sequence[float] | Sequence[tuple[float, str]],
+        source_rates: float | Sequence[float],
+        timestep_units: str = 's',
+        photon_time_indices: Sequence[int] | None = None,
+        output_dir: PathLike | None = None,
+        bounding_boxes: dict[int, openmc.BoundingBox] | None = None,
+        chain_file: PathLike | None = None,
+        micro_kwargs: dict | None = None,
+        mat_vol_kwargs: dict | None = None,
+        run_kwargs: dict | None = None,
+        operator_kwargs: dict | None = None,
+    ):
+        """Run the R2S calculation.
+
+        Parameters
+        ----------
+        timesteps : Sequence[float] or Sequence[tuple[float, str]]
+            Sequence of timesteps. Note that values are not cumulative. The
+            units are specified by the `timestep_units` argument when
+            `timesteps` is an iterable of float. Alternatively, units can be
+            specified for each step by passing an iterable of (value, unit)
+            tuples.
+        source_rates : float or Sequence[float]
+            Source rate in [neutron/sec] for each interval in `timesteps`.
+        timestep_units : {'s', 'min', 'h', 'd', 'a'}, optional
+            Units for values specified in the `timesteps` argument when passing
+            float values. 's' means seconds, 'min' means minutes, 'h' means
+            hours, 'd' means days, and 'a' means years (Julian).
+        photon_time_indices : Sequence[int], optional
+            Sequence of time indices at which photon transport should be run;
+            represented as indices into the array of times formed by the
+            timesteps. For example, if two timesteps are specified, the array of
+            times would contain three entries, and [2] would indicate computing
+            photon results at the last time. A value of None indicates to run
+            photon transport for each time.
+        output_dir : PathLike, optional
+            Path to directory where R2S calculation outputs will be saved. If
+            not provided, a timestamped directory 'r2s_YYYY-MM-DDTHH-MM-SS' is
+            created. Subdirectories will be created for the neutron transport,
+            activation, and photon transport steps.
+        bounding_boxes : dict[int, openmc.BoundingBox], optional
+            Dictionary mapping cell IDs to bounding boxes used for spatial
+            source sampling in cell-based R2S calculations. Required if method
+            is 'cell-based'.
+        chain_file : PathLike, optional
+            Path to the depletion chain XML file to use during activation. If
+            not provided, the default configured chain file will be used.
+        micro_kwargs : dict, optional
+            Additional keyword arguments passed to
+            :func:`openmc.deplete.get_microxs_and_flux` during the neutron
+            transport step.
+        mat_vol_kwargs : dict, optional
+            Additional keyword arguments passed to
+            :meth:`openmc.MeshBase.material_volumes`.
+        run_kwargs : dict, optional
+            Additional keyword arguments passed to :meth:`openmc.Model.run`
+            during the neutron and photon transport step. By default, output is
+            disabled.
+        operator_kwargs : dict, optional
+            Additional keyword arguments passed to
+            :class:`openmc.deplete.IndependentOperator`.
+
+        Returns
+        -------
+        Path
+            Path to the output directory containing all calculation results
+        """
+
+        if output_dir is None:
+            stamp = datetime.now().strftime('%Y-%m-%dT%H-%M-%S')
+            output_dir = Path(f'r2s_{stamp}')
+
+        # Set run_kwargs for the neutron transport step
+        if micro_kwargs is None:
+            micro_kwargs = {}
+        if run_kwargs is None:
+            run_kwargs = {}
+        if operator_kwargs is None:
+            operator_kwargs = {}
+        run_kwargs.setdefault('output', False)
+        micro_kwargs.setdefault('run_kwargs', run_kwargs)
+        # If a chain file is provided, prefer it for steps 1 and 2
+        if chain_file is not None:
+            micro_kwargs.setdefault('chain_file', chain_file)
+            operator_kwargs.setdefault('chain_file', chain_file)
+
+        self.step1_neutron_transport(
+            output_dir / 'neutron_transport', mat_vol_kwargs, micro_kwargs
+        )
+        self.step2_activation(
+            timesteps, source_rates, timestep_units, output_dir / 'activation',
+            operator_kwargs=operator_kwargs
+        )
+        self.step3_photon_transport(
+            photon_time_indices, bounding_boxes, output_dir / 'photon_transport',
+            mat_vol_kwargs=mat_vol_kwargs, run_kwargs=run_kwargs
+        )
+
+        return output_dir
+
+    def step1_neutron_transport(
+        self,
+        output_dir: PathLike = "neutron_transport",
+        mat_vol_kwargs: dict | None = None,
+        micro_kwargs: dict | None = None
+    ):
+        """Run the neutron transport step.
+
+        This step computes the material volume fractions on the mesh, creates a
+        mesh-material filter, and retrieves the fluxes and microscopic cross
+        sections for each mesh/material combination. This step will populate the
+        'fluxes' and 'micros' keys in the results dictionary. For a mesh-based
+        calculation, it will also populate the 'mesh_material_volumes' key.
+
+        Parameters
+        ----------
+        output_dir : PathLike, optional
+            The directory where the results will be saved.
+        mat_vol_kwargs : dict, optional
+            Additional keyword arguments based to
+            :meth:`openmc.MeshBase.material_volumes`.
+        micro_kwargs : dict, optional
+            Additional keyword arguments passed to
+            :func:`openmc.deplete.get_microxs_and_flux`.
+
+        """
+
+        output_dir = Path(output_dir)
+        output_dir.mkdir(parents=True, exist_ok=True)
+
+        if self.method == 'mesh-based':
+            # Compute material volume fractions on the mesh
+            if mat_vol_kwargs is None:
+                mat_vol_kwargs = {}
+            self.results['mesh_material_volumes'] = mmv = \
+                self.domains.material_volumes(self.neutron_model, **mat_vol_kwargs)
+
+            # Save results to file
+            mmv.save(output_dir / 'mesh_material_volumes.npz')
+
+            # Create mesh-material filter based on what combos were found
+            domains = openmc.MeshMaterialFilter.from_volumes(self.domains, mmv)
+        else:
+            domains: Sequence[openmc.Cell] = self.domains
+
+            # Check to make sure that each cell is filled with a material and
+            # that the volume has been set
+
+            # TODO: If volumes are not set, run volume calculation for cells
+            for cell in domains:
+                if cell.fill is None:
+                    raise ValueError(
+                        f"Cell {cell.id} is not filled with a materials. "
+                        "Please set the fill material for each cell before "
+                        "running the R2S calculation."
+                    )
+                if cell.volume is None:
+                    raise ValueError(
+                        f"Cell {cell.id} does not have a volume set. "
+                        "Please set the volume for each cell before running "
+                        "the R2S calculation."
+                    )
+
+        # Set default keyword arguments for microxs and flux calculation
+        if micro_kwargs is None:
+            micro_kwargs = {}
+        micro_kwargs.setdefault('path_statepoint', output_dir / 'statepoint.h5')
+        micro_kwargs.setdefault('path_input', output_dir / 'model.xml')
+
+        # Run neutron transport and get fluxes and micros
+        self.results['fluxes'], self.results['micros'] = get_microxs_and_flux(
+            self.neutron_model, domains, **micro_kwargs)
+
+        # Save flux and micros to file
+        np.save(output_dir / 'fluxes.npy', self.results['fluxes'])
+        write_microxs_hdf5(self.results['micros'], output_dir / 'micros.h5')
+
+    def step2_activation(
+        self,
+        timesteps: Sequence[float] | Sequence[tuple[float, str]],
+        source_rates: float | Sequence[float],
+        timestep_units: str = 's',
+        output_dir: PathLike = 'activation',
+        operator_kwargs: dict | None = None,
+    ):
+        """Run the activation step.
+
+        This step creates a unique copy of each activation material based on the
+        mesh elements or cells, then solves the depletion equations for each
+        material using the fluxes and microscopic cross sections obtained in the
+        neutron transport step. This step will populate the 'depletion_results'
+        and 'activation_materials' keys in the results dictionary.
+
+        Parameters
+        ----------
+        timesteps : Sequence[float] or Sequence[tuple[float, str]]
+            Sequence of timesteps. Note that values are not cumulative. The
+            units are specified by the `timestep_units` argument when
+            `timesteps` is an iterable of float. Alternatively, units can be
+            specified for each step by passing an iterable of (value, unit)
+            tuples.
+        source_rates : float | Sequence[float]
+            Source rate in [neutron/sec] for each interval in `timesteps`.
+        timestep_units : {'s', 'min', 'h', 'd', 'a'}, optional
+            Units for values specified in the `timesteps` argument when passing
+            float values. 's' means seconds, 'min' means minutes, 'h' means
+            hours, 'd' means days, and 'a' means years (Julian).
+        output_dir : PathLike, optional
+            Path to directory where activation calculation outputs will be
+            saved.
+        operator_kwargs : dict, optional
+            Additional keyword arguments passed to
+            :class:`openmc.deplete.IndependentOperator`.
+        """
+
+        if self.method == 'mesh-based':
+            # Get unique material for each (mesh, material) combination
+            mmv = self.results['mesh_material_volumes']
+            self.results['activation_materials'] = get_activation_materials(self.neutron_model, mmv)
+        else:
+            # Create unique material for each cell
+            activation_mats = openmc.Materials()
+            for cell in self.domains:
+                mat = cell.fill.clone()
+                mat.name = f'Cell {cell.id}'
+                mat.depletable = True
+                mat.volume = cell.volume
+                activation_mats.append(mat)
+            self.results['activation_materials'] = activation_mats
+
+        # Save activation materials to file
+        output_dir = Path(output_dir)
+        output_dir.mkdir(parents=True, exist_ok=True)
+        self.results['activation_materials'].export_to_xml(
+            output_dir / 'materials.xml')
+
+        # Create depletion operator for the activation materials
+        if operator_kwargs is None:
+            operator_kwargs = {}
+        operator_kwargs.setdefault('normalization_mode', 'source-rate')
+        op = IndependentOperator(
+            self.results['activation_materials'],
+            self.results['fluxes'],
+            self.results['micros'],
+            **operator_kwargs
+        )
+
+        # Create time integrator and solve depletion equations
+        integrator = PredictorIntegrator(
+            op, timesteps, source_rates=source_rates, timestep_units=timestep_units
+        )
+        output_path = output_dir / 'depletion_results.h5'
+        integrator.integrate(final_step=False, path=output_path)
+
+        # Get depletion results
+        self.results['depletion_results'] = Results(output_path)
+
+    def step3_photon_transport(
+        self,
+        time_indices: Sequence[int] | None = None,
+        bounding_boxes: dict[int, openmc.BoundingBox] | None = None,
+        output_dir: PathLike = 'photon_transport',
+        mat_vol_kwargs: dict | None = None,
+        run_kwargs: dict | None = None,
+    ):
+        """Run the photon transport step.
+
+        This step performs photon transport calculations using decay photon
+        sources created from the activated materials. For each specified time,
+        it creates appropriate photon sources and runs a transport calculation.
+        In mesh-based mode, the sources are created using the mesh material
+        volumes, while in cell-based mode, they are created using bounding boxes
+        for each cell.  This step will populate the 'photon_tallies' key in the
+        results dictionary.
+
+        Parameters
+        ----------
+        time_indices : Sequence[int], optional
+            Sequence of time indices at which photon transport should be run;
+            represented as indices into the array of times formed by the
+            timesteps. For example, if two timesteps are specified, the array of
+            times would contain three entries, and [2] would indicate computing
+            photon results at the last time. A value of None indicates to run
+            photon transport for each time.
+        bounding_boxes : dict[int, openmc.BoundingBox], optional
+            Dictionary mapping cell IDs to bounding boxes used for spatial
+            source sampling in cell-based R2S calculations. Required if method
+            is 'cell-based'.
+        output_dir : PathLike, optional
+            Path to directory where photon transport outputs will be saved.
+        mat_vol_kwargs : dict, optional
+            Additional keyword arguments passed to
+            :meth:`openmc.MeshBase.material_volumes`.
+        run_kwargs : dict, optional
+            Additional keyword arguments passed to :meth:`openmc.Model.run`
+            during the photon transport step. By default, output is disabled.
+        """
+
+        # TODO: Automatically determine bounding box for each cell
+        if bounding_boxes is None and self.method == 'cell-based':
+            raise ValueError("bounding_boxes must be provided for cell-based "
+                             "R2S calculations.")
+
+        # Set default run arguments if not provided
+        if run_kwargs is None:
+            run_kwargs = {}
+        run_kwargs.setdefault('output', False)
+
+        # Write out JSON file with tally IDs that can be used for loading
+        # results
+        output_dir = Path(output_dir)
+        output_dir.mkdir(parents=True, exist_ok=True)
+
+        # Get default time indices if not provided
+        if time_indices is None:
+            n_steps = len(self.results['depletion_results'])
+            time_indices = list(range(n_steps))
+
+        # Check whether the photon model is different
+        neutron_univ = self.neutron_model.geometry.root_universe
+        photon_univ = self.photon_model.geometry.root_universe
+        different_photon_model = (neutron_univ != photon_univ)
+
+        # For mesh-based calculations, compute material volume fractions for the
+        # photon model if it is different from the neutron model to account for
+        # potential material changes
+        if self.method == 'mesh-based' and different_photon_model:
+            self.results['mesh_material_volumes_photon'] = photon_mmv = \
+                self.domains.material_volumes(self.photon_model, **mat_vol_kwargs)
+
+            # Save photon MMV results to file
+            photon_mmv.save(output_dir / 'mesh_material_volumes.npz')
+
+        tally_ids = [tally.id for tally in self.photon_model.tallies]
+        with open(output_dir / 'tally_ids.json', 'w') as f:
+            json.dump(tally_ids, f)
+
+        self.results['photon_tallies'] = {}
+
+        # Get dictionary of cells in the photon model
+        if different_photon_model:
+            photon_cells = self.photon_model.geometry.get_all_cells()
+
+        for time_index in time_indices:
+            # Create decay photon source
+            if self.method == 'mesh-based':
+                self.photon_model.settings.source = \
+                    self.get_decay_photon_source_mesh(time_index)
+            else:
+                sources = []
+                results = self.results['depletion_results']
+                for cell, original_mat in zip(self.domains, self.results['activation_materials']):
+                    # Skip if the cell is not in the photon model or the
+                    # material has changed
+                    if different_photon_model:
+                        if cell.id not in photon_cells or \
+                            cell.fill.id != photon_cells[cell.id].fill.id:
+                            continue
+
+                    # Get bounding box for the cell
+                    bounding_box = bounding_boxes[cell.id]
+
+                    # Get activated material composition
+                    activated_mat = results[time_index].get_material(str(original_mat.id))
+
+                    # Create decay photon source source
+                    space = openmc.stats.Box(*bounding_box)
+                    energy = activated_mat.get_decay_photon_energy()
+                    strength = energy.integral() if energy is not None else 0.0
+                    source = openmc.IndependentSource(
+                        space=space,
+                        energy=energy,
+                        particle='photon',
+                        strength=strength,
+                        constraints={'domains': [cell]}
+                    )
+                    sources.append(source)
+                self.photon_model.settings.source = sources
+
+            # Convert time_index (which may be negative) to a normal index
+            if time_index < 0:
+                time_index = len(self.results['depletion_results']) + time_index
+
+            # Run photon transport calculation
+            run_kwargs['cwd'] = Path(output_dir) / f'time_{time_index}'
+            statepoint_path = self.photon_model.run(**run_kwargs)
+
+            # Store tally results
+            with openmc.StatePoint(statepoint_path) as sp:
+                self.results['photon_tallies'][time_index] = [
+                    sp.tallies[tally.id] for tally in self.photon_model.tallies
+                ]
+
+    def get_decay_photon_source_mesh(
+        self,
+        time_index: int = -1
+    ) -> list[openmc.MeshSource]:
+        """Create decay photon source for a mesh-based calculation.
+
+        This function creates N :class:`MeshSource` objects where N is the
+        maximum number of unique materials that appears in a single mesh
+        element. For each mesh element-material combination, and
+        IndependentSource instance is created with a spatial constraint limited
+        the sampled decay photons to the correct region.
+
+        When the photon transport model is different from the neutron model, the
+        photon MeshMaterialVolumes is used to determine whether an (element,
+        material) combination exists in the photon model.
+
+        Parameters
+        ----------
+        time_index : int, optional
+            Time index for the decay photon source. Default is -1 (last time).
+
+        Returns
+        -------
+        list of openmc.MeshSource
+            A list of MeshSource objects, each containing IndependentSource
+            instances for the decay photons in the corresponding mesh element.
+
+        """
+        mat_dict = self.neutron_model._get_all_materials()
+
+        # Some MeshSource objects will have empty positions; create a "null source"
+        # that is used for this case
+        null_source = openmc.IndependentSource(particle='photon', strength=0.0)
+
+        # List to hold sources for each MeshSource (length = N)
+        source_lists = []
+
+        # Index in the overall list of activated materials
+        index_mat = 0
+
+        # Get various results from previous steps
+        mat_vols = self.results['mesh_material_volumes']
+        materials = self.results['activation_materials']
+        results = self.results['depletion_results']
+        photon_mat_vols = self.results.get('mesh_material_volumes_photon')
+
+        # Total number of mesh elements
+        n_elements = mat_vols.num_elements
+
+        for index_elem in range(n_elements):
+            # Determine which materials exist in the photon model for this element
+            if photon_mat_vols is not None:
+                photon_materials = {
+                    mat_id
+                    for mat_id, _ in photon_mat_vols.by_element(index_elem)
+                    if mat_id is not None
+                }
+
+            for j, (mat_id, _) in enumerate(mat_vols.by_element(index_elem)):
+                # Skip void volume
+                if mat_id is None:
+                    continue
+
+                # Skip if this material doesn't exist in photon model
+                if photon_mat_vols is not None and mat_id not in photon_materials:
+                    index_mat += 1
+                    continue
+
+                # Check whether a new MeshSource object is needed
+                if j >= len(source_lists):
+                    source_lists.append([null_source]*n_elements)
+
+                # Get activated material composition
+                original_mat = materials[index_mat]
+                activated_mat = results[time_index].get_material(str(original_mat.id))
+
+                # Create decay photon source source
+                energy = activated_mat.get_decay_photon_energy()
+                if energy is not None:
+                    strength = energy.integral()
+                    source_lists[j][index_elem] = openmc.IndependentSource(
+                        energy=energy,
+                        particle='photon',
+                        strength=strength,
+                        constraints={'domains': [mat_dict[mat_id]]}
+                    )
+
+                # Increment index of activated material
+                index_mat += 1
+
+        # Return list of mesh sources
+        return [openmc.MeshSource(self.domains, sources) for sources in source_lists]
+
+    def load_results(self, path: PathLike):
+        """Load results from a previous R2S calculation.
+
+        Parameters
+        ----------
+        path : PathLike
+            Path to the directory containing the R2S calculation results.
+
+        """
+        path = Path(path)
+
+        # Load neutron transport results
+        neutron_dir = path / 'neutron_transport'
+        if self.method == 'mesh-based':
+            mmv_file = neutron_dir / 'mesh_material_volumes.npz'
+            if mmv_file.exists():
+                self.results['mesh_material_volumes'] = \
+                    openmc.MeshMaterialVolumes.from_npz(mmv_file)
+        fluxes_file = neutron_dir / 'fluxes.npy'
+        if fluxes_file.exists():
+            self.results['fluxes'] = list(np.load(fluxes_file, allow_pickle=True))
+            micros_dict = read_microxs_hdf5(neutron_dir / 'micros.h5')
+            self.results['micros'] = [
+                micros_dict[f'domain_{i}'] for i in range(len(micros_dict))
+            ]
+
+        # Load activation results
+        activation_dir = path / 'activation'
+        activation_results = activation_dir / 'depletion_results.h5'
+        if activation_results.exists():
+            self.results['depletion_results'] = Results(activation_results)
+        activation_mats_file = activation_dir / 'materials.xml'
+        if activation_mats_file.exists():
+            self.results['activation_materials'] = \
+                openmc.Materials.from_xml(activation_mats_file)
+
+        # Load photon transport results
+        photon_dir = path / 'photon_transport'
+
+        # Load photon mesh material volumes if they exist (for mesh-based calculations)
+        if self.method == 'mesh-based':
+            photon_mmv_file = photon_dir / 'mesh_material_volumes.npz'
+            if photon_mmv_file.exists():
+                self.results['mesh_material_volumes_photon'] = \
+                    openmc.MeshMaterialVolumes.from_npz(photon_mmv_file)
+
+        # Load tally IDs from JSON file
+        tally_ids_path = photon_dir / 'tally_ids.json'
+        if tally_ids_path.exists():
+            with tally_ids_path.open('r') as f:
+                tally_ids = json.load(f)
+            self.results['photon_tallies'] = {}
+
+            # For each photon transport calc, load the statepoint and get the
+            # tally results based on tally_ids
+            for time_dir in photon_dir.glob('time_*'):
+                time_index = int(time_dir.name.split('_')[1])
+                for sp_path in time_dir.glob('statepoint.*.h5'):
+                    with openmc.StatePoint(sp_path) as sp:
+                        self.results['photon_tallies'][time_index] = [
+                            sp.tallies[tally_id] for tally_id in tally_ids
+                        ]
diff --git a/openmc/mesh.py b/openmc/mesh.py
index 9601207e9..3d93d87a1 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -325,20 +325,10 @@ class MeshBase(IDManagerMixin, ABC):
             vols = material_volumes
         mat_volume_by_element = [vols.by_element(i) for i in range(vols.num_elements)]
 
+        # Get dictionary of all materials
+        materials = model._get_all_materials()
+
         # Create homogenized material for each element
-        materials = model.geometry.get_all_materials()
-
-        # Account for materials in DAGMC universes
-        # TODO: This should really get incorporated in lower-level calls to
-        # get_all_materials, but right now it requires information from the
-        # Model object
-        for cell in model.geometry.get_all_cells().values():
-            if isinstance(cell.fill, openmc.DAGMCUniverse):
-                names = cell.fill.material_names
-                materials.update({
-                    mat.id: mat for mat in model.materials if mat.name in names
-                })
-
         homogenized_materials = []
         for mat_volume_list in mat_volume_by_element:
             material_ids, volumes = [list(x) for x in zip(*mat_volume_list)]
@@ -410,7 +400,7 @@ class MeshBase(IDManagerMixin, ABC):
 
         # In order to get mesh into model, we temporarily replace the
         # tallies with a single mesh tally using the current mesh
-        original_tallies = model.tallies
+        original_tallies = list(model.tallies)
         new_tally = openmc.Tally()
         new_tally.filters = [openmc.MeshFilter(self)]
         new_tally.scores = ['flux']
diff --git a/openmc/model/model.py b/openmc/model/model.py
index 7963751d5..64294c23c 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -212,6 +212,29 @@ class Model:
             result[mat.name].add(mat)
         return result
 
+    # TODO: This should really get incorporated in lower-level calls to
+    # get_all_materials, but right now it requires information from the Model object
+    def _get_all_materials(self) -> dict[int, openmc.Material]:
+        """Get all materials including those in DAGMC universes
+
+        Returns
+        -------
+        dict
+            Dictionary mapping material ID to material instances
+        """
+        # Get all materials from the Geometry object
+        materials = self.geometry.get_all_materials()
+
+        # Account for materials in DAGMC universes
+        for cell in self.geometry.get_all_cells().values():
+            if isinstance(cell.fill, openmc.DAGMCUniverse):
+                names = cell.fill.material_names
+                materials.update({
+                    mat.id: mat for mat in self.materials if mat.name in names
+                })
+
+        return materials
+
     def add_kinetics_parameters_tallies(self, num_groups: int | None = None):
         """Add tallies for calculating kinetics parameters using the IFP method.
 
diff --git a/openmc/utility_funcs.py b/openmc/utility_funcs.py
index da9f73b16..935a58985 100644
--- a/openmc/utility_funcs.py
+++ b/openmc/utility_funcs.py
@@ -3,6 +3,8 @@ import os
 from pathlib import Path
 from tempfile import TemporaryDirectory
 
+import h5py
+
 import openmc
 from .checkvalue import PathLike
 
@@ -57,3 +59,20 @@ def input_path(filename: PathLike) -> Path:
         return Path(filename).resolve()
     else:
         return Path(filename)
+
+
+@contextmanager
+def h5py_file_or_group(group_or_filename: PathLike | h5py.Group, *args, **kwargs):
+    """Context manager for opening an HDF5 file or using an existing group
+
+    Parameters
+    ----------
+    group_or_filename : path-like or h5py.Group
+        Path to HDF5 file, or group from an existing HDF5 file
+
+    """
+    if isinstance(group_or_filename, h5py.Group):
+        yield group_or_filename
+    else:
+        with h5py.File(group_or_filename, *args, **kwargs) as f:
+            yield f
diff --git a/tests/unit_tests/test_r2s.py b/tests/unit_tests/test_r2s.py
new file mode 100644
index 000000000..a94f85c8c
--- /dev/null
+++ b/tests/unit_tests/test_r2s.py
@@ -0,0 +1,152 @@
+from pathlib import Path
+
+import pytest
+import openmc
+from openmc.deplete import Chain, R2SManager
+
+
+@pytest.fixture
+def simple_model_and_mesh(tmp_path):
+    # Define two materials: water and Ni
+    h2o = openmc.Material()
+    h2o.add_nuclide("H1", 2.0)
+    h2o.add_nuclide("O16", 1.0)
+    h2o.set_density("g/cm3", 1.0)
+    nickel = openmc.Material()
+    nickel.add_element("Ni", 1.0)
+    nickel.set_density("g/cm3", 4.0)
+
+    # Geometry: two half-spaces split by x=0 plane
+    left = openmc.XPlane(0.0)
+    x_min = openmc.XPlane(-10.0, boundary_type='vacuum')
+    x_max = openmc.XPlane(10.0, boundary_type='vacuum')
+    y_min = openmc.YPlane(-10.0, boundary_type='vacuum')
+    y_max = openmc.YPlane(10.0, boundary_type='vacuum')
+    z_min = openmc.ZPlane(-10.0, boundary_type='vacuum')
+    z_max = openmc.ZPlane(10.0, boundary_type='vacuum')
+
+    c1 = openmc.Cell(fill=h2o, region=+x_min & -left & +y_min & -y_max & +z_min & -z_max)
+    c2 = openmc.Cell(fill=nickel, region=+left & -x_max & +y_min & -y_max & +z_min & -z_max)
+    c1.volume = 4000.0
+    c2.volume = 4000.0
+    geometry = openmc.Geometry([c1, c2])
+
+    # Simple settings with a point source
+    settings = openmc.Settings()
+    settings.batches = 10
+    settings.particles = 1000
+    settings.run_mode = 'fixed source'
+    settings.source = openmc.IndependentSource()
+    model = openmc.Model(geometry, settings=settings)
+
+    mesh = openmc.RegularMesh()
+    mesh.lower_left = (-10.0, -10.0, -10.0)
+    mesh.upper_right = (10.0, 10.0, 10.0)
+    mesh.dimension = (1, 1, 1)
+    return model, (c1, c2), mesh
+
+
+def test_r2s_mesh_expected_output(simple_model_and_mesh, tmp_path):
+    model, (c1, c2), mesh = simple_model_and_mesh
+
+    # Use mesh-based domains
+    r2s = R2SManager(model, mesh)
+
+    # Use custom reduced chain file for Ni
+    chain = Chain.from_xml(Path(__file__).parents[1] / "chain_ni.xml")
+
+    # Run R2S calculation
+    outdir = r2s.run(
+        timesteps=[(1.0, 'd')],
+        source_rates=[1.0],
+        photon_time_indices=[1],
+        output_dir=tmp_path,
+        chain_file=chain,
+    )
+
+    # Check directories and files exist
+    nt = Path(outdir) / 'neutron_transport'
+    assert (nt / 'fluxes.npy').exists()
+    assert (nt / 'micros.h5').exists()
+    assert (nt / 'mesh_material_volumes.npz').exists()
+    act = Path(outdir) / 'activation'
+    assert (act / 'depletion_results.h5').exists()
+    pt = Path(outdir) / 'photon_transport'
+    assert (pt / 'tally_ids.json').exists()
+    assert (pt / 'time_1' / 'statepoint.10.h5').exists()
+
+    # Basic results structure checks
+    assert len(r2s.results['fluxes']) == 2
+    assert len(r2s.results['micros']) == 2
+    assert len(r2s.results['mesh_material_volumes']) == 2
+    assert len(r2s.results['activation_materials']) == 2
+    assert len(r2s.results['depletion_results']) == 2
+
+    # Check activation materials
+    amats = r2s.results['activation_materials']
+    assert all(m.depletable for m in amats)
+    # Volumes preserved
+    assert {m.volume for m in amats} == {c1.volume, c2.volume}
+
+    # Check loading results
+    r2s_loaded = R2SManager(model, mesh)
+    r2s_loaded.load_results(outdir)
+    assert len(r2s_loaded.results['fluxes']) == 2
+    assert len(r2s_loaded.results['micros']) == 2
+    assert len(r2s_loaded.results['mesh_material_volumes']) == 2
+    assert len(r2s_loaded.results['activation_materials']) == 2
+    assert len(r2s_loaded.results['depletion_results']) == 2
+
+
+def test_r2s_cell_expected_output(simple_model_and_mesh, tmp_path):
+    model, (c1, c2), _ = simple_model_and_mesh
+
+    # Use cell-based domains
+    r2s = R2SManager(model, [c1, c2])
+
+    # Use custom reduced chain file for Ni
+    chain = Chain.from_xml(Path(__file__).parents[1] / "chain_ni.xml")
+
+    # Run R2S calculation
+    bounding_boxes = {c1.id: c1.bounding_box, c2.id: c2.bounding_box}
+    outdir = r2s.run(
+        timesteps=[(1.0, 'd')],
+        source_rates=[1.0],
+        photon_time_indices=[1],
+        output_dir=tmp_path,
+        bounding_boxes=bounding_boxes,
+        chain_file=chain
+    )
+
+    # Check directories and files exist
+    nt = Path(outdir) / 'neutron_transport'
+    assert (nt / 'fluxes.npy').exists()
+    assert (nt / 'micros.h5').exists()
+    act = Path(outdir) / 'activation'
+    assert (act / 'depletion_results.h5').exists()
+    pt = Path(outdir) / 'photon_transport'
+    assert (pt / 'tally_ids.json').exists()
+    assert (pt / 'time_1' / 'statepoint.10.h5').exists()
+
+    # Basic results structure checks
+    assert len(r2s.results['fluxes']) == 2
+    assert len(r2s.results['micros']) == 2
+    assert len(r2s.results['activation_materials']) == 2
+    assert len(r2s.results['depletion_results']) == 2
+
+    # Check activation materials
+    amats = r2s.results['activation_materials']
+    assert all(m.depletable for m in amats)
+    # Names include cell IDs
+    assert any(f"Cell {c1.id}" in m.name for m in amats)
+    assert any(f"Cell {c2.id}" in m.name for m in amats)
+    # Volumes preserved
+    assert {m.volume for m in amats} == {c1.volume, c2.volume}
+
+    # Check loading results
+    r2s_loaded = R2SManager(model, [c1, c2])
+    r2s_loaded.load_results(outdir)
+    assert len(r2s_loaded.results['fluxes']) == 2
+    assert len(r2s_loaded.results['micros']) == 2
+    assert len(r2s_loaded.results['activation_materials']) == 2
+    assert len(r2s_loaded.results['depletion_results']) == 2

From fd964bc9b04dcf2090b212b8307551b32fea810b Mon Sep 17 00:00:00 2001
From: GuySten <62616591+GuySten@users.noreply.github.com>
Date: Mon, 3 Nov 2025 09:42:59 +0200
Subject: [PATCH 2422/2654] Enable specifying reference direction for azimuthal
 angle in PolarAzimuthal distribution (#3582)

Co-authored-by: shimwell <mail@jshimwell.com>
---
 include/openmc/distribution_multi.h           |  2 ++
 openmc/stats/multivariate.py                  | 25 +++++++++++++++-
 src/distribution_multi.cpp                    | 15 +++++++++-
 tests/regression_tests/source/inputs_true.dat |  2 +-
 .../regression_tests/source/results_true.dat  |  2 +-
 tests/unit_tests/test_stats.py                | 30 +++++++++++++++++++
 6 files changed, 72 insertions(+), 4 deletions(-)

diff --git a/include/openmc/distribution_multi.h b/include/openmc/distribution_multi.h
index 9e84d03d5..75126593f 100644
--- a/include/openmc/distribution_multi.h
+++ b/include/openmc/distribution_multi.h
@@ -51,6 +51,8 @@ public:
   Distribution* phi() const { return phi_.get(); }
 
 private:
+  Direction v_ref_ {1.0, 0.0, 0.0}; //!< reference direction
+  Direction w_ref_;
   UPtrDist mu_;  //!< Distribution of polar angle
   UPtrDist phi_; //!< Distribution of azimuthal angle
 };
diff --git a/openmc/stats/multivariate.py b/openmc/stats/multivariate.py
index 222d2d18a..1ce998758 100644
--- a/openmc/stats/multivariate.py
+++ b/openmc/stats/multivariate.py
@@ -79,6 +79,9 @@ class PolarAzimuthal(UnitSphere):
     reference_uvw : Iterable of float
         Direction from which polar angle is measured. Defaults to the positive
         z-direction.
+    reference_vwu : Iterable of float
+        Direction from which azimuthal angle is measured. Defaults to the positive
+        x-direction.    
 
     Attributes
     ----------
@@ -89,8 +92,9 @@ class PolarAzimuthal(UnitSphere):
 
     """
 
-    def __init__(self, mu=None, phi=None, reference_uvw=(0., 0., 1.)):
+    def __init__(self, mu=None, phi=None, reference_uvw=(0., 0., 1.), reference_vwu=(1., 0., 0.)):
         super().__init__(reference_uvw)
+        self.reference_vwu = reference_vwu
         if mu is not None:
             self.mu = mu
         else:
@@ -100,6 +104,20 @@ class PolarAzimuthal(UnitSphere):
             self.phi = phi
         else:
             self.phi = Uniform(0., 2*pi)
+            
+    @property
+    def reference_vwu(self):
+        return self._reference_vwu
+
+    @reference_vwu.setter
+    def reference_vwu(self, vwu):
+        cv.check_type('reference v direction', vwu, Iterable, Real)
+        vwu = np.asarray(vwu)
+        uvw = self.reference_uvw
+        cv.check_greater_than('reference v direction must not be parallel to reference u direction', np.linalg.norm(np.cross(vwu,uvw)), 1e-6*np.linalg.norm(vwu))        
+        vwu -= vwu.dot(uvw)*uvw        
+        cv.check_less_than('reference v direction must be orthogonal to reference u direction', np.abs(vwu.dot(uvw)), 1e-6)
+        self._reference_vwu = vwu/np.linalg.norm(vwu)
 
     @property
     def mu(self):
@@ -132,6 +150,8 @@ class PolarAzimuthal(UnitSphere):
         element.set("type", "mu-phi")
         if self.reference_uvw is not None:
             element.set("reference_uvw", ' '.join(map(str, self.reference_uvw)))
+        if self.reference_vwu is not None:
+            element.set("reference_vwu", ' '.join(map(str, self.reference_vwu)))    
         element.append(self.mu.to_xml_element('mu'))
         element.append(self.phi.to_xml_element('phi'))
         return element
@@ -155,6 +175,9 @@ class PolarAzimuthal(UnitSphere):
         uvw = get_elem_list(elem, "reference_uvw", float)
         if uvw is not None:
             mu_phi.reference_uvw = uvw
+        vwu = get_elem_list(elem, "reference_vwu", float)
+        if vwu is not None:
+            mu_phi.reference_vwu = vwu            
         mu_phi.mu = Univariate.from_xml_element(elem.find('mu'))
         mu_phi.phi = Univariate.from_xml_element(elem.find('phi'))
         return mu_phi
diff --git a/src/distribution_multi.cpp b/src/distribution_multi.cpp
index b7b3efe52..cdb33adc2 100644
--- a/src/distribution_multi.cpp
+++ b/src/distribution_multi.cpp
@@ -58,6 +58,15 @@ PolarAzimuthal::PolarAzimuthal(Direction u, UPtrDist mu, UPtrDist phi)
 PolarAzimuthal::PolarAzimuthal(pugi::xml_node node)
   : UnitSphereDistribution {node}
 {
+  // Read reference directional unit vector
+  if (check_for_node(node, "reference_vwu")) {
+    auto v_ref = get_node_array<double>(node, "reference_vwu");
+    if (v_ref.size() != 3)
+      fatal_error("Angular distribution reference v direction must have "
+                  "three parameters specified.");
+    v_ref_ = Direction(v_ref.data());
+  }
+  w_ref_ = u_ref_.cross(v_ref_);
   if (check_for_node(node, "mu")) {
     pugi::xml_node node_dist = node.child("mu");
     mu_ = distribution_from_xml(node_dist);
@@ -79,11 +88,15 @@ Direction PolarAzimuthal::sample(uint64_t* seed) const
   double mu = mu_->sample(seed);
   if (mu == 1.0)
     return u_ref_;
+  if (mu == -1.0)
+    return -u_ref_;
 
   // Sample azimuthal angle
   double phi = phi_->sample(seed);
 
-  return rotate_angle(u_ref_, mu, &phi, seed);
+  double f = std::sqrt(1 - mu * mu);
+
+  return mu * u_ref_ + f * std::cos(phi) * v_ref_ + f * std::sin(phi) * w_ref_;
 }
 
 //==============================================================================
diff --git a/tests/regression_tests/source/inputs_true.dat b/tests/regression_tests/source/inputs_true.dat
index 9f10b79d6..0c3764ba6 100644
--- a/tests/regression_tests/source/inputs_true.dat
+++ b/tests/regression_tests/source/inputs_true.dat
@@ -25,7 +25,7 @@
           <parameters>-2.0 0.0 2.0 0.2 0.3 0.2</parameters>
         </z>
       </space>
-      <angle type="mu-phi" reference_uvw="0.0 0.0 1.0">
+      <angle type="mu-phi" reference_uvw="0.0 0.0 1.0" reference_vwu="1.0 0.0 0.0">
         <mu type="discrete">
           <parameters>-1.0 0.0 1.0 0.5 0.25 0.25</parameters>
         </mu>
diff --git a/tests/regression_tests/source/results_true.dat b/tests/regression_tests/source/results_true.dat
index 951075bbb..7d03c696d 100644
--- a/tests/regression_tests/source/results_true.dat
+++ b/tests/regression_tests/source/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-3.034717E-01 2.799386E-03
+3.080655E-01 4.837707E-03
diff --git a/tests/unit_tests/test_stats.py b/tests/unit_tests/test_stats.py
index abf143f12..998d4b984 100644
--- a/tests/unit_tests/test_stats.py
+++ b/tests/unit_tests/test_stats.py
@@ -516,3 +516,33 @@ def test_combine_distributions():
     # uncertainty of the expected value
     samples = combined.sample(10_000)
     assert_sample_mean(samples, 0.25)
+
+def test_reference_vwu_projection():
+    """When a non-orthogonal vector is provided, the setter should project out
+    any component along reference_uvw so the stored vector is orthogonal.
+    """
+    pa = openmc.stats.PolarAzimuthal()  # default reference_uvw == (0, 0, 1)
+
+    # Provide a vector that is not orthogonal to (0,0,1)
+    pa.reference_vwu = (2.0, 0.5, 0.3)
+
+    reference_v = np.asarray(pa.reference_vwu)
+    reference_u = np.asarray(pa.reference_uvw)
+
+    # reference_v should be orthogonal to reference_u
+    assert abs(np.dot(reference_v, reference_u)) < 1e-6
+
+
+def test_reference_vwu_normalization():
+    """When a non-normalized vector is provided, the setter should normalize
+    the projected vector to unit length.
+    """
+    pa = openmc.stats.PolarAzimuthal()  # default reference_uvw == (0, 0, 1)
+
+    # Provide a vector that is neither orthogonal to (0,0,1) nor unit-length
+    pa.reference_vwu = (2.0, 0.5, 0.3)
+
+    reference_v = np.asarray(pa.reference_vwu)
+
+    # reference_v should be unit length
+    assert np.isclose(np.linalg.norm(reference_v), 1.0, atol=1e-12)

From 2d8e006c3de9c8fbc0b010357ebf5a870909c8bc Mon Sep 17 00:00:00 2001
From: Perry <100789850+yrrepy@users.noreply.github.com>
Date: Mon, 3 Nov 2025 09:10:30 -0800
Subject: [PATCH 2423/2654] Enable nuclide filters with get_decay_photon_energy
 (#3614)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/material.py | 34 +++++++++++++++++++++++++---------
 1 file changed, 25 insertions(+), 9 deletions(-)

diff --git a/openmc/material.py b/openmc/material.py
index c7b954b66..1609da05a 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -290,11 +290,13 @@ class Material(IDManagerMixin):
         return self.get_decay_photon_energy(0.0)
 
     def get_decay_photon_energy(
-            self,
-            clip_tolerance: float = 1e-6,
-            units: str = 'Bq',
-            volume: float | None = None
-        ) -> Univariate | None:
+        self,
+        clip_tolerance: float = 1e-6,
+        units: str = 'Bq',
+        volume: float | None = None,
+        exclude_nuclides: list[str] | None = None,
+        include_nuclides: list[str] | None = None
+    ) -> Univariate | None:
         r"""Return energy distribution of decay photons from unstable nuclides.
 
         .. versionadded:: 0.14.0
@@ -302,22 +304,31 @@ class Material(IDManagerMixin):
         Parameters
         ----------
         clip_tolerance : float
-            Maximum fraction of :math:`\sum_i x_i p_i` for discrete
-            distributions that will be discarded.
+            Maximum fraction of :math:`\sum_i x_i p_i` for discrete distributions
+            that will be discarded.
         units : {'Bq', 'Bq/g', 'Bq/kg', 'Bq/cm3'}
             Specifies the units on the integral of the distribution.
         volume : float, optional
             Volume of the material. If not passed, defaults to using the
             :attr:`Material.volume` attribute.
+        exclude_nuclides : list of str, optional
+            Nuclides to exclude from the photon source calculation.
+        include_nuclides : list of str, optional
+            Nuclides to include in the photon source calculation. If specified,
+            only these nuclides are used.
 
         Returns
         -------
         Univariate or None
-            Decay photon energy distribution. The integral of this distribution
-            is the total intensity of the photon source in the requested units.
+            Decay photon energy distribution. The integral of this distribution is
+            the total intensity of the photon source in the requested units.
 
         """
         cv.check_value('units', units, {'Bq', 'Bq/g', 'Bq/kg', 'Bq/cm3'})
+
+        if exclude_nuclides is not None and include_nuclides is not None:
+            raise ValueError("Cannot specify both exclude_nuclides and include_nuclides")
+
         if units == 'Bq':
             multiplier = volume if volume is not None else self.volume
             if multiplier is None:
@@ -332,6 +343,11 @@ class Material(IDManagerMixin):
         dists = []
         probs = []
         for nuc, atoms_per_bcm in self.get_nuclide_atom_densities().items():
+            if exclude_nuclides is not None and nuc in exclude_nuclides:
+                continue
+            if include_nuclides is not None and nuc not in include_nuclides:
+                continue
+
             source_per_atom = openmc.data.decay_photon_energy(nuc)
             if source_per_atom is not None and atoms_per_bcm > 0.0:
                 dists.append(source_per_atom)

From bd76fc056651e33d138d18dbee061c0a7bc83823 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Mon, 3 Nov 2025 11:11:57 -0600
Subject: [PATCH 2424/2654] Fix bug in normalization of tally results with
 no_reduce (#3619)

---
 src/tallies/tally.cpp              |  7 +++++-
 tests/unit_tests/test_no_reduce.py | 40 ++++++++++++++++++++++++++++++
 2 files changed, 46 insertions(+), 1 deletion(-)
 create mode 100644 tests/unit_tests/test_no_reduce.py

diff --git a/src/tallies/tally.cpp b/src/tallies/tally.cpp
index b9c615ecb..12ee3427e 100644
--- a/src/tallies/tally.cpp
+++ b/src/tallies/tally.cpp
@@ -825,9 +825,14 @@ void Tally::accumulate()
       total_source = 1.0;
     }
 
+    // Determine number of particles contributing to tally
+    double contributing_particles = settings::reduce_tallies
+                                      ? settings::n_particles
+                                      : simulation::work_per_rank;
+
     // Account for number of source particles in normalization
     double norm =
-      total_source / (settings::n_particles * settings::gen_per_batch);
+      total_source / (contributing_particles * settings::gen_per_batch);
 
     if (settings::solver_type == SolverType::RANDOM_RAY) {
       norm = 1.0;
diff --git a/tests/unit_tests/test_no_reduce.py b/tests/unit_tests/test_no_reduce.py
new file mode 100644
index 000000000..00ddb5a95
--- /dev/null
+++ b/tests/unit_tests/test_no_reduce.py
@@ -0,0 +1,40 @@
+"""Test the settings.no_reduce feature to ensure tallies are correctly
+reduced across MPI processes."""
+
+import openmc
+import pytest
+
+from tests.testing_harness import config
+
+
+@pytest.mark.parametrize('no_reduce', [True, False])
+def test_no_reduce(no_reduce, run_in_tmpdir):
+    """Test that tally results are correct with and without no_reduce."""
+
+    # Create simple sphere model with vacuum
+    model = openmc.Model()
+    sphere = openmc.Sphere(r=1.0, boundary_type='vacuum')
+    cell = openmc.Cell(region=-sphere)
+    model.geometry = openmc.Geometry([cell])
+    model.settings.run_mode = 'fixed source'
+    model.settings.batches = 10
+    model.settings.particles = 100
+    model.settings.source = openmc.IndependentSource(space=openmc.stats.Point())
+    model.settings.no_reduce = no_reduce
+
+    # Tally: surface current on vacuum boundary
+    surf_filter = openmc.SurfaceFilter(sphere)
+    tally = openmc.Tally()
+    tally.filters = [surf_filter]
+    tally.scores = ['current']
+    model.tallies = [tally]
+
+    # Run OpenMC with proper MPI arguments if needed
+    kwargs = {'apply_tally_results': True, 'openmc_exec': config['exe']}
+    if config['mpi']:
+        kwargs['mpi_args'] = [config['mpiexec'], '-n', config['mpi_np']]
+    model.run(**kwargs)
+
+    # The tally should be ~1.0 (every particle crosses the surface once)
+    tally_mean = tally.mean.flatten()[0]
+    assert tally_mean == pytest.approx(1.0)

From e5c7d0ca88983cdd37bb9870cd1fccc8e4301736 Mon Sep 17 00:00:00 2001
From: Jon Shimwell <jon@proximafusion.com>
Date: Wed, 5 Nov 2025 17:03:20 +0100
Subject: [PATCH 2425/2654] Adding vtkhdf option to write vtk data (#3252)

Co-authored-by: shimwell <mail@jshimwell.com>
Co-authored-by: Jonathan Shimwell <drshimwell@gmail.com>
Co-authored-by: rherrero-pf <156206440+rherrero-pf@users.noreply.github.com>
Co-authored-by: Patrick Shriwise <pshriwise@gmail.com>
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/mesh.py                                | 166 ++++++++++++++++--
 .../test_mesh_dagmc_tets.vtk                  | 159 +++++++++++++++++
 tests/unit_tests/test_mesh.py                 |  69 ++++++++
 tests/unit_tests/test_mesh_dagmc_tets.vtk     |   1 +
 4 files changed, 377 insertions(+), 18 deletions(-)
 create mode 100644 tests/regression_tests/unstructured_mesh/test_mesh_dagmc_tets.vtk
 create mode 120000 tests/unit_tests/test_mesh_dagmc_tets.vtk

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 3d93d87a1..ce5218b5e 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -5,6 +5,7 @@ from collections.abc import Iterable, Sequence, Mapping
 from functools import wraps
 from math import pi, sqrt, atan2
 from numbers import Integral, Real
+from pathlib import Path
 from typing import Protocol
 
 import h5py
@@ -2443,6 +2444,7 @@ class UnstructuredMesh(MeshBase):
     _UNSUPPORTED_ELEM = -1
     _LINEAR_TET = 0
     _LINEAR_HEX = 1
+    _VTK_TETRA = 10
 
     def __init__(self, filename: PathLike, library: str, mesh_id: int | None = None,
                  name: str = '', length_multiplier: float = 1.0,
@@ -2652,7 +2654,8 @@ class UnstructuredMesh(MeshBase):
         warnings.warn(
             "The 'UnstructuredMesh.write_vtk_mesh' method has been renamed "
             "to 'write_data_to_vtk' and will be removed in a future version "
-            " of OpenMC.", FutureWarning
+            " of OpenMC.",
+            FutureWarning,
         )
         self.write_data_to_vtk(**kwargs)
 
@@ -2670,9 +2673,10 @@ class UnstructuredMesh(MeshBase):
         Parameters
         ----------
         filename : str or pathlib.Path
-            Name of the VTK file to write. If the filename ends in '.vtu' then a
-            binary VTU format file will be written, if the filename ends in
-            '.vtk' then a legacy VTK file will be written.
+            Name of the VTK file to write. If the filename ends in '.vtkhdf'
+            then a VTKHDF format file will be written. If the filename ends in
+            '.vtu' then a binary VTU format file will be written. If the
+            filename ends in '.vtk' then a legacy VTK file will be written.
         datasets : dict
             Dictionary whose keys are the data labels and values are numpy
             appropriately sized arrays of the data
@@ -2680,6 +2684,35 @@ class UnstructuredMesh(MeshBase):
             Whether or not to normalize the data by the volume of the mesh
             elements
         """
+
+        if Path(filename).suffix == ".vtkhdf":
+
+            self._write_data_to_vtk_hdf5_format(
+                filename=filename,
+                datasets=datasets,
+                volume_normalization=volume_normalization,
+            )
+
+        elif Path(filename).suffix == ".vtk" or Path(filename).suffix == ".vtu":
+
+            self._write_data_to_vtk_ascii_format(
+                filename=filename,
+                datasets=datasets,
+                volume_normalization=volume_normalization,
+            )
+
+        else:
+            raise ValueError(
+                "Unsupported file extension, The filename must end with "
+                "'.vtkhdf', '.vtu' or '.vtk'"
+            )
+
+    def _write_data_to_vtk_ascii_format(
+        self,
+        filename: PathLike | None = None,
+        datasets: dict | None = None,
+        volume_normalization: bool = True,
+    ):
         from vtkmodules.util import numpy_support
         from vtkmodules import vtkCommonCore
         from vtkmodules import vtkCommonDataModel
@@ -2687,9 +2720,7 @@ class UnstructuredMesh(MeshBase):
         from vtkmodules import vtkIOXML
 
         if self.connectivity is None or self.vertices is None:
-            raise RuntimeError(
-                "This mesh has not been loaded from a statepoint file."
-            )
+            raise RuntimeError("This mesh has not been loaded from a statepoint file.")
 
         if filename is None:
             filename = f"mesh_{self.id}.vtk"
@@ -2771,29 +2802,128 @@ class UnstructuredMesh(MeshBase):
 
         writer.Write()
 
+    def _write_data_to_vtk_hdf5_format(
+        self,
+        filename: PathLike | None = None,
+        datasets: dict | None = None,
+        volume_normalization: bool = True,
+    ):
+        def append_dataset(dset, array):
+            """Convenience function to append data to an HDF5 dataset"""
+            origLen = dset.shape[0]
+            dset.resize(origLen + array.shape[0], axis=0)
+            dset[origLen:] = array
+
+        if self.library != "moab":
+            raise NotImplementedError("VTKHDF output is only supported for MOAB meshes")
+
+        # the self.connectivity contains arrays of length 8 to support hex
+        # elements as well, in the case of tetrahedra mesh elements, the
+        # last 4 values are -1 and are removed
+        trimmed_connectivity = []
+        for cell in self.connectivity:
+            # Find the index of the first -1 value, if any
+            first_negative_index = np.where(cell == -1)[0]
+            if first_negative_index.size > 0:
+                # Slice the array up to the first -1 value
+                trimmed_connectivity.append(cell[: first_negative_index[0]])
+            else:
+                # No -1 values, append the whole cell
+                trimmed_connectivity.append(cell)
+        trimmed_connectivity = np.array(trimmed_connectivity, dtype="int32").flatten()
+
+        # MOAB meshes supports tet elements only so we know it has 4 points per cell
+        points_per_cell = 4
+
+        # offsets are the indices of the first point of each cell in the array of points
+        offsets = np.arange(0, self.n_elements * points_per_cell + 1, points_per_cell)
+
+        for name, data in datasets.items():
+            if data.shape != self.dimension:
+                raise ValueError(
+                    f'Cannot apply dataset "{name}" with '
+                    f"shape {data.shape} to mesh {self.id} "
+                    f"with dimensions {self.dimension}"
+                )
+
+        with h5py.File(filename, "w") as f:
+
+            root = f.create_group("VTKHDF")
+            vtk_file_format_version = (2, 1)
+            root.attrs["Version"] = vtk_file_format_version
+            ascii_type = "UnstructuredGrid".encode("ascii")
+            root.attrs.create(
+                "Type",
+                ascii_type,
+                dtype=h5py.string_dtype("ascii", len(ascii_type)),
+            )
+
+            # create hdf5 file structure
+            root.create_dataset("NumberOfPoints", (0,), maxshape=(None,), dtype="i8")
+            root.create_dataset("Types", (0,), maxshape=(None,), dtype="uint8")
+            root.create_dataset("Points", (0, 3), maxshape=(None, 3), dtype="f")
+            root.create_dataset(
+                "NumberOfConnectivityIds", (0,), maxshape=(None,), dtype="i8"
+            )
+            root.create_dataset("NumberOfCells", (0,), maxshape=(None,), dtype="i8")
+            root.create_dataset("Offsets", (0,), maxshape=(None,), dtype="i8")
+            root.create_dataset("Connectivity", (0,), maxshape=(None,), dtype="i8")
+
+            append_dataset(root["NumberOfPoints"], np.array([len(self.vertices)]))
+            append_dataset(root["Points"], self.vertices)
+            append_dataset(
+                root["NumberOfConnectivityIds"],
+                np.array([len(trimmed_connectivity)]),
+            )
+            append_dataset(root["Connectivity"], trimmed_connectivity)
+            append_dataset(root["NumberOfCells"], np.array([self.n_elements]))
+            append_dataset(root["Offsets"], offsets)
+
+            append_dataset(
+                root["Types"], np.full(self.n_elements, self._VTK_TETRA, dtype="uint8")
+            )
+
+            cell_data_group = root.create_group("CellData")
+
+            for name, data in datasets.items():
+
+                cell_data_group.create_dataset(
+                    name, (0,), maxshape=(None,), dtype="float64", chunks=True
+                )
+
+                if volume_normalization:
+                    data /= self.volumes
+                append_dataset(cell_data_group[name], data)
+
     @classmethod
     def from_hdf5(cls, group: h5py.Group, mesh_id: int, name: str):
-        filename = group['filename'][()].decode()
-        library = group['library'][()].decode()
-        if 'options' in group.attrs:
+        filename = group["filename"][()].decode()
+        library = group["library"][()].decode()
+        if "options" in group.attrs:
             options = group.attrs['options'].decode()
         else:
             options = None
 
-        mesh = cls(filename=filename, library=library, mesh_id=mesh_id, name=name, options=options)
+        mesh = cls(
+            filename=filename,
+            library=library,
+            mesh_id=mesh_id,
+            name=name,
+            options=options,
+        )
         mesh._has_statepoint_data = True
-        vol_data = group['volumes'][()]
+        vol_data = group["volumes"][()]
         mesh.volumes = np.reshape(vol_data, (vol_data.shape[0],))
         mesh.n_elements = mesh.volumes.size
 
-        vertices = group['vertices'][()]
+        vertices = group["vertices"][()]
         mesh._vertices = vertices.reshape((-1, 3))
-        connectivity = group['connectivity'][()]
+        connectivity = group["connectivity"][()]
         mesh._connectivity = connectivity.reshape((-1, 8))
-        mesh._element_types = group['element_types'][()]
+        mesh._element_types = group["element_types"][()]
 
-        if 'length_multiplier' in group:
-            mesh.length_multiplier = group['length_multiplier'][()]
+        if "length_multiplier" in group:
+            mesh.length_multiplier = group["length_multiplier"][()]
 
         return mesh
 
@@ -2812,7 +2942,7 @@ class UnstructuredMesh(MeshBase):
 
         element.set("library", self._library)
         if self.options is not None:
-            element.set('options', self.options)
+            element.set("options", self.options)
         subelement = ET.SubElement(element, "filename")
         subelement.text = str(self.filename)
 
diff --git a/tests/regression_tests/unstructured_mesh/test_mesh_dagmc_tets.vtk b/tests/regression_tests/unstructured_mesh/test_mesh_dagmc_tets.vtk
new file mode 100644
index 000000000..2ddd228cf
--- /dev/null
+++ b/tests/regression_tests/unstructured_mesh/test_mesh_dagmc_tets.vtk
@@ -0,0 +1,159 @@
+# vtk DataFile Version 2.0
+made_with_cad_to_dagmc_package, Created by Gmsh 4.12.1 
+ASCII
+DATASET UNSTRUCTURED_GRID
+POINTS 14 double
+-0.5 -0.5 0.5
+-0.5 -0.5 -0.5
+-0.5 0.5 0.5
+-0.5 0.5 -0.5
+0.5 -0.5 0.5
+0.5 -0.5 -0.5
+0.5 0.5 0.5
+0.5 0.5 -0.5
+-0.5 0 0
+0.5 0 0
+0 -0.5 0
+0 0.5 0
+0 0 -0.5
+0 0 0.5
+
+CELLS 68 268
+1 0
+1 1
+1 2
+1 3
+1 4
+1 5
+1 6
+1 7
+2 1 0
+2 0 2
+2 3 2
+2 1 3
+2 5 4
+2 4 6
+2 7 6
+2 5 7
+2 1 5
+2 0 4
+2 3 7
+2 2 6
+3 1 0 8
+3 0 2 8
+3 3 1 8
+3 2 3 8
+3 5 9 4
+3 4 9 6
+3 7 9 5
+3 6 9 7
+3 0 1 10
+3 4 0 10
+3 1 5 10
+3 5 4 10
+3 2 11 3
+3 6 11 2
+3 3 11 7
+3 7 11 6
+3 1 3 12
+3 5 1 12
+3 3 7 12
+3 7 5 12
+3 0 13 2
+3 4 13 0
+3 2 13 6
+3 6 13 4
+4 13 8 12 10
+4 11 8 12 13
+4 12 11 13 9
+4 10 12 13 9
+4 12 3 11 7
+4 13 2 8 0
+4 8 12 1 3
+4 11 3 8 2
+4 10 8 1 0
+4 0 10 13 4
+4 1 12 10 5
+4 11 2 13 6
+4 4 9 13 6
+4 6 9 11 7
+4 10 9 4 5
+4 7 9 12 5
+4 3 8 12 11
+4 1 12 8 10
+4 8 11 2 13
+4 10 13 8 0
+4 13 10 9 4
+4 11 13 9 6
+4 12 11 9 7
+4 9 10 12 5
+
+CELL_TYPES 68
+1
+1
+1
+1
+1
+1
+1
+1
+3
+3
+3
+3
+3
+3
+3
+3
+3
+3
+3
+3
+5
+5
+5
+5
+5
+5
+5
+5
+5
+5
+5
+5
+5
+5
+5
+5
+5
+5
+5
+5
+5
+5
+5
+5
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
+10
diff --git a/tests/unit_tests/test_mesh.py b/tests/unit_tests/test_mesh.py
index f0f289408..9aca8b596 100644
--- a/tests/unit_tests/test_mesh.py
+++ b/tests/unit_tests/test_mesh.py
@@ -2,6 +2,7 @@ from math import pi
 from tempfile import TemporaryDirectory
 from pathlib import Path
 
+import h5py
 import numpy as np
 from scipy.stats import chi2
 import pytest
@@ -486,6 +487,74 @@ def test_umesh(run_in_tmpdir, simple_umesh, export_type):
     with pytest.raises(ValueError, match='Cannot apply dataset "mean"'):
         simple_umesh.write_data_to_vtk(datasets={'mean': ref_data[:-2]}, filename=filename)
 
+
+@pytest.mark.skipif(not openmc.lib._dagmc_enabled(), reason="DAGMC not enabled.")
+def test_write_vtkhdf(request, run_in_tmpdir):
+    """Performs a minimal UnstructuredMesh simulation, reads in the resulting
+    statepoint file and writes the mesh data to vtk and vtkhdf files. It is
+    necessary to read in the unstructured mesh from a statepoint file to ensure
+    it has all the required attributes
+    """
+    model = openmc.Model()
+
+    surf1 = openmc.Sphere(r=1000.0, boundary_type="vacuum")
+    cell1 = openmc.Cell(region=-surf1)
+    model.geometry = openmc.Geometry([cell1])
+
+    umesh = openmc.UnstructuredMesh(
+        request.path.parent / "test_mesh_dagmc_tets.vtk",
+        "moab",
+        mesh_id = 1
+    )
+    mesh_filter = openmc.MeshFilter(umesh)
+
+    # Create flux mesh tally to score alpha production
+    mesh_tally = openmc.Tally(name="test_tally")
+    mesh_tally.filters = [mesh_filter]
+    mesh_tally.scores = ["flux"]
+
+    model.tallies = [mesh_tally]
+
+    model.settings.run_mode = "fixed source"
+    model.settings.batches = 2
+    model.settings.particles = 10
+
+    statepoint_file = model.run()
+
+    with openmc.StatePoint(statepoint_file) as statepoint:
+        my_tally = statepoint.get_tally(name="test_tally")
+
+    umesh_from_sp = statepoint.meshes[umesh.id]
+
+    datasets={
+        "mean": my_tally.mean.flatten(),
+        "std_dev": my_tally.std_dev.flatten()
+    }
+
+    umesh_from_sp.write_data_to_vtk(datasets=datasets, filename="test_mesh.vtkhdf")
+    umesh_from_sp.write_data_to_vtk(datasets=datasets, filename="test_mesh.vtk")
+
+    with pytest.raises(ValueError, match="Unsupported file extension"):
+        # Supported file extensions are vtk or vtkhdf, not hdf5, so this should raise an error
+        umesh_from_sp.write_data_to_vtk(
+            datasets=datasets,
+            filename="test_mesh.hdf5",
+        )
+    with pytest.raises(ValueError, match="Cannot apply dataset"):
+        # The shape of the data should match the shape of the mesh, so this should raise an error
+        umesh_from_sp.write_data_to_vtk(
+            datasets={'incorrectly_shaped_data': np.array(([1,2,3]))},
+            filename="test_mesh_incorrect_shape.vtkhdf",
+        )
+
+    assert Path("test_mesh.vtk").exists()
+    assert Path("test_mesh.vtkhdf").exists()
+
+    # just ensure we can open the file without error
+    with h5py.File("test_mesh.vtkhdf", "r"):
+        ...
+
+
 def test_mesh_get_homogenized_materials():
     """Test the get_homogenized_materials method"""
     # Simple model with 1 cm of Fe56 next to 1 cm of H1
diff --git a/tests/unit_tests/test_mesh_dagmc_tets.vtk b/tests/unit_tests/test_mesh_dagmc_tets.vtk
new file mode 120000
index 000000000..9f7000175
--- /dev/null
+++ b/tests/unit_tests/test_mesh_dagmc_tets.vtk
@@ -0,0 +1 @@
+../regression_tests/unstructured_mesh/test_mesh_dagmc_tets.vtk
\ No newline at end of file

From c0f302db6845e2d303625317430b6ee26ff2cec7 Mon Sep 17 00:00:00 2001
From: Perry <100789850+yrrepy@users.noreply.github.com>
Date: Fri, 7 Nov 2025 08:58:40 -0800
Subject: [PATCH 2426/2654] Add energy group structure: SCALE-999 (#3564)

---
 openmc/mgxs/__init__.py | 208 +++++++++++++++++++++++++++++++++++++++-
 1 file changed, 205 insertions(+), 3 deletions(-)

diff --git a/openmc/mgxs/__init__.py b/openmc/mgxs/__init__.py
index 5de85afb0..682b5d550 100644
--- a/openmc/mgxs/__init__.py
+++ b/openmc/mgxs/__init__.py
@@ -13,8 +13,8 @@ GROUP_STRUCTURES = {}
 - "XMAS-172_" designed for LWR analysis ([SAR1990]_, [SAN2004]_)
 - "SHEM-361_" designed for LWR analysis to eliminate self-shielding calculations
   of thermal resonances ([HFA2005]_, [SAN2007]_, [HEB2008]_)
-- "SCALE-X" (where X is 44 which is designed for criticality analysis
-  and 252 is designed for thermal reactors) for the SCALE code suite
+- "SCALE-X" (where X is 44 which is designed for criticality analysis, 252 is designed
+  for thermal reactors and 999 for multipurpose activation) for the SCALE code suite
   ([ZAL1999]_ and [REARDEN2013]_)
 - "MPACT-X" (where X is 51 (PWR), 60 (BWR), 69 (Magnox)) from the MPACT_ reactor
   physics code ([KIM2019]_ and [KIM2020]_)
@@ -29,6 +29,7 @@ GROUP_STRUCTURES = {}
 .. _SCALE44: https://www-nds.iaea.org/publications/indc/indc-czr-0001.pdf
 .. _ECCO-33: https://serpent.vtt.fi/mediawiki/index.php/ECCO_33-group_structure
 .. _SCALE252: https://oecd-nea.org/science/wpncs/amct/workingarea/meeting2013/EGAMCT2013_08.pdf
+.. _SCALE999: https://info.ornl.gov/sites/publications/Files/Pub67728.pdf, https://www.nrc.gov/docs/ML1218/ML12184A002.pdf
 .. _MPACT: https://vera.ornl.gov/mpact/
 .. _XMAS-172: https://www-nds.iaea.org/wimsd/energy.htm
 .. _SHEM-361: http://merlin.polymtl.ca/downloads/FP214.pdf
@@ -593,7 +594,208 @@ GROUP_STRUCTURES['CCFE-709'] = np.array([
     2.4000e8, 2.8000e8, 3.2000e8, 3.6000e8, 4.0000e8,
     4.4000e8, 4.8000e8, 5.2000e8, 5.6000e8, 6.0000e8,
     6.4000e8, 6.8000e8, 7.2000e8, 7.6000e8, 8.0000e8,
-    8.4000e8, 8.8000e8, 9.2000e8, 9.6000e8, 1.0000e9,])
+    8.4000e8, 8.8000e8, 9.2000e8, 9.6000e8, 1.0000e9])
+GROUP_STRUCTURES['SCALE-999'] = np.array([
+    1.000e-5, 1.000e-4, 5.000e-4, 7.500e-4, 1.000e-3,
+    1.200e-3, 1.500e-3, 2.000e-3, 2.500e-3, 3.000e-3,
+    4.000e-3, 5.000e-3, 7.500e-3, 1.000e-2, 1.450e-2,
+    1.850e-2, 2.100e-2, 2.530e-2, 3.000e-2, 4.000e-2,
+    5.000e-2, 6.000e-2, 7.000e-2, 8.000e-2, 9.000e-2,
+    1.000e-1, 1.250e-1, 1.500e-1, 1.750e-1, 1.840e-1,
+    2.000e-1, 2.250e-1, 2.500e-1, 2.750e-1, 3.000e-1,
+    3.250e-1, 3.500e-1, 3.668e-1, 3.750e-1, 4.000e-1,
+    4.140e-1, 4.500e-1, 5.000e-1, 5.316e-1, 5.500e-1,
+    6.000e-1, 6.250e-1, 6.500e-1, 6.826e-1, 7.000e-1,
+    7.500e-1, 8.000e-1, 8.500e-1, 8.764e-1, 9.000e-1,
+    9.250e-1, 9.500e-1, 9.750e-1, 1.000e+0, 1.010e+0,
+    1.020e+0, 1.030e+0, 1.040e+0, 1.050e+0, 1.060e+0,
+    1.070e+0, 1.080e+0, 1.090e+0, 1.100e+0, 1.110e+0,
+    1.120e+0, 1.130e+0, 1.140e+0, 1.150e+0, 1.175e+0,
+    1.200e+0, 1.225e+0, 1.250e+0, 1.300e+0, 1.350e+0,
+    1.400e+0, 1.450e+0, 1.500e+0, 1.545e+0, 1.590e+0,
+    1.635e+0, 1.680e+0, 1.725e+0, 1.770e+0, 1.815e+0,
+    1.860e+0, 1.900e+0, 1.940e+0, 1.970e+0, 2.000e+0,
+    2.060e+0, 2.120e+0, 2.165e+0, 2.210e+0, 2.255e+0,
+    2.300e+0, 2.340e+0, 2.380e+0, 2.425e+0, 2.470e+0,
+    2.520e+0, 2.570e+0, 2.620e+0, 2.670e+0, 2.720e+0,
+    2.770e+0, 2.820e+0, 2.870e+0, 2.920e+0, 2.970e+0,
+    3.000e+0, 3.100e+0, 3.200e+0, 3.300e+0, 3.500e+0,
+    3.620e+0, 3.730e+0, 3.830e+0, 3.928e+0, 4.000e+0,
+    4.100e+0, 4.300e+0, 4.500e+0, 4.750e+0, 4.875e+0,
+    5.000e+0, 5.044e+0, 5.250e+0, 5.400e+0, 5.550e+0,
+    5.700e+0, 5.850e+0, 6.000e+0, 6.250e+0, 6.375e+0,
+    6.500e+0, 6.625e+0, 6.750e+0, 6.875e+0, 7.000e+0,
+    7.075e+0, 7.150e+0, 7.625e+0, 8.100e+0, 8.208e+0,
+    8.315e+0, 8.708e+0, 9.100e+0, 9.550e+0, 1.000e+1,
+    1.034e+1, 1.068e+1, 1.109e+1, 1.150e+1, 1.170e+1,
+    1.190e+1, 1.240e+1, 1.290e+1, 1.333e+1, 1.375e+1,
+    1.408e+1, 1.440e+1, 1.475e+1, 1.510e+1, 1.555e+1,
+    1.600e+1, 1.650e+1, 1.700e+1, 1.730e+1, 1.760e+1,
+    1.805e+1, 1.850e+1, 1.875e+1, 1.900e+1, 1.940e+1,
+    2.000e+1, 2.050e+1, 2.100e+1, 2.175e+1, 2.250e+1,
+    2.375e+1, 2.500e+1, 2.625e+1, 2.750e+1, 2.826e+1,
+    2.902e+1, 2.951e+1, 3.000e+1, 3.063e+1, 3.125e+1,
+    3.150e+1, 3.175e+1, 3.250e+1, 3.325e+1, 3.350e+1,
+    3.375e+1, 3.418e+1, 3.460e+1, 3.500e+1, 3.550e+1,
+    3.600e+1, 3.700e+1, 3.713e+1, 3.727e+1, 3.763e+1,
+    3.800e+1, 3.855e+1, 3.910e+1, 3.935e+1, 3.960e+1,
+    4.030e+1, 4.100e+1, 4.170e+1, 4.240e+1, 4.320e+1,
+    4.400e+1, 4.460e+1, 4.520e+1, 4.610e+1, 4.700e+1,
+    4.743e+1, 4.785e+1, 4.808e+1, 4.830e+1, 4.875e+1,
+    4.920e+1, 4.990e+1, 5.060e+1, 5.130e+1, 5.200e+1,
+    5.270e+1, 5.340e+1, 5.620e+1, 5.800e+1, 6.000e+1,
+    6.100e+1, 6.122e+1, 6.144e+1, 6.300e+1, 6.500e+1,
+    6.625e+1, 6.750e+1, 6.975e+1, 7.200e+1, 7.400e+1,
+    7.600e+1, 7.745e+1, 7.889e+1, 7.945e+1, 8.000e+1,
+    8.170e+1, 8.200e+1, 8.400e+1, 8.600e+1, 8.800e+1,
+    9.000e+1, 9.250e+1, 9.500e+1, 9.700e+1, 1.000e+2,
+    1.012e+2, 1.038e+2, 1.050e+2, 1.080e+2, 1.105e+2,
+    1.130e+2, 1.160e+2, 1.175e+2, 1.190e+2, 1.205e+2,
+    1.220e+2, 1.240e+2, 1.260e+2, 1.280e+2, 1.301e+2,
+    1.325e+2, 1.350e+2, 1.375e+2, 1.400e+2, 1.430e+2,
+    1.450e+2, 1.475e+2, 1.500e+2, 1.525e+2, 1.550e+2,
+    1.575e+2, 1.600e+2, 1.625e+2, 1.650e+2, 1.670e+2,
+    1.700e+2, 1.716e+2, 1.739e+2, 1.763e+2, 1.786e+2,
+    1.800e+2, 1.877e+2, 1.885e+2, 1.915e+2, 1.930e+2,
+    1.962e+2, 1.999e+2, 2.020e+2, 2.074e+2, 2.088e+2,
+    2.095e+2, 2.122e+2, 2.145e+2, 2.175e+2, 2.200e+2,
+    2.237e+2, 2.269e+2, 2.301e+2, 2.333e+2, 2.367e+2,
+    2.400e+2, 2.442e+2, 2.484e+2, 2.527e+2, 2.571e+2,
+    2.615e+2, 2.661e+2, 2.707e+2, 2.754e+2, 2.801e+2,
+    2.850e+2, 2.899e+2, 2.948e+2, 2.999e+2, 3.050e+2,
+    3.107e+2, 3.165e+2, 3.224e+2, 3.284e+2, 3.345e+2,
+    3.408e+2, 3.471e+2, 3.536e+2, 3.591e+2, 3.648e+2,
+    3.705e+2, 3.764e+2, 3.823e+2, 3.883e+2, 3.944e+2,
+    4.007e+2, 4.070e+2, 4.134e+2, 4.199e+2, 4.265e+2,
+    4.332e+2, 4.400e+2, 4.470e+2, 4.540e+2, 4.595e+2,
+    4.650e+2, 4.706e+2, 4.763e+2, 4.821e+2, 4.879e+2,
+    4.937e+2, 4.997e+2, 5.057e+2, 5.118e+2, 5.180e+2,
+    5.243e+2, 5.306e+2, 5.370e+2, 5.435e+2, 5.500e+2,
+    5.581e+2, 5.662e+2, 5.745e+2, 5.830e+2, 5.932e+2,
+    6.036e+2, 6.142e+2, 6.250e+2, 6.359e+2, 6.471e+2,
+    6.585e+2, 6.700e+2, 6.765e+2, 6.830e+2, 6.909e+2,
+    6.988e+2, 7.069e+2, 7.150e+2, 7.232e+2, 7.316e+2,
+    7.400e+2, 7.485e+2, 7.598e+2, 7.712e+2, 7.827e+2,
+    7.945e+2, 8.064e+2, 8.185e+2, 8.308e+2, 8.433e+2,
+    8.559e+2, 8.688e+2, 8.818e+2, 8.950e+2, 9.085e+2,
+    9.221e+2, 9.360e+2, 9.500e+2, 9.555e+2, 9.611e+2,
+    9.720e+2, 9.829e+2, 9.940e+2, 1.005e+3, 1.017e+3,
+    1.028e+3, 1.040e+3, 1.051e+3, 1.063e+3, 1.075e+3,
+    1.087e+3, 1.100e+3, 1.112e+3, 1.125e+3, 1.137e+3,
+    1.150e+3, 1.171e+3, 1.191e+3, 1.213e+3, 1.234e+3,
+    1.249e+3, 1.265e+3, 1.280e+3, 1.296e+3, 1.312e+3,
+    1.328e+3, 1.344e+3, 1.361e+3, 1.377e+3, 1.394e+3,
+    1.411e+3, 1.429e+3, 1.446e+3, 1.464e+3, 1.482e+3,
+    1.500e+3, 1.525e+3, 1.550e+3, 1.585e+3, 1.610e+3,
+    1.636e+3, 1.662e+3, 1.689e+3, 1.716e+3, 1.744e+3,
+    1.772e+3, 1.800e+3, 1.828e+3, 1.856e+3, 1.885e+3,
+    1.914e+3, 1.943e+3, 1.973e+3, 2.004e+3, 2.035e+3,
+    2.075e+3, 2.116e+3, 2.158e+3, 2.200e+3, 2.250e+3,
+    2.290e+3, 2.337e+3, 2.386e+3, 2.435e+3, 2.500e+3,
+    2.532e+3, 2.580e+3, 2.613e+3, 2.679e+3, 2.747e+3,
+    2.808e+3, 2.871e+3, 2.935e+3, 3.000e+3, 3.035e+3,
+    3.112e+3, 3.191e+3, 3.272e+3, 3.355e+3, 3.440e+3,
+    3.527e+3, 3.616e+3, 3.707e+3, 3.740e+3, 3.819e+3,
+    3.900e+3, 3.998e+3, 4.099e+3, 4.202e+3, 4.307e+3,
+    4.400e+3, 4.500e+3, 4.620e+3, 4.740e+3, 4.850e+3,
+    4.960e+3, 5.100e+3, 5.250e+3, 5.400e+3, 5.531e+3,
+    5.645e+3, 5.700e+3, 5.879e+3, 6.000e+3, 6.128e+3,
+    6.258e+3, 6.392e+3, 6.528e+3, 6.667e+3, 6.809e+3,
+    6.954e+3, 7.102e+3, 7.212e+3, 7.323e+3, 7.437e+3,
+    7.552e+3, 7.669e+3, 7.787e+3, 7.908e+3, 8.030e+3,
+    8.159e+3, 8.289e+3, 8.422e+3, 8.557e+3, 8.694e+3,
+    8.834e+3, 8.975e+3, 9.119e+3, 9.307e+3, 9.500e+3,
+    9.763e+3, 1.003e+4, 1.031e+4, 1.060e+4, 1.086e+4,
+    1.114e+4, 1.142e+4, 1.171e+4, 1.202e+4, 1.234e+4,
+    1.266e+4, 1.300e+4, 1.324e+4, 1.348e+4, 1.373e+4,
+    1.398e+4, 1.424e+4, 1.450e+4, 1.476e+4, 1.503e+4,
+    1.527e+4, 1.550e+4, 1.574e+4, 1.599e+4, 1.623e+4,
+    1.649e+4, 1.674e+4, 1.700e+4, 1.727e+4, 1.755e+4,
+    1.783e+4, 1.812e+4, 1.841e+4, 1.870e+4, 1.900e+4,
+    1.931e+4, 1.965e+4, 2.000e+4, 2.045e+4, 2.092e+4,
+    2.139e+4, 2.188e+4, 2.229e+4, 2.271e+4, 2.314e+4,
+    2.358e+4, 2.388e+4, 2.418e+4, 2.450e+4, 2.479e+4,
+    2.500e+4, 2.520e+4, 2.552e+4, 2.580e+4, 2.606e+4,
+    2.653e+4, 2.700e+4, 2.737e+4, 2.774e+4, 2.812e+4,
+    2.850e+4, 2.887e+4, 2.924e+4, 2.962e+4, 3.000e+4,
+    3.045e+4, 3.090e+4, 3.136e+4, 3.183e+4, 3.243e+4,
+    3.304e+4, 3.367e+4, 3.431e+4, 3.468e+4, 3.507e+4,
+    3.545e+4, 3.584e+4, 3.624e+4, 3.663e+4, 3.704e+4,
+    3.744e+4, 3.786e+4, 3.827e+4, 3.869e+4, 3.912e+4,
+    3.955e+4, 3.998e+4, 4.042e+4, 4.087e+4, 4.136e+4,
+    4.186e+4, 4.237e+4, 4.288e+4, 4.340e+4, 4.393e+4,
+    4.446e+4, 4.500e+4, 4.565e+4, 4.631e+4, 4.721e+4,
+    4.812e+4, 4.905e+4, 5.000e+4, 5.099e+4, 5.200e+4,
+    5.248e+4, 5.347e+4, 5.448e+4, 5.551e+4, 5.656e+4,
+    5.740e+4, 5.826e+4, 5.912e+4, 6.000e+4, 6.088e+4,
+    6.177e+4, 6.267e+4, 6.358e+4, 6.451e+4, 6.545e+4,
+    6.641e+4, 6.738e+4, 6.851e+4, 6.965e+4, 7.081e+4,
+    7.200e+4, 7.300e+4, 7.399e+4, 7.500e+4, 7.610e+4,
+    7.722e+4, 7.835e+4, 7.950e+4, 8.074e+4, 8.200e+4,
+    8.250e+4, 8.374e+4, 8.500e+4, 8.652e+4, 8.788e+4,
+    8.926e+4, 9.067e+4, 9.210e+4, 9.355e+4, 9.502e+4,
+    9.652e+4, 9.804e+4, 1.000e+5, 1.013e+5, 1.027e+5,
+    1.040e+5, 1.054e+5, 1.068e+5, 1.082e+5, 1.096e+5,
+    1.111e+5, 1.125e+5, 1.139e+5, 1.153e+5, 1.168e+5,
+    1.183e+5, 1.197e+5, 1.213e+5, 1.228e+5, 1.241e+5,
+    1.255e+5, 1.269e+5, 1.283e+5, 1.291e+5, 1.307e+5,
+    1.323e+5, 1.340e+5, 1.357e+5, 1.374e+5, 1.391e+5,
+    1.409e+5, 1.426e+5, 1.445e+5, 1.463e+5, 1.481e+5,
+    1.490e+5, 1.519e+5, 1.538e+5, 1.557e+5, 1.576e+5,
+    1.596e+5, 1.616e+5, 1.637e+5, 1.657e+5, 1.678e+5,
+    1.699e+5, 1.721e+5, 1.742e+5, 1.764e+5, 1.786e+5,
+    1.809e+5, 1.832e+5, 1.855e+5, 1.878e+5, 1.902e+5,
+    1.926e+5, 1.962e+5, 2.000e+5, 2.024e+5, 2.050e+5,
+    2.076e+5, 2.102e+5, 2.128e+5, 2.155e+5, 2.182e+5,
+    2.209e+5, 2.237e+5, 2.265e+5, 2.294e+5, 2.323e+5,
+    2.352e+5, 2.381e+5, 2.411e+5, 2.442e+5, 2.472e+5,
+    2.500e+5, 2.527e+5, 2.555e+5, 2.584e+5, 2.612e+5,
+    2.641e+5, 2.670e+5, 2.700e+5, 2.732e+5, 2.767e+5,
+    2.802e+5, 2.837e+5, 2.873e+5, 2.909e+5, 2.945e+5,
+    2.972e+5, 2.985e+5, 3.020e+5, 3.053e+5, 3.088e+5,
+    3.122e+5, 3.157e+5, 3.192e+5, 3.228e+5, 3.264e+5,
+    3.300e+5, 3.337e+5, 3.379e+5, 3.422e+5, 3.465e+5,
+    3.508e+5, 3.553e+5, 3.597e+5, 3.643e+5, 3.688e+5,
+    3.735e+5, 3.782e+5, 3.829e+5, 3.877e+5, 3.938e+5,
+    4.000e+5, 4.076e+5, 4.138e+5, 4.200e+5, 4.249e+5,
+    4.299e+5, 4.349e+5, 4.400e+5, 4.452e+5, 4.505e+5,
+    4.553e+5, 4.601e+5, 4.650e+5, 4.700e+5, 4.772e+5,
+    4.845e+5, 4.920e+5, 4.995e+5, 5.054e+5, 5.113e+5,
+    5.173e+5, 5.234e+5, 5.299e+5, 5.365e+5, 5.432e+5,
+    5.500e+5, 5.557e+5, 5.614e+5, 5.672e+5, 5.730e+5,
+    5.784e+5, 5.891e+5, 6.000e+5, 6.081e+5, 6.158e+5,
+    6.235e+5, 6.313e+5, 6.393e+5, 6.468e+5, 6.545e+5,
+    6.622e+5, 6.700e+5, 6.790e+5, 6.926e+5, 7.065e+5,
+    7.154e+5, 7.244e+5, 7.335e+5, 7.427e+5, 7.500e+5,
+    7.576e+5, 7.653e+5, 7.730e+5, 7.808e+5, 7.904e+5,
+    8.002e+5, 8.100e+5, 8.200e+5, 8.301e+5, 8.403e+5,
+    8.506e+5, 8.611e+5, 8.750e+5, 8.874e+5, 9.000e+5,
+    9.072e+5, 9.200e+5, 9.400e+5, 9.616e+5, 9.800e+5,
+    1.003e+6, 1.010e+6, 1.040e+6, 1.070e+6, 1.100e+6,
+    1.108e+6, 1.136e+6, 1.165e+6, 1.200e+6, 1.225e+6,
+    1.250e+6, 1.287e+6, 1.317e+6, 1.356e+6, 1.400e+6,
+    1.423e+6, 1.461e+6, 1.500e+6, 1.536e+6, 1.572e+6,
+    1.612e+6, 1.653e+6, 1.695e+6, 1.738e+6, 1.782e+6,
+    1.827e+6, 1.850e+6, 1.921e+6, 1.969e+6, 2.019e+6,
+    2.070e+6, 2.123e+6, 2.176e+6, 2.231e+6, 2.307e+6,
+    2.354e+6, 2.365e+6, 2.385e+6, 2.466e+6, 2.479e+6,
+    2.535e+6, 2.592e+6, 2.658e+6, 2.725e+6, 2.794e+6,
+    2.865e+6, 2.932e+6, 3.000e+6, 3.080e+6, 3.166e+6,
+    3.247e+6, 3.329e+6, 3.413e+6, 3.499e+6, 3.588e+6,
+    3.679e+6, 3.772e+6, 3.867e+6, 3.965e+6, 4.066e+6,
+    4.183e+6, 4.304e+6, 4.398e+6, 4.493e+6, 4.607e+6,
+    4.724e+6, 4.800e+6, 4.882e+6, 4.966e+6, 5.092e+6,
+    5.221e+6, 5.353e+6, 5.488e+6, 5.627e+6, 5.770e+6,
+    5.916e+6, 6.065e+6, 6.219e+6, 6.376e+6, 6.434e+6,
+    6.592e+6, 6.703e+6, 6.873e+6, 7.047e+6, 7.225e+6,
+    7.408e+6, 7.596e+6, 7.788e+6, 7.985e+6, 8.187e+6,
+    8.395e+6, 8.607e+6, 8.825e+6, 9.048e+6, 9.278e+6,
+    9.512e+6, 9.753e+6, 1.000e+7, 1.025e+7, 1.051e+7,
+    1.078e+7, 1.105e+7, 1.133e+7, 1.162e+7, 1.191e+7,
+    1.221e+7, 1.252e+7, 1.284e+7, 1.317e+7, 1.350e+7,
+    1.384e+7, 1.419e+7, 1.455e+7, 1.492e+7, 1.530e+7,
+    1.568e+7, 1.608e+7, 1.649e+7, 1.691e+7, 1.733e+7,
+    1.790e+7, 1.845e+7, 1.900e+7, 1.964e+7, 2.000e+7])
 GROUP_STRUCTURES['UKAEA-1102'] = np.array([
     1.0000e-5, 1.0471e-5, 1.0965e-5, 1.1482e-5, 1.2023e-5,
     1.2589e-5, 1.3183e-5, 1.3804e-5, 1.4454e-5, 1.5136e-5,

From 8cd3911cbe0fa277b889effa1c5c1566b0683f55 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Wed, 12 Nov 2025 00:01:18 -0600
Subject: [PATCH 2427/2654] Reset DAGMC history when reviving from source.
 (#3601)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 src/particle.cpp                              |   3 +
 .../weightwindows/dagmc/__init__.py           |   0
 .../dagmc/nested_shell_geometry.h5m           | Bin 0 -> 58680 bytes
 tests/unit_tests/weightwindows/dagmc/test.py  |  98 ++++++++++++++++++
 4 files changed, 101 insertions(+)
 create mode 100644 tests/unit_tests/weightwindows/dagmc/__init__.py
 create mode 100644 tests/unit_tests/weightwindows/dagmc/nested_shell_geometry.h5m
 create mode 100644 tests/unit_tests/weightwindows/dagmc/test.py

diff --git a/src/particle.cpp b/src/particle.cpp
index 6b4c332a8..6ba8ebf12 100644
--- a/src/particle.cpp
+++ b/src/particle.cpp
@@ -121,6 +121,9 @@ void Particle::from_source(const SourceSite* src)
   fission() = false;
   zero_flux_derivs();
   lifetime() = 0.0;
+#ifdef OPENMC_DAGMC_ENABLED
+  history().reset();
+#endif
 
   // Copy attributes from source bank site
   type() = src->particle;
diff --git a/tests/unit_tests/weightwindows/dagmc/__init__.py b/tests/unit_tests/weightwindows/dagmc/__init__.py
new file mode 100644
index 000000000..e69de29bb
diff --git a/tests/unit_tests/weightwindows/dagmc/nested_shell_geometry.h5m b/tests/unit_tests/weightwindows/dagmc/nested_shell_geometry.h5m
new file mode 100644
index 0000000000000000000000000000000000000000..af1d5563d9255b518d42b551b7527cdf45eeaaf3
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zLF8%v2?3PmpWugL^G}H@=6BbR6|r%wc9P1!SN4<k33oR2F5lJG+R>r>Wx>mLceS@z
ZKJ@mkzRs4Wo;}NVH#PV5?Swso{}1hu%5MMw

literal 0
HcmV?d00001

diff --git a/tests/unit_tests/weightwindows/dagmc/test.py b/tests/unit_tests/weightwindows/dagmc/test.py
new file mode 100644
index 000000000..ed01a93ed
--- /dev/null
+++ b/tests/unit_tests/weightwindows/dagmc/test.py
@@ -0,0 +1,98 @@
+import pytest
+
+import openmc
+import openmc.lib
+
+pytestmark = pytest.mark.skipif(
+    not openmc.lib._dagmc_enabled(),
+    reason="DAGMC CAD geometry is not enabled.",
+)
+
+
+def test_dagmc_weight_windows_near_boundary(run_in_tmpdir, request):
+    """Ensure splitting near a boundary doesn't lose particles due to
+    a stale DAGMC history on the particle object."""
+
+    # DAGMC model overview:
+    # * Three nested cubes; innermost cube contains a fusion neutron source.
+    # * Two outer cubes filled with tungsten. Weight windows defined on a mesh
+    # cause particles to split moving outward.
+    # Outer cubes are similar in size (outer slightly larger) so particles
+    # frequently cross the problem boundary immediately after splitting. No lost
+    # particles are allowed to the correct DAGMC history after splitting is used.
+    model = openmc.Model()
+
+    dagmc_file = request.path.parent / 'nested_shell_geometry.h5m'
+    dagmc_univ = openmc.DAGMCUniverse(dagmc_file)
+    model.geometry = openmc.Geometry(dagmc_univ)
+
+    tungsten = openmc.Material(name='shell')
+    tungsten.add_element('W', 1.0)
+    tungsten.set_density('g/cm3', 7.8)
+    materials = openmc.Materials([tungsten])
+    model.materials = materials
+
+    settings = openmc.Settings()
+    settings.output = {'tallies': False, 'summary': False}
+
+    source = openmc.IndependentSource()
+    source.space = openmc.stats.Point((0.0, 0.0, 0.0))
+    source.angle = openmc.stats.Isotropic()
+    source.energy = openmc.stats.Discrete([14.1e6], [1.0])
+    settings.source = source
+
+    settings.batches = 2
+    settings.particles = 500
+    settings.run_mode = 'fixed source'
+    settings.survival_biasing = False
+    settings.max_lost_particles = 1
+    settings.max_history_splits = 10_000_000
+
+    settings.weight_window_checkpoints = {
+        'surface': True,
+        'collision': True,
+    }
+
+    mesh = openmc.RegularMesh()
+    mesh.lower_left = (-60.0, -60.0, -60.0)
+    mesh.upper_right = (60.0, 60.0, 60.0)
+    mesh.dimension = (24, 1, 1)
+
+    weight_windows_lower = [
+        0.030750733294361156,
+        0.056110505674355333,
+        0.08187875047968339,
+        0.1101743496347699,
+        0.13982370013053508,
+        0.17443799246829372,
+        0.21576286623367483,
+        0.26416659508033646,
+        0.318574932646899,
+        0.3804031702117963,
+        0.42899359749256355,
+        0.4954283294279403,
+        0.49999999999999994,
+        0.43432341070872266,
+        0.38302303850488206,
+        0.32148375935490886,
+        0.2637416945702018,
+        0.21498369367288853,
+        0.17163611765361744,
+        0.13832102142074995,
+        0.10717772257151495,
+        0.07986176041282561,
+        0.05499644859408233,
+        0.03058023506703803,
+    ]
+
+    weight_windows = openmc.WeightWindows(
+        mesh,
+        lower_ww_bounds=weight_windows_lower,
+        upper_bound_ratio=5.0,
+    )
+    weight_windows.max_lower_bound_ratio = 1.0
+    settings.weight_windows = weight_windows
+    settings.weight_windows_on = True
+    model.settings = settings
+
+    model.run()
\ No newline at end of file

From 5c2bfe771eb94c759923c63be5ba3eb01a6b3ec9 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Wed, 12 Nov 2025 00:29:19 -0600
Subject: [PATCH 2428/2654] Write particle states as separate lines in track
 VTK files. (#3628)

---
 openmc/tracks.py | 18 +++++++++---------
 1 file changed, 9 insertions(+), 9 deletions(-)

diff --git a/openmc/tracks.py b/openmc/tracks.py
index 61e5a7244..81646e7d2 100644
--- a/openmc/tracks.py
+++ b/openmc/tracks.py
@@ -296,16 +296,16 @@ class Tracks(list):
                 for state in pt.states:
                     points.InsertNextPoint(state['r'])
 
-            # Create VTK line and assign points to line.
-            n = pt.states.size
-            line = vtk.vtkPolyLine()
-            line.GetPointIds().SetNumberOfIds(n)
-            for i in range(n):
-                line.GetPointIds().SetId(i, point_offset + i)
-            point_offset += n
+                # Create VTK line and assign points to line.
+                n = pt.states.size
+                line = vtk.vtkPolyLine()
+                line.GetPointIds().SetNumberOfIds(n)
+                for i in range(n):
+                    line.GetPointIds().SetId(i, point_offset + i)
+                point_offset += n
 
-            # Add line to cell array
-            cells.InsertNextCell(line)
+                # Add line to cell array
+                cells.InsertNextCell(line)
 
         data = vtk.vtkPolyData()
         data.SetPoints(points)

From e5348d3f62a821f84513a026977eef0f8bef01ad Mon Sep 17 00:00:00 2001
From: Marco De Pietri <marco.deppo@hotmail.it>
Date: Wed, 12 Nov 2025 05:35:07 -0500
Subject: [PATCH 2429/2654] Avoid divide-by-zero in `from_multigroup_flux` when
 flux is zero (#3624)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/deplete/microxs.py                | 12 ++++++++----
 tests/unit_tests/test_deplete_microxs.py | 13 +++++++++++++
 2 files changed, 21 insertions(+), 4 deletions(-)

diff --git a/openmc/deplete/microxs.py b/openmc/deplete/microxs.py
index e351c923d..d7624955e 100644
--- a/openmc/deplete/microxs.py
+++ b/openmc/deplete/microxs.py
@@ -356,13 +356,17 @@ class MicroXS:
             reactions = chain.reactions
         mts = [REACTION_MT[name] for name in reactions]
 
-        # Normalize multigroup flux
-        multigroup_flux = np.array(multigroup_flux)
-        multigroup_flux /= multigroup_flux.sum()
-
         # Create 3D array for microscopic cross sections
         microxs_arr = np.zeros((len(nuclides), len(mts), 1))
 
+        # If flux is zero, safely return zero cross sections
+        multigroup_flux = np.array(multigroup_flux)
+        if (flux_sum := multigroup_flux.sum()) == 0.0:
+            return cls(microxs_arr, nuclides, reactions)
+
+        # Normalize multigroup flux
+        multigroup_flux /= flux_sum
+
         # Compute microscopic cross sections within a temporary session
         with openmc.lib.TemporarySession(**init_kwargs):
             # For each nuclide and reaction, compute the flux-averaged xs
diff --git a/tests/unit_tests/test_deplete_microxs.py b/tests/unit_tests/test_deplete_microxs.py
index 073b3f162..5762a8511 100644
--- a/tests/unit_tests/test_deplete_microxs.py
+++ b/tests/unit_tests/test_deplete_microxs.py
@@ -111,3 +111,16 @@ def test_multigroup_flux_same():
         energies=energies, multigroup_flux=flux, chain_file=chain_file)
 
     assert microxs_4g.data == pytest.approx(microxs_2g.data)
+
+
+def test_microxs_zero_flux():
+    chain_file = Path(__file__).parents[1] / 'chain_simple.xml'
+
+    # Generate micro XS based on zero flux
+    energies = [0., 6.25e-1, 5.53e3, 8.21e5, 2.e7]
+    flux = [0.0, 0.0, 0.0, 0.0]
+    microxs = MicroXS.from_multigroup_flux(
+        energies=energies, multigroup_flux=flux, chain_file=chain_file)
+
+    # All microscopic cross sections should be zero
+    assert np.all(microxs.data == 0.0)

From 2d77544b0c045f7e693146dc466e5cc290fbdc49 Mon Sep 17 00:00:00 2001
From: Gregoire Biot <grego01@mit.edu>
Date: Wed, 12 Nov 2025 11:41:37 -0500
Subject: [PATCH 2430/2654] Adding variance of variance and normality tests for
 tally statistics (#3454)

Co-authored-by: Ethan Peterson <eepeterson3@gmail.com>
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 docs/source/io_formats/statepoint.rst |   2 +
 docs/source/methods/tallies.rst       | 107 +++++-
 include/openmc/constants.h            |   2 +-
 include/openmc/hdf5_interface.h       |  10 +-
 include/openmc/tallies/tally.h        |   5 +
 openmc/statepoint.py                  |   4 +
 openmc/tallies.py                     | 524 +++++++++++++++++++++++++-
 src/hdf5_interface.cpp                |  16 +-
 src/state_point.cpp                   |  17 +-
 src/tallies/tally.cpp                 |  42 ++-
 src/weight_windows.cpp                |   8 +-
 tests/unit_tests/test_tallies.py      | 213 +++++++++++
 12 files changed, 915 insertions(+), 35 deletions(-)

diff --git a/docs/source/io_formats/statepoint.rst b/docs/source/io_formats/statepoint.rst
index 3b1031769..2309643dc 100644
--- a/docs/source/io_formats/statepoint.rst
+++ b/docs/source/io_formats/statepoint.rst
@@ -149,6 +149,8 @@ The current version of the statepoint file format is 18.1.
                tallies will have a value of 0 unless otherwise instructed.
              - **multiply_density** (*int*) -- Flag indicating whether reaction
                rates should be multiplied by atom density (1) or not (0).
+             - **higher_moments** (*int*) -- Flag indicating whether
+               higher-order tally moments are enabled (1) or not (0).
 
 :Datasets: - **n_realizations** (*int*) -- Number of realizations.
            - **n_filters** (*int*) -- Number of filters used.
diff --git a/docs/source/methods/tallies.rst b/docs/source/methods/tallies.rst
index 79a63fbdd..27a3f873a 100644
--- a/docs/source/methods/tallies.rst
+++ b/docs/source/methods/tallies.rst
@@ -387,6 +387,101 @@ of this is that the longer you run a simulation, the better you know your
 results. Therefore, by running a simulation long enough, it is possible to
 reduce the stochastic uncertainty to arbitrarily low levels.
 
+Skewness
+++++++++
+
+The `skewness`_ of a population quantifies the asymmetry of the probability
+distribution around its mean. Positive and negative skewness indicate a
+longer/heavier right and left tail respectively. Let :math:`x_1,\ldots,x_n` be
+the per-realization values for a bin, with sample mean :math:`\bar{x}` and
+sample central moments:
+
+.. math::
+
+   m_k \;=\; \frac{1}{n}\sum_{i=1}^{n}\bigl(x_i-\bar{x}\bigr)^k.
+
+OpenMC reports the *adjusted Fisher-Pearson skewness* (defined for :math:`n \ge
+3`), which is commonly used in many statistical packages:
+
+.. math::
+
+   G_1 \;=\; \frac{\sqrt{n \cdot (n-1)}}{\,n-2\,}\cdot\frac{m_3}{m_2^{3/2}}.
+
+where :math:`m_2` and :math:`m_3` correspond to the biased sample second and
+third central moment respectively.
+
+Kurtosis
+++++++++
+
+The `kurtosis`_ of a population quantifies tail weight (also called tailedness)
+of the probability distribution relative to a normal distribution. Positive
+excess kurtosis indicates *heavier tails* whereas negative excess kurtosis
+indicates *lighter tails*. Kurtosis is especially useful for identifying bins
+where occasional extreme scores dominate uncertainty. OpenMC reports the
+*adjusted excess kurtosis* (defined for :math:`n \ge 4`):
+
+.. math::
+
+   G_2 \;=\; \frac{(n-1)}{(n-2)(n-3)}
+             \left[(n+1)\,\frac{m_4}{m_2^{2}} \;-\; 3(n-1)\right].
+
+where :math:`m_2` and :math:`m_4` correspond to the biased sample second and
+fourth central moment respectively. For a perfectly normal distribution, the
+excess kurtosis is :math:`0`.
+
+Variance of Variance
+++++++++++++++++++++
+
+The variance of the variance (also known as the coefficient of variation
+squared) measures *stability of the sample variance* :math:`s^2` and, by
+extension, the reliability of reported relative errors. High VOV means that
+error bars themselves are noisy—often due to heavy tails, skewness, or too few
+realizations.
+
+.. math::
+
+    VOV = \frac{s^2(s_{\bar{X}}^2)}{s_{\bar{X}}^4 } = \frac{m_4}{m_2^2} - \frac{1}{n}
+
+where :math:`s_{\bar{X}}^2` is the estimated variance of the mean and
+:math:`s^2(s_{\bar{X}}^2)` is the estimated variance in :math:`s_{\bar{X}}^2`.
+The MCNP manual suggests a hard threshold such that :math:`VOV < 0.1` to improve
+the probability of forming a reliable confidence interval. However, OpenMC does
+not enforce an universal cut-off because the suitability of any single threshold
+depends strongly on problem specifics (estimator choice, variance-reduction
+settings, tally binning, or even effective sample size).
+
+
+Normality Tests (D'Agostino-Pearson)
+++++++++++++++++++++++++++++++++++++
+
+These normality test verify the hypothesis that fluctuations are *approximately
+normal*, a working assumption behind many Monte Carlo diagnostics and
+`confidence-interval heuristics`_. Tests are provided for: (i) skewness-only,
+(ii) kurtosis-only, and (iii) the *omnibus* combination. OpenMC uses the
+finite-sample-adjusted skewness :math:`G_1` and excess kurtosis :math:`G_2`
+above to construct standardized normal scores :math:`Z_1` (from :math:`G_1`) and
+:math:`Z_2` (from :math:`G_2`) via the D'Agostino-Pearson transformations. The
+omnibus statistic is
+
+.. math::
+
+   K^2 \;=\; Z_1^{\,2} \;+\; Z_2^{\,2}
+   \;\sim\; \chi^2_{(2)} \quad \text{under } H_0:\ \text{normality}.
+
+OpenMC reports :math:`Z_1`, :math:`Z_2`, :math:`K^2`, and their p-values when
+prerequisites are met (skewness for :math:`n\ge 3`, kurtosis and omnibus for
+:math:`n\ge 4`). Given a user-chosen significance level :math:`\alpha` (default
+is :math:`0.05`), reject :math:`H_0` if :math:`\text{p-value}<\alpha`; otherwise
+fail to reject. OpenMC leaves the interpretation to the user, who should
+consider VOV together with skewness, kurtosis, and normality tests results when
+judging whether reported confidence intervals are credible for their application
+[#norm-tests]_.
+
+.. [#norm-tests]
+   Higher-moments accumulation must be enabled with ``higher_moments = True``
+   for running these diagnostics including the skewness, kurtosis, and normality
+   tests.
+
 Figure of Merit
 +++++++++++++++
 
@@ -405,14 +500,16 @@ defined as
 .. math::
     :label: relative_error
 
-    r = \frac{s_\bar{X}}{\bar{x}}.
+    r = \frac{s_{\bar{X}}}{\bar{x}}.
 
 Based on this definition, one can see that a higher FOM is desirable. The FOM is
 useful as a comparative tool. For example, if a variance reduction technique is
 being applied to a simulation, the FOM with variance reduction can be compared
 to the FOM without variance reduction to ascertain whether the reduction in
 variance outweighs the potential increase in execution time (e.g., due to
-particle splitting).
+particle splitting). It is important to note that MCNP reports the FOM using CPU
+time (wall-clock time multiplied by the number of threads/cores), whereas OpenMC
+reports the FOM using only the wall-clock time :math:`t`.
 
 Confidence Intervals
 ++++++++++++++++++++
@@ -521,6 +618,8 @@ improve the estimate of the percentile.
 
    .. rubric:: References
 
+.. _confidence-interval heuristics: https://doi.org/10.1080/00031305.1990.10475751
+
 .. _following approximation: https://doi.org/10.1080/03610918708812641
 
 .. _Bessel's correction: https://en.wikipedia.org/wiki/Bessel's_correction
@@ -541,6 +640,10 @@ improve the estimate of the percentile.
 
 .. _converges in distribution: https://en.wikipedia.org/wiki/Convergence_of_random_variables#Convergence_in_distribution
 
+.. _skewness: https://en.wikipedia.org/wiki/Skewness
+
+.. _kurtosis: https://en.wikipedia.org/wiki/Kurtosis
+
 .. _confidence intervals: https://en.wikipedia.org/wiki/Confidence_interval
 
 .. _Student's t-distribution: https://en.wikipedia.org/wiki/Student%27s_t-distribution
diff --git a/include/openmc/constants.h b/include/openmc/constants.h
index a0d164613..b66193481 100644
--- a/include/openmc/constants.h
+++ b/include/openmc/constants.h
@@ -291,7 +291,7 @@ enum class MgxsType {
 // ============================================================================
 // TALLY-RELATED CONSTANTS
 
-enum class TallyResult { VALUE, SUM, SUM_SQ, SIZE };
+enum class TallyResult { VALUE, SUM, SUM_SQ, SUM_THIRD, SUM_FOURTH };
 
 enum class TallyType { VOLUME, MESH_SURFACE, SURFACE, PULSE_HEIGHT };
 
diff --git a/include/openmc/hdf5_interface.h b/include/openmc/hdf5_interface.h
index 0092c08f8..28b0d2b11 100644
--- a/include/openmc/hdf5_interface.h
+++ b/include/openmc/hdf5_interface.h
@@ -100,8 +100,8 @@ void read_llong(hid_t obj_id, const char* name, long long* buffer, bool indep);
 void read_string(
   hid_t obj_id, const char* name, size_t slen, char* buffer, bool indep);
 
-void read_tally_results(
-  hid_t group_id, hsize_t n_filter, hsize_t n_score, double* results);
+void read_tally_results(hid_t group_id, hsize_t n_filter, hsize_t n_score,
+  hsize_t n_results, double* results);
 void write_attr_double(hid_t obj_id, int ndim, const hsize_t* dims,
   const char* name, const double* buffer);
 void write_attr_int(hid_t obj_id, int ndim, const hsize_t* dims,
@@ -114,9 +114,9 @@ void write_int(hid_t group_id, int ndim, const hsize_t* dims, const char* name,
 void write_llong(hid_t group_id, int ndim, const hsize_t* dims,
   const char* name, const long long* buffer, bool indep);
 void write_string(hid_t group_id, int ndim, const hsize_t* dims, size_t slen,
-  const char* name, char const* buffer, bool indep);
-void write_tally_results(
-  hid_t group_id, hsize_t n_filter, hsize_t n_score, const double* results);
+  const char* name, const char* buffer, bool indep);
+void write_tally_results(hid_t group_id, hsize_t n_filter, hsize_t n_score,
+  hsize_t n_results, const double* results);
 } // extern "C"
 
 //==============================================================================
diff --git a/include/openmc/tallies/tally.h b/include/openmc/tallies/tally.h
index 3beeb9d5a..374daff92 100644
--- a/include/openmc/tallies/tally.h
+++ b/include/openmc/tallies/tally.h
@@ -106,6 +106,8 @@ public:
 
   bool writable() const { return writable_; }
 
+  bool higher_moments() const { return higher_moments_; }
+
   //----------------------------------------------------------------------------
   // Other methods.
 
@@ -190,6 +192,9 @@ private:
   //! Whether to multiply by atom density for reaction rates
   bool multiply_density_ {true};
 
+  //! Whether to accumulate higher moments (third and fourth)
+  bool higher_moments_ {false};
+
   int64_t index_;
 };
 
diff --git a/openmc/statepoint.py b/openmc/statepoint.py
index a763db397..11986841f 100644
--- a/openmc/statepoint.py
+++ b/openmc/statepoint.py
@@ -434,6 +434,10 @@ class StatePoint:
                     if "multiply_density" in group.attrs:
                         tally.multiply_density = group.attrs["multiply_density"].item() > 0
 
+                    # Check if tally has higher_moments attribute
+                    if 'higher_moments' in group.attrs:
+                        tally.higher_moments = bool(group.attrs['higher_moments'][()])
+
                     # Read the number of realizations
                     n_realizations = group['n_realizations'][()]
 
diff --git a/openmc/tallies.py b/openmc/tallies.py
index 075b1e991..25ec29a58 100644
--- a/openmc/tallies.py
+++ b/openmc/tallies.py
@@ -3,6 +3,7 @@ from collections.abc import Iterable, MutableSequence
 import copy
 from functools import partial, reduce, wraps
 from itertools import product
+from math import sqrt, log
 from numbers import Integral, Real
 import operator
 from pathlib import Path
@@ -12,6 +13,7 @@ import h5py
 import numpy as np
 import pandas as pd
 import scipy.sparse as sps
+from scipy.stats import chi2, norm
 
 import openmc
 import openmc.checkvalue as cv
@@ -91,10 +93,20 @@ class Tally(IDManagerMixin):
     sum_sq : numpy.ndarray
         An array containing the sum of each independent realization squared for
         each bin
+    sum_third : numpy.ndarray
+        An array containing the sum of each independent realization to the third power for
+        each bin
+    sum_fourth : numpy.ndarray
+        An array containing the sum of each independent realization to the fourth power for
+        each bin
     mean : numpy.ndarray
         An array containing the sample mean for each bin
     std_dev : numpy.ndarray
         An array containing the sample standard deviation for each bin
+    vov : numpy.ndarray
+        An array containing the variance of the variance for each tally bin
+    higher_moments : bool
+        Whether or not the tally accumulates the sums third and fourth to compute higher-order moments
     figure_of_merit : numpy.ndarray
         An array containing the figure of merit for each bin
 
@@ -129,8 +141,12 @@ class Tally(IDManagerMixin):
 
         self._sum = None
         self._sum_sq = None
+        self._sum_third = None
+        self._sum_fourth = None
         self._mean = None
         self._std_dev = None
+        self._vov = None
+        self._higher_moments = False
         self._simulation_time = None
         self._with_batch_statistics = False
         self._derived = False
@@ -221,6 +237,15 @@ class Tally(IDManagerMixin):
         cv.check_type('multiply density', value, bool)
         self._multiply_density = value
 
+    @property
+    def higher_moments(self) -> bool:
+        return self._higher_moments
+
+    @higher_moments.setter
+    def higher_moments(self, value):
+        cv.check_type("higher_moments", value, bool)
+        self._higher_moments = value
+
     @property
     def filters(self):
         return self._filters
@@ -371,6 +396,11 @@ class Tally(IDManagerMixin):
             # Update nuclides
             nuclide_names = group['nuclides'][()]
             self._nuclides = [name.decode().strip() for name in nuclide_names]
+            # Check for higher_moments attribute
+            if "higher_moments" in group.attrs:
+                self._higher_moments = bool(group.attrs["higher_moments"][()])
+            else:
+                self._higher_moments = False
 
             # Extract Tally data from the file
             data = group['results']
@@ -385,10 +415,25 @@ class Tally(IDManagerMixin):
             self._sum = sum_
             self._sum_sq = sum_sq
 
+            if self._higher_moments:
+                # Extract additional Tally data when higher moments enabled
+                sum_third = data[:, :, 2]
+                sum_fourth = data[:, :, 3]
+
+                # Reshape the results arrays
+                sum_third = np.reshape(sum_third, self.shape)
+                sum_fourth = np.reshape(sum_fourth, self.shape)
+
+                # Set the additional data for this Tally
+                self._sum_third = sum_third
+                self._sum_fourth = sum_fourth
+
             # Convert NumPy arrays to SciPy sparse LIL matrices
             if self.sparse:
                 self._sum = sps.lil_matrix(self._sum.flatten(), self._sum.shape)
                 self._sum_sq = sps.lil_matrix(self._sum_sq.flatten(), self._sum_sq.shape)
+                self._sum_third = sps.lil_matrix(self._sum_third.flatten(), self._sum_third.shape)
+                self._sum_fourth = sps.lil_matrix(self.sum_fourth.flatten(), self._sum_fourth.shape)
 
             # Read simulation time (needed for figure of merit)
             self._simulation_time = f["runtime"]["simulation"][()]
@@ -428,6 +473,52 @@ class Tally(IDManagerMixin):
         cv.check_type('sum_sq', sum_sq, Iterable)
         self._sum_sq = sum_sq
 
+    @property
+    @ensure_results
+    def sum_third(self):
+        if not self._higher_moments:
+            raise ValueError(
+                "Higher moments have not been enabled for this tally. To make "
+                "higher moments available, set the higher_moments attribute to "
+                "True before running a simulation."
+            )
+
+        if not self._sp_filename or self.derived:
+            return None
+
+        if self.sparse:
+            return np.reshape(self._sum_third.toarray(), self.shape)
+        else:
+            return self._sum_third
+
+    @sum_third.setter
+    def sum_third(self, sum_third):
+        cv.check_type("sum_third", sum_third, Iterable)
+        self._sum_third = sum_third
+
+    @property
+    @ensure_results
+    def sum_fourth(self):
+        if not self._higher_moments:
+            raise ValueError(
+                "Higher moments have not been enabled for this tally. To make "
+                "higher moments available, set the higher_moments attribute to "
+                "True before running a simulation."
+            )
+
+        if not self._sp_filename or self.derived:
+            return None
+
+        if self.sparse:
+            return np.reshape(self._sum_fourth.toarray(), self.shape)
+        else:
+            return self._sum_fourth
+
+    @sum_fourth.setter
+    def sum_fourth(self, sum_fourth):
+        cv.check_type("sum_fourth", sum_fourth, Iterable)
+        self._sum_fourth = sum_fourth
+
     @property
     def mean(self):
         if self._mean is None:
@@ -470,14 +561,370 @@ class Tally(IDManagerMixin):
         else:
             return self._std_dev
 
+    @property
+    def vov(self):
+        if self._vov is None:
+            n = self.num_realizations
+            sum1 = self.sum
+            sum2 = self.sum_sq
+            sum3 = self.sum_third
+            sum4 = self.sum_fourth
+            self._vov = np.zeros_like(sum1, dtype=float)
+
+            # Calculate the variance of the variance (Eq. 2.232 in
+            # https://doi.org/10.2172/2372634)
+            numerator = (sum4 - (4.0*sum3*sum1)/n
+                        + (6.0*sum2*(sum1**2))/(n**2)
+                        - (3.0*(sum1)**4)/(n**3))
+            denominator = (sum2 - (1.0/n)*(sum1**2))**2
+
+            mask = denominator > 0.0
+
+            self._vov[mask] = numerator[mask]/denominator[mask] - 1.0/n
+
+            if self.sparse:
+                self._vov = sps.lil_matrix(self._vov.flatten(), self._vov.shape)
+
+        if self.sparse:
+            return np.reshape(self._vov.toarray(), self.shape)
+        else:
+            return self._vov
+
+    @property
+    def m2(self):
+        n = self.num_realizations
+        return self.sum_sq/n - self.mean**2
+
+    @property
+    def m3(self):
+        n = self.num_realizations
+        mean = self.mean
+        sum2 = self.sum_sq/n
+        sum3 = self.sum_third/n
+
+        return sum3 - 3.0*mean*sum2 + 2.0*mean**3
+
+    @property
+    def m4(self):
+        n = self.num_realizations
+        mean = self.mean
+        sum2 = self.sum_sq/n
+        sum3 = self.sum_third/n
+        sum4 = self.sum_fourth/n
+
+        return sum4 - 4.0*mean*sum3 + 6.0*(mean**2)*sum2 - 3.0*mean**4
+
+    def skew(self, bias=False) -> np.ndarray:
+        """Return the sample skewness of each tally bin.
+
+        This method computes and returns the unadjusted or adjusted
+        Fisher-Pearson coefficient of skewness.
+
+        Parameters
+        ----------
+        bias : bool
+            If False, calculations are corrected for bias and the adjusted
+            Fisher-Pearson skewness (:math:`G_1`) is returned. If True,
+            calculations are not corrected for bias and the unadjusted skewness
+            (:math:`g_1`) is returned.
+
+        Returns
+        -------
+        float
+            The skewness of each tally bin
+        """
+        n = self.num_realizations
+        m2 = self.m2
+        m3 = self.m3
+
+        with np.errstate(divide="ignore", invalid="ignore"):
+            g1 = np.where(m2 > 0.0, m3/(m2**1.5), 0.0)
+
+        if bias:
+            return g1
+        else:
+            if n <= 2:
+                raise ValueError("Insufficient number of independent realizations"
+                                 f"for bias-corrected skewness: need n >= 3, got {n=}.")
+            else:
+                return sqrt(n*(n - 1))/(n - 2)*g1
+
+    def kurtosis(self, fisher=True, bias=False) -> np.ndarray:
+        r"""Return the sample kurtosis of each tally bin.
+
+        This method computes and returns the sample kurtosis using either
+        Pearson's or Fisher's definition, with or without finite-sample bias
+        correction. The value returned depends on the `bias` and `fisher`
+        arguments as follows:
+
+        - **bias=True, fisher=False**: Returns :math:`b_2` (Pearson's kurtosis)
+          This is the raw fourth standardized moment: :math:`m_4/m_2^2`. For a
+          normal distribution, :math:`b_2\approx 3`.
+
+        - **bias=True, fisher=True**: Returns :math:`g_2` (excess kurtosis) This
+          is :math:`b_2 - 3`, centered at 0 for normal distributions. Positive
+          values indicate heavier tails, negative values lighter tails.
+
+        - **bias=False, fisher=True** (default): Returns :math:`G_2` (adjusted
+          excess kurtosis). This applies finite-sample bias correction to
+          :math:`g_2`. This is the recommended estimator for statistical
+          inference.
+
+        - **bias=False, fisher=False**: Returns bias-corrected Pearson's
+          kurtosis. This is :math:`G_2 + 3`.
+
+        Parameters
+        ----------
+        fisher : bool, optional
+            If True (default), Fisher's definition is used (excess kurtosis). If
+            False, Pearson's definition is used.
+        bias : bool, optional
+            If False (default), calculations are corrected for statistical bias
+            using finite-sample adjustments. If True, calculations use the
+            biased estimator (population formulas).
+
+        Returns
+        -------
+        numpy.ndarray
+            The kurtosis of each tally bin
+
+        """
+        n = self.num_realizations
+        m2 = self.m2
+        m4 = self.m4
+
+        with np.errstate(divide="ignore", invalid="ignore"):
+            b2 = np.where(m2 > 0.0, m4/(m2**2), 0.0)
+        g2 = b2 - 3.0
+
+        if bias:
+            # Biased estimator (g2 or b2)
+            return g2 if fisher else b2
+        else:
+            # Unbiased estimator with finite-sample correction
+            if n <= 3:
+                raise ValueError("Insufficient number of independent realizations"
+                                 f"for bias-corrected kurtosis: need n >= 4, got {n=}.")
+            else:
+                G2 = ((n - 1)/((n - 2)*(n - 3)))*((n + 1)*g2 + 6.0)
+                return G2 if fisher else G2 + 3.0
+
+    def skewtest(self, alternative: str = "two-sided"):
+        """Perform D'Agostino and Pearson's test for skewness.
+
+        This method tests the null hypothesis that the skewness of the
+        population that the sample was drawn from is the same as that of a
+        corresponding normal distribution.
+
+        Parameters
+        ----------
+        alternative : {'two-sided', 'less', 'greater'}, optional
+            Defines the alternative hypothesis. The following options are
+            available:
+
+            * 'two-sided': the skewness of the distribution is different from
+              that of the normal distribution (i.e., non-zero)
+            * 'less': the skewness of the distribution is less than that of the
+              normal distribution
+            * 'greater': the skewness of the distribution is greater than that
+              of the normal distribution
+
+        Returns
+        -------
+        statistic : np.ndarray
+            The computed z-score for the skewness test for each tally bin
+        pvalue : np.ndarray
+            The p-value for the hypothesis test for each tally bin
+
+        Notes
+        -----
+        This test is based on D'Agostino and Pearson's test [1]_. The test
+        requires at least 8 realizations to produce valid results.
+
+        References
+        ----------
+        .. [1] D'Agostino, R. B. (1971), "An omnibus test of normality for
+               moderate and large sample size", Biometrika, 58, 341-348
+
+        """
+        n = self.num_realizations
+        if n < 8:
+            raise ValueError("Skewness test is not well-defined for n < 8.")
+
+        g1 = self.skew(bias=True)
+
+        # --- Z1 (skewness) ---
+        y = g1 * sqrt(((n + 1.0)*(n + 3.0))/(6.0*(n - 2.0)))
+        beta2 = (3.0*(n**2 + 27.0*n - 70.0)*(n + 1.0)*(n + 3.0)
+                )/((n - 2.0)*(n + 5.0)*(n + 7.0)*(n + 9.0))
+        W2 = -1.0 + sqrt(2.0*(beta2 - 1.0))
+        delta = 1.0 / sqrt(log(sqrt(W2)))
+        alpha = sqrt(2.0 / (W2 - 1.0))
+        Zb1 = np.where(
+            y >= 0.0,
+            delta*np.log((y/alpha) + np.sqrt((y/alpha)**2 + 1.0)),
+            -delta*np.log((-y/alpha) + np.sqrt((y/alpha)**2 + 1.0))
+        )
+
+        # p-value
+        if alternative == "two-sided":
+            p = 2.0 * (1.0 - norm.cdf(np.abs(Zb1)))
+        elif alternative == "greater":
+            p = 1.0 - norm.cdf(Zb1)
+        elif alternative == "less":
+            p = norm.cdf(Zb1)
+        else:
+            raise ValueError("alternative must be 'two-sided', 'greater', or 'less'")
+
+        return Zb1, p
+
+    def kurtosistest(self, alternative: str = "two-sided"):
+        """Perform D'Agostino and Pearson's test for kurtosis.
+
+        This method tests the null hypothesis that the kurtosis of the
+        population that the sample was drawn from is the same as that of a
+        corresponding normal distribution.
+
+        Parameters
+        ----------
+        alternative : {'two-sided', 'less', 'greater'}, optional
+            Defines the alternative hypothesis. Default is 'two-sided'.
+            The following options are available:
+
+            * 'two-sided': the kurtosis of the distribution is different from
+              that of the normal distribution
+            * 'less': the kurtosis of the distribution is less than that of the
+              normal distribution
+            * 'greater': the kurtosis of the distribution is greater than that
+              of the normal distribution
+
+        Returns
+        -------
+        statistic : np.ndarray
+            The computed z-score for the kurtosis test for each tally bin
+        pvalue : np.ndarray
+            The p-value for the hypothesis test for each tally bin
+
+        Raises
+        ------
+        ValueError
+            If the number of realizations is less than 20, or if an invalid
+            alternative hypothesis is specified.
+
+        Notes
+        -----
+        This test is based on D'Agostino and Pearson's test [1]_. The test
+        is typically recommended for at least 20 realizations to produce
+        valid results.
+
+        References
+        ----------
+        .. [1] D'Agostino, R. B. (1971), "An omnibus test of normality for
+               moderate and large sample size", Biometrika, 58, 341-348
+
+        """
+        n = self.num_realizations
+        if n < 20:
+            raise ValueError("Kurtosis test is typically recommended for n >= 20.")
+
+        b2 = self.kurtosis(bias=True, fisher=False)
+
+        # --- Z2 (kurtosis) ---
+        mean_b2 = 3.0 * (n - 1.0) / (n + 1.0)
+        var_b2 = (24.0*n*(n - 2.0)*(n - 3.0)/(
+                    (n + 1.0)**2*(n + 3.0)*(n + 5.0)))
+        x = (b2 - mean_b2)/np.sqrt(var_b2)
+        moment = ((6.0*(n**2 - 5.0*n + 2.0))/((n + 7.0)*(n + 9.0))
+                    )*sqrt((6.0*(n + 3.0)*(n + 5.0))/(n*(n - 2.0)*(n - 3.0)))
+        A = 6.0 + (8.0/moment)*((2.0/moment) + sqrt(1.0 + 4.0/(moment**2)))
+        Zb2 = (1.0- 2.0/(9.0*A) - ((1.0 - 2.0/A) / (1.0 + (x
+                )*sqrt(2.0/(A - 4.0))))**(1.0/3.0)) / sqrt(2.0/(9.0*A))
+
+        # p-value
+        if alternative == "two-sided":
+            p = 2.0 * (1.0 - norm.cdf(np.abs(Zb2)))
+        elif alternative == "greater":
+            p = 1.0 - norm.cdf(Zb2)
+        elif alternative == "less":
+            p = norm.cdf(Zb2)
+        else:
+            raise ValueError("alternative must be 'two-sided', 'greater', or 'less'")
+
+        return Zb2, p
+
+    def normaltest(self, alternative: str = "two-sided"):
+        """Perform D'Agostino and Pearson's omnibus test for normality.
+
+        This method tests the null hypothesis that a sample comes from a
+        normal distribution. It combines skewness and kurtosis to produce an
+        omnibus test of normality.
+
+        Parameters
+        ----------
+        alternative : {'two-sided', 'less', 'greater'}, optional
+            Defines the alternative hypothesis used for the component skewness
+            and kurtosis tests. Default is 'two-sided'. The following options
+            are available:
+
+            * 'two-sided': the distribution is different from normal
+            * 'less': used for the component tests
+            * 'greater': used for the component tests
+
+        Returns
+        -------
+        statistic : np.ndarray
+            The computed z-score for the normality test for each tally bin
+        pvalue : np.ndarray
+            The p-value for the hypothesis test for each tally bin
+
+        Raises
+        ------
+        ValueError
+            If the number of realizations is less than 20, or if an invalid
+            alternative hypothesis is specified.
+
+        Notes
+        -----
+        This test combines a test for skewness and a test for kurtosis to
+        produce an omnibus test [1]_. The test statistic is:
+
+        .. math::
+
+            K^2 = Z_1^2 + Z_2^2
+
+        where :math:`Z_1` is the z-score from the skewness test and
+        :math:`Z_2` is the z-score from the kurtosis test. This statistic
+        follows a chi-square distribution with 2 degrees of freedom.
+
+        The test requires at least 20 realizations to produce valid results.
+
+        References
+        ----------
+        .. [1] D'Agostino, R. B. and Pearson, E. S. (1973), "Tests for
+               departure from normality", Biometrika, 60, 613-622
+
+        """
+        n = self.num_realizations
+        if n < 20:
+            raise ValueError("normaltest requires n >= 20 (per D'Agostino-Pearson).")
+
+        # Use the component tests
+        Z1, _ = self.skewtest(alternative)
+        Z2, _ = self.kurtosistest(alternative)
+
+        # Combine as chi-square with df=2 since we have skewness and kurtosis
+        K2 = Z1*Z1 + Z2*Z2
+        p = chi2.sf(K2, df=2)
+        return K2, p
+
     @property
     def figure_of_merit(self):
         mean = self.mean
         std_dev = self.std_dev
         fom = np.zeros_like(mean)
         nonzero = np.abs(mean) > 0
-        fom[nonzero] = 1.0 / (
-            (std_dev[nonzero] / mean[nonzero])**2 * self._simulation_time)
+        rel_err = std_dev[nonzero] / mean[nonzero]
+        fom[nonzero] = 1.0 / (rel_err**2 * self._simulation_time)
         return fom
 
     @property
@@ -528,6 +975,12 @@ class Tally(IDManagerMixin):
             if self._sum_sq is not None:
                 self._sum_sq = sps.lil_matrix(self._sum_sq.flatten(),
                                               self._sum_sq.shape)
+            if self._sum_third is not None:
+                self._sum_third = sps.lil_matrix(self._sum_third.flatten(),
+                                                 self._sum_third.shape)
+            if self._sum_fourth is not None:
+                self._sum_fourth = sps.lil_matrix(self._sum_fourth.flatten(),
+                                                  self._sum_fourth.shape)
             if self._mean is not None:
                 self._mean = sps.lil_matrix(self._mean.flatten(),
                                             self._mean.shape)
@@ -543,6 +996,10 @@ class Tally(IDManagerMixin):
                 self._sum = np.reshape(self._sum.toarray(), self.shape)
             if self._sum_sq is not None:
                 self._sum_sq = np.reshape(self._sum_sq.toarray(), self.shape)
+            if self._sum_third is not None:
+                self._sum_third = np.reshape(self._sum_third.toarray(), self.shape)
+            if self._sum_fourth is not None:
+                self._sum_fourth = np.reshape(self._sum_fourth.toarray(), self.shape)
             if self._mean is not None:
                 self._mean = np.reshape(self._mean.toarray(), self.shape)
             if self._std_dev is not None:
@@ -869,6 +1326,34 @@ class Tally(IDManagerMixin):
 
             merged_tally._sum_sq = np.reshape(merged_sum_sq, merged_tally.shape)
 
+        # Concatenate sum_third arrays if present in both tallies
+        if self._sum_third is not None and other._sum_third is not None:
+            self_sum_third = self.get_reshaped_data(value="sum_third")
+            other_sum_third = other_copy.get_reshaped_data(value="sum_third")
+
+            if join_right:
+                merged_sum_third = np.concatenate((self_sum_third, other_sum_third),
+                                                  axis=merge_axis)
+            else:
+                merged_sum_third = np.concatenate((other_sum_third, self_sum_third),
+                                                  axis=merge_axis)
+
+            merged_tally._sum_third = np.reshape(merged_sum_third, merged_tally.shape)
+
+        # Concatenate sum_fourth arrays if present in both tallies
+        if self._sum_fourth is not None and other._sum_fourth is not None:
+            self_sum_fourth = self.get_reshaped_data(value="sum_fourth")
+            other_sum_fourth = other_copy.get_reshaped_data(value="sum_fourth")
+
+            if join_right:
+                merged_sum_fourth = np.concatenate((self_sum_fourth, other_sum_fourth),
+                                                   axis=merge_axis)
+            else:
+                merged_sum_fourth = np.concatenate((other_sum_fourth, self_sum_fourth),
+                                                   axis=merge_axis)
+
+            merged_tally._sum_fourth = np.reshape(merged_sum_fourth, merged_tally.shape)
+
         # Concatenate mean arrays if present in both tallies
         if self.mean is not None and other.mean is not None:
             self_mean = self.get_reshaped_data(value='mean')
@@ -958,6 +1443,11 @@ class Tally(IDManagerMixin):
             subelement = ET.SubElement(element, "derivative")
             subelement.text = str(self.derivative.id)
 
+        # Optional higher moments accumulation
+        if self.higher_moments:
+            subelement = ET.SubElement(element, "higher_moments")
+            subelement.text = str(self.higher_moments).lower()
+
         return element
 
     def add_results(self, statepoint: cv.PathLike | openmc.StatePoint):
@@ -984,8 +1474,12 @@ class Tally(IDManagerMixin):
         # point are based on the current statepoint file
         self._sum = None
         self._sum_sq = None
+        self._sum_third = None
+        self._sum_fourth = None
         self._mean = None
         self._std_dev = None
+        self._vov = None
+        self._higher_moments = False
         self._num_realizations = 0
         self._results_read = False
 
@@ -1355,7 +1849,9 @@ class Tally(IDManagerMixin):
            (value == 'std_dev' and self.std_dev is None) or \
            (value == 'rel_err' and self.mean is None) or \
            (value == 'sum' and self.sum is None) or \
-           (value == 'sum_sq' and self.sum_sq is None):
+           (value == 'sum_sq' and self.sum_sq is None) or \
+           (value == "sum_third" and self.sum_third is None) or \
+           (value == "sum_fourth" and self.sum_fourth is None):
             msg = f'The Tally ID="{self.id}" has no data to return'
             raise ValueError(msg)
 
@@ -1378,10 +1874,14 @@ class Tally(IDManagerMixin):
             data = self.sum[indices]
         elif value == 'sum_sq':
             data = self.sum_sq[indices]
+        elif value == "sum_third":
+            data = self.sum_third[indices]
+        elif value == "sum_fourth":
+            data = self.sum_fourth[indices]
         else:
             msg = f'Unable to return results from Tally ID="{value}" since ' \
                   f'the requested value "{self.id}" is not \'mean\', ' \
-                  '\'std_dev\', \'rel_err\', \'sum\', or \'sum_sq\''
+                  '\'std_dev\', \'rel_err\', \'sum\', \'sum_sq\', \'sum_third\' or \'sum_fourth\''
             raise LookupError(msg)
 
         return data
@@ -2711,6 +3211,16 @@ class Tally(IDManagerMixin):
             new_sum_sq = self.get_values(scores, filters, filter_bins,
                                          nuclides, 'sum_sq')
             new_tally.sum_sq = new_sum_sq
+        if not self.derived and self._sum_third is not None:
+            new_sum_third = self.get_values(
+                scores, filters, filter_bins, nuclides, "sum_third"
+            )
+            new_tally._sum_third = new_sum_third
+        if not self.derived and self._sum_fourth is not None:
+            new_sum_fourth = self.get_values(
+                scores, filters, filter_bins, nuclides, "sum_fourth"
+            )
+            new_tally._sum_fourth = new_sum_fourth
         if self.mean is not None:
             new_mean = self.get_values(scores, filters, filter_bins,
                                        nuclides, 'mean')
@@ -3151,6 +3661,12 @@ class Tally(IDManagerMixin):
         if not self.derived and self.sum_sq is not None:
             new_tally._sum_sq = np.zeros(new_tally.shape, dtype=np.float64)
             new_tally._sum_sq[diag_indices, :, :] = self.sum_sq
+        if not self.derived and self._sum_third is not None:
+            new_tally._sum_third = np.zeros(new_tally.shape, dtype=np.float64)
+            new_tally._sum_third[diag_indices, :, :] = self.sum_third
+        if not self.derived and self._sum_fourth is not None:
+            new_tally._sum_fourth = np.zeros(new_tally.shape, dtype=np.float64)
+            new_tally._sum_fourth[diag_indices, :, :] = self.sum_fourth
         if self.mean is not None:
             new_tally._mean = np.zeros(new_tally.shape, dtype=np.float64)
             new_tally._mean[diag_indices, :, :] = self.mean
diff --git a/src/hdf5_interface.cpp b/src/hdf5_interface.cpp
index bf1f79549..c56d485e2 100644
--- a/src/hdf5_interface.cpp
+++ b/src/hdf5_interface.cpp
@@ -536,14 +536,14 @@ void read_complex(
   H5Tclose(complex_id);
 }
 
-void read_tally_results(
-  hid_t group_id, hsize_t n_filter, hsize_t n_score, double* results)
+void read_tally_results(hid_t group_id, hsize_t n_filter, hsize_t n_score,
+  hsize_t n_results, double* results)
 {
   // Create dataspace for hyperslab in memory
   constexpr int ndim = 3;
-  hsize_t dims[ndim] {n_filter, n_score, 3};
+  hsize_t dims[ndim] {n_filter, n_score, n_results};
   hsize_t start[ndim] {0, 0, 1};
-  hsize_t count[ndim] {n_filter, n_score, 2};
+  hsize_t count[ndim] {n_filter, n_score, n_results - 1};
   hid_t memspace = H5Screate_simple(ndim, dims, nullptr);
   H5Sselect_hyperslab(memspace, H5S_SELECT_SET, start, nullptr, count, nullptr);
 
@@ -686,15 +686,15 @@ void write_string(
     group_id, 0, nullptr, buffer.length(), name, buffer.c_str(), indep);
 }
 
-void write_tally_results(
-  hid_t group_id, hsize_t n_filter, hsize_t n_score, const double* results)
+void write_tally_results(hid_t group_id, hsize_t n_filter, hsize_t n_score,
+  hsize_t n_results, const double* results)
 {
   // Set dimensions of sum/sum_sq hyperslab to store
   constexpr int ndim = 3;
-  hsize_t count[ndim] {n_filter, n_score, 2};
+  hsize_t count[ndim] {n_filter, n_score, n_results - 1};
 
   // Set dimensions of results array
-  hsize_t dims[ndim] {n_filter, n_score, 3};
+  hsize_t dims[ndim] {n_filter, n_score, n_results};
   hsize_t start[ndim] {0, 0, 1};
   hid_t memspace = H5Screate_simple(ndim, dims, nullptr);
   H5Sselect_hyperslab(memspace, H5S_SELECT_SET, start, nullptr, count, nullptr);
diff --git a/src/state_point.cpp b/src/state_point.cpp
index 8195c4865..0b0fed132 100644
--- a/src/state_point.cpp
+++ b/src/state_point.cpp
@@ -201,6 +201,12 @@ extern "C" int openmc_statepoint_write(const char* filename, bool* write_source)
           write_attribute(tally_group, "multiply_density", 0);
         }
 
+        if (tally->higher_moments()) {
+          write_attribute(tally_group, "higher_moments", 1);
+        } else {
+          write_attribute(tally_group, "higher_moments", 0);
+        }
+
         if (tally->estimator_ == TallyEstimator::ANALOG) {
           write_dataset(tally_group, "estimator", "analog");
         } else if (tally->estimator_ == TallyEstimator::TRACKLENGTH) {
@@ -264,12 +270,13 @@ extern "C" int openmc_statepoint_write(const char* filename, bool* write_source)
         for (const auto& tally : model::tallies) {
           if (!tally->writable_)
             continue;
-          // Write sum and sum_sq for each bin
+
+          // Write results for each bin
           std::string name = "tally " + std::to_string(tally->id_);
           hid_t tally_group = open_group(tallies_group, name.c_str());
           auto& results = tally->results_;
           write_tally_results(tally_group, results.shape()[0],
-            results.shape()[1], results.data());
+            results.shape()[1], results.shape()[2], results.data());
           close_group(tally_group);
         }
       } else {
@@ -509,7 +516,8 @@ extern "C" int openmc_statepoint_load(const char* filename)
         } else {
           auto& results = tally->results_;
           read_tally_results(tally_group, results.shape()[0],
-            results.shape()[1], results.data());
+            results.shape()[1], results.shape()[2], results.data());
+
           read_dataset(tally_group, "n_realizations", tally->n_realizations_);
           close_group(tally_group);
         }
@@ -1001,7 +1009,8 @@ void write_tally_results_nr(hid_t file_id)
 
       // Write reduced tally results to file
       auto shape = results_copy.shape();
-      write_tally_results(tally_group, shape[0], shape[1], results_copy.data());
+      write_tally_results(
+        tally_group, shape[0], shape[1], shape[2], results_copy.data());
 
       close_group(tally_group);
     } else {
diff --git a/src/tallies/tally.cpp b/src/tallies/tally.cpp
index 12ee3427e..9daeb1d69 100644
--- a/src/tallies/tally.cpp
+++ b/src/tallies/tally.cpp
@@ -107,6 +107,9 @@ Tally::Tally(pugi::xml_node node)
     multiply_density_ = get_node_value_bool(node, "multiply_density");
   }
 
+  if (check_for_node(node, "higher_moments")) {
+    higher_moments_ = get_node_value_bool(node, "higher_moments");
+  }
   // =======================================================================
   // READ DATA FOR FILTERS
 
@@ -800,7 +803,11 @@ void Tally::init_triggers(pugi::xml_node node)
 void Tally::init_results()
 {
   int n_scores = scores_.size() * nuclides_.size();
-  results_ = xt::empty<double>({n_filter_bins_, n_scores, 3});
+  if (higher_moments_) {
+    results_ = xt::empty<double>({n_filter_bins_, n_scores, 5});
+  } else {
+    results_ = xt::empty<double>({n_filter_bins_, n_scores, 3});
+  }
 }
 
 void Tally::reset()
@@ -838,14 +845,33 @@ void Tally::accumulate()
       norm = 1.0;
     }
 
-// Accumulate each result
+    // Accumulate each result
+    if (higher_moments_) {
 #pragma omp parallel for
-    for (int i = 0; i < results_.shape()[0]; ++i) {
-      for (int j = 0; j < results_.shape()[1]; ++j) {
-        double val = results_(i, j, TallyResult::VALUE) * norm;
-        results_(i, j, TallyResult::VALUE) = 0.0;
-        results_(i, j, TallyResult::SUM) += val;
-        results_(i, j, TallyResult::SUM_SQ) += val * val;
+      // filter bins (specific cell, energy bins)
+      for (int i = 0; i < results_.shape()[0]; ++i) {
+        // score bins (flux, total reaction rate, fission reaction rate, etc.)
+        for (int j = 0; j < results_.shape()[1]; ++j) {
+          double val = results_(i, j, TallyResult::VALUE) * norm;
+          double val2 = val * val;
+          results_(i, j, TallyResult::VALUE) = 0.0;
+          results_(i, j, TallyResult::SUM) += val;
+          results_(i, j, TallyResult::SUM_SQ) += val2;
+          results_(i, j, TallyResult::SUM_THIRD) += val2 * val;
+          results_(i, j, TallyResult::SUM_FOURTH) += val2 * val2;
+        }
+      }
+    } else {
+#pragma omp parallel for
+      // filter bins (specific cell, energy bins)
+      for (int i = 0; i < results_.shape()[0]; ++i) {
+        // score bins (flux, total reaction rate, fission reaction rate, etc.)
+        for (int j = 0; j < results_.shape()[1]; ++j) {
+          double val = results_(i, j, TallyResult::VALUE) * norm;
+          results_(i, j, TallyResult::VALUE) = 0.0;
+          results_(i, j, TallyResult::SUM) += val;
+          results_(i, j, TallyResult::SUM_SQ) += val * val;
+        }
       }
     }
   }
diff --git a/src/weight_windows.cpp b/src/weight_windows.cpp
index 674fae49c..9333800bc 100644
--- a/src/weight_windows.cpp
+++ b/src/weight_windows.cpp
@@ -547,8 +547,10 @@ void WeightWindows::update_weights(const Tally* tally, const std::string& value,
 
   // build a shape for a view of the tally results, this will always be
   // dimension 5 (3 filter dimensions, 1 score dimension, 1 results dimension)
-  std::array<int, 5> shape = {
-    1, 1, 1, tally->n_scores(), static_cast<int>(TallyResult::SIZE)};
+  // Look for the size of the last dimension of the results array
+  const auto& results_arr = tally->results();
+  const int results_dim = static_cast<int>(results_arr.shape()[2]);
+  std::array<int, 5> shape = {1, 1, 1, tally->n_scores(), results_dim};
 
   // set the shape for the filters applied on the tally
   for (int i = 0; i < tally->filters().size(); i++) {
@@ -586,7 +588,7 @@ void WeightWindows::update_weights(const Tally* tally, const std::string& value,
 
   // get a fully reshaped view of the tally according to tally ordering of
   // filters
-  auto tally_values = xt::reshape_view(tally->results(), shape);
+  auto tally_values = xt::reshape_view(results_arr, shape);
 
   // get a that is (particle, energy, mesh, scores, values)
   auto transposed_view = xt::transpose(tally_values, transpose);
diff --git a/tests/unit_tests/test_tallies.py b/tests/unit_tests/test_tallies.py
index c38f067d5..7b1bf0a2f 100644
--- a/tests/unit_tests/test_tallies.py
+++ b/tests/unit_tests/test_tallies.py
@@ -1,6 +1,8 @@
+from math import sqrt
 import numpy as np
 import pytest
 import openmc
+import scipy.stats as sps
 
 
 def test_xml_roundtrip(run_in_tmpdir):
@@ -163,3 +165,214 @@ def test_tally_application(sphere_model, run_in_tmpdir):
     assert (sp_tally.std_dev == tally.std_dev).all()
     assert (sp_tally.mean == tally.mean).all()
     assert sp_tally.nuclides == tally.nuclides
+
+def _tally_from_data(x, *, higher_moments=True, normality=True):
+    t = openmc.Tally()
+    t.scores = ["flux"]  # 1 score
+    t.nuclides = [openmc.Nuclide("H1")]  # 1 nuclide
+    t._sp_filename = "dummy.h5"  # mark "results available"
+    t._results_read = True  # don't try to read from disk
+    t._num_realizations = int(len(x))  # n
+    t.higher_moments = bool(higher_moments)
+
+    x = np.asarray(x, dtype=float)
+    # (num_filter_bins=1, num_nuclides=1, num_scores=1) -> (1,1,1) arrays
+    t._sum = np.array([[[np.sum(x)]]], dtype=float)
+    t._sum_sq = np.array([[[np.sum(x**2)]]], dtype=float)
+    if higher_moments:
+        t._sum_third = np.array([[[np.sum(x**3)]]], dtype=float)
+        t._sum_fourth = np.array([[[np.sum(x**4)]]], dtype=float)
+    return t
+
+@pytest.mark.parametrize(
+    "x, skew_true, kurt_true",
+    [   # Rademacher distribution
+        (np.array([1.0, -1.0] * 200), 0.0, 1.0),
+        # Two-point {0,3} with p(0)=3/4, p(3)=1/4
+        (np.concatenate([np.zeros(600), np.full(200, 3.0)]), 2.0 / sqrt(3.0), 7.0 / 3.0),
+        # Bernoulli distribution
+        (np.concatenate([np.ones(300), np.zeros(700)]), (1 - 2 * 0.3) / sqrt(0.3 * 0.7), (1 - 3 * 0.3 + 3 * 0.3**2) / (0.3 * 0.7)),
+    ],
+)
+def test_b1_b2_analytical_against_tally(x, skew_true, kurt_true):
+    t = _tally_from_data(x, higher_moments=True, normality=False)
+
+    g1 = t.skew(bias=True)[0, 0, 0]
+    b2 = t.kurtosis(bias=True, fisher=False)[0, 0, 0]
+
+    assert np.isclose(g1, skew_true, rtol=0, atol=1e-12)
+    assert np.isclose(b2, kurt_true, rtol=0, atol=1e-12)
+
+@pytest.mark.parametrize(
+    "draw, skew_true, kurt_true",
+    [(lambda rng, n: rng.normal(0, 1, n), 0.0, 3.0),  # Normal
+     (lambda rng, n: rng.random(n), 0.0, 1.8),  # Uniform(0,1)
+     (lambda rng, n: rng.exponential(1.0, n), 2.0, 9.0),  # Exp(1)
+     (lambda rng, n: (rng.random(n) < 0.3).astype(float),
+            (1 - 2 * 0.3) / sqrt(0.3 * 0.7),
+            (1 - 3 * 0.3 + 3 * 0.3**2) / (0.3 * 0.7),),],)
+
+def test_b1_b2_scipy_and_theory(draw, skew_true, kurt_true):
+    rng = np.random.default_rng(12345)
+    N = 200_000
+    x = draw(rng, N)
+
+    # Tally outputs
+    t = _tally_from_data(x, higher_moments=True, normality=False)
+    g1_t = t.skew(bias=True)[0, 0, 0]
+    b2_t = t.kurtosis(bias=True, fisher=False)[0, 0, 0]
+
+    # SciPy (population, bias=True to match population-moment style)
+    skew_sp = sps.skew(x, bias=True)
+    kurt_sp = sps.kurtosis(x, fisher=False, bias=True)
+
+    # Compare to SciPy numerically
+    assert np.isclose(g1_t, skew_sp, rtol=0, atol=5e-3)
+    assert np.isclose(b2_t, kurt_sp, rtol=0, atol=5e-3)
+
+    # Compare to analytical targets with size-dependent tolerances
+    tol_skew = 0.02 if abs(skew_true) < 0.5 else 0.05
+    tol_kurt = 0.03 if kurt_true < 4 else 0.1
+    assert abs(g1_t - skew_true) < tol_skew
+    assert abs(b2_t - kurt_true) < tol_kurt
+
+
+def test_kurtosis_bias_fisher_combinations():
+    """Test that all combinations of bias and fisher match scipy.stats.kurtosis"""
+    rng = np.random.default_rng(42)
+    x = rng.normal(0, 1, 10000)
+
+    t = _tally_from_data(x, higher_moments=True, normality=False)    # Test all four combinations
+    # 1. bias=True, fisher=False (Pearson's kurtosis, b2)
+    b2_tally = t.kurtosis(bias=True, fisher=False)[0, 0, 0]
+    b2_scipy = sps.kurtosis(x, fisher=False, bias=True)
+    assert np.isclose(b2_tally, b2_scipy, rtol=0, atol=1e-10)
+    assert np.isclose(b2_tally, 3.0, rtol=0.05, atol=0.1)  # Should be ~3 for normal
+
+    # 2. bias=True, fisher=True (excess kurtosis, g2)
+    g2_tally = t.kurtosis(bias=True, fisher=True)[0, 0, 0]
+    g2_scipy = sps.kurtosis(x, fisher=True, bias=True)
+    assert np.isclose(g2_tally, g2_scipy, rtol=0, atol=1e-10)
+    assert np.isclose(g2_tally, 0.0, rtol=0, atol=0.1)  # Should be ~0 for normal
+    assert np.isclose(g2_tally, b2_tally - 3.0, rtol=0, atol=1e-10)  # g2 = b2 - 3
+
+    # 3. bias=False, fisher=True (adjusted excess kurtosis, G2)
+    G2_tally = t.kurtosis(bias=False, fisher=True)[0, 0, 0]
+    G2_tally_default = t.kurtosis()[0, 0, 0]  # Should be same as default
+    G2_scipy = sps.kurtosis(x, fisher=True, bias=False)
+    assert np.isclose(G2_tally, G2_tally_default, rtol=0, atol=1e-10)
+    assert np.isclose(G2_tally, G2_scipy, rtol=0, atol=1e-10)
+    assert np.isclose(G2_tally, 0.0, rtol=0, atol=0.1)  # Should be ~0 for normal
+
+    # 4. bias=False, fisher=False (adjusted Pearson's kurtosis)
+    adj_b2_tally = t.kurtosis(bias=False, fisher=False)[0, 0, 0]
+    adj_b2_scipy = sps.kurtosis(x, fisher=False, bias=False)
+    assert np.isclose(adj_b2_tally, adj_b2_scipy, rtol=0, atol=1e-10)
+    assert np.isclose(adj_b2_tally, 3.0, rtol=0.05, atol=0.1)  # Should be ~3 for normal
+    assert np.isclose(adj_b2_tally, G2_tally + 3.0, rtol=0, atol=1e-10)  # adj_b2 = G2 + 3
+
+
+def test_ztests_scipy_comparison():
+    rng = np.random.default_rng(987)
+    x_norm = rng.normal(size=50_000)
+    x_exp = rng.exponential(size=50_000)
+
+    # -------- Normal dataset (should not reject) --------
+    t0 = _tally_from_data(x_norm, higher_moments=True, normality=True)
+    Zb1_0, p_skew_0 = t0.skewtest(alternative="two-sided")
+    Zb2_0, p_kurt_0 = t0.kurtosistest(alternative="two-sided")
+    K2_0, p_omni_0 = t0.normaltest(alternative="two-sided")
+
+    Zb1_0 = Zb1_0.ravel()[0]
+    p_skew_0 = p_skew_0.ravel()[0]
+    Zb2_0 = Zb2_0.ravel()[0]
+    p_kurt_0 = p_kurt_0.ravel()[0]
+    K2_0 = K2_0.ravel()[0]
+    p_omni_0 = p_omni_0.ravel()[0]
+
+    z_skew_sp0, p_skew_sp0 = sps.skewtest(x_norm)
+    z_kurt_sp0, p_kurt_sp0 = sps.kurtosistest(x_norm)
+    k2_sp0, p_omni_sp0 = sps.normaltest(x_norm)
+
+    assert np.isclose(Zb1_0, z_skew_sp0, atol=0.15)
+    assert np.isclose(Zb2_0, z_kurt_sp0, atol=0.15)
+    assert np.isclose(K2_0, k2_sp0, atol=0.30)
+    assert np.isclose(p_skew_0, p_skew_sp0, atol=5e-3)
+    assert np.isclose(p_kurt_0, p_kurt_sp0, atol=5e-3)
+    assert np.isclose(p_omni_0, p_omni_sp0, atol=5e-3)
+
+    # -------- Exponential dataset (should strongly reject) --------
+    t1 = _tally_from_data(x_exp, higher_moments=True, normality=True)
+
+    Zb1_1, p_skew_1 = t1.skewtest(alternative="two-sided")
+    Zb2_1, p_kurt_1 = t1.kurtosistest(alternative="two-sided")
+    K2_1, p_omni_1 = t1.normaltest(alternative="two-sided")
+
+    Zb1_1 = Zb1_1.ravel()[0]
+    p_skew_1 = p_skew_1.ravel()[0]
+    Zb2_1 = Zb2_1.ravel()[0]
+    p_kurt_1 = p_kurt_1.ravel()[0]
+    K2_1 = K2_1.ravel()[0]
+    p_omni_1 = p_omni_1.ravel()[0]
+
+    z_skew_sp1, p_skew_sp1 = sps.skewtest(x_exp)
+    z_kurt_sp1, p_kurt_sp1 = sps.kurtosistest(x_exp)
+    k2_sp1, p_omni_sp1 = sps.normaltest(x_exp)
+
+    # Both pipelines should reject very strongly
+    assert p_skew_1 < 1e-6 and p_skew_sp1 < 1e-6
+    assert p_kurt_1 < 1e-6 and p_kurt_sp1 < 1e-6
+    assert p_omni_1 < 1e-6 and p_omni_sp1 < 1e-6
+
+    # Right-skewed and heavy-tailed → large positive Z-statistics
+    assert Zb1_1 > 30 and z_skew_sp1 > 30
+    assert Zb2_1 > 30 and z_kurt_sp1 > 30
+    assert K2_1 > 2000 and k2_sp1 > 2000
+
+def test_vov_stochastic(sphere_model, run_in_tmpdir):
+    tally = openmc.Tally(name="test tally")
+    ef = openmc.EnergyFilter([0.0, 0.1, 1.0, 10.0e6])
+    mesh = openmc.RegularMesh.from_domain(sphere_model.geometry, (2, 2, 2))
+    mf = openmc.MeshFilter(mesh)
+    tally.filters = [ef, mf]
+    tally.scores = ["flux", "absorption", "fission", "scatter"]
+    tally.higher_moments = True
+    sphere_model.tallies = [tally]
+
+    sp_file = sphere_model.run(apply_tally_results=True)
+
+    assert tally._mean is None
+    assert tally._std_dev is None
+    assert tally._sum is None
+    assert tally._sum_sq is None
+    assert tally._sum_third is None
+    assert tally._sum_fourth is None
+    assert tally._num_realizations == 0
+    assert tally._sp_filename == sp_file
+
+    with openmc.StatePoint(sp_file) as sp:
+        assert tally in sp.tallies.values()
+        sp_tally = sp.tallies[tally.id]
+
+    assert np.all(sp_tally.std_dev == tally.std_dev)
+    assert np.all(sp_tally.mean == tally.mean)
+    assert np.all(sp_tally.vov == tally.vov)
+    assert sp_tally.nuclides == tally.nuclides
+
+    n = sp_tally.num_realizations
+    mean = sp_tally.mean
+    sum_ = sp_tally._sum
+    sum_sq = sp_tally._sum_sq
+    sum_third = sp_tally._sum_third
+    sum_fourth = sp_tally._sum_fourth
+
+    expected_vov = np.zeros_like(mean)
+    nonzero = np.abs(mean) > 0
+
+    num = (sum_fourth - (4.0*sum_third*sum_)/n + (6.0*sum_sq*sum_**2)/(n**2)
+           - (3.0*sum_**4)/(n**3))
+    den = (sum_sq - (1.0/n)*sum_**2)**2
+
+    expected_vov[nonzero] = num[nonzero]/den[nonzero] - 1.0/n
+
+    assert np.allclose(expected_vov, sp_tally.vov, rtol=1e-7, atol=0.0)

From 4e24c2d933dcf92b4ddb51dfca362a20ef82f2f6 Mon Sep 17 00:00:00 2001
From: April Novak <novak@berkeley.edu>
Date: Wed, 12 Nov 2025 15:59:45 -0600
Subject: [PATCH 2431/2654] Update documentation for particle tracks (#3627)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 docs/source/usersguide/processing.rst | 16 ++++++++--------
 1 file changed, 8 insertions(+), 8 deletions(-)

diff --git a/docs/source/usersguide/processing.rst b/docs/source/usersguide/processing.rst
index 8b5ae53fa..fe6ab0826 100644
--- a/docs/source/usersguide/processing.rst
+++ b/docs/source/usersguide/processing.rst
@@ -68,17 +68,17 @@ generation, and particle number of the desired particle. For example, to create
 a track file for particle 4 of batch 1 and generation 2::
 
   settings = openmc.Settings()
-  settings.track = (1, 2, 4)
+  settings.track = [(1, 2, 4)]
 
-To specify multiple particles, the length of the iterable should be a multiple
-of three, e.g., if we wanted particles 3 and 4 from batch 1 and generation 2::
+To specify multiple particles, specify a list of tuples, e.g., if we wanted
+particles 3 and 4 from batch 1 and generation 2::
 
-  settings.track = (1, 2, 3, 1, 2, 4)
+  settings.track = [(1, 2, 3), (1, 2, 4)]
 
-After running OpenMC, the working directory will contain a file of the form
-"track_(batch #)_(generation #)_(particle #).h5" for each particle tracked.
-These track files can be converted into VTK poly data files with the
-:class:`openmc.Tracks` class.
+After running OpenMC (now, without the ``-t`` argument), the working directory
+will contain a file named `tracks.h5`, which contains a collection of particle
+tracks. These track files can be converted into VTK poly data files or
+matplotlib plots with the :class:`openmc.Tracks` class.
 
 ----------------------
 Source Site Processing

From 50bb0df191053e6fc58b9d779022402ac159115e Mon Sep 17 00:00:00 2001
From: Lorenzo Chierici <l.chierici89@gmail.com>
Date: Wed, 12 Nov 2025 23:45:48 +0100
Subject: [PATCH 2432/2654] depletion-thermochemistry: Redox control transfer
 rates (#2783)

Co-authored-by: Gavin Ridley <gavin.keith.ridley@gmail.com>
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/deplete/abc.py                         |  30 ++++++++++
 openmc/deplete/chain.py                       |  54 ++++++++++++++++++
 openmc/deplete/pool.py                        |  13 +++++
 openmc/deplete/transfer_rates.py              |  43 +++++++++++++-
 .../ref_depletion_with_ext_source.h5          | Bin 37328 -> 37328 bytes
 .../ref_depletion_with_feed.h5                | Bin 37328 -> 37328 bytes
 .../ref_depletion_with_redox.h5               | Bin 0 -> 37328 bytes
 .../ref_depletion_with_removal.h5             | Bin 37328 -> 37328 bytes
 .../ref_depletion_with_removal_and_redox.h5   | Bin 0 -> 37328 bytes
 .../ref_depletion_with_transfer.h5            | Bin 37328 -> 37328 bytes
 .../ref_depletion_with_transfer_and_redox.h5  | Bin 0 -> 37328 bytes
 .../ref_no_depletion_only_feed.h5             | Bin 37328 -> 37328 bytes
 .../ref_no_depletion_only_removal.h5          | Bin 37328 -> 37328 bytes
 .../ref_no_depletion_with_ext_source.h5       | Bin 37328 -> 37328 bytes
 .../ref_no_depletion_with_transfer.h5         | Bin 37328 -> 37328 bytes
 .../deplete_with_transfer_rates/test.py       |  22 ++++---
 .../unit_tests/test_deplete_transfer_rates.py |  32 +++++++++++
 17 files changed, 185 insertions(+), 9 deletions(-)
 create mode 100644 tests/regression_tests/deplete_with_transfer_rates/ref_depletion_with_redox.h5
 create mode 100644 tests/regression_tests/deplete_with_transfer_rates/ref_depletion_with_removal_and_redox.h5
 create mode 100644 tests/regression_tests/deplete_with_transfer_rates/ref_depletion_with_transfer_and_redox.h5

diff --git a/openmc/deplete/abc.py b/openmc/deplete/abc.py
index c5a6219c7..fb18d86af 100644
--- a/openmc/deplete/abc.py
+++ b/openmc/deplete/abc.py
@@ -1013,6 +1013,36 @@ class Integrator(ABC):
             material, composition, rate, rate_units, timesteps)
 
 
+    def add_redox(self, material, buffer, oxidation_states, timesteps=None):
+        """Add redox control to depletable material.
+
+        Parameters
+        ----------
+        material : openmc.Material or str or int
+            Depletable material
+        buffer : dict
+            Dictionary of buffer nuclides used to maintain redox balance. Keys
+            are nuclide names (strings) and values are their respective
+            fractions (float) that collectively sum to 1.
+        oxidation_states : dict
+            User-defined oxidation states for elements. Keys are element symbols
+            (e.g., 'H', 'He'), and values are their corresponding oxidation
+            states as integers (e.g., +1, 0).
+        timesteps : list of int, optional
+            List of timestep indices where to set external source rates.
+            Defaults to None, which means the external source rate is set for
+            all timesteps.
+        """
+        if self.transfer_rates is None:
+            if hasattr(self.operator, 'model'):
+                materials = self.operator.model.materials
+            elif hasattr(self.operator, 'materials'):
+                materials = self.operator.materials
+            self.transfer_rates = TransferRates(
+                self.operator, materials, len(self.timesteps))
+
+        self.transfer_rates.set_redox(material, buffer, oxidation_states, timesteps)
+
 @add_params
 class SIIntegrator(Integrator):
     r"""Abstract class for the Stochastic Implicit Euler integrators
diff --git a/openmc/deplete/chain.py b/openmc/deplete/chain.py
index ac5c02aa5..f34416d56 100644
--- a/openmc/deplete/chain.py
+++ b/openmc/deplete/chain.py
@@ -7,6 +7,7 @@ loaded from an .xml file and all the nuclides are linked together.
 from io import StringIO
 from itertools import chain
 import math
+import numpy as np
 import re
 from collections import defaultdict, namedtuple
 from collections.abc import Mapping, Iterable
@@ -714,6 +715,59 @@ class Chain:
         # Return CSC representation instead of DOK
         return sp.csc_matrix((vals, (rows, cols)), shape=(n, n))
 
+    def add_redox_term(self, matrix, buffer, oxidation_states):
+        """Adds a redox term to the depletion matrix from data contained in
+        the matrix itself and a few user-inputs.
+
+        The redox term to add to the buffer nuclide :math:`N_j` can be written
+        as: :math:`\frac{dN_j(t)}{dt} =
+                \cdots - \frac{1}{OS_j}\sum_i N_i a_{ij} \cdot OS_i `
+
+        where :math:`OS` is the oxidation states vector and `a_{ij}` the
+        corresponding term in the Bateman matrix.
+
+        Parameters
+        ----------
+        matrix : scipy.sparse.csc_matrix
+            Sparse matrix representing depletion
+        buffer : dict
+            Dictionary of buffer nuclides used to maintain anoins net balance.
+            Keys are nuclide names (strings) and values are their respective
+            fractions (float) that collectively sum to 1.
+        oxidation_states : dict
+            User-defined oxidation states for elements. Keys are element symbols
+            (e.g., 'H', 'He'), and values are their corresponding oxidation
+            states as integers (e.g., +1, 0).
+        Returns
+        -------
+        matrix : scipy.sparse.csc_matrix
+            Sparse matrix with redox term added
+        """
+        # Elements list with the same size as self.nuclides
+        elements = [re.split(r'\d+', nuc.name)[0] for nuc in self.nuclides]
+
+        # Match oxidation states with all elements and add 0 if not data
+        os = np.array([oxidation_states[elm] if elm in oxidation_states else 0
+                       for elm in elements])
+
+        # Buffer idx with nuclide index as value
+        buffer_idx = {nuc: self.nuclide_dict[nuc] for nuc in buffer}
+        array = matrix.toarray()
+        redox_change = np.array([])
+
+        # calculate the redox array
+        for i in range(len(self)):
+            # Net redox impact of reaction: multiply the i-th column of the
+            # depletion matrix by the oxidation states
+            redox_change = np.append(redox_change, sum(array[:, i]*os))
+
+        # Subtract redox vector to the buffer nuclides in the matrix scaling by
+        # their respective oxidation states
+        for nuc, idx in buffer_idx.items():
+            array[idx] -= redox_change * buffer[nuc] / os[idx]
+
+        return sp.csc_matrix(array)
+
     def form_rr_term(self, tr_rates, current_timestep, mats):
         """Function to form the transfer rate term matrices.
 
diff --git a/openmc/deplete/pool.py b/openmc/deplete/pool.py
index 03b050af3..aa348c02a 100644
--- a/openmc/deplete/pool.py
+++ b/openmc/deplete/pool.py
@@ -109,6 +109,13 @@ def deplete(func, chain, n, rates, dt, current_timestep=None, matrix_func=None,
         matrices = [matrix - transfer for (matrix, transfer) in zip(matrices,
                                                                     transfers)]
 
+        if transfer_rates.redox:
+            for mat_idx, mat_id in enumerate(transfer_rates.local_mats):
+                if mat_id in transfer_rates.redox:
+                    matrices[mat_idx] = chain.add_redox_term(matrices[mat_idx],
+                                                transfer_rates.redox[mat_id][0],
+                                                transfer_rates.redox[mat_id][1])
+
         if current_timestep in transfer_rates.index_transfer:
             # Gather all on comm.rank 0
             matrices = comm.gather(matrices)
@@ -125,6 +132,12 @@ def deplete(func, chain, n, rates, dt, current_timestep=None, matrix_func=None,
                     transfer_matrix = chain.form_rr_term(transfer_rates,
                                                          current_timestep,
                                                          mat_pair)
+
+                    # check if destination material has a redox control
+                    if mat_pair[0] in transfer_rates.redox:
+                        transfer_matrix = chain.add_redox_term(transfer_matrix,
+                                          transfer_rates.redox[mat_pair[0]][0],
+                                          transfer_rates.redox[mat_pair[0]][1])
                     transfer_pair[mat_pair] = transfer_matrix
 
                 # Combine all matrices together in a single matrix of matrices
diff --git a/openmc/deplete/transfer_rates.py b/openmc/deplete/transfer_rates.py
index 4f2b9aba5..ea9fc9185 100644
--- a/openmc/deplete/transfer_rates.py
+++ b/openmc/deplete/transfer_rates.py
@@ -49,9 +49,10 @@ class ExternalRates:
         self.local_mats = operator.local_mats
         self.number_of_timesteps = number_of_timesteps
 
-        # initialize transfer rates container dict
+        #initialize transfer rates container dict
         self.external_rates = {mat: defaultdict(list) for mat in self.burnable_mats}
         self.external_timesteps = []
+        self.redox = {}
 
     def _get_material_id(self, val):
         """Helper method for getting material id from Material obj or name.
@@ -300,6 +301,46 @@ class TransferRates(ExternalRates):
             self.external_timesteps = np.unique(np.concatenate(
                     [self.external_timesteps, timesteps]))
 
+    def set_redox(self, material, buffer, oxidation_states, timesteps=None):
+        """Add redox control to depletable material.
+
+        Parameters
+        ----------
+        material : openmc.Material or str or int
+            Depletable material
+        buffer : dict
+            Dictionary of buffer nuclides used to maintain redox balance.
+            Keys are nuclide names (strings) and values are their respective
+            fractions (float) that collectively sum to 1.
+        oxidation_states : dict
+            User-defined oxidation states for elements.
+            Keys are element symbols (e.g., 'H', 'He'), and values are their
+            corresponding oxidation states as integers (e.g., +1, 0).
+        timesteps : list of int, optional
+            List of timestep indices where to set external source rates.
+            Defaults to None, which means the external source rate is set for
+            all timesteps.
+
+        """
+        material_id = self._get_material_id(material)
+        if timesteps is not None:
+            for timestep in timesteps:
+                check_value('timestep', timestep, range(self.number_of_timesteps))
+            timesteps = np.array(timesteps)
+        else:
+            timesteps = np.arange(self.number_of_timesteps)
+        #Check nuclides in buffer exist
+        for nuc in buffer:
+            if nuc not in self.chain_nuclides:
+                raise ValueError(f'{nuc} is not a valid nuclide.')
+        # Checks element in oxidation states exist
+        for elm in oxidation_states:
+            if elm not in ELEMENT_SYMBOL.values():
+                raise ValueError(f'{elm} is not a valid element.')
+
+        self.redox[material_id] =  (buffer, oxidation_states)
+        self.external_timesteps = np.unique(np.concatenate(
+                    [self.external_timesteps, timesteps]))
 
 class ExternalSourceRates(ExternalRates):
     """Class for defining external source rates.
diff --git a/tests/regression_tests/deplete_with_transfer_rates/ref_depletion_with_ext_source.h5 b/tests/regression_tests/deplete_with_transfer_rates/ref_depletion_with_ext_source.h5
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diff --git a/tests/regression_tests/deplete_with_transfer_rates/ref_depletion_with_removal.h5 b/tests/regression_tests/deplete_with_transfer_rates/ref_depletion_with_removal.h5
index 3d48105d7b444cc16f5b6438f97f897d2c1657fd..c3121a9535097cbd3bc2457b664ff774ca654e2c 100644
GIT binary patch
delta 670
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delta 670
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diff --git a/tests/regression_tests/deplete_with_transfer_rates/ref_depletion_with_removal_and_redox.h5 b/tests/regression_tests/deplete_with_transfer_rates/ref_depletion_with_removal_and_redox.h5
new file mode 100644
index 0000000000000000000000000000000000000000..80ce771fceae774cd606fef7888c325128b7462f
GIT binary patch
literal 37328
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literal 0
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diff --git a/tests/regression_tests/deplete_with_transfer_rates/ref_depletion_with_transfer.h5 b/tests/regression_tests/deplete_with_transfer_rates/ref_depletion_with_transfer.h5
index 97855478ca4d73ff5c858121166ffe22c63962f4..2a4c227bb656bcd631e26dca5b32ce8d124d7922 100644
GIT binary patch
delta 709
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delta 709
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diff --git a/tests/regression_tests/deplete_with_transfer_rates/ref_depletion_with_transfer_and_redox.h5 b/tests/regression_tests/deplete_with_transfer_rates/ref_depletion_with_transfer_and_redox.h5
new file mode 100644
index 0000000000000000000000000000000000000000..6847fd7dfe6960da89a0e4fdf0be9f35eb56d7f4
GIT binary patch
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z2mwMMnF!o^sPU<17Mu(`msRRpaoL-9c}M9VTTk!F8>=zTlsxU8^W+pC+UtJBk@4iN
zL0vv_e%afbU*4zxYvPejKS+7_&>X$JY<Et}mUBPT<<E5<``y_!Ze3n=|IU9M?Ox++
z>dbic%CD|?GY{5&uzt|(dwg(`^!=A|ePx^4R$lzWRqyuitlk#cf5!Wc=lGVQ99i$b
zq$)i7`CWGXU!HFJ#o(1io>twT87~yPf3$sxuK&h=C%e{MIHJo9c@?uyzP?<Se=q&>
zo-e*upvzmk7Crxu=9Rj<xI1HCW;jci?@asNwA*?Ib2h&FZ2#)6AL)K*c)9-V*UCsp
zE9Jaz<k*j0n05R?Pv9$GnsPokXMUh>pykxczpo11d+hPaJ?rNOK3WvHuj#LCf$R+r
z<o>ei+}f94lM242tgqwOAD!#`(3{tB>8_avhpg|0*?XVqjC{Cu&)4$X-Z-2Q`0UK^
z37hx*wc5C&_&RaaSvc<zr#_$N^PN-o2mhwa4<8TYyjf+e?*}`7x^c%Ym)^cJExYI)
zZ<{W^`sj=UKU}>~m+!B*)R6zg8sFK*x6a;uius)TPcP`YYoX8n!k;T#-MPN0KR@|I
z%A3p=E=@bM=dCl|3tRiVoBHSK{g2*v<&I}-Q*>Pa^K|#04sL1F*LU9OS(n}mF4pxA
zyu0}Ji3?xU<p=s-JaO-rSLkxx#77@`{l^=1xv#6k_jY8JE+78QE62JX^62t=OAj3W
YN#<bA^xOSYzWdT%?gy?bmP6L}f6h)@j{pDw

literal 0
HcmV?d00001

diff --git a/tests/regression_tests/deplete_with_transfer_rates/ref_no_depletion_only_feed.h5 b/tests/regression_tests/deplete_with_transfer_rates/ref_no_depletion_only_feed.h5
index 70a4a3d67a513287b449b1afb36556bf48bbff7b..af673334065815b809fe7cb023a1f705030d6e66 100644
GIT binary patch
delta 37
scmcbxnCZe|rVS2#j53=Y`&KhD+ZElMoaib)@q*B1g$ZjIS%7?d040VF=Kufz

delta 37
scmcbxnCZe|rVS2#jIx^@`&KhDKUg+ta-ysJ#0x^36(+1<WC8N+0W-Z21^@s6

diff --git a/tests/regression_tests/deplete_with_transfer_rates/ref_no_depletion_only_removal.h5 b/tests/regression_tests/deplete_with_transfer_rates/ref_no_depletion_only_removal.h5
index b41218a9b295a14f08c076e026adb858b4cb5b0b..59c65427c010e18721f37fde0743a214e478e5dc 100644
GIT binary patch
delta 37
scmcbxnCZe|rVS2#j53=Y`&KhDy9yndoaib)@q*B1g$ZjIS%7?d031pV3jhEB

delta 37
scmcbxnCZe|rVS2#jIx^@`&KhDdwiWVInh;q;sv423KP~avH<z^04zrjbN~PV

diff --git a/tests/regression_tests/deplete_with_transfer_rates/ref_no_depletion_with_ext_source.h5 b/tests/regression_tests/deplete_with_transfer_rates/ref_no_depletion_with_ext_source.h5
index 71bfdae11234c73d8c7e38e2f6883813cf73f85e..cceb7fc780afa342f0ffb926eb72c2657d64f73c 100644
GIT binary patch
delta 37
scmcbxnCZe|rVS2#j53=Y`&KhDZ&x}xInh;q;sv423KP~avH<z^04Qz`5dZ)H

delta 37
scmcbxnCZe|rVS2#jIx^@`&KhDXXH+qoaib)@q*B1g$ZjIS%7?d03*K+r~m)}

diff --git a/tests/regression_tests/deplete_with_transfer_rates/ref_no_depletion_with_transfer.h5 b/tests/regression_tests/deplete_with_transfer_rates/ref_no_depletion_with_transfer.h5
index ccf92b39915aa425b0a6746905f23038985196fe..a1c0e5b41578910c4f5146f00a665e52580d417d 100644
GIT binary patch
delta 37
scmcbxnCZe|rVS2#j53=Y`&KhDCuo#SPIQ%@ctL2h!h|)9EI__J02-bR(EtDd

delta 37
scmcbxnCZe|rVS2#jIx^@`&KhDGh{_hPIQ%@ctL2h!h|)9EI__J02Lt(TmS$7

diff --git a/tests/regression_tests/deplete_with_transfer_rates/test.py b/tests/regression_tests/deplete_with_transfer_rates/test.py
index 9784a07f6..461287f6e 100644
--- a/tests/regression_tests/deplete_with_transfer_rates/test.py
+++ b/tests/regression_tests/deplete_with_transfer_rates/test.py
@@ -12,7 +12,6 @@ from openmc.deplete import CoupledOperator
 from tests.regression_tests import config, assert_reaction_rates_equal, \
     assert_atoms_equal
 
-
 @pytest.fixture
 def model():
     openmc.reset_auto_ids()
@@ -54,6 +53,9 @@ def model():
     (-1e-5, None, 174.0, 'depletion_with_feed'),
     (-1e-5, 'w', 0.0, 'no_depletion_with_transfer'),
     (1e-5, 'w', 174.0, 'depletion_with_transfer'),
+    (0.0, None, 174.0, 'depletion_with_redox'),
+    (1e-5, None, 174.0, 'depletion_with_removal_and_redox'),
+    (1e-5, 'w', 174.0, 'depletion_with_transfer_and_redox'),
     ])
 def test_transfer_rates(run_in_tmpdir, model, rate, dest_mat, power, ref_result):
     """Tests transfer_rates depletion class with transfer rates"""
@@ -61,13 +63,18 @@ def test_transfer_rates(run_in_tmpdir, model, rate, dest_mat, power, ref_result)
     chain_file = Path(__file__).parents[2] / 'chain_simple.xml'
 
     transfer_elements = ['Xe']
+    os = {'I': -1, 'Xe':0, 'Cs': 1, 'Gd': 3, 'U': 4}
 
     op = CoupledOperator(model, chain_file)
     op.round_number = True
     integrator = openmc.deplete.PredictorIntegrator(
         op, [1], power, timestep_units = 'd')
-    integrator.add_transfer_rate('f', transfer_elements, rate,
-                                 destination_material=dest_mat)
+    if rate != 0.0:
+        integrator.add_transfer_rate('f', transfer_elements, rate,
+                                    destination_material=dest_mat)
+    if 'redox' in ref_result.split('_'):
+        integrator.add_redox('f', {'Gd157':1}, os)
+
     integrator.integrate()
 
     # Get path to test and reference results
@@ -83,9 +90,8 @@ def test_transfer_rates(run_in_tmpdir, model, rate, dest_mat, power, ref_result)
     res_ref = openmc.deplete.Results(path_reference)
     res_test = openmc.deplete.Results(path_test)
 
-    assert_atoms_equal(res_ref, res_test)
-    assert_reaction_rates_equal(res_ref, res_test)
-
+    assert_atoms_equal(res_ref, res_test, tol=1e-3)
+    assert_reaction_rates_equal(res_ref, res_test, tol=1e-3)
 
 @pytest.mark.parametrize("rate, power, ref_result", [
     (1e-1, 0.0, 'no_depletion_with_ext_source'),
@@ -118,5 +124,5 @@ def test_external_source_rates(run_in_tmpdir, model, rate, power, ref_result):
     res_ref = openmc.deplete.Results(path_reference)
     res_test = openmc.deplete.Results(path_test)
 
-    assert_atoms_equal(res_ref, res_test)
-    assert_reaction_rates_equal(res_ref, res_test)
+    assert_atoms_equal(res_ref, res_test, tol=1e-3)
+    assert_reaction_rates_equal(res_ref, res_test, tol=1e-3)
diff --git a/tests/unit_tests/test_deplete_transfer_rates.py b/tests/unit_tests/test_deplete_transfer_rates.py
index a3228e9fb..a6dcb2b27 100644
--- a/tests/unit_tests/test_deplete_transfer_rates.py
+++ b/tests/unit_tests/test_deplete_transfer_rates.py
@@ -198,3 +198,35 @@ def test_transfer(run_in_tmpdir, model):
     # Ensure number of atoms equal transfer decay
     assert atoms[1] == pytest.approx(atoms[0]*exp(-transfer_rate*3600*24))
     assert atoms[2] == pytest.approx(atoms[1]*exp(-transfer_rate*3600*24))
+
+@pytest.mark.parametrize("case_name, buffer, ox", [
+    ('redox', {'Gd157':1}, {'Gd': 3, 'U': 4}),
+    ('buffer_invalid', {'Gd158':1}, {'Gd': 3, 'U': 4}),
+    ('elm_invalid', {'Gd157':1}, {'Gb': 3, 'U': 4}),
+    ])
+def test_redox(case_name, buffer, ox, model):
+    op = CoupledOperator(model, CHAIN_PATH)
+    number_of_timesteps = 2
+    transfer = TransferRates(op, model.materials, number_of_timesteps)
+
+    # Test by Openmc material, material name and material id
+    material, dest_material, dest_material2 = [m for m in model.materials
+                                               if m.depletable]
+    for material_input in [material, material.name, material.id]:
+        for dest_material_input in [dest_material, dest_material.name,
+                                    dest_material.id]:
+
+            if case_name == 'buffer_invalid':
+                with pytest.raises(ValueError, match='Gd158 is not a valid '
+                                   'nuclide.'):
+                    transfer.set_redox(material_input, buffer, ox)
+
+            elif case_name == 'elm_invalid':
+                with pytest.raises(ValueError, match='Gb is not a valid '
+                                   'element.'):
+                    transfer.set_redox(material_input, buffer, ox)
+            else:
+                transfer.set_redox(material_input, buffer, ox)
+                mat_id = transfer._get_material_id(material_input)
+                assert transfer.redox[mat_id][0] == buffer
+                assert transfer.redox[mat_id][1] == ox

From cd5cd35ad9ff9e0e011b9b85c2bb978ba978ed49 Mon Sep 17 00:00:00 2001
From: Michel Saliba <168624841+saliba170499@users.noreply.github.com>
Date: Thu, 13 Nov 2025 21:35:33 +0100
Subject: [PATCH 2433/2654] Addition of a collision tracking feature (#3417)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 CMakeLists.txt                                |   1 +
 docs/source/io_formats/collision_track.rst    |  46 ++++
 docs/source/io_formats/index.rst              |   1 +
 docs/source/io_formats/settings.rst           |  79 ++++++
 docs/source/pythonapi/base.rst                |   3 +
 docs/source/usersguide/settings.rst           |  56 ++++
 include/openmc/bank.h                         |   2 +
 include/openmc/bank_io.h                      | 103 +++++++
 include/openmc/collision_track.h              |  23 ++
 include/openmc/constants.h                    |   1 +
 include/openmc/mcpl_interface.h               |  15 ++
 include/openmc/message_passing.h              |   1 +
 include/openmc/particle_data.h                |  19 ++
 include/openmc/settings.h                     |  20 ++
 include/openmc/simulation.h                   |   1 +
 include/openmc/urr.h                          |   8 +-
 openmc/settings.py                            | 246 ++++++++++++++---
 openmc/source.py                              | 175 ++++++++++--
 src/bank.cpp                                  |   3 +
 src/collision_track.cpp                       | 238 ++++++++++++++++
 src/finalize.cpp                              |   5 +
 src/initialize.cpp                            |  31 +++
 src/mcpl_interface.cpp                        | 155 +++++++++++
 src/message_passing.cpp                       |   1 +
 src/particle.cpp                              |   6 +
 src/physics.cpp                               |   5 +-
 src/settings.cpp                              |  76 +++++-
 src/simulation.cpp                            |  13 +-
 src/state_point.cpp                           |  90 +------
 .../collision_track/__init__.py               |   0
 .../case_1_Reactions/inputs_true.dat          |  58 ++++
 .../case_1_Reactions/results_true.dat         |   2 +
 .../case_2_Cell_ID/inputs_true.dat            |  58 ++++
 .../case_2_Cell_ID/results_true.dat           |   2 +
 .../case_3_Material_ID/inputs_true.dat        |  58 ++++
 .../case_3_Material_ID/results_true.dat       |   2 +
 .../case_4_Nuclide_ID/inputs_true.dat         |  58 ++++
 .../case_4_Nuclide_ID/results_true.dat        |   2 +
 .../case_5_Universe_ID/inputs_true.dat        |  59 ++++
 .../case_5_Universe_ID/results_true.dat       |   2 +
 .../inputs_true.dat                           |  58 ++++
 .../results_true.dat                          |   2 +
 .../inputs_true.dat                           |  63 +++++
 .../results_true.dat                          |   2 +
 .../case_8_2threads/inputs_true.dat           |  57 ++++
 .../case_8_2threads/results_true.dat          |   2 +
 .../regression_tests/collision_track/test.py  | 255 ++++++++++++++++++
 tests/testing_harness.py                      | 126 ++++++++-
 tests/unit_tests/test_collision_track.py      | 127 +++++++++
 49 files changed, 2268 insertions(+), 148 deletions(-)
 create mode 100644 docs/source/io_formats/collision_track.rst
 create mode 100644 include/openmc/bank_io.h
 create mode 100644 include/openmc/collision_track.h
 create mode 100644 src/collision_track.cpp
 create mode 100644 tests/regression_tests/collision_track/__init__.py
 create mode 100644 tests/regression_tests/collision_track/case_1_Reactions/inputs_true.dat
 create mode 100644 tests/regression_tests/collision_track/case_1_Reactions/results_true.dat
 create mode 100644 tests/regression_tests/collision_track/case_2_Cell_ID/inputs_true.dat
 create mode 100644 tests/regression_tests/collision_track/case_2_Cell_ID/results_true.dat
 create mode 100644 tests/regression_tests/collision_track/case_3_Material_ID/inputs_true.dat
 create mode 100644 tests/regression_tests/collision_track/case_3_Material_ID/results_true.dat
 create mode 100644 tests/regression_tests/collision_track/case_4_Nuclide_ID/inputs_true.dat
 create mode 100644 tests/regression_tests/collision_track/case_4_Nuclide_ID/results_true.dat
 create mode 100644 tests/regression_tests/collision_track/case_5_Universe_ID/inputs_true.dat
 create mode 100644 tests/regression_tests/collision_track/case_5_Universe_ID/results_true.dat
 create mode 100644 tests/regression_tests/collision_track/case_6_deposited_energy_threshold/inputs_true.dat
 create mode 100644 tests/regression_tests/collision_track/case_6_deposited_energy_threshold/results_true.dat
 create mode 100644 tests/regression_tests/collision_track/case_7_all_parameters_used_together/inputs_true.dat
 create mode 100644 tests/regression_tests/collision_track/case_7_all_parameters_used_together/results_true.dat
 create mode 100644 tests/regression_tests/collision_track/case_8_2threads/inputs_true.dat
 create mode 100644 tests/regression_tests/collision_track/case_8_2threads/results_true.dat
 create mode 100644 tests/regression_tests/collision_track/test.py
 create mode 100644 tests/unit_tests/test_collision_track.py

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 474451c8a..87b8789d1 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -338,6 +338,7 @@ list(APPEND libopenmc_SOURCES
   src/cell.cpp
   src/chain.cpp
   src/cmfd_solver.cpp
+  src/collision_track.cpp
   src/cross_sections.cpp
   src/dagmc.cpp
   src/distribution.cpp
diff --git a/docs/source/io_formats/collision_track.rst b/docs/source/io_formats/collision_track.rst
new file mode 100644
index 000000000..a36459754
--- /dev/null
+++ b/docs/source/io_formats/collision_track.rst
@@ -0,0 +1,46 @@
+.. _io_collision_track:
+
+===========================
+Collision Track File Format
+===========================
+
+When collision tracking is enabled with ``mcpl=false`` (the default), OpenMC
+writes binary data to an HDF5 file named ``collision_track.h5``. The same data
+may also be written after each batch when multiple files are requested
+(``collision_track.N.h5``) or when the run is performed in parallel. The file
+contains the information needed to reconstruct each recorded collision.
+
+The current revision of the collision track file format is 1.0.
+
+**/**
+
+:Attributes:
+            - **filetype** (*char[]*) -- String indicating the type of file.
+              For collision-track files the value is ``"collision_track"``.
+
+:Datasets:
+
+          - **collision_track_bank** (Compound type) -- Collision information
+            for each stored event. Each entry in the dataset corresponds to one
+            collision and contains the following fields:
+
+              - ``r`` (*double[3]*) -- Position of the collision in [cm].
+              - ``u`` (*double[3]*) -- Direction unit vector immediately after the collision.
+              - ``E`` (*double*) -- Incident particle energy before the collision in [eV].
+              - ``dE`` (*double*) -- Energy loss over the collision (:math:`E_\text{before} - E_\text{after}`) in [eV].
+              - ``time`` (*double*) -- Time of the collision in [s].
+              - ``wgt`` (*double*) -- Particle weight at the collision.
+              - ``event_mt`` (*int*) -- ENDF MT number identifying the reaction.
+              - ``delayed_group`` (*int*) -- Delayed neutron group index (non-zero for delayed events).
+              - ``cell_id`` (*int*) -- ID of the cell in which the collision occurred.
+              - ``nuclide_id`` (*int*) -- ZA identifier of the nuclide (ZZZAAAM format).
+              - ``material_id`` (*int*) -- ID of the material containing the collision site.
+              - ``universe_id`` (*int*) -- ID of the universe containing the collision site.
+              - ``n_collision`` (*int*) -- Collision counter for the particle history.
+              - ``particle`` (*int*) -- Particle type (0=neutron, 1=photon, 2=electron, 3=positron).
+              - ``parent_id`` (*int64*) -- Unique ID of the parent particle.
+              - ``progeny_id`` (*int64*) -- Progeny ID of the particle.
+
+In an MPI run, OpenMC writes the combined dataset by gathering collision-track
+entries from all ranks before flushing them to disk, so the final file appears
+as though it were produced serially.
diff --git a/docs/source/io_formats/index.rst b/docs/source/io_formats/index.rst
index 4bbaa961a..5b4efea66 100644
--- a/docs/source/io_formats/index.rst
+++ b/docs/source/io_formats/index.rst
@@ -44,6 +44,7 @@ Output Files
 
    statepoint
    source
+   collision_track
    summary
    properties
    depletion_results
diff --git a/docs/source/io_formats/settings.rst b/docs/source/io_formats/settings.rst
index 720846c85..b7874fcf2 100644
--- a/docs/source/io_formats/settings.rst
+++ b/docs/source/io_formats/settings.rst
@@ -20,6 +20,85 @@ source neutrons.
 
   *Default*: None
 
+-----------------------------
+``<collision_track>`` Element
+-----------------------------
+
+The ``<collision_track>`` element indicates to track information about particle
+collisions based on a set of criteria and store these events in a file named
+``collision_track.h5``. This file records details such as the position of the
+interaction, direction of the incoming particle, incident energy and deposited
+energy, weight, time of the interaction, and the delayed neutron group (0 for
+prompt neutrons). Additional information such as the cell ID, material ID,
+universe ID, nuclide ZAID, particle type, and event MT number are also stored.
+Users can specify one or more criterion to filter collisions. If no criteria are
+specified, it defaults to tracking all collisions across the model.
+
+.. warning::
+    Storing all collisions can be very memory intensive. For more targeted
+    tracking, users can employ a variety of parameters such as ``cell_ids``,
+    ``reactions``, ``universe_ids``, ``material_ids``, ``nuclides``, and
+    ``deposited_E_threshold`` to refine the selection of particle interactions
+    to be banked.
+
+This element can contain one or more of the following attributes or
+sub-elements:
+
+  :max_collisions:
+    An integer indicating the maximum number of collisions to be banked per file.
+
+    *Default*: 1000
+
+  :max_collision_track_files:
+    An integer indicating the number of collision_track files to be used.
+
+    *Default*: 1
+
+  :mcpl:
+    An optional boolean to enable MCPL_-format instead of the native HDF5-based
+    format. If activated, the output file name and type is changed to
+    ``collision_track.mcpl``.
+
+    *Default*: false
+
+    .. _MCPL: https://mctools.github.io/mcpl/mcpl.pdf
+
+  :cell_ids:
+    A list of integers representing cell IDs to define specific cells in which
+    collisions are to be banked.
+
+    *Default*: None
+
+  :universe_ids:
+    A list of integers representing the universe IDs to define specific
+    universes in which collisions are to be banked.
+
+    *Default*: None
+
+  :material_ids:
+    A list of integers representing the material IDs to define specific
+    materials in which collisions are to be banked.
+
+    *Default*: None
+
+  :nuclides:
+    A list of strings representing the nuclide, to define specific
+    define specific target nuclide collisions to be banked.
+
+    *Default*: None
+
+  :reactions:
+    A list of integers representing the ENDF-6 format MT numbers or strings
+    (e.g. (n,fission)) to define specific reaction types to be banked.
+
+    *Default*: None
+
+  :deposited_E_threshold:
+    A float defining the minimum deposited energy per collision (in eV) to
+    trigger banking.
+
+    *Default*: 0.0
+
 ----------------------------------
 ``<confidence_intervals>`` Element
 ----------------------------------
diff --git a/docs/source/pythonapi/base.rst b/docs/source/pythonapi/base.rst
index 2a9d0876c..ce2f6f0f8 100644
--- a/docs/source/pythonapi/base.rst
+++ b/docs/source/pythonapi/base.rst
@@ -216,6 +216,9 @@ Post-processing
    :nosignatures:
    :template: myfunction.rst
 
+   openmc.read_collision_track_file
+   openmc.read_collision_track_hdf5
+   openmc.read_collision_track_mcpl
    openmc.voxel_to_vtk
 
 The following classes and functions are used for functional expansion reconstruction.
diff --git a/docs/source/usersguide/settings.rst b/docs/source/usersguide/settings.rst
index 1b2d4bc1a..f973f1465 100644
--- a/docs/source/usersguide/settings.rst
+++ b/docs/source/usersguide/settings.rst
@@ -756,6 +756,62 @@ instance, whereas the :meth:`openmc.Track.filter` method returns a new
             track_files = [f"tracks_p{rank}.h5" for rank in range(32)]
             openmc.Tracks.combine(track_files, "tracks.h5")
 
+Collision Track File
+---------------------
+
+OpenMC can generate a collision track file that contains detailed collision
+information (position, direction, energy, deposited energy, time, weight, cell
+ID, material ID, universe ID, nuclide ZAID, particle type, particle delayed
+group and particle ID) for each particle collision depending on user-defined
+parameters. To invoke this feature, set the
+:attr:`~openmc.Settings.collision_track` attribute as shown in this example::
+
+  settings.collision_track = {
+      "max_collisions": 300,
+      "reactions": ["(n,fission)", "(n,2n)"],
+      "material_ids": [1,2],
+      "nuclides": ["U238", "O16"],
+      "cell_ids": [5, 12]
+  }
+
+In this example, collision track information is written to the
+collision_track.h5 file at the end of the simulation. The file contains
+300 recorded collisions that occurred in materials with IDs 1 or 2, involving
+fission or (n,2n) reactions on the nuclides U-238 or O-16, within cells
+with IDs 5 and 12.
+The file can be read using :func:`openmc.read_collision_track_file`.
+The example below shows how to extract the data from the collision_track
+feature and displays the fields stored in the file:
+
+>>> data = openmc.read_collision_track_file('collision_track.h5')
+>>> data.dtype
+    dtype([('r', [('x', '<f8'), ('y', '<f8'), ('z', '<f8')]),
+    ('u', [('x', '<f8'), ('y', '<f8'), ('z', '<f8')]), ('E', '<f8'),
+    ('dE', '<f8'), ('time', '<f8'), ('wgt', '<f8'), ('event_mt', '<i4'),
+    ('delayed_group', '<i4'), ('cell_id', '<i4'), ('nuclide_id', '<i4'),
+    ('material_id', '<i4'), ('universe_id', '<i4'), ('n_collision', '<i4'),
+    ('particle', '<i4'), ('parent_id', '<i8'), ('progeny_id', '<i8')])
+
+
+The full list of fields is as follows:
+
+  :r: Position (each direction in [cm])
+  :u: Direction
+  :E: Energy in [eV]
+  :dE: Energy deposited during collision in [eV]
+  :time: Time in [s]
+  :wgt: Weight of the particle
+  :event_mt: Reaction MT number
+  :delayed_group: Delayed group of the particle
+  :cell_id: Cell ID
+  :nuclide_id: Nuclide ID (10000×Z + 10×A + M)
+  :material_id: Material ID
+  :universe_id: Universe ID
+  :n_collision: Number of collision suffered by the particle
+  :particle: Particle type
+  :parent_id: Source particle ID
+  :progeny_id: Progeny ID
+
 -----------------------
 Restarting a Simulation
 -----------------------
diff --git a/include/openmc/bank.h b/include/openmc/bank.h
index fd8fbd73e..c4e940bc8 100644
--- a/include/openmc/bank.h
+++ b/include/openmc/bank.h
@@ -20,6 +20,8 @@ extern vector<SourceSite> source_bank;
 
 extern SharedArray<SourceSite> surf_source_bank;
 
+extern SharedArray<CollisionTrackSite> collision_track_bank;
+
 extern SharedArray<SourceSite> fission_bank;
 
 extern vector<vector<int>> ifp_source_delayed_group_bank;
diff --git a/include/openmc/bank_io.h b/include/openmc/bank_io.h
new file mode 100644
index 000000000..90ffd820f
--- /dev/null
+++ b/include/openmc/bank_io.h
@@ -0,0 +1,103 @@
+#ifndef OPENMC_BANK_IO_H
+#define OPENMC_BANK_IO_H
+
+#include "hdf5.h"
+
+#include "openmc/message_passing.h"
+#include "openmc/span.h"
+#include "openmc/vector.h"
+
+#include <algorithm>
+
+#ifdef OPENMC_MPI
+#include <mpi.h>
+#endif
+
+namespace openmc {
+
+template<typename SiteType>
+void write_bank_dataset(const char* dataset_name, hid_t group_id,
+  span<SiteType> bank, const vector<int64_t>& bank_index, hid_t banktype
+#ifdef OPENMC_MPI
+  ,
+  MPI_Datatype mpi_dtype
+#endif
+)
+{
+  int64_t dims_size = bank_index.back();
+  int64_t count_size = bank_index[mpi::rank + 1] - bank_index[mpi::rank];
+
+#ifdef PHDF5
+  hsize_t dims[] {static_cast<hsize_t>(dims_size)};
+  hid_t dspace = H5Screate_simple(1, dims, nullptr);
+  hid_t dset = H5Dcreate(group_id, dataset_name, banktype, dspace, H5P_DEFAULT,
+    H5P_DEFAULT, H5P_DEFAULT);
+
+  hsize_t count[] {static_cast<hsize_t>(count_size)};
+  hid_t memspace = H5Screate_simple(1, count, nullptr);
+
+  hsize_t start[] {static_cast<hsize_t>(bank_index[mpi::rank])};
+  H5Sselect_hyperslab(dspace, H5S_SELECT_SET, start, nullptr, count, nullptr);
+
+  hid_t plist = H5Pcreate(H5P_DATASET_XFER);
+  H5Pset_dxpl_mpio(plist, H5FD_MPIO_COLLECTIVE);
+
+  H5Dwrite(dset, banktype, memspace, dspace, plist, bank.data());
+
+  H5Sclose(dspace);
+  H5Sclose(memspace);
+  H5Dclose(dset);
+  H5Pclose(plist);
+#else
+  if (mpi::master) {
+    hsize_t dims[] {static_cast<hsize_t>(dims_size)};
+    hid_t dspace = H5Screate_simple(1, dims, nullptr);
+    hid_t dset = H5Dcreate(group_id, dataset_name, banktype, dspace,
+      H5P_DEFAULT, H5P_DEFAULT, H5P_DEFAULT);
+
+#ifdef OPENMC_MPI
+    vector<SiteType> temp_bank {bank.begin(), bank.end()};
+#endif
+
+    for (int i = 0; i < mpi::n_procs; ++i) {
+      hsize_t count[] {static_cast<hsize_t>(bank_index[i + 1] - bank_index[i])};
+      hid_t memspace = H5Screate_simple(1, count, nullptr);
+
+#ifdef OPENMC_MPI
+      if (i > 0) {
+        MPI_Recv(bank.data(), count[0], mpi_dtype, i, i, mpi::intracomm,
+          MPI_STATUS_IGNORE);
+      }
+#endif
+
+      hid_t dspace_rank = H5Dget_space(dset);
+      hsize_t start[] {static_cast<hsize_t>(bank_index[i])};
+      H5Sselect_hyperslab(
+        dspace_rank, H5S_SELECT_SET, start, nullptr, count, nullptr);
+
+      H5Dwrite(dset, banktype, memspace, dspace_rank, H5P_DEFAULT, bank.data());
+
+      H5Sclose(memspace);
+      H5Sclose(dspace_rank);
+    }
+
+    H5Dclose(dset);
+
+#ifdef OPENMC_MPI
+    std::copy(temp_bank.begin(), temp_bank.end(), bank.begin());
+#endif
+  }
+#ifdef OPENMC_MPI
+  else {
+    if (!bank.empty()) {
+      MPI_Send(
+        bank.data(), bank.size(), mpi_dtype, 0, mpi::rank, mpi::intracomm);
+    }
+  }
+#endif
+#endif
+}
+
+} // namespace openmc
+
+#endif // OPENMC_BANK_IO_H
diff --git a/include/openmc/collision_track.h b/include/openmc/collision_track.h
new file mode 100644
index 000000000..208b8f6e1
--- /dev/null
+++ b/include/openmc/collision_track.h
@@ -0,0 +1,23 @@
+#ifndef OPENMC_COLLISION_TRACK_H
+#define OPENMC_COLLISION_TRACK_H
+
+#include <string>
+
+namespace openmc {
+
+class Particle;
+
+//! Reserve space in the collision track bank according to user settings.
+void collision_track_reserve_bank();
+
+//! Write collision track data to disk when the bank is full or the batch ends.
+void collision_track_flush_bank();
+
+//! Record the current particle as a collision-track entry when applicable.
+//!
+//! \param particle Particle whose collision should be recorded if eligible
+void collision_track_record(Particle& particle);
+
+} // namespace openmc
+
+#endif // OPENMC_COLLISION_TRACK_H
diff --git a/include/openmc/constants.h b/include/openmc/constants.h
index b66193481..bba260c3a 100644
--- a/include/openmc/constants.h
+++ b/include/openmc/constants.h
@@ -34,6 +34,7 @@ constexpr array<int, 2> VERSION_VOXEL {2, 0};
 constexpr array<int, 2> VERSION_MGXS_LIBRARY {1, 0};
 constexpr array<int, 2> VERSION_PROPERTIES {1, 1};
 constexpr array<int, 2> VERSION_WEIGHT_WINDOWS {1, 0};
+constexpr array<int, 2> VERSION_COLLISION_TRACK {1, 0};
 
 // ============================================================================
 // ADJUSTABLE PARAMETERS
diff --git a/include/openmc/mcpl_interface.h b/include/openmc/mcpl_interface.h
index a76d72e64..a9cce3e69 100644
--- a/include/openmc/mcpl_interface.h
+++ b/include/openmc/mcpl_interface.h
@@ -38,6 +38,21 @@ vector<SourceSite> mcpl_source_sites(std::string path);
 void write_mcpl_source_point(const char* filename, span<SourceSite> source_bank,
   const vector<int64_t>& bank_index);
 
+//! Write an MCPL collision track file
+//!
+//! This function writes collision track data to an MCPL file. Additional
+//! collision-specific metadata (such as energy deposition, material info, etc.)
+//! is stored in the file header as blob data.
+//!
+//! \param[in] filename     Path to MCPL file
+//! \param[in] collision_track_bank  Vector of CollisionTrackSites to write to
+//!                         file for this MPI rank.
+//! \param[in] bank_index   Pointer to vector of site index ranges over all
+//!                         MPI ranks.
+void write_mcpl_collision_track(const char* filename,
+  span<CollisionTrackSite> collision_track_bank,
+  const vector<int64_t>& bank_index);
+
 //! Check if MCPL functionality is available
 bool is_mcpl_interface_available();
 
diff --git a/include/openmc/message_passing.h b/include/openmc/message_passing.h
index a1641a906..ce993776b 100644
--- a/include/openmc/message_passing.h
+++ b/include/openmc/message_passing.h
@@ -18,6 +18,7 @@ extern bool master;
 
 #ifdef OPENMC_MPI
 extern MPI_Datatype source_site;
+extern MPI_Datatype collision_track_site;
 extern MPI_Comm intracomm;
 #endif
 
diff --git a/include/openmc/particle_data.h b/include/openmc/particle_data.h
index 5383487d4..fdacfa765 100644
--- a/include/openmc/particle_data.h
+++ b/include/openmc/particle_data.h
@@ -56,6 +56,25 @@ struct SourceSite {
   int64_t progeny_id;
 };
 
+struct CollisionTrackSite {
+  Position r;
+  Direction u;
+  double E;
+  double dE;
+  double time {0.0};
+  double wgt {1.0};
+  int event_mt {0};
+  int delayed_group {0};
+  int cell_id {0};
+  int nuclide_id;
+  int material_id {0};
+  int universe_id {0};
+  int n_collision {0};
+  ParticleType particle;
+  int64_t parent_id;
+  int64_t progeny_id;
+};
+
 //! State of a particle used for particle track files
 struct TrackState {
   Position r;           //!< Position in [cm]
diff --git a/include/openmc/settings.h b/include/openmc/settings.h
index 78bfa088e..b369c99fe 100644
--- a/include/openmc/settings.h
+++ b/include/openmc/settings.h
@@ -32,6 +32,24 @@ enum class IFPParameter {
   GenerationTime,
 };
 
+struct CollisionTrackConfig {
+  bool mcpl_write {false}; //!< Write collision tracks using MCPL?
+  std::unordered_set<int>
+    cell_ids; //!< Cell ids where collisions will be written
+  std::unordered_set<int>
+    mt_numbers; //!< MT Numbers where collisions will be written
+  std::unordered_set<int>
+    universe_ids; //!< Universe IDs where collisions will be written
+  std::unordered_set<int>
+    material_ids; //!< Material IDs where collisions will be written
+  std::unordered_set<std::string>
+    nuclides; //!< Nuclides where collisions will be written
+  double deposited_energy_threshold {0.0}; //!< Minimum deposited energy [eV]
+  int64_t max_collisions {
+    1000};               //!< Maximum events recorded per collision track file
+  int64_t max_files {1}; //!< Maximum number of collision track files
+};
+
 //==============================================================================
 // Global variable declarations
 //==============================================================================
@@ -41,6 +59,7 @@ namespace settings {
 // Boolean flags
 extern bool assume_separate;      //!< assume tallies are spatially separate?
 extern bool check_overlaps;       //!< check overlaps in geometry?
+extern bool collision_track;      //!< flag to use collision track feature?
 extern bool confidence_intervals; //!< use confidence intervals for results?
 extern bool
   create_fission_neutrons; //!< create fission neutrons (fixed source)?
@@ -145,6 +164,7 @@ extern std::unordered_set<int>
   statepoint_batch; //!< Batches when state should be written
 extern std::unordered_set<int>
   source_write_surf_id; //!< Surface ids where sources will be written
+extern CollisionTrackConfig collision_track_config;
 extern double source_rejection_fraction; //!< Minimum fraction of source sites
                                          //!< that must be accepted
 extern double free_gas_threshold;        //!< Threshold multiplier for free gas
diff --git a/include/openmc/simulation.h b/include/openmc/simulation.h
index 3e4e24e1d..9a6cf1b21 100644
--- a/include/openmc/simulation.h
+++ b/include/openmc/simulation.h
@@ -22,6 +22,7 @@ constexpr int STATUS_EXIT_ON_TRIGGER {2};
 
 namespace simulation {
 
+extern int ct_current_file;   //!< current collision track file index
 extern "C" int current_batch; //!< current batch
 extern "C" int current_gen;   //!< current fission generation
 extern "C" bool initialized;  //!< has simulation been initialized?
diff --git a/include/openmc/urr.h b/include/openmc/urr.h
index 3978c7b86..1e6037158 100644
--- a/include/openmc/urr.h
+++ b/include/openmc/urr.h
@@ -27,10 +27,10 @@ public:
     double heating;
   };
 
-  Interpolation interp_;          //!< interpolation type
-  int inelastic_flag_;            //!< inelastic competition flag
-  int absorption_flag_;           //!< other absorption flag
-  bool multiply_smooth_;          //!< multiply by smooth cross section?
+  Interpolation interp_; //!< interpolation type
+  int inelastic_flag_;   //!< inelastic competition flag
+  int absorption_flag_;  //!< other absorption flag
+  bool multiply_smooth_; //!< multiply by smooth cross section?
 
   vector<double> energy_; //!< incident energies
   auto n_energy() const { return energy_.size(); }
diff --git a/openmc/settings.py b/openmc/settings.py
index 2f8a2b124..43c1fe069 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -6,7 +6,7 @@ from numbers import Integral, Real
 from pathlib import Path
 
 import lxml.etree as ET
-
+import warnings
 import openmc
 import openmc.checkvalue as cv
 from openmc.checkvalue import PathLike
@@ -47,6 +47,21 @@ class Settings:
         half-width of the 95% two-sided confidence interval. If False,
         uncertainties on tally results will be reported as the sample standard
         deviation.
+    collision_track : dict
+        Options for writing collision information. Acceptable keys are:
+
+        :max_collisions: Maximum number of collisions to be banked per file. (int)
+        :max_collision_track_files: Maximum number of collision_track files. (int)
+        :mcpl: Output in the form of an MCPL-file. (bool)
+        :cell_ids: List of cell IDs to define cells in which collisions should be banked. (list of int)
+        :universe_ids: List of universe IDs to define universes in which collisions should be banked. (list of int)
+        :material_ids: List of material IDs to define materials in which collisions should be banked. (list of int)
+        :nuclides: List of nuclides to define nuclides in which collisions should be banked.
+                    (ex: ["I135m", "U233"] ). (list of str)
+        :reactions: List of reaction to define specific reactions that should be banked
+                    (ex: ["(n,fission)", 2, "(n,2n)"] ). (list of str or int)
+        :deposited_E_threshold: Number to define the minimum deposited energy during
+                     per collision to trigger banking. (float)
     create_fission_neutrons : bool
         Indicate whether fission neutrons should be created or not.
     cutoff : dict
@@ -395,6 +410,9 @@ class Settings:
         # Iterated Fission Probability
         self._ifp_n_generation = None
 
+        # Collision track feature
+        self._collision_track = {}
+
         # Output options
         self._statepoint = {}
         self._sourcepoint = {}
@@ -434,7 +452,8 @@ class Settings:
         self._max_particle_events = None
         self._write_initial_source = None
         self._weight_windows = WeightWindowsList()
-        self._weight_window_generators = cv.CheckedList(WeightWindowGenerator, 'weight window generators')
+        self._weight_window_generators = cv.CheckedList(
+            WeightWindowGenerator, 'weight window generators')
         self._weight_windows_on = None
         self._weight_windows_file = None
         self._weight_window_checkpoints = {}
@@ -475,8 +494,9 @@ class Settings:
 
     @generations_per_batch.setter
     def generations_per_batch(self, generations_per_batch: int):
-        cv.check_type('generations per patch', generations_per_batch, Integral)
-        cv.check_greater_than('generations per batch', generations_per_batch, 0)
+        cv.check_type('generations per batch', generations_per_batch, Integral)
+        cv.check_greater_than('generations per batch',
+                              generations_per_batch, 0)
         self._generations_per_batch = generations_per_batch
 
     @property
@@ -506,7 +526,8 @@ class Settings:
     @rel_max_lost_particles.setter
     def rel_max_lost_particles(self, rel_max_lost_particles: float):
         cv.check_type('rel_max_lost_particles', rel_max_lost_particles, Real)
-        cv.check_greater_than('rel_max_lost_particles', rel_max_lost_particles, 0)
+        cv.check_greater_than('rel_max_lost_particles',
+                              rel_max_lost_particles, 0)
         cv.check_less_than('rel_max_lost_particles', rel_max_lost_particles, 1)
         self._rel_max_lost_particles = rel_max_lost_particles
 
@@ -516,8 +537,10 @@ class Settings:
 
     @max_write_lost_particles.setter
     def max_write_lost_particles(self, max_write_lost_particles: int):
-        cv.check_type('max_write_lost_particles', max_write_lost_particles, Integral)
-        cv.check_greater_than('max_write_lost_particles', max_write_lost_particles, 0)
+        cv.check_type('max_write_lost_particles',
+                      max_write_lost_particles, Integral)
+        cv.check_greater_than('max_write_lost_particles',
+                              max_write_lost_particles, 0)
         self._max_write_lost_particles = max_write_lost_particles
 
     @property
@@ -538,12 +561,12 @@ class Settings:
     def keff_trigger(self, keff_trigger: dict):
         if not isinstance(keff_trigger, dict):
             msg = f'Unable to set a trigger on keff from "{keff_trigger}" ' \
-                  'which is not a Python dictionary'
+                'which is not a Python dictionary'
             raise ValueError(msg)
 
         elif 'type' not in keff_trigger:
             msg = f'Unable to set a trigger on keff from "{keff_trigger}" ' \
-                  'which does not have a "type" key'
+                'which does not have a "type" key'
             raise ValueError(msg)
 
         elif keff_trigger['type'] not in ['variance', 'std_dev', 'rel_err']:
@@ -553,7 +576,7 @@ class Settings:
 
         elif 'threshold' not in keff_trigger:
             msg = f'Unable to set a trigger on keff from "{keff_trigger}" ' \
-                  'which does not have a "threshold" key'
+                'which does not have a "threshold" key'
             raise ValueError(msg)
 
         elif not isinstance(keff_trigger['threshold'], Real):
@@ -570,7 +593,7 @@ class Settings:
     @energy_mode.setter
     def energy_mode(self, energy_mode: str):
         cv.check_value('energy mode', energy_mode,
-                    ['continuous-energy', 'multi-group'])
+                       ['continuous-energy', 'multi-group'])
         self._energy_mode = energy_mode
 
     @property
@@ -593,7 +616,8 @@ class Settings:
     def source(self, source: SourceBase | Iterable[SourceBase]):
         if not isinstance(source, MutableSequence):
             source = [source]
-        self._source = cv.CheckedList(SourceBase, 'source distributions', source)
+        self._source = cv.CheckedList(
+            SourceBase, 'source distributions', source)
 
     @property
     def confidence_intervals(self) -> bool:
@@ -610,7 +634,8 @@ class Settings:
 
     @electron_treatment.setter
     def electron_treatment(self, electron_treatment: str):
-        cv.check_value('electron treatment', electron_treatment, ['led', 'ttb'])
+        cv.check_value('electron treatment',
+                       electron_treatment, ['led', 'ttb'])
         self._electron_treatment = electron_treatment
 
     @property
@@ -704,7 +729,8 @@ class Settings:
     @trigger_max_batches.setter
     def trigger_max_batches(self, trigger_max_batches: int):
         cv.check_type('trigger maximum batches', trigger_max_batches, Integral)
-        cv.check_greater_than('trigger maximum batches', trigger_max_batches, 0)
+        cv.check_greater_than('trigger maximum batches',
+                              trigger_max_batches, 0)
         self._trigger_max_batches = trigger_max_batches
 
     @property
@@ -713,8 +739,10 @@ class Settings:
 
     @trigger_batch_interval.setter
     def trigger_batch_interval(self, trigger_batch_interval: int):
-        cv.check_type('trigger batch interval', trigger_batch_interval, Integral)
-        cv.check_greater_than('trigger batch interval', trigger_batch_interval, 0)
+        cv.check_type('trigger batch interval',
+                      trigger_batch_interval, Integral)
+        cv.check_greater_than('trigger batch interval',
+                              trigger_batch_interval, 0)
         self._trigger_batch_interval = trigger_batch_interval
 
     @property
@@ -798,19 +826,22 @@ class Settings:
 
     @surf_source_write.setter
     def surf_source_write(self, surf_source_write: dict):
-        cv.check_type("surface source writing options", surf_source_write, Mapping)
+        cv.check_type("surface source writing options",
+                      surf_source_write, Mapping)
         for key, value in surf_source_write.items():
             cv.check_value(
                 "surface source writing key",
                 key,
-                ("surface_ids", "max_particles", "max_source_files", "mcpl", "cell", "cellfrom", "cellto"),
+                ("surface_ids", "max_particles", "max_source_files",
+                 "mcpl", "cell", "cellfrom", "cellto"),
             )
             if key == "surface_ids":
                 cv.check_type(
                     "surface ids for source banking", value, Iterable, Integral
                 )
                 for surf_id in value:
-                    cv.check_greater_than("surface id for source banking", surf_id, 0)
+                    cv.check_greater_than(
+                        "surface id for source banking", surf_id, 0)
 
             elif key == "mcpl":
                 cv.check_type("write to an MCPL-format file", value, bool)
@@ -827,6 +858,79 @@ class Settings:
 
         self._surf_source_write = surf_source_write
 
+    @property
+    def collision_track(self) -> dict:
+        return self._collision_track
+
+    @collision_track.setter
+    def collision_track(self, collision_track: dict):
+        cv.check_type('Collision tracking options', collision_track, Mapping)
+        for key, value in collision_track.items():
+            cv.check_value('collision_track key', key,
+                           ('cell_ids', 'reactions', 'universe_ids', 'material_ids', 'nuclides',
+                            'deposited_E_threshold', 'max_collisions', 'max_collision_track_files', 'mcpl'))
+            if key == 'cell_ids':
+                cv.check_type('cell ids for collision tracking data banking', value,
+                              Iterable, Integral)
+                for cell_id in value:
+                    cv.check_greater_than('cell id for collision tracking data banking',
+                                          cell_id, 0)
+            elif key == 'reactions':
+                cv.check_type('MT numbers for collision tracking data banking', value,
+                              Iterable)
+                for reaction in value:
+                    if isinstance(reaction, int):
+                        cv.check_greater_than(
+                            'MT number for collision tracking data banking', reaction, 0
+                        )
+                    elif isinstance(reaction, str):
+                        # check against allowed strings? so far let C++ code handle it
+                        pass
+                    else:
+                        raise TypeError(
+                            f"MT number for collision tracking data banking must be a positive int or string, "
+                            f"got {type(reaction).__name__}")
+            elif key == 'universe_ids':
+                cv.check_type('universe ids for collision tracking data banking', value,
+                              Iterable, Integral)
+                for universe_id in value:
+                    cv.check_greater_than('universe id for collision tracking data banking',
+                                          universe_id, 0)
+            elif key == 'material_ids':
+                cv.check_type('material ids for collision tracking data banking', value,
+                              Iterable, Integral)
+                for material_id in value:
+                    cv.check_greater_than('material id for collision tracking data banking',
+                                          material_id, 0)
+            elif key == 'nuclides':
+                cv.check_type('nuclides for collision tracking data banking', value,
+                              Iterable, str)
+                for nuclide in value:
+                    # If nuclide name doesn't look valid, give a warning
+                    try:
+                        openmc.data.zam(nuclide)
+                    except ValueError:
+                        warnings.warn(f"Nuclide {nuclide} is not valid")
+            elif key == 'deposited_E_threshold':
+                cv.check_type('Deposited Energy Threshold for collision tracking data banking',
+                              value, Real)
+                cv.check_greater_than('Deposited Energy Threshold for collision tracking data banking',
+                                      value, 0)
+            elif key == 'max_collisions':
+                cv.check_type('maximum collisions banks per file',
+                              value, Integral)
+                cv.check_greater_than('maximum collisions banks in collision tracking',
+                                      value, 0)
+            elif key == 'max_collision_track_files':
+                cv.check_type('maximum collisions banks',
+                              value, Integral)
+                cv.check_greater_than('maximum number of collision_track files ',
+                                      value, 0)
+            elif key == 'mcpl':
+                cv.check_type('write to an MCPL-format file', value, bool)
+
+        self._collision_track = collision_track
+
     @property
     def no_reduce(self) -> bool:
         return self._no_reduce
@@ -943,7 +1047,7 @@ class Settings:
     def cutoff(self, cutoff: dict):
         if not isinstance(cutoff, Mapping):
             msg = f'Unable to set cutoff from "{cutoff}" which is not a '\
-                  'Python dictionary'
+                'Python dictionary'
             raise ValueError(msg)
         for key in cutoff:
             if key == 'weight':
@@ -961,7 +1065,7 @@ class Settings:
                 cv.check_greater_than('energy cutoff', cutoff[key], 0.0)
             else:
                 msg = f'Unable to set cutoff to "{key}" which is unsupported ' \
-                      'by OpenMC'
+                    'by OpenMC'
 
         self._cutoff = cutoff
 
@@ -1130,12 +1234,14 @@ class Settings:
     @weight_window_checkpoints.setter
     def weight_window_checkpoints(self, weight_window_checkpoints: dict):
         for key in weight_window_checkpoints.keys():
-            cv.check_value('weight_window_checkpoints', key, ('collision', 'surface'))
+            cv.check_value('weight_window_checkpoints',
+                           key, ('collision', 'surface'))
         self._weight_window_checkpoints = weight_window_checkpoints
 
     @property
     def max_splits(self):
-        raise AttributeError('max_splits has been deprecated. Please use max_history_splits instead')
+        raise AttributeError(
+            'max_splits has been deprecated. Please use max_history_splits instead')
 
     @property
     def max_history_splits(self) -> int:
@@ -1184,7 +1290,8 @@ class Settings:
     def weight_window_generators(self, wwgs):
         if not isinstance(wwgs, MutableSequence):
             wwgs = [wwgs]
-        self._weight_window_generators = cv.CheckedList(WeightWindowGenerator, 'weight window generators', wwgs)
+        self._weight_window_generators = cv.CheckedList(
+            WeightWindowGenerator, 'weight window generators', wwgs)
 
     @property
     def random_ray(self) -> dict:
@@ -1221,7 +1328,8 @@ class Settings:
                 for mesh, domains in value:
                     cv.check_type('mesh', mesh, MeshBase)
                     cv.check_type('domains', domains, Iterable)
-                    valid_types = (openmc.Material, openmc.Cell, openmc.Universe)
+                    valid_types = (openmc.Material,
+                                   openmc.Cell, openmc.Universe)
                     for domain in domains:
                         if not isinstance(domain, valid_types):
                             raise ValueError(
@@ -1255,9 +1363,12 @@ class Settings:
 
     @source_rejection_fraction.setter
     def source_rejection_fraction(self, source_rejection_fraction: float):
-        cv.check_type('source_rejection_fraction', source_rejection_fraction, Real)
-        cv.check_greater_than('source_rejection_fraction', source_rejection_fraction, 0)
-        cv.check_less_than('source_rejection_fraction', source_rejection_fraction, 1)
+        cv.check_type('source_rejection_fraction',
+                      source_rejection_fraction, Real)
+        cv.check_greater_than('source_rejection_fraction',
+                              source_rejection_fraction, 0)
+        cv.check_less_than('source_rejection_fraction',
+                           source_rejection_fraction, 1)
         self._source_rejection_fraction = source_rejection_fraction
 
     @property
@@ -1422,6 +1533,45 @@ class Settings:
                     subelement = ET.SubElement(element, key)
                     subelement.text = str(self._surf_source_write[key])
 
+    def _create_collision_track_subelement(self, root):
+        if self._collision_track:
+            element = ET.SubElement(root, "collision_track")
+            if 'cell_ids' in self._collision_track:
+                subelement = ET.SubElement(element, "cell_ids")
+                subelement.text = ' '.join(
+                    str(x) for x in self._collision_track['cell_ids'])
+            if 'reactions' in self._collision_track:
+                subelement = ET.SubElement(element, "reactions")
+                subelement.text = ' '.join(
+                    str(x) for x in self._collision_track['reactions'])
+            if 'universe_ids' in self._collision_track:
+                subelement = ET.SubElement(element, "universe_ids")
+                subelement.text = ' '.join(
+                    str(x) for x in self._collision_track['universe_ids'])
+            if 'material_ids' in self._collision_track:
+                subelement = ET.SubElement(element, "material_ids")
+                subelement.text = ' '.join(
+                    str(x) for x in self._collision_track['material_ids'])
+            if 'nuclides' in self._collision_track:
+                subelement = ET.SubElement(element, "nuclides")
+                subelement.text = ' '.join(
+                    str(x) for x in self._collision_track['nuclides'])
+            if 'deposited_E_threshold' in self._collision_track:
+                subelement = ET.SubElement(element, "deposited_E_threshold")
+                subelement.text = str(
+                    self._collision_track['deposited_E_threshold'])
+            if 'max_collisions' in self._collision_track:
+                subelement = ET.SubElement(element, "max_collisions")
+                subelement.text = str(self._collision_track['max_collisions'])
+            if 'max_collision_track_files' in self._collision_track:
+                subelement = ET.SubElement(
+                    element, "max_collision_track_files")
+                subelement.text = str(
+                    self._collision_track['max_collision_track_files'])
+            if 'mcpl' in self._collision_track:
+                subelement = ET.SubElement(element, "mcpl")
+                subelement.text = str(self._collision_track['mcpl']).lower()
+
     def _create_confidence_intervals(self, root):
         if self._confidence_intervals is not None:
             element = ET.SubElement(root, "confidence_intervals")
@@ -1477,8 +1627,8 @@ class Settings:
         # use default heuristic for entropy mesh if not set by user
         if self.entropy_mesh.dimension is None:
             if self.particles is None:
-                raise RuntimeError("Number of particles must be set in order to " \
-                    "use entropy mesh dimension heuristic")
+                raise RuntimeError("Number of particles must be set in order to "
+                                   "use entropy mesh dimension heuristic")
             else:
                 n = ceil((self.particles / 20.0)**(1.0 / 3.0))
                 d = len(self.entropy_mesh.lower_left)
@@ -1568,7 +1718,8 @@ class Settings:
         path = f"./mesh[@id='{self.ufs_mesh.id}']"
         if root.find(path) is None:
             root.append(self.ufs_mesh.to_xml_element())
-            if mesh_memo is not None: mesh_memo.add(self.ufs_mesh.id)
+            if mesh_memo is not None:
+                mesh_memo.add(self.ufs_mesh.id)
 
     def _create_use_decay_photons_subelement(self, root):
         if self._use_decay_photons is not None:
@@ -1694,11 +1845,13 @@ class Settings:
 
         if 'collision' in self._weight_window_checkpoints:
             subelement = ET.SubElement(element, "collision")
-            subelement.text = str(self._weight_window_checkpoints['collision']).lower()
+            subelement.text = str(
+                self._weight_window_checkpoints['collision']).lower()
 
         if 'surface' in self._weight_window_checkpoints:
             subelement = ET.SubElement(element, "surface")
-            subelement.text = str(self._weight_window_checkpoints['surface']).lower()
+            subelement.text = str(
+                self._weight_window_checkpoints['surface']).lower()
 
     def _create_max_history_splits_subelement(self, root):
         if self._max_history_splits is not None:
@@ -1730,6 +1883,9 @@ class Settings:
                         for domain in domains:
                             domain_elem = ET.SubElement(mesh_elem, 'domain')
                             domain_elem.set('id', str(domain.id))
+                            domain_elem.set(
+                                'type', domain.__class__.__name__.lower())
+                        if mesh_memo is not None and mesh.id not in mesh_memo:
                             domain_elem.set('type', domain.__class__.__name__.lower())
                         # See if a <mesh> element already exists -- if not, add it
                         path = f"./mesh[@id='{mesh.id}']"
@@ -1881,6 +2037,25 @@ class Settings:
                     value = int(value)
                 self.surf_source_write[key] = value
 
+    def _collision_track_from_xml_element(self, root):
+        elem = root.find('collision_track')
+        if elem is not None:
+            for key in ('cell_ids', 'reactions', 'universe_ids', 'material_ids', 'nuclides',
+                        'deposited_E_threshold', 'max_collisions', "max_collision_track_files", 'mcpl'):
+                value = get_text(elem, key)
+                if value is not None:
+                    if key in ('cell_ids', 'universe_ids', 'material_ids'):
+                        value = [int(x) for x in value.split()]
+                    elif key in ('reactions', 'nuclides'):
+                        value = value.split()
+                    elif key in ('max_collisions', 'max_collision_track_files'):
+                        value = int(value)
+                    elif key == 'deposited_E_threshold':
+                        value = float(value)
+                    elif key == 'mcpl':
+                        value = value in ('true', '1')
+                    self.collision_track[key] = value
+
     def _confidence_intervals_from_xml_element(self, root):
         text = get_text(root, 'confidence_intervals')
         if text is not None:
@@ -2180,7 +2355,8 @@ class Settings:
                             elif domain_type == 'universe':
                                 domain = openmc.Universe(domain_id)
                             domains.append(domain)
-                        self.random_ray['source_region_meshes'].append((mesh, domains))
+                        self.random_ray['source_region_meshes'].append(
+                            (mesh, domains))
 
     def _use_decay_photons_from_xml_element(self, root):
         text = get_text(root, 'use_decay_photons')
@@ -2223,6 +2399,7 @@ class Settings:
         self._create_sourcepoint_subelement(element)
         self._create_surf_source_read_subelement(element)
         self._create_surf_source_write_subelement(element)
+        self._create_collision_track_subelement(element)
         self._create_confidence_intervals(element)
         self._create_electron_treatment_subelement(element)
         self._create_energy_mode_subelement(element)
@@ -2336,6 +2513,7 @@ class Settings:
         settings._sourcepoint_from_xml_element(elem)
         settings._surf_source_read_from_xml_element(elem)
         settings._surf_source_write_from_xml_element(elem)
+        settings._collision_track_from_xml_element(elem)
         settings._confidence_intervals_from_xml_element(elem)
         settings._electron_treatment_from_xml_element(elem)
         settings._energy_mode_from_xml_element(elem)
diff --git a/openmc/source.py b/openmc/source.py
index 9b730cf1d..84d8a9619 100644
--- a/openmc/source.py
+++ b/openmc/source.py
@@ -6,7 +6,6 @@ from numbers import Real
 from pathlib import Path
 import warnings
 from typing import Any
-from pathlib import Path
 
 import lxml.etree as ET
 import numpy as np
@@ -107,10 +106,12 @@ class SourceBase(ABC):
                 cv.check_type('fissionable', value, bool)
                 self._constraints['fissionable'] = value
             elif key == 'rejection_strategy':
-                cv.check_value('rejection strategy', value, ('resample', 'kill'))
+                cv.check_value('rejection strategy',
+                               value, ('resample', 'kill'))
                 self._constraints['rejection_strategy'] = value
             else:
-                raise ValueError(f'Unknown key in constraints dictionary: {key}')
+                raise ValueError(
+                    f'Unknown key in constraints dictionary: {key}')
 
     @abstractmethod
     def populate_xml_element(self, element):
@@ -144,13 +145,16 @@ class SourceBase(ABC):
                 dt_elem = ET.SubElement(constraints_elem, "domain_type")
                 dt_elem.text = constraints["domain_type"]
                 id_elem = ET.SubElement(constraints_elem, "domain_ids")
-                id_elem.text = ' '.join(str(uid) for uid in constraints["domain_ids"])
+                id_elem.text = ' '.join(str(uid)
+                                        for uid in constraints["domain_ids"])
             if "time_bounds" in constraints:
                 dt_elem = ET.SubElement(constraints_elem, "time_bounds")
-                dt_elem.text = ' '.join(str(t) for t in constraints["time_bounds"])
+                dt_elem.text = ' '.join(str(t)
+                                        for t in constraints["time_bounds"])
             if "energy_bounds" in constraints:
                 dt_elem = ET.SubElement(constraints_elem, "energy_bounds")
-                dt_elem.text = ' '.join(str(E) for E in constraints["energy_bounds"])
+                dt_elem.text = ' '.join(str(E)
+                                        for E in constraints["energy_bounds"])
             if "fissionable" in constraints:
                 dt_elem = ET.SubElement(constraints_elem, "fissionable")
                 dt_elem.text = str(constraints["fissionable"]).lower()
@@ -199,7 +203,8 @@ class SourceBase(ABC):
             elif source_type == 'mesh':
                 return MeshSource.from_xml_element(elem, meshes)
             else:
-                raise ValueError(f'Source type {source_type} is not recognized')
+                raise ValueError(
+                    f'Source type {source_type} is not recognized')
 
     @staticmethod
     def _get_constraints(elem: ET.Element) -> dict[str, Any]:
@@ -316,7 +321,8 @@ class IndependentSource(SourceBase):
         time: openmc.stats.Univariate | None = None,
         strength: float = 1.0,
         particle: str = 'neutron',
-        domains: Sequence[openmc.Cell | openmc.Material | openmc.Universe] | None = None,
+        domains: Sequence[openmc.Cell | openmc.Material |
+                          openmc.Universe] | None = None,
         constraints: dict[str, Any] | None = None
     ):
         if domains is not None:
@@ -527,11 +533,12 @@ class MeshSource(SourceBase):
         'fissionable', and 'rejection_strategy'.
 
     """
+
     def __init__(
             self,
             mesh: MeshBase,
             sources: Sequence[SourceBase],
-            constraints: dict[str, Any] | None  = None,
+            constraints: dict[str, Any] | None = None,
     ):
         super().__init__(strength=None, constraints=constraints)
         self.mesh = mesh
@@ -577,7 +584,8 @@ class MeshSource(SourceBase):
 
         elif isinstance(self.mesh, UnstructuredMesh):
             if s.ndim > 1:
-                raise ValueError('Sources must be a 1-D array for unstructured mesh')
+                raise ValueError(
+                    'Sources must be a 1-D array for unstructured mesh')
 
         self._sources = s
         for src in self._sources:
@@ -646,7 +654,8 @@ class MeshSource(SourceBase):
         mesh_id = int(get_text(elem, 'mesh'))
         mesh = meshes[mesh_id]
 
-        sources = [SourceBase.from_xml_element(e) for e in elem.iterchildren('source')]
+        sources = [SourceBase.from_xml_element(
+            e) for e in elem.iterchildren('source')]
         constraints = cls._get_constraints(elem)
         return cls(mesh, sources, constraints=constraints)
 
@@ -656,7 +665,8 @@ def Source(*args, **kwargs):
     A function for backward compatibility of sources. Will be removed in the
     future. Please update to IndependentSource.
     """
-    warnings.warn("This class is deprecated in favor of 'IndependentSource'", FutureWarning)
+    warnings.warn(
+        "This class is deprecated in favor of 'IndependentSource'", FutureWarning)
     return openmc.IndependentSource(*args, **kwargs)
 
 
@@ -703,6 +713,7 @@ class CompiledSource(SourceBase):
         'fissionable', and 'rejection_strategy'.
 
     """
+
     def __init__(
         self,
         library: PathLike,
@@ -914,7 +925,8 @@ class ParticleType(IntEnum):
         try:
             return cls[value.upper()]
         except KeyError:
-            raise ValueError(f"Invalid string for creation of {cls.__name__}: {value}")
+            raise ValueError(
+                f"Invalid string for creation of {cls.__name__}: {value}")
 
     @classmethod
     def from_pdg_number(cls, pdg_number: int) -> ParticleType:
@@ -984,6 +996,7 @@ class SourceParticle:
         Type of the particle
 
     """
+
     def __init__(
         self,
         r: Iterable[float] = (0., 0., 0.),
@@ -1042,7 +1055,8 @@ def write_source_file(
     openmc.SourceParticle
 
     """
-    cv.check_iterable_type("source particles", source_particles, SourceParticle)
+    cv.check_iterable_type(
+        "source particles", source_particles, SourceParticle)
     pl = ParticleList(source_particles)
     pl.export_to_hdf5(filename, **kwargs)
 
@@ -1104,7 +1118,8 @@ class ParticleList(list):
             for particle in f.particles:
                 # Determine particle type based on the PDG number
                 try:
-                    particle_type = ParticleType.from_pdg_number(particle.pdgcode)
+                    particle_type = ParticleType.from_pdg_number(
+                        particle.pdgcode)
                 except ValueError:
                     particle_type = "UNKNOWN"
 
@@ -1241,3 +1256,133 @@ def read_source_file(filename: PathLike) -> ParticleList:
         return ParticleList.from_hdf5(filename)
     else:
         return ParticleList.from_mcpl(filename)
+
+
+def read_collision_track_hdf5(filename):
+    """Read a collision track file in HDF5 format.
+
+    Parameters
+    ----------
+    filename : str or path-like
+        Path to the HDF5 collision track file.
+
+    Returns
+    -------
+    numpy.ndarray
+        Structured array containing collision track data.
+
+    See Also
+    --------
+    read_collision_track_mcpl
+    read_collision_track_file
+    """
+
+    with h5py.File(filename, 'r') as file:
+        data = file['collision_track_bank'][:]
+
+    return data
+
+
+def read_collision_track_mcpl(file_path):
+    """Read a collision track file in MCPL format.
+
+    Parameters
+    ----------
+    file_path : str or path-like
+        Path to the MCPL collision track file.
+
+    Returns
+    -------
+    numpy.ndarray
+        Structured array of particle collision track information, including
+        position, direction, energy, weight, reaction data, and identifiers.
+
+    See Also
+    --------
+    read_collision_track_hdf5
+    read_collision_track_file
+    """
+    import mcpl
+    myfile = mcpl.MCPLFile(file_path)
+    data = {
+        'r': [],  # for position (x, y, z)
+        'u': [],  # for direction (ux, uy, uz)
+        'E': [], 'dE': [], 'time': [],
+        'wgt': [], 'event_mt': [], 'delayed_group': [],
+        'cell_id': [], 'nuclide_id': [], 'material_id': [],
+        'universe_id': [], 'n_collision': [], 'particle': [],
+        'parent_id': [], 'progeny_id': []
+    }
+
+    # Read and collect data from the MCPL file
+    for i, p in enumerate(myfile.particles):
+        if f'blob_{i}' in myfile.blobs:
+            blob_data = myfile.blobs[f'blob_{i}']
+            decoded_str = blob_data.decode('utf-8')
+            pairs = decoded_str.split(';')
+            values_dict = {k.strip(): v.strip()
+                           for k, v in (pair.split(':') for pair in pairs if pair.strip())}
+
+            data['r'].append((p.x, p.y, p.z))  # Append as tuple
+            data['u'].append((p.ux, p.uy, p.uz))  # Append as tuple
+            data['E'].append(p.ekin * 1e6)
+            data['dE'].append(float(values_dict.get('dE', 0)))
+            data['time'].append(p.time * 1e-3)
+            data['wgt'].append(p.weight)
+            data['event_mt'].append(int(values_dict.get('event_mt', 0)))
+            data['delayed_group'].append(
+                int(values_dict.get('delayed_group', 0)))
+            data['cell_id'].append(int(values_dict.get('cell_id', 0)))
+            data['nuclide_id'].append(int(values_dict.get('nuclide_id', 0)))
+            data['material_id'].append(int(values_dict.get('material_id', 0)))
+            data['universe_id'].append(int(values_dict.get('universe_id', 0)))
+            data['n_collision'].append(int(values_dict.get('n_collision', 0)))
+            data['particle'].append(ParticleType.from_pdg_number(p.pdgcode))
+            data['parent_id'].append(int(values_dict.get('parent_id', 0)))
+            data['progeny_id'].append(int(values_dict.get('progeny_id', 0)))
+
+    dtypes = [
+        ('r', [('x', 'f8'), ('y', 'f8'), ('z', 'f8')]),
+        ('u', [('x', 'f8'), ('y', 'f8'), ('z', 'f8')]),
+        ('E', 'f8'), ('dE', 'f8'), ('time', 'f8'), ('wgt', 'f8'),
+        ('event_mt', 'f8'), ('delayed_group', 'i4'), ('cell_id', 'i4'),
+        ('nuclide_id', 'i4'), ('material_id', 'i4'), ('universe_id', 'i4'),
+        ('n_collision', 'i4'), ('particle', 'i4'),
+        ('parent_id', 'i8'), ('progeny_id', 'i8')
+    ]
+
+    structured_array = np.zeros(len(data['r']), dtype=dtypes)
+    for key in data:
+        structured_array[key] = data[key]  # Assign data
+
+    return structured_array
+
+
+def read_collision_track_file(filename):
+    """Read a collision track file (HDF5 or MCPL) and return its data.
+
+    Parameters
+    ----------
+    filename : str or path-like
+        Path to the collision track file to read. Must end with
+        ``.h5`` or ``.mcpl``.
+
+    Returns
+    -------
+    numpy.ndarray
+        Structured array containing collision track data.
+
+    See Also
+    --------
+    read_collision_track_hdf5
+    read_collision_track_mcpl
+    """
+
+    filename = Path(filename)
+    if filename.suffix not in ('.h5', '.mcpl'):
+        raise ValueError('Collision track file must have a .h5 or .mcpl extension.')
+
+    if filename.suffix == '.h5':
+        return read_collision_track_hdf5(filename)
+    else:
+        return read_collision_track_mcpl(filename)
diff --git a/src/bank.cpp b/src/bank.cpp
index 3e806b3c0..33790379b 100644
--- a/src/bank.cpp
+++ b/src/bank.cpp
@@ -20,6 +20,8 @@ vector<SourceSite> source_bank;
 
 SharedArray<SourceSite> surf_source_bank;
 
+SharedArray<CollisionTrackSite> collision_track_bank;
+
 // The fission bank is allocated as a SharedArray, rather than a vector, as it
 // will be shared by all threads in the simulation. It will be allocated to a
 // fixed maximum capacity in the init_fission_bank() function. Then, Elements
@@ -50,6 +52,7 @@ void free_memory_bank()
 {
   simulation::source_bank.clear();
   simulation::surf_source_bank.clear();
+  simulation::collision_track_bank.clear();
   simulation::fission_bank.clear();
   simulation::progeny_per_particle.clear();
   simulation::ifp_source_delayed_group_bank.clear();
diff --git a/src/collision_track.cpp b/src/collision_track.cpp
new file mode 100644
index 000000000..75e56574a
--- /dev/null
+++ b/src/collision_track.cpp
@@ -0,0 +1,238 @@
+#include "openmc/collision_track.h"
+
+#include <algorithm>
+#include <string>
+
+#include <fmt/format.h>
+
+#include "openmc/bank.h"
+#include "openmc/bank_io.h"
+#include "openmc/cell.h"
+#include "openmc/constants.h"
+#include "openmc/error.h"
+#include "openmc/file_utils.h"
+#include "openmc/hdf5_interface.h"
+#include "openmc/material.h"
+#include "openmc/mcpl_interface.h"
+#include "openmc/message_passing.h"
+#include "openmc/nuclide.h"
+#include "openmc/output.h"
+#include "openmc/particle.h"
+#include "openmc/settings.h"
+#include "openmc/simulation.h"
+#include "openmc/universe.h"
+
+#ifdef OPENMC_MPI
+#include <mpi.h>
+#endif
+
+namespace openmc {
+
+namespace {
+
+hid_t h5_collision_track_banktype()
+{
+  hid_t postype = H5Tcreate(H5T_COMPOUND, sizeof(Position));
+  H5Tinsert(postype, "x", HOFFSET(Position, x), H5T_NATIVE_DOUBLE);
+  H5Tinsert(postype, "y", HOFFSET(Position, y), H5T_NATIVE_DOUBLE);
+  H5Tinsert(postype, "z", HOFFSET(Position, z), H5T_NATIVE_DOUBLE);
+
+  hid_t banktype = H5Tcreate(H5T_COMPOUND, sizeof(CollisionTrackSite));
+
+  H5Tinsert(banktype, "r", HOFFSET(CollisionTrackSite, r), postype);
+  H5Tinsert(banktype, "u", HOFFSET(CollisionTrackSite, u), postype);
+  H5Tinsert(banktype, "E", HOFFSET(CollisionTrackSite, E), H5T_NATIVE_DOUBLE);
+  H5Tinsert(banktype, "dE", HOFFSET(CollisionTrackSite, dE), H5T_NATIVE_DOUBLE);
+  H5Tinsert(
+    banktype, "time", HOFFSET(CollisionTrackSite, time), H5T_NATIVE_DOUBLE);
+  H5Tinsert(
+    banktype, "wgt", HOFFSET(CollisionTrackSite, wgt), H5T_NATIVE_DOUBLE);
+  H5Tinsert(banktype, "event_mt", HOFFSET(CollisionTrackSite, event_mt),
+    H5T_NATIVE_INT);
+  H5Tinsert(banktype, "delayed_group",
+    HOFFSET(CollisionTrackSite, delayed_group), H5T_NATIVE_INT);
+  H5Tinsert(
+    banktype, "cell_id", HOFFSET(CollisionTrackSite, cell_id), H5T_NATIVE_INT);
+  H5Tinsert(banktype, "nuclide_id", HOFFSET(CollisionTrackSite, nuclide_id),
+    H5T_NATIVE_INT);
+  H5Tinsert(banktype, "material_id", HOFFSET(CollisionTrackSite, material_id),
+    H5T_NATIVE_INT);
+  H5Tinsert(banktype, "universe_id", HOFFSET(CollisionTrackSite, universe_id),
+    H5T_NATIVE_INT);
+  H5Tinsert(banktype, "n_collision", HOFFSET(CollisionTrackSite, n_collision),
+    H5T_NATIVE_INT);
+  H5Tinsert(banktype, "particle", HOFFSET(CollisionTrackSite, particle),
+    H5T_NATIVE_INT);
+  H5Tinsert(banktype, "parent_id", HOFFSET(CollisionTrackSite, parent_id),
+    H5T_NATIVE_INT64);
+  H5Tinsert(banktype, "progeny_id", HOFFSET(CollisionTrackSite, progeny_id),
+    H5T_NATIVE_INT64);
+  H5Tclose(postype);
+  return banktype;
+}
+
+void write_collision_track_bank(hid_t group_id,
+  openmc::span<CollisionTrackSite> collision_track_bank,
+  const openmc::vector<int64_t>& bank_index)
+{
+  hid_t banktype = h5_collision_track_banktype();
+#ifdef OPENMC_MPI
+  write_bank_dataset("collision_track_bank", group_id, collision_track_bank,
+    bank_index, banktype, mpi::collision_track_site);
+#else
+  write_bank_dataset("collision_track_bank", group_id, collision_track_bank,
+    bank_index, banktype);
+#endif
+
+  H5Tclose(banktype);
+}
+
+void write_h5_collision_track(const char* filename,
+  openmc::span<CollisionTrackSite> collision_track_bank,
+  const openmc::vector<int64_t>& bank_index)
+{
+#ifdef PHDF5
+  bool parallel = true;
+#else
+  bool parallel = false;
+#endif
+
+  if (!filename)
+    fatal_error("write_h5_collision_track filename needs a nonempty name.");
+
+  std::string filename_(filename);
+  const auto extension = get_file_extension(filename_);
+  if (extension.empty()) {
+    filename_.append(".h5");
+  } else if (extension != "h5") {
+    warning("write_h5_collision_track was passed a file extension differing "
+            "from .h5, but an hdf5 file will be written.");
+  }
+
+  hid_t file_id;
+  if (mpi::master || parallel) {
+    file_id = file_open(filename_.c_str(), 'w', true);
+
+    // Write filetype and version info
+    write_attribute(file_id, "filetype", "collision_track");
+    write_attribute(file_id, "version", VERSION_COLLISION_TRACK);
+  }
+
+  write_collision_track_bank(file_id, collision_track_bank, bank_index);
+
+  if (mpi::master || parallel)
+    file_close(file_id);
+}
+
+} // namespace
+
+bool should_record_event(int id_cell, int mt_event, const std::string& nuclide,
+  int id_universe, int id_material, double energy_loss)
+{
+  auto matches_filter = [](const auto& filter_set, const auto& value) {
+    return filter_set.empty() || filter_set.count(value) > 0;
+  };
+
+  const auto& cfg = settings::collision_track_config;
+  return simulation::current_batch > settings::n_inactive &&
+         !simulation::collision_track_bank.full() &&
+         matches_filter(cfg.cell_ids, id_cell) &&
+         matches_filter(cfg.mt_numbers, mt_event) &&
+         matches_filter(cfg.universe_ids, id_universe) &&
+         matches_filter(cfg.material_ids, id_material) &&
+         matches_filter(cfg.nuclides, nuclide) &&
+         (cfg.deposited_energy_threshold == 0 ||
+           cfg.deposited_energy_threshold < energy_loss);
+}
+
+void collision_track_reserve_bank()
+{
+  simulation::collision_track_bank.reserve(
+    settings::collision_track_config.max_collisions);
+}
+
+void collision_track_flush_bank()
+{
+  const auto& cfg = settings::collision_track_config;
+  if (simulation::ct_current_file > cfg.max_files)
+    return;
+
+  bool last_batch = (simulation::current_batch == settings::n_batches);
+  if (!simulation::collision_track_bank.full() && !last_batch)
+    return;
+
+  auto size = simulation::collision_track_bank.size();
+  if (size == 0 && !last_batch)
+    return;
+
+  auto collision_track_work_index = mpi::calculate_parallel_index_vector(size);
+  openmc::span<CollisionTrackSite> collisiontrackbankspan(
+    simulation::collision_track_bank.begin(), size);
+
+  std::string ext = cfg.mcpl_write ? "mcpl" : "h5";
+  auto filename = fmt::format("{}collision_track.{}.{}", settings::path_output,
+    simulation::ct_current_file, ext);
+
+  if (cfg.max_files == 1 || (simulation::ct_current_file == 1 && last_batch)) {
+    filename = settings::path_output + "collision_track." + ext;
+  }
+  write_message("Creating {}...", filename, 4);
+
+  if (cfg.mcpl_write) {
+    write_mcpl_collision_track(
+      filename.c_str(), collisiontrackbankspan, collision_track_work_index);
+  } else {
+    write_h5_collision_track(
+      filename.c_str(), collisiontrackbankspan, collision_track_work_index);
+  }
+
+  simulation::collision_track_bank.clear();
+  if (!last_batch && cfg.max_files >= 1) {
+    collision_track_reserve_bank();
+  }
+  ++simulation::ct_current_file;
+}
+
+void collision_track_record(Particle& particle)
+{
+  int cell_index = particle.lowest_coord().cell();
+  if (cell_index == C_NONE)
+    return;
+
+  int cell_id = model::cells[cell_index]->id_;
+  const auto* nuclide_ptr = data::nuclides[particle.event_nuclide()].get();
+  std::string nuclide = nuclide_ptr->name_;
+  int universe_id = model::universes[particle.lowest_coord().universe()]->id_;
+  double delta_E = particle.E_last() - particle.E();
+  int material_index = particle.material();
+  if (material_index == C_NONE)
+    return;
+
+  int material_id = model::materials[material_index]->id_;
+
+  if (!should_record_event(cell_id, particle.event_mt(), nuclide, universe_id,
+        material_id, delta_E))
+    return;
+
+  CollisionTrackSite site;
+  site.r = particle.r();
+  site.u = particle.u();
+  site.E = particle.E_last();
+  site.dE = delta_E;
+  site.time = particle.time();
+  site.wgt = particle.wgt();
+  site.event_mt = particle.event_mt();
+  site.delayed_group = particle.delayed_group();
+  site.cell_id = cell_id;
+  site.nuclide_id =
+    10000 * nuclide_ptr->Z_ + 10 * nuclide_ptr->A_ + nuclide_ptr->metastable_;
+  site.material_id = material_id;
+  site.universe_id = universe_id;
+  site.n_collision = particle.n_collision();
+  site.particle = particle.type();
+  site.parent_id = particle.id();
+  site.progeny_id = particle.n_progeny();
+  simulation::collision_track_bank.thread_safe_append(site);
+}
+
+} // namespace openmc
diff --git a/src/finalize.cpp b/src/finalize.cpp
index 659f390b3..9ee943409 100644
--- a/src/finalize.cpp
+++ b/src/finalize.cpp
@@ -3,6 +3,7 @@
 #include "openmc/bank.h"
 #include "openmc/capi.h"
 #include "openmc/cmfd_solver.h"
+#include "openmc/collision_track.h"
 #include "openmc/constants.h"
 #include "openmc/cross_sections.h"
 #include "openmc/dagmc.h"
@@ -76,6 +77,7 @@ int openmc_finalize()
   // Reset global variables
   settings::assume_separate = false;
   settings::check_overlaps = false;
+  settings::collision_track_config = CollisionTrackConfig {};
   settings::confidence_intervals = false;
   settings::create_fission_neutrons = true;
   settings::create_delayed_neutrons = true;
@@ -177,6 +179,9 @@ int openmc_finalize()
   if (mpi::source_site != MPI_DATATYPE_NULL) {
     MPI_Type_free(&mpi::source_site);
   }
+  if (mpi::collision_track_site != MPI_DATATYPE_NULL) {
+    MPI_Type_free(&mpi::collision_track_site);
+  }
 #endif
 
   openmc_reset_random_ray();
diff --git a/src/initialize.cpp b/src/initialize.cpp
index 36f326116..e2a5b9743 100644
--- a/src/initialize.cpp
+++ b/src/initialize.cpp
@@ -178,6 +178,37 @@ void initialize_mpi(MPI_Comm intracomm)
     MPI_DOUBLE, MPI_INT, MPI_INT, MPI_INT, MPI_INT, MPI_LONG, MPI_LONG};
   MPI_Type_create_struct(11, blocks, disp, types, &mpi::source_site);
   MPI_Type_commit(&mpi::source_site);
+
+  CollisionTrackSite bc;
+  MPI_Aint dispc[16];
+  MPI_Get_address(&bc.r, &dispc[0]);             // double
+  MPI_Get_address(&bc.u, &dispc[1]);             // double
+  MPI_Get_address(&bc.E, &dispc[2]);             // double
+  MPI_Get_address(&bc.dE, &dispc[3]);            // double
+  MPI_Get_address(&bc.time, &dispc[4]);          // double
+  MPI_Get_address(&bc.wgt, &dispc[5]);           // double
+  MPI_Get_address(&bc.event_mt, &dispc[6]);      // int
+  MPI_Get_address(&bc.delayed_group, &dispc[7]); // int
+  MPI_Get_address(&bc.cell_id, &dispc[8]);       // int
+  MPI_Get_address(&bc.nuclide_id, &dispc[9]);    // int
+  MPI_Get_address(&bc.material_id, &dispc[10]);  // int
+  MPI_Get_address(&bc.universe_id, &dispc[11]);  // int
+  MPI_Get_address(&bc.n_collision, &dispc[12]);  // int
+  MPI_Get_address(&bc.particle, &dispc[13]);     // int
+  MPI_Get_address(&bc.parent_id, &dispc[14]);    // int64_t
+  MPI_Get_address(&bc.progeny_id, &dispc[15]);   // int64_t
+  for (int i = 15; i >= 0; --i) {
+    dispc[i] -= dispc[0];
+  }
+
+  int blocksc[] = {3, 3, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1};
+  MPI_Datatype typesc[] = {MPI_DOUBLE, MPI_DOUBLE, MPI_DOUBLE, MPI_DOUBLE,
+    MPI_DOUBLE, MPI_DOUBLE, MPI_INT, MPI_INT, MPI_INT, MPI_INT, MPI_INT,
+    MPI_INT, MPI_INT, MPI_INT, MPI_INT64_T, MPI_INT64_T};
+
+  MPI_Type_create_struct(
+    16, blocksc, dispc, typesc, &mpi::collision_track_site);
+  MPI_Type_commit(&mpi::collision_track_site);
 }
 #endif // OPENMC_MPI
 
diff --git a/src/mcpl_interface.cpp b/src/mcpl_interface.cpp
index b8e780710..129407301 100644
--- a/src/mcpl_interface.cpp
+++ b/src/mcpl_interface.cpp
@@ -18,6 +18,7 @@
 #include <cstring>
 #include <memory>
 #include <mutex>
+#include <sstream>
 #include <stdexcept>
 #include <string>
 
@@ -61,6 +62,8 @@ using mcpl_hdr_nparticles_fpt = uint64_t (*)(mcpl_file_t* file_handle);
 using mcpl_read_fpt = const mcpl_particle_repr_t* (*)(mcpl_file_t* file_handle);
 using mcpl_close_file_fpt = void (*)(mcpl_file_t* file_handle);
 
+using mcpl_hdr_add_data_fpt = void (*)(mcpl_outfile_t* file_handle,
+  const char* key, int32_t ldata, const char* data);
 using mcpl_create_outfile_fpt = mcpl_outfile_t* (*)(const char* filename);
 using mcpl_hdr_set_srcname_fpt = void (*)(
   mcpl_outfile_t* outfile_handle, const char* srcname);
@@ -110,6 +113,7 @@ struct McplApi {
   mcpl_close_file_fpt close_file;
   mcpl_create_outfile_fpt create_outfile;
   mcpl_hdr_set_srcname_fpt hdr_set_srcname;
+  mcpl_hdr_add_data_fpt hdr_add_data;
   mcpl_add_particle_fpt add_particle;
   mcpl_close_outfile_fpt close_outfile;
   mcpl_hdr_add_stat_sum_fpt hdr_add_stat_sum;
@@ -146,6 +150,8 @@ struct McplApi {
       load_symbol_platform("mcpl_create_outfile"));
     hdr_set_srcname = reinterpret_cast<mcpl_hdr_set_srcname_fpt>(
       load_symbol_platform("mcpl_hdr_set_srcname"));
+    hdr_add_data = reinterpret_cast<mcpl_hdr_add_data_fpt>(
+      load_symbol_platform("mcpl_hdr_add_data"));
     add_particle = reinterpret_cast<mcpl_add_particle_fpt>(
       load_symbol_platform("mcpl_add_particle"));
     close_outfile = reinterpret_cast<mcpl_close_outfile_fpt>(
@@ -545,4 +551,153 @@ void write_mcpl_source_point(const char* filename, span<SourceSite> source_bank,
   }
 }
 
+// Collision track feature with MCPL
+void write_mcpl_collision_track_internal(mcpl_outfile_t* file_id,
+  span<CollisionTrackSite> collision_track_bank,
+  const vector<int64_t>& bank_index_all_ranks)
+{
+  if (mpi::master) {
+    if (!file_id) {
+      fatal_error("MCPL: Internal error - master rank called "
+                  "write_mcpl_source_bank_internal with null file_id.");
+    }
+    vector<CollisionTrackSite> receive_buffer;
+    vector<CollisionTrackSite> all_sites;
+    all_sites.reserve(static_cast<size_t>(bank_index_all_ranks.back()));
+    vector<std::string> all_blobs;
+    all_blobs.reserve(static_cast<size_t>(bank_index_all_ranks.back()));
+
+    for (int rank_idx = 0; rank_idx < mpi::n_procs; ++rank_idx) {
+      size_t num_sites_on_rank = static_cast<size_t>(
+        bank_index_all_ranks[rank_idx + 1] - bank_index_all_ranks[rank_idx]);
+      if (num_sites_on_rank == 0)
+        continue;
+
+      span<const CollisionTrackSite> sites_to_process;
+#ifdef OPENMC_MPI
+      if (rank_idx == mpi::rank) {
+        sites_to_process = openmc::span<const CollisionTrackSite>(
+          collision_track_bank.data(), num_sites_on_rank);
+      } else {
+        receive_buffer.resize(num_sites_on_rank);
+        MPI_Recv(receive_buffer.data(), num_sites_on_rank,
+          mpi::collision_track_site, rank_idx, rank_idx, mpi::intracomm,
+          MPI_STATUS_IGNORE);
+        sites_to_process = openmc::span<const CollisionTrackSite>(
+          receive_buffer.data(), num_sites_on_rank);
+      }
+#else
+      sites_to_process = openmc::span<const CollisionTrackSite>(
+        collision_track_bank.data(), num_sites_on_rank);
+#endif
+
+      for (const auto& site : sites_to_process) {
+        std::ostringstream custom_data_stream;
+        custom_data_stream << " dE : " << site.dE
+                           << " ; event_mt : " << site.event_mt
+                           << " ; delayed_group : " << site.delayed_group
+                           << " ; cell_id : " << site.cell_id
+                           << " ; nuclide_id : " << site.nuclide_id
+                           << " ; material_id : " << site.material_id
+                           << " ; universe_id : " << site.universe_id
+                           << " ; n_collision : " << site.n_collision
+                           << " ; parent_id : " << site.parent_id
+                           << " ; progeny_id : " << site.progeny_id;
+
+        all_blobs.push_back(custom_data_stream.str());
+        all_sites.push_back(site);
+      }
+    }
+
+    for (size_t idx = 0; idx < all_blobs.size(); ++idx) {
+      const auto& blob = all_blobs[idx];
+      std::string key = "blob_" + std::to_string(idx);
+      g_mcpl_api->hdr_add_data(file_id, key.c_str(), blob.size(), blob.c_str());
+    }
+
+    for (const auto& site : all_sites) {
+      mcpl_particle_repr_t p_repr {};
+      p_repr.position[0] = site.r.x;
+      p_repr.position[1] = site.r.y;
+      p_repr.position[2] = site.r.z;
+      p_repr.direction[0] = site.u.x;
+      p_repr.direction[1] = site.u.y;
+      p_repr.direction[2] = site.u.z;
+      p_repr.ekin = site.E * 1e-6;
+      p_repr.time = site.time * 1e3;
+      p_repr.weight = site.wgt;
+      switch (site.particle) {
+      case ParticleType::neutron:
+        p_repr.pdgcode = 2112;
+        break;
+      case ParticleType::photon:
+        p_repr.pdgcode = 22;
+        break;
+      case ParticleType::electron:
+        p_repr.pdgcode = 11;
+        break;
+      case ParticleType::positron:
+        p_repr.pdgcode = -11;
+        break;
+      default:
+        continue;
+      }
+      g_mcpl_api->add_particle(file_id, &p_repr);
+    }
+  } else {
+#ifdef OPENMC_MPI
+    if (!collision_track_bank.empty()) {
+      MPI_Send(collision_track_bank.data(), collision_track_bank.size(),
+        mpi::collision_track_site, 0, mpi::rank, mpi::intracomm);
+    }
+#endif
+  }
+}
+
+void write_mcpl_collision_track(const char* filename,
+  span<CollisionTrackSite> collision_track_bank,
+  const vector<int64_t>& bank_index)
+{
+  ensure_mcpl_ready_or_fatal();
+
+  std::string filename_(filename);
+  const auto extension = get_file_extension(filename_);
+  if (extension.empty()) {
+    filename_.append(".mcpl");
+  } else if (extension != "mcpl") {
+    warning(fmt::format("Specified filename '{}' has an extension '.{}', but "
+                        "an MCPL file (.mcpl) will be written using this name.",
+      filename, extension));
+  }
+
+  mcpl_outfile_t* file_id = nullptr;
+
+  if (mpi::master) {
+    file_id = g_mcpl_api->create_outfile(filename_.c_str());
+    if (!file_id) {
+      fatal_error(fmt::format(
+        "MCPL: Failed to create output file '{}'. Check permissions and path.",
+        filename_));
+    }
+    std::string src_line;
+    if (VERSION_DEV) {
+      src_line = fmt::format("OpenMC {}.{}.{}-dev{}", VERSION_MAJOR,
+        VERSION_MINOR, VERSION_RELEASE, VERSION_COMMIT_COUNT);
+    } else {
+      src_line = fmt::format(
+        "OpenMC {}.{}.{}", VERSION_MAJOR, VERSION_MINOR, VERSION_RELEASE);
+    }
+
+    g_mcpl_api->hdr_set_srcname(file_id, src_line.c_str());
+  }
+  write_mcpl_collision_track_internal(
+    file_id, collision_track_bank, bank_index);
+
+  if (mpi::master) {
+    if (file_id) {
+      g_mcpl_api->close_outfile(file_id);
+    }
+  }
+}
+
 } // namespace openmc
diff --git a/src/message_passing.cpp b/src/message_passing.cpp
index 374c1aa72..a160f6d73 100644
--- a/src/message_passing.cpp
+++ b/src/message_passing.cpp
@@ -10,6 +10,7 @@ bool master {true};
 #ifdef OPENMC_MPI
 MPI_Comm intracomm {MPI_COMM_NULL};
 MPI_Datatype source_site {MPI_DATATYPE_NULL};
+MPI_Datatype collision_track_site {MPI_DATATYPE_NULL};
 #endif
 
 extern "C" bool openmc_master()
diff --git a/src/particle.cpp b/src/particle.cpp
index 6ba8ebf12..2d70d715e 100644
--- a/src/particle.cpp
+++ b/src/particle.cpp
@@ -8,6 +8,7 @@
 #include "openmc/bank.h"
 #include "openmc/capi.h"
 #include "openmc/cell.h"
+#include "openmc/collision_track.h"
 #include "openmc/constants.h"
 #include "openmc/dagmc.h"
 #include "openmc/error.h"
@@ -351,6 +352,11 @@ void Particle::event_collide()
     collision_mg(*this);
   }
 
+  // Collision track feature to recording particle interaction
+  if (settings::collision_track) {
+    collision_track_record(*this);
+  }
+
   // Score collision estimator tallies -- this is done after a collision
   // has occurred rather than before because we need information on the
   // outgoing energy for any tallies with an outgoing energy filter
diff --git a/src/physics.cpp b/src/physics.cpp
index 3a17077b3..41509af97 100644
--- a/src/physics.cpp
+++ b/src/physics.cpp
@@ -122,6 +122,7 @@ void sample_neutron_reaction(Particle& p)
           "with k-effective close to or greater than one.");
       }
     }
+    p.event_mt() = rx.mt_;
   }
 
   // Create secondary photons
@@ -663,7 +664,9 @@ void absorption(Particle& p, int i_nuclide)
 
       p.wgt() = 0.0;
       p.event() = TallyEvent::ABSORB;
-      p.event_mt() = N_DISAPPEAR;
+      if (!p.fission()) {
+        p.event_mt() = N_DISAPPEAR;
+      }
     }
   }
 }
diff --git a/src/settings.cpp b/src/settings.cpp
index 13b91b0e4..9dcf7c8db 100644
--- a/src/settings.cpp
+++ b/src/settings.cpp
@@ -11,6 +11,7 @@
 #endif
 
 #include "openmc/capi.h"
+#include "openmc/collision_track.h"
 #include "openmc/constants.h"
 #include "openmc/container_util.h"
 #include "openmc/distribution.h"
@@ -26,6 +27,7 @@
 #include "openmc/plot.h"
 #include "openmc/random_lcg.h"
 #include "openmc/random_ray/random_ray.h"
+#include "openmc/reaction.h"
 #include "openmc/simulation.h"
 #include "openmc/source.h"
 #include "openmc/string_utils.h"
@@ -45,6 +47,7 @@ namespace settings {
 // Default values for boolean flags
 bool assume_separate {false};
 bool check_overlaps {false};
+bool collision_track {false};
 bool cmfd_run {false};
 bool confidence_intervals {false};
 bool create_delayed_neutrons {true};
@@ -128,6 +131,7 @@ std::unordered_set<int> statepoint_batch;
 double source_rejection_fraction {0.05};
 double free_gas_threshold {400.0};
 std::unordered_set<int> source_write_surf_id;
+CollisionTrackConfig collision_track_config {};
 int64_t ssw_max_particles;
 int64_t ssw_max_files;
 int64_t ssw_cell_id {C_NONE};
@@ -925,8 +929,72 @@ void read_settings_xml(pugi::xml_node root)
     }
   }
 
-  // If source is not separate and is to be written out in the statepoint file,
-  // make sure that the sourcepoint batch numbers are contained in the
+  // Check if the user has specified to write specific collisions
+  if (check_for_node(root, "collision_track")) {
+    settings::collision_track = true;
+    // Get collision track node
+    xml_node node_ct = root.child("collision_track");
+    collision_track_config = CollisionTrackConfig {};
+
+    // Determine cell ids at which crossing particles are to be banked
+    if (check_for_node(node_ct, "cell_ids")) {
+      auto temp = get_node_array<int>(node_ct, "cell_ids");
+      for (const auto& b : temp) {
+        collision_track_config.cell_ids.insert(b);
+      }
+    }
+    if (check_for_node(node_ct, "reactions")) {
+      auto temp = get_node_array<std::string>(node_ct, "reactions");
+      for (const auto& b : temp) {
+        int reaction_int = reaction_type(b);
+        if (reaction_int > 0) {
+          collision_track_config.mt_numbers.insert(reaction_int);
+        }
+      }
+    }
+    if (check_for_node(node_ct, "universe_ids")) {
+      auto temp = get_node_array<int>(node_ct, "universe_ids");
+      for (const auto& b : temp) {
+        collision_track_config.universe_ids.insert(b);
+      }
+    }
+    if (check_for_node(node_ct, "material_ids")) {
+      auto temp = get_node_array<int>(node_ct, "material_ids");
+      for (const auto& b : temp) {
+        collision_track_config.material_ids.insert(b);
+      }
+    }
+    if (check_for_node(node_ct, "nuclides")) {
+      auto temp = get_node_array<std::string>(node_ct, "nuclides");
+      for (const auto& b : temp) {
+        collision_track_config.nuclides.insert(b);
+      }
+    }
+    if (check_for_node(node_ct, "deposited_E_threshold")) {
+      collision_track_config.deposited_energy_threshold =
+        std::stod(get_node_value(node_ct, "deposited_E_threshold"));
+    }
+    // Get maximum number of particles to be banked per collision
+    if (check_for_node(node_ct, "max_collisions")) {
+      collision_track_config.max_collisions =
+        std::stoll(get_node_value(node_ct, "max_collisions"));
+    } else {
+      warning("A maximum number of collisions needs to be specified. "
+              "By default the code sets 'max_collisions' parameter equals to "
+              "1000.");
+    }
+    // Get maximum number of collision_track files to be created
+    if (check_for_node(node_ct, "max_collision_track_files")) {
+      collision_track_config.max_files =
+        std::stoll(get_node_value(node_ct, "max_collision_track_files"));
+    }
+    if (check_for_node(node_ct, "mcpl")) {
+      collision_track_config.mcpl_write = get_node_value_bool(node_ct, "mcpl");
+    }
+  }
+
+  // If source is not separate and is to be written out in the statepoint
+  // file, make sure that the sourcepoint batch numbers are contained in the
   // statepoint list
   if (!source_separate) {
     for (const auto& b : sourcepoint_batch) {
@@ -1171,8 +1239,8 @@ void read_settings_xml(pugi::xml_node root)
       variance_reduction::weight_windows_generators.emplace_back(
         std::make_unique<WeightWindowsGenerator>(node_wwg));
     }
-    // if any of the weight windows are intended to be generated otf, make sure
-    // they're applied
+    // if any of the weight windows are intended to be generated otf, make
+    // sure they're applied
     for (const auto& wwg : variance_reduction::weight_windows_generators) {
       if (wwg->on_the_fly_) {
         settings::weight_windows_on = true;
diff --git a/src/simulation.cpp b/src/simulation.cpp
index 05d554526..b536ae588 100644
--- a/src/simulation.cpp
+++ b/src/simulation.cpp
@@ -2,6 +2,7 @@
 
 #include "openmc/bank.h"
 #include "openmc/capi.h"
+#include "openmc/collision_track.h"
 #include "openmc/container_util.h"
 #include "openmc/eigenvalue.h"
 #include "openmc/error.h"
@@ -9,7 +10,6 @@
 #include "openmc/geometry_aux.h"
 #include "openmc/ifp.h"
 #include "openmc/material.h"
-#include "openmc/mcpl_interface.h"
 #include "openmc/message_passing.h"
 #include "openmc/nuclide.h"
 #include "openmc/output.h"
@@ -118,6 +118,7 @@ int openmc_simulation_init()
   // Reset global variables -- this is done before loading state point (as that
   // will potentially populate k_generation and entropy)
   simulation::current_batch = 0;
+  simulation::ct_current_file = 1;
   simulation::ssw_current_file = 1;
   simulation::k_generation.clear();
   simulation::entropy.clear();
@@ -297,6 +298,7 @@ namespace openmc {
 
 namespace simulation {
 
+int ct_current_file;
 int current_batch;
 int current_gen;
 bool initialized {false};
@@ -347,6 +349,11 @@ void allocate_banks()
     // Allocate surface source bank
     simulation::surf_source_bank.reserve(settings::ssw_max_particles);
   }
+
+  if (settings::collision_track) {
+    // Allocate collision track bank
+    collision_track_reserve_bank();
+  }
 }
 
 void initialize_batch()
@@ -490,6 +497,10 @@ void finalize_batch()
       ++simulation::ssw_current_file;
     }
   }
+  // Write collision track file if requested
+  if (settings::collision_track) {
+    collision_track_flush_bank();
+  }
 }
 
 void initialize_generation()
diff --git a/src/state_point.cpp b/src/state_point.cpp
index 0b0fed132..47296da3a 100644
--- a/src/state_point.cpp
+++ b/src/state_point.cpp
@@ -9,6 +9,7 @@
 #include <fmt/core.h>
 
 #include "openmc/bank.h"
+#include "openmc/bank_io.h"
 #include "openmc/capi.h"
 #include "openmc/constants.h"
 #include "openmc/eigenvalue.h"
@@ -642,91 +643,12 @@ void write_source_bank(hid_t group_id, span<SourceSite> source_bank,
 {
   hid_t banktype = h5banktype();
 
-  // Set total and individual process dataspace sizes for source bank
-  int64_t dims_size = bank_index.back();
-  int64_t count_size = bank_index[mpi::rank + 1] - bank_index[mpi::rank];
-
-#ifdef PHDF5
-  // Set size of total dataspace for all procs and rank
-  hsize_t dims[] {static_cast<hsize_t>(dims_size)};
-  hid_t dspace = H5Screate_simple(1, dims, nullptr);
-  hid_t dset = H5Dcreate(group_id, "source_bank", banktype, dspace, H5P_DEFAULT,
-    H5P_DEFAULT, H5P_DEFAULT);
-
-  // Create another data space but for each proc individually
-  hsize_t count[] {static_cast<hsize_t>(count_size)};
-  hid_t memspace = H5Screate_simple(1, count, nullptr);
-
-  // Select hyperslab for this dataspace
-  hsize_t start[] {static_cast<hsize_t>(bank_index[mpi::rank])};
-  H5Sselect_hyperslab(dspace, H5S_SELECT_SET, start, nullptr, count, nullptr);
-
-  // Set up the property list for parallel writing
-  hid_t plist = H5Pcreate(H5P_DATASET_XFER);
-  H5Pset_dxpl_mpio(plist, H5FD_MPIO_COLLECTIVE);
-
-  // Write data to file in parallel
-  H5Dwrite(dset, banktype, memspace, dspace, plist, source_bank.data());
-
-  // Free resources
-  H5Sclose(dspace);
-  H5Sclose(memspace);
-  H5Dclose(dset);
-  H5Pclose(plist);
-
+#ifdef OPENMC_MPI
+  write_bank_dataset("source_bank", group_id, source_bank, bank_index, banktype,
+    mpi::source_site);
 #else
-
-  if (mpi::master) {
-    // Create dataset big enough to hold all source sites
-    hsize_t dims[] {static_cast<hsize_t>(dims_size)};
-    hid_t dspace = H5Screate_simple(1, dims, nullptr);
-    hid_t dset = H5Dcreate(group_id, "source_bank", banktype, dspace,
-      H5P_DEFAULT, H5P_DEFAULT, H5P_DEFAULT);
-
-    // Save source bank sites since the array is overwritten below
-#ifdef OPENMC_MPI
-    vector<SourceSite> temp_source {source_bank.begin(), source_bank.end()};
-#endif
-
-    for (int i = 0; i < mpi::n_procs; ++i) {
-      // Create memory space
-      hsize_t count[] {static_cast<hsize_t>(bank_index[i + 1] - bank_index[i])};
-      hid_t memspace = H5Screate_simple(1, count, nullptr);
-
-#ifdef OPENMC_MPI
-      // Receive source sites from other processes
-      if (i > 0)
-        MPI_Recv(source_bank.data(), count[0], mpi::source_site, i, i,
-          mpi::intracomm, MPI_STATUS_IGNORE);
-#endif
-
-      // Select hyperslab for this dataspace
-      dspace = H5Dget_space(dset);
-      hsize_t start[] {static_cast<hsize_t>(bank_index[i])};
-      H5Sselect_hyperslab(
-        dspace, H5S_SELECT_SET, start, nullptr, count, nullptr);
-
-      // Write data to hyperslab
-      H5Dwrite(
-        dset, banktype, memspace, dspace, H5P_DEFAULT, source_bank.data());
-
-      H5Sclose(memspace);
-      H5Sclose(dspace);
-    }
-
-    // Close all ids
-    H5Dclose(dset);
-
-#ifdef OPENMC_MPI
-    // Restore state of source bank
-    std::copy(temp_source.begin(), temp_source.end(), source_bank.begin());
-#endif
-  } else {
-#ifdef OPENMC_MPI
-    MPI_Send(source_bank.data(), count_size, mpi::source_site, 0, mpi::rank,
-      mpi::intracomm);
-#endif
-  }
+  write_bank_dataset(
+    "source_bank", group_id, source_bank, bank_index, banktype);
 #endif
 
   H5Tclose(banktype);
diff --git a/tests/regression_tests/collision_track/__init__.py b/tests/regression_tests/collision_track/__init__.py
new file mode 100644
index 000000000..e69de29bb
diff --git a/tests/regression_tests/collision_track/case_1_Reactions/inputs_true.dat b/tests/regression_tests/collision_track/case_1_Reactions/inputs_true.dat
new file mode 100644
index 000000000..7533616c0
--- /dev/null
+++ b/tests/regression_tests/collision_track/case_1_Reactions/inputs_true.dat
@@ -0,0 +1,58 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material id="1" depletable="true">
+      <density value="11.0" units="g/cm3"/>
+      <nuclide name="U234" ao="0.0004524"/>
+      <nuclide name="U235" ao="0.0506068"/>
+      <nuclide name="U238" ao="0.948709"/>
+      <nuclide name="U236" ao="0.0002318"/>
+      <nuclide name="O16" ao="2.0"/>
+    </material>
+    <material id="11">
+      <density value="1.0" units="g/cm3"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="5" fill="77" region="-5 4 -7 6 -9 8" universe="1"/>
+    <cell id="8" material="11" region="-11 10 -13 12 -15 14 (5 | -4 | 7 | -6 | 9 | -8)" universe="1"/>
+    <cell id="22" material="1" region="-1 2 -3" universe="77"/>
+    <cell id="33" material="11" region="1 | -2 | 3" universe="77"/>
+    <surface id="1" type="z-cylinder" coeffs="0.0 0.0 2.0"/>
+    <surface id="2" type="z-plane" coeffs="-2.0"/>
+    <surface id="3" type="z-plane" coeffs="2.0"/>
+    <surface id="4" type="x-plane" coeffs="-3.0"/>
+    <surface id="5" type="x-plane" coeffs="3.0"/>
+    <surface id="6" type="y-plane" coeffs="-3.0"/>
+    <surface id="7" type="y-plane" coeffs="3.0"/>
+    <surface id="8" type="z-plane" coeffs="-3.0"/>
+    <surface id="9" type="z-plane" coeffs="3.0"/>
+    <surface id="10" type="x-plane" boundary="vacuum" coeffs="-4.0"/>
+    <surface id="11" type="x-plane" boundary="vacuum" coeffs="4.0"/>
+    <surface id="12" type="y-plane" boundary="vacuum" coeffs="-4.0"/>
+    <surface id="13" type="y-plane" boundary="vacuum" coeffs="4.0"/>
+    <surface id="14" type="z-plane" boundary="vacuum" coeffs="-4.0"/>
+    <surface id="15" type="z-plane" boundary="vacuum" coeffs="4.0"/>
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>5</batches>
+    <inactive>1</inactive>
+    <source type="independent" strength="1.0" particle="neutron">
+      <space type="box">
+        <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
+      </space>
+      <constraints>
+        <fissionable>true</fissionable>
+      </constraints>
+    </source>
+    <collision_track>
+      <reactions>(n,fission) 101</reactions>
+      <max_collisions>300</max_collisions>
+    </collision_track>
+    <seed>1</seed>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/collision_track/case_1_Reactions/results_true.dat b/tests/regression_tests/collision_track/case_1_Reactions/results_true.dat
new file mode 100644
index 000000000..d4d1d1e5a
--- /dev/null
+++ b/tests/regression_tests/collision_track/case_1_Reactions/results_true.dat
@@ -0,0 +1,2 @@
+k-combined:
+5.642735E-02 1.494035E-02
diff --git a/tests/regression_tests/collision_track/case_2_Cell_ID/inputs_true.dat b/tests/regression_tests/collision_track/case_2_Cell_ID/inputs_true.dat
new file mode 100644
index 000000000..55fb835de
--- /dev/null
+++ b/tests/regression_tests/collision_track/case_2_Cell_ID/inputs_true.dat
@@ -0,0 +1,58 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material id="1" depletable="true">
+      <density value="11.0" units="g/cm3"/>
+      <nuclide name="U234" ao="0.0004524"/>
+      <nuclide name="U235" ao="0.0506068"/>
+      <nuclide name="U238" ao="0.948709"/>
+      <nuclide name="U236" ao="0.0002318"/>
+      <nuclide name="O16" ao="2.0"/>
+    </material>
+    <material id="11">
+      <density value="1.0" units="g/cm3"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="5" fill="77" region="-5 4 -7 6 -9 8" universe="1"/>
+    <cell id="8" material="11" region="-11 10 -13 12 -15 14 (5 | -4 | 7 | -6 | 9 | -8)" universe="1"/>
+    <cell id="22" material="1" region="-1 2 -3" universe="77"/>
+    <cell id="33" material="11" region="1 | -2 | 3" universe="77"/>
+    <surface id="1" type="z-cylinder" coeffs="0.0 0.0 2.0"/>
+    <surface id="2" type="z-plane" coeffs="-2.0"/>
+    <surface id="3" type="z-plane" coeffs="2.0"/>
+    <surface id="4" type="x-plane" coeffs="-3.0"/>
+    <surface id="5" type="x-plane" coeffs="3.0"/>
+    <surface id="6" type="y-plane" coeffs="-3.0"/>
+    <surface id="7" type="y-plane" coeffs="3.0"/>
+    <surface id="8" type="z-plane" coeffs="-3.0"/>
+    <surface id="9" type="z-plane" coeffs="3.0"/>
+    <surface id="10" type="x-plane" boundary="vacuum" coeffs="-4.0"/>
+    <surface id="11" type="x-plane" boundary="vacuum" coeffs="4.0"/>
+    <surface id="12" type="y-plane" boundary="vacuum" coeffs="-4.0"/>
+    <surface id="13" type="y-plane" boundary="vacuum" coeffs="4.0"/>
+    <surface id="14" type="z-plane" boundary="vacuum" coeffs="-4.0"/>
+    <surface id="15" type="z-plane" boundary="vacuum" coeffs="4.0"/>
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>5</batches>
+    <inactive>1</inactive>
+    <source type="independent" strength="1.0" particle="neutron">
+      <space type="box">
+        <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
+      </space>
+      <constraints>
+        <fissionable>true</fissionable>
+      </constraints>
+    </source>
+    <collision_track>
+      <cell_ids>22</cell_ids>
+      <max_collisions>300</max_collisions>
+    </collision_track>
+    <seed>1</seed>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/collision_track/case_2_Cell_ID/results_true.dat b/tests/regression_tests/collision_track/case_2_Cell_ID/results_true.dat
new file mode 100644
index 000000000..d4d1d1e5a
--- /dev/null
+++ b/tests/regression_tests/collision_track/case_2_Cell_ID/results_true.dat
@@ -0,0 +1,2 @@
+k-combined:
+5.642735E-02 1.494035E-02
diff --git a/tests/regression_tests/collision_track/case_3_Material_ID/inputs_true.dat b/tests/regression_tests/collision_track/case_3_Material_ID/inputs_true.dat
new file mode 100644
index 000000000..61890414b
--- /dev/null
+++ b/tests/regression_tests/collision_track/case_3_Material_ID/inputs_true.dat
@@ -0,0 +1,58 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material id="1" depletable="true">
+      <density value="11.0" units="g/cm3"/>
+      <nuclide name="U234" ao="0.0004524"/>
+      <nuclide name="U235" ao="0.0506068"/>
+      <nuclide name="U238" ao="0.948709"/>
+      <nuclide name="U236" ao="0.0002318"/>
+      <nuclide name="O16" ao="2.0"/>
+    </material>
+    <material id="11">
+      <density value="1.0" units="g/cm3"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="5" fill="77" region="-5 4 -7 6 -9 8" universe="1"/>
+    <cell id="8" material="11" region="-11 10 -13 12 -15 14 (5 | -4 | 7 | -6 | 9 | -8)" universe="1"/>
+    <cell id="22" material="1" region="-1 2 -3" universe="77"/>
+    <cell id="33" material="11" region="1 | -2 | 3" universe="77"/>
+    <surface id="1" type="z-cylinder" coeffs="0.0 0.0 2.0"/>
+    <surface id="2" type="z-plane" coeffs="-2.0"/>
+    <surface id="3" type="z-plane" coeffs="2.0"/>
+    <surface id="4" type="x-plane" coeffs="-3.0"/>
+    <surface id="5" type="x-plane" coeffs="3.0"/>
+    <surface id="6" type="y-plane" coeffs="-3.0"/>
+    <surface id="7" type="y-plane" coeffs="3.0"/>
+    <surface id="8" type="z-plane" coeffs="-3.0"/>
+    <surface id="9" type="z-plane" coeffs="3.0"/>
+    <surface id="10" type="x-plane" boundary="vacuum" coeffs="-4.0"/>
+    <surface id="11" type="x-plane" boundary="vacuum" coeffs="4.0"/>
+    <surface id="12" type="y-plane" boundary="vacuum" coeffs="-4.0"/>
+    <surface id="13" type="y-plane" boundary="vacuum" coeffs="4.0"/>
+    <surface id="14" type="z-plane" boundary="vacuum" coeffs="-4.0"/>
+    <surface id="15" type="z-plane" boundary="vacuum" coeffs="4.0"/>
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>5</batches>
+    <inactive>1</inactive>
+    <source type="independent" strength="1.0" particle="neutron">
+      <space type="box">
+        <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
+      </space>
+      <constraints>
+        <fissionable>true</fissionable>
+      </constraints>
+    </source>
+    <collision_track>
+      <material_ids>1</material_ids>
+      <max_collisions>300</max_collisions>
+    </collision_track>
+    <seed>1</seed>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/collision_track/case_3_Material_ID/results_true.dat b/tests/regression_tests/collision_track/case_3_Material_ID/results_true.dat
new file mode 100644
index 000000000..d4d1d1e5a
--- /dev/null
+++ b/tests/regression_tests/collision_track/case_3_Material_ID/results_true.dat
@@ -0,0 +1,2 @@
+k-combined:
+5.642735E-02 1.494035E-02
diff --git a/tests/regression_tests/collision_track/case_4_Nuclide_ID/inputs_true.dat b/tests/regression_tests/collision_track/case_4_Nuclide_ID/inputs_true.dat
new file mode 100644
index 000000000..8960dde5c
--- /dev/null
+++ b/tests/regression_tests/collision_track/case_4_Nuclide_ID/inputs_true.dat
@@ -0,0 +1,58 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material id="1" depletable="true">
+      <density value="11.0" units="g/cm3"/>
+      <nuclide name="U234" ao="0.0004524"/>
+      <nuclide name="U235" ao="0.0506068"/>
+      <nuclide name="U238" ao="0.948709"/>
+      <nuclide name="U236" ao="0.0002318"/>
+      <nuclide name="O16" ao="2.0"/>
+    </material>
+    <material id="11">
+      <density value="1.0" units="g/cm3"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="5" fill="77" region="-5 4 -7 6 -9 8" universe="1"/>
+    <cell id="8" material="11" region="-11 10 -13 12 -15 14 (5 | -4 | 7 | -6 | 9 | -8)" universe="1"/>
+    <cell id="22" material="1" region="-1 2 -3" universe="77"/>
+    <cell id="33" material="11" region="1 | -2 | 3" universe="77"/>
+    <surface id="1" type="z-cylinder" coeffs="0.0 0.0 2.0"/>
+    <surface id="2" type="z-plane" coeffs="-2.0"/>
+    <surface id="3" type="z-plane" coeffs="2.0"/>
+    <surface id="4" type="x-plane" coeffs="-3.0"/>
+    <surface id="5" type="x-plane" coeffs="3.0"/>
+    <surface id="6" type="y-plane" coeffs="-3.0"/>
+    <surface id="7" type="y-plane" coeffs="3.0"/>
+    <surface id="8" type="z-plane" coeffs="-3.0"/>
+    <surface id="9" type="z-plane" coeffs="3.0"/>
+    <surface id="10" type="x-plane" boundary="vacuum" coeffs="-4.0"/>
+    <surface id="11" type="x-plane" boundary="vacuum" coeffs="4.0"/>
+    <surface id="12" type="y-plane" boundary="vacuum" coeffs="-4.0"/>
+    <surface id="13" type="y-plane" boundary="vacuum" coeffs="4.0"/>
+    <surface id="14" type="z-plane" boundary="vacuum" coeffs="-4.0"/>
+    <surface id="15" type="z-plane" boundary="vacuum" coeffs="4.0"/>
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>5</batches>
+    <inactive>1</inactive>
+    <source type="independent" strength="1.0" particle="neutron">
+      <space type="box">
+        <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
+      </space>
+      <constraints>
+        <fissionable>true</fissionable>
+      </constraints>
+    </source>
+    <collision_track>
+      <nuclides>O16 U235</nuclides>
+      <max_collisions>300</max_collisions>
+    </collision_track>
+    <seed>1</seed>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/collision_track/case_4_Nuclide_ID/results_true.dat b/tests/regression_tests/collision_track/case_4_Nuclide_ID/results_true.dat
new file mode 100644
index 000000000..d4d1d1e5a
--- /dev/null
+++ b/tests/regression_tests/collision_track/case_4_Nuclide_ID/results_true.dat
@@ -0,0 +1,2 @@
+k-combined:
+5.642735E-02 1.494035E-02
diff --git a/tests/regression_tests/collision_track/case_5_Universe_ID/inputs_true.dat b/tests/regression_tests/collision_track/case_5_Universe_ID/inputs_true.dat
new file mode 100644
index 000000000..8c0d7aa8e
--- /dev/null
+++ b/tests/regression_tests/collision_track/case_5_Universe_ID/inputs_true.dat
@@ -0,0 +1,59 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material id="1" depletable="true">
+      <density value="11.0" units="g/cm3"/>
+      <nuclide name="U234" ao="0.0004524"/>
+      <nuclide name="U235" ao="0.0506068"/>
+      <nuclide name="U238" ao="0.948709"/>
+      <nuclide name="U236" ao="0.0002318"/>
+      <nuclide name="O16" ao="2.0"/>
+    </material>
+    <material id="11">
+      <density value="1.0" units="g/cm3"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="5" fill="77" region="-5 4 -7 6 -9 8" universe="1"/>
+    <cell id="8" material="11" region="-11 10 -13 12 -15 14 (5 | -4 | 7 | -6 | 9 | -8)" universe="1"/>
+    <cell id="22" material="1" region="-1 2 -3" universe="77"/>
+    <cell id="33" material="11" region="1 | -2 | 3" universe="77"/>
+    <surface id="1" type="z-cylinder" coeffs="0.0 0.0 2.0"/>
+    <surface id="2" type="z-plane" coeffs="-2.0"/>
+    <surface id="3" type="z-plane" coeffs="2.0"/>
+    <surface id="4" type="x-plane" coeffs="-3.0"/>
+    <surface id="5" type="x-plane" coeffs="3.0"/>
+    <surface id="6" type="y-plane" coeffs="-3.0"/>
+    <surface id="7" type="y-plane" coeffs="3.0"/>
+    <surface id="8" type="z-plane" coeffs="-3.0"/>
+    <surface id="9" type="z-plane" coeffs="3.0"/>
+    <surface id="10" type="x-plane" boundary="vacuum" coeffs="-4.0"/>
+    <surface id="11" type="x-plane" boundary="vacuum" coeffs="4.0"/>
+    <surface id="12" type="y-plane" boundary="vacuum" coeffs="-4.0"/>
+    <surface id="13" type="y-plane" boundary="vacuum" coeffs="4.0"/>
+    <surface id="14" type="z-plane" boundary="vacuum" coeffs="-4.0"/>
+    <surface id="15" type="z-plane" boundary="vacuum" coeffs="4.0"/>
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>5</batches>
+    <inactive>1</inactive>
+    <source type="independent" strength="1.0" particle="neutron">
+      <space type="box">
+        <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
+      </space>
+      <constraints>
+        <fissionable>true</fissionable>
+      </constraints>
+    </source>
+    <collision_track>
+      <cell_ids>22</cell_ids>
+      <universe_ids>77</universe_ids>
+      <max_collisions>300</max_collisions>
+    </collision_track>
+    <seed>1</seed>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/collision_track/case_5_Universe_ID/results_true.dat b/tests/regression_tests/collision_track/case_5_Universe_ID/results_true.dat
new file mode 100644
index 000000000..d4d1d1e5a
--- /dev/null
+++ b/tests/regression_tests/collision_track/case_5_Universe_ID/results_true.dat
@@ -0,0 +1,2 @@
+k-combined:
+5.642735E-02 1.494035E-02
diff --git a/tests/regression_tests/collision_track/case_6_deposited_energy_threshold/inputs_true.dat b/tests/regression_tests/collision_track/case_6_deposited_energy_threshold/inputs_true.dat
new file mode 100644
index 000000000..5173dc35c
--- /dev/null
+++ b/tests/regression_tests/collision_track/case_6_deposited_energy_threshold/inputs_true.dat
@@ -0,0 +1,58 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material id="1" depletable="true">
+      <density value="11.0" units="g/cm3"/>
+      <nuclide name="U234" ao="0.0004524"/>
+      <nuclide name="U235" ao="0.0506068"/>
+      <nuclide name="U238" ao="0.948709"/>
+      <nuclide name="U236" ao="0.0002318"/>
+      <nuclide name="O16" ao="2.0"/>
+    </material>
+    <material id="11">
+      <density value="1.0" units="g/cm3"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="5" fill="77" region="-5 4 -7 6 -9 8" universe="1"/>
+    <cell id="8" material="11" region="-11 10 -13 12 -15 14 (5 | -4 | 7 | -6 | 9 | -8)" universe="1"/>
+    <cell id="22" material="1" region="-1 2 -3" universe="77"/>
+    <cell id="33" material="11" region="1 | -2 | 3" universe="77"/>
+    <surface id="1" type="z-cylinder" coeffs="0.0 0.0 2.0"/>
+    <surface id="2" type="z-plane" coeffs="-2.0"/>
+    <surface id="3" type="z-plane" coeffs="2.0"/>
+    <surface id="4" type="x-plane" coeffs="-3.0"/>
+    <surface id="5" type="x-plane" coeffs="3.0"/>
+    <surface id="6" type="y-plane" coeffs="-3.0"/>
+    <surface id="7" type="y-plane" coeffs="3.0"/>
+    <surface id="8" type="z-plane" coeffs="-3.0"/>
+    <surface id="9" type="z-plane" coeffs="3.0"/>
+    <surface id="10" type="x-plane" boundary="vacuum" coeffs="-4.0"/>
+    <surface id="11" type="x-plane" boundary="vacuum" coeffs="4.0"/>
+    <surface id="12" type="y-plane" boundary="vacuum" coeffs="-4.0"/>
+    <surface id="13" type="y-plane" boundary="vacuum" coeffs="4.0"/>
+    <surface id="14" type="z-plane" boundary="vacuum" coeffs="-4.0"/>
+    <surface id="15" type="z-plane" boundary="vacuum" coeffs="4.0"/>
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>5</batches>
+    <inactive>1</inactive>
+    <source type="independent" strength="1.0" particle="neutron">
+      <space type="box">
+        <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
+      </space>
+      <constraints>
+        <fissionable>true</fissionable>
+      </constraints>
+    </source>
+    <collision_track>
+      <deposited_E_threshold>550000.0</deposited_E_threshold>
+      <max_collisions>300</max_collisions>
+    </collision_track>
+    <seed>1</seed>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/collision_track/case_6_deposited_energy_threshold/results_true.dat b/tests/regression_tests/collision_track/case_6_deposited_energy_threshold/results_true.dat
new file mode 100644
index 000000000..d4d1d1e5a
--- /dev/null
+++ b/tests/regression_tests/collision_track/case_6_deposited_energy_threshold/results_true.dat
@@ -0,0 +1,2 @@
+k-combined:
+5.642735E-02 1.494035E-02
diff --git a/tests/regression_tests/collision_track/case_7_all_parameters_used_together/inputs_true.dat b/tests/regression_tests/collision_track/case_7_all_parameters_used_together/inputs_true.dat
new file mode 100644
index 000000000..005d9feb2
--- /dev/null
+++ b/tests/regression_tests/collision_track/case_7_all_parameters_used_together/inputs_true.dat
@@ -0,0 +1,63 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material id="1" depletable="true">
+      <density value="11.0" units="g/cm3"/>
+      <nuclide name="U234" ao="0.0004524"/>
+      <nuclide name="U235" ao="0.0506068"/>
+      <nuclide name="U238" ao="0.948709"/>
+      <nuclide name="U236" ao="0.0002318"/>
+      <nuclide name="O16" ao="2.0"/>
+    </material>
+    <material id="11">
+      <density value="1.0" units="g/cm3"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="5" fill="77" region="-5 4 -7 6 -9 8" universe="1"/>
+    <cell id="8" material="11" region="-11 10 -13 12 -15 14 (5 | -4 | 7 | -6 | 9 | -8)" universe="1"/>
+    <cell id="22" material="1" region="-1 2 -3" universe="77"/>
+    <cell id="33" material="11" region="1 | -2 | 3" universe="77"/>
+    <surface id="1" type="z-cylinder" coeffs="0.0 0.0 2.0"/>
+    <surface id="2" type="z-plane" coeffs="-2.0"/>
+    <surface id="3" type="z-plane" coeffs="2.0"/>
+    <surface id="4" type="x-plane" coeffs="-3.0"/>
+    <surface id="5" type="x-plane" coeffs="3.0"/>
+    <surface id="6" type="y-plane" coeffs="-3.0"/>
+    <surface id="7" type="y-plane" coeffs="3.0"/>
+    <surface id="8" type="z-plane" coeffs="-3.0"/>
+    <surface id="9" type="z-plane" coeffs="3.0"/>
+    <surface id="10" type="x-plane" boundary="vacuum" coeffs="-4.0"/>
+    <surface id="11" type="x-plane" boundary="vacuum" coeffs="4.0"/>
+    <surface id="12" type="y-plane" boundary="vacuum" coeffs="-4.0"/>
+    <surface id="13" type="y-plane" boundary="vacuum" coeffs="4.0"/>
+    <surface id="14" type="z-plane" boundary="vacuum" coeffs="-4.0"/>
+    <surface id="15" type="z-plane" boundary="vacuum" coeffs="4.0"/>
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>5</batches>
+    <inactive>1</inactive>
+    <source type="independent" strength="1.0" particle="neutron">
+      <space type="box">
+        <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
+      </space>
+      <constraints>
+        <fissionable>true</fissionable>
+      </constraints>
+    </source>
+    <collision_track>
+      <cell_ids>22 33</cell_ids>
+      <reactions>elastic 18 (n,disappear)</reactions>
+      <universe_ids>77</universe_ids>
+      <material_ids>1 11</material_ids>
+      <nuclides>U238 U235 H1 U234</nuclides>
+      <deposited_E_threshold>100000.0</deposited_E_threshold>
+      <max_collisions>300</max_collisions>
+    </collision_track>
+    <seed>1</seed>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/collision_track/case_7_all_parameters_used_together/results_true.dat b/tests/regression_tests/collision_track/case_7_all_parameters_used_together/results_true.dat
new file mode 100644
index 000000000..d4d1d1e5a
--- /dev/null
+++ b/tests/regression_tests/collision_track/case_7_all_parameters_used_together/results_true.dat
@@ -0,0 +1,2 @@
+k-combined:
+5.642735E-02 1.494035E-02
diff --git a/tests/regression_tests/collision_track/case_8_2threads/inputs_true.dat b/tests/regression_tests/collision_track/case_8_2threads/inputs_true.dat
new file mode 100644
index 000000000..514932c1a
--- /dev/null
+++ b/tests/regression_tests/collision_track/case_8_2threads/inputs_true.dat
@@ -0,0 +1,57 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material id="1" depletable="true">
+      <density value="11.0" units="g/cm3"/>
+      <nuclide name="U234" ao="0.0004524"/>
+      <nuclide name="U235" ao="0.0506068"/>
+      <nuclide name="U238" ao="0.948709"/>
+      <nuclide name="U236" ao="0.0002318"/>
+      <nuclide name="O16" ao="2.0"/>
+    </material>
+    <material id="11">
+      <density value="1.0" units="g/cm3"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="5" fill="77" region="-5 4 -7 6 -9 8" universe="1"/>
+    <cell id="8" material="11" region="-11 10 -13 12 -15 14 (5 | -4 | 7 | -6 | 9 | -8)" universe="1"/>
+    <cell id="22" material="1" region="-1 2 -3" universe="77"/>
+    <cell id="33" material="11" region="1 | -2 | 3" universe="77"/>
+    <surface id="1" type="z-cylinder" coeffs="0.0 0.0 2.0"/>
+    <surface id="2" type="z-plane" coeffs="-2.0"/>
+    <surface id="3" type="z-plane" coeffs="2.0"/>
+    <surface id="4" type="x-plane" coeffs="-3.0"/>
+    <surface id="5" type="x-plane" coeffs="3.0"/>
+    <surface id="6" type="y-plane" coeffs="-3.0"/>
+    <surface id="7" type="y-plane" coeffs="3.0"/>
+    <surface id="8" type="z-plane" coeffs="-3.0"/>
+    <surface id="9" type="z-plane" coeffs="3.0"/>
+    <surface id="10" type="x-plane" boundary="vacuum" coeffs="-4.0"/>
+    <surface id="11" type="x-plane" boundary="vacuum" coeffs="4.0"/>
+    <surface id="12" type="y-plane" boundary="vacuum" coeffs="-4.0"/>
+    <surface id="13" type="y-plane" boundary="vacuum" coeffs="4.0"/>
+    <surface id="14" type="z-plane" boundary="vacuum" coeffs="-4.0"/>
+    <surface id="15" type="z-plane" boundary="vacuum" coeffs="4.0"/>
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>5</batches>
+    <inactive>1</inactive>
+    <source type="independent" strength="1.0" particle="neutron">
+      <space type="box">
+        <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
+      </space>
+      <constraints>
+        <fissionable>true</fissionable>
+      </constraints>
+    </source>
+    <collision_track>
+      <max_collisions>200</max_collisions>
+    </collision_track>
+    <seed>1</seed>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/collision_track/case_8_2threads/results_true.dat b/tests/regression_tests/collision_track/case_8_2threads/results_true.dat
new file mode 100644
index 000000000..d4d1d1e5a
--- /dev/null
+++ b/tests/regression_tests/collision_track/case_8_2threads/results_true.dat
@@ -0,0 +1,2 @@
+k-combined:
+5.642735E-02 1.494035E-02
diff --git a/tests/regression_tests/collision_track/test.py b/tests/regression_tests/collision_track/test.py
new file mode 100644
index 000000000..00e1e3de4
--- /dev/null
+++ b/tests/regression_tests/collision_track/test.py
@@ -0,0 +1,255 @@
+"""Test the 'collision_track' setting.
+
+Results
+-------
+
+All results are generated using only 1 MPI process.
+
+All results are generated using 1 thread except for "test_consistency_low_realization_number".
+This specific test verifies that when the number of realization (i.e., point being candidate
+to be stored) is lower than the capacity, results are reproducible even with multiple
+threads (i.e., there is no potential thread competition that would produce different
+results in that case).
+
+All results are generated using the history-based mode except for cases e01 to e03.
+
+All results are visually verified using the '_visualize.py' script in the regression test folder.
+
+OpenMC models
+-------------
+
+Four OpenMC models with CSG-only geometries are used to cover the transmission, vacuum,
+reflective and periodic Boundary Conditions (BC):
+
+- model_1: cylindrical core in 2 boxes (vacuum and transmission BC),
+
+# Test cases for simulation parameters using CSG-only geometries
+# ============================================================
+# Each test case is defined by a combination of folder name, model name, and specific parameters.
+# Below is a summary of the parameters used in the test cases:
+#
+# - max_collisions: Maximum number of particles to track in the simulation.
+# - reactions: List of MT numbers (reaction types- 2 for scattering, 18 for fission, 101 for absorbtion).
+# - cell_ids: IDs of specific cells in the model.
+# - mat_ids: Material IDs for filtering particles.
+# - nuclides: Nuclides for filtering particles.
+# - univ_ids: Universe IDs for filtering particles.
+# - E_threshold: Energy threshold for filtering particles (optional).
+#
+# The test cases are designed to validate the behavior of the simulation under various configurations.
+
+*: BC stands for Boundary Conditions, T for Transmission, R for Reflective, and V for Vacuum.
+
+An additional case, called 'case-a01', is used to check that the results are comparable when
+the number of threads is set to 2 if the number of realization is lower than the capacity.
+
+
+*: BC stands for Boundary Conditions, T for Transmission, and V for Vacuum.
+
+Notes:
+
+- The test cases list is non-exhaustive compared to the number of possible combinations.
+  Test cases have been selected based on use and internal code logic.
+
+
+
+TODO:
+
+- Test with a lattice.
+
+"""
+
+import os
+
+import openmc
+import openmc.lib
+import pytest
+
+from tests.testing_harness import CollisionTrackTestHarness
+from tests.regression_tests import config
+
+
+@pytest.fixture(scope="function")
+def two_threads(monkeypatch):
+    """Set the number of OMP threads to 2 for the test."""
+    monkeypatch.setenv("OMP_NUM_THREADS", "2")
+
+
+@pytest.fixture(scope="function")
+def single_process(monkeypatch):
+    """Set the number of MPI process to 1 for the test."""
+    monkeypatch.setitem(config, "mpi_np", "1")
+
+
+@pytest.fixture(scope="module")
+def model_1():
+    """Cylindrical core contained in a first box which is contained in a larger box.
+    A lower universe is used to describe the interior of the first box which
+    contains the core and its surrounding space.
+
+    """
+    openmc.reset_auto_ids()
+    model = openmc.Model()
+
+    # =============================================================================
+    # Materials
+    # =============================================================================
+
+    fuel = openmc.Material(material_id=1)
+    fuel.add_nuclide("U234", 0.0004524)
+    fuel.add_nuclide("U235", 0.0506068)
+    fuel.add_nuclide("U238", 0.9487090)
+    fuel.add_nuclide("U236", 0.0002318)
+    fuel.add_nuclide("O16", 2.0)
+    fuel.set_density("g/cm3", 11.0)
+
+    water = openmc.Material(material_id=11)
+    water.add_nuclide("H1", 2.0)
+    water.add_nuclide("O16", 1.0)
+    water.set_density("g/cm3", 1.0)
+
+    # =============================================================================
+    # Geometry
+    # =============================================================================
+
+    # -----------------------------------------------------------------------------
+    # Cylindrical core
+    # -----------------------------------------------------------------------------
+
+    # Parameters
+    core_radius = 2.0
+    core_height = 4.0
+
+    # Surfaces
+    core_cylinder = openmc.ZCylinder(r=core_radius)
+    core_lower_plane = openmc.ZPlane(-core_height / 2.0)
+    core_upper_plane = openmc.ZPlane(core_height / 2.0)
+
+    # Region
+    core_region = -core_cylinder & +core_lower_plane & -core_upper_plane
+
+    # Cells
+    core = openmc.Cell(fill=fuel, region=core_region, cell_id=22)
+    outside_core_region = +core_cylinder | -core_lower_plane | +core_upper_plane
+    outside_core = openmc.Cell(
+        fill=water, region=outside_core_region, cell_id=33)
+
+    # Universe
+    inside_box1_universe = openmc.Universe(
+        cells=[core, outside_core], universe_id=77)
+
+    # -----------------------------------------------------------------------------
+    # Box 1
+    # -----------------------------------------------------------------------------
+
+    # Parameters
+    box1_size = 6.0
+
+    # Surfaces
+    box1_rpp = openmc.model.RectangularParallelepiped(
+        -box1_size / 2.0, box1_size / 2.0,
+        -box1_size / 2.0, box1_size / 2.0,
+        -box1_size / 2.0, box1_size / 2.0,
+    )
+
+    # Cell
+    box1 = openmc.Cell(fill=inside_box1_universe, region=-box1_rpp, cell_id=5)
+
+    # -----------------------------------------------------------------------------
+    # Box 2
+    # -----------------------------------------------------------------------------
+
+    # Parameters
+    box2_size = 8
+
+    # Surfaces
+    box2_rpp = openmc.model.RectangularParallelepiped(
+        -box2_size / 2.0, box2_size / 2.0,
+        -box2_size / 2.0, box2_size / 2.0,
+        -box2_size / 2.0, box2_size / 2.0,
+        boundary_type="vacuum"
+    )
+
+    # Cell
+    box2 = openmc.Cell(fill=water, region=-box2_rpp & +box1_rpp, cell_id=8)
+
+    # Register geometry
+    model.geometry = openmc.Geometry([box1, box2])
+
+    # =============================================================================
+    # Settings
+    # =============================================================================
+
+    model.settings = openmc.Settings()
+    model.settings.particles = 100
+    model.settings.batches = 5
+    model.settings.inactive = 1
+    model.settings.seed = 1
+
+    bounds = [
+        -core_radius,
+        -core_radius,
+        -core_height / 2.0,
+        core_radius,
+        core_radius,
+        core_height / 2.0,
+    ]
+    distribution = openmc.stats.Box(bounds[:3], bounds[3:])
+    model.settings.source = openmc.IndependentSource(
+        space=distribution, constraints={'fissionable': True})
+
+    return model
+
+
+@pytest.mark.parametrize(
+    "folder, model_name, parameter",
+    [("case_1_Reactions", "model_1", {"max_collisions": 300, "reactions": ["(n,fission)", 101]}),
+        ("case_2_Cell_ID", "model_1", {
+         "max_collisions": 300, "cell_ids": [22]}),
+        ("case_3_Material_ID", "model_1", {
+         "max_collisions": 300, "material_ids": [1]}),
+        ("case_4_Nuclide_ID", "model_1", {
+         "max_collisions": 300, "nuclides": ["O16", "U235"]}),
+        ("case_5_Universe_ID", "model_1", {
+         "max_collisions": 300, "cell_ids": [22], "universe_ids": [77]}),
+        ("case_6_deposited_energy_threshold", "model_1", {
+         "max_collisions": 300, "deposited_E_threshold": 5.5e5}),
+        ("case_7_all_parameters_used_together", "model_1", {
+            "max_collisions": 300,
+            "reactions": ["elastic", 18, "(n,disappear)"],
+            "material_ids": [1, 11],
+            "universe_ids": [77],
+            "nuclides": ["U238", "U235", "H1", "U234"],
+            "cell_ids": [22, 33],
+            "deposited_E_threshold": 1e5})
+     ],
+)
+def test_collision_track_several_cases(
+    folder, model_name, parameter, request
+):
+    # Since for these tests the actual number of collisions recorded is < max_collisions,
+    # we can run them with 1 or 2 threads, and in history or event mode.
+    model = request.getfixturevalue(model_name)
+    model.settings.collision_track = parameter
+    harness = CollisionTrackTestHarness(
+        "statepoint.5.h5", model=model, workdir=folder
+    )
+    harness.main()
+
+
+@pytest.mark.skipif(config["event"], reason="Results from history-based mode.")
+def test_collision_track_2threads(model_1, two_threads, single_process):
+    # This test checks that the `max_collisions` setting is honored:
+    # no collisions beyond the specified limit should be recorded.
+    #
+    # For the result to be reproducible, the number of threads and
+    # the transport mode (history vs. event) must remain fixed.
+    assert os.environ["OMP_NUM_THREADS"] == "2"
+    assert config["mpi_np"] == "1"
+    model_1.settings.collision_track = {
+        "max_collisions": 200
+    }
+    harness = CollisionTrackTestHarness(
+        "statepoint.5.h5", model=model_1, workdir="case_8_2threads"
+    )
+    harness.main()
diff --git a/tests/testing_harness.py b/tests/testing_harness.py
index 11ced5b38..1ad91b7a8 100644
--- a/tests/testing_harness.py
+++ b/tests/testing_harness.py
@@ -68,7 +68,7 @@ class TestHarness:
         if config['mpi']:
             mpi_args = [config['mpiexec'], '-n', config['mpi_np']]
             openmc.run(openmc_exec=config['exe'], mpi_args=mpi_args,
-              event_based=config['event'])
+                       event_based=config['event'])
         else:
             openmc.run(openmc_exec=config['exe'], event_based=config['event'])
 
@@ -305,9 +305,12 @@ class PyAPITestHarness(TestHarness):
         else:
             self.execute_test()
 
-    def execute_test(self):
+    def execute_test(self, change_dir=False):
         """Build input XMLs, run OpenMC, and verify correct results."""
+        base_dir = os.getcwd() if change_dir else None
         try:
+            if change_dir:
+                os.chdir(self.workdir)
             self._build_inputs()
             inputs = self._get_inputs()
             self._write_inputs(inputs)
@@ -319,10 +322,15 @@ class PyAPITestHarness(TestHarness):
             self._compare_results()
         finally:
             self._cleanup()
+            if base_dir:
+                os.chdir(base_dir)
 
-    def update_results(self):
+    def update_results(self, change_dir=False):
         """Update results_true.dat and inputs_true.dat"""
+        base_dir = os.getcwd() if change_dir else None
         try:
+            if change_dir:
+                os.chdir(self.workdir)
             self._build_inputs()
             inputs = self._get_inputs()
             self._write_inputs(inputs)
@@ -334,6 +342,8 @@ class PyAPITestHarness(TestHarness):
             self._overwrite_results()
         finally:
             self._cleanup()
+            if base_dir:
+                os.chdir(base_dir)
 
     def _build_inputs(self):
         """Write input XML files."""
@@ -371,7 +381,8 @@ class PyAPITestHarness(TestHarness):
         """Delete XMLs, statepoints, tally, and test files."""
         super()._cleanup()
         output = ['materials.xml', 'geometry.xml', 'settings.xml',
-                  'tallies.xml', 'plots.xml', 'inputs_test.dat', 'model.xml']
+                  'tallies.xml', 'plots.xml', 'inputs_test.dat', 'model.xml',
+                  'collision_track.h5', 'collision_track.mcpl']
         for f in output:
             if os.path.exists(f):
                 os.remove(f)
@@ -389,6 +400,7 @@ class TolerantPyAPITestHarness(PyAPITestHarness):
     due to single precision usage (e.g., as in the random ray solver).
 
     """
+
     def _are_files_equal(self, actual_path, expected_path, tolerance):
         def isfloat(value):
             try:
@@ -428,7 +440,8 @@ class TolerantPyAPITestHarness(PyAPITestHarness):
 
     def _compare_results(self):
         """Make sure the current results agree with the reference."""
-        compare = self._are_files_equal('results_test.dat', 'results_true.dat', 1e-6)
+        compare = self._are_files_equal(
+            'results_test.dat', 'results_true.dat', 1e-6)
         if not compare:
             expected = open('results_true.dat').readlines()
             actual = open('results_test.dat').readlines()
@@ -476,6 +489,7 @@ class WeightWindowPyAPITestHarness(PyAPITestHarness):
 
 class PlotTestHarness(TestHarness):
     """Specialized TestHarness for running OpenMC plotting tests."""
+
     def __init__(self, plot_names, voxel_convert_checks=[]):
         super().__init__(None)
         self._plot_names = plot_names
@@ -523,3 +537,105 @@ class PlotTestHarness(TestHarness):
         outstr = sha512.hexdigest()
 
         return outstr
+
+
+class CollisionTrackTestHarness(PyAPITestHarness):
+    def __init__(self, statepoint_name, model=None, inputs_true=None, workdir=None):
+        super().__init__(statepoint_name, model, inputs_true)
+        self.workdir = workdir
+
+    def _test_output_created(self):
+        """Make sure collision_track.h5 has also been created."""
+        super()._test_output_created()
+        if self._model.settings.collision_track:
+            assert os.path.exists(
+                "collision_track.h5"
+            ), "collision_track file has not been created."
+
+    def _compare_output(self):
+        """Compare collision_track.h5 files."""
+        if self._model.settings.collision_track:
+            collision_track_true = self._return_collision_track_data(
+                "collision_track_true.h5")
+            collision_track_test = self._return_collision_track_data(
+                "collision_track.h5")
+            np.testing.assert_allclose(
+                collision_track_true, collision_track_test, rtol=1e-07)
+
+    def main(self):
+        """Accept commandline arguments and either run or update tests."""
+        if config["build_inputs"]:
+            self.build_inputs()
+        elif config["update"]:
+            self.update_results(change_dir=True)
+        else:
+            self.execute_test(change_dir=True)
+
+    def build_inputs(self):
+        """Build inputs."""
+        base_dir = os.getcwd()
+        try:
+            os.chdir(self.workdir)
+            self._build_inputs()
+        finally:
+            os.chdir(base_dir)
+
+    def _overwrite_results(self):
+        """Also add the 'collision_track.h5' file during overwriting."""
+        super()._overwrite_results()
+        if os.path.exists("collision_track.h5"):
+            shutil.copyfile("collision_track.h5", "collision_track_true.h5")
+
+    @staticmethod
+    def _return_collision_track_data(filepath):
+        """
+        Read a collision_track file and return a sorted array composed
+        of flatten arrays of collision information.
+
+        Parameters
+        ----------
+        filepath : str
+            Path to the collision_track file
+
+        Returns
+        -------
+        data : np.array
+            Sorted array composed of flatten arrays of collision_track data for
+            each collision information
+        """
+        data = []
+        keys = []
+
+        # Read source file
+        source = openmc.read_collision_track_file(filepath)
+        for src in source:
+            r = src['r']
+            u = src['u']
+            e = src['E']
+            de = src['dE']
+            time = src['time']
+            wgt = src['wgt']
+            delayed_group = src['delayed_group']
+            cell_id = src['cell_id']
+            nuclide_id = src['nuclide_id']
+            material_id = src['material_id']
+            universe_id = src['universe_id']
+            n_collision = src['n_collision']
+            event_mt = src['event_mt']
+            key = (
+                f"{r[0]:.10e} {r[1]:.10e} {r[2]:.10e} {u[0]:.10e} {u[1]:.10e} {u[2]:.10e}"
+                f"{e:.10e} {de:.10e}  {time:.10e} {wgt:.10e} {event_mt} {delayed_group} {cell_id}"
+                f"{nuclide_id} {material_id} {universe_id} {n_collision} "
+            )
+            keys.append(key)
+            values = [*r, *u, e, de, time, wgt, event_mt,
+                      delayed_group, cell_id, nuclide_id, material_id,
+                      universe_id, n_collision]
+            assert len(values) == 17
+            data.append(values)
+
+        data = np.array(data)
+        keys = np.array(keys)
+        sorted_idx = np.argsort(keys, kind='stable')
+
+        return data[sorted_idx]
diff --git a/tests/unit_tests/test_collision_track.py b/tests/unit_tests/test_collision_track.py
new file mode 100644
index 000000000..9bc6a8c15
--- /dev/null
+++ b/tests/unit_tests/test_collision_track.py
@@ -0,0 +1,127 @@
+"""Test the 'collision_track' setting used to store particle information
+during specified collision conditions in a file for a given simulation."""
+
+import openmc
+import pytest
+import h5py
+import numpy as np
+
+from tests.testing_harness import CollisionTrackTestHarness as ctt
+
+
+@pytest.fixture(scope="module")
+def geometry():
+    """Simple hydrogen sphere geometry"""
+    openmc.reset_auto_ids()
+    material = openmc.Material(name="H1")
+    material.add_element("H", 1.0)
+    sphere = openmc.Sphere(r=1.0, boundary_type="vacuum")
+    cell = openmc.Cell(region=-sphere, fill=material)
+    return openmc.Geometry([cell])
+
+
+@pytest.mark.parametrize(
+    "parameter",
+    [
+        {"max_collisions": 200},
+        {"max_collisions": 200, "reactions": ["(n,disappear)"]},
+        {"max_collisions": 200, "cell_ids": [1]},
+        {"max_collisions": 200, "material_ids": [1]},
+        {"max_collisions": 200, "universe_ids": [1]},
+        {"max_collisions": 200, "nuclides": ["H1"]},
+        {"max_collisions": 200, "deposited_E_threshold": 200000.0},
+        {"max_collisions": 200, "mcpl": True}
+
+    ],
+)
+def test_xml_serialization(parameter, run_in_tmpdir):
+    """Check that the different use cases can be written and read in XML."""
+    settings = openmc.Settings()
+    settings.collision_track = parameter
+    settings.export_to_xml()
+
+    read_settings = openmc.Settings.from_xml()
+    assert read_settings.collision_track == parameter
+
+
+@pytest.fixture(scope="module")
+def model():
+    """Simple hydrogen sphere divided in two hemispheres
+    by a z-plane to form 2 cells."""
+    openmc.reset_auto_ids()
+    model = openmc.Model()
+
+    # Material
+    material = openmc.Material(name="H1")
+    material.add_element("H", 1.0)
+
+    # Geometry
+    radius = 1.0
+    sphere = openmc.Sphere(r=radius, boundary_type="reflective")
+    plane = openmc.ZPlane(0.0)
+    cell_1 = openmc.Cell(region=-sphere & -plane, fill=material, cell_id=1)
+    cell_2 = openmc.Cell(region=-sphere & +plane, fill=material, cell_id=2)
+    root = openmc.Universe(cells=[cell_1, cell_2])
+    model.geometry = openmc.Geometry(root)
+
+    # Settings
+    model.settings = openmc.Settings()
+    model.settings.run_mode = "fixed source"
+    model.settings.particles = 1
+    model.settings.batches = 1
+    model.settings.seed = 2
+
+    bounds = [-radius, -radius, -radius, radius, radius, radius]
+    distribution = openmc.stats.Box(bounds[:3], bounds[3:])
+    model.settings.source = openmc.IndependentSource(space=distribution)
+
+    return model
+
+
+def test_particle_location(run_in_tmpdir, model):
+    """Test the location of particles with respected to the "cell_ids"
+    and the location x, y, z of the particle itself. the upper sphere will
+    have positive z component and the bottom sphere a negative z compnent.
+
+    """
+    model.settings.collision_track = {
+        "max_collisions": 200,
+        "reactions": ["elastic"],
+        "cell_ids": [1, 2]
+    }
+    model.run()
+
+    with h5py.File("collision_track.h5", "r") as f:
+        source = f["collision_track_bank"]
+
+        assert len(source) == 60
+
+        # We want to verify that the collisions happenening are in the right cells
+        # and the position of the particle is either positive or negative relative
+        # to the z plane. In this case, we track the position of the particle
+        # relative to the cell_id already set.
+        for point in source:
+            if point['cell_id'] == 1:
+                assert point['r'][2] < 0.0  # z component negative
+            elif point['cell_id'] == 2:
+                assert point["r"][2] > 0.0  # z component positive
+            else:
+                assert False
+
+
+def test_format_similarity(run_in_tmpdir, model):
+    model.settings.collision_track = {"max_collisions": 200, "reactions": ['elastic'],
+                                      "cell_ids": [1, 2], "mcpl": False}
+    model.run()
+    data_h5 = ctt._return_collision_track_data('collision_track.h5')
+
+    model.settings.collision_track["mcpl"] = True
+    model.run()
+    data_mcpl = ctt._return_collision_track_data('collision_track.mcpl')
+
+    assert len(data_h5) == 60
+    assert len(data_mcpl) == 60
+
+    np.testing.assert_allclose(data_h5, data_mcpl, rtol=1e-05)
+    # tolerance not that low due to the strings that is saved in MCPL,
+    # not enough precision!

From 8d618716b55d92e892314d966ac75ffe5b19b7d7 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 13 Nov 2025 17:14:39 -0600
Subject: [PATCH 2434/2654] Avoid multiprocessing Pool when running depletion
 tests with MPI (#3633)

---
 tests/conftest.py                             | 21 +++++++++++++++++--
 .../deplete_no_transport/test.py              |  4 ++++
 .../deplete_with_transport/test.py            |  2 ++
 3 files changed, 25 insertions(+), 2 deletions(-)

diff --git a/tests/conftest.py b/tests/conftest.py
index fa6718502..71dd5ebf5 100644
--- a/tests/conftest.py
+++ b/tests/conftest.py
@@ -29,12 +29,29 @@ def run_in_tmpdir(tmpdir):
         yield
     finally:
         orig.chdir()
-        
+
 @pytest.fixture(scope="module")
 def endf_data():
-    return os.environ['OPENMC_ENDF_DATA']        
+    return os.environ['OPENMC_ENDF_DATA']
 
 @pytest.fixture(scope='session', autouse=True)
 def resolve_paths():
     with openmc.config.patch('resolve_paths', False):
         yield
+
+
+@pytest.fixture(scope='session', autouse=True)
+def disable_depletion_multiprocessing_under_mpi():
+    """Fork-based depletion multiprocessing may deadlock if MPI is active."""
+    if not regression_config['mpi']:
+        yield
+        return
+
+    from openmc.deplete import pool
+
+    original_setting = pool.USE_MULTIPROCESSING
+    pool.USE_MULTIPROCESSING = False
+    try:
+        yield
+    finally:
+        pool.USE_MULTIPROCESSING = original_setting
diff --git a/tests/regression_tests/deplete_no_transport/test.py b/tests/regression_tests/deplete_no_transport/test.py
index 63ae584e1..5550ad048 100644
--- a/tests/regression_tests/deplete_no_transport/test.py
+++ b/tests/regression_tests/deplete_no_transport/test.py
@@ -76,6 +76,8 @@ def test_against_self(run_in_tmpdir,
     dt = [360]  # single step
 
     # Perform simulation using the predictor algorithm
+    if config['mpi'] and multiproc:
+        pytest.skip("Multiprocessing depletion is disabled when MPI is enabled.")
     openmc.deplete.pool.USE_MULTIPROCESSING = multiproc
     openmc.deplete.PredictorIntegrator(op,
                                        dt,
@@ -135,6 +137,8 @@ def test_against_coupled(run_in_tmpdir,
     dt = [dt]  # single step
 
     # Perform simulation using the predictor algorithm
+    if config['mpi'] and multiproc:
+        pytest.skip("Multiprocessing depletion is disabled when MPI is enabled.")
     openmc.deplete.pool.USE_MULTIPROCESSING = multiproc
     openmc.deplete.PredictorIntegrator(
         op, dt, power=174, timestep_units=time_units).integrate()
diff --git a/tests/regression_tests/deplete_with_transport/test.py b/tests/regression_tests/deplete_with_transport/test.py
index 0f7ebf00f..a2be22c56 100644
--- a/tests/regression_tests/deplete_with_transport/test.py
+++ b/tests/regression_tests/deplete_with_transport/test.py
@@ -65,6 +65,8 @@ def test_full(run_in_tmpdir, problem, multiproc):
     power = 2.337e15*4*JOULE_PER_EV*1e6  # MeV/second cm from CASMO
 
     # Perform simulation using the predictor algorithm
+    if config['mpi'] and multiproc:
+        pytest.skip("Multiprocessing depletion is disabled when MPI is enabled.")
     openmc.deplete.pool.USE_MULTIPROCESSING = multiproc
     openmc.deplete.PredictorIntegrator(op, dt, power).integrate()
 

From 7815d3a680de21362e7fec64c871ecbab1150421 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 13 Nov 2025 23:27:17 -0600
Subject: [PATCH 2435/2654] Fix typo in DAGMC lost particle test (#3634)

---
 tests/unit_tests/dagmc/test_lost_particles.py | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/tests/unit_tests/dagmc/test_lost_particles.py b/tests/unit_tests/dagmc/test_lost_particles.py
index 502bd795e..3a4166009 100644
--- a/tests/unit_tests/dagmc/test_lost_particles.py
+++ b/tests/unit_tests/dagmc/test_lost_particles.py
@@ -70,12 +70,12 @@ def test_lost_particles(run_in_tmpdir, broken_dagmc_model):
         openmc.run()
 
     # run this again, but with the dagmc universe as the root unvierse
+    # to ensure that lost particles are still caught in this case
     for univ in broken_dagmc_model.geometry.get_all_universes().values():
         if isinstance(univ, openmc.DAGMCUniverse):
-            broken_dagmc_model.geometry.root_unvierse = univ
+            broken_dagmc_model.geometry.root_universe = univ
             break
 
     broken_dagmc_model.export_to_xml()
     with pytest.raises(RuntimeError, match='Maximum number of lost particles has been reached.'):
         openmc.run()
-

From 5c63e0df21a25e2c9a25f8be6cfd23a09d6007b3 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 18 Nov 2025 17:57:12 -0600
Subject: [PATCH 2436/2654] Fix a few warnings, rename add_to_tallies_file
 (#3639)

---
 docs/source/usersguide/random_ray.rst         |  2 +-
 openmc/deplete/chain.py                       | 13 +++---
 openmc/mgxs/library.py                        | 18 +++++---
 openmc/mgxs/mgxs.py                           |  4 +-
 openmc/model/model.py                         |  6 +--
 openmc/tallies.py                             | 45 +++++++------------
 .../mgxs_library_ce_to_mg/test.py             |  2 +-
 .../mgxs_library_ce_to_mg_nuclides/test.py    |  2 +-
 .../mgxs_library_condense/test.py             |  2 +-
 .../mgxs_library_correction/test.py           |  2 +-
 .../mgxs_library_distribcell/test.py          |  2 +-
 .../mgxs_library_hdf5/test.py                 |  2 +-
 .../mgxs_library_histogram/test.py            |  2 +-
 .../mgxs_library_mesh/test.py                 |  2 +-
 .../mgxs_library_no_nuclides/test.py          |  2 +-
 .../mgxs_library_nuclides/test.py             |  2 +-
 .../mgxs_library_specific_nuclides/test.py    |  2 +-
 17 files changed, 54 insertions(+), 56 deletions(-)

diff --git a/docs/source/usersguide/random_ray.rst b/docs/source/usersguide/random_ray.rst
index 138ae910c..d5d752a83 100644
--- a/docs/source/usersguide/random_ray.rst
+++ b/docs/source/usersguide/random_ray.rst
@@ -765,7 +765,7 @@ energy decomposition::
 
   # Create a "tallies.xml" file for the MGXS Library
   tallies = openmc.Tallies()
-  mgxs_lib.add_to_tallies_file(tallies, merge=True)
+  mgxs_lib.add_to_tallies(tallies, merge=True)
 
   # Export
   tallies.export_to_xml()
diff --git a/openmc/deplete/chain.py b/openmc/deplete/chain.py
index f34416d56..873d7ca89 100644
--- a/openmc/deplete/chain.py
+++ b/openmc/deplete/chain.py
@@ -630,7 +630,7 @@ class Chain:
 
         n = len(self)
 
-        # we accumulate indices and value entries for everything and create the matrix 
+        # we accumulate indices and value entries for everything and create the matrix
         # in one step at the end to avoid expensive index checks scipy otherwise does.
         rows, cols, vals = [], [], []
         def setval(i, j, val):
@@ -716,14 +716,17 @@ class Chain:
         return sp.csc_matrix((vals, (rows, cols)), shape=(n, n))
 
     def add_redox_term(self, matrix, buffer, oxidation_states):
-        """Adds a redox term to the depletion matrix from data contained in
+        r"""Adds a redox term to the depletion matrix from data contained in
         the matrix itself and a few user-inputs.
 
         The redox term to add to the buffer nuclide :math:`N_j` can be written
-        as: :math:`\frac{dN_j(t)}{dt} =
-                \cdots - \frac{1}{OS_j}\sum_i N_i a_{ij} \cdot OS_i `
+        as:
 
-        where :math:`OS` is the oxidation states vector and `a_{ij}` the
+        .. math::
+            \frac{dN_j(t)}{dt} = \cdots - \frac{1}{OS_j}\sum_i N_i a_{ij}
+            \cdot OS_i
+
+        where :math:`OS` is the oxidation states vector and :math:`a_{ij}` the
         corresponding term in the Bateman matrix.
 
         Parameters
diff --git a/openmc/mgxs/library.py b/openmc/mgxs/library.py
index f782cbe9e..b476de902 100644
--- a/openmc/mgxs/library.py
+++ b/openmc/mgxs/library.py
@@ -556,14 +556,14 @@ class Library:
 
                 self.all_mgxs[domain.id][mgxs_type] = mgxs
 
-    def add_to_tallies_file(self, tallies_file, merge=True):
-        """Add all tallies from all MGXS objects to a tallies file.
+    def add_to_tallies(self, tallies, merge=True):
+        """Add tallies from all MGXS objects to a tallies object.
 
         NOTE: This assumes that :meth:`Library.build_library` has been called
 
         Parameters
         ----------
-        tallies_file : openmc.Tallies
+        tallies : openmc.Tallies
             A Tallies collection to add each MGXS' tallies to generate a
             'tallies.xml' input file for OpenMC
         merge : bool
@@ -572,7 +572,7 @@ class Library:
 
         """
 
-        cv.check_type('tallies_file', tallies_file, openmc.Tallies)
+        cv.check_type('tallies', tallies, openmc.Tallies)
 
         # Add tallies from each MGXS for each domain and mgxs type
         for domain in self.domains:
@@ -587,7 +587,15 @@ class Library:
                             = list(range(1, self.num_delayed_groups + 1))
 
                 for tally in mgxs.tallies.values():
-                    tallies_file.append(tally, merge=merge)
+                    tallies.append(tally, merge=merge)
+
+    def add_to_tallies_file(self, tallies_file, merge=True):
+        warn(
+            "The Library.add_to_tallies_file(...) method has been renamed to"
+            "add_to_tallies(...) and will be removed in a future version of "
+            "OpenMC.", FutureWarning
+        )
+        self.add_to_tallies(tallies_file, merge=merge)
 
     def load_from_statepoint(self, statepoint):
         """Extracts tallies in an OpenMC StatePoint with the data needed to
diff --git a/openmc/mgxs/mgxs.py b/openmc/mgxs/mgxs.py
index 533ab0ad3..f621db092 100644
--- a/openmc/mgxs/mgxs.py
+++ b/openmc/mgxs/mgxs.py
@@ -2127,8 +2127,8 @@ class MGXS:
             df['std. dev.'] /= np.tile(densities, tile_factor)
 
             # Replace NaNs by zeros (happens if nuclide density is zero)
-            df['mean'].replace(np.nan, 0.0, inplace=True)
-            df['std. dev.'].replace(np.nan, 0.0, inplace=True)
+            df['mean'] = df['mean'].replace(np.nan, 0.0)
+            df['std. dev.'] = df['std. dev.'].replace(np.nan, 0.0)
 
         # Sort the dataframe by domain type id (e.g., distribcell id) and
         # energy groups such that data is from fast to thermal
diff --git a/openmc/model/model.py b/openmc/model/model.py
index 64294c23c..10e5cbfc7 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -1791,7 +1791,7 @@ class Model:
             mgxs_lib.build_library()
 
             # Create a "tallies.xml" file for the MGXS Library
-            mgxs_lib.add_to_tallies_file(model.tallies, merge=True)
+            mgxs_lib.add_to_tallies(model.tallies, merge=True)
 
             # Run
             statepoint_filename = model.run(cwd=directory)
@@ -1980,7 +1980,7 @@ class Model:
         mgxs_lib.build_library()
 
         # Create a "tallies.xml" file for the MGXS Library
-        mgxs_lib.add_to_tallies_file(model.tallies, merge=True)
+        mgxs_lib.add_to_tallies(model.tallies, merge=True)
 
         # Run
         statepoint_filename = model.run(cwd=directory)
@@ -2075,7 +2075,7 @@ class Model:
         mgxs_lib.build_library()
 
         # Create a "tallies.xml" file for the MGXS Library
-        mgxs_lib.add_to_tallies_file(model.tallies, merge=True)
+        mgxs_lib.add_to_tallies(model.tallies, merge=True)
 
         # Run
         statepoint_filename = model.run(cwd=directory)
diff --git a/openmc/tallies.py b/openmc/tallies.py
index 25ec29a58..add356579 100644
--- a/openmc/tallies.py
+++ b/openmc/tallies.py
@@ -738,13 +738,9 @@ class Tally(IDManagerMixin):
 
         Notes
         -----
-        This test is based on D'Agostino and Pearson's test [1]_. The test
-        requires at least 8 realizations to produce valid results.
-
-        References
-        ----------
-        .. [1] D'Agostino, R. B. (1971), "An omnibus test of normality for
-               moderate and large sample size", Biometrika, 58, 341-348
+        This test is based on `D'Agostino and Pearson's test
+        <https://doi.org/10.1093/biomet/60.3.613>`_. The test requires at least
+        8 realizations to produce valid results.
 
         """
         n = self.num_realizations
@@ -788,8 +784,8 @@ class Tally(IDManagerMixin):
         Parameters
         ----------
         alternative : {'two-sided', 'less', 'greater'}, optional
-            Defines the alternative hypothesis. Default is 'two-sided'.
-            The following options are available:
+            Defines the alternative hypothesis. Default is 'two-sided'. The
+            following options are available:
 
             * 'two-sided': the kurtosis of the distribution is different from
               that of the normal distribution
@@ -813,14 +809,9 @@ class Tally(IDManagerMixin):
 
         Notes
         -----
-        This test is based on D'Agostino and Pearson's test [1]_. The test
-        is typically recommended for at least 20 realizations to produce
-        valid results.
-
-        References
-        ----------
-        .. [1] D'Agostino, R. B. (1971), "An omnibus test of normality for
-               moderate and large sample size", Biometrika, 58, 341-348
+        This test is based on `D'Agostino and Pearson's test
+        <https://doi.org/10.1093/biomet/60.3.613>`_. The test is typically
+        recommended for at least 20 realizations to produce valid results.
 
         """
         n = self.num_realizations
@@ -855,9 +846,9 @@ class Tally(IDManagerMixin):
     def normaltest(self, alternative: str = "two-sided"):
         """Perform D'Agostino and Pearson's omnibus test for normality.
 
-        This method tests the null hypothesis that a sample comes from a
-        normal distribution. It combines skewness and kurtosis to produce an
-        omnibus test of normality.
+        This method tests the null hypothesis that a sample comes from a normal
+        distribution. It combines skewness and kurtosis to produce an omnibus
+        test of normality.
 
         Parameters
         ----------
@@ -886,23 +877,19 @@ class Tally(IDManagerMixin):
         Notes
         -----
         This test combines a test for skewness and a test for kurtosis to
-        produce an omnibus test [1]_. The test statistic is:
+        produce an `omnibus test <https://doi.org/10.1093/biomet/60.3.613>`_.
+        The test statistic is:
 
         .. math::
 
             K^2 = Z_1^2 + Z_2^2
 
-        where :math:`Z_1` is the z-score from the skewness test and
-        :math:`Z_2` is the z-score from the kurtosis test. This statistic
-        follows a chi-square distribution with 2 degrees of freedom.
+        where :math:`Z_1` is the z-score from the skewness test and :math:`Z_2`
+        is the z-score from the kurtosis test. This statistic follows a
+        chi-square distribution with 2 degrees of freedom.
 
         The test requires at least 20 realizations to produce valid results.
 
-        References
-        ----------
-        .. [1] D'Agostino, R. B. and Pearson, E. S. (1973), "Tests for
-               departure from normality", Biometrika, 60, 613-622
-
         """
         n = self.num_realizations
         if n < 20:
diff --git a/tests/regression_tests/mgxs_library_ce_to_mg/test.py b/tests/regression_tests/mgxs_library_ce_to_mg/test.py
index 48a715997..075167f58 100644
--- a/tests/regression_tests/mgxs_library_ce_to_mg/test.py
+++ b/tests/regression_tests/mgxs_library_ce_to_mg/test.py
@@ -28,7 +28,7 @@ class MGXSTestHarness(PyAPITestHarness):
         self.mgxs_lib.build_library()
 
         # Initialize a tallies file
-        self.mgxs_lib.add_to_tallies_file(self._model.tallies, merge=False)
+        self.mgxs_lib.add_to_tallies(self._model.tallies, merge=False)
 
     def _run_openmc(self):
         # Initial run
diff --git a/tests/regression_tests/mgxs_library_ce_to_mg_nuclides/test.py b/tests/regression_tests/mgxs_library_ce_to_mg_nuclides/test.py
index a77ad2429..489105f8f 100644
--- a/tests/regression_tests/mgxs_library_ce_to_mg_nuclides/test.py
+++ b/tests/regression_tests/mgxs_library_ce_to_mg_nuclides/test.py
@@ -28,7 +28,7 @@ class MGXSTestHarness(PyAPITestHarness):
         self.mgxs_lib.build_library()
 
         # Initialize a tallies file
-        self.mgxs_lib.add_to_tallies_file(self._model.tallies, merge=False)
+        self.mgxs_lib.add_to_tallies(self._model.tallies, merge=False)
 
     def _run_openmc(self):
         # Initial run
diff --git a/tests/regression_tests/mgxs_library_condense/test.py b/tests/regression_tests/mgxs_library_condense/test.py
index a7e60617f..bbc4c11bf 100644
--- a/tests/regression_tests/mgxs_library_condense/test.py
+++ b/tests/regression_tests/mgxs_library_condense/test.py
@@ -36,7 +36,7 @@ class MGXSTestHarness(PyAPITestHarness):
         self.mgxs_lib.build_library()
 
         # Add tallies
-        self.mgxs_lib.add_to_tallies_file(self._model.tallies, merge=False)
+        self.mgxs_lib.add_to_tallies(self._model.tallies, merge=False)
 
     def _get_results(self, hash_output=False):
         """Digest info in the statepoint and return as a string."""
diff --git a/tests/regression_tests/mgxs_library_correction/test.py b/tests/regression_tests/mgxs_library_correction/test.py
index 05eedfef8..64e638e44 100644
--- a/tests/regression_tests/mgxs_library_correction/test.py
+++ b/tests/regression_tests/mgxs_library_correction/test.py
@@ -29,7 +29,7 @@ class MGXSTestHarness(PyAPITestHarness):
         self.mgxs_lib.build_library()
 
         # Add tallies
-        self.mgxs_lib.add_to_tallies_file(self._model.tallies, merge=False)
+        self.mgxs_lib.add_to_tallies(self._model.tallies, merge=False)
 
     def _get_results(self, hash_output=False):
         """Digest info in the statepoint and return as a string."""
diff --git a/tests/regression_tests/mgxs_library_distribcell/test.py b/tests/regression_tests/mgxs_library_distribcell/test.py
index fd6c8e938..464b309c0 100644
--- a/tests/regression_tests/mgxs_library_distribcell/test.py
+++ b/tests/regression_tests/mgxs_library_distribcell/test.py
@@ -36,7 +36,7 @@ class MGXSTestHarness(PyAPITestHarness):
         self.mgxs_lib.build_library()
 
         # Add tallies
-        self.mgxs_lib.add_to_tallies_file(self._model.tallies, merge=False)
+        self.mgxs_lib.add_to_tallies(self._model.tallies, merge=False)
         self._model.tallies.export_to_xml()
 
     def _get_results(self, hash_output=False):
diff --git a/tests/regression_tests/mgxs_library_hdf5/test.py b/tests/regression_tests/mgxs_library_hdf5/test.py
index 06625c25f..4fb4bf093 100644
--- a/tests/regression_tests/mgxs_library_hdf5/test.py
+++ b/tests/regression_tests/mgxs_library_hdf5/test.py
@@ -40,7 +40,7 @@ class MGXSTestHarness(PyAPITestHarness):
         self.mgxs_lib.build_library()
 
         # Add tallies
-        self.mgxs_lib.add_to_tallies_file(self._model.tallies, merge=False)
+        self.mgxs_lib.add_to_tallies(self._model.tallies, merge=False)
 
     def _get_results(self, hash_output=False):
         """Digest info in the statepoint and return as a string."""
diff --git a/tests/regression_tests/mgxs_library_histogram/test.py b/tests/regression_tests/mgxs_library_histogram/test.py
index b9905910a..42fc1957a 100644
--- a/tests/regression_tests/mgxs_library_histogram/test.py
+++ b/tests/regression_tests/mgxs_library_histogram/test.py
@@ -30,7 +30,7 @@ class MGXSTestHarness(PyAPITestHarness):
         self.mgxs_lib.build_library()
 
         # Add tallies
-        self.mgxs_lib.add_to_tallies_file(self._model.tallies, merge=False)
+        self.mgxs_lib.add_to_tallies(self._model.tallies, merge=False)
 
     def _get_results(self, hash_output=False):
         """Digest info in the statepoint and return as a string."""
diff --git a/tests/regression_tests/mgxs_library_mesh/test.py b/tests/regression_tests/mgxs_library_mesh/test.py
index 89c68a75a..c1a5980b5 100644
--- a/tests/regression_tests/mgxs_library_mesh/test.py
+++ b/tests/regression_tests/mgxs_library_mesh/test.py
@@ -57,7 +57,7 @@ def model():
     model.mgxs_lib.build_library()
 
     # Add tallies
-    model.mgxs_lib.add_to_tallies_file(model.tallies, merge=False)
+    model.mgxs_lib.add_to_tallies(model.tallies, merge=False)
 
     return model
 
diff --git a/tests/regression_tests/mgxs_library_no_nuclides/test.py b/tests/regression_tests/mgxs_library_no_nuclides/test.py
index af14a5dc8..a02086af3 100644
--- a/tests/regression_tests/mgxs_library_no_nuclides/test.py
+++ b/tests/regression_tests/mgxs_library_no_nuclides/test.py
@@ -39,7 +39,7 @@ class MGXSTestHarness(PyAPITestHarness):
         self.mgxs_lib.build_library()
 
         # Add tallies
-        self.mgxs_lib.add_to_tallies_file(self._model.tallies, merge=False)
+        self.mgxs_lib.add_to_tallies(self._model.tallies, merge=False)
 
     def _get_results(self, hash_output=False):
         """Digest info in the statepoint and return as a string."""
diff --git a/tests/regression_tests/mgxs_library_nuclides/test.py b/tests/regression_tests/mgxs_library_nuclides/test.py
index 8a7673565..a10070358 100644
--- a/tests/regression_tests/mgxs_library_nuclides/test.py
+++ b/tests/regression_tests/mgxs_library_nuclides/test.py
@@ -36,7 +36,7 @@ class MGXSTestHarness(PyAPITestHarness):
         self.mgxs_lib.build_library()
 
         # Add tallies
-        self.mgxs_lib.add_to_tallies_file(self._model.tallies, merge=False)
+        self.mgxs_lib.add_to_tallies(self._model.tallies, merge=False)
 
     def _get_results(self, hash_output=True):
         """Digest info in the statepoint and return as a string."""
diff --git a/tests/regression_tests/mgxs_library_specific_nuclides/test.py b/tests/regression_tests/mgxs_library_specific_nuclides/test.py
index 61910e539..0ccbb83bd 100644
--- a/tests/regression_tests/mgxs_library_specific_nuclides/test.py
+++ b/tests/regression_tests/mgxs_library_specific_nuclides/test.py
@@ -37,7 +37,7 @@ class MGXSTestHarness(PyAPITestHarness):
         self.mgxs_lib.build_library()
 
         # Add tallies
-        self.mgxs_lib.add_to_tallies_file(self._model.tallies, merge=True)
+        self.mgxs_lib.add_to_tallies(self._model.tallies, merge=True)
 
     def _get_results(self, hash_output=True):
         """Digest info in the statepoint and return as a string."""

From 028f4404485407b01a31c44f30249852601a29c8 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 19 Nov 2025 11:19:27 -0600
Subject: [PATCH 2437/2654] Support MPI parallelism in R2SManager (#3632)

---
 openmc/deplete/microxs.py | 31 +++++++++++++------------
 openmc/deplete/r2s.py     | 48 ++++++++++++++++++++++++---------------
 openmc/lib/core.py        | 45 ++++++++++++++++++++++++++++--------
 3 files changed, 82 insertions(+), 42 deletions(-)

diff --git a/openmc/deplete/microxs.py b/openmc/deplete/microxs.py
index d7624955e..f4bdc6795 100644
--- a/openmc/deplete/microxs.py
+++ b/openmc/deplete/microxs.py
@@ -170,13 +170,14 @@ def get_microxs_and_flux(
         # Reinitialize with tallies
         openmc.lib.init(intracomm=comm)
 
-    # create temporary run
     with TemporaryDirectory() as temp_dir:
-        if run_kwargs is None:
-            run_kwargs = {}
-        else:
-            run_kwargs = dict(run_kwargs)
-        run_kwargs.setdefault('cwd', temp_dir)
+        # Indicate to run in temporary directory unless being executed through
+        # openmc.lib, in which case we don't need to specify the cwd
+        run_kwargs = dict(run_kwargs) if run_kwargs else {}
+        if not openmc.lib.is_initialized:
+            run_kwargs.setdefault('cwd', temp_dir)
+
+        # Run transport simulation
         statepoint_path = model.run(**run_kwargs)
 
         if comm.rank == 0:
@@ -189,15 +190,18 @@ def get_microxs_and_flux(
             if path_input is not None:
                 model.export_to_model_xml(path_input)
 
-            with StatePoint(statepoint_path) as sp:
-                if reaction_rate_mode == 'direct':
-                    rr_tally = sp.tallies[rr_tally.id]
-                    rr_tally._read_results()
-                flux_tally = sp.tallies[flux_tally.id]
-                flux_tally._read_results()
+        # Broadcast updated statepoint path to all ranks
+        statepoint_path = comm.bcast(statepoint_path)
+
+        # Read in tally results (on all ranks)
+        with StatePoint(statepoint_path) as sp:
+            if reaction_rate_mode == 'direct':
+                rr_tally = sp.tallies[rr_tally.id]
+                rr_tally._read_results()
+            flux_tally = sp.tallies[flux_tally.id]
+            flux_tally._read_results()
 
     # Get flux values and make energy groups last dimension
-    flux_tally = comm.bcast(flux_tally)
     flux = flux_tally.get_reshaped_data()  # (domains, groups, 1, 1)
     flux = np.moveaxis(flux, 1, -1)  # (domains, 1, 1, groups)
 
@@ -206,7 +210,6 @@ def get_microxs_and_flux(
 
     if reaction_rate_mode == 'direct':
         # Get reaction rates
-        rr_tally = comm.bcast(rr_tally)
         reaction_rates = rr_tally.get_reshaped_data()  # (domains, groups, nuclides, reactions)
 
         # Make energy groups last dimension
diff --git a/openmc/deplete/r2s.py b/openmc/deplete/r2s.py
index 7b5deddc2..7f3e94edd 100644
--- a/openmc/deplete/r2s.py
+++ b/openmc/deplete/r2s.py
@@ -11,6 +11,9 @@ from . import IndependentOperator, PredictorIntegrator
 from .microxs import get_microxs_and_flux, write_microxs_hdf5, read_microxs_hdf5
 from .results import Results
 from ..checkvalue import PathLike
+from ..mpi import comm
+from openmc.lib import TemporarySession
+from openmc.utility_funcs import change_directory
 
 
 def get_activation_materials(
@@ -199,8 +202,10 @@ class R2SManager:
         """
 
         if output_dir is None:
+            # Create timestamped output directory and broadcast to all ranks for
+            # consistency (different ranks may have slightly different times)
             stamp = datetime.now().strftime('%Y-%m-%dT%H-%M-%S')
-            output_dir = Path(f'r2s_{stamp}')
+            output_dir = Path(comm.bcast(f'r2s_{stamp}'))
 
         # Set run_kwargs for the neutron transport step
         if micro_kwargs is None:
@@ -257,18 +262,19 @@ class R2SManager:
 
         """
 
-        output_dir = Path(output_dir)
+        output_dir = Path(output_dir).resolve()
         output_dir.mkdir(parents=True, exist_ok=True)
 
         if self.method == 'mesh-based':
             # Compute material volume fractions on the mesh
             if mat_vol_kwargs is None:
                 mat_vol_kwargs = {}
-            self.results['mesh_material_volumes'] = mmv = \
-                self.domains.material_volumes(self.neutron_model, **mat_vol_kwargs)
+            self.results['mesh_material_volumes'] = mmv = comm.bcast(
+                self.domains.material_volumes(self.neutron_model, **mat_vol_kwargs))
 
             # Save results to file
-            mmv.save(output_dir / 'mesh_material_volumes.npz')
+            if comm.rank == 0:
+                mmv.save(output_dir / 'mesh_material_volumes.npz')
 
             # Create mesh-material filter based on what combos were found
             domains = openmc.MeshMaterialFilter.from_volumes(self.domains, mmv)
@@ -299,13 +305,16 @@ class R2SManager:
         micro_kwargs.setdefault('path_statepoint', output_dir / 'statepoint.h5')
         micro_kwargs.setdefault('path_input', output_dir / 'model.xml')
 
-        # Run neutron transport and get fluxes and micros
-        self.results['fluxes'], self.results['micros'] = get_microxs_and_flux(
-            self.neutron_model, domains, **micro_kwargs)
+        # Run neutron transport and get fluxes and micros. Run via openmc.lib to
+        # maintain a consistent parallelism strategy with the activation step.
+        with TemporarySession():
+            self.results['fluxes'], self.results['micros'] = get_microxs_and_flux(
+                self.neutron_model, domains, **micro_kwargs)
 
         # Save flux and micros to file
-        np.save(output_dir / 'fluxes.npy', self.results['fluxes'])
-        write_microxs_hdf5(self.results['micros'], output_dir / 'micros.h5')
+        if comm.rank == 0:
+            np.save(output_dir / 'fluxes.npy', self.results['fluxes'])
+            write_microxs_hdf5(self.results['micros'], output_dir / 'micros.h5')
 
     def step2_activation(
         self,
@@ -457,15 +466,17 @@ class R2SManager:
         # photon model if it is different from the neutron model to account for
         # potential material changes
         if self.method == 'mesh-based' and different_photon_model:
-            self.results['mesh_material_volumes_photon'] = photon_mmv = \
-                self.domains.material_volumes(self.photon_model, **mat_vol_kwargs)
+            self.results['mesh_material_volumes_photon'] = photon_mmv = comm.bcast(
+                self.domains.material_volumes(self.photon_model, **mat_vol_kwargs))
 
             # Save photon MMV results to file
-            photon_mmv.save(output_dir / 'mesh_material_volumes.npz')
+            if comm.rank == 0:
+                photon_mmv.save(output_dir / 'mesh_material_volumes.npz')
 
-        tally_ids = [tally.id for tally in self.photon_model.tallies]
-        with open(output_dir / 'tally_ids.json', 'w') as f:
-            json.dump(tally_ids, f)
+        if comm.rank == 0:
+            tally_ids = [tally.id for tally in self.photon_model.tallies]
+            with open(output_dir / 'tally_ids.json', 'w') as f:
+                json.dump(tally_ids, f)
 
         self.results['photon_tallies'] = {}
 
@@ -514,8 +525,9 @@ class R2SManager:
                 time_index = len(self.results['depletion_results']) + time_index
 
             # Run photon transport calculation
-            run_kwargs['cwd'] = Path(output_dir) / f'time_{time_index}'
-            statepoint_path = self.photon_model.run(**run_kwargs)
+            photon_dir = Path(output_dir) / f'time_{time_index}'
+            with TemporarySession(self.photon_model, cwd=photon_dir):
+                statepoint_path = self.photon_model.run(**run_kwargs)
 
             # Store tally results
             with openmc.StatePoint(statepoint_path) as sp:
diff --git a/openmc/lib/core.py b/openmc/lib/core.py
index 9f8db69d5..cfccecef2 100644
--- a/openmc/lib/core.py
+++ b/openmc/lib/core.py
@@ -13,6 +13,7 @@ from numpy.ctypeslib import as_array
 
 from . import _dll
 from .error import _error_handler
+from ..mpi import comm
 from openmc.checkvalue import PathLike
 import openmc.lib
 import openmc
@@ -632,6 +633,9 @@ class TemporarySession:
     model : openmc.Model, optional
         OpenMC model to use for the session. If None, a minimal working model is
         created.
+    cwd : PathLike, optional
+        Working directory in which to run OpenMC. If None, a temporary directory
+        is created and deleted automatically.
     **init_kwargs
         Keyword arguments to pass to :func:`openmc.lib.init`.
 
@@ -639,10 +643,13 @@ class TemporarySession:
     ----------
     model : openmc.Model
         The OpenMC model used for the session.
+    comm : mpi4py.MPI.Intracomm
+        The MPI intracommunicator used for the session.
 
     """
-    def __init__(self, model=None, **init_kwargs):
-        self.init_kwargs = init_kwargs
+    def __init__(self, model=None, cwd=None, **init_kwargs):
+        self.init_kwargs = dict(init_kwargs)
+        self.cwd = cwd
         if model is None:
             surf = openmc.Sphere(boundary_type="vacuum")
             cell = openmc.Cell(region=-surf)
@@ -652,6 +659,10 @@ class TemporarySession:
                 particles=1, batches=1, output={'summary': False})
         self.model = model
 
+        # Determine MPI intercommunicator
+        self.init_kwargs.setdefault('intracomm', comm)
+        self.comm = self.init_kwargs['intracomm']
+
     def __enter__(self):
         """Initialize the OpenMC library in a temporary directory."""
         # If already initialized, the context manager is a no-op
@@ -662,14 +673,24 @@ class TemporarySession:
         # Store original working directory
         self.orig_dir = Path.cwd()
 
-        # Set up temporary directory
-        self.tmp_dir = TemporaryDirectory()
-        working_dir = Path(self.tmp_dir.name)
-        working_dir.mkdir(parents=True, exist_ok=True)
-        os.chdir(working_dir)
+        if self.cwd is None:
+            # Set up temporary directory on rank 0
+            if self.comm.rank == 0:
+                self._tmp_dir = TemporaryDirectory()
+                self.cwd = self._tmp_dir.name
 
-        # Export model and initialize OpenMC
-        self.model.export_to_model_xml()
+            # Broadcast the path so that all ranks use the same directory
+            self.cwd = self.comm.bcast(self.cwd)
+
+        # Create and change to specified directory
+        self.cwd = Path(self.cwd)
+        self.cwd.mkdir(parents=True, exist_ok=True)
+        os.chdir(self.cwd)
+
+        # Export model on first rank and initialize OpenMC
+        if self.comm.rank == 0:
+            self.model.export_to_model_xml()
+        self.comm.barrier()
         openmc.lib.init(**self.init_kwargs)
 
         return self
@@ -683,7 +704,11 @@ class TemporarySession:
             finalize()
         finally:
             os.chdir(self.orig_dir)
-            self.tmp_dir.cleanup()
+
+            # Make sure all ranks have finalized before deleting temporary dir
+            self.comm.barrier()
+            if hasattr(self, '_tmp_dir'):
+                self._tmp_dir.cleanup()
 
 
 class _DLLGlobal:

From f544d02e499248281050ef2272d042c4a7933858 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 19 Nov 2025 11:26:57 -0600
Subject: [PATCH 2438/2654] Don't write reaction rates in depletion results by
 default, remove per-stage data for multistage integrators (#3609)

---
 docs/source/io_formats/depletion_results.rst |  26 +--
 openmc/deplete/abc.py                        | 153 ++++++++-----
 openmc/deplete/integrators.py                |  85 +++----
 openmc/deplete/results.py                    |   8 +-
 openmc/deplete/stepresult.py                 | 222 +++++++++++--------
 tests/unit_tests/test_deplete_continue.py    |   8 +-
 tests/unit_tests/test_deplete_integrator.py  |  93 +++++---
 tests/unit_tests/test_deplete_restart.py     |  14 +-
 8 files changed, 336 insertions(+), 273 deletions(-)

diff --git a/docs/source/io_formats/depletion_results.rst b/docs/source/io_formats/depletion_results.rst
index 7035fc9c9..b2a726dad 100644
--- a/docs/source/io_formats/depletion_results.rst
+++ b/docs/source/io_formats/depletion_results.rst
@@ -4,7 +4,7 @@
 Depletion Results File Format
 =============================
 
-The current version of the depletion results file format is 1.1.
+The current version of the depletion results file format is 1.2.
 
 **/**
 
@@ -12,22 +12,20 @@ The current version of the depletion results file format is 1.1.
              - **version** (*int[2]*) -- Major and minor version of the
                statepoint file format.
 
-:Datasets: - **eigenvalues** (*double[][][2]*) -- k-eigenvalues at each
-             time/stage. This array has shape (number of timesteps, number of
-             stages, value). The last axis contains the eigenvalue and the
-             associated uncertainty
-           - **number** (*double[][][][]*) -- Total number of atoms. This array
-             has shape (number of timesteps, number of stages, number of
+:Datasets: - **eigenvalues** (*double[][2]*) -- k-eigenvalues at each timestep.
+             This array has shape (number of timesteps, 2). The second axis
+             contains the eigenvalue and its associated uncertainty.
+           - **number** (*double[][][]*) -- Total number of atoms at each
+             timestep. This array has shape (number of timesteps, number of
              materials, number of nuclides).
-           - **reaction rates** (*double[][][][][]*) -- Reaction rates used to
-             build depletion matrices. This array has shape (number of
-             timesteps, number of stages, number of materials, number of
-             nuclides, number of reactions).
+           - **reaction rates** (*double[][][][]*) -- Reaction rates at each
+             timestep. This array has shape (number of timesteps, number of
+             materials, number of nuclides, number of reactions). Only stored if
+             write_rates=True.
            - **time** (*double[][2]*) -- Time in [s] at beginning/end of each
              step.
-           - **source_rate** (*double[][]*) -- Power in [W] or source rate in
-             [neutron/sec]. This array has shape (number of timesteps, number
-             of stages).
+           - **source_rate** (*double[]*) -- Power in [W] or source rate in
+             [neutron/sec] for each timestep.
            - **depletion time** (*double[]*) -- Average process time in [s]
              spent depleting a material across all burnable materials and,
              if applicable, MPI processes.
diff --git a/openmc/deplete/abc.py b/openmc/deplete/abc.py
index fb18d86af..32f468306 100644
--- a/openmc/deplete/abc.py
+++ b/openmc/deplete/abc.py
@@ -631,17 +631,7 @@ class Integrator(ABC):
             solver: str = "cram48",
             continue_timesteps: bool = False,
         ):
-        # Check number of stages previously used
-        if operator.prev_res is not None:
-            res = operator.prev_res[-1]
-            if res.data.shape[0] != self._num_stages:
-                raise ValueError(
-                    "{} incompatible with previous restart calculation. "
-                    "Previous scheme used {} intermediate solutions, while "
-                    "this uses {}".format(
-                        self.__class__.__name__, res.data.shape[0],
-                        self._num_stages))
-        elif continue_timesteps:
+        if continue_timesteps and operator.prev_res is None:
             raise ValueError("Continuation run requires passing prev_results.")
         self.operator = operator
         self.chain = operator.chain
@@ -775,12 +765,8 @@ class Integrator(ABC):
         -------
         proc_time : float
             Time spent in CRAM routines for all materials in [s]
-        n_list : list of list of numpy.ndarray
-            Concentrations at each of the intermediate points with
-            the final concentration as the last element
-        op_results : list of openmc.deplete.OperatorResult
-            Eigenvalue and reaction rates from intermediate transport
-            simulations
+        n_end : list of numpy.ndarray
+            Concentrations at end of timestep
         """
 
     @property
@@ -811,9 +797,9 @@ class Integrator(ABC):
         """Get beginning of step concentrations, reaction rates from restart"""
         res = self.operator.prev_res[-1]
         # Depletion methods expect list of arrays
-        bos_conc = list(res.data[0])
-        rates = res.rates[0]
-        k = ufloat(res.k[0, 0], res.k[0, 1])
+        bos_conc = list(res.data)
+        rates = res.rates
+        k = ufloat(res.k[0], res.k[1])
 
         if res.source_rate != 0.0:
             # Scale reaction rates by ratio of source rates
@@ -855,7 +841,8 @@ class Integrator(ABC):
             self,
             final_step: bool = True,
             output: bool = True,
-            path: PathLike = 'depletion_results.h5'
+            path: PathLike = 'depletion_results.h5',
+            write_rates: bool = False
         ):
         """Perform the entire depletion process across all steps
 
@@ -874,6 +861,11 @@ class Integrator(ABC):
             Path to file to write. Defaults to 'depletion_results.h5'.
 
             .. versionadded:: 0.15.0
+        write_rates : bool, optional
+            Whether reaction rates should be written to the results file for
+            each step. Defaults to ``False`` to reduce file size.
+
+            .. versionadded:: 0.15.3
         """
         with change_directory(self.operator.output_dir):
             n = self.operator.initial_condition()
@@ -890,18 +882,22 @@ class Integrator(ABC):
                     n, res = self._get_bos_data_from_restart(source_rate, n)
 
                 # Solve Bateman equations over time interval
-                proc_time, n_list, res_list = self(n, res.rates, dt, source_rate, i)
+                proc_time, n_end = self(n, res.rates, dt, source_rate, i)
 
-                # Insert BOS concentration, transport results
-                n_list.insert(0, n)
-                res_list.insert(0, res)
-
-                # Remove actual EOS concentration for next step
-                n = n_list.pop()
-
-                StepResult.save(self.operator, n_list, res_list, [t, t + dt],
-                                source_rate, self._i_res + i, proc_time, path)
+                StepResult.save(
+                    self.operator,
+                    n,
+                    res,
+                    [t, t + dt],
+                    source_rate,
+                    self._i_res + i,
+                    proc_time,
+                    write_rates=write_rates,
+                    path=path
+                )
 
+                # Update for next step
+                n = n_end
                 t += dt
 
             # Final simulation -- in the case that final_step is False, a zero
@@ -910,9 +906,18 @@ class Integrator(ABC):
             # solve)
             if output and final_step and comm.rank == 0:
                 print(f"[openmc.deplete] t={t} (final operator evaluation)")
-            res_list = [self.operator(n, source_rate if final_step else 0.0)]
-            StepResult.save(self.operator, [n], res_list, [t, t],
-                         source_rate, self._i_res + len(self), proc_time, path)
+            res_final = self.operator(n, source_rate if final_step else 0.0)
+            StepResult.save(
+                self.operator,
+                n,
+                res_final,
+                [t, t],
+                source_rate,
+                self._i_res + len(self),
+                proc_time,
+                write_rates=write_rates,
+                path=path
+            )
             self.operator.write_bos_data(len(self) + self._i_res)
 
         self.operator.finalize()
@@ -1171,10 +1176,40 @@ class SIIntegrator(Integrator):
             self.operator.settings.particles //= self.n_steps
         return inherited
 
+    @abstractmethod
+    def __call__(self, n, rates, dt, source_rate, i):
+        """Perform the integration across one time step
+
+        Parameters
+        ----------
+        n : list of numpy.ndarray
+            List of atom number arrays for each material. Each array has
+            shape ``(n_nucs,)`` where ``n_nucs`` is the number of nuclides
+        rates : openmc.deplete.ReactionRates
+            Reaction rates (from transport operator)
+        dt : float
+            Time step in [s]
+        source_rate : float
+            Power in [W] or source rate in [neutron/sec]
+        i : int
+            Current time step index
+
+        Returns
+        -------
+        proc_time : float
+            Time spent in transport simulation
+        n_end : list of numpy.ndarray
+            Updated atom number densities for each material
+        op_result : OperatorResult
+            Eigenvalue and reaction rates resulting from transport simulation
+
+        """
+
     def integrate(
         self,
         output: bool = True,
-        path: PathLike = "depletion_results.h5"
+        path: PathLike = "depletion_results.h5",
+        write_rates: bool = False
     ):
         """Perform the entire depletion process across all steps
 
@@ -1186,11 +1221,17 @@ class SIIntegrator(Integrator):
             Path to file to write. Defaults to 'depletion_results.h5'.
 
             .. versionadded:: 0.15.0
+        write_rates : bool, optional
+            Whether reaction rates should be written to the results file for
+            each step. Defaults to ``False`` to reduce file size.
+
+            .. versionadded:: 0.15.3
         """
         with change_directory(self.operator.output_dir):
             n = self.operator.initial_condition()
             t, self._i_res = self._get_start_data()
 
+            res_end = None  # Will be set in first iteration
             for i, (dt, p) in enumerate(self):
                 if output:
                     print(f"[openmc.deplete] t={t} s, dt={dt} s, source={p}")
@@ -1200,28 +1241,38 @@ class SIIntegrator(Integrator):
                         n, res = self._get_bos_data_from_operator(i, p, n)
                     else:
                         n, res = self._get_bos_data_from_restart(p, n)
-                else:
-                    # Pull rates, k from previous iteration w/o
-                    # re-running transport
-                    res = res_list[-1]  # defined in previous i iteration
 
-                proc_time, n_list, res_list = self(n, res.rates, dt, p, i)
+                proc_time, n_end, res_end = self(n, res.rates, dt, p, i)
 
-                # Insert BOS concentration, transport results
-                n_list.insert(0, n)
-                res_list.insert(0, res)
-
-                # Remove actual EOS concentration for next step
-                n = n_list.pop()
-
-                StepResult.save(self.operator, n_list, res_list, [t, t + dt],
-                             p, self._i_res + i, proc_time, path)
+                StepResult.save(
+                    self.operator,
+                    n,
+                    res,
+                    [t, t + dt],
+                    p,
+                    self._i_res + i,
+                    proc_time,
+                    write_rates=write_rates,
+                    path=path
+                )
 
+                # Update for next step
+                n = n_end
+                res = res_end
                 t += dt
 
             # No final simulation for SIE, use last iteration results
-            StepResult.save(self.operator, [n], [res_list[-1]], [t, t],
-                         p, self._i_res + len(self), proc_time, path)
+            StepResult.save(
+                self.operator,
+                n,
+                res_end,
+                [t, t],
+                p,
+                self._i_res + len(self),
+                proc_time,
+                write_rates=write_rates,
+                path=path
+            )
             self.operator.write_bos_data(self._i_res + len(self))
 
         self.operator.finalize()
diff --git a/openmc/deplete/integrators.py b/openmc/deplete/integrators.py
index 7c543a6cb..25e64cb2e 100644
--- a/openmc/deplete/integrators.py
+++ b/openmc/deplete/integrators.py
@@ -46,15 +46,12 @@ class PredictorIntegrator(Integrator):
         -------
         proc_time : float
             Time spent in CRAM routines for all materials in [s]
-        n_list : list of list of numpy.ndarray
+        n_end : list of numpy.ndarray
             Concentrations at end of interval
-        op_results : empty list
-            Kept for consistency with API. No intermediate calls to operator
-            with predictor
 
         """
         proc_time, n_end = self._timed_deplete(n, rates, dt, _i)
-        return proc_time, [n_end], []
+        return proc_time, n_end
 
 
 @add_params
@@ -98,11 +95,8 @@ class CECMIntegrator(Integrator):
         -------
         proc_time : float
             Time spent in CRAM routines for all materials in [s]
-        n_list : list of list of numpy.ndarray
-            Concentrations at each of the intermediate points with
-            the final concentration as the last element
-        op_results : list of openmc.deplete.OperatorResult
-            Eigenvalue and reaction rates from transport simulations
+        n_end : list of numpy.ndarray
+            Concentrations at end of interval
         """
         # deplete across first half of interval
         time0, n_middle = self._timed_deplete(n, rates, dt / 2, _i)
@@ -112,7 +106,7 @@ class CECMIntegrator(Integrator):
         # MOS reaction rates
         time1, n_end = self._timed_deplete(n, res_middle.rates, dt, _i)
 
-        return time0 + time1, [n_middle, n_end], [res_middle]
+        return time0 + time1, n_end
 
 
 @add_params
@@ -162,12 +156,8 @@ class CF4Integrator(Integrator):
         -------
         proc_time : float
             Time spent in CRAM routines for all materials in [s]
-        n_list : list of numpy.ndarray
-            Concentrations at each of the intermediate points with
-            the final concentration as the last element
-        op_results : list of openmc.deplete.OperatorResult
-            Eigenvalue and reaction rates from intermediate transport
-            simulations
+        n_end : list of numpy.ndarray
+            Concentrations at end of interval
         """
         # Step 1: deplete with matrix 1/2*A(y0)
         time1, n_eos1 = self._timed_deplete(
@@ -192,9 +182,7 @@ class CF4Integrator(Integrator):
         time5, n_eos5 = self._timed_deplete(
             n_inter, list_rates, dt, _i, matrix_func=cf4_f4)
 
-        return (time1 + time2 + time3 + time4 + time5,
-                [n_eos1, n_eos2, n_eos3, n_eos5],
-                [res1, res2, res3])
+        return time1 + time2 + time3 + time4 + time5, n_eos5
 
 
 @add_params
@@ -240,12 +228,8 @@ class CELIIntegrator(Integrator):
         -------
         proc_time : float
             Time spent in CRAM routines for all materials in [s]
-        n_list : list of list of numpy.ndarray
-            Concentrations at each of the intermediate points with
-            the final concentration as the last element
-        op_results : list of openmc.deplete.OperatorResult
-            Eigenvalue and reaction rates from intermediate transport
-            simulation
+        n_end : list of numpy.ndarray
+            Concentrations at end of interval
         """
         # deplete to end using BOS rates
         proc_time, n_ce = self._timed_deplete(n_bos, rates, dt, _i)
@@ -260,7 +244,7 @@ class CELIIntegrator(Integrator):
         time_le2, n_end = self._timed_deplete(
             n_inter, list_rates, dt, _i, matrix_func=celi_f2)
 
-        return proc_time + time_le1 + time_le1, [n_ce, n_end], [res_ce]
+        return proc_time + time_le1 + time_le2, n_end
 
 
 @add_params
@@ -306,12 +290,8 @@ class EPCRK4Integrator(Integrator):
         -------
         proc_time : float
             Time spent in CRAM routines for all materials in [s]
-        n_list : list of list of numpy.ndarray
-            Concentrations at each of the intermediate points with
-            the final concentration as the last element
-        op_results : list of openmc.deplete.OperatorResult
-            Eigenvalue and reaction rates from intermediate transport
-            simulations
+        n_end : list of numpy.ndarray
+            Concentrations at end of interval
         """
 
         # Step 1: deplete with matrix A(y0) / 2
@@ -330,7 +310,7 @@ class EPCRK4Integrator(Integrator):
         list_rates = list(zip(rates, res1.rates, res2.rates, res3.rates))
         time4, n4 = self._timed_deplete(n, list_rates, dt, _i, matrix_func=rk4_f4)
 
-        return (time1 + time2 + time3 + time4, [n1, n2, n3, n4], [res1, res2, res3])
+        return time1 + time2 + time3 + time4, n4
 
 
 @add_params
@@ -388,12 +368,8 @@ class LEQIIntegrator(Integrator):
         -------
         proc_time : float
             Time spent in CRAM routines for all materials in [s]
-        n_list : list of list of numpy.ndarray
-            Concentrations at each of the intermediate points with
-            the final concentration as the last element
-        op_results : list of openmc.deplete.OperatorResult
-            Eigenvalue and reaction rates from intermediate transport
-            simulation
+        n_end : list of numpy.ndarray
+            Concentrations at end of interval
         """
         if i == 0:
             if self._i_res < 1:  # need at least previous transport solution
@@ -402,7 +378,7 @@ class LEQIIntegrator(Integrator):
                     self, n_bos, bos_rates, dt, source_rate, i)
             prev_res = self.operator.prev_res[-2]
             prev_dt = self.timesteps[i] - prev_res.time[0]
-            self._prev_rates = prev_res.rates[0]
+            self._prev_rates = prev_res.rates
         else:
             prev_dt = self.timesteps[i - 1]
 
@@ -431,9 +407,7 @@ class LEQIIntegrator(Integrator):
         # store updated rates
         self._prev_rates = copy.deepcopy(bos_res.rates)
 
-        return (
-            time1 + time2 + time3 + time4, [n_eos0, n_eos1],
-            [bos_res, res_inter])
+        return time1 + time2 + time3 + time4, n_eos1
 
 
 @add_params
@@ -470,10 +444,9 @@ class SICELIIntegrator(SIIntegrator):
         -------
         proc_time : float
             Time spent in CRAM routines for all materials in [s]
-        n_bos_list : list of list of numpy.ndarray
-            Concentrations at each of the intermediate points with
-            the final concentration as the last element
-        op_results : list of openmc.deplete.OperatorResult
+        n_end : list of numpy.ndarray
+            Concentrations at end of interval
+        op_result : openmc.deplete.OperatorResult
             Eigenvalue and reaction rates from intermediate transport
             simulations
         """
@@ -499,7 +472,7 @@ class SICELIIntegrator(SIIntegrator):
             proc_time += time1 + time2
 
         # end iteration
-        return proc_time, [n_eos, n_inter], [res_bar]
+        return proc_time, n_inter, res_bar
 
 
 @add_params
@@ -536,10 +509,9 @@ class SILEQIIntegrator(SIIntegrator):
         -------
         proc_time : float
             Time spent in CRAM routines for all materials in [s]
-        n_list : list of list of numpy.ndarray
-            Concentrations at each of the intermediate points with
-            the final concentration as the last element
-        op_results : list of openmc.deplete.OperatorResult
+        n_end : list of numpy.ndarray
+            Concentrations at end of interval
+        op_result : openmc.deplete.OperatorResult
             Eigenvalue and reaction rates from intermediate transport
             simulation
         """
@@ -551,7 +523,7 @@ class SILEQIIntegrator(SIIntegrator):
                     self, n_bos, bos_rates, dt, source_rate, i)
             prev_res = self.operator.prev_res[-2]
             prev_dt = self.timesteps[i] - prev_res.time[0]
-            self._prev_rates = prev_res.rates[0]
+            self._prev_rates = prev_res.rates
         else:
             prev_dt = self.timesteps[i - 1]
 
@@ -584,7 +556,10 @@ class SILEQIIntegrator(SIIntegrator):
                 n_inter, inputs, dt, i, matrix_func=leqi_f4)
             proc_time += time1 + time2
 
-        return proc_time, [n_eos, n_inter], [res_bar]
+        # Store updated rates for next step
+        self._prev_rates = copy.deepcopy(bos_rates)
+
+        return proc_time, n_inter, res_bar
 
 
 integrator_by_name = {
diff --git a/openmc/deplete/results.py b/openmc/deplete/results.py
index 7427abd73..e1fcb26b6 100644
--- a/openmc/deplete/results.py
+++ b/openmc/deplete/results.py
@@ -203,7 +203,7 @@ class Results(list):
         # Evaluate value in each region
         for i, result in enumerate(self):
             times[i] = result.time[0]
-            concentrations[i] = result[0, mat_id, nuc]
+            concentrations[i] = result[mat_id, nuc]
 
         # Unit conversions
         times = _get_time_as(times, time_units)
@@ -363,7 +363,7 @@ class Results(list):
         # Evaluate value in each region
         for i, result in enumerate(self):
             times[i] = result.time[0]
-            rates[i] = result.rates[0].get(mat_id, nuc, rx) * result[0, mat, nuc]
+            rates[i] = result.rates.get(mat_id, nuc, rx) * result[mat, nuc]
 
         return times, rates
 
@@ -397,7 +397,7 @@ class Results(list):
         # Get time/eigenvalue at each point
         for i, result in enumerate(self):
             times[i] = result.time[0]
-            eigenvalues[i] = result.k[0]
+            eigenvalues[i] = result.k
 
         # Convert time units if necessary
         times = _get_time_as(times, time_units)
@@ -630,7 +630,7 @@ class Results(list):
                 for nuc in result.index_nuc:
                     if nuc not in available_cross_sections:
                         continue
-                    atoms = result[0, mat_id, nuc]
+                    atoms = result[mat_id, nuc]
                     if atoms > 0.0:
                         atoms_per_barn_cm = 1e-24 * atoms / mat.volume
                         mat.remove_nuclide(nuc) # Replace if it's there
diff --git a/openmc/deplete/stepresult.py b/openmc/deplete/stepresult.py
index 1a26cbe34..ff39e9acb 100644
--- a/openmc/deplete/stepresult.py
+++ b/openmc/deplete/stepresult.py
@@ -16,7 +16,7 @@ from openmc.mpi import comm, MPI
 from openmc.checkvalue import PathLike
 from .reaction_rates import ReactionRates
 
-VERSION_RESULTS = (1, 1)
+VERSION_RESULTS = (1, 2)
 
 
 __all__ = ["StepResult"]
@@ -30,8 +30,8 @@ class StepResult:
 
     Attributes
     ----------
-    k : list of (float, float)
-        Eigenvalue and uncertainty for each substep.
+    k : tuple of (float, float)
+        Eigenvalue and uncertainty at end of step.
     time : list of float
         Time at beginning, end of step, in seconds.
     source_rate : float
@@ -40,8 +40,8 @@ class StepResult:
         Number of mats.
     n_nuc : int
         Number of nuclides.
-    rates : list of ReactionRates
-        The reaction rates for each substep.
+    rates : ReactionRates
+        The reaction rates at end of step.
     volume : dict of str to float
         Dictionary mapping mat id to volume.
     index_mat : dict of str to int
@@ -52,10 +52,8 @@ class StepResult:
         A dictionary mapping mat ID as string to global index.
     n_hdf5_mats : int
         Number of materials in entire geometry.
-    n_stages : int
-        Number of stages in simulation.
     data : numpy.ndarray
-        Atom quantity, stored by stage, mat, then by nuclide.
+        Atom quantity, stored by mat, then by nuclide.
     proc_time : int
         Average time spent depleting a material across all
         materials and processes
@@ -86,17 +84,17 @@ class StepResult:
         Parameters
         ----------
         pos : tuple
-            A three-length tuple containing a stage index, mat index and a nuc
-            index.  All can be integers or slices.  The second two can be
+            A two-length tuple containing a mat index and a nuc
+            index.  Both can be integers or slices, or can be
             strings corresponding to their respective dictionary.
 
         Returns
         -------
         float
-            The atoms for stage, mat, nuc
+            The atoms for mat, nuc
 
         """
-        stage, mat, nuc = pos
+        mat, nuc = pos
         if isinstance(mat, openmc.Material):
             mat = str(mat.id)
         if isinstance(mat, str):
@@ -104,7 +102,7 @@ class StepResult:
         if isinstance(nuc, str):
             nuc = self.index_nuc[nuc]
 
-        return self.data[stage, mat, nuc]
+        return self.data[mat, nuc]
 
     def __setitem__(self, pos, val):
         """Sets an item from results.
@@ -112,21 +110,21 @@ class StepResult:
         Parameters
         ----------
         pos : tuple
-            A three-length tuple containing a stage index, mat index and a nuc
-            index.  All can be integers or slices.  The second two can be
+            A two-length tuple containing a mat index and a nuc
+            index.  Both can be integers or slices, or can be
             strings corresponding to their respective dictionary.
 
         val : float
             The value to set data to.
 
         """
-        stage, mat, nuc = pos
+        mat, nuc = pos
         if isinstance(mat, str):
             mat = self.index_mat[mat]
         if isinstance(nuc, str):
             nuc = self.index_nuc[nuc]
 
-        self.data[stage, mat, nuc] = val
+        self.data[mat, nuc] = val
 
     @property
     def n_mat(self):
@@ -140,11 +138,7 @@ class StepResult:
     def n_hdf5_mats(self):
         return len(self.mat_to_hdf5_ind)
 
-    @property
-    def n_stages(self):
-        return self.data.shape[0]
-
-    def allocate(self, volume, nuc_list, burn_list, full_burn_list, stages):
+    def allocate(self, volume, nuc_list, burn_list, full_burn_list):
         """Allocate memory for depletion step data
 
         Parameters
@@ -157,8 +151,6 @@ class StepResult:
             A list of all mat IDs to be burned.  Used for sorting the simulation.
         full_burn_list : list of str
             List of all burnable material IDs
-        stages : int
-            Number of stages in simulation.
 
         """
         self.volume = copy.deepcopy(volume)
@@ -167,7 +159,7 @@ class StepResult:
         self.mat_to_hdf5_ind = {mat: i for i, mat in enumerate(full_burn_list)}
 
         # Create storage array
-        self.data = np.zeros((stages, self.n_mat, self.n_nuc))
+        self.data = np.zeros((self.n_mat, self.n_nuc))
 
     def distribute(self, local_materials, ranges):
         """Create a new object containing data for distributed materials
@@ -196,8 +188,8 @@ class StepResult:
         for attr in direct_attrs:
             setattr(new, attr, getattr(self, attr))
         # Get applicable slice of data
-        new.data = self.data[:, ranges]
-        new.rates = [r[ranges] for r in self.rates]
+        new.data = self.data[ranges]
+        new.rates = self.rates[ranges]
         return new
 
     def get_material(self, mat_id):
@@ -232,7 +224,7 @@ class StepResult:
                 f'values are {list(self.volume.keys())}'
             ) from e
         for nuc, _ in sorted(self.index_nuc.items(), key=lambda x: x[1]):
-            atoms = self[0, mat_id, nuc]
+            atoms = self[mat_id, nuc]
             if atoms <= 0.0:
                 continue
             atom_per_bcm = atoms / vol * 1e-24
@@ -240,7 +232,7 @@ class StepResult:
         material.volume = vol
         return material
 
-    def export_to_hdf5(self, filename, step):
+    def export_to_hdf5(self, filename, step, write_rates: bool = False):
         """Export results to an HDF5 file
 
         Parameters
@@ -249,6 +241,8 @@ class StepResult:
             The filename to write to
         step : int
             What step is this?
+        write_rates : bool, optional
+            Whether to include reaction rate datasets in the results file.
 
         """
         # Write new file if first time step, else add to existing file
@@ -259,7 +253,8 @@ class StepResult:
             kwargs['driver'] = 'mpio'
             kwargs['comm'] = comm
             with h5py.File(filename, **kwargs) as handle:
-                self._to_hdf5(handle, step, parallel=True)
+                self._to_hdf5(handle, step, parallel=True,
+                              write_rates=write_rates)
         else:
             # Gather results at root process
             all_results = comm.gather(self)
@@ -268,15 +263,18 @@ class StepResult:
             if comm.rank == 0:
                 with h5py.File(filename, **kwargs) as handle:
                     for res in all_results:
-                        res._to_hdf5(handle, step, parallel=False)
+                        res._to_hdf5(handle, step, parallel=False,
+                                     write_rates=write_rates)
 
-    def _write_hdf5_metadata(self, handle):
+    def _write_hdf5_metadata(self, handle, write_rates):
         """Writes result metadata in HDF5 file
 
         Parameters
         ----------
         handle : h5py.File or h5py.Group
             An hdf5 file or group type to store this in.
+        write_rates : bool
+            Whether reaction rate datasets are being written.
 
         """
         # Create and save the 5 dictionaries:
@@ -284,8 +282,8 @@ class StepResult:
         #   self.index_mat -> self.volume (TODO: support for changing volumes)
         #   self.index_nuc
         # reactions
-        #   self.rates[0].index_nuc (can be different from above, above is superset)
-        #   self.rates[0].index_rx
+        #   self.rates.index_nuc (can be different from above, above is superset)
+        #   self.rates.index_rx
         # these are shared by every step of the simulation, and should be deduplicated.
 
         # Store concentration mat and nuclide dictionaries (along with volumes)
@@ -295,13 +293,19 @@ class StepResult:
 
         mat_list = sorted(self.mat_to_hdf5_ind, key=int)
         nuc_list = sorted(self.index_nuc)
-        rxn_list = sorted(self.rates[0].index_rx)
+
+        include_rates = (
+            write_rates
+            and self.rates is not None
+            and bool(self.rates.index_nuc)
+            and bool(self.rates.index_rx)
+        )
+        rxn_list = sorted(self.rates.index_rx) if include_rates else []
 
         n_mats = self.n_hdf5_mats
         n_nuc_number = len(nuc_list)
-        n_nuc_rxn = len(self.rates[0].index_nuc)
+        n_nuc_rxn = len(self.rates.index_nuc) if include_rates else 0
         n_rxn = len(rxn_list)
-        n_stages = self.n_stages
 
         mat_group = handle.create_group("materials")
 
@@ -315,41 +319,44 @@ class StepResult:
         for nuc in nuc_list:
             nuc_single_group = nuc_group.create_group(nuc)
             nuc_single_group.attrs["atom number index"] = self.index_nuc[nuc]
-            if nuc in self.rates[0].index_nuc:
-                nuc_single_group.attrs["reaction rate index"] = self.rates[0].index_nuc[nuc]
+            if include_rates and nuc in self.rates.index_nuc:
+                nuc_single_group.attrs["reaction rate index"] = (
+                    self.rates.index_nuc[nuc])
 
-        rxn_group = handle.create_group("reactions")
+        if include_rates:
+            rxn_group = handle.create_group("reactions")
 
-        for rxn in rxn_list:
-            rxn_single_group = rxn_group.create_group(rxn)
-            rxn_single_group.attrs["index"] = self.rates[0].index_rx[rxn]
+            for rxn in rxn_list:
+                rxn_single_group = rxn_group.create_group(rxn)
+                rxn_single_group.attrs["index"] = (
+                    self.rates.index_rx[rxn])
 
         # Construct array storage
 
-        handle.create_dataset("number", (1, n_stages, n_mats, n_nuc_number),
-                              maxshape=(None, n_stages, n_mats, n_nuc_number),
+        handle.create_dataset("number", (1, n_mats, n_nuc_number),
+                              maxshape=(None, n_mats, n_nuc_number),
                               chunks=True,
                               dtype='float64')
 
-        if n_nuc_rxn > 0 and n_rxn > 0:
-            handle.create_dataset("reaction rates", (1, n_stages, n_mats, n_nuc_rxn, n_rxn),
-                                maxshape=(None, n_stages, n_mats, n_nuc_rxn, n_rxn),
-                                chunks=True,
-                                dtype='float64')
+        if include_rates and n_nuc_rxn > 0 and n_rxn > 0:
+            handle.create_dataset(
+                "reaction rates", (1, n_mats, n_nuc_rxn, n_rxn),
+                maxshape=(None, n_mats, n_nuc_rxn, n_rxn),
+                chunks=True, dtype='float64')
 
-        handle.create_dataset("eigenvalues", (1, n_stages, 2),
-                              maxshape=(None, n_stages, 2), dtype='float64')
+        handle.create_dataset("eigenvalues", (1, 2),
+                              maxshape=(None, 2), dtype='float64')
 
         handle.create_dataset("time", (1, 2), maxshape=(None, 2), dtype='float64')
 
-        handle.create_dataset("source_rate", (1, n_stages), maxshape=(None, n_stages),
+        handle.create_dataset("source_rate", (1,), maxshape=(None,),
                               dtype='float64')
 
         handle.create_dataset(
             "depletion time", (1,), maxshape=(None,),
             dtype="float64")
 
-    def _to_hdf5(self, handle, index, parallel=False):
+    def _to_hdf5(self, handle, index, parallel=False, write_rates: bool = False):
         """Converts results object into an hdf5 object.
 
         Parameters
@@ -360,12 +367,14 @@ class StepResult:
             What step is this?
         parallel : bool
             Being called with parallel HDF5?
+        write_rates : bool, optional
+            Whether reaction rate datasets are being written.
 
         """
         if "/number" not in handle:
             if parallel:
                 comm.barrier()
-            self._write_hdf5_metadata(handle)
+            self._write_hdf5_metadata(handle, write_rates)
 
         if parallel:
             comm.barrier()
@@ -417,18 +426,14 @@ class StepResult:
             return
 
         # Add data
-        # Note, for the last step, self.n_stages = 1, even if n_stages != 1.
-        n_stages = self.n_stages
         inds = [self.mat_to_hdf5_ind[mat] for mat in self.index_mat]
         low = min(inds)
         high = max(inds)
-        for i in range(n_stages):
-            number_dset[index, i, low:high+1] = self.data[i]
-            if has_reactions:
-                rxn_dset[index, i, low:high+1] = self.rates[i]
-            if comm.rank == 0:
-                eigenvalues_dset[index, i] = self.k[i]
+        number_dset[index, low:high+1] = self.data
+        if has_reactions:
+            rxn_dset[index, low:high+1] = self.rates
         if comm.rank == 0:
+            eigenvalues_dset[index] = self.k
             time_dset[index] = self.time
             source_rate_dset[index] = self.source_rate
             if self.proc_time is not None:
@@ -459,10 +464,24 @@ class StepResult:
             # Older versions used "power" instead of "source_rate"
             source_rate_dset = handle["/power"]
 
-        results.data = number_dset[step, :, :, :]
-        results.k = eigenvalues_dset[step, :]
+        # Check if this is an old format file (with stages dimension) or new format
+        # Old format: number has shape (n_steps, n_stages, n_mats, n_nucs)
+        # New format: number has shape (n_steps, n_mats, n_nucs)
+        has_stages = len(number_dset.shape) == 4
+
+        if has_stages:
+            # Old format - extract data from first stage (index 0)
+            results.data = number_dset[step, 0, :, :]
+            results.k = eigenvalues_dset[step, 0, :]
+            # source_rate had shape (n_steps, n_stages) in old format
+            results.source_rate = source_rate_dset[step, 0]
+        else:
+            # New format - no stages dimension
+            results.data = number_dset[step, :, :]
+            results.k = eigenvalues_dset[step, :]
+            results.source_rate = source_rate_dset[step]
+
         results.time = time_dset[step, :]
-        results.source_rate = source_rate_dset[step, 0]
 
         if "depletion time" in handle:
             proc_time_dset = handle["/depletion time"]
@@ -493,33 +512,45 @@ class StepResult:
             if "reaction rate index" in nuc_handle.attrs:
                 rxn_nuc_to_ind[nuc] = nuc_handle.attrs["reaction rate index"]
 
-        for rxn, rxn_handle in handle["/reactions"].items():
-            rxn_to_ind[rxn] = rxn_handle.attrs["index"]
+        if "reactions" in handle:
+            for rxn, rxn_handle in handle["/reactions"].items():
+                rxn_to_ind[rxn] = rxn_handle.attrs["index"]
 
-        results.rates = []
-        # Reconstruct reactions
-        for i in range(results.n_stages):
-            rate = ReactionRates(results.index_mat, rxn_nuc_to_ind, rxn_to_ind, True)
-
-            if "reaction rates" in handle:
-                rate[:] = handle["/reaction rates"][step, i, :, :, :]
-            results.rates.append(rate)
+        # Reconstruct reaction rates
+        rate = ReactionRates(results.index_mat, rxn_nuc_to_ind, rxn_to_ind, True)
+        if "reaction rates" in handle:
+            if has_stages:
+                # Old format: (n_steps, n_stages, n_mats, n_nucs, n_rxns)
+                rate[:] = handle["/reaction rates"][step, 0, :, :, :]
+            else:
+                # New format: (n_steps, n_mats, n_nucs, n_rxns)
+                rate[:] = handle["/reaction rates"][step, :, :, :]
+        results.rates = rate
 
         return results
 
     @staticmethod
-    def save(op, x, op_results, t, source_rate, step_ind, proc_time=None,
-             path: PathLike = "depletion_results.h5"):
+    def save(
+        op,
+        x,
+        op_results,
+        t,
+        source_rate,
+        step_ind,
+        proc_time=None,
+        write_rates: bool = False,
+        path: PathLike = "depletion_results.h5"
+    ):
         """Creates and writes depletion results to disk
 
         Parameters
         ----------
         op : openmc.deplete.abc.TransportOperator
             The operator used to generate these results.
-        x : list of list of numpy.array
-            The prior x vectors.  Indexed [i][cell] using the above equation.
-        op_results : list of openmc.deplete.OperatorResult
-            Results of applying transport operator
+        x : numpy.array
+            End-of-step concentrations for each material
+        op_results : openmc.deplete.OperatorResult
+            Result of applying transport operator at end of step
         t : list of float
             Time indices.
         source_rate : float
@@ -530,7 +561,8 @@ class StepResult:
             Total process time spent depleting materials. This may
             be process-dependent and will be reduced across MPI
             processes.
-
+        write_rates : bool, optional
+            Whether reaction rates should be written to the results file.
         path : PathLike
             Path to file to write. Defaults to 'depletion_results.h5'.
 
@@ -539,26 +571,20 @@ class StepResult:
         # Get indexing terms
         vol_dict, nuc_list, burn_list, full_burn_list = op.get_results_info()
 
-        stages = len(x)
-
         # Create results
         results = StepResult()
-        results.allocate(vol_dict, nuc_list, burn_list, full_burn_list, stages)
+        results.allocate(vol_dict, nuc_list, burn_list, full_burn_list)
 
         n_mat = len(burn_list)
 
-        for i in range(stages):
-            for mat_i in range(n_mat):
-                results[i, mat_i, :] = x[i][mat_i]
+        for mat_i in range(n_mat):
+            results[mat_i, :] = x[mat_i]
 
-        ks = []
-        for r in op_results:
-            if isinstance(r.k, type(None)):
-                ks += [(None, None)]
-            else:
-                ks += [(r.k.nominal_value, r.k.std_dev)]
-        results.k = ks
-        results.rates = [r.rates for r in op_results]
+        if isinstance(op_results.k, type(None)):
+            results.k = (None, None)
+        else:
+            results.k = (op_results.k.nominal_value, op_results.k.std_dev)
+        results.rates = op_results.rates
         results.time = t
         results.source_rate = source_rate
         results.proc_time = proc_time
@@ -567,7 +593,7 @@ class StepResult:
 
         if not Path(path).is_file():
             Path(path).parent.mkdir(parents=True, exist_ok=True)
-        results.export_to_hdf5(path, step_ind)
+        results.export_to_hdf5(path, step_ind, write_rates)
 
     def transfer_volumes(self, model):
         """Transfers volumes from depletion results to geometry
diff --git a/tests/unit_tests/test_deplete_continue.py b/tests/unit_tests/test_deplete_continue.py
index 637c9d5e4..1b6eac238 100644
--- a/tests/unit_tests/test_deplete_continue.py
+++ b/tests/unit_tests/test_deplete_continue.py
@@ -17,7 +17,7 @@ def test_continue(run_in_tmpdir):
     operator = dummy_operator.DummyOperator()
 
     # initial depletion
-    bundle.solver(operator, [1.0, 2.0], [1.0, 2.0]).integrate()
+    bundle.solver(operator, [1.0, 2.0], [1.0, 2.0]).integrate(write_rates=True)
 
     # set up continue run
     prev_res = openmc.deplete.Results(operator.output_dir / "depletion_results.h5")
@@ -25,7 +25,7 @@ def test_continue(run_in_tmpdir):
 
     # if continue run happens, test passes
     bundle.solver(operator, [1.0, 2.0, 3.0, 4.0], [1.0, 2.0, 3.0, 4.0],
-                  continue_timesteps=True).integrate()
+                  continue_timesteps=True).integrate(write_rates=True)
 
     final_res = openmc.deplete.Results(operator.output_dir / "depletion_results.h5")
 
@@ -42,7 +42,7 @@ def test_continue_continue(run_in_tmpdir):
     operator = dummy_operator.DummyOperator()
 
     # initial depletion
-    bundle.solver(operator, [1.0, 2.0], [1.0, 2.0]).integrate()
+    bundle.solver(operator, [1.0, 2.0], [1.0, 2.0]).integrate(write_rates=True)
 
     # set up continue run
     prev_res = openmc.deplete.Results(operator.output_dir / "depletion_results.h5")
@@ -50,7 +50,7 @@ def test_continue_continue(run_in_tmpdir):
 
     # first continue run
     bundle.solver(operator, [1.0, 2.0, 3.0, 4.0], [1.0, 2.0, 3.0, 4.0],
-                  continue_timesteps=True).integrate()
+                  continue_timesteps=True).integrate(write_rates=True)
 
     prev_res = openmc.deplete.Results(operator.output_dir / "depletion_results.h5")
     # second continue run
diff --git a/tests/unit_tests/test_deplete_integrator.py b/tests/unit_tests/test_deplete_integrator.py
index b1d2cb950..6463eaa20 100644
--- a/tests/unit_tests/test_deplete_integrator.py
+++ b/tests/unit_tests/test_deplete_integrator.py
@@ -10,6 +10,7 @@ import copy
 from random import uniform
 from unittest.mock import MagicMock
 
+import h5py
 import numpy as np
 from uncertainties import ufloat
 import pytest
@@ -38,8 +39,6 @@ INTEGRATORS = [
 def test_results_save(run_in_tmpdir):
     """Test data save module"""
 
-    stages = 3
-
     rng = np.random.RandomState(comm.rank)
 
     # Mock geometry
@@ -63,31 +62,22 @@ def test_results_save(run_in_tmpdir):
     op.get_results_info.return_value = (
         vol_dict, nuc_list, burn_list, full_burn_list)
 
-    # Construct x
-    x1 = []
-    x2 = []
+    # Construct end-of-step concentrations
+    x1 = [rng.random(2), rng.random(2)]
+    x2 = [rng.random(2), rng.random(2)]
 
-    for i in range(stages):
-        x1.append([rng.random(2), rng.random(2)])
-        x2.append([rng.random(2), rng.random(2)])
-
-    # Construct r
+    # Construct reaction rates
     r1 = ReactionRates(burn_list, ["na", "nb"], ["ra", "rb"])
     r1[:] = rng.random((2, 2, 2))
+    rate1 = copy.deepcopy(r1)
 
-    rate1 = []
-    rate2 = []
+    r2 = ReactionRates(burn_list, ["na", "nb"], ["ra", "rb"])
+    r2[:] = rng.random((2, 2, 2))
+    rate2 = copy.deepcopy(r2)
 
-    for i in range(stages):
-        rate1.append(copy.deepcopy(r1))
-        r1[:] = rng.random((2, 2, 2))
-        rate2.append(copy.deepcopy(r1))
-        r1[:] = rng.random((2, 2, 2))
-
-    # Create global terms
-    # Col 0: eig, Col 1: uncertainty
-    eigvl1 = rng.random((stages, 2))
-    eigvl2 = rng.random((stages, 2))
+    # Create global terms (eigenvalue and uncertainty)
+    eigvl1 = rng.random(2)
+    eigvl2 = rng.random(2)
 
     eigvl1 = comm.bcast(eigvl1, root=0)
     eigvl2 = comm.bcast(eigvl2, root=0)
@@ -95,29 +85,35 @@ def test_results_save(run_in_tmpdir):
     t1 = [0.0, 1.0]
     t2 = [1.0, 2.0]
 
-    op_result1 = [OperatorResult(ufloat(*k), rates)
-                  for k, rates in zip(eigvl1, rate1)]
-    op_result2 = [OperatorResult(ufloat(*k), rates)
-                  for k, rates in zip(eigvl2, rate2)]
+    op_result1 = OperatorResult(ufloat(*eigvl1), rate1)
+    op_result2 = OperatorResult(ufloat(*eigvl2), rate2)
 
     # saves within a subdirectory
-    StepResult.save(op, x1, op_result1, t1, 0, 0, path='out/put/depletion.h5')
+    StepResult.save(
+        op,
+        x1,
+        op_result1,
+        t1,
+        0,
+        0,
+        write_rates=True,
+        path='out/put/depletion.h5'
+    )
     res = Results('out/put/depletion.h5')
 
     # saves with default filename
-    StepResult.save(op, x1, op_result1, t1, 0, 0)
-    StepResult.save(op, x2, op_result2, t2, 0, 1)
+    StepResult.save(op, x1, op_result1, t1, 0, 0, write_rates=True)
+    StepResult.save(op, x2, op_result2, t2, 0, 1, write_rates=True)
 
     # Load the files
     res = Results("depletion_results.h5")
 
-    for i in range(stages):
-        for mat_i, mat in enumerate(burn_list):
-            for nuc_i, nuc in enumerate(nuc_list):
-                assert res[0][i, mat, nuc] == x1[i][mat_i][nuc_i]
-                assert res[1][i, mat, nuc] == x2[i][mat_i][nuc_i]
-        np.testing.assert_array_equal(res[0].rates[i], rate1[i])
-        np.testing.assert_array_equal(res[1].rates[i], rate2[i])
+    for mat_i, mat in enumerate(burn_list):
+        for nuc_i, nuc in enumerate(nuc_list):
+            assert res[0][mat, nuc] == x1[mat_i][nuc_i]
+            assert res[1][mat, nuc] == x2[mat_i][nuc_i]
+    np.testing.assert_array_equal(res[0].rates, rate1)
+    np.testing.assert_array_equal(res[1].rates, rate2)
 
     np.testing.assert_array_equal(res[0].k, eigvl1)
     np.testing.assert_array_equal(res[0].time, t1)
@@ -126,6 +122,31 @@ def test_results_save(run_in_tmpdir):
     np.testing.assert_array_equal(res[1].time, t2)
 
 
+def test_results_save_without_rates(run_in_tmpdir):
+    """StepResult.save skips reaction-rate datasets by default"""
+
+    op = MagicMock()
+    op.prev_res = None
+    vol_dict = {"0": 1.0}
+    nuc_list = ["na"]
+    burn_list = ["0"]
+    op.get_results_info.return_value = (vol_dict, nuc_list, burn_list, burn_list)
+
+    x = [np.array([1.0])]
+    rates = ReactionRates(burn_list, nuc_list, ["ra"])
+    rates[:] = np.array([[[2.0]]])
+    op_result = OperatorResult(ufloat(1.0, 0.1), rates)
+
+    StepResult.save(op, x, op_result, [0.0, 1.0], 0.0, 0)
+
+    with h5py.File('depletion_results.h5', 'r') as handle:
+        assert 'reaction rates' not in handle
+        assert 'reactions' not in handle
+
+    res = Results('depletion_results.h5')
+    assert res[0].rates.size == 0
+
+
 def test_bad_integrator_inputs():
     """Test failure modes for Integrator inputs"""
 
diff --git a/tests/unit_tests/test_deplete_restart.py b/tests/unit_tests/test_deplete_restart.py
index e8bfc062a..1cbff30a5 100644
--- a/tests/unit_tests/test_deplete_restart.py
+++ b/tests/unit_tests/test_deplete_restart.py
@@ -21,7 +21,7 @@ def test_restart_predictor_cecm(run_in_tmpdir):
     # Perform simulation using the predictor algorithm
     dt = [0.75]
     power = 1.0
-    openmc.deplete.PredictorIntegrator(op, dt, power).integrate()
+    openmc.deplete.PredictorIntegrator(op, dt, power).integrate(write_rates=True)
 
     # Load the files
     prev_res = openmc.deplete.Results(op.output_dir / "depletion_results.h5")
@@ -30,10 +30,6 @@ def test_restart_predictor_cecm(run_in_tmpdir):
     op = dummy_operator.DummyOperator(prev_res)
     op.output_dir = output_dir
 
-    # check ValueError is raised, indicating previous and current stages
-    with pytest.raises(ValueError, match="incompatible.* 1.*2"):
-        openmc.deplete.CECMIntegrator(op, dt, power)
-
 
 def test_restart_cecm_predictor(run_in_tmpdir):
     """Integral regression test of integrator algorithm using CE/CM for the
@@ -47,7 +43,7 @@ def test_restart_cecm_predictor(run_in_tmpdir):
     dt = [0.75]
     power = 1.0
     cecm = openmc.deplete.CECMIntegrator(op, dt, power)
-    cecm.integrate()
+    cecm.integrate(write_rates=True)
 
     # Load the files
     prev_res = openmc.deplete.Results(op.output_dir / "depletion_results.h5")
@@ -56,10 +52,6 @@ def test_restart_cecm_predictor(run_in_tmpdir):
     op = dummy_operator.DummyOperator(prev_res)
     op.output_dir = output_dir
 
-    # check ValueError is raised, indicating previous and current stages
-    with pytest.raises(ValueError, match="incompatible.* 2.*1"):
-        openmc.deplete.PredictorIntegrator(op, dt, power)
-
 
 @pytest.mark.parametrize("scheme", dummy_operator.SCHEMES)
 def test_restart(run_in_tmpdir, scheme):
@@ -70,7 +62,7 @@ def test_restart(run_in_tmpdir, scheme):
     operator = dummy_operator.DummyOperator()
 
     # take first step
-    bundle.solver(operator, [0.75], 1.0).integrate()
+    bundle.solver(operator, [0.75], 1.0).integrate(write_rates=True)
 
     # restart
     prev_res = openmc.deplete.Results(

From d217efa007760dbe927af25063ab6d68990779cc Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 20 Nov 2025 12:10:04 -0600
Subject: [PATCH 2439/2654] Add two MPI barriers in R2S workflow (#3646)

---
 openmc/deplete/microxs.py |  3 ++-
 openmc/deplete/r2s.py     |  1 +
 openmc/lib/core.py        | 10 ++++++++++
 3 files changed, 13 insertions(+), 1 deletion(-)

diff --git a/openmc/deplete/microxs.py b/openmc/deplete/microxs.py
index f4bdc6795..879a2d4ee 100644
--- a/openmc/deplete/microxs.py
+++ b/openmc/deplete/microxs.py
@@ -177,8 +177,9 @@ def get_microxs_and_flux(
         if not openmc.lib.is_initialized:
             run_kwargs.setdefault('cwd', temp_dir)
 
-        # Run transport simulation
+        # Run transport simulation and synchronize
         statepoint_path = model.run(**run_kwargs)
+        comm.barrier()
 
         if comm.rank == 0:
             # Move the statepoint file if it is being saved to a specific path
diff --git a/openmc/deplete/r2s.py b/openmc/deplete/r2s.py
index 7f3e94edd..97277cbda 100644
--- a/openmc/deplete/r2s.py
+++ b/openmc/deplete/r2s.py
@@ -392,6 +392,7 @@ class R2SManager:
         )
         output_path = output_dir / 'depletion_results.h5'
         integrator.integrate(final_step=False, path=output_path)
+        comm.barrier()
 
         # Get depletion results
         self.results['depletion_results'] = Results(output_path)
diff --git a/openmc/lib/core.py b/openmc/lib/core.py
index cfccecef2..02c7784d1 100644
--- a/openmc/lib/core.py
+++ b/openmc/lib/core.py
@@ -7,6 +7,7 @@ import os
 from pathlib import Path
 from random import getrandbits
 from tempfile import TemporaryDirectory
+import traceback as tb
 
 import numpy as np
 from numpy.ctypeslib import as_array
@@ -700,6 +701,15 @@ class TemporarySession:
         if self.already_initialized:
             return
 
+        # If an exception occurred, abort all ranks immediately
+        if exc_type is not None:
+            # Print exception info on the rank that failed
+            tb.print_exception(exc_type, exc_value, traceback)
+            sys.stdout.flush()
+
+            # Abort all MPI processes
+            self.comm.Abort(1)
+
         try:
             finalize()
         finally:

From 27e38e894697bb32a1dac7848d2618818b6b8daf Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Sat, 22 Nov 2025 23:06:17 +0100
Subject: [PATCH 2440/2654] Add release notes for 0.15.3 (#3644)

---
 docs/source/releasenotes/0.15.3.rst           | 226 ++++++++++++++++++
 docs/source/releasenotes/index.rst            |   1 +
 docs/source/usersguide/variance_reduction.rst |   4 +-
 openmc/model/model.py                         |   6 +-
 openmc/settings.py                            |   9 +-
 5 files changed, 240 insertions(+), 6 deletions(-)
 create mode 100644 docs/source/releasenotes/0.15.3.rst

diff --git a/docs/source/releasenotes/0.15.3.rst b/docs/source/releasenotes/0.15.3.rst
new file mode 100644
index 000000000..c50958104
--- /dev/null
+++ b/docs/source/releasenotes/0.15.3.rst
@@ -0,0 +1,226 @@
+====================
+What's New in 0.15.3
+====================
+
+.. currentmodule:: openmc
+
+-------
+Summary
+-------
+
+This release of OpenMC includes many bug fixes, performance improvements, and
+several notable new features. The major highlights of this release include a new
+:class:`~openmc.deplete.R2SManager` class that automates the workflow for
+rigorous 2-step (R2S) shutdown dose rate calculations, the ability to collect
+higher moments for tally results that can be used to test normality, a new
+uncertainty-aware criticality search method, a new collision tracking feature
+that enables detailed tracking of particle interactions, support for distributed
+cell densities, and several new tally filters. The random ray solver also
+continues to receive significant updates, including automatic setup
+capabilities, improved geometry handling, and better weight window support.
+Depletion capabilities have been expanded with thermochemical redox control,
+external transfer rates, and improved performance.
+
+------------------------------------
+Compatibility Notes and Deprecations
+------------------------------------
+
+MCPL has been changed from a build-time dependency to a runtime optional
+dependency, which means OpenMC will attempt to load the MCPL library at
+runtime when needed rather than requiring it at build time.
+
+The ``openmc.mgxs.Library.add_to_tallies_file`` method has been renamed to
+:meth:`openmc.mgxs.Library.add_to_tallies`.
+
+------------
+New Features
+------------
+
+- A new collision tracking feature enables detailed tracking of particle
+  interactions (`#3417 <https://github.com/openmc-dev/openmc/pull/3417>`_)
+- Added :meth:`~openmc.model.Model.keff_search` method for automated criticality
+  searches (`#3569 <https://github.com/openmc-dev/openmc/pull/3569>`_)
+- Introduced automated workflow for mesh- or cell-based R2S calculations
+  (`#3508 <https://github.com/openmc-dev/openmc/pull/3508>`_)
+- Ability to source electron/positrons directly for charged particle
+  simulations (`#3404 <https://github.com/openmc-dev/openmc/pull/3404>`_)
+- Multi-group capability for kinetics parameter calculations with Iterated
+  Fission Probability (`#3425
+  <https://github.com/openmc-dev/openmc/pull/3425>`_)
+- Introduced a new :class:`openmc.MeshMaterialFilter` class (`#3406
+  <https://github.com/openmc-dev/openmc/pull/3406>`_)
+- Added support for distributed cell densities (`#3546
+  <https://github.com/openmc-dev/openmc/pull/3546>`_)
+- Implemented a :class:`openmc.WeightWindowsList` class that enables export to
+  HDF5 (`#3456 <https://github.com/openmc-dev/openmc/pull/3456>`_)
+- Added :meth:`openmc.Material.mean_free_path` method (`#3469
+  <https://github.com/openmc-dev/openmc/pull/3469>`_)
+- Introduced :func:`openmc.lib.TemporarySession` context manager (`#3475
+  <https://github.com/openmc-dev/openmc/pull/3475>`_)
+- Added material depletion function for tracking individual material depletion
+  (`#3420 <https://github.com/openmc-dev/openmc/pull/3420>`_)
+- Added methods on :class:`~openmc.Material` class for waste disposal rating /
+  classification (`#3366 <https://github.com/openmc-dev/openmc/pull/3366>`_,
+  `#3376 <https://github.com/openmc-dev/openmc/pull/3376>`_)
+- Support for thermochemical redox control transfer rates in depletion
+  (`#2783 <https://github.com/openmc-dev/openmc/pull/2783>`_)
+- Support for external transfer rates source term in depletion (`#3088
+  <https://github.com/openmc-dev/openmc/pull/3088>`_)
+- Added combing capability for fission site sampling and delayed neutron
+  emission time (`#2992 <https://github.com/openmc-dev/openmc/pull/2992>`_)
+- Ability to specify reference direction for azimuthal angle in
+  :class:`~openmc.stats.PolarAzimuthal` distribution (`#3582
+  <https://github.com/openmc-dev/openmc/pull/3582>`_)
+- Allow spatial constraints on element sources within
+  :class:`~openmc.MeshSource` (`#3431
+  <https://github.com/openmc-dev/openmc/pull/3431>`_)
+- Added VTK HDF (.vtkhdf) format support for writing VTK data (`#3252
+  <https://github.com/openmc-dev/openmc/pull/3252>`_)
+- Implemented filter weight capability (`#3345
+  <https://github.com/openmc-dev/openmc/pull/3345>`_)
+- Optionally collect higher moments for tallies (`#3363
+  <https://github.com/openmc-dev/openmc/pull/3363>`_)
+- Several random ray solver enhancements:
+
+  - Random Ray AutoMagic Setup for automatic configuration (`#3351 <https://github.com/openmc-dev/openmc/pull/3351>`_)
+  - Point source locator for random ray mode (`#3360 <https://github.com/openmc-dev/openmc/pull/3360>`_)
+  - Support for DAGMC geometries (`#3374 <https://github.com/openmc-dev/openmc/pull/3374>`_)
+  - Optimized mapping of source regions to tallies (`#3465 <https://github.com/openmc-dev/openmc/pull/3465>`_)
+  - Base source region refactor (`#3576 <https://github.com/openmc-dev/openmc/pull/3576>`_)
+
+---------------------------
+Bug Fixes and Small Changes
+---------------------------
+
+- Add two MPI barriers in R2S workflow (`#3646 <https://github.com/openmc-dev/openmc/pull/3646>`_)
+- Fix a few warnings, rename add_to_tallies_file (`#3639 <https://github.com/openmc-dev/openmc/pull/3639>`_)
+- Fix typo in DAGMC lost particle test (`#3634 <https://github.com/openmc-dev/openmc/pull/3634>`_)
+- Avoid multiprocessing Pool when running depletion tests with MPI (`#3633 <https://github.com/openmc-dev/openmc/pull/3633>`_)
+- Support MPI parallelism in R2SManager (`#3632 <https://github.com/openmc-dev/openmc/pull/3632>`_)
+- Update documentation for particle tracks (`#3627 <https://github.com/openmc-dev/openmc/pull/3627>`_)
+- Adding variance of variance and normality tests for tally statistics (`#3454 <https://github.com/openmc-dev/openmc/pull/3454>`_)
+- Avoid divide-by-zero in ``from_multigroup_flux`` when flux is zero (`#3624 <https://github.com/openmc-dev/openmc/pull/3624>`_)
+- Write particle states as separate lines in track VTK files (`#3628 <https://github.com/openmc-dev/openmc/pull/3628>`_)
+- Reset DAGMC history when reviving from source (`#3601 <https://github.com/openmc-dev/openmc/pull/3601>`_)
+- Add energy group structure: SCALE-999 (`#3564 <https://github.com/openmc-dev/openmc/pull/3564>`_)
+- Fix bug in normalization of tally results with no_reduce (`#3619 <https://github.com/openmc-dev/openmc/pull/3619>`_)
+- Enable nuclide filters with get_decay_photon_energy (`#3614 <https://github.com/openmc-dev/openmc/pull/3614>`_)
+- Update ``check_type`` calls to accept both ``str`` and ``os.PathLike`` objects (`#3618 <https://github.com/openmc-dev/openmc/pull/3618>`_)
+- Speed up ``apply_time_correction`` by reducing file I/O and deepcopies (`#3617 <https://github.com/openmc-dev/openmc/pull/3617>`_)
+- FW-CADIS Disregard Max Realizations Setting (`#3616 <https://github.com/openmc-dev/openmc/pull/3616>`_)
+- Random Ray Geometry Debug Mode Fix (`#3615 <https://github.com/openmc-dev/openmc/pull/3615>`_)
+- Don't write reaction rates in depletion results by default (`#3609 <https://github.com/openmc-dev/openmc/pull/3609>`_)
+- Allow Path objects in MGXSLibrary.export_to_hdf5 (`#3608 <https://github.com/openmc-dev/openmc/pull/3608>`_)
+- Clip mixture distributions based on mean times integral (`#3603 <https://github.com/openmc-dev/openmc/pull/3603>`_)
+- Allow V0 in atomic_mass function (for ENDF/B-VII.0 data) (`#3607 <https://github.com/openmc-dev/openmc/pull/3607>`_)
+- Re-run flaky tests when needed (`#3604 <https://github.com/openmc-dev/openmc/pull/3604>`_)
+- Ability to load mesh objects from weight_windows.h5 file (`#3598 <https://github.com/openmc-dev/openmc/pull/3598>`_)
+- Switch to using coveralls github action for reporting (`#3594 <https://github.com/openmc-dev/openmc/pull/3594>`_)
+- Add user setting for free gas threshold (`#3593 <https://github.com/openmc-dev/openmc/pull/3593>`_)
+- Speed up time correction factors (`#3592 <https://github.com/openmc-dev/openmc/pull/3592>`_)
+- Fix caching issue when using NCrystal materials (`#3538 <https://github.com/openmc-dev/openmc/pull/3538>`_)
+- Fix random ray source region mesh export when using model.export_to_xml() (`#3579 <https://github.com/openmc-dev/openmc/pull/3579>`_)
+- Ensure weight_windows_file information is read from XML (`#3587 <https://github.com/openmc-dev/openmc/pull/3587>`_)
+- Add missing documentation on <source> in depletion chain file format (`#3590 <https://github.com/openmc-dev/openmc/pull/3590>`_)
+- Adding tally filter type option to statepoint get_tally (`#3584 <https://github.com/openmc-dev/openmc/pull/3584>`_)
+- Optional separation of mesh-material-volume calc from get_homogenized_materials (`#3581 <https://github.com/openmc-dev/openmc/pull/3581>`_)
+- Fix IFP implementation (`#3580 <https://github.com/openmc-dev/openmc/pull/3580>`_)
+- Remove several TODOs related to C++17 support (`#3574 <https://github.com/openmc-dev/openmc/pull/3574>`_)
+- Fix performance regression in libMesh unstructured mesh tallies (`#3577 <https://github.com/openmc-dev/openmc/pull/3577>`_)
+- Update find_package calls in OpenMCConfig.cmake (`#3572 <https://github.com/openmc-dev/openmc/pull/3572>`_)
+- Ensure ``n_dimension_`` attribute is set for unstructured meshes (`#3575 <https://github.com/openmc-dev/openmc/pull/3575>`_)
+- Allow newer Sphinx version and fix docbuild warnings (`#3571 <https://github.com/openmc-dev/openmc/pull/3571>`_)
+- Fixed a bug when combining TimeFilter, MeshFilter, and tracklength estimator (`#3525 <https://github.com/openmc-dev/openmc/pull/3525>`_)
+- PowerLaw raises an error if sampling interval contains negative values (`#3542 <https://github.com/openmc-dev/openmc/pull/3542>`_)
+- depletion: fix performance of chain matrix construction (`#3567 <https://github.com/openmc-dev/openmc/pull/3567>`_)
+- Do not apply boundary conditions when initialized in volume calculation mode (`#3562 <https://github.com/openmc-dev/openmc/pull/3562>`_)
+- Bump up tolerance for flaky activation test (`#3560 <https://github.com/openmc-dev/openmc/pull/3560>`_)
+- Fixed a bug in plotting cross sections with S(a,b) data (`#3558 <https://github.com/openmc-dev/openmc/pull/3558>`_)
+- Change test order to run unit tests first (`#3533 <https://github.com/openmc-dev/openmc/pull/3533>`_)
+- adding ecco 33 (`#3556 <https://github.com/openmc-dev/openmc/pull/3556>`_)
+- Refactor endf_data to be a fixture (`#3539 <https://github.com/openmc-dev/openmc/pull/3539>`_)
+- Revert "fix broken CI" (`#3554 <https://github.com/openmc-dev/openmc/pull/3554>`_)
+- fix broken CI (`#3551 <https://github.com/openmc-dev/openmc/pull/3551>`_)
+- Leverage particle.move_distance in event advance (`#3544 <https://github.com/openmc-dev/openmc/pull/3544>`_)
+- fix tests that accidentaly got broken (`#3543 <https://github.com/openmc-dev/openmc/pull/3543>`_)
+- not printing nuclides with 0 percent to terminal (option 2 ) (`#3448 <https://github.com/openmc-dev/openmc/pull/3448>`_)
+- Fix a bug in time cutoff behavior (`#3526 <https://github.com/openmc-dev/openmc/pull/3526>`_)
+- Avoid duplicate materials written to XML (`#3536 <https://github.com/openmc-dev/openmc/pull/3536>`_)
+- Use cached property for openmc.data.Decay.sources (`#3535 <https://github.com/openmc-dev/openmc/pull/3535>`_)
+- more helpful error message for dose_coefficients (`#3534 <https://github.com/openmc-dev/openmc/pull/3534>`_)
+- Adding 616 group structure (`#3531 <https://github.com/openmc-dev/openmc/pull/3531>`_)
+- Remove unused special accessors for tallies (`#3527 <https://github.com/openmc-dev/openmc/pull/3527>`_)
+- Consistent XML parsing using functions from _xml module (`#3517 <https://github.com/openmc-dev/openmc/pull/3517>`_)
+- Add stat:sum field to MCPL files for proper weight normalization (`#3522 <https://github.com/openmc-dev/openmc/pull/3522>`_)
+- Remove reorder_attributes from openmc._xml (`#3519 <https://github.com/openmc-dev/openmc/pull/3519>`_)
+- fixed a bug in MeshMaterialFilter.from_volumes (`#3520 <https://github.com/openmc-dev/openmc/pull/3520>`_)
+- Fixed a bug in distribcell offsets logic (`#3424 <https://github.com/openmc-dev/openmc/pull/3424>`_)
+- Add test for FW-CADIS based WW generation on a DAGMC model (`#3504 <https://github.com/openmc-dev/openmc/pull/3504>`_)
+- Fix for Weight Window Scaling Bug (`#3511 <https://github.com/openmc-dev/openmc/pull/3511>`_)
+- Fix: ``materials``, ``plots``, and ``tallies`` cannot be passed as lists (`#3513 <https://github.com/openmc-dev/openmc/pull/3513>`_)
+- Allow already-initialized openmc.lib in TemporarySession (`#3505 <https://github.com/openmc-dev/openmc/pull/3505>`_)
+- Update DAGMC and libMesh precompiler definitions (`#3510 <https://github.com/openmc-dev/openmc/pull/3510>`_)
+- Avoid adding ParentNuclideFilter twice when calling prepare_tallies (`#3506 <https://github.com/openmc-dev/openmc/pull/3506>`_)
+- Enabling MCPL source files to be read when using surf_source_read (`#3472 <https://github.com/openmc-dev/openmc/pull/3472>`_)
+- Boundary info accessors (`#3496 <https://github.com/openmc-dev/openmc/pull/3496>`_)
+- automatically finding appropriate dimension when making regular mesh from domain (`#3468 <https://github.com/openmc-dev/openmc/pull/3468>`_)
+- Add accessor methods for LocalCoord (`#3494 <https://github.com/openmc-dev/openmc/pull/3494>`_)
+- Make MCPL a Runtime Optional Dependency (`#3429 <https://github.com/openmc-dev/openmc/pull/3429>`_)
+- Use auto-chunking for StepResult HDF5 writing (`#3498 <https://github.com/openmc-dev/openmc/pull/3498>`_)
+- Provide a way to get ID maps from plot parameters on the Model class (`#3481 <https://github.com/openmc-dev/openmc/pull/3481>`_)
+- Update OSX install instructions to point to x64 platform (`#3501 <https://github.com/openmc-dev/openmc/pull/3501>`_)
+- Update conda install instructions for macOS Apple silicon (`#3488 <https://github.com/openmc-dev/openmc/pull/3488>`_)
+- Only show warning if in restart mode (`#3478 <https://github.com/openmc-dev/openmc/pull/3478>`_)
+- Add flag to CMakeLists to use submodules instead of searching (`#3480 <https://github.com/openmc-dev/openmc/pull/3480>`_)
+- Added citation metadata file (`#3409 <https://github.com/openmc-dev/openmc/pull/3409>`_)
+- fix zam parsing (`#3484 <https://github.com/openmc-dev/openmc/pull/3484>`_)
+- Support flux collapse method in ``get_microxs_and_flux`` (`#3466 <https://github.com/openmc-dev/openmc/pull/3466>`_)
+- Stabilize Adjoint Source (`#3476 <https://github.com/openmc-dev/openmc/pull/3476>`_)
+- Refactor and Harden Configuration Management (`#3461 <https://github.com/openmc-dev/openmc/pull/3461>`_)
+- Updated Docs to Not Give Specific Python Version Requirement (`#3473 <https://github.com/openmc-dev/openmc/pull/3473>`_)
+- Parallelization of Weight Window Update (`#3467 <https://github.com/openmc-dev/openmc/pull/3467>`_)
+- Limit Random Ray Weight Window Generation to Final Batch (`#3464 <https://github.com/openmc-dev/openmc/pull/3464>`_)
+- Fix Dockerfile DAGMC build (`#3463 <https://github.com/openmc-dev/openmc/pull/3463>`_)
+- Fix Weight Window Infinite Loop Bug (`#3457 <https://github.com/openmc-dev/openmc/pull/3457>`_)
+- Weight Window Birth Scaling (`#3459 <https://github.com/openmc-dev/openmc/pull/3459>`_)
+- Adding checks to geometry.plot to avoid material name overlaps (`#3458 <https://github.com/openmc-dev/openmc/pull/3458>`_)
+- Fixing crash when calling Geometry.plot when DAGMCUniverse in geometry (`#3455 <https://github.com/openmc-dev/openmc/pull/3455>`_)
+- fixing expansion of elemental Ta bug (`#3443 <https://github.com/openmc-dev/openmc/pull/3443>`_)
+- Prevent Adjoint Sources from Trending towards Infinity (`#3449 <https://github.com/openmc-dev/openmc/pull/3449>`_)
+- adding plot function to DAGMCUnvierse (`#3451 <https://github.com/openmc-dev/openmc/pull/3451>`_)
+- Allow specifying number of equiprobable angles for thermal scattering data generation (`#3346 <https://github.com/openmc-dev/openmc/pull/3346>`_)
+- Change Dockerfile from debian:bookworm-slim to ubuntu:24.04 (`#3442 <https://github.com/openmc-dev/openmc/pull/3442>`_)
+- Fix Resetting of Auto IDs When Generating MGXS (`#3437 <https://github.com/openmc-dev/openmc/pull/3437>`_)
+- Allowing chain_file to be chain object to save reloading time (`#3436 <https://github.com/openmc-dev/openmc/pull/3436>`_)
+- update units for flux (`#3441 <https://github.com/openmc-dev/openmc/pull/3441>`_)
+- Fix raytrace infinite loop (`#3423 <https://github.com/openmc-dev/openmc/pull/3423>`_)
+- Apply Max Number of Events Check to Random Rays (`#3438 <https://github.com/openmc-dev/openmc/pull/3438>`_)
+- Add user setting for source rejection fraction (`#3433 <https://github.com/openmc-dev/openmc/pull/3433>`_)
+- Adding fix and tests for spherical mesh as spatial distribution (`#3428 <https://github.com/openmc-dev/openmc/pull/3428>`_)
+- Random Ray Missed Cell Policy Change for Adjoint Mode (`#3434 <https://github.com/openmc-dev/openmc/pull/3434>`_)
+- Random Ray External Source Plotting Fix (`#3430 <https://github.com/openmc-dev/openmc/pull/3430>`_)
+- Avoid negative heating values during pair production and bremsstrahlung (`#3426 <https://github.com/openmc-dev/openmc/pull/3426>`_)
+- Fix no serialization of periodic_surface_id bug (`#3421 <https://github.com/openmc-dev/openmc/pull/3421>`_)
+- Update _get_start_data to always grab the beginning of timestep time (`#3414 <https://github.com/openmc-dev/openmc/pull/3414>`_)
+- Fixed a bug in charged particle energy deposition (`#3416 <https://github.com/openmc-dev/openmc/pull/3416>`_)
+- Fix bug where the same mesh is written multiple times to settings.xml (`#3418 <https://github.com/openmc-dev/openmc/pull/3418>`_)
+- small typo - spelling of Debian (`#3411 <https://github.com/openmc-dev/openmc/pull/3411>`_)
+- added test for dagmc geometry plot (`#3375 <https://github.com/openmc-dev/openmc/pull/3375>`_)
+- Random Ray Misc Memory Error Fixes (`#3405 <https://github.com/openmc-dev/openmc/pull/3405>`_)
+- added type hints to model file (`#3399 <https://github.com/openmc-dev/openmc/pull/3399>`_)
+- Apply resolve paths to path values in ``config`` (`#3400 <https://github.com/openmc-dev/openmc/pull/3400>`_)
+- Fixing an incorrect computation of CDF of bremsstrahlung photons (`#3396 <https://github.com/openmc-dev/openmc/pull/3396>`_)
+- Fix weight modification for uniform source sampling (`#3395 <https://github.com/openmc-dev/openmc/pull/3395>`_)
+- Updates to VTK data checks (`#3371 <https://github.com/openmc-dev/openmc/pull/3371>`_)
+- Map Compton subshell data to atomic relaxation data (`#3392 <https://github.com/openmc-dev/openmc/pull/3392>`_)
+- Skip atomic relaxation if binding energy is larger than photon energy (`#3391 <https://github.com/openmc-dev/openmc/pull/3391>`_)
+- Fix extremely large yields from Bremsstrahlung (`#3386 <https://github.com/openmc-dev/openmc/pull/3386>`_)
+- corrected tally name in D1S example (`#3383 <https://github.com/openmc-dev/openmc/pull/3383>`_)
+- Install MCPL using same build type as OpenMC in CI (`#3388 <https://github.com/openmc-dev/openmc/pull/3388>`_)
+- using reduce chain level to remove need for reduce chain (`#3377 <https://github.com/openmc-dev/openmc/pull/3377>`_)
+- Fix negative distances from bins_crossed for CylindricalMesh (`#3370 <https://github.com/openmc-dev/openmc/pull/3370>`_)
+- Add check for equal value bins in an EnergyFilter (`#3372 <https://github.com/openmc-dev/openmc/pull/3372>`_)
+- Fix for Issue Loading MGXS Data Files with LLVM 20 or Newer (`#3368 <https://github.com/openmc-dev/openmc/pull/3368>`_)
+- Report plot ID instead of index for unsupported plot types in random ray mode (`#3361 <https://github.com/openmc-dev/openmc/pull/3361>`_)
+- Handle Missing Tags in Versioning by Setting Default to 0 (`#3359 <https://github.com/openmc-dev/openmc/pull/3359>`_)
+- added kg units to doc string in results class (`#3358 <https://github.com/openmc-dev/openmc/pull/3358>`_)
diff --git a/docs/source/releasenotes/index.rst b/docs/source/releasenotes/index.rst
index d24b83f9e..1292599ba 100644
--- a/docs/source/releasenotes/index.rst
+++ b/docs/source/releasenotes/index.rst
@@ -7,6 +7,7 @@ Release Notes
 .. toctree::
   :maxdepth: 1
 
+  0.15.3
   0.15.2
   0.15.1
   0.15.0
diff --git a/docs/source/usersguide/variance_reduction.rst b/docs/source/usersguide/variance_reduction.rst
index 5c2485158..93321e107 100644
--- a/docs/source/usersguide/variance_reduction.rst
+++ b/docs/source/usersguide/variance_reduction.rst
@@ -51,7 +51,7 @@ With the :class:`~openmc.WeightWindowGenerator` instance added to the
 :attr:`~openmc.Settings`, the rest of the problem can be defined as normal. When
 running, note that the second iteration and beyond may be several orders of
 magnitude slower than the first. As the weight windows are applied in each
-iteration, particles may be agressively split, resulting in a large number of
+iteration, particles may be aggressively split, resulting in a large number of
 secondary (split) particles being generated per initial source particle. This is
 not necessarily a bad thing, as the split particles are much more efficient at
 exploring low flux regions of phase space as compared to initial particles.
@@ -161,7 +161,7 @@ solver, the Python input just needs to load the h5 file::
 
     settings.weight_window_checkpoints = {'collision': True, 'surface': True}
     settings.survival_biasing = False
-    settings.weight_windows = openmc.WeightWindowsList.from_hdf5('weight_windows.h5')
+    settings.weight_windows_file = "weight_windows.h5"
     settings.weight_windows_on = True
 
 The :class:`~openmc.WeightWindowGenerator` instance is not needed to load an
diff --git a/openmc/model/model.py b/openmc/model/model.py
index 10e5cbfc7..48ae9f0b9 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -2112,8 +2112,12 @@ class Model:
         groups : openmc.mgxs.EnergyGroups or str, optional
             Energy group structure for the MGXS or the name of the group
             structure (based on keys from openmc.mgxs.GROUP_STRUCTURES).
+        nparticles : int, optional
+            Number of particles to simulate per batch when generating MGXS.
+        overwrite_mgxs_library : bool, optional
+            Whether to overwrite an existing MGXS library file.
         mgxs_path : str, optional
-            Filename of the mgxs.h5 library file.
+            Path to the mgxs.h5 library file.
         correction : str, optional
             Transport correction to apply to the MGXS. Options are None and
             "P0".
diff --git a/openmc/settings.py b/openmc/settings.py
index 43c1fe069..289fb35b7 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -1278,9 +1278,12 @@ class Settings:
         return self._weight_windows_file
 
     @weight_windows_file.setter
-    def weight_windows_file(self, value: PathLike):
-        cv.check_type('weight windows file', value, PathLike)
-        self._weight_windows_file = input_path(value)
+    def weight_windows_file(self, value: PathLike | None):
+        if value is None:
+            self._weight_windows_file = None
+        else:
+            cv.check_type('weight windows file', value, PathLike)
+            self._weight_windows_file = input_path(value)
 
     @property
     def weight_window_generators(self) -> list[WeightWindowGenerator]:

From dcb7443711a5ae761bcc686fdfa6703937d51ab1 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Thu, 27 Nov 2025 17:03:38 +0100
Subject: [PATCH 2441/2654] added test to check dagmc name is in xml (#3657)

---
 openmc/dagmc.py                      | 2 ++
 tests/unit_tests/dagmc/test_model.py | 3 ++-
 2 files changed, 4 insertions(+), 1 deletion(-)

diff --git a/openmc/dagmc.py b/openmc/dagmc.py
index d1265be26..3cb48ddf1 100644
--- a/openmc/dagmc.py
+++ b/openmc/dagmc.py
@@ -302,6 +302,8 @@ class DAGMCUniverse(openmc.UniverseBase):
         dagmc_element = ET.Element('dagmc_universe')
         dagmc_element.set('id', str(self.id))
 
+        if self.name:
+            dagmc_element.set('name', self.name)
         if self.auto_geom_ids:
             dagmc_element.set('auto_geom_ids', 'true')
         if self.auto_mat_ids:
diff --git a/tests/unit_tests/dagmc/test_model.py b/tests/unit_tests/dagmc/test_model.py
index 0de4f6092..0917f5b23 100644
--- a/tests/unit_tests/dagmc/test_model.py
+++ b/tests/unit_tests/dagmc/test_model.py
@@ -31,7 +31,7 @@ def model(request):
 
     p = Path(request.fspath).parent / "dagmc.h5m"
 
-    daguniv = openmc.DAGMCUniverse(p, auto_geom_ids=True)
+    daguniv = openmc.DAGMCUniverse(p, name='simple-dagmc', auto_geom_ids=True)
 
     lattice = openmc.RectLattice()
     lattice.dimension = [2, 2]
@@ -232,6 +232,7 @@ def test_dagmc_xml(model):
     dagmc_ele = root.find('dagmc_universe')
 
     assert dagmc_ele.get('id') == str(dag_univ.id)
+    assert dagmc_ele.get('name') == str(dag_univ.name)
     assert dagmc_ele.get('filename') == str(dag_univ.filename)
     assert dagmc_ele.get('auto_geom_ids') == str(dag_univ.auto_geom_ids).lower()
 

From 7ab92ec142470da4cc1f685f0434777772c5343a Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 28 Nov 2025 16:39:08 +0100
Subject: [PATCH 2442/2654] Fix typo in description of distance_inactive for
 random ray setting (#3663)

---
 openmc/settings.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/settings.py b/openmc/settings.py
index 289fb35b7..76e191c5e 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -182,7 +182,7 @@ class Settings:
         Options for configuring the random ray solver. Acceptable keys are:
 
         :distance_inactive:
-            Indicates the total active distance in [cm] a ray should travel
+            Indicates the total inactive distance in [cm] a ray should travel
         :distance_active:
             Indicates the total active distance in [cm] a ray should travel
         :ray_source:

From ef22558f4a037585c4fdd96a1a64dd2781a72c37 Mon Sep 17 00:00:00 2001
From: GuySten <62616591+GuySten@users.noreply.github.com>
Date: Sat, 29 Nov 2025 17:28:18 +0200
Subject: [PATCH 2443/2654] fix a bug in borated_water temperature assignment
 (#3662)

---
 openmc/model/funcs.py             | 9 +++------
 tests/unit_tests/test_material.py | 1 +
 2 files changed, 4 insertions(+), 6 deletions(-)

diff --git a/openmc/model/funcs.py b/openmc/model/funcs.py
index 41aa920ea..e076b080a 100644
--- a/openmc/model/funcs.py
+++ b/openmc/model/funcs.py
@@ -39,8 +39,8 @@ def borated_water(boron_ppm, temperature=293., pressure=0.1013, temp_unit='K',
     press_unit : {'MPa', 'psi'}
         The units used for the `pressure` argument.
     density : float
-        Water density in [g / cm^3].  If specified, this value overrides the
-        temperature and pressure arguments.
+        Water density in [g / cm^3].  If specified, this value overrides 
+        the value that is computed from the temperature and pressure arguments.
     **kwargs
         All keyword arguments are passed to the created Material object.
 
@@ -95,10 +95,7 @@ def borated_water(boron_ppm, temperature=293., pressure=0.1013, temp_unit='K',
     frac_B = boron_ppm * 1e-6 / M_B
 
     # Build the material.
-    if density is None:
-        out = openmc.Material(temperature=T, **kwargs)
-    else:
-        out = openmc.Material(**kwargs)
+    out = openmc.Material(temperature=T, **kwargs)
     out.add_element('H', frac_H, 'ao')
     out.add_element('O', frac_O, 'ao')
     out.add_element('B', frac_B, 'ao')
diff --git a/tests/unit_tests/test_material.py b/tests/unit_tests/test_material.py
index 2e3724272..ce58339d7 100644
--- a/tests/unit_tests/test_material.py
+++ b/tests/unit_tests/test_material.py
@@ -481,6 +481,7 @@ def test_borated_water():
     # Test the density override
     m = openmc.model.borated_water(975, 566.5, 15.51, density=0.9)
     assert m.density == pytest.approx(0.9, 1e-3)
+    assert m.temperature == pytest.approx(566.5)
 
 
 def test_from_xml(run_in_tmpdir):

From 9e9ab848337bc1ba208c72ecbb3fb548f19bb2a1 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 2 Dec 2025 10:11:56 -0600
Subject: [PATCH 2444/2654] Update C++/CMake policy based on Ubuntu 22.04
 (#3666)

---
 docs/source/devguide/policies.rst | 8 ++++----
 1 file changed, 4 insertions(+), 4 deletions(-)

diff --git a/docs/source/devguide/policies.rst b/docs/source/devguide/policies.rst
index 2cf319987..3644ae822 100644
--- a/docs/source/devguide/policies.rst
+++ b/docs/source/devguide/policies.rst
@@ -21,8 +21,8 @@ C++ code in OpenMC must conform to the most recent C++ standard that is fully
 supported in the `version of the gcc compiler
 <https://gcc.gnu.org/projects/cxx-status.html>`_ that is distributed with the
 oldest version of Ubuntu that is still within its `standard support period
-<https://ubuntu.com/about/release-cycle>`_. Ubuntu 20.04 LTS will be supported
-through April 2025 and is distributed with gcc 9.3.0, which fully supports the
+<https://ubuntu.com/about/release-cycle>`_. Ubuntu 22.04 LTS will be supported
+through April 2027 and is distributed with gcc 11.4.0, which fully supports the
 C++17 standard.
 
 --------------------
@@ -31,5 +31,5 @@ CMake Version Policy
 
 Similar to the C++ standard policy, the minimum supported version of CMake
 corresponds to whatever version is distributed with the oldest version of Ubuntu
-still within its standard support period. Ubuntu 20.04 LTS is distributed with
-CMake 3.16.
+still within its standard support period. Ubuntu 22.04 LTS is distributed with
+CMake 3.22.

From 10706510bfb7e89555bb89bccc849bfde36be409 Mon Sep 17 00:00:00 2001
From: John Tramm <john.tramm@gmail.com>
Date: Tue, 2 Dec 2025 22:00:32 -0600
Subject: [PATCH 2445/2654] Random Ray Eigenvalue Flux Normalization Change
 (#3595)

Co-authored-by: Copilot <175728472+Copilot@users.noreply.github.com>
---
 .../openmc/random_ray/flat_source_domain.h    |   3 +
 src/eigenvalue.cpp                            |  10 +
 src/random_ray/flat_source_domain.cpp         |  32 +-
 src/random_ray/linear_source_domain.cpp       |   6 +-
 .../random_ray_adjoint_k_eff/results_true.dat | 244 +++++++--------
 .../infinite_medium/results_true.dat          |   2 +-
 .../material_wise/results_true.dat            |   2 +-
 .../stochastic_slab/results_true.dat          |   2 +-
 .../random_ray_auto_convert/test.py           |   2 +-
 .../results_true.dat                          |   2 +-
 .../random_ray_diagonal_stabilization/test.py |   2 +-
 .../results_true.dat                          | 280 ++++++++---------
 .../random_ray_k_eff/results_true.dat         | 282 +++++++++---------
 .../random_ray_k_eff_mesh/results_true.dat    | 280 ++++++++---------
 .../random_ray_linear/linear/results_true.dat | 280 ++++++++---------
 .../linear_xy/results_true.dat                | 280 ++++++++---------
 16 files changed, 874 insertions(+), 835 deletions(-)

diff --git a/include/openmc/random_ray/flat_source_domain.h b/include/openmc/random_ray/flat_source_domain.h
index d4e802734..4df4e5d8d 100644
--- a/include/openmc/random_ray/flat_source_domain.h
+++ b/include/openmc/random_ray/flat_source_domain.h
@@ -170,6 +170,9 @@ protected:
     simulation_volume_; // Total physical volume of the simulation domain, as
                         // defined by the 3D box of the random ray source
 
+  double
+    fission_rate_; // The system's fission rate (per cm^3), in eigenvalue mode
+
   // Volumes for each tally and bin/score combination. This intermediate data
   // structure is used when tallying quantities that must be normalized by
   // volume (i.e., flux). The vector is index by tally index, while the inner 2D
diff --git a/src/eigenvalue.cpp b/src/eigenvalue.cpp
index a2120a006..8412cbd3b 100644
--- a/src/eigenvalue.cpp
+++ b/src/eigenvalue.cpp
@@ -403,6 +403,16 @@ void calculate_average_keff()
         t_value *
         std::sqrt(
           (simulation::k_sum[1] / n - std::pow(simulation::keff, 2)) / (n - 1));
+
+      // In some cases (such as an infinite medium problem), random ray
+      // may estimate k exactly and in an unvarying manner between iterations.
+      // In this case, the floating point roundoff between the division and the
+      // power operations may cause an extremely small negative value to occur
+      // inside the sqrt operation, leading to NaN. If this occurs, we check for
+      // it and set the std dev to zero.
+      if (!std::isfinite(simulation::keff_std)) {
+        simulation::keff_std = 0.0;
+      }
     }
   }
 }
diff --git a/src/random_ray/flat_source_domain.cpp b/src/random_ray/flat_source_domain.cpp
index 1bf27e1ed..ec14795dd 100644
--- a/src/random_ray/flat_source_domain.cpp
+++ b/src/random_ray/flat_source_domain.cpp
@@ -124,7 +124,9 @@ void FlatSourceDomain::update_single_neutron_source(SourceRegionHandle& srh)
         double chi = chi_[material * negroups_ + g_out];
 
         scatter_source += sigma_s * scalar_flux;
-        fission_source += nu_sigma_f * scalar_flux * chi;
+        if (settings::create_fission_neutrons) {
+          fission_source += nu_sigma_f * scalar_flux * chi;
+        }
       }
       srh.source(g_out) =
         (scatter_source + fission_source * inverse_k_eff) / sigma_t;
@@ -369,6 +371,7 @@ void FlatSourceDomain::compute_k_eff()
   // Adds entropy value to shared entropy vector in openmc namespace.
   simulation::entropy.push_back(H);
 
+  fission_rate_ = fission_rate_new;
   k_eff_ = k_eff_new;
 }
 
@@ -519,12 +522,33 @@ void FlatSourceDomain::reset_tally_volumes()
 // simulation
 double FlatSourceDomain::compute_fixed_source_normalization_factor() const
 {
-  // If we are not in fixed source mode, then there are no external sources
-  // so no normalization is needed.
-  if (settings::run_mode != RunMode::FIXED_SOURCE || adjoint_) {
+  // Eigenvalue mode normalization
+  if (settings::run_mode == RunMode::EIGENVALUE) {
+    // Normalize fluxes by total number of fission neutrons produced. This
+    // ensures consistent scaling of the eigenvector such that its magnitude is
+    // comparable to the eigenvector produced by the Monte Carlo solver.
+    // Multiplying by the eigenvalue is unintuitive, but it is necessary.
+    // If the eigenvalue is 1.2, per starting source neutron, you will
+    // generate 1.2 neutrons. Thus if we normalize to generating only ONE
+    // neutron in total for the whole domain, then we don't actually have enough
+    // flux to generate the required 1.2 neutrons. We only know the flux
+    // required to generate 1 neutron (which would have required less than one
+    // starting neutron). Thus, you have to scale the flux up by the eigenvalue
+    // such that 1.2 neutrons are generated, so as to be consistent with the
+    // bookkeeping in MC which is all done per starting source neutron (not per
+    // neutron produced).
+    return k_eff_ / (fission_rate_ * simulation_volume_);
+  }
+
+  // If we are in adjoint mode of a fixed source problem, the external
+  // source is already normalized, such that all resulting fluxes are
+  // also normalized.
+  if (adjoint_) {
     return 1.0;
   }
 
+  // Fixed source mode normalization
+
   // Step 1 is to sum over all source regions and energy groups to get the
   // total external source strength in the simulation.
   double simulation_external_source_strength = 0.0;
diff --git a/src/random_ray/linear_source_domain.cpp b/src/random_ray/linear_source_domain.cpp
index e1ad68e3d..47ffbb727 100644
--- a/src/random_ray/linear_source_domain.cpp
+++ b/src/random_ray/linear_source_domain.cpp
@@ -68,9 +68,11 @@ void LinearSourceDomain::update_single_neutron_source(SourceRegionHandle& srh)
 
         // Compute source terms for flat and linear components of the flux
         scatter_flat += sigma_s * flux_flat;
-        fission_flat += nu_sigma_f * flux_flat * chi;
         scatter_linear += sigma_s * flux_linear;
-        fission_linear += nu_sigma_f * flux_linear * chi;
+        if (settings::create_fission_neutrons) {
+          fission_flat += nu_sigma_f * flux_flat * chi;
+          fission_linear += nu_sigma_f * flux_linear * chi;
+        }
       }
 
       // Compute the flat source term
diff --git a/tests/regression_tests/random_ray_adjoint_k_eff/results_true.dat b/tests/regression_tests/random_ray_adjoint_k_eff/results_true.dat
index 657c841b5..dfef53cd2 100644
--- a/tests/regression_tests/random_ray_adjoint_k_eff/results_true.dat
+++ b/tests/regression_tests/random_ray_adjoint_k_eff/results_true.dat
@@ -1,171 +1,171 @@
 k-combined:
 1.006640E+00 1.812969E-03
 tally 1:
-6.684129E+00
-8.939821E+00
-2.685967E+00
-1.443592E+00
+1.208044E+00
+2.920182E-01
+4.854426E-01
+4.715453E-02
 0.000000E+00
 0.000000E+00
-6.358774E+00
-8.091444E+00
-9.687217E-01
-1.878029E-01
+1.149242E+00
+2.643067E-01
+1.750801E-01
+6.134563E-03
 0.000000E+00
 0.000000E+00
-5.963160E+00
-7.117108E+00
-1.932332E-01
-7.473914E-03
+1.077743E+00
+2.324814E-01
+3.492371E-02
+2.441363E-04
 0.000000E+00
 0.000000E+00
-5.137593E+00
-5.283310E+00
-1.714616E-01
-5.884834E-03
-1.086218E-06
-2.361752E-13
-4.857253E+00
-4.719856E+00
-5.689580E-02
-6.476286E-04
-2.989356E-03
-1.787808E-06
-4.830516E+00
-4.666801E+00
-7.203015E-03
-1.037676E-05
-3.620020E+00
-2.620927E+00
-5.161382E+00
-5.328124E+00
-6.786255E-02
-9.210763E-04
-5.531943E+00
-6.120553E+00
-5.414034E+00
-5.864661E+00
+9.285362E-01
+1.725808E-01
+3.098889E-02
+1.922297E-04
+1.963161E-07
+7.714727E-15
+8.778641E-01
+1.541719E-01
+1.028293E-02
+2.115448E-05
+5.402741E-04
+5.839789E-08
+8.730274E-01
+1.524358E-01
+1.301813E-03
+3.389450E-07
+6.542525E-01
+8.560964E-02
+9.328247E-01
+1.740366E-01
+1.226491E-02
+3.008584E-05
+9.997969E-01
+1.999204E-01
+9.784958E-01
+1.915688E-01
 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-5.632338E+00
-6.347626E+00
+1.017952E+00
+2.073461E-01
 0.000000E+00
 0.000000E+00
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diff --git a/tests/regression_tests/random_ray_auto_convert/infinite_medium/results_true.dat b/tests/regression_tests/random_ray_auto_convert/infinite_medium/results_true.dat
index c7584ab64..ee396fa74 100644
--- a/tests/regression_tests/random_ray_auto_convert/infinite_medium/results_true.dat
+++ b/tests/regression_tests/random_ray_auto_convert/infinite_medium/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-7.797820E-01 1.054725E-02
+7.797252E-01 1.055731E-02
diff --git a/tests/regression_tests/random_ray_auto_convert/material_wise/results_true.dat b/tests/regression_tests/random_ray_auto_convert/material_wise/results_true.dat
index d544a27df..3bade01e0 100644
--- a/tests/regression_tests/random_ray_auto_convert/material_wise/results_true.dat
+++ b/tests/regression_tests/random_ray_auto_convert/material_wise/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-7.356667E-01 6.637270E-03
+7.372542E-01 6.967831E-03
diff --git a/tests/regression_tests/random_ray_auto_convert/stochastic_slab/results_true.dat b/tests/regression_tests/random_ray_auto_convert/stochastic_slab/results_true.dat
index 75a10a224..86e08a710 100644
--- a/tests/regression_tests/random_ray_auto_convert/stochastic_slab/results_true.dat
+++ b/tests/regression_tests/random_ray_auto_convert/stochastic_slab/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-7.551716E-01 8.117378E-03
+7.496641E-01 8.282032E-03
diff --git a/tests/regression_tests/random_ray_auto_convert/test.py b/tests/regression_tests/random_ray_auto_convert/test.py
index fa7f2f17f..99a931dce 100644
--- a/tests/regression_tests/random_ray_auto_convert/test.py
+++ b/tests/regression_tests/random_ray_auto_convert/test.py
@@ -27,7 +27,7 @@ def test_random_ray_auto_convert(method):
 
         # Convert to a multi-group model
         model.convert_to_multigroup(
-            method=method, groups='CASMO-2', nparticles=30,
+            method=method, groups='CASMO-2', nparticles=100,
             overwrite_mgxs_library=False, mgxs_path="mgxs.h5"
         )
 
diff --git a/tests/regression_tests/random_ray_diagonal_stabilization/results_true.dat b/tests/regression_tests/random_ray_diagonal_stabilization/results_true.dat
index f27ad46b4..034d7f7c6 100644
--- a/tests/regression_tests/random_ray_diagonal_stabilization/results_true.dat
+++ b/tests/regression_tests/random_ray_diagonal_stabilization/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-7.201808E-01 1.506596E-02
+7.134473E-01 1.422763E-02
diff --git a/tests/regression_tests/random_ray_diagonal_stabilization/test.py b/tests/regression_tests/random_ray_diagonal_stabilization/test.py
index c7a1c9f7c..8d36e1d25 100644
--- a/tests/regression_tests/random_ray_diagonal_stabilization/test.py
+++ b/tests/regression_tests/random_ray_diagonal_stabilization/test.py
@@ -23,7 +23,7 @@ def test_random_ray_diagonal_stabilization():
     # MGXS data with some negatives on the diagonal, in order
     # to trigger diagonal correction.
     model.convert_to_multigroup(
-        method='material_wise', groups='CASMO-70', nparticles=30,
+        method='material_wise', groups='CASMO-70', nparticles=13,
         overwrite_mgxs_library=True, mgxs_path="mgxs.h5", correction='P0'
     )
 
diff --git a/tests/regression_tests/random_ray_halton_samples/results_true.dat b/tests/regression_tests/random_ray_halton_samples/results_true.dat
index b62398935..256f8a744 100644
--- a/tests/regression_tests/random_ray_halton_samples/results_true.dat
+++ b/tests/regression_tests/random_ray_halton_samples/results_true.dat
@@ -1,171 +1,171 @@
 k-combined:
 8.388051E-01 7.383265E-03
 tally 1:
-5.033308E+00
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diff --git a/tests/regression_tests/random_ray_k_eff/results_true.dat b/tests/regression_tests/random_ray_k_eff/results_true.dat
index 37eca77f3..ace18df8c 100644
--- a/tests/regression_tests/random_ray_k_eff/results_true.dat
+++ b/tests/regression_tests/random_ray_k_eff/results_true.dat
@@ -1,171 +1,171 @@
 k-combined:
-8.400321E-01 8.023358E-03
+8.400321E-01 8.023357E-03
 tally 1:
-5.086559E+00
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diff --git a/tests/regression_tests/random_ray_k_eff_mesh/results_true.dat b/tests/regression_tests/random_ray_k_eff_mesh/results_true.dat
index 83209044b..2ae8fad85 100644
--- a/tests/regression_tests/random_ray_k_eff_mesh/results_true.dat
+++ b/tests/regression_tests/random_ray_k_eff_mesh/results_true.dat
@@ -1,171 +1,171 @@
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diff --git a/tests/regression_tests/random_ray_linear/linear/results_true.dat b/tests/regression_tests/random_ray_linear/linear/results_true.dat
index 4c0e14370..77d41f373 100644
--- a/tests/regression_tests/random_ray_linear/linear/results_true.dat
+++ b/tests/regression_tests/random_ray_linear/linear/results_true.dat
@@ -1,171 +1,171 @@
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+7.388780E-01
+5.741437E-01
+1.651648E-02
+1.397351E+00
+9.783345E-02
+2.890296E+00
+4.178220E-01
+9.447974E-02
+4.464346E-04
+2.299448E-01
+2.644403E-03
+3.695989E+00
+6.831063E-01
+1.240303E-01
+7.692555E-04
+3.018649E-01
+4.556594E-03
+9.622545E+00
+4.630042E+00
+1.140770E-01
+6.507108E-04
+2.776440E-01
+3.854503E-03
+2.115266E+01
+2.237450E+01
+3.276343E-02
+5.368742E-05
+8.107083E-02
+3.287176E-04
+1.136109E+01
+6.456700E+00
+1.576636E-01
+1.245524E-03
+4.385334E-01
+9.635950E-03
diff --git a/tests/regression_tests/random_ray_linear/linear_xy/results_true.dat b/tests/regression_tests/random_ray_linear/linear_xy/results_true.dat
index abfd03c06..052608b42 100644
--- a/tests/regression_tests/random_ray_linear/linear_xy/results_true.dat
+++ b/tests/regression_tests/random_ray_linear/linear_xy/results_true.dat
@@ -1,171 +1,171 @@
 k-combined:
 1.104727E+00 1.593303E-02
 tally 1:
-2.566934E+01
-3.317503E+01
-9.417202E+00
-4.465518E+00
-2.291958E+01
-2.645097E+01
-1.823903E+01
-1.667438E+01
-2.679931E+00
-3.600420E-01
-6.522415E+00
-2.132667E+00
-1.365623E+01
-9.327448E+00
-4.370682E-01
-9.554968E-03
-1.063736E+00
-5.659772E-02
-1.750634E+01
-1.532609E+01
-5.762870E-01
-1.660889E-02
-1.402567E+00
-9.838082E-02
-4.543609E+01
-1.032286E+02
-5.271287E-01
-1.389456E-02
-1.282941E+00
-8.230483E-02
-9.881678E+01
-4.882586E+02
-1.487616E-01
-1.106634E-03
-3.681003E-01
-6.775702E-03
-5.260781E+01
-1.384126E+02
-7.018594E-01
-2.464953E-02
-1.952187E+00
-1.907001E-01
-4.184779E+01
-8.826530E+01
+5.465547E+00
+1.504031E+00
+2.005120E+00
+2.024490E-01
+4.880060E+00
+1.199182E+00
+3.883466E+00
+7.559482E-01
+5.706123E-01
+1.632280E-02
+1.388756E+00
+9.668619E-02
+2.907681E+00
+4.228621E-01
+9.306046E-02
+4.331768E-04
+2.264905E-01
+2.565871E-03
+3.727441E+00
+6.948089E-01
+1.227027E-01
+7.529631E-04
+2.986338E-01
+4.460088E-03
+9.674219E+00
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+2.103996E+01
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+1.120119E+01
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+1.117486E-03
+4.156586E-01
+8.645390E-03
+8.910289E+00
+4.001626E+00
 0.000000E+00
 0.000000E+00
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 0.000000E+00
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 0.000000E+00
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-1.441107E+01
-1.038682E+01
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+4.708885E-01
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 0.000000E+00
 0.000000E+00
-1.909194E+01
-1.822767E+01
+4.065045E+00
+8.263510E-01
 0.000000E+00
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 0.000000E+00
 0.000000E+00
-4.579319E+01
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+9.750251E+00
+4.753623E+00
 0.000000E+00
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-8.833276E+01
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+1.880773E+01
+1.768690E+01
 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-4.528911E+01
-1.025740E+02
+9.642921E+00
+4.650165E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
 0.000000E+00
-2.218278E+01
-2.477434E+01
-8.203467E+00
-3.389915E+00
-1.996560E+01
-2.007976E+01
-1.714818E+01
-1.473927E+01
-2.551034E+00
-3.262450E-01
-6.208707E+00
-1.932474E+00
-1.343470E+01
-9.027502E+00
-4.363259E-01
-9.522121E-03
-1.061930E+00
-5.640315E-02
-1.717034E+01
-1.474381E+01
-5.729720E-01
-1.641841E-02
-1.394499E+00
-9.725251E-02
-4.542715E+01
-1.031896E+02
-5.348128E-01
-1.430232E-02
-1.301643E+00
-8.472019E-02
-1.009076E+02
-5.091264E+02
-1.543547E-01
-1.191320E-03
-3.819398E-01
-7.294216E-03
-5.342751E+01
-1.427427E+02
-7.255554E-01
-2.633014E-02
-2.018096E+00
-2.037021E-01
-2.540053E+01
-3.247261E+01
-9.483956E+00
-4.526477E+00
-2.308205E+01
-2.681205E+01
-1.812760E+01
-1.646855E+01
-2.717374E+00
-3.700301E-01
-6.613545E+00
-2.191830E+00
-1.362672E+01
-9.286907E+00
-4.458292E-01
-9.940508E-03
-1.085059E+00
-5.888142E-02
-1.744511E+01
-1.521876E+01
-5.866632E-01
-1.721091E-02
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-1.019468E-01
-4.538426E+01
-1.029941E+02
-5.385934E-01
-1.450495E-02
-1.310845E+00
-8.592045E-02
-9.921424E+01
-4.921945E+02
-1.532444E-01
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-3.791926E-01
-7.189835E-03
-5.301633E+01
-1.405571E+02
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-2.655093E-02
-2.026493E+00
-2.054102E-01
+4.723189E+00
+1.123179E+00
+1.746692E+00
+1.536860E-01
+4.251098E+00
+9.103405E-01
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+5.431675E-01
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+1.321961E+00
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+2.860513E+00
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+2.261058E-01
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+3.655900E+00
+6.684112E-01
+1.219969E-01
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+4.408937E-03
+9.672316E+00
+4.678082E+00
+1.138719E-01
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+2.771448E-01
+3.840766E-03
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+8.132216E-02
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+1.137571E+01
+6.471140E+00
+1.544841E-01
+1.193653E-03
+4.296897E-01
+9.234647E-03
+5.408307E+00
+1.472183E+00
+2.019332E+00
+2.052123E-01
+4.914651E+00
+1.215551E+00
+3.859737E+00
+7.466141E-01
+5.785840E-01
+1.677554E-02
+1.408158E+00
+9.936796E-02
+2.901397E+00
+4.210234E-01
+9.492573E-02
+4.506531E-04
+2.310302E-01
+2.669390E-03
+3.714401E+00
+6.899411E-01
+1.249118E-01
+7.802521E-04
+3.040104E-01
+4.621732E-03
+9.663183E+00
+4.669215E+00
+1.146768E-01
+6.575767E-04
+2.791038E-01
+3.895173E-03
+2.112461E+01
+2.231346E+01
+3.262864E-02
+5.323508E-05
+8.073730E-02
+3.259479E-04
+1.128817E+01
+6.372070E+00
+1.551272E-01
+1.203670E-03
+4.314785E-01
+9.312148E-03

From ad5a876bee9f3e3b96ddc28867fdec0028cb7587 Mon Sep 17 00:00:00 2001
From: John Tramm <john.tramm@gmail.com>
Date: Wed, 3 Dec 2025 01:48:38 -0600
Subject: [PATCH 2446/2654] Improved automatic MGXS generation for random ray
 (#3658)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 docs/source/usersguide/random_ray.rst         |  28 ++-
 openmc/model/model.py                         | 186 +++++++++++++++---
 .../infinite_medium/results_true.dat          |   2 +-
 .../stochastic_slab/results_true.dat          |   2 +-
 .../__init__.py                               |   0
 .../infinite_medium/model/inputs_true.dat     |  61 ++++++
 .../infinite_medium/model/results_true.dat    |   2 +
 .../infinite_medium/user/inputs_true.dat      |  64 ++++++
 .../infinite_medium/user/results_true.dat     |   2 +
 .../stochastic_slab/model/inputs_true.dat     |  61 ++++++
 .../stochastic_slab/model/results_true.dat    |   2 +
 .../stochastic_slab/user/inputs_true.dat      |  64 ++++++
 .../stochastic_slab/user/results_true.dat     |   2 +
 .../test.py                                   |  66 +++++++
 14 files changed, 511 insertions(+), 31 deletions(-)
 create mode 100644 tests/regression_tests/random_ray_auto_convert_source_energy/__init__.py
 create mode 100644 tests/regression_tests/random_ray_auto_convert_source_energy/infinite_medium/model/inputs_true.dat
 create mode 100644 tests/regression_tests/random_ray_auto_convert_source_energy/infinite_medium/model/results_true.dat
 create mode 100644 tests/regression_tests/random_ray_auto_convert_source_energy/infinite_medium/user/inputs_true.dat
 create mode 100644 tests/regression_tests/random_ray_auto_convert_source_energy/infinite_medium/user/results_true.dat
 create mode 100644 tests/regression_tests/random_ray_auto_convert_source_energy/stochastic_slab/model/inputs_true.dat
 create mode 100644 tests/regression_tests/random_ray_auto_convert_source_energy/stochastic_slab/model/results_true.dat
 create mode 100644 tests/regression_tests/random_ray_auto_convert_source_energy/stochastic_slab/user/inputs_true.dat
 create mode 100644 tests/regression_tests/random_ray_auto_convert_source_energy/stochastic_slab/user/results_true.dat
 create mode 100644 tests/regression_tests/random_ray_auto_convert_source_energy/test.py

diff --git a/docs/source/usersguide/random_ray.rst b/docs/source/usersguide/random_ray.rst
index d5d752a83..881498a0a 100644
--- a/docs/source/usersguide/random_ray.rst
+++ b/docs/source/usersguide/random_ray.rst
@@ -644,7 +644,8 @@ model to use these multigroup cross sections. An example is given below::
       nparticles=2000,
       overwrite_mgxs_library=False,
       mgxs_path="mgxs.h5",
-      correction=None
+      correction=None,
+      source_energy=None
   )
 
 The most important parameter to set is the ``method`` parameter, which can be
@@ -706,6 +707,31 @@ generation and use an existing library file.
     with a :math:`\rho` default value of 1.0, which can be adjusted with the
     ``settings.random_ray['diagonal_stabilization_rho']`` parameter.
 
+When generating MGXS data with either the ``stochastic_slab`` or
+``infinite_medium`` methods, by default the simulation will use a uniform source
+distribution spread evenly over all energy groups. This ensures that all energy
+groups receive tallies and therefore produce non-zero total multigroup cross
+sections. Additionally, the function will convert any sources in the model into
+simplified spatial sources that retain the original energy distributions.  If
+sources are present, they will be used 99% of the time to sample source energies
+during MGXS generation. The other 1% of the time, energies will be sampled
+uniformly over all energy groups to ensure that all groups receive some tallies.
+However, the user may wish to specify a different source energy spectrum (for
+instance, if they are using a FileSource, such that the energy distribution
+cannot be extracted from the python source object). This can be done by
+providing a :class:`openmc.stats.Univariate` distribution as the
+``source_energy`` parameter of the :meth:`openmc.Model.convert_to_multigroup`
+method. If provided, it will override any sources present in the model and will
+be used 99% of the time to sample source energies during MGXS generation. The
+other 1% of the time, energies will be sampled uniformly over all energy groups
+to ensure that all groups receive some tallies.
+
+For instance, a D-D fusion simulation may involve a complex file source. In this
+case, the user may wish to provide a discrete 2.45 MeV energy source
+distribution for MGXS generation as::
+
+  source_energy = openmc.stats.delta_function(2.45e6)
+
 Ultimately, the methods described above are all just approximations.
 Approximations in the generated MGXS data will fundamentally limit the potential
 accuracy of the random ray solver. However, the methods described above are all
diff --git a/openmc/model/model.py b/openmc/model/model.py
index 48ae9f0b9..299724759 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -1687,6 +1687,91 @@ class Model:
                 self.geometry.get_all_materials().values()
             )
 
+    def _create_mgxs_sources(
+        self,
+        groups: openmc.mgxs.EnergyGroups,
+        spatial_dist: openmc.stats.Spatial,
+        source_energy: openmc.stats.Univariate | None = None,
+    ) -> list[openmc.IndependentSource]:
+        """Create a list of independent sources to use with MGXS generation.
+
+        Note that in all cases, a discrete source that is uniform over all
+        energy groups is created (strength = 0.01) to ensure that total cross
+        sections are generated for all energy groups. In the case that the user
+        has provided a source_energy distribution as an argument, an additional
+        source (strength = 0.99) is created using that energy distribution. If
+        the user has not provided a source_energy distribution, but the model
+        has sources defined, and all of those sources are of IndependentSource
+        type, then additional sources are created based on the model's existing
+        sources, keeping their energy distributions but replacing their
+        spatial/angular distributions, with their combined strength being 0.99.
+        If the user has not provided a source_energy distribution and no sources
+        are defined on the model and the run mode is 'eigenvalue', then a
+        default Watt spectrum source (strength = 0.99) is added.
+
+        Parameters
+        ----------
+        groups : openmc.mgxs.EnergyGroups
+            Energy group structure for the MGXS.
+        spatial_dist : openmc.stats.Spatial
+            Spatial distribution to use for all sources.
+        source_energy : openmc.stats.Univariate, optional
+            Energy distribution to use when generating MGXS data, replacing any
+            existing sources in the model.
+
+        Returns
+        -------
+        list[openmc.IndependentSource]
+            A list of independent sources to use for MGXS generation.
+        """
+        # Make a discrete source that is uniform over the bins of the group structure
+        midpoints = []
+        strengths = []
+        for i in range(groups.num_groups):
+            bounds = groups.get_group_bounds(i+1)
+            midpoints.append((bounds[0] + bounds[1]) / 2.0)
+            strengths.append(1.0)
+
+        uniform_energy = openmc.stats.Discrete(x=midpoints, p=strengths)
+        uniform_distribution = openmc.IndependentSource(spatial_dist, energy=uniform_energy, strength=0.01)
+        sources = [uniform_distribution]
+
+        # If the user provided an energy distribution, use that
+        if source_energy is not None:
+            user_energy = openmc.IndependentSource(
+                space=spatial_dist, energy=source_energy, strength=0.99)
+            sources.append(user_energy)
+
+        # If the user did not provide an energy distribution, create sources
+        # based on what is in their model, keeping the energy spectrum but
+        # replacing the spatial/angular distributions. We only do this if ALL
+        # sources are of IndependentSource type, as we can't pull the energy
+        # distribution from e.g. CompiledSource or FileSource types.
+        else:
+            if self.settings.source is not None:
+                for src in self.settings.source:
+                    if not isinstance(src, openmc.IndependentSource):
+                        break
+                else:
+                    n_user_sources = len(self.settings.source)
+                    for src in self.settings.source:
+                        # Create a new IndependentSource with adjusted strength, space, and angle
+                        user_source = openmc.IndependentSource(
+                            space=spatial_dist,
+                            energy=src.energy,
+                            strength=0.99 / n_user_sources
+                        )
+                        sources.append(user_source)
+            else:
+                # No user sources defined. If we are in eigenvalue mode, then use the default Watt spectrum.
+                if self.settings.run_mode == 'eigenvalue':
+                    watt_energy = openmc.stats.Watt()
+                    watt_source = openmc.IndependentSource(
+                        space=spatial_dist, energy=watt_energy, strength=0.99)
+                    sources.append(watt_source)
+
+        return sources
+
     def _generate_infinite_medium_mgxs(
         self,
         groups: openmc.mgxs.EnergyGroups,
@@ -1694,6 +1779,7 @@ class Model:
         mgxs_path: PathLike,
         correction: str | None,
         directory: PathLike,
+        source_energy: openmc.stats.Univariate | None = None,
     ):
         """Generate a MGXS library by running multiple OpenMC simulations, each
         representing an infinite medium simulation of a single isolated
@@ -1702,6 +1788,20 @@ class Model:
         method that ignores all spatial self shielding effects and all resonance
         shielding effects between materials.
 
+        Note that in all cases, a discrete source that is uniform over all
+        energy groups is created (strength = 0.01) to ensure that total cross
+        sections are generated for all energy groups. In the case that the user
+        has provided a source_energy distribution as an argument, an additional
+        source (strength = 0.99) is created using that energy distribution. If
+        the user has not provided a source_energy distribution, but the model
+        has sources defined, and all of those sources are of IndependentSource
+        type, then additional sources are created based on the model's existing
+        sources, keeping their energy distributions but replacing their
+        spatial/angular distributions, with their combined strength being 0.99.
+        If the user has not provided a source_energy distribution and no sources
+        are defined on the model and the run mode is 'eigenvalue', then a
+        default Watt spectrum source (strength = 0.99) is added.
+
         Parameters
         ----------
         groups : openmc.mgxs.EnergyGroups
@@ -1715,9 +1815,10 @@ class Model:
             "P0".
         directory : str
             Directory to run the simulation in, so as to contain XML files.
+        source_energy : openmc.stats.Univariate, optional
+            Energy distribution to use when generating MGXS data, replacing any
+            existing sources in the model.
         """
-        warnings.warn("The infinite medium method of generating MGXS may hang "
-                      "if a material has a k-infinity > 1.0.")
         mgxs_sets = []
         for material in self.materials:
             model = openmc.Model()
@@ -1728,20 +1829,16 @@ class Model:
             # Settings
             model.settings.batches = 100
             model.settings.particles = nparticles
+
+            model.settings.source = self._create_mgxs_sources(
+                groups,
+                spatial_dist=openmc.stats.Point(),
+                source_energy=source_energy
+            )
+
             model.settings.run_mode = 'fixed source'
+            model.settings.create_fission_neutrons = False
 
-            # Make a discrete source that is uniform over the bins of the group structure
-            n_groups = groups.num_groups
-            midpoints = []
-            strengths = []
-            for i in range(n_groups):
-                bounds = groups.get_group_bounds(i+1)
-                midpoints.append((bounds[0] + bounds[1]) / 2.0)
-                strengths.append(1.0)
-
-            energy_distribution = openmc.stats.Discrete(x=midpoints, p=strengths)
-            model.settings.source = openmc.IndependentSource(
-                space=openmc.stats.Point(), energy=energy_distribution)
             model.settings.output = {'summary': True, 'tallies': False}
 
             # Geometry
@@ -1891,6 +1988,7 @@ class Model:
         mgxs_path: PathLike,
         correction: str | None,
         directory: PathLike,
+        source_energy: openmc.stats.Univariate | None = None,
     ) -> None:
         """Generate MGXS assuming a stochastic "sandwich" of materials in a layered
         slab geometry. While geometry-specific spatial shielding effects are not
@@ -1915,6 +2013,23 @@ class Model:
             "P0".
         directory : str
             Directory to run the simulation in, so as to contain XML files.
+        source_energy : openmc.stats.Univariate, optional
+            Energy distribution to use when generating MGXS data, replacing any
+            existing sources in the model. In all cases, a discrete source that
+            is uniform over all energy groups is created (strength = 0.01) to
+            ensure that total cross sections are generated for all energy
+            groups. In the case that the user has provided a source_energy
+            distribution as an argument, an additional source (strength = 0.99)
+            is created using that energy distribution. If the user has not
+            provided a source_energy distribution, but the model has sources
+            defined, and all of those sources are of IndependentSource type,
+            then additional sources are created based on the model's existing
+            sources, keeping their energy distributions but replacing their
+            spatial/angular distributions, with their combined strength being
+            0.99. If the user has not provided a source_energy distribution and
+            no sources are defined on the model and the run mode is
+            'eigenvalue', then a default Watt spectrum source (strength = 0.99)
+            is added.
         """
         model = openmc.Model()
         model.materials = self.materials
@@ -1924,24 +2039,20 @@ class Model:
         model.settings.inactive = 100
         model.settings.particles = nparticles
         model.settings.output = {'summary': True, 'tallies': False}
-        model.settings.run_mode = self.settings.run_mode
 
         # Stochastic slab geometry
         model.geometry, spatial_distribution = Model._create_stochastic_slab_geometry(
             model.materials)
 
-        # Make a discrete source that is uniform over the bins of the group structure
-        n_groups = groups.num_groups
-        midpoints = []
-        strengths = []
-        for i in range(n_groups):
-            bounds = groups.get_group_bounds(i+1)
-            midpoints.append((bounds[0] + bounds[1]) / 2.0)
-            strengths.append(1.0)
+        # Define the sources
+        model.settings.source = self._create_mgxs_sources(
+            groups,
+            spatial_dist=spatial_distribution,
+            source_energy=source_energy
+        )
 
-        energy_distribution = openmc.stats.Discrete(x=midpoints, p=strengths)
-        model.settings.source = [openmc.IndependentSource(
-            space=spatial_distribution, energy=energy_distribution, strength=1.0)]
+        model.settings.run_mode = 'fixed source'
+        model.settings.create_fission_neutrons = False
 
         model.settings.output = {'summary': True, 'tallies': False}
 
@@ -2099,6 +2210,7 @@ class Model:
         overwrite_mgxs_library: bool = False,
         mgxs_path: PathLike = "mgxs.h5",
         correction: str | None = None,
+        source_energy: openmc.stats.Univariate | None = None,
     ):
         """Convert all materials from continuous energy to multigroup.
 
@@ -2121,6 +2233,24 @@ class Model:
         correction : str, optional
             Transport correction to apply to the MGXS. Options are None and
             "P0".
+        source_energy : openmc.stats.Univariate, optional
+            Energy distribution to use when generating MGXS data, replacing any
+            existing sources in the model. In all cases, a discrete source that
+            is uniform over all energy groups is created (strength = 0.01) to
+            ensure that total cross sections are generated for all energy
+            groups. In the case that the user has provided a source_energy
+            distribution as an argument, an additional source (strength = 0.99)
+            is created using that energy distribution. If the user has not
+            provided a source_energy distribution, but the model has sources
+            defined, and all of those sources are of IndependentSource type,
+            then additional sources are created based on the model's existing
+            sources, keeping their energy distributions but replacing their
+            spatial/angular distributions, with their combined strength being
+            0.99. If the user has not provided a source_energy distribution and
+            no sources are defined on the model and the run mode is
+            'eigenvalue', then a default Watt spectrum source (strength = 0.99)
+            is added. Note that this argument is only used when using the
+            "stochastic_slab" or "infinite_medium" MGXS generation methods.
         """
         if isinstance(groups, str):
             groups = openmc.mgxs.EnergyGroups(groups)
@@ -2150,13 +2280,13 @@ class Model:
             if not Path(mgxs_path).is_file() or overwrite_mgxs_library:
                 if method == "infinite_medium":
                     self._generate_infinite_medium_mgxs(
-                        groups, nparticles, mgxs_path, correction, tmpdir)
+                        groups, nparticles, mgxs_path, correction, tmpdir, source_energy)
                 elif method == "material_wise":
                     self._generate_material_wise_mgxs(
                         groups, nparticles, mgxs_path, correction, tmpdir)
                 elif method == "stochastic_slab":
                     self._generate_stochastic_slab_mgxs(
-                        groups, nparticles, mgxs_path, correction, tmpdir)
+                        groups, nparticles, mgxs_path, correction, tmpdir, source_energy)
                 else:
                     raise ValueError(
                         f'MGXS generation method "{method}" not recognized')
diff --git a/tests/regression_tests/random_ray_auto_convert/infinite_medium/results_true.dat b/tests/regression_tests/random_ray_auto_convert/infinite_medium/results_true.dat
index ee396fa74..f984f3718 100644
--- a/tests/regression_tests/random_ray_auto_convert/infinite_medium/results_true.dat
+++ b/tests/regression_tests/random_ray_auto_convert/infinite_medium/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-7.797252E-01 1.055731E-02
+7.479770E-01 1.624548E-02
diff --git a/tests/regression_tests/random_ray_auto_convert/stochastic_slab/results_true.dat b/tests/regression_tests/random_ray_auto_convert/stochastic_slab/results_true.dat
index 86e08a710..674dee4aa 100644
--- a/tests/regression_tests/random_ray_auto_convert/stochastic_slab/results_true.dat
+++ b/tests/regression_tests/random_ray_auto_convert/stochastic_slab/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-7.496641E-01 8.282032E-03
+6.413334E-01 2.083132E-02
diff --git a/tests/regression_tests/random_ray_auto_convert_source_energy/__init__.py b/tests/regression_tests/random_ray_auto_convert_source_energy/__init__.py
new file mode 100644
index 000000000..e69de29bb
diff --git a/tests/regression_tests/random_ray_auto_convert_source_energy/infinite_medium/model/inputs_true.dat b/tests/regression_tests/random_ray_auto_convert_source_energy/infinite_medium/model/inputs_true.dat
new file mode 100644
index 000000000..80a166c67
--- /dev/null
+++ b/tests/regression_tests/random_ray_auto_convert_source_energy/infinite_medium/model/inputs_true.dat
@@ -0,0 +1,61 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <cross_sections>mgxs.h5</cross_sections>
+    <material id="1" name="UO2__2_4__" depletable="true">
+      <density value="1.0" units="macro"/>
+      <macroscopic name="UO2__2_4__"/>
+    </material>
+    <material id="2" name="Zircaloy">
+      <density value="1.0" units="macro"/>
+      <macroscopic name="Zircaloy"/>
+    </material>
+    <material id="3" name="Hot_borated_water">
+      <density value="1.0" units="macro"/>
+      <macroscopic name="Hot_borated_water"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" name="Fuel" material="1" region="-1" universe="0"/>
+    <cell id="2" name="Cladding" material="2" region="1 -2" universe="0"/>
+    <cell id="3" name="Water" material="3" region="2 3 -4 5 -6" universe="0"/>
+    <surface id="1" name="Fuel OR" type="z-cylinder" coeffs="0 0 0.39218"/>
+    <surface id="2" name="Clad OR" type="z-cylinder" coeffs="0 0 0.4572"/>
+    <surface id="3" name="left" type="x-plane" boundary="reflective" coeffs="-0.63"/>
+    <surface id="4" name="right" type="x-plane" boundary="reflective" coeffs="0.63"/>
+    <surface id="5" name="bottom" type="y-plane" boundary="reflective" coeffs="-0.63"/>
+    <surface id="6" name="top" type="y-plane" boundary="reflective" coeffs="0.63"/>
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>10</batches>
+    <inactive>5</inactive>
+    <source type="independent" strength="1.0" particle="neutron">
+      <energy type="discrete">
+        <parameters>7000000.0 1.0</parameters>
+      </energy>
+    </source>
+    <energy_mode>multi-group</energy_mode>
+    <random_ray>
+      <source type="independent" strength="1.0" particle="neutron">
+        <space type="box">
+          <parameters>-0.63 -0.63 -1.0 0.63 0.63 1.0</parameters>
+        </space>
+      </source>
+      <distance_inactive>30.0</distance_inactive>
+      <distance_active>150.0</distance_active>
+      <source_region_meshes>
+        <mesh id="1">
+          <domain id="0" type="universe"/>
+        </mesh>
+      </source_region_meshes>
+      <source_shape>linear</source_shape>
+    </random_ray>
+    <mesh id="1">
+      <dimension>2 2</dimension>
+      <lower_left>-0.63 -0.63</lower_left>
+      <upper_right>0.63 0.63</upper_right>
+    </mesh>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/random_ray_auto_convert_source_energy/infinite_medium/model/results_true.dat b/tests/regression_tests/random_ray_auto_convert_source_energy/infinite_medium/model/results_true.dat
new file mode 100644
index 000000000..1fb09fd68
--- /dev/null
+++ b/tests/regression_tests/random_ray_auto_convert_source_energy/infinite_medium/model/results_true.dat
@@ -0,0 +1,2 @@
+k-combined:
+7.657815E-01 2.317564E-02
diff --git a/tests/regression_tests/random_ray_auto_convert_source_energy/infinite_medium/user/inputs_true.dat b/tests/regression_tests/random_ray_auto_convert_source_energy/infinite_medium/user/inputs_true.dat
new file mode 100644
index 000000000..464c89a5d
--- /dev/null
+++ b/tests/regression_tests/random_ray_auto_convert_source_energy/infinite_medium/user/inputs_true.dat
@@ -0,0 +1,64 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <cross_sections>mgxs.h5</cross_sections>
+    <material id="1" name="UO2__2_4__" depletable="true">
+      <density value="1.0" units="macro"/>
+      <macroscopic name="UO2__2_4__"/>
+    </material>
+    <material id="2" name="Zircaloy">
+      <density value="1.0" units="macro"/>
+      <macroscopic name="Zircaloy"/>
+    </material>
+    <material id="3" name="Hot_borated_water">
+      <density value="1.0" units="macro"/>
+      <macroscopic name="Hot_borated_water"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" name="Fuel" material="1" region="-1" universe="0"/>
+    <cell id="2" name="Cladding" material="2" region="1 -2" universe="0"/>
+    <cell id="3" name="Water" material="3" region="2 3 -4 5 -6" universe="0"/>
+    <surface id="1" name="Fuel OR" type="z-cylinder" coeffs="0 0 0.39218"/>
+    <surface id="2" name="Clad OR" type="z-cylinder" coeffs="0 0 0.4572"/>
+    <surface id="3" name="left" type="x-plane" boundary="reflective" coeffs="-0.63"/>
+    <surface id="4" name="right" type="x-plane" boundary="reflective" coeffs="0.63"/>
+    <surface id="5" name="bottom" type="y-plane" boundary="reflective" coeffs="-0.63"/>
+    <surface id="6" name="top" type="y-plane" boundary="reflective" coeffs="0.63"/>
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>10</batches>
+    <inactive>5</inactive>
+    <source type="independent" strength="1.0" particle="neutron">
+      <space type="box">
+        <parameters>-0.63 -0.63 -1 0.63 0.63 1</parameters>
+      </space>
+      <constraints>
+        <fissionable>true</fissionable>
+      </constraints>
+    </source>
+    <energy_mode>multi-group</energy_mode>
+    <random_ray>
+      <source type="independent" strength="1.0" particle="neutron">
+        <space type="box">
+          <parameters>-0.63 -0.63 -1.0 0.63 0.63 1.0</parameters>
+        </space>
+      </source>
+      <distance_inactive>30.0</distance_inactive>
+      <distance_active>150.0</distance_active>
+      <source_region_meshes>
+        <mesh id="1">
+          <domain id="0" type="universe"/>
+        </mesh>
+      </source_region_meshes>
+      <source_shape>linear</source_shape>
+    </random_ray>
+    <mesh id="1">
+      <dimension>2 2</dimension>
+      <lower_left>-0.63 -0.63</lower_left>
+      <upper_right>0.63 0.63</upper_right>
+    </mesh>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/random_ray_auto_convert_source_energy/infinite_medium/user/results_true.dat b/tests/regression_tests/random_ray_auto_convert_source_energy/infinite_medium/user/results_true.dat
new file mode 100644
index 000000000..073c5c99f
--- /dev/null
+++ b/tests/regression_tests/random_ray_auto_convert_source_energy/infinite_medium/user/results_true.dat
@@ -0,0 +1,2 @@
+k-combined:
+7.827784E-01 2.062954E-02
diff --git a/tests/regression_tests/random_ray_auto_convert_source_energy/stochastic_slab/model/inputs_true.dat b/tests/regression_tests/random_ray_auto_convert_source_energy/stochastic_slab/model/inputs_true.dat
new file mode 100644
index 000000000..80a166c67
--- /dev/null
+++ b/tests/regression_tests/random_ray_auto_convert_source_energy/stochastic_slab/model/inputs_true.dat
@@ -0,0 +1,61 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <cross_sections>mgxs.h5</cross_sections>
+    <material id="1" name="UO2__2_4__" depletable="true">
+      <density value="1.0" units="macro"/>
+      <macroscopic name="UO2__2_4__"/>
+    </material>
+    <material id="2" name="Zircaloy">
+      <density value="1.0" units="macro"/>
+      <macroscopic name="Zircaloy"/>
+    </material>
+    <material id="3" name="Hot_borated_water">
+      <density value="1.0" units="macro"/>
+      <macroscopic name="Hot_borated_water"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" name="Fuel" material="1" region="-1" universe="0"/>
+    <cell id="2" name="Cladding" material="2" region="1 -2" universe="0"/>
+    <cell id="3" name="Water" material="3" region="2 3 -4 5 -6" universe="0"/>
+    <surface id="1" name="Fuel OR" type="z-cylinder" coeffs="0 0 0.39218"/>
+    <surface id="2" name="Clad OR" type="z-cylinder" coeffs="0 0 0.4572"/>
+    <surface id="3" name="left" type="x-plane" boundary="reflective" coeffs="-0.63"/>
+    <surface id="4" name="right" type="x-plane" boundary="reflective" coeffs="0.63"/>
+    <surface id="5" name="bottom" type="y-plane" boundary="reflective" coeffs="-0.63"/>
+    <surface id="6" name="top" type="y-plane" boundary="reflective" coeffs="0.63"/>
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>10</batches>
+    <inactive>5</inactive>
+    <source type="independent" strength="1.0" particle="neutron">
+      <energy type="discrete">
+        <parameters>7000000.0 1.0</parameters>
+      </energy>
+    </source>
+    <energy_mode>multi-group</energy_mode>
+    <random_ray>
+      <source type="independent" strength="1.0" particle="neutron">
+        <space type="box">
+          <parameters>-0.63 -0.63 -1.0 0.63 0.63 1.0</parameters>
+        </space>
+      </source>
+      <distance_inactive>30.0</distance_inactive>
+      <distance_active>150.0</distance_active>
+      <source_region_meshes>
+        <mesh id="1">
+          <domain id="0" type="universe"/>
+        </mesh>
+      </source_region_meshes>
+      <source_shape>linear</source_shape>
+    </random_ray>
+    <mesh id="1">
+      <dimension>2 2</dimension>
+      <lower_left>-0.63 -0.63</lower_left>
+      <upper_right>0.63 0.63</upper_right>
+    </mesh>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/random_ray_auto_convert_source_energy/stochastic_slab/model/results_true.dat b/tests/regression_tests/random_ray_auto_convert_source_energy/stochastic_slab/model/results_true.dat
new file mode 100644
index 000000000..c5cdf8e29
--- /dev/null
+++ b/tests/regression_tests/random_ray_auto_convert_source_energy/stochastic_slab/model/results_true.dat
@@ -0,0 +1,2 @@
+k-combined:
+7.479571E-01 2.398563E-02
diff --git a/tests/regression_tests/random_ray_auto_convert_source_energy/stochastic_slab/user/inputs_true.dat b/tests/regression_tests/random_ray_auto_convert_source_energy/stochastic_slab/user/inputs_true.dat
new file mode 100644
index 000000000..464c89a5d
--- /dev/null
+++ b/tests/regression_tests/random_ray_auto_convert_source_energy/stochastic_slab/user/inputs_true.dat
@@ -0,0 +1,64 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <cross_sections>mgxs.h5</cross_sections>
+    <material id="1" name="UO2__2_4__" depletable="true">
+      <density value="1.0" units="macro"/>
+      <macroscopic name="UO2__2_4__"/>
+    </material>
+    <material id="2" name="Zircaloy">
+      <density value="1.0" units="macro"/>
+      <macroscopic name="Zircaloy"/>
+    </material>
+    <material id="3" name="Hot_borated_water">
+      <density value="1.0" units="macro"/>
+      <macroscopic name="Hot_borated_water"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" name="Fuel" material="1" region="-1" universe="0"/>
+    <cell id="2" name="Cladding" material="2" region="1 -2" universe="0"/>
+    <cell id="3" name="Water" material="3" region="2 3 -4 5 -6" universe="0"/>
+    <surface id="1" name="Fuel OR" type="z-cylinder" coeffs="0 0 0.39218"/>
+    <surface id="2" name="Clad OR" type="z-cylinder" coeffs="0 0 0.4572"/>
+    <surface id="3" name="left" type="x-plane" boundary="reflective" coeffs="-0.63"/>
+    <surface id="4" name="right" type="x-plane" boundary="reflective" coeffs="0.63"/>
+    <surface id="5" name="bottom" type="y-plane" boundary="reflective" coeffs="-0.63"/>
+    <surface id="6" name="top" type="y-plane" boundary="reflective" coeffs="0.63"/>
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>10</batches>
+    <inactive>5</inactive>
+    <source type="independent" strength="1.0" particle="neutron">
+      <space type="box">
+        <parameters>-0.63 -0.63 -1 0.63 0.63 1</parameters>
+      </space>
+      <constraints>
+        <fissionable>true</fissionable>
+      </constraints>
+    </source>
+    <energy_mode>multi-group</energy_mode>
+    <random_ray>
+      <source type="independent" strength="1.0" particle="neutron">
+        <space type="box">
+          <parameters>-0.63 -0.63 -1.0 0.63 0.63 1.0</parameters>
+        </space>
+      </source>
+      <distance_inactive>30.0</distance_inactive>
+      <distance_active>150.0</distance_active>
+      <source_region_meshes>
+        <mesh id="1">
+          <domain id="0" type="universe"/>
+        </mesh>
+      </source_region_meshes>
+      <source_shape>linear</source_shape>
+    </random_ray>
+    <mesh id="1">
+      <dimension>2 2</dimension>
+      <lower_left>-0.63 -0.63</lower_left>
+      <upper_right>0.63 0.63</upper_right>
+    </mesh>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/random_ray_auto_convert_source_energy/stochastic_slab/user/results_true.dat b/tests/regression_tests/random_ray_auto_convert_source_energy/stochastic_slab/user/results_true.dat
new file mode 100644
index 000000000..c6cce2e39
--- /dev/null
+++ b/tests/regression_tests/random_ray_auto_convert_source_energy/stochastic_slab/user/results_true.dat
@@ -0,0 +1,2 @@
+k-combined:
+7.620306E-01 2.175179E-02
diff --git a/tests/regression_tests/random_ray_auto_convert_source_energy/test.py b/tests/regression_tests/random_ray_auto_convert_source_energy/test.py
new file mode 100644
index 000000000..bb9119d89
--- /dev/null
+++ b/tests/regression_tests/random_ray_auto_convert_source_energy/test.py
@@ -0,0 +1,66 @@
+import os
+
+import openmc
+from openmc.examples import pwr_pin_cell
+from openmc import RegularMesh
+from openmc.utility_funcs import change_directory
+import pytest
+
+from tests.testing_harness import TolerantPyAPITestHarness
+
+
+class MGXSTestHarness(TolerantPyAPITestHarness):
+    def _cleanup(self):
+        super()._cleanup()
+        f = 'mgxs.h5'
+        if os.path.exists(f):
+            os.remove(f)
+
+
+@pytest.mark.parametrize("source_type", ["model", "user"])
+@pytest.mark.parametrize("method", ["stochastic_slab", "infinite_medium"])
+def test_random_ray_auto_convert_source_energy(method, source_type):
+    dirname = f"{method}/{source_type}"
+    with change_directory(dirname):
+        openmc.reset_auto_ids()
+
+        # Start with a normal continuous energy model
+        model = pwr_pin_cell()
+
+        # Define the source energy distribution, using different methods
+        source_energy = None
+        if source_type == "model":
+            model.settings.source = openmc.IndependentSource(
+                energy=openmc.stats.delta_function(7.0e6)
+            )
+        elif source_type == "user":
+            source_energy = openmc.stats.delta_function(1.0e4)
+
+        # Convert to a multi-group model
+        model.convert_to_multigroup(
+            method=method, groups='CASMO-8', nparticles=100,
+            overwrite_mgxs_library=False, mgxs_path="mgxs.h5",
+            source_energy=source_energy
+        )
+
+        # Convert to a random ray model
+        model.convert_to_random_ray()
+
+        # Set the number of particles
+        model.settings.particles = 100
+
+        # Overlay a basic 2x2 mesh
+        n = 2
+        mesh = RegularMesh()
+        mesh.dimension = (n, n)
+        bbox = model.geometry.bounding_box
+        mesh.lower_left = (bbox.lower_left[0], bbox.lower_left[1])
+        mesh.upper_right = (bbox.upper_right[0], bbox.upper_right[1])
+        model.settings.random_ray['source_region_meshes'] = [
+            (mesh, [model.geometry.root_universe])]
+
+        # Set the source shape to linear
+        model.settings.random_ray['source_shape'] = 'linear'
+
+        harness = MGXSTestHarness('statepoint.10.h5', model)
+        harness.main()

From db8d4627386c5a5da94d7ddd953d57e93eaa10bb Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 4 Dec 2025 06:53:04 -0600
Subject: [PATCH 2447/2654] Allow DistribcellFilter to work with
 apply_tally_results=True (#3667)

---
 openmc/__init__.py                          |  2 +-
 openmc/data/decay.py                        | 16 ++-----
 openmc/data/neutron.py                      |  8 +---
 openmc/filter.py                            | 19 ++++++--
 openmc/model/model.py                       | 11 +++++
 openmc/statepoint.py                        |  2 +-
 openmc/tallies.py                           | 37 ++++----------
 tests/unit_tests/test_filter_distribcell.py | 53 +++++++++++++++++++++
 8 files changed, 94 insertions(+), 54 deletions(-)
 create mode 100644 tests/unit_tests/test_filter_distribcell.py

diff --git a/openmc/__init__.py b/openmc/__init__.py
index bb972b4e6..c204929c8 100644
--- a/openmc/__init__.py
+++ b/openmc/__init__.py
@@ -37,7 +37,7 @@ from openmc.tracks import *
 from .config import *
 
 # Import a few names from the model module
-from openmc.model import Model
+from openmc.model import Model, SearchResult
 
 from . import examples
 
diff --git a/openmc/data/decay.py b/openmc/data/decay.py
index c8a0bb5e7..7cd4bf43d 100644
--- a/openmc/data/decay.py
+++ b/openmc/data/decay.py
@@ -13,7 +13,7 @@ import openmc.checkvalue as cv
 from openmc.exceptions import DataError
 from openmc.mixin import EqualityMixin
 from openmc.stats import Discrete, Tabular, Univariate, combine_distributions
-from .data import ATOMIC_SYMBOL, ATOMIC_NUMBER
+from .data import ATOMIC_NUMBER, gnds_name
 from .function import INTERPOLATION_SCHEME
 from .endf import Evaluation, get_head_record, get_list_record, get_tab1_record
 
@@ -126,9 +126,7 @@ class FissionProductYields(EqualityMixin):
                 for j in range(n_products):
                     Z, A = divmod(int(values[4*j]), 1000)
                     isomeric_state = int(values[4*j + 1])
-                    name = ATOMIC_SYMBOL[Z] + str(A)
-                    if isomeric_state > 0:
-                        name += f'_m{isomeric_state}'
+                    name = gnds_name(Z, A, isomeric_state)
                     yield_j = ufloat(values[4*j + 2], values[4*j + 3])
                     yields[name] = yield_j
 
@@ -256,10 +254,7 @@ class DecayMode(EqualityMixin):
                         A += delta_A
                         Z += delta_Z
 
-        if self._daughter_state > 0:
-            return f'{ATOMIC_SYMBOL[Z]}{A}_m{self._daughter_state}'
-        else:
-            return f'{ATOMIC_SYMBOL[Z]}{A}'
+        return gnds_name(Z, A, self._daughter_state)
 
     @property
     def parent(self):
@@ -348,10 +343,7 @@ class Decay(EqualityMixin):
         self.nuclide['atomic_number'] = Z
         self.nuclide['mass_number'] = A
         self.nuclide['isomeric_state'] = metastable
-        if metastable > 0:
-            self.nuclide['name'] = f'{ATOMIC_SYMBOL[Z]}{A}_m{metastable}'
-        else:
-            self.nuclide['name'] = f'{ATOMIC_SYMBOL[Z]}{A}'
+        self.nuclide['name'] = gnds_name(Z, A, metastable)
         self.nuclide['mass'] = items[1]  # AWR
         self.nuclide['excited_state'] = items[2]  # State of the original nuclide
         self.nuclide['stable'] = (items[4] == 1)  # Nucleus stability flag
diff --git a/openmc/data/neutron.py b/openmc/data/neutron.py
index 95a3424ea..628801e5e 100644
--- a/openmc/data/neutron.py
+++ b/openmc/data/neutron.py
@@ -11,7 +11,7 @@ import h5py
 
 from . import HDF5_VERSION, HDF5_VERSION_MAJOR
 from .ace import Library, Table, get_table, get_metadata
-from .data import ATOMIC_SYMBOL, K_BOLTZMANN, EV_PER_MEV
+from .data import ATOMIC_SYMBOL, K_BOLTZMANN, EV_PER_MEV, gnds_name
 from .endf import (
     Evaluation, SUM_RULES, get_head_record, get_tab1_record, get_evaluations)
 from .fission_energy import FissionEnergyRelease
@@ -678,11 +678,7 @@ class IncidentNeutron(EqualityMixin):
         temperature = ev.target['temperature']
 
         # Determine name
-        element = ATOMIC_SYMBOL[atomic_number]
-        if metastable > 0:
-            name = f'{element}{mass_number}_m{metastable}'
-        else:
-            name = f'{element}{mass_number}'
+        name = gnds_name(atomic_number, mass_number, metastable)
 
         # Instantiate incident neutron data
         data = cls(name, atomic_number, mass_number, metastable,
diff --git a/openmc/filter.py b/openmc/filter.py
index 6a666d2a0..550146f85 100644
--- a/openmc/filter.py
+++ b/openmc/filter.py
@@ -1839,12 +1839,21 @@ class DistribcellFilter(Filter):
 
     @property
     def paths(self):
-        return self._paths
+        if self._paths is None:
+            if not hasattr(self, '_geometry'):
+                raise ValueError(
+                    "Model must be exported before the 'paths' attribute is" \
+                    "available for a DistribcellFilter.")
 
-    @paths.setter
-    def paths(self, paths):
-        cv.check_iterable_type('paths', paths, str)
-        self._paths = paths
+            # Determine paths for cell instances
+            self._geometry.determine_paths()
+
+            # Get paths for the corresponding cell
+            cell_id = self.bins[0]
+            cell = self._geometry.get_all_cells()[cell_id]
+            self._paths = cell.paths
+
+        return self._paths
 
     @Filter.bins.setter
     def bins(self, bins):
diff --git a/openmc/model/model.py b/openmc/model/model.py
index 299724759..782725b78 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -546,6 +546,13 @@ class Model:
                 depletion_operator.cleanup_when_done = True
                 depletion_operator.finalize()
 
+    def _link_geometry_to_filters(self):
+        """Establishes a link between distribcell filters and the geometry"""
+        for tally in self.tallies:
+            for f in tally.filters:
+                if isinstance(f, openmc.DistribcellFilter):
+                    f._geometry = self.geometry
+
     def export_to_xml(self, directory: PathLike = '.', remove_surfs: bool = False,
                       nuclides_to_ignore: Iterable[str] | None = None):
         """Export model to separate XML files.
@@ -587,6 +594,8 @@ class Model:
         if self.plots:
             self.plots.export_to_xml(d)
 
+        self._link_geometry_to_filters()
+
     def export_to_model_xml(self, path: PathLike = 'model.xml', remove_surfs: bool = False,
                             nuclides_to_ignore: Iterable[str] | None = None):
         """Export model to a single XML file.
@@ -666,6 +675,8 @@ class Model:
                 fh.write(ET.tostring(plots_element, encoding="unicode"))
             fh.write("</model>\n")
 
+        self._link_geometry_to_filters()
+
     def import_properties(self, filename: PathLike):
         """Import physical properties
 
diff --git a/openmc/statepoint.py b/openmc/statepoint.py
index 11986841f..a10ec3a83 100644
--- a/openmc/statepoint.py
+++ b/openmc/statepoint.py
@@ -723,7 +723,7 @@ class StatePoint:
                     cell = cells[cell_id]
                     if not cell._paths:
                         summary.geometry.determine_paths()
-                    tally_filter.paths = cell.paths
+                    tally_filter._paths = cell.paths
 
         self._summary = summary
 
diff --git a/openmc/tallies.py b/openmc/tallies.py
index add356579..09365e525 100644
--- a/openmc/tallies.py
+++ b/openmc/tallies.py
@@ -290,7 +290,7 @@ class Tally(IDManagerMixin):
 
     @property
     def num_nuclides(self):
-        return len(self._nuclides)
+        return max(len(self._nuclides), 1)
 
     @property
     def scores(self):
@@ -393,6 +393,11 @@ class Tally(IDManagerMixin):
             group = f[f'tallies/tally {self.id}']
             self._num_realizations = int(group['n_realizations'][()])
 
+            for filt in self.filters:
+                if isinstance(filt, openmc.DistribcellFilter):
+                    filter_group = f[f'tallies/filters/filter {filt.id}']
+                    filt._num_bins = int(filter_group['n_bins'][()])
+
             # Update nuclides
             nuclide_names = group['nuclides'][()]
             self._nuclides = [name.decode().strip() for name in nuclide_names]
@@ -3704,43 +3709,17 @@ class Tallies(cv.CheckedList):
             if possible. Defaults to False.
 
         """
-        if not isinstance(tally, Tally):
-            msg = f'Unable to add a non-Tally "{tally}" to the Tallies instance'
-            raise TypeError(msg)
-
         if merge:
-            merged = False
-
             # Look for a tally to merge with this one
             for i, tally2 in enumerate(self):
-
                 # If a mergeable tally is found
                 if tally2.can_merge(tally):
                     # Replace tally2 with the merged tally
                     merged_tally = tally2.merge(tally)
                     self[i] = merged_tally
-                    merged = True
-                    break
+                    return
 
-            # If no mergeable tally was found, simply add this tally
-            if not merged:
-                super().append(tally)
-
-        else:
-            super().append(tally)
-
-    def insert(self, index, item):
-        """Insert tally before index
-
-        Parameters
-        ----------
-        index : int
-            Index in list
-        item : openmc.Tally
-            Tally to insert
-
-        """
-        super().insert(index, item)
+        super().append(tally)
 
     def merge_tallies(self):
         """Merge any mergeable tallies together. Note that n-way merges are
diff --git a/tests/unit_tests/test_filter_distribcell.py b/tests/unit_tests/test_filter_distribcell.py
new file mode 100644
index 000000000..d5734a2c0
--- /dev/null
+++ b/tests/unit_tests/test_filter_distribcell.py
@@ -0,0 +1,53 @@
+import openmc
+import pandas as pd
+
+
+def test_distribcell_filter_apply_tally_results(run_in_tmpdir):
+    # Reset IDs to ensure consistent paths
+    openmc.reset_auto_ids()
+
+    mat = openmc.Material()
+    mat.add_nuclide("U235", 1.0)
+    mat.set_density("g/cm3", 1.0)
+
+    # Define 2x2 lattice with a cylinder in each universe
+    cyl = openmc.ZCylinder(r=1.0)
+    cell1 = openmc.Cell(fill=mat, region=-cyl)
+    cell2 = openmc.Cell(fill=None, region=+cyl)
+    univ = openmc.Universe(cells=[cell1, cell2])
+    lattice = openmc.RectLattice()
+    lattice.lower_left = (-3.0, -3.0)
+    lattice.pitch = (3.0, 3.0)
+    lattice.universes = [[univ, univ], [univ, univ]]
+    box = openmc.model.RectangularPrism(6., 6., boundary_type='reflective')
+    root_cell = openmc.Cell(region=-box, fill=lattice)
+    geometry = openmc.Geometry([root_cell])
+
+    # Create model and add tally with distribcell filter
+    model = openmc.Model(geometry)
+    model.settings.batches = 10
+    model.settings.particles = 1000
+    tally = openmc.Tally()
+    distribcell_filter = openmc.DistribcellFilter(cell1)
+    tally.filters = [distribcell_filter]
+    tally.scores = ['flux']
+    model.tallies = [tally]
+
+    # Run OpenMC and apply tally results
+    model.run(apply_tally_results=True)
+
+    # Check that mean and standard deviation are available on tally
+    assert tally.mean.shape == (4, 1, 1)
+    assert tally.std_dev.shape == (4, 1, 1)
+
+    # Make sure paths attribute on filter is correct
+    assert distribcell_filter.paths == [
+        'u3->c3->l2(0,0)->u1->c1',
+        'u3->c3->l2(1,0)->u1->c1',
+        'u3->c3->l2(0,1)->u1->c1',
+        'u3->c3->l2(1,1)->u1->c1',
+    ]
+
+    # Check that we can get a DataFrame from the tally
+    df = tally.get_pandas_dataframe()
+    assert isinstance(df, pd.DataFrame)

From f28139250ac8dc7fdef3f8f13b8c65c5dbb82923 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Fri, 5 Dec 2025 18:02:26 +0100
Subject: [PATCH 2448/2654] Fixed plotting issue by scaling source locations
 with axis units (#3668)

---
 openmc/model/model.py | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/openmc/model/model.py b/openmc/model/model.py
index 782725b78..538c64ff3 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -1287,8 +1287,8 @@ class Model:
             tol = plane_tolerance
             for particle in particles:
                 if (slice_value - tol < particle.r[z] < slice_value + tol):
-                    xs.append(particle.r[x])
-                    ys.append(particle.r[y])
+                    xs.append(particle.r[x] * axis_scaling_factor[axis_units])
+                    ys.append(particle.r[y] * axis_scaling_factor[axis_units])
             axes.scatter(xs, ys, **source_kwargs)
 
         return axes

From 9b675adda5c64f8620c11e3d6723c598f443f982 Mon Sep 17 00:00:00 2001
From: Boris Polania <boris.polania@gmail.com>
Date: Fri, 5 Dec 2025 12:17:09 -0800
Subject: [PATCH 2449/2654] Introduce SlicePlot and VoxelPlot to replace the
 Plot class (#3528)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 docs/source/pythonapi/base.rst             |   3 +-
 docs/source/usersguide/plots.rst           |  46 ++-
 docs/source/usersguide/random_ray.rst      |   6 +-
 examples/lattice/hexagonal/build_xml.py    |   4 +-
 examples/lattice/nested/build_xml.py       |   2 +-
 examples/lattice/simple/build_xml.py       |   2 +-
 examples/pincell_random_ray/build_xml.py   |   3 +-
 openmc/examples.py                         |   6 +-
 openmc/executor.py                         |   2 +-
 openmc/model/model.py                      |   2 +-
 openmc/plots.py                            | 324 ++++++++++++++++++---
 src/mcpl_interface.cpp                     |  13 +-
 tests/regression_tests/distribmat/test.py  |   4 +-
 tests/unit_tests/test_model.py             |   6 +-
 tests/unit_tests/test_plots.py             |  34 +--
 tests/unit_tests/test_slice_voxel_plots.py | 273 +++++++++++++++++
 16 files changed, 618 insertions(+), 112 deletions(-)
 create mode 100644 tests/unit_tests/test_slice_voxel_plots.py

diff --git a/docs/source/pythonapi/base.rst b/docs/source/pythonapi/base.rst
index ce2f6f0f8..dea8c4427 100644
--- a/docs/source/pythonapi/base.rst
+++ b/docs/source/pythonapi/base.rst
@@ -176,7 +176,8 @@ Geometry Plotting
    :nosignatures:
    :template: myclass.rst
 
-   openmc.Plot
+   openmc.SlicePlot
+   openmc.VoxelPlot
    openmc.WireframeRayTracePlot
    openmc.SolidRayTracePlot
    openmc.Plots
diff --git a/docs/source/usersguide/plots.rst b/docs/source/usersguide/plots.rst
index da0c69bdd..b5c29a3e8 100644
--- a/docs/source/usersguide/plots.rst
+++ b/docs/source/usersguide/plots.rst
@@ -6,13 +6,14 @@ Geometry Visualization
 
 .. currentmodule:: openmc
 
-OpenMC is capable of producing two-dimensional slice plots of a geometry as well
-as three-dimensional voxel plots using the geometry plotting :ref:`run mode
-<usersguide_run_modes>`. The geometry plotting mode relies on the presence of a
-:ref:`plots.xml <io_plots>` file that indicates what plots should be created. To
-create this file, one needs to create one or more :class:`openmc.Plot`
-instances, add them to a :class:`openmc.Plots` collection, and then use the
-:class:`Plots.export_to_xml` method to write the ``plots.xml`` file.
+OpenMC is capable of producing two-dimensional slice plots of a geometry,
+three-dimensional voxel plots, and three-dimensional raytrace plots using the
+geometry plotting :ref:`run mode <usersguide_run_modes>`. The geometry plotting
+mode relies on the presence of a :ref:`plots.xml <io_plots>` file that indicates
+what plots should be created. To create this file, one needs to create one or
+more instances of the various plot classes described below, add them to a
+:class:`openmc.Plots` collection, and then use the :class:`Plots.export_to_xml`
+method to write the ``plots.xml`` file.
 
 -----------
 Slice Plots
@@ -21,15 +22,14 @@ Slice Plots
 .. image:: ../_images/atr.png
    :width: 300px
 
-By default, when an instance of :class:`openmc.Plot` is created, it indicates
-that a 2D slice plot should be made. You can specify the origin of the plot
-(:attr:`Plot.origin`), the width of the plot in each direction
-(:attr:`Plot.width`), the number of pixels to use in each direction
-(:attr:`Plot.pixels`), and the basis directions for the plot. For example, to
-create a :math:`x` - :math:`z` plot centered at (5.0, 2.0, 3.0) with a width of
-(50., 50.)  and 400x400 pixels::
+The :class:`openmc.SlicePlot` class indicates that a 2D slice plot should be
+made. You can specify the origin of the plot (:attr:`SlicePlot.origin`), the
+width of the plot in each direction (:attr:`SlicePlot.width`), the number of
+pixels to use in each direction (:attr:`SlicePlot.pixels`), and the basis
+directions for the plot. For example, to create a :math:`x` - :math:`z` plot
+centered at (5.0, 2.0, 3.0) with a width of (50., 50.)  and 400x400 pixels::
 
-  plot = openmc.Plot()
+  plot = openmc.SlicePlot()
   plot.basis = 'xz'
   plot.origin = (5.0, 2.0, 3.0)
   plot.width = (50., 50.)
@@ -47,7 +47,7 @@ that location.
 
 By default, a unique color will be assigned to each cell in the geometry. If you
 want your plot to be colored by material instead, change the
-:attr:`Plot.color_by` attribute::
+:attr:`SlicePlot.color_by` attribute::
 
   plot.color_by = 'material'
 
@@ -68,8 +68,8 @@ particular cells/materials should be given colors of your choosing::
 Note that colors can be given as RGB tuples or by a string indicating a valid
 `SVG color <https://www.w3.org/TR/SVG11/types.html#ColorKeywords>`_.
 
-When you're done creating your :class:`openmc.Plot` instances, you need to then
-assign them to a :class:`openmc.Plots` collection and export it to XML::
+When you're done creating your :class:`openmc.SlicePlot` instances, you need to
+then assign them to a :class:`openmc.Plots` collection and export it to XML::
 
   plots = openmc.Plots([plot1, plot2, plot3])
   plots.export_to_xml()
@@ -97,13 +97,11 @@ Voxel Plots
 .. image:: ../_images/3dba.png
    :width: 200px
 
-The :class:`openmc.Plot` class can also be told to generate a 3D voxel plot
-instead of a 2D slice plot. Simply change the :attr:`Plot.type` attribute to
-'voxel'. In this case, the :attr:`Plot.width` and :attr:`Plot.pixels` attributes
-should be three items long, e.g.::
+The :class:`openmc.VoxelPlot` class enables the generation of a 3D voxel plot
+instead of a 2D slice plot. In this case, the :attr:`VoxelPlot.width` and
+:attr:`VoxelPlot.pixels` attributes should be three items long, e.g.::
 
-  vox_plot = openmc.Plot()
-  vox_plot.type = 'voxel'
+  vox_plot = openmc.VoxelPlot()
   vox_plot.width = (100., 100., 50.)
   vox_plot.pixels = (400, 400, 200)
 
diff --git a/docs/source/usersguide/random_ray.rst b/docs/source/usersguide/random_ray.rst
index 881498a0a..382381a9e 100644
--- a/docs/source/usersguide/random_ray.rst
+++ b/docs/source/usersguide/random_ray.rst
@@ -1131,11 +1131,10 @@ given below:
     tallies.export_to_xml()
 
     # Create voxel plot
-    plot = openmc.Plot()
+    plot = openmc.VoxelPlot()
     plot.origin = [0, 0, 0]
     plot.width = [2*pitch, 2*pitch, 1]
     plot.pixels = [1000, 1000, 1]
-    plot.type = 'voxel'
 
     # Instantiate a Plots collection and export to XML
     plots = openmc.Plots([plot])
@@ -1215,11 +1214,10 @@ given below:
     tallies.export_to_xml()
 
     # Create voxel plot
-    plot = openmc.Plot()
+    plot = openmc.VoxelPlot()
     plot.origin = [0, 0, 0]
     plot.width = [2*pitch, 2*pitch, 1]
     plot.pixels = [1000, 1000, 1]
-    plot.type = 'voxel'
 
     # Instantiate a Plots collection and export to XML
     plots = openmc.Plots([plot])
diff --git a/examples/lattice/hexagonal/build_xml.py b/examples/lattice/hexagonal/build_xml.py
index 9485d0aa4..2624e52b4 100644
--- a/examples/lattice/hexagonal/build_xml.py
+++ b/examples/lattice/hexagonal/build_xml.py
@@ -128,14 +128,14 @@ settings_file.export_to_xml()
 #                   Exporting to OpenMC plots.xml file
 ###############################################################################
 
-plot_xy = openmc.Plot(plot_id=1)
+plot_xy = openmc.SlicePlot(plot_id=1)
 plot_xy.filename = 'plot_xy'
 plot_xy.origin = [0, 0, 0]
 plot_xy.width = [6, 6]
 plot_xy.pixels = [400, 400]
 plot_xy.color_by = 'material'
 
-plot_yz = openmc.Plot(plot_id=2)
+plot_yz = openmc.SlicePlot(plot_id=2)
 plot_yz.filename = 'plot_yz'
 plot_yz.basis = 'yz'
 plot_yz.origin = [0, 0, 0]
diff --git a/examples/lattice/nested/build_xml.py b/examples/lattice/nested/build_xml.py
index 2db23a46b..a1d9c092d 100644
--- a/examples/lattice/nested/build_xml.py
+++ b/examples/lattice/nested/build_xml.py
@@ -135,7 +135,7 @@ settings_file.export_to_xml()
 #                   Exporting to OpenMC plots.xml file
 ###############################################################################
 
-plot = openmc.Plot(plot_id=1)
+plot = openmc.SlicePlot(plot_id=1)
 plot.origin = [0, 0, 0]
 plot.width = [4, 4]
 plot.pixels = [400, 400]
diff --git a/examples/lattice/simple/build_xml.py b/examples/lattice/simple/build_xml.py
index 56c466121..44531edd8 100644
--- a/examples/lattice/simple/build_xml.py
+++ b/examples/lattice/simple/build_xml.py
@@ -128,7 +128,7 @@ settings_file.export_to_xml()
 #                   Exporting to OpenMC plots.xml file
 ###############################################################################
 
-plot = openmc.Plot(plot_id=1)
+plot = openmc.SlicePlot(plot_id=1)
 plot.origin = [0, 0, 0]
 plot.width = [4, 4]
 plot.pixels = [400, 400]
diff --git a/examples/pincell_random_ray/build_xml.py b/examples/pincell_random_ray/build_xml.py
index b3dd8020a..5ff4c0082 100644
--- a/examples/pincell_random_ray/build_xml.py
+++ b/examples/pincell_random_ray/build_xml.py
@@ -192,11 +192,10 @@ tallies.export_to_xml()
 #                   Exporting to OpenMC plots.xml file
 ###############################################################################
 
-plot = openmc.Plot()
+plot = openmc.VoxelPlot()
 plot.origin = [0, 0, 0]
 plot.width = [pitch, pitch, pitch]
 plot.pixels = [1000, 1000, 1]
-plot.type = 'voxel'
 
 # Instantiate a Plots collection and export to XML
 plots = openmc.Plots([plot])
diff --git a/openmc/examples.py b/openmc/examples.py
index 5578d513e..01dd9d01f 100644
--- a/openmc/examples.py
+++ b/openmc/examples.py
@@ -83,7 +83,7 @@ def pwr_pin_cell() -> openmc.Model:
         constraints={'fissionable': True}
     )
 
-    plot = openmc.Plot.from_geometry(model.geometry)
+    plot = openmc.SlicePlot.from_geometry(model.geometry)
     plot.pixels = (300, 300)
     plot.color_by = 'material'
     model.plots.append(plot)
@@ -429,7 +429,7 @@ def pwr_core() -> openmc.Model:
     model.settings.source = openmc.IndependentSource(space=openmc.stats.Box(
         [-160, -160, -183], [160, 160, 183]))
 
-    plot = openmc.Plot()
+    plot = openmc.SlicePlot()
     plot.origin = (125, 125, 0)
     plot.width = (250, 250)
     plot.pixels = (3000, 3000)
@@ -544,7 +544,7 @@ def pwr_assembly() -> openmc.Model:
         constraints={'fissionable': True}
     )
 
-    plot = openmc.Plot()
+    plot = openmc.SlicePlot()
     plot.origin = (0.0, 0.0, 0)
     plot.width = (21.42, 21.42)
     plot.pixels = (300, 300)
diff --git a/openmc/executor.py b/openmc/executor.py
index aacc48b3f..9cd299345 100644
--- a/openmc/executor.py
+++ b/openmc/executor.py
@@ -164,7 +164,7 @@ def plot_inline(plots, openmc_exec='openmc', cwd='.', path_input=None):
 
     Parameters
     ----------
-    plots : Iterable of openmc.Plot
+    plots : Iterable of openmc.PlotBase
         Plots to display
     openmc_exec : str
         Path to OpenMC executable
diff --git a/openmc/model/model.py b/openmc/model/model.py
index 538c64ff3..e2ac57eba 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -1170,7 +1170,7 @@ class Model:
                 self.settings.plot_seed = seed
 
             # Create plot object matching passed arguments
-            plot = openmc.Plot()
+            plot = openmc.SlicePlot()
             plot.origin = origin
             plot.width = width
             plot.pixels = pixels
diff --git a/openmc/plots.py b/openmc/plots.py
index a0bde3f00..cb722abc6 100644
--- a/openmc/plots.py
+++ b/openmc/plots.py
@@ -2,6 +2,7 @@ from collections.abc import Iterable, Mapping
 from numbers import Integral, Real
 from pathlib import Path
 from textwrap import dedent
+import warnings
 
 import h5py
 import lxml.etree as ET
@@ -626,14 +627,15 @@ class PlotBase(IDManagerMixin):
         return element
 
 
-class Plot(PlotBase):
-    """Definition of a finite region of space to be plotted.
+class SlicePlot(PlotBase):
+    """Definition of a 2D slice plot of the geometry.
 
-    OpenMC is capable of generating two-dimensional slice plots, or
-    three-dimensional voxel or projection plots. Colors that are used in plots can be given as
-    RGB tuples, e.g. (255, 255, 255) would be white, or by a string indicating a
+    Colors that are used in plots can be given as RGB tuples, e.g.
+    (255, 255, 255) would be white, or by a string indicating a
     valid `SVG color <https://www.w3.org/TR/SVG11/types.html#ColorKeywords>`_.
 
+    .. versionadded:: 0.15.4
+
     Parameters
     ----------
     plot_id : int
@@ -648,7 +650,7 @@ class Plot(PlotBase):
     name : str
         Name of the plot
     pixels : Iterable of int
-        Number of pixels to use in each direction
+        Number of pixels to use in each direction (2 values)
     filename : str
         Path to write the plot to
     color_by : {'cell', 'material'}
@@ -671,11 +673,9 @@ class Plot(PlotBase):
     level : int
         Universe depth to plot at
     width : Iterable of float
-        Width of the plot in each basis direction
+        Width of the plot in each basis direction (2 values)
     origin : tuple or list of ndarray
-        Origin (center) of the plot
-    type : {'slice', 'voxel'}
-        The type of the plot
+        Origin (center) of the plot (3 values)
     basis : {'xy', 'xz', 'yz'}
         The basis directions for the plot
     meshlines : dict
@@ -688,10 +688,37 @@ class Plot(PlotBase):
         super().__init__(plot_id, name)
         self._width = [4.0, 4.0]
         self._origin = [0., 0., 0.]
-        self._type = 'slice'
         self._basis = 'xy'
         self._meshlines = None
 
+    @property
+    def type(self):
+        warnings.warn(
+            "The 'type' attribute is deprecated and will be removed in a future version. "
+            "This is a SlicePlot instance.",
+            FutureWarning, stacklevel=2
+        )
+        return 'slice'
+
+    @type.setter
+    def type(self, value):
+        raise TypeError(
+            "Setting plot.type is no longer supported. "
+            "Use openmc.SlicePlot() for 2D slice plots or openmc.VoxelPlot() for 3D voxel plots."
+        )
+
+    @property
+    def pixels(self):
+        return self._pixels
+
+    @pixels.setter
+    def pixels(self, pixels):
+        cv.check_type('plot pixels', pixels, Iterable, Integral)
+        cv.check_length('plot pixels', pixels, 2, 2)
+        for dim in pixels:
+            cv.check_greater_than('plot pixels', dim, 0)
+        self._pixels = pixels
+
     @property
     def width(self):
         return self._width
@@ -699,7 +726,7 @@ class Plot(PlotBase):
     @width.setter
     def width(self, width):
         cv.check_type('plot width', width, Iterable, Real)
-        cv.check_length('plot width', width, 2, 3)
+        cv.check_length('plot width', width, 2, 2)
         self._width = width
 
     @property
@@ -712,15 +739,6 @@ class Plot(PlotBase):
         cv.check_length('plot origin', origin, 3)
         self._origin = origin
 
-    @property
-    def type(self):
-        return self._type
-
-    @type.setter
-    def type(self, plottype):
-        cv.check_value('plot type', plottype, ['slice', 'voxel'])
-        self._type = plottype
-
     @property
     def basis(self):
         return self._basis
@@ -763,11 +781,10 @@ class Plot(PlotBase):
         self._meshlines = meshlines
 
     def __repr__(self):
-        string = 'Plot\n'
+        string = 'SlicePlot\n'
         string += '{: <16}=\t{}\n'.format('\tID', self._id)
         string += '{: <16}=\t{}\n'.format('\tName', self._name)
         string += '{: <16}=\t{}\n'.format('\tFilename', self._filename)
-        string += '{: <16}=\t{}\n'.format('\tType', self._type)
         string += '{: <16}=\t{}\n'.format('\tBasis', self._basis)
         string += '{: <16}=\t{}\n'.format('\tWidth', self._width)
         string += '{: <16}=\t{}\n'.format('\tOrigin', self._origin)
@@ -883,7 +900,7 @@ class Plot(PlotBase):
                 self._colors[domain] = (r, g, b)
 
     def to_xml_element(self):
-        """Return XML representation of the slice/voxel plot
+        """Return XML representation of the slice plot
 
         Returns
         -------
@@ -893,10 +910,8 @@ class Plot(PlotBase):
         """
 
         element = super().to_xml_element()
-        element.set("type", self._type)
-
-        if self._type == 'slice':
-            element.set("basis", self._basis)
+        element.set("type", "slice")
+        element.set("basis", self._basis)
 
         subelement = ET.SubElement(element, "origin")
         subelement.text = ' '.join(map(str, self._origin))
@@ -942,8 +957,8 @@ class Plot(PlotBase):
 
         Returns
         -------
-        openmc.Plot
-            Plot object
+        openmc.SlicePlot
+            SlicePlot object
 
         """
         plot_id = int(get_text(elem, "id"))
@@ -952,9 +967,7 @@ class Plot(PlotBase):
         if "filename" in elem.keys():
             plot.filename = get_text(elem, "filename")
         plot.color_by = get_text(elem, "color_by")
-        plot.type = get_text(elem, "type")
-        if plot.type == 'slice':
-            plot.basis = get_text(elem, "basis")
+        plot.basis = get_text(elem, "basis")
 
         plot.origin = tuple(get_elem_list(elem, "origin", float))
         plot.width = tuple(get_elem_list(elem, "width", float))
@@ -1036,9 +1049,215 @@ class Plot(PlotBase):
         # Return produced image
         return _get_plot_image(self, cwd)
 
+
+
+class VoxelPlot(PlotBase):
+    """Definition of a 3D voxel plot of the geometry.
+
+    Colors that are used in plots can be given as RGB tuples, e.g.
+    (255, 255, 255) would be white, or by a string indicating a
+    valid `SVG color <https://www.w3.org/TR/SVG11/types.html#ColorKeywords>`_.
+
+    .. versionadded:: 0.15.1
+
+    Parameters
+    ----------
+    plot_id : int
+        Unique identifier for the plot
+    name : str
+        Name of the plot
+
+    Attributes
+    ----------
+    id : int
+        Unique identifier
+    name : str
+        Name of the plot
+    pixels : Iterable of int
+        Number of pixels to use in each direction (3 values)
+    filename : str
+        Path to write the plot to
+    color_by : {'cell', 'material'}
+        Indicate whether the plot should be colored by cell or by material
+    background : Iterable of int or str
+        Color of the background
+    mask_components : Iterable of openmc.Cell or openmc.Material or int
+        The cells or materials (or corresponding IDs) to mask
+    mask_background : Iterable of int or str
+        Color to apply to all cells/materials listed in mask_components
+    show_overlaps : bool
+        Indicate whether or not overlapping regions are shown
+    overlap_color : Iterable of int or str
+        Color to apply to overlapping regions
+    colors : dict
+        Dictionary indicating that certain cells/materials should be
+        displayed with a particular color. The keys can be of type
+        :class:`~openmc.Cell`, :class:`~openmc.Material`, or int (ID for a
+        cell/material).
+    level : int
+        Universe depth to plot at
+    width : Iterable of float
+        Width of the plot in each dimension (3 values)
+    origin : tuple or list of ndarray
+        Origin (center) of the plot (3 values)
+
+    """
+
+    def __init__(self, plot_id=None, name=''):
+        super().__init__(plot_id, name)
+        self._width = [4.0, 4.0, 4.0]
+        self._origin = [0., 0., 0.]
+        self._pixels = [400, 400, 400]
+
+    @property
+    def pixels(self):
+        return self._pixels
+
+    @pixels.setter
+    def pixels(self, pixels):
+        cv.check_type('plot pixels', pixels, Iterable, Integral)
+        cv.check_length('plot pixels', pixels, 3, 3)
+        for dim in pixels:
+            cv.check_greater_than('plot pixels', dim, 0)
+        self._pixels = pixels
+
+    @property
+    def width(self):
+        return self._width
+
+    @width.setter
+    def width(self, width):
+        cv.check_type('plot width', width, Iterable, Real)
+        cv.check_length('plot width', width, 3, 3)
+        self._width = width
+
+    @property
+    def origin(self):
+        return self._origin
+
+    @origin.setter
+    def origin(self, origin):
+        cv.check_type('plot origin', origin, Iterable, Real)
+        cv.check_length('plot origin', origin, 3)
+        self._origin = origin
+
+    def __repr__(self):
+        string = 'VoxelPlot\n'
+        string += '{: <16}=\t{}\n'.format('\tID', self._id)
+        string += '{: <16}=\t{}\n'.format('\tName', self._name)
+        string += '{: <16}=\t{}\n'.format('\tFilename', self._filename)
+        string += '{: <16}=\t{}\n'.format('\tWidth', self._width)
+        string += '{: <16}=\t{}\n'.format('\tOrigin', self._origin)
+        string += '{: <16}=\t{}\n'.format('\tPixels', self._pixels)
+        string += '{: <16}=\t{}\n'.format('\tColor by', self._color_by)
+        string += '{: <16}=\t{}\n'.format('\tBackground', self._background)
+        string += '{: <16}=\t{}\n'.format('\tMask components',
+                                          self._mask_components)
+        string += '{: <16}=\t{}\n'.format('\tMask background',
+                                          self._mask_background)
+        string += '{: <16}=\t{}\n'.format('\tOverlap Color',
+                                          self._overlap_color)
+        string += '{: <16}=\t{}\n'.format('\tColors', self._colors)
+        string += '{: <16}=\t{}\n'.format('\tLevel', self._level)
+        return string
+
+    def to_xml_element(self):
+        """Return XML representation of the voxel plot
+
+        Returns
+        -------
+        element : lxml.etree._Element
+            XML element containing plot data
+
+        """
+
+        element = super().to_xml_element()
+        element.set("type", "voxel")
+
+        subelement = ET.SubElement(element, "origin")
+        subelement.text = ' '.join(map(str, self._origin))
+
+        subelement = ET.SubElement(element, "width")
+        subelement.text = ' '.join(map(str, self._width))
+
+        if self._colors:
+            self._colors_to_xml(element)
+
+        if self._show_overlaps:
+            subelement = ET.SubElement(element, "show_overlaps")
+            subelement.text = "true"
+
+            if self._overlap_color is not None:
+                color = self._overlap_color
+                if isinstance(color, str):
+                    color = _SVG_COLORS[color.lower()]
+                subelement = ET.SubElement(element, "overlap_color")
+                subelement.text = ' '.join(str(x) for x in color)
+
+        return element
+
+    @classmethod
+    def from_xml_element(cls, elem):
+        """Generate plot object from an XML element
+
+        Parameters
+        ----------
+        elem : lxml.etree._Element
+            XML element
+
+        Returns
+        -------
+        openmc.VoxelPlot
+            VoxelPlot object
+
+        """
+        plot_id = int(get_text(elem, "id"))
+        name = get_text(elem, 'name', '')
+        plot = cls(plot_id, name)
+        if "filename" in elem.keys():
+            plot.filename = get_text(elem, "filename")
+        plot.color_by = get_text(elem, "color_by")
+
+        plot.origin = tuple(get_elem_list(elem, "origin", float))
+        plot.width = tuple(get_elem_list(elem, "width", float))
+        plot.pixels = tuple(get_elem_list(elem, "pixels"))
+        background = get_elem_list(elem, "background")
+        if background is not None:
+            plot._background = tuple(background)
+
+        # Set plot colors
+        colors = {}
+        for color_elem in elem.findall("color"):
+            uid = int(get_text(color_elem, "id"))
+            colors[uid] = tuple(get_elem_list(color_elem, "rgb", int))
+        plot.colors = colors
+
+        # Set masking information
+        mask_elem = elem.find("mask")
+        if mask_elem is not None:
+            plot.mask_components = get_elem_list(mask_elem, "components", int)
+            background = get_elem_list(mask_elem, "background", int)
+            if background is not None:
+                plot.mask_background = tuple(background)
+
+        # show overlaps
+        overlap = get_text(elem, "show_overlaps")
+        if overlap is not None:
+            plot.show_overlaps = (overlap in ('true', '1'))
+        overlap_color = get_elem_list(elem, "overlap_color", int)
+        if overlap_color is not None:
+            plot.overlap_color = tuple(overlap_color)
+
+        # Set universe level
+        level = get_text(elem, "level")
+        if level is not None:
+            plot.level = int(level)
+
+        return plot
+
     def to_vtk(self, output: PathLike | None = None,
                openmc_exec: str = 'openmc', cwd: str = '.'):
-        """Render plot as an voxel image
+        """Render plot as a voxel image
 
         This method runs OpenMC in plotting mode to produce a .vti file.
 
@@ -1059,10 +1278,6 @@ class Plot(PlotBase):
             Path of the .vti file produced
 
         """
-        if self.type != 'voxel':
-            raise ValueError(
-                'Generating a VTK file only works for voxel plots')
-
         # Create plots.xml
         Plots([self]).export_to_xml(cwd)
 
@@ -1082,6 +1297,20 @@ class Plot(PlotBase):
         return voxel_to_vtk(h5_voxel_file, output)
 
 
+def Plot(plot_id=None, name=''):
+    """Legacy Plot class for backward compatibility.
+
+    .. deprecated:: 0.15.4
+        Use :class:`SlicePlot` for 2D slice plots or :class:`VoxelPlot` for 3D voxel plots.
+
+    """
+    warnings.warn(
+        "The Plot class is deprecated. Use SlicePlot for 2D slice plots "
+        "or VoxelPlot for 3D voxel plots.", FutureWarning
+    )
+    return SlicePlot(plot_id, name)
+
+
 class RayTracePlot(PlotBase):
     """Definition of a camera's view of OpenMC geometry
 
@@ -1737,16 +1966,16 @@ class SolidRayTracePlot(RayTracePlot):
 
 
 class Plots(cv.CheckedList):
-    """Collection of Plots used for an OpenMC simulation.
+    """Collection of plots used for an OpenMC simulation.
 
     This class corresponds directly to the plots.xml input file. It can be
     thought of as a normal Python list where each member is inherits from
     :class:`PlotBase`. It behaves like a list as the following example
     demonstrates:
 
-    >>> xz_plot = openmc.Plot()
-    >>> big_plot = openmc.Plot()
-    >>> small_plot = openmc.Plot()
+    >>> xz_plot = openmc.SlicePlot()
+    >>> big_plot = openmc.VoxelPlot()
+    >>> small_plot = openmc.SlicePlot()
     >>> p = openmc.Plots((xz_plot, big_plot))
     >>> p.append(small_plot)
     >>> small_plot = p.pop()
@@ -1782,7 +2011,7 @@ class Plots(cv.CheckedList):
         ----------
         index : int
             Index in list
-        plot : openmc.Plot
+        plot : openmc.PlotBase
             Plot to insert
 
         """
@@ -1903,8 +2132,13 @@ class Plots(cv.CheckedList):
                 plots.append(WireframeRayTracePlot.from_xml_element(e))
             elif plot_type == 'solid_raytrace':
                 plots.append(SolidRayTracePlot.from_xml_element(e))
-            elif plot_type in ('slice', 'voxel'):
-                plots.append(Plot.from_xml_element(e))
+            elif plot_type == 'slice':
+                plots.append(SlicePlot.from_xml_element(e))
+            elif plot_type == 'voxel':
+                plots.append(VoxelPlot.from_xml_element(e))
+            elif plot_type is None:
+                # For backward compatibility, assume slice if no type specified
+                plots.append(SlicePlot.from_xml_element(e))
             else:
                 raise ValueError("Unknown plot type: {}".format(plot_type))
         return plots
diff --git a/src/mcpl_interface.cpp b/src/mcpl_interface.cpp
index 129407301..256f3343f 100644
--- a/src/mcpl_interface.cpp
+++ b/src/mcpl_interface.cpp
@@ -63,7 +63,7 @@ using mcpl_read_fpt = const mcpl_particle_repr_t* (*)(mcpl_file_t* file_handle);
 using mcpl_close_file_fpt = void (*)(mcpl_file_t* file_handle);
 
 using mcpl_hdr_add_data_fpt = void (*)(mcpl_outfile_t* file_handle,
-  const char* key, int32_t ldata, const char* data);
+  const char* key, uint32_t datalength, const char* data);
 using mcpl_create_outfile_fpt = mcpl_outfile_t* (*)(const char* filename);
 using mcpl_hdr_set_srcname_fpt = void (*)(
   mcpl_outfile_t* outfile_handle, const char* srcname);
@@ -150,13 +150,20 @@ struct McplApi {
       load_symbol_platform("mcpl_create_outfile"));
     hdr_set_srcname = reinterpret_cast<mcpl_hdr_set_srcname_fpt>(
       load_symbol_platform("mcpl_hdr_set_srcname"));
-    hdr_add_data = reinterpret_cast<mcpl_hdr_add_data_fpt>(
-      load_symbol_platform("mcpl_hdr_add_data"));
     add_particle = reinterpret_cast<mcpl_add_particle_fpt>(
       load_symbol_platform("mcpl_add_particle"));
     close_outfile = reinterpret_cast<mcpl_close_outfile_fpt>(
       load_symbol_platform("mcpl_close_outfile"));
 
+    // Try to load mcpl_hdr_add_data (available in MCPL >= 2.1.0)
+    // Set to nullptr if not available for graceful fallback
+    try {
+      hdr_add_data = reinterpret_cast<mcpl_hdr_add_data_fpt>(
+        load_symbol_platform("mcpl_hdr_add_data"));
+    } catch (const std::runtime_error&) {
+      hdr_add_data = nullptr;
+    }
+
     // Try to load mcpl_hdr_add_stat_sum (available in MCPL >= 2.1.0)
     // Set to nullptr if not available for graceful fallback
     try {
diff --git a/tests/regression_tests/distribmat/test.py b/tests/regression_tests/distribmat/test.py
index 02f7e773e..dd09eec36 100644
--- a/tests/regression_tests/distribmat/test.py
+++ b/tests/regression_tests/distribmat/test.py
@@ -73,7 +73,7 @@ class DistribmatTestHarness(PyAPITestHarness):
         # Plots
         ####################
 
-        plot1 = openmc.Plot(plot_id=1)
+        plot1 = openmc.SlicePlot(plot_id=1)
         plot1.basis = 'xy'
         plot1.color_by = 'cell'
         plot1.filename = 'cellplot'
@@ -81,7 +81,7 @@ class DistribmatTestHarness(PyAPITestHarness):
         plot1.width = (7, 7)
         plot1.pixels = (400, 400)
 
-        plot2 = openmc.Plot(plot_id=2)
+        plot2 = openmc.SlicePlot(plot_id=2)
         plot2.basis = 'xy'
         plot2.color_by = 'material'
         plot2.filename = 'matplot'
diff --git a/tests/unit_tests/test_model.py b/tests/unit_tests/test_model.py
index f4f94a47c..9b28ff1c4 100644
--- a/tests/unit_tests/test_model.py
+++ b/tests/unit_tests/test_model.py
@@ -73,13 +73,13 @@ def pin_model_attributes():
     tal.scores = ['flux', 'fission']
     tals.append(tal)
 
-    plot1 = openmc.Plot(plot_id=1)
+    plot1 = openmc.SlicePlot(plot_id=1)
     plot1.origin = (0., 0., 0.)
     plot1.width = (pitch, pitch)
     plot1.pixels = (300, 300)
     plot1.color_by = 'material'
     plot1.filename = 'test'
-    plot2 = openmc.Plot(plot_id=2)
+    plot2 = openmc.SlicePlot(plot_id=2)
     plot2.origin = (0., 0., 0.)
     plot2.width = (pitch, pitch)
     plot2.pixels = (300, 300)
@@ -911,7 +911,7 @@ def test_setter_from_list():
     model = openmc.Model(tallies=[tally])
     assert isinstance(model.tallies, openmc.Tallies)
 
-    plot = openmc.Plot()
+    plot = openmc.SlicePlot()
     model = openmc.Model(plots=[plot])
     assert isinstance(model.plots, openmc.Plots)
 
diff --git a/tests/unit_tests/test_plots.py b/tests/unit_tests/test_plots.py
index fad574ee6..98a93e44b 100644
--- a/tests/unit_tests/test_plots.py
+++ b/tests/unit_tests/test_plots.py
@@ -9,12 +9,11 @@ from openmc.plots import _SVG_COLORS
 
 @pytest.fixture(scope='module')
 def myplot():
-    plot = openmc.Plot(name='myplot')
+    plot = openmc.SlicePlot(name='myplot')
     plot.width = (100., 100.)
     plot.origin = (2., 3., -10.)
     plot.pixels = (500, 500)
     plot.filename = './not-a-dir/myplot'
-    plot.type = 'slice'
     plot.basis = 'yz'
     plot.background = 'black'
     plot.background = (0, 0, 0)
@@ -80,8 +79,7 @@ def test_voxel_plot(run_in_tmpdir):
     geometry.export_to_xml()
     materials = openmc.Materials()
     materials.export_to_xml()
-    vox_plot = openmc.Plot()
-    vox_plot.type = 'voxel'
+    vox_plot = openmc.VoxelPlot()
     vox_plot.id = 12
     vox_plot.width = (1500., 1500., 1500.)
     vox_plot.pixels = (200, 200, 200)
@@ -97,8 +95,9 @@ def test_voxel_plot(run_in_tmpdir):
     assert Path('h5_voxel_plot.h5').is_file()
     assert Path('another_test_voxel_plot.vti').is_file()
 
-    slice_plot = openmc.Plot()
-    with pytest.raises(ValueError):
+    # SlicePlot should not have to_vtk method
+    slice_plot = openmc.SlicePlot()
+    with pytest.raises(AttributeError):
         slice_plot.to_vtk('shimmy.vti')
 
 
@@ -153,14 +152,14 @@ def test_from_geometry():
     geom = openmc.Geometry(univ)
 
     for basis in ('xy', 'yz', 'xz'):
-        plot = openmc.Plot.from_geometry(geom, basis)
+        plot = openmc.SlicePlot.from_geometry(geom, basis)
         assert plot.origin == pytest.approx((0., 0., 0.))
         assert plot.width == pytest.approx((width, width))
         assert plot.basis == basis
 
 
 def test_highlight_domains():
-    plot = openmc.Plot()
+    plot = openmc.SlicePlot()
     plot.color_by = 'material'
     plots = openmc.Plots([plot])
 
@@ -179,8 +178,8 @@ def test_xml_element(myplot):
     assert elem.find('pixels') is not None
     assert elem.find('background').text == '0 0 0'
 
-    newplot = openmc.Plot.from_xml_element(elem)
-    attributes = ('id', 'color_by', 'filename', 'type', 'basis', 'level',
+    newplot = openmc.SlicePlot.from_xml_element(elem)
+    attributes = ('id', 'color_by', 'filename', 'basis', 'level',
                   'meshlines', 'show_overlaps', 'origin', 'width', 'pixels',
                   'background', 'mask_background')
     for attr in attributes:
@@ -200,11 +199,11 @@ def test_to_xml_element_proj(myprojectionplot):
 
 
 def test_plots(run_in_tmpdir):
-    p1 = openmc.Plot(name='plot1')
+    p1 = openmc.SlicePlot(name='plot1')
     p1.origin = (5., 5., 5.)
     p1.colors = {10: (255, 100, 0)}
     p1.mask_components = [2, 4, 6]
-    p2 = openmc.Plot(name='plot2')
+    p2 = openmc.SlicePlot(name='plot2')
     p2.origin = (-3., -3., -3.)
     plots = openmc.Plots([p1, p2])
     assert len(plots) == 2
@@ -213,7 +212,7 @@ def test_plots(run_in_tmpdir):
     plots = openmc.Plots([p1, p2, p3])
     assert len(plots) == 3
 
-    p4 = openmc.Plot(name='plot4')
+    p4 = openmc.VoxelPlot(name='plot4')
     plots.append(p4)
     assert len(plots) == 4
 
@@ -230,8 +229,7 @@ def test_plots(run_in_tmpdir):
 
 def test_voxel_plot_roundtrip():
     # Define a voxel plot and create XML element
-    plot = openmc.Plot(name='my voxel plot')
-    plot.type = 'voxel'
+    plot = openmc.VoxelPlot(name='my voxel plot')
     plot.filename = 'voxel1'
     plot.pixels = (50, 50, 50)
     plot.origin = (0., 0., 0.)
@@ -243,7 +241,6 @@ def test_voxel_plot_roundtrip():
     new_plot = plot.from_xml_element(elem)
     assert new_plot.name == plot.name
     assert new_plot.filename == plot.filename
-    assert new_plot.type == plot.type
     assert new_plot.pixels == plot.pixels
     assert new_plot.origin == plot.origin
     assert new_plot.width == plot.width
@@ -288,10 +285,9 @@ def test_phong_plot_roundtrip():
 def test_plot_directory(run_in_tmpdir):
     pwr_pin = openmc.examples.pwr_pin_cell()
 
-    # create a standard plot, expected to work
-    plot = openmc.Plot()
+    # create a standard slice plot, expected to work
+    plot = openmc.SlicePlot()
     plot.filename = 'plot_1'
-    plot.type = 'slice'
     plot.pixels = (10, 10)
     plot.color_by = 'material'
     plot.width = (100., 100.)
diff --git a/tests/unit_tests/test_slice_voxel_plots.py b/tests/unit_tests/test_slice_voxel_plots.py
new file mode 100644
index 000000000..48ca31b7a
--- /dev/null
+++ b/tests/unit_tests/test_slice_voxel_plots.py
@@ -0,0 +1,273 @@
+"""Tests for SlicePlot and VoxelPlot classes
+
+This module tests the functionality of the new SlicePlot and VoxelPlot
+classes that replace the legacy Plot class.
+"""
+import warnings
+
+import pytest
+import openmc
+
+
+def test_slice_plot_initialization():
+    """Test SlicePlot initialization with defaults"""
+    plot = openmc.SlicePlot()
+    assert plot.width == [4.0, 4.0]
+    assert plot.pixels == [400, 400]
+    assert plot.basis == 'xy'
+    assert plot.origin == [0., 0., 0.]
+
+
+def test_slice_plot_width_validation():
+    """Test that SlicePlot only accepts 2 values for width"""
+    plot = openmc.SlicePlot()
+
+    # Should accept 2 values
+    plot.width = [10.0, 20.0]
+    assert plot.width == [10.0, 20.0]
+
+    # Should reject 1 value
+    with pytest.raises(ValueError, match='must be of length "2"'):
+        plot.width = [10.0]
+
+    # Should reject 3 values
+    with pytest.raises(ValueError, match='must be of length "2"'):
+        plot.width = [10.0, 20.0, 30.0]
+
+
+def test_slice_plot_pixels_validation():
+    """Test that SlicePlot only accepts 2 values for pixels"""
+    plot = openmc.SlicePlot()
+
+    # Should accept 2 values
+    plot.pixels = [100, 200]
+    assert plot.pixels == [100, 200]
+
+    # Should reject 1 value
+    with pytest.raises(ValueError, match='must be of length "2"'):
+        plot.pixels = [100]
+
+    # Should reject 3 values
+    with pytest.raises(ValueError, match='must be of length "2"'):
+        plot.pixels = [100, 200, 300]
+
+
+def test_slice_plot_basis():
+    """Test that SlicePlot has basis attribute"""
+    plot = openmc.SlicePlot()
+
+    # Test all valid basis values
+    for basis in ['xy', 'xz', 'yz']:
+        plot.basis = basis
+        assert plot.basis == basis
+
+    # Test invalid basis
+    with pytest.raises(ValueError):
+        plot.basis = 'invalid'
+
+
+def test_slice_plot_meshlines():
+    """Test that SlicePlot has meshlines attribute"""
+    plot = openmc.SlicePlot()
+
+    meshlines = {
+        'type': 'tally',
+        'id': 1,
+        'linewidth': 2,
+        'color': (255, 0, 0)
+    }
+    plot.meshlines = meshlines
+    assert plot.meshlines == meshlines
+
+
+def test_slice_plot_xml_roundtrip():
+    """Test SlicePlot XML serialization and deserialization"""
+    plot = openmc.SlicePlot(name='test_slice')
+    plot.width = [15.0, 25.0]
+    plot.pixels = [150, 250]
+    plot.basis = 'xz'
+    plot.origin = [1.0, 2.0, 3.0]
+    plot.color_by = 'material'
+    plot.filename = 'test_plot'
+
+    # Convert to XML and back
+    elem = plot.to_xml_element()
+    new_plot = openmc.SlicePlot.from_xml_element(elem)
+
+    # Check all attributes preserved
+    assert new_plot.name == plot.name
+    assert new_plot.width == pytest.approx(plot.width)
+    assert new_plot.pixels == tuple(plot.pixels)
+    assert new_plot.basis == plot.basis
+    assert new_plot.origin == pytest.approx(plot.origin)
+    assert new_plot.color_by == plot.color_by
+    assert new_plot.filename == plot.filename
+
+
+def test_slice_plot_from_geometry():
+    """Test creating SlicePlot from geometry"""
+    # Create simple geometry
+    s = openmc.Sphere(r=10.0, boundary_type='vacuum')
+    c = openmc.Cell(region=-s)
+    univ = openmc.Universe(cells=[c])
+    geom = openmc.Geometry(univ)
+
+    # Test all basis options
+    for basis in ['xy', 'xz', 'yz']:
+        plot = openmc.SlicePlot.from_geometry(geom, basis=basis)
+        assert plot.basis == basis
+        assert plot.width == pytest.approx([20.0, 20.0])
+        assert plot.origin == pytest.approx([0.0, 0.0, 0.0])
+
+
+def test_voxel_plot_initialization():
+    """Test VoxelPlot initialization with defaults"""
+    plot = openmc.VoxelPlot()
+    assert plot.width == [4.0, 4.0, 4.0]
+    assert plot.pixels == [400, 400, 400]
+    assert plot.origin == [0., 0., 0.]
+
+
+def test_voxel_plot_width_validation():
+    """Test that VoxelPlot only accepts 3 values for width"""
+    plot = openmc.VoxelPlot()
+
+    # Should accept 3 values
+    plot.width = [10.0, 20.0, 30.0]
+    assert plot.width == [10.0, 20.0, 30.0]
+
+    # Should reject 2 values
+    with pytest.raises(ValueError, match='must be of length "3"'):
+        plot.width = [10.0, 20.0]
+
+    # Should reject 1 value
+    with pytest.raises(ValueError, match='must be of length "3"'):
+        plot.width = [10.0]
+
+
+def test_voxel_plot_pixels_validation():
+    """Test that VoxelPlot only accepts 3 values for pixels"""
+    plot = openmc.VoxelPlot()
+
+    # Should accept 3 values
+    plot.pixels = [100, 200, 300]
+    assert plot.pixels == [100, 200, 300]
+
+    # Should reject 2 values
+    with pytest.raises(ValueError, match='must be of length "3"'):
+        plot.pixels = [100, 200]
+
+    # Should reject 1 value
+    with pytest.raises(ValueError, match='must be of length "3"'):
+        plot.pixels = [100]
+
+
+def test_voxel_plot_xml_roundtrip():
+    """Test VoxelPlot XML serialization and deserialization"""
+    plot = openmc.VoxelPlot(name='test_voxel')
+    plot.width = [10.0, 20.0, 30.0]
+    plot.pixels = [100, 200, 300]
+    plot.origin = [1.0, 2.0, 3.0]
+    plot.color_by = 'cell'
+    plot.filename = 'voxel_plot'
+
+    # Convert to XML and back
+    elem = plot.to_xml_element()
+    new_plot = openmc.VoxelPlot.from_xml_element(elem)
+
+    # Check all attributes preserved
+    assert new_plot.name == plot.name
+    assert new_plot.width == pytest.approx(plot.width)
+    assert new_plot.pixels == tuple(plot.pixels)
+    assert new_plot.origin == pytest.approx(plot.origin)
+    assert new_plot.color_by == plot.color_by
+    assert new_plot.filename == plot.filename
+
+
+def test_plot_deprecation_warning():
+    """Test that Plot class raises deprecation warning"""
+    with warnings.catch_warnings(record=True) as w:
+        warnings.simplefilter("always")
+        openmc.Plot()
+
+        assert len(w) == 1
+        assert issubclass(w[0].category, FutureWarning)
+        assert "deprecated" in str(w[0].message).lower()
+
+
+def test_plot_returns_slice_plot():
+    """Test that Plot() returns a SlicePlot instance"""
+    with warnings.catch_warnings():
+        warnings.simplefilter("ignore")
+        plot = openmc.Plot()
+
+        # Should be an actual SlicePlot instance
+        assert isinstance(plot, openmc.SlicePlot)
+
+
+def test_plot_type_setter_raises_error():
+    """Test that setting plot.type raises a helpful error"""
+    with warnings.catch_warnings():
+        warnings.simplefilter("ignore")
+        plot = openmc.Plot()
+
+        with pytest.raises(TypeError, match="no longer supported"):
+            plot.type = 'voxel'
+
+        with pytest.raises(TypeError, match="no longer supported"):
+            plot.type = 'slice'
+
+
+def test_plot_type_getter_warns():
+    """Test that getting plot.type raises a deprecation warning"""
+    with warnings.catch_warnings():
+        warnings.simplefilter("ignore")
+        plot = openmc.Plot()
+
+    with warnings.catch_warnings(record=True) as w:
+        warnings.simplefilter("always")
+        plot_type = plot.type
+
+        assert plot_type == 'slice'
+        assert len(w) == 1
+        assert issubclass(w[0].category, FutureWarning)
+        assert "deprecated" in str(w[0].message).lower()
+
+
+def test_plots_collection_mixed_types():
+    """Test Plots collection with different plot types"""
+    slice_plot = openmc.SlicePlot(name='slice')
+    voxel_plot = openmc.VoxelPlot(name='voxel')
+    wireframe_plot = openmc.WireframeRayTracePlot(name='wireframe')
+
+    plots = openmc.Plots([slice_plot, voxel_plot, wireframe_plot])
+
+    assert len(plots) == 3
+    assert isinstance(plots[0], openmc.SlicePlot)
+    assert isinstance(plots[1], openmc.VoxelPlot)
+    assert isinstance(plots[2], openmc.WireframeRayTracePlot)
+
+
+def test_plots_collection_xml_roundtrip(run_in_tmpdir):
+    """Test XML export and import with new plot types"""
+    s1 = openmc.SlicePlot(name='slice1')
+    s1.width = [10.0, 20.0]
+    s1.basis = 'xz'
+
+    v1 = openmc.VoxelPlot(name='voxel1')
+    v1.width = [10.0, 20.0, 30.0]
+
+    plots = openmc.Plots([s1, v1])
+    plots.export_to_xml()
+
+    # Read back
+    new_plots = openmc.Plots.from_xml()
+
+    assert len(new_plots) == 2
+    assert isinstance(new_plots[0], openmc.SlicePlot)
+    assert isinstance(new_plots[1], openmc.VoxelPlot)
+    assert new_plots[0].name == 'slice1'
+    assert new_plots[1].name == 'voxel1'
+    assert new_plots[0].basis == 'xz'
+    assert new_plots[0].width == pytest.approx([10.0, 20.0])
+    assert new_plots[1].width == pytest.approx([10.0, 20.0, 30.0])

From f70febb05f5fc32925d08707db48ff2c33dfe493 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Sat, 6 Dec 2025 15:54:30 -0600
Subject: [PATCH 2450/2654] Update CITATION.cff file (#3671)

---
 CITATION.cff | 36 +++++++++++++++++++++++++++++++++++-
 1 file changed, 35 insertions(+), 1 deletion(-)

diff --git a/CITATION.cff b/CITATION.cff
index 19b4213a1..ab27d89b8 100644
--- a/CITATION.cff
+++ b/CITATION.cff
@@ -1,9 +1,43 @@
+cff-version: 1.2.0
+message: "If you use this software, please cite it as below."
+title: OpenMC
+authors:
+- family-names: Romano
+  given-names: Paul K.
+  orcid: "https://orcid.org/0000-0002-1147-045X"
+- family-names: Shriwise
+  given-names: Patrick C.
+  orcid: "https://orcid.org/0000-0002-3979-7665"
+- family-names: Shimwell
+  given-names: Jonathan
+  orcid: "https://orcid.org/0000-0001-6909-0946"
+- family-names: Harper
+  given-names: Sterling
+- family-names: Boyd
+  given-names: Will
+- family-names: Nelson
+  given-names: Adam G.
+  orcid: "https://orcid.org/0000-0002-3614-0676"
+- family-names: Tramm
+  given-names: John R.
+  orcid: "https://orcid.org/0000-0002-5397-4402"
+- family-names: Ridley
+  given-names: Gavin
+  orcid: "https://orcid.org/0000-0003-1635-8042"
+- family-names: Johnson
+  given-names: Andrew
+  orcid: "https://orcid.org/0000-0003-2125-8775"
+- family-names: Peterson
+  given-names: Ethan E.
+  orcid: "https://orcid.org/0000-0002-5694-7194"
+- family-names: Herman
+  given-names: Bryan R.
 preferred-citation:
   authors:
   - family-names: Romano
     given-names: Paul K.
     orcid: "https://orcid.org/0000-0002-1147-045X"
-  - final-names: Horelik
+  - family-names: Horelik
     given-names: Nicholas E.
   - family-names: Herman
     given-names: Bryan R.

From 9b40ea008efb4ca48e51b5ab4569fb09c42c4380 Mon Sep 17 00:00:00 2001
From: GuySten <62616591+GuySten@users.noreply.github.com>
Date: Mon, 8 Dec 2025 13:39:48 +0200
Subject: [PATCH 2451/2654] Read IFP settings only in source/eigenvalue run
 mode (#3673)

---
 src/settings.cpp | 28 ++++++++++++++--------------
 1 file changed, 14 insertions(+), 14 deletions(-)

diff --git a/src/settings.cpp b/src/settings.cpp
index 9dcf7c8db..d47e9b5e6 100644
--- a/src/settings.cpp
+++ b/src/settings.cpp
@@ -545,6 +545,20 @@ void read_settings_xml(pugi::xml_node root)
     } else if (rel_max_lost_particles <= 0.0 || rel_max_lost_particles >= 1.0) {
       fatal_error("Relative max lost particles must be between zero and one.");
     }
+
+    // Check for user value for the number of generation of the Iterated Fission
+    // Probability (IFP) method
+    if (check_for_node(root, "ifp_n_generation")) {
+      ifp_n_generation = std::stoi(get_node_value(root, "ifp_n_generation"));
+      if (ifp_n_generation <= 0) {
+        fatal_error("'ifp_n_generation' must be greater than 0.");
+      }
+      // Avoid tallying 0 if IFP logs are not complete when active cycles start
+      if (ifp_n_generation > n_inactive) {
+        fatal_error("'ifp_n_generation' must be lower than or equal to the "
+                    "number of inactive cycles.");
+      }
+    }
   }
 
   // Copy plotting random number seed if specified
@@ -1130,20 +1144,6 @@ void read_settings_xml(pugi::xml_node root)
     temperature_range[1] = range.at(1);
   }
 
-  // Check for user value for the number of generation of the Iterated Fission
-  // Probability (IFP) method
-  if (check_for_node(root, "ifp_n_generation")) {
-    ifp_n_generation = std::stoi(get_node_value(root, "ifp_n_generation"));
-    if (ifp_n_generation <= 0) {
-      fatal_error("'ifp_n_generation' must be greater than 0.");
-    }
-    // Avoid tallying 0 if IFP logs are not complete when active cycles start
-    if (ifp_n_generation > n_inactive) {
-      fatal_error("'ifp_n_generation' must be lower than or equal to the "
-                  "number of inactive cycles.");
-    }
-  }
-
   // Check for tabular_legendre options
   if (check_for_node(root, "tabular_legendre")) {
     // Get pointer to tabular_legendre node

From 8e06ed89986394ad46e6dccf7afc5157b6c9b870 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Mon, 8 Dec 2025 16:54:37 +0100
Subject: [PATCH 2452/2654] Allowing model.id_map to return overlap ID values
 (#3669)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/lib/plot.py             | 12 +++---------
 openmc/model/model.py          |  6 ++++++
 tests/unit_tests/test_model.py | 26 ++++++++++++++++++++++++++
 3 files changed, 35 insertions(+), 9 deletions(-)

diff --git a/openmc/lib/plot.py b/openmc/lib/plot.py
index f97348b20..68f61821c 100644
--- a/openmc/lib/plot.py
+++ b/openmc/lib/plot.py
@@ -52,7 +52,7 @@ class _PlotBase(Structure):
 
     C-Type Attributes
     -----------------
-    origin : openmc.lib.plot._Position
+    origin_ : openmc.lib.plot._Position
         A position defining the origin of the plot.
     width_ : openmc.lib.plot._Position
         The width of the plot along the x, y, and z axes, respectively
@@ -60,6 +60,8 @@ class _PlotBase(Structure):
         The axes basis of the plot view.
     pixels_ : c_size_t[3]
         The resolution of the plot in the horizontal and vertical dimensions
+    color_overlaps_ : c_bool
+        Whether to assign unique IDs (-3) to overlapping regions.
     level_ : c_int
         The universe level for the plot view
 
@@ -187,14 +189,6 @@ class _PlotBase(Structure):
     def color_overlaps(self, color_overlaps):
         self.color_overlaps_ = color_overlaps
 
-    @property
-    def color_overlaps(self):
-        return self.color_overlaps_
-
-    @color_overlaps.setter
-    def color_overlaps(self, val):
-        self.color_overlaps_ = val
-
     def __repr__(self):
         out_str = ["-----",
                    "Plot:",
diff --git a/openmc/model/model.py b/openmc/model/model.py
index e2ac57eba..a9aaa481d 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -1037,6 +1037,7 @@ class Model:
         width: Sequence[float] | None = None,
         pixels: int | Sequence[int] = 40000,
         basis: str = 'xy',
+        color_overlaps: bool = False,
         **init_kwargs
     ) -> np.ndarray:
         """Generate an ID map for domains based on the plot parameters
@@ -1065,6 +1066,10 @@ class Model:
             total and the image aspect ratio based on the width argument.
         basis : {'xy', 'yz', 'xz'}, optional
             Basis of the plot.
+        color_overlaps : bool, optional
+            Whether to assign unique IDs (-3) to overlapping regions. If False,
+            overlapping regions will be assigned the ID of the lowest-numbered
+            cell that occupies that region. Defaults to False.
         **init_kwargs
             Keyword arguments passed to :meth:`Model.init_lib`.
 
@@ -1089,6 +1094,7 @@ class Model:
         plot_obj.h_res = pixels[0]
         plot_obj.v_res = pixels[1]
         plot_obj.basis = basis
+        plot_obj.color_overlaps = color_overlaps
 
         # Silence output by default. Also set arguments to start in volume
         # calculation mode to avoid loading cross sections
diff --git a/tests/unit_tests/test_model.py b/tests/unit_tests/test_model.py
index 9b28ff1c4..d553af53c 100644
--- a/tests/unit_tests/test_model.py
+++ b/tests/unit_tests/test_model.py
@@ -902,6 +902,32 @@ def test_id_map_aligned_model():
     assert tr_material == 5, f"Expected material ID 5 at top-right corner, got {tr_material}"
 
 
+def test_id_map_model_with_overlaps():
+    """Test id_map with a model that has overlaps and color_overlaps option"""
+    surface1 = openmc.Sphere(r=50, boundary_type="vacuum")
+    surface2 = openmc.Sphere(r=30)
+    cell1 = openmc.Cell(region=-surface1)
+    cell2 = openmc.Cell(region=-surface2)
+    geometry = openmc.Geometry([cell1, cell2])
+    settings = openmc.Settings()
+    model = openmc.Model(geometry=geometry, settings=settings)
+    id_slice = model.id_map(
+        pixels=(10, 10),
+        basis='xy',
+        origin=(0, 0, 0),
+        width=(100, 100),
+    )
+    assert -3 not in id_slice  # -3 indicates overlap region
+    id_slice = model.id_map(
+        pixels=(10, 10),
+        basis='xy',
+        origin=(0, 0, 0),
+        width=(100, 100),
+        color_overlaps=True,  # enables id_map to return -3 for overlaps
+    )
+    assert -3 in id_slice
+
+
 def test_setter_from_list():
     mat = openmc.Material()
     model = openmc.Model(materials=[mat])

From a9dc84f75a8de4499c5bb04bede0f7a65eb844c5 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Mon, 8 Dec 2025 20:43:30 +0100
Subject: [PATCH 2453/2654] Allowing material making from class constructor
 (#3649)

Co-authored-by: Jon Shimwell <jon@proximafusion.com>
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/material.py                | 48 ++++++++++++++++++++++++++---
 tests/unit_tests/test_material.py | 51 +++++++++++++++++++++++++++++++
 2 files changed, 95 insertions(+), 4 deletions(-)

diff --git a/openmc/material.py b/openmc/material.py
index 1609da05a..735a05743 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -60,6 +60,26 @@ class Material(IDManagerMixin):
     temperature : float, optional
         Temperature of the material in Kelvin. If not specified, the material
         inherits the default temperature applied to the model.
+    density : float, optional
+        Density of the material (units defined separately)
+    density_units : str
+        Units used for `density`. Can be one of 'g/cm3', 'g/cc', 'kg/m3',
+        'atom/b-cm', 'atom/cm3', 'sum', or 'macro'.  The 'macro' unit only
+        applies in the case of a multi-group calculation. Defaults to 'sum'.
+    depletable : bool, optional
+        Indicate whether the material is depletable. Defaults to False.
+    volume : float, optional
+        Volume of the material in cm^3. This can either be set manually or
+        calculated in a stochastic volume calculation and added via the
+        :meth:`Material.add_volume_information` method.
+    components : dict of str to float or dict
+        Dictionary mapping element or nuclide names to their atom or weight
+        percent. To specify enrichment of an element, the entry of
+        ``components`` for that element must instead be a dictionary containing
+        the keyword arguments as well as a value for ``'percent'``
+    percent_type : {'ao', 'wo'}
+        Whether the values in `components` should be interpreted as atom percent
+        ('ao') or weight percent ('wo').
 
     Attributes
     ----------
@@ -111,17 +131,28 @@ class Material(IDManagerMixin):
     next_id = 1
     used_ids = set()
 
-    def __init__(self, material_id=None, name='', temperature=None):
+    def __init__(
+        self,
+        material_id: int | None = None,
+        name: str = "",
+        temperature: float | None = None,
+        density: float | None = None,
+        density_units: str = "sum",
+        depletable: bool | None = False,
+        volume: float | None = None,
+        components: dict | None = None,
+        percent_type: str = "ao",
+    ):
         # Initialize class attributes
         self.id = material_id
         self.name = name
         self.temperature = temperature
         self._density = None
-        self._density_units = 'sum'
-        self._depletable = False
+        self._density_units = density_units
+        self._depletable = depletable
         self._paths = None
         self._num_instances = None
-        self._volume = None
+        self._volume = volume
         self._atoms = {}
         self._isotropic = []
         self._ncrystal_cfg = None
@@ -136,6 +167,15 @@ class Material(IDManagerMixin):
         # If specified, a list of table names
         self._sab = []
 
+        # Set density if provided
+        if density is not None:
+            self.set_density(density_units, density)
+
+        # Add components if provided
+        if components is not None:
+            self.add_components(components, percent_type=percent_type)
+
+
     def __repr__(self) -> str:
         string = 'Material\n'
         string += '{: <16}=\t{}\n'.format('\tID', self._id)
diff --git a/tests/unit_tests/test_material.py b/tests/unit_tests/test_material.py
index ce58339d7..764c98d41 100644
--- a/tests/unit_tests/test_material.py
+++ b/tests/unit_tests/test_material.py
@@ -768,3 +768,54 @@ def test_mean_free_path():
     mat2.add_nuclide('Pb208', 1.0)
     mat2.set_density('g/cm3', 11.34)
     assert mat2.mean_free_path(energy=14e6) == pytest.approx(5.65, abs=1e-2)
+
+
+def test_material_from_constructor():
+    # Test that components and percent_type work in the constructor
+    components = {
+        'Li': {'percent': 0.5, 'enrichment': 60.0, 'enrichment_target': 'Li7'},
+        'O16': 1.0,
+        'Be': 0.5
+    }
+    mat = openmc.Material(
+        material_id=123,
+        name="test-mat",
+        components=components,
+        percent_type="ao"
+    )
+    # Check that nuclides were added
+    nuclide_names = [nuc.name for nuc in mat.nuclides]
+    assert 'O16' in nuclide_names
+    assert 'Be9' in nuclide_names
+    assert 'Li7' in nuclide_names
+    assert 'Li6' in nuclide_names
+    assert mat.id == 123
+    assert mat.name == "test-mat"
+
+    mat1 = openmc.Material(
+        **{
+            "material_id": 1,
+            "name": "neutron_star",
+            "density": 1e17,
+            "density_units": "kg/m3",
+        }
+    )
+    assert mat1.id == 1
+    assert mat1.name == "neutron_star"
+    assert mat1._density == 1e17
+    assert mat1._density_units == "kg/m3"
+    assert mat1.nuclides == []
+
+    mat2 = openmc.Material(
+        material_id=42,
+        name="plasma",
+        temperature=None,
+        density=1e-7,
+        density_units="g/cm3",
+    )
+    assert mat2.id == 42
+    assert mat2.name == "plasma"
+    assert mat2.temperature is None
+    assert mat2.density == 1e-7
+    assert mat2.density_units == "g/cm3"
+    assert mat2.nuclides == []

From bc1348579f30281d1a84961389d87558d64cbaf6 Mon Sep 17 00:00:00 2001
From: Lewis Gross <43077972+lewisgross1296@users.noreply.github.com>
Date: Wed, 10 Dec 2025 04:16:04 -0600
Subject: [PATCH 2454/2654] Generalize RotationalPeriodicBC for X-, Y-, or
 Z-axis (#3591)

Co-authored-by: GuySten <62616591+GuySten@users.noreply.github.com>
---
 docs/source/io_formats/geometry.rst           |   8 +-
 docs/source/usersguide/geometry.rst           |   2 +-
 include/openmc/boundary_condition.h           |  14 ++-
 openmc/surface.py                             |  14 +--
 src/boundary_condition.cpp                    | 114 +++++++++---------
 src/surface.cpp                               |  40 +++++-
 .../periodic_cyls/__init__.py                 |   0
 tests/regression_tests/periodic_cyls/test.py  |  91 ++++++++++++++
 .../periodic_cyls/xcyl_model/inputs_true.dat  |  29 +++++
 .../periodic_cyls/xcyl_model/results_true.dat |   2 +
 .../periodic_cyls/ycyl_model/inputs_true.dat  |  29 +++++
 .../periodic_cyls/ycyl_model/results_true.dat |   2 +
 12 files changed, 265 insertions(+), 80 deletions(-)
 create mode 100644 tests/regression_tests/periodic_cyls/__init__.py
 create mode 100644 tests/regression_tests/periodic_cyls/test.py
 create mode 100644 tests/regression_tests/periodic_cyls/xcyl_model/inputs_true.dat
 create mode 100644 tests/regression_tests/periodic_cyls/xcyl_model/results_true.dat
 create mode 100644 tests/regression_tests/periodic_cyls/ycyl_model/inputs_true.dat
 create mode 100644 tests/regression_tests/periodic_cyls/ycyl_model/results_true.dat

diff --git a/docs/source/io_formats/geometry.rst b/docs/source/io_formats/geometry.rst
index 6d0a37a24..dda1efa9a 100644
--- a/docs/source/io_formats/geometry.rst
+++ b/docs/source/io_formats/geometry.rst
@@ -38,11 +38,9 @@ Each ``<surface>`` element can have the following attributes or sub-elements:
 
   :boundary:
      The boundary condition for the surface. This can be "transmission",
-     "vacuum", "reflective", or "periodic". Periodic boundary conditions can
-     only be applied to x-, y-, and z-planes. Only axis-aligned periodicity is
-     supported, i.e., x-planes can only be paired with x-planes. Specify which
-     planes are periodic and the code will automatically identify which planes
-     are paired together.
+     "vacuum", "reflective", or "periodic". Specify which planes are
+     periodic and the code will automatically identify which planes are
+     paired together.
 
     *Default*: "transmission"
 
diff --git a/docs/source/usersguide/geometry.rst b/docs/source/usersguide/geometry.rst
index 6f14ebfa5..8c68e4851 100644
--- a/docs/source/usersguide/geometry.rst
+++ b/docs/source/usersguide/geometry.rst
@@ -192,7 +192,7 @@ Otherwise it is necessary to specify pairs explicitly using the
 Both rotational and translational periodic boundary conditions are specified in
 the same fashion. If both planes have the same normal vector, a translational
 periodicity is assumed; rotational periodicity is assumed otherwise. Currently,
-only rotations about the :math:`z`-axis are supported.
+rotations must be about the :math:`x`-, :math:`y`-, or :math:`z`-axis.
 
 For a rotational periodic BC, the normal vectors of each surface must point
 inwards---towards the valid geometry. For example, a :class:`XPlane` and
diff --git a/include/openmc/boundary_condition.h b/include/openmc/boundary_condition.h
index af40131f1..5a14239e8 100644
--- a/include/openmc/boundary_condition.h
+++ b/include/openmc/boundary_condition.h
@@ -138,18 +138,26 @@ protected:
 //==============================================================================
 //! A BC that rotates particles about a global axis.
 //
-//! Currently only rotations about the z-axis are supported.
+//! Only rotations about the x, y, and z axes are supported.
 //==============================================================================
 
 class RotationalPeriodicBC : public PeriodicBC {
 public:
-  RotationalPeriodicBC(int i_surf, int j_surf);
-
+  enum PeriodicAxis { x, y, z };
+  RotationalPeriodicBC(int i_surf, int j_surf, PeriodicAxis axis);
+  double compute_periodic_rotation(
+    double rise_1, double run_1, double rise_2, double run_2) const;
   void handle_particle(Particle& p, const Surface& surf) const override;
 
 protected:
   //! Angle about the axis by which particle coordinates will be rotated
   double angle_;
+  //! Ensure that choice of axes is right handed. axis_1_idx_ corresponds to the
+  //! independent axis and axis_2_idx_ corresponds to the dependent axis in the
+  //! 2D plane  perpendicular to the planes' axis of rotation
+  int zero_axis_idx_;
+  int axis_1_idx_;
+  int axis_2_idx_;
 };
 
 } // namespace openmc
diff --git a/openmc/surface.py b/openmc/surface.py
index 4839783ff..1fe5fabdf 100644
--- a/openmc/surface.py
+++ b/openmc/surface.py
@@ -123,9 +123,8 @@ class Surface(IDManagerMixin, ABC):
     boundary_type : {'transmission', 'vacuum', 'reflective', 'periodic', 'white'}, optional
         Boundary condition that defines the behavior for particles hitting the
         surface. Defaults to transmissive boundary condition where particles
-        freely pass through the surface. Note that periodic boundary conditions
-        can only be applied to x-, y-, and z-planes, and only axis-aligned
-        periodicity is supported.
+        freely pass through the surface. Note that only axis-aligned
+        periodicity is supported around the x-, y-, and z-axes.
     albedo : float, optional
         Albedo of the surfaces as a ratio of particle weight after interaction
         with the surface to the initial weight. Values must be positive. Only
@@ -822,8 +821,7 @@ class XPlane(PlaneMixin, Surface):
     boundary_type : {'transmission', 'vacuum', 'reflective', 'periodic', 'white'}, optional
         Boundary condition that defines the behavior for particles hitting the
         surface. Defaults to transmissive boundary condition where particles
-        freely pass through the surface. Only axis-aligned periodicity is
-        supported, i.e., x-planes can only be paired with x-planes.
+        freely pass through the surface.
     albedo : float, optional
         Albedo of the surfaces as a ratio of particle weight after interaction
         with the surface to the initial weight. Values must be positive. Only
@@ -887,8 +885,7 @@ class YPlane(PlaneMixin, Surface):
     boundary_type : {'transmission', 'vacuum', 'reflective', 'periodic', 'white'}, optional
         Boundary condition that defines the behavior for particles hitting the
         surface. Defaults to transmissive boundary condition where particles
-        freely pass through the surface. Only axis-aligned periodicity is
-        supported, i.e., y-planes can only be paired with y-planes.
+        freely pass through the surface.
     albedo : float, optional
         Albedo of the surfaces as a ratio of particle weight after interaction
         with the surface to the initial weight. Values must be positive. Only
@@ -952,8 +949,7 @@ class ZPlane(PlaneMixin, Surface):
     boundary_type : {'transmission', 'vacuum', 'reflective', 'periodic', 'white'}, optional
         Boundary condition that defines the behavior for particles hitting the
         surface. Defaults to transmissive boundary condition where particles
-        freely pass through the surface. Only axis-aligned periodicity is
-        supported, i.e., z-planes can only be paired with z-planes.
+        freely pass through the surface.
     albedo : float, optional
         Albedo of the surfaces as a ratio of particle weight after interaction
         with the surface to the initial weight. Values must be positive. Only
diff --git a/src/boundary_condition.cpp b/src/boundary_condition.cpp
index 7216ac896..2840b3c7d 100644
--- a/src/boundary_condition.cpp
+++ b/src/boundary_condition.cpp
@@ -158,63 +158,44 @@ void TranslationalPeriodicBC::handle_particle(
 // RotationalPeriodicBC implementation
 //==============================================================================
 
-RotationalPeriodicBC::RotationalPeriodicBC(int i_surf, int j_surf)
+RotationalPeriodicBC::RotationalPeriodicBC(
+  int i_surf, int j_surf, PeriodicAxis axis)
   : PeriodicBC(i_surf, j_surf)
 {
   Surface& surf1 {*model::surfaces[i_surf_]};
   Surface& surf2 {*model::surfaces[j_surf_]};
 
-  // Check the type of the first surface
-  bool surf1_is_xyplane;
-  if (const auto* ptr = dynamic_cast<const SurfaceXPlane*>(&surf1)) {
-    surf1_is_xyplane = true;
-  } else if (const auto* ptr = dynamic_cast<const SurfaceYPlane*>(&surf1)) {
-    surf1_is_xyplane = true;
-  } else if (const auto* ptr = dynamic_cast<const SurfacePlane*>(&surf1)) {
-    surf1_is_xyplane = false;
-  } else {
-    throw std::invalid_argument(fmt::format(
-      "Surface {} is an invalid type for "
-      "rotational periodic BCs. Only x-planes, y-planes, or general planes "
-      "(that are perpendicular to z) are supported for these BCs.",
-      surf1.id_));
-  }
-
-  // Check the type of the second surface
-  bool surf2_is_xyplane;
-  if (const auto* ptr = dynamic_cast<const SurfaceXPlane*>(&surf2)) {
-    surf2_is_xyplane = true;
-  } else if (const auto* ptr = dynamic_cast<const SurfaceYPlane*>(&surf2)) {
-    surf2_is_xyplane = true;
-  } else if (const auto* ptr = dynamic_cast<const SurfacePlane*>(&surf2)) {
-    surf2_is_xyplane = false;
-  } else {
-    throw std::invalid_argument(fmt::format(
-      "Surface {} is an invalid type for "
-      "rotational periodic BCs. Only x-planes, y-planes, or general planes "
-      "(that are perpendicular to z) are supported for these BCs.",
-      surf2.id_));
+  // below convention for right handed coordinate system
+  switch (axis) {
+  case x:
+    zero_axis_idx_ = 0; // x component of plane must be zero
+    axis_1_idx_ = 1;    // y component independent
+    axis_2_idx_ = 2;    // z component dependent
+    break;
+  case y:
+    // for a right handed coordinate system, z should be the independent axis
+    // but this would cause the y-rotation case to be different than the other
+    // two. using a left handed coordinate system and a negative rotation the
+    // compute angle and rotation matrix behavior mimics that of the x and z
+    // cases
+    zero_axis_idx_ = 1; // y component of plane must be zero
+    axis_1_idx_ = 0;    // x component independent
+    axis_2_idx_ = 2;    // z component dependent
+    break;
+  case z:
+    zero_axis_idx_ = 2; // z component of plane must be zero
+    axis_1_idx_ = 0;    // x component independent
+    axis_2_idx_ = 1;    // y component dependent
+    break;
+  default:
+    throw std::invalid_argument(
+      fmt::format("You've specified an axis that is not x, y, or z."));
   }
 
   // Compute the surface normal vectors and make sure they are perpendicular
-  // to the z-axis
+  // to the correct axis
   Direction norm1 = surf1.normal({0, 0, 0});
   Direction norm2 = surf2.normal({0, 0, 0});
-  if (std::abs(norm1.z) > FP_PRECISION) {
-    throw std::invalid_argument(fmt::format(
-      "Rotational periodic BCs are only "
-      "supported for rotations about the z-axis, but surface {} is not "
-      "perpendicular to the z-axis.",
-      surf1.id_));
-  }
-  if (std::abs(norm2.z) > FP_PRECISION) {
-    throw std::invalid_argument(fmt::format(
-      "Rotational periodic BCs are only "
-      "supported for rotations about the z-axis, but surface {} is not "
-      "perpendicular to the z-axis.",
-      surf2.id_));
-  }
-
   // Make sure both surfaces intersect the origin
   if (std::abs(surf1.evaluate({0, 0, 0})) > FP_COINCIDENT) {
     throw std::invalid_argument(fmt::format(
@@ -231,15 +212,8 @@ RotationalPeriodicBC::RotationalPeriodicBC(int i_surf, int j_surf)
       surf2.id_));
   }
 
-  // Compute the BC rotation angle.  Here it is assumed that both surface
-  // normal vectors point inwards---towards the valid geometry region.
-  // Consequently, the rotation angle is not the difference between the two
-  // normals, but is instead the difference between one normal and one
-  // anti-normal.  (An incident ray on one surface must be an outgoing ray on
-  // the other surface after rotation hence the anti-normal.)
-  double theta1 = std::atan2(norm1.y, norm1.x);
-  double theta2 = std::atan2(norm2.y, norm2.x) + PI;
-  angle_ = theta2 - theta1;
+  angle_ = compute_periodic_rotation(norm1[axis_2_idx_], norm1[axis_1_idx_],
+    norm2[axis_2_idx_], norm2[axis_1_idx_]);
 
   // Warn the user if the angle does not evenly divide a circle
   double rem = std::abs(std::remainder((2 * PI / angle_), 1.0));
@@ -251,6 +225,20 @@ RotationalPeriodicBC::RotationalPeriodicBC(int i_surf, int j_surf)
   }
 }
 
+double RotationalPeriodicBC::compute_periodic_rotation(
+  double rise_1, double run_1, double rise_2, double run_2) const
+{
+  // Compute the BC rotation angle.  Here it is assumed that both surface
+  // normal vectors point inwards---towards the valid geometry region.
+  // Consequently, the rotation angle is not the difference between the two
+  // normals, but is instead the difference between one normal and one
+  // anti-normal.  (An incident ray on one surface must be an outgoing ray on
+  // the other surface after rotation hence the anti-normal.)
+  double theta1 = std::atan2(rise_1, run_1);
+  double theta2 = std::atan2(rise_2, run_2) + PI;
+  return theta2 - theta1;
+}
+
 void RotationalPeriodicBC::handle_particle(
   Particle& p, const Surface& surf) const
 {
@@ -278,10 +266,16 @@ void RotationalPeriodicBC::handle_particle(
   Direction u = p.u();
   double cos_theta = std::cos(theta);
   double sin_theta = std::sin(theta);
-  Position new_r = {
-    cos_theta * r.x - sin_theta * r.y, sin_theta * r.x + cos_theta * r.y, r.z};
-  Direction new_u = {
-    cos_theta * u.x - sin_theta * u.y, sin_theta * u.x + cos_theta * u.y, u.z};
+
+  Position new_r;
+  new_r[zero_axis_idx_] = r[zero_axis_idx_];
+  new_r[axis_1_idx_] = cos_theta * r[axis_1_idx_] - sin_theta * r[axis_2_idx_];
+  new_r[axis_2_idx_] = sin_theta * r[axis_1_idx_] + cos_theta * r[axis_2_idx_];
+
+  Direction new_u;
+  new_u[zero_axis_idx_] = u[zero_axis_idx_];
+  new_u[axis_1_idx_] = cos_theta * u[axis_1_idx_] - sin_theta * u[axis_2_idx_];
+  new_u[axis_2_idx_] = sin_theta * u[axis_1_idx_] + cos_theta * u[axis_2_idx_];
 
   // Handle the effects of the surface albedo on the particle's weight.
   BoundaryCondition::handle_albedo(p, surf);
diff --git a/src/surface.cpp b/src/surface.cpp
index ea19514a3..09fc0f24f 100644
--- a/src/surface.cpp
+++ b/src/surface.cpp
@@ -1334,8 +1334,44 @@ void read_surfaces(pugi::xml_node node)
       surf1.bc_ = make_unique<TranslationalPeriodicBC>(i_surf, j_surf);
       surf2.bc_ = make_unique<TranslationalPeriodicBC>(i_surf, j_surf);
     } else {
-      surf1.bc_ = make_unique<RotationalPeriodicBC>(i_surf, j_surf);
-      surf2.bc_ = make_unique<RotationalPeriodicBC>(i_surf, j_surf);
+      // check that both normals have at least one 0 component
+      if (std::abs(norm1.x) > FP_PRECISION &&
+          std::abs(norm1.y) > FP_PRECISION &&
+          std::abs(norm1.z) > FP_PRECISION) {
+        fatal_error(fmt::format(
+          "The normal ({}) of the periodic surface ({}) does not contain any "
+          "component with a zero value. A RotationalPeriodicBC requires one "
+          "component which is zero for both plane normals.",
+          norm1, i_surf));
+      }
+      if (std::abs(norm2.x) > FP_PRECISION &&
+          std::abs(norm2.y) > FP_PRECISION &&
+          std::abs(norm2.z) > FP_PRECISION) {
+        fatal_error(fmt::format(
+          "The normal ({}) of the periodic surface ({}) does not contain any "
+          "component with a zero value. A RotationalPeriodicBC requires one "
+          "component which is zero for both plane normals.",
+          norm2, j_surf));
+      }
+      // find common zero component, which indicates the periodic axis
+      RotationalPeriodicBC::PeriodicAxis axis;
+      if (std::abs(norm1.x) <= FP_PRECISION &&
+          std::abs(norm2.x) <= FP_PRECISION) {
+        axis = RotationalPeriodicBC::PeriodicAxis::x;
+      } else if (std::abs(norm1.y) <= FP_PRECISION &&
+                 std::abs(norm2.y) <= FP_PRECISION) {
+        axis = RotationalPeriodicBC::PeriodicAxis::y;
+      } else if (std::abs(norm1.z) <= FP_PRECISION &&
+                 std::abs(norm2.z) <= FP_PRECISION) {
+        axis = RotationalPeriodicBC::PeriodicAxis::z;
+      } else {
+        fatal_error(fmt::format(
+          "There is no component which is 0.0 in both normal vectors. This "
+          "indicates that the two planes are not periodic about the X, Y, or Z "
+          "axis, which is not supported."));
+      }
+      surf1.bc_ = make_unique<RotationalPeriodicBC>(i_surf, j_surf, axis);
+      surf2.bc_ = make_unique<RotationalPeriodicBC>(i_surf, j_surf, axis);
     }
 
     // If albedo data is present in albedo map, set the boundary albedo.
diff --git a/tests/regression_tests/periodic_cyls/__init__.py b/tests/regression_tests/periodic_cyls/__init__.py
new file mode 100644
index 000000000..e69de29bb
diff --git a/tests/regression_tests/periodic_cyls/test.py b/tests/regression_tests/periodic_cyls/test.py
new file mode 100644
index 000000000..a341e3799
--- /dev/null
+++ b/tests/regression_tests/periodic_cyls/test.py
@@ -0,0 +1,91 @@
+import openmc
+import numpy as np
+import pytest
+from openmc.utility_funcs import change_directory
+from tests.testing_harness import PyAPITestHarness
+
+
+@pytest.fixture
+def xcyl_model():
+    model = openmc.Model()
+    # Define materials
+    fuel = openmc.Material()
+    fuel.add_nuclide('U235', 0.2)
+    fuel.add_nuclide('U238', 0.8)
+    fuel.set_density('g/cc', 19.1)
+    model.materials = openmc.Materials([fuel])
+
+    # Define geometry
+    # finite cylinder
+    x_min = openmc.XPlane(x0=0.0, boundary_type='reflective')
+    x_max = openmc.XPlane(x0=20.0, boundary_type='reflective')
+    x_cyl = openmc.XCylinder(r=20.0,boundary_type='vacuum')
+    # slice cylinder for periodic BC
+    periodic_bounding_yplane = openmc.YPlane(y0=0, boundary_type='periodic')
+    periodic_bounding_plane = openmc.Plane(
+        a=0.0, b=-np.sqrt(3) / 3, c=1, boundary_type='periodic',
+    )
+    sixth_cyl_cell = openmc.Cell(1, fill=fuel, region = 
+        +x_min &- x_max & -x_cyl & +periodic_bounding_yplane & +periodic_bounding_plane)
+    periodic_bounding_yplane.periodic_surface = periodic_bounding_plane
+    periodic_bounding_plane.periodic_surface = periodic_bounding_yplane
+
+    model.geometry = openmc.Geometry([sixth_cyl_cell])
+
+
+    # Define settings
+    model.settings.particles = 1000
+    model.settings.batches = 4
+    model.settings.inactive = 0
+    model.settings.source = openmc.IndependentSource(space=openmc.stats.Box(
+        (0, 0, 0), (20, 20, 20))
+    )
+    return model
+
+@pytest.fixture
+def ycyl_model():
+    model = openmc.Model()
+    # Define materials
+    fuel = openmc.Material()
+    fuel.add_nuclide('U235', 0.2)
+    fuel.add_nuclide('U238', 0.8)
+    fuel.set_density('g/cc', 19.1)
+    model.materials = openmc.Materials([fuel])
+
+    # Define geometry
+    # finite cylinder
+    y_min = openmc.YPlane(y0=0.0, boundary_type='reflective')
+    y_max = openmc.YPlane(y0=20.0, boundary_type='reflective')
+    y_cyl = openmc.YCylinder(r=20.0,boundary_type='vacuum')
+    # slice cylinder for periodic BC
+    periodic_bounding_xplane = openmc.XPlane(x0=0, boundary_type='periodic')
+    periodic_bounding_plane = openmc.Plane(
+        a=-np.sqrt(3) / 3, b=0.0, c=1, boundary_type='periodic',
+    )
+    sixth_cyl_cell = openmc.Cell(1, fill=fuel, region = 
+        +y_min &- y_max & -y_cyl & +periodic_bounding_xplane & +periodic_bounding_plane)
+    periodic_bounding_xplane.periodic_surface = periodic_bounding_plane
+    periodic_bounding_plane.periodic_surface = periodic_bounding_xplane
+    model.geometry = openmc.Geometry([sixth_cyl_cell])
+
+
+    # Define settings
+    model.settings.particles = 1000
+    model.settings.batches = 4
+    model.settings.inactive = 0
+    model.settings.source = openmc.IndependentSource(space=openmc.stats.Box(
+        (0, 0, 0), (20, 20, 20))
+    )
+    return model
+
+def test_xcyl(xcyl_model):
+    with change_directory("xcyl_model"):
+        openmc.reset_auto_ids()
+        harness = PyAPITestHarness('statepoint.4.h5', xcyl_model)
+        harness.main()
+
+def test_ycyl(ycyl_model):
+    with change_directory("ycyl_model"):
+        openmc.reset_auto_ids()
+        harness = PyAPITestHarness('statepoint.4.h5', ycyl_model)
+        harness.main()
\ No newline at end of file
diff --git a/tests/regression_tests/periodic_cyls/xcyl_model/inputs_true.dat b/tests/regression_tests/periodic_cyls/xcyl_model/inputs_true.dat
new file mode 100644
index 000000000..7d1ecf426
--- /dev/null
+++ b/tests/regression_tests/periodic_cyls/xcyl_model/inputs_true.dat
@@ -0,0 +1,29 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material id="1" depletable="true">
+      <density value="19.1" units="g/cc"/>
+      <nuclide name="U235" ao="0.2"/>
+      <nuclide name="U238" ao="0.8"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="1 -2 -3 4 5" universe="1"/>
+    <surface id="1" type="x-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="2" type="x-plane" boundary="reflective" coeffs="20.0"/>
+    <surface id="3" type="x-cylinder" boundary="vacuum" coeffs="0.0 0.0 20.0"/>
+    <surface id="4" type="y-plane" boundary="periodic" coeffs="0" periodic_surface_id="5"/>
+    <surface id="5" type="plane" boundary="periodic" coeffs="0.0 -0.5773502691896257 1 0.0" periodic_surface_id="4"/>
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>1000</particles>
+    <batches>4</batches>
+    <inactive>0</inactive>
+    <source type="independent" strength="1.0" particle="neutron">
+      <space type="box">
+        <parameters>0 0 0 20 20 20</parameters>
+      </space>
+    </source>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/periodic_cyls/xcyl_model/results_true.dat b/tests/regression_tests/periodic_cyls/xcyl_model/results_true.dat
new file mode 100644
index 000000000..c7e3eb670
--- /dev/null
+++ b/tests/regression_tests/periodic_cyls/xcyl_model/results_true.dat
@@ -0,0 +1,2 @@
+k-combined:
+1.082283E+00 6.676373E-02
diff --git a/tests/regression_tests/periodic_cyls/ycyl_model/inputs_true.dat b/tests/regression_tests/periodic_cyls/ycyl_model/inputs_true.dat
new file mode 100644
index 000000000..f3ca7e0f4
--- /dev/null
+++ b/tests/regression_tests/periodic_cyls/ycyl_model/inputs_true.dat
@@ -0,0 +1,29 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material id="2" depletable="true">
+      <density value="19.1" units="g/cc"/>
+      <nuclide name="U235" ao="0.2"/>
+      <nuclide name="U238" ao="0.8"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="2" region="6 -7 -8 9 10" universe="2"/>
+    <surface id="6" type="y-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="7" type="y-plane" boundary="reflective" coeffs="20.0"/>
+    <surface id="8" type="y-cylinder" boundary="vacuum" coeffs="0.0 0.0 20.0"/>
+    <surface id="9" type="x-plane" boundary="periodic" coeffs="0" periodic_surface_id="10"/>
+    <surface id="10" type="plane" boundary="periodic" coeffs="-0.5773502691896257 0.0 1 0.0" periodic_surface_id="9"/>
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>1000</particles>
+    <batches>4</batches>
+    <inactive>0</inactive>
+    <source type="independent" strength="1.0" particle="neutron">
+      <space type="box">
+        <parameters>0 0 0 20 20 20</parameters>
+      </space>
+    </source>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/periodic_cyls/ycyl_model/results_true.dat b/tests/regression_tests/periodic_cyls/ycyl_model/results_true.dat
new file mode 100644
index 000000000..562467f2c
--- /dev/null
+++ b/tests/regression_tests/periodic_cyls/ycyl_model/results_true.dat
@@ -0,0 +1,2 @@
+k-combined:
+1.082652E+00 3.316031E-02

From d09fbc61b5e164e9a434de85358dfe48a3f1b0b9 Mon Sep 17 00:00:00 2001
From: John Tramm <john.tramm@gmail.com>
Date: Wed, 10 Dec 2025 09:26:26 -0600
Subject: [PATCH 2455/2654] Copilot Bot File (#3651)

Co-authored-by: Copilot <175728472+Copilot@users.noreply.github.com>
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
Co-authored-by: Patrick Shriwise <pshriwise@gmail.com>
---
 AGENTS.md | 280 ++++++++++++++++++++++++++++++++++++++++++++++++++++++
 1 file changed, 280 insertions(+)
 create mode 100644 AGENTS.md

diff --git a/AGENTS.md b/AGENTS.md
new file mode 100644
index 000000000..32e30213a
--- /dev/null
+++ b/AGENTS.md
@@ -0,0 +1,280 @@
+# OpenMC AI Coding Agent Instructions
+
+## Project Overview
+
+OpenMC is a Monte Carlo particle transport code for simulating nuclear reactors,
+fusion devices, or other systems with neutron/photon radiation. It's a hybrid
+C++17/Python codebase where:
+- **C++ core** (`src/`, `include/openmc/`) handles the computationally intensive transport simulation
+- **Python API** (`openmc/`) provides user-facing model building, post-processing, and depletion capabilities
+- **C API bindings** (`openmc/lib/`) wrap the C++ library via ctypes for runtime control
+
+## Architecture & Key Components
+
+### C++ Component Structure
+- **Global vectors of unique_ptrs**: Core objects like `model::cells`, `model::universes`, `nuclides` are stored as `vector<unique_ptr<T>>` in nested namespaces (`openmc::model`, `openmc::simulation`, `openmc::settings`, `openmc::data`)
+- **Custom container types**: OpenMC provides its own `vector`, `array`, `unique_ptr`, and `make_unique` in the `openmc::` namespace (defined in `vector.h`, `array.h`, `memory.h`). These are currently typedefs to `std::` equivalents but may become custom implementations for accelerator support. Always use `openmc::vector`, not `std::vector`.
+- **Geometry systems**:
+  - **CSG (default)**: Arbitrarily complex Constructive Solid Geometry using `Surface`, `Region`, `Cell`, `Universe`, `Lattice`
+  - **DAGMC**: CAD-based geometry via Direct Accelerated Geometry Monte Carlo (optional, requires `OPENMC_USE_DAGMC`)
+  - **Unstructured mesh**: libMesh-based geometry (optional, requires `OPENMC_USE_LIBMESH`)
+- **Particle tracking**: `Particle` class with `GeometryState` manages particle transport through geometry
+- **Tallies**: Score quantities during simulation via `Filter` and `Tally` objects
+- **Random ray solver**: Alternative deterministic method in `src/random_ray/`
+- **Optional features**: DAGMC (CAD geometry), libMesh (unstructured mesh), MPI, all controlled by `#ifdef OPENMC_MPI`, etc.
+
+### Python Component Structure
+- **ID management**: All geometry objects (Cell, Surface, Material, etc.) inherit from `IDManagerMixin` which auto-assigns unique integer IDs and tracks them via class-level `used_ids` and `next_id`
+- **Input validation**: Extensive use of `openmc.checkvalue` module functions (`check_type`, `check_value`, `check_length`) for all setters
+- **XML I/O**: Most classes implement `to_xml_element()` and `from_xml_element()` for serialization to OpenMC's XML input format
+- **HDF5 output**: Post-simulation data in statepoint files read via `openmc.StatePoint`
+- **Depletion**: `openmc.deplete` implements burnup via operator-splitting with various integrators (Predictor, CECM, etc.)
+- **Nuclear Data**: `openmc.data` provides programmatic access to nuclear data files (ENDF, ACE, HDF5)
+
+## Critical Build & Test Workflows
+
+### Build Dependencies
+- **C++17 compiler**: GCC, Clang, or Intel
+- **CMake** (3.16+): Required for configuring and building the C++ library
+- **HDF5**: Required for cross section data and output file formats
+- **libpng**: Used for generating visualization when OpenMC is run in plotting mode
+
+Without CMake and HDF5, OpenMC cannot be compiled.
+
+### Building the C++ Library
+```bash
+# Configure with CMake (from build/ directory)
+cmake .. -DOPENMC_USE_MPI=ON -DOPENMC_USE_OPENMP=ON -DCMAKE_BUILD_TYPE=RelWithDebInfo
+
+# Available CMake options (all default OFF except OPENMC_USE_OPENMP and OPENMC_BUILD_TESTS):
+# -DOPENMC_USE_OPENMP=ON/OFF        # OpenMP parallelism
+# -DOPENMC_USE_MPI=ON/OFF           # MPI support
+# -DOPENMC_USE_DAGMC=ON/OFF         # CAD geometry support
+# -DOPENMC_USE_LIBMESH=ON/OFF       # Unstructured mesh
+# -DOPENMC_ENABLE_PROFILE=ON/OFF    # Profiling flags
+# -DOPENMC_ENABLE_COVERAGE=ON/OFF   # Coverage analysis
+
+# Build
+make -j
+
+# C++ unit tests (uses Catch2)
+ctest
+```
+
+### Python Development
+```bash
+# Install in development mode (requires building C++ library first)
+pip install -e .
+
+# Python tests (uses pytest)
+pytest tests/unit_tests/           # Fast unit tests
+pytest tests/regression_tests/     # Full regression suite (requires nuclear data)
+```
+
+### Nuclear Data Setup (CRITICAL for Running OpenMC)
+Most tests require the NNDC HDF5 nuclear cross-section library.
+
+**Important**: Check if `OPENMC_CROSS_SECTIONS` is already set in the user's
+environment before downloading, as many users already have nuclear data
+installed. Though do note that if this variable is present that it may point to
+different cross section data and that the NNDC data is required for tests to
+pass.
+
+**If not already configured, download and setup:**
+```bash
+# Download NNDC HDF5 cross section library (~800 MB compressed)
+wget -q -O - https://anl.box.com/shared/static/teaup95cqv8s9nn56hfn7ku8mmelr95p.xz | tar -C $HOME -xJ
+
+# Set environment variable (add to ~/.bashrc or ~/.zshrc for persistence)
+export OPENMC_CROSS_SECTIONS=$HOME/nndc_hdf5/cross_sections.xml
+```
+
+**Alternative**: Use the provided download script (checks if data exists before downloading):
+```bash
+bash tools/ci/download-xs.sh  # Downloads both NNDC HDF5 and ENDF/B-VII.1 data
+```
+
+Without this data, regression tests will fail with "No cross_sections.xml file
+found" errors, or, in the case that alternative cross section data is configured
+the tests will execute but will not pass. The `cross_sections.xml` file is an
+index listing paths to individual HDF5 nuclear data files for each nuclide.
+
+## Testing Expectations
+
+### Environment Requirements
+
+  - **Data**: As described above, OpenMC's test suite requires OpenMC to be configured with NNDC data.
+  - **OpenMP Settings**: OpenMC's tests may fail is more than two OpenMP threads are used. The environment variable `OMP_NUM_THREADS=2` should be set to avoid sporadic test failures.
+  - **Executable configuration**: The OpenMC executable should compiled with debug symbols enabled.
+
+### C++ Tests
+Located in `tests/cpp_unit_tests/`, use Catch2 framework. Run via `ctest` after building with `-DOPENMC_BUILD_TESTS=ON`.
+
+### Python Unit Tests
+Located in `tests/unit_tests/`, these are fast, standalone tests that verify Python API functionality without running full simulations. Use standard pytest patterns:
+
+**Categories**:
+- **API validation**: Test object creation, property setters/getters, XML serialization (e.g., `test_material.py`, `test_cell.py`, `test_source.py`)
+- **Data processing**: Test nuclear data handling, cross sections, depletion chains (e.g., `test_data_neutron.py`, `test_deplete_chain.py`)
+- **Library bindings**: Test `openmc.lib` ctypes interface with `model.init_lib()`/`model.finalize_lib()` (e.g., `test_lib.py`)
+- **Geometry operations**: Test bounding boxes, containment, lattice generation (e.g., `test_bounding_box.py`, `test_lattice.py`)
+
+**Common patterns**:
+- Use fixtures from `tests/unit_tests/conftest.py` (e.g., `uo2`, `water`, `sphere_model`)
+- Test invalid inputs with `pytest.raises(ValueError)` or `pytest.raises(TypeError)`
+- Use `run_in_tmpdir` fixture for tests that create files
+- Tests with `openmc.lib` require calling `model.init_lib()` in try/finally with `model.finalize_lib()`
+
+**Example**:
+```python
+def test_material_properties():
+    m = openmc.Material()
+    m.add_nuclide('U235', 1.0)
+    assert 'U235' in m.nuclides
+
+    with pytest.raises(TypeError):
+        m.add_nuclide('H1', '1.0')  # Invalid type
+```
+
+Unit tests should be fast. For tests requiring simulation output, use regression tests instead.
+
+### Python Regression Tests
+Regression tests compare OpenMC output against reference data. **Prefer using existing models from `openmc.examples` or those found in tests/unit_tests/conftest.py** (like `pwr_pin_cell()`, `pwr_assembly()`, `slab_mg()`) rather than building from scratch.
+
+**Test Harness Types** (in `tests/testing_harness.py`):
+- **PyAPITestHarness**: Standard harness for Python API tests. Compares `inputs_true.dat` (XML hash) and `results_true.dat` (statepoint k-eff and tally values). Requires `model.xml` generation.
+- **HashedPyAPITestHarness**: Like PyAPITestHarness but hashes the results for compact comparison
+- **TolerantPyAPITestHarness**: For tests with floating-point non-associativity (e.g., random ray solver with single precision). Uses relative tolerance comparisons.
+- **WeightWindowPyAPITestHarness**: Compares weight window bounds from `weight_windows.h5`
+- **CollisionTrackTestHarness**: Compares collision track data from `collision_track.h5` against `collision_track_true.h5`
+- **TestHarness**: Base harness for XML-based tests (no Python model building)
+- **PlotTestHarness**: Compares plot output files (PNG or voxel HDF5)
+- **CMFDTestHarness**: Specialized for CMFD acceleration tests
+- **ParticleRestartTestHarness**: Tests particle restart functionality
+
+Almost all cases use either `PyAPITestHarness` or `HashedPyAPITestHarness`
+
+**Example Test**:
+```python
+from openmc.examples import pwr_pin_cell
+from tests.testing_harness import PyAPITestHarness
+
+def test_my_feature():
+    model = pwr_pin_cell()
+    model.settings.particles = 1000  # Modify to exercise feature
+    harness = PyAPITestHarness('statepoint.10.h5', model)
+    harness.main()
+```
+
+**Workflow**: Create `test.py` and `__init__.py` in `tests/regression_tests/my_test/`, run `pytest --update` to generate reference files (`inputs_true.dat`, `results_true.dat`, etc.), then verify with `pytest` without `--update`. Test results should be generated with a debug build (`-DCMAKE_BUILD_TYPE=Debug`)
+
+**Critical**: When modifying OpenMC code, regenerate affected test references with `pytest --update` and commit updated reference files.
+
+### Test Configuration
+
+`pytest.ini` sets: `python_files = test*.py`, `python_classes = NoThanks` (disables class-based test collection).
+
+### Testing Options
+
+For builds of OpenMC with MPI enabled, the `--mpi` flag should be passed to the test suite to ensure that appropriate tests are executed using two MPI processes.
+
+The entire test suite can be executed with OpenMC running in event-based mode (instead of the default history-based mode) by providing the `--event` flag to the `pytest` command.
+
+## Cross-Language Boundaries
+
+The C API (defined in `include/openmc/capi.h`) exposes C++ functionality to Python via ctypes bindings in `openmc/lib/`. Example:
+```cpp
+// C++ API in capi.h
+extern "C" int openmc_run();
+
+// Python binding in openmc/lib/core.py
+_dll.openmc_run.restype = c_int
+def run():
+    _dll.openmc_run()
+```
+
+When modifying C++ public APIs, update corresponding ctypes signatures in `openmc/lib/*.py`.
+
+## Code Style & Conventions
+
+### C++ Style (enforced by .clang-format)
+  OpenMC generally tries to follow C++ core guidelines where possible
+  (https://isocpp.github.io/CppCoreGuidelines/CppCoreGuidelines) and follow
+  modern C++ practices (e.g. RAII) whenever possible.
+
+- **Naming**:
+  - Classes: `CamelCase` (e.g., `HexLattice`)
+  - Functions/methods: `snake_case` (e.g., `get_indices`)
+  - Variables: `snake_case` with trailing underscore for class members (e.g., `n_particles_`, `energy_`)
+  - Constants: `UPPER_SNAKE_CASE` (e.g., `SQRT_PI`)
+- **Namespaces**: All code in `openmc::` namespace, global state in sub-namespaces
+- **Include order**: Related header first, then C/C++ stdlib, third-party libs, local headers
+- **Comments**: C++-style (`//`) only, never C-style (`/* */`)
+- **Standard**: C++17 features allowed
+- **Formatting**: Run `clang-format` (version 15) before committing; install via `tools/dev/install-commit-hooks.sh`
+
+### Python Style
+- **PEP8** compliant
+- **Docstrings**: numpydoc format for all public functions/methods
+- **Type hints**: Use sparingly, primarily for complex signatures
+- **Path handling**: Use `pathlib.Path` for filesystem operations, accept `str | os.PathLike` in function arguments
+- **Dependencies**: Core dependencies only (numpy, scipy, h5py, pandas, matplotlib, lxml, ipython, uncertainties, setuptools, endf). Other packages must be optional
+- **Python version**: Minimum 3.11 (as of Nov 2025)
+
+### ID Management Pattern (Python)
+When creating geometry objects, IDs can be auto-assigned or explicit:
+```python
+# Auto-assigned ID
+cell = openmc.Cell()  # Gets next available ID
+
+# Explicit ID
+cell = openmc.Cell(id=10)  # Warning if ID already used
+
+# Reset all IDs (useful in test fixtures)
+openmc.reset_auto_ids()
+```
+
+### Input Validation Pattern (Python)
+All setters use checkvalue functions:
+```python
+import openmc.checkvalue as cv
+
+@property
+def temperature(self):
+    return self._temperature
+
+@temperature.setter
+def temperature(self, temp):
+    cv.check_type('temperature', temp, Real)
+    cv.check_greater_than('temperature', temp, 0.0)
+    self._temperature = temp
+```
+
+### Working with HDF5 Files
+C++ uses custom HDF5 wrappers in `src/hdf5_interface.cpp`. Python uses h5py directly. Statepoint format version is `VERSION_STATEPOINT` in `include/openmc/constants.h`.
+
+### Conditional Compilation
+Check for optional features:
+```cpp
+#ifdef OPENMC_MPI
+  // MPI-specific code
+#endif
+
+#ifdef OPENMC_DAGMC
+  // DAGMC-specific code
+#endif
+```
+
+## Documentation
+
+- **User docs**: Sphinx documentation in `docs/source/` hosted at https://docs.openmc.org
+- **C++ docs**: Doxygen-style comments with `\brief`, `\param` tags
+- **Python docs**: numpydoc format docstrings
+
+## Common Pitfalls
+
+1. **Forgetting nuclear data**: Tests fail without `OPENMC_CROSS_SECTIONS` environment variable
+2. **ID conflicts**: Python objects with duplicate IDs trigger `IDWarning`, use `reset_auto_ids()` between tests
+3. **MPI builds**: Code must work with and without MPI; use `#ifdef OPENMC_MPI` guards
+4. **Path handling**: Use `pathlib.Path` in new Python code, not `os.path`
+5. **Clang-format version**: CI uses version 15; other versions may produce different formatting

From a62e754bbb77646a81bcbe2dd6bcb58e9686286d Mon Sep 17 00:00:00 2001
From: pranav <pranav8iisc@gmail.com>
Date: Thu, 11 Dec 2025 09:24:28 +0530
Subject: [PATCH 2456/2654] Add user documentation for DAGMCUniverse
 synchronization (#3674)

Co-authored-by: Patrick Shriwise <pshriwise@gmail.com>
---
 docs/source/usersguide/geometry.rst | 85 +++++++++++++++++++++++++++++
 1 file changed, 85 insertions(+)

diff --git a/docs/source/usersguide/geometry.rst b/docs/source/usersguide/geometry.rst
index 8c68e4851..f51fbd73c 100644
--- a/docs/source/usersguide/geometry.rst
+++ b/docs/source/usersguide/geometry.rst
@@ -182,6 +182,8 @@ boundary condition.
 
 Periodic boundary conditions can be applied to pairs of planar surfaces.
 If there are only two periodic surfaces they will be matched automatically.
+
+
 Otherwise it is necessary to specify pairs explicitly using the
 :attr:`Surface.periodic_surface` attribute as in the following example::
 
@@ -530,6 +532,89 @@ UWUW and OpenMC material ID space will cause an error. To automatically resolve
 these ID overlaps, ``auto_ids`` can be set to ``True`` to append the UWUW
 material IDs to the OpenMC material ID space.
 
+
+Material overrides and differentiation
+--------------------------------------
+
+Programmatic access to DAGMC cell information for material overrides
+and differentiation requires synchronization of the DAGMC universe
+representation across Python and C-API::
+
+  model.init_lib()
+  model.sync_dagmc_universes()
+  model.finalize_lib()
+
+Upon completion of these steps, the :attr:`DAGMCUniverse.cells` attribute will
+be populated with :class:`DAGMCCell` proxy objects that represent the cells
+defined in the DAGMC model. The :class:`DAGMCCell` objects  will have
+:class:`openmc.Material`'s' applied according to the assignments upon
+initialization of the model. These materials can be replaced in the same manner
+as :class:`openmc.Cell` objects to override material assignments in the DAGMC
+model.
+
+Depletion with DAGMC geometry
+~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+
+The synchronization of :class:`openmc.DAGMCUniverse`'s is important for
+depletion calculations using DAGMC geometry when materials need to be
+differentiated to perform material burnup independently in each DAGMC cell. See
+:meth:`openmc.model.Model.differentiate_mats`.
+
+Material overrides
+~~~~~~~~~~~~~~~~~~
+
+OpenMC supports overriding material assignments defined inside a DAGMC HDF5
+model so that CAD-assigned materials can be replaced by :class:`openmc.Material`
+objects. This is useful when the CAD geometry provides the shape but OpenMC
+materials (specific nuclide content, densities, or depletion behavior) are
+required.
+
+
+Replacing materials by name
+^^^^^^^^^^^^^^^^^^^^^^^^^^^
+
+If a DAGMC file includes material name tags, you can replace all cells that
+reference a particular name with an :class:`openmc.Material` using
+:meth:`~openmc.DAGMCUniverse.replace_material_assignment`::
+
+  import openmc
+
+  dag_univ = openmc.DAGMCUniverse('dagmc.h5m')
+
+  fuel = openmc.Material(name='fuel')
+  fuel.add_nuclide('U235', 0.05)
+  fuel.add_nuclide('U238', 0.95)
+  fuel.set_density('g/cm3', 10.5)
+
+  dag_univ.replace_material_assignment('Fuel', fuel)
+
+This lets you keep CAD geometry while adopting OpenMC material definitions.
+
+Per-cell material overrides
+^^^^^^^^^^^^^^^^^^^^^^^^^^^
+
+To assign overrides without initializing :class:`openmc.Model`, the
+:meth:`openmc.DAGMCUniverse.add_material_override` method can be used to assign
+materials to particular DAGMC cells. The method accepts either an integer cell
+ID::
+
+  dag_univ = openmc.DAGMCUniverse('dagmc.h5m')
+
+  enriched = openmc.Material(name='fuel_enriched')
+  enriched.add_nuclide('U235', 0.10)
+  enriched.add_nuclide('U238', 0.90)
+  enriched.set_density('g/cm3', 10.5)
+
+  dag_univ.add_material_override(1, enriched)
+
+In the case that the :class:`openmc.DAGMCUniverse` has already been synchronized,
+a :class:`openmc.DAGMCCell` object can also be provide to assign the material.
+
+Overrides are written to the `<material_overrides>` element of the
+:ref:`<dagmc_universe> <dagmc_element>` XML element so the C++ core can apply
+them on initialization.
+
+
 .. _Direct Accelerated Geometry Monte Carlo: https://svalinn.github.io/DAGMC/
 .. _University of Wisconsin Unified Workflow: https://svalinn.github.io/DAGMC/usersguide/uw2.html
 

From 5c4121efd2ad6f2ef2b3bc394157a4eb6d9a1a73 Mon Sep 17 00:00:00 2001
From: GuySten <62616591+GuySten@users.noreply.github.com>
Date: Fri, 12 Dec 2025 06:01:10 +0200
Subject: [PATCH 2457/2654] Fix hdf5 source_bank struct size. (#3676)

---
 include/openmc/bank_io.h                      |  16 ++++++------
 src/collision_track.cpp                       |   4 +--
 src/state_point.cpp                           |  23 +++++++++++-------
 .../surface_source/surface_source_true.h5     | Bin 106144 -> 88096 bytes
 .../case-01/surface_source_true.h5            | Bin 33344 -> 29296 bytes
 .../case-02/surface_source_true.h5            | Bin 13896 -> 13588 bytes
 .../case-03/surface_source_true.h5            | Bin 33344 -> 29296 bytes
 .../case-04/surface_source_true.h5            | Bin 33344 -> 29296 bytes
 .../case-05/surface_source_true.h5            | Bin 33344 -> 29296 bytes
 .../case-06/surface_source_true.h5            | Bin 33344 -> 29296 bytes
 .../case-07/surface_source_true.h5            | Bin 33344 -> 29296 bytes
 .../case-08/surface_source_true.h5            | Bin 33344 -> 29296 bytes
 .../case-09/surface_source_true.h5            | Bin 33344 -> 29296 bytes
 .../case-10/surface_source_true.h5            | Bin 33344 -> 29296 bytes
 .../case-11/surface_source_true.h5            | Bin 5160 -> 6532 bytes
 .../case-12/surface_source_true.h5            | Bin 33344 -> 29296 bytes
 .../case-13/surface_source_true.h5            | Bin 33344 -> 29296 bytes
 .../case-14/surface_source_true.h5            | Bin 33344 -> 29296 bytes
 .../case-15/surface_source_true.h5            | Bin 2144 -> 2144 bytes
 .../case-16/surface_source_true.h5            | Bin 33344 -> 29296 bytes
 .../case-17/surface_source_true.h5            | Bin 2144 -> 2144 bytes
 .../case-18/surface_source_true.h5            | Bin 2144 -> 2144 bytes
 .../case-19/surface_source_true.h5            | Bin 2144 -> 2144 bytes
 .../case-20/surface_source_true.h5            | Bin 33344 -> 29296 bytes
 .../case-21/surface_source_true.h5            | Bin 2144 -> 2144 bytes
 .../case-a01/surface_source_true.h5           | Bin 6720 -> 7792 bytes
 26 files changed, 25 insertions(+), 18 deletions(-)

diff --git a/include/openmc/bank_io.h b/include/openmc/bank_io.h
index 90ffd820f..418ec111f 100644
--- a/include/openmc/bank_io.h
+++ b/include/openmc/bank_io.h
@@ -16,8 +16,9 @@
 namespace openmc {
 
 template<typename SiteType>
-void write_bank_dataset(const char* dataset_name, hid_t group_id,
-  span<SiteType> bank, const vector<int64_t>& bank_index, hid_t banktype
+void write_bank_dataset(
+  const char* dataset_name, hid_t group_id, span<SiteType> bank,
+  const vector<int64_t>& bank_index, hid_t membanktype, hid_t filebanktype
 #ifdef OPENMC_MPI
   ,
   MPI_Datatype mpi_dtype
@@ -30,8 +31,8 @@ void write_bank_dataset(const char* dataset_name, hid_t group_id,
 #ifdef PHDF5
   hsize_t dims[] {static_cast<hsize_t>(dims_size)};
   hid_t dspace = H5Screate_simple(1, dims, nullptr);
-  hid_t dset = H5Dcreate(group_id, dataset_name, banktype, dspace, H5P_DEFAULT,
-    H5P_DEFAULT, H5P_DEFAULT);
+  hid_t dset = H5Dcreate(group_id, dataset_name, filebanktype, dspace,
+    H5P_DEFAULT, H5P_DEFAULT, H5P_DEFAULT);
 
   hsize_t count[] {static_cast<hsize_t>(count_size)};
   hid_t memspace = H5Screate_simple(1, count, nullptr);
@@ -42,7 +43,7 @@ void write_bank_dataset(const char* dataset_name, hid_t group_id,
   hid_t plist = H5Pcreate(H5P_DATASET_XFER);
   H5Pset_dxpl_mpio(plist, H5FD_MPIO_COLLECTIVE);
 
-  H5Dwrite(dset, banktype, memspace, dspace, plist, bank.data());
+  H5Dwrite(dset, membanktype, memspace, dspace, plist, bank.data());
 
   H5Sclose(dspace);
   H5Sclose(memspace);
@@ -52,7 +53,7 @@ void write_bank_dataset(const char* dataset_name, hid_t group_id,
   if (mpi::master) {
     hsize_t dims[] {static_cast<hsize_t>(dims_size)};
     hid_t dspace = H5Screate_simple(1, dims, nullptr);
-    hid_t dset = H5Dcreate(group_id, dataset_name, banktype, dspace,
+    hid_t dset = H5Dcreate(group_id, dataset_name, filebanktype, dspace,
       H5P_DEFAULT, H5P_DEFAULT, H5P_DEFAULT);
 
 #ifdef OPENMC_MPI
@@ -75,7 +76,8 @@ void write_bank_dataset(const char* dataset_name, hid_t group_id,
       H5Sselect_hyperslab(
         dspace_rank, H5S_SELECT_SET, start, nullptr, count, nullptr);
 
-      H5Dwrite(dset, banktype, memspace, dspace_rank, H5P_DEFAULT, bank.data());
+      H5Dwrite(
+        dset, membanktype, memspace, dspace_rank, H5P_DEFAULT, bank.data());
 
       H5Sclose(memspace);
       H5Sclose(dspace_rank);
diff --git a/src/collision_track.cpp b/src/collision_track.cpp
index 75e56574a..03cbc32b7 100644
--- a/src/collision_track.cpp
+++ b/src/collision_track.cpp
@@ -78,10 +78,10 @@ void write_collision_track_bank(hid_t group_id,
   hid_t banktype = h5_collision_track_banktype();
 #ifdef OPENMC_MPI
   write_bank_dataset("collision_track_bank", group_id, collision_track_bank,
-    bank_index, banktype, mpi::collision_track_site);
+    bank_index, banktype, banktype, mpi::collision_track_site);
 #else
   write_bank_dataset("collision_track_bank", group_id, collision_track_bank,
-    bank_index, banktype);
+    bank_index, banktype, banktype);
 #endif
 
   H5Tclose(banktype);
diff --git a/src/state_point.cpp b/src/state_point.cpp
index 47296da3a..8ccebeb05 100644
--- a/src/state_point.cpp
+++ b/src/state_point.cpp
@@ -554,7 +554,7 @@ extern "C" int openmc_statepoint_load(const char* filename)
   return 0;
 }
 
-hid_t h5banktype()
+hid_t h5banktype(bool memory)
 {
   // Create compound type for position
   hid_t postype = H5Tcreate(H5T_COMPOUND, sizeof(struct Position));
@@ -569,7 +569,10 @@ hid_t h5banktype()
   // - openmc/statepoint.py
   // - docs/source/io_formats/statepoint.rst
   // - docs/source/io_formats/source.rst
-  hid_t banktype = H5Tcreate(H5T_COMPOUND, sizeof(struct SourceSite));
+  auto n = sizeof(SourceSite);
+  if (!memory)
+    n = 2 * sizeof(struct Position) + 3 * sizeof(double) + 3 * sizeof(int);
+  hid_t banktype = H5Tcreate(H5T_COMPOUND, n);
   H5Tinsert(banktype, "r", HOFFSET(SourceSite, r), postype);
   H5Tinsert(banktype, "u", HOFFSET(SourceSite, u), postype);
   H5Tinsert(banktype, "E", HOFFSET(SourceSite, E), H5T_NATIVE_DOUBLE);
@@ -641,17 +644,19 @@ void write_h5_source_point(const char* filename, span<SourceSite> source_bank,
 void write_source_bank(hid_t group_id, span<SourceSite> source_bank,
   const vector<int64_t>& bank_index)
 {
-  hid_t banktype = h5banktype();
+  hid_t membanktype = h5banktype(true);
+  hid_t filebanktype = h5banktype(false);
 
 #ifdef OPENMC_MPI
-  write_bank_dataset("source_bank", group_id, source_bank, bank_index, banktype,
-    mpi::source_site);
+  write_bank_dataset("source_bank", group_id, source_bank, bank_index,
+    membanktype, filebanktype, mpi::source_site);
 #else
-  write_bank_dataset(
-    "source_bank", group_id, source_bank, bank_index, banktype);
+  write_bank_dataset("source_bank", group_id, source_bank, bank_index,
+    membanktype, filebanktype);
 #endif
 
-  H5Tclose(banktype);
+  H5Tclose(membanktype);
+  H5Tclose(filebanktype);
 }
 
 // Determine member names of a compound HDF5 datatype
@@ -672,7 +677,7 @@ std::string dtype_member_names(hid_t dtype_id)
 void read_source_bank(
   hid_t group_id, vector<SourceSite>& sites, bool distribute)
 {
-  hid_t banktype = h5banktype();
+  hid_t banktype = h5banktype(true);
 
   // Open the dataset
   hid_t dset = H5Dopen(group_id, "source_bank", H5P_DEFAULT);
diff --git a/tests/regression_tests/surface_source/surface_source_true.h5 b/tests/regression_tests/surface_source/surface_source_true.h5
index 2c2a19038fc1b6d9c7785e8a7f591e9e5c7fd959..d343d12aed654f2da53310c5943c20d8bd85afb9 100644
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diff --git a/tests/regression_tests/surface_source_write/case-20/surface_source_true.h5 b/tests/regression_tests/surface_source_write/case-20/surface_source_true.h5
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diff --git a/tests/regression_tests/surface_source_write/case-21/surface_source_true.h5 b/tests/regression_tests/surface_source_write/case-21/surface_source_true.h5
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From 1b5033dab4e92d2b99bdcc1960c0bc954dae56cc Mon Sep 17 00:00:00 2001
From: GuySten <62616591+GuySten@users.noreply.github.com>
Date: Fri, 12 Dec 2025 08:21:46 +0200
Subject: [PATCH 2458/2654] IFP creates fatal error in all run modes except
 eigenvalue. (#3681)

---
 src/tallies/tally.cpp | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/src/tallies/tally.cpp b/src/tallies/tally.cpp
index 9daeb1d69..6eef1da9c 100644
--- a/src/tallies/tally.cpp
+++ b/src/tallies/tally.cpp
@@ -215,7 +215,7 @@ Tally::Tally(pugi::xml_node node)
                       "number of inactive cycles.");
         }
         settings::ifp_on = true;
-      } else {
+      } else if (settings::run_mode == RunMode::FIXED_SOURCE) {
         fatal_error(
           "Iterated Fission Probability can only be used in an eigenvalue "
           "calculation.");

From bbfa18d72c34d8710b5f4f3fa1fff54f5248fcc5 Mon Sep 17 00:00:00 2001
From: Kevin Sawatzky <66632997+nuclearkevin@users.noreply.github.com>
Date: Fri, 12 Dec 2025 03:29:43 -0600
Subject: [PATCH 2459/2654] Add a command-line argument for output verbosity
 (#3680)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 docs/source/usersguide/scripts.rst |  1 +
 man/man1/openmc.1                  |  3 +++
 src/finalize.cpp                   |  2 +-
 src/initialize.cpp                 | 13 ++++++++++++-
 src/output.cpp                     |  1 +
 src/settings.cpp                   |  6 ++++--
 6 files changed, 22 insertions(+), 4 deletions(-)

diff --git a/docs/source/usersguide/scripts.rst b/docs/source/usersguide/scripts.rst
index 0879d63ef..eb0abeb0d 100644
--- a/docs/source/usersguide/scripts.rst
+++ b/docs/source/usersguide/scripts.rst
@@ -48,6 +48,7 @@ flags:
                        restart file
 -s, --threads N        Run with *N* OpenMP threads
 -t, --track            Write tracks for all particles (up to max_tracks)
+-q, --verbosity V      Set the output verbosity to *V*
 -v, --version          Show version information
 -h, --help             Show help message
 
diff --git a/man/man1/openmc.1 b/man/man1/openmc.1
index 7826a759a..30e8b2ce4 100644
--- a/man/man1/openmc.1
+++ b/man/man1/openmc.1
@@ -39,6 +39,9 @@ Use \fIN\fP OpenMP threads.
 .B "\-t\fR, \fP\-\-track"
 Write tracks for all particles (up to max_tracks).
 .TP
+.BI \-q " V" "\fR,\fP \-\-verbosity" " V"
+Set the output verbosity to \fIV\fP.
+.TP
 .B "\-v\fR, \fP\-\-version"
 Show version information.
 .TP
diff --git a/src/finalize.cpp b/src/finalize.cpp
index 9ee943409..344eaa1a0 100644
--- a/src/finalize.cpp
+++ b/src/finalize.cpp
@@ -142,7 +142,7 @@ int openmc_finalize()
   settings::uniform_source_sampling = false;
   settings::ufs_on = false;
   settings::urr_ptables_on = true;
-  settings::verbosity = 7;
+  settings::verbosity = -1;
   settings::weight_cutoff = 0.25;
   settings::weight_survive = 1.0;
   settings::weight_windows_file.clear();
diff --git a/src/initialize.cpp b/src/initialize.cpp
index e2a5b9743..a2269ed1e 100644
--- a/src/initialize.cpp
+++ b/src/initialize.cpp
@@ -226,6 +226,15 @@ int parse_command_line(int argc, char* argv[])
         i += 1;
         settings::n_particles = std::stoll(argv[i]);
 
+      } else if (arg == "-q" || arg == "--verbosity") {
+        i += 1;
+        settings::verbosity = std::stoi(argv[i]);
+        if (settings::verbosity > 10 || settings::verbosity < 1) {
+          auto msg = fmt::format("Invalid verbosity: {}.", settings::verbosity);
+          strcpy(openmc_err_msg, msg.c_str());
+          return OPENMC_E_INVALID_ARGUMENT;
+        }
+
       } else if (arg == "-e" || arg == "--event") {
         settings::event_based = true;
       } else if (arg == "-r" || arg == "--restart") {
@@ -376,8 +385,10 @@ bool read_model_xml()
   auto settings_root = root.child("settings");
 
   // Verbosity
-  if (check_for_node(settings_root, "verbosity")) {
+  if (check_for_node(settings_root, "verbosity") && settings::verbosity == -1) {
     settings::verbosity = std::stoi(get_node_value(settings_root, "verbosity"));
+  } else if (settings::verbosity == -1) {
+    settings::verbosity = 7;
   }
 
   // To this point, we haven't displayed any output since we didn't know what
diff --git a/src/output.cpp b/src/output.cpp
index 0a14e8843..80e2b10ab 100644
--- a/src/output.cpp
+++ b/src/output.cpp
@@ -281,6 +281,7 @@ void print_usage()
       "  -t, --track            Write tracks for all particles (up to "
       "max_tracks)\n"
       "  -e, --event            Run using event-based parallelism\n"
+      "  -q, --verbosity        Output verbosity\n"
       "  -v, --version          Show version information\n"
       "  -h, --help             Show this message\n");
   }
diff --git a/src/settings.cpp b/src/settings.cpp
index d47e9b5e6..5b472468f 100644
--- a/src/settings.cpp
+++ b/src/settings.cpp
@@ -145,7 +145,7 @@ int trace_gen;
 int64_t trace_particle;
 vector<array<int, 3>> track_identifiers;
 int trigger_batch_interval {1};
-int verbosity {7};
+int verbosity {-1};
 double weight_cutoff {0.25};
 double weight_survive {1.0};
 
@@ -396,8 +396,10 @@ void read_settings_xml()
   xml_node root = doc.document_element();
 
   // Verbosity
-  if (check_for_node(root, "verbosity")) {
+  if (check_for_node(root, "verbosity") && verbosity == -1) {
     verbosity = std::stoi(get_node_value(root, "verbosity"));
+  } else if (verbosity == -1) {
+    verbosity = 7;
   }
 
   // To this point, we haven't displayed any output since we didn't know what

From d1183566383e38e96c97db195613c407f9a5c091 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Wed, 17 Dec 2025 00:10:07 -0600
Subject: [PATCH 2460/2654] Use MeshBase method to check replicated. Add header
 for replicated mesh (#3689)

---
 src/mesh.cpp | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/src/mesh.cpp b/src/mesh.cpp
index 610d057cf..c3a2d4581 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -51,6 +51,7 @@
 #include "libmesh/mesh_modification.h"
 #include "libmesh/mesh_tools.h"
 #include "libmesh/numeric_vector.h"
+#include "libmesh/replicated_mesh.h"
 #endif
 
 #ifdef OPENMC_DAGMC_ENABLED
@@ -3435,7 +3436,7 @@ LibMesh::LibMesh(hid_t group) : UnstructuredMesh(group)
 // create the mesh from a pointer to a libMesh Mesh
 LibMesh::LibMesh(libMesh::MeshBase& input_mesh, double length_multiplier)
 {
-  if (!dynamic_cast<libMesh::ReplicatedMesh*>(&input_mesh)) {
+  if (!input_mesh.is_replicated()) {
     fatal_error("At present LibMesh tallies require a replicated mesh. Please "
                 "ensure 'input_mesh' is a libMesh::ReplicatedMesh.");
   }

From e0eb91b9551ecc97c7027b4dfe242fc63e4eedde Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Wed, 17 Dec 2025 21:44:53 +0100
Subject: [PATCH 2461/2654] using id_map in model.plot for more efficient
 plotting (#3678)

---
 openmc/model/model.py          | 195 +++++++++++++++------------------
 openmc/plots.py                |  82 +++++++++++++-
 tests/unit_tests/test_model.py |  42 +++++++
 3 files changed, 211 insertions(+), 108 deletions(-)

diff --git a/openmc/model/model.py b/openmc/model/model.py
index a9aaa481d..6e4c1c585 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -23,7 +23,7 @@ from openmc.dummy_comm import DummyCommunicator
 from openmc.executor import _process_CLI_arguments
 from openmc.checkvalue import check_type, check_value, PathLike
 from openmc.exceptions import InvalidIDError
-from openmc.plots import add_plot_params, _BASIS_INDICES
+from openmc.plots import add_plot_params, _BASIS_INDICES, id_map_to_rgb
 from openmc.utility_funcs import change_directory
 
 
@@ -1114,13 +1114,12 @@ class Model:
         color_by: str = 'cell',
         colors: dict | None = None,
         seed: int | None = None,
-        openmc_exec: PathLike = 'openmc',
         axes=None,
         legend: bool = False,
         axis_units: str = 'cm',
         outline: bool | str = False,
         show_overlaps: bool = False,
-        overlap_color: Sequence[int] | str | None = None,
+        overlap_color: Sequence[int] | str = (255, 0, 0),
         n_samples: int | None = None,
         plane_tolerance: float = 1.,
         legend_kwargs: dict | None = None,
@@ -1132,7 +1131,6 @@ class Model:
 
         .. versionadded:: 0.15.1
         """
-        import matplotlib.image as mpimg
         import matplotlib.patches as mpatches
         import matplotlib.pyplot as plt
 
@@ -1162,125 +1160,108 @@ class Model:
         y_min = (origin[y] - 0.5*width[1]) * axis_scaling_factor[axis_units]
         y_max = (origin[y] + 0.5*width[1]) * axis_scaling_factor[axis_units]
 
-        # Determine whether any materials contains macroscopic data and if so,
-        # set energy mode accordingly
-        _energy_mode = self.settings._energy_mode
-        for mat in self.geometry.get_all_materials().values():
-            if mat._macroscopic is not None:
-                self.settings.energy_mode = 'multi-group'
-                break
+        # Get ID map from the C API
+        id_map = self.id_map(
+            origin=origin,
+            width=width,
+            pixels=pixels,
+            basis=basis,
+            color_overlaps=show_overlaps
+        )
 
-        with TemporaryDirectory() as tmpdir:
-            _plot_seed = self.settings.plot_seed
-            if seed is not None:
-                self.settings.plot_seed = seed
-
-            # Create plot object matching passed arguments
+        # Generate colors if not provided
+        if colors is None and seed is not None:
+            # Use the colorize method to generate random colors
             plot = openmc.SlicePlot()
-            plot.origin = origin
-            plot.width = width
-            plot.pixels = pixels
-            plot.basis = basis
             plot.color_by = color_by
-            plot.show_overlaps = show_overlaps
-            if overlap_color is not None:
-                plot.overlap_color = overlap_color
-            if colors is not None:
-                plot.colors = colors
-            self.plots.append(plot)
+            plot.colorize(self.geometry, seed=seed)
+            colors = plot.colors
 
-            # Run OpenMC in geometry plotting mode
-            self.plot_geometry(False, cwd=tmpdir, openmc_exec=openmc_exec)
+        # Convert ID map to RGB image
+        img = id_map_to_rgb(
+            id_map=id_map, 
+            color_by=color_by, 
+            colors=colors,
+            overlap_color=overlap_color
+        )
 
-            # Undo changes to model
-            self.plots.pop()
-            self.settings._plot_seed = _plot_seed
-            self.settings._energy_mode = _energy_mode
+        # Create a figure sized such that the size of the axes within
+        # exactly matches the number of pixels specified
+        if axes is None:
+            px = 1/plt.rcParams['figure.dpi']
+            fig, axes = plt.subplots()
+            axes.set_xlabel(xlabel)
+            axes.set_ylabel(ylabel)
+            params = fig.subplotpars
+            width_px = pixels[0]*px/(params.right - params.left)
+            height_px = pixels[1]*px/(params.top - params.bottom)
+            fig.set_size_inches(width_px, height_px)
 
-            # Read image from file
-            img_path = Path(tmpdir) / f'plot_{plot.id}.png'
-            if not img_path.is_file():
-                img_path = img_path.with_suffix('.ppm')
-            img = mpimg.imread(str(img_path))
+        if outline:
+            # Combine R, G, B values into a single int for contour detection
+            rgb = (img * 256).astype(int)
+            image_value = (rgb[..., 0] << 16) + \
+                (rgb[..., 1] << 8) + (rgb[..., 2])
 
-            # Create a figure sized such that the size of the axes within
-            # exactly matches the number of pixels specified
-            if axes is None:
-                px = 1/plt.rcParams['figure.dpi']
-                fig, axes = plt.subplots()
-                axes.set_xlabel(xlabel)
-                axes.set_ylabel(ylabel)
-                params = fig.subplotpars
-                width = pixels[0]*px/(params.right - params.left)
-                height = pixels[1]*px/(params.top - params.bottom)
-                fig.set_size_inches(width, height)
+            # Set default arguments for contour()
+            if contour_kwargs is None:
+                contour_kwargs = {}
+            contour_kwargs.setdefault('colors', 'k')
+            contour_kwargs.setdefault('linestyles', 'solid')
+            contour_kwargs.setdefault('algorithm', 'serial')
 
-            if outline:
-                # Combine R, G, B values into a single int
-                rgb = (img * 256).astype(int)
-                image_value = (rgb[..., 0] << 16) + \
-                    (rgb[..., 1] << 8) + (rgb[..., 2])
+            axes.contour(
+                image_value,
+                origin="upper",
+                levels=np.unique(image_value),
+                extent=(x_min, x_max, y_min, y_max),
+                **contour_kwargs
+            )
+            
+            # If only showing outline, set the axis limits and aspect explicitly
+            if outline == 'only':
+                axes.set_xlim(x_min, x_max)
+                axes.set_ylim(y_min, y_max)
+                axes.set_aspect('equal')
 
-                # Set default arguments for contour()
-                if contour_kwargs is None:
-                    contour_kwargs = {}
-                contour_kwargs.setdefault('colors', 'k')
-                contour_kwargs.setdefault('linestyles', 'solid')
-                contour_kwargs.setdefault('algorithm', 'serial')
+        # Add legend showing which colors represent which material or cell
+        if legend:
+            if colors is None or len(colors) == 0:
+                raise ValueError("Must pass 'colors' dictionary if you "
+                                 "are adding a legend via legend=True.")
 
-                axes.contour(
-                    image_value,
-                    origin="upper",
-                    levels=np.unique(image_value),
-                    extent=(x_min, x_max, y_min, y_max),
-                    **contour_kwargs
-                )
+            if color_by == "cell":
+                expected_key_type = openmc.Cell
+            else:
+                expected_key_type = openmc.Material
 
-            # add legend showing which colors represent which material
-            # or cell if that was requested
-            if legend:
-                if plot.colors == {}:
-                    raise ValueError("Must pass 'colors' dictionary if you "
-                                     "are adding a legend via legend=True.")
+            patches = []
+            for key, color in colors.items():
+                if isinstance(key, int):
+                    raise TypeError(
+                        "Cannot use IDs in colors dict for auto legend.")
+                elif not isinstance(key, expected_key_type):
+                    raise TypeError(
+                        "Color dict key type does not match color_by")
 
-                if color_by == "cell":
-                    expected_key_type = openmc.Cell
+                # this works whether we're doing cells or materials
+                label = key.name if key.name != '' else key.id
+
+                # matplotlib takes RGB on 0-1 scale rather than 0-255
+                if len(color) == 3 and not isinstance(color, str):
+                    scaled_color = (
+                        color[0]/255, color[1]/255, color[2]/255)
                 else:
-                    expected_key_type = openmc.Material
+                    scaled_color = color
 
-                patches = []
-                for key, color in plot.colors.items():
+                key_patch = mpatches.Patch(color=scaled_color, label=label)
+                patches.append(key_patch)
 
-                    if isinstance(key, int):
-                        raise TypeError(
-                            "Cannot use IDs in colors dict for auto legend.")
-                    elif not isinstance(key, expected_key_type):
-                        raise TypeError(
-                            "Color dict key type does not match color_by")
-
-                    # this works whether we're doing cells or materials
-                    label = key.name if key.name != '' else key.id
-
-                    # matplotlib takes RGB on 0-1 scale rather than 0-255. at
-                    # this point PlotBase has already checked that 3-tuple
-                    # based colors are already valid, so if the length is three
-                    # then we know it just needs to be converted to the 0-1
-                    # format.
-                    if len(color) == 3 and not isinstance(color, str):
-                        scaled_color = (
-                            color[0]/255, color[1]/255, color[2]/255)
-                    else:
-                        scaled_color = color
-
-                    key_patch = mpatches.Patch(color=scaled_color, label=label)
-                    patches.append(key_patch)
-
-                axes.legend(handles=patches, **legend_kwargs)
-
-            # Plot image and return the axes
-            if outline != 'only':
-                axes.imshow(img, extent=(x_min, x_max, y_min, y_max), **kwargs)
+            axes.legend(handles=patches, **legend_kwargs)
 
+        # Plot image and return the axes
+        if outline != 'only':
+            axes.imshow(img, extent=(x_min, x_max, y_min, y_max), **kwargs)
 
         if n_samples:
             # Sample external source particles
diff --git a/openmc/plots.py b/openmc/plots.py
index cb722abc6..8b67d5cac 100644
--- a/openmc/plots.py
+++ b/openmc/plots.py
@@ -1,4 +1,4 @@
-from collections.abc import Iterable, Mapping
+from collections.abc import Iterable, Mapping, Sequence
 from numbers import Integral, Real
 from pathlib import Path
 from textwrap import dedent
@@ -355,6 +355,86 @@ def voxel_to_vtk(voxel_file: PathLike, output: PathLike = 'plot.vti'):
     return output
 
 
+def id_map_to_rgb(
+    id_map: np.ndarray,
+    color_by: str = 'cell',
+    colors: dict | None = None,
+    overlap_color: Sequence[int] | str = (255, 0, 0)
+) -> np.ndarray:
+    """Convert ID map array to RGB image array.
+
+    Parameters
+    ----------
+    id_map : numpy.ndarray
+        Array with shape (v_pixels, h_pixels, 3) containing cell IDs,
+        cell instances, and material IDs
+    color_by : {'cell', 'material'}
+        Whether to color by cell or material
+    colors : dict, optional
+        Dictionary mapping cells/materials to colors
+    overlap_color : sequence of int or str, optional
+        Color to use for overlaps. Defaults to red (255, 0, 0).
+
+    Returns
+    -------
+    numpy.ndarray
+        RGB image array with shape (v_pixels, h_pixels, 3) with values
+        in range [0, 1] for matplotlib
+    """
+    # Initialize RGB array with white background (values between 0 and 1 for matplotlib)
+    img = np.ones(id_map.shape, dtype=float)
+    
+    # Get the appropriate index based on color_by
+    if color_by == 'cell':
+        id_index = 0  # Cell IDs are in the first channel
+    elif color_by == 'material':
+        id_index = 2  # Material IDs are in the third channel
+    else:
+        raise ValueError("color_by must be either 'cell' or 'material'")
+    
+    # Get all unique IDs in the plot
+    unique_ids = np.unique(id_map[:, :, id_index])
+    
+    # Generate default colors if not provided
+    if colors is None:
+        colors = {}
+    
+    # Convert colors dict to use IDs as keys
+    color_map = {}
+    for key, color in colors.items():
+        if isinstance(key, (openmc.Cell, openmc.Material)):
+            color_map[key.id] = color
+        else:
+            color_map[key] = color
+    
+    # Generate random colors for IDs not in color_map
+    rng = np.random.RandomState(1)
+    for uid in unique_ids:
+        if uid > 0 and uid not in color_map:
+            color_map[uid] = rng.randint(0, 256, (3,))
+    
+    # Apply colors to each pixel
+    for uid in unique_ids:
+        if uid == -1:  # Background/void
+            continue
+        elif uid == -3:  # Overlap (only present if color_overlaps was True)
+            if isinstance(overlap_color, str):
+                rgb = _SVG_COLORS[overlap_color.lower()]
+            else:
+                rgb = overlap_color
+            mask = id_map[:, :, id_index] == uid
+            img[mask] = np.array(rgb) / 255.0
+        elif uid in color_map:
+            color = color_map[uid]
+            if isinstance(color, str):
+                rgb = _SVG_COLORS[color.lower()]
+            else:
+                rgb = color
+            mask = id_map[:, :, id_index] == uid
+            img[mask] = np.array(rgb) / 255.0
+    
+    return img
+
 class PlotBase(IDManagerMixin):
     """
     Parameters
diff --git a/tests/unit_tests/test_model.py b/tests/unit_tests/test_model.py
index d553af53c..3846ba4fb 100644
--- a/tests/unit_tests/test_model.py
+++ b/tests/unit_tests/test_model.py
@@ -7,6 +7,7 @@ import pytest
 
 import openmc
 import openmc.lib
+from openmc.plots import id_map_to_rgb
 
 
 @pytest.fixture(scope='function')
@@ -996,3 +997,44 @@ def test_keff_search(run_in_tmpdir):
     # Check that total_batches property works
     assert result.total_batches == sum(result.batches)
     assert result.total_batches > 0
+
+
+def test_id_map_to_rgb():
+    """Test conversion of ID map to RGB image array."""
+    # Create a simple model
+    mat = openmc.Material()
+    mat.set_density('g/cm3', 1.0)
+    mat.add_nuclide('Li7', 1.0)
+
+    sphere = openmc.Sphere(r=5.0, boundary_type='vacuum')
+    cell = openmc.Cell(fill=mat, region=-sphere)
+    geometry = openmc.Geometry([cell])
+    settings = openmc.Settings(
+        batches=10, particles=100, run_mode='fixed source'
+    )
+    model = openmc.Model(geometry, settings=settings)
+
+    id_data = np.zeros((10, 10, 3), dtype=np.int32)
+    id_data[:, :, 0] = cell.id  # Cell IDs
+    id_data[:, :, 2] = mat.id   # Material IDs
+
+    # Test color_by with default colors
+    for color_by in ['cell', 'material']:
+        rgb = id_map_to_rgb(id_data, color_by=color_by)
+        assert rgb.shape == (10, 10, 3)
+        assert rgb.dtype == float
+        assert np.all((rgb >= 0) & (rgb <= 1))  # RGB values in [0, 1]
+
+    # Test with custom colors
+    colors = {cell.id: (255, 0, 0)}  # Red
+    rgb_custom = id_map_to_rgb(id_data, color_by='cell', colors=colors)
+    assert np.allclose(rgb_custom, [1.0, 0.0, 0.0])  # All pixels should be red
+
+    # Test with overlaps
+    id_data_overlap = id_data.copy()
+    id_data_overlap[5:, 5:, 0] = -3  # Mark some pixels as overlaps
+    rgb_overlap = id_map_to_rgb(
+        id_data_overlap, overlap_color=(0, 255, 0)
+    )
+    # Check that overlap region is green
+    assert np.allclose(rgb_overlap[5:, 5:], [0.0, 1.0, 0.0])

From a230b86128f58e093e4cba4f499efdfd5d90cdc9 Mon Sep 17 00:00:00 2001
From: GuySten <62616591+GuySten@users.noreply.github.com>
Date: Thu, 18 Dec 2025 17:56:43 +0200
Subject: [PATCH 2462/2654] Fix mcpl dependency in test (#3691)

---
 tests/unit_tests/test_collision_track.py | 2 ++
 1 file changed, 2 insertions(+)

diff --git a/tests/unit_tests/test_collision_track.py b/tests/unit_tests/test_collision_track.py
index 9bc6a8c15..25344a3bd 100644
--- a/tests/unit_tests/test_collision_track.py
+++ b/tests/unit_tests/test_collision_track.py
@@ -5,6 +5,7 @@ import openmc
 import pytest
 import h5py
 import numpy as np
+import shutil
 
 from tests.testing_harness import CollisionTrackTestHarness as ctt
 
@@ -109,6 +110,7 @@ def test_particle_location(run_in_tmpdir, model):
                 assert False
 
 
+@pytest.mark.skipif(shutil.which("mcpl-config") is None, reason="MCPL is not available.")
 def test_format_similarity(run_in_tmpdir, model):
     model.settings.collision_track = {"max_collisions": 200, "reactions": ['elastic'],
                                       "cell_ids": [1, 2], "mcpl": False}

From a2fd6cc57e7f0bce55b90e57e8d1a28d84bca5d4 Mon Sep 17 00:00:00 2001
From: Zoe Prieto <101403129+zoeprieto@users.noreply.github.com>
Date: Sat, 20 Dec 2025 01:56:13 -0300
Subject: [PATCH 2463/2654] Support rotation in MeshFilter (#3176)

Co-authored-by: Jonathan Shimwell <drshimwell@gmail.com>
Co-authored-by: Patrick Shriwise <pshriwise@gmail.com>
---
 include/openmc/tallies/filter_mesh.h          |   8 +
 openmc/filter.py                              |  43 +++
 openmc/lib/filter.py                          |  40 +++
 src/cell.cpp                                  |   2 +-
 src/tallies/filter_mesh.cpp                   |  92 +++++++
 src/weight_windows.cpp                        |   3 +-
 .../filter_rotations/__init__.py              |   0
 .../filter_rotations/inputs_true.dat          |  59 +++++
 .../filter_rotations/results_true.dat         | 244 ++++++++++++++++++
 .../regression_tests/filter_rotations/test.py |  72 ++++++
 tests/unit_tests/test_filter_mesh.py          |  26 ++
 tests/unit_tests/test_lib.py                  |   7 +
 12 files changed, 594 insertions(+), 2 deletions(-)
 create mode 100644 tests/regression_tests/filter_rotations/__init__.py
 create mode 100644 tests/regression_tests/filter_rotations/inputs_true.dat
 create mode 100644 tests/regression_tests/filter_rotations/results_true.dat
 create mode 100644 tests/regression_tests/filter_rotations/test.py

diff --git a/include/openmc/tallies/filter_mesh.h b/include/openmc/tallies/filter_mesh.h
index 4c9460d2e..c35a477fe 100644
--- a/include/openmc/tallies/filter_mesh.h
+++ b/include/openmc/tallies/filter_mesh.h
@@ -51,6 +51,12 @@ public:
 
   virtual bool translated() const { return translated_; }
 
+  virtual void set_rotation(const vector<double>& rotation);
+
+  virtual const vector<double>& rotation() const { return rotation_; }
+
+  virtual bool rotated() const { return rotated_; }
+
 protected:
   //----------------------------------------------------------------------------
   // Data members
@@ -58,6 +64,8 @@ protected:
   int32_t mesh_;            //!< Index of the mesh
   bool translated_ {false}; //!< Whether or not the filter is translated
   Position translation_ {0.0, 0.0, 0.0}; //!< Filter translation
+  bool rotated_ {false};    //!< Whether or not the filter is rotated
+  vector<double> rotation_; //!< Filter rotation
 };
 
 } // namespace openmc
diff --git a/openmc/filter.py b/openmc/filter.py
index 550146f85..39844798d 100644
--- a/openmc/filter.py
+++ b/openmc/filter.py
@@ -833,6 +833,25 @@ class MeshFilter(Filter):
     translation : Iterable of float
         This array specifies a vector that is used to translate (shift) the mesh
         for this filter
+    rotation : Iterable of float
+        This array specifies the angles in degrees about the x, y, and z axes
+        that the mesh should be rotated. The rotation applied is an intrinsic
+        rotation with specified Tait-Bryan angles. That is to say, if the angles
+        are :math:`(\phi, \theta, \psi)`, then the rotation matrix applied is
+        :math:`R_z(\psi) R_y(\theta) R_x(\phi)` or
+
+        .. math::
+
+           \left [ \begin{array}{ccc} \cos\theta \cos\psi & -\cos\phi \sin\psi
+           + \sin\phi \sin\theta \cos\psi & \sin\phi \sin\psi + \cos\phi
+           \sin\theta \cos\psi \\ \cos\theta \sin\psi & \cos\phi \cos\psi +
+           \sin\phi \sin\theta \sin\psi & -\sin\phi \cos\psi + \cos\phi
+           \sin\theta \sin\psi \\ -\sin\theta & \sin\phi \cos\theta & \cos\phi
+           \cos\theta \end{array} \right ]
+
+        A rotation matrix can also be specified directly by setting this
+        attribute to a nested list (or 2D numpy array) that specifies each
+        element of the matrix.
     bins : list of tuple
         A list of mesh indices for each filter bin, e.g. [(1, 1, 1), (2, 1, 1),
         ...]
@@ -845,6 +864,7 @@ class MeshFilter(Filter):
         self.mesh = mesh
         self.id = filter_id
         self._translation = None
+        self._rotation = None
 
     def __hash__(self):
         string = type(self).__name__ + '\n'
@@ -856,6 +876,7 @@ class MeshFilter(Filter):
         string += '{: <16}=\t{}\n'.format('\tMesh ID', self.mesh.id)
         string += '{: <16}=\t{}\n'.format('\tID', self.id)
         string += '{: <16}=\t{}\n'.format('\tTranslation', self.translation)
+        string += '{: <16}=\t{}\n'.format('\tRotation', self.rotation)
         return string
 
     @classmethod
@@ -879,6 +900,10 @@ class MeshFilter(Filter):
         if translation:
             out.translation = translation[()]
 
+        rotation = group.get('rotation')
+        if rotation:
+            out.rotation = rotation[()]
+
         return out
 
     @property
@@ -911,6 +936,15 @@ class MeshFilter(Filter):
         cv.check_length('mesh filter translation', t, 3)
         self._translation = np.asarray(t)
 
+    @property
+    def rotation(self):
+        return self._rotation
+
+    @rotation.setter
+    def rotation(self, rotation):
+        cv.check_length('mesh filter rotation', rotation, 3)
+        self._rotation = np.asarray(rotation)
+
     def can_merge(self, other):
         # Mesh filters cannot have more than one bin
         return False
@@ -996,6 +1030,8 @@ class MeshFilter(Filter):
         subelement.text = str(self.mesh.id)
         if self.translation is not None:
             element.set('translation', ' '.join(map(str, self.translation)))
+        if self.rotation is not None:
+            element.set('rotation', ' '.join(map(str, self.rotation.ravel())))
         return element
 
     @classmethod
@@ -1008,6 +1044,13 @@ class MeshFilter(Filter):
         translation = get_elem_list(elem, "translation", float) or []
         if translation:
             out.translation = translation
+
+        rotation = get_elem_list(elem, 'rotation', float) or []
+        if rotation:
+            if len(rotation) == 3:
+                out.rotation = rotation
+            elif len(rotation) == 9:
+                out.rotation = np.array(rotation).reshape(3, 3)
         return out
 
 
diff --git a/openmc/lib/filter.py b/openmc/lib/filter.py
index 55b681d89..5cf496107 100644
--- a/openmc/lib/filter.py
+++ b/openmc/lib/filter.py
@@ -97,6 +97,14 @@ _dll.openmc_mesh_filter_get_translation.errcheck = _error_handler
 _dll.openmc_mesh_filter_set_translation.argtypes = [c_int32, POINTER(c_double*3)]
 _dll.openmc_mesh_filter_set_translation.restype = c_int
 _dll.openmc_mesh_filter_set_translation.errcheck = _error_handler
+_dll.openmc_mesh_filter_get_rotation.argtypes = [c_int32, POINTER(c_double),
+    POINTER(c_size_t)]
+_dll.openmc_mesh_filter_get_rotation.restype = c_int
+_dll.openmc_mesh_filter_get_rotation.errcheck = _error_handler
+_dll.openmc_mesh_filter_set_rotation.argtypes = [
+    c_int32, POINTER(c_double), c_size_t]
+_dll.openmc_mesh_filter_set_rotation.restype = c_int
+_dll.openmc_mesh_filter_set_rotation.errcheck = _error_handler
 _dll.openmc_meshborn_filter_get_mesh.argtypes = [c_int32, POINTER(c_int32)]
 _dll.openmc_meshborn_filter_get_mesh.restype = c_int
 _dll.openmc_meshborn_filter_get_mesh.errcheck = _error_handler
@@ -393,6 +401,10 @@ class MeshFilter(Filter):
         Mesh used for the filter
     translation : Iterable of float
         3-D coordinates of the translation vector
+    rotation : Iterable of float
+        The rotation matrix or angles of the filter mesh. This can either be 
+        a fully specified 3 x 3 rotation matrix or an Iterable of length 3 
+        with the angles in degrees about the x, y, and z axes, respectively.
 
     """
     filter_type = 'mesh'
@@ -422,6 +434,34 @@ class MeshFilter(Filter):
     def translation(self, translation):
         _dll.openmc_mesh_filter_set_translation(self._index, (c_double*3)(*translation))
 
+    @property
+    def rotation(self):
+        rotation_data = np.zeros(12)
+        rot_size = c_size_t()
+
+        _dll.openmc_mesh_filter_get_rotation(
+            self._index, rotation_data.ctypes.data_as(POINTER(c_double)),
+            rot_size)
+        rot_size = rot_size.value
+
+        if rot_size == 9:
+            return rotation_data[:rot_size].shape(3, 3)
+        elif rot_size in (0, 12):
+            # If size is 0, rotation_data[9:] will be zeros. This indicates no
+            # rotation and is the most straightforward way to always return
+            # an iterable of floats
+            return rotation_data[9:]
+        else:
+            raise ValueError(
+                f'Invalid size of rotation matrix: {rot_size}')
+        
+    @rotation.setter
+    def rotation(self, rotation_data):
+        flat_rotation = np.asarray(rotation_data, dtype=float).flatten()
+
+        _dll.openmc_mesh_filter_set_rotation(
+            self._index, flat_rotation.ctypes.data_as(POINTER(c_double)),
+            c_size_t(len(flat_rotation)))
 
 class MeshBornFilter(Filter):
     """MeshBorn filter stored internally.
diff --git a/src/cell.cpp b/src/cell.cpp
index e2479994a..fd459cdcc 100644
--- a/src/cell.cpp
+++ b/src/cell.cpp
@@ -57,7 +57,7 @@ void Cell::set_rotation(const vector<double>& rot)
     fatal_error(fmt::format("Non-3D rotation vector applied to cell {}", id_));
   }
 
-  // Compute and store the rotation matrix.
+  // Compute and store the inverse rotation matrix for the angles given.
   rotation_.clear();
   rotation_.reserve(rot.size() == 9 ? 9 : 12);
   if (rot.size() == 3) {
diff --git a/src/tallies/filter_mesh.cpp b/src/tallies/filter_mesh.cpp
index 4edfbec4b..a0698992d 100644
--- a/src/tallies/filter_mesh.cpp
+++ b/src/tallies/filter_mesh.cpp
@@ -6,6 +6,7 @@
 #include "openmc/constants.h"
 #include "openmc/error.h"
 #include "openmc/mesh.h"
+#include "openmc/position.h"
 #include "openmc/xml_interface.h"
 
 namespace openmc {
@@ -30,6 +31,10 @@ void MeshFilter::from_xml(pugi::xml_node node)
   if (check_for_node(node, "translation")) {
     set_translation(get_node_array<double>(node, "translation"));
   }
+  // Read the rotation transform.
+  if (check_for_node(node, "rotation")) {
+    set_rotation(get_node_array<double>(node, "rotation"));
+  }
 }
 
 void MeshFilter::get_all_bins(
@@ -45,6 +50,12 @@ void MeshFilter::get_all_bins(
     last_r -= translation();
     r -= translation();
   }
+  // apply rotation if present
+  if (!rotation_.empty()) {
+    last_r = last_r.rotate(rotation_);
+    r = r.rotate(rotation_);
+    u = u.rotate(rotation_);
+  }
 
   if (estimator != TallyEstimator::TRACKLENGTH) {
     auto bin = model::meshes[mesh_]->get_bin(r);
@@ -65,6 +76,9 @@ void MeshFilter::to_statepoint(hid_t filter_group) const
   if (translated_) {
     write_dataset(filter_group, "translation", translation_);
   }
+  if (rotated_) {
+    write_dataset(filter_group, "rotation", rotation_);
+  }
 }
 
 std::string MeshFilter::text_label(int bin) const
@@ -93,6 +107,40 @@ void MeshFilter::set_translation(const double translation[3])
   this->set_translation({translation[0], translation[1], translation[2]});
 }
 
+void MeshFilter::set_rotation(const vector<double>& rot)
+{
+  rotated_ = true;
+
+  // Compute and store the inverse rotation matrix for the angles given.
+  rotation_.clear();
+  rotation_.reserve(rot.size() == 9 ? 9 : 12);
+  if (rot.size() == 3) {
+    double phi = -rot[0] * PI / 180.0;
+    double theta = -rot[1] * PI / 180.0;
+    double psi = -rot[2] * PI / 180.0;
+    rotation_.push_back(std::cos(theta) * std::cos(psi));
+    rotation_.push_back(-std::cos(phi) * std::sin(psi) +
+                        std::sin(phi) * std::sin(theta) * std::cos(psi));
+    rotation_.push_back(std::sin(phi) * std::sin(psi) +
+                        std::cos(phi) * std::sin(theta) * std::cos(psi));
+    rotation_.push_back(std::cos(theta) * std::sin(psi));
+    rotation_.push_back(std::cos(phi) * std::cos(psi) +
+                        std::sin(phi) * std::sin(theta) * std::sin(psi));
+    rotation_.push_back(-std::sin(phi) * std::cos(psi) +
+                        std::cos(phi) * std::sin(theta) * std::sin(psi));
+    rotation_.push_back(-std::sin(theta));
+    rotation_.push_back(std::sin(phi) * std::cos(theta));
+    rotation_.push_back(std::cos(phi) * std::cos(theta));
+
+    // When user specifies angles, write them at end of vector
+    rotation_.push_back(rot[0]);
+    rotation_.push_back(rot[1]);
+    rotation_.push_back(rot[2]);
+  } else {
+    std::copy(rot.begin(), rot.end(), std::back_inserter(rotation_));
+  }
+}
+
 //==============================================================================
 // C-API functions
 //==============================================================================
@@ -201,4 +249,48 @@ extern "C" int openmc_mesh_filter_set_translation(
   return 0;
 }
 
+//! Return the rotation matrix of a mesh filter
+extern "C" int openmc_mesh_filter_get_rotation(
+  int32_t index, double rot[], size_t* n)
+{
+  // Make sure this is a valid index to an allocated filter
+  if (int err = verify_filter(index))
+    return err;
+
+  // Check the filter type
+  const auto& filter = model::tally_filters[index];
+  if (filter->type() != FilterType::MESH) {
+    set_errmsg("Tried to get a rotation from a non-mesh filter.");
+    return OPENMC_E_INVALID_TYPE;
+  }
+  // Get rotation from the mesh filter and set value
+  auto mesh_filter = dynamic_cast<MeshFilter*>(filter.get());
+  *n = mesh_filter->rotation().size();
+  std::memcpy(rot, mesh_filter->rotation().data(),
+    *n * sizeof(mesh_filter->rotation()[0]));
+  return 0;
+}
+
+//! Set the flattened rotation matrix of a mesh filter
+extern "C" int openmc_mesh_filter_set_rotation(
+  int32_t index, const double rot[], size_t rot_len)
+{
+  // Make sure this is a valid index to an allocated filter
+  if (int err = verify_filter(index))
+    return err;
+
+  const auto& filter = model::tally_filters[index];
+  // Check the filter type
+  if (filter->type() != FilterType::MESH) {
+    set_errmsg("Tried to set a rotation from a non-mesh filter.");
+    return OPENMC_E_INVALID_TYPE;
+  }
+
+  // Get a pointer to the filter and downcast
+  auto mesh_filter = dynamic_cast<MeshFilter*>(filter.get());
+  std::vector<double> vec_rot(rot, rot + rot_len);
+  mesh_filter->set_rotation(vec_rot);
+  return 0;
+}
+
 } // namespace openmc
diff --git a/src/weight_windows.cpp b/src/weight_windows.cpp
index 9333800bc..4838e4591 100644
--- a/src/weight_windows.cpp
+++ b/src/weight_windows.cpp
@@ -933,7 +933,8 @@ void WeightWindowsGenerator::create_tally()
   for (const auto& f : model::tally_filters) {
     if (f->type() == FilterType::MESH) {
       const auto* mesh_filter = dynamic_cast<MeshFilter*>(f.get());
-      if (mesh_filter->mesh() == mesh_idx && !mesh_filter->translated()) {
+      if (mesh_filter->mesh() == mesh_idx && !mesh_filter->translated() &&
+          !mesh_filter->rotated()) {
         ww_tally->add_filter(f.get());
         found_mesh_filter = true;
         break;
diff --git a/tests/regression_tests/filter_rotations/__init__.py b/tests/regression_tests/filter_rotations/__init__.py
new file mode 100644
index 000000000..e69de29bb
diff --git a/tests/regression_tests/filter_rotations/inputs_true.dat b/tests/regression_tests/filter_rotations/inputs_true.dat
new file mode 100644
index 000000000..1ad2b9e86
--- /dev/null
+++ b/tests/regression_tests/filter_rotations/inputs_true.dat
@@ -0,0 +1,59 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material id="1" depletable="true">
+      <density value="10.0" units="g/cm3"/>
+      <nuclide name="U235" ao="1.0"/>
+    </material>
+    <material id="2">
+      <density value="1.0" units="g/cm3"/>
+      <nuclide name="Zr90" ao="1.0"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="1 -2 3 -4 10 -9" universe="1"/>
+    <cell id="2" material="2" region="(-1 | 2 | -3 | 4) (5 -6 7 -8) 10 -9" universe="1"/>
+    <surface id="1" name="minimum x" type="x-plane" coeffs="-5.0"/>
+    <surface id="2" name="maximum x" type="x-plane" coeffs="5.0"/>
+    <surface id="3" name="minimum y" type="y-plane" coeffs="-5.0"/>
+    <surface id="4" name="maximum y" type="y-plane" coeffs="5.0"/>
+    <surface id="5" name="minimum x" type="x-plane" boundary="reflective" coeffs="-10.0"/>
+    <surface id="6" name="maximum x" type="x-plane" boundary="reflective" coeffs="10.0"/>
+    <surface id="7" name="minimum y" type="y-plane" boundary="reflective" coeffs="-10.0"/>
+    <surface id="8" name="maximum y" type="y-plane" boundary="reflective" coeffs="10.0"/>
+    <surface id="9" type="z-plane" boundary="vacuum" coeffs="10.0"/>
+    <surface id="10" type="z-plane" boundary="vacuum" coeffs="-10.0"/>
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>1000</particles>
+    <batches>5</batches>
+    <inactive>0</inactive>
+  </settings>
+  <tallies>
+    <mesh id="1">
+      <dimension>3 4 5</dimension>
+      <lower_left>-9 -9 -9</lower_left>
+      <upper_right>9 9 9</upper_right>
+    </mesh>
+    <mesh id="2">
+      <dimension>3 4 5</dimension>
+      <lower_left>-9 -9 -9</lower_left>
+      <upper_right>9 9 9</upper_right>
+    </mesh>
+    <filter id="1" type="mesh">
+      <bins>1</bins>
+    </filter>
+    <filter id="2" type="mesh" rotation="0 0 10">
+      <bins>2</bins>
+    </filter>
+    <tally id="1">
+      <filters>1</filters>
+      <scores>total</scores>
+    </tally>
+    <tally id="2">
+      <filters>2</filters>
+      <scores>total</scores>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/filter_rotations/results_true.dat b/tests/regression_tests/filter_rotations/results_true.dat
new file mode 100644
index 000000000..5c8b83b76
--- /dev/null
+++ b/tests/regression_tests/filter_rotations/results_true.dat
@@ -0,0 +1,244 @@
+k-combined:
+7.729082E-01 3.775399E-02
+tally 1:
+5.296804E-02
+5.661701E-04
+8.356446E-02
+1.412139E-03
+5.041335E-02
+5.143568E-04
+1.299348E-01
+3.467618E-03
+3.929702E-01
+3.147038E-02
+1.379707E-01
+3.888484E-03
+1.405034E-01
+4.473799E-03
+3.785796E-01
+2.940585E-02
+1.422010E-01
+4.113723E-03
+5.647073E-02
+6.735251E-04
+7.911154E-02
+1.329137E-03
+5.160755E-02
+5.361448E-04
+6.669424E-02
+9.090832E-04
+1.008621E-01
+2.134534E-03
+6.808932E-02
+9.355993E-04
+1.873006E-01
+7.135961E-03
+6.221575E-01
+7.819842E-02
+1.856653E-01
+6.954762E-03
+2.014929E-01
+8.327845E-03
+5.853251E-01
+6.945708E-02
+1.709645E-01
+5.917124E-03
+7.214913E-02
+1.058962E-03
+1.027720E-01
+2.138475E-03
+6.099853E-02
+7.493941E-04
+6.892071E-02
+9.630680E-04
+1.035459E-01
+2.173883E-03
+6.973870E-02
+9.904237E-04
+2.125703E-01
+9.112659E-03
+9.012205E-01
+2.163546E-01
+2.066426E-01
+8.617414E-03
+2.258950E-01
+1.039607E-02
+9.476792E-01
+2.350708E-01
+2.225585E-01
+1.017898E-02
+7.111503E-02
+1.036847E-03
+1.117012E-01
+2.530040E-03
+6.870474E-02
+9.551035E-04
+5.738897E-02
+6.699030E-04
+9.522335E-02
+1.835769E-03
+6.570917E-02
+8.656870E-04
+1.945592E-01
+7.593336E-03
+5.514753E-01
+6.122981E-02
+2.144202E-01
+9.421739E-03
+1.971631E-01
+7.944046E-03
+6.088996E-01
+7.442954E-02
+1.965447E-01
+7.765628E-03
+7.005494E-02
+1.012891E-03
+1.010633E-01
+2.084095E-03
+6.145926E-02
+7.694351E-04
+4.999479E-02
+5.129164E-04
+7.238243E-02
+1.062921E-03
+4.902309E-02
+4.852193E-04
+1.324655E-01
+3.642431E-03
+3.305312E-01
+2.265726E-02
+1.332993E-01
+3.728385E-03
+1.547469E-01
+4.894837E-03
+3.625944E-01
+2.747313E-02
+1.435761E-01
+4.334405E-03
+5.789603E-02
+7.065383E-04
+7.589559E-02
+1.205386E-03
+5.210018E-02
+5.790843E-04
+tally 2:
+4.597932E-02
+4.246849E-04
+8.494738E-02
+1.467238E-03
+5.155072E-02
+5.373129E-04
+1.479395E-01
+4.468164E-03
+3.931843E-01
+3.141943E-02
+1.264081E-01
+3.243689E-03
+1.229742E-01
+3.276501E-03
+3.768427E-01
+2.927971E-02
+1.574908E-01
+5.079304E-03
+5.621044E-02
+6.877866E-04
+8.490616E-02
+1.510673E-03
+4.709600E-02
+4.576632E-04
+5.382674E-02
+5.890600E-04
+1.116560E-01
+2.599817E-03
+6.648634E-02
+8.862677E-04
+1.996861E-01
+8.137198E-03
+6.218616E-01
+7.805532E-02
+1.672379E-01
+5.667797E-03
+1.841275E-01
+6.936896E-03
+5.887874E-01
+7.031665E-02
+1.872574E-01
+7.086584E-03
+7.574698E-02
+1.160992E-03
+1.100173E-01
+2.453972E-03
+5.427866E-02
+5.955556E-04
+5.644318E-02
+6.503634E-04
+1.058628E-01
+2.254338E-03
+8.012794E-02
+1.297032E-03
+2.292757E-01
+1.064490E-02
+9.001874E-01
+2.153097E-01
+1.921874E-01
+7.537343E-03
+2.058642E-01
+8.537136E-03
+9.442653E-01
+2.359241E-01
+2.419900E-01
+1.202201E-02
+7.563876E-02
+1.169874E-03
+1.165428E-01
+2.750405E-03
+5.646354E-02
+6.408683E-04
+4.963879E-02
+4.975915E-04
+1.005478E-01
+2.046400E-03
+7.041191E-02
+1.002590E-03
+1.959123E-01
+7.727902E-03
+5.625596E-01
+6.366248E-02
+1.987313E-01
+8.108832E-03
+1.922194E-01
+7.602752E-03
+6.062527E-01
+7.384124E-02
+2.039506E-01
+8.379010E-03
+7.019905E-02
+1.034239E-03
+1.081383E-01
+2.344040E-03
+5.125142E-02
+5.430397E-04
+4.230495E-02
+3.666730E-04
+7.722275E-02
+1.208856E-03
+4.998937E-02
+5.049355E-04
+1.461632E-01
+4.456332E-03
+3.315459E-01
+2.288314E-02
+1.238273E-01
+3.205844E-03
+1.355317E-01
+3.754923E-03
+3.646520E-01
+2.766067E-02
+1.543013E-01
+5.044487E-03
+6.082173E-02
+7.636985E-04
+8.490569E-02
+1.506309E-03
+4.046126E-02
+3.495832E-04
diff --git a/tests/regression_tests/filter_rotations/test.py b/tests/regression_tests/filter_rotations/test.py
new file mode 100644
index 000000000..f5d63d6b4
--- /dev/null
+++ b/tests/regression_tests/filter_rotations/test.py
@@ -0,0 +1,72 @@
+import numpy as np
+
+import openmc
+import pytest
+
+from tests.testing_harness import PyAPITestHarness
+
+
+@pytest.fixture
+def model():
+
+    model = openmc.model.Model()
+
+    fuel = openmc.Material()
+    fuel.set_density('g/cm3', 10.0)
+    fuel.add_nuclide('U235', 1.0)
+    zr = openmc.Material()
+    zr.set_density('g/cm3', 1.0)
+    zr.add_nuclide('Zr90', 1.0)
+    model.materials.extend([fuel, zr])
+
+    box1 = openmc.model.RectangularPrism(10.0, 10.0)
+    box2 = openmc.model.RectangularPrism(20.0, 20.0, boundary_type='reflective')
+    top = openmc.ZPlane(z0=10.0, boundary_type='vacuum')
+    bottom = openmc.ZPlane(z0=-10.0, boundary_type='vacuum')
+    cell1 = openmc.Cell(fill=fuel, region=-box1 & +bottom & -top)
+    cell2 = openmc.Cell(fill=zr, region=+box1 & -box2 & +bottom & -top)
+    model.geometry = openmc.Geometry([cell1, cell2])
+
+    model.settings.batches = 5
+    model.settings.inactive = 0
+    model.settings.particles = 1000
+
+    rotation = np.array((0, 0, 10))
+
+    llc = np.array([-9, -9, -9])
+    urc = np.array([9, 9, 9])
+
+    mesh_dims = (3, 4, 5)
+
+    filters = []
+
+    # un-rotated meshes
+    reg_mesh = openmc.RegularMesh()
+    reg_mesh.dimension = mesh_dims
+    reg_mesh.lower_left = llc
+    reg_mesh.upper_right = urc
+
+    filters.append(openmc.MeshFilter(reg_mesh))
+
+    # rotated meshes
+    rotated_reg_mesh = openmc.RegularMesh()
+    rotated_reg_mesh.dimension = mesh_dims
+    rotated_reg_mesh.lower_left = llc
+    rotated_reg_mesh.upper_right = urc
+
+    filters.append(openmc.MeshFilter(rotated_reg_mesh))
+    filters[-1].rotation = rotation
+
+    # Create tallies
+    for f in filters:
+        tally = openmc.Tally()
+        tally.filters = [f]
+        tally.scores = ['total']
+        model.tallies.append(tally)
+
+    return model
+
+
+def test_filter_mesh_rotations(model):
+    harness = PyAPITestHarness('statepoint.5.h5', model)
+    harness.main()
diff --git a/tests/unit_tests/test_filter_mesh.py b/tests/unit_tests/test_filter_mesh.py
index a8bd4996d..faa43af47 100644
--- a/tests/unit_tests/test_filter_mesh.py
+++ b/tests/unit_tests/test_filter_mesh.py
@@ -259,3 +259,29 @@ def test_get_reshaped_data(run_in_tmpdir):
 
     assert data1.shape == (2, 19*3*2, 1, 1)
     assert data2.shape == (2, 19, 3, 2, 1, 1)
+
+def test_mesh_filter_rotation_roundtrip(run_in_tmpdir):
+    """Test that MeshFilter rotation works as expected"""
+
+
+    mesh = openmc.RegularMesh()
+    mesh.lower_left = [-10, -10, -10]
+    mesh.upper_right = [10, 10, 10]
+    mesh.dimension = [2, 3, 4]
+
+    # check that rotatoin is round-tripped correctly for a set of angles
+    mesh_filter = openmc.MeshFilter(mesh)
+    mesh_filter.rotation = [0, 0, 90]  # Rotate around z-axis by 90 degrees
+
+    elem = mesh_filter.to_xml_element()
+    mesh_filter_xml = openmc.MeshFilter.from_xml_element(elem, meshes={mesh.id: mesh})
+    assert all(mesh_filter_xml.rotation == mesh_filter.rotation)
+
+    # check that rotation matrix is round-tripped correctly for a rotation matrix
+    mesh_filter.rotation = np.array([[0.7071, 0, 0.7071],
+                                     [0, 1, 0],
+                                     [-0.7071, 0, 0.7071]])
+
+    elem = mesh_filter.to_xml_element()
+    mesh_filter_xml = openmc.MeshFilter.from_xml_element(elem, meshes={mesh.id: mesh})
+    assert np.allclose(mesh_filter_xml.rotation, mesh_filter.rotation)
diff --git a/tests/unit_tests/test_lib.py b/tests/unit_tests/test_lib.py
index eb4dc3dce..e5a4d198e 100644
--- a/tests/unit_tests/test_lib.py
+++ b/tests/unit_tests/test_lib.py
@@ -608,6 +608,13 @@ def test_regular_mesh(lib_init):
         assert isinstance(mesh, openmc.lib.RegularMesh)
         assert mesh_id == mesh.id
 
+    rotation = (180.0, 0.0, 0.0)
+
+    mf = openmc.lib.MeshFilter(mesh)
+    assert mf.mesh == mesh
+    mf.rotation = rotation
+    assert np.allclose(mf.rotation, rotation)
+
     translation = (1.0, 2.0, 3.0)
 
     mf = openmc.lib.MeshFilter(mesh)

From 3f06a42abb89a9b09cb3f2e86680a31bae90cc08 Mon Sep 17 00:00:00 2001
From: GuySten <62616591+GuySten@users.noreply.github.com>
Date: Tue, 23 Dec 2025 22:18:59 +0200
Subject: [PATCH 2464/2654] Refactor get_energy_index to prevent repetition
 (#3686)

---
 include/openmc/math_functions.h | 11 +++++++++++
 src/distribution_angle.cpp      | 18 +++---------------
 src/math_functions.cpp          | 15 +++++++++++++++
 src/secondary_correlated.cpp    | 16 +++-------------
 src/secondary_kalbach.cpp       | 16 +++-------------
 src/secondary_thermal.cpp       | 15 +--------------
 6 files changed, 36 insertions(+), 55 deletions(-)

diff --git a/include/openmc/math_functions.h b/include/openmc/math_functions.h
index c30ef7558..0d960c33d 100644
--- a/include/openmc/math_functions.h
+++ b/include/openmc/math_functions.h
@@ -9,6 +9,7 @@
 #include <cstdlib>
 
 #include "openmc/position.h"
+#include "openmc/search.h"
 
 namespace openmc {
 
@@ -200,5 +201,15 @@ std::complex<double> faddeeva(std::complex<double> z);
 //! \return Derivative of Faddeeva function evaluated at z
 std::complex<double> w_derivative(std::complex<double> z, int order);
 
+//! Helper function to get index and interpolation function on an incident
+//! energy grid
+//!
+//! \param energies energy grid
+//! \param E incident energy
+//! \param i grid index
+//! \param f interpolation factor
+void get_energy_index(
+  const vector<double>& energies, double E, int& i, double& f);
+
 } // namespace openmc
 #endif // OPENMC_MATH_FUNCTIONS_H
diff --git a/src/distribution_angle.cpp b/src/distribution_angle.cpp
index 5e92b794a..a571b2a5f 100644
--- a/src/distribution_angle.cpp
+++ b/src/distribution_angle.cpp
@@ -7,6 +7,7 @@
 
 #include "openmc/endf.h"
 #include "openmc/hdf5_interface.h"
+#include "openmc/math_functions.h"
 #include "openmc/random_lcg.h"
 #include "openmc/search.h"
 #include "openmc/vector.h" // for vector
@@ -64,23 +65,10 @@ AngleDistribution::AngleDistribution(hid_t group)
 
 double AngleDistribution::sample(double E, uint64_t* seed) const
 {
-  // Determine number of incoming energies
-  auto n = energy_.size();
-
-  // Find energy bin and calculate interpolation factor -- if the energy is
-  // outside the range of the tabulated energies, choose the first or last bins
+  // Find energy bin and calculate interpolation factor
   int i;
   double r;
-  if (E < energy_[0]) {
-    i = 0;
-    r = 0.0;
-  } else if (E > energy_[n - 1]) {
-    i = n - 2;
-    r = 1.0;
-  } else {
-    i = lower_bound_index(energy_.begin(), energy_.end(), E);
-    r = (E - energy_[i]) / (energy_[i + 1] - energy_[i]);
-  }
+  get_energy_index(energy_, E, i, r);
 
   // Sample between the ith and (i+1)th bin
   if (r > prn(seed))
diff --git a/src/math_functions.cpp b/src/math_functions.cpp
index 5469b56c8..9473f928b 100644
--- a/src/math_functions.cpp
+++ b/src/math_functions.cpp
@@ -919,4 +919,19 @@ std::complex<double> w_derivative(std::complex<double> z, int order)
   }
 }
 
+// Helper function to get index and interpolation function on an incident energy
+// grid
+void get_energy_index(
+  const vector<double>& energies, double E, int& i, double& f)
+{
+  // Get index and interpolation factor for linear-linear energy grid
+  i = 0;
+  f = 0.0;
+  if (E >= energies.front()) {
+    i = lower_bound_index(energies.begin(), energies.end(), E);
+    if (i + 1 < energies.size())
+      f = (E - energies[i]) / (energies[i + 1] - energies[i]);
+  }
+}
+
 } // namespace openmc
diff --git a/src/secondary_correlated.cpp b/src/secondary_correlated.cpp
index 0e4891dd3..3f26fdb01 100644
--- a/src/secondary_correlated.cpp
+++ b/src/secondary_correlated.cpp
@@ -10,6 +10,7 @@
 
 #include "openmc/endf.h"
 #include "openmc/hdf5_interface.h"
+#include "openmc/math_functions.h"
 #include "openmc/random_lcg.h"
 #include "openmc/search.h"
 
@@ -156,21 +157,10 @@ CorrelatedAngleEnergy::CorrelatedAngleEnergy(hid_t group)
 void CorrelatedAngleEnergy::sample(
   double E_in, double& E_out, double& mu, uint64_t* seed) const
 {
-  // Find energy bin and calculate interpolation factor -- if the energy is
-  // outside the range of the tabulated energies, choose the first or last bins
-  auto n_energy_in = energy_.size();
+  // Find energy bin and calculate interpolation factor
   int i;
   double r;
-  if (E_in < energy_[0]) {
-    i = 0;
-    r = 0.0;
-  } else if (E_in > energy_[n_energy_in - 1]) {
-    i = n_energy_in - 2;
-    r = 1.0;
-  } else {
-    i = lower_bound_index(energy_.begin(), energy_.end(), E_in);
-    r = (E_in - energy_[i]) / (energy_[i + 1] - energy_[i]);
-  }
+  get_energy_index(energy_, E_in, i, r);
 
   // Sample between the ith and [i+1]th bin
   int l = r > prn(seed) ? i + 1 : i;
diff --git a/src/secondary_kalbach.cpp b/src/secondary_kalbach.cpp
index 4a7878343..6ac91e665 100644
--- a/src/secondary_kalbach.cpp
+++ b/src/secondary_kalbach.cpp
@@ -9,6 +9,7 @@
 #include "xtensor/xview.hpp"
 
 #include "openmc/hdf5_interface.h"
+#include "openmc/math_functions.h"
 #include "openmc/random_dist.h"
 #include "openmc/random_lcg.h"
 #include "openmc/search.h"
@@ -117,21 +118,10 @@ KalbachMann::KalbachMann(hid_t group)
 void KalbachMann::sample(
   double E_in, double& E_out, double& mu, uint64_t* seed) const
 {
-  // Find energy bin and calculate interpolation factor -- if the energy is
-  // outside the range of the tabulated energies, choose the first or last bins
-  auto n_energy_in = energy_.size();
+  // Find energy bin and calculate interpolation factor
   int i;
   double r;
-  if (E_in < energy_[0]) {
-    i = 0;
-    r = 0.0;
-  } else if (E_in > energy_[n_energy_in - 1]) {
-    i = n_energy_in - 2;
-    r = 1.0;
-  } else {
-    i = lower_bound_index(energy_.begin(), energy_.end(), E_in);
-    r = (E_in - energy_[i]) / (energy_[i + 1] - energy_[i]);
-  }
+  get_energy_index(energy_, E_in, i, r);
 
   // Sample between the ith and [i+1]th bin
   int l = r > prn(seed) ? i + 1 : i;
diff --git a/src/secondary_thermal.cpp b/src/secondary_thermal.cpp
index 8b9e8737c..030d398aa 100644
--- a/src/secondary_thermal.cpp
+++ b/src/secondary_thermal.cpp
@@ -1,6 +1,7 @@
 #include "openmc/secondary_thermal.h"
 
 #include "openmc/hdf5_interface.h"
+#include "openmc/math_functions.h"
 #include "openmc/random_lcg.h"
 #include "openmc/search.h"
 
@@ -11,20 +12,6 @@
 
 namespace openmc {
 
-// Helper function to get index on incident energy grid
-void get_energy_index(
-  const vector<double>& energies, double E, int& i, double& f)
-{
-  // Get index and interpolation factor for elastic grid
-  i = 0;
-  f = 0.0;
-  if (E >= energies.front()) {
-    i = lower_bound_index(energies.begin(), energies.end(), E);
-    if (i + 1 < energies.size())
-      f = (E - energies[i]) / (energies[i + 1] - energies[i]);
-  }
-}
-
 //==============================================================================
 // CoherentElasticAE implementation
 //==============================================================================

From 92d7fdb199032f89ed15533da87050ff90a5a55a Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 30 Dec 2025 22:31:53 -0500
Subject: [PATCH 2465/2654] Use min/max position members in C++ BoundingBox
 class (#3699)

---
 include/openmc/bounding_box.h | 46 +++++++++++++++++++----------------
 include/openmc/mesh.h         |  4 +--
 src/cell.cpp                  | 12 ++++-----
 src/dagmc.cpp                 |  2 +-
 src/geometry.cpp              | 12 ++++-----
 src/mesh.cpp                  | 27 ++++++++++----------
 src/surface.cpp               | 28 ++++++++++-----------
 src/universe.cpp              |  2 +-
 8 files changed, 68 insertions(+), 65 deletions(-)

diff --git a/include/openmc/bounding_box.h b/include/openmc/bounding_box.h
index d02d92cb4..4fabe1b70 100644
--- a/include/openmc/bounding_box.h
+++ b/include/openmc/bounding_box.h
@@ -13,12 +13,19 @@ namespace openmc {
 //==============================================================================
 
 struct BoundingBox {
-  double xmin = -INFTY;
-  double xmax = INFTY;
-  double ymin = -INFTY;
-  double ymax = INFTY;
-  double zmin = -INFTY;
-  double zmax = INFTY;
+  Position min = {-INFTY, -INFTY, -INFTY};
+  Position max = {INFTY, INFTY, INFTY};
+
+  // Constructors
+  BoundingBox() = default;
+  BoundingBox(Position min_, Position max_) : min {min_}, max {max_} {}
+
+  // Static factory methods
+  static BoundingBox infinite() { return {}; }
+  static BoundingBox inverted()
+  {
+    return {{INFTY, INFTY, INFTY}, {-INFTY, -INFTY, -INFTY}};
+  }
 
   inline BoundingBox operator&(const BoundingBox& other)
   {
@@ -35,29 +42,26 @@ struct BoundingBox {
   // intersect operator
   inline BoundingBox& operator&=(const BoundingBox& other)
   {
-    xmin = std::max(xmin, other.xmin);
-    xmax = std::min(xmax, other.xmax);
-    ymin = std::max(ymin, other.ymin);
-    ymax = std::min(ymax, other.ymax);
-    zmin = std::max(zmin, other.zmin);
-    zmax = std::min(zmax, other.zmax);
+    min.x = std::max(min.x, other.min.x);
+    min.y = std::max(min.y, other.min.y);
+    min.z = std::max(min.z, other.min.z);
+    max.x = std::min(max.x, other.max.x);
+    max.y = std::min(max.y, other.max.y);
+    max.z = std::min(max.z, other.max.z);
     return *this;
   }
 
   // union operator
   inline BoundingBox& operator|=(const BoundingBox& other)
   {
-    xmin = std::min(xmin, other.xmin);
-    xmax = std::max(xmax, other.xmax);
-    ymin = std::min(ymin, other.ymin);
-    ymax = std::max(ymax, other.ymax);
-    zmin = std::min(zmin, other.zmin);
-    zmax = std::max(zmax, other.zmax);
+    min.x = std::min(min.x, other.min.x);
+    min.y = std::min(min.y, other.min.y);
+    min.z = std::min(min.z, other.min.z);
+    max.x = std::max(max.x, other.max.x);
+    max.y = std::max(max.y, other.max.y);
+    max.z = std::max(max.z, other.max.z);
     return *this;
   }
-
-  inline Position min() const { return {xmin, ymin, zmin}; }
-  inline Position max() const { return {xmax, ymax, zmax}; }
 };
 
 } // namespace openmc
diff --git a/include/openmc/mesh.h b/include/openmc/mesh.h
index 5c9272e93..7ceb623da 100644
--- a/include/openmc/mesh.h
+++ b/include/openmc/mesh.h
@@ -244,9 +244,7 @@ public:
   //! \return Bounding box of mesh
   BoundingBox bounding_box() const
   {
-    auto ll = this->lower_left();
-    auto ur = this->upper_right();
-    return {ll.x, ur.x, ll.y, ur.y, ll.z, ur.z};
+    return {this->lower_left(), this->upper_right()};
   }
 
   virtual Position lower_left() const = 0;
diff --git a/src/cell.cpp b/src/cell.cpp
index fd459cdcc..aceed31ca 100644
--- a/src/cell.cpp
+++ b/src/cell.cpp
@@ -1334,14 +1334,14 @@ extern "C" int openmc_cell_bounding_box(
   bbox = c->bounding_box();
 
   // set lower left corner values
-  llc[0] = bbox.xmin;
-  llc[1] = bbox.ymin;
-  llc[2] = bbox.zmin;
+  llc[0] = bbox.min.x;
+  llc[1] = bbox.min.y;
+  llc[2] = bbox.min.z;
 
   // set upper right corner values
-  urc[0] = bbox.xmax;
-  urc[1] = bbox.ymax;
-  urc[2] = bbox.zmax;
+  urc[0] = bbox.max.x;
+  urc[1] = bbox.max.y;
+  urc[2] = bbox.max.z;
 
   return 0;
 }
diff --git a/src/dagmc.cpp b/src/dagmc.cpp
index b2ebe89c0..571182fa6 100644
--- a/src/dagmc.cpp
+++ b/src/dagmc.cpp
@@ -753,7 +753,7 @@ BoundingBox DAGCell::bounding_box() const
   double min[3], max[3];
   rval = dagmc_ptr_->getobb(vol, min, max);
   MB_CHK_ERR_CONT(rval);
-  return {min[0], max[0], min[1], max[1], min[2], max[2]};
+  return {{min[0], min[1], min[2]}, {max[0], max[1], max[2]}};
 }
 
 //==============================================================================
diff --git a/src/geometry.cpp b/src/geometry.cpp
index 5ff15097b..ddb61385f 100644
--- a/src/geometry.cpp
+++ b/src/geometry.cpp
@@ -480,14 +480,14 @@ extern "C" int openmc_global_bounding_box(double* llc, double* urc)
   auto bbox = model::universes.at(model::root_universe)->bounding_box();
 
   // set lower left corner values
-  llc[0] = bbox.xmin;
-  llc[1] = bbox.ymin;
-  llc[2] = bbox.zmin;
+  llc[0] = bbox.min.x;
+  llc[1] = bbox.min.y;
+  llc[2] = bbox.min.z;
 
   // set upper right corner values
-  urc[0] = bbox.xmax;
-  urc[1] = bbox.ymax;
-  urc[2] = bbox.zmax;
+  urc[0] = bbox.max.x;
+  urc[1] = bbox.max.y;
+  urc[2] = bbox.max.z;
 
   return 0;
 }
diff --git a/src/mesh.cpp b/src/mesh.cpp
index c3a2d4581..9a7a8e751 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -359,9 +359,10 @@ void Mesh::material_volumes(int nx, int ny, int nz, int table_size,
   std::array<int, 3> n_rays = {nx, ny, nz};
 
   // Determine effective width of rays
-  Position width((nx > 0) ? (bbox.xmax - bbox.xmin) / nx : 0.0,
-    (ny > 0) ? (bbox.ymax - bbox.ymin) / ny : 0.0,
-    (nz > 0) ? (bbox.zmax - bbox.zmin) / nz : 0.0);
+  Position width = bbox.max - bbox.min;
+  width.x = (nx > 0) ? width.x / nx : 0.0;
+  width.y = (ny > 0) ? width.y / ny : 0.0;
+  width.z = (nz > 0) ? width.z / nz : 0.0;
 
   // Set flag for mesh being contained within model
   bool out_of_model = false;
@@ -380,15 +381,15 @@ void Mesh::material_volumes(int nx, int ny, int nz, int table_size,
     for (int axis = 0; axis < 3; ++axis) {
       // Set starting position and direction
       site.r = {0.0, 0.0, 0.0};
-      site.r[axis] = bbox.min()[axis];
+      site.r[axis] = bbox.min[axis];
       site.u = {0.0, 0.0, 0.0};
       site.u[axis] = 1.0;
 
       // Determine width of rays and number of rays in other directions
       int ax1 = (axis + 1) % 3;
       int ax2 = (axis + 2) % 3;
-      double min1 = bbox.min()[ax1];
-      double min2 = bbox.min()[ax2];
+      double min1 = bbox.min[ax1];
+      double min2 = bbox.min[ax2];
       double d1 = width[ax1];
       double d2 = width[ax2];
       int n1 = n_rays[ax1];
@@ -433,7 +434,7 @@ void Mesh::material_volumes(int nx, int ny, int nz, int table_size,
           while (true) {
             // Ray trace from r_start to r_end
             Position r0 = p.r();
-            double max_distance = bbox.max()[axis] - r0[axis];
+            double max_distance = bbox.max[axis] - r0[axis];
 
             // Find the distance to the nearest boundary
             BoundaryInfo boundary = distance_to_boundary(p);
@@ -2415,14 +2416,14 @@ extern "C" int openmc_mesh_bounding_box(int32_t index, double* ll, double* ur)
   BoundingBox bbox = model::meshes[index]->bounding_box();
 
   // set lower left corner values
-  ll[0] = bbox.xmin;
-  ll[1] = bbox.ymin;
-  ll[2] = bbox.zmin;
+  ll[0] = bbox.min.x;
+  ll[1] = bbox.min.y;
+  ll[2] = bbox.min.z;
 
   // set upper right corner values
-  ur[0] = bbox.xmax;
-  ur[1] = bbox.ymax;
-  ur[2] = bbox.zmax;
+  ur[0] = bbox.max.x;
+  ur[1] = bbox.max.y;
+  ur[2] = bbox.max.z;
   return 0;
 }
 
diff --git a/src/surface.cpp b/src/surface.cpp
index 09fc0f24f..bc9c7f4a9 100644
--- a/src/surface.cpp
+++ b/src/surface.cpp
@@ -251,9 +251,9 @@ void SurfaceXPlane::to_hdf5_inner(hid_t group_id) const
 BoundingBox SurfaceXPlane::bounding_box(bool pos_side) const
 {
   if (pos_side) {
-    return {x0_, INFTY, -INFTY, INFTY, -INFTY, INFTY};
+    return {{x0_, -INFTY, -INFTY}, {INFTY, INFTY, INFTY}};
   } else {
-    return {-INFTY, x0_, -INFTY, INFTY, -INFTY, INFTY};
+    return {{-INFTY, -INFTY, -INFTY}, {x0_, INFTY, INFTY}};
   }
 }
 
@@ -291,9 +291,9 @@ void SurfaceYPlane::to_hdf5_inner(hid_t group_id) const
 BoundingBox SurfaceYPlane::bounding_box(bool pos_side) const
 {
   if (pos_side) {
-    return {-INFTY, INFTY, y0_, INFTY, -INFTY, INFTY};
+    return {{-INFTY, y0_, -INFTY}, {INFTY, INFTY, INFTY}};
   } else {
-    return {-INFTY, INFTY, -INFTY, y0_, -INFTY, INFTY};
+    return {{-INFTY, -INFTY, -INFTY}, {INFTY, y0_, INFTY}};
   }
 }
 
@@ -331,9 +331,9 @@ void SurfaceZPlane::to_hdf5_inner(hid_t group_id) const
 BoundingBox SurfaceZPlane::bounding_box(bool pos_side) const
 {
   if (pos_side) {
-    return {-INFTY, INFTY, -INFTY, INFTY, z0_, INFTY};
+    return {{-INFTY, -INFTY, z0_}, {INFTY, INFTY, INFTY}};
   } else {
-    return {-INFTY, INFTY, -INFTY, INFTY, -INFTY, z0_};
+    return {{-INFTY, -INFTY, -INFTY}, {INFTY, INFTY, z0_}};
   }
 }
 
@@ -492,8 +492,8 @@ void SurfaceXCylinder::to_hdf5_inner(hid_t group_id) const
 BoundingBox SurfaceXCylinder::bounding_box(bool pos_side) const
 {
   if (!pos_side) {
-    return {-INFTY, INFTY, y0_ - radius_, y0_ + radius_, z0_ - radius_,
-      z0_ + radius_};
+    return {{-INFTY, y0_ - radius_, z0_ - radius_},
+      {INFTY, y0_ + radius_, z0_ + radius_}};
   } else {
     return {};
   }
@@ -535,8 +535,8 @@ void SurfaceYCylinder::to_hdf5_inner(hid_t group_id) const
 BoundingBox SurfaceYCylinder::bounding_box(bool pos_side) const
 {
   if (!pos_side) {
-    return {x0_ - radius_, x0_ + radius_, -INFTY, INFTY, z0_ - radius_,
-      z0_ + radius_};
+    return {{x0_ - radius_, -INFTY, z0_ - radius_},
+      {x0_ + radius_, INFTY, z0_ + radius_}};
   } else {
     return {};
   }
@@ -579,8 +579,8 @@ void SurfaceZCylinder::to_hdf5_inner(hid_t group_id) const
 BoundingBox SurfaceZCylinder::bounding_box(bool pos_side) const
 {
   if (!pos_side) {
-    return {x0_ - radius_, x0_ + radius_, y0_ - radius_, y0_ + radius_, -INFTY,
-      INFTY};
+    return {{x0_ - radius_, y0_ - radius_, -INFTY},
+      {x0_ + radius_, y0_ + radius_, INFTY}};
   } else {
     return {};
   }
@@ -657,8 +657,8 @@ void SurfaceSphere::to_hdf5_inner(hid_t group_id) const
 BoundingBox SurfaceSphere::bounding_box(bool pos_side) const
 {
   if (!pos_side) {
-    return {x0_ - radius_, x0_ + radius_, y0_ - radius_, y0_ + radius_,
-      z0_ - radius_, z0_ + radius_};
+    return {{x0_ - radius_, y0_ - radius_, z0_ - radius_},
+      {x0_ + radius_, y0_ + radius_, z0_ + radius_}};
   } else {
     return {};
   }
diff --git a/src/universe.cpp b/src/universe.cpp
index 78ddd54d4..e1db80b99 100644
--- a/src/universe.cpp
+++ b/src/universe.cpp
@@ -61,7 +61,7 @@ bool Universe::find_cell(GeometryState& p) const
 
 BoundingBox Universe::bounding_box() const
 {
-  BoundingBox bbox = {INFTY, -INFTY, INFTY, -INFTY, INFTY, -INFTY};
+  BoundingBox bbox = BoundingBox::inverted();
   if (cells_.size() == 0) {
     return {};
   } else {

From f08326a9ac416d54973ce0d210078729cfc3b008 Mon Sep 17 00:00:00 2001
From: GuySten <62616591+GuySten@users.noreply.github.com>
Date: Thu, 1 Jan 2026 13:30:09 +0200
Subject: [PATCH 2466/2654] Cache cross sections according to the hash of
 download-xs.sh script (#3701)

---
 .github/workflows/ci.yml | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index d75a64d66..8a9c7322e 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -154,7 +154,7 @@ jobs:
           path: |
             ~/nndc_hdf5
             ~/endf-b-vii.1
-          key: ${{ runner.os }}-build-xs-cache
+          key: ${{ runner.os }}-build-xs-cache-${{ hashFiles(format('{0}/tools/ci/download-xs.sh', github.workspace)) }}
 
       - name: before
         shell: bash

From 932f36f411ef11cbaa69635a2a35c0060edc58c2 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 2 Jan 2026 05:31:46 -0500
Subject: [PATCH 2467/2654] Add recognized thermal scattering names for JEFF
 4.0 and JENDL 5 (#3693)

---
 openmc/data/neutron.py                |   6 +-
 openmc/data/njoy.py                   |  98 +++++++++++++++++++++-
 openmc/data/thermal.py                | 115 +++++++++++++++++++++++---
 tests/unit_tests/test_data_thermal.py |  23 ++++++
 4 files changed, 230 insertions(+), 12 deletions(-)

diff --git a/openmc/data/neutron.py b/openmc/data/neutron.py
index 628801e5e..71927cbed 100644
--- a/openmc/data/neutron.py
+++ b/openmc/data/neutron.py
@@ -765,6 +765,11 @@ class IncidentNeutron(EqualityMixin):
             for table in lib.tables[1:]:
                 data.add_temperature_from_ace(table)
 
+            # Use name based on ENDF evaluation. The name assigned by from_ace
+            # may be wrong for higher metastable states (e.g., Hf178_m2)
+            ev = evaluation if evaluation is not None else Evaluation(filename)
+            data.name = ev.gnds_name
+
             # Add 0K elastic scattering cross section
             if '0K' not in data.energy:
                 pendf = Evaluation(kwargs['pendf'])
@@ -775,7 +780,6 @@ class IncidentNeutron(EqualityMixin):
                 data[2].xs['0K'] = xs
 
             # Add fission energy release data
-            ev = evaluation if evaluation is not None else Evaluation(filename)
             if (1, 458) in ev.section:
                 data.fission_energy = f = FissionEnergyRelease.from_endf(ev, data)
             else:
diff --git a/openmc/data/njoy.py b/openmc/data/njoy.py
index 4c538bd6e..ddc68cc37 100644
--- a/openmc/data/njoy.py
+++ b/openmc/data/njoy.py
@@ -15,19 +15,41 @@ import openmc.data
 # identifiers.
 ThermalTuple = namedtuple('ThermalTuple', ['name', 'zaids', 'nmix'])
 _THERMAL_DATA = {
+    'c_Ag': ThermalTuple('ag', [47107, 47109], 1),
     'c_Al27': ThermalTuple('al27', [13027], 1),
     'c_Al_in_Al2O3': ThermalTuple('asap00', [13027], 1),
+    'c_Al_in_Y3Al5O12': ThermalTuple('alyag', [13027], 1),
+    'c_Au': ThermalTuple('au', [79197], 1),
     'c_Be': ThermalTuple('be', [4009], 1),
     'c_Be_distinct': ThermalTuple('besd', [4009], 1),
     'c_Be_in_BeO': ThermalTuple('bebeo', [4009], 1),
     'c_Be_in_Be2C': ThermalTuple('bebe2c', [4009], 1),
     'c_Be_in_BeF2': ThermalTuple('bebef2', [4009], 1),
     'c_Be_in_FLiBe': ThermalTuple('beflib', [4009], 1),
+    'c_BeO': ThermalTuple('beo', [4009, 8016, 8017, 8018], 2),
+    'c_Bi': ThermalTuple('bi', [83209], 1),
+    'c_Bi_in_Ge3Bi4O12': ThermalTuple('bigbo', [83209], 1),
     'c_C6H6': ThermalTuple('benz', [1001, 6000, 6012], 2),
     'c_C_in_Be2C': ThermalTuple('cbe2c', [6000, 6012, 6013], 1),
     'c_C_in_C5O2H8': ThermalTuple('clucit', [6000, 6012, 6013], 1),
     'c_C_in_C8H8': ThermalTuple('cc8h8', [6000, 6012, 6013], 1),
+    'c_C_in_C19H16_liquid': ThermalTuple('c19liq', [6000, 6012, 6013], 1),
+    'c_C_in_C19H16_solid': ThermalTuple('c19sol', [6000, 6012, 6013], 1),
+    'c_C_in_C2H6O_liquid': ThermalTuple('ethliq', [6000, 6012, 6013], 1),
+    'c_C_in_C2H6O_solid': ThermalTuple('ethsol', [6000, 6012, 6013], 1),
+    'c_C_in_C6H6_liquid': ThermalTuple('benzlq', [6000, 6012, 6013], 1),
+    'c_C_in_C6H6_solid': ThermalTuple('benzsl', [6000, 6012, 6013], 1),
+    'c_C_in_C7H8_liquid': ThermalTuple('tolliq', [6000, 6012, 6013], 1),
+    'c_C_in_C7H8_solid': ThermalTuple('tolsol', [6000, 6012, 6013], 1),
+    'c_C_in_C8H10_liquid': ThermalTuple('xylliq', [6000, 6012, 6013], 1),
+    'c_C_in_C8H10_solid': ThermalTuple('xylsol', [6000, 6012, 6013], 1),
+    'c_C_in_C9H12_liquid': ThermalTuple('mesliq', [6000, 6012, 6013], 1),
+    'c_C_in_C9H12_solid': ThermalTuple('messol', [6000, 6012, 6013], 1),
     'c_C_in_CF2': ThermalTuple('ccf2', [6000, 6012, 6013], 1),
+    'c_C_in_CH2': ThermalTuple('cch2', [6000, 6012, 6013], 1),
+    'c_C_in_CH4_liquid': ThermalTuple('cch4lq', [6000, 6012, 6013], 1),
+    'c_C_in_CH4_solid': ThermalTuple('cch4sl', [6000, 6012, 6013], 1),
+    'c_C_in_Diamond': ThermalTuple('cdiam', [6000, 6012, 6013], 1),
     'c_C_in_SiC': ThermalTuple('csic', [6000, 6012, 6013], 1),
     'c_C_in_UC_100p': ThermalTuple('cuc100', [6000, 6012, 6013], 1),
     'c_C_in_UC_10p': ThermalTuple('cuc10', [6000, 6012, 6013], 1),
@@ -36,16 +58,29 @@ _THERMAL_DATA = {
     'c_C_in_UC_HALEU': ThermalTuple('cuchal', [6000, 6012, 6013], 1),
     'c_C_in_UC_HEU': ThermalTuple('cucheu', [6000, 6012, 6013], 1),
     'c_C_in_ZrC': ThermalTuple('czrc', [6000, 6012, 6013], 1),
+    'c_Ca': ThermalTuple('ca', [20040, 20042, 20043, 20044, 20046, 20048], 1),
     'c_Ca_in_CaH2': ThermalTuple('cacah2', [20040, 20042, 20043, 20044, 20046, 20048], 1),
+    'c_Ca_in_CaO2H2': ThermalTuple('cacaoh', [20040, 20042, 20043, 20044, 20046, 20048], 1),
+    'c_Cr': ThermalTuple('cr', [24050, 24052, 24053, 24054], 1),
+    'c_Cu': ThermalTuple('cu', [29063, 29065], 1),
     'c_D_in_7LiD': ThermalTuple('dlid', [1002], 1),
     'c_D_in_D2O': ThermalTuple('dd2o', [1002], 1),
     'c_D_in_D2O_solid': ThermalTuple('dice', [1002], 1),
+    'c_D_in_MgD2': ThermalTuple('dmgd2', [1002], 1),
     'c_F_in_Be2': ThermalTuple('fbef2', [9019], 1),
     'c_F_in_CF2': ThermalTuple('fcf2', [9019], 1),
     'c_F_in_FLiBe': ThermalTuple('fflibe', [9019], 1),
     'c_F_in_HF': ThermalTuple('f_hf', [9019], 1),
+    'c_F_in_LiF': ThermalTuple('flif', [9019], 1),
     'c_F_in_MgF2': ThermalTuple('fmgf2', [9019], 1),
     'c_Fe56': ThermalTuple('fe56', [26056], 1),
+    'c_Fe_in_Fe_alpha': ThermalTuple('fealph', [26054, 26056, 26057, 26058], 1),
+    'c_Fe_in_Fe_gamma': ThermalTuple('fegamm', [26054, 26056, 26057, 26058], 1),
+    'c_Ga_in_GaN': ThermalTuple('gagan', [31069, 31071], 1),
+    'c_Ga_in_GaSe': ThermalTuple('gagase', [31069, 31071], 1),
+    'c_Ge': ThermalTuple('ge', [32070, 32072, 32073, 32074, 32076], 1),
+    'c_Ge_in_Ge3Bi4O12': ThermalTuple('gegbo', [32070, 32072, 32073, 32074, 32076], 1),
+    'c_Ge_in_GeTe': ThermalTuple('gegete', [32070, 32072, 32073, 32074, 32076], 1),
     'c_Graphite': ThermalTuple('graph', [6000, 6012, 6013], 1),
     'c_Graphite_10p': ThermalTuple('grph10', [6000, 6012, 6013], 1),
     'c_Graphite_20p': ThermalTuple('grph20', [6000, 6012, 6013], 1),
@@ -54,7 +89,20 @@ _THERMAL_DATA = {
     'c_H_in_7LiH': ThermalTuple('hlih', [1001], 1),
     'c_H_in_C5O2H8': ThermalTuple('lucite', [1001], 1),
     'c_H_in_C8H8': ThermalTuple('hc8h8', [1001], 1),
+    'c_H_in_C19H16_liquid': ThermalTuple('h19liq', [1001], 1),
+    'c_H_in_C19H16_solid': ThermalTuple('h19sol', [1001], 1),
+    'c_H_in_C2H6O_liquid': ThermalTuple('hetliq', [1001], 1),
+    'c_H_in_C2H6O_solid': ThermalTuple('hetsol', [1001], 1),
+    'c_H_in_C6H6_liquid': ThermalTuple('hbzliq', [1001], 1),
+    'c_H_in_C6H6_solid': ThermalTuple('hbzsol', [1001], 1),
+    'c_H_in_C7H8_liquid': ThermalTuple('htlliq', [1001], 1),
+    'c_H_in_C7H8_solid': ThermalTuple('htlsol', [1001], 1),
+    'c_H_in_C8H10_liquid': ThermalTuple('hxyliq', [1001], 1),
+    'c_H_in_C8H10_solid': ThermalTuple('hxysol', [1001], 1),
+    'c_H_in_C9H12_liquid': ThermalTuple('hmsliq', [1001], 1),
+    'c_H_in_C9H12_solid': ThermalTuple('hmssol', [1001], 1),
     'c_H_in_CaH2': ThermalTuple('hcah2', [1001], 1),
+    'c_H_in_CaO2H2': ThermalTuple('hcaoh', [1001], 1),
     'c_H1_in_CaH2': ThermalTuple('h1cah2', [1001], 1),
     'c_H2_in_CaH2': ThermalTuple('h2cah2', [1001], 1),
     'c_H_in_CH2': ThermalTuple('hch2', [1001], 1),
@@ -64,32 +112,64 @@ _THERMAL_DATA = {
     'c_H_in_H2O': ThermalTuple('hh2o', [1001], 1),
     'c_H_in_H2O_solid': ThermalTuple('hice', [1001], 1),
     'c_H_in_HF': ThermalTuple('hhf', [1001], 1),
+    'c_H_in_KOH': ThermalTuple('hkoh', [1001], 1),
+    'c_H_in_LiH': ThermalTuple('hlih2', [1001], 1),
     'c_H_in_Mesitylene': ThermalTuple('mesi00', [1001], 1),
     'c_H_in_ParaffinicOil': ThermalTuple('hparaf', [1001], 1),
     'c_H_in_Toluene': ThermalTuple('tol00', [1001], 1),
+    'c_H_in_MgH2': ThermalTuple('hmgh2', [1001], 1),
+    'c_H_in_MgOH2': ThermalTuple('hmgoh', [1001], 1),
+    'c_H_in_NaMgH3': ThermalTuple('hnamg', [1001], 1),
+    'c_H_in_NaOH': ThermalTuple('hnaoh', [1001], 1),
+    'c_H_in_SrH2': ThermalTuple('hsrh2', [1001], 1),
     'c_H_in_UH3': ThermalTuple('huh3', [1001], 1),
     'c_H_in_YH2': ThermalTuple('hyh2', [1001], 1),
     'c_H_in_ZrH': ThermalTuple('hzrh', [1001], 1),
     'c_H_in_ZrH2': ThermalTuple('hzrh2', [1001], 1),
     'c_H_in_ZrHx': ThermalTuple('hzrhx', [1001], 1),
+    'c_I_in_NaI': ThermalTuple('inai', [53127], 1),
+    'c_K': ThermalTuple('k', [19039, 19040, 19041], 1),
+    'c_K_in_KOH': ThermalTuple('kkoh', [19039, 19040, 19041], 1),
     'c_Li_in_FLiBe': ThermalTuple('liflib', [3006, 3007], 1),
     'c_Li_in_7LiD': ThermalTuple('lilid', [3007], 1),
     'c_Li_in_7LiH': ThermalTuple('lilih', [3007], 1),
+    'c_Li_in_LiF': ThermalTuple('lilif', [3006, 3007], 1),
+    'c_Li_in_LiH': ThermalTuple('lilih2', [3006, 3007], 1),
     'c_Mg24': ThermalTuple('mg24', [12024], 1),
     'c_Mg_in_MgF2': ThermalTuple('mgmgf2', [12024, 12025, 12026], 1),
     'c_Mg_in_MgO': ThermalTuple('mgmgo', [12024, 12025, 12026], 1),
+    'c_Mg_in_MgD2': ThermalTuple('mgmgd2', [12024, 12025, 12026], 1),
+    'c_Mg_in_MgH2': ThermalTuple('mgmgh2', [12024, 12025, 12026], 1),
+    'c_Mg_in_MgOH2': ThermalTuple('mgoh2', [12024, 12025, 12026], 1),
+    'c_Mg_in_NaMgH3': ThermalTuple('mgnamg', [12024, 12025, 12026], 1),
+    'c_Mo': ThermalTuple('mo', [42092, 42094, 42095, 42096, 42097, 42098, 42100], 1),
+    'c_N_in_GaN': ThermalTuple('ngan', [7014, 7015], 1),
     'c_N_in_UN_100p': ThermalTuple('nun100', [7014, 7015], 1),
     'c_N_in_UN_10p': ThermalTuple('nun10', [7014, 7015], 1),
     'c_N_in_UN_5p': ThermalTuple('nun5', [7014, 7015], 1),
     'c_N_in_UN': ThermalTuple('n-un', [7014, 7015], 1),
     'c_N_in_UN_HALEU': ThermalTuple('nunhal', [7014, 7015], 1),
     'c_N_in_UN_HEU': ThermalTuple('nunheu', [7014, 7015], 1),
+    'c_Na': ThermalTuple('na', [11023], 1),
+    'c_Na_in_NaI': ThermalTuple('nanai', [11023], 1),
+    'c_Na_in_NaMgH3': ThermalTuple('nanamg', [11023], 1),
+    'c_Na_in_NaOH': ThermalTuple('nanaoh', [11023], 1),
+    'c_Nb': ThermalTuple('nb', [41093], 1),
+    'c_Ni': ThermalTuple('ni', [28058, 28060, 28061, 28062, 28064], 1),
     'c_O_in_Al2O3': ThermalTuple('osap00', [8016, 8017, 8018], 1),
     'c_O_in_BeO': ThermalTuple('obeo', [8016, 8017, 8018], 1),
     'c_O_in_C5O2H8': ThermalTuple('olucit', [8016, 8017, 8018], 1),
+    'c_O_in_C2H6O_liquid': ThermalTuple('oetliq', [8016, 8017, 8018], 1),
+    'c_O_in_C2H6O_solid': ThermalTuple('oetsol', [8016, 8017, 8018], 1),
+    'c_O_in_CaO2H2': ThermalTuple('ocaoh', [8016, 8017, 8018], 1),
     'c_O_in_D2O': ThermalTuple('od2o', [8016, 8017, 8018], 1),
     'c_O_in_H2O_solid': ThermalTuple('oice', [8016, 8017, 8018], 1),
     'c_O_in_MgO': ThermalTuple('omgo', [8016, 8017, 8018], 1),
+    'c_O_in_Ge3Bi4O12': ThermalTuple('ogbo', [8016, 8017, 8018], 1),
+    'c_O_in_H2O': ThermalTuple('oh2o', [8016, 8017, 8018], 1),
+    'c_O_in_KOH': ThermalTuple('okoh', [8016, 8017, 8018], 1),
+    'c_O_in_MgOH2': ThermalTuple('omgoh', [8016, 8017, 8018], 1),
+    'c_O_in_NaOH': ThermalTuple('onaoh', [8016, 8017, 8018], 1),
     'c_O_in_PuO2': ThermalTuple('opuo2', [8016, 8017, 8018], 1),
     'c_O_in_SiO2_alpha': ThermalTuple('osio2a', [8016, 8017, 8018], 1),
     'c_O_in_UO2_100p': ThermalTuple('ouo200', [8016, 8017, 8018], 1),
@@ -98,16 +178,26 @@ _THERMAL_DATA = {
     'c_O_in_UO2': ThermalTuple('ouo2', [8016, 8017, 8018], 1),
     'c_O_in_UO2_HALEU': ThermalTuple('ouo2hl', [8016, 8017, 8018], 1),
     'c_O_in_UO2_HEU': ThermalTuple('ouo2he', [8016, 8017, 8018], 1),
+    'c_O_in_Y3Al5O12': ThermalTuple('oyag', [8016, 8017, 8018], 1),
     'c_ortho_D': ThermalTuple('orthod', [1002], 1),
     'c_ortho_H': ThermalTuple('orthoh', [1001], 1),
     'c_para_D': ThermalTuple('parad', [1002], 1),
     'c_para_H': ThermalTuple('parah', [1001], 1),
+    'c_Pb': ThermalTuple('pb', [82204, 82206, 82207, 82208], 1),
+    'c_Pd': ThermalTuple('pd', [46102, 46104, 46105, 46106, 46108, 46110], 1),
+    'c_Pt': ThermalTuple('pt', [78190, 78192, 78194, 78195, 78196, 78198], 1),
     'c_Pu_in_PuO2': ThermalTuple('puo2', [94239, 94240, 94241, 94242, 94243], 1),
     'c_Si28': ThermalTuple('si00', [14028], 1),
     'c_Si_in_SiC': ThermalTuple('sisic', [14028, 14029, 14030], 1),
     'c_Si_in_SiO2_alpha': ThermalTuple('si_o2a', [14028, 14029, 14030], 1),
     'c_SiO2_alpha': ThermalTuple('sio2-a', [8016, 8017, 8018, 14028, 14029, 14030], 3),
     'c_SiO2_beta': ThermalTuple('sio2-b', [8016, 8017, 8018, 14028, 14029, 14030], 3),
+    'c_S_in_ZnS': ThermalTuple('szns', [16032, 16033, 16034, 16036], 1),
+    'c_Se_in_GaSe': ThermalTuple('segase', [34074, 34076, 34077, 34078, 34080, 34082], 1),
+    'c_Sn': ThermalTuple('sn', [50112, 50114, 50115, 50116, 50117, 50118, 50119, 50120, 50122, 50124], 1),
+    'c_Sr_in_SrH2': ThermalTuple('srsrh2', [38084, 38086, 38087, 38088], 1),
+    'c_Te_in_GeTe': ThermalTuple('tegete', [52120, 52122, 52123, 52124, 52125, 52126, 52128, 52130], 1),
+    'c_Ti': ThermalTuple('ti', [22046, 22047, 22048, 22049, 22050], 1),
     'c_U_metal_100p': ThermalTuple('u-100p', [92233, 92234, 92235, 92236, 92238], 1),
     'c_U_metal_10p': ThermalTuple('u-10p', [92233, 92234, 92235, 92236, 92238], 1),
     'c_U_metal_5p': ThermalTuple('u-5p', [92233, 92234, 92235, 92236, 92238], 1),
@@ -132,7 +222,13 @@ _THERMAL_DATA = {
     'c_U_in_UO2': ThermalTuple('uuo2', [92233, 92234, 92235, 92236, 92238], 1),
     'c_U_in_UO2_HALEU': ThermalTuple('uo2hal', [92233, 92234, 92235, 92236, 92238], 1),
     'c_U_in_UO2_HEU': ThermalTuple('uo2heu', [92233, 92234, 92235, 92236, 92238], 1),
+    'c_V': ThermalTuple('v', [23050, 23051], 1),
+    'c_W': ThermalTuple('w', [74180, 74182, 74183, 74184, 74186], 1),
+    'c_Y_in_Y3Al5O12': ThermalTuple('yyag', [39089], 1),
     'c_Y_in_YH2': ThermalTuple('yyh2', [39089], 1),
+    'c_Zn': ThermalTuple('zn', [30064, 30066, 30067, 30068, 30070], 1),
+    'c_Zn_in_ZnS': ThermalTuple('znzns', [30064, 30066, 30067, 30068, 30070], 1),
+    'c_Zr': ThermalTuple('zr', [40090, 40091, 40092, 40094, 40096], 1),
     'c_Zr_in_ZrC': ThermalTuple('zrzrc', [40000, 40090, 40091, 40092, 40094, 40096], 1),
     'c_Zr_in_ZrH': ThermalTuple('zrzrh', [40000, 40090, 40091, 40092, 40094, 40096], 1),
     'c_Zr_in_ZrH2': ThermalTuple('zrzrh2', [40000, 40090, 40091, 40092, 40094, 40096], 1),
@@ -565,7 +661,7 @@ def make_ace_thermal(filename, filename_thermal, temperatures=None,
     else:
         with warnings.catch_warnings(record=True) as w:
             proper_name = openmc.data.get_thermal_name(zsymam_thermal)
-            if w:
+            if w or proper_name not in _THERMAL_DATA:
                 raise RuntimeError(
                     f"Thermal scattering material {zsymam_thermal} not "
                     "recognized. Please contact OpenMC developers at "
diff --git a/openmc/data/thermal.py b/openmc/data/thermal.py
index 4ecc7c040..54e3a7330 100644
--- a/openmc/data/thermal.py
+++ b/openmc/data/thermal.py
@@ -27,20 +27,41 @@ from .thermal_angle_energy import (CoherentElasticAE, IncoherentElasticAE,
 
 
 _THERMAL_NAMES = {
+    'c_Ag': ('ag',),
     'c_Al27': ('al', 'al27', 'al-27', '13-al- 27'),
     'c_Al_in_Al2O3': ('asap00', 'asap', 'al(al2o3)'),
-    'c_Be': ('be', 'be-metal', 'be-met', 'be00', 'be-metal', 'be metal', '4-be'),
+    'c_Al_in_Y3Al5O12': ('al(y3al5o1', 'alyag'),
+    'c_Au': ('au',),
+    'c_Be': ('be', 'be-metal', 'be-met', 'be00', 'be-metal', 'be metal', '4-be', '4-be-'),
     'c_BeO': ('beo',),
     'c_Be_distinct': ('besd', 'be+sd'),
     'c_Be_in_BeO': ('bebeo', 'be-beo', 'be-o', 'be/o', 'bbeo00', 'be(beo)', 'be_beo'),
     'c_Be_in_Be2C': ('bebe2c', 'be(be2c)'),
     'c_Be_in_BeF2': ('bebef2', 'be in bef2'),
     'c_Be_in_FLiBe': ('beflib', 'be(flibe)'),
+    'c_Bi': ('83-bi-', 'bi'),
+    'c_Bi_in_Ge3Bi4O12': ('bi(ge3bi4o', 'bigbo'),
     'c_C6H6': ('benz', 'c6h6', 'benzine'),
     'c_C_in_Be2C': ('cbe2c', 'c(be2c)'),
+    'c_C_in_C19H16_liquid': ('c(c19h16)l', 'c19liq'),
+    'c_C_in_C19H16_solid': ('c(c19h16)s', 'c19sol'),
+    'c_C_in_C2H6O_liquid': ('c(c2h6o)l', 'ethliq'),
+    'c_C_in_C2H6O_solid': ('c(c2h6o)s', 'ethsol'),
     'c_C_in_C5O2H8': ('clucit', 'c(lucite)'),
+    'c_C_in_C6H6_liquid': ('c(c6h6)l', 'benzlq'),
+    'c_C_in_C6H6_solid': ('c(c6h6)s', 'benzsl'),
+    'c_C_in_C7H8_liquid': ('c(c7h8)l', 'tolliq'),
+    'c_C_in_C7H8_solid': ('c(c7h8)s', 'tolsol'),
     'c_C_in_C8H8': ('cc8h8', 'c(polystyr'),
+    'c_C_in_C8H10_liquid': ('c(m-c8h10)l', 'xylliq'),
+    'c_C_in_C8H10_solid': ('c(m-c8h10)s', 'xylsol'),
+    'c_C_in_C9H12_liquid': ('c(c9h12)l', 'mesliq'),
+    'c_C_in_C9H12_solid': ('c(c9h12)s', 'messol'),
     'c_C_in_CF2': ('ccf2', 'c(teflon)'),
+    'c_C_in_CH2': ('c(c2h4)n r', 'cch2'),
+    'c_C_in_CH4_liquid': ('c(ch4)l', 'cch4lq'),
+    'c_C_in_CH4_solid': ('c(ch4)s', 'cch4sl'),
+    'c_C_in_Diamond': ('c(c-diamon', 'cdiam'),
     'c_C_in_SiC': ('csic', 'c-sic', 'c(3c-sic)', 'c_sic'),
     'c_C_in_UC_100p': ('cuc100', 'cinuc_100p'),
     'c_C_in_UC_10p': ('cuc10', 'cinuc_10p'),
@@ -49,16 +70,29 @@ _THERMAL_NAMES = {
     'c_C_in_UC_HALEU': ('cuchal', 'cinuc_haleu'),
     'c_C_in_UC_HEU': ('cucheu', 'cinuc_heu'),
     'c_C_in_ZrC': ('czrc', 'c(zrc)'),
+    'c_Ca': ('ca',),
     'c_Ca_in_CaH2': ('cah', 'cah00', 'cacah2', 'ca(cah2)', 'ca_cah2'),
+    'c_Ca_in_CaO2H2': ('ca(caoh2)', 'cacaoh'),
+    'c_Cr': ('cr',),
+    'c_Cu': ('cu',),
     'c_D_in_7LiD': ('dlid', 'd(7lid)'),
     'c_D_in_D2O': ('dd2o', 'd-d2o', 'hwtr', 'hw', 'dhw00', 'd(d2o)'),
     'c_D_in_D2O_solid': ('dice',),
+    'c_D_in_MgD2': ('d(mgd2)', 'dmgd2'),
     'c_F_in_Be2': ('fbef2', 'f in bef2'),
     'c_F_in_CF2': ('fcf2', 'f(teflon)'),
     'c_F_in_FLiBe': ('fflibe', 'f(flibe)'),
     'c_F_in_HF': ('f_hf',),
+    'c_F_in_LiF': ('f(lif)', 'flif'),
     'c_F_in_MgF2': ('fmgf2', 'f in mgf2'),
     'c_Fe56': ('fe', 'fe56', 'fe-56', '26-fe- 56'),
+    'c_Fe_in_Fe_alpha': ('fe(fe-alph', 'fealph'),
+    'c_Fe_in_Fe_gamma': ('fe(fe-gamm', 'fegamm'),
+    'c_Ga_in_GaN': ('ga(gan)', 'gagan'),
+    'c_Ga_in_GaSe': ('ga(gase)', 'gagase'),
+    'c_Ge': ('ge',),
+    'c_Ge_in_Ge3Bi4O12': ('ge(ge3bi4o', 'gegbo'),
+    'c_Ge_in_GeTe': ('ge(gete)', 'gegete'),
     'c_Graphite': ('graph', 'grph', 'gr', 'gr00', 'graphite'),
     'c_Graphite_10p': ('grph10', '10p graphit'),
     'c_Graphite_20p': ('grph20', '20 graphite'),
@@ -68,41 +102,86 @@ _THERMAL_NAMES = {
     'c_H_in_C5O2H8': ('lucite', 'c5o2h8', 'h-luci', 'h(lucite)'),
     'c_H_in_C8H8': ('hc8h8', 'h(polystyr'),
     'c_H_in_CaH2': ('hcah2', 'hca00', 'h(cah2)'),
+    'c_H_in_CaO2H2': ('h(caoh2)', 'hcaoh'),
     'c_H1_in_CaH2': ('h1cah2', 'h1_cah2'),
     'c_H2_in_CaH2': ('h2cah2', 'h2_cah2'),
-    'c_H_in_CH2': ('hch2', 'poly', 'pol', 'h-poly', 'pol00', 'h(ch2)'),
-    'c_H_in_CH4_liquid': ('lch4', 'lmeth', 'l-ch4'),
-    'c_H_in_CH4_solid': ('sch4', 'smeth', 's-ch4'),
+    'c_H_in_C19H16_liquid': ('h(c19h16)l', 'h19liq'),
+    'c_H_in_C19H16_solid': ('h(c19h16)s', 'h19sol'),
+    'c_H_in_C2H6O_liquid': ('h(c2h6o)l', 'hetliq'),
+    'c_H_in_C2H6O_solid': ('h(c2h6o)s', 'hetsol'),
+    'c_H_in_C6H6_liquid': ('h(c6h6)l', 'hbzliq'),
+    'c_H_in_C6H6_solid': ('h(c6h6)s', 'hbzsol'),
+    'c_H_in_C7H8_liquid': ('h(c7h8)l', 'htlliq'),
+    'c_H_in_C7H8_solid': ('h(c7h8)s', 'htlsol'),
+    'c_H_in_C8H10_liquid': ('h(m-c8h10)l', 'hxyliq'),
+    'c_H_in_C8H10_solid': ('h(m-c8h10)s', 'hxysol'),
+    'c_H_in_C9H12_liquid': ('h(c9h12)l', 'hmsliq'),
+    'c_H_in_C9H12_solid': ('h(c9h12)s', 'hmssol'),
+    'c_H_in_CH2': ('hch2', 'poly', 'pol', 'h-poly', 'pol00', 'h(ch2)', 'h(c2h4)n r'),
+    'c_H_in_CH4_liquid': ('lch4', 'lmeth', 'l-ch4', 'h(ch4)l'),
+    'c_H_in_CH4_solid': ('sch4', 'smeth', 's-ch4', 'h(ch4)s'),
     'c_H_in_CH4_solid_phase_II': ('sch4p2',),
     'c_H_in_H2O': ('hh2o', 'h-h2o', 'lwtr', 'lw', 'lw00', 'h(h2o)'),
     'c_H_in_H2O_solid': ('hice', 'h-ice', 'ice00', 'h(ice-ih)', 'h(ice)'),
     'c_H_in_HF': ('hhf', 'h(hf)', 'h_hf'),
+    'c_H_in_KOH': ('h(koh)', 'hkoh'),
+    'c_H_in_LiH': ('h(lih)', 'hlih2'),
     'c_H_in_Mesitylene': ('mesi00', 'mesi', 'mesi-phii'),
+    'c_H_in_MgH2': ('h(mgh2)', 'hmgh2'),
+    'c_H_in_MgOH2': ('h(mgoh2)', 'hmgoh'),
+    'c_H_in_NaMgH3': ('h(namgh3)', 'hnamg'),
+    'c_H_in_NaOH': ('h(naoh)', 'hnaoh'),
     'c_H_in_ParaffinicOil': ('hparaf', 'h(paraffin', 'h(paraffini'),
+    'c_H_in_SrH2': ('h(srh2)', 'hsrh2'),
     'c_H_in_Toluene': ('tol00', 'tol', 'tolue-phii'),
     'c_H_in_UH3': ('huh3', 'h(uh3)'),
     'c_H_in_YH2': ('hyh2', 'h-yh2', 'h(yh2)'),
     'c_H_in_ZrH': ('hzrh', 'h-zrh', 'h-zr', 'h/zr', 'hzr', 'hzr00', 'h(zrh)'),
-    'c_H_in_ZrH2': ('hzrh2', 'h(zrh2)'),
-    'c_H_in_ZrHx': ('hzrhx', 'h(zrhx)'),
+    'c_H_in_ZrH2': ('hzrh2', 'h(zrh2)', 'h(zrh2) in'),
+    'c_H_in_ZrHx': ('hzrhx', 'h(zrhx)', 'h(zrh15) i'),
+    'c_I_in_NaI': ('i(nai)', 'inai'),
+    'c_K': ('k',),
+    'c_K_in_KOH': ('k(koh)', 'kkoh'),
     'c_Li_in_FLiBe': ('liflib', 'li(flibe)'),
     'c_Li_in_7LiD': ('lilid', '7li(7lid)'),
     'c_Li_in_7LiH': ('lilih', '7li(7lih)'),
+    'c_Li_in_LiF': ('li(lif)', 'lilif'),
+    'c_Li_in_LiH': ('li(lih)', 'lilih2'),
     'c_Mg24': ('mg', 'mg24', 'mg00', '24-mg'),
+    'c_Mg_in_MgD2': ('mg(mgd2)', 'mgmgd2'),
     'c_Mg_in_MgF2': ('mgmgf2', 'mg in mgf2'),
+    'c_Mg_in_MgH2': ('mg(mgh2)', 'mgmgh2'),
     'c_Mg_in_MgO': ('mgmgo', 'mg in mgo'),
+    'c_Mg_in_MgOH2': ('mg(mgoh2)', 'mgoh2'),
+    'c_Mg_in_NaMgH3': ('mg(namgh3)', 'mgnamg'),
+    'c_Mo': ('mo',),
+    'c_N_in_GaN': ('n(gan)', 'ngan'),
     'c_N_in_UN_100p': ('nun100', 'n-un-100p'),
     'c_N_in_UN_10p': ('nun10', 'n-un-10p'),
     'c_N_in_UN_5p': ('nun5', 'n-un-5p'),
     'c_N_in_UN': ('n-un', 'n(un)', 'n(un)    l', 'ninun'),
     'c_N_in_UN_HALEU': ('nunhal', 'n-un-haleu'),
     'c_N_in_UN_HEU': ('nunheu', 'n-un-heu'),
+    'c_Na': ('na',),
+    'c_Na_in_NaI': ('na(nai)', 'nanai'),
+    'c_Na_in_NaMgH3': ('na(namgh3)', 'nanamg'),
+    'c_Na_in_NaOH': ('na(naoh)', 'nanaoh'),
+    'c_Nb': ('nb',),
+    'c_Ni': ('ni',),
     'c_O_in_Al2O3': ('osap00', 'osap', 'o(al2o3)'),
     'c_O_in_BeO': ('obeo', 'o-beo', 'o-be', 'o/be', 'obeo00', 'o(beo)', 'o_beo'),
+    'c_O_in_C2H6O_liquid': ('o(c2h6o)l', 'oetliq'),
+    'c_O_in_C2H6O_solid': ('o(c2h6o)s', 'oetsol'),
     'c_O_in_C5O2H8': ('olucit', 'o(lucite)'),
+    'c_O_in_CaO2H2': ('o(caoh2)', 'ocaoh'),
     'c_O_in_D2O': ('od2o', 'o-d2o', 'ohw00', 'o(d2o)'),
+    'c_O_in_H2O': ('o(h2o)', 'oh2o'),
     'c_O_in_H2O_solid': ('oice', 'o-ice', 'o(ice-ih)'),
+    'c_O_in_Ge3Bi4O12': ('o(ge3bi4o1', 'ogbo'),
+    'c_O_in_KOH': ('o(koh)', 'okoh'),
     'c_O_in_MgO': ('omgo', 'o in mgo'),
+    'c_O_in_MgOH2': ('o(mgoh2)', 'omgoh'),
+    'c_O_in_NaOH': ('o(naoh)', 'onaoh'),
     'c_O_in_PuO2': ('opuo2', 'o in puo2'),
     'c_O_in_SiO2_alpha': ('osio2a', 'o_sio2a'),
     'c_O_in_UO2_100p': ('ouo200', 'o-uo2-100p'),
@@ -111,16 +190,26 @@ _THERMAL_NAMES = {
     'c_O_in_UO2': ('ouo2', 'o-uo2', 'o2-u', 'o2/u', 'ouo200', 'o(uo2)'),
     'c_O_in_UO2_HALEU': ('ouo2hl', 'ouo2-haleu'),
     'c_O_in_UO2_HEU': ('ouo2he', 'o_uo2-heu'),
+    'c_O_in_Y3Al5O12': ('o(y3al5o12', 'oyag'),
     'c_ortho_D': ('orthod', 'orthoD', 'dortho', 'od200', 'ortod', 'ortho-d'),
     'c_ortho_H': ('orthoh', 'orthoH', 'hortho', 'oh200', 'ortoh', 'ortho-h'),
     'c_para_D': ('parad', 'paraD', 'dpara', 'pd200', 'para-d'),
     'c_para_H': ('parah', 'paraH', 'hpara', 'ph200', 'para-h'),
+    'c_Pb': ('pb',),
+    'c_Pd': ('pd',),
+    'c_Pt': ('pt',),
     'c_Pu_in_PuO2': ('puo2', 'pu in puo2'),
     'c_Si28': ('si00', 'sili', 'si'),
     'c_Si_in_SiC': ('sisic', 'si-sic', 'si(3c-sic)', 'si_sic'),
     'c_Si_in_SiO2_alpha': ('si_o2a', 'si_sio2a'),
-    'c_SiO2_alpha': ('sio2', 'sio2a', 'sio2alpha'),
-    'c_SiO2_beta': ('sio2b', 'sio2beta'),
+    'c_SiO2_alpha': ('sio2', 'sio2a', 'sio2alpha', 'sio2-a'),
+    'c_SiO2_beta': ('sio2b', 'sio2beta', 'sio2-b'),
+    'c_S_in_ZnS': ('s(zns-spha', 'szns'),
+    'c_Se_in_GaSe': ('se(gase)', 'segase'),
+    'c_Sn': ('sn',),
+    'c_Sr_in_SrH2': ('sr(srh2)', 'srsrh2'),
+    'c_Te_in_GeTe': ('te(gete)', 'tegete'),
+    'c_Ti': ('ti',),
     'c_U_metal_100p': ('u-100p',),
     'c_U_metal_10p': ('u-10p',),
     'c_U_metal_5p': ('u-5p',),
@@ -145,11 +234,17 @@ _THERMAL_NAMES = {
     'c_U_in_UO2': ('uuo2', 'u-uo2', 'u-o2', 'u/o2', 'uuo200', 'u(uo2)'),
     'c_U_in_UO2_HALEU': ('uo2hal', 'uuo2-haleu'),
     'c_U_in_UO2_HEU': ('uo2heu', 'u_uo2-heu'),
+    'c_V': ('v',),
+    'c_W': ('w',),
+    'c_Y_in_Y3Al5O12': ('y(y3al5o12', 'yyag'),
     'c_Y_in_YH2': ('yyh2', 'y-yh2', 'y(yh2)'),
+    'c_Zn': ('zn',),
+    'c_Zn_in_ZnS': ('zn(zns-sph', 'znzns'),
+    'c_Zr': ('zr',),
     'c_Zr_in_ZrC': ('zrzrc', 'zr(zrc)'),
     'c_Zr_in_ZrH': ('zrzrh', 'zr-zrh', 'zr-h', 'zr/h', 'zr(zrh)'),
-    'c_Zr_in_ZrH2': ('zrzrh2', 'zr(zrh2)'),
-    'c_Zr_in_ZrHx': ('zrzrhx', 'zr(zrhx)'),
+    'c_Zr_in_ZrH2': ('zrzrh2', 'zr(zrh2)', 'zr(zrh2) i'),
+    'c_Zr_in_ZrHx': ('zrzrhx', 'zr(zrhx)', 'zr(zrh15)'),
 }
 
 
diff --git a/tests/unit_tests/test_data_thermal.py b/tests/unit_tests/test_data_thermal.py
index c444d0c58..7cd63ca71 100644
--- a/tests/unit_tests/test_data_thermal.py
+++ b/tests/unit_tests/test_data_thermal.py
@@ -6,6 +6,8 @@ import random
 import numpy as np
 import pytest
 import openmc.data
+from openmc.data.thermal import _THERMAL_NAMES
+from openmc.data.njoy import _THERMAL_DATA
 
 from . import needs_njoy
 
@@ -258,6 +260,27 @@ def test_get_thermal_name():
         assert f('boogie_monster') == 'c_boogie_monster'
 
 
+def test_thermal_names_data_consistency():
+    # Check that keys in _THERMAL_NAMES are also in _THERMAL_DATA
+    names_only = set(_THERMAL_NAMES.keys()) - set(_THERMAL_DATA.keys())
+    assert not names_only, f"Keys in _THERMAL_NAMES but not in _THERMAL_DATA: {names_only}"
+
+    # Check that keys in _THERMAL_DATA are also in _THERMAL_NAMES
+    data_only = set(_THERMAL_DATA.keys()) - set(_THERMAL_NAMES.keys())
+    assert not data_only, f"Keys in _THERMAL_DATA but not in _THERMAL_NAMES: {data_only}"
+
+    # Check that the name from each ThermalTuple in _THERMAL_DATA appears as
+    # a recognized alias in _THERMAL_NAMES for the same key
+    missing_aliases = []
+    for key, thermal_tuple in _THERMAL_DATA.items():
+        name = thermal_tuple.name
+        if name not in _THERMAL_NAMES[key]:
+            missing_aliases.append((key, name, _THERMAL_NAMES[key]))
+    assert not missing_aliases, (
+        f"ThermalTuple names not in _THERMAL_NAMES aliases: {missing_aliases}"
+    )
+
+
 @pytest.fixture
 def fake_mixed_elastic():
     fake_tsl = openmc.data.ThermalScattering("c_D_in_7LiD", 1.9968, 4.9, [0.0253])

From 9c91bddf0402ba7e9b1ff94da2b73a46cc750811 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 2 Jan 2026 06:43:25 -0500
Subject: [PATCH 2468/2654] Migrate to SciPy sparse arrays (#3613)

---
 openmc/_sparse_compat.py | 43 ++++++++++++++++++++++++++++++++++++++++
 openmc/cmfd.py           |  8 ++++----
 openmc/deplete/abc.py    |  6 +++---
 openmc/deplete/chain.py  | 20 +++++++++----------
 openmc/deplete/cram.py   |  8 ++++----
 openmc/deplete/pool.py   |  7 ++++---
 openmc/tallies.py        | 35 +++++++++++++-------------------
 7 files changed, 82 insertions(+), 45 deletions(-)
 create mode 100644 openmc/_sparse_compat.py

diff --git a/openmc/_sparse_compat.py b/openmc/_sparse_compat.py
new file mode 100644
index 000000000..c00777e19
--- /dev/null
+++ b/openmc/_sparse_compat.py
@@ -0,0 +1,43 @@
+"""Compatibility module for scipy.sparse arrays
+
+This module provides a compatibility layer for working with scipy.sparse arrays
+across different scipy versions. Sparse arrays were introduced gradually in
+scipy, with full support arriving in scipy 1.15. This module provides a unified
+API that uses sparse arrays when available and falls back to sparse matrices for
+older scipy versions.
+
+For more information on the migration from sparse matrices to sparse arrays,
+see: https://docs.scipy.org/doc/scipy/reference/sparse.migration_to_sparray.html
+"""
+
+import scipy
+from scipy import sparse as sp
+
+# Check scipy version for feature availability
+_SCIPY_VERSION = tuple(map(int, scipy.__version__.split('.')[:2]))
+
+if _SCIPY_VERSION >= (1, 15):
+    # Use sparse arrays
+    csr_array = sp.csr_array
+    csc_array = sp.csc_array
+    dok_array = sp.dok_array
+    lil_array = sp.lil_array
+    eye_array = sp.eye_array
+    block_array = sp.block_array
+else:
+    # Fall back to sparse matrices
+    csr_array = sp.csr_matrix
+    csc_array = sp.csc_matrix
+    dok_array = sp.dok_matrix
+    lil_array = sp.lil_matrix
+    eye_array = sp.eye
+    block_array = sp.bmat
+
+__all__ = [
+    'csr_array',
+    'csc_array',
+    'dok_array',
+    'lil_array',
+    'eye_array',
+    'block_array',
+]
diff --git a/openmc/cmfd.py b/openmc/cmfd.py
index eff6a151f..8595d1e02 100644
--- a/openmc/cmfd.py
+++ b/openmc/cmfd.py
@@ -25,6 +25,7 @@ import openmc.lib
 from .checkvalue import (check_type, check_length, check_value,
                          check_greater_than, check_less_than)
 from .exceptions import OpenMCError
+from ._sparse_compat import csr_array
 
 # See if mpi4py module can be imported, define have_mpi global variable
 try:
@@ -980,8 +981,7 @@ class CMFDRun:
         loss_row = self._loss_row
         loss_col = self._loss_col
         temp_data = np.ones(len(loss_row))
-        temp_loss = sparse.csr_matrix((temp_data, (loss_row, loss_col)),
-                                      shape=(n, n))
+        temp_loss = csr_array((temp_data, (loss_row, loss_col)), shape=(n, n))
         temp_loss.sort_indices()
 
         # Pass coremap as 1-d array of 32-bit integers
@@ -1585,7 +1585,7 @@ class CMFDRun:
         # Create csr matrix
         loss_row = self._loss_row
         loss_col = self._loss_col
-        loss = sparse.csr_matrix((data, (loss_row, loss_col)), shape=(n, n))
+        loss = csr_array((data, (loss_row, loss_col)), shape=(n, n))
         loss.sort_indices()
         return loss
 
@@ -1612,7 +1612,7 @@ class CMFDRun:
         # Create csr matrix
         prod_row = self._prod_row
         prod_col = self._prod_col
-        prod = sparse.csr_matrix((data, (prod_row, prod_col)), shape=(n, n))
+        prod = csr_array((data, (prod_row, prod_col)), shape=(n, n))
         prod.sort_indices()
         return prod
 
diff --git a/openmc/deplete/abc.py b/openmc/deplete/abc.py
index 32f468306..ee742f22b 100644
--- a/openmc/deplete/abc.py
+++ b/openmc/deplete/abc.py
@@ -600,7 +600,7 @@ class Integrator(ABC):
         User-supplied functions are expected to have the following signature:
         ``solver(A, n0, t) -> n1`` where
 
-            * ``A`` is a :class:`scipy.sparse.csc_matrix` making up the
+            * ``A`` is a :class:`scipy.sparse.csc_array` making up the
               depletion matrix
             * ``n0`` is a 1-D :class:`numpy.ndarray` of initial compositions
               for a given material in atoms/cm3
@@ -1134,7 +1134,7 @@ class SIIntegrator(Integrator):
         User-supplied functions are expected to have the following signature:
         ``solver(A, n0, t) -> n1`` where
 
-            * ``A`` is a :class:`scipy.sparse.csc_matrix` making up the
+            * ``A`` is a :class:`scipy.sparse.csc_array` making up the
               depletion matrix
             * ``n0`` is a 1-D :class:`numpy.ndarray` of initial compositions
               for a given material in atoms/cm3
@@ -1297,7 +1297,7 @@ class DepSystemSolver(ABC):
 
         Parameters
         ----------
-        A : scipy.sparse.csc_matrix
+        A : scipy.sparse.csc_array
             Sparse transmutation matrix ``A[j, i]`` describing rates at
             which isotope ``i`` transmutes to isotope ``j``
         n0 : numpy.ndarray
diff --git a/openmc/deplete/chain.py b/openmc/deplete/chain.py
index 873d7ca89..a835face7 100644
--- a/openmc/deplete/chain.py
+++ b/openmc/deplete/chain.py
@@ -17,13 +17,13 @@ from warnings import warn
 from typing import List
 
 import lxml.etree as ET
-import scipy.sparse as sp
 
 from openmc.checkvalue import check_type, check_greater_than, PathLike
 from openmc.data import gnds_name, zam
 from openmc.exceptions import DataError
 from .nuclide import FissionYieldDistribution, Nuclide
 from .._xml import get_text
+from .._sparse_compat import csc_array, dok_array
 import openmc.data
 
 
@@ -619,7 +619,7 @@ class Chain:
 
         Returns
         -------
-        scipy.sparse.csc_matrix
+        scipy.sparse.csc_array
             Sparse matrix representing depletion.
 
         See Also
@@ -713,7 +713,7 @@ class Chain:
                 reactions.clear()
 
         # Return CSC representation instead of DOK
-        return sp.csc_matrix((vals, (rows, cols)), shape=(n, n))
+        return csc_array((vals, (rows, cols)), shape=(n, n))
 
     def add_redox_term(self, matrix, buffer, oxidation_states):
         r"""Adds a redox term to the depletion matrix from data contained in
@@ -731,7 +731,7 @@ class Chain:
 
         Parameters
         ----------
-        matrix : scipy.sparse.csc_matrix
+        matrix : scipy.sparse.csc_array
             Sparse matrix representing depletion
         buffer : dict
             Dictionary of buffer nuclides used to maintain anoins net balance.
@@ -743,7 +743,7 @@ class Chain:
             states as integers (e.g., +1, 0).
         Returns
         -------
-        matrix : scipy.sparse.csc_matrix
+        matrix : scipy.sparse.csc_array
             Sparse matrix with redox term added
         """
         # Elements list with the same size as self.nuclides
@@ -769,7 +769,7 @@ class Chain:
         for nuc, idx in buffer_idx.items():
             array[idx] -= redox_change * buffer[nuc] / os[idx]
 
-        return sp.csc_matrix(array)
+        return csc_array(array)
 
     def form_rr_term(self, tr_rates, current_timestep, mats):
         """Function to form the transfer rate term matrices.
@@ -800,13 +800,13 @@ class Chain:
 
         Returns
         -------
-        scipy.sparse.csc_matrix
+        scipy.sparse.csc_array
             Sparse matrix representing transfer term.
 
         """
         # Use DOK as intermediate representation
         n = len(self)
-        matrix = sp.dok_matrix((n, n))
+        matrix = dok_array((n, n))
 
         for i, nuc in enumerate(self.nuclides):
             elm = re.split(r'\d+', nuc.name)[0]
@@ -857,7 +857,7 @@ class Chain:
 
         Returns
         -------
-        scipy.sparse.csc_matrix
+        scipy.sparse.csc_array
             Sparse vector representing external source term.
 
         """
@@ -865,7 +865,7 @@ class Chain:
             return
         # Use DOK as intermediate representation
         n = len(self)
-        vector = sp.dok_matrix((n, 1))
+        vector = dok_array((n, 1))
 
         for i, nuc in enumerate(self.nuclides):
             # Build source term vector
diff --git a/openmc/deplete/cram.py b/openmc/deplete/cram.py
index 53de83bb6..cecc388f4 100644
--- a/openmc/deplete/cram.py
+++ b/openmc/deplete/cram.py
@@ -6,11 +6,11 @@ Implements two different forms of CRAM for use in openmc.deplete.
 import numbers
 
 import numpy as np
-import scipy.sparse as sp
 import scipy.sparse.linalg as sla
 
 from openmc.checkvalue import check_type, check_length
 from .abc import DepSystemSolver
+from .._sparse_compat import csc_array, eye_array
 
 __all__ = ["CRAM16", "CRAM48", "Cram16Solver", "Cram48Solver", "IPFCramSolver"]
 
@@ -60,7 +60,7 @@ class IPFCramSolver(DepSystemSolver):
 
         Parameters
         ----------
-        A : scipy.sparse.csr_matrix
+        A : scipy.sparse.csc_array
             Sparse transmutation matrix ``A[j, i]`` desribing rates at
             which isotope ``i`` transmutes to isotope ``j``
         n0 : numpy.ndarray
@@ -75,9 +75,9 @@ class IPFCramSolver(DepSystemSolver):
             Final compositions after ``dt``
 
         """
-        A = dt * sp.csc_matrix(A, dtype=np.float64)
+        A = dt * csc_array(A, dtype=np.float64)
         y = n0.copy()
-        ident = sp.eye(A.shape[0], format='csc')
+        ident = eye_array(A.shape[0], format='csc')
         for alpha, theta in zip(self.alpha, self.theta):
             y += 2*np.real(alpha*sla.spsolve(A - theta*ident, y))
         return y * self.alpha0
diff --git a/openmc/deplete/pool.py b/openmc/deplete/pool.py
index aa348c02a..58f90894b 100644
--- a/openmc/deplete/pool.py
+++ b/openmc/deplete/pool.py
@@ -5,10 +5,11 @@ Provided to avoid some circular imports
 from itertools import repeat, starmap
 from multiprocessing import Pool
 
-from scipy.sparse import bmat, hstack, vstack, csc_matrix
 import numpy as np
+from scipy.sparse import hstack
 
 from openmc.mpi import comm
+from .._sparse_compat import block_array
 
 # Configurable switch that enables / disables the use of
 # multiprocessing routines during depletion
@@ -159,7 +160,7 @@ def deplete(func, chain, n, rates, dt, current_timestep=None, matrix_func=None,
                             cols.append(None)
 
                     rows.append(cols)
-                matrix = bmat(rows)
+                matrix = block_array(rows)
 
                 # Concatenate vectors of nuclides in one
                 n_multi = np.concatenate(n)
@@ -194,7 +195,7 @@ def deplete(func, chain, n, rates, dt, current_timestep=None, matrix_func=None,
         # of the nuclide vectors
         for i, matrix in enumerate(matrices):
             if not np.equal(*matrix.shape):
-                matrices[i] = vstack([matrix, csc_matrix([0]*matrix.shape[1])])
+                matrix.resize(matrix.shape[1], matrix.shape[1])
                 n[i] = np.append(n[i], 1.0)
 
     inputs = zip(matrices, n, repeat(dt))
diff --git a/openmc/tallies.py b/openmc/tallies.py
index 09365e525..7b1ef0219 100644
--- a/openmc/tallies.py
+++ b/openmc/tallies.py
@@ -12,11 +12,11 @@ import lxml.etree as ET
 import h5py
 import numpy as np
 import pandas as pd
-import scipy.sparse as sps
 from scipy.stats import chi2, norm
 
 import openmc
 import openmc.checkvalue as cv
+from ._sparse_compat import lil_array
 from ._xml import clean_indentation, get_elem_list, get_text
 from .mixin import IDManagerMixin
 from .mesh import MeshBase
@@ -435,10 +435,10 @@ class Tally(IDManagerMixin):
 
             # Convert NumPy arrays to SciPy sparse LIL matrices
             if self.sparse:
-                self._sum = sps.lil_matrix(self._sum.flatten(), self._sum.shape)
-                self._sum_sq = sps.lil_matrix(self._sum_sq.flatten(), self._sum_sq.shape)
-                self._sum_third = sps.lil_matrix(self._sum_third.flatten(), self._sum_third.shape)
-                self._sum_fourth = sps.lil_matrix(self.sum_fourth.flatten(), self._sum_fourth.shape)
+                self._sum = lil_array(self._sum.flatten(), self._sum.shape)
+                self._sum_sq = lil_array(self._sum_sq.flatten(), self._sum_sq.shape)
+                self._sum_third = lil_array(self._sum_third.flatten(), self._sum_third.shape)
+                self._sum_fourth = lil_array(self._sum_fourth.flatten(), self._sum_fourth.shape)
 
             # Read simulation time (needed for figure of merit)
             self._simulation_time = f["runtime"]["simulation"][()]
@@ -534,8 +534,7 @@ class Tally(IDManagerMixin):
 
             # Convert NumPy array to SciPy sparse LIL matrix
             if self.sparse:
-                self._mean = sps.lil_matrix(self._mean.flatten(),
-                                            self._mean.shape)
+                self._mean = lil_array(self._mean.flatten(), self._mean.shape)
 
         if self.sparse:
             return np.reshape(self._mean.toarray(), self.shape)
@@ -556,8 +555,7 @@ class Tally(IDManagerMixin):
 
             # Convert NumPy array to SciPy sparse LIL matrix
             if self.sparse:
-                self._std_dev = sps.lil_matrix(self._std_dev.flatten(),
-                                               self._std_dev.shape)
+                self._std_dev = lil_array(self._std_dev.flatten(), self._std_dev.shape)
 
             self.with_batch_statistics = True
 
@@ -588,7 +586,7 @@ class Tally(IDManagerMixin):
             self._vov[mask] = numerator[mask]/denominator[mask] - 1.0/n
 
             if self.sparse:
-                self._vov = sps.lil_matrix(self._vov.flatten(), self._vov.shape)
+                self._vov = lil_array(self._vov.flatten(), self._vov.shape)
 
         if self.sparse:
             return np.reshape(self._vov.toarray(), self.shape)
@@ -963,22 +961,17 @@ class Tally(IDManagerMixin):
         # Convert NumPy arrays to SciPy sparse LIL matrices
         if sparse and not self.sparse:
             if self._sum is not None:
-                self._sum = sps.lil_matrix(self._sum.flatten(), self._sum.shape)
+                self._sum = lil_array(self._sum.flatten(), self._sum.shape)
             if self._sum_sq is not None:
-                self._sum_sq = sps.lil_matrix(self._sum_sq.flatten(),
-                                              self._sum_sq.shape)
+                self._sum_sq = lil_array(self._sum_sq.flatten(), self._sum_sq.shape)
             if self._sum_third is not None:
-                self._sum_third = sps.lil_matrix(self._sum_third.flatten(),
-                                                 self._sum_third.shape)
+                self._sum_third = lil_array(self._sum_third.flatten(), self._sum_third.shape)
             if self._sum_fourth is not None:
-                self._sum_fourth = sps.lil_matrix(self._sum_fourth.flatten(),
-                                                  self._sum_fourth.shape)
+                self._sum_fourth = lil_array(self._sum_fourth.flatten(), self._sum_fourth.shape)
             if self._mean is not None:
-                self._mean = sps.lil_matrix(self._mean.flatten(),
-                                            self._mean.shape)
+                self._mean = lil_array(self._mean.flatten(), self._mean.shape)
             if self._std_dev is not None:
-                self._std_dev = sps.lil_matrix(self._std_dev.flatten(),
-                                               self._std_dev.shape)
+                self._std_dev = lil_array(self._std_dev.flatten(), self._std_dev.shape)
 
             self._sparse = True
 

From 60ddafa9b385490ac5935ca0420634c2bba398a7 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Mon, 5 Jan 2026 21:57:05 +0100
Subject: [PATCH 2469/2654] Open dagmc model file within a context manager
 (#3706)

---
 openmc/dagmc.py | 26 ++++++++++++--------------
 1 file changed, 12 insertions(+), 14 deletions(-)

diff --git a/openmc/dagmc.py b/openmc/dagmc.py
index 3cb48ddf1..fd4258225 100644
--- a/openmc/dagmc.py
+++ b/openmc/dagmc.py
@@ -223,21 +223,19 @@ class DAGMCUniverse(openmc.UniverseBase):
 
     @property
     def material_names(self):
-        dagmc_file_contents = h5py.File(self.filename)
-        material_tags_hex = dagmc_file_contents['/tstt/tags/NAME'].get(
-            'values')
         material_tags_ascii = []
-        for tag in material_tags_hex:
-            candidate_tag = tag.tobytes().decode().replace('\x00', '')
-            # tags might be for temperature or reflective surfaces
-            if candidate_tag.startswith('mat:'):
-                # if name ends with _comp remove it, it is not parsed
-                if candidate_tag.endswith('_comp'):
-                   candidate_tag = candidate_tag[:-5]
-                # removes first 4 characters as openmc.Material name should be
-                # set without the 'mat:' part of the tag
-                material_tags_ascii.append(candidate_tag[4:])
-
+        with h5py.File(self.filename) as dagmc_file_contents:
+            material_tags_hex = dagmc_file_contents['/tstt/tags/NAME'].get('values')
+            for tag in material_tags_hex:
+                candidate_tag = tag.tobytes().decode().replace('\x00', '')
+                # tags might be for temperature or reflective surfaces
+                if candidate_tag.startswith('mat:'):
+                    # if name ends with _comp remove it, it is not parsed
+                    if candidate_tag.endswith('_comp'):
+                       candidate_tag = candidate_tag[:-5]
+                    # removes first 4 characters as openmc.Material name should be
+                    # set without the 'mat:' part of the tag
+                    material_tags_ascii.append(candidate_tag[4:])
         return sorted(set(material_tags_ascii))
 
     def _n_geom_elements(self, geom_type):

From 818fd11b18fa1d089a0c1ae648939e23b56aa185 Mon Sep 17 00:00:00 2001
From: GuySten <62616591+GuySten@users.noreply.github.com>
Date: Tue, 6 Jan 2026 11:29:46 +0200
Subject: [PATCH 2470/2654] Simplify rectangular lattice crossing and correctly
 handle corner checks (#3703)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 src/lattice.cpp                               |  54 ++---
 .../lattice_corner_crossing/__init__.py       |   0
 .../lattice_corner_crossing/inputs_true.dat   |  58 +++++
 .../lattice_corner_crossing/results_true.dat  | 201 ++++++++++++++++++
 .../lattice_corner_crossing/test.py           |  83 ++++++++
 5 files changed, 358 insertions(+), 38 deletions(-)
 create mode 100644 tests/regression_tests/lattice_corner_crossing/__init__.py
 create mode 100644 tests/regression_tests/lattice_corner_crossing/inputs_true.dat
 create mode 100644 tests/regression_tests/lattice_corner_crossing/results_true.dat
 create mode 100644 tests/regression_tests/lattice_corner_crossing/test.py

diff --git a/src/lattice.cpp b/src/lattice.cpp
index efbfcb216..92d451f61 100644
--- a/src/lattice.cpp
+++ b/src/lattice.cpp
@@ -260,46 +260,24 @@ std::pair<double, array<int, 3>> RectLattice::distance(
   // Determine the oncoming edge.
   double x0 {copysign(0.5 * pitch_[0], u.x)};
   double y0 {copysign(0.5 * pitch_[1], u.y)};
+  double z0;
 
-  // Left and right sides
-  double d {INFTY};
-  array<int, 3> lattice_trans;
-  if ((std::abs(x - x0) > FP_PRECISION) && u.x != 0) {
-    d = (x0 - x) / u.x;
-    if (u.x > 0) {
-      lattice_trans = {1, 0, 0};
-    } else {
-      lattice_trans = {-1, 0, 0};
-    }
-  }
-
-  // Front and back sides
-  if ((std::abs(y - y0) > FP_PRECISION) && u.y != 0) {
-    double this_d = (y0 - y) / u.y;
-    if (this_d < d) {
-      d = this_d;
-      if (u.y > 0) {
-        lattice_trans = {0, 1, 0};
-      } else {
-        lattice_trans = {0, -1, 0};
-      }
-    }
-  }
-
-  // Top and bottom sides
+  double d = std::min(
+    u.x != 0.0 ? (x0 - x) / u.x : INFTY, u.y != 0.0 ? (y0 - y) / u.y : INFTY);
   if (is_3d_) {
-    double z0 {copysign(0.5 * pitch_[2], u.z)};
-    if ((std::abs(z - z0) > FP_PRECISION) && u.z != 0) {
-      double this_d = (z0 - z) / u.z;
-      if (this_d < d) {
-        d = this_d;
-        if (u.z > 0) {
-          lattice_trans = {0, 0, 1};
-        } else {
-          lattice_trans = {0, 0, -1};
-        }
-      }
-    }
+    z0 = copysign(0.5 * pitch_[2], u.z);
+    d = std::min(d, u.z != 0.0 ? (z0 - z) / u.z : INFTY);
+  }
+
+  // Determine which lattice boundaries are being crossed
+  array<int, 3> lattice_trans = {0, 0, 0};
+  if (u.x != 0.0 && std::abs(x + u.x * d - x0) < FP_PRECISION)
+    lattice_trans[0] = copysign(1, u.x);
+  if (u.y != 0.0 && std::abs(y + u.y * d - y0) < FP_PRECISION)
+    lattice_trans[1] = copysign(1, u.y);
+  if (is_3d_) {
+    if (u.z != 0.0 && std::abs(z + u.z * d - z0) < FP_PRECISION)
+      lattice_trans[2] = copysign(1, u.z);
   }
 
   return {d, lattice_trans};
diff --git a/tests/regression_tests/lattice_corner_crossing/__init__.py b/tests/regression_tests/lattice_corner_crossing/__init__.py
new file mode 100644
index 000000000..e69de29bb
diff --git a/tests/regression_tests/lattice_corner_crossing/inputs_true.dat b/tests/regression_tests/lattice_corner_crossing/inputs_true.dat
new file mode 100644
index 000000000..4b49b1403
--- /dev/null
+++ b/tests/regression_tests/lattice_corner_crossing/inputs_true.dat
@@ -0,0 +1,58 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material id="1">
+      <density value="0.001" units="g/cm3"/>
+      <nuclide name="N14" ao="1.0"/>
+    </material>
+    <material id="2">
+      <density value="7.0" units="g/cm3"/>
+      <nuclide name="Fe56" ao="1.0"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="2" universe="1"/>
+    <cell id="2" material="1" universe="2"/>
+    <cell id="3" material="1" region="-5 (-1 | 2 | -3 | 4)" universe="4"/>
+    <cell id="4" fill="3" region="1 -2 3 -4" universe="4"/>
+    <lattice id="3">
+      <pitch>10.0 10.0</pitch>
+      <dimension>2 2</dimension>
+      <lower_left>-10.0 -10.0</lower_left>
+      <universes>
+1 2 
+2 1 </universes>
+    </lattice>
+    <surface id="1" name="minimum x" type="x-plane" coeffs="-10.0"/>
+    <surface id="2" name="maximum x" type="x-plane" coeffs="10.0"/>
+    <surface id="3" name="minimum y" type="y-plane" coeffs="-10.0"/>
+    <surface id="4" name="maximum y" type="y-plane" coeffs="10.0"/>
+    <surface id="5" type="z-cylinder" boundary="vacuum" coeffs="0.0 0.0 20.0"/>
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>1000</particles>
+    <batches>10</batches>
+    <source type="independent" strength="1.0" particle="neutron">
+      <space type="point">
+        <parameters>-0.7071067811865476 -0.7071067811865475 0.0</parameters>
+      </space>
+      <angle type="monodirectional" reference_uvw="0.7071067811865476 0.7071067811865475 0.0"/>
+    </source>
+  </settings>
+  <tallies>
+    <mesh id="1">
+      <dimension>10 10</dimension>
+      <lower_left>-20.0 -20.0</lower_left>
+      <upper_right>20.0 20.0</upper_right>
+    </mesh>
+    <filter id="1" type="mesh">
+      <bins>1</bins>
+    </filter>
+    <tally id="1">
+      <filters>1</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/lattice_corner_crossing/results_true.dat b/tests/regression_tests/lattice_corner_crossing/results_true.dat
new file mode 100644
index 000000000..bd81cf535
--- /dev/null
+++ b/tests/regression_tests/lattice_corner_crossing/results_true.dat
@@ -0,0 +1,201 @@
+tally 1:
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+2.648775E-03
+7.016009E-06
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+2.981847E-03
+8.891414E-06
+3.331677E-03
+1.110007E-05
+6.742237E-03
+4.545776E-05
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+4.388206E-03
+1.925636E-05
+2.032104E-03
+4.129446E-06
+3.014946E-03
+9.089898E-06
+7.058968E-03
+4.982903E-05
+9.013188E-04
+8.123755E-07
+7.501461E-04
+5.627191E-07
+0.000000E+00
+0.000000E+00
+5.134898E-03
+2.636718E-05
+1.207302E-03
+1.457579E-06
+3.045925E-03
+9.277657E-06
+4.132399E-03
+1.707672E-05
+1.055271E-02
+5.829711E-05
+4.014909E-03
+1.611949E-05
+2.698215E-03
+7.280363E-06
+1.751215E-02
+1.073504E-04
+1.356908E-02
+9.589157E-05
+5.451466E-03
+2.971848E-05
+3.165676E-04
+1.002151E-07
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+3.724938E-03
+1.387516E-05
+2.812863E-03
+7.278837E-06
+1.000700E+01
+1.001402E+01
+2.345904E-02
+2.127641E-04
+2.451653E-02
+1.750725E-04
+8.695904E-03
+5.553981E-05
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+4.947565E-03
+2.447840E-05
+1.725721E-02
+8.878803E-05
+5.656444E+01
+3.199538E+02
+2.159961E-02
+1.034364E-04
+3.091063E-02
+5.543317E-04
+4.232209E-03
+1.791159E-05
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+4.716170E-03
+2.224226E-05
+1.321855E-02
+5.288265E-05
+5.309576E-02
+7.984865E-04
+5.656179E+01
+3.199238E+02
+2.399311E-02
+2.936670E-04
+4.680753E-02
+9.526509E-04
+1.074699E-02
+1.154978E-04
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+4.526425E-03
+2.048853E-05
+3.983003E-03
+9.553596E-06
+1.726789E-02
+9.579848E-05
+3.355605E-02
+3.331438E-04
+3.578422E-02
+3.560242E-04
+5.649209E+01
+3.191358E+02
+2.591495E-02
+4.169753E-04
+9.484744E-03
+8.065715E-05
+0.000000E+00
+0.000000E+00
+4.232587E-03
+9.113263E-06
+5.787378E-03
+2.194940E-05
+6.193626E-03
+2.357423E-05
+4.552787E-03
+6.987360E-06
+9.641308E-03
+3.506339E-05
+1.303892E-02
+4.378408E-05
+1.831744E-02
+8.836683E-05
+3.024725E+01
+9.148969E+01
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+1.488204E-03
+2.214752E-06
+5.067487E-03
+1.520987E-05
+7.550927E-03
+2.993991E-05
+3.215559E-03
+1.033982E-05
+4.258525E-03
+1.205064E-05
+2.115487E-03
+4.475286E-06
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
diff --git a/tests/regression_tests/lattice_corner_crossing/test.py b/tests/regression_tests/lattice_corner_crossing/test.py
new file mode 100644
index 000000000..4684d144e
--- /dev/null
+++ b/tests/regression_tests/lattice_corner_crossing/test.py
@@ -0,0 +1,83 @@
+"""
+This test is designed to ensure that we account for potential corner crossings
+in floating point precision.
+
+"""
+
+from math import pi, cos, sin
+
+import openmc
+import pytest
+
+from tests.testing_harness import PyAPITestHarness
+
+
+@pytest.fixture
+def model():
+    model = openmc.Model()
+
+    # Length of lattice on each side
+    lat_size = 20.0
+
+    # Angle that we're crossing the corner at
+    phi = pi/4.0
+
+    air = openmc.Material()
+    air.set_density('g/cm3', 0.001)
+    air.add_nuclide('N14', 1.0)
+    metal = openmc.Material()
+    metal.set_density('g/cm3', 7.0)
+    metal.add_nuclide('Fe56', 1.0)
+
+    metal_cell = openmc.Cell(fill=metal)
+    metal_uni = openmc.Universe(cells=[metal_cell])
+
+    air_cell = openmc.Cell(fill=air)
+    air_uni = openmc.Universe(cells=[air_cell])
+
+    # Define a checkerboard lattice
+    lattice = openmc.RectLattice()
+    lattice.lower_left = (-lat_size/2.0, -lat_size/2.0)
+    lattice.pitch = (lat_size/2, lat_size/2)
+    lattice.universes = [
+        [metal_uni, air_uni],
+        [air_uni, metal_uni]
+    ]
+
+    box = openmc.model.RectangularPrism(lat_size, lat_size)
+    cyl = openmc.ZCylinder(r=lat_size, boundary_type='vacuum')
+    outside_lattice = openmc.Cell(region=-cyl & +box, fill=air)
+    inside_lattice = openmc.Cell(region=-box, fill=lattice)
+
+    model.geometry = openmc.Geometry([outside_lattice, inside_lattice])
+
+    # Set all runtime parameters
+    model.settings.run_mode = 'fixed source'
+    model.settings.batches = 10
+    model.settings.particles = 1000
+
+    # Define a source located outside the lattice and pointing straight into its
+    # corner at 45 degrees
+    model.settings.source = openmc.IndependentSource(
+        space=openmc.stats.Point((-cos(phi), -sin(phi), 0.0)),
+        angle=openmc.stats.Monodirectional((cos(phi), sin(phi), 0.0))
+    )
+
+    # Create a mesh tally
+    mesh = openmc.RegularMesh()
+    mesh.dimension = (10, 10)
+    mesh.lower_left = (-lat_size, -lat_size)
+    mesh.upper_right = (lat_size, lat_size)
+    mesh_filter = openmc.MeshFilter(mesh)
+    tally = openmc.Tally(tally_id=1)
+    tally.filters = [mesh_filter]
+    tally.scores = ['flux']
+    tally.estimator = 'tracklength'
+    model.tallies = [tally]
+
+    return model
+
+
+def test_lattice_corner_crossing(model):
+    harness = PyAPITestHarness('statepoint.10.h5', model)
+    harness.main()

From c7d7fa4613146e97e22a5b616b4b70ca7640629d Mon Sep 17 00:00:00 2001
From: GuySten <62616591+GuySten@users.noreply.github.com>
Date: Tue, 6 Jan 2026 15:29:40 +0200
Subject: [PATCH 2471/2654] Fix a bug in rotational periodic boundary
 conditions (#3692)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 include/openmc/boundary_condition.h           |  2 +
 include/openmc/surface.h                      | 35 ++++++++-
 src/boundary_condition.cpp                    | 73 +++++++------------
 src/geometry_aux.cpp                          |  7 +-
 src/particle.cpp                              |  4 +-
 src/surface.cpp                               | 39 ++++++++--
 .../{ => False-False}/inputs_true.dat         |  0
 .../{ => False-False}/results_true.dat        |  0
 .../periodic_6fold/False-True/inputs_true.dat | 34 +++++++++
 .../False-True/results_true.dat               |  2 +
 .../periodic_6fold/True-False/inputs_true.dat | 34 +++++++++
 .../True-False/results_true.dat               |  2 +
 .../periodic_6fold/True-True/inputs_true.dat  | 34 +++++++++
 .../periodic_6fold/True-True/results_true.dat |  2 +
 tests/regression_tests/periodic_6fold/test.py | 55 ++++++++++----
 tests/unit_tests/test_periodic_bc.py          | 47 ++++++++++++
 16 files changed, 297 insertions(+), 73 deletions(-)
 rename tests/regression_tests/periodic_6fold/{ => False-False}/inputs_true.dat (100%)
 rename tests/regression_tests/periodic_6fold/{ => False-False}/results_true.dat (100%)
 create mode 100644 tests/regression_tests/periodic_6fold/False-True/inputs_true.dat
 create mode 100644 tests/regression_tests/periodic_6fold/False-True/results_true.dat
 create mode 100644 tests/regression_tests/periodic_6fold/True-False/inputs_true.dat
 create mode 100644 tests/regression_tests/periodic_6fold/True-False/results_true.dat
 create mode 100644 tests/regression_tests/periodic_6fold/True-True/inputs_true.dat
 create mode 100644 tests/regression_tests/periodic_6fold/True-True/results_true.dat
 create mode 100644 tests/unit_tests/test_periodic_bc.py

diff --git a/include/openmc/boundary_condition.h b/include/openmc/boundary_condition.h
index 5a14239e8..89bf7ca8b 100644
--- a/include/openmc/boundary_condition.h
+++ b/include/openmc/boundary_condition.h
@@ -152,6 +152,8 @@ public:
 protected:
   //! Angle about the axis by which particle coordinates will be rotated
   double angle_;
+  //! Do we need to flip surfaces senses when applying the transformation?
+  bool flip_sense_;
   //! Ensure that choice of axes is right handed. axis_1_idx_ corresponds to the
   //! independent axis and axis_2_idx_ corresponds to the dependent axis in the
   //! 2D plane  perpendicular to the planes' axis of rotation
diff --git a/include/openmc/surface.h b/include/openmc/surface.h
index 549e8f6ab..2d8580345 100644
--- a/include/openmc/surface.h
+++ b/include/openmc/surface.h
@@ -2,6 +2,7 @@
 #define OPENMC_SURFACE_H
 
 #include <limits> // For numeric_limits
+#include <set>
 #include <string>
 #include <unordered_map>
 
@@ -378,7 +379,39 @@ public:
 // Non-member functions
 //==============================================================================
 
-void read_surfaces(pugi::xml_node node);
+//! Read surface definitions from XML and populate the global surfaces vector.
+//!
+//! This function parses surface elements from the XML input, creates the
+//! appropriate surface objects, and identifies periodic surfaces along with
+//! their albedo values and sense information.
+//!
+//! \param node XML node containing surface definitions
+//! \param[out] periodic_pairs Set of surface ID pairs representing periodic
+//!   boundary conditions
+//! \param[out] albedo_map Map of surface IDs to albedo values for periodic
+//!   surfaces
+//! \param[out] periodic_sense_map Map of surface IDs to their sense values
+//!   (used to determine orientation for periodic BCs)
+void read_surfaces(pugi::xml_node node,
+  std::set<std::pair<int, int>>& periodic_pairs,
+  std::unordered_map<int, double>& albedo_map,
+  std::unordered_map<int, int>& periodic_sense_map);
+
+//! Resolve periodic surface pairs and assign boundary conditions.
+//!
+//! This function completes the setup of periodic boundary conditions by
+//! resolving unpaired periodic surfaces, determining whether each pair
+//! represents translational or rotational periodicity based on surface
+//! normals, and assigning the appropriate boundary condition objects.
+//!
+//! \param[inout] periodic_pairs Set of surface ID pairs representing periodic
+//!   boundary conditions; unpaired entries are resolved
+//! \param albedo_map Map of surface IDs to albedo values for periodic surfaces
+//! \param periodic_sense_map Map of surface IDs to their sense values (used to
+//!   determine orientation for periodic BCs)
+void prepare_boundary_conditions(std::set<std::pair<int, int>>& periodic_pairs,
+  std::unordered_map<int, double>& albedo_map,
+  std::unordered_map<int, int>& periodic_sense_map);
 
 void free_memory_surfaces();
 
diff --git a/src/boundary_condition.cpp b/src/boundary_condition.cpp
index 2840b3c7d..eb095d8c5 100644
--- a/src/boundary_condition.cpp
+++ b/src/boundary_condition.cpp
@@ -160,7 +160,7 @@ void TranslationalPeriodicBC::handle_particle(
 
 RotationalPeriodicBC::RotationalPeriodicBC(
   int i_surf, int j_surf, PeriodicAxis axis)
-  : PeriodicBC(i_surf, j_surf)
+  : PeriodicBC(std::abs(i_surf) - 1, std::abs(j_surf) - 1)
 {
   Surface& surf1 {*model::surfaces[i_surf_]};
   Surface& surf2 {*model::surfaces[j_surf_]};
@@ -173,14 +173,9 @@ RotationalPeriodicBC::RotationalPeriodicBC(
     axis_2_idx_ = 2;    // z component dependent
     break;
   case y:
-    // for a right handed coordinate system, z should be the independent axis
-    // but this would cause the y-rotation case to be different than the other
-    // two. using a left handed coordinate system and a negative rotation the
-    // compute angle and rotation matrix behavior mimics that of the x and z
-    // cases
     zero_axis_idx_ = 1; // y component of plane must be zero
-    axis_1_idx_ = 0;    // x component independent
-    axis_2_idx_ = 2;    // z component dependent
+    axis_1_idx_ = 2;    // z component independent
+    axis_2_idx_ = 0;    // x component dependent
     break;
   case z:
     zero_axis_idx_ = 2; // z component of plane must be zero
@@ -192,10 +187,16 @@ RotationalPeriodicBC::RotationalPeriodicBC(
       fmt::format("You've specified an axis that is not x, y, or z."));
   }
 
+  Direction ax = {0.0, 0.0, 0.0};
+  ax[zero_axis_idx_] = 1.0;
+
+  auto i_sign = std::copysign(1, i_surf);
+  auto j_sign = -std::copysign(1, j_surf);
+
   // Compute the surface normal vectors and make sure they are perpendicular
   // to the correct axis
-  Direction norm1 = surf1.normal({0, 0, 0});
-  Direction norm2 = surf2.normal({0, 0, 0});
+  Direction norm1 = i_sign * surf1.normal({0, 0, 0});
+  Direction norm2 = j_sign * surf2.normal({0, 0, 0});
   // Make sure both surfaces intersect the origin
   if (std::abs(surf1.evaluate({0, 0, 0})) > FP_COINCIDENT) {
     throw std::invalid_argument(fmt::format(
@@ -212,8 +213,15 @@ RotationalPeriodicBC::RotationalPeriodicBC(
       surf2.id_));
   }
 
-  angle_ = compute_periodic_rotation(norm1[axis_2_idx_], norm1[axis_1_idx_],
-    norm2[axis_2_idx_], norm2[axis_1_idx_]);
+  // Compute the signed rotation angle about the periodic axis. Note that
+  // (n1×n2)·a = |n1||n2|sin(θ) and n1·n2 = |n1||n2|cos(θ), where a is the axis
+  // of rotation.
+  auto c = norm1.cross(norm2);
+  angle_ = std::atan2(c.dot(ax), norm1.dot(norm2));
+
+  // If the normals point in the same general direction, the surface sense
+  // should change when crossing the boundary
+  flip_sense_ = (i_sign * j_sign > 0.0);
 
   // Warn the user if the angle does not evenly divide a circle
   double rem = std::abs(std::remainder((2 * PI / angle_), 1.0));
@@ -225,47 +233,18 @@ RotationalPeriodicBC::RotationalPeriodicBC(
   }
 }
 
-double RotationalPeriodicBC::compute_periodic_rotation(
-  double rise_1, double run_1, double rise_2, double run_2) const
-{
-  // Compute the BC rotation angle.  Here it is assumed that both surface
-  // normal vectors point inwards---towards the valid geometry region.
-  // Consequently, the rotation angle is not the difference between the two
-  // normals, but is instead the difference between one normal and one
-  // anti-normal.  (An incident ray on one surface must be an outgoing ray on
-  // the other surface after rotation hence the anti-normal.)
-  double theta1 = std::atan2(rise_1, run_1);
-  double theta2 = std::atan2(rise_2, run_2) + PI;
-  return theta2 - theta1;
-}
-
 void RotationalPeriodicBC::handle_particle(
   Particle& p, const Surface& surf) const
 {
-  int i_particle_surf = p.surface_index();
+  int new_surface = p.surface() > 0 ? -(j_surf_ + 1) : j_surf_ + 1;
+  if (flip_sense_)
+    new_surface = -new_surface;
 
-  // Figure out which of the two BC surfaces were struck to figure out if a
-  // forward or backward rotation is required.  Specify the other surface as
-  // the particle's new surface.
-  double theta;
-  int new_surface;
-  if (i_particle_surf == i_surf_) {
-    theta = angle_;
-    new_surface = p.surface() > 0 ? -(j_surf_ + 1) : j_surf_ + 1;
-  } else if (i_particle_surf == j_surf_) {
-    theta = -angle_;
-    new_surface = p.surface() > 0 ? -(i_surf_ + 1) : i_surf_ + 1;
-  } else {
-    throw std::runtime_error(
-      "Called BoundaryCondition::handle_particle after "
-      "hitting a surface, but that surface is not recognized by the BC.");
-  }
-
-  // Rotate the particle's position and direction about the z-axis.
+  // Rotate the particle's position and direction.
   Position r = p.r();
   Direction u = p.u();
-  double cos_theta = std::cos(theta);
-  double sin_theta = std::sin(theta);
+  double cos_theta = std::cos(angle_);
+  double sin_theta = std::sin(angle_);
 
   Position new_r;
   new_r[zero_axis_idx_] = r[zero_axis_idx_];
diff --git a/src/geometry_aux.cpp b/src/geometry_aux.cpp
index 8a145fb1f..a740740c1 100644
--- a/src/geometry_aux.cpp
+++ b/src/geometry_aux.cpp
@@ -55,8 +55,13 @@ void read_geometry_xml()
 void read_geometry_xml(pugi::xml_node root)
 {
   // Read surfaces, cells, lattice
-  read_surfaces(root);
+  std::set<std::pair<int, int>> periodic_pairs;
+  std::unordered_map<int, double> albedo_map;
+  std::unordered_map<int, int> periodic_sense_map;
+
+  read_surfaces(root, periodic_pairs, albedo_map, periodic_sense_map);
   read_cells(root);
+  prepare_boundary_conditions(periodic_pairs, albedo_map, periodic_sense_map);
   read_lattices(root);
 
   // Check to make sure a boundary condition was applied to at least one
diff --git a/src/particle.cpp b/src/particle.cpp
index 2d70d715e..b9f9c8f86 100644
--- a/src/particle.cpp
+++ b/src/particle.cpp
@@ -744,9 +744,7 @@ void Particle::cross_periodic_bc(
   if (!neighbor_list_find_cell(*this)) {
     mark_as_lost("Couldn't find particle after hitting periodic "
                  "boundary on surface " +
-                 std::to_string(surf.id_) +
-                 ". The normal vector "
-                 "of one periodic surface may need to be reversed.");
+                 std::to_string(surf.id_) + ".");
     return;
   }
 
diff --git a/src/surface.cpp b/src/surface.cpp
index bc9c7f4a9..9ac1c41b4 100644
--- a/src/surface.cpp
+++ b/src/surface.cpp
@@ -9,6 +9,7 @@
 #include <fmt/core.h>
 
 #include "openmc/array.h"
+#include "openmc/cell.h"
 #include "openmc/container_util.h"
 #include "openmc/error.h"
 #include "openmc/external/quartic_solver.h"
@@ -1169,7 +1170,10 @@ Direction SurfaceZTorus::normal(Position r) const
 
 //==============================================================================
 
-void read_surfaces(pugi::xml_node node)
+void read_surfaces(pugi::xml_node node,
+  std::set<std::pair<int, int>>& periodic_pairs,
+  std::unordered_map<int, double>& albedo_map,
+  std::unordered_map<int, int>& periodic_sense_map)
 {
   // Count the number of surfaces
   int n_surfaces = 0;
@@ -1180,8 +1184,6 @@ void read_surfaces(pugi::xml_node node)
   // Loop over XML surface elements and populate the array.  Keep track of
   // periodic surfaces and their albedos.
   model::surfaces.reserve(n_surfaces);
-  std::set<std::pair<int, int>> periodic_pairs;
-  std::unordered_map<int, double> albedo_map;
   {
     pugi::xml_node surf_node;
     int i_surf;
@@ -1244,6 +1246,7 @@ void read_surfaces(pugi::xml_node node)
       if (check_for_node(surf_node, "boundary")) {
         std::string surf_bc = get_node_value(surf_node, "boundary", true, true);
         if (surf_bc == "periodic") {
+          periodic_sense_map[model::surfaces.back()->id_] = 0;
           // Check for surface albedo. Skip sanity check as it is already done
           // in the Surface class's constructor.
           if (check_for_node(surf_node, "albedo")) {
@@ -1275,6 +1278,28 @@ void read_surfaces(pugi::xml_node node)
         fmt::format("Two or more surfaces use the same unique ID: {}", id));
     }
   }
+}
+
+void prepare_boundary_conditions(std::set<std::pair<int, int>>& periodic_pairs,
+  std::unordered_map<int, double>& albedo_map,
+  std::unordered_map<int, int>& periodic_sense_map)
+{
+  // Fill the senses map for periodic surfaces
+  auto n_periodic = periodic_sense_map.size();
+  for (const auto& cell : model::cells) {
+    if (n_periodic == 0)
+      break; // Early exit once all periodic surfaces found
+
+    for (auto s : cell->surfaces()) {
+      auto surf_idx = std::abs(s) - 1;
+      auto id = model::surfaces[surf_idx]->id_;
+
+      if (periodic_sense_map.count(id)) {
+        periodic_sense_map[id] = std::copysign(1, s);
+        --n_periodic;
+      }
+    }
+  }
 
   // Resolve unpaired periodic surfaces.  A lambda function is used with
   // std::find_if to identify the unpaired surfaces.
@@ -1370,8 +1395,12 @@ void read_surfaces(pugi::xml_node node)
           "indicates that the two planes are not periodic about the X, Y, or Z "
           "axis, which is not supported."));
       }
-      surf1.bc_ = make_unique<RotationalPeriodicBC>(i_surf, j_surf, axis);
-      surf2.bc_ = make_unique<RotationalPeriodicBC>(i_surf, j_surf, axis);
+      auto i_sign = periodic_sense_map[periodic_pair.first];
+      auto j_sign = periodic_sense_map[periodic_pair.second];
+      surf1.bc_ = make_unique<RotationalPeriodicBC>(
+        i_sign * (i_surf + 1), j_sign * (j_surf + 1), axis);
+      surf2.bc_ = make_unique<RotationalPeriodicBC>(
+        j_sign * (j_surf + 1), i_sign * (i_surf + 1), axis);
     }
 
     // If albedo data is present in albedo map, set the boundary albedo.
diff --git a/tests/regression_tests/periodic_6fold/inputs_true.dat b/tests/regression_tests/periodic_6fold/False-False/inputs_true.dat
similarity index 100%
rename from tests/regression_tests/periodic_6fold/inputs_true.dat
rename to tests/regression_tests/periodic_6fold/False-False/inputs_true.dat
diff --git a/tests/regression_tests/periodic_6fold/results_true.dat b/tests/regression_tests/periodic_6fold/False-False/results_true.dat
similarity index 100%
rename from tests/regression_tests/periodic_6fold/results_true.dat
rename to tests/regression_tests/periodic_6fold/False-False/results_true.dat
diff --git a/tests/regression_tests/periodic_6fold/False-True/inputs_true.dat b/tests/regression_tests/periodic_6fold/False-True/inputs_true.dat
new file mode 100644
index 000000000..cbc1e9100
--- /dev/null
+++ b/tests/regression_tests/periodic_6fold/False-True/inputs_true.dat
@@ -0,0 +1,34 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material id="5">
+      <density value="1.0" units="g/cc"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
+      <sab name="c_H_in_H2O"/>
+    </material>
+    <material id="6" depletable="true">
+      <density value="4.5" units="g/cc"/>
+      <nuclide name="U235" ao="1.0"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="5" region="9 -10 -11 12" universe="0"/>
+    <cell id="2" material="6" region="9 -10 -12" universe="0"/>
+    <surface id="9" type="plane" boundary="periodic" coeffs="0.4999999999999999 0.8660254037844387 0.0 0.0"/>
+    <surface id="10" type="plane" boundary="periodic" coeffs="-0.4999999999999999 0.8660254037844387 0.0 0.0"/>
+    <surface id="11" type="x-plane" boundary="reflective" coeffs="5.0"/>
+    <surface id="12" type="z-cylinder" coeffs="2.598076211353316 1.4999999999999998 2.0"/>
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>1000</particles>
+    <batches>4</batches>
+    <inactive>0</inactive>
+    <source type="independent" strength="1.0" particle="neutron">
+      <space type="box">
+        <parameters>0 0 0 5 5 0</parameters>
+      </space>
+    </source>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/periodic_6fold/False-True/results_true.dat b/tests/regression_tests/periodic_6fold/False-True/results_true.dat
new file mode 100644
index 000000000..04aa30878
--- /dev/null
+++ b/tests/regression_tests/periodic_6fold/False-True/results_true.dat
@@ -0,0 +1,2 @@
+k-combined:
+1.848492E+00 2.933785E-03
diff --git a/tests/regression_tests/periodic_6fold/True-False/inputs_true.dat b/tests/regression_tests/periodic_6fold/True-False/inputs_true.dat
new file mode 100644
index 000000000..675a8b300
--- /dev/null
+++ b/tests/regression_tests/periodic_6fold/True-False/inputs_true.dat
@@ -0,0 +1,34 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material id="3">
+      <density value="1.0" units="g/cc"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
+      <sab name="c_H_in_H2O"/>
+    </material>
+    <material id="4" depletable="true">
+      <density value="4.5" units="g/cc"/>
+      <nuclide name="U235" ao="1.0"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="3" region="-5 6 -7 8" universe="0"/>
+    <cell id="2" material="4" region="-5 6 -8" universe="0"/>
+    <surface id="5" type="plane" boundary="periodic" coeffs="-0.4999999999999999 -0.8660254037844387 0.0 0.0"/>
+    <surface id="6" type="plane" boundary="periodic" coeffs="0.4999999999999999 -0.8660254037844387 0.0 0.0"/>
+    <surface id="7" type="x-plane" boundary="reflective" coeffs="5.0"/>
+    <surface id="8" type="z-cylinder" coeffs="2.598076211353316 1.4999999999999998 2.0"/>
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>1000</particles>
+    <batches>4</batches>
+    <inactive>0</inactive>
+    <source type="independent" strength="1.0" particle="neutron">
+      <space type="box">
+        <parameters>0 0 0 5 5 0</parameters>
+      </space>
+    </source>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/periodic_6fold/True-False/results_true.dat b/tests/regression_tests/periodic_6fold/True-False/results_true.dat
new file mode 100644
index 000000000..04aa30878
--- /dev/null
+++ b/tests/regression_tests/periodic_6fold/True-False/results_true.dat
@@ -0,0 +1,2 @@
+k-combined:
+1.848492E+00 2.933785E-03
diff --git a/tests/regression_tests/periodic_6fold/True-True/inputs_true.dat b/tests/regression_tests/periodic_6fold/True-True/inputs_true.dat
new file mode 100644
index 000000000..e5ac03b48
--- /dev/null
+++ b/tests/regression_tests/periodic_6fold/True-True/inputs_true.dat
@@ -0,0 +1,34 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material id="7">
+      <density value="1.0" units="g/cc"/>
+      <nuclide name="H1" ao="2.0"/>
+      <nuclide name="O16" ao="1.0"/>
+      <sab name="c_H_in_H2O"/>
+    </material>
+    <material id="8" depletable="true">
+      <density value="4.5" units="g/cc"/>
+      <nuclide name="U235" ao="1.0"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="7" region="-13 -14 -15 16" universe="0"/>
+    <cell id="2" material="8" region="-13 -14 -16" universe="0"/>
+    <surface id="13" type="plane" boundary="periodic" coeffs="-0.4999999999999999 -0.8660254037844387 0.0 0.0"/>
+    <surface id="14" type="plane" boundary="periodic" coeffs="-0.4999999999999999 0.8660254037844387 0.0 0.0"/>
+    <surface id="15" type="x-plane" boundary="reflective" coeffs="5.0"/>
+    <surface id="16" type="z-cylinder" coeffs="2.598076211353316 1.4999999999999998 2.0"/>
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>1000</particles>
+    <batches>4</batches>
+    <inactive>0</inactive>
+    <source type="independent" strength="1.0" particle="neutron">
+      <space type="box">
+        <parameters>0 0 0 5 5 0</parameters>
+      </space>
+    </source>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/periodic_6fold/True-True/results_true.dat b/tests/regression_tests/periodic_6fold/True-True/results_true.dat
new file mode 100644
index 000000000..04aa30878
--- /dev/null
+++ b/tests/regression_tests/periodic_6fold/True-True/results_true.dat
@@ -0,0 +1,2 @@
+k-combined:
+1.848492E+00 2.933785E-03
diff --git a/tests/regression_tests/periodic_6fold/test.py b/tests/regression_tests/periodic_6fold/test.py
index 272c65df5..bded1c465 100644
--- a/tests/regression_tests/periodic_6fold/test.py
+++ b/tests/regression_tests/periodic_6fold/test.py
@@ -1,14 +1,16 @@
 from math import sin, cos, pi
 
 import openmc
+from openmc.utility_funcs import change_directory
 import pytest
 
 from tests.testing_harness import PyAPITestHarness
 
 
-@pytest.fixture
-def model():
-    model = openmc.model.Model()
+@pytest.mark.parametrize("flip1", [False, True])
+@pytest.mark.parametrize("flip2", [False, True])
+def test_periodic(flip1, flip2):
+    model = openmc.Model()
 
     # Define materials
     water = openmc.Material()
@@ -27,31 +29,52 @@ def model():
     # answers.
     theta1 = (-1/6 + 1/2) * pi
     theta2 = (1/6 - 1/2) * pi
-    plane1 = openmc.Plane(a=cos(theta1), b=sin(theta1), boundary_type='periodic')
-    plane2 = openmc.Plane(a=cos(theta2), b=sin(theta2), boundary_type='periodic')
+    if flip1:
+        plane1 = openmc.Plane(a=-cos(theta1), b=-sin(theta1), boundary_type='periodic')
+    else:
+        plane1 = openmc.Plane(a=cos(theta1), b=sin(theta1), boundary_type='periodic')
+    if flip2:
+        plane2 = openmc.Plane(a=-cos(theta2), b=-sin(theta2), boundary_type='periodic')
+    else:
+        plane2 = openmc.Plane(a=cos(theta2), b=sin(theta2), boundary_type='periodic')
 
     x_max = openmc.XPlane(5., boundary_type='reflective')
 
     z_cyl = openmc.ZCylinder(x0=3*cos(pi/6), y0=3*sin(pi/6), r=2.0)
 
-    outside_cyl = openmc.Cell(1, fill=water, region=(
-        +plane1 & +plane2 & -x_max & +z_cyl))
-    inside_cyl = openmc.Cell(2, fill=fuel, region=(
-        +plane1 & +plane2 & -z_cyl))
+    match (flip1, flip2):
+        case (False, False):
+            outside_cyl = openmc.Cell(1, fill=water, region=(
+                          +plane1 & +plane2 & -x_max & +z_cyl))
+            inside_cyl = openmc.Cell(2, fill=fuel, region=(
+                          +plane1 & +plane2 & -z_cyl))
+        case (False, True):
+            outside_cyl = openmc.Cell(1, fill=water, region=(
+                          +plane1 & -plane2 & -x_max & +z_cyl))
+            inside_cyl = openmc.Cell(2, fill=fuel, region=(
+                          +plane1 & -plane2 & -z_cyl))
+        case (True, False):
+            outside_cyl = openmc.Cell(1, fill=water, region=(
+                          -plane1 & +plane2 & -x_max & +z_cyl))
+            inside_cyl = openmc.Cell(2, fill=fuel, region=(
+                          -plane1 & +plane2 & -z_cyl))
+        case (True, True):
+            outside_cyl = openmc.Cell(1, fill=water, region=(
+                          -plane1 & -plane2 & -x_max & +z_cyl))
+            inside_cyl = openmc.Cell(2, fill=fuel, region=(
+                          -plane1 & -plane2 & -z_cyl))
     root_universe = openmc.Universe(0, cells=(outside_cyl, inside_cyl))
     model.geometry = openmc.Geometry(root_universe)
 
     # Define settings
-    model.settings = openmc.Settings()
     model.settings.particles = 1000
     model.settings.batches = 4
     model.settings.inactive = 0
-    model.settings.source = openmc.IndependentSource(space=openmc.stats.Box(
-        (0, 0, 0), (5, 5, 0))
+    model.settings.source = openmc.IndependentSource(
+        space=openmc.stats.Box((0, 0, 0), (5, 5, 0))
     )
-    return model
 
+    with change_directory(f'{flip1}-{flip2}'):
+        harness = PyAPITestHarness('statepoint.4.h5', model)
+        harness.main()
 
-def test_periodic(model):
-    harness = PyAPITestHarness('statepoint.4.h5', model)
-    harness.main()
diff --git a/tests/unit_tests/test_periodic_bc.py b/tests/unit_tests/test_periodic_bc.py
new file mode 100644
index 000000000..4cc126abc
--- /dev/null
+++ b/tests/unit_tests/test_periodic_bc.py
@@ -0,0 +1,47 @@
+from math import cos, sin, radians
+import random
+
+import openmc
+import pytest
+
+
+@pytest.mark.parametrize("angle", [30., 45., 60., 90., 120.])
+def test_rotational_periodic_bc(angle):
+    # Pick random starting angle
+    start = random.uniform(0., 360.)
+    degrees = angle
+    ang1 = radians(start)
+    ang2 = radians(start + degrees)
+
+    # Define three points on each plane and then randomly shuffle them
+    p1_points = [(0., 0., 0.), (cos(ang1), sin(ang1), 0.), (0., 0., 1.)]
+    p2_points = [(0., 0., 0.), (cos(ang2), sin(ang2), 0.), (0., 0., 1.)]
+    random.shuffle(p1_points)
+    random.shuffle(p2_points)
+
+    # Create periodic planes and a cylinder
+    p1 = openmc.Plane.from_points(*p1_points, boundary_type='periodic')
+    p2 = openmc.Plane.from_points(*p2_points, boundary_type='periodic')
+    p1.periodic_surface = p2
+    zcyl = openmc.ZCylinder(r=5., boundary_type='vacuum')
+
+    # Figure out which side of planes to use based on a point in the middle
+    ang_mid = radians(start + degrees/2.)
+    mid_point = (cos(ang_mid), sin(ang_mid), 0.)
+    r1 = -p1 if mid_point in -p1 else +p1
+    r2 = -p2 if mid_point in -p2 else +p2
+
+    # Create one cell bounded by the two planes and the cylinder
+    mat = openmc.Material(density=1.0, density_units='g/cm3', components={'U235': 1.0})
+    cell = openmc.Cell(fill=mat, region=r1 & r2 & -zcyl)
+
+    # Make the model complete
+    model = openmc.Model()
+    model.geometry = openmc.Geometry([cell])
+    model.settings.source = openmc.IndependentSource(space=openmc.stats.Point(mid_point))
+    model.settings.particles = 1000
+    model.settings.batches = 10
+    model.settings.inactive = 5
+
+    # Run the model
+    model.run()

From 10f2b7534c44104324b2baeabc89330fc39bd9fb Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Tue, 6 Jan 2026 21:18:23 +0100
Subject: [PATCH 2472/2654] Fixing group names in MGXS HDF5 file (#3708)

---
 openmc/mgxs/mgxs.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/openmc/mgxs/mgxs.py b/openmc/mgxs/mgxs.py
index f621db092..12b8f6a75 100644
--- a/openmc/mgxs/mgxs.py
+++ b/openmc/mgxs/mgxs.py
@@ -1923,7 +1923,7 @@ class MGXS:
 
             # Create an HDF5 group for the subdomain
             if self.domain_type == 'distribcell':
-                group_name = ''.zfill(num_digits)
+                group_name = str(subdomain).zfill(num_digits)
                 subdomain_group = domain_group.require_group(group_name)
             else:
                 subdomain_group = domain_group

From 7dceb1d80a1412cdf9c7a893b48ef16af379ead5 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Tue, 6 Jan 2026 23:59:38 +0100
Subject: [PATCH 2473/2654] closing mgxs h5py file with context manager (#3707)

Co-authored-by: GuySten <62616591+GuySten@users.noreply.github.com>
---
 openmc/mgxs_library.py | 24 ++++++++++++------------
 1 file changed, 12 insertions(+), 12 deletions(-)

diff --git a/openmc/mgxs_library.py b/openmc/mgxs_library.py
index 4bc2d4a5a..414bf7cbd 100644
--- a/openmc/mgxs_library.py
+++ b/openmc/mgxs_library.py
@@ -2554,20 +2554,20 @@ class MGXSLibrary:
                              "must be set")
 
         check_type('filename', filename, (str, PathLike))
-        file = h5py.File(filename, 'r')
+        with h5py.File(filename, 'r') as file:
 
-        # Check filetype and version
-        check_filetype_version(file, _FILETYPE_MGXS_LIBRARY,
-                               _VERSION_MGXS_LIBRARY)
+            # Check filetype and version
+            check_filetype_version(file, _FILETYPE_MGXS_LIBRARY,
+                                   _VERSION_MGXS_LIBRARY)
 
-        group_structure = file.attrs['group structure']
-        num_delayed_groups = file.attrs['delayed_groups']
-        energy_groups = openmc.mgxs.EnergyGroups(group_structure)
-        data = cls(energy_groups, num_delayed_groups)
+            group_structure = file.attrs['group structure']
+            num_delayed_groups = file.attrs['delayed_groups']
+            energy_groups = openmc.mgxs.EnergyGroups(group_structure)
+            data = cls(energy_groups, num_delayed_groups)
 
-        for group_name, group in file.items():
-            data.add_xsdata(openmc.XSdata.from_hdf5(group, group_name,
-                                                    energy_groups,
-                                                    num_delayed_groups))
+            for group_name, group in file.items():
+                data.add_xsdata(openmc.XSdata.from_hdf5(group, group_name,
+                                                        energy_groups,
+                                                        num_delayed_groups))
 
         return data

From 830f075b5c2d5af125f5a947ed98951a9530d0a4 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 6 Jan 2026 16:59:58 -0600
Subject: [PATCH 2474/2654] Update documentation describing HexLattice
 orientation (#3709)

---
 docs/source/io_formats/geometry.rst |  7 ++++---
 docs/source/usersguide/geometry.rst | 10 +++++-----
 openmc/lattice.py                   |  7 +++++--
 3 files changed, 14 insertions(+), 10 deletions(-)

diff --git a/docs/source/io_formats/geometry.rst b/docs/source/io_formats/geometry.rst
index dda1efa9a..cef3bb79c 100644
--- a/docs/source/io_formats/geometry.rst
+++ b/docs/source/io_formats/geometry.rst
@@ -316,9 +316,10 @@ the following attributes or sub-elements:
     *Default*: None
 
   :orientation:
-    The orientation of the hexagonal lattice. The string "x" indicates that two
-    sides of the lattice are parallel to the x-axis, whereas the string "y"
-    indicates that two sides are parallel to the y-axis.
+    The orientation of the hexagonal lattice. The string "x" indicates that each
+    lattice element has two faces that are perpendicular to the x-axis, whereas
+    the string "y" indicates that each lattice element has two faces that are
+    perpendicular to the y-axis.
 
     *Default*: "y"
 
diff --git a/docs/source/usersguide/geometry.rst b/docs/source/usersguide/geometry.rst
index f51fbd73c..3224d5fff 100644
--- a/docs/source/usersguide/geometry.rst
+++ b/docs/source/usersguide/geometry.rst
@@ -415,11 +415,11 @@ to help figure out how to place universes::
 
 
 Note that by default, hexagonal lattices are positioned such that each lattice
-element has two faces that are parallel to the :math:`y` axis. As one example,
-to create a three-ring lattice centered at the origin with a pitch of 10 cm
-where all the lattice elements centered along the :math:`y` axis are filled with
-universe ``u`` and the remainder are filled with universe ``q``, the following
-code would work::
+element has two faces that are perpendicular to the :math:`y` axis. As one
+example, to create a three-ring lattice centered at the origin with a pitch of
+10 cm where all the lattice elements centered along the :math:`y` axis are
+filled with universe ``u`` and the remainder are filled with universe ``q``, the
+following code would work::
 
   hexlat = openmc.HexLattice()
   hexlat.center = (0, 0)
diff --git a/openmc/lattice.py b/openmc/lattice.py
index f0e8b40b0..21849ec40 100644
--- a/openmc/lattice.py
+++ b/openmc/lattice.py
@@ -1083,8 +1083,11 @@ class HexLattice(Lattice):
         from the outermost ring), and i is the index with a ring starting from
         the top and proceeding clockwise.
     orientation : {'x', 'y'}
-        str by default 'y' orientation of main lattice diagonal another option
-        - 'x'
+        The orientation of the lattice. The 'x' orientation means that each
+        lattice element has two faces that are perpendicular to the x-axis,
+        while the 'y' orientation means that each lattice element has two faces
+        that are perpendicular to the y-axis. By default, the orientation is
+        'y'.
     num_rings : int
         Number of radial ring positions in the xy-plane
     num_axial : int

From dfc80c70694c238ee64206106843879042e12d6a Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Wed, 7 Jan 2026 11:54:57 +0100
Subject: [PATCH 2475/2654] fixing temperatures setting for mgxs (#3712)

---
 openmc/mgxs_library.py | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/openmc/mgxs_library.py b/openmc/mgxs_library.py
index 414bf7cbd..c1a15998e 100644
--- a/openmc/mgxs_library.py
+++ b/openmc/mgxs_library.py
@@ -484,7 +484,8 @@ class XSdata:
 
         check_type('temperature', temperature, Real)
 
-        temp_store = self.temperatures.tolist().append(temperature)
+        temp_store = self.temperatures.tolist()
+        temp_store.append(temperature)
         self.temperatures = temp_store
 
         self._total.append(None)

From 551bf0730bacdb5e00ffa5f55e4e2329c448ecf0 Mon Sep 17 00:00:00 2001
From: GuySten <62616591+GuySten@users.noreply.github.com>
Date: Fri, 9 Jan 2026 15:56:40 +0200
Subject: [PATCH 2476/2654] Simplify translational periodic boundary conditions
 (#3697)

---
 src/boundary_condition.cpp | 19 ++-----------------
 src/surface.cpp            |  2 +-
 2 files changed, 3 insertions(+), 18 deletions(-)

diff --git a/src/boundary_condition.cpp b/src/boundary_condition.cpp
index eb095d8c5..5bbda4830 100644
--- a/src/boundary_condition.cpp
+++ b/src/boundary_condition.cpp
@@ -129,23 +129,8 @@ TranslationalPeriodicBC::TranslationalPeriodicBC(int i_surf, int j_surf)
 void TranslationalPeriodicBC::handle_particle(
   Particle& p, const Surface& surf) const
 {
-  int i_particle_surf = p.surface_index();
-
-  // Figure out which of the two BC surfaces were struck then find the
-  // particle's new location and surface.
-  Position new_r;
-  int new_surface;
-  if (i_particle_surf == i_surf_) {
-    new_r = p.r() + translation_;
-    new_surface = p.surface() > 0 ? j_surf_ + 1 : -(j_surf_ + 1);
-  } else if (i_particle_surf == j_surf_) {
-    new_r = p.r() - translation_;
-    new_surface = p.surface() > 0 ? i_surf_ + 1 : -(i_surf_ + 1);
-  } else {
-    throw std::runtime_error(
-      "Called BoundaryCondition::handle_particle after "
-      "hitting a surface, but that surface is not recognized by the BC.");
-  }
+  auto new_r = p.r() + translation_;
+  int new_surface = p.surface() > 0 ? j_surf_ + 1 : -(j_surf_ + 1);
 
   // Handle the effects of the surface albedo on the particle's weight.
   BoundaryCondition::handle_albedo(p, surf);
diff --git a/src/surface.cpp b/src/surface.cpp
index 9ac1c41b4..81b756dea 100644
--- a/src/surface.cpp
+++ b/src/surface.cpp
@@ -1357,7 +1357,7 @@ void prepare_boundary_conditions(std::set<std::pair<int, int>>& periodic_pairs,
     // condition.  Otherwise, it is a rotational periodic BC.
     if (std::abs(1.0 - dot_prod) < FP_PRECISION) {
       surf1.bc_ = make_unique<TranslationalPeriodicBC>(i_surf, j_surf);
-      surf2.bc_ = make_unique<TranslationalPeriodicBC>(i_surf, j_surf);
+      surf2.bc_ = make_unique<TranslationalPeriodicBC>(j_surf, i_surf);
     } else {
       // check that both normals have at least one 0 component
       if (std::abs(norm1.x) > FP_PRECISION &&

From 8c8867ea1c1ae0ffe387f657726557898ff688f5 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 9 Jan 2026 14:05:51 -0600
Subject: [PATCH 2477/2654] Add --merge-mode-functions=separate to gcovr call
 in CI (#3716)

---
 .github/workflows/ci.yml | 1 +
 1 file changed, 1 insertion(+)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index 8a9c7322e..6fc130947 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -186,6 +186,7 @@ jobs:
             --gcov-ignore-errors source_not_found \
             --gcov-ignore-errors output_error \
             --gcov-ignore-parse-errors suspicious_hits.warn \
+            --merge-mode-functions=separate \
             --print-summary \
             --lcov -o coverage-cpp.lcov || true
 

From 37e2feb34b5d8665d28abdc64ec18e8a2b007734 Mon Sep 17 00:00:00 2001
From: Perry <100789850+yrrepy@users.noreply.github.com>
Date: Sat, 10 Jan 2026 12:04:47 -0800
Subject: [PATCH 2478/2654] Flux Energy Group Conversion using
 lethargy-weighted redistribution (#3705)

Co-authored-by: GuySten <62616591+GuySten@users.noreply.github.com>
---
 docs/source/pythonapi/mgxs.rst             |  10 ++
 openmc/mgxs/__init__.py                    |   2 +-
 openmc/mgxs/groups.py                      | 136 +++++++++++++++++++++
 tests/fns_flux_709.npy                     | Bin 0 -> 5800 bytes
 tests/unit_tests/test_mgxs_convert_flux.py |  62 ++++++++++
 5 files changed, 209 insertions(+), 1 deletion(-)
 create mode 100644 tests/fns_flux_709.npy
 create mode 100644 tests/unit_tests/test_mgxs_convert_flux.py

diff --git a/docs/source/pythonapi/mgxs.rst b/docs/source/pythonapi/mgxs.rst
index 392914b36..4141aa0a0 100644
--- a/docs/source/pythonapi/mgxs.rst
+++ b/docs/source/pythonapi/mgxs.rst
@@ -11,6 +11,16 @@ Module Variables
 .. autodata:: openmc.mgxs.GROUP_STRUCTURES
     :annotation:
 
+Functions 
++++++++++
+
+.. autosummary::
+    :toctree: generated
+    :nosignatures:
+    :template: myfunction.rst
+
+    openmc.mgxs.convert_flux_groups
+
 Classes
 +++++++
 
diff --git a/openmc/mgxs/__init__.py b/openmc/mgxs/__init__.py
index 682b5d550..5adbac9c4 100644
--- a/openmc/mgxs/__init__.py
+++ b/openmc/mgxs/__init__.py
@@ -1,6 +1,6 @@
 import numpy as np
 
-from openmc.mgxs.groups import EnergyGroups
+from openmc.mgxs.groups import EnergyGroups, convert_flux_groups
 from openmc.mgxs.library import Library
 from openmc.mgxs.mgxs import *
 from openmc.mgxs.mdgxs import *
diff --git a/openmc/mgxs/groups.py b/openmc/mgxs/groups.py
index 182402ed7..8910c7d42 100644
--- a/openmc/mgxs/groups.py
+++ b/openmc/mgxs/groups.py
@@ -300,3 +300,139 @@ class EnergyGroups:
         # Assign merged edges to merged groups
         merged_groups.group_edges = list(merged_edges)
         return merged_groups
+
+
+def convert_flux_groups(flux, source_groups, target_groups):
+    """Convert flux spectrum between energy group structures.
+
+    Uses flux-per-unit-lethargy conservation, which assumes constant flux per
+    unit lethargy within each source group and distributes flux to target
+    groups proportionally to their lethargy width.
+
+    .. versionadded:: 0.15.4
+
+    Parameters
+    ----------
+    flux : Iterable of float
+        Flux values for source groups. Length must equal
+        source_groups.num_groups.
+    source_groups : EnergyGroups or str
+        Energy group structure of the input flux with boundaries in [eV].
+        Can be an EnergyGroups instance or the name of a group structure
+        (e.g., 'CCFE-709').
+    target_groups : EnergyGroups or str
+        Target energy group structure with boundaries in [eV]. Can be an
+        EnergyGroups instance or the name of a group structure
+        (e.g., 'UKAEA-1102').
+
+    Returns
+    -------
+    numpy.ndarray
+        Flux values for target groups. Total flux is conserved for
+        overlapping energy regions.
+
+    Raises
+    ------
+    TypeError
+        If source_groups or target_groups is not EnergyGroups or str
+    ValueError
+        If flux length doesn't match source_groups, or flux contains
+        negative, NaN, or infinite values
+
+    See Also
+    --------
+    EnergyGroups : Energy group structure class
+
+    Notes
+    -----
+    The assumption of constant flux per unit lethargy within each source
+    group is physically reasonable for most reactor spectra but is not
+    exact. For best accuracy, use source spectra with sufficiently fine
+    energy resolution.
+
+    Examples
+    --------
+    Convert FNS 709-group flux to UKAEA-1102 structure:
+
+    >>> import numpy as np
+    >>> flux_709 = np.load('tests/fns_flux_709.npy')
+    >>> flux_1102 = openmc.mgxs.convert_flux_groups(flux_709, 'CCFE-709', 'UKAEA-1102')
+
+    Convert using EnergyGroups instances:
+
+    >>> source = openmc.mgxs.EnergyGroups([1.0, 10.0, 100.0])
+    >>> target = openmc.mgxs.EnergyGroups([1.0, 5.0, 10.0, 50.0, 100.0])
+    >>> flux_target = openmc.mgxs.convert_flux_groups([1e8, 2e8], source, target)
+
+    References
+    ----------
+    .. [1] J. J. Duderstadt and L. J. Hamilton, "Nuclear Reactor Analysis,"
+       John Wiley & Sons, 1976.
+    .. [2] M. Fleming and J.-Ch. Sublet, "FISPACT-II User Manual,"
+       UKAEA-R(18)001, UK Atomic Energy Authority, 2018. See GRPCONVERT keyword.
+
+    """
+    # Handle string group structure names
+    if isinstance(source_groups, str):
+        source_groups = EnergyGroups(source_groups)
+    if isinstance(target_groups, str):
+        target_groups = EnergyGroups(target_groups)
+
+    # Type validation
+    cv.check_type('source_groups', source_groups, EnergyGroups)
+    cv.check_type('target_groups', target_groups, EnergyGroups)
+
+    # Convert flux to numpy array
+    flux = np.asarray(flux, dtype=np.float64)
+    if flux.ndim != 1:
+        raise ValueError(f'flux must be 1-dimensional, got shape {flux.shape}')
+
+    # Validate flux length matches source groups
+    if len(flux) != source_groups.num_groups:
+        raise ValueError(
+            f'Length of flux ({len(flux)}) must equal number of source '
+            f'groups ({source_groups.num_groups})'
+        )
+
+    # Check for invalid flux values
+    if np.any(np.isnan(flux)):
+        raise ValueError('flux contains NaN values')
+    if np.any(np.isinf(flux)):
+        raise ValueError('flux contains infinite values')
+    if np.any(flux < 0):
+        raise ValueError('flux values must be non-negative')
+
+    # Get energy edges
+    source_edges = source_groups.group_edges
+    target_edges = target_groups.group_edges
+    num_target = target_groups.num_groups
+
+    # Initialize output array
+    flux_target = np.zeros(num_target)
+
+    # Main conversion loop: distribute flux using lethargy weighting
+    for idx_src, flux_src in enumerate(flux):
+        if flux_src == 0:
+            continue
+
+        e_low_src = source_edges[idx_src]
+        e_high_src = source_edges[idx_src + 1]
+        lethargy_src = np.log(e_high_src / e_low_src)
+
+        for idx_tgt in range(num_target):
+            e_low_tgt = target_edges[idx_tgt]
+            e_high_tgt = target_edges[idx_tgt + 1]
+
+            # Skip non-overlapping groups
+            if e_high_tgt <= e_low_src or e_low_tgt >= e_high_src:
+                continue
+
+            # Calculate overlap region
+            e_low_overlap = max(e_low_src, e_low_tgt)
+            e_high_overlap = min(e_high_src, e_high_tgt)
+            lethargy_overlap = np.log(e_high_overlap / e_low_overlap)
+
+            # Distribute flux proportionally to lethargy fraction
+            flux_target[idx_tgt] += flux_src * (lethargy_overlap / lethargy_src)
+
+    return flux_target
diff --git a/tests/fns_flux_709.npy b/tests/fns_flux_709.npy
new file mode 100644
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diff --git a/tests/unit_tests/test_mgxs_convert_flux.py b/tests/unit_tests/test_mgxs_convert_flux.py
new file mode 100644
index 000000000..e235f88e0
--- /dev/null
+++ b/tests/unit_tests/test_mgxs_convert_flux.py
@@ -0,0 +1,62 @@
+"""Tests for openmc.mgxs.convert_flux_groups function."""
+
+import numpy as np
+import pytest
+from pytest import approx
+
+import openmc.mgxs
+
+
+def test_coarse_to_fine():
+    """Test coarse to fine conversion with flux conservation."""
+    source = openmc.mgxs.EnergyGroups([1.0, 10.0, 100.0])
+    target = openmc.mgxs.EnergyGroups([1.0, 5.0, 10.0, 50.0, 100.0])
+    flux_source = np.array([1e8, 2e8])
+
+    flux_target = openmc.mgxs.convert_flux_groups(flux_source, source, target)
+
+    # Check conservation
+    assert np.sum(flux_target) == approx(np.sum(flux_source))
+    assert len(flux_target) == 4
+    assert np.all(flux_target >= 0)
+
+
+def test_fine_to_coarse():
+    """Test fine to coarse conversion (reverse direction)."""
+    source = openmc.mgxs.EnergyGroups([1.0, 5.0, 10.0, 50.0, 100.0])
+    target = openmc.mgxs.EnergyGroups([1.0, 10.0, 100.0])
+    flux_source = np.array([1e7, 2e7, 3e7, 4e7])
+
+    flux_target = openmc.mgxs.convert_flux_groups(flux_source, source, target)
+
+    assert np.sum(flux_target) == approx(np.sum(flux_source))
+    assert len(flux_target) == 2
+
+
+def test_lethargy_distribution():
+    """Test that flux is distributed by lethargy, not linear energy."""
+    # Single group from 1 to 100 eV
+    source = openmc.mgxs.EnergyGroups([1.0, 100.0])
+    # Split into two groups: 1-10 eV and 10-100 eV
+    target = openmc.mgxs.EnergyGroups([1.0, 10.0, 100.0])
+    flux_source = np.array([1e8])
+
+    flux_target = openmc.mgxs.convert_flux_groups(flux_source, source, target)
+
+    # Each target group spans one decade (ln(10) lethargy each)
+    # So flux should be split 50/50 by lethargy
+    assert flux_target[0] == approx(5e7)
+    assert flux_target[1] == approx(5e7)
+
+
+def test_fns_ccfe709_to_ukaea1102():
+    """Test CCFE-709 to UKAEA-1102 conversion with real FNS flux spectrum."""
+    from pathlib import Path
+    flux_file = Path(__file__).parent.parent / 'fns_flux_709.npy'
+    fns_flux_709 = np.load(flux_file)
+
+    flux_1102 = openmc.mgxs.convert_flux_groups(fns_flux_709, 'CCFE-709', 'UKAEA-1102')
+
+    assert len(flux_1102) == 1102
+    assert np.sum(flux_1102) == approx(np.sum(fns_flux_709), rel=1e-10)
+    assert np.all(flux_1102 >= 0)

From 0486e433d2c362253e2be27ffdaa8486376b518a Mon Sep 17 00:00:00 2001
From: Jack Fletcher <115663563+j-fletcher@users.noreply.github.com>
Date: Mon, 12 Jan 2026 10:51:12 -0500
Subject: [PATCH 2479/2654] Source biasing capabilities (#3460)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 docs/source/io_formats/settings.rst           |  34 +-
 docs/source/methods/variance_reduction.rst    |  82 ++-
 docs/source/usersguide/settings.rst           |   6 +
 docs/source/usersguide/variance_reduction.rst | 155 ++++-
 include/openmc/distribution.h                 | 188 ++++--
 include/openmc/distribution_multi.h           |  43 +-
 include/openmc/distribution_spatial.h         |  37 +-
 include/openmc/source.h                       |   4 +-
 openmc/filter.py                              |   2 +-
 openmc/settings.py                            |   9 +-
 openmc/stats/multivariate.py                  | 142 ++++-
 openmc/stats/univariate.py                    | 574 ++++++++++++++++--
 src/chain.cpp                                 |   4 +-
 src/distribution.cpp                          | 288 +++++++--
 src/distribution_angle.cpp                    |   2 +-
 src/distribution_multi.cpp                    |  69 ++-
 src/distribution_spatial.cpp                  | 106 +++-
 src/secondary_correlated.cpp                  |   4 +-
 src/source.cpp                                |  24 +-
 tests/cpp_unit_tests/test_distribution.cpp    |   4 +-
 .../regression_tests/source/results_true.dat  |   2 +-
 tests/unit_tests/__init__.py                  |   9 +
 tests/unit_tests/test_source_biasing.py       | 276 +++++++++
 tests/unit_tests/test_stats.py                | 191 +++++-
 24 files changed, 2003 insertions(+), 252 deletions(-)
 create mode 100644 tests/unit_tests/test_source_biasing.py

diff --git a/docs/source/io_formats/settings.rst b/docs/source/io_formats/settings.rst
index b7874fcf2..b986a526a 100644
--- a/docs/source/io_formats/settings.rst
+++ b/docs/source/io_formats/settings.rst
@@ -844,13 +844,18 @@ attributes/sub-elements:
       relative source strength of each mesh element or each point in the cloud.
 
     :volume_normalized:
-      For "mesh" spatial distrubtions, this optional boolean element specifies
+      For "mesh" spatial distributions, this optional boolean element specifies
       whether the vector of relative strengths should be multiplied by the mesh
       element volume. This is most common if the strengths represent a source
       per unit volume.
 
       *Default*: false
 
+    :bias:
+      For "mesh" and "cloud" spatial distributions, this optional element
+      specifies floating point values corresponding to alternative probabilities
+      for each value/component to use for biased sampling.
+
   :angle:
     An element specifying the angular distribution of source sites. This element
     has the following attributes:
@@ -883,6 +888,10 @@ attributes/sub-elements:
       are those of a univariate probability distribution (see the description in
       :ref:`univariate`).
 
+    :bias:
+      For "isotropic" angular distributions, this optional element specifies a
+      "mu-phi" angular distribution used for biased sampling.
+
   :energy:
     An element specifying the energy distribution of source sites. The necessary
     sub-elements/attributes are those of a univariate probability distribution
@@ -906,6 +915,10 @@ attributes/sub-elements:
     mesh element and follows the format for :ref:`source_element`. The number of
     ``<source>`` sub-elements should correspond to the number of mesh elements.
 
+  .. note:: Biased sampling can be applied to the spatial and energy distributions
+            of a source by using the ``<bias>`` sub-element (see
+            :ref:`univariate` for details on how to specify bias distributions).
+
   :constraints:
     This sub-element indicates the presence of constraints on sampled source
     sites (see :ref:`usersguide_source_constraints` for details). It may have
@@ -998,13 +1011,26 @@ variable and whose sub-elements/attributes are as follows:
   *Default*: histogram
 
 :pair:
-  For a "mixture" distribution, this element provides a distribution and its corresponding probability.
+  For a "mixture" distribution, this element provides a distribution and its
+  corresponding probability.
 
   :probability:
-    An attribute or ``pair`` that provides the probability of a univariate distribution within a "mixture" distribution.
+    An attribute or ``pair`` that provides the probability of a univariate
+    distribution within a "mixture" distribution.
 
   :dist:
-    This sub-element of a ``pair`` element provides information on the corresponding univariate distribution.
+    This sub-element of a ``pair`` element provides information on the
+    corresponding univariate distribution.
+
+:bias:
+  This optional element specifies a biased distribution for importance sampling.
+  For continuous distributions, the ``bias`` element should contain another
+  univariate distribution with the same support (interval) as the parent
+  distribution. For discrete distributions, the ``bias`` element should contain
+  floating point values corresponding to alternative probabilities for each
+  value/component to be used for biased sampling.
+
+  *Default*: None
 
 ---------------------------------------
 ``<source_rejection_fraction>`` Element
diff --git a/docs/source/methods/variance_reduction.rst b/docs/source/methods/variance_reduction.rst
index 353ae5077..cdda5ea92 100644
--- a/docs/source/methods/variance_reduction.rst
+++ b/docs/source/methods/variance_reduction.rst
@@ -22,12 +22,14 @@ not experience a single scoring event, even after billions of analog histories.
 Variance reduction techniques aim to either flatten the global uncertainty
 distribution, such that all regions of phase space have a fairly similar
 uncertainty, or to reduce the uncertainty in specific locations (such as a
-detector). There are two strategies available in OpenMC for variance reduction:
-the Monte Carlo MAGIC method and the FW-CADIS method. Both strategies work by
-developing a weight window mesh that can be utilized by subsequent Monte Carlo
-solves to split particles heading towards areas of lower flux densities while
-terminating particles in higher flux regions---all while maintaining a fair
-game.
+detector). There are three strategies available in OpenMC for variance
+reduction: weight windows generated via the MAGIC method or the FW-CADIS method,
+and source biasing. Both weight windowing strategies work by developing a mesh
+that can be utilized by subsequent Monte Carlo solves to split particles heading
+towards areas of lower flux densities while terminating particles in higher flux
+regions. In contrast, source biasing modifies source site sampling behavior to
+preferentially track particles more likely to reach phase space regions of
+interest.
 
 ------------
 MAGIC Method
@@ -132,3 +134,71 @@ aware of this.
     :label: variance_fom
 
     \text{FOM} = \frac{1}{\text{Time} \times \sigma^2}
+
+.. _methods_source_biasing:
+
+--------------
+Source Biasing
+--------------
+
+In contrast to the previous two methods that introduce population controls
+during transport, source biasing modifies the sampling of the external source
+distribution. The basic premise of the technique is that for each spatial,
+angular, energy, or time distribution of a source, an additional distribution
+can be specified provided that the two share a common support (set of points
+where the distribution is nonzero). Samples are then drawn from this "bias"
+distribution, which can be chosen to preferentially direct particles towards
+phase space regions of interest. In order to avoid biasing the tally results,
+however, a weight adjustment is applied to each sampled site as described below.
+
+Assume that the unbiased probability density function of a random variable
+:math:`X:x \rightarrow \mathbb{R}` is given by :math:`f(x)`, but that using the
+biased distribution :math:`g(x)` will result in a greater number of particle
+trajectories reaching some phase space region of interest. Then a sample
+:math:`x_0` may be drawn from :math:`g(x)` while maintaining a fair game,
+provided that its weight is adjusted as:
+
+.. math::
+    :label: source_bias
+
+    w = w_0 \times \frac{f(x_0)}{g(x_0)}
+
+where :math:`w_0` is the weight of an unbiased sample from :math:`f(x)`,
+typically unity.
+
+Returning now to Equation :eq:`source_bias`, the requirement for common support
+becomes evident. If :math:`\mathrm{supp} (g)` fully contains but is not
+identical to :math:`\mathrm{supp} (f)`, then some samples from :math:`g(x)` will
+correspond to points where :math:`f(x) = 0`. Thus these source sites would be
+assigned a starting weight of 0, meaning the particles would be killed
+immediately upon transport, effectively wasting computation time. Conversely, if
+:math:`\mathrm{supp} (g)` is fully contained by but not identical to
+:math:`\mathrm{supp} (f)`, the contributions of some regions outside
+:math:`\mathrm{supp} (g)` will not be counted towards the integral, potentially
+biasing the tally. The weight assigned to such points would be undefined since
+:math:`g(x) = \mathbf{0}` at these points.
+
+When an independent source is sampled in OpenMC, the particle's coordinate in
+each variable of phase space :math:`(\mathbf{r},\mathbf{\Omega},E,t)` is
+successively drawn from an independent probability distribution. Multiple
+variables can be biased, in which case the resultant weight :math:`w` applied to
+the particle is the product of the weights assigned from all sampled
+distributions: space, angle, energy, and time, as shown in Equation
+:eq:`tot_wgt`.
+
+.. math::
+    :label: tot_wgt
+
+    w = w_r \times w_{\Omega} \times w_E \times w_t
+
+Finally, source biasing and weight windows serve different purposes. Source
+biasing changes how particles are born, allowing the initial source sites to be
+sampled preferentially from important regions of phase space (space, angle,
+energy, and time) with an accompanying weight adjustment. Weight windows, by
+contrast, apply population control during transport (splitting and Russian
+roulette) to help particles reach and contribute in important regions as they
+move through the system. Because particle transport proceeds as usual after a
+biased source is sampled, particle attenuation in optically thick regions
+outside the source volume will not be affected by source biasing; in such
+scenarios, transport biasing techniques such as weight windows are often more
+effective.
diff --git a/docs/source/usersguide/settings.rst b/docs/source/usersguide/settings.rst
index f973f1465..b9c693ba1 100644
--- a/docs/source/usersguide/settings.rst
+++ b/docs/source/usersguide/settings.rst
@@ -272,6 +272,12 @@ option::
   settings.source = [src1, src2]
   settings.uniform_source_sampling = True
 
+Additionally, sampling from an :class:`openmc.IndependentSource` may be biased
+for local or global variance reduction by modifying the
+:attr:`~openmc.IndependentSource.bias` attribute of each of its four main
+distributions. Further discussion of source biasing can be found in
+:ref:`source_biasing`.
+
 Finally, the :attr:`IndependentSource.particle` attribute can be used to
 indicate the source should be composed of particles other than neutrons. For
 example, the following would generate a photon source::
diff --git a/docs/source/usersguide/variance_reduction.rst b/docs/source/usersguide/variance_reduction.rst
index 93321e107..8d41807e1 100644
--- a/docs/source/usersguide/variance_reduction.rst
+++ b/docs/source/usersguide/variance_reduction.rst
@@ -5,10 +5,12 @@ Variance Reduction
 ==================
 
 Global variance reduction in OpenMC is accomplished by weight windowing
-techniques. OpenMC is capable of generating weight windows using either the
-MAGIC or FW-CADIS methods. Both techniques will produce a ``weight_windows.h5``
-file that can be loaded and used later on. In this section, we break down the
-steps required to both generate and then apply weight windows.
+or source biasing techniques, the latter of which additionally provides a
+local variance reduction capability. OpenMC is capable of generating weight
+windows using either the MAGIC or FW-CADIS methods. Both techniques will
+produce a ``weight_windows.h5`` file that can be loaded and used later on. In
+this section, we first break down the steps required to generate and apply
+weight windows, then describe how source biasing may be applied.
 
 .. _ww_generator:
 
@@ -172,3 +174,148 @@ Weight window mesh information is embedded into the weight window file, so the
 mesh does not need to be redefined. Monte Carlo solves that load a weight window
 file as above will utilize weight windows to reduce the variance of the
 simulation.
+
+.. _source_biasing:
+
+--------------
+Source Biasing
+--------------
+
+In fixed source problems, source biasing provides a means to reduce the variance
+on global or localized responses, depending on the biasing scheme. In either
+case, the premise of the method is to sample source sites from a biased
+distribution that directs a larger fraction of the simulated histories towards
+phase space regions of interest than would be found there under analog sampling.
+In order to preserve an unbiased estimate of the tally mean, the weight of these
+with analog sampling, divided by the probability assigned by the biased
+distribution. While the assignment of statistical weights is outlined in the
+:ref:`methods section <methods_source_biasing>`, this section demonstrates the
+implementation of source biasing to problems in OpenMC.
+
+Source biasing in OpenMC is accomplished by applying a distribution to the
+:attr:`bias` attribute of one or more of the univariate or independent
+multivariate distributions which make up an :class:`~openmc.IndependentSource`
+instance as follows::
+
+    # First create the biased distribution
+    biased_dist = openmc.stats.PowerLaw(a=0, b=3, n=3)
+
+    # Construct a new distribution with the bias applied
+    dist = openmc.stats.PowerLaw(a=0, b=3, n=2, bias=biased_dist)
+
+    # The bias attribute can also be set on an existing "analog" distribution:
+    sphere_dist = openmc.stats.spherical_uniform(r_outer=3)
+    sphere_dist.r.bias = biased_dist
+
+Univariate distributions may be sampled via the Python API, returning the
+sample(s) along with the associated weight(s)::
+
+    sample_vec, wgt_vec = dist.sample(n_samples=100)
+
+Here, if the distribution is unbiased, the weight of each sample will be unity.
+Finally, :class:`~openmc.IndependentSource` instances can be constructed with
+biased distributions::
+
+    # Create a source with a biased spatial distribution
+    source = openmc.IndependentSource(space=sphere_dist)
+
+During the simulation, source sites are then sampled using the biased
+distributions where available and given starting statistical weights
+corresponding to the cumulative product of the weights assigned by each
+distribution in the source object. Hence multiple source variables (e.g.,
+direction and energy) may be biased and the resulting source sites will have
+their weights adjusted accordingly.
+
+.. note::
+    Combining source biasing with weight windows can be a powerful variance
+    reduction technique if each is constructed appropriately for the response
+    of interest. For example, if a source biasing scheme is devised for
+    variance reduction of a specific localized response, the user may be able
+    to specify their own weight window structure that results in more efficient
+    transport than if weight windows were generated by either of OpenMC's
+    automatic weight window generators, which are intended for global variance
+    reduction.
+
+Biased distributions that could result in degenerate weight mappings are not
+recommended; this is most commonly seen when biasing the :math:`\phi`-coordinate
+of spherical or cylindrical independent multivariate distributions. In such
+cases degenerate behavior will be observed at the pole about which :math:`\phi`
+is measured, with all values of :math:`\phi` (hence many possible statistical
+weights) mapping to the same point for :math:`r=0` or :math:`\mu=0`, and large
+weight gradients in the vicinity. In most cases requiring a spherical
+independent source, it would be preferable to reorient the reference vector of
+the distribution such that biasing could be applied to the
+:math:`\mu`-coordinate instead.
+
+When biasing a distribution, care should also be taken to ensure that both the
+unbiased and biased distribution share a common support---that is, every region
+of phase space mapped to a nonzero probability density by the unbiased
+distribution should likewise map to nonzero probability under the biased
+distribution, and vice versa. In OpenMC, this places restrictions on the set of
+compatible distributions that may be used to bias sampling of each distribution
+type. The following table summarizes the method for each distribution in OpenMC
+that permits biased sampling.
+
+.. list-table:: **Distributions that support biased sampling**
+   :header-rows: 1
+   :widths: 35 65
+
+   * - Discrete Univariate PDFs
+     - Biasing Method
+   * - :class:`openmc.stats.Discrete`
+     - Apply a vector of alternative probabilities to the :attr:`bias`
+       attribute
+
+.. list-table::
+   :header-rows: 1
+   :widths: 35 65
+
+   * - Continuous Univariate PDFs
+     - Biasing Method
+   * - :class:`openmc.stats.Uniform`,
+       :class:`openmc.stats.PowerLaw`,
+       :class:`openmc.stats.Maxwell`,
+       :class:`openmc.stats.Watt`,
+       :class:`openmc.stats.Normal`,
+       :class:`openmc.stats.Tabular`
+     - Apply a second, unbiased continous univariate PDF to the :attr:`bias`
+       attribute, ensuring that the :attr:`support` attribute of each
+       distribution is the same
+
+.. list-table::
+   :header-rows: 1
+   :widths: 35 65
+
+   * - Mixed Univariate PDFs
+     - Biasing Method
+   * - :class:`openmc.stats.Mixture`
+     - May be constructed from multiple biased univariate distributions, or a
+       second, unbiased continous univariate PDF may be applied to the
+       :attr:`bias` attribute
+
+.. list-table::
+   :header-rows: 1
+   :widths: 35 65
+
+   * - Discrete Multivariate PDFs
+     - Biasing Method
+   * - :class:`openmc.stats.PointCloud`,
+       :class:`openmc.stats.MeshSpatial`
+     - Apply a vector of the new relative probabilities of each point or mesh
+       element under biased sampling to the :attr:`bias` attribute
+
+.. list-table::
+   :header-rows: 1
+   :widths: 35 65
+
+   * - Continuous Multivariate PDFs
+     - Biasing Method
+   * - :class:`openmc.stats.CartesianIndependent`,
+       :class:`openmc.stats.CylindricalIndependent`,
+       :class:`openmc.stats.SphericalIndependent`,
+       :class:`openmc.stats.PolarAzimuthal`
+     - Construct from biased univariate distributions for :attr:`x`, :attr:`y`,
+       :attr:`z`, etc.
+   * - :class:`openmc.stats.Isotropic`
+     - Apply an unbiased :class:`openmc.stats.PolarAzimuthal` to the
+       :attr:`bias` attribute
diff --git a/include/openmc/distribution.h b/include/openmc/distribution.h
index 854cf7d77..80fe70bae 100644
--- a/include/openmc/distribution.h
+++ b/include/openmc/distribution.h
@@ -15,6 +15,17 @@
 
 namespace openmc {
 
+//==============================================================================
+// Helper function for computing importance weights from biased sampling
+//==============================================================================
+
+//! Compute importance weights for biased sampling
+//! \param p Unnormalized original probability vector
+//! \param b Unnormalized bias probability vector
+//! \return Vector of importance weights (p_norm[i] / b_norm[i])
+vector<double> compute_importance_weights(
+  const vector<double>& p, const vector<double>& b);
+
 //==============================================================================
 //! Abstract class representing a univariate probability distribution
 //==============================================================================
@@ -22,11 +33,41 @@ namespace openmc {
 class Distribution {
 public:
   virtual ~Distribution() = default;
-  virtual double sample(uint64_t* seed) const = 0;
+
+  //! Sample a value from the distribution, handling biasing automatically
+  //! \param seed Pseudorandom number seed pointer
+  //! \return (sampled value, importance weight)
+  virtual std::pair<double, double> sample(uint64_t* seed) const;
+
+  //! Evaluate probability density, f(x), at a point
+  //! \param x Point to evaluate f(x)
+  //! \return f(x)
+  virtual double evaluate(double x) const;
 
   //! Return integral of distribution
   //! \return Integral of distribution
   virtual double integral() const { return 1.0; };
+
+  //! Set bias distribution
+  virtual void set_bias(std::unique_ptr<Distribution> bias)
+  {
+    bias_ = std::move(bias);
+  }
+
+  const Distribution* bias() const { return bias_.get(); }
+
+protected:
+  //! Sample a value (unbiased) from the distribution
+  //! \param seed Pseudorandom number seed pointer
+  //! \return Sampled value
+  virtual double sample_unbiased(uint64_t* seed) const = 0;
+
+  //! Read bias distribution from XML
+  //! \param node XML node that may contain a bias child element
+  void read_bias_from_xml(pugi::xml_node node);
+
+  // Biasing distribution
+  unique_ptr<Distribution> bias_;
 };
 
 using UPtrDist = unique_ptr<Distribution>;
@@ -50,7 +91,7 @@ public:
 
   //! Sample a value from the distribution
   //! \param seed Pseudorandom number seed pointer
-  //! \return Sampled value
+  //! \return Sampled index
   size_t sample(uint64_t* seed) const;
 
   // Properties
@@ -67,7 +108,7 @@ private:
   //! Normalize distribution so that probabilities sum to unity
   void normalize();
 
-  //! Initialize alias tables for distribution
+  //! Initialize alias table for sampling
   void init_alias();
 };
 
@@ -82,20 +123,30 @@ public:
 
   //! Sample a value from the distribution
   //! \param seed Pseudorandom number seed pointer
-  //! \return Sampled value
-  double sample(uint64_t* seed) const override;
+  //! \return (sampled value, sample weight)
+  std::pair<double, double> sample(uint64_t* seed) const override;
 
   double integral() const override { return di_.integral(); };
 
+  //! Override set_bias as no-op (bias handled in constructor)
+  void set_bias(std::unique_ptr<Distribution> bias) override {}
+
   // Properties
   const vector<double>& x() const { return x_; }
   const vector<double>& prob() const { return di_.prob(); }
   const vector<size_t>& alias() const { return di_.alias(); }
+  const vector<double>& weight() const { return weight_; }
+
+protected:
+  //! Sample a value (unbiased) from the distribution
+  //! \param seed Pseudorandom number seed pointer
+  //! \return Sampled value
+  double sample_unbiased(uint64_t* seed) const override;
 
 private:
-  vector<double> x_; //!< Possible outcomes
-  DiscreteIndex di_; //!< discrete probability distribution of
-                     //!< outcome indices
+  vector<double> x_;      //!< Possible outcomes
+  vector<double> weight_; //!< Importance weights (empty if unbiased)
+  DiscreteIndex di_; //!< Discrete probability distribution of outcome indices
 };
 
 //==============================================================================
@@ -107,14 +158,20 @@ public:
   explicit Uniform(pugi::xml_node node);
   Uniform(double a, double b) : a_ {a}, b_ {b} {};
 
-  //! Sample a value from the distribution
-  //! \param seed Pseudorandom number seed pointer
-  //! \return Sampled value
-  double sample(uint64_t* seed) const override;
+  //! Evaluate probability density, f(x), at a point
+  //! \param x Point to evaluate f(x)
+  //! \return f(x)
+  double evaluate(double x) const override;
 
   double a() const { return a_; }
   double b() const { return b_; }
 
+protected:
+  //! Sample a value (unbiased) from the distribution
+  //! \param seed Pseudorandom number seed pointer
+  //! \return Sampled value
+  double sample_unbiased(uint64_t* seed) const override;
+
 private:
   double a_; //!< Lower bound of distribution
   double b_; //!< Upper bound of distribution
@@ -131,15 +188,21 @@ public:
     : offset_ {std::pow(a, n + 1)}, span_ {std::pow(b, n + 1) - offset_},
       ninv_ {1 / (n + 1)} {};
 
-  //! Sample a value from the distribution
-  //! \param seed Pseudorandom number seed pointer
-  //! \return Sampled value
-  double sample(uint64_t* seed) const override;
+  //! Evaluate probability density, f(x), at a point
+  //! \param x Point to evaluate f(x)
+  //! \return f(x)
+  double evaluate(double x) const override;
 
   double a() const { return std::pow(offset_, ninv_); }
   double b() const { return std::pow(offset_ + span_, ninv_); }
   double n() const { return 1 / ninv_ - 1; }
 
+protected:
+  //! Sample a value (unbiased) from the distribution
+  //! \param seed Pseudorandom number seed pointer
+  //! \return Sampled value
+  double sample_unbiased(uint64_t* seed) const override;
+
 private:
   //! Store processed values in object to allow for faster sampling
   double offset_; //!< a^(n+1)
@@ -156,13 +219,19 @@ public:
   explicit Maxwell(pugi::xml_node node);
   Maxwell(double theta) : theta_ {theta} {};
 
-  //! Sample a value from the distribution
-  //! \param seed Pseudorandom number seed pointer
-  //! \return Sampled value
-  double sample(uint64_t* seed) const override;
+  //! Evaluate probability density, f(x), at a point
+  //! \param x Point to evaluate f(x)
+  //! \return f(x)
+  double evaluate(double x) const override;
 
   double theta() const { return theta_; }
 
+protected:
+  //! Sample a value (unbiased) from the distribution
+  //! \param seed Pseudorandom number seed pointer
+  //! \return Sampled value
+  double sample_unbiased(uint64_t* seed) const override;
+
 private:
   double theta_; //!< Factor in exponential [eV]
 };
@@ -176,14 +245,20 @@ public:
   explicit Watt(pugi::xml_node node);
   Watt(double a, double b) : a_ {a}, b_ {b} {};
 
-  //! Sample a value from the distribution
-  //! \param seed Pseudorandom number seed pointer
-  //! \return Sampled value
-  double sample(uint64_t* seed) const override;
+  //! Evaluate probability density, f(x), at a point
+  //! \param x Point to evaluate f(x)
+  //! \return f(x)
+  double evaluate(double x) const override;
 
   double a() const { return a_; }
   double b() const { return b_; }
 
+protected:
+  //! Sample a value (unbiased) from the distribution
+  //! \param seed Pseudorandom number seed pointer
+  //! \return Sampled value
+  double sample_unbiased(uint64_t* seed) const override;
+
 private:
   double a_; //!< Factor in exponential [eV]
   double b_; //!< Factor in square root [1/eV]
@@ -200,14 +275,20 @@ public:
   Normal(double mean_value, double std_dev)
     : mean_value_ {mean_value}, std_dev_ {std_dev} {};
 
-  //! Sample a value from the distribution
-  //! \param seed Pseudorandom number seed pointer
-  //! \return Sampled value
-  double sample(uint64_t* seed) const override;
+  //! Evaluate probability density, f(x), at a point
+  //! \param x Point to evaluate f(x)
+  //! \return f(x)
+  double evaluate(double x) const override;
 
   double mean_value() const { return mean_value_; }
   double std_dev() const { return std_dev_; }
 
+protected:
+  //! Sample a value (unbiased) from the distribution
+  //! \param seed Pseudorandom number seed pointer
+  //! \return Sampled value
+  double sample_unbiased(uint64_t* seed) const override;
+
 private:
   double mean_value_; //!< middle of distribution [eV]
   double std_dev_;    //!< standard deviation [eV]
@@ -223,10 +304,10 @@ public:
   Tabular(const double* x, const double* p, int n, Interpolation interp,
     const double* c = nullptr);
 
-  //! Sample a value from the distribution
-  //! \param seed Pseudorandom number seed pointer
-  //! \return Sampled value
-  double sample(uint64_t* seed) const override;
+  //! Evaluate probability density, f(x), at a point
+  //! \param x Point to evaluate f(x)
+  //! \return f(x)
+  double evaluate(double x) const override;
 
   // properties
   vector<double>& x() { return x_; }
@@ -235,6 +316,12 @@ public:
   Interpolation interp() const { return interp_; }
   double integral() const override { return integral_; };
 
+protected:
+  //! Sample a value (unbiased) from the distribution
+  //! \param seed Pseudorandom number seed pointer
+  //! \return Sampled value
+  double sample_unbiased(uint64_t* seed) const override;
+
 private:
   vector<double> x_;     //!< tabulated independent variable
   vector<double> p_;     //!< tabulated probability density
@@ -259,13 +346,19 @@ public:
   explicit Equiprobable(pugi::xml_node node);
   Equiprobable(const double* x, int n) : x_ {x, x + n} {};
 
-  //! Sample a value from the distribution
-  //! \param seed Pseudorandom number seed pointer
-  //! \return Sampled value
-  double sample(uint64_t* seed) const override;
+  //! Evaluate probability density, f(x), at a point
+  //! \param x Point to evaluate f(x)
+  //! \return f(x)
+  double evaluate(double x) const override;
 
   const vector<double>& x() const { return x_; }
 
+protected:
+  //! Sample a value (unbiased) from the distribution
+  //! \param seed Pseudorandom number seed pointer
+  //! \return Sampled value
+  double sample_unbiased(uint64_t* seed) const override;
+
 private:
   vector<double> x_; //! Possible outcomes
 };
@@ -280,18 +373,25 @@ public:
 
   //! Sample a value from the distribution
   //! \param seed Pseudorandom number seed pointer
-  //! \return Sampled value
-  double sample(uint64_t* seed) const override;
+  //! \return (sampled value, sample weight)
+  std::pair<double, double> sample(uint64_t* seed) const override;
 
   double integral() const override { return integral_; }
 
-private:
-  // Storrage for probability + distribution
-  using DistPair = std::pair<double, UPtrDist>;
+  //! Override set_bias as no-op (bias handled in constructor)
+  void set_bias(std::unique_ptr<Distribution> bias) override {}
 
-  vector<DistPair>
-    distribution_;  //!< sub-distributions + cummulative probabilities
-  double integral_; //!< integral of distribution
+protected:
+  //! Sample a value (unbiased) from the distribution
+  //! \param seed Pseudorandom number seed pointer
+  //! \return Sampled value
+  double sample_unbiased(uint64_t* seed) const override;
+
+private:
+  vector<UPtrDist> distribution_; //!< Sub-distributions
+  vector<double> weight_; //!< Importance weights for component selection
+  DiscreteIndex di_;      //!< Discrete probability distribution of indices
+  double integral_;       //!< Integral of distribution
 };
 
 } // namespace openmc
diff --git a/include/openmc/distribution_multi.h b/include/openmc/distribution_multi.h
index 75126593f..7b9c2abf8 100644
--- a/include/openmc/distribution_multi.h
+++ b/include/openmc/distribution_multi.h
@@ -26,8 +26,8 @@ public:
 
   //! Sample a direction from the distribution
   //! \param seed Pseudorandom number seed pointer
-  //! \return Direction sampled
-  virtual Direction sample(uint64_t* seed) const = 0;
+  //! \return (sampled Direction, sample weight)
+  virtual std::pair<Direction, double> sample(uint64_t* seed) const = 0;
 
   Direction u_ref_ {0.0, 0.0, 1.0}; //!< reference direction
 };
@@ -43,14 +43,28 @@ public:
 
   //! Sample a direction from the distribution
   //! \param seed Pseudorandom number seed pointer
-  //! \return Direction sampled
-  Direction sample(uint64_t* seed) const override;
+  //! \return (sampled Direction, sample weight)
+  std::pair<Direction, double> sample(uint64_t* seed) const override;
+
+  //! Sample a direction and return evaluation of the PDF for biased sampling.
+  //! Note that bias distributions are intended to return unit-weight samples.
+  //! \param seed Pseudorandom number seed points
+  //! \return (sampled Direction, value of the PDF at this Direction)
+  std::pair<Direction, double> sample_as_bias(uint64_t* seed) const;
 
   // Observing pointers
   Distribution* mu() const { return mu_.get(); }
   Distribution* phi() const { return phi_.get(); }
 
 private:
+  //! Common sampling implementation
+  //! \param seed Pseudorandom number seed pointer
+  //! \param return_pdf If true, return PDF evaluation; if false, return
+  //!        importance weight
+  //! \return (sampled Direction, weight or PDF value)
+  std::pair<Direction, double> sample_impl(
+    uint64_t* seed, bool return_pdf) const;
+
   Direction v_ref_ {1.0, 0.0, 0.0}; //!< reference direction
   Direction w_ref_;
   UPtrDist mu_;  //!< Distribution of polar angle
@@ -66,11 +80,24 @@ Direction isotropic_direction(uint64_t* seed);
 class Isotropic : public UnitSphereDistribution {
 public:
   Isotropic() {};
+  explicit Isotropic(pugi::xml_node node);
 
   //! Sample a direction from the distribution
   //! \param seed Pseudorandom number seed pointer
-  //! \return Sampled direction
-  Direction sample(uint64_t* seed) const override;
+  //! \return (sampled direction, sample weight)
+  std::pair<Direction, double> sample(uint64_t* seed) const override;
+
+  // Set or get bias distribution
+  void set_bias(std::unique_ptr<PolarAzimuthal> bias)
+  {
+    bias_ = std::move(bias);
+  }
+
+  const PolarAzimuthal* bias() const { return bias_.get(); }
+
+protected:
+  // Biasing distribution
+  unique_ptr<PolarAzimuthal> bias_;
 };
 
 //==============================================================================
@@ -85,8 +112,8 @@ public:
 
   //! Sample a direction from the distribution
   //! \param seed Pseudorandom number seed pointer
-  //! \return Sampled direction
-  Direction sample(uint64_t* seed) const override;
+  //! \return (sampled direction, sample weight)
+  std::pair<Direction, double> sample(uint64_t* seed) const override;
 };
 
 using UPtrAngle = unique_ptr<UnitSphereDistribution>;
diff --git a/include/openmc/distribution_spatial.h b/include/openmc/distribution_spatial.h
index 9c3bc743f..26f106fca 100644
--- a/include/openmc/distribution_spatial.h
+++ b/include/openmc/distribution_spatial.h
@@ -19,7 +19,9 @@ public:
   virtual ~SpatialDistribution() = default;
 
   //! Sample a position from the distribution
-  virtual Position sample(uint64_t* seed) const = 0;
+  //! \param seed Pseudorandom number seed pointer
+  //! \return Sampled (position, importance weight)
+  virtual std::pair<Position, double> sample(uint64_t* seed) const = 0;
 
   static unique_ptr<SpatialDistribution> create(pugi::xml_node node);
 };
@@ -34,8 +36,8 @@ public:
 
   //! Sample a position from the distribution
   //! \param seed Pseudorandom number seed pointer
-  //! \return Sampled position
-  Position sample(uint64_t* seed) const override;
+  //! \return Sampled (position, importance weight)
+  std::pair<Position, double> sample(uint64_t* seed) const override;
 
   // Observer pointers
   Distribution* x() const { return x_.get(); }
@@ -58,8 +60,8 @@ public:
 
   //! Sample a position from the distribution
   //! \param seed Pseudorandom number seed pointer
-  //! \return Sampled position
-  Position sample(uint64_t* seed) const override;
+  //! \return Sampled (position, importance weight)
+  std::pair<Position, double> sample(uint64_t* seed) const override;
 
   Distribution* r() const { return r_.get(); }
   Distribution* phi() const { return phi_.get(); }
@@ -83,8 +85,8 @@ public:
 
   //! Sample a position from the distribution
   //! \param seed Pseudorandom number seed pointer
-  //! \return Sampled position
-  Position sample(uint64_t* seed) const override;
+  //! \return Sampled (position, importance weight)
+  std::pair<Position, double> sample(uint64_t* seed) const override;
 
   Distribution* r() const { return r_.get(); }
   Distribution* cos_theta() const { return cos_theta_.get(); }
@@ -109,8 +111,8 @@ public:
 
   //! Sample a position from the distribution
   //! \param seed Pseudorandom number seed pointer
-  //! \return Sampled position
-  Position sample(uint64_t* seed) const override;
+  //! \return Sampled (position, importance weight)
+  std::pair<Position, double> sample(uint64_t* seed) const override;
 
   //! Sample the mesh for an element and position within that element
   //! \param seed Pseudorandom number seed pointer
@@ -133,8 +135,8 @@ public:
 
 private:
   int32_t mesh_idx_ {C_NONE};
-  DiscreteIndex elem_idx_dist_; //!< Distribution of
-                                //!< mesh element indices
+  DiscreteIndex elem_idx_dist_; //!< Distribution of mesh element indices
+  vector<double> weight_;       //!< Importance weights (empty if unbiased)
 };
 
 //==============================================================================
@@ -149,12 +151,13 @@ public:
 
   //! Sample a position from the distribution
   //! \param seed Pseudorandom number seed pointer
-  //! \return Sampled position
-  Position sample(uint64_t* seed) const override;
+  //! \return Sampled (position, importance weight)
+  std::pair<Position, double> sample(uint64_t* seed) const override;
 
 private:
   std::vector<Position> point_cloud_;
   DiscreteIndex point_idx_dist_; //!< Distribution of Position indices
+  vector<double> weight_;        //!< Importance weights (empty if unbiased)
 };
 
 //==============================================================================
@@ -167,8 +170,8 @@ public:
 
   //! Sample a position from the distribution
   //! \param seed Pseudorandom number seed pointer
-  //! \return Sampled position
-  Position sample(uint64_t* seed) const override;
+  //! \return Sampled (position, importance weight)
+  std::pair<Position, double> sample(uint64_t* seed) const override;
 
   // Properties
   bool only_fissionable() const { return only_fissionable_; }
@@ -193,8 +196,8 @@ public:
 
   //! Sample a position from the distribution
   //! \param seed Pseudorandom number seed pointer
-  //! \return Sampled position
-  Position sample(uint64_t* seed) const override;
+  //! \return Sampled (position, importance weight)
+  std::pair<Position, double> sample(uint64_t* seed) const override;
 
   Position r() const { return r_; }
 
diff --git a/include/openmc/source.h b/include/openmc/source.h
index 1fbd31904..36c821fc0 100644
--- a/include/openmc/source.h
+++ b/include/openmc/source.h
@@ -217,8 +217,8 @@ public:
 
   //! Sample a position from the distribution
   //! \param seed Pseudorandom number seed pointer
-  //! \return Sampled position
-  Position sample(uint64_t* seed) const override;
+  //! \return (sampled position, importance weight)
+  std::pair<Position, double> sample(uint64_t* seed) const override;
 
 private:
   int32_t mesh_index_ {C_NONE}; //!< Index in global meshes array
diff --git a/openmc/filter.py b/openmc/filter.py
index 39844798d..e7c54f2f0 100644
--- a/openmc/filter.py
+++ b/openmc/filter.py
@@ -815,7 +815,7 @@ class ParentNuclideFilter(ParticleFilter):
 
 
 class MeshFilter(Filter):
-    """Bins tally event locations by mesh elements.
+    r"""Bins tally event locations by mesh elements.
 
     Parameters
     ----------
diff --git a/openmc/settings.py b/openmc/settings.py
index 76e191c5e..a022b045f 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -10,7 +10,7 @@ import warnings
 import openmc
 import openmc.checkvalue as cv
 from openmc.checkvalue import PathLike
-from openmc.stats.multivariate import MeshSpatial
+from openmc.stats.multivariate import MeshSpatial, Box, PolarAzimuthal, Isotropic
 from ._xml import clean_indentation, get_elem_list, get_text
 from .mesh import _read_meshes, RegularMesh, MeshBase
 from .source import SourceBase, MeshSource, IndependentSource
@@ -1877,7 +1877,11 @@ class Settings:
             for key, value in self._random_ray.items():
                 if key == 'ray_source' and isinstance(value, SourceBase):
                     source_element = value.to_xml_element()
+                    if source_element.find('bias') is not None:
+                        raise RuntimeError(
+                            "Ray source distributions should not be biased.")
                     element.append(source_element)
+
                 elif key == 'source_region_meshes':
                     subelement = ET.SubElement(element, 'source_region_meshes')
                     for mesh, domains in value:
@@ -2324,6 +2328,9 @@ class Settings:
                     self.random_ray[child.tag] = float(child.text)
                 elif child.tag == 'source':
                     source = SourceBase.from_xml_element(child)
+                    if child.find('bias') is not None:
+                        raise RuntimeError(
+                            "Ray source distributions should not be biased.")
                     self.random_ray['ray_source'] = source
                 elif child.tag == 'volume_estimator':
                     self.random_ray['volume_estimator'] = child.text
diff --git a/openmc/stats/multivariate.py b/openmc/stats/multivariate.py
index 1ce998758..2057f4a49 100644
--- a/openmc/stats/multivariate.py
+++ b/openmc/stats/multivariate.py
@@ -81,7 +81,7 @@ class PolarAzimuthal(UnitSphere):
         z-direction.
     reference_vwu : Iterable of float
         Direction from which azimuthal angle is measured. Defaults to the positive
-        x-direction.    
+        x-direction.
 
     Attributes
     ----------
@@ -104,7 +104,7 @@ class PolarAzimuthal(UnitSphere):
             self.phi = phi
         else:
             self.phi = Uniform(0., 2*pi)
-            
+
     @property
     def reference_vwu(self):
         return self._reference_vwu
@@ -114,8 +114,8 @@ class PolarAzimuthal(UnitSphere):
         cv.check_type('reference v direction', vwu, Iterable, Real)
         vwu = np.asarray(vwu)
         uvw = self.reference_uvw
-        cv.check_greater_than('reference v direction must not be parallel to reference u direction', np.linalg.norm(np.cross(vwu,uvw)), 1e-6*np.linalg.norm(vwu))        
-        vwu -= vwu.dot(uvw)*uvw        
+        cv.check_greater_than('reference v direction must not be parallel to reference u direction', np.linalg.norm(np.cross(vwu,uvw)), 1e-6*np.linalg.norm(vwu))
+        vwu -= vwu.dot(uvw)*uvw
         cv.check_less_than('reference v direction must be orthogonal to reference u direction', np.abs(vwu.dot(uvw)), 1e-6)
         self._reference_vwu = vwu/np.linalg.norm(vwu)
 
@@ -137,21 +137,30 @@ class PolarAzimuthal(UnitSphere):
         cv.check_type('azimuthal angle', phi, Univariate)
         self._phi = phi
 
-    def to_xml_element(self):
+    def to_xml_element(self, element_name: str = None):
         """Return XML representation of the angular distribution
 
+        Parameters
+        ----------
+        element_name : str, optional
+            XML element name
+
         Returns
         -------
         element : lxml.etree._Element
             XML element containing angular distribution data
 
         """
-        element = ET.Element('angle')
+        if element_name is not None:
+            element = ET.Element(element_name)
+        else:
+            element = ET.Element('angle')
+
         element.set("type", "mu-phi")
         if self.reference_uvw is not None:
             element.set("reference_uvw", ' '.join(map(str, self.reference_uvw)))
         if self.reference_vwu is not None:
-            element.set("reference_vwu", ' '.join(map(str, self.reference_vwu)))    
+            element.set("reference_vwu", ' '.join(map(str, self.reference_vwu)))
         element.append(self.mu.to_xml_element('mu'))
         element.append(self.phi.to_xml_element('phi'))
         return element
@@ -177,17 +186,48 @@ class PolarAzimuthal(UnitSphere):
             mu_phi.reference_uvw = uvw
         vwu = get_elem_list(elem, "reference_vwu", float)
         if vwu is not None:
-            mu_phi.reference_vwu = vwu            
+            mu_phi.reference_vwu = vwu
         mu_phi.mu = Univariate.from_xml_element(elem.find('mu'))
         mu_phi.phi = Univariate.from_xml_element(elem.find('phi'))
         return mu_phi
 
 
 class Isotropic(UnitSphere):
-    """Isotropic angular distribution."""
+    """Isotropic angular distribution.
 
-    def __init__(self):
+    Parameters
+    ----------
+    bias : openmc.stats.PolarAzimuthal, optional
+        Distribution for biased sampling.
+
+    Attributes
+    ----------
+    bias : openmc.stats.PolarAzimuthal or None
+        Distribution for biased sampling
+
+    """
+
+    def __init__(self, bias: PolarAzimuthal | None = None):
         super().__init__()
+        self.bias = bias
+
+    @property
+    def bias(self):
+        return self._bias
+
+    @bias.setter
+    def bias(self, bias):
+        cv.check_type('Biasing distribution', bias, PolarAzimuthal, none_ok=True)
+        if bias is not None:
+            if (bias.mu.bias is not None) or (bias.phi.bias is not None):
+                raise RuntimeError('Biasing distributions should not have their own bias.')
+            elif (bias.mu.support != (-1., 1.)
+                or not np.all(np.isclose(bias.phi.support, (0., 2*np.pi)))):
+                raise ValueError("Biasing distribution for an isotropic "
+                                 "distribution should be supported on "
+                                 "mu=(-1.0,1.0) and phi=(0.0,2*pi).")
+
+        self._bias = bias
 
     def to_xml_element(self):
         """Return XML representation of the isotropic distribution
@@ -200,6 +240,15 @@ class Isotropic(UnitSphere):
         """
         element = ET.Element('angle')
         element.set("type", "isotropic")
+
+        if self.bias is not None:
+            bias_dist = self.bias
+            if (bias_dist.mu.bias is not None) or (bias_dist.phi.bias is not None):
+                raise RuntimeError('Biasing distributions should not have their own bias!')
+            else:
+                bias_elem = self.bias.to_xml_element("bias")
+                element.append(bias_elem)
+
         return element
 
     @classmethod
@@ -217,7 +266,13 @@ class Isotropic(UnitSphere):
             Isotropic distribution generated from XML element
 
         """
-        return cls()
+        bias_elem = elem.find('bias')
+        if bias_elem is not None:
+            bias_dist = PolarAzimuthal.from_xml_element(bias_elem)
+            return cls(bias=bias_dist)
+        else:
+            return cls()
+
 
 
 class Monodirectional(UnitSphere):
@@ -672,6 +727,9 @@ class MeshSpatial(Spatial):
     volume_normalized : bool, optional
         Whether or not the strengths will be multiplied by element volumes at
         runtime. Default is True.
+    bias : iterable of float, optional
+        An iterable of values giving the selection weights assigned to each
+        element during biased sampling.
 
     Attributes
     ----------
@@ -682,12 +740,16 @@ class MeshSpatial(Spatial):
     volume_normalized : bool
         Whether or not the strengths will be multiplied by element volumes at
         runtime.
+    bias : numpy.ndarray or None
+        Distribution for biased sampling
     """
 
-    def __init__(self, mesh, strengths=None, volume_normalized=True):
+    def __init__(self, mesh, strengths=None, volume_normalized=True,
+                 bias: Sequence[float] | None = None):
         self.mesh = mesh
         self.strengths = strengths
         self.volume_normalized = volume_normalized
+        self.bias = bias
 
     @property
     def mesh(self):
@@ -720,6 +782,23 @@ class MeshSpatial(Spatial):
         else:
             self._strengths = None
 
+    @property
+    def bias(self):
+        return self._bias
+
+    @bias.setter
+    def bias(self, given_bias):
+        if given_bias is not None:
+            cv.check_type('Biasing strengths array', given_bias, Iterable, Real)
+            bias_array = np.asarray(given_bias, dtype=float).flatten()
+            if bias_array.size != self.strengths.size:
+                raise ValueError(
+                    'Bias strengths array must have same size as strengths array.')
+            else:
+                self._bias = bias_array
+        else:
+            self._bias = None
+
     @property
     def num_strength_bins(self):
         if self.strengths is None:
@@ -745,6 +824,9 @@ class MeshSpatial(Spatial):
             subelement = ET.SubElement(element, 'strengths')
             subelement.text = ' '.join(str(e) for e in self.strengths)
 
+        if self.bias is not None:
+            Univariate._append_array_bias_to_xml(self, element)
+
         return element
 
     @classmethod
@@ -774,7 +856,8 @@ class MeshSpatial(Spatial):
 
         volume_normalized = get_text(elem, 'volume_normalized').lower() == 'true'
         strengths = get_elem_list(elem, 'strengths', float)
-        return cls(meshes[mesh_id], strengths, volume_normalized)
+        bias_strengths = Univariate._read_array_bias_from_xml(elem)
+        return cls(meshes[mesh_id], strengths, volume_normalized, bias=bias_strengths)
 
 
 class PointCloud(Spatial):
@@ -792,6 +875,9 @@ class PointCloud(Spatial):
     strengths : iterable of float, optional
         An iterable of values that represents the relative probabilty of each
         point.
+    bias : iterable of float, optional
+        An iterable of values representing the relative probability of each
+        point under biased sampling.
 
     Attributes
     ----------
@@ -799,15 +885,19 @@ class PointCloud(Spatial):
         The points in space to be sampled with shape (N, 3)
     strengths : numpy.ndarray or None
         An array of relative probabilities for each mesh point
+    bias : numpy.ndarray or None
+        An array of relative probabilities for biased sampling of mesh points
     """
 
     def __init__(
         self,
         positions: Sequence[Sequence[float]],
-        strengths: Sequence[float] | None = None
+        strengths: Sequence[float] | None = None,
+        bias: Sequence[float] | None = None
     ):
         self.positions = positions
         self.strengths = strengths
+        self.bias = bias
 
     @property
     def positions(self) -> np.ndarray:
@@ -836,6 +926,23 @@ class PointCloud(Spatial):
                 raise ValueError('strengths must have the same length as positions')
         self._strengths = strengths
 
+    @property
+    def bias(self):
+        return self._bias
+
+    @bias.setter
+    def bias(self, given_bias):
+        if given_bias is not None:
+            cv.check_type('Biasing strengths array', given_bias, Iterable, Real)
+            bias_array = np.asarray(given_bias, dtype=float).flatten()
+            if bias_array.size != self.strengths.size:
+                raise ValueError(
+                    'Bias strengths array must have same size as strengths array.')
+            else:
+                self._bias = bias_array
+        else:
+            self._bias = None
+
     @property
     def num_strength_bins(self) -> int:
         if self.strengths is None:
@@ -861,6 +968,9 @@ class PointCloud(Spatial):
             subelement = ET.SubElement(element, 'strengths')
             subelement.text = ' '.join(str(e) for e in self.strengths)
 
+        if self.bias is not None:
+            Univariate._append_array_bias_to_xml(self, element)
+
         return element
 
     @classmethod
@@ -883,8 +993,8 @@ class PointCloud(Spatial):
         positions = np.array(coord_data).reshape((-1, 3))
 
         strengths = get_elem_list(elem, 'strengths', float)
-
-        return cls(positions, strengths)
+        bias_strengths = Univariate._read_array_bias_from_xml(elem)
+        return cls(positions, strengths, bias=bias_strengths)
 
 
 class Box(Spatial):
diff --git a/openmc/stats/univariate.py b/openmc/stats/univariate.py
index c48cc0075..272367f6f 100644
--- a/openmc/stats/univariate.py
+++ b/openmc/stats/univariate.py
@@ -1,15 +1,16 @@
 from __future__ import annotations
-import math
 from abc import ABC, abstractmethod
 from collections import defaultdict
 from collections.abc import Iterable, Sequence
 from copy import deepcopy
+from math import sqrt, pi, exp
 from numbers import Real
 from warnings import warn
 
 import lxml.etree as ET
 import numpy as np
 from scipy.integrate import trapezoid
+import scipy
 
 import openmc.checkvalue as cv
 from .._xml import get_elem_list, get_text
@@ -30,7 +31,55 @@ class Univariate(EqualityMixin, ABC):
     The Univariate class is an abstract class that can be derived to implement a
     specific probability distribution.
 
+    Parameters
+    ----------
+    bias : Iterable of float, optional
+        Distribution or discrete probabilities for biased sampling or discrete
+        probabilities for biased sampling.
+
     """
+    def __init__(self, bias: Univariate | Sequence[float] | None = None):
+        self.bias = bias
+
+    @property
+    def bias(self):
+        return self._bias
+
+    @bias.setter
+    def bias(self, bias):
+        check_bias_support(self, bias)
+        self._bias = bias
+
+    def _append_bias_to_xml(self, element: ET.Element) -> None:
+        """Append bias distribution element to XML if present."""
+        if self.bias is not None:
+            if self.bias.bias is not None:
+                raise RuntimeError('Biasing distributions should not have their own bias.')
+            bias_elem = self.bias.to_xml_element("bias")
+            element.append(bias_elem)
+
+    @classmethod
+    def _read_bias_from_xml(cls, elem: ET.Element):
+        """Read bias distribution from XML element if present."""
+        bias_elem = elem.find('bias')
+        if bias_elem is not None:
+            return Univariate.from_xml_element(bias_elem)
+        return None
+
+    def _append_array_bias_to_xml(self, element: ET.Element) -> None:
+        """Append array-based bias probabilities to XML."""
+        if self.bias is not None:
+            bias_elem = ET.SubElement(element, "bias")
+            bias_elem.text = ' '.join(map(str, self.bias))
+
+    @classmethod
+    def _read_array_bias_from_xml(cls, elem: ET.Element):
+        """Read array-based bias probabilities from XML."""
+        bias_elem = elem.find('bias')
+        if bias_elem is not None:
+            return get_elem_list(elem, "bias", float)
+        return None
+
     @abstractmethod
     def to_xml_element(self, element_name):
         return ''
@@ -66,8 +115,8 @@ class Univariate(EqualityMixin, ABC):
             return Mixture.from_xml_element(elem)
 
     @abstractmethod
-    def sample(n_samples: int = 1, seed: int | None = None):
-        """Sample the univariate distribution
+    def _sample_unbiased(self, n_samples: int = 1, seed: int | None = None):
+        """Sample without bias handling.
 
         Parameters
         ----------
@@ -79,10 +128,35 @@ class Univariate(EqualityMixin, ABC):
         Returns
         -------
         numpy.ndarray
-            A 1-D array of sampled values
+            The array of sampled values
         """
         pass
 
+    def sample(self, n_samples: int = 1, seed: int | None = None):
+        """Sample the univariate distribution, handling biasing automatically.
+
+        Parameters
+        ----------
+        n_samples : int
+            Number of sampled values to generate
+        seed : int or None
+            Initial random number seed.
+
+        Returns
+        -------
+        tuple of numpy.ndarray
+            A tuple of (samples, weights)
+        """
+        if self.bias is None:
+            x = self._sample_unbiased(n_samples, seed)
+            return x, np.ones_like(x)
+        else:
+            if self.bias.bias is not None:
+                raise RuntimeError('Biasing distributions should not have their own bias.')
+            x, _ = self.bias.sample(n_samples=n_samples, seed=seed)
+            weight = self.evaluate(x) / self.bias.evaluate(x)
+            return x, weight
+
     def integral(self):
         """Return integral of distribution
 
@@ -95,6 +169,36 @@ class Univariate(EqualityMixin, ABC):
         """
         return 1.0
 
+    @abstractmethod
+    def evaluate(self, x: float | Sequence[float]):
+        """Evaluate the probability density at the provided value.
+
+        Parameters
+        ----------
+        x : float or sequence of float
+            Location to evaluate p(x)
+
+        Returns
+        -------
+        float or numpy.ndarray
+            Value of p(x)
+        """
+        pass
+
+    @property
+    @abstractmethod
+    def support(self):
+        """Return the support of the probability distribution.
+
+        Returns
+        -------
+        set or tuple of float or dict
+            Returns the set of unique points assigned probability mass in a
+            discrete distribution, the sampling interval for a continuous
+            distribution, or a dictionary storing the discrete and continuous
+            parts of the support of a mixed random variable
+        """
+        pass
 
 def _intensity_clip(intensity: Sequence[float], tolerance: float = 1e-6) -> np.ndarray:
     """Clip low-importance points from an array of intensities.
@@ -148,6 +252,9 @@ class Discrete(Univariate):
         Values of the random variable
     p : Iterable of float
         Discrete probability for each value
+    bias : Iterable of float, optional
+        Alternative discrete probabilities for biased sampling. Defaults to
+        None for unbiased sampling.
 
     Attributes
     ----------
@@ -155,12 +262,18 @@ class Discrete(Univariate):
         Values of the random variable
     p : numpy.ndarray
         Discrete probability for each value
+    support : set
+        Values of the random variable over which the distribution is
+        nonzero-valued
+    bias : numpy.ndarray or None
+        Discrete probabilities for biased sampling
 
     """
 
-    def __init__(self, x, p):
+    def __init__(self, x, p, bias=None):
         self.x = x
         self.p = p
+        super().__init__(bias)
 
     def __len__(self):
         return len(self.x)
@@ -189,10 +302,42 @@ class Discrete(Univariate):
             cv.check_greater_than('discrete probability', pk, 0.0, True)
         self._p = np.array(p, dtype=float)
 
+    @property
+    def support(self):
+        return set(np.unique(self._x))
+
+    @Univariate.bias.setter
+    def bias(self, bias):
+        if bias is None:
+            self._bias = bias
+        else:
+            if isinstance(bias, Real):
+                bias = [bias]
+            cv.check_type('discrete bias probabilities', bias, Iterable, Real)
+            for bk in bias:
+                cv.check_greater_than('discrete probability', bk, 0.0, True)
+            if len(bias) != len(self.x):
+                raise RuntimeError("Discrete distribution has unequal number of "
+                                   "biased and unbiased probability entries.")
+            self._bias = np.array(bias, dtype=float)
+
     def cdf(self):
         return np.insert(np.cumsum(self.p), 0, 0.0)
 
     def sample(self, n_samples=1, seed=None):
+        if self.bias is None:
+            samples = self._sample_unbiased(n_samples, seed)
+            return samples, np.ones_like(samples)
+        else:
+            rng = np.random.RandomState(seed)
+            p = self.p / self.p.sum()
+            b = self.bias / self.bias.sum()
+            indices = rng.choice(self.x.size, n_samples, p=b)
+            biased_sample = self.x[indices]
+            wgt = p[indices] / b[indices]
+            return biased_sample, wgt
+
+    def _sample_unbiased(self, n_samples=1, seed=None):
         rng = np.random.RandomState(seed)
         p = self.p / self.p.sum()
         return rng.choice(self.x, n_samples, p=p)
@@ -202,6 +347,9 @@ class Discrete(Univariate):
         norm = sum(self.p)
         self.p = [val / norm for val in self.p]
 
+    def evaluate(self, x):
+        raise NotImplementedError
+
     def to_xml_element(self, element_name):
         """Return XML representation of the discrete distribution
 
@@ -221,7 +369,7 @@ class Discrete(Univariate):
 
         params = ET.SubElement(element, "parameters")
         params.text = ' '.join(map(str, self.x)) + ' ' + ' '.join(map(str, self.p))
-
+        self._append_array_bias_to_xml(element)
         return element
 
     @classmethod
@@ -242,7 +390,8 @@ class Discrete(Univariate):
         params = get_elem_list(elem, "parameters", float)
         x = params[:len(params)//2]
         p = params[len(params)//2:]
-        return cls(x, p)
+        bias_dist = cls._read_array_bias_from_xml(elem)
+        return cls(x, p, bias=bias_dist)
 
     @classmethod
     def merge(
@@ -270,18 +419,52 @@ class Discrete(Univariate):
         if len(dists) != len(probs):
             raise ValueError("Number of distributions and probabilities must match.")
 
+        biasing = False
+        for d in dists:
+            if d.bias is not None:
+                # If we find that at least one distribution is biased, all
+                # distributions which are not biased will be assigned their
+                # default probability vector as a "bias" so that biased
+                # sampling can occur on the merged distribution.
+                biasing = True
+                break
+
         # Combine distributions accounting for duplicate x values
         x_merged = set()
         p_merged = defaultdict(float)
-        for dist, p_dist in zip(dists, probs):
-            for x, p in zip(dist.x, dist.p):
-                x_merged.add(x)
-                p_merged[x] += p*p_dist
+        new_bias = None
 
-        # Create values and probabilities as arrays
-        x_arr = np.array(sorted(x_merged))
+        if biasing:
+            b_merged = defaultdict(float)
+
+            # Generate any missing bias distributions
+            dists = dists.copy()
+            for i, d in enumerate(dists):
+                if d.bias is None:
+                    dists[i] = Discrete(d.x, d.p, bias=d.p)
+
+            for dist, p_dist in zip(dists, probs):
+                for x, p, b in zip(dist.x, dist.p, dist.bias):
+                    x_merged.add(x)
+                    p_merged[x] += p*p_dist
+                    b_merged[x] += b*p_dist
+
+            # Create values and bias probabilities as arrays
+            x_arr = np.array(sorted(x_merged))
+            new_bias = np.array([b_merged[x] for x in x_arr])
+
+        else:
+            for dist, p_dist in zip(dists, probs):
+                for x, p in zip(dist.x, dist.p):
+                    x_merged.add(x)
+                    p_merged[x] += p*p_dist
+
+            # Create values as array
+            x_arr = np.array(sorted(x_merged))
+
+        # Create probabilities as array
         p_arr = np.array([p_merged[x] for x in x_arr])
-        return cls(x_arr, p_arr)
+        return cls(x_arr, p_arr, new_bias)
 
     def integral(self):
         """Return integral of distribution
@@ -318,6 +501,9 @@ class Discrete(Univariate):
         function will remove any low-importance points such that :math:`\sum_i
         x_i p_i` is preserved to within some threshold.
 
+        For biased distributions, clipping should be performed before the bias
+        probabilities are added.
+
         .. versionadded:: 0.14.0
 
         Parameters
@@ -332,6 +518,10 @@ class Discrete(Univariate):
         Discrete distribution with low-importance points removed
 
         """
+        if self.bias is not None:
+            raise RuntimeError("Biased discrete distributions should be clipped "
+                               "before applying bias.")
+
         cv.check_less_than("tolerance", tolerance, 1.0, equality=True)
         cv.check_greater_than("tolerance", tolerance, 0.0, equality=True)
 
@@ -382,6 +572,8 @@ class Uniform(Univariate):
         Lower bound of the sampling interval. Defaults to zero.
     b : float, optional
         Upper bound of the sampling interval. Defaults to unity.
+    bias : openmc.stats.Univariate, optional
+        Distribution for biased sampling.
 
     Attributes
     ----------
@@ -389,12 +581,19 @@ class Uniform(Univariate):
         Lower bound of the sampling interval
     b : float
         Upper bound of the sampling interval
+    support : tuple of float
+        A 2-tuple (lower, upper) defining the interval over which the
+        distribution is nonzero-valued
+    bias : openmc.stats.Univariate or None
+        Distribution for biased sampling
 
     """
 
-    def __init__(self, a: float = 0.0, b: float = 1.0):
+    def __init__(self, a: float = 0.0, b: float = 1.0,
+                 bias: Univariate | None = None):
         self.a = a
         self.b = b
+        super().__init__(bias)
 
     def __len__(self):
         return 2
@@ -417,16 +616,25 @@ class Uniform(Univariate):
         cv.check_type('Uniform b', b, Real)
         self._b = b
 
+    @property
+    def support(self):
+        return (self._a, self._b)
+
     def to_tabular(self):
+        if self.bias is not None:
+            raise RuntimeError("to_tabular() is not permitted for biased distributions.")
         prob = 1./(self.b - self.a)
         t = Tabular([self.a, self.b], [prob, prob], 'histogram')
         t.c = [0., 1.]
         return t
 
-    def sample(self, n_samples=1, seed=None):
+    def _sample_unbiased(self, n_samples=1, seed=None):
         rng = np.random.RandomState(seed)
         return rng.uniform(self.a, self.b, n_samples)
 
+    def evaluate(self, x):
+        return np.where((self.a <= x) & (x <= self.b), 1/(self.b - self.a), 0.0)
+
     def mean(self) -> float:
         """Return mean of the uniform distribution
 
@@ -456,6 +664,7 @@ class Uniform(Univariate):
         element = ET.Element(element_name)
         element.set("type", "uniform")
         element.set("parameters", f'{self.a} {self.b}')
+        self._append_bias_to_xml(element)
         return element
 
     @classmethod
@@ -474,7 +683,8 @@ class Uniform(Univariate):
 
         """
         params = get_elem_list(elem, "parameters", float)
-        return cls(*params)
+        bias_dist = cls._read_bias_from_xml(elem)
+        return cls(*params, bias=bias_dist)
 
 
 class PowerLaw(Univariate):
@@ -493,6 +703,8 @@ class PowerLaw(Univariate):
     n : float, optional
         Power law exponent. Defaults to zero, which is equivalent to a uniform
         distribution.
+    bias : openmc.stats.Univariate, optional
+        Distribution for biased sampling.
 
     Attributes
     ----------
@@ -502,16 +714,23 @@ class PowerLaw(Univariate):
         Upper bound of the sampling interval
     n : float
         Power law exponent
+    support : tuple of float
+        A 2-tuple (lower, upper) defining the interval over which the
+        distribution is nonzero-valued
+    bias : openmc.stats.Univariate or None
+        Distribution for biased sampling
 
     """
 
-    def __init__(self, a: float = 0.0, b: float = 1.0, n: float = 0.):
+    def __init__(self, a: float = 0.0, b: float = 1.0, n: float = 0.,
+                 bias: Univariate | None = None):
         if a >= b:
             raise ValueError(
                 "Lower bound of sampling interval must be less than upper bound.")
         self.a = a
         self.b = b
         self.n = n
+        super().__init__(bias)
 
     def __len__(self):
         return 3
@@ -549,7 +768,11 @@ class PowerLaw(Univariate):
         cv.check_type('power law exponent', n, Real)
         self._n = n
 
-    def sample(self, n_samples=1, seed=None):
+    @property
+    def support(self):
+        return (self._a, self._b)
+
+    def _sample_unbiased(self, n_samples=1, seed=None):
         rng = np.random.RandomState(seed)
         xi = rng.random(n_samples)
         pwr = self.n + 1
@@ -557,6 +780,10 @@ class PowerLaw(Univariate):
         span = self.b**pwr - offset
         return np.power(offset + xi * span, 1/pwr)
 
+    def evaluate(self, x):
+        c = (self.n + 1)/(self.b**(self.n + 1) - self.a**(self.n + 1))
+        return np.where((self.a <= x) & (x <= self.b), c * np.abs(x)**self.n, 0.0)
+
     def to_xml_element(self, element_name: str):
         """Return XML representation of the power law distribution
 
@@ -574,6 +801,7 @@ class PowerLaw(Univariate):
         element = ET.Element(element_name)
         element.set("type", "powerlaw")
         element.set("parameters", f'{self.a} {self.b} {self.n}')
+        self._append_bias_to_xml(element)
         return element
 
     @classmethod
@@ -592,7 +820,8 @@ class PowerLaw(Univariate):
 
         """
         params = get_elem_list(elem, "parameters", float)
-        return cls(*params)
+        bias_dist = cls._read_bias_from_xml(elem)
+        return cls(*map(float, params), bias=bias_dist)
 
 
 class Maxwell(Univariate):
@@ -606,16 +835,24 @@ class Maxwell(Univariate):
     ----------
     theta : float
         Effective temperature for distribution in eV
+    bias : openmc.stats.Univariate, optional
+        Distribution for biased sampling.
 
     Attributes
     ----------
     theta : float
         Effective temperature for distribution in eV
+    support : tuple of float
+        A 2-tuple (lower, upper) defining the interval over which the
+        distribution is nonzero-valued
+    bias : openmc.stats.Univariate or None
+        Distribution for biased sampling
 
     """
 
-    def __init__(self, theta):
+    def __init__(self, theta, bias: Univariate | None = None):
         self.theta = theta
+        super().__init__(bias)
 
     def __len__(self):
         return 1
@@ -630,7 +867,11 @@ class Maxwell(Univariate):
         cv.check_greater_than('Maxwell temperature', theta, 0.0)
         self._theta = theta
 
-    def sample(self, n_samples=1, seed=None):
+    @property
+    def support(self):
+        return (0.0, np.inf)
+
+    def _sample_unbiased(self, n_samples=1, seed=None):
         rng = np.random.RandomState(seed)
         return self.sample_maxwell(self.theta, n_samples, rng=rng)
 
@@ -638,9 +879,10 @@ class Maxwell(Univariate):
     def sample_maxwell(t, n_samples: int, rng=None):
         if rng is None:
             rng = np.random.default_rng()
-        r1, r2, r3 = rng.random((3, n_samples))
-        c = np.cos(0.5 * np.pi * r3)
-        return -t * (np.log(r1) + np.log(r2) * c * c)
+        return rng.gamma(1.5, t, n_samples)
+
+    def evaluate(self, E):
+        return scipy.stats.gamma.pdf(E, 1.5, scale=self.theta)
 
     def to_xml_element(self, element_name: str):
         """Return XML representation of the Maxwellian distribution
@@ -659,6 +901,7 @@ class Maxwell(Univariate):
         element = ET.Element(element_name)
         element.set("type", "maxwell")
         element.set("parameters", str(self.theta))
+        self._append_bias_to_xml(element)
         return element
 
     @classmethod
@@ -677,7 +920,8 @@ class Maxwell(Univariate):
 
         """
         theta = float(get_text(elem, 'parameters'))
-        return cls(theta)
+        bias_dist = cls._read_bias_from_xml(elem)
+        return cls(theta, bias=bias_dist)
 
 
 class Watt(Univariate):
@@ -693,6 +937,8 @@ class Watt(Univariate):
         First parameter of distribution in units of eV
     b : float
         Second parameter of distribution in units of 1/eV
+    bias : openmc.stats.Univariate, optional
+        Distribution for biased sampling.
 
     Attributes
     ----------
@@ -700,12 +946,18 @@ class Watt(Univariate):
         First parameter of distribution in units of eV
     b : float
         Second parameter of distribution in units of 1/eV
+    support : tuple of float
+        A 2-tuple (lower, upper) defining the interval over which the
+        distribution is nonzero-valued
+    bias : openmc.stats.Univariate or None
+        Distribution for biased sampling
 
     """
 
-    def __init__(self, a=0.988e6, b=2.249e-6):
+    def __init__(self, a=0.988e6, b=2.249e-6, bias: Univariate | None = None):
         self.a = a
         self.b = b
+        super().__init__(bias)
 
     def __len__(self):
         return 2
@@ -730,13 +982,21 @@ class Watt(Univariate):
         cv.check_greater_than('Watt b', b, 0.0)
         self._b = b
 
-    def sample(self, n_samples=1, seed=None):
+    @property
+    def support(self):
+        return (0.0, np.inf)
+
+    def _sample_unbiased(self, n_samples=1, seed=None):
         rng = np.random.RandomState(seed)
         w = Maxwell.sample_maxwell(self.a, n_samples, rng=rng)
         u = rng.uniform(-1., 1., n_samples)
         aab = self.a * self.a * self.b
         return w + 0.25*aab + u*np.sqrt(aab*w)
 
+    def evaluate(self, E):
+        c = 2.0/(sqrt(pi * self.b) * (self.a**1.5) * exp(self.a*self.b/4))
+        return c*np.exp(-E/self.a)*np.sinh(np.sqrt(self.b*E))
+
     def to_xml_element(self, element_name: str):
         """Return XML representation of the Watt distribution
 
@@ -754,6 +1014,7 @@ class Watt(Univariate):
         element = ET.Element(element_name)
         element.set("type", "watt")
         element.set("parameters", f'{self.a} {self.b}')
+        self._append_bias_to_xml(element)
         return element
 
     @classmethod
@@ -772,7 +1033,8 @@ class Watt(Univariate):
 
         """
         params = get_elem_list(elem, "parameters", float)
-        return cls(*params)
+        bias_dist = cls._read_bias_from_xml(elem)
+        return cls(*map(float, params), bias=bias_dist)
 
 
 class Normal(Univariate):
@@ -788,6 +1050,8 @@ class Normal(Univariate):
         Mean value of the  distribution
     std_dev : float
         Standard deviation of the Normal distribution
+    bias : openmc.stats.Univariate, optional
+        Distribution for biased sampling.
 
     Attributes
     ----------
@@ -795,11 +1059,17 @@ class Normal(Univariate):
         Mean of the Normal distribution
     std_dev : float
         Standard deviation of the Normal distribution
+    support : tuple of float
+        A 2-tuple (lower, upper) defining the interval over which the
+        distribution is nonzero-valued
+    bias : openmc.stats.Univariate or None
+        Distribution for biased sampling
     """
 
-    def __init__(self, mean_value, std_dev):
+    def __init__(self, mean_value, std_dev, bias: Univariate | None = None):
         self.mean_value = mean_value
         self.std_dev = std_dev
+        super().__init__(bias)
 
     def __len__(self):
         return 2
@@ -823,10 +1093,17 @@ class Normal(Univariate):
         cv.check_greater_than('Normal std_dev', std_dev, 0.0)
         self._std_dev = std_dev
 
-    def sample(self, n_samples=1, seed=None):
+    @property
+    def support(self):
+        return (-np.inf, np.inf)
+
+    def _sample_unbiased(self, n_samples=1, seed=None):
         rng = np.random.RandomState(seed)
         return rng.normal(self.mean_value, self.std_dev, n_samples)
 
+    def evaluate(self, x):
+        return scipy.stats.norm.pdf(x, self.mean_value, self.std_dev)
+
     def to_xml_element(self, element_name: str):
         """Return XML representation of the Normal distribution
 
@@ -844,6 +1121,7 @@ class Normal(Univariate):
         element = ET.Element(element_name)
         element.set("type", "normal")
         element.set("parameters", f'{self.mean_value} {self.std_dev}')
+        self._append_bias_to_xml(element)
         return element
 
     @classmethod
@@ -862,10 +1140,11 @@ class Normal(Univariate):
 
         """
         params = get_elem_list(elem, "parameters", float)
-        return cls(*params)
+        bias_dist = cls._read_bias_from_xml(elem)
+        return cls(*map(float, params), bias=bias_dist)
 
 
-def muir(e0: float, m_rat: float, kt: float):
+def muir(e0: float, m_rat: float, kt: float, bias: Univariate | None = None):
     """Generate a Muir energy spectrum
 
     The Muir energy spectrum is a normal distribution, but for convenience
@@ -883,6 +1162,8 @@ def muir(e0: float, m_rat: float, kt: float):
         Ratio of the sum of the masses of the reaction inputs to 1 amu
     kt : float
          Ion temperature for the Muir distribution in [eV]
+    bias : openmc.stats.Univariate, optional
+        Distribution for biased sampling.
 
     Returns
     -------
@@ -891,8 +1172,8 @@ def muir(e0: float, m_rat: float, kt: float):
 
     """
     # https://permalink.lanl.gov/object/tr?what=info:lanl-repo/lareport/LA-05411-MS
-    std_dev = math.sqrt(2 * e0 * kt / m_rat)
-    return Normal(e0, std_dev)
+    std_dev = sqrt(2 * e0 * kt / m_rat)
+    return Normal(e0, std_dev, bias)
 
 
 # Retain deprecated name for the time being
@@ -926,6 +1207,8 @@ class Tabular(Univariate):
         points. Defaults to 'linear-linear'.
     ignore_negative : bool
         Ignore negative probabilities
+    bias : openmc.stats.Univariate, optional
+        Distribution for biased sampling.
 
     Attributes
     ----------
@@ -936,6 +1219,11 @@ class Tabular(Univariate):
     interpolation : {'histogram', 'linear-linear', 'linear-log', 'log-linear', 'log-log'}
         Indicates how the density function is interpolated between tabulated
         points. Defaults to 'linear-linear'.
+    support : tuple of float
+        A 2-tuple (lower, upper) defining the interval over which the
+        distribution is nonzero-valued
+    bias : openmc.stats.Univariate or None
+        Distribution for biased sampling
 
     Notes
     -----
@@ -953,7 +1241,8 @@ class Tabular(Univariate):
             x: Sequence[float],
             p: Sequence[float],
             interpolation: str = 'linear-linear',
-            ignore_negative: bool = False
+            ignore_negative: bool = False,
+            bias: Univariate | None = None
         ):
         self.interpolation = interpolation
 
@@ -975,6 +1264,7 @@ class Tabular(Univariate):
 
         self._x = x
         self._p = p
+        super().__init__(bias)
 
     def __len__(self):
         return self.p.size
@@ -996,6 +1286,10 @@ class Tabular(Univariate):
         cv.check_value('interpolation', interpolation, _INTERPOLATION_SCHEMES)
         self._interpolation = interpolation
 
+    @property
+    def support(self):
+        return (self._x[0], self._x[-1])
+
     def cdf(self):
         c = np.zeros_like(self.x)
         x = self.x
@@ -1049,7 +1343,7 @@ class Tabular(Univariate):
         """Normalize the probabilities stored on the distribution"""
         self._p /= self.cdf().max()
 
-    def sample(self, n_samples: int = 1, seed: int | None = None):
+    def _sample_unbiased(self, n_samples: int = 1, seed: int | None = None):
         rng = np.random.RandomState(seed)
         xi = rng.random(n_samples)
 
@@ -1110,6 +1404,39 @@ class Tabular(Univariate):
         assert all(samples_out < self.x[-1])
         return samples_out
 
+    def sample(self, n_samples: int = 1, seed: int | None = None):
+        if self.bias is None:
+            samples = self._sample_unbiased(n_samples, seed)
+            return samples, np.ones_like(samples)
+        else:
+            if self.bias.bias is not None:
+                raise RuntimeError('Biasing distributions should not have their own bias.')
+            biased_sample, _ = self.bias.sample(n_samples=n_samples, seed=seed)
+            self.normalize()  # must have normalized probabilities to apply correct weights
+            wgt = np.array([self.evaluate(s) / self.bias.evaluate(s) for s in biased_sample])
+            return biased_sample, wgt
+
+    def evaluate(self, x):
+        if self.interpolation == 'linear-linear':
+            i = np.searchsorted(self.x, x, side='left') - 1
+            if i < 0 or i >= len(self.p) - 1:
+                return 0.0
+            x0, x1 = self.x[i], self.x[i + 1]
+            p0, p1 = self.p[i], self.p[i + 1]
+            t = (x - x0) / (x1 - x0)
+            return (1 - t) * p0 + t * p1
+
+        elif self.interpolation == 'histogram':
+            i = np.searchsorted(self.x, x, side='right') - 1
+            if i < 0 or i >= len(self.p):
+                return 0.0
+            return self.p[i]
+
+        else:
+            raise NotImplementedError('Can only evaluate tabular '
+                                      'distributions using histogram '
+                                      'or linear-linear interpolation.')
+
     def to_xml_element(self, element_name: str):
         """Return XML representation of the tabular distribution
 
@@ -1130,7 +1457,7 @@ class Tabular(Univariate):
 
         params = ET.SubElement(element, "parameters")
         params.text = ' '.join(map(str, self.x)) + ' ' + ' '.join(map(str, self.p))
-
+        self._append_bias_to_xml(element)
         return element
 
     @classmethod
@@ -1153,7 +1480,8 @@ class Tabular(Univariate):
         m = (len(params) + 1)//2  # +1 for when len(params) is odd
         x = params[:m]
         p = params[m:]
-        return cls(x, p, interpolation)
+        bias_dist = cls._read_bias_from_xml(elem)
+        return cls(x, p, interpolation, bias=bias_dist)
 
     def integral(self):
         """Return integral of distribution
@@ -1183,16 +1511,24 @@ class Legendre(Univariate):
     coefficients : Iterable of Real
         Expansion coefficients :math:`a_\ell`. Note that the :math:`(2\ell +
         1)/2` factor should not be included.
+    bias : openmc.stats.Univariate or None, optional
+        Distribution for biased sampling.
 
     Attributes
     ----------
     coefficients : Iterable of Real
         Expansion coefficients :math:`a_\ell`. Note that the :math:`(2\ell +
         1)/2` factor should not be included.
+    support : tuple of float
+        A 2-tuple (lower, upper) defining the interval over which the
+        distribution is nonzero-valued
+    bias : openmc.stats.Univariate or None
+        Distribution for biased sampling
 
     """
 
-    def __init__(self, coefficients: Sequence[float]):
+    def __init__(self, coefficients: Sequence[float], bias: Univariate | None = None):
+        super().__init__(bias)
         self.coefficients = coefficients
         self._legendre_poly = None
 
@@ -1216,9 +1552,19 @@ class Legendre(Univariate):
     def coefficients(self, coefficients):
         self._coefficients = np.asarray(coefficients)
 
+    @property
+    def support(self):
+        raise NotImplementedError
+
+    def _sample_unbiased(self, n_samples=1, seed=None):
+        raise NotImplementedError
+
     def sample(self, n_samples=1, seed=None):
         raise NotImplementedError
 
+    def evaluate(self, x):
+        raise NotImplementedError
+
     def to_xml_element(self, element_name):
         raise NotImplementedError
 
@@ -1236,6 +1582,9 @@ class Mixture(Univariate):
         Probability of selecting a particular distribution
     distribution : Iterable of Univariate
         List of distributions with corresponding probabilities
+    bias : Iterable of Real, optional
+        Probability of selecting a particular distribution under biased
+        sampling
 
     Attributes
     ----------
@@ -1243,14 +1592,20 @@ class Mixture(Univariate):
         Probability of selecting a particular distribution
     distribution : Iterable of Univariate
         List of distributions with corresponding probabilities
+    support : dict
+        Dictionary containing discrete and continuous parts of the support
+    bias : numpy.ndarray or None
+        Probability of selecting each distribution under biased sampling
 
     """
 
     def __init__(
         self,
         probability: Sequence[float],
-        distribution: Sequence[Univariate]
+        distribution: Sequence[Univariate],
+        bias: Sequence[float] | None = None
     ):
+        super().__init__(bias)
         self.probability = probability
         self.distribution = distribution
 
@@ -1280,10 +1635,52 @@ class Mixture(Univariate):
                       Iterable, Univariate)
         self._distribution = distribution
 
+    @Univariate.bias.setter
+    def bias(self, bias):
+        if bias is None:
+            self._bias = bias
+        else:
+            cv.check_type('biased mixture distribution probabilities', bias,
+                          Iterable, Real)
+            for b in bias:
+                cv.check_greater_than('biased mixture distribution probabilities',
+                                      b, 0.0, True)
+            self._bias = np.array(bias, dtype=float)
+
+    @property
+    def support(self):
+        discrete_points = set()
+        intervals = []
+
+        for dist in self.distribution:
+            if isinstance(dist, Discrete):
+                discrete_points |= dist.support
+            else:
+                intervals.append(tuple(dist.support))
+
+        if intervals:
+            # simplify union by combining intervals when able
+            sorted_intervals = sorted(intervals, key=lambda x: x[0])
+            merged = [sorted_intervals[0]]
+
+            for current in sorted_intervals[1:]:
+                prev_start, prev_end = merged[-1]
+                curr_start, curr_end = current
+
+                if curr_start <= prev_end:
+                    merged[-1] = (prev_start, max(prev_end, curr_end))
+                else:
+                    merged.append(current)
+
+            intervals = merged
+
+        return {"discrete": discrete_points, "continuous": intervals}
+
     def cdf(self):
         return np.insert(np.cumsum(self.probability), 0, 0.0)
 
-    def sample(self, n_samples=1, seed=None):
+    def _sample_unbiased(self, n_samples=1, seed=None):
+        # Mixture uses internal bias mechanism, not base class bias
         rng = np.random.RandomState(seed)
 
         # Get probability of each distribution accounting for its intensity
@@ -1296,11 +1693,49 @@ class Mixture(Univariate):
 
         # Draw samples from the distributions sampled above
         out = np.empty_like(idx, dtype=float)
+        out_wgt = np.empty_like(idx, dtype=float)
         for i in np.unique(idx):
             n_dist_samples = np.count_nonzero(idx == i)
-            samples = self.distribution[i].sample(n_dist_samples)
+            samples, weights = self.distribution[i].sample(n_dist_samples)
             out[idx == i] = samples
-        return out
+            out_wgt[idx == i] = weights
+        return out, out_wgt
+
+    def sample(self, n_samples=1, seed=None):
+        # Mixture uses internal bias mechanism, not base class bias
+        if self.bias is None:
+            return self._sample_unbiased(n_samples, seed)
+
+        rng = np.random.RandomState(seed)
+
+        # Get probability of each distribution accounting for its intensity
+        p = np.array([prob*dist.integral() for prob, dist in
+                      zip(self.probability, self.distribution)])
+        p /= p.sum()
+
+        b = np.array([prob*dist.integral() for prob, dist in
+                      zip(self.bias, self.distribution)])
+        b /= b.sum()
+
+        # Sample from the distributions using biased probabilities
+        idx = rng.choice(range(len(self.distribution)), n_samples, p=b)
+        idx_wgt = np.ones(n_samples)
+        for i in np.unique(idx):
+            idx_wgt[idx == i] = p[i]/b[i]
+
+        # Draw samples from the distributions sampled above
+        out = np.empty_like(idx, dtype=float)
+        out_wgt = np.empty_like(idx, dtype=float)
+        for i in np.unique(idx):
+            n_dist_samples = np.count_nonzero(idx == i)
+            samples, weights = self.distribution[i].sample(n_dist_samples)
+            out[idx == i] = samples
+            out_wgt[idx == i] = weights * idx_wgt[idx == i]
+        return out, out_wgt
+
+    def evaluate(self, x):
+        raise NotImplementedError(
+            "evaluate() is undefined for Mixture distributions")
 
     def normalize(self):
         """Normalize the probabilities stored on the distribution"""
@@ -1331,6 +1766,7 @@ class Mixture(Univariate):
           data.set("probability", str(p))
           data.append(d.to_xml_element("dist"))
 
+        self._append_array_bias_to_xml(element)
         return element
 
     @classmethod
@@ -1356,7 +1792,8 @@ class Mixture(Univariate):
             probability.append(float(get_text(pair, 'probability')))
             distribution.append(Univariate.from_xml_element(pair.find("dist")))
 
-        return cls(probability, distribution)
+        bias_dist = cls._read_array_bias_from_xml(elem)
+        return cls(probability, distribution, bias=bias_dist)
 
     def integral(self):
         """Return integral of the distribution
@@ -1510,3 +1947,50 @@ def combine_distributions(
         dist_list[:] = [Mixture(probs, dist_list.copy())]
 
     return dist_list[0]
+
+
+def check_bias_support(parent: Univariate, bias: Univariate | None):
+    """Ensure that bias distributions share the support of the univariate
+    distribution they are biasing.
+
+    Parameters
+    ----------
+    parent : openmc.stats.Univariate
+        Distributions to be biased
+    bias : openmc.stats.Univariate or None
+        Proposed bias distribution
+
+    """
+    if bias is None:
+        return
+
+    def mismatch_error(err_type, msg):
+        raise err_type(f"Support of parent {type(parent).__name__} and bias "
+                       f"{type(bias).__name__} distributions do not match. "
+                       f"{msg}")
+
+    p_sup, b_sup = parent.support, bias.support
+
+    if isinstance(p_sup, set) or isinstance(b_sup, set):
+        raise RuntimeError("Discrete distributions cannot be used as biasing "
+                           "distributions or be biased by another Univariate "
+                           "distribution. Instead, assign a vector of "
+                           "alternate probabilities to the bias attribute.")
+
+    elif isinstance(p_sup, dict) or isinstance (b_sup, dict):
+        raise RuntimeError("Mixture distributions cannot be used as biasing "
+                           "distributions or be biased by another Univariate "
+                           "distribution. Instead, instantiate the Mixture "
+                           "object using biased member distributions, or "
+                           "assign a vector of alternative probabilities to "
+                           "the bias attribute.")
+
+    elif isinstance(p_sup, tuple):
+        if isinstance(b_sup, tuple):
+            if p_sup != b_sup:
+                mismatch_error(ValueError, "")
+        else:
+            mismatch_error(TypeError, "Incompatible support types.")
+
+    else:
+        raise TypeError("Unrecognized type for parent distribution support")
diff --git a/src/chain.cpp b/src/chain.cpp
index e279d1f59..a60ef12cd 100644
--- a/src/chain.cpp
+++ b/src/chain.cpp
@@ -70,8 +70,8 @@ ChainNuclide::~ChainNuclide()
 void DecayPhotonAngleEnergy::sample(
   double E_in, double& E_out, double& mu, uint64_t* seed) const
 {
-  E_out = photon_energy_->sample(seed);
-  mu = Uniform(-1., 1.).sample(seed);
+  E_out = photon_energy_->sample(seed).first;
+  mu = Uniform(-1., 1.).sample(seed).first;
 }
 
 //==============================================================================
diff --git a/src/distribution.cpp b/src/distribution.cpp
index ca00cbde4..537a56171 100644
--- a/src/distribution.cpp
+++ b/src/distribution.cpp
@@ -8,6 +8,7 @@
 #include <stdexcept> // for runtime_error
 #include <string>    // for string, stod
 
+#include "openmc/constants.h"
 #include "openmc/error.h"
 #include "openmc/math_functions.h"
 #include "openmc/random_dist.h"
@@ -16,6 +17,74 @@
 
 namespace openmc {
 
+//==============================================================================
+// Helper function for computing importance weights from biased sampling
+//==============================================================================
+
+vector<double> compute_importance_weights(
+  const vector<double>& p, const vector<double>& b)
+{
+  std::size_t n = p.size();
+
+  // Normalize original probabilities
+  double sum_p = std::accumulate(p.begin(), p.end(), 0.0);
+  vector<double> p_norm(n);
+  for (std::size_t i = 0; i < n; ++i) {
+    p_norm[i] = p[i] / sum_p;
+  }
+
+  // Normalize bias probabilities
+  double sum_b = std::accumulate(b.begin(), b.end(), 0.0);
+  vector<double> b_norm(n);
+  for (std::size_t i = 0; i < n; ++i) {
+    b_norm[i] = b[i] / sum_b;
+  }
+
+  // Compute importance weights
+  vector<double> weights(n);
+  for (std::size_t i = 0; i < n; ++i) {
+    weights[i] = (b_norm[i] == 0.0) ? INFTY : p_norm[i] / b_norm[i];
+  }
+  return weights;
+}
+
+std::pair<double, double> Distribution::sample(uint64_t* seed) const
+{
+  if (bias_) {
+    // Sample from the bias distribution and compute importance weight
+    double val = bias_->sample_unbiased(seed);
+    double wgt = this->evaluate(val) / bias_->evaluate(val);
+    return {val, wgt};
+  } else {
+    // Unbiased sampling: return sampled value with weight 1.0
+    double val = sample_unbiased(seed);
+    return {val, 1.0};
+  }
+}
+
+// PDF evaluation not supported for all distribution types
+double Distribution::evaluate(double x) const
+{
+  throw std::runtime_error(
+    "PDF evaluation not implemented for this distribution type.");
+}
+
+void Distribution::read_bias_from_xml(pugi::xml_node node)
+{
+  if (check_for_node(node, "bias")) {
+    pugi::xml_node bias_node = node.child("bias");
+
+    if (check_for_node(bias_node, "bias")) {
+      openmc::fatal_error(
+        "Distribution has a bias distribution with its own bias distribution. "
+        "Please ensure bias distributions do not have their own bias.");
+    }
+
+    UPtrDist bias = distribution_from_xml(bias_node);
+    this->set_bias(std::move(bias));
+  }
+}
+
 //==============================================================================
 // DiscreteIndex implementation
 //==============================================================================
@@ -36,7 +105,6 @@ DiscreteIndex::DiscreteIndex(span<const double> p)
 void DiscreteIndex::assign(span<const double> p)
 {
   prob_.assign(p.begin(), p.end());
-
   this->init_alias();
 }
 
@@ -115,24 +183,55 @@ void DiscreteIndex::normalize()
 // Discrete implementation
 //==============================================================================
 
-Discrete::Discrete(pugi::xml_node node) : di_(node)
+Discrete::Discrete(pugi::xml_node node)
 {
   auto params = get_node_array<double>(node, "parameters");
-
   std::size_t n = params.size() / 2;
 
+  // First half is x values, second half is probabilities
   x_.assign(params.begin(), params.begin() + n);
+  const double* p = params.data() + n;
+
+  // Check for bias
+  if (check_for_node(node, "bias")) {
+    // Get bias probabilities
+    auto bias_params = get_node_array<double>(node, "bias");
+    if (bias_params.size() != n) {
+      openmc::fatal_error(
+        "Size mismatch: Attempted to bias Discrete distribution with " +
+        std::to_string(n) + " probability entries using a bias with " +
+        std::to_string(bias_params.size()) +
+        " entries. Please ensure distributions have the same size.");
+    }
+
+    // Compute importance weights
+    vector<double> p_vec(p, p + n);
+    weight_ = compute_importance_weights(p_vec, bias_params);
+
+    // Initialize DiscreteIndex with bias probabilities for sampling
+    di_.assign(bias_params);
+  } else {
+    // Unbiased case: weight_ stays empty
+    di_.assign({p, n});
+  }
 }
 
 Discrete::Discrete(const double* x, const double* p, size_t n) : di_({p, n})
 {
-
   x_.assign(x, x + n);
 }
 
-double Discrete::sample(uint64_t* seed) const
+std::pair<double, double> Discrete::sample(uint64_t* seed) const
 {
-  return x_[di_.sample(seed)];
+  size_t idx = di_.sample(seed);
+  double wgt = weight_.empty() ? 1.0 : weight_[idx];
+  return {x_[idx], wgt};
+}
+
+double Discrete::sample_unbiased(uint64_t* seed) const
+{
+  size_t idx = di_.sample(seed);
+  return x_[idx];
 }
 
 //==============================================================================
@@ -149,13 +248,26 @@ Uniform::Uniform(pugi::xml_node node)
 
   a_ = params.at(0);
   b_ = params.at(1);
+
+  read_bias_from_xml(node);
 }
 
-double Uniform::sample(uint64_t* seed) const
+double Uniform::sample_unbiased(uint64_t* seed) const
 {
   return a_ + prn(seed) * (b_ - a_);
 }
 
+double Uniform::evaluate(double x) const
+{
+  if (x <= a()) {
+    return 0.0;
+  } else if (x >= b()) {
+    return 0.0;
+  } else {
+    return 1 / (b() - a());
+  }
+}
+
 //==============================================================================
 // PowerLaw implementation
 //==============================================================================
@@ -175,9 +287,24 @@ PowerLaw::PowerLaw(pugi::xml_node node)
   offset_ = std::pow(a, n + 1);
   span_ = std::pow(b, n + 1) - offset_;
   ninv_ = 1 / (n + 1);
+
+  read_bias_from_xml(node);
 }
 
-double PowerLaw::sample(uint64_t* seed) const
+double PowerLaw::evaluate(double x) const
+{
+  if (x <= a()) {
+    return 0.0;
+  } else if (x >= b()) {
+    return 0.0;
+  } else {
+    int pwr = n() + 1;
+    double norm = pwr / span_;
+    return norm * std::pow(std::fabs(x), n());
+  }
+}
+
+double PowerLaw::sample_unbiased(uint64_t* seed) const
 {
   return std::pow(offset_ + prn(seed) * span_, ninv_);
 }
@@ -189,13 +316,21 @@ double PowerLaw::sample(uint64_t* seed) const
 Maxwell::Maxwell(pugi::xml_node node)
 {
   theta_ = std::stod(get_node_value(node, "parameters"));
+
+  read_bias_from_xml(node);
 }
 
-double Maxwell::sample(uint64_t* seed) const
+double Maxwell::sample_unbiased(uint64_t* seed) const
 {
   return maxwell_spectrum(theta_, seed);
 }
 
+double Maxwell::evaluate(double x) const
+{
+  double c = (2.0 / SQRT_PI) * std::pow(theta_, -1.5);
+  return c * std::sqrt(x) * std::exp(-x / theta_);
+}
+
 //==============================================================================
 // Watt implementation
 //==============================================================================
@@ -209,13 +344,22 @@ Watt::Watt(pugi::xml_node node)
 
   a_ = params.at(0);
   b_ = params.at(1);
+
+  read_bias_from_xml(node);
 }
 
-double Watt::sample(uint64_t* seed) const
+double Watt::sample_unbiased(uint64_t* seed) const
 {
   return watt_spectrum(a_, b_, seed);
 }
 
+double Watt::evaluate(double x) const
+{
+  double c =
+    2.0 / (std::sqrt(PI * b_) * std::pow(a_, 1.5) * std::exp(a_ * b_ / 4.0));
+  return c * std::exp(-x / a_) * std::sinh(std::sqrt(b_ * x));
+}
+
 //==============================================================================
 // Normal implementation
 //==============================================================================
@@ -229,13 +373,22 @@ Normal::Normal(pugi::xml_node node)
 
   mean_value_ = params.at(0);
   std_dev_ = params.at(1);
+
+  read_bias_from_xml(node);
 }
 
-double Normal::sample(uint64_t* seed) const
+double Normal::sample_unbiased(uint64_t* seed) const
 {
   return normal_variate(mean_value_, std_dev_, seed);
 }
 
+double Normal::evaluate(double x) const
+{
+  return (1.0 / (std::sqrt(2.0 / PI) * std_dev_)) *
+         std::exp(-(std::pow((x - mean_value_), 2.0)) /
+                  (2.0 * std::pow(std_dev_, 2.0)));
+}
+
 //==============================================================================
 // Tabular implementation
 //==============================================================================
@@ -266,6 +419,8 @@ Tabular::Tabular(pugi::xml_node node)
   const double* x = params.data();
   const double* p = x + n;
   init(x, p, n);
+
+  read_bias_from_xml(node);
 }
 
 Tabular::Tabular(const double* x, const double* p, int n, Interpolation interp,
@@ -314,7 +469,7 @@ void Tabular::init(
   }
 }
 
-double Tabular::sample(uint64_t* seed) const
+double Tabular::sample_unbiased(uint64_t* seed) const
 {
   // Sample value of CDF
   double c = prn(seed);
@@ -356,11 +511,39 @@ double Tabular::sample(uint64_t* seed) const
   }
 }
 
+double Tabular::evaluate(double x) const
+{
+  int i;
+
+  if (interp_ == Interpolation::histogram) {
+    i = std::upper_bound(x_.begin(), x_.end(), x) - x_.begin() - 1;
+    if (i < 0 || i >= static_cast<int>(p_.size())) {
+      return 0.0;
+    } else {
+      return p_[i];
+    }
+  } else {
+    i = std::lower_bound(x_.begin(), x_.end(), x) - x_.begin() - 1;
+
+    if (i < 0 || i >= static_cast<int>(p_.size()) - 1) {
+      return 0.0;
+    } else {
+      double x0 = x_[i];
+      double x1 = x_[i + 1];
+      double p0 = p_[i];
+      double p1 = p_[i + 1];
+
+      double t = (x - x0) / (x1 - x0);
+      return (1 - t) * p0 + t * p1;
+    }
+  }
+}
+
 //==============================================================================
 // Equiprobable implementation
 //==============================================================================
 
-double Equiprobable::sample(uint64_t* seed) const
+double Equiprobable::sample_unbiased(uint64_t* seed) const
 {
   std::size_t n = x_.size();
 
@@ -372,13 +555,27 @@ double Equiprobable::sample(uint64_t* seed) const
   return xl + ((n - 1) * r - i) * (xr - xl);
 }
 
+double Equiprobable::evaluate(double x) const
+{
+  double x_min = *std::min_element(x_.begin(), x_.end());
+  double x_max = *std::max_element(x_.begin(), x_.end());
+
+  if (x < x_min || x > x_max) {
+    return 0.0;
+  } else {
+    return 1.0 / (x_max - x_min);
+  }
+}
+
 //==============================================================================
 // Mixture implementation
 //==============================================================================
 
 Mixture::Mixture(pugi::xml_node node)
 {
-  double cumsum = 0.0;
+  vector<double> probabilities;
+
+  // First pass: collect distributions and their probabilities
   for (pugi::xml_node pair : node.children("pair")) {
     // Check that required data exists
     if (!pair.attribute("probability"))
@@ -386,39 +583,60 @@ Mixture::Mixture(pugi::xml_node node)
     if (!pair.child("dist"))
       fatal_error("Mixture pair element does not have a distribution.");
 
-    // cummulative sum of probabilities
+    // Get probability and distribution
     double p = std::stod(pair.attribute("probability").value());
-
-    // Save cummulative probability and distribution
     auto dist = distribution_from_xml(pair.child("dist"));
-    cumsum += p * dist->integral();
 
-    distribution_.push_back(std::make_pair(cumsum, std::move(dist)));
+    // Weight probability by the distribution's integral
+    double weighted_prob = p * dist->integral();
+    probabilities.push_back(weighted_prob);
+    distribution_.push_back(std::move(dist));
   }
 
-  // Save integral of distribution
-  integral_ = cumsum;
+  // Save sum of weighted probabilities
+  integral_ = std::accumulate(probabilities.begin(), probabilities.end(), 0.0);
 
-  // Normalize cummulative probabilities to 1
-  for (auto& pair : distribution_) {
-    pair.first /= cumsum;
+  std::size_t n = probabilities.size();
+
+  // Check for bias
+  if (check_for_node(node, "bias")) {
+    // Get bias probabilities
+    auto bias_params = get_node_array<double>(node, "bias");
+    if (bias_params.size() != n) {
+      openmc::fatal_error(
+        "Size mismatch: Attempted to bias Mixture distribution with " +
+        std::to_string(n) + " components using a bias with " +
+        std::to_string(bias_params.size()) +
+        " entries. Please ensure distributions have the same size.");
+    }
+
+    // Compute importance weights
+    weight_ = compute_importance_weights(probabilities, bias_params);
+
+    // Initialize DiscreteIndex with bias probabilities for sampling
+    di_.assign(bias_params);
+  } else {
+    // Unbiased case: weight_ stays empty
+    di_.assign(probabilities);
   }
 }
 
-double Mixture::sample(uint64_t* seed) const
+std::pair<double, double> Mixture::sample(uint64_t* seed) const
 {
-  // Sample value of CDF
-  const double p = prn(seed);
-
-  // find matching distribution
-  const auto it = std::lower_bound(distribution_.cbegin(), distribution_.cend(),
-    p, [](const DistPair& pair, double p) { return pair.first < p; });
-
-  // This should not happen. Catch it
-  assert(it != distribution_.cend());
+  size_t idx = di_.sample(seed);
 
   // Sample the chosen distribution
-  return it->second->sample(seed);
+  auto [val, sub_wgt] = distribution_[idx]->sample(seed);
+
+  // Multiply by component selection weight
+  double mix_wgt = weight_.empty() ? 1.0 : weight_[idx];
+  return {val, mix_wgt * sub_wgt};
+}
+
+double Mixture::sample_unbiased(uint64_t* seed) const
+{
+  size_t idx = di_.sample(seed);
+  return distribution_[idx]->sample(seed).first;
 }
 
 //==============================================================================
diff --git a/src/distribution_angle.cpp b/src/distribution_angle.cpp
index a571b2a5f..50f1aca11 100644
--- a/src/distribution_angle.cpp
+++ b/src/distribution_angle.cpp
@@ -75,7 +75,7 @@ double AngleDistribution::sample(double E, uint64_t* seed) const
     ++i;
 
   // Sample i-th distribution
-  double mu = distribution_[i]->sample(seed);
+  double mu = distribution_[i]->sample(seed).first;
 
   // Make sure mu is in range [-1,1] and return
   if (std::abs(mu) > 1.0)
diff --git a/src/distribution_multi.cpp b/src/distribution_multi.cpp
index cdb33adc2..857e1c30b 100644
--- a/src/distribution_multi.cpp
+++ b/src/distribution_multi.cpp
@@ -20,7 +20,7 @@ unique_ptr<UnitSphereDistribution> UnitSphereDistribution::create(
   if (check_for_node(node, "type"))
     type = get_node_value(node, "type", true, true);
   if (type == "isotropic") {
-    return UPtrAngle {new Isotropic()};
+    return UPtrAngle {new Isotropic(node)};
   } else if (type == "monodirectional") {
     return UPtrAngle {new Monodirectional(node)};
   } else if (type == "mu-phi") {
@@ -82,27 +82,63 @@ PolarAzimuthal::PolarAzimuthal(pugi::xml_node node)
   }
 }
 
-Direction PolarAzimuthal::sample(uint64_t* seed) const
+std::pair<Direction, double> PolarAzimuthal::sample(uint64_t* seed) const
+{
+  return sample_impl(seed, false);
+}
+
+std::pair<Direction, double> PolarAzimuthal::sample_as_bias(
+  uint64_t* seed) const
+{
+  return sample_impl(seed, true);
+}
+
+std::pair<Direction, double> PolarAzimuthal::sample_impl(
+  uint64_t* seed, bool return_pdf) const
 {
   // Sample cosine of polar angle
-  double mu = mu_->sample(seed);
-  if (mu == 1.0)
-    return u_ref_;
-  if (mu == -1.0)
-    return -u_ref_;
+  auto [mu, mu_wgt] = mu_->sample(seed);
 
   // Sample azimuthal angle
-  double phi = phi_->sample(seed);
+  auto [phi, phi_wgt] = phi_->sample(seed);
+
+  // Compute either the PDF value or the importance weight
+  double weight =
+    return_pdf ? (mu_->evaluate(mu) * phi_->evaluate(phi)) : (mu_wgt * phi_wgt);
+
+  if (mu == 1.0)
+    return {u_ref_, weight};
+  if (mu == -1.0)
+    return {-u_ref_, weight};
 
   double f = std::sqrt(1 - mu * mu);
-
-  return mu * u_ref_ + f * std::cos(phi) * v_ref_ + f * std::sin(phi) * w_ref_;
+  return {mu * u_ref_ + f * std::cos(phi) * v_ref_ + f * std::sin(phi) * w_ref_,
+    weight};
 }
 
 //==============================================================================
 // Isotropic implementation
 //==============================================================================
 
+Isotropic::Isotropic(pugi::xml_node node) : UnitSphereDistribution {node}
+{
+  if (check_for_node(node, "bias")) {
+    pugi::xml_node bias_node = node.child("bias");
+    std::string bias_type = get_node_value(bias_node, "type", true, true);
+    if (bias_type != "mu-phi") {
+      openmc::fatal_error(
+        "Isotropic distributions may only be biased by a PolarAzimuthal.");
+    }
+    auto bias = std::make_unique<PolarAzimuthal>(bias_node);
+    if (bias->mu()->bias() || bias->phi()->bias()) {
+      openmc::fatal_error(
+        "Attempted to bias Isotropic distribution with a biased PolarAzimuthal "
+        "distribution. Please ensure bias distributions are unbiased.");
+    }
+    this->set_bias(std::move(bias));
+  }
+}
+
 Direction isotropic_direction(uint64_t* seed)
 {
   double phi = uniform_distribution(0., 2.0 * PI, seed);
@@ -111,18 +147,23 @@ Direction isotropic_direction(uint64_t* seed)
     std::sqrt(1.0 - mu * mu) * std::sin(phi)};
 }
 
-Direction Isotropic::sample(uint64_t* seed) const
+std::pair<Direction, double> Isotropic::sample(uint64_t* seed) const
 {
-  return isotropic_direction(seed);
+  if (bias()) {
+    auto [val, eval] = bias()->sample_as_bias(seed);
+    return {val, 1.0 / (4.0 * PI * eval)};
+  } else {
+    return {isotropic_direction(seed), 1.0};
+  }
 }
 
 //==============================================================================
 // Monodirectional implementation
 //==============================================================================
 
-Direction Monodirectional::sample(uint64_t* seed) const
+std::pair<Direction, double> Monodirectional::sample(uint64_t* seed) const
 {
-  return u_ref_;
+  return {u_ref_, 1.0};
 }
 
 } // namespace openmc
diff --git a/src/distribution_spatial.cpp b/src/distribution_spatial.cpp
index d2b0f413b..80f8f7de1 100644
--- a/src/distribution_spatial.cpp
+++ b/src/distribution_spatial.cpp
@@ -80,9 +80,13 @@ CartesianIndependent::CartesianIndependent(pugi::xml_node node)
   }
 }
 
-Position CartesianIndependent::sample(uint64_t* seed) const
+std::pair<Position, double> CartesianIndependent::sample(uint64_t* seed) const
 {
-  return {x_->sample(seed), y_->sample(seed), z_->sample(seed)};
+  auto [x_val, x_wgt] = x_->sample(seed);
+  auto [y_val, y_wgt] = y_->sample(seed);
+  auto [z_val, z_wgt] = z_->sample(seed);
+  Position xi {x_val, y_val, z_val};
+  return {xi, x_wgt * y_wgt * z_wgt};
 }
 
 //==============================================================================
@@ -139,14 +143,16 @@ CylindricalIndependent::CylindricalIndependent(pugi::xml_node node)
   }
 }
 
-Position CylindricalIndependent::sample(uint64_t* seed) const
+std::pair<Position, double> CylindricalIndependent::sample(uint64_t* seed) const
 {
-  double r = r_->sample(seed);
-  double phi = phi_->sample(seed);
+  auto [r, r_wgt] = r_->sample(seed);
+  auto [phi, phi_wgt] = phi_->sample(seed);
+  auto [z, z_wgt] = z_->sample(seed);
   double x = r * cos(phi) + origin_.x;
   double y = r * sin(phi) + origin_.y;
-  double z = z_->sample(seed) + origin_.z;
-  return {x, y, z};
+  z += origin_.z;
+  Position xi {x, y, z};
+  return {xi, r_wgt * phi_wgt * z_wgt};
 }
 
 //==============================================================================
@@ -203,16 +209,17 @@ SphericalIndependent::SphericalIndependent(pugi::xml_node node)
   }
 }
 
-Position SphericalIndependent::sample(uint64_t* seed) const
+std::pair<Position, double> SphericalIndependent::sample(uint64_t* seed) const
 {
-  double r = r_->sample(seed);
-  double cos_theta = cos_theta_->sample(seed);
-  double phi = phi_->sample(seed);
+  auto [r, r_wgt] = r_->sample(seed);
+  auto [cos_theta, cos_theta_wgt] = cos_theta_->sample(seed);
+  auto [phi, phi_wgt] = phi_->sample(seed);
   // sin(theta) by sin**2 + cos**2 = 1
   double x = r * std::sqrt(1 - cos_theta * cos_theta) * cos(phi) + origin_.x;
   double y = r * std::sqrt(1 - cos_theta * cos_theta) * sin(phi) + origin_.y;
   double z = r * cos_theta + origin_.z;
-  return {x, y, z};
+  Position xi {x, y, z};
+  return {xi, r_wgt * cos_theta_wgt * phi_wgt};
 }
 
 //==============================================================================
@@ -260,6 +267,37 @@ MeshSpatial::MeshSpatial(pugi::xml_node node)
   }
 
   elem_idx_dist_.assign(strengths);
+
+  if (check_for_node(node, "bias")) {
+    pugi::xml_node bias_node = node.child("bias");
+
+    if (check_for_node(bias_node, "strengths")) {
+      std::vector<double> bias_strengths(n_bins, 1.0);
+      bias_strengths = get_node_array<double>(node, "strengths");
+
+      if (bias_strengths.size() != n_bins) {
+        fatal_error(
+          fmt::format("Number of entries in the bias strengths array {} does "
+                      "not match the number of entities in mesh {} ({}).",
+            bias_strengths.size(), mesh_id, n_bins));
+      }
+
+      if (get_node_value_bool(node, "volume_normalized")) {
+        for (int i = 0; i < n_bins; i++) {
+          bias_strengths[i] *= this->mesh()->volume(i);
+        }
+      }
+
+      // Compute importance weights
+      weight_ = compute_importance_weights(strengths, bias_strengths);
+
+      // Re-initialize DiscreteIndex with bias strengths for sampling
+      elem_idx_dist_.assign(bias_strengths);
+    } else {
+      fatal_error(fmt::format(
+        "Bias node for mesh {} found without strengths array.", mesh_id));
+    }
+  }
 }
 
 MeshSpatial::MeshSpatial(int32_t mesh_idx, span<const double> strengths)
@@ -295,9 +333,11 @@ std::pair<int32_t, Position> MeshSpatial::sample_mesh(uint64_t* seed) const
   return {elem_idx, mesh()->sample_element(elem_idx, seed)};
 }
 
-Position MeshSpatial::sample(uint64_t* seed) const
+std::pair<Position, double> MeshSpatial::sample(uint64_t* seed) const
 {
-  return this->sample_mesh(seed).second;
+  auto [elem_idx, u] = this->sample_mesh(seed);
+  double wgt = weight_.empty() ? 1.0 : weight_[elem_idx];
+  return {u, wgt};
 }
 
 //==============================================================================
@@ -328,6 +368,31 @@ PointCloud::PointCloud(pugi::xml_node node)
   }
 
   point_idx_dist_.assign(strengths);
+
+  if (check_for_node(node, "bias")) {
+    pugi::xml_node bias_node = node.child("bias");
+
+    if (check_for_node(bias_node, "strengths")) {
+      std::vector<double> bias_strengths(point_cloud_.size(), 1.0);
+      bias_strengths = get_node_array<double>(node, "strengths");
+
+      if (bias_strengths.size() != point_cloud_.size()) {
+        fatal_error(
+          fmt::format("Number of entries in the bias strengths array {} does "
+                      "not match the number of spatial points provided {}.",
+            bias_strengths.size(), point_cloud_.size()));
+      }
+
+      // Compute importance weights
+      weight_ = compute_importance_weights(strengths, bias_strengths);
+
+      // Re-initialize DiscreteIndex with bias strengths for sampling
+      point_idx_dist_.assign(bias_strengths);
+    } else {
+      fatal_error(
+        fmt::format("Bias node for PointCloud found without strengths array."));
+    }
+  }
 }
 
 PointCloud::PointCloud(
@@ -337,10 +402,11 @@ PointCloud::PointCloud(
   point_idx_dist_.assign(strengths);
 }
 
-Position PointCloud::sample(uint64_t* seed) const
+std::pair<Position, double> PointCloud::sample(uint64_t* seed) const
 {
   int32_t index = point_idx_dist_.sample(seed);
-  return point_cloud_[index];
+  double wgt = weight_.empty() ? 1.0 : weight_[index];
+  return {point_cloud_[index], wgt};
 }
 
 //==============================================================================
@@ -360,10 +426,10 @@ SpatialBox::SpatialBox(pugi::xml_node node, bool fission)
   upper_right_ = Position {params[3], params[4], params[5]};
 }
 
-Position SpatialBox::sample(uint64_t* seed) const
+std::pair<Position, double> SpatialBox::sample(uint64_t* seed) const
 {
   Position xi {prn(seed), prn(seed), prn(seed)};
-  return lower_left_ + xi * (upper_right_ - lower_left_);
+  return {lower_left_ + xi * (upper_right_ - lower_left_), 1.0};
 }
 
 //==============================================================================
@@ -382,9 +448,9 @@ SpatialPoint::SpatialPoint(pugi::xml_node node)
   r_ = Position {params.data()};
 }
 
-Position SpatialPoint::sample(uint64_t* seed) const
+std::pair<Position, double> SpatialPoint::sample(uint64_t* seed) const
 {
-  return r_;
+  return {r_, 1.0};
 }
 
 } // namespace openmc
diff --git a/src/secondary_correlated.cpp b/src/secondary_correlated.cpp
index 3f26fdb01..e820419b4 100644
--- a/src/secondary_correlated.cpp
+++ b/src/secondary_correlated.cpp
@@ -247,9 +247,9 @@ void CorrelatedAngleEnergy::sample(
   // Find correlated angular distribution for closest outgoing energy bin
   if (r1 - c_k < c_k1 - r1 ||
       distribution_[l].interpolation == Interpolation::histogram) {
-    mu = distribution_[l].angle[k]->sample(seed);
+    mu = distribution_[l].angle[k]->sample(seed).first;
   } else {
-    mu = distribution_[l].angle[k + 1]->sample(seed);
+    mu = distribution_[l].angle[k + 1]->sample(seed).first;
   }
 }
 
diff --git a/src/source.cpp b/src/source.cpp
index f6aa665eb..b30b964d3 100644
--- a/src/source.cpp
+++ b/src/source.cpp
@@ -356,6 +356,8 @@ SourceSite IndependentSource::sample(uint64_t* seed) const
 {
   SourceSite site;
   site.particle = particle_;
+  double r_wgt = 1.0;
+  double E_wgt = 1.0;
 
   // Repeat sampling source location until a good site has been accepted
   bool accepted = false;
@@ -365,7 +367,9 @@ SourceSite IndependentSource::sample(uint64_t* seed) const
   while (!accepted) {
 
     // Sample spatial distribution
-    site.r = space_->sample(seed);
+    auto [r, r_wgt_temp] = space_->sample(seed);
+    site.r = r;
+    r_wgt = r_wgt_temp;
 
     // Check if sampled position satisfies spatial constraints
     accepted = satisfies_spatial_constraints(site.r);
@@ -378,7 +382,10 @@ SourceSite IndependentSource::sample(uint64_t* seed) const
   }
 
   // Sample angle
-  site.u = angle_->sample(seed);
+  auto [u, u_wgt] = angle_->sample(seed);
+  site.u = u;
+
+  site.wgt = r_wgt * u_wgt;
 
   // Sample energy and time for neutron and photon sources
   if (settings::solver_type != SolverType::RANDOM_RAY) {
@@ -395,7 +402,9 @@ SourceSite IndependentSource::sample(uint64_t* seed) const
 
     while (true) {
       // Sample energy spectrum
-      site.E = energy_->sample(seed);
+      auto [E, E_wgt_temp] = energy_->sample(seed);
+      site.E = E;
+      E_wgt = E_wgt_temp;
 
       // Resample if energy falls above maximum particle energy
       if (site.E < data::energy_max[p] &&
@@ -407,7 +416,10 @@ SourceSite IndependentSource::sample(uint64_t* seed) const
     }
 
     // Sample particle creation time
-    site.time = time_->sample(seed);
+    auto [time, time_wgt] = time_->sample(seed);
+    site.time = time;
+
+    site.wgt *= (E_wgt * time_wgt);
   }
 
   // Increment number of accepted samples
@@ -537,9 +549,9 @@ CompiledSourceWrapper::~CompiledSourceWrapper()
 // MeshElementSpatial implementation
 //==============================================================================
 
-Position MeshElementSpatial::sample(uint64_t* seed) const
+std::pair<Position, double> MeshElementSpatial::sample(uint64_t* seed) const
 {
-  return model::meshes[mesh_index_]->sample_element(elem_index_, seed);
+  return {model::meshes[mesh_index_]->sample_element(elem_index_, seed), 1.0};
 }
 
 //==============================================================================
diff --git a/tests/cpp_unit_tests/test_distribution.cpp b/tests/cpp_unit_tests/test_distribution.cpp
index e1a212db5..2024b812e 100644
--- a/tests/cpp_unit_tests/test_distribution.cpp
+++ b/tests/cpp_unit_tests/test_distribution.cpp
@@ -28,7 +28,7 @@ TEST_CASE("Test alias method sampling of a discrete distribution")
   int counter = 0;
 
   for (size_t i = 0; i < n_samples; i++) {
-    auto sample = dist.sample(&seed);
+    auto sample = dist.sample(&seed).first;
     std += sample * sample / n_samples;
     dist_mean += sample;
 
@@ -61,7 +61,7 @@ TEST_CASE("Test alias sampling method for pugixml constructor")
   // Initialize discrete distribution and seed
   openmc::Discrete dist(energy);
   uint64_t seed = openmc::init_seed(0, 0);
-  auto sample = dist.sample(&seed);
+  auto sample = dist.sample(&seed).first;
 
   // Assertions
   REQUIRE(dist.x().size() == 3);
diff --git a/tests/regression_tests/source/results_true.dat b/tests/regression_tests/source/results_true.dat
index 7d03c696d..c671463be 100644
--- a/tests/regression_tests/source/results_true.dat
+++ b/tests/regression_tests/source/results_true.dat
@@ -1,2 +1,2 @@
 k-combined:
-3.080655E-01 4.837707E-03
+2.942254E-01 2.571435E-03
diff --git a/tests/unit_tests/__init__.py b/tests/unit_tests/__init__.py
index e97ab13e2..44b5a5018 100644
--- a/tests/unit_tests/__init__.py
+++ b/tests/unit_tests/__init__.py
@@ -14,3 +14,12 @@ def assert_unbounded(obj):
     ll, ur = obj.bounding_box
     assert ll == pytest.approx((-np.inf, -np.inf, -np.inf))
     assert ur == pytest.approx((np.inf, np.inf, np.inf))
+
+
+def assert_sample_mean(samples, expected_mean):
+    # Calculate sample standard deviation
+    std_dev = samples.std() / np.sqrt(samples.size - 1)
+
+    # Means should agree within 4 sigma 99.993% of the time. Note that this is
+    # expected to fail about 1 out of 16,000 times
+    assert np.abs(expected_mean - samples.mean()) < 4*std_dev
diff --git a/tests/unit_tests/test_source_biasing.py b/tests/unit_tests/test_source_biasing.py
new file mode 100644
index 000000000..12588594c
--- /dev/null
+++ b/tests/unit_tests/test_source_biasing.py
@@ -0,0 +1,276 @@
+"""Tests for source biasing using C++ sampling routines via openmc.lib
+
+This test module validates that the C++ distribution sampling implementations
+correctly handle both unbiased and biased sampling when used in source
+definitions. Each test:
+
+1. Creates a minimal model with a source using a specific energy distribution
+2. Uses model.sample_external_source() to generate samples via openmc.lib
+3. Extracts energies from the returned particle list
+4. Validates that:
+   - Unbiased sampling produces the expected mean
+   - Biased sampling with importance weighting produces the expected mean
+   - Weights are correctly applied (non-unity for biased case)
+
+These tests complement the Python-level tests in test_stats.py by exercising
+the full C++ sampling codepath that is used during actual simulations.
+"""
+
+import numpy as np
+import pytest
+import openmc
+
+from tests.unit_tests import assert_sample_mean
+
+
+@pytest.fixture
+def model():
+    """Create a minimal model for source sampling tests."""
+    sphere = openmc.Sphere(r=100.0, boundary_type='vacuum')
+    cell = openmc.Cell(region=-sphere)
+    geometry = openmc.Geometry([cell])
+    settings = openmc.Settings(particles=100, batches=1)
+    space = openmc.stats.Point()
+    angle = openmc.stats.Monodirectional((1.0, 0.0, 0.0))
+    settings.source = openmc.IndependentSource(space=space, angle=angle)
+    return openmc.Model(geometry=geometry, settings=settings)
+
+
+@pytest.mark.flaky(reruns=1)
+def test_discrete(run_in_tmpdir, model):
+    """Test Discrete distribution sampling via C++ routines."""
+    vals = np.array([1.0, 2.0, 3.0])
+    probs = np.array([0.1, 0.7, 0.2])
+    exp_mean = (vals * probs).sum()
+
+    # Create source with discrete energy distribution
+    model.settings.source[0].energy = energy_dist = openmc.stats.Discrete(vals, probs)
+
+    # Sample using C++ routines and extract energies
+    n_samples = 10_000
+    particles = model.sample_external_source(n_samples)
+    energies = np.array([p.E for p in particles])
+
+    # Check unbiased mean
+    assert_sample_mean(energies, exp_mean)
+
+    # Sample from biased distribution
+    energy_dist.bias = np.array([0.2, 0.1, 0.7])
+    particles = model.sample_external_source(n_samples)
+    energies = np.array([p.E for p in particles])
+    weights = np.array([p.wgt for p in particles])
+
+    # Check biased weighted mean
+    weighted_energies = energies * weights
+    assert_sample_mean(weighted_energies, exp_mean)
+    assert np.any(weights != 1.0)
+
+
+@pytest.mark.flaky(reruns=1)
+def test_uniform(run_in_tmpdir, model):
+    """Test Uniform distribution sampling via C++ routines."""
+    a, b = 5.0, 10.0
+    exp_mean = 0.5 * (a + b)
+
+    # Create source with uniform energy distribution
+    model.settings.source[0].energy = energy_dist = openmc.stats.Uniform(a, b)
+
+    # Sample using C++ routines and extract energies
+    n_samples = 10_000
+    particles = model.sample_external_source(n_samples)
+    energies = np.array([p.E for p in particles])
+
+    # Check unbiased mean
+    assert_sample_mean(energies, exp_mean)
+
+    # Sample from biased distribution
+    energy_dist.bias = openmc.stats.PowerLaw(a, b, 2)
+    particles = model.sample_external_source(n_samples)
+    energies = np.array([p.E for p in particles])
+    weights = np.array([p.wgt for p in particles])
+
+    # Check biased weighted mean
+    weighted_energies = energies * weights
+    assert_sample_mean(weighted_energies, exp_mean)
+    assert np.any(weights != 1.0)
+
+
+@pytest.mark.flaky(reruns=1)
+def test_powerlaw(run_in_tmpdir, model):
+    """Test PowerLaw distribution sampling via C++ routines."""
+    a, b, n = 1.0, 20.0, 2.0
+
+    # Determine mean of distribution
+    exp_mean = (n+1)*(b**(n+2) - a**(n+2))/((n+2)*(b**(n+1) - a**(n+1)))
+
+    # Create source with powerlaw energy distribution
+    model.settings.source[0].energy = energy_dist = openmc.stats.PowerLaw(a, b, n)
+
+    # Sample using C++ routines and extract energies
+    n_samples = 10_000
+    particles = model.sample_external_source(n_samples)
+    energies = np.array([p.E for p in particles])
+
+    # Check unbiased mean
+    assert_sample_mean(energies, exp_mean)
+
+    # Sample from biased distribution
+    energy_dist.bias = openmc.stats.Uniform(a, b)
+    particles = model.sample_external_source(n_samples)
+    energies = np.array([p.E for p in particles])
+    weights = np.array([p.wgt for p in particles])
+
+    # Check biased weighted mean
+    weighted_energies = energies * weights
+    assert_sample_mean(weighted_energies, exp_mean)
+    assert np.any(weights != 1.0)
+
+
+@pytest.mark.flaky(reruns=1)
+def test_maxwell(run_in_tmpdir, model):
+    """Test Maxwell distribution sampling via C++ routines."""
+    theta = 1.2895e6
+    exp_mean = 3/2 * theta
+
+    # Create source with Maxwell energy distribution
+    model.settings.source[0].energy = energy_dist = openmc.stats.Maxwell(theta)
+
+    # Sample using C++ routines and extract energies
+    n_samples = 10_000
+    particles = model.sample_external_source(n_samples)
+    energies = np.array([p.E for p in particles])
+
+    # Check unbiased mean
+    assert_sample_mean(energies, exp_mean)
+
+    # Sample from biased distribution
+    energy_dist.bias = openmc.stats.Maxwell(theta * 1.1)
+    particles = model.sample_external_source(n_samples)
+    energies = np.array([p.E for p in particles])
+    weights = np.array([p.wgt for p in particles])
+
+    # Check biased weighted mean
+    weighted_energies = energies * weights
+    assert_sample_mean(weighted_energies, exp_mean)
+    assert np.any(weights != 1.0)
+
+
+@pytest.mark.flaky(reruns=1)
+def test_watt(run_in_tmpdir, model):
+    """Test Watt distribution sampling via C++ routines."""
+    a, b = 0.965e6, 2.29e-6
+    exp_mean = 3/2 * a + a**2 * b / 4
+
+    # Create source with Watt energy distribution
+    model.settings.source[0].energy = energy_dist = openmc.stats.Watt(a, b)
+
+    # Sample using C++ routines and extract energies
+    n_samples = 10_000
+    particles = model.sample_external_source(n_samples)
+    energies = np.array([p.E for p in particles])
+
+    # Check unbiased mean
+    assert_sample_mean(energies, exp_mean)
+
+    # Sample from biased distribution
+    energy_dist.bias = openmc.stats.Watt(a*1.05, b)
+    particles = model.sample_external_source(n_samples)
+    energies = np.array([p.E for p in particles])
+    weights = np.array([p.wgt for p in particles])
+
+    # Check biased weighted mean
+    weighted_energies = energies * weights
+    assert_sample_mean(weighted_energies, exp_mean)
+    assert np.any(weights != 1.0)
+
+
+@pytest.mark.flaky(reruns=1)
+def test_tabular(run_in_tmpdir, model):
+    """Test Tabular distribution sampling via C++ routines."""
+    # Test linear-linear sampling
+    x = np.array([0.0, 5.0, 7.0, 10.0])
+    p = np.array([10.0, 20.0, 5.0, 6.0])
+
+    # Create tabular distribution and normalize to get expected mean
+    model.settings.source[0].energy = energy_dist = openmc.stats.Tabular(x, p, 'linear-linear')
+    energy_dist.normalize()
+    exp_mean = energy_dist.mean()
+
+    # Sample using C++ routines and extract energies
+    n_samples = 10_000
+    particles = model.sample_external_source(n_samples)
+    energies = np.array([p.E for p in particles])
+
+    # Check unbiased mean
+    assert_sample_mean(energies, exp_mean)
+
+    # Sample from biased distribution
+    energy_dist.bias = openmc.stats.Uniform(x[0], x[-1])
+    particles = model.sample_external_source(n_samples)
+    energies = np.array([p.E for p in particles])
+    weights = np.array([p.wgt for p in particles])
+
+    # Check biased weighted mean
+    weighted_energies = energies * weights
+    assert_sample_mean(weighted_energies, exp_mean)
+    assert np.any(weights != 1.0)
+
+
+@pytest.mark.flaky(reruns=1)
+def test_mixture(run_in_tmpdir, model):
+    """Test Mixture distribution sampling via C++ routines."""
+    d1 = openmc.stats.Uniform(0, 5)
+    d2 = openmc.stats.Uniform(3, 7)
+    p = [0.5, 0.5]
+
+    # Create mixture energy distribution
+    model.settings.source[0].energy = energy_dist = openmc.stats.Mixture(p, [d1, d2])
+    exp_mean = (2.5 + 5.0) / 2
+
+    # Sample using C++ routines and extract energies
+    n_samples = 10_000
+    particles = model.sample_external_source(n_samples)
+    energies = np.array([p.E for p in particles])
+
+    # Check unbiased mean
+    assert_sample_mean(energies, exp_mean)
+
+    # Sample using biased sub-distribution
+    energy_dist.distribution[0].bias = openmc.stats.PowerLaw(0, 5, 2)
+    particles = model.sample_external_source(n_samples)
+    energies = np.array([p.E for p in particles])
+    weights = np.array([p.wgt for p in particles])
+
+    # Check biased weighted mean
+    weighted_energies = energies * weights
+    assert_sample_mean(weighted_energies, exp_mean)
+    assert np.any(weights != 1.0)
+
+
+@pytest.mark.flaky(reruns=1)
+def test_normal(run_in_tmpdir, model):
+    """Test Normal distribution sampling via C++ routines."""
+    mean_val = 25.0
+    std_dev = 2.0
+
+    # Create source with normal energy distribution
+    model.settings.source[0].energy = energy_dist = openmc.stats.Normal(mean_val, std_dev)
+
+    # Sample using C++ routines and extract energies
+    n_samples = 10_000
+    particles = model.sample_external_source(n_samples)
+    energies = np.array([p.E for p in particles])
+
+    # Check unbiased mean
+    assert_sample_mean(energies, mean_val)
+
+    # Sample from biased distribution
+    energy_dist.bias = openmc.stats.Normal(mean_val * 1.1, std_dev)
+    particles = model.sample_external_source(n_samples)
+    energies = np.array([p.E for p in particles])
+    weights = np.array([p.wgt for p in particles])
+
+    # Check biased weighted mean
+    weighted_energies = energies * weights
+    assert_sample_mean(weighted_energies, mean_val)
+    assert np.any(weights != 1.0)
diff --git a/tests/unit_tests/test_stats.py b/tests/unit_tests/test_stats.py
index 998d4b984..e92e9e135 100644
--- a/tests/unit_tests/test_stats.py
+++ b/tests/unit_tests/test_stats.py
@@ -6,14 +6,7 @@ import openmc
 import openmc.stats
 from scipy.integrate import trapezoid
 
-
-def assert_sample_mean(samples, expected_mean):
-    # Calculate sample standard deviation
-    std_dev = samples.std() / np.sqrt(samples.size - 1)
-
-    # Means should agree within 4 sigma 99.993% of the time. Note that this is
-    # expected to fail about 1 out of 16,000 times
-    assert np.abs(expected_mean - samples.mean()) < 4*std_dev
+from tests.unit_tests import assert_sample_mean
 
 
 @pytest.mark.flaky(reruns=1)
@@ -47,8 +40,19 @@ def test_discrete():
     # sample discrete distribution and check that the mean of the samples is
     # within 4 std. dev. of the expected mean
     n_samples = 1_000_000
-    samples = d3.sample(n_samples)
+    samples, weights = d3.sample(n_samples)
     assert_sample_mean(samples, exp_mean)
+    assert np.all(weights == 1.0)
+
+    # Test biased distribution
+    d3.bias = np.array([0.2, 0.1, 0.7])
+    bias_elem = d3.to_xml_element('distribution')
+    d4 = openmc.stats.Univariate.from_xml_element(bias_elem)
+    np.testing.assert_array_equal(d4.bias, [0.2, 0.1, 0.7])
+    samples, weights = d4.sample(n_samples)
+    weighted_sample = samples * weights
+    assert_sample_mean(weighted_sample, exp_mean)
+    assert np.all(weights != 1.0)
 
 
 def test_delta_function():
@@ -83,6 +87,28 @@ def test_merge_discrete():
     assert triple.integral() == pytest.approx(6.0)
 
 
+def test_merge_discrete_with_bias():
+    # Two discrete distributions with different biases
+    d1 = openmc.stats.Discrete([1.0, 2.0], [0.5, 0.5])
+    d2 = openmc.stats.Discrete([2.0, 3.0], [0.3, 0.7], bias=[0.1, 0.9])
+
+    merged = openmc.stats.Discrete.merge([d1, d2], [0.6, 0.4])
+    exp_mean = 0.6 * d1.mean() + 0.4 * d2.mean()
+
+    # Verify merged distribution has correct x values
+    assert set(merged.x) == {1.0, 2.0, 3.0}
+
+    # Bias should not be changed in original distributions
+    assert d1.bias is None
+    assert np.all(d2.bias == [0.1, 0.9])
+
+    # Sample and verify bias is applied correctly
+    samples, weights = merged.sample(10_000)
+
+    # Verify weighted mean matches expected unbiased mean
+    assert_sample_mean(samples*weights, exp_mean)
+
+
 def test_clip_discrete():
     # Create discrete distribution with two points that are not important, one
     # because the x value is very small, and one because the p value is very
@@ -125,8 +151,19 @@ def test_uniform():
     # std. dev. of the expected mean
     exp_mean = 0.5 * (a + b)
     n_samples = 1_000_000
-    samples = d.sample(n_samples)
+    samples, weights = d.sample(n_samples)
     assert_sample_mean(samples, exp_mean)
+    assert np.all(weights == 1.0)
+
+    # Test biased distribution
+    d.bias = openmc.stats.PowerLaw(a, b, 2)
+    bias_elem = d.to_xml_element('distribution')
+    d2 = openmc.stats.Univariate.from_xml_element(bias_elem)
+    assert isinstance (d2.bias, openmc.stats.PowerLaw)
+    samples, weights = d2.sample(n_samples)
+    weighted_sample = samples * weights
+    assert_sample_mean(weighted_sample, exp_mean)
+    assert np.all(weights != 1.0)
 
 
 @pytest.mark.flaky(reruns=1)
@@ -147,8 +184,19 @@ def test_powerlaw():
     # sample power law distribution and check that the mean of the samples is
     # within 4 std. dev. of the expected mean
     n_samples = 1_000_000
-    samples = d.sample(n_samples)
+    samples, weights = d.sample(n_samples)
     assert_sample_mean(samples, exp_mean)
+    assert np.all(weights == 1.0)
+
+    # Test biased distribution
+    d.bias = openmc.stats.Uniform(a, b)
+    bias_elem = d.to_xml_element('distribution')
+    d2 = openmc.stats.Univariate.from_xml_element(bias_elem)
+    assert isinstance (d2.bias, openmc.stats.Uniform)
+    samples, weights = d2.sample(n_samples)
+    weighted_sample = samples * weights
+    assert_sample_mean(weighted_sample, exp_mean)
+    assert np.all(weights != 1.0)
 
 
 @pytest.mark.flaky(reruns=1)
@@ -166,13 +214,25 @@ def test_maxwell():
     # sample maxwell distribution and check that the mean of the samples is
     # within 4 std. dev. of the expected mean
     n_samples = 1_000_000
-    samples = d.sample(n_samples)
+    samples, weights = d.sample(n_samples)
     assert_sample_mean(samples, exp_mean)
+    assert np.all(weights == 1.0)
 
     # A second sample starting from a different seed
-    samples_2 = d.sample(n_samples)
+    samples_2, weights_2 = d.sample(n_samples)
     assert_sample_mean(samples_2, exp_mean)
     assert samples_2.mean() != samples.mean()
+    assert np.all(weights_2 == 1)
+
+    # Test biased distribution
+    d.bias = openmc.stats.Maxwell((theta * 1.1))
+    bias_elem = d.to_xml_element('distribution')
+    d2 = openmc.stats.Univariate.from_xml_element(bias_elem)
+    assert isinstance (d2.bias, openmc.stats.Maxwell)
+    samples, weights = d2.sample(n_samples)
+    weighted_sample = samples * weights
+    assert_sample_mean(weighted_sample, exp_mean)
+    assert np.all(weights != 1.0)
 
 
 @pytest.mark.flaky(reruns=1)
@@ -195,8 +255,19 @@ def test_watt():
     # sample Watt distribution and check that the mean of the samples is within
     # 4 std. dev. of the expected mean
     n_samples = 1_000_000
-    samples = d.sample(n_samples)
+    samples, weights = d.sample(n_samples)
     assert_sample_mean(samples, exp_mean)
+    assert np.all(weights == 1.0)
+
+    # Test biased distribution with 5 percent higher T_e
+    d.bias = openmc.stats.Watt(a*1.05, b)
+    bias_elem = d.to_xml_element('distribution')
+    d2 = openmc.stats.Univariate.from_xml_element(bias_elem)
+    assert isinstance (d2.bias, openmc.stats.Watt)
+    samples, weights = d2.sample(n_samples)
+    weighted_sample = samples * weights
+    assert_sample_mean(weighted_sample, exp_mean)
+    assert np.all(weights != 1.0)
 
 
 @pytest.mark.flaky(reruns=1)
@@ -206,8 +277,9 @@ def test_tabular():
     p = np.array([10.0, 20.0, 5.0, 6.0])
     d = openmc.stats.Tabular(x, p, 'linear-linear')
     n_samples = 100_000
-    samples = d.sample(n_samples)
+    samples, weights = d.sample(n_samples)
     assert_sample_mean(samples, d.mean())
+    assert np.all(weights == 1.0)
 
     # test linear-linear normalization
     d.normalize()
@@ -215,8 +287,9 @@ def test_tabular():
 
     # test histogram sampling
     d = openmc.stats.Tabular(x, p, interpolation='histogram')
-    samples = d.sample(n_samples)
+    samples, weights = d.sample(n_samples)
     assert_sample_mean(samples, d.mean())
+    assert np.all(weights == 1.0)
 
     d.normalize()
     assert d.integral() == pytest.approx(1.0)
@@ -226,7 +299,7 @@ def test_tabular():
     d = openmc.stats.Tabular(x, p[:-1], interpolation='histogram')
     d.cdf()
     d.mean()
-    assert_sample_mean(d.sample(n_samples), d.mean())
+    assert_sample_mean(d.sample(n_samples)[0], d.mean())
 
     # passing a shorter probability set should raise an error for linear-linear
     with pytest.raises(ValueError):
@@ -238,6 +311,16 @@ def test_tabular():
     d = openmc.stats.Tabular(x, p, interpolation='linear-linear')
     d.cdf()
 
+    # Test biased distribution
+    d.bias = openmc.stats.Uniform(x[0], x[-1])
+    bias_elem = d.to_xml_element('distribution')
+    d2 = openmc.stats.Univariate.from_xml_element(bias_elem)
+    assert isinstance (d2.bias, openmc.stats.Uniform)
+    samples, weights = d2.sample(n_samples)
+    weighted_sample = samples * weights
+    assert_sample_mean(weighted_sample, d2.mean())
+    assert np.all(weights != 1.0)
+
 
 def test_tabular_from_xml():
     x = np.array([0.0, 5.0, 7.0, 10.0])
@@ -288,8 +371,9 @@ def test_mixture():
 
     # Sample and make sure sample mean is close to expected mean
     n_samples = 1_000_000
-    samples = mix.sample(n_samples)
+    samples, weights = mix.sample(n_samples)
     assert_sample_mean(samples, (2.5 + 5.0)/2)
+    assert np.all(weights == 1.0)
 
     elem = mix.to_xml_element('distribution')
 
@@ -298,6 +382,26 @@ def test_mixture():
     assert d.distribution == [d1, d2]
     assert len(d) == 4
 
+    # Test biased sub-distribution
+    d.distribution[0].bias = openmc.stats.PowerLaw(0, 5, 2)
+    bias_elem = d.to_xml_element('distribution')
+    d3 = openmc.stats.Univariate.from_xml_element(bias_elem)
+    assert isinstance (d3.distribution[0].bias, openmc.stats.PowerLaw)
+    samples, weights = d3.sample(n_samples)
+    weighted_sample = samples * weights
+    assert_sample_mean(weighted_sample, (2.5 + 5.0)/2)
+
+    # Test biased meta-probability
+    d.distribution[0].bias = None
+    d.bias = [0.25, 0.75]
+    bias_elem_2 = d.to_xml_element('distribution')
+    d4 = openmc.stats.Univariate.from_xml_element(bias_elem_2)
+    assert isinstance (d4.bias, np.ndarray)
+    samples, weights = d4.sample(n_samples)
+    weighted_sample = samples * weights
+    assert_sample_mean(weighted_sample, (2.5 + 5.0)/2)
+    assert np.all(weights != 1.0)
+
 
 def test_mixture_clip():
     # Create mixture distribution containing a discrete distribution with two
@@ -330,6 +434,13 @@ def test_mixture_clip():
     with pytest.warns(UserWarning):
         mix_clip = mix.clip(1e-6)
 
+    # Make sure warning is raised if a biased Discrete is clipped
+    d3 = openmc.stats.Discrete([1.0, 1.001], [1.0, 0.7e-8])
+    d3.bias = [0.9, 0.1]
+    mix = openmc.stats.Mixture([1.0, 1.0], [d3, d2])
+    with pytest.raises(RuntimeError):
+        mix_clip = mix.clip(1e-6)
+
 
 def test_polar_azimuthal():
     # default polar-azimuthal should be uniform in mu and phi
@@ -365,12 +476,17 @@ def test_polar_azimuthal():
 
 def test_isotropic():
     d = openmc.stats.Isotropic()
+    mu = openmc.stats.Uniform(-1.0, 1.0)
+    phi = openmc.stats.PowerLaw(0., 2*np.pi, 2)
+    d2 = openmc.stats.PolarAzimuthal(mu, phi)
+    d.bias = d2
     elem = d.to_xml_element()
     assert elem.tag == 'angle'
     assert elem.attrib['type'] == 'isotropic'
 
     d = openmc.stats.Isotropic.from_xml_element(elem)
     assert isinstance(d, openmc.stats.Isotropic)
+    assert isinstance(d.bias, openmc.stats.PolarAzimuthal)
 
 
 def test_monodirectional():
@@ -387,6 +503,7 @@ def test_cartesian():
     x = openmc.stats.Uniform(-10., 10.)
     y = openmc.stats.Uniform(-10., 10.)
     z = openmc.stats.Uniform(0., 20.)
+    z.bias = openmc.stats.PowerLaw(0., 20., 3)
     d = openmc.stats.CartesianIndependent(x, y, z)
 
     elem = d.to_xml_element()
@@ -402,6 +519,7 @@ def test_cartesian():
 
     d = openmc.stats.Spatial.from_xml_element(elem)
     assert isinstance(d, openmc.stats.CartesianIndependent)
+    assert isinstance (d.z.bias, openmc.stats.PowerLaw)
 
 
 def test_box():
@@ -448,8 +566,19 @@ def test_normal():
 
     # sample normal distribution
     n_samples = 100_000
-    samples = d.sample(n_samples)
+    samples, weights = d.sample(n_samples)
     assert_sample_mean(samples, mean)
+    assert np.all(weights == 1.0)
+
+    # Test biased distribution
+    d.bias = openmc.stats.Normal(10.0, 4.0)
+    bias_elem = d.to_xml_element('distribution')
+    d2 = openmc.stats.Univariate.from_xml_element(bias_elem)
+    assert isinstance (d2.bias, openmc.stats.Normal)
+    samples, weights = d2.sample(n_samples)
+    weighted_sample = samples * weights
+    assert_sample_mean(weighted_sample, mean)
+    assert np.all(weights != 1.0)
 
 
 @pytest.mark.flaky(reruns=1)
@@ -468,8 +597,9 @@ def test_muir():
 
     # sample muir distribution
     n_samples = 100_000
-    samples = d.sample(n_samples)
+    samples, weights = d.sample(n_samples)
     assert_sample_mean(samples, mean)
+    assert np.all(weights == 1.0)
 
 
 @pytest.mark.flaky(reruns=1)
@@ -514,8 +644,27 @@ def test_combine_distributions():
 
     # Sample the combined distribution and make sure the sample mean is within
     # uncertainty of the expected value
-    samples = combined.sample(10_000)
+    samples, weights = combined.sample(10_000)
     assert_sample_mean(samples, 0.25)
+    assert np.all(weights == 1.0)
+
+    # If biased/unbiased Discrete distributions are combined, unbiased probability
+    # should be conserved and points from both original distributions should be
+    # assigned bias probabilities.
+    x1 = [0.0, 1.0, 10.0]
+    p1 = [0.3, 0.2, 0.5]
+    b1 = [0.2, 0.5, 0.3]
+    d1 = openmc.stats.Discrete(x1, p1, b1)
+    x2 = [0.5, 1.0, 5.0]
+    p2 = [0.4, 0.5, 0.1]
+    d2 = openmc.stats.Discrete(x2, p2)
+    combined = openmc.stats.combine_distributions([d1, d2, t1], [0.25, 0.25, 0.5])
+
+    p3 = [0.075, 0.1, 0.175, 0.025, 0.125]
+    b3 = [0.05, 0.1, 0.25, 0.025, 0.075]
+    assert all(combined.distribution[-1].p == p3)
+    assert all(combined.distribution[-1].bias == b3)
+
 
 def test_reference_vwu_projection():
     """When a non-orthogonal vector is provided, the setter should project out

From 84a413b130d97a6bc6f3770fc7374617f701cede Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Tue, 13 Jan 2026 21:34:07 +0100
Subject: [PATCH 2480/2654] Speed up reaction rate lookup for
 FluxCollapseHelper (#3724)

---
 openmc/deplete/helpers.py | 8 ++++----
 1 file changed, 4 insertions(+), 4 deletions(-)

diff --git a/openmc/deplete/helpers.py b/openmc/deplete/helpers.py
index f24b89868..14780d61a 100644
--- a/openmc/deplete/helpers.py
+++ b/openmc/deplete/helpers.py
@@ -379,17 +379,17 @@ class FluxCollapseHelper(ReactionRateHelper):
             nuclides_direct = self._rate_tally.nuclides
             shape = (len(nuclides_direct), len(self._reactions_direct))
             rx_rates = self.rate_tally_means[mat_index].reshape(shape)
+            direct_rx_index = {score: i for i, score in enumerate(self._reactions_direct)}
+            direct_nuc_index = {nuc: i for i, nuc in enumerate(nuclides_direct)}
 
         mat = self._materials[mat_index]
 
         for name, i_nuc in zip(self.nuclides, nuc_index):
             for mt, score, i_rx in zip(self._mts, self._scores, react_index):
                 if score in self._reactions_direct and name in nuclides_direct:
-                    # Determine index in rx_rates
-                    i_rx_direct = self._reactions_direct.index(score)
-                    i_nuc_direct = nuclides_direct.index(name)
-
                     # Get reaction rate from tally
+                    i_rx_direct = direct_rx_index[score]
+                    i_nuc_direct = direct_nuc_index[name]
                     self._results_cache[i_nuc, i_rx] = rx_rates[i_nuc_direct, i_rx_direct]
                 else:
                     # Use flux to collapse reaction rate (per N)

From 65e19c1d538bdf33471a50cdfe928b70cc2d1c3e Mon Sep 17 00:00:00 2001
From: GuySten <62616591+GuySten@users.noreply.github.com>
Date: Tue, 13 Jan 2026 23:31:01 +0200
Subject: [PATCH 2481/2654] Fix settings io_format documentation. (#3718)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 docs/source/io_formats/settings.rst | 66 ++++++++++++++++++++++++++++-
 1 file changed, 65 insertions(+), 1 deletion(-)

diff --git a/docs/source/io_formats/settings.rst b/docs/source/io_formats/settings.rst
index b986a526a..8fc26ae07 100644
--- a/docs/source/io_formats/settings.rst
+++ b/docs/source/io_formats/settings.rst
@@ -277,6 +277,15 @@ ignored for all run modes other than "eigenvalue".
 
   *Default*: 1
 
+------------------------------
+``<ifp_n_generation>`` Element
+------------------------------
+
+The ``<ifp_n_generation>`` element indicates the number of generations to
+consider for the Iterated Fission Probability method.
+
+  *Default*: 10
+
 ----------------------
 ``<inactive>`` Element
 ----------------------
@@ -402,7 +411,25 @@ then, OpenMC will only use up to the :math:`P_1` data.
 ``<max_history_splits>`` Element
 --------------------------------
 
-The ``<max_history_splits>`` element indicates the number of times a particle can split during a history.
+The ``<max_history_splits>`` element indicates the number of times a particle
+can split during a history.
+
+  *Default*: 1000
+
+-----------------------------
+``<max_secondaries>`` Element
+-----------------------------
+
+The ``<max_secondaries>`` element indicates the maximum secondary bank size.
+
+  *Default*: 10000
+
+------------------------
+``<max_tracks>`` Element
+------------------------
+
+The ``<max_tracks>`` element indicates the maximum number of tracks written to a
+track file (per MPI process).
 
   *Default*: 1000
 
@@ -1378,6 +1405,15 @@ has the following attributes/sub-elements:
               for fixed source and small criticality calculations, but is very
               optimistic for highly coupled full-core reactor problems.
 
+-------------------------------------
+``<uniform_source_sampling>`` Element
+-------------------------------------
+
+The ``<uniform_source_sampling>`` element indicates whether to sample among
+multiple sources uniformly, applying their strengths as weights to sampled
+particles.
+
+  *Default*: False
 
 ------------------------
 ``<ufs_mesh>`` Element
@@ -1390,6 +1426,16 @@ Agency Monte Carlo Performance Benchmark Problem," Proceedings of *Physor 2012*,
 Knoxville, TN (2012). The mesh should cover all possible fissionable materials
 in the problem and is specified using a :ref:`mesh_element`.
 
+-------------------------------
+``<use_decay_photons>`` Element
+-------------------------------
+
+The ``<use_decay_photons>`` element indicates whether to produce decay photons
+from neutron reactions instead of prompt photons. This is used in conjunction
+with the direct 1-step method for shutdown dose rate calculations.
+
+  *Default*: False
+
 .. _verbosity:
 
 -----------------------
@@ -1620,3 +1666,21 @@ following sub-elements/attributes:
 
   The ``weight_windows_file`` element has no attributes and contains the path to
   a weight windows HDF5 file to load during simulation initialization.
+
+-------------------------------
+``<weight_windows_on>`` Element
+-------------------------------
+
+  The ``weight_windows_on`` element indicates whether weight windows are
+  enabled.
+
+  *Default*: False
+
+----------------------------------
+``<write_initial_source>`` Element
+----------------------------------
+
+  The ``write_initial_source`` element indicates whether to write the initial
+  source distribution to file.
+
+  *Default*: False

From 7106958e001963724110610aa263866220369d52 Mon Sep 17 00:00:00 2001
From: GuySten <62616591+GuySten@users.noreply.github.com>
Date: Wed, 14 Jan 2026 01:25:33 +0200
Subject: [PATCH 2482/2654] Simplify IFP message passing (#3719)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 include/openmc/ifp.h             | 67 +++++++++++++++++++-------
 include/openmc/message_passing.h | 13 +++++
 src/eigenvalue.cpp               | 25 +++++++---
 src/ifp.cpp                      | 81 --------------------------------
 src/message_passing.cpp          |  8 ++++
 5 files changed, 90 insertions(+), 104 deletions(-)

diff --git a/include/openmc/ifp.h b/include/openmc/ifp.h
index 01904d13c..2b751d66f 100644
--- a/include/openmc/ifp.h
+++ b/include/openmc/ifp.h
@@ -6,6 +6,8 @@
 #include "openmc/particle_data.h"
 #include "openmc/settings.h"
 
+#include <algorithm> // for copy
+
 namespace openmc {
 
 //! Check the value of the IFP parameter for beta effective or both.
@@ -113,14 +115,25 @@ void broadcast_ifp_n_generation(int& n_generation,
 //! \param[in] n_generation Number of generations
 //! \param[in] neighbor Index of the neighboring processor
 //! \param[in] requests MPI requests
-//! \param[in] delayed_groups List of delayed group numbers lists
-//! \param[out] send_delayed_groups Delayed group numbers buffer
-//! \param[in] lifetimes List of lifetimes lists
-//! \param[out] send_lifetimes Lifetimes buffer
+//! \param[in] data List of data lists
+//! \param[out] send_data data buffer
+template<typename T>
 void send_ifp_info(int64_t idx, int64_t n, int n_generation, int neighbor,
-  vector<MPI_Request>& requests, const vector<vector<int>>& delayed_groups,
-  vector<int>& send_delayed_groups, const vector<vector<double>>& lifetimes,
-  vector<double>& send_lifetimes);
+  vector<MPI_Request>& requests, const vector<vector<T>>& data,
+  vector<T>& send_data)
+{
+  // Copy data in buffer
+  for (int i = idx; i < idx + n; i++) {
+    std::copy(
+      data[i].begin(), data[i].end(), send_data.begin() + i * n_generation);
+  }
+
+  // Send data
+  requests.emplace_back();
+  MPI_Datatype datatype = mpi::MPITypeMap<T>::mpi_type;
+  MPI_Isend(&send_data[n_generation * idx], n_generation * static_cast<int>(n),
+    datatype, neighbor, mpi::rank, mpi::intracomm, &requests.back());
+}
 
 //! Receive IFP data using MPI.
 //!
@@ -129,12 +142,22 @@ void send_ifp_info(int64_t idx, int64_t n, int n_generation, int neighbor,
 //! \param[in] n_generation Number of generations
 //! \param[in] neighbor Index of the neighboring processor
 //! \param[in] requests MPI requests
-//! \param[in] delayed_groups List of delayed group numbers
-//! \param[in] lifetimes List of lifetimes
+//! \param[in] data data buffer
 //! \param[out] deserialization Information to deserialize the received data
+template<typename T>
 void receive_ifp_data(int64_t idx, int64_t n, int n_generation, int neighbor,
-  vector<MPI_Request>& requests, vector<int>& delayed_groups,
-  vector<double>& lifetimes, vector<DeserializationInfo>& deserialization);
+  vector<MPI_Request>& requests, vector<T>& data,
+  vector<DeserializationInfo>& deserialization)
+{
+  requests.emplace_back();
+  MPI_Datatype datatype = mpi::MPITypeMap<T>::mpi_type;
+  MPI_Irecv(&data[n_generation * idx], n_generation * static_cast<int>(n),
+    datatype, neighbor, neighbor, mpi::intracomm, &requests.back());
+
+  // Deserialization info to reconstruct data later
+  DeserializationInfo info = {idx, n};
+  deserialization.push_back(info);
+}
 
 //! Copy partial IFP data from local lists to source banks.
 //!
@@ -151,12 +174,24 @@ void copy_partial_ifp_data_to_source_banks(int64_t idx, int n, int64_t i_bank,
 //! the IFP source banks.
 //!
 //! \param[in] n_generation Number of generations
+//! \param[in] data data to deserialize
+//! \param[in] bank bank to store data
 //! \param[out] deserialization Information to deserialize the received data
-//! \param[in] delayed_groups List of delayed group numbers
-//! \param[in] lifetimes List of lifetimes
-void deserialize_ifp_info(int n_generation,
-  const vector<DeserializationInfo>& deserialization,
-  const vector<int>& delayed_groups, const vector<double>& lifetimes);
+template<typename T>
+void deserialize_ifp_info(int n_generation, const vector<T>& data,
+  vector<vector<T>>& bank, const vector<DeserializationInfo>& deserialization)
+{
+  for (auto info : deserialization) {
+    int64_t index_local = info.index_local;
+    int64_t n = info.n;
+
+    for (int i = index_local; i < index_local + n; i++) {
+      vector<T> data_received(
+        data.begin() + n_generation * i, data.begin() + n_generation * (i + 1));
+      bank[i] = data_received;
+    }
+  }
+}
 
 #endif
 
diff --git a/include/openmc/message_passing.h b/include/openmc/message_passing.h
index ce993776b..03e236338 100644
--- a/include/openmc/message_passing.h
+++ b/include/openmc/message_passing.h
@@ -22,6 +22,19 @@ extern MPI_Datatype collision_track_site;
 extern MPI_Comm intracomm;
 #endif
 
+//==============================================================================
+// Template struct used to map types to MPI datatypes
+// By having a single static data member, the template can
+// be specialized for each type we know of. The specializations appear in the
+// .cpp file since they are definitions.
+//==============================================================================
+#ifdef OPENMC_MPI
+template<typename T>
+struct MPITypeMap {
+  static const MPI_Datatype mpi_type;
+};
+#endif
+
 // Calculates global indices of the bank particles
 // across all ranks using a parallel scan. This is used to write
 // the surface source file in parallel runs. It will probably
diff --git a/src/eigenvalue.cpp b/src/eigenvalue.cpp
index 8412cbd3b..2fb9dabf1 100644
--- a/src/eigenvalue.cpp
+++ b/src/eigenvalue.cpp
@@ -248,9 +248,12 @@ void synchronize_bank()
 
         if (settings::ifp_on) {
           // Send IFP data
-          send_ifp_info(index_local, n, ifp_n_generation, neighbor, requests,
-            temp_delayed_groups, send_delayed_groups, temp_lifetimes,
-            send_lifetimes);
+          if (is_beta_effective_or_both())
+            send_ifp_info(index_local, n, ifp_n_generation, neighbor, requests,
+              temp_delayed_groups, send_delayed_groups);
+          if (is_generation_time_or_both())
+            send_ifp_info(index_local, n, ifp_n_generation, neighbor, requests,
+              temp_lifetimes, send_lifetimes);
         }
       }
 
@@ -316,8 +319,12 @@ void synchronize_bank()
 
       if (settings::ifp_on) {
         // Receive IFP data
-        receive_ifp_data(index_local, n, ifp_n_generation, neighbor, requests,
-          recv_delayed_groups, recv_lifetimes, deserialization_info);
+        if (is_beta_effective_or_both())
+          receive_ifp_data(index_local, n, ifp_n_generation, neighbor, requests,
+            recv_delayed_groups, deserialization_info);
+        if (is_generation_time_or_both())
+          receive_ifp_data(index_local, n, ifp_n_generation, neighbor, requests,
+            recv_lifetimes, deserialization_info);
       }
 
     } else {
@@ -348,8 +355,12 @@ void synchronize_bank()
   MPI_Waitall(n_request, requests.data(), MPI_STATUSES_IGNORE);
 
   if (settings::ifp_on) {
-    deserialize_ifp_info(ifp_n_generation, deserialization_info,
-      recv_delayed_groups, recv_lifetimes);
+    if (is_beta_effective_or_both())
+      deserialize_ifp_info(ifp_n_generation, recv_delayed_groups,
+        simulation::ifp_source_delayed_group_bank, deserialization_info);
+    if (is_generation_time_or_both())
+      deserialize_ifp_info(ifp_n_generation, recv_lifetimes,
+        simulation::ifp_source_lifetime_bank, deserialization_info);
   }
 
 #else
diff --git a/src/ifp.cpp b/src/ifp.cpp
index cc4a76538..a5157440d 100644
--- a/src/ifp.cpp
+++ b/src/ifp.cpp
@@ -63,7 +63,6 @@ void copy_ifp_data_from_fission_banks(
 }
 
 #ifdef OPENMC_MPI
-
 void broadcast_ifp_n_generation(int& n_generation,
   const vector<vector<int>>& delayed_groups,
   const vector<vector<double>>& lifetimes)
@@ -78,61 +77,6 @@ void broadcast_ifp_n_generation(int& n_generation,
   MPI_Bcast(&n_generation, 1, MPI_INT, 0, mpi::intracomm);
 }
 
-void send_ifp_info(int64_t idx, int64_t n, int n_generation, int neighbor,
-  vector<MPI_Request>& requests, const vector<vector<int>>& delayed_groups,
-  vector<int>& send_delayed_groups, const vector<vector<double>>& lifetimes,
-  vector<double>& send_lifetimes)
-{
-  // Copy data in send buffers
-  for (int i = idx; i < idx + n; i++) {
-    if (is_beta_effective_or_both()) {
-      std::copy(delayed_groups[i].begin(), delayed_groups[i].end(),
-        send_delayed_groups.begin() + i * n_generation);
-    }
-    if (is_generation_time_or_both()) {
-      std::copy(lifetimes[i].begin(), lifetimes[i].end(),
-        send_lifetimes.begin() + i * n_generation);
-    }
-  }
-  // Send delayed groups
-  if (is_beta_effective_or_both()) {
-    requests.emplace_back();
-    MPI_Isend(&send_delayed_groups[n_generation * idx],
-      n_generation * static_cast<int>(n), MPI_INT, neighbor, mpi::rank,
-      mpi::intracomm, &requests.back());
-  }
-  // Send lifetimes
-  if (is_generation_time_or_both()) {
-    requests.emplace_back();
-    MPI_Isend(&send_lifetimes[n_generation * idx],
-      n_generation * static_cast<int>(n), MPI_DOUBLE, neighbor, mpi::rank,
-      mpi::intracomm, &requests.back());
-  }
-}
-
-void receive_ifp_data(int64_t idx, int64_t n, int n_generation, int neighbor,
-  vector<MPI_Request>& requests, vector<int>& delayed_groups,
-  vector<double>& lifetimes, vector<DeserializationInfo>& deserialization)
-{
-  // Receive delayed groups
-  if (is_beta_effective_or_both()) {
-    requests.emplace_back();
-    MPI_Irecv(&delayed_groups[n_generation * idx],
-      n_generation * static_cast<int>(n), MPI_INT, neighbor, neighbor,
-      mpi::intracomm, &requests.back());
-  }
-  // Receive lifetimes
-  if (is_generation_time_or_both()) {
-    requests.emplace_back();
-    MPI_Irecv(&lifetimes[n_generation * idx],
-      n_generation * static_cast<int>(n), MPI_DOUBLE, neighbor, neighbor,
-      mpi::intracomm, &requests.back());
-  }
-  // Deserialization info to reconstruct data later
-  DeserializationInfo info = {idx, n};
-  deserialization.push_back(info);
-}
-
 void copy_partial_ifp_data_to_source_banks(int64_t idx, int n, int64_t i_bank,
   const vector<vector<int>>& delayed_groups,
   const vector<vector<double>>& lifetimes)
@@ -146,31 +90,6 @@ void copy_partial_ifp_data_to_source_banks(int64_t idx, int n, int64_t i_bank,
       &simulation::ifp_source_lifetime_bank[i_bank]);
   }
 }
-
-void deserialize_ifp_info(int n_generation,
-  const vector<DeserializationInfo>& deserialization,
-  const vector<int>& delayed_groups, const vector<double>& lifetimes)
-{
-  for (auto info : deserialization) {
-    int64_t index_local = info.index_local;
-    int64_t n = info.n;
-
-    for (int i = index_local; i < index_local + n; i++) {
-      if (is_beta_effective_or_both()) {
-        vector<int> delayed_groups_received(
-          delayed_groups.begin() + n_generation * i,
-          delayed_groups.begin() + n_generation * (i + 1));
-        simulation::ifp_source_delayed_group_bank[i] = delayed_groups_received;
-      }
-      if (is_generation_time_or_both()) {
-        vector<double> lifetimes_received(lifetimes.begin() + n_generation * i,
-          lifetimes.begin() + n_generation * (i + 1));
-        simulation::ifp_source_lifetime_bank[i] = lifetimes_received;
-      }
-    }
-  }
-}
-
 #endif
 
 void copy_complete_ifp_data_to_source_banks(
diff --git a/src/message_passing.cpp b/src/message_passing.cpp
index a160f6d73..cf6113ed6 100644
--- a/src/message_passing.cpp
+++ b/src/message_passing.cpp
@@ -39,6 +39,14 @@ vector<int64_t> calculate_parallel_index_vector(int64_t size)
   return result;
 }
 
+#ifdef OPENMC_MPI
+// Specializations of the MPITypeMap template struct
+template<>
+const MPI_Datatype MPITypeMap<int>::mpi_type = MPI_INT;
+template<>
+const MPI_Datatype MPITypeMap<double>::mpi_type = MPI_DOUBLE;
+#endif
+
 } // namespace mpi
 
 } // namespace openmc

From 5bce5adabc42c9ebcfd3d5b9ef474b5eb9fc29aa Mon Sep 17 00:00:00 2001
From: Kevin Sawatzky <66632997+nuclearkevin@users.noreply.github.com>
Date: Wed, 14 Jan 2026 12:02:17 -0600
Subject: [PATCH 2483/2654] Support cell densities in the random ray solver
 (#3720)

---
 include/openmc/material.h                     |   8 +-
 include/openmc/random_ray/source_region.h     |  12 +-
 src/random_ray/flat_source_domain.cpp         |  53 ++--
 src/random_ray/linear_source_domain.cpp       |  11 +-
 src/random_ray/random_ray.cpp                 |   6 +-
 src/random_ray/source_region.cpp              |  12 +-
 .../random_ray_cell_density/__init__.py       |   0
 .../eigen/inputs_true.dat                     | 109 ++++++++
 .../eigen/results_true.dat                    | 171 ++++++++++++
 .../fs/inputs_true.dat                        | 244 ++++++++++++++++++
 .../fs/results_true.dat                       |   9 +
 .../random_ray_cell_density/test.py           |  43 +++
 12 files changed, 648 insertions(+), 30 deletions(-)
 create mode 100644 tests/regression_tests/random_ray_cell_density/__init__.py
 create mode 100644 tests/regression_tests/random_ray_cell_density/eigen/inputs_true.dat
 create mode 100644 tests/regression_tests/random_ray_cell_density/eigen/results_true.dat
 create mode 100644 tests/regression_tests/random_ray_cell_density/fs/inputs_true.dat
 create mode 100644 tests/regression_tests/random_ray_cell_density/fs/results_true.dat
 create mode 100644 tests/regression_tests/random_ray_cell_density/test.py

diff --git a/include/openmc/material.h b/include/openmc/material.h
index e36946c71..c10f25551 100644
--- a/include/openmc/material.h
+++ b/include/openmc/material.h
@@ -14,6 +14,7 @@
 #include "openmc/memory.h" // for unique_ptr
 #include "openmc/ncrystal_interface.h"
 #include "openmc/particle.h"
+#include "openmc/settings.h"
 #include "openmc/vector.h"
 
 namespace openmc {
@@ -110,9 +111,12 @@ public:
   //! \return Density in [atom/b-cm]
   double density() const { return density_; }
 
-  //! Get density in [g/cm^3]
+  //! Get density in [g/cm^3].
   //! \return Density in [g/cm^3]
-  double density_gpcc() const { return density_gpcc_; }
+  double density_gpcc() const
+  {
+    return settings::run_CE ? density_gpcc_ : density();
+  }
 
   //! Get charge density in [e/b-cm]
   //! \return Charge density in [e/b-cm]
diff --git a/include/openmc/random_ray/source_region.h b/include/openmc/random_ray/source_region.h
index 0f5a747ff..c20d46abe 100644
--- a/include/openmc/random_ray/source_region.h
+++ b/include/openmc/random_ray/source_region.h
@@ -146,6 +146,7 @@ public:
 
   // Scalar fields
   int* material_;
+  double* density_mult_;
   int* is_small_;
   int* n_hits_;
   int* birthday_;
@@ -195,6 +196,9 @@ public:
   int& material() { return *material_; }
   const int material() const { return *material_; }
 
+  double& density_mult() { return *density_mult_; }
+  const double density_mult() const { return *density_mult_; }
+
   int& is_small() { return *is_small_; }
   const int is_small() const { return *is_small_; }
 
@@ -316,7 +320,9 @@ public:
   //---------------------------------------
   // Scalar fields
 
-  int material_ {0}; //!< Index in openmc::model::materials array
+  int material_ {0};          //!< Index in openmc::model::materials array
+  double density_mult_ {1.0}; //!< A density multiplier queried from the cell
+                              //!< corresponding to the source region.
   OpenMPMutex lock_;
   double volume_ {
     0.0}; //!< Volume (computed from the sum of ray crossing lengths)
@@ -394,6 +400,9 @@ public:
   int& material(int64_t sr) { return material_[sr]; }
   const int material(int64_t sr) const { return material_[sr]; }
 
+  double& density_mult(int64_t sr) { return density_mult_[sr]; }
+  const double density_mult(int64_t sr) const { return density_mult_[sr]; }
+
   int& is_small(int64_t sr) { return is_small_[sr]; }
   const int is_small(int64_t sr) const { return is_small_[sr]; }
 
@@ -625,6 +634,7 @@ private:
 
   // SoA storage for scalar fields (one item per source region)
   vector<int> material_;
+  vector<double> density_mult_;
   vector<int> is_small_;
   vector<int> n_hits_;
   vector<int> mesh_;
diff --git a/src/random_ray/flat_source_domain.cpp b/src/random_ray/flat_source_domain.cpp
index ec14795dd..2f5007fc9 100644
--- a/src/random_ray/flat_source_domain.cpp
+++ b/src/random_ray/flat_source_domain.cpp
@@ -109,18 +109,21 @@ void FlatSourceDomain::update_single_neutron_source(SourceRegionHandle& srh)
 
   // Add scattering + fission source
   int material = srh.material();
+  double density_mult = srh.density_mult();
   if (material != MATERIAL_VOID) {
     double inverse_k_eff = 1.0 / k_eff_;
     for (int g_out = 0; g_out < negroups_; g_out++) {
-      double sigma_t = sigma_t_[material * negroups_ + g_out];
+      double sigma_t = sigma_t_[material * negroups_ + g_out] * density_mult;
       double scatter_source = 0.0;
       double fission_source = 0.0;
 
       for (int g_in = 0; g_in < negroups_; g_in++) {
         double scalar_flux = srh.scalar_flux_old(g_in);
-        double sigma_s =
-          sigma_s_[material * negroups_ * negroups_ + g_out * negroups_ + g_in];
-        double nu_sigma_f = nu_sigma_f_[material * negroups_ + g_in];
+        double sigma_s = sigma_s_[material * negroups_ * negroups_ +
+                                  g_out * negroups_ + g_in] *
+                         density_mult;
+        double nu_sigma_f =
+          nu_sigma_f_[material * negroups_ + g_in] * density_mult;
         double chi = chi_[material * negroups_ + g_out];
 
         scatter_source += sigma_s * scalar_flux;
@@ -198,7 +201,8 @@ void FlatSourceDomain::set_flux_to_flux_plus_source(
         source_regions_.volume_sq(sr);
     }
   } else {
-    double sigma_t = sigma_t_[source_regions_.material(sr) * negroups_ + g];
+    double sigma_t = sigma_t_[source_regions_.material(sr) * negroups_ + g] *
+                     source_regions_.density_mult(sr);
     source_regions_.scalar_flux_new(sr, g) /= (sigma_t * volume);
     source_regions_.scalar_flux_new(sr, g) += source_regions_.source(sr, g);
   }
@@ -332,7 +336,8 @@ void FlatSourceDomain::compute_k_eff()
     double sr_fission_source_new = 0;
 
     for (int g = 0; g < negroups_; g++) {
-      double nu_sigma_f = nu_sigma_f_[material * negroups_ + g];
+      double nu_sigma_f = nu_sigma_f_[material * negroups_ + g] *
+                          source_regions_.density_mult(sr);
       sr_fission_source_old +=
         nu_sigma_f * source_regions_.scalar_flux_old(sr, g);
       sr_fission_source_new +=
@@ -562,7 +567,8 @@ double FlatSourceDomain::compute_fixed_source_normalization_factor() const
       // to get the total source strength in the expected units.
       double sigma_t = 1.0;
       if (material != MATERIAL_VOID) {
-        sigma_t = sigma_t_[material * negroups_ + g];
+        sigma_t =
+          sigma_t_[material * negroups_ + g] * source_regions_.density_mult(sr);
       }
       simulation_external_source_strength +=
         source_regions_.external_source(sr, g) * sigma_t * volume;
@@ -618,7 +624,9 @@ void FlatSourceDomain::random_ray_tally()
     // source strength.
     double volume = source_regions_.volume(sr) * simulation_volume_;
 
-    double material = source_regions_.material(sr);
+    int material = source_regions_.material(sr);
+    double density_mult = source_regions_.density_mult(sr);
+
     for (int g = 0; g < negroups_; g++) {
       double flux =
         source_regions_.scalar_flux_new(sr, g) * source_normalization_factor;
@@ -634,19 +642,22 @@ void FlatSourceDomain::random_ray_tally()
 
         case SCORE_TOTAL:
           if (material != MATERIAL_VOID) {
-            score = flux * volume * sigma_t_[material * negroups_ + g];
+            score =
+              flux * volume * sigma_t_[material * negroups_ + g] * density_mult;
           }
           break;
 
         case SCORE_FISSION:
           if (material != MATERIAL_VOID) {
-            score = flux * volume * sigma_f_[material * negroups_ + g];
+            score =
+              flux * volume * sigma_f_[material * negroups_ + g] * density_mult;
           }
           break;
 
         case SCORE_NU_FISSION:
           if (material != MATERIAL_VOID) {
-            score = flux * volume * nu_sigma_f_[material * negroups_ + g];
+            score = flux * volume * nu_sigma_f_[material * negroups_ + g] *
+                    density_mult;
           }
           break;
 
@@ -913,7 +924,8 @@ void FlatSourceDomain::output_to_vtk() const
             for (int g = 0; g < negroups_; g++) {
               int64_t source_element = fsr * negroups_ + g;
               float flux = evaluate_flux_at_point(voxel_positions[i], fsr, g);
-              double sigma_f = sigma_f_[mat * negroups_ + g];
+              double sigma_f = sigma_f_[mat * negroups_ + g] *
+                               source_regions_.density_mult(fsr);
               total_fission += sigma_f * flux;
             }
           }
@@ -934,7 +946,8 @@ void FlatSourceDomain::output_to_vtk() const
             // multiply it back to get the true external source.
             double sigma_t = 1.0;
             if (mat != MATERIAL_VOID) {
-              sigma_t = sigma_t_[mat * negroups_ + g];
+              sigma_t = sigma_t_[mat * negroups_ + g] *
+                        source_regions_.density_mult(fsr);
             }
             total_external += source_regions_.external_source(fsr, g) * sigma_t;
           }
@@ -1244,7 +1257,8 @@ void FlatSourceDomain::set_adjoint_sources()
       continue;
     }
     for (int g = 0; g < negroups_; g++) {
-      double sigma_t = sigma_t_[material * negroups_ + g];
+      double sigma_t =
+        sigma_t_[material * negroups_ + g] * source_regions_.density_mult(sr);
       source_regions_.external_source(sr, g) /= sigma_t;
     }
   }
@@ -1495,6 +1509,8 @@ SourceRegionHandle FlatSourceDomain::get_subdivided_source_region_handle(
 
   handle.material() = material;
 
+  handle.density_mult() = cell.density_mult(gs.cell_instance());
+
   // Store the mesh index (if any) assigned to this source region
   handle.mesh() = mesh_idx;
 
@@ -1523,7 +1539,8 @@ SourceRegionHandle FlatSourceDomain::get_subdivided_source_region_handle(
     // Divide external source term by sigma_t
     if (material != C_NONE) {
       for (int g = 0; g < negroups_; g++) {
-        double sigma_t = sigma_t_[material * negroups_ + g];
+        double sigma_t =
+          sigma_t_[material * negroups_ + g] * handle.density_mult();
         handle.external_source(g) /= sigma_t;
       }
     }
@@ -1598,6 +1615,7 @@ void FlatSourceDomain::apply_transport_stabilization()
 #pragma omp parallel for
   for (int64_t sr = 0; sr < n_source_regions(); sr++) {
     int material = source_regions_.material(sr);
+    double density_mult = source_regions_.density_mult(sr);
     if (material == MATERIAL_VOID) {
       continue;
     }
@@ -1605,9 +1623,10 @@ void FlatSourceDomain::apply_transport_stabilization()
       // Only apply stabilization if the diagonal (in-group) scattering XS is
       // negative
       double sigma_s =
-        sigma_s_[material * negroups_ * negroups_ + g * negroups_ + g];
+        sigma_s_[material * negroups_ * negroups_ + g * negroups_ + g] *
+        density_mult;
       if (sigma_s < 0.0) {
-        double sigma_t = sigma_t_[material * negroups_ + g];
+        double sigma_t = sigma_t_[material * negroups_ + g] * density_mult;
         double phi_new = source_regions_.scalar_flux_new(sr, g);
         double phi_old = source_regions_.scalar_flux_old(sr, g);
 
diff --git a/src/random_ray/linear_source_domain.cpp b/src/random_ray/linear_source_domain.cpp
index 47ffbb727..02f4c9e23 100644
--- a/src/random_ray/linear_source_domain.cpp
+++ b/src/random_ray/linear_source_domain.cpp
@@ -43,12 +43,13 @@ void LinearSourceDomain::update_single_neutron_source(SourceRegionHandle& srh)
 
   // Add scattering + fission source
   int material = srh.material();
+  double density_mult = srh.density_mult();
   if (material != MATERIAL_VOID) {
     double inverse_k_eff = 1.0 / k_eff_;
     MomentMatrix invM = srh.mom_matrix().inverse();
 
     for (int g_out = 0; g_out < negroups_; g_out++) {
-      double sigma_t = sigma_t_[material * negroups_ + g_out];
+      double sigma_t = sigma_t_[material * negroups_ + g_out] * density_mult;
 
       double scatter_flat = 0.0f;
       double fission_flat = 0.0f;
@@ -61,9 +62,11 @@ void LinearSourceDomain::update_single_neutron_source(SourceRegionHandle& srh)
         MomentArray flux_linear = srh.flux_moments_old(g_in);
 
         // Handles for cross sections
-        double sigma_s =
-          sigma_s_[material * negroups_ * negroups_ + g_out * negroups_ + g_in];
-        double nu_sigma_f = nu_sigma_f_[material * negroups_ + g_in];
+        double sigma_s = sigma_s_[material * negroups_ * negroups_ +
+                                  g_out * negroups_ + g_in] *
+                         density_mult;
+        double nu_sigma_f =
+          nu_sigma_f_[material * negroups_ + g_in] * density_mult;
         double chi = chi_[material * negroups_ + g_out];
 
         // Compute source terms for flat and linear components of the flux
diff --git a/src/random_ray/random_ray.cpp b/src/random_ray/random_ray.cpp
index c19d136a4..1b61d8c20 100644
--- a/src/random_ray/random_ray.cpp
+++ b/src/random_ray/random_ray.cpp
@@ -435,7 +435,8 @@ void RandomRay::attenuate_flux_flat_source(
 
   // MOC incoming flux attenuation + source contribution/attenuation equation
   for (int g = 0; g < negroups_; g++) {
-    float sigma_t = domain_->sigma_t_[material * negroups_ + g];
+    float sigma_t =
+      domain_->sigma_t_[material * negroups_ + g] * srh.density_mult();
     float tau = sigma_t * distance;
     float exponential = cjosey_exponential(tau); // exponential = 1 - exp(-tau)
     float new_delta_psi = (angular_flux_[g] - srh.source(g)) * exponential;
@@ -558,7 +559,8 @@ void RandomRay::attenuate_flux_linear_source(
   for (int g = 0; g < negroups_; g++) {
 
     // Compute tau, the optical thickness of the ray segment
-    float sigma_t = domain_->sigma_t_[material * negroups_ + g];
+    float sigma_t =
+      domain_->sigma_t_[material * negroups_ + g] * srh.density_mult();
     float tau = sigma_t * distance;
 
     // If tau is very small, set it to zero to avoid numerical issues.
diff --git a/src/random_ray/source_region.cpp b/src/random_ray/source_region.cpp
index 3b06f0ed0..15c65221a 100644
--- a/src/random_ray/source_region.cpp
+++ b/src/random_ray/source_region.cpp
@@ -11,10 +11,11 @@ namespace openmc {
 //==============================================================================
 SourceRegionHandle::SourceRegionHandle(SourceRegion& sr)
   : negroups_(sr.scalar_flux_old_.size()), material_(&sr.material_),
-    is_small_(&sr.is_small_), n_hits_(&sr.n_hits_),
-    is_linear_(sr.source_gradients_.size() > 0), lock_(&sr.lock_),
-    volume_(&sr.volume_), volume_t_(&sr.volume_t_), volume_sq_(&sr.volume_sq_),
-    volume_sq_t_(&sr.volume_sq_t_), volume_naive_(&sr.volume_naive_),
+    density_mult_(&sr.density_mult_), is_small_(&sr.is_small_),
+    n_hits_(&sr.n_hits_), is_linear_(sr.source_gradients_.size() > 0),
+    lock_(&sr.lock_), volume_(&sr.volume_), volume_t_(&sr.volume_t_),
+    volume_sq_(&sr.volume_sq_), volume_sq_t_(&sr.volume_sq_t_),
+    volume_naive_(&sr.volume_naive_),
     position_recorded_(&sr.position_recorded_),
     external_source_present_(&sr.external_source_present_),
     position_(&sr.position_), centroid_(&sr.centroid_),
@@ -70,6 +71,7 @@ void SourceRegionContainer::push_back(const SourceRegion& sr)
 
   // Scalar fields
   material_.push_back(sr.material_);
+  density_mult_.push_back(sr.density_mult_);
   is_small_.push_back(sr.is_small_);
   n_hits_.push_back(sr.n_hits_);
   lock_.push_back(sr.lock_);
@@ -123,6 +125,7 @@ void SourceRegionContainer::assign(
   // Clear existing data
   n_source_regions_ = 0;
   material_.clear();
+  density_mult_.clear();
   is_small_.clear();
   n_hits_.clear();
   lock_.clear();
@@ -180,6 +183,7 @@ SourceRegionHandle SourceRegionContainer::get_source_region_handle(int64_t sr)
   SourceRegionHandle handle;
   handle.negroups_ = negroups();
   handle.material_ = &material(sr);
+  handle.density_mult_ = &density_mult(sr);
   handle.is_small_ = &is_small(sr);
   handle.n_hits_ = &n_hits(sr);
   handle.is_linear_ = is_linear();
diff --git a/tests/regression_tests/random_ray_cell_density/__init__.py b/tests/regression_tests/random_ray_cell_density/__init__.py
new file mode 100644
index 000000000..e69de29bb
diff --git a/tests/regression_tests/random_ray_cell_density/eigen/inputs_true.dat b/tests/regression_tests/random_ray_cell_density/eigen/inputs_true.dat
new file mode 100644
index 000000000..0dd354cf0
--- /dev/null
+++ b/tests/regression_tests/random_ray_cell_density/eigen/inputs_true.dat
@@ -0,0 +1,109 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <cross_sections>mgxs.h5</cross_sections>
+    <material id="1" name="UO2 fuel">
+      <density value="1.0" units="macro"/>
+      <macroscopic name="UO2"/>
+    </material>
+    <material id="2" name="Water">
+      <density value="1.0" units="macro"/>
+      <macroscopic name="LWTR"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" name="fuel inner a" material="1" region="-2" density="2.0 2.0 2.0 2.0 2.0 2.0 2.0 2.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0" universe="1"/>
+    <cell id="2" name="fuel inner b" material="1" region="2 -3" density="2.0 2.0 2.0 2.0 2.0 2.0 2.0 2.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0" universe="1"/>
+    <cell id="3" name="fuel inner c" material="1" region="3 -1" density="2.0 2.0 2.0 2.0 2.0 2.0 2.0 2.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0" universe="1"/>
+    <cell id="4" name="moderator inner a" material="2" region="1 -4" universe="1"/>
+    <cell id="5" name="moderator outer b" material="2" region="4 -5" universe="1"/>
+    <cell id="6" name="moderator outer c" material="2" region="5" universe="1"/>
+    <cell id="7" name="azimuthal_cell_0" fill="1" region="6 -7" universe="2"/>
+    <cell id="8" name="azimuthal_cell_1" fill="1" region="7 -8" universe="2"/>
+    <cell id="9" name="azimuthal_cell_2" fill="1" region="8 -9" universe="2"/>
+    <cell id="10" name="azimuthal_cell_3" fill="1" region="9 -10" universe="2"/>
+    <cell id="11" name="azimuthal_cell_4" fill="1" region="10 -11" universe="2"/>
+    <cell id="12" name="azimuthal_cell_5" fill="1" region="11 -12" universe="2"/>
+    <cell id="13" name="azimuthal_cell_6" fill="1" region="12 -13" universe="2"/>
+    <cell id="14" name="azimuthal_cell_7" fill="1" region="13 -6" universe="2"/>
+    <cell id="15" name="moderator infinite" material="2" universe="3"/>
+    <cell id="16" fill="4" universe="5"/>
+    <cell id="17" name="assembly" fill="6" region="14 -15 16 -17" universe="7"/>
+    <lattice id="4">
+      <pitch>0.126 0.126</pitch>
+      <dimension>10 10</dimension>
+      <lower_left>-0.63 -0.63</lower_left>
+      <universes>
+3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 </universes>
+    </lattice>
+    <lattice id="6">
+      <pitch>1.26 1.26</pitch>
+      <dimension>2 2</dimension>
+      <lower_left>-1.26 -1.26</lower_left>
+      <universes>
+2 2 
+2 5 </universes>
+    </lattice>
+    <surface id="1" name="Fuel OR" type="z-cylinder" coeffs="0.0 0.0 0.54"/>
+    <surface id="2" name="inner ring a" type="z-cylinder" coeffs="0.0 0.0 0.33"/>
+    <surface id="3" name="inner ring b" type="z-cylinder" coeffs="0.0 0.0 0.45"/>
+    <surface id="4" name="outer ring a" type="z-cylinder" coeffs="0.0 0.0 0.6"/>
+    <surface id="5" name="outer ring b" type="z-cylinder" coeffs="0.0 0.0 0.69"/>
+    <surface id="6" type="plane" coeffs="-0.0 1.0 0 0"/>
+    <surface id="7" type="plane" coeffs="-0.7071067811865475 0.7071067811865476 0 0"/>
+    <surface id="8" type="plane" coeffs="-1.0 6.123233995736766e-17 0 0"/>
+    <surface id="9" type="plane" coeffs="-0.7071067811865476 -0.7071067811865475 0 0"/>
+    <surface id="10" type="plane" coeffs="-1.2246467991473532e-16 -1.0 0 0"/>
+    <surface id="11" type="plane" coeffs="0.7071067811865475 -0.7071067811865477 0 0"/>
+    <surface id="12" type="plane" coeffs="1.0 -1.8369701987210297e-16 0 0"/>
+    <surface id="13" type="plane" coeffs="0.7071067811865477 0.7071067811865474 0 0"/>
+    <surface id="14" name="minimum x" type="x-plane" boundary="reflective" coeffs="-1.26"/>
+    <surface id="15" name="maximum x" type="x-plane" boundary="reflective" coeffs="1.26"/>
+    <surface id="16" name="minimum y" type="y-plane" boundary="reflective" coeffs="-1.26"/>
+    <surface id="17" name="maximum y" type="y-plane" boundary="reflective" coeffs="1.26"/>
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>10</batches>
+    <inactive>5</inactive>
+    <energy_mode>multi-group</energy_mode>
+    <random_ray>
+      <distance_active>100.0</distance_active>
+      <distance_inactive>20.0</distance_inactive>
+      <source type="independent" strength="1.0" particle="neutron">
+        <space type="box">
+          <parameters>-1.26 -1.26 -1 1.26 1.26 1</parameters>
+        </space>
+      </source>
+      <volume_normalized_flux_tallies>true</volume_normalized_flux_tallies>
+    </random_ray>
+  </settings>
+  <tallies>
+    <mesh id="1">
+      <dimension>2 2</dimension>
+      <lower_left>-1.26 -1.26</lower_left>
+      <upper_right>1.26 1.26</upper_right>
+    </mesh>
+    <filter id="1" type="mesh">
+      <bins>1</bins>
+    </filter>
+    <filter id="2" type="energy">
+      <bins>1e-05 0.0635 10.0 100.0 1000.0 500000.0 1000000.0 20000000.0</bins>
+    </filter>
+    <tally id="1" name="Mesh tally">
+      <filters>1 2</filters>
+      <scores>flux fission nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/random_ray_cell_density/eigen/results_true.dat b/tests/regression_tests/random_ray_cell_density/eigen/results_true.dat
new file mode 100644
index 000000000..3e6ce4039
--- /dev/null
+++ b/tests/regression_tests/random_ray_cell_density/eigen/results_true.dat
@@ -0,0 +1,171 @@
+k-combined:
+7.606488E-01 9.025978E-03
+tally 1:
+6.209503E-01
+7.732732E-02
+4.335729E-01
+3.769026E-02
+1.055230E+00
+2.232538E-01
+4.077492E-01
+3.335434E-02
+1.188353E-01
+2.833644E-03
+2.892214E-01
+1.678476E-02
+2.715245E-01
+1.488194E-02
+1.736084E-02
+6.079207E-05
+4.225281E-02
+3.600946E-04
+3.700491E-01
+2.796457E-02
+2.369715E-02
+1.145314E-04
+5.767413E-02
+6.784132E-04
+1.223083E+00
+3.058118E-01
+2.790791E-02
+1.593458E-04
+6.792309E-02
+9.438893E-04
+4.095779E+00
+3.377358E+00
+1.251201E-02
+3.153331E-05
+3.096010E-02
+1.930723E-04
+2.608638E+00
+1.361111E+00
+7.059742E-02
+9.968342E-04
+1.963632E-01
+7.711968E-03
+1.164050E+00
+2.710289E-01
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+5.325486E-01
+5.675375E-02
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+3.058117E-01
+1.905099E-02
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+4.645650E-01
+4.428410E-02
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+1.350036E+00
+3.718611E-01
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+3.538916E+00
+2.521670E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+2.201812E+00
+9.698678E-01
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+6.776093E-01
+9.211106E-02
+2.527022E-01
+1.280619E-02
+6.150266E-01
+7.585593E-02
+4.194143E-01
+3.528585E-02
+6.303447E-02
+7.972233E-04
+1.534133E-01
+4.722259E-03
+2.743408E-01
+1.520611E-02
+8.961769E-03
+1.621446E-05
+2.181115E-02
+9.604444E-05
+3.871710E-01
+3.063162E-02
+1.288801E-02
+3.392550E-05
+3.136683E-02
+2.009537E-04
+1.259769E+00
+3.241545E-01
+1.478360E-02
+4.466102E-05
+3.598077E-02
+2.645508E-04
+4.032169E+00
+3.273866E+00
+6.215187E-03
+7.776862E-06
+1.537904E-02
+4.761620E-05
+2.583647E+00
+1.335275E+00
+3.533526E-02
+2.498005E-04
+9.828323E-02
+1.932572E-03
+7.851145E-01
+1.234783E-01
+2.966638E-01
+1.763751E-02
+7.220204E-01
+1.044737E-01
+4.505673E-01
+4.067697E-02
+6.823342E-02
+9.332472E-04
+1.660665E-01
+5.527980E-03
+2.832534E-01
+1.626181E-02
+9.297014E-03
+1.749663E-05
+2.262707E-02
+1.036392E-04
+4.056699E-01
+3.370803E-02
+1.358439E-02
+3.774180E-05
+3.306168E-02
+2.235591E-04
+1.279744E+00
+3.345476E-01
+1.512005E-02
+4.668112E-05
+3.679962E-02
+2.765169E-04
+3.917888E+00
+3.090981E+00
+6.082371E-03
+7.449625E-06
+1.505040E-02
+4.561259E-05
+2.520906E+00
+1.271106E+00
+3.477796E-02
+2.419730E-04
+9.673314E-02
+1.872015E-03
diff --git a/tests/regression_tests/random_ray_cell_density/fs/inputs_true.dat b/tests/regression_tests/random_ray_cell_density/fs/inputs_true.dat
new file mode 100644
index 000000000..e90f25973
--- /dev/null
+++ b/tests/regression_tests/random_ray_cell_density/fs/inputs_true.dat
@@ -0,0 +1,244 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <cross_sections>mgxs.h5</cross_sections>
+    <material id="1" name="source">
+      <density value="1.0" units="macro"/>
+      <macroscopic name="source"/>
+    </material>
+    <material id="2" name="void">
+      <density value="1.0" units="macro"/>
+      <macroscopic name="void"/>
+    </material>
+    <material id="3" name="absorber">
+      <density value="1.0" units="macro"/>
+      <macroscopic name="absorber"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" name="infinite source region" material="1" density="1000.0" universe="1"/>
+    <cell id="2" name="infinite void region" material="2" universe="2"/>
+    <cell id="3" name="infinite absorber region" material="3" universe="3"/>
+    <cell id="4" fill="4" universe="5"/>
+    <cell id="5" name="full domain" fill="5" region="1 -2 3 -4 5 -6" universe="6"/>
+    <lattice id="4">
+      <pitch>2.5 2.5 2.5</pitch>
+      <dimension>12 12 12</dimension>
+      <lower_left>0.0 0.0 0.0</lower_left>
+      <universes>
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+1 1 2 2 2 2 2 2 2 2 3 3 
+1 1 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+1 1 2 2 2 2 2 2 2 2 3 3 
+1 1 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 </universes>
+    </lattice>
+    <surface id="1" type="x-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="2" type="x-plane" boundary="vacuum" coeffs="30.0"/>
+    <surface id="3" type="y-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="4" type="y-plane" boundary="vacuum" coeffs="30.0"/>
+    <surface id="5" type="z-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="6" type="z-plane" boundary="vacuum" coeffs="30.0"/>
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>90</particles>
+    <batches>10</batches>
+    <inactive>5</inactive>
+    <source type="independent" strength="3.14" particle="neutron">
+      <energy type="discrete">
+        <parameters>100.0 1.0</parameters>
+      </energy>
+      <constraints>
+        <domain_type>universe</domain_type>
+        <domain_ids>1</domain_ids>
+      </constraints>
+    </source>
+    <energy_mode>multi-group</energy_mode>
+    <random_ray>
+      <distance_active>500.0</distance_active>
+      <distance_inactive>100.0</distance_inactive>
+      <source type="independent" strength="1.0" particle="neutron">
+        <space type="box">
+          <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
+        </space>
+      </source>
+      <volume_normalized_flux_tallies>true</volume_normalized_flux_tallies>
+    </random_ray>
+  </settings>
+  <tallies>
+    <filter id="3" type="material">
+      <bins>1</bins>
+    </filter>
+    <filter id="2" type="material">
+      <bins>2</bins>
+    </filter>
+    <filter id="1" type="material">
+      <bins>3</bins>
+    </filter>
+    <tally id="3" name="Source Tally">
+      <filters>3</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="2" name="Void Tally">
+      <filters>2</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="1" name="Absorber Tally">
+      <filters>1</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/random_ray_cell_density/fs/results_true.dat b/tests/regression_tests/random_ray_cell_density/fs/results_true.dat
new file mode 100644
index 000000000..e12f476e0
--- /dev/null
+++ b/tests/regression_tests/random_ray_cell_density/fs/results_true.dat
@@ -0,0 +1,9 @@
+tally 1:
+6.203077E-01
+7.706659E-02
+tally 2:
+3.203448E-02
+2.058679E-04
+tally 3:
+2.091970E-03
+8.765168E-07
diff --git a/tests/regression_tests/random_ray_cell_density/test.py b/tests/regression_tests/random_ray_cell_density/test.py
new file mode 100644
index 000000000..cb6062cdc
--- /dev/null
+++ b/tests/regression_tests/random_ray_cell_density/test.py
@@ -0,0 +1,43 @@
+import os
+
+import openmc
+from openmc.examples import random_ray_lattice, random_ray_three_region_cube
+from openmc.utility_funcs import change_directory
+import pytest
+
+from tests.testing_harness import TolerantPyAPITestHarness
+
+
+class MGXSTestHarness(TolerantPyAPITestHarness):
+    def _cleanup(self):
+        super()._cleanup()
+        f = 'mgxs.h5'
+        if os.path.exists(f):
+            os.remove(f)
+
+
+@pytest.mark.parametrize("run_mode", ["eigen", "fs"])
+def test_random_ray_basic(run_mode):
+    with change_directory(run_mode):
+        if run_mode == "eigen":
+            openmc.reset_auto_ids()
+            model = random_ray_lattice()
+            # Double the densities of the lower-left fuel pin -> cell instances [0, 9).
+            for id, cell in model.geometry.get_all_cells().items():
+                if cell.fill.name == "UO2 fuel":
+                    cell.density = [((i < 8) + 1.0) for i in range(24)]
+
+            # Gold file was generated with manually scaled fuel cross sections.
+            harness = MGXSTestHarness('statepoint.10.h5', model)
+            harness.main()
+        else:
+            openmc.reset_auto_ids()
+            model = random_ray_three_region_cube()
+            # Increase the density in the source region.
+            for id, cell in model.geometry.get_all_cells().items():
+                if cell.fill.name == "source":
+                    cell.density = 1e3
+
+            # Gold file was generated with manually scaled source cross sections.
+            harness = MGXSTestHarness('statepoint.10.h5', model)
+            harness.main()

From 7861adf53b4728c6be7ce5583035f7e3c915af82 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 14 Jan 2026 14:29:24 -0500
Subject: [PATCH 2484/2654] Add git branching information to AGENTS.md (#3726)

---
 AGENTS.md | 18 ++++++++++++++++++
 1 file changed, 18 insertions(+)

diff --git a/AGENTS.md b/AGENTS.md
index 32e30213a..44962d1ad 100644
--- a/AGENTS.md
+++ b/AGENTS.md
@@ -31,6 +31,24 @@ C++17/Python codebase where:
 - **Depletion**: `openmc.deplete` implements burnup via operator-splitting with various integrators (Predictor, CECM, etc.)
 - **Nuclear Data**: `openmc.data` provides programmatic access to nuclear data files (ENDF, ACE, HDF5)
 
+## Git Branching Workflow
+
+OpenMC uses a git flow branching model with two primary branches:
+
+- **`develop` branch**: The main development branch where all ongoing development takes place. This is the **primary branch against which pull requests are submitted and merged**. This branch is not guaranteed to be stable and may contain work-in-progress features.
+- **`master` branch**: The stable release branch containing the latest stable release of OpenMC. This branch only receives merges from `develop` when the development team decides a release should occur.
+
+### Instructions for Code Review
+
+When analyzing code changes on a feature or bugfix branch (e.g., when a user asks "what do you think of these changes?"), **compare the branch changes against `develop`, not `master`**. Pull requests are submitted to merge into `develop`, so differences relative to `develop` represent the actual proposed changes. Comparing against `master` will include unrelated changes from other features that have already been merged to `develop`.
+
+### Workflow for contributors
+
+1. Create a feature/bugfix branch off `develop`
+2. Make changes and commit to the feature branch
+3. Open a pull request to merge the feature branch into `develop`
+4. A committer reviews and merges the PR into `develop`
+
 ## Critical Build & Test Workflows
 
 ### Build Dependencies

From 179048b80139c0e846e2d020c8379dcea850fb02 Mon Sep 17 00:00:00 2001
From: GuySten <62616591+GuySten@users.noreply.github.com>
Date: Thu, 15 Jan 2026 07:24:07 +0200
Subject: [PATCH 2485/2654] Skip tests on documentation-only changes (#3727)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 .github/workflows/ci.yml | 45 +++++++++++++++++++++++++++++++++++++---
 1 file changed, 42 insertions(+), 3 deletions(-)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index 6fc130947..580d409c5 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -1,4 +1,4 @@
-name: CI
+name: Tests and Coverage
 
 on:
   # allows us to run workflows manually
@@ -21,7 +21,25 @@ env:
   GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }}
 
 jobs:
+  filter-changes:
+    runs-on: ubuntu-latest
+    outputs:
+      source_changed: ${{ steps.filter.outputs.source_changed }}
+    steps:
+      - name: Check out the repository
+        uses: actions/checkout@v4
+      - name: Examine changed files
+        id: filter
+        uses: dorny/paths-filter@668c092af3649c4b664c54e4b704aa46782f6f7c # latest master commit, not released yet
+        with:
+          filters: |
+            source_changed:
+              - '!docs/**'
+              - '!**/*.md'
+          predicate-quantifier: 'every'
   main:
+    needs: filter-changes
+    if: ${{ needs.filter-changes.outputs.source_changed == 'true' }}
     runs-on: ubuntu-22.04
     strategy:
       matrix:
@@ -205,12 +223,33 @@ jobs:
           flag-name: C++ and Python
           path-to-lcov: coverage.lcov
 
-  finish:
-    needs: main
+  coverage:
+    needs: [filter-changes, main]
+    if: ${{ always() }}
     runs-on: ubuntu-latest
     steps:
       - name: Coveralls Finished
+        if: ${{ needs.filter-changes.outputs.source_changed == 'true' }}
         uses: coverallsapp/github-action@v2
         with:
           github-token: ${{ secrets.GITHUB_TOKEN }}
           parallel-finished: true
+
+  ci-pass:
+    needs: [filter-changes, main, coverage]
+    name: Check CI status
+    if: ${{ always() }}
+    runs-on: ubuntu-latest
+    steps:
+      - name: Check CI status
+        run: |
+          if [[ "${{ needs.filter-changes.outputs.source_changed }}" == "false" ]]; then
+            echo "Documentation-only change - CI skipped successfully"
+            exit 0
+          fi
+          if [[ "${{ needs.main.result }}" == "success" && "${{ needs.coverage.result }}" == "success" ]]; then
+            echo "CI passed"
+            exit 0
+          fi
+          echo "CI failed"
+          exit 1

From 51ea89ccc8cff49b6e4166ee620728b880150796 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 15 Jan 2026 22:23:35 -0600
Subject: [PATCH 2486/2654] Implement depth-awareness when enforcing precedence
 between union/intersection operators (#3730)

Co-authored-by: GuySten <guyste@post.bgu.ac.il>
---
 include/openmc/cell.h                |   6 +-
 src/cell.cpp                         | 102 +++++++++++++++------------
 tests/cpp_unit_tests/CMakeLists.txt  |   1 +
 tests/cpp_unit_tests/test_region.cpp | 101 ++++++++++++++++++++++++++
 4 files changed, 161 insertions(+), 49 deletions(-)
 create mode 100644 tests/cpp_unit_tests/test_region.cpp

diff --git a/include/openmc/cell.h b/include/openmc/cell.h
index 9dfe2339a..26c34ebd4 100644
--- a/include/openmc/cell.h
+++ b/include/openmc/cell.h
@@ -123,11 +123,11 @@ private:
   //! BoundingBox if the particle is in a complex cell.
   BoundingBox bounding_box_complex(vector<int32_t> postfix) const;
 
-  //! Enfource precedence: Parenthases, Complement, Intersection, Union
-  void add_precedence();
+  //! Enforce precedence between intersections and unions
+  void enforce_precedence();
 
   //! Add parenthesis to enforce precedence
-  int64_t add_parentheses(int64_t start);
+  void add_parentheses(int64_t start);
 
   //! Remove complement operators from the expression
   void remove_complement_ops();
diff --git a/src/cell.cpp b/src/cell.cpp
index aceed31ca..ebe28c3d2 100644
--- a/src/cell.cpp
+++ b/src/cell.cpp
@@ -660,7 +660,7 @@ Region::Region(std::string region_spec, int32_t cell_id)
       if (token == OP_UNION) {
         simple_ = false;
         // Ensure intersections have precedence over unions
-        add_precedence();
+        enforce_precedence();
         break;
       }
     }
@@ -703,7 +703,7 @@ void Region::apply_demorgan(
 //! precedence than unions using parentheses.
 //==============================================================================
 
-int64_t Region::add_parentheses(int64_t start)
+void Region::add_parentheses(int64_t start)
 {
   int32_t start_token = expression_[start];
   // Add left parenthesis and set new position to be after parenthesis
@@ -712,14 +712,6 @@ int64_t Region::add_parentheses(int64_t start)
   }
   expression_.insert(expression_.begin() + start - 1, OP_LEFT_PAREN);
 
-  // Keep track of return iterator distance. If we don't encounter a left
-  // parenthesis, we return an iterator corresponding to wherever the right
-  // parenthesis is inserted. If a left parenthesis is encountered, an iterator
-  // corresponding to the left parenthesis is returned. Also note that we keep
-  // track of a *distance* instead of an iterator because the underlying memory
-  // allocation may change.
-  std::size_t return_it_dist = 0;
-
   // Add right parenthesis
   // While the start iterator is within the bounds of infix
   while (start + 1 < expression_.size()) {
@@ -733,7 +725,6 @@ int64_t Region::add_parentheses(int64_t start)
       // in the region, when the operator is an intersection then include the
       // operator and next surface
       if (expression_[start] == OP_LEFT_PAREN) {
-        return_it_dist = start;
         int depth = 1;
         do {
           start++;
@@ -750,54 +741,73 @@ int64_t Region::add_parentheses(int64_t start)
           --start;
         }
         expression_.insert(expression_.begin() + start, OP_RIGHT_PAREN);
-        if (return_it_dist > 0) {
-          return return_it_dist;
-        } else {
-          return start - 1;
-        }
+        return;
       }
     }
   }
-  // If we get here a right parenthesis hasn't been placed,
-  // return iterator
+  // If we get here a right parenthesis hasn't been placed
   expression_.push_back(OP_RIGHT_PAREN);
-  if (return_it_dist > 0) {
-    return return_it_dist;
-  } else {
-    return start - 1;
-  }
 }
 
+//==============================================================================
+//! Add parentheses to enforce operator precedence in region expressions
+//!
+//! This function ensures that intersection operators have higher precedence
+//! than union operators by adding parentheses where needed. For example:
+//!   "1 2 | 3" becomes "(1 2) | 3"
+//!   "1 | 2 3" becomes "1 | (2 3)"
+//!
+//! The algorithm uses stacks to track the current operator type and its
+//! position at each parenthesis depth level. When it encounters a different
+//! operator at the same depth, it adds parentheses to group the
+//! higher-precedence operations.
 //==============================================================================
 
-void Region::add_precedence()
+void Region::enforce_precedence()
 {
-  int32_t current_op = 0;
-  std::size_t current_dist = 0;
+  // Stack tracking the operator type at each depth (0 = no operator seen yet)
+  vector<int32_t> op_stack = {0};
 
-  for (int64_t i = 0; i < expression_.size(); i++) {
+  // Stack tracking where the operator sequence started at each depth
+  vector<std::size_t> pos_stack = {0};
+
+  for (int64_t i = 0; i < expression_.size(); ++i) {
     int32_t token = expression_[i];
 
-    if (token == OP_UNION || token == OP_INTERSECTION) {
-      if (current_op == 0) {
-        // Set the current operator if is hasn't been set
-        current_op = token;
-        current_dist = i;
-      } else if (token != current_op) {
-        // If the current operator doesn't match the token, add parenthesis to
-        // assert precedence
-        if (current_op == OP_INTERSECTION) {
-          i = add_parentheses(current_dist);
-        } else {
-          i = add_parentheses(i);
-        }
-        current_op = 0;
-        current_dist = 0;
+    if (token == OP_LEFT_PAREN) {
+      // Entering a new parenthesis level - push new tracking state
+      op_stack.push_back(0);
+      pos_stack.push_back(0);
+      continue;
+    } else if (token == OP_RIGHT_PAREN) {
+      // Exiting a parenthesis level - pop tracking state (keep at least one)
+      if (op_stack.size() > 1) {
+        op_stack.pop_back();
+        pos_stack.pop_back();
+      }
+      continue;
+    }
+
+    if (token == OP_UNION || token == OP_INTERSECTION) {
+      if (op_stack.back() == 0) {
+        // First operator at this depth - record it and its position
+        op_stack.back() = token;
+        pos_stack.back() = i;
+      } else if (token != op_stack.back()) {
+        // Encountered a different operator at the same depth - need to add
+        // parentheses to enforce precedence. Intersection has higher
+        // precedence, so we parenthesize the intersection terms.
+        if (op_stack.back() == OP_INTERSECTION) {
+          add_parentheses(pos_stack.back());
+        } else {
+          add_parentheses(i);
+        }
+
+        // Restart the scan since we modified the expression
+        i = -1; // Will be incremented to 0 by the for loop
+        op_stack = {0};
+        pos_stack = {0};
       }
-    } else if (token > OP_COMPLEMENT) {
-      // If the token is a parenthesis reset the current operator
-      current_op = 0;
-      current_dist = 0;
     }
   }
 }
diff --git a/tests/cpp_unit_tests/CMakeLists.txt b/tests/cpp_unit_tests/CMakeLists.txt
index 5f87db9ea..20341b420 100644
--- a/tests/cpp_unit_tests/CMakeLists.txt
+++ b/tests/cpp_unit_tests/CMakeLists.txt
@@ -6,6 +6,7 @@ set(TEST_NAMES
   test_math
   test_mcpl_stat_sum
   test_mesh
+  test_region
   # Add additional unit test files here
 )
 
diff --git a/tests/cpp_unit_tests/test_region.cpp b/tests/cpp_unit_tests/test_region.cpp
new file mode 100644
index 000000000..b3d9a1427
--- /dev/null
+++ b/tests/cpp_unit_tests/test_region.cpp
@@ -0,0 +1,101 @@
+#include <catch2/catch_test_macros.hpp>
+
+#include "openmc/cell.h"
+#include "openmc/surface.h"
+
+#include <pugixml.hpp>
+
+namespace {
+
+// Helper class to set up and tear down test surfaces
+class SurfaceFixture {
+public:
+  SurfaceFixture()
+  {
+    pugi::xml_document doc;
+    pugi::xml_node surf_node = doc.append_child("surface");
+    surf_node.set_name("surface");
+    surf_node.append_attribute("id") = "0";
+    surf_node.append_attribute("type") = "x-plane";
+    surf_node.append_attribute("coeffs") = "1";
+
+    for (int i = 1; i < 10; ++i) {
+      surf_node.attribute("id") = i;
+      openmc::model::surfaces.push_back(
+        std::make_unique<openmc::SurfaceXPlane>(surf_node));
+      openmc::model::surface_map[i] = i - 1;
+    }
+  }
+
+  ~SurfaceFixture()
+  {
+    openmc::model::surfaces.clear();
+    openmc::model::surface_map.clear();
+  }
+};
+
+} // anonymous namespace
+
+TEST_CASE("Test region simplification")
+{
+  SurfaceFixture fixture;
+
+  SECTION("Original bug case from issue #3685")
+  {
+    // Input: "-1 2 (-3 4) | (-5 6)" was being incorrectly interpreted
+    auto region = openmc::Region("(-1 2 (-3 4) | (-5 6))", 0);
+    REQUIRE(region.str() == " ( ( -1 2 ( -3 4 ) ) | ( -5 6 ) )");
+  }
+
+  SECTION("Simple union - no extra parentheses needed")
+  {
+    auto region = openmc::Region("1 | 2", 0);
+    REQUIRE(region.str() == " 1 | 2");
+  }
+
+  SECTION("Intersection then union")
+  {
+    // Intersection should have higher precedence, so (1 2) grouped
+    auto region = openmc::Region("1 2 | 3", 0);
+    REQUIRE(region.str() == " ( 1 2 ) | 3");
+  }
+
+  SECTION("Union then intersection")
+  {
+    // The (2 3) intersection should be grouped
+    auto region = openmc::Region("1 | 2 3", 0);
+    REQUIRE(region.str() == " 1 | ( 2 3 )");
+  }
+
+  SECTION("Nested parentheses preserved")
+  {
+    // These parentheses are meaningful and should be preserved
+    auto region = openmc::Region("(1 | 2) (3 | 4)", 0);
+    REQUIRE(region.str() == " ( 1 | 2 ) ( 3 | 4 )");
+  }
+
+  SECTION("Deep nesting")
+  {
+    auto region = openmc::Region("((1 2) | (3 4)) 5", 0);
+    REQUIRE(region.str() == " ( ( 1 2 ) | ( 3 4 ) ) 5");
+  }
+
+  SECTION("Multiple unions")
+  {
+    auto region = openmc::Region("1 | 2 | 3", 0);
+    REQUIRE(region.str() == " 1 | 2 | 3");
+  }
+
+  SECTION("Multiple intersections")
+  {
+    auto region = openmc::Region("1 2 3", 0);
+    // Simple cell - no operators in output
+    REQUIRE(region.str() == " 1 2 3");
+  }
+
+  SECTION("Complex mixed expression")
+  {
+    auto region = openmc::Region("1 2 | 3 4 | 5 6", 0);
+    REQUIRE(region.str() == " ( 1 2 ) | ( 3 4 ) | ( 5 6 )");
+  }
+}

From 5847b0de23eaf152cb5078801ee13cad2d2cc015 Mon Sep 17 00:00:00 2001
From: Kevin Sawatzky <66632997+nuclearkevin@users.noreply.github.com>
Date: Fri, 16 Jan 2026 22:01:37 -0600
Subject: [PATCH 2487/2654] Block restriction of libMesh unstructured mesh
 tallies (#3694)

---
 include/openmc/mesh.h | 23 ++++++++++-----
 src/mesh.cpp          | 67 ++++++++++++++++++++++++++++++++++---------
 2 files changed, 70 insertions(+), 20 deletions(-)

diff --git a/include/openmc/mesh.h b/include/openmc/mesh.h
index 7ceb623da..2936d3ab1 100644
--- a/include/openmc/mesh.h
+++ b/include/openmc/mesh.h
@@ -4,6 +4,7 @@
 #ifndef OPENMC_MESH_H
 #define OPENMC_MESH_H
 
+#include <set>
 #include <unordered_map>
 
 #include "hdf5.h"
@@ -969,7 +970,7 @@ public:
 
   Position sample_element(int32_t bin, uint64_t* seed) const override;
 
-  int get_bin(Position r) const override;
+  virtual int get_bin(Position r) const override;
 
   int n_bins() const override;
 
@@ -1007,16 +1008,21 @@ public:
 
 protected:
   // Methods
-
   //! Translate a bin value to an element reference
   virtual const libMesh::Elem& get_element_from_bin(int bin) const;
 
   //! Translate an element pointer to a bin index
   virtual int get_bin_from_element(const libMesh::Elem* elem) const;
 
+  // Data members
   libMesh::MeshBase* m_; //!< pointer to libMesh MeshBase instance, always set
                          //!< during intialization
+  vector<unique_ptr<libMesh::PointLocatorBase>>
+    pl_;                      //!< per-thread point locators
+  libMesh::BoundingBox bbox_; //!< bounding box of the mesh
+
 private:
+  // Methods
   void initialize() override;
   void set_mesh_pointer_from_filename(const std::string& filename);
   void build_eqn_sys();
@@ -1025,8 +1031,6 @@ private:
   unique_ptr<libMesh::MeshBase> unique_m_ =
     nullptr; //!< pointer to the libMesh MeshBase instance, only used if mesh is
              //!< created inside OpenMC
-  vector<unique_ptr<libMesh::PointLocatorBase>>
-    pl_; //!< per-thread point locators
   unique_ptr<libMesh::EquationSystems>
     equation_systems_; //!< pointer to the libMesh EquationSystems
                        //!< instance
@@ -1035,7 +1039,6 @@ private:
   std::unordered_map<std::string, unsigned int>
     variable_map_; //!< mapping of variable names (tally scores) to libMesh
                    //!< variable numbers
-  libMesh::BoundingBox bbox_; //!< bounding box of the mesh
   libMesh::dof_id_type
     first_element_id_; //!< id of the first element in the mesh
 };
@@ -1043,8 +1046,9 @@ private:
 class AdaptiveLibMesh : public LibMesh {
 public:
   // Constructor
-  AdaptiveLibMesh(
-    libMesh::MeshBase& input_mesh, double length_multiplier = 1.0);
+  AdaptiveLibMesh(libMesh::MeshBase& input_mesh, double length_multiplier = 1.0,
+    const std::set<libMesh::subdomain_id_type>& block_ids =
+      std::set<libMesh::subdomain_id_type>());
 
   // Overridden methods
   int n_bins() const override;
@@ -1056,6 +1060,8 @@ public:
 
   void write(const std::string& filename) const override;
 
+  int get_bin(Position r) const override;
+
 protected:
   // Overridden methods
   int get_bin_from_element(const libMesh::Elem* elem) const override;
@@ -1064,6 +1070,9 @@ protected:
 
 private:
   // Data members
+  const std::set<libMesh::subdomain_id_type>
+    block_ids_;               //!< subdomains of the mesh to tally on
+  const bool block_restrict_; //!< whether a subset of the mesh is being used
   const libMesh::dof_id_type num_active_; //!< cached number of active elements
 
   std::vector<libMesh::dof_id_type>
diff --git a/src/mesh.cpp b/src/mesh.cpp
index 9a7a8e751..6ee15b9c1 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -3485,9 +3485,6 @@ void LibMesh::initialize()
   // assuming that unstructured meshes used in OpenMC are 3D
   n_dimension_ = 3;
 
-  if (length_multiplier_ > 0.0) {
-    libMesh::MeshTools::Modification::scale(*m_, length_multiplier_);
-  }
   // if OpenMC is managing the libMesh::MeshBase instance, prepare the mesh.
   // Otherwise assume that it is prepared by its owning application
   if (unique_m_) {
@@ -3537,7 +3534,11 @@ Position LibMesh::centroid(int bin) const
 {
   const auto& elem = this->get_element_from_bin(bin);
   auto centroid = elem.vertex_average();
-  return {centroid(0), centroid(1), centroid(2)};
+  if (length_multiplier_ > 0.0) {
+    return length_multiplier_ * Position(centroid(0), centroid(1), centroid(2));
+  } else {
+    return {centroid(0), centroid(1), centroid(2)};
+  }
 }
 
 int LibMesh::n_vertices() const
@@ -3548,7 +3549,11 @@ int LibMesh::n_vertices() const
 Position LibMesh::vertex(int vertex_id) const
 {
   const auto node_ref = m_->node_ref(vertex_id);
-  return {node_ref(0), node_ref(1), node_ref(2)};
+  if (length_multiplier_ > 0.0) {
+    return length_multiplier_ * Position(node_ref(0), node_ref(1), node_ref(2));
+  } else {
+    return {node_ref(0), node_ref(1), node_ref(2)};
+  }
 }
 
 std::vector<int> LibMesh::connectivity(int elem_id) const
@@ -3689,6 +3694,11 @@ int LibMesh::get_bin(Position r) const
   // look-up a tet using the point locator
   libMesh::Point p(r.x, r.y, r.z);
 
+  if (length_multiplier_ > 0.0) {
+    // Scale the point down
+    p /= length_multiplier_;
+  }
+
   // quick rejection check
   if (!bbox_.contains_point(p)) {
     return -1;
@@ -3722,22 +3732,32 @@ const libMesh::Elem& LibMesh::get_element_from_bin(int bin) const
 
 double LibMesh::volume(int bin) const
 {
-  return this->get_element_from_bin(bin).volume();
+  return this->get_element_from_bin(bin).volume() * length_multiplier_ *
+         length_multiplier_ * length_multiplier_;
 }
 
-AdaptiveLibMesh::AdaptiveLibMesh(
-  libMesh::MeshBase& input_mesh, double length_multiplier)
-  : LibMesh(input_mesh, length_multiplier), num_active_(m_->n_active_elem())
+AdaptiveLibMesh::AdaptiveLibMesh(libMesh::MeshBase& input_mesh,
+  double length_multiplier,
+  const std::set<libMesh::subdomain_id_type>& block_ids)
+  : LibMesh(input_mesh, length_multiplier), block_ids_(block_ids),
+    block_restrict_(!block_ids_.empty()),
+    num_active_(
+      block_restrict_
+        ? std::distance(m_->active_subdomain_set_elements_begin(block_ids_),
+            m_->active_subdomain_set_elements_end(block_ids_))
+        : m_->n_active_elem())
 {
   // if the mesh is adaptive elements aren't guaranteed by libMesh to be
   // contiguous in ID space, so we need to map from bin indices (defined over
   // active elements) to global dof ids
   bin_to_elem_map_.reserve(num_active_);
   elem_to_bin_map_.resize(m_->n_elem(), -1);
-  for (auto it = m_->active_elements_begin(); it != m_->active_elements_end();
-       it++) {
-    auto elem = *it;
-
+  auto begin = block_restrict_
+                 ? m_->active_subdomain_set_elements_begin(block_ids_)
+                 : m_->active_elements_begin();
+  auto end = block_restrict_ ? m_->active_subdomain_set_elements_end(block_ids_)
+                             : m_->active_elements_end();
+  for (const auto& elem : libMesh::as_range(begin, end)) {
     bin_to_elem_map_.push_back(elem->id());
     elem_to_bin_map_[elem->id()] = bin_to_elem_map_.size() - 1;
   }
@@ -3770,6 +3790,27 @@ void AdaptiveLibMesh::write(const std::string& filename) const
     this->id_));
 }
 
+int AdaptiveLibMesh::get_bin(Position r) const
+{
+  // look-up a tet using the point locator
+  libMesh::Point p(r.x, r.y, r.z);
+
+  if (length_multiplier_ > 0.0) {
+    // Scale the point down
+    p /= length_multiplier_;
+  }
+
+  // quick rejection check
+  if (!bbox_.contains_point(p)) {
+    return -1;
+  }
+
+  const auto& point_locator = pl_.at(thread_num());
+
+  const auto elem_ptr = (*point_locator)(p, &block_ids_);
+  return elem_ptr ? get_bin_from_element(elem_ptr) : -1;
+}
+
 int AdaptiveLibMesh::get_bin_from_element(const libMesh::Elem* elem) const
 {
   int bin = elem_to_bin_map_[elem->id()];

From 2691ff8a0f843b6afb52b0b165f05436f08bc03e Mon Sep 17 00:00:00 2001
From: GuySten <62616591+GuySten@users.noreply.github.com>
Date: Wed, 21 Jan 2026 16:33:30 +0200
Subject: [PATCH 2488/2654] Fix type hinting and simplify implementation of
 combine_distributions (#3445)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/stats/univariate.py     | 49 +++++++++++++++++-----------------
 tests/unit_tests/test_stats.py | 17 +++++++++++-
 2 files changed, 40 insertions(+), 26 deletions(-)

diff --git a/openmc/stats/univariate.py b/openmc/stats/univariate.py
index 272367f6f..94258c833 100644
--- a/openmc/stats/univariate.py
+++ b/openmc/stats/univariate.py
@@ -397,7 +397,7 @@ class Discrete(Univariate):
     def merge(
         cls,
         dists: Sequence[Discrete],
-        probs: Sequence[int]
+        probs: Sequence[float]
     ):
         """Merge multiple discrete distributions into a single distribution
 
@@ -1897,7 +1897,7 @@ class Mixture(Univariate):
 
 
 def combine_distributions(
-    dists: Sequence[Univariate],
+    dists: Sequence[Discrete | Tabular],
     probs: Sequence[float]
 ):
     """Combine distributions with specified probabilities
@@ -1912,41 +1912,40 @@ def combine_distributions(
 
     Parameters
     ----------
-    dists : iterable of openmc.stats.Univariate
+    dists : sequence of openmc.stats.Discrete or openmc.stats.Tabular
         Distributions to combine
-    probs : iterable of float
+    probs : sequence of float
         Probability (or intensity) of each distribution
 
     """
-    # Get copy of distribution list so as not to modify the argument
-    dist_list = deepcopy(dists)
+    for i, dist in enumerate(dists):
+        cv.check_type(f'dists[{i}]', dist, (Discrete, Tabular))
+        cv.check_type(f'probs[{i}]', probs[i], Real)
+        cv.check_greater_than(f'probs[{i}]', probs[i], 0.0)
 
     # Get list of discrete/continuous distribution indices
-    discrete_index = [i for i, d in enumerate(dist_list) if isinstance(d, Discrete)]
-    cont_index = [i for i, d in enumerate(dist_list) if isinstance(d, Tabular)]
+    discrete_index = [i for i, d in enumerate(dists) if isinstance(d, Discrete)]
+    cont_index = [i for i, d in enumerate(dists) if isinstance(d, Tabular)]
 
-    # Apply probabilites to continuous distributions
-    for i in cont_index:
-        dist = dist_list[i]
-        dist._p *= probs[i]
+    cont_dists = [dists[i] for i in cont_index]
+    cont_probs = [probs[i] for i in cont_index]
 
     if discrete_index:
         # Create combined discrete distribution
-        dist_discrete = [dist_list[i] for i in discrete_index]
+        dist_discrete = [dists[i] for i in discrete_index]
         discrete_probs = [probs[i] for i in discrete_index]
         combined_dist = Discrete.merge(dist_discrete, discrete_probs)
-
-        # Replace multiple discrete distributions with merged
-        for idx in reversed(discrete_index):
-            dist_list.pop(idx)
-        dist_list.append(combined_dist)
-
-    # Combine discrete and continuous if present
-    if len(dist_list) > 1:
-        probs = [1.0]*len(dist_list)
-        dist_list[:] = [Mixture(probs, dist_list.copy())]
-
-    return dist_list[0]
+        if cont_index:
+            return Mixture(cont_probs + [1.0], cont_dists + [combined_dist])
+        else:
+            return combined_dist
+    else:
+        if len(cont_dists) == 1:
+            dist = cont_dists[0]
+            return Tabular(dist.x, dist.p * cont_probs[0],
+                           dist.interpolation, bias=dist.bias)
+        else:
+            return Mixture(cont_probs, cont_dists)
 
 
 def check_bias_support(parent: Univariate, bias: Univariate | None):
diff --git a/tests/unit_tests/test_stats.py b/tests/unit_tests/test_stats.py
index e92e9e135..507e85743 100644
--- a/tests/unit_tests/test_stats.py
+++ b/tests/unit_tests/test_stats.py
@@ -633,12 +633,27 @@ def test_combine_distributions():
     assert len(mixed.distribution) == 2
     assert len(mixed.probability) == 2
 
+    # Single tabular returns a tabular distribution with scaled probabilities
+    t_single = openmc.stats.Tabular([0.0, 1.0], [2.0, 0.0])
+    scaled = openmc.stats.combine_distributions([t_single], [0.25])
+    assert isinstance(scaled, openmc.stats.Tabular)
+    assert scaled.p == pytest.approx([0.5, 0.0])
+
+    # Mixture with biased tabular should preserve unbiased mean via weights
+    bias = openmc.stats.Tabular([0.0, 1.0], [2.0, 0.0])
+    t_biased = openmc.stats.Tabular([0.0, 1.0], [1.0, 1.0], bias=bias)
+    d1 = openmc.stats.delta_function(0.0)
+    mixed = openmc.stats.combine_distributions([t_biased, d1], [0.5, 0.5])
+    assert isinstance(mixed, openmc.stats.Mixture)
+    samples, weights = mixed.sample(10_000)
+    assert_sample_mean(samples*weights, 0.25)
+
     # Combine 1 discrete and 2 tabular -- the tabular distributions should
     # combine to produce a uniform distribution with mean 0.5. The combined
     # distribution should have a mean of 0.25.
     t1 = openmc.stats.Tabular([0., 1.], [2.0, 0.0])
     t2 = openmc.stats.Tabular([0., 1.], [0.0, 2.0])
-    d1 = openmc.stats.Discrete([0.0], [1.0])
+    d1 = openmc.stats.delta_function(0.0)
     combined = openmc.stats.combine_distributions([t1, t2, d1], [0.25, 0.25, 0.5])
     assert combined.integral() == pytest.approx(1.0)
 

From c5df2bf621ffdd3eee9f07334563c78293fa9519 Mon Sep 17 00:00:00 2001
From: GuySten <62616591+GuySten@users.noreply.github.com>
Date: Thu, 22 Jan 2026 05:57:40 +0200
Subject: [PATCH 2489/2654] Fix for pandas version 3 (#3743)

---
 openmc/data/photon.py | 4 +++-
 openmc/tallies.py     | 2 +-
 2 files changed, 4 insertions(+), 2 deletions(-)

diff --git a/openmc/data/photon.py b/openmc/data/photon.py
index 25ded24cb..bc21b2e56 100644
--- a/openmc/data/photon.py
+++ b/openmc/data/photon.py
@@ -203,7 +203,9 @@ class AtomicRelaxation(EqualityMixin):
         for subshell, df in transitions.items():
             cv.check_value('subshell', subshell, _SUBSHELLS)
             cv.check_type('transitions', df, pd.DataFrame)
-        self._transitions = transitions
+        self._transitions = {
+            subshell: df.convert_dtypes() for subshell, df in transitions.items()
+        }
 
     @classmethod
     def from_ace(cls, ace):
diff --git a/openmc/tallies.py b/openmc/tallies.py
index 7b1ef0219..74d4722af 100644
--- a/openmc/tallies.py
+++ b/openmc/tallies.py
@@ -1982,7 +1982,7 @@ class Tally(IDManagerMixin):
 
         # Expand the columns into Pandas MultiIndices for readability
         if pd.__version__ >= '0.16':
-            columns = copy.deepcopy(df.columns.values)
+            columns = copy.deepcopy(list(df.columns.values))
 
             # Convert all elements in columns list to tuples
             for i, column in enumerate(columns):

From 6b43a298f4dd6d252e61db81a95dca33f5a83428 Mon Sep 17 00:00:00 2001
From: GuySten <62616591+GuySten@users.noreply.github.com>
Date: Thu, 22 Jan 2026 17:04:30 +0200
Subject: [PATCH 2490/2654] Add n_elements to the MeshBase protocol and
 deprecate num_mesh_cells (#3745)

---
 openmc/mesh.py                                | 36 +++++++++++++++++--
 openmc/source.py                              |  4 +--
 tests/unit_tests/mesh_to_vtk/test_vtk_dims.py |  4 +--
 3 files changed, 37 insertions(+), 7 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index ce5218b5e..12e879810 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -153,11 +153,17 @@ class MeshBase(IDManagerMixin, ABC):
         Unique identifier for the mesh
     name : str
         Name of the mesh
+    lower_left : Iterable of float
+        The lower-left coordinates
+    upper_right : Iterable of float
+        The upper-right coordinates
     bounding_box : openmc.BoundingBox
         Axis-aligned bounding box of the mesh as defined by the upper-right and
         lower-left coordinates.
     indices : Iterable of tuple
         An iterable of mesh indices for each mesh element, e.g. [(1, 1, 1), (2, 1, 1), ...]
+    n_elements : int
+        Number of elements in the mesh
     """
 
     next_id = 1
@@ -179,6 +185,16 @@ class MeshBase(IDManagerMixin, ABC):
             self._name = name
         else:
             self._name = ''
+            
+    @property
+    @abstractmethod
+    def lower_left(self):
+        pass
+        
+    @property
+    @abstractmethod
+    def upper_right(self):
+        pass
 
     @property
     def bounding_box(self) -> openmc.BoundingBox:
@@ -188,6 +204,11 @@ class MeshBase(IDManagerMixin, ABC):
     @abstractmethod
     def indices(self):
         pass
+        
+    @property
+    @abstractmethod
+    def n_elements(self):
+        pass
 
     def __repr__(self):
         string = type(self).__name__ + '\n'
@@ -557,10 +578,19 @@ class StructuredMesh(MeshBase):
         s0 = (slice(0, -1),)*ndim + (slice(None),)
         s1 = (slice(1, None),)*ndim + (slice(None),)
         return (vertices[s0] + vertices[s1]) / 2
+    
+    @property
+    def n_elements(self):
+        return np.prod(self.dimension)
 
     @property
     def num_mesh_cells(self):
-        return np.prod(self.dimension)
+        warnings.warn(
+            "The 'num_mesh_cells' attribute is deprecated and will be removed in a future version. "
+            "Use 'n_elements' instead.",
+            FutureWarning, stacklevel=2
+        )
+        return self.n_elements
 
     def write_data_to_vtk(self,
                           filename: PathLike,
@@ -822,10 +852,10 @@ class StructuredMesh(MeshBase):
         """
         cv.check_type('data label', label, str)
 
-        if dataset.size != self.num_mesh_cells:
+        if dataset.size != self.n_elements:
             raise ValueError(
                 f"The size of the dataset '{label}' ({dataset.size}) should be"
-                f" equal to the number of mesh cells ({self.num_mesh_cells})"
+                f" equal to the number of mesh cells ({self.n_elements})"
             )
 
         # accept a flat array as-is, assuming it is in the correct order
diff --git a/openmc/source.py b/openmc/source.py
index 84d8a9619..5acf55c21 100644
--- a/openmc/source.py
+++ b/openmc/source.py
@@ -572,10 +572,10 @@ class MeshSource(SourceBase):
         s = np.asarray(s)
 
         if isinstance(self.mesh, StructuredMesh):
-            if s.size != self.mesh.num_mesh_cells:
+            if s.size != self.mesh.n_elements:
                 raise ValueError(
                     f'The length of the source array ({s.size}) does not match '
-                    f'the number of mesh elements ({self.mesh.num_mesh_cells}).')
+                    f'the number of mesh elements ({self.mesh.n_elements}).')
 
             # If user gave a multidimensional array, flatten in the order
             # of the mesh indices
diff --git a/tests/unit_tests/mesh_to_vtk/test_vtk_dims.py b/tests/unit_tests/mesh_to_vtk/test_vtk_dims.py
index 8166ba68c..366ce18ef 100644
--- a/tests/unit_tests/mesh_to_vtk/test_vtk_dims.py
+++ b/tests/unit_tests/mesh_to_vtk/test_vtk_dims.py
@@ -131,7 +131,7 @@ def test_write_data_to_vtk_size_mismatch(mesh):
     mesh : openmc.StructuredMesh
         The mesh to test
     """
-    right_size = mesh.num_mesh_cells
+    right_size = mesh.n_elements
     data = np.random.random(right_size + 1)
 
     # Error message has \ in to escape characters that are otherwise recognized
@@ -139,7 +139,7 @@ def test_write_data_to_vtk_size_mismatch(mesh):
     # string when using the match argument as that uses regular expression
     expected_error_msg = (
         fr"The size of the dataset 'label' \({len(data)}\) should be equal to "
-        fr"the number of mesh cells \({mesh.num_mesh_cells}\)"
+        fr"the number of mesh cells \({mesh.n_elements}\)"
     )
     with pytest.raises(ValueError, match=expected_error_msg):
         mesh.write_data_to_vtk(filename="out.vtk", datasets={"label": data})

From 049a852e52510c11cc5e1a7a8ddb3c58e393c910 Mon Sep 17 00:00:00 2001
From: Olek <45364492+yardasol@users.noreply.github.com>
Date: Thu, 22 Jan 2026 15:21:47 -0600
Subject: [PATCH 2491/2654] Random Ray main function and autosetup refactoring
 (#3733)

---
 .../openmc/random_ray/random_ray_simulation.h |  14 +-
 openmc/model/model.py                         | 227 +++++++-----------
 src/random_ray/random_ray_simulation.cpp      | 167 +++++++------
 3 files changed, 193 insertions(+), 215 deletions(-)

diff --git a/include/openmc/random_ray/random_ray_simulation.h b/include/openmc/random_ray/random_ray_simulation.h
index 3dec48bf2..3db651069 100644
--- a/include/openmc/random_ray/random_ray_simulation.h
+++ b/include/openmc/random_ray/random_ray_simulation.h
@@ -19,9 +19,9 @@ public:
 
   //----------------------------------------------------------------------------
   // Methods
-  void compute_segment_correction_factors();
   void apply_fixed_sources_and_mesh_domains();
   void prepare_fixed_sources_adjoint();
+  void prepare_adjoint_simulation();
   void simulate();
   void output_simulation_results() const;
   void instability_check(
@@ -34,9 +34,15 @@ public:
   // Accessors
   FlatSourceDomain* domain() const { return domain_.get(); }
 
+  //----------------------------------------------------------------------------
+  // Public data members
+
+  // Flag for adjoint simulation;
+  bool adjoint_needed_;
+
 private:
   //----------------------------------------------------------------------------
-  // Data members
+  // Private data members
 
   // Contains all flat source region data
   unique_ptr<FlatSourceDomain> domain_;
@@ -51,6 +57,9 @@ private:
   // Number of energy groups
   int negroups_;
 
+  // Toggle for first simulation
+  bool is_first_simulation_;
+
 }; // class RandomRaySimulation
 
 //============================================================================
@@ -60,6 +69,7 @@ private:
 void openmc_run_random_ray();
 void validate_random_ray_inputs();
 void openmc_reset_random_ray();
+void print_adjoint_header();
 
 } // namespace openmc
 
diff --git a/openmc/model/model.py b/openmc/model/model.py
index 6e4c1c585..ca78f282f 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -1179,8 +1179,8 @@ class Model:
 
         # Convert ID map to RGB image
         img = id_map_to_rgb(
-            id_map=id_map, 
-            color_by=color_by, 
+            id_map=id_map,
+            color_by=color_by,
             colors=colors,
             overlap_color=overlap_color
         )
@@ -1217,7 +1217,7 @@ class Model:
                 extent=(x_min, x_max, y_min, y_max),
                 **contour_kwargs
             )
-            
+
             # If only showing outline, set the axis limits and aspect explicitly
             if outline == 'only':
                 axes.set_xlim(x_min, x_max)
@@ -1685,6 +1685,85 @@ class Model:
                 self.geometry.get_all_materials().values()
             )
 
+    def _auto_generate_mgxs_lib(
+        self,
+        model: openmc.model.model,
+        groups: openmc.mgxs.EnergyGroups,
+        correction: str | none,
+        directory: pathlike,
+    ) -> openmc.mgxs.Library:
+        """
+        Automatically generate a multi-group cross section libray from a model
+        with the specified group structure.
+
+        Parameters
+        ----------
+        groups : openmc.mgxs.EnergyGroups
+            Energy group structure for the MGXS.
+        nparticles : int
+            Number of particles to simulate per batch when generating MGXS.
+        mgxs_path : str
+            Filename for the MGXS HDF5 file.
+        correction : str
+            Transport correction to apply to the MGXS. Options are None and
+            "P0".
+        directory : str
+            Directory to run the simulation in, so as to contain XML files.
+
+        Returns
+        -------
+        mgxs_lib : openmc.mgxs.Library
+            OpenMC MGXS Library object
+        """
+
+        # Initialize MGXS library with a finished OpenMC geometry object
+        mgxs_lib = openmc.mgxs.Library(model.geometry)
+
+        # Pick energy group structure
+        mgxs_lib.energy_groups = groups
+
+        # Disable transport correction
+        mgxs_lib.correction = correction
+
+        # Specify needed cross sections for random ray
+        if correction == 'P0':
+            mgxs_lib.mgxs_types = [
+                'nu-transport', 'absorption', 'nu-fission', 'fission',
+                'consistent nu-scatter matrix', 'multiplicity matrix', 'chi'
+            ]
+        elif correction is None:
+            mgxs_lib.mgxs_types = [
+                'total', 'absorption', 'nu-fission', 'fission',
+                'consistent nu-scatter matrix', 'multiplicity matrix', 'chi'
+            ]
+
+        # Specify a "material" domain type for the cross section tally filters
+        mgxs_lib.domain_type = "material"
+
+        # Specify the domains over which to compute multi-group cross sections
+        mgxs_lib.domains = model.geometry.get_all_materials().values()
+
+        # Do not compute cross sections on a nuclide-by-nuclide basis
+        mgxs_lib.by_nuclide = False
+
+        # Check the library - if no errors are raised, then the library is satisfactory.
+        mgxs_lib.check_library_for_openmc_mgxs()
+
+        # Construct all tallies needed for the multi-group cross section library
+        mgxs_lib.build_library()
+
+        # Create a "tallies.xml" file for the MGXS Library
+        mgxs_lib.add_to_tallies(model.tallies, merge=True)
+
+        # Run
+        statepoint_filename = model.run(cwd=directory)
+
+        # Load MGXS
+        with openmc.StatePoint(statepoint_filename) as sp:
+            mgxs_lib.load_from_statepoint(sp)
+
+        return mgxs_lib
+
     def _create_mgxs_sources(
         self,
         groups: openmc.mgxs.EnergyGroups,
@@ -1848,52 +1927,8 @@ class Model:
             model.geometry.root_universe = infinite_universe
 
             # Add MGXS Tallies
-
-            # Initialize MGXS library with a finished OpenMC geometry object
-            mgxs_lib = openmc.mgxs.Library(model.geometry)
-
-            # Pick energy group structure
-            mgxs_lib.energy_groups = groups
-
-            # Disable transport correction
-            mgxs_lib.correction = correction
-
-            # Specify needed cross sections for random ray
-            if correction == 'P0':
-                mgxs_lib.mgxs_types = [
-                    'nu-transport', 'absorption', 'nu-fission', 'fission',
-                    'consistent nu-scatter matrix', 'multiplicity matrix', 'chi'
-                ]
-            elif correction is None:
-                mgxs_lib.mgxs_types = [
-                    'total', 'absorption', 'nu-fission', 'fission',
-                    'consistent nu-scatter matrix', 'multiplicity matrix', 'chi'
-                ]
-
-            # Specify a "cell" domain type for the cross section tally filters
-            mgxs_lib.domain_type = "material"
-
-            # Specify the cell domains over which to compute multi-group cross sections
-            mgxs_lib.domains = model.geometry.get_all_materials().values()
-
-            # Do not compute cross sections on a nuclide-by-nuclide basis
-            mgxs_lib.by_nuclide = False
-
-            # Check the library - if no errors are raised, then the library is satisfactory.
-            mgxs_lib.check_library_for_openmc_mgxs()
-
-            # Construct all tallies needed for the multi-group cross section library
-            mgxs_lib.build_library()
-
-            # Create a "tallies.xml" file for the MGXS Library
-            mgxs_lib.add_to_tallies(model.tallies, merge=True)
-
-            # Run
-            statepoint_filename = model.run(cwd=directory)
-
-            # Load MGXS
-            with openmc.StatePoint(statepoint_filename) as sp:
-                mgxs_lib.load_from_statepoint(sp)
+            mgxs_lib = self._auto_generate_mgxs_lib(
+                model, groups, correction, directory)
 
             # Create a MGXS File which can then be written to disk
             mgxs_set = mgxs_lib.get_xsdata(domain=material, xsdata_name=name)
@@ -2055,48 +2090,8 @@ class Model:
         model.settings.output = {'summary': True, 'tallies': False}
 
         # Add MGXS Tallies
-
-        # Initialize MGXS library with a finished OpenMC geometry object
-        mgxs_lib = openmc.mgxs.Library(model.geometry)
-
-        # Pick energy group structure
-        mgxs_lib.energy_groups = groups
-
-        # Disable transport correction
-        mgxs_lib.correction = correction
-
-       # Specify needed cross sections for random ray
-        if correction == 'P0':
-            mgxs_lib.mgxs_types = ['nu-transport', 'absorption', 'nu-fission', 'fission',
-                                   'consistent nu-scatter matrix', 'multiplicity matrix', 'chi']
-        elif correction is None:
-            mgxs_lib.mgxs_types = ['total', 'absorption', 'nu-fission', 'fission',
-                                   'consistent nu-scatter matrix', 'multiplicity matrix', 'chi']
-
-        # Specify a "cell" domain type for the cross section tally filters
-        mgxs_lib.domain_type = "material"
-
-        # Specify the cell domains over which to compute multi-group cross sections
-        mgxs_lib.domains = model.geometry.get_all_materials().values()
-
-        # Do not compute cross sections on a nuclide-by-nuclide basis
-        mgxs_lib.by_nuclide = False
-
-        # Check the library - if no errors are raised, then the library is satisfactory.
-        mgxs_lib.check_library_for_openmc_mgxs()
-
-        # Construct all tallies needed for the multi-group cross section library
-        mgxs_lib.build_library()
-
-        # Create a "tallies.xml" file for the MGXS Library
-        mgxs_lib.add_to_tallies(model.tallies, merge=True)
-
-        # Run
-        statepoint_filename = model.run(cwd=directory)
-
-        # Load MGXS
-        with openmc.StatePoint(statepoint_filename) as sp:
-            mgxs_lib.load_from_statepoint(sp)
+        mgxs_lib = self._auto_generate_mgxs_lib(
+                model, groups, correction, directory)
 
         names = [mat.name for mat in mgxs_lib.domains]
 
@@ -2146,52 +2141,8 @@ class Model:
         model.settings.output = {'summary': True, 'tallies': False}
 
         # Add MGXS Tallies
-
-        # Initialize MGXS library with a finished OpenMC geometry object
-        mgxs_lib = openmc.mgxs.Library(model.geometry)
-
-        # Pick energy group structure
-        mgxs_lib.energy_groups = groups
-
-        # Disable transport correction
-        mgxs_lib.correction = correction
-
-        # Specify needed cross sections for random ray
-        if correction == 'P0':
-            mgxs_lib.mgxs_types = [
-                'nu-transport', 'absorption', 'nu-fission', 'fission',
-                'consistent nu-scatter matrix', 'multiplicity matrix', 'chi'
-            ]
-        elif correction is None:
-            mgxs_lib.mgxs_types = [
-                'total', 'absorption', 'nu-fission', 'fission',
-                'consistent nu-scatter matrix', 'multiplicity matrix', 'chi'
-            ]
-
-        # Specify a "cell" domain type for the cross section tally filters
-        mgxs_lib.domain_type = "material"
-
-        # Specify the cell domains over which to compute multi-group cross sections
-        mgxs_lib.domains = model.geometry.get_all_materials().values()
-
-        # Do not compute cross sections on a nuclide-by-nuclide basis
-        mgxs_lib.by_nuclide = False
-
-        # Check the library - if no errors are raised, then the library is satisfactory.
-        mgxs_lib.check_library_for_openmc_mgxs()
-
-        # Construct all tallies needed for the multi-group cross section library
-        mgxs_lib.build_library()
-
-        # Create a "tallies.xml" file for the MGXS Library
-        mgxs_lib.add_to_tallies(model.tallies, merge=True)
-
-        # Run
-        statepoint_filename = model.run(cwd=directory)
-
-        # Load MGXS
-        with openmc.StatePoint(statepoint_filename) as sp:
-            mgxs_lib.load_from_statepoint(sp)
+        mgxs_lib = self._auto_generate_mgxs_lib(
+                model, groups, correction, directory)
 
         names = [mat.name for mat in mgxs_lib.domains]
 
@@ -2617,5 +2568,3 @@ class SearchResult:
     def total_batches(self) -> int:
         """Total number of active batches used across all evaluations."""
         return sum(self.batches)
-
-
diff --git a/src/random_ray/random_ray_simulation.cpp b/src/random_ray/random_ray_simulation.cpp
index d475b2593..2b54ae2eb 100644
--- a/src/random_ray/random_ray_simulation.cpp
+++ b/src/random_ray/random_ray_simulation.cpp
@@ -28,17 +28,13 @@ void openmc_run_random_ray()
   // Run forward simulation
   //////////////////////////////////////////////////////////
 
-  // Check if adjoint calculation is needed. If it is, we will run the forward
-  // calculation first and then the adjoint calculation later.
-  bool adjoint_needed = FlatSourceDomain::adjoint_;
-
-  // Configure the domain for forward simulation
-  FlatSourceDomain::adjoint_ = false;
-
-  // If we're going to do an adjoint simulation afterwards, report that this is
-  // the initial forward flux solve.
-  if (adjoint_needed && mpi::master)
-    header("FORWARD FLUX SOLVE", 3);
+  if (mpi::master) {
+    if (FlatSourceDomain::adjoint_) {
+      FlatSourceDomain::adjoint_ = false;
+      openmc::print_adjoint_header();
+      FlatSourceDomain::adjoint_ = true;
+    }
+  }
 
   // Initialize OpenMC general data structures
   openmc_simulation_init();
@@ -53,76 +49,20 @@ void openmc_run_random_ray()
   // Initialize fixed sources, if present
   sim.apply_fixed_sources_and_mesh_domains();
 
-  // Begin main simulation timer
-  simulation::time_total.start();
-
-  // Execute random ray simulation
+  // Run initial random ray simulation
   sim.simulate();
 
-  // End main simulation timer
-  simulation::time_total.stop();
-
-  // Normalize and save the final forward flux
-  double source_normalization_factor =
-    sim.domain()->compute_fixed_source_normalization_factor() /
-    (settings::n_batches - settings::n_inactive);
-
-#pragma omp parallel for
-  for (uint64_t se = 0; se < sim.domain()->n_source_elements(); se++) {
-    sim.domain()->source_regions_.scalar_flux_final(se) *=
-      source_normalization_factor;
-  }
-
-  // Finalize OpenMC
-  openmc_simulation_finalize();
-
-  // Output all simulation results
-  sim.output_simulation_results();
-
   //////////////////////////////////////////////////////////
   // Run adjoint simulation (if enabled)
   //////////////////////////////////////////////////////////
 
-  if (!adjoint_needed) {
-    return;
+  if (sim.adjoint_needed_) {
+    // Setup for adjoint simulation
+    sim.prepare_adjoint_simulation();
+
+    // Run adjoint simulation
+    sim.simulate();
   }
-
-  reset_timers();
-
-  // Configure the domain for adjoint simulation
-  FlatSourceDomain::adjoint_ = true;
-
-  if (mpi::master)
-    header("ADJOINT FLUX SOLVE", 3);
-
-  // Initialize OpenMC general data structures
-  openmc_simulation_init();
-
-  sim.domain()->k_eff_ = 1.0;
-
-  // Initialize adjoint fixed sources, if present
-  sim.prepare_fixed_sources_adjoint();
-
-  // Transpose scattering matrix
-  sim.domain()->transpose_scattering_matrix();
-
-  // Swap nu_sigma_f and chi
-  sim.domain()->nu_sigma_f_.swap(sim.domain()->chi_);
-
-  // Begin main simulation timer
-  simulation::time_total.start();
-
-  // Execute random ray simulation
-  sim.simulate();
-
-  // End main simulation timer
-  simulation::time_total.stop();
-
-  // Finalize OpenMC
-  openmc_simulation_finalize();
-
-  // Output all simulation results
-  sim.output_simulation_results();
 }
 
 // Enforces restrictions on inputs in random ray mode.  While there are
@@ -353,6 +293,17 @@ void openmc_reset_random_ray()
   RandomRay::sample_method_ = RandomRaySampleMethod::PRNG;
 }
 
+void print_adjoint_header()
+{
+  if (!FlatSourceDomain::adjoint_)
+    // If we're going to do an adjoint simulation afterwards, report that this
+    // is the initial forward flux solve.
+    header("FORWARD FLUX SOLVE", 3);
+  else
+    // Otherwise report that we are doing the adjoint simulation
+    header("ADJOINT FLUX SOLVE", 3);
+}
+
 //==============================================================================
 // RandomRaySimulation implementation
 //==============================================================================
@@ -383,6 +334,16 @@ RandomRaySimulation::RandomRaySimulation()
   // Convert OpenMC native MGXS into a more efficient format
   // internal to the random ray solver
   domain_->flatten_xs();
+
+  // Check if adjoint calculation is needed. If it is, we will run the forward
+  // calculation first and then the adjoint calculation later.
+  adjoint_needed_ = FlatSourceDomain::adjoint_;
+
+  // Adjoint is always false for the forward calculation
+  FlatSourceDomain::adjoint_ = false;
+
+  // The first simulation is run after initialization
+  is_first_simulation_ = true;
 }
 
 void RandomRaySimulation::apply_fixed_sources_and_mesh_domains()
@@ -403,8 +364,41 @@ void RandomRaySimulation::prepare_fixed_sources_adjoint()
   }
 }
 
+void RandomRaySimulation::prepare_adjoint_simulation()
+{
+  // Configure the domain for adjoint simulation
+  FlatSourceDomain::adjoint_ = true;
+
+  // Reset k-eff
+  domain_->k_eff_ = 1.0;
+
+  // Initialize adjoint fixed sources, if present
+  prepare_fixed_sources_adjoint();
+
+  // Transpose scattering matrix
+  domain_->transpose_scattering_matrix();
+
+  // Swap nu_sigma_f and chi
+  domain_->nu_sigma_f_.swap(domain_->chi_);
+}
+
 void RandomRaySimulation::simulate()
 {
+  if (!is_first_simulation_) {
+    if (mpi::master && adjoint_needed_)
+      openmc::print_adjoint_header();
+
+    // Reset the timers and reinitialize the general OpenMC datastructures if
+    // this is after the first simulation
+    reset_timers();
+
+    // Initialize OpenMC general data structures
+    openmc_simulation_init();
+  }
+
+  // Begin main simulation timer
+  simulation::time_total.start();
+
   // Random ray power iteration loop
   while (simulation::current_batch < settings::n_batches) {
     // Initialize the current batch
@@ -493,6 +487,31 @@ void RandomRaySimulation::simulate()
   } // End random ray power iteration loop
 
   domain_->count_external_source_regions();
+
+  // End main simulation timer
+  simulation::time_total.stop();
+
+  // Normalize and save the final flux
+  double source_normalization_factor =
+    domain_->compute_fixed_source_normalization_factor() /
+    (settings::n_batches - settings::n_inactive);
+
+#pragma omp parallel for
+  for (uint64_t se = 0; se < domain_->n_source_elements(); se++) {
+    domain_->source_regions_.scalar_flux_final(se) *=
+      source_normalization_factor;
+  }
+
+  // Finalize OpenMC
+  openmc_simulation_finalize();
+
+  // Output all simulation results
+  output_simulation_results();
+
+  // Toggle that the simulation object has been initialized after the first
+  // simulation
+  if (is_first_simulation_)
+    is_first_simulation_ = false;
 }
 
 void RandomRaySimulation::output_simulation_results() const

From 73a98b2cc6ab3c1fbe889e155a269b8193d15f62 Mon Sep 17 00:00:00 2001
From: Olek <45364492+yardasol@users.noreply.github.com>
Date: Fri, 23 Jan 2026 10:20:25 -0600
Subject: [PATCH 2492/2654] Add `random_ray_pincell()` example model (#3735)

Co-authored-by: John Tramm <john.tramm@gmail.com>
---
 openmc/examples.py | 185 ++++++++++++++++++++++++++++++++++++---------
 1 file changed, 151 insertions(+), 34 deletions(-)

diff --git a/openmc/examples.py b/openmc/examples.py
index 01dd9d01f..350a4d24d 100644
--- a/openmc/examples.py
+++ b/openmc/examples.py
@@ -4,7 +4,7 @@ import numpy as np
 
 import openmc
 
-
+PINCELL_PITCH = 1.26 # cm
 
 def pwr_pin_cell() -> openmc.Model:
     """Create a PWR pin-cell model.
@@ -51,7 +51,7 @@ def pwr_pin_cell() -> openmc.Model:
     model.materials = (fuel, clad, hot_water)
 
     # Instantiate ZCylinder surfaces
-    pitch = 1.26
+    pitch = PINCELL_PITCH
     fuel_or = openmc.ZCylinder(x0=0, y0=0, r=0.39218, name='Fuel OR')
     clad_or = openmc.ZCylinder(x0=0, y0=0, r=0.45720, name='Clad OR')
     left = openmc.XPlane(x0=-pitch/2, name='left', boundary_type='reflective')
@@ -319,14 +319,14 @@ def pwr_core() -> openmc.Model:
     l100 = openmc.RectLattice(
         name='Fuel assembly (lower half)', lattice_id=100)
     l100.lower_left = (-10.71, -10.71)
-    l100.pitch = (1.26, 1.26)
+    l100.pitch = (PINCELL_PITCH, PINCELL_PITCH)
     l100.universes = np.tile(fuel_cold, (17, 17))
     l100.universes[tube_x, tube_y] = tube_cold
 
     l101 = openmc.RectLattice(
         name='Fuel assembly (upper half)', lattice_id=101)
     l101.lower_left = (-10.71, -10.71)
-    l101.pitch = (1.26, 1.26)
+    l101.pitch = (PINCELL_PITCH, PINCELL_PITCH)
     l101.universes = np.tile(fuel_hot, (17, 17))
     l101.universes[tube_x, tube_y] = tube_hot
 
@@ -350,7 +350,7 @@ def pwr_core() -> openmc.Model:
     # Define core lattices
     l200 = openmc.RectLattice(name='Core lattice (lower half)', lattice_id=200)
     l200.lower_left = (-224.91, -224.91)
-    l200.pitch = (21.42, 21.42)
+    l200.pitch = (17 * PINCELL_PITCH, 17 * PINCELL_PITCH)
     l200.universes = [
         [fa_cw]*21,
         [fa_cw]*21,
@@ -376,7 +376,7 @@ def pwr_core() -> openmc.Model:
 
     l201 = openmc.RectLattice(name='Core lattice (lower half)', lattice_id=201)
     l201.lower_left = (-224.91, -224.91)
-    l201.pitch = (21.42, 21.42)
+    l201.pitch = (17 * PINCELL_PITCH, 17 * PINCELL_PITCH)
     l201.universes = [
         [fa_hw]*21,
         [fa_hw]*21,
@@ -488,7 +488,7 @@ def pwr_assembly() -> openmc.Model:
     clad_or = openmc.ZCylinder(x0=0, y0=0, r=0.45720, name='Clad OR')
 
     # Create boundary planes to surround the geometry
-    pitch = 21.42
+    pitch = 17 * PINCELL_PITCH
     min_x = openmc.XPlane(x0=-pitch/2, boundary_type='reflective')
     max_x = openmc.XPlane(x0=+pitch/2, boundary_type='reflective')
     min_y = openmc.YPlane(y0=-pitch/2, boundary_type='reflective')
@@ -514,7 +514,7 @@ def pwr_assembly() -> openmc.Model:
 
     # Create fuel assembly Lattice
     assembly = openmc.RectLattice(name='Fuel Assembly')
-    assembly.pitch = (pitch/17, pitch/17)
+    assembly.pitch = (PINCELL_PITCH, PINCELL_PITCH)
     assembly.lower_left = (-pitch/2, -pitch/2)
 
     # Create array indices for guide tube locations in lattice
@@ -656,24 +656,21 @@ def slab_mg(num_regions=1, mat_names=None, mgxslib_name='2g.h5') -> openmc.Model
     return model
 
 
-def random_ray_lattice() -> openmc.Model:
-    """Create a 2x2 PWR pincell asymmetrical lattic eexample.
-
-    This model is a 2x2 reflective lattice of fuel pins with one of the lattice
-    locations having just moderator instead of a fuel pin. It uses 7 group
-    cross section data.
+def _generate_c5g7_materials() -> openmc.Materials:
+    """Generate materials utilizing multi-group cross sections based on the
+    the C5G7 Benchmark.
 
     Returns
     -------
-    model : openmc.Model
-        A PWR 2x2 lattice model
+    materials : openmc.Materials
+        Materials object containing UO2 and water materials.
 
+    Data Sources
+    ------------
+    All cross section data are from:
+    Lewis et al., "Benchmark specification for determinisitc 2D/3D MOX fuel
+    assembly transport calculations without spatial homogenization"
     """
-    model = openmc.Model()
-
-    ###########################################################################
-    # Create MGXS data for the problem
-
     # Instantiate the energy group data
     group_edges = [1e-5, 0.0635, 10.0, 1.0e2, 1.0e3, 0.5e6, 1.0e6, 20.0e6]
     groups = openmc.mgxs.EnergyGroups(group_edges)
@@ -704,9 +701,10 @@ def random_ray_lattice() -> openmc.Model:
     uo2_xsdata.set_fission([7.21206e-03, 8.19301e-04, 6.45320e-03,
                             1.85648e-02, 1.78084e-02, 8.30348e-02,
                             2.16004e-01])
-    uo2_xsdata.set_nu_fission([2.005998e-02, 2.027303e-03, 1.570599e-02,
-                               4.518301e-02, 4.334208e-02, 2.020901e-01,
-                               5.257105e-01])
+    nu_fission = np.array([2.005998e-02, 2.027303e-03, 1.570599e-02,
+                           4.518301e-02, 4.334208e-02, 2.020901e-01,
+                           5.257105e-01])
+    uo2_xsdata.set_nu_fission(nu_fission)
     uo2_xsdata.set_chi([5.8791e-01, 4.1176e-01, 3.3906e-04, 1.1761e-07, 0.0000e+00,
                         0.0000e+00, 0.0000e+00])
 
@@ -752,14 +750,28 @@ def random_ray_lattice() -> openmc.Model:
     # Instantiate a Materials collection and export to XML
     materials = openmc.Materials([uo2, water])
     materials.cross_sections = "mgxs.h5"
+    return materials
 
-    ###########################################################################
-    # Define problem geometry
 
+def _generate_subdivided_pin_cell(uo2, water) -> openmc.Universe:
+    """Create a radially and azimuthally subdivided pin cell universe. Helper
+    function for random_ray_pin_cell() and random_ray_lattice()
+
+    Parameters
+    ----------
+    uo2 : openmc.Material
+        UO2 material
+    water : openmc.Material
+        Water material
+
+    Returns
+    -------
+    pincell : openmc.Universe
+        Universe containing an unbounded pin cell
+
+    """
     ########################################
-    # Define an unbounded pincell universe
-
-    pitch = 1.26
+    # Define an unbounded pin cell universe
 
     # Create a surface for the fuel outer radius
     fuel_or = openmc.ZCylinder(r=0.54, name='Fuel OR')
@@ -781,7 +793,7 @@ def random_ray_lattice() -> openmc.Model:
     moderator_c = openmc.Cell(
         fill=water, region=+outer_ring_b, name='moderator outer c')
 
-    # Create pincell universe
+    # Create pin cell universe
     pincell_base = openmc.Universe()
 
     # Register Cells with Universe
@@ -801,19 +813,125 @@ def random_ray_lattice() -> openmc.Model:
     for i in range(8):
         azimuthal_cell = openmc.Cell(name=f'azimuthal_cell_{i}')
         azimuthal_cell.fill = pincell_base
-        azimuthal_cell.region = +azimuthal_planes[i] & -azimuthal_planes[(i+1) % 8]
+        azimuthal_cell.region = + \
+            azimuthal_planes[i] & -azimuthal_planes[(i+1) % 8]
         azimuthal_cells.append(azimuthal_cell)
 
     # Create a geometry with the azimuthal universes
     pincell = openmc.Universe(cells=azimuthal_cells, name='pincell')
 
+    return pincell
+
+
+def random_ray_pin_cell() -> openmc.Model:
+    """Create a PWR pin cell example using C5G7 cross section data.
+    cross section data.
+
+    Returns
+    -------
+    model : openmc.Model
+        A PWR pin cell model
+
+    """
+    model = openmc.Model()
+
+    ###########################################################################
+    # Create Materials for the problem
+    materials = _generate_c5g7_materials()
+    uo2 = materials[0]
+    water = materials[1]
+
+    ###########################################################################
+    # Define problem geometry
+    pincell = _generate_subdivided_pin_cell(uo2, water)
+
+    ########################################
+    # Define cell containing lattice and other stuff
+    pitch = PINCELL_PITCH
+    box = openmc.model.RectangularPrism(pitch, pitch, boundary_type='reflective')
+
+    pincell = openmc.Cell(fill=pincell, region=-box, name='pincell')
+
+    # Create a geometry with the top-level cell
+    geometry = openmc.Geometry([pincell])
+
+    ###########################################################################
+    # Define problem settings
+
+    # Instantiate a Settings object, set all runtime parameters, and export to XML
+    settings = openmc.Settings()
+    settings.energy_mode = "multi-group"
+    settings.batches = 400
+    settings.inactive = 200
+    settings.particles = 100
+
+    # Create an initial uniform spatial source distribution over fissionable zones
+    lower_left = (-pitch / 2, -pitch / 2, -1)
+    upper_right = (pitch / 2, pitch / 2, 1)
+    uniform_dist = openmc.stats.Box(lower_left, upper_right)
+    rr_source = openmc.IndependentSource(space=uniform_dist)
+
+    settings.random_ray['distance_active'] = 100.0
+    settings.random_ray['distance_inactive'] = 20.0
+    settings.random_ray['ray_source'] = rr_source
+    settings.random_ray['volume_normalized_flux_tallies'] = True
+
+    ###########################################################################
+    # Define tallies
+    # Now use the mesh filter in a tally and indicate what scores are desired
+    tally = openmc.Tally(name="Pin tally")
+    tally.scores = ['flux', 'fission', 'nu-fission']
+    tally.estimator = 'analog'
+
+    # Instantiate a Tallies collection and export to XML
+    tallies = openmc.Tallies([tally])
+
+    ###########################################################################
+    #                   Exporting to OpenMC model
+    ###########################################################################
+
+    model.geometry = geometry
+    model.materials = materials
+    model.settings = settings
+    model.tallies = tallies
+    return model
+
+
+def random_ray_lattice() -> openmc.Model:
+    """Create a 2x2 PWR pin cell asymmetrical lattice example.
+
+    This model is a 2x2 reflective lattice of fuel pins with one of the lattice
+    locations having just moderator instead of a fuel pin. It uses C5G7
+    cross section data.
+
+    Returns
+    -------
+    model : openmc.Model
+        A PWR 2x2 lattice model
+
+    """
+    model = openmc.Model()
+
+    ###########################################################################
+    # Create Materials for the problem
+    materials = _generate_c5g7_materials()
+    uo2 = materials[0]
+    water = materials[1]
+
+    ###########################################################################
+    # Define problem geometry
+    pincell = _generate_subdivided_pin_cell(uo2, water)
+
     ########################################
     # Define a moderator lattice universe
 
-    moderator_infinite = openmc.Cell(fill=water, name='moderator infinite')
+    moderator_infinite = openmc.Cell(name='moderator infinite')
+    moderator_infinite.fill = water
+
     mu = openmc.Universe()
     mu.add_cells([moderator_infinite])
 
+    pitch = PINCELL_PITCH
     lattice = openmc.RectLattice()
     lattice.lower_left = [-pitch/2.0, -pitch/2.0]
     lattice.pitch = [pitch/10.0, pitch/10.0]
@@ -837,8 +955,7 @@ def random_ray_lattice() -> openmc.Model:
 
     ########################################
     # Define cell containing lattice and other stuff
-    box = openmc.model.RectangularPrism(
-        pitch*2, pitch*2, boundary_type='reflective')
+    box = openmc.model.RectangularPrism(pitch*2, pitch*2, boundary_type='reflective')
 
     assembly = openmc.Cell(fill=lattice2x2, region=-box, name='assembly')
 

From 3e2f1f521ade6df388544a3e0981a75503eb460c Mon Sep 17 00:00:00 2001
From: Kevin Sawatzky <66632997+nuclearkevin@users.noreply.github.com>
Date: Fri, 23 Jan 2026 10:23:05 -0600
Subject: [PATCH 2493/2654] Enable fission heating tallies in the random ray
 solver (#3714)

---
 docs/source/usersguide/random_ray.rst         |  1 +
 .../openmc/random_ray/flat_source_domain.h    |  1 +
 openmc/model/model.py                         |  6 +-
 src/random_ray/flat_source_domain.cpp         | 14 +++-
 src/random_ray/random_ray_simulation.cpp      |  5 +-
 .../__init__.py                               |  0
 .../infinite_medium/inputs_true.dat           | 73 +++++++++++++++++++
 .../infinite_medium/results_true.dat          |  5 ++
 .../material_wise/inputs_true.dat             | 73 +++++++++++++++++++
 .../material_wise/results_true.dat            |  5 ++
 .../stochastic_slab/inputs_true.dat           | 73 +++++++++++++++++++
 .../stochastic_slab/results_true.dat          |  5 ++
 .../test.py                                   | 60 +++++++++++++++
 13 files changed, 315 insertions(+), 6 deletions(-)
 create mode 100644 tests/regression_tests/random_ray_auto_convert_kappa_fission/__init__.py
 create mode 100644 tests/regression_tests/random_ray_auto_convert_kappa_fission/infinite_medium/inputs_true.dat
 create mode 100644 tests/regression_tests/random_ray_auto_convert_kappa_fission/infinite_medium/results_true.dat
 create mode 100644 tests/regression_tests/random_ray_auto_convert_kappa_fission/material_wise/inputs_true.dat
 create mode 100644 tests/regression_tests/random_ray_auto_convert_kappa_fission/material_wise/results_true.dat
 create mode 100644 tests/regression_tests/random_ray_auto_convert_kappa_fission/stochastic_slab/inputs_true.dat
 create mode 100644 tests/regression_tests/random_ray_auto_convert_kappa_fission/stochastic_slab/results_true.dat
 create mode 100644 tests/regression_tests/random_ray_auto_convert_kappa_fission/test.py

diff --git a/docs/source/usersguide/random_ray.rst b/docs/source/usersguide/random_ray.rst
index 382381a9e..64ef7de6d 100644
--- a/docs/source/usersguide/random_ray.rst
+++ b/docs/source/usersguide/random_ray.rst
@@ -513,6 +513,7 @@ Supported scores:
     - total
     - fission
     - nu-fission
+    - kappa-fission
     - events
 
 Supported Estimators:
diff --git a/include/openmc/random_ray/flat_source_domain.h b/include/openmc/random_ray/flat_source_domain.h
index 4df4e5d8d..0d4086966 100644
--- a/include/openmc/random_ray/flat_source_domain.h
+++ b/include/openmc/random_ray/flat_source_domain.h
@@ -107,6 +107,7 @@ public:
   vector<double> nu_sigma_f_;
   vector<double> sigma_f_;
   vector<double> chi_;
+  vector<double> kappa_fission_;
 
   // 3D arrays stored in 1D representing values for all materials x energy
   // groups x energy groups
diff --git a/openmc/model/model.py b/openmc/model/model.py
index ca78f282f..90b43f9f7 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -1729,12 +1729,14 @@ class Model:
         if correction == 'P0':
             mgxs_lib.mgxs_types = [
                 'nu-transport', 'absorption', 'nu-fission', 'fission',
-                'consistent nu-scatter matrix', 'multiplicity matrix', 'chi'
+                'consistent nu-scatter matrix', 'multiplicity matrix', 'chi',
+                'kappa-fission'
             ]
         elif correction is None:
             mgxs_lib.mgxs_types = [
                 'total', 'absorption', 'nu-fission', 'fission',
-                'consistent nu-scatter matrix', 'multiplicity matrix', 'chi'
+                'consistent nu-scatter matrix', 'multiplicity matrix', 'chi',
+                'kappa-fission'
             ]
 
         # Specify a "material" domain type for the cross section tally filters
diff --git a/src/random_ray/flat_source_domain.cpp b/src/random_ray/flat_source_domain.cpp
index 2f5007fc9..c2effaa5d 100644
--- a/src/random_ray/flat_source_domain.cpp
+++ b/src/random_ray/flat_source_domain.cpp
@@ -665,10 +665,15 @@ void FlatSourceDomain::random_ray_tally()
           score = 1.0;
           break;
 
+        case SCORE_KAPPA_FISSION:
+          score = flux * volume * kappa_fission_[material * negroups_ + g] *
+                  density_mult;
+          break;
+
         default:
           fatal_error("Invalid score specified in tallies.xml. Only flux, "
-                      "total, fission, nu-fission, and events are supported in "
-                      "random ray mode.");
+                      "total, fission, nu-fission, kappa-fission, and events "
+                      "are supported in random ray mode.");
           break;
         }
         // Apply score to the appropriate tally bin
@@ -1165,6 +1170,10 @@ void FlatSourceDomain::flatten_xs()
         }
         chi_.push_back(chi);
 
+        double kappa_fission =
+          m.get_xs(MgxsType::KAPPA_FISSION, g_out, NULL, NULL, NULL, t, a);
+        kappa_fission_.push_back(kappa_fission);
+
         for (int g_in = 0; g_in < negroups_; g_in++) {
           double sigma_s =
             m.get_xs(MgxsType::NU_SCATTER, g_in, &g_out, NULL, NULL, t, a);
@@ -1180,6 +1189,7 @@ void FlatSourceDomain::flatten_xs()
         nu_sigma_f_.push_back(0);
         sigma_f_.push_back(0);
         chi_.push_back(0);
+        kappa_fission_.push_back(0);
         for (int g_in = 0; g_in < negroups_; g_in++) {
           sigma_s_.push_back(0);
         }
diff --git a/src/random_ray/random_ray_simulation.cpp b/src/random_ray/random_ray_simulation.cpp
index 2b54ae2eb..7bab3a9b1 100644
--- a/src/random_ray/random_ray_simulation.cpp
+++ b/src/random_ray/random_ray_simulation.cpp
@@ -83,11 +83,12 @@ void validate_random_ray_inputs()
       case SCORE_FISSION:
       case SCORE_NU_FISSION:
       case SCORE_EVENTS:
+      case SCORE_KAPPA_FISSION:
         break;
       default:
         fatal_error(
-          "Invalid score specified. Only flux, total, fission, nu-fission, and "
-          "event scores are supported in random ray mode.");
+          "Invalid score specified. Only flux, total, fission, nu-fission, "
+          "kappa-fission, and event scores are supported in random ray mode.");
       }
     }
 
diff --git a/tests/regression_tests/random_ray_auto_convert_kappa_fission/__init__.py b/tests/regression_tests/random_ray_auto_convert_kappa_fission/__init__.py
new file mode 100644
index 000000000..e69de29bb
diff --git a/tests/regression_tests/random_ray_auto_convert_kappa_fission/infinite_medium/inputs_true.dat b/tests/regression_tests/random_ray_auto_convert_kappa_fission/infinite_medium/inputs_true.dat
new file mode 100644
index 000000000..9f3a827f6
--- /dev/null
+++ b/tests/regression_tests/random_ray_auto_convert_kappa_fission/infinite_medium/inputs_true.dat
@@ -0,0 +1,73 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <cross_sections>mgxs.h5</cross_sections>
+    <material id="1" name="UO2__2_4__" depletable="true">
+      <density value="1.0" units="macro"/>
+      <macroscopic name="UO2__2_4__"/>
+    </material>
+    <material id="2" name="Zircaloy">
+      <density value="1.0" units="macro"/>
+      <macroscopic name="Zircaloy"/>
+    </material>
+    <material id="3" name="Hot_borated_water">
+      <density value="1.0" units="macro"/>
+      <macroscopic name="Hot_borated_water"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" name="Fuel" material="1" region="-1" universe="0"/>
+    <cell id="2" name="Cladding" material="2" region="1 -2" universe="0"/>
+    <cell id="3" name="Water" material="3" region="2 3 -4 5 -6" universe="0"/>
+    <surface id="1" name="Fuel OR" type="z-cylinder" coeffs="0 0 0.39218"/>
+    <surface id="2" name="Clad OR" type="z-cylinder" coeffs="0 0 0.4572"/>
+    <surface id="3" name="left" type="x-plane" boundary="reflective" coeffs="-0.63"/>
+    <surface id="4" name="right" type="x-plane" boundary="reflective" coeffs="0.63"/>
+    <surface id="5" name="bottom" type="y-plane" boundary="reflective" coeffs="-0.63"/>
+    <surface id="6" name="top" type="y-plane" boundary="reflective" coeffs="0.63"/>
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>10</batches>
+    <inactive>5</inactive>
+    <source type="independent" strength="1.0" particle="neutron">
+      <space type="box">
+        <parameters>-0.63 -0.63 -1 0.63 0.63 1</parameters>
+      </space>
+      <constraints>
+        <fissionable>true</fissionable>
+      </constraints>
+    </source>
+    <energy_mode>multi-group</energy_mode>
+    <random_ray>
+      <source type="independent" strength="1.0" particle="neutron">
+        <space type="box">
+          <parameters>-0.63 -0.63 -1.0 0.63 0.63 1.0</parameters>
+        </space>
+      </source>
+      <distance_inactive>30.0</distance_inactive>
+      <distance_active>150.0</distance_active>
+      <source_region_meshes>
+        <mesh id="1">
+          <domain id="0" type="universe"/>
+        </mesh>
+      </source_region_meshes>
+      <source_shape>linear</source_shape>
+    </random_ray>
+    <mesh id="1">
+      <dimension>2 2</dimension>
+      <lower_left>-0.63 -0.63</lower_left>
+      <upper_right>0.63 0.63</upper_right>
+    </mesh>
+  </settings>
+  <tallies>
+    <filter id="61" type="material">
+      <bins>1</bins>
+    </filter>
+    <tally id="193" name="KF Tally">
+      <filters>61</filters>
+      <scores>kappa-fission</scores>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/random_ray_auto_convert_kappa_fission/infinite_medium/results_true.dat b/tests/regression_tests/random_ray_auto_convert_kappa_fission/infinite_medium/results_true.dat
new file mode 100644
index 000000000..27b32d787
--- /dev/null
+++ b/tests/regression_tests/random_ray_auto_convert_kappa_fission/infinite_medium/results_true.dat
@@ -0,0 +1,5 @@
+k-combined:
+7.479770E-01 1.624548E-02
+tally 1:
+2.965503E+08
+1.762157E+16
diff --git a/tests/regression_tests/random_ray_auto_convert_kappa_fission/material_wise/inputs_true.dat b/tests/regression_tests/random_ray_auto_convert_kappa_fission/material_wise/inputs_true.dat
new file mode 100644
index 000000000..edf68f7e2
--- /dev/null
+++ b/tests/regression_tests/random_ray_auto_convert_kappa_fission/material_wise/inputs_true.dat
@@ -0,0 +1,73 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <cross_sections>mgxs.h5</cross_sections>
+    <material id="1" name="UO2__2_4__" depletable="true">
+      <density value="1.0" units="macro"/>
+      <macroscopic name="UO2__2_4__"/>
+    </material>
+    <material id="2" name="Zircaloy">
+      <density value="1.0" units="macro"/>
+      <macroscopic name="Zircaloy"/>
+    </material>
+    <material id="3" name="Hot_borated_water">
+      <density value="1.0" units="macro"/>
+      <macroscopic name="Hot_borated_water"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" name="Fuel" material="1" region="-1" universe="0"/>
+    <cell id="2" name="Cladding" material="2" region="1 -2" universe="0"/>
+    <cell id="3" name="Water" material="3" region="2 3 -4 5 -6" universe="0"/>
+    <surface id="1" name="Fuel OR" type="z-cylinder" coeffs="0 0 0.39218"/>
+    <surface id="2" name="Clad OR" type="z-cylinder" coeffs="0 0 0.4572"/>
+    <surface id="3" name="left" type="x-plane" boundary="reflective" coeffs="-0.63"/>
+    <surface id="4" name="right" type="x-plane" boundary="reflective" coeffs="0.63"/>
+    <surface id="5" name="bottom" type="y-plane" boundary="reflective" coeffs="-0.63"/>
+    <surface id="6" name="top" type="y-plane" boundary="reflective" coeffs="0.63"/>
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>10</batches>
+    <inactive>5</inactive>
+    <source type="independent" strength="1.0" particle="neutron">
+      <space type="box">
+        <parameters>-0.63 -0.63 -1 0.63 0.63 1</parameters>
+      </space>
+      <constraints>
+        <fissionable>true</fissionable>
+      </constraints>
+    </source>
+    <energy_mode>multi-group</energy_mode>
+    <random_ray>
+      <source type="independent" strength="1.0" particle="neutron">
+        <space type="box">
+          <parameters>-0.63 -0.63 -1.0 0.63 0.63 1.0</parameters>
+        </space>
+      </source>
+      <distance_inactive>30.0</distance_inactive>
+      <distance_active>150.0</distance_active>
+      <source_region_meshes>
+        <mesh id="1">
+          <domain id="0" type="universe"/>
+        </mesh>
+      </source_region_meshes>
+      <source_shape>linear</source_shape>
+    </random_ray>
+    <mesh id="1">
+      <dimension>2 2</dimension>
+      <lower_left>-0.63 -0.63</lower_left>
+      <upper_right>0.63 0.63</upper_right>
+    </mesh>
+  </settings>
+  <tallies>
+    <filter id="97" type="material">
+      <bins>1</bins>
+    </filter>
+    <tally id="203" name="KF Tally">
+      <filters>97</filters>
+      <scores>kappa-fission</scores>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/random_ray_auto_convert_kappa_fission/material_wise/results_true.dat b/tests/regression_tests/random_ray_auto_convert_kappa_fission/material_wise/results_true.dat
new file mode 100644
index 000000000..5a379db7e
--- /dev/null
+++ b/tests/regression_tests/random_ray_auto_convert_kappa_fission/material_wise/results_true.dat
@@ -0,0 +1,5 @@
+k-combined:
+7.372542E-01 6.967831E-03
+tally 1:
+2.909255E+08
+1.693395E+16
diff --git a/tests/regression_tests/random_ray_auto_convert_kappa_fission/stochastic_slab/inputs_true.dat b/tests/regression_tests/random_ray_auto_convert_kappa_fission/stochastic_slab/inputs_true.dat
new file mode 100644
index 000000000..edf68f7e2
--- /dev/null
+++ b/tests/regression_tests/random_ray_auto_convert_kappa_fission/stochastic_slab/inputs_true.dat
@@ -0,0 +1,73 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <cross_sections>mgxs.h5</cross_sections>
+    <material id="1" name="UO2__2_4__" depletable="true">
+      <density value="1.0" units="macro"/>
+      <macroscopic name="UO2__2_4__"/>
+    </material>
+    <material id="2" name="Zircaloy">
+      <density value="1.0" units="macro"/>
+      <macroscopic name="Zircaloy"/>
+    </material>
+    <material id="3" name="Hot_borated_water">
+      <density value="1.0" units="macro"/>
+      <macroscopic name="Hot_borated_water"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" name="Fuel" material="1" region="-1" universe="0"/>
+    <cell id="2" name="Cladding" material="2" region="1 -2" universe="0"/>
+    <cell id="3" name="Water" material="3" region="2 3 -4 5 -6" universe="0"/>
+    <surface id="1" name="Fuel OR" type="z-cylinder" coeffs="0 0 0.39218"/>
+    <surface id="2" name="Clad OR" type="z-cylinder" coeffs="0 0 0.4572"/>
+    <surface id="3" name="left" type="x-plane" boundary="reflective" coeffs="-0.63"/>
+    <surface id="4" name="right" type="x-plane" boundary="reflective" coeffs="0.63"/>
+    <surface id="5" name="bottom" type="y-plane" boundary="reflective" coeffs="-0.63"/>
+    <surface id="6" name="top" type="y-plane" boundary="reflective" coeffs="0.63"/>
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>10</batches>
+    <inactive>5</inactive>
+    <source type="independent" strength="1.0" particle="neutron">
+      <space type="box">
+        <parameters>-0.63 -0.63 -1 0.63 0.63 1</parameters>
+      </space>
+      <constraints>
+        <fissionable>true</fissionable>
+      </constraints>
+    </source>
+    <energy_mode>multi-group</energy_mode>
+    <random_ray>
+      <source type="independent" strength="1.0" particle="neutron">
+        <space type="box">
+          <parameters>-0.63 -0.63 -1.0 0.63 0.63 1.0</parameters>
+        </space>
+      </source>
+      <distance_inactive>30.0</distance_inactive>
+      <distance_active>150.0</distance_active>
+      <source_region_meshes>
+        <mesh id="1">
+          <domain id="0" type="universe"/>
+        </mesh>
+      </source_region_meshes>
+      <source_shape>linear</source_shape>
+    </random_ray>
+    <mesh id="1">
+      <dimension>2 2</dimension>
+      <lower_left>-0.63 -0.63</lower_left>
+      <upper_right>0.63 0.63</upper_right>
+    </mesh>
+  </settings>
+  <tallies>
+    <filter id="97" type="material">
+      <bins>1</bins>
+    </filter>
+    <tally id="203" name="KF Tally">
+      <filters>97</filters>
+      <scores>kappa-fission</scores>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/random_ray_auto_convert_kappa_fission/stochastic_slab/results_true.dat b/tests/regression_tests/random_ray_auto_convert_kappa_fission/stochastic_slab/results_true.dat
new file mode 100644
index 000000000..a60e5aa3c
--- /dev/null
+++ b/tests/regression_tests/random_ray_auto_convert_kappa_fission/stochastic_slab/results_true.dat
@@ -0,0 +1,5 @@
+k-combined:
+6.413334E-01 2.083132E-02
+tally 1:
+2.541463E+08
+1.297259E+16
diff --git a/tests/regression_tests/random_ray_auto_convert_kappa_fission/test.py b/tests/regression_tests/random_ray_auto_convert_kappa_fission/test.py
new file mode 100644
index 000000000..6decf165a
--- /dev/null
+++ b/tests/regression_tests/random_ray_auto_convert_kappa_fission/test.py
@@ -0,0 +1,60 @@
+import os
+
+import openmc
+from openmc.examples import pwr_pin_cell
+from openmc import RegularMesh
+from openmc.utility_funcs import change_directory
+import pytest
+
+from tests.testing_harness import TolerantPyAPITestHarness
+
+
+class MGXSTestHarness(TolerantPyAPITestHarness):
+    def _cleanup(self):
+        super()._cleanup()
+        f = 'mgxs.h5'
+        if os.path.exists(f):
+            os.remove(f)
+
+
+@pytest.mark.parametrize("method", ["material_wise", "stochastic_slab", "infinite_medium"])
+def test_random_ray_auto_convert(method):
+    with change_directory(method):
+        openmc.reset_auto_ids()
+
+        # Start with a normal continuous energy model
+        model = pwr_pin_cell()
+
+        # Convert to a multi-group model
+        model.convert_to_multigroup(
+            method=method, groups='CASMO-2', nparticles=100,
+            overwrite_mgxs_library=False, mgxs_path="mgxs.h5"
+        )
+
+        # Convert to a random ray model
+        model.convert_to_random_ray()
+
+        # Set the number of particles
+        model.settings.particles = 100
+
+        # Overlay a basic 2x2 mesh
+        n = 2
+        mesh = RegularMesh()
+        mesh.dimension = (n, n)
+        bbox = model.geometry.bounding_box
+        mesh.lower_left = (bbox.lower_left[0], bbox.lower_left[1])
+        mesh.upper_right = (bbox.upper_right[0], bbox.upper_right[1])
+        model.settings.random_ray['source_region_meshes'] = [
+            (mesh, [model.geometry.root_universe])]
+
+        # Set the source shape to linear
+        model.settings.random_ray['source_shape'] = 'linear'
+
+        # Set a material tally
+        t = openmc.Tally(name = 'KF Tally')
+        t.filters = [openmc.MaterialFilter(bins=1)]
+        t.scores = ['kappa-fission']
+        model.tallies.append(t)
+
+        harness = MGXSTestHarness('statepoint.10.h5', model)
+        harness.main()

From 5c502ddb3e3a4e2112b93d6afdfc7f0afbc85194 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Mon, 26 Jan 2026 11:09:58 -0600
Subject: [PATCH 2494/2654] Do not add radioactive Ta180 when calling
 add_element('Ta') (#3750)

---
 openmc/element.py                | 2 --
 tests/unit_tests/test_element.py | 4 ++--
 2 files changed, 2 insertions(+), 4 deletions(-)

diff --git a/openmc/element.py b/openmc/element.py
index f1d8f5f24..5deede971 100644
--- a/openmc/element.py
+++ b/openmc/element.py
@@ -184,8 +184,6 @@ class Element(str):
                 for nuclide in absent_nuclides:
                     if nuclide in ['O17', 'O18'] and 'O16' in mutual_nuclides:
                         abundances['O16'] += NATURAL_ABUNDANCE[nuclide]
-                    elif nuclide == 'Ta180_m1' and 'Ta180' in library_nuclides:
-                            abundances['Ta180'] = NATURAL_ABUNDANCE[nuclide]
                     elif nuclide == 'Ta180_m1' and 'Ta181' in mutual_nuclides:
                             abundances['Ta181'] += NATURAL_ABUNDANCE[nuclide]
                     elif nuclide == 'W180' and 'W182' in mutual_nuclides:
diff --git a/tests/unit_tests/test_element.py b/tests/unit_tests/test_element.py
index d91cfaf6e..82e526ec3 100644
--- a/tests/unit_tests/test_element.py
+++ b/tests/unit_tests/test_element.py
@@ -45,11 +45,11 @@ def test_expand_no_isotopes():
 
 
 def test_expand_ta():
-    ref = {'Ta180': 0.01201, 'Ta181': 99.98799}
+    ref = {'Ta181': 100.0}
     element = openmc.Element('Ta')
     for isotope in element.expand(100.0, 'ao'):
         assert isotope[1] == approx(ref[isotope[0]])
-    
+
 
 def test_expand_exceptions():
     """ Test that correct exceptions are raised for invalid input """

From db426b66ca6d40a7988f74bc0296e7a4a78a7d69 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Tue, 27 Jan 2026 07:06:36 +0100
Subject: [PATCH 2495/2654] Materials name persist when running depletion
 simulation (#3738)

Co-authored-by: GuySten <guyste@post.bgu.ac.il>
Co-authored-by: GuySten <62616591+GuySten@users.noreply.github.com>
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 docs/source/io_formats/depletion_results.rst |  1 +
 openmc/deplete/abc.py                        |  2 ++
 openmc/deplete/openmc_operator.py            | 11 ++++++++---
 openmc/deplete/stepresult.py                 | 19 +++++++++++++++----
 tests/dummy_operator.py                      |  2 +-
 tests/unit_tests/test_deplete_activation.py  |  5 +++++
 tests/unit_tests/test_deplete_decay.py       |  5 +++++
 tests/unit_tests/test_deplete_integrator.py  |  6 ++++--
 8 files changed, 41 insertions(+), 10 deletions(-)

diff --git a/docs/source/io_formats/depletion_results.rst b/docs/source/io_formats/depletion_results.rst
index b2a726dad..7fb088268 100644
--- a/docs/source/io_formats/depletion_results.rst
+++ b/docs/source/io_formats/depletion_results.rst
@@ -34,6 +34,7 @@ The current version of the depletion results file format is 1.2.
 
 :Attributes: - **index** (*int*) -- Index used in results for this material
              - **volume** (*double*) -- Volume of this material in [cm^3]
+             - **name** (*char[]*) -- Name of this material
 
 **/nuclides/<name>/**
 
diff --git a/openmc/deplete/abc.py b/openmc/deplete/abc.py
index ee742f22b..056f7c273 100644
--- a/openmc/deplete/abc.py
+++ b/openmc/deplete/abc.py
@@ -209,6 +209,8 @@ class TransportOperator(ABC):
             simulation.
         full_burn_list : list of int
             All burnable materials in the geometry.
+        name_list : list of str
+            Material names corresponding to materials in burn_list
         """
 
     def finalize(self):
diff --git a/openmc/deplete/openmc_operator.py b/openmc/deplete/openmc_operator.py
index 2d7694093..7928e89ee 100644
--- a/openmc/deplete/openmc_operator.py
+++ b/openmc/deplete/openmc_operator.py
@@ -211,7 +211,7 @@ class OpenMCOperator(TransportOperator):
                            "section data.")
                     warn(msg)
             if mat.depletable:
-                burnable_mats.add(str(mat.id))
+                burnable_mats.add((str(mat.id), mat.name))
                 if mat.volume is None:
                     if mat.name is None:
                         msg = ("Volume not specified for depletable material "
@@ -229,9 +229,12 @@ class OpenMCOperator(TransportOperator):
                 "No depletable materials were found in the model.")
 
         # Sort the sets
-        burnable_mats = sorted(burnable_mats, key=int)
+        burnable_mats = sorted(burnable_mats, key=lambda x: int(x[0]))
         model_nuclides = sorted(model_nuclides)
 
+        # Store material names for later use
+        burnable_mats, self.name_list = zip(*burnable_mats)
+
         # Construct a global nuclide dictionary, burned first
         nuclides = list(self.chain.nuclide_dict)
         for nuc in model_nuclides:
@@ -541,6 +544,8 @@ class OpenMCOperator(TransportOperator):
             A list of all material IDs to be burned.  Used for sorting the simulation.
         full_burn_list : list
             List of all burnable material IDs
+        name_list : list of str
+            Material names corresponding to materials in burn_list
 
         """
         nuc_list = self.number.burnable_nuclides
@@ -554,4 +559,4 @@ class OpenMCOperator(TransportOperator):
         volume_list = comm.allgather(volume)
         volume = {k: v for d in volume_list for k, v in d.items()}
 
-        return volume, nuc_list, burn_list, self.burnable_mats
+        return volume, nuc_list, burn_list, self.burnable_mats, self.name_list
diff --git a/openmc/deplete/stepresult.py b/openmc/deplete/stepresult.py
index ff39e9acb..27420246f 100644
--- a/openmc/deplete/stepresult.py
+++ b/openmc/deplete/stepresult.py
@@ -70,6 +70,7 @@ class StepResult:
         self.index_mat = None
         self.index_nuc = None
         self.mat_to_hdf5_ind = None
+        self.name_list = None
 
         self.data = None
 
@@ -138,7 +139,7 @@ class StepResult:
     def n_hdf5_mats(self):
         return len(self.mat_to_hdf5_ind)
 
-    def allocate(self, volume, nuc_list, burn_list, full_burn_list):
+    def allocate(self, volume, nuc_list, burn_list, full_burn_list, name_list=None):
         """Allocate memory for depletion step data
 
         Parameters
@@ -151,12 +152,15 @@ class StepResult:
             A list of all mat IDs to be burned.  Used for sorting the simulation.
         full_burn_list : list of str
             List of all burnable material IDs
+        name_list : list of str, optional
+            Material names corresponding to materials in burn_list
 
         """
         self.volume = copy.deepcopy(volume)
         self.index_nuc = {nuc: i for i, nuc in enumerate(nuc_list)}
         self.index_mat = {mat: i for i, mat in enumerate(burn_list)}
         self.mat_to_hdf5_ind = {mat: i for i, mat in enumerate(full_burn_list)}
+        self.mat_to_name = dict(zip(burn_list, name_list)) if name_list is not None else {}
 
         # Create storage array
         self.data = np.zeros((self.n_mat, self.n_nuc))
@@ -184,7 +188,7 @@ class StepResult:
 
         # Direct transfer
         direct_attrs = ("time", "k", "source_rate", "index_nuc",
-                        "mat_to_hdf5_ind", "proc_time")
+                        "mat_to_hdf5_ind", "mat_to_name", "proc_time")
         for attr in direct_attrs:
             setattr(new, attr, getattr(self, attr))
         # Get applicable slice of data
@@ -223,6 +227,8 @@ class StepResult:
                 f'mat_id {mat_id} not found in StepResult. Available mat_id '
                 f'values are {list(self.volume.keys())}'
             ) from e
+        if mat_id in self.mat_to_name:
+            material.name = self.mat_to_name[mat_id]
         for nuc, _ in sorted(self.index_nuc.items(), key=lambda x: x[1]):
             atoms = self[mat_id, nuc]
             if atoms <= 0.0:
@@ -313,6 +319,8 @@ class StepResult:
             mat_single_group = mat_group.create_group(mat)
             mat_single_group.attrs["index"] = self.mat_to_hdf5_ind[mat]
             mat_single_group.attrs["volume"] = self.volume[mat]
+            if mat in self.mat_to_name:
+                mat_single_group.attrs["name"] = self.mat_to_name[mat]
 
         nuc_group = handle.create_group("nuclides")
 
@@ -495,6 +503,7 @@ class StepResult:
         results.volume = {}
         results.index_mat = {}
         results.index_nuc = {}
+        results.mat_to_name = {}
         rxn_nuc_to_ind = {}
         rxn_to_ind = {}
 
@@ -504,6 +513,8 @@ class StepResult:
 
             results.volume[mat] = vol
             results.index_mat[mat] = ind
+            if "name" in mat_handle.attrs:
+                results.mat_to_name[mat] = mat_handle.attrs["name"]
 
         for nuc, nuc_handle in handle["/nuclides"].items():
             ind_atom = nuc_handle.attrs["atom number index"]
@@ -569,11 +580,11 @@ class StepResult:
             .. versionadded:: 0.14.0
         """
         # Get indexing terms
-        vol_dict, nuc_list, burn_list, full_burn_list = op.get_results_info()
+        vol_dict, nuc_list, burn_list, full_burn_list, name_list = op.get_results_info()
 
         # Create results
         results = StepResult()
-        results.allocate(vol_dict, nuc_list, burn_list, full_burn_list)
+        results.allocate(vol_dict, nuc_list, burn_list, full_burn_list, name_list)
 
         n_mat = len(burn_list)
 
diff --git a/tests/dummy_operator.py b/tests/dummy_operator.py
index 1bb00129d..9595765d7 100644
--- a/tests/dummy_operator.py
+++ b/tests/dummy_operator.py
@@ -243,4 +243,4 @@ class DummyOperator(TransportOperator):
             Maps cell name to index in global geometry.
 
         """
-        return self.volume, self.nuc_list, self.local_mats, self.burnable_mats
+        return self.volume, self.nuc_list, self.local_mats, self.burnable_mats, {"1": ""}
diff --git a/tests/unit_tests/test_deplete_activation.py b/tests/unit_tests/test_deplete_activation.py
index eace1976e..2f1713880 100644
--- a/tests/unit_tests/test_deplete_activation.py
+++ b/tests/unit_tests/test_deplete_activation.py
@@ -113,6 +113,11 @@ def test_activation(run_in_tmpdir, model, reaction_rate_mode, reaction_rate_opts
     assert atoms[0] == pytest.approx(n0)
     assert atoms[1] / atoms[0] == pytest.approx(0.5, rel=tolerance)
 
+    # Check that material name is preserved in depletion results
+    step_result = results[0]
+    mat_from_results = step_result.get_material(f"{w.id}")
+    assert mat_from_results.name == 'tungsten'
+
 
 def test_decay(run_in_tmpdir):
     """Test decay-only timesteps where no transport solve is performed"""
diff --git a/tests/unit_tests/test_deplete_decay.py b/tests/unit_tests/test_deplete_decay.py
index 6e7b0b101..db96fcbe2 100644
--- a/tests/unit_tests/test_deplete_decay.py
+++ b/tests/unit_tests/test_deplete_decay.py
@@ -82,3 +82,8 @@ def test_deplete_decay_step_fissionable(run_in_tmpdir):
     _, u238 = results.get_atoms(f"{mat.id}", "U238")
 
     assert u238[1] == pytest.approx(original_atoms)
+
+    # Check that material name is preserved in depletion results
+    step_result = results[0]
+    mat_from_results = step_result.get_material(f"{mat.id}")
+    assert mat_from_results.name == 'I do not decay.'
diff --git a/tests/unit_tests/test_deplete_integrator.py b/tests/unit_tests/test_deplete_integrator.py
index 6463eaa20..558cb434b 100644
--- a/tests/unit_tests/test_deplete_integrator.py
+++ b/tests/unit_tests/test_deplete_integrator.py
@@ -59,8 +59,9 @@ def test_results_save(run_in_tmpdir):
     burn_list = full_burn_list[2*comm.rank: 2*comm.rank + 2]
     nuc_list = ["na", "nb"]
 
+    name_list = {mat: "" for mat in full_burn_list}
     op.get_results_info.return_value = (
-        vol_dict, nuc_list, burn_list, full_burn_list)
+        vol_dict, nuc_list, burn_list, full_burn_list, name_list)
 
     # Construct end-of-step concentrations
     x1 = [rng.random(2), rng.random(2)]
@@ -130,7 +131,8 @@ def test_results_save_without_rates(run_in_tmpdir):
     vol_dict = {"0": 1.0}
     nuc_list = ["na"]
     burn_list = ["0"]
-    op.get_results_info.return_value = (vol_dict, nuc_list, burn_list, burn_list)
+    name_list = {mat: "" for mat in burn_list}
+    op.get_results_info.return_value = (vol_dict, nuc_list, burn_list, burn_list, name_list)
 
     x = [np.array([1.0])]
     rates = ReactionRates(burn_list, nuc_list, ["ra"])

From 008d58460779c896342d59265390c76bee762d49 Mon Sep 17 00:00:00 2001
From: GuySten <62616591+GuySten@users.noreply.github.com>
Date: Wed, 28 Jan 2026 10:02:02 +0200
Subject: [PATCH 2496/2654] Warn users when setting undefined attributes in
 ```openmc.Settings``` (#3746)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/settings.py | 13 ++++++++++++-
 1 file changed, 12 insertions(+), 1 deletion(-)

diff --git a/openmc/settings.py b/openmc/settings.py
index a022b045f..3cf662e31 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -4,13 +4,14 @@ import itertools
 from math import ceil
 from numbers import Integral, Real
 from pathlib import Path
+import traceback
 
 import lxml.etree as ET
 import warnings
 import openmc
 import openmc.checkvalue as cv
 from openmc.checkvalue import PathLike
-from openmc.stats.multivariate import MeshSpatial, Box, PolarAzimuthal, Isotropic
+from openmc.stats.multivariate import MeshSpatial
 from ._xml import clean_indentation, get_elem_list, get_text
 from .mesh import _read_meshes, RegularMesh, MeshBase
 from .source import SourceBase, MeshSource, IndependentSource
@@ -467,6 +468,16 @@ class Settings:
         for key, value in kwargs.items():
             setattr(self, key, value)
 
+    def __setattr__(self, name: str, value):
+        if not name.startswith('_'):
+            try:
+                getattr(self, name)
+            except AttributeError as e:
+                msg, = traceback.format_exception_only(e)
+                msg = msg.strip().split(maxsplit=1)[-1]
+                warnings.warn(msg, stacklevel=2)
+        super().__setattr__(name, value)
+
     @property
     def run_mode(self) -> str:
         return self._run_mode.value

From f7a734189a79c329363495b0ef6aa730424443d7 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 29 Jan 2026 01:20:48 -0600
Subject: [PATCH 2497/2654] Optionally compute bounding boxes in
 Mesh.material_volumes (#3731)

---
 include/openmc/capi.h         |   2 +-
 include/openmc/mesh.h         |  38 ++++++-
 openmc/deplete/r2s.py         |  45 ++++-----
 openmc/lib/mesh.py            |  28 ++++-
 openmc/mesh.py                |  82 ++++++++++++---
 src/mesh.cpp                  | 185 +++++++++++++++++++++++++++++++---
 tests/unit_tests/test_mesh.py |  92 +++++++++++++++++
 7 files changed, 413 insertions(+), 59 deletions(-)

diff --git a/include/openmc/capi.h b/include/openmc/capi.h
index d8041ef41..749dc98a0 100644
--- a/include/openmc/capi.h
+++ b/include/openmc/capi.h
@@ -116,7 +116,7 @@ int openmc_mesh_set_id(int32_t index, int32_t id);
 int openmc_mesh_get_n_elements(int32_t index, size_t* n);
 int openmc_mesh_get_volumes(int32_t index, double* volumes);
 int openmc_mesh_material_volumes(int32_t index, int nx, int ny, int nz,
-  int max_mats, int32_t* materials, double* volumes);
+  int max_mats, int32_t* materials, double* volumes, double* bboxes);
 int openmc_meshsurface_filter_get_mesh(int32_t index, int32_t* index_mesh);
 int openmc_meshsurface_filter_set_mesh(int32_t index, int32_t index_mesh);
 int openmc_new_filter(const char* type, int32_t* index);
diff --git a/include/openmc/mesh.h b/include/openmc/mesh.h
index 2936d3ab1..5dc327fe3 100644
--- a/include/openmc/mesh.h
+++ b/include/openmc/mesh.h
@@ -88,8 +88,12 @@ namespace detail {
 
 class MaterialVolumes {
 public:
+  MaterialVolumes(int32_t* mats, double* vols, double* bboxes, int table_size)
+    : materials_(mats), volumes_(vols), bboxes_(bboxes), table_size_(table_size)
+  {}
+
   MaterialVolumes(int32_t* mats, double* vols, int table_size)
-    : materials_(mats), volumes_(vols), table_size_(table_size)
+    : MaterialVolumes(mats, vols, nullptr, table_size)
   {}
 
   //! Add volume for a given material in a mesh element
@@ -97,8 +101,11 @@ public:
   //! \param[in] index_elem Index of the mesh element
   //! \param[in] index_material Index of the material within the model
   //! \param[in] volume Volume to add
-  void add_volume(int index_elem, int index_material, double volume);
-  void add_volume_unsafe(int index_elem, int index_material, double volume);
+  //! \param[in] bbox Bounding box to union into the result (optional)
+  void add_volume(int index_elem, int index_material, double volume,
+    const BoundingBox* bbox = nullptr);
+  void add_volume_unsafe(int index_elem, int index_material, double volume,
+    const BoundingBox* bbox = nullptr);
 
   // Accessors
   int32_t& materials(int i, int j) { return materials_[i * table_size_ + j]; }
@@ -113,11 +120,23 @@ public:
     return volumes_[i * table_size_ + j];
   }
 
+  double& bboxes(int i, int j, int k)
+  {
+    return bboxes_[(i * table_size_ + j) * 6 + k];
+  }
+  const double& bboxes(int i, int j, int k) const
+  {
+    return bboxes_[(i * table_size_ + j) * 6 + k];
+  }
+
+  bool has_bboxes() const { return bboxes_ != nullptr; }
+
   bool table_full() const { return table_full_; }
 
 private:
   int32_t* materials_;      //!< material index (bins, table_size)
   double* volumes_;         //!< volume in [cm^3] (bins, table_size)
+  double* bboxes_;          //!< bounding boxes (bins, table_size, 6)
   int table_size_;          //!< Size of hash table for each mesh element
   bool table_full_ {false}; //!< Whether the hash table is full
 };
@@ -240,6 +259,19 @@ public:
   void material_volumes(int nx, int ny, int nz, int max_materials,
     int32_t* materials, double* volumes) const;
 
+  //! Determine volume and bounding boxes of materials within each mesh element
+  //
+  //! \param[in] nx Number of samples in x direction
+  //! \param[in] ny Number of samples in y direction
+  //! \param[in] nz Number of samples in z direction
+  //! \param[in] max_materials Maximum number of materials in a single mesh
+  //!                          element
+  //! \param[inout] materials Array storing material indices
+  //! \param[inout] volumes Array storing volumes
+  //! \param[inout] bboxes Array storing bounding boxes (n_elems, table_size, 6)
+  void material_volumes(int nx, int ny, int nz, int max_materials,
+    int32_t* materials, double* volumes, double* bboxes) const;
+
   //! Determine bounding box of mesh
   //
   //! \return Bounding box of mesh
diff --git a/openmc/deplete/r2s.py b/openmc/deplete/r2s.py
index 97277cbda..57bbe437f 100644
--- a/openmc/deplete/r2s.py
+++ b/openmc/deplete/r2s.py
@@ -269,6 +269,7 @@ class R2SManager:
             # Compute material volume fractions on the mesh
             if mat_vol_kwargs is None:
                 mat_vol_kwargs = {}
+            mat_vol_kwargs.setdefault('bounding_boxes', True)
             self.results['mesh_material_volumes'] = mmv = comm.bcast(
                 self.domains.material_volumes(self.neutron_model, **mat_vol_kwargs))
 
@@ -539,14 +540,15 @@ class R2SManager:
     def get_decay_photon_source_mesh(
         self,
         time_index: int = -1
-    ) -> list[openmc.MeshSource]:
+    ) -> list[openmc.IndependentSource]:
         """Create decay photon source for a mesh-based calculation.
 
-        This function creates N :class:`MeshSource` objects where N is the
-        maximum number of unique materials that appears in a single mesh
-        element. For each mesh element-material combination, and
-        IndependentSource instance is created with a spatial constraint limited
-        the sampled decay photons to the correct region.
+        For each mesh element-material combination, an
+        :class:`~openmc.IndependentSource` is created with a
+        :class:`~openmc.stats.Box` spatial distribution based on the bounding
+        box of the material within the mesh element. A material constraint is
+        also applied so that sampled source sites are limited to the correct
+        region.
 
         When the photon transport model is different from the neutron model, the
         photon MeshMaterialVolumes is used to determine whether an (element,
@@ -559,19 +561,15 @@ class R2SManager:
 
         Returns
         -------
-        list of openmc.MeshSource
-            A list of MeshSource objects, each containing IndependentSource
-            instances for the decay photons in the corresponding mesh element.
+        list of openmc.IndependentSource
+            A list of IndependentSource objects for the decay photons, one for
+            each mesh element-material combination with non-zero source strength.
 
         """
         mat_dict = self.neutron_model._get_all_materials()
 
-        # Some MeshSource objects will have empty positions; create a "null source"
-        # that is used for this case
-        null_source = openmc.IndependentSource(particle='photon', strength=0.0)
-
-        # List to hold sources for each MeshSource (length = N)
-        source_lists = []
+        # List to hold all sources
+        sources = []
 
         # Index in the overall list of activated materials
         index_mat = 0
@@ -594,7 +592,7 @@ class R2SManager:
                     if mat_id is not None
                 }
 
-            for j, (mat_id, _) in enumerate(mat_vols.by_element(index_elem)):
+            for mat_id, _, bbox in mat_vols.by_element(index_elem, include_bboxes=True):
                 # Skip void volume
                 if mat_id is None:
                     continue
@@ -604,30 +602,27 @@ class R2SManager:
                     index_mat += 1
                     continue
 
-                # Check whether a new MeshSource object is needed
-                if j >= len(source_lists):
-                    source_lists.append([null_source]*n_elements)
-
                 # Get activated material composition
                 original_mat = materials[index_mat]
                 activated_mat = results[time_index].get_material(str(original_mat.id))
 
-                # Create decay photon source source
+                # Create decay photon source
                 energy = activated_mat.get_decay_photon_energy()
                 if energy is not None:
                     strength = energy.integral()
-                    source_lists[j][index_elem] = openmc.IndependentSource(
+                    space = openmc.stats.Box(*bbox)
+                    sources.append(openmc.IndependentSource(
+                        space=space,
                         energy=energy,
                         particle='photon',
                         strength=strength,
                         constraints={'domains': [mat_dict[mat_id]]}
-                    )
+                    ))
 
                 # Increment index of activated material
                 index_mat += 1
 
-        # Return list of mesh sources
-        return [openmc.MeshSource(self.domains, sources) for sources in source_lists]
+        return sources
 
     def load_results(self, path: PathLike):
         """Load results from a previous R2S calculation.
diff --git a/openmc/lib/mesh.py b/openmc/lib/mesh.py
index 3a720f98a..19e6f74d7 100644
--- a/openmc/lib/mesh.py
+++ b/openmc/lib/mesh.py
@@ -1,5 +1,5 @@
 from collections.abc import Mapping, Sequence
-from ctypes import (c_int, c_int32, c_char_p, c_double, POINTER,
+from ctypes import (c_int, c_int32, c_char_p, c_double, POINTER, c_void_p,
                     create_string_buffer, c_size_t)
 from math import sqrt
 import sys
@@ -47,7 +47,8 @@ _dll.openmc_mesh_bounding_box.argtypes = [
 _dll.openmc_mesh_bounding_box.restype = c_int
 _dll.openmc_mesh_bounding_box.errcheck = _error_handler
 _dll.openmc_mesh_material_volumes.argtypes = [
-    c_int32, c_int, c_int, c_int, c_int, arr_2d_int32, arr_2d_double]
+    c_int32, c_int, c_int, c_int, c_int, arr_2d_int32, arr_2d_double,
+    c_void_p]
 _dll.openmc_mesh_material_volumes.restype = c_int
 _dll.openmc_mesh_material_volumes.errcheck = _error_handler
 _dll.openmc_mesh_get_plot_bins.argtypes = [
@@ -188,6 +189,7 @@ class Mesh(_FortranObjectWithID):
             n_samples: int | tuple[int, int, int] = 10_000,
             max_materials: int = 4,
             output: bool = True,
+            bounding_boxes: bool = False,
     ) -> MeshMaterialVolumes:
         """Determine volume of materials in each mesh element.
 
@@ -213,6 +215,11 @@ class Mesh(_FortranObjectWithID):
             Estimated maximum number of materials in any given mesh element.
         output : bool, optional
             Whether or not to show output.
+        bounding_boxes : bool, optional
+            Whether or not to compute an axis-aligned bounding box for each
+            (mesh element, material) combination. When enabled, the bounding
+            box encloses the ray-estimator prisms used for the volume
+            estimation.
 
         Returns
         -------
@@ -243,23 +250,36 @@ class Mesh(_FortranObjectWithID):
         table_size = slot_factor*max_materials
         materials = np.full((n, table_size), EMPTY_SLOT, dtype=np.int32)
         volumes = np.zeros((n, table_size), dtype=np.float64)
+        bboxes = None
+        if bounding_boxes:
+            bboxes = np.empty((n, table_size, 6), dtype=np.float64)
+            bboxes[..., 0:3] = np.inf
+            bboxes[..., 3:6] = -np.inf
 
         # Run material volume calculation
         while True:
             try:
+                bboxes_ptr = None
+                if bboxes is not None:
+                    bboxes_ptr = bboxes.ctypes.data_as(POINTER(c_double))
                 with quiet_dll(output):
                     _dll.openmc_mesh_material_volumes(
-                        self._index, nx, ny, nz, table_size, materials, volumes)
+                        self._index, nx, ny, nz, table_size, materials,
+                        volumes, bboxes_ptr)
             except AllocationError:
                 # Increase size of result array and try again
                 table_size *= 2
                 materials = np.full((n, table_size), EMPTY_SLOT, dtype=np.int32)
                 volumes = np.zeros((n, table_size), dtype=np.float64)
+                if bounding_boxes:
+                    bboxes = np.empty((n, table_size, 6), dtype=np.float64)
+                    bboxes[..., 0:3] = np.inf
+                    bboxes[..., 3:6] = -np.inf
             else:
                 # If no error, break out of loop
                 break
 
-        return MeshMaterialVolumes(materials, volumes)
+        return MeshMaterialVolumes(materials, volumes, bboxes)
 
     def get_plot_bins(
             self,
diff --git a/openmc/mesh.py b/openmc/mesh.py
index 12e879810..efe1c20a1 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -17,6 +17,7 @@ import openmc
 import openmc.checkvalue as cv
 from openmc.checkvalue import PathLike
 from openmc.utility_funcs import change_directory
+from .bounding_box import BoundingBox
 from ._xml import get_elem_list, get_text
 from .mixin import IDManagerMixin
 from .surface import _BOUNDARY_TYPES
@@ -40,6 +41,11 @@ class MeshMaterialVolumes(Mapping):
         Array of shape (elements, max_materials) storing material IDs
     volumes : numpy.ndarray
         Array of shape (elements, max_materials) storing material volumes
+    bboxes : numpy.ndarray, optional
+        Array of shape (elements, max_materials, 6) storing axis-aligned
+        bounding boxes for each (element, material) combination with ordering
+        (xmin, ymin, zmin, xmax, ymax, zmax). Bounding boxes enclose the
+        ray-estimator prisms used to compute volumes.
 
     See Also
     --------
@@ -64,9 +70,30 @@ class MeshMaterialVolumes(Mapping):
     [(2, 31.87963824195591), (1, 6.129949130817542)]
 
     """
-    def __init__(self, materials: np.ndarray, volumes: np.ndarray):
+    def __init__(
+        self,
+        materials: np.ndarray,
+        volumes: np.ndarray,
+        bboxes: np.ndarray | None = None
+    ):
         self._materials = materials
         self._volumes = volumes
+        self._bboxes = bboxes
+
+        if self._bboxes is not None:
+            if self._bboxes.shape[:2] != self._materials.shape:
+                raise ValueError(
+                    'bboxes must have shape (elements, max_materials, 6) '
+                    'matching materials/volumes.'
+                )
+            if self._bboxes.shape[2] != 6:
+                raise ValueError(
+                    'bboxes must have shape (elements, max_materials, 6).'
+                )
+
+    @property
+    def has_bounding_boxes(self) -> bool:
+        return self._bboxes is not None
 
     @property
     def num_elements(self) -> int:
@@ -92,7 +119,11 @@ class MeshMaterialVolumes(Mapping):
             volumes[indices] = self._volumes[indices, i]
         return volumes
 
-    def by_element(self, index_elem: int) -> list[tuple[int | None, float]]:
+    def by_element(
+        self,
+        index_elem: int,
+        include_bboxes: bool = False
+    ) -> list[tuple[int | None, float] | tuple[int | None, float, BoundingBox | None]]:
         """Get a list of volumes for each material within a specific element.
 
         Parameters
@@ -102,15 +133,32 @@ class MeshMaterialVolumes(Mapping):
 
         Returns
         -------
-        list of tuple of (material ID, volume)
+        list of tuple
+            If ``include_bboxes`` is False (default), returns tuples of
+            (material ID, volume). If ``include_bboxes`` is True, returns
+            tuples of (material ID, volume, bounding box).
 
         """
         table_size = self._volumes.shape[1]
-        return [
-            (m if m > -1 else None, self._volumes[index_elem, i])
-            for i in range(table_size)
-            if (m := self._materials[index_elem, i]) != -2
-        ]
+        if include_bboxes and self._bboxes is None:
+            raise ValueError('Bounding boxes were not computed for this object.')
+
+        results = []
+        for i in range(table_size):
+            m = self._materials[index_elem, i]
+            if m == -2:
+                continue
+            mat_id = m if m > -1 else None
+            vol = self._volumes[index_elem, i]
+
+            if include_bboxes:
+                vals = self._bboxes[index_elem, i]
+                bbox = BoundingBox(vals[0:3], vals[3:6])
+                results.append((mat_id, vol, bbox))
+            else:
+                results.append((mat_id, vol))
+
+        return results
 
     def save(self, filename: PathLike):
         """Save material volumes to a .npz file.
@@ -120,8 +168,10 @@ class MeshMaterialVolumes(Mapping):
         filename : path-like
             Filename where data will be saved
         """
-        np.savez_compressed(
-            filename, materials=self._materials, volumes=self._volumes)
+        kwargs = {'materials': self._materials, 'volumes': self._volumes}
+        if self._bboxes is not None:
+            kwargs['bboxes'] = self._bboxes
+        np.savez_compressed(filename, **kwargs)
 
     @classmethod
     def from_npz(cls, filename: PathLike) -> MeshMaterialVolumes:
@@ -134,7 +184,8 @@ class MeshMaterialVolumes(Mapping):
 
         """
         filedata = np.load(filename)
-        return cls(filedata['materials'], filedata['volumes'])
+        bboxes = filedata['bboxes'] if 'bboxes' in filedata.files else None
+        return cls(filedata['materials'], filedata['volumes'], bboxes)
 
 
 class MeshBase(IDManagerMixin, ABC):
@@ -387,6 +438,7 @@ class MeshBase(IDManagerMixin, ABC):
             model: openmc.Model,
             n_samples: int | tuple[int, int, int] = 10_000,
             max_materials: int = 4,
+            bounding_boxes: bool = False,
             **kwargs
     ) -> MeshMaterialVolumes:
         """Determine volume of materials in each mesh element.
@@ -409,6 +461,11 @@ class MeshBase(IDManagerMixin, ABC):
             the x, y, and z dimensions.
         max_materials : int, optional
             Estimated maximum number of materials in any given mesh element.
+        bounding_boxes : bool, optional
+            Whether to compute an axis-aligned bounding box for each
+            (mesh element, material) combination. When enabled, the bounding
+            box encloses the ray-estimator prisms used for the volume
+            estimation.
         **kwargs : dict
             Keyword arguments passed to :func:`openmc.lib.init`
 
@@ -440,7 +497,8 @@ class MeshBase(IDManagerMixin, ABC):
 
             # Compute material volumes
             volumes = mesh.material_volumes(
-                n_samples, max_materials, output=kwargs['output'])
+                n_samples, max_materials, output=kwargs['output'],
+                bounding_boxes=bounding_boxes)
 
         # Restore original tallies
         model.tallies = original_tallies
diff --git a/src/mesh.cpp b/src/mesh.cpp
index 6ee15b9c1..0b45774ff 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -1,6 +1,8 @@
 #include "openmc/mesh.h"
 #include <algorithm> // for copy, equal, min, min_element
 #include <cassert>
+#include <cstdint>        // for uint64_t
+#include <cstring>        // for memcpy
 #define _USE_MATH_DEFINES // to make M_PI declared in Intel and MSVC compilers
 #include <cmath>          // for ceil
 #include <cstddef>        // for size_t
@@ -140,6 +142,63 @@ inline bool atomic_cas_int32(int32_t* ptr, int32_t& expected, int32_t desired)
 #endif
 }
 
+// Helper function equivalent to std::bit_cast in C++20
+template<typename To, typename From>
+inline To bit_cast_value(const From& value)
+{
+  To out;
+  std::memcpy(&out, &value, sizeof(To));
+  return out;
+}
+
+inline void atomic_update_double(double* ptr, double value, bool is_min)
+{
+#if defined(__GNUC__) || defined(__clang__)
+  using may_alias_uint64_t [[gnu::may_alias]] = uint64_t;
+  auto* bits_ptr = reinterpret_cast<may_alias_uint64_t*>(ptr);
+  uint64_t current_bits = __atomic_load_n(bits_ptr, __ATOMIC_SEQ_CST);
+  double current = bit_cast_value<double>(current_bits);
+  while (is_min ? (value < current) : (value > current)) {
+    uint64_t desired_bits = bit_cast_value<uint64_t>(value);
+    uint64_t expected_bits = current_bits;
+    if (__atomic_compare_exchange_n(bits_ptr, &expected_bits, desired_bits,
+          false, __ATOMIC_SEQ_CST, __ATOMIC_SEQ_CST)) {
+      return;
+    }
+    current_bits = expected_bits;
+    current = bit_cast_value<double>(current_bits);
+  }
+
+#elif defined(_MSC_VER)
+  auto* bits_ptr = reinterpret_cast<volatile long long*>(ptr);
+  long long current_bits = *bits_ptr;
+  double current = bit_cast_value<double>(current_bits);
+  while (is_min ? (value < current) : (value > current)) {
+    long long desired_bits = bit_cast_value<long long>(value);
+    long long old_bits =
+      _InterlockedCompareExchange64(bits_ptr, desired_bits, current_bits);
+    if (old_bits == current_bits) {
+      return;
+    }
+    current_bits = old_bits;
+    current = bit_cast_value<double>(current_bits);
+  }
+
+#else
+#error "No compare-and-swap implementation available for this compiler."
+#endif
+}
+
+inline void atomic_max_double(double* ptr, double value)
+{
+  atomic_update_double(ptr, value, false);
+}
+
+inline void atomic_min_double(double* ptr, double value)
+{
+  atomic_update_double(ptr, value, true);
+}
+
 namespace detail {
 
 //==============================================================================
@@ -147,7 +206,7 @@ namespace detail {
 //==============================================================================
 
 void MaterialVolumes::add_volume(
-  int index_elem, int index_material, double volume)
+  int index_elem, int index_material, double volume, const BoundingBox* bbox)
 {
   // This method handles adding elements to the materials hash table,
   // implementing open addressing with linear probing. Consistency across
@@ -166,10 +225,18 @@ void MaterialVolumes::add_volume(
     // Non-atomic read of current material
     int32_t current_val = *slot_ptr;
 
-    // Found the desired material; accumulate volume
+    // Found the desired material; accumulate volume and bbox
     if (current_val == index_material) {
 #pragma omp atomic
       this->volumes(index_elem, slot) += volume;
+      if (bbox) {
+        atomic_min_double(&this->bboxes(index_elem, slot, 0), bbox->min.x);
+        atomic_min_double(&this->bboxes(index_elem, slot, 1), bbox->min.y);
+        atomic_min_double(&this->bboxes(index_elem, slot, 2), bbox->min.z);
+        atomic_max_double(&this->bboxes(index_elem, slot, 3), bbox->max.x);
+        atomic_max_double(&this->bboxes(index_elem, slot, 4), bbox->max.y);
+        atomic_max_double(&this->bboxes(index_elem, slot, 5), bbox->max.z);
+      }
       return;
     }
 
@@ -185,6 +252,14 @@ void MaterialVolumes::add_volume(
       if (claimed_slot || (expected_val == index_material)) {
 #pragma omp atomic
         this->volumes(index_elem, slot) += volume;
+        if (bbox) {
+          atomic_min_double(&this->bboxes(index_elem, slot, 0), bbox->min.x);
+          atomic_min_double(&this->bboxes(index_elem, slot, 1), bbox->min.y);
+          atomic_min_double(&this->bboxes(index_elem, slot, 2), bbox->min.z);
+          atomic_max_double(&this->bboxes(index_elem, slot, 3), bbox->max.x);
+          atomic_max_double(&this->bboxes(index_elem, slot, 4), bbox->max.y);
+          atomic_max_double(&this->bboxes(index_elem, slot, 5), bbox->max.z);
+        }
         return;
       }
     }
@@ -195,7 +270,7 @@ void MaterialVolumes::add_volume(
 }
 
 void MaterialVolumes::add_volume_unsafe(
-  int index_elem, int index_material, double volume)
+  int index_elem, int index_material, double volume, const BoundingBox* bbox)
 {
   // Linear probe
   for (int attempt = 0; attempt < table_size_; ++attempt) {
@@ -207,9 +282,23 @@ void MaterialVolumes::add_volume_unsafe(
     // Read current material
     int32_t current_val = this->materials(index_elem, slot);
 
-    // Found the desired material; accumulate volume
+    // Found the desired material; accumulate volume and bbox
     if (current_val == index_material) {
       this->volumes(index_elem, slot) += volume;
+      if (bbox) {
+        this->bboxes(index_elem, slot, 0) =
+          std::min(this->bboxes(index_elem, slot, 0), bbox->min.x);
+        this->bboxes(index_elem, slot, 1) =
+          std::min(this->bboxes(index_elem, slot, 1), bbox->min.y);
+        this->bboxes(index_elem, slot, 2) =
+          std::min(this->bboxes(index_elem, slot, 2), bbox->min.z);
+        this->bboxes(index_elem, slot, 3) =
+          std::max(this->bboxes(index_elem, slot, 3), bbox->max.x);
+        this->bboxes(index_elem, slot, 4) =
+          std::max(this->bboxes(index_elem, slot, 4), bbox->max.y);
+        this->bboxes(index_elem, slot, 5) =
+          std::max(this->bboxes(index_elem, slot, 5), bbox->max.z);
+      }
       return;
     }
 
@@ -217,6 +306,20 @@ void MaterialVolumes::add_volume_unsafe(
     if (current_val == EMPTY) {
       this->materials(index_elem, slot) = index_material;
       this->volumes(index_elem, slot) += volume;
+      if (bbox) {
+        this->bboxes(index_elem, slot, 0) =
+          std::min(this->bboxes(index_elem, slot, 0), bbox->min.x);
+        this->bboxes(index_elem, slot, 1) =
+          std::min(this->bboxes(index_elem, slot, 1), bbox->min.y);
+        this->bboxes(index_elem, slot, 2) =
+          std::min(this->bboxes(index_elem, slot, 2), bbox->min.z);
+        this->bboxes(index_elem, slot, 3) =
+          std::max(this->bboxes(index_elem, slot, 3), bbox->max.x);
+        this->bboxes(index_elem, slot, 4) =
+          std::max(this->bboxes(index_elem, slot, 4), bbox->max.y);
+        this->bboxes(index_elem, slot, 5) =
+          std::max(this->bboxes(index_elem, slot, 5), bbox->max.z);
+      }
       return;
     }
   }
@@ -333,6 +436,12 @@ vector<double> Mesh::volumes() const
 
 void Mesh::material_volumes(int nx, int ny, int nz, int table_size,
   int32_t* materials, double* volumes) const
+{
+  this->material_volumes(nx, ny, nz, table_size, materials, volumes, nullptr);
+}
+
+void Mesh::material_volumes(int nx, int ny, int nz, int table_size,
+  int32_t* materials, double* volumes, double* bboxes) const
 {
   if (mpi::master) {
     header("MESH MATERIAL VOLUMES CALCULATION", 7);
@@ -351,7 +460,8 @@ void Mesh::material_volumes(int nx, int ny, int nz, int table_size,
   timer.start();
 
   // Create object for keeping track of materials/volumes
-  detail::MaterialVolumes result(materials, volumes, table_size);
+  detail::MaterialVolumes result(materials, volumes, bboxes, table_size);
+  bool compute_bboxes = bboxes != nullptr;
 
   // Determine bounding box
   auto bbox = this->bounding_box();
@@ -370,8 +480,8 @@ void Mesh::material_volumes(int nx, int ny, int nz, int table_size,
 #pragma omp parallel
   {
     // Preallocate vector for mesh indices and length fractions and particle
-    std::vector<int> bins;
-    std::vector<double> length_fractions;
+    vector<int> bins;
+    vector<double> length_fractions;
     Particle p;
 
     SourceSite site;
@@ -453,12 +563,36 @@ void Mesh::material_volumes(int nx, int ny, int nz, int table_size,
             if (i_material != C_NONE) {
               i_material = model::materials[i_material]->id();
             }
+            double cumulative_frac = 0.0;
             for (int i_bin = 0; i_bin < bins.size(); i_bin++) {
               int mesh_index = bins[i_bin];
               double length = distance * length_fractions[i_bin];
+              double volume = length * d1 * d2;
 
-              // Add volume to result
-              result.add_volume(mesh_index, i_material, length * d1 * d2);
+              if (compute_bboxes) {
+                double axis_start = r0[axis] + distance * cumulative_frac;
+                double axis_end = axis_start + length;
+                cumulative_frac += length_fractions[i_bin];
+
+                Position contrib_min = site.r;
+                Position contrib_max = site.r;
+
+                contrib_min[ax1] = site.r[ax1] - 0.5 * d1;
+                contrib_max[ax1] = site.r[ax1] + 0.5 * d1;
+                contrib_min[ax2] = site.r[ax2] - 0.5 * d2;
+                contrib_max[ax2] = site.r[ax2] + 0.5 * d2;
+                contrib_min[axis] = std::min(axis_start, axis_end);
+                contrib_max[axis] = std::max(axis_start, axis_end);
+
+                BoundingBox contrib_bbox {contrib_min, contrib_max};
+                contrib_bbox &= bbox;
+
+                result.add_volume(
+                  mesh_index, i_material, volume, &contrib_bbox);
+              } else {
+                // Add volume to result
+                result.add_volume(mesh_index, i_material, volume);
+              }
             }
 
             if (distance == max_distance)
@@ -505,10 +639,15 @@ void Mesh::material_volumes(int nx, int ny, int nz, int table_size,
   // Combine results from multiple MPI processes
   if (mpi::n_procs > 1) {
     int total = this->n_bins() * table_size;
+    int total_bbox = total * 6;
     if (mpi::master) {
       // Allocate temporary buffer for receiving data
-      std::vector<int32_t> mats(total);
-      std::vector<double> vols(total);
+      vector<int32_t> mats(total);
+      vector<double> vols(total);
+      vector<double> recv_bboxes;
+      if (compute_bboxes) {
+        recv_bboxes.resize(total_bbox);
+      }
 
       for (int i = 1; i < mpi::n_procs; ++i) {
         // Receive material indices and volumes from process i
@@ -516,6 +655,10 @@ void Mesh::material_volumes(int nx, int ny, int nz, int table_size,
           MPI_STATUS_IGNORE);
         MPI_Recv(vols.data(), total, MPI_DOUBLE, i, i, mpi::intracomm,
           MPI_STATUS_IGNORE);
+        if (compute_bboxes) {
+          MPI_Recv(recv_bboxes.data(), total_bbox, MPI_DOUBLE, i, i,
+            mpi::intracomm, MPI_STATUS_IGNORE);
+        }
 
         // Combine with existing results; we can call thread unsafe version of
         // add_volume because each thread is operating on a different element
@@ -524,7 +667,18 @@ void Mesh::material_volumes(int nx, int ny, int nz, int table_size,
           for (int k = 0; k < table_size; ++k) {
             int index = index_elem * table_size + k;
             if (mats[index] != EMPTY) {
-              result.add_volume_unsafe(index_elem, mats[index], vols[index]);
+              if (compute_bboxes) {
+                int bbox_index = index * 6;
+                BoundingBox slot_bbox {
+                  {recv_bboxes[bbox_index + 0], recv_bboxes[bbox_index + 1],
+                    recv_bboxes[bbox_index + 2]},
+                  {recv_bboxes[bbox_index + 3], recv_bboxes[bbox_index + 4],
+                    recv_bboxes[bbox_index + 5]}};
+                result.add_volume_unsafe(
+                  index_elem, mats[index], vols[index], &slot_bbox);
+              } else {
+                result.add_volume_unsafe(index_elem, mats[index], vols[index]);
+              }
             }
           }
         }
@@ -533,6 +687,9 @@ void Mesh::material_volumes(int nx, int ny, int nz, int table_size,
       // Send material indices and volumes to process 0
       MPI_Send(materials, total, MPI_INT32_T, 0, mpi::rank, mpi::intracomm);
       MPI_Send(volumes, total, MPI_DOUBLE, 0, mpi::rank, mpi::intracomm);
+      if (compute_bboxes) {
+        MPI_Send(bboxes, total_bbox, MPI_DOUBLE, 0, mpi::rank, mpi::intracomm);
+      }
     }
   }
 
@@ -2428,14 +2585,14 @@ extern "C" int openmc_mesh_bounding_box(int32_t index, double* ll, double* ur)
 }
 
 extern "C" int openmc_mesh_material_volumes(int32_t index, int nx, int ny,
-  int nz, int table_size, int32_t* materials, double* volumes)
+  int nz, int table_size, int32_t* materials, double* volumes, double* bboxes)
 {
   if (int err = check_mesh(index))
     return err;
 
   try {
     model::meshes[index]->material_volumes(
-      nx, ny, nz, table_size, materials, volumes);
+      nx, ny, nz, table_size, materials, volumes, bboxes);
   } catch (const std::exception& e) {
     set_errmsg(e.what());
     if (starts_with(e.what(), "Mesh")) {
diff --git a/tests/unit_tests/test_mesh.py b/tests/unit_tests/test_mesh.py
index 9aca8b596..c5855a7b0 100644
--- a/tests/unit_tests/test_mesh.py
+++ b/tests/unit_tests/test_mesh.py
@@ -1,6 +1,8 @@
 from math import pi
 from tempfile import TemporaryDirectory
 from pathlib import Path
+import itertools
+import random
 
 import h5py
 import numpy as np
@@ -691,6 +693,49 @@ def test_mesh_material_volumes_serialize():
     assert new_volumes.by_element(3) == [(2, 1.0)]
 
 
+def test_mesh_material_volumes_serialize_with_bboxes():
+    materials = np.array([
+        [1, -1, -2],
+        [-1, -2, -2],
+        [2, 1, -2],
+        [2, -2, -2]
+    ])
+    volumes = np.array([
+        [0.5, 0.5, 0.0],
+        [1.0, 0.0, 0.0],
+        [0.5, 0.5, 0.0],
+        [1.0, 0.0, 0.0]
+    ])
+
+    # (xmin, ymin, zmin, xmax, ymax, zmax)
+    bboxes = np.empty((4, 3, 6))
+    bboxes[..., 0:3] = np.inf
+    bboxes[..., 3:6] = -np.inf
+    bboxes[0, 0] = [-1.0, -2.0, -3.0, 1.0, 2.0, 3.0]    # material 1
+    bboxes[0, 1] = [-5.0, -6.0, -7.0, 5.0, 6.0, 7.0]    # void
+    bboxes[1, 0] = [0.0, 0.0, 0.0, 10.0, 1.0, 2.0]      # void
+    bboxes[2, 0] = [-1.0, -1.0, -1.0, 0.0, 0.0, 0.0]    # material 2
+    bboxes[2, 1] = [0.0, 0.0, 0.0, 1.0, 1.0, 1.0]       # material 1
+    bboxes[3, 0] = [-2.0, -2.0, -2.0, 2.0, 2.0, 2.0]    # material 2
+
+    mmv = openmc.MeshMaterialVolumes(materials, volumes, bboxes)
+    with TemporaryDirectory() as tmpdir:
+        path = f'{tmpdir}/volumes_bboxes.npz'
+        mmv.save(path)
+        loaded = openmc.MeshMaterialVolumes.from_npz(path)
+
+    assert loaded.has_bounding_boxes
+    first = loaded.by_element(0, include_bboxes=True)[0][2]
+    assert isinstance(first, openmc.BoundingBox)
+    np.testing.assert_array_equal(first.lower_left, (-1.0, -2.0, -3.0))
+    np.testing.assert_array_equal(first.upper_right, (1.0, 2.0, 3.0))
+
+    second = loaded.by_element(0, include_bboxes=True)[1][2]
+    assert isinstance(second, openmc.BoundingBox)
+    np.testing.assert_array_equal(second.lower_left, (-5.0, -6.0, -7.0))
+    np.testing.assert_array_equal(second.upper_right, (5.0, 6.0, 7.0))
+
+
 def test_mesh_material_volumes_boundary_conditions(sphere_model):
     """Test the material volumes method using a regular mesh
     that overlaps with a vacuum boundary condition."""
@@ -718,6 +763,53 @@ def test_mesh_material_volumes_boundary_conditions(sphere_model):
         assert evaluated[1] == pytest.approx(expected[1], rel=1e-2)
 
 
+def test_mesh_material_volumes_bounding_boxes():
+    # Create a model with 8 spherical cells at known locations with random radii
+    box = openmc.model.RectangularParallelepiped(
+        -10, 10, -10, 10, -10, 10, boundary_type='vacuum')
+
+    mat = openmc.Material()
+    mat.add_nuclide('H1', 1.0)
+
+    sph_cells = []
+    for x, y, z in itertools.product((-5., 5.), repeat=3):
+        mat_i = mat.clone()
+        sph = openmc.Sphere(x, y, z, r=random.uniform(0.5, 1.5))
+        sph_cells.append(openmc.Cell(region=-sph, fill=mat_i))
+    background = openmc.Cell(region=-box & openmc.Intersection([~c.region for c in sph_cells]))
+
+    model = openmc.Model()
+    model.geometry = openmc.Geometry(sph_cells + [background])
+    model.settings.particles = 1000
+    model.settings.batches = 10
+
+    # Create a one-element mesh that encompasses the entire geometry
+    mesh = openmc.RegularMesh()
+    mesh.lower_left = (-10., -10., -10.)
+    mesh.upper_right = (10., 10., 10.)
+    mesh.dimension = (1, 1, 1)
+
+    # Run material volume calculation with bounding boxes
+    n_samples = (400, 400, 400)
+    mmv = mesh.material_volumes(model, n_samples, max_materials=10, bounding_boxes=True)
+    assert mmv.has_bounding_boxes
+
+    # Create a mapping of material ID to bounding box
+    bbox_by_mat = {
+        mat_id: bbox
+        for mat_id, vol, bbox in mmv.by_element(0, include_bboxes=True)
+        if mat_id is not None and vol > 0.0
+    }
+
+    # Match the mesh ray spacing used for the bounding box estimator.
+    tol = 0.5 * mesh.bounding_box.width[0] / n_samples[0]
+    for cell in sph_cells:
+        bbox = bbox_by_mat[cell.fill.id]
+        cell_bbox = cell.bounding_box
+        np.testing.assert_allclose(bbox.lower_left, cell_bbox.lower_left, atol=tol)
+        np.testing.assert_allclose(bbox.upper_right, cell_bbox.upper_right, atol=tol)
+
+
 def test_raytrace_mesh_infinite_loop(run_in_tmpdir):
     # Create a model with one large spherical cell
     sphere = openmc.Sphere(r=100, boundary_type='vacuum')

From 7b4617affb5d75974aef737b749b4ad046be026b Mon Sep 17 00:00:00 2001
From: GuySten <62616591+GuySten@users.noreply.github.com>
Date: Fri, 30 Jan 2026 08:10:16 +0200
Subject: [PATCH 2498/2654] Fix for plotting model with multi-group cross
 sections (#3748)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/model/model.py             | 10 ++++++++
 tests/unit_tests/test_universe.py | 39 +++++++++++++++++++++++++++++++
 2 files changed, 49 insertions(+)

diff --git a/openmc/model/model.py b/openmc/model/model.py
index 90b43f9f7..67da2f73a 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -1160,6 +1160,16 @@ class Model:
         y_min = (origin[y] - 0.5*width[1]) * axis_scaling_factor[axis_units]
         y_max = (origin[y] + 0.5*width[1]) * axis_scaling_factor[axis_units]
 
+        # Determine whether any materials contains macroscopic data and if so,
+        # set energy mode accordingly and check that mg cross sections path is accessible
+        for mat in self.geometry.get_all_materials().values():
+            if mat._macroscopic is not None:
+                self.settings.energy_mode = 'multi-group'
+                if 'mg_cross_sections' not in openmc.config:
+                    raise RuntimeError("'mg_cross_sections' path must be set in "
+                                       "openmc.config before plotting.")
+                break
+
         # Get ID map from the C API
         id_map = self.id_map(
             origin=origin,
diff --git a/tests/unit_tests/test_universe.py b/tests/unit_tests/test_universe.py
index efe8552a6..6fbf1cc38 100644
--- a/tests/unit_tests/test_universe.py
+++ b/tests/unit_tests/test_universe.py
@@ -1,3 +1,5 @@
+from pathlib import Path
+
 import lxml.etree as ET
 import numpy as np
 import openmc
@@ -104,6 +106,43 @@ def test_plot(run_in_tmpdir, sphere_model):
     plt.close('all')
 
 
+def test_mg_plot(run_in_tmpdir):
+    # Create a simple universe with macroscopic data
+    h2o_data = openmc.Macroscopic('LWTR')
+    water = openmc.Material(name='Water')
+    water.set_density('macro', 1.0)
+    water.add_macroscopic(h2o_data)
+    sph = openmc.Sphere(r=10, boundary_type="vacuum")
+    cell = openmc.Cell(region=-sph, fill=water)
+    univ = openmc.Universe(cells=[cell])
+
+    # Create MGXS library and export to HDF5
+    groups = openmc.mgxs.EnergyGroups([1e-5, 20.0e6])
+    h2o_xsdata = openmc.XSdata('LWTR', groups)
+    h2o_xsdata.order = 0
+    h2o_xsdata.set_total([1.0])
+    h2o_xsdata.set_absorption([0.5])
+    scatter_matrix = np.array([[[0.5]]])
+    scatter_matrix = np.rollaxis(scatter_matrix, 0, 3)
+    h2o_xsdata.set_scatter_matrix(scatter_matrix)
+    mg_library = openmc.MGXSLibrary(groups)
+    mg_library.add_xsdatas([h2o_xsdata])
+    mgxs_path = Path.cwd() / 'mgxs.h5'
+    mg_library.export_to_hdf5(mgxs_path)
+
+    # Set MG cross sections in config and plot
+    with openmc.config.patch('mg_cross_sections', mgxs_path):
+        univ.plot(width=(200, 200), basis='yz', color_by='cell')
+        univ.plot(width=(200, 200), basis='yz', color_by='material')
+
+    with pytest.raises(RuntimeError):
+        univ.plot(width=(200, 200), basis='yz', color_by='cell')
+
+    # Close plots to avoid warning
+    import matplotlib.pyplot as plt
+    plt.close('all')
+
+
 def test_get_nuclides(uo2):
     c = openmc.Cell(fill=uo2)
     univ = openmc.Universe(cells=[c])

From 6041ee6ae3a721a566382a5923d1576d5d8fdba9 Mon Sep 17 00:00:00 2001
From: David Andrs <andrsd@gmail.com>
Date: Sat, 31 Jan 2026 16:02:39 -0700
Subject: [PATCH 2499/2654] `SpatialBox` can be constructed via ctor with
 parameters (#3760)

---
 include/openmc/distribution_spatial.h      |  1 +
 src/distribution_spatial.cpp               |  5 +++++
 tests/cpp_unit_tests/test_distribution.cpp | 13 +++++++++++++
 3 files changed, 19 insertions(+)

diff --git a/include/openmc/distribution_spatial.h b/include/openmc/distribution_spatial.h
index 26f106fca..3e31b17a9 100644
--- a/include/openmc/distribution_spatial.h
+++ b/include/openmc/distribution_spatial.h
@@ -167,6 +167,7 @@ private:
 class SpatialBox : public SpatialDistribution {
 public:
   explicit SpatialBox(pugi::xml_node node, bool fission = false);
+  SpatialBox(Position lower_left, Position upper_right, bool fission = false);
 
   //! Sample a position from the distribution
   //! \param seed Pseudorandom number seed pointer
diff --git a/src/distribution_spatial.cpp b/src/distribution_spatial.cpp
index 80f8f7de1..e25e08d74 100644
--- a/src/distribution_spatial.cpp
+++ b/src/distribution_spatial.cpp
@@ -426,6 +426,11 @@ SpatialBox::SpatialBox(pugi::xml_node node, bool fission)
   upper_right_ = Position {params[3], params[4], params[5]};
 }
 
+SpatialBox::SpatialBox(Position lower_left, Position upper_right, bool fission)
+  : lower_left_(lower_left), upper_right_(upper_right),
+    only_fissionable_(fission)
+{}
+
 std::pair<Position, double> SpatialBox::sample(uint64_t* seed) const
 {
   Position xi {prn(seed), prn(seed), prn(seed)};
diff --git a/tests/cpp_unit_tests/test_distribution.cpp b/tests/cpp_unit_tests/test_distribution.cpp
index 2024b812e..f7c480c8d 100644
--- a/tests/cpp_unit_tests/test_distribution.cpp
+++ b/tests/cpp_unit_tests/test_distribution.cpp
@@ -1,4 +1,6 @@
 #include "openmc/distribution.h"
+#include "openmc/distribution_spatial.h"
+#include "openmc/position.h"
 #include "openmc/random_lcg.h"
 #include <catch2/catch_test_macros.hpp>
 #include <catch2/matchers/catch_matchers_floating_point.hpp>
@@ -79,3 +81,14 @@ TEST_CASE("Test alias sampling method for pugixml constructor")
     REQUIRE(dist.alias()[i] == correct_alias[i]);
   }
 }
+
+TEST_CASE("Test construction of SpatialBox with parameters")
+{
+  openmc::Position ll {-1, -2, -3};
+  openmc::Position ur {30, 15, 5};
+  openmc::SpatialBox box(ll, ur);
+
+  REQUIRE(box.lower_left() == openmc::Position {-1, -2, -3});
+  REQUIRE(box.upper_right() == openmc::Position {30, 15, 5});
+  REQUIRE_FALSE(box.only_fissionable());
+}

From fc0d9eec651dcbce5a1c6f094f859d872086ac31 Mon Sep 17 00:00:00 2001
From: Ethan Peterson <ethan.peterson@mit.edu>
Date: Mon, 2 Feb 2026 10:55:45 -0500
Subject: [PATCH 2500/2654] Ignore all source build directories that match
 build* pattern (#3762)

---
 .gitignore | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/.gitignore b/.gitignore
index 3b2a24a4d..780059f30 100644
--- a/.gitignore
+++ b/.gitignore
@@ -30,7 +30,7 @@ docs/source/_images/*.aux
 docs/source/pythonapi/generated/
 
 # Source build
-build
+build*/
 
 # build from src/utils/setup.py
 src/utils/build

From b41e22f68b86bb869d66f3e7340e52834ecfa0e8 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 3 Feb 2026 01:23:24 -0600
Subject: [PATCH 2501/2654] Refactor ParticleType to use PDG Monte Carlo
 numbering scheme (#3756)

Co-authored-by: GuySten <62616591+GuySten@users.noreply.github.com>
Co-authored-by: Amanda Lund <alund1187@gmail.com>
---
 CMakeLists.txt                                |   1 +
 docs/source/io_formats/collision_track.rst    |   8 +-
 docs/source/io_formats/particle_restart.rst   |   5 +-
 docs/source/io_formats/settings.rst           |  11 +-
 docs/source/io_formats/source.rst             |   6 +-
 docs/source/io_formats/statepoint.rst         |   6 +-
 docs/source/io_formats/tallies.rst            |   4 +-
 docs/source/io_formats/track.rst              |   7 +-
 docs/source/usersguide/settings.rst           |   4 +-
 examples/custom_source/source_ring.cpp        |  18 +-
 .../parameterized_source_ring.cpp             |  92 +++---
 include/openmc/capi.h                         |   6 +-
 include/openmc/constants.h                    |   8 +-
 include/openmc/nuclide.h                      |   2 +-
 include/openmc/particle.h                     |   4 -
 include/openmc/particle_data.h                |   6 +-
 include/openmc/particle_type.h                | 172 ++++++++++
 include/openmc/reaction_product.h             |   2 +-
 include/openmc/source.h                       |  12 +-
 include/openmc/tallies/filter_particle.h      |   2 +-
 include/openmc/weight_windows.h               |   9 +-
 openmc/filter.py                              |  19 +-
 openmc/lib/core.py                            |   2 +-
 openmc/lib/filter.py                          |  13 +-
 openmc/lib/weight_windows.py                  |  29 +-
 openmc/particle_restart.py                    |   7 +-
 openmc/particle_type.py                       | 228 ++++++++++++++
 openmc/source.py                              | 125 ++------
 openmc/tracks.py                              |  13 +-
 openmc/weight_windows.py                      |  41 +--
 src/bremsstrahlung.cpp                        |   6 +-
 src/material.cpp                              |   6 +-
 src/mcpl_interface.cpp                        |  76 +----
 src/mesh.cpp                                  |   2 +-
 src/mgxs_interface.cpp                        |   2 +-
 src/nuclide.cpp                               |   6 +-
 src/output.cpp                                |  12 +-
 src/particle.cpp                              |  69 ++--
 src/particle_restart.cpp                      |  13 +-
 src/particle_type.cpp                         | 246 +++++++++++++++
 src/photon.cpp                                |   9 +-
 src/physics.cpp                               |  49 +--
 src/physics_mg.cpp                            |   4 +-
 src/reaction.cpp                              |   5 +-
 src/reaction_product.cpp                      |   6 +-
 src/simulation.cpp                            |  14 +-
 src/source.cpp                                |  45 ++-
 src/state_point.cpp                           |  18 ++
 src/tallies/filter_particle.cpp               |  10 +-
 src/tallies/tally.cpp                         |   4 +-
 src/tallies/tally_scoring.cpp                 |  77 ++---
 src/track_output.cpp                          |   2 +-
 src/weight_windows.cpp                        |  43 +--
 tests/cpp_unit_tests/test_mcpl_stat_sum.cpp   |   4 +-
 .../source_dlopen/source_sampling.cpp         |   2 +-
 .../parameterized_source_sampling.cpp         |  51 +--
 .../surface_source/surface_source_true.h5     | Bin 88096 -> 86216 bytes
 .../surface_source_write/test.py              |   2 +-
 tests/unit_tests/test_particle_type.py        | 298 ++++++++++++++++++
 tests/unit_tests/test_source_file.py          |   4 +-
 tests/unit_tests/test_tracks.py               |   6 +-
 .../weightwindows/test_wwinp_reader.py        |   6 +-
 62 files changed, 1401 insertions(+), 558 deletions(-)
 create mode 100644 include/openmc/particle_type.h
 create mode 100644 openmc/particle_type.py
 create mode 100644 src/particle_type.cpp
 create mode 100644 tests/unit_tests/test_particle_type.py

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 87b8789d1..d3119fb87 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -372,6 +372,7 @@ list(APPEND libopenmc_SOURCES
   src/particle.cpp
   src/particle_data.cpp
   src/particle_restart.cpp
+  src/particle_type.cpp
   src/photon.cpp
   src/physics.cpp
   src/physics_common.cpp
diff --git a/docs/source/io_formats/collision_track.rst b/docs/source/io_formats/collision_track.rst
index a36459754..8e1e00ffb 100644
--- a/docs/source/io_formats/collision_track.rst
+++ b/docs/source/io_formats/collision_track.rst
@@ -10,7 +10,7 @@ may also be written after each batch when multiple files are requested
 (``collision_track.N.h5``) or when the run is performed in parallel. The file
 contains the information needed to reconstruct each recorded collision.
 
-The current revision of the collision track file format is 1.0.
+The current revision of the collision track file format is 1.1.
 
 **/**
 
@@ -37,9 +37,9 @@ The current revision of the collision track file format is 1.0.
               - ``material_id`` (*int*) -- ID of the material containing the collision site.
               - ``universe_id`` (*int*) -- ID of the universe containing the collision site.
               - ``n_collision`` (*int*) -- Collision counter for the particle history.
-              - ``particle`` (*int*) -- Particle type (0=neutron, 1=photon, 2=electron, 3=positron).
-              - ``parent_id`` (*int64*) -- Unique ID of the parent particle.
-              - ``progeny_id`` (*int64*) -- Progeny ID of the particle.
+              - ``particle`` (*int32_t*) -- Particle type (PDG number).
+              - ``parent_id`` (*int64_t*) -- Unique ID of the parent particle.
+              - ``progeny_id`` (*int64_t*) -- Progeny ID of the particle.
 
 In an MPI run, OpenMC writes the combined dataset by gathering collision-track
 entries from all ranks before flushing them to disk, so the final file appears
diff --git a/docs/source/io_formats/particle_restart.rst b/docs/source/io_formats/particle_restart.rst
index 2734f0470..e0fe76b9d 100644
--- a/docs/source/io_formats/particle_restart.rst
+++ b/docs/source/io_formats/particle_restart.rst
@@ -4,7 +4,7 @@
 Particle Restart File Format
 ============================
 
-The current version of the particle restart file format is 2.0.
+The current version of the particle restart file format is 2.1.
 
 **/**
 
@@ -26,8 +26,7 @@ The current version of the particle restart file format is 2.0.
            - **run_mode** (*char[]*) -- Run mode used, either 'fixed source',
              'eigenvalue', or 'particle restart'.
            - **id** (*int8_t*) -- Unique identifier of the particle.
-           - **type** (*int*) -- Particle type (0=neutron, 1=photon, 2=electron,
-             3=positron)
+           - **type** (*int32_t*) -- Particle type (PDG number)
            - **weight** (*double*) -- Weight of the particle.
            - **energy** (*double*) -- Energy of the particle in eV for
              continuous-energy mode, or the energy group of the particle for
diff --git a/docs/source/io_formats/settings.rst b/docs/source/io_formats/settings.rst
index 8fc26ae07..ed7c6273a 100644
--- a/docs/source/io_formats/settings.rst
+++ b/docs/source/io_formats/settings.rst
@@ -721,7 +721,10 @@ attributes/sub-elements:
     is present.
 
   :particle:
-    The source particle type, either ``neutron`` or ``photon``.
+    The source particle type, specified as a PDG number or a string alias (e.g.,
+    ``neutron``/``n``, ``photon``/``gamma``, ``electron``, ``positron``,
+    ``proton``/``p``, ``deuteron``/``d``, ``triton``/``t``, ``alpha``, or GNDS
+    nuclide names like ``Fe57``).
 
     *Default*: neutron
 
@@ -1537,7 +1540,8 @@ sub-elements/attributes:
     *Default*: None
 
   :particle_type:
-    The particle that the weight windows will apply to (e.g., 'neutron')
+    The particle that the weight windows will apply to, specified as a PDG
+    code or string (e.g., ``neutron``).
 
     *Default*: 'neutron'
 
@@ -1597,7 +1601,8 @@ mesh-based weight windows.
     *Default*: None
 
   :particle_type:
-    The particle that the weight windows will apply to (e.g., 'neutron')
+    The particle that the weight windows will apply to, specified as a PDG
+    code or string (e.g., ``neutron``).
 
     *Default*: neutron
 
diff --git a/docs/source/io_formats/source.rst b/docs/source/io_formats/source.rst
index 4ce2229ed..2e81e0a3f 100644
--- a/docs/source/io_formats/source.rst
+++ b/docs/source/io_formats/source.rst
@@ -15,6 +15,8 @@ following the same format.
 **/**
 
 :Attributes: - **filetype** (*char[]*) -- String indicating the type of file.
+             - **version** (*int[2]*) -- Major and minor version of the source
+               file format.
 
 :Datasets:
 
@@ -22,5 +24,5 @@ following the same format.
              particle. The compound type has fields ``r``, ``u``, ``E``,
              ``time``, ``wgt``, ``delayed_group``, ``surf_id`` and ``particle``,
              which represent the position, direction, energy, time, weight,
-             delayed group, surface ID, and particle type (0=neutron, 1=photon,
-             2=electron, 3=positron), respectively.
+             delayed group, surface ID, and particle type (PDG number),
+             respectively.
diff --git a/docs/source/io_formats/statepoint.rst b/docs/source/io_formats/statepoint.rst
index 2309643dc..7d7765b84 100644
--- a/docs/source/io_formats/statepoint.rst
+++ b/docs/source/io_formats/statepoint.rst
@@ -4,7 +4,7 @@
 State Point File Format
 =======================
 
-The current version of the statepoint file format is 18.1.
+The current version of the statepoint file format is 18.2.
 
 **/**
 
@@ -56,8 +56,8 @@ The current version of the statepoint file format is 18.1.
              ``time``, ``wgt``, ``delayed_group``, ``surf_id``, and
              ``particle``, which represent the position, direction, energy,
              time, weight, delayed group, surface ID, and particle type
-             (0=neutron, 1=photon, 2=electron, 3=positron), respectively. Only
-             present when `run_mode` is 'eigenvalue'.
+             (PDG number), respectively. Only present when `run_mode` is
+             'eigenvalue'.
 
 **/tallies/**
 
diff --git a/docs/source/io_formats/tallies.rst b/docs/source/io_formats/tallies.rst
index 9f29a949a..0ba0e061f 100644
--- a/docs/source/io_formats/tallies.rst
+++ b/docs/source/io_formats/tallies.rst
@@ -318,8 +318,8 @@ should be set to:
   they use ``energy`` and ``y``.
 
 :particle:
-  A list of integers indicating the type of particles to tally ('neutron' = 1,
-  'photon' = 2, 'electron' = 3, 'positron' = 4).
+  A list of particle identifiers to tally, specified as strings (e.g.,
+  ``neutron``, ``photon``, ``He4``) or as integer PDG numbers.
 
 ------------------
 ``<mesh>`` Element
diff --git a/docs/source/io_formats/track.rst b/docs/source/io_formats/track.rst
index a97d75e58..9c05ac4c3 100644
--- a/docs/source/io_formats/track.rst
+++ b/docs/source/io_formats/track.rst
@@ -4,7 +4,7 @@
 Track File Format
 =================
 
-The current revision of the particle track file format is 3.0.
+The current revision of the particle track file format is 3.1.
 
 **/**
 
@@ -32,6 +32,5 @@ The current revision of the particle track file format is 3.0.
                             the array for each primary/secondary particle. The
                             last offset should match the total size of the
                             array.
-                          - **particles** (*int[]*) -- Particle type for each
-                            primary/secondary particle (0=neutron, 1=photon,
-                            2=electron, 3=positron).
+                          - **particles** (*int32_t[]*) -- Particle type for
+                            each primary/secondary particle (PDG number).
diff --git a/docs/source/usersguide/settings.rst b/docs/source/usersguide/settings.rst
index b9c693ba1..5a04fedd7 100644
--- a/docs/source/usersguide/settings.rst
+++ b/docs/source/usersguide/settings.rst
@@ -400,7 +400,7 @@ below.
     {
       openmc::SourceSite particle;
       // weight
-      particle.particle = openmc::ParticleType::neutron;
+      particle.particle = openmc::ParticleType::neutron();
       particle.wgt = 1.0;
       // position
       double angle = 2.0 * M_PI * openmc::prn(seed);
@@ -477,7 +477,7 @@ parameters to the source class when it is created:
     {
       openmc::SourceSite particle;
       // weight
-      particle.particle = openmc::ParticleType::neutron;
+      particle.particle = openmc::ParticleType::neutron();
       particle.wgt = 1.0;
       // position
       particle.r.x = 0.0;
diff --git a/examples/custom_source/source_ring.cpp b/examples/custom_source/source_ring.cpp
index b87afbd17..5ab531a4a 100644
--- a/examples/custom_source/source_ring.cpp
+++ b/examples/custom_source/source_ring.cpp
@@ -1,17 +1,16 @@
-#include <cmath> // for M_PI
+#include <cmath>  // for M_PI
 #include <memory> // for unique_ptr
 
+#include "openmc/particle.h"
 #include "openmc/random_lcg.h"
 #include "openmc/source.h"
-#include "openmc/particle.h"
 
-class RingSource : public openmc::Source
-{
+class RingSource : public openmc::Source {
   openmc::SourceSite sample(uint64_t* seed) const
   {
     openmc::SourceSite particle;
     // particle type
-    particle.particle = openmc::ParticleType::neutron;
+    particle.particle = openmc::ParticleType::neutron();
     // position
     double angle = 2.0 * M_PI * openmc::prn(seed);
     double radius = 3.0;
@@ -25,10 +24,11 @@ class RingSource : public openmc::Source
   }
 };
 
-// A function to create a unique pointer to an instance of this class when generated
-// via a plugin call using dlopen/dlsym.
-// You must have external C linkage here otherwise dlopen will not find the file
-extern "C" std::unique_ptr<RingSource> openmc_create_source(std::string parameters)
+// A function to create a unique pointer to an instance of this class when
+// generated via a plugin call using dlopen/dlsym. You must have external C
+// linkage here otherwise dlopen will not find the file
+extern "C" std::unique_ptr<RingSource> openmc_create_source(
+  std::string parameters)
 {
   return std::make_unique<RingSource>();
 }
diff --git a/examples/parameterized_custom_source/parameterized_source_ring.cpp b/examples/parameterized_custom_source/parameterized_source_ring.cpp
index e70dc8bb1..a983414f1 100644
--- a/examples/parameterized_custom_source/parameterized_source_ring.cpp
+++ b/examples/parameterized_custom_source/parameterized_source_ring.cpp
@@ -1,63 +1,65 @@
-#include <cmath> // for M_PI
+#include <cmath>  // for M_PI
 #include <memory> // for unique_ptr
 #include <unordered_map>
 
+#include "openmc/particle.h"
 #include "openmc/random_lcg.h"
 #include "openmc/source.h"
-#include "openmc/particle.h"
 
 class RingSource : public openmc::Source {
-  public:
-    RingSource(double radius, double energy) : radius_(radius), energy_(energy) { }
+public:
+  RingSource(double radius, double energy) : radius_(radius), energy_(energy) {}
 
-    // Defines a function that can create a unique pointer to a new instance of this class
-    // by extracting the parameters from the provided string.
-    static std::unique_ptr<RingSource> from_string(std::string parameters)
-    {
-      std::unordered_map<std::string, std::string> parameter_mapping;
+  // Defines a function that can create a unique pointer to a new instance of
+  // this class by extracting the parameters from the provided string.
+  static std::unique_ptr<RingSource> from_string(std::string parameters)
+  {
+    std::unordered_map<std::string, std::string> parameter_mapping;
 
-      std::stringstream ss(parameters);
-      std::string parameter;
-      while (std::getline(ss, parameter, ',')) {
-        parameter.erase(0, parameter.find_first_not_of(' '));
-        std::string key = parameter.substr(0, parameter.find_first_of('='));
-        std::string value = parameter.substr(parameter.find_first_of('=') + 1, parameter.length());
-        parameter_mapping[key] = value;
-      }
-
-      double radius = std::stod(parameter_mapping["radius"]);
-      double energy = std::stod(parameter_mapping["energy"]);
-      return std::make_unique<RingSource>(radius, energy);
+    std::stringstream ss(parameters);
+    std::string parameter;
+    while (std::getline(ss, parameter, ',')) {
+      parameter.erase(0, parameter.find_first_not_of(' '));
+      std::string key = parameter.substr(0, parameter.find_first_of('='));
+      std::string value =
+        parameter.substr(parameter.find_first_of('=') + 1, parameter.length());
+      parameter_mapping[key] = value;
     }
 
-    // Samples from an instance of this class.
-    openmc::SourceSite sample(uint64_t* seed) const
-    {
-      openmc::SourceSite particle;
-      // particle type
-      particle.particle = openmc::ParticleType::neutron;
-      // position
-      double angle = 2.0 * M_PI * openmc::prn(seed);
-      double radius = this->radius_;
-      particle.r.x = radius * std::cos(angle);
-      particle.r.y = radius * std::sin(angle);
-      particle.r.z = 0.0;
-      // angle
-      particle.u = {1.0, 0.0, 0.0};
-      particle.E = this->energy_;
+    double radius = std::stod(parameter_mapping["radius"]);
+    double energy = std::stod(parameter_mapping["energy"]);
+    return std::make_unique<RingSource>(radius, energy);
+  }
 
-      return particle;
-    }
+  // Samples from an instance of this class.
+  openmc::SourceSite sample(uint64_t* seed) const
+  {
+    openmc::SourceSite particle;
+    // particle type
+    particle.particle = openmc::ParticleType::neutron();
+    // position
+    double angle = 2.0 * M_PI * openmc::prn(seed);
+    double radius = this->radius_;
+    particle.r.x = radius * std::cos(angle);
+    particle.r.y = radius * std::sin(angle);
+    particle.r.z = 0.0;
+    // angle
+    particle.u = {1.0, 0.0, 0.0};
+    particle.E = this->energy_;
 
-  private:
-    double radius_;
-    double energy_;
+    return particle;
+  }
+
+private:
+  double radius_;
+  double energy_;
 };
 
-// A function to create a unique pointer to an instance of this class when generated
-// via a plugin call using dlopen/dlsym.
-// You must have external C linkage here otherwise dlopen will not find the file
-extern "C" std::unique_ptr<RingSource> openmc_create_source(std::string parameters)
+// A function to create a unique pointer to an instance of this class when
+// generated via a plugin call using dlopen/dlsym. You must have external C
+// linkage here otherwise dlopen will not find the file
+extern "C" std::unique_ptr<RingSource> openmc_create_source(
+  std::string parameters)
 {
   return RingSource::from_string(parameters);
 }
diff --git a/include/openmc/capi.h b/include/openmc/capi.h
index 749dc98a0..019a418a1 100644
--- a/include/openmc/capi.h
+++ b/include/openmc/capi.h
@@ -201,8 +201,8 @@ int openmc_weight_windows_set_energy_bounds(
   int32_t index, double* e_bounds, size_t e_bounds_size);
 int openmc_weight_windows_get_energy_bounds(
   int32_t index, const double** e_bounds, size_t* e_bounds_size);
-int openmc_weight_windows_set_particle(int32_t index, int particle);
-int openmc_weight_windows_get_particle(int32_t index, int* particle);
+int openmc_weight_windows_set_particle(int32_t index, int32_t particle);
+int openmc_weight_windows_get_particle(int32_t index, int32_t* particle);
 int openmc_weight_windows_get_bounds(int32_t index, const double** lower_bounds,
   const double** upper_bounds, size_t* size);
 int openmc_weight_windows_set_bounds(int32_t index, const double* lower_bounds,
@@ -227,7 +227,7 @@ int openmc_zernike_filter_set_order(int32_t index, int order);
 int openmc_zernike_filter_set_params(
   int32_t index, const double* x, const double* y, const double* r);
 
-int openmc_particle_filter_get_bins(int32_t idx, int bins[]);
+int openmc_particle_filter_get_bins(int32_t idx, int32_t bins[]);
 
 //! Sets the mesh and energy grid for CMFD reweight
 //! \param[in] meshtyally_id id of CMFD Mesh Tally
diff --git a/include/openmc/constants.h b/include/openmc/constants.h
index bba260c3a..980cff447 100644
--- a/include/openmc/constants.h
+++ b/include/openmc/constants.h
@@ -25,16 +25,16 @@ using double_4dvec = vector<vector<vector<vector<double>>>>;
 constexpr int HDF5_VERSION[] {3, 0};
 
 // Version numbers for binary files
-constexpr array<int, 2> VERSION_STATEPOINT {18, 1};
-constexpr array<int, 2> VERSION_PARTICLE_RESTART {2, 0};
-constexpr array<int, 2> VERSION_TRACK {3, 0};
+constexpr array<int, 2> VERSION_STATEPOINT {18, 2};
+constexpr array<int, 2> VERSION_PARTICLE_RESTART {2, 1};
+constexpr array<int, 2> VERSION_TRACK {3, 1};
 constexpr array<int, 2> VERSION_SUMMARY {6, 1};
 constexpr array<int, 2> VERSION_VOLUME {1, 0};
 constexpr array<int, 2> VERSION_VOXEL {2, 0};
 constexpr array<int, 2> VERSION_MGXS_LIBRARY {1, 0};
 constexpr array<int, 2> VERSION_PROPERTIES {1, 1};
 constexpr array<int, 2> VERSION_WEIGHT_WINDOWS {1, 0};
-constexpr array<int, 2> VERSION_COLLISION_TRACK {1, 0};
+constexpr array<int, 2> VERSION_COLLISION_TRACK {1, 1};
 
 // ============================================================================
 // ADJUSTABLE PARAMETERS
diff --git a/include/openmc/nuclide.h b/include/openmc/nuclide.h
index 60b88a153..58d833939 100644
--- a/include/openmc/nuclide.h
+++ b/include/openmc/nuclide.h
@@ -163,7 +163,7 @@ bool multipole_in_range(const Nuclide& nuc, double E);
 namespace data {
 
 // Minimum/maximum transport energy for each particle type. Order corresponds to
-// that of the ParticleType enum
+// transport_index() for supported transport particles.
 extern array<double, 4> energy_min;
 extern array<double, 4> energy_max;
 
diff --git a/include/openmc/particle.h b/include/openmc/particle.h
index 0f37719b9..2f6e6196b 100644
--- a/include/openmc/particle.h
+++ b/include/openmc/particle.h
@@ -126,10 +126,6 @@ public:
 //! Functions
 //============================================================================
 
-std::string particle_type_to_str(ParticleType type);
-
-ParticleType str_to_particle_type(std::string str);
-
 void add_surf_source_to_bank(Particle& p, const Surface& surf);
 
 } // namespace openmc
diff --git a/include/openmc/particle_data.h b/include/openmc/particle_data.h
index fdacfa765..75166b36a 100644
--- a/include/openmc/particle_data.h
+++ b/include/openmc/particle_data.h
@@ -3,6 +3,7 @@
 
 #include "openmc/array.h"
 #include "openmc/constants.h"
+#include "openmc/particle_type.h"
 #include "openmc/position.h"
 #include "openmc/random_lcg.h"
 #include "openmc/tallies/filter_match.h"
@@ -30,9 +31,6 @@ constexpr double CACHE_INVALID {-1.0};
 //==========================================================================
 // Aliases and type definitions
 
-//! Particle types
-enum class ParticleType { neutron, photon, electron, positron };
-
 //! Saved ("banked") state of a particle
 //! NOTE: This structure's MPI type is built in initialize_mpi() of
 //! initialize.cpp. Any changes made to the struct here must also be
@@ -496,7 +494,7 @@ private:
   MacroXS macro_xs_;
   CacheDataMG mg_xs_cache_;
 
-  ParticleType type_ {ParticleType::neutron};
+  ParticleType type_;
 
   double E_;
   double E_last_;
diff --git a/include/openmc/particle_type.h b/include/openmc/particle_type.h
new file mode 100644
index 000000000..fed3c9284
--- /dev/null
+++ b/include/openmc/particle_type.h
@@ -0,0 +1,172 @@
+//==============================================================================
+// ParticleType class definition
+//==============================================================================
+
+#ifndef OPENMC_PARTICLE_TYPE_H
+#define OPENMC_PARTICLE_TYPE_H
+
+#include <cstddef>
+#include <cstdint>
+#include <string>
+#include <string_view>
+#include <type_traits>
+
+#include "openmc/constants.h"
+
+namespace openmc {
+
+//------------------------------------------------------------------------------
+// PDG constants (canonical particle identity as simple integers)
+//------------------------------------------------------------------------------
+
+inline constexpr int32_t PDG_NEUTRON = 2112;
+inline constexpr int32_t PDG_PHOTON = 22;
+inline constexpr int32_t PDG_ELECTRON = 11;
+inline constexpr int32_t PDG_POSITRON = -11;
+inline constexpr int32_t PDG_PROTON = 2212;
+inline constexpr int32_t PDG_DEUTERON = 1000010020;
+inline constexpr int32_t PDG_TRITON = 1000010030;
+inline constexpr int32_t PDG_ALPHA = 1000020040;
+
+//------------------------------------------------------------------------------
+// ParticleType class (standard-layout, trivially copyable)
+//------------------------------------------------------------------------------
+
+class ParticleType {
+public:
+  //----------------------------------------------------------------------------
+  // Constructors
+
+  // Default constructor: defaults to neutron
+  constexpr ParticleType() : pdg_number_(PDG_NEUTRON) {}
+
+  // Constructor from PDG number
+  constexpr explicit ParticleType(int32_t pdg_number) : pdg_number_(pdg_number)
+  {}
+
+  // Constructor from particle name string (e.g., "neutron", "photon", "Fe56")
+  explicit ParticleType(std::string_view str);
+
+  // Constructor from Z, A, and metastable state for nuclear particles
+  constexpr ParticleType(int Z, int A, int m = 0)
+    : pdg_number_(1000000000 + Z * 10000 + A * 10 + m)
+  {}
+
+  //----------------------------------------------------------------------------
+  // Accessors
+
+  // Accessor for the underlying PDG number
+  constexpr int32_t pdg_number() const { return pdg_number_; }
+
+  //----------------------------------------------------------------------------
+  // Methods
+
+  // Convert to string representation
+  std::string str() const;
+
+  // Check if this represents a nucleus (vs elementary particle)
+  constexpr bool is_nucleus() const
+  {
+    // PDG nuclear codes are >= 1000000000 (100ZZZAAAI format)
+    return pdg_number_ >= 1000000000;
+  }
+
+  // Get transport index (0-3 for transportable particles, C_NONE otherwise)
+  constexpr int transport_index() const;
+
+  // Check if this is a neutron
+  constexpr bool is_neutron() const { return pdg_number_ == PDG_NEUTRON; }
+
+  // Check if this is a photon
+  constexpr bool is_photon() const { return pdg_number_ == PDG_PHOTON; }
+
+  constexpr bool is_transportable() const
+  {
+    return this->transport_index() != C_NONE;
+  }
+
+  //----------------------------------------------------------------------------
+  // Static factory methods
+
+  static constexpr ParticleType neutron() { return ParticleType {PDG_NEUTRON}; }
+  static constexpr ParticleType photon() { return ParticleType {PDG_PHOTON}; }
+  static constexpr ParticleType electron()
+  {
+    return ParticleType {PDG_ELECTRON};
+  }
+  static constexpr ParticleType positron()
+  {
+    return ParticleType {PDG_POSITRON};
+  }
+  static constexpr ParticleType proton() { return ParticleType {PDG_PROTON}; }
+  static constexpr ParticleType deuteron()
+  {
+    return ParticleType {PDG_DEUTERON};
+  }
+  static constexpr ParticleType triton() { return ParticleType {PDG_TRITON}; }
+  static constexpr ParticleType alpha() { return ParticleType {PDG_ALPHA}; }
+
+private:
+  int32_t pdg_number_;
+};
+
+//------------------------------------------------------------------------------
+// Static assertions to ensure standard-layout and trivially copyable
+//------------------------------------------------------------------------------
+
+static_assert(std::is_standard_layout_v<ParticleType>,
+  "ParticleType must be standard-layout");
+static_assert(std::is_trivially_copyable_v<ParticleType>,
+  "ParticleType must be trivially copyable");
+static_assert(sizeof(ParticleType) == sizeof(int32_t),
+  "ParticleType must be same size as int32_t");
+
+//------------------------------------------------------------------------------
+// Comparison operators (free functions for symmetry)
+//------------------------------------------------------------------------------
+
+constexpr bool operator==(ParticleType lhs, ParticleType rhs)
+{
+  return lhs.pdg_number() == rhs.pdg_number();
+}
+
+constexpr bool operator!=(ParticleType lhs, ParticleType rhs)
+{
+  return lhs.pdg_number() != rhs.pdg_number();
+}
+
+constexpr bool operator<(ParticleType lhs, ParticleType rhs)
+{
+  return lhs.pdg_number() < rhs.pdg_number();
+}
+
+//------------------------------------------------------------------------------
+// ParticleType member function implementations (inline)
+//------------------------------------------------------------------------------
+
+constexpr int ParticleType::transport_index() const
+{
+  switch (pdg_number_) {
+  case PDG_NEUTRON:
+    return 0;
+  case PDG_PHOTON:
+    return 1;
+  case PDG_ELECTRON:
+    return 2;
+  case PDG_POSITRON:
+    return 3;
+  default:
+    return C_NONE;
+  }
+}
+
+//------------------------------------------------------------------------------
+// Legacy conversion helpers
+//------------------------------------------------------------------------------
+
+// Legacy enum code (0..3) to ParticleType conversion
+ParticleType legacy_particle_index_to_type(int code);
+
+} // namespace openmc
+
+#endif // OPENMC_PARTICLE_TYPE_H
diff --git a/include/openmc/reaction_product.h b/include/openmc/reaction_product.h
index 4fbbc1b62..9a8eab7d9 100644
--- a/include/openmc/reaction_product.h
+++ b/include/openmc/reaction_product.h
@@ -10,7 +10,7 @@
 #include "openmc/chain.h"
 #include "openmc/endf.h"
 #include "openmc/memory.h" // for unique_ptr
-#include "openmc/particle.h"
+#include "openmc/particle_type.h"
 #include "openmc/vector.h" // for vector
 
 namespace openmc {
diff --git a/include/openmc/source.h b/include/openmc/source.h
index 36c821fc0..2f32aa2a0 100644
--- a/include/openmc/source.h
+++ b/include/openmc/source.h
@@ -12,7 +12,7 @@
 #include "openmc/distribution_multi.h"
 #include "openmc/distribution_spatial.h"
 #include "openmc/memory.h"
-#include "openmc/particle.h"
+#include "openmc/particle_type.h"
 #include "openmc/vector.h"
 
 namespace openmc {
@@ -148,11 +148,11 @@ protected:
 
 private:
   // Data members
-  ParticleType particle_ {ParticleType::neutron}; //!< Type of particle emitted
-  UPtrSpace space_;                               //!< Spatial distribution
-  UPtrAngle angle_;                               //!< Angular distribution
-  UPtrDist energy_;                               //!< Energy distribution
-  UPtrDist time_;                                 //!< Time distribution
+  ParticleType particle_; //!< Type of particle emitted
+  UPtrSpace space_;       //!< Spatial distribution
+  UPtrAngle angle_;       //!< Angular distribution
+  UPtrDist energy_;       //!< Energy distribution
+  UPtrDist time_;         //!< Time distribution
 };
 
 //==============================================================================
diff --git a/include/openmc/tallies/filter_particle.h b/include/openmc/tallies/filter_particle.h
index 863a6d282..9932a6037 100644
--- a/include/openmc/tallies/filter_particle.h
+++ b/include/openmc/tallies/filter_particle.h
@@ -1,7 +1,7 @@
 #ifndef OPENMC_TALLIES_FILTER_PARTICLE_H
 #define OPENMC_TALLIES_FILTER_PARTICLE_H
 
-#include "openmc/particle.h"
+#include "openmc/particle_type.h"
 #include "openmc/span.h"
 #include "openmc/tallies/filter.h"
 #include "openmc/vector.h"
diff --git a/include/openmc/weight_windows.h b/include/openmc/weight_windows.h
index 763815522..0d7435ca2 100644
--- a/include/openmc/weight_windows.h
+++ b/include/openmc/weight_windows.h
@@ -10,7 +10,7 @@
 #include "openmc/constants.h"
 #include "openmc/memory.h"
 #include "openmc/mesh.h"
-#include "openmc/particle.h"
+#include "openmc/particle_type.h"
 #include "openmc/span.h"
 #include "openmc/tallies/tally.h"
 #include "openmc/vector.h"
@@ -193,10 +193,9 @@ public:
 private:
   //----------------------------------------------------------------------------
   // Data members
-  int32_t id_;    //!< Unique ID
-  int64_t index_; //!< Index into weight windows vector
-  ParticleType particle_type_ {
-    ParticleType::neutron};      //!< Particle type to apply weight windows to
+  int32_t id_;                   //!< Unique ID
+  int64_t index_;                //!< Index into weight windows vector
+  ParticleType particle_type_;   //!< Particle type to apply weight windows to
   vector<double> energy_bounds_; //!< Energy boundaries [eV]
   xt::xtensor<double, 2> lower_ww_; //!< Lower weight window bounds (shape:
                                     //!< energy_bins, mesh_bins (k, j, i))
diff --git a/openmc/filter.py b/openmc/filter.py
index e7c54f2f0..53ec93e21 100644
--- a/openmc/filter.py
+++ b/openmc/filter.py
@@ -35,7 +35,6 @@ _CURRENT_NAMES = (
     'z-min out', 'z-min in', 'z-max out', 'z-max in'
 )
 
-_PARTICLES = {'neutron', 'photon', 'electron', 'positron'}
 
 
 class FilterMeta(ABCMeta):
@@ -735,9 +734,8 @@ class ParticleFilter(Filter):
 
     Parameters
     ----------
-    bins : str, or sequence of str
-        The particles to tally represented as strings ('neutron', 'photon',
-        'electron', 'positron').
+    bins : str, int, openmc.ParticleType, or sequence
+        The particle types to tally represented as names, PDG numbers, or types.
     filter_id : int
         Unique identifier for the filter
 
@@ -763,11 +761,16 @@ class ParticleFilter(Filter):
 
     @Filter.bins.setter
     def bins(self, bins):
-        cv.check_type('bins', bins, Sequence, str)
+        if isinstance(bins, (str, Integral, openmc.ParticleType)):
+            bins = [bins]
+        else:
+            cv.check_type('bins', bins, Sequence,
+                          (str, Integral, openmc.ParticleType))
         bins = np.atleast_1d(bins)
-        for edge in bins:
-            cv.check_value('filter bin', edge, _PARTICLES)
-        self._bins = bins
+        normalized = []
+        for entry in bins:
+            normalized.append(str(openmc.ParticleType(entry)))
+        self._bins = np.array(normalized, dtype=str)
 
     @classmethod
     def from_hdf5(cls, group, **kwargs):
diff --git a/openmc/lib/core.py b/openmc/lib/core.py
index 02c7784d1..79310bb37 100644
--- a/openmc/lib/core.py
+++ b/openmc/lib/core.py
@@ -28,7 +28,7 @@ class _SourceSite(Structure):
                 ('wgt', c_double),
                 ('delayed_group', c_int),
                 ('surf_id', c_int),
-                ('particle', c_int),
+                ('particle', c_int32),
                 ('parent_nuclide', c_int),
                 ('parent_id', c_int64),
                 ('progeny_id', c_int64)]
diff --git a/openmc/lib/filter.py b/openmc/lib/filter.py
index 5cf496107..dc81c3487 100644
--- a/openmc/lib/filter.py
+++ b/openmc/lib/filter.py
@@ -132,6 +132,9 @@ _dll.openmc_meshsurface_filter_set_translation.errcheck = _error_handler
 _dll.openmc_new_filter.argtypes = [c_char_p, POINTER(c_int32)]
 _dll.openmc_new_filter.restype = c_int
 _dll.openmc_new_filter.errcheck = _error_handler
+_dll.openmc_particle_filter_get_bins.argtypes = [c_int32, POINTER(c_int32)]
+_dll.openmc_particle_filter_get_bins.restype = c_int
+_dll.openmc_particle_filter_get_bins.errcheck = _error_handler
 _dll.openmc_spatial_legendre_filter_get_order.argtypes = [c_int32, POINTER(c_int)]
 _dll.openmc_spatial_legendre_filter_get_order.restype = c_int
 _dll.openmc_spatial_legendre_filter_get_order.errcheck = _error_handler
@@ -402,8 +405,8 @@ class MeshFilter(Filter):
     translation : Iterable of float
         3-D coordinates of the translation vector
     rotation : Iterable of float
-        The rotation matrix or angles of the filter mesh. This can either be 
-        a fully specified 3 x 3 rotation matrix or an Iterable of length 3 
+        The rotation matrix or angles of the filter mesh. This can either be
+        a fully specified 3 x 3 rotation matrix or an Iterable of length 3
         with the angles in degrees about the x, y, and z axes, respectively.
 
     """
@@ -454,7 +457,7 @@ class MeshFilter(Filter):
         else:
             raise ValueError(
                 f'Invalid size of rotation matrix: {rot_size}')
-        
+
     @rotation.setter
     def rotation(self, rotation_data):
         flat_rotation = np.asarray(rotation_data, dtype=float).flatten()
@@ -598,9 +601,9 @@ class ParticleFilter(Filter):
 
     @property
     def bins(self):
-        particle_i = np.zeros((self.n_bins,), dtype=c_int)
+        particle_i = np.zeros((self.n_bins,), dtype=c_int32)
         _dll.openmc_particle_filter_get_bins(
-            self._index, particle_i.ctypes.data_as(POINTER(c_int)))
+            self._index, particle_i.ctypes.data_as(POINTER(c_int32)))
         return [ParticleType(i) for i in particle_i]
 
 
diff --git a/openmc/lib/weight_windows.py b/openmc/lib/weight_windows.py
index ed442d33f..2b26d3b55 100644
--- a/openmc/lib/weight_windows.py
+++ b/openmc/lib/weight_windows.py
@@ -53,11 +53,11 @@ _dll.openmc_weight_windows_get_energy_bounds.argtypes = [c_int32, POINTER(POINTE
 _dll.openmc_weight_windows_get_energy_bounds.restype = c_int
 _dll.openmc_weight_windows_get_energy_bounds.errcheck = _error_handler
 
-_dll.openmc_weight_windows_set_particle.argtypes = [c_int32, c_int]
+_dll.openmc_weight_windows_set_particle.argtypes = [c_int32, c_int32]
 _dll.openmc_weight_windows_set_particle.restype = c_int
 _dll.openmc_weight_windows_set_particle.errcheck = _error_handler
 
-_dll.openmc_weight_windows_get_particle.argtypes = [c_int32, POINTER(c_int)]
+_dll.openmc_weight_windows_get_particle.argtypes = [c_int32, POINTER(c_int32)]
 _dll.openmc_weight_windows_get_particle.restype = c_int
 _dll.openmc_weight_windows_get_particle.errcheck = _error_handler
 
@@ -201,16 +201,13 @@ class WeightWindows(_FortranObjectWithID):
 
     @property
     def particle(self):
-        val = c_int()
+        val = c_int32()
         _dll.openmc_weight_windows_get_particle(self._index, val)
         return ParticleType(val.value)
 
     @particle.setter
     def particle(self, p):
-        if isinstance(p, str):
-            p = ParticleType.from_string(p)
-        else:
-            p = ParticleType(p)
+        p = ParticleType(p)
         _dll.openmc_weight_windows_set_particle(self._index, int(p))
 
     @property
@@ -304,10 +301,10 @@ class WeightWindows(_FortranObjectWithID):
         ----------
         tally : openmc.lib.Tally
             The tally used to create the WeightWindows instance.
-        particle : openmc.ParticleType or str, optional
+        particle : openmc.ParticleType or str or int, optional
             The particle type to use for the WeightWindows instance. Should be
-            specified as an instance of ParticleType or as a string with a value of
-            'neutron' or 'photon'.
+            specified as an instance of ParticleType, a PDG number, or as a
+            name.
 
         Returns
         -------
@@ -317,7 +314,8 @@ class WeightWindows(_FortranObjectWithID):
         Raises
         ------
         ValueError
-            If the particle parameter is not an instance of ParticleType or a string.
+            If the particle parameter is not an instance of ParticleType, a string,
+            or an integer PDG number.
         ValueError
             If the particle parameter is not a valid particle type (i.e., not 'neutron'
             or 'photon').
@@ -328,12 +326,13 @@ class WeightWindows(_FortranObjectWithID):
             If the tally does not have a MeshFilter.
         """
         # do some checks on particle value
-        if not isinstance(particle, (ParticleType, str)):
-            raise ValueError(f"Parameter 'particle' must be {ParticleType} or one of ('neutron', 'photon').")
+        if not isinstance(particle, (ParticleType, str, int)):
+            raise ValueError(
+                f"Parameter 'particle' must be {ParticleType} or one of ('neutron', 'photon')."
+            )
 
         # convert particle type if needed
-        if isinstance(particle, str):
-            particle = ParticleType.from_string(particle)
+        particle = ParticleType(particle)
 
         if particle not in (ParticleType.NEUTRON, ParticleType.PHOTON):
             raise ValueError('Weight windows can only be applied for neutrons or photons')
diff --git a/openmc/particle_restart.py b/openmc/particle_restart.py
index 317d8761b..44864107d 100644
--- a/openmc/particle_restart.py
+++ b/openmc/particle_restart.py
@@ -1,6 +1,7 @@
 import h5py
 
 import openmc.checkvalue as cv
+from .particle_type import ParticleType
 
 _VERSION_PARTICLE_RESTART = 2
 
@@ -28,8 +29,8 @@ class Particle:
         Type of simulation (criticality or fixed source)
     id : long
         Identifier of the particle
-    type : int
-        Particle type (1 = neutron, 2 = photon, 3 = electron, 4 = positron)
+    type : openmc.ParticleType
+        Particle type
     weight : float
         Weight of the particle
     energy : float
@@ -52,7 +53,7 @@ class Particle:
             self.energy = f['energy'][()]
             self.generations_per_batch = f['generations_per_batch'][()]
             self.id = f['id'][()]
-            self.type = f['type'][()]
+            self.type = ParticleType(f['type'][()])
             self.n_particles = f['n_particles'][()]
             self.run_mode = f['run_mode'][()].decode()
             self.uvw = f['uvw'][()]
diff --git a/openmc/particle_type.py b/openmc/particle_type.py
new file mode 100644
index 000000000..9d7713443
--- /dev/null
+++ b/openmc/particle_type.py
@@ -0,0 +1,228 @@
+from numbers import Integral
+
+from openmc.data import gnds_name, zam, ATOMIC_SYMBOL
+
+
+_PDG_NAME = {
+    2112: 'neutron',
+    22: 'photon',
+    11: 'electron',
+    -11: 'positron',
+    2212: 'H1',
+}
+
+_ALIAS_PDG = {
+    'neutron': 2112,
+    'n': 2112,
+    'photon': 22,
+    'gamma': 22,
+    'electron': 11,
+    'positron': -11,
+    'proton': 2212,
+    'p': 2212,
+    'h1': 2212,
+    'deuteron': 1000010020,
+    'd': 1000010020,
+    'h2': 1000010020,
+    'triton': 1000010030,
+    't': 1000010030,
+    'h3': 1000010030,
+    'alpha': 1000020040,
+    'he4': 1000020040,
+}
+
+_LEGACY_PARTICLE_INDEX = {
+    0: 2112,
+    1: 22,
+    2: 11,
+    3: -11,
+}
+
+
+class ParticleType:
+    """Particle type defined by a PDG number.
+
+    ParticleType uses the Particle Data Group (PDG) Monte Carlo numbering scheme
+    to uniquely identify particle types. This includes elementary particles
+    (neutrons, photons, etc.) and nuclear codes for isotopes.
+
+    Parameters
+    ----------
+    value : str, int, or ParticleType
+        The particle identifier. Can be:
+
+        - A string name (e.g., 'neutron', 'photon', 'He4', 'U235')
+        - An integer PDG number (e.g., 2112 for neutron)
+        - A string with PDG prefix (e.g., 'pdg:2112')
+        - An existing ParticleType instance
+
+    Attributes
+    ----------
+    pdg_number : int
+        The PDG number for this particle type
+    zam : tuple of int or None
+        For nuclear particles, the (Z, A, m) tuple where Z is atomic number,
+        A is mass number, and m is metastable state. None for elementary particles.
+    is_nucleus : bool
+        Whether this particle is a nucleus (ion)
+
+    Examples
+    --------
+    >>> neutron = ParticleType('neutron')
+    >>> neutron.pdg_number
+    2112
+    >>> he4 = ParticleType('He4')
+    >>> he4.zam
+    (2, 4, 0)
+    >>> ParticleType(2112) == ParticleType('neutron')
+    True
+
+    """
+
+    __slots__ = ('_pdg_number',)
+
+    def __init__(self, value: 'str | int | ParticleType'):
+        if isinstance(value, ParticleType):
+            pdg = value._pdg_number
+        elif isinstance(value, str):
+            pdg = self._pdg_number_from_string(value)
+        elif isinstance(value, Integral):
+            pdg = int(value)
+            # Handle legacy particle indices (0, 1, 2, 3)
+            if pdg in _LEGACY_PARTICLE_INDEX:
+                pdg = _LEGACY_PARTICLE_INDEX[pdg]
+        else:
+            raise TypeError(f"Cannot create ParticleType from {type(value).__name__}")
+
+        self._pdg_number = pdg
+
+    def __eq__(self, other):
+        if isinstance(other, ParticleType):
+            return self._pdg_number == other._pdg_number
+        if isinstance(other, Integral):
+            return self._pdg_number == int(other)
+        if isinstance(other, str):
+            try:
+                return self._pdg_number == ParticleType(other)._pdg_number
+            except (ValueError, TypeError):
+                return False
+        return NotImplemented
+
+    def __hash__(self) -> int:
+        return hash(self._pdg_number)
+
+    def __int__(self) -> int:
+        return self._pdg_number
+
+    @property
+    def pdg_number(self) -> int:
+        return self._pdg_number
+
+    @staticmethod
+    def _pdg_number_from_string(value: str) -> int:
+        """Parse a string to get a PDG number.
+
+        Parameters
+        ----------
+        value : str
+            Particle identifier string
+
+        Returns
+        -------
+        int
+            PDG number
+
+        Raises
+        ------
+        ValueError
+            If string cannot be parsed as a valid particle identifier
+
+        """
+        s = value.strip()
+        if not s:
+            raise ValueError('Particle identifier cannot be empty.')
+
+        lower = s.lower()
+        if lower.startswith('pdg:'):
+            code_str = lower[4:]
+            try:
+                return int(code_str)
+            except ValueError:
+                raise ValueError(f'Invalid PDG number: {code_str}')
+
+        if lower in _ALIAS_PDG:
+            return _ALIAS_PDG[lower]
+
+        # Assume it is a GNDS nuclide name
+        Z, A, m = zam(s)
+        if Z <= 0 or Z > 999 or A <= 0 or A > 999 or m < 0 or m > 9:
+            raise ValueError('Invalid Z/A/m for nuclear PDG number.')
+        return 1000000000 + Z * 10000 + A * 10 + m
+
+    def __repr__(self) -> str:
+        return f'<ParticleType: {str(self)} (PDG={self._pdg_number})>'
+
+    def __str__(self) -> str:
+        """Return a canonical string representation of the particle type.
+
+        Returns
+        -------
+        str
+            Canonical name (e.g., 'neutron', 'He4', 'pdg:12345')
+
+        """
+        if self._pdg_number in _PDG_NAME:
+            return _PDG_NAME[self._pdg_number]
+
+        if (zam_tuple := self.zam) is not None:
+            Z, A, m = zam_tuple
+            if Z <= 0 or Z > max(ATOMIC_SYMBOL) or A <= 0 or A > 999:
+                raise ValueError(f"Invalid nuclear PDG number: {self._pdg_number}")
+            return gnds_name(Z, A, m)
+
+        return f'pdg:{self._pdg_number}'
+
+    @property
+    def zam(self) -> 'tuple[int, int, int] | None':
+        """Return the (Z, A, m) tuple for nuclear particles.
+
+        Returns
+        -------
+        tuple of int or None
+            For nuclear particles, returns (Z, A, m) where Z is atomic number,
+            A is mass number, and m is metastable state. Returns None for
+            elementary particles.
+
+        """
+        if self._pdg_number < 1000000000:
+            return None
+        Z = (self._pdg_number // 10000) % 1000
+        A = (self._pdg_number // 10) % 1000
+        m = self._pdg_number % 10
+        if Z <= 0 or A <= 0:
+            return None
+        else:
+            return (Z, A, m)
+
+    @property
+    def is_nucleus(self) -> bool:
+        """Return whether this particle is a nucleus.
+
+        Returns
+        -------
+        bool
+            True if the particle is a nucleus (ion), False otherwise
+
+        """
+        return self.zam is not None
+
+
+# Define common particle constants
+ParticleType.NEUTRON = ParticleType(2112)
+ParticleType.PHOTON = ParticleType(22)
+ParticleType.ELECTRON = ParticleType(11)
+ParticleType.POSITRON = ParticleType(-11)
+ParticleType.PROTON = ParticleType(2212)
+ParticleType.DEUTERON = ParticleType(1000010020)
+ParticleType.TRITON = ParticleType(1000010030)
+ParticleType.ALPHA = ParticleType(1000020040)
diff --git a/openmc/source.py b/openmc/source.py
index 5acf55c21..a11cfd6c8 100644
--- a/openmc/source.py
+++ b/openmc/source.py
@@ -1,7 +1,6 @@
 from __future__ import annotations
 from abc import ABC, abstractmethod
 from collections.abc import Iterable, Sequence
-from enum import IntEnum
 from numbers import Real
 from pathlib import Path
 import warnings
@@ -19,6 +18,8 @@ from openmc.stats.multivariate import UnitSphere, Spatial
 from openmc.stats.univariate import Univariate
 from ._xml import get_elem_list, get_text
 from .mesh import MeshBase, StructuredMesh, UnstructuredMesh
+from .particle_type import ParticleType
+from .statepoint import _VERSION_STATEPOINT
 from .utility_funcs import input_path
 
 
@@ -265,8 +266,8 @@ class IndependentSource(SourceBase):
         time distribution of source sites
     strength : float
         Strength of the source
-    particle : {'neutron', 'photon', 'electron', 'positron'}
-        Source particle type
+    particle : str or int or openmc.ParticleType
+        Source particle type (name, PDG number, or type)
     domains : iterable of openmc.Cell, openmc.Material, or openmc.Universe
         Domains to reject based on, i.e., if a sampled spatial location is not
         within one of these domains, it will be rejected.
@@ -302,10 +303,9 @@ class IndependentSource(SourceBase):
     type : str
         Indicator of source type: 'independent'
 
-    .. versionadded:: 0.14.0
-
-    particle : {'neutron', 'photon', 'electron', 'positron'}
-        Source particle type
+        .. versionadded:: 0.14.0
+    particle : str or int or openmc.ParticleType
+        Source particle type (alias, PDG number, or GNDS nuclide name)
     constraints : dict
         Constraints on sampled source particles. Valid keys include
         'domain_type', 'domain_ids', 'time_bounds', 'energy_bounds',
@@ -320,7 +320,7 @@ class IndependentSource(SourceBase):
         energy: openmc.stats.Univariate | None = None,
         time: openmc.stats.Univariate | None = None,
         strength: float = 1.0,
-        particle: str = 'neutron',
+        particle: str | int | ParticleType = 'neutron',
         domains: Sequence[openmc.Cell | openmc.Material |
                           openmc.Universe] | None = None,
         constraints: dict[str, Any] | None = None
@@ -405,14 +405,12 @@ class IndependentSource(SourceBase):
         self._time = time
 
     @property
-    def particle(self):
+    def particle(self) -> ParticleType:
         return self._particle
 
     @particle.setter
     def particle(self, particle):
-        cv.check_value('source particle', particle,
-                       ['neutron', 'photon', 'electron', 'positron'])
-        self._particle = particle
+        self._particle = ParticleType(particle)
 
     def populate_xml_element(self, element):
         """Add necessary source information to an XML element
@@ -423,7 +421,7 @@ class IndependentSource(SourceBase):
             XML element containing source data
 
         """
-        element.set("particle", self.particle)
+        element.set("particle", str(self.particle))
         if self.space is not None:
             element.append(self.space.to_xml_element())
         if self.angle is not None:
@@ -898,76 +896,6 @@ class FileSource(SourceBase):
         return cls(**kwargs)
 
 
-class ParticleType(IntEnum):
-    """
-    IntEnum class representing a particle type. Type
-    values mirror those found in the C++ class.
-    """
-    NEUTRON = 0
-    PHOTON = 1
-    ELECTRON = 2
-    POSITRON = 3
-
-    @classmethod
-    def from_string(cls, value: str):
-        """
-        Constructs a ParticleType instance from a string.
-
-        Parameters
-        ----------
-        value : str
-            The string representation of the particle type.
-
-        Returns
-        -------
-        The corresponding ParticleType instance.
-        """
-        try:
-            return cls[value.upper()]
-        except KeyError:
-            raise ValueError(
-                f"Invalid string for creation of {cls.__name__}: {value}")
-
-    @classmethod
-    def from_pdg_number(cls, pdg_number: int) -> ParticleType:
-        """Constructs a ParticleType instance from a PDG number.
-
-        The Particle Data Group at LBNL publishes a Monte Carlo particle
-        numbering scheme as part of the `Review of Particle Physics
-        <10.1103/PhysRevD.110.030001>`_. This method maps PDG numbers to the
-        corresponding :class:`ParticleType`.
-
-        Parameters
-        ----------
-        pdg_number : int
-            The PDG number of the particle type.
-
-        Returns
-        -------
-        The corresponding ParticleType instance.
-        """
-        try:
-            return {
-                2112: ParticleType.NEUTRON,
-                22: ParticleType.PHOTON,
-                11: ParticleType.ELECTRON,
-                -11: ParticleType.POSITRON,
-            }[pdg_number]
-        except KeyError:
-            raise ValueError(f"Unrecognized PDG number: {pdg_number}")
-
-    def __repr__(self) -> str:
-        """
-        Returns a string representation of the ParticleType instance.
-
-        Returns:
-            str: The lowercase name of the ParticleType instance.
-        """
-        return self.name.lower()
-
-    # needed for < Python 3.11
-    def __str__(self) -> str:
-        return self.__repr__()
 
 
 class SourceParticle:
@@ -992,8 +920,8 @@ class SourceParticle:
         Delayed group particle was created in (neutrons only)
     surf_id : int
         Surface ID where particle is at, if any.
-    particle : ParticleType
-        Type of the particle
+    particle : ParticleType or str or int
+        Type of the particle (type, name, or PDG number)
 
     """
 
@@ -1006,7 +934,7 @@ class SourceParticle:
         wgt: float = 1.0,
         delayed_group: int = 0,
         surf_id: int = 0,
-        particle: ParticleType = ParticleType.NEUTRON
+        particle: ParticleType | str | int = ParticleType.NEUTRON
     ):
 
         self.r = tuple(r)
@@ -1018,9 +946,16 @@ class SourceParticle:
         self.surf_id = surf_id
         self.particle = particle
 
+    @property
+    def particle(self) -> ParticleType:
+        return self._particle
+
+    @particle.setter
+    def particle(self, particle):
+        self._particle = ParticleType(particle)
+
     def __repr__(self):
-        name = self.particle.name.lower()
-        return f'<SourceParticle: {name} at E={self.E:.6e} eV>'
+        return f'<SourceParticle: {str(self.particle)} at E={self.E:.6e} eV>'
 
     def to_tuple(self) -> tuple:
         """Return source particle attributes as a tuple
@@ -1032,7 +967,7 @@ class SourceParticle:
 
         """
         return (self.r, self.u, self.E, self.time, self.wgt,
-                self.delayed_group, self.surf_id, self.particle.value)
+                self.delayed_group, self.surf_id, self.particle.pdg_number)
 
 
 def write_source_file(
@@ -1116,12 +1051,7 @@ class ParticleList(list):
         particles = []
         with mcpl.MCPLFile(filename) as f:
             for particle in f.particles:
-                # Determine particle type based on the PDG number
-                try:
-                    particle_type = ParticleType.from_pdg_number(
-                        particle.pdgcode)
-                except ValueError:
-                    particle_type = "UNKNOWN"
+                particle_type = ParticleType(particle.pdgcode)
 
                 # Create a source particle instance. Note that MCPL stores
                 # energy in MeV and time in ms.
@@ -1179,7 +1109,7 @@ class ParticleList(list):
         # Extract the attributes of the source particles into a list of tuples
         data = [(sp.r[0], sp.r[1], sp.r[2], sp.u[0], sp.u[1], sp.u[2],
                  sp.E, sp.time, sp.wgt, sp.delayed_group, sp.surf_id,
-                 sp.particle.name.lower()) for sp in self]
+                 str(sp.particle)) for sp in self]
 
         # Define the column names for the DataFrame
         columns = ['x', 'y', 'z', 'u_x', 'u_y', 'u_z', 'E', 'time', 'wgt',
@@ -1226,6 +1156,7 @@ class ParticleList(list):
         kwargs.setdefault('mode', 'w')
         with h5py.File(filename, **kwargs) as fh:
             fh.attrs['filetype'] = np.bytes_("source")
+            fh.attrs['version'] = np.array([_VERSION_STATEPOINT, 2])
             fh.create_dataset('source_bank', data=arr, dtype=source_dtype)
 
 
@@ -1337,7 +1268,7 @@ def read_collision_track_mcpl(file_path):
             data['material_id'].append(int(values_dict.get('material_id', 0)))
             data['universe_id'].append(int(values_dict.get('universe_id', 0)))
             data['n_collision'].append(int(values_dict.get('n_collision', 0)))
-            data['particle'].append(ParticleType.from_pdg_number(p.pdgcode))
+            data['particle'].append(ParticleType(p.pdgcode))
             data['parent_id'].append(int(values_dict.get('parent_id', 0)))
             data['progeny_id'].append(int(values_dict.get('progeny_id', 0)))
 
diff --git a/openmc/tracks.py b/openmc/tracks.py
index 81646e7d2..44e3c0eba 100644
--- a/openmc/tracks.py
+++ b/openmc/tracks.py
@@ -4,7 +4,8 @@ from collections.abc import Sequence
 import h5py
 
 from .checkvalue import check_filetype_version
-from .source import SourceParticle, ParticleType
+from .particle_type import ParticleType
+from .source import SourceParticle
 
 from pathlib import Path
 
@@ -25,7 +26,7 @@ states : numpy.ndarray
 
 """
 def _particle_track_repr(self):
-    return f"<ParticleTrack: {self.particle}, {len(self.states)} states>"
+    return f"<ParticleTrack: {str(self.particle)}, {len(self.states)} states>"
 ParticleTrack.__repr__ = _particle_track_repr
 
 
@@ -92,8 +93,8 @@ class Track(Sequence):
 
         Parameters
         ----------
-        particle : {'neutron', 'photon', 'electron', 'positron'}
-            Matching particle type
+        particle : str or int or openmc.ParticleType
+            Matching particle type (name, PDG number, or type)
         state_filter : function
             Function that takes a state (structured datatype) and returns a bool
             depending on some criteria.
@@ -126,7 +127,7 @@ class Track(Sequence):
         for t in self:
             # Check for matching particle
             if particle is not None:
-                if t.particle.name.lower() != particle:
+                if t.particle != ParticleType(particle):
                     continue
 
             # Apply arbitrary state filter
@@ -184,7 +185,7 @@ class Track(Sequence):
     def sources(self):
         sources = []
         for particle_track in self:
-            particle_type = ParticleType(particle_track.particle)
+            particle_type = particle_track.particle
             state = particle_track.states[0]
             sources.append(
                 SourceParticle(
diff --git a/openmc/weight_windows.py b/openmc/weight_windows.py
index 5d52a579a..7797986df 100644
--- a/openmc/weight_windows.py
+++ b/openmc/weight_windows.py
@@ -10,13 +10,12 @@ import numpy as np
 import h5py
 
 import openmc
-from openmc.filter import _PARTICLES
 from openmc.mesh import MeshBase, RectilinearMesh, CylindricalMesh, SphericalMesh, UnstructuredMesh
 import openmc.checkvalue as cv
 from openmc.checkvalue import PathLike
 from ._xml import get_elem_list, get_text, clean_indentation
 from .mixin import IDManagerMixin
-from .utility_funcs import change_directory
+from .particle_type import ParticleType
 
 
 class WeightWindows(IDManagerMixin):
@@ -51,7 +50,7 @@ class WeightWindows(IDManagerMixin):
         A list of values for which each successive pair constitutes a range of
         energies in [eV] for a single bin. If no energy bins are provided, the
         maximum and minimum energy for the data available at runtime.
-    particle_type : {'neutron', 'photon'}
+    particle_type : str or int or openmc.ParticleType
         Particle type the weight windows apply to
     survival_ratio : float
         Ratio of the survival weight to the lower weight window bound for
@@ -116,7 +115,7 @@ class WeightWindows(IDManagerMixin):
         upper_ww_bounds: Iterable[float] | None = None,
         upper_bound_ratio: float | None = None,
         energy_bounds: Iterable[Real] | None = None,
-        particle_type: str = 'neutron',
+        particle_type: str | int | openmc.ParticleType = 'neutron',
         survival_ratio: float = 3.0,
         max_lower_bound_ratio: float | None = None,
         max_split: int = 10,
@@ -213,13 +212,15 @@ class WeightWindows(IDManagerMixin):
         self._mesh = mesh
 
     @property
-    def particle_type(self) -> str:
+    def particle_type(self) -> ParticleType:
         return self._particle_type
 
     @particle_type.setter
-    def particle_type(self, pt: str):
-        cv.check_value('Particle type', pt, _PARTICLES)
-        self._particle_type = pt
+    def particle_type(self, pt):
+        ptype = ParticleType(pt)
+        if ptype not in {ParticleType.NEUTRON, ParticleType.PHOTON}:
+            raise ValueError("Weight windows can only be applied for neutrons or photons")
+        self._particle_type = ptype
 
     @property
     def energy_bounds(self) -> Iterable[Real]:
@@ -329,7 +330,7 @@ class WeightWindows(IDManagerMixin):
         subelement.text = str(self.mesh.id)
 
         subelement = ET.SubElement(element, 'particle_type')
-        subelement.text = self.particle_type
+        subelement.text = str(self.particle_type)
 
         if self.energy_bounds is not None:
             subelement = ET.SubElement(element, 'energy_bounds')
@@ -494,7 +495,7 @@ class WeightWindowGenerator:
         A list of values for which each successive pair constitutes a range of
         energies in [eV] for a single bin. If no energy bins are provided, the
         maximum and minimum energy for the data available at runtime.
-    particle_type : {'neutron', 'photon'}
+    particle_type : str or int or openmc.ParticleType
         Particle type the weight windows apply to
     method : {'magic', 'fw_cadis'}
         The weight window generation methodology applied during an update.
@@ -513,7 +514,7 @@ class WeightWindowGenerator:
     energy_bounds : Iterable of Real
         A list of values for which each successive pair constitutes a range of
         energies in [eV] for a single bin
-    particle_type : {'neutron', 'photon'}
+    particle_type : openmc.ParticleType
         Particle type the weight windows apply to
     method : {'magic', 'fw_cadis'}
         The weight window generation methodology applied during an update.
@@ -534,7 +535,7 @@ class WeightWindowGenerator:
         self,
         mesh: openmc.MeshBase,
         energy_bounds: Sequence[float] | None = None,
-        particle_type: str = 'neutron',
+        particle_type: str | int | openmc.ParticleType = 'neutron',
         method: str = 'magic',
         max_realizations: int = 1,
         update_interval: int = 1,
@@ -555,7 +556,7 @@ class WeightWindowGenerator:
     def __repr__(self):
         string = type(self).__name__ + '\n'
         string += f'\t{"Mesh":<20}=\t{self.mesh.id}\n'
-        string += f'\t{"Particle:":<20}=\t{self.particle_type}\n'
+        string += f'\t{"Particle:":<20}=\t{str(self.particle_type)}\n'
         string += f'\t{"Energy Bounds:":<20}=\t{self.energy_bounds}\n'
         string += f'\t{"Method":<20}=\t{self.method}\n'
         string += f'\t{"Max Realizations:":<20}=\t{self.max_realizations}\n'
@@ -586,13 +587,15 @@ class WeightWindowGenerator:
         self._energy_bounds = eb
 
     @property
-    def particle_type(self) -> str:
+    def particle_type(self) -> ParticleType:
         return self._particle_type
 
     @particle_type.setter
-    def particle_type(self, pt: str):
-        cv.check_value('particle type', pt, ('neutron', 'photon'))
-        self._particle_type = pt
+    def particle_type(self, pt):
+        ptype = ParticleType(pt)
+        if ptype not in {ParticleType.NEUTRON, ParticleType.PHOTON}:
+            raise ValueError("Weight windows can only be applied for neutrons or photons")
+        self._particle_type = ptype
 
     @property
     def method(self) -> str:
@@ -695,7 +698,7 @@ class WeightWindowGenerator:
             subelement = ET.SubElement(element, 'energy_bounds')
             subelement.text = ' '.join(str(e) for e in self.energy_bounds)
         particle_elem = ET.SubElement(element, 'particle_type')
-        particle_elem.text = self.particle_type
+        particle_elem.text = str(self.particle_type)
         realizations_elem = ET.SubElement(element, 'max_realizations')
         realizations_elem.text = str(self.max_realizations)
         update_interval_elem = ET.SubElement(element, 'update_interval')
@@ -730,7 +733,7 @@ class WeightWindowGenerator:
 
         mesh_id = int(get_text(elem, 'mesh'))
         mesh = meshes[mesh_id]
-        
+
         energy_bounds = get_elem_list(elem, "energy_bounds, float")
         particle_type = get_text(elem, 'particle_type')
 
diff --git a/src/bremsstrahlung.cpp b/src/bremsstrahlung.cpp
index a2320e0b4..d77066fb0 100644
--- a/src/bremsstrahlung.cpp
+++ b/src/bremsstrahlung.cpp
@@ -31,13 +31,13 @@ void thick_target_bremsstrahlung(Particle& p, double* E_lost)
   if (p.material() == MATERIAL_VOID)
     return;
 
-  int photon = static_cast<int>(ParticleType::photon);
+  int photon = ParticleType::photon().transport_index();
   if (p.E() < settings::energy_cutoff[photon])
     return;
 
   // Get bremsstrahlung data for this material and particle type
   BremsstrahlungData* mat;
-  if (p.type() == ParticleType::positron) {
+  if (p.type() == ParticleType::positron()) {
     mat = &model::materials[p.material()]->ttb_->positron;
   } else {
     mat = &model::materials[p.material()]->ttb_->electron;
@@ -119,7 +119,7 @@ void thick_target_bremsstrahlung(Particle& p, double* E_lost)
       }
 
       // Create secondary photon
-      p.create_secondary(p.wgt(), p.u(), w, ParticleType::photon);
+      p.create_secondary(p.wgt(), p.u(), w, ParticleType::photon());
       *E_lost += w;
     }
   }
diff --git a/src/material.cpp b/src/material.cpp
index 54caa3840..072e6deca 100644
--- a/src/material.cpp
+++ b/src/material.cpp
@@ -819,9 +819,9 @@ void Material::calculate_xs(Particle& p) const
   p.macro_xs().fission = 0.0;
   p.macro_xs().nu_fission = 0.0;
 
-  if (p.type() == ParticleType::neutron) {
+  if (p.type().is_neutron()) {
     this->calculate_neutron_xs(p);
-  } else if (p.type() == ParticleType::photon) {
+  } else if (p.type().is_photon()) {
     this->calculate_photon_xs(p);
   }
 }
@@ -829,7 +829,7 @@ void Material::calculate_xs(Particle& p) const
 void Material::calculate_neutron_xs(Particle& p) const
 {
   // Find energy index on energy grid
-  int neutron = static_cast<int>(ParticleType::neutron);
+  int neutron = ParticleType::neutron().transport_index();
   int i_grid =
     std::log(p.E() / data::energy_min[neutron]) / simulation::log_spacing;
 
diff --git a/src/mcpl_interface.cpp b/src/mcpl_interface.cpp
index 256f3343f..30c41ec5a 100644
--- a/src/mcpl_interface.cpp
+++ b/src/mcpl_interface.cpp
@@ -321,25 +321,7 @@ inline void ensure_mcpl_ready_or_fatal()
 SourceSite mcpl_particle_to_site(const mcpl_particle_repr_t* particle_repr)
 {
   SourceSite site;
-  switch (particle_repr->pdgcode) {
-  case 2112:
-    site.particle = ParticleType::neutron;
-    break;
-  case 22:
-    site.particle = ParticleType::photon;
-    break;
-  case 11:
-    site.particle = ParticleType::electron;
-    break;
-  case -11:
-    site.particle = ParticleType::positron;
-    break;
-  default:
-    fatal_error(fmt::format(
-      "MCPL: Encountered unexpected PDG code {} when converting to SourceSite.",
-      particle_repr->pdgcode));
-    break;
-  }
+  site.particle = ParticleType {particle_repr->pdgcode};
 
   // Copy position and direction
   site.r.x = particle_repr->position[0];
@@ -368,7 +350,6 @@ vector<SourceSite> mcpl_source_sites(std::string path)
   }
 
   size_t n_particles_in_file = g_mcpl_api->hdr_nparticles(mcpl_file);
-  size_t n_skipped = 0;
   if (n_particles_in_file > 0) {
     sites.reserve(n_particles_in_file);
   }
@@ -381,31 +362,16 @@ vector<SourceSite> mcpl_source_sites(std::string path)
         path, sites.size(), n_particles_in_file));
       break;
     }
-    if (p_repr->pdgcode == 2112 || p_repr->pdgcode == 22 ||
-        p_repr->pdgcode == 11 || p_repr->pdgcode == -11) {
-      sites.push_back(mcpl_particle_to_site(p_repr));
-    } else {
-      n_skipped++;
-    }
+    sites.push_back(mcpl_particle_to_site(p_repr));
   }
 
   g_mcpl_api->close_file(mcpl_file);
 
-  if (n_skipped > 0 && n_particles_in_file > 0) {
-    double percent_skipped =
-      100.0 * static_cast<double>(n_skipped) / n_particles_in_file;
-    warning(fmt::format(
-      "MCPL: Skipped {} of {} total particles ({:.1f}%) in file '{}' because "
-      "their type is not supported by OpenMC.",
-      n_skipped, n_particles_in_file, percent_skipped, path));
-  }
-
   if (sites.empty()) {
     if (n_particles_in_file > 0) {
       fatal_error(fmt::format(
-        "MCPL file '{}' contained {} particles, but none were of the supported "
-        "types (neutron, photon, electron, positron). OpenMC cannot proceed "
-        "without source particles.",
+        "MCPL file '{}' contained {} particles, but no particles could be "
+        "read.",
         path, n_particles_in_file));
     } else {
       fatal_error(fmt::format(
@@ -461,22 +427,7 @@ void write_mcpl_source_bank_internal(mcpl_outfile_t* file_id,
         p_repr.ekin = site.E * 1e-6;
         p_repr.time = site.time * 1e3;
         p_repr.weight = site.wgt;
-        switch (site.particle) {
-        case ParticleType::neutron:
-          p_repr.pdgcode = 2112;
-          break;
-        case ParticleType::photon:
-          p_repr.pdgcode = 22;
-          break;
-        case ParticleType::electron:
-          p_repr.pdgcode = 11;
-          break;
-        case ParticleType::positron:
-          p_repr.pdgcode = -11;
-          break;
-        default:
-          continue;
-        }
+        p_repr.pdgcode = site.particle.pdg_number();
         g_mcpl_api->add_particle(file_id, &p_repr);
       }
     }
@@ -633,22 +584,7 @@ void write_mcpl_collision_track_internal(mcpl_outfile_t* file_id,
       p_repr.ekin = site.E * 1e-6;
       p_repr.time = site.time * 1e3;
       p_repr.weight = site.wgt;
-      switch (site.particle) {
-      case ParticleType::neutron:
-        p_repr.pdgcode = 2112;
-        break;
-      case ParticleType::photon:
-        p_repr.pdgcode = 22;
-        break;
-      case ParticleType::electron:
-        p_repr.pdgcode = 11;
-        break;
-      case ParticleType::positron:
-        p_repr.pdgcode = -11;
-        break;
-      default:
-        continue;
-      }
+      p_repr.pdgcode = site.particle.pdg_number();
       g_mcpl_api->add_particle(file_id, &p_repr);
     }
   } else {
diff --git a/src/mesh.cpp b/src/mesh.cpp
index 0b45774ff..a72b1441f 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -486,7 +486,7 @@ void Mesh::material_volumes(int nx, int ny, int nz, int table_size,
 
     SourceSite site;
     site.E = 1.0;
-    site.particle = ParticleType::neutron;
+    site.particle = ParticleType::neutron();
 
     for (int axis = 0; axis < 3; ++axis) {
       // Set starting position and direction
diff --git a/src/mgxs_interface.cpp b/src/mgxs_interface.cpp
index ed734d401..34f87d179 100644
--- a/src/mgxs_interface.cpp
+++ b/src/mgxs_interface.cpp
@@ -244,7 +244,7 @@ void MgxsInterface::read_header(const std::string& path_cross_sections)
 void put_mgxs_header_data_to_globals()
 {
   // Get the minimum and maximum energies
-  int neutron = static_cast<int>(ParticleType::neutron);
+  int neutron = ParticleType::neutron().transport_index();
   data::energy_min[neutron] = data::mg.energy_bins_.back();
   data::energy_max[neutron] = data::mg.energy_bins_.front();
 
diff --git a/src/nuclide.cpp b/src/nuclide.cpp
index 5ae6e30ee..69e603a7c 100644
--- a/src/nuclide.cpp
+++ b/src/nuclide.cpp
@@ -379,7 +379,7 @@ void Nuclide::create_derived(
       auto pprod = xt::view(xs_[t], xt::range(j, j + n), XS_PHOTON_PROD);
 
       for (const auto& p : rx->products_) {
-        if (p.particle_ == ParticleType::photon) {
+        if (p.particle_.is_photon()) {
           for (int k = 0; k < n; ++k) {
             double E = grid_[t].energy[k + j];
 
@@ -501,7 +501,7 @@ void Nuclide::create_derived(
 
 void Nuclide::init_grid()
 {
-  int neutron = static_cast<int>(ParticleType::neutron);
+  int neutron = ParticleType::neutron().transport_index();
   double E_min = data::energy_min[neutron];
   double E_max = data::energy_max[neutron];
   int M = settings::n_log_bins;
@@ -552,7 +552,7 @@ double Nuclide::nu(double E, EmissionMode mode, int group) const
         for (int i = 1; i < rx->products_.size(); ++i) {
           // Skip any non-neutron products
           const auto& product = rx->products_[i];
-          if (product.particle_ != ParticleType::neutron)
+          if (!product.particle_.is_neutron())
             continue;
 
           // Evaluate yield
diff --git a/src/output.cpp b/src/output.cpp
index 80e2b10ab..ae2daaffc 100644
--- a/src/output.cpp
+++ b/src/output.cpp
@@ -155,21 +155,21 @@ std::string time_stamp()
 void print_particle(Particle& p)
 {
   // Display particle type and ID.
-  switch (p.type()) {
-  case ParticleType::neutron:
+  switch (p.type().pdg_number()) {
+  case PDG_NEUTRON:
     fmt::print("Neutron ");
     break;
-  case ParticleType::photon:
+  case PDG_PHOTON:
     fmt::print("Photon ");
     break;
-  case ParticleType::electron:
+  case PDG_ELECTRON:
     fmt::print("Electron ");
     break;
-  case ParticleType::positron:
+  case PDG_POSITRON:
     fmt::print("Positron ");
     break;
   default:
-    fmt::print("Unknown Particle ");
+    fmt::print("Particle {} ", p.type().str());
   }
   fmt::print("{}\n", p.id());
 
diff --git a/src/particle.cpp b/src/particle.cpp
index b9f9c8f86..a1176abc7 100644
--- a/src/particle.cpp
+++ b/src/particle.cpp
@@ -48,17 +48,19 @@ double Particle::speed() const
   if (settings::run_CE) {
     // Determine mass in eV/c^2
     double mass;
-    switch (this->type()) {
-    case ParticleType::neutron:
+    switch (this->type().pdg_number()) {
+    case PDG_NEUTRON:
       mass = MASS_NEUTRON_EV;
       break;
-    case ParticleType::photon:
+    case PDG_PHOTON:
       mass = 0.0;
       break;
-    case ParticleType::electron:
-    case ParticleType::positron:
+    case PDG_ELECTRON:
+    case PDG_POSITRON:
       mass = MASS_ELECTRON_EV;
       break;
+    default:
+      fatal_error("Unsupported particle for speed calculation.");
     }
     // Equivalent to C * sqrt(1-(m/(m+E))^2) without problem at E<<m:
     return C_LIGHT * std::sqrt(this->E() * (this->E() + 2 * mass)) /
@@ -77,7 +79,11 @@ bool Particle::create_secondary(
 {
   // If energy is below cutoff for this particle, don't create secondary
   // particle
-  if (E < settings::energy_cutoff[static_cast<int>(type)]) {
+  int idx = type.transport_index();
+  if (idx == C_NONE) {
+    return false;
+  }
+  if (E < settings::energy_cutoff[idx]) {
     return false;
   }
 
@@ -235,7 +241,8 @@ void Particle::event_advance()
   boundary() = distance_to_boundary(*this);
 
   // Sample a distance to collision
-  if (type() == ParticleType::electron || type() == ParticleType::positron) {
+  if (type() == ParticleType::electron() ||
+      type() == ParticleType::positron()) {
     collision_distance() = material() == MATERIAL_VOID ? INFINITY : 0.0;
   } else if (macro_xs().total == 0.0) {
     collision_distance() = INFINITY;
@@ -244,7 +251,7 @@ void Particle::event_advance()
   }
 
   double speed = this->speed();
-  double time_cutoff = settings::time_cutoff[static_cast<int>(type())];
+  double time_cutoff = settings::time_cutoff[type().transport_index()];
   double distance_cutoff =
     (time_cutoff < INFTY) ? (time_cutoff - time()) * speed : INFTY;
 
@@ -269,8 +276,7 @@ void Particle::event_advance()
   }
 
   // Score track-length estimate of k-eff
-  if (settings::run_mode == RunMode::EIGENVALUE &&
-      type() == ParticleType::neutron) {
+  if (settings::run_mode == RunMode::EIGENVALUE && type().is_neutron()) {
     keff_tally_tracklength() += wgt() * distance * macro_xs().nu_fission;
   }
 
@@ -331,8 +337,7 @@ void Particle::event_cross_surface()
 void Particle::event_collide()
 {
   // Score collision estimate of keff
-  if (settings::run_mode == RunMode::EIGENVALUE &&
-      type() == ParticleType::neutron) {
+  if (settings::run_mode == RunMode::EIGENVALUE && type().is_neutron()) {
     keff_tally_collision() += wgt() * macro_xs().nu_fission / macro_xs().total;
   }
 
@@ -370,8 +375,7 @@ void Particle::event_collide()
     }
   }
 
-  if (!model::active_pulse_height_tallies.empty() &&
-      type() == ParticleType::photon) {
+  if (!model::active_pulse_height_tallies.empty() && type().is_photon()) {
     pht_collision_energy();
   }
 
@@ -442,7 +446,7 @@ void Particle::event_revive_from_secondary()
 
     // Subtract secondary particle energy from interim pulse-height results
     if (!model::active_pulse_height_tallies.empty() &&
-        this->type() == ParticleType::photon) {
+        this->type().is_photon()) {
       // Since the birth cell of the particle has not been set we
       // have to determine it before the energy of the secondary particle can be
       // removed from the pulse-height of this cell.
@@ -525,7 +529,7 @@ void Particle::pht_collision_energy()
 
     // If the energy of the particle is below the cutoff, it will not be sampled
     // so its energy is added to the pulse-height in the cell
-    int photon = static_cast<int>(ParticleType::photon);
+    int photon = ParticleType::photon().transport_index();
     if (E() < settings::energy_cutoff[photon]) {
       pht_storage()[index] += E();
     }
@@ -824,7 +828,7 @@ void Particle::write_restart() const
       break;
     }
     write_dataset(file_id, "id", id());
-    write_dataset(file_id, "type", static_cast<int>(type()));
+    write_dataset(file_id, "type", type().pdg_number());
 
     int64_t i = current_work();
     if (settings::run_mode == RunMode::EIGENVALUE) {
@@ -878,37 +882,6 @@ void Particle::update_neutron_xs(
 //==============================================================================
 // Non-method functions
 //==============================================================================
-
-std::string particle_type_to_str(ParticleType type)
-{
-  switch (type) {
-  case ParticleType::neutron:
-    return "neutron";
-  case ParticleType::photon:
-    return "photon";
-  case ParticleType::electron:
-    return "electron";
-  case ParticleType::positron:
-    return "positron";
-  }
-  UNREACHABLE();
-}
-
-ParticleType str_to_particle_type(std::string str)
-{
-  if (str == "neutron") {
-    return ParticleType::neutron;
-  } else if (str == "photon") {
-    return ParticleType::photon;
-  } else if (str == "electron") {
-    return ParticleType::electron;
-  } else if (str == "positron") {
-    return ParticleType::positron;
-  } else {
-    throw std::invalid_argument {fmt::format("Invalid particle name: {}", str)};
-  }
-}
-
 void add_surf_source_to_bank(Particle& p, const Surface& surf)
 {
   if (simulation::current_batch <= settings::n_inactive ||
diff --git a/src/particle_restart.cpp b/src/particle_restart.cpp
index 6b7778211..f02fcb94b 100644
--- a/src/particle_restart.cpp
+++ b/src/particle_restart.cpp
@@ -31,6 +31,16 @@ void read_particle_restart(Particle& p, RunMode& previous_run_mode)
   hid_t file_id = file_open(settings::path_particle_restart, 'r');
 
   // Read data from file
+  bool legacy_particle_codes = true;
+  if (attribute_exists(file_id, "version")) {
+    array<int, 2> version;
+    read_attribute(file_id, "version", version);
+    if (version[0] > VERSION_PARTICLE_RESTART[0] ||
+        (version[0] == VERSION_PARTICLE_RESTART[0] && version[1] >= 1)) {
+      legacy_particle_codes = false;
+    }
+  }
+
   read_dataset(file_id, "current_batch", simulation::current_batch);
   read_dataset(file_id, "generations_per_batch", settings::gen_per_batch);
   read_dataset(file_id, "current_generation", simulation::current_gen);
@@ -45,7 +55,8 @@ void read_particle_restart(Particle& p, RunMode& previous_run_mode)
   read_dataset(file_id, "id", p.id());
   int type;
   read_dataset(file_id, "type", type);
-  p.type() = static_cast<ParticleType>(type);
+  p.type() = legacy_particle_codes ? legacy_particle_index_to_type(type)
+                                   : ParticleType {type};
   read_dataset(file_id, "weight", p.wgt());
   read_dataset(file_id, "energy", p.E());
   read_dataset(file_id, "xyz", p.r());
diff --git a/src/particle_type.cpp b/src/particle_type.cpp
new file mode 100644
index 000000000..fe8f9fe2a
--- /dev/null
+++ b/src/particle_type.cpp
@@ -0,0 +1,246 @@
+#include "openmc/particle_type.h"
+
+#include <algorithm>
+#include <cctype>
+#include <stdexcept>
+
+#include "openmc/string_utils.h"
+
+namespace openmc {
+namespace {
+
+constexpr const char* ATOMIC_SYMBOL[] = {"", "H", "He", "Li", "Be", "B", "C",
+  "N", "O", "F", "Ne", "Na", "Mg", "Al", "Si", "P", "S", "Cl", "Ar", "K", "Ca",
+  "Sc", "Ti", "V", "Cr", "Mn", "Fe", "Co", "Ni", "Cu", "Zn", "Ga", "Ge", "As",
+  "Se", "Br", "Kr", "Rb", "Sr", "Y", "Zr", "Nb", "Mo", "Tc", "Ru", "Rh", "Pd",
+  "Ag", "Cd", "In", "Sn", "Sb", "Te", "I", "Xe", "Cs", "Ba", "La", "Ce", "Pr",
+  "Nd", "Pm", "Sm", "Eu", "Gd", "Tb", "Dy", "Ho", "Er", "Tm", "Yb", "Lu", "Hf",
+  "Ta", "W", "Re", "Os", "Ir", "Pt", "Au", "Hg", "Tl", "Pb", "Bi", "Po", "At",
+  "Rn", "Fr", "Ra", "Ac", "Th", "Pa", "U", "Np", "Pu", "Am", "Cm", "Bk", "Cf",
+  "Es", "Fm", "Md", "No", "Lr", "Rf", "Db", "Sg", "Bh", "Hs", "Mt", "Ds", "Rg",
+  "Cn", "Nh", "Fl", "Mc", "Lv", "Ts", "Og"};
+
+constexpr int MAX_Z =
+  static_cast<int>(sizeof(ATOMIC_SYMBOL) / sizeof(ATOMIC_SYMBOL[0])) - 1;
+
+bool is_integer_string(const std::string& s)
+{
+  if (s.empty())
+    return false;
+  size_t i = 0;
+  if (s[0] == '-' || s[0] == '+') {
+    if (s.size() == 1)
+      return false;
+    i = 1;
+  }
+  for (; i < s.size(); ++i) {
+    if (!std::isdigit(static_cast<unsigned char>(s[i])))
+      return false;
+  }
+  return true;
+}
+
+int atomic_number_from_symbol(std::string_view symbol)
+{
+  for (int z = 1; z <= MAX_Z; ++z) {
+    if (symbol == ATOMIC_SYMBOL[z]) {
+      return z;
+    }
+  }
+  return 0;
+}
+
+bool parse_gnds_nuclide(std::string_view name, int& Z, int& A, int& m)
+{
+  if (name.empty())
+    return false;
+
+  size_t pos = 0;
+  if (!std::isupper(static_cast<unsigned char>(name[pos])))
+    return false;
+
+  std::string symbol;
+  symbol += name[pos++];
+  if (pos < name.size() &&
+      std::islower(static_cast<unsigned char>(name[pos]))) {
+    symbol += name[pos++];
+  }
+
+  if (pos >= name.size() ||
+      !std::isdigit(static_cast<unsigned char>(name[pos]))) {
+    return false;
+  }
+
+  size_t a_start = pos;
+  while (
+    pos < name.size() && std::isdigit(static_cast<unsigned char>(name[pos]))) {
+    ++pos;
+  }
+  A = std::stoi(std::string {name.substr(a_start, pos - a_start)});
+  if (A <= 0 || A > 999)
+    return false;
+
+  m = 0;
+  if (pos < name.size()) {
+    if (name[pos] != '_' || pos + 2 >= name.size() || name[pos + 1] != 'm') {
+      return false;
+    }
+    pos += 2;
+    size_t m_start = pos;
+    while (pos < name.size() &&
+           std::isdigit(static_cast<unsigned char>(name[pos]))) {
+      ++pos;
+    }
+    if (m_start == pos)
+      return false;
+    m = std::stoi(std::string {name.substr(m_start, pos - m_start)});
+    if (m < 0 || m > 9)
+      return false;
+  }
+
+  if (pos != name.size())
+    return false;
+
+  Z = atomic_number_from_symbol(symbol);
+  return Z != 0;
+}
+
+// Helper to convert nuclear PDG number to nuclide name
+std::string nuclide_name_from_pdg(int32_t pdg)
+{
+  int32_t code = pdg;
+  int m = code % 10;
+  int A = (code / 10) % 1000;
+  int Z = (code / 10000) % 1000;
+
+  if (Z <= 0 || Z > MAX_Z || A <= 0 || A > 999) {
+    throw std::invalid_argument {
+      "Invalid nuclear PDG number: " + std::to_string(pdg)};
+  }
+
+  std::string name = ATOMIC_SYMBOL[Z] + std::to_string(A);
+  if (m > 0) {
+    name += "_m" + std::to_string(m);
+  }
+  return name;
+}
+
+} // namespace
+
+//==============================================================================
+// ParticleType member function implementations
+//==============================================================================
+
+ParticleType::ParticleType(std::string_view str)
+{
+  std::string s {str};
+  strtrim(s);
+  if (s.empty()) {
+    throw std::invalid_argument {"Particle string is empty."};
+  }
+
+  std::string lower = s;
+  to_lower(lower);
+
+  // Check for pdg: prefix
+  if (starts_with(lower, "pdg:")) {
+    std::string value_str = lower.substr(4);
+    if (!is_integer_string(value_str)) {
+      throw std::invalid_argument {"Invalid PDG number: " + value_str};
+    }
+    pdg_number_ = std::stoi(value_str);
+    return;
+  }
+
+  // Check for known particle names
+  if (lower == "neutron" || lower == "n") {
+    pdg_number_ = PDG_NEUTRON;
+    return;
+  }
+  if (lower == "photon" || lower == "gamma") {
+    pdg_number_ = PDG_PHOTON;
+    return;
+  }
+  if (lower == "electron") {
+    pdg_number_ = PDG_ELECTRON;
+    return;
+  }
+  if (lower == "positron") {
+    pdg_number_ = PDG_POSITRON;
+    return;
+  }
+  if (lower == "proton" || lower == "p" || lower == "h1") {
+    pdg_number_ = PDG_PROTON;
+    return;
+  }
+  if (lower == "deuteron" || lower == "d" || lower == "h2") {
+    pdg_number_ = PDG_DEUTERON;
+    return;
+  }
+  if (lower == "triton" || lower == "t" || lower == "h3") {
+    pdg_number_ = PDG_TRITON;
+    return;
+  }
+  if (lower == "alpha" || lower == "he4") {
+    pdg_number_ = PDG_ALPHA;
+    return;
+  }
+
+  // Check for integer string
+  if (is_integer_string(s)) {
+    pdg_number_ = std::stoi(s);
+    return;
+  }
+
+  // Try to parse as GNDS nuclide name
+  int Z = 0;
+  int A = 0;
+  int m = 0;
+  if (!parse_gnds_nuclide(s, Z, A, m)) {
+    throw std::invalid_argument {"Invalid nuclide name: " + s};
+  }
+  pdg_number_ = 1000000000 + Z * 10000 + A * 10 + m;
+}
+
+std::string ParticleType::str() const
+{
+  if (pdg_number_ == PDG_NEUTRON)
+    return "neutron";
+  if (pdg_number_ == PDG_PHOTON)
+    return "photon";
+  if (pdg_number_ == PDG_ELECTRON)
+    return "electron";
+  if (pdg_number_ == PDG_POSITRON)
+    return "positron";
+  if (pdg_number_ == PDG_PROTON)
+    return "proton";
+
+  if (is_nucleus()) {
+    return nuclide_name_from_pdg(pdg_number_);
+  }
+
+  return "pdg:" + std::to_string(pdg_number_);
+}
+
+//==============================================================================
+// Free function implementations
+//==============================================================================
+
+ParticleType legacy_particle_index_to_type(int index)
+{
+  switch (index) {
+  case 0:
+    return ParticleType {PDG_NEUTRON};
+  case 1:
+    return ParticleType {PDG_PHOTON};
+  case 2:
+    return ParticleType {PDG_ELECTRON};
+  case 3:
+    return ParticleType {PDG_POSITRON};
+  default:
+    throw std::invalid_argument {
+      "Invalid legacy particle index: " + std::to_string(index)};
+  }
+}
+
+} // namespace openmc
diff --git a/src/photon.cpp b/src/photon.cpp
index 4926e3eae..951acb9fb 100644
--- a/src/photon.cpp
+++ b/src/photon.cpp
@@ -293,7 +293,7 @@ PhotonInteraction::PhotonInteraction(hid_t group)
     close_group(rgroup);
 
     // Truncate the bremsstrahlung data at the cutoff energy
-    int photon = static_cast<int>(ParticleType::photon);
+    int photon = ParticleType::photon().transport_index();
     const auto& E {electron_energy};
     double cutoff = settings::energy_cutoff[photon];
     if (cutoff > E(0)) {
@@ -805,7 +805,7 @@ void PhotonInteraction::atomic_relaxation(int i_shell, Particle& p) const
     if (shell.transitions.empty()) {
       Direction u = isotropic_direction(p.current_seed());
       double E = shell.binding_energy;
-      p.create_secondary(p.wgt(), u, E, ParticleType::photon);
+      p.create_secondary(p.wgt(), u, E, ParticleType::photon());
       continue;
     }
 
@@ -833,12 +833,13 @@ void PhotonInteraction::atomic_relaxation(int i_shell, Particle& p) const
       holes[n_holes++] = transition.secondary_subshell;
 
       // Create auger electron
-      p.create_secondary(p.wgt(), u, transition.energy, ParticleType::electron);
+      p.create_secondary(
+        p.wgt(), u, transition.energy, ParticleType::electron());
     } else {
       // Radiative transition -- get X-ray energy
 
       // Create fluorescent photon
-      p.create_secondary(p.wgt(), u, transition.energy, ParticleType::photon);
+      p.create_secondary(p.wgt(), u, transition.energy, ParticleType::photon());
     }
   }
 }
diff --git a/src/physics.cpp b/src/physics.cpp
index 41509af97..05a9e59d9 100644
--- a/src/physics.cpp
+++ b/src/physics.cpp
@@ -46,27 +46,29 @@ void collision(Particle& p)
   ++(p.n_collision());
 
   // Sample reaction for the material the particle is in
-  switch (p.type()) {
-  case ParticleType::neutron:
+  switch (p.type().pdg_number()) {
+  case PDG_NEUTRON:
     sample_neutron_reaction(p);
     break;
-  case ParticleType::photon:
+  case PDG_PHOTON:
     sample_photon_reaction(p);
     break;
-  case ParticleType::electron:
+  case PDG_ELECTRON:
     sample_electron_reaction(p);
     break;
-  case ParticleType::positron:
+  case PDG_POSITRON:
     sample_positron_reaction(p);
     break;
+  default:
+    fatal_error("Unsupported particle PDG for collision sampling.");
   }
 
   if (settings::weight_window_checkpoint_collision)
     apply_weight_windows(p);
 
   // Kill particle if energy falls below cutoff
-  int type = static_cast<int>(p.type());
-  if (p.E() < settings::energy_cutoff[type]) {
+  int type = p.type().transport_index();
+  if (type != C_NONE && p.E() < settings::energy_cutoff[type]) {
     p.wgt() = 0.0;
   }
 
@@ -75,11 +77,11 @@ void collision(Particle& p)
     std::string msg;
     if (p.event() == TallyEvent::KILL) {
       msg = fmt::format("    Killed. Energy = {} eV.", p.E());
-    } else if (p.type() == ParticleType::neutron) {
+    } else if (p.type().is_neutron()) {
       msg = fmt::format("    {} with {}. Energy = {} eV.",
         reaction_name(p.event_mt()), data::nuclides[p.event_nuclide()]->name_,
         p.E());
-    } else if (p.type() == ParticleType::photon) {
+    } else if (p.type().is_photon()) {
       msg = fmt::format("    {} with {}. Energy = {} eV.",
         reaction_name(p.event_mt()),
         to_element(data::nuclides[p.event_nuclide()]->name_), p.E());
@@ -208,7 +210,7 @@ void create_fission_sites(Particle& p, int i_nuclide, const Reaction& rx)
     // Initialize fission site object with particle data
     SourceSite site;
     site.r = p.r();
-    site.particle = ParticleType::neutron;
+    site.particle = ParticleType::neutron();
     site.time = p.time();
     site.wgt = 1. / weight;
     site.surf_id = 0;
@@ -218,7 +220,7 @@ void create_fission_sites(Particle& p, int i_nuclide, const Reaction& rx)
 
     // Reject site if it exceeds time cutoff
     if (site.delayed_group > 0) {
-      double t_cutoff = settings::time_cutoff[static_cast<int>(site.particle)];
+      double t_cutoff = settings::time_cutoff[site.particle.transport_index()];
       if (site.time > t_cutoff) {
         continue;
       }
@@ -289,7 +291,7 @@ void sample_photon_reaction(Particle& p)
   // Kill photon if below energy cutoff -- an extra check is made here because
   // photons with energy below the cutoff may have been produced by neutrons
   // reactions or atomic relaxation
-  int photon = static_cast<int>(ParticleType::photon);
+  int photon = ParticleType::photon().transport_index();
   if (p.E() < settings::energy_cutoff[photon]) {
     p.E() = 0.0;
     p.wgt() = 0.0;
@@ -339,13 +341,13 @@ void sample_photon_reaction(Particle& p)
     // Create Compton electron
     double phi = uniform_distribution(0., 2.0 * PI, p.current_seed());
     double E_electron = (alpha - alpha_out) * MASS_ELECTRON_EV - e_b;
-    int electron = static_cast<int>(ParticleType::electron);
+    int electron = ParticleType::electron().transport_index();
     if (E_electron >= settings::energy_cutoff[electron]) {
       double mu_electron = (alpha - alpha_out * p.mu()) /
                            std::sqrt(alpha * alpha + alpha_out * alpha_out -
                                      2.0 * alpha * alpha_out * p.mu());
       Direction u = rotate_angle(p.u(), mu_electron, &phi, p.current_seed());
-      p.create_secondary(p.wgt(), u, E_electron, ParticleType::electron);
+      p.create_secondary(p.wgt(), u, E_electron, ParticleType::electron());
     }
 
     // Allow electrons to fill orbital and produce Auger electrons and
@@ -418,7 +420,7 @@ void sample_photon_reaction(Particle& p)
         u.z = std::sqrt(1.0 - mu * mu) * std::sin(phi);
 
         // Create secondary electron
-        p.create_secondary(p.wgt(), u, E_electron, ParticleType::electron);
+        p.create_secondary(p.wgt(), u, E_electron, ParticleType::electron());
 
         // Allow electrons to fill orbital and produce auger electrons
         // and fluorescent photons
@@ -443,12 +445,11 @@ void sample_photon_reaction(Particle& p)
 
     // Create secondary electron
     Direction u = rotate_angle(p.u(), mu_electron, nullptr, p.current_seed());
-    p.create_secondary(p.wgt(), u, E_electron, ParticleType::electron);
+    p.create_secondary(p.wgt(), u, E_electron, ParticleType::electron());
 
     // Create secondary positron
     u = rotate_angle(p.u(), mu_positron, nullptr, p.current_seed());
-    p.create_secondary(p.wgt(), u, E_positron, ParticleType::positron);
-
+    p.create_secondary(p.wgt(), u, E_positron, ParticleType::positron());
     p.event() = TallyEvent::ABSORB;
     p.event_mt() = PAIR_PROD;
     p.wgt() = 0.0;
@@ -483,8 +484,8 @@ void sample_positron_reaction(Particle& p)
   Direction u = isotropic_direction(p.current_seed());
 
   // Create annihilation photon pair traveling in opposite directions
-  p.create_secondary(p.wgt(), u, MASS_ELECTRON_EV, ParticleType::photon);
-  p.create_secondary(p.wgt(), -u, MASS_ELECTRON_EV, ParticleType::photon);
+  p.create_secondary(p.wgt(), u, MASS_ELECTRON_EV, ParticleType::photon());
+  p.create_secondary(p.wgt(), -u, MASS_ELECTRON_EV, ParticleType::photon());
 
   p.E() = 0.0;
   p.wgt() = 0.0;
@@ -609,7 +610,7 @@ void sample_photon_product(
       continue;
 
     for (int j = 0; j < rx->products_.size(); ++j) {
-      if (rx->products_[j].particle_ == ParticleType::photon) {
+      if (rx->products_[j].particle_.is_photon()) {
         // For fission, artificially increase the photon yield to account
         // for delayed photons
         double f = 1.0;
@@ -1098,7 +1099,7 @@ void sample_fission_neutron(
     rx.products_[site->delayed_group].sample(E_in, site->E, mu, seed);
 
     // resample if energy is greater than maximum neutron energy
-    constexpr int neutron = static_cast<int>(ParticleType::neutron);
+    int neutron = ParticleType::neutron().transport_index();
     if (site->E < data::energy_max[neutron])
       break;
 
@@ -1158,7 +1159,7 @@ void inelastic_scatter(const Nuclide& nuc, const Reaction& rx, Particle& p)
   if (std::floor(yield) == yield && yield > 0) {
     // If yield is integral, create exactly that many secondary particles
     for (int i = 0; i < static_cast<int>(std::round(yield)) - 1; ++i) {
-      p.create_secondary(p.wgt(), p.u(), p.E(), ParticleType::neutron);
+      p.create_secondary(p.wgt(), p.u(), p.E(), ParticleType::neutron());
     }
   } else {
     // Otherwise, change weight of particle based on yield
@@ -1214,7 +1215,7 @@ void sample_secondary_photons(Particle& p, int i_nuclide)
     }
 
     // Create the secondary photon
-    bool created_photon = p.create_secondary(wgt, u, E, ParticleType::photon);
+    bool created_photon = p.create_secondary(wgt, u, E, ParticleType::photon());
 
     // Tag secondary particle with parent nuclide
     if (created_photon && settings::use_decay_photons) {
diff --git a/src/physics_mg.cpp b/src/physics_mg.cpp
index 4c28cb179..866d4d728 100644
--- a/src/physics_mg.cpp
+++ b/src/physics_mg.cpp
@@ -136,7 +136,7 @@ void create_fission_sites(Particle& p)
     // Initialize fission site object with particle data
     SourceSite site;
     site.r = p.r();
-    site.particle = ParticleType::neutron;
+    site.particle = ParticleType::neutron();
     site.time = p.time();
     site.wgt = 1. / weight;
 
@@ -171,7 +171,7 @@ void create_fission_sites(Particle& p)
       site.time -= std::log(prn(p.current_seed())) / decay_rate;
 
       // Reject site if it exceeds time cutoff
-      double t_cutoff = settings::time_cutoff[static_cast<int>(site.particle)];
+      double t_cutoff = settings::time_cutoff[site.particle.transport_index()];
       if (site.time > t_cutoff) {
         continue;
       }
diff --git a/src/reaction.cpp b/src/reaction.cpp
index d96790c6d..9ac5a1f52 100644
--- a/src/reaction.cpp
+++ b/src/reaction.cpp
@@ -70,9 +70,8 @@ Reaction::Reaction(
 
   if (settings::use_decay_photons) {
     // Remove photon products for D1S method
-    products_.erase(
-      std::remove_if(products_.begin(), products_.end(),
-        [](const auto& p) { return p.particle_ == ParticleType::photon; }),
+    products_.erase(std::remove_if(products_.begin(), products_.end(),
+                      [](const auto& p) { return p.particle_.is_photon(); }),
       products_.end());
 
     // Determine product for D1S method
diff --git a/src/reaction_product.cpp b/src/reaction_product.cpp
index 3ba2c0cfb..ee560d607 100644
--- a/src/reaction_product.cpp
+++ b/src/reaction_product.cpp
@@ -26,7 +26,7 @@ ReactionProduct::ReactionProduct(hid_t group)
   // Read particle type
   std::string temp;
   read_attribute(group, "particle", temp);
-  particle_ = str_to_particle_type(temp);
+  particle_ = ParticleType {temp};
 
   // Read emission mode and decay rate
   read_attribute(group, "emission_mode", temp);
@@ -42,7 +42,7 @@ ReactionProduct::ReactionProduct(hid_t group)
   if (emission_mode_ == EmissionMode::delayed) {
     if (attribute_exists(group, "decay_rate")) {
       read_attribute(group, "decay_rate", decay_rate_);
-    } else if (particle_ == ParticleType::neutron) {
+    } else if (particle_.is_neutron()) {
       warning(fmt::format("Decay rate doesn't exist for delayed neutron "
                           "emission ({}).",
         object_name(group)));
@@ -85,7 +85,7 @@ ReactionProduct::ReactionProduct(hid_t group)
 
 ReactionProduct::ReactionProduct(const ChainNuclide::Product& product)
 {
-  particle_ = ParticleType::photon;
+  particle_ = ParticleType::photon();
   emission_mode_ = EmissionMode::delayed;
 
   // Get chain nuclide object for radionuclide
diff --git a/src/simulation.cpp b/src/simulation.cpp
index b536ae588..18e40a8bc 100644
--- a/src/simulation.cpp
+++ b/src/simulation.cpp
@@ -687,7 +687,7 @@ void initialize_data()
 
   for (const auto& nuc : data::nuclides) {
     if (nuc->grid_.size() >= 1) {
-      int neutron = static_cast<int>(ParticleType::neutron);
+      int neutron = ParticleType::neutron().transport_index();
       data::energy_min[neutron] =
         std::max(data::energy_min[neutron], nuc->grid_[0].energy.front());
       data::energy_max[neutron] =
@@ -698,7 +698,7 @@ void initialize_data()
   if (settings::photon_transport) {
     for (const auto& elem : data::elements) {
       if (elem->energy_.size() >= 1) {
-        int photon = static_cast<int>(ParticleType::photon);
+        int photon = ParticleType::photon().transport_index();
         int n = elem->energy_.size();
         data::energy_min[photon] =
           std::max(data::energy_min[photon], std::exp(elem->energy_(1)));
@@ -711,9 +711,9 @@ void initialize_data()
       // Determine if minimum/maximum energy for bremsstrahlung is greater/less
       // than the current minimum/maximum
       if (data::ttb_e_grid.size() >= 1) {
-        int photon = static_cast<int>(ParticleType::photon);
-        int electron = static_cast<int>(ParticleType::electron);
-        int positron = static_cast<int>(ParticleType::positron);
+        int photon = ParticleType::photon().transport_index();
+        int electron = ParticleType::electron().transport_index();
+        int positron = ParticleType::positron().transport_index();
         int n_e = data::ttb_e_grid.size();
 
         const std::vector<int> charged = {electron, positron};
@@ -737,7 +737,7 @@ void initialize_data()
     // grid has not been allocated
     if (nuc->grid_.size() > 0) {
       double max_E = nuc->grid_[0].energy.back();
-      int neutron = static_cast<int>(ParticleType::neutron);
+      int neutron = ParticleType::neutron().transport_index();
       if (max_E == data::energy_max[neutron]) {
         write_message(7, "Maximum neutron transport energy: {} eV for {}",
           data::energy_max[neutron], nuc->name_);
@@ -754,7 +754,7 @@ void initialize_data()
   for (auto& nuc : data::nuclides) {
     nuc->init_grid();
   }
-  int neutron = static_cast<int>(ParticleType::neutron);
+  int neutron = ParticleType::neutron().transport_index();
   simulation::log_spacing =
     std::log(data::energy_max[neutron] / data::energy_min[neutron]) /
     settings::n_log_bins;
diff --git a/src/source.cpp b/src/source.cpp
index b30b964d3..8bd9c7893 100644
--- a/src/source.cpp
+++ b/src/source.cpp
@@ -37,6 +37,20 @@
 
 namespace openmc {
 
+namespace {
+
+void validate_particle_type(ParticleType type, const std::string& context)
+{
+  if (type.is_transportable())
+    return;
+
+  fatal_error(
+    fmt::format("Unsupported source particle type '{}' (PDG {}) in {}.",
+      type.str(), type.pdg_number(), context));
+}
+
+} // namespace
+
 //==============================================================================
 // Global variables
 //==============================================================================
@@ -284,22 +298,15 @@ IndependentSource::IndependentSource(pugi::xml_node node) : Source(node)
 {
   // Check for particle type
   if (check_for_node(node, "particle")) {
-    auto temp_str = get_node_value(node, "particle", true, true);
-    if (temp_str == "neutron") {
-      particle_ = ParticleType::neutron;
-    } else if (temp_str == "photon") {
-      particle_ = ParticleType::photon;
+    auto temp_str = get_node_value(node, "particle", false, true);
+    particle_ = ParticleType(temp_str);
+    if (particle_ == ParticleType::photon() ||
+        particle_ == ParticleType::electron() ||
+        particle_ == ParticleType::positron()) {
       settings::photon_transport = true;
-    } else if (temp_str == "electron") {
-      particle_ = ParticleType::electron;
-      settings::photon_transport = true;
-    } else if (temp_str == "positron") {
-      particle_ = ParticleType::positron;
-      settings::photon_transport = true;
-    } else {
-      fatal_error(std::string("Unknown source particle type: ") + temp_str);
     }
   }
+  validate_particle_type(particle_, "IndependentSource");
 
   // Check for external source file
   if (check_for_node(node, "file")) {
@@ -390,7 +397,7 @@ SourceSite IndependentSource::sample(uint64_t* seed) const
   // Sample energy and time for neutron and photon sources
   if (settings::solver_type != SolverType::RANDOM_RAY) {
     // Check for monoenergetic source above maximum particle energy
-    auto p = static_cast<int>(particle_);
+    auto p = particle_.transport_index();
     auto energy_ptr = dynamic_cast<Discrete*>(energy_.get());
     if (energy_ptr) {
       auto energies = xt::adapt(energy_ptr->x());
@@ -472,6 +479,11 @@ void FileSource::load_sites_from_file(const std::string& path)
     // Close file
     file_close(file_id);
   }
+
+  // Make sure particles in source file have valid types
+  for (const auto& site : this->sites_) {
+    validate_particle_type(site.particle, "FileSource");
+  }
 }
 
 SourceSite FileSource::sample(uint64_t* seed) const
@@ -585,6 +597,11 @@ MeshSource::MeshSource(pugi::xml_node node) : Source(node)
       std::make_unique<MeshElementSpatial>(mesh_idx, elem_index));
   }
 
+  // Make sure sources use valid particle types
+  for (const auto& src : sources_) {
+    validate_particle_type(src->particle_type(), "MeshSource");
+  }
+
   // the number of source distributions should either be one or equal to the
   // number of mesh elements
   if (sources_.size() > 1 && sources_.size() != mesh->n_bins()) {
diff --git a/src/state_point.cpp b/src/state_point.cpp
index 8ccebeb05..455299529 100644
--- a/src/state_point.cpp
+++ b/src/state_point.cpp
@@ -22,6 +22,7 @@
 #include "openmc/mgxs_interface.h"
 #include "openmc/nuclide.h"
 #include "openmc/output.h"
+#include "openmc/particle_type.h"
 #include "openmc/settings.h"
 #include "openmc/simulation.h"
 #include "openmc/tallies/derivative.h"
@@ -632,6 +633,7 @@ void write_h5_source_point(const char* filename, span<SourceSite> source_bank,
   if (mpi::master || parallel) {
     file_id = file_open(filename_.c_str(), 'w', true);
     write_attribute(file_id, "filetype", "source");
+    write_attribute(file_id, "version", VERSION_STATEPOINT);
   }
 
   // Get pointer to source bank and write to file
@@ -677,6 +679,16 @@ std::string dtype_member_names(hid_t dtype_id)
 void read_source_bank(
   hid_t group_id, vector<SourceSite>& sites, bool distribute)
 {
+  bool legacy_particle_codes = true;
+  if (attribute_exists(group_id, "version")) {
+    array<int, 2> version;
+    read_attribute(group_id, "version", version);
+    if (version[0] > VERSION_STATEPOINT[0] ||
+        (version[0] == VERSION_STATEPOINT[0] && version[1] >= 2)) {
+      legacy_particle_codes = false;
+    }
+  }
+
   hid_t banktype = h5banktype(true);
 
   // Open the dataset
@@ -738,6 +750,12 @@ void read_source_bank(
     H5Sclose(memspace);
   H5Dclose(dset);
   H5Tclose(banktype);
+
+  if (legacy_particle_codes) {
+    for (auto& site : sites) {
+      site.particle = legacy_particle_index_to_type(site.particle.pdg_number());
+    }
+  }
 }
 
 void write_unstructured_mesh_results()
diff --git a/src/tallies/filter_particle.cpp b/src/tallies/filter_particle.cpp
index eef1d1e63..031068f3a 100644
--- a/src/tallies/filter_particle.cpp
+++ b/src/tallies/filter_particle.cpp
@@ -13,7 +13,7 @@ void ParticleFilter::from_xml(pugi::xml_node node)
   // Convert to vector of ParticleType
   vector<ParticleType> types;
   for (auto& p : particles) {
-    types.push_back(str_to_particle_type(p));
+    types.emplace_back(p);
   }
   this->set_particles(types);
 }
@@ -47,7 +47,7 @@ void ParticleFilter::to_statepoint(hid_t filter_group) const
   Filter::to_statepoint(filter_group);
   vector<std::string> particles;
   for (auto p : particles_) {
-    particles.push_back(particle_type_to_str(p));
+    particles.push_back(p.str());
   }
   write_dataset(filter_group, "bins", particles);
 }
@@ -55,10 +55,10 @@ void ParticleFilter::to_statepoint(hid_t filter_group) const
 std::string ParticleFilter::text_label(int bin) const
 {
   const auto& p = particles_.at(bin);
-  return fmt::format("Particle: {}", particle_type_to_str(p));
+  return fmt::format("Particle: {}", p.str());
 }
 
-extern "C" int openmc_particle_filter_get_bins(int32_t idx, int bins[])
+extern "C" int openmc_particle_filter_get_bins(int32_t idx, int32_t bins[])
 {
   if (int err = verify_filter(idx))
     return err;
@@ -68,7 +68,7 @@ extern "C" int openmc_particle_filter_get_bins(int32_t idx, int bins[])
   if (pf) {
     const auto& particles = pf->particles();
     for (int i = 0; i < particles.size(); i++) {
-      bins[i] = static_cast<int>(particles[i]);
+      bins[i] = particles[i].pdg_number();
     }
   } else {
     set_errmsg("The filter at the specified index is not a ParticleFilter");
diff --git a/src/tallies/tally.cpp b/src/tallies/tally.cpp
index 6eef1da9c..2432f5c2f 100644
--- a/src/tallies/tally.cpp
+++ b/src/tallies/tally.cpp
@@ -289,12 +289,12 @@ Tally::Tally(pugi::xml_node node)
       const auto& f = model::tally_filters[particle_filter_index].get();
       auto pf = dynamic_cast<ParticleFilter*>(f);
       for (auto p : pf->particles()) {
-        if (p != ParticleType::neutron) {
+        if (!p.is_neutron()) {
           warning(fmt::format(
             "Particle filter other than NEUTRON used with "
             "photon transport turned off. All tallies for particle type {}"
             " will have no scores",
-            static_cast<int>(p)));
+            p.str()));
         }
       }
     }
diff --git a/src/tallies/tally_scoring.cpp b/src/tallies/tally_scoring.cpp
index 67e851644..51b5d9ffc 100644
--- a/src/tallies/tally_scoring.cpp
+++ b/src/tallies/tally_scoring.cpp
@@ -328,10 +328,10 @@ double score_neutron_heating(const Particle& p, const Tally& tally, double flux,
 //! Helper function to obtain reaction Q value for photons and charged particles
 double get_reaction_q_value(const Particle& p)
 {
-  if (p.type() == ParticleType::photon && p.event_mt() == PAIR_PROD) {
+  if (p.type().is_photon() && p.event_mt() == PAIR_PROD) {
     // pair production
     return -2 * MASS_ELECTRON_EV;
-  } else if (p.type() == ParticleType::positron) {
+  } else if (p.type() == ParticleType::positron()) {
     // positron annihilation
     return 2 * MASS_ELECTRON_EV;
   } else {
@@ -344,7 +344,7 @@ double get_reaction_q_value(const Particle& p)
 double score_particle_heating(const Particle& p, const Tally& tally,
   double flux, int rxn_bin, int i_nuclide, double atom_density)
 {
-  if (p.type() == ParticleType::neutron)
+  if (p.type().is_neutron())
     return score_neutron_heating(
       p, tally, flux, rxn_bin, i_nuclide, atom_density);
   if (i_nuclide == -1 || i_nuclide == p.event_nuclide() ||
@@ -584,8 +584,6 @@ void score_general_ce_nonanalog(Particle& p, int i_tally, int start_index,
   // Get the pre-collision energy of the particle.
   auto E = p.E_last();
 
-  using Type = ParticleType;
-
   for (auto i = 0; i < tally.scores_.size(); ++i) {
     auto score_bin = tally.scores_[i];
     auto score_index = start_index + i;
@@ -598,9 +596,9 @@ void score_general_ce_nonanalog(Particle& p, int i_tally, int start_index,
 
     case SCORE_TOTAL:
       if (i_nuclide >= 0) {
-        if (p.type() == Type::neutron) {
+        if (p.type().is_neutron()) {
           score = p.neutron_xs(i_nuclide).total * atom_density * flux;
-        } else if (p.type() == Type::photon) {
+        } else if (p.type().is_photon()) {
           score = p.photon_xs(i_nuclide).total * atom_density * flux;
         }
       } else {
@@ -609,7 +607,7 @@ void score_general_ce_nonanalog(Particle& p, int i_tally, int start_index,
       break;
 
     case SCORE_INVERSE_VELOCITY:
-      if (p.type() != Type::neutron)
+      if (!p.type().is_neutron())
         continue;
 
       // Score inverse velocity in units of s/cm.
@@ -617,11 +615,11 @@ void score_general_ce_nonanalog(Particle& p, int i_tally, int start_index,
       break;
 
     case SCORE_SCATTER:
-      if (p.type() != Type::neutron && p.type() != Type::photon)
+      if (!p.type().is_neutron() && !p.type().is_photon())
         continue;
 
       if (i_nuclide >= 0) {
-        if (p.type() == Type::neutron) {
+        if (p.type().is_neutron()) {
           const auto& micro = p.neutron_xs(i_nuclide);
           score = (micro.total - micro.absorption) * atom_density * flux;
         } else {
@@ -629,7 +627,7 @@ void score_general_ce_nonanalog(Particle& p, int i_tally, int start_index,
           score = (micro.coherent + micro.incoherent) * atom_density * flux;
         }
       } else {
-        if (p.type() == Type::neutron) {
+        if (p.type().is_neutron()) {
           score = (p.macro_xs().total - p.macro_xs().absorption) * flux;
         } else {
           score = (p.macro_xs().coherent + p.macro_xs().incoherent) * flux;
@@ -638,11 +636,11 @@ void score_general_ce_nonanalog(Particle& p, int i_tally, int start_index,
       break;
 
     case SCORE_ABSORPTION:
-      if (p.type() != Type::neutron && p.type() != Type::photon)
+      if (!p.type().is_neutron() && !p.type().is_photon())
         continue;
 
       if (i_nuclide >= 0) {
-        if (p.type() == Type::neutron) {
+        if (p.type().is_neutron()) {
           score = p.neutron_xs(i_nuclide).absorption * atom_density * flux;
         } else {
           const auto& xs = p.photon_xs(i_nuclide);
@@ -650,7 +648,7 @@ void score_general_ce_nonanalog(Particle& p, int i_tally, int start_index,
             (xs.total - xs.coherent - xs.incoherent) * atom_density * flux;
         }
       } else {
-        if (p.type() == Type::neutron) {
+        if (p.type().is_neutron()) {
           score = p.macro_xs().absorption * flux;
         } else {
           score =
@@ -806,7 +804,7 @@ void score_general_ce_nonanalog(Particle& p, int i_tally, int start_index,
           // this loop.
           for (auto d = 1; d < rxn.products_.size(); ++d) {
             const auto& product = rxn.products_[d];
-            if (product.particle_ != Type::neutron)
+            if (!product.particle_.is_neutron())
               continue;
 
             auto yield = nuc.nu(E, ReactionProduct::EmissionMode::delayed, d);
@@ -860,7 +858,7 @@ void score_general_ce_nonanalog(Particle& p, int i_tally, int start_index,
                 // this loop.
                 for (auto d = 1; d < rxn.products_.size(); ++d) {
                   const auto& product = rxn.products_[d];
-                  if (product.particle_ != Type::neutron)
+                  if (!product.particle_.is_neutron())
                     continue;
 
                   auto yield =
@@ -911,7 +909,7 @@ void score_general_ce_nonanalog(Particle& p, int i_tally, int start_index,
       continue;
 
     case ELASTIC:
-      if (p.type() != Type::neutron)
+      if (!p.type().is_neutron())
         continue;
 
       if (i_nuclide >= 0) {
@@ -943,7 +941,7 @@ void score_general_ce_nonanalog(Particle& p, int i_tally, int start_index,
 
     case SCORE_IFP_TIME_NUM:
       if (settings::ifp_on) {
-        if ((p.type() == Type::neutron) && (p.fission())) {
+        if (p.type().is_neutron() && p.fission()) {
           if (is_generation_time_or_both()) {
             const auto& lifetimes =
               simulation::ifp_source_lifetime_bank[p.current_work() - 1];
@@ -957,7 +955,7 @@ void score_general_ce_nonanalog(Particle& p, int i_tally, int start_index,
 
     case SCORE_IFP_BETA_NUM:
       if (settings::ifp_on) {
-        if ((p.type() == Type::neutron) && (p.fission())) {
+        if (p.type().is_neutron() && p.fission()) {
           if (is_beta_effective_or_both()) {
             const auto& delayed_groups =
               simulation::ifp_source_delayed_group_bank[p.current_work() - 1];
@@ -982,7 +980,7 @@ void score_general_ce_nonanalog(Particle& p, int i_tally, int start_index,
 
     case SCORE_IFP_DENOM:
       if (settings::ifp_on) {
-        if ((p.type() == Type::neutron) && (p.fission())) {
+        if (p.type().is_neutron() && p.fission()) {
           int ifp_data_size;
           if (is_beta_effective_or_both()) {
             ifp_data_size = static_cast<int>(
@@ -1012,7 +1010,7 @@ void score_general_ce_nonanalog(Particle& p, int i_tally, int start_index,
       if (!simulation::need_depletion_rx)
         goto default_case;
 
-      if (p.type() != Type::neutron)
+      if (!p.type().is_neutron())
         continue;
 
       int m;
@@ -1045,7 +1043,7 @@ void score_general_ce_nonanalog(Particle& p, int i_tally, int start_index,
     case INCOHERENT:
     case PHOTOELECTRIC:
     case PAIR_PROD:
-      if (p.type() != Type::photon)
+      if (!p.type().is_photon())
         continue;
 
       if (i_nuclide >= 0) {
@@ -1075,7 +1073,7 @@ void score_general_ce_nonanalog(Particle& p, int i_tally, int start_index,
 
       // The default block is really only meant for redundant neutron reactions
       // (e.g. 444, 901)
-      if (p.type() != Type::neutron)
+      if (!p.type().is_neutron())
         continue;
 
       // Any other cross section has to be calculated on-the-fly
@@ -1129,8 +1127,6 @@ void score_general_ce_analog(Particle& p, int i_tally, int start_index,
                             p.neutron_xs(p.event_nuclide()).total
                         : 0.0;
 
-  using Type = ParticleType;
-
   for (auto i = 0; i < tally.scores_.size(); ++i) {
     auto score_bin = tally.scores_[i];
     auto score_index = start_index + i;
@@ -1141,7 +1137,7 @@ void score_general_ce_analog(Particle& p, int i_tally, int start_index,
       // All events score to a flux bin. We actually use a collision estimator
       // in place of an analog one since there is no way to count 'events'
       // exactly for the flux
-      if (p.type() == Type::neutron || p.type() == Type::photon) {
+      if (p.type().is_neutron() || p.type().is_photon()) {
         score = flux * p.wgt_last() / p.macro_xs().total;
       } else {
         score = 0.;
@@ -1155,7 +1151,7 @@ void score_general_ce_analog(Particle& p, int i_tally, int start_index,
       break;
 
     case SCORE_INVERSE_VELOCITY:
-      if (p.type() != Type::neutron)
+      if (!p.type().is_neutron())
         continue;
 
       // All events score to an inverse velocity bin. We actually use a
@@ -1165,7 +1161,7 @@ void score_general_ce_analog(Particle& p, int i_tally, int start_index,
       break;
 
     case SCORE_SCATTER:
-      if (p.type() != Type::neutron && p.type() != Type::photon)
+      if (!p.type().is_neutron() && !p.type().is_photon())
         continue;
 
       // Skip any event where the particle didn't scatter
@@ -1177,7 +1173,7 @@ void score_general_ce_analog(Particle& p, int i_tally, int start_index,
       break;
 
     case SCORE_NU_SCATTER:
-      if (p.type() != Type::neutron)
+      if (!p.type().is_neutron())
         continue;
 
       // Only analog estimators are available.
@@ -1202,7 +1198,7 @@ void score_general_ce_analog(Particle& p, int i_tally, int start_index,
       break;
 
     case SCORE_ABSORPTION:
-      if (p.type() != Type::neutron && p.type() != Type::photon)
+      if (!p.type().is_neutron() && !p.type().is_photon())
         continue;
 
       if (settings::survival_biasing) {
@@ -1431,7 +1427,7 @@ void score_general_ce_analog(Particle& p, int i_tally, int start_index,
             // this loop.
             for (auto d = 1; d < rxn.products_.size(); ++d) {
               const auto& product = rxn.products_[d];
-              if (product.particle_ != Type::neutron)
+              if (!product.particle_.is_neutron())
                 continue;
 
               auto yield = nuc.nu(E, ReactionProduct::EmissionMode::delayed, d);
@@ -1523,7 +1519,7 @@ void score_general_ce_analog(Particle& p, int i_tally, int start_index,
       continue;
 
     case ELASTIC:
-      if (p.type() != Type::neutron)
+      if (!p.type().is_neutron())
         continue;
 
       // Check if event MT matches
@@ -1552,7 +1548,7 @@ void score_general_ce_analog(Particle& p, int i_tally, int start_index,
       if (!simulation::need_depletion_rx)
         goto default_case;
 
-      if (p.type() != Type::neutron)
+      if (!p.type().is_neutron())
         continue;
 
       // Check if the event MT matches
@@ -1565,7 +1561,7 @@ void score_general_ce_analog(Particle& p, int i_tally, int start_index,
     case INCOHERENT:
     case PHOTOELECTRIC:
     case PAIR_PROD:
-      if (p.type() != Type::photon)
+      if (!p.type().is_photon())
         continue;
 
       if (score_bin == PHOTOELECTRIC) {
@@ -1592,7 +1588,7 @@ void score_general_ce_analog(Particle& p, int i_tally, int start_index,
 
       // The default block is really only meant for redundant neutron reactions
       // (e.g. 444, 901)
-      if (p.type() != Type::neutron)
+      if (!p.type().is_neutron())
         continue;
 
       // Any other score is assumed to be a MT number. Thus, we just need
@@ -2316,10 +2312,7 @@ void score_analog_tally_ce(Particle& p)
   // Since electrons/positrons are not transported, we assign a flux of zero.
   // Note that the heating score does NOT use the flux and will be non-zero for
   // electrons/positrons.
-  double flux =
-    (p.type() == ParticleType::neutron || p.type() == ParticleType::photon)
-      ? 1.0
-      : 0.0;
+  double flux = (p.type().is_neutron() || p.type().is_photon()) ? 1.0 : 0.0;
 
   for (auto i_tally : model::active_analog_tallies) {
     const Tally& tally {*model::tallies[i_tally]};
@@ -2447,7 +2440,7 @@ void score_tracklength_tally_general(
             if (j == C_NONE) {
               // Determine log union grid index
               if (i_log_union == C_NONE) {
-                int neutron = static_cast<int>(ParticleType::neutron);
+                int neutron = ParticleType::neutron().transport_index();
                 i_log_union = std::log(p.E() / data::energy_min[neutron]) /
                               simulation::log_spacing;
               }
@@ -2544,7 +2537,7 @@ void score_collision_tally(Particle& p)
 {
   // Determine the collision estimate of the flux
   double flux = 0.0;
-  if (p.type() == ParticleType::neutron || p.type() == ParticleType::photon) {
+  if (p.type().is_neutron() || p.type().is_photon()) {
     flux = p.wgt_last() / p.macro_xs().total;
   }
 
@@ -2578,7 +2571,7 @@ void score_collision_tally(Particle& p)
           if (j == C_NONE) {
             // Determine log union grid index
             if (i_log_union == C_NONE) {
-              int neutron = static_cast<int>(ParticleType::neutron);
+              int neutron = ParticleType::neutron().transport_index();
               i_log_union = std::log(p.E() / data::energy_min[neutron]) /
                             simulation::log_spacing;
             }
diff --git a/src/track_output.cpp b/src/track_output.cpp
index f4344d50f..e86f774f0 100644
--- a/src/track_output.cpp
+++ b/src/track_output.cpp
@@ -122,7 +122,7 @@ void finalize_particle_track(Particle& p)
   int offset = 0;
   for (auto& track_i : p.tracks()) {
     offsets.push_back(offset);
-    particles.push_back(static_cast<int>(track_i.particle));
+    particles.push_back(track_i.particle.pdg_number());
     offset += track_i.states.size();
     tracks.insert(tracks.end(), track_i.states.begin(), track_i.states.end());
   }
diff --git a/src/weight_windows.cpp b/src/weight_windows.cpp
index 4838e4591..5ca4addbb 100644
--- a/src/weight_windows.cpp
+++ b/src/weight_windows.cpp
@@ -59,7 +59,7 @@ void apply_weight_windows(Particle& p)
     return;
 
   // WW on photon and neutron only
-  if (p.type() != ParticleType::neutron && p.type() != ParticleType::photon)
+  if (!p.type().is_neutron() && !p.type().is_photon())
     return;
 
   // skip dead or no energy
@@ -179,7 +179,7 @@ WeightWindows::WeightWindows(pugi::xml_node node)
 
   // get the particle type
   auto particle_type_str = std::string(get_node_value(node, "particle_type"));
-  particle_type_ = openmc::str_to_particle_type(particle_type_str);
+  particle_type_ = ParticleType {particle_type_str};
 
   // Determine associated mesh
   int32_t mesh_id = std::stoi(get_node_value(node, "mesh"));
@@ -252,7 +252,7 @@ WeightWindows* WeightWindows::from_hdf5(
 
   std::string particle_type;
   read_dataset(ww_group, "particle_type", particle_type);
-  wws->particle_type_ = openmc::str_to_particle_type(particle_type);
+  wws->particle_type_ = ParticleType {particle_type};
 
   read_dataset<double>(ww_group, "energy_bounds", wws->energy_bounds_);
 
@@ -284,7 +284,10 @@ void WeightWindows::set_defaults()
 {
   // set energy bounds to the min/max energy supported by the data
   if (energy_bounds_.size() == 0) {
-    int p_type = static_cast<int>(particle_type_);
+    int p_type = particle_type_.transport_index();
+    if (p_type == C_NONE) {
+      fatal_error("Weight windows particle is not supported for transport.");
+    }
     energy_bounds_.push_back(data::energy_min[p_type]);
     energy_bounds_.push_back(data::energy_max[p_type]);
   }
@@ -345,10 +348,9 @@ void WeightWindows::set_energy_bounds(span<const double> bounds)
 
 void WeightWindows::set_particle_type(ParticleType p_type)
 {
-  if (p_type != ParticleType::neutron && p_type != ParticleType::photon)
-    fatal_error(
-      fmt::format("Particle type '{}' cannot be applied to weight windows.",
-        particle_type_to_str(p_type)));
+  if (!p_type.is_neutron() && !p_type.is_photon())
+    fatal_error(fmt::format(
+      "Particle type '{}' cannot be applied to weight windows.", p_type.str()));
   particle_type_ = p_type;
 }
 
@@ -608,8 +610,7 @@ void WeightWindows::update_weights(const Tally* tally, const std::string& value,
     if (p_it == particles.end()) {
       auto msg = fmt::format("Particle type '{}' not present on Filter {} for "
                              "Tally {} used to update WeightWindows {}",
-        particle_type_to_str(this->particle_type_), pf->id(), tally->id(),
-        this->id());
+        this->particle_type_.str(), pf->id(), tally->id(), this->id());
       fatal_error(msg);
     }
 
@@ -818,8 +819,7 @@ void WeightWindows::to_hdf5(hid_t group) const
   hid_t ww_group = create_group(group, fmt::format("weight_windows_{}", id()));
 
   write_dataset(ww_group, "mesh", this->mesh()->id());
-  write_dataset(
-    ww_group, "particle_type", openmc::particle_type_to_str(particle_type_));
+  write_dataset(ww_group, "particle_type", particle_type_.str());
   write_dataset(ww_group, "energy_bounds", energy_bounds_);
   write_dataset(ww_group, "lower_ww_bounds", lower_ww_);
   write_dataset(ww_group, "upper_ww_bounds", upper_ww_);
@@ -846,8 +846,8 @@ WeightWindowsGenerator::WeightWindowsGenerator(pugi::xml_node node)
         max_realizations_, active_batches);
     warning(msg);
   }
-  auto tmp_str = get_node_value(node, "particle_type", true, true);
-  auto particle_type = str_to_particle_type(tmp_str);
+  auto tmp_str = get_node_value(node, "particle_type", false, true);
+  auto particle_type = ParticleType {tmp_str};
 
   update_interval_ = std::stoi(get_node_value(node, "update_interval"));
   on_the_fly_ = get_node_value_bool(node, "on_the_fly");
@@ -856,7 +856,10 @@ WeightWindowsGenerator::WeightWindowsGenerator(pugi::xml_node node)
   if (check_for_node(node, "energy_bounds")) {
     e_bounds = get_node_array<double>(node, "energy_bounds");
   } else {
-    int p_type = static_cast<int>(particle_type);
+    int p_type = particle_type.transport_index();
+    if (p_type == C_NONE) {
+      fatal_error("Weight windows particle is not supported for transport.");
+    }
     e_bounds.push_back(data::energy_min[p_type]);
     e_bounds.push_back(data::energy_max[p_type]);
   }
@@ -1110,23 +1113,25 @@ extern "C" int openmc_weight_windows_get_energy_bounds(
   return 0;
 }
 
-extern "C" int openmc_weight_windows_set_particle(int32_t index, int particle)
+extern "C" int openmc_weight_windows_set_particle(
+  int32_t index, int32_t particle)
 {
   if (int err = verify_ww_index(index))
     return err;
 
   const auto& wws = variance_reduction::weight_windows.at(index);
-  wws->set_particle_type(static_cast<ParticleType>(particle));
+  wws->set_particle_type(ParticleType {particle});
   return 0;
 }
 
-extern "C" int openmc_weight_windows_get_particle(int32_t index, int* particle)
+extern "C" int openmc_weight_windows_get_particle(
+  int32_t index, int32_t* particle)
 {
   if (int err = verify_ww_index(index))
     return err;
 
   const auto& wws = variance_reduction::weight_windows.at(index);
-  *particle = static_cast<int>(wws->particle_type());
+  *particle = wws->particle_type().pdg_number();
   return 0;
 }
 
diff --git a/tests/cpp_unit_tests/test_mcpl_stat_sum.cpp b/tests/cpp_unit_tests/test_mcpl_stat_sum.cpp
index 909830e03..d0c26f26c 100644
--- a/tests/cpp_unit_tests/test_mcpl_stat_sum.cpp
+++ b/tests/cpp_unit_tests/test_mcpl_stat_sum.cpp
@@ -25,7 +25,7 @@ TEST_CASE("MCPL stat:sum field")
 
     // Initialize test particles
     for (int i = 0; i < 100; ++i) {
-      source_bank[i].particle = openmc::ParticleType::neutron;
+      source_bank[i].particle = openmc::ParticleType::neutron();
       source_bank[i].r = {i * 0.1, i * 0.2, i * 0.3};
       source_bank[i].u = {0.0, 0.0, 1.0};
       source_bank[i].E = 2.0e6; // 2 MeV
@@ -63,7 +63,7 @@ TEST_CASE("MCPL stat:sum field")
 
       // Initialize particles
       for (int i = 0; i < count; ++i) {
-        source_bank[i].particle = openmc::ParticleType::neutron;
+        source_bank[i].particle = openmc::ParticleType::neutron();
         source_bank[i].r = {0.0, 0.0, 0.0};
         source_bank[i].u = {0.0, 0.0, 1.0};
         source_bank[i].E = 1.0e6;
diff --git a/tests/regression_tests/source_dlopen/source_sampling.cpp b/tests/regression_tests/source_dlopen/source_sampling.cpp
index fc61ef1fd..678eea4be 100644
--- a/tests/regression_tests/source_dlopen/source_sampling.cpp
+++ b/tests/regression_tests/source_dlopen/source_sampling.cpp
@@ -10,7 +10,7 @@ class CustomSource : public openmc::Source {
   {
     openmc::SourceSite particle;
     // wgt
-    particle.particle = openmc::ParticleType::neutron;
+    particle.particle = openmc::ParticleType::neutron();
     particle.wgt = 1.0;
     // position
 
diff --git a/tests/regression_tests/source_parameterized_dlopen/parameterized_source_sampling.cpp b/tests/regression_tests/source_parameterized_dlopen/parameterized_source_sampling.cpp
index bf49af4c3..81f3770c6 100644
--- a/tests/regression_tests/source_parameterized_dlopen/parameterized_source_sampling.cpp
+++ b/tests/regression_tests/source_parameterized_dlopen/parameterized_source_sampling.cpp
@@ -2,36 +2,37 @@
 #include "openmc/source.h"
 
 class CustomSource : public openmc::Source {
-  public:
-    CustomSource(double energy) : energy_(energy) { }
+public:
+  CustomSource(double energy) : energy_(energy) {}
 
-    // Samples from an instance of this class.
-    openmc::SourceSite sample(uint64_t* seed) const
-    {
-      openmc::SourceSite particle;
-      // wgt
-      particle.particle = openmc::ParticleType::neutron;
-      particle.wgt = 1.0;
-      // position
-      particle.r.x = 0.0;
-      particle.r.y = 0.0;
-      particle.r.z = 0.0;
-      // angle
-      particle.u = {1.0, 0.0, 0.0};
-      particle.E = this->energy_;
-      particle.delayed_group = 0;
+  // Samples from an instance of this class.
+  openmc::SourceSite sample(uint64_t* seed) const
+  {
+    openmc::SourceSite particle;
+    // wgt
+    particle.particle = openmc::ParticleType::neutron();
+    particle.wgt = 1.0;
+    // position
+    particle.r.x = 0.0;
+    particle.r.y = 0.0;
+    particle.r.z = 0.0;
+    // angle
+    particle.u = {1.0, 0.0, 0.0};
+    particle.E = this->energy_;
+    particle.delayed_group = 0;
 
-      return particle;
-    }
+    return particle;
+  }
 
-  private:
-    double energy_;
+private:
+  double energy_;
 };
 
-// A function to create a unique pointer to an instance of this class when generated
-// via a plugin call using dlopen/dlsym.
-// You must have external C linkage here otherwise dlopen will not find the file
-extern "C" std::unique_ptr<CustomSource> openmc_create_source(std::string parameter)
+// A function to create a unique pointer to an instance of this class when
+// generated via a plugin call using dlopen/dlsym. You must have external C
+// linkage here otherwise dlopen will not find the file
+extern "C" std::unique_ptr<CustomSource> openmc_create_source(
+  std::string parameter)
 {
   double energy = std::stod(parameter);
   return std::make_unique<CustomSource>(energy);
diff --git a/tests/regression_tests/surface_source/surface_source_true.h5 b/tests/regression_tests/surface_source/surface_source_true.h5
index d343d12aed654f2da53310c5943c20d8bd85afb9..02e94c90b990376b5db3595a486feefd236fd37b 100644
GIT binary patch
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diff --git a/tests/regression_tests/surface_source_write/test.py b/tests/regression_tests/surface_source_write/test.py
index f144eb82a..094df1f8b 100644
--- a/tests/regression_tests/surface_source_write/test.py
+++ b/tests/regression_tests/surface_source_write/test.py
@@ -634,7 +634,7 @@ def return_surface_source_data(filepath):
         wgt = point.wgt
         delayed_group = point.delayed_group
         surf_id = point.surf_id
-        particle = point.particle
+        particle = point.particle.pdg_number
         key = (
             f"{r[0]:.10e} {r[1]:.10e} {r[2]:.10e} {u[0]:.10e} {u[1]:.10e} {u[2]:.10e}"
             f"{e:.10e} {time:.10e} {wgt:.10e} {delayed_group} {surf_id} {particle}"
diff --git a/tests/unit_tests/test_particle_type.py b/tests/unit_tests/test_particle_type.py
new file mode 100644
index 000000000..67e385ea6
--- /dev/null
+++ b/tests/unit_tests/test_particle_type.py
@@ -0,0 +1,298 @@
+"""Unit tests for ParticleType class."""
+
+import pytest
+from openmc import ParticleType
+
+
+# Tests for creating ParticleType instances
+
+def test_create_from_int():
+    """Test creation from PDG number."""
+    p = ParticleType(2112)
+    assert p.pdg_number == 2112
+    assert int(p) == 2112
+
+
+def test_create_from_string_name():
+    """Test creation from particle name."""
+    p = ParticleType('neutron')
+    assert p.pdg_number == 2112
+
+    p = ParticleType('photon')
+    assert p.pdg_number == 22
+
+
+def test_create_from_string_aliases():
+    """Test creation from particle aliases."""
+    assert ParticleType('n').pdg_number == 2112
+    assert ParticleType('gamma').pdg_number == 22
+    assert ParticleType('p').pdg_number == 2212
+    assert ParticleType('proton').pdg_number == 2212
+    assert ParticleType('d').pdg_number == 1000010020
+    assert ParticleType('t').pdg_number == 1000010030
+
+
+def test_create_from_string_nuclide():
+    """Test creation from GNDS nuclide name."""
+    p = ParticleType('He4')
+    assert p.pdg_number == 1000020040
+
+    p = ParticleType('U235')
+    assert p.pdg_number == 1000922350
+
+    p = ParticleType('Am242_m1')
+    assert p.pdg_number == 1000952421
+
+
+def test_create_from_string_pdg_prefix():
+    """Test creation with pdg: prefix."""
+    p = ParticleType('pdg:2112')
+    assert p.pdg_number == 2112
+
+    p = ParticleType('PDG:22')
+    assert p.pdg_number == 22
+
+
+def test_create_from_particle_type():
+    """Test creation from existing ParticleType."""
+    p1 = ParticleType(2112)
+    p2 = ParticleType(p1)
+    assert p1 == p2
+    assert p1 is not p2  # Different instances
+
+
+def test_legacy_particle_indices():
+    """Test backward compatibility with legacy indices 0-3."""
+    assert ParticleType(0) == ParticleType.NEUTRON
+    assert ParticleType(1) == ParticleType.PHOTON
+    assert ParticleType(2) == ParticleType.ELECTRON
+    assert ParticleType(3) == ParticleType.POSITRON
+
+
+def test_create_invalid_type():
+    """Test creation with invalid type raises TypeError."""
+    with pytest.raises(TypeError):
+        ParticleType([2112])
+
+    with pytest.raises(TypeError):
+        ParticleType({'pdg': 2112})
+
+
+def test_create_invalid_string():
+    """Test creation with invalid string raises ValueError."""
+    with pytest.raises(ValueError):
+        ParticleType('')
+
+    with pytest.raises(ValueError):
+        ParticleType('pdg:invalid')
+
+
+def test_create_case_insensitive():
+    """Test that string parsing is case insensitive for aliases."""
+    assert ParticleType('NEUTRON').pdg_number == 2112
+    assert ParticleType('Neutron').pdg_number == 2112
+    assert ParticleType('PHOTON').pdg_number == 22
+
+
+# Tests for equality and comparison
+
+def test_equality_same_pdg():
+    """Test that instances with same PDG are equal."""
+    p1 = ParticleType(2112)
+    p2 = ParticleType(2112)
+    assert p1 == p2
+
+
+def test_equality_int():
+    """Test equality comparison with int."""
+    p = ParticleType(2112)
+    assert p == 2112
+    assert 2112 == p
+
+
+def test_equality_string():
+    """Test equality comparison with string."""
+    p = ParticleType(2112)
+    assert p == 'neutron'
+    assert p == 'pdg:2112'
+    assert p == 'n'
+
+
+def test_inequality():
+    """Test inequality comparisons."""
+    p1 = ParticleType(2112)
+    p2 = ParticleType(22)
+    assert p1 != p2
+    assert p1 != 22
+    assert p1 != 'photon'
+
+
+def test_equality_with_constants():
+    """Test equality with class constants."""
+    p = ParticleType(2112)
+    assert p == ParticleType.NEUTRON
+    assert ParticleType.NEUTRON == p
+
+
+def test_equality_invalid_string():
+    """Test equality with invalid string returns False."""
+    p = ParticleType(2112)
+    assert not (p == 'invalid_particle')
+    assert p != 'invalid_particle'
+
+
+# Tests for hashing behavior
+
+def test_hash_consistency():
+    """Test that equal instances hash to the same value."""
+    p1 = ParticleType(2112)
+    p2 = ParticleType(2112)
+    assert hash(p1) == hash(p2)
+
+
+def test_set_deduplication():
+    """Test that equal instances deduplicate in sets."""
+    p1 = ParticleType(2112)
+    p2 = ParticleType(2112)
+    s = {p1, p2}
+    assert len(s) == 1
+
+
+def test_dict_key():
+    """Test use as dictionary key."""
+    p1 = ParticleType(2112)
+    p2 = ParticleType(2112)
+    d = {p1: 'neutron'}
+    assert d[p2] == 'neutron'
+
+
+def test_hash_different_particles():
+    """Test that different particles have different hashes (usually)."""
+    p1 = ParticleType(2112)
+    p2 = ParticleType(22)
+    # Different PDG numbers should (almost always) have different hashes
+    assert hash(p1) != hash(p2)
+
+
+# Tests for properties and computed attributes
+
+def test_pdg_number_property():
+    """Test pdg_number property."""
+    p = ParticleType(2112)
+    assert p.pdg_number == 2112
+    assert isinstance(p.pdg_number, int)
+
+
+def test_int_conversion():
+    """Test __int__ conversion."""
+    p = ParticleType(1000020040)
+    assert int(p) == 1000020040
+
+
+def test_zam_elementary():
+    """Test zam property for elementary particles."""
+    assert ParticleType.NEUTRON.zam is None
+    assert ParticleType.PHOTON.zam is None
+    assert ParticleType.ELECTRON.zam is None
+    assert ParticleType.POSITRON.zam is None
+
+
+def test_zam_nucleus():
+    """Test zam property for nuclear particles."""
+    he4 = ParticleType('He4')
+    assert he4.zam == (2, 4, 0)
+
+    u235 = ParticleType('U235')
+    Z, A, m = u235.zam
+    assert Z == 92
+    assert A == 235
+    assert m == 0
+
+
+def test_zam_metastable():
+    """Test zam property for metastable nuclei."""
+    # Am242m has m=1
+    am242m = ParticleType('Am242_m1')
+    Z, A, m = am242m.zam
+    assert Z == 95
+    assert A == 242
+    assert m == 1
+
+
+def test_is_nucleus_false():
+    """Test is_nucleus for elementary particles."""
+    assert not ParticleType.NEUTRON.is_nucleus
+    assert not ParticleType.PHOTON.is_nucleus
+    assert not ParticleType.ELECTRON.is_nucleus
+    assert not ParticleType.POSITRON.is_nucleus
+
+
+def test_is_nucleus_true():
+    """Test is_nucleus for nuclear particles."""
+    assert ParticleType.ALPHA.is_nucleus
+    assert ParticleType('He4').is_nucleus
+    assert ParticleType('U235').is_nucleus
+    assert ParticleType.DEUTERON.is_nucleus
+    assert ParticleType.TRITON.is_nucleus
+
+
+# Tests for __str__ and __repr__
+
+def test_str_elementary():
+    """Test string representation of elementary particles."""
+    assert str(ParticleType.NEUTRON) == 'neutron'
+    assert str(ParticleType.PHOTON) == 'photon'
+    assert str(ParticleType.ELECTRON) == 'electron'
+    assert str(ParticleType.POSITRON) == 'positron'
+    assert str(ParticleType.PROTON) == 'H1'
+
+
+def test_str_nucleus():
+    """Test string representation of nuclei."""
+    assert str(ParticleType.ALPHA) == 'He4'
+    assert str(ParticleType('U235')) == 'U235'
+    assert str(ParticleType.DEUTERON) == 'H2'
+    assert str(ParticleType.TRITON) == 'H3'
+
+
+def test_str_arbitrary_pdg():
+    """Test string representation of arbitrary PDG number."""
+    # PDG number that doesn't match any known particle
+    p = ParticleType(12345)
+    assert str(p) == 'pdg:12345'
+
+
+def test_repr():
+    """Test repr includes PDG number."""
+    p = ParticleType.NEUTRON
+    repr_str = repr(p)
+    assert 'ParticleType' in repr_str
+    assert 'PDG=2112' in repr_str
+    assert 'neutron' in repr_str
+
+
+def test_repr_nucleus():
+    """Test repr for nuclear particles."""
+    p = ParticleType.ALPHA
+    repr_str = repr(p)
+    assert 'ParticleType' in repr_str
+    assert 'PDG=1000020040' in repr_str
+    assert 'He4' in repr_str
+
+
+def test_create_from_numpy_int():
+    """Test creation from numpy integer types."""
+    import numpy as np
+    p = ParticleType(np.int32(2112))
+    assert p.pdg_number == 2112
+
+    p = ParticleType(np.int64(22))
+    assert p.pdg_number == 22
+
+
+def test_equality_numpy_int():
+    """Test equality comparison with numpy integer types."""
+    import numpy as np
+    p = ParticleType(2112)
+    assert p == np.int32(2112)
+    assert p == np.int64(2112)
diff --git a/tests/unit_tests/test_source_file.py b/tests/unit_tests/test_source_file.py
index 41906c80f..3e84fbe51 100644
--- a/tests/unit_tests/test_source_file.py
+++ b/tests/unit_tests/test_source_file.py
@@ -42,7 +42,7 @@ def test_source_file(run_in_tmpdir):
     assert np.all(arr['E'] == n - np.arange(n))
     assert np.all(arr['wgt'] == 1.0)
     assert np.all(arr['delayed_group'] == 0)
-    assert np.all(arr['particle'] == 0)
+    assert np.all(arr['particle'] == 2112)  # PDG number for neutron
 
     # Ensure sites read in are consistent
     sites = openmc.ParticleList.from_hdf5('test_source.h5')
@@ -64,7 +64,7 @@ def test_source_file(run_in_tmpdir):
     dgs = np.array([s.delayed_group for s in sites])
     assert np.all(dgs == 0)
     p_types = np.array([s.particle for s in sites])
-    assert np.all(p_types == 0)
+    assert np.all(p_types == 2112)  # PDG number for neutron
 
     # Ensure a ParticleList item is a SourceParticle
     site = sites[0]
diff --git a/tests/unit_tests/test_tracks.py b/tests/unit_tests/test_tracks.py
index fa8664159..74da83552 100644
--- a/tests/unit_tests/test_tracks.py
+++ b/tests/unit_tests/test_tracks.py
@@ -70,7 +70,7 @@ def test_tracks(sphere_model, particle, run_in_tmpdir):
         particle_track = track.particle_tracks[0]
         assert isinstance(particle_track, openmc.ParticleTrack)
 
-        assert particle_track.particle.name.lower() == particle
+        assert str(particle_track.particle).lower() == particle
         assert isinstance(particle_track.states, np.ndarray)
 
         # Sanity checks on actual data
@@ -140,8 +140,10 @@ def test_filter(sphere_model, run_in_tmpdir):
     assert matches == tracks
     matches = tracks.filter(state_filter=lambda s: s['E'] > 0.0)
     assert matches == tracks
-    matches = tracks.filter(particle='bunnytron')
+    matches = tracks.filter(particle='proton')
     assert matches == []
+    with pytest.raises(ValueError):
+        tracks.filter(particle='bunnytron')
 
 
 def test_write_to_vtk(sphere_model):
diff --git a/tests/unit_tests/weightwindows/test_wwinp_reader.py b/tests/unit_tests/weightwindows/test_wwinp_reader.py
index 637463bb2..601517d47 100644
--- a/tests/unit_tests/weightwindows/test_wwinp_reader.py
+++ b/tests/unit_tests/weightwindows/test_wwinp_reader.py
@@ -52,7 +52,7 @@ n_mesh.z_grid = np.array([-100.0,
 n_e_bounds = (np.array([0.0,
                          100000.0,
                          146780.0]),)
-n_particles = ('neutron',)
+n_particles = [openmc.ParticleType.NEUTRON]
 
 # expected results - neutron and photon data
 np_mesh = openmc.RectilinearMesh()
@@ -63,7 +63,7 @@ np_mesh.z_grid = n_mesh.z_grid
 
 np_e_bounds = (np.array([0.0, 100000.0, 146780.0, 215440.0]),
                np.array([0.0, 1.0E8]))
-np_particles = ('neutron', 'photon')
+np_particles = [openmc.ParticleType.NEUTRON, openmc.ParticleType.PHOTON]
 
 # expected results - photon data only
 p_mesh = openmc.RectilinearMesh()
@@ -74,7 +74,7 @@ p_mesh.y_grid = np_mesh.y_grid
 p_mesh.z_grid = np.array([-50.0, 50.0])
 
 p_e_bounds = (np.array([0.0, 100000.0, 146780.0, 215440.0, 316230.0]),)
-p_particles = ('photon',)
+p_particles = [openmc.ParticleType.PHOTON]
 
 expected_results = [('wwinp_n', n_mesh, n_particles, n_e_bounds),
                     ('wwinp_np', np_mesh, np_particles, np_e_bounds),

From a22238e069fb684d0be110dafeb343b381eda454 Mon Sep 17 00:00:00 2001
From: David Andrs <andrsd@gmail.com>
Date: Wed, 4 Feb 2026 13:50:38 -0700
Subject: [PATCH 2502/2654] Fixing compiler warning about VLA (Clang extension)
 (#3769)

---
 src/eigenvalue.cpp | 8 ++++----
 1 file changed, 4 insertions(+), 4 deletions(-)

diff --git a/src/eigenvalue.cpp b/src/eigenvalue.cpp
index 2fb9dabf1..dc4fbb420 100644
--- a/src/eigenvalue.cpp
+++ b/src/eigenvalue.cpp
@@ -192,9 +192,9 @@ void synchronize_bank()
   // TODO: protect for MPI_Exscan at rank 0
 
   // Allocate space for bank_position if this hasn't been done yet
-  int64_t bank_position[mpi::n_procs];
-  MPI_Allgather(
-    &start, 1, MPI_INT64_T, bank_position, 1, MPI_INT64_T, mpi::intracomm);
+  std::vector<int64_t> bank_position(mpi::n_procs);
+  MPI_Allgather(&start, 1, MPI_INT64_T, bank_position.data(), 1, MPI_INT64_T,
+    mpi::intracomm);
 #else
   start = 0;
   finish = index_temp;
@@ -289,7 +289,7 @@ void synchronize_bank()
     neighbor = mpi::n_procs - 1;
   } else {
     neighbor =
-      upper_bound_index(bank_position, bank_position + mpi::n_procs, start);
+      upper_bound_index(bank_position.begin(), bank_position.end(), start);
   }
 
   // Resize IFP receive buffers

From 3b619d69042b26d0ca25e94832794ba517123c4f Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 4 Feb 2026 22:29:30 -0600
Subject: [PATCH 2503/2654] Fix use of length multiplier in several LibMesh
 methods (#3773)

---
 src/mesh.cpp | 18 +++++++++++++++---
 1 file changed, 15 insertions(+), 3 deletions(-)

diff --git a/src/mesh.cpp b/src/mesh.cpp
index a72b1441f..acd90033f 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -3669,8 +3669,15 @@ void LibMesh::initialize()
   bbox_ = libMesh::MeshTools::create_bounding_box(*m_);
   libMesh::Point ll = bbox_.min();
   libMesh::Point ur = bbox_.max();
-  lower_left_ = {ll(0), ll(1), ll(2)};
-  upper_right_ = {ur(0), ur(1), ur(2)};
+  if (length_multiplier_ > 0.0) {
+    lower_left_ = {length_multiplier_ * ll(0), length_multiplier_ * ll(1),
+      length_multiplier_ * ll(2)};
+    upper_right_ = {length_multiplier_ * ur(0), length_multiplier_ * ur(1),
+      length_multiplier_ * ur(2)};
+  } else {
+    lower_left_ = {ll(0), ll(1), ll(2)};
+    upper_right_ = {ur(0), ur(1), ur(2)};
+  }
 }
 
 // Sample position within a tet for LibMesh type tets
@@ -3684,7 +3691,12 @@ Position LibMesh::sample_element(int32_t bin, uint64_t* seed) const
     tet_verts[i] = {node_ref(0), node_ref(1), node_ref(2)};
   }
   // Samples position within tet using Barycentric coordinates
-  return this->sample_tet(tet_verts, seed);
+  Position sampled_position = this->sample_tet(tet_verts, seed);
+  if (length_multiplier_ > 0.0) {
+    return length_multiplier_ * sampled_position;
+  } else {
+    return sampled_position;
+  }
 }
 
 Position LibMesh::centroid(int bin) const

From 1039b5d9ffa0d0371f5f3fe100147cc3b8ea774f Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Thu, 5 Feb 2026 17:43:16 +0100
Subject: [PATCH 2504/2654] Parallelize transpose of scattering matrix for
 random ray adjoints (#3768)

---
 src/random_ray/flat_source_domain.cpp | 1 +
 1 file changed, 1 insertion(+)

diff --git a/src/random_ray/flat_source_domain.cpp b/src/random_ray/flat_source_domain.cpp
index c2effaa5d..d0c342bf5 100644
--- a/src/random_ray/flat_source_domain.cpp
+++ b/src/random_ray/flat_source_domain.cpp
@@ -1277,6 +1277,7 @@ void FlatSourceDomain::set_adjoint_sources()
 void FlatSourceDomain::transpose_scattering_matrix()
 {
   // Transpose the inner two dimensions for each material
+#pragma omp parallel for
   for (int m = 0; m < n_materials_; ++m) {
     int material_offset = m * negroups_ * negroups_;
     for (int i = 0; i < negroups_; ++i) {

From f2c936cf5b5187c8bd575fee8689e5fcee1a8166 Mon Sep 17 00:00:00 2001
From: Gavin Ridley <gavin.keith.ridley@gmail.com>
Date: Thu, 5 Feb 2026 18:00:03 -0600
Subject: [PATCH 2505/2654] Implement filter for secondary particle production
 binned by energy (#3453)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 docs/source/pythonapi/base.rst                |   1 +
 include/openmc/constants.h                    |   2 +-
 include/openmc/particle_data.h                |  18 +++
 include/openmc/tallies/filter.h               |   1 +
 include/openmc/tallies/filter_energy.h        |  32 +++++
 openmc/filter.py                              | 115 +++++++++++++++---
 src/particle.cpp                              |   9 ++
 src/physics.cpp                               |   2 +
 src/physics_mg.cpp                            |   2 +
 src/tallies/filter.cpp                        |   2 +
 src/tallies/filter_delayedgroup.cpp           |   6 +-
 src/tallies/filter_energy.cpp                 |  44 +++++++
 src/tallies/tally.cpp                         |   2 +
 .../photon_production_inputs_true.dat         |  15 +++
 .../photon_production/inputs_true.dat         |  15 +++
 .../photon_production/results_true.dat        |  11 ++
 .../photon_production/test.py                 |  30 ++++-
 tests/unit_tests/test_filters.py              |  47 ++++++-
 18 files changed, 328 insertions(+), 26 deletions(-)

diff --git a/docs/source/pythonapi/base.rst b/docs/source/pythonapi/base.rst
index dea8c4427..7bd03f379 100644
--- a/docs/source/pythonapi/base.rst
+++ b/docs/source/pythonapi/base.rst
@@ -132,6 +132,7 @@ Constructing Tallies
    openmc.MeshSurfaceFilter
    openmc.EnergyFilter
    openmc.EnergyoutFilter
+   openmc.ParticleProductionFilter
    openmc.MuFilter
    openmc.MuSurfaceFilter
    openmc.PolarFilter
diff --git a/include/openmc/constants.h b/include/openmc/constants.h
index 980cff447..8185214fc 100644
--- a/include/openmc/constants.h
+++ b/include/openmc/constants.h
@@ -301,7 +301,7 @@ enum class TallyEstimator { ANALOG, TRACKLENGTH, COLLISION };
 enum class TallyEvent { SURFACE, LATTICE, KILL, SCATTER, ABSORB };
 
 // Tally score type -- if you change these, make sure you also update the
-// _SCORES dictionary in openmc/capi/tally.py
+// _SCORES dictionary in openmc/lib/tally.py
 //
 // These are kept as a normal enum and made negative, since variables which
 // store one of these enum values usually also may be responsible for storing
diff --git a/include/openmc/particle_data.h b/include/openmc/particle_data.h
index 75166b36a..5b632bbce 100644
--- a/include/openmc/particle_data.h
+++ b/include/openmc/particle_data.h
@@ -535,6 +535,11 @@ private:
 
   vector<SourceSite> secondary_bank_;
 
+  // Keep track of how many secondary particles were created in the collision
+  // and what the starting index is in the secondary bank for this particle
+  int n_secondaries_ {0};
+  int secondary_bank_index_ {0};
+
   int64_t current_work_;
 
   vector<double> flux_derivs_;
@@ -689,7 +694,20 @@ public:
 
   // secondary particle bank
   SourceSite& secondary_bank(int i) { return secondary_bank_[i]; }
+  const SourceSite& secondary_bank(int i) const { return secondary_bank_[i]; }
   decltype(secondary_bank_)& secondary_bank() { return secondary_bank_; }
+  decltype(secondary_bank_) const& secondary_bank() const
+  {
+    return secondary_bank_;
+  }
+
+  // Number of secondaries created in a collision
+  int& n_secondaries() { return n_secondaries_; }
+  const int& n_secondaries() const { return n_secondaries_; }
+
+  // Starting index in secondary bank for this collision
+  int& secondary_bank_index() { return secondary_bank_index_; }
+  const int& secondary_bank_index() const { return secondary_bank_index_; }
 
   // Current simulation work index
   int64_t& current_work() { return current_work_; }
diff --git a/include/openmc/tallies/filter.h b/include/openmc/tallies/filter.h
index 65098597a..0fef97e50 100644
--- a/include/openmc/tallies/filter.h
+++ b/include/openmc/tallies/filter.h
@@ -39,6 +39,7 @@ enum class FilterType {
   MUSURFACE,
   PARENT_NUCLIDE,
   PARTICLE,
+  PARTICLE_PRODUCTION,
   POLAR,
   SPHERICAL_HARMONICS,
   SPATIAL_LEGENDRE,
diff --git a/include/openmc/tallies/filter_energy.h b/include/openmc/tallies/filter_energy.h
index cf8a8aa0f..6bc9ff6b1 100644
--- a/include/openmc/tallies/filter_energy.h
+++ b/include/openmc/tallies/filter_energy.h
@@ -1,6 +1,7 @@
 #ifndef OPENMC_TALLIES_FILTER_ENERGY_H
 #define OPENMC_TALLIES_FILTER_ENERGY_H
 
+#include "openmc/particle.h"
 #include "openmc/span.h"
 #include "openmc/tallies/filter.h"
 #include "openmc/vector.h"
@@ -72,5 +73,36 @@ public:
   std::string text_label(int bin) const override;
 };
 
+//==============================================================================
+//! Bins the outgoing energy of secondary particles
+//!
+//! This filter can be used to get the photon production matrix for multigroup
+//! photon transport, the energy distribution of secondary neutrons, etc. Unlike
+//! other energy filters, the weight that is applied is equal to the weight of
+//! the secondary particle. Thus, to get secondary production it should be used
+//! in conjunction with the "events" score.
+//==============================================================================
+
+class ParticleProductionFilter : public EnergyFilter {
+public:
+  //----------------------------------------------------------------------------
+  // Methods
+
+  std::string type_str() const override { return "particleproduction"; }
+  FilterType type() const override { return FilterType::PARTICLE_PRODUCTION; }
+
+  void get_all_bins(const Particle& p, TallyEstimator estimator,
+    FilterMatch& match) const override;
+
+  std::string text_label(int bin) const override;
+
+  void from_xml(pugi::xml_node node) override;
+
+  void to_statepoint(hid_t filter_group) const override;
+
+protected:
+  ParticleType secondary_type_; //!< Type of secondary particle to filter
+};
+
 } // namespace openmc
 #endif // OPENMC_TALLIES_FILTER_ENERGY_H
diff --git a/openmc/filter.py b/openmc/filter.py
index 53ec93e21..7561f6be6 100644
--- a/openmc/filter.py
+++ b/openmc/filter.py
@@ -126,9 +126,9 @@ class Filter(IDManagerMixin, metaclass=FilterMeta):
     def __gt__(self, other):
         if type(self) is not type(other):
             if self.short_name in _FILTER_TYPES and \
-                other.short_name in _FILTER_TYPES:
+                    other.short_name in _FILTER_TYPES:
                 delta = _FILTER_TYPES.index(self.short_name) - \
-                        _FILTER_TYPES.index(other.short_name)
+                    _FILTER_TYPES.index(other.short_name)
                 return delta > 0
             else:
                 return False
@@ -275,7 +275,6 @@ class Filter(IDManagerMixin, metaclass=FilterMeta):
             if filter_type == subclass.short_name.lower():
                 return subclass.from_xml_element(elem, **kwargs)
 
-
     def can_merge(self, other):
         """Determine if filter can be merged with another.
 
@@ -426,6 +425,7 @@ class Filter(IDManagerMixin, metaclass=FilterMeta):
 
 class WithIDFilter(Filter):
     """Abstract parent for filters of types with IDs (Cell, Material, etc.)."""
+
     def __init__(self, bins, filter_id=None):
         bins = np.atleast_1d(bins)
 
@@ -629,6 +629,7 @@ class CellInstanceFilter(Filter):
     DistribcellFilter
 
     """
+
     def __init__(self, bins, filter_id=None):
         self.bins = bins
         self.id = filter_id
@@ -749,6 +750,7 @@ class ParticleFilter(Filter):
         The number of filter bins
 
     """
+
     def __eq__(self, other):
         if type(self) is not type(other):
             return False
@@ -1103,6 +1105,7 @@ class MeshMaterialFilter(MeshFilter):
         Unique identifier for the filter
 
     """
+
     def __init__(self, mesh: openmc.MeshBase, bins, filter_id=None):
         self.mesh = mesh
         self.bins = bins
@@ -1437,6 +1440,7 @@ class RealFilter(Filter):
         The number of filter bins
 
     """
+
     def __init__(self, values, filter_id=None):
         self.values = np.asarray(values)
         self.bins = np.vstack((self.values[:-1], self.values[1:])).T
@@ -1712,7 +1716,8 @@ class EnergyFilter(RealFilter):
 
         """
 
-        cv.check_value('group_structure', group_structure, openmc.mgxs.GROUP_STRUCTURES.keys())
+        cv.check_value('group_structure', group_structure,
+                       openmc.mgxs.GROUP_STRUCTURES.keys())
         return cls(openmc.mgxs.GROUP_STRUCTURES[group_structure.upper()])
 
 
@@ -1742,6 +1747,82 @@ class EnergyoutFilter(EnergyFilter):
 
     """
 
+
+class ParticleProductionFilter(EnergyFilter):
+    """Bins tally events based on energy of secondary particles.
+
+    This filter bins the energies of secondary particles (e.g., photons,
+    electrons, or recoils) produced in a reaction. This is useful for
+    constructing production matrices or analyzing secondary particle spectra.
+    Note that unlike other energy filters, the weight that is applied is equal
+    to the weight of the secondary particle. Thus, to obtain secondary particle
+    production, it should be used in conjunction with the "events" score.
+
+    The incident particle type can be filtered using :class:`ParticleFilter`.
+
+    .. versionadded:: 0.15.4
+
+    Parameters
+    ----------
+    particle : str, int, openmc.ParticleType
+        Type of secondary particle to tally ('photon', 'neutron', etc.)
+    values : Iterable of Real
+        A list of energy boundaries in [eV]; each successive pair defines a bin.
+    filter_id : int, optional
+        Unique identifier for the filter
+
+    Attributes
+    ----------
+    values : numpy.ndarray
+        Energy boundaries in [eV]
+    bins : numpy.ndarray
+        Array of (low, high) energy bin pairs
+    num_bins : int
+        Number of filter bins
+    particle : str
+        The secondary particle type this filter applies to
+    """
+
+    def __init__(self, particle, values, filter_id=None):
+        super().__init__(values, filter_id)
+        self.particle = particle
+
+    def __repr__(self):
+        string = type(self).__name__ + '\n'
+        string += '{: <16}=\t{}\n'.format('\tParticle', self.particle)
+        string += '{: <16}=\t{}\n'.format('\tValues', self.values)
+        string += '{: <16}=\t{}\n'.format('\tID', self.id)
+        return string
+
+    @property
+    def particle(self) -> openmc.ParticleType:
+        return self._particle
+
+    @particle.setter
+    def particle(self, particle):
+        self._particle = openmc.ParticleType(particle)
+
+    def to_xml_element(self):
+        element = super().to_xml_element()
+        subelement = ET.SubElement(element, 'particle')
+        subelement.text = str(self.particle)
+        return element
+
+    @classmethod
+    def from_xml_element(cls, elem, **kwargs):
+        filter_id = int(elem.get('id'))
+        values = [float(x) for x in get_text(elem, 'bins').split()]
+        particle = get_text(elem, 'particle')
+        return cls(particle, values, filter_id=filter_id)
+
+    @classmethod
+    def from_hdf5(cls, group, **kwargs):
+        filter_id = int(group.name.split('/')[-1].lstrip('filter '))
+        bins = group['bins'][()]
+        particle = group['particle'][()].decode()
+        return cls(particle, bins, filter_id=filter_id)
+
+
 class TimeFilter(RealFilter):
     """Bins tally events based on the particle's time.
 
@@ -1909,7 +1990,7 @@ class DistribcellFilter(Filter):
         # Make sure there is only 1 bin.
         if not len(bins) == 1:
             msg = (f'Unable to add bins "{bins}" to a DistribcellFilter since '
-                  'only a single distribcell can be used per tally')
+                   'only a single distribcell can be used per tally')
             raise ValueError(msg)
 
         # Check the type and extract the id, if necessary.
@@ -2062,7 +2143,7 @@ class DistribcellFilter(Filter):
         # requests Summary geometric information
         filter_bins = _repeat_and_tile(
             np.arange(self.num_bins), stride, data_size)
-        df = pd.DataFrame({self.short_name.lower() : filter_bins})
+        df = pd.DataFrame({self.short_name.lower(): filter_bins})
 
         # Concatenate with DataFrame of distribcell instance IDs
         if level_df is not None:
@@ -2101,6 +2182,7 @@ class MuFilter(RealFilter):
         The number of filter bins
 
     """
+
     def __init__(self, values, filter_id=None):
         if isinstance(values, Integral):
             values = np.linspace(-1., 1., values + 1)
@@ -2266,6 +2348,7 @@ class DelayedGroupFilter(Filter):
         The number of filter bins
 
     """
+
     def check_bins(self, bins):
         # Check the bin values.
         for g in bins:
@@ -2334,9 +2417,9 @@ class EnergyFunctionFilter(Filter):
     def __gt__(self, other):
         if type(self) is not type(other):
             if self.short_name in _FILTER_TYPES and \
-                other.short_name in _FILTER_TYPES:
+                    other.short_name in _FILTER_TYPES:
                 delta = _FILTER_TYPES.index(self.short_name) - \
-                        _FILTER_TYPES.index(other.short_name)
+                    _FILTER_TYPES.index(other.short_name)
                 return delta > 0
             else:
                 return False
@@ -2346,9 +2429,9 @@ class EnergyFunctionFilter(Filter):
     def __lt__(self, other):
         if type(self) is not type(other):
             if self.short_name in _FILTER_TYPES and \
-                other.short_name in _FILTER_TYPES:
+                    other.short_name in _FILTER_TYPES:
                 delta = _FILTER_TYPES.index(self.short_name) - \
-                        _FILTER_TYPES.index(other.short_name)
+                    _FILTER_TYPES.index(other.short_name)
                 return delta < 0
             else:
                 return False
@@ -2359,14 +2442,16 @@ class EnergyFunctionFilter(Filter):
         string = type(self).__name__ + '\n'
         string += '{: <16}=\t{}\n'.format('\tEnergy', self.energy)
         string += '{: <16}=\t{}\n'.format('\tInterpolant', self.y)
-        string += '{: <16}=\t{}\n'.format('\tInterpolation', self.interpolation)
+        string += '{: <16}=\t{}\n'.format('\tInterpolation',
+                                          self.interpolation)
         return hash(string)
 
     def __repr__(self):
         string = type(self).__name__ + '\n'
         string += '{: <16}=\t{}\n'.format('\tEnergy', self.energy)
         string += '{: <16}=\t{}\n'.format('\tInterpolant', self.y)
-        string += '{: <16}=\t{}\n'.format('\tInterpolation', self.interpolation)
+        string += '{: <16}=\t{}\n'.format('\tInterpolation',
+                                          self.interpolation)
         string += '{: <16}=\t{}\n'.format('\tID', self.id)
         return string
 
@@ -2452,10 +2537,12 @@ class EnergyFunctionFilter(Filter):
     @interpolation.setter
     def interpolation(self, val):
         cv.check_type('interpolation', val, str)
-        cv.check_value('interpolation', val, self.INTERPOLATION_SCHEMES.values())
+        cv.check_value('interpolation', val,
+                       self.INTERPOLATION_SCHEMES.values())
 
         if val == 'quadratic' and len(self.energy) < 3:
-            raise ValueError('Quadratic interpolation requires 3 or more values.')
+            raise ValueError(
+                'Quadratic interpolation requires 3 or more values.')
 
         if val == 'cubic' and len(self.energy) < 4:
             raise ValueError('Cubic interpolation requires 3 or more values.')
diff --git a/src/particle.cpp b/src/particle.cpp
index a1176abc7..a035e76b9 100644
--- a/src/particle.cpp
+++ b/src/particle.cpp
@@ -87,6 +87,9 @@ bool Particle::create_secondary(
     return false;
   }
 
+  // Increment number of secondaries created (for ParticleProductionFilter)
+  n_secondaries()++;
+
   auto& bank = secondary_bank().emplace_back();
   bank.particle = type;
   bank.wgt = wgt;
@@ -336,6 +339,7 @@ void Particle::event_cross_surface()
 
 void Particle::event_collide()
 {
+
   // Score collision estimate of keff
   if (settings::run_mode == RunMode::EIGENVALUE && type().is_neutron()) {
     keff_tally_collision() += wgt() * macro_xs().nu_fission / macro_xs().total;
@@ -383,6 +387,11 @@ void Particle::event_collide()
   n_bank() = 0;
   bank_second_E() = 0.0;
   wgt_bank() = 0.0;
+
+  // Clear number of secondaries in this collision. This is
+  // distinct from the number of created neutrons n_bank() above!
+  n_secondaries() = 0;
+
   zero_delayed_bank();
 
   // Reset fission logical
diff --git a/src/physics.cpp b/src/physics.cpp
index 05a9e59d9..1f72e4fac 100644
--- a/src/physics.cpp
+++ b/src/physics.cpp
@@ -44,6 +44,7 @@ void collision(Particle& p)
 {
   // Add to collision counter for particle
   ++(p.n_collision());
+  p.secondary_bank_index() = p.secondary_bank().size();
 
   // Sample reaction for the material the particle is in
   switch (p.type().pdg_number()) {
@@ -253,6 +254,7 @@ void create_fission_sites(Particle& p, int i_nuclide, const Reaction& rx)
       }
     } else {
       p.secondary_bank().push_back(site);
+      p.n_secondaries()++;
     }
 
     // Increment the number of neutrons born delayed
diff --git a/src/physics_mg.cpp b/src/physics_mg.cpp
index 866d4d728..58a21a678 100644
--- a/src/physics_mg.cpp
+++ b/src/physics_mg.cpp
@@ -27,6 +27,7 @@ void collision_mg(Particle& p)
 {
   // Add to the collision counter for the particle
   p.n_collision()++;
+  p.secondary_bank_index() = p.secondary_bank().size();
 
   // Sample the reaction type
   sample_reaction(p);
@@ -200,6 +201,7 @@ void create_fission_sites(Particle& p)
       }
     } else {
       p.secondary_bank().push_back(site);
+      p.n_secondaries()++;
     }
 
     // Set the delayed group on the particle as well
diff --git a/src/tallies/filter.cpp b/src/tallies/filter.cpp
index 79817981d..16e4c0550 100644
--- a/src/tallies/filter.cpp
+++ b/src/tallies/filter.cpp
@@ -146,6 +146,8 @@ Filter* Filter::create(const std::string& type, int32_t id)
     return Filter::create<ParentNuclideFilter>(id);
   } else if (type == "particle") {
     return Filter::create<ParticleFilter>(id);
+  } else if (type == "particleproduction") {
+    return Filter::create<ParticleProductionFilter>(id);
   } else if (type == "polar") {
     return Filter::create<PolarFilter>(id);
   } else if (type == "surface") {
diff --git a/src/tallies/filter_delayedgroup.cpp b/src/tallies/filter_delayedgroup.cpp
index 01e39e554..46adf529b 100644
--- a/src/tallies/filter_delayedgroup.cpp
+++ b/src/tallies/filter_delayedgroup.cpp
@@ -27,7 +27,7 @@ void DelayedGroupFilter::set_groups(span<int> groups)
     } else if (group > MAX_DELAYED_GROUPS) {
       throw std::invalid_argument {
         "Encountered delayedgroup bin with index " + std::to_string(group) +
-        " which is greater than MAX_DELATED_GROUPS (" +
+        " which is greater than MAX_DELAYED_GROUPS (" +
         std::to_string(MAX_DELAYED_GROUPS) + ")"};
     }
     groups_.push_back(group);
@@ -39,6 +39,10 @@ void DelayedGroupFilter::set_groups(span<int> groups)
 void DelayedGroupFilter::get_all_bins(
   const Particle& p, TallyEstimator estimator, FilterMatch& match) const
 {
+  // Note that the bin is set to zero here, but bins outside zero are
+  // tallied to regardless. This is because that logic has to be handled
+  // in the scoring code instead where looping over the delayed
+  // group takes place (tally_scoring.cpp).
   match.bins_.push_back(0);
   match.weights_.push_back(1.0);
 }
diff --git a/src/tallies/filter_energy.cpp b/src/tallies/filter_energy.cpp
index 0b954cce3..0b039440a 100644
--- a/src/tallies/filter_energy.cpp
+++ b/src/tallies/filter_energy.cpp
@@ -117,6 +117,50 @@ std::string EnergyoutFilter::text_label(int bin) const
     "Outgoing Energy [{}, {})", bins_.at(bin), bins_.at(bin + 1));
 }
 
+//==============================================================================
+// ParticleProductionFilter implementation
+//==============================================================================
+
+void ParticleProductionFilter::get_all_bins(
+  const Particle& p, TallyEstimator estimator, FilterMatch& match) const
+{
+  int start_idx = p.secondary_bank_index();
+  int end_idx = start_idx + p.n_secondaries();
+
+  // Loop over secondary bank entries
+  for (int bank_idx = start_idx; bank_idx < end_idx; bank_idx++) {
+    // Check if this is the correct type of secondary, then match its energy if
+    // it's the right type
+    const auto& site = p.secondary_bank(bank_idx);
+    if (site.particle == secondary_type_) {
+      if (site.E >= bins_.front() && site.E <= bins_.back()) {
+        auto bin = lower_bound_index(bins_.begin(), bins_.end(), site.E);
+        match.bins_.push_back(bin);
+        match.weights_.push_back(site.wgt);
+      }
+    }
+  }
+}
+
+std::string ParticleProductionFilter::text_label(int bin) const
+{
+  return fmt::format("Secondary {}, Energy [{}, {})", secondary_type_.str(),
+    bins_.at(bin), bins_.at(bin + 1));
+}
+
+void ParticleProductionFilter::from_xml(pugi::xml_node node)
+{
+  EnergyFilter::from_xml(node);
+  std::string p = get_node_value(node, "particle");
+  secondary_type_ = ParticleType {p};
+}
+
+void ParticleProductionFilter::to_statepoint(hid_t filter_group) const
+{
+  EnergyFilter::to_statepoint(filter_group);
+  write_dataset(filter_group, "particle", secondary_type_.str());
+}
+
 //==============================================================================
 // C-API functions
 //==============================================================================
diff --git a/src/tallies/tally.cpp b/src/tallies/tally.cpp
index 2432f5c2f..8cdf3a905 100644
--- a/src/tallies/tally.cpp
+++ b/src/tallies/tally.cpp
@@ -171,6 +171,8 @@ Tally::Tally(pugi::xml_node node)
                filt_type == FilterType::ZERNIKE ||
                filt_type == FilterType::ZERNIKE_RADIAL) {
       estimator_ = TallyEstimator::COLLISION;
+    } else if (filt_type == FilterType::PARTICLE_PRODUCTION) {
+      estimator_ = TallyEstimator::ANALOG;
     }
   }
 
diff --git a/tests/regression_tests/model_xml/photon_production_inputs_true.dat b/tests/regression_tests/model_xml/photon_production_inputs_true.dat
index 07eebaa3e..cc618eaff 100644
--- a/tests/regression_tests/model_xml/photon_production_inputs_true.dat
+++ b/tests/regression_tests/model_xml/photon_production_inputs_true.dat
@@ -41,6 +41,16 @@
     <filter id="2" type="particle">
       <bins>neutron photon electron positron</bins>
     </filter>
+    <filter id="5" type="particle">
+      <bins>neutron</bins>
+    </filter>
+    <filter id="3" type="energy">
+      <bins>0.0 20000000.0</bins>
+    </filter>
+    <filter id="4" type="particleproduction">
+      <bins>0.0 100000.0 300000.0 500000.0 2000000.0 20000000.0</bins>
+      <particle>photon</particle>
+    </filter>
     <tally id="1">
       <filters>1 2</filters>
       <scores>current</scores>
@@ -63,5 +73,10 @@
       <scores>total heating (n,gamma)</scores>
       <estimator>analog</estimator>
     </tally>
+    <tally id="5">
+      <filters>5 3 4</filters>
+      <scores>events</scores>
+      <estimator>analog</estimator>
+    </tally>
   </tallies>
 </model>
diff --git a/tests/regression_tests/photon_production/inputs_true.dat b/tests/regression_tests/photon_production/inputs_true.dat
index 07eebaa3e..cc618eaff 100644
--- a/tests/regression_tests/photon_production/inputs_true.dat
+++ b/tests/regression_tests/photon_production/inputs_true.dat
@@ -41,6 +41,16 @@
     <filter id="2" type="particle">
       <bins>neutron photon electron positron</bins>
     </filter>
+    <filter id="5" type="particle">
+      <bins>neutron</bins>
+    </filter>
+    <filter id="3" type="energy">
+      <bins>0.0 20000000.0</bins>
+    </filter>
+    <filter id="4" type="particleproduction">
+      <bins>0.0 100000.0 300000.0 500000.0 2000000.0 20000000.0</bins>
+      <particle>photon</particle>
+    </filter>
     <tally id="1">
       <filters>1 2</filters>
       <scores>current</scores>
@@ -63,5 +73,10 @@
       <scores>total heating (n,gamma)</scores>
       <estimator>analog</estimator>
     </tally>
+    <tally id="5">
+      <filters>5 3 4</filters>
+      <scores>events</scores>
+      <estimator>analog</estimator>
+    </tally>
   </tallies>
 </model>
diff --git a/tests/regression_tests/photon_production/results_true.dat b/tests/regression_tests/photon_production/results_true.dat
index 413f6f0ca..ec319aa0e 100644
--- a/tests/regression_tests/photon_production/results_true.dat
+++ b/tests/regression_tests/photon_production/results_true.dat
@@ -138,3 +138,14 @@ tally 4:
 2.173936E+08
 0.000000E+00
 0.000000E+00
+tally 5:
+2.000000E-02
+4.000000E-04
+8.200000E-03
+6.724000E-05
+5.280000E-02
+2.787840E-03
+3.546000E-01
+1.257412E-01
+5.063000E-01
+2.563397E-01
diff --git a/tests/regression_tests/photon_production/test.py b/tests/regression_tests/photon_production/test.py
index 150448a12..65d0688e9 100644
--- a/tests/regression_tests/photon_production/test.py
+++ b/tests/regression_tests/photon_production/test.py
@@ -25,7 +25,8 @@ def model():
     inner_cyl_right.region = -cyl & +x_plane_center & -x_plane_right
     outer_cyl.region = ~(-cyl & +x_plane_left & -x_plane_right)
     inner_cyl_right.fill = mat
-    model.geometry = openmc.Geometry([inner_cyl_left, inner_cyl_right, outer_cyl])
+    model.geometry = openmc.Geometry(
+        [inner_cyl_left, inner_cyl_right, outer_cyl])
 
     source = openmc.IndependentSource()
     source.space = openmc.stats.Point((0, 0, 0))
@@ -38,17 +39,19 @@ def model():
     model.settings.batches = 1
     model.settings.photon_transport = True
     model.settings.electron_treatment = 'ttb'
-    model.settings.cutoff = {'energy_photon' : 1000.0}
+    model.settings.cutoff = {'energy_photon': 1000.0}
     model.settings.source = source
 
     surface_filter = openmc.SurfaceFilter(cyl)
-    particle_filter = openmc.ParticleFilter(['neutron', 'photon', 'electron', 'positron'])
+    particle_filter = openmc.ParticleFilter(
+        ['neutron', 'photon', 'electron', 'positron'])
     current_tally = openmc.Tally()
     current_tally.filters = [surface_filter, particle_filter]
     current_tally.scores = ['current']
     tally_tracklength = openmc.Tally()
     tally_tracklength.filters = [particle_filter]
-    tally_tracklength.scores = ['total', '(n,gamma)']  # heating doesn't work with tracklength
+    # heating doesn't work with tracklength
+    tally_tracklength.scores = ['total', '(n,gamma)']
     tally_tracklength.nuclides = ['Al27', 'total']
     tally_tracklength.estimator = 'tracklength'
     tally_collision = openmc.Tally()
@@ -61,8 +64,25 @@ def model():
     tally_analog.scores = ['total', 'heating', '(n,gamma)']
     tally_analog.nuclides = ['Al27', 'total']
     tally_analog.estimator = 'analog'
+
+    # This is an analog tally tracking the energy distribution of photons
+    # generated by neutrons. The sum of the tally should give the total
+    # number of photons generated per source neutron.
+    ene_filter = openmc.EnergyFilter([0.0, 20e6])  # incident neutron energy
+
+    # Track source energies of secondary gammas
+    ene2_filter = openmc.ParticleProductionFilter(
+        'photon', [0.0, 100e3, 300e3, 500e3, 2e6, 20e6])
+
+    neutron_only = openmc.ParticleFilter(['neutron'])
+    tally_gam_ene = openmc.Tally()
+    tally_gam_ene.filters = [neutron_only, ene_filter, ene2_filter]
+    tally_gam_ene.scores = ['events']
+    tally_gam_ene.estimator = 'analog'
+
     model.tallies.extend([current_tally, tally_tracklength,
-                          tally_collision, tally_analog])
+                          tally_collision, tally_analog,
+                          tally_gam_ene])
 
     return model
 
diff --git a/tests/unit_tests/test_filters.py b/tests/unit_tests/test_filters.py
index 8c56a310e..ba3226e3a 100644
--- a/tests/unit_tests/test_filters.py
+++ b/tests/unit_tests/test_filters.py
@@ -17,14 +17,16 @@ def box_model():
     model.settings.particles = 100
     model.settings.batches = 10
     model.settings.inactive = 0
-    model.settings.source = openmc.IndependentSource(space=openmc.stats.Point())
+    model.settings.source = openmc.IndependentSource(
+        space=openmc.stats.Point())
     return model
 
 
 def test_cell_instance():
     c1 = openmc.Cell()
     c2 = openmc.Cell()
-    f = openmc.CellInstanceFilter([(c1, 0), (c1, 1), (c1, 2), (c2, 0), (c2, 1)])
+    f = openmc.CellInstanceFilter(
+        [(c1, 0), (c1, 1), (c1, 2), (c2, 0), (c2, 1)])
 
     # Make sure __repr__ works
     repr(f)
@@ -234,7 +236,8 @@ def test_first_moment(run_in_tmpdir, box_model):
         flux, scatter = sp.tallies[plain_tally.id].mean.ravel()
 
         # Check that first moment matches
-        first_score = lambda t: sp.tallies[t.id].mean.ravel()[0]
+        def first_score(t):
+            return sp.tallies[t.id].mean.ravel()[0]
         assert first_score(leg_tally) == scatter
         assert first_score(leg_sptl_tally) == scatter
         assert first_score(sph_scat_tally) == scatter
@@ -258,7 +261,8 @@ def test_lethargy_bin_width():
     assert len(f.lethargy_bin_width) == 175
     energy_bins = openmc.mgxs.GROUP_STRUCTURES['VITAMIN-J-175']
     assert f.lethargy_bin_width[0] == np.log10(energy_bins[1]/energy_bins[0])
-    assert f.lethargy_bin_width[-1] == np.log10(energy_bins[-1]/energy_bins[-2])
+    assert f.lethargy_bin_width[-1] == np.log10(
+        energy_bins[-1]/energy_bins[-2])
 
 
 def test_energyfunc():
@@ -292,7 +296,8 @@ def test_tabular_from_energyfilter():
     # 'histogram' is the default
     assert tab.interpolation == 'histogram'
 
-    tab = efilter.get_tabular(values=np.array([10, 10, 5]), interpolation='linear-linear')
+    tab = efilter.get_tabular(values=np.array(
+        [10, 10, 5]), interpolation='linear-linear')
     assert tab.interpolation == 'linear-linear'
 
 
@@ -314,6 +319,38 @@ def test_energy_filter():
         openmc.EnergyFilter([-1.2, 0.25, 0.5])
 
 
+def test_particle_production_filter():
+    energy_bins = [1e3, 1e4, 1e5, 1e6]
+    f = openmc.ParticleProductionFilter('photon', energy_bins)
+
+    assert f.particle == openmc.ParticleType.PHOTON
+    assert f.num_bins == 3
+    assert f.bins.shape == (3, 2)
+    assert np.allclose(f.values, energy_bins)
+
+    # __repr__ check
+    repr(f)
+
+    # to_xml_element()
+    elem = f.to_xml_element()
+    assert elem.tag == 'filter'
+    assert elem.attrib['type'] == 'particleproduction'
+    assert elem.find('particle').text == 'photon'
+    assert elem.find('bins').text.split()[0] == str(energy_bins[0])
+
+    # from_xml_element()
+    new_f = openmc.Filter.from_xml_element(elem)
+    assert new_f.id == f.id
+    assert new_f.particle == f.particle
+    assert np.allclose(new_f.bins, f.bins)
+
+    # pandas output
+    df = f.get_pandas_dataframe(data_size=3, stride=1)
+    assert df.shape[0] == 3
+    assert "particleproduction low [eV]" in df.columns
+    assert "particleproduction high [eV]" in df.columns
+
+
 def test_weight():
     f = openmc.WeightFilter([0.01, 0.1, 1.0, 10.0])
     expected_bins = [[0.01, 0.1], [0.1, 1.0], [1.0, 10.0]]

From 6f625f3dea6c7d6b838d7b0a774a540b748b6996 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Fri, 6 Feb 2026 16:25:14 +0100
Subject: [PATCH 2506/2654] Precompute offsets in random ray source update
 (#3775)

---
 src/random_ray/flat_source_domain.cpp | 14 +++++++-------
 1 file changed, 7 insertions(+), 7 deletions(-)

diff --git a/src/random_ray/flat_source_domain.cpp b/src/random_ray/flat_source_domain.cpp
index d0c342bf5..32b334933 100644
--- a/src/random_ray/flat_source_domain.cpp
+++ b/src/random_ray/flat_source_domain.cpp
@@ -112,19 +112,19 @@ void FlatSourceDomain::update_single_neutron_source(SourceRegionHandle& srh)
   double density_mult = srh.density_mult();
   if (material != MATERIAL_VOID) {
     double inverse_k_eff = 1.0 / k_eff_;
+    int material_offset = material * negroups_;
+    int scatter_offset = material * negroups_ * negroups_;
     for (int g_out = 0; g_out < negroups_; g_out++) {
-      double sigma_t = sigma_t_[material * negroups_ + g_out] * density_mult;
+      double sigma_t = sigma_t_[material_offset + g_out] * density_mult;
       double scatter_source = 0.0;
       double fission_source = 0.0;
 
       for (int g_in = 0; g_in < negroups_; g_in++) {
         double scalar_flux = srh.scalar_flux_old(g_in);
-        double sigma_s = sigma_s_[material * negroups_ * negroups_ +
-                                  g_out * negroups_ + g_in] *
-                         density_mult;
-        double nu_sigma_f =
-          nu_sigma_f_[material * negroups_ + g_in] * density_mult;
-        double chi = chi_[material * negroups_ + g_out];
+        double sigma_s =
+          sigma_s_[scatter_offset + g_out * negroups_ + g_in] * density_mult;
+        double nu_sigma_f = nu_sigma_f_[material_offset + g_in] * density_mult;
+        double chi = chi_[material_offset + g_out];
 
         scatter_source += sigma_s * scalar_flux;
         if (settings::create_fission_neutrons) {

From 8a62a9711525cf1e0193e3ec448d653b090de979 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Fri, 6 Feb 2026 17:23:11 +0100
Subject: [PATCH 2507/2654] openmc.Tally creation from constructor (#3777)

---
 openmc/tallies.py              | 29 ++++++++++++++++++++++++++++-
 tests/unit_tests/test_tally.py | 19 +++++++++++++++++++
 2 files changed, 47 insertions(+), 1 deletion(-)
 create mode 100644 tests/unit_tests/test_tally.py

diff --git a/openmc/tallies.py b/openmc/tallies.py
index 74d4722af..151add2be 100644
--- a/openmc/tallies.py
+++ b/openmc/tallies.py
@@ -50,6 +50,18 @@ class Tally(IDManagerMixin):
         will automatically be assigned
     name : str, optional
         Name of the tally. If not specified, the name is the empty string.
+    scores : list of str, optional
+        List of scores, e.g. ['flux', 'fission']
+    filters : list of openmc.Filter, optional
+        List of filters for the tally
+    nuclides : list of str, optional
+        List of nuclides to score results for
+    estimator : {'analog', 'tracklength', 'collision'}, optional
+        Type of estimator for the tally
+    triggers : list of openmc.Trigger, optional
+        List of tally triggers
+    derivative : openmc.TallyDerivative, optional
+        A material perturbation derivative to apply to all scores in the tally
 
     Attributes
     ----------
@@ -124,7 +136,9 @@ class Tally(IDManagerMixin):
     next_id = 1
     used_ids = set()
 
-    def __init__(self, tally_id=None, name=''):
+    def __init__(self, tally_id=None, name='', scores=None, filters=None,
+                 nuclides=None, estimator=None, triggers=None,
+                 derivative=None):
         # Initialize Tally class attributes
         self.id = tally_id
         self.name = name
@@ -155,6 +169,19 @@ class Tally(IDManagerMixin):
         self._sp_filename = None
         self._results_read = False
 
+        if filters is not None:
+            self.filters = filters
+        if nuclides is not None:
+            self.nuclides = nuclides
+        if scores is not None:
+            self.scores = scores
+        if estimator is not None:
+            self.estimator = estimator
+        if triggers is not None:
+            self.triggers = triggers
+        if derivative is not None:
+            self.derivative = derivative
+
     def __eq__(self, other):
         if other.id != self.id:
             return False
diff --git a/tests/unit_tests/test_tally.py b/tests/unit_tests/test_tally.py
new file mode 100644
index 000000000..52647a36c
--- /dev/null
+++ b/tests/unit_tests/test_tally.py
@@ -0,0 +1,19 @@
+import openmc
+
+
+def test_tally_init_args():
+    """Test that Tally constructor kwargs are applied correctly."""
+    filter = openmc.EnergyFilter([0.0, 1.0, 20.0e6])
+    tally = openmc.Tally(
+        name='my tally',
+        scores=['flux', 'fission'],
+        filters=[filter],
+        nuclides=['U235'],
+        estimator='tracklength',
+    )
+
+    assert tally.name == 'my tally'
+    assert tally.scores == ['flux', 'fission']
+    assert tally.filters == [filter]
+    assert tally.nuclides == ['U235']
+    assert tally.estimator == 'tracklength'

From 14acc762bc0c3ce85b5c4045062304703afab59b Mon Sep 17 00:00:00 2001
From: Kevin Sawatzky <66632997+nuclearkevin@users.noreply.github.com>
Date: Fri, 6 Feb 2026 10:42:32 -0600
Subject: [PATCH 2508/2654] C-API bindings for key random ray functions (#3749)

---
 docs/source/capi/index.rst                    |   4 +
 docs/source/pythonapi/capi.rst                |   1 +
 include/openmc/capi.h                         |   1 +
 .../openmc/random_ray/random_ray_simulation.h |   3 +-
 openmc/lib/core.py                            |  13 ++
 src/finalize.cpp                              |   3 +-
 src/random_ray/random_ray_simulation.cpp      | 113 +++++++++---------
 tests/unit_tests/test_lib.py                  |  26 ++++
 8 files changed, 107 insertions(+), 57 deletions(-)

diff --git a/docs/source/capi/index.rst b/docs/source/capi/index.rst
index 2583d51df..0a1962f77 100644
--- a/docs/source/capi/index.rst
+++ b/docs/source/capi/index.rst
@@ -601,6 +601,10 @@ Functions
    :return: Return status (negative if an error occurs)
    :rtype: int
 
+.. c:function:: void openmc_run_random_ray()
+
+   Run a random ray simulation
+
 .. c:function:: int openmc_set_n_batches(int32_t n_batches, bool set_max_batches, bool add_statepoint_batch)
 
    Set number of batches and number of max batches
diff --git a/docs/source/pythonapi/capi.rst b/docs/source/pythonapi/capi.rst
index 67eca0094..6f18db56f 100644
--- a/docs/source/pythonapi/capi.rst
+++ b/docs/source/pythonapi/capi.rst
@@ -40,6 +40,7 @@ Functions
    reset_timers
    run
    run_in_memory
+   run_random_ray
    sample_external_source
    simulation_finalize
    simulation_init
diff --git a/include/openmc/capi.h b/include/openmc/capi.h
index 019a418a1..533ebb65a 100644
--- a/include/openmc/capi.h
+++ b/include/openmc/capi.h
@@ -140,6 +140,7 @@ int openmc_remove_tally(int32_t index);
 int openmc_reset();
 int openmc_reset_timers();
 int openmc_run();
+void openmc_run_random_ray();
 int openmc_sample_external_source(size_t n, uint64_t* seed, void* sites);
 void openmc_set_seed(int64_t new_seed);
 void openmc_set_stride(uint64_t new_stride);
diff --git a/include/openmc/random_ray/random_ray_simulation.h b/include/openmc/random_ray/random_ray_simulation.h
index 3db651069..68c7779ed 100644
--- a/include/openmc/random_ray/random_ray_simulation.h
+++ b/include/openmc/random_ray/random_ray_simulation.h
@@ -66,10 +66,9 @@ private:
 //! Non-member functions
 //============================================================================
 
-void openmc_run_random_ray();
 void validate_random_ray_inputs();
-void openmc_reset_random_ray();
 void print_adjoint_header();
+void openmc_finalize_random_ray();
 
 } // namespace openmc
 
diff --git a/openmc/lib/core.py b/openmc/lib/core.py
index 79310bb37..2764ddff1 100644
--- a/openmc/lib/core.py
+++ b/openmc/lib/core.py
@@ -82,6 +82,7 @@ _dll.openmc_properties_import.restype = c_int
 _dll.openmc_properties_import.errcheck = _error_handler
 _dll.openmc_run.restype = c_int
 _dll.openmc_run.errcheck = _error_handler
+_dll.openmc_run_random_ray.restype = None
 _dll.openmc_reset.restype = c_int
 _dll.openmc_reset.errcheck = _error_handler
 _dll.openmc_reset_timers.restype = c_int
@@ -479,6 +480,18 @@ def run(output=True):
         _dll.openmc_run()
 
 
+def run_random_ray(output=True):
+    """Run a random ray simulation
+
+    Parameters
+    ----------
+    output : bool, optional
+        Whether or not to show output. Defaults to showing output
+    """
+
+    with quiet_dll(output):
+        _dll.openmc_run_random_ray()
+
 def sample_external_source(
         n_samples: int = 1000,
         prn_seed: int | None = None
diff --git a/src/finalize.cpp b/src/finalize.cpp
index 344eaa1a0..ff5d79cb0 100644
--- a/src/finalize.cpp
+++ b/src/finalize.cpp
@@ -122,6 +122,7 @@ int openmc_finalize()
   settings::restart_run = false;
   settings::run_CE = true;
   settings::run_mode = RunMode::UNSET;
+  settings::solver_type = SolverType::MONTE_CARLO;
   settings::source_latest = false;
   settings::source_rejection_fraction = 0.05;
   settings::source_separate = false;
@@ -184,7 +185,7 @@ int openmc_finalize()
   }
 #endif
 
-  openmc_reset_random_ray();
+  openmc_finalize_random_ray();
 
   return 0;
 }
diff --git a/src/random_ray/random_ray_simulation.cpp b/src/random_ray/random_ray_simulation.cpp
index 7bab3a9b1..af3916e3f 100644
--- a/src/random_ray/random_ray_simulation.cpp
+++ b/src/random_ray/random_ray_simulation.cpp
@@ -1,5 +1,6 @@
 #include "openmc/random_ray/random_ray_simulation.h"
 
+#include "openmc/capi.h"
 #include "openmc/eigenvalue.h"
 #include "openmc/geometry.h"
 #include "openmc/message_passing.h"
@@ -22,49 +23,6 @@ namespace openmc {
 // Non-member functions
 //==============================================================================
 
-void openmc_run_random_ray()
-{
-  //////////////////////////////////////////////////////////
-  // Run forward simulation
-  //////////////////////////////////////////////////////////
-
-  if (mpi::master) {
-    if (FlatSourceDomain::adjoint_) {
-      FlatSourceDomain::adjoint_ = false;
-      openmc::print_adjoint_header();
-      FlatSourceDomain::adjoint_ = true;
-    }
-  }
-
-  // Initialize OpenMC general data structures
-  openmc_simulation_init();
-
-  // Validate that inputs meet requirements for random ray mode
-  if (mpi::master)
-    validate_random_ray_inputs();
-
-  // Initialize Random Ray Simulation Object
-  RandomRaySimulation sim;
-
-  // Initialize fixed sources, if present
-  sim.apply_fixed_sources_and_mesh_domains();
-
-  // Run initial random ray simulation
-  sim.simulate();
-
-  //////////////////////////////////////////////////////////
-  // Run adjoint simulation (if enabled)
-  //////////////////////////////////////////////////////////
-
-  if (sim.adjoint_needed_) {
-    // Setup for adjoint simulation
-    sim.prepare_adjoint_simulation();
-
-    // Run adjoint simulation
-    sim.simulate();
-  }
-}
-
 // Enforces restrictions on inputs in random ray mode.  While there are
 // many features that don't make sense in random ray mode, and are therefore
 // unsupported, we limit our testing/enforcement operations only to inputs
@@ -283,17 +241,6 @@ void validate_random_ray_inputs()
   }
 }
 
-void openmc_reset_random_ray()
-{
-  FlatSourceDomain::volume_estimator_ = RandomRayVolumeEstimator::HYBRID;
-  FlatSourceDomain::volume_normalized_flux_tallies_ = false;
-  FlatSourceDomain::adjoint_ = false;
-  FlatSourceDomain::mesh_domain_map_.clear();
-  RandomRay::ray_source_.reset();
-  RandomRay::source_shape_ = RandomRaySourceShape::FLAT;
-  RandomRay::sample_method_ = RandomRaySampleMethod::PRNG;
-}
-
 void print_adjoint_header()
 {
   if (!FlatSourceDomain::adjoint_)
@@ -670,4 +617,62 @@ void RandomRaySimulation::print_results_random_ray(
   }
 }
 
+void openmc_finalize_random_ray()
+{
+  FlatSourceDomain::volume_estimator_ = RandomRayVolumeEstimator::HYBRID;
+  FlatSourceDomain::volume_normalized_flux_tallies_ = false;
+  FlatSourceDomain::adjoint_ = false;
+  FlatSourceDomain::mesh_domain_map_.clear();
+  RandomRay::ray_source_.reset();
+  RandomRay::source_shape_ = RandomRaySourceShape::FLAT;
+  RandomRay::sample_method_ = RandomRaySampleMethod::PRNG;
+}
+
 } // namespace openmc
+
+//==============================================================================
+// C API functions
+//==============================================================================
+
+void openmc_run_random_ray()
+{
+  //////////////////////////////////////////////////////////
+  // Run forward simulation
+  //////////////////////////////////////////////////////////
+
+  if (openmc::mpi::master) {
+    if (openmc::FlatSourceDomain::adjoint_) {
+      openmc::FlatSourceDomain::adjoint_ = false;
+      openmc::print_adjoint_header();
+      openmc::FlatSourceDomain::adjoint_ = true;
+    }
+  }
+
+  // Initialize OpenMC general data structures
+  openmc_simulation_init();
+
+  // Validate that inputs meet requirements for random ray mode
+  if (openmc::mpi::master)
+    openmc::validate_random_ray_inputs();
+
+  // Initialize Random Ray Simulation Object
+  openmc::RandomRaySimulation sim;
+
+  // Initialize fixed sources, if present
+  sim.apply_fixed_sources_and_mesh_domains();
+
+  // Run initial random ray simulation
+  sim.simulate();
+
+  //////////////////////////////////////////////////////////
+  // Run adjoint simulation (if enabled)
+  //////////////////////////////////////////////////////////
+
+  if (sim.adjoint_needed_) {
+    // Setup for adjoint simulation
+    sim.prepare_adjoint_simulation();
+
+    // Run adjoint simulation
+    sim.simulate();
+  }
+}
diff --git a/tests/unit_tests/test_lib.py b/tests/unit_tests/test_lib.py
index e5a4d198e..3ec2a9ae4 100644
--- a/tests/unit_tests/test_lib.py
+++ b/tests/unit_tests/test_lib.py
@@ -5,6 +5,7 @@ import os
 import numpy as np
 import pytest
 import openmc
+from openmc.examples import random_ray_pin_cell
 import openmc.exceptions as exc
 import openmc.lib
 
@@ -83,6 +84,19 @@ def uo2_trigger_model():
         yield
 
 
+@pytest.fixture(scope='module')
+def random_ray_pincell_model():
+    """Set up a random ray model to test with and delete files when done"""
+    openmc.reset_auto_ids()
+    # Write XML and MGXS files in tmpdir
+    with cdtemp():
+        model = random_ray_pin_cell()
+        model.settings.batches = 200
+        model.settings.inactive = 50
+        model.settings.particles = 50
+        model.export_to_xml()
+        yield
+
 @pytest.fixture(scope='module')
 def lib_init(pincell_model, mpi_intracomm):
     openmc.lib.init(intracomm=mpi_intracomm)
@@ -1052,3 +1066,15 @@ def test_sample_external_source(run_in_tmpdir, mpi_intracomm):
     openmc.lib.init(["-c"])
     openmc.lib.sample_external_source(100)
     openmc.lib.finalize()
+
+
+def test_random_ray(random_ray_pincell_model, mpi_intracomm):
+    openmc.lib.finalize()
+    openmc.lib.init(intracomm=mpi_intracomm)
+    openmc.lib.simulation_init()
+    openmc.lib.run_random_ray()
+    keff = openmc.lib.keff()
+
+    assert keff[0]==pytest.approx(1.3236826574065745)
+
+    openmc.lib.finalize()

From a6324292676feba591ca58e52d2809a6f864607a Mon Sep 17 00:00:00 2001
From: Lewis Gross <43077972+lewisgross1296@users.noreply.github.com>
Date: Fri, 6 Feb 2026 11:32:32 -0600
Subject: [PATCH 2509/2654] Move distrib (mat, temp, dens) from XML attribute
 to subelement for better compatibility with very large instance lists (#3774)

---
 openmc/cell.py                                     | 14 +++++++++-----
 tests/regression_tests/distribmat/inputs_true.dat  |  4 +++-
 .../lattice_distribmat/True/inputs_true.dat        |  8 ++++++--
 .../lattice_distribrho/inputs_true.dat             |  4 +++-
 tests/regression_tests/multipole/inputs_true.dat   |  4 +++-
 .../random_ray_cell_density/eigen/inputs_true.dat  | 12 +++++++++---
 6 files changed, 33 insertions(+), 13 deletions(-)

diff --git a/openmc/cell.py b/openmc/cell.py
index 82a034b1c..945dff0db 100644
--- a/openmc/cell.py
+++ b/openmc/cell.py
@@ -636,8 +636,11 @@ class Cell(IDManagerMixin):
             element.set("material", str(self.fill.id))
 
         elif self.fill_type == 'distribmat':
-            element.set("material", ' '.join(['void' if m is None else str(m.id)
-                                              for m in self.fill]))
+            material_subelement= ET.SubElement(element, "material")
+            matlist_str = " ".join(
+                ["void" if m is None else str(m.id) for m in self.fill]
+            )
+            material_subelement.text = matlist_str
 
         elif self.fill_type in ('universe', 'lattice'):
             element.set("fill", str(self.fill.id))
@@ -677,14 +680,15 @@ class Cell(IDManagerMixin):
 
         if self.temperature is not None:
             if isinstance(self.temperature, Iterable):
-                element.set("temperature", ' '.join(
-                    str(t) for t in self.temperature))
+                temperature_subelement= ET.SubElement(element, "temperature")
+                temperature_subelement.text = ' '.join(str(t) for t in self.temperature)
             else:
                 element.set("temperature", str(self.temperature))
 
         if self.density is not None:
             if isinstance(self.density, Iterable):
-                element.set("density", ' '.join(str(t) for t in self.density))
+                density_subelement= ET.SubElement(element, "density")
+                density_subelement.text =  ' '.join(str(d) for d in self.density)
             else:
                 element.set("density", str(self.density))
 
diff --git a/tests/regression_tests/distribmat/inputs_true.dat b/tests/regression_tests/distribmat/inputs_true.dat
index 35b3b5b9f..8087d7564 100644
--- a/tests/regression_tests/distribmat/inputs_true.dat
+++ b/tests/regression_tests/distribmat/inputs_true.dat
@@ -17,7 +17,9 @@
   </materials>
   <geometry>
     <cell id="1" material="1" universe="1"/>
-    <cell id="11" material="2 void 3 2" region="-1" universe="11"/>
+    <cell id="11" region="-1" universe="11">
+      <material>2 void 3 2</material>
+    </cell>
     <cell id="12" material="1" region="1" universe="11"/>
     <cell id="101" fill="101" region="2 -3 4 -5" universe="0"/>
     <lattice id="101">
diff --git a/tests/regression_tests/lattice_distribmat/True/inputs_true.dat b/tests/regression_tests/lattice_distribmat/True/inputs_true.dat
index aec3a5400..ab827dfde 100644
--- a/tests/regression_tests/lattice_distribmat/True/inputs_true.dat
+++ b/tests/regression_tests/lattice_distribmat/True/inputs_true.dat
@@ -47,8 +47,12 @@
     </material>
   </materials>
   <geometry>
-    <cell id="8" material="1 2 3 4" region="-6" universe="8"/>
-    <cell id="9" material="5 6 7 8" region="6" universe="8"/>
+    <cell id="8" region="-6" universe="8">
+      <material>1 2 3 4</material>
+    </cell>
+    <cell id="9" region="6" universe="8">
+      <material>5 6 7 8</material>
+    </cell>
     <cell id="10" fill="9" region="7 -8 10 -12" universe="13"/>
     <cell id="11" fill="10" region="7 -8 12 -16" universe="13"/>
     <cell id="12" fill="11" region="8 -22 10 -12" universe="13"/>
diff --git a/tests/regression_tests/lattice_distribrho/inputs_true.dat b/tests/regression_tests/lattice_distribrho/inputs_true.dat
index 5031bea6e..99994af3d 100644
--- a/tests/regression_tests/lattice_distribrho/inputs_true.dat
+++ b/tests/regression_tests/lattice_distribrho/inputs_true.dat
@@ -14,7 +14,9 @@
     </material>
   </materials>
   <geometry>
-    <cell id="1" material="1" region="-1" density="10.0 20.0 10.0 20.0" universe="1"/>
+    <cell id="1" material="1" region="-1" universe="1">
+      <density>10.0 20.0 10.0 20.0</density>
+    </cell>
     <cell id="2" material="2" region="1" universe="1"/>
     <cell id="3" fill="2" region="2 -3 4 -5" universe="3"/>
     <lattice id="2">
diff --git a/tests/regression_tests/multipole/inputs_true.dat b/tests/regression_tests/multipole/inputs_true.dat
index 22a351240..3b78db77b 100644
--- a/tests/regression_tests/multipole/inputs_true.dat
+++ b/tests/regression_tests/multipole/inputs_true.dat
@@ -14,7 +14,9 @@
   </materials>
   <geometry>
     <cell id="1" material="1" universe="1"/>
-    <cell id="11" material="2" region="-1" temperature="500 700 0 800" universe="11"/>
+    <cell id="11" material="2" region="-1" universe="11">
+      <temperature>500 700 0 800</temperature>
+    </cell>
     <cell id="12" material="1" region="1" universe="11"/>
     <cell id="101" fill="101" region="2 -3 4 -5" universe="0"/>
     <lattice id="101">
diff --git a/tests/regression_tests/random_ray_cell_density/eigen/inputs_true.dat b/tests/regression_tests/random_ray_cell_density/eigen/inputs_true.dat
index 0dd354cf0..bcf4d0d90 100644
--- a/tests/regression_tests/random_ray_cell_density/eigen/inputs_true.dat
+++ b/tests/regression_tests/random_ray_cell_density/eigen/inputs_true.dat
@@ -12,9 +12,15 @@
     </material>
   </materials>
   <geometry>
-    <cell id="1" name="fuel inner a" material="1" region="-2" density="2.0 2.0 2.0 2.0 2.0 2.0 2.0 2.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0" universe="1"/>
-    <cell id="2" name="fuel inner b" material="1" region="2 -3" density="2.0 2.0 2.0 2.0 2.0 2.0 2.0 2.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0" universe="1"/>
-    <cell id="3" name="fuel inner c" material="1" region="3 -1" density="2.0 2.0 2.0 2.0 2.0 2.0 2.0 2.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0" universe="1"/>
+    <cell id="1" name="fuel inner a" material="1" region="-2" universe="1">
+      <density>2.0 2.0 2.0 2.0 2.0 2.0 2.0 2.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0</density>
+    </cell>
+    <cell id="2" name="fuel inner b" material="1" region="2 -3" universe="1">
+      <density>2.0 2.0 2.0 2.0 2.0 2.0 2.0 2.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0</density>
+    </cell>
+    <cell id="3" name="fuel inner c" material="1" region="3 -1" universe="1">
+      <density>2.0 2.0 2.0 2.0 2.0 2.0 2.0 2.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0</density>
+    </cell>
     <cell id="4" name="moderator inner a" material="2" region="1 -4" universe="1"/>
     <cell id="5" name="moderator outer b" material="2" region="4 -5" universe="1"/>
     <cell id="6" name="moderator outer c" material="2" region="5" universe="1"/>

From 04bee9c49fc95836cd0324992d69deed72aa1e09 Mon Sep 17 00:00:00 2001
From: GuySten <62616591+GuySten@users.noreply.github.com>
Date: Fri, 6 Feb 2026 20:44:16 +0200
Subject: [PATCH 2510/2654] Check that Surface IDs are at least 1 (#3772)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/mixin.py                   | 4 +++-
 openmc/surface.py                 | 1 +
 tests/unit_tests/test_cell.py     | 6 ++++++
 tests/unit_tests/test_material.py | 7 +++++++
 tests/unit_tests/test_surface.py  | 6 ++++++
 tests/unit_tests/test_universe.py | 6 ++++++
 6 files changed, 29 insertions(+), 1 deletion(-)

diff --git a/openmc/mixin.py b/openmc/mixin.py
index 0bc4128b0..28c97bfdd 100644
--- a/openmc/mixin.py
+++ b/openmc/mixin.py
@@ -39,6 +39,8 @@ class IDManagerMixin:
 
     """
 
+    min_id = 0
+
     @property
     def id(self):
         return self._id
@@ -64,7 +66,7 @@ class IDManagerMixin:
         else:
             name = cls.__name__
             cv.check_type(f'{name} ID', uid, Integral)
-            cv.check_greater_than(f'{name} ID', uid, 0, equality=True)
+            cv.check_greater_than(f'{name} ID', uid, cls.min_id, equality=True)
             if uid in cls.used_ids:
                 msg = f'Another {name} instance already exists with id={uid}.'
                 warn(msg, IDWarning)
diff --git a/openmc/surface.py b/openmc/surface.py
index 1fe5fabdf..97aca43b3 100644
--- a/openmc/surface.py
+++ b/openmc/surface.py
@@ -151,6 +151,7 @@ class Surface(IDManagerMixin, ABC):
 
     """
 
+    min_id = 1
     next_id = 1
     used_ids = set()
     _atol = 1.e-12
diff --git a/tests/unit_tests/test_cell.py b/tests/unit_tests/test_cell.py
index 60b205818..2baa59f1b 100644
--- a/tests/unit_tests/test_cell.py
+++ b/tests/unit_tests/test_cell.py
@@ -20,6 +20,12 @@ def test_contains():
     assert (10.0, -4., 2.0) in c
 
 
+def test_id():
+    openmc.Cell(cell_id=0)
+    with pytest.raises(ValueError):
+        openmc.Cell(cell_id=-1)
+
+
 def test_repr(cell_with_lattice):
     cells, mats, univ, lattice = cell_with_lattice
     repr(cells[0])  # cell with distributed materials
diff --git a/tests/unit_tests/test_material.py b/tests/unit_tests/test_material.py
index 764c98d41..0b1b5fce2 100644
--- a/tests/unit_tests/test_material.py
+++ b/tests/unit_tests/test_material.py
@@ -77,6 +77,13 @@ def test_add_components():
     with pytest.raises(ValueError):
         m.add_components({'H1': 1.0}, percent_type = 'oa')
 
+
+def test_id():
+    openmc.Material(material_id=0)
+    with pytest.raises(ValueError):
+        openmc.Material(material_id=-1)
+
+
 def test_nuclides_to_ignore(run_in_tmpdir):
     """Test nuclides_to_ignore when exporting a material to XML"""
     m = openmc.Material()
diff --git a/tests/unit_tests/test_surface.py b/tests/unit_tests/test_surface.py
index e9560223d..aaf591e05 100644
--- a/tests/unit_tests/test_surface.py
+++ b/tests/unit_tests/test_surface.py
@@ -7,6 +7,12 @@ import openmc
 import pytest
 
 
+def test_id():
+    for i in range(-10, 1):
+        with pytest.raises(ValueError):
+            openmc.Plane(a=1, b=2, c=-1, d=3, surface_id=i)
+
+
 def assert_infinite_bb(s):
     ll, ur = (-s).bounding_box
     assert np.all(np.isinf(ll))
diff --git a/tests/unit_tests/test_universe.py b/tests/unit_tests/test_universe.py
index 6fbf1cc38..0955347f7 100644
--- a/tests/unit_tests/test_universe.py
+++ b/tests/unit_tests/test_universe.py
@@ -49,6 +49,12 @@ def test_bounding_box():
     assert_unbounded(u)
 
 
+def test_id():
+    openmc.Universe(universe_id=0)
+    with pytest.raises(ValueError):
+        openmc.Universe(universe_id=-1)
+
+
 def test_plot(run_in_tmpdir, sphere_model):
 
     # model with -inf and inf in the bounding box

From 6efc9db7b3a6b6fc99da52c0f8791fa5bd843f0b Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Sun, 8 Feb 2026 12:11:19 -0600
Subject: [PATCH 2511/2654] Modifications to C++ plots for interactive raytrace
 plots (#3776)

---
 include/openmc/plot.h |  81 +++++++++++++-----
 src/plot.cpp          | 193 +++++++++++++++++++++++-------------------
 2 files changed, 170 insertions(+), 104 deletions(-)

diff --git a/include/openmc/plot.h b/include/openmc/plot.h
index 7e27679ea..02ff2848d 100644
--- a/include/openmc/plot.h
+++ b/include/openmc/plot.h
@@ -88,14 +88,21 @@ const RGBColor BLACK {0, 0, 0};
  * is designed to be implemented by classes that produce plot-relevant data
  * which can be visualized.
  */
+
+typedef xt::xtensor<RGBColor, 2> ImageData;
 class PlottableInterface {
+public:
+  PlottableInterface() = default;
+
+  void set_default_colors();
+
 private:
   void set_id(pugi::xml_node plot_node);
   int id_; // unique plot ID
 
   void set_bg_color(pugi::xml_node plot_node);
   void set_universe(pugi::xml_node plot_node);
-  void set_default_colors(pugi::xml_node plot_node);
+  void set_color_by(pugi::xml_node plot_node);
   void set_user_colors(pugi::xml_node plot_node);
   void set_overlap_color(pugi::xml_node plot_node);
   void set_mask(pugi::xml_node plot_node);
@@ -107,9 +114,15 @@ protected:
 public:
   enum class PlotColorBy { cells = 0, mats = 1 };
 
+  // Generates image data based on plot parameters and returns it
+  virtual ImageData create_image() const = 0;
+
   // Creates the output image named path_plot_
   virtual void create_output() const = 0;
 
+  // Write populated image data to file
+  void write_image(const ImageData& data) const;
+
   // Print useful info to the terminal
   virtual void print_info() const = 0;
 
@@ -117,20 +130,19 @@ public:
   std::string& path_plot() { return path_plot_; }
   int id() const { return id_; }
   int level() const { return level_; }
+  PlotColorBy color_by() const { return color_by_; }
 
   // Public color-related data
   PlottableInterface(pugi::xml_node plot_node);
   virtual ~PlottableInterface() = default;
-  int level_;                    // Universe level to plot
-  bool color_overlaps_;          // Show overlapping cells?
+  int level_ {-1};               // Universe level to plot
+  bool color_overlaps_ {false};  // Show overlapping cells?
   PlotColorBy color_by_;         // Plot coloring (cell/material)
   RGBColor not_found_ {WHITE};   // Plot background color
   RGBColor overlap_color_ {RED}; // Plot overlap color
   vector<RGBColor> colors_;      // Plot colors
 };
 
-typedef xt::xtensor<RGBColor, 2> ImageData;
-
 struct IdData {
   // Constructor
   IdData(size_t h_res, size_t v_res);
@@ -166,6 +178,11 @@ public:
 
   enum class PlotBasis { xy = 1, xz = 2, yz = 3 };
 
+  // Accessors
+
+  const std::array<size_t, 3>& pixels() const { return pixels_; }
+  std::array<size_t, 3>& pixels() { return pixels_; }
+
   // Members
 public:
   Position origin_;           //!< Plot origin in geometry
@@ -270,11 +287,11 @@ private:
 public:
   // Add mesh lines to ImageData
   void draw_mesh_lines(ImageData& data) const;
-  void create_image() const;
+  ImageData create_image() const override;
   void create_voxel() const;
 
-  virtual void create_output() const;
-  virtual void print_info() const;
+  void create_output() const override;
+  void print_info() const override;
 
   PlotType type_;                 //!< Plot type (Slice/Voxel)
   int meshlines_width_;           //!< Width of lines added to the plot
@@ -294,17 +311,32 @@ public:
  */
 class RayTracePlot : public PlottableInterface {
 public:
+  RayTracePlot() = default;
   RayTracePlot(pugi::xml_node plot);
 
   // Standard getters. No setting since it's done from XML.
   const Position& camera_position() const { return camera_position_; }
+  Position& camera_position() { return camera_position_; }
   const Position& look_at() const { return look_at_; }
+  Position& look_at() { return look_at_; }
+
   const double& horizontal_field_of_view() const
   {
     return horizontal_field_of_view_;
   }
+  double& horizontal_field_of_view() { return horizontal_field_of_view_; }
 
-  virtual void print_info() const;
+  void print_info() const override;
+
+  const std::array<int, 2>& pixels() const { return pixels_; }
+  std::array<int, 2>& pixels() { return pixels_; }
+
+  const Direction& up() const { return up_; }
+  Direction& up() { return up_; }
+
+  //! brief Updates the cached camera-to-model matrix after changes to
+  //! camera parameters.
+  void update_view();
 
 protected:
   Direction camera_x_axis() const
@@ -330,8 +362,6 @@ protected:
    */
   std::pair<Position, Direction> get_pixel_ray(int horiz, int vert) const;
 
-  std::array<int, 2> pixels_; // pixel dimension of resulting image
-
 private:
   void set_look_at(pugi::xml_node node);
   void set_camera_position(pugi::xml_node node);
@@ -341,8 +371,8 @@ private:
 
   double horizontal_field_of_view_ {70.0}; // horiz. f.o.v. in degrees
   Position camera_position_;               // where camera is
-  Position look_at_; // point camera is centered looking at
-
+  Position look_at_;             // point camera is centered looking at
+  std::array<int, 2> pixels_;    // pixel dimension of resulting image
   Direction up_ {0.0, 0.0, 1.0}; // which way is up
 
   /* The horizontal thickness, if using an orthographic projection.
@@ -377,8 +407,9 @@ class WireframeRayTracePlot : public RayTracePlot {
 public:
   WireframeRayTracePlot(pugi::xml_node plot);
 
-  virtual void create_output() const;
-  virtual void print_info() const;
+  ImageData create_image() const override;
+  void create_output() const override;
+  void print_info() const override;
 
 private:
   void set_opacities(pugi::xml_node node);
@@ -434,10 +465,22 @@ class SolidRayTracePlot : public RayTracePlot {
   friend class PhongRay;
 
 public:
+  SolidRayTracePlot() = default;
+
   SolidRayTracePlot(pugi::xml_node plot);
 
-  virtual void create_output() const;
-  virtual void print_info() const;
+  ImageData create_image() const override;
+  void create_output() const override;
+  void print_info() const override;
+
+  const std::unordered_set<int>& opaque_ids() const { return opaque_ids_; }
+  std::unordered_set<int>& opaque_ids() { return opaque_ids_; }
+
+  const Position& light_location() const { return light_location_; }
+  Position& light_location() { return light_location_; }
+
+  const double& diffuse_fraction() const { return diffuse_fraction_; }
+  double& diffuse_fraction() { return diffuse_fraction_; }
 
 private:
   void set_opaque_ids(pugi::xml_node node);
@@ -496,7 +539,7 @@ public:
     : Ray(r, u), plot_(plot), line_segments_(line_segments)
   {}
 
-  virtual void on_intersection() override;
+  void on_intersection() override;
 
 private:
   /* Store a reference to the plot object which is running this ray, in order
@@ -519,7 +562,7 @@ public:
     result_color_ = plot_.not_found_;
   }
 
-  virtual void on_intersection() override;
+  void on_intersection() override;
 
   const RGBColor& result_color() { return result_color_; }
 
diff --git a/src/plot.cpp b/src/plot.cpp
index 2cadc48ce..daeb0bde7 100644
--- a/src/plot.cpp
+++ b/src/plot.cpp
@@ -15,6 +15,7 @@
 #include <png.h>
 #endif
 
+#include "openmc/cell.h"
 #include "openmc/constants.h"
 #include "openmc/container_util.h"
 #include "openmc/dagmc.h"
@@ -123,11 +124,21 @@ extern "C" int openmc_plot_geometry()
   return 0;
 }
 
+void PlottableInterface::write_image(const ImageData& data) const
+{
+#ifdef USE_LIBPNG
+  output_png(path_plot(), data);
+#else
+  output_ppm(path_plot(), data);
+#endif
+}
+
 void Plot::create_output() const
 {
   if (PlotType::slice == type_) {
     // create 2D image
-    create_image();
+    ImageData image = create_image();
+    write_image(image);
   } else if (PlotType::voxel == type_) {
     // create voxel file for 3D viewing
     create_voxel();
@@ -170,9 +181,9 @@ void Plot::print_info() const
       fmt::print("Basis: YZ\n");
       break;
     }
-    fmt::print("Pixels: {} {}\n", pixels_[0], pixels_[1]);
+    fmt::print("Pixels: {} {}\n", pixels()[0], pixels()[1]);
   } else if (PlotType::voxel == type_) {
-    fmt::print("Voxels: {} {} {}\n", pixels_[0], pixels_[1], pixels_[2]);
+    fmt::print("Voxels: {} {} {}\n", pixels()[0], pixels()[1], pixels()[2]);
   }
 }
 
@@ -234,11 +245,10 @@ void free_memory_plot()
 
 // creates an image based on user input from a plots.xml <plot>
 // specification in the PNG/PPM format
-void Plot::create_image() const
+ImageData Plot::create_image() const
 {
-
-  size_t width = pixels_[0];
-  size_t height = pixels_[1];
+  size_t width = pixels()[0];
+  size_t height = pixels()[1];
 
   ImageData data({width, height}, not_found_);
 
@@ -275,12 +285,7 @@ void Plot::create_image() const
     draw_mesh_lines(data);
   }
 
-// create image file
-#ifdef USE_LIBPNG
-  output_png(path_plot(), data);
-#else
-  output_ppm(path_plot(), data);
-#endif
+  return data;
 }
 
 void PlottableInterface::set_id(pugi::xml_node plot_node)
@@ -348,17 +353,17 @@ void Plot::set_output_path(pugi::xml_node plot_node)
   vector<int> pxls = get_node_array<int>(plot_node, "pixels");
   if (PlotType::slice == type_) {
     if (pxls.size() == 2) {
-      pixels_[0] = pxls[0];
-      pixels_[1] = pxls[1];
+      pixels()[0] = pxls[0];
+      pixels()[1] = pxls[1];
     } else {
       fatal_error(
         fmt::format("<pixels> must be length 2 in slice plot {}", id()));
     }
   } else if (PlotType::voxel == type_) {
     if (pxls.size() == 3) {
-      pixels_[0] = pxls[0];
-      pixels_[1] = pxls[1];
-      pixels_[2] = pxls[2];
+      pixels()[0] = pxls[0];
+      pixels()[1] = pxls[1];
+      pixels()[2] = pxls[2];
     } else {
       fatal_error(
         fmt::format("<pixels> must be length 3 in voxel plot {}", id()));
@@ -447,23 +452,31 @@ void PlottableInterface::set_universe(pugi::xml_node plot_node)
   }
 }
 
-void PlottableInterface::set_default_colors(pugi::xml_node plot_node)
+void PlottableInterface::set_color_by(pugi::xml_node plot_node)
 {
-  // Copy plot color type and initialize all colors randomly
+  // Copy plot color type
   std::string pl_color_by = "cell";
   if (check_for_node(plot_node, "color_by")) {
     pl_color_by = get_node_value(plot_node, "color_by", true);
   }
   if ("cell" == pl_color_by) {
     color_by_ = PlotColorBy::cells;
-    colors_.resize(model::cells.size());
   } else if ("material" == pl_color_by) {
     color_by_ = PlotColorBy::mats;
-    colors_.resize(model::materials.size());
   } else {
     fatal_error(fmt::format(
       "Unsupported plot color type '{}' in plot {}", pl_color_by, id()));
   }
+}
+
+void PlottableInterface::set_default_colors()
+{
+  // Copy plot color type and initialize all colors randomly
+  if (PlotColorBy::cells == color_by_) {
+    colors_.resize(model::cells.size());
+  } else if (PlotColorBy::mats == color_by_) {
+    colors_.resize(model::materials.size());
+  }
 
   for (auto& c : colors_) {
     c = random_color();
@@ -710,7 +723,8 @@ PlottableInterface::PlottableInterface(pugi::xml_node plot_node)
   set_id(plot_node);
   set_bg_color(plot_node);
   set_universe(plot_node);
-  set_default_colors(plot_node);
+  set_color_by(plot_node);
+  set_default_colors();
   set_user_colors(plot_node);
   set_mask(plot_node);
   set_overlap_color(plot_node);
@@ -857,27 +871,27 @@ void Plot::draw_mesh_lines(ImageData& data) const
   int ax2_min, ax2_max;
   if (axis_lines.second.size() > 0) {
     double frac = (axis_lines.second.back() - ll_plot[ax2]) / width[ax2];
-    ax2_min = (1.0 - frac) * pixels_[1];
+    ax2_min = (1.0 - frac) * pixels()[1];
     if (ax2_min < 0)
       ax2_min = 0;
     frac = (axis_lines.second.front() - ll_plot[ax2]) / width[ax2];
-    ax2_max = (1.0 - frac) * pixels_[1];
-    if (ax2_max > pixels_[1])
-      ax2_max = pixels_[1];
+    ax2_max = (1.0 - frac) * pixels()[1];
+    if (ax2_max > pixels()[1])
+      ax2_max = pixels()[1];
   } else {
     ax2_min = 0;
-    ax2_max = pixels_[1];
+    ax2_max = pixels()[1];
   }
 
   // Iterate across the first axis and draw lines.
   for (auto ax1_val : axis_lines.first) {
     double frac = (ax1_val - ll_plot[ax1]) / width[ax1];
-    int ax1_ind = frac * pixels_[0];
+    int ax1_ind = frac * pixels()[0];
     for (int ax2_ind = ax2_min; ax2_ind < ax2_max; ++ax2_ind) {
       for (int plus = 0; plus <= meshlines_width_; plus++) {
-        if (ax1_ind + plus >= 0 && ax1_ind + plus < pixels_[0])
+        if (ax1_ind + plus >= 0 && ax1_ind + plus < pixels()[0])
           data(ax1_ind + plus, ax2_ind) = rgb;
-        if (ax1_ind - plus >= 0 && ax1_ind - plus < pixels_[0])
+        if (ax1_ind - plus >= 0 && ax1_ind - plus < pixels()[0])
           data(ax1_ind - plus, ax2_ind) = rgb;
       }
     }
@@ -887,27 +901,27 @@ void Plot::draw_mesh_lines(ImageData& data) const
   int ax1_min, ax1_max;
   if (axis_lines.first.size() > 0) {
     double frac = (axis_lines.first.front() - ll_plot[ax1]) / width[ax1];
-    ax1_min = frac * pixels_[0];
+    ax1_min = frac * pixels()[0];
     if (ax1_min < 0)
       ax1_min = 0;
     frac = (axis_lines.first.back() - ll_plot[ax1]) / width[ax1];
-    ax1_max = frac * pixels_[0];
-    if (ax1_max > pixels_[0])
-      ax1_max = pixels_[0];
+    ax1_max = frac * pixels()[0];
+    if (ax1_max > pixels()[0])
+      ax1_max = pixels()[0];
   } else {
     ax1_min = 0;
-    ax1_max = pixels_[0];
+    ax1_max = pixels()[0];
   }
 
   // Iterate across the second axis and draw lines.
   for (auto ax2_val : axis_lines.second) {
     double frac = (ax2_val - ll_plot[ax2]) / width[ax2];
-    int ax2_ind = (1.0 - frac) * pixels_[1];
+    int ax2_ind = (1.0 - frac) * pixels()[1];
     for (int ax1_ind = ax1_min; ax1_ind < ax1_max; ++ax1_ind) {
       for (int plus = 0; plus <= meshlines_width_; plus++) {
-        if (ax2_ind + plus >= 0 && ax2_ind + plus < pixels_[1])
+        if (ax2_ind + plus >= 0 && ax2_ind + plus < pixels()[1])
           data(ax1_ind, ax2_ind + plus) = rgb;
-        if (ax2_ind - plus >= 0 && ax2_ind - plus < pixels_[1])
+        if (ax2_ind - plus >= 0 && ax2_ind - plus < pixels()[1])
           data(ax1_ind, ax2_ind - plus) = rgb;
       }
     }
@@ -928,9 +942,9 @@ void Plot::create_voxel() const
 {
   // compute voxel widths in each direction
   array<double, 3> vox;
-  vox[0] = width_[0] / static_cast<double>(pixels_[0]);
-  vox[1] = width_[1] / static_cast<double>(pixels_[1]);
-  vox[2] = width_[2] / static_cast<double>(pixels_[2]);
+  vox[0] = width_[0] / static_cast<double>(pixels()[0]);
+  vox[1] = width_[1] / static_cast<double>(pixels()[1]);
+  vox[2] = width_[2] / static_cast<double>(pixels()[2]);
 
   // initial particle position
   Position ll = origin_ - width_ / 2.;
@@ -952,18 +966,18 @@ void Plot::create_voxel() const
 
   // Write current date and time
   write_attribute(file_id, "date_and_time", time_stamp().c_str());
-  array<int, 3> pixels;
-  std::copy(pixels_.begin(), pixels_.end(), pixels.begin());
-  write_attribute(file_id, "num_voxels", pixels);
+  array<int, 3> h5_pixels;
+  std::copy(pixels().begin(), pixels().end(), h5_pixels.begin());
+  write_attribute(file_id, "num_voxels", h5_pixels);
   write_attribute(file_id, "voxel_width", vox);
   write_attribute(file_id, "lower_left", ll);
 
   // Create dataset for voxel data -- note that the dimensions are reversed
   // since we want the order in the file to be z, y, x
   hsize_t dims[3];
-  dims[0] = pixels_[2];
-  dims[1] = pixels_[1];
-  dims[2] = pixels_[0];
+  dims[0] = pixels()[2];
+  dims[1] = pixels()[1];
+  dims[2] = pixels()[0];
   hid_t dspace, dset, memspace;
   voxel_init(file_id, &(dims[0]), &dspace, &dset, &memspace);
 
@@ -971,11 +985,11 @@ void Plot::create_voxel() const
   pltbase.width_ = width_;
   pltbase.origin_ = origin_;
   pltbase.basis_ = PlotBasis::xy;
-  pltbase.pixels_ = pixels_;
+  pltbase.pixels() = pixels();
   pltbase.slice_color_overlaps_ = color_overlaps_;
 
   ProgressBar pb;
-  for (int z = 0; z < pixels_[2]; z++) {
+  for (int z = 0; z < pixels()[2]; z++) {
     // update z coordinate
     pltbase.origin_.z = ll.z + z * vox[2];
 
@@ -993,7 +1007,7 @@ void Plot::create_voxel() const
 
     // update progress bar
     pb.set_value(
-      100. * static_cast<double>(z + 1) / static_cast<double>((pixels_[2])));
+      100. * static_cast<double>(z + 1) / static_cast<double>((pixels()[2])));
   }
 
   voxel_finalize(dspace, dset, memspace);
@@ -1052,7 +1066,10 @@ RayTracePlot::RayTracePlot(pugi::xml_node node) : PlottableInterface(node)
       check_for_node(node, "field_of_view"))
     fatal_error("orthographic_width and field_of_view are mutually exclusive "
                 "parameters.");
+}
 
+void RayTracePlot::update_view()
+{
   // Get centerline vector for camera-to-model. We create vectors around this
   // that form a pixel array, and then trace rays along that.
   auto up = up_ / up_.norm();
@@ -1079,6 +1096,7 @@ WireframeRayTracePlot::WireframeRayTracePlot(pugi::xml_node node)
   set_wireframe_thickness(node);
   set_wireframe_ids(node);
   set_wireframe_color(node);
+  update_view();
 }
 
 void WireframeRayTracePlot::set_wireframe_color(pugi::xml_node plot_node)
@@ -1182,8 +1200,8 @@ std::pair<Position, Direction> RayTracePlot::get_pixel_ray(
   // Compute field of view in radians
   constexpr double DEGREE_TO_RADIAN = M_PI / 180.0;
   double horiz_fov_radians = horizontal_field_of_view_ * DEGREE_TO_RADIAN;
-  double p0 = static_cast<double>(pixels_[0]);
-  double p1 = static_cast<double>(pixels_[1]);
+  double p0 = static_cast<double>(pixels()[0]);
+  double p1 = static_cast<double>(pixels()[1]);
   double vert_fov_radians = horiz_fov_radians * p1 / p0;
 
   // focal_plane_dist can be changed to alter the perspective distortion
@@ -1219,10 +1237,10 @@ std::pair<Position, Direction> RayTracePlot::get_pixel_ray(
   return result;
 }
 
-void WireframeRayTracePlot::create_output() const
+ImageData WireframeRayTracePlot::create_image() const
 {
-  size_t width = pixels_[0];
-  size_t height = pixels_[1];
+  size_t width = pixels()[0];
+  size_t height = pixels()[1];
   ImageData data({width, height}, not_found_);
 
   // This array marks where the initial wireframe was drawn. We convolve it with
@@ -1245,11 +1263,11 @@ void WireframeRayTracePlot::create_output() const
   std::vector<std::vector<std::vector<TrackSegment>>> this_line_segments(
     n_threads);
   for (int t = 0; t < n_threads; ++t) {
-    this_line_segments[t].resize(pixels_[0]);
+    this_line_segments[t].resize(pixels()[0]);
   }
 
   // The last thread writes to this, and the first thread reads from it.
-  std::vector<std::vector<TrackSegment>> old_segments(pixels_[0]);
+  std::vector<std::vector<TrackSegment>> old_segments(pixels()[0]);
 
 #pragma omp parallel
   {
@@ -1257,7 +1275,7 @@ void WireframeRayTracePlot::create_output() const
     const int tid = thread_num();
 
     int vert = tid;
-    for (int iter = 0; iter <= pixels_[1] / n_threads; iter++) {
+    for (int iter = 0; iter <= pixels()[1] / n_threads; iter++) {
 
       // Save bottom line of current work chunk to compare against later. This
       // used to be inside the below if block, but it causes a spurious line to
@@ -1266,9 +1284,9 @@ void WireframeRayTracePlot::create_output() const
       if (tid == n_threads - 1)
         old_segments = this_line_segments[n_threads - 1];
 
-      if (vert < pixels_[1]) {
+      if (vert < pixels()[1]) {
 
-        for (int horiz = 0; horiz < pixels_[0]; ++horiz) {
+        for (int horiz = 0; horiz < pixels()[0]; ++horiz) {
 
           // RayTracePlot implements camera ray generation
           std::pair<Position, Direction> ru = get_pixel_ray(horiz, vert);
@@ -1330,7 +1348,7 @@ void WireframeRayTracePlot::create_output() const
       // Now that the horizontal line has finished rendering, we can fill in
       // wireframe entries that require comparison among all the threads. Hence
       // the omp barrier being used. It has to be OUTSIDE any if blocks!
-      if (vert < pixels_[1]) {
+      if (vert < pixels()[1]) {
         // Loop over horizontal pixels, checking intersection stack of upper
         // neighbor
 
@@ -1340,7 +1358,7 @@ void WireframeRayTracePlot::create_output() const
         else
           top_cmp = &this_line_segments[tid - 1];
 
-        for (int horiz = 0; horiz < pixels_[0]; ++horiz) {
+        for (int horiz = 0; horiz < pixels()[0]; ++horiz) {
           if (!trackstack_equivalent(
                 this_line_segments[tid][horiz], (*top_cmp)[horiz])) {
             wireframe_initial(horiz, vert) = 1;
@@ -1357,8 +1375,8 @@ void WireframeRayTracePlot::create_output() const
   } // end omp parallel
 
   // Now thicken the wireframe lines and apply them to our image
-  for (int vert = 0; vert < pixels_[1]; ++vert) {
-    for (int horiz = 0; horiz < pixels_[0]; ++horiz) {
+  for (int vert = 0; vert < pixels()[1]; ++vert) {
+    for (int horiz = 0; horiz < pixels()[0]; ++horiz) {
       if (wireframe_initial(horiz, vert)) {
         if (wireframe_thickness_ == 1)
           data(horiz, vert) = wireframe_color_;
@@ -1369,19 +1387,21 @@ void WireframeRayTracePlot::create_output() const
             if (i * i + j * j < wireframe_thickness_ * wireframe_thickness_) {
 
               // Check if wireframe pixel is out of bounds
-              int w_i = std::max(std::min(horiz + i, pixels_[0] - 1), 0);
-              int w_j = std::max(std::min(vert + j, pixels_[1] - 1), 0);
+              int w_i = std::max(std::min(horiz + i, pixels()[0] - 1), 0);
+              int w_j = std::max(std::min(vert + j, pixels()[1] - 1), 0);
               data(w_i, w_j) = wireframe_color_;
             }
       }
     }
   }
 
-#ifdef USE_LIBPNG
-  output_png(path_plot(), data);
-#else
-  output_ppm(path_plot(), data);
-#endif
+  return data;
+}
+
+void WireframeRayTracePlot::create_output() const
+{
+  ImageData data = create_image();
+  write_image(data);
 }
 
 void RayTracePlot::print_info() const
@@ -1391,7 +1411,7 @@ void RayTracePlot::print_info() const
   fmt::print("Look at: {} {} {}\n", look_at_.x, look_at_.y, look_at_.z);
   fmt::print(
     "Horizontal field of view: {} degrees\n", horizontal_field_of_view_);
-  fmt::print("Pixels: {} {}\n", pixels_[0], pixels_[1]);
+  fmt::print("Pixels: {} {}\n", pixels()[0], pixels()[1]);
 }
 
 void WireframeRayTracePlot::print_info() const
@@ -1473,8 +1493,8 @@ void RayTracePlot::set_pixels(pugi::xml_node node)
   if (pxls.size() != 2)
     fatal_error(
       fmt::format("<pixels> must be length 2 in projection plot {}", id()));
-  pixels_[0] = pxls[0];
-  pixels_[1] = pxls[1];
+  pixels()[0] = pxls[0];
+  pixels()[1] = pxls[1];
 }
 
 void RayTracePlot::set_camera_position(pugi::xml_node node)
@@ -1521,6 +1541,7 @@ SolidRayTracePlot::SolidRayTracePlot(pugi::xml_node node) : RayTracePlot(node)
   set_opaque_ids(node);
   set_diffuse_fraction(node);
   set_light_position(node);
+  update_view();
 }
 
 void SolidRayTracePlot::print_info() const
@@ -1529,15 +1550,15 @@ void SolidRayTracePlot::print_info() const
   RayTracePlot::print_info();
 }
 
-void SolidRayTracePlot::create_output() const
+ImageData SolidRayTracePlot::create_image() const
 {
-  size_t width = pixels_[0];
-  size_t height = pixels_[1];
+  size_t width = pixels()[0];
+  size_t height = pixels()[1];
   ImageData data({width, height}, not_found_);
 
 #pragma omp parallel for schedule(dynamic) collapse(2)
-  for (int horiz = 0; horiz < pixels_[0]; ++horiz) {
-    for (int vert = 0; vert < pixels_[1]; ++vert) {
+  for (int horiz = 0; horiz < pixels()[0]; ++horiz) {
+    for (int vert = 0; vert < pixels()[1]; ++vert) {
       // RayTracePlot implements camera ray generation
       std::pair<Position, Direction> ru = get_pixel_ray(horiz, vert);
       PhongRay ray(ru.first, ru.second, *this);
@@ -1546,11 +1567,13 @@ void SolidRayTracePlot::create_output() const
     }
   }
 
-#ifdef USE_LIBPNG
-  output_png(path_plot(), data);
-#else
-  output_ppm(path_plot(), data);
-#endif
+  return data;
+}
+
+void SolidRayTracePlot::create_output() const
+{
+  ImageData data = create_image();
+  write_image(data);
 }
 
 void SolidRayTracePlot::set_opaque_ids(pugi::xml_node node)

From d0346e94acf403d58377cfe8b205419cd969a11d Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Sun, 8 Feb 2026 16:22:39 -0600
Subject: [PATCH 2512/2654] Install parallel h5py with no build isolation
 (#3782)

---
 src/finalize.cpp        | 2 ++
 tools/ci/gha-install.sh | 4 +++-
 2 files changed, 5 insertions(+), 1 deletion(-)

diff --git a/src/finalize.cpp b/src/finalize.cpp
index ff5d79cb0..5ca9d5746 100644
--- a/src/finalize.cpp
+++ b/src/finalize.cpp
@@ -14,6 +14,7 @@
 #include "openmc/material.h"
 #include "openmc/mesh.h"
 #include "openmc/message_passing.h"
+#include "openmc/mgxs_interface.h"
 #include "openmc/nuclide.h"
 #include "openmc/photon.h"
 #include "openmc/plot.h"
@@ -163,6 +164,7 @@ int openmc_finalize()
   data::energy_min = {0.0, 0.0, 0.0, 0.0};
   data::temperature_min = 0.0;
   data::temperature_max = INFTY;
+  data::mg = {};
   model::root_universe = -1;
   model::plotter_seed = 1;
   openmc::openmc_set_seed(DEFAULT_SEED);
diff --git a/tools/ci/gha-install.sh b/tools/ci/gha-install.sh
index 74c3947f1..cccac866c 100755
--- a/tools/ci/gha-install.sh
+++ b/tools/ci/gha-install.sh
@@ -39,7 +39,9 @@ if [[ $MPI == 'y' ]]; then
     export CC=mpicc
     export HDF5_MPI=ON
     export HDF5_DIR=/usr/lib/x86_64-linux-gnu/hdf5/mpich
-    pip install --no-binary=h5py h5py
+    # Install h5py without build isolation to pick up already installed mpi4py
+    pip install Cython pkgconfig
+    pip install --no-build-isolation --no-binary=h5py h5py
 fi
 
 # Build and install OpenMC executable

From 4f4930b63395a6ea6b83a52bdd807e3939bbd59e Mon Sep 17 00:00:00 2001
From: Kevin Sawatzky <66632997+nuclearkevin@users.noreply.github.com>
Date: Mon, 9 Feb 2026 16:54:59 -0600
Subject: [PATCH 2513/2654] Temperature feedback support in the random ray
 solver. (#3737)

---
 docs/source/usersguide/geometry.rst           |  22 +
 docs/source/usersguide/random_ray.rst         |  18 +-
 include/openmc/mgxs.h                         |   5 +
 .../openmc/random_ray/flat_source_domain.h    |   9 +-
 include/openmc/random_ray/random_ray.h        |   1 +
 include/openmc/random_ray/source_region.h     |  13 +-
 openmc/examples.py                            | 117 +++-
 openmc/mgxs/library.py                        |  99 +++-
 openmc/mgxs_library.py                        |  69 +++
 openmc/model/model.py                         | 529 +++++++++++++++---
 src/mgxs_interface.cpp                        |  12 +-
 src/random_ray/flat_source_domain.cpp         | 215 ++++---
 src/random_ray/linear_source_domain.cpp       |  19 +-
 src/random_ray/random_ray.cpp                 |   9 +-
 src/random_ray/random_ray_simulation.cpp      |   4 -
 src/random_ray/source_region.cpp              |  13 +-
 .../__init__.py                               |   0
 .../infinite_medium/inputs_true.dat           |  70 +++
 .../infinite_medium/results_true.dat          |   2 +
 .../material_wise/inputs_true.dat             |  70 +++
 .../material_wise/results_true.dat            |   2 +
 .../stochastic_slab/inputs_true.dat           |  70 +++
 .../stochastic_slab/results_true.dat          |   2 +
 .../test.py                                   |  73 +++
 .../random_ray_cell_density/test.py           |   2 +-
 .../random_ray_cell_temperature/__init__.py   |   0
 .../inputs_true.dat                           | 118 ++++
 .../results_true.dat                          | 171 ++++++
 .../random_ray_cell_temperature/test.py       |  36 ++
 29 files changed, 1515 insertions(+), 255 deletions(-)
 create mode 100644 tests/regression_tests/random_ray_auto_convert_temperature/__init__.py
 create mode 100644 tests/regression_tests/random_ray_auto_convert_temperature/infinite_medium/inputs_true.dat
 create mode 100644 tests/regression_tests/random_ray_auto_convert_temperature/infinite_medium/results_true.dat
 create mode 100644 tests/regression_tests/random_ray_auto_convert_temperature/material_wise/inputs_true.dat
 create mode 100644 tests/regression_tests/random_ray_auto_convert_temperature/material_wise/results_true.dat
 create mode 100644 tests/regression_tests/random_ray_auto_convert_temperature/stochastic_slab/inputs_true.dat
 create mode 100644 tests/regression_tests/random_ray_auto_convert_temperature/stochastic_slab/results_true.dat
 create mode 100644 tests/regression_tests/random_ray_auto_convert_temperature/test.py
 create mode 100644 tests/regression_tests/random_ray_cell_temperature/__init__.py
 create mode 100644 tests/regression_tests/random_ray_cell_temperature/inputs_true.dat
 create mode 100644 tests/regression_tests/random_ray_cell_temperature/results_true.dat
 create mode 100644 tests/regression_tests/random_ray_cell_temperature/test.py

diff --git a/docs/source/usersguide/geometry.rst b/docs/source/usersguide/geometry.rst
index 3224d5fff..8f83b9b08 100644
--- a/docs/source/usersguide/geometry.rst
+++ b/docs/source/usersguide/geometry.rst
@@ -248,6 +248,28 @@ The classes :class:`Halfspace`, :class:`Intersection`, :class:`Union`, and
 :class:`Complement` and all instances of :class:`openmc.Region` and can be
 assigned to the :attr:`Cell.region` attribute.
 
+Cells also contain :attr:`Cell.temperature` and :attr:`Cell.density`
+attributes which override the temperature and density of the fill. These can
+be quite useful when temperatures and densities are spatially varying, as the
+alternative would be to add a unique :class:`Material` for each permutation of
+temperature, density, and composition. You can set the temperature (K) and
+density (g/cc) of a cell like so::
+
+  fuel.temperature = 800.0
+  fuel.density = 10.0
+
+The real utility of cell temperatures and densities occurs when a cell is
+replicated across the geometry, such as when a cell is the root geometric element
+in a replicated :ref:`universe<usersguide_universes>` or :ref:`lattice
+<usersguide_lattices>`. In those cases, you can provide a list of temperatures
+and densities to apply a temperature/density field to all of the distributed cells::
+
+  fuel.temperature = [800.0, 900.0, 800.0, 900.0]
+  fuel.density = [10.0, 9.0, 10.0, 9.0]
+
+In this example, the fuel cell is distributed four times in the geometry. Each
+distributed instance then receives its own temperature and density.
+
 .. _usersguide_universes:
 
 ---------
diff --git a/docs/source/usersguide/random_ray.rst b/docs/source/usersguide/random_ray.rst
index 64ef7de6d..0c9a04028 100644
--- a/docs/source/usersguide/random_ray.rst
+++ b/docs/source/usersguide/random_ray.rst
@@ -646,7 +646,9 @@ model to use these multigroup cross sections. An example is given below::
       overwrite_mgxs_library=False,
       mgxs_path="mgxs.h5",
       correction=None,
-      source_energy=None
+      source_energy=None,
+      temperatures=None,
+      temperature_settings=None
   )
 
 The most important parameter to set is the ``method`` parameter, which can be
@@ -733,6 +735,20 @@ distribution for MGXS generation as::
 
   source_energy = openmc.stats.delta_function(2.45e6)
 
+The ``temperatures`` parameter can be provided if temperature-dependent
+multi-group cross sections are desired for multi-physics simulations. An
+individual cross section generation calculation is run for each temperature
+provided, where the materials in the model are set to the temperature. The
+temperature settings used during cross section generation can be specified with the
+``temperature_settings`` parameter. If no ``temperature_settings`` are provided,
+the settings contained in the model will be used. The valid keys and values in the
+``temperature_settings`` dictionary are identical to
+:attr:`openmc.Settings.temperature_settings`; more information can be found in
+:class:`openmc.Settings` . This approach yields isothermal cross section interpolation
+tables, which can be inaccurate for systems with large differences between temperatures
+in each material (often the case in fission reactors). If a more sophisticated
+temperature-dependence is required, we recommend generating cross sections manually.
+
 Ultimately, the methods described above are all just approximations.
 Approximations in the generated MGXS data will fundamentally limit the potential
 accuracy of the random ray solver. However, the methods described above are all
diff --git a/include/openmc/mgxs.h b/include/openmc/mgxs.h
index 9b1602f29..43505f432 100644
--- a/include/openmc/mgxs.h
+++ b/include/openmc/mgxs.h
@@ -113,6 +113,11 @@ public:
     const vector<Mgxs*>& micros, const vector<double>& atom_densities,
     int num_group, int num_delay);
 
+  //! \brief Get the number of temperature data points.
+  //!
+  //! @return The number of temperature data points for this MGXS
+  inline int n_temperature_points() { return kTs.size(); }
+
   //! \brief Provides a cross section value given certain parameters
   //!
   //! @param xstype Type of cross section requested, according to the
diff --git a/include/openmc/random_ray/flat_source_domain.h b/include/openmc/random_ray/flat_source_domain.h
index 0d4086966..693093683 100644
--- a/include/openmc/random_ray/flat_source_domain.h
+++ b/include/openmc/random_ray/flat_source_domain.h
@@ -100,17 +100,18 @@ public:
   // in model::cells
   vector<int64_t> source_region_offsets_;
 
-  // 2D arrays stored in 1D representing values for all materials x energy
-  // groups
+  // 3D arrays stored in 1D representing values for all materials x temperature
+  // points x energy groups
   int n_materials_;
+  int ntemperature_;
   vector<double> sigma_t_;
   vector<double> nu_sigma_f_;
   vector<double> sigma_f_;
   vector<double> chi_;
   vector<double> kappa_fission_;
 
-  // 3D arrays stored in 1D representing values for all materials x energy
-  // groups x energy groups
+  // 4D arrays stored in 1D representing values for all materials x temperature
+  // points x energy groups x energy groups
   vector<double> sigma_s_;
 
   // The abstract container holding all source region-specific data
diff --git a/include/openmc/random_ray/random_ray.h b/include/openmc/random_ray/random_ray.h
index 40c67ef95..7fd68b83e 100644
--- a/include/openmc/random_ray/random_ray.h
+++ b/include/openmc/random_ray/random_ray.h
@@ -65,6 +65,7 @@ private:
   vector<double> mesh_fractional_lengths_;
 
   int negroups_;
+  int ntemperature_;
   FlatSourceDomain* domain_ {nullptr}; // pointer to domain that has flat source
                                        // data needed for ray transport
   double distance_travelled_ {0};
diff --git a/include/openmc/random_ray/source_region.h b/include/openmc/random_ray/source_region.h
index c20d46abe..65f2e6bc4 100644
--- a/include/openmc/random_ray/source_region.h
+++ b/include/openmc/random_ray/source_region.h
@@ -146,6 +146,7 @@ public:
 
   // Scalar fields
   int* material_;
+  int* temperature_idx_;
   double* density_mult_;
   int* is_small_;
   int* n_hits_;
@@ -199,6 +200,9 @@ public:
   double& density_mult() { return *density_mult_; }
   const double density_mult() const { return *density_mult_; }
 
+  int& temperature_idx() { return *temperature_idx_; }
+  const int temperature_idx() const { return *temperature_idx_; }
+
   int& is_small() { return *is_small_; }
   const int is_small() const { return *is_small_; }
 
@@ -319,8 +323,9 @@ public:
 
   //---------------------------------------
   // Scalar fields
-
-  int material_ {0};          //!< Index in openmc::model::materials array
+  int material_ {0}; //!< Index in openmc::model::materials array
+  int temperature_idx_ {
+    0}; //!< Index into the MGXS array representing temperature
   double density_mult_ {1.0}; //!< A density multiplier queried from the cell
                               //!< corresponding to the source region.
   OpenMPMutex lock_;
@@ -400,6 +405,9 @@ public:
   int& material(int64_t sr) { return material_[sr]; }
   const int material(int64_t sr) const { return material_[sr]; }
 
+  int& temperature_idx(int64_t sr) { return temperature_idx_[sr]; }
+  const int temperature_idx(int64_t sr) const { return temperature_idx_[sr]; }
+
   double& density_mult(int64_t sr) { return density_mult_[sr]; }
   const double density_mult(int64_t sr) const { return density_mult_[sr]; }
 
@@ -634,6 +642,7 @@ private:
 
   // SoA storage for scalar fields (one item per source region)
   vector<int> material_;
+  vector<int> temperature_idx_;
   vector<double> density_mult_;
   vector<int> is_small_;
   vector<int> n_hits_;
diff --git a/openmc/examples.py b/openmc/examples.py
index 350a4d24d..f7f2bd48d 100644
--- a/openmc/examples.py
+++ b/openmc/examples.py
@@ -656,10 +656,19 @@ def slab_mg(num_regions=1, mat_names=None, mgxslib_name='2g.h5') -> openmc.Model
     return model
 
 
-def _generate_c5g7_materials() -> openmc.Materials:
+def _generate_c5g7_materials(second_temp = False) -> openmc.Materials:
     """Generate materials utilizing multi-group cross sections based on the
     the C5G7 Benchmark.
 
+    Parameters
+    ----------
+    second_temp : bool, optional
+        Whether or not the cross sections should contain two temperature datapoints.
+        The first data point is the C5G7 cross sections, which corresponds to a temperature
+        of 294 K. The second data point is the C5G7 cross sections multiplied by 1/2,
+        which corresponds to a temperature of 394 K. This temperature dependence is
+        fictitious; it is used for testing temperature feedback in the random ray solver.
+
     Returns
     -------
     materials : openmc.Materials
@@ -672,9 +681,45 @@ def _generate_c5g7_materials() -> openmc.Materials:
     assembly transport calculations without spatial homogenization"
     """
     # Instantiate the energy group data
+    # MGXS for the UO2 pins.
     group_edges = [1e-5, 0.0635, 10.0, 1.0e2, 1.0e3, 0.5e6, 1.0e6, 20.0e6]
     groups = openmc.mgxs.EnergyGroups(group_edges)
 
+    uo2_total = np.array([0.1779492, 0.3298048, 0.4803882, 0.5543674, 0.3118013, 0.3951678,
+                          0.5644058])
+    uo2_abs = np.array([8.0248e-03, 3.7174e-03, 2.6769e-02, 9.6236e-02, 3.0020e-02,
+                        1.1126e-01, 2.8278e-01])
+    uo2_scatter_matrix = np.array(
+        [[[0.1275370, 0.0423780, 0.0000094, 0.0000000, 0.0000000, 0.0000000, 0.0000000],
+          [0.0000000, 0.3244560, 0.0016314, 0.0000000, 0.0000000, 0.0000000, 0.0000000],
+          [0.0000000, 0.0000000, 0.4509400, 0.0026792, 0.0000000, 0.0000000, 0.0000000],
+          [0.0000000, 0.0000000, 0.0000000, 0.4525650, 0.0055664, 0.0000000, 0.0000000],
+          [0.0000000, 0.0000000, 0.0000000, 0.0001253, 0.2714010, 0.0102550, 0.0000000],
+          [0.0000000, 0.0000000, 0.0000000, 0.0000000, 0.0012968, 0.2658020, 0.0168090],
+          [0.0000000, 0.0000000, 0.0000000, 0.0000000, 0.0000000, 0.0085458, 0.2730800]]])
+    uo2_scatter_matrix = np.rollaxis(uo2_scatter_matrix, 0, 3)
+    uo2_fission = np.array([7.21206e-03, 8.19301e-04, 6.45320e-03, 1.85648e-02, 1.78084e-02,
+                            8.30348e-02, 2.16004e-01])
+    uo2_nu_fission = np.array([2.005998e-02, 2.027303e-03, 1.570599e-02, 4.518301e-02,
+                               4.334208e-02, 2.020901e-01, 5.257105e-01])
+    uo2_chi = np.array([5.8791e-01, 4.1176e-01, 3.3906e-04, 1.1761e-07, 0.0000e+00,
+                        0.0000e+00, 0.0000e+00])
+
+    # MGXS for the H2O moderator.
+    h2o_total = np.array([0.15920605, 0.412969593, 0.59030986, 0.58435, 0.718, 1.2544497,
+                          2.650379])
+    h2o_abs = np.array([6.0105e-04, 1.5793e-05, 3.3716e-04, 1.9406e-03, 5.7416e-03,
+                        1.5001e-02, 3.7239e-02])
+    h2o_scatter_matrix = np.array(
+        [[[0.0444777, 0.1134000, 0.0007235, 0.0000037, 0.0000001, 0.0000000, 0.0000000],
+          [0.0000000, 0.2823340, 0.1299400, 0.0006234, 0.0000480, 0.0000074, 0.0000010],
+          [0.0000000, 0.0000000, 0.3452560, 0.2245700, 0.0169990, 0.0026443, 0.0005034],
+          [0.0000000, 0.0000000, 0.0000000, 0.0910284, 0.4155100, 0.0637320, 0.0121390],
+          [0.0000000, 0.0000000, 0.0000000, 0.0000714, 0.1391380, 0.5118200, 0.0612290],
+          [0.0000000, 0.0000000, 0.0000000, 0.0000000, 0.0022157, 0.6999130, 0.5373200],
+          [0.0000000, 0.0000000, 0.0000000, 0.0000000, 0.0000000, 0.1324400, 2.4807000]]])
+    h2o_scatter_matrix = np.rollaxis(h2o_scatter_matrix, 0, 3)
+
     # Instantiate the 7-group (C5G7) cross section data
     uo2_xsdata = openmc.XSdata('UO2', groups)
     uo2_xsdata.order = 0
@@ -707,29 +752,33 @@ def _generate_c5g7_materials() -> openmc.Materials:
     uo2_xsdata.set_nu_fission(nu_fission)
     uo2_xsdata.set_chi([5.8791e-01, 4.1176e-01, 3.3906e-04, 1.1761e-07, 0.0000e+00,
                         0.0000e+00, 0.0000e+00])
+    uo2_xsdata.set_total(uo2_total, temperature=294.0)
+    uo2_xsdata.set_absorption(uo2_abs, temperature=294.0)
+    uo2_xsdata.set_scatter_matrix(uo2_scatter_matrix, temperature=294.0)
+    uo2_xsdata.set_fission(uo2_fission, temperature=294.0)
+    uo2_xsdata.set_nu_fission(uo2_nu_fission, temperature=294.0)
+    uo2_xsdata.set_chi(uo2_chi, temperature=294.0)
 
     h2o_xsdata = openmc.XSdata('LWTR', groups)
     h2o_xsdata.order = 0
-    h2o_xsdata.set_total([0.15920605, 0.412969593, 0.59030986, 0.58435,
-                          0.718, 1.2544497, 2.650379])
-    h2o_xsdata.set_absorption([6.0105e-04, 1.5793e-05, 3.3716e-04,
-                               1.9406e-03, 5.7416e-03, 1.5001e-02,
-                               3.7239e-02])
-    scatter_matrix = np.array(
-        [[[0.0444777, 0.1134000, 0.0007235, 0.0000037, 0.0000001, 0.0000000, 0.0000000],
-          [0.0000000, 0.2823340, 0.1299400, 0.0006234,
-              0.0000480, 0.0000074, 0.0000010],
-          [0.0000000, 0.0000000, 0.3452560, 0.2245700,
-              0.0169990, 0.0026443, 0.0005034],
-          [0.0000000, 0.0000000, 0.0000000, 0.0910284,
-              0.4155100, 0.0637320, 0.0121390],
-          [0.0000000, 0.0000000, 0.0000000, 0.0000714,
-              0.1391380, 0.5118200, 0.0612290],
-          [0.0000000, 0.0000000, 0.0000000, 0.0000000,
-              0.0022157, 0.6999130, 0.5373200],
-          [0.0000000, 0.0000000, 0.0000000, 0.0000000, 0.0000000, 0.1324400, 2.4807000]]])
-    scatter_matrix = np.rollaxis(scatter_matrix, 0, 3)
-    h2o_xsdata.set_scatter_matrix(scatter_matrix)
+    h2o_xsdata.set_total(h2o_total, temperature=294.0)
+    h2o_xsdata.set_absorption(h2o_abs, temperature=294.0)
+    h2o_xsdata.set_scatter_matrix(h2o_scatter_matrix, temperature=294.0)
+
+    # Add the second temperature data point if requested.
+    if second_temp:
+        uo2_xsdata.add_temperature(394.0)
+        uo2_xsdata.set_total(0.5 * uo2_total, temperature=394.0)
+        uo2_xsdata.set_absorption(0.5 * uo2_abs, temperature=394.0)
+        uo2_xsdata.set_scatter_matrix(0.5 * uo2_scatter_matrix, temperature=394.0)
+        uo2_xsdata.set_fission(0.5 * uo2_fission, temperature=394.0)
+        uo2_xsdata.set_nu_fission(0.5 * uo2_nu_fission, temperature=394.0)
+        uo2_xsdata.set_chi(uo2_chi, temperature=394.0)
+
+        h2o_xsdata.add_temperature(394.0)
+        h2o_xsdata.set_total(0.5 * h2o_total, temperature=394.0)
+        h2o_xsdata.set_absorption(0.5 * h2o_abs, temperature=394.0)
+        h2o_xsdata.set_scatter_matrix(0.5 * h2o_scatter_matrix, temperature=394.0)
 
     mg_cross_sections = openmc.MGXSLibrary(groups)
     mg_cross_sections.add_xsdatas([uo2_xsdata, h2o_xsdata])
@@ -823,10 +872,19 @@ def _generate_subdivided_pin_cell(uo2, water) -> openmc.Universe:
     return pincell
 
 
-def random_ray_pin_cell() -> openmc.Model:
+def random_ray_pin_cell(second_temp = False) -> openmc.Model:
     """Create a PWR pin cell example using C5G7 cross section data.
     cross section data.
 
+    Parameters
+    ----------
+    second_temp : bool, optional
+        Whether or not the cross sections should contain two temperature datapoints.
+        The first data point is the C5G7 cross sections, which corresponds to a temperature
+        of 294 K. The second data point is the C5G7 cross sections multiplied by 1/2,
+        which corresponds to a temperature of 3934 K. This temperature dependence is
+        fictitious; it is used for testing temperature feedback in the random ray solver.
+
     Returns
     -------
     model : openmc.Model
@@ -837,7 +895,7 @@ def random_ray_pin_cell() -> openmc.Model:
 
     ###########################################################################
     # Create Materials for the problem
-    materials = _generate_c5g7_materials()
+    materials = _generate_c5g7_materials(second_temp)
     uo2 = materials[0]
     water = materials[1]
 
@@ -897,13 +955,22 @@ def random_ray_pin_cell() -> openmc.Model:
     return model
 
 
-def random_ray_lattice() -> openmc.Model:
+def random_ray_lattice(second_temp = False) -> openmc.Model:
     """Create a 2x2 PWR pin cell asymmetrical lattice example.
 
     This model is a 2x2 reflective lattice of fuel pins with one of the lattice
     locations having just moderator instead of a fuel pin. It uses C5G7
     cross section data.
 
+    Parameters
+    ----------
+    second_temp : bool, optional
+        Whether or not the cross sections should contain two temperature datapoints.
+        The first data point is the C5G7 cross sections, which corresponds to a temperature
+        of 294 K. The second data point is the C5G7 cross sections multiplied by 1/2,
+        which corresponds to a temperature of 3934 K. This temperature dependence is
+        fictitious; it is used for testing temperature feedback in the random ray solver.
+
     Returns
     -------
     model : openmc.Model
@@ -914,7 +981,7 @@ def random_ray_lattice() -> openmc.Model:
 
     ###########################################################################
     # Create Materials for the problem
-    materials = _generate_c5g7_materials()
+    materials = _generate_c5g7_materials(second_temp)
     uo2 = materials[0]
     water = materials[1]
 
diff --git a/openmc/mgxs/library.py b/openmc/mgxs/library.py
index b476de902..78ab3ca19 100644
--- a/openmc/mgxs/library.py
+++ b/openmc/mgxs/library.py
@@ -13,6 +13,7 @@ import openmc.checkvalue as cv
 from openmc.checkvalue import PathLike
 from ..tallies import ESTIMATOR_TYPES
 
+ROOM_TEMPERATURE_KELVIN = 294.0
 
 class Library:
     """A multi-energy-group and multi-delayed-group cross section library for
@@ -954,7 +955,7 @@ class Library:
             return pickle.load(f)
 
     def get_xsdata(self, domain, xsdata_name, nuclide='total', xs_type='macro',
-                   subdomain=None, apply_domain_chi=False):
+                   subdomain=None, apply_domain_chi=False, temperature=ROOM_TEMPERATURE_KELVIN):
         """Generates an openmc.XSdata object describing a multi-group cross section
         dataset for writing to an openmc.MGXSLibrary object.
 
@@ -990,6 +991,9 @@ class Library:
             downstream multigroup solvers that precompute a material-specific
             chi before the transport solve provides group-wise fluxes. Defaults
             to False.
+        temperature : float, optional
+            The temperature to set in the XSdata object. Defaults to 294 K
+            (room temperature).
 
         Returns
         -------
@@ -1036,6 +1040,7 @@ class Library:
         else:
             representation = 'isotropic'
         xsdata = openmc.XSdata(name, self.energy_groups,
+                               temperatures=[temperature],
                                representation=representation)
         xsdata.num_delayed_groups = self.num_delayed_groups
         if self.num_polar > 1 or self.num_azimuthal > 1:
@@ -1053,45 +1058,61 @@ class Library:
         # Now get xs data itself
         if 'nu-transport' in self.mgxs_types and self.correction == 'P0':
             mymgxs = self.get_mgxs(domain, 'nu-transport')
-            xsdata.set_total_mgxs(mymgxs, xs_type=xs_type, nuclide=[nuclide],
+            xsdata.set_total_mgxs(mymgxs, temperature=temperature,
+                                  xs_type=xs_type,
+                                  nuclide=[nuclide],
                                   subdomain=subdomain)
 
         elif 'transport' in self.mgxs_types and self.correction == 'P0':
             mymgxs = self.get_mgxs(domain, 'transport')
-            xsdata.set_total_mgxs(mymgxs, xs_type=xs_type, nuclide=[nuclide],
+            xsdata.set_total_mgxs(mymgxs, temperature=temperature,
+                                  xs_type=xs_type,
+                                  nuclide=[nuclide],
                                   subdomain=subdomain)
 
         elif 'total' in self.mgxs_types:
             mymgxs = self.get_mgxs(domain, 'total')
-            xsdata.set_total_mgxs(mymgxs, xs_type=xs_type, nuclide=[nuclide],
+            xsdata.set_total_mgxs(mymgxs, temperature=temperature,
+                                  xs_type=xs_type,
+                                  nuclide=[nuclide],
                                   subdomain=subdomain)
 
         if 'absorption' in self.mgxs_types:
             mymgxs = self.get_mgxs(domain, 'absorption')
-            xsdata.set_absorption_mgxs(mymgxs, xs_type=xs_type,
+            xsdata.set_absorption_mgxs(mymgxs,
+                                       temperature=temperature,
+                                       xs_type=xs_type,
                                        nuclide=[nuclide],
                                        subdomain=subdomain)
 
         if 'fission' in self.mgxs_types:
             mymgxs = self.get_mgxs(domain, 'fission')
-            xsdata.set_fission_mgxs(mymgxs, xs_type=xs_type,
-                                    nuclide=[nuclide], subdomain=subdomain)
+            xsdata.set_fission_mgxs(mymgxs, temperature=temperature,
+                                    xs_type=xs_type,
+                                    nuclide=[nuclide],
+                                    subdomain=subdomain)
 
         if 'kappa-fission' in self.mgxs_types:
             mymgxs = self.get_mgxs(domain, 'kappa-fission')
-            xsdata.set_kappa_fission_mgxs(mymgxs, xs_type=xs_type,
+            xsdata.set_kappa_fission_mgxs(mymgxs,
+                                          temperature=temperature,
+                                          xs_type=xs_type,
                                           nuclide=[nuclide],
                                           subdomain=subdomain)
 
         if 'inverse-velocity' in self.mgxs_types:
             mymgxs = self.get_mgxs(domain, 'inverse-velocity')
-            xsdata.set_inverse_velocity_mgxs(mymgxs, xs_type=xs_type,
+            xsdata.set_inverse_velocity_mgxs(mymgxs,
+                                             temperature=temperature,
+                                             xs_type=xs_type,
                                              nuclide=[nuclide],
                                              subdomain=subdomain)
 
         if 'nu-fission matrix' in self.mgxs_types:
             mymgxs = self.get_mgxs(domain, 'nu-fission matrix')
-            xsdata.set_nu_fission_mgxs(mymgxs, xs_type=xs_type,
+            xsdata.set_nu_fission_mgxs(mymgxs,
+                                       temperature=temperature,
+                                       xs_type=xs_type,
                                        nuclide=[nuclide],
                                        subdomain=subdomain)
 
@@ -1101,7 +1122,9 @@ class Library:
                 nuc = "sum"
             else:
                 nuc = nuclide
-            xsdata.set_chi_mgxs(mymgxs, xs_type=xs_type, nuclide=[nuc],
+            xsdata.set_chi_mgxs(mymgxs, temperature=temperature,
+                                xs_type=xs_type,
+                                nuclide=[nuc],
                                 subdomain=subdomain)
 
         if 'chi-prompt' in self.mgxs_types:
@@ -1110,8 +1133,10 @@ class Library:
                 nuc = "sum"
             else:
                 nuc = nuclide
-            xsdata.set_chi_prompt_mgxs(mymgxs, xs_type=xs_type,
-                                       nuclide=[nuc], subdomain=subdomain)
+            xsdata.set_chi_prompt_mgxs(mymgxs, temperature=temperature,
+                                       xs_type=xs_type,
+                                       nuclide=[nuc],
+                                       subdomain=subdomain)
 
         if 'chi-delayed' in self.mgxs_types:
             mymgxs = self.get_mgxs(domain, 'chi-delayed')
@@ -1119,53 +1144,61 @@ class Library:
                 nuc = "sum"
             else:
                 nuc = nuclide
-            xsdata.set_chi_delayed_mgxs(mymgxs, xs_type=xs_type,
-                                        nuclide=[nuc], subdomain=subdomain)
+            xsdata.set_chi_delayed_mgxs(mymgxs, temperature=temperature,
+                                        xs_type=xs_type,
+                                        nuclide=[nuc],
+                                        subdomain=subdomain)
 
         if 'nu-fission' in self.mgxs_types:
             mymgxs = self.get_mgxs(domain, 'nu-fission')
-            xsdata.set_nu_fission_mgxs(mymgxs, xs_type=xs_type,
+            xsdata.set_nu_fission_mgxs(mymgxs, temperature=temperature,
+                                       xs_type=xs_type,
                                        nuclide=[nuclide],
                                        subdomain=subdomain)
 
         if 'prompt-nu-fission' in self.mgxs_types:
             mymgxs = self.get_mgxs(domain, 'prompt-nu-fission')
-            xsdata.set_prompt_nu_fission_mgxs(mymgxs, xs_type=xs_type,
+            xsdata.set_prompt_nu_fission_mgxs(mymgxs, temperature=temperature,
+                                              xs_type=xs_type,
                                               nuclide=[nuclide],
                                               subdomain=subdomain)
 
         if 'prompt-nu-fission matrix' in self.mgxs_types:
             mymgxs = self.get_mgxs(domain, 'prompt-nu-fission matrix')
-            xsdata.set_prompt_nu_fission_mgxs(mymgxs, xs_type=xs_type,
+            xsdata.set_prompt_nu_fission_mgxs(mymgxs, temperature=temperature,
+                                              xs_type=xs_type,
                                               nuclide=[nuclide],
                                               subdomain=subdomain)
 
         if 'delayed-nu-fission' in self.mgxs_types:
             mymgxs = self.get_mgxs(domain, 'delayed-nu-fission')
-            xsdata.set_delayed_nu_fission_mgxs(mymgxs, xs_type=xs_type,
+            xsdata.set_delayed_nu_fission_mgxs(mymgxs, temperature=temperature,
+                                               xs_type=xs_type,
                                                nuclide=[nuclide],
                                                subdomain=subdomain)
 
         if 'delayed-nu-fission matrix' in self.mgxs_types:
             mymgxs = self.get_mgxs(domain, 'delayed-nu-fission matrix')
-            xsdata.set_delayed_nu_fission_mgxs(mymgxs, xs_type=xs_type,
+            xsdata.set_delayed_nu_fission_mgxs(mymgxs, temperature=temperature,
+                                               xs_type=xs_type,
                                                nuclide=[nuclide],
                                                subdomain=subdomain)
 
         if 'beta' in self.mgxs_types:
             mymgxs = self.get_mgxs(domain, 'beta')
-            xsdata.set_beta_mgxs(mymgxs, xs_type=xs_type, nuclide=[nuclide],
-                                 subdomain=subdomain)
+            xsdata.set_beta_mgxs(mymgxs, temperature=temperature, xs_type=xs_type,
+                                 nuclide=[nuclide], subdomain=subdomain)
 
         if 'decay-rate' in self.mgxs_types:
             mymgxs = self.get_mgxs(domain, 'decay-rate')
-            xsdata.set_decay_rate_mgxs(mymgxs, xs_type=xs_type, nuclide=[nuclide],
-                                subdomain=subdomain)
+            xsdata.set_decay_rate_mgxs(mymgxs, temperature=temperature, xs_type=xs_type,
+                                       nuclide=[nuclide], subdomain=subdomain)
 
         # If multiplicity matrix is available, prefer that
         if 'multiplicity matrix' in self.mgxs_types:
             mymgxs = self.get_mgxs(domain, 'multiplicity matrix')
-            xsdata.set_multiplicity_matrix_mgxs(mymgxs, xs_type=xs_type,
+            xsdata.set_multiplicity_matrix_mgxs(mymgxs, temperature=temperature,
+                                                xs_type=xs_type,
                                                 nuclide=[nuclide],
                                                 subdomain=subdomain)
             using_multiplicity = True
@@ -1176,6 +1209,7 @@ class Library:
             scatt_mgxs = self.get_mgxs(domain, 'scatter matrix')
             nuscatt_mgxs = self.get_mgxs(domain, 'nu-scatter matrix')
             xsdata.set_multiplicity_matrix_mgxs(nuscatt_mgxs, scatt_mgxs,
+                                                temperature=temperature,
                                                 xs_type=xs_type,
                                                 nuclide=[nuclide],
                                                 subdomain=subdomain)
@@ -1188,6 +1222,7 @@ class Library:
             nuscatt_mgxs = \
                 self.get_mgxs(domain, 'consistent nu-scatter matrix')
             xsdata.set_multiplicity_matrix_mgxs(nuscatt_mgxs, scatt_mgxs,
+                                                temperature=temperature,
                                                 xs_type=xs_type,
                                                 nuclide=[nuclide],
                                                 subdomain=subdomain)
@@ -1202,7 +1237,8 @@ class Library:
             else:
                 nuscatt_mgxs = \
                     self.get_mgxs(domain, 'consistent nu-scatter matrix')
-            xsdata.set_scatter_matrix_mgxs(nuscatt_mgxs, xs_type=xs_type,
+            xsdata.set_scatter_matrix_mgxs(nuscatt_mgxs, temperature=temperature,
+                                           xs_type=xs_type,
                                            nuclide=[nuclide],
                                            subdomain=subdomain)
         else:
@@ -1213,7 +1249,8 @@ class Library:
                 else:
                     nuscatt_mgxs = \
                         self.get_mgxs(domain, 'consistent nu-scatter matrix')
-                xsdata.set_scatter_matrix_mgxs(nuscatt_mgxs, xs_type=xs_type,
+                xsdata.set_scatter_matrix_mgxs(nuscatt_mgxs, temperature=temperature,
+                                               xs_type=xs_type,
                                                nuclide=[nuclide],
                                                subdomain=subdomain)
 
@@ -1253,14 +1290,15 @@ class Library:
                       'are ignored since multiplicity or nu-scatter matrices '\
                       'were not tallied for ' + xsdata_name
                 warn(msg, RuntimeWarning)
-                xsdata.set_scatter_matrix_mgxs(scatt_mgxs, xs_type=xs_type,
+                xsdata.set_scatter_matrix_mgxs(scatt_mgxs, temperature=temperature,
+                                               xs_type=xs_type,
                                                nuclide=[nuclide],
                                                subdomain=subdomain)
 
         return xsdata
 
     def create_mg_library(self, xs_type='macro', xsdata_names=None,
-                          apply_domain_chi=False):
+                          apply_domain_chi=False, temperature=ROOM_TEMPERATURE_KELVIN):
         """Creates an openmc.MGXSLibrary object to contain the MGXS data for the
         Multi-Group mode of OpenMC.
 
@@ -1286,6 +1324,9 @@ class Library:
             downstream multigroup solvers that precompute a material-specific
             chi before the transport solve provides group-wise fluxes. Defaults
             to False.
+        temperature : float, optional
+            The temperature to set in the MGXSLibrary object. Defaults to 294 K
+            (room temperature).
 
         Returns
         -------
diff --git a/openmc/mgxs_library.py b/openmc/mgxs_library.py
index c1a15998e..ab9b58b7a 100644
--- a/openmc/mgxs_library.py
+++ b/openmc/mgxs_library.py
@@ -515,6 +515,75 @@ class XSdata:
         if np.sum(array) > 0:
             self._fissionable = True
 
+    def add_temperature_data(self, other):
+        """This method adds temperature-dependent cross section
+        values from another XSdata object to this XSdata object.
+        Note: if a temperature datapoint from 'other' already exists in this
+        object, it will be overridden.
+
+        Parameters
+        ----------
+        other: openmc.XSdata
+            The other XSdata object to fetch data from
+        """
+
+        # Sanity check to make sure they have the same name, energy group structure,
+        # and delayed group structure
+        check_value('name', other.name, self.name)
+        check_value('energy_groups', other.energy_groups, [self.energy_groups])
+        check_value('delayed_groups', other.num_delayed_groups, [self.num_delayed_groups])
+
+        # Add the temperature data.
+        for temp in other.temperatures:
+            if temp not in self.temperatures:
+                self.add_temperature(temp)
+
+            if np.all(other.absorption[other._temperature_index(temp)] != None):
+              self.set_absorption(other.absorption[other._temperature_index(temp)], temp)
+
+            if np.all(other.beta[other._temperature_index(temp)] != None):
+              self.set_beta(other.beta[other._temperature_index(temp)], temp)
+
+            if np.all(other.chi[other._temperature_index(temp)] != None):
+              self.set_chi(other.chi[other._temperature_index(temp)], temp)
+
+            if np.all(other.chi_delayed[other._temperature_index(temp)] != None):
+              self.set_chi_delayed(other.chi_delayed[other._temperature_index(temp)], temp)
+
+            if np.all(other.chi_prompt[other._temperature_index(temp)] != None):
+              self.set_chi_prompt(other.chi_prompt[other._temperature_index(temp)], temp)
+
+            if np.all(other.decay_rate[other._temperature_index(temp)] != None):
+              self.set_decay_rate(other.decay_rate[other._temperature_index(temp)], temp)
+
+            if np.all(other.delayed_nu_fission[other._temperature_index(temp)] != None):
+              self.set_delayed_nu_fission(other.delayed_nu_fission[other._temperature_index(temp)], temp)
+
+            if np.all(other.fission[other._temperature_index(temp)] != None):
+              self.set_fission(other.fission[other._temperature_index(temp)], temp)
+
+            if np.all(other.inverse_velocity[other._temperature_index(temp)] != None):
+              self.set_inverse_velocity(other.inverse_velocity[other._temperature_index(temp)], temp)
+
+            if np.all(other.kappa_fission[other._temperature_index(temp)] != None):
+              self.set_kappa_fission(other.kappa_fission[other._temperature_index(temp)], temp)
+
+            if np.all(other.multiplicity_matrix[other._temperature_index(temp)] != None):
+              self.set_multiplicity_matrix(other.multiplicity_matrix[other._temperature_index(temp)], temp)
+
+            if np.all(other.nu_fission[other._temperature_index(temp)] != None):
+              self.set_nu_fission(other.nu_fission[other._temperature_index(temp)], temp)
+
+            if np.all(other.prompt_nu_fission[other._temperature_index(temp)] != None):
+              self.set_prompt_nu_fission(other.prompt_nu_fission[other._temperature_index(temp)], temp)
+
+            if np.all(other.scatter_matrix[other._temperature_index(temp)] != None):
+              self.set_scatter_matrix(other.scatter_matrix[other._temperature_index(temp)], temp)
+
+            if np.all(other.fission[other._temperature_index(temp)] != None):
+              self.set_total(other.total[other._temperature_index(temp)], temp)
+
+
     def set_total(self, total, temperature=ROOM_TEMPERATURE_KELVIN):
         """This method sets the cross section for this XSdata object at the
         provided temperature.
diff --git a/openmc/model/model.py b/openmc/model/model.py
index 67da2f73a..82fe87ca5 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -1695,8 +1695,8 @@ class Model:
                 self.geometry.get_all_materials().values()
             )
 
+    @staticmethod
     def _auto_generate_mgxs_lib(
-        self,
         model: openmc.model.model,
         groups: openmc.mgxs.EnergyGroups,
         correction: str | none,
@@ -1861,6 +1861,85 @@ class Model:
 
         return sources
 
+    @staticmethod
+    def _isothermal_infinite_media_mgxs(
+        material: openmc.Material,
+        groups: openmc.mgxs.EnergyGroups,
+        nparticles: int,
+        correction: str | None,
+        directory: PathLike,
+        source: openmc.IndependentSource,
+        temperature_settings: dict,
+        temperature: float | None = None,
+    ) -> openmc.XSdata:
+        """Generate a single MGXS set for one material, where the geometry is an
+        infinite medium composed of that material at an isothermal temperature value.
+
+        Parameters
+        ----------
+        material : openmc.Material
+            The material to generate MGXS for
+        groups : openmc.mgxs.EnergyGroups
+            Energy group structure for the MGXS.
+        nparticles : int
+            Number of particles to simulate per batch when generating MGXS.
+        correction : str
+            Transport correction to apply to the MGXS. Options are None and
+            "P0".
+        directory : str
+            Directory to run the simulation in, so as to contain XML files.
+        source : openmc.IndependentSource
+            Source to use when generating MGXS.
+        temperature_settings : dict
+            A dictionary of temperature settings to use when generating MGXS.
+            Valid entries for temperature_settings are the same as the valid
+            entries in openmc.Settings.temperature_settings.
+        temperature : float, optional
+            The isothermal temperature value to apply to the material. If not specified,
+            defaults to the temperature in the material.
+
+        Returns
+        -------
+        data : openmc.XSdata
+            The material MGXS for the given temperature isotherm.
+        """
+        model = openmc.Model()
+
+        # Set materials on the model
+        model.materials = [material]
+        if temperature != None:
+          model.materials[-1].temperature = temperature
+
+        # Settings
+        model.settings.batches = 100
+        model.settings.particles = nparticles
+
+        model.settings.source = source
+
+        model.settings.run_mode = 'fixed source'
+        model.settings.create_fission_neutrons = False
+
+        model.settings.output = {'summary': True, 'tallies': False}
+        model.settings.temperature = temperature_settings
+
+        # Geometry
+        box = openmc.model.RectangularPrism(
+            100000.0, 100000.0, boundary_type='reflective')
+        name = material.name
+        infinite_cell = openmc.Cell(name=name, fill=model.materials[-1], region=-box)
+        infinite_universe = openmc.Universe(name=name, cells=[infinite_cell])
+        model.geometry.root_universe = infinite_universe
+
+        # Generate MGXS
+        mgxs_lib = Model._auto_generate_mgxs_lib(
+                model, groups, correction, directory)
+
+        if temperature != None:
+            return mgxs_lib.get_xsdata(domain=material, xsdata_name=name,
+                                       temperature=temperature)
+        else:
+            return mgxs_lib.get_xsdata(domain=material, xsdata_name=name)
+
     def _generate_infinite_medium_mgxs(
         self,
         groups: openmc.mgxs.EnergyGroups,
@@ -1869,13 +1948,17 @@ class Model:
         correction: str | None,
         directory: PathLike,
         source_energy: openmc.stats.Univariate | None = None,
-    ):
+        temperatures: Sequence[float] | None = None,
+        temperature_settings: dict | None = None,
+    ) -> None:
         """Generate a MGXS library by running multiple OpenMC simulations, each
         representing an infinite medium simulation of a single isolated
         material. A discrete source is used to sample particles, with an equal
         strength spread across each of the energy groups. This is a highly naive
         method that ignores all spatial self shielding effects and all resonance
-        shielding effects between materials.
+        shielding effects between materials. If temperature data points are provided,
+        isothermal cross sections are generated at each temperature point for
+        each material to build a temperature interpolation table.
 
         Note that in all cases, a discrete source that is uniform over all
         energy groups is created (strength = 0.01) to ensure that total cross
@@ -1907,50 +1990,78 @@ class Model:
         source_energy : openmc.stats.Univariate, optional
             Energy distribution to use when generating MGXS data, replacing any
             existing sources in the model.
+        temperatures : Sequence[float], optional
+            A list of temperatures to generate MGXS at. Each infinite material region
+            is isothermal at a given temperature data point for cross
+            section generation.
+        temperature_settings : dict, optional
+            A dictionary of temperature settings to use when generating MGXS.
+            Valid entries for temperature_settings are the same as the valid
+            entries in openmc.Settings.temperature_settings.
         """
-        mgxs_sets = []
-        for material in self.materials:
-            model = openmc.Model()
 
-            # Set materials on the model
-            model.materials = [material]
+        src = self._create_mgxs_sources(
+            groups,
+            spatial_dist=openmc.stats.Point(),
+            source_energy=source_energy
+        )
 
-            # Settings
-            model.settings.batches = 100
-            model.settings.particles = nparticles
+        temp_settings = {}
+        if temperature_settings == None:
+            temp_settings = self.settings.temperature
+        else:
+            temp_settings = temperature_settings
 
-            model.settings.source = self._create_mgxs_sources(
-                groups,
-                spatial_dist=openmc.stats.Point(),
-                source_energy=source_energy
-            )
+        if temperatures == None:
+            mgxs_sets = []
+            for material in self.materials:
+                xs_data = Model._isothermal_infinite_media_mgxs(
+                    material,
+                    groups,
+                    nparticles,
+                    correction,
+                    directory,
+                    src,
+                    temp_settings
+                )
+                mgxs_sets.append(xs_data)
 
-            model.settings.run_mode = 'fixed source'
-            model.settings.create_fission_neutrons = False
+            # Write the file to disk.
+            mgxs_file = openmc.MGXSLibrary(energy_groups=groups)
+            for mgxs_set in mgxs_sets:
+                mgxs_file.add_xsdata(mgxs_set)
+            mgxs_file.export_to_hdf5(mgxs_path)
+        else:
+            # Build a series of XSData objects, one for each isothermal temperature value.
+            raw_mgxs_sets = {}
+            for temperature in temperatures:
+                raw_mgxs_sets[temperature] = []
+                for material in self.materials:
+                    xs_data = Model._isothermal_infinite_media_mgxs(
+                        material,
+                        groups,
+                        nparticles,
+                        correction,
+                        directory,
+                        src,
+                        temp_settings,
+                        temperature
+                    )
+                    raw_mgxs_sets[temperature].append(xs_data)
 
-            model.settings.output = {'summary': True, 'tallies': False}
+            # Unpack the isothermal XSData objects and build a single XSData object per material.
+            mgxs_sets = []
+            for m in range(len(self.materials)):
+                mgxs_sets.append(openmc.XSdata(self.materials[m].name, groups))
+                mgxs_sets[-1].order = 0
+                for temperature in temperatures:
+                    mgxs_sets[-1].add_temperature_data(raw_mgxs_sets[temperature][m])
 
-            # Geometry
-            box = openmc.model.RectangularPrism(
-                100000.0, 100000.0, boundary_type='reflective')
-            name = material.name
-            infinite_cell = openmc.Cell(name=name, fill=material, region=-box)
-            infinite_universe = openmc.Universe(name=name, cells=[infinite_cell])
-            model.geometry.root_universe = infinite_universe
-
-            # Add MGXS Tallies
-            mgxs_lib = self._auto_generate_mgxs_lib(
-                model, groups, correction, directory)
-
-            # Create a MGXS File which can then be written to disk
-            mgxs_set = mgxs_lib.get_xsdata(domain=material, xsdata_name=name)
-            mgxs_sets.append(mgxs_set)
-
-        # Write the file to disk
-        mgxs_file = openmc.MGXSLibrary(energy_groups=groups)
-        for mgxs_set in mgxs_sets:
-            mgxs_file.add_xsdata(mgxs_set)
-        mgxs_file.export_to_hdf5(mgxs_path)
+            # Write the file to disk.
+            mgxs_file = openmc.MGXSLibrary(energy_groups=groups)
+            for mgxs_set in mgxs_sets:
+                mgxs_file.add_xsdata(mgxs_set)
+            mgxs_file.export_to_hdf5(mgxs_path)
 
     @staticmethod
     def _create_stochastic_slab_geometry(
@@ -2026,6 +2137,89 @@ class Model:
 
         return geometry, box
 
+    @staticmethod
+    def _isothermal_stochastic_slab_mgxs(
+        stoch_geom: openmc.Geometry,
+        groups: openmc.mgxs.EnergyGroups,
+        nparticles: int,
+        correction: str | None,
+        directory: PathLike,
+        source: openmc.IndependentSource,
+        temperature_settings: dict,
+        temperature: float | None = None,
+    ) -> dict[str, openmc.XSdata]:
+        """Generate MGXS assuming a stochastic "sandwich" of materials in a layered
+        slab geometry. If a temperature is specified, all materials in the slab have
+        their temperatures set to be isothermal at this temperature.
+
+        Parameters
+        ----------
+        stoch_geom : openmc.Geometry
+            The stochastic slab geometry.
+        groups : openmc.mgxs.EnergyGroups
+            Energy group structure for the MGXS.
+        nparticles : int
+            Number of particles to simulate per batch when generating MGXS.
+        correction : str
+            Transport correction to apply to the MGXS. Options are None and
+            "P0".
+        directory : str
+            Directory to run the simulation in, so as to contain XML files.
+        source : openmc.IndependentSource
+            Source to use when generating MGXS.
+        temperature_settings : dict
+            A dictionary of temperature settings to use when generating MGXS.
+            Valid entries for temperature_settings are the same as the valid
+            entries in openmc.Settings.temperature_settings.
+        temperature : float, optional
+            The isothermal temperature value to apply to the materials in the
+            slab. If not specified, defaults to the temperature in the materials.
+
+        Returns
+        -------
+        data : dict[str, openmc.XSdata]
+            A dictionary where the key is the name of the material and the value is the isothermal MGXS.
+        """
+
+        model = openmc.Model()
+        model.geometry = stoch_geom
+
+        if temperature != None:
+            for material in model.geometry.get_all_materials().values():
+                material.temperature = temperature
+
+        # Settings
+        model.settings.batches = 200
+        model.settings.inactive = 100
+        model.settings.particles = nparticles
+        model.settings.output = {'summary': True, 'tallies': False}
+        model.settings.temperature = temperature_settings
+
+        # Define the sources
+        model.settings.source = source
+
+        model.settings.run_mode = 'fixed source'
+        model.settings.create_fission_neutrons = False
+
+        model.settings.output = {'summary': True, 'tallies': False}
+
+        # Generate MGXS
+        mgxs_lib = Model._auto_generate_mgxs_lib(
+                model, groups, correction, directory)
+
+        # Fetch all of the isothermal results.
+        if temperature != None:
+            return {
+                mat.name : mgxs_lib.get_xsdata(domain=mat, xsdata_name=mat.name,
+                                               temperature=temperature)
+                    for mat in mgxs_lib.domains
+            }
+        else:
+            return {
+                mat.name : mgxs_lib.get_xsdata(domain=mat, xsdata_name=mat.name)
+                    for mat in mgxs_lib.domains
+            }
+
     def _generate_stochastic_slab_mgxs(
         self,
         groups: openmc.mgxs.EnergyGroups,
@@ -2034,6 +2228,8 @@ class Model:
         correction: str | None,
         directory: PathLike,
         source_energy: openmc.stats.Univariate | None = None,
+        temperatures: Sequence[float] | None = None,
+        temperature_settings: dict | None = None,
     ) -> None:
         """Generate MGXS assuming a stochastic "sandwich" of materials in a layered
         slab geometry. While geometry-specific spatial shielding effects are not
@@ -2043,7 +2239,9 @@ class Model:
         will generate cross sections for all materials in the problem regardless
         of type. If this is a fixed source problem, a discrete source is used to
         sample particles, with an equal strength spread across each of the
-        energy groups.
+        energy groups. If temperature data points are provided,
+        isothermal cross sections are generated at each temperature point for
+        the stochastic slab to build a temperature interpolation table.
 
         Parameters
         ----------
@@ -2075,41 +2273,152 @@ class Model:
             no sources are defined on the model and the run mode is
             'eigenvalue', then a default Watt spectrum source (strength = 0.99)
             is added.
+        temperatures : Sequence[float], optional
+            A list of temperatures to generate MGXS at. Each infinite material region
+            is isothermal at a given temperature data point for cross
+            section generation.
+        temperature_settings : dict, optional
+            A dictionary of temperature settings to use when generating MGXS.
+            Valid entries for temperature_settings are the same as the valid
+            entries in openmc.Settings.temperature_settings.
         """
-        model = openmc.Model()
-        model.materials = self.materials
+
+        # Stochastic slab geometry
+        geo, spatial_distribution = Model._create_stochastic_slab_geometry(
+            self.materials)
+
+        src = self._create_mgxs_sources(
+            groups,
+            spatial_dist=spatial_distribution,
+            source_energy=source_energy
+        )
+
+        temp_settings = {}
+        if temperature_settings == None:
+            temp_settings = self.settings.temperature
+        else:
+            temp_settings = temperature_settings
+
+        if temperatures == None:
+            mgxs_sets = Model._isothermal_stochastic_slab_mgxs(
+                geo,
+                groups,
+                nparticles,
+                correction,
+                directory,
+                src,
+                temp_settings
+            ).values()
+
+            # Write the file to disk.
+            mgxs_file = openmc.MGXSLibrary(energy_groups=groups)
+            for mgxs_set in mgxs_sets:
+                mgxs_file.add_xsdata(mgxs_set)
+            mgxs_file.export_to_hdf5(mgxs_path)
+        else:
+            # Build a series of XSData objects, one for each isothermal temperature value.
+            raw_mgxs_sets = {}
+            for temperature in temperatures:
+                raw_mgxs_sets[temperature] = Model._isothermal_stochastic_slab_mgxs(
+                    geo,
+                    groups,
+                    nparticles,
+                    correction,
+                    directory,
+                    src,
+                    temp_settings,
+                    temperature
+                )
+
+            # Unpack the isothermal XSData objects and build a single XSData object per material.
+            mgxs_sets = []
+            for mat in self.materials:
+                mgxs_sets.append(openmc.XSdata(mat.name, groups))
+                mgxs_sets[-1].order = 0
+                for temperature in temperatures:
+                    mgxs_sets[-1].add_temperature_data(raw_mgxs_sets[temperature][mat.name])
+
+            # Write the file to disk.
+            mgxs_file = openmc.MGXSLibrary(energy_groups=groups)
+            for mgxs_set in mgxs_sets:
+                mgxs_file.add_xsdata(mgxs_set)
+            mgxs_file.export_to_hdf5(mgxs_path)
+
+    @staticmethod
+    def _isothermal_materialwise_mgxs(
+        input_model: openmc.Model,
+        groups: openmc.mgxs.EnergyGroups,
+        nparticles: int,
+        correction: str | None,
+        directory: PathLike,
+        temperature_settings: dict,
+        temperature: float | None = None,
+    ) -> dict[str, openmc.XSdata]:
+        """Generate a material-wise MGXS library for the model by running the
+        original continuous energy OpenMC simulation. If a temperature is
+        specified, each material in the input model is set to that temperature.
+        Otherwise, the original material temperatures are used. If temperature
+        data points are provided, isothermal cross sections are generated at
+        each temperature point for the whole model to build a temperature
+        interpolation table.
+
+        Parameters
+        ----------
+        input_model : openmc.Model
+            The model to use when computing material-wise MGXS.
+        groups : openmc.mgxs.EnergyGroups
+            Energy group structure for the MGXS.
+        nparticles : int
+            Number of particles to simulate per batch when generating MGXS.
+        correction : str
+            Transport correction to apply to the MGXS. Options are None and
+            "P0".
+        directory : str
+            Directory to run the simulation in, so as to contain XML files.
+        temperature_settings : dict
+            A dictionary of temperature settings to use when generating MGXS.
+            Valid entries for temperature_settings are the same as the valid
+            entries in openmc.Settings.temperature_settings.
+        temperature : float, optional
+            The isothermal temperature value to apply to the materials in the
+            input model. If not specified, defaults to the temperatures in the
+            materials.
+
+        Returns
+        -------
+        data : dict[str, openmc.XSdata]
+            A dictionary where the key is the name of the material and the value is the isothermal MGXS.
+        """
+        model = copy.deepcopy(input_model)
+        model.tallies = openmc.Tallies()
+
+        if temperature != None:
+            for material in model.geometry.get_all_materials().values():
+                material.temperature = temperature
 
         # Settings
         model.settings.batches = 200
         model.settings.inactive = 100
         model.settings.particles = nparticles
         model.settings.output = {'summary': True, 'tallies': False}
+        model.settings.temperature = temperature_settings
 
-        # Stochastic slab geometry
-        model.geometry, spatial_distribution = Model._create_stochastic_slab_geometry(
-            model.materials)
-
-        # Define the sources
-        model.settings.source = self._create_mgxs_sources(
-            groups,
-            spatial_dist=spatial_distribution,
-            source_energy=source_energy
-        )
-
-        model.settings.run_mode = 'fixed source'
-        model.settings.create_fission_neutrons = False
-
-        model.settings.output = {'summary': True, 'tallies': False}
-
-        # Add MGXS Tallies
-        mgxs_lib = self._auto_generate_mgxs_lib(
+        # Generate MGXS
+        mgxs_lib = Model._auto_generate_mgxs_lib(
                 model, groups, correction, directory)
 
-        names = [mat.name for mat in mgxs_lib.domains]
-
-        # Create a MGXS File which can then be written to disk
-        mgxs_file = mgxs_lib.create_mg_library(xs_type='macro', xsdata_names=names)
-        mgxs_file.export_to_hdf5(mgxs_path)
+        # Fetch all of the isothermal results.
+        if temperature != None:
+            return {
+                mat.name : mgxs_lib.get_xsdata(domain=mat, xsdata_name=mat.name,
+                                               temperature=temperature)
+                    for mat in mgxs_lib.domains
+            }
+        else:
+            return {
+                mat.name : mgxs_lib.get_xsdata(domain=mat, xsdata_name=mat.name)
+                    for mat in mgxs_lib.domains
+            }
 
     def _generate_material_wise_mgxs(
         self,
@@ -2118,6 +2427,8 @@ class Model:
         mgxs_path: PathLike,
         correction: str | None,
         directory: PathLike,
+        temperatures: Sequence[float] | None = None,
+        temperature_settings: dict | None = None,
     ) -> None:
         """Generate a material-wise MGXS library for the model by running the
         original continuous energy OpenMC simulation of the full material
@@ -2142,26 +2453,63 @@ class Model:
             "P0".
         directory : PathLike
             Directory to run the simulation in, so as to contain XML files.
+        temperatures : Sequence[float], optional
+            A list of temperatures to generate MGXS at. Each infinite material region
+            is isothermal at a given temperature data point for cross
+            section generation.
+        temperature_settings : dict, optional
+            A dictionary of temperature settings to use when generating MGXS.
+            Valid entries for temperature_settings are the same as the valid
+            entries in openmc.Settings.temperature_settings.
         """
-        model = copy.deepcopy(self)
-        model.tallies = openmc.Tallies()
+        temp_settings = {}
+        if temperature_settings == None:
+            temp_settings = self.settings.temperature
+        else:
+            temp_settings = temperature_settings
 
-        # Settings
-        model.settings.batches = 200
-        model.settings.inactive = 100
-        model.settings.particles = nparticles
-        model.settings.output = {'summary': True, 'tallies': False}
+        if temperatures == None:
+            mgxs_sets = Model._isothermal_materialwise_mgxs(
+                self,
+                groups,
+                nparticles,
+                correction,
+                directory,
+                temp_settings
+            ).values()
 
-        # Add MGXS Tallies
-        mgxs_lib = self._auto_generate_mgxs_lib(
-                model, groups, correction, directory)
+            # Write the file to disk.
+            mgxs_file = openmc.MGXSLibrary(energy_groups=groups)
+            for mgxs_set in mgxs_sets:
+                mgxs_file.add_xsdata(mgxs_set)
+            mgxs_file.export_to_hdf5(mgxs_path)
+        else:
+            # Build a series of XSData objects, one for each isothermal temperature value.
+            raw_mgxs_sets = {}
+            for temperature in temperatures:
+                raw_mgxs_sets[temperature] = Model._isothermal_materialwise_mgxs(
+                    self,
+                    groups,
+                    nparticles,
+                    correction,
+                    directory,
+                    temp_settings,
+                    temperature
+                )
 
-        names = [mat.name for mat in mgxs_lib.domains]
+            # Unpack the isothermal XSData objects and build a single XSData object per material.
+            mgxs_sets = []
+            for mat in self.materials:
+                mgxs_sets.append(openmc.XSdata(mat.name, groups))
+                mgxs_sets[-1].order = 0
+                for temperature in temperatures:
+                    mgxs_sets[-1].add_temperature_data(raw_mgxs_sets[temperature][mat.name])
 
-        # Create a MGXS File which can then be written to disk
-        mgxs_file = mgxs_lib.create_mg_library(
-            xs_type='macro', xsdata_names=names)
-        mgxs_file.export_to_hdf5(mgxs_path)
+            # Write the file to disk.
+            mgxs_file = openmc.MGXSLibrary(energy_groups=groups)
+            for mgxs_set in mgxs_sets:
+                mgxs_file.add_xsdata(mgxs_set)
+            mgxs_file.export_to_hdf5(mgxs_path)
 
     def convert_to_multigroup(
         self,
@@ -2172,6 +2520,8 @@ class Model:
         mgxs_path: PathLike = "mgxs.h5",
         correction: str | None = None,
         source_energy: openmc.stats.Univariate | None = None,
+        temperatures: Sequence[float] | None = None,
+        temperature_settings: dict | None = None,
     ):
         """Convert all materials from continuous energy to multigroup.
 
@@ -2212,6 +2562,14 @@ class Model:
             'eigenvalue', then a default Watt spectrum source (strength = 0.99)
             is added. Note that this argument is only used when using the
             "stochastic_slab" or "infinite_medium" MGXS generation methods.
+        temperatures : Sequence[float], optional
+            A list of temperatures to generate MGXS at. Each infinite material region
+            is isothermal at a given temperature data point for cross
+            section generation.
+        temperature_settings : dict, optional
+            A dictionary of temperature settings to use when generating MGXS.
+            Valid entries for temperature_settings are the same as the valid
+            entries in openmc.Settings.temperature_settings.
         """
         if isinstance(groups, str):
             groups = openmc.mgxs.EnergyGroups(groups)
@@ -2241,13 +2599,16 @@ class Model:
             if not Path(mgxs_path).is_file() or overwrite_mgxs_library:
                 if method == "infinite_medium":
                     self._generate_infinite_medium_mgxs(
-                        groups, nparticles, mgxs_path, correction, tmpdir, source_energy)
+                        groups, nparticles, mgxs_path, correction, tmpdir, source_energy,
+                        temperatures, temperature_settings)
                 elif method == "material_wise":
                     self._generate_material_wise_mgxs(
-                        groups, nparticles, mgxs_path, correction, tmpdir)
+                        groups, nparticles, mgxs_path, correction, tmpdir,
+                        temperatures, temperature_settings)
                 elif method == "stochastic_slab":
                     self._generate_stochastic_slab_mgxs(
-                        groups, nparticles, mgxs_path, correction, tmpdir, source_energy)
+                        groups, nparticles, mgxs_path, correction, tmpdir, source_energy,
+                        temperatures, temperature_settings)
                 else:
                     raise ValueError(
                         f'MGXS generation method "{method}" not recognized')
diff --git a/src/mgxs_interface.cpp b/src/mgxs_interface.cpp
index 34f87d179..08c64413a 100644
--- a/src/mgxs_interface.cpp
+++ b/src/mgxs_interface.cpp
@@ -169,13 +169,13 @@ vector<vector<double>> MgxsInterface::get_mat_kTs()
         continue;
 
       // Get temperature of cell (rounding to nearest integer)
-      double sqrtkT =
-        cell->sqrtkT_.size() == 1 ? cell->sqrtkT_[j] : cell->sqrtkT_[0];
-      double kT = sqrtkT * sqrtkT;
+      for (int k = 0; k < cell->sqrtkT_.size(); ++k) {
+        double kT = cell->sqrtkT_[k] * cell->sqrtkT_[k];
 
-      // Add temperature if it hasn't already been added
-      if (!contains(kTs[i_material], kT)) {
-        kTs[i_material].push_back(kT);
+        // Add temperature if it hasn't already been added
+        if (!contains(kTs[i_material], kT)) {
+          kTs[i_material].push_back(kT);
+        }
       }
     }
   }
diff --git a/src/random_ray/flat_source_domain.cpp b/src/random_ray/flat_source_domain.cpp
index 32b334933..13a1b0163 100644
--- a/src/random_ray/flat_source_domain.cpp
+++ b/src/random_ray/flat_source_domain.cpp
@@ -109,11 +109,13 @@ void FlatSourceDomain::update_single_neutron_source(SourceRegionHandle& srh)
 
   // Add scattering + fission source
   int material = srh.material();
+  int temp = srh.temperature_idx();
   double density_mult = srh.density_mult();
   if (material != MATERIAL_VOID) {
     double inverse_k_eff = 1.0 / k_eff_;
-    int material_offset = material * negroups_;
-    int scatter_offset = material * negroups_ * negroups_;
+    const int material_offset = (material * ntemperature_ + temp) * negroups_;
+    const int scatter_offset =
+      (material * ntemperature_ + temp) * negroups_ * negroups_;
     for (int g_out = 0; g_out < negroups_; g_out++) {
       double sigma_t = sigma_t_[material_offset + g_out] * density_mult;
       double scatter_source = 0.0;
@@ -193,6 +195,7 @@ void FlatSourceDomain::set_flux_to_flux_plus_source(
   int64_t sr, double volume, int g)
 {
   int material = source_regions_.material(sr);
+  int temp = source_regions_.temperature_idx(sr);
   if (material == MATERIAL_VOID) {
     source_regions_.scalar_flux_new(sr, g) /= volume;
     if (settings::run_mode == RunMode::FIXED_SOURCE) {
@@ -201,8 +204,9 @@ void FlatSourceDomain::set_flux_to_flux_plus_source(
         source_regions_.volume_sq(sr);
     }
   } else {
-    double sigma_t = sigma_t_[source_regions_.material(sr) * negroups_ + g] *
-                     source_regions_.density_mult(sr);
+    double sigma_t =
+      sigma_t_[(material * ntemperature_ + temp) * negroups_ + g] *
+      source_regions_.density_mult(sr);
     source_regions_.scalar_flux_new(sr, g) /= (sigma_t * volume);
     source_regions_.scalar_flux_new(sr, g) += source_regions_.source(sr, g);
   }
@@ -328,6 +332,7 @@ void FlatSourceDomain::compute_k_eff()
     }
 
     int material = source_regions_.material(sr);
+    int temp = source_regions_.temperature_idx(sr);
     if (material == MATERIAL_VOID) {
       continue;
     }
@@ -336,8 +341,9 @@ void FlatSourceDomain::compute_k_eff()
     double sr_fission_source_new = 0;
 
     for (int g = 0; g < negroups_; g++) {
-      double nu_sigma_f = nu_sigma_f_[material * negroups_ + g] *
-                          source_regions_.density_mult(sr);
+      double nu_sigma_f =
+        nu_sigma_f_[(material * ntemperature_ + temp) * negroups_ + g] *
+        source_regions_.density_mult(sr);
       sr_fission_source_old +=
         nu_sigma_f * source_regions_.scalar_flux_old(sr, g);
       sr_fission_source_new +=
@@ -560,6 +566,7 @@ double FlatSourceDomain::compute_fixed_source_normalization_factor() const
 #pragma omp parallel for reduction(+ : simulation_external_source_strength)
   for (int64_t sr = 0; sr < n_source_regions(); sr++) {
     int material = source_regions_.material(sr);
+    int temp = source_regions_.temperature_idx(sr);
     double volume = source_regions_.volume(sr) * simulation_volume_;
     for (int g = 0; g < negroups_; g++) {
       // For non-void regions, we store the external source pre-divided by
@@ -567,8 +574,8 @@ double FlatSourceDomain::compute_fixed_source_normalization_factor() const
       // to get the total source strength in the expected units.
       double sigma_t = 1.0;
       if (material != MATERIAL_VOID) {
-        sigma_t =
-          sigma_t_[material * negroups_ + g] * source_regions_.density_mult(sr);
+        sigma_t = sigma_t_[(material * ntemperature_ + temp) * negroups_ + g] *
+                  source_regions_.density_mult(sr);
       }
       simulation_external_source_strength +=
         source_regions_.external_source(sr, g) * sigma_t * volume;
@@ -624,9 +631,9 @@ void FlatSourceDomain::random_ray_tally()
     // source strength.
     double volume = source_regions_.volume(sr) * simulation_volume_;
 
-    int material = source_regions_.material(sr);
+    double material = source_regions_.material(sr);
+    int temp = source_regions_.temperature_idx(sr);
     double density_mult = source_regions_.density_mult(sr);
-
     for (int g = 0; g < negroups_; g++) {
       double flux =
         source_regions_.scalar_flux_new(sr, g) * source_normalization_factor;
@@ -643,21 +650,27 @@ void FlatSourceDomain::random_ray_tally()
         case SCORE_TOTAL:
           if (material != MATERIAL_VOID) {
             score =
-              flux * volume * sigma_t_[material * negroups_ + g] * density_mult;
+              flux * volume *
+              sigma_t_[(material * ntemperature_ + temp) * negroups_ + g] *
+              density_mult;
           }
           break;
 
         case SCORE_FISSION:
           if (material != MATERIAL_VOID) {
             score =
-              flux * volume * sigma_f_[material * negroups_ + g] * density_mult;
+              flux * volume *
+              sigma_f_[(material * ntemperature_ + temp) * negroups_ + g] *
+              density_mult;
           }
           break;
 
         case SCORE_NU_FISSION:
           if (material != MATERIAL_VOID) {
-            score = flux * volume * nu_sigma_f_[material * negroups_ + g] *
-                    density_mult;
+            score =
+              flux * volume *
+              nu_sigma_f_[(material * ntemperature_ + temp) * negroups_ + g] *
+              density_mult;
           }
           break;
 
@@ -666,8 +679,10 @@ void FlatSourceDomain::random_ray_tally()
           break;
 
         case SCORE_KAPPA_FISSION:
-          score = flux * volume * kappa_fission_[material * negroups_ + g] *
-                  density_mult;
+          score =
+            flux * volume *
+            kappa_fission_[(material * ntemperature_ + temp) * negroups_ + g] *
+            density_mult;
           break;
 
         default:
@@ -925,12 +940,14 @@ void FlatSourceDomain::output_to_vtk() const
         float total_fission = 0.0;
         if (fsr >= 0) {
           int mat = source_regions_.material(fsr);
+          int temp = source_regions_.temperature_idx(fsr);
           if (mat != MATERIAL_VOID) {
             for (int g = 0; g < negroups_; g++) {
               int64_t source_element = fsr * negroups_ + g;
               float flux = evaluate_flux_at_point(voxel_positions[i], fsr, g);
-              double sigma_f = sigma_f_[mat * negroups_ + g] *
-                               source_regions_.density_mult(fsr);
+              double sigma_f =
+                sigma_f_[(mat * ntemperature_ + temp) * negroups_ + g] *
+                source_regions_.density_mult(fsr);
               total_fission += sigma_f * flux;
             }
           }
@@ -944,6 +961,7 @@ void FlatSourceDomain::output_to_vtk() const
       for (int i = 0; i < Nx * Ny * Nz; i++) {
         int64_t fsr = voxel_indices[i];
         int mat = source_regions_.material(fsr);
+        int temp = source_regions_.temperature_idx(fsr);
         float total_external = 0.0f;
         if (fsr >= 0) {
           for (int g = 0; g < negroups_; g++) {
@@ -951,7 +969,7 @@ void FlatSourceDomain::output_to_vtk() const
             // multiply it back to get the true external source.
             double sigma_t = 1.0;
             if (mat != MATERIAL_VOID) {
-              sigma_t = sigma_t_[mat * negroups_ + g] *
+              sigma_t = sigma_t_[(mat * ntemperature_ + temp) * negroups_ + g] *
                         source_regions_.density_mult(fsr);
             }
             total_external += source_regions_.external_source(fsr, g) * sigma_t;
@@ -1131,67 +1149,74 @@ void FlatSourceDomain::flatten_xs()
 {
   // Temperature and angle indices, if using multiple temperature
   // data sets and/or anisotropic data sets.
-  // TODO: Currently assumes we are only using single temp/single angle data.
-  const int t = 0;
+  // TODO: Currently assumes we are only using single angle data.
   const int a = 0;
 
   n_materials_ = data::mg.macro_xs_.size();
+  ntemperature_ = 1;
+  for (int i = 0; i < n_materials_; i++) {
+    ntemperature_ =
+      std::max(ntemperature_, data::mg.macro_xs_[i].n_temperature_points());
+  }
+
   for (int i = 0; i < n_materials_; i++) {
     auto& m = data::mg.macro_xs_[i];
-    for (int g_out = 0; g_out < negroups_; g_out++) {
-      if (m.exists_in_model) {
-        double sigma_t =
-          m.get_xs(MgxsType::TOTAL, g_out, NULL, NULL, NULL, t, a);
-        sigma_t_.push_back(sigma_t);
+    for (int t = 0; t < ntemperature_; t++) {
+      for (int g_out = 0; g_out < negroups_; g_out++) {
+        if (m.exists_in_model && t < m.n_temperature_points()) {
+          double sigma_t =
+            m.get_xs(MgxsType::TOTAL, g_out, NULL, NULL, NULL, t, a);
+          sigma_t_.push_back(sigma_t);
 
-        if (sigma_t < MINIMUM_MACRO_XS) {
-          Material* mat = model::materials[i].get();
-          warning(fmt::format(
-            "Material \"{}\" (id: {}) has a group {} total cross section "
-            "({:.3e}) below the minimum threshold "
-            "({:.3e}). Material will be treated as pure void.",
-            mat->name(), mat->id(), g_out, sigma_t, MINIMUM_MACRO_XS));
-        }
+          if (sigma_t < MINIMUM_MACRO_XS) {
+            Material* mat = model::materials[i].get();
+            warning(fmt::format(
+              "Material \"{}\" (id: {}) has a group {} total cross section "
+              "({:.3e}) below the minimum threshold "
+              "({:.3e}). Material will be treated as pure void.",
+              mat->name(), mat->id(), g_out, sigma_t, MINIMUM_MACRO_XS));
+          }
 
-        double nu_sigma_f =
-          m.get_xs(MgxsType::NU_FISSION, g_out, NULL, NULL, NULL, t, a);
-        nu_sigma_f_.push_back(nu_sigma_f);
+          double nu_sigma_f =
+            m.get_xs(MgxsType::NU_FISSION, g_out, NULL, NULL, NULL, t, a);
+          nu_sigma_f_.push_back(nu_sigma_f);
 
-        double sigma_f =
-          m.get_xs(MgxsType::FISSION, g_out, NULL, NULL, NULL, t, a);
-        sigma_f_.push_back(sigma_f);
+          double sigma_f =
+            m.get_xs(MgxsType::FISSION, g_out, NULL, NULL, NULL, t, a);
+          sigma_f_.push_back(sigma_f);
 
-        double chi =
-          m.get_xs(MgxsType::CHI_PROMPT, g_out, &g_out, NULL, NULL, t, a);
-        if (!std::isfinite(chi)) {
-          // MGXS interface may return NaN in some cases, such as when material
-          // is fissionable but has very small sigma_f.
-          chi = 0.0;
-        }
-        chi_.push_back(chi);
+          double chi =
+            m.get_xs(MgxsType::CHI_PROMPT, g_out, &g_out, NULL, NULL, t, a);
+          if (!std::isfinite(chi)) {
+            // MGXS interface may return NaN in some cases, such as when
+            // material is fissionable but has very small sigma_f.
+            chi = 0.0;
+          }
+          chi_.push_back(chi);
 
-        double kappa_fission =
-          m.get_xs(MgxsType::KAPPA_FISSION, g_out, NULL, NULL, NULL, t, a);
-        kappa_fission_.push_back(kappa_fission);
+          double kappa_fission =
+            m.get_xs(MgxsType::KAPPA_FISSION, g_out, NULL, NULL, NULL, t, a);
+          kappa_fission_.push_back(kappa_fission);
 
-        for (int g_in = 0; g_in < negroups_; g_in++) {
-          double sigma_s =
-            m.get_xs(MgxsType::NU_SCATTER, g_in, &g_out, NULL, NULL, t, a);
-          sigma_s_.push_back(sigma_s);
-          // For transport corrected XS data, diagonal elements may be negative.
-          // In this case, set a flag to enable transport stabilization for the
-          // simulation.
-          if (g_out == g_in && sigma_s < 0.0)
-            is_transport_stabilization_needed_ = true;
-        }
-      } else {
-        sigma_t_.push_back(0);
-        nu_sigma_f_.push_back(0);
-        sigma_f_.push_back(0);
-        chi_.push_back(0);
-        kappa_fission_.push_back(0);
-        for (int g_in = 0; g_in < negroups_; g_in++) {
-          sigma_s_.push_back(0);
+          for (int g_in = 0; g_in < negroups_; g_in++) {
+            double sigma_s =
+              m.get_xs(MgxsType::NU_SCATTER, g_in, &g_out, NULL, NULL, t, a);
+            sigma_s_.push_back(sigma_s);
+            // For transport corrected XS data, diagonal elements may be
+            // negative. In this case, set a flag to enable transport
+            // stabilization for the simulation.
+            if (g_out == g_in && sigma_s < 0.0)
+              is_transport_stabilization_needed_ = true;
+          }
+        } else {
+          sigma_t_.push_back(0);
+          nu_sigma_f_.push_back(0);
+          sigma_f_.push_back(0);
+          chi_.push_back(0);
+          kappa_fission_.push_back(0);
+          for (int g_in = 0; g_in < negroups_; g_in++) {
+            sigma_s_.push_back(0);
+          }
         }
       }
     }
@@ -1263,12 +1288,14 @@ void FlatSourceDomain::set_adjoint_sources()
 #pragma omp parallel for
   for (int64_t sr = 0; sr < n_source_regions(); sr++) {
     int material = source_regions_.material(sr);
+    int temp = source_regions_.temperature_idx(sr);
     if (material == MATERIAL_VOID) {
       continue;
     }
     for (int g = 0; g < negroups_; g++) {
       double sigma_t =
-        sigma_t_[material * negroups_ + g] * source_regions_.density_mult(sr);
+        sigma_t_[(material * ntemperature_ + temp) * negroups_ + g] *
+        source_regions_.density_mult(sr);
       source_regions_.external_source(sr, g) /= sigma_t;
     }
   }
@@ -1279,15 +1306,17 @@ void FlatSourceDomain::transpose_scattering_matrix()
   // Transpose the inner two dimensions for each material
 #pragma omp parallel for
   for (int m = 0; m < n_materials_; ++m) {
-    int material_offset = m * negroups_ * negroups_;
-    for (int i = 0; i < negroups_; ++i) {
-      for (int j = i + 1; j < negroups_; ++j) {
-        // Calculate indices of the elements to swap
-        int idx1 = material_offset + i * negroups_ + j;
-        int idx2 = material_offset + j * negroups_ + i;
+    for (int t = 0; t < ntemperature_; t++) {
+      int material_offset = (m * ntemperature_ + t) * negroups_ * negroups_;
+      for (int i = 0; i < negroups_; ++i) {
+        for (int j = i + 1; j < negroups_; ++j) {
+          // Calculate indices of the elements to swap
+          int idx1 = material_offset + i * negroups_ + j;
+          int idx2 = material_offset + j * negroups_ + i;
 
-        // Swap the elements to transpose the matrix
-        std::swap(sigma_s_[idx1], sigma_s_[idx2]);
+          // Swap the elements to transpose the matrix
+          std::swap(sigma_s_[idx1], sigma_s_[idx2]);
+        }
       }
     }
   }
@@ -1507,18 +1536,26 @@ SourceRegionHandle FlatSourceDomain::get_subdivided_source_region_handle(
   int gs_i_cell = gs.lowest_coord().cell();
   Cell& cell = *model::cells[gs_i_cell];
   int material = cell.material(gs.cell_instance());
+  int temp = 0;
 
   // If material total XS is extremely low, just set it to void to avoid
   // problems with 1/Sigma_t
-  for (int g = 0; g < negroups_; g++) {
-    double sigma_t = sigma_t_[material * negroups_ + g];
-    if (sigma_t < MINIMUM_MACRO_XS) {
-      material = MATERIAL_VOID;
-      break;
+  if (material != MATERIAL_VOID) {
+    temp = data::mg.macro_xs_[material].get_temperature_index(
+      cell.sqrtkT(gs.cell_instance()));
+    for (int g = 0; g < negroups_; g++) {
+      double sigma_t =
+        sigma_t_[(material * ntemperature_ + temp) * negroups_ + g];
+      if (sigma_t < MINIMUM_MACRO_XS) {
+        material = MATERIAL_VOID;
+        temp = 0;
+        break;
+      }
     }
   }
 
   handle.material() = material;
+  handle.temperature_idx() = temp;
 
   handle.density_mult() = cell.density_mult(gs.cell_instance());
 
@@ -1551,7 +1588,8 @@ SourceRegionHandle FlatSourceDomain::get_subdivided_source_region_handle(
     if (material != C_NONE) {
       for (int g = 0; g < negroups_; g++) {
         double sigma_t =
-          sigma_t_[material * negroups_ + g] * handle.density_mult();
+          sigma_t_[(material * ntemperature_ + temp) * negroups_ + g] *
+          handle.density_mult();
         handle.external_source(g) /= sigma_t;
       }
     }
@@ -1626,6 +1664,7 @@ void FlatSourceDomain::apply_transport_stabilization()
 #pragma omp parallel for
   for (int64_t sr = 0; sr < n_source_regions(); sr++) {
     int material = source_regions_.material(sr);
+    int temp = source_regions_.temperature_idx(sr);
     double density_mult = source_regions_.density_mult(sr);
     if (material == MATERIAL_VOID) {
       continue;
@@ -1634,10 +1673,14 @@ void FlatSourceDomain::apply_transport_stabilization()
       // Only apply stabilization if the diagonal (in-group) scattering XS is
       // negative
       double sigma_s =
-        sigma_s_[material * negroups_ * negroups_ + g * negroups_ + g] *
+        sigma_s_[((material * ntemperature_ + temp) * negroups_ + g) *
+                   negroups_ +
+                 g] *
         density_mult;
       if (sigma_s < 0.0) {
-        double sigma_t = sigma_t_[material * negroups_ + g] * density_mult;
+        double sigma_t =
+          sigma_t_[(material * ntemperature_ + temp) * negroups_ + g] *
+          density_mult;
         double phi_new = source_regions_.scalar_flux_new(sr, g);
         double phi_old = source_regions_.scalar_flux_old(sr, g);
 
diff --git a/src/random_ray/linear_source_domain.cpp b/src/random_ray/linear_source_domain.cpp
index 02f4c9e23..b4701ed1f 100644
--- a/src/random_ray/linear_source_domain.cpp
+++ b/src/random_ray/linear_source_domain.cpp
@@ -43,13 +43,16 @@ void LinearSourceDomain::update_single_neutron_source(SourceRegionHandle& srh)
 
   // Add scattering + fission source
   int material = srh.material();
+  int temp = srh.temperature_idx();
   double density_mult = srh.density_mult();
   if (material != MATERIAL_VOID) {
     double inverse_k_eff = 1.0 / k_eff_;
     MomentMatrix invM = srh.mom_matrix().inverse();
 
     for (int g_out = 0; g_out < negroups_; g_out++) {
-      double sigma_t = sigma_t_[material * negroups_ + g_out] * density_mult;
+      double sigma_t =
+        sigma_t_[(material * ntemperature_ + temp) * negroups_ + g_out] *
+        density_mult;
 
       double scatter_flat = 0.0f;
       double fission_flat = 0.0f;
@@ -62,12 +65,16 @@ void LinearSourceDomain::update_single_neutron_source(SourceRegionHandle& srh)
         MomentArray flux_linear = srh.flux_moments_old(g_in);
 
         // Handles for cross sections
-        double sigma_s = sigma_s_[material * negroups_ * negroups_ +
-                                  g_out * negroups_ + g_in] *
-                         density_mult;
+        double sigma_s =
+          sigma_s_[((material * ntemperature_ + temp) * negroups_ + g_out) *
+                     negroups_ +
+                   g_in] *
+          density_mult;
         double nu_sigma_f =
-          nu_sigma_f_[material * negroups_ + g_in] * density_mult;
-        double chi = chi_[material * negroups_ + g_out];
+          nu_sigma_f_[(material * ntemperature_ + temp) * negroups_ + g_in] *
+          density_mult;
+        double chi =
+          chi_[(material * ntemperature_ + temp) * negroups_ + g_out];
 
         // Compute source terms for flat and linear components of the flux
         scatter_flat += sigma_s * flux_flat;
diff --git a/src/random_ray/random_ray.cpp b/src/random_ray/random_ray.cpp
index 1b61d8c20..47d901d63 100644
--- a/src/random_ray/random_ray.cpp
+++ b/src/random_ray/random_ray.cpp
@@ -432,11 +432,13 @@ void RandomRay::attenuate_flux_flat_source(
 
   // Get material
   int material = srh.material();
+  int temp = srh.temperature_idx();
 
   // MOC incoming flux attenuation + source contribution/attenuation equation
   for (int g = 0; g < negroups_; g++) {
     float sigma_t =
-      domain_->sigma_t_[material * negroups_ + g] * srh.density_mult();
+      domain_->sigma_t_[(material * ntemperature_ + temp) * negroups_ + g] *
+      srh.density_mult();
     float tau = sigma_t * distance;
     float exponential = cjosey_exponential(tau); // exponential = 1 - exp(-tau)
     float new_delta_psi = (angular_flux_[g] - srh.source(g)) * exponential;
@@ -531,6 +533,7 @@ void RandomRay::attenuate_flux_linear_source(
   n_event()++;
 
   int material = srh.material();
+  int temp = srh.temperature_idx();
 
   Position& centroid = srh.centroid();
   Position midpoint = r + u() * (distance / 2.0);
@@ -560,7 +563,8 @@ void RandomRay::attenuate_flux_linear_source(
 
     // Compute tau, the optical thickness of the ray segment
     float sigma_t =
-      domain_->sigma_t_[material * negroups_ + g] * srh.density_mult();
+      domain_->sigma_t_[(material * ntemperature_ + temp) * negroups_ + g] *
+      srh.density_mult();
     float tau = sigma_t * distance;
 
     // If tau is very small, set it to zero to avoid numerical issues.
@@ -765,6 +769,7 @@ void RandomRay::attenuate_flux_linear_source_void(
 void RandomRay::initialize_ray(uint64_t ray_id, FlatSourceDomain* domain)
 {
   domain_ = domain;
+  ntemperature_ = domain->ntemperature_;
 
   // Reset particle event counter
   n_event() = 0;
diff --git a/src/random_ray/random_ray_simulation.cpp b/src/random_ray/random_ray_simulation.cpp
index af3916e3f..5970dc65a 100644
--- a/src/random_ray/random_ray_simulation.cpp
+++ b/src/random_ray/random_ray_simulation.cpp
@@ -79,10 +79,6 @@ void validate_random_ray_inputs()
       fatal_error("Anisotropic MGXS detected. Only isotropic XS data sets "
                   "supported in random ray mode.");
     }
-    if (material.get_xsdata().size() > 1) {
-      warning("Non-isothermal MGXS detected. Only isothermal XS data sets "
-              "supported in random ray mode. Using lowest temperature.");
-    }
     for (int g = 0; g < data::mg.num_energy_groups_; g++) {
       if (material.exists_in_model) {
         // Temperature and angle indices, if using multiple temperature
diff --git a/src/random_ray/source_region.cpp b/src/random_ray/source_region.cpp
index 15c65221a..78543c5ab 100644
--- a/src/random_ray/source_region.cpp
+++ b/src/random_ray/source_region.cpp
@@ -11,11 +11,11 @@ namespace openmc {
 //==============================================================================
 SourceRegionHandle::SourceRegionHandle(SourceRegion& sr)
   : negroups_(sr.scalar_flux_old_.size()), material_(&sr.material_),
-    density_mult_(&sr.density_mult_), is_small_(&sr.is_small_),
-    n_hits_(&sr.n_hits_), is_linear_(sr.source_gradients_.size() > 0),
-    lock_(&sr.lock_), volume_(&sr.volume_), volume_t_(&sr.volume_t_),
-    volume_sq_(&sr.volume_sq_), volume_sq_t_(&sr.volume_sq_t_),
-    volume_naive_(&sr.volume_naive_),
+    temperature_idx_(&sr.temperature_idx_), density_mult_(&sr.density_mult_),
+    is_small_(&sr.is_small_), n_hits_(&sr.n_hits_),
+    is_linear_(sr.source_gradients_.size() > 0), lock_(&sr.lock_),
+    volume_(&sr.volume_), volume_t_(&sr.volume_t_), volume_sq_(&sr.volume_sq_),
+    volume_sq_t_(&sr.volume_sq_t_), volume_naive_(&sr.volume_naive_),
     position_recorded_(&sr.position_recorded_),
     external_source_present_(&sr.external_source_present_),
     position_(&sr.position_), centroid_(&sr.centroid_),
@@ -71,6 +71,7 @@ void SourceRegionContainer::push_back(const SourceRegion& sr)
 
   // Scalar fields
   material_.push_back(sr.material_);
+  temperature_idx_.push_back(sr.temperature_idx_);
   density_mult_.push_back(sr.density_mult_);
   is_small_.push_back(sr.is_small_);
   n_hits_.push_back(sr.n_hits_);
@@ -125,6 +126,7 @@ void SourceRegionContainer::assign(
   // Clear existing data
   n_source_regions_ = 0;
   material_.clear();
+  temperature_idx_.clear();
   density_mult_.clear();
   is_small_.clear();
   n_hits_.clear();
@@ -183,6 +185,7 @@ SourceRegionHandle SourceRegionContainer::get_source_region_handle(int64_t sr)
   SourceRegionHandle handle;
   handle.negroups_ = negroups();
   handle.material_ = &material(sr);
+  handle.temperature_idx_ = &temperature_idx(sr);
   handle.density_mult_ = &density_mult(sr);
   handle.is_small_ = &is_small(sr);
   handle.n_hits_ = &n_hits(sr);
diff --git a/tests/regression_tests/random_ray_auto_convert_temperature/__init__.py b/tests/regression_tests/random_ray_auto_convert_temperature/__init__.py
new file mode 100644
index 000000000..e69de29bb
diff --git a/tests/regression_tests/random_ray_auto_convert_temperature/infinite_medium/inputs_true.dat b/tests/regression_tests/random_ray_auto_convert_temperature/infinite_medium/inputs_true.dat
new file mode 100644
index 000000000..08a30176b
--- /dev/null
+++ b/tests/regression_tests/random_ray_auto_convert_temperature/infinite_medium/inputs_true.dat
@@ -0,0 +1,70 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <cross_sections>mgxs.h5</cross_sections>
+    <material id="1" name="UO2__2_4__" depletable="true" temperature="294.0">
+      <density value="1.0" units="macro"/>
+      <macroscopic name="UO2__2_4__"/>
+    </material>
+    <material id="2" name="Zircaloy" temperature="294.0">
+      <density value="1.0" units="macro"/>
+      <macroscopic name="Zircaloy"/>
+    </material>
+    <material id="3" name="Hot_borated_water" temperature="294.0">
+      <density value="1.0" units="macro"/>
+      <macroscopic name="Hot_borated_water"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" name="Fuel" material="1" region="-1" universe="0">
+      <temperature>395.0</temperature>
+    </cell>
+    <cell id="2" name="Cladding" material="2" region="1 -2" universe="0"/>
+    <cell id="3" name="Water" material="3" region="2 3 -4 5 -6" universe="0"/>
+    <surface id="1" name="Fuel OR" type="z-cylinder" coeffs="0 0 0.39218"/>
+    <surface id="2" name="Clad OR" type="z-cylinder" coeffs="0 0 0.4572"/>
+    <surface id="3" name="left" type="x-plane" boundary="reflective" coeffs="-0.63"/>
+    <surface id="4" name="right" type="x-plane" boundary="reflective" coeffs="0.63"/>
+    <surface id="5" name="bottom" type="y-plane" boundary="reflective" coeffs="-0.63"/>
+    <surface id="6" name="top" type="y-plane" boundary="reflective" coeffs="0.63"/>
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>10</batches>
+    <inactive>5</inactive>
+    <source type="independent" strength="1.0" particle="neutron">
+      <space type="box">
+        <parameters>-0.63 -0.63 -1 0.63 0.63 1</parameters>
+      </space>
+      <constraints>
+        <fissionable>true</fissionable>
+      </constraints>
+    </source>
+    <energy_mode>multi-group</energy_mode>
+    <temperature_method>nearest</temperature_method>
+    <temperature_multipole>true</temperature_multipole>
+    <temperature_range>200.0 400.0</temperature_range>
+    <temperature_tolerance>200.0</temperature_tolerance>
+    <random_ray>
+      <source type="independent" strength="1.0" particle="neutron">
+        <space type="box">
+          <parameters>-0.63 -0.63 -1.0 0.63 0.63 1.0</parameters>
+        </space>
+      </source>
+      <distance_inactive>30.0</distance_inactive>
+      <distance_active>150.0</distance_active>
+      <source_region_meshes>
+        <mesh id="1">
+          <domain id="0" type="universe"/>
+        </mesh>
+      </source_region_meshes>
+      <source_shape>linear</source_shape>
+    </random_ray>
+    <mesh id="1">
+      <dimension>2 2</dimension>
+      <lower_left>-0.63 -0.63</lower_left>
+      <upper_right>0.63 0.63</upper_right>
+    </mesh>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/random_ray_auto_convert_temperature/infinite_medium/results_true.dat b/tests/regression_tests/random_ray_auto_convert_temperature/infinite_medium/results_true.dat
new file mode 100644
index 000000000..fee8bf670
--- /dev/null
+++ b/tests/regression_tests/random_ray_auto_convert_temperature/infinite_medium/results_true.dat
@@ -0,0 +1,2 @@
+k-combined:
+7.499800E-01 1.615317E-02
diff --git a/tests/regression_tests/random_ray_auto_convert_temperature/material_wise/inputs_true.dat b/tests/regression_tests/random_ray_auto_convert_temperature/material_wise/inputs_true.dat
new file mode 100644
index 000000000..08a30176b
--- /dev/null
+++ b/tests/regression_tests/random_ray_auto_convert_temperature/material_wise/inputs_true.dat
@@ -0,0 +1,70 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <cross_sections>mgxs.h5</cross_sections>
+    <material id="1" name="UO2__2_4__" depletable="true" temperature="294.0">
+      <density value="1.0" units="macro"/>
+      <macroscopic name="UO2__2_4__"/>
+    </material>
+    <material id="2" name="Zircaloy" temperature="294.0">
+      <density value="1.0" units="macro"/>
+      <macroscopic name="Zircaloy"/>
+    </material>
+    <material id="3" name="Hot_borated_water" temperature="294.0">
+      <density value="1.0" units="macro"/>
+      <macroscopic name="Hot_borated_water"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" name="Fuel" material="1" region="-1" universe="0">
+      <temperature>395.0</temperature>
+    </cell>
+    <cell id="2" name="Cladding" material="2" region="1 -2" universe="0"/>
+    <cell id="3" name="Water" material="3" region="2 3 -4 5 -6" universe="0"/>
+    <surface id="1" name="Fuel OR" type="z-cylinder" coeffs="0 0 0.39218"/>
+    <surface id="2" name="Clad OR" type="z-cylinder" coeffs="0 0 0.4572"/>
+    <surface id="3" name="left" type="x-plane" boundary="reflective" coeffs="-0.63"/>
+    <surface id="4" name="right" type="x-plane" boundary="reflective" coeffs="0.63"/>
+    <surface id="5" name="bottom" type="y-plane" boundary="reflective" coeffs="-0.63"/>
+    <surface id="6" name="top" type="y-plane" boundary="reflective" coeffs="0.63"/>
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>10</batches>
+    <inactive>5</inactive>
+    <source type="independent" strength="1.0" particle="neutron">
+      <space type="box">
+        <parameters>-0.63 -0.63 -1 0.63 0.63 1</parameters>
+      </space>
+      <constraints>
+        <fissionable>true</fissionable>
+      </constraints>
+    </source>
+    <energy_mode>multi-group</energy_mode>
+    <temperature_method>nearest</temperature_method>
+    <temperature_multipole>true</temperature_multipole>
+    <temperature_range>200.0 400.0</temperature_range>
+    <temperature_tolerance>200.0</temperature_tolerance>
+    <random_ray>
+      <source type="independent" strength="1.0" particle="neutron">
+        <space type="box">
+          <parameters>-0.63 -0.63 -1.0 0.63 0.63 1.0</parameters>
+        </space>
+      </source>
+      <distance_inactive>30.0</distance_inactive>
+      <distance_active>150.0</distance_active>
+      <source_region_meshes>
+        <mesh id="1">
+          <domain id="0" type="universe"/>
+        </mesh>
+      </source_region_meshes>
+      <source_shape>linear</source_shape>
+    </random_ray>
+    <mesh id="1">
+      <dimension>2 2</dimension>
+      <lower_left>-0.63 -0.63</lower_left>
+      <upper_right>0.63 0.63</upper_right>
+    </mesh>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/random_ray_auto_convert_temperature/material_wise/results_true.dat b/tests/regression_tests/random_ray_auto_convert_temperature/material_wise/results_true.dat
new file mode 100644
index 000000000..ef0a4b87a
--- /dev/null
+++ b/tests/regression_tests/random_ray_auto_convert_temperature/material_wise/results_true.dat
@@ -0,0 +1,2 @@
+k-combined:
+7.367927E-01 6.850805E-03
diff --git a/tests/regression_tests/random_ray_auto_convert_temperature/stochastic_slab/inputs_true.dat b/tests/regression_tests/random_ray_auto_convert_temperature/stochastic_slab/inputs_true.dat
new file mode 100644
index 000000000..08a30176b
--- /dev/null
+++ b/tests/regression_tests/random_ray_auto_convert_temperature/stochastic_slab/inputs_true.dat
@@ -0,0 +1,70 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <cross_sections>mgxs.h5</cross_sections>
+    <material id="1" name="UO2__2_4__" depletable="true" temperature="294.0">
+      <density value="1.0" units="macro"/>
+      <macroscopic name="UO2__2_4__"/>
+    </material>
+    <material id="2" name="Zircaloy" temperature="294.0">
+      <density value="1.0" units="macro"/>
+      <macroscopic name="Zircaloy"/>
+    </material>
+    <material id="3" name="Hot_borated_water" temperature="294.0">
+      <density value="1.0" units="macro"/>
+      <macroscopic name="Hot_borated_water"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" name="Fuel" material="1" region="-1" universe="0">
+      <temperature>395.0</temperature>
+    </cell>
+    <cell id="2" name="Cladding" material="2" region="1 -2" universe="0"/>
+    <cell id="3" name="Water" material="3" region="2 3 -4 5 -6" universe="0"/>
+    <surface id="1" name="Fuel OR" type="z-cylinder" coeffs="0 0 0.39218"/>
+    <surface id="2" name="Clad OR" type="z-cylinder" coeffs="0 0 0.4572"/>
+    <surface id="3" name="left" type="x-plane" boundary="reflective" coeffs="-0.63"/>
+    <surface id="4" name="right" type="x-plane" boundary="reflective" coeffs="0.63"/>
+    <surface id="5" name="bottom" type="y-plane" boundary="reflective" coeffs="-0.63"/>
+    <surface id="6" name="top" type="y-plane" boundary="reflective" coeffs="0.63"/>
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>10</batches>
+    <inactive>5</inactive>
+    <source type="independent" strength="1.0" particle="neutron">
+      <space type="box">
+        <parameters>-0.63 -0.63 -1 0.63 0.63 1</parameters>
+      </space>
+      <constraints>
+        <fissionable>true</fissionable>
+      </constraints>
+    </source>
+    <energy_mode>multi-group</energy_mode>
+    <temperature_method>nearest</temperature_method>
+    <temperature_multipole>true</temperature_multipole>
+    <temperature_range>200.0 400.0</temperature_range>
+    <temperature_tolerance>200.0</temperature_tolerance>
+    <random_ray>
+      <source type="independent" strength="1.0" particle="neutron">
+        <space type="box">
+          <parameters>-0.63 -0.63 -1.0 0.63 0.63 1.0</parameters>
+        </space>
+      </source>
+      <distance_inactive>30.0</distance_inactive>
+      <distance_active>150.0</distance_active>
+      <source_region_meshes>
+        <mesh id="1">
+          <domain id="0" type="universe"/>
+        </mesh>
+      </source_region_meshes>
+      <source_shape>linear</source_shape>
+    </random_ray>
+    <mesh id="1">
+      <dimension>2 2</dimension>
+      <lower_left>-0.63 -0.63</lower_left>
+      <upper_right>0.63 0.63</upper_right>
+    </mesh>
+  </settings>
+  </model>
diff --git a/tests/regression_tests/random_ray_auto_convert_temperature/stochastic_slab/results_true.dat b/tests/regression_tests/random_ray_auto_convert_temperature/stochastic_slab/results_true.dat
new file mode 100644
index 000000000..a702ec851
--- /dev/null
+++ b/tests/regression_tests/random_ray_auto_convert_temperature/stochastic_slab/results_true.dat
@@ -0,0 +1,2 @@
+k-combined:
+6.431774E-01 2.076589E-02
diff --git a/tests/regression_tests/random_ray_auto_convert_temperature/test.py b/tests/regression_tests/random_ray_auto_convert_temperature/test.py
new file mode 100644
index 000000000..99c99e614
--- /dev/null
+++ b/tests/regression_tests/random_ray_auto_convert_temperature/test.py
@@ -0,0 +1,73 @@
+import os
+
+import openmc
+from openmc.examples import pwr_pin_cell
+from openmc import RegularMesh
+from openmc.utility_funcs import change_directory
+import pytest
+
+from tests.testing_harness import TolerantPyAPITestHarness
+
+
+class MGXSTestHarness(TolerantPyAPITestHarness):
+    def _cleanup(self):
+        super()._cleanup()
+        f = 'mgxs.h5'
+        if os.path.exists(f):
+            os.remove(f)
+
+
+@pytest.mark.parametrize("method", ["material_wise", "stochastic_slab", "infinite_medium"])
+def test_random_ray_auto_convert(method):
+    with change_directory(method):
+        openmc.reset_auto_ids()
+
+        # Start with a normal continuous energy model
+        model = pwr_pin_cell()
+
+        temp_settings = {
+          'method' : 'nearest',
+          'tolerance' : 200.0,
+          'range' : (200.0, 400.0),
+          'multipole' : True
+        }
+
+        # Convert to a multi-group model
+        model.convert_to_multigroup(
+            method=method, groups='CASMO-2', nparticles=100,
+            overwrite_mgxs_library=False, mgxs_path="mgxs.h5",
+            temperatures=[294.0, 394.0], temperature_settings=temp_settings
+        )
+
+        # Convert to a random ray model
+        model.convert_to_random_ray()
+        model.settings.temperature = temp_settings
+
+        # Set all material temperatures to room temperature
+        for mat in model.geometry.get_all_materials().values():
+            mat.temperature = 294.0
+
+        # Set the cell temperature of the fuel such that it moves up to the next
+        # temperature bin.
+        for cell in model.geometry.get_all_cells().values():
+            if cell.name == "Fuel":
+                cell.temperature = [395.0]
+
+        # Set the number of particles
+        model.settings.particles = 100
+
+        # Overlay a basic 2x2 mesh
+        n = 2
+        mesh = RegularMesh()
+        mesh.dimension = (n, n)
+        bbox = model.geometry.bounding_box
+        mesh.lower_left = (bbox.lower_left[0], bbox.lower_left[1])
+        mesh.upper_right = (bbox.upper_right[0], bbox.upper_right[1])
+        model.settings.random_ray['source_region_meshes'] = [
+            (mesh, [model.geometry.root_universe])]
+
+        # Set the source shape to linear
+        model.settings.random_ray['source_shape'] = 'linear'
+
+        harness = MGXSTestHarness('statepoint.10.h5', model)
+        harness.main()
diff --git a/tests/regression_tests/random_ray_cell_density/test.py b/tests/regression_tests/random_ray_cell_density/test.py
index cb6062cdc..48ebe0baa 100644
--- a/tests/regression_tests/random_ray_cell_density/test.py
+++ b/tests/regression_tests/random_ray_cell_density/test.py
@@ -22,7 +22,7 @@ def test_random_ray_basic(run_mode):
         if run_mode == "eigen":
             openmc.reset_auto_ids()
             model = random_ray_lattice()
-            # Double the densities of the lower-left fuel pin -> cell instances [0, 9).
+            # Double the densities of the lower-left fuel pin -> cell instances [0, 8).
             for id, cell in model.geometry.get_all_cells().items():
                 if cell.fill.name == "UO2 fuel":
                     cell.density = [((i < 8) + 1.0) for i in range(24)]
diff --git a/tests/regression_tests/random_ray_cell_temperature/__init__.py b/tests/regression_tests/random_ray_cell_temperature/__init__.py
new file mode 100644
index 000000000..e69de29bb
diff --git a/tests/regression_tests/random_ray_cell_temperature/inputs_true.dat b/tests/regression_tests/random_ray_cell_temperature/inputs_true.dat
new file mode 100644
index 000000000..e8674e6ea
--- /dev/null
+++ b/tests/regression_tests/random_ray_cell_temperature/inputs_true.dat
@@ -0,0 +1,118 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <cross_sections>mgxs.h5</cross_sections>
+    <material id="1" name="UO2 fuel">
+      <density value="1.0" units="macro"/>
+      <macroscopic name="UO2"/>
+    </material>
+    <material id="2" name="Water">
+      <density value="1.0" units="macro"/>
+      <macroscopic name="LWTR"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" name="fuel inner a" material="1" region="-2" universe="1">
+      <temperature>395.0 395.0 395.0 395.0 395.0 395.0 395.0 395.0 295.0 295.0 295.0 295.0 295.0 295.0 295.0 295.0 295.0 295.0 295.0 295.0 295.0 295.0 295.0 295.0</temperature>
+    </cell>
+    <cell id="2" name="fuel inner b" material="1" region="2 -3" universe="1">
+      <temperature>395.0 395.0 395.0 395.0 395.0 395.0 395.0 395.0 295.0 295.0 295.0 295.0 295.0 295.0 295.0 295.0 295.0 295.0 295.0 295.0 295.0 295.0 295.0 295.0</temperature>
+    </cell>
+    <cell id="3" name="fuel inner c" material="1" region="3 -1" universe="1">
+      <temperature>395.0 395.0 395.0 395.0 395.0 395.0 395.0 395.0 295.0 295.0 295.0 295.0 295.0 295.0 295.0 295.0 295.0 295.0 295.0 295.0 295.0 295.0 295.0 295.0</temperature>
+    </cell>
+    <cell id="4" name="moderator inner a" material="2" region="1 -4" universe="1"/>
+    <cell id="5" name="moderator outer b" material="2" region="4 -5" universe="1"/>
+    <cell id="6" name="moderator outer c" material="2" region="5" universe="1"/>
+    <cell id="7" name="azimuthal_cell_0" fill="1" region="6 -7" universe="2"/>
+    <cell id="8" name="azimuthal_cell_1" fill="1" region="7 -8" universe="2"/>
+    <cell id="9" name="azimuthal_cell_2" fill="1" region="8 -9" universe="2"/>
+    <cell id="10" name="azimuthal_cell_3" fill="1" region="9 -10" universe="2"/>
+    <cell id="11" name="azimuthal_cell_4" fill="1" region="10 -11" universe="2"/>
+    <cell id="12" name="azimuthal_cell_5" fill="1" region="11 -12" universe="2"/>
+    <cell id="13" name="azimuthal_cell_6" fill="1" region="12 -13" universe="2"/>
+    <cell id="14" name="azimuthal_cell_7" fill="1" region="13 -6" universe="2"/>
+    <cell id="15" name="moderator infinite" material="2" universe="3"/>
+    <cell id="16" fill="4" universe="5"/>
+    <cell id="17" name="assembly" fill="6" region="14 -15 16 -17" universe="7"/>
+    <lattice id="4">
+      <pitch>0.126 0.126</pitch>
+      <dimension>10 10</dimension>
+      <lower_left>-0.63 -0.63</lower_left>
+      <universes>
+3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 </universes>
+    </lattice>
+    <lattice id="6">
+      <pitch>1.26 1.26</pitch>
+      <dimension>2 2</dimension>
+      <lower_left>-1.26 -1.26</lower_left>
+      <universes>
+2 2 
+2 5 </universes>
+    </lattice>
+    <surface id="1" name="Fuel OR" type="z-cylinder" coeffs="0.0 0.0 0.54"/>
+    <surface id="2" name="inner ring a" type="z-cylinder" coeffs="0.0 0.0 0.33"/>
+    <surface id="3" name="inner ring b" type="z-cylinder" coeffs="0.0 0.0 0.45"/>
+    <surface id="4" name="outer ring a" type="z-cylinder" coeffs="0.0 0.0 0.6"/>
+    <surface id="5" name="outer ring b" type="z-cylinder" coeffs="0.0 0.0 0.69"/>
+    <surface id="6" type="plane" coeffs="-0.0 1.0 0 0"/>
+    <surface id="7" type="plane" coeffs="-0.7071067811865475 0.7071067811865476 0 0"/>
+    <surface id="8" type="plane" coeffs="-1.0 6.123233995736766e-17 0 0"/>
+    <surface id="9" type="plane" coeffs="-0.7071067811865476 -0.7071067811865475 0 0"/>
+    <surface id="10" type="plane" coeffs="-1.2246467991473532e-16 -1.0 0 0"/>
+    <surface id="11" type="plane" coeffs="0.7071067811865475 -0.7071067811865477 0 0"/>
+    <surface id="12" type="plane" coeffs="1.0 -1.8369701987210297e-16 0 0"/>
+    <surface id="13" type="plane" coeffs="0.7071067811865477 0.7071067811865474 0 0"/>
+    <surface id="14" name="minimum x" type="x-plane" boundary="reflective" coeffs="-1.26"/>
+    <surface id="15" name="maximum x" type="x-plane" boundary="reflective" coeffs="1.26"/>
+    <surface id="16" name="minimum y" type="y-plane" boundary="reflective" coeffs="-1.26"/>
+    <surface id="17" name="maximum y" type="y-plane" boundary="reflective" coeffs="1.26"/>
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>10</batches>
+    <inactive>5</inactive>
+    <energy_mode>multi-group</energy_mode>
+    <temperature_method>nearest</temperature_method>
+    <temperature_range>200.0 400.0</temperature_range>
+    <temperature_tolerance>10.0</temperature_tolerance>
+    <random_ray>
+      <distance_active>100.0</distance_active>
+      <distance_inactive>20.0</distance_inactive>
+      <source type="independent" strength="1.0" particle="neutron">
+        <space type="box">
+          <parameters>-1.26 -1.26 -1 1.26 1.26 1</parameters>
+        </space>
+      </source>
+      <volume_normalized_flux_tallies>true</volume_normalized_flux_tallies>
+    </random_ray>
+  </settings>
+  <tallies>
+    <mesh id="1">
+      <dimension>2 2</dimension>
+      <lower_left>-1.26 -1.26</lower_left>
+      <upper_right>1.26 1.26</upper_right>
+    </mesh>
+    <filter id="1" type="mesh">
+      <bins>1</bins>
+    </filter>
+    <filter id="2" type="energy">
+      <bins>1e-05 0.0635 10.0 100.0 1000.0 500000.0 1000000.0 20000000.0</bins>
+    </filter>
+    <tally id="1" name="Mesh tally">
+      <filters>1 2</filters>
+      <scores>flux fission nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/random_ray_cell_temperature/results_true.dat b/tests/regression_tests/random_ray_cell_temperature/results_true.dat
new file mode 100644
index 000000000..50476beb6
--- /dev/null
+++ b/tests/regression_tests/random_ray_cell_temperature/results_true.dat
@@ -0,0 +1,171 @@
+k-combined:
+8.721099E-01 6.686066E-03
+tally 1:
+1.530055E+00
+4.684582E-01
+2.918032E-01
+1.703772E-02
+7.101906E-01
+1.009209E-01
+7.732582E-01
+1.197247E-01
+5.787213E-02
+6.705930E-04
+1.408492E-01
+3.972179E-03
+4.223488E-01
+3.605283E-02
+6.818063E-03
+9.396342E-06
+1.659380E-02
+5.565812E-05
+5.958551E-01
+7.215230E-02
+9.932163E-03
+2.004773E-05
+2.417290E-02
+1.187504E-04
+1.685106E+00
+5.752729E-01
+9.834826E-03
+1.960236E-05
+2.393629E-02
+1.161151E-04
+4.400457E+00
+3.886563E+00
+3.318560E-03
+2.211175E-06
+8.211544E-03
+1.353859E-05
+2.814971E+00
+1.585202E+00
+1.876190E-02
+7.040316E-05
+5.218528E-02
+5.446713E-04
+1.970406E+00
+7.765020E-01
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+8.643086E-01
+1.494764E-01
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+4.421562E-01
+3.961223E-02
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+6.421077E-01
+8.385255E-02
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+1.717683E+00
+5.974687E-01
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+4.024715E+00
+3.251629E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+2.507885E+00
+1.258277E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+1.237600E+00
+3.066006E-01
+4.632318E-01
+4.294997E-02
+1.127413E+00
+2.544090E-01
+7.085300E-01
+1.005838E-01
+1.066845E-01
+2.280854E-03
+2.596486E-01
+1.351037E-02
+4.080999E-01
+3.359223E-02
+1.334606E-02
+3.590848E-05
+3.248163E-02
+2.126996E-04
+5.587686E-01
+6.339264E-02
+1.868162E-02
+7.084921E-05
+4.546734E-02
+4.196670E-04
+1.647852E+00
+5.503007E-01
+1.940765E-02
+7.635704E-05
+4.723492E-02
+4.523030E-04
+4.672431E+00
+4.381400E+00
+7.228567E-03
+1.048470E-05
+1.788658E-02
+6.419579E-05
+3.054158E+00
+1.866081E+00
+4.202691E-02
+3.534383E-04
+1.168957E-01
+2.734362E-03
+1.313678E+00
+3.454374E-01
+4.964081E-01
+4.934325E-02
+1.208158E+00
+2.922789E-01
+7.298176E-01
+1.067017E-01
+1.106319E-01
+2.452869E-03
+2.692559E-01
+1.452928E-02
+4.129038E-01
+3.441066E-02
+1.357107E-02
+3.713729E-05
+3.302926E-02
+2.199783E-04
+5.677464E-01
+6.543807E-02
+1.908992E-02
+7.390190E-05
+4.646105E-02
+4.377492E-04
+1.651067E+00
+5.522453E-01
+1.956802E-02
+7.754346E-05
+4.762523E-02
+4.593308E-04
+4.583305E+00
+4.217589E+00
+7.135836E-03
+1.022408E-05
+1.765713E-02
+6.260005E-05
+2.988394E+00
+1.786305E+00
+4.141550E-02
+3.431964E-04
+1.151951E-01
+2.655125E-03
diff --git a/tests/regression_tests/random_ray_cell_temperature/test.py b/tests/regression_tests/random_ray_cell_temperature/test.py
new file mode 100644
index 000000000..ef36d9238
--- /dev/null
+++ b/tests/regression_tests/random_ray_cell_temperature/test.py
@@ -0,0 +1,36 @@
+import os
+
+import openmc
+from openmc.examples import random_ray_lattice, random_ray_three_region_cube
+from openmc.utility_funcs import change_directory
+import pytest
+
+from tests.testing_harness import TolerantPyAPITestHarness
+
+
+class MGXSTestHarness(TolerantPyAPITestHarness):
+    def _cleanup(self):
+        super()._cleanup()
+        f = 'mgxs.h5'
+        if os.path.exists(f):
+            os.remove(f)
+
+
+def test_random_ray_basic():
+    openmc.reset_auto_ids()
+    model = random_ray_lattice(second_temp=True)
+    # Set the temperature of the lower-left pin to 395 K -> cell instances [0, 8).
+    # All other pins are set to 295.
+    for id, cell in model.geometry.get_all_cells().items():
+        if cell.fill.name == "UO2 fuel":
+            cell.temperature = [(100.0 * (i < 8) + 295.0) for i in range(24)]
+
+    model.settings.temperature = {
+        'method' : 'nearest',
+        'tolerance' : 10.0,
+        'range' : (200.0, 400.0)
+    }
+
+    # Gold file was generated with manually scaled fuel cross sections.
+    harness = MGXSTestHarness('statepoint.10.h5', model)
+    harness.main()

From 8053111f2d0b120962fbdbcc81b5066e37dac874 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Tue, 10 Feb 2026 02:08:25 +0000
Subject: [PATCH 2514/2654] making use of endf-python package more (#3786)

Co-authored-by: GuySten <guyste@post.bgu.ac.il>
---
 openmc/data/ace.py  |   2 +-
 openmc/data/endf.py | 294 ++++----------------------------------------
 2 files changed, 24 insertions(+), 272 deletions(-)

diff --git a/openmc/data/ace.py b/openmc/data/ace.py
index 6ccb76c92..d3de6a192 100644
--- a/openmc/data/ace.py
+++ b/openmc/data/ace.py
@@ -24,7 +24,7 @@ import numpy as np
 import openmc.checkvalue as cv
 from openmc.mixin import EqualityMixin
 from .data import ATOMIC_SYMBOL, gnds_name, EV_PER_MEV, K_BOLTZMANN
-from .endf import ENDF_FLOAT_RE
+from endf.records import ENDF_FLOAT_RE
 
 
 def get_metadata(zaid, metastable_scheme='nndc'):
diff --git a/openmc/data/endf.py b/openmc/data/endf.py
index eca374469..bccd6b36b 100644
--- a/openmc/data/endf.py
+++ b/openmc/data/endf.py
@@ -10,11 +10,31 @@ import io
 from pathlib import PurePath
 import re
 
-import numpy as np
-
 from .data import gnds_name
 from .function import Tabulated1D
-from endf.records import float_endf
+from endf.records import (
+    float_endf,
+    py_float_endf,
+    int_endf,
+    get_text_record,
+    get_cont_record,
+    get_head_record,
+    get_list_record,
+    get_tab1_record as _get_tab1_record,
+    get_tab2_record,
+    get_intg_record,
+)
+
+
+def get_tab1_record(file_obj):
+    """Return data from a TAB1 record in an ENDF-6 file.
+
+    This wraps the endf package's get_tab1_record to return an
+    openmc.data.Tabulated1D (which has HDF5 support and is a Function1D)
+    instead of endf.Tabulated1D.
+    """
+    params, tab = _get_tab1_record(file_obj)
+    return params, Tabulated1D(tab.x, tab.y, tab.breakpoints, tab.interpolation)
 
 
 _LIBRARY = {0: 'ENDF/B', 1: 'ENDF/A', 2: 'JEFF', 3: 'EFF',
@@ -61,274 +81,6 @@ SUM_RULES = {1: [2, 3],
              106: list(range(750, 800)),
              107: list(range(800, 850))}
 
-ENDF_FLOAT_RE = re.compile(r'([\s\-\+]?\d*\.\d+)([\+\-]) ?(\d+)')
-
-
-def py_float_endf(s):
-    """Convert string of floating point number in ENDF to float.
-
-    The ENDF-6 format uses an 'e-less' floating point number format,
-    e.g. -1.23481+10. Trying to convert using the float built-in won't work
-    because of the lack of an 'e'. This function allows such strings to be
-    converted while still allowing numbers that are not in exponential notation
-    to be converted as well.
-
-    Parameters
-    ----------
-    s : str
-        Floating-point number from an ENDF file
-
-    Returns
-    -------
-    float
-        The number
-
-    """
-    return float(ENDF_FLOAT_RE.sub(r'\1e\2\3', s))
-
-
-def int_endf(s):
-    """Convert string of integer number in ENDF to int.
-
-    The ENDF-6 format technically allows integers to be represented by a field
-    of all blanks. This function acts like int(s) except when s is a string of
-    all whitespace, in which case zero is returned.
-
-    Parameters
-    ----------
-    s : str
-        Integer or spaces
-
-    Returns
-    -------
-    integer
-        The number or 0
-    """
-    return 0 if s.isspace() else int(s)
-
-
-def get_text_record(file_obj):
-    """Return data from a TEXT record in an ENDF-6 file.
-
-    Parameters
-    ----------
-    file_obj : file-like object
-        ENDF-6 file to read from
-
-    Returns
-    -------
-    str
-        Text within the TEXT record
-
-    """
-    return file_obj.readline()[:66]
-
-
-def get_cont_record(file_obj, skip_c=False):
-    """Return data from a CONT record in an ENDF-6 file.
-
-    Parameters
-    ----------
-    file_obj : file-like object
-        ENDF-6 file to read from
-    skip_c : bool
-        Determine whether to skip the first two quantities (C1, C2) of the CONT
-        record.
-
-    Returns
-    -------
-    tuple
-        The six items within the CONT record
-
-    """
-    line = file_obj.readline()
-    if skip_c:
-        C1 = None
-        C2 = None
-    else:
-        C1 = float_endf(line[:11])
-        C2 = float_endf(line[11:22])
-    L1 = int_endf(line[22:33])
-    L2 = int_endf(line[33:44])
-    N1 = int_endf(line[44:55])
-    N2 = int_endf(line[55:66])
-    return (C1, C2, L1, L2, N1, N2)
-
-
-def get_head_record(file_obj):
-    """Return data from a HEAD record in an ENDF-6 file.
-
-    Parameters
-    ----------
-    file_obj : file-like object
-        ENDF-6 file to read from
-
-    Returns
-    -------
-    tuple
-        The six items within the HEAD record
-
-    """
-    line = file_obj.readline()
-    ZA = int(float_endf(line[:11]))
-    AWR = float_endf(line[11:22])
-    L1 = int_endf(line[22:33])
-    L2 = int_endf(line[33:44])
-    N1 = int_endf(line[44:55])
-    N2 = int_endf(line[55:66])
-    return (ZA, AWR, L1, L2, N1, N2)
-
-
-def get_list_record(file_obj):
-    """Return data from a LIST record in an ENDF-6 file.
-
-    Parameters
-    ----------
-    file_obj : file-like object
-        ENDF-6 file to read from
-
-    Returns
-    -------
-    list
-        The six items within the header
-    list
-        The values within the list
-
-    """
-    # determine how many items are in list
-    items = get_cont_record(file_obj)
-    NPL = items[4]
-
-    # read items
-    b = []
-    for i in range((NPL - 1)//6 + 1):
-        line = file_obj.readline()
-        n = min(6, NPL - 6*i)
-        for j in range(n):
-            b.append(float_endf(line[11*j:11*(j + 1)]))
-
-    return (items, b)
-
-
-def get_tab1_record(file_obj):
-    """Return data from a TAB1 record in an ENDF-6 file.
-
-    Parameters
-    ----------
-    file_obj : file-like object
-        ENDF-6 file to read from
-
-    Returns
-    -------
-    list
-        The six items within the header
-    openmc.data.Tabulated1D
-        The tabulated function
-
-    """
-    # Determine how many interpolation regions and total points there are
-    line = file_obj.readline()
-    C1 = float_endf(line[:11])
-    C2 = float_endf(line[11:22])
-    L1 = int_endf(line[22:33])
-    L2 = int_endf(line[33:44])
-    n_regions = int_endf(line[44:55])
-    n_pairs = int_endf(line[55:66])
-    params = [C1, C2, L1, L2]
-
-    # Read the interpolation region data, namely NBT and INT
-    breakpoints = np.zeros(n_regions, dtype=int)
-    interpolation = np.zeros(n_regions, dtype=int)
-    m = 0
-    for i in range((n_regions - 1)//3 + 1):
-        line = file_obj.readline()
-        to_read = min(3, n_regions - m)
-        for j in range(to_read):
-            breakpoints[m] = int_endf(line[0:11])
-            interpolation[m] = int_endf(line[11:22])
-            line = line[22:]
-            m += 1
-
-    # Read tabulated pairs x(n) and y(n)
-    x = np.zeros(n_pairs)
-    y = np.zeros(n_pairs)
-    m = 0
-    for i in range((n_pairs - 1)//3 + 1):
-        line = file_obj.readline()
-        to_read = min(3, n_pairs - m)
-        for j in range(to_read):
-            x[m] = float_endf(line[:11])
-            y[m] = float_endf(line[11:22])
-            line = line[22:]
-            m += 1
-
-    return params, Tabulated1D(x, y, breakpoints, interpolation)
-
-
-def get_tab2_record(file_obj):
-    # Determine how many interpolation regions and total points there are
-    params = get_cont_record(file_obj)
-    n_regions = params[4]
-
-    # Read the interpolation region data, namely NBT and INT
-    breakpoints = np.zeros(n_regions, dtype=int)
-    interpolation = np.zeros(n_regions, dtype=int)
-    m = 0
-    for i in range((n_regions - 1)//3 + 1):
-        line = file_obj.readline()
-        to_read = min(3, n_regions - m)
-        for j in range(to_read):
-            breakpoints[m] = int(line[0:11])
-            interpolation[m] = int(line[11:22])
-            line = line[22:]
-            m += 1
-
-    return params, Tabulated2D(breakpoints, interpolation)
-
-
-def get_intg_record(file_obj):
-    """
-    Return data from an INTG record in an ENDF-6 file. Used to store the
-    covariance matrix in a compact format.
-
-    Parameters
-    ----------
-    file_obj : file-like object
-        ENDF-6 file to read from
-
-    Returns
-    -------
-    numpy.ndarray
-        The correlation matrix described in the INTG record
-    """
-    # determine how many items are in list and NDIGIT
-    items = get_cont_record(file_obj)
-    ndigit = items[2]
-    npar = items[3]    # Number of parameters
-    nlines = items[4]  # Lines to read
-    NROW_RULES = {2: 18, 3: 12, 4: 11, 5: 9, 6: 8}
-    nrow = NROW_RULES[ndigit]
-
-    # read lines and build correlation matrix
-    corr = np.identity(npar)
-    for i in range(nlines):
-        line = file_obj.readline()
-        ii = int_endf(line[:5]) - 1  # -1 to account for 0 indexing
-        jj = int_endf(line[5:10]) - 1
-        factor = 10**ndigit
-        for j in range(nrow):
-            if jj+j >= ii:
-                break
-            element = int_endf(line[11+(ndigit+1)*j:11+(ndigit+1)*(j+1)])
-            if element > 0:
-                corr[ii, jj] = (element+0.5)/factor
-            elif element < 0:
-                corr[ii, jj] = (element-0.5)/factor
-
-    # Symmetrize the correlation matrix
-    corr = corr + corr.T - np.diag(corr.diagonal())
-    return corr
-
 
 def get_evaluations(filename):
     """Return a list of all evaluations within an ENDF file.

From 3f20a5e22829c856a5b5bc3cda25a485650d1900 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Tue, 10 Feb 2026 12:41:04 +0000
Subject: [PATCH 2515/2654] Use several data variables from endf package
 (#3787)

---
 openmc/data/data.py | 73 ++-------------------------------------------
 1 file changed, 3 insertions(+), 70 deletions(-)

diff --git a/openmc/data/data.py b/openmc/data/data.py
index 5ecadd37b..03d67d7a9 100644
--- a/openmc/data/data.py
+++ b/openmc/data/data.py
@@ -6,6 +6,9 @@ from pathlib import Path
 from math import sqrt, log
 from warnings import warn
 
+from endf.data import (ATOMIC_NUMBER, ATOMIC_SYMBOL, ELEMENT_SYMBOL,
+                       EV_PER_MEV, K_BOLTZMANN)
+
 # Isotopic abundances from Meija J, Coplen T B, et al, "Isotopic compositions
 # of the elements 2013 (IUPAC Technical Report)", Pure. Appl. Chem. 88 (3),
 # pp. 293-306 (2013). The "representative isotopic abundance" values from
@@ -112,72 +115,6 @@ NATURAL_ABUNDANCE = {
     'U238': 0.992742
 }
 
-# Dictionary to give element symbols from IUPAC names
-# (and some common mispellings)
-ELEMENT_SYMBOL = {'neutron': 'n', 'hydrogen': 'H', 'helium': 'He',
-                 'lithium': 'Li', 'beryllium': 'Be', 'boron': 'B',
-                 'carbon': 'C', 'nitrogen': 'N', 'oxygen': 'O', 'fluorine': 'F',
-                 'neon': 'Ne', 'sodium': 'Na', 'magnesium': 'Mg',
-                 'aluminium': 'Al', 'aluminum': 'Al', 'silicon': 'Si',
-                 'phosphorus': 'P', 'sulfur': 'S', 'sulphur': 'S',
-                 'chlorine': 'Cl', 'argon': 'Ar', 'potassium': 'K',
-                 'calcium': 'Ca', 'scandium': 'Sc', 'titanium': 'Ti',
-                 'vanadium': 'V', 'chromium': 'Cr', 'manganese': 'Mn',
-                 'iron': 'Fe', 'cobalt': 'Co', 'nickel': 'Ni', 'copper': 'Cu',
-                 'zinc': 'Zn', 'gallium': 'Ga', 'germanium': 'Ge',
-                 'arsenic': 'As', 'selenium': 'Se', 'bromine': 'Br',
-                 'krypton': 'Kr', 'rubidium': 'Rb', 'strontium': 'Sr',
-                 'yttrium': 'Y', 'zirconium': 'Zr', 'niobium': 'Nb',
-                 'molybdenum': 'Mo', 'technetium': 'Tc', 'ruthenium': 'Ru',
-                 'rhodium': 'Rh', 'palladium': 'Pd', 'silver': 'Ag',
-                 'cadmium': 'Cd', 'indium': 'In', 'tin': 'Sn', 'antimony': 'Sb',
-                 'tellurium': 'Te', 'iodine': 'I', 'xenon': 'Xe',
-                 'caesium': 'Cs', 'cesium': 'Cs', 'barium': 'Ba',
-                 'lanthanum': 'La', 'cerium': 'Ce', 'praseodymium': 'Pr',
-                 'neodymium': 'Nd', 'promethium': 'Pm', 'samarium': 'Sm',
-                 'europium': 'Eu', 'gadolinium': 'Gd', 'terbium': 'Tb',
-                 'dysprosium': 'Dy', 'holmium': 'Ho', 'erbium': 'Er',
-                 'thulium': 'Tm', 'ytterbium': 'Yb', 'lutetium': 'Lu',
-                 'hafnium': 'Hf', 'tantalum': 'Ta', 'tungsten': 'W',
-                 'wolfram': 'W', 'rhenium': 'Re', 'osmium': 'Os',
-                 'iridium': 'Ir', 'platinum': 'Pt', 'gold': 'Au',
-                 'mercury': 'Hg', 'thallium': 'Tl', 'lead': 'Pb',
-                 'bismuth': 'Bi', 'polonium': 'Po', 'astatine': 'At',
-                 'radon': 'Rn', 'francium': 'Fr', 'radium': 'Ra',
-                 'actinium': 'Ac', 'thorium': 'Th', 'protactinium': 'Pa',
-                 'uranium': 'U', 'neptunium': 'Np', 'plutonium': 'Pu',
-                 'americium': 'Am', 'curium': 'Cm', 'berkelium': 'Bk',
-                 'californium': 'Cf', 'einsteinium': 'Es', 'fermium': 'Fm',
-                 'mendelevium': 'Md', 'nobelium': 'No', 'lawrencium': 'Lr',
-                 'rutherfordium': 'Rf', 'dubnium': 'Db', 'seaborgium': 'Sg',
-                 'bohrium': 'Bh', 'hassium': 'Hs', 'meitnerium': 'Mt',
-                 'darmstadtium': 'Ds', 'roentgenium': 'Rg', 'copernicium': 'Cn',
-                 'nihonium': 'Nh', 'flerovium': 'Fl', 'moscovium': 'Mc',
-                 'livermorium': 'Lv', 'tennessine': 'Ts', 'oganesson': 'Og'}
-
-ATOMIC_SYMBOL = {0: 'n', 1: 'H', 2: 'He', 3: 'Li', 4: 'Be', 5: 'B', 6: 'C',
-                 7: 'N', 8: 'O', 9: 'F', 10: 'Ne', 11: 'Na', 12: 'Mg', 13: 'Al',
-                 14: 'Si', 15: 'P', 16: 'S', 17: 'Cl', 18: 'Ar', 19: 'K',
-                 20: 'Ca', 21: 'Sc', 22: 'Ti', 23: 'V', 24: 'Cr', 25: 'Mn',
-                 26: 'Fe', 27: 'Co', 28: 'Ni', 29: 'Cu', 30: 'Zn', 31: 'Ga',
-                 32: 'Ge', 33: 'As', 34: 'Se', 35: 'Br', 36: 'Kr', 37: 'Rb',
-                 38: 'Sr', 39: 'Y', 40: 'Zr', 41: 'Nb', 42: 'Mo', 43: 'Tc',
-                 44: 'Ru', 45: 'Rh', 46: 'Pd', 47: 'Ag', 48: 'Cd', 49: 'In',
-                 50: 'Sn', 51: 'Sb', 52: 'Te', 53: 'I', 54: 'Xe', 55: 'Cs',
-                 56: 'Ba', 57: 'La', 58: 'Ce', 59: 'Pr', 60: 'Nd', 61: 'Pm',
-                 62: 'Sm', 63: 'Eu', 64: 'Gd', 65: 'Tb', 66: 'Dy', 67: 'Ho',
-                 68: 'Er', 69: 'Tm', 70: 'Yb', 71: 'Lu', 72: 'Hf', 73: 'Ta',
-                 74: 'W', 75: 'Re', 76: 'Os', 77: 'Ir', 78: 'Pt', 79: 'Au',
-                 80: 'Hg', 81: 'Tl', 82: 'Pb', 83: 'Bi', 84: 'Po', 85: 'At',
-                 86: 'Rn', 87: 'Fr', 88: 'Ra', 89: 'Ac', 90: 'Th', 91: 'Pa',
-                 92: 'U', 93: 'Np', 94: 'Pu', 95: 'Am', 96: 'Cm', 97: 'Bk',
-                 98: 'Cf', 99: 'Es', 100: 'Fm', 101: 'Md', 102: 'No',
-                 103: 'Lr', 104: 'Rf', 105: 'Db', 106: 'Sg', 107: 'Bh',
-                 108: 'Hs', 109: 'Mt', 110: 'Ds', 111: 'Rg', 112: 'Cn',
-                 113: 'Nh', 114: 'Fl', 115: 'Mc', 116: 'Lv', 117: 'Ts',
-                 118: 'Og'}
-ATOMIC_NUMBER = {value: key for key, value in ATOMIC_SYMBOL.items()}
-
 DADZ = {
     '(n,2nd)': (-3, -1),
     '(n,2n)': (-1, 0),
@@ -268,11 +205,7 @@ DADZ = {
 # Values here are from the Committee on Data for Science and Technology
 # (CODATA) 2018 recommendation (https://physics.nist.gov/cuu/Constants/).
 
-# The value of the Boltzman constant in units of eV / K
-K_BOLTZMANN = 8.617333262e-5
-
 # Unit conversions
-EV_PER_MEV = 1.0e6
 JOULE_PER_EV = 1.602176634e-19
 
 # Avogadro's constant

From 44da7022b8a4371ba68da364596b5591d0e20d29 Mon Sep 17 00:00:00 2001
From: Matthew Feickert <matthew.feickert@cern.ch>
Date: Wed, 11 Feb 2026 08:21:13 -0700
Subject: [PATCH 2516/2654] FIX: Remove setuptools from run dependencies
 (#3794)

---
 AGENTS.md      | 2 +-
 pyproject.toml | 1 -
 2 files changed, 1 insertion(+), 2 deletions(-)

diff --git a/AGENTS.md b/AGENTS.md
index 44962d1ad..575a693c7 100644
--- a/AGENTS.md
+++ b/AGENTS.md
@@ -236,7 +236,7 @@ When modifying C++ public APIs, update corresponding ctypes signatures in `openm
 - **Docstrings**: numpydoc format for all public functions/methods
 - **Type hints**: Use sparingly, primarily for complex signatures
 - **Path handling**: Use `pathlib.Path` for filesystem operations, accept `str | os.PathLike` in function arguments
-- **Dependencies**: Core dependencies only (numpy, scipy, h5py, pandas, matplotlib, lxml, ipython, uncertainties, setuptools, endf). Other packages must be optional
+- **Dependencies**: Core dependencies only (numpy, scipy, h5py, pandas, matplotlib, lxml, ipython, uncertainties, endf). Other packages must be optional
 - **Python version**: Minimum 3.11 (as of Nov 2025)
 
 ### ID Management Pattern (Python)
diff --git a/pyproject.toml b/pyproject.toml
index 2d67e8340..21342155a 100644
--- a/pyproject.toml
+++ b/pyproject.toml
@@ -34,7 +34,6 @@ dependencies = [
     "pandas",
     "lxml",
     "uncertainties",
-    "setuptools",
     "endf",
 ]
 

From 360ec24b41634795917c8cdcc9fe75687fb9264f Mon Sep 17 00:00:00 2001
From: azim-givron <azimgivron@gmail.com>
Date: Wed, 11 Feb 2026 17:00:18 +0100
Subject: [PATCH 2517/2654] Implement vector fitting to replace external
 `vectfit` package (#3493)

Co-authored-by: azim_givron <a.givron@naarea.fr>
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
Co-authored-by: GuySten <guyste@post.bgu.ac.il>
Co-authored-by: GuySten <62616591+GuySten@users.noreply.github.com>
---
 .github/workflows/ci.yml                |  14 +-
 openmc/data/__init__.py                 |   1 +
 openmc/data/multipole.py                |  57 +-
 openmc/data/vectfit.py                  | 811 ++++++++++++++++++++++++
 tests/unit_tests/test_data_multipole.py |  36 +-
 tests/unit_tests/test_vectfit.py        | 224 +++++++
 tools/ci/gha-install-vectfit.sh         |  46 --
 tools/ci/gha-install.sh                 |   5 -
 8 files changed, 1102 insertions(+), 92 deletions(-)
 create mode 100644 openmc/data/vectfit.py
 create mode 100644 tests/unit_tests/test_vectfit.py
 delete mode 100755 tools/ci/gha-install-vectfit.sh

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index 580d409c5..b5b7f3a87 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -49,7 +49,6 @@ jobs:
         dagmc: [n]
         libmesh: [n]
         event: [n]
-        vectfit: [n]
 
         include:
           - python-version: "3.12"
@@ -74,14 +73,9 @@ jobs:
             python-version: "3.11"
             omp: y
             mpi: n
-          - vectfit: y
-            python-version: "3.11"
-            omp: n
-            mpi: y
     name: "Python ${{ matrix.python-version }} (omp=${{ matrix.omp }},
       mpi=${{ matrix.mpi }}, dagmc=${{ matrix.dagmc }},
-      libmesh=${{ matrix.libmesh }}, event=${{ matrix.event }}
-      vectfit=${{ matrix.vectfit }})"
+      libmesh=${{ matrix.libmesh }}, event=${{ matrix.event }}"
 
     env:
       MPI: ${{ matrix.mpi }}
@@ -89,7 +83,6 @@ jobs:
       OMP: ${{ matrix.omp }}
       DAGMC: ${{ matrix.dagmc }}
       EVENT: ${{ matrix.event }}
-      VECTFIT: ${{ matrix.vectfit }}
       LIBMESH: ${{ matrix.libmesh }}
       NPY_DISABLE_CPU_FEATURES: "AVX512F AVX512_SKX"
       OPENBLAS_NUM_THREADS: 1
@@ -150,11 +143,6 @@ jobs:
           sudo update-alternatives --set mpirun /usr/bin/mpirun.mpich
           sudo update-alternatives --set mpi-x86_64-linux-gnu /usr/include/x86_64-linux-gnu/mpich
 
-      - name: Optional apt dependencies for vectfit
-        shell: bash
-        if: ${{ matrix.vectfit == 'y' }}
-        run: sudo apt install -y libblas-dev liblapack-dev
-
       - name: install
         shell: bash
         run: |
diff --git a/openmc/data/__init__.py b/openmc/data/__init__.py
index c2d35565a..a45d026a0 100644
--- a/openmc/data/__init__.py
+++ b/openmc/data/__init__.py
@@ -33,5 +33,6 @@ from .resonance_covariance import *
 from .multipole import *
 from .grid import *
 from .function import *
+from .vectfit import *
 
 from .effective_dose.dose import dose_coefficients
diff --git a/openmc/data/multipole.py b/openmc/data/multipole.py
index dd14e0d19..d843b5971 100644
--- a/openmc/data/multipole.py
+++ b/openmc/data/multipole.py
@@ -15,7 +15,7 @@ from . import WMP_VERSION, WMP_VERSION_MAJOR
 from .data import K_BOLTZMANN
 from .neutron import IncidentNeutron
 from .resonance import ResonanceRange
-
+from .vectfit import vectfit, evaluate
 
 # Constants that determine which value to access
 _MP_EA = 0       # Pole
@@ -174,10 +174,6 @@ def _vectfit_xs(energy, ce_xs, mts, rtol=1e-3, atol=1e-5, orders=None,
         (poles, residues)
 
     """
-
-    # import vectfit package: https://github.com/liangjg/vectfit
-    import vectfit as vf
-
     ne = energy.size
     nmt = len(mts)
     if ce_xs.shape != (nmt, ne):
@@ -194,8 +190,8 @@ def _vectfit_xs(energy, ce_xs, mts, rtol=1e-3, atol=1e-5, orders=None,
         test_xs_ref[i] = np.interp(test_energy, energy, ce_xs[i])
 
     if log:
-        print(f"  energy: {energy[0]:.3e} to {energy[-1]:.3e} eV ({ne} points)")
-        print(f"  error tolerance: rtol={rtol}, atol={atol}")
+        print(f"\tenergy: {energy[0]:.3e} to {energy[-1]:.3e} eV ({ne} points)")
+        print(f"\terror tolerance: rtol={rtol}, atol={atol}")
 
     # transform xs (sigma) and energy (E) to f (sigma*E) and s (sqrt(E)) to be
     # compatible with the multipole representation
@@ -251,7 +247,7 @@ def _vectfit_xs(energy, ce_xs, mts, rtol=1e-3, atol=1e-5, orders=None,
                 print(f"VF iteration {i_vf + 1}/{n_vf_iter}")
 
             # call vf
-            poles, residues, cf, f_fit, rms = vf.vectfit(f, s, poles, weight)
+            poles, residues, *_ = vectfit(f, s, poles, weight)
 
             # convert real pole to conjugate pairs
             n_real_poles = 0
@@ -268,11 +264,11 @@ def _vectfit_xs(energy, ce_xs, mts, rtol=1e-3, atol=1e-5, orders=None,
             if n_real_poles > 0:
                 if log >= DETAILED_LOGGING:
                     print(f"  # real poles: {n_real_poles}")
-                new_poles, residues, cf, f_fit, rms = \
-                      vf.vectfit(f, s, new_poles, weight, skip_pole=True)
+                new_poles, residues, *_ = \
+                      vectfit(f, s, new_poles, weight, skip_pole_update=True)
 
             # assess the result on test grid
-            test_xs = vf.evaluate(test_s, new_poles, residues) / test_energy
+            test_xs = evaluate(test_s, new_poles, residues) / test_energy
             abserr = np.abs(test_xs - test_xs_ref)
             with np.errstate(invalid='ignore', divide='ignore'):
                 relerr = abserr / test_xs_ref
@@ -388,9 +384,9 @@ def _vectfit_xs(energy, ce_xs, mts, rtol=1e-3, atol=1e-5, orders=None,
 
     return (mp_poles, mp_residues)
 
-
 def vectfit_nuclide(endf_file, njoy_error=5e-4, vf_pieces=None,
-                    log=False, path_out=None, mp_filename=None, **kwargs):
+                    log=False, path_out=None, mp_filename=None,
+                    **kwargs):
     r"""Generate multipole data for a nuclide from ENDF.
 
     Parameters
@@ -571,10 +567,6 @@ def _windowing(mp_data, n_cf, rtol=1e-3, atol=1e-5, n_win=None, spacing=None,
         format.
 
     """
-
-    # import vectfit package: https://github.com/liangjg/vectfit
-    import vectfit as vf
-
     # unpack multipole data
     name = mp_data["name"]
     awr = mp_data["AWR"]
@@ -645,7 +637,7 @@ def _windowing(mp_data, n_cf, rtol=1e-3, atol=1e-5, n_win=None, spacing=None,
 
         # reference xs from multipole form, note the residue terms in the
         # multipole and vector fitting representations differ by a 1j
-        xs_ref = vf.evaluate(energy_sqrt, poles, residues*1j) / energy
+        xs_ref = evaluate(energy_sqrt, poles, residues*1j) / energy
 
         # curve fit matrix
         matrix = np.vstack([energy**(0.5*i - 1) for i in range(n_cf + 1)]).T
@@ -659,7 +651,7 @@ def _windowing(mp_data, n_cf, rtol=1e-3, atol=1e-5, n_win=None, spacing=None,
 
             # calculate the cross sections contributed by the windowed poles
             if rp > lp:
-                xs_wp = vf.evaluate(energy_sqrt, poles[lp:rp],
+                xs_wp = evaluate(energy_sqrt, poles[lp:rp],
                                     residues[:, lp:rp]*1j) / energy
             else:
                 xs_wp = np.zeros_like(xs_ref)
@@ -1054,7 +1046,15 @@ class WindowedMultipole(EqualityMixin):
         return cls.from_multipole(mp_data, **wmp_options)
 
     @classmethod
-    def from_multipole(cls, mp_data, search=None, log=False, **kwargs):
+    def from_multipole(
+        cls,
+        mp_data,
+        search=None,
+        log=False,
+        search_n_win=20,
+        search_cf_orders=None,
+        **kwargs,
+    ):
         """Generate windowed multipole neutron data from multipole data.
 
         Parameters
@@ -1066,8 +1066,14 @@ class WindowedMultipole(EqualityMixin):
             Defaults to True if no windowing parameters are specified.
         log : bool or int, optional
             Whether to print running logs (use int for verbosity control)
+        search_n_win : int, optional
+            Number of window sizes to consider in the search grid when
+            ``search`` is True.
+        search_cf_orders : iterable of int, optional
+            Curve-fit orders to consider in the search grid when ``search`` is
+            True. Defaults to integers from 10 down to 2.
         **kwargs
-            Keyword arguments passed to :func:`openmc.data.multipole._windowing`
+            Keyword arguments passed to :func:`openmc.data.multipole._windowing`.
 
         Returns
         -------
@@ -1098,12 +1104,17 @@ class WindowedMultipole(EqualityMixin):
         # search optimal WMP from a range of window sizes and CF orders
         if log:
             print("Start searching ...")
+        if search_cf_orders is None:
+            search_cf_orders = range(10, 1, -1)
+
         n_poles = sum([p.size for p in mp_data["poles"]])
         n_win_min = max(5, n_poles // 20)
         n_win_max = 2000 if n_poles < 2000 else 8000
         best_wmp = best_metric = None
-        for n_w in np.unique(np.linspace(n_win_min, n_win_max, 20, dtype=int)):
-            for n_cf in range(10, 1, -1):
+        for n_w in np.unique(
+            np.linspace(n_win_min, n_win_max, search_n_win, dtype=int)
+        ):
+            for n_cf in search_cf_orders:
                 if log:
                     print(f"Testing N_win={n_w} N_cf={n_cf}")
 
diff --git a/openmc/data/vectfit.py b/openmc/data/vectfit.py
new file mode 100644
index 000000000..c5a783a3c
--- /dev/null
+++ b/openmc/data/vectfit.py
@@ -0,0 +1,811 @@
+"""
+Fast Relaxed Vector Fitting function
+
+Approximate f(s) with a rational function:
+        f(s)=R*(s*I-A)^(-1) + Polynomials*s
+where f(s) is a vector of elements.
+
+When f(s) is a vector, all elements become fitted with a common pole set. The
+identification is done using the pole relocating method known as Vector Fitting
+[1] with relaxed non-triviality constraint for faster convergence and smaller
+fitting errors [2], and utilization of matrix structure for fast solution of the
+pole identifion step [3].
+
+[1] B. Gustavsen and A. Semlyen, "Rational approximation of frequency
+    domain responses by Vector Fitting", IEEE Trans. Power Delivery, vol. 14,
+    no. 3, pp. 1052-1061, July 1999.
+[2] B. Gustavsen, "Improving the pole relocating properties of vector
+    fitting", IEEE Trans. Power Delivery, vol. 21, no. 3, pp. 1587-1592, July
+    2006.
+[3] D. Deschrijver, M. Mrozowski, T. Dhaene, and D. De Zutter,
+    "Macromodeling of Multiport Systems Using a Fast Implementation of the
+    Vector Fitting Method", IEEE Microwave and Wireless Components Letters, vol.
+    18, no. 6, pp. 383-385, June 2008.
+
+All credit goes to:
+ - Bjorn Gustavsen for his MATLAB implementation.
+   (http://www.sintef.no/Projectweb/VECTFIT/)
+ - Jingang Liang for his C++ implementation.
+   (https://github.com/mit-crpg/vectfit.git)
+
+"""
+
+from typing import Tuple
+
+import numpy as np
+from scipy.linalg import eigvals, lstsq, norm, qr
+
+
+def wlstsq(a, b):
+    """Apply least-squares solve with column normalization.
+
+    Notes
+    -----
+    This routine rescales columns of `a` to improve conditioning. Columns with
+    zero norm are left unscaled to avoid divide-by-zero warnings.
+    """
+    col_norm = np.linalg.norm(a, axis=0)
+    scale = np.ones_like(col_norm, dtype=float)
+    nonzero = col_norm > 0.0
+    scale[nonzero] = 1.0 / col_norm[nonzero]
+    scale = np.nan_to_num(scale, nan=1.0, posinf=1.0, neginf=1.0)
+
+    sol = lstsq(a * scale, b)
+    return (sol[0] * scale, sol[1:])
+
+
+def evaluate(
+    eval_points: np.ndarray,
+    pole_values: np.ndarray,
+    residue_matrix: np.ndarray,
+    poly_coefficients: np.ndarray | None = None,
+) -> np.ndarray:
+    """Evaluate the rational function approximation:
+        f(s) ≈ sum(residue / (s - pole)) + sum(poly_coefficients * s^j)
+
+    Parameters
+    ----------
+    eval_points : np.ndarray
+        1D array of real scalar frequency values (s).
+    pole_values : np.ndarray
+        1D array of complex poles.
+    residue_matrix : np.ndarray
+        2D or 1D array of complex residues (shape: [num_vectors, num_poles] or [num_poles]).
+    poly_coefficients : np.ndarray, optional
+        2D or 1D array of real polynomial coefficients (shape: [num_vectors, num_polys]).
+
+    Returns
+    -------
+    np.ndarray
+        2D array of evaluated real function values (shape: [num_vectors, num_samples]).
+
+    Raises
+    ------
+    ValueError
+        If input arrays have incompatible shapes.
+    """
+    eval_points = np.asarray(eval_points)
+    pole_values = np.asarray(pole_values)
+    residue_matrix = np.asarray(residue_matrix)
+
+    if eval_points.ndim != 1:
+        raise ValueError("eval_points must be a 1D array")
+    if pole_values.ndim != 1:
+        raise ValueError("pole_values must be a 1D array")
+
+    if residue_matrix.ndim == 1:
+        residue_matrix = residue_matrix.reshape((1, -1))
+    num_vectors, _ = residue_matrix.shape
+    num_samples = len(eval_points)
+
+    if poly_coefficients is not None and isinstance(poly_coefficients, list):
+        poly_coefficients = np.array(poly_coefficients)
+    if poly_coefficients is None or poly_coefficients.size == 0:
+        poly_coefficients = np.zeros((num_vectors, 0))
+    else:
+        poly_coefficients = np.asarray(poly_coefficients)
+        if poly_coefficients.ndim == 1:
+            poly_coefficients = poly_coefficients.reshape((1, -1))
+        elif poly_coefficients.shape[0] != num_vectors:
+            raise ValueError("Mismatch in residues and poly_coefficients shapes")
+
+    num_coeffs = poly_coefficients.shape[1]
+    result = np.zeros((num_vectors, num_samples))
+
+    # term: sum over poles of (residues / (eval_points - poles))
+    denominator = (
+        eval_points[np.newaxis, :] - pole_values[:, np.newaxis]
+    )  # shape: (num_poles, num_eval)
+    pole_terms = residue_matrix @ (1.0 / denominator)  # shape: (num_vectors, num_eval)
+    result = np.real(pole_terms)
+
+    # polynomial part: sum over poly_idx of (coeff * eval_points**poly_idx)
+    if num_coeffs > 0:
+        powers = (
+            eval_points[np.newaxis, :] ** np.arange(num_coeffs)[:, np.newaxis]
+        )  # shape: (num_coeffs, num_eval)
+        result += poly_coefficients @ powers  # shape: (num_vectors, num_eval)
+
+    return result
+
+
+def vectfit(
+    response_matrix: np.ndarray,
+    eval_points: np.ndarray,
+    initial_poles: np.ndarray,
+    weights: np.ndarray,
+    n_polys: int = 0,
+    skip_pole_update: bool = False,
+    skip_residue_update: bool = False,
+) -> Tuple[np.ndarray, np.ndarray, np.ndarray, np.ndarray, float]:
+    """Perform vector fitting using the Fast Relaxed Vector Fitting algorithm.
+
+    Parameters
+    ----------
+    response_matrix : np.ndarray
+        Complex matrix of frequency responses (shape: [num_vectors, num_samples]).
+    eval_points : np.ndarray
+        Real frequency samples (s), shape (num_samples,).
+    initial_poles : np.ndarray
+        Initial guess for poles (complex), shape (num_poles,).
+    weights : np.ndarray
+        Weighting matrix for fitting (same shape as response_matrix).
+    n_polys : int, optional
+        Number of real polynomial terms to include.
+    skip_pole_update : bool, optional
+        Whether to skip pole relocation step.
+    skip_residue_update : bool, optional
+        Whether to skip residue fitting step.
+
+    Returns
+    -------
+    Tuple[np.ndarray, np.ndarray, np.ndarray, np.ndarray, float]
+        - Updated poles (np.ndarray)
+        - Residues (np.ndarray)
+        - Polynomial coefficients (np.ndarray)
+        - Fitted response matrix (np.ndarray)
+        - Root-mean-square error (float)
+    """
+    tol_low = 1e-18
+    tol_high = 1e18
+    response_matrix = np.asarray(response_matrix)
+    eval_points = np.asarray(eval_points)
+    initial_poles = np.asarray(initial_poles)
+    weights = np.asarray(weights)
+
+    num_vectors, num_samples = response_matrix.shape
+    num_poles = len(initial_poles)
+
+    if n_polys < 0 or n_polys > 11:
+        raise ValueError("n_polys must be in [0, 11]")
+
+    residue_matrix = np.zeros((num_vectors, num_poles), dtype=np.complex128)
+    poly_coefficients = np.zeros((num_vectors, n_polys))
+    fit_result = np.zeros_like(response_matrix)
+    rms_error = 0.0
+
+    if num_poles == 0 and n_polys == 0:
+        rms_error = norm(response_matrix) / np.sqrt(num_vectors * num_samples)
+        return initial_poles, residue_matrix, poly_coefficients, fit_result, rms_error
+
+    if not skip_pole_update and num_poles > 0:
+        updated_poles = identify_poles(
+            num_poles,
+            num_samples,
+            n_polys,
+            initial_poles,
+            eval_points,
+            tol_high,
+            weights,
+            response_matrix,
+            num_vectors,
+            tol_low,
+        )
+    else:
+        updated_poles = initial_poles
+
+    if not skip_residue_update:
+        fit_result, rms_error = identify_residues(
+            num_poles,
+            updated_poles,
+            num_samples,
+            n_polys,
+            eval_points,
+            num_vectors,
+            weights,
+            response_matrix,
+            poly_coefficients,
+            residue_matrix,
+        )
+
+    return updated_poles, residue_matrix, poly_coefficients, fit_result, rms_error
+
+
+def compute_dk_matrix(
+    dk_matrix: np.ndarray,
+    eval_points: np.ndarray,
+    poles: np.ndarray,
+    conj_index: np.ndarray,
+    num_poles: int,
+    num_polys: int,
+    tol_high: float = None,
+):
+    """Compute the dk_matrix used in windowed multipole evaluations.
+
+    Parameters
+    ----------
+    dk_matrix : ndarray of shape (len(eval_points), M)
+        The full matrix used in least-squares fitting or evaluation.
+    eval_points : ndarray of shape (N,)
+        Energy points at which to evaluate.
+    poles : ndarray of shape (num_poles,)
+        Complex poles used in the resonance model.
+    conj_index : ndarray of shape (num_poles,)
+        Index array indicating pole conjugacy behavior: 0 (normal), 1 (add conjugate), 2 (imaginary part).
+    num_poles : int
+        Number of complex poles.
+    num_polys : int
+        Number of polynomial terms (including constant term).
+    tol_high : float
+        Replacement value for infinities.
+    """
+    # Broadcast shapes
+    eval_points_col = eval_points[:, np.newaxis]
+    poles_row = poles[np.newaxis, :]
+
+    # Compute base terms
+    term1 = 1.0 / (eval_points_col - poles_row)
+    term2 = 1.0 / (eval_points_col - np.conj(poles_row))
+    term3 = 1j / (eval_points_col - np.conj(poles_row)) - 1j / (
+        eval_points_col - poles_row
+    )
+
+    # Masks for different conjugacy types
+    mask0 = conj_index == 0
+    mask1 = conj_index == 1
+    mask2 = conj_index == 2
+
+    # Fill dk_matrix with pole terms
+    dk_matrix[:, :num_poles][:, mask0] = term1[:, mask0]
+    dk_matrix[:, :num_poles][:, mask1] = term1[:, mask1] + term2[:, mask1]
+    dk_matrix[:, :num_poles][:, mask2] = term3[:, mask2]
+
+    # Replace infinities with high tolerance value
+    if tol_high is not None:
+        inf_mask = np.isinf(dk_matrix)
+        dk_matrix[inf_mask] = tol_high + 0j
+
+    # Add polynomial basis (Chebyshev-like, just powers here)
+    powers = np.arange(num_polys)
+    dk_matrix[:, num_poles : num_poles + num_polys] = eval_points_col**powers + 0j
+    return dk_matrix
+
+
+def row_block_matrix(
+    dk_matrix: np.ndarray,
+    weights: np.ndarray,
+    response_matrix: np.ndarray,
+    vec_idx: int,
+    num_poles: int,
+    num_polys: int,
+) -> np.ndarray:
+    """
+    Construct a single matrix row block for the given vector index.
+
+    Parameters
+    ----------
+    dk_matrix : ndarray of shape (num_samples, num_poles + num_polys)
+        Basis function evaluations at each sample point.
+    weights : ndarray of shape (num_vectors, num_samples)
+        Sample weights for each vector.
+    response_matrix : ndarray of shape (num_vectors, num_samples)
+        Response values at each sample point.
+    vec_idx : int
+        Index of the vector to construct the A1 block for.
+    num_poles : int
+        Number of poles used in the model.
+    num_polys : int
+        Number of polynomial basis terms.
+
+    Returns
+    -------
+    A : ndarray of shape (num_samples, num_poles + num_polys + num_poles + 1)
+        Weighted and assembled matrix block for the current vector.
+    """
+    num_samples = dk_matrix.shape[0]
+    A = np.zeros(
+        (num_samples, num_poles + num_polys + num_poles + 1), dtype=np.complex128
+    )
+
+    # Weighted basis terms
+    A[:, : num_poles + num_polys] = (
+        weights[vec_idx][:, np.newaxis] * dk_matrix[:, : num_poles + num_polys]
+    )
+
+    # Weighted response terms (includes poles + 1)
+    A[:, num_poles + num_polys : num_poles + num_polys + num_poles + 1] = (
+        -weights[vec_idx][:, np.newaxis]
+        * dk_matrix[:, : num_poles + 1]
+        * response_matrix[vec_idx][:, np.newaxis]
+    )
+
+    return A
+
+
+def process_constrained_block(
+    vec_idx: int,
+    dk_matrix: np.ndarray,
+    weights: np.ndarray,
+    response_matrix: np.ndarray,
+    num_samples: int,
+    num_poles: int,
+    num_polys: int,
+    scale_factor: float,
+    num_vectors: int,
+) -> Tuple[int, np.ndarray, np.ndarray]:
+    """
+    Construct a constrained least-squares system block for the given vector index.
+
+    This function computes the A matrix using weighted evaluations of the basis functions
+    and response terms. It appends a constraint row to enforce physical properties
+    (e.g., normalization) **only for the final vector index**. The full matrix A is
+    decomposed via QR, and the resulting triangular block is returned.
+
+    This routine is intended for use in the main vector fitting loop when the denominator
+    is well-conditioned but requires an additional constraint row for physical consistency.
+
+    Parameters
+    ----------
+    vec_idx : int
+        Index of the vector to process.
+    dk_matrix : ndarray of shape (num_samples, num_poles + num_polys)
+        Evaluated basis functions at sample points.
+    weights : ndarray of shape (num_vectors, num_samples)
+        Weight matrix per vector.
+    response_matrix : ndarray of shape (num_vectors, num_samples)
+        Response function values for each vector.
+    num_samples : int
+        Number of sample points.
+    num_poles : int
+        Number of poles in the model.
+    num_polys : int
+        Number of polynomial terms in the model.
+    scale_factor : float
+        Scaling factor applied to the final constraint row.
+    num_vectors : int
+        Total number of vectors to process.
+
+    Returns
+    -------
+    vec_idx : int
+        Index of the processed vector.
+    lhs_block : ndarray of shape (num_poles + 1, num_poles + 1)
+        Triangular matrix block from QR decomposition.
+    rhs_block : ndarray of shape (num_poles + 1,) or None
+        Right-hand side vector block (only returned for final vec_idx), else None.
+    """
+    A1 = row_block_matrix(
+        dk_matrix, weights, response_matrix, vec_idx, num_poles, num_polys
+    )
+    A = np.zeros((2 * num_samples + 1, num_poles + num_polys + num_poles + 1))
+    A[:num_samples] = A1.real
+    A[num_samples : 2 * num_samples] = A1.imag
+    # Handle final row only if vec_idx is last
+    if vec_idx == num_vectors - 1:
+        A[
+            2 * num_samples,
+            num_poles + num_polys : num_poles + num_polys + num_poles + 1,
+        ] = scale_factor * np.real(dk_matrix[:, : num_poles + 1].sum(axis=0))
+
+    Q, R = qr(A, mode="economic")
+
+    lhs_block = R[
+        num_poles + num_polys : num_poles + num_polys + num_poles + 1,
+        num_poles + num_polys : num_poles + num_polys + num_poles + 1,
+    ]
+
+    if vec_idx == num_vectors - 1:
+        rhs_block = (
+            num_samples
+            * scale_factor
+            * Q[-1, num_poles + num_polys : num_poles + num_polys + num_poles + 1]
+        )
+    else:
+        rhs_block = np.zeros_like(
+            Q[-1, num_poles + num_polys : num_poles + num_polys + num_poles + 1]
+        )
+
+    return vec_idx, lhs_block, rhs_block
+
+
+def process_unconstrained_block(
+    vec_idx: int,
+    dk_matrix: np.ndarray,
+    weights: np.ndarray,
+    response_matrix: np.ndarray,
+    denom: float,
+    num_poles: int,
+    num_polys: int,
+) -> Tuple[int, np.ndarray, np.ndarray]:
+    """
+    Construct an unconstrained least-squares system block for the given vector index.
+
+    This function is used when the fitting denominator becomes ill-conditioned
+    (too small or too large), and the original constrained system is replaced by
+    an alternative regularized least-squares problem. The A matrix is built by stacking
+    the real and imaginary parts of the basis evaluations, and the RHS vector b is
+    scaled by `denom`.
+
+    A standard QR decomposition is used to extract the square block of the system,
+    which can be solved independently from the constrained system.
+
+    Parameters
+    ----------
+    vec_idx : int
+        Index of the vector to process.
+    dk_matrix : ndarray of shape (num_samples, num_poles + num_polys)
+        Evaluated basis functions at sample points.
+    weights : ndarray of shape (num_vectors, num_samples)
+        Weight matrix per vector.
+    response_matrix : ndarray of shape (num_vectors, num_samples)
+        Response function values for each vector.
+    denom : float
+        Scaling factor applied to the right-hand side vector b.
+    num_poles : int
+        Number of poles in the model.
+    num_polys : int
+        Number of polynomial terms in the model.
+
+    Returns
+    -------
+    vec_idx : int
+        Index of the processed vector.
+    lhs_block : ndarray of shape (num_poles, num_poles)
+        Triangular matrix block from QR decomposition.
+    rhs_block : ndarray of shape (num_poles,)
+        Right-hand side vector block for this vector.
+    """
+    A1 = row_block_matrix(
+        dk_matrix, weights, response_matrix, vec_idx, num_poles, num_polys
+    )
+    A = np.vstack((A1.real, A1.imag))
+
+    b1 = denom * weights[vec_idx] * response_matrix[vec_idx]
+    b = np.concatenate((b1.real, b1.imag))
+
+    Q, R = qr(A, mode="economic")
+
+    lhs_block = R[
+        num_poles + num_polys : num_poles + num_polys + num_poles,
+        num_poles + num_polys : num_poles + num_polys + num_poles,
+    ]
+    rhs_block = Q[:, num_poles + num_polys : num_poles + num_polys + num_poles].T @ b
+    return vec_idx, lhs_block, rhs_block
+
+
+def identify_poles(
+    num_poles: int,
+    num_samples: int,
+    num_polys: int,
+    poles: np.ndarray,
+    eval_points: np.ndarray,
+    tol_high: float,
+    weights: np.ndarray,
+    response_matrix: np.ndarray,
+    num_vectors: int,
+    tol_low: float,
+) -> np.ndarray:
+    """
+    Internal routine to update poles via relaxed vector fitting.
+
+    Parameters
+    ----------
+    num_poles : int
+        Number of poles.
+    num_samples : int
+        Number of frequency samples.
+    num_polys : int
+        Number of polynomial terms.
+    poles : np.ndarray
+        Initial poles (complex), shape (num_poles,).
+    eval_points : np.ndarray
+        Real frequency values, shape (num_samples,).
+    tol_high : float
+        Upper tolerance threshold for denominator.
+    weights : np.ndarray
+        Weighting matrix, shape (num_vectors, num_samples).
+    response_matrix : np.ndarray
+        Complex frequency responses, shape (num_vectors, num_samples).
+    num_vectors : int
+        Number of response vectors.
+    tol_low : float
+        Lower tolerance threshold for denominator.
+
+    Returns
+    -------
+    np.ndarray
+        Updated poles as eigenvalues (shape: [num_poles]).
+    """
+    conj_index = label_conjugate_poles(poles)
+    dk_matrix = np.zeros(
+        (num_samples, num_poles + max(num_polys, 1)), dtype=np.complex128
+    )
+    compute_dk_matrix(
+        dk_matrix, eval_points, poles, conj_index, num_poles, num_polys, tol_high
+    )
+    # For relaxed vector fitting, include the constant term in the sigma(s)
+    # function even when no polynomial terms are requested. This ensures the
+    # constrained system is well-posed when n_polys == 0.
+    if num_polys == 0:
+        dk_matrix[:, num_poles] = 1.0 + 0j
+
+    scale_factor = (
+        np.sqrt(
+            sum(norm(weights[m] * response_matrix[m]) ** 2 for m in range(num_vectors))
+        )
+        / num_samples
+    )
+    lhs_matrix = np.zeros((num_vectors * (num_poles + 1), num_poles + 1))
+    rhs_vector = np.zeros(num_vectors * (num_poles + 1))
+
+    for vec_idx in range(num_vectors):
+        vec_idx, lhs_block, rhs_block = process_constrained_block(
+            vec_idx,
+            dk_matrix,
+            weights,
+            response_matrix,
+            num_samples,
+            num_poles,
+            num_polys,
+            scale_factor,
+            num_vectors,
+        )
+        i0 = vec_idx * (num_poles + 1)
+        i1 = (vec_idx + 1) * (num_poles + 1)
+        lhs_matrix[i0:i1] = lhs_block
+        rhs_vector[i0:i1] = rhs_block
+
+    solution, *_ = wlstsq(lhs_matrix, rhs_vector)
+    coeffs = solution[:-1]
+    denom = solution[-1]
+
+    if abs(denom) < tol_low or abs(denom) > tol_high:
+        lhs_matrix = np.zeros((num_vectors * num_poles, num_poles))
+        rhs_vector = np.zeros(num_vectors * num_poles)
+        # Adjust denom
+        if denom == 0.0:
+            denom = 1.0
+        elif abs(denom) < tol_low:
+            denom = np.sign(denom) * tol_low
+        elif abs(denom) > tol_high:
+            denom = np.sign(denom) * tol_high
+
+        # Allocate output
+        lhs_matrix = np.zeros((num_vectors * num_poles, num_poles))
+        rhs_vector = np.zeros(num_vectors * num_poles)
+
+        for vec_idx in range(num_vectors):
+            vec_idx, lhs_block, rhs_block = process_unconstrained_block(
+                vec_idx,
+                dk_matrix,
+                weights,
+                response_matrix,
+                denom,
+                num_poles,
+                num_polys,
+            )
+            i0 = vec_idx * num_poles
+            i1 = (vec_idx + 1) * num_poles
+            lhs_matrix[i0:i1] = lhs_block
+            rhs_vector[i0:i1] = rhs_block
+
+        coeffs, *_ = wlstsq(lhs_matrix, rhs_vector)
+
+    lambda_matrix = np.zeros((num_poles, num_poles))
+    scale_vector = np.ones((num_poles, 1))
+
+    # Mask for real poles (conj_index == 0)
+    mask_real = conj_index == 0
+    real_indices = np.where(mask_real)[0]
+    lambda_matrix[real_indices, real_indices] = np.real(poles[real_indices])
+
+    # Mask for start of complex conjugate pairs (conj_index == 1)
+    mask_cplx_start = conj_index == 1
+    cplx_indices = np.where(mask_cplx_start)[0]
+
+    # Extract real and imaginary parts of complex conjugate poles
+    real_parts = np.real(poles[cplx_indices])
+    imag_parts = np.imag(poles[cplx_indices])
+
+    # Diagonal assignments
+    lambda_matrix[cplx_indices, cplx_indices] = real_parts
+    lambda_matrix[cplx_indices + 1, cplx_indices + 1] = real_parts
+
+    # Off-diagonal assignments
+    lambda_matrix[cplx_indices, cplx_indices + 1] = imag_parts
+    lambda_matrix[cplx_indices + 1, cplx_indices] = -imag_parts
+
+    # Scaling vector adjustments
+    scale_vector[cplx_indices, 0] = 2.0
+    scale_vector[cplx_indices + 1, 0] = 0.0
+
+    residue_matrix = lambda_matrix - np.outer(scale_vector.squeeze(), coeffs) / denom
+    return eigvals(residue_matrix)
+
+
+def solve_vector_block(
+    vec_idx: int,
+    dk_matrix: np.ndarray,
+    weights: np.ndarray,
+    response_matrix: np.ndarray,
+    num_poles: int,
+    num_polys: int,
+) -> Tuple[int, np.ndarray, np.ndarray]:
+    """
+    Solve the least-squares system for a single vector index.
+
+    Parameters
+    ----------
+    vec_idx : int
+        Index of the vector to solve.
+    dk_matrix : ndarray
+        Basis function evaluations of shape (num_samples, num_poles + num_polys).
+    weights : ndarray
+        Weight array of shape (num_vectors, num_samples).
+    response_matrix : ndarray
+        Response array of shape (num_vectors, num_samples).
+    num_poles : int
+        Number of poles.
+    num_polys : int
+        Number of polynomial coefficients.
+
+    Returns
+    -------
+    vec_idx : int
+        The index of the solved vector.
+    residues : ndarray
+        Solution vector for the residues (length = num_poles).
+    poly_coeffs : ndarray or None
+        Solution vector for polynomial coefficients (length = num_polys), or None if num_polys == 0.
+    """
+    A = dk_matrix * weights[vec_idx][:, np.newaxis]
+    b = weights[vec_idx] * response_matrix[vec_idx]
+
+    lhs_matrix = np.vstack((A.real, A.imag))
+    rhs_vector = np.concatenate((b.real, b.imag))
+
+    x = wlstsq(lhs_matrix, rhs_vector)[0]
+
+    residues = x[:num_poles]
+    poly_coeffs = x[num_poles : num_poles + num_polys] if num_polys > 0 else None
+
+    return vec_idx, residues, poly_coeffs
+
+
+def identify_residues(
+    num_poles: int,
+    poles: np.ndarray,
+    num_samples: int,
+    num_polys: int,
+    eval_points: np.ndarray,
+    num_vectors: int,
+    weights: np.ndarray,
+    response_matrix: np.ndarray,
+    poly_coefficients: np.ndarray,
+    residue_matrix: np.ndarray,
+) -> Tuple[np.ndarray, float]:
+    """
+    Internal routine to compute residues and polynomial coefficients.
+
+    Parameters
+    ----------
+    num_poles : int
+        Number of poles.
+    poles : np.ndarray
+        Current poles (complex), shape (num_poles,).
+    num_samples : int
+        Number of frequency samples.
+    num_polys : int
+        Number of polynomial terms.
+    eval_points : np.ndarray
+        Real frequency values, shape (num_samples,).
+    num_vectors : int
+        Number of response vectors.
+    weights : np.ndarray
+        Weighting matrix, shape (num_vectors, num_samples).
+    response_matrix : np.ndarray
+        Complex frequency responses, shape (num_vectors, num_samples).
+    poly_coefficients : np.ndarray
+        Array to store output polynomial coefficients (in-place).
+    residue_matrix : np.ndarray
+        Array to store output residues (in-place).
+
+    Returns
+    -------
+    Tuple[np.ndarray, float]
+        - Fitted response matrix (np.ndarray)
+        - Root-mean-square fitting error (float)
+    """
+    conj_index = label_conjugate_poles(poles)
+    dk_matrix = np.zeros((num_samples, num_poles + num_polys), dtype=np.complex128)
+
+    compute_dk_matrix(dk_matrix, eval_points, poles, conj_index, num_poles, num_polys)
+
+    real_residues = np.zeros((num_vectors, num_poles), dtype=np.float64)
+
+    for vec_idx in range(num_vectors):
+        vec_idx, residues, poly_coeffs = solve_vector_block(
+            vec_idx,
+            dk_matrix,
+            weights,
+            response_matrix,
+            num_poles,
+            num_polys,
+        )
+        real_residues[vec_idx] = residues
+        if poly_coeffs is not None:
+            poly_coefficients[vec_idx] = poly_coeffs
+
+    # Mask for real poles
+    mask_real = conj_index == 0
+    real_indices = np.where(mask_real)[0]
+    residue_matrix[:, real_indices] = real_residues[:, real_indices]
+
+    # Mask for first of complex conjugate pairs
+    mask_cplx_start = conj_index == 1
+    cplx_indices = np.where(mask_cplx_start)[0]
+
+    # Compute complex residues using vectorized operations
+    residue_matrix[:, cplx_indices] = (
+        real_residues[:, cplx_indices] + 1j * real_residues[:, cplx_indices + 1]
+    )
+    residue_matrix[:, cplx_indices + 1] = (
+        real_residues[:, cplx_indices] - 1j * real_residues[:, cplx_indices + 1]
+    )
+
+    fit_result = evaluate(eval_points, poles, residue_matrix, poly_coefficients)
+    rms_error = norm(fit_result - response_matrix) / np.sqrt(num_vectors * num_samples)
+    return fit_result, rms_error
+
+
+def label_conjugate_poles(poles: np.ndarray) -> np.ndarray:
+    """
+    Ensure complex poles appear in conjugate pairs and label them accordingly.
+
+    Parameters
+    ----------
+    poles : np.ndarray
+        1D array of complex poles.
+
+    Returns
+    -------
+    np.ndarray
+        Array of integers indicating pole type:
+        - 0: real pole
+        - 1: first in a complex-conjugate pair
+        - 2: second in a complex-conjugate pair
+
+    Raises
+    ------
+    ValueError
+        If any complex pole does not have a valid conjugate pair.
+    """
+    num_poles = len(poles)
+    conj_index = np.zeros(num_poles, dtype=int)
+
+    # Identify complex poles (nonzero imaginary part)
+    is_complex = np.imag(poles) != 0.0
+
+    # Find conjugate pairs: poles[i+1] ≈ conj(poles[i])
+    is_pair_start = is_complex[:-1] & np.isclose(np.conj(poles[:-1]), poles[1:])
+
+    # Mark valid conjugate pair entries
+    conj_index[:-1][is_pair_start] = 1  # mark i with 1
+    conj_index[1:][is_pair_start] = 2  # mark i+1 with 2
+
+    # Now validate: all complex poles must be part of valid conjugate pairs
+    unmatched_complex = is_complex & (conj_index == 0)
+    if np.any(unmatched_complex):
+        raise ValueError("Complex poles must appear in conjugate pairs")
+
+    return conj_index
diff --git a/tests/unit_tests/test_data_multipole.py b/tests/unit_tests/test_data_multipole.py
index 105099bb9..a58ab4865 100644
--- a/tests/unit_tests/test_data_multipole.py
+++ b/tests/unit_tests/test_data_multipole.py
@@ -49,14 +49,40 @@ def test_export_to_hdf5(tmpdir, u235):
 
 
 def test_from_endf(endf_data):
-    pytest.importorskip('vectfit')
     endf_file = os.path.join(endf_data, 'neutrons', 'n-001_H_001.endf')
     assert openmc.data.WindowedMultipole.from_endf(
-            endf_file, log=True, wmp_options={"n_win": 400, "n_cf": 3})
+            endf_file,
+            log=True,
+            # Keep the test lightweight
+            vf_options={
+                "njoy_error": 5e-3,
+                "vf_pieces": 1,
+                "rtol": 5e-2,
+                "atol": 1e-3,
+                "orders": [8, 12],
+                "n_vf_iter": 6,
+            },
+            wmp_options={"n_win": 50, "n_cf": 3, "rtol": 5e-2, "atol": 1e-3},
+        )
 
 
 def test_from_endf_search(endf_data):
-    pytest.importorskip('vectfit')
-    endf_file = os.path.join(endf_data, 'neutrons', 'n-095_Am_244.endf')
+    endf_file = os.path.join(endf_data, 'neutrons', 'n-001_H_001.endf')
     assert openmc.data.WindowedMultipole.from_endf(
-            endf_file, log=True, wmp_options={"search": True, 'rtol':1e-2})
+            endf_file,
+            log=True,
+            vf_options={
+                "njoy_error": 5e-3,
+                "vf_pieces": 1,
+                "rtol": 5e-2,
+                "atol": 1e-3,
+                "orders": [8, 12],
+                "n_vf_iter": 6,
+            },
+            wmp_options={
+                "search": True,
+                "rtol": 5e-2,
+                "search_n_win": 3,
+                "search_cf_orders": [5, 3],
+            },
+        )
diff --git a/tests/unit_tests/test_vectfit.py b/tests/unit_tests/test_vectfit.py
new file mode 100644
index 000000000..f7b2e905d
--- /dev/null
+++ b/tests/unit_tests/test_vectfit.py
@@ -0,0 +1,224 @@
+"""
+Initially from Jingang Liang: https://github.com/mit-crpg/vectfit.git
+"""
+
+import numpy as np
+import pytest
+from openmc.data.vectfit import evaluate, vectfit
+
+
+@pytest.fixture
+def ref_poles():
+    """Reference poles for real-pole test."""
+    return np.array(
+        [
+            9.709261771920490e02 + 0.0j,
+            -1.120960794075339e03 + 0.0j,
+            1.923889557426567e00 + 7.543700246109742e01j,
+            1.923889557426567e00 - 7.543700246109742e01j,
+            1.159741300380281e02 + 3.595650922556496e-02j,
+            1.159741300380281e02 - 3.595650922556496e-02j,
+            1.546932165729394e02 + 8.728391144940301e-02j,
+            1.546932165729394e02 - 8.728391144940301e-02j,
+            2.280349190818197e02 + 2.814037559718684e-01j,
+            2.280349190818197e02 - 2.814037559718684e-01j,
+            2.313004772627853e02 + 3.004628477692201e-01j,
+            2.313004772627853e02 - 3.004628477692201e-01j,
+            2.787470098364861e02 + 3.414179169920170e-01j,
+            2.787470098364861e02 - 3.414179169920170e-01j,
+            3.570711338764254e02 + 4.485587371149193e-01j,
+            3.570711338764254e02 - 4.485587371149193e-01j,
+            4.701059001346060e02 + 6.598089307174224e-01j,
+            4.701059001346060e02 - 6.598089307174224e-01j,
+            7.275819506342254e02 + 1.189678974845038e03j,
+            7.275819506342254e02 - 1.189678974845038e03j,
+        ]
+    )
+
+
+@pytest.fixture
+def ref_residues():
+    """Reference residues for real-pole test."""
+    return np.array(
+        [
+            [
+                -3.269879776751686e07 + 0.0j,
+                1.131087935798761e09 + 0.0j,
+                1.634151281869857e04 + 2.251103589277891e05j,
+                1.634151281869857e04 - 2.251103589277891e05j,
+                3.281792303833561e03 - 1.756079516325274e04j,
+                3.281792303833561e03 + 1.756079516325274e04j,
+                1.110800880243503e04 - 4.324813594540043e04j,
+                1.110800880243503e04 + 4.324813594540043e04j,
+                8.812700704117636e04 - 2.256520243571103e05j,
+                8.812700704117636e04 + 2.256520243571103e05j,
+                5.842090495551535e04 - 1.442159380741478e05j,
+                5.842090495551535e04 + 1.442159380741478e05j,
+                1.339410514130921e05 - 2.640767909713812e05j,
+                1.339410514130921e05 + 2.640767909713812e05j,
+                2.211245633333130e05 - 3.222447758311512e05j,
+                2.211245633333130e05 + 3.222447758311512e05j,
+                4.124430059785149e05 - 4.076023108323907e05j,
+                4.124430059785149e05 + 4.076023108323907e05j,
+                1.607378314999252e09 - 1.401163320110452e08j,
+                1.607378314999252e09 + 1.401163320110452e08j,
+            ]
+        ]
+    )
+
+
+@pytest.fixture
+def vector_test_data():
+    """Simple 2-signal test with known poles and residues."""
+    Ns = 101
+    s = np.linspace(3.0, 7.0, Ns)
+    poles = [5.0 + 0.1j, 5.0 - 0.1j]
+    residues = [[0.5 - 11.0j, 0.5 + 11.0j], [1.5 - 20.0j, 1.5 + 20.0j]]
+    f = np.zeros((2, Ns))
+    for i in range(2):
+        f[i, :] = np.real(
+            residues[i][0] / (s - poles[0]) + residues[i][1] / (s - poles[1])
+        )
+    weight = 1.0 / f
+    init_poles = [3.5 + 0.035j, 3.5 - 0.035j]
+    return s, poles, residues, f, weight, init_poles
+
+
+@pytest.fixture
+def poly_test_data():
+    """Test data with rational function plus polynomial terms."""
+    Ns = 201
+    s = np.linspace(0.0, 5.0, Ns)
+    poles = [-20.0 + 30.0j, -20.0 - 30.0j]
+    residues = [[5.0 + 10.0j, 5.0 - 10.0j]]
+    polys = [[1.0, 2.0, 0.3]]
+    f = evaluate(s, poles, residues, polys)
+    weight = 1.0 / f
+    init_poles = [2.5 + 0.025j, 2.5 - 0.025j]
+    return s, poles, residues, polys, f, weight, init_poles
+
+
+@pytest.fixture
+def real_poles_data(ref_poles, ref_residues):
+    """Large-scale signal using complex and real poles."""
+    Ns = 2000
+    s = np.linspace(1.0e-2, 5.0e3, Ns)
+    f = np.zeros((1, Ns))
+    for p, r in zip(ref_poles, ref_residues[0]):
+        f[0] += (r / (s - p)).real
+    weight = 1.0 / f
+    poles = np.linspace(1.1e-2, 4.8e3, 10)
+    poles = poles + poles * 0.01j
+    poles = np.sort(np.append(poles, np.conj(poles)))
+    return s, f, weight, poles
+
+
+@pytest.fixture
+def large_test_data():
+    """Stress test data with thousands of poles and samples."""
+    Ns = 3000
+    N = 200
+    s = np.linspace(1.0e-2, 5.0e3, Ns)
+    poles = np.linspace(1.1e-2, 4.8e3, N // 2) + 0.01j * np.linspace(
+        1.1e-2, 4.8e3, N // 2
+    )
+    poles = np.sort(np.append(poles, np.conj(poles)))
+    residues = np.linspace(1e2, 1e6, N // 2) + 0.5j * np.linspace(1e2, 1e6, N // 2)
+    residues = np.sort(np.append(residues, np.conj(residues))).reshape((1, N))
+    f = np.zeros((1, Ns))
+    for p, r in zip(poles, residues[0]):
+        f[0] += (r / (s - p)).real
+    weight = 1.0 / f
+    init_poles = np.linspace(1.2e-2, 4.7e3, N // 2) + 0.01j * np.linspace(
+        1.2e-2, 4.7e3, N // 2
+    )
+    init_poles = np.sort(np.append(init_poles, np.conj(init_poles)))
+    return s, f, weight, init_poles
+
+
+@pytest.fixture
+def eval_test_data():
+    """Reference data for evaluating rational + polynomial models."""
+    Ns = 101
+    s = np.linspace(-5.0, 5.0, Ns)
+    poles = [-2.0 + 30.0j, -2.0 - 30.0j]
+    residues = [5.0 + 10.0j, 5.0 - 10.0j]
+    polys = [1.0, 2.0, 0.3]
+    return s, poles, residues, polys
+
+
+def test_vector(vector_test_data):
+    """Test vectfit with vector samples and simple poles.
+    It is expected to get exact results with one iteration.
+    """
+    s, expected_poles, expected_residues, f, weight, init_poles = vector_test_data
+    poles, residues, _, fit, _ = vectfit(f, s, init_poles, weight)
+    assert np.allclose(
+        np.sort_complex(poles), np.sort_complex(expected_poles), rtol=1e-7
+    )
+    assert np.allclose(f, evaluate(s, poles, residues), rtol=1e-7)
+    assert np.allclose(f, fit, rtol=1e-5)
+
+
+def test_poly(poly_test_data):
+    """Test vectfit with polynomials."""
+    s, expected_poles, expected_residues, expected_polys, f, weight, init_poles = (
+        poly_test_data
+    )
+    poles, residues, cf, fit, _ = vectfit(f, s, init_poles, weight, n_polys=3)
+    poles, residues, cf, fit, _ = vectfit(f, s, poles, weight, n_polys=3)
+    assert np.allclose(
+        np.sort_complex(poles), np.sort_complex(expected_poles), rtol=1e-5
+    )
+    assert np.allclose(f, evaluate(s, poles, residues, cf), rtol=1e-5)
+    assert np.allclose(cf, expected_polys, rtol=1e-5)
+    assert np.allclose(f, fit, rtol=1e-4)
+
+
+def test_real_poles(real_poles_data, ref_poles, ref_residues):
+    """Test vectfit with more poles including real poles"""
+    s, f, weight, poles = real_poles_data
+    for _ in range(6):
+        poles, residues, _, fit, _ = vectfit(f, s, poles, weight)
+    assert np.allclose(
+        np.sort_complex(poles), np.sort_complex(ref_poles), rtol=1e-5, atol=1e-8
+    )
+    assert np.allclose(f, evaluate(s, poles, residues), rtol=1e-4)
+    assert np.allclose(f, fit, rtol=1e-3)
+
+
+def test_large(large_test_data):
+    """Test vectfit with a large set of poles and samples"""
+    s, f, weight, init_poles = large_test_data
+    poles_fit, residues_fit, _, f_fit, _ = vectfit(f, s, init_poles, weight)
+    assert np.allclose(f, f_fit, rtol=1e-3)
+
+
+def test_evaluate(eval_test_data):
+    """Test evaluate function"""
+    s, poles, residues, polys = eval_test_data
+
+    # Single signal, no polynomial
+    f_ref = np.real(residues[0] / (s - poles[0]) + residues[1] / (s - poles[1]))
+    f = evaluate(s, poles, residues)
+    assert np.allclose(f[0], f_ref)
+
+    # Single signal, with polynomial
+    for n, c in enumerate(polys):
+        f_ref += c * np.power(s, n)
+    f = evaluate(s, poles, residues, polys)
+    assert np.allclose(f[0], f_ref)
+
+    # Multi-signal, multi-residue, multi-poly
+    poles = [5.0 + 0.1j, 5.0 - 0.1j]
+    residues = [[0.5 - 11.0j, 0.5 + 11.0j], [1.5 - 20.0j, 1.5 + 20.0j]]
+    polys = [[1.0, 2.0, 0.3], [4.0, -2.0, -10.0]]
+    f_ref = np.zeros((2, len(s)))
+    for i in range(2):
+        f_ref[i, :] = np.real(
+            residues[i][0] / (s - poles[0]) + residues[i][1] / (s - poles[1])
+        )
+        for n, c in enumerate(polys[i]):
+            f_ref[i, :] += c * np.power(s, n)
+    f = evaluate(s, poles, residues, polys)
+    assert np.allclose(f, f_ref)
diff --git a/tools/ci/gha-install-vectfit.sh b/tools/ci/gha-install-vectfit.sh
deleted file mode 100755
index bd38e1ea8..000000000
--- a/tools/ci/gha-install-vectfit.sh
+++ /dev/null
@@ -1,46 +0,0 @@
-#!/bin/bash
-set -ex
-
-PYBIND_BRANCH='master'
-PYBIND_REPO='https://github.com/pybind/pybind11'
-
-XTL_BRANCH='0.6.13'
-XTL_REPO='https://github.com/xtensor-stack/xtl'
-
-XTENSOR_BRANCH='0.21.3'
-XTENSOR_REPO='https://github.com/xtensor-stack/xtensor'
-
-XTENSOR_PYTHON_BRANCH='0.24.1'
-XTENSOR_PYTHON_REPO='https://github.com/xtensor-stack/xtensor-python'
-
-XTENSOR_BLAS_BRANCH='0.17.1'
-XTENSOR_BLAS_REPO='https://github.com/xtensor-stack/xtensor-blas'
-
-cd $HOME
-git clone -b $PYBIND_BRANCH $PYBIND_REPO
-cd pybind11 && mkdir build && cd build && cmake .. && sudo make install
-pip install $HOME/pybind11
-
-cd $HOME
-git clone -b $XTL_BRANCH $XTL_REPO
-cd xtl && mkdir build && cd build && cmake .. && sudo make install
-
-cd $HOME
-git clone -b $XTENSOR_BRANCH $XTENSOR_REPO
-cd xtensor && mkdir build && cd build && cmake .. && sudo make install
-
-cd $HOME
-git clone -b $XTENSOR_PYTHON_BRANCH $XTENSOR_PYTHON_REPO
-cd xtensor-python && mkdir build && cd build && cmake .. && sudo make install
-
-cd $HOME
-git clone -b $XTENSOR_BLAS_BRANCH $XTENSOR_BLAS_REPO
-cd xtensor-blas && mkdir build && cd build && cmake .. && sudo make install
-
-# Install wheel (remove when vectfit supports installation with build isolation)
-pip install wheel
-
-# Install vectfit
-cd $HOME
-git clone https://github.com/liangjg/vectfit.git
-pip install --no-build-isolation ./vectfit
diff --git a/tools/ci/gha-install.sh b/tools/ci/gha-install.sh
index cccac866c..f405baedd 100755
--- a/tools/ci/gha-install.sh
+++ b/tools/ci/gha-install.sh
@@ -18,11 +18,6 @@ fi
 pip install 'ncrystal>=4.1.0'
 nctool --test
 
-# Install vectfit for WMP generation if needed
-if [[ $VECTFIT = 'y' ]]; then
-    ./tools/ci/gha-install-vectfit.sh
-fi
-
 # Install libMesh if needed
 if [[ $LIBMESH = 'y' ]]; then
     ./tools/ci/gha-install-libmesh.sh

From 96383fcb2bb40da733b55241779ce75d2d9ab9c3 Mon Sep 17 00:00:00 2001
From: GuySten <62616591+GuySten@users.noreply.github.com>
Date: Wed, 11 Feb 2026 23:05:07 +0200
Subject: [PATCH 2518/2654] More interpolation types in Tabular. (#3413)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 include/openmc/math_functions.h |  12 +++
 openmc/stats/univariate.py      | 155 +++++++++++++++++++++++++-------
 src/distribution.cpp            |  43 +++++++--
 src/math_functions.cpp          |  18 ++++
 tests/unit_tests/test_stats.py  |  18 +++-
 5 files changed, 201 insertions(+), 45 deletions(-)

diff --git a/include/openmc/math_functions.h b/include/openmc/math_functions.h
index 0d960c33d..d67b8305e 100644
--- a/include/openmc/math_functions.h
+++ b/include/openmc/math_functions.h
@@ -201,6 +201,18 @@ std::complex<double> faddeeva(std::complex<double> z);
 //! \return Derivative of Faddeeva function evaluated at z
 std::complex<double> w_derivative(std::complex<double> z, int order);
 
+//! Evaluate relative exponential function
+//!
+//! \param x Real argument
+//! \return (exp(x)-1)/x without loss of precision near 0
+double exprel(double x);
+
+//! Evaluate relative logarithm function
+//!
+//! \param x Real argument
+//! \return log(1+x)/x without loss of precision near 0
+double log1prel(double x);
+
 //! Helper function to get index and interpolation function on an incident
 //! energy grid
 //!
diff --git a/openmc/stats/univariate.py b/openmc/stats/univariate.py
index 94258c833..3d46024a4 100644
--- a/openmc/stats/univariate.py
+++ b/openmc/stats/univariate.py
@@ -10,6 +10,7 @@ from warnings import warn
 import lxml.etree as ET
 import numpy as np
 from scipy.integrate import trapezoid
+from scipy.special import exprel, hyp1f1, lambertw
 import scipy
 
 import openmc.checkvalue as cv
@@ -25,6 +26,16 @@ _INTERPOLATION_SCHEMES = {
 }
 
 
+def exprel2(x):
+    """Evaluate 2*(exp(x)-1-x)/x^2 without loss of precision near 0"""
+    return hyp1f1(1, 3, x)
+
+
+def log1prel(x):
+    """Evaluate log(1+x)/x without loss of precision near 0"""
+    return np.where(np.abs(x) < 1e-16, 1.0, np.log1p(x) / x)
+
+
 class Univariate(EqualityMixin, ABC):
     """Probability distribution of a single random variable.
 
@@ -1299,44 +1310,64 @@ class Tabular(Univariate):
             c[1:] = p[:x.size-1] * np.diff(x)
         elif self.interpolation == 'linear-linear':
             c[1:] = 0.5 * (p[:-1] + p[1:]) * np.diff(x)
+        elif self.interpolation == "linear-log":
+            m = np.diff(p) / np.diff(np.log(x))
+            c[1:] = p[:-1] * np.diff(x) + m * (
+                x[1:] * (np.diff(np.log(x)) - 1.0) + x[:-1]
+            )
+        elif self.interpolation == "log-linear":
+            m = np.diff(np.log(p)) / np.diff(x)
+            c[1:] = p[:-1] * np.diff(x) * exprel(m * np.diff(x))
+        elif self.interpolation == "log-log":
+            m = np.diff(np.log(x * p)) / np.diff(np.log(x))
+            c[1:] = (x * p)[:-1] * np.diff(np.log(x)) * exprel(m * np.diff(np.log(x)))
         else:
-            raise NotImplementedError('Can only generate CDFs for tabular '
-                                      'distributions using histogram or '
-                                      'linear-linear interpolation')
-
+            raise NotImplementedError(
+                f"Cannot generate CDFs for tabular "
+                f"distributions using {self.interpolation} interpolation"
+            )
 
         return np.cumsum(c)
 
     def mean(self):
         """Compute the mean of the tabular distribution"""
-        if self.interpolation == 'linear-linear':
-            mean = 0.0
-            for i in range(1, len(self.x)):
-                y_min = self.p[i-1]
-                y_max = self.p[i]
-                x_min = self.x[i-1]
-                x_max = self.x[i]
 
-                m = (y_max - y_min) / (x_max - x_min)
+        # use normalized probabilities when computing mean
+        p = self.p / self.cdf().max()
+        x = self.x
+        x_min = x[:-1]
+        x_max = x[1:]
+        p_min = p[: x.size - 1]
 
-                exp_val = (1./3.) * m * (x_max**3 - x_min**3)
-                exp_val += 0.5 * m * x_min * (x_min**2 - x_max**2)
-                exp_val += 0.5 * y_min * (x_max**2 - x_min**2)
-                mean += exp_val
-
-        elif self.interpolation == 'histogram':
-            x_l = self.x[:-1]
-            x_r = self.x[1:]
-            p_l = self.p[:self.x.size-1]
-            mean = (0.5 * (x_l + x_r) * (x_r - x_l) * p_l).sum()
+        if self.interpolation == "linear-linear":
+            m = np.diff(p) / np.diff(x)
+            mean = ((1.0 / 3.0) * m * np.diff(x**3)
+                    + 0.5 * (p_min - m * x_min) * np.diff(x**2)).sum()
+        elif self.interpolation == "linear-log":
+            m = np.diff(p) / np.diff(np.log(x))
+            mean = (
+                (1.0 / 4.0) * m * x_min**2
+                * ((x_max / x_min)**2 * (2 * np.diff(np.log(x)) - 1) + 1)
+                + 0.5 * p_min * np.diff(x**2)
+            ).sum()
+        elif self.interpolation == "log-linear":
+            m = np.diff(np.log(p)) / np.diff(x)
+            mean = (p_min * (
+                np.diff(x) ** 2
+                * ((0.5 * exprel2(m * np.diff(x)) * (m * np.diff(x) - 1) + 1))
+                + np.diff(x) * x_min * exprel(m * np.diff(x)))
+            ).sum()
+        elif self.interpolation == "log-log":
+            m = np.diff(np.log(p)) / np.diff(np.log(x))
+            mean = (p_min * x_min**2 * np.diff(np.log(x))
+                    * exprel((m + 2) * np.diff(np.log(x)))).sum()
+        elif self.interpolation == "histogram":
+            mean = (0.5 * (x_min + x_max) * np.diff(x) * p_min).sum()
         else:
-            raise NotImplementedError('Can only compute mean for tabular '
-                                      'distributions using histogram '
-                                      'or linear-linear interpolation.')
-
-        # Normalize for when integral of distribution is not 1
-        mean /= self.integral()
-
+            raise NotImplementedError(
+                f"Cannot compute mean for tabular "
+                f"distributions using {self.interpolation} interpolation"
+            )
         return mean
 
     def normalize(self):
@@ -1395,11 +1426,56 @@ class Tabular(Univariate):
             quad[quad < 0.0] = 0.0
             m[non_zero] = x_i[non_zero] + (np.sqrt(quad) - p_i[non_zero]) / m[non_zero]
             samples_out = m
+        elif self.interpolation == "linear-log":
+            # get variable and probability values for the
+            # next entry
+            x_i1 = self.x[cdf_idx + 1]
+            p_i1 = p[cdf_idx + 1]
+            # compute slope between entries
+            m = (p_i1 - p_i) / np.log(x_i1 / x_i)
+            # set values for zero slope
+            zero = m == 0.0
+            m[zero] = x_i[zero] + (xi[zero] - c_i[zero]) / p_i[zero]
 
+            positive = m > 0
+            negative = m < 0
+            a = p_i / m - 1
+            m[positive] = (
+                x_i
+                * ((xi - c_i) / (m * x_i) + a)
+                / np.real(lambertw((((xi - c_i) / (m * x_i) + a)) * np.exp(a)))
+            )[positive]
+            m[negative] = (
+                x_i
+                * ((xi - c_i) / (m * x_i) + a)
+                / np.real(lambertw((((xi - c_i) / (m * x_i) + a)) * np.exp(a), -1.0))
+            )[negative]
+            samples_out = m
+        elif self.interpolation == "log-linear":
+            # get variable and probability values for the
+            # next entry
+            x_i1 = self.x[cdf_idx + 1]
+            p_i1 = p[cdf_idx + 1]
+            # compute slope between entries
+            m = np.log(p_i1 / p_i) / (x_i1 - x_i)
+            f = (xi - c_i) / p_i
+
+            samples_out = x_i + f * log1prel(m * f)
+        elif self.interpolation == "log-log":
+            # get variable and probability values for the
+            # next entry
+            x_i1 = self.x[cdf_idx + 1]
+            p_i1 = p[cdf_idx + 1]
+            # compute slope between entries
+            m = np.log((x_i1 * p_i1) / (x_i * p_i)) / np.log(x_i1 / x_i)
+            f = (xi - c_i) / (x_i * p_i)
+
+            samples_out = x_i * np.exp(f * log1prel(m * f))
         else:
-            raise NotImplementedError('Can only sample tabular distributions '
-                                      'using histogram or '
-                                      'linear-linear interpolation')
+            raise NotImplementedError(
+                f"Cannot sample tabular distributions "
+                f"for {self.inteprolation} interpolation "
+            )
 
         assert all(samples_out < self.x[-1])
         return samples_out
@@ -1497,9 +1573,22 @@ class Tabular(Univariate):
             return np.sum(np.diff(self.x) * self.p[:self.x.size-1])
         elif self.interpolation == 'linear-linear':
             return trapezoid(self.p, self.x)
+        elif self.interpolation == "linear-log":
+            m = np.diff(self.p) / np.diff(np.log(self.x))
+            return np.sum(
+                self.p[:-1] * np.diff(self.x)
+                + m * (self.x[1:] * (np.diff(np.log(self.x)) - 1.0) + self.x[:-1])
+            )
+        elif self.interpolation == "log-linear":
+            m = np.diff(np.log(self.p)) / np.diff(self.x)
+            return np.sum(self.p[:-1] * np.diff(self.x) * exprel(m * np.diff(self.x)))
+        elif self.interpolation == "log-log":
+            m = np.diff(np.log(self.p)) / np.diff(np.log(self.x))
+            return np.sum(self.p[:-1] * self.x[:-1] * np.diff(np.log(self.x))
+                          * exprel((m + 1) * np.diff(np.log(self.x))))
         else:
             raise NotImplementedError(
-                f'integral() not supported for {self.inteprolation} interpolation')
+                f'integral() not supported for {self.interpolation} interpolation')
 
 
 class Legendre(Univariate):
diff --git a/src/distribution.cpp b/src/distribution.cpp
index 537a56171..756b098ed 100644
--- a/src/distribution.cpp
+++ b/src/distribution.cpp
@@ -401,6 +401,10 @@ Tabular::Tabular(pugi::xml_node node)
       interp_ = Interpolation::histogram;
     } else if (temp == "linear-linear") {
       interp_ = Interpolation::lin_lin;
+    } else if (temp == "log-linear") {
+      interp_ = Interpolation::log_lin;
+    } else if (temp == "log-log") {
+      interp_ = Interpolation::log_log;
     } else {
       openmc::fatal_error(
         "Unsupported interpolation type for distribution: " + temp);
@@ -437,13 +441,6 @@ void Tabular::init(
   std::copy(x, x + n, std::back_inserter(x_));
   std::copy(p, p + n, std::back_inserter(p_));
 
-  // Check interpolation parameter
-  if (interp_ != Interpolation::histogram &&
-      interp_ != Interpolation::lin_lin) {
-    openmc::fatal_error("Only histogram and linear-linear interpolation "
-                        "for tabular distribution is supported.");
-  }
-
   // Calculate cumulative distribution function
   if (c) {
     std::copy(c, c + n, std::back_inserter(c_));
@@ -455,6 +452,18 @@ void Tabular::init(
         c_[i] = c_[i - 1] + p_[i - 1] * (x_[i] - x_[i - 1]);
       } else if (interp_ == Interpolation::lin_lin) {
         c_[i] = c_[i - 1] + 0.5 * (p_[i - 1] + p_[i]) * (x_[i] - x_[i - 1]);
+      } else if (interp_ == Interpolation::log_lin) {
+        double m = std::log(p_[i] / p_[i - 1]) / (x_[i] - x_[i - 1]);
+        c_[i] = c_[i - 1] + p_[i - 1] * (x_[i] - x_[i - 1]) *
+                              exprel(m * (x_[i] - x_[i - 1]));
+      } else if (interp_ == Interpolation::log_log) {
+        double m = std::log((x_[i] * p_[i]) / (x_[i - 1] * p_[i - 1])) /
+                   std::log(x_[i] / x_[i - 1]);
+        c_[i] = c_[i - 1] + x_[i - 1] * p_[i - 1] *
+                              std::log(x_[i] / x_[i - 1]) *
+                              exprel(m * std::log(x_[i] / x_[i - 1]));
+      } else {
+        UNREACHABLE();
       }
     }
   }
@@ -495,7 +504,7 @@ double Tabular::sample_unbiased(uint64_t* seed) const
     } else {
       return x_i;
     }
-  } else {
+  } else if (interp_ == Interpolation::lin_lin) {
     // Linear-linear interpolation
     double x_i1 = x_[i + 1];
     double p_i1 = p_[i + 1];
@@ -508,6 +517,24 @@ double Tabular::sample_unbiased(uint64_t* seed) const
              (std::sqrt(std::max(0.0, p_i * p_i + 2 * m * (c - c_i))) - p_i) /
                m;
     }
+  } else if (interp_ == Interpolation::log_lin) {
+    // Log-linear interpolation
+    double x_i1 = x_[i + 1];
+    double p_i1 = p_[i + 1];
+
+    double m = std::log(p_i1 / p_i) / (x_i1 - x_i);
+    double f = (c - c_i) / p_i;
+    return x_i + f * log1prel(m * f);
+  } else if (interp_ == Interpolation::log_log) {
+    // Log-Log interpolation
+    double x_i1 = x_[i + 1];
+    double p_i1 = p_[i + 1];
+
+    double m = std::log((x_i1 * p_i1) / (x_i * p_i)) / std::log(x_i1 / x_i);
+    double f = (c - c_i) / (p_i * x_i);
+    return x_i * std::exp(f * log1prel(m * f));
+  } else {
+    UNREACHABLE();
   }
 }
 
diff --git a/src/math_functions.cpp b/src/math_functions.cpp
index 9473f928b..f45165414 100644
--- a/src/math_functions.cpp
+++ b/src/math_functions.cpp
@@ -919,6 +919,24 @@ std::complex<double> w_derivative(std::complex<double> z, int order)
   }
 }
 
+double exprel(double x)
+{
+  if (std::abs(x) < 1e-16)
+    return 1.0;
+  else {
+    return std::expm1(x) / x;
+  }
+}
+
+double log1prel(double x)
+{
+  if (std::abs(x) < 1e-16)
+    return 1.0;
+  else {
+    return std::log1p(x) / x;
+  }
+}
+
 // Helper function to get index and interpolation function on an incident energy
 // grid
 void get_energy_index(
diff --git a/tests/unit_tests/test_stats.py b/tests/unit_tests/test_stats.py
index 507e85743..bdbdaa0f2 100644
--- a/tests/unit_tests/test_stats.py
+++ b/tests/unit_tests/test_stats.py
@@ -4,6 +4,7 @@ import numpy as np
 import pytest
 import openmc
 import openmc.stats
+from openmc.stats.univariate import _INTERPOLATION_SCHEMES
 from scipy.integrate import trapezoid
 
 from tests.unit_tests import assert_sample_mean
@@ -273,7 +274,7 @@ def test_watt():
 @pytest.mark.flaky(reruns=1)
 def test_tabular():
     # test linear-linear sampling
-    x = np.array([0.0, 5.0, 7.0, 10.0])
+    x = np.array([0.001, 5.0, 7.0, 10.0])
     p = np.array([10.0, 20.0, 5.0, 6.0])
     d = openmc.stats.Tabular(x, p, 'linear-linear')
     n_samples = 100_000
@@ -281,9 +282,12 @@ def test_tabular():
     assert_sample_mean(samples, d.mean())
     assert np.all(weights == 1.0)
 
-    # test linear-linear normalization
-    d.normalize()
-    assert d.integral() == pytest.approx(1.0)
+    for scheme in _INTERPOLATION_SCHEMES:
+        # test sampling
+        d = openmc.stats.Tabular(x, p, scheme)
+        n_samples = 100_000
+        samples = d.sample(n_samples)[0]
+        assert_sample_mean(samples, d.mean())
 
     # test histogram sampling
     d = openmc.stats.Tabular(x, p, interpolation='histogram')
@@ -291,6 +295,12 @@ def test_tabular():
     assert_sample_mean(samples, d.mean())
     assert np.all(weights == 1.0)
 
+    # Multiplying the probabilities should preserve the mean but change the integral
+    d2 = openmc.stats.Tabular(x, p*2, interpolation='histogram')
+    assert d2.mean() == pytest.approx(d.mean())
+    assert d2.integral() == pytest.approx(2.0*d.integral())
+
+    # Normalizing should result in an integral of 1
     d.normalize()
     assert d.integral() == pytest.approx(1.0)
 

From 26b13083f3c585a95ab6f3bfa8a961cbc9008725 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Thu, 12 Feb 2026 06:58:00 +0100
Subject: [PATCH 2519/2654] Use `gnds_name` and `zam` from endf package (#3796)

---
 openmc/data/data.py | 60 +++------------------------------------------
 1 file changed, 4 insertions(+), 56 deletions(-)

diff --git a/openmc/data/data.py b/openmc/data/data.py
index 03d67d7a9..c22e54e7d 100644
--- a/openmc/data/data.py
+++ b/openmc/data/data.py
@@ -7,7 +7,10 @@ from math import sqrt, log
 from warnings import warn
 
 from endf.data import (ATOMIC_NUMBER, ATOMIC_SYMBOL, ELEMENT_SYMBOL,
-                       EV_PER_MEV, K_BOLTZMANN)
+                       EV_PER_MEV, K_BOLTZMANN, gnds_name, zam)
+
+gnds_name.__module__ = __name__
+zam.__module__ = __name__
 
 # Isotopic abundances from Meija J, Coplen T B, et al, "Isotopic compositions
 # of the elements 2013 (IUPAC Technical Report)", Pure. Appl. Chem. 88 (3),
@@ -217,9 +220,6 @@ NEUTRON_MASS = 1.00866491595
 # Used in atomic_mass function as a cache
 _ATOMIC_MASS: dict[str, float] = {}
 
-# Regex for GNDS nuclide names (used in zam function)
-_GNDS_NAME_RE = re.compile(r'([A-Zn][a-z]*)(\d+)((?:_[em]\d+)?)')
-
 # Used in half_life function as a cache
 _HALF_LIFE: dict[str, float] = {}
 _LOG_TWO = log(2.0)
@@ -456,33 +456,6 @@ def water_density(temperature, pressure=0.1013):
     return coeff / pi / gamma1_pi
 
 
-def gnds_name(Z, A, m=0):
-    """Return nuclide name using GNDS convention
-
-    .. versionchanged:: 0.14.0
-        Function name changed from ``gnd_name`` to ``gnds_name``
-
-    Parameters
-    ----------
-    Z : int
-        Atomic number
-    A : int
-        Mass number
-    m : int, optional
-        Metastable state
-
-    Returns
-    -------
-    str
-        Nuclide name in GNDS convention, e.g., 'Am242_m1'
-
-    """
-    if m > 0:
-        return f'{ATOMIC_SYMBOL[Z]}{A}_m{m}'
-    return f'{ATOMIC_SYMBOL[Z]}{A}'
-
-
-
 def _get_element_symbol(element: str) -> str:
     if len(element) > 2:
         symbol = ELEMENT_SYMBOL.get(element.lower())
@@ -525,28 +498,3 @@ def isotopes(element: str) -> list[tuple[str, float]]:
     return result
 
 
-def zam(name):
-    """Return tuple of (atomic number, mass number, metastable state)
-
-    Parameters
-    ----------
-    name : str
-        Name of nuclide using GNDS convention, e.g., 'Am242_m1'
-
-    Returns
-    -------
-    3-tuple of int
-        Atomic number, mass number, and metastable state
-
-    """
-    try:
-        symbol, A, state = _GNDS_NAME_RE.fullmatch(name).groups()
-    except AttributeError:
-        raise ValueError(f"'{name}' does not appear to be a nuclide name in "
-                         "GNDS format")
-
-    if symbol not in ATOMIC_NUMBER:
-        raise ValueError(f"'{symbol}' is not a recognized element symbol")
-
-    metastable = int(state[2:]) if state else 0
-    return (ATOMIC_NUMBER[symbol], int(A), metastable)

From 8d0fe6c71d4c41ba039d9d1f36fcf55a4a8f8833 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Thu, 12 Feb 2026 11:11:28 +0100
Subject: [PATCH 2520/2654] making use of sum_rules in endf package (#3799)

---
 openmc/data/endf.py | 19 +------------------
 1 file changed, 1 insertion(+), 18 deletions(-)

diff --git a/openmc/data/endf.py b/openmc/data/endf.py
index bccd6b36b..1ac07a651 100644
--- a/openmc/data/endf.py
+++ b/openmc/data/endf.py
@@ -12,6 +12,7 @@ import re
 
 from .data import gnds_name
 from .function import Tabulated1D
+from endf.incident_neutron import SUM_RULES
 from endf.records import (
     float_endf,
     py_float_endf,
@@ -63,24 +64,6 @@ _SUBLIBRARY = {
     20040: 'Incident-alpha data'
 }
 
-SUM_RULES = {1: [2, 3],
-             3: [4, 5, 11, 16, 17, 22, 23, 24, 25, 27, 28, 29, 30, 32, 33, 34, 35,
-                 36, 37, 41, 42, 44, 45, 152, 153, 154, 156, 157, 158, 159, 160,
-                 161, 162, 163, 164, 165, 166, 167, 168, 169, 170, 171, 172,
-                 173, 174, 175, 176, 177, 178, 179, 180, 181, 183, 184, 185,
-                 186, 187, 188, 189, 190, 194, 195, 196, 198, 199, 200],
-             4: list(range(50, 92)),
-             16: list(range(875, 892)),
-             18: [19, 20, 21, 38],
-             27: [18, 101],
-             101: [102, 103, 104, 105, 106, 107, 108, 109, 111, 112, 113, 114,
-                   115, 116, 117, 155, 182, 191, 192, 193, 197],
-             103: list(range(600, 650)),
-             104: list(range(650, 700)),
-             105: list(range(700, 750)),
-             106: list(range(750, 800)),
-             107: list(range(800, 850))}
-
 
 def get_evaluations(filename):
     """Return a list of all evaluations within an ENDF file.

From a3426cf833c1e6b95efa3bd077a13677fa88429d Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 12 Feb 2026 06:30:31 -0600
Subject: [PATCH 2521/2654] Fix weight windows regression test (#3798)

---
 .../weightwindows/inputs_true.dat             |  22 +-
 .../weightwindows/results_true.dat            |   2 +-
 tests/regression_tests/weightwindows/test.py  |  13 +-
 tests/regression_tests/weightwindows/ww_n.txt | 314 +++++++--------
 tests/regression_tests/weightwindows/ww_p.txt | 372 +++++++++---------
 5 files changed, 359 insertions(+), 364 deletions(-)

diff --git a/tests/regression_tests/weightwindows/inputs_true.dat b/tests/regression_tests/weightwindows/inputs_true.dat
index eb9393179..aa7a0379d 100644
--- a/tests/regression_tests/weightwindows/inputs_true.dat
+++ b/tests/regression_tests/weightwindows/inputs_true.dat
@@ -4,7 +4,6 @@
     <material id="1">
       <density value="2.3" units="g/cc"/>
       <nuclide name="H1" ao="0.168018676"/>
-      <nuclide name="H2" ao="1.93244e-05"/>
       <nuclide name="O16" ao="0.561814465"/>
       <nuclide name="O17" ao="0.00021401"/>
       <nuclide name="Na23" ao="0.021365"/>
@@ -14,14 +13,9 @@
       <nuclide name="Si30" ao="0.006273944"/>
       <nuclide name="Ca40" ao="0.018026179"/>
       <nuclide name="Ca42" ao="0.00012031"/>
-      <nuclide name="Ca43" ao="2.51033e-05"/>
       <nuclide name="Ca44" ao="0.000387892"/>
-      <nuclide name="Ca46" ao="7.438e-07"/>
-      <nuclide name="Ca48" ao="3.47727e-05"/>
       <nuclide name="Fe54" ao="0.000248179"/>
       <nuclide name="Fe56" ao="0.003895875"/>
-      <nuclide name="Fe57" ao="8.99727e-05"/>
-      <nuclide name="Fe58" ao="1.19737e-05"/>
     </material>
   </materials>
   <geometry>
@@ -32,7 +26,7 @@
   </geometry>
   <settings>
     <run_mode>fixed source</run_mode>
-    <particles>200</particles>
+    <particles>500</particles>
     <batches>2</batches>
     <source type="independent" strength="1.0" particle="neutron">
       <space type="point">
@@ -47,8 +41,8 @@
       <mesh>2</mesh>
       <particle_type>neutron</particle_type>
       <energy_bounds>0.0 0.5 20000000.0</energy_bounds>
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8.582011716859219e-14 1.151457911727229e-09 0.004313097771132342 0.027847329307350423 0.0017287873387910357 6.401055165502385e-05 1.722191123879782e-07 0.0020848309220162036 0.5639071613735579 0.00018064550990294753 1.289814511028015e-05 1.078687446476881e-13 4.897735047310072 0.002981891705231209 0.0016079768514218546 0.0009332371598523186 0.11724714376848187 0.19040707071165303 0.0014242053195529865 0.6684484191345574 -10.0</upper_ww_bounds>
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+      <upper_ww_bounds>-10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 0.00020445691096074745 -10.0 -10.0 -10.0 0.0013281328509288383 0.006267128082339883 -10.0 -10.0 -10.0 -10.0 0.004209808495056742 0.0005340221214300681 -10.0 -10.0 -10.0 0.00015536934920423439 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 0.00037096847855980485 -10.0 -10.0 0.000541969614042385 0.007918090215756443 0.0009763572147337743 -10.0 -10.0 0.026398319229115234 0.4039871468258457 0.02806654735003014 -10.0 -10.0 0.027608366482897245 0.40190978087723006 0.025084416103979976 -10.0 -10.0 0.0009774868433298411 0.0061264049168796506 0.0014841730774317252 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 9.753424087171071e-05 0.00017610849405640073 -10.0 -10.0 0.001160370359598608 0.02822592083222468 0.003897177301239376 -10.0 -10.0 0.14965179733172532 5.0 0.11723491704290401 -10.0 0.0002260493623875525 0.15157364795884923 4.937699395340239 0.13111419473204966 -10.0 -10.0 0.0014919915366377564 0.02197964829133137 0.003209711829219673 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 0.00014806422867046437 -10.0 -10.0 -10.0 0.0009207268175745281 0.007066033561638983 -10.0 -10.0 -10.0 0.03246064903858183 0.39054930280659084 0.025380574501073606 -10.0 -10.0 0.03249926021191793 0.4335567738779479 0.03157721455701706 0.0004521352809838806 -10.0 0.0018268090756001904 0.004353654810741932 0.001127325957309237 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 9.650194311662424e-05 0.0029403373970835075 0.0013506203419326437 -10.0 -10.0 4.5065302725431816e-05 0.002772532363874424 0.0003547290864255937 -10.0 -10.0 -10.0 0.0008786172732576295 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0</upper_ww_bounds>
       <survival_ratio>3.0</survival_ratio>
       <max_lower_bound_ratio>1.5</max_lower_bound_ratio>
       <max_split>10</max_split>
       <weight_cutoff>1e-38</weight_cutoff>
     </weight_windows>
+    <weight_window_checkpoints>
+      <collision>true</collision>
+      <surface>true</surface>
+    </weight_window_checkpoints>
     <max_history_splits>200</max_history_splits>
   </settings>
   <tallies>
diff --git a/tests/regression_tests/weightwindows/results_true.dat b/tests/regression_tests/weightwindows/results_true.dat
index 122c5d890..897089e05 100644
--- a/tests/regression_tests/weightwindows/results_true.dat
+++ b/tests/regression_tests/weightwindows/results_true.dat
@@ -1 +1 @@
-5df0c08573ccee3fd3495c877c7dc0c4b69c245faf8473b848c89fb837dea7fd437936ffebeb6455c793e66046c46eb0ad6941cc5ef1699fc5fc8a7fcb9b5a0c
\ No newline at end of file
+a4a3ccca43666e2ca1e71800201b152cca20c387b93d67522c5339807348dcee5cada9acbed3238f37e2e86e76b374b06988742f07d4ea1b413e4e75d0c180b1
\ No newline at end of file
diff --git a/tests/regression_tests/weightwindows/test.py b/tests/regression_tests/weightwindows/test.py
index cfb651338..c22ca1b75 100644
--- a/tests/regression_tests/weightwindows/test.py
+++ b/tests/regression_tests/weightwindows/test.py
@@ -7,7 +7,6 @@ from openmc.stats import Discrete, Point
 from tests.testing_harness import HashedPyAPITestHarness
 
 
-
 @pytest.fixture
 def model():
     model = openmc.Model()
@@ -16,7 +15,6 @@ def model():
     m4 = openmc.Material()
     m4.set_density('g/cc', 2.3)
     m4.add_nuclide('H1', 0.168018676)
-    m4.add_nuclide("H2", 1.93244e-05)
     m4.add_nuclide("O16", 0.561814465)
     m4.add_nuclide("O17", 0.00021401)
     m4.add_nuclide("Na23", 0.021365)
@@ -26,14 +24,9 @@ def model():
     m4.add_nuclide("Si30", 0.006273944)
     m4.add_nuclide("Ca40", 0.018026179)
     m4.add_nuclide("Ca42", 0.00012031)
-    m4.add_nuclide("Ca43", 2.51033e-05)
     m4.add_nuclide("Ca44", 0.000387892)
-    m4.add_nuclide("Ca46", 7.438e-07)
-    m4.add_nuclide("Ca48", 3.47727e-05)
     m4.add_nuclide("Fe54", 0.000248179)
     m4.add_nuclide("Fe56", 0.003895875)
-    m4.add_nuclide("Fe57", 8.99727e-05)
-    m4.add_nuclide("Fe58", 1.19737e-05)
 
     s0 = openmc.Sphere(r=240)
     s1 = openmc.Sphere(r=250, boundary_type='vacuum')
@@ -46,10 +39,12 @@ def model():
     # settings
     settings = model.settings
     settings.run_mode = 'fixed source'
-    settings.particles = 200
+    settings.particles = 500
     settings.batches = 2
     settings.max_history_splits = 200
     settings.photon_transport = True
+    settings.weight_window_checkpoints = {'surface': True,
+                                          'collision': True}
     space = Point((0.001, 0.001, 0.001))
     energy = Discrete([14E6], [1.0])
 
@@ -93,6 +88,7 @@ def model():
                                 None,
                                 10.0,
                                 e_bnds,
+                                'neutron',
                                 max_lower_bound_ratio=1.5)
 
     ww_p = openmc.WeightWindows(ww_mesh,
@@ -100,6 +96,7 @@ def model():
                                 None,
                                 10.0,
                                 e_bnds,
+                                'photon',
                                 max_lower_bound_ratio=1.5)
 
     model.settings.weight_windows = [ww_n, ww_p]
diff --git a/tests/regression_tests/weightwindows/ww_n.txt b/tests/regression_tests/weightwindows/ww_n.txt
index dbb49537b..36d7673c6 100644
--- a/tests/regression_tests/weightwindows/ww_n.txt
+++ b/tests/regression_tests/weightwindows/ww_n.txt
@@ -10,43 +10,30 @@
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diff --git a/tests/regression_tests/weightwindows/ww_p.txt b/tests/regression_tests/weightwindows/ww_p.txt
index 09ff01ebd..da69b9e13 100644
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From 8198e6021dae83e4e9519108ca1483ad656f06a4 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 12 Feb 2026 10:25:56 -0600
Subject: [PATCH 2522/2654] Add truncated normal distribution support (#3761)

---
 .../parameterized_source_ring.cpp             |   4 +-
 include/openmc/distribution.h                 |  27 +++--
 include/openmc/math_functions.h               |  10 ++
 openmc/stats/univariate.py                    | 105 +++++++++++++++---
 src/distribution.cpp                          |  74 +++++++++++-
 src/math_functions.cpp                        |   7 ++
 tests/cpp_unit_tests/test_distribution.cpp    | 100 +++++++++++++++++
 tests/unit_tests/test_stats.py                |  86 ++++++++++++++
 8 files changed, 385 insertions(+), 28 deletions(-)

diff --git a/examples/parameterized_custom_source/parameterized_source_ring.cpp b/examples/parameterized_custom_source/parameterized_source_ring.cpp
index a983414f1..9756e1b97 100644
--- a/examples/parameterized_custom_source/parameterized_source_ring.cpp
+++ b/examples/parameterized_custom_source/parameterized_source_ring.cpp
@@ -1,5 +1,5 @@
-#include <cmath>  // for M_PI
-#include <memory> // for unique_ptr
+#include <cmath>
+#include <memory>
 #include <unordered_map>
 
 #include "openmc/particle.h"
diff --git a/include/openmc/distribution.h b/include/openmc/distribution.h
index 80fe70bae..cd81d8801 100644
--- a/include/openmc/distribution.h
+++ b/include/openmc/distribution.h
@@ -265,23 +265,29 @@ private:
 };
 
 //==============================================================================
-//! Normal distributions with form 1/2*std_dev*sqrt(pi) exp
-//! (-(e-E0)/2*std_dev)^2
+//! Normal distribution with optional truncation bounds.
+//!
+//! The standard normal PDF is 1/(sqrt(2*pi)*sigma) *
+//! exp(-(x-mu)^2/(2*sigma^2)). When truncated to [lower, upper], the PDF is
+//! renormalized so that it integrates to 1 over the truncation interval.
 //==============================================================================
 
 class Normal : public Distribution {
 public:
   explicit Normal(pugi::xml_node node);
-  Normal(double mean_value, double std_dev)
-    : mean_value_ {mean_value}, std_dev_ {std_dev} {};
+  Normal(double mean_value, double std_dev, double lower = -INFTY,
+    double upper = INFTY);
 
   //! Evaluate probability density, f(x), at a point
   //! \param x Point to evaluate f(x)
-  //! \return f(x)
+  //! \return f(x), accounting for truncation normalization
   double evaluate(double x) const override;
 
   double mean_value() const { return mean_value_; }
   double std_dev() const { return std_dev_; }
+  double lower() const { return lower_; }
+  double upper() const { return upper_; }
+  bool is_truncated() const { return is_truncated_; }
 
 protected:
   //! Sample a value (unbiased) from the distribution
@@ -290,8 +296,15 @@ protected:
   double sample_unbiased(uint64_t* seed) const override;
 
 private:
-  double mean_value_; //!< middle of distribution [eV]
-  double std_dev_;    //!< standard deviation [eV]
+  double mean_value_;  //!< Mean of distribution
+  double std_dev_;     //!< Standard deviation
+  double lower_;       //!< Lower truncation bound (default: -INFTY)
+  double upper_;       //!< Upper truncation bound (default: +INFTY)
+  bool is_truncated_;  //!< True if bounds are finite
+  double norm_factor_; //!< Normalization factor for truncated distribution
+
+  //! Compute normalization factor for truncated distribution
+  void compute_normalization();
 };
 
 //==============================================================================
diff --git a/include/openmc/math_functions.h b/include/openmc/math_functions.h
index d67b8305e..dcc0e21fe 100644
--- a/include/openmc/math_functions.h
+++ b/include/openmc/math_functions.h
@@ -223,5 +223,15 @@ double log1prel(double x);
 void get_energy_index(
   const vector<double>& energies, double E, int& i, double& f);
 
+//==============================================================================
+//! Calculate the cumulative distribution function of the standard normal
+//! distribution at a given value.
+//!
+//! \param z The value at which to evaluate the CDF
+//! \return Phi(z) = P(X <= z) for X ~ N(0,1)
+//==============================================================================
+
+double standard_normal_cdf(double z);
+
 } // namespace openmc
 #endif // OPENMC_MATH_FUNCTIONS_H
diff --git a/openmc/stats/univariate.py b/openmc/stats/univariate.py
index 3d46024a4..c6ce217fb 100644
--- a/openmc/stats/univariate.py
+++ b/openmc/stats/univariate.py
@@ -1049,18 +1049,27 @@ class Watt(Univariate):
 
 
 class Normal(Univariate):
-    r"""Normally distributed sampling.
+    r"""Normally distributed sampling with optional truncation.
 
-    The Normal Distribution is characterized by two parameters
-    :math:`\mu` and :math:`\sigma` and has density function
-    :math:`p(X) dX = 1/(\sqrt{2\pi}\sigma) e^{-(X-\mu)^2/(2\sigma^2)}`
+    The normal distribution is characterized by parameters :math:`\mu` and
+    :math:`\sigma` and has density function :math:`p(X) = 1/(\sqrt{2\pi}\sigma)
+    e^{-(X-\mu)^2/(2\sigma^2)}`. When truncated to the interval [lower, upper],
+    the distribution is renormalized so that the PDF integrates to 1 over the
+    truncation interval.
+
+    .. versionchanged:: 0.15.4
+        Added optional truncation bounds via `lower` and `upper` parameters.
 
     Parameters
     ----------
     mean_value : float
-        Mean value of the  distribution
+        Mean value of the distribution
     std_dev : float
         Standard deviation of the Normal distribution
+    lower : float, optional
+        Lower truncation bound. Defaults to -infinity (no lower bound).
+    upper : float, optional
+        Upper truncation bound. Defaults to +infinity (no upper bound).
     bias : openmc.stats.Univariate, optional
         Distribution for biased sampling.
 
@@ -1070,6 +1079,10 @@ class Normal(Univariate):
         Mean of the Normal distribution
     std_dev : float
         Standard deviation of the Normal distribution
+    lower : float
+        Lower truncation bound
+    upper : float
+        Upper truncation bound
     support : tuple of float
         A 2-tuple (lower, upper) defining the interval over which the
         distribution is nonzero-valued
@@ -1077,12 +1090,18 @@ class Normal(Univariate):
         Distribution for biased sampling
     """
 
-    def __init__(self, mean_value, std_dev, bias: Univariate | None = None):
+    def __init__(self, mean_value, std_dev, lower=-np.inf, upper=np.inf,
+                 bias: Univariate | None = None):
         self.mean_value = mean_value
         self.std_dev = std_dev
+        self.lower = lower
+        self.upper = upper
+        self._compute_normalization()
         super().__init__(bias)
 
     def __len__(self):
+        if self._is_truncated:
+            return 4
         return 2
 
     @property
@@ -1104,16 +1123,69 @@ class Normal(Univariate):
         cv.check_greater_than('Normal std_dev', std_dev, 0.0)
         self._std_dev = std_dev
 
+    @property
+    def lower(self):
+        return self._lower
+
+    @lower.setter
+    def lower(self, lower):
+        cv.check_type('Normal lower bound', lower, Real)
+        self._lower = lower
+
+    @property
+    def upper(self):
+        return self._upper
+
+    @upper.setter
+    def upper(self, upper):
+        cv.check_type('Normal upper bound', upper, Real)
+        self._upper = upper
+
+    def _compute_normalization(self):
+        """Compute normalization factor for truncated distribution."""
+        # Check if truncation bounds are finite
+        self._is_truncated = (self._lower > -np.inf or self._upper < np.inf)
+
+        if self._lower >= self._upper:
+            raise ValueError("Normal distribution lower bound must be less "
+                             "than upper bound.")
+
+        if self._is_truncated:
+            alpha = (self._lower - self._mean_value) / self._std_dev
+            beta = (self._upper - self._mean_value) / self._std_dev
+            cdf_diff = scipy.stats.norm.cdf(beta) - scipy.stats.norm.cdf(alpha)
+            if cdf_diff <= 0:
+                raise ValueError("Truncation bounds exclude entire distribution")
+            self._norm_factor = 1.0 / cdf_diff
+        else:
+            self._norm_factor = 1.0
+
     @property
     def support(self):
-        return (-np.inf, np.inf)
+        return (self._lower, self._upper)
 
     def _sample_unbiased(self, n_samples=1, seed=None):
         rng = np.random.RandomState(seed)
-        return rng.normal(self.mean_value, self.std_dev, n_samples)
+        if not self._is_truncated:
+            return rng.normal(self.mean_value, self.std_dev, n_samples)
+        else:
+            # Use scipy's truncated normal for efficient direct sampling
+            a = (self._lower - self._mean_value) / self._std_dev
+            b = (self._upper - self._mean_value) / self._std_dev
+            return scipy.stats.truncnorm.rvs(
+                a, b, loc=self._mean_value, scale=self._std_dev,
+                size=n_samples, random_state=rng
+            )
 
     def evaluate(self, x):
-        return scipy.stats.norm.pdf(x, self.mean_value, self.std_dev)
+        """Evaluate PDF at x, returning normalized value for truncated dist."""
+        x = np.asarray(x)
+        f = scipy.stats.norm.pdf(x, self.mean_value, self.std_dev)
+        if self._is_truncated:
+            # PDF is zero outside bounds
+            in_bounds = (x >= self._lower) & (x <= self._upper)
+            f = np.where(in_bounds, f * self._norm_factor, 0.0)
+        return f
 
     def to_xml_element(self, element_name: str):
         """Return XML representation of the Normal distribution
@@ -1126,12 +1198,16 @@ class Normal(Univariate):
         Returns
         -------
         element : lxml.etree._Element
-            XML element containing Watt distribution data
+            XML element containing Normal distribution data
 
         """
         element = ET.Element(element_name)
         element.set("type", "normal")
-        element.set("parameters", f'{self.mean_value} {self.std_dev}')
+        if self._is_truncated:
+            element.set("parameters",
+                f'{self.mean_value} {self.std_dev} {self.lower} {self.upper}')
+        else:
+            element.set("parameters", f'{self.mean_value} {self.std_dev}')
         self._append_bias_to_xml(element)
         return element
 
@@ -1152,7 +1228,10 @@ class Normal(Univariate):
         """
         params = get_elem_list(elem, "parameters", float)
         bias_dist = cls._read_bias_from_xml(elem)
-        return cls(*map(float, params), bias=bias_dist)
+        if len(params) == 4:
+            return cls(params[0], params[1], params[2], params[3], bias=bias_dist)
+        else:
+            return cls(params[0], params[1], bias=bias_dist)
 
 
 def muir(e0: float, m_rat: float, kt: float, bias: Univariate | None = None):
@@ -1184,7 +1263,7 @@ def muir(e0: float, m_rat: float, kt: float, bias: Univariate | None = None):
     """
     # https://permalink.lanl.gov/object/tr?what=info:lanl-repo/lareport/LA-05411-MS
     std_dev = sqrt(2 * e0 * kt / m_rat)
-    return Normal(e0, std_dev, bias)
+    return Normal(e0, std_dev, bias=bias)
 
 
 # Retain deprecated name for the time being
diff --git a/src/distribution.cpp b/src/distribution.cpp
index 756b098ed..c722d0366 100644
--- a/src/distribution.cpp
+++ b/src/distribution.cpp
@@ -363,30 +363,92 @@ double Watt::evaluate(double x) const
 //==============================================================================
 // Normal implementation
 //==============================================================================
+
+Normal::Normal(double mean_value, double std_dev, double lower, double upper)
+  : mean_value_ {mean_value}, std_dev_ {std_dev}, lower_ {lower}, upper_ {upper}
+{
+  compute_normalization();
+}
+
 Normal::Normal(pugi::xml_node node)
 {
   auto params = get_node_array<double>(node, "parameters");
-  if (params.size() != 2) {
+  if (params.size() != 2 && params.size() != 4) {
     openmc::fatal_error("Normal energy distribution must have two "
-                        "parameters specified.");
+                        "parameters (mean, std_dev) or four parameters "
+                        "(mean, std_dev, lower, upper) specified.");
   }
 
   mean_value_ = params.at(0);
   std_dev_ = params.at(1);
 
+  // Optional truncation bounds
+  if (params.size() == 4) {
+    lower_ = params.at(2);
+    upper_ = params.at(3);
+  } else {
+    lower_ = -INFTY;
+    upper_ = INFTY;
+  }
+
+  compute_normalization();
   read_bias_from_xml(node);
 }
 
+void Normal::compute_normalization()
+{
+  // Validate bounds
+  if (lower_ >= upper_) {
+    openmc::fatal_error(
+      "Normal distribution lower bound must be less than upper bound.");
+  }
+
+  // Check if truncation bounds are finite
+  is_truncated_ = (lower_ > -INFTY || upper_ < INFTY);
+
+  if (is_truncated_) {
+    double alpha = (lower_ - mean_value_) / std_dev_;
+    double beta = (upper_ - mean_value_) / std_dev_;
+    double cdf_diff = standard_normal_cdf(beta) - standard_normal_cdf(alpha);
+
+    if (cdf_diff <= 0.0) {
+      openmc::fatal_error(
+        "Normal distribution truncation bounds exclude entire distribution.");
+    }
+    norm_factor_ = 1.0 / cdf_diff;
+  } else {
+    norm_factor_ = 1.0;
+  }
+}
+
 double Normal::sample_unbiased(uint64_t* seed) const
 {
-  return normal_variate(mean_value_, std_dev_, seed);
+  if (!is_truncated_) {
+    return normal_variate(mean_value_, std_dev_, seed);
+  }
+
+  // Rejection sampling for truncated normal
+  double x;
+  do {
+    x = normal_variate(mean_value_, std_dev_, seed);
+  } while (x < lower_ || x > upper_);
+  return x;
 }
 
 double Normal::evaluate(double x) const
 {
-  return (1.0 / (std::sqrt(2.0 / PI) * std_dev_)) *
-         std::exp(-(std::pow((x - mean_value_), 2.0)) /
-                  (2.0 * std::pow(std_dev_, 2.0)));
+  // Return 0 outside truncation bounds
+  if (x < lower_ || x > upper_) {
+    return 0.0;
+  }
+
+  // Standard normal PDF value
+  double pdf = (1.0 / (std::sqrt(2.0 * PI) * std_dev_)) *
+               std::exp(-std::pow((x - mean_value_), 2.0) /
+                        (2.0 * std::pow(std_dev_, 2.0)));
+
+  // Apply normalization for truncation
+  return pdf * norm_factor_;
 }
 
 //==============================================================================
diff --git a/src/math_functions.cpp b/src/math_functions.cpp
index f45165414..81f08fa04 100644
--- a/src/math_functions.cpp
+++ b/src/math_functions.cpp
@@ -95,6 +95,13 @@ double t_percentile(double p, int df)
   return t;
 }
 
+double standard_normal_cdf(double z)
+{
+  // Use the complementary error function to compute the standard normal CDF
+  // Phi(z) = 0.5 * (1 + erf(z / sqrt(2))) = 0.5 * erfc(-z / sqrt(2))
+  return 0.5 * std::erfc(-z / std::sqrt(2.0));
+}
+
 void calc_pn_c(int n, double x, double pnx[])
 {
   pnx[0] = 1.;
diff --git a/tests/cpp_unit_tests/test_distribution.cpp b/tests/cpp_unit_tests/test_distribution.cpp
index f7c480c8d..e46088a63 100644
--- a/tests/cpp_unit_tests/test_distribution.cpp
+++ b/tests/cpp_unit_tests/test_distribution.cpp
@@ -92,3 +92,103 @@ TEST_CASE("Test construction of SpatialBox with parameters")
   REQUIRE(box.upper_right() == openmc::Position {30, 15, 5});
   REQUIRE_FALSE(box.only_fissionable());
 }
+
+TEST_CASE("Test Normal distribution")
+{
+  // Test untruncated normal distribution
+  openmc::Normal normal_unbounded(0.0, 1.0);
+
+  // Check PDF at mean (should be 1/sqrt(2*pi) ≈ 0.3989)
+  REQUIRE_THAT(
+    normal_unbounded.evaluate(0.0), Catch::Matchers::WithinRel(0.3989, 0.001));
+
+  // Check that it's not truncated
+  REQUIRE_FALSE(normal_unbounded.is_truncated());
+
+  // Check accessors
+  REQUIRE(normal_unbounded.mean_value() == 0.0);
+  REQUIRE(normal_unbounded.std_dev() == 1.0);
+  REQUIRE(normal_unbounded.lower() == -openmc::INFTY);
+  REQUIRE(normal_unbounded.upper() == openmc::INFTY);
+}
+
+TEST_CASE("Test truncated Normal distribution")
+{
+  // Create a truncated normal: mean=0, std=1, bounds=[-1, 1]
+  openmc::Normal normal_truncated(0.0, 1.0, -1.0, 1.0);
+
+  // Check that it's truncated
+  REQUIRE(normal_truncated.is_truncated());
+
+  // Check accessors
+  REQUIRE(normal_truncated.lower() == -1.0);
+  REQUIRE(normal_truncated.upper() == 1.0);
+
+  // PDF should be zero outside bounds
+  REQUIRE(normal_truncated.evaluate(-2.0) == 0.0);
+  REQUIRE(normal_truncated.evaluate(2.0) == 0.0);
+
+  // PDF inside bounds should be higher than untruncated (due to
+  // renormalization)
+  openmc::Normal normal_unbounded(0.0, 1.0);
+  REQUIRE(normal_truncated.evaluate(0.0) > normal_unbounded.evaluate(0.0));
+
+  // The truncated PDF at mean should be approximately 0.3989 / 0.6827 ≈ 0.584
+  // (0.6827 is the probability mass of N(0,1) in [-1,1])
+  REQUIRE_THAT(
+    normal_truncated.evaluate(0.0), Catch::Matchers::WithinRel(0.584, 0.01));
+}
+
+TEST_CASE("Test truncated Normal sampling")
+{
+  constexpr int n_samples = 10000;
+  openmc::Normal normal_truncated(0.0, 1.0, -1.0, 1.0);
+  uint64_t seed = openmc::init_seed(0, 0);
+
+  // Sample and verify all samples are within bounds
+  for (int i = 0; i < n_samples; ++i) {
+    auto [x, w] = normal_truncated.sample(&seed);
+    REQUIRE(x >= -1.0);
+    REQUIRE(x <= 1.0);
+    REQUIRE(w == 1.0); // Unbiased sampling should have weight 1
+  }
+}
+
+TEST_CASE("Test one-sided truncated Normal")
+{
+  // Test lower-bounded only (positive half-normal)
+  openmc::Normal lower_bounded(0.0, 1.0, 0.0, openmc::INFTY);
+  REQUIRE(lower_bounded.is_truncated());
+  REQUIRE(lower_bounded.evaluate(-1.0) == 0.0);
+  REQUIRE(lower_bounded.evaluate(1.0) > 0.0);
+
+  // PDF at 0 should be approximately 2 * 0.3989 ≈ 0.798 (half-normal)
+  REQUIRE_THAT(
+    lower_bounded.evaluate(0.0), Catch::Matchers::WithinRel(0.798, 0.01));
+
+  // Test upper-bounded only
+  openmc::Normal upper_bounded(0.0, 1.0, -openmc::INFTY, 0.0);
+  REQUIRE(upper_bounded.is_truncated());
+  REQUIRE(upper_bounded.evaluate(1.0) == 0.0);
+  REQUIRE(upper_bounded.evaluate(-1.0) > 0.0);
+}
+
+TEST_CASE("Test Normal XML constructor with truncation")
+{
+  // XML doc node for truncated Normal
+  pugi::xml_document doc;
+  pugi::xml_node energy = doc.append_child("energy");
+  energy.append_child("type")
+    .append_child(pugi::node_pcdata)
+    .set_value("normal");
+  energy.append_child("parameters")
+    .append_child(pugi::node_pcdata)
+    .set_value("1.0e6 1.0e5 0.8e6 1.2e6");
+
+  openmc::Normal dist(energy);
+  REQUIRE(dist.mean_value() == 1.0e6);
+  REQUIRE(dist.std_dev() == 1.0e5);
+  REQUIRE(dist.lower() == 0.8e6);
+  REQUIRE(dist.upper() == 1.2e6);
+  REQUIRE(dist.is_truncated());
+}
diff --git a/tests/unit_tests/test_stats.py b/tests/unit_tests/test_stats.py
index bdbdaa0f2..b9d9c4e1f 100644
--- a/tests/unit_tests/test_stats.py
+++ b/tests/unit_tests/test_stats.py
@@ -591,6 +591,92 @@ def test_normal():
     assert np.all(weights != 1.0)
 
 
+@pytest.mark.flaky(reruns=1)
+def test_normal_truncated():
+    mean = 10.0
+    std_dev = 2.0
+    lower = 6.0
+    upper = 14.0
+
+    d = openmc.stats.Normal(mean, std_dev, lower, upper)
+
+    # Check attributes
+    assert d.mean_value == pytest.approx(mean)
+    assert d.std_dev == pytest.approx(std_dev)
+    assert d.lower == pytest.approx(lower)
+    assert d.upper == pytest.approx(upper)
+    assert len(d) == 4
+    assert d.support == (lower, upper)
+
+    # Test XML round-trip
+    elem = d.to_xml_element('distribution')
+    assert elem.attrib['type'] == 'normal'
+    params = elem.attrib['parameters'].split()
+    assert len(params) == 4
+
+    d2 = openmc.stats.Normal.from_xml_element(elem)
+    assert d2.mean_value == pytest.approx(mean)
+    assert d2.std_dev == pytest.approx(std_dev)
+    assert d2.lower == pytest.approx(lower)
+    assert d2.upper == pytest.approx(upper)
+
+    # Test PDF evaluation
+    # PDF should be zero outside bounds
+    assert d.evaluate(lower - 1.0) == 0.0
+    assert d.evaluate(upper + 1.0) == 0.0
+
+    # PDF should be positive inside bounds
+    assert d.evaluate(mean) > 0.0
+
+    # PDF should be higher than untruncated at the mean (due to renormalization)
+    d_unbounded = openmc.stats.Normal(mean, std_dev)
+    assert d.evaluate(mean) > d_unbounded.evaluate(mean)
+
+    # Verify that PDF integrates to approximately 1
+    x = np.linspace(lower, upper, 1000)
+    integral = trapezoid(d.evaluate(x), x)
+    assert integral == pytest.approx(1.0, rel=0.01)
+
+    # Sample truncated distribution
+    n_samples = 10_000
+    samples, weights = d.sample(n_samples)
+
+    # All samples should be within bounds
+    assert np.all(samples >= lower)
+    assert np.all(samples <= upper)
+
+    # Weights should all be 1 (no biasing)
+    assert np.all(weights == 1.0)
+
+
+def test_normal_truncated_one_sided():
+    # Test lower-bounded only (positive half-normal centered at 0)
+    d_lower = openmc.stats.Normal(0.0, 1.0, lower=0.0)
+    assert d_lower.lower == 0.0
+    assert d_lower.upper == np.inf
+    assert d_lower.evaluate(-1.0) == 0.0
+    assert d_lower.evaluate(1.0) > 0.0
+
+    # PDF at 0 should be approximately 2 * 0.3989 ≈ 0.798 (half-normal)
+    assert d_lower.evaluate(0.0) == pytest.approx(0.798, rel=0.01)
+
+    # Test upper-bounded only
+    d_upper = openmc.stats.Normal(0.0, 1.0, upper=0.0)
+    assert d_upper.lower == -np.inf
+    assert d_upper.upper == 0.0
+    assert d_upper.evaluate(1.0) == 0.0
+    assert d_upper.evaluate(-1.0) > 0.0
+
+
+def test_normal_truncated_errors():
+    # Invalid bounds (lower >= upper)
+    with pytest.raises(ValueError):
+        openmc.stats.Normal(0.0, 1.0, lower=1.0, upper=0.0)
+
+    with pytest.raises(ValueError):
+        openmc.stats.Normal(0.0, 1.0, lower=1.0, upper=1.0)
+
+
 @pytest.mark.flaky(reruns=1)
 def test_muir():
     mean = 10.0

From 4e5deed0ccb9cfaa03941b8b396578d3d84224e3 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Fri, 13 Feb 2026 04:25:49 +0100
Subject: [PATCH 2523/2654] Using ```_LIBRARY``` and ```_SUBLIBRARY``` from
 endf package (#3804)

---
 openmc/data/endf.py | 28 +---------------------------
 1 file changed, 1 insertion(+), 27 deletions(-)

diff --git a/openmc/data/endf.py b/openmc/data/endf.py
index 1ac07a651..73ae210b6 100644
--- a/openmc/data/endf.py
+++ b/openmc/data/endf.py
@@ -12,6 +12,7 @@ import re
 
 from .data import gnds_name
 from .function import Tabulated1D
+from endf.material import _LIBRARY, _SUBLIBRARY
 from endf.incident_neutron import SUM_RULES
 from endf.records import (
     float_endf,
@@ -38,33 +39,6 @@ def get_tab1_record(file_obj):
     return params, Tabulated1D(tab.x, tab.y, tab.breakpoints, tab.interpolation)
 
 
-_LIBRARY = {0: 'ENDF/B', 1: 'ENDF/A', 2: 'JEFF', 3: 'EFF',
-            4: 'ENDF/B High Energy', 5: 'CENDL', 6: 'JENDL',
-            17: 'TENDL', 18: 'ROSFOND', 21: 'SG-21', 31: 'INDL/V',
-            32: 'INDL/A', 33: 'FENDL', 34: 'IRDF', 35: 'BROND',
-            36: 'INGDB-90', 37: 'FENDL/A', 41: 'BROND'}
-
-_SUBLIBRARY = {
-    0: 'Photo-nuclear data',
-    1: 'Photo-induced fission product yields',
-    3: 'Photo-atomic data',
-    4: 'Radioactive decay data',
-    5: 'Spontaneous fission product yields',
-    6: 'Atomic relaxation data',
-    10: 'Incident-neutron data',
-    11: 'Neutron-induced fission product yields',
-    12: 'Thermal neutron scattering data',
-    19: 'Neutron standards',
-    113: 'Electro-atomic data',
-    10010: 'Incident-proton data',
-    10011: 'Proton-induced fission product yields',
-    10020: 'Incident-deuteron data',
-    10030: 'Incident-triton data',
-    20030: 'Incident-helion (3He) data',
-    20040: 'Incident-alpha data'
-}
-
-
 def get_evaluations(filename):
     """Return a list of all evaluations within an ENDF file.
 

From b145fdd99994fd1a6e98b24bff20ee844ac4bb42 Mon Sep 17 00:00:00 2001
From: GuySten <62616591+GuySten@users.noreply.github.com>
Date: Fri, 13 Feb 2026 07:10:20 +0200
Subject: [PATCH 2524/2654] Improve radial crossing checks in SphericalMesh and
 CylindricalMesh (#3792)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 src/mesh.cpp | 18 ++++++++++--------
 1 file changed, 10 insertions(+), 8 deletions(-)

diff --git a/src/mesh.cpp b/src/mesh.cpp
index acd90033f..789113ccc 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -1893,18 +1893,19 @@ double CylindricalMesh::find_r_crossing(
   const double inv_denominator = 1.0 / denominator;
 
   const double p = (u.x * r.x + u.y * r.y) * inv_denominator;
-  double c = r.x * r.x + r.y * r.y - r0 * r0;
-  double D = p * p - c * inv_denominator;
+  double R = std::sqrt(r.x * r.x + r.y * r.y);
+  double D = p * p - (R - r0) * (R + r0) * inv_denominator;
 
   if (D < 0.0)
     return INFTY;
 
   D = std::sqrt(D);
 
-  // the solution -p - D is always smaller as -p + D : Check this one first
-  if (std::abs(c) <= RADIAL_MESH_TOL)
+  // Particle is already on the shell surface; avoid spurious crossing
+  if (std::abs(R - r0) <= RADIAL_MESH_TOL * (1.0 + std::abs(r0)))
     return INFTY;
 
+  // Check -p - D first because it is always smaller as -p + D
   if (-p - D > l)
     return -p - D;
   if (-p + D > l)
@@ -2178,15 +2179,16 @@ double SphericalMesh::find_r_crossing(
   if (r0 == 0.0)
     return INFTY;
   const double p = r.dot(u);
-  double c = r.dot(r) - r0 * r0;
-  double D = p * p - c;
+  double R = r.norm();
+  double D = p * p - (R - r0) * (R + r0);
 
-  if (std::abs(c) <= RADIAL_MESH_TOL)
+  // Particle is already on the shell surface; avoid spurious crossing
+  if (std::abs(R - r0) <= RADIAL_MESH_TOL * (1.0 + std::abs(r0)))
     return INFTY;
 
   if (D >= 0.0) {
     D = std::sqrt(D);
-    // the solution -p - D is always smaller as -p + D : Check this one first
+    // Check -p - D first because it is always smaller as -p + D
     if (-p - D > l)
       return -p - D;
     if (-p + D > l)

From bcb93952078b632f2d97238143c3e1b74b527e2d Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Thu, 12 Feb 2026 23:54:27 -0600
Subject: [PATCH 2525/2654] SolidRayTracePlot CAPI (#3789)

Co-authored-by: GuySten <62616591+GuySten@users.noreply.github.com>
---
 docs/source/capi/index.rst     | 273 ++++++++++++++
 docs/source/pythonapi/capi.rst |   7 +
 include/openmc/capi.h          |  44 +++
 include/openmc/plot.h          |  30 +-
 openmc/lib/plot.py             | 386 +++++++++++++++++++-
 src/plot.cpp                   | 636 ++++++++++++++++++++++++++++++++-
 tests/unit_tests/test_lib.py   |  54 +++
 7 files changed, 1402 insertions(+), 28 deletions(-)

diff --git a/docs/source/capi/index.rst b/docs/source/capi/index.rst
index 0a1962f77..1777e795a 100644
--- a/docs/source/capi/index.rst
+++ b/docs/source/capi/index.rst
@@ -580,6 +580,279 @@ Functions
    :return: Return status (negative if an error occurs)
    :rtype: int
 
+.. c:function:: int openmc_get_plot_index(int32_t id, int32_t* index)
+
+   Get the index in the plots array for a plot with a given ID.
+
+   :param int32_t id: Plot ID
+   :param int32_t* index: Index in the plots array
+   :return: Return status (negative if an error occurred)
+   :rtype: int
+
+.. c:function:: int openmc_plot_get_id(int32_t index, int32_t* id)
+
+   Get the ID of a plot.
+
+   :param int32_t index: Index in the plots array
+   :param int32_t* id: Plot ID
+   :return: Return status (negative if an error occurred)
+   :rtype: int
+
+.. c:function:: int openmc_plot_set_id(int32_t index, int32_t id)
+
+   Set the ID of a plot.
+
+   :param int32_t index: Index in the plots array
+   :param int32_t id: Plot ID
+   :return: Return status (negative if an error occurred)
+   :rtype: int
+
+.. c:function:: size_t openmc_plots_size()
+
+   Number of plots currently allocated.
+
+   :return: Number of plots in the plots array
+   :rtype: size_t
+
+.. c:function:: int openmc_solidraytrace_plot_create(int32_t* index)
+
+   Create a new solid raytrace plot.
+
+   :param int32_t* index: Index of the newly created plot
+   :return: Return status (negative if an error occurred)
+   :rtype: int
+
+.. c:function:: int openmc_solidraytrace_plot_get_pixels(int32_t index, int32_t* width, int32_t* height)
+
+   Get output pixel dimensions for a solid raytrace plot.
+
+   :param int32_t index: Index in the plots array
+   :param int32_t* width: Image width in pixels
+   :param int32_t* height: Image height in pixels
+   :return: Return status (negative if an error occurred)
+   :rtype: int
+
+.. c:function:: int openmc_solidraytrace_plot_set_pixels(int32_t index, int32_t width, int32_t height)
+
+   Set output pixel dimensions for a solid raytrace plot.
+
+   :param int32_t index: Index in the plots array
+   :param int32_t width: Image width in pixels
+   :param int32_t height: Image height in pixels
+   :return: Return status (negative if an error occurred)
+   :rtype: int
+
+.. c:function:: int openmc_solidraytrace_plot_get_color_by(int32_t index, int32_t* color_by)
+
+   Get the domain type used for coloring (0=materials, 1=cells).
+
+   :param int32_t index: Index in the plots array
+   :param int32_t* color_by: Coloring mode
+   :return: Return status (negative if an error occurred)
+   :rtype: int
+
+.. c:function:: int openmc_solidraytrace_plot_set_color_by(int32_t index, int32_t color_by)
+
+   Set the domain type used for coloring (0=materials, 1=cells).
+
+   :param int32_t index: Index in the plots array
+   :param int32_t color_by: Coloring mode
+   :return: Return status (negative if an error occurred)
+   :rtype: int
+
+.. c:function:: int openmc_solidraytrace_plot_set_default_colors(int32_t index)
+
+   Set default random colors for the current ``color_by`` mode.
+
+   :param int32_t index: Index in the plots array
+   :return: Return status (negative if an error occurred)
+   :rtype: int
+
+.. c:function:: int openmc_solidraytrace_plot_set_all_opaque(int32_t index)
+
+   Mark all domains in the current ``color_by`` mode as opaque.
+
+   :param int32_t index: Index in the plots array
+   :return: Return status (negative if an error occurred)
+   :rtype: int
+
+.. c:function:: int openmc_solidraytrace_plot_set_opaque(int32_t index, int32_t id, bool visible)
+
+   Set whether a specific domain ID is opaque (visible) in the rendered image.
+
+   :param int32_t index: Index in the plots array
+   :param int32_t id: Cell/material ID (based on ``color_by``)
+   :param bool visible: Whether the domain is opaque
+   :return: Return status (negative if an error occurred)
+   :rtype: int
+
+.. c:function:: int openmc_solidraytrace_plot_set_color(int32_t index, int32_t id, uint8_t r, uint8_t g, uint8_t b)
+
+   Set RGB color for a specific domain ID.
+
+   :param int32_t index: Index in the plots array
+   :param int32_t id: Cell/material ID (based on ``color_by``)
+   :param uint8_t r: Red channel
+   :param uint8_t g: Green channel
+   :param uint8_t b: Blue channel
+   :return: Return status (negative if an error occurred)
+   :rtype: int
+
+.. c:function:: int openmc_solidraytrace_plot_get_color(int32_t index, int32_t id, uint8_t* r, uint8_t* g, uint8_t* b)
+
+   Get RGB color for a specific domain ID.
+
+   :param int32_t index: Index in the plots array
+   :param int32_t id: Cell/material ID (based on ``color_by``)
+   :param uint8_t* r: Red channel
+   :param uint8_t* g: Green channel
+   :param uint8_t* b: Blue channel
+   :return: Return status (negative if an error occurred)
+   :rtype: int
+
+.. c:function:: int openmc_solidraytrace_plot_get_camera_position(int32_t index, double* x, double* y, double* z)
+
+   Get camera position.
+
+   :param int32_t index: Index in the plots array
+   :param double* x: X coordinate
+   :param double* y: Y coordinate
+   :param double* z: Z coordinate
+   :return: Return status (negative if an error occurred)
+   :rtype: int
+
+.. c:function:: int openmc_solidraytrace_plot_set_camera_position(int32_t index, double x, double y, double z)
+
+   Set camera position.
+
+   :param int32_t index: Index in the plots array
+   :param double x: X coordinate
+   :param double y: Y coordinate
+   :param double z: Z coordinate
+   :return: Return status (negative if an error occurred)
+   :rtype: int
+
+.. c:function:: int openmc_solidraytrace_plot_get_look_at(int32_t index, double* x, double* y, double* z)
+
+   Get camera target point.
+
+   :param int32_t index: Index in the plots array
+   :param double* x: X coordinate
+   :param double* y: Y coordinate
+   :param double* z: Z coordinate
+   :return: Return status (negative if an error occurred)
+   :rtype: int
+
+.. c:function:: int openmc_solidraytrace_plot_set_look_at(int32_t index, double x, double y, double z)
+
+   Set camera target point.
+
+   :param int32_t index: Index in the plots array
+   :param double x: X coordinate
+   :param double y: Y coordinate
+   :param double z: Z coordinate
+   :return: Return status (negative if an error occurred)
+   :rtype: int
+
+.. c:function:: int openmc_solidraytrace_plot_get_up(int32_t index, double* x, double* y, double* z)
+
+   Get the camera up vector.
+
+   :param int32_t index: Index in the plots array
+   :param double* x: X component
+   :param double* y: Y component
+   :param double* z: Z component
+   :return: Return status (negative if an error occurred)
+   :rtype: int
+
+.. c:function:: int openmc_solidraytrace_plot_set_up(int32_t index, double x, double y, double z)
+
+   Set the camera up vector.
+
+   :param int32_t index: Index in the plots array
+   :param double x: X component
+   :param double y: Y component
+   :param double z: Z component
+   :return: Return status (negative if an error occurred)
+   :rtype: int
+
+.. c:function:: int openmc_solidraytrace_plot_get_light_position(int32_t index, double* x, double* y, double* z)
+
+   Get light source position.
+
+   :param int32_t index: Index in the plots array
+   :param double* x: X coordinate
+   :param double* y: Y coordinate
+   :param double* z: Z coordinate
+   :return: Return status (negative if an error occurred)
+   :rtype: int
+
+.. c:function:: int openmc_solidraytrace_plot_set_light_position(int32_t index, double x, double y, double z)
+
+   Set light source position.
+
+   :param int32_t index: Index in the plots array
+   :param double x: X coordinate
+   :param double y: Y coordinate
+   :param double z: Z coordinate
+   :return: Return status (negative if an error occurred)
+   :rtype: int
+
+.. c:function:: int openmc_solidraytrace_plot_get_fov(int32_t index, double* fov)
+
+   Get horizontal field of view in degrees.
+
+   :param int32_t index: Index in the plots array
+   :param double* fov: Field of view in degrees
+   :return: Return status (negative if an error occurred)
+   :rtype: int
+
+.. c:function:: int openmc_solidraytrace_plot_set_fov(int32_t index, double fov)
+
+   Set horizontal field of view in degrees.
+
+   :param int32_t index: Index in the plots array
+   :param double fov: Field of view in degrees
+   :return: Return status (negative if an error occurred)
+   :rtype: int
+
+.. c:function:: int openmc_solidraytrace_plot_get_diffuse_fraction(int32_t index, double* diffuse_fraction)
+
+   Get diffuse-light fraction.
+
+   :param int32_t index: Index in the plots array
+   :param double* diffuse_fraction: Diffuse fraction in [0, 1]
+   :return: Return status (negative if an error occurred)
+   :rtype: int
+
+.. c:function:: int openmc_solidraytrace_plot_set_diffuse_fraction(int32_t index, double diffuse_fraction)
+
+   Set diffuse-light fraction.
+
+   :param int32_t index: Index in the plots array
+   :param double diffuse_fraction: Diffuse fraction in [0, 1]
+   :return: Return status (negative if an error occurred)
+   :rtype: int
+
+.. c:function:: int openmc_solidraytrace_plot_update_view(int32_t index)
+
+   Recompute internal camera/view transforms after camera changes.
+
+   :param int32_t index: Index in the plots array
+   :return: Return status (negative if an error occurred)
+   :rtype: int
+
+.. c:function:: int openmc_solidraytrace_plot_create_image(int32_t index, uint8_t* data_out, int32_t width, int32_t height)
+
+   Render the plot to an RGB image buffer.
+
+   :param int32_t index: Index in the plots array
+   :param uint8_t* data_out: Output buffer of shape ``height*width*3``
+   :param int32_t width: Image width in pixels
+   :param int32_t height: Image height in pixels
+   :return: Return status (negative if an error occurred)
+   :rtype: int
+
 .. c:function:: int openmc_reset()
 
    Resets all tally scores
diff --git a/docs/source/pythonapi/capi.rst b/docs/source/pythonapi/capi.rst
index 6f18db56f..465df14d8 100644
--- a/docs/source/pythonapi/capi.rst
+++ b/docs/source/pythonapi/capi.rst
@@ -88,6 +88,7 @@ Classes
    SpatialLegendreFilter
    SphericalHarmonicsFilter
    SphericalMesh
+   SolidRayTracePlot
    SurfaceFilter
    Tally
    TemporarySession
@@ -125,6 +126,12 @@ Data
 
    :type: dict
 
+.. data:: plots
+
+   Mapping of plot ID to :class:`openmc.lib.SolidRayTracePlot` instances.
+
+   :type: dict
+
 .. data:: nuclides
 
    Mapping of nuclide name to :class:`openmc.lib.Nuclide` instances.
diff --git a/include/openmc/capi.h b/include/openmc/capi.h
index 533ebb65a..911654d31 100644
--- a/include/openmc/capi.h
+++ b/include/openmc/capi.h
@@ -125,6 +125,49 @@ int openmc_nuclide_name(int index, const char** name);
 int openmc_plot_geometry();
 int openmc_id_map(const void* slice, int32_t* data_out);
 int openmc_property_map(const void* slice, double* data_out);
+int openmc_get_plot_index(int32_t id, int32_t* index);
+int openmc_plot_get_id(int32_t index, int32_t* id);
+int openmc_plot_set_id(int32_t index, int32_t id);
+int openmc_solidraytrace_plot_create(int32_t* index);
+int openmc_solidraytrace_plot_get_pixels(
+  int32_t index, int32_t* width, int32_t* height);
+int openmc_solidraytrace_plot_set_pixels(
+  int32_t index, int32_t width, int32_t height);
+int openmc_solidraytrace_plot_get_color_by(int32_t index, int32_t* color_by);
+int openmc_solidraytrace_plot_set_color_by(int32_t index, int32_t color_by);
+int openmc_solidraytrace_plot_set_default_colors(int32_t index);
+int openmc_solidraytrace_plot_set_all_opaque(int32_t index);
+int openmc_solidraytrace_plot_set_opaque(
+  int32_t index, int32_t id, bool visible);
+int openmc_solidraytrace_plot_set_color(
+  int32_t index, int32_t id, uint8_t r, uint8_t g, uint8_t b);
+int openmc_solidraytrace_plot_get_camera_position(
+  int32_t index, double* x, double* y, double* z);
+int openmc_solidraytrace_plot_set_camera_position(
+  int32_t index, double x, double y, double z);
+int openmc_solidraytrace_plot_get_look_at(
+  int32_t index, double* x, double* y, double* z);
+int openmc_solidraytrace_plot_set_look_at(
+  int32_t index, double x, double y, double z);
+int openmc_solidraytrace_plot_get_up(
+  int32_t index, double* x, double* y, double* z);
+int openmc_solidraytrace_plot_set_up(
+  int32_t index, double x, double y, double z);
+int openmc_solidraytrace_plot_get_light_position(
+  int32_t index, double* x, double* y, double* z);
+int openmc_solidraytrace_plot_set_light_position(
+  int32_t index, double x, double y, double z);
+int openmc_solidraytrace_plot_get_fov(int32_t index, double* fov);
+int openmc_solidraytrace_plot_set_fov(int32_t index, double fov);
+int openmc_solidraytrace_plot_update_view(int32_t index);
+int openmc_solidraytrace_plot_create_image(
+  int32_t index, uint8_t* data_out, int32_t width, int32_t height);
+int openmc_solidraytrace_plot_get_color(
+  int32_t index, int32_t id, uint8_t* r, uint8_t* g, uint8_t* b);
+int openmc_solidraytrace_plot_get_diffuse_fraction(
+  int32_t index, double* diffuse_fraction);
+int openmc_solidraytrace_plot_set_diffuse_fraction(
+  int32_t index, double diffuse_fraction);
 int openmc_rectilinear_mesh_get_grid(int32_t index, double** grid_x, int* nx,
   double** grid_y, int* ny, double** grid_z, int* nz);
 int openmc_rectilinear_mesh_set_grid(int32_t index, const double* grid_x,
@@ -219,6 +262,7 @@ int openmc_weight_windows_set_weight_cutoff(int32_t index, double cutoff);
 int openmc_weight_windows_get_max_split(int32_t index, int* max_split);
 int openmc_weight_windows_set_max_split(int32_t index, int max_split);
 size_t openmc_weight_windows_size();
+size_t openmc_plots_size();
 int openmc_weight_windows_export(const char* filename = nullptr);
 int openmc_weight_windows_import(const char* filename = nullptr);
 int openmc_zernike_filter_get_order(int32_t index, int* order);
diff --git a/include/openmc/plot.h b/include/openmc/plot.h
index 02ff2848d..3813101c6 100644
--- a/include/openmc/plot.h
+++ b/include/openmc/plot.h
@@ -83,10 +83,11 @@ const RGBColor BLACK {0, 0, 0};
  * \class PlottableInterface
  * \brief Interface for plottable objects.
  *
- * PlottableInterface classes must have a unique ID in the plots.xml file.
- * They guarantee the ability to create output in some form. This interface
- * is designed to be implemented by classes that produce plot-relevant data
- * which can be visualized.
+ * PlottableInterface classes must have unique IDs. If no ID (or -1) is
+ * provided, the next available ID is assigned automatically. They guarantee
+ * the ability to create output in some form. This interface is designed to be
+ * implemented by classes that produce plot-relevant data which can be
+ * visualized.
  */
 
 typedef xt::xtensor<RGBColor, 2> ImageData;
@@ -98,7 +99,7 @@ public:
 
 private:
   void set_id(pugi::xml_node plot_node);
-  int id_; // unique plot ID
+  int id_ {C_NONE}; // unique plot ID
 
   void set_bg_color(pugi::xml_node plot_node);
   void set_universe(pugi::xml_node plot_node);
@@ -129,18 +130,19 @@ public:
   const std::string& path_plot() const { return path_plot_; }
   std::string& path_plot() { return path_plot_; }
   int id() const { return id_; }
+  void set_id(int id = C_NONE);
   int level() const { return level_; }
   PlotColorBy color_by() const { return color_by_; }
 
   // Public color-related data
   PlottableInterface(pugi::xml_node plot_node);
   virtual ~PlottableInterface() = default;
-  int level_ {-1};               // Universe level to plot
-  bool color_overlaps_ {false};  // Show overlapping cells?
-  PlotColorBy color_by_;         // Plot coloring (cell/material)
-  RGBColor not_found_ {WHITE};   // Plot background color
-  RGBColor overlap_color_ {RED}; // Plot overlap color
-  vector<RGBColor> colors_;      // Plot colors
+  int level_ {-1};                           // Universe level to plot
+  bool color_overlaps_ {false};              // Show overlapping cells?
+  PlotColorBy color_by_ {PlotColorBy::mats}; // Plot coloring (cell/material)
+  RGBColor not_found_ {WHITE};               // Plot background color
+  RGBColor overlap_color_ {RED};             // Plot overlap color
+  vector<RGBColor> colors_;                  // Plot colors
 };
 
 struct IdData {
@@ -371,9 +373,9 @@ private:
 
   double horizontal_field_of_view_ {70.0}; // horiz. f.o.v. in degrees
   Position camera_position_;               // where camera is
-  Position look_at_;             // point camera is centered looking at
-  std::array<int, 2> pixels_;    // pixel dimension of resulting image
-  Direction up_ {0.0, 0.0, 1.0}; // which way is up
+  Position look_at_;                     // point camera is centered looking at
+  std::array<int, 2> pixels_ {100, 100}; // pixel dimension of resulting image
+  Direction up_ {0.0, 0.0, 1.0};         // which way is up
 
   /* The horizontal thickness, if using an orthographic projection.
    * If set to zero, we assume using a perspective projection.
diff --git a/openmc/lib/plot.py b/openmc/lib/plot.py
index 68f61821c..90af80d5b 100644
--- a/openmc/lib/plot.py
+++ b/openmc/lib/plot.py
@@ -1,7 +1,11 @@
+from collections.abc import Mapping
 from ctypes import (c_bool, c_int, c_size_t, c_int32,
-                    c_double, Structure, POINTER)
+                    c_double, c_uint8, Structure, POINTER)
+from weakref import WeakValueDictionary
 
+from ..exceptions import AllocationError, InvalidIDError
 from . import _dll
+from .core import _FortranObjectWithID
 from .error import _error_handler
 
 import numpy as np
@@ -258,3 +262,383 @@ def property_map(plot):
     prop_data = np.zeros((plot.v_res, plot.h_res, 2))
     _dll.openmc_property_map(plot, prop_data.ctypes.data_as(POINTER(c_double)))
     return prop_data
+
+_dll.openmc_get_plot_index.argtypes = [c_int32, POINTER(c_int32)]
+_dll.openmc_get_plot_index.restype = c_int
+_dll.openmc_get_plot_index.errcheck = _error_handler
+
+_dll.openmc_plot_get_id.argtypes = [c_int32, POINTER(c_int32)]
+_dll.openmc_plot_get_id.restype = c_int
+_dll.openmc_plot_get_id.errcheck = _error_handler
+
+_dll.openmc_plot_set_id.argtypes = [c_int32, c_int32]
+_dll.openmc_plot_set_id.restype = c_int
+_dll.openmc_plot_set_id.errcheck = _error_handler
+
+_dll.openmc_plots_size.restype = c_size_t
+
+_dll.openmc_solidraytrace_plot_create.argtypes = [POINTER(c_int32)]
+_dll.openmc_solidraytrace_plot_create.restype = c_int
+_dll.openmc_solidraytrace_plot_create.errcheck = _error_handler
+
+_dll.openmc_solidraytrace_plot_get_pixels.argtypes = [
+    c_int32, POINTER(c_int32), POINTER(c_int32)]
+_dll.openmc_solidraytrace_plot_get_pixels.restype = c_int
+_dll.openmc_solidraytrace_plot_get_pixels.errcheck = _error_handler
+
+_dll.openmc_solidraytrace_plot_set_pixels.argtypes = [c_int32, c_int32, c_int32]
+_dll.openmc_solidraytrace_plot_set_pixels.restype = c_int
+_dll.openmc_solidraytrace_plot_set_pixels.errcheck = _error_handler
+
+_dll.openmc_solidraytrace_plot_get_color_by.argtypes = [c_int32, POINTER(c_int32)]
+_dll.openmc_solidraytrace_plot_get_color_by.restype = c_int
+_dll.openmc_solidraytrace_plot_get_color_by.errcheck = _error_handler
+
+_dll.openmc_solidraytrace_plot_set_color_by.argtypes = [c_int32, c_int32]
+_dll.openmc_solidraytrace_plot_set_color_by.restype = c_int
+_dll.openmc_solidraytrace_plot_set_color_by.errcheck = _error_handler
+
+_dll.openmc_solidraytrace_plot_set_default_colors.argtypes = [c_int32]
+_dll.openmc_solidraytrace_plot_set_default_colors.restype = c_int
+_dll.openmc_solidraytrace_plot_set_default_colors.errcheck = _error_handler
+
+_dll.openmc_solidraytrace_plot_set_all_opaque.argtypes = [c_int32]
+_dll.openmc_solidraytrace_plot_set_all_opaque.restype = c_int
+_dll.openmc_solidraytrace_plot_set_all_opaque.errcheck = _error_handler
+
+_dll.openmc_solidraytrace_plot_set_opaque.argtypes = [c_int32, c_int32, c_bool]
+_dll.openmc_solidraytrace_plot_set_opaque.restype = c_int
+_dll.openmc_solidraytrace_plot_set_opaque.errcheck = _error_handler
+
+_dll.openmc_solidraytrace_plot_set_color.argtypes = [c_int32, c_int32, c_uint8, c_uint8, c_uint8]
+_dll.openmc_solidraytrace_plot_set_color.restype = c_int
+_dll.openmc_solidraytrace_plot_set_color.errcheck = _error_handler
+
+_dll.openmc_solidraytrace_plot_get_camera_position.argtypes = [
+    c_int32, POINTER(c_double), POINTER(c_double), POINTER(c_double)]
+_dll.openmc_solidraytrace_plot_get_camera_position.restype = c_int
+_dll.openmc_solidraytrace_plot_get_camera_position.errcheck = _error_handler
+
+_dll.openmc_solidraytrace_plot_set_camera_position.argtypes = [c_int32, c_double, c_double, c_double]
+_dll.openmc_solidraytrace_plot_set_camera_position.restype = c_int
+_dll.openmc_solidraytrace_plot_set_camera_position.errcheck = _error_handler
+
+_dll.openmc_solidraytrace_plot_get_look_at.argtypes = [
+    c_int32, POINTER(c_double), POINTER(c_double), POINTER(c_double)]
+_dll.openmc_solidraytrace_plot_get_look_at.restype = c_int
+_dll.openmc_solidraytrace_plot_get_look_at.errcheck = _error_handler
+
+_dll.openmc_solidraytrace_plot_set_look_at.argtypes = [c_int32, c_double, c_double, c_double]
+_dll.openmc_solidraytrace_plot_set_look_at.restype = c_int
+_dll.openmc_solidraytrace_plot_set_look_at.errcheck = _error_handler
+
+_dll.openmc_solidraytrace_plot_get_up.argtypes = [
+    c_int32, POINTER(c_double), POINTER(c_double), POINTER(c_double)]
+_dll.openmc_solidraytrace_plot_get_up.restype = c_int
+_dll.openmc_solidraytrace_plot_get_up.errcheck = _error_handler
+
+_dll.openmc_solidraytrace_plot_set_up.argtypes = [c_int32, c_double, c_double, c_double]
+_dll.openmc_solidraytrace_plot_set_up.restype = c_int
+_dll.openmc_solidraytrace_plot_set_up.errcheck = _error_handler
+
+_dll.openmc_solidraytrace_plot_get_light_position.argtypes = [
+    c_int32, POINTER(c_double), POINTER(c_double), POINTER(c_double)]
+_dll.openmc_solidraytrace_plot_get_light_position.restype = c_int
+_dll.openmc_solidraytrace_plot_get_light_position.errcheck = _error_handler
+
+_dll.openmc_solidraytrace_plot_set_light_position.argtypes = [c_int32, c_double, c_double, c_double]
+_dll.openmc_solidraytrace_plot_set_light_position.restype = c_int
+_dll.openmc_solidraytrace_plot_set_light_position.errcheck = _error_handler
+
+_dll.openmc_solidraytrace_plot_get_fov.argtypes = [c_int32, POINTER(c_double)]
+_dll.openmc_solidraytrace_plot_get_fov.restype = c_int
+_dll.openmc_solidraytrace_plot_get_fov.errcheck = _error_handler
+
+_dll.openmc_solidraytrace_plot_set_fov.argtypes = [c_int32, c_double]
+_dll.openmc_solidraytrace_plot_set_fov.restype = c_int
+_dll.openmc_solidraytrace_plot_set_fov.errcheck = _error_handler
+
+_dll.openmc_solidraytrace_plot_update_view.argtypes = [c_int32]
+_dll.openmc_solidraytrace_plot_update_view.restype = c_int
+_dll.openmc_solidraytrace_plot_update_view.errcheck = _error_handler
+
+_dll.openmc_solidraytrace_plot_create_image.argtypes = [c_int32, POINTER(c_uint8), c_int32, c_int32]
+_dll.openmc_solidraytrace_plot_create_image.restype = c_int
+_dll.openmc_solidraytrace_plot_create_image.errcheck = _error_handler
+
+_dll.openmc_solidraytrace_plot_get_color.argtypes = [c_int32, c_int32,
+                                             POINTER(c_uint8), POINTER(c_uint8), POINTER(c_uint8)]
+_dll.openmc_solidraytrace_plot_get_color.restype = c_int
+_dll.openmc_solidraytrace_plot_get_color.errcheck = _error_handler
+
+_dll.openmc_solidraytrace_plot_get_diffuse_fraction.argtypes = [
+    c_int32, POINTER(c_double)]
+_dll.openmc_solidraytrace_plot_get_diffuse_fraction.restype = c_int
+_dll.openmc_solidraytrace_plot_get_diffuse_fraction.errcheck = _error_handler
+
+_dll.openmc_solidraytrace_plot_set_diffuse_fraction.argtypes = [c_int32, c_double]
+_dll.openmc_solidraytrace_plot_set_diffuse_fraction.restype = c_int
+_dll.openmc_solidraytrace_plot_set_diffuse_fraction.errcheck = _error_handler
+
+
+class SolidRayTracePlot(_FortranObjectWithID):
+    """Solid ray-traced plot stored internally.
+
+    This class exposes a solid ray-traced plot that is stored internally in
+    the OpenMC library. To obtain a view of an existing plot with a given ID,
+    use the :data:`openmc.lib.plots` mapping.
+
+    Parameters
+    ----------
+    uid : int or None
+        Unique ID of the plot
+    new : bool
+        When `index` is None, this argument controls whether a new object is
+        created or a view of an existing object is returned.
+    index : int or None
+        Index in the internal plots array.
+
+    Attributes
+    ----------
+    id : int
+        Unique ID of the plot.
+    pixels : tuple of int
+        Plot image dimensions as ``(width, height)``.
+    color_by : int
+        Coloring mode. Use :attr:`COLOR_BY_MATERIAL` or
+        :attr:`COLOR_BY_CELL`.
+    camera_position : tuple of float
+        Camera position as ``(x, y, z)``.
+    look_at : tuple of float
+        Point the camera is aimed at as ``(x, y, z)``.
+    up : tuple of float
+        Up direction as ``(x, y, z)``.
+    light_position : tuple of float
+        Position of the light source as ``(x, y, z)``.
+    fov : float
+        Horizontal field-of-view angle in degrees.
+    diffuse_fraction : float
+        Fraction of reflected light treated as diffuse (0 to 1).
+    """
+
+    COLOR_BY_MATERIAL = 0
+    COLOR_BY_CELL = 1
+    __instances = WeakValueDictionary()
+
+    def __new__(cls, uid=None, new=True, index=None):
+        mapping = plots
+        if index is None:
+            if new:
+                if uid is not None and uid in mapping:
+                    raise AllocationError(
+                        f'A plot with ID={uid} has already been allocated.'
+                    )
+                index = c_int32()
+                _dll.openmc_solidraytrace_plot_create(index)
+                index = index.value
+            else:
+                index = mapping[uid]._index
+
+        if index not in cls.__instances:
+            instance = super().__new__(cls)
+            instance._index = index
+            if uid is not None:
+                instance.id = uid
+            cls.__instances[index] = instance
+
+        return cls.__instances[index]
+
+    def __init__(self, uid=None, new=True, index=None):
+        super().__init__(uid, new, index)
+
+    @property
+    def id(self):
+        plot_id = c_int32()
+        _dll.openmc_plot_get_id(self._index, plot_id)
+        return plot_id.value
+
+    @id.setter
+    def id(self, plot_id):
+        _dll.openmc_plot_set_id(self._index, plot_id)
+
+    @staticmethod
+    def _get_xyz(getter, index):
+        x = c_double()
+        y = c_double()
+        z = c_double()
+        getter(index, x, y, z)
+        return (x.value, y.value, z.value)
+
+    @staticmethod
+    def _set_xyz(setter, index, xyz):
+        x, y, z = xyz
+        setter(index, float(x), float(y), float(z))
+
+    @property
+    def pixels(self):
+        width = c_int32()
+        height = c_int32()
+        _dll.openmc_solidraytrace_plot_get_pixels(self._index, width, height)
+        return (width.value, height.value)
+
+    @pixels.setter
+    def pixels(self, pixels):
+        width, height = pixels
+        _dll.openmc_solidraytrace_plot_set_pixels(
+            self._index, int(width), int(height))
+
+    @property
+    def color_by(self):
+        color_by = c_int32()
+        _dll.openmc_solidraytrace_plot_get_color_by(self._index, color_by)
+        return color_by.value
+
+    @color_by.setter
+    def color_by(self, color_by):
+        _dll.openmc_solidraytrace_plot_set_color_by(self._index, int(color_by))
+
+    def set_default_colors(self):
+        _dll.openmc_solidraytrace_plot_set_default_colors(self._index)
+
+    def set_all_opaque(self):
+        _dll.openmc_solidraytrace_plot_set_all_opaque(self._index)
+
+    def set_visibility(self, domain_id, visible):
+        _dll.openmc_solidraytrace_plot_set_opaque(
+            self._index, int(domain_id), bool(visible)
+        )
+
+    def set_color(self, domain_id, color):
+        r, g, b = [int(c) for c in color]
+        _dll.openmc_solidraytrace_plot_set_color(
+            self._index, int(domain_id), r, g, b)
+
+    @property
+    def camera_position(self):
+        return self._get_xyz(_dll.openmc_solidraytrace_plot_get_camera_position,
+                             self._index)
+
+    @camera_position.setter
+    def camera_position(self, position):
+        self._set_xyz(_dll.openmc_solidraytrace_plot_set_camera_position,
+                      self._index, position)
+
+    @property
+    def look_at(self):
+        return self._get_xyz(_dll.openmc_solidraytrace_plot_get_look_at,
+                             self._index)
+
+    @look_at.setter
+    def look_at(self, position):
+        self._set_xyz(_dll.openmc_solidraytrace_plot_set_look_at,
+                      self._index, position)
+
+    @property
+    def up(self):
+        return self._get_xyz(_dll.openmc_solidraytrace_plot_get_up, self._index)
+
+    @up.setter
+    def up(self, direction):
+        self._set_xyz(_dll.openmc_solidraytrace_plot_set_up, self._index,
+                      direction)
+
+    @property
+    def light_position(self):
+        return self._get_xyz(_dll.openmc_solidraytrace_plot_get_light_position,
+                             self._index)
+
+    @light_position.setter
+    def light_position(self, position):
+        self._set_xyz(_dll.openmc_solidraytrace_plot_set_light_position,
+                      self._index, position)
+
+    @property
+    def fov(self):
+        fov = c_double()
+        _dll.openmc_solidraytrace_plot_get_fov(self._index, fov)
+        return fov.value
+
+    @fov.setter
+    def fov(self, fov):
+        _dll.openmc_solidraytrace_plot_set_fov(self._index, float(fov))
+
+    def update_view(self):
+        _dll.openmc_solidraytrace_plot_update_view(self._index)
+
+    def create_image(self):
+        width, height = self.pixels
+        image = np.zeros((height, width, 3), dtype=np.uint8)
+        _dll.openmc_solidraytrace_plot_create_image(
+            self._index,
+            image.ctypes.data_as(POINTER(c_uint8)),
+            width,
+            height
+        )
+        return image
+
+    def get_color(self, domain_id):
+        r = c_uint8()
+        g = c_uint8()
+        b = c_uint8()
+        _dll.openmc_solidraytrace_plot_get_color(
+            self._index, int(domain_id), r, g, b)
+        return int(r.value), int(g.value), int(b.value)
+
+    @property
+    def diffuse_fraction(self):
+        value = c_double()
+        _dll.openmc_solidraytrace_plot_get_diffuse_fraction(self._index, value)
+        return value.value
+
+    @diffuse_fraction.setter
+    def diffuse_fraction(self, value):
+        _dll.openmc_solidraytrace_plot_set_diffuse_fraction(
+            self._index, float(value))
+
+    # Backward-compatible setter aliases
+    def set_pixels(self, width, height):
+        self.pixels = (width, height)
+
+    def set_color_by(self, color_by):
+        self.color_by = color_by
+
+    def set_camera_position(self, x, y, z):
+        self.camera_position = (x, y, z)
+
+    def set_look_at(self, x, y, z):
+        self.look_at = (x, y, z)
+
+    def set_up(self, x, y, z):
+        self.up = (x, y, z)
+
+    def set_light_position(self, x, y, z):
+        self.light_position = (x, y, z)
+
+    def set_fov(self, fov):
+        self.fov = fov
+
+    def set_diffuse_fraction(self, value):
+        self.diffuse_fraction = value
+
+
+class _PlotMapping(Mapping):
+    def __getitem__(self, key):
+        index = c_int32()
+        try:
+            _dll.openmc_get_plot_index(key, index)
+        except (AllocationError, InvalidIDError) as e:
+            raise KeyError(str(e))
+        return SolidRayTracePlot(index=index.value)
+
+    def __iter__(self):
+        for i in range(len(self)):
+            yield SolidRayTracePlot(index=i).id
+
+    def __len__(self):
+        return _dll.openmc_plots_size()
+
+    def __repr__(self):
+        return repr(dict(self))
+
+
+plots = _PlotMapping()
diff --git a/src/plot.cpp b/src/plot.cpp
index daeb0bde7..e3b1e84c8 100644
--- a/src/plot.cpp
+++ b/src/plot.cpp
@@ -211,8 +211,11 @@ void read_plots_xml()
 void read_plots_xml(pugi::xml_node root)
 {
   for (auto node : root.children("plot")) {
-    std::string id_string = get_node_value(node, "id", true);
-    int id = std::stoi(id_string);
+    std::string plot_desc = "<auto>";
+    if (check_for_node(node, "id")) {
+      plot_desc = get_node_value(node, "id", true);
+    }
+
     if (check_for_node(node, "type")) {
       std::string type_str = get_node_value(node, "type", true);
       if (type_str == "slice") {
@@ -227,12 +230,12 @@ void read_plots_xml(pugi::xml_node root)
       } else if (type_str == "solid_raytrace") {
         model::plots.emplace_back(std::make_unique<SolidRayTracePlot>(node));
       } else {
-        fatal_error(
-          fmt::format("Unsupported plot type '{}' in plot {}", type_str, id));
+        fatal_error(fmt::format(
+          "Unsupported plot type '{}' in plot {}", type_str, plot_desc));
       }
       model::plot_map[model::plots.back()->id()] = model::plots.size() - 1;
     } else {
-      fatal_error(fmt::format("Must specify plot type in plot {}", id));
+      fatal_error(fmt::format("Must specify plot type in plot {}", plot_desc));
     }
   }
 }
@@ -290,20 +293,43 @@ ImageData Plot::create_image() const
 
 void PlottableInterface::set_id(pugi::xml_node plot_node)
 {
-  // Copy data into plots
+  int id {C_NONE};
   if (check_for_node(plot_node, "id")) {
-    id_ = std::stoi(get_node_value(plot_node, "id"));
-  } else {
-    fatal_error("Must specify plot id in plots XML file.");
+    id = std::stoi(get_node_value(plot_node, "id"));
   }
 
-  // Check to make sure 'id' hasn't been used
-  if (model::plot_map.find(id_) != model::plot_map.end()) {
-    fatal_error(
-      fmt::format("Two or more plots use the same unique ID: {}", id_));
+  try {
+    set_id(id);
+  } catch (const std::runtime_error& e) {
+    fatal_error(e.what());
   }
 }
 
+void PlottableInterface::set_id(int id)
+{
+  if (id < 0 && id != C_NONE) {
+    throw std::runtime_error {fmt::format("Invalid plot ID: {}", id)};
+  }
+
+  if (id == C_NONE) {
+    id = 1;
+    for (const auto& p : model::plots) {
+      id = std::max(id, p->id() + 1);
+    }
+  }
+
+  if (id_ == id)
+    return;
+
+  // Check to make sure this ID doesn't already exist
+  if (model::plot_map.find(id) != model::plot_map.end()) {
+    throw std::runtime_error {
+      fmt::format("Two or more plots use the same unique ID: {}", id)};
+  }
+
+  id_ = id;
+}
+
 // Checks if png or ppm is already present
 bool file_extension_present(
   const std::string& filename, const std::string& extension)
@@ -1927,4 +1953,588 @@ extern "C" int openmc_property_map(const void* plot, double* data_out)
   return 0;
 }
 
+extern "C" int openmc_get_plot_index(int32_t id, int32_t* index)
+{
+  auto it = model::plot_map.find(id);
+  if (it == model::plot_map.end()) {
+    set_errmsg("No plot exists with ID=" + std::to_string(id) + ".");
+    return OPENMC_E_INVALID_ID;
+  }
+
+  *index = it->second;
+  return 0;
+}
+
+extern "C" int openmc_plot_get_id(int32_t index, int32_t* id)
+{
+  if (index < 0 || index >= model::plots.size()) {
+    set_errmsg("Index in plots array is out of bounds.");
+    return OPENMC_E_OUT_OF_BOUNDS;
+  }
+
+  *id = model::plots[index]->id();
+  return 0;
+}
+
+extern "C" int openmc_plot_set_id(int32_t index, int32_t id)
+{
+  if (index < 0 || index >= model::plots.size()) {
+    set_errmsg("Index in plots array is out of bounds.");
+    return OPENMC_E_OUT_OF_BOUNDS;
+  }
+
+  if (id < 0 && id != C_NONE) {
+    set_errmsg("Invalid plot ID.");
+    return OPENMC_E_INVALID_ARGUMENT;
+  }
+
+  auto* plot = model::plots[index].get();
+  int32_t old_id = plot->id();
+  if (id == old_id)
+    return 0;
+
+  model::plot_map.erase(old_id);
+  try {
+    plot->set_id(id);
+  } catch (const std::runtime_error& e) {
+    model::plot_map[old_id] = index;
+    set_errmsg(e.what());
+    return OPENMC_E_INVALID_ID;
+  }
+  model::plot_map[plot->id()] = index;
+  return 0;
+}
+
+extern "C" size_t openmc_plots_size()
+{
+  return model::plots.size();
+}
+
+int map_phong_domain_id(
+  const SolidRayTracePlot* plot, int32_t id, int32_t* index_out)
+{
+  if (!plot || !index_out) {
+    set_errmsg("Invalid plot pointer passed to map_phong_domain_id");
+    return OPENMC_E_INVALID_ARGUMENT;
+  }
+
+  if (plot->color_by_ == PlottableInterface::PlotColorBy::mats) {
+    auto it = model::material_map.find(id);
+    if (it == model::material_map.end()) {
+      set_errmsg("Invalid material ID for SolidRayTracePlot");
+      return OPENMC_E_INVALID_ID;
+    }
+    *index_out = it->second;
+    return 0;
+  }
+
+  if (plot->color_by_ == PlottableInterface::PlotColorBy::cells) {
+    auto it = model::cell_map.find(id);
+    if (it == model::cell_map.end()) {
+      set_errmsg("Invalid cell ID for SolidRayTracePlot");
+      return OPENMC_E_INVALID_ID;
+    }
+    *index_out = it->second;
+    return 0;
+  }
+
+  set_errmsg("Unsupported color_by for SolidRayTracePlot");
+  return OPENMC_E_INVALID_TYPE;
+}
+
+int get_solidraytrace_plot_by_index(int32_t index, SolidRayTracePlot** plot)
+{
+  if (!plot) {
+    set_errmsg("Null output pointer passed to get_solidraytrace_plot_by_index");
+    return OPENMC_E_INVALID_ARGUMENT;
+  }
+
+  if (index < 0 || index >= model::plots.size()) {
+    set_errmsg("Index in plots array is out of bounds.");
+    return OPENMC_E_OUT_OF_BOUNDS;
+  }
+
+  auto* plottable = model::plots[index].get();
+  auto* solid_plot = dynamic_cast<SolidRayTracePlot*>(plottable);
+  if (!solid_plot) {
+    set_errmsg("Plot at index=" + std::to_string(index) +
+               " is not a solid raytrace plot.");
+    return OPENMC_E_INVALID_TYPE;
+  }
+
+  *plot = solid_plot;
+  return 0;
+}
+
+extern "C" int openmc_solidraytrace_plot_create(int32_t* index)
+{
+  if (!index) {
+    set_errmsg(
+      "Null output pointer passed to openmc_solidraytrace_plot_create");
+    return OPENMC_E_INVALID_ARGUMENT;
+  }
+
+  try {
+    auto new_plot = std::make_unique<SolidRayTracePlot>();
+    new_plot->set_id();
+    int32_t new_plot_id = new_plot->id();
+#ifdef USE_LIBPNG
+    new_plot->path_plot() = fmt::format("plot_{}.png", new_plot_id);
+#else
+    new_plot->path_plot() = fmt::format("plot_{}.ppm", new_plot_id);
+#endif
+    int32_t new_plot_index = model::plots.size();
+    model::plots.emplace_back(std::move(new_plot));
+    model::plot_map[new_plot_id] = new_plot_index;
+    *index = new_plot_index;
+  } catch (const std::exception& e) {
+    set_errmsg(e.what());
+    return OPENMC_E_ALLOCATE;
+  }
+
+  return 0;
+}
+
+extern "C" int openmc_solidraytrace_plot_get_pixels(
+  int32_t index, int32_t* width, int32_t* height)
+{
+  if (!width || !height) {
+    set_errmsg(
+      "Invalid arguments passed to openmc_solidraytrace_plot_get_pixels");
+    return OPENMC_E_INVALID_ARGUMENT;
+  }
+
+  SolidRayTracePlot* plt = nullptr;
+  int err = get_solidraytrace_plot_by_index(index, &plt);
+  if (err)
+    return err;
+
+  *width = plt->pixels()[0];
+  *height = plt->pixels()[1];
+  return 0;
+}
+
+extern "C" int openmc_solidraytrace_plot_set_pixels(
+  int32_t index, int32_t width, int32_t height)
+{
+  if (width <= 0 || height <= 0) {
+    set_errmsg(
+      "Invalid arguments passed to openmc_solidraytrace_plot_set_pixels");
+    return OPENMC_E_INVALID_ARGUMENT;
+  }
+
+  SolidRayTracePlot* plt = nullptr;
+  int err = get_solidraytrace_plot_by_index(index, &plt);
+  if (err)
+    return err;
+
+  plt->pixels()[0] = width;
+  plt->pixels()[1] = height;
+  return 0;
+}
+
+extern "C" int openmc_solidraytrace_plot_get_color_by(
+  int32_t index, int32_t* color_by)
+{
+  if (!color_by) {
+    set_errmsg(
+      "Invalid arguments passed to openmc_solidraytrace_plot_get_color_by");
+    return OPENMC_E_INVALID_ARGUMENT;
+  }
+
+  SolidRayTracePlot* plt = nullptr;
+  int err = get_solidraytrace_plot_by_index(index, &plt);
+  if (err)
+    return err;
+
+  if (plt->color_by_ == PlottableInterface::PlotColorBy::mats) {
+    *color_by = 0;
+  } else if (plt->color_by_ == PlottableInterface::PlotColorBy::cells) {
+    *color_by = 1;
+  } else {
+    set_errmsg("Unsupported color_by for SolidRayTracePlot");
+    return OPENMC_E_INVALID_TYPE;
+  }
+
+  return 0;
+}
+
+extern "C" int openmc_solidraytrace_plot_set_color_by(
+  int32_t index, int32_t color_by)
+{
+  SolidRayTracePlot* plt = nullptr;
+  int err = get_solidraytrace_plot_by_index(index, &plt);
+  if (err)
+    return err;
+
+  if (color_by == 0) {
+    plt->color_by_ = PlottableInterface::PlotColorBy::mats;
+  } else if (color_by == 1) {
+    plt->color_by_ = PlottableInterface::PlotColorBy::cells;
+  } else {
+    set_errmsg("Invalid color_by value for SolidRayTracePlot");
+    return OPENMC_E_INVALID_ARGUMENT;
+  }
+
+  return 0;
+}
+
+extern "C" int openmc_solidraytrace_plot_set_default_colors(int32_t index)
+{
+  SolidRayTracePlot* plt = nullptr;
+  int err = get_solidraytrace_plot_by_index(index, &plt);
+  if (err)
+    return err;
+
+  plt->set_default_colors();
+  return 0;
+}
+
+extern "C" int openmc_solidraytrace_plot_set_all_opaque(int32_t index)
+{
+  SolidRayTracePlot* plt = nullptr;
+  int err = get_solidraytrace_plot_by_index(index, &plt);
+  if (err)
+    return err;
+
+  plt->opaque_ids().clear();
+  if (plt->color_by_ == PlottableInterface::PlotColorBy::mats) {
+    for (int32_t i = 0; i < model::materials.size(); ++i) {
+      plt->opaque_ids().insert(i);
+    }
+    return 0;
+  }
+
+  if (plt->color_by_ == PlottableInterface::PlotColorBy::cells) {
+    for (int32_t i = 0; i < model::cells.size(); ++i) {
+      plt->opaque_ids().insert(i);
+    }
+    return 0;
+  }
+
+  set_errmsg("Unsupported color_by for SolidRayTracePlot");
+  return OPENMC_E_INVALID_TYPE;
+}
+
+extern "C" int openmc_solidraytrace_plot_set_opaque(
+  int32_t index, int32_t id, bool visible)
+{
+  SolidRayTracePlot* plt = nullptr;
+  int err = get_solidraytrace_plot_by_index(index, &plt);
+  if (err)
+    return err;
+
+  int32_t domain_index = -1;
+  err = map_phong_domain_id(plt, id, &domain_index);
+  if (err)
+    return err;
+
+  if (visible) {
+    plt->opaque_ids().insert(domain_index);
+  } else {
+    plt->opaque_ids().erase(domain_index);
+  }
+
+  return 0;
+}
+
+extern "C" int openmc_solidraytrace_plot_set_color(
+  int32_t index, int32_t id, uint8_t r, uint8_t g, uint8_t b)
+{
+  SolidRayTracePlot* plt = nullptr;
+  int err = get_solidraytrace_plot_by_index(index, &plt);
+  if (err)
+    return err;
+
+  int32_t domain_index = -1;
+  err = map_phong_domain_id(plt, id, &domain_index);
+  if (err)
+    return err;
+
+  if (domain_index < 0 ||
+      static_cast<size_t>(domain_index) >= plt->colors_.size()) {
+    set_errmsg("Color index out of range for SolidRayTracePlot");
+    return OPENMC_E_OUT_OF_BOUNDS;
+  }
+
+  plt->colors_[domain_index] = RGBColor(r, g, b);
+  return 0;
+}
+
+extern "C" int openmc_solidraytrace_plot_get_camera_position(
+  int32_t index, double* x, double* y, double* z)
+{
+  if (!x || !y || !z) {
+    set_errmsg("Invalid arguments passed to "
+               "openmc_solidraytrace_plot_get_camera_position");
+    return OPENMC_E_INVALID_ARGUMENT;
+  }
+
+  SolidRayTracePlot* plt = nullptr;
+  int err = get_solidraytrace_plot_by_index(index, &plt);
+  if (err)
+    return err;
+
+  const auto& camera_position = plt->camera_position();
+  *x = camera_position.x;
+  *y = camera_position.y;
+  *z = camera_position.z;
+  return 0;
+}
+
+extern "C" int openmc_solidraytrace_plot_set_camera_position(
+  int32_t index, double x, double y, double z)
+{
+  SolidRayTracePlot* plt = nullptr;
+  int err = get_solidraytrace_plot_by_index(index, &plt);
+  if (err)
+    return err;
+
+  plt->camera_position() = {x, y, z};
+  return 0;
+}
+
+extern "C" int openmc_solidraytrace_plot_get_look_at(
+  int32_t index, double* x, double* y, double* z)
+{
+  if (!x || !y || !z) {
+    set_errmsg(
+      "Invalid arguments passed to openmc_solidraytrace_plot_get_look_at");
+    return OPENMC_E_INVALID_ARGUMENT;
+  }
+
+  SolidRayTracePlot* plt = nullptr;
+  int err = get_solidraytrace_plot_by_index(index, &plt);
+  if (err)
+    return err;
+
+  const auto& look_at = plt->look_at();
+  *x = look_at.x;
+  *y = look_at.y;
+  *z = look_at.z;
+  return 0;
+}
+
+extern "C" int openmc_solidraytrace_plot_set_look_at(
+  int32_t index, double x, double y, double z)
+{
+  SolidRayTracePlot* plt = nullptr;
+  int err = get_solidraytrace_plot_by_index(index, &plt);
+  if (err)
+    return err;
+
+  plt->look_at() = {x, y, z};
+  return 0;
+}
+
+extern "C" int openmc_solidraytrace_plot_get_up(
+  int32_t index, double* x, double* y, double* z)
+{
+  if (!x || !y || !z) {
+    set_errmsg("Invalid arguments passed to openmc_solidraytrace_plot_get_up");
+    return OPENMC_E_INVALID_ARGUMENT;
+  }
+
+  SolidRayTracePlot* plt = nullptr;
+  int err = get_solidraytrace_plot_by_index(index, &plt);
+  if (err)
+    return err;
+
+  const auto& up = plt->up();
+  *x = up.x;
+  *y = up.y;
+  *z = up.z;
+  return 0;
+}
+
+extern "C" int openmc_solidraytrace_plot_set_up(
+  int32_t index, double x, double y, double z)
+{
+  SolidRayTracePlot* plt = nullptr;
+  int err = get_solidraytrace_plot_by_index(index, &plt);
+  if (err)
+    return err;
+
+  plt->up() = {x, y, z};
+  return 0;
+}
+
+extern "C" int openmc_solidraytrace_plot_get_light_position(
+  int32_t index, double* x, double* y, double* z)
+{
+  if (!x || !y || !z) {
+    set_errmsg("Invalid arguments passed to "
+               "openmc_solidraytrace_plot_get_light_position");
+    return OPENMC_E_INVALID_ARGUMENT;
+  }
+
+  SolidRayTracePlot* plt = nullptr;
+  int err = get_solidraytrace_plot_by_index(index, &plt);
+  if (err)
+    return err;
+
+  const auto& light_position = plt->light_location();
+  *x = light_position.x;
+  *y = light_position.y;
+  *z = light_position.z;
+  return 0;
+}
+
+extern "C" int openmc_solidraytrace_plot_set_light_position(
+  int32_t index, double x, double y, double z)
+{
+  SolidRayTracePlot* plt = nullptr;
+  int err = get_solidraytrace_plot_by_index(index, &plt);
+  if (err)
+    return err;
+
+  plt->light_location() = {x, y, z};
+  return 0;
+}
+
+extern "C" int openmc_solidraytrace_plot_get_fov(int32_t index, double* fov)
+{
+  if (!fov) {
+    set_errmsg("Invalid arguments passed to openmc_solidraytrace_plot_get_fov");
+    return OPENMC_E_INVALID_ARGUMENT;
+  }
+
+  SolidRayTracePlot* plt = nullptr;
+  int err = get_solidraytrace_plot_by_index(index, &plt);
+  if (err)
+    return err;
+
+  *fov = plt->horizontal_field_of_view();
+  return 0;
+}
+
+extern "C" int openmc_solidraytrace_plot_set_fov(int32_t index, double fov)
+{
+  SolidRayTracePlot* plt = nullptr;
+  int err = get_solidraytrace_plot_by_index(index, &plt);
+  if (err)
+    return err;
+
+  plt->horizontal_field_of_view() = fov;
+  return 0;
+}
+
+extern "C" int openmc_solidraytrace_plot_update_view(int32_t index)
+{
+  SolidRayTracePlot* plt = nullptr;
+  int err = get_solidraytrace_plot_by_index(index, &plt);
+  if (err)
+    return err;
+
+  plt->update_view();
+  return 0;
+}
+
+extern "C" int openmc_solidraytrace_plot_create_image(
+  int32_t index, uint8_t* data_out, int32_t width, int32_t height)
+{
+  if (!data_out || width <= 0 || height <= 0) {
+    set_errmsg(
+      "Invalid arguments passed to openmc_solidraytrace_plot_create_image");
+    return OPENMC_E_INVALID_ARGUMENT;
+  }
+
+  SolidRayTracePlot* plt = nullptr;
+  int err = get_solidraytrace_plot_by_index(index, &plt);
+  if (err)
+    return err;
+
+  if (plt->pixels()[0] != width || plt->pixels()[1] != height) {
+    set_errmsg(
+      "Requested image size does not match SolidRayTracePlot pixel settings");
+    return OPENMC_E_INVALID_SIZE;
+  }
+
+  ImageData data = plt->create_image();
+  if (static_cast<int32_t>(data.shape()[0]) != width ||
+      static_cast<int32_t>(data.shape()[1]) != height) {
+    set_errmsg("Unexpected image size from SolidRayTracePlot create_image");
+    return OPENMC_E_INVALID_SIZE;
+  }
+
+  for (int32_t y = 0; y < height; ++y) {
+    for (int32_t x = 0; x < width; ++x) {
+      const auto& color = data(x, y);
+      size_t idx = (static_cast<size_t>(y) * width + x) * 3;
+      data_out[idx + 0] = color.red;
+      data_out[idx + 1] = color.green;
+      data_out[idx + 2] = color.blue;
+    }
+  }
+
+  return 0;
+}
+
+extern "C" int openmc_solidraytrace_plot_get_color(
+  int32_t index, int32_t id, uint8_t* r, uint8_t* g, uint8_t* b)
+{
+  if (!r || !g || !b) {
+    set_errmsg(
+      "Invalid arguments passed to openmc_solidraytrace_plot_get_color");
+    return OPENMC_E_INVALID_ARGUMENT;
+  }
+
+  SolidRayTracePlot* plt = nullptr;
+  int err = get_solidraytrace_plot_by_index(index, &plt);
+  if (err)
+    return err;
+
+  int32_t domain_index = -1;
+  err = map_phong_domain_id(plt, id, &domain_index);
+  if (err)
+    return err;
+
+  if (domain_index < 0 ||
+      static_cast<size_t>(domain_index) >= plt->colors_.size()) {
+    set_errmsg("Color index out of range for SolidRayTracePlot");
+    return OPENMC_E_OUT_OF_BOUNDS;
+  }
+
+  const auto& color = plt->colors_[domain_index];
+  *r = color.red;
+  *g = color.green;
+  *b = color.blue;
+  return 0;
+}
+
+extern "C" int openmc_solidraytrace_plot_get_diffuse_fraction(
+  int32_t index, double* diffuse_fraction)
+{
+  if (!diffuse_fraction) {
+    set_errmsg("Invalid arguments passed to "
+               "openmc_solidraytrace_plot_get_diffuse_fraction");
+    return OPENMC_E_INVALID_ARGUMENT;
+  }
+
+  SolidRayTracePlot* plt = nullptr;
+  int err = get_solidraytrace_plot_by_index(index, &plt);
+  if (err)
+    return err;
+
+  *diffuse_fraction = plt->diffuse_fraction();
+  return 0;
+}
+
+extern "C" int openmc_solidraytrace_plot_set_diffuse_fraction(
+  int32_t index, double diffuse_fraction)
+{
+  SolidRayTracePlot* plt = nullptr;
+  int err = get_solidraytrace_plot_by_index(index, &plt);
+  if (err)
+    return err;
+
+  if (diffuse_fraction < 0.0 || diffuse_fraction > 1.0) {
+    set_errmsg("Diffuse fraction must be between 0 and 1");
+    return OPENMC_E_INVALID_ARGUMENT;
+  }
+
+  plt->diffuse_fraction() = diffuse_fraction;
+  return 0;
+}
+
 } // namespace openmc
diff --git a/tests/unit_tests/test_lib.py b/tests/unit_tests/test_lib.py
index 3ec2a9ae4..8ef8d5927 100644
--- a/tests/unit_tests/test_lib.py
+++ b/tests/unit_tests/test_lib.py
@@ -934,6 +934,60 @@ def test_property_map(lib_init):
     assert np.allclose(expected_properties, properties, atol=1e-04)
 
 
+def test_solid_raytrace_plot(lib_init, pincell_model):
+    # Ensure plot mapping can be accessed and grows after allocation
+    n0 = len(openmc.lib.plots)
+    plot = openmc.lib.SolidRayTracePlot()
+    assert len(openmc.lib.plots) == n0 + 1
+    assert plot.id in openmc.lib.plots
+    assert openmc.lib.plots[plot.id] is plot
+
+    # Exercise plot property getters/setters
+    plot.pixels = (8, 6)
+    assert plot.pixels == (8, 6)
+
+    plot.color_by = openmc.lib.SolidRayTracePlot.COLOR_BY_MATERIAL
+    assert plot.color_by == openmc.lib.SolidRayTracePlot.COLOR_BY_MATERIAL
+
+    plot.camera_position = (2.0, 0.0, 1.0)
+    plot.look_at = (0.0, 0.0, 0.0)
+    plot.up = (0.0, 0.0, 1.0)
+    plot.light_position = (3.0, 2.0, 4.0)
+    plot.fov = 60.0
+    plot.diffuse_fraction = 0.4
+    assert plot.camera_position == pytest.approx((2.0, 0.0, 1.0))
+    assert plot.look_at == pytest.approx((0.0, 0.0, 0.0))
+    assert plot.up == pytest.approx((0.0, 0.0, 1.0))
+    assert plot.light_position == pytest.approx((3.0, 2.0, 4.0))
+    assert plot.fov == pytest.approx(60.0)
+    assert plot.diffuse_fraction == pytest.approx(0.4)
+
+    # Exercise color/visibility CAPI wrappers
+    plot.set_default_colors()
+    plot.set_color(1, (12, 34, 56))
+    assert plot.get_color(1) == (12, 34, 56)
+    plot.set_visibility(1, False)
+    plot.set_visibility(1, True)
+
+    # Confirm image creation path works and dimensions match pixels
+    plot.update_view()
+    image = plot.create_image()
+    assert image.shape == (6, 8, 3)
+    assert image.dtype == np.uint8
+
+    # Change some properties and confirm image changes
+    plot.set_color(1, (255, 0, 0))
+    plot.update_view()
+    image2 = plot.create_image()
+    assert not np.array_equal(image, image2)
+
+    # Solid raytrace uses Phong/diffuse shading, so rendered RGB values are
+    # generally modulated and need not exactly match the assigned palette.
+    changed = np.any(image != image2, axis=2)
+    assert np.any(changed)
+    assert np.mean(image2[..., 0][changed]) > np.mean(image[..., 0][changed])
+
+
 def test_position(lib_init):
 
     pos = openmc.lib.plot._Position(1.0, 2.0, 3.0)

From 19c0aafdc6f181ef298e625111364902da3e04ef Mon Sep 17 00:00:00 2001
From: Kevin Sawatzky <66632997+nuclearkevin@users.noreply.github.com>
Date: Fri, 13 Feb 2026 10:52:10 -0600
Subject: [PATCH 2526/2654] Fix `None` values appearing in cross section data
 generated with `Model.autoconvert` (#3802)

---
 openmc/model/model.py | 7 ++++---
 1 file changed, 4 insertions(+), 3 deletions(-)

diff --git a/openmc/model/model.py b/openmc/model/model.py
index 82fe87ca5..a512c4d38 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -2052,7 +2052,8 @@ class Model:
             # Unpack the isothermal XSData objects and build a single XSData object per material.
             mgxs_sets = []
             for m in range(len(self.materials)):
-                mgxs_sets.append(openmc.XSdata(self.materials[m].name, groups))
+                mgxs_sets.append(openmc.XSdata(self.materials[m].name, groups,
+                                               temperatures=temperatures))
                 mgxs_sets[-1].order = 0
                 for temperature in temperatures:
                     mgxs_sets[-1].add_temperature_data(raw_mgxs_sets[temperature][m])
@@ -2333,7 +2334,7 @@ class Model:
             # Unpack the isothermal XSData objects and build a single XSData object per material.
             mgxs_sets = []
             for mat in self.materials:
-                mgxs_sets.append(openmc.XSdata(mat.name, groups))
+                mgxs_sets.append(openmc.XSdata(mat.name, groups, temperatures=temperatures))
                 mgxs_sets[-1].order = 0
                 for temperature in temperatures:
                     mgxs_sets[-1].add_temperature_data(raw_mgxs_sets[temperature][mat.name])
@@ -2500,7 +2501,7 @@ class Model:
             # Unpack the isothermal XSData objects and build a single XSData object per material.
             mgxs_sets = []
             for mat in self.materials:
-                mgxs_sets.append(openmc.XSdata(mat.name, groups))
+                mgxs_sets.append(openmc.XSdata(mat.name, groups, temperatures=temperatures))
                 mgxs_sets[-1].order = 0
                 for temperature in temperatures:
                     mgxs_sets[-1].add_temperature_data(raw_mgxs_sets[temperature][mat.name])

From 7fc5b948777468b1579bca78e85cfd1c2a754a6b Mon Sep 17 00:00:00 2001
From: GuySten <62616591+GuySten@users.noreply.github.com>
Date: Sat, 14 Feb 2026 05:14:03 +0200
Subject: [PATCH 2527/2654] Store atomic mass in ParticleType. (#3765)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 CMakeLists.txt                 |    1 +
 include/openmc/atomic_mass.h   |   28 +
 include/openmc/constants.h     |    7 +-
 include/openmc/particle_type.h |   12 +
 src/atomic_mass.cpp            | 3569 ++++++++++++++++++++++++++++++++
 src/particle.cpp               |   10 +-
 6 files changed, 3617 insertions(+), 10 deletions(-)
 create mode 100644 include/openmc/atomic_mass.h
 create mode 100644 src/atomic_mass.cpp

diff --git a/CMakeLists.txt b/CMakeLists.txt
index d3119fb87..b204b45fc 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -332,6 +332,7 @@ endif()
 #===============================================================================
 
 list(APPEND libopenmc_SOURCES
+  src/atomic_mass.cpp
   src/bank.cpp
   src/boundary_condition.cpp
   src/bremsstrahlung.cpp
diff --git a/include/openmc/atomic_mass.h b/include/openmc/atomic_mass.h
new file mode 100644
index 000000000..b4d515d2e
--- /dev/null
+++ b/include/openmc/atomic_mass.h
@@ -0,0 +1,28 @@
+//==============================================================================
+// atomic masses definitions
+//==============================================================================
+
+#ifndef OPENMC_ATOMIC_MASS_H
+#define OPENMC_ATOMIC_MASS_H
+
+#include <cstdint>
+#include <unordered_map>
+
+namespace openmc {
+
+// Values here are from the Committee on Data for Science and Technology
+// (CODATA) 2018 recommendation (https://physics.nist.gov/cuu/Constants/).
+
+// Physical constants
+constexpr double MASS_ELECTRON {5.48579909065e-4}; // mass of an electron in amu
+constexpr double MASS_NEUTRON {1.00866491595};     // mass of a neutron in amu
+constexpr double MASS_PROTON {1.007276466621};     // mass of a proton in amu
+constexpr double MASS_DEUTRON {2.013553212745};    // mass of a deutron in amu
+constexpr double MASS_HELION {3.014932247175};     // mass of a helion in amu
+constexpr double MASS_ALPHA {4.001506179127};      // mass of an alpha in amu
+
+extern std::unordered_map<int32_t, double> ATOMIC_MASS;
+
+} // namespace openmc
+
+#endif //  OPENMC_ATOMIC_MASS_H
diff --git a/include/openmc/constants.h b/include/openmc/constants.h
index 8185214fc..38238598e 100644
--- a/include/openmc/constants.h
+++ b/include/openmc/constants.h
@@ -9,6 +9,7 @@
 #include <limits>
 
 #include "openmc/array.h"
+#include "openmc/atomic_mass.h"
 #include "openmc/vector.h"
 #include "openmc/version.h"
 
@@ -86,10 +87,10 @@ constexpr double INFTY {std::numeric_limits<double>::max()};
 // (CODATA) 2018 recommendation (https://physics.nist.gov/cuu/Constants/).
 
 // Physical constants
-constexpr double MASS_NEUTRON {1.00866491595}; // mass of a neutron in amu
+constexpr double AMU_EV {
+  9.3149410242e8}; // atomic mass unit energy equivalent in eV/c^2
 constexpr double MASS_NEUTRON_EV {
-  939.56542052e6};                             // mass of a neutron in eV/c^2
-constexpr double MASS_PROTON {1.007276466621}; // mass of a proton in amu
+  939.56542052e6}; // neutron mass energy equivalent in eV/c^2
 constexpr double MASS_ELECTRON_EV {
   0.51099895000e6}; // electron mass energy equivalent in eV/c^2
 constexpr double FINE_STRUCTURE {
diff --git a/include/openmc/particle_type.h b/include/openmc/particle_type.h
index fed3c9284..0fd896c57 100644
--- a/include/openmc/particle_type.h
+++ b/include/openmc/particle_type.h
@@ -12,6 +12,7 @@
 #include <type_traits>
 
 #include "openmc/constants.h"
+#include "openmc/error.h"
 
 namespace openmc {
 
@@ -61,6 +62,17 @@ public:
   //----------------------------------------------------------------------------
   // Methods
 
+  // Get particle mass in [u]
+  double mass() const
+  {
+    int32_t p = std::abs(pdg_number_);
+    if (ATOMIC_MASS.count(p)) {
+      return ATOMIC_MASS[p];
+    } else {
+      fatal_error("Unknown mass for particle " + str());
+    }
+  }
+
   // Convert to string representation
   std::string str() const;
 
diff --git a/src/atomic_mass.cpp b/src/atomic_mass.cpp
new file mode 100644
index 000000000..0e63c9603
--- /dev/null
+++ b/src/atomic_mass.cpp
@@ -0,0 +1,3569 @@
+#include "openmc/atomic_mass.h"
+
+namespace openmc {
+
+// Atomic masses in [u] from AME2020 and CODATA 2018
+std::unordered_map<int32_t, double> ATOMIC_MASS = {
+  {11, MASS_ELECTRON},
+  {22, 0.0},
+  {2112, MASS_NEUTRON},
+  {2212, MASS_PROTON},
+  {1000010020, MASS_DEUTRON},
+  {1000020030, MASS_HELION},
+  {1000020040, MASS_ALPHA},
+  {1000010030, 3.01604928132},
+  {1000030030, 3.030775},
+  {1000010040, 4.026431867},
+  {1000030040, 4.027185561},
+  {1000010050, 5.035311492},
+  {1000020050, 5.012057224},
+  {1000030050, 5.0125378},
+  {1000040050, 5.03987},
+  {1000010060, 6.044955437},
+  {1000020060, 6.018885889},
+  {1000030060, 6.01512288742},
+  {1000040060, 6.0197264090000004},
+  {1000050060, 6.0508},
+  {1000010070, 7.052749},
+  {1000020070, 7.027990652},
+  {1000030070, 7.01600343426},
+  {1000040070, 7.016928714},
+  {1000050070, 7.029712},
+  {1000020080, 8.033934388},
+  {1000030080, 8.022486244},
+  {1000040080, 8.005305102},
+  {1000050080, 8.024607315},
+  {1000060080, 8.037643039},
+  {1000020090, 9.043946414},
+  {1000030090, 9.026790191},
+  {1000040090, 9.012183062},
+  {1000050090, 9.013329645},
+  {1000060090, 9.031037202},
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+  {1001132900, 290.191429},
+  {1001142900, 290.191875},
+  {1001152900, 290.196235},
+  {1001162900, 290.198635},
+  {1001142910, 291.194848},
+  {1001152910, 291.197725},
+  {1001162910, 291.201014},
+  {1001172910, 291.205748},
+  {1001152920, 292.200323},
+  {1001162920, 292.201969},
+  {1001172920, 292.207861},
+  {1001162930, 293.204583},
+  {1001172930, 293.208727},
+  {1001182930, 293.213423},
+  {1001172940, 294.21084},
+  {1001182940, 294.213979},
+  {1001182950, 295.216178},
+};
+
+} // namespace openmc
diff --git a/src/particle.cpp b/src/particle.cpp
index a035e76b9..8d0e5b3f0 100644
--- a/src/particle.cpp
+++ b/src/particle.cpp
@@ -48,20 +48,16 @@ double Particle::speed() const
   if (settings::run_CE) {
     // Determine mass in eV/c^2
     double mass;
-    switch (this->type().pdg_number()) {
+    switch (type().pdg_number()) {
     case PDG_NEUTRON:
       mass = MASS_NEUTRON_EV;
-      break;
-    case PDG_PHOTON:
-      mass = 0.0;
-      break;
     case PDG_ELECTRON:
     case PDG_POSITRON:
       mass = MASS_ELECTRON_EV;
-      break;
     default:
-      fatal_error("Unsupported particle for speed calculation.");
+      mass = this->type().mass() * AMU_EV;
     }
+
     // Equivalent to C * sqrt(1-(m/(m+E))^2) without problem at E<<m:
     return C_LIGHT * std::sqrt(this->E() * (this->E() + 2 * mass)) /
            (this->E() + mass);

From a35927aad3098f6aa40546edfc38e19f9293c0d4 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 13 Feb 2026 22:18:29 -0600
Subject: [PATCH 2528/2654] Extend ParticleProductionFilter to support multiple
 particle types (#3780)

---
 CMakeLists.txt                                |   1 +
 docs/source/io_formats/tallies.rst            |  32 ++-
 include/openmc/tallies/filter_energy.h        |  31 ---
 .../tallies/filter_particle_production.h      |  53 +++++
 openmc/filter.py                              | 224 ++++++++++++++----
 src/tallies/filter.cpp                        |   1 +
 src/tallies/filter_energy.cpp                 |  44 ----
 src/tallies/filter_particle_production.cpp    | 108 +++++++++
 src/tallies/tally_scoring.cpp                 |  21 +-
 .../mg_tallies/results_true.dat               |  80 +++----
 .../photon_production_inputs_true.dat         |   4 +-
 .../photon_production/inputs_true.dat         |   4 +-
 .../photon_production/results_true.dat        |  10 +
 .../photon_production/test.py                 |   2 +-
 tests/unit_tests/test_filters.py              |  82 ++++++-
 15 files changed, 512 insertions(+), 185 deletions(-)
 create mode 100644 include/openmc/tallies/filter_particle_production.h
 create mode 100644 src/tallies/filter_particle_production.cpp

diff --git a/CMakeLists.txt b/CMakeLists.txt
index b204b45fc..e29c0d81c 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -427,6 +427,7 @@ list(APPEND libopenmc_SOURCES
   src/tallies/filter_musurface.cpp
   src/tallies/filter_parent_nuclide.cpp
   src/tallies/filter_particle.cpp
+  src/tallies/filter_particle_production.cpp
   src/tallies/filter_polar.cpp
   src/tallies/filter_sph_harm.cpp
   src/tallies/filter_sptl_legendre.cpp
diff --git a/docs/source/io_formats/tallies.rst b/docs/source/io_formats/tallies.rst
index 0ba0e061f..dc57e5775 100644
--- a/docs/source/io_formats/tallies.rst
+++ b/docs/source/io_formats/tallies.rst
@@ -142,9 +142,9 @@ attributes/sub-elements:
 
   :type:
     The type of the filter. Accepted options are "cell", "cellfrom",
-    "cellborn", "surface", "material", "universe", "energy", "energyout", "mu",
-    "polar", "azimuthal", "mesh", "distribcell", "delayedgroup",
-    "energyfunction", and "particle".
+    "cellborn", "surface", "material", "universe", "energy", "energyout",
+    "mu", "polar", "azimuthal", "mesh", "distribcell", "delayedgroup",
+    "energyfunction", "particle", and "particleproduction".
 
   :bins:
      A description of the bins for each type of filter can be found in
@@ -321,6 +321,32 @@ should be set to:
   A list of particle identifiers to tally, specified as strings (e.g.,
   ``neutron``, ``photon``, ``He4``) or as integer PDG numbers.
 
+:particleproduction:
+  This filter tallies secondary particles produced in reactions, binned by
+  particle type and, optionally, by energy. Unlike other energy filters, the
+  weight applied is the weight of the secondary particle. To obtain secondary
+  particle production rates, use this filter with the ``events`` score.
+
+  The filter uses the following sub-elements instead of ``bins``:
+
+  :particles:
+    A space-separated list of secondary particle types to tally (e.g.,
+    ``photon``, ``neutron``, ``electron``).
+
+  :energies:
+    An optional monotonically increasing list of energy boundaries in [eV]
+    for binning the secondary particle energies. If omitted, total production
+    is tallied without energy binning.
+
+  For example, to tally photon and neutron production in three energy groups:
+
+  .. code-block:: xml
+
+      <filter id="1" type="particleproduction">
+        <particles>photon neutron</particles>
+        <energies>0.0 1.0e5 1.0e6 20.0e6</energies>
+      </filter>
+
 ------------------
 ``<mesh>`` Element
 ------------------
diff --git a/include/openmc/tallies/filter_energy.h b/include/openmc/tallies/filter_energy.h
index 6bc9ff6b1..3e410d9fd 100644
--- a/include/openmc/tallies/filter_energy.h
+++ b/include/openmc/tallies/filter_energy.h
@@ -73,36 +73,5 @@ public:
   std::string text_label(int bin) const override;
 };
 
-//==============================================================================
-//! Bins the outgoing energy of secondary particles
-//!
-//! This filter can be used to get the photon production matrix for multigroup
-//! photon transport, the energy distribution of secondary neutrons, etc. Unlike
-//! other energy filters, the weight that is applied is equal to the weight of
-//! the secondary particle. Thus, to get secondary production it should be used
-//! in conjunction with the "events" score.
-//==============================================================================
-
-class ParticleProductionFilter : public EnergyFilter {
-public:
-  //----------------------------------------------------------------------------
-  // Methods
-
-  std::string type_str() const override { return "particleproduction"; }
-  FilterType type() const override { return FilterType::PARTICLE_PRODUCTION; }
-
-  void get_all_bins(const Particle& p, TallyEstimator estimator,
-    FilterMatch& match) const override;
-
-  std::string text_label(int bin) const override;
-
-  void from_xml(pugi::xml_node node) override;
-
-  void to_statepoint(hid_t filter_group) const override;
-
-protected:
-  ParticleType secondary_type_; //!< Type of secondary particle to filter
-};
-
 } // namespace openmc
 #endif // OPENMC_TALLIES_FILTER_ENERGY_H
diff --git a/include/openmc/tallies/filter_particle_production.h b/include/openmc/tallies/filter_particle_production.h
new file mode 100644
index 000000000..00fac9f7c
--- /dev/null
+++ b/include/openmc/tallies/filter_particle_production.h
@@ -0,0 +1,53 @@
+#ifndef OPENMC_TALLIES_FILTER_PARTICLE_PRODUCTION_H
+#define OPENMC_TALLIES_FILTER_PARTICLE_PRODUCTION_H
+
+#include <unordered_map>
+
+#include "openmc/particle.h"
+#include "openmc/tallies/filter.h"
+#include "openmc/vector.h"
+
+namespace openmc {
+
+//==============================================================================
+//! Bins the outgoing energy of secondary particles
+//!
+//! This filter bins secondary particles by type and, optionally, by energy. It
+//! can be used to get the photon production matrix for multigroup photon
+//! transport, the energy distribution of secondary neutrons, etc. The weight
+//! that is applied is equal to the weight of the secondary particle. Thus, to
+//! get secondary production it should be used in conjunction with the "events"
+//! score.
+//==============================================================================
+
+class ParticleProductionFilter : public Filter {
+public:
+  //----------------------------------------------------------------------------
+  // Methods
+
+  std::string type_str() const override { return "particleproduction"; }
+  FilterType type() const override { return FilterType::PARTICLE_PRODUCTION; }
+
+  void get_all_bins(const Particle& p, TallyEstimator estimator,
+    FilterMatch& match) const override;
+
+  std::string text_label(int bin) const override;
+
+  void from_xml(pugi::xml_node node) override;
+
+  void to_statepoint(hid_t filter_group) const override;
+
+private:
+  //----------------------------------------------------------------------------
+  // Data members
+
+  vector<ParticleType> secondary_types_; //!< Types of secondary particles
+
+  //! Map from PDG number to index in secondary_types_ for O(1) lookup
+  std::unordered_map<int32_t, int> type_to_index_;
+
+  vector<double> energy_bins_; //!< Energy bin boundaries (optional)
+};
+
+} // namespace openmc
+#endif // OPENMC_TALLIES_FILTER_PARTICLE_PRODUCTION_H
diff --git a/openmc/filter.py b/openmc/filter.py
index 7561f6be6..9a2836e57 100644
--- a/openmc/filter.py
+++ b/openmc/filter.py
@@ -24,9 +24,9 @@ _FILTER_TYPES = (
     'universe', 'material', 'cell', 'cellborn', 'surface', 'mesh', 'energy',
     'energyout', 'mu', 'musurface', 'polar', 'azimuthal', 'distribcell', 'delayedgroup',
     'energyfunction', 'cellfrom', 'materialfrom', 'legendre', 'spatiallegendre',
-    'sphericalharmonics', 'zernike', 'zernikeradial', 'particle', 'cellinstance',
-    'collision', 'time', 'parentnuclide', 'weight', 'meshborn', 'meshsurface',
-    'meshmaterial',
+    'sphericalharmonics', 'zernike', 'zernikeradial', 'particle',
+    'particleproduction', 'cellinstance', 'collision', 'time', 'parentnuclide',
+    'weight', 'meshborn', 'meshsurface', 'meshmaterial',
 )
 
 _CURRENT_NAMES = (
@@ -1748,15 +1748,16 @@ class EnergyoutFilter(EnergyFilter):
     """
 
 
-class ParticleProductionFilter(EnergyFilter):
-    """Bins tally events based on energy of secondary particles.
+class ParticleProductionFilter(Filter):
+    """Bins tally events based on secondary particle type and energy.
 
-    This filter bins the energies of secondary particles (e.g., photons,
-    electrons, or recoils) produced in a reaction. This is useful for
-    constructing production matrices or analyzing secondary particle spectra.
-    Note that unlike other energy filters, the weight that is applied is equal
-    to the weight of the secondary particle. Thus, to obtain secondary particle
-    production, it should be used in conjunction with the "events" score.
+    This filter bins secondary particles (e.g., photons, electrons, or recoils)
+    produced in a reaction by particle type and, optionally, by energy. This is
+    useful for constructing production matrices or analyzing secondary particle
+    spectra. Note that unlike other energy filters, the weight that is applied
+    is equal to the weight of the secondary particle. Thus, to obtain secondary
+    particle production, it should be used in conjunction with the "events"
+    score.
 
     The incident particle type can be filtered using :class:`ParticleFilter`.
 
@@ -1764,63 +1765,206 @@ class ParticleProductionFilter(EnergyFilter):
 
     Parameters
     ----------
-    particle : str, int, openmc.ParticleType
-        Type of secondary particle to tally ('photon', 'neutron', etc.)
-    values : Iterable of Real
+    particles : str, int, openmc.ParticleType, or iterable thereof
+        Type(s) of secondary particle(s) to tally ('photon', 'neutron', etc.)
+    energies : Iterable of Real or str, optional
         A list of energy boundaries in [eV]; each successive pair defines a bin.
+        Alternatively, the name of the group structure can be given as a string
+        (must be a key in :data:`openmc.mgxs.GROUP_STRUCTURES`). If not
+        provided, the filter tallies total secondary particle production without
+        energy binning.
     filter_id : int, optional
         Unique identifier for the filter
 
     Attributes
     ----------
-    values : numpy.ndarray
-        Energy boundaries in [eV]
-    bins : numpy.ndarray
-        Array of (low, high) energy bin pairs
+    particles : list of openmc.ParticleType
+        The secondary particle types this filter applies to
+    energies : numpy.ndarray or None
+        Energy boundaries in [eV], or None if no energy binning
+    bins : list
+        A list of bins; each element fully describes one bin. When energies are
+        specified, each element is a tuple ``(particle, energy_low,
+        energy_high)``. When no energies are specified, each element is a
+        particle name string.
     num_bins : int
-        Number of filter bins
-    particle : str
-        The secondary particle type this filter applies to
+        Total number of filter bins
+    num_energy_bins : int
+        Number of energy bins (1 if no energies specified)
+    shape : tuple of int
+        Shape of the filter as (n_particles, n_energy_bins)
     """
 
-    def __init__(self, particle, values, filter_id=None):
-        super().__init__(values, filter_id)
-        self.particle = particle
+    def __init__(self, particles, energies=None, filter_id=None):
+        self.particles = particles
+        self.energies = energies
+        self.id = filter_id
 
     def __repr__(self):
         string = type(self).__name__ + '\n'
-        string += '{: <16}=\t{}\n'.format('\tParticle', self.particle)
-        string += '{: <16}=\t{}\n'.format('\tValues', self.values)
+        string += '{: <16}=\t{}\n'.format('\tParticles',
+            [str(p) for p in self.particles])
+        if self.energies is not None:
+            string += '{: <16}=\t{}\n'.format('\tEnergies', self.energies)
         string += '{: <16}=\t{}\n'.format('\tID', self.id)
         return string
 
     @property
-    def particle(self) -> openmc.ParticleType:
-        return self._particle
+    def particles(self):
+        return self._particles
 
-    @particle.setter
-    def particle(self, particle):
-        self._particle = openmc.ParticleType(particle)
+    @particles.setter
+    def particles(self, particles):
+        if isinstance(particles, (str, int, openmc.ParticleType)):
+            self._particles = [openmc.ParticleType(particles)]
+        else:
+            self._particles = [openmc.ParticleType(p) for p in particles]
+
+    @property
+    def energies(self):
+        return self._energies
+
+    @energies.setter
+    def energies(self, energies):
+        if energies is None:
+            self._energies = None
+        elif isinstance(energies, str):
+            cv.check_value('energies', energies,
+                           openmc.mgxs.GROUP_STRUCTURES.keys())
+            self._energies = np.array(
+                openmc.mgxs.GROUP_STRUCTURES[energies.upper()])
+        else:
+            energies = np.asarray(energies, dtype=float)
+            cv.check_length('energies', energies, 2)
+            for i in range(len(energies) - 1):
+                if energies[i + 1] <= energies[i]:
+                    raise ValueError("Energy bins must be monotonically "
+                                     "increasing.")
+            self._energies = energies
+
+    @property
+    def bins(self):
+        if self.energies is None:
+            return [str(p) for p in self.particles]
+        else:
+            result = []
+            energy_pairs = np.vstack(
+                (self.energies[:-1], self.energies[1:])).T
+            for particle in self.particles:
+                for e_low, e_high in energy_pairs:
+                    result.append((str(particle), e_low, e_high))
+            return result
+
+    @bins.setter
+    def bins(self, bins):
+        # bins is set indirectly through particles/energies
+        pass
+
+    def check_bins(self, bins):
+        pass
+
+    @property
+    def num_energy_bins(self):
+        if self.energies is None:
+            return 1
+        else:
+            return len(self.energies) - 1
+
+    @property
+    def num_bins(self):
+        return len(self.particles) * self.num_energy_bins
+
+    @property
+    def shape(self):
+        return (len(self.particles), self.num_energy_bins)
 
     def to_xml_element(self):
-        element = super().to_xml_element()
-        subelement = ET.SubElement(element, 'particle')
-        subelement.text = str(self.particle)
+        element = ET.Element('filter')
+        element.set('id', str(self.id))
+        element.set('type', self.short_name.lower())
+
+        subelement = ET.SubElement(element, 'particles')
+        subelement.text = ' '.join(str(p) for p in self.particles)
+
+        if self.energies is not None:
+            subelement = ET.SubElement(element, 'energies')
+            subelement.text = ' '.join(str(e) for e in self.energies)
+
         return element
 
     @classmethod
     def from_xml_element(cls, elem, **kwargs):
         filter_id = int(elem.get('id'))
-        values = [float(x) for x in get_text(elem, 'bins').split()]
-        particle = get_text(elem, 'particle')
-        return cls(particle, values, filter_id=filter_id)
+        particles = get_text(elem, 'particles').split()
+
+        bins_elem = elem.find('energies')
+        if bins_elem is not None:
+            energies = [float(x) for x in bins_elem.text.split()]
+        else:
+            energies = None
+
+        return cls(particles, energies=energies, filter_id=filter_id)
 
     @classmethod
     def from_hdf5(cls, group, **kwargs):
         filter_id = int(group.name.split('/')[-1].lstrip('filter '))
-        bins = group['bins'][()]
-        particle = group['particle'][()].decode()
-        return cls(particle, bins, filter_id=filter_id)
+
+        # Read particle types
+        particles = [b.decode() if isinstance(b, bytes) else b
+                     for b in group['particles'][()]]
+
+        # Read energy bins if present
+        if 'energies' in group:
+            energies = group['energies'][()]
+        else:
+            energies = None
+
+        return cls(particles, energies=energies, filter_id=filter_id)
+
+    def get_pandas_dataframe(self, data_size, stride, **kwargs):
+        """Builds a Pandas DataFrame for the Filter's bins.
+
+        This method constructs a Pandas DataFrame object for the filter with
+        columns annotated by filter bin information. This is a helper method for
+        :meth:`Tally.get_pandas_dataframe`.
+
+        Parameters
+        ----------
+        data_size : int
+            The total number of bins in the tally corresponding to this filter
+        stride : int
+            Stride in memory for the filter
+
+        Returns
+        -------
+        pandas.DataFrame
+            A Pandas DataFrame with columns for particle type and, if energy
+            bins are specified, energy bin boundaries.
+
+        See also
+        --------
+        Tally.get_pandas_dataframe(), CrossFilter.get_pandas_dataframe()
+
+        """
+        filter_dict = {}
+        key = self.short_name.lower()
+        n_ebins = self.num_energy_bins
+
+        # Particle column — outer dimension (changes slowest)
+        particle_names = [str(p) for p in self.particles]
+        filter_dict[key, 'particle'] = _repeat_and_tile(
+            np.array(particle_names), n_ebins * stride, data_size)
+
+        # Energy columns only if energies were specified
+        if self.energies is not None:
+            energy_pairs = np.vstack(
+                (self.energies[:-1], self.energies[1:])).T
+            filter_dict[key, 'energy low [eV]'] = _repeat_and_tile(
+                energy_pairs[:, 0], stride, data_size)
+            filter_dict[key, 'energy high [eV]'] = _repeat_and_tile(
+                energy_pairs[:, 1], stride, data_size)
+
+        return pd.DataFrame(filter_dict)
 
 
 class TimeFilter(RealFilter):
diff --git a/src/tallies/filter.cpp b/src/tallies/filter.cpp
index 16e4c0550..b0e9624c9 100644
--- a/src/tallies/filter.cpp
+++ b/src/tallies/filter.cpp
@@ -31,6 +31,7 @@
 #include "openmc/tallies/filter_musurface.h"
 #include "openmc/tallies/filter_parent_nuclide.h"
 #include "openmc/tallies/filter_particle.h"
+#include "openmc/tallies/filter_particle_production.h"
 #include "openmc/tallies/filter_polar.h"
 #include "openmc/tallies/filter_sph_harm.h"
 #include "openmc/tallies/filter_sptl_legendre.h"
diff --git a/src/tallies/filter_energy.cpp b/src/tallies/filter_energy.cpp
index 0b039440a..0b954cce3 100644
--- a/src/tallies/filter_energy.cpp
+++ b/src/tallies/filter_energy.cpp
@@ -117,50 +117,6 @@ std::string EnergyoutFilter::text_label(int bin) const
     "Outgoing Energy [{}, {})", bins_.at(bin), bins_.at(bin + 1));
 }
 
-//==============================================================================
-// ParticleProductionFilter implementation
-//==============================================================================
-
-void ParticleProductionFilter::get_all_bins(
-  const Particle& p, TallyEstimator estimator, FilterMatch& match) const
-{
-  int start_idx = p.secondary_bank_index();
-  int end_idx = start_idx + p.n_secondaries();
-
-  // Loop over secondary bank entries
-  for (int bank_idx = start_idx; bank_idx < end_idx; bank_idx++) {
-    // Check if this is the correct type of secondary, then match its energy if
-    // it's the right type
-    const auto& site = p.secondary_bank(bank_idx);
-    if (site.particle == secondary_type_) {
-      if (site.E >= bins_.front() && site.E <= bins_.back()) {
-        auto bin = lower_bound_index(bins_.begin(), bins_.end(), site.E);
-        match.bins_.push_back(bin);
-        match.weights_.push_back(site.wgt);
-      }
-    }
-  }
-}
-
-std::string ParticleProductionFilter::text_label(int bin) const
-{
-  return fmt::format("Secondary {}, Energy [{}, {})", secondary_type_.str(),
-    bins_.at(bin), bins_.at(bin + 1));
-}
-
-void ParticleProductionFilter::from_xml(pugi::xml_node node)
-{
-  EnergyFilter::from_xml(node);
-  std::string p = get_node_value(node, "particle");
-  secondary_type_ = ParticleType {p};
-}
-
-void ParticleProductionFilter::to_statepoint(hid_t filter_group) const
-{
-  EnergyFilter::to_statepoint(filter_group);
-  write_dataset(filter_group, "particle", secondary_type_.str());
-}
-
 //==============================================================================
 // C-API functions
 //==============================================================================
diff --git a/src/tallies/filter_particle_production.cpp b/src/tallies/filter_particle_production.cpp
new file mode 100644
index 000000000..f8d82fdd9
--- /dev/null
+++ b/src/tallies/filter_particle_production.cpp
@@ -0,0 +1,108 @@
+#include "openmc/tallies/filter_particle_production.h"
+
+#include <fmt/core.h>
+
+#include "openmc/search.h"
+#include "openmc/xml_interface.h"
+
+namespace openmc {
+
+//==============================================================================
+// ParticleProductionFilter implementation
+//==============================================================================
+
+void ParticleProductionFilter::get_all_bins(
+  const Particle& p, TallyEstimator estimator, FilterMatch& match) const
+{
+  int start_idx = p.secondary_bank_index();
+  int end_idx = start_idx + p.n_secondaries();
+
+  // Loop over secondary bank entries
+  for (int bank_idx = start_idx; bank_idx < end_idx; bank_idx++) {
+    const auto& site = p.secondary_bank(bank_idx);
+
+    // Find which particle-type slot this secondary belongs to
+    auto it = type_to_index_.find(site.particle.pdg_number());
+    if (it == type_to_index_.end())
+      continue;
+
+    int particle_idx = it->second;
+    if (energy_bins_.empty()) {
+      // No energy binning, just particle type
+      match.bins_.push_back(particle_idx);
+      match.weights_.push_back(site.wgt);
+    } else {
+      // Bin the energy
+      if (site.E >= energy_bins_.front() && site.E <= energy_bins_.back()) {
+        int n_energies = static_cast<int>(energy_bins_.size()) - 1;
+        auto energy_idx =
+          lower_bound_index(energy_bins_.begin(), energy_bins_.end(), site.E);
+        match.bins_.push_back(particle_idx * n_energies + energy_idx);
+        match.weights_.push_back(site.wgt);
+      }
+    }
+  }
+}
+
+std::string ParticleProductionFilter::text_label(int bin) const
+{
+  if (energy_bins_.empty()) {
+    return fmt::format("Secondary {}", secondary_types_.at(bin).str());
+  } else {
+    int n_energies = static_cast<int>(energy_bins_.size()) - 1;
+    int particle_idx = bin / n_energies;
+    int energy_idx = bin % n_energies;
+    return fmt::format("Secondary {}, Energy [{}, {})",
+      secondary_types_.at(particle_idx).str(), energy_bins_.at(energy_idx),
+      energy_bins_.at(energy_idx + 1));
+  }
+}
+
+void ParticleProductionFilter::from_xml(pugi::xml_node node)
+{
+  // Read energy bins if present (optional)
+  if (check_for_node(node, "energies")) {
+    auto bins = get_node_array<double>(node, "energies");
+    for (int64_t i = 1; i < bins.size(); ++i) {
+      if (bins[i] <= bins[i - 1]) {
+        throw std::runtime_error {
+          "Energy bins must be monotonically increasing."};
+      }
+    }
+    energy_bins_.assign(bins.begin(), bins.end());
+  }
+
+  // Read particle types (required)
+  auto names = get_node_array<std::string>(node, "particles");
+  for (const auto& name : names) {
+    int idx = secondary_types_.size();
+    secondary_types_.emplace_back(name);
+    type_to_index_[secondary_types_.back().pdg_number()] = idx;
+  }
+
+  // Compute total bins
+  if (energy_bins_.empty()) {
+    n_bins_ = secondary_types_.size();
+  } else {
+    n_bins_ = secondary_types_.size() * (energy_bins_.size() - 1);
+  }
+}
+
+void ParticleProductionFilter::to_statepoint(hid_t filter_group) const
+{
+  Filter::to_statepoint(filter_group);
+
+  // Write energy bins if present
+  if (!energy_bins_.empty()) {
+    write_dataset(filter_group, "energies", energy_bins_);
+  }
+
+  // Write particle types
+  vector<std::string> names;
+  for (const auto& pt : secondary_types_) {
+    names.push_back(pt.str());
+  }
+  write_dataset(filter_group, "particles", names);
+}
+
+} // namespace openmc
diff --git a/src/tallies/tally_scoring.cpp b/src/tallies/tally_scoring.cpp
index 51b5d9ffc..ccc70fc8f 100644
--- a/src/tallies/tally_scoring.cpp
+++ b/src/tallies/tally_scoring.cpp
@@ -903,10 +903,9 @@ void score_general_ce_nonanalog(Particle& p, int i_tally, int start_index,
       break;
 
     case SCORE_EVENTS:
-// Simply count the number of scoring events
-#pragma omp atomic
-      tally.results_(filter_index, score_index, TallyResult::VALUE) += 1.0;
-      continue;
+      // Simply count the number of scoring events
+      score = 1.0;
+      break;
 
     case ELASTIC:
       if (!p.type().is_neutron())
@@ -1513,10 +1512,9 @@ void score_general_ce_analog(Particle& p, int i_tally, int start_index,
       break;
 
     case SCORE_EVENTS:
-// Simply count the number of scoring events
-#pragma omp atomic
-      tally.results_(filter_index, score_index, TallyResult::VALUE) += 1.0;
-      continue;
+      // Simply count the number of scoring events
+      score = 1.0;
+      break;
 
     case ELASTIC:
       if (!p.type().is_neutron())
@@ -2291,10 +2289,9 @@ void score_general_mg(Particle& p, int i_tally, int start_index,
       break;
 
     case SCORE_EVENTS:
-// Simply count the number of scoring events
-#pragma omp atomic
-      tally.results_(filter_index, score_index, TallyResult::VALUE) += 1.0;
-      continue;
+      // Simply count the number of scoring events
+      score = 1.0;
+      break;
 
     default:
       continue;
diff --git a/tests/regression_tests/mg_tallies/results_true.dat b/tests/regression_tests/mg_tallies/results_true.dat
index 07fe22ce5..c1591cca2 100644
--- a/tests/regression_tests/mg_tallies/results_true.dat
+++ b/tests/regression_tests/mg_tallies/results_true.dat
@@ -238,8 +238,8 @@ tally 2:
 3.994127E-08
 4.815195E+06
 6.359497E+12
-1.373000E+00
-4.448330E-01
+1.340228E+00
+4.256704E-01
 1.788012E-04
 8.768717E-09
 3.941968E+00
@@ -260,8 +260,8 @@ tally 2:
 1.493588E-07
 1.064740E+07
 2.378109E+13
-2.753000E+00
-1.542179E+00
+2.698926E+00
+1.484990E+00
 3.953669E-04
 3.279028E-08
 8.155605E+00
@@ -282,8 +282,8 @@ tally 2:
 1.319523E-07
 1.005866E+07
 2.100960E+13
-2.829000E+00
-1.702143E+00
+2.795871E+00
+1.662994E+00
 3.735055E-04
 2.896884E-08
 8.365907E+00
@@ -304,8 +304,8 @@ tally 2:
 2.314228E-07
 1.328300E+07
 3.684741E+13
-3.246000E+00
-2.132054E+00
+3.162533E+00
+2.024101E+00
 4.932336E-04
 5.080661E-08
 9.080077E+00
@@ -326,8 +326,8 @@ tally 2:
 1.984988E-07
 1.206905E+07
 3.160522E+13
-3.759000E+00
-2.944479E+00
+3.670108E+00
+2.815133E+00
 4.481564E-04
 4.357848E-08
 1.076370E+01
@@ -348,8 +348,8 @@ tally 2:
 1.474939E-07
 1.003129E+07
 2.348415E+13
-2.577000E+00
-1.509201E+00
+2.523640E+00
+1.451617E+00
 3.724888E-04
 3.238084E-08
 7.654439E+00
@@ -370,8 +370,8 @@ tally 2:
 1.993067E-07
 1.242911E+07
 3.173385E+13
-3.266000E+00
-2.172442E+00
+3.198836E+00
+2.085466E+00
 4.615266E-04
 4.375584E-08
 9.265396E+00
@@ -392,8 +392,8 @@ tally 2:
 2.277785E-07
 1.329858E+07
 3.626717E+13
-3.485000E+00
-2.510947E+00
+3.467276E+00
+2.484377E+00
 4.938123E-04
 5.000655E-08
 9.871966E+00
@@ -414,8 +414,8 @@ tally 2:
 1.293793E-09
 7.073280E+05
 2.059993E+11
-3.000000E-01
-4.514200E-02
+2.978788E-01
+4.498561E-02
 2.626500E-05
 2.840396E-10
 9.197485E-01
@@ -436,8 +436,8 @@ tally 2:
 2.205650E-10
 2.942995E+05
 3.511863E+10
-1.300000E-01
-5.822000E-03
+1.270281E-01
+5.517180E-03
 1.092814E-05
 4.842290E-11
 3.746117E-01
@@ -908,8 +908,8 @@ tally 12:
 3.994127E-08
 4.815195E+06
 6.359497E+12
-1.373000E+00
-4.448330E-01
+1.340228E+00
+4.256704E-01
 1.788012E-04
 8.768717E-09
 2.806910E+00
@@ -928,8 +928,8 @@ tally 12:
 1.493588E-07
 1.064740E+07
 2.378109E+13
-2.753000E+00
-1.542179E+00
+2.698926E+00
+1.484990E+00
 3.953669E-04
 3.279028E-08
 2.869647E+00
@@ -948,8 +948,8 @@ tally 12:
 1.319523E-07
 1.005866E+07
 2.100960E+13
-2.829000E+00
-1.702143E+00
+2.795871E+00
+1.662994E+00
 3.735055E-04
 2.896884E-08
 3.141043E+00
@@ -968,8 +968,8 @@ tally 12:
 2.314228E-07
 1.328300E+07
 3.684741E+13
-3.246000E+00
-2.132054E+00
+3.162533E+00
+2.024101E+00
 4.932336E-04
 5.080661E-08
 3.682383E+00
@@ -988,8 +988,8 @@ tally 12:
 1.984988E-07
 1.206905E+07
 3.160522E+13
-3.759000E+00
-2.944479E+00
+3.670108E+00
+2.815133E+00
 4.481564E-04
 4.357848E-08
 2.634850E+00
@@ -1008,8 +1008,8 @@ tally 12:
 1.474939E-07
 1.003129E+07
 2.348415E+13
-2.577000E+00
-1.509201E+00
+2.523640E+00
+1.451617E+00
 3.724888E-04
 3.238084E-08
 3.192584E+00
@@ -1028,8 +1028,8 @@ tally 12:
 1.993067E-07
 1.242911E+07
 3.173385E+13
-3.266000E+00
-2.172442E+00
+3.198836E+00
+2.085466E+00
 4.615266E-04
 4.375584E-08
 3.402213E+00
@@ -1048,8 +1048,8 @@ tally 12:
 2.277785E-07
 1.329858E+07
 3.626717E+13
-3.485000E+00
-2.510947E+00
+3.467276E+00
+2.484377E+00
 4.938123E-04
 5.000655E-08
 3.110378E-01
@@ -1068,8 +1068,8 @@ tally 12:
 1.293793E-09
 7.073280E+05
 2.059993E+11
-3.000000E-01
-4.514200E-02
+2.978788E-01
+4.498561E-02
 2.626500E-05
 2.840396E-10
 1.267544E-01
@@ -1088,8 +1088,8 @@ tally 12:
 2.205650E-10
 2.942995E+05
 3.511863E+10
-1.300000E-01
-5.822000E-03
+1.270281E-01
+5.517180E-03
 1.092814E-05
 4.842290E-11
 tally 13:
diff --git a/tests/regression_tests/model_xml/photon_production_inputs_true.dat b/tests/regression_tests/model_xml/photon_production_inputs_true.dat
index cc618eaff..0ae0079f4 100644
--- a/tests/regression_tests/model_xml/photon_production_inputs_true.dat
+++ b/tests/regression_tests/model_xml/photon_production_inputs_true.dat
@@ -48,8 +48,8 @@
       <bins>0.0 20000000.0</bins>
     </filter>
     <filter id="4" type="particleproduction">
-      <bins>0.0 100000.0 300000.0 500000.0 2000000.0 20000000.0</bins>
-      <particle>photon</particle>
+      <particles>neutron photon</particles>
+      <energies>0.0 100000.0 300000.0 500000.0 2000000.0 20000000.0</energies>
     </filter>
     <tally id="1">
       <filters>1 2</filters>
diff --git a/tests/regression_tests/photon_production/inputs_true.dat b/tests/regression_tests/photon_production/inputs_true.dat
index cc618eaff..0ae0079f4 100644
--- a/tests/regression_tests/photon_production/inputs_true.dat
+++ b/tests/regression_tests/photon_production/inputs_true.dat
@@ -48,8 +48,8 @@
       <bins>0.0 20000000.0</bins>
     </filter>
     <filter id="4" type="particleproduction">
-      <bins>0.0 100000.0 300000.0 500000.0 2000000.0 20000000.0</bins>
-      <particle>photon</particle>
+      <particles>neutron photon</particles>
+      <energies>0.0 100000.0 300000.0 500000.0 2000000.0 20000000.0</energies>
     </filter>
     <tally id="1">
       <filters>1 2</filters>
diff --git a/tests/regression_tests/photon_production/results_true.dat b/tests/regression_tests/photon_production/results_true.dat
index ec319aa0e..c4f5fafa2 100644
--- a/tests/regression_tests/photon_production/results_true.dat
+++ b/tests/regression_tests/photon_production/results_true.dat
@@ -139,6 +139,16 @@ tally 4:
 0.000000E+00
 0.000000E+00
 tally 5:
+5.000000E-04
+2.500000E-07
+1.300000E-03
+1.690000E-06
+8.000000E-04
+6.400000E-07
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
 2.000000E-02
 4.000000E-04
 8.200000E-03
diff --git a/tests/regression_tests/photon_production/test.py b/tests/regression_tests/photon_production/test.py
index 65d0688e9..5ed5c5ecf 100644
--- a/tests/regression_tests/photon_production/test.py
+++ b/tests/regression_tests/photon_production/test.py
@@ -72,7 +72,7 @@ def model():
 
     # Track source energies of secondary gammas
     ene2_filter = openmc.ParticleProductionFilter(
-        'photon', [0.0, 100e3, 300e3, 500e3, 2e6, 20e6])
+        ['neutron', 'photon'], [0.0, 100e3, 300e3, 500e3, 2e6, 20e6])
 
     neutron_only = openmc.ParticleFilter(['neutron'])
     tally_gam_ene = openmc.Tally()
diff --git a/tests/unit_tests/test_filters.py b/tests/unit_tests/test_filters.py
index ba3226e3a..2e7481c87 100644
--- a/tests/unit_tests/test_filters.py
+++ b/tests/unit_tests/test_filters.py
@@ -321,12 +321,22 @@ def test_energy_filter():
 
 def test_particle_production_filter():
     energy_bins = [1e3, 1e4, 1e5, 1e6]
+
+    # --- Single particle with energy bins ---
     f = openmc.ParticleProductionFilter('photon', energy_bins)
 
-    assert f.particle == openmc.ParticleType.PHOTON
+    # particles getter always returns a list
+    assert isinstance(f.particles, list)
+    assert len(f.particles) == 1
+    assert f.particles[0] == openmc.ParticleType.PHOTON
+
+    assert f.num_energy_bins == 3
     assert f.num_bins == 3
-    assert f.bins.shape == (3, 2)
-    assert np.allclose(f.values, energy_bins)
+    assert f.shape == (1, 3)
+    assert len(f.bins) == 3
+    # Each bin is (particle_name, e_low, e_high)
+    assert f.bins[0] == ('photon', 1e3, 1e4)
+    assert f.bins[2] == ('photon', 1e5, 1e6)
 
     # __repr__ check
     repr(f)
@@ -335,20 +345,72 @@ def test_particle_production_filter():
     elem = f.to_xml_element()
     assert elem.tag == 'filter'
     assert elem.attrib['type'] == 'particleproduction'
-    assert elem.find('particle').text == 'photon'
-    assert elem.find('bins').text.split()[0] == str(energy_bins[0])
+    assert elem.find('particles').text == 'photon'
+    assert elem.find('energies').text.split()[0] == str(energy_bins[0])
 
     # from_xml_element()
     new_f = openmc.Filter.from_xml_element(elem)
     assert new_f.id == f.id
-    assert new_f.particle == f.particle
-    assert np.allclose(new_f.bins, f.bins)
+    assert new_f.particles == f.particles
+    assert np.allclose(new_f.energies, f.energies)
 
-    # pandas output
+    # pandas output (with energy bins -> 3 MultiIndex columns)
     df = f.get_pandas_dataframe(data_size=3, stride=1)
     assert df.shape[0] == 3
-    assert "particleproduction low [eV]" in df.columns
-    assert "particleproduction high [eV]" in df.columns
+    assert ('particleproduction', 'particle') in df.columns
+    assert ('particleproduction', 'energy low [eV]') in df.columns
+    assert ('particleproduction', 'energy high [eV]') in df.columns
+
+    # --- Multiple particles with energy bins ---
+    f2 = openmc.ParticleProductionFilter(['photon', 'neutron'], energy_bins)
+    assert len(f2.particles) == 2
+    assert f2.num_bins == 6  # 2 particles * 3 energy bins
+    assert f2.shape == (2, 3)
+    assert len(f2.bins) == 6
+    # First 3 bins are photon, next 3 are neutron
+    assert f2.bins[0] == ('photon', 1e3, 1e4)
+    assert f2.bins[3] == ('neutron', 1e3, 1e4)
+
+    df2 = f2.get_pandas_dataframe(data_size=6, stride=1)
+    assert df2.shape[0] == 6
+    assert list(df2[('particleproduction', 'particle')]) == \
+        ['photon'] * 3 + ['neutron'] * 3
+
+    # XML round-trip
+    elem2 = f2.to_xml_element()
+    new_f2 = openmc.Filter.from_xml_element(elem2)
+    assert len(new_f2.particles) == 2
+    assert np.allclose(new_f2.energies, energy_bins)
+
+    # --- Multiple particles without energy bins ---
+    f3 = openmc.ParticleProductionFilter(['photon', 'neutron', 'electron'])
+    assert f3.energies is None
+    assert f3.num_bins == 3
+    assert f3.num_energy_bins == 1
+    assert f3.shape == (3, 1)
+    assert f3.bins == ['photon', 'neutron', 'electron']
+
+    repr(f3)
+
+    df3 = f3.get_pandas_dataframe(data_size=3, stride=1)
+    assert df3.shape[0] == 3
+    assert ('particleproduction', 'particle') in df3.columns
+    # Should not have energy columns
+    assert ('particleproduction', 'energy low [eV]') not in df3.columns
+
+    # XML round-trip without energies
+    elem3 = f3.to_xml_element()
+    assert elem3.find('energies') is None
+    new_f3 = openmc.Filter.from_xml_element(elem3)
+    assert new_f3.energies is None
+    assert len(new_f3.particles) == 3
+
+    # --- Energies from group structure name ---
+    f4 = openmc.ParticleProductionFilter('photon', energies='CCFE-709')
+    expected = openmc.mgxs.GROUP_STRUCTURES['CCFE-709']
+    assert np.allclose(f4.energies, expected)
+    assert f4.num_energy_bins == len(expected) - 1
+    assert f4.num_bins == len(expected) - 1
 
 
 def test_weight():

From c6ef84d1d5ad47cc528573332a539ea1f25a8e44 Mon Sep 17 00:00:00 2001
From: Kevin Sawatzky <66632997+nuclearkevin@users.noreply.github.com>
Date: Sun, 15 Feb 2026 15:59:08 -0600
Subject: [PATCH 2529/2654] Set upper and lower interpolation bounds for MGXS
 data. (#3803)

---
 src/mgxs.cpp | 8 ++++++++
 1 file changed, 8 insertions(+)

diff --git a/src/mgxs.cpp b/src/mgxs.cpp
index a2c479f21..ea78238b8 100644
--- a/src/mgxs.cpp
+++ b/src/mgxs.cpp
@@ -14,6 +14,7 @@
 #include "openmc/error.h"
 #include "openmc/math_functions.h"
 #include "openmc/mgxs_interface.h"
+#include "openmc/nuclide.h"
 #include "openmc/random_lcg.h"
 #include "openmc/settings.h"
 #include "openmc/string_utils.h"
@@ -85,6 +86,13 @@ void Mgxs::metadata_from_hdf5(hid_t xs_id, const vector<double>& temperature,
   delete[] dset_names;
   std::sort(temps_available.begin(), temps_available.end());
 
+  // Set the global upper and lower interpolation bounds to avoid errors
+  // involving C-API functions.
+  data::temperature_min =
+    std::min(data::temperature_min, temps_available.front());
+  data::temperature_max =
+    std::max(data::temperature_max, temps_available.back());
+
   // If only one temperature is available, lets just use nearest temperature
   // interpolation
   if ((num_temps == 1) &&

From 977ade79a1c66db0ff8542b3d231cccf6d7d1200 Mon Sep 17 00:00:00 2001
From: John Tramm <john.tramm@gmail.com>
Date: Tue, 17 Feb 2026 09:50:38 -0600
Subject: [PATCH 2530/2654] Replace xtensor with internal Tensor/View classes
 (#3805)

Co-authored-by: John Tramm <jtramm@gmail.com>
---
 .gitmodules                                   |    6 -
 CMakeLists.txt                                |   19 +-
 cmake/OpenMCConfig.cmake.in                   |    2 -
 docs/source/quickinstall.rst                  |    2 +-
 include/openmc/bremsstrahlung.h               |   12 +-
 include/openmc/distribution_energy.h          |    8 +-
 include/openmc/eigenvalue.h                   |    4 +-
 include/openmc/hdf5_interface.h               |  108 +-
 include/openmc/material.h                     |    4 +-
 include/openmc/mesh.h                         |   16 +-
 include/openmc/mgxs.h                         |    4 +-
 include/openmc/nuclide.h                      |    2 +-
 include/openmc/photon.h                       |   40 +-
 include/openmc/plot.h                         |    8 +-
 .../openmc/random_ray/flat_source_domain.h    |    4 +-
 include/openmc/scattdata.h                    |   42 +-
 include/openmc/secondary_correlated.h         |    8 +-
 include/openmc/secondary_kalbach.h            |   12 +-
 include/openmc/secondary_thermal.h            |   16 +-
 include/openmc/tallies/tally.h                |   18 +-
 include/openmc/tensor.h                       | 1185 +++++++++++++++++
 include/openmc/thermal.h                      |    2 +-
 include/openmc/urr.h                          |    8 +-
 include/openmc/volume_calc.h                  |    2 +-
 include/openmc/weight_windows.h               |   18 +-
 include/openmc/wmp.h                          |    6 +-
 include/openmc/xml_interface.h                |    8 +-
 include/openmc/xsdata.h                       |   24 +-
 src/bank.cpp                                  |    1 +
 src/bremsstrahlung.cpp                        |    6 +-
 src/cmfd_solver.cpp                           |   34 +-
 src/cross_sections.cpp                        |    2 +-
 src/distribution_angle.cpp                    |   13 +-
 src/distribution_energy.cpp                   |   18 +-
 src/eigenvalue.cpp                            |   17 +-
 src/endf.cpp                                  |   15 +-
 src/finalize.cpp                              |    4 +-
 src/hdf5_interface.cpp                        |   22 +-
 src/material.cpp                              |   43 +-
 src/mesh.cpp                                  |  131 +-
 src/mgxs.cpp                                  |   40 +-
 src/nuclide.cpp                               |   26 +-
 src/output.cpp                                |    2 +-
 src/photon.cpp                                |   81 +-
 src/physics.cpp                               |    7 +-
 src/physics_mg.cpp                            |    2 +-
 src/plot.cpp                                  |   30 +-
 src/random_ray/flat_source_domain.cpp         |    4 +-
 src/random_ray/random_ray.cpp                 |    2 +
 src/scattdata.cpp                             |   88 +-
 src/secondary_correlated.cpp                  |   34 +-
 src/secondary_kalbach.cpp                     |   23 +-
 src/secondary_thermal.cpp                     |   14 +-
 src/simulation.cpp                            |    4 +-
 src/source.cpp                                |    7 +-
 src/state_point.cpp                           |   55 +-
 src/tallies/filter_cell_instance.cpp          |    3 +-
 src/tallies/filter_meshmaterial.cpp           |    4 +-
 src/tallies/tally.cpp                         |   64 +-
 src/tallies/tally_scoring.cpp                 |    1 +
 src/tallies/trigger.cpp                       |    2 +-
 src/thermal.cpp                               |   11 +-
 src/track_output.cpp                          |    2 +-
 src/urr.cpp                                   |    4 +-
 src/volume_calc.cpp                           |   14 +-
 src/weight_windows.cpp                        |  136 +-
 src/wmp.cpp                                   |   14 +-
 src/xsdata.cpp                                |  459 ++++---
 tests/cpp_unit_tests/CMakeLists.txt           |    1 +
 tests/cpp_unit_tests/test_tensor.cpp          |  987 ++++++++++++++
 tests/regression_tests/cpp_driver/driver.cpp  |    2 +
 vendor/xtensor                                |    1 -
 vendor/xtl                                    |    1 -
 73 files changed, 3111 insertions(+), 908 deletions(-)
 create mode 100644 include/openmc/tensor.h
 create mode 100644 tests/cpp_unit_tests/test_tensor.cpp
 delete mode 160000 vendor/xtensor
 delete mode 160000 vendor/xtl

diff --git a/.gitmodules b/.gitmodules
index f84d09bb1..2bc123894 100644
--- a/.gitmodules
+++ b/.gitmodules
@@ -1,12 +1,6 @@
 [submodule "vendor/pugixml"]
 	path = vendor/pugixml
 	url = https://github.com/zeux/pugixml.git
-[submodule "vendor/xtensor"]
-	path = vendor/xtensor
-	url = https://github.com/xtensor-stack/xtensor.git
-[submodule "vendor/xtl"]
-	path = vendor/xtl
-	url = https://github.com/xtensor-stack/xtl.git
 [submodule "vendor/fmt"]
 	path = vendor/fmt
 	url = https://github.com/fmtlib/fmt.git
diff --git a/CMakeLists.txt b/CMakeLists.txt
index e29c0d81c..5d6dd2a0e 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -266,23 +266,6 @@ else()
   endif()
 endif()
 
-#===============================================================================
-# xtensor header-only library
-#===============================================================================
-
-if(OPENMC_FORCE_VENDORED_LIBS)
-  add_subdirectory(vendor/xtl)
-  set(xtl_DIR ${CMAKE_CURRENT_BINARY_DIR}/vendor/xtl)
-  add_subdirectory(vendor/xtensor)
-else()
-  find_package_write_status(xtensor)
-  if (NOT xtensor_FOUND)
-    add_subdirectory(vendor/xtl)
-    set(xtl_DIR ${CMAKE_CURRENT_BINARY_DIR}/vendor/xtl)
-    add_subdirectory(vendor/xtensor)
-  endif()
-endif()
-
 #===============================================================================
 # Catch2 library
 #===============================================================================
@@ -498,7 +481,7 @@ endif()
 # target_link_libraries treats any arguments starting with - but not -l as
 # linker flags. Thus, we can pass both linker flags and libraries together.
 target_link_libraries(libopenmc ${ldflags} ${HDF5_LIBRARIES} ${HDF5_HL_LIBRARIES}
-                      xtensor fmt::fmt ${CMAKE_DL_LIBS})
+                      fmt::fmt ${CMAKE_DL_LIBS})
 
 if(TARGET pugixml::pugixml)
   target_link_libraries(libopenmc pugixml::pugixml)
diff --git a/cmake/OpenMCConfig.cmake.in b/cmake/OpenMCConfig.cmake.in
index 837a39c78..cc837bba7 100644
--- a/cmake/OpenMCConfig.cmake.in
+++ b/cmake/OpenMCConfig.cmake.in
@@ -5,8 +5,6 @@ get_filename_component(_OPENMC_PREFIX "${OpenMC_CMAKE_DIR}/../../.." ABSOLUTE)
 
 find_package(fmt CONFIG REQUIRED HINTS ${_OPENMC_PREFIX})
 find_package(pugixml CONFIG REQUIRED HINTS ${_OPENMC_PREFIX})
-find_package(xtl CONFIG REQUIRED HINTS ${_OPENMC_PREFIX})
-find_package(xtensor CONFIG REQUIRED HINTS ${_OPENMC_PREFIX})
 if(@OPENMC_USE_DAGMC@)
   find_package(DAGMC REQUIRED HINTS @DAGMC_DIR@)
 endif()
diff --git a/docs/source/quickinstall.rst b/docs/source/quickinstall.rst
index 0f887940e..6cb774b5b 100644
--- a/docs/source/quickinstall.rst
+++ b/docs/source/quickinstall.rst
@@ -119,7 +119,7 @@ packages should be installed, for example in Homebrew via:
 
 .. code-block:: sh
 
-   brew install llvm cmake xtensor hdf5 python libomp libpng
+   brew install llvm cmake hdf5 python libomp libpng
 
 The compiler provided by the above LLVM package should be used in place of the
 one provisioned by XCode, which does not support the multithreading library used
diff --git a/include/openmc/bremsstrahlung.h b/include/openmc/bremsstrahlung.h
index 2f7e41bf0..d3b586831 100644
--- a/include/openmc/bremsstrahlung.h
+++ b/include/openmc/bremsstrahlung.h
@@ -3,7 +3,7 @@
 
 #include "openmc/particle.h"
 
-#include "xtensor/xtensor.hpp"
+#include "openmc/tensor.h"
 
 namespace openmc {
 
@@ -14,9 +14,9 @@ namespace openmc {
 class BremsstrahlungData {
 public:
   // Data
-  xt::xtensor<double, 2> pdf;   //!< Bremsstrahlung energy PDF
-  xt::xtensor<double, 2> cdf;   //!< Bremsstrahlung energy CDF
-  xt::xtensor<double, 1> yield; //!< Photon yield
+  tensor::Tensor<double> pdf;   //!< Bremsstrahlung energy PDF
+  tensor::Tensor<double> cdf;   //!< Bremsstrahlung energy CDF
+  tensor::Tensor<double> yield; //!< Photon yield
 };
 
 class Bremsstrahlung {
@@ -32,9 +32,9 @@ public:
 
 namespace data {
 
-extern xt::xtensor<double, 1>
+extern tensor::Tensor<double>
   ttb_e_grid; //! energy T of incident electron in [eV]
-extern xt::xtensor<double, 1>
+extern tensor::Tensor<double>
   ttb_k_grid; //! reduced energy W/T of emitted photon
 
 } // namespace data
diff --git a/include/openmc/distribution_energy.h b/include/openmc/distribution_energy.h
index 9b08ed039..efacb9131 100644
--- a/include/openmc/distribution_energy.h
+++ b/include/openmc/distribution_energy.h
@@ -5,7 +5,7 @@
 #define OPENMC_DISTRIBUTION_ENERGY_H
 
 #include "hdf5.h"
-#include "xtensor/xtensor.hpp"
+#include "openmc/tensor.h"
 
 #include "openmc/constants.h"
 #include "openmc/endf.h"
@@ -86,9 +86,9 @@ private:
   struct CTTable {
     Interpolation interpolation;  //!< Interpolation law
     int n_discrete;               //!< Number of of discrete energies
-    xt::xtensor<double, 1> e_out; //!< Outgoing energies in [eV]
-    xt::xtensor<double, 1> p;     //!< Probability density
-    xt::xtensor<double, 1> c;     //!< Cumulative distribution
+    tensor::Tensor<double> e_out; //!< Outgoing energies in [eV]
+    tensor::Tensor<double> p;     //!< Probability density
+    tensor::Tensor<double> c;     //!< Cumulative distribution
   };
 
   int n_region_;                        //!< Number of inteprolation regions
diff --git a/include/openmc/eigenvalue.h b/include/openmc/eigenvalue.h
index b456fee21..438747676 100644
--- a/include/openmc/eigenvalue.h
+++ b/include/openmc/eigenvalue.h
@@ -6,7 +6,7 @@
 
 #include <cstdint> // for int64_t
 
-#include "xtensor/xtensor.hpp"
+#include "openmc/tensor.h"
 #include <hdf5.h>
 
 #include "openmc/array.h"
@@ -24,7 +24,7 @@ namespace simulation {
 extern double keff_generation; //!<  Single-generation k on each processor
 extern array<double, 2> k_sum; //!< Used to reduce sum and sum_sq
 extern vector<double> entropy; //!< Shannon entropy at each generation
-extern xt::xtensor<double, 1> source_frac; //!< Source fraction for UFS
+extern tensor::Tensor<double> source_frac; //!< Source fraction for UFS
 
 } // namespace simulation
 
diff --git a/include/openmc/hdf5_interface.h b/include/openmc/hdf5_interface.h
index 28b0d2b11..93e4bfc82 100644
--- a/include/openmc/hdf5_interface.h
+++ b/include/openmc/hdf5_interface.h
@@ -11,8 +11,7 @@
 
 #include "hdf5.h"
 #include "hdf5_hl.h"
-#include "xtensor/xadapt.hpp"
-#include "xtensor/xarray.hpp"
+#include "openmc/tensor.h"
 
 #include "openmc/array.h"
 #include "openmc/error.h"
@@ -166,24 +165,19 @@ void read_attribute(hid_t obj_id, const char* name, vector<T>& vec)
   read_attr(obj_id, name, H5TypeMap<T>::type_id, vec.data());
 }
 
-// Generic array version
+// Tensor version
 template<typename T>
-void read_attribute(hid_t obj_id, const char* name, xt::xarray<T>& arr)
+void read_attribute(hid_t obj_id, const char* name, tensor::Tensor<T>& tensor)
 {
-  // Get shape of attribute array
+  // Get shape of attribute
   auto shape = attribute_shape(obj_id, name);
 
-  // Allocate new array to read data into
-  std::size_t size = 1;
-  for (const auto x : shape)
-    size *= x;
-  vector<T> buffer(size);
+  // Resize tensor and read data directly
+  vector<size_t> tshape(shape.begin(), shape.end());
+  tensor.resize(tshape);
 
   // Read data from attribute
-  read_attr(obj_id, name, H5TypeMap<T>::type_id, buffer.data());
-
-  // Adapt array into xarray
-  arr = xt::adapt(buffer, shape);
+  read_attr(obj_id, name, H5TypeMap<T>::type_id, tensor.data());
 }
 
 // overload for std::string
@@ -290,63 +284,34 @@ void read_dataset(
 }
 
 template<typename T>
-void read_dataset(hid_t dset, xt::xarray<T>& arr, bool indep = false)
+void read_dataset(hid_t dset, tensor::Tensor<T>& tensor, bool indep = false)
 {
   // Get shape of dataset
   vector<hsize_t> shape = object_shape(dset);
 
-  // Allocate space in the array to read data into
-  std::size_t size = 1;
-  for (const auto x : shape)
-    size *= x;
-  arr.resize(shape);
+  // Resize tensor and read data directly
+  vector<size_t> tshape(shape.begin(), shape.end());
+  tensor.resize(tshape);
 
-  // Read data from attribute
+  // Read data from dataset
   read_dataset_lowlevel(
-    dset, nullptr, H5TypeMap<T>::type_id, H5S_ALL, indep, arr.data());
+    dset, nullptr, H5TypeMap<T>::type_id, H5S_ALL, indep, tensor.data());
 }
 
 template<>
 void read_dataset(
-  hid_t dset, xt::xarray<std::complex<double>>& arr, bool indep);
+  hid_t dset, tensor::Tensor<std::complex<double>>& tensor, bool indep);
 
 template<typename T>
 void read_dataset(
-  hid_t obj_id, const char* name, xt::xarray<T>& arr, bool indep = false)
+  hid_t obj_id, const char* name, tensor::Tensor<T>& tensor, bool indep = false)
 {
-  // Open dataset and read array
+  // Open dataset and read tensor
   hid_t dset = open_dataset(obj_id, name);
-  read_dataset(dset, arr, indep);
+  read_dataset(dset, tensor, indep);
   close_dataset(dset);
 }
 
-template<typename T, std::size_t N>
-void read_dataset(
-  hid_t obj_id, const char* name, xt::xtensor<T, N>& arr, bool indep = false)
-{
-  // Open dataset and read array
-  hid_t dset = open_dataset(obj_id, name);
-
-  // Get shape of dataset
-  vector<hsize_t> hsize_t_shape = object_shape(dset);
-  close_dataset(dset);
-
-  // cast from hsize_t to size_t
-  vector<size_t> shape(hsize_t_shape.size());
-  for (int i = 0; i < shape.size(); i++) {
-    shape[i] = static_cast<size_t>(hsize_t_shape[i]);
-  }
-
-  // Allocate new xarray to read data into
-  xt::xarray<T> xarr(shape);
-
-  // Read data from the dataset
-  read_dataset(obj_id, name, xarr);
-
-  // Copy into xtensor
-  arr = xarr;
-}
-
 // overload for Position
 inline void read_dataset(
   hid_t obj_id, const char* name, Position& r, bool indep = false)
@@ -358,31 +323,22 @@ inline void read_dataset(
   r.z = x[2];
 }
 
-template<typename T, std::size_t N>
+template<typename T>
 inline void read_dataset_as_shape(
-  hid_t obj_id, const char* name, xt::xtensor<T, N>& arr, bool indep = false)
+  hid_t obj_id, const char* name, tensor::Tensor<T>& tensor, bool indep = false)
 {
   hid_t dset = open_dataset(obj_id, name);
 
-  // Allocate new array to read data into
-  std::size_t size = 1;
-  for (const auto x : arr.shape())
-    size *= x;
-  vector<T> buffer(size);
-
-  // Read data from attribute
+  // Read data directly into pre-shaped tensor
   read_dataset_lowlevel(
-    dset, nullptr, H5TypeMap<T>::type_id, H5S_ALL, indep, buffer.data());
-
-  // Adapt into xarray
-  arr = xt::adapt(buffer, arr.shape());
+    dset, nullptr, H5TypeMap<T>::type_id, H5S_ALL, indep, tensor.data());
 
   close_dataset(dset);
 }
 
-template<typename T, std::size_t N>
-inline void read_nd_vector(hid_t obj_id, const char* name,
-  xt::xtensor<T, N>& result, bool must_have = false)
+template<typename T>
+inline void read_nd_tensor(hid_t obj_id, const char* name,
+  tensor::Tensor<T>& result, bool must_have = false)
 {
   if (object_exists(obj_id, name)) {
     read_dataset_as_shape(obj_id, name, result, true);
@@ -496,12 +452,16 @@ inline void write_dataset(
     false, buffer.data());
 }
 
-// Template for xarray, xtensor, etc.
-template<typename D>
-inline void write_dataset(
-  hid_t obj_id, const char* name, const xt::xcontainer<D>& arr)
+// Template for Tensor and StaticTensor2D. A SFINAE guard is used here to
+// prevent this template from matching vector/string types that have their own
+// overloads above. A generic Container parameter avoids duplicating the body
+// for both Tensor<T> and StaticTensor2D<T,R,C>.
+template<typename Container,
+  typename =
+    std::enable_if_t<tensor::is_tensor<std::decay_t<Container>>::value>>
+inline void write_dataset(hid_t obj_id, const char* name, const Container& arr)
 {
-  using T = typename D::value_type;
+  using T = typename std::decay_t<Container>::value_type;
   auto s = arr.shape();
   vector<hsize_t> dims {s.cbegin(), s.cend()};
   write_dataset_lowlevel(obj_id, dims.size(), dims.data(), name,
diff --git a/include/openmc/material.h b/include/openmc/material.h
index c10f25551..3967c3687 100644
--- a/include/openmc/material.h
+++ b/include/openmc/material.h
@@ -5,8 +5,8 @@
 #include <unordered_map>
 
 #include "openmc/span.h"
+#include "openmc/tensor.h"
 #include "pugixml.hpp"
-#include "xtensor/xtensor.hpp"
 #include <hdf5.h>
 
 #include "openmc/bremsstrahlung.h"
@@ -189,7 +189,7 @@ public:
   vector<int> nuclide_;                 //!< Indices in nuclides vector
   vector<int> element_;                 //!< Indices in elements vector
   NCrystalMat ncrystal_mat_;            //!< NCrystal material object
-  xt::xtensor<double, 1> atom_density_; //!< Nuclide atom density in [atom/b-cm]
+  tensor::Tensor<double> atom_density_; //!< Nuclide atom density in [atom/b-cm]
   double density_;                      //!< Total atom density in [atom/b-cm]
   double density_gpcc_;                 //!< Total atom density in [g/cm^3]
   double charge_density_;               //!< Total charge density in [e/b-cm]
diff --git a/include/openmc/mesh.h b/include/openmc/mesh.h
index 5dc327fe3..0d8189caa 100644
--- a/include/openmc/mesh.h
+++ b/include/openmc/mesh.h
@@ -8,8 +8,8 @@
 #include <unordered_map>
 
 #include "hdf5.h"
+#include "openmc/tensor.h"
 #include "pugixml.hpp"
-#include "xtensor/xtensor.hpp"
 
 #include "openmc/bounding_box.h"
 #include "openmc/error.h"
@@ -284,8 +284,8 @@ public:
   virtual Position upper_right() const = 0;
 
   // Data members
-  xt::xtensor<double, 1> lower_left_;  //!< Lower-left coordinates of mesh
-  xt::xtensor<double, 1> upper_right_; //!< Upper-right coordinates of mesh
+  tensor::Tensor<double> lower_left_;  //!< Lower-left coordinates of mesh
+  tensor::Tensor<double> upper_right_; //!< Upper-right coordinates of mesh
   int id_ {-1};                        //!< Mesh ID
   std::string name_;                   //!< User-specified name
   int n_dimension_ {-1};               //!< Number of dimensions
@@ -348,7 +348,7 @@ public:
   //! \param[in] Pointer to bank sites
   //! \param[in] Number of bank sites
   //! \param[out] Whether any bank sites are outside the mesh
-  xt::xtensor<double, 1> count_sites(
+  tensor::Tensor<double> count_sites(
     const SourceSite* bank, int64_t length, bool* outside) const;
 
   //! Get bin given mesh indices
@@ -419,8 +419,8 @@ public:
   //! Get a label for the mesh bin
   std::string bin_label(int bin) const override;
 
-  //! Get shape as xt::xtensor
-  xt::xtensor<int, 1> get_x_shape() const;
+  //! Get mesh dimensions as a tensor
+  tensor::Tensor<int> get_shape_tensor() const;
 
   double volume(int bin) const override
   {
@@ -515,7 +515,7 @@ public:
   //! \param[in] bank Array of bank sites
   //! \param[out] Whether any bank sites are outside the mesh
   //! \return Array indicating number of sites in each mesh/energy bin
-  xt::xtensor<double, 1> count_sites(
+  tensor::Tensor<double> count_sites(
     const SourceSite* bank, int64_t length, bool* outside) const;
 
   //! Return the volume for a given mesh index
@@ -526,7 +526,7 @@ public:
   // Data members
   double volume_frac_;           //!< Volume fraction of each mesh element
   double element_volume_;        //!< Volume of each mesh element
-  xt::xtensor<double, 1> width_; //!< Width of each mesh element
+  tensor::Tensor<double> width_; //!< Width of each mesh element
 };
 
 class RectilinearMesh : public StructuredMesh {
diff --git a/include/openmc/mgxs.h b/include/openmc/mgxs.h
index 43505f432..5d8ff58c2 100644
--- a/include/openmc/mgxs.h
+++ b/include/openmc/mgxs.h
@@ -6,7 +6,7 @@
 
 #include <string>
 
-#include "xtensor/xtensor.hpp"
+#include "openmc/tensor.h"
 
 #include "openmc/constants.h"
 #include "openmc/hdf5_interface.h"
@@ -22,7 +22,7 @@ namespace openmc {
 
 class Mgxs {
 private:
-  xt::xtensor<double, 1> kTs; // temperature in eV (k * T)
+  tensor::Tensor<double> kTs; // temperature in eV (k * T)
   AngleDistributionType
     scatter_format;       // flag for if this is legendre, histogram, or tabular
   int num_groups;         // number of energy groups
diff --git a/include/openmc/nuclide.h b/include/openmc/nuclide.h
index 58d833939..7a8b2acad 100644
--- a/include/openmc/nuclide.h
+++ b/include/openmc/nuclide.h
@@ -96,7 +96,7 @@ public:
   // Temperature dependent cross section data
   vector<double> kTs_;                //!< temperatures in eV (k*T)
   vector<EnergyGrid> grid_;           //!< Energy grid at each temperature
-  vector<xt::xtensor<double, 2>> xs_; //!< Cross sections at each temperature
+  vector<tensor::Tensor<double>> xs_; //!< Cross sections at each temperature
 
   // Multipole data
   unique_ptr<WindowedMultipole> multipole_;
diff --git a/include/openmc/photon.h b/include/openmc/photon.h
index f6f28a4df..93c6dba53 100644
--- a/include/openmc/photon.h
+++ b/include/openmc/photon.h
@@ -6,7 +6,7 @@
 #include "openmc/particle.h"
 #include "openmc/vector.h"
 
-#include "xtensor/xtensor.hpp"
+#include "openmc/tensor.h"
 #include <hdf5.h>
 
 #include <string>
@@ -62,14 +62,14 @@ public:
   int64_t index_;    //!< Index in global elements vector
 
   // Microscopic cross sections
-  xt::xtensor<double, 1> energy_;
-  xt::xtensor<double, 1> coherent_;
-  xt::xtensor<double, 1> incoherent_;
-  xt::xtensor<double, 1> photoelectric_total_;
-  xt::xtensor<double, 1> pair_production_total_;
-  xt::xtensor<double, 1> pair_production_electron_;
-  xt::xtensor<double, 1> pair_production_nuclear_;
-  xt::xtensor<double, 1> heating_;
+  tensor::Tensor<double> energy_;
+  tensor::Tensor<double> coherent_;
+  tensor::Tensor<double> incoherent_;
+  tensor::Tensor<double> photoelectric_total_;
+  tensor::Tensor<double> pair_production_total_;
+  tensor::Tensor<double> pair_production_electron_;
+  tensor::Tensor<double> pair_production_nuclear_;
+  tensor::Tensor<double> heating_;
 
   // Form factors
   Tabulated1D incoherent_form_factor_;
@@ -81,27 +81,27 @@ public:
   // stored separately to improve memory access pattern when calculating the
   // total cross section
   vector<ElectronSubshell> shells_;
-  xt::xtensor<double, 2> cross_sections_;
+  tensor::Tensor<double> cross_sections_;
 
   // Compton profile data
-  xt::xtensor<double, 2> profile_pdf_;
-  xt::xtensor<double, 2> profile_cdf_;
-  xt::xtensor<double, 1> binding_energy_;
-  xt::xtensor<double, 1> electron_pdf_;
+  tensor::Tensor<double> profile_pdf_;
+  tensor::Tensor<double> profile_cdf_;
+  tensor::Tensor<double> binding_energy_;
+  tensor::Tensor<double> electron_pdf_;
 
   // Map subshells from Compton profile data obtained from Biggs et al,
   // "Hartree-Fock Compton profiles for the elements" to ENDF/B atomic
   // relaxation data
-  xt::xtensor<int, 1> subshell_map_;
+  tensor::Tensor<int> subshell_map_;
 
   // Stopping power data
   double I_; // mean excitation energy
-  xt::xtensor<int, 1> n_electrons_;
-  xt::xtensor<double, 1> ionization_energy_;
-  xt::xtensor<double, 1> stopping_power_radiative_;
+  tensor::Tensor<int> n_electrons_;
+  tensor::Tensor<double> ionization_energy_;
+  tensor::Tensor<double> stopping_power_radiative_;
 
   // Bremsstrahlung scaled DCS
-  xt::xtensor<double, 2> dcs_;
+  tensor::Tensor<double> dcs_;
 
   // Whether atomic relaxation data is present
   bool has_atomic_relaxation_ {false};
@@ -137,7 +137,7 @@ void free_memory_photon();
 
 namespace data {
 
-extern xt::xtensor<double, 1>
+extern tensor::Tensor<double>
   compton_profile_pz; //! Compton profile momentum grid
 
 //! Photon interaction data for each element
diff --git a/include/openmc/plot.h b/include/openmc/plot.h
index 3813101c6..cd6be43b7 100644
--- a/include/openmc/plot.h
+++ b/include/openmc/plot.h
@@ -6,8 +6,8 @@
 #include <unordered_map>
 #include <unordered_set>
 
+#include "openmc/tensor.h"
 #include "pugixml.hpp"
-#include "xtensor/xarray.hpp"
 
 #include "hdf5.h"
 #include "openmc/cell.h"
@@ -90,7 +90,7 @@ const RGBColor BLACK {0, 0, 0};
  * visualized.
  */
 
-typedef xt::xtensor<RGBColor, 2> ImageData;
+typedef tensor::Tensor<RGBColor> ImageData;
 class PlottableInterface {
 public:
   PlottableInterface() = default;
@@ -154,7 +154,7 @@ struct IdData {
   void set_overlap(size_t y, size_t x);
 
   // Members
-  xt::xtensor<int32_t, 3> data_; //!< 2D array of cell & material ids
+  tensor::Tensor<int32_t> data_; //!< 2D array of cell & material ids
 };
 
 struct PropertyData {
@@ -166,7 +166,7 @@ struct PropertyData {
   void set_overlap(size_t y, size_t x);
 
   // Members
-  xt::xtensor<double, 3> data_; //!< 2D array of temperature & density data
+  tensor::Tensor<double> data_; //!< 2D array of temperature & density data
 };
 
 //===============================================================================
diff --git a/include/openmc/random_ray/flat_source_domain.h b/include/openmc/random_ray/flat_source_domain.h
index 693093683..c40982712 100644
--- a/include/openmc/random_ray/flat_source_domain.h
+++ b/include/openmc/random_ray/flat_source_domain.h
@@ -178,10 +178,10 @@ protected:
   // Volumes for each tally and bin/score combination. This intermediate data
   // structure is used when tallying quantities that must be normalized by
   // volume (i.e., flux). The vector is index by tally index, while the inner 2D
-  // xtensor is indexed by bin index and score index in a similar manner to the
+  // tensor is indexed by bin index and score index in a similar manner to the
   // results tensor in the Tally class, though without the third dimension, as
   // SUM and SUM_SQ do not need to be tracked.
-  vector<xt::xtensor<double, 2>> tally_volumes_;
+  vector<tensor::Tensor<double>> tally_volumes_;
 
 }; // class FlatSourceDomain
 
diff --git a/include/openmc/scattdata.h b/include/openmc/scattdata.h
index a75ef09d9..bea881402 100644
--- a/include/openmc/scattdata.h
+++ b/include/openmc/scattdata.h
@@ -4,7 +4,7 @@
 #ifndef OPENMC_SCATTDATA_H
 #define OPENMC_SCATTDATA_H
 
-#include "xtensor/xtensor.hpp"
+#include "openmc/tensor.h"
 
 #include "openmc/constants.h"
 #include "openmc/vector.h"
@@ -26,23 +26,23 @@ public:
 
 protected:
   //! \brief Initializes the attributes of the base class.
-  void base_init(int order, const xt::xtensor<int, 1>& in_gmin,
-    const xt::xtensor<int, 1>& in_gmax, const double_2dvec& in_energy,
+  void base_init(int order, const tensor::Tensor<int>& in_gmin,
+    const tensor::Tensor<int>& in_gmax, const double_2dvec& in_energy,
     const double_2dvec& in_mult);
 
   //! \brief Combines microscopic ScattDatas into a macroscopic one.
   void base_combine(size_t max_order, size_t order_dim,
     const vector<ScattData*>& those_scatts, const vector<double>& scalars,
-    xt::xtensor<int, 1>& in_gmin, xt::xtensor<int, 1>& in_gmax,
+    tensor::Tensor<int>& in_gmin, tensor::Tensor<int>& in_gmax,
     double_2dvec& sparse_mult, double_3dvec& sparse_scatter);
 
 public:
   double_2dvec energy;            // Normalized p0 matrix for sampling Eout
   double_2dvec mult;              // nu-scatter multiplication (nu-scatt/scatt)
   double_3dvec dist;              // Angular distribution
-  xt::xtensor<int, 1> gmin;       // minimum outgoing group
-  xt::xtensor<int, 1> gmax;       // maximum outgoing group
-  xt::xtensor<double, 1> scattxs; // Isotropic Sigma_{s,g_{in}}
+  tensor::Tensor<int> gmin;       // minimum outgoing group
+  tensor::Tensor<int> gmax;       // maximum outgoing group
+  tensor::Tensor<double> scattxs; // Isotropic Sigma_{s,g_{in}}
 
   //! \brief Calculates the value of normalized f(mu).
   //!
@@ -72,8 +72,8 @@ public:
   //! @param in_gmax List of maximum outgoing groups for every incoming group
   //! @param in_mult Input sparse multiplicity matrix
   //! @param coeffs Input sparse scattering matrix
-  virtual void init(const xt::xtensor<int, 1>& in_gmin,
-    const xt::xtensor<int, 1>& in_gmax, const double_2dvec& in_mult,
+  virtual void init(const tensor::Tensor<int>& in_gmin,
+    const tensor::Tensor<int>& in_gmax, const double_2dvec& in_mult,
     const double_3dvec& coeffs) = 0;
 
   //! \brief Combines the microscopic data.
@@ -96,7 +96,7 @@ public:
   //! @param max_order If Legendre this is the maximum value of "n" in "Pn"
   //!   requested; ignored otherwise.
   //! @return The dense scattering matrix.
-  virtual xt::xtensor<double, 3> get_matrix(size_t max_order) = 0;
+  virtual tensor::Tensor<double> get_matrix(size_t max_order) = 0;
 
   //! \brief Samples the outgoing energy from the ScattData info.
   //!
@@ -135,8 +135,8 @@ protected:
     ScattDataLegendre& leg, ScattDataTabular& tab);
 
 public:
-  void init(const xt::xtensor<int, 1>& in_gmin,
-    const xt::xtensor<int, 1>& in_gmax, const double_2dvec& in_mult,
+  void init(const tensor::Tensor<int>& in_gmin,
+    const tensor::Tensor<int>& in_gmax, const double_2dvec& in_mult,
     const double_3dvec& coeffs) override;
 
   void combine(const vector<ScattData*>& those_scatts,
@@ -153,7 +153,7 @@ public:
 
   size_t get_order() override { return dist[0][0].size() - 1; };
 
-  xt::xtensor<double, 3> get_matrix(size_t max_order) override;
+  tensor::Tensor<double> get_matrix(size_t max_order) override;
 };
 
 //==============================================================================
@@ -164,13 +164,13 @@ public:
 class ScattDataHistogram : public ScattData {
 
 protected:
-  xt::xtensor<double, 1> mu; // Angle distribution mu bin boundaries
+  tensor::Tensor<double> mu; // Angle distribution mu bin boundaries
   double dmu;                // Quick storage of the mu spacing
   double_3dvec fmu;          // The angular distribution histogram
 
 public:
-  void init(const xt::xtensor<int, 1>& in_gmin,
-    const xt::xtensor<int, 1>& in_gmax, const double_2dvec& in_mult,
+  void init(const tensor::Tensor<int>& in_gmin,
+    const tensor::Tensor<int>& in_gmax, const double_2dvec& in_mult,
     const double_3dvec& coeffs) override;
 
   void combine(const vector<ScattData*>& those_scatts,
@@ -183,7 +183,7 @@ public:
 
   size_t get_order() override { return dist[0][0].size(); };
 
-  xt::xtensor<double, 3> get_matrix(size_t max_order) override;
+  tensor::Tensor<double> get_matrix(size_t max_order) override;
 };
 
 //==============================================================================
@@ -194,7 +194,7 @@ public:
 class ScattDataTabular : public ScattData {
 
 protected:
-  xt::xtensor<double, 1> mu; // Angle distribution mu grid points
+  tensor::Tensor<double> mu; // Angle distribution mu grid points
   double dmu;                // Quick storage of the mu spacing
   double_3dvec fmu;          // The angular distribution function
 
@@ -204,8 +204,8 @@ protected:
     ScattDataLegendre& leg, ScattDataTabular& tab);
 
 public:
-  void init(const xt::xtensor<int, 1>& in_gmin,
-    const xt::xtensor<int, 1>& in_gmax, const double_2dvec& in_mult,
+  void init(const tensor::Tensor<int>& in_gmin,
+    const tensor::Tensor<int>& in_gmax, const double_2dvec& in_mult,
     const double_3dvec& coeffs) override;
 
   void combine(const vector<ScattData*>& those_scatts,
@@ -218,7 +218,7 @@ public:
 
   size_t get_order() override { return dist[0][0].size(); };
 
-  xt::xtensor<double, 3> get_matrix(size_t max_order) override;
+  tensor::Tensor<double> get_matrix(size_t max_order) override;
 };
 
 //==============================================================================
diff --git a/include/openmc/secondary_correlated.h b/include/openmc/secondary_correlated.h
index 6905c38e3..b4b7f8480 100644
--- a/include/openmc/secondary_correlated.h
+++ b/include/openmc/secondary_correlated.h
@@ -5,7 +5,7 @@
 #define OPENMC_SECONDARY_CORRELATED_H
 
 #include "hdf5.h"
-#include "xtensor/xtensor.hpp"
+#include "openmc/tensor.h"
 
 #include "openmc/angle_energy.h"
 #include "openmc/distribution.h"
@@ -25,9 +25,9 @@ public:
   struct CorrTable {
     int n_discrete;                    //!< Number of discrete lines
     Interpolation interpolation;       //!< Interpolation law
-    xt::xtensor<double, 1> e_out;      //!< Outgoing energies [eV]
-    xt::xtensor<double, 1> p;          //!< Probability density
-    xt::xtensor<double, 1> c;          //!< Cumulative distribution
+    tensor::Tensor<double> e_out;      //!< Outgoing energies [eV]
+    tensor::Tensor<double> p;          //!< Probability density
+    tensor::Tensor<double> c;          //!< Cumulative distribution
     vector<unique_ptr<Tabular>> angle; //!< Angle distribution
   };
 
diff --git a/include/openmc/secondary_kalbach.h b/include/openmc/secondary_kalbach.h
index 83806d352..c9c5849bc 100644
--- a/include/openmc/secondary_kalbach.h
+++ b/include/openmc/secondary_kalbach.h
@@ -5,7 +5,7 @@
 #define OPENMC_SECONDARY_KALBACH_H
 
 #include "hdf5.h"
-#include "xtensor/xtensor.hpp"
+#include "openmc/tensor.h"
 
 #include "openmc/angle_energy.h"
 #include "openmc/constants.h"
@@ -37,11 +37,11 @@ private:
   struct KMTable {
     int n_discrete;               //!< Number of discrete lines
     Interpolation interpolation;  //!< Interpolation law
-    xt::xtensor<double, 1> e_out; //!< Outgoing energies [eV]
-    xt::xtensor<double, 1> p;     //!< Probability density
-    xt::xtensor<double, 1> c;     //!< Cumulative distribution
-    xt::xtensor<double, 1> r;     //!< Pre-compound fraction
-    xt::xtensor<double, 1> a;     //!< Parameterized function
+    tensor::Tensor<double> e_out; //!< Outgoing energies [eV]
+    tensor::Tensor<double> p;     //!< Probability density
+    tensor::Tensor<double> c;     //!< Cumulative distribution
+    tensor::Tensor<double> r;     //!< Pre-compound fraction
+    tensor::Tensor<double> a;     //!< Parameterized function
   };
 
   int n_region_;                        //!< Number of interpolation regions
diff --git a/include/openmc/secondary_thermal.h b/include/openmc/secondary_thermal.h
index 5b18902af..4f33c0e76 100644
--- a/include/openmc/secondary_thermal.h
+++ b/include/openmc/secondary_thermal.h
@@ -9,7 +9,7 @@
 #include "openmc/secondary_correlated.h"
 #include "openmc/vector.h"
 
-#include "xtensor/xtensor.hpp"
+#include "openmc/tensor.h"
 #include <hdf5.h>
 
 namespace openmc {
@@ -83,7 +83,7 @@ public:
 
 private:
   const vector<double>& energy_;  //!< Energies at which cosines are tabulated
-  xt::xtensor<double, 2> mu_out_; //!< Cosines for each incident energy
+  tensor::Tensor<double> mu_out_; //!< Cosines for each incident energy
 };
 
 //==============================================================================
@@ -109,9 +109,9 @@ public:
 
 private:
   const vector<double>& energy_; //!< Incident energies
-  xt::xtensor<double, 2>
+  tensor::Tensor<double>
     energy_out_; //!< Outgoing energies for each incident energy
-  xt::xtensor<double, 3>
+  tensor::Tensor<double>
     mu_out_;    //!< Outgoing cosines for each incident/outgoing energy
   bool skewed_; //!< Whether outgoing energy distribution is skewed
 };
@@ -139,10 +139,10 @@ private:
   //! Secondary energy/angle distribution
   struct DistEnergySab {
     std::size_t n_e_out;              //!< Number of outgoing energies
-    xt::xtensor<double, 1> e_out;     //!< Outgoing energies
-    xt::xtensor<double, 1> e_out_pdf; //!< Probability density function
-    xt::xtensor<double, 1> e_out_cdf; //!< Cumulative distribution function
-    xt::xtensor<double, 2> mu; //!< Equiprobable angles at each outgoing energy
+    tensor::Tensor<double> e_out;     //!< Outgoing energies
+    tensor::Tensor<double> e_out_pdf; //!< Probability density function
+    tensor::Tensor<double> e_out_cdf; //!< Cumulative distribution function
+    tensor::Tensor<double> mu; //!< Equiprobable angles at each outgoing energy
   };
 
   vector<double> energy_;              //!< Incident energies
diff --git a/include/openmc/tallies/tally.h b/include/openmc/tallies/tally.h
index 374daff92..6161f823b 100644
--- a/include/openmc/tallies/tally.h
+++ b/include/openmc/tallies/tally.h
@@ -8,9 +8,8 @@
 #include "openmc/tallies/trigger.h"
 #include "openmc/vector.h"
 
+#include "openmc/tensor.h"
 #include "pugixml.hpp"
-#include "xtensor/xfixed.hpp"
-#include "xtensor/xtensor.hpp"
 
 #include <string>
 #include <unordered_map>
@@ -55,7 +54,7 @@ public:
 
   void set_nuclides(const vector<std::string>& nuclides);
 
-  const xt::xtensor<double, 3>& results() const { return results_; }
+  const tensor::Tensor<double>& results() const { return results_; }
 
   //! returns vector of indices corresponding to the tally this is called on
   const vector<int32_t>& filters() const { return filters_; }
@@ -125,7 +124,7 @@ public:
   int score_index(const std::string& score) const;
 
   //! Tally results reshaped according to filter sizes
-  xt::xarray<double> get_reshaped_data() const;
+  tensor::Tensor<double> get_reshaped_data() const;
 
   //! A string representing the i-th score on this tally
   std::string score_name(int score_idx) const;
@@ -160,7 +159,7 @@ public:
   //! combination of filters (e.g. specific cell, specific energy group, etc.)
   //! and the second dimension of the array is for scores (e.g. flux, total
   //! reaction rate, fission reaction rate, etc.)
-  xt::xtensor<double, 3> results_;
+  tensor::Tensor<double> results_;
 
   //! True if this tally should be written to statepoint files
   bool writable_ {true};
@@ -220,8 +219,7 @@ extern vector<double> time_grid;
 
 namespace simulation {
 //! Global tallies (such as k-effective estimators)
-extern xt::xtensor_fixed<double, xt::xshape<N_GLOBAL_TALLIES, 3>>
-  global_tallies;
+extern tensor::StaticTensor2D<double, N_GLOBAL_TALLIES, 3> global_tallies;
 
 //! Number of realizations for global tallies
 extern "C" int32_t n_realizations;
@@ -257,12 +255,6 @@ double distance_to_time_boundary(double time, double speed);
 //! Determine which tallies should be active
 void setup_active_tallies();
 
-// Alias for the type returned by xt::adapt(...). N is the dimension of the
-// multidimensional array
-template<std::size_t N>
-using adaptor_type =
-  xt::xtensor_adaptor<xt::xbuffer_adaptor<double*&, xt::no_ownership>, N>;
-
 #ifdef OPENMC_MPI
 //! Collect all tally results onto master process
 void reduce_tally_results();
diff --git a/include/openmc/tensor.h b/include/openmc/tensor.h
new file mode 100644
index 000000000..9d428aaeb
--- /dev/null
+++ b/include/openmc/tensor.h
@@ -0,0 +1,1185 @@
+//! \file tensor.h
+//! \brief Multi-dimensional tensor types for OpenMC.
+//!
+//! Tensor<T> is the primary type: a dynamic-rank owning container that stores
+//! elements contiguously in row-major order.  View<T> is a lightweight
+//! non-owning reference into a Tensor's storage, returned by the slice()
+//! method and flat().  StaticTensor2D<T,R,C> is a small stack-allocated 2D
+//! array used only for simulation::global_tallies.
+//!
+//! Slicing follows numpy conventions: each axis takes an index (rank-reducing),
+//! All (keep entire axis), or Range (keep sub-range).  For example,
+//! arr.slice(0, all, range(2, 5)) is equivalent to numpy's arr[0, :, 2:5].
+//!
+//! View is declared before Tensor because Tensor's methods return View objects.
+
+#ifndef OPENMC_TENSOR_H
+#define OPENMC_TENSOR_H
+
+#include "openmc/vector.h"
+
+#include <algorithm>
+#include <array>
+#include <cmath>
+#include <cstddef>
+#include <cstdint>
+#include <initializer_list>
+#include <limits>
+#include <type_traits>
+
+namespace openmc {
+namespace tensor {
+
+//==============================================================================
+// Forward declarations
+//==============================================================================
+
+template<typename T>
+class Tensor;
+
+template<typename T, size_t R, size_t C>
+class StaticTensor2D;
+
+//==============================================================================
+// Storage type mapping
+//
+// std::vector<bool> is a bit-packed specialization that returns proxy objects
+// instead of real references, which breaks generic code.  storage_type_map
+// redirects bool to unsigned char so that Tensor<bool> stores one byte per
+// element with normal reference semantics.
+//==============================================================================
+
+template<typename T>
+struct storage_type_map {
+  using type = T;
+};
+template<>
+struct storage_type_map<bool> {
+  using type = unsigned char;
+};
+template<typename T>
+using storage_type = typename storage_type_map<T>::type;
+
+//==============================================================================
+// Slice argument types
+//
+// Used with the variadic slice() method on Tensor, View, and StaticTensor2D.
+// Each argument corresponds to one axis: a plain integer fixes that axis at
+// a single index (rank-reducing), All keeps the entire axis, and Range keeps
+// a sub-range.
+//==============================================================================
+
+//! Keep an entire axis (equivalent to numpy's ':' or xtensor's xt::all())
+struct All {};
+constexpr All all {};
+
+//! Sub-range along an axis [start, end)
+struct Range {
+  size_t start;
+  size_t end; // SIZE_MAX means "to end of axis"
+};
+
+//! Create a Range [start, end)
+inline Range range(size_t start, size_t end)
+{
+  return {start, end};
+}
+
+//! Create a Range [0, end)
+inline Range range(size_t end)
+{
+  return {0, end};
+}
+
+namespace detail {
+
+//! Internal: normalized representation of a per-axis slice argument
+struct SliceArg {
+  enum Kind { INDEX, ALL, RANGE } kind;
+  size_t start;
+  size_t end;
+};
+
+inline SliceArg to_slice_arg(All)
+{
+  return {SliceArg::ALL, 0, 0};
+}
+inline SliceArg to_slice_arg(Range r)
+{
+  return {SliceArg::RANGE, r.start, r.end};
+}
+
+template<typename I>
+inline
+  typename std::enable_if<std::is_integral<I>::value || std::is_enum<I>::value,
+    SliceArg>::type
+  to_slice_arg(I i)
+{
+  return {SliceArg::INDEX, static_cast<size_t>(i), 0};
+}
+
+//! Result of a slice computation: pointer offset + new shape/strides
+struct SliceResult {
+  size_t ptr_offset;
+  vector<size_t> shape;
+  vector<size_t> strides;
+};
+
+//! Compute the result of applying slice arguments to shape/strides
+template<typename First, typename... Rest>
+SliceResult compute_slice(const vector<size_t>& shape,
+  const vector<size_t>& strides, First first, Rest... rest)
+{
+  const size_t n = 1 + sizeof...(Rest);
+  SliceArg args[1 + sizeof...(Rest)] = {
+    to_slice_arg(first), to_slice_arg(rest)...};
+
+  size_t offset = 0;
+  vector<size_t> new_shape;
+  vector<size_t> new_strides;
+
+  for (size_t a = 0; a < n; ++a) {
+    switch (args[a].kind) {
+    case SliceArg::INDEX:
+      offset += args[a].start * strides[a];
+      break;
+    case SliceArg::ALL:
+      new_shape.push_back(shape[a]);
+      new_strides.push_back(strides[a]);
+      break;
+    case SliceArg::RANGE: {
+      offset += args[a].start * strides[a];
+      size_t end = (args[a].end == SIZE_MAX) ? shape[a] : args[a].end;
+      new_shape.push_back(end - args[a].start);
+      new_strides.push_back(strides[a]);
+      break;
+    }
+    }
+  }
+
+  // Trailing axes not covered by arguments are implicitly All.
+  // This matches numpy: a[i] on a 2D array returns a 1D row.
+  for (size_t a = n; a < shape.size(); ++a) {
+    new_shape.push_back(shape[a]);
+    new_strides.push_back(strides[a]);
+  }
+
+  return {offset, std::move(new_shape), std::move(new_strides)};
+}
+
+} // namespace detail
+
+//==============================================================================
+// View<T>: a non-owning N-dimensional view into a tensor's storage.
+//
+// Holds a base pointer, shape, and strides (in elements).  Supports arbitrary
+// rank and multi-axis slicing via the variadic slice() method.
+//==============================================================================
+
+template<typename T>
+class View {
+public:
+  //--------------------------------------------------------------------------
+  // Constructors
+
+  View(T* data, vector<size_t> shape, vector<size_t> strides)
+    : data_(data), shape_(std::move(shape)), strides_(std::move(strides))
+  {}
+
+  // Explicitly default copy/move constructors (declaring copy assignment
+  // below would otherwise suppress the implicit move constructor).
+  View(const View&) = default;
+  View(View&&) = default;
+
+  //--------------------------------------------------------------------------
+  // Indexing
+
+  //! Multi-index element access (1D, 2D, 3D, ...)
+  template<typename... Indices>
+  T& operator()(Indices... indices)
+  {
+    const size_t idx[] = {static_cast<size_t>(indices)...};
+    size_t off = 0;
+    for (size_t d = 0; d < sizeof...(Indices); ++d)
+      off += idx[d] * strides_[d];
+    return data_[off];
+  }
+
+  template<typename... Indices>
+  const T& operator()(Indices... indices) const
+  {
+    const size_t idx[] = {static_cast<size_t>(indices)...};
+    size_t off = 0;
+    for (size_t d = 0; d < sizeof...(Indices); ++d)
+      off += idx[d] * strides_[d];
+    return data_[off];
+  }
+
+  //! Flat logical index (row-major order)
+  T& operator[](size_t i) { return data_[flat_to_offset(i)]; }
+  const T& operator[](size_t i) const { return data_[flat_to_offset(i)]; }
+
+  //--------------------------------------------------------------------------
+  // Accessors
+
+  size_t size() const
+  {
+    size_t s = 1;
+    for (auto d : shape_)
+      s *= d;
+    return s;
+  }
+  size_t ndim() const { return shape_.size(); }
+  size_t shape(size_t axis) const { return shape_[axis]; }
+  const vector<size_t>& shape_vec() const { return shape_; }
+  T* data() { return data_; }
+  const T* data() const { return data_; }
+
+  //--------------------------------------------------------------------------
+  // View accessors
+
+  //! Multi-axis slice.  Each argument corresponds to one axis and is either:
+  //!   - an integer (fixes that axis, rank-reducing)
+  //!   - All (keeps entire axis)
+  //!   - Range (keeps sub-range along that axis)
+  //! Example: v.slice(0, all, range(2, 5)) == numpy v[0, :, 2:5]
+  template<typename First, typename... Rest>
+  View<T> slice(First first, Rest... rest)
+  {
+    auto r = detail::compute_slice(shape_, strides_, first, rest...);
+    return {data_ + r.ptr_offset, std::move(r.shape), std::move(r.strides)};
+  }
+
+  template<typename First, typename... Rest>
+  View<const T> slice(First first, Rest... rest) const
+  {
+    auto r = detail::compute_slice(shape_, strides_, first, rest...);
+    return {data_ + r.ptr_offset, std::move(r.shape), std::move(r.strides)};
+  }
+
+  //--------------------------------------------------------------------------
+  // Assignment operators
+
+  //! Copy assignment: element-wise deep copy (writes through data pointer).
+  //! Without this, the compiler's implicit copy assignment just copies the
+  //! View metadata (pointer, shape, strides) instead of the viewed data.
+  View& operator=(const View& other)
+  {
+    size_t n = size();
+    for (size_t i = 0; i < n; ++i)
+      data_[flat_to_offset(i)] = other[i];
+    return *this;
+  }
+
+  //! Fill all elements with a scalar
+  View& operator=(T val)
+  {
+    size_t n = size();
+    for (size_t i = 0; i < n; ++i)
+      data_[flat_to_offset(i)] = val;
+    return *this;
+  }
+
+  //! Assignment from initializer_list (for 1D views)
+  View& operator=(std::initializer_list<T> vals)
+  {
+    auto it = vals.begin();
+    for (size_t i = 0; i < size() && it != vals.end(); ++i, ++it)
+      data_[flat_to_offset(i)] = *it;
+    return *this;
+  }
+
+  //! Assignment from another View
+  template<typename U>
+  View& operator=(const View<U>& other)
+  {
+    size_t n = size();
+    for (size_t i = 0; i < n; ++i)
+      data_[flat_to_offset(i)] = other[i];
+    return *this;
+  }
+
+  //! Assignment from Tensor (forward-declared, defined after Tensor)
+  template<typename U>
+  View& operator=(const Tensor<U>& other);
+
+  //! Compound addition from Tensor (forward-declared, defined after Tensor)
+  template<typename U>
+  View& operator+=(const Tensor<U>& o);
+
+  //! Compound multiply by scalar
+  View& operator*=(T val)
+  {
+    size_t n = size();
+    for (size_t i = 0; i < n; ++i)
+      data_[flat_to_offset(i)] *= val;
+    return *this;
+  }
+
+  //! Compound divide by scalar
+  View& operator/=(T val)
+  {
+    size_t n = size();
+    for (size_t i = 0; i < n; ++i)
+      data_[flat_to_offset(i)] /= val;
+    return *this;
+  }
+
+  //--------------------------------------------------------------------------
+  // Reductions
+
+  //! Sum of all elements
+  T sum() const
+  {
+    // remove_const needed so accumulator is mutable when T is const-qualified
+    std::remove_const_t<T> s = 0;
+    size_t n = size();
+    for (size_t i = 0; i < n; ++i)
+      s += data_[flat_to_offset(i)];
+    return s;
+  }
+
+  //--------------------------------------------------------------------------
+  // Iterators
+  //
+  // Lightweight row-major iterator parameterized on pointer type (Ptr).
+  // Stores a flat logical position and converts to a physical offset on each
+  // dereference via divmod over shape/strides.  For contiguous 1D views (the
+  // common case) the divmod chain reduces to a single multiply-by-1, which
+  // the compiler optimizes away.
+  //
+  // view_iterator<T*>       = mutable iterator  (from non-const View)
+  // view_iterator<const T*> = read-only iterator (from const View)
+
+  template<typename Ptr>
+  class view_iterator {
+    Ptr base_;
+    size_t count_;
+    const size_t* shape_;
+    const size_t* strides_;
+    size_t ndim_;
+
+  public:
+    using iterator_category = std::random_access_iterator_tag;
+    using value_type = std::remove_const_t<T>;
+    using difference_type = std::ptrdiff_t;
+    using pointer = Ptr;
+    using reference = decltype(*std::declval<Ptr>());
+
+    view_iterator(Ptr base, size_t count, const View* v)
+      : base_(base), count_(count), shape_(v->shape_.data()),
+        strides_(v->strides_.data()), ndim_(v->shape_.size())
+    {}
+
+    reference operator*() const { return base_[offset()]; }
+    reference operator[](difference_type n) const
+    {
+      return base_[offset_of(count_ + n)];
+    }
+    view_iterator& operator++()
+    {
+      ++count_;
+      return *this;
+    }
+    view_iterator operator++(int)
+    {
+      auto tmp = *this;
+      ++count_;
+      return tmp;
+    }
+    view_iterator& operator--()
+    {
+      --count_;
+      return *this;
+    }
+    view_iterator operator+(difference_type n) const
+    {
+      auto tmp = *this;
+      tmp.count_ += n;
+      return tmp;
+    }
+    view_iterator operator-(difference_type n) const
+    {
+      auto tmp = *this;
+      tmp.count_ -= n;
+      return tmp;
+    }
+    difference_type operator-(const view_iterator& o) const
+    {
+      return static_cast<difference_type>(count_) -
+             static_cast<difference_type>(o.count_);
+    }
+    view_iterator& operator+=(difference_type n)
+    {
+      count_ += n;
+      return *this;
+    }
+    view_iterator& operator-=(difference_type n)
+    {
+      count_ -= n;
+      return *this;
+    }
+    bool operator==(const view_iterator& o) const { return count_ == o.count_; }
+    bool operator!=(const view_iterator& o) const { return count_ != o.count_; }
+    bool operator<(const view_iterator& o) const { return count_ < o.count_; }
+    bool operator>(const view_iterator& o) const { return count_ > o.count_; }
+    bool operator<=(const view_iterator& o) const { return count_ <= o.count_; }
+    bool operator>=(const view_iterator& o) const { return count_ >= o.count_; }
+    friend view_iterator operator+(difference_type n, const view_iterator& it)
+    {
+      return it + n;
+    }
+
+  private:
+    size_t offset() const { return offset_of(count_); }
+    size_t offset_of(size_t flat) const
+    {
+      size_t off = 0;
+      for (int d = static_cast<int>(ndim_) - 1; d >= 0; --d) {
+        off += (flat % shape_[d]) * strides_[d];
+        flat /= shape_[d];
+      }
+      return off;
+    }
+  };
+
+  using iterator = view_iterator<T*>;
+  using const_iterator = view_iterator<const T*>;
+
+  iterator begin() { return {data_, 0, this}; }
+  iterator end() { return {data_, size(), this}; }
+  const_iterator begin() const { return cbegin(); }
+  const_iterator end() const { return cend(); }
+  const_iterator cbegin() const { return {data_, 0, this}; }
+  const_iterator cend() const { return {data_, size(), this}; }
+
+private:
+  //! Convert a logical flat index (row-major) to a physical element offset
+  size_t flat_to_offset(size_t flat) const
+  {
+    size_t off = 0;
+    for (int d = static_cast<int>(shape_.size()) - 1; d >= 0; --d) {
+      off += (flat % shape_[d]) * strides_[d];
+      flat /= shape_[d];
+    }
+    return off;
+  }
+
+  T* data_;
+  vector<size_t> shape_;
+  vector<size_t> strides_;
+};
+
+//==============================================================================
+// Tensor<T>: dynamic-rank N-dimensional tensor.
+//
+// Stores elements in a contiguous row-major vector<storage_type<T>>
+// with a dynamic shape.
+//==============================================================================
+
+template<typename T>
+class Tensor {
+public:
+  using value_type = T;
+  using stored_type = storage_type<T>;
+  using iterator = typename vector<stored_type>::iterator;
+  using const_iterator = typename vector<stored_type>::const_iterator;
+
+  //--------------------------------------------------------------------------
+  // Constructors
+
+  Tensor() = default;
+
+  //! Construct with shape (uninitialized for arithmetic types via vector
+  //! resize)
+  explicit Tensor(vector<size_t> shape)
+    : shape_(std::move(shape)), data_(compute_size())
+  {}
+
+  //! Construct with shape and fill value
+  Tensor(vector<size_t> shape, T fill)
+    : shape_(std::move(shape)), data_(compute_size(), fill)
+  {}
+
+  //! Construct from initializer_list shape
+  explicit Tensor(std::initializer_list<size_t> shape)
+    : shape_(shape), data_(compute_size())
+  {}
+
+  //! Construct from initializer_list shape with fill
+  Tensor(std::initializer_list<size_t> shape, T fill)
+    : shape_(shape), data_(compute_size(), fill)
+  {}
+
+  //! 1D copy from raw pointer + count
+  Tensor(const T* ptr, size_t count) : shape_({count}), data_(ptr, ptr + count)
+  {}
+
+  //! Copy from View (preserves view's shape)
+  template<typename U>
+  explicit Tensor(const View<U>& v) : shape_(v.shape_vec())
+  {
+    size_t n = v.size();
+    data_.resize(n);
+    for (size_t i = 0; i < n; ++i)
+      data_[i] = v[i];
+  }
+
+  //--------------------------------------------------------------------------
+  // Assignment
+
+  //! Assignment from View
+  template<typename U>
+  Tensor& operator=(const View<U>& v)
+  {
+    shape_ = v.shape_vec();
+    size_t n = v.size();
+    data_.resize(n);
+    for (size_t i = 0; i < n; ++i)
+      data_[i] = v[i];
+    return *this;
+  }
+
+  //! Assignment from initializer_list of values (1D)
+  Tensor& operator=(std::initializer_list<T> vals)
+  {
+    shape_ = {vals.size()};
+    data_.assign(vals.begin(), vals.end());
+    return *this;
+  }
+
+  //--------------------------------------------------------------------------
+  // Accessors
+
+  stored_type* data() { return data_.data(); }
+  const stored_type* data() const { return data_.data(); }
+  size_t size() const { return data_.size(); }
+  const vector<size_t>& shape() const { return shape_; }
+  size_t shape(size_t dim) const
+  {
+    return dim < shape_.size() ? shape_[dim] : 0;
+  }
+  size_t ndim() const { return shape_.size(); }
+  bool empty() const { return data_.empty(); }
+
+  //--------------------------------------------------------------------------
+  // Indexing (row-major)
+
+  template<typename... Indices>
+  stored_type& operator()(Indices... indices)
+  {
+    const size_t idx[] = {static_cast<size_t>(indices)...};
+    size_t off = 0;
+    for (size_t d = 0; d < sizeof...(Indices); ++d)
+      off = off * shape_[d] + idx[d];
+    return data_[off];
+  }
+
+  template<typename... Indices>
+  const stored_type& operator()(Indices... indices) const
+  {
+    const size_t idx[] = {static_cast<size_t>(indices)...};
+    size_t off = 0;
+    for (size_t d = 0; d < sizeof...(Indices); ++d)
+      off = off * shape_[d] + idx[d];
+    return data_[off];
+  }
+
+  stored_type& operator[](size_t i) { return data_[i]; }
+  const stored_type& operator[](size_t i) const { return data_[i]; }
+
+  //! First and last element
+  stored_type& front() { return data_.front(); }
+  const stored_type& front() const { return data_.front(); }
+  stored_type& back() { return data_.back(); }
+  const stored_type& back() const { return data_.back(); }
+
+  //--------------------------------------------------------------------------
+  // Iterators
+
+  iterator begin() { return data_.begin(); }
+  iterator end() { return data_.end(); }
+  const_iterator begin() const { return data_.begin(); }
+  const_iterator end() const { return data_.end(); }
+  const_iterator cbegin() const { return data_.cbegin(); }
+  const_iterator cend() const { return data_.cend(); }
+
+  //--------------------------------------------------------------------------
+  // Mutation
+
+  void resize(const vector<size_t>& shape)
+  {
+    shape_ = shape;
+    data_.resize(compute_size());
+  }
+
+  void resize(std::initializer_list<size_t> shape)
+  {
+    shape_.assign(shape.begin(), shape.end());
+    data_.resize(compute_size());
+  }
+
+  void reshape(const vector<size_t>& new_shape) { shape_ = new_shape; }
+
+  void fill(T val) { std::fill(data_.begin(), data_.end(), val); }
+
+  //--------------------------------------------------------------------------
+  // View accessors
+
+  //! Fix one axis at a given index, returning an (N-1)-dimensional view
+  //! Multi-axis slice.  Each argument corresponds to one axis and is either:
+  //!   - an integer (fixes that axis, rank-reducing)
+  //!   - All (keeps entire axis)
+  //!   - Range (keeps sub-range along that axis)
+  //! Example: t.slice(0, all, range(2, 5)) == numpy t[0, :, 2:5]
+  template<typename First, typename... Rest>
+  View<stored_type> slice(First first, Rest... rest)
+  {
+    auto strides = compute_strides();
+    auto r = detail::compute_slice(shape_, strides, first, rest...);
+    return {
+      data_.data() + r.ptr_offset, std::move(r.shape), std::move(r.strides)};
+  }
+
+  template<typename First, typename... Rest>
+  View<const stored_type> slice(First first, Rest... rest) const
+  {
+    auto strides = compute_strides();
+    auto r = detail::compute_slice(shape_, strides, first, rest...);
+    return {
+      data_.data() + r.ptr_offset, std::move(r.shape), std::move(r.strides)};
+  }
+
+  //! Flat 1D view of all elements
+  View<stored_type> flat()
+  {
+    return {data_.data(), {data_.size()}, {size_t(1)}};
+  }
+  View<const stored_type> flat() const
+  {
+    return {data_.data(), {data_.size()}, {size_t(1)}};
+  }
+
+  //--------------------------------------------------------------------------
+  // Reductions and transforms
+
+  //! Sum of all elements
+  T sum() const
+  {
+    T s = T(0);
+    for (size_t i = 0; i < data_.size(); ++i)
+      s += data_[i];
+    return s;
+  }
+
+  //! Sum along an axis, reducing rank by 1 (defined out-of-line below)
+  Tensor<T> sum(size_t axis) const;
+
+  //! Product of all elements
+  T prod() const
+  {
+    T p = T(1);
+    for (size_t i = 0; i < data_.size(); ++i)
+      p *= data_[i];
+    return p;
+  }
+
+  //! True if any element is nonzero
+  bool any() const
+  {
+    for (size_t i = 0; i < data_.size(); ++i)
+      if (data_[i])
+        return true;
+    return false;
+  }
+
+  //! True if all elements are nonzero
+  bool all() const
+  {
+    for (size_t i = 0; i < data_.size(); ++i)
+      if (!data_[i])
+        return false;
+    return true;
+  }
+
+  //! Flat index of the minimum element
+  size_t argmin() const
+  {
+    return static_cast<size_t>(std::distance(data_.data(),
+      std::min_element(data_.data(), data_.data() + data_.size())));
+  }
+
+  //! Reverse element order along an axis (e.g. flip(0) reverses rows)
+  Tensor flip(size_t axis) const
+  {
+    size_t outer_size = 1;
+    for (size_t d = 0; d < axis; ++d)
+      outer_size *= shape_[d];
+    size_t axis_size = shape_[axis];
+    size_t inner_size = 1;
+    for (size_t d = axis + 1; d < shape_.size(); ++d)
+      inner_size *= shape_[d];
+
+    Tensor r(shape_);
+    for (size_t o = 0; o < outer_size; ++o)
+      for (size_t a = 0; a < axis_size; ++a)
+        for (size_t i = 0; i < inner_size; ++i)
+          r.data_[(o * axis_size + (axis_size - 1 - a)) * inner_size + i] =
+            data_[(o * axis_size + a) * inner_size + i];
+    return r;
+  }
+
+  //--------------------------------------------------------------------------
+  // Operators
+
+  Tensor& operator+=(T val)
+  {
+    for (auto& x : data_)
+      x += val;
+    return *this;
+  }
+  Tensor& operator-=(T val)
+  {
+    for (auto& x : data_)
+      x -= val;
+    return *this;
+  }
+  Tensor& operator*=(T val)
+  {
+    for (auto& x : data_)
+      x *= val;
+    return *this;
+  }
+  Tensor& operator/=(T val)
+  {
+    for (auto& x : data_)
+      x /= val;
+    return *this;
+  }
+  Tensor& operator+=(const Tensor& o)
+  {
+    for (size_t i = 0; i < data_.size(); ++i)
+      data_[i] += o.data_[i];
+    return *this;
+  }
+
+  Tensor operator+(const Tensor& o) const
+  {
+    Tensor r(shape_);
+    for (size_t i = 0; i < data_.size(); ++i)
+      r.data_[i] = data_[i] + o.data_[i];
+    return r;
+  }
+  Tensor operator-(const Tensor& o) const
+  {
+    Tensor r(shape_);
+    for (size_t i = 0; i < data_.size(); ++i)
+      r.data_[i] = data_[i] - o.data_[i];
+    return r;
+  }
+  Tensor operator/(const Tensor& o) const
+  {
+    Tensor r(shape_);
+    for (size_t i = 0; i < data_.size(); ++i)
+      r.data_[i] = data_[i] / o.data_[i];
+    return r;
+  }
+
+  Tensor operator+(T val) const
+  {
+    Tensor r(shape_);
+    for (size_t i = 0; i < data_.size(); ++i)
+      r.data_[i] = data_[i] + val;
+    return r;
+  }
+  Tensor operator-(T val) const
+  {
+    Tensor r(shape_);
+    for (size_t i = 0; i < data_.size(); ++i)
+      r.data_[i] = data_[i] - val;
+    return r;
+  }
+  Tensor operator*(T val) const
+  {
+    Tensor r(shape_);
+    for (size_t i = 0; i < data_.size(); ++i)
+      r.data_[i] = data_[i] * val;
+    return r;
+  }
+
+  Tensor<bool> operator<=(T val) const
+  {
+    Tensor<bool> r(shape_);
+    for (size_t i = 0; i < data_.size(); ++i)
+      r.data()[i] = data_[i] <= val;
+    return r;
+  }
+  Tensor<bool> operator<(T val) const
+  {
+    Tensor<bool> r(shape_);
+    for (size_t i = 0; i < data_.size(); ++i)
+      r.data()[i] = data_[i] < val;
+    return r;
+  }
+  Tensor<bool> operator>=(T val) const
+  {
+    Tensor<bool> r(shape_);
+    for (size_t i = 0; i < data_.size(); ++i)
+      r.data()[i] = data_[i] >= val;
+    return r;
+  }
+  Tensor<bool> operator>(T val) const
+  {
+    Tensor<bool> r(shape_);
+    for (size_t i = 0; i < data_.size(); ++i)
+      r.data()[i] = data_[i] > val;
+    return r;
+  }
+  Tensor<bool> operator<(const Tensor& o) const
+  {
+    Tensor<bool> r(shape_);
+    for (size_t i = 0; i < data_.size(); ++i)
+      r.data()[i] = data_[i] < o.data_[i];
+    return r;
+  }
+
+private:
+  size_t compute_size() const
+  {
+    size_t s = 1;
+    for (auto d : shape_)
+      s *= d;
+    return s;
+  }
+
+  //! Compute row-major strides from shape
+  vector<size_t> compute_strides() const
+  {
+    vector<size_t> strides(shape_.size());
+    if (!shape_.empty()) {
+      strides.back() = 1;
+      for (int d = static_cast<int>(shape_.size()) - 2; d >= 0; --d)
+        strides[d] = strides[d + 1] * shape_[d + 1];
+    }
+    return strides;
+  }
+
+  //--------------------------------------------------------------------------
+  // Data members
+
+  vector<size_t> shape_;
+  vector<storage_type<T>> data_;
+};
+
+//==============================================================================
+// Non-member operators (scalar op tensor)
+//==============================================================================
+
+template<typename T>
+Tensor<T> operator*(T val, const Tensor<T>& arr)
+{
+  return arr * val;
+}
+
+template<typename T>
+Tensor<T> operator+(T val, const Tensor<T>& arr)
+{
+  return arr + val;
+}
+
+// Mixed-type arithmetic: Tensor<T1> op Tensor<T2> -> Tensor<double>
+// A SFINAE guard is used here, as without !is_same Tensor<T> * Tensor<T>
+// would be ambiguous between the member operator* and this non-member function.
+template<typename T1, typename T2,
+  typename = std::enable_if_t<!std::is_same<T1, T2>::value>>
+Tensor<double> operator*(const Tensor<T1>& a, const Tensor<T2>& b)
+{
+  Tensor<double> r(a.shape());
+  for (size_t i = 0; i < a.size(); ++i)
+    r.data()[i] =
+      static_cast<double>(a.data()[i]) * static_cast<double>(b.data()[i]);
+  return r;
+}
+
+// Same SFINAE guard as operator* above.
+template<typename T1, typename T2,
+  typename = std::enable_if_t<!std::is_same<T1, T2>::value>>
+Tensor<double> operator/(const Tensor<T1>& a, const Tensor<T2>& b)
+{
+  Tensor<double> r(a.shape());
+  for (size_t i = 0; i < a.size(); ++i)
+    r.data()[i] =
+      static_cast<double>(a.data()[i]) / static_cast<double>(b.data()[i]);
+  return r;
+}
+
+//==============================================================================
+// Out-of-line method definitions (require complete types)
+//==============================================================================
+
+template<typename T>
+template<typename U>
+View<T>& View<T>::operator=(const Tensor<U>& other)
+{
+  size_t n = size();
+  for (size_t i = 0; i < n; ++i)
+    data_[flat_to_offset(i)] = static_cast<T>(other.data()[i]);
+  return *this;
+}
+
+template<typename T>
+template<typename U>
+View<T>& View<T>::operator+=(const Tensor<U>& o)
+{
+  size_t n = size();
+  for (size_t i = 0; i < n; ++i)
+    data_[flat_to_offset(i)] += o.data()[i];
+  return *this;
+}
+
+template<typename T>
+Tensor<T> Tensor<T>::sum(size_t axis) const
+{
+  // Build output shape (all dims except the summed axis)
+  vector<size_t> out_shape;
+  for (size_t d = 0; d < shape_.size(); ++d)
+    if (d != axis)
+      out_shape.push_back(shape_[d]);
+
+  // Split dimensions into three zones: outer | axis | inner
+  size_t outer_size = 1;
+  for (size_t d = 0; d < axis; ++d)
+    outer_size *= shape_[d];
+  size_t axis_size = shape_[axis];
+  size_t inner_size = 1;
+  for (size_t d = axis + 1; d < shape_.size(); ++d)
+    inner_size *= shape_[d];
+
+  Tensor<T> result(out_shape, T(0));
+  for (size_t o = 0; o < outer_size; ++o)
+    for (size_t a = 0; a < axis_size; ++a)
+      for (size_t i = 0; i < inner_size; ++i)
+        result.data()[o * inner_size + i] +=
+          data_[(o * axis_size + a) * inner_size + i];
+
+  return result;
+}
+
+//==============================================================================
+// StaticTensor2D<T, R, C>: compile-time fixed 2D tensor.
+//==============================================================================
+
+template<typename T, size_t R, size_t C>
+class StaticTensor2D {
+public:
+  using value_type = T;
+
+  //--------------------------------------------------------------------------
+  // Indexing
+
+  //! Templated to accept enum class indices (e.g. GlobalTally, TallyResult)
+  //! which don't implicitly convert to integer types.
+  template<typename I0, typename I1>
+  T& operator()(I0 i, I1 j)
+  {
+    return data_[static_cast<size_t>(i) * C + static_cast<size_t>(j)];
+  }
+  template<typename I0, typename I1>
+  const T& operator()(I0 i, I1 j) const
+  {
+    return data_[static_cast<size_t>(i) * C + static_cast<size_t>(j)];
+  }
+
+  //--------------------------------------------------------------------------
+  // Accessors
+
+  T* data() { return data_; }
+  const T* data() const { return data_; }
+  constexpr size_t size() const { return R * C; }
+  std::array<size_t, 2> shape() const { return {R, C}; }
+
+  //--------------------------------------------------------------------------
+  // Mutation
+
+  void fill(T val) { std::fill(data_, data_ + R * C, val); }
+
+  //--------------------------------------------------------------------------
+  // Iterators
+
+  T* begin() { return data_; }
+  T* end() { return data_ + R * C; }
+  const T* begin() const { return data_; }
+  const T* end() const { return data_ + R * C; }
+
+  //--------------------------------------------------------------------------
+  // View accessors
+
+  //! Multi-axis slice (same interface as Tensor/View).
+  template<typename First, typename... Rest>
+  View<T> slice(First first, Rest... rest)
+  {
+    vector<size_t> sh = {R, C};
+    vector<size_t> st = {C, 1};
+    auto r = detail::compute_slice(sh, st, first, rest...);
+    return {data_ + r.ptr_offset, std::move(r.shape), std::move(r.strides)};
+  }
+  template<typename First, typename... Rest>
+  View<const T> slice(First first, Rest... rest) const
+  {
+    vector<size_t> sh = {R, C};
+    vector<size_t> st = {C, 1};
+    auto r = detail::compute_slice(sh, st, first, rest...);
+    return {data_ + r.ptr_offset, std::move(r.shape), std::move(r.strides)};
+  }
+
+  //! Flat view (1D, contiguous)
+  View<T> flat() { return {data_, {R * C}, {size_t(1)}}; }
+  View<const T> flat() const { return {data_, {R * C}, {size_t(1)}}; }
+
+private:
+  //--------------------------------------------------------------------------
+  // Data members
+
+  T data_[R * C] = {};
+};
+
+//==============================================================================
+// Non-member functions
+//==============================================================================
+
+template<typename T>
+Tensor<T> zeros(std::initializer_list<size_t> shape)
+{
+  vector<size_t> s(shape);
+  return Tensor<T>(std::move(s), T(0));
+}
+
+template<typename T>
+Tensor<T> zeros(const vector<size_t>& shape)
+{
+  return Tensor<T>(shape, T(0));
+}
+
+template<typename T>
+Tensor<T> ones(std::initializer_list<size_t> shape)
+{
+  vector<size_t> s(shape);
+  return Tensor<T>(std::move(s), T(1));
+}
+
+template<typename T>
+Tensor<T> ones(const vector<size_t>& shape)
+{
+  return Tensor<T>(shape, T(1));
+}
+
+template<typename T>
+Tensor<T> zeros_like(const Tensor<T>& o)
+{
+  return Tensor<T>(o.shape(), T(0));
+}
+
+template<typename T, typename V>
+Tensor<T> full_like(const Tensor<T>& o, V val)
+{
+  return Tensor<T>(o.shape(), static_cast<T>(val));
+}
+
+//! Return a 1D tensor of n evenly spaced values from start to stop (inclusive)
+template<typename T>
+Tensor<T> linspace(T start, T stop, size_t n)
+{
+  Tensor<T> result({n});
+  if (n < 2) {
+    result[0] = start;
+    return result;
+  }
+  for (size_t i = 0; i < n; ++i) {
+    result[i] =
+      start + static_cast<T>(i) * (stop - start) / static_cast<T>(n - 1);
+  }
+  return result;
+}
+
+//! Concatenate two 1D tensors end-to-end
+template<typename T>
+Tensor<T> concatenate(const Tensor<T>& a, const Tensor<T>& b)
+{
+  size_t total = a.size() + b.size();
+  Tensor<T> result({total});
+  std::copy(a.data(), a.data() + a.size(), result.data());
+  std::copy(b.data(), b.data() + b.size(), result.data() + a.size());
+  return result;
+}
+
+//! Element-wise natural logarithm
+template<typename T>
+Tensor<T> log(const Tensor<T>& a)
+{
+  Tensor<T> r(a.shape());
+  for (size_t i = 0; i < a.size(); ++i)
+    r.data()[i] = std::log(a.data()[i]);
+  return r;
+}
+
+//! Element-wise absolute value
+template<typename T>
+Tensor<T> abs(const Tensor<T>& a)
+{
+  Tensor<T> r(a.shape());
+  for (size_t i = 0; i < a.size(); ++i)
+    r.data()[i] = std::abs(a.data()[i]);
+  return r;
+}
+
+//! Element-wise conditional: select from true_val where cond is true,
+//! otherwise use false_val
+template<typename T, typename V>
+Tensor<T> where(
+  const Tensor<bool>& cond, const Tensor<T>& true_val, V false_val)
+{
+  Tensor<T> r(cond.shape());
+  for (size_t i = 0; i < cond.size(); ++i)
+    r.data()[i] =
+      cond.data()[i] ? true_val.data()[i] : static_cast<T>(false_val);
+  return r;
+}
+
+//! Replace NaN/Inf values with finite substitutes
+template<typename T>
+Tensor<T> nan_to_num(const Tensor<T>& a, T nan_val = T(0),
+  T posinf_val = std::numeric_limits<T>::max(),
+  T neginf_val = std::numeric_limits<T>::lowest())
+{
+  Tensor<T> r(a.shape());
+  for (size_t i = 0; i < a.size(); ++i) {
+    T val = a.data()[i];
+    if (std::isnan(val))
+      r.data()[i] = nan_val;
+    else if (std::isinf(val))
+      r.data()[i] = val > 0 ? posinf_val : neginf_val;
+    else
+      r.data()[i] = val;
+  }
+  return r;
+}
+
+//==============================================================================
+// Type traits
+//==============================================================================
+
+//! Type trait that is true for Tensor and StaticTensor2D.
+//! Used by hdf5_interface.h to select the correct write_dataset overload.
+template<typename T>
+struct is_tensor : std::false_type {};
+
+template<typename T>
+struct is_tensor<Tensor<T>> : std::true_type {};
+
+template<typename T, size_t R, size_t C>
+struct is_tensor<StaticTensor2D<T, R, C>> : std::true_type {};
+
+} // namespace tensor
+} // namespace openmc
+
+#endif // OPENMC_TENSOR_H
diff --git a/include/openmc/thermal.h b/include/openmc/thermal.h
index de0767d0a..86254b923 100644
--- a/include/openmc/thermal.h
+++ b/include/openmc/thermal.h
@@ -5,7 +5,7 @@
 #include <string>
 #include <unordered_map>
 
-#include "xtensor/xtensor.hpp"
+#include "openmc/tensor.h"
 
 #include "openmc/angle_energy.h"
 #include "openmc/endf.h"
diff --git a/include/openmc/urr.h b/include/openmc/urr.h
index 1e6037158..d40c2aff7 100644
--- a/include/openmc/urr.h
+++ b/include/openmc/urr.h
@@ -3,7 +3,7 @@
 #ifndef OPENMC_URR_H
 #define OPENMC_URR_H
 
-#include "xtensor/xtensor.hpp"
+#include "openmc/tensor.h"
 
 #include "openmc/constants.h"
 #include "openmc/hdf5_interface.h"
@@ -40,11 +40,11 @@ public:
    * below, obviously, values of the CDF are stored. For the xs_values
    * variable, the columns line up with the index of cdf_values.
    */
-  xt::xtensor<double, 2> cdf_values_; // Note: must be row major!
-  xt::xtensor<XSSet, 2> xs_values_;
+  tensor::Tensor<double> cdf_values_; // Note: must be row major!
+  tensor::Tensor<XSSet> xs_values_;
 
   // Number of points in the CDF
-  auto n_cdf() const { return cdf_values_.shape()[1]; }
+  auto n_cdf() const { return cdf_values_.shape(1); }
 
   //! \brief Load the URR data from the provided HDF5 group
   explicit UrrData(hid_t group_id);
diff --git a/include/openmc/volume_calc.h b/include/openmc/volume_calc.h
index fa8d3d65e..9d3f1d026 100644
--- a/include/openmc/volume_calc.h
+++ b/include/openmc/volume_calc.h
@@ -12,8 +12,8 @@
 #include "openmc/tallies/trigger.h"
 #include "openmc/vector.h"
 
+#include "openmc/tensor.h"
 #include "pugixml.hpp"
-#include "xtensor/xtensor.hpp"
 #ifdef _OPENMP
 #include <omp.h>
 #endif
diff --git a/include/openmc/weight_windows.h b/include/openmc/weight_windows.h
index 0d7435ca2..97abcfe82 100644
--- a/include/openmc/weight_windows.h
+++ b/include/openmc/weight_windows.h
@@ -143,10 +143,10 @@ public:
 
   const vector<double>& energy_bounds() const { return energy_bounds_; }
 
-  void set_bounds(const xt::xtensor<double, 2>& lower_ww_bounds,
-    const xt::xtensor<double, 2>& upper_bounds);
+  void set_bounds(const tensor::Tensor<double>& lower_ww_bounds,
+    const tensor::Tensor<double>& upper_bounds);
 
-  void set_bounds(const xt::xtensor<double, 2>& lower_bounds, double ratio);
+  void set_bounds(const tensor::Tensor<double>& lower_bounds, double ratio);
 
   void set_bounds(
     span<const double> lower_bounds, span<const double> upper_bounds);
@@ -182,11 +182,11 @@ public:
 
   const std::unique_ptr<Mesh>& mesh() const { return model::meshes[mesh_idx_]; }
 
-  const xt::xtensor<double, 2>& lower_ww_bounds() const { return lower_ww_; }
-  xt::xtensor<double, 2>& lower_ww_bounds() { return lower_ww_; }
+  const tensor::Tensor<double>& lower_ww_bounds() const { return lower_ww_; }
+  tensor::Tensor<double>& lower_ww_bounds() { return lower_ww_; }
 
-  const xt::xtensor<double, 2>& upper_ww_bounds() const { return upper_ww_; }
-  xt::xtensor<double, 2>& upper_ww_bounds() { return upper_ww_; }
+  const tensor::Tensor<double>& upper_ww_bounds() const { return upper_ww_; }
+  tensor::Tensor<double>& upper_ww_bounds() { return upper_ww_; }
 
   ParticleType particle_type() const { return particle_type_; }
 
@@ -197,9 +197,9 @@ private:
   int64_t index_;                //!< Index into weight windows vector
   ParticleType particle_type_;   //!< Particle type to apply weight windows to
   vector<double> energy_bounds_; //!< Energy boundaries [eV]
-  xt::xtensor<double, 2> lower_ww_; //!< Lower weight window bounds (shape:
+  tensor::Tensor<double> lower_ww_; //!< Lower weight window bounds (shape:
                                     //!< energy_bins, mesh_bins (k, j, i))
-  xt::xtensor<double, 2>
+  tensor::Tensor<double>
     upper_ww_; //!< Upper weight window bounds (shape: energy_bins, mesh_bins)
   double survival_ratio_ {3.0}; //!< Survival weight ratio
   double max_lb_ratio_ {1.0}; //!< Maximum lower bound to particle weight ratio
diff --git a/include/openmc/wmp.h b/include/openmc/wmp.h
index 6a4abd867..5cc04e595 100644
--- a/include/openmc/wmp.h
+++ b/include/openmc/wmp.h
@@ -2,7 +2,7 @@
 #define OPENMC_WMP_H
 
 #include "hdf5.h"
-#include "xtensor/xtensor.hpp"
+#include "openmc/tensor.h"
 
 #include <complex>
 #include <string>
@@ -78,9 +78,9 @@ public:
   int fit_order_;                  //!< Order of the fit
   bool fissionable_;               //!< Is the nuclide fissionable?
   vector<WindowInfo> window_info_; // Information about a window
-  xt::xtensor<double, 3>
+  tensor::Tensor<double>
     curvefit_; // Curve fit coefficients (window, poly order, reaction)
-  xt::xtensor<std::complex<double>, 2> data_; //!< Poles and residues
+  tensor::Tensor<std::complex<double>> data_; //!< Poles and residues
 
   // Constant data
   static constexpr int MAX_POLY_COEFFICIENTS =
diff --git a/include/openmc/xml_interface.h b/include/openmc/xml_interface.h
index f49613ecd..17a34e5c7 100644
--- a/include/openmc/xml_interface.h
+++ b/include/openmc/xml_interface.h
@@ -5,9 +5,8 @@
 #include <sstream> // for stringstream
 #include <string>
 
+#include "openmc/tensor.h"
 #include "pugixml.hpp"
-#include "xtensor/xadapt.hpp"
-#include "xtensor/xarray.hpp"
 
 #include "openmc/position.h"
 #include "openmc/vector.h"
@@ -42,12 +41,11 @@ vector<T> get_node_array(
 }
 
 template<typename T>
-xt::xarray<T> get_node_xarray(
+tensor::Tensor<T> get_node_tensor(
   pugi::xml_node node, const char* name, bool lowercase = false)
 {
   vector<T> v = get_node_array<T>(node, name, lowercase);
-  vector<std::size_t> shape = {v.size()};
-  return xt::adapt(v, shape);
+  return tensor::Tensor<T>(v.data(), v.size());
 }
 
 std::vector<Position> get_node_position_array(
diff --git a/include/openmc/xsdata.h b/include/openmc/xsdata.h
index feafde68d..c9dbde986 100644
--- a/include/openmc/xsdata.h
+++ b/include/openmc/xsdata.h
@@ -4,7 +4,7 @@
 #ifndef OPENMC_XSDATA_H
 #define OPENMC_XSDATA_H
 
-#include "xtensor/xtensor.hpp"
+#include "openmc/tensor.h"
 
 #include "openmc/hdf5_interface.h"
 #include "openmc/memory.h"
@@ -69,26 +69,26 @@ private:
 public:
   // The following quantities have the following dimensions:
   // [angle][incoming group]
-  xt::xtensor<double, 2> total;
-  xt::xtensor<double, 2> absorption;
-  xt::xtensor<double, 2> nu_fission;
-  xt::xtensor<double, 2> prompt_nu_fission;
-  xt::xtensor<double, 2> kappa_fission;
-  xt::xtensor<double, 2> fission;
-  xt::xtensor<double, 2> inverse_velocity;
+  tensor::Tensor<double> total;
+  tensor::Tensor<double> absorption;
+  tensor::Tensor<double> nu_fission;
+  tensor::Tensor<double> prompt_nu_fission;
+  tensor::Tensor<double> kappa_fission;
+  tensor::Tensor<double> fission;
+  tensor::Tensor<double> inverse_velocity;
 
   // decay_rate has the following dimensions:
   // [angle][delayed group]
-  xt::xtensor<double, 2> decay_rate;
+  tensor::Tensor<double> decay_rate;
   // delayed_nu_fission has the following dimensions:
   // [angle][delayed group][incoming group]
-  xt::xtensor<double, 3> delayed_nu_fission;
+  tensor::Tensor<double> delayed_nu_fission;
   // chi_prompt has the following dimensions:
   // [angle][incoming group][outgoing group]
-  xt::xtensor<double, 3> chi_prompt;
+  tensor::Tensor<double> chi_prompt;
   // chi_delayed has the following dimensions:
   // [angle][incoming group][outgoing group][delayed group]
-  xt::xtensor<double, 4> chi_delayed;
+  tensor::Tensor<double> chi_delayed;
   // scatter has the following dimensions: [angle]
   vector<std::shared_ptr<ScattData>> scatter;
 
diff --git a/src/bank.cpp b/src/bank.cpp
index 33790379b..5afdc2eca 100644
--- a/src/bank.cpp
+++ b/src/bank.cpp
@@ -7,6 +7,7 @@
 #include "openmc/vector.h"
 
 #include <cstdint>
+#include <numeric>
 
 namespace openmc {
 
diff --git a/src/bremsstrahlung.cpp b/src/bremsstrahlung.cpp
index d77066fb0..ec1088101 100644
--- a/src/bremsstrahlung.cpp
+++ b/src/bremsstrahlung.cpp
@@ -6,7 +6,7 @@
 #include "openmc/search.h"
 #include "openmc/settings.h"
 
-#include "xtensor/xmath.hpp"
+#include "openmc/tensor.h"
 
 namespace openmc {
 
@@ -16,8 +16,8 @@ namespace openmc {
 
 namespace data {
 
-xt::xtensor<double, 1> ttb_e_grid;
-xt::xtensor<double, 1> ttb_k_grid;
+tensor::Tensor<double> ttb_e_grid;
+tensor::Tensor<double> ttb_k_grid;
 vector<Bremsstrahlung> ttb;
 
 } // namespace data
diff --git a/src/cmfd_solver.cpp b/src/cmfd_solver.cpp
index 943042f67..714a5bf3a 100644
--- a/src/cmfd_solver.cpp
+++ b/src/cmfd_solver.cpp
@@ -5,7 +5,7 @@
 #ifdef _OPENMP
 #include <omp.h>
 #endif
-#include "xtensor/xtensor.hpp"
+#include "openmc/tensor.h"
 
 #include "openmc/bank.h"
 #include "openmc/capi.h"
@@ -36,7 +36,7 @@ double spectral;
 
 int nx, ny, nz, ng;
 
-xt::xtensor<int, 2> indexmap;
+tensor::Tensor<int> indexmap;
 
 int use_all_threads;
 
@@ -79,15 +79,14 @@ int get_cmfd_energy_bin(const double E)
 // COUNT_BANK_SITES bins fission sites according to CMFD mesh and energy
 //==============================================================================
 
-xt::xtensor<double, 1> count_bank_sites(
-  xt::xtensor<int, 1>& bins, bool* outside)
+tensor::Tensor<double> count_bank_sites(
+  tensor::Tensor<int>& bins, bool* outside)
 {
   // Determine shape of array for counts
   std::size_t cnt_size = cmfd::nx * cmfd::ny * cmfd::nz * cmfd::ng;
-  vector<std::size_t> cnt_shape = {cnt_size};
 
   // Create array of zeros
-  xt::xarray<double> cnt {cnt_shape, 0.0};
+  tensor::Tensor<double> cnt = tensor::zeros<double>({cnt_size});
   bool outside_ = false;
 
   auto bank_size = simulation::source_bank.size();
@@ -113,29 +112,22 @@ xt::xtensor<double, 1> count_bank_sites(
     bins[i] = mesh_bin * cmfd::ng + energy_bin;
   }
 
-  // Create copy of count data. Since ownership will be acquired by xtensor,
-  // std::allocator must be used to avoid Valgrind mismatched free() / delete
-  // warnings.
   int total = cnt.size();
-  double* cnt_reduced = std::allocator<double> {}.allocate(total);
+  tensor::Tensor<double> counts = tensor::zeros<double>({cnt_size});
 
 #ifdef OPENMC_MPI
   // collect values from all processors
   MPI_Reduce(
-    cnt.data(), cnt_reduced, total, MPI_DOUBLE, MPI_SUM, 0, mpi::intracomm);
+    cnt.data(), counts.data(), total, MPI_DOUBLE, MPI_SUM, 0, mpi::intracomm);
 
   // Check if there were sites outside the mesh for any processor
   MPI_Reduce(&outside_, outside, 1, MPI_C_BOOL, MPI_LOR, 0, mpi::intracomm);
 
 #else
-  std::copy(cnt.data(), cnt.data() + total, cnt_reduced);
+  std::copy(cnt.data(), cnt.data() + total, counts.data());
   *outside = outside_;
 #endif
 
-  // Adapt reduced values in array back into an xarray
-  auto arr = xt::adapt(cnt_reduced, total, xt::acquire_ownership(), cnt_shape);
-  xt::xarray<double> counts = arr;
-
   return counts;
 }
 
@@ -151,19 +143,19 @@ extern "C" void openmc_cmfd_reweight(
   std::size_t src_size = cmfd::nx * cmfd::ny * cmfd::nz * cmfd::ng;
 
   // count bank sites for CMFD mesh, store bins in bank_bins for reweighting
-  xt::xtensor<int, 1> bank_bins({bank_size}, 0);
+  tensor::Tensor<int> bank_bins = tensor::zeros<int>({bank_size});
   bool sites_outside;
-  xt::xtensor<double, 1> sourcecounts =
+  tensor::Tensor<double> sourcecounts =
     count_bank_sites(bank_bins, &sites_outside);
 
   // Compute CMFD weightfactors
-  xt::xtensor<double, 1> weightfactors = xt::xtensor<double, 1>({src_size}, 1.);
+  tensor::Tensor<double> weightfactors = tensor::ones<double>({src_size});
   if (mpi::master) {
     if (sites_outside) {
       fatal_error("Source sites outside of the CMFD mesh");
     }
 
-    double norm = xt::sum(sourcecounts)() / cmfd::norm;
+    double norm = sourcecounts.sum() / cmfd::norm;
     for (int i = 0; i < src_size; i++) {
       if (sourcecounts[i] > 0 && cmfd_src[i] > 0) {
         weightfactors[i] = cmfd_src[i] * norm / sourcecounts[i];
@@ -561,7 +553,7 @@ void free_memory_cmfd()
   cmfd::indices.clear();
   cmfd::egrid.clear();
 
-  // Resize xtensors to be empty
+  // Resize tensors to be empty
   cmfd::indexmap.resize({0});
 
   // Set pointers to null
diff --git a/src/cross_sections.cpp b/src/cross_sections.cpp
index b1bfde03d..ec9da5b8a 100644
--- a/src/cross_sections.cpp
+++ b/src/cross_sections.cpp
@@ -254,7 +254,7 @@ void read_ce_cross_sections(const vector<vector<double>>& nuc_temps,
   if (settings::photon_transport &&
       settings::electron_treatment == ElectronTreatment::TTB) {
     // Take logarithm of energies since they are log-log interpolated
-    data::ttb_e_grid = xt::log(data::ttb_e_grid);
+    data::ttb_e_grid = tensor::log(data::ttb_e_grid);
   }
 
   // Show minimum/maximum temperature
diff --git a/src/distribution_angle.cpp b/src/distribution_angle.cpp
index 50f1aca11..3433f269e 100644
--- a/src/distribution_angle.cpp
+++ b/src/distribution_angle.cpp
@@ -2,8 +2,7 @@
 
 #include <cmath> // for abs, copysign
 
-#include "xtensor/xarray.hpp"
-#include "xtensor/xview.hpp"
+#include "openmc/tensor.h"
 
 #include "openmc/endf.h"
 #include "openmc/hdf5_interface.h"
@@ -30,7 +29,7 @@ AngleDistribution::AngleDistribution(hid_t group)
   hid_t dset = open_dataset(group, "mu");
   read_attribute(dset, "offsets", offsets);
   read_attribute(dset, "interpolation", interp);
-  xt::xarray<double> temp;
+  tensor::Tensor<double> temp;
   read_dataset(dset, temp);
   close_dataset(dset);
 
@@ -41,13 +40,13 @@ AngleDistribution::AngleDistribution(hid_t group)
     if (i < n_energy - 1) {
       n = offsets[i + 1] - j;
     } else {
-      n = temp.shape()[1] - j;
+      n = temp.shape(1) - j;
     }
 
     // Create and initialize tabular distribution
-    auto xs = xt::view(temp, 0, xt::range(j, j + n));
-    auto ps = xt::view(temp, 1, xt::range(j, j + n));
-    auto cs = xt::view(temp, 2, xt::range(j, j + n));
+    tensor::View<double> xs = temp.slice(0, tensor::range(j, j + n));
+    tensor::View<double> ps = temp.slice(1, tensor::range(j, j + n));
+    tensor::View<double> cs = temp.slice(2, tensor::range(j, j + n));
     vector<double> x {xs.begin(), xs.end()};
     vector<double> p {ps.begin(), ps.end()};
     vector<double> c {cs.begin(), cs.end()};
diff --git a/src/distribution_energy.cpp b/src/distribution_energy.cpp
index a4a5ce9e1..2f8e6cf1a 100644
--- a/src/distribution_energy.cpp
+++ b/src/distribution_energy.cpp
@@ -4,7 +4,7 @@
 #include <cstddef>   // for size_t
 #include <iterator>  // for back_inserter
 
-#include "xtensor/xview.hpp"
+#include "openmc/tensor.h"
 
 #include "openmc/endf.h"
 #include "openmc/hdf5_interface.h"
@@ -60,11 +60,11 @@ ContinuousTabular::ContinuousTabular(hid_t group)
   hid_t dset = open_dataset(group, "energy");
 
   // Get interpolation parameters
-  xt::xarray<int> temp;
+  tensor::Tensor<int> temp;
   read_attribute(dset, "interpolation", temp);
 
-  auto temp_b = xt::view(temp, 0); // view of breakpoints
-  auto temp_i = xt::view(temp, 1); // view of interpolation parameters
+  tensor::View<int> temp_b = temp.slice(0); // breakpoints
+  tensor::View<int> temp_i = temp.slice(1); // interpolation parameters
 
   std::copy(temp_b.begin(), temp_b.end(), std::back_inserter(breakpoints_));
   for (const auto i : temp_i)
@@ -85,7 +85,7 @@ ContinuousTabular::ContinuousTabular(hid_t group)
   read_attribute(dset, "interpolation", interp);
   read_attribute(dset, "n_discrete_lines", n_discrete);
 
-  xt::xarray<double> eout;
+  tensor::Tensor<double> eout;
   read_dataset(dset, eout);
   close_dataset(dset);
 
@@ -96,7 +96,7 @@ ContinuousTabular::ContinuousTabular(hid_t group)
     if (i < n_energy - 1) {
       n = offsets[i + 1] - j;
     } else {
-      n = eout.shape()[1] - j;
+      n = eout.shape(1) - j;
     }
 
     // Assign interpolation scheme and number of discrete lines
@@ -105,15 +105,15 @@ ContinuousTabular::ContinuousTabular(hid_t group)
     d.n_discrete = n_discrete[i];
 
     // Copy data
-    d.e_out = xt::view(eout, 0, xt::range(j, j + n));
-    d.p = xt::view(eout, 1, xt::range(j, j + n));
+    d.e_out = eout.slice(0, tensor::range(j, j + n));
+    d.p = eout.slice(1, tensor::range(j, j + n));
 
     // To get answers that match ACE data, for now we still use the tabulated
     // CDF values that were passed through to the HDF5 library. At a later
     // time, we can remove the CDF values from the HDF5 library and
     // reconstruct them using the PDF
     if (true) {
-      d.c = xt::view(eout, 2, xt::range(j, j + n));
+      d.c = eout.slice(2, tensor::range(j, j + n));
     } else {
       // Calculate cumulative distribution function -- discrete portion
       for (int k = 0; k < d.n_discrete; ++k) {
diff --git a/src/eigenvalue.cpp b/src/eigenvalue.cpp
index dc4fbb420..bc8dcc9ea 100644
--- a/src/eigenvalue.cpp
+++ b/src/eigenvalue.cpp
@@ -1,9 +1,6 @@
 #include "openmc/eigenvalue.h"
 
-#include "xtensor/xbuilder.hpp"
-#include "xtensor/xmath.hpp"
-#include "xtensor/xtensor.hpp"
-#include "xtensor/xview.hpp"
+#include "openmc/tensor.h"
 
 #include "openmc/array.h"
 #include "openmc/bank.h"
@@ -39,7 +36,7 @@ namespace simulation {
 double keff_generation;
 array<double, 2> k_sum;
 vector<double> entropy;
-xt::xtensor<double, 1> source_frac;
+tensor::Tensor<double> source_frac;
 
 } // namespace simulation
 
@@ -452,7 +449,7 @@ int openmc_get_keff(double* k_combined)
   const auto& gt = simulation::global_tallies;
 
   array<double, 3> kv {};
-  xt::xtensor<double, 2> cov = xt::zeros<double>({3, 3});
+  tensor::Tensor<double> cov = tensor::zeros<double>({3, 3});
   kv[0] = gt(GlobalTally::K_COLLISION, TallyResult::SUM) / n;
   kv[1] = gt(GlobalTally::K_ABSORPTION, TallyResult::SUM) / n;
   kv[2] = gt(GlobalTally::K_TRACKLENGTH, TallyResult::SUM) / n;
@@ -591,7 +588,7 @@ void shannon_entropy()
 {
   // Get source weight in each mesh bin
   bool sites_outside;
-  xt::xtensor<double, 1> p =
+  tensor::Tensor<double> p =
     simulation::entropy_mesh->count_sites(simulation::fission_bank.data(),
       simulation::fission_bank.size(), &sites_outside);
 
@@ -603,7 +600,7 @@ void shannon_entropy()
 
   if (mpi::master) {
     // Normalize to total weight of bank sites
-    p /= xt::sum(p);
+    p /= p.sum();
 
     // Sum values to obtain Shannon entropy
     double H = 0.0;
@@ -627,7 +624,7 @@ void ufs_count_sites()
 
     std::size_t n = simulation::ufs_mesh->n_bins();
     double vol_frac = simulation::ufs_mesh->volume_frac_;
-    simulation::source_frac = xt::xtensor<double, 1>({n}, vol_frac);
+    simulation::source_frac = tensor::Tensor<double>({n}, vol_frac);
 
   } else {
     // count number of source sites in each ufs mesh cell
@@ -649,7 +646,7 @@ void ufs_count_sites()
 #endif
 
     // Normalize to total weight to get fraction of source in each cell
-    double total = xt::sum(simulation::source_frac)();
+    double total = simulation::source_frac.sum();
     simulation::source_frac /= total;
 
     // Since the total starting weight is not equal to n_particles, we need to
diff --git a/src/endf.cpp b/src/endf.cpp
index c0c1d2e7e..b298ebe01 100644
--- a/src/endf.cpp
+++ b/src/endf.cpp
@@ -5,8 +5,7 @@
 #include <iterator>  // for back_inserter
 #include <stdexcept> // for runtime_error
 
-#include "xtensor/xarray.hpp"
-#include "xtensor/xview.hpp"
+#include "openmc/tensor.h"
 
 #include "openmc/array.h"
 #include "openmc/constants.h"
@@ -153,11 +152,11 @@ Tabulated1D::Tabulated1D(hid_t dset)
   for (const auto i : int_temp)
     int_.push_back(int2interp(i));
 
-  xt::xarray<double> arr;
+  tensor::Tensor<double> arr;
   read_dataset(dset, arr);
 
-  auto xs = xt::view(arr, 0);
-  auto ys = xt::view(arr, 1);
+  tensor::View<double> xs = arr.slice(0);
+  tensor::View<double> ys = arr.slice(1);
 
   std::copy(xs.begin(), xs.end(), std::back_inserter(x_));
   std::copy(ys.begin(), ys.end(), std::back_inserter(y_));
@@ -229,12 +228,12 @@ double Tabulated1D::operator()(double x) const
 CoherentElasticXS::CoherentElasticXS(hid_t dset)
 {
   // Read 2D array from dataset
-  xt::xarray<double> arr;
+  tensor::Tensor<double> arr;
   read_dataset(dset, arr);
 
   // Get views for Bragg edges and structure factors
-  auto E = xt::view(arr, 0);
-  auto s = xt::view(arr, 1);
+  tensor::View<double> E = arr.slice(0);
+  tensor::View<double> s = arr.slice(1);
 
   // Copy Bragg edges and partial sums of structure factors
   std::copy(E.begin(), E.end(), std::back_inserter(bragg_edges_));
diff --git a/src/finalize.cpp b/src/finalize.cpp
index 5ca9d5746..4ac6d09f3 100644
--- a/src/finalize.cpp
+++ b/src/finalize.cpp
@@ -30,7 +30,7 @@
 #include "openmc/volume_calc.h"
 #include "openmc/weight_windows.h"
 
-#include "xtensor/xview.hpp"
+#include "openmc/tensor.h"
 
 namespace openmc {
 
@@ -203,7 +203,7 @@ int openmc_reset()
 
   // Reset global tallies
   simulation::n_realizations = 0;
-  xt::view(simulation::global_tallies, xt::all()) = 0.0;
+  simulation::global_tallies.fill(0.0);
 
   simulation::k_col_abs = 0.0;
   simulation::k_col_tra = 0.0;
diff --git a/src/hdf5_interface.cpp b/src/hdf5_interface.cpp
index c56d485e2..00c6a4399 100644
--- a/src/hdf5_interface.cpp
+++ b/src/hdf5_interface.cpp
@@ -4,8 +4,7 @@
 #include <stdexcept>
 #include <string>
 
-#include "xtensor/xarray.hpp"
-#include "xtensor/xtensor.hpp"
+#include "openmc/tensor.h"
 #include <fmt/core.h>
 
 #include "hdf5.h"
@@ -466,22 +465,19 @@ void read_dataset_lowlevel(hid_t obj_id, const char* name, hid_t mem_type_id,
 }
 
 template<>
-void read_dataset(hid_t dset, xt::xarray<std::complex<double>>& arr, bool indep)
+void read_dataset(
+  hid_t dset, tensor::Tensor<std::complex<double>>& tensor, bool indep)
 {
   // Get shape of dataset
   vector<hsize_t> shape = object_shape(dset);
 
-  // Allocate new array to read data into
-  std::size_t size = 1;
-  for (const auto x : shape)
-    size *= x;
-  vector<std::complex<double>> buffer(size);
+  // Resize tensor and read data directly
+  vector<size_t> tshape(shape.begin(), shape.end());
+  tensor.resize(tshape);
 
-  // Read data from attribute
-  read_complex(dset, nullptr, buffer.data(), indep);
-
-  // Adapt into xarray
-  arr = xt::adapt(buffer, shape);
+  // Read data from dataset
+  read_complex(dset, nullptr,
+    reinterpret_cast<std::complex<double>*>(tensor.data()), indep);
 }
 
 void read_double(hid_t obj_id, const char* name, double* buffer, bool indep)
diff --git a/src/material.cpp b/src/material.cpp
index 072e6deca..21b11b8b9 100644
--- a/src/material.cpp
+++ b/src/material.cpp
@@ -8,9 +8,7 @@
 #include <string>
 #include <unordered_set>
 
-#include "xtensor/xbuilder.hpp"
-#include "xtensor/xoperation.hpp"
-#include "xtensor/xview.hpp"
+#include "openmc/tensor.h"
 
 #include "openmc/capi.h"
 #include "openmc/container_util.h"
@@ -216,7 +214,7 @@ Material::Material(pugi::xml_node node)
   // allocate arrays in Material object
   auto n = names.size();
   nuclide_.reserve(n);
-  atom_density_ = xt::empty<double>({n});
+  atom_density_ = tensor::Tensor<double>({n});
   if (settings::photon_transport)
     element_.reserve(n);
 
@@ -290,14 +288,14 @@ Material::Material(pugi::xml_node node)
 
   // Check to make sure either all atom percents or all weight percents are
   // given
-  if (!(xt::all(atom_density_ >= 0.0) || xt::all(atom_density_ <= 0.0))) {
+  if (!((atom_density_ >= 0.0).all() || (atom_density_ <= 0.0).all())) {
     fatal_error(
       "Cannot mix atom and weight percents in material " + std::to_string(id_));
   }
 
   // Determine density if it is a sum value
   if (sum_density)
-    density_ = xt::sum(atom_density_)();
+    density_ = atom_density_.sum();
 
   if (check_for_node(node, "temperature")) {
     temperature_ = std::stod(get_node_value(node, "temperature"));
@@ -435,7 +433,7 @@ void Material::normalize_density()
   // determine normalized atom percents. if given atom percents, this is
   // straightforward. if given weight percents, the value is w/awr and is
   // divided by sum(w/awr)
-  atom_density_ /= xt::sum(atom_density_)();
+  atom_density_ /= atom_density_.sum();
 
   // Change density in g/cm^3 to atom/b-cm. Since all values are now in
   // atom percent, the sum needs to be re-evaluated as 1/sum(x*awr)
@@ -641,14 +639,14 @@ void Material::init_bremsstrahlung()
     bool positron = (particle == 1);
 
     // Allocate arrays for TTB data
-    ttb->pdf = xt::zeros<double>({n_e, n_e});
-    ttb->cdf = xt::zeros<double>({n_e, n_e});
-    ttb->yield = xt::zeros<double>({n_e});
+    ttb->pdf = tensor::zeros<double>({n_e, n_e});
+    ttb->cdf = tensor::zeros<double>({n_e, n_e});
+    ttb->yield = tensor::zeros<double>({n_e});
 
     // Allocate temporary arrays
-    xt::xtensor<double, 1> stopping_power_collision({n_e}, 0.0);
-    xt::xtensor<double, 1> stopping_power_radiative({n_e}, 0.0);
-    xt::xtensor<double, 2> dcs({n_e, n_k}, 0.0);
+    auto stopping_power_collision = tensor::zeros<double>({n_e});
+    auto stopping_power_radiative = tensor::zeros<double>({n_e});
+    auto dcs = tensor::zeros<double>({n_e, n_k});
 
     double Z_eq_sq = 0.0;
     double sum_density = 0.0;
@@ -698,18 +696,18 @@ void Material::init_bremsstrahlung()
                    1.0595e-3 * std::pow(t, 5) + 7.0568e-5 * std::pow(t, 6) -
                    1.808e-6 * std::pow(t, 7));
         stopping_power_radiative(i) *= r;
-        auto dcs_i = xt::view(dcs, i, xt::all());
+        tensor::View<double> dcs_i = dcs.slice(i);
         dcs_i *= r;
       }
     }
 
     // Total material stopping power
-    xt::xtensor<double, 1> stopping_power =
+    tensor::Tensor<double> stopping_power =
       stopping_power_collision + stopping_power_radiative;
 
     // Loop over photon energies
-    xt::xtensor<double, 1> f({n_e}, 0.0);
-    xt::xtensor<double, 1> z({n_e}, 0.0);
+    auto f = tensor::zeros<double>({n_e});
+    auto z = tensor::zeros<double>({n_e});
     for (int i = 0; i < n_e - 1; ++i) {
       double w = data::ttb_e_grid(i);
 
@@ -797,7 +795,8 @@ void Material::init_bremsstrahlung()
     }
 
     // Use logarithm of number yield since it is log-log interpolated
-    ttb->yield = xt::where(ttb->yield > 0.0, xt::log(ttb->yield), -500.0);
+    ttb->yield =
+      tensor::where(ttb->yield > 0.0, tensor::log(ttb->yield), -500.0);
   }
 }
 
@@ -979,7 +978,7 @@ void Material::set_density(double density, const std::string& units)
     density_ = density;
 
     // Determine normalized atom percents
-    double sum_percent = xt::sum(atom_density_)();
+    double sum_percent = atom_density_.sum();
     atom_density_ /= sum_percent;
 
     // Recalculate nuclide atom densities based on given density
@@ -1020,7 +1019,7 @@ void Material::set_densities(
 
   if (n != nuclide_.size()) {
     nuclide_.resize(n);
-    atom_density_ = xt::zeros<double>({n});
+    atom_density_ = tensor::zeros<double>({n});
     if (settings::photon_transport)
       element_.resize(n);
   }
@@ -1181,8 +1180,8 @@ void Material::add_nuclide(const std::string& name, double density)
   auto n = nuclide_.size();
 
   // Create copy of atom_density_ array with one extra entry
-  xt::xtensor<double, 1> atom_density = xt::zeros<double>({n});
-  xt::view(atom_density, xt::range(0, n - 1)) = atom_density_;
+  tensor::Tensor<double> atom_density = tensor::zeros<double>({n});
+  atom_density.slice(tensor::range(0, n - 1)) = atom_density_;
   atom_density(n - 1) = density;
   atom_density_ = atom_density;
 
diff --git a/src/mesh.cpp b/src/mesh.cpp
index 789113ccc..5ab7ac398 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -6,6 +6,7 @@
 #define _USE_MATH_DEFINES // to make M_PI declared in Intel and MSVC compilers
 #include <cmath>          // for ceil
 #include <cstddef>        // for size_t
+#include <numeric>        // for accumulate
 #include <string>
 
 #ifdef _MSC_VER
@@ -16,13 +17,7 @@
 #include "mpi.h"
 #endif
 
-#include "xtensor/xadapt.hpp"
-#include "xtensor/xbuilder.hpp"
-#include "xtensor/xeval.hpp"
-#include "xtensor/xmath.hpp"
-#include "xtensor/xsort.hpp"
-#include "xtensor/xtensor.hpp"
-#include "xtensor/xview.hpp"
+#include "openmc/tensor.h"
 #include <fmt/core.h> // for fmt
 
 #include "openmc/capi.h"
@@ -772,11 +767,9 @@ std::string StructuredMesh::bin_label(int bin) const
   }
 }
 
-xt::xtensor<int, 1> StructuredMesh::get_x_shape() const
+tensor::Tensor<int> StructuredMesh::get_shape_tensor() const
 {
-  // because method is const, shape_ is const as well and can't be adapted
-  auto tmp_shape = shape_;
-  return xt::adapt(tmp_shape, {n_dimension_});
+  return tensor::Tensor<int>(shape_.data(), static_cast<size_t>(n_dimension_));
 }
 
 Position StructuredMesh::sample_element(
@@ -961,10 +954,11 @@ void UnstructuredMesh::to_hdf5_inner(hid_t mesh_group) const
     write_dataset(mesh_group, "length_multiplier", length_multiplier_);
 
   // write vertex coordinates
-  xt::xtensor<double, 2> vertices({static_cast<size_t>(this->n_vertices()), 3});
+  tensor::Tensor<double> vertices(
+    {static_cast<size_t>(this->n_vertices()), static_cast<size_t>(3)});
   for (int i = 0; i < this->n_vertices(); i++) {
     auto v = this->vertex(i);
-    xt::view(vertices, i, xt::all()) = xt::xarray<double>({v.x, v.y, v.z});
+    vertices.slice(i) = {v.x, v.y, v.z};
   }
   write_dataset(mesh_group, "vertices", vertices);
 
@@ -972,8 +966,10 @@ void UnstructuredMesh::to_hdf5_inner(hid_t mesh_group) const
 
   // write element types and connectivity
   vector<double> volumes;
-  xt::xtensor<int, 2> connectivity({static_cast<size_t>(this->n_bins()), 8});
-  xt::xtensor<int, 2> elem_types({static_cast<size_t>(this->n_bins()), 1});
+  tensor::Tensor<int> connectivity(
+    {static_cast<size_t>(this->n_bins()), static_cast<size_t>(8)});
+  tensor::Tensor<int> elem_types(
+    {static_cast<size_t>(this->n_bins()), static_cast<size_t>(1)});
   for (int i = 0; i < this->n_bins(); i++) {
     auto conn = this->connectivity(i);
 
@@ -981,21 +977,18 @@ void UnstructuredMesh::to_hdf5_inner(hid_t mesh_group) const
 
     // write linear tet element
     if (conn.size() == 4) {
-      xt::view(elem_types, i, xt::all()) =
-        static_cast<int>(ElementType::LINEAR_TET);
-      xt::view(connectivity, i, xt::all()) =
-        xt::xarray<int>({conn[0], conn[1], conn[2], conn[3], -1, -1, -1, -1});
+      elem_types.slice(i) = static_cast<int>(ElementType::LINEAR_TET);
+      connectivity.slice(i) = {
+        conn[0], conn[1], conn[2], conn[3], -1, -1, -1, -1};
       // write linear hex element
     } else if (conn.size() == 8) {
-      xt::view(elem_types, i, xt::all()) =
-        static_cast<int>(ElementType::LINEAR_HEX);
-      xt::view(connectivity, i, xt::all()) = xt::xarray<int>({conn[0], conn[1],
-        conn[2], conn[3], conn[4], conn[5], conn[6], conn[7]});
+      elem_types.slice(i) = static_cast<int>(ElementType::LINEAR_HEX);
+      connectivity.slice(i) = {
+        conn[0], conn[1], conn[2], conn[3], conn[4], conn[5], conn[6], conn[7]};
     } else {
       num_elem_skipped++;
-      xt::view(elem_types, i, xt::all()) =
-        static_cast<int>(ElementType::UNSUPPORTED);
-      xt::view(connectivity, i, xt::all()) = -1;
+      elem_types.slice(i) = static_cast<int>(ElementType::UNSUPPORTED);
+      connectivity.slice(i) = -1;
     }
   }
 
@@ -1096,7 +1089,7 @@ int StructuredMesh::n_surface_bins() const
   return 4 * n_dimension_ * n_bins();
 }
 
-xt::xtensor<double, 1> StructuredMesh::count_sites(
+tensor::Tensor<double> StructuredMesh::count_sites(
   const SourceSite* bank, int64_t length, bool* outside) const
 {
   // Determine shape of array for counts
@@ -1104,7 +1097,7 @@ xt::xtensor<double, 1> StructuredMesh::count_sites(
   vector<std::size_t> shape = {m};
 
   // Create array of zeros
-  xt::xarray<double> cnt {shape, 0.0};
+  auto cnt = tensor::zeros<double>(shape);
   bool outside_ = false;
 
   for (int64_t i = 0; i < length; i++) {
@@ -1123,31 +1116,25 @@ xt::xtensor<double, 1> StructuredMesh::count_sites(
     cnt(mesh_bin) += site.wgt;
   }
 
-  // Create copy of count data. Since ownership will be acquired by xtensor,
-  // std::allocator must be used to avoid Valgrind mismatched free() / delete
-  // warnings.
+  // Create reduced count data
+  auto counts = tensor::zeros<double>(shape);
   int total = cnt.size();
-  double* cnt_reduced = std::allocator<double> {}.allocate(total);
 
 #ifdef OPENMC_MPI
   // collect values from all processors
   MPI_Reduce(
-    cnt.data(), cnt_reduced, total, MPI_DOUBLE, MPI_SUM, 0, mpi::intracomm);
+    cnt.data(), counts.data(), total, MPI_DOUBLE, MPI_SUM, 0, mpi::intracomm);
 
   // Check if there were sites outside the mesh for any processor
   if (outside) {
     MPI_Reduce(&outside_, outside, 1, MPI_C_BOOL, MPI_LOR, 0, mpi::intracomm);
   }
 #else
-  std::copy(cnt.data(), cnt.data() + total, cnt_reduced);
+  std::copy(cnt.data(), cnt.data() + total, counts.data());
   if (outside)
     *outside = outside_;
 #endif
 
-  // Adapt reduced values in array back into an xarray
-  auto arr = xt::adapt(cnt_reduced, total, xt::acquire_ownership(), shape);
-  xt::xarray<double> counts = arr;
-
   return counts;
 }
 
@@ -1340,10 +1327,10 @@ void StructuredMesh::surface_bins_crossed(
 
 int RegularMesh::set_grid()
 {
-  auto shape = xt::adapt(shape_, {n_dimension_});
+  tensor::Tensor<int> shape(shape_.data(), static_cast<size_t>(n_dimension_));
 
   // Check that dimensions are all greater than zero
-  if (xt::any(shape <= 0)) {
+  if ((shape <= 0).any()) {
     set_errmsg("All entries for a regular mesh dimensions "
                "must be positive.");
     return OPENMC_E_INVALID_ARGUMENT;
@@ -1365,13 +1352,13 @@ int RegularMesh::set_grid()
     }
 
     // Check for negative widths
-    if (xt::any(width_ < 0.0)) {
+    if ((width_ < 0.0).any()) {
       set_errmsg("Cannot have a negative width on a regular mesh.");
       return OPENMC_E_INVALID_ARGUMENT;
     }
 
     // Set width and upper right coordinate
-    upper_right_ = xt::eval(lower_left_ + shape * width_);
+    upper_right_ = lower_left_ + shape * width_;
 
   } else if (upper_right_.size() > 0) {
 
@@ -1383,7 +1370,7 @@ int RegularMesh::set_grid()
     }
 
     // Check that upper-right is above lower-left
-    if (xt::any(upper_right_ < lower_left_)) {
+    if ((upper_right_ < lower_left_).any()) {
       set_errmsg(
         "The upper_right coordinates of a regular mesh must be greater than "
         "the lower_left coordinates.");
@@ -1391,11 +1378,11 @@ int RegularMesh::set_grid()
     }
 
     // Set width
-    width_ = xt::eval((upper_right_ - lower_left_) / shape);
+    width_ = (upper_right_ - lower_left_) / shape;
   }
 
   // Set material volumes
-  volume_frac_ = 1.0 / xt::prod(shape)();
+  volume_frac_ = 1.0 / shape.prod();
 
   element_volume_ = 1.0;
   for (int i = 0; i < n_dimension_; i++) {
@@ -1411,7 +1398,7 @@ RegularMesh::RegularMesh(pugi::xml_node node) : StructuredMesh {node}
     fatal_error("Must specify <dimension> on a regular mesh.");
   }
 
-  xt::xtensor<int, 1> shape = get_node_xarray<int>(node, "dimension");
+  tensor::Tensor<int> shape = get_node_tensor<int>(node, "dimension");
   int n = n_dimension_ = shape.size();
   if (n != 1 && n != 2 && n != 3) {
     fatal_error("Mesh must be one, two, or three dimensions.");
@@ -1421,7 +1408,7 @@ RegularMesh::RegularMesh(pugi::xml_node node) : StructuredMesh {node}
   // Check for lower-left coordinates
   if (check_for_node(node, "lower_left")) {
     // Read mesh lower-left corner location
-    lower_left_ = get_node_xarray<double>(node, "lower_left");
+    lower_left_ = get_node_tensor<double>(node, "lower_left");
   } else {
     fatal_error("Must specify <lower_left> on a mesh.");
   }
@@ -1432,11 +1419,11 @@ RegularMesh::RegularMesh(pugi::xml_node node) : StructuredMesh {node}
       fatal_error("Cannot specify both <upper_right> and <width> on a mesh.");
     }
 
-    width_ = get_node_xarray<double>(node, "width");
+    width_ = get_node_tensor<double>(node, "width");
 
   } else if (check_for_node(node, "upper_right")) {
 
-    upper_right_ = get_node_xarray<double>(node, "upper_right");
+    upper_right_ = get_node_tensor<double>(node, "upper_right");
 
   } else {
     fatal_error("Must specify either <upper_right> or <width> on a mesh.");
@@ -1454,7 +1441,7 @@ RegularMesh::RegularMesh(hid_t group) : StructuredMesh {group}
     fatal_error("Must specify <dimension> on a regular mesh.");
   }
 
-  xt::xtensor<int, 1> shape;
+  tensor::Tensor<int> shape;
   read_dataset(group, "dimension", shape);
   int n = n_dimension_ = shape.size();
   if (n != 1 && n != 2 && n != 3) {
@@ -1569,13 +1556,13 @@ std::pair<vector<double>, vector<double>> RegularMesh::plot(
 
 void RegularMesh::to_hdf5_inner(hid_t mesh_group) const
 {
-  write_dataset(mesh_group, "dimension", get_x_shape());
+  write_dataset(mesh_group, "dimension", get_shape_tensor());
   write_dataset(mesh_group, "lower_left", lower_left_);
   write_dataset(mesh_group, "upper_right", upper_right_);
   write_dataset(mesh_group, "width", width_);
 }
 
-xt::xtensor<double, 1> RegularMesh::count_sites(
+tensor::Tensor<double> RegularMesh::count_sites(
   const SourceSite* bank, int64_t length, bool* outside) const
 {
   // Determine shape of array for counts
@@ -1583,7 +1570,7 @@ xt::xtensor<double, 1> RegularMesh::count_sites(
   vector<std::size_t> shape = {m};
 
   // Create array of zeros
-  xt::xarray<double> cnt {shape, 0.0};
+  auto cnt = tensor::zeros<double>(shape);
   bool outside_ = false;
 
   for (int64_t i = 0; i < length; i++) {
@@ -1602,31 +1589,25 @@ xt::xtensor<double, 1> RegularMesh::count_sites(
     cnt(mesh_bin) += site.wgt;
   }
 
-  // Create copy of count data. Since ownership will be acquired by xtensor,
-  // std::allocator must be used to avoid Valgrind mismatched free() / delete
-  // warnings.
+  // Create reduced count data
+  auto counts = tensor::zeros<double>(shape);
   int total = cnt.size();
-  double* cnt_reduced = std::allocator<double> {}.allocate(total);
 
 #ifdef OPENMC_MPI
   // collect values from all processors
   MPI_Reduce(
-    cnt.data(), cnt_reduced, total, MPI_DOUBLE, MPI_SUM, 0, mpi::intracomm);
+    cnt.data(), counts.data(), total, MPI_DOUBLE, MPI_SUM, 0, mpi::intracomm);
 
   // Check if there were sites outside the mesh for any processor
   if (outside) {
     MPI_Reduce(&outside_, outside, 1, MPI_C_BOOL, MPI_LOR, 0, mpi::intracomm);
   }
 #else
-  std::copy(cnt.data(), cnt.data() + total, cnt_reduced);
+  std::copy(cnt.data(), cnt.data() + total, counts.data());
   if (outside)
     *outside = outside_;
 #endif
 
-  // Adapt reduced values in array back into an xarray
-  auto arr = xt::adapt(cnt_reduced, total, xt::acquire_ownership(), shape);
-  xt::xarray<double> counts = arr;
-
   return counts;
 }
 
@@ -2698,7 +2679,7 @@ extern "C" int openmc_regular_mesh_get_params(
     return err;
   RegularMesh* m = dynamic_cast<RegularMesh*>(model::meshes[index].get());
 
-  if (m->lower_left_.dimension() == 0) {
+  if (m->lower_left_.empty()) {
     set_errmsg("Mesh parameters have not been set.");
     return OPENMC_E_ALLOCATE;
   }
@@ -2725,17 +2706,17 @@ extern "C" int openmc_regular_mesh_set_params(
 
   vector<std::size_t> shape = {static_cast<std::size_t>(n)};
   if (ll && ur) {
-    m->lower_left_ = xt::adapt(ll, n, xt::no_ownership(), shape);
-    m->upper_right_ = xt::adapt(ur, n, xt::no_ownership(), shape);
-    m->width_ = (m->upper_right_ - m->lower_left_) / m->get_x_shape();
+    m->lower_left_ = tensor::Tensor<double>(ll, n);
+    m->upper_right_ = tensor::Tensor<double>(ur, n);
+    m->width_ = (m->upper_right_ - m->lower_left_) / m->get_shape_tensor();
   } else if (ll && width) {
-    m->lower_left_ = xt::adapt(ll, n, xt::no_ownership(), shape);
-    m->width_ = xt::adapt(width, n, xt::no_ownership(), shape);
-    m->upper_right_ = m->lower_left_ + m->get_x_shape() * m->width_;
+    m->lower_left_ = tensor::Tensor<double>(ll, n);
+    m->width_ = tensor::Tensor<double>(width, n);
+    m->upper_right_ = m->lower_left_ + m->get_shape_tensor() * m->width_;
   } else if (ur && width) {
-    m->upper_right_ = xt::adapt(ur, n, xt::no_ownership(), shape);
-    m->width_ = xt::adapt(width, n, xt::no_ownership(), shape);
-    m->lower_left_ = m->upper_right_ - m->get_x_shape() * m->width_;
+    m->upper_right_ = tensor::Tensor<double>(ur, n);
+    m->width_ = tensor::Tensor<double>(width, n);
+    m->lower_left_ = m->upper_right_ - m->get_shape_tensor() * m->width_;
   } else {
     set_errmsg("At least two parameters must be specified.");
     return OPENMC_E_INVALID_ARGUMENT;
@@ -2745,7 +2726,7 @@ extern "C" int openmc_regular_mesh_set_params(
 
   // TODO: incorporate this into method in RegularMesh that can be called from
   // here and from constructor
-  m->volume_frac_ = 1.0 / xt::prod(m->get_x_shape())();
+  m->volume_frac_ = 1.0 / m->get_shape_tensor().prod();
   m->element_volume_ = 1.0;
   for (int i = 0; i < m->n_dimension_; i++) {
     m->element_volume_ *= m->width_[i];
@@ -2794,7 +2775,7 @@ int openmc_structured_mesh_get_grid_impl(int32_t index, double** grid_x,
     return err;
   C* m = dynamic_cast<C*>(model::meshes[index].get());
 
-  if (m->lower_left_.dimension() == 0) {
+  if (m->lower_left_.empty()) {
     set_errmsg("Mesh parameters have not been set.");
     return OPENMC_E_ALLOCATE;
   }
diff --git a/src/mgxs.cpp b/src/mgxs.cpp
index ea78238b8..65a7a0c55 100644
--- a/src/mgxs.cpp
+++ b/src/mgxs.cpp
@@ -5,10 +5,7 @@
 #include <cstdlib>
 #include <sstream>
 
-#include "xtensor/xadapt.hpp"
-#include "xtensor/xmath.hpp"
-#include "xtensor/xsort.hpp"
-#include "xtensor/xview.hpp"
+#include "openmc/tensor.h"
 #include <fmt/core.h>
 
 #include "openmc/error.h"
@@ -33,8 +30,7 @@ void Mgxs::init(const std::string& in_name, double in_awr,
   // Set the metadata
   name = in_name;
   awr = in_awr;
-  // TODO: Remove adapt when in_KTs is an xtensor
-  kTs = xt::adapt(in_kTs);
+  kTs = tensor::Tensor<double>(in_kTs.data(), in_kTs.size());
   fissionable = in_fissionable;
   scatter_format = in_scatter_format;
   xs.resize(in_kTs.size());
@@ -73,7 +69,7 @@ void Mgxs::metadata_from_hdf5(hid_t xs_id, const vector<double>& temperature,
   }
   get_datasets(kT_group, dset_names);
   vector<size_t> shape = {num_temps};
-  xt::xarray<double> temps_available(shape);
+  tensor::Tensor<double> temps_available(shape);
   for (int i = 0; i < num_temps; i++) {
     read_double(kT_group, dset_names[i], &temps_available[i], true);
 
@@ -108,19 +104,7 @@ void Mgxs::metadata_from_hdf5(hid_t xs_id, const vector<double>& temperature,
     // Determine actual temperatures to read
     for (const auto& T : temperature) {
       // Determine the closest temperature value
-      // NOTE: the below block could be replaced with the following line,
-      // though this gives a runtime error if using LLVM 20 or newer,
-      // likely due to a bug in xtensor.
-      // auto i_closest = xt::argmin(xt::abs(temps_available - T))[0];
-      double closest = std::numeric_limits<double>::max();
-      int i_closest = 0;
-      for (int i = 0; i < temps_available.size(); i++) {
-        double diff = std::abs(temps_available[i] - T);
-        if (diff < closest) {
-          closest = diff;
-          i_closest = i;
-        }
-      }
+      auto i_closest = tensor::abs(temps_available - T).argmin();
 
       double temp_actual = temps_available[i_closest];
       if (std::fabs(temp_actual - T) < settings::temperature_tolerance) {
@@ -355,7 +339,7 @@ Mgxs::Mgxs(const std::string& in_name, const vector<double>& mat_kTs,
     for (int m = 0; m < micros.size(); m++) {
       switch (settings::temperature_method) {
       case TemperatureMethod::NEAREST: {
-        micro_t[m] = xt::argmin(xt::abs(micros[m]->kTs - temp_desired))[0];
+        micro_t[m] = tensor::abs(micros[m]->kTs - temp_desired).argmin();
         auto temp_actual = micros[m]->kTs[micro_t[m]];
 
         if (std::abs(temp_actual - temp_desired) >=
@@ -368,7 +352,7 @@ Mgxs::Mgxs(const std::string& in_name, const vector<double>& mat_kTs,
       case TemperatureMethod::INTERPOLATION:
         // Get a list of bounding temperatures for each actual temperature
         // present in the model
-        for (int k = 0; k < micros[m]->kTs.shape()[0] - 1; k++) {
+        for (int k = 0; k < micros[m]->kTs.shape(0) - 1; k++) {
           if ((micros[m]->kTs[k] <= temp_desired) &&
               (temp_desired < micros[m]->kTs[k + 1])) {
             micro_t[m] = k;
@@ -474,7 +458,7 @@ double Mgxs::get_xs(MgxsType xstype, int gin, const int* gout, const double* mu,
         val = xs_t->delayed_nu_fission(a, *dg, gin);
       } else {
         val = 0.;
-        for (int d = 0; d < xs_t->delayed_nu_fission.shape()[1]; d++) {
+        for (int d = 0; d < xs_t->delayed_nu_fission.shape(1); d++) {
           val += xs_t->delayed_nu_fission(a, d, gin);
         }
       }
@@ -489,7 +473,7 @@ double Mgxs::get_xs(MgxsType xstype, int gin, const int* gout, const double* mu,
       } else {
         // provide an outgoing group-wise sum
         val = 0.;
-        for (int g = 0; g < xs_t->chi_prompt.shape()[2]; g++) {
+        for (int g = 0; g < xs_t->chi_prompt.shape(2); g++) {
           val += xs_t->chi_prompt(a, gin, g);
         }
       }
@@ -508,13 +492,13 @@ double Mgxs::get_xs(MgxsType xstype, int gin, const int* gout, const double* mu,
       } else {
         if (dg != nullptr) {
           val = 0.;
-          for (int g = 0; g < xs_t->delayed_nu_fission.shape()[2]; g++) {
+          for (int g = 0; g < xs_t->delayed_nu_fission.shape(2); g++) {
             val += xs_t->delayed_nu_fission(a, *dg, gin, g);
           }
         } else {
           val = 0.;
-          for (int g = 0; g < xs_t->delayed_nu_fission.shape()[2]; g++) {
-            for (int d = 0; d < xs_t->delayed_nu_fission.shape()[3]; d++) {
+          for (int g = 0; g < xs_t->delayed_nu_fission.shape(2); g++) {
+            for (int d = 0; d < xs_t->delayed_nu_fission.shape(3); d++) {
               val += xs_t->delayed_nu_fission(a, d, gin, g);
             }
           }
@@ -650,7 +634,7 @@ bool Mgxs::equiv(const Mgxs& that)
 
 int Mgxs::get_temperature_index(double sqrtkT) const
 {
-  return xt::argmin(xt::abs(kTs - sqrtkT * sqrtkT))[0];
+  return tensor::abs(kTs - sqrtkT * sqrtkT).argmin();
 }
 
 //==============================================================================
diff --git a/src/nuclide.cpp b/src/nuclide.cpp
index 69e603a7c..17d6e952c 100644
--- a/src/nuclide.cpp
+++ b/src/nuclide.cpp
@@ -17,8 +17,7 @@
 
 #include <fmt/core.h>
 
-#include "xtensor/xbuilder.hpp"
-#include "xtensor/xview.hpp"
+#include "openmc/tensor.h"
 
 #include <algorithm> // for sort, min_element
 #include <cassert>
@@ -361,8 +360,7 @@ void Nuclide::create_derived(
 {
   for (const auto& grid : grid_) {
     // Allocate and initialize cross section
-    array<size_t, 2> shape {grid.energy.size(), 5};
-    xs_.emplace_back(shape, 0.0);
+    xs_.push_back(tensor::zeros<double>({grid.energy.size(), 5}));
   }
 
   reaction_index_.fill(C_NONE);
@@ -375,9 +373,8 @@ void Nuclide::create_derived(
     for (int t = 0; t < kTs_.size(); ++t) {
       int j = rx->xs_[t].threshold;
       int n = rx->xs_[t].value.size();
-      auto xs = xt::adapt(rx->xs_[t].value);
-      auto pprod = xt::view(xs_[t], xt::range(j, j + n), XS_PHOTON_PROD);
-
+      auto xs = tensor::Tensor<double>(
+        rx->xs_[t].value.data(), rx->xs_[t].value.size());
       for (const auto& p : rx->products_) {
         if (p.particle_.is_photon()) {
           for (int k = 0; k < n; ++k) {
@@ -396,7 +393,7 @@ void Nuclide::create_derived(
               }
             }
 
-            pprod[k] += f * xs[k] * (*p.yield_)(E);
+            xs_[t](j + k, XS_PHOTON_PROD) += f * xs[k] * (*p.yield_)(E);
           }
         }
       }
@@ -406,20 +403,17 @@ void Nuclide::create_derived(
         continue;
 
       // Add contribution to total cross section
-      auto total = xt::view(xs_[t], xt::range(j, j + n), XS_TOTAL);
-      total += xs;
+      xs_[t].slice(tensor::range(j, j + n), XS_TOTAL) += xs;
 
       // Add contribution to absorption cross section
-      auto absorption = xt::view(xs_[t], xt::range(j, j + n), XS_ABSORPTION);
       if (is_disappearance(rx->mt_)) {
-        absorption += xs;
+        xs_[t].slice(tensor::range(j, j + n), XS_ABSORPTION) += xs;
       }
 
       if (is_fission(rx->mt_)) {
         fissionable_ = true;
-        auto fission = xt::view(xs_[t], xt::range(j, j + n), XS_FISSION);
-        fission += xs;
-        absorption += xs;
+        xs_[t].slice(tensor::range(j, j + n), XS_FISSION) += xs;
+        xs_[t].slice(tensor::range(j, j + n), XS_ABSORPTION) += xs;
 
         // Keep track of fission reactions
         if (t == 0) {
@@ -510,7 +504,7 @@ void Nuclide::init_grid()
   double spacing = std::log(E_max / E_min) / M;
 
   // Create equally log-spaced energy grid
-  auto umesh = xt::linspace(0.0, M * spacing, M + 1);
+  auto umesh = tensor::linspace(0.0, M * spacing, M + 1);
 
   for (auto& grid : grid_) {
     // Resize array for storing grid indices
diff --git a/src/output.cpp b/src/output.cpp
index ae2daaffc..8f9802bb9 100644
--- a/src/output.cpp
+++ b/src/output.cpp
@@ -17,7 +17,7 @@
 #ifdef _OPENMP
 #include <omp.h>
 #endif
-#include "xtensor/xview.hpp"
+#include "openmc/tensor.h"
 
 #include "openmc/capi.h"
 #include "openmc/cell.h"
diff --git a/src/photon.cpp b/src/photon.cpp
index 951acb9fb..5e2ba6884 100644
--- a/src/photon.cpp
+++ b/src/photon.cpp
@@ -13,11 +13,7 @@
 #include "openmc/search.h"
 #include "openmc/settings.h"
 
-#include "xtensor/xbuilder.hpp"
-#include "xtensor/xmath.hpp"
-#include "xtensor/xoperation.hpp"
-#include "xtensor/xslice.hpp"
-#include "xtensor/xview.hpp"
+#include "openmc/tensor.h"
 
 #include <cmath>
 #include <fmt/core.h>
@@ -33,7 +29,7 @@ constexpr int PhotonInteraction::MAX_STACK_SIZE;
 
 namespace data {
 
-xt::xtensor<double, 1> compton_profile_pz;
+tensor::Tensor<double> compton_profile_pz;
 
 std::unordered_map<std::string, int> element_map;
 vector<unique_ptr<PhotonInteraction>> elements;
@@ -46,8 +42,6 @@ vector<unique_ptr<PhotonInteraction>> elements;
 
 PhotonInteraction::PhotonInteraction(hid_t group)
 {
-  using namespace xt::placeholders;
-
   // Set index of element in global vector
   index_ = data::elements.size();
 
@@ -96,7 +90,7 @@ PhotonInteraction::PhotonInteraction(hid_t group)
     read_dataset(rgroup, "xs", pair_production_electron_);
     close_group(rgroup);
   } else {
-    pair_production_electron_ = xt::zeros_like(energy_);
+    pair_production_electron_ = tensor::zeros_like(energy_);
   }
 
   // Read pair production
@@ -105,7 +99,7 @@ PhotonInteraction::PhotonInteraction(hid_t group)
     read_dataset(rgroup, "xs", pair_production_nuclear_);
     close_group(rgroup);
   } else {
-    pair_production_nuclear_ = xt::zeros_like(energy_);
+    pair_production_nuclear_ = tensor::zeros_like(energy_);
   }
 
   // Read photoelectric
@@ -119,7 +113,7 @@ PhotonInteraction::PhotonInteraction(hid_t group)
     read_dataset(rgroup, "xs", heating_);
     close_group(rgroup);
   } else {
-    heating_ = xt::zeros_like(energy_);
+    heating_ = tensor::zeros_like(energy_);
   }
 
   // Read subshell photoionization cross section and atomic relaxation data
@@ -133,7 +127,7 @@ PhotonInteraction::PhotonInteraction(hid_t group)
   }
 
   shells_.resize(n_shell);
-  cross_sections_ = xt::zeros<double>({energy_.size(), n_shell});
+  cross_sections_ = tensor::zeros<double>({energy_.size(), n_shell});
 
   // Create mapping from designator to index
   std::unordered_map<int, int> shell_map;
@@ -168,15 +162,17 @@ PhotonInteraction::PhotonInteraction(hid_t group)
     }
 
     // Read subshell cross section
-    xt::xtensor<double, 1> xs;
+    tensor::Tensor<double> xs;
     dset = open_dataset(tgroup, "xs");
     read_attribute(dset, "threshold_idx", shell.threshold);
     close_dataset(dset);
     read_dataset(tgroup, "xs", xs);
 
     auto cross_section =
-      xt::view(cross_sections_, xt::range(shell.threshold, _), i);
-    cross_section = xt::where(xs > 0, xt::log(xs), 0);
+      cross_sections_.slice(tensor::range(static_cast<size_t>(shell.threshold),
+                              cross_sections_.shape(0)),
+        i);
+    cross_section = tensor::where(xs > 0, tensor::log(xs), 0);
 
     if (object_exists(tgroup, "transitions")) {
       // Determine dimensions of transitions
@@ -186,11 +182,12 @@ PhotonInteraction::PhotonInteraction(hid_t group)
 
       int n_transition = dims[0];
       if (n_transition > 0) {
-        xt::xtensor<double, 2> matrix;
+        tensor::Tensor<double> matrix;
         read_dataset(tgroup, "transitions", matrix);
 
         // Transition probability normalization
-        double norm = xt::sum(xt::col(matrix, 3))();
+        double norm =
+          tensor::Tensor<double>(matrix.slice(tensor::all, 3)).sum();
 
         shell.transitions.resize(n_transition);
         for (int j = 0; j < n_transition; ++j) {
@@ -220,7 +217,7 @@ PhotonInteraction::PhotonInteraction(hid_t group)
 
   // Read electron shell PDF and binding energies
   read_dataset(rgroup, "num_electrons", electron_pdf_);
-  electron_pdf_ /= xt::sum(electron_pdf_);
+  electron_pdf_ /= electron_pdf_.sum();
   read_dataset(rgroup, "binding_energy", binding_energy_);
 
   // Read Compton profiles
@@ -238,7 +235,7 @@ PhotonInteraction::PhotonInteraction(hid_t group)
     auto is_close = [](double a, double b) {
       return std::abs(a - b) / a < FP_REL_PRECISION;
     };
-    subshell_map_ = xt::full_like(binding_energy_, -1);
+    subshell_map_ = tensor::Tensor<int>(binding_energy_.shape(), -1);
     for (int i = 0; i < binding_energy_.size(); ++i) {
       double E_b = binding_energy_[i];
       if (i < n_shell && is_close(E_b, shells_[i].binding_energy)) {
@@ -257,7 +254,7 @@ PhotonInteraction::PhotonInteraction(hid_t group)
   // Create Compton profile CDF
   auto n_profile = data::compton_profile_pz.size();
   auto n_shell_compton = profile_pdf_.shape(0);
-  profile_cdf_ = xt::empty<double>({n_shell_compton, n_profile});
+  profile_cdf_ = tensor::Tensor<double>({n_shell_compton, n_profile});
   for (int i = 0; i < n_shell_compton; ++i) {
     double c = 0.0;
     profile_cdf_(i, 0) = 0.0;
@@ -276,11 +273,11 @@ PhotonInteraction::PhotonInteraction(hid_t group)
     // Read bremsstrahlung scaled DCS
     rgroup = open_group(group, "bremsstrahlung");
     read_dataset(rgroup, "dcs", dcs_);
-    auto n_e = dcs_.shape()[0];
-    auto n_k = dcs_.shape()[1];
+    auto n_e = dcs_.shape(0);
+    auto n_k = dcs_.shape(1);
 
     // Get energy grids used for bremsstrahlung DCS and for stopping powers
-    xt::xtensor<double, 1> electron_energy;
+    tensor::Tensor<double> electron_energy;
     read_dataset(rgroup, "electron_energy", electron_energy);
     if (data::ttb_k_grid.size() == 0) {
       read_dataset(rgroup, "photon_energy", data::ttb_k_grid);
@@ -305,12 +302,12 @@ PhotonInteraction::PhotonInteraction(hid_t group)
                  (std::log(E(i_grid + 1)) - std::log(E(i_grid)));
 
       // Interpolate bremsstrahlung DCS at the cutoff energy and truncate
-      xt::xtensor<double, 2> dcs({n_e - i_grid, n_k});
+      tensor::Tensor<double> dcs({n_e - i_grid, n_k});
       for (int i = 0; i < n_k; ++i) {
         double y = std::exp(
           std::log(dcs_(i_grid, i)) +
           f * (std::log(dcs_(i_grid + 1, i)) - std::log(dcs_(i_grid, i))));
-        auto col_i = xt::view(dcs, xt::all(), i);
+        tensor::View<double> col_i = dcs.slice(tensor::all, i);
         col_i(0) = y;
         for (int j = i_grid + 1; j < n_e; ++j) {
           col_i(j - i_grid) = dcs_(j, i);
@@ -318,9 +315,11 @@ PhotonInteraction::PhotonInteraction(hid_t group)
       }
       dcs_ = dcs;
 
-      xt::xtensor<double, 1> frst {cutoff};
-      electron_energy = xt::concatenate(xt::xtuple(
-        frst, xt::view(electron_energy, xt::range(i_grid + 1, n_e))));
+      tensor::Tensor<double> frst({static_cast<size_t>(1)});
+      frst(0) = cutoff;
+      tensor::Tensor<double> rest(electron_energy.slice(
+        tensor::range(i_grid + 1, electron_energy.size())));
+      electron_energy = tensor::concatenate(frst, rest);
     }
 
     // Set incident particle energy grid
@@ -329,7 +328,8 @@ PhotonInteraction::PhotonInteraction(hid_t group)
     }
 
     // Calculate the radiative stopping power
-    stopping_power_radiative_ = xt::empty<double>({data::ttb_e_grid.size()});
+    stopping_power_radiative_ =
+      tensor::Tensor<double>({data::ttb_e_grid.size()});
     for (int i = 0; i < data::ttb_e_grid.size(); ++i) {
       // Integrate over reduced photon energy
       double c = 0.0;
@@ -354,14 +354,15 @@ PhotonInteraction::PhotonInteraction(hid_t group)
   // values below exp(-499) we store the log as -900, for which exp(-900)
   // evaluates to zero.
   double limit = std::exp(-499.0);
-  energy_ = xt::log(energy_);
-  coherent_ = xt::where(coherent_ > limit, xt::log(coherent_), -900.0);
-  incoherent_ = xt::where(incoherent_ > limit, xt::log(incoherent_), -900.0);
-  photoelectric_total_ = xt::where(
-    photoelectric_total_ > limit, xt::log(photoelectric_total_), -900.0);
-  pair_production_total_ = xt::where(
-    pair_production_total_ > limit, xt::log(pair_production_total_), -900.0);
-  heating_ = xt::where(heating_ > limit, xt::log(heating_), -900.0);
+  energy_ = tensor::log(energy_);
+  coherent_ = tensor::where(coherent_ > limit, tensor::log(coherent_), -900.0);
+  incoherent_ =
+    tensor::where(incoherent_ > limit, tensor::log(incoherent_), -900.0);
+  photoelectric_total_ = tensor::where(
+    photoelectric_total_ > limit, tensor::log(photoelectric_total_), -900.0);
+  pair_production_total_ = tensor::where(pair_production_total_ > limit,
+    tensor::log(pair_production_total_), -900.0);
+  heating_ = tensor::where(heating_ > limit, tensor::log(heating_), -900.0);
 }
 
 PhotonInteraction::~PhotonInteraction()
@@ -512,7 +513,7 @@ void PhotonInteraction::compton_doppler(
     c = prn(seed) * c_max;
 
     // Determine pz corresponding to sampled cdf value
-    auto cdf_shell = xt::view(profile_cdf_, shell, xt::all());
+    tensor::View<const double> cdf_shell = profile_cdf_.slice(shell);
     int i = lower_bound_index(cdf_shell.cbegin(), cdf_shell.cend(), c);
     double pz_l = data::compton_profile_pz(i);
     double pz_r = data::compton_profile_pz(i + 1);
@@ -608,8 +609,8 @@ void PhotonInteraction::calculate_xs(Particle& p) const
 
   // Calculate microscopic photoelectric cross section
   xs.photoelectric = 0.0;
-  const auto& xs_lower = xt::row(cross_sections_, i_grid);
-  const auto& xs_upper = xt::row(cross_sections_, i_grid + 1);
+  tensor::View<const double> xs_lower = cross_sections_.slice(i_grid);
+  tensor::View<const double> xs_upper = cross_sections_.slice(i_grid + 1);
 
   for (int i = 0; i < xs_upper.size(); ++i)
     if (xs_lower(i) != 0)
diff --git a/src/physics.cpp b/src/physics.cpp
index 1f72e4fac..c9737205c 100644
--- a/src/physics.cpp
+++ b/src/physics.cpp
@@ -30,9 +30,9 @@
 
 #include <fmt/core.h>
 
+#include "openmc/tensor.h"
 #include <algorithm> // for max, min, max_element
 #include <cmath>     // for sqrt, exp, log, abs, copysign
-#include <xtensor/xview.hpp>
 
 namespace openmc {
 
@@ -375,8 +375,9 @@ void sample_photon_reaction(Particle& p)
     // cross sections
     int i_grid = micro.index_grid;
     double f = micro.interp_factor;
-    const auto& xs_lower = xt::row(element.cross_sections_, i_grid);
-    const auto& xs_upper = xt::row(element.cross_sections_, i_grid + 1);
+    tensor::View<const double> xs_lower = element.cross_sections_.slice(i_grid);
+    tensor::View<const double> xs_upper =
+      element.cross_sections_.slice(i_grid + 1);
 
     for (int i_shell = 0; i_shell < element.shells_.size(); ++i_shell) {
       const auto& shell {element.shells_[i_shell]};
diff --git a/src/physics_mg.cpp b/src/physics_mg.cpp
index 58a21a678..32ae10a60 100644
--- a/src/physics_mg.cpp
+++ b/src/physics_mg.cpp
@@ -2,7 +2,7 @@
 
 #include <stdexcept>
 
-#include "xtensor/xarray.hpp"
+#include "openmc/tensor.h"
 #include <fmt/core.h>
 
 #include "openmc/bank.h"
diff --git a/src/plot.cpp b/src/plot.cpp
index e3b1e84c8..ea0555202 100644
--- a/src/plot.cpp
+++ b/src/plot.cpp
@@ -7,8 +7,7 @@
 #include <fstream>
 #include <sstream>
 
-#include "xtensor/xmanipulation.hpp"
-#include "xtensor/xview.hpp"
+#include "openmc/tensor.h"
 #include <fmt/core.h>
 #include <fmt/ostream.h>
 #ifdef USE_LIBPNG
@@ -74,7 +73,8 @@ void IdData::set_value(size_t y, size_t x, const GeometryState& p, int level)
 
 void IdData::set_overlap(size_t y, size_t x)
 {
-  xt::view(data_, y, x, xt::all()) = OVERLAP;
+  for (size_t k = 0; k < data_.shape(2); ++k)
+    data_(y, x, k) = OVERLAP;
 }
 
 PropertyData::PropertyData(size_t h_res, size_t v_res)
@@ -783,14 +783,14 @@ void output_ppm(const std::string& filename, const ImageData& data)
 
   // Write header
   of << "P6\n";
-  of << data.shape()[0] << " " << data.shape()[1] << "\n";
+  of << data.shape(0) << " " << data.shape(1) << "\n";
   of << "255\n";
   of.close();
 
   of.open(fname, std::ios::binary | std::ios::app);
   // Write color for each pixel
-  for (int y = 0; y < data.shape()[1]; y++) {
-    for (int x = 0; x < data.shape()[0]; x++) {
+  for (int y = 0; y < data.shape(1); y++) {
+    for (int x = 0; x < data.shape(0); x++) {
       RGBColor rgb = data(x, y);
       of << rgb.red << rgb.green << rgb.blue;
     }
@@ -822,8 +822,8 @@ void output_png(const std::string& filename, const ImageData& data)
   png_init_io(png_ptr, fp);
 
   // Write header (8 bit colour depth)
-  int width = data.shape()[0];
-  int height = data.shape()[1];
+  int width = data.shape(0);
+  int height = data.shape(1);
   png_set_IHDR(png_ptr, info_ptr, width, height, 8, PNG_COLOR_TYPE_RGB,
     PNG_INTERLACE_NONE, PNG_COMPRESSION_TYPE_BASE, PNG_FILTER_TYPE_BASE);
   png_write_info(png_ptr, info_ptr);
@@ -1024,9 +1024,14 @@ void Plot::create_voxel() const
 
     // select only cell/material ID data and flip the y-axis
     int idx = color_by_ == PlotColorBy::cells ? 0 : 2;
-    xt::xtensor<int32_t, 2> data_slice =
-      xt::view(ids.data_, xt::all(), xt::all(), idx);
-    xt::xtensor<int32_t, 2> data_flipped = xt::flip(data_slice, 0);
+    // Extract 2D slice at index idx from 3D data
+    size_t rows = ids.data_.shape(0);
+    size_t cols = ids.data_.shape(1);
+    tensor::Tensor<int32_t> data_slice({rows, cols});
+    for (size_t r = 0; r < rows; ++r)
+      for (size_t c = 0; c < cols; ++c)
+        data_slice(r, c) = ids.data_(r, c, idx);
+    tensor::Tensor<int32_t> data_flipped = data_slice.flip(0);
 
     // Write to HDF5 dataset
     voxel_write_slice(z, dspace, dset, memspace, data_flipped.data());
@@ -1272,7 +1277,8 @@ ImageData WireframeRayTracePlot::create_image() const
   // This array marks where the initial wireframe was drawn. We convolve it with
   // a filter that gets adjusted with the wireframe thickness in order to
   // thicken the lines.
-  xt::xtensor<int, 2> wireframe_initial({width, height}, 0);
+  tensor::Tensor<int> wireframe_initial(
+    {static_cast<size_t>(width), static_cast<size_t>(height)}, 0);
 
   /* Holds all of the track segments for the current rendered line of pixels.
    * old_segments holds a copy of this_line_segments from the previous line.
diff --git a/src/random_ray/flat_source_domain.cpp b/src/random_ray/flat_source_domain.cpp
index 13a1b0163..b881ced71 100644
--- a/src/random_ray/flat_source_domain.cpp
+++ b/src/random_ray/flat_source_domain.cpp
@@ -18,6 +18,7 @@
 #include "openmc/weight_windows.h"
 
 #include <cstdio>
+#include <numeric>
 
 namespace openmc {
 
@@ -63,8 +64,7 @@ FlatSourceDomain::FlatSourceDomain() : negroups_(data::mg.num_energy_groups_)
 
       // Create a new 2D tensor with the same size as the first
       // two dimensions of the 3D tensor
-      tally_volumes_[i] =
-        xt::xtensor<double, 2>::from_shape({shape[0], shape[1]});
+      tally_volumes_[i] = tensor::Tensor<double>({shape[0], shape[1]});
     }
   }
 
diff --git a/src/random_ray/random_ray.cpp b/src/random_ray/random_ray.cpp
index 47d901d63..44e161a8e 100644
--- a/src/random_ray/random_ray.cpp
+++ b/src/random_ray/random_ray.cpp
@@ -10,6 +10,8 @@
 #include "openmc/settings.h"
 #include "openmc/simulation.h"
 
+#include <numeric>
+
 #include "openmc/distribution_spatial.h"
 #include "openmc/random_dist.h"
 #include "openmc/source.h"
diff --git a/src/scattdata.cpp b/src/scattdata.cpp
index 21b18cbd9..9aa09956d 100644
--- a/src/scattdata.cpp
+++ b/src/scattdata.cpp
@@ -4,8 +4,7 @@
 #include <cmath>
 #include <numeric>
 
-#include "xtensor/xbuilder.hpp"
-#include "xtensor/xview.hpp"
+#include "openmc/tensor.h"
 
 #include "openmc/constants.h"
 #include "openmc/error.h"
@@ -19,8 +18,8 @@ namespace openmc {
 // ScattData base-class methods
 //==============================================================================
 
-void ScattData::base_init(int order, const xt::xtensor<int, 1>& in_gmin,
-  const xt::xtensor<int, 1>& in_gmax, const double_2dvec& in_energy,
+void ScattData::base_init(int order, const tensor::Tensor<int>& in_gmin,
+  const tensor::Tensor<int>& in_gmax, const double_2dvec& in_energy,
   const double_2dvec& in_mult)
 {
   size_t groups = in_energy.size();
@@ -63,23 +62,26 @@ void ScattData::base_init(int order, const xt::xtensor<int, 1>& in_gmin,
 
 void ScattData::base_combine(size_t max_order, size_t order_dim,
   const vector<ScattData*>& those_scatts, const vector<double>& scalars,
-  xt::xtensor<int, 1>& in_gmin, xt::xtensor<int, 1>& in_gmax,
+  tensor::Tensor<int>& in_gmin, tensor::Tensor<int>& in_gmax,
   double_2dvec& sparse_mult, double_3dvec& sparse_scatter)
 {
   size_t groups = those_scatts[0]->energy.size();
 
   // Now allocate and zero our storage spaces
-  xt::xtensor<double, 3> this_nuscatt_matrix({groups, groups, order_dim}, 0.);
-  xt::xtensor<double, 2> this_nuscatt_P0({groups, groups}, 0.);
-  xt::xtensor<double, 2> this_scatt_P0({groups, groups}, 0.);
-  xt::xtensor<double, 2> this_mult({groups, groups}, 1.);
+  tensor::Tensor<double> this_nuscatt_matrix =
+    tensor::zeros<double>({groups, groups, order_dim});
+  tensor::Tensor<double> this_nuscatt_P0 =
+    tensor::zeros<double>({groups, groups});
+  tensor::Tensor<double> this_scatt_P0 =
+    tensor::zeros<double>({groups, groups});
+  tensor::Tensor<double> this_mult = tensor::ones<double>({groups, groups});
 
   // Build the dense scattering and multiplicity matrices
   for (int i = 0; i < those_scatts.size(); i++) {
     ScattData* that = those_scatts[i];
 
     // Build the dense matrix for that object
-    xt::xtensor<double, 3> that_matrix = that->get_matrix(max_order);
+    tensor::Tensor<double> that_matrix = that->get_matrix(max_order);
 
     // Now add that to this for the nu-scatter matrix
     this_nuscatt_matrix += scalars[i] * that_matrix;
@@ -97,7 +99,7 @@ void ScattData::base_combine(size_t max_order, size_t order_dim,
 
   // Now we have the dense nuscatt and scatt, we can easily compute the
   // multiplicity matrix by dividing the two and fixing any nans
-  this_mult = xt::nan_to_num(this_nuscatt_P0 / this_scatt_P0);
+  this_mult = tensor::nan_to_num(this_nuscatt_P0 / this_scatt_P0);
 
   // We have the data, now we need to convert to a jagged array and then use
   // the initialize function to store it on the object.
@@ -106,7 +108,7 @@ void ScattData::base_combine(size_t max_order, size_t order_dim,
     int gmin_;
     for (gmin_ = 0; gmin_ < groups; gmin_++) {
       bool non_zero = false;
-      for (int l = 0; l < this_nuscatt_matrix.shape()[2]; l++) {
+      for (int l = 0; l < this_nuscatt_matrix.shape(2); l++) {
         if (this_nuscatt_matrix(gin, gmin_, l) != 0.) {
           non_zero = true;
           break;
@@ -118,7 +120,7 @@ void ScattData::base_combine(size_t max_order, size_t order_dim,
     int gmax_;
     for (gmax_ = groups - 1; gmax_ >= 0; gmax_--) {
       bool non_zero = false;
-      for (int l = 0; l < this_nuscatt_matrix.shape()[2]; l++) {
+      for (int l = 0; l < this_nuscatt_matrix.shape(2); l++) {
         if (this_nuscatt_matrix(gin, gmax_, l) != 0.) {
           non_zero = true;
           break;
@@ -143,8 +145,8 @@ void ScattData::base_combine(size_t max_order, size_t order_dim,
     sparse_mult[gin].resize(gmax_ - gmin_ + 1);
     int i_gout = 0;
     for (int gout = gmin_; gout <= gmax_; gout++) {
-      sparse_scatter[gin][i_gout].resize(this_nuscatt_matrix.shape()[2]);
-      for (int l = 0; l < this_nuscatt_matrix.shape()[2]; l++) {
+      sparse_scatter[gin][i_gout].resize(this_nuscatt_matrix.shape(2));
+      for (int l = 0; l < this_nuscatt_matrix.shape(2); l++) {
         sparse_scatter[gin][i_gout][l] = this_nuscatt_matrix(gin, gout, l);
       }
       sparse_mult[gin][i_gout] = this_mult(gin, gout);
@@ -227,8 +229,8 @@ double ScattData::get_xs(
 // ScattDataLegendre methods
 //==============================================================================
 
-void ScattDataLegendre::init(const xt::xtensor<int, 1>& in_gmin,
-  const xt::xtensor<int, 1>& in_gmax, const double_2dvec& in_mult,
+void ScattDataLegendre::init(const tensor::Tensor<int>& in_gmin,
+  const tensor::Tensor<int>& in_gmax, const double_2dvec& in_mult,
   const double_3dvec& coeffs)
 {
   size_t groups = coeffs.size();
@@ -239,7 +241,7 @@ void ScattDataLegendre::init(const xt::xtensor<int, 1>& in_gmin,
 
   // Get the scattering cross section value by summing the un-normalized P0
   // coefficient in the variable matrix over all outgoing groups.
-  scattxs = xt::zeros<double>({groups});
+  scattxs = tensor::zeros<double>({groups});
   for (int gin = 0; gin < groups; gin++) {
     int num_groups = in_gmax[gin] - in_gmin[gin] + 1;
     for (int i_gout = 0; i_gout < num_groups; i_gout++) {
@@ -386,8 +388,8 @@ void ScattDataLegendre::combine(
 
   size_t groups = those_scatts[0]->energy.size();
 
-  xt::xtensor<int, 1> in_gmin({groups}, 0);
-  xt::xtensor<int, 1> in_gmax({groups}, 0);
+  tensor::Tensor<int> in_gmin({groups}, 0);
+  tensor::Tensor<int> in_gmax({groups}, 0);
   double_3dvec sparse_scatter(groups);
   double_2dvec sparse_mult(groups);
 
@@ -404,12 +406,13 @@ void ScattDataLegendre::combine(
 
 //==============================================================================
 
-xt::xtensor<double, 3> ScattDataLegendre::get_matrix(size_t max_order)
+tensor::Tensor<double> ScattDataLegendre::get_matrix(size_t max_order)
 {
   // Get the sizes and initialize the data to 0
   size_t groups = energy.size();
   size_t order_dim = max_order + 1;
-  xt::xtensor<double, 3> matrix({groups, groups, order_dim}, 0.);
+  tensor::Tensor<double> matrix =
+    tensor::zeros<double>({groups, groups, order_dim});
 
   for (int gin = 0; gin < groups; gin++) {
     for (int i_gout = 0; i_gout < energy[gin].size(); i_gout++) {
@@ -427,8 +430,8 @@ xt::xtensor<double, 3> ScattDataLegendre::get_matrix(size_t max_order)
 // ScattDataHistogram methods
 //==============================================================================
 
-void ScattDataHistogram::init(const xt::xtensor<int, 1>& in_gmin,
-  const xt::xtensor<int, 1>& in_gmax, const double_2dvec& in_mult,
+void ScattDataHistogram::init(const tensor::Tensor<int>& in_gmin,
+  const tensor::Tensor<int>& in_gmax, const double_2dvec& in_mult,
   const double_3dvec& coeffs)
 {
   size_t groups = coeffs.size();
@@ -439,7 +442,7 @@ void ScattDataHistogram::init(const xt::xtensor<int, 1>& in_gmin,
 
   // Get the scattering cross section value by summing the distribution
   // over all the histogram bins in angle and outgoing energy groups
-  scattxs = xt::zeros<double>({groups});
+  scattxs = tensor::zeros<double>({groups});
   for (int gin = 0; gin < groups; gin++) {
     for (int i_gout = 0; i_gout < matrix[gin].size(); i_gout++) {
       scattxs[gin] += std::accumulate(
@@ -468,7 +471,7 @@ void ScattDataHistogram::init(const xt::xtensor<int, 1>& in_gmin,
   ScattData::base_init(order, in_gmin, in_gmax, in_energy, in_mult);
 
   // Build the angular distribution mu values
-  mu = xt::linspace(-1., 1., order + 1);
+  mu = tensor::linspace(-1., 1., order + 1);
   dmu = 2. / order;
 
   // Calculate f(mu) and integrate it so we can avoid rejection sampling
@@ -513,7 +516,7 @@ double ScattDataHistogram::calc_f(int gin, int gout, double mu)
     int imu;
     if (mu == 1.) {
       // use size -2 to have the index one before the end
-      imu = this->mu.shape()[0] - 2;
+      imu = this->mu.shape(0) - 2;
     } else {
       imu = std::floor((mu + 1.) / dmu + 1.) - 1;
     }
@@ -559,13 +562,13 @@ void ScattDataHistogram::sample(
 
 //==============================================================================
 
-xt::xtensor<double, 3> ScattDataHistogram::get_matrix(size_t max_order)
+tensor::Tensor<double> ScattDataHistogram::get_matrix(size_t max_order)
 {
   // Get the sizes and initialize the data to 0
   size_t groups = energy.size();
   // We ignore the requested order for Histogram and Tabular representations
   size_t order_dim = get_order();
-  xt::xtensor<double, 3> matrix({groups, groups, order_dim}, 0);
+  tensor::Tensor<double> matrix({groups, groups, order_dim}, 0);
 
   for (int gin = 0; gin < groups; gin++) {
     for (int i_gout = 0; i_gout < energy[gin].size(); i_gout++) {
@@ -600,8 +603,8 @@ void ScattDataHistogram::combine(
 
   size_t groups = those_scatts[0]->energy.size();
 
-  xt::xtensor<int, 1> in_gmin({groups}, 0);
-  xt::xtensor<int, 1> in_gmax({groups}, 0);
+  tensor::Tensor<int> in_gmin({groups}, 0);
+  tensor::Tensor<int> in_gmax({groups}, 0);
   double_3dvec sparse_scatter(groups);
   double_2dvec sparse_mult(groups);
 
@@ -620,8 +623,8 @@ void ScattDataHistogram::combine(
 // ScattDataTabular methods
 //==============================================================================
 
-void ScattDataTabular::init(const xt::xtensor<int, 1>& in_gmin,
-  const xt::xtensor<int, 1>& in_gmax, const double_2dvec& in_mult,
+void ScattDataTabular::init(const tensor::Tensor<int>& in_gmin,
+  const tensor::Tensor<int>& in_gmax, const double_2dvec& in_mult,
   const double_3dvec& coeffs)
 {
   size_t groups = coeffs.size();
@@ -631,12 +634,12 @@ void ScattDataTabular::init(const xt::xtensor<int, 1>& in_gmin,
   double_3dvec matrix = coeffs;
 
   // Build the angular distribution mu values
-  mu = xt::linspace(-1., 1., order);
+  mu = tensor::linspace(-1., 1., order);
   dmu = 2. / (order - 1);
 
   // Get the scattering cross section value by integrating the distribution
   // over all mu points and then combining over all outgoing groups
-  scattxs = xt::zeros<double>({groups});
+  scattxs = tensor::zeros<double>({groups});
   for (int gin = 0; gin < groups; gin++) {
     for (int i_gout = 0; i_gout < matrix[gin].size(); i_gout++) {
       for (int imu = 1; imu < order; imu++) {
@@ -713,7 +716,7 @@ double ScattDataTabular::calc_f(int gin, int gout, double mu)
     int imu;
     if (mu == 1.) {
       // use size -2 to have the index one before the end
-      imu = this->mu.shape()[0] - 2;
+      imu = this->mu.shape(0) - 2;
     } else {
       imu = std::floor((mu + 1.) / dmu + 1.) - 1;
     }
@@ -734,7 +737,7 @@ void ScattDataTabular::sample(
   sample_energy(gin, gout, i_gout, seed);
 
   // Determine the outgoing cosine bin
-  int NP = this->mu.shape()[0];
+  int NP = this->mu.shape(0);
   double xi = prn(seed);
 
   double c_k = dist[gin][i_gout][0];
@@ -776,13 +779,14 @@ void ScattDataTabular::sample(
 
 //==============================================================================
 
-xt::xtensor<double, 3> ScattDataTabular::get_matrix(size_t max_order)
+tensor::Tensor<double> ScattDataTabular::get_matrix(size_t max_order)
 {
   // Get the sizes and initialize the data to 0
   size_t groups = energy.size();
   // We ignore the requested order for Histogram and Tabular representations
   size_t order_dim = get_order();
-  xt::xtensor<double, 3> matrix({groups, groups, order_dim}, 0.);
+  tensor::Tensor<double> matrix =
+    tensor::zeros<double>({groups, groups, order_dim});
 
   for (int gin = 0; gin < groups; gin++) {
     for (int i_gout = 0; i_gout < energy[gin].size(); i_gout++) {
@@ -816,8 +820,8 @@ void ScattDataTabular::combine(
 
   size_t groups = those_scatts[0]->energy.size();
 
-  xt::xtensor<int, 1> in_gmin({groups}, 0);
-  xt::xtensor<int, 1> in_gmax({groups}, 0);
+  tensor::Tensor<int> in_gmin({groups}, 0);
+  tensor::Tensor<int> in_gmax({groups}, 0);
   double_3dvec sparse_scatter(groups);
   double_2dvec sparse_mult(groups);
 
@@ -854,7 +858,7 @@ void convert_legendre_to_tabular(ScattDataLegendre& leg, ScattDataTabular& tab)
   tab.scattxs = leg.scattxs;
 
   // Build mu and dmu
-  tab.mu = xt::linspace(-1., 1., n_mu);
+  tab.mu = tensor::linspace(-1., 1., n_mu);
   tab.dmu = 2. / (n_mu - 1);
 
   // Calculate f(mu) and integrate it so we can avoid rejection sampling
diff --git a/src/secondary_correlated.cpp b/src/secondary_correlated.cpp
index e820419b4..cc0ab8af1 100644
--- a/src/secondary_correlated.cpp
+++ b/src/secondary_correlated.cpp
@@ -5,8 +5,7 @@
 #include <cstddef>  // for size_t
 #include <iterator> // for back_inserter
 
-#include "xtensor/xarray.hpp"
-#include "xtensor/xview.hpp"
+#include "openmc/tensor.h"
 
 #include "openmc/endf.h"
 #include "openmc/hdf5_interface.h"
@@ -26,11 +25,11 @@ CorrelatedAngleEnergy::CorrelatedAngleEnergy(hid_t group)
   hid_t dset = open_dataset(group, "energy");
 
   // Get interpolation parameters
-  xt::xarray<int> temp;
+  tensor::Tensor<int> temp;
   read_attribute(dset, "interpolation", temp);
 
-  auto temp_b = xt::view(temp, 0); // view of breakpoints
-  auto temp_i = xt::view(temp, 1); // view of interpolation parameters
+  tensor::View<int> temp_b = temp.slice(0); // breakpoints
+  tensor::View<int> temp_i = temp.slice(1); // interpolation parameters
 
   std::copy(temp_b.begin(), temp_b.end(), std::back_inserter(breakpoints_));
   for (const auto i : temp_i)
@@ -51,12 +50,12 @@ CorrelatedAngleEnergy::CorrelatedAngleEnergy(hid_t group)
   read_attribute(dset, "interpolation", interp);
   read_attribute(dset, "n_discrete_lines", n_discrete);
 
-  xt::xarray<double> eout;
+  tensor::Tensor<double> eout;
   read_dataset(dset, eout);
   close_dataset(dset);
 
   // Read angle distributions
-  xt::xarray<double> mu;
+  tensor::Tensor<double> mu;
   read_dataset(group, "mu", mu);
 
   for (int i = 0; i < n_energy; ++i) {
@@ -66,7 +65,7 @@ CorrelatedAngleEnergy::CorrelatedAngleEnergy(hid_t group)
     if (i < n_energy - 1) {
       n = offsets[i + 1] - j;
     } else {
-      n = eout.shape()[1] - j;
+      n = eout.shape(1) - j;
     }
 
     // Assign interpolation scheme and number of discrete lines
@@ -75,9 +74,9 @@ CorrelatedAngleEnergy::CorrelatedAngleEnergy(hid_t group)
     d.n_discrete = n_discrete[i];
 
     // Copy data
-    d.e_out = xt::view(eout, 0, xt::range(j, j + n));
-    d.p = xt::view(eout, 1, xt::range(j, j + n));
-    d.c = xt::view(eout, 2, xt::range(j, j + n));
+    d.e_out = eout.slice(0, tensor::range(j, j + n));
+    d.p = eout.slice(1, tensor::range(j, j + n));
+    d.c = eout.slice(2, tensor::range(j, j + n));
 
     // To get answers that match ACE data, for now we still use the tabulated
     // CDF values that were passed through to the HDF5 library. At a later
@@ -119,10 +118,10 @@ CorrelatedAngleEnergy::CorrelatedAngleEnergy(hid_t group)
       // Determine offset and size of distribution
       int offset_mu = std::lround(eout(4, offsets[i] + j));
       int m;
-      if (offsets[i] + j + 1 < eout.shape()[1]) {
+      if (offsets[i] + j + 1 < eout.shape(1)) {
         m = std::lround(eout(4, offsets[i] + j + 1)) - offset_mu;
       } else {
-        m = mu.shape()[1] - offset_mu;
+        m = mu.shape(1) - offset_mu;
       }
 
       // For incoherent inelastic thermal scattering, the angle distributions
@@ -133,9 +132,12 @@ CorrelatedAngleEnergy::CorrelatedAngleEnergy(hid_t group)
         interp_mu = 1;
 
       auto interp = int2interp(interp_mu);
-      auto xs = xt::view(mu, 0, xt::range(offset_mu, offset_mu + m));
-      auto ps = xt::view(mu, 1, xt::range(offset_mu, offset_mu + m));
-      auto cs = xt::view(mu, 2, xt::range(offset_mu, offset_mu + m));
+      tensor::View<double> xs =
+        mu.slice(0, tensor::range(offset_mu, offset_mu + m));
+      tensor::View<double> ps =
+        mu.slice(1, tensor::range(offset_mu, offset_mu + m));
+      tensor::View<double> cs =
+        mu.slice(2, tensor::range(offset_mu, offset_mu + m));
 
       vector<double> x {xs.begin(), xs.end()};
       vector<double> p {ps.begin(), ps.end()};
diff --git a/src/secondary_kalbach.cpp b/src/secondary_kalbach.cpp
index 6ac91e665..8470c8c18 100644
--- a/src/secondary_kalbach.cpp
+++ b/src/secondary_kalbach.cpp
@@ -5,8 +5,7 @@
 #include <cstddef>   // for size_t
 #include <iterator>  // for back_inserter
 
-#include "xtensor/xarray.hpp"
-#include "xtensor/xview.hpp"
+#include "openmc/tensor.h"
 
 #include "openmc/hdf5_interface.h"
 #include "openmc/math_functions.h"
@@ -27,11 +26,11 @@ KalbachMann::KalbachMann(hid_t group)
   hid_t dset = open_dataset(group, "energy");
 
   // Get interpolation parameters
-  xt::xarray<int> temp;
+  tensor::Tensor<int> temp;
   read_attribute(dset, "interpolation", temp);
 
-  auto temp_b = xt::view(temp, 0); // view of breakpoints
-  auto temp_i = xt::view(temp, 1); // view of interpolation parameters
+  tensor::View<int> temp_b = temp.slice(0); // breakpoints
+  tensor::View<int> temp_i = temp.slice(1); // interpolation parameters
 
   std::copy(temp_b.begin(), temp_b.end(), std::back_inserter(breakpoints_));
   for (const auto i : temp_i)
@@ -52,7 +51,7 @@ KalbachMann::KalbachMann(hid_t group)
   read_attribute(dset, "interpolation", interp);
   read_attribute(dset, "n_discrete_lines", n_discrete);
 
-  xt::xarray<double> eout;
+  tensor::Tensor<double> eout;
   read_dataset(dset, eout);
   close_dataset(dset);
 
@@ -63,7 +62,7 @@ KalbachMann::KalbachMann(hid_t group)
     if (i < n_energy - 1) {
       n = offsets[i + 1] - j;
     } else {
-      n = eout.shape()[1] - j;
+      n = eout.shape(1) - j;
     }
 
     // Assign interpolation scheme and number of discrete lines
@@ -72,11 +71,11 @@ KalbachMann::KalbachMann(hid_t group)
     d.n_discrete = n_discrete[i];
 
     // Copy data
-    d.e_out = xt::view(eout, 0, xt::range(j, j + n));
-    d.p = xt::view(eout, 1, xt::range(j, j + n));
-    d.c = xt::view(eout, 2, xt::range(j, j + n));
-    d.r = xt::view(eout, 3, xt::range(j, j + n));
-    d.a = xt::view(eout, 4, xt::range(j, j + n));
+    d.e_out = eout.slice(0, tensor::range(j, j + n));
+    d.p = eout.slice(1, tensor::range(j, j + n));
+    d.c = eout.slice(2, tensor::range(j, j + n));
+    d.r = eout.slice(3, tensor::range(j, j + n));
+    d.a = eout.slice(4, tensor::range(j, j + n));
 
     // To get answers that match ACE data, for now we still use the tabulated
     // CDF values that were passed through to the HDF5 library. At a later
diff --git a/src/secondary_thermal.cpp b/src/secondary_thermal.cpp
index 030d398aa..2ab7d8a63 100644
--- a/src/secondary_thermal.cpp
+++ b/src/secondary_thermal.cpp
@@ -5,7 +5,7 @@
 #include "openmc/random_lcg.h"
 #include "openmc/search.h"
 
-#include "xtensor/xview.hpp"
+#include "openmc/tensor.h"
 
 #include <cassert>
 #include <cmath> // for log, exp
@@ -85,7 +85,7 @@ void IncoherentElasticAEDiscrete::sample(
   // incoming energies.
 
   // Sample outgoing cosine bin
-  int n_mu = mu_out_.shape()[1];
+  int n_mu = mu_out_.shape(1);
   int k = prn(seed) * n_mu;
 
   // Rather than use the sampled discrete mu directly, it is smeared over
@@ -145,7 +145,7 @@ void IncoherentInelasticAEDiscrete::sample(
   // probability of 1). Otherwise, each bin is equally probable.
 
   int j;
-  int n = energy_out_.shape()[1];
+  int n = energy_out_.shape(1);
   if (!skewed_) {
     // All bins equally likely
     j = prn(seed) * n;
@@ -178,7 +178,7 @@ void IncoherentInelasticAEDiscrete::sample(
   E_out = (1 - f) * E_ij + f * E_i1j;
 
   // Sample outgoing cosine bin
-  int m = mu_out_.shape()[2];
+  int m = mu_out_.shape(2);
   int k = prn(seed) * m;
 
   // Determine outgoing cosine corresponding to E_in[i] and E_in[i+1]
@@ -218,11 +218,11 @@ IncoherentInelasticAE::IncoherentInelasticAE(hid_t group)
         // On first pass, allocate space for angles
         if (j == 0) {
           auto n_mu = adist->x().size();
-          d.mu = xt::empty<double>({d.n_e_out, n_mu});
+          d.mu = tensor::Tensor<double>({d.n_e_out, n_mu});
         }
 
         // Copy outgoing angles
-        auto mu_j = xt::view(d.mu, j);
+        tensor::View<double> mu_j = d.mu.slice(j);
         std::copy(adist->x().begin(), adist->x().end(), mu_j.begin());
       }
     }
@@ -287,7 +287,7 @@ void IncoherentInelasticAE::sample(
   }
 
   // Sample outgoing cosine bin
-  int n_mu = distribution_[l].mu.shape()[1];
+  int n_mu = distribution_[l].mu.shape(1);
   std::size_t k = prn(seed) * n_mu;
 
   // Rather than use the sampled discrete mu directly, it is smeared over
diff --git a/src/simulation.cpp b/src/simulation.cpp
index 18e40a8bc..d0d6f037f 100644
--- a/src/simulation.cpp
+++ b/src/simulation.cpp
@@ -30,7 +30,7 @@
 #ifdef _OPENMP
 #include <omp.h>
 #endif
-#include "xtensor/xview.hpp"
+#include "openmc/tensor.h"
 
 #ifdef OPENMC_MPI
 #include <mpi.h>
@@ -413,7 +413,7 @@ void finalize_batch()
 
   // Reset global tally results
   if (simulation::current_batch <= settings::n_inactive) {
-    xt::view(simulation::global_tallies, xt::all()) = 0.0;
+    simulation::global_tallies.fill(0.0);
     simulation::n_realizations = 0;
   }
 
diff --git a/src/source.cpp b/src/source.cpp
index 8bd9c7893..5300a685f 100644
--- a/src/source.cpp
+++ b/src/source.cpp
@@ -10,7 +10,7 @@
 #include <dlfcn.h> // for dlopen, dlsym, dlclose, dlerror
 #endif
 
-#include "xtensor/xadapt.hpp"
+#include "openmc/tensor.h"
 #include <fmt/core.h>
 
 #include "openmc/bank.h"
@@ -400,8 +400,9 @@ SourceSite IndependentSource::sample(uint64_t* seed) const
     auto p = particle_.transport_index();
     auto energy_ptr = dynamic_cast<Discrete*>(energy_.get());
     if (energy_ptr) {
-      auto energies = xt::adapt(energy_ptr->x());
-      if (xt::any(energies > data::energy_max[p])) {
+      auto energies =
+        tensor::Tensor<double>(energy_ptr->x().data(), energy_ptr->x().size());
+      if ((energies > data::energy_max[p]).any()) {
         fatal_error("Source energy above range of energies of at least "
                     "one cross section table");
       }
diff --git a/src/state_point.cpp b/src/state_point.cpp
index 455299529..c0d8ab5b2 100644
--- a/src/state_point.cpp
+++ b/src/state_point.cpp
@@ -4,8 +4,7 @@
 #include <cstdint> // for int64_t
 #include <string>
 
-#include "xtensor/xbuilder.hpp" // for empty_like
-#include "xtensor/xview.hpp"
+#include "openmc/tensor.h"
 #include <fmt/core.h>
 
 #include "openmc/bank.h"
@@ -277,8 +276,8 @@ extern "C" int openmc_statepoint_write(const char* filename, bool* write_source)
           std::string name = "tally " + std::to_string(tally->id_);
           hid_t tally_group = open_group(tallies_group, name.c_str());
           auto& results = tally->results_;
-          write_tally_results(tally_group, results.shape()[0],
-            results.shape()[1], results.shape()[2], results.data());
+          write_tally_results(tally_group, results.shape(0), results.shape(1),
+            results.shape(2), results.data());
           close_group(tally_group);
         }
       } else {
@@ -517,8 +516,8 @@ extern "C" int openmc_statepoint_load(const char* filename)
           tally->writable_ = false;
         } else {
           auto& results = tally->results_;
-          read_tally_results(tally_group, results.shape()[0],
-            results.shape()[1], results.shape()[2], results.data());
+          read_tally_results(tally_group, results.shape(0), results.shape(1),
+            results.shape(2), results.data());
 
           read_dataset(tally_group, "n_realizations", tally->n_realizations_);
           close_group(tally_group);
@@ -827,7 +826,7 @@ void write_unstructured_mesh_results()
           // construct result vectors
           vector<double> mean_vec(umesh->n_bins()),
             std_dev_vec(umesh->n_bins());
-          for (int j = 0; j < tally->results_.shape()[0]; j++) {
+          for (int j = 0; j < tally->results_.shape(0); j++) {
             // get the volume for this bin
             double volume = umesh->volume(j);
             // compute the mean
@@ -889,7 +888,7 @@ void write_tally_results_nr(hid_t file_id)
 
 #ifdef OPENMC_MPI
   // Reduce global tallies
-  xt::xtensor<double, 2> gt_reduced = xt::empty_like(gt);
+  tensor::Tensor<double> gt_reduced({N_GLOBAL_TALLIES, 3});
   MPI_Reduce(gt.data(), gt_reduced.data(), gt.size(), MPI_DOUBLE, MPI_SUM, 0,
     mpi::intracomm);
 
@@ -918,13 +917,18 @@ void write_tally_results_nr(hid_t file_id)
       write_attribute(file_id, "tallies_present", 1);
     }
 
-    // Get view of accumulated tally values
-    auto values_view = xt::view(t->results_, xt::all(), xt::all(),
-      xt::range(static_cast<int>(TallyResult::SUM),
-        static_cast<int>(TallyResult::SUM_SQ) + 1));
-
-    // Make copy of tally values in contiguous array
-    xt::xtensor<double, 3> values = values_view;
+    // Copy the SUM and SUM_SQ columns from the tally results into a
+    // contiguous array for MPI reduction
+    const int r_start = static_cast<int>(TallyResult::SUM);
+    const int r_end = static_cast<int>(TallyResult::SUM_SQ) + 1;
+    const size_t r_count = r_end - r_start;
+    const size_t ni = t->results_.shape(0);
+    const size_t nj = t->results_.shape(1);
+    tensor::Tensor<double> values({ni, nj, r_count});
+    for (size_t i = 0; i < ni; i++)
+      for (size_t j = 0; j < nj; j++)
+        for (size_t r = 0; r < r_count; r++)
+          values(i, j, r) = t->results_(i, j, r_start + r);
 
     if (mpi::master) {
       // Open group for tally
@@ -938,19 +942,22 @@ void write_tally_results_nr(hid_t file_id)
         MPI_SUM, 0, mpi::intracomm);
 #endif
 
-      // At the end of the simulation, store the results back in the
-      // regular TallyResults array
+      // At the end of the simulation, store the reduced results back
+      // into the tally results array
       if (simulation::current_batch == settings::n_max_batches ||
           simulation::satisfy_triggers) {
-        values_view = values;
+        for (size_t i = 0; i < ni; i++)
+          for (size_t j = 0; j < nj; j++)
+            for (size_t r = 0; r < r_count; r++)
+              t->results_(i, j, r_start + r) = values(i, j, r);
       }
 
-      // Put in temporary tally result
-      xt::xtensor<double, 3> results_copy = xt::zeros_like(t->results_);
-      auto copy_view = xt::view(results_copy, xt::all(), xt::all(),
-        xt::range(static_cast<int>(TallyResult::SUM),
-          static_cast<int>(TallyResult::SUM_SQ) + 1));
-      copy_view = values;
+      // Put reduced values into a full-sized copy for writing to HDF5
+      tensor::Tensor<double> results_copy = tensor::zeros_like(t->results_);
+      for (size_t i = 0; i < ni; i++)
+        for (size_t j = 0; j < nj; j++)
+          for (size_t r = 0; r < r_count; r++)
+            results_copy(i, j, r_start + r) = values(i, j, r);
 
       // Write reduced tally results to file
       auto shape = results_copy.shape();
diff --git a/src/tallies/filter_cell_instance.cpp b/src/tallies/filter_cell_instance.cpp
index 316a758d1..928bfb6c5 100644
--- a/src/tallies/filter_cell_instance.cpp
+++ b/src/tallies/filter_cell_instance.cpp
@@ -9,6 +9,7 @@
 #include "openmc/cell.h"
 #include "openmc/error.h"
 #include "openmc/geometry.h"
+#include "openmc/tensor.h"
 #include "openmc/xml_interface.h"
 
 namespace openmc {
@@ -108,7 +109,7 @@ void CellInstanceFilter::to_statepoint(hid_t filter_group) const
 {
   Filter::to_statepoint(filter_group);
   size_t n = cell_instances_.size();
-  xt::xtensor<size_t, 2> data({n, 2});
+  tensor::Tensor<size_t> data({n, 2});
   for (int64_t i = 0; i < n; ++i) {
     const auto& x = cell_instances_[i];
     data(i, 0) = model::cells[x.index_cell]->id_;
diff --git a/src/tallies/filter_meshmaterial.cpp b/src/tallies/filter_meshmaterial.cpp
index 6e1f30380..b45bb4164 100644
--- a/src/tallies/filter_meshmaterial.cpp
+++ b/src/tallies/filter_meshmaterial.cpp
@@ -1,5 +1,6 @@
 #include "openmc/tallies/filter_meshmaterial.h"
 
+#include <cassert>
 #include <utility> // for move
 
 #include <fmt/core.h>
@@ -10,6 +11,7 @@
 #include "openmc/error.h"
 #include "openmc/material.h"
 #include "openmc/mesh.h"
+#include "openmc/tensor.h"
 #include "openmc/xml_interface.h"
 
 namespace openmc {
@@ -161,7 +163,7 @@ void MeshMaterialFilter::to_statepoint(hid_t filter_group) const
   write_dataset(filter_group, "mesh", model::meshes[mesh_]->id_);
 
   size_t n = bins_.size();
-  xt::xtensor<size_t, 2> data({n, 2});
+  tensor::Tensor<size_t> data({n, 2});
   for (int64_t i = 0; i < n; ++i) {
     const auto& x = bins_[i];
     data(i, 0) = x.index_element;
diff --git a/src/tallies/tally.cpp b/src/tallies/tally.cpp
index 8cdf3a905..296c3fb50 100644
--- a/src/tallies/tally.cpp
+++ b/src/tallies/tally.cpp
@@ -35,9 +35,7 @@
 #include "openmc/tallies/filter_time.h"
 #include "openmc/xml_interface.h"
 
-#include "xtensor/xadapt.hpp"
-#include "xtensor/xbuilder.hpp" // for empty_like
-#include "xtensor/xview.hpp"
+#include "openmc/tensor.h"
 #include <fmt/core.h>
 
 #include <algorithm> // for max, set_union
@@ -69,7 +67,7 @@ vector<double> time_grid;
 } // namespace model
 
 namespace simulation {
-xt::xtensor_fixed<double, xt::xshape<N_GLOBAL_TALLIES, 3>> global_tallies;
+tensor::StaticTensor2D<double, N_GLOBAL_TALLIES, 3> global_tallies;
 int32_t n_realizations {0};
 } // namespace simulation
 
@@ -806,9 +804,11 @@ void Tally::init_results()
 {
   int n_scores = scores_.size() * nuclides_.size();
   if (higher_moments_) {
-    results_ = xt::empty<double>({n_filter_bins_, n_scores, 5});
+    results_ = tensor::Tensor<double>({static_cast<size_t>(n_filter_bins_),
+      static_cast<size_t>(n_scores), size_t {5}});
   } else {
-    results_ = xt::empty<double>({n_filter_bins_, n_scores, 3});
+    results_ = tensor::Tensor<double>({static_cast<size_t>(n_filter_bins_),
+      static_cast<size_t>(n_scores), size_t {3}});
   }
 }
 
@@ -816,7 +816,7 @@ void Tally::reset()
 {
   n_realizations_ = 0;
   if (results_.size() != 0) {
-    xt::view(results_, xt::all()) = 0.0;
+    results_.fill(0.0);
   }
 }
 
@@ -851,9 +851,9 @@ void Tally::accumulate()
     if (higher_moments_) {
 #pragma omp parallel for
       // filter bins (specific cell, energy bins)
-      for (int i = 0; i < results_.shape()[0]; ++i) {
+      for (int i = 0; i < results_.shape(0); ++i) {
         // score bins (flux, total reaction rate, fission reaction rate, etc.)
-        for (int j = 0; j < results_.shape()[1]; ++j) {
+        for (int j = 0; j < results_.shape(1); ++j) {
           double val = results_(i, j, TallyResult::VALUE) * norm;
           double val2 = val * val;
           results_(i, j, TallyResult::VALUE) = 0.0;
@@ -866,9 +866,9 @@ void Tally::accumulate()
     } else {
 #pragma omp parallel for
       // filter bins (specific cell, energy bins)
-      for (int i = 0; i < results_.shape()[0]; ++i) {
+      for (int i = 0; i < results_.shape(0); ++i) {
         // score bins (flux, total reaction rate, fission reaction rate, etc.)
-        for (int j = 0; j < results_.shape()[1]; ++j) {
+        for (int j = 0; j < results_.shape(1); ++j) {
           double val = results_(i, j, TallyResult::VALUE) * norm;
           results_(i, j, TallyResult::VALUE) = 0.0;
           results_(i, j, TallyResult::SUM) += val;
@@ -888,18 +888,18 @@ int Tally::score_index(const std::string& score) const
   return -1;
 }
 
-xt::xarray<double> Tally::get_reshaped_data() const
+tensor::Tensor<double> Tally::get_reshaped_data() const
 {
-  std::vector<uint64_t> shape;
+  vector<size_t> shape;
   for (auto f : filters()) {
     shape.push_back(model::tally_filters[f]->n_bins());
   }
 
   // add number of scores and nuclides to tally
-  shape.push_back(results_.shape()[1]);
-  shape.push_back(results_.shape()[2]);
+  shape.push_back(results_.shape(1));
+  shape.push_back(results_.shape(2));
 
-  xt::xarray<double> reshaped_results = results_;
+  tensor::Tensor<double> reshaped_results = results_;
   reshaped_results.reshape(shape);
   return reshaped_results;
 }
@@ -1004,13 +1004,14 @@ void reduce_tally_results()
       // Skip any tallies that are not active
       auto& tally {model::tallies[i_tally]};
 
-      // Get view of accumulated tally values
-      auto values_view = xt::view(tally->results_, xt::all(), xt::all(),
-        static_cast<int>(TallyResult::VALUE));
+      // Extract 2D view of the VALUE column from the 3D results tensor,
+      // then copy into a contiguous array for MPI reduction
+      const int val_idx = static_cast<int>(TallyResult::VALUE);
+      tensor::View<double> val_view =
+        tally->results_.slice(tensor::all, tensor::all, val_idx);
+      tensor::Tensor<double> values(val_view);
 
-      // Make copy of tally values in contiguous array
-      xt::xtensor<double, 2> values = values_view;
-      xt::xtensor<double, 2> values_reduced = xt::empty_like(values);
+      tensor::Tensor<double> values_reduced(values.shape());
 
       // Reduce contiguous set of tally results
       MPI_Reduce(values.data(), values_reduced.data(), values.size(),
@@ -1018,9 +1019,9 @@ void reduce_tally_results()
 
       // Transfer values on master and reset on other ranks
       if (mpi::master) {
-        values_view = values_reduced;
+        val_view = values_reduced;
       } else {
-        values_view = 0.0;
+        val_view = 0.0;
       }
     }
   }
@@ -1028,14 +1029,13 @@ void reduce_tally_results()
   // Note that global tallies are *always* reduced even when no_reduce option
   // is on.
 
-  // Get view of global tally values
+  // Get reference to global tallies
   auto& gt = simulation::global_tallies;
-  auto gt_values_view =
-    xt::view(gt, xt::all(), static_cast<int>(TallyResult::VALUE));
+  const int val_col = static_cast<int>(TallyResult::VALUE);
 
-  // Make copy of values in contiguous array
-  xt::xtensor<double, 1> gt_values = gt_values_view;
-  xt::xtensor<double, 1> gt_values_reduced = xt::empty_like(gt_values);
+  // Copy VALUE column into contiguous array for MPI reduction
+  tensor::Tensor<double> gt_values(gt.slice(tensor::all, val_col));
+  tensor::Tensor<double> gt_values_reduced({size_t {N_GLOBAL_TALLIES}});
 
   // Reduce contiguous data
   MPI_Reduce(gt_values.data(), gt_values_reduced.data(), N_GLOBAL_TALLIES,
@@ -1043,9 +1043,9 @@ void reduce_tally_results()
 
   // Transfer values on master and reset on other ranks
   if (mpi::master) {
-    gt_values_view = gt_values_reduced;
+    gt.slice(tensor::all, val_col) = gt_values_reduced;
   } else {
-    gt_values_view = 0.0;
+    gt.slice(tensor::all, val_col) = 0.0;
   }
 
   // We also need to determine the total starting weight of particles from the
diff --git a/src/tallies/tally_scoring.cpp b/src/tallies/tally_scoring.cpp
index ccc70fc8f..fb851f783 100644
--- a/src/tallies/tally_scoring.cpp
+++ b/src/tallies/tally_scoring.cpp
@@ -20,6 +20,7 @@
 #include "openmc/tallies/filter_delayedgroup.h"
 #include "openmc/tallies/filter_energy.h"
 
+#include <numeric>
 #include <string>
 
 namespace openmc {
diff --git a/src/tallies/trigger.cpp b/src/tallies/trigger.cpp
index f1f83e298..6c54edd5e 100644
--- a/src/tallies/trigger.cpp
+++ b/src/tallies/trigger.cpp
@@ -71,7 +71,7 @@ void check_tally_triggers(double& ratio, int& tally_id, int& score)
         continue;
 
       const auto& results = t.results_;
-      for (auto filter_index = 0; filter_index < results.shape()[0];
+      for (auto filter_index = 0; filter_index < results.shape(0);
            ++filter_index) {
         // Compute the tally uncertainty metrics.
         auto uncert_pair =
diff --git a/src/thermal.cpp b/src/thermal.cpp
index cbe0983ed..6ed59f686 100644
--- a/src/thermal.cpp
+++ b/src/thermal.cpp
@@ -3,12 +3,7 @@
 #include <algorithm> // for sort, move, min, max, find
 #include <cmath>     // for round, sqrt, abs
 
-#include "xtensor/xarray.hpp"
-#include "xtensor/xbuilder.hpp"
-#include "xtensor/xmath.hpp"
-#include "xtensor/xsort.hpp"
-#include "xtensor/xtensor.hpp"
-#include "xtensor/xview.hpp"
+#include "openmc/tensor.h"
 #include <fmt/core.h>
 
 #include "openmc/constants.h"
@@ -55,7 +50,7 @@ ThermalScattering::ThermalScattering(
   // Determine temperatures available
   auto dset_names = dataset_names(kT_group);
   auto n = dset_names.size();
-  auto temps_available = xt::empty<double>({n});
+  auto temps_available = tensor::Tensor<double>({n});
   for (int i = 0; i < dset_names.size(); ++i) {
     // Read temperature value
     double T;
@@ -82,7 +77,7 @@ ThermalScattering::ThermalScattering(
     // Determine actual temperatures to read
     for (const auto& T : temperature) {
 
-      auto i_closest = xt::argmin(xt::abs(temps_available - T))[0];
+      auto i_closest = tensor::abs(temps_available - T).argmin();
       auto temp_actual = temps_available[i_closest];
       if (std::abs(temp_actual - T) < settings::temperature_tolerance) {
         if (std::find(temps_to_read.begin(), temps_to_read.end(),
diff --git a/src/track_output.cpp b/src/track_output.cpp
index e86f774f0..02e092236 100644
--- a/src/track_output.cpp
+++ b/src/track_output.cpp
@@ -8,7 +8,7 @@
 #include "openmc/simulation.h"
 #include "openmc/vector.h"
 
-#include "xtensor/xtensor.hpp"
+#include "openmc/tensor.h"
 #include <fmt/core.h>
 #include <hdf5.h>
 
diff --git a/src/urr.cpp b/src/urr.cpp
index 02cef2280..b791eecb0 100644
--- a/src/urr.cpp
+++ b/src/urr.cpp
@@ -25,7 +25,7 @@ UrrData::UrrData(hid_t group_id)
   // Read URR tables. The HDF5 format is a little
   // different from how we want it laid out in memory.
   // This array used to be called "prob_".
-  xt::xtensor<double, 3> tmp_prob;
+  tensor::Tensor<double> tmp_prob;
   read_dataset(group_id, "table", tmp_prob);
   auto shape = tmp_prob.shape();
 
@@ -38,7 +38,7 @@ UrrData::UrrData(hid_t group_id)
   xs_values_.resize({n_energy, n_cdf_values});
 
   // Now fill in the values. Using manual loops here since we might
-  // not have fancy xtensor slicing code written for GPU tensors.
+  // not have fancy tensor slicing code written for GPU tensors.
   // The below enum gives how URR tables are laid out in our HDF5 tables.
   enum class URRTableParam {
     CUM_PROB,
diff --git a/src/volume_calc.cpp b/src/volume_calc.cpp
index 1deffb804..f675ae78a 100644
--- a/src/volume_calc.cpp
+++ b/src/volume_calc.cpp
@@ -17,8 +17,7 @@
 #include "openmc/timer.h"
 #include "openmc/xml_interface.h"
 
-#include "xtensor/xadapt.hpp"
-#include "xtensor/xview.hpp"
+#include "openmc/tensor.h"
 #include <fmt/core.h>
 
 #include <algorithm> // for copy
@@ -242,7 +241,8 @@ vector<VolumeCalculation::Result> VolumeCalculation::execute() const
       // non-zero
       auto n_nuc =
         settings::run_CE ? data::nuclides.size() : data::mg.nuclides_.size();
-      xt::xtensor<double, 2> atoms({n_nuc, 2}, 0.0);
+      auto atoms =
+        tensor::zeros<double>({static_cast<size_t>(n_nuc), size_t {2}});
 
 #ifdef OPENMC_MPI
       if (mpi::master) {
@@ -452,9 +452,11 @@ void VolumeCalculation::to_hdf5(
     }
 
     // Create array of total # of atoms with uncertainty for each nuclide
-    xt::xtensor<double, 2> atom_data({n_nuc, 2});
-    xt::view(atom_data, xt::all(), 0) = xt::adapt(result.atoms);
-    xt::view(atom_data, xt::all(), 1) = xt::adapt(result.uncertainty);
+    tensor::Tensor<double> atom_data({static_cast<size_t>(n_nuc), size_t {2}});
+    for (size_t k = 0; k < static_cast<size_t>(n_nuc); ++k) {
+      atom_data(k, 0) = result.atoms[k];
+      atom_data(k, 1) = result.uncertainty[k];
+    }
 
     // Write results
     write_dataset(group_id, "nuclides", nucnames);
diff --git a/src/weight_windows.cpp b/src/weight_windows.cpp
index 5ca4addbb..c05169132 100644
--- a/src/weight_windows.cpp
+++ b/src/weight_windows.cpp
@@ -6,12 +6,7 @@
 #include <set>
 #include <string>
 
-#include "xtensor/xdynamic_view.hpp"
-#include "xtensor/xindex_view.hpp"
-#include "xtensor/xio.hpp"
-#include "xtensor/xmasked_view.hpp"
-#include "xtensor/xnoalias.hpp"
-#include "xtensor/xview.hpp"
+#include "openmc/tensor.h"
 
 #include "openmc/error.h"
 #include "openmc/file_utils.h"
@@ -265,8 +260,12 @@ WeightWindows* WeightWindows::from_hdf5(
   }
   wws->set_mesh(model::mesh_map[mesh_id]);
 
-  wws->lower_ww_ = xt::empty<double>(wws->bounds_size());
-  wws->upper_ww_ = xt::empty<double>(wws->bounds_size());
+  wws->lower_ww_ =
+    tensor::Tensor<double>({static_cast<size_t>(wws->bounds_size()[0]),
+      static_cast<size_t>(wws->bounds_size()[1])});
+  wws->upper_ww_ =
+    tensor::Tensor<double>({static_cast<size_t>(wws->bounds_size()[0]),
+      static_cast<size_t>(wws->bounds_size()[1])});
 
   read_dataset<double>(ww_group, "lower_ww_bounds", wws->lower_ww_);
   read_dataset<double>(ww_group, "upper_ww_bounds", wws->upper_ww_);
@@ -301,9 +300,11 @@ void WeightWindows::allocate_ww_bounds()
       "Size of weight window bounds is zero for WeightWindows {}", id());
     warning(msg);
   }
-  lower_ww_ = xt::empty<double>(shape);
+  lower_ww_ = tensor::Tensor<double>(
+    {static_cast<size_t>(shape[0]), static_cast<size_t>(shape[1])});
   lower_ww_.fill(-1);
-  upper_ww_ = xt::empty<double>(shape);
+  upper_ww_ = tensor::Tensor<double>(
+    {static_cast<size_t>(shape[0]), static_cast<size_t>(shape[1])});
   upper_ww_.fill(-1);
 }
 
@@ -448,8 +449,8 @@ void WeightWindows::check_bounds(const T& bounds) const
   }
 }
 
-void WeightWindows::set_bounds(const xt::xtensor<double, 2>& lower_bounds,
-  const xt::xtensor<double, 2>& upper_bounds)
+void WeightWindows::set_bounds(const tensor::Tensor<double>& lower_bounds,
+  const tensor::Tensor<double>& upper_bounds)
 {
 
   this->check_bounds(lower_bounds, upper_bounds);
@@ -460,7 +461,7 @@ void WeightWindows::set_bounds(const xt::xtensor<double, 2>& lower_bounds,
 }
 
 void WeightWindows::set_bounds(
-  const xt::xtensor<double, 2>& lower_bounds, double ratio)
+  const tensor::Tensor<double>& lower_bounds, double ratio)
 {
   this->check_bounds(lower_bounds);
 
@@ -475,14 +476,16 @@ void WeightWindows::set_bounds(
 {
   check_bounds(lower_bounds, upper_bounds);
   auto shape = this->bounds_size();
-  lower_ww_ = xt::empty<double>(shape);
-  upper_ww_ = xt::empty<double>(shape);
+  lower_ww_ = tensor::Tensor<double>(
+    {static_cast<size_t>(shape[0]), static_cast<size_t>(shape[1])});
+  upper_ww_ = tensor::Tensor<double>(
+    {static_cast<size_t>(shape[0]), static_cast<size_t>(shape[1])});
 
-  // set new weight window values
-  xt::view(lower_ww_, xt::all()) =
-    xt::adapt(lower_bounds.data(), lower_ww_.shape());
-  xt::view(upper_ww_, xt::all()) =
-    xt::adapt(upper_bounds.data(), upper_ww_.shape());
+  // Copy weight window values from input spans into the tensors
+  std::copy(lower_bounds.data(), lower_bounds.data() + lower_ww_.size(),
+    lower_ww_.data());
+  std::copy(upper_bounds.data(), upper_bounds.data() + upper_ww_.size(),
+    upper_ww_.data());
 }
 
 void WeightWindows::set_bounds(span<const double> lower_bounds, double ratio)
@@ -490,14 +493,16 @@ void WeightWindows::set_bounds(span<const double> lower_bounds, double ratio)
   this->check_bounds(lower_bounds);
 
   auto shape = this->bounds_size();
-  lower_ww_ = xt::empty<double>(shape);
-  upper_ww_ = xt::empty<double>(shape);
+  lower_ww_ = tensor::Tensor<double>(
+    {static_cast<size_t>(shape[0]), static_cast<size_t>(shape[1])});
+  upper_ww_ = tensor::Tensor<double>(
+    {static_cast<size_t>(shape[0]), static_cast<size_t>(shape[1])});
 
-  // set new weight window values
-  xt::view(lower_ww_, xt::all()) =
-    xt::adapt(lower_bounds.data(), lower_ww_.shape());
-  xt::view(upper_ww_, xt::all()) =
-    xt::adapt(lower_bounds.data(), upper_ww_.shape());
+  // Copy lower bounds into both arrays, then scale upper by ratio
+  std::copy(lower_bounds.data(), lower_bounds.data() + lower_ww_.size(),
+    lower_ww_.data());
+  std::copy(lower_bounds.data(), lower_bounds.data() + upper_ww_.size(),
+    upper_ww_.data());
   upper_ww_ *= ratio;
 }
 
@@ -510,8 +515,8 @@ void WeightWindows::update_weights(const Tally* tally, const std::string& value,
   this->check_tally_update_compatibility(tally);
 
   // Dimensions of weight window arrays
-  int e_bins = lower_ww_.shape()[0];
-  int64_t mesh_bins = lower_ww_.shape()[1];
+  int e_bins = lower_ww_.shape(0);
+  int64_t mesh_bins = lower_ww_.shape(1);
 
   // Initialize weight window arrays to -1.0 by default
 #pragma omp parallel for collapse(2) schedule(static)
@@ -542,16 +547,16 @@ void WeightWindows::update_weights(const Tally* tally, const std::string& value,
   ///////////////////////////
   // Extract tally data
   //
-  // At the end of this section, the mean and rel_err array
-  // is a 2D view of tally data (n_e_groups, n_mesh_bins)
+  // At the end of this section, mean and rel_err are
+  // 2D tensors of tally data (n_e_groups, n_mesh_bins)
   //
   ///////////////////////////
 
-  // build a shape for a view of the tally results, this will always be
+  // build a shape for the tally results, this will always be
   // dimension 5 (3 filter dimensions, 1 score dimension, 1 results dimension)
-  // Look for the size of the last dimension of the results array
-  const auto& results_arr = tally->results();
-  const int results_dim = static_cast<int>(results_arr.shape()[2]);
+  // Look for the size of the last dimension of the results tensor
+  const auto& results = tally->results();
+  const int results_dim = static_cast<int>(results.shape(2));
   std::array<int, 5> shape = {1, 1, 1, tally->n_scores(), results_dim};
 
   // set the shape for the filters applied on the tally
@@ -588,25 +593,14 @@ void WeightWindows::update_weights(const Tally* tally, const std::string& value,
     std::find(filter_types.begin(), filter_types.end(), FilterType::MESH) -
     filter_types.begin();
 
-  // get a fully reshaped view of the tally according to tally ordering of
-  // filters
-  auto tally_values = xt::reshape_view(results_arr, shape);
-
-  // get a that is (particle, energy, mesh, scores, values)
-  auto transposed_view = xt::transpose(tally_values, transpose);
-
-  // determine the dimension and index of the particle data
+  // determine the index of the particle within its filter
   int particle_idx = 0;
   if (tally->has_filter(FilterType::PARTICLE)) {
-    // get the particle filter
     auto pf = tally->get_filter<ParticleFilter>();
     const auto& particles = pf->particles();
 
-    // find the index of the particle that matches these weight windows
     auto p_it =
       std::find(particles.begin(), particles.end(), this->particle_type_);
-    // if the particle filter doesn't have particle data for the particle
-    // used on this weight windows instance, report an error
     if (p_it == particles.end()) {
       auto msg = fmt::format("Particle type '{}' not present on Filter {} for "
                              "Tally {} used to update WeightWindows {}",
@@ -614,17 +608,46 @@ void WeightWindows::update_weights(const Tally* tally, const std::string& value,
       fatal_error(msg);
     }
 
-    // use the index of the particle in the filter to down-select data later
     particle_idx = p_it - particles.begin();
   }
 
-  // down-select data based on particle and score
-  auto sum = xt::dynamic_view(
-    transposed_view, {particle_idx, xt::all(), xt::all(), score_index,
-                       static_cast<int>(TallyResult::SUM)});
-  auto sum_sq = xt::dynamic_view(
-    transposed_view, {particle_idx, xt::all(), xt::all(), score_index,
-                       static_cast<int>(TallyResult::SUM_SQ)});
+  // The tally results array is 3D: (n_filter_combos, n_scores, n_result_types).
+  // The first dimension is a row-major flattening of up to 3 filter dimensions
+  // (particle, energy, mesh) whose storage order depends on which filters the
+  // tally has. We need to map our desired indices (particle, energy, mesh)
+  // into the correct flat filter combination index.
+  //
+  // transpose[i] tells us which storage position holds dimension i:
+  //   i=0 -> particle, i=1 -> energy, i=2 -> mesh
+  // shape[j] gives the number of bins for filter storage position j.
+
+  // Row-major strides for the 3 filter dimensions
+  const int stride0 = shape[1] * shape[2];
+  const int stride1 = shape[2];
+
+  tensor::Tensor<double> sum(
+    {static_cast<size_t>(e_bins), static_cast<size_t>(mesh_bins)});
+  tensor::Tensor<double> sum_sq(
+    {static_cast<size_t>(e_bins), static_cast<size_t>(mesh_bins)});
+
+  const int i_sum = static_cast<int>(TallyResult::SUM);
+  const int i_sum_sq = static_cast<int>(TallyResult::SUM_SQ);
+
+  for (int e = 0; e < e_bins; e++) {
+    for (int64_t m = 0; m < mesh_bins; m++) {
+      // Place particle, energy, and mesh indices into their storage positions
+      std::array<int, 3> idx = {0, 0, 0};
+      idx[transpose[0]] = particle_idx;
+      idx[transpose[1]] = e;
+      idx[transpose[2]] = static_cast<int>(m);
+
+      // Compute flat filter combination index (row-major over filter dims)
+      int flat = idx[0] * stride0 + idx[1] * stride1 + idx[2];
+
+      sum(e, m) = results(flat, score_index, i_sum);
+      sum_sq(e, m) = results(flat, score_index, i_sum_sq);
+    }
+  }
   int n = tally->n_realizations_;
 
   //////////////////////////////////////////////
@@ -1155,7 +1178,8 @@ extern "C" int openmc_weight_windows_set_bounds(int32_t index,
     return err;
 
   const auto& wws = variance_reduction::weight_windows[index];
-  wws->set_bounds({lower_bounds, size}, {upper_bounds, size});
+  wws->set_bounds(span<const double>(lower_bounds, size),
+    span<const double>(upper_bounds, size));
   return 0;
 }
 
diff --git a/src/wmp.cpp b/src/wmp.cpp
index e9c4fb5e3..6f72e1ba4 100644
--- a/src/wmp.cpp
+++ b/src/wmp.cpp
@@ -33,22 +33,22 @@ WindowedMultipole::WindowedMultipole(hid_t group)
   // Read the "data" array.  Use its shape to figure out the number of poles
   // and residue types in this data.
   read_dataset(group, "data", data_);
-  int n_residues = data_.shape()[1] - 1;
+  int n_residues = data_.shape(1) - 1;
 
   // Check to see if this data includes fission residues.
   fissionable_ = (n_residues == 3);
 
   // Read the "windows" array and use its shape to figure out the number of
   // windows.
-  xt::xtensor<int, 2> windows;
+  tensor::Tensor<int> windows;
   read_dataset(group, "windows", windows);
-  int n_windows = windows.shape()[0];
+  int n_windows = windows.shape(0);
   windows -= 1; // Adjust to 0-based indices
 
   // Read the "broaden_poly" arrays.
-  xt::xtensor<bool, 1> broaden_poly;
+  tensor::Tensor<bool> broaden_poly;
   read_dataset(group, "broaden_poly", broaden_poly);
-  if (n_windows != broaden_poly.shape()[0]) {
+  if (n_windows != broaden_poly.shape(0)) {
     fatal_error("broaden_poly array shape is not consistent with the windows "
                 "array shape in WMP library for " +
                 name_ + ".");
@@ -56,12 +56,12 @@ WindowedMultipole::WindowedMultipole(hid_t group)
 
   // Read the "curvefit" array.
   read_dataset(group, "curvefit", curvefit_);
-  if (n_windows != curvefit_.shape()[0]) {
+  if (n_windows != curvefit_.shape(0)) {
     fatal_error("curvefit array shape is not consistent with the windows "
                 "array shape in WMP library for " +
                 name_ + ".");
   }
-  fit_order_ = curvefit_.shape()[1] - 1;
+  fit_order_ = curvefit_.shape(1) - 1;
 
   // Check the code is compiling to work with sufficiently high fit order
   if (fit_order_ + 1 > MAX_POLY_COEFFICIENTS) {
diff --git a/src/xsdata.cpp b/src/xsdata.cpp
index 1929f51e6..33d063a7b 100644
--- a/src/xsdata.cpp
+++ b/src/xsdata.cpp
@@ -5,10 +5,7 @@
 #include <cstdlib>
 #include <numeric>
 
-#include "xtensor/xbuilder.hpp"
-#include "xtensor/xindex_view.hpp"
-#include "xtensor/xmath.hpp"
-#include "xtensor/xview.hpp"
+#include "openmc/tensor.h"
 
 #include "openmc/constants.h"
 #include "openmc/error.h"
@@ -37,32 +34,32 @@ XsData::XsData(bool fissionable, AngleDistributionType scatter_format,
   }
   // allocate all [temperature][angle][in group] quantities
   vector<size_t> shape {n_ang, n_g_};
-  total = xt::zeros<double>(shape);
-  absorption = xt::zeros<double>(shape);
-  inverse_velocity = xt::zeros<double>(shape);
+  total = tensor::zeros<double>(shape);
+  absorption = tensor::zeros<double>(shape);
+  inverse_velocity = tensor::zeros<double>(shape);
   if (fissionable) {
-    fission = xt::zeros<double>(shape);
-    nu_fission = xt::zeros<double>(shape);
-    prompt_nu_fission = xt::zeros<double>(shape);
-    kappa_fission = xt::zeros<double>(shape);
+    fission = tensor::zeros<double>(shape);
+    nu_fission = tensor::zeros<double>(shape);
+    prompt_nu_fission = tensor::zeros<double>(shape);
+    kappa_fission = tensor::zeros<double>(shape);
   }
 
   // allocate decay_rate; [temperature][angle][delayed group]
   shape[1] = n_dg_;
-  decay_rate = xt::zeros<double>(shape);
+  decay_rate = tensor::zeros<double>(shape);
 
   if (fissionable) {
     shape = {n_ang, n_dg_, n_g_};
     // allocate delayed_nu_fission; [temperature][angle][delay group][in group]
-    delayed_nu_fission = xt::zeros<double>(shape);
+    delayed_nu_fission = tensor::zeros<double>(shape);
 
     // chi_prompt; [temperature][angle][in group][out group]
     shape = {n_ang, n_g_, n_g_};
-    chi_prompt = xt::zeros<double>(shape);
+    chi_prompt = tensor::zeros<double>(shape);
 
     // chi_delayed; [temperature][angle][delay group][in group][out group]
     shape = {n_ang, n_dg_, n_g_, n_g_};
-    chi_delayed = xt::zeros<double>(shape);
+    chi_delayed = tensor::zeros<double>(shape);
   }
 
   for (int a = 0; a < n_ang; a++) {
@@ -85,28 +82,30 @@ void XsData::from_hdf5(hid_t xsdata_grp, bool fissionable,
 {
   // Reconstruct the dimension information so it doesn't need to be passed
   size_t n_ang = n_pol * n_azi;
-  size_t energy_groups = total.shape()[1];
+  size_t energy_groups = total.shape(1);
 
   // Set the fissionable-specific data
   if (fissionable) {
     fission_from_hdf5(xsdata_grp, n_ang, is_isotropic);
   }
   // Get the non-fission-specific data
-  read_nd_vector(xsdata_grp, "decay-rate", decay_rate);
-  read_nd_vector(xsdata_grp, "absorption", absorption, true);
-  read_nd_vector(xsdata_grp, "inverse-velocity", inverse_velocity);
+  read_nd_tensor(xsdata_grp, "decay-rate", decay_rate);
+  read_nd_tensor(xsdata_grp, "absorption", absorption, true);
+  read_nd_tensor(xsdata_grp, "inverse-velocity", inverse_velocity);
 
   // Get scattering data
   scatter_from_hdf5(
     xsdata_grp, n_ang, scatter_format, final_scatter_format, order_data);
 
-  // Check absorption to ensure it is not 0 since it is often the
-  // denominator in tally methods
-  xt::filtration(absorption, xt::equal(absorption, 0.)) = 1.e-10;
+  // Replace zero absorption values with a small number to avoid
+  // division by zero in tally methods
+  for (size_t i = 0; i < absorption.size(); i++)
+    if (absorption.data()[i] == 0.0)
+      absorption.data()[i] = 1.e-10;
 
   // Get or calculate the total x/s
   if (object_exists(xsdata_grp, "total")) {
-    read_nd_vector(xsdata_grp, "total", total);
+    read_nd_tensor(xsdata_grp, "total", total);
   } else {
     for (size_t a = 0; a < n_ang; a++) {
       for (size_t gin = 0; gin < energy_groups; gin++) {
@@ -115,8 +114,11 @@ void XsData::from_hdf5(hid_t xsdata_grp, bool fissionable,
     }
   }
 
-  // Fix if total is 0, since it is in the denominator when tallying
-  xt::filtration(total, xt::equal(total, 0.)) = 1.e-10;
+  // Replace zero total cross sections with a small number to avoid
+  // division by zero in tally methods
+  for (size_t i = 0; i < total.size(); i++)
+    if (total.data()[i] == 0.0)
+      total.data()[i] = 1.e-10;
 }
 
 //==============================================================================
@@ -127,21 +129,30 @@ void XsData::fission_vector_beta_from_hdf5(
   // Data is provided as nu-fission and chi with a beta for delayed info
 
   // Get chi
-  xt::xtensor<double, 2> temp_chi({n_ang, n_g_}, 0.);
-  read_nd_vector(xsdata_grp, "chi", temp_chi, true);
+  tensor::Tensor<double> temp_chi = tensor::zeros<double>({n_ang, n_g_});
+  read_nd_tensor(xsdata_grp, "chi", temp_chi, true);
 
-  // Normalize chi by summing over the outgoing groups for each incoming angle
-  temp_chi /= xt::view(xt::sum(temp_chi, {1}), xt::all(), xt::newaxis());
+  // Normalize chi so it sums to 1 over outgoing groups for each angle
+  for (size_t a = 0; a < n_ang; a++) {
+    tensor::View<double> row = temp_chi.slice(a);
+    row /= row.sum();
+  }
 
-  // Now every incoming group in prompt_chi and delayed_chi is the normalized
-  // chi we just made
-  chi_prompt = xt::view(temp_chi, xt::all(), xt::newaxis(), xt::all());
-  chi_delayed =
-    xt::view(temp_chi, xt::all(), xt::newaxis(), xt::newaxis(), xt::all());
+  // Replicate the energy spectrum across all incoming groups — the
+  // spectrum is independent of the incoming neutron energy
+  for (size_t a = 0; a < n_ang; a++)
+    for (size_t gin = 0; gin < n_g_; gin++)
+      chi_prompt.slice(a, gin) = temp_chi.slice(a);
+
+  // Same spectrum for delayed neutrons, replicated across delayed groups
+  for (size_t a = 0; a < n_ang; a++)
+    for (size_t d = 0; d < n_dg_; d++)
+      for (size_t gin = 0; gin < n_g_; gin++)
+        chi_delayed.slice(a, d, gin) = temp_chi.slice(a);
 
   // Get nu-fission
-  xt::xtensor<double, 2> temp_nufiss({n_ang, n_g_}, 0.);
-  read_nd_vector(xsdata_grp, "nu-fission", temp_nufiss, true);
+  tensor::Tensor<double> temp_nufiss = tensor::zeros<double>({n_ang, n_g_});
+  read_nd_tensor(xsdata_grp, "nu-fission", temp_nufiss, true);
 
   // Get beta (strategy will depend upon the number of dimensions in beta)
   hid_t beta_dset = open_dataset(xsdata_grp, "beta");
@@ -151,26 +162,39 @@ void XsData::fission_vector_beta_from_hdf5(
   if (!is_isotropic)
     ndim_target += 2;
   if (beta_ndims == ndim_target) {
-    xt::xtensor<double, 2> temp_beta({n_ang, n_dg_}, 0.);
-    read_nd_vector(xsdata_grp, "beta", temp_beta, true);
+    tensor::Tensor<double> temp_beta = tensor::zeros<double>({n_ang, n_dg_});
+    read_nd_tensor(xsdata_grp, "beta", temp_beta, true);
 
-    // Set prompt_nu_fission = (1. - beta_total)*nu_fission
-    prompt_nu_fission = temp_nufiss * (1. - xt::sum(temp_beta, {1}));
+    // prompt_nu_fission = (1 - sum_of_beta) * nu_fission
+    auto beta_sum = temp_beta.sum(1);
+    for (size_t a = 0; a < n_ang; a++)
+      for (size_t g = 0; g < n_g_; g++)
+        prompt_nu_fission(a, g) = temp_nufiss(a, g) * (1.0 - beta_sum(a));
 
-    // Set delayed_nu_fission as beta * nu_fission
-    delayed_nu_fission =
-      xt::view(temp_beta, xt::all(), xt::all(), xt::newaxis()) *
-      xt::view(temp_nufiss, xt::all(), xt::newaxis(), xt::all());
+    // Delayed nu-fission is the outer product of the delayed neutron
+    // fraction (beta) and the fission production rate (nu-fission)
+    for (size_t a = 0; a < n_ang; a++)
+      for (size_t d = 0; d < n_dg_; d++)
+        for (size_t g = 0; g < n_g_; g++)
+          delayed_nu_fission(a, d, g) = temp_beta(a, d) * temp_nufiss(a, g);
   } else if (beta_ndims == ndim_target + 1) {
-    xt::xtensor<double, 3> temp_beta({n_ang, n_dg_, n_g_}, 0.);
-    read_nd_vector(xsdata_grp, "beta", temp_beta, true);
+    tensor::Tensor<double> temp_beta =
+      tensor::zeros<double>({n_ang, n_dg_, n_g_});
+    read_nd_tensor(xsdata_grp, "beta", temp_beta, true);
 
-    // Set prompt_nu_fission = (1. - beta_total)*nu_fission
-    prompt_nu_fission = temp_nufiss * (1. - xt::sum(temp_beta, {1}));
+    // prompt_nu_fission = (1 - sum_of_beta) * nu_fission
+    // Here beta is energy-dependent, so sum over delayed groups (axis 1)
+    auto beta_sum = temp_beta.sum(1);
+    for (size_t a = 0; a < n_ang; a++)
+      for (size_t g = 0; g < n_g_; g++)
+        prompt_nu_fission(a, g) = temp_nufiss(a, g) * (1.0 - beta_sum(a, g));
 
-    // Set delayed_nu_fission as beta * nu_fission
-    delayed_nu_fission =
-      temp_beta * xt::view(temp_nufiss, xt::all(), xt::newaxis(), xt::all());
+    // Delayed nu-fission: beta is already energy-dependent [n_ang, n_dg, n_g],
+    // so scale each delayed group's beta by the total nu-fission for that group
+    for (size_t a = 0; a < n_ang; a++)
+      for (size_t d = 0; d < n_dg_; d++)
+        for (size_t g = 0; g < n_g_; g++)
+          delayed_nu_fission(a, d, g) = temp_beta(a, d, g) * temp_nufiss(a, g);
   }
 }
 
@@ -179,29 +203,42 @@ void XsData::fission_vector_no_beta_from_hdf5(hid_t xsdata_grp, size_t n_ang)
   // Data is provided separately as prompt + delayed nu-fission and chi
 
   // Get chi-prompt
-  xt::xtensor<double, 2> temp_chi_p({n_ang, n_g_}, 0.);
-  read_nd_vector(xsdata_grp, "chi-prompt", temp_chi_p, true);
+  tensor::Tensor<double> temp_chi_p = tensor::zeros<double>({n_ang, n_g_});
+  read_nd_tensor(xsdata_grp, "chi-prompt", temp_chi_p, true);
 
-  // Normalize chi by summing over the outgoing groups for each incoming angle
-  temp_chi_p /= xt::view(xt::sum(temp_chi_p, {1}), xt::all(), xt::newaxis());
+  // Normalize prompt chi so it sums to 1 over outgoing groups for each angle
+  for (size_t a = 0; a < n_ang; a++) {
+    tensor::View<double> row = temp_chi_p.slice(a);
+    row /= row.sum();
+  }
 
   // Get chi-delayed
-  xt::xtensor<double, 3> temp_chi_d({n_ang, n_dg_, n_g_}, 0.);
-  read_nd_vector(xsdata_grp, "chi-delayed", temp_chi_d, true);
+  tensor::Tensor<double> temp_chi_d =
+    tensor::zeros<double>({n_ang, n_dg_, n_g_});
+  read_nd_tensor(xsdata_grp, "chi-delayed", temp_chi_d, true);
 
-  // Normalize chi by summing over the outgoing groups for each incoming angle
-  temp_chi_d /=
-    xt::view(xt::sum(temp_chi_d, {2}), xt::all(), xt::all(), xt::newaxis());
+  // Normalize delayed chi so it sums to 1 over outgoing groups for each
+  // angle and delayed group
+  for (size_t a = 0; a < n_ang; a++)
+    for (size_t d = 0; d < n_dg_; d++) {
+      tensor::View<double> row = temp_chi_d.slice(a, d);
+      row /= row.sum();
+    }
 
-  // Now assign the prompt and delayed chis by replicating for each incoming
-  // group
-  chi_prompt = xt::view(temp_chi_p, xt::all(), xt::newaxis(), xt::all());
-  chi_delayed =
-    xt::view(temp_chi_d, xt::all(), xt::all(), xt::newaxis(), xt::all());
+  // Replicate the prompt spectrum across all incoming groups
+  for (size_t a = 0; a < n_ang; a++)
+    for (size_t gin = 0; gin < n_g_; gin++)
+      chi_prompt.slice(a, gin) = temp_chi_p.slice(a);
+
+  // Replicate the delayed spectrum across all incoming groups
+  for (size_t a = 0; a < n_ang; a++)
+    for (size_t d = 0; d < n_dg_; d++)
+      for (size_t gin = 0; gin < n_g_; gin++)
+        chi_delayed.slice(a, d, gin) = temp_chi_d.slice(a, d);
 
   // Get prompt and delayed nu-fission directly
-  read_nd_vector(xsdata_grp, "prompt-nu-fission", prompt_nu_fission, true);
-  read_nd_vector(xsdata_grp, "delayed-nu-fission", delayed_nu_fission, true);
+  read_nd_tensor(xsdata_grp, "prompt-nu-fission", prompt_nu_fission, true);
+  read_nd_tensor(xsdata_grp, "delayed-nu-fission", delayed_nu_fission, true);
 }
 
 void XsData::fission_vector_no_delayed_from_hdf5(hid_t xsdata_grp, size_t n_ang)
@@ -210,17 +247,22 @@ void XsData::fission_vector_no_delayed_from_hdf5(hid_t xsdata_grp, size_t n_ang)
   // Therefore, the code only considers the data as prompt.
 
   // Get chi
-  xt::xtensor<double, 2> temp_chi({n_ang, n_g_}, 0.);
-  read_nd_vector(xsdata_grp, "chi", temp_chi, true);
+  tensor::Tensor<double> temp_chi = tensor::zeros<double>({n_ang, n_g_});
+  read_nd_tensor(xsdata_grp, "chi", temp_chi, true);
 
-  // Normalize chi by summing over the outgoing groups for each incoming angle
-  temp_chi /= xt::view(xt::sum(temp_chi, {1}), xt::all(), xt::newaxis());
+  // Normalize chi so it sums to 1 over outgoing groups for each angle
+  for (size_t a = 0; a < n_ang; a++) {
+    tensor::View<double> row = temp_chi.slice(a);
+    row /= row.sum();
+  }
 
-  // Now every incoming group in self.chi is the normalized chi we just made
-  chi_prompt = xt::view(temp_chi, xt::all(), xt::newaxis(), xt::all());
+  // Replicate the energy spectrum across all incoming groups
+  for (size_t a = 0; a < n_ang; a++)
+    for (size_t gin = 0; gin < n_g_; gin++)
+      chi_prompt.slice(a, gin) = temp_chi.slice(a);
 
   // Get nu-fission directly
-  read_nd_vector(xsdata_grp, "nu-fission", prompt_nu_fission, true);
+  read_nd_tensor(xsdata_grp, "nu-fission", prompt_nu_fission, true);
 }
 
 //==============================================================================
@@ -231,8 +273,9 @@ void XsData::fission_matrix_beta_from_hdf5(
   // Data is provided as nu-fission and chi with a beta for delayed info
 
   // Get nu-fission matrix
-  xt::xtensor<double, 3> temp_matrix({n_ang, n_g_, n_g_}, 0.);
-  read_nd_vector(xsdata_grp, "nu-fission", temp_matrix, true);
+  tensor::Tensor<double> temp_matrix =
+    tensor::zeros<double>({n_ang, n_g_, n_g_});
+  read_nd_tensor(xsdata_grp, "nu-fission", temp_matrix, true);
 
   // Get beta (strategy will depend upon the number of dimensions in beta)
   hid_t beta_dset = open_dataset(xsdata_grp, "beta");
@@ -242,65 +285,92 @@ void XsData::fission_matrix_beta_from_hdf5(
   if (!is_isotropic)
     ndim_target += 2;
   if (beta_ndims == ndim_target) {
-    xt::xtensor<double, 2> temp_beta({n_ang, n_dg_}, 0.);
-    read_nd_vector(xsdata_grp, "beta", temp_beta, true);
+    tensor::Tensor<double> temp_beta = tensor::zeros<double>({n_ang, n_dg_});
+    read_nd_tensor(xsdata_grp, "beta", temp_beta, true);
 
-    xt::xtensor<double, 1> temp_beta_sum({n_ang}, 0.);
-    temp_beta_sum = xt::sum(temp_beta, {1});
+    auto beta_sum = temp_beta.sum(1);
+    auto matrix_gout_sum = temp_matrix.sum(2);
 
-    // prompt_nu_fission is the sum of this matrix over outgoing groups and
-    // multiplied by (1 - beta_sum)
-    prompt_nu_fission = xt::sum(temp_matrix, {2}) * (1. - temp_beta_sum);
+    // prompt_nu_fission = sum_gout(matrix) * (1 - beta_total)
+    for (size_t a = 0; a < n_ang; a++)
+      for (size_t g = 0; g < n_g_; g++)
+        prompt_nu_fission(a, g) = matrix_gout_sum(a, g) * (1.0 - beta_sum(a));
 
-    // Store chi-prompt
-    chi_prompt =
-      xt::view(1.0 - temp_beta_sum, xt::all(), xt::newaxis(), xt::newaxis()) *
-      temp_matrix;
+    // chi_prompt = (1 - beta_total) * nu-fission matrix (unnormalized)
+    for (size_t a = 0; a < n_ang; a++)
+      for (size_t gin = 0; gin < n_g_; gin++)
+        for (size_t gout = 0; gout < n_g_; gout++)
+          chi_prompt(a, gin, gout) =
+            (1.0 - beta_sum(a)) * temp_matrix(a, gin, gout);
 
-    // delayed_nu_fission is the sum of this matrix over outgoing groups and
-    // multiplied by beta
-    delayed_nu_fission =
-      xt::view(temp_beta, xt::all(), xt::all(), xt::newaxis()) *
-      xt::view(xt::sum(temp_matrix, {2}), xt::all(), xt::newaxis(), xt::all());
+    // Delayed nu-fission is the outer product of the delayed neutron
+    // fraction (beta) and the total fission rate summed over outgoing groups
+    for (size_t a = 0; a < n_ang; a++)
+      for (size_t d = 0; d < n_dg_; d++)
+        for (size_t g = 0; g < n_g_; g++)
+          delayed_nu_fission(a, d, g) = temp_beta(a, d) * matrix_gout_sum(a, g);
 
-    // Store chi-delayed
-    chi_delayed =
-      xt::view(temp_beta, xt::all(), xt::all(), xt::newaxis(), xt::newaxis()) *
-      xt::view(temp_matrix, xt::all(), xt::newaxis(), xt::all(), xt::all());
+    // chi_delayed = beta * nu-fission matrix, expanded across delayed groups
+    for (size_t a = 0; a < n_ang; a++)
+      for (size_t d = 0; d < n_dg_; d++)
+        for (size_t gin = 0; gin < n_g_; gin++)
+          for (size_t gout = 0; gout < n_g_; gout++)
+            chi_delayed(a, d, gin, gout) =
+              temp_beta(a, d) * temp_matrix(a, gin, gout);
 
   } else if (beta_ndims == ndim_target + 1) {
-    xt::xtensor<double, 3> temp_beta({n_ang, n_dg_, n_g_}, 0.);
-    read_nd_vector(xsdata_grp, "beta", temp_beta, true);
+    tensor::Tensor<double> temp_beta =
+      tensor::zeros<double>({n_ang, n_dg_, n_g_});
+    read_nd_tensor(xsdata_grp, "beta", temp_beta, true);
 
-    xt::xtensor<double, 2> temp_beta_sum({n_ang, n_g_}, 0.);
-    temp_beta_sum = xt::sum(temp_beta, {1});
+    auto beta_sum = temp_beta.sum(1);
+    auto matrix_gout_sum = temp_matrix.sum(2);
 
-    // prompt_nu_fission is the sum of this matrix over outgoing groups and
-    // multiplied by (1 - beta_sum)
-    prompt_nu_fission = xt::sum(temp_matrix, {2}) * (1. - temp_beta_sum);
+    // prompt_nu_fission = sum_gout(matrix) * (1 - beta_total)
+    // Here beta is energy-dependent, so beta_sum is 2D [n_ang, n_g]
+    for (size_t a = 0; a < n_ang; a++)
+      for (size_t g = 0; g < n_g_; g++)
+        prompt_nu_fission(a, g) =
+          matrix_gout_sum(a, g) * (1.0 - beta_sum(a, g));
 
-    // Store chi-prompt
-    chi_prompt =
-      xt::view(1.0 - temp_beta_sum, xt::all(), xt::all(), xt::newaxis()) *
-      temp_matrix;
+    // chi_prompt = (1 - beta_sum) * nu-fission matrix (unnormalized)
+    for (size_t a = 0; a < n_ang; a++)
+      for (size_t gin = 0; gin < n_g_; gin++)
+        for (size_t gout = 0; gout < n_g_; gout++)
+          chi_prompt(a, gin, gout) =
+            (1.0 - beta_sum(a, gin)) * temp_matrix(a, gin, gout);
 
-    // delayed_nu_fission is the sum of this matrix over outgoing groups and
-    // multiplied by beta
-    delayed_nu_fission = temp_beta * xt::view(xt::sum(temp_matrix, {2}),
-                                       xt::all(), xt::newaxis(), xt::all());
+    // Delayed nu-fission: beta is energy-dependent [n_ang, n_dg, n_g],
+    // scale by total fission rate summed over outgoing groups
+    for (size_t a = 0; a < n_ang; a++)
+      for (size_t d = 0; d < n_dg_; d++)
+        for (size_t g = 0; g < n_g_; g++)
+          delayed_nu_fission(a, d, g) =
+            temp_beta(a, d, g) * matrix_gout_sum(a, g);
 
-    // Store chi-delayed
-    chi_delayed =
-      xt::view(temp_beta, xt::all(), xt::all(), xt::all(), xt::newaxis()) *
-      xt::view(temp_matrix, xt::all(), xt::newaxis(), xt::all(), xt::all());
+    // chi_delayed = beta * nu-fission matrix, expanded across delayed groups
+    for (size_t a = 0; a < n_ang; a++)
+      for (size_t d = 0; d < n_dg_; d++)
+        for (size_t gin = 0; gin < n_g_; gin++)
+          for (size_t gout = 0; gout < n_g_; gout++)
+            chi_delayed(a, d, gin, gout) =
+              temp_beta(a, d, gin) * temp_matrix(a, gin, gout);
   }
 
-  // Normalize both chis
-  chi_prompt /=
-    xt::view(xt::sum(chi_prompt, {2}), xt::all(), xt::all(), xt::newaxis());
+  // Normalize chi_prompt so it sums to 1 over outgoing groups
+  for (size_t a = 0; a < n_ang; a++)
+    for (size_t gin = 0; gin < n_g_; gin++) {
+      tensor::View<double> row = chi_prompt.slice(a, gin);
+      row /= row.sum();
+    }
 
-  chi_delayed /= xt::view(
-    xt::sum(chi_delayed, {3}), xt::all(), xt::all(), xt::all(), xt::newaxis());
+  // Normalize chi_delayed so it sums to 1 over outgoing groups
+  for (size_t a = 0; a < n_ang; a++)
+    for (size_t d = 0; d < n_dg_; d++)
+      for (size_t gin = 0; gin < n_g_; gin++) {
+        tensor::View<double> row = chi_delayed.slice(a, d, gin);
+        row /= row.sum();
+      }
 }
 
 void XsData::fission_matrix_no_beta_from_hdf5(hid_t xsdata_grp, size_t n_ang)
@@ -308,28 +378,36 @@ void XsData::fission_matrix_no_beta_from_hdf5(hid_t xsdata_grp, size_t n_ang)
   // Data is provided separately as prompt + delayed nu-fission and chi
 
   // Get the prompt nu-fission matrix
-  xt::xtensor<double, 3> temp_matrix_p({n_ang, n_g_, n_g_}, 0.);
-  read_nd_vector(xsdata_grp, "prompt-nu-fission", temp_matrix_p, true);
+  tensor::Tensor<double> temp_matrix_p =
+    tensor::zeros<double>({n_ang, n_g_, n_g_});
+  read_nd_tensor(xsdata_grp, "prompt-nu-fission", temp_matrix_p, true);
 
   // prompt_nu_fission is the sum over outgoing groups
-  prompt_nu_fission = xt::sum(temp_matrix_p, {2});
+  prompt_nu_fission = temp_matrix_p.sum(2);
 
-  // chi_prompt is this matrix but normalized over outgoing groups, which we
-  // have already stored in prompt_nu_fission
-  chi_prompt = temp_matrix_p /
-               xt::view(prompt_nu_fission, xt::all(), xt::all(), xt::newaxis());
+  // chi_prompt is the nu-fission matrix normalized over outgoing groups
+  for (size_t a = 0; a < n_ang; a++)
+    for (size_t gin = 0; gin < n_g_; gin++)
+      for (size_t gout = 0; gout < n_g_; gout++)
+        chi_prompt(a, gin, gout) =
+          temp_matrix_p(a, gin, gout) / prompt_nu_fission(a, gin);
 
   // Get the delayed nu-fission matrix
-  xt::xtensor<double, 4> temp_matrix_d({n_ang, n_dg_, n_g_, n_g_}, 0.);
-  read_nd_vector(xsdata_grp, "delayed-nu-fission", temp_matrix_d, true);
+  tensor::Tensor<double> temp_matrix_d =
+    tensor::zeros<double>({n_ang, n_dg_, n_g_, n_g_});
+  read_nd_tensor(xsdata_grp, "delayed-nu-fission", temp_matrix_d, true);
 
   // delayed_nu_fission is the sum over outgoing groups
-  delayed_nu_fission = xt::sum(temp_matrix_d, {3});
+  delayed_nu_fission = temp_matrix_d.sum(3);
 
-  // chi_prompt is this matrix but normalized over outgoing groups, which we
-  // have already stored in prompt_nu_fission
-  chi_delayed = temp_matrix_d / xt::view(delayed_nu_fission, xt::all(),
-                                  xt::all(), xt::all(), xt::newaxis());
+  // chi_delayed is the delayed nu-fission matrix normalized over outgoing
+  // groups
+  for (size_t a = 0; a < n_ang; a++)
+    for (size_t d = 0; d < n_dg_; d++)
+      for (size_t gin = 0; gin < n_g_; gin++)
+        for (size_t gout = 0; gout < n_g_; gout++)
+          chi_delayed(a, d, gin, gout) =
+            temp_matrix_d(a, d, gin, gout) / delayed_nu_fission(a, d, gin);
 }
 
 void XsData::fission_matrix_no_delayed_from_hdf5(hid_t xsdata_grp, size_t n_ang)
@@ -338,16 +416,19 @@ void XsData::fission_matrix_no_delayed_from_hdf5(hid_t xsdata_grp, size_t n_ang)
   // Therefore, the code only considers the data as prompt.
 
   // Get nu-fission matrix
-  xt::xtensor<double, 3> temp_matrix({n_ang, n_g_, n_g_}, 0.);
-  read_nd_vector(xsdata_grp, "nu-fission", temp_matrix, true);
+  tensor::Tensor<double> temp_matrix =
+    tensor::zeros<double>({n_ang, n_g_, n_g_});
+  read_nd_tensor(xsdata_grp, "nu-fission", temp_matrix, true);
 
   // prompt_nu_fission is the sum over outgoing groups
-  prompt_nu_fission = xt::sum(temp_matrix, {2});
+  prompt_nu_fission = temp_matrix.sum(2);
 
-  // chi_prompt is this matrix but normalized over outgoing groups, which we
-  // have already stored in prompt_nu_fission
-  chi_prompt = temp_matrix /
-               xt::view(prompt_nu_fission, xt::all(), xt::all(), xt::newaxis());
+  // chi_prompt is the nu-fission matrix normalized over outgoing groups
+  for (size_t a = 0; a < n_ang; a++)
+    for (size_t gin = 0; gin < n_g_; gin++)
+      for (size_t gout = 0; gout < n_g_; gout++)
+        chi_prompt(a, gin, gout) =
+          temp_matrix(a, gin, gout) / prompt_nu_fission(a, gin);
 }
 
 //==============================================================================
@@ -356,8 +437,8 @@ void XsData::fission_from_hdf5(
   hid_t xsdata_grp, size_t n_ang, bool is_isotropic)
 {
   // Get the fission and kappa_fission data xs; these are optional
-  read_nd_vector(xsdata_grp, "fission", fission);
-  read_nd_vector(xsdata_grp, "kappa-fission", kappa_fission);
+  read_nd_tensor(xsdata_grp, "fission", fission);
+  read_nd_tensor(xsdata_grp, "kappa-fission", kappa_fission);
 
   // Get the data; the strategy for doing so depends on if the data is provided
   // as a nu-fission matrix or a set of chi and nu-fission vectors
@@ -388,7 +469,7 @@ void XsData::fission_from_hdf5(
   if (n_dg_ == 0) {
     nu_fission = prompt_nu_fission;
   } else {
-    nu_fission = prompt_nu_fission + xt::sum(delayed_nu_fission, {1});
+    nu_fission = prompt_nu_fission + delayed_nu_fission.sum(1);
   }
 }
 
@@ -404,10 +485,10 @@ void XsData::scatter_from_hdf5(hid_t xsdata_grp, size_t n_ang,
   hid_t scatt_grp = open_group(xsdata_grp, "scatter_data");
 
   // Get the outgoing group boundary indices
-  xt::xtensor<int, 2> gmin({n_ang, n_g_}, 0.);
-  read_nd_vector(scatt_grp, "g_min", gmin, true);
-  xt::xtensor<int, 2> gmax({n_ang, n_g_}, 0.);
-  read_nd_vector(scatt_grp, "g_max", gmax, true);
+  tensor::Tensor<int> gmin = tensor::zeros<int>({n_ang, n_g_});
+  read_nd_tensor(scatt_grp, "g_min", gmin, true);
+  tensor::Tensor<int> gmax = tensor::zeros<int>({n_ang, n_g_});
+  read_nd_tensor(scatt_grp, "g_max", gmax, true);
 
   // Make gmin and gmax start from 0 vice 1 as they do in the library
   gmin -= 1;
@@ -415,11 +496,11 @@ void XsData::scatter_from_hdf5(hid_t xsdata_grp, size_t n_ang,
 
   // Now use this info to find the length of a vector to hold the flattened
   // data.
-  size_t length = order_data * xt::sum(gmax - gmin + 1)();
+  size_t length = order_data * (gmax - gmin + 1).sum();
 
   double_4dvec input_scatt(n_ang, double_3dvec(n_g_));
-  xt::xtensor<double, 1> temp_arr({length}, 0.);
-  read_nd_vector(scatt_grp, "scatter_matrix", temp_arr, true);
+  tensor::Tensor<double> temp_arr = tensor::zeros<double>({length});
+  read_nd_tensor(scatt_grp, "scatter_matrix", temp_arr, true);
 
   // Compare the number of orders given with the max order of the problem;
   // strip off the superfluous orders if needed
@@ -451,7 +532,7 @@ void XsData::scatter_from_hdf5(hid_t xsdata_grp, size_t n_ang,
   double_3dvec temp_mult(n_ang, double_2dvec(n_g_));
   if (object_exists(scatt_grp, "multiplicity_matrix")) {
     temp_arr.resize({length / order_data});
-    read_nd_vector(scatt_grp, "multiplicity_matrix", temp_arr);
+    read_nd_tensor(scatt_grp, "multiplicity_matrix", temp_arr);
 
     // convert the flat temp_arr to a jagged array for passing to scatt data
     size_t temp_idx = 0;
@@ -481,8 +562,8 @@ void XsData::scatter_from_hdf5(hid_t xsdata_grp, size_t n_ang,
       final_scatter_format == AngleDistributionType::TABULAR) {
     for (size_t a = 0; a < n_ang; a++) {
       ScattDataLegendre legendre_scatt;
-      xt::xtensor<int, 1> in_gmin = xt::view(gmin, a, xt::all());
-      xt::xtensor<int, 1> in_gmax = xt::view(gmax, a, xt::all());
+      tensor::Tensor<int> in_gmin(gmin.slice(a));
+      tensor::Tensor<int> in_gmax(gmax.slice(a));
 
       legendre_scatt.init(in_gmin, in_gmax, temp_mult[a], input_scatt[a]);
 
@@ -496,8 +577,8 @@ void XsData::scatter_from_hdf5(hid_t xsdata_grp, size_t n_ang,
     // We are sticking with the current representation
     // Initialize the ScattData object with this data
     for (size_t a = 0; a < n_ang; a++) {
-      xt::xtensor<int, 1> in_gmin = xt::view(gmin, a, xt::all());
-      xt::xtensor<int, 1> in_gmax = xt::view(gmax, a, xt::all());
+      tensor::Tensor<int> in_gmin(gmin.slice(a));
+      tensor::Tensor<int> in_gmax(gmax.slice(a));
       scatter[a]->init(in_gmin, in_gmax, temp_mult[a], input_scatt[a]);
     }
   }
@@ -519,33 +600,67 @@ void XsData::combine(
     if (i == 0) {
       inverse_velocity = that->inverse_velocity;
     }
-    if (that->prompt_nu_fission.shape()[0] > 0) {
+    if (!that->prompt_nu_fission.empty()) {
       nu_fission += scalar * that->nu_fission;
       prompt_nu_fission += scalar * that->prompt_nu_fission;
       kappa_fission += scalar * that->kappa_fission;
       fission += scalar * that->fission;
       delayed_nu_fission += scalar * that->delayed_nu_fission;
-      chi_prompt += scalar *
-                    xt::view(xt::sum(that->prompt_nu_fission, {1}), xt::all(),
-                      xt::newaxis(), xt::newaxis()) *
-                    that->chi_prompt;
-      chi_delayed += scalar *
-                     xt::view(xt::sum(that->delayed_nu_fission, {2}), xt::all(),
-                       xt::all(), xt::newaxis(), xt::newaxis()) *
-                     that->chi_delayed;
+      // Accumulate chi_prompt weighted by total prompt nu-fission
+      // (summed over energy groups) for this constituent
+      {
+        auto pnf_sum = that->prompt_nu_fission.sum(1);
+        size_t n_ang = chi_prompt.shape(0);
+        size_t n_g = chi_prompt.shape(1);
+        for (size_t a = 0; a < n_ang; a++)
+          for (size_t gin = 0; gin < n_g; gin++)
+            for (size_t gout = 0; gout < n_g; gout++)
+              chi_prompt(a, gin, gout) +=
+                scalar * pnf_sum(a) * that->chi_prompt(a, gin, gout);
+      }
+      // Accumulate chi_delayed weighted by total delayed nu-fission
+      // (summed over energy groups) for this constituent
+      {
+        auto dnf_sum = that->delayed_nu_fission.sum(2);
+        size_t n_ang = chi_delayed.shape(0);
+        size_t n_dg = chi_delayed.shape(1);
+        size_t n_g = chi_delayed.shape(2);
+        for (size_t a = 0; a < n_ang; a++)
+          for (size_t d = 0; d < n_dg; d++)
+            for (size_t gin = 0; gin < n_g; gin++)
+              for (size_t gout = 0; gout < n_g; gout++)
+                chi_delayed(a, d, gin, gout) +=
+                  scalar * dnf_sum(a, d) * that->chi_delayed(a, d, gin, gout);
+      }
     }
     decay_rate += scalar * that->decay_rate;
   }
 
-  // Ensure the chi_prompt and chi_delayed are normalized to 1 for each
-  // azimuthal angle and delayed group (for chi_delayed)
-  chi_prompt /=
-    xt::view(xt::sum(chi_prompt, {2}), xt::all(), xt::all(), xt::newaxis());
-  chi_delayed /= xt::view(
-    xt::sum(chi_delayed, {3}), xt::all(), xt::all(), xt::all(), xt::newaxis());
+  // Normalize chi_prompt so it sums to 1 over outgoing groups
+  {
+    size_t n_ang = chi_prompt.shape(0);
+    size_t n_g = chi_prompt.shape(1);
+    for (size_t a = 0; a < n_ang; a++)
+      for (size_t gin = 0; gin < n_g; gin++) {
+        tensor::View<double> row = chi_prompt.slice(a, gin);
+        row /= row.sum();
+      }
+  }
+  // Normalize chi_delayed so it sums to 1 over outgoing groups
+  {
+    size_t n_ang = chi_delayed.shape(0);
+    size_t n_dg = chi_delayed.shape(1);
+    size_t n_g = chi_delayed.shape(2);
+    for (size_t a = 0; a < n_ang; a++)
+      for (size_t d = 0; d < n_dg; d++)
+        for (size_t gin = 0; gin < n_g; gin++) {
+          tensor::View<double> row = chi_delayed.slice(a, d, gin);
+          row /= row.sum();
+        }
+  }
 
   // Allow the ScattData object to combine itself
-  for (size_t a = 0; a < total.shape()[0]; a++) {
+  for (size_t a = 0; a < total.shape(0); a++) {
     // Build vector of the scattering objects to incorporate
     vector<ScattData*> those_scatts(those_xs.size());
     for (size_t i = 0; i < those_xs.size(); i++) {
diff --git a/tests/cpp_unit_tests/CMakeLists.txt b/tests/cpp_unit_tests/CMakeLists.txt
index 20341b420..ce7e539ea 100644
--- a/tests/cpp_unit_tests/CMakeLists.txt
+++ b/tests/cpp_unit_tests/CMakeLists.txt
@@ -7,6 +7,7 @@ set(TEST_NAMES
   test_mcpl_stat_sum
   test_mesh
   test_region
+  test_tensor
   # Add additional unit test files here
 )
 
diff --git a/tests/cpp_unit_tests/test_tensor.cpp b/tests/cpp_unit_tests/test_tensor.cpp
new file mode 100644
index 000000000..6eae1cea6
--- /dev/null
+++ b/tests/cpp_unit_tests/test_tensor.cpp
@@ -0,0 +1,987 @@
+#include <cmath>
+#include <vector>
+
+#include <catch2/catch_test_macros.hpp>
+#include <catch2/matchers/catch_matchers_floating_point.hpp>
+
+#include "openmc/tensor.h"
+
+using namespace openmc;
+using namespace openmc::tensor;
+
+// ============================================================================
+// Tensor constructors
+// ============================================================================
+
+TEST_CASE("Tensor default constructor")
+{
+  Tensor<double> t;
+  REQUIRE(t.size() == 0);
+  REQUIRE(t.empty());
+  REQUIRE(t.shape().empty());
+}
+
+TEST_CASE("Tensor shape constructor")
+{
+  Tensor<double> t1({5});
+  REQUIRE(t1.size() == 5);
+  REQUIRE(t1.shape().size() == 1);
+  REQUIRE(t1.shape(0) == 5);
+
+  Tensor<double> t2({3, 4});
+  REQUIRE(t2.size() == 12);
+  REQUIRE(t2.shape().size() == 2);
+  REQUIRE(t2.shape(0) == 3);
+  REQUIRE(t2.shape(1) == 4);
+
+  Tensor<int> t3({2, 3, 4});
+  REQUIRE(t3.size() == 24);
+  REQUIRE(t3.shape().size() == 3);
+}
+
+TEST_CASE("Tensor shape + fill constructor")
+{
+  Tensor<double> t({2, 3}, 7.0);
+  REQUIRE(t.size() == 6);
+  for (size_t i = 0; i < t.size(); ++i)
+    REQUIRE(t[i] == 7.0);
+}
+
+TEST_CASE("Tensor pointer constructor")
+{
+  double vals[] = {1.0, 2.0, 3.0, 4.0};
+  Tensor<double> t(vals, 4);
+  REQUIRE(t.size() == 4);
+  REQUIRE(t.shape(0) == 4);
+  REQUIRE(t[0] == 1.0);
+  REQUIRE(t[1] == 2.0);
+  REQUIRE(t[2] == 3.0);
+  REQUIRE(t[3] == 4.0);
+}
+
+TEST_CASE("Tensor copy and move")
+{
+  Tensor<double> a({2, 3}, 5.0);
+  Tensor<double> b(a);
+  REQUIRE(b.size() == 6);
+  REQUIRE(b(0, 0) == 5.0);
+  // Modifying copy doesn't affect original
+  b(0, 0) = 99.0;
+  REQUIRE(a(0, 0) == 5.0);
+
+  Tensor<double> c(std::move(b));
+  REQUIRE(c(0, 0) == 99.0);
+  REQUIRE(c.size() == 6);
+}
+
+// ============================================================================
+// Tensor indexing
+// ============================================================================
+
+TEST_CASE("Tensor 1D indexing")
+{
+  Tensor<int> t({4}, 0);
+  t[0] = 10;
+  t[1] = 20;
+  t[2] = 30;
+  t[3] = 40;
+  REQUIRE(t(0) == 10);
+  REQUIRE(t(1) == 20);
+  REQUIRE(t(2) == 30);
+  REQUIRE(t(3) == 40);
+}
+
+TEST_CASE("Tensor 2D indexing (row-major)")
+{
+  // Layout: [[1, 2, 3], [4, 5, 6]]
+  Tensor<int> t({2, 3}, 0);
+  int val = 1;
+  for (size_t i = 0; i < 2; ++i)
+    for (size_t j = 0; j < 3; ++j)
+      t(i, j) = val++;
+
+  REQUIRE(t(0, 0) == 1);
+  REQUIRE(t(0, 2) == 3);
+  REQUIRE(t(1, 0) == 4);
+  REQUIRE(t(1, 2) == 6);
+  // Flat index should match row-major order
+  REQUIRE(t[0] == 1);
+  REQUIRE(t[3] == 4);
+  REQUIRE(t[5] == 6);
+}
+
+TEST_CASE("Tensor 3D indexing")
+{
+  // 2x3x4 tensor
+  Tensor<int> t({2, 3, 4}, 0);
+  t(1, 2, 3) = 42;
+  // Flat index: 1*12 + 2*4 + 3 = 23
+  REQUIRE(t[23] == 42);
+  REQUIRE(t(1, 2, 3) == 42);
+}
+
+// ============================================================================
+// Tensor assignment
+// ============================================================================
+
+TEST_CASE("Tensor initializer_list assignment")
+{
+  Tensor<double> t;
+  t = {1.0, 2.0, 3.0};
+  REQUIRE(t.size() == 3);
+  REQUIRE(t.shape(0) == 3);
+  REQUIRE(t[0] == 1.0);
+  REQUIRE(t[2] == 3.0);
+}
+
+// ============================================================================
+// Tensor mutation
+// ============================================================================
+
+TEST_CASE("Tensor resize")
+{
+  Tensor<double> t({2, 3}, 1.0);
+  REQUIRE(t.size() == 6);
+  t.resize({4, 5});
+  REQUIRE(t.size() == 20);
+  REQUIRE(t.shape(0) == 4);
+  REQUIRE(t.shape(1) == 5);
+}
+
+TEST_CASE("Tensor reshape")
+{
+  Tensor<int> t({12}, 0);
+  for (size_t i = 0; i < 12; ++i)
+    t[i] = static_cast<int>(i);
+
+  t.reshape({3, 4});
+  REQUIRE(t.shape(0) == 3);
+  REQUIRE(t.shape(1) == 4);
+  REQUIRE(t.size() == 12);
+  // Data unchanged, just reinterpreted
+  REQUIRE(t(0, 0) == 0);
+  REQUIRE(t(1, 0) == 4);  // row 1, col 0 = flat index 4
+  REQUIRE(t(2, 3) == 11); // row 2, col 3 = flat index 11
+}
+
+TEST_CASE("Tensor fill")
+{
+  Tensor<double> t({3, 3}, 0.0);
+  t.fill(42.0);
+  for (size_t i = 0; i < t.size(); ++i)
+    REQUIRE(t[i] == 42.0);
+}
+
+// ============================================================================
+// Tensor iterators
+// ============================================================================
+
+TEST_CASE("Tensor iterators")
+{
+  Tensor<int> t({4}, 0);
+  t = {10, 20, 30, 40};
+  int sum = 0;
+  for (auto val : t)
+    sum += val;
+  REQUIRE(sum == 100);
+}
+
+// ============================================================================
+// Tensor reductions
+// ============================================================================
+
+TEST_CASE("Tensor sum (full)")
+{
+  Tensor<double> t({3}, 0.0);
+  t = {1.0, 2.0, 3.0};
+  REQUIRE(t.sum() == 6.0);
+}
+
+TEST_CASE("Tensor sum (axis) on 2D")
+{
+  // [[1, 2, 3],
+  //  [4, 5, 6]]
+  Tensor<int> t({2, 3}, 0);
+  int v = 1;
+  for (size_t i = 0; i < 2; ++i)
+    for (size_t j = 0; j < 3; ++j)
+      t(i, j) = v++;
+
+  // Sum along axis 0 -> [5, 7, 9]
+  Tensor<int> s0 = t.sum(0);
+  REQUIRE(s0.size() == 3);
+  REQUIRE(s0[0] == 5);
+  REQUIRE(s0[1] == 7);
+  REQUIRE(s0[2] == 9);
+
+  // Sum along axis 1 -> [6, 15]
+  Tensor<int> s1 = t.sum(1);
+  REQUIRE(s1.size() == 2);
+  REQUIRE(s1[0] == 6);
+  REQUIRE(s1[1] == 15);
+}
+
+TEST_CASE("Tensor sum (axis) on 3D")
+{
+  // 2x3x2 tensor filled with sequential values 1..12
+  Tensor<int> t({2, 3, 2}, 0);
+  int v = 1;
+  for (size_t i = 0; i < 2; ++i)
+    for (size_t j = 0; j < 3; ++j)
+      for (size_t k = 0; k < 2; ++k)
+        t(i, j, k) = v++;
+
+  // Sum along axis 1 (middle) -> 2x2, each sums 3 values
+  // [0,0]: t(0,0,0)+t(0,1,0)+t(0,2,0) = 1+3+5 = 9
+  // [0,1]: t(0,0,1)+t(0,1,1)+t(0,2,1) = 2+4+6 = 12
+  // [1,0]: t(1,0,0)+t(1,1,0)+t(1,2,0) = 7+9+11 = 27
+  // [1,1]: t(1,0,1)+t(1,1,1)+t(1,2,1) = 8+10+12 = 30
+  Tensor<int> s = t.sum(1);
+  REQUIRE(s.shape(0) == 2);
+  REQUIRE(s.shape(1) == 2);
+  REQUIRE(s(0, 0) == 9);
+  REQUIRE(s(0, 1) == 12);
+  REQUIRE(s(1, 0) == 27);
+  REQUIRE(s(1, 1) == 30);
+}
+
+TEST_CASE("Tensor prod")
+{
+  Tensor<int> t({4}, 0);
+  t = {1, 2, 3, 4};
+  REQUIRE(t.prod() == 24);
+}
+
+TEST_CASE("Tensor any and all")
+{
+  Tensor<bool> t({4}, false);
+  REQUIRE(!t.any());
+  REQUIRE(!t.all());
+
+  // Set one element true
+  t.data()[0] = true;
+  REQUIRE(t.any());
+  REQUIRE(!t.all());
+
+  // Set all true
+  for (size_t i = 0; i < t.size(); ++i)
+    t.data()[i] = true;
+  REQUIRE(t.any());
+  REQUIRE(t.all());
+}
+
+TEST_CASE("Tensor argmin")
+{
+  Tensor<double> t({5}, 0.0);
+  t = {3.0, 1.0, 4.0, 0.5, 2.0};
+  REQUIRE(t.argmin() == 3);
+}
+
+TEST_CASE("Tensor flip")
+{
+  Tensor<int> t({5}, 0);
+  t = {1, 2, 3, 4, 5};
+  Tensor<int> f = t.flip(0);
+  REQUIRE(f[0] == 5);
+  REQUIRE(f[1] == 4);
+  REQUIRE(f[2] == 3);
+  REQUIRE(f[3] == 2);
+  REQUIRE(f[4] == 1);
+}
+
+TEST_CASE("Tensor flip 2D")
+{
+  // [[1, 2], [3, 4], [5, 6]]
+  Tensor<int> t({3, 2}, 0);
+  t(0, 0) = 1;
+  t(0, 1) = 2;
+  t(1, 0) = 3;
+  t(1, 1) = 4;
+  t(2, 0) = 5;
+  t(2, 1) = 6;
+
+  // Flip axis 0 reverses rows -> [[5,6],[3,4],[1,2]]
+  Tensor<int> f = t.flip(0);
+  REQUIRE(f(0, 0) == 5);
+  REQUIRE(f(0, 1) == 6);
+  REQUIRE(f(1, 0) == 3);
+  REQUIRE(f(2, 0) == 1);
+}
+
+// ============================================================================
+// Tensor operators
+// ============================================================================
+
+TEST_CASE("Tensor scalar compound assignment")
+{
+  Tensor<double> t({3}, 0.0);
+  t = {2.0, 4.0, 6.0};
+
+  t += 1.0;
+  REQUIRE(t[0] == 3.0);
+  REQUIRE(t[1] == 5.0);
+
+  t -= 1.0;
+  REQUIRE(t[0] == 2.0);
+
+  t *= 3.0;
+  REQUIRE(t[0] == 6.0);
+  REQUIRE(t[1] == 12.0);
+
+  t /= 2.0;
+  REQUIRE(t[0] == 3.0);
+  REQUIRE(t[1] == 6.0);
+}
+
+TEST_CASE("Tensor element-wise arithmetic")
+{
+  Tensor<double> a({3}, 0.0);
+  Tensor<double> b({3}, 0.0);
+  a = {1.0, 2.0, 3.0};
+  b = {4.0, 5.0, 6.0};
+
+  Tensor<double> c = a + b;
+  REQUIRE(c[0] == 5.0);
+  REQUIRE(c[1] == 7.0);
+  REQUIRE(c[2] == 9.0);
+
+  c = a - b;
+  REQUIRE(c[0] == -3.0);
+
+  c = a / b;
+  REQUIRE(c[0] == 0.25);
+}
+
+TEST_CASE("Tensor scalar arithmetic")
+{
+  Tensor<double> a({3}, 0.0);
+  a = {1.0, 2.0, 3.0};
+
+  Tensor<double> b = a + 10.0;
+  REQUIRE(b[0] == 11.0);
+  REQUIRE(b[2] == 13.0);
+
+  b = a - 1.0;
+  REQUIRE(b[0] == 0.0);
+
+  b = a * 2.0;
+  REQUIRE(b[0] == 2.0);
+  REQUIRE(b[2] == 6.0);
+
+  // Non-member scalar * tensor (commutativity)
+  b = 2.0 * a;
+  REQUIRE(b[0] == 2.0);
+  REQUIRE(b[2] == 6.0);
+
+  // Non-member scalar + tensor
+  b = 10.0 + a;
+  REQUIRE(b[0] == 11.0);
+}
+
+TEST_CASE("Tensor compound addition with tensor")
+{
+  Tensor<double> a({3}, 0.0);
+  Tensor<double> b({3}, 0.0);
+  a = {1.0, 2.0, 3.0};
+  b = {10.0, 20.0, 30.0};
+  a += b;
+  REQUIRE(a[0] == 11.0);
+  REQUIRE(a[1] == 22.0);
+  REQUIRE(a[2] == 33.0);
+}
+
+TEST_CASE("Tensor comparison operators")
+{
+  Tensor<double> t({4}, 0.0);
+  t = {1.0, 2.0, 3.0, 4.0};
+
+  Tensor<bool> r = t < 3.0;
+  REQUIRE(r.data()[0] == true);
+  REQUIRE(r.data()[1] == true);
+  REQUIRE(r.data()[2] == false);
+  REQUIRE(r.data()[3] == false);
+
+  r = t >= 3.0;
+  REQUIRE(r.data()[0] == false);
+  REQUIRE(r.data()[2] == true);
+  REQUIRE(r.data()[3] == true);
+
+  r = t <= 2.0;
+  REQUIRE(r.data()[0] == true);
+  REQUIRE(r.data()[1] == true);
+  REQUIRE(r.data()[2] == false);
+
+  r = t > 3.0;
+  REQUIRE(r.data()[0] == false);
+  REQUIRE(r.data()[3] == true);
+}
+
+TEST_CASE("Tensor element-wise comparison")
+{
+  Tensor<double> a({3}, 0.0);
+  Tensor<double> b({3}, 0.0);
+  a = {1.0, 5.0, 3.0};
+  b = {2.0, 4.0, 3.0};
+
+  Tensor<bool> r = a < b;
+  REQUIRE(r.data()[0] == true);
+  REQUIRE(r.data()[1] == false);
+  REQUIRE(r.data()[2] == false);
+}
+
+TEST_CASE("Tensor mixed-type multiply")
+{
+  Tensor<int> a({3}, 0);
+  Tensor<double> b({3}, 0.0);
+  a = {2, 3, 4};
+  b = {1.5, 2.5, 3.5};
+
+  Tensor<double> c = a * b;
+  REQUIRE(c[0] == 3.0);
+  REQUIRE(c[1] == 7.5);
+  REQUIRE(c[2] == 14.0);
+}
+
+TEST_CASE("Tensor mixed-type divide")
+{
+  Tensor<double> a({3}, 0.0);
+  Tensor<int> b({3}, 0);
+  a = {10.0, 20.0, 30.0};
+  b = {2, 4, 5};
+
+  Tensor<double> c = a / b;
+  REQUIRE(c[0] == 5.0);
+  REQUIRE(c[1] == 5.0);
+  REQUIRE(c[2] == 6.0);
+}
+
+// ============================================================================
+// Tensor bool specialization
+// ============================================================================
+
+TEST_CASE("Tensor<bool> storage")
+{
+  // Tensor<bool> uses unsigned char internally to avoid std::vector<bool> proxy
+  Tensor<bool> t({4}, false);
+  t.data()[0] = true;
+  t.data()[2] = true;
+  REQUIRE(t.any());
+  REQUIRE(!t.all());
+  REQUIRE(t.data()[0] == true);
+  REQUIRE(t.data()[1] == false);
+}
+
+// ============================================================================
+// View (via Tensor accessors)
+// ============================================================================
+
+TEST_CASE("Tensor slice axis 0 (2D)")
+{
+  // [[1, 2, 3], [4, 5, 6]]
+  Tensor<int> t({2, 3}, 0);
+  int v = 1;
+  for (size_t i = 0; i < 2; ++i)
+    for (size_t j = 0; j < 3; ++j)
+      t(i, j) = v++;
+
+  auto r0 = t.slice(0);
+  REQUIRE(r0.size() == 3);
+  REQUIRE(r0[0] == 1);
+  REQUIRE(r0[1] == 2);
+  REQUIRE(r0[2] == 3);
+
+  auto r1 = t.slice(1);
+  REQUIRE(r1[0] == 4);
+  REQUIRE(r1[1] == 5);
+  REQUIRE(r1[2] == 6);
+
+  // Writing through view modifies the tensor
+  r0[1] = 99;
+  REQUIRE(t(0, 1) == 99);
+}
+
+TEST_CASE("Tensor slice axis 1 (2D)")
+{
+  // [[1, 2], [3, 4], [5, 6]]
+  Tensor<int> t({3, 2}, 0);
+  t(0, 0) = 1;
+  t(0, 1) = 2;
+  t(1, 0) = 3;
+  t(1, 1) = 4;
+  t(2, 0) = 5;
+  t(2, 1) = 6;
+
+  auto c0 = t.slice(all, 0);
+  REQUIRE(c0.size() == 3);
+  REQUIRE(c0[0] == 1);
+  REQUIRE(c0[1] == 3);
+  REQUIRE(c0[2] == 5);
+
+  auto c1 = t.slice(all, 1);
+  REQUIRE(c1[0] == 2);
+  REQUIRE(c1[1] == 4);
+  REQUIRE(c1[2] == 6);
+
+  // Write through column view
+  c1[0] = 77;
+  REQUIRE(t(0, 1) == 77);
+}
+
+TEST_CASE("Tensor slice with range")
+{
+  Tensor<int> t({6}, 0);
+  t = {10, 20, 30, 40, 50, 60};
+
+  // range(start, end)
+  auto s = t.slice(range(1, 4));
+  REQUIRE(s.size() == 3);
+  REQUIRE(s[0] == 20);
+  REQUIRE(s[1] == 30);
+  REQUIRE(s[2] == 40);
+
+  // range(end) from start — range(3) means [0, 3)
+  auto s2 = t.slice(range(3));
+  REQUIRE(s2.size() == 3);
+  REQUIRE(s2[0] == 10);
+  REQUIRE(s2[2] == 30);
+
+  // range(start, SIZE_MAX) to end
+  auto s3 = t.slice(range(3, 6));
+  REQUIRE(s3.size() == 3);
+  REQUIRE(s3[0] == 40);
+  REQUIRE(s3[2] == 60);
+
+  // Write through slice
+  s[0] = 99;
+  REQUIRE(t[1] == 99);
+}
+
+TEST_CASE("Tensor flat view")
+{
+  Tensor<int> t({2, 3}, 0);
+  int v = 1;
+  for (size_t i = 0; i < 2; ++i)
+    for (size_t j = 0; j < 3; ++j)
+      t(i, j) = v++;
+
+  auto f = t.flat();
+  REQUIRE(f.size() == 6);
+  REQUIRE(f[0] == 1);
+  REQUIRE(f[5] == 6);
+}
+
+TEST_CASE("Tensor slice on 3D")
+{
+  // 2x3x4 tensor
+  Tensor<int> t({2, 3, 4}, 0);
+  int v = 0;
+  for (size_t i = 0; i < 2; ++i)
+    for (size_t j = 0; j < 3; ++j)
+      for (size_t k = 0; k < 4; ++k)
+        t(i, j, k) = v++;
+
+  // slice(1) -> fix axis 0 at 1 -> 3x4 view
+  auto s = t.slice(1);
+  REQUIRE(s.size() == 12);
+  // t(1,0,0) = 12, t(1,0,1) = 13, ...
+  REQUIRE(s(0, 0) == 12);
+  REQUIRE(s(0, 1) == 13);
+  REQUIRE(s(2, 3) == 23);
+
+  // slice(all, 2) -> fix axis 1 at 2 -> 2x4 view
+  auto s2 = t.slice(all, 2);
+  REQUIRE(s2.size() == 8);
+  // t(0,2,0)=8, t(0,2,1)=9, t(1,2,0)=20
+  REQUIRE(s2(0, 0) == 8);
+  REQUIRE(s2(0, 1) == 9);
+  REQUIRE(s2(1, 0) == 20);
+}
+
+TEST_CASE("Tensor multi-axis slice")
+{
+  // 2x3x4 tensor with sequential values
+  Tensor<int> t({2, 3, 4}, 0);
+  int v = 0;
+  for (size_t i = 0; i < 2; ++i)
+    for (size_t j = 0; j < 3; ++j)
+      for (size_t k = 0; k < 4; ++k)
+        t(i, j, k) = v++;
+
+  // slice(1, 2) -> fix axes 0 and 1 -> 1D view of 4 elements
+  // Equivalent to numpy t[1, 2, :] -> t(1,2,0..3) = [20, 21, 22, 23]
+  auto s = t.slice(1, 2);
+  REQUIRE(s.size() == 4);
+  REQUIRE(s[0] == 20);
+  REQUIRE(s[1] == 21);
+  REQUIRE(s[3] == 23);
+
+  // slice(all, 1, range(1, 3)) -> keep axis 0, fix axis 1, range on axis 2
+  // Equivalent to numpy t[:, 1, 1:3]
+  // t(0,1,1)=5, t(0,1,2)=6, t(1,1,1)=17, t(1,1,2)=18
+  auto s2 = t.slice(all, 1, range(1, 3));
+  REQUIRE(s2.size() == 4);
+  REQUIRE(s2.ndim() == 2);
+  REQUIRE(s2(0, 0) == 5);
+  REQUIRE(s2(0, 1) == 6);
+  REQUIRE(s2(1, 0) == 17);
+  REQUIRE(s2(1, 1) == 18);
+
+  // slice(0, range(0, 2)) -> fix axis 0 at 0, range on axis 1
+  // Equivalent to numpy t[0, 0:2, :] -> shape (2, 4)
+  auto s3 = t.slice(0, range(0, 2));
+  REQUIRE(s3.ndim() == 2);
+  REQUIRE(s3.shape(0) == 2);
+  REQUIRE(s3.shape(1) == 4);
+  REQUIRE(s3(0, 0) == 0); // t(0,0,0)
+  REQUIRE(s3(1, 3) == 7); // t(0,1,3)
+}
+
+// ============================================================================
+// View assignment and arithmetic
+// ============================================================================
+
+TEST_CASE("View scalar assignment (fill)")
+{
+  Tensor<double> t({2, 3}, 0.0);
+  auto r = t.slice(0);
+  r = 7.0;
+  REQUIRE(t(0, 0) == 7.0);
+  REQUIRE(t(0, 1) == 7.0);
+  REQUIRE(t(0, 2) == 7.0);
+  REQUIRE(t(1, 0) == 0.0); // Other row unchanged
+}
+
+TEST_CASE("View initializer_list assignment")
+{
+  Tensor<double> t({2, 3}, 0.0);
+  auto r = t.slice(1);
+  r = {10.0, 20.0, 30.0};
+  REQUIRE(t(1, 0) == 10.0);
+  REQUIRE(t(1, 1) == 20.0);
+  REQUIRE(t(1, 2) == 30.0);
+}
+
+TEST_CASE("View copy assignment (deep copy)")
+{
+  Tensor<double> t({2, 3}, 0.0);
+  t.slice(0) = {1.0, 2.0, 3.0};
+  t.slice(1) = {4.0, 5.0, 6.0};
+
+  // Copy row 0 into row 1
+  t.slice(1) = t.slice(0);
+  REQUIRE(t(1, 0) == 1.0);
+  REQUIRE(t(1, 1) == 2.0);
+  REQUIRE(t(1, 2) == 3.0);
+}
+
+TEST_CASE("View compound operators")
+{
+  Tensor<double> t({2, 3}, 0.0);
+  t.slice(0) = {1.0, 2.0, 3.0};
+
+  t.slice(0) *= 2.0;
+  REQUIRE(t(0, 0) == 2.0);
+  REQUIRE(t(0, 1) == 4.0);
+
+  t.slice(0) /= 2.0;
+  REQUIRE(t(0, 0) == 1.0);
+  REQUIRE(t(0, 1) == 2.0);
+}
+
+TEST_CASE("View assignment from tensor")
+{
+  Tensor<double> t({2, 3}, 0.0);
+  Tensor<double> vals({3}, 0.0);
+  vals = {7.0, 8.0, 9.0};
+
+  t.slice(1) = vals;
+  REQUIRE(t(1, 0) == 7.0);
+  REQUIRE(t(1, 1) == 8.0);
+  REQUIRE(t(1, 2) == 9.0);
+}
+
+TEST_CASE("View compound addition from tensor")
+{
+  Tensor<double> t({2, 3}, 0.0);
+  t.slice(0) = {1.0, 2.0, 3.0};
+  Tensor<double> vals({3}, 0.0);
+  vals = {10.0, 20.0, 30.0};
+
+  t.slice(0) += vals;
+  REQUIRE(t(0, 0) == 11.0);
+  REQUIRE(t(0, 1) == 22.0);
+  REQUIRE(t(0, 2) == 33.0);
+}
+
+TEST_CASE("View sum")
+{
+  Tensor<double> t({2, 3}, 0.0);
+  t.slice(0) = {1.0, 2.0, 3.0};
+  t.slice(1) = {4.0, 5.0, 6.0};
+
+  REQUIRE(t.slice(0).sum() == 6.0);
+  REQUIRE(t.slice(1).sum() == 15.0);
+}
+
+TEST_CASE("View iteration")
+{
+  Tensor<int> t({2, 3}, 0);
+  t.slice(0) = {1, 2, 3};
+
+  int sum = 0;
+  for (auto val : t.slice(0))
+    sum += val;
+  REQUIRE(sum == 6);
+}
+
+TEST_CASE("View sub-slice")
+{
+  Tensor<int> t({6}, 0);
+  t = {10, 20, 30, 40, 50, 60};
+
+  auto s = t.slice(range(1, 5));  // [20, 30, 40, 50]
+  auto ss = s.slice(range(1, 3)); // [30, 40]
+  REQUIRE(ss.size() == 2);
+  REQUIRE(ss[0] == 30);
+  REQUIRE(ss[1] == 40);
+}
+
+TEST_CASE("Tensor from View")
+{
+  Tensor<double> t({2, 3}, 0.0);
+  t.slice(0) = {1.0, 2.0, 3.0};
+
+  // Construct a new tensor from a view (copies data)
+  Tensor<double> t2(t.slice(0));
+  REQUIRE(t2.size() == 3);
+  REQUIRE(t2[0] == 1.0);
+  REQUIRE(t2[2] == 3.0);
+
+  // Modifying the new tensor doesn't affect the original
+  t2[0] = 99.0;
+  REQUIRE(t(0, 0) == 1.0);
+}
+
+// ============================================================================
+// Const View
+// ============================================================================
+
+TEST_CASE("Const tensor produces const views")
+{
+  Tensor<double> t({2, 3}, 0.0);
+  int v = 1;
+  for (size_t i = 0; i < 2; ++i)
+    for (size_t j = 0; j < 3; ++j)
+      t(i, j) = v++;
+
+  const Tensor<double>& ct = t;
+  auto r = ct.slice(0); // View<const double>
+  REQUIRE(r[0] == 1.0);
+  REQUIRE(r[2] == 3.0);
+
+  auto c = ct.slice(all, 1);
+  REQUIRE(c[0] == 2.0);
+  REQUIRE(c[1] == 5.0);
+}
+
+// ============================================================================
+// StaticTensor2D
+// ============================================================================
+
+TEST_CASE("StaticTensor2D basics")
+{
+  StaticTensor2D<double, 3, 4> t;
+  REQUIRE(t.size() == 12);
+  REQUIRE(t.shape()[0] == 3);
+  REQUIRE(t.shape()[1] == 4);
+
+  // Default-initialized to zero
+  REQUIRE(t(0, 0) == 0.0);
+
+  t(1, 2) = 42.0;
+  REQUIRE(t(1, 2) == 42.0);
+  // Flat data: row 1, col 2 = index 1*4 + 2 = 6
+  REQUIRE(t.data()[6] == 42.0);
+}
+
+TEST_CASE("StaticTensor2D fill")
+{
+  StaticTensor2D<int, 2, 3> t;
+  t.fill(5);
+  for (size_t i = 0; i < t.size(); ++i)
+    REQUIRE(t.data()[i] == 5);
+}
+
+TEST_CASE("StaticTensor2D iteration")
+{
+  StaticTensor2D<int, 2, 3> t;
+  t.fill(1);
+  int sum = 0;
+  for (auto val : t)
+    sum += val;
+  REQUIRE(sum == 6);
+}
+
+TEST_CASE("StaticTensor2D slice")
+{
+  StaticTensor2D<int, 3, 2> t;
+  t(0, 0) = 1;
+  t(0, 1) = 2;
+  t(1, 0) = 3;
+  t(1, 1) = 4;
+  t(2, 0) = 5;
+  t(2, 1) = 6;
+
+  // slice(1) = row 1 (fix axis 0 at 1)
+  auto r1 = t.slice(1);
+  REQUIRE(r1.size() == 2);
+  REQUIRE(r1[0] == 3);
+  REQUIRE(r1[1] == 4);
+
+  // slice(all, 0) = column 0 (fix axis 1 at 0)
+  auto c0 = t.slice(all, 0);
+  REQUIRE(c0.size() == 3);
+  REQUIRE(c0[0] == 1);
+  REQUIRE(c0[1] == 3);
+  REQUIRE(c0[2] == 5);
+}
+
+TEST_CASE("StaticTensor2D flat view")
+{
+  StaticTensor2D<double, 2, 2> t;
+  t(0, 0) = 1.0;
+  t(0, 1) = 2.0;
+  t(1, 0) = 3.0;
+  t(1, 1) = 4.0;
+
+  auto f = t.flat();
+  REQUIRE(f.size() == 4);
+  f = 0.0;
+  REQUIRE(t(0, 0) == 0.0);
+  REQUIRE(t(1, 1) == 0.0);
+}
+
+// ============================================================================
+// Non-member functions
+// ============================================================================
+
+TEST_CASE("zeros")
+{
+  auto t = zeros<double>({3, 4});
+  REQUIRE(t.size() == 12);
+  for (size_t i = 0; i < t.size(); ++i)
+    REQUIRE(t[i] == 0.0);
+}
+
+TEST_CASE("zeros_like")
+{
+  Tensor<double> a({2, 5}, 7.0);
+  auto b = zeros_like(a);
+  REQUIRE(b.size() == 10);
+  REQUIRE(b.shape(0) == 2);
+  REQUIRE(b.shape(1) == 5);
+  for (size_t i = 0; i < b.size(); ++i)
+    REQUIRE(b[i] == 0.0);
+}
+
+TEST_CASE("full_like")
+{
+  Tensor<int> a({4}, 0);
+  auto b = full_like(a, 42);
+  REQUIRE(b.size() == 4);
+  for (size_t i = 0; i < b.size(); ++i)
+    REQUIRE(b[i] == 42);
+}
+
+TEST_CASE("linspace")
+{
+  auto t = linspace(0.0, 1.0, 5);
+  REQUIRE(t.size() == 5);
+  REQUIRE(t[0] == 0.0);
+  REQUIRE(t[4] == 1.0);
+  REQUIRE_THAT(t[1], Catch::Matchers::WithinRel(0.25, 1e-12));
+  REQUIRE_THAT(t[2], Catch::Matchers::WithinRel(0.5, 1e-12));
+  REQUIRE_THAT(t[3], Catch::Matchers::WithinRel(0.75, 1e-12));
+}
+
+TEST_CASE("concatenate")
+{
+  Tensor<int> a({3}, 0);
+  Tensor<int> b({2}, 0);
+  a = {1, 2, 3};
+  b = {4, 5};
+
+  auto c = concatenate(a, b);
+  REQUIRE(c.size() == 5);
+  REQUIRE(c[0] == 1);
+  REQUIRE(c[2] == 3);
+  REQUIRE(c[3] == 4);
+  REQUIRE(c[4] == 5);
+}
+
+TEST_CASE("log")
+{
+  Tensor<double> t({3}, 0.0);
+  t = {1.0, std::exp(1.0), std::exp(2.0)};
+
+  auto r = log(t);
+  REQUIRE_THAT(r[0], Catch::Matchers::WithinAbs(0.0, 1e-12));
+  REQUIRE_THAT(r[1], Catch::Matchers::WithinAbs(1.0, 1e-12));
+  REQUIRE_THAT(r[2], Catch::Matchers::WithinAbs(2.0, 1e-12));
+}
+
+TEST_CASE("abs")
+{
+  Tensor<double> t({4}, 0.0);
+  t = {-3.0, -1.0, 0.0, 2.0};
+
+  auto r = abs(t);
+  REQUIRE(r[0] == 3.0);
+  REQUIRE(r[1] == 1.0);
+  REQUIRE(r[2] == 0.0);
+  REQUIRE(r[3] == 2.0);
+}
+
+TEST_CASE("where")
+{
+  Tensor<bool> cond({4}, false);
+  cond.data()[0] = true;
+  cond.data()[2] = true;
+
+  Tensor<double> vals({4}, 0.0);
+  vals = {10.0, 20.0, 30.0, 40.0};
+
+  auto r = where(cond, vals, -1.0);
+  REQUIRE(r[0] == 10.0);
+  REQUIRE(r[1] == -1.0);
+  REQUIRE(r[2] == 30.0);
+  REQUIRE(r[3] == -1.0);
+}
+
+TEST_CASE("nan_to_num")
+{
+  Tensor<double> t({4}, 0.0);
+  t[0] = 1.0;
+  t[1] = std::nan("");
+  t[2] = std::numeric_limits<double>::infinity();
+  t[3] = -std::numeric_limits<double>::infinity();
+
+  auto r = nan_to_num(t);
+  REQUIRE(r[0] == 1.0);
+  REQUIRE(r[1] == 0.0);                                   // NaN -> 0
+  REQUIRE(r[2] == std::numeric_limits<double>::max());    // +inf -> max
+  REQUIRE(r[3] == std::numeric_limits<double>::lowest()); // -inf -> lowest
+}
+
+// ============================================================================
+// is_tensor trait
+// ============================================================================
+
+TEST_CASE("is_tensor trait")
+{
+  REQUIRE(is_tensor<Tensor<double>>::value);
+  REQUIRE(is_tensor<Tensor<int>>::value);
+  REQUIRE(is_tensor<StaticTensor2D<double, 3, 3>>::value);
+  REQUIRE(!is_tensor<double>::value);
+  REQUIRE(!is_tensor<std::vector<double>>::value);
+}
diff --git a/tests/regression_tests/cpp_driver/driver.cpp b/tests/regression_tests/cpp_driver/driver.cpp
index a99c97b64..a6c3e6510 100644
--- a/tests/regression_tests/cpp_driver/driver.cpp
+++ b/tests/regression_tests/cpp_driver/driver.cpp
@@ -2,6 +2,8 @@
 #include <mpi.h>
 #endif
 
+#include <cassert>
+
 #include "openmc/capi.h"
 #include "openmc/cell.h"
 #include "openmc/error.h"
diff --git a/vendor/xtensor b/vendor/xtensor
deleted file mode 160000
index 3634f2ded..000000000
--- a/vendor/xtensor
+++ /dev/null
@@ -1 +0,0 @@
-Subproject commit 3634f2ded19e0cf38208c8b86cea9e1d7c8e397d
diff --git a/vendor/xtl b/vendor/xtl
deleted file mode 160000
index a7c1c5444..000000000
--- a/vendor/xtl
+++ /dev/null
@@ -1 +0,0 @@
-Subproject commit a7c1c5444dfc57f76620391af4c94785ff82c8d6

From d4dc08961897c7990665fa6dcae386bf0c0fe555 Mon Sep 17 00:00:00 2001
From: GuySten <62616591+GuySten@users.noreply.github.com>
Date: Wed, 18 Feb 2026 17:09:39 +0200
Subject: [PATCH 2531/2654] Remove redundant check (#3812)

---
 src/tallies/filter_energy.cpp | 7 +------
 1 file changed, 1 insertion(+), 6 deletions(-)

diff --git a/src/tallies/filter_energy.cpp b/src/tallies/filter_energy.cpp
index 0b954cce3..566b5710a 100644
--- a/src/tallies/filter_energy.cpp
+++ b/src/tallies/filter_energy.cpp
@@ -60,13 +60,8 @@ void EnergyFilter::get_all_bins(
   const Particle& p, TallyEstimator estimator, FilterMatch& match) const
 {
   if (p.g() != C_NONE && matches_transport_groups_) {
-    if (estimator == TallyEstimator::TRACKLENGTH) {
-      match.bins_.push_back(data::mg.num_energy_groups_ - p.g() - 1);
-    } else {
-      match.bins_.push_back(data::mg.num_energy_groups_ - p.g_last() - 1);
-    }
+    match.bins_.push_back(data::mg.num_energy_groups_ - p.g_last() - 1);
     match.weights_.push_back(1.0);
-
   } else {
     // Get the pre-collision energy of the particle.
     auto E = p.E_last();

From 6d6b051507c7e70958beb1a23bd69bf6172617f4 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Wed, 18 Feb 2026 18:18:05 +0100
Subject: [PATCH 2532/2654] avoid need to set particles and batches for dagmc
 models when calling convert_to_multigroup (#3801)

Co-authored-by: Jon Shimwell <jon@proximafusion.com>
Co-authored-by: Patrick Shriwise <pshriwise@gmail.com>
Co-authored-by: GuySten <62616591+GuySten@users.noreply.github.com>
---
 openmc/model/model.py                         |  7 +++
 .../dagmc/test_convert_to_multigroup.py       | 53 +++++++++++++++++++
 2 files changed, 60 insertions(+)
 create mode 100644 tests/unit_tests/dagmc/test_convert_to_multigroup.py

diff --git a/openmc/model/model.py b/openmc/model/model.py
index a512c4d38..0920b79e4 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -2584,9 +2584,16 @@ class Model:
             # TODO: Can this be done without having to init/finalize?
             for univ in self.geometry.get_all_universes().values():
                 if isinstance(univ, openmc.DAGMCUniverse):
+                    # Initialize in stochastic volume mode (non-transport mode)
+                    # This mode doesn't require
+                    # valid transport settings like particles/batches
+                    original_run_mode = self.settings.run_mode
+                    self.settings.run_mode = 'volume' 
                     self.init_lib(directory=tmpdir)
                     self.sync_dagmc_universes()
                     self.finalize_lib()
+                    # Restore original run mode
+                    self.settings.run_mode = original_run_mode
                     break
 
             # Make sure all materials have a name, and that the name is a valid HDF5
diff --git a/tests/unit_tests/dagmc/test_convert_to_multigroup.py b/tests/unit_tests/dagmc/test_convert_to_multigroup.py
new file mode 100644
index 000000000..069dc658e
--- /dev/null
+++ b/tests/unit_tests/dagmc/test_convert_to_multigroup.py
@@ -0,0 +1,53 @@
+"""Test that convert_to_multigroup works with DAGMC models without requiring
+particles/batches to be set beforehand.
+"""
+
+from pathlib import Path
+import pytest
+import openmc
+import openmc.lib
+
+pytestmark = pytest.mark.skipif(
+    not openmc.lib._dagmc_enabled(),
+    reason="DAGMC CAD geometry is not enabled.")
+
+
+def test_convert_to_multigroup_without_particles_batches(run_in_tmpdir):
+    """Test that convert_to_multigroup works with DAGMC model without
+    setting particles/batches beforehand."""
+    openmc.reset_auto_ids()
+    
+    mat = openmc.Material(name="mat")
+    mat.add_nuclide("Fe56", 1.0)
+    mat.set_density("g/cm3", 7.0)
+
+    # Use minimal tetrahedral DAGMC file
+    dagmc_file = Path(__file__).parent / "dagmc_tetrahedral_no_graveyard.h5m"
+    dagmc_univ = openmc.DAGMCUniverse(dagmc_file, auto_geom_ids=True)
+    bound_dagmc_univ = dagmc_univ.bounded_universe(padding_distance=1)
+
+    # Create model WITHOUT setting particles or batches
+    model = openmc.Model()
+    model.materials = openmc.Materials([mat])
+    model.geometry = openmc.Geometry(bound_dagmc_univ)
+    model.settings = openmc.Settings()  # Note: no particles or batches set!
+
+    model.settings.run_mode = 'fixed source'
+    
+    # Create a point source
+    my_source = openmc.IndependentSource()
+    my_source.space = openmc.stats.Point((0.25, 0.25, 0.25))
+    my_source.energy = openmc.stats.delta_function(14e6)
+    model.settings.source = my_source
+
+    # This should work without requiring particles/batches to be set
+    # convert_to_multigroup handles initialization internally using non-transport mode
+    model.convert_to_multigroup(
+        method='material_wise',
+        groups='CASMO-2',
+        nparticles=10,
+        overwrite_mgxs_library=True
+    )
+
+    # Verify the model was converted successfully
+    assert model.settings.energy_mode == 'multi-group'

From f007c85a5033a465b44064a856045dd8f041318c Mon Sep 17 00:00:00 2001
From: GuySten <62616591+GuySten@users.noreply.github.com>
Date: Thu, 19 Feb 2026 10:36:12 +0200
Subject: [PATCH 2533/2654] Check for positive radii (#3813)

---
 openmc/surface.py                | 31 +++++++++++---------
 tests/unit_tests/test_pin.py     |  5 ----
 tests/unit_tests/test_surface.py | 49 ++++++++++++++++++++++++++++++++
 3 files changed, 67 insertions(+), 18 deletions(-)

diff --git a/openmc/surface.py b/openmc/surface.py
index 97aca43b3..c2afeb613 100644
--- a/openmc/surface.py
+++ b/openmc/surface.py
@@ -38,10 +38,13 @@ class SurfaceCoefficient:
     value : float or str
         Value of the coefficient (float) or the name of the coefficient that
         it is equivalent to (str).
+    positive : bool
+        Does the surface coefficient must be positive. Defaults to False.
 
     """
-    def __init__(self, value):
+    def __init__(self, value, positive=False):
         self.value = value
+        self.positive = positive
 
     def __get__(self, instance, owner=None):
         if instance is None:
@@ -56,6 +59,8 @@ class SurfaceCoefficient:
         if isinstance(self.value, Real):
             raise AttributeError('This coefficient is read-only')
         check_type(f'{self.value} coefficient', value, Real)
+        if self.positive:
+            check_greater_than(f'{self.value} coefficient', value, 0.0)
         instance._coefficients[self.value] = value
 
 
@@ -1261,7 +1266,7 @@ class Cylinder(QuadricMixin, Surface):
     x0 = SurfaceCoefficient('x0')
     y0 = SurfaceCoefficient('y0')
     z0 = SurfaceCoefficient('z0')
-    r = SurfaceCoefficient('r')
+    r = SurfaceCoefficient('r', positive=True)
     dx = SurfaceCoefficient('dx')
     dy = SurfaceCoefficient('dy')
     dz = SurfaceCoefficient('dz')
@@ -1427,7 +1432,7 @@ class XCylinder(QuadricMixin, Surface):
     x0 = SurfaceCoefficient(0.)
     y0 = SurfaceCoefficient('y0')
     z0 = SurfaceCoefficient('z0')
-    r = SurfaceCoefficient('r')
+    r = SurfaceCoefficient('r', positive=True)
     dx = SurfaceCoefficient(1.)
     dy = SurfaceCoefficient(0.)
     dz = SurfaceCoefficient(0.)
@@ -1525,7 +1530,7 @@ class YCylinder(QuadricMixin, Surface):
     x0 = SurfaceCoefficient('x0')
     y0 = SurfaceCoefficient(0.)
     z0 = SurfaceCoefficient('z0')
-    r = SurfaceCoefficient('r')
+    r = SurfaceCoefficient('r', positive=True)
     dx = SurfaceCoefficient(0.)
     dy = SurfaceCoefficient(1.)
     dz = SurfaceCoefficient(0.)
@@ -1623,7 +1628,7 @@ class ZCylinder(QuadricMixin, Surface):
     x0 = SurfaceCoefficient('x0')
     y0 = SurfaceCoefficient('y0')
     z0 = SurfaceCoefficient(0.)
-    r = SurfaceCoefficient('r')
+    r = SurfaceCoefficient('r', positive=True)
     dx = SurfaceCoefficient(0.)
     dy = SurfaceCoefficient(0.)
     dz = SurfaceCoefficient(1.)
@@ -1723,7 +1728,7 @@ class Sphere(QuadricMixin, Surface):
     x0 = SurfaceCoefficient('x0')
     y0 = SurfaceCoefficient('y0')
     z0 = SurfaceCoefficient('z0')
-    r = SurfaceCoefficient('r')
+    r = SurfaceCoefficient('r', positive=True)
 
     def _get_base_coeffs(self):
         x0, y0, z0, r = self.x0, self.y0, self.z0, self.r
@@ -1849,7 +1854,7 @@ class Cone(QuadricMixin, Surface):
     x0 = SurfaceCoefficient('x0')
     y0 = SurfaceCoefficient('y0')
     z0 = SurfaceCoefficient('z0')
-    r2 = SurfaceCoefficient('r2')
+    r2 = SurfaceCoefficient('r2', positive=True)
     dx = SurfaceCoefficient('dx')
     dy = SurfaceCoefficient('dy')
     dz = SurfaceCoefficient('dz')
@@ -1985,7 +1990,7 @@ class XCone(QuadricMixin, Surface):
     x0 = SurfaceCoefficient('x0')
     y0 = SurfaceCoefficient('y0')
     z0 = SurfaceCoefficient('z0')
-    r2 = SurfaceCoefficient('r2')
+    r2 = SurfaceCoefficient('r2', positive=True)
     dx = SurfaceCoefficient(1.)
     dy = SurfaceCoefficient(0.)
     dz = SurfaceCoefficient(0.)
@@ -2087,7 +2092,7 @@ class YCone(QuadricMixin, Surface):
     x0 = SurfaceCoefficient('x0')
     y0 = SurfaceCoefficient('y0')
     z0 = SurfaceCoefficient('z0')
-    r2 = SurfaceCoefficient('r2')
+    r2 = SurfaceCoefficient('r2', positive=True)
     dx = SurfaceCoefficient(0.)
     dy = SurfaceCoefficient(1.)
     dz = SurfaceCoefficient(0.)
@@ -2189,7 +2194,7 @@ class ZCone(QuadricMixin, Surface):
     x0 = SurfaceCoefficient('x0')
     y0 = SurfaceCoefficient('y0')
     z0 = SurfaceCoefficient('z0')
-    r2 = SurfaceCoefficient('r2')
+    r2 = SurfaceCoefficient('r2', positive=True)
     dx = SurfaceCoefficient(0.)
     dy = SurfaceCoefficient(0.)
     dz = SurfaceCoefficient(1.)
@@ -2292,9 +2297,9 @@ class TorusMixin:
     x0 = SurfaceCoefficient('x0')
     y0 = SurfaceCoefficient('y0')
     z0 = SurfaceCoefficient('z0')
-    a = SurfaceCoefficient('a')
-    b = SurfaceCoefficient('b')
-    c = SurfaceCoefficient('c')
+    a = SurfaceCoefficient('a', positive=True)
+    b = SurfaceCoefficient('b', positive=True)
+    c = SurfaceCoefficient('c', positive=True)
 
     def translate(self, vector, inplace=False):
         surf = self if inplace else self.clone()
diff --git a/tests/unit_tests/test_pin.py b/tests/unit_tests/test_pin.py
index 5496a3b73..53665b1a6 100644
--- a/tests/unit_tests/test_pin.py
+++ b/tests/unit_tests/test_pin.py
@@ -46,11 +46,6 @@ def test_failure(pin_mats, good_radii):
     with pytest.raises(ValueError, match="length"):
         pin(good_surfaces[:len(pin_mats) - 2], pin_mats)
 
-    # Non-positive radii
-    rad = [openmc.ZCylinder(r=-0.1)] + good_surfaces[1:]
-    with pytest.raises(ValueError, match="index 0"):
-        pin(rad, pin_mats)
-
     # Non-increasing radii
     surfs = tuple(reversed(good_surfaces))
     with pytest.raises(ValueError, match="index 1"):
diff --git a/tests/unit_tests/test_surface.py b/tests/unit_tests/test_surface.py
index aaf591e05..f5c0b8f8b 100644
--- a/tests/unit_tests/test_surface.py
+++ b/tests/unit_tests/test_surface.py
@@ -195,6 +195,12 @@ def test_cylinder():
     assert s.dy == -1
     assert s.dz == 1
     assert s.r == 2
+    
+    # Check radius must be positive
+    with pytest.raises(ValueError):
+        openmc.Cylinder(x0=x0, y0=y0, z0=z0, dx=dx, dy=dy, dz=dz, r=0.0)
+    with pytest.raises(ValueError):
+        openmc.Cylinder(x0=x0, y0=y0, z0=z0, dx=dx, dy=dy, dz=dz, r=-1.0)        
 
     # Check bounding box
     assert_infinite_bb(s)
@@ -244,6 +250,12 @@ def test_xcylinder():
     assert s.y0 == y
     assert s.z0 == z
     assert s.r == r
+    
+    # Check radius must be positive
+    with pytest.raises(ValueError):
+        openmc.XCylinder(y0=y, z0=z, r=0.0)
+    with pytest.raises(ValueError):
+        openmc.XCylinder(y0=y, z0=z, r=-1.0)
 
     # Check bounding box
     ll, ur = (+s).bounding_box
@@ -290,6 +302,12 @@ def test_ycylinder():
     assert s.x0 == x
     assert s.z0 == z
     assert s.r == r
+    
+    # Check radius must be positive
+    with pytest.raises(ValueError):
+        openmc.YCylinder(x0=x, z0=z, r=0.0)
+    with pytest.raises(ValueError):
+        openmc.YCylinder(x0=x, z0=z, r=-1.0)
 
     # Check bounding box
     ll, ur = (+s).bounding_box
@@ -327,6 +345,12 @@ def test_zcylinder():
     assert s.x0 == x
     assert s.y0 == y
     assert s.r == r
+    
+    # Check radius must be positive
+    with pytest.raises(ValueError):
+        openmc.ZCylinder(x0=x, y0=y, r=0.0)
+    with pytest.raises(ValueError):
+        openmc.ZCylinder(x0=x, y0=y, r=-1.0)
 
     # Check bounding box
     ll, ur = (+s).bounding_box
@@ -365,6 +389,12 @@ def test_sphere():
     assert s.y0 == y
     assert s.z0 == z
     assert s.r == r
+    
+    # Check radius must be positive
+    with pytest.raises(ValueError):
+        openmc.Sphere(x0=x, y0=y, z0=z, r=0.0)
+    with pytest.raises(ValueError):
+        openmc.Sphere(x0=x, y0=y, z0=z, r=-1.0)
 
     # Check bounding box
     ll, ur = (+s).bounding_box
@@ -404,6 +434,12 @@ def cone_common(apex, r2, cls):
     assert s.y0 == y
     assert s.z0 == z
     assert s.r2 == r2
+    
+    # Check radius must be positive
+    with pytest.raises(ValueError):
+        cls(x0=x, y0=y, z0=z, r2=0.0)
+    with pytest.raises(ValueError):
+        cls(x0=x, y0=y, z0=z, r2=-1.0)
 
     # Check bounding box
     assert_infinite_bb(s)
@@ -442,6 +478,12 @@ def test_cone():
     assert s.dy == -1
     assert s.dz == 1
     assert s.r2 == 4
+    
+    # Check radius must be positive
+    with pytest.raises(ValueError):
+        openmc.Cone(x0=x0, y0=y0, z0=z0, dx=dx, dy=dy, dz=dz, r2=0.0)
+    with pytest.raises(ValueError):
+        openmc.Cone(x0=x0, y0=y0, z0=z0, dx=dx, dy=dy, dz=dz, r2=-1.0)   
 
     # Check bounding box
     assert_infinite_bb(s)
@@ -622,6 +664,13 @@ def torus_common(center, R, r1, r2, cls):
     assert s.a == R
     assert s.b == r1
     assert s.c == r2
+    
+    # Check radius must be positive
+    params = [(0.0, r1, r2), (R, 0.0, r2), (R, r1, 0.0), 
+              (-1.0, r1, r2), (R, -1.0, r2), (R, r1, -1.0)]
+    for a,b,c in params:
+        with pytest.raises(ValueError):
+            cls(x0=x, y0=y, z0=z, a=a, b=b, c=c)
 
     # evaluate method
     assert s.evaluate((x, y, z)) > 0.0

From 417343c9203c9337547d1eeeefb8a9fd0ec536fd Mon Sep 17 00:00:00 2001
From: Kevin Sawatzky <66632997+nuclearkevin@users.noreply.github.com>
Date: Thu, 19 Feb 2026 06:25:19 -0600
Subject: [PATCH 2534/2654] Implement S2 directional sampling in the random ray
 solver (#3811)

---
 include/openmc/constants.h                    |  2 +-
 include/openmc/random_ray/random_ray.h        |  1 +
 openmc/settings.py                            |  8 +-
 src/random_ray/random_ray.cpp                 | 26 ++++++
 src/random_ray/random_ray_simulation.cpp      | 15 +++-
 src/settings.cpp                              |  2 +
 .../random_ray_s2/__init__.py                 |  0
 .../random_ray_s2/inputs_true.dat             | 69 ++++++++++++++++
 .../random_ray_s2/results_true.dat            | 21 +++++
 tests/regression_tests/random_ray_s2/test.py  | 82 +++++++++++++++++++
 10 files changed, 220 insertions(+), 6 deletions(-)
 create mode 100644 tests/regression_tests/random_ray_s2/__init__.py
 create mode 100644 tests/regression_tests/random_ray_s2/inputs_true.dat
 create mode 100644 tests/regression_tests/random_ray_s2/results_true.dat
 create mode 100644 tests/regression_tests/random_ray_s2/test.py

diff --git a/include/openmc/constants.h b/include/openmc/constants.h
index 38238598e..e62b2941c 100644
--- a/include/openmc/constants.h
+++ b/include/openmc/constants.h
@@ -366,7 +366,7 @@ enum class SolverType { MONTE_CARLO, RANDOM_RAY };
 
 enum class RandomRayVolumeEstimator { NAIVE, SIMULATION_AVERAGED, HYBRID };
 enum class RandomRaySourceShape { FLAT, LINEAR, LINEAR_XY };
-enum class RandomRaySampleMethod { PRNG, HALTON };
+enum class RandomRaySampleMethod { PRNG, HALTON, S2 };
 
 //==============================================================================
 // Geometry Constants
diff --git a/include/openmc/random_ray/random_ray.h b/include/openmc/random_ray/random_ray.h
index 7fd68b83e..b61d2d67a 100644
--- a/include/openmc/random_ray/random_ray.h
+++ b/include/openmc/random_ray/random_ray.h
@@ -41,6 +41,7 @@ public:
   uint64_t transport_history_based_single_ray();
   SourceSite sample_prng();
   SourceSite sample_halton();
+  SourceSite sample_s2();
 
   //----------------------------------------------------------------------------
   // Static data members
diff --git a/openmc/settings.py b/openmc/settings.py
index 3cf662e31..2ad1d06e7 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -207,7 +207,11 @@ class Settings:
             default is 'False'.
         :sample_method:
             Sampling method for the ray starting location and direction of
-            travel. Options are `prng` (default) or 'halton`.
+            travel. Options are `prng` (default), `halton`, or `s2`. `s2`
+            modifies the `prng` sampling method such that rays are sampled
+            with directions (-1, 0, 0) or (1, 0, 0). This is used for verification
+            against analytic transport benchmarks which are often derivied with
+            a reduced angular domain.
         :source_region_meshes:
             List of tuples where each tuple contains a mesh and a list of
             domains. Each domain is an instance of openmc.Material, openmc.Cell,
@@ -1351,7 +1355,7 @@ class Settings:
                                 'openmc.Material, openmc.Cell, or openmc.Universe.')
             elif key == 'sample_method':
                 cv.check_value('sample method', value,
-                               ('prng', 'halton'))
+                               ('prng', 'halton', 's2'))
             elif key == 'diagonal_stabilization_rho':
                 cv.check_type('diagonal stabilization rho', value, Real)
                 cv.check_greater_than('diagonal stabilization rho',
diff --git a/src/random_ray/random_ray.cpp b/src/random_ray/random_ray.cpp
index 44e161a8e..821c5d1ba 100644
--- a/src/random_ray/random_ray.cpp
+++ b/src/random_ray/random_ray.cpp
@@ -792,6 +792,9 @@ void RandomRay::initialize_ray(uint64_t ray_id, FlatSourceDomain* domain)
   case RandomRaySampleMethod::HALTON:
     site = sample_halton();
     break;
+  case RandomRaySampleMethod::S2:
+    site = sample_s2();
+    break;
   default:
     fatal_error("Unknown sample method for random ray transport.");
   }
@@ -874,4 +877,27 @@ SourceSite RandomRay::sample_halton()
   return site;
 }
 
+SourceSite RandomRay::sample_s2()
+{
+  // set random number seed
+  int64_t particle_seed =
+    (simulation::current_batch - 1) * settings::n_particles + id();
+  init_particle_seeds(particle_seed, seeds());
+  stream() = STREAM_TRACKING;
+
+  // Get spatial component of the ray_source_
+  SpatialDistribution* space =
+    dynamic_cast<IndependentSource*>(RandomRay::ray_source_.get())->space();
+
+  SourceSite site;
+
+  // Sample spatial distribution
+  site.r = space->sample(current_seed()).first;
+
+  // Sample either left or right for S2 (flashlight) transport.
+  site.u = {prn(current_seed()) < 0.5 ? -1 : 1, 0.0, 0.0};
+
+  return site;
+}
+
 } // namespace openmc
diff --git a/src/random_ray/random_ray_simulation.cpp b/src/random_ray/random_ray_simulation.cpp
index 5970dc65a..80cbfc3fe 100644
--- a/src/random_ray/random_ray_simulation.cpp
+++ b/src/random_ray/random_ray_simulation.cpp
@@ -576,9 +576,18 @@ void RandomRaySimulation::print_results_random_ray(
       fatal_error("Invalid random ray source shape");
     }
     fmt::print(" Source Shape                      = {}\n", shape);
-    std::string sample_method =
-      (RandomRay::sample_method_ == RandomRaySampleMethod::PRNG) ? "PRNG"
-                                                                 : "Halton";
+    std::string sample_method;
+    switch (RandomRay::sample_method_) {
+    case RandomRaySampleMethod::PRNG:
+      sample_method = "PRNG";
+      break;
+    case RandomRaySampleMethod::HALTON:
+      sample_method = "Halton";
+      break;
+    case RandomRaySampleMethod::S2:
+      sample_method = "PRNG S2";
+      break;
+    }
     fmt::print(" Sample Method                     = {}\n", sample_method);
 
     if (domain_->is_transport_stabilization_needed_) {
diff --git a/src/settings.cpp b/src/settings.cpp
index 5b472468f..4b356d028 100644
--- a/src/settings.cpp
+++ b/src/settings.cpp
@@ -326,6 +326,8 @@ void get_run_parameters(pugi::xml_node node_base)
         RandomRay::sample_method_ = RandomRaySampleMethod::PRNG;
       } else if (temp_str == "halton") {
         RandomRay::sample_method_ = RandomRaySampleMethod::HALTON;
+      } else if (temp_str == "s2") {
+        RandomRay::sample_method_ = RandomRaySampleMethod::S2;
       } else {
         fatal_error("Unrecognized sample method: " + temp_str);
       }
diff --git a/tests/regression_tests/random_ray_s2/__init__.py b/tests/regression_tests/random_ray_s2/__init__.py
new file mode 100644
index 000000000..e69de29bb
diff --git a/tests/regression_tests/random_ray_s2/inputs_true.dat b/tests/regression_tests/random_ray_s2/inputs_true.dat
new file mode 100644
index 000000000..aad8ea28b
--- /dev/null
+++ b/tests/regression_tests/random_ray_s2/inputs_true.dat
@@ -0,0 +1,69 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <cross_sections>mgxs.h5</cross_sections>
+    <material id="1" name="domain">
+      <density value="1.0" units="macro"/>
+      <macroscopic name="domain"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="5 -6 1 -2 3 -4" universe="1"/>
+    <surface id="1" name="minimum y" type="y-plane" boundary="reflective" coeffs="-5.0"/>
+    <surface id="2" name="maximum y" type="y-plane" boundary="reflective" coeffs="5.0"/>
+    <surface id="3" name="minimum z" type="z-plane" boundary="reflective" coeffs="-5.0"/>
+    <surface id="4" name="maximum z" type="z-plane" boundary="reflective" coeffs="5.0"/>
+    <surface id="5" type="x-plane" boundary="vacuum" coeffs="0.0"/>
+    <surface id="6" type="x-plane" boundary="vacuum" coeffs="40.0"/>
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>100</particles>
+    <batches>30</batches>
+    <inactive>10</inactive>
+    <source type="independent" strength="1.0" particle="neutron">
+      <space type="box">
+        <parameters>0.0 -5.0 -5.0 40.0 5.0 5.0</parameters>
+      </space>
+      <energy type="discrete">
+        <parameters>1000.0 1.0</parameters>
+      </energy>
+      <constraints>
+        <domain_type>material</domain_type>
+        <domain_ids>1</domain_ids>
+      </constraints>
+    </source>
+    <energy_mode>multi-group</energy_mode>
+    <random_ray>
+      <distance_inactive>100.0</distance_inactive>
+      <distance_active>400.0</distance_active>
+      <source type="independent" strength="1.0" particle="neutron">
+        <space type="box">
+          <parameters>0.0 -5.0 -5.0 40.0 5.0 5.0</parameters>
+        </space>
+      </source>
+      <source_shape>flat</source_shape>
+      <sample_method>s2</sample_method>
+      <source_region_meshes>
+        <mesh id="1">
+          <domain id="1" type="universe"/>
+        </mesh>
+      </source_region_meshes>
+    </random_ray>
+    <mesh id="1">
+      <dimension>10 1 1</dimension>
+      <lower_left>0.0 -5.0 -5.0</lower_left>
+      <upper_right>40.0 5.0 5.0</upper_right>
+    </mesh>
+  </settings>
+  <tallies>
+    <filter id="1" type="mesh">
+      <bins>1</bins>
+    </filter>
+    <tally id="1" name="LR">
+      <filters>1</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/random_ray_s2/results_true.dat b/tests/regression_tests/random_ray_s2/results_true.dat
new file mode 100644
index 000000000..5fb6f7904
--- /dev/null
+++ b/tests/regression_tests/random_ray_s2/results_true.dat
@@ -0,0 +1,21 @@
+tally 1:
+1.153280E+01
+6.650271E+00
+1.413926E+01
+9.995935E+00
+1.579543E+01
+1.247479E+01
+1.676986E+01
+1.406141E+01
+1.722054E+01
+1.482734E+01
+1.722054E+01
+1.482734E+01
+1.676986E+01
+1.406141E+01
+1.579543E+01
+1.247479E+01
+1.413926E+01
+9.995935E+00
+1.153280E+01
+6.650271E+00
diff --git a/tests/regression_tests/random_ray_s2/test.py b/tests/regression_tests/random_ray_s2/test.py
new file mode 100644
index 000000000..712d9c124
--- /dev/null
+++ b/tests/regression_tests/random_ray_s2/test.py
@@ -0,0 +1,82 @@
+import os
+
+import openmc
+import openmc.model
+import numpy as np
+
+from tests.testing_harness import TolerantPyAPITestHarness
+
+
+class MGXSTestHarness(TolerantPyAPITestHarness):
+    def _cleanup(self):
+        super()._cleanup()
+        f = 'mgxs.h5'
+        if os.path.exists(f):
+            os.remove(f)
+
+
+def test_random_ray_s2():
+    NUM_SOURCE_REGIONS = 10
+    L = 40.0
+
+    # Make the simple MGXS library and material.
+    groups = openmc.mgxs.EnergyGroups(group_edges=[1e-5, 20.0e6])
+
+    domain_mat_data = openmc.XSdata('domain', groups)
+    domain_mat_data.order = 0
+    domain_mat_data.set_total([0.1])
+    domain_mat_data.set_absorption([0.1])
+    domain_mat_data.set_scatter_matrix(np.rollaxis(np.array([[[0.0]]]), 0, 3))
+    mg_cross_sections_file = openmc.MGXSLibrary(groups)
+    mg_cross_sections_file.add_xsdatas([domain_mat_data])
+    mg_cross_sections_file.export_to_hdf5()
+
+    domain_data = openmc.Macroscopic('domain')
+    domain_mat = openmc.Material(name='domain')
+    domain_mat.set_density('macro', 1.0)
+    domain_mat.add_macroscopic(domain_data)
+
+    container = openmc.model.RectangularPrism(width=10.0, height=10.0, axis='x',
+                                              origin=(0.0, 0.0), boundary_type='reflective')
+    left = openmc.XPlane(x0 = 0.0, boundary_type='vacuum')
+    right = openmc.XPlane(x0 = L, boundary_type='vacuum')
+    cell = [openmc.Cell(region = +left & -right & -container, fill = domain_mat)]
+
+    model = openmc.model.Model()
+    model.geometry = openmc.Geometry(root=openmc.Universe(cells=cell))
+    model.materials = openmc.Materials([domain_mat])
+    model.materials.cross_sections = './mgxs.h5'
+
+    mesh = openmc.RegularMesh()
+    mesh.dimension = (NUM_SOURCE_REGIONS, 1, 1)
+    mesh.lower_left = (0.0, -5.0, -5.0)
+    mesh.upper_right = (L, 5.0, 5.0)
+
+    tally = openmc.Tally(name="LR")
+    tally.filters = [openmc.MeshFilter(mesh)]
+    tally.scores = ['flux']
+    tally.estimator = 'tracklength'
+    model.tallies.append(tally)
+
+    uniform_dist = openmc.stats.Box((0.0, -5.0, -5.0), (L, 5.0, 5.0))
+    model.settings.source = [
+      openmc.IndependentSource(space=uniform_dist,
+                              energy=openmc.stats.Discrete(x = 1e3, p = 1.0),
+                              constraints={'domains' : [domain_mat]})
+    ]
+    model.settings.energy_mode = "multi-group"
+    model.settings.batches = 30
+    model.settings.inactive = 10
+    model.settings.particles = 100
+    model.settings.run_mode = 'fixed source'
+    model.settings.random_ray['distance_inactive'] = 100.0
+    model.settings.random_ray['distance_active'] = 400.0
+    model.settings.random_ray['ray_source'] = openmc.IndependentSource(space=uniform_dist)
+    model.settings.random_ray['source_shape'] = 'flat'
+    model.settings.random_ray['sample_method'] = 's2'
+    model.settings.random_ray['source_region_meshes'] = [(mesh, [model.geometry.root_universe])]
+
+    model.export_to_model_xml()
+
+    harness = MGXSTestHarness('statepoint.30.h5', model)
+    harness.main()

From efefdb17b1a0d0856278e10761683cae8694bc35 Mon Sep 17 00:00:00 2001
From: Kevin Sawatzky <66632997+nuclearkevin@users.noreply.github.com>
Date: Thu, 19 Feb 2026 11:03:19 -0600
Subject: [PATCH 2535/2654] Add more operator overloads in the new Tensor class
 (#3822)

---
 include/openmc/tensor.h              | 25 +++++++++++++++++++++++++
 tests/cpp_unit_tests/test_tensor.cpp | 23 ++++++++++++++++++++++-
 2 files changed, 47 insertions(+), 1 deletion(-)

diff --git a/include/openmc/tensor.h b/include/openmc/tensor.h
index 9d428aaeb..9e443e72f 100644
--- a/include/openmc/tensor.h
+++ b/include/openmc/tensor.h
@@ -762,6 +762,24 @@ public:
       data_[i] += o.data_[i];
     return *this;
   }
+  Tensor& operator-=(const Tensor& o)
+  {
+    for (size_t i = 0; i < data_.size(); ++i)
+      data_[i] -= o.data_[i];
+    return *this;
+  }
+  Tensor& operator*=(const Tensor& o)
+  {
+    for (size_t i = 0; i < data_.size(); ++i)
+      data_[i] *= o.data_[i];
+    return *this;
+  }
+  Tensor& operator/=(const Tensor& o)
+  {
+    for (size_t i = 0; i < data_.size(); ++i)
+      data_[i] /= o.data_[i];
+    return *this;
+  }
 
   Tensor operator+(const Tensor& o) const
   {
@@ -784,6 +802,13 @@ public:
       r.data_[i] = data_[i] / o.data_[i];
     return r;
   }
+  Tensor operator*(const Tensor& o) const
+  {
+    Tensor r(shape_);
+    for (size_t i = 0; i < data_.size(); ++i)
+      r.data_[i] = data_[i] * o.data_[i];
+    return r;
+  }
 
   Tensor operator+(T val) const
   {
diff --git a/tests/cpp_unit_tests/test_tensor.cpp b/tests/cpp_unit_tests/test_tensor.cpp
index 6eae1cea6..0936d866a 100644
--- a/tests/cpp_unit_tests/test_tensor.cpp
+++ b/tests/cpp_unit_tests/test_tensor.cpp
@@ -350,6 +350,9 @@ TEST_CASE("Tensor element-wise arithmetic")
 
   c = a / b;
   REQUIRE(c[0] == 0.25);
+
+  c = a * b;
+  REQUIRE(c[0] == 4.0);
 }
 
 TEST_CASE("Tensor scalar arithmetic")
@@ -378,7 +381,7 @@ TEST_CASE("Tensor scalar arithmetic")
   REQUIRE(b[0] == 11.0);
 }
 
-TEST_CASE("Tensor compound addition with tensor")
+TEST_CASE("Tensor compound arithmetic with tensor")
 {
   Tensor<double> a({3}, 0.0);
   Tensor<double> b({3}, 0.0);
@@ -388,6 +391,24 @@ TEST_CASE("Tensor compound addition with tensor")
   REQUIRE(a[0] == 11.0);
   REQUIRE(a[1] == 22.0);
   REQUIRE(a[2] == 33.0);
+
+  a = {1.0, 2.0, 3.0};
+  b -= a;
+  REQUIRE(b[0] == 9.0);
+  REQUIRE(b[1] == 18.0);
+  REQUIRE(b[2] == 27.0);
+
+  b = {10.0, 20.0, 30.0};
+  a *= b;
+  REQUIRE(a[0] == 10.0);
+  REQUIRE(a[1] == 40.0);
+  REQUIRE(a[2] == 90.0);
+
+  a = {1.0, 2.0, 3.0};
+  b /= a;
+  REQUIRE(b[0] == 10.0);
+  REQUIRE(b[1] == 10.0);
+  REQUIRE(b[2] == 10.0);
 }
 
 TEST_CASE("Tensor comparison operators")

From 53ce1910f9e72fed4d27ff47d50ced98827abc89 Mon Sep 17 00:00:00 2001
From: John Tramm <john.tramm@gmail.com>
Date: Thu, 19 Feb 2026 12:25:31 -0600
Subject: [PATCH 2536/2654] Fix S2 Random Ray Casting Issue (#3825)

---
 src/random_ray/random_ray.cpp | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/src/random_ray/random_ray.cpp b/src/random_ray/random_ray.cpp
index 821c5d1ba..dde5023e4 100644
--- a/src/random_ray/random_ray.cpp
+++ b/src/random_ray/random_ray.cpp
@@ -895,7 +895,7 @@ SourceSite RandomRay::sample_s2()
   site.r = space->sample(current_seed()).first;
 
   // Sample either left or right for S2 (flashlight) transport.
-  site.u = {prn(current_seed()) < 0.5 ? -1 : 1, 0.0, 0.0};
+  site.u = {prn(current_seed()) < 0.5 ? -1.0 : 1.0, 0.0, 0.0};
 
   return site;
 }

From 153281a490a55a814a7fbaae573080d447bc618e Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Sat, 21 Feb 2026 16:00:22 +0100
Subject: [PATCH 2537/2654] Remove unused class Tabulated2D (#3818)

---
 openmc/data/endf.py | 21 ---------------------
 1 file changed, 21 deletions(-)

diff --git a/openmc/data/endf.py b/openmc/data/endf.py
index 73ae210b6..e163ad4c2 100644
--- a/openmc/data/endf.py
+++ b/openmc/data/endf.py
@@ -225,24 +225,3 @@ class Evaluation:
                          self.target['mass_number'],
                          self.target['isomeric_state'])
 
-
-class Tabulated2D:
-    """Metadata for a two-dimensional function.
-
-    This is a dummy class that is not really used other than to store the
-    interpolation information for a two-dimensional function. Once we refactor
-    to adopt GNDS-like data containers, this will probably be removed or
-    extended.
-
-    Parameters
-    ----------
-    breakpoints : Iterable of int
-        Breakpoints for interpolation regions
-    interpolation : Iterable of int
-        Interpolation scheme identification number, e.g., 3 means y is linear in
-        ln(x).
-
-    """
-    def __init__(self, breakpoints, interpolation):
-        self.breakpoints = breakpoints
-        self.interpolation = interpolation

From 139907c955354e97f0a74f00e0a774ff52823818 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Sat, 21 Feb 2026 10:17:12 -0600
Subject: [PATCH 2538/2654] Implement tally filter for filtering by reaction
 (#3809)

---
 CMakeLists.txt                                |   1 +
 docs/source/pythonapi/base.rst                |   1 +
 docs/source/pythonapi/capi.rst                |   2 +
 docs/source/usersguide/tallies.rst            | 221 ++++++++++--------
 include/openmc/constants.h                    |   1 +
 include/openmc/endf.h                         |   7 +
 include/openmc/reaction.h                     |  16 +-
 include/openmc/tallies/filter.h               |   1 +
 include/openmc/tallies/filter_reaction.h      |  52 +++++
 openmc/data/reaction.py                       |  12 +
 openmc/filter.py                              |  83 ++++++-
 openmc/lib/filter.py                          |  17 +-
 src/chain.cpp                                 |   2 +-
 src/endf.cpp                                  |  77 ++++++
 src/reaction.cpp                              |  78 +++----
 src/settings.cpp                              |   2 +-
 src/tallies/filter.cpp                        |   3 +
 src/tallies/filter_reaction.cpp               |  79 +++++++
 src/tallies/tally.cpp                         |   8 +-
 .../filter_reaction/__init__.py               |   0
 .../filter_reaction/inputs_true.dat           |  27 +++
 .../filter_reaction/results_true.dat          |  13 ++
 .../regression_tests/filter_reaction/test.py  |  31 +++
 tests/unit_tests/test_filter_reaction.py      |  87 +++++++
 24 files changed, 661 insertions(+), 160 deletions(-)
 create mode 100644 include/openmc/tallies/filter_reaction.h
 create mode 100644 src/tallies/filter_reaction.cpp
 create mode 100644 tests/regression_tests/filter_reaction/__init__.py
 create mode 100644 tests/regression_tests/filter_reaction/inputs_true.dat
 create mode 100644 tests/regression_tests/filter_reaction/results_true.dat
 create mode 100644 tests/regression_tests/filter_reaction/test.py
 create mode 100644 tests/unit_tests/test_filter_reaction.py

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 5d6dd2a0e..5e6a64761 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -412,6 +412,7 @@ list(APPEND libopenmc_SOURCES
   src/tallies/filter_particle.cpp
   src/tallies/filter_particle_production.cpp
   src/tallies/filter_polar.cpp
+  src/tallies/filter_reaction.cpp
   src/tallies/filter_sph_harm.cpp
   src/tallies/filter_sptl_legendre.cpp
   src/tallies/filter_surface.cpp
diff --git a/docs/source/pythonapi/base.rst b/docs/source/pythonapi/base.rst
index 7bd03f379..b3911c8b3 100644
--- a/docs/source/pythonapi/base.rst
+++ b/docs/source/pythonapi/base.rst
@@ -149,6 +149,7 @@ Constructing Tallies
    openmc.ZernikeRadialFilter
    openmc.ParentNuclideFilter
    openmc.ParticleFilter
+   openmc.ReactionFilter
    openmc.MeshMaterialVolumes
    openmc.Trigger
    openmc.TallyDerivative
diff --git a/docs/source/pythonapi/capi.rst b/docs/source/pythonapi/capi.rst
index 465df14d8..dab45481d 100644
--- a/docs/source/pythonapi/capi.rst
+++ b/docs/source/pythonapi/capi.rst
@@ -82,7 +82,9 @@ Classes
    Nuclide
    ParentNuclideFilter
    ParticleFilter
+   ParticleProductionFilter
    PolarFilter
+   ReactionFilter
    RectilinearMesh
    RegularMesh
    SpatialLegendreFilter
diff --git a/docs/source/usersguide/tallies.rst b/docs/source/usersguide/tallies.rst
index e3b4e508b..5b5630556 100644
--- a/docs/source/usersguide/tallies.rst
+++ b/docs/source/usersguide/tallies.rst
@@ -105,109 +105,124 @@ The following tables show all valid scores:
 
 .. table:: **Reaction scores: units are reactions per source particle.**
 
-    +----------------------+---------------------------------------------------+
-    |Score                 | Description                                       |
-    +======================+===================================================+
-    |absorption            |Total absorption rate. For incident neutrons, this |
-    |                      |accounts for all reactions that do not produce     |
-    |                      |secondary neutrons as well as fission. For incident|
-    |                      |photons, this includes photoelectric and pair      |
-    |                      |production.                                        |
-    +----------------------+---------------------------------------------------+
-    |elastic               |Elastic scattering reaction rate.                  |
-    +----------------------+---------------------------------------------------+
-    |fission               |Total fission reaction rate.                       |
-    +----------------------+---------------------------------------------------+
-    |scatter               |Total scattering rate.                             |
-    +----------------------+---------------------------------------------------+
-    |total                 |Total reaction rate.                               |
-    +----------------------+---------------------------------------------------+
-    |(n,2nd)               |(n,2nd) reaction rate.                             |
-    +----------------------+---------------------------------------------------+
-    |(n,2n)                |(n,2n) reaction rate.                              |
-    +----------------------+---------------------------------------------------+
-    |(n,3n)                |(n,3n) reaction rate.                              |
-    +----------------------+---------------------------------------------------+
-    |(n,na)                |(n,n\ :math:`\alpha`\ ) reaction rate.             |
-    +----------------------+---------------------------------------------------+
-    |(n,n3a)               |(n,n3\ :math:`\alpha`\ ) reaction rate.            |
-    +----------------------+---------------------------------------------------+
-    |(n,2na)               |(n,2n\ :math:`\alpha`\ ) reaction rate.            |
-    +----------------------+---------------------------------------------------+
-    |(n,3na)               |(n,3n\ :math:`\alpha`\ ) reaction rate.            |
-    +----------------------+---------------------------------------------------+
-    |(n,np)                |(n,np) reaction rate.                              |
-    +----------------------+---------------------------------------------------+
-    |(n,n2a)               |(n,n2\ :math:`\alpha`\ ) reaction rate.            |
-    +----------------------+---------------------------------------------------+
-    |(n,2n2a)              |(n,2n2\ :math:`\alpha`\ ) reaction rate.           |
-    +----------------------+---------------------------------------------------+
-    |(n,nd)                |(n,nd) reaction rate.                              |
-    +----------------------+---------------------------------------------------+
-    |(n,nt)                |(n,nt) reaction rate.                              |
-    +----------------------+---------------------------------------------------+
-    |(n,n3He)              |(n,n\ :sup:`3`\ He) reaction rate.                 |
-    +----------------------+---------------------------------------------------+
-    |(n,nd2a)              |(n,nd2\ :math:`\alpha`\ ) reaction rate.           |
-    +----------------------+---------------------------------------------------+
-    |(n,nt2a)              |(n,nt2\ :math:`\alpha`\ ) reaction rate.           |
-    +----------------------+---------------------------------------------------+
-    |(n,4n)                |(n,4n) reaction rate.                              |
-    +----------------------+---------------------------------------------------+
-    |(n,2np)               |(n,2np) reaction rate.                             |
-    +----------------------+---------------------------------------------------+
-    |(n,3np)               |(n,3np) reaction rate.                             |
-    +----------------------+---------------------------------------------------+
-    |(n,n2p)               |(n,n2p) reaction rate.                             |
-    +----------------------+---------------------------------------------------+
-    |(n,n*X*)              |Level inelastic scattering reaction rate. The *X*  |
-    |                      |indicates what which inelastic level, e.g., (n,n3) |
-    |                      |is third-level inelastic scattering.               |
-    +----------------------+---------------------------------------------------+
-    |(n,nc)                |Continuum level inelastic scattering reaction rate.|
-    +----------------------+---------------------------------------------------+
-    |(n,gamma)             |Radiative capture reaction rate.                   |
-    +----------------------+---------------------------------------------------+
-    |(n,p)                 |(n,p) reaction rate.                               |
-    +----------------------+---------------------------------------------------+
-    |(n,d)                 |(n,d) reaction rate.                               |
-    +----------------------+---------------------------------------------------+
-    |(n,t)                 |(n,t) reaction rate.                               |
-    +----------------------+---------------------------------------------------+
-    |(n,3He)               |(n,\ :sup:`3`\ He) reaction rate.                  |
-    +----------------------+---------------------------------------------------+
-    |(n,a)                 |(n,\ :math:`\alpha`\ ) reaction rate.              |
-    +----------------------+---------------------------------------------------+
-    |(n,2a)                |(n,2\ :math:`\alpha`\ ) reaction rate.             |
-    +----------------------+---------------------------------------------------+
-    |(n,3a)                |(n,3\ :math:`\alpha`\ ) reaction rate.             |
-    +----------------------+---------------------------------------------------+
-    |(n,2p)                |(n,2p) reaction rate.                              |
-    +----------------------+---------------------------------------------------+
-    |(n,pa)                |(n,p\ :math:`\alpha`\ ) reaction rate.             |
-    +----------------------+---------------------------------------------------+
-    |(n,t2a)               |(n,t2\ :math:`\alpha`\ ) reaction rate.            |
-    +----------------------+---------------------------------------------------+
-    |(n,d2a)               |(n,d2\ :math:`\alpha`\ ) reaction rate.            |
-    +----------------------+---------------------------------------------------+
-    |(n,pd)                |(n,pd) reaction rate.                              |
-    +----------------------+---------------------------------------------------+
-    |(n,pt)                |(n,pt) reaction rate.                              |
-    +----------------------+---------------------------------------------------+
-    |(n,da)                |(n,d\ :math:`\alpha`\ ) reaction rate.             |
-    +----------------------+---------------------------------------------------+
-    |coherent-scatter      |Coherent (Rayleigh) scattering reaction rate.      |
-    +----------------------+---------------------------------------------------+
-    |incoherent-scatter    |Incoherent (Compton) scattering reaction rate.     |
-    +----------------------+---------------------------------------------------+
-    |photoelectric         |Photoelectric absorption reaction rate.            |
-    +----------------------+---------------------------------------------------+
-    |pair-production       |Pair production reaction rate.                     |
-    +----------------------+---------------------------------------------------+
-    |*Arbitrary integer*   |An arbitrary integer is interpreted to mean the    |
-    |                      |reaction rate for a reaction with a given ENDF MT  |
-    |                      |number.                                            |
-    +----------------------+---------------------------------------------------+
+    +------------------------+-------------------------------------------------+
+    |Score                   |Description                                      |
+    +========================+=================================================+
+    |absorption              |Total absorption rate. For incident neutrons,    |
+    |                        |this accounts for all reactions that do not      |
+    |                        |produce secondary neutrons as well as fission.   |
+    |                        |For incident photons, this includes              |
+    |                        |photoelectric and pair production.               |
+    +------------------------+-------------------------------------------------+
+    |elastic                 |Elastic scattering reaction rate.                |
+    +------------------------+-------------------------------------------------+
+    |fission                 |Total fission reaction rate.                     |
+    +------------------------+-------------------------------------------------+
+    |scatter                 |Total scattering rate.                           |
+    +------------------------+-------------------------------------------------+
+    |total                   |Total reaction rate.                             |
+    +------------------------+-------------------------------------------------+
+    |(n,2nd)                 |(n,2nd) reaction rate.                           |
+    +------------------------+-------------------------------------------------+
+    |(n,2n)                  |(n,2n) reaction rate.                            |
+    +------------------------+-------------------------------------------------+
+    |(n,3n)                  |(n,3n) reaction rate.                            |
+    +------------------------+-------------------------------------------------+
+    |(n,na)                  |(n,n\ :math:`\alpha`\ ) reaction rate.           |
+    +------------------------+-------------------------------------------------+
+    |(n,n3a)                 |(n,n3\ :math:`\alpha`\ ) reaction rate.          |
+    +------------------------+-------------------------------------------------+
+    |(n,2na)                 |(n,2n\ :math:`\alpha`\ ) reaction rate.          |
+    +------------------------+-------------------------------------------------+
+    |(n,3na)                 |(n,3n\ :math:`\alpha`\ ) reaction rate.          |
+    +------------------------+-------------------------------------------------+
+    |(n,np)                  |(n,np) reaction rate.                            |
+    +------------------------+-------------------------------------------------+
+    |(n,n2a)                 |(n,n2\ :math:`\alpha`\ ) reaction rate.          |
+    +------------------------+-------------------------------------------------+
+    |(n,2n2a)                |(n,2n2\ :math:`\alpha`\ ) reaction rate.         |
+    +------------------------+-------------------------------------------------+
+    |(n,nd)                  |(n,nd) reaction rate.                            |
+    +------------------------+-------------------------------------------------+
+    |(n,nt)                  |(n,nt) reaction rate.                            |
+    +------------------------+-------------------------------------------------+
+    |(n,n3He)                |(n,n\ :sup:`3`\ He) reaction rate.               |
+    +------------------------+-------------------------------------------------+
+    |(n,nd2a)                |(n,nd2\ :math:`\alpha`\ ) reaction rate.         |
+    +------------------------+-------------------------------------------------+
+    |(n,nt2a)                |(n,nt2\ :math:`\alpha`\ ) reaction rate.         |
+    +------------------------+-------------------------------------------------+
+    |(n,4n)                  |(n,4n) reaction rate.                            |
+    +------------------------+-------------------------------------------------+
+    |(n,2np)                 |(n,2np) reaction rate.                           |
+    +------------------------+-------------------------------------------------+
+    |(n,3np)                 |(n,3np) reaction rate.                           |
+    +------------------------+-------------------------------------------------+
+    |(n,n2p)                 |(n,n2p) reaction rate.                           |
+    +------------------------+-------------------------------------------------+
+    |(n,npa)                 |(n,np\ :math:`\alpha`\ ) reaction rate.          |
+    +------------------------+-------------------------------------------------+
+    |(n,n*X*)                |Level inelastic scattering reaction rate. The    |
+    |                        |*X* indicates which inelastic level, e.g.,       |
+    |                        |(n,n3) is third-level inelastic scattering.      |
+    +------------------------+-------------------------------------------------+
+    |(n,nc)                  |Continuum level inelastic scattering             |
+    |                        |reaction rate.                                   |
+    +------------------------+-------------------------------------------------+
+    |(n,gamma)               |Radiative capture reaction rate.                 |
+    +------------------------+-------------------------------------------------+
+    |(n,p)                   |(n,p) reaction rate.                             |
+    +------------------------+-------------------------------------------------+
+    |(n,d)                   |(n,d) reaction rate.                             |
+    +------------------------+-------------------------------------------------+
+    |(n,t)                   |(n,t) reaction rate.                             |
+    +------------------------+-------------------------------------------------+
+    |(n,3He)                 |(n,\ :sup:`3`\ He) reaction rate.                |
+    +------------------------+-------------------------------------------------+
+    |(n,a)                   |(n,\ :math:`\alpha`\ ) reaction rate.            |
+    +------------------------+-------------------------------------------------+
+    |(n,2a)                  |(n,2\ :math:`\alpha`\ ) reaction rate.           |
+    +------------------------+-------------------------------------------------+
+    |(n,3a)                  |(n,3\ :math:`\alpha`\ ) reaction rate.           |
+    +------------------------+-------------------------------------------------+
+    |(n,2p)                  |(n,2p) reaction rate.                            |
+    +------------------------+-------------------------------------------------+
+    |(n,pa)                  |(n,p\ :math:`\alpha`\ ) reaction rate.           |
+    +------------------------+-------------------------------------------------+
+    |(n,t2a)                 |(n,t2\ :math:`\alpha`\ ) reaction rate.          |
+    +------------------------+-------------------------------------------------+
+    |(n,d2a)                 |(n,d2\ :math:`\alpha`\ ) reaction rate.          |
+    +------------------------+-------------------------------------------------+
+    |(n,pd)                  |(n,pd) reaction rate.                            |
+    +------------------------+-------------------------------------------------+
+    |(n,pt)                  |(n,pt) reaction rate.                            |
+    +------------------------+-------------------------------------------------+
+    |(n,da)                  |(n,d\ :math:`\alpha`\ ) reaction rate.           |
+    +------------------------+-------------------------------------------------+
+    |photon-total            |Total photo-atomic reaction rate.                |
+    +------------------------+-------------------------------------------------+
+    |coherent-scatter        |Coherent (Rayleigh) scattering reaction rate.    |
+    +------------------------+-------------------------------------------------+
+    |incoherent-scatter      |Incoherent (Compton) scattering reaction rate.   |
+    +------------------------+-------------------------------------------------+
+    |photoelectric           |Photoelectric absorption reaction rate.          |
+    +------------------------+-------------------------------------------------+
+    |photoelectric-*S*       |Subshell photoelectric absorption rate for the   |
+    |                        |*S* shell. For example, "photoelectric-N3" is the|
+    |                        |rate for the N3 subshell.                        |
+    +------------------------+-------------------------------------------------+
+    |pair-production         |Pair production reaction rate (total).           |
+    +------------------------+-------------------------------------------------+
+    |pair-production-electron|Pair production reaction rate in the electron    |
+    |                        |field.                                           |
+    +------------------------+-------------------------------------------------+
+    |pair-production-nuclear |Pair production reaction rate in the nuclear     |
+    |                        |field.                                           |
+    +------------------------+-------------------------------------------------+
+    |*Arbitrary integer*     |An arbitrary integer is interpreted to mean the  |
+    |                        |reaction rate for a reaction with a given ENDF   |
+    |                        |MT number.                                       |
+    +------------------------+-------------------------------------------------+
 
 .. table:: **Particle production scores: units are particles produced per
            source particles.**
diff --git a/include/openmc/constants.h b/include/openmc/constants.h
index e62b2941c..0b425a673 100644
--- a/include/openmc/constants.h
+++ b/include/openmc/constants.h
@@ -227,6 +227,7 @@ enum ReactionType {
   N_XA = 207,
   HEATING = 301,
   DAMAGE_ENERGY = 444,
+  PHOTON_TOTAL = 501,
   COHERENT = 502,
   INCOHERENT = 504,
   PAIR_PROD_ELEC = 515,
diff --git a/include/openmc/endf.h b/include/openmc/endf.h
index 4a737eb88..34fee9758 100644
--- a/include/openmc/endf.h
+++ b/include/openmc/endf.h
@@ -33,6 +33,13 @@ bool is_disappearance(int MT);
 //! \return Whether corresponding reaction is an inelastic scattering reaction
 bool is_inelastic_scatter(int MT);
 
+//! Determine whether an MT number matches a target MT, considering that the
+//! target may be a summation reaction.
+//! \param[in] event_mt MT number of the actual event
+//! \param[in] target_mt MT number to check against
+//! \return Whether event_mt is a component of target_mt (or equal to it)
+bool mt_matches(int event_mt, int target_mt);
+
 //==============================================================================
 //! Abstract one-dimensional function
 //==============================================================================
diff --git a/include/openmc/reaction.h b/include/openmc/reaction.h
index 3314d1866..e95db1665 100644
--- a/include/openmc/reaction.h
+++ b/include/openmc/reaction.h
@@ -76,11 +76,21 @@ public:
 //! \return Name of the corresponding reaction
 std::string reaction_name(int mt);
 
-//! Return reaction type (MT value) given a reaction name
+//! Return MT value for given a reaction name (including special tally MT
+//! values)
 //
 //! \param[in] name  Reaction name
-//! \return Corresponding reaction type (MT value)
-int reaction_type(std::string name);
+//! \return Corresponding MT number or special tally score
+int reaction_tally_mt(std::string name);
+
+//! Return ENDF MT number given a reaction name
+//
+//! Unlike reaction_tally_mt(), this function always returns a positive ENDF MT
+//! number and never a special negative tally score.
+//!
+//! \param[in] name  Reaction name
+//! \return Corresponding ENDF MT number
+int reaction_mt(const std::string& name);
 
 } // namespace openmc
 
diff --git a/include/openmc/tallies/filter.h b/include/openmc/tallies/filter.h
index 0fef97e50..77b0d9f42 100644
--- a/include/openmc/tallies/filter.h
+++ b/include/openmc/tallies/filter.h
@@ -41,6 +41,7 @@ enum class FilterType {
   PARTICLE,
   PARTICLE_PRODUCTION,
   POLAR,
+  REACTION,
   SPHERICAL_HARMONICS,
   SPATIAL_LEGENDRE,
   SURFACE,
diff --git a/include/openmc/tallies/filter_reaction.h b/include/openmc/tallies/filter_reaction.h
new file mode 100644
index 000000000..015729eef
--- /dev/null
+++ b/include/openmc/tallies/filter_reaction.h
@@ -0,0 +1,52 @@
+#ifndef OPENMC_TALLIES_FILTER_REACTION_H
+#define OPENMC_TALLIES_FILTER_REACTION_H
+
+#include "openmc/span.h"
+#include "openmc/tallies/filter.h"
+#include "openmc/vector.h"
+
+namespace openmc {
+
+//==============================================================================
+//! Bins tally events based on the reaction type (MT number).
+//==============================================================================
+
+class ReactionFilter : public Filter {
+public:
+  //----------------------------------------------------------------------------
+  // Constructors, destructors
+
+  ~ReactionFilter() = default;
+
+  //----------------------------------------------------------------------------
+  // Methods
+
+  std::string type_str() const override { return "reaction"; }
+  FilterType type() const override { return FilterType::REACTION; }
+
+  void from_xml(pugi::xml_node node) override;
+
+  void get_all_bins(const Particle& p, TallyEstimator estimator,
+    FilterMatch& match) const override;
+
+  void to_statepoint(hid_t filter_group) const override;
+
+  std::string text_label(int bin) const override;
+
+  //----------------------------------------------------------------------------
+  // Accessors
+
+  const vector<int>& bins() const { return bins_; }
+  void set_bins(span<const int> bins);
+
+protected:
+  //----------------------------------------------------------------------------
+  // Data members
+
+  //! MT numbers to match
+  vector<int> bins_;
+};
+
+} // namespace openmc
+
+#endif // OPENMC_TALLIES_FILTER_REACTION_H
diff --git a/openmc/data/reaction.py b/openmc/data/reaction.py
index 65b59582c..ab1285b72 100644
--- a/openmc/data/reaction.py
+++ b/openmc/data/reaction.py
@@ -21,6 +21,7 @@ from .function import Tabulated1D, Polynomial
 from .kalbach_mann import KalbachMann
 from .laboratory import LaboratoryAngleEnergy
 from .nbody import NBodyPhaseSpace
+from .photon import _SUBSHELLS
 from .product import Product
 from .uncorrelated import UncorrelatedAngleEnergy
 
@@ -54,6 +55,10 @@ REACTION_NAME = {1: '(n,total)', 2: '(n,elastic)', 3: "(n,nonelastic)",
                  198: '(n,n3p)', 199: '(n,3n2pa)', 200: '(n,5n2p)', 203: '(n,Xp)',
                  204: '(n,Xd)', 205: '(n,Xt)', 206: '(n,X3He)', 207: '(n,Xa)',
                  301: 'heating', 444: 'damage-energy',
+                 501: 'photon-total', 502: 'coherent-scatter',
+                 504: 'incoherent-scatter', 515: 'pair-production-electron',
+                 516: 'pair-production', 517: 'pair-production-nuclear',
+                 522: 'photoelectric',
                  649: '(n,pc)', 699: '(n,dc)', 749: '(n,tc)', 799: '(n,3Hec)',
                  849: '(n,ac)', 891: '(n,2nc)', 901: 'heating-local'}
 REACTION_NAME.update({i: f'(n,n{i - 50})' for i in range(51, 91)})
@@ -63,9 +68,16 @@ REACTION_NAME.update({i: f'(n,t{i - 700})' for i in range(700, 749)})
 REACTION_NAME.update({i: f'(n,3He{i - 750})' for i in range(750, 799)})
 REACTION_NAME.update({i: f'(n,a{i - 800})' for i in range(800, 849)})
 REACTION_NAME.update({i: f'(n,2n{i - 875})' for i in range(875, 891)})
+REACTION_NAME.update(
+    {534 + i: f'photoelectric-{shell}' for i, shell in enumerate(_SUBSHELLS[1:])}
+)
 
 REACTION_MT = {name: mt for mt, name in REACTION_NAME.items()}
+REACTION_MT['total'] = 1
+REACTION_MT['elastic'] = 2
 REACTION_MT['fission'] = 18
+REACTION_MT['absorption'] = 27
+REACTION_MT['capture'] = 102
 
 FISSION_MTS = (18, 19, 20, 21, 38)
 
diff --git a/openmc/filter.py b/openmc/filter.py
index 9a2836e57..8fa2e7e62 100644
--- a/openmc/filter.py
+++ b/openmc/filter.py
@@ -13,6 +13,7 @@ import pandas as pd
 import openmc
 import openmc.checkvalue as cv
 from .cell import Cell
+from .data.reaction import REACTION_NAME, REACTION_MT
 from .material import Material
 from .mixin import IDManagerMixin
 from .surface import Surface
@@ -22,11 +23,11 @@ from ._xml import get_elem_list, get_text
 
 _FILTER_TYPES = (
     'universe', 'material', 'cell', 'cellborn', 'surface', 'mesh', 'energy',
-    'energyout', 'mu', 'musurface', 'polar', 'azimuthal', 'distribcell', 'delayedgroup',
-    'energyfunction', 'cellfrom', 'materialfrom', 'legendre', 'spatiallegendre',
-    'sphericalharmonics', 'zernike', 'zernikeradial', 'particle',
+    'energyout', 'mu', 'musurface', 'polar', 'azimuthal', 'distribcell',
+    'delayedgroup', 'energyfunction', 'cellfrom', 'materialfrom', 'legendre',
+    'spatiallegendre', 'sphericalharmonics', 'zernike', 'zernikeradial', 'particle',
     'particleproduction', 'cellinstance', 'collision', 'time', 'parentnuclide',
-    'weight', 'meshborn', 'meshsurface', 'meshmaterial',
+    'weight', 'meshborn', 'meshsurface', 'meshmaterial', 'reaction',
 )
 
 _CURRENT_NAMES = (
@@ -1415,6 +1416,80 @@ class CollisionFilter(Filter):
             cv.check_greater_than('filter value', x, 0, equality=True)
 
 
+class ReactionFilter(Filter):
+    """Bins tally events based on the reaction type (MT number).
+
+    .. versionadded:: 0.15.4
+
+    Parameters
+    ----------
+    bins : str, int, or iterable thereof
+        The reaction types to tally. Can be reaction name strings
+        (e.g., ``'(n,elastic)'``, ``'(n,gamma)'``) or integer MT numbers
+        (e.g., 2, 102). Integer MT values are automatically converted to their
+        canonical string representation.
+    filter_id : int
+        Unique identifier for the filter
+
+    Attributes
+    ----------
+    bins : numpy.ndarray of str
+        Reaction name strings
+    id : int
+        Unique identifier for the filter
+    num_bins : int
+        The number of filter bins
+
+    """
+
+    def __init__(self, bins, filter_id=None):
+        self.bins = bins
+        self.id = filter_id
+
+    @Filter.bins.setter
+    def bins(self, bins):
+        if isinstance(bins, (str, Integral)):
+            bins = [bins]
+        elif not isinstance(bins, list):
+            bins = list(bins)
+        normalized = []
+        for b in bins:
+            if isinstance(b, Integral):
+                if int(b) not in REACTION_NAME:
+                    raise ValueError(f"No known reaction for MT={b}")
+                normalized.append(REACTION_NAME[int(b)])
+            elif isinstance(b, str):
+                if b == 'total':
+                    warnings.warn(
+                        "The reaction name 'total' is ambiguous. Use "
+                        "'(n,total)' for neutron total cross section or "
+                        "'photon-total' for photon total. Interpreting as"
+                        "'(n,total)'.")
+                if b not in REACTION_MT:
+                    raise ValueError(f"Unknown reaction name '{b}'")
+                normalized.append(REACTION_NAME[REACTION_MT[b]])
+            else:
+                raise TypeError(f"Expected str or int for reaction filter "
+                                f"bin, got {type(b)}")
+        self._bins = np.array(normalized, dtype=str)
+
+    @classmethod
+    def from_hdf5(cls, group, **kwargs):
+        if group['type'][()].decode() != cls.short_name.lower():
+            raise ValueError("Expected HDF5 data for filter type '"
+                             + cls.short_name.lower() + "' but got '"
+                             + group['type'][()].decode() + "' instead")
+        bins = [b.decode() for b in group['bins'][()]]
+        filter_id = int(group.name.split('/')[-1].lstrip('filter '))
+        return cls(bins, filter_id=filter_id)
+
+    @classmethod
+    def from_xml_element(cls, elem, **kwargs):
+        filter_id = int(get_text(elem, "id"))
+        bins = get_elem_list(elem, "bins", str) or []
+        return cls(bins, filter_id=filter_id)
+
+
 class RealFilter(Filter):
     """Tally modifier that describes phase-space and other characteristics
 
diff --git a/openmc/lib/filter.py b/openmc/lib/filter.py
index dc81c3487..574a37443 100644
--- a/openmc/lib/filter.py
+++ b/openmc/lib/filter.py
@@ -22,9 +22,10 @@ __all__ = [
     'EnergyFilter', 'EnergyoutFilter', 'EnergyFunctionFilter', 'LegendreFilter',
     'MaterialFilter', 'MaterialFromFilter', 'MeshFilter', 'MeshBornFilter',
     'MeshMaterialFilter', 'MeshSurfaceFilter', 'MuFilter', 'MuSurfaceFilter',
-    'ParentNuclideFilter', 'ParticleFilter', 'PolarFilter', 'SphericalHarmonicsFilter',
-    'SpatialLegendreFilter', 'SurfaceFilter', 'TimeFilter', 'UniverseFilter',
-    'WeightFilter', 'ZernikeFilter', 'ZernikeRadialFilter', 'filters'
+    'ParentNuclideFilter', 'ParticleFilter', 'ParticleProductionFilter', 'PolarFilter',
+    'ReactionFilter', 'SphericalHarmonicsFilter', 'SpatialLegendreFilter',
+    'SurfaceFilter', 'TimeFilter', 'UniverseFilter', 'WeightFilter', 'ZernikeFilter',
+    'ZernikeRadialFilter', 'filters'
 ]
 
 # Tally functions
@@ -607,10 +608,18 @@ class ParticleFilter(Filter):
         return [ParticleType(i) for i in particle_i]
 
 
+class ParticleProductionFilter(Filter):
+    filter_type = 'particleproduction'
+
+
 class PolarFilter(Filter):
     filter_type = 'polar'
 
 
+class ReactionFilter(Filter):
+    filter_type = 'reaction'
+
+
 class SphericalHarmonicsFilter(Filter):
     filter_type = 'sphericalharmonics'
 
@@ -711,7 +720,9 @@ _FILTER_TYPE_MAP = {
     'musurface': MuSurfaceFilter,
     'parentnuclide': ParentNuclideFilter,
     'particle': ParticleFilter,
+    'particleproduction': ParticleProductionFilter,
     'polar': PolarFilter,
+    'reaction': ReactionFilter,
     'sphericalharmonics': SphericalHarmonicsFilter,
     'spatiallegendre': SpatialLegendreFilter,
     'surface': SurfaceFilter,
diff --git a/src/chain.cpp b/src/chain.cpp
index a60ef12cd..4214bc473 100644
--- a/src/chain.cpp
+++ b/src/chain.cpp
@@ -42,7 +42,7 @@ ChainNuclide::ChainNuclide(pugi::xml_node node)
       branching_ratio =
         std::stod(get_node_value(reaction_node, "branching_ratio"));
     }
-    int mt = reaction_type(rx_name);
+    int mt = reaction_mt(rx_name);
     reaction_products_[mt].push_back({rx_target, branching_ratio});
   }
 
diff --git a/src/endf.cpp b/src/endf.cpp
index b298ebe01..8a9c5e48a 100644
--- a/src/endf.cpp
+++ b/src/endf.cpp
@@ -87,6 +87,83 @@ bool is_inelastic_scatter(int mt)
   }
 }
 
+bool mt_matches(int event_mt, int target_mt)
+{
+  // Direct match
+  if (event_mt == target_mt)
+    return true;
+
+  // Check if event_mt is a component of target_mt summation reaction
+  switch (target_mt) {
+  case TOTAL_XS:
+    return event_mt == ELASTIC || mt_matches(event_mt, N_NONELASTIC);
+
+  case N_NONELASTIC: {
+    static constexpr int components[] = {4, 5, 11, 16, 17, 22, 23, 24, 25, 27,
+      28, 29, 30, 32, 33, 34, 35, 36, 37, 41, 42, 44, 45, 152, 153, 154, 156,
+      157, 158, 159, 160, 161, 162, 163, 164, 165, 166, 167, 168, 169, 170, 171,
+      172, 173, 174, 175, 176, 177, 178, 179, 180, 181, 183, 184, 185, 186, 187,
+      188, 189, 190, 194, 195, 196, 198, 199, 200};
+    for (int mt : components) {
+      if (mt_matches(event_mt, mt))
+        return true;
+    }
+    return false;
+  }
+
+  case N_LEVEL:
+    // Inelastic scattering levels
+    return event_mt >= 50 && event_mt <= N_NC;
+
+  case N_2N:
+    // (n,2n) to excited states
+    return event_mt >= N_2N0 && event_mt <= N_2NC;
+
+  case N_FISSION:
+    return is_fission(event_mt);
+
+  case 27:
+    return is_fission(event_mt) || is_disappearance(event_mt);
+
+  case N_DISAPPEAR: {
+    return is_disappearance(event_mt);
+  }
+
+  case N_P:
+    // (n,p) to excited states
+    return event_mt >= N_P0 && event_mt <= N_PC;
+
+  case N_D:
+    // (n,d) to excited states
+    return event_mt >= N_D0 && event_mt <= N_DC;
+
+  case N_T:
+    // (n,t) to excited states
+    return event_mt >= N_T0 && event_mt <= N_TC;
+
+  case N_3HE:
+    // (n,3He) to excited states
+    return event_mt >= N_3HE0 && event_mt <= N_3HEC;
+
+  case N_A:
+    // (n,alpha) to excited states
+    return event_mt >= N_A0 && event_mt <= N_AC;
+
+  case 501:
+    return event_mt == 502 || event_mt == 504 || mt_matches(event_mt, 516) ||
+           mt_matches(event_mt, 522);
+
+  case PAIR_PROD:
+    return event_mt == PAIR_PROD_ELEC || event_mt == PAIR_PROD_NUC;
+
+  case PHOTOELECTRIC:
+    return event_mt >= 534 && event_mt < 573;
+
+  default:
+    return false;
+  }
+}
+
 unique_ptr<Function1D> read_function(hid_t group, const char* name)
 {
   hid_t obj_id = open_object(group, name);
diff --git a/src/reaction.cpp b/src/reaction.cpp
index 9ac5a1f52..c02e0cc40 100644
--- a/src/reaction.cpp
+++ b/src/reaction.cpp
@@ -309,6 +309,7 @@ std::unordered_map<int, std::string> REACTION_NAME_MAP {
   {N_XA, "(n,Xa)"},
   {HEATING, "heating"},
   {DAMAGE_ENERGY, "damage-energy"},
+  {PHOTON_TOTAL, "photon-total"},
   {COHERENT, "coherent-scatter"},
   {INCOHERENT, "incoherent-scatter"},
   {PAIR_PROD_ELEC, "pair-production-electron"},
@@ -346,13 +347,24 @@ void initialize_maps()
   // Create photoelectric subshells
   for (int mt = 534; mt <= 572; ++mt) {
     REACTION_NAME_MAP[mt] =
-      fmt::format("photoelectric, {} subshell", SUBSHELLS[mt - 534]);
+      fmt::format("photoelectric-{}", SUBSHELLS[mt - 534]);
   }
 
   // Invert name map to create type map
   for (const auto& kv : REACTION_NAME_MAP) {
     REACTION_TYPE_MAP[kv.second] = kv.first;
   }
+
+  // Alternate names
+  REACTION_TYPE_MAP["elastic"] = ELASTIC;
+  REACTION_TYPE_MAP["n2n"] = N_2N;
+  REACTION_TYPE_MAP["n3n"] = N_3N;
+  REACTION_TYPE_MAP["n4n"] = N_4N;
+  REACTION_TYPE_MAP["H1-production"] = N_XP;
+  REACTION_TYPE_MAP["H2-production"] = N_XD;
+  REACTION_TYPE_MAP["H3-production"] = N_XT;
+  REACTION_TYPE_MAP["He3-production"] = N_X3HE;
+  REACTION_TYPE_MAP["He4-production"] = N_XA;
 }
 
 std::string reaction_name(int mt)
@@ -370,62 +382,42 @@ std::string reaction_name(int mt)
   }
 }
 
-int reaction_type(std::string name)
+int reaction_tally_mt(std::string name)
 {
-  // Initialize remainder of name map and all of type map
+  // All "total" scores should map to the special SCORE_TOTAL
+  if (name == "total" || name == "(n,total)" || name == "photon-total")
+    return SCORE_TOTAL;
+
+  // All fission scores should map to the special SCORE_FISSION
+  if (name == "fission" || name == "(n,fission)")
+    return SCORE_FISSION;
+
+  // Delegate everything else to reaction_mt()
+  return reaction_mt(name);
+}
+
+int reaction_mt(const std::string& name)
+{
+  // Initialize maps if needed
   if (REACTION_TYPE_MAP.empty())
     initialize_maps();
 
-  // (n,total) exists in REACTION_TYPE_MAP for MT=1, but we need this to return
-  // the special SCORE_TOTAL score
-  if (name == "(n,total)")
-    return SCORE_TOTAL;
-
-  // Check if type map has an entry for this reaction name
+  // Look up directly in type map (no score indirection)
   auto it = REACTION_TYPE_MAP.find(name);
   if (it != REACTION_TYPE_MAP.end()) {
-    return it->second;
+    int mt = it->second;
+    return mt;
   }
 
-  // Alternate names for several reactions
-  if (name == "elastic") {
-    return ELASTIC;
-  } else if (name == "n2n") {
-    return N_2N;
-  } else if (name == "n3n") {
-    return N_3N;
-  } else if (name == "n4n") {
-    return N_4N;
-  } else if (name == "H1-production") {
-    return N_XP;
-  } else if (name == "H2-production") {
-    return N_XD;
-  } else if (name == "H3-production") {
-    return N_XT;
-  } else if (name == "He3-production") {
-    return N_X3HE;
-  } else if (name == "He4-production") {
-    return N_XA;
-  }
-
-  // Assume the given string is a reaction MT number.  Make sure it's a natural
-  // number then return.
+  // Assume the given string is an MT number
   int MT = 0;
   try {
     MT = std::stoi(name);
   } catch (const std::invalid_argument& ex) {
-    throw std::invalid_argument(
-      "Invalid tally score \"" + name +
-      "\". See the docs "
-      "for details: "
-      "https://docs.openmc.org/en/stable/usersguide/tallies.html#scores");
+    throw std::invalid_argument("Unknown reaction name \"" + name + "\".");
   }
   if (MT < 1)
-    throw std::invalid_argument(
-      "Invalid tally score \"" + name +
-      "\". See the docs "
-      "for details: "
-      "https://docs.openmc.org/en/stable/usersguide/tallies.html#scores");
+    throw std::invalid_argument("Unknown reaction name \"" + name + "\".");
   return MT;
 }
 
diff --git a/src/settings.cpp b/src/settings.cpp
index 4b356d028..b6a9ab953 100644
--- a/src/settings.cpp
+++ b/src/settings.cpp
@@ -964,7 +964,7 @@ void read_settings_xml(pugi::xml_node root)
     if (check_for_node(node_ct, "reactions")) {
       auto temp = get_node_array<std::string>(node_ct, "reactions");
       for (const auto& b : temp) {
-        int reaction_int = reaction_type(b);
+        int reaction_int = reaction_mt(b);
         if (reaction_int > 0) {
           collision_track_config.mt_numbers.insert(reaction_int);
         }
diff --git a/src/tallies/filter.cpp b/src/tallies/filter.cpp
index b0e9624c9..badb91077 100644
--- a/src/tallies/filter.cpp
+++ b/src/tallies/filter.cpp
@@ -33,6 +33,7 @@
 #include "openmc/tallies/filter_particle.h"
 #include "openmc/tallies/filter_particle_production.h"
 #include "openmc/tallies/filter_polar.h"
+#include "openmc/tallies/filter_reaction.h"
 #include "openmc/tallies/filter_sph_harm.h"
 #include "openmc/tallies/filter_sptl_legendre.h"
 #include "openmc/tallies/filter_surface.h"
@@ -151,6 +152,8 @@ Filter* Filter::create(const std::string& type, int32_t id)
     return Filter::create<ParticleProductionFilter>(id);
   } else if (type == "polar") {
     return Filter::create<PolarFilter>(id);
+  } else if (type == "reaction") {
+    return Filter::create<ReactionFilter>(id);
   } else if (type == "surface") {
     return Filter::create<SurfaceFilter>(id);
   } else if (type == "spatiallegendre") {
diff --git a/src/tallies/filter_reaction.cpp b/src/tallies/filter_reaction.cpp
new file mode 100644
index 000000000..8ee9f3ce8
--- /dev/null
+++ b/src/tallies/filter_reaction.cpp
@@ -0,0 +1,79 @@
+#include "openmc/tallies/filter_reaction.h"
+
+#include <fmt/core.h>
+
+#include "openmc/capi.h"
+#include "openmc/endf.h"
+#include "openmc/error.h"
+#include "openmc/reaction.h"
+#include "openmc/xml_interface.h"
+
+namespace openmc {
+
+//==============================================================================
+// ReactionFilter implementation
+//==============================================================================
+
+void ReactionFilter::from_xml(pugi::xml_node node)
+{
+  // Read bins as reaction name strings
+  auto bins_str = get_node_array<std::string>(node, "bins");
+
+  // Convert reaction names to MT numbers
+  vector<int> bins_mt;
+  bins_mt.reserve(bins_str.size());
+  for (const auto& name : bins_str) {
+    bins_mt.push_back(reaction_mt(name));
+  }
+
+  this->set_bins(bins_mt);
+}
+
+void ReactionFilter::set_bins(span<const int> bins)
+{
+  // Clear existing bins
+  bins_.clear();
+  bins_.reserve(bins.size());
+
+  // Copy bins and build lookup map
+  for (int64_t i = 0; i < bins.size(); ++i) {
+    bins_.push_back(bins[i]);
+  }
+
+  n_bins_ = bins_.size();
+}
+
+void ReactionFilter::get_all_bins(
+  const Particle& p, TallyEstimator estimator, FilterMatch& match) const
+{
+  // Get the event MT number from the particle
+  int event_mt = p.event_mt();
+
+  // Check each bin, considering summation rules
+  for (int64_t i = 0; i < bins_.size(); ++i) {
+    if (mt_matches(event_mt, bins_[i])) {
+      match.bins_.push_back(i);
+      match.weights_.push_back(1.0);
+    }
+  }
+}
+
+void ReactionFilter::to_statepoint(hid_t filter_group) const
+{
+  Filter::to_statepoint(filter_group);
+
+  // Write bins as reaction name strings for human readability
+  vector<std::string> names;
+  names.reserve(bins_.size());
+  for (auto mt : bins_) {
+    names.push_back(reaction_name(mt));
+  }
+  write_dataset(filter_group, "bins", names);
+}
+
+std::string ReactionFilter::text_label(int bin) const
+{
+  return reaction_name(bins_[bin]);
+}
+
+} // namespace openmc
diff --git a/src/tallies/tally.cpp b/src/tallies/tally.cpp
index 296c3fb50..32566721f 100644
--- a/src/tallies/tally.cpp
+++ b/src/tallies/tally.cpp
@@ -171,6 +171,10 @@ Tally::Tally(pugi::xml_node node)
       estimator_ = TallyEstimator::COLLISION;
     } else if (filt_type == FilterType::PARTICLE_PRODUCTION) {
       estimator_ = TallyEstimator::ANALOG;
+    } else if (filt_type == FilterType::REACTION) {
+      if (estimator_ == TallyEstimator::TRACKLENGTH) {
+        estimator_ = TallyEstimator::COLLISION;
+      }
     }
   }
 
@@ -569,7 +573,7 @@ void Tally::set_scores(const vector<std::string>& scores)
     }
 
     // Determine integer code for score
-    int score = reaction_type(score_str);
+    int score = reaction_tally_mt(score_str);
 
     switch (score) {
     case SCORE_FLUX:
@@ -785,7 +789,7 @@ void Tally::init_triggers(pugi::xml_node node)
       } else {
         int i_score = 0;
         for (; i_score < this->scores_.size(); ++i_score) {
-          if (this->scores_[i_score] == reaction_type(score_str))
+          if (this->scores_[i_score] == reaction_tally_mt(score_str))
             break;
         }
         if (i_score == this->scores_.size()) {
diff --git a/tests/regression_tests/filter_reaction/__init__.py b/tests/regression_tests/filter_reaction/__init__.py
new file mode 100644
index 000000000..e69de29bb
diff --git a/tests/regression_tests/filter_reaction/inputs_true.dat b/tests/regression_tests/filter_reaction/inputs_true.dat
new file mode 100644
index 000000000..3ab9ab3fb
--- /dev/null
+++ b/tests/regression_tests/filter_reaction/inputs_true.dat
@@ -0,0 +1,27 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material id="1" depletable="true">
+      <density value="10.0" units="g/cm3"/>
+      <nuclide name="U235" ao="1.0"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="-1" universe="1"/>
+    <surface id="1" type="sphere" boundary="vacuum" coeffs="0.0 0.0 0.0 100.0"/>
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>1000</particles>
+    <batches>5</batches>
+  </settings>
+  <tallies>
+    <filter id="1" type="reaction">
+      <bins>(n,elastic) (n,2n) (n,fission) (n,gamma) (n,total)</bins>
+    </filter>
+    <tally id="1">
+      <filters>1</filters>
+      <scores>flux</scores>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/filter_reaction/results_true.dat b/tests/regression_tests/filter_reaction/results_true.dat
new file mode 100644
index 000000000..61ec1c65f
--- /dev/null
+++ b/tests/regression_tests/filter_reaction/results_true.dat
@@ -0,0 +1,13 @@
+k-combined:
+2.265297E+00 7.172807E-03
+tally 1:
+8.364316E+01
+1.400120E+03
+1.412312E-01
+4.277446E-03
+5.471503E+00
+7.015849E+00
+0.000000E+00
+0.000000E+00
+1.349840E+02
+3.644648E+03
diff --git a/tests/regression_tests/filter_reaction/test.py b/tests/regression_tests/filter_reaction/test.py
new file mode 100644
index 000000000..3c60fd517
--- /dev/null
+++ b/tests/regression_tests/filter_reaction/test.py
@@ -0,0 +1,31 @@
+import openmc
+
+from tests.testing_harness import PyAPITestHarness
+
+
+def test_filter_reaction():
+    model = openmc.Model()
+
+    m = openmc.Material()
+    m.set_density('g/cm3', 10.0)
+    m.add_nuclide('U235', 1.0)
+    model.materials.append(m)
+
+    s = openmc.Sphere(r=100.0, boundary_type='vacuum')
+    c = openmc.Cell(fill=m, region=-s)
+    model.geometry = openmc.Geometry([c])
+
+    # Create a tally with reaction filter
+    tally = openmc.Tally()
+    tally.filters = [openmc.ReactionFilter(
+        ['(n,elastic)', '(n,2n)', '(n,fission)', '(n,gamma)', 'total']
+    )]
+    tally.scores = ['flux']
+    model.tallies = openmc.Tallies([tally])
+
+    # Reduce particles for faster testing
+    model.settings.particles = 1000
+    model.settings.batches = 5
+
+    harness = PyAPITestHarness('statepoint.5.h5', model)
+    harness.main()
diff --git a/tests/unit_tests/test_filter_reaction.py b/tests/unit_tests/test_filter_reaction.py
new file mode 100644
index 000000000..df8fc9d7b
--- /dev/null
+++ b/tests/unit_tests/test_filter_reaction.py
@@ -0,0 +1,87 @@
+import pytest
+import openmc
+
+
+def test_reaction_filter_construction_with_strings():
+    f = openmc.ReactionFilter(['(n,elastic)', '(n,gamma)'])
+    assert len(f.bins) == 2
+    assert f.bins[0] == '(n,elastic)'
+    assert f.bins[1] == '(n,gamma)'
+
+
+def test_reaction_filter_construction_with_mt():
+    f = openmc.ReactionFilter([2, 102])
+    assert len(f.bins) == 2
+    assert f.bins[0] == '(n,elastic)'
+    assert f.bins[1] == '(n,gamma)'
+
+
+def test_reaction_filter_mixed():
+    f = openmc.ReactionFilter([2, '(n,gamma)'])
+    assert f.bins[0] == '(n,elastic)'
+    assert f.bins[1] == '(n,gamma)'
+
+
+def test_reaction_filter_single_bin_string():
+    f = openmc.ReactionFilter('(n,elastic)')
+    assert len(f.bins) == 1
+    assert f.bins[0] == '(n,elastic)'
+
+
+def test_reaction_filter_single_bin_mt():
+    f = openmc.ReactionFilter(2)
+    assert len(f.bins) == 1
+    assert f.bins[0] == '(n,elastic)'
+
+
+def test_reaction_filter_single_bin_naming():
+    f = openmc.ReactionFilter('total')
+    assert len(f.bins) == 1
+    assert f.bins[0] == '(n,total)'
+
+
+def test_reaction_filter_invalid_mt():
+    with pytest.raises(ValueError, match="No known reaction"):
+        openmc.ReactionFilter([999999])
+
+
+def test_reaction_filter_invalid_string():
+    with pytest.raises(ValueError, match="Unknown reaction name"):
+        openmc.ReactionFilter(['not-a-reaction'])
+
+
+def test_reaction_filter_invalid_type():
+    with pytest.raises(TypeError, match="Expected str or int"):
+        openmc.ReactionFilter([3.14])
+
+
+def test_reaction_filter_xml_roundtrip():
+    f = openmc.ReactionFilter([2, 102], filter_id=42)
+    elem = f.to_xml_element()
+    f2 = openmc.ReactionFilter.from_xml_element(elem)
+    assert f2.id == 42
+    assert len(f2.bins) == 2
+    assert f2.bins[0] == '(n,elastic)'
+    assert f2.bins[1] == '(n,gamma)'
+
+
+def test_reaction_filter_num_bins():
+    f = openmc.ReactionFilter(['(n,elastic)', '(n,fission)', '(n,gamma)'])
+    assert f.num_bins == 3
+
+
+def test_reaction_filter_repr():
+    f = openmc.ReactionFilter([2, 102])
+    r = repr(f)
+    assert 'ReactionFilter' in r
+
+
+def test_reaction_filter_short_name():
+    assert openmc.ReactionFilter.short_name == 'Reaction'
+
+
+def test_reaction_filter_total_warning():
+    """Test that using 'total' emits a warning about ambiguity."""
+    with pytest.warns(UserWarning, match="ambiguous"):
+        f = openmc.ReactionFilter(['total'])
+    assert f.bins[0] == '(n,total)'

From 83a30f6860c79fac8fd58584489cc0d1abcb0376 Mon Sep 17 00:00:00 2001
From: GuySten <62616591+GuySten@users.noreply.github.com>
Date: Sat, 21 Feb 2026 22:00:36 +0200
Subject: [PATCH 2539/2654] Support arbitrary symmetry axis for
 CylindricalIndependent class (#3474)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 docs/source/io_formats/settings.rst   |   9 +++
 docs/source/pythonapi/stats.rst       |   1 +
 include/openmc/distribution_spatial.h |  14 +++-
 openmc/stats/multivariate.py          | 101 ++++++++++++++++++++++--
 src/distribution_spatial.cpp          |  41 +++++++++-
 tests/unit_tests/test_source.py       |  15 ----
 tests/unit_tests/test_stats.py        | 107 ++++++++++++++++++++++++++
 7 files changed, 260 insertions(+), 28 deletions(-)

diff --git a/docs/source/io_formats/settings.rst b/docs/source/io_formats/settings.rst
index ed7c6273a..db72984a6 100644
--- a/docs/source/io_formats/settings.rst
+++ b/docs/source/io_formats/settings.rst
@@ -814,6 +814,7 @@ attributes/sub-elements:
 
       For a "cylindrical" distribution, no parameters are specified. Instead,
       the ``r``, ``phi``, ``z``, and ``origin`` elements must be specified.
+      Optionally, the ``r_dir`` and ``z_dir`` elements could be specified.
 
       For a "spherical" distribution, no parameters are specified. Instead,
       the ``r``, ``theta``, ``phi``, and ``origin`` elements must be specified.
@@ -845,6 +846,10 @@ attributes/sub-elements:
       of a univariate probability distribution (see the description in
       :ref:`univariate`).
 
+    :r_dir:
+      For "cylindrical" distributions, this element specifies the direction
+      of the cylinder r-axis at phi=0. Defaults to (1.0, 0.0, 0.0).
+
     :theta:
       For a "spherical" distribution, this element specifies the distribution
       of theta-coordinates. The necessary sub-elements/attributes are those of a
@@ -857,6 +862,10 @@ attributes/sub-elements:
       sub-elements/attributes are those of a univariate probability
       distribution (see the description in :ref:`univariate`).
 
+    :z_dir:
+      For "cylindrical" distributions, this element specifies the direction
+      of the cylinder z-axis. Defaults to (0.0, 0.0, 1.0).
+
     :origin:
       For "cylindrical and "spherical" distributions, this element specifies
       the coordinates for the origin of the coordinate system.
diff --git a/docs/source/pythonapi/stats.rst b/docs/source/pythonapi/stats.rst
index c8318ba86..e0ae74e39 100644
--- a/docs/source/pythonapi/stats.rst
+++ b/docs/source/pythonapi/stats.rst
@@ -67,3 +67,4 @@ Spatial Distributions
    :template: myfunction.rst
 
    openmc.stats.spherical_uniform
+   openmc.stats.cylindrical_uniform
diff --git a/include/openmc/distribution_spatial.h b/include/openmc/distribution_spatial.h
index 3e31b17a9..663cf5568 100644
--- a/include/openmc/distribution_spatial.h
+++ b/include/openmc/distribution_spatial.h
@@ -67,12 +67,18 @@ public:
   Distribution* phi() const { return phi_.get(); }
   Distribution* z() const { return z_.get(); }
   Position origin() const { return origin_; }
+  Direction r_dir() const { return r_dir_; }
+  Direction phi_dir() const { return phi_dir_; }
+  Direction z_dir() const { return z_dir_; }
 
 private:
-  UPtrDist r_;      //!< Distribution of r coordinates
-  UPtrDist phi_;    //!< Distribution of phi coordinates
-  UPtrDist z_;      //!< Distribution of z coordinates
-  Position origin_; //!< Cartesian coordinates of the cylinder center
+  UPtrDist r_;        //!< Distribution of r coordinates
+  UPtrDist phi_;      //!< Distribution of phi coordinates
+  UPtrDist z_;        //!< Distribution of z coordinates
+  Position origin_;   //!< Cartesian coordinates of the cylinder center
+  Direction r_dir_;   //!< Direction of r-axis at phi=0
+  Direction phi_dir_; //!< Direction of phi-axis at phi=0
+  Direction z_dir_;   //!< Direction of z-axis
 };
 
 //==============================================================================
diff --git a/openmc/stats/multivariate.py b/openmc/stats/multivariate.py
index 2057f4a49..d48697037 100644
--- a/openmc/stats/multivariate.py
+++ b/openmc/stats/multivariate.py
@@ -12,7 +12,7 @@ import openmc
 import openmc.checkvalue as cv
 from .._xml import get_elem_list, get_text
 from ..mesh import MeshBase
-from .univariate import PowerLaw, Uniform, Univariate
+from .univariate import PowerLaw, Uniform, Univariate, delta_function
 
 
 class UnitSphere(ABC):
@@ -610,6 +610,10 @@ class CylindricalIndependent(Spatial):
     origin: Iterable of float, optional
         coordinates (x0, y0, z0) of the center of the cylindrical reference
         frame. Defaults to (0.0, 0.0, 0.0)
+    r_dir : Iterable of float, optional
+        Unit vector of the cylinder r axis at phi=0.
+    z_dir : Iterable of float, optional
+        Unit vector of the cylinder z axis direction.
 
     Attributes
     ----------
@@ -623,14 +627,21 @@ class CylindricalIndependent(Spatial):
     origin: Iterable of float, optional
         coordinates (x0, y0, z0) of the center of the cylindrical reference
         frame. Defaults to (0.0, 0.0, 0.0)
+    r_dir : Iterable of float, optional
+        Unit vector of the cylinder r axis at phi=0.
+    z_dir : Iterable of float, optional
+        Unit vector of the cylinder z axis direction.
 
     """
 
-    def __init__(self, r, phi, z, origin=(0.0, 0.0, 0.0)):
+    def __init__(self, r, phi, z, origin=(0.0, 0.0, 0.0), r_dir=(1.0, 0.0, 0.0),
+                 z_dir=(0.0, 0.0, 1.0)):
         self.r = r
         self.phi = phi
         self.z = z
         self.origin = origin
+        self.z_dir = z_dir
+        self.r_dir = r_dir
 
     @property
     def r(self):
@@ -669,6 +680,33 @@ class CylindricalIndependent(Spatial):
         origin = np.asarray(origin)
         self._origin = origin
 
+    @property
+    def z_dir(self):
+        return self._z_dir
+
+    @z_dir.setter
+    def z_dir(self, z_dir):
+        cv.check_type('z-axis direction', z_dir, Iterable, Real)
+        z_dir = np.array(z_dir)
+        norm = np.linalg.norm(z_dir)
+        cv.check_greater_than('z-axis direction magnitude', norm, 0.0)
+        z_dir /= norm
+        self._z_dir = z_dir
+
+    @property
+    def r_dir(self):
+        return self._r_dir
+
+    @r_dir.setter
+    def r_dir(self, r_dir):
+        cv.check_type('r-axis direction', r_dir, Iterable, Real)
+        r_dir = np.array(r_dir)
+        r_dir -= np.dot(r_dir, self.z_dir) * self.z_dir
+        norm = np.linalg.norm(r_dir)
+        cv.check_greater_than('r-axis direction magnitude', norm, 0.0)
+        r_dir /= norm
+        self._r_dir = r_dir
+
     def to_xml_element(self):
         """Return XML representation of the spatial distribution
 
@@ -683,7 +721,12 @@ class CylindricalIndependent(Spatial):
         element.append(self.r.to_xml_element('r'))
         element.append(self.phi.to_xml_element('phi'))
         element.append(self.z.to_xml_element('z'))
-        element.set("origin", ' '.join(map(str, self.origin)))
+        if not np.allclose(self.origin, [0., 0., 0.]):
+            element.set("origin", ' '.join(map(str, self.origin)))
+        if not np.allclose(self.r_dir, [1., 0., 0.]):
+            element.set("r_dir", ' '.join(map(str, self.r_dir)))
+        if not np.allclose(self.z_dir, [0., 0., 1.]):
+            element.set("z_dir", ' '.join(map(str, self.z_dir)))
         return element
 
     @classmethod
@@ -704,8 +747,10 @@ class CylindricalIndependent(Spatial):
         r = Univariate.from_xml_element(elem.find('r'))
         phi = Univariate.from_xml_element(elem.find('phi'))
         z = Univariate.from_xml_element(elem.find('z'))
-        origin = get_elem_list(elem, "origin", float)
-        return cls(r, phi, z, origin=origin)
+        origin = get_elem_list(elem, "origin", float) or [0.0, 0.0, 0.0]
+        r_dir = get_elem_list(elem, "r_dir", float) or [1.0, 0.0, 0.0]
+        z_dir = get_elem_list(elem, "z_dir", float) or [0.0, 0.0, 1.0]
+        return cls(r, phi, z, origin=origin, r_dir=r_dir, z_dir=z_dir)
 
 
 class MeshSpatial(Spatial):
@@ -1219,3 +1264,49 @@ def spherical_uniform(
     phis_dist = Uniform(phis[0], phis[1])
 
     return SphericalIndependent(r_dist, cos_thetas_dist, phis_dist, origin)
+
+
+def cylindrical_uniform(
+    r_outer: float,
+    height: float,
+    r_inner: float = 0.0,
+    phis: Sequence[float] = (0., 2*pi),
+    **kwargs,
+):
+    """Return a uniform spatial distribution over a cylindrical shell.
+
+    This function provides a uniform spatial distribution over a cylindrical
+    shell between `r_inner` and `r_outer`. When `height` is zero, a delta
+    function is used for the z-distribution, giving a uniform distribution over
+    a flat ring (annulus) at z=0 in the local coordinate frame. Optionally, the
+    range of angles can be restricted by the `phis` argument.
+
+    .. versionadded:: 0.15.4
+
+    Parameters
+    ----------
+    r_outer : float
+        Outer radius of the cylindrical shell in [cm]
+    height : float
+        Height of the cylindrical shell in [cm]. When 0, the distribution is a
+        flat ring at z=0 in the local frame.
+    r_inner : float
+        Inner radius of the cylindrical shell in [cm]
+    phis : iterable of float
+        Starting and ending phi coordinates (azimuthal angle) in radians in a
+        reference frame centered at `origin`.
+    **kwargs
+        Keyword arguments passed directly to
+        :class:`~openmc.stats.CylindricalIndependent` (e.g., ``origin``,
+        ``r_dir``, ``z_dir``).
+
+    Returns
+    -------
+    openmc.stats.CylindricalIndependent
+        Uniform distribution over the cylindrical shell
+    """
+
+    r_dist = PowerLaw(r_inner, r_outer, 1)
+    phis_dist = Uniform(phis[0], phis[1])
+    z_dist = delta_function(0.0) if height == 0.0 else Uniform(-height/2, height/2)
+    return CylindricalIndependent(r_dist, phis_dist, z_dist, **kwargs)
diff --git a/src/distribution_spatial.cpp b/src/distribution_spatial.cpp
index e25e08d74..ba8658f10 100644
--- a/src/distribution_spatial.cpp
+++ b/src/distribution_spatial.cpp
@@ -141,6 +141,41 @@ CylindricalIndependent::CylindricalIndependent(pugi::xml_node node)
     // If no coordinates were specified, default to (0, 0, 0)
     origin_ = {0.0, 0.0, 0.0};
   }
+
+  // Read cylinder z_dir
+  if (check_for_node(node, "z_dir")) {
+    auto z_dir = get_node_array<double>(node, "z_dir");
+    if (z_dir.size() == 3) {
+      z_dir_ = z_dir;
+      z_dir_ /= z_dir_.norm();
+    } else {
+      fatal_error("z_dir for cylindrical source distribution must be length 3");
+    }
+  } else {
+    // If no z_dir was specified, default to (0, 0, 1)
+    z_dir_ = {0.0, 0.0, 1.0};
+  }
+
+  // Read cylinder r_dir
+  if (check_for_node(node, "r_dir")) {
+    auto r_dir = get_node_array<double>(node, "r_dir");
+    if (r_dir.size() == 3) {
+      r_dir_ = r_dir;
+      r_dir_ /= r_dir_.norm();
+    } else {
+      fatal_error("r_dir for cylindrical source distribution must be length 3");
+    }
+  } else {
+    // If no r_dir was specified, default to (1, 0, 0)
+    r_dir_ = {1.0, 0.0, 0.0};
+  }
+
+  if (r_dir_.dot(z_dir_) > 1e-12)
+    fatal_error("r_dir must be perpendicular to z_dir");
+
+  auto phi_dir = z_dir_.cross(r_dir_);
+  phi_dir /= phi_dir.norm();
+  phi_dir_ = phi_dir;
 }
 
 std::pair<Position, double> CylindricalIndependent::sample(uint64_t* seed) const
@@ -148,10 +183,8 @@ std::pair<Position, double> CylindricalIndependent::sample(uint64_t* seed) const
   auto [r, r_wgt] = r_->sample(seed);
   auto [phi, phi_wgt] = phi_->sample(seed);
   auto [z, z_wgt] = z_->sample(seed);
-  double x = r * cos(phi) + origin_.x;
-  double y = r * sin(phi) + origin_.y;
-  z += origin_.z;
-  Position xi {x, y, z};
+  Position xi =
+    r * (cos(phi) * r_dir_ + sin(phi) * phi_dir_) + z * z_dir_ + origin_;
   return {xi, r_wgt * phi_wgt * z_wgt};
 }
 
diff --git a/tests/unit_tests/test_source.py b/tests/unit_tests/test_source.py
index bb8a1b785..6eb03f388 100644
--- a/tests/unit_tests/test_source.py
+++ b/tests/unit_tests/test_source.py
@@ -35,21 +35,6 @@ def test_source():
     assert src.strength == 1.0
 
 
-def test_spherical_uniform():
-    r_outer = 2.0
-    r_inner = 1.0
-    thetas = (0.0, pi/2)
-    phis = (0.0, pi)
-    origin = (0.0, 1.0, 2.0)
-
-    sph_indep_function = openmc.stats.spherical_uniform(r_outer,
-                                                        r_inner,
-                                                        thetas,
-                                                        phis,
-                                                        origin)
-
-    assert isinstance(sph_indep_function, openmc.stats.SphericalIndependent)
-
 def test_point_cloud():
     positions = [(1, 0, 2), (0, 1, 0), (0, 0, 3), (4, 9, 2)]
     strengths = [1, 2, 3, 4]
diff --git a/tests/unit_tests/test_stats.py b/tests/unit_tests/test_stats.py
index b9d9c4e1f..71679024f 100644
--- a/tests/unit_tests/test_stats.py
+++ b/tests/unit_tests/test_stats.py
@@ -560,6 +560,113 @@ def test_point():
     assert d.xyz == pytest.approx(p)
 
 
+def test_spherical_uniform():
+    r_outer = 2.0
+    r_inner = 1.0
+    thetas = (0.0, pi/2)
+    phis = (0.0, pi)
+    origin = (0.0, 1.0, 2.0)
+
+    sph_indep_function = openmc.stats.spherical_uniform(r_outer,
+                                                        r_inner,
+                                                        thetas,
+                                                        phis,
+                                                        origin)
+
+    assert isinstance(sph_indep_function, openmc.stats.SphericalIndependent)
+
+
+def test_cylindrical_uniform():
+    r_outer = 2.0
+    r_inner = 1.0
+    height = 1.0
+    phis = (0.0, pi)
+    origin = (0.0, 1.0, 2.0)
+
+    dist = openmc.stats.cylindrical_uniform(r_outer, height, r_inner, phis,
+                                            origin=origin)
+
+    assert isinstance(dist, openmc.stats.CylindricalIndependent)
+
+    # Check r distribution (PowerLaw with exponent 1 for uniform area sampling)
+    assert isinstance(dist.r, openmc.stats.PowerLaw)
+    assert dist.r.a == pytest.approx(r_inner)
+    assert dist.r.b == pytest.approx(r_outer)
+    assert dist.r.n == pytest.approx(1.0)
+
+    # Check phi distribution
+    assert isinstance(dist.phi, openmc.stats.Uniform)
+    assert dist.phi.a == pytest.approx(phis[0])
+    assert dist.phi.b == pytest.approx(phis[1])
+
+    # Check z distribution (centered on origin along z_dir)
+    assert isinstance(dist.z, openmc.stats.Uniform)
+    assert dist.z.a == pytest.approx(-height / 2)
+    assert dist.z.b == pytest.approx(height / 2)
+
+    # Check origin and default directions
+    np.testing.assert_allclose(dist.origin, origin)
+    np.testing.assert_allclose(dist.r_dir, [1., 0., 0.])
+    np.testing.assert_allclose(dist.z_dir, [0., 0., 1.])
+
+    # XML round-trip preserves all parameters
+    elem = dist.to_xml_element()
+    dist2 = openmc.stats.CylindricalIndependent.from_xml_element(elem)
+    np.testing.assert_allclose(dist2.origin, origin)
+    np.testing.assert_allclose(dist2.r_dir, dist.r_dir)
+    np.testing.assert_allclose(dist2.z_dir, dist.z_dir)
+
+
+def test_cylindrical_uniform_tilted():
+    # Test with non-default axis orientation (y-axis as cylinder axis)
+    dist = openmc.stats.cylindrical_uniform(
+        r_outer=3.0, height=2.0, r_dir=(1., 0., 0.), z_dir=(0., 1., 0.)
+    )
+    np.testing.assert_allclose(dist.z_dir, [0., 1., 0.])
+    np.testing.assert_allclose(dist.r_dir, [1., 0., 0.])
+
+    # XML round-trip preserves tilted directions
+    elem = dist.to_xml_element()
+    dist2 = openmc.stats.CylindricalIndependent.from_xml_element(elem)
+    np.testing.assert_allclose(dist2.z_dir, dist.z_dir)
+    np.testing.assert_allclose(dist2.r_dir, dist.r_dir)
+
+
+def test_cylindrical_uniform_ring():
+    # height=0 should produce a flat ring (delta function at z=0)
+    r_outer = 2.0
+    r_inner = 1.0
+    phis = (0.0, pi)
+    origin = (0.0, 1.0, 2.0)
+
+    dist = openmc.stats.cylindrical_uniform(r_outer, 0.0, r_inner, phis,
+                                            origin=origin)
+
+    assert isinstance(dist, openmc.stats.CylindricalIndependent)
+
+    # Check r distribution
+    assert isinstance(dist.r, openmc.stats.PowerLaw)
+    assert dist.r.a == pytest.approx(r_inner)
+    assert dist.r.b == pytest.approx(r_outer)
+    assert dist.r.n == pytest.approx(1.0)
+
+    # Check phi distribution
+    assert isinstance(dist.phi, openmc.stats.Uniform)
+    assert dist.phi.a == pytest.approx(phis[0])
+    assert dist.phi.b == pytest.approx(phis[1])
+
+    # z distribution must be a delta function at 0.0 (local frame)
+    assert isinstance(dist.z, openmc.stats.Discrete)
+    assert dist.z.x[0] == pytest.approx(0.0)
+
+    # XML round-trip
+    elem = dist.to_xml_element()
+    dist2 = openmc.stats.CylindricalIndependent.from_xml_element(elem)
+    np.testing.assert_allclose(dist2.origin, origin)
+    np.testing.assert_allclose(dist2.r_dir, dist.r_dir)
+    np.testing.assert_allclose(dist2.z_dir, dist.z_dir)
+
+
 @pytest.mark.flaky(reruns=1)
 def test_normal():
     mean = 10.0

From 8c24c1c06435436709962fc344a768ab80db8269 Mon Sep 17 00:00:00 2001
From: Vitaly Mogulian <67088313+vitmog@users.noreply.github.com>
Date: Tue, 24 Feb 2026 10:46:21 +0400
Subject: [PATCH 2540/2654] Modify the plotter ray tracing for its utilization
 in estimators (#3816)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 include/openmc/plot.h |  4 ++++
 src/plot.cpp          | 27 ++++++++++++++++++++++++---
 2 files changed, 28 insertions(+), 3 deletions(-)

diff --git a/include/openmc/plot.h b/include/openmc/plot.h
index cd6be43b7..aa3739453 100644
--- a/include/openmc/plot.h
+++ b/include/openmc/plot.h
@@ -502,8 +502,12 @@ private:
 class Ray : public GeometryState {
 
 public:
+  // Initialize from location and direction
   Ray(Position r, Direction u) { init_from_r_u(r, u); }
 
+  // Initialize from known geometry state
+  Ray(const GeometryState& p) : GeometryState(p) {}
+
   // Called at every surface intersection within the model
   virtual void on_intersection() = 0;
 
diff --git a/src/plot.cpp b/src/plot.cpp
index ea0555202..5e3342dd6 100644
--- a/src/plot.cpp
+++ b/src/plot.cpp
@@ -1667,9 +1667,25 @@ void Ray::trace()
   // After phase one is done, we can starting tracing from cell to cell within
   // the model. This step can use neighbor lists to accelerate the ray tracing.
 
-  // Attempt to initialize the particle. We may have to enter a loop to move
-  // it up to the edge of the model.
-  bool inside_cell = exhaustive_find_cell(*this, settings::verbosity >= 10);
+  bool inside_cell;
+  // Check for location if the particle is already known
+  if (lowest_coord().cell() == C_NONE) {
+    // The geometry position of the particle is either unknown or outside of the
+    // edge of the model.
+    if (lowest_coord().universe() == C_NONE) {
+      // Attempt to initialize the particle. We may have to
+      // enter a loop to move it up to the edge of the model.
+      inside_cell = exhaustive_find_cell(*this, settings::verbosity >= 10);
+    } else {
+      // It has been already calculated that the current position is outside of
+      // the edge of the model.
+      inside_cell = false;
+    }
+  } else {
+    // Availability of the cell means that the particle is located inside the
+    // edge.
+    inside_cell = true;
+  }
 
   // Advance to the boundary of the model
   while (!inside_cell) {
@@ -1750,6 +1766,11 @@ void Ray::trace()
       coord(lev).r() += boundary().distance() * coord(lev).u();
     }
     surface() = boundary().surface();
+    // Initialize last cells from the current cell, because the cell() variable
+    // does not contain the data for the case of a single-segment ray
+    for (int j = 0; j < n_coord(); ++j) {
+      cell_last(j) = coord(j).cell();
+    }
     n_coord_last() = n_coord();
     n_coord() = boundary().coord_level();
     if (boundary().lattice_translation()[0] != 0 ||

From e130701f102ab9f87a7d1c40669fb3f4134bf53d Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 24 Feb 2026 01:35:23 -0600
Subject: [PATCH 2541/2654] Fix MeshFilter.get_pandas_dataframe to handle all
 mesh types (#3817)

---
 openmc/filter.py                              |  49 +-
 openmc/mesh.py                                |  33 +-
 openmc/mgxs/mdgxs.py                          |   4 +-
 openmc/mgxs/mgxs.py                           |   4 +-
 .../mgxs_library_condense/results_true.dat    | 656 +++++++++---------
 .../mgxs_library_mesh/results_true.dat        | 656 +++++++++---------
 tests/unit_tests/dagmc/test_lost_particles.py |   4 +
 tests/unit_tests/test_filter_mesh.py          | 125 ++++
 8 files changed, 834 insertions(+), 697 deletions(-)

diff --git a/openmc/filter.py b/openmc/filter.py
index 8fa2e7e62..87aeb70c3 100644
--- a/openmc/filter.py
+++ b/openmc/filter.py
@@ -972,53 +972,36 @@ class MeshFilter(Filter):
         Returns
         -------
         pandas.DataFrame
-            A Pandas DataFrame with three columns describing the x,y,z mesh
-            cell indices corresponding to each filter bin.  The number of rows
-            in the DataFrame is the same as the total number of bins in the
-            corresponding tally, with the filter bin appropriately tiled to map
-            to the corresponding tally bins.
+            A Pandas DataFrame with columns describing the mesh cell indices
+            corresponding to each filter bin. Column names depend on the mesh
+            type (e.g., x/y/z for RegularMesh, r/phi/z for CylindricalMesh,
+            r/theta/phi for SphericalMesh, or element index for
+            UnstructuredMesh). The number of rows in the DataFrame is the same
+            as the total number of bins in the corresponding tally, with the
+            filter bin appropriately tiled to map to the corresponding tally
+            bins.
 
         See also
         --------
         Tally.get_pandas_dataframe(), CrossFilter.get_pandas_dataframe()
 
         """
-        # Initialize Pandas DataFrame
-        df = pd.DataFrame()
-
         # Initialize dictionary to build Pandas Multi-index column
         filter_dict = {}
 
         # Append mesh ID as outermost index of multi-index
         mesh_key = f'mesh {self.mesh.id}'
 
-        # Find mesh dimensions - use 3D indices for simplicity
-        n_dim = len(self.mesh.dimension)
-        if n_dim == 3:
-            nx, ny, nz = self.mesh.dimension
-        elif n_dim == 2:
-            nx, ny = self.mesh.dimension
-            nz = 1
-        else:
-            nx = self.mesh.dimension
-            ny = nz = 1
+        # Determine index base (0-based for unstructured, 1-based otherwise)
+        idx_start = 0 if isinstance(self.mesh, openmc.UnstructuredMesh) else 1
 
-        # Generate multi-index sub-column for x-axis
-        filter_dict[mesh_key, 'x'] = _repeat_and_tile(
-            np.arange(1, nx + 1), stride, data_size)
+        # Generate a multi-index sub-column for each axis
+        for label, dim_size in zip(self.mesh._axis_labels, self.mesh.dimension):
+            filter_dict[mesh_key, label] = _repeat_and_tile(
+                np.arange(idx_start, idx_start + dim_size), stride, data_size)
+            stride *= dim_size
 
-        # Generate multi-index sub-column for y-axis
-        filter_dict[mesh_key, 'y'] = _repeat_and_tile(
-            np.arange(1, ny + 1), nx * stride, data_size)
-
-        # Generate multi-index sub-column for z-axis
-        filter_dict[mesh_key, 'z'] = _repeat_and_tile(
-            np.arange(1, nz + 1), nx * ny * stride, data_size)
-
-        # Initialize a Pandas DataFrame from the mesh dictionary
-        df = pd.concat([df, pd.DataFrame(filter_dict)])
-
-        return df
+        return pd.DataFrame(filter_dict)
 
     def to_xml_element(self):
         """Return XML Element representing the Filter.
diff --git a/openmc/mesh.py b/openmc/mesh.py
index efe1c20a1..946b90fbf 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -236,12 +236,12 @@ class MeshBase(IDManagerMixin, ABC):
             self._name = name
         else:
             self._name = ''
-            
+
     @property
     @abstractmethod
     def lower_left(self):
         pass
-        
+
     @property
     @abstractmethod
     def upper_right(self):
@@ -255,7 +255,7 @@ class MeshBase(IDManagerMixin, ABC):
     @abstractmethod
     def indices(self):
         pass
-        
+
     @property
     @abstractmethod
     def n_elements(self):
@@ -537,6 +537,11 @@ class StructuredMesh(MeshBase):
     def n_dimension(self):
         pass
 
+    @property
+    @abstractmethod
+    def _axis_labels(self):
+        pass
+
     @property
     @abstractmethod
     def _grids(self):
@@ -636,7 +641,7 @@ class StructuredMesh(MeshBase):
         s0 = (slice(0, -1),)*ndim + (slice(None),)
         s1 = (slice(1, None),)*ndim + (slice(None),)
         return (vertices[s0] + vertices[s1]) / 2
-    
+
     @property
     def n_elements(self):
         return np.prod(self.dimension)
@@ -995,6 +1000,10 @@ class RegularMesh(StructuredMesh):
         else:
             return None
 
+    @property
+    def _axis_labels(self):
+        return ('x', 'y', 'z')[:self.n_dimension]
+
     @property
     def lower_left(self):
         return self._lower_left
@@ -1475,6 +1484,10 @@ class RectilinearMesh(StructuredMesh):
     def n_dimension(self):
         return 3
 
+    @property
+    def _axis_labels(self):
+        return ('x', 'y', 'z')
+
     @property
     def x_grid(self):
         return self._x_grid
@@ -1709,6 +1722,10 @@ class CylindricalMesh(StructuredMesh):
     def n_dimension(self):
         return 3
 
+    @property
+    def _axis_labels(self):
+        return ('r', 'phi', 'z')
+
     @property
     def origin(self):
         return self._origin
@@ -2156,6 +2173,10 @@ class SphericalMesh(StructuredMesh):
     def n_dimension(self):
         return 3
 
+    @property
+    def _axis_labels(self):
+        return ('r', 'theta', 'phi')
+
     @property
     def origin(self):
         return self._origin
@@ -2671,6 +2692,10 @@ class UnstructuredMesh(MeshBase):
     def n_dimension(self):
         return 3
 
+    @property
+    def _axis_labels(self):
+        return ('element_index',)
+
     @property
     @require_statepoint_data
     def indices(self):
diff --git a/openmc/mgxs/mdgxs.py b/openmc/mgxs/mdgxs.py
index c12c1a9ab..57cc955ba 100644
--- a/openmc/mgxs/mdgxs.py
+++ b/openmc/mgxs/mdgxs.py
@@ -877,8 +877,8 @@ class MDGXS(MGXS):
         # energy groups such that data is from fast to thermal
         if self.domain_type == 'mesh':
             mesh_str = f'mesh {self.domain.id}'
-            df.sort_values(by=[(mesh_str, 'x'), (mesh_str, 'y'),
-                               (mesh_str, 'z')] + columns, inplace=True)
+            mesh_cols = [(mesh_str, label) for label in self.domain._axis_labels]
+            df.sort_values(by=mesh_cols + columns, inplace=True)
         else:
             df.sort_values(by=[self.domain_type] + columns, inplace=True)
 
diff --git a/openmc/mgxs/mgxs.py b/openmc/mgxs/mgxs.py
index 12b8f6a75..4c13c7508 100644
--- a/openmc/mgxs/mgxs.py
+++ b/openmc/mgxs/mgxs.py
@@ -2134,8 +2134,8 @@ class MGXS:
         # energy groups such that data is from fast to thermal
         if self.domain_type == 'mesh':
             mesh_str = f'mesh {self.domain.id}'
-            df.sort_values(by=[(mesh_str, 'x'), (mesh_str, 'y'),
-                               (mesh_str, 'z')] + columns, inplace=True)
+            mesh_cols = [(mesh_str, label) for label in self.domain._axis_labels]
+            df.sort_values(by=mesh_cols + columns, inplace=True)
         else:
             df.sort_values(by=[self.domain_type] + columns, inplace=True)
 
diff --git a/tests/regression_tests/mgxs_library_condense/results_true.dat b/tests/regression_tests/mgxs_library_condense/results_true.dat
index 98b30932c..023d5afa2 100644
--- a/tests/regression_tests/mgxs_library_condense/results_true.dat
+++ b/tests/regression_tests/mgxs_library_condense/results_true.dat
@@ -1,189 +1,189 @@
-  mesh 1       group in nuclide      mean std. dev.
-       x  y  z                                     
-0      1  1  1        1   total  0.702881  0.026175
-2      1  2  1        1   total  0.706921  0.029169
-1      2  1  1        1   total  0.707809  0.024766
-3      2  2  1        1   total  0.717967  0.024008
-  mesh 1       group in nuclide      mean std. dev.
-       x  y  z                                     
-0      1  1  1        1   total  0.431023  0.028803
-2      1  2  1        1   total  0.451864  0.030748
-1      2  1  1        1   total  0.456990  0.026359
-3      2  2  1        1   total  0.450621  0.026744
-  mesh 1       group in nuclide      mean std. dev.
-       x  y  z                                     
-0      1  1  1        1   total  0.431023  0.028803
-2      1  2  1        1   total  0.451864  0.030748
-1      2  1  1        1   total  0.456990  0.026359
-3      2  2  1        1   total  0.450621  0.026744
-  mesh 1       group in nuclide      mean std. dev.
-       x  y  z                                     
-0      1  1  1        1   total  0.022398  0.001401
-2      1  2  1        1   total  0.022325  0.001371
-1      2  1  1        1   total  0.022942  0.000990
-3      2  2  1        1   total  0.022705  0.001322
-  mesh 1       group in nuclide      mean std. dev.
-       x  y  z                                     
-0      1  1  1        1   total  0.022394  0.001401
-2      1  2  1        1   total  0.022321  0.001371
-1      2  1  1        1   total  0.022935  0.000990
-3      2  2  1        1   total  0.022699  0.001322
-  mesh 1       group in nuclide      mean std. dev.
-       x  y  z                                     
-0      1  1  1        1   total  0.011562  0.001544
-2      1  2  1        1   total  0.011852  0.001418
-1      2  1  1        1   total  0.012168  0.000958
-3      2  2  1        1   total  0.011986  0.001418
-  mesh 1       group in nuclide      mean std. dev.
-       x  y  z                                     
-0      1  1  1        1   total  0.010836  0.000803
-2      1  2  1        1   total  0.010473  0.000591
-1      2  1  1        1   total  0.010774  0.000415
-3      2  2  1        1   total  0.010719  0.000688
-  mesh 1       group in nuclide      mean std. dev.
-       x  y  z                                     
-0      1  1  1        1   total  0.026602  0.001957
-2      1  2  1        1   total  0.025695  0.001442
-1      2  1  1        1   total  0.026454  0.001015
-3      2  2  1        1   total  0.026310  0.001678
-  mesh 1       group in nuclide          mean      std. dev.
-       x  y  z                                              
-0      1  1  1        1   total  2.098256e+06  155243.612264
-2      1  2  1        1   total  2.027699e+06  114334.400924
-1      2  1  1        1   total  2.086255e+06   80325.567787
-3      2  2  1        1   total  2.075596e+06  133128.805680
-  mesh 1       group in nuclide      mean std. dev.
-       x  y  z                                     
-0      1  1  1        1   total  0.680483  0.025407
-2      1  2  1        1   total  0.684597  0.028126
-1      2  1  1        1   total  0.684867  0.024133
-3      2  2  1        1   total  0.695262  0.023087
-  mesh 1       group in nuclide      mean std. dev.
-       x  y  z                                     
-0      1  1  1        1   total  0.678017  0.026288
-2      1  2  1        1   total  0.674888  0.033989
-1      2  1  1        1   total  0.681736  0.025618
-3      2  2  1        1   total  0.683701  0.023788
-   mesh 1       group in group out legendre nuclide      mean std. dev.
-        x  y  z                                                        
-0       1  1  1        1         1       P0   total  0.678017  0.026290
-1       1  1  1        1         1       P1   total  0.271858  0.011693
-2       1  1  1        1         1       P2   total  0.095219  0.002950
-3       1  1  1        1         1       P3   total  0.012808  0.004686
-8       1  2  1        1         1       P0   total  0.674888  0.033578
-9       1  2  1        1         1       P1   total  0.255058  0.009912
-10      1  2  1        1         1       P2   total  0.098001  0.005459
-11      1  2  1        1         1       P3   total  0.012058  0.005439
-4       2  1  1        1         1       P0   total  0.681736  0.025439
-5       2  1  1        1         1       P1   total  0.250820  0.009035
-6       2  1  1        1         1       P2   total  0.092563  0.006549
-7       2  1  1        1         1       P3   total  0.008511  0.003905
-12      2  2  1        1         1       P0   total  0.683701  0.024254
-13      2  2  1        1         1       P1   total  0.267345  0.011695
-14      2  2  1        1         1       P2   total  0.096222  0.005551
-15      2  2  1        1         1       P3   total  0.011515  0.003236
-   mesh 1       group in group out legendre nuclide      mean std. dev.
-        x  y  z                                                        
-0       1  1  1        1         1       P0   total  0.678017  0.026290
-1       1  1  1        1         1       P1   total  0.271858  0.011693
-2       1  1  1        1         1       P2   total  0.095219  0.002950
-3       1  1  1        1         1       P3   total  0.012808  0.004686
-8       1  2  1        1         1       P0   total  0.674888  0.033578
-9       1  2  1        1         1       P1   total  0.255058  0.009912
-10      1  2  1        1         1       P2   total  0.098001  0.005459
-11      1  2  1        1         1       P3   total  0.012058  0.005439
-4       2  1  1        1         1       P0   total  0.681736  0.025439
-5       2  1  1        1         1       P1   total  0.250820  0.009035
-6       2  1  1        1         1       P2   total  0.092563  0.006549
-7       2  1  1        1         1       P3   total  0.008511  0.003905
-12      2  2  1        1         1       P0   total  0.683701  0.024254
-13      2  2  1        1         1       P1   total  0.267345  0.011695
-14      2  2  1        1         1       P2   total  0.096222  0.005551
-15      2  2  1        1         1       P3   total  0.011515  0.003236
-  mesh 1       group in group out nuclide mean std. dev.
-       x  y  z                                          
-0      1  1  1        1         1   total  1.0  0.041785
-2      1  2  1        1         1   total  1.0  0.057717
-1      2  1  1        1         1   total  1.0  0.040074
-3      2  2  1        1         1   total  1.0  0.042758
-  mesh 1       group in group out nuclide      mean std. dev.
-       x  y  z                                               
-0      1  1  1        1         1   total  0.028438  0.003513
-2      1  2  1        1         1   total  0.022222  0.001560
-1      2  1  1        1         1   total  0.025698  0.002756
-3      2  2  1        1         1   total  0.026501  0.002315
-  mesh 1       group in group out nuclide mean std. dev.
-       x  y  z                                          
-0      1  1  1        1         1   total  1.0  0.041785
-2      1  2  1        1         1   total  1.0  0.057717
-1      2  1  1        1         1   total  1.0  0.040074
-3      2  2  1        1         1   total  1.0  0.042758
-   mesh 1       group in group out legendre nuclide      mean std. dev.
-        x  y  z                                                        
-0       1  1  1        1         1       P0   total  0.680483  0.038131
-1       1  1  1        1         1       P1   total  0.272847  0.016111
-2       1  1  1        1         1       P2   total  0.095565  0.004869
-3       1  1  1        1         1       P3   total  0.012854  0.004731
-8       1  2  1        1         1       P0   total  0.684597  0.048501
-9       1  2  1        1         1       P1   total  0.258727  0.016473
-10      1  2  1        1         1       P2   total  0.099411  0.007470
-11      1  2  1        1         1       P3   total  0.012231  0.005552
-4       2  1  1        1         1       P0   total  0.684867  0.036546
-5       2  1  1        1         1       P1   total  0.251972  0.013220
-6       2  1  1        1         1       P2   total  0.092988  0.007474
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+   mesh 1    delayedgroup group in nuclide      mean std. dev.
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diff --git a/tests/regression_tests/mgxs_library_mesh/results_true.dat b/tests/regression_tests/mgxs_library_mesh/results_true.dat
index 16b86870d..ec7620c5c 100644
--- a/tests/regression_tests/mgxs_library_mesh/results_true.dat
+++ b/tests/regression_tests/mgxs_library_mesh/results_true.dat
@@ -1,189 +1,189 @@
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-  mesh 1       group in nuclide      mean std. dev.
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-  mesh 1       group in nuclide      mean std. dev.
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-  mesh 1       group in nuclide      mean std. dev.
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-  mesh 1       group in nuclide      mean std. dev.
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-1      2  1  1        1   total  2.309435e+06  105395.059055
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-  mesh 1       group in nuclide      mean std. dev.
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-   mesh 1       group in group out legendre nuclide      mean std. dev.
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-9       2  1  1            4   total  0.302780  0.017942
-10      2  1  1            5   total  0.849490  0.050338
-11      2  1  1            6   total  2.853000  0.169061
-18      2  2  1            1   total  0.013336  0.000757
-19      2  2  1            2   total  0.032739  0.001858
-20      2  2  1            3   total  0.120780  0.006855
-21      2  2  1            4   total  0.302780  0.017186
-22      2  2  1            5   total  0.849490  0.048217
-23      2  2  1            6   total  2.853000  0.161935
-   mesh 1       delayedgroup group in group out nuclide      mean std. dev.
-        x  y  z                                                            
-0       1  1  1            1        1         1   total  0.000026  0.000026
-1       1  1  1            2        1         1   total  0.000000  0.000000
-2       1  1  1            3        1         1   total  0.000000  0.000000
-3       1  1  1            4        1         1   total  0.000083  0.000034
-4       1  1  1            5        1         1   total  0.000000  0.000000
-5       1  1  1            6        1         1   total  0.000000  0.000000
-12      1  2  1            1        1         1   total  0.000000  0.000000
-13      1  2  1            2        1         1   total  0.000081  0.000033
-14      1  2  1            3        1         1   total  0.000026  0.000026
-15      1  2  1            4        1         1   total  0.000026  0.000026
-16      1  2  1            5        1         1   total  0.000059  0.000036
-17      1  2  1            6        1         1   total  0.000033  0.000033
-6       2  1  1            1        1         1   total  0.000000  0.000000
-7       2  1  1            2        1         1   total  0.000000  0.000000
-8       2  1  1            3        1         1   total  0.000032  0.000032
-9       2  1  1            4        1         1   total  0.000080  0.000033
-10      2  1  1            5        1         1   total  0.000028  0.000028
-11      2  1  1            6        1         1   total  0.000000  0.000000
-18      2  2  1            1        1         1   total  0.000054  0.000033
-19      2  2  1            2        1         1   total  0.000029  0.000029
-20      2  2  1            3        1         1   total  0.000000  0.000000
-21      2  2  1            4        1         1   total  0.000054  0.000033
-22      2  2  1            5        1         1   total  0.000032  0.000032
-23      2  2  1            6        1         1   total  0.000000  0.000000
+  mesh 1    group in nuclide      mean std. dev.
+       x  y                                     
+0      1  1        1   total  4.581283  0.329623
+2      1  2        1   total  4.452968  0.295762
+1      2  1        1   total  4.469295  0.239674
+3      2  2        1   total  4.570894  0.218416
+  mesh 1    group in nuclide      mean std. dev.
+       x  y                                     
+0      1  1        1   total  4.580746  0.329583
+2      1  2        1   total  4.452519  0.295716
+1      2  1        1   total  4.468066  0.239680
+3      2  2        1   total  4.573657  0.219069
+   mesh 1    delayedgroup group in nuclide      mean     std. dev.
+        x  y                                                      
+0       1  1            1        1   total  0.000007  3.812309e-07
+1       1  1            2        1   total  0.000036  1.967797e-06
+2       1  1            3        1   total  0.000034  1.878630e-06
+3       1  1            4        1   total  0.000077  4.212043e-06
+4       1  1            5        1   total  0.000031  1.726878e-06
+5       1  1            6        1   total  0.000013  7.233832e-07
+12      1  2            1        1   total  0.000007  3.663985e-07
+13      1  2            2        1   total  0.000035  1.891236e-06
+14      1  2            3        1   total  0.000034  1.805539e-06
+15      1  2            4        1   total  0.000076  4.048166e-06
+16      1  2            5        1   total  0.000031  1.659691e-06
+17      1  2            6        1   total  0.000013  6.952388e-07
+6       2  1            1        1   total  0.000007  3.123173e-07
+7       2  1            2        1   total  0.000035  1.612086e-06
+8       2  1            3        1   total  0.000034  1.539037e-06
+9       2  1            4        1   total  0.000076  3.450649e-06
+10      2  1            5        1   total  0.000031  1.414717e-06
+11      2  1            6        1   total  0.000013  5.926201e-07
+18      2  2            1        1   total  0.000007  2.946716e-07
+19      2  2            2        1   total  0.000036  1.521004e-06
+20      2  2            3        1   total  0.000034  1.452083e-06
+21      2  2            4        1   total  0.000076  3.255689e-06
+22      2  2            5        1   total  0.000031  1.334787e-06
+23      2  2            6        1   total  0.000013  5.591374e-07
+   mesh 1    delayedgroup group out nuclide mean std. dev.
+        x  y                                              
+0       1  1            1         1   total  1.0  1.414214
+1       1  1            2         1   total  0.0  0.000000
+2       1  1            3         1   total  0.0  0.000000
+3       1  1            4         1   total  1.0  0.578922
+4       1  1            5         1   total  0.0  0.000000
+5       1  1            6         1   total  0.0  0.000000
+12      1  2            1         1   total  0.0  0.000000
+13      1  2            2         1   total  1.0  0.578922
+14      1  2            3         1   total  1.0  1.414214
+15      1  2            4         1   total  1.0  1.414214
+16      1  2            5         1   total  1.0  0.875472
+17      1  2            6         1   total  1.0  1.414214
+6       2  1            1         1   total  0.0  0.000000
+7       2  1            2         1   total  0.0  0.000000
+8       2  1            3         1   total  1.0  1.414214
+9       2  1            4         1   total  1.0  0.579392
+10      2  1            5         1   total  1.0  1.414214
+11      2  1            6         1   total  0.0  0.000000
+18      2  2            1         1   total  1.0  0.868163
+19      2  2            2         1   total  1.0  1.414214
+20      2  2            3         1   total  0.0  0.000000
+21      2  2            4         1   total  1.0  0.868969
+22      2  2            5         1   total  1.0  1.414214
+23      2  2            6         1   total  0.0  0.000000
+   mesh 1    delayedgroup group in nuclide      mean std. dev.
+        x  y                                                  
+0       1  1            1        1   total  0.000221  0.000015
+1       1  1            2        1   total  0.001140  0.000079
+2       1  1            3        1   total  0.001088  0.000075
+3       1  1            4        1   total  0.002440  0.000169
+4       1  1            5        1   total  0.001001  0.000069
+5       1  1            6        1   total  0.000419  0.000029
+12      1  2            1        1   total  0.000221  0.000013
+13      1  2            2        1   total  0.001139  0.000066
+14      1  2            3        1   total  0.001088  0.000063
+15      1  2            4        1   total  0.002439  0.000142
+16      1  2            5        1   total  0.001000  0.000058
+17      1  2            6        1   total  0.000419  0.000024
+6       2  1            1        1   total  0.000220  0.000013
+7       2  1            2        1   total  0.001138  0.000067
+8       2  1            3        1   total  0.001086  0.000064
+9       2  1            4        1   total  0.002435  0.000144
+10      2  1            5        1   total  0.000998  0.000059
+11      2  1            6        1   total  0.000418  0.000025
+18      2  2            1        1   total  0.000221  0.000013
+19      2  2            2        1   total  0.001141  0.000066
+20      2  2            3        1   total  0.001090  0.000063
+21      2  2            4        1   total  0.002443  0.000141
+22      2  2            5        1   total  0.001002  0.000058
+23      2  2            6        1   total  0.000420  0.000024
+   mesh 1    delayedgroup nuclide      mean std. dev.
+        x  y                                         
+0       1  1            1   total  0.013336  0.000919
+1       1  1            2   total  0.032739  0.002257
+2       1  1            3   total  0.120780  0.008325
+3       1  1            4   total  0.302780  0.020871
+4       1  1            5   total  0.849490  0.058555
+5       1  1            6   total  2.853000  0.196656
+12      1  2            1   total  0.013336  0.000770
+13      1  2            2   total  0.032739  0.001891
+14      1  2            3   total  0.120780  0.006977
+15      1  2            4   total  0.302780  0.017490
+16      1  2            5   total  0.849490  0.049071
+17      1  2            6   total  2.853000  0.164804
+6       2  1            1   total  0.013336  0.000790
+7       2  1            2   total  0.032739  0.001940
+8       2  1            3   total  0.120780  0.007157
+9       2  1            4   total  0.302780  0.017942
+10      2  1            5   total  0.849490  0.050338
+11      2  1            6   total  2.853000  0.169061
+18      2  2            1   total  0.013336  0.000757
+19      2  2            2   total  0.032739  0.001858
+20      2  2            3   total  0.120780  0.006855
+21      2  2            4   total  0.302780  0.017186
+22      2  2            5   total  0.849490  0.048217
+23      2  2            6   total  2.853000  0.161935
+   mesh 1    delayedgroup group in group out nuclide      mean std. dev.
+        x  y                                                            
+0       1  1            1        1         1   total  0.000026  0.000026
+1       1  1            2        1         1   total  0.000000  0.000000
+2       1  1            3        1         1   total  0.000000  0.000000
+3       1  1            4        1         1   total  0.000083  0.000034
+4       1  1            5        1         1   total  0.000000  0.000000
+5       1  1            6        1         1   total  0.000000  0.000000
+12      1  2            1        1         1   total  0.000000  0.000000
+13      1  2            2        1         1   total  0.000081  0.000033
+14      1  2            3        1         1   total  0.000026  0.000026
+15      1  2            4        1         1   total  0.000026  0.000026
+16      1  2            5        1         1   total  0.000059  0.000036
+17      1  2            6        1         1   total  0.000033  0.000033
+6       2  1            1        1         1   total  0.000000  0.000000
+7       2  1            2        1         1   total  0.000000  0.000000
+8       2  1            3        1         1   total  0.000032  0.000032
+9       2  1            4        1         1   total  0.000080  0.000033
+10      2  1            5        1         1   total  0.000028  0.000028
+11      2  1            6        1         1   total  0.000000  0.000000
+18      2  2            1        1         1   total  0.000054  0.000033
+19      2  2            2        1         1   total  0.000029  0.000029
+20      2  2            3        1         1   total  0.000000  0.000000
+21      2  2            4        1         1   total  0.000054  0.000033
+22      2  2            5        1         1   total  0.000032  0.000032
+23      2  2            6        1         1   total  0.000000  0.000000
diff --git a/tests/unit_tests/dagmc/test_lost_particles.py b/tests/unit_tests/dagmc/test_lost_particles.py
index 3a4166009..931a37f64 100644
--- a/tests/unit_tests/dagmc/test_lost_particles.py
+++ b/tests/unit_tests/dagmc/test_lost_particles.py
@@ -57,6 +57,10 @@ def broken_dagmc_model(request):
     model.settings.inactive = 2
     model.settings.output = {'summary': False}
 
+    # Limit max particle events to prevent particles from getting stuck in the
+    # implicit complement of the non-root DAGMC universe.
+    model.settings.max_particle_events = 100
+
     model.export_to_xml()
 
     return model
diff --git a/tests/unit_tests/test_filter_mesh.py b/tests/unit_tests/test_filter_mesh.py
index faa43af47..e26bea337 100644
--- a/tests/unit_tests/test_filter_mesh.py
+++ b/tests/unit_tests/test_filter_mesh.py
@@ -285,3 +285,128 @@ def test_mesh_filter_rotation_roundtrip(run_in_tmpdir):
     elem = mesh_filter.to_xml_element()
     mesh_filter_xml = openmc.MeshFilter.from_xml_element(elem, meshes={mesh.id: mesh})
     assert np.allclose(mesh_filter_xml.rotation, mesh_filter.rotation)
+
+
+def test_mesh_filter_dataframe_regular_3d():
+    """Test MeshFilter.get_pandas_dataframe with a 3D RegularMesh."""
+    mesh = openmc.RegularMesh()
+    mesh.lower_left = [0, 0, 0]
+    mesh.upper_right = [3, 4, 5]
+    mesh.dimension = [3, 4, 5]
+
+    f = openmc.MeshFilter(mesh)
+    data_size = 3 * 4 * 5
+    df = f.get_pandas_dataframe(data_size, stride=1)
+
+    mesh_key = f'mesh {mesh.id}'
+    assert (mesh_key, 'x') in df.columns
+    assert (mesh_key, 'y') in df.columns
+    assert (mesh_key, 'z') in df.columns
+    assert len(df) == data_size
+    # x varies fastest (stride=1), then y (stride=3), then z (stride=12)
+    assert list(df[(mesh_key, 'x')][:3]) == [1, 2, 3]
+    assert df[(mesh_key, 'y')].iloc[0] == 1
+    assert df[(mesh_key, 'y')].iloc[3] == 2
+
+
+def test_mesh_filter_dataframe_regular_2d():
+    """Test MeshFilter.get_pandas_dataframe with a 2D RegularMesh."""
+    mesh = openmc.RegularMesh()
+    mesh.lower_left = [0, 0]
+    mesh.upper_right = [2, 3]
+    mesh.dimension = [2, 3]
+
+    f = openmc.MeshFilter(mesh)
+    data_size = 2 * 3
+    df = f.get_pandas_dataframe(data_size, stride=1)
+
+    mesh_key = f'mesh {mesh.id}'
+    assert (mesh_key, 'x') in df.columns
+    assert (mesh_key, 'y') in df.columns
+    # Should NOT have a z column for a 2D mesh
+    assert (mesh_key, 'z') not in df.columns
+    assert len(df) == data_size
+
+
+def test_mesh_filter_dataframe_regular_1d():
+    """Test MeshFilter.get_pandas_dataframe with a 1D RegularMesh."""
+    mesh = openmc.RegularMesh()
+    mesh.lower_left = [0]
+    mesh.upper_right = [5]
+    mesh.dimension = [5]
+
+    f = openmc.MeshFilter(mesh)
+    data_size = 5
+    df = f.get_pandas_dataframe(data_size, stride=1)
+
+    mesh_key = f'mesh {mesh.id}'
+    assert (mesh_key, 'x') in df.columns
+    assert (mesh_key, 'y') not in df.columns
+    assert (mesh_key, 'z') not in df.columns
+    assert len(df) == data_size
+    assert list(df[(mesh_key, 'x')]) == [1, 2, 3, 4, 5]
+
+
+def test_mesh_filter_dataframe_cylindrical():
+    """Test MeshFilter.get_pandas_dataframe with a CylindricalMesh."""
+    mesh = openmc.CylindricalMesh(
+        r_grid=[0.0, 1.0, 2.0],
+        phi_grid=[0.0, math.pi],
+        z_grid=[0.0, 5.0, 10.0]
+    )
+
+    f = openmc.MeshFilter(mesh)
+    nr, nphi, nz = mesh.dimension  # 2, 1, 2
+    data_size = nr * nphi * nz
+    df = f.get_pandas_dataframe(data_size, stride=1)
+
+    mesh_key = f'mesh {mesh.id}'
+    assert (mesh_key, 'r') in df.columns
+    assert (mesh_key, 'phi') in df.columns
+    assert (mesh_key, 'z') in df.columns
+    # Should NOT have x, y columns
+    assert (mesh_key, 'x') not in df.columns
+    assert (mesh_key, 'y') not in df.columns
+    assert len(df) == data_size
+    # r varies fastest
+    assert list(df[(mesh_key, 'r')][:nr]) == [1, 2]
+
+
+def test_mesh_filter_dataframe_spherical():
+    """Test MeshFilter.get_pandas_dataframe with a SphericalMesh."""
+    mesh = openmc.SphericalMesh(
+        r_grid=[0.0, 1.0, 2.0, 3.0],
+        theta_grid=[0, math.pi],
+        phi_grid=[0, 2 * math.pi]
+    )
+
+    f = openmc.MeshFilter(mesh)
+    nr, ntheta, nphi = mesh.dimension  # 3, 1, 1
+    data_size = nr * ntheta * nphi
+    df = f.get_pandas_dataframe(data_size, stride=1)
+
+    mesh_key = f'mesh {mesh.id}'
+    assert (mesh_key, 'r') in df.columns
+    assert (mesh_key, 'theta') in df.columns
+    assert (mesh_key, 'phi') in df.columns
+    assert (mesh_key, 'x') not in df.columns
+    assert len(df) == data_size
+
+
+def test_mesh_filter_dataframe_rectilinear():
+    """Test MeshFilter.get_pandas_dataframe with a RectilinearMesh."""
+    mesh = openmc.RectilinearMesh()
+    mesh.x_grid = [0.0, 1.0, 2.0]
+    mesh.y_grid = [0.0, 1.0, 2.0, 3.0]
+    mesh.z_grid = [0.0, 5.0]
+
+    f = openmc.MeshFilter(mesh)
+    nx, ny, nz = mesh.dimension  # 2, 3, 1
+    data_size = nx * ny * nz
+    df = f.get_pandas_dataframe(data_size, stride=1)
+
+    mesh_key = f'mesh {mesh.id}'
+    assert (mesh_key, 'x') in df.columns
+    assert (mesh_key, 'y') in df.columns
+    assert (mesh_key, 'z') in df.columns
+    assert len(df) == data_size

From 3ff6b59a491a11682b9cc9c9748b22005254e67d Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Wed, 25 Feb 2026 06:44:30 +0100
Subject: [PATCH 2542/2654] Allow Mesh.from_domain to use bounding boxes
 directly (#3828)

---
 openmc/mesh.py                            | 63 ++++++++++++++---------
 tests/unit_tests/test_mesh_from_domain.py | 11 ++++
 2 files changed, 49 insertions(+), 25 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 946b90fbf..3f0802d6b 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -1188,7 +1188,7 @@ class RegularMesh(StructuredMesh):
     @classmethod
     def from_domain(
         cls,
-        domain: HasBoundingBox,
+        domain: HasBoundingBox | BoundingBox,
         dimension: Sequence[int] | int = 1000,
         mesh_id: int | None = None,
         name: str = ''
@@ -1197,10 +1197,12 @@ class RegularMesh(StructuredMesh):
 
         Parameters
         ----------
-        domain : HasBoundingBox
+        domain : HasBoundingBox | openmc.BoundingBox
             The object passed in will be used as a template for this mesh. The
             bounding box of the property of the object passed will be used to
-            set the lower_left and upper_right and of the mesh instance
+            set the lower_left and upper_right and of the mesh instance.
+            Alternatively, a :class:`openmc.BoundingBox` can be passed
+            directly.
         dimension : Iterable of int | int
             The number of mesh cells in total or number of mesh cells in each
             direction (x, y, z). If a single integer is provided, the domain
@@ -1217,21 +1219,26 @@ class RegularMesh(StructuredMesh):
             RegularMesh instance
 
         """
-        if not hasattr(domain, 'bounding_box'):
-            raise TypeError("Domain must have a bounding_box property")
+        if isinstance(domain, BoundingBox):
+            bb = domain
+        elif hasattr(domain, 'bounding_box'):
+            bb = domain.bounding_box
+        else:
+            raise TypeError("Domain must be a BoundingBox or have a "
+                            "bounding_box property")
 
         mesh = cls(mesh_id=mesh_id, name=name)
-        mesh.lower_left = domain.bounding_box[0]
-        mesh.upper_right = domain.bounding_box[1]
+        mesh.lower_left = bb[0]
+        mesh.upper_right = bb[1]
         if isinstance(dimension, int):
             cv.check_greater_than("dimension", dimension, 1, equality=True)
             # If a single integer is provided, divide the domain into that many
             # mesh cells with roughly equal lengths in each direction
-            ideal_cube_volume = domain.bounding_box.volume / dimension
+            ideal_cube_volume = bb.volume / dimension
             ideal_cube_size = ideal_cube_volume ** (1 / 3)
             dimension = [
                 max(1, int(round(side / ideal_cube_size)))
-                for side in domain.bounding_box.width
+                for side in bb.width
             ]
         mesh.dimension = dimension
 
@@ -1904,7 +1911,7 @@ class CylindricalMesh(StructuredMesh):
     @classmethod
     def from_domain(
         cls,
-        domain: HasBoundingBox,
+        domain: HasBoundingBox | BoundingBox,
         dimension: Sequence[int] = (10, 10, 10),
         mesh_id: int | None = None,
         phi_grid_bounds: Sequence[float] = (0.0, 2*pi),
@@ -1915,10 +1922,11 @@ class CylindricalMesh(StructuredMesh):
 
         Parameters
         ----------
-        domain : HasBoundingBox
+        domain : HasBoundingBox | openmc.BoundingBox
             The object passed in will be used as a template for this mesh. The
             bounding box of the property of the object passed will be used to
-            set the r_grid, z_grid ranges.
+            set the r_grid, z_grid ranges. Alternatively, a
+            :class:`openmc.BoundingBox` can be passed directly.
         dimension : Iterable of int
             The number of equally spaced mesh cells in each direction (r_grid,
             phi_grid, z_grid)
@@ -1939,11 +1947,13 @@ class CylindricalMesh(StructuredMesh):
             CylindricalMesh instance
 
         """
-        if not hasattr(domain, 'bounding_box'):
-            raise TypeError("Domain must have a bounding_box property")
-
-        # loaded once to avoid recalculating bounding box
-        cached_bb = domain.bounding_box
+        if isinstance(domain, BoundingBox):
+            cached_bb = domain
+        elif hasattr(domain, 'bounding_box'):
+            cached_bb = domain.bounding_box
+        else:
+            raise TypeError("Domain must be a BoundingBox or have a "
+                            "bounding_box property")
 
         if enclose_domain:
             outer_radius = 0.5 * np.linalg.norm(cached_bb.width[:2])
@@ -2290,7 +2300,7 @@ class SphericalMesh(StructuredMesh):
     @classmethod
     def from_domain(
         cls,
-        domain: HasBoundingBox,
+        domain: HasBoundingBox | BoundingBox,
         dimension: Sequence[int] = (10, 10, 10),
         mesh_id: int | None = None,
         phi_grid_bounds: Sequence[float] = (0.0, 2*pi),
@@ -2302,10 +2312,11 @@ class SphericalMesh(StructuredMesh):
 
         Parameters
         ----------
-        domain : HasBoundingBox
+        domain : HasBoundingBox | openmc.BoundingBox
             The object passed in will be used as a template for this mesh. The
             bounding box of the property of the object passed will be used to
-            set the r_grid, phi_grid, and theta_grid ranges.
+            set the r_grid, phi_grid, and theta_grid ranges. Alternatively, a
+            :class:`openmc.BoundingBox` can be passed directly.
         dimension : Iterable of int
             The number of equally spaced mesh cells in each direction (r_grid,
             phi_grid, theta_grid). Spacing is in angular space (radians) for
@@ -2330,11 +2341,13 @@ class SphericalMesh(StructuredMesh):
             SphericalMesh instance
 
         """
-        if not hasattr(domain, 'bounding_box'):
-            raise TypeError("Domain must have a bounding_box property")
-
-        # loaded once to avoid recalculating bounding box
-        cached_bb = domain.bounding_box
+        if isinstance(domain, BoundingBox):
+            cached_bb = domain
+        elif hasattr(domain, 'bounding_box'):
+            cached_bb = domain.bounding_box
+        else:
+            raise TypeError("Domain must be a BoundingBox or have a "
+                            "bounding_box property")
 
         if enclose_domain:
             outer_radius = 0.5 * np.linalg.norm(cached_bb.width)
diff --git a/tests/unit_tests/test_mesh_from_domain.py b/tests/unit_tests/test_mesh_from_domain.py
index 5b1173126..2b02921b5 100644
--- a/tests/unit_tests/test_mesh_from_domain.py
+++ b/tests/unit_tests/test_mesh_from_domain.py
@@ -16,6 +16,17 @@ def test_reg_mesh_from_cell():
     assert np.array_equal(mesh.upper_right, cell.bounding_box[1])
 
 
+def test_reg_mesh_from_bounding_box():
+    """Tests a RegularMesh can be made from a BoundingBox directly."""
+    bb = openmc.BoundingBox([-8, -7, -5], [12, 13, 15])
+
+    mesh = openmc.RegularMesh.from_domain(domain=bb, dimension=[7, 11, 13])
+    assert isinstance(mesh, openmc.RegularMesh)
+    assert np.array_equal(mesh.dimension, (7, 11, 13))
+    assert np.array_equal(mesh.lower_left, bb[0])
+    assert np.array_equal(mesh.upper_right, bb[1])
+
+
 def test_cylindrical_mesh_from_cell():
     """Tests a CylindricalMesh can be made from a Cell and the specified
     dimensions are propagated through."""

From 5a85bd92f2d6f5054829cfbac7d660b734cca40f Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Wed, 25 Feb 2026 11:08:04 -0600
Subject: [PATCH 2543/2654] C++ formatting suggestions on PRs (#3829)

---
 .github/workflows/format-check.yml | 30 +++++++++++++++++++++++++++++-
 1 file changed, 29 insertions(+), 1 deletion(-)

diff --git a/.github/workflows/format-check.yml b/.github/workflows/format-check.yml
index cef14ca2c..42b28b2cd 100644
--- a/.github/workflows/format-check.yml
+++ b/.github/workflows/format-check.yml
@@ -5,6 +5,12 @@ on:
   workflow_dispatch:
 
   pull_request:
+    types:
+      - opened
+      - synchronize
+      - reopened
+      - labeled
+      - unlabeled
     branches:
       - develop
       - master
@@ -12,6 +18,9 @@ on:
 jobs:
   cpp-linter:
     runs-on: ubuntu-latest
+    permissions:
+      contents: read
+      pull-requests: write
     steps:
       - uses: actions/checkout@v4
       - uses: cpp-linter/cpp-linter-action@v2
@@ -23,10 +32,29 @@ jobs:
           files-changed-only: true
           tidy-checks: '-*'
           version: '15' # clang-format version
+          format-review: ${{ github.event_name == 'pull_request' && contains(github.event.pull_request.labels.*.name, 'cpp-format-suggest') }}
+          passive-reviews: ${{ github.event_name == 'pull_request' && contains(github.event.pull_request.labels.*.name, 'cpp-format-suggest') }}
           file-annotations: true
           step-summary: true
           extensions: 'cpp,h'
 
+      - name: Comment with suggestion instructions
+        if: steps.linter.outputs.checks-failed > 0 && !contains(github.event.pull_request.labels.*.name, 'cpp-format-suggest')
+        uses: actions/github-script@v7
+        with:
+          script: |
+            const {owner, repo} = context.repo;
+            const issue_number = context.payload.pull_request.number;
+            await github.rest.issues.createComment({
+              owner,
+              repo,
+              issue_number,
+              body: "C++ formatting checks failed. Add the `cpp-format-suggest` label to this PR for inline formatting suggestions on the next run."
+            });
+
       - name: Failure Check
         if: steps.linter.outputs.checks-failed > 0
-        run: echo "Some files failed the formatting check! See job summary and file annotations for more info" && exit 1
+        run: |
+          echo "Some files failed the formatting check."
+          echo "See job summary and file annotations for details."
+          exit 1

From c0427dd40ad419e2cde38dfc8491d6437f64caee Mon Sep 17 00:00:00 2001
From: GuySten <62616591+GuySten@users.noreply.github.com>
Date: Wed, 25 Feb 2026 22:01:33 +0200
Subject: [PATCH 2544/2654] Resolve conflict with weight windows and global
 russian roulette (#3751)

Co-authored-by: Patrick Shriwise <pshriwise@gmail.com>
---
 include/openmc/physics_common.h               |   4 +
 include/openmc/weight_windows.h               |  33 +-
 src/physics.cpp                               |  28 +-
 src/physics_common.cpp                        |  16 +
 src/physics_mg.cpp                            |  28 +-
 src/random_ray/flat_source_domain.cpp         |   2 +-
 src/settings.cpp                              |   7 +
 src/weight_windows.cpp                        | 234 +++++-----
 .../survival_biasing/__init__.py              |   0
 .../survival_biasing/inputs_true.dat          |  68 +++
 .../survival_biasing/results_true.dat         |   1 +
 .../weightwindows/survival_biasing/test.py    |  81 ++++
 .../weightwindows/survival_biasing/ww_n.txt   | 400 ++++++++++++++++++
 13 files changed, 748 insertions(+), 154 deletions(-)
 create mode 100644 tests/regression_tests/weightwindows/survival_biasing/__init__.py
 create mode 100644 tests/regression_tests/weightwindows/survival_biasing/inputs_true.dat
 create mode 100644 tests/regression_tests/weightwindows/survival_biasing/results_true.dat
 create mode 100644 tests/regression_tests/weightwindows/survival_biasing/test.py
 create mode 100644 tests/regression_tests/weightwindows/survival_biasing/ww_n.txt

diff --git a/include/openmc/physics_common.h b/include/openmc/physics_common.h
index e38a3c7f8..b0e395c1e 100644
--- a/include/openmc/physics_common.h
+++ b/include/openmc/physics_common.h
@@ -13,5 +13,9 @@ namespace openmc {
 //! \param[in] weight_survive Weight assigned to particles that survive
 void russian_roulette(Particle& p, double weight_survive);
 
+//! \brief Performs the global russian roulette operation on a particle
+//! \param[in,out] p  Particle object
+void apply_russian_roulette(Particle& p);
+
 } // namespace openmc
 #endif // OPENMC_PHYSICS_COMMON_H
diff --git a/include/openmc/weight_windows.h b/include/openmc/weight_windows.h
index 97abcfe82..42846f9d1 100644
--- a/include/openmc/weight_windows.h
+++ b/include/openmc/weight_windows.h
@@ -25,17 +25,6 @@ enum class WeightWindowUpdateMethod { MAGIC, FW_CADIS };
 
 constexpr double DEFAULT_WEIGHT_CUTOFF {1.0e-38}; // default low weight cutoff
 
-//==============================================================================
-// Non-member functions
-//==============================================================================
-
-//! Apply weight windows to a particle
-//! \param[in] p  Particle to apply weight windows to
-void apply_weight_windows(Particle& p);
-
-//! Free memory associated with weight windows
-void free_memory_weight_windows();
-
 //==============================================================================
 // Global variables
 //==============================================================================
@@ -137,7 +126,7 @@ public:
 
   //! Retrieve the weight window for a particle
   //! \param[in] p  Particle to get weight window for
-  WeightWindow get_weight_window(const Particle& p) const;
+  std::pair<bool, WeightWindow> get_weight_window(const Particle& p) const;
 
   std::array<int, 2> bounds_size() const;
 
@@ -236,6 +225,26 @@ public:
   double ratio_ {5.0};     //<! ratio of lower to upper weight window bounds
 };
 
+//==============================================================================
+// Non-member functions
+//==============================================================================
+
+//! Apply weight windows to a particle
+//! \param[in] p  Particle to apply weight windows to
+void apply_weight_windows(Particle& p);
+
+//! Apply weight window to a particle
+//! \param[in] p  Particle to apply weight window to
+//! \param[in] weight_window WeightWindow to apply
+void apply_weight_window(Particle& p, WeightWindow weight_window);
+
+//! Free memory associated with weight windows
+void free_memory_weight_windows();
+
+//! Search weight window that apply to a particle
+//! \param[in]  p  Particle to search weight window for
+std::pair<bool, WeightWindow> search_weight_window(const Particle& p);
+
 //! Finalize variance reduction objects after all inputs have been read
 void finalize_variance_reduction();
 
diff --git a/src/physics.cpp b/src/physics.cpp
index c9737205c..72b4a6611 100644
--- a/src/physics.cpp
+++ b/src/physics.cpp
@@ -64,8 +64,17 @@ void collision(Particle& p)
     fatal_error("Unsupported particle PDG for collision sampling.");
   }
 
-  if (settings::weight_window_checkpoint_collision)
-    apply_weight_windows(p);
+  if (settings::weight_windows_on) {
+    auto [ww_found, ww] = search_weight_window(p);
+    if (!ww_found && p.type() == ParticleType::neutron()) {
+      // if the weight window is not valid, apply russian roulette for neutrons
+      // (regardless of weight window collision checkpoint setting)
+      apply_russian_roulette(p);
+    } else if (settings::weight_window_checkpoint_collision) {
+      // if collision checkpointing is on, apply weight window
+      apply_weight_window(p, ww);
+    }
+  }
 
   // Kill particle if energy falls below cutoff
   int type = p.type().transport_index();
@@ -156,18 +165,9 @@ void sample_neutron_reaction(Particle& p)
     advance_prn_seed(data::nuclides.size(), &p.seeds(STREAM_URR_PTABLE));
   }
 
-  // Play russian roulette if survival biasing is turned on
-  if (settings::survival_biasing) {
-    // if survival normalization is on, use normalized weight cutoff and
-    // normalized weight survive
-    if (settings::survival_normalization) {
-      if (p.wgt() < settings::weight_cutoff * p.wgt_born()) {
-        russian_roulette(p, settings::weight_survive * p.wgt_born());
-      }
-    } else if (p.wgt() < settings::weight_cutoff) {
-      russian_roulette(p, settings::weight_survive);
-    }
-  }
+  // Play russian roulette if there are no weight windows
+  if (!settings::weight_windows_on)
+    apply_russian_roulette(p);
 }
 
 void create_fission_sites(Particle& p, int i_nuclide, const Reaction& rx)
diff --git a/src/physics_common.cpp b/src/physics_common.cpp
index e25ae6b97..10760ce2d 100644
--- a/src/physics_common.cpp
+++ b/src/physics_common.cpp
@@ -18,4 +18,20 @@ void russian_roulette(Particle& p, double weight_survive)
   }
 }
 
+void apply_russian_roulette(Particle& p)
+{
+  // Exit if survival biasing is turned off
+  if (!settings::survival_biasing)
+    return;
+
+  // if survival normalization is on, use normalized weight cutoff and
+  // normalized weight survive
+  if (settings::survival_normalization) {
+    if (p.wgt() < settings::weight_cutoff * p.wgt_born()) {
+      russian_roulette(p, settings::weight_survive * p.wgt_born());
+    }
+  } else if (p.wgt() < settings::weight_cutoff) {
+    russian_roulette(p, settings::weight_survive);
+  }
+}
 } // namespace openmc
diff --git a/src/physics_mg.cpp b/src/physics_mg.cpp
index 32ae10a60..6991c7365 100644
--- a/src/physics_mg.cpp
+++ b/src/physics_mg.cpp
@@ -32,8 +32,17 @@ void collision_mg(Particle& p)
   // Sample the reaction type
   sample_reaction(p);
 
-  if (settings::weight_window_checkpoint_collision)
-    apply_weight_windows(p);
+  if (settings::weight_windows_on) {
+    auto [ww_found, ww] = search_weight_window(p);
+    if (!ww_found && p.type() == ParticleType::neutron()) {
+      // if the weight window is not valid, apply russian roulette
+      // (regardless of weight window collision checkpoint setting)
+      apply_russian_roulette(p);
+    } else if (settings::weight_window_checkpoint_collision) {
+      // if collision checkpointing is on, apply weight window
+      apply_weight_window(p, ww);
+    }
+  }
 
   // Display information about collision
   if ((settings::verbosity >= 10) || p.trace()) {
@@ -67,18 +76,9 @@ void sample_reaction(Particle& p)
   // Sample a scattering event to determine the energy of the exiting neutron
   scatter(p);
 
-  // Play Russian roulette if survival biasing is turned on
-  if (settings::survival_biasing) {
-    // if survival normalization is applicable, use normalized weight cutoff and
-    // normalized weight survive
-    if (settings::survival_normalization) {
-      if (p.wgt() < settings::weight_cutoff * p.wgt_born()) {
-        russian_roulette(p, settings::weight_survive * p.wgt_born());
-      }
-    } else if (p.wgt() < settings::weight_cutoff) {
-      russian_roulette(p, settings::weight_survive);
-    }
-  }
+  // Play russian roulette if there are no weight windows
+  if (!settings::weight_windows_on)
+    apply_russian_roulette(p);
 }
 
 void scatter(Particle& p)
diff --git a/src/random_ray/flat_source_domain.cpp b/src/random_ray/flat_source_domain.cpp
index b881ced71..1a6e7c0be 100644
--- a/src/random_ray/flat_source_domain.cpp
+++ b/src/random_ray/flat_source_domain.cpp
@@ -843,7 +843,7 @@ void FlatSourceDomain::output_to_vtk() const
           voxel_positions[z * Ny * Nx + y * Nx + x] = sample;
 
           if (variance_reduction::weight_windows.size() == 1) {
-            WeightWindow ww =
+            auto [ww_found, ww] =
               variance_reduction::weight_windows[0]->get_weight_window(p);
             float weight = ww.lower_weight;
             weight_windows[z * Ny * Nx + y * Nx + x] = weight;
diff --git a/src/settings.cpp b/src/settings.cpp
index b6a9ab953..ee8edd4a5 100644
--- a/src/settings.cpp
+++ b/src/settings.cpp
@@ -1266,6 +1266,13 @@ void read_settings_xml(pugi::xml_node root)
     }
   }
 
+  if (weight_windows_on) {
+    if (!weight_window_checkpoint_surface &&
+        !weight_window_checkpoint_collision)
+      fatal_error(
+        "Weight Windows are enabled but there are no valid checkpoints.");
+  }
+
   if (check_for_node(root, "use_decay_photons")) {
     settings::use_decay_photons =
       get_node_value_bool(root, "use_decay_photons");
diff --git a/src/weight_windows.cpp b/src/weight_windows.cpp
index c05169132..c00872e56 100644
--- a/src/weight_windows.cpp
+++ b/src/weight_windows.cpp
@@ -44,108 +44,6 @@ openmc::vector<unique_ptr<WeightWindowsGenerator>> weight_windows_generators;
 
 } // namespace variance_reduction
 
-//==============================================================================
-// Non-member functions
-//==============================================================================
-
-void apply_weight_windows(Particle& p)
-{
-  if (!settings::weight_windows_on)
-    return;
-
-  // WW on photon and neutron only
-  if (!p.type().is_neutron() && !p.type().is_photon())
-    return;
-
-  // skip dead or no energy
-  if (p.E() <= 0 || !p.alive())
-    return;
-
-  bool in_domain = false;
-  // TODO: this is a linear search - should do something more clever
-  WeightWindow weight_window;
-  for (const auto& ww : variance_reduction::weight_windows) {
-    weight_window = ww->get_weight_window(p);
-    if (weight_window.is_valid())
-      break;
-  }
-
-  // If particle has not yet had its birth weight window value set, set it to
-  // the current weight window (or 1.0 if not born in a weight window).
-  if (p.wgt_ww_born() == -1.0) {
-    if (weight_window.is_valid()) {
-      p.wgt_ww_born() =
-        (weight_window.lower_weight + weight_window.upper_weight) / 2;
-    } else {
-      p.wgt_ww_born() = 1.0;
-    }
-  }
-
-  // particle is not in any of the ww domains, do nothing
-  if (!weight_window.is_valid())
-    return;
-
-  // Normalize weight windows based on particle's starting weight
-  // and the value of the weight window the particle was born in.
-  weight_window.scale(p.wgt_born() / p.wgt_ww_born());
-
-  // get the paramters
-  double weight = p.wgt();
-
-  // first check to see if particle should be killed for weight cutoff
-  if (p.wgt() < weight_window.weight_cutoff) {
-    p.wgt() = 0.0;
-    return;
-  }
-
-  // check if particle is far above current weight window
-  // only do this if the factor is not already set on the particle and a
-  // maximum lower bound ratio is specified
-  if (p.ww_factor() == 0.0 && weight_window.max_lb_ratio > 1.0 &&
-      p.wgt() > weight_window.lower_weight * weight_window.max_lb_ratio) {
-    p.ww_factor() =
-      p.wgt() / (weight_window.lower_weight * weight_window.max_lb_ratio);
-  }
-
-  // move weight window closer to the particle weight if needed
-  if (p.ww_factor() > 1.0)
-    weight_window.scale(p.ww_factor());
-
-  // if particle's weight is above the weight window split until they are within
-  // the window
-  if (weight > weight_window.upper_weight) {
-    // do not further split the particle if above the limit
-    if (p.n_split() >= settings::max_history_splits)
-      return;
-
-    double n_split = std::ceil(weight / weight_window.upper_weight);
-    double max_split = weight_window.max_split;
-    n_split = std::min(n_split, max_split);
-
-    p.n_split() += n_split;
-
-    // Create secondaries and divide weight among all particles
-    int i_split = std::round(n_split);
-    for (int l = 0; l < i_split - 1; l++) {
-      p.split(weight / n_split);
-    }
-    // remaining weight is applied to current particle
-    p.wgt() = weight / n_split;
-
-  } else if (weight <= weight_window.lower_weight) {
-    // if the particle weight is below the window, play Russian roulette
-    double weight_survive =
-      std::min(weight * weight_window.max_split, weight_window.survival_weight);
-    russian_roulette(p, weight_survive);
-  } // else particle is in the window, continue as normal
-}
-
-void free_memory_weight_windows()
-{
-  variance_reduction::ww_map.clear();
-  variance_reduction::weight_windows.clear();
-}
-
 //==============================================================================
 // WeightWindowSettings implementation
 //==============================================================================
@@ -375,27 +273,28 @@ void WeightWindows::set_mesh(const Mesh* mesh)
   set_mesh(model::mesh_map[mesh->id_]);
 }
 
-WeightWindow WeightWindows::get_weight_window(const Particle& p) const
+std::pair<bool, WeightWindow> WeightWindows::get_weight_window(
+  const Particle& p) const
 {
   // check for particle type
   if (particle_type_ != p.type()) {
-    return {};
+    return {false, {}};
   }
 
+  // particle energy
+  double E = p.E();
+
+  // check to make sure energy is in range, expects sorted energy values
+  if (E < energy_bounds_.front() || E > energy_bounds_.back())
+    return {false, {}};
+
   // Get mesh index for particle's position
   const auto& mesh = this->mesh();
   int mesh_bin = mesh->get_bin(p.r());
 
   // particle is outside the weight window mesh
   if (mesh_bin < 0)
-    return {};
-
-  // particle energy
-  double E = p.E();
-
-  // check to make sure energy is in range, expects sorted energy values
-  if (E < energy_bounds_.front() || E > energy_bounds_.back())
-    return {};
+    return {false, {}};
 
   // get the mesh bin in energy group
   int energy_bin =
@@ -410,7 +309,7 @@ WeightWindow WeightWindows::get_weight_window(const Particle& p) const
   ww.max_lb_ratio = max_lb_ratio_;
   ww.max_split = max_split_;
   ww.weight_cutoff = weight_cutoff_;
-  return ww;
+  return {true, ww};
 }
 
 std::array<int, 2> WeightWindows::bounds_size() const
@@ -1023,6 +922,115 @@ void WeightWindowsGenerator::update() const
 // Non-member functions
 //==============================================================================
 
+std::pair<bool, WeightWindow> search_weight_window(const Particle& p)
+{
+  // TODO: this is a linear search - should do something more clever
+  for (const auto& ww : variance_reduction::weight_windows) {
+    auto [ww_found, weight_window] = ww->get_weight_window(p);
+    if (ww_found)
+      return {true, weight_window};
+  }
+  return {false, {}};
+}
+
+void apply_weight_windows(Particle& p)
+{
+  if (!settings::weight_windows_on)
+    return;
+
+  // WW on photon and neutron only
+  if (!p.type().is_neutron() && !p.type().is_photon())
+    return;
+
+  // skip dead or no energy
+  if (p.E() <= 0 || !p.alive())
+    return;
+
+  auto [ww_found, ww] = search_weight_window(p);
+  if (ww_found && ww.is_valid()) {
+    apply_weight_window(p, ww);
+  } else {
+    if (p.wgt_ww_born() == -1.0)
+      p.wgt_ww_born() = 1.0;
+  }
+}
+
+void apply_weight_window(Particle& p, WeightWindow weight_window)
+{
+  if (!weight_window.is_valid())
+    return;
+
+  // skip dead or no energy
+  if (p.E() <= 0 || !p.alive())
+    return;
+
+  // If particle has not yet had its birth weight window value set, set it to
+  // the current weight window.
+  if (p.wgt_ww_born() == -1.0)
+    p.wgt_ww_born() =
+      (weight_window.lower_weight + weight_window.upper_weight) / 2;
+
+  // Normalize weight windows based on particle's starting weight
+  // and the value of the weight window the particle was born in.
+  weight_window.scale(p.wgt_born() / p.wgt_ww_born());
+
+  // get the paramters
+  double weight = p.wgt();
+
+  // first check to see if particle should be killed for weight cutoff
+  if (p.wgt() < weight_window.weight_cutoff) {
+    p.wgt() = 0.0;
+    return;
+  }
+
+  // check if particle is far above current weight window
+  // only do this if the factor is not already set on the particle and a
+  // maximum lower bound ratio is specified
+  if (p.ww_factor() == 0.0 && weight_window.max_lb_ratio > 1.0 &&
+      p.wgt() > weight_window.lower_weight * weight_window.max_lb_ratio) {
+    p.ww_factor() =
+      p.wgt() / (weight_window.lower_weight * weight_window.max_lb_ratio);
+  }
+
+  // move weight window closer to the particle weight if needed
+  if (p.ww_factor() > 1.0)
+    weight_window.scale(p.ww_factor());
+
+  // if particle's weight is above the weight window split until they are within
+  // the window
+  if (weight > weight_window.upper_weight) {
+    // do not further split the particle if above the limit
+    if (p.n_split() >= settings::max_history_splits)
+      return;
+
+    double n_split = std::ceil(weight / weight_window.upper_weight);
+    double max_split = weight_window.max_split;
+    n_split = std::min(n_split, max_split);
+
+    p.n_split() += n_split;
+
+    // Create secondaries and divide weight among all particles
+    int i_split = std::round(n_split);
+    for (int l = 0; l < i_split - 1; l++) {
+      p.split(weight / n_split);
+    }
+    // remaining weight is applied to current particle
+    p.wgt() = weight / n_split;
+
+  } else if (weight <= weight_window.lower_weight) {
+    // if the particle weight is below the window, play Russian roulette
+    double weight_survive =
+      std::min(weight * weight_window.max_split, weight_window.survival_weight);
+    russian_roulette(p, weight_survive);
+  } // else particle is in the window, continue as normal
+}
+
+void free_memory_weight_windows()
+{
+  variance_reduction::ww_map.clear();
+  variance_reduction::weight_windows.clear();
+}
+
 void finalize_variance_reduction()
 {
   for (const auto& wwg : variance_reduction::weight_windows_generators) {
diff --git a/tests/regression_tests/weightwindows/survival_biasing/__init__.py b/tests/regression_tests/weightwindows/survival_biasing/__init__.py
new file mode 100644
index 000000000..e69de29bb
diff --git a/tests/regression_tests/weightwindows/survival_biasing/inputs_true.dat b/tests/regression_tests/weightwindows/survival_biasing/inputs_true.dat
new file mode 100644
index 000000000..d5aa135d4
--- /dev/null
+++ b/tests/regression_tests/weightwindows/survival_biasing/inputs_true.dat
@@ -0,0 +1,68 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material id="1" name="Tungsten">
+      <density value="19.25" units="g/cm3"/>
+      <nuclide name="W180" ao="0.0012"/>
+      <nuclide name="W182" ao="0.265"/>
+      <nuclide name="W183" ao="0.1431"/>
+      <nuclide name="W184" ao="0.3064"/>
+      <nuclide name="W186" ao="0.2843"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="1 -2 3 -4 5 -6" universe="1"/>
+    <surface id="1" type="x-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="2" type="x-plane" boundary="vacuum" coeffs="160.0"/>
+    <surface id="3" type="y-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="4" type="y-plane" boundary="reflective" coeffs="160.0"/>
+    <surface id="5" type="z-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="6" type="z-plane" boundary="reflective" coeffs="160.0"/>
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>50</particles>
+    <batches>5</batches>
+    <source type="independent" strength="1.0" particle="neutron">
+      <space type="cartesian">
+        <x type="discrete">
+          <parameters>0.01 1.0</parameters>
+        </x>
+        <y type="uniform" parameters="0.0 160.0"/>
+        <z type="uniform" parameters="0.0 160.0"/>
+      </space>
+      <angle type="monodirectional" reference_uvw="1.0 0.0 0.0"/>
+      <energy type="discrete">
+        <parameters>14100000.0 1.0</parameters>
+      </energy>
+    </source>
+    <survival_biasing>true</survival_biasing>
+    <weight_windows id="1">
+      <mesh>1</mesh>
+      <particle_type>neutron</particle_type>
+      <lower_ww_bounds>0.46135961568957096 0.2874485390202603 0.13256013950494605 0.052765209609807295 0.020958440832685638 0.006317250035749876 0.002627037175682506 0.00030032343592437284 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 0.4611178493390162 0.28624862560842024 0.13999870622621136 0.05508479408959756 0.018281241958254993 0.0055577764872361555 0.0015265432226293397 0.00024298772352636966 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 0.46294957913063317 0.2857734367546051 0.13365623190336945 0.05034742166227103 0.017525851812913266 0.005096725451851077 0.0026297640951531403 0.00033732424392026144 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 0.45772598750472554 0.281494921471495 0.13604397962762246 0.054792881472295364 0.019802376898755525 0.0073351745579128495 0.002067392946066426 9.529474085926143e-05 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 0.4739762983490318 0.28419061537046764 0.12757509901507888 0.0516920293019733 0.01919167874787235 0.007593035964707848 0.0017488176314107277 9.678267909681988e-05 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 0.47560199098558276 0.27728389146956994 0.12760802572535623 0.05251965811713552 0.022498960644951632 0.01063372459325151 0.004242071054914633 0.00045603112202665183 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 0.47659199471934693 0.28886666944252215 0.1258637573398161 0.05818862375955657 0.020476313720744762 0.007143193244018263 0.0022364083022515273 0.0003953123781408474 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 0.4693487369606823 0.27180862139490125 0.12833455570423483 0.055146743559938344 0.020667403529470333 0.007891508723137146 0.001643551705407358 0.0006501416781353278 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 0.4538724931023337 0.2824491421084296 0.1275341706351566 0.055027501141893705 0.02305114640508087 0.008599303158607198 0.0025082611194161804 0.000518530311231696 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 0.45258444753220123 0.26839102466484255 0.12991633918797083 0.05442263709947767 0.019695895223471486 0.005353204961887518 0.0015074698293840157 0.0001598680898180058 8.872047880811405e-05 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 0.4482467985982804 0.2813276470183359 0.13449860790768647 0.056103278190533436 0.026274320334196962 0.006884071908429303 0.0033099390738735458 0.0005337454397674922 0.0001386380399465575 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 0.4875748950139487 0.2908586705316248 0.14212060658392278 0.06068108009637272 0.019467970468789477 0.00637102427946399 0.0028510425266191687 0.0012184421778115488 0.00029404541567146187 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 0.5 0.2852101551297824 0.13622307172321643 0.058302519884339946 0.023124734915152625 0.007401527839638796 0.002527635652743992 0.0008509612315162482 0.00018213334574554768 7.815977984795461e-06 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 0.47706397688984176 0.28313436859495966 0.13170624744221976 0.0525453512766549 0.021111753158319105 0.0067451713955609645 0.003204270539718037 0.0010308107242263192 0.0002759210144794204 0.00013727805365387318 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 0.48641988659284513 0.2816173231471242 0.131541850061199 0.054793200248327956 0.016517701691156576 0.006757591781856257 0.0025425350750908644 0.0006383278085839443 2.279421641064226e-05 0.0003597432472224371 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 0.4307755159245372 0.2652713784080849 0.12753857957535653 0.05470396852881577 0.02049817309420563 0.00566559741247352 0.0007213846765465147 6.848024591311009e-05 -1.0 8.609308814924014e-05 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 0.43631324024956025 0.2639077825530567 0.13368737962742414 0.05213531603720763 0.020628860469743833 0.008268384844678654 0.0028599221013934375 0.00013059757129982714 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 0.45926287238219 0.2635824148883888 0.13104280996799478 0.055379812186041905 0.019255042561941074 0.007252095690246872 0.0018026593488140996 0.0003215836458542421 9.14840176000331e-06 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 0.4574378998400604 0.28714971179927723 0.1363507911051337 0.05010315954654347 0.017963278989571074 0.0058998176297971605 0.0021393135666168 0.00015677575033083482 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 0.4821442782978812 0.27704132233083506 0.14149074035662307 0.05546042815834048 0.016800649382269998 0.004096804603054233 0.0019161108398578026 0.0005289600253155307 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0</lower_ww_bounds>
+      <upper_ww_bounds>2.306798078447855 1.4372426951013015 0.6628006975247303 0.2638260480490365 0.10479220416342819 0.03158625017874938 0.013135185878412529 0.0015016171796218643 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 2.3055892466950807 1.4312431280421012 0.6999935311310568 0.2754239704479878 0.09140620979127496 0.027788882436180776 0.007632716113146698 0.0012149386176318483 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 2.314747895653166 1.4288671837730256 0.6682811595168472 0.25173710831135515 0.08762925906456634 0.025483627259255386 0.013148820475765701 0.0016866212196013073 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 2.288629937523628 1.407474607357475 0.6802198981381123 0.2739644073614768 0.09901188449377762 0.036675872789564246 0.01033696473033213 0.00047647370429630714 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 2.369881491745159 1.4209530768523382 0.6378754950753944 0.2584601465098665 0.09595839373936176 0.03796517982353924 0.008744088157053638 0.00048391339548409945 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 2.3780099549279137 1.3864194573478497 0.6380401286267812 0.26259829058567763 0.11249480322475816 0.053168622966257545 0.021210355274573163 0.0022801556101332593 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 2.382959973596735 1.4443333472126108 0.6293187866990806 0.29094311879778284 0.10238156860372381 0.035715966220091315 0.011182041511257637 0.001976561890704237 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 2.3467436848034113 1.3590431069745064 0.6416727785211741 0.2757337177996917 0.10333701764735166 0.03945754361568573 0.00821775852703679 0.0032507083906766388 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 2.2693624655116684 1.412245710542148 0.637670853175783 0.27513750570946854 0.11525573202540434 0.04299651579303599 0.012541305597080901 0.00259265155615848 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 2.262922237661006 1.3419551233242126 0.6495816959398542 0.2721131854973884 0.09847947611735743 0.02676602480943759 0.007537349146920078 0.000799340449090029 0.0004436023940405703 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 2.2412339929914022 1.4066382350916795 0.6724930395384323 0.28051639095266717 0.1313716016709848 0.03442035954214652 0.016549695369367727 0.0026687271988374613 0.0006931901997327875 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 2.4378744750697434 1.4542933526581239 0.7106030329196139 0.3034054004818636 0.09733985234394739 0.03185512139731995 0.014255212633095843 0.006092210889057744 0.0014702270783573093 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 2.5 1.4260507756489118 0.6811153586160822 0.2915125994216997 0.11562367457576313 0.03700763919819398 0.012638178263719959 0.004254806157581241 0.0009106667287277384 3.9079889923977307e-05 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 2.385319884449209 1.4156718429747983 0.6585312372110987 0.2627267563832745 0.10555876579159552 0.03372585697780482 0.016021352698590185 0.005154053621131596 0.001379605072397102 0.000686390268269366 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 2.432099432964226 1.4080866157356209 0.657709250305995 0.2739660012416398 0.08258850845578287 0.03378795890928128 0.012712675375454322 0.0031916390429197216 0.0001139710820532113 0.0017987162361121855 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 2.1538775796226863 1.3263568920404245 0.6376928978767826 0.27351984264407886 0.10249086547102815 0.028327987062367603 0.0036069233827325737 0.0003424012295655504 -5.0 0.0004304654407462007 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 2.181566201247801 1.3195389127652835 0.6684368981371207 0.2606765801860381 0.10314430234871916 0.041341924223393264 0.014299610506967188 0.0006529878564991358 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 2.29631436191095 1.317912074441944 0.6552140498399739 0.27689906093020955 0.09627521280970537 0.03626047845123436 0.009013296744070498 0.0016079182292712106 4.574200880001655e-05 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 2.287189499200302 1.435748558996386 0.6817539555256685 0.25051579773271737 0.08981639494785537 0.029499088148985803 0.010696567833083998 0.0007838787516541741 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 2.410721391489406 1.3852066116541752 0.7074537017831153 0.2773021407917024 0.08400324691134999 0.020484023015271167 0.009580554199289014 0.0026448001265776534 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0</upper_ww_bounds>
+      <survival_ratio>3.0</survival_ratio>
+      <max_split>10</max_split>
+      <weight_cutoff>1e-38</weight_cutoff>
+    </weight_windows>
+    <mesh id="1">
+      <dimension>20 20 1</dimension>
+      <lower_left>0.0 0.0 0.0</lower_left>
+      <upper_right>160.0 160.0 160.0</upper_right>
+    </mesh>
+    <weight_window_checkpoints>
+      <collision>true</collision>
+      <surface>true</surface>
+    </weight_window_checkpoints>
+  </settings>
+  <tallies>
+    <filter id="1" type="mesh">
+      <bins>1</bins>
+    </filter>
+    <tally id="1" name="flux">
+      <filters>1</filters>
+      <scores>flux</scores>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/weightwindows/survival_biasing/results_true.dat b/tests/regression_tests/weightwindows/survival_biasing/results_true.dat
new file mode 100644
index 000000000..b457a245c
--- /dev/null
+++ b/tests/regression_tests/weightwindows/survival_biasing/results_true.dat
@@ -0,0 +1 @@
+386e507008ed3c72c6e1a101aafc01cfaaff2c0b10555558d1eab6332441f7b17264b55002d721151bac2f3e7c1a8aac4c5ed243f5270533d171850f985206ed
\ No newline at end of file
diff --git a/tests/regression_tests/weightwindows/survival_biasing/test.py b/tests/regression_tests/weightwindows/survival_biasing/test.py
new file mode 100644
index 000000000..92604e338
--- /dev/null
+++ b/tests/regression_tests/weightwindows/survival_biasing/test.py
@@ -0,0 +1,81 @@
+import pytest
+import numpy as np
+
+import openmc
+from openmc.stats import Discrete, Point
+
+from tests.testing_harness import HashedPyAPITestHarness
+
+
+@pytest.fixture
+def model():
+    # Material
+    w = openmc.Material(name='Tungsten')
+    w.add_element('W', 1.0)
+    w.set_density('g/cm3', 19.25)
+
+    materials = openmc.Materials([w])
+
+    # Geometry surfaces
+    x0 = openmc.XPlane(x0=0.0, boundary_type='reflective')
+    x1 = openmc.XPlane(x0=160.0, boundary_type='vacuum')
+    y0 = openmc.YPlane(y0=0.0, boundary_type='reflective')
+    y1 = openmc.YPlane(y0=160.0, boundary_type='reflective')
+    z0 = openmc.ZPlane(z0=0.0, boundary_type='reflective')
+    z1 = openmc.ZPlane(z0=160.0, boundary_type='reflective')
+
+    region = +x0 & -x1 & +y0 & -y1 & +z0 & -z1
+    cell = openmc.Cell(region=region, fill=w)
+    root = openmc.Universe(cells=[cell])
+    geometry = openmc.Geometry(root)
+
+    # Source: planar on x=0, mono-directional along +x, 14.1 MeV neutrons
+    space = openmc.stats.CartesianIndependent(
+        openmc.stats.Discrete([0.01], [1.0]),
+        openmc.stats.Uniform(0.0, 160.0),
+        openmc.stats.Uniform(0.0, 160.0),
+    )
+    angle = openmc.stats.Monodirectional((1.0, 0.0, 0.0))
+    energy = openmc.stats.Discrete([14.1e6], [1.0])
+
+    source = openmc.Source(space=space, angle=angle, energy=energy)
+
+    settings = openmc.Settings()
+    settings.run_mode = 'fixed source'
+    settings.batches = 5
+    settings.particles = 50
+    settings.source = source
+
+    model = openmc.Model(geometry=geometry, materials=materials, settings=settings)
+
+    # Mesh tally: 1 cm voxels, flux only
+    mesh = openmc.RegularMesh()
+    mesh.dimension = (20, 20, 1)
+    mesh.lower_left = (0.0, 0.0, 0.0)
+    mesh.upper_right = (160.0, 160.0, 160.0)
+
+    mesh_filter = openmc.MeshFilter(mesh)
+    flux_tally = openmc.Tally(name='flux')
+    flux_tally.filters = [mesh_filter]
+    flux_tally.scores = ['flux']
+    tallies = openmc.Tallies([flux_tally])
+    model.tallies = tallies
+
+    lower_ww_bounds = np.loadtxt('ww_n.txt')
+
+    weight_windows = openmc.WeightWindows(mesh,
+                                          lower_ww_bounds,
+                                          upper_bound_ratio=5.0,
+                                          particle_type='neutron')
+
+    model.settings.weight_windows = weight_windows
+    model.settings.weight_window_checkpoints = {'surface': True,
+                                                'collision': True}
+    model.settings.survival_biasing = True
+
+    return model
+
+
+def test_weight_windows_with_survival_biasing(model):
+    harness = HashedPyAPITestHarness('statepoint.5.h5', model)
+    harness.main()
diff --git a/tests/regression_tests/weightwindows/survival_biasing/ww_n.txt b/tests/regression_tests/weightwindows/survival_biasing/ww_n.txt
new file mode 100644
index 000000000..aea1ff132
--- /dev/null
+++ b/tests/regression_tests/weightwindows/survival_biasing/ww_n.txt
@@ -0,0 +1,400 @@
+4.613596156895709566e-01
+4.611178493390161726e-01
+4.629495791306331709e-01
+4.577259875047255400e-01
+4.739762983490318216e-01
+4.756019909855827565e-01
+4.765919947193469342e-01
+4.693487369606823001e-01
+4.538724931023336850e-01
+4.525844475322012284e-01
+4.482467985982804271e-01
+4.875748950139486837e-01
+5.000000000000000000e-01
+4.770639768898417565e-01
+4.864198865928451299e-01
+4.307755159245372223e-01
+4.363132402495602524e-01
+4.592628723821899905e-01
+4.574378998400603913e-01
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From 2a38dc11ec17d07c84f0d17bf8bcf6e8be398adc Mon Sep 17 00:00:00 2001
From: GuySten <62616591+GuySten@users.noreply.github.com>
Date: Wed, 25 Feb 2026 23:04:00 +0200
Subject: [PATCH 2545/2654] Do not fail CI when coveralls.io is not available.
 (#3835)

---
 .github/workflows/ci.yml | 2 ++
 1 file changed, 2 insertions(+)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index b5b7f3a87..d0382d8d6 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -210,6 +210,7 @@ jobs:
           parallel: true
           flag-name: C++ and Python
           path-to-lcov: coverage.lcov
+          fail-on-error: false
 
   coverage:
     needs: [filter-changes, main]
@@ -222,6 +223,7 @@ jobs:
         with:
           github-token: ${{ secrets.GITHUB_TOKEN }}
           parallel-finished: true
+          fail-on-error: false
 
   ci-pass:
     needs: [filter-changes, main, coverage]

From 54c8e3d6eb5e5b58e11695ae7f2101b96c7f065c Mon Sep 17 00:00:00 2001
From: John Tramm <john.tramm@gmail.com>
Date: Wed, 25 Feb 2026 17:12:18 -0600
Subject: [PATCH 2546/2654] Speedup CI and Improve Reproducibility Across
 Compilers (#3823)

Co-authored-by: John Tramm <jtramm@gmail.com>
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 AGENTS.md                          |  2 +-
 CMakeLists.txt                     | 38 ++++++++++++++++++
 docs/source/devguide/tests.rst     | 11 +++--
 docs/source/usersguide/install.rst | 19 ++++++++-
 include/openmc/output.h            |  2 +
 openmc/lib/__init__.py             |  3 ++
 src/output.cpp                     | 11 +++++
 tests/conftest.py                  | 64 ++++++++++++++++++++++++++++++
 tools/ci/gha-install.py            |  7 +++-
 9 files changed, 150 insertions(+), 7 deletions(-)

diff --git a/AGENTS.md b/AGENTS.md
index 575a693c7..d24eb68da 100644
--- a/AGENTS.md
+++ b/AGENTS.md
@@ -184,7 +184,7 @@ def test_my_feature():
     harness.main()
 ```
 
-**Workflow**: Create `test.py` and `__init__.py` in `tests/regression_tests/my_test/`, run `pytest --update` to generate reference files (`inputs_true.dat`, `results_true.dat`, etc.), then verify with `pytest` without `--update`. Test results should be generated with a debug build (`-DCMAKE_BUILD_TYPE=Debug`)
+**Workflow**: Create `test.py` and `__init__.py` in `tests/regression_tests/my_test/`, run `pytest --update` to generate reference files (`inputs_true.dat`, `results_true.dat`, etc.), then verify with `pytest` without `--update`. Test results should be generated with `-DOPENMC_ENABLE_STRICT_FP=on` to ensure reproducibility across platforms and optimization levels.
 
 **Critical**: When modifying OpenMC code, regenerate affected test references with `pytest --update` and commit updated reference files.
 
diff --git a/CMakeLists.txt b/CMakeLists.txt
index 5e6a64761..10867384b 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -38,6 +38,7 @@ option(OPENMC_USE_LIBMESH     "Enable support for libMesh unstructured mesh tall
 option(OPENMC_USE_MPI         "Enable MPI"                                           OFF)
 option(OPENMC_USE_UWUW        "Enable UWUW"                                          OFF)
 option(OPENMC_FORCE_VENDORED_LIBS "Explicitly use submodules defined in 'vendor'"    OFF)
+option(OPENMC_ENABLE_STRICT_FP "Enable strict FP flags to improve test portability"  OFF)
 
 message(STATUS "OPENMC_USE_OPENMP ${OPENMC_USE_OPENMP}")
 message(STATUS "OPENMC_BUILD_TESTS ${OPENMC_BUILD_TESTS}")
@@ -48,6 +49,7 @@ message(STATUS "OPENMC_USE_LIBMESH ${OPENMC_USE_LIBMESH}")
 message(STATUS "OPENMC_USE_MPI ${OPENMC_USE_MPI}")
 message(STATUS "OPENMC_USE_UWUW ${OPENMC_USE_UWUW}")
 message(STATUS "OPENMC_FORCE_VENDORED_LIBS ${OPENMC_FORCE_VENDORED_LIBS}")
+message(STATUS "OPENMC_ENABLE_STRICT_FP ${OPENMC_ENABLE_STRICT_FP}")
 
 # Warnings for deprecated options
 foreach(OLD_OPT IN ITEMS "openmp" "profile" "coverage" "dagmc" "libmesh")
@@ -89,6 +91,19 @@ if(NOT CMAKE_BUILD_TYPE)
     set(CMAKE_BUILD_TYPE RelWithDebInfo CACHE STRING "Choose the type of build" FORCE)
 endif()
 
+#===============================================================================
+# When STRICT_FP is enabled, remove NDEBUG from RelWithDebInfo flags so that
+# assert() remains active. CMake normally adds -DNDEBUG for both Release and
+# RelWithDebInfo, which disables C/C++ assert() statements.
+#===============================================================================
+
+if(OPENMC_ENABLE_STRICT_FP)
+  foreach(FLAG_VAR CMAKE_CXX_FLAGS_RELWITHDEBINFO CMAKE_C_FLAGS_RELWITHDEBINFO)
+    string(REPLACE "-DNDEBUG" "" ${FLAG_VAR} "${${FLAG_VAR}}")
+    string(REPLACE "/DNDEBUG" "" ${FLAG_VAR} "${${FLAG_VAR}}")
+  endforeach()
+endif()
+
 #===============================================================================
 # OpenMP for shared-memory parallelism (and GPU support some day!)
 #===============================================================================
@@ -193,6 +208,26 @@ endif()
 # Set compile/link flags based on which compiler is being used
 #===============================================================================
 
+# When OPENMC_ENABLE_STRICT_FP is enabled, disable compiler optimizations that change
+# floating-point results relative to -O0, improving cross-platform and
+# cross-optimization-level reproducibility for regression testing:
+#   -ffp-contract=off    Prevents FMA contraction (fused multiply-add changes rounding)
+#   -fno-builtin         Prevents replacing math function calls (pow, exp, log, etc.)
+#                        with builtin versions that may differ from libm
+# By default (OFF), the compiler is free to use all optimizations for best
+# performance.
+if(OPENMC_ENABLE_STRICT_FP)
+  include(CheckCXXCompilerFlag)
+  check_cxx_compiler_flag(-ffp-contract=off SUPPORTS_FP_CONTRACT_OFF)
+  if(SUPPORTS_FP_CONTRACT_OFF)
+    list(APPEND cxxflags -ffp-contract=off)
+  endif()
+  check_cxx_compiler_flag(-fno-builtin SUPPORTS_NO_BUILTIN)
+  if(SUPPORTS_NO_BUILTIN)
+    list(APPEND cxxflags -fno-builtin)
+  endif()
+endif()
+
 # Skip for Visual Studio which has its own configurations through GUI
 if(NOT MSVC)
 
@@ -539,6 +574,9 @@ endif()
 if (OPENMC_ENABLE_COVERAGE)
   target_compile_definitions(libopenmc PRIVATE COVERAGEBUILD)
 endif()
+if (OPENMC_ENABLE_STRICT_FP)
+  target_compile_definitions(libopenmc PRIVATE OPENMC_ENABLE_STRICT_FP)
+endif()
 
 #===============================================================================
 # openmc executable
diff --git a/docs/source/devguide/tests.rst b/docs/source/devguide/tests.rst
index f2e39441a..8627cbde2 100644
--- a/docs/source/devguide/tests.rst
+++ b/docs/source/devguide/tests.rst
@@ -37,6 +37,9 @@ Prerequisites
 - Some tests require `NJOY <https://www.njoy21.io/NJOY2016>`_ to preprocess
   cross section data. The test suite assumes that you have an ``njoy``
   executable available on your :envvar:`PATH`.
+- OpenMC should be compiled with ``-DOPENMC_ENABLE_STRICT_FP=on`` to ensure
+  reproducible floating-point results across platforms and optimization levels.
+  Without this flag, regression tests may not match reference values.
 
 Running Tests
 -------------
@@ -67,9 +70,11 @@ make sure you have satisfied all the prerequisites above. After you have done
 that, consider the following:
 
 - When building OpenMC, make sure you run CMake with
-  ``-DCMAKE_BUILD_TYPE=Debug``. Building with a release build will result in
-  some test failures due to differences in which compiler optimizations are
-  used.
+  ``-DOPENMC_ENABLE_STRICT_FP=on``. This prevents the compiler from applying
+  floating-point optimizations (such as replacing math library calls with
+  builtins or contracting multiply-add into FMA instructions) that can produce
+  bit-level differences across platforms and optimization levels. Any
+  ``CMAKE_BUILD_TYPE`` can be used.
 - Because tallies involve the sum of many floating point numbers, the
   non-associativity of floating point numbers can result in different answers
   especially when the number of threads is high (different order of operations).
diff --git a/docs/source/usersguide/install.rst b/docs/source/usersguide/install.rst
index 64d480179..1f9a07b80 100644
--- a/docs/source/usersguide/install.rst
+++ b/docs/source/usersguide/install.rst
@@ -383,6 +383,20 @@ OPENMC_USE_MPI
   options, please see the `FindMPI.cmake documentation
   <https://cmake.org/cmake/help/latest/module/FindMPI.html>`_.
 
+.. _cmake_strict_fp:
+
+OPENMC_ENABLE_STRICT_FP
+  Disables compiler optimizations that change floating-point results relative to
+  unoptimized builds, improving cross-platform and cross-optimization-level
+  reproducibility. This disables FMA contraction (``-ffp-contract=off``) and
+  compiler builtin replacements of math functions like ``pow``, ``exp``, ``log``
+  (``-fno-builtin``). It also keeps C/C++ assertions active by removing the
+  ``-DNDEBUG`` flag from ``RelWithDebInfo`` builds. Without this flag, these
+  optimizations can produce bit-level differences across platforms, compilers,
+  and optimization levels. This option should be used when running the test
+  suite. By default (off), the compiler is free to use all optimizations for
+  best performance. (Default: off)
+
 OPENMC_FORCE_VENDORED_LIBS
   Forces OpenMC to use the submodules located in the vendor directory, as
   opposed to searching the system for already installed versions of those
@@ -415,7 +429,10 @@ Release
 
 RelWithDebInfo
   (Default if no type is specified.) Enable optimization and debug. On most
-  platforms/compilers, this is equivalent to `-O2 -g`.
+  platforms/compilers, this is equivalent to `-O2 -g`. When
+  :ref:`OPENMC_ENABLE_STRICT_FP <cmake_strict_fp>` is enabled, OpenMC removes the
+  ``-DNDEBUG`` flag that CMake normally adds for this build type, so that
+  C/C++ assertions remain active.
 
 Example of configuring for Debug mode:
 
diff --git a/include/openmc/output.h b/include/openmc/output.h
index 940ea78ce..7fcaa81ba 100644
--- a/include/openmc/output.h
+++ b/include/openmc/output.h
@@ -10,6 +10,8 @@
 
 namespace openmc {
 
+extern "C" const bool STRICT_FP_ENABLED;
+
 //! \brief Display the main title banner as well as information about the
 //! program developers, version, and date/time which the problem was run.
 void title();
diff --git a/openmc/lib/__init__.py b/openmc/lib/__init__.py
index d2a794eb1..9b135370f 100644
--- a/openmc/lib/__init__.py
+++ b/openmc/lib/__init__.py
@@ -49,6 +49,9 @@ def _libmesh_enabled():
 def _uwuw_enabled():
     return c_bool.in_dll(_dll, "UWUW_ENABLED").value
 
+def _strict_fp_enabled():
+    return c_bool.in_dll(_dll, "STRICT_FP_ENABLED").value
+
 
 from .error import *
 from .core import *
diff --git a/src/output.cpp b/src/output.cpp
index 8f9802bb9..e10e47266 100644
--- a/src/output.cpp
+++ b/src/output.cpp
@@ -44,6 +44,12 @@
 
 namespace openmc {
 
+#ifdef OPENMC_ENABLE_STRICT_FP
+const bool STRICT_FP_ENABLED = true;
+#else
+const bool STRICT_FP_ENABLED = false;
+#endif
+
 //==============================================================================
 
 void title()
@@ -317,6 +323,7 @@ void print_build_info()
   std::string coverage(n);
   std::string mcpl(n);
   std::string uwuw(n);
+  std::string strict_fp(n);
 
 #ifdef PHDF5
   phdf5 = y;
@@ -345,6 +352,9 @@ void print_build_info()
 #ifdef OPENMC_UWUW_ENABLED
   uwuw = y;
 #endif
+#ifdef OPENMC_ENABLE_STRICT_FP
+  strict_fp = y;
+#endif
 
   // Wraps macro variables in quotes
 #define STRINGIFY(x) STRINGIFY2(x)
@@ -363,6 +373,7 @@ void print_build_info()
     fmt::print("Coverage testing:      {}\n", coverage);
     fmt::print("Profiling flags:       {}\n", profiling);
     fmt::print("UWUW support:          {}\n", uwuw);
+    fmt::print("Strict FP:             {}\n", strict_fp);
   }
 }
 
diff --git a/tests/conftest.py b/tests/conftest.py
index 71dd5ebf5..8dda9f756 100644
--- a/tests/conftest.py
+++ b/tests/conftest.py
@@ -1,9 +1,51 @@
 import os
+import hashlib
 import pytest
 import openmc
+import openmc.lib
 
 from tests.regression_tests import config as regression_config
 
+# MD5 hash of the official NNDC HDF5 cross_sections.xml file.
+# Generated via: md5sum /path/to/nndc_hdf5/cross_sections.xml
+_NNDC_XS_MD5 = "2d00773012eda670bc9f95d96a31c989"
+
+# Collected during pytest_configure, displayed at start and end of session
+_environment_warnings = []
+
+
+def _check_build_environment():
+    """Check STRICT_FP and cross section data, collecting any warnings."""
+    if not openmc.lib._strict_fp_enabled():
+        _environment_warnings.append(
+            "OpenMC was NOT built with -DOPENMC_ENABLE_STRICT_FP=on. "
+            "Regression test results may not match reference values due to "
+            "compiler floating-point optimizations. Rebuild with "
+            "-DOPENMC_ENABLE_STRICT_FP=on for reproducible results."
+        )
+
+    xs_path = os.environ.get("OPENMC_CROSS_SECTIONS")
+    if not xs_path:
+        _environment_warnings.append(
+            "OPENMC_CROSS_SECTIONS environment variable is not set. "
+            "Regression tests require the NNDC HDF5 cross section data."
+        )
+    elif not os.path.isfile(xs_path):
+        _environment_warnings.append(
+            f"OPENMC_CROSS_SECTIONS ({xs_path}) is not a valid file path. "
+            "Regression tests require the NNDC HDF5 cross section data."
+        )
+    else:
+        with open(xs_path, "rb") as f:
+            md5 = hashlib.md5(f.read()).hexdigest()
+        if md5 != _NNDC_XS_MD5:
+            _environment_warnings.append(
+                f"OPENMC_CROSS_SECTIONS ({xs_path}) does not match the "
+                "official NNDC HDF5 dataset. Regression tests expect the "
+                "NNDC data; results may differ with other cross section "
+                "libraries."
+            )
+
 
 def pytest_addoption(parser):
     parser.addoption('--exe')
@@ -21,6 +63,28 @@ def pytest_configure(config):
         if config.getoption(opt) is not None:
             regression_config[opt] = config.getoption(opt)
 
+    _check_build_environment()
+
+
+def _print_environment_warnings(terminalreporter):
+    """Print environment warnings as a visible section."""
+    if _environment_warnings:
+        terminalreporter.section("OpenMC Environment Warnings")
+        for msg in _environment_warnings:
+            terminalreporter.line(f"WARNING: {msg}", yellow=True)
+        terminalreporter.line("")
+
+
+def pytest_sessionstart(session):
+    """Print environment warnings at the start of the test session."""
+    _print_environment_warnings(session.config.pluginmanager.get_plugin(
+        "terminalreporter"))
+
+
+def pytest_terminal_summary(terminalreporter, exitstatus, config):
+    """Reprint environment warnings at the end so they aren't missed."""
+    _print_environment_warnings(terminalreporter)
+
 
 @pytest.fixture
 def run_in_tmpdir(tmpdir):
diff --git a/tools/ci/gha-install.py b/tools/ci/gha-install.py
index 1cc792f8d..5488b9547 100644
--- a/tools/ci/gha-install.py
+++ b/tools/ci/gha-install.py
@@ -9,8 +9,8 @@ def install(omp=False, mpi=False, phdf5=False, dagmc=False, libmesh=False):
     os.mkdir('build')
     os.chdir('build')
 
-    # Build in debug mode by default with support for MCPL
-    cmake_cmd = ['cmake', '-DCMAKE_BUILD_TYPE=Debug', '-DOPENMC_USE_MCPL=on']
+    # Build in RelWithDebInfo mode by default with support for MCPL
+    cmake_cmd = ['cmake', '-DCMAKE_BUILD_TYPE=RelWithDebInfo', '-DOPENMC_USE_MCPL=on']
 
     # Turn off OpenMP if specified
     if not omp:
@@ -43,6 +43,9 @@ def install(omp=False, mpi=False, phdf5=False, dagmc=False, libmesh=False):
     # Build in coverage mode for coverage testing
     cmake_cmd.append('-DOPENMC_ENABLE_COVERAGE=on')
 
+    # Enable strict FP for cross-platform reproducibility in CI
+    cmake_cmd.append('-DOPENMC_ENABLE_STRICT_FP=on')
+
     # Build and install
     cmake_cmd.append('..')
     print(' '.join(cmake_cmd))

From 8081815b99bc1f13c7ea35da4bb11d82c6db4edd Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Thu, 26 Feb 2026 03:19:02 +0100
Subject: [PATCH 2547/2654] Add RegularMesh.get_indices_at_coords method
 (#3824)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/mesh.py                | 59 +++++++++++++++++++++++++++-
 tests/unit_tests/test_mesh.py | 73 +++++++++++++++++++++++++++++++++++
 2 files changed, 130 insertions(+), 2 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 3f0802d6b..030a57218 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -547,6 +547,10 @@ class StructuredMesh(MeshBase):
     def _grids(self):
         pass
 
+    @abstractmethod
+    def get_indices_at_coords(self, coords: Sequence[float]) -> tuple:
+        pass
+
     @property
     def vertices(self):
         """Return coordinates of mesh vertices in Cartesian coordinates. Also
@@ -1432,6 +1436,47 @@ class RegularMesh(StructuredMesh):
 
         return root_cell, cells
 
+    def get_indices_at_coords(self, coords: Sequence[float]) -> tuple:
+        """Finds the index of the mesh element at the specified coordinates.
+
+        .. versionadded:: 0.15.4
+
+        Parameters
+        ----------
+        coords : Sequence[float]
+            Cartesian coordinates of the point.
+
+        Returns
+        -------
+        tuple
+            Mesh indices matching the dimensionality of the mesh
+
+        """
+        ndim = self.n_dimension
+        if len(coords) < ndim:
+            raise ValueError(
+                f"coords must have at least {ndim} values for a "
+                f"{ndim}D mesh, got {len(coords)}"
+            )
+
+        coords_array = np.array(coords[:ndim])
+        lower_left = np.array(self.lower_left)
+        upper_right = np.array(self.upper_right)
+        dimension = np.array(self.dimension)
+
+        if np.any(coords_array < lower_left) or np.any(coords_array > upper_right):
+            raise ValueError(
+                f"coords {tuple(coords_array)} are outside mesh bounds "
+                f"[{tuple(lower_left)}, {tuple(upper_right)}]"
+            )
+
+        # Calculate spacing for each dimension
+        spacing = (upper_right - lower_left) / dimension
+
+        # Calculate indices for each coordinate
+        indices = np.floor((coords_array - lower_left) / spacing).astype(int)
+        return tuple(int(i) for i in indices[:ndim])
+
 
 def Mesh(*args, **kwargs):
     warnings.warn("Mesh has been renamed RegularMesh. Future versions of "
@@ -1643,6 +1688,11 @@ class RectilinearMesh(StructuredMesh):
 
         return element
 
+    def get_indices_at_coords(self, coords: Sequence[float]) -> tuple:
+        raise NotImplementedError(
+            "get_indices_at_coords is not yet implemented for RectilinearMesh"
+        )
+
 
 class CylindricalMesh(StructuredMesh):
     """A 3D cylindrical mesh
@@ -1835,14 +1885,14 @@ class CylindricalMesh(StructuredMesh):
             self,
             coords: Sequence[float]
         ) -> tuple[int, int, int]:
-        """Finds the index of the mesh voxel at the specified x,y,z coordinates.
+        """Finds the index of the mesh element at the specified coordinates.
 
         .. versionadded:: 0.15.0
 
         Parameters
         ----------
         coords : Sequence[float]
-            The x, y, z axis coordinates
+            Cartesian coordinates of the point.
 
         Returns
         -------
@@ -2478,6 +2528,11 @@ class SphericalMesh(StructuredMesh):
         arr[..., 2] = z + origin[2]
         return arr
 
+    def get_indices_at_coords(self, coords: Sequence[float]) -> tuple:
+        raise NotImplementedError(
+            "get_indices_at_coords is not yet implemented for SphericalMesh"
+        )
+
 
 def require_statepoint_data(func):
     @wraps(func)
diff --git a/tests/unit_tests/test_mesh.py b/tests/unit_tests/test_mesh.py
index c5855a7b0..9d07eda0d 100644
--- a/tests/unit_tests/test_mesh.py
+++ b/tests/unit_tests/test_mesh.py
@@ -920,3 +920,76 @@ def test_filter_time_mesh(run_in_tmpdir):
         f"Collision vs tracklength tallies disagree: chi2={chi2_stat:.2f} "
         f">= {crit=:.2f} ({dof=}, {alpha=})"
     )
+
+
+def test_regular_mesh_get_indices_at_coords():
+    """Test get_indices_at_coords method for RegularMesh"""
+    # Create a 10x10x10 mesh from (0,0,0) to (1,1,1)
+    # Each voxel is 0.1 x 0.1 x 0.1
+    mesh = openmc.RegularMesh()
+    mesh.lower_left = (0, 0, 0)
+    mesh.upper_right = (1, 1, 1)
+    mesh.dimension = [10, 10, 10]
+
+    # Test lower-left corner maps to first voxel (0, 0, 0)
+    assert mesh.get_indices_at_coords([0.0, 0.0, 0.0]) == (0, 0, 0)
+
+    # Test centroid of first voxel
+    # Voxel 0 spans [0.0, 0.1], so centroid is at 0.05
+    assert mesh.get_indices_at_coords([0.05, 0.05, 0.05]) == (0, 0, 0)
+
+    # Test centroid of last voxel maps correctly
+    # Voxel 9 spans [0.9, 1.0], so centroid is at 0.95
+    assert mesh.get_indices_at_coords([0.95, 0.95, 0.95]) == (9, 9, 9)
+
+    # Test a middle voxel
+    # Voxel 4 spans [0.4, 0.5], so 0.45 should map to it
+    assert mesh.get_indices_at_coords([0.45, 0.45, 0.45]) == (4, 4, 4)
+
+    # Test mixed indices
+    assert mesh.get_indices_at_coords([0.05, 0.45, 0.95]) == (0, 4, 9)
+    assert mesh.get_indices_at_coords([0.95, 0.05, 0.45]) == (9, 0, 4)
+
+    # Test coordinates outside mesh bounds raise ValueError
+    with pytest.raises(ValueError):
+        mesh.get_indices_at_coords([-0.5, 0.5, 0.5])
+    with pytest.raises(ValueError):
+        mesh.get_indices_at_coords([1.5, 0.5, 0.5])
+    with pytest.raises(ValueError):
+        mesh.get_indices_at_coords([0.5, -0.5, 0.5])
+    with pytest.raises(ValueError):
+        mesh.get_indices_at_coords([0.5, 1.5, 0.5])
+    with pytest.raises(ValueError):
+        mesh.get_indices_at_coords([0.5, 0.5, -0.5])
+    with pytest.raises(ValueError):
+        mesh.get_indices_at_coords([0.5, 0.5, 1.5])
+
+    # Test that results match expected dimensionality (3D mesh returns 3-tuple)
+    result = mesh.get_indices_at_coords([0.5, 0.5, 0.5])
+    assert isinstance(result, tuple)
+    assert len(result) == 3
+
+    # Test that indices can be used directly with centroids array
+    idx = mesh.get_indices_at_coords([0.95, 0.95, 0.95])
+    centroid = mesh.centroids[idx]
+    np.testing.assert_array_almost_equal(centroid, [0.95, 0.95, 0.95])
+
+    # Test with a 2D mesh
+    mesh_2d = openmc.RegularMesh()
+    mesh_2d.lower_left = (0, 0)
+    mesh_2d.upper_right = (1, 1)
+    mesh_2d.dimension = [10, 10]
+    result_2d = mesh_2d.get_indices_at_coords([0.5, 0.5, 999.0])
+    assert isinstance(result_2d, tuple)
+    assert len(result_2d) == 2
+    assert result_2d == (5, 5)
+
+    # Test with a 1D mesh
+    mesh_1d = openmc.RegularMesh()
+    mesh_1d.lower_left = [0]
+    mesh_1d.upper_right = [1]
+    mesh_1d.dimension = [10]
+    result_1d = mesh_1d.get_indices_at_coords([0.5, 999.0, 999.0])
+    assert isinstance(result_1d, tuple)
+    assert len(result_1d) == 1
+    assert result_1d == (5,)

From 3ba8a9f078896ebab9db184d4e2b63ea127f24c0 Mon Sep 17 00:00:00 2001
From: GuySten <62616591+GuySten@users.noreply.github.com>
Date: Thu, 26 Feb 2026 04:44:17 +0200
Subject: [PATCH 2548/2654] Correctly score pulse height tally when no cell
 filter is present (#3821)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 include/openmc/tallies/tally.h |  2 +-
 src/tallies/tally.cpp          | 30 ++++++--------
 src/tallies/tally_scoring.cpp  | 75 +++++++++++++++-------------------
 3 files changed, 48 insertions(+), 59 deletions(-)

diff --git a/include/openmc/tallies/tally.h b/include/openmc/tallies/tally.h
index 6161f823b..66e6ff764 100644
--- a/include/openmc/tallies/tally.h
+++ b/include/openmc/tallies/tally.h
@@ -212,7 +212,7 @@ extern vector<int> active_collision_tallies;
 extern vector<int> active_meshsurf_tallies;
 extern vector<int> active_surface_tallies;
 extern vector<int> active_pulse_height_tallies;
-extern vector<int> pulse_height_cells;
+extern vector<int32_t> pulse_height_cells;
 extern vector<double> time_grid;
 
 } // namespace model
diff --git a/src/tallies/tally.cpp b/src/tallies/tally.cpp
index 32566721f..13225adca 100644
--- a/src/tallies/tally.cpp
+++ b/src/tallies/tally.cpp
@@ -2,6 +2,7 @@
 
 #include "openmc/array.h"
 #include "openmc/capi.h"
+#include "openmc/cell.h"
 #include "openmc/constants.h"
 #include "openmc/container_util.h"
 #include "openmc/error.h"
@@ -62,7 +63,7 @@ vector<int> active_collision_tallies;
 vector<int> active_meshsurf_tallies;
 vector<int> active_surface_tallies;
 vector<int> active_pulse_height_tallies;
-vector<int> pulse_height_cells;
+vector<int32_t> pulse_height_cells;
 vector<double> time_grid;
 } // namespace model
 
@@ -632,29 +633,24 @@ void Tally::set_scores(const vector<std::string>& scores)
         estimator_ = TallyEstimator::COLLISION;
       break;
 
-    case SCORE_PULSE_HEIGHT:
+    case SCORE_PULSE_HEIGHT: {
       if (non_cell_energy_present) {
         fatal_error("Pulse-height tallies are not compatible with filters "
                     "other than CellFilter and EnergyFilter");
       }
       type_ = TallyType::PULSE_HEIGHT;
-
-      // Collecting indices of all cells covered by the filters in the pulse
-      // height tally in global variable pulse_height_cells
-      for (const auto& i_filt : filters_) {
-        auto cell_filter =
-          dynamic_cast<CellFilter*>(model::tally_filters[i_filt].get());
-        if (cell_filter) {
-          const auto& cells = cell_filter->cells();
-          for (int i = 0; i < cell_filter->n_bins(); i++) {
-            int cell_index = cells[i];
-            if (!contains(model::pulse_height_cells, cell_index)) {
-              model::pulse_height_cells.push_back(cell_index);
-            }
-          }
-        }
+      // Collect all unique cell indices covered by this tally.
+      // If no CellFilter is present, all cells in the geometry are scored.
+      const auto* cell_filter_ptr = get_filter<CellFilter>();
+      int n = cell_filter_ptr ? cell_filter_ptr->n_bins()
+                              : static_cast<int>(model::cells.size());
+      for (int i = 0; i < n; ++i) {
+        int32_t cell_index = cell_filter_ptr ? cell_filter_ptr->cells()[i] : i;
+        if (!contains(model::pulse_height_cells, cell_index))
+          model::pulse_height_cells.push_back(cell_index);
       }
       break;
+    }
 
     case SCORE_IFP_TIME_NUM:
     case SCORE_IFP_BETA_NUM:
diff --git a/src/tallies/tally_scoring.cpp b/src/tallies/tally_scoring.cpp
index fb851f783..cc7b16f44 100644
--- a/src/tallies/tally_scoring.cpp
+++ b/src/tallies/tally_scoring.cpp
@@ -2672,56 +2672,49 @@ void score_pulse_height_tally(Particle& p, const vector<int>& tallies)
   for (auto i_tally : tallies) {
     auto& tally {*model::tallies[i_tally]};
 
-    // Determine all CellFilter in the tally
-    for (const auto& filter : tally.filters()) {
-      auto cell_filter =
-        dynamic_cast<CellFilter*>(model::tally_filters[filter].get());
-      if (cell_filter != nullptr) {
+    // Find CellFilter in the tally (if any) to determine cells to loop over
+    const auto* cell_filter = tally.get_filter<CellFilter>();
+    const auto& cells =
+      cell_filter ? cell_filter->cells() : model::pulse_height_cells;
 
-        const auto& cells = cell_filter->cells();
-        // Loop over all cells in the CellFilter
-        for (auto cell_index = 0; cell_index < cells.size(); ++cell_index) {
-          int cell_id = cells[cell_index];
+    for (auto cell_id : cells) {
+      // Temporarily change cell of particle
+      p.n_coord() = 1;
+      p.coord(0).cell() = cell_id;
 
-          // Temporarily change cell of particle
-          p.n_coord() = 1;
-          p.coord(0).cell() = cell_id;
+      // Determine index of cell in model::pulse_height_cells
+      auto it = std::find(model::pulse_height_cells.begin(),
+        model::pulse_height_cells.end(), cell_id);
+      int index = std::distance(model::pulse_height_cells.begin(), it);
 
-          // Determine index of cell in model::pulse_height_cells
-          auto it = std::find(model::pulse_height_cells.begin(),
-            model::pulse_height_cells.end(), cell_id);
-          int index = std::distance(model::pulse_height_cells.begin(), it);
+      // Temporarily change energy of particle to pulse-height value
+      p.E_last() = p.pht_storage()[index];
 
-          // Temporarily change energy of particle to pulse-height value
-          p.E_last() = p.pht_storage()[index];
+      // Initialize an iterator over valid filter bin combinations. If
+      // there are no valid combinations, use a continue statement to ensure
+      // we skip the assume_separate break below.
+      auto filter_iter = FilterBinIter(tally, p);
+      auto end = FilterBinIter(tally, true, &p.filter_matches());
+      if (filter_iter == end)
+        continue;
 
-          // Initialize an iterator over valid filter bin combinations. If
-          // there are no valid combinations, use a continue statement to ensure
-          // we skip the assume_separate break below.
-          auto filter_iter = FilterBinIter(tally, p);
-          auto end = FilterBinIter(tally, true, &p.filter_matches());
-          if (filter_iter == end)
-            continue;
+      // Loop over filter bins.
+      for (; filter_iter != end; ++filter_iter) {
+        auto filter_index = filter_iter.index_;
+        auto filter_weight = filter_iter.weight_;
 
-          // Loop over filter bins.
-          for (; filter_iter != end; ++filter_iter) {
-            auto filter_index = filter_iter.index_;
-            auto filter_weight = filter_iter.weight_;
-
-            // Loop over scores.
-            for (auto score_index = 0; score_index < tally.scores_.size();
-                 ++score_index) {
+        // Loop over scores.
+        for (auto score_index = 0; score_index < tally.scores_.size();
+             ++score_index) {
 #pragma omp atomic
-              tally.results_(filter_index, score_index, TallyResult::VALUE) +=
-                filter_weight;
-            }
-          }
-
-          // Reset all the filter matches for the next tally event.
-          for (auto& match : p.filter_matches())
-            match.bins_present_ = false;
+          tally.results_(filter_index, score_index, TallyResult::VALUE) +=
+            filter_weight;
         }
       }
+
+      // Reset all the filter matches for the next tally event.
+      for (auto& match : p.filter_matches())
+        match.bins_present_ = false;
     }
     // Restore cell/energy
     p.n_coord() = orig_n_coord;

From 6050c789cab4e074c2c4bf9e1120d3ce97ebe4fc Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Thu, 26 Feb 2026 04:14:44 +0100
Subject: [PATCH 2549/2654] making use of endf.get_evaluations (#3819)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/data/endf.py    | 28 +---------------------------
 openmc/data/neutron.py |  4 +---
 2 files changed, 2 insertions(+), 30 deletions(-)

diff --git a/openmc/data/endf.py b/openmc/data/endf.py
index e163ad4c2..c50431dc7 100644
--- a/openmc/data/endf.py
+++ b/openmc/data/endf.py
@@ -12,7 +12,7 @@ import re
 
 from .data import gnds_name
 from .function import Tabulated1D
-from endf.material import _LIBRARY, _SUBLIBRARY
+from endf.material import _LIBRARY, _SUBLIBRARY, get_materials as get_evaluations
 from endf.incident_neutron import SUM_RULES
 from endf.records import (
     float_endf,
@@ -39,32 +39,6 @@ def get_tab1_record(file_obj):
     return params, Tabulated1D(tab.x, tab.y, tab.breakpoints, tab.interpolation)
 
 
-def get_evaluations(filename):
-    """Return a list of all evaluations within an ENDF file.
-
-    Parameters
-    ----------
-    filename : str
-        Path to ENDF-6 formatted file
-
-    Returns
-    -------
-    list
-        A list of :class:`openmc.data.endf.Evaluation` instances.
-
-    """
-    evaluations = []
-    with open(str(filename), 'r') as fh:
-        while True:
-            pos = fh.tell()
-            line = fh.readline()
-            if line[66:70] == '  -1':
-                break
-            fh.seek(pos)
-            evaluations.append(Evaluation(fh))
-    return evaluations
-
-
 class Evaluation:
     """ENDF material evaluation with multiple files/sections
 
diff --git a/openmc/data/neutron.py b/openmc/data/neutron.py
index 71927cbed..492cdd7f3 100644
--- a/openmc/data/neutron.py
+++ b/openmc/data/neutron.py
@@ -805,9 +805,7 @@ class IncidentNeutron(EqualityMixin):
             # Helper function to get a cross section from an ENDF file on a
             # given energy grid
             def get_file3_xs(ev, mt, E):
-                file_obj = StringIO(ev.section[3, mt])
-                get_head_record(file_obj)
-                _, xs = get_tab1_record(file_obj)
+                xs = ev.section_data[3, mt]['sigma']
                 return xs(E)
 
             heating_local = Reaction(901)

From 322b741fdebe7f2faaeb62e721e1f5de74611039 Mon Sep 17 00:00:00 2001
From: GuySten <62616591+GuySten@users.noreply.github.com>
Date: Thu, 26 Feb 2026 09:30:08 +0200
Subject: [PATCH 2550/2654] Support Mixture distributions in
 combine_distributions (#3784)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/stats/univariate.py     | 31 ++++++++++++++++++++++++-------
 tests/unit_tests/test_stats.py | 17 +++++++++++++++++
 2 files changed, 41 insertions(+), 7 deletions(-)

diff --git a/openmc/stats/univariate.py b/openmc/stats/univariate.py
index c6ce217fb..a70737a34 100644
--- a/openmc/stats/univariate.py
+++ b/openmc/stats/univariate.py
@@ -2065,31 +2065,48 @@ class Mixture(Univariate):
 
 
 def combine_distributions(
-    dists: Sequence[Discrete | Tabular],
+    dists: Sequence[Discrete | Tabular | Mixture],
     probs: Sequence[float]
 ):
     """Combine distributions with specified probabilities
 
     This function can be used to combine multiple instances of
-    :class:`~openmc.stats.Discrete` and `~openmc.stats.Tabular`. Multiple
-    discrete distributions are merged into a single distribution and the
-    remainder of the distributions are put into a :class:`~openmc.stats.Mixture`
-    distribution.
+    :class:`~openmc.stats.Discrete`, :class:`~openmc.stats.Tabular` and
+    :class:`~openmc.stats.Mixture` of them. Multiple discrete distributions are
+    merged into a single distribution and the remainder of the distributions are
+    put into a :class:`~openmc.stats.Mixture` distribution.
 
     .. versionadded:: 0.13.1
 
     Parameters
     ----------
-    dists : sequence of openmc.stats.Discrete or openmc.stats.Tabular
+    dists : sequence of openmc.stats.Discrete, openmc.stats.Tabular, or openmc.stats.Mixture
         Distributions to combine
     probs : sequence of float
         Probability (or intensity) of each distribution
 
     """
+    new_probs = []
+    new_dists = []
     for i, dist in enumerate(dists):
-        cv.check_type(f'dists[{i}]', dist, (Discrete, Tabular))
+        cv.check_type(f'dists[{i}]', dist, (Discrete, Tabular, Mixture))
         cv.check_type(f'probs[{i}]', probs[i], Real)
         cv.check_greater_than(f'probs[{i}]', probs[i], 0.0)
+        if isinstance(dist, Mixture):
+            if dist.bias is not None:
+                warn("A Mixture distribution with a bias specified was passed "
+                     "to combine_distributions. The bias will be discarded "
+                     "during flattening.")
+            for j, d in enumerate(dist.distribution):
+                cv.check_type(f'dists[{i}].distribution[{j}]', d, (Discrete, Tabular))
+                new_probs.append(probs[i]*dist.probability[j])
+                new_dists.append(d)
+        else:
+            new_probs.append(probs[i])
+            new_dists.append(dist)
+
+    probs = new_probs
+    dists = new_dists
 
     # Get list of discrete/continuous distribution indices
     discrete_index = [i for i, d in enumerate(dists) if isinstance(d, Discrete)]
diff --git a/tests/unit_tests/test_stats.py b/tests/unit_tests/test_stats.py
index 71679024f..669d5b74c 100644
--- a/tests/unit_tests/test_stats.py
+++ b/tests/unit_tests/test_stats.py
@@ -835,6 +835,23 @@ def test_combine_distributions():
     assert isinstance(mixed, openmc.stats.Mixture)
     assert len(mixed.distribution) == 2
     assert len(mixed.probability) == 2
+    assert mixed == openmc.stats.combine_distributions([mixed], [1.0])
+
+    # Mixture combined with another distribution: probabilities should be
+    # correctly scaled when the Mixture is flattened
+    d_a = openmc.stats.delta_function(1.0)
+    d_b = openmc.stats.delta_function(2.0)
+    m = openmc.stats.Mixture([0.3, 0.7], [d_a, d_b])
+    extra = openmc.stats.delta_function(3.0)
+    result = openmc.stats.combine_distributions([m, extra], [0.5, 0.5])
+    assert isinstance(result, openmc.stats.Discrete)
+    assert result.x == pytest.approx([1.0, 2.0, 3.0])
+    assert result.p == pytest.approx([0.5*0.3, 0.5*0.7, 0.5])
+
+    # Passing a Mixture with a bias should warn that the bias is dropped
+    biased_m = openmc.stats.Mixture([0.5, 0.5], [d_a, d_b], bias=[0.8, 0.2])
+    with pytest.warns(UserWarning, match='bias'):
+        openmc.stats.combine_distributions([biased_m], [1.0])
 
     # Single tabular returns a tabular distribution with scaled probabilities
     t_single = openmc.stats.Tabular([0.0, 1.0], [2.0, 0.0])

From 17d4164242f3e7692654827e410d8293901c9285 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 26 Feb 2026 02:14:28 -0600
Subject: [PATCH 2551/2654] Update copyright to 2026 (#3834)

---
 LICENSE                 | 2 +-
 docs/source/conf.py     | 2 +-
 docs/source/license.rst | 2 +-
 man/man1/openmc.1       | 2 +-
 src/output.cpp          | 4 ++--
 5 files changed, 6 insertions(+), 6 deletions(-)

diff --git a/LICENSE b/LICENSE
index 8a60b66bf..b5dfd1748 100644
--- a/LICENSE
+++ b/LICENSE
@@ -1,4 +1,4 @@
-Copyright (c) 2011-2025 Massachusetts Institute of Technology, UChicago Argonne
+Copyright (c) 2011-2026 Massachusetts Institute of Technology, UChicago Argonne
 LLC, and OpenMC contributors
 
 Permission is hereby granted, free of charge, to any person obtaining a copy of
diff --git a/docs/source/conf.py b/docs/source/conf.py
index 826c20022..3a2e7fb93 100644
--- a/docs/source/conf.py
+++ b/docs/source/conf.py
@@ -62,7 +62,7 @@ master_doc = 'index'
 
 # General information about the project.
 project = 'OpenMC'
-copyright = '2011-2025, Massachusetts Institute of Technology, UChicago Argonne LLC, and OpenMC contributors'
+copyright = '2011-2026, Massachusetts Institute of Technology, UChicago Argonne LLC, and OpenMC contributors'
 
 # The version info for the project you're documenting, acts as replacement for
 # |version| and |release|, also used in various other places throughout the
diff --git a/docs/source/license.rst b/docs/source/license.rst
index 0a90a7441..1ec9fc04a 100644
--- a/docs/source/license.rst
+++ b/docs/source/license.rst
@@ -4,7 +4,7 @@
 License Agreement
 =================
 
-Copyright © 2011-2025 Massachusetts Institute of Technology, UChicago Argonne
+Copyright © 2011-2026 Massachusetts Institute of Technology, UChicago Argonne
 LLC, and OpenMC contributors
 
 Permission is hereby granted, free of charge, to any person obtaining a copy of
diff --git a/man/man1/openmc.1 b/man/man1/openmc.1
index 30e8b2ce4..3205b4340 100644
--- a/man/man1/openmc.1
+++ b/man/man1/openmc.1
@@ -66,7 +66,7 @@ Indicates the default path to an HDF5 file that contains multi-group cross
 section libraries if the user has not specified the <cross_sections> tag in
 .I materials.xml\fP.
 .SH LICENSE
-Copyright \(co 2011-2025 Massachusetts Institute of Technology, UChicago
+Copyright \(co 2011-2026 Massachusetts Institute of Technology, UChicago
 Argonne LLC, and OpenMC contributors.
 .PP
 Permission is hereby granted, free of charge, to any person obtaining a copy of
diff --git a/src/output.cpp b/src/output.cpp
index e10e47266..c66c313dc 100644
--- a/src/output.cpp
+++ b/src/output.cpp
@@ -81,7 +81,7 @@ void title()
   // Write version information
   fmt::print(
     "                 | The OpenMC Monte Carlo Code\n"
-    "       Copyright | 2011-2025 MIT, UChicago Argonne LLC, and contributors\n"
+    "       Copyright | 2011-2026 MIT, UChicago Argonne LLC, and contributors\n"
     "         License | https://docs.openmc.org/en/latest/license.html\n"
     "         Version | {}.{}.{}{}{}\n",
     VERSION_MAJOR, VERSION_MINOR, VERSION_RELEASE, VERSION_DEV ? "-dev" : "",
@@ -301,7 +301,7 @@ void print_version()
     fmt::print("OpenMC version {}.{}.{}{}{}\n", VERSION_MAJOR, VERSION_MINOR,
       VERSION_RELEASE, VERSION_DEV ? "-dev" : "", VERSION_COMMIT_COUNT);
     fmt::print("Commit hash: {}\n", VERSION_COMMIT_HASH);
-    fmt::print("Copyright (c) 2011-2025 MIT, UChicago Argonne LLC, and "
+    fmt::print("Copyright (c) 2011-2026 MIT, UChicago Argonne LLC, and "
                "contributors\nMIT/X license at "
                "<https://docs.openmc.org/en/latest/license.html>\n");
   }

From 3b5ac08bfb754ef93ff3db12fcda2ecbd0dbe464 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 26 Feb 2026 11:26:39 -0600
Subject: [PATCH 2552/2654] Skip DAGMC lost particles test (#3836)

---
 tests/unit_tests/dagmc/test_lost_particles.py | 1 +
 1 file changed, 1 insertion(+)

diff --git a/tests/unit_tests/dagmc/test_lost_particles.py b/tests/unit_tests/dagmc/test_lost_particles.py
index 931a37f64..48b6cf165 100644
--- a/tests/unit_tests/dagmc/test_lost_particles.py
+++ b/tests/unit_tests/dagmc/test_lost_particles.py
@@ -66,6 +66,7 @@ def broken_dagmc_model(request):
     return model
 
 
+@pytest.mark.skip(reason="Test causes CI to hang intermittently")
 def test_lost_particles(run_in_tmpdir, broken_dagmc_model):
     broken_dagmc_model.export_to_xml()
     # ensure that particles will be lost when cell intersections can't be found

From 1d9a8f542b2b4fc588f0961c59ea674e4c6ca5ca Mon Sep 17 00:00:00 2001
From: Micah Gale <mgale@fastmail.com>
Date: Thu, 26 Feb 2026 18:18:04 -0600
Subject: [PATCH 2553/2654] Add Python 3.14 to testing matrix and drop Python
 3.11 (#3642)

Co-authored-by: GuySten <guyste@post.bgu.ac.il>
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 .github/workflows/ci.yml | 19 +++++++++++--------
 pyproject.toml           |  4 ++--
 tools/ci/gha-install.sh  |  2 +-
 3 files changed, 14 insertions(+), 11 deletions(-)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index d0382d8d6..3e232dce0 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -43,7 +43,7 @@ jobs:
     runs-on: ubuntu-22.04
     strategy:
       matrix:
-        python-version: ["3.11"]
+        python-version: ["3.12"]
         mpi: [n, y]
         omp: [n, y]
         dagmc: [n]
@@ -51,26 +51,29 @@ jobs:
         event: [n]
 
         include:
-          - python-version: "3.12"
-            omp: n
-            mpi: n
           - python-version: "3.13"
             omp: n
             mpi: n
+          - python-version: "3.14"
+            omp: n
+            mpi: n
+          - python-version: "3.14t"
+            omp: n
+            mpi: n
           - dagmc: y
-            python-version: "3.11"
+            python-version: "3.12"
             mpi: y
             omp: y
           - libmesh: y
-            python-version: "3.11"
+            python-version: "3.12"
             mpi: y
             omp: y
           - libmesh: y
-            python-version: "3.11"
+            python-version: "3.12"
             mpi: n
             omp: y
           - event: y
-            python-version: "3.11"
+            python-version: "3.12"
             omp: y
             mpi: n
     name: "Python ${{ matrix.python-version }} (omp=${{ matrix.omp }},
diff --git a/pyproject.toml b/pyproject.toml
index 21342155a..b2b5ff5e4 100644
--- a/pyproject.toml
+++ b/pyproject.toml
@@ -9,7 +9,7 @@ authors = [
 ]
 description = "OpenMC"
 dynamic = ["version"]
-requires-python = ">=3.11"
+requires-python = ">=3.12"
 license = {file = "LICENSE"}
 classifiers = [
     "Development Status :: 4 - Beta",
@@ -21,9 +21,9 @@ classifiers = [
     "Topic :: Scientific/Engineering",
     "Programming Language :: C++",
     "Programming Language :: Python :: 3",
-    "Programming Language :: Python :: 3.11",
     "Programming Language :: Python :: 3.12",
     "Programming Language :: Python :: 3.13",
+    "Programming Language :: Python :: 3.14",
 ]
 dependencies = [
     "numpy",
diff --git a/tools/ci/gha-install.sh b/tools/ci/gha-install.sh
index f405baedd..4cf62afbb 100755
--- a/tools/ci/gha-install.sh
+++ b/tools/ci/gha-install.sh
@@ -35,7 +35,7 @@ if [[ $MPI == 'y' ]]; then
     export HDF5_MPI=ON
     export HDF5_DIR=/usr/lib/x86_64-linux-gnu/hdf5/mpich
     # Install h5py without build isolation to pick up already installed mpi4py
-    pip install Cython pkgconfig
+    pip install setuptools Cython pkgconfig
     pip install --no-build-isolation --no-binary=h5py h5py
 fi
 

From b3788f11e161171e842766a7b354afb4ad3f657a Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 27 Feb 2026 05:56:00 -0600
Subject: [PATCH 2554/2654] Use clang-format version 18 for CI format checks
 (#3840)

---
 .github/pull_request_template.md    | 2 +-
 .github/workflows/format-check.yml  | 2 +-
 AGENTS.md                           | 4 ++--
 docs/source/devguide/styleguide.rst | 2 +-
 include/openmc/volume_calc.h        | 2 +-
 src/mgxs.cpp                        | 2 +-
 6 files changed, 7 insertions(+), 7 deletions(-)

diff --git a/.github/pull_request_template.md b/.github/pull_request_template.md
index 68a6e692a..958cc21fd 100644
--- a/.github/pull_request_template.md
+++ b/.github/pull_request_template.md
@@ -13,7 +13,7 @@ Fixes # (issue)
 # Checklist
 
 - [ ] I have performed a self-review of my own code
-- [ ] I have run [clang-format](https://docs.openmc.org/en/latest/devguide/styleguide.html#automatic-formatting) (version 15) on any C++ source files (if applicable)
+- [ ] I have run [clang-format](https://docs.openmc.org/en/latest/devguide/styleguide.html#automatic-formatting) (version 18) on any C++ source files (if applicable)
 - [ ] I have followed the [style guidelines](https://docs.openmc.org/en/latest/devguide/styleguide.html#python) for Python source files (if applicable)
 - [ ] I have made corresponding changes to the documentation (if applicable)
 - [ ] I have added tests that prove my fix is effective or that my feature works (if applicable)
diff --git a/.github/workflows/format-check.yml b/.github/workflows/format-check.yml
index 42b28b2cd..ddb29be5a 100644
--- a/.github/workflows/format-check.yml
+++ b/.github/workflows/format-check.yml
@@ -31,7 +31,7 @@ jobs:
           style: file
           files-changed-only: true
           tidy-checks: '-*'
-          version: '15' # clang-format version
+          version: '18' # clang-format version
           format-review: ${{ github.event_name == 'pull_request' && contains(github.event.pull_request.labels.*.name, 'cpp-format-suggest') }}
           passive-reviews: ${{ github.event_name == 'pull_request' && contains(github.event.pull_request.labels.*.name, 'cpp-format-suggest') }}
           file-annotations: true
diff --git a/AGENTS.md b/AGENTS.md
index d24eb68da..0ff2abbdc 100644
--- a/AGENTS.md
+++ b/AGENTS.md
@@ -229,7 +229,7 @@ When modifying C++ public APIs, update corresponding ctypes signatures in `openm
 - **Include order**: Related header first, then C/C++ stdlib, third-party libs, local headers
 - **Comments**: C++-style (`//`) only, never C-style (`/* */`)
 - **Standard**: C++17 features allowed
-- **Formatting**: Run `clang-format` (version 15) before committing; install via `tools/dev/install-commit-hooks.sh`
+- **Formatting**: Run `clang-format` (version 18) before committing; install via `tools/dev/install-commit-hooks.sh`
 
 ### Python Style
 - **PEP8** compliant
@@ -295,4 +295,4 @@ Check for optional features:
 2. **ID conflicts**: Python objects with duplicate IDs trigger `IDWarning`, use `reset_auto_ids()` between tests
 3. **MPI builds**: Code must work with and without MPI; use `#ifdef OPENMC_MPI` guards
 4. **Path handling**: Use `pathlib.Path` in new Python code, not `os.path`
-5. **Clang-format version**: CI uses version 15; other versions may produce different formatting
+5. **Clang-format version**: CI uses version 18; other versions may produce different formatting
diff --git a/docs/source/devguide/styleguide.rst b/docs/source/devguide/styleguide.rst
index 2c882b034..a5599566e 100644
--- a/docs/source/devguide/styleguide.rst
+++ b/docs/source/devguide/styleguide.rst
@@ -30,7 +30,7 @@ whenever a file is saved. For example, `Visual Studio Code
 support for running clang-format.
 
 .. note::
-    OpenMC's CI uses `clang-format` version 15. A different version of `clang-format`
+    OpenMC's CI uses `clang-format` version 18. A different version of `clang-format`
     may produce different line changes and as a result fail the CI test.
 
 Miscellaneous
diff --git a/include/openmc/volume_calc.h b/include/openmc/volume_calc.h
index 9d3f1d026..ef75ec065 100644
--- a/include/openmc/volume_calc.h
+++ b/include/openmc/volume_calc.h
@@ -34,7 +34,7 @@ public:
     vector<double> atoms;       //!< Number of atoms for each nuclide
     vector<double> uncertainty; //!< Uncertainty on number of atoms
     int iterations; //!< Number of iterations needed to obtain the results
-  };                // Results for a single domain
+  }; // Results for a single domain
 
   // Constructors
   VolumeCalculation(pugi::xml_node node);
diff --git a/src/mgxs.cpp b/src/mgxs.cpp
index 65a7a0c55..a0fe4060d 100644
--- a/src/mgxs.cpp
+++ b/src/mgxs.cpp
@@ -365,7 +365,7 @@ Mgxs::Mgxs(const std::string& in_name, const vector<double>& mat_kTs,
           }
         }
       } // end switch
-    }   // end microscopic temperature loop
+    } // end microscopic temperature loop
 
     // Now combine the microscopic data at each relevant temperature
     // We will do this by treating the multiple temperatures of a nuclide as

From 83a7b36add42f1cdbf71e2d0ca546cd96d4899c7 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Sun, 1 Mar 2026 13:52:51 -0600
Subject: [PATCH 2555/2654] Speed up Docker build (#3841)

Co-authored-by: Jonathan Shimwell <drshimwell@gmail.com>
---
 Dockerfile | 29 ++++++++---------------------
 1 file changed, 8 insertions(+), 21 deletions(-)

diff --git a/Dockerfile b/Dockerfile
index a163a2810..67cd37c59 100644
--- a/Dockerfile
+++ b/Dockerfile
@@ -33,11 +33,6 @@ ARG build_libmesh
 # Set default value of HOME to /root
 ENV HOME=/root
 
-# Embree variables
-ENV EMBREE_TAG='v4.3.1'
-ENV EMBREE_REPO='https://github.com/embree/embree'
-ENV EMBREE_INSTALL_DIR=$HOME/EMBREE/
-
 # MOAB variables
 ENV MOAB_TAG='5.5.1'
 ENV MOAB_REPO='https://bitbucket.org/fathomteam/moab/'
@@ -61,7 +56,7 @@ ENV LIBMESH_INSTALL_DIR=$HOME/LIBMESH
 ENV NJOY_REPO='https://github.com/njoy/NJOY2016'
 
 # Setup environment variables for Docker image
-ENV LD_LIBRARY_PATH=${DAGMC_INSTALL_DIR}/lib:$LD_LIBRARY_PATH \
+ENV LD_LIBRARY_PATH=${DAGMC_INSTALL_DIR}/lib:${LD_LIBRARY_PATH:-} \
     OPENMC_ENDF_DATA=/root/endf-b-vii.1 \
     DEBIAN_FRONTEND=noninteractive
 
@@ -71,7 +66,7 @@ RUN apt-get update -y && \
     apt-get install -y \
         python3-pip python-is-python3 wget git build-essential cmake \
         mpich libmpich-dev libhdf5-serial-dev libhdf5-mpich-dev \
-        libpng-dev python3-venv && \
+        libpng-dev libpugixml-dev libfmt-dev catch2 python3-venv && \
     apt-get autoremove
 
 # create virtual enviroment to avoid externally managed environment error
@@ -94,22 +89,12 @@ RUN cd $HOME \
 
 RUN if [ "$build_dagmc" = "on" ]; then \
         # Install addition packages required for DAGMC
-        apt-get -y install libeigen3-dev libnetcdf-dev libtbb-dev libglfw3-dev \
+        apt-get -y install \
+            libeigen3-dev libnetcdf-dev libtbb-dev libglfw3-dev libembree-dev \
         && pip install --upgrade numpy \
         && pip install --no-cache-dir setuptools cython \
-        # Clone and install EMBREE
-        && mkdir -p $HOME/EMBREE && cd $HOME/EMBREE \
-        && git clone --single-branch -b ${EMBREE_TAG} --depth 1 ${EMBREE_REPO} \
-        && mkdir build && cd build \
-        && cmake ../embree \
-                    -DCMAKE_INSTALL_PREFIX=${EMBREE_INSTALL_DIR} \
-                    -DEMBREE_MAX_ISA=NONE \
-                    -DEMBREE_ISA_SSE42=ON \
-                    -DEMBREE_ISPC_SUPPORT=OFF \
-        && make 2>/dev/null -j${compile_cores} install \
-        && rm -rf ${EMBREE_INSTALL_DIR}/build ${EMBREE_INSTALL_DIR}/embree ; \
         # Clone and install MOAB
-        mkdir -p $HOME/MOAB && cd $HOME/MOAB \
+        && mkdir -p $HOME/MOAB && cd $HOME/MOAB \
         && git clone  --single-branch -b ${MOAB_TAG} --depth 1 ${MOAB_REPO} \
         && mkdir build && cd build \
         && cmake ../moab -DCMAKE_BUILD_TYPE=Release \
@@ -118,6 +103,7 @@ RUN if [ "$build_dagmc" = "on" ]; then \
                       -DBUILD_SHARED_LIBS=OFF \
                       -DENABLE_FORTRAN=OFF \
                       -DENABLE_BLASLAPACK=OFF \
+                      -DENABLE_TESTING=OFF \
         && make 2>/dev/null -j${compile_cores} install \
         && cmake ../moab \
                     -DENABLE_PYMOAB=ON \
@@ -133,7 +119,7 @@ RUN if [ "$build_dagmc" = "on" ]; then \
         && mkdir build && cd build \
         && cmake ../double-down -DCMAKE_INSTALL_PREFIX=${DD_INSTALL_DIR} \
                              -DMOAB_DIR=/usr/local \
-                             -DEMBREE_DIR=${EMBREE_INSTALL_DIR} \
+                             -DEMBREE_DIR=/usr \
         && make 2>/dev/null -j${compile_cores} install \
         && rm -rf ${DD_INSTALL_DIR}/build ${DD_INSTALL_DIR}/double-down ; \
         # Clone and install DAGMC
@@ -147,6 +133,7 @@ RUN if [ "$build_dagmc" = "on" ]; then \
                        -DDOUBLE_DOWN_DIR=${DD_INSTALL_DIR} \
                        -DCMAKE_PREFIX_PATH=${DD_INSTALL_DIR}/lib \
                        -DBUILD_STATIC_LIBS=OFF \
+                       -DBUILD_TESTS=OFF \
         && make 2>/dev/null -j${compile_cores} install \
         && rm -rf ${DAGMC_INSTALL_DIR}/DAGMC ${DAGMC_INSTALL_DIR}/build ; \
     fi

From 823b4c96c9107c4264d89e2bdacf46bae61b778e Mon Sep 17 00:00:00 2001
From: GuySten <62616591+GuySten@users.noreply.github.com>
Date: Mon, 2 Mar 2026 14:53:20 +0200
Subject: [PATCH 2556/2654] Speed up depletion with transfer rates (#3839)

---
 openmc/deplete/chain.py | 55 +++++++++++++++++------------------------
 1 file changed, 23 insertions(+), 32 deletions(-)

diff --git a/openmc/deplete/chain.py b/openmc/deplete/chain.py
index a835face7..689546b86 100644
--- a/openmc/deplete/chain.py
+++ b/openmc/deplete/chain.py
@@ -18,7 +18,7 @@ from typing import List
 
 import lxml.etree as ET
 
-from openmc.checkvalue import check_type, check_greater_than, PathLike
+from openmc.checkvalue import check_type, check_length, check_greater_than, PathLike
 from openmc.data import gnds_name, zam
 from openmc.exceptions import DataError
 from .nuclide import FissionYieldDistribution, Nuclide
@@ -807,37 +807,29 @@ class Chain:
         # Use DOK as intermediate representation
         n = len(self)
         matrix = dok_array((n, n))
+        
+        check_type("mats", mats, (tuple, str))
+        if not isinstance(mats, str):
+            check_type("mats", mats, tuple, str)
+            check_length("mats", mats, 2, 2)
+            dest_mat, mat = mats
+        else:
+            mat = mats
+            dest_mat = None
+        
+        # Build transfer term 
+        components = tr_rates.get_components(mat, current_timestep, dest_mat)
 
         for i, nuc in enumerate(self.nuclides):
             elm = re.split(r'\d+', nuc.name)[0]
-            # Build transfer terms (nuclide transfer only)
-            if isinstance(mats, str):
-                mat = mats
-                components = tr_rates.get_components(mat, current_timestep)
-                if not components:
-                    break
-                if elm in components:
-                    matrix[i, i] = sum(
-                        tr_rates.get_external_rate(mat, elm, current_timestep))
-                elif nuc.name in components:
-                    matrix[i, i] = sum(
-                        tr_rates.get_external_rate(mat, nuc.name, current_timestep))
-                else:
-                    matrix[i, i] = 0.0
-
-            # Build transfer terms (transfer from one material into another)
-            elif isinstance(mats, tuple):
-                dest_mat, mat = mats
-                components = tr_rates.get_components(mat, current_timestep, dest_mat)
-                if elm in components:
-                    matrix[i, i] = tr_rates.get_external_rate(
-                        mat, elm, current_timestep, dest_mat)[0]
-                elif nuc.name in components:
-                    matrix[i, i] = tr_rates.get_external_rate(
-                        mat, nuc.name, current_timestep, dest_mat)[0]
-                else:
-                    matrix[i, i] = 0.0
-
+            if elm in components:
+                key = elm
+            elif nuc.name in components:
+                key = nuc.name
+            else:
+                continue
+            matrix[i, i] = sum(tr_rates.get_external_rate(mat, key, current_timestep, dest_mat))
+                
         # Return CSC instead of DOK
         return matrix.tocsc()
 
@@ -866,14 +858,13 @@ class Chain:
         # Use DOK as intermediate representation
         n = len(self)
         vector = dok_array((n, 1))
+        components = ext_source_rates.get_components(mat, current_timestep)
 
         for i, nuc in enumerate(self.nuclides):
             # Build source term vector
-            if nuc.name in ext_source_rates.get_components(mat, current_timestep):
+            if nuc.name in components:
                 vector[i] = sum(ext_source_rates.get_external_rate(
                     mat, nuc.name, current_timestep))
-            else:
-                vector[i] = 0.0
 
         # Return CSC instead of DOK
         return vector.tocsc()

From 49b896b0eb339d4cd6cbba549ee75feb7ee130f4 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Mon, 2 Mar 2026 21:06:52 -0600
Subject: [PATCH 2557/2654] Enable "hybrid" tallies in `get_microxs_and_flux`
 (#3831)

---
 openmc/deplete/microxs.py                     | 147 ++++++++++++++++--
 tests/regression_tests/microxs/test.py        |  12 +-
 .../test_reference_materials_hybrid.csv       |   7 +
 tests/unit_tests/test_deplete_microxs.py      | 129 ++++++++++++++-
 4 files changed, 279 insertions(+), 16 deletions(-)
 create mode 100644 tests/regression_tests/microxs/test_reference_materials_hybrid.csv

diff --git a/openmc/deplete/microxs.py b/openmc/deplete/microxs.py
index 879a2d4ee..e6e2dbce2 100644
--- a/openmc/deplete/microxs.py
+++ b/openmc/deplete/microxs.py
@@ -50,7 +50,8 @@ def get_microxs_and_flux(
     chain_file: PathLike | Chain | None = None,
     path_statepoint: PathLike | None = None,
     path_input: PathLike | None = None,
-    run_kwargs=None
+    run_kwargs=None,
+    reaction_rate_opts: dict | None = None,
 ) -> tuple[list[np.ndarray], list[MicroXS]]:
     """Generate microscopic cross sections and fluxes for multiple domains.
 
@@ -80,10 +81,12 @@ def get_microxs_and_flux(
         Energy group boundaries in [eV] or the name of the group structure.
         If left as None energies will default to [0.0, 100e6]
     reaction_rate_mode : {"direct", "flux"}, optional
-        Indicate how reaction rates should be calculated. The "direct" method
-        tallies reaction rates directly. The "flux" method tallies a multigroup
-        flux spectrum and then collapses multigroup reaction rates after a
-        transport solve (with an option to tally some reaction rates directly).
+        The "direct" method tallies reaction rates directly (per energy
+        group). The "flux" method tallies a multigroup flux spectrum and then
+        collapses reaction rates after a transport solve. When
+        `reaction_rate_opts` is provided with `reaction_rate_mode='flux'`, the
+        specified nuclide/reaction pairs are tallied directly and those values
+        override the flux-collapsed values.
     chain_file : PathLike or Chain, optional
         Path to the depletion chain XML file or an instance of
         openmc.deplete.Chain. Used to determine cross sections for materials not
@@ -99,6 +102,10 @@ def get_microxs_and_flux(
         not kept.
     run_kwargs : dict, optional
         Keyword arguments passed to :meth:`openmc.Model.run`
+    reaction_rate_opts : dict, optional
+        When `reaction_rate_mode="flux"`, allows selecting a subset of
+        nuclide/reaction pairs to be computed via direct reaction-rate tallies
+        (per energy group). Supported keys: "nuclides", "reactions".
 
     Returns
     -------
@@ -153,12 +160,36 @@ def get_microxs_and_flux(
     flux_tally.scores = ['flux']
     model.tallies = [flux_tally]
 
+    # Prepare reaction-rate tally for 'direct' or subset for 'flux' with opts
+    rr_tally = None
+    rr_nuclides: list[str] = []
+    rr_reactions: list[str] = []
     if reaction_rate_mode == 'direct':
+        rr_nuclides = list(nuclides)
+        rr_reactions = list(reactions)
+    elif reaction_rate_mode == 'flux' and reaction_rate_opts:
+        opts = reaction_rate_opts or {}
+        rr_nuclides = list(opts.get('nuclides', []))
+        rr_reactions = list(opts.get('reactions', []))
+        # Keep only requested pairs within overall sets
+        if rr_nuclides:
+            rr_nuclides = [n for n in rr_nuclides if n in set(nuclides)]
+        if rr_reactions:
+            rr_reactions = [r for r in rr_reactions if r in set(reactions)]
+
+    # Only construct tally if both lists are non-empty
+    if rr_nuclides and rr_reactions:
         rr_tally = openmc.Tally(name='MicroXS RR')
-        rr_tally.filters = [domain_filter, energy_filter]
-        rr_tally.nuclides = nuclides
+        # Use 1-group energy filter for RR in flux mode
+        if reaction_rate_mode == 'flux':
+            rr_energy_filter = openmc.EnergyFilter(
+                [energy_filter.values[0], energy_filter.values[-1]])
+        else:
+            rr_energy_filter = energy_filter
+        rr_tally.filters = [domain_filter, rr_energy_filter]
+        rr_tally.nuclides = rr_nuclides
         rr_tally.multiply_density = False
-        rr_tally.scores = reactions
+        rr_tally.scores = rr_reactions
         model.tallies.append(rr_tally)
 
     if openmc.lib.is_initialized:
@@ -196,7 +227,7 @@ def get_microxs_and_flux(
 
         # Read in tally results (on all ranks)
         with StatePoint(statepoint_path) as sp:
-            if reaction_rate_mode == 'direct':
+            if rr_tally is not None:
                 rr_tally = sp.tallies[rr_tally.id]
                 rr_tally._read_results()
             flux_tally = sp.tallies[flux_tally.id]
@@ -209,24 +240,31 @@ def get_microxs_and_flux(
     # Create list where each item corresponds to one domain
     fluxes = list(flux.squeeze((1, 2)))
 
-    if reaction_rate_mode == 'direct':
+    # If we built a reaction-rate tally, compute microscopic cross sections
+    if rr_tally is not None:
         # Get reaction rates
         reaction_rates = rr_tally.get_reshaped_data()  # (domains, groups, nuclides, reactions)
 
         # Make energy groups last dimension
         reaction_rates = np.moveaxis(reaction_rates, 1, -1)  # (domains, nuclides, reactions, groups)
 
+        # If RR is 1-group, sum flux over groups
+        if reaction_rate_mode == "flux":
+            flux = flux.sum(axis=-1, keepdims=True)  # (domains, 1, 1, 1)
+
         # Divide RR by flux to get microscopic cross sections. The indexing
         # ensures that only non-zero flux values are used, and broadcasting is
         # applied to align the shapes of reaction_rates and flux for division.
-        xs = np.empty_like(reaction_rates) # (domains, nuclides, reactions, groups)
+        xs = np.zeros_like(reaction_rates)  # (domains, nuclides, reactions, groups)
         d, _, _, g = np.nonzero(flux)
         xs[d, ..., g] = reaction_rates[d, ..., g] / flux[d, :, :, g]
 
         # Create lists where each item corresponds to one domain
-        micros = [MicroXS(xs_i, nuclides, reactions) for xs_i in xs]
-    else:
-        micros = [MicroXS.from_multigroup_flux(
+        direct_micros = [MicroXS(xs_i, rr_nuclides, rr_reactions) for xs_i in xs]
+
+    # If using flux mode, compute flux-collapsed microscopic XS
+    if reaction_rate_mode == 'flux':
+        flux_micros = [MicroXS.from_multigroup_flux(
             energies=energies,
             multigroup_flux=flux_i,
             chain_file=chain_file,
@@ -234,6 +272,14 @@ def get_microxs_and_flux(
             reactions=reactions
         ) for flux_i in fluxes]
 
+    # Decide which micros to use and merge if needed
+    if reaction_rate_mode == 'flux' and rr_tally is not None:
+        micros = [m1.merge(m2) for m1, m2 in zip(flux_micros, direct_micros)]
+    elif rr_tally is not None:
+        micros = direct_micros
+    else:
+        micros = flux_micros
+
     # Reset tallies
     model.tallies = original_tallies
 
@@ -484,6 +530,79 @@ class MicroXS:
 
         return cls(data, nuclides, reactions)
 
+    def merge(self, other: Self, prefer: str = 'other') -> Self:
+        """Merge two MicroXS objects by taking the union of nuclides/reactions.
+
+        If the two objects contain overlapping nuclide/reaction entries, values
+        from `other` will overwrite values from `self` when `prefer='other'`.
+        When `prefer='self'`, values from `self` are retained for overlapping
+        entries, and values from `other` are used only for non-overlapping
+        entries.
+
+        Parameters
+        ----------
+        other : MicroXS
+            Other MicroXS instance to merge with this one.
+        prefer : {"other", "self"}
+            Which instance's data should take precedence on overlap.
+
+        Returns
+        -------
+        MicroXS
+            New instance containing the merged data.
+        """
+        check_value('prefer', prefer, {'other', 'self'})
+
+        # Require same number of energy groups
+        if self.data.shape[2] != other.data.shape[2]:
+            raise ValueError(
+                'Cannot merge MicroXS with different number of energy groups: '
+                f"{self.data.shape[2]} vs {other.data.shape[2]}. Ensure that "
+                'both were generated with consistent group structures and '
+                'treatments (e.g., both multigroup or both collapsed).'
+            )
+
+        # Build unified axes preserving order (self first, then other's new)
+        new_nuclides = list(self.nuclides)
+        for nuc in other.nuclides:
+            if nuc not in self._index_nuc:
+                new_nuclides.append(nuc)
+        new_reactions = list(self.reactions)
+        for rx in other.reactions:
+            if rx not in self._index_rx:
+                new_reactions.append(rx)
+
+        # Allocate and fill from self (self's nuclides/reactions map to the
+        # first indices of new_nuclides/new_reactions by construction)
+        groups = self.data.shape[2]
+        data = np.zeros((len(new_nuclides), len(new_reactions), groups))
+        idx_n = {nuc: i for i, nuc in enumerate(new_nuclides)}
+        idx_r = {rx: i for i, rx in enumerate(new_reactions)}
+
+        n_self = len(self.nuclides)
+        r_self = len(self.reactions)
+        data[:n_self, :r_self] = self.data
+
+        # Build destination index arrays for other's nuclides/reactions
+        dst_n = np.array([idx_n[nuc] for nuc in other.nuclides])
+        dst_r = np.array([idx_r[rx] for rx in other.reactions])
+
+        # Copy from other, respecting precedence
+        if prefer == 'other':
+            data[np.ix_(dst_n, dst_r)] = other.data
+        else:
+            # Copy only entries where nuc or rx is absent from self
+            nuc_is_new = np.array(
+                [nuc not in self._index_nuc for nuc in other.nuclides])
+            rx_is_new = np.array(
+                [rx not in self._index_rx for rx in other.reactions])
+            mask = nuc_is_new[:, np.newaxis] | rx_is_new[np.newaxis, :]
+            src_i, src_j = np.where(mask)
+            if src_i.size:
+                data[dst_n[src_i], dst_r[src_j]] = other.data[src_i, src_j]
+
+        return MicroXS(data, new_nuclides, new_reactions)
+
 
 def write_microxs_hdf5(
     micros: Sequence[MicroXS],
diff --git a/tests/regression_tests/microxs/test.py b/tests/regression_tests/microxs/test.py
index 70833bb39..781be3ef7 100644
--- a/tests/regression_tests/microxs/test.py
+++ b/tests/regression_tests/microxs/test.py
@@ -34,6 +34,7 @@ def model():
     [
         ("materials", "direct"),
         ("materials", "flux"),
+        ("materials", "hybrid"),
         ("mesh", "direct"),
         ("mesh", "flux"),
     ]
@@ -49,12 +50,21 @@ def test_from_model(model, domain_type, rr_mode):
         domains = mesh
     nuclides = ['U235', 'O16', 'Xe135']
     kwargs = {
-        'reaction_rate_mode': rr_mode,
         'chain_file': CHAIN_FILE,
         'path_statepoint': 'neutron_transport.h5',
     }
     if rr_mode == 'flux':
+        kwargs['reaction_rate_mode'] = 'flux'
         kwargs['energies'] = 'CASMO-40'
+    elif rr_mode == 'hybrid':
+        kwargs['reaction_rate_mode'] = 'flux'
+        kwargs['energies'] = 'CASMO-40'
+        kwargs['reaction_rate_opts'] = {
+            'nuclides': ['U235'],
+            'reactions': ['fission'],
+        }
+    else:
+        kwargs['reaction_rate_mode'] = rr_mode
     _, test_xs = get_microxs_and_flux(model, domains, nuclides, **kwargs)
     if config['update']:
         test_xs[0].to_csv(f'test_reference_{domain_type}_{rr_mode}.csv')
diff --git a/tests/regression_tests/microxs/test_reference_materials_hybrid.csv b/tests/regression_tests/microxs/test_reference_materials_hybrid.csv
new file mode 100644
index 000000000..6d17a5e2b
--- /dev/null
+++ b/tests/regression_tests/microxs/test_reference_materials_hybrid.csv
@@ -0,0 +1,7 @@
+nuclides,reactions,groups,xs
+U235,"(n,gamma)",1,0.1500301670375847
+U235,fission,1,1.2578145727734291
+O16,"(n,gamma)",1,0.00012069778439640312
+O16,fission,1,0.0
+Xe135,"(n,gamma)",1,0.014820264774863558
+Xe135,fission,1,0.0
diff --git a/tests/unit_tests/test_deplete_microxs.py b/tests/unit_tests/test_deplete_microxs.py
index 5762a8511..340ba6163 100644
--- a/tests/unit_tests/test_deplete_microxs.py
+++ b/tests/unit_tests/test_deplete_microxs.py
@@ -6,12 +6,15 @@ to a custom file with new depletion_chain node
 
 from os import remove
 from pathlib import Path
+from unittest.mock import patch
 
 import pytest
-from openmc.deplete import MicroXS
+import openmc
+from openmc.deplete import MicroXS, get_microxs_and_flux
 import numpy as np
 
 ONE_GROUP_XS = Path(__file__).parents[1] / "micro_xs_simple.csv"
+CHAIN_FILE = Path(__file__).parents[1] / "chain_simple.xml"
 
 
 def test_from_array():
@@ -124,3 +127,127 @@ def test_microxs_zero_flux():
 
     # All microscopic cross sections should be zero
     assert np.all(microxs.data == 0.0)
+
+
+def test_hybrid_tally_setup():
+    """In hybrid mode a 1-group RR tally is added alongside the flux tally."""
+    # Create a simple model with one material and a few nuclides for testing
+    model = openmc.Model()
+    mat = openmc.Material(components={'U235': 1.0, 'O16': 2.0})
+    sphere = openmc.Sphere(r=10.0, boundary_type='vacuum')
+    cell = openmc.Cell(region=-sphere, fill=mat)
+    model.geometry = openmc.Geometry([cell])
+    model.settings.batches = 2
+    model.settings.particles = 10
+
+    # Define 2-group energy structure for the test
+    energies = [0., 0.625, 2.0e7]
+
+    # Function to replace Model.run and capture the tallies that were created
+    captured = {}
+    def capture_run(**kwargs):
+        captured['tallies'] = list(model.tallies)
+        raise StopIteration
+
+    # Call get_microxs_and_flux but replace Model.run with a function that
+    # captures the tallies and raises StopIteration to exit early
+    with patch.object(model, 'run', side_effect=capture_run):
+        with pytest.raises(StopIteration):
+            get_microxs_and_flux(
+                model, [mat],
+                nuclides=['U235', 'O16'],
+                reactions=['fission', '(n,gamma)'],
+                energies=energies,
+                reaction_rate_mode='flux',
+                reaction_rate_opts={'nuclides': ['U235'], 'reactions': ['fission']},
+                chain_file=CHAIN_FILE,
+            )
+
+    # Check that both tallies were created with the expected properties
+    tally_names = [t.name for t in captured['tallies']]
+    assert 'MicroXS flux' in tally_names
+    assert 'MicroXS RR' in tally_names
+
+    # Check that the RR tally has the expected nuclides and reactions
+    rr = next(t for t in captured['tallies'] if t.name == 'MicroXS RR')
+    assert rr.nuclides == ['U235']
+    assert rr.scores == ['fission']
+
+    # RR tally must use a 1-group energy filter spanning the full energy range
+    ef = next(f for f in rr.filters if isinstance(f, openmc.EnergyFilter))
+    assert len(ef.values) == 2
+    assert ef.values[0] == pytest.approx(energies[0])
+    assert ef.values[-1] == pytest.approx(energies[-1])
+
+# ---------------------------------------------------------------------------
+# Tests for MicroXS.merge()
+# ---------------------------------------------------------------------------
+
+def _make_microxs(nuclides, reactions, values, groups=1):
+    """Helper: build a MicroXS from a flat list of values (nuclide-major order)."""
+    data = np.array(values, dtype=float).reshape(
+        len(nuclides), len(reactions), groups)
+    return MicroXS(data, nuclides, reactions)
+
+
+def test_merge_disjoint():
+    """Merging two MicroXS with no overlapping nuclides or reactions."""
+    m1 = _make_microxs(['U235', 'U238'], ['fission', '(n,gamma)'],
+                        [1., 2., 3., 4.])
+    m2 = _make_microxs(['Pu239'], ['(n,2n)'], [5.])
+
+    merged = m1.merge(m2)
+
+    assert merged.nuclides == ['U235', 'U238', 'Pu239']
+    assert merged.reactions == ['fission', '(n,gamma)', '(n,2n)']
+    assert merged.data.shape == (3, 3, 1)
+
+    # Self data preserved
+    assert merged['U235', 'fission'] == pytest.approx([1.])
+    assert merged['U238', '(n,gamma)'] == pytest.approx([4.])
+    # New data from other
+    assert merged['Pu239', '(n,2n)'] == pytest.approx([5.])
+    # Cross-terms that had no data should be zero
+    assert merged['U235', '(n,2n)'] == pytest.approx([0.])
+    assert merged['Pu239', 'fission'] == pytest.approx([0.])
+
+
+def test_merge_prefer_other():
+    """prefer='other': other overwrites shared entries, adds new ones."""
+    # m1: U235 and U238, reactions fission and (n,gamma)
+    m1 = _make_microxs(['U235', 'U238'], ['fission', '(n,gamma)'],
+                        [1., 2., 3., 4.])
+    # m2: only U235, reactions fission (overlap) and (n,2n) (new)
+    m2 = _make_microxs(['U235'], ['fission', '(n,2n)'], [9., 5.])
+
+    merged = m1.merge(m2)
+
+    # Nuclide/reaction sets
+    assert set(merged.nuclides) == {'U235', 'U238'}
+    assert set(merged.reactions) == {'fission', '(n,gamma)', '(n,2n)'}
+
+    # U235/fission overwritten by m2
+    assert merged['U235', 'fission'] == pytest.approx([9.])
+    # U235/(n,gamma) untouched
+    assert merged['U235', '(n,gamma)'] == pytest.approx([2.])
+    # New reaction added from m2
+    assert merged['U235', '(n,2n)'] == pytest.approx([5.])
+    # U238 data preserved
+    assert merged['U238', 'fission'] == pytest.approx([3.])
+    assert merged['U238', '(n,gamma)'] == pytest.approx([4.])
+    # U238/(n,2n) not in either → zero
+    assert merged['U238', '(n,2n)'] == pytest.approx([0.])
+
+
+def test_merge_prefer_self():
+    """prefer='self': shared pairs keep self's value; new entries use other's value."""
+    m1 = _make_microxs(['U235', 'U238'], ['fission', '(n,gamma)'],
+                        [1., 2., 3., 4.])
+    m2 = _make_microxs(['U235'], ['fission', '(n,2n)'], [9., 5.])
+
+    merged = m1.merge(m2, prefer='self')
+
+    # U235/fission: self wins
+    assert merged['U235', 'fission'] == pytest.approx([1.])
+    # U235/(n,2n): other used
+    assert merged['U235', '(n,2n)'] == pytest.approx([5.])

From 53d98ce71acddd028a8361bf966aa8d6be204cfd Mon Sep 17 00:00:00 2001
From: Marco De Pietri <marco.deppo@hotmail.it>
Date: Tue, 3 Mar 2026 10:48:56 -0500
Subject: [PATCH 2558/2654] Add method on Material for computing photon contact
 dose rate (#3700)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 docs/source/pythonapi/data.rst                |   2 +
 openmc/data/__init__.py                       |   4 +-
 .../data/{effective_dose => dose}/__init__.py |   0
 openmc/data/{effective_dose => dose}/dose.py  |   0
 .../icrp116/electrons.txt                     |   0
 .../icrp116/helium_ions.txt                   |   0
 .../icrp116/negative_muons.txt                |   0
 .../icrp116/negative_pions.txt                |   0
 .../icrp116/neutrons.txt                      |   0
 .../icrp116/photons.txt                       |   0
 .../icrp116/photons_kerma.txt                 |   0
 .../icrp116/positive_muons.txt                |   0
 .../icrp116/positive_pions.txt                |   0
 .../icrp116/positrons.txt                     |   0
 .../icrp116/protons.txt                       |   0
 .../icrp74/generate_photon_effective_dose.py  |   0
 .../icrp74/neutrons.txt                       |   0
 .../icrp74/photons.txt                        |   0
 openmc/data/dose/mass_attenuation.h5          | Bin 0 -> 135056 bytes
 openmc/data/dose/mass_attenuation.py          | 153 ++++++++++++++
 openmc/material.py                            | 191 +++++++++++++++++-
 pyproject.toml                                |   2 +-
 .../unit_tests/test_data_mass_attenuation.py  |  53 +++++
 tests/unit_tests/test_material.py             |  55 +++++
 tests/unit_tests/test_mesh.py                 |   1 +
 25 files changed, 457 insertions(+), 4 deletions(-)
 rename openmc/data/{effective_dose => dose}/__init__.py (100%)
 rename openmc/data/{effective_dose => dose}/dose.py (100%)
 rename openmc/data/{effective_dose => dose}/icrp116/electrons.txt (100%)
 rename openmc/data/{effective_dose => dose}/icrp116/helium_ions.txt (100%)
 rename openmc/data/{effective_dose => dose}/icrp116/negative_muons.txt (100%)
 rename openmc/data/{effective_dose => dose}/icrp116/negative_pions.txt (100%)
 rename openmc/data/{effective_dose => dose}/icrp116/neutrons.txt (100%)
 rename openmc/data/{effective_dose => dose}/icrp116/photons.txt (100%)
 rename openmc/data/{effective_dose => dose}/icrp116/photons_kerma.txt (100%)
 rename openmc/data/{effective_dose => dose}/icrp116/positive_muons.txt (100%)
 rename openmc/data/{effective_dose => dose}/icrp116/positive_pions.txt (100%)
 rename openmc/data/{effective_dose => dose}/icrp116/positrons.txt (100%)
 rename openmc/data/{effective_dose => dose}/icrp116/protons.txt (100%)
 rename openmc/data/{effective_dose => dose}/icrp74/generate_photon_effective_dose.py (100%)
 rename openmc/data/{effective_dose => dose}/icrp74/neutrons.txt (100%)
 rename openmc/data/{effective_dose => dose}/icrp74/photons.txt (100%)
 create mode 100644 openmc/data/dose/mass_attenuation.h5
 create mode 100644 openmc/data/dose/mass_attenuation.py
 create mode 100644 tests/unit_tests/test_data_mass_attenuation.py

diff --git a/docs/source/pythonapi/data.rst b/docs/source/pythonapi/data.rst
index 1eaf90c97..9d47430f7 100644
--- a/docs/source/pythonapi/data.rst
+++ b/docs/source/pythonapi/data.rst
@@ -71,6 +71,8 @@ Core Functions
     isotopes
     kalbach_slope
     linearize
+    mass_attenuation_coefficient
+    mass_energy_absorption_coefficient
     thin
     water_density
     zam
diff --git a/openmc/data/__init__.py b/openmc/data/__init__.py
index a45d026a0..9b38d758e 100644
--- a/openmc/data/__init__.py
+++ b/openmc/data/__init__.py
@@ -35,4 +35,6 @@ from .grid import *
 from .function import *
 from .vectfit import *
 
-from .effective_dose.dose import dose_coefficients
+from .dose.dose import dose_coefficients
+from .dose.mass_attenuation import \
+    mass_energy_absorption_coefficient, mass_attenuation_coefficient
diff --git a/openmc/data/effective_dose/__init__.py b/openmc/data/dose/__init__.py
similarity index 100%
rename from openmc/data/effective_dose/__init__.py
rename to openmc/data/dose/__init__.py
diff --git a/openmc/data/effective_dose/dose.py b/openmc/data/dose/dose.py
similarity index 100%
rename from openmc/data/effective_dose/dose.py
rename to openmc/data/dose/dose.py
diff --git a/openmc/data/effective_dose/icrp116/electrons.txt b/openmc/data/dose/icrp116/electrons.txt
similarity index 100%
rename from openmc/data/effective_dose/icrp116/electrons.txt
rename to openmc/data/dose/icrp116/electrons.txt
diff --git a/openmc/data/effective_dose/icrp116/helium_ions.txt b/openmc/data/dose/icrp116/helium_ions.txt
similarity index 100%
rename from openmc/data/effective_dose/icrp116/helium_ions.txt
rename to openmc/data/dose/icrp116/helium_ions.txt
diff --git a/openmc/data/effective_dose/icrp116/negative_muons.txt b/openmc/data/dose/icrp116/negative_muons.txt
similarity index 100%
rename from openmc/data/effective_dose/icrp116/negative_muons.txt
rename to openmc/data/dose/icrp116/negative_muons.txt
diff --git a/openmc/data/effective_dose/icrp116/negative_pions.txt b/openmc/data/dose/icrp116/negative_pions.txt
similarity index 100%
rename from openmc/data/effective_dose/icrp116/negative_pions.txt
rename to openmc/data/dose/icrp116/negative_pions.txt
diff --git a/openmc/data/effective_dose/icrp116/neutrons.txt b/openmc/data/dose/icrp116/neutrons.txt
similarity index 100%
rename from openmc/data/effective_dose/icrp116/neutrons.txt
rename to openmc/data/dose/icrp116/neutrons.txt
diff --git a/openmc/data/effective_dose/icrp116/photons.txt b/openmc/data/dose/icrp116/photons.txt
similarity index 100%
rename from openmc/data/effective_dose/icrp116/photons.txt
rename to openmc/data/dose/icrp116/photons.txt
diff --git a/openmc/data/effective_dose/icrp116/photons_kerma.txt b/openmc/data/dose/icrp116/photons_kerma.txt
similarity index 100%
rename from openmc/data/effective_dose/icrp116/photons_kerma.txt
rename to openmc/data/dose/icrp116/photons_kerma.txt
diff --git a/openmc/data/effective_dose/icrp116/positive_muons.txt b/openmc/data/dose/icrp116/positive_muons.txt
similarity index 100%
rename from openmc/data/effective_dose/icrp116/positive_muons.txt
rename to openmc/data/dose/icrp116/positive_muons.txt
diff --git a/openmc/data/effective_dose/icrp116/positive_pions.txt b/openmc/data/dose/icrp116/positive_pions.txt
similarity index 100%
rename from openmc/data/effective_dose/icrp116/positive_pions.txt
rename to openmc/data/dose/icrp116/positive_pions.txt
diff --git a/openmc/data/effective_dose/icrp116/positrons.txt b/openmc/data/dose/icrp116/positrons.txt
similarity index 100%
rename from openmc/data/effective_dose/icrp116/positrons.txt
rename to openmc/data/dose/icrp116/positrons.txt
diff --git a/openmc/data/effective_dose/icrp116/protons.txt b/openmc/data/dose/icrp116/protons.txt
similarity index 100%
rename from openmc/data/effective_dose/icrp116/protons.txt
rename to openmc/data/dose/icrp116/protons.txt
diff --git a/openmc/data/effective_dose/icrp74/generate_photon_effective_dose.py b/openmc/data/dose/icrp74/generate_photon_effective_dose.py
similarity index 100%
rename from openmc/data/effective_dose/icrp74/generate_photon_effective_dose.py
rename to openmc/data/dose/icrp74/generate_photon_effective_dose.py
diff --git a/openmc/data/effective_dose/icrp74/neutrons.txt b/openmc/data/dose/icrp74/neutrons.txt
similarity index 100%
rename from openmc/data/effective_dose/icrp74/neutrons.txt
rename to openmc/data/dose/icrp74/neutrons.txt
diff --git a/openmc/data/effective_dose/icrp74/photons.txt b/openmc/data/dose/icrp74/photons.txt
similarity index 100%
rename from openmc/data/effective_dose/icrp74/photons.txt
rename to openmc/data/dose/icrp74/photons.txt
diff --git a/openmc/data/dose/mass_attenuation.h5 b/openmc/data/dose/mass_attenuation.h5
new file mode 100644
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diff --git a/openmc/data/dose/mass_attenuation.py b/openmc/data/dose/mass_attenuation.py
new file mode 100644
index 000000000..a6cbbee2b
--- /dev/null
+++ b/openmc/data/dose/mass_attenuation.py
@@ -0,0 +1,153 @@
+from pathlib import Path
+
+import numpy as np
+import h5py
+
+import openmc.checkvalue as cv
+from openmc.data import EV_PER_MEV
+from ..data import ATOMIC_NUMBER
+from ..function import Tabulated1D
+
+# Embedded NIST-126 data
+# Air (Dry Near Sea Level) — NIST Standard Reference Database 126 Table 4 (doi: 10.18434/T4D01F)
+# Columns: Energy (MeV), μ_en/ρ (cm^2/g)
+_NIST126_AIR = np.array([
+    [1.00000e-03, 3.599e03],
+    [1.50000e-03, 1.188e03],
+    [2.00000e-03, 5.262e02],
+    [3.00000e-03, 1.614e02],
+    [3.20290e-03, 1.330e02],
+    [3.20290e-03, 1.460e02],
+    [4.00000e-03, 7.636e01],
+    [5.00000e-03, 3.931e01],
+    [6.00000e-03, 2.270e01],
+    [8.00000e-03, 9.446e00],
+    [1.00000e-02, 4.742e00],
+    [1.50000e-02, 1.334e00],
+    [2.00000e-02, 5.389e-01],
+    [3.00000e-02, 1.537e-01],
+    [4.00000e-02, 6.833e-02],
+    [5.00000e-02, 4.098e-02],
+    [6.00000e-02, 3.041e-02],
+    [8.00000e-02, 2.407e-02],
+    [1.00000e-01, 2.325e-02],
+    [1.50000e-01, 2.496e-02],
+    [2.00000e-01, 2.672e-02],
+    [3.00000e-01, 2.872e-02],
+    [4.00000e-01, 2.949e-02],
+    [5.00000e-01, 2.966e-02],
+    [6.00000e-01, 2.953e-02],
+    [8.00000e-01, 2.882e-02],
+    [1.00000e00, 2.789e-02],
+    [1.25000e00, 2.666e-02],
+    [1.50000e00, 2.547e-02],
+    [2.00000e00, 2.345e-02],
+    [3.00000e00, 2.057e-02],
+    [4.00000e00, 1.870e-02],
+    [5.00000e00, 1.740e-02],
+    [6.00000e00, 1.647e-02],
+    [8.00000e00, 1.525e-02],
+    [1.00000e01, 1.450e-02],
+    [1.50000e01, 1.353e-02],
+    [2.00000e01, 1.311e-02],
+])
+
+# Registry of embedded tables: (data_source, material) -> ndarray
+# Table shape: (N, 2) with columns [Energy (MeV), μen/ρ (cm^2/g)]
+_MUEN_TABLES = {
+    ("nist126", "air"): _NIST126_AIR,
+}
+
+
+def mass_energy_absorption_coefficient(
+    material: str, data_source: str = "nist126"
+) -> Tabulated1D:
+    """Return the mass energy-absorption coefficient as a function of energy.
+
+    The mass energy-absorption coefficient, :math:`\mu_\text{en}/\rho`, is
+    defined as the fraction of incident photon energy absorbed in a material per
+    unit mass less the energy carried away by scattered photons. It is obtained
+    from `NIST Standard Reference Database 126
+    <https://doi.org/10.18434/T4D01F>`_: X-Ray Mass Attenuation Coefficients.
+
+    Parameters
+    ----------
+    material : {'air'}
+        Material compound for which to load coefficients.
+    data_source : {'nist126'}
+        Source library.
+
+    Returns
+    -------
+    Tabulated1D
+        Mass energy-absorption coefficient [cm^2/g] as a function of photon
+        energy [eV], using log-log interpolation.
+
+    """
+    cv.check_value("material", material, {"air"})
+    cv.check_value("data_source", data_source, {"nist126"})
+
+    key = (data_source, material)
+    if key not in _MUEN_TABLES:
+        available = sorted({m for (ds, m) in _MUEN_TABLES.keys() if ds == data_source})
+        raise ValueError(
+            f"No mass energy-absorption data for '{material}' in data source "
+            f"'{data_source}'. Available materials: {available}"
+        )
+
+    data = _MUEN_TABLES[key]
+    energy = data[:, 0].copy() * EV_PER_MEV  # MeV -> eV
+    mu_en_coeffs = data[:, 1].copy()
+    return Tabulated1D(energy, mu_en_coeffs,
+                       breakpoints=[len(energy)], interpolation=[5])
+
+
+# Used in mass_attenuation_coefficient function as a cache.
+# Maps atomic number Z (int) -> Tabulated1D of (mu/rho) [cm^2/g] vs E [eV]
+_MASS_ATTENUATION: dict[int, object] = {}
+
+
+def mass_attenuation_coefficient(element):
+    """Return the photon mass attenuation coefficient as a function of energy.
+
+    The mass energy-absorption coefficient, :math:`\mu_\text{en}/\rho`, is
+    defined as the fraction of incident photon energy absorbed in a material per
+    unit mass. Values for each element are obtained from `NIST Standard
+    Reference Database 8 <https://doi.org/10.18434/T48G6X>`_: XCOM Photon Cross
+    Sections Database.
+
+    Parameters
+    ----------
+    element : str or int
+        Element symbol (e.g., 'Fe') or atomic number (e.g., 26).
+
+    Returns
+    -------
+    Tabulated1D
+        Mass attenuation coefficient [cm^2/g] as a function of photon energy
+        [eV], using log-log interpolation.
+
+    """
+    if not _MASS_ATTENUATION:
+        data_file = Path(__file__).with_name('mass_attenuation.h5')
+        with h5py.File(data_file, 'r') as f:
+            for key, dataset in f.items():
+                energies, mu_rho = dataset[()]  # shape (2, N)
+                _MASS_ATTENUATION[int(key)] = Tabulated1D(
+                    energies, mu_rho,
+                    breakpoints=[len(energies)],
+                    interpolation=[5]  # log-log
+                )
+
+    # Resolve element argument to atomic number
+    if isinstance(element, str):
+        if element not in ATOMIC_NUMBER:
+            raise ValueError(f"'{element}' is not a recognized element symbol")
+        Z = ATOMIC_NUMBER[element]
+    else:
+        Z = int(element)
+
+    if Z not in _MASS_ATTENUATION:
+        raise ValueError(f"No mass attenuation data available for Z={Z}")
+
+    return _MASS_ATTENUATION[Z]
diff --git a/openmc/material.py b/openmc/material.py
index 735a05743..239bc01f7 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -2,6 +2,7 @@ from __future__ import annotations
 from collections import defaultdict, namedtuple, Counter
 from collections.abc import Iterable
 from copy import deepcopy
+from functools import reduce
 from numbers import Real
 from pathlib import Path
 import re
@@ -22,8 +23,10 @@ from .mixin import IDManagerMixin
 from .utility_funcs import input_path
 from . import waste
 from openmc.checkvalue import PathLike
-from openmc.stats import Univariate, Discrete, Mixture
-from openmc.data.data import _get_element_symbol
+from openmc.stats import Univariate, Discrete, Mixture, Tabular
+from openmc.data.data import _get_element_symbol, JOULE_PER_EV
+from openmc.data.function import Tabulated1D
+from openmc.data import mass_energy_absorption_coefficient, dose_coefficients
 
 
 # Units for density supported by OpenMC
@@ -409,6 +412,190 @@ class Material(IDManagerMixin):
 
         return combined
 
+    def get_photon_contact_dose_rate(
+        self,
+        dose_quantity: str = "absorbed-air",
+        build_up: float = 2.0,
+        by_nuclide: bool = False
+    ) -> float | dict[str, float]:
+        """Compute the photon contact dose rate (CDR) produced by radioactive decay
+        of the material.
+
+        The contact dose rate is calculated from decay photon energy spectra for
+        each nuclide in the material, combined with photon mass attenuation data
+        for the material and the appropriate response function for the dose quantity.
+        A slab-geometry approximation and a photon build-up factor are used.
+
+        Absorbed-air dose:
+            The approach follows the FISPACT-II manual (UKAEA-CCFE-RE(21)02 - May 2021).
+            Appendix C.7.1.
+            This method integrates over the photon energy:
+
+                (B/2) * (mu_en_air(E) / mu_material(E)) * E * S(E)
+
+        Effective dose:
+            The approach uses ICRP-116 effective dose coefficients to convert the photon
+            fluence due to decay photons to effective dose.
+            This method integrates over the photon energy:
+
+                (B/2) * (h_e(E) / mu_material(E)) * S(E)
+
+        where:
+            - mu_en_air(E) is the air mass energy-absorption coefficient,
+            - mu_material(E) is the photon mass attenuation coefficient of the material,
+            - S(E) is the photon emission spectrum per atom,
+            - h_e(E) is the ICRP-116 effective dose coefficient,
+            - B is the build-up factor,
+            - E is the photon energy.
+
+        Parameters
+        ----------
+        dose_quantity : {'absorbed-air', 'effective'}, optional
+            Specifies the dose quantity to be calculated.
+            The only supported options are 'absorbed-air' which implements the methodology
+            from FISPACT-II, and 'effective' which uses ICRP-116 effective dose coefficients.
+        build_up : float, optional. The default value is 2.0 as suggested in the FISPACT-II
+            manual.
+        by_nuclide : bool, optional
+            Specifies if the cdr should be returned for the material as a
+            whole or per nuclide. Default is False.
+
+        Limitations
+        ----------
+        This method does not implement correction from Bremsstrahlung particles which can be
+        relevant at close distances.
+        In addition, it computes the gamma contact dose rate only for the unstable nuclides
+        for which the radiation source specification is present in the chain file.
+
+        Returns
+        -------
+        cdr : float or dict[str, float]
+            Contact Dose Rate due to decay photons.
+            'absorbed-air': returns the absorbed dose in air [Gy/hr].
+            'effective': returns the effective dose [Sv/hr].
+        """
+
+        cv.check_type("by_nuclide", by_nuclide, bool)
+        cv.check_type("dose_quantity", dose_quantity, str)
+        cv.check_value("dose_quantity", dose_quantity, {'absorbed-air', 'effective'})
+        cv.check_type("build_up", build_up, Real)
+        cv.check_greater_than("build_up", build_up, 0.0)
+
+        nuc_densities = self.get_nuclide_atom_densities()
+        if not nuc_densities:
+            raise ValueError("Material has no nuclides; cannot compute mass attenuation")
+
+        # Collect partial mass densities ρ_i [g/cm³] and elemental mass
+        # attenuation coefficients µ_i/ρ_i [cm²/g] per nuclide
+        nuc_attenuation = []
+        for nuc, atom_density_bcm in nuc_densities.items():
+            Z = openmc.data.zam(nuc)[0]
+            mu_over_rho = openmc.data.mass_attenuation_coefficient(Z)
+            rho_i = (
+                atom_density_bcm * 1.0e24
+                * openmc.data.atomic_mass(nuc) / openmc.data.AVOGADRO
+            )
+            nuc_attenuation.append((rho_i, mu_over_rho))
+
+        # Build union energy grid across all nuclides
+        mu_e_vals = reduce(np.union1d, [t.x for _, t in nuc_attenuation])
+
+        # Build the material linear attenuation coefficient µ_material(E) [cm⁻¹]
+        # as the sum of ρ_i * (µ_i/ρ_i)(E) over all nuclides
+        mu_material_vals = np.zeros(len(mu_e_vals))
+        for rho_i, mu_over_rho in nuc_attenuation:
+            mu_material_vals += rho_i * mu_over_rho(mu_e_vals)
+        mu_material = Tabulated1D(
+            mu_e_vals, mu_material_vals, breakpoints=[len(mu_e_vals)], interpolation=[5])
+
+        # CDR computation
+        cdr = {}
+
+        geometry_factor_slab = 0.5
+
+        # ancillary conversion factors for clarity
+        seconds_per_hour = 3600.0
+        grams_per_kg = 1000.0
+        sv_per_psv = 1e-12
+
+        if dose_quantity == 'absorbed-air':
+            # mu_en/rho for air [cm²/g] as a function of energy [eV]
+            response_f = mass_energy_absorption_coefficient("air", data_source="nist126")
+
+            # Factor to convert [eV cm²/(b g s)] to [Gy/h]
+            multiplier = (build_up * geometry_factor_slab * seconds_per_hour
+                          * grams_per_kg * 1e24 * JOULE_PER_EV)
+
+        elif dose_quantity == 'effective':
+            # effective dose as a function of photon fluence [pSv cm²]
+            response_f_x, response_f_y = dose_coefficients(
+                "photon", geometry='AP', data_source='icrp116')
+            response_f = Tabulated1D(response_f_x, response_f_y, breakpoints=[
+                len(response_f_x)], interpolation=[5])
+
+            # Convert [pSv cm²/(b-s)] to [Sv/h]
+            multiplier = (build_up * geometry_factor_slab * seconds_per_hour
+                          * sv_per_psv * 1e24)
+
+        for nuc, nuc_atoms_per_bcm in self.get_nuclide_atom_densities().items():
+            photon_source_per_atom = openmc.data.decay_photon_energy(nuc)
+
+            # nuclides with no contribution
+            if photon_source_per_atom is None or nuc_atoms_per_bcm <= 0.0:
+                cdr[nuc] = 0.0
+                continue
+
+            if not isinstance(photon_source_per_atom, (Discrete, Tabular)):
+                raise ValueError(
+                    f"Unknown decay photon energy data type for nuclide {nuc}"
+                    f"value returned: {type(photon_source_per_atom)}"
+                )
+
+            e_vals = photon_source_per_atom.x
+            p_vals = photon_source_per_atom.p
+
+            # Construct list of energies from (photon source, response function,
+            # mu_en_air) for clipping to common energy range
+            e_lists = [e_vals, response_f.x, mu_e_vals]
+
+            # clip distributions for values outside the tabulated values
+            left_bound = max(a.min() for a in e_lists)
+            right_bound = min(a.max() for a in e_lists)
+
+            mask = (e_vals >= left_bound) & (e_vals <= right_bound)
+            e_vals = e_vals[mask]
+            p_vals = p_vals[mask]
+
+            if isinstance(photon_source_per_atom, Tabular):
+                # limit the computation to the tabulated mu_en_air range
+                e_union = reduce(np.union1d, e_lists)
+                e_union = e_union[(e_union >= left_bound) & (e_union <= right_bound)]
+                if len(e_union) < 2:
+                    raise ValueError("Not enough overlapping energy points to compute CDR")
+
+                # Histogram interpolation: each new point inherits the value of
+                # the nearest original point to its left
+                p_vals = p_vals[np.searchsorted(e_vals, e_union, side='right') - 1]
+                e_vals = e_union
+
+            mu_vals = mu_material(e_vals)
+            if dose_quantity == 'absorbed-air':
+                # Compute (µ_en_air(E) / µ_material(E)) * E * S(E)
+                integrand = (response_f(e_vals) / mu_vals) * p_vals * e_vals
+            elif dose_quantity == 'effective':
+                # Compute (h_e(E) / µ_material(E)) * S(E)
+                integrand = (response_f(e_vals) / mu_vals) * p_vals
+
+            if isinstance(photon_source_per_atom, Discrete):
+                cdr_nuc = np.sum(integrand)
+            elif isinstance(photon_source_per_atom, Tabular):
+                cdr_nuc = np.trapezoid(integrand, e_vals)
+
+            # Compute air-absorbed dose [Gy/h] or effective dose [Sv/h]
+            cdr[nuc] = float(cdr_nuc * nuc_atoms_per_bcm * multiplier)
+
+        return cdr if by_nuclide else sum(cdr.values())
+
     @classmethod
     def from_hdf5(cls, group: h5py.Group) -> Material:
         """Create material from HDF5 group
diff --git a/pyproject.toml b/pyproject.toml
index b2b5ff5e4..bf4011344 100644
--- a/pyproject.toml
+++ b/pyproject.toml
@@ -69,7 +69,7 @@ include = ['openmc*']
 exclude = ['tests*']
 
 [tool.setuptools.package-data]
-"openmc.data.effective_dose" = ["**/*.txt"]
+"openmc.data.dose" = ["**/*.txt"]
 "openmc.data" = ["*.txt", "*.DAT", "*.json", "*.h5"]
 "openmc.lib" = ["libopenmc.dylib", "libopenmc.so"]
 
diff --git a/tests/unit_tests/test_data_mass_attenuation.py b/tests/unit_tests/test_data_mass_attenuation.py
new file mode 100644
index 000000000..0fe12a7db
--- /dev/null
+++ b/tests/unit_tests/test_data_mass_attenuation.py
@@ -0,0 +1,53 @@
+from pytest import approx, raises
+
+from openmc.data import mass_energy_absorption_coefficient, mass_attenuation_coefficient
+from openmc.data.function import Tabulated1D
+
+
+def test_mass_attenuation_type():
+    mu = mass_attenuation_coefficient(26)  # Fe
+    assert isinstance(mu, Tabulated1D)
+
+
+def test_mass_attenuation_spot_values():
+    # Spot checks for Fe (Z=26) against NIST data: first/last tabulated points
+    # and a mid-range value at 1 MeV
+    mu = mass_attenuation_coefficient(26)
+    assert mu(1e3) == approx(9085.0)
+    assert mu(1e6) == approx(0.05995)
+    assert mu(2e7) == approx(0.03224)
+
+
+def test_mass_attenuation_caching():
+    # Repeated calls with the same Z should return the identical object
+    mu1 = mass_attenuation_coefficient(26)
+    mu2 = mass_attenuation_coefficient('Fe')
+    assert mu1 is mu2
+
+
+def test_mass_attenuation_invalid_z():
+    with raises(ValueError, match="Z=0"):
+        mass_attenuation_coefficient(0)
+    with raises(ValueError, match="Z=200"):
+        mass_attenuation_coefficient(200)
+
+
+def test_mass_energy_absorption_type():
+    # Spot checks on values from NIST tables
+    mu_en = mass_energy_absorption_coefficient("air")
+    assert isinstance(mu_en, Tabulated1D)
+
+
+def test_mass_energy_absorption_spot_values():
+    mu_en = mass_energy_absorption_coefficient("air")
+    assert mu_en(1e3) == approx(3.599e3)
+    assert mu_en(10.e3) == approx(4.742)
+    assert mu_en(2e7) == approx(1.311e-2)
+
+
+def test_mass_energy_absorption_invalid():
+    # Invalid material/data_source should raise an exception
+    with raises(ValueError):
+        mass_energy_absorption_coefficient("pasta")
+    with raises(ValueError):
+        mass_energy_absorption_coefficient("air", data_source="nist000")
diff --git a/tests/unit_tests/test_material.py b/tests/unit_tests/test_material.py
index 0b1b5fce2..58cd4d563 100644
--- a/tests/unit_tests/test_material.py
+++ b/tests/unit_tests/test_material.py
@@ -826,3 +826,58 @@ def test_material_from_constructor():
     assert mat2.density == 1e-7
     assert mat2.density_units == "g/cm3"
     assert mat2.nuclides == []
+
+
+def test_get_photon_contact_dose_rate():
+    # Set chain file for testing
+    openmc.config['chain_file'] = Path(__file__).parents[1] / 'chain_simple.xml'
+
+    # A purely stable material (Fe) should give zero dose
+    m_stable = openmc.Material()
+    m_stable.add_element('Fe', 1.0)
+    m_stable.set_density('g/cm3', 7.87)
+    assert m_stable.get_photon_contact_dose_rate('absorbed-air') == 0.0
+    assert m_stable.get_photon_contact_dose_rate('effective') == 0.0
+
+    # I135 has a Discrete photon source (lines)
+    m_i135 = openmc.Material()
+    m_i135.add_nuclide('I135', 1.0)
+    m_i135.set_density('atom/b-cm', 1.0)
+
+    cdr_abs = m_i135.get_photon_contact_dose_rate('absorbed-air')
+    cdr_eff = m_i135.get_photon_contact_dose_rate('effective')
+    assert cdr_abs == pytest.approx(6.091547e10, rel=1e-4)   # [Gy/h]
+    assert cdr_eff == pytest.approx(6.102167e10, rel=1e-4)   # [Sv/h]
+
+    # Xe135 has a Tabular photon source (continuous distribution)
+    m_xe135 = openmc.Material()
+    m_xe135.add_nuclide('Xe135', 1.0)
+    m_xe135.set_density('atom/b-cm', 1.0)
+
+    cdr_xe_abs = m_xe135.get_photon_contact_dose_rate('absorbed-air')
+    cdr_xe_eff = m_xe135.get_photon_contact_dose_rate('effective')
+    assert cdr_xe_abs == pytest.approx(7.886077e8, rel=1e-4)  # [Gy/h]
+    assert cdr_xe_eff == pytest.approx(9.488298e8, rel=1e-4)  # [Sv/h]
+
+    # by_nuclide=True should return a dict whose values sum to the total
+    cdr_by_nuc = m_i135.get_photon_contact_dose_rate('absorbed-air', by_nuclide=True)
+    assert isinstance(cdr_by_nuc, dict)
+    assert 'I135' in cdr_by_nuc
+    assert sum(cdr_by_nuc.values()) == pytest.approx(cdr_abs)
+
+    # For a mixed material the sum over nuclides must equal the total
+    m_mix = openmc.Material()
+    m_mix.add_nuclide('I135', 0.5)
+    m_mix.add_nuclide('Xe135', 0.5)
+    m_mix.set_density('atom/b-cm', 1.0)
+    cdr_mix_total = m_mix.get_photon_contact_dose_rate('absorbed-air')
+    cdr_mix_nuc = m_mix.get_photon_contact_dose_rate('absorbed-air', by_nuclide=True)
+    assert sum(cdr_mix_nuc.values()) == pytest.approx(cdr_mix_total)
+
+    # Input validation
+    with pytest.raises(ValueError):
+        m_i135.get_photon_contact_dose_rate('invalid-quantity')
+    with pytest.raises(TypeError):
+        m_i135.get_photon_contact_dose_rate('absorbed-air', build_up='two')
+    with pytest.raises(ValueError):
+        m_i135.get_photon_contact_dose_rate('absorbed-air', build_up=-1.0)
diff --git a/tests/unit_tests/test_mesh.py b/tests/unit_tests/test_mesh.py
index 9d07eda0d..aa8bcae5f 100644
--- a/tests/unit_tests/test_mesh.py
+++ b/tests/unit_tests/test_mesh.py
@@ -612,6 +612,7 @@ def test_mesh_get_homogenized_materials():
 
 @pytest.fixture
 def sphere_model():
+    openmc.reset_auto_ids()
     # Model with three materials separated by planes x=0 and z=0
     mats = []
     for i in range(3):

From b796afb5911860d6c22844108ee435fd93d7b5a9 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Wed, 4 Mar 2026 06:10:54 -0600
Subject: [PATCH 2559/2654] Correction to surface normal determination in
 SolidRayTrace plots (#3846)

---
 src/plot.cpp | 21 +++++++++++++++++----
 1 file changed, 17 insertions(+), 4 deletions(-)

diff --git a/src/plot.cpp b/src/plot.cpp
index 5e3342dd6..b03c51e7e 100644
--- a/src/plot.cpp
+++ b/src/plot.cpp
@@ -1847,7 +1847,10 @@ void PhongRay::on_intersection()
     // the normal or the diffuse lighting contribution
     reflected_ = true;
     result_color_ = plot_.colors_[hit_id];
-    Direction to_light = plot_.light_location_ - r();
+    // The ray has been advanced slightly past the boundary. Use an
+    // approximation to the actual hit point for stable normal/lighting.
+    Position r_hit = r() - TINY_BIT * u();
+    Direction to_light = plot_.light_location_ - r_hit;
     to_light /= to_light.norm();
 
     // TODO
@@ -1868,12 +1871,22 @@ void PhongRay::on_intersection()
     // Get surface pointer
     const auto& surf = model::surfaces.at(surface_index());
 
-    Direction normal = surf->normal(r_local());
+    // The crossed surface may be on a higher coordinate level than the
+    // innermost local coordinates, so we check the surface's coordinate level
+    // to find the appropriate coordinate level to use for the normal
+    // calculation
+    int surf_level = boundary().coord_level() - 1;
+    // ensure surface level is within bounds of current coordinate stack
+    surf_level = std::max(0, std::min(surf_level, n_coord() - 1));
+
+    Position r_hit_level =
+      coord(surf_level).r() - TINY_BIT * coord(surf_level).u();
+    Direction normal = surf->normal(r_hit_level);
     normal /= normal.norm();
 
-    // Need to apply translations to find the normal vector in
+    // Need to apply rotations to find the normal vector in
     // the base level universe's coordinate system.
-    for (int lev = n_coord() - 2; lev >= 0; --lev) {
+    for (int lev = surf_level - 1; lev >= 0; --lev) {
       if (coord(lev + 1).rotated()) {
         const Cell& c {*model::cells[coord(lev).cell()]};
         normal = normal.inverse_rotate(c.rotation_);

From 70be6500038174a313d2245ae9825ddb375444c5 Mon Sep 17 00:00:00 2001
From: GuySten <62616591+GuySten@users.noreply.github.com>
Date: Wed, 4 Mar 2026 14:17:48 +0200
Subject: [PATCH 2560/2654] Implement surface flux tallies (#3742)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 docs/source/io_formats/settings.rst           |  17 +++
 docs/source/methods/tallies.rst               |  66 +++++++++-
 docs/source/usersguide/tallies.rst            |  13 +-
 include/openmc/settings.h                     |   2 +
 include/openmc/tallies/tally_scoring.h        |  12 +-
 openmc/settings.py                            |  55 ++++++++
 src/finalize.cpp                              |   2 +
 src/particle.cpp                              |  25 ++--
 src/settings.cpp                              |  10 ++
 src/tallies/filter_surface.cpp                |   6 +-
 src/tallies/tally.cpp                         |  48 +++++--
 src/tallies/tally_scoring.cpp                 |  66 +++++++++-
 .../filter_musurface/inputs_true.dat          |   2 +-
 .../filter_musurface/results_true.dat         |   8 ++
 .../regression_tests/filter_musurface/test.py |   5 +-
 .../surface_tally/results_true.dat            |  16 +--
 tests/regression_tests/surface_tally/test.py  |   1 -
 tests/unit_tests/test_settings.py             |   4 +
 tests/unit_tests/test_surface_flux.py         | 120 ++++++++++++++++++
 19 files changed, 424 insertions(+), 54 deletions(-)
 create mode 100644 tests/unit_tests/test_surface_flux.py

diff --git a/docs/source/io_formats/settings.rst b/docs/source/io_formats/settings.rst
index db72984a6..e4ab0e169 100644
--- a/docs/source/io_formats/settings.rst
+++ b/docs/source/io_formats/settings.rst
@@ -1234,6 +1234,23 @@ attributes/sub-elements:
           are not eligible to store any particles when using ``cell``, ``cellfrom``
           or ``cellto`` attributes. It is recommended to use surface IDs instead.
 
+------------------------------------
+``<surface_grazing_cutoff>`` Element
+------------------------------------
+
+The ``<surface_grazing_cutoff>`` element specifies the surface flux cosine cutoff.
+
+  *Default*: 0.001
+
+-----------------------------------
+``<surface_grazing_ratio>`` Element
+-----------------------------------
+
+The ``<surface_grazing_ratio>`` element specifies the surface flux cosine 
+substitution ratio.
+
+  *Default*: 0.5
+
 ------------------------------
 ``<survival_biasing>`` Element
 ------------------------------
diff --git a/docs/source/methods/tallies.rst b/docs/source/methods/tallies.rst
index 27a3f873a..f2c22ab22 100644
--- a/docs/source/methods/tallies.rst
+++ b/docs/source/methods/tallies.rst
@@ -205,7 +205,71 @@ had a collision at every event. Thus, for tallies with outgoing-energy filters
 or for tallies of scattering moments (which require the scattering cosine of
 the change-in-angle), we must use an analog estimator.
 
-.. TODO: Add description of surface current tallies
+-----------------------------------
+Surface-Integrated Flux and Current
+-----------------------------------
+
+Surface tallies allow you to measure particle behavior as they cross specific
+boundaries in your geometry. Unlike volume tallies, which integrate over a
+volumetric region, surface tallies capture the current or flux passing through a
+surface. Surface tallies are estimated using an analog estimator.
+
+Current Score
+-------------
+
+When tallying the current across a surface, we simply count the weight of
+particles that cross the surface of interest:
+
+
+.. math::
+    :label: analog-current-estimator
+
+    J = \frac{1}{W} \sum_{i \in S} w_i.
+
+where :math:`J` is the area-integrated current passing through surface
+:math:`S`, :math:`W` is the total starting weight of the particles, and
+:math:`w_i` is the weight of the particle as it crosses the surface :math:`S`.
+
+Flux Score
+----------
+
+When tallying flux over a surface, we use the relationship between current and
+flux:
+
+
+.. math::
+    :label: surface-flux-estimator
+
+    \phi_S = \frac{1}{W} \sum_{i \in S} \frac{w_i}{|\mu|}.
+
+where :math:`\phi_S` is the area-integrated flux over surface :math:`S`,
+:math:`W` is the total starting weight of the particles, :math:`w_i` is the
+weight of the particle as it crosses the surface :math:`S` and :math:`\mu` is
+the cosine of angle between the particle direction and the surface normal.
+
+This equation diverges when the particle crossing the surface is nearly parallel
+to it (that is, as :math:`\mu` approaches zero). To remove this divergence,
+OpenMC scores:
+
+.. math::
+    :label: modified-surface-flux-estimator
+
+    \phi_S = \frac{1}{W} \sum_{i \in S} w_i f(\mu).
+
+and the function :math:`f` is defined by:
+
+.. math::
+     f(\mu) = \begin{cases}
+      \frac{1}{|\mu|} & |\mu| > \mu_\text{cut} \\
+      \frac{1}{c\mu_\text{cut}} & |\mu| \le \mu_\text{cut}
+     \end{cases}
+
+where :math:`\mu_\text{cut}` is the grazing cosine cutoff and :math:`c` is the
+cosine substitution ratio. The parameters :math:`\mu_\text{cut}` and :math:`c`
+can be set by the user via the :attr:`openmc.Settings.surface_grazing_cutoff`
+and :attr:`openmc.Settings.surface_grazing_ratio` attributes, respectively. The
+default values for these parameters are 0.001 and 0.5 as recommended by
+`Favorite, Thomas, and Booth <https://doi.org/10.13182/NSE09-72>`_.
 
 .. _tallies_statistics:
 
diff --git a/docs/source/usersguide/tallies.rst b/docs/source/usersguide/tallies.rst
index 5b5630556..20a89cea7 100644
--- a/docs/source/usersguide/tallies.rst
+++ b/docs/source/usersguide/tallies.rst
@@ -261,18 +261,21 @@ The following tables show all valid scores:
     +----------------------+---------------------------------------------------+
     |Score                 | Description                                       |
     +======================+===================================================+
-    |current               |Used in combination with a meshsurface filter:     |
+    |current               |It may not be used in conjunction with any other   |
+    |                      |score except flux.                                 |
+    |                      |                                                   |
+    |                      |When used in combination with a meshsurface filter:|
     |                      |Partial currents on the boundaries of each cell in |
-    |                      |a mesh. It may not be used in conjunction with any |
-    |                      |other score. Only energy and mesh filters may be   |
-    |                      |used.                                              |
-    |                      |Used in combination with a surface filter:         |
+    |                      |a mesh.                                            |
+    |                      |                                                   |
+    |                      |When used in combination with a surface filter:    |
     |                      |Net currents on any surface previously defined in  |
     |                      |the geometry. It may be used along with any other  |
     |                      |filter, except meshsurface filters.                |
     |                      |Surfaces can alternatively be defined with cell    |
     |                      |from and cell filters thereby resulting in tallying|
     |                      |partial currents.                                  |
+    |                      |                                                   |
     |                      |Units are particles per source particle.           |
     +----------------------+---------------------------------------------------+
     |events                |Number of scoring events. Units are events per     |
diff --git a/include/openmc/settings.h b/include/openmc/settings.h
index b369c99fe..19ef6e5d2 100644
--- a/include/openmc/settings.h
+++ b/include/openmc/settings.h
@@ -181,6 +181,8 @@ extern int64_t ssw_cell_id;       //!< Cell id for the surface source
                                   //!< write setting
 extern SSWCellType ssw_cell_type; //!< Type of option for the cell
                                   //!< argument of surface source write
+extern double surface_grazing_cutoff; //!< surface flux cosine cutoff
+extern double surface_grazing_ratio;  //!< surface flux substitution ratio
 extern TemperatureMethod
   temperature_method; //!< method for choosing temperatures
 extern double
diff --git a/include/openmc/tallies/tally_scoring.h b/include/openmc/tallies/tally_scoring.h
index c3ab779e6..29b3ec6e5 100644
--- a/include/openmc/tallies/tally_scoring.h
+++ b/include/openmc/tallies/tally_scoring.h
@@ -101,11 +101,19 @@ void score_tracklength_tally(Particle& p, double distance);
 //! \param total_distance The distance in [cm] traveled by the particle
 void score_timed_tracklength_tally(Particle& p, double total_distance);
 
-//! Score surface or mesh-surface tallies for particle currents.
+//! Score mesh-surface tallies for particle currents.
 //
 //! \param p The particle being tracked
 //! \param tallies A vector of the indices of the tallies to score to
-void score_surface_tally(Particle& p, const vector<int>& tallies);
+void score_meshsurface_tally(Particle& p, const vector<int>& tallies);
+
+//! Score surface tallies for particle currents.
+//
+//! \param p The particle being tracked
+//! \param tallies A vector of the indices of the tallies to score to
+//! \param surf The surface being crossed
+void score_surface_tally(
+  Particle& p, const vector<int>& tallies, const Surface& surf);
 
 //! Score the pulse-height tally
 //! This is triggered at the end of every particle history
diff --git a/openmc/settings.py b/openmc/settings.py
index 2ad1d06e7..342fd5e53 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -289,6 +289,14 @@ class Settings:
         :cellto: Cell ID used to determine if particles crossing identified
                  surfaces are to be banked. Particles going to this declared
                  cell will be banked (int)
+    surface_grazing_cutoff : float
+        Surface flux cosine cutoff. If not specified, the default value is
+        0.001. For more information, see the surface tally section in the theory
+        manual.
+    surface_grazing_ratio : float
+        Surface flux cosine substitution ratio. If not specified, the default
+        value is 0.5. For more information, see the surface tally section in the
+        theory manual.
     survival_biasing : bool
         Indicate whether survival biasing is to be used
     tabular_legendre : dict
@@ -399,6 +407,8 @@ class Settings:
         self._uniform_source_sampling = None
         self._seed = None
         self._stride = None
+        self._surface_grazing_cutoff = None
+        self._surface_grazing_ratio = None
         self._survival_biasing = None
         self._free_gas_threshold = None
 
@@ -710,6 +720,27 @@ class Settings:
         cv.check_greater_than('random number generator stride', stride, 0)
         self._stride = stride
 
+    @property
+    def surface_grazing_cutoff(self) -> float:
+        return self._surface_grazing_cutoff
+
+    @surface_grazing_cutoff.setter
+    def surface_grazing_cutoff(self, surface_grazing_cutoff: float):
+        cv.check_type('surface grazing cutoff', surface_grazing_cutoff, float)
+        cv.check_greater_than('surface grazing cutoff', surface_grazing_cutoff, 0.0)
+        cv.check_less_than('surface grazing cutoff', surface_grazing_cutoff, 1.0)
+        self._surface_grazing_cutoff = surface_grazing_cutoff
+
+    @property
+    def surface_grazing_ratio(self) -> float:
+        return self._surface_grazing_ratio
+
+    @surface_grazing_ratio.setter
+    def surface_grazing_ratio(self, surface_grazing_ratio: float):
+        cv.check_type('surface grazing ratio', surface_grazing_ratio, float)
+        cv.check_greater_than('surface grazing ratio', surface_grazing_ratio, 0.0)
+        self._surface_grazing_ratio = surface_grazing_ratio
+
     @property
     def survival_biasing(self) -> bool:
         return self._survival_biasing
@@ -1625,6 +1656,16 @@ class Settings:
             element = ET.SubElement(root, "stride")
             element.text = str(self._stride)
 
+    def _create_surface_grazing_cutoff_subelement(self, root):
+        if self._surface_grazing_cutoff is not None:
+            element = ET.SubElement(root, "surface_grazing_cutoff")
+            element.text = str(self._surface_grazing_cutoff)
+
+    def _create_surface_grazing_ratio_subelement(self, root):
+        if self._surface_grazing_ratio is not None:
+            element = ET.SubElement(root, "surface_grazing_ratio")
+            element.text = str(self._surface_grazing_ratio)
+
     def _create_survival_biasing_subelement(self, root):
         if self._survival_biasing is not None:
             element = ET.SubElement(root, "survival_biasing")
@@ -2128,6 +2169,16 @@ class Settings:
         if text is not None:
             self.stride = int(text)
 
+    def _surface_grazing_cutoff_from_xml_element(self, root):
+        text = get_text(root, 'surface_grazing_cutoff')
+        if text is not None:
+            self.surface_grazing_cutoff = float(text)
+
+    def _surface_grazing_ratio_from_xml_element(self, root):
+        text = get_text(root, 'surface_grazing_ratio')
+        if text is not None:
+            self.surface_grazing_ratio = float(text)
+
     def _survival_biasing_from_xml_element(self, root):
         text = get_text(root, 'survival_biasing')
         if text is not None:
@@ -2435,6 +2486,8 @@ class Settings:
         self._create_ptables_subelement(element)
         self._create_seed_subelement(element)
         self._create_stride_subelement(element)
+        self._create_surface_grazing_cutoff_subelement(element)
+        self._create_surface_grazing_ratio_subelement(element)
         self._create_survival_biasing_subelement(element)
         self._create_cutoff_subelement(element)
         self._create_entropy_mesh_subelement(element, mesh_memo)
@@ -2549,6 +2602,8 @@ class Settings:
         settings._ptables_from_xml_element(elem)
         settings._seed_from_xml_element(elem)
         settings._stride_from_xml_element(elem)
+        settings._surface_grazing_cutoff_from_xml_element(elem)
+        settings._surface_grazing_ratio_from_xml_element(elem)
         settings._survival_biasing_from_xml_element(elem)
         settings._cutoff_from_xml_element(elem)
         settings._entropy_mesh_from_xml_element(elem, meshes)
diff --git a/src/finalize.cpp b/src/finalize.cpp
index 4ac6d09f3..e82e00b4c 100644
--- a/src/finalize.cpp
+++ b/src/finalize.cpp
@@ -123,6 +123,8 @@ int openmc_finalize()
   settings::restart_run = false;
   settings::run_CE = true;
   settings::run_mode = RunMode::UNSET;
+  settings::surface_grazing_cutoff = 0.001;
+  settings::surface_grazing_ratio = 0.5;
   settings::solver_type = SolverType::MONTE_CARLO;
   settings::source_latest = false;
   settings::source_rejection_fraction = 0.05;
diff --git a/src/particle.cpp b/src/particle.cpp
index 8d0e5b3f0..0a0635598 100644
--- a/src/particle.cpp
+++ b/src/particle.cpp
@@ -302,6 +302,8 @@ void Particle::event_cross_surface()
   surface() = boundary().surface();
   n_coord() = boundary().coord_level();
 
+  const auto& surf {*model::surfaces[surface_index()].get()};
+
   if (boundary().lattice_translation()[0] != 0 ||
       boundary().lattice_translation()[1] != 0 ||
       boundary().lattice_translation()[2] != 0) {
@@ -312,15 +314,14 @@ void Particle::event_cross_surface()
     event() = TallyEvent::LATTICE;
   } else {
     // Particle crosses surface
-    const auto& surf {model::surfaces[surface_index()].get()};
     // If BC, add particle to surface source before crossing surface
-    if (surf->surf_source_ && surf->bc_) {
-      add_surf_source_to_bank(*this, *surf);
+    if (surf.surf_source_ && surf.bc_) {
+      add_surf_source_to_bank(*this, surf);
     }
-    this->cross_surface(*surf);
+    this->cross_surface(surf);
     // If no BC, add particle to surface source after crossing surface
-    if (surf->surf_source_ && !surf->bc_) {
-      add_surf_source_to_bank(*this, *surf);
+    if (surf.surf_source_ && !surf.bc_) {
+      add_surf_source_to_bank(*this, surf);
     }
     if (settings::weight_window_checkpoint_surface) {
       apply_weight_windows(*this);
@@ -329,7 +330,7 @@ void Particle::event_cross_surface()
   }
   // Score cell to cell partial currents
   if (!model::active_surface_tallies.empty()) {
-    score_surface_tally(*this, model::active_surface_tallies);
+    score_surface_tally(*this, model::active_surface_tallies, surf);
   }
 }
 
@@ -346,7 +347,7 @@ void Particle::event_collide()
   // pre-collision direction to figure out what mesh surfaces were crossed
 
   if (!model::active_meshsurf_tallies.empty())
-    score_surface_tally(*this, model::active_meshsurf_tallies);
+    score_meshsurface_tally(*this, model::active_meshsurf_tallies);
 
   // Clear surface component
   surface() = SURFACE_NONE;
@@ -648,7 +649,7 @@ void Particle::cross_vacuum_bc(const Surface& surf)
     // physically moving the particle forward slightly
 
     r() += TINY_BIT * u();
-    score_surface_tally(*this, model::active_meshsurf_tallies);
+    score_meshsurface_tally(*this, model::active_meshsurf_tallies);
   }
 
   // Score to global leakage tally
@@ -680,13 +681,13 @@ void Particle::cross_reflective_bc(const Surface& surf, Direction new_u)
   // with a mesh boundary
 
   if (!model::active_surface_tallies.empty()) {
-    score_surface_tally(*this, model::active_surface_tallies);
+    score_surface_tally(*this, model::active_surface_tallies, surf);
   }
 
   if (!model::active_meshsurf_tallies.empty()) {
     Position r {this->r()};
     this->r() -= TINY_BIT * u();
-    score_surface_tally(*this, model::active_meshsurf_tallies);
+    score_meshsurface_tally(*this, model::active_meshsurf_tallies);
     this->r() = r;
   }
 
@@ -736,7 +737,7 @@ void Particle::cross_periodic_bc(
   if (!model::active_meshsurf_tallies.empty()) {
     Position r {this->r()};
     this->r() -= TINY_BIT * u();
-    score_surface_tally(*this, model::active_meshsurf_tallies);
+    score_meshsurface_tally(*this, model::active_meshsurf_tallies);
     this->r() = r;
   }
 
diff --git a/src/settings.cpp b/src/settings.cpp
index ee8edd4a5..6b159f6e9 100644
--- a/src/settings.cpp
+++ b/src/settings.cpp
@@ -136,6 +136,8 @@ int64_t ssw_max_particles;
 int64_t ssw_max_files;
 int64_t ssw_cell_id {C_NONE};
 SSWCellType ssw_cell_type {SSWCellType::None};
+double surface_grazing_cutoff {0.001};
+double surface_grazing_ratio {0.5};
 TemperatureMethod temperature_method {TemperatureMethod::NEAREST};
 double temperature_tolerance {10.0};
 double temperature_default {293.6};
@@ -678,6 +680,14 @@ void read_settings_xml(pugi::xml_node root)
     free_gas_threshold = std::stod(get_node_value(root, "free_gas_threshold"));
   }
 
+  // Surface grazing
+  if (check_for_node(root, "surface_grazing_cutoff"))
+    surface_grazing_cutoff =
+      std::stod(get_node_value(root, "surface_grazing_cutoff"));
+  if (check_for_node(root, "surface_grazing_ratio"))
+    surface_grazing_ratio =
+      std::stod(get_node_value(root, "surface_grazing_ratio"));
+
   // Survival biasing
   if (check_for_node(root, "survival_biasing")) {
     survival_biasing = get_node_value_bool(root, "survival_biasing");
diff --git a/src/tallies/filter_surface.cpp b/src/tallies/filter_surface.cpp
index 82f3d7178..4a636f1aa 100644
--- a/src/tallies/filter_surface.cpp
+++ b/src/tallies/filter_surface.cpp
@@ -52,11 +52,7 @@ void SurfaceFilter::get_all_bins(
   auto search = map_.find(p.surface_index());
   if (search != map_.end()) {
     match.bins_.push_back(search->second);
-    if (p.surface() < 0) {
-      match.weights_.push_back(-1.0);
-    } else {
-      match.weights_.push_back(1.0);
-    }
+    match.weights_.push_back(1.0);
   }
 }
 
diff --git a/src/tallies/tally.cpp b/src/tallies/tally.cpp
index 13225adca..3fe48c1b0 100644
--- a/src/tallies/tally.cpp
+++ b/src/tallies/tally.cpp
@@ -540,6 +540,8 @@ void Tally::set_scores(const vector<std::string>& scores)
   bool legendre_present = false;
   bool cell_present = false;
   bool cellfrom_present = false;
+  bool material_present = false;
+  bool materialfrom_present = false;
   bool surface_present = false;
   bool meshsurface_present = false;
   bool non_cell_energy_present = false;
@@ -556,12 +558,21 @@ void Tally::set_scores(const vector<std::string>& scores)
       cellfrom_present = true;
     } else if (filt->type() == FilterType::CELL) {
       cell_present = true;
+    } else if (filt->type() == FilterType::MATERIALFROM) {
+      materialfrom_present = true;
+    } else if (filt->type() == FilterType::MATERIAL) {
+      material_present = true;
     } else if (filt->type() == FilterType::SURFACE) {
       surface_present = true;
     } else if (filt->type() == FilterType::MESH_SURFACE) {
       meshsurface_present = true;
     }
   }
+  bool surface_types_present =
+    (surface_present || cellfrom_present || materialfrom_present);
+  bool non_meshsurface_types_present =
+    (surface_present || cell_present || cellfrom_present || material_present ||
+      materialfrom_present);
 
   // Iterate over the given scores.
   for (auto score_str : scores) {
@@ -583,6 +594,12 @@ void Tally::set_scores(const vector<std::string>& scores)
           fatal_error("Cannot tally flux for an individual nuclide.");
       if (energyout_present)
         fatal_error("Cannot tally flux with an outgoing energy filter.");
+      if (surface_types_present) {
+        if (meshsurface_present)
+          fatal_error("OpenMC does not support mesh surface fluxes yet");
+        type_ = TallyType::SURFACE;
+        estimator_ = TallyEstimator::ANALOG;
+      }
       break;
 
     case SCORE_TOTAL:
@@ -615,16 +632,14 @@ void Tally::set_scores(const vector<std::string>& scores)
 
     case SCORE_CURRENT:
       // Check which type of current is desired: mesh or surface currents.
-      if (surface_present || cell_present || cellfrom_present) {
-        if (meshsurface_present)
+      if (meshsurface_present) {
+        if (non_meshsurface_types_present)
           fatal_error("Cannot tally mesh surface currents in the same tally as "
                       "normal surface currents");
-        type_ = TallyType::SURFACE;
-        estimator_ = TallyEstimator::ANALOG;
-      } else if (meshsurface_present) {
         type_ = TallyType::MESH_SURFACE;
       } else {
-        fatal_error("Cannot tally currents without surface type filters");
+        type_ = TallyType::SURFACE;
+        estimator_ = TallyEstimator::ANALOG;
       }
       break;
 
@@ -681,15 +696,20 @@ void Tally::set_scores(const vector<std::string>& scores)
                     "in multi-group mode");
   }
 
-  // Make sure current scores are not mixed in with volumetric scores.
-  if (type_ == TallyType::SURFACE || type_ == TallyType::MESH_SURFACE) {
-    if (scores_.size() != 1)
-      fatal_error("Cannot tally other scores in the same tally as surface "
-                  "currents.");
+  // Make sure mesh surface tallies contain only current score.
+  if (meshsurface_present) {
+    if ((scores_[0] != SCORE_CURRENT) || (scores_.size() > 1))
+      fatal_error("Cannot tally score other than 'current' when using a "
+                  "mesh-surface filter.");
+  }
+
+  // Make sure surface tallies contain only surface type scores score.
+  if (type_ == TallyType::SURFACE) {
+    for (auto sc : scores_)
+      if ((sc != SCORE_CURRENT) && (sc != SCORE_FLUX))
+        fatal_error("Cannot tally scores other than 'current' or 'flux' "
+                    "when using surface filters.");
   }
-  if ((surface_present || meshsurface_present) && scores_[0] != SCORE_CURRENT)
-    fatal_error("Cannot tally score other than 'current' when using a surface "
-                "or mesh-surface filter.");
 }
 
 void Tally::set_nuclides(pugi::xml_node node)
diff --git a/src/tallies/tally_scoring.cpp b/src/tallies/tally_scoring.cpp
index cc7b16f44..4210b034a 100644
--- a/src/tallies/tally_scoring.cpp
+++ b/src/tallies/tally_scoring.cpp
@@ -14,6 +14,7 @@
 #include "openmc/settings.h"
 #include "openmc/simulation.h"
 #include "openmc/string_utils.h"
+#include "openmc/surface.h"
 #include "openmc/tallies/derivative.h"
 #include "openmc/tallies/filter.h"
 #include "openmc/tallies/filter_cell.h"
@@ -2610,7 +2611,7 @@ void score_collision_tally(Particle& p)
     match.bins_present_ = false;
 }
 
-void score_surface_tally(Particle& p, const vector<int>& tallies)
+void score_meshsurface_tally(Particle& p, const vector<int>& tallies)
 {
   double current = p.wgt_last();
 
@@ -2654,6 +2655,69 @@ void score_surface_tally(Particle& p, const vector<int>& tallies)
     match.bins_present_ = false;
 }
 
+void score_surface_tally(
+  Particle& p, const vector<int>& tallies, const Surface& surf)
+{
+  double wgt = p.wgt_last();
+
+  // Sign for net current: +1 if crossing outward (in direction of normal),
+  // -1 if crossing inward
+  double current_sign = (p.surface() > 0) ? 1.0 : -1.0;
+
+  // Determine absolute cosine of angle between particle direction and surface
+  // normal, needed for the surface-crossing flux estimator.
+  auto n = surf.normal(p.r());
+  n /= n.norm();
+  double abs_mu = std::min(std::abs(p.u().dot(n)), 1.0);
+  if (abs_mu < settings::surface_grazing_cutoff)
+    abs_mu = settings::surface_grazing_ratio * settings::surface_grazing_cutoff;
+
+  for (auto i_tally : tallies) {
+    auto& tally {*model::tallies[i_tally]};
+
+    // Initialize an iterator over valid filter bin combinations. If there are
+    // no valid combinations, use a continue statement to ensure we skip the
+    // assume_separate break below.
+    auto filter_iter = FilterBinIter(tally, p);
+    auto end = FilterBinIter(tally, true, &p.filter_matches());
+    if (filter_iter == end)
+      continue;
+
+    // Loop over filter bins.
+    for (; filter_iter != end; ++filter_iter) {
+      auto filter_index = filter_iter.index_;
+      auto filter_weight = filter_iter.weight_;
+
+      // Loop over scores.
+      for (auto score_index = 0; score_index < tally.scores_.size();
+           ++score_index) {
+        auto score_bin = tally.scores_[score_index];
+        double score;
+        if (score_bin == SCORE_CURRENT) {
+          // Net current: weight carries the sign of the crossing direction.
+          score = wgt * current_sign;
+        } else {
+          // SCORE_FLUX: surface-crossing estimator phi_S = sum(w / |mu|).
+          score = wgt / abs_mu;
+        }
+#pragma omp atomic
+        tally.results_(filter_index, score_index, TallyResult::VALUE) +=
+          score * filter_weight;
+      }
+    }
+    // If the user has specified that we can assume all tallies are spatially
+    // separate, this implies that once a tally has been scored to, we needn't
+    // check the others. This cuts down on overhead when there are many
+    // tallies specified
+    if (settings::assume_separate)
+      break;
+  }
+
+  // Reset all the filter matches for the next tally event.
+  for (auto& match : p.filter_matches())
+    match.bins_present_ = false;
+}
+
 void score_pulse_height_tally(Particle& p, const vector<int>& tallies)
 {
   // The pulse height tally in OpenMC hijacks the logic of CellFilter and
diff --git a/tests/regression_tests/filter_musurface/inputs_true.dat b/tests/regression_tests/filter_musurface/inputs_true.dat
index 6db8543c2..b457f5028 100644
--- a/tests/regression_tests/filter_musurface/inputs_true.dat
+++ b/tests/regression_tests/filter_musurface/inputs_true.dat
@@ -31,7 +31,7 @@
     </filter>
     <tally id="1">
       <filters>1 2</filters>
-      <scores>current</scores>
+      <scores>current flux</scores>
     </tally>
   </tallies>
 </model>
diff --git a/tests/regression_tests/filter_musurface/results_true.dat b/tests/regression_tests/filter_musurface/results_true.dat
index 4cdd7dbf5..657c141a0 100644
--- a/tests/regression_tests/filter_musurface/results_true.dat
+++ b/tests/regression_tests/filter_musurface/results_true.dat
@@ -5,7 +5,15 @@ tally 1:
 0.000000E+00
 0.000000E+00
 0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
 9.230000E-01
 1.791510E-01
+3.294304E+00
+2.314403E+00
 3.869000E+00
 3.002523E+00
+5.154125E+00
+5.314334E+00
diff --git a/tests/regression_tests/filter_musurface/test.py b/tests/regression_tests/filter_musurface/test.py
index f2ec96b49..bfc12a47c 100644
--- a/tests/regression_tests/filter_musurface/test.py
+++ b/tests/regression_tests/filter_musurface/test.py
@@ -1,6 +1,3 @@
-import numpy as np
-from math import pi
-
 import openmc
 import pytest
 
@@ -32,7 +29,7 @@ def model():
     mu_filter = openmc.MuSurfaceFilter([-1.0, -0.5, 0.0, 0.5, 1.0])
     tally = openmc.Tally()
     tally.filters = [surf_filter, mu_filter]
-    tally.scores = ['current']
+    tally.scores = ['current', 'flux']
     model.tallies.append(tally)
 
     return model
diff --git a/tests/regression_tests/surface_tally/results_true.dat b/tests/regression_tests/surface_tally/results_true.dat
index 70d5cad2c..e50102a88 100644
--- a/tests/regression_tests/surface_tally/results_true.dat
+++ b/tests/regression_tests/surface_tally/results_true.dat
@@ -15,14 +15,14 @@ mean,std. dev.
 5.5000000e-03,1.0979779e-03
 1.2500000e-02,1.5438048e-03
 4.4700000e-02,1.9035055e-03
-7.3000000e-03,9.8938814e-04
-3.6600000e-02,2.5086517e-03
-4.1600000e-02,2.4864075e-03
-4.2380000e-01,9.6087923e-03
-1.0000000e-04,1.0000000e-04
-1.5000000e-03,4.5338235e-04
-3.0000000e-04,1.5275252e-04
-1.7300000e-02,1.4609738e-03
+-7.3000000e-03,9.8938814e-04
+-3.6600000e-02,2.5086517e-03
+-4.1600000e-02,2.4864075e-03
+-4.2380000e-01,9.6087923e-03
+-1.0000000e-04,1.0000000e-04
+-1.5000000e-03,4.5338235e-04
+-3.0000000e-04,1.5275252e-04
+-1.7300000e-02,1.4609738e-03
 -7.3000000e-03,9.8938814e-04
 -3.6600000e-02,2.5086517e-03
 -4.1600000e-02,2.4864075e-03
diff --git a/tests/regression_tests/surface_tally/test.py b/tests/regression_tests/surface_tally/test.py
index e496ac0f6..aa03a8aa2 100644
--- a/tests/regression_tests/surface_tally/test.py
+++ b/tests/regression_tests/surface_tally/test.py
@@ -169,7 +169,6 @@ class SurfaceTallyTestHarness(PyAPITestHarness):
         # Extract the relevant data as a CSV string.
         cols = ('mean', 'std. dev.')
         return df.to_csv(None, columns=cols, index=False, float_format='%.7e')
-        return outstr
 
 
 def test_surface_tally():
diff --git a/tests/unit_tests/test_settings.py b/tests/unit_tests/test_settings.py
index fe618fd2d..9f693802c 100644
--- a/tests/unit_tests/test_settings.py
+++ b/tests/unit_tests/test_settings.py
@@ -21,6 +21,8 @@ def test_export_to_xml(run_in_tmpdir):
     s.statepoint = {'batches': [50, 150, 500, 1000]}
     s.surf_source_read = {'path': 'surface_source_1.h5'}
     s.surf_source_write = {'surface_ids': [2], 'max_particles': 200}
+    s.surface_grazing_ratio = 0.7
+    s.surface_grazing_cutoff = 0.1     
     s.confidence_intervals = True
     s.ptables = True
     s.plot_seed = 100
@@ -107,6 +109,8 @@ def test_export_to_xml(run_in_tmpdir):
     assert s.statepoint == {'batches': [50, 150, 500, 1000]}
     assert s.surf_source_read['path'].name == 'surface_source_1.h5'
     assert s.surf_source_write == {'surface_ids': [2], 'max_particles': 200}
+    assert s.surface_grazing_ratio == 0.7
+    assert s.surface_grazing_cutoff == 0.1     
     assert s.confidence_intervals
     assert s.ptables
     assert s.plot_seed == 100
diff --git a/tests/unit_tests/test_surface_flux.py b/tests/unit_tests/test_surface_flux.py
new file mode 100644
index 000000000..4e067ffe2
--- /dev/null
+++ b/tests/unit_tests/test_surface_flux.py
@@ -0,0 +1,120 @@
+"""Tests for surface flux tallying via flux score + SurfaceFilter."""
+
+import math
+import pytest
+
+import openmc
+
+
+@pytest.fixture
+def two_cell_model():
+    """Simple two-cell slab model with a monodirectional fixed source.
+
+    Cell1 occupies x in [-10, 0], cell2 x in [0, 10].  The source fires all
+    particles from (-5, 0, 0) in the +x direction with weight 1.  Every
+    particle therefore crosses the surface at x=0 from cell1 into cell2 at
+    mu = 1 (normal incidence).
+    """
+    openmc.reset_auto_ids()
+    model = openmc.Model()
+
+    xmin = openmc.XPlane(-10.0, boundary_type="vacuum")
+    xmid = openmc.XPlane(0.0)
+    xmax = openmc.XPlane(10.0, boundary_type="vacuum")
+    ymin = openmc.YPlane(-10.0, boundary_type="vacuum")
+    ymax = openmc.YPlane(10.0, boundary_type="vacuum")
+    zmin = openmc.ZPlane(-10.0, boundary_type="vacuum")
+    zmax = openmc.ZPlane(10.0, boundary_type="vacuum")
+
+    cell1 = openmc.Cell(region=+xmin & -xmid & +ymin & -ymax & +zmin & -zmax)
+    cell2 = openmc.Cell(region=+xmid & -xmax & +ymin & -ymax & +zmin & -zmax)
+    model.geometry = openmc.Geometry([cell1, cell2])
+
+    src = openmc.IndependentSource()
+    src.space = openmc.stats.Point((-5.0, 0.0, 0.0))
+    src.angle = openmc.stats.Monodirectional((1.0, 0.0, 0.0))
+
+    model.settings.run_mode = 'fixed source'
+    model.settings.batches = 1
+    model.settings.particles = 100
+    model.settings.source = src
+
+    return model, xmid, cell1, cell2
+
+
+def test_surface_filter_flux_normal_incidence(two_cell_model, run_in_tmpdir):
+    """SurfaceFilter + flux at mu=1 gives w/|mu| = 1.0 per source particle."""
+    model, xmid, *_ = two_cell_model
+
+    surf_filter = openmc.SurfaceFilter([xmid])
+    flux_tally = openmc.Tally()
+    flux_tally.filters = [surf_filter]
+    flux_tally.scores = ['flux']
+    model.tallies = [flux_tally]
+
+    model.run(apply_tally_results=True)
+    flux_mean = flux_tally.mean.flat[0]
+
+    # Every particle crosses at mu=1 with weight 1, so flux = 1.0
+    assert flux_mean == pytest.approx(1.0, rel=1e-8)
+
+
+def test_surface_filter_current_outward(two_cell_model, run_in_tmpdir):
+    """SurfaceFilter + current gives +1.0 for purely outward crossings."""
+    model, xmid, *_ = two_cell_model
+
+    surf_filter = openmc.SurfaceFilter([xmid])
+    current_tally = openmc.Tally()
+    current_tally.filters = [surf_filter]
+    current_tally.scores = ['current']
+    model.tallies = [current_tally]
+
+    model.run(apply_tally_results=True)
+    current_mean = current_tally.mean.flat[0]
+
+    # All crossings are outward → net current = +1.0
+    assert current_mean == pytest.approx(1.0)
+
+
+def test_surface_filter_flux_angled(two_cell_model, run_in_tmpdir):
+    """Surface flux at 60-degree incidence gives w/|mu| = 2.0."""
+    model, xmid, *_ = two_cell_model
+
+    # Modify source to use 60-degree angle from normal: mu = cos(60°) = 0.5
+    mu = ux = 0.5
+    uy = math.sqrt(1.0 - ux**2)
+    model.settings.source[0].angle = openmc.stats.Monodirectional((ux, uy, 0.0))
+
+    surf_filter = openmc.SurfaceFilter([xmid])
+    flux_tally = openmc.Tally()
+    flux_tally.filters = [surf_filter]
+    flux_tally.scores = ['flux']
+    model.tallies = [flux_tally]
+
+    model.run(apply_tally_results=True)
+    flux_mean = flux_tally.mean.flat[0]
+
+    # flux = w/|mu| = 1/0.5 = 2.0
+    assert flux_mean == pytest.approx(1.0 / mu)
+
+
+def test_cellfrom_filter_flux_directional(two_cell_model, run_in_tmpdir):
+    """SurfaceFilter + CellFromFilter + flux scores only the correct direction."""
+    model, xmid, cell1, cell2 = two_cell_model
+
+    surf_filter = openmc.SurfaceFilter([xmid])
+    cellfrom_filter = openmc.CellFromFilter([cell1, cell2])
+
+    tally = openmc.Tally()
+    tally.filters = [surf_filter, cellfrom_filter]
+    tally.scores = ['flux']
+
+    model.tallies = [tally]
+    model.run(apply_tally_results=True)
+    mean_from1 = tally.mean.flat[0]
+    mean_from2 = tally.mean.flat[1]
+
+    # All particles cross xmid from cell1 at mu=1 → flux = 1.0
+    assert mean_from1 == pytest.approx(1.0)
+    # No particles cross xmid from cell2 → flux = 0
+    assert mean_from2 == pytest.approx(0.0)

From 0ab46dfa350eeb728125446e6b33af7bf497a9be Mon Sep 17 00:00:00 2001
From: GuySten <62616591+GuySten@users.noreply.github.com>
Date: Wed, 4 Mar 2026 14:56:49 +0200
Subject: [PATCH 2561/2654] Fix cell data parsing (#3848)

---
 openmc/cell.py                 | 11 ++---------
 tests/unit_tests/test_model.py |  8 ++++----
 2 files changed, 6 insertions(+), 13 deletions(-)

diff --git a/openmc/cell.py b/openmc/cell.py
index 945dff0db..499cf9504 100644
--- a/openmc/cell.py
+++ b/openmc/cell.py
@@ -747,15 +747,6 @@ class Cell(IDManagerMixin):
             c.region = Region.from_expression(region, surfaces)
 
         # Check for other attributes
-        temperature = get_elem_list(elem, 'temperature', float)
-        if temperature is not None:
-            if len(temperature) > 1:
-                c.temperature = temperature
-            else:
-                c.temperature = temperature[0]
-        density = get_elem_list(elem, 'density', float)
-        if density is not None:
-            c.density = density if len(density) > 1 else density[0]
         v = get_text(elem, 'volume')
         if v is not None:
             c.volume = float(v)
@@ -764,6 +755,8 @@ class Cell(IDManagerMixin):
             if values is not None:
                 if key == 'rotation' and len(values) == 9:
                     values = np.array(values).reshape(3, 3)
+                elif len(values) == 1:
+                    values = values[0]
                 setattr(c, key, values)
 
         # Add this cell to appropriate universe
diff --git a/tests/unit_tests/test_model.py b/tests/unit_tests/test_model.py
index 3846ba4fb..9234b2d27 100644
--- a/tests/unit_tests/test_model.py
+++ b/tests/unit_tests/test_model.py
@@ -265,8 +265,8 @@ def test_import_properties(run_in_tmpdir, mpi_intracomm):
     # Check to see that values are assigned to the C and python representations
     # First python
     cell = model.geometry.get_all_cells()[1]
-    assert cell.temperature == [600.0]
-    assert cell.density == [pytest.approx(10.0, 1e-5)]
+    assert cell.temperature == 600.0
+    assert cell.density == pytest.approx(10.0, 1e-5)
     assert cell.fill.get_mass_density() == pytest.approx(5.0)
     # Now C
     assert openmc.lib.cells[1].get_temperature() == 600.
@@ -286,8 +286,8 @@ def test_import_properties(run_in_tmpdir, mpi_intracomm):
         'with_properties/settings.xml'
     )
     cell = model_with_properties.geometry.get_all_cells()[1]
-    assert cell.temperature == [600.0]
-    assert cell.density == [pytest.approx(10.0, 1e-5)]
+    assert cell.temperature == 600.0
+    assert cell.density == pytest.approx(10.0, 1e-5)
     assert cell.fill.get_mass_density() == pytest.approx(5.0)
 
 

From 2bd06660c570bbebdff2fa57e77a135753e86aa9 Mon Sep 17 00:00:00 2001
From: Ethan Peterson <ethan.peterson@mit.edu>
Date: Wed, 4 Mar 2026 15:36:43 -0500
Subject: [PATCH 2562/2654] Parallelize sampling external sources and
 threadsafe rejection counters (#3830)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 include/openmc/source.h      | 12 +++++++
 openmc/lib/core.py           | 47 +++++++++++++++++--------
 openmc/model/model.py        | 15 +++++---
 src/simulation.cpp           |  1 +
 src/source.cpp               | 68 ++++++++++++++++++++++++++----------
 tests/unit_tests/test_lib.py |  8 +++++
 6 files changed, 114 insertions(+), 37 deletions(-)

diff --git a/include/openmc/source.h b/include/openmc/source.h
index 2f32aa2a0..1ef7eba2b 100644
--- a/include/openmc/source.h
+++ b/include/openmc/source.h
@@ -4,6 +4,7 @@
 #ifndef OPENMC_SOURCE_H
 #define OPENMC_SOURCE_H
 
+#include <atomic>
 #include <limits>
 #include <unordered_set>
 
@@ -25,10 +26,18 @@ namespace openmc {
 // source_rejection_fraction
 constexpr int EXTSRC_REJECT_THRESHOLD {10000};
 
+// Maximum number of source rejections allowed while sampling a single site
+constexpr int64_t MAX_SOURCE_REJECTIONS_PER_SAMPLE {1'000'000};
+
 //==============================================================================
 // Global variables
 //==============================================================================
 
+// Cumulative counters for source rejection diagnostics. These are atomic to
+// allow thread-safe concurrent sampling of external sources.
+extern std::atomic<int64_t> source_n_accept;
+extern std::atomic<int64_t> source_n_reject;
+
 class Source;
 
 namespace model {
@@ -265,6 +274,9 @@ SourceSite sample_external_source(uint64_t* seed);
 
 void free_memory_source();
 
+//! Reset cumulative source rejection counters
+void reset_source_rejection_counters();
+
 } // namespace openmc
 
 #endif // OPENMC_SOURCE_H
diff --git a/openmc/lib/core.py b/openmc/lib/core.py
index 2764ddff1..8e5cb56dc 100644
--- a/openmc/lib/core.py
+++ b/openmc/lib/core.py
@@ -33,7 +33,6 @@ class _SourceSite(Structure):
                 ('parent_id', c_int64),
                 ('progeny_id', c_int64)]
 
-
 # Define input type for numpy arrays that will be passed into C++ functions
 # Must be an int or double array, with single dimension that is contiguous
 _array_1d_int = np.ctypeslib.ndpointer(dtype=np.int32, ndim=1,
@@ -494,8 +493,9 @@ def run_random_ray(output=True):
 
 def sample_external_source(
         n_samples: int = 1000,
-        prn_seed: int | None = None
-) -> openmc.ParticleList:
+        prn_seed: int | None = None,
+        as_array: bool = False
+) -> openmc.ParticleList | np.ndarray:
     """Sample external source and return source particles.
 
     .. versionadded:: 0.13.1
@@ -507,11 +507,20 @@ def sample_external_source(
     prn_seed : int
         Pseudorandom number generator (PRNG) seed; if None, one will be
         generated randomly.
+    as_array : bool
+        If True, return a numpy structured array instead of a
+        :class:`~openmc.ParticleList`.  The array has fields ``'r'`` (float64,
+        shape 3), ``'u'`` (float64, shape 3), ``'E'`` (float64), ``'time'``
+        (float64), ``'wgt'`` (float64), ``'delayed_group'`` (int32),
+        ``'surf_id'`` (int32), and ``'particle'`` (int32).  This avoids the
+        overhead of constructing individual :class:`~openmc.SourceParticle`
+        objects and is substantially faster for large sample counts.
 
     Returns
     -------
-    openmc.ParticleList
-        List of sampled source particles
+    openmc.ParticleList or numpy.ndarray
+        List of sampled source particles, or a structured array when
+        *as_array* is True.
 
     """
     if n_samples <= 0:
@@ -519,18 +528,28 @@ def sample_external_source(
     if prn_seed is None:
         prn_seed = getrandbits(63)
 
-    # Call into C API to sample source
-    sites_array = (_SourceSite * n_samples)()
-    _dll.openmc_sample_external_source(c_size_t(n_samples), c_uint64(prn_seed), sites_array)
+    # Pre-allocate output array and sample all particles in a single C call
+    result = np.empty(n_samples, dtype=_SourceSite)
+    sites_array = (_SourceSite * n_samples).from_buffer(result)
+    _dll.openmc_sample_external_source(
+        c_size_t(n_samples),
+        c_uint64(prn_seed),
+        sites_array,
+    )
 
-    # Convert to list of SourceParticle and return
-    return openmc.ParticleList([openmc.SourceParticle(
-            r=site.r, u=site.u, E=site.E, time=site.time, wgt=site.wgt,
-            delayed_group=site.delayed_group, surf_id=site.surf_id,
-            particle=openmc.ParticleType(site.particle)
+    if as_array:
+        return result
+
+    particles = [
+        openmc.SourceParticle(
+            r=site.r, u=site.u, E=site.E, time=site.time,
+            wgt=site.wgt, delayed_group=site.delayed_group,
+            surf_id=site.surf_id,
+            particle=openmc.ParticleType(site.particle),
         )
         for site in sites_array
-    ])
+    ]
+    return openmc.ParticleList(particles)
 
 
 def simulation_init():
diff --git a/openmc/model/model.py b/openmc/model/model.py
index 0920b79e4..67a8495ee 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -1294,8 +1294,9 @@ class Model:
         self,
         n_samples: int = 1000,
         prn_seed: int | None = None,
+        as_array: bool = False,
         **init_kwargs
-    ) -> openmc.ParticleList:
+    ) -> openmc.ParticleList | np.ndarray:
         """Sample external source and return source particles.
 
         .. versionadded:: 0.15.1
@@ -1307,13 +1308,17 @@ class Model:
         prn_seed : int
             Pseudorandom number generator (PRNG) seed; if None, one will be
             generated randomly.
+        as_array : bool
+            If True, return a numpy structured array instead of a
+            :class:`~openmc.ParticleList`.
         **init_kwargs
             Keyword arguments passed to :func:`openmc.lib.init`
 
         Returns
         -------
-        openmc.ParticleList
-            List of samples source particles
+        openmc.ParticleList or numpy.ndarray
+            List of sampled source particles, or a structured array when
+            *as_array* is True.
         """
         import openmc.lib
 
@@ -1324,7 +1329,7 @@ class Model:
 
         with openmc.lib.TemporarySession(self, **init_kwargs):
             return openmc.lib.sample_external_source(
-                n_samples=n_samples, prn_seed=prn_seed
+                n_samples=n_samples, prn_seed=prn_seed, as_array=as_array
             )
 
     def apply_tally_results(self, statepoint: PathLike | openmc.StatePoint):
@@ -2588,7 +2593,7 @@ class Model:
                     # This mode doesn't require
                     # valid transport settings like particles/batches
                     original_run_mode = self.settings.run_mode
-                    self.settings.run_mode = 'volume' 
+                    self.settings.run_mode = 'volume'
                     self.init_lib(directory=tmpdir)
                     self.sync_dagmc_universes()
                     self.finalize_lib()
diff --git a/src/simulation.cpp b/src/simulation.cpp
index d0d6f037f..4fad196a6 100644
--- a/src/simulation.cpp
+++ b/src/simulation.cpp
@@ -122,6 +122,7 @@ int openmc_simulation_init()
   simulation::ssw_current_file = 1;
   simulation::k_generation.clear();
   simulation::entropy.clear();
+  reset_source_rejection_counters();
   openmc_reset();
 
   // If this is a restart run, load the state point data and binary source
diff --git a/src/source.cpp b/src/source.cpp
index 5300a685f..f0b8f48ed 100644
--- a/src/source.cpp
+++ b/src/source.cpp
@@ -37,6 +37,9 @@
 
 namespace openmc {
 
+std::atomic<int64_t> source_n_accept {0};
+std::atomic<int64_t> source_n_reject {0};
+
 namespace {
 
 void validate_particle_type(ParticleType type, const std::string& context)
@@ -191,9 +194,8 @@ void check_rejection_fraction(int64_t n_reject, int64_t n_accept)
 SourceSite Source::sample_with_constraints(uint64_t* seed) const
 {
   bool accepted = false;
-  static int64_t n_reject = 0;
-  static int64_t n_accept = 0;
-  SourceSite site;
+  int64_t n_local_reject = 0;
+  SourceSite site {};
 
   while (!accepted) {
     // Sample a source site without considering constraints yet
@@ -207,9 +209,13 @@ SourceSite Source::sample_with_constraints(uint64_t* seed) const
                  satisfies_energy_constraints(site.E) &&
                  satisfies_time_constraints(site.time);
       if (!accepted) {
-        // Increment number of rejections and check against minimum fraction
-        ++n_reject;
-        check_rejection_fraction(n_reject, n_accept);
+        ++n_local_reject;
+
+        // Check per-particle rejection limit
+        if (n_local_reject >= MAX_SOURCE_REJECTIONS_PER_SAMPLE) {
+          fatal_error("Exceeded maximum number of source rejections per "
+                      "sample. Please check your source definition.");
+        }
 
         // For the "kill" strategy, accept particle but set weight to 0 so that
         // it is terminated immediately
@@ -221,8 +227,13 @@ SourceSite Source::sample_with_constraints(uint64_t* seed) const
     }
   }
 
-  // Increment number of accepted samples
-  ++n_accept;
+  // Flush local rejection count, update accept counter, and check overall
+  // rejection fraction
+  if (n_local_reject > 0) {
+    source_n_reject += n_local_reject;
+  }
+  ++source_n_accept;
+  check_rejection_fraction(source_n_reject, source_n_accept);
 
   return site;
 }
@@ -361,15 +372,14 @@ IndependentSource::IndependentSource(pugi::xml_node node) : Source(node)
 
 SourceSite IndependentSource::sample(uint64_t* seed) const
 {
-  SourceSite site;
+  SourceSite site {};
   site.particle = particle_;
   double r_wgt = 1.0;
   double E_wgt = 1.0;
 
   // Repeat sampling source location until a good site has been accepted
   bool accepted = false;
-  static int64_t n_reject = 0;
-  static int64_t n_accept = 0;
+  int64_t n_local_reject = 0;
 
   while (!accepted) {
 
@@ -383,8 +393,11 @@ SourceSite IndependentSource::sample(uint64_t* seed) const
 
     // Check for rejection
     if (!accepted) {
-      ++n_reject;
-      check_rejection_fraction(n_reject, n_accept);
+      ++n_local_reject;
+      if (n_local_reject >= MAX_SOURCE_REJECTIONS_PER_SAMPLE) {
+        fatal_error("Exceeded maximum number of source rejections per "
+                    "sample. Please check your source definition.");
+      }
     }
   }
 
@@ -419,8 +432,11 @@ SourceSite IndependentSource::sample(uint64_t* seed) const
           (satisfies_energy_constraints(site.E)))
         break;
 
-      n_reject++;
-      check_rejection_fraction(n_reject, n_accept);
+      ++n_local_reject;
+      if (n_local_reject >= MAX_SOURCE_REJECTIONS_PER_SAMPLE) {
+        fatal_error("Exceeded maximum number of source rejections per "
+                    "sample. Please check your source definition.");
+      }
     }
 
     // Sample particle creation time
@@ -430,8 +446,10 @@ SourceSite IndependentSource::sample(uint64_t* seed) const
     site.wgt *= (E_wgt * time_wgt);
   }
 
-  // Increment number of accepted samples
-  ++n_accept;
+  // Flush local rejection count into global counter
+  if (n_local_reject > 0) {
+    source_n_reject += n_local_reject;
+  }
 
   return site;
 }
@@ -692,6 +710,13 @@ SourceSite sample_external_source(uint64_t* seed)
 void free_memory_source()
 {
   model::external_sources.clear();
+  reset_source_rejection_counters();
+}
+
+void reset_source_rejection_counters()
+{
+  source_n_accept = 0;
+  source_n_reject = 0;
 }
 
 //==============================================================================
@@ -712,8 +737,15 @@ extern "C" int openmc_sample_external_source(
   }
 
   auto sites_array = static_cast<SourceSite*>(sites);
+
+  // Derive independent per-particle seeds from the base seed so that
+  // each iteration has its own RNG state for thread-safe parallel sampling.
+  uint64_t base_seed = *seed;
+
+#pragma omp parallel for schedule(static)
   for (size_t i = 0; i < n; ++i) {
-    sites_array[i] = sample_external_source(seed);
+    uint64_t particle_seed = init_seed(base_seed + i, STREAM_SOURCE);
+    sites_array[i] = sample_external_source(&particle_seed);
   }
   return 0;
 }
diff --git a/tests/unit_tests/test_lib.py b/tests/unit_tests/test_lib.py
index 8ef8d5927..51e648dcf 100644
--- a/tests/unit_tests/test_lib.py
+++ b/tests/unit_tests/test_lib.py
@@ -1114,6 +1114,14 @@ def test_sample_external_source(run_in_tmpdir, mpi_intracomm):
         assert p1.time == p2.time
         assert p1.wgt == p2.wgt
 
+    # as_array should return a numpy structured array with matching values
+    arr = openmc.lib.sample_external_source(10, prn_seed=3, as_array=True)
+    assert isinstance(arr, np.ndarray)
+    assert len(arr) == 10
+    for p, row in zip(particles, arr):
+        assert p.r == pytest.approx(row['r'])
+        assert p.E == pytest.approx(row['E'])
+
     openmc.lib.finalize()
 
     # Make sure sampling works in volume calculation mode

From dbfd6387b29d248bbfa6b812d00d27333940a7d5 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 4 Mar 2026 23:37:47 -0600
Subject: [PATCH 2563/2654] Fix two docstrings that should have r prefix
 (#3851)

---
 openmc/data/dose/mass_attenuation.py | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/openmc/data/dose/mass_attenuation.py b/openmc/data/dose/mass_attenuation.py
index a6cbbee2b..c4260480b 100644
--- a/openmc/data/dose/mass_attenuation.py
+++ b/openmc/data/dose/mass_attenuation.py
@@ -62,7 +62,7 @@ _MUEN_TABLES = {
 def mass_energy_absorption_coefficient(
     material: str, data_source: str = "nist126"
 ) -> Tabulated1D:
-    """Return the mass energy-absorption coefficient as a function of energy.
+    r"""Return the mass energy-absorption coefficient as a function of energy.
 
     The mass energy-absorption coefficient, :math:`\mu_\text{en}/\rho`, is
     defined as the fraction of incident photon energy absorbed in a material per
@@ -108,7 +108,7 @@ _MASS_ATTENUATION: dict[int, object] = {}
 
 
 def mass_attenuation_coefficient(element):
-    """Return the photon mass attenuation coefficient as a function of energy.
+    r"""Return the photon mass attenuation coefficient as a function of energy.
 
     The mass energy-absorption coefficient, :math:`\mu_\text{en}/\rho`, is
     defined as the fraction of incident photon energy absorbed in a material per

From 533f09defd87c8e14d2d328d7edd90c47b10eec6 Mon Sep 17 00:00:00 2001
From: John Tramm <john.tramm@gmail.com>
Date: Thu, 5 Mar 2026 17:20:54 -0600
Subject: [PATCH 2564/2654] Enable CMake "compile_commands.json" Output (#3854)

Co-authored-by: John Tramm <jtramm@gmail.com>
Co-authored-by: Claude Opus 4.6 <noreply@anthropic.com>
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 CMakeLists.txt | 5 +++++
 1 file changed, 5 insertions(+)

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 10867384b..9b0e40d5a 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -20,6 +20,11 @@ set(CMAKE_ARCHIVE_OUTPUT_DIRECTORY ${CMAKE_BINARY_DIR}/lib)
 set(CMAKE_LIBRARY_OUTPUT_DIRECTORY ${CMAKE_BINARY_DIR}/lib)
 set(CMAKE_RUNTIME_OUTPUT_DIRECTORY ${CMAKE_BINARY_DIR}/bin)
 
+# Generate compile_commands.json for clangd and other tools
+if("${CMAKE_EXPORT_COMPILE_COMMANDS}" STREQUAL "")
+  set(CMAKE_EXPORT_COMPILE_COMMANDS ON)
+endif()
+
 # Enable correct usage of CXX_EXTENSIONS
 if (CMAKE_VERSION VERSION_GREATER_EQUAL 3.22)
   cmake_policy(SET CMP0128 NEW)

From 6f72619729e7f2d0aa0f42f553ba2d24314ab7c1 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 5 Mar 2026 17:29:36 -0600
Subject: [PATCH 2565/2654] Fix include guard in output.h (#3856)

---
 include/openmc/output.h | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/include/openmc/output.h b/include/openmc/output.h
index 7fcaa81ba..0ad8b2fe5 100644
--- a/include/openmc/output.h
+++ b/include/openmc/output.h
@@ -62,7 +62,6 @@ void write_tallies();
 void show_time(const char* label, double secs, int indent_level = 0);
 
 } // namespace openmc
-#endif // OPENMC_OUTPUT_H
 
 //////////////////////////////////////
 // Custom formatters
@@ -89,3 +88,5 @@ struct formatter<std::array<T, 2>> {
 }; // namespace fmt
 
 } // namespace fmt
+
+#endif // OPENMC_OUTPUT_H

From be4148ad0d9b54f1476117ed055b89e54a03fc9e Mon Sep 17 00:00:00 2001
From: GuySten <62616591+GuySten@users.noreply.github.com>
Date: Fri, 6 Mar 2026 03:07:42 +0200
Subject: [PATCH 2566/2654] Refactor Ray class into its own file (#3845)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 CMakeLists.txt        |   1 +
 include/openmc/plot.h |  42 +----------
 include/openmc/ray.h  |  50 +++++++++++++
 src/plot.cpp          | 159 ---------------------------------------
 src/ray.cpp           | 168 ++++++++++++++++++++++++++++++++++++++++++
 5 files changed, 220 insertions(+), 200 deletions(-)
 create mode 100644 include/openmc/ray.h
 create mode 100644 src/ray.cpp

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 9b0e40d5a..9fe133a22 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -412,6 +412,7 @@ list(APPEND libopenmc_SOURCES
   src/random_ray/linear_source_domain.cpp
   src/random_ray/moment_matrix.cpp
   src/random_ray/source_region.cpp
+  src/ray.cpp
   src/reaction.cpp
   src/reaction_product.cpp
   src/scattdata.cpp
diff --git a/include/openmc/plot.h b/include/openmc/plot.h
index aa3739453..6c00fc2f6 100644
--- a/include/openmc/plot.h
+++ b/include/openmc/plot.h
@@ -17,6 +17,7 @@
 #include "openmc/particle.h"
 #include "openmc/position.h"
 #include "openmc/random_lcg.h"
+#include "openmc/ray.h"
 #include "openmc/xml_interface.h"
 
 namespace openmc {
@@ -497,47 +498,6 @@ private:
   Position light_location_;
 };
 
-// Base class that implements ray tracing logic, not necessarily through
-// defined regions of the geometry but also outside of it.
-class Ray : public GeometryState {
-
-public:
-  // Initialize from location and direction
-  Ray(Position r, Direction u) { init_from_r_u(r, u); }
-
-  // Initialize from known geometry state
-  Ray(const GeometryState& p) : GeometryState(p) {}
-
-  // Called at every surface intersection within the model
-  virtual void on_intersection() = 0;
-
-  /*
-   * Traces the ray through the geometry, calling on_intersection
-   * at every surface boundary.
-   */
-  void trace();
-
-  // Stops the ray and exits tracing when called from on_intersection
-  void stop() { stop_ = true; }
-
-  // Sets the dist_ variable
-  void compute_distance();
-
-protected:
-  // Records how far the ray has traveled
-  double traversal_distance_ {0.0};
-
-private:
-  // Max intersections before we assume ray tracing is caught in an infinite
-  // loop:
-  static const int MAX_INTERSECTIONS = 1000000;
-
-  bool hit_something_ {false};
-  bool stop_ {false};
-
-  unsigned event_counter_ {0};
-};
-
 class ProjectionRay : public Ray {
 public:
   ProjectionRay(Position r, Direction u, const WireframeRayTracePlot& plot,
diff --git a/include/openmc/ray.h b/include/openmc/ray.h
new file mode 100644
index 000000000..62e86b0d9
--- /dev/null
+++ b/include/openmc/ray.h
@@ -0,0 +1,50 @@
+#ifndef OPENMC_RAY_H
+#define OPENMC_RAY_H
+
+#include "openmc/particle_data.h"
+#include "openmc/position.h"
+
+namespace openmc {
+
+// Base class that implements ray tracing logic, not necessarily through
+// defined regions of the geometry but also outside of it.
+class Ray : public GeometryState {
+
+public:
+  // Initialize from location and direction
+  Ray(Position r, Direction u) { init_from_r_u(r, u); }
+
+  // Initialize from known geometry state
+  Ray(const GeometryState& p) : GeometryState(p) {}
+
+  // Called at every surface intersection within the model
+  virtual void on_intersection() = 0;
+
+  /*
+   * Traces the ray through the geometry, calling on_intersection
+   * at every surface boundary.
+   */
+  void trace();
+
+  // Stops the ray and exits tracing when called from on_intersection
+  void stop() { stop_ = true; }
+
+  // Sets the dist_ variable
+  void compute_distance();
+
+protected:
+  // Records how far the ray has traveled
+  double traversal_distance_ {0.0};
+
+private:
+  // Max intersections before we assume ray tracing is caught in an infinite
+  // loop:
+  static const int MAX_INTERSECTIONS = 1000000;
+
+  bool stop_ {false};
+
+  unsigned event_counter_ {0};
+};
+
+} // namespace openmc
+#endif // OPENMC_RAY_H
diff --git a/src/plot.cpp b/src/plot.cpp
index b03c51e7e..707d53dc2 100644
--- a/src/plot.cpp
+++ b/src/plot.cpp
@@ -1649,165 +1649,6 @@ void SolidRayTracePlot::set_diffuse_fraction(pugi::xml_node node)
   }
 }
 
-void Ray::compute_distance()
-{
-  boundary() = distance_to_boundary(*this);
-}
-
-void Ray::trace()
-{
-  // To trace the ray from its origin all the way through the model, we have
-  // to proceed in two phases. In the first, the ray may or may not be found
-  // inside the model. If the ray is already in the model, phase one can be
-  // skipped. Otherwise, the ray has to be advanced to the boundary of the
-  // model where all the cells are defined. Importantly, this is assuming that
-  // the model is convex, which is a very reasonable assumption for any
-  // radiation transport model.
-  //
-  // After phase one is done, we can starting tracing from cell to cell within
-  // the model. This step can use neighbor lists to accelerate the ray tracing.
-
-  bool inside_cell;
-  // Check for location if the particle is already known
-  if (lowest_coord().cell() == C_NONE) {
-    // The geometry position of the particle is either unknown or outside of the
-    // edge of the model.
-    if (lowest_coord().universe() == C_NONE) {
-      // Attempt to initialize the particle. We may have to
-      // enter a loop to move it up to the edge of the model.
-      inside_cell = exhaustive_find_cell(*this, settings::verbosity >= 10);
-    } else {
-      // It has been already calculated that the current position is outside of
-      // the edge of the model.
-      inside_cell = false;
-    }
-  } else {
-    // Availability of the cell means that the particle is located inside the
-    // edge.
-    inside_cell = true;
-  }
-
-  // Advance to the boundary of the model
-  while (!inside_cell) {
-    advance_to_boundary_from_void();
-    inside_cell = exhaustive_find_cell(*this, settings::verbosity >= 10);
-
-    // If true this means no surface was intersected. See cell.cpp and search
-    // for numeric_limits to see where we return it.
-    if (surface() == std::numeric_limits<int>::max()) {
-      warning(fmt::format("Lost a ray, r = {}, u = {}", r(), u()));
-      return;
-    }
-
-    // Exit this loop and enter into cell-to-cell ray tracing (which uses
-    // neighbor lists)
-    if (inside_cell)
-      break;
-
-    // if there is no intersection with the model, we're done
-    if (boundary().surface() == SURFACE_NONE)
-      return;
-
-    event_counter_++;
-    if (event_counter_ > MAX_INTERSECTIONS) {
-      warning("Likely infinite loop in ray traced plot");
-      return;
-    }
-  }
-
-  // Call the specialized logic for this type of ray. This is for the
-  // intersection for the first intersection if we had one.
-  if (boundary().surface() != SURFACE_NONE) {
-    // set the geometry state's surface attribute to be used for
-    // surface normal computation
-    surface() = boundary().surface();
-    on_intersection();
-    if (stop_)
-      return;
-  }
-
-  // reset surface attribute to zero after the first intersection so that it
-  // doesn't perturb surface crossing logic from here on out
-  surface() = 0;
-
-  // This is the ray tracing loop within the model. It exits after exiting
-  // the model, which is equivalent to assuming that the model is convex.
-  // It would be nice to factor out the on_intersection at the end of this
-  // loop and then do "while (inside_cell)", but we can't guarantee it's
-  // on a surface in that case. There might be some other way to set it
-  // up that is perhaps a little more elegant, but this is what works just
-  // fine.
-  while (true) {
-
-    compute_distance();
-
-    // There are no more intersections to process
-    // if we hit the edge of the model, so stop
-    // the particle in that case. Also, just exit
-    // if a negative distance was somehow computed.
-    if (boundary().distance() == INFTY || boundary().distance() == INFINITY ||
-        boundary().distance() < 0) {
-      return;
-    }
-
-    // See below comment where call_on_intersection is checked in an
-    // if statement for an explanation of this.
-    bool call_on_intersection {true};
-    if (boundary().distance() < 10 * TINY_BIT) {
-      call_on_intersection = false;
-    }
-
-    // DAGMC surfaces expect us to go a little bit further than the advance
-    // distance to properly check cell inclusion.
-    boundary().distance() += TINY_BIT;
-
-    // Advance particle, prepare for next intersection
-    for (int lev = 0; lev < n_coord(); ++lev) {
-      coord(lev).r() += boundary().distance() * coord(lev).u();
-    }
-    surface() = boundary().surface();
-    // Initialize last cells from the current cell, because the cell() variable
-    // does not contain the data for the case of a single-segment ray
-    for (int j = 0; j < n_coord(); ++j) {
-      cell_last(j) = coord(j).cell();
-    }
-    n_coord_last() = n_coord();
-    n_coord() = boundary().coord_level();
-    if (boundary().lattice_translation()[0] != 0 ||
-        boundary().lattice_translation()[1] != 0 ||
-        boundary().lattice_translation()[2] != 0) {
-      cross_lattice(*this, boundary(), settings::verbosity >= 10);
-    }
-
-    // Record how far the ray has traveled
-    traversal_distance_ += boundary().distance();
-    inside_cell = neighbor_list_find_cell(*this, settings::verbosity >= 10);
-
-    // Call the specialized logic for this type of ray. Note that we do not
-    // call this if the advance distance is very small. Unfortunately, it seems
-    // darn near impossible to get the particle advanced to the model boundary
-    // and through it without sometimes accidentally calling on_intersection
-    // twice. This incorrectly shades the region as occluded when it might not
-    // actually be. By screening out intersection distances smaller than a
-    // threshold 10x larger than the scoot distance used to advance up to the
-    // model boundary, we can avoid that situation.
-    if (call_on_intersection) {
-      on_intersection();
-      if (stop_)
-        return;
-    }
-
-    if (!inside_cell)
-      return;
-
-    event_counter_++;
-    if (event_counter_ > MAX_INTERSECTIONS) {
-      warning("Likely infinite loop in ray traced plot");
-      return;
-    }
-  }
-}
-
 void ProjectionRay::on_intersection()
 {
   // This records a tuple with the following info
diff --git a/src/ray.cpp b/src/ray.cpp
new file mode 100644
index 000000000..3d848e3a3
--- /dev/null
+++ b/src/ray.cpp
@@ -0,0 +1,168 @@
+#include "openmc/ray.h"
+
+#include "openmc/error.h"
+#include "openmc/geometry.h"
+#include "openmc/settings.h"
+
+namespace openmc {
+
+void Ray::compute_distance()
+{
+  boundary() = distance_to_boundary(*this);
+}
+
+void Ray::trace()
+{
+  // To trace the ray from its origin all the way through the model, we have
+  // to proceed in two phases. In the first, the ray may or may not be found
+  // inside the model. If the ray is already in the model, phase one can be
+  // skipped. Otherwise, the ray has to be advanced to the boundary of the
+  // model where all the cells are defined. Importantly, this is assuming that
+  // the model is convex, which is a very reasonable assumption for any
+  // radiation transport model.
+  //
+  // After phase one is done, we can starting tracing from cell to cell within
+  // the model. This step can use neighbor lists to accelerate the ray tracing.
+
+  bool inside_cell;
+  // Check for location if the particle is already known
+  if (lowest_coord().cell() == C_NONE) {
+    // The geometry position of the particle is either unknown or outside of the
+    // edge of the model.
+    if (lowest_coord().universe() == C_NONE) {
+      // Attempt to initialize the particle. We may have to
+      // enter a loop to move it up to the edge of the model.
+      inside_cell = exhaustive_find_cell(*this, settings::verbosity >= 10);
+    } else {
+      // It has been already calculated that the current position is outside of
+      // the edge of the model.
+      inside_cell = false;
+    }
+  } else {
+    // Availability of the cell means that the particle is located inside the
+    // edge.
+    inside_cell = true;
+  }
+
+  // Advance to the boundary of the model
+  while (!inside_cell) {
+    advance_to_boundary_from_void();
+    inside_cell = exhaustive_find_cell(*this, settings::verbosity >= 10);
+
+    // If true this means no surface was intersected. See cell.cpp and search
+    // for numeric_limits to see where we return it.
+    if (surface() == std::numeric_limits<int>::max()) {
+      warning(fmt::format("Lost a ray, r = {}, u = {}", r(), u()));
+      return;
+    }
+
+    // Exit this loop and enter into cell-to-cell ray tracing (which uses
+    // neighbor lists)
+    if (inside_cell)
+      break;
+
+    // if there is no intersection with the model, we're done
+    if (boundary().surface() == SURFACE_NONE)
+      return;
+
+    event_counter_++;
+    if (event_counter_ > MAX_INTERSECTIONS) {
+      warning("Likely infinite loop in ray traced plot");
+      return;
+    }
+  }
+
+  // Call the specialized logic for this type of ray. This is for the
+  // intersection for the first intersection if we had one.
+  if (boundary().surface() != SURFACE_NONE) {
+    // set the geometry state's surface attribute to be used for
+    // surface normal computation
+    surface() = boundary().surface();
+    on_intersection();
+    if (stop_)
+      return;
+  }
+
+  // reset surface attribute to zero after the first intersection so that it
+  // doesn't perturb surface crossing logic from here on out
+  surface() = 0;
+
+  // This is the ray tracing loop within the model. It exits after exiting
+  // the model, which is equivalent to assuming that the model is convex.
+  // It would be nice to factor out the on_intersection at the end of this
+  // loop and then do "while (inside_cell)", but we can't guarantee it's
+  // on a surface in that case. There might be some other way to set it
+  // up that is perhaps a little more elegant, but this is what works just
+  // fine.
+  while (true) {
+
+    compute_distance();
+
+    // There are no more intersections to process
+    // if we hit the edge of the model, so stop
+    // the particle in that case. Also, just exit
+    // if a negative distance was somehow computed.
+    if (boundary().distance() == INFTY || boundary().distance() == INFINITY ||
+        boundary().distance() < 0) {
+      return;
+    }
+
+    // See below comment where call_on_intersection is checked in an
+    // if statement for an explanation of this.
+    bool call_on_intersection {true};
+    if (boundary().distance() < 10 * TINY_BIT) {
+      call_on_intersection = false;
+    }
+
+    // DAGMC surfaces expect us to go a little bit further than the advance
+    // distance to properly check cell inclusion.
+    boundary().distance() += TINY_BIT;
+
+    // Advance particle, prepare for next intersection
+    for (int lev = 0; lev < n_coord(); ++lev) {
+      coord(lev).r() += boundary().distance() * coord(lev).u();
+    }
+    surface() = boundary().surface();
+    // Initialize last cells from the current cell, because the cell() variable
+    // does not contain the data for the case of a single-segment ray
+    for (int j = 0; j < n_coord(); ++j) {
+      cell_last(j) = coord(j).cell();
+    }
+    n_coord_last() = n_coord();
+    n_coord() = boundary().coord_level();
+    if (boundary().lattice_translation()[0] != 0 ||
+        boundary().lattice_translation()[1] != 0 ||
+        boundary().lattice_translation()[2] != 0) {
+      cross_lattice(*this, boundary(), settings::verbosity >= 10);
+    }
+
+    // Record how far the ray has traveled
+    traversal_distance_ += boundary().distance();
+    inside_cell = neighbor_list_find_cell(*this, settings::verbosity >= 10);
+
+    // Call the specialized logic for this type of ray. Note that we do not
+    // call this if the advance distance is very small. Unfortunately, it seems
+    // darn near impossible to get the particle advanced to the model boundary
+    // and through it without sometimes accidentally calling on_intersection
+    // twice. This incorrectly shades the region as occluded when it might not
+    // actually be. By screening out intersection distances smaller than a
+    // threshold 10x larger than the scoot distance used to advance up to the
+    // model boundary, we can avoid that situation.
+    if (call_on_intersection) {
+      on_intersection();
+      if (stop_)
+        return;
+    }
+
+    if (!inside_cell)
+      return;
+
+    event_counter_++;
+    if (event_counter_ > MAX_INTERSECTIONS) {
+      warning("Likely infinite loop in ray traced plot");
+      return;
+    }
+  }
+}
+
+} // namespace openmc

From 908e63115a88596c0f15f9be63b8016513589fa4 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 5 Mar 2026 21:40:36 -0600
Subject: [PATCH 2567/2654] Add reusable `reviewing-openmc-code` skill and
 Copilot Review agent (#3842)

Co-authored-by: John Tramm <john.tramm@gmail.com>
---
 .claude/skills/reviewing-openmc-code/SKILL.md | 77 +++++++++++++++++++
 .github/agents/Review.agent.md                |  8 ++
 .github/copilot-instructions.md               |  1 +
 AGENTS.md                                     |  2 +-
 4 files changed, 87 insertions(+), 1 deletion(-)
 create mode 100644 .claude/skills/reviewing-openmc-code/SKILL.md
 create mode 100644 .github/agents/Review.agent.md
 create mode 100644 .github/copilot-instructions.md

diff --git a/.claude/skills/reviewing-openmc-code/SKILL.md b/.claude/skills/reviewing-openmc-code/SKILL.md
new file mode 100644
index 000000000..d92a22d81
--- /dev/null
+++ b/.claude/skills/reviewing-openmc-code/SKILL.md
@@ -0,0 +1,77 @@
+---
+name: reviewing-openmc-code
+description: Reviews code changes in the OpenMC codebase against OpenMC's contribution criteria (correctness, testing, physics soundness, style, design, performance, docs, dependencies). Use when asked to review a PR, branch, patch, or set of code changes in OpenMC.
+---
+
+Apply repository-wide guidance from `AGENTS.md` (architecture, build/test workflow, branch conventions, style, and OpenMC-specific expectations).
+
+## Determine Review Context
+
+1. **Identify what to review.** Determine the review context based on what the user provides or what can be inferred:
+   - **Default (no explicit context):** Compare the current branch against `develop` using `git diff develop...HEAD` to see only commits unique to the current branch.
+   - **User specifies a base branch or commit range:** Use that instead.
+   - **PR context provided by tooling:** Use the base/head refs supplied by the tool.
+2. **Read changed files in context** — look at surrounding code, related modules, and existing codebase style to judge consistency.
+3. **Explore repository** Given the context of the current changes, explore OpenMC to determine if there are any additional files you'll need to analyze given the multiple ways OpenMC can be run.
+
+## Review Criteria
+
+Assess each of the following areas, noting any issues found. If an area looks good, briefly confirm it passes.
+
+### Purpose and Scope
+- Do the changes have a clear, well-defined purpose?
+- Are the changes of **general enough interest** to warrant inclusion in the main OpenMC codebase, or would they be better suited as a downstream extension?
+
+### Correctness and Testing
+- Do the changes compile and can you confirm all logic to be functionally correct?
+- Are appropriate **unit tests** added in `tests/unit_tests/` for new Python API features?
+- Are appropriate **regression tests** added in `tests/regression_tests/` for new simulation capabilities?
+- Are edge cases and error conditions handled and tested?
+- Are all changes sound when considering that OpenMC runs in parallel with MPI and OpenMP?
+
+### Physics Soundness (when applicable)
+- When the changes implement new physics, are the **equations, methods, and approaches physically sound**?
+- Are the algorithms consistent with established references? Are those references cited in comments or documentation?
+- Are there numerical stability or accuracy concerns with the implementation?
+
+### Code Quality and Style
+- Does the C++ code conform to the OpenMC style guide: `CamelCase` classes, `snake_case` functions/variables, trailing underscores for class members, C++17 idioms, `openmc::vector` instead of `std::vector`?
+- Does the Python code conform to PEP 8, use numpydoc docstrings, `pathlib.Path` for filesystem operations, and `openmc.checkvalue` for input validation?
+- Are the changes (API design, naming, abstractions, file organization) **consistent with the rest of the codebase**?
+
+### Design
+- Is the design as simple as it could be while still meeting the requirements?
+- Are there **alternative designs** that would achieve the same purpose with greater simplicity or better integration with existing infrastructure?
+- Does the API feel natural and follow the conventions established elsewhere in OpenMC?
+
+### Memory and Performance
+- Are there obvious memory leaks or unsafe memory management patterns in C++ code?
+- Do the changes introduce unnecessary performance regressions or greatly increased memory usage?
+- Do the changes introduce dynamic memory allocation (e.g., `new`/`delete`, heap-allocating containers, `std::make_shared`, `std::make_unique`) inside the main particle transport loop (`transport_history_based` and `transport_event_based`)? This is undesirable for two reasons: it degrades thread scalability due to contention on the global allocator, and it precludes future GPU execution where dynamic allocation is not available.
+
+### Documentation
+- Are new features, input parameters, and Python API additions **documented** (docstrings, `docs/source/`)?
+- Are new XML input attributes described in the input reference?
+- Are any deprecations or breaking changes clearly noted?
+
+### Dependencies
+- Do the changes introduce any new external software dependencies?
+- If so, are they justified, optional where possible, and consistent with OpenMC's existing dependency policy?
+
+## Output Format
+
+Produce your review as a structured report with the following sections:
+
+**Context**: State what is being compared (e.g., "current branch vs. `develop`", or the specific commit range/PR).
+
+**Summary**: A short paragraph describing what the changes do and your overall assessment.
+
+**Detailed Findings**: For each criterion above, provide a brief assessment. Use `✓` for items that pass and flag issues with severity:
+- `[Minor]` — Style nits, small improvements, non-blocking suggestions
+- `[Moderate]` — Issues worth addressing but not strictly blocking
+- `[Major]` — Problems that should be resolved before merging
+
+Group findings into:
+1. **Blocking issues** — Would justify requesting changes before merge
+2. **Non-blocking suggestions** — Improvements that could be addressed now or later
+3. **Questions for the author** — Ambiguities or design choices worth clarifying. Do not include questions that you are capable of answering yourself
diff --git a/.github/agents/Review.agent.md b/.github/agents/Review.agent.md
new file mode 100644
index 000000000..39b2085f4
--- /dev/null
+++ b/.github/agents/Review.agent.md
@@ -0,0 +1,8 @@
+---
+name: Review
+description: Reviews code changes on the current branch, evaluating them against OpenMC's contribution criteria and providing structured feedback.
+argument-hint: Optionally provide a focus area (e.g., "focus on physics correctness", "check Python API design"). If omitted, a full review is performed.
+---
+You are an expert code reviewer for OpenMC. Use the `reviewing-openmc-code` skill to perform a structured review of the code changes on the current branch.
+
+If the user provides a focus area, prioritize that section of the review.
diff --git a/.github/copilot-instructions.md b/.github/copilot-instructions.md
new file mode 100644
index 000000000..e1f71b83f
--- /dev/null
+++ b/.github/copilot-instructions.md
@@ -0,0 +1 @@
+When reviewing code changes in this repository, use the `reviewing-openmc-code` skill.
diff --git a/AGENTS.md b/AGENTS.md
index 0ff2abbdc..dce32d0e4 100644
--- a/AGENTS.md
+++ b/AGENTS.md
@@ -40,7 +40,7 @@ OpenMC uses a git flow branching model with two primary branches:
 
 ### Instructions for Code Review
 
-When analyzing code changes on a feature or bugfix branch (e.g., when a user asks "what do you think of these changes?"), **compare the branch changes against `develop`, not `master`**. Pull requests are submitted to merge into `develop`, so differences relative to `develop` represent the actual proposed changes. Comparing against `master` will include unrelated changes from other features that have already been merged to `develop`.
+When reviewing code changes in this repository, use the `reviewing-openmc-code` skill.
 
 ### Workflow for contributors
 

From 1dc4aa98829ed122e0162d2ffe15dbdd7f31cf61 Mon Sep 17 00:00:00 2001
From: Amanda Lund <alund@anl.gov>
Date: Mon, 9 Mar 2026 23:00:10 -0500
Subject: [PATCH 2568/2654] Add setting to optionally disable atomic relaxation
 (#3855)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 docs/source/io_formats/settings.rst           | 13 ++++++
 docs/source/usersguide/settings.rst           |  7 ++++
 include/openmc/settings.h                     |  1 +
 openmc/settings.py                            | 26 ++++++++++++
 src/photon.cpp                                | 12 +++---
 src/physics.cpp                               |  7 +++-
 src/settings.cpp                              |  6 +++
 .../atomic_relaxation/__init__.py             |  0
 .../atomic_relaxation/inputs_true.dat         | 35 ++++++++++++++++
 .../atomic_relaxation/results_true.dat        |  9 ++++
 .../atomic_relaxation/test.py                 | 41 +++++++++++++++++++
 tests/unit_tests/test_settings.py             |  2 +
 12 files changed, 150 insertions(+), 9 deletions(-)
 create mode 100644 tests/regression_tests/atomic_relaxation/__init__.py
 create mode 100644 tests/regression_tests/atomic_relaxation/inputs_true.dat
 create mode 100644 tests/regression_tests/atomic_relaxation/results_true.dat
 create mode 100644 tests/regression_tests/atomic_relaxation/test.py

diff --git a/docs/source/io_formats/settings.rst b/docs/source/io_formats/settings.rst
index e4ab0e169..d1174e531 100644
--- a/docs/source/io_formats/settings.rst
+++ b/docs/source/io_formats/settings.rst
@@ -7,6 +7,19 @@ Settings Specification -- settings.xml
 All simulation parameters and miscellaneous options are specified in the
 settings.xml file.
 
+-------------------------------
+``<atomic_relaxation>`` Element
+-------------------------------
+
+The ``<atomic_relaxation>`` element determines whether the atomic relaxation
+cascade, the X-ray fluorescence photons and Auger electrons emitted when an
+inner-shell vacancy is filled, is simulated following photoelectric and
+incoherent (Compton) scattering interactions. Disabling this can speed up
+photon transport calculations where the detailed secondary particle cascade is
+not of interest.
+
+  *Default*: true
+
 ---------------------
 ``<batches>`` Element
 ---------------------
diff --git a/docs/source/usersguide/settings.rst b/docs/source/usersguide/settings.rst
index 5a04fedd7..8ac07f3c8 100644
--- a/docs/source/usersguide/settings.rst
+++ b/docs/source/usersguide/settings.rst
@@ -604,6 +604,13 @@ transport::
 
   settings.photon_transport = True
 
+Atomic relaxation (the cascade of fluorescence photons and Auger electrons
+emitted when an inner-shell vacancy is filled) is enabled by default whenever
+photon transport is on. It can be disabled using the
+:attr:`Settings.atomic_relaxation` attribute::
+
+  settings.atomic_relaxation = False
+
 The way in which OpenMC handles secondary charged particles can be specified
 with the :attr:`Settings.electron_treatment` attribute. By default, the
 :ref:`thick-target bremsstrahlung <ttb>` (TTB) approximation is used to generate
diff --git a/include/openmc/settings.h b/include/openmc/settings.h
index 19ef6e5d2..7f8a28986 100644
--- a/include/openmc/settings.h
+++ b/include/openmc/settings.h
@@ -77,6 +77,7 @@ extern "C" bool output_summary;      //!< write summary.h5?
 extern bool output_tallies;          //!< write tallies.out?
 extern bool particle_restart_run;    //!< particle restart run?
 extern "C" bool photon_transport;    //!< photon transport turned on?
+extern bool atomic_relaxation;       //!< atomic relaxation enabled?
 extern "C" bool reduce_tallies;      //!< reduce tallies at end of batch?
 extern bool res_scat_on;             //!< use resonance upscattering method?
 extern "C" bool restart_run;         //!< restart run?
diff --git a/openmc/settings.py b/openmc/settings.py
index 342fd5e53..7961f7974 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -41,6 +41,10 @@ class Settings:
 
     Attributes
     ----------
+    atomic_relaxation : bool
+        Whether to simulate the atomic relaxation cascade (fluorescence photons
+        and Auger electrons) following photoelectric and incoherent scattering
+        interactions.
     batches : int
         Number of batches to simulate
     confidence_intervals : bool
@@ -402,6 +406,7 @@ class Settings:
         self._confidence_intervals = None
         self._electron_treatment = None
         self._photon_transport = None
+        self._atomic_relaxation = None
         self._plot_seed = None
         self._ptables = None
         self._uniform_source_sampling = None
@@ -663,6 +668,15 @@ class Settings:
                        electron_treatment, ['led', 'ttb'])
         self._electron_treatment = electron_treatment
 
+    @property
+    def atomic_relaxation(self) -> bool:
+        return self._atomic_relaxation
+
+    @atomic_relaxation.setter
+    def atomic_relaxation(self, atomic_relaxation: bool):
+        cv.check_type('atomic relaxation', atomic_relaxation, bool)
+        self._atomic_relaxation = atomic_relaxation
+
     @property
     def ptables(self) -> bool:
         return self._ptables
@@ -1631,6 +1645,11 @@ class Settings:
             element = ET.SubElement(root, "electron_treatment")
             element.text = str(self._electron_treatment)
 
+    def _create_atomic_relaxation_subelement(self, root):
+        if self._atomic_relaxation is not None:
+            element = ET.SubElement(root, "atomic_relaxation")
+            element.text = str(self._atomic_relaxation).lower()
+
     def _create_photon_transport_subelement(self, root):
         if self._photon_transport is not None:
             element = ET.SubElement(root, "photon_transport")
@@ -2129,6 +2148,11 @@ class Settings:
         if text is not None:
             self.electron_treatment = text
 
+    def _atomic_relaxation_from_xml_element(self, root):
+        text = get_text(root, 'atomic_relaxation')
+        if text is not None:
+            self.atomic_relaxation = text in ('true', '1')
+
     def _energy_mode_from_xml_element(self, root):
         text = get_text(root, 'energy_mode')
         if text is not None:
@@ -2478,6 +2502,7 @@ class Settings:
         self._create_collision_track_subelement(element)
         self._create_confidence_intervals(element)
         self._create_electron_treatment_subelement(element)
+        self._create_atomic_relaxation_subelement(element)
         self._create_energy_mode_subelement(element)
         self._create_max_order_subelement(element)
         self._create_photon_transport_subelement(element)
@@ -2594,6 +2619,7 @@ class Settings:
         settings._collision_track_from_xml_element(elem)
         settings._confidence_intervals_from_xml_element(elem)
         settings._electron_treatment_from_xml_element(elem)
+        settings._atomic_relaxation_from_xml_element(elem)
         settings._energy_mode_from_xml_element(elem)
         settings._max_order_from_xml_element(elem)
         settings._photon_transport_from_xml_element(elem)
diff --git a/src/photon.cpp b/src/photon.cpp
index 5e2ba6884..6bbdc928f 100644
--- a/src/photon.cpp
+++ b/src/photon.cpp
@@ -154,8 +154,7 @@ PhotonInteraction::PhotonInteraction(hid_t group)
 
     hid_t tgroup = open_group(rgroup, designator.c_str());
 
-    // Read binding energy energy and number of electrons if atomic relaxation
-    // data is present
+    // Read binding energy if atomic relaxation data is present
     if (attribute_exists(tgroup, "binding_energy")) {
       has_atomic_relaxation_ = true;
       read_attribute(tgroup, "binding_energy", shell.binding_energy);
@@ -174,7 +173,7 @@ PhotonInteraction::PhotonInteraction(hid_t group)
         i);
     cross_section = tensor::where(xs > 0, tensor::log(xs), 0);
 
-    if (object_exists(tgroup, "transitions")) {
+    if (settings::atomic_relaxation && object_exists(tgroup, "transitions")) {
       // Determine dimensions of transitions
       dset = open_dataset(tgroup, "transitions");
       auto dims = object_shape(dset);
@@ -206,9 +205,8 @@ PhotonInteraction::PhotonInteraction(hid_t group)
   // Check the maximum size of the atomic relaxation stack
   auto max_size = this->calc_max_stack_size();
   if (max_size > MAX_STACK_SIZE && mpi::master) {
-    warning(fmt::format(
-      "The subshell vacancy stack in atomic relaxation can grow up to {}, but "
-      "the stack size limit is set to {}.",
+    warning(fmt::format("The subshell vacancy stack in atomic relaxation can "
+                        "grow up to {}, but the stack size limit is set to {}.",
       max_size, MAX_STACK_SIZE));
   }
 
@@ -231,7 +229,7 @@ PhotonInteraction::PhotonInteraction(hid_t group)
 
   // Map Compton subshell data to atomic relaxation data by finding the
   // subshell with the equivalent binding energy
-  if (has_atomic_relaxation_) {
+  if (settings::atomic_relaxation && has_atomic_relaxation_) {
     auto is_close = [](double a, double b) {
       return std::abs(a - b) / a < FP_REL_PRECISION;
     };
diff --git a/src/physics.cpp b/src/physics.cpp
index 72b4a6611..106bd1aa2 100644
--- a/src/physics.cpp
+++ b/src/physics.cpp
@@ -355,7 +355,8 @@ void sample_photon_reaction(Particle& p)
     // Allow electrons to fill orbital and produce Auger electrons and
     // fluorescent photons. Since Compton subshell data does not match atomic
     // relaxation data, use the mapping between the data to find the subshell
-    if (i_shell >= 0 && element.subshell_map_[i_shell] >= 0) {
+    if (settings::atomic_relaxation && i_shell >= 0 &&
+        element.subshell_map_[i_shell] >= 0) {
       element.atomic_relaxation(element.subshell_map_[i_shell], p);
     }
 
@@ -427,7 +428,9 @@ void sample_photon_reaction(Particle& p)
 
         // Allow electrons to fill orbital and produce auger electrons
         // and fluorescent photons
-        element.atomic_relaxation(i_shell, p);
+        if (settings::atomic_relaxation) {
+          element.atomic_relaxation(i_shell, p);
+        }
         p.event() = TallyEvent::ABSORB;
         p.event_mt() = 533 + shell.index_subshell;
         p.wgt() = 0.0;
diff --git a/src/settings.cpp b/src/settings.cpp
index 6b159f6e9..f41e5fd11 100644
--- a/src/settings.cpp
+++ b/src/settings.cpp
@@ -62,6 +62,7 @@ bool output_summary {true};
 bool output_tallies {true};
 bool particle_restart_run {false};
 bool photon_transport {false};
+bool atomic_relaxation {true};
 bool reduce_tallies {true};
 bool res_scat_on {false};
 bool restart_run {false};
@@ -607,6 +608,11 @@ void read_settings_xml(pugi::xml_node root)
     }
   }
 
+  // Check for atomic relaxation
+  if (check_for_node(root, "atomic_relaxation")) {
+    atomic_relaxation = get_node_value_bool(root, "atomic_relaxation");
+  }
+
   // Number of bins for logarithmic grid
   if (check_for_node(root, "log_grid_bins")) {
     n_log_bins = std::stoi(get_node_value(root, "log_grid_bins"));
diff --git a/tests/regression_tests/atomic_relaxation/__init__.py b/tests/regression_tests/atomic_relaxation/__init__.py
new file mode 100644
index 000000000..e69de29bb
diff --git a/tests/regression_tests/atomic_relaxation/inputs_true.dat b/tests/regression_tests/atomic_relaxation/inputs_true.dat
new file mode 100644
index 000000000..637e04285
--- /dev/null
+++ b/tests/regression_tests/atomic_relaxation/inputs_true.dat
@@ -0,0 +1,35 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material id="1">
+      <density value="11.35" units="g/cm3"/>
+      <nuclide name="Pb208" ao="1.0"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="-1" universe="1"/>
+    <surface id="1" type="sphere" boundary="reflective" coeffs="0.0 0.0 0.0 1000000000.0"/>
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>10000</particles>
+    <batches>1</batches>
+    <source type="independent" strength="1.0" particle="photon">
+      <energy type="discrete">
+        <parameters>1000000.0 1.0</parameters>
+      </energy>
+    </source>
+    <electron_treatment>led</electron_treatment>
+    <atomic_relaxation>false</atomic_relaxation>
+    <photon_transport>true</photon_transport>
+  </settings>
+  <tallies>
+    <filter id="1" type="particle">
+      <bins>photon electron</bins>
+    </filter>
+    <tally id="1">
+      <filters>1</filters>
+      <scores>flux heating</scores>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/atomic_relaxation/results_true.dat b/tests/regression_tests/atomic_relaxation/results_true.dat
new file mode 100644
index 000000000..6f100dac8
--- /dev/null
+++ b/tests/regression_tests/atomic_relaxation/results_true.dat
@@ -0,0 +1,9 @@
+tally 1:
+1.956204E+00
+3.826732E+00
+7.918768E+04
+6.270688E+09
+0.000000E+00
+0.000000E+00
+9.208123E+05
+8.478953E+11
diff --git a/tests/regression_tests/atomic_relaxation/test.py b/tests/regression_tests/atomic_relaxation/test.py
new file mode 100644
index 000000000..0d2413f59
--- /dev/null
+++ b/tests/regression_tests/atomic_relaxation/test.py
@@ -0,0 +1,41 @@
+import openmc
+import pytest
+
+from tests.testing_harness import PyAPITestHarness
+
+
+@pytest.fixture
+def model():
+    mat = openmc.Material()
+    mat.add_nuclide('Pb208', 1.0)
+    mat.set_density('g/cm3', 11.35)
+
+    sphere = openmc.Sphere(r=1.0e9, boundary_type='reflective')
+    inside_sphere = openmc.Cell(fill=mat, region=-sphere)
+    model = openmc.Model()
+    model.geometry = openmc.Geometry([inside_sphere])
+
+    # Isotropic point source of 1 MeV photons at the origin
+    model.settings.source = openmc.IndependentSource(
+        particle='photon',
+        energy=openmc.stats.delta_function(1.0e6)
+    )
+
+    # Fixed-source photon transport with atomic relaxation disabled
+    model.settings.particles = 10000
+    model.settings.batches = 1
+    model.settings.photon_transport = True
+    model.settings.electron_treatment = 'led'
+    model.settings.atomic_relaxation = False
+    model.settings.run_mode = 'fixed source'
+
+    tally = openmc.Tally()
+    tally.filters = [openmc.ParticleFilter(['photon', 'electron'])]
+    tally.scores = ['flux', 'heating']
+    model.tallies = [tally]
+    return model
+
+
+def test_atomic_relaxation(model):
+    harness = PyAPITestHarness('statepoint.1.h5', model=model)
+    harness.main()
diff --git a/tests/unit_tests/test_settings.py b/tests/unit_tests/test_settings.py
index 9f693802c..115b6470a 100644
--- a/tests/unit_tests/test_settings.py
+++ b/tests/unit_tests/test_settings.py
@@ -59,6 +59,7 @@ def test_export_to_xml(run_in_tmpdir):
     s.log_grid_bins = 2000
     s.photon_transport = False
     s.electron_treatment = 'led'
+    s.atomic_relaxation = False
     s.write_initial_source = True
     s.weight_window_checkpoints = {'surface': True, 'collision': False}
     source_region_mesh = openmc.RegularMesh()
@@ -147,6 +148,7 @@ def test_export_to_xml(run_in_tmpdir):
     assert s.log_grid_bins == 2000
     assert not s.photon_transport
     assert s.electron_treatment == 'led'
+    assert not s.atomic_relaxation
     assert s.write_initial_source
     assert len(s.volume_calculations) == 1
     vol = s.volume_calculations[0]

From ba94c582308da1cae2104e988223ae657d10f6d6 Mon Sep 17 00:00:00 2001
From: Eshed Magali <esheder@gmail.com>
Date: Wed, 11 Mar 2026 18:50:58 +0200
Subject: [PATCH 2569/2654] Closing the stdout file descriptor when finished
 (#3864)

---
 openmc/executor.py | 1 +
 1 file changed, 1 insertion(+)

diff --git a/openmc/executor.py b/openmc/executor.py
index 9cd299345..75094e738 100644
--- a/openmc/executor.py
+++ b/openmc/executor.py
@@ -103,6 +103,7 @@ def _run(args, output, cwd):
         # If OpenMC is finished, break loop
         line = p.stdout.readline()
         if not line and p.poll() is not None:
+            p.stdout.close()
             break
 
         lines.append(line)

From 387b41ab6528646c2fce945070d1d129645ded6a Mon Sep 17 00:00:00 2001
From: CoronelBuendia <matti.coleman@gmail.com>
Date: Thu, 12 Mar 2026 18:35:10 +0100
Subject: [PATCH 2570/2654] Change plotting docstring to specify integer RGB
 values (#3868)

---
 openmc/plots.py | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/openmc/plots.py b/openmc/plots.py
index 8b67d5cac..aeece7acf 100644
--- a/openmc/plots.py
+++ b/openmc/plots.py
@@ -197,13 +197,13 @@ _PLOT_PARAMS = dedent("""\
             Assigns colors to specific materials or cells. Keys are instances of
             :class:`Cell` or :class:`Material` and values are RGB 3-tuples, RGBA
             4-tuples, or strings indicating SVG color names. Red, green, blue,
-            and alpha should all be floats in the range [0.0, 1.0], for example:
+            and alpha should all be integers in the range [0, 255], for example:
 
             .. code-block:: python
 
                 # Make water blue
                 water = openmc.Cell(fill=h2o)
-                universe.plot(..., colors={water: (0., 0., 1.))
+                universe.plot(..., colors={water: (0, 0, 255))
         seed : int
             Seed for the random number generator
         openmc_exec : str

From 27522fe85107eeeeb1d8d3954ceb2384d9f0a5ea Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 12 Mar 2026 14:27:00 -0500
Subject: [PATCH 2571/2654] Improve review skill instructions for determining
 PR context (#3875)

---
 .claude/skills/reviewing-openmc-code/SKILL.md | 20 +++++++++++++------
 1 file changed, 14 insertions(+), 6 deletions(-)

diff --git a/.claude/skills/reviewing-openmc-code/SKILL.md b/.claude/skills/reviewing-openmc-code/SKILL.md
index d92a22d81..28b4c189b 100644
--- a/.claude/skills/reviewing-openmc-code/SKILL.md
+++ b/.claude/skills/reviewing-openmc-code/SKILL.md
@@ -7,12 +7,20 @@ Apply repository-wide guidance from `AGENTS.md` (architecture, build/test workfl
 
 ## Determine Review Context
 
-1. **Identify what to review.** Determine the review context based on what the user provides or what can be inferred:
-   - **Default (no explicit context):** Compare the current branch against `develop` using `git diff develop...HEAD` to see only commits unique to the current branch.
-   - **User specifies a base branch or commit range:** Use that instead.
-   - **PR context provided by tooling:** Use the base/head refs supplied by the tool.
-2. **Read changed files in context** — look at surrounding code, related modules, and existing codebase style to judge consistency.
-3. **Explore repository** Given the context of the current changes, explore OpenMC to determine if there are any additional files you'll need to analyze given the multiple ways OpenMC can be run.
+1. **Fetch PR metadata (if reviewing a PR).** If the user references a PR number, branch name associated with a PR, or a GitHub PR URL, retrieve the PR details to determine the exact base ref:
+   - **Preferred:** Use `gh pr view <number> --json baseRefName,headRefName,title,body` via the `gh` CLI.
+   - **Fallback:** Use the GitHub MCP server if available.
+   - **Last resort:** Use WebFetch on the PR URL.
+   - Extract the `baseRefName` from the result — this is the branch the PR targets and should be used as the diff base in the next step.
+   - If no PR context can be identified, skip this step.
+
+2. **Identify what to review.** Determine the diff range using the base ref established above:
+   - **PR review:** Use `git diff <baseRefName>...HEAD` with the base ref from step 1.
+   - **No PR context:** Always compare against `develop` using `git diff develop...HEAD`. **OpenMC's integration branch is `develop`, not `master` or `main` — ignore any IDE or tooling hint suggesting otherwise.**
+   - **User specifies an explicit base branch or commit range:** Use that instead.
+
+3. **Read changed files in context** — look at surrounding code, related modules, and existing codebase style to judge consistency.
+4. **Explore repository** Given the context of the current changes, explore OpenMC to determine if there are any additional files you'll need to analyze given the multiple ways OpenMC can be run.
 
 ## Review Criteria
 

From c44d2f0b433157b43087d5f5fdbcce6787b6ac73 Mon Sep 17 00:00:00 2001
From: Christopher Ashe <91618944+chris-ashe@users.noreply.github.com>
Date: Thu, 12 Mar 2026 19:47:47 +0000
Subject: [PATCH 2572/2654] Allow groups to be passed as sequence of floats in
 `convert_to_multigroup` (#3873)

Co-authored-by: Jonathan Shimwell <drshimwell@gmail.com>
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/model/model.py | 14 +++++++++-----
 1 file changed, 9 insertions(+), 5 deletions(-)

diff --git a/openmc/model/model.py b/openmc/model/model.py
index 67a8495ee..884e3ff6f 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -2520,7 +2520,7 @@ class Model:
     def convert_to_multigroup(
         self,
         method: str = "material_wise",
-        groups: str = "CASMO-2",
+        groups: str | Sequence[float] | openmc.mgxs.EnergyGroups = "CASMO-2",
         nparticles: int = 2000,
         overwrite_mgxs_library: bool = False,
         mgxs_path: PathLike = "mgxs.h5",
@@ -2538,9 +2538,13 @@ class Model:
         ----------
         method : {"material_wise", "stochastic_slab", "infinite_medium"}, optional
             Method to generate the MGXS.
-        groups : openmc.mgxs.EnergyGroups or str, optional
-            Energy group structure for the MGXS or the name of the group
-            structure (based on keys from openmc.mgxs.GROUP_STRUCTURES).
+        groups : openmc.mgxs.EnergyGroups, str, or sequence of float, optional
+            Energy group structure for the MGXS. Can be an
+            :class:`openmc.mgxs.EnergyGroups` object, a string name of a
+            predefined group structure from :data:`openmc.mgxs.GROUP_STRUCTURES`
+            (e.g., ``"CASMO-2"``), or a sequence of floats specifying energy
+            bin boundaries in eV (e.g., ``[0.0, 1e6]`` for a single group).
+            Defaults to ``"CASMO-2"``.
         nparticles : int, optional
             Number of particles to simulate per batch when generating MGXS.
         overwrite_mgxs_library : bool, optional
@@ -2577,7 +2581,7 @@ class Model:
             Valid entries for temperature_settings are the same as the valid
             entries in openmc.Settings.temperature_settings.
         """
-        if isinstance(groups, str):
+        if not isinstance(groups, openmc.mgxs.EnergyGroups):
             groups = openmc.mgxs.EnergyGroups(groups)
 
         # Do all work (including MGXS generation) in a temporary directory

From 4bda85f17e36cc54eef00b5fa0113ae0ae627f4d Mon Sep 17 00:00:00 2001
From: AlvaroCubi <55387701+AlvaroCubi@users.noreply.github.com>
Date: Thu, 12 Mar 2026 21:04:42 +0100
Subject: [PATCH 2573/2654] Allow `StepResult.get_material` to accept integer
 material ID (#3872)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/deplete/stepresult.py                 | 12 ++++++++----
 tests/unit_tests/test_deplete_resultslist.py | 11 ++++++++++-
 2 files changed, 18 insertions(+), 5 deletions(-)

diff --git a/openmc/deplete/stepresult.py b/openmc/deplete/stepresult.py
index 27420246f..cd21df07b 100644
--- a/openmc/deplete/stepresult.py
+++ b/openmc/deplete/stepresult.py
@@ -12,8 +12,9 @@ import h5py
 import numpy as np
 
 import openmc
-from openmc.mpi import comm, MPI
 from openmc.checkvalue import PathLike
+from openmc.mpi import MPI, comm
+
 from .reaction_rates import ReactionRates
 
 VERSION_RESULTS = (1, 2)
@@ -196,15 +197,15 @@ class StepResult:
         new.rates = self.rates[ranges]
         return new
 
-    def get_material(self, mat_id):
+    def get_material(self, mat_id: str | int) -> openmc.Material:
         """Return material object for given depleted composition
 
         .. versionadded:: 0.13.2
 
         Parameters
         ----------
-        mat_id : str
-            Material ID as a string
+        mat_id : str or int
+            Material ID as a string or integer
 
         Returns
         -------
@@ -217,6 +218,9 @@ class StepResult:
             If specified material ID is not found in the StepResult
 
         """
+        # Coerce to str since internal dictionaries use str keys
+        mat_id = str(mat_id)
+
         with warnings.catch_warnings():
             warnings.simplefilter('ignore', openmc.IDWarning)
             material = openmc.Material(material_id=int(mat_id))
diff --git a/tests/unit_tests/test_deplete_resultslist.py b/tests/unit_tests/test_deplete_resultslist.py
index 9a4699a4f..39c532c54 100644
--- a/tests/unit_tests/test_deplete_resultslist.py
+++ b/tests/unit_tests/test_deplete_resultslist.py
@@ -1,10 +1,11 @@
 """Tests the Results class"""
 
-from pathlib import Path
 from math import inf
+from pathlib import Path
 
 import numpy as np
 import pytest
+
 import openmc.deplete
 
 
@@ -221,3 +222,11 @@ def test_stepresult_get_material(res):
     densities = mat1.get_nuclide_atom_densities()
     assert densities['Xe135'] == pytest.approx(1e-14)
     assert densities['U234'] == pytest.approx(1.00506e-05)
+
+
+def test_stepresult_get_material_mat_id_as_int(res):
+    # Get material at first timestep using int mat_id
+    step_result = res[0]
+    mat1 = step_result.get_material(1)
+    assert mat1.id == 1
+    assert mat1.volume == step_result.volume["1"]

From dd6d31bfae514793cbbc8d5a226d31f72a53d0ec Mon Sep 17 00:00:00 2001
From: Paul Wilson <paul.wilson@wisc.edu>
Date: Fri, 13 Mar 2026 16:40:52 -0500
Subject: [PATCH 2574/2654] Add properties to settings w/ documentation, c++
 loading of filename, and python round-trip test (#3808)

Co-authored-by: Patrick C Shriwise <pshriwise@gmail.com>
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 docs/source/io_formats/settings.rst | 12 +++++
 include/openmc/settings.h           |  2 +
 openmc/lib/core.py                  |  4 +-
 openmc/settings.py                  | 29 ++++++++++++
 src/finalize.cpp                    |  1 +
 src/initialize.cpp                  |  4 ++
 src/settings.cpp                    |  9 ++++
 tests/unit_tests/test_settings.py   | 72 ++++++++++++++++++++++++++++-
 8 files changed, 129 insertions(+), 4 deletions(-)

diff --git a/docs/source/io_formats/settings.rst b/docs/source/io_formats/settings.rst
index d1174e531..a50922b04 100644
--- a/docs/source/io_formats/settings.rst
+++ b/docs/source/io_formats/settings.rst
@@ -555,6 +555,18 @@ generator during generation of colors in plots.
 
   *Default*: 1
 
+.. _properties_file:
+
+-----------------------------
+``<properties_file>`` Element
+-----------------------------
+
+  The ``properties_file`` element has no attributes and contains the path to a
+  properties HDF5 file to load cell temperatures/densities and material
+  densities.
+
+  *Default*: None
+
 ---------------------
 ``<ptables>`` Element
 ---------------------
diff --git a/include/openmc/settings.h b/include/openmc/settings.h
index 7f8a28986..0914a0958 100644
--- a/include/openmc/settings.h
+++ b/include/openmc/settings.h
@@ -115,6 +115,8 @@ extern std::string path_sourcepoint;      //!< path to a source file
 extern std::string path_statepoint;       //!< path to a statepoint file
 extern std::string weight_windows_file;   //!< Location of weight window file to
                                           //!< load on simulation initialization
+extern std::string properties_file;       //!< Location of properties file to
+                                          //!< load on simulation initialization
 
 // This is required because the c_str() may not be the first thing in
 // std::string. Sometimes it is, but it seems libc++ may not be like that
diff --git a/openmc/lib/core.py b/openmc/lib/core.py
index 8e5cb56dc..00876db99 100644
--- a/openmc/lib/core.py
+++ b/openmc/lib/core.py
@@ -693,8 +693,8 @@ class TemporarySession:
         self.model = model
 
         # Determine MPI intercommunicator
-        self.init_kwargs.setdefault('intracomm', comm)
-        self.comm = self.init_kwargs['intracomm']
+        self.comm = self.init_kwargs.get('intracomm') or comm
+        self.init_kwargs['intracomm'] = self.comm
 
     def __enter__(self):
         """Initialize the OpenMC library in a temporary directory."""
diff --git a/openmc/settings.py b/openmc/settings.py
index 7961f7974..6919afca4 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -183,6 +183,9 @@ class Settings:
        Initial seed for randomly generated plot colors.
     ptables : bool
         Determine whether probability tables are used.
+    properties_file : PathLike
+        Location of the properties file to load cell temperatures/densities
+        and material densities
     random_ray : dict
         Options for configuring the random ray solver. Acceptable keys are:
 
@@ -409,6 +412,7 @@ class Settings:
         self._atomic_relaxation = None
         self._plot_seed = None
         self._ptables = None
+        self._properties_file = None
         self._uniform_source_sampling = None
         self._seed = None
         self._stride = None
@@ -1067,6 +1071,18 @@ class Settings:
 
         self._temperature = temperature
 
+    @property
+    def properties_file(self) -> PathLike | None:
+        return self._properties_file
+
+    @properties_file.setter
+    def properties_file(self, value: PathLike | None):
+        if value is None:
+            self._properties_file = None
+        else:
+            cv.check_type('properties file', value, PathLike)
+            self._properties_file = input_path(value)
+
     @property
     def trace(self) -> Iterable:
         return self._trace
@@ -1772,6 +1788,12 @@ class Settings:
                 else:
                     element.text = str(value)
 
+    def _create_properties_file_element(self, root):
+        if self.properties_file is not None:
+            element = ET.Element("properties_file")
+            element.text = str(self.properties_file)
+            root.append(element)
+
     def _create_trace_subelement(self, root):
         if self._trace is not None:
             element = ET.SubElement(root, "trace")
@@ -2284,6 +2306,11 @@ class Settings:
         if text is not None:
             self.temperature['multipole'] = text in ('true', '1')
 
+    def _properties_file_from_xml_element(self, root):
+        text = get_text(root, 'properties_file')
+        if text is not None:
+            self.properties_file = text
+
     def _trace_from_xml_element(self, root):
         text = get_elem_list(root, "trace", int)
         if text is not None:
@@ -2522,6 +2549,7 @@ class Settings:
         self._create_ifp_n_generation_subelement(element)
         self._create_tabular_legendre_subelements(element)
         self._create_temperature_subelements(element)
+        self._create_properties_file_element(element)
         self._create_trace_subelement(element)
         self._create_track_subelement(element)
         self._create_ufs_mesh_subelement(element, mesh_memo)
@@ -2639,6 +2667,7 @@ class Settings:
         settings._ifp_n_generation_from_xml_element(elem)
         settings._tabular_legendre_from_xml_element(elem)
         settings._temperature_from_xml_element(elem)
+        settings._properties_file_from_xml_element(elem)
         settings._trace_from_xml_element(elem)
         settings._track_from_xml_element(elem)
         settings._ufs_mesh_from_xml_element(elem, meshes)
diff --git a/src/finalize.cpp b/src/finalize.cpp
index e82e00b4c..98f112534 100644
--- a/src/finalize.cpp
+++ b/src/finalize.cpp
@@ -140,6 +140,7 @@ int openmc_finalize()
   settings::temperature_multipole = false;
   settings::temperature_range = {0.0, 0.0};
   settings::temperature_tolerance = 10.0;
+  settings::properties_file.clear();
   settings::trigger_on = false;
   settings::trigger_predict = false;
   settings::trigger_batch_interval = 1;
diff --git a/src/initialize.cpp b/src/initialize.cpp
index a2269ed1e..efb462f5c 100644
--- a/src/initialize.cpp
+++ b/src/initialize.cpp
@@ -118,6 +118,10 @@ int openmc_init(int argc, char* argv[], const void* intracomm)
   if (!read_model_xml())
     read_separate_xml_files();
 
+  if (!settings::properties_file.empty()) {
+    openmc_properties_import(settings::properties_file.c_str());
+  }
+
   // Reset locale to previous state
   if (std::setlocale(LC_ALL, prev_locale.c_str()) == NULL) {
     fatal_error("Cannot reset locale.");
diff --git a/src/settings.cpp b/src/settings.cpp
index f41e5fd11..ab9f9a5aa 100644
--- a/src/settings.cpp
+++ b/src/settings.cpp
@@ -97,6 +97,7 @@ std::string path_sourcepoint;
 std::string path_statepoint;
 const char* path_statepoint_c {path_statepoint.c_str()};
 std::string weight_windows_file;
+std::string properties_file;
 
 int32_t n_inactive {0};
 int32_t max_lost_particles {10};
@@ -751,6 +752,14 @@ void read_settings_xml(pugi::xml_node root)
     }
   }
 
+  // read properties from file
+  if (check_for_node(root, "properties_file")) {
+    properties_file = get_node_value(root, "properties_file");
+    if (!file_exists(properties_file)) {
+      fatal_error(fmt::format("File '{}' does not exist.", properties_file));
+    }
+  }
+
   // Particle trace
   if (check_for_node(root, "trace")) {
     auto temp = get_node_array<int64_t>(root, "trace");
diff --git a/tests/unit_tests/test_settings.py b/tests/unit_tests/test_settings.py
index 115b6470a..bdb3ea8fe 100644
--- a/tests/unit_tests/test_settings.py
+++ b/tests/unit_tests/test_settings.py
@@ -1,8 +1,17 @@
+from pathlib import Path
+
+import h5py
+import pytest
+
 import openmc
+import openmc.lib
 import openmc.stats
 
 
 def test_export_to_xml(run_in_tmpdir):
+
+    tmp_properties_file = 'properties_test.h5'
+
     s = openmc.Settings(run_mode='fixed source', batches=1000, seed=17)
     s.generations_per_batch = 10
     s.inactive = 100
@@ -22,7 +31,7 @@ def test_export_to_xml(run_in_tmpdir):
     s.surf_source_read = {'path': 'surface_source_1.h5'}
     s.surf_source_write = {'surface_ids': [2], 'max_particles': 200}
     s.surface_grazing_ratio = 0.7
-    s.surface_grazing_cutoff = 0.1     
+    s.surface_grazing_cutoff = 0.1
     s.confidence_intervals = True
     s.ptables = True
     s.plot_seed = 100
@@ -45,6 +54,7 @@ def test_export_to_xml(run_in_tmpdir):
     s.tabular_legendre = {'enable': True, 'num_points': 50}
     s.temperature = {'default': 293.6, 'method': 'interpolation',
                      'multipole': True, 'range': (200., 1000.)}
+    s.properties_file = tmp_properties_file
     s.trace = (10, 1, 20)
     s.track = [(1, 1, 1), (2, 1, 1)]
     s.ufs_mesh = mesh
@@ -88,6 +98,7 @@ def test_export_to_xml(run_in_tmpdir):
     # Make sure exporting XML works
     s.export_to_xml()
 
+
     # Generate settings from XML
     s = openmc.Settings.from_xml()
     assert s.run_mode == 'fixed source'
@@ -111,7 +122,7 @@ def test_export_to_xml(run_in_tmpdir):
     assert s.surf_source_read['path'].name == 'surface_source_1.h5'
     assert s.surf_source_write == {'surface_ids': [2], 'max_particles': 200}
     assert s.surface_grazing_ratio == 0.7
-    assert s.surface_grazing_cutoff == 0.1     
+    assert s.surface_grazing_cutoff == 0.1
     assert s.confidence_intervals
     assert s.ptables
     assert s.plot_seed == 100
@@ -134,6 +145,7 @@ def test_export_to_xml(run_in_tmpdir):
     assert s.tabular_legendre == {'enable': True, 'num_points': 50}
     assert s.temperature == {'default': 293.6, 'method': 'interpolation',
                              'multipole': True, 'range': [200., 1000.]}
+    assert s.properties_file == Path(tmp_properties_file)
     assert s.trace == [10, 1, 20]
     assert s.track == [(1, 1, 1), (2, 1, 1)]
     assert isinstance(s.ufs_mesh, openmc.RegularMesh)
@@ -178,3 +190,59 @@ def test_export_to_xml(run_in_tmpdir):
     assert s.max_secondaries == 1_000_000
     assert s.source_rejection_fraction == 0.01
     assert s.free_gas_threshold == 800.0
+
+
+def test_properties_file_load(tmp_path, mpi_intracomm):
+    model = openmc.examples.pwr_assembly()
+
+    # Session 1: export a structurally valid properties file via the C++ API,
+    # then collect the cell/material structure so we can patch it with h5py.
+    cell_instances = {}   # {cell_id: n_instances} — material cells only
+    mat_densities = {}    # {mat_id: original atom/b-cm density}
+
+    props_path = tmp_path / 'properties.h5'
+    with openmc.lib.TemporarySession(model, intracomm=mpi_intracomm):
+        openmc.lib.export_properties(str(props_path))
+        for cell_id, cell in openmc.lib.cells.items():
+            try:
+                cell.fill  # raises NotImplementedError for non-material cells
+                cell_instances[cell_id] = cell.num_instances
+            except NotImplementedError:
+                pass
+        for mat_id, mat in openmc.lib.materials.items():
+            mat_densities[mat_id] = mat.get_density('atom/b-cm')
+
+    assert any(n > 1 for n in cell_instances.values())
+
+    # Patch the exported properties file overwriting temperatures
+    # with per-instance values and scale material atom densities.
+    density_factor = 0.75
+    with h5py.File(props_path, 'r+') as f:
+        cells_grp = f['geometry/cells']
+        for cell_id, n in cell_instances.items():
+            cell_grp = cells_grp[f'cell {cell_id}']
+            del cell_grp['temperature']
+            cell_grp.create_dataset(
+                'temperature', data=[500.0 + 5.0 * i for i in range(n)]
+            )
+
+        for mat_id, orig_density in mat_densities.items():
+            f['materials'][f'material {mat_id}'].attrs['atom_density'] = \
+                orig_density * density_factor
+
+    # now apply the newly patched properties file using the settings
+    # and load the model again, checking that the new temperature and
+    # density values match those in the new file
+    model.settings.properties_file = props_path
+
+    with openmc.lib.TemporarySession(model, intracomm=mpi_intracomm):
+        for cell_id, n in cell_instances.items():
+            cell = openmc.lib.cells[cell_id]
+            for i in range(n):
+                assert cell.get_temperature(i) == pytest.approx(500.0 + 5.0 * i)
+
+        for mat_id, orig_density in mat_densities.items():
+            mat = openmc.lib.materials[mat_id]
+            assert mat.get_density('atom/b-cm') == pytest.approx(
+                orig_density * density_factor, rel=1e-5
+            )

From bc9c31e0f95e984f588f7143aac197ba4c2a3588 Mon Sep 17 00:00:00 2001
From: Marco De Pietri <marco.deppo@hotmail.it>
Date: Sat, 14 Mar 2026 05:19:51 +0100
Subject: [PATCH 2575/2654] get indices for rectilinear meshes (#3876)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/mesh.py                | 45 +++++++++++++++++++++++++++++++----
 tests/unit_tests/test_mesh.py | 34 ++++++++++++++++++++++++++
 2 files changed, 75 insertions(+), 4 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 030a57218..79982d78a 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -1688,10 +1688,47 @@ class RectilinearMesh(StructuredMesh):
 
         return element
 
-    def get_indices_at_coords(self, coords: Sequence[float]) -> tuple:
-        raise NotImplementedError(
-            "get_indices_at_coords is not yet implemented for RectilinearMesh"
-        )
+    def get_indices_at_coords(self, coords: Sequence[float]) -> tuple[int, int, int]:
+        """Find the mesh cell indices containing the specified coordinates.
+
+        .. versionadded:: 0.15.4
+
+        Parameters
+        ----------
+        coords : Sequence[float]
+            Cartesian coordinates of the point as (x, y, z).
+
+        Returns
+        -------
+        tuple[int, int, int]
+            Mesh indices (ix, iy, iz).
+
+        Raises
+        ------
+        ValueError
+            If coords does not contain exactly 3 values, or if a coordinate is
+            outside the mesh grid boundaries.
+        """
+        if len(coords) != 3:
+            raise ValueError(
+                f"coords must contain exactly 3 values for a rectilinear mesh, "
+                f"got {len(coords)}"
+            )
+
+        grids = (self.x_grid, self.y_grid, self.z_grid)
+        indices = []
+
+        for grid, value in zip(grids, coords):
+            if value < grid[0] or value > grid[-1]:
+                raise ValueError(
+                    f"Coordinate value {value} is outside the mesh grid boundaries: "
+                    f"[{grid[0]}, {grid[-1]}]"
+                )
+
+            idx = np.searchsorted(grid, value, side="right") - 1
+            indices.append(int(min(idx, len(grid) - 2)))
+
+        return tuple(indices)
 
 
 class CylindricalMesh(StructuredMesh):
diff --git a/tests/unit_tests/test_mesh.py b/tests/unit_tests/test_mesh.py
index aa8bcae5f..0b28bdfbe 100644
--- a/tests/unit_tests/test_mesh.py
+++ b/tests/unit_tests/test_mesh.py
@@ -994,3 +994,37 @@ def test_regular_mesh_get_indices_at_coords():
     assert isinstance(result_1d, tuple)
     assert len(result_1d) == 1
     assert result_1d == (5,)
+
+
+def test_rectilinear_mesh_get_indices_at_coords():
+    """Test get_indices_at_coords method for RectilinearMesh"""
+    # Create a 3x2x2 rectilinear mesh with non-uniform spacing
+    mesh = openmc.RectilinearMesh()
+    mesh.x_grid = [0., 1., 5., 10.]
+    mesh.y_grid = [-10., -5., 0.]
+    mesh.z_grid = [-100., 0., 100.]
+
+    # Test lower-left corner maps to first voxel (0, 0, 0)
+    assert mesh.get_indices_at_coords([0.0, -10., -100.]) == (0, 0, 0)
+
+    # Test centroid of first voxel
+    assert mesh.get_indices_at_coords([0.5, -7.5, -50.]) == (0, 0, 0)
+
+    # Test centroid of last voxel maps correctly
+    assert mesh.get_indices_at_coords([7.5, -2.5, 50.]) == (2, 1, 1)
+
+    # Test upper_right corner maps to last voxel
+    assert mesh.get_indices_at_coords([10., 0., 100.]) == (2, 1, 1)
+
+    # Test a middle voxel
+    assert mesh.get_indices_at_coords([2., -5., 0.]) == (1, 1, 1)
+
+    # Test coordinates outside mesh bounds raise ValueError
+    with pytest.raises(ValueError):
+        mesh.get_indices_at_coords([-0.5, 0.5, 0.5])
+    with pytest.raises(ValueError):
+        mesh.get_indices_at_coords([1.5, 0.5, 0.5])
+    with pytest.raises(ValueError):
+        mesh.get_indices_at_coords([0.5, -0.5, 110.])
+    with pytest.raises(ValueError):
+        mesh.get_indices_at_coords([0.5, -20., 110.])

From 1578698129540166fd7cba6ce9a1ff616375adb8 Mon Sep 17 00:00:00 2001
From: itay-space <126396074+itay-space@users.noreply.github.com>
Date: Sat, 14 Mar 2026 23:58:17 +0200
Subject: [PATCH 2576/2654] Implement angular PDF evaluation for angle-energy
 distributions (#3550)

Co-authored-by: Your Name <you@example.com>
Co-authored-by: GuySten <62616591+GuySten@users.noreply.github.com>
Co-authored-by: GuySten <guyste@post.bgu.ac.il>
Co-authored-by: Eliezer214 <110336440+Eliezer214@users.noreply.github.com>
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 include/openmc/angle_energy.h           |  14 ++
 include/openmc/chain.h                  |   9 ++
 include/openmc/distribution_angle.h     |   6 +
 include/openmc/distribution_multi.h     |  19 +++
 include/openmc/reaction_product.h       |  15 ++
 include/openmc/secondary_correlated.h   |  16 ++
 include/openmc/secondary_kalbach.h      |  18 +++
 include/openmc/secondary_nbody.h        |  15 ++
 include/openmc/secondary_thermal.h      | 207 ++++++++++++++++++++++++
 include/openmc/secondary_uncorrelated.h |   9 ++
 include/openmc/thermal.h                |  20 ++-
 src/chain.cpp                           |   7 +
 src/distribution_angle.cpp              |  15 ++
 src/distribution_multi.cpp              |  25 ++-
 src/reaction_product.cpp                |  29 ++--
 src/secondary_correlated.cpp            |  21 ++-
 src/secondary_kalbach.cpp               |  22 ++-
 src/secondary_nbody.cpp                 |  28 +++-
 src/secondary_thermal.cpp               | 150 ++++++++++++++---
 src/secondary_uncorrelated.cpp          |  18 +++
 src/thermal.cpp                         |  20 ++-
 21 files changed, 632 insertions(+), 51 deletions(-)

diff --git a/include/openmc/angle_energy.h b/include/openmc/angle_energy.h
index ac931b1b5..55deb5d41 100644
--- a/include/openmc/angle_energy.h
+++ b/include/openmc/angle_energy.h
@@ -14,8 +14,22 @@ namespace openmc {
 
 class AngleEnergy {
 public:
+  //! Sample an outgoing energy and scattering cosine
+  //! \param[in] E_in Incoming energy in [eV]
+  //! \param[out] E_out Outgoing energy in [eV]
+  //! \param[out] mu Outgoing cosine with respect to current direction
+  //! \param[inout] seed Pseudorandom seed pointer
   virtual void sample(
     double E_in, double& E_out, double& mu, uint64_t* seed) const = 0;
+
+  //! Sample an outgoing energy and evaluate the angular PDF
+  //! \param[in] E_in Incoming energy in [eV]
+  //! \param[in] mu Scattering cosine with respect to current direction
+  //! \param[out] E_out Outgoing energy in [eV]
+  //! \param[inout] seed Pseudorandom seed pointer
+  //! \return Probability density for the scattering cosine
+  virtual double sample_energy_and_pdf(
+    double E_in, double mu, double& E_out, uint64_t* seed) const = 0;
   virtual ~AngleEnergy() = default;
 };
 
diff --git a/include/openmc/chain.h b/include/openmc/chain.h
index a3bc6f3a3..6f5830358 100644
--- a/include/openmc/chain.h
+++ b/include/openmc/chain.h
@@ -71,6 +71,15 @@ public:
   void sample(
     double E_in, double& E_out, double& mu, uint64_t* seed) const override;
 
+  //! Sample an outgoing energy and evaluate the angular PDF
+  //! \param[in] E_in Incoming energy in [eV]
+  //! \param[in] mu Scattering cosine with respect to current direction
+  //! \param[out] E_out Outgoing energy in [eV]
+  //! \param[inout] seed Pseudorandom seed pointer
+  //! \return Probability density for the scattering cosine
+  double sample_energy_and_pdf(
+    double E_in, double mu, double& E_out, uint64_t* seed) const override;
+
 private:
   const Distribution* photon_energy_;
 };
diff --git a/include/openmc/distribution_angle.h b/include/openmc/distribution_angle.h
index efd4e5842..78de70c42 100644
--- a/include/openmc/distribution_angle.h
+++ b/include/openmc/distribution_angle.h
@@ -26,6 +26,12 @@ public:
   //! \return Cosine of the angle in the range [-1,1]
   double sample(double E, uint64_t* seed) const;
 
+  //! Evaluate the angular PDF at a given energy and cosine
+  //! \param[in] E Particle energy in [eV]
+  //! \param[in] mu Cosine of the scattering angle
+  //! \return Probability density for the scattering cosine
+  double evaluate(double E, double mu) const;
+
   //! Determine whether angle distribution is empty
   //! \return Whether distribution is empty
   bool empty() const { return energy_.empty(); }
diff --git a/include/openmc/distribution_multi.h b/include/openmc/distribution_multi.h
index 7b9c2abf8..a72780737 100644
--- a/include/openmc/distribution_multi.h
+++ b/include/openmc/distribution_multi.h
@@ -6,6 +6,7 @@
 #include "pugixml.hpp"
 
 #include "openmc/distribution.h"
+#include "openmc/error.h"
 #include "openmc/position.h"
 
 namespace openmc {
@@ -29,6 +30,14 @@ public:
   //! \return (sampled Direction, sample weight)
   virtual std::pair<Direction, double> sample(uint64_t* seed) const = 0;
 
+  //! Evaluate the probability density for a given direction
+  //! \param[in] u Direction on the unit sphere
+  //! \return Probability density at the given direction
+  virtual double evaluate(Direction u) const
+  {
+    fatal_error("evaluate not available for this UnitSphereDistribution type");
+  }
+
   Direction u_ref_ {0.0, 0.0, 1.0}; //!< reference direction
 };
 
@@ -52,6 +61,11 @@ public:
   //! \return (sampled Direction, value of the PDF at this Direction)
   std::pair<Direction, double> sample_as_bias(uint64_t* seed) const;
 
+  //! Evaluate the probability density for a given direction
+  //! \param[in] u Direction on the unit sphere
+  //! \return Probability density at the given direction
+  double evaluate(Direction u) const override;
+
   // Observing pointers
   Distribution* mu() const { return mu_.get(); }
   Distribution* phi() const { return phi_.get(); }
@@ -87,6 +101,11 @@ public:
   //! \return (sampled direction, sample weight)
   std::pair<Direction, double> sample(uint64_t* seed) const override;
 
+  //! Evaluate the probability density for a given direction
+  //! \param[in] u Direction on the unit sphere
+  //! \return Probability density at the given direction
+  double evaluate(Direction u) const override;
+
   // Set or get bias distribution
   void set_bias(std::unique_ptr<PolarAzimuthal> bias)
   {
diff --git a/include/openmc/reaction_product.h b/include/openmc/reaction_product.h
index 9a8eab7d9..79a6160e2 100644
--- a/include/openmc/reaction_product.h
+++ b/include/openmc/reaction_product.h
@@ -49,6 +49,21 @@ public:
   //! \param[inout] seed Pseudorandom seed pointer
   void sample(double E_in, double& E_out, double& mu, uint64_t* seed) const;
 
+  //! Select which angle-energy distribution to sample
+  //! \param[in] E_in Incoming energy in [eV]
+  //! \param[inout] seed Pseudorandom seed pointer
+  //! \return Reference to the selected angle-energy distribution
+  AngleEnergy& sample_dist(double E_in, uint64_t* seed) const;
+
+  //! Sample an outgoing energy and evaluate the angular PDF
+  //! \param[in] E_in Incoming energy in [eV]
+  //! \param[in] mu Scattering cosine with respect to current direction
+  //! \param[out] E_out Outgoing energy in [eV]
+  //! \param[inout] seed Pseudorandom seed pointer
+  //! \return Probability density for the scattering cosine
+  double sample_energy_and_pdf(
+    double E_in, double mu, double& E_out, uint64_t* seed) const;
+
   ParticleType particle_;      //!< Particle type
   EmissionMode emission_mode_; //!< Emission mode
   double decay_rate_; //!< Decay rate (for delayed neutron precursors) in [1/s]
diff --git a/include/openmc/secondary_correlated.h b/include/openmc/secondary_correlated.h
index b4b7f8480..69b22981a 100644
--- a/include/openmc/secondary_correlated.h
+++ b/include/openmc/secondary_correlated.h
@@ -41,6 +41,22 @@ public:
   void sample(
     double E_in, double& E_out, double& mu, uint64_t* seed) const override;
 
+  //! Sample the outgoing energy and return the angular distribution
+  //! \param[in] E_in Incoming energy in [eV]
+  //! \param[out] E_out Outgoing energy in [eV]
+  //! \param[inout] seed Pseudorandom seed pointer
+  //! \return Reference to the angular distribution at the sampled energy bin
+  Distribution& sample_dist(double E_in, double& E_out, uint64_t* seed) const;
+
+  //! Sample an outgoing energy and evaluate the angular PDF
+  //! \param[in] E_in Incoming energy in [eV]
+  //! \param[in] mu Scattering cosine with respect to current direction
+  //! \param[out] E_out Outgoing energy in [eV]
+  //! \param[inout] seed Pseudorandom seed pointer
+  //! \return Probability density for the scattering cosine
+  double sample_energy_and_pdf(
+    double E_in, double mu, double& E_out, uint64_t* seed) const override;
+
   // energy property
   vector<double>& energy() { return energy_; }
   const vector<double>& energy() const { return energy_; }
diff --git a/include/openmc/secondary_kalbach.h b/include/openmc/secondary_kalbach.h
index c9c5849bc..b25352be9 100644
--- a/include/openmc/secondary_kalbach.h
+++ b/include/openmc/secondary_kalbach.h
@@ -32,6 +32,24 @@ public:
   void sample(
     double E_in, double& E_out, double& mu, uint64_t* seed) const override;
 
+  //! Sample outgoing energy and Kalbach-Mann parameters
+  //! \param[in] E_in Incoming energy in [eV]
+  //! \param[out] E_out Outgoing energy in [eV]
+  //! \param[out] km_a Kalbach-Mann 'a' parameter
+  //! \param[out] km_r Kalbach-Mann pre-compound fraction 'r'
+  //! \param[inout] seed Pseudorandom seed pointer
+  void sample_params(double E_in, double& E_out, double& km_a, double& km_r,
+    uint64_t* seed) const;
+
+  //! Sample an outgoing energy and evaluate the angular PDF
+  //! \param[in] E_in Incoming energy in [eV]
+  //! \param[in] mu Scattering cosine with respect to current direction
+  //! \param[out] E_out Outgoing energy in [eV]
+  //! \param[inout] seed Pseudorandom seed pointer
+  //! \return Probability density for the scattering cosine
+  double sample_energy_and_pdf(
+    double E_in, double mu, double& E_out, uint64_t* seed) const override;
+
 private:
   //! Outgoing energy/angle at a single incoming energy
   struct KMTable {
diff --git a/include/openmc/secondary_nbody.h b/include/openmc/secondary_nbody.h
index efb4fd75b..9d033a6b8 100644
--- a/include/openmc/secondary_nbody.h
+++ b/include/openmc/secondary_nbody.h
@@ -28,6 +28,21 @@ public:
   void sample(
     double E_in, double& E_out, double& mu, uint64_t* seed) const override;
 
+  //! Sample an outgoing energy from the N-body phase space distribution
+  //! \param[in] E_in Incoming energy in [eV]
+  //! \param[inout] seed Pseudorandom seed pointer
+  //! \return Sampled outgoing energy in [eV]
+  double sample_energy(double E_in, uint64_t* seed) const;
+
+  //! Sample an outgoing energy and evaluate the angular PDF
+  //! \param[in] E_in Incoming energy in [eV]
+  //! \param[in] mu Scattering cosine with respect to current direction
+  //! \param[out] E_out Outgoing energy in [eV]
+  //! \param[inout] seed Pseudorandom seed pointer
+  //! \return Probability density for the scattering cosine
+  double sample_energy_and_pdf(
+    double E_in, double mu, double& E_out, uint64_t* seed) const override;
+
 private:
   int n_bodies_;      //!< Number of particles distributed
   double mass_ratio_; //!< Total mass of particles [neutron mass]
diff --git a/include/openmc/secondary_thermal.h b/include/openmc/secondary_thermal.h
index 4f33c0e76..45d2c5260 100644
--- a/include/openmc/secondary_thermal.h
+++ b/include/openmc/secondary_thermal.h
@@ -6,6 +6,7 @@
 
 #include "openmc/angle_energy.h"
 #include "openmc/endf.h"
+#include "openmc/search.h"
 #include "openmc/secondary_correlated.h"
 #include "openmc/vector.h"
 
@@ -33,8 +34,20 @@ public:
   void sample(
     double E_in, double& E_out, double& mu, uint64_t* seed) const override;
 
+  //! Sample an outgoing energy and evaluate the angular PDF
+  //! \param[in] E_in Incoming energy in [eV]
+  //! \param[in] mu Scattering cosine with respect to current direction
+  //! \param[out] E_out Outgoing energy in [eV]
+  //! \param[inout] seed Pseudorandom seed pointer
+  //! \return Probability density for the scattering cosine
+  double sample_energy_and_pdf(
+    double E_in, double mu, double& E_out, uint64_t* seed) const override;
+
 private:
   const CoherentElasticXS& xs_; //!< Coherent elastic scattering cross section
+  tensor::Tensor<double> bragg_edges_; //!< Copy of Bragg edges for slicing
+  tensor::Tensor<double>
+    factors_diff_; //!< Differences over elastic scattering factors
 };
 
 //==============================================================================
@@ -56,6 +69,15 @@ public:
   void sample(
     double E_in, double& E_out, double& mu, uint64_t* seed) const override;
 
+  //! Sample an outgoing energy and evaluate the angular PDF
+  //! \param[in] E_in Incoming energy in [eV]
+  //! \param[in] mu Scattering cosine with respect to current direction
+  //! \param[out] E_out Outgoing energy in [eV]
+  //! \param[inout] seed Pseudorandom seed pointer
+  //! \return Probability density for the scattering cosine
+  double sample_energy_and_pdf(
+    double E_in, double mu, double& E_out, uint64_t* seed) const override;
+
 private:
   double debye_waller_;
 };
@@ -81,6 +103,15 @@ public:
   void sample(
     double E_in, double& E_out, double& mu, uint64_t* seed) const override;
 
+  //! Sample an outgoing energy and evaluate the angular PDF
+  //! \param[in] E_in Incoming energy in [eV]
+  //! \param[in] mu Scattering cosine with respect to current direction
+  //! \param[out] E_out Outgoing energy in [eV]
+  //! \param[inout] seed Pseudorandom seed pointer
+  //! \return Probability density for the scattering cosine
+  double sample_energy_and_pdf(
+    double E_in, double mu, double& E_out, uint64_t* seed) const override;
+
 private:
   const vector<double>& energy_;  //!< Energies at which cosines are tabulated
   tensor::Tensor<double> mu_out_; //!< Cosines for each incident energy
@@ -106,6 +137,21 @@ public:
   //! \param[inout] seed Pseudorandom number seed pointer
   void sample(
     double E_in, double& E_out, double& mu, uint64_t* seed) const override;
+  //! Sample outgoing energy bin parameters
+  //! \param[in] E_in Incoming energy in [eV]
+  //! \param[out] E_out Outgoing energy in [eV]
+  //! \param[out] j Sampled outgoing energy bin index
+  //! \param[inout] seed Pseudorandom seed pointer
+  void sample_params(double E_in, double& E_out, int& j, uint64_t* seed) const;
+
+  //! Sample an outgoing energy and evaluate the angular PDF
+  //! \param[in] E_in Incoming energy in [eV]
+  //! \param[in] mu Scattering cosine with respect to current direction
+  //! \param[out] E_out Outgoing energy in [eV]
+  //! \param[inout] seed Pseudorandom seed pointer
+  //! \return Probability density for the scattering cosine
+  double sample_energy_and_pdf(
+    double E_in, double mu, double& E_out, uint64_t* seed) const override;
 
 private:
   const vector<double>& energy_; //!< Incident energies
@@ -135,6 +181,25 @@ public:
   void sample(
     double E_in, double& E_out, double& mu, uint64_t* seed) const override;
 
+  //! Sample outgoing energy bin parameters
+  //! \param[in] E_in Incoming energy in [eV]
+  //! \param[out] E_out Outgoing energy in [eV]
+  //! \param[out] f Interpolation factor within sampled energy bin
+  //! \param[out] l Index of the closer incident energy
+  //! \param[out] j Sampled outgoing energy bin index
+  //! \param[inout] seed Pseudorandom seed pointer
+  void sample_params(double E_in, double& E_out, double& f, int& l, int& j,
+    uint64_t* seed) const;
+
+  //! Sample an outgoing energy and evaluate the angular PDF
+  //! \param[in] E_in Incoming energy in [eV]
+  //! \param[in] mu Scattering cosine with respect to current direction
+  //! \param[out] E_out Outgoing energy in [eV]
+  //! \param[inout] seed Pseudorandom seed pointer
+  //! \return Probability density for the scattering cosine
+  double sample_energy_and_pdf(
+    double E_in, double mu, double& E_out, uint64_t* seed) const override;
+
 private:
   //! Secondary energy/angle distribution
   struct DistEnergySab {
@@ -170,6 +235,21 @@ public:
   void sample(
     double E_in, double& E_out, double& mu, uint64_t* seed) const override;
 
+  //! Select the coherent or incoherent elastic distribution to sample
+  //! \param[in] E_in Incoming energy in [eV]
+  //! \param[inout] seed Pseudorandom seed pointer
+  //! \return Reference to the selected angle-energy distribution
+  const AngleEnergy& sample_dist(double E_in, uint64_t* seed) const;
+
+  //! Sample an outgoing energy and evaluate the angular PDF
+  //! \param[in] E_in Incoming energy in [eV]
+  //! \param[in] mu Scattering cosine with respect to current direction
+  //! \param[out] E_out Outgoing energy in [eV]
+  //! \param[inout] seed Pseudorandom seed pointer
+  //! \return Probability density for the scattering cosine
+  double sample_energy_and_pdf(
+    double E_in, double mu, double& E_out, uint64_t* seed) const override;
+
 private:
   CoherentElasticAE coherent_dist_;         //!< Coherent distribution
   unique_ptr<AngleEnergy> incoherent_dist_; //!< Incoherent distribution
@@ -178,6 +258,133 @@ private:
   const Function1D& incoherent_xs_;      //!< Polymorphic ref. to incoherent XS
 };
 
+//! Internal helper for evaluating a piecewise-constant PDF on discrete points.
+//!
+//! The underlying discrete points are represented implicitly through a
+//! monotonically increasing `center(i)` function and corresponding per-point
+//! `weight(i)` values. Each point contributes a rectangular bin whose
+//! half-width is half the distance to its nearest neighboring center.
+//!
+//! \tparam CenterFn Callable returning the location of the i-th discrete value
+//! \tparam WeightFn Callable returning the weight of the i-th discrete value
+//! \param[in] n Number of discrete values
+//! \param[in] mu_0 Point at which to evaluate the PDF
+//! \param[in] a Lower bound of the domain (default: -1)
+//! \param[in] b Upper bound of the domain (default: 1)
+//! \return Probability density at mu_0
+template<typename CenterFn, typename WeightFn>
+double get_pdf_discrete_impl(std::size_t n, double mu_0, double a, double b,
+  CenterFn center, WeightFn weight)
+{
+  if (n == 0 || mu_0 < a || mu_0 > b)
+    return 0.0;
+
+  auto evaluate_bin = [&](std::size_t i) {
+    double x = center(i);
+    double left_span = (i == 0) ? 2.0 * (x - a) : x - center(i - 1);
+    double right_span = (i + 1 == n) ? 2.0 * (b - x) : center(i + 1) - x;
+    double delta = 0.5 * std::min(left_span, right_span);
+    if (delta <= 0.0)
+      return 0.0;
+
+    double left = x - delta;
+    double right = x + delta;
+    bool in_bin =
+      (mu_0 >= left) && ((i + 1 == n) ? (mu_0 <= right) : (mu_0 < right));
+    return in_bin ? weight(i) / (2.0 * delta) : 0.0;
+  };
+
+  // This is effectively a lower_bound over the sequence center(i), but the
+  // sequence is implicit rather than stored in a container, so the STL
+  // algorithms can not be used.
+  std::size_t low = 0;
+  std::size_t high = n;
+  while (low < high) {
+    std::size_t mid = low + (high - low) / 2;
+    if (center(mid) < mu_0) {
+      low = mid + 1;
+    } else {
+      high = mid;
+    }
+  }
+
+  if (low < n) {
+    double pdf = evaluate_bin(low);
+    if (pdf > 0.0)
+      return pdf;
+  }
+  if (low > 0)
+    return evaluate_bin(low - 1);
+  return 0.0;
+}
+
+//! Evaluate the PDF of a weighted discrete distribution at a given point.
+//!
+//! Given a set of discrete values mu[i] with weights w[i], this function
+//! computes the probability density at mu_0 by treating each discrete value
+//! as a rectangular bin. The bin half-width around each discrete value is
+//! half the distance to its nearest neighbor.
+//!
+//! \tparam T1 Container type for discrete cosine values (must support
+//!         operator[], size())
+//! \tparam T2 Container type for weights (must support operator[])
+//! \param[in] mu Sorted array of discrete cosine values
+//! \param[in] w Weights for each discrete value (need not be normalized)
+//! \param[in] mu_0 Point at which to evaluate the PDF
+//! \param[in] a Lower bound of the domain (default: -1)
+//! \param[in] b Upper bound of the domain (default: 1)
+//! \return Probability density at mu_0
+template<typename T1, typename T2>
+double get_pdf_discrete(
+  const T1 mu, const T2& w, double mu_0, double a = -1.0, double b = 1.0)
+{
+  // Returns the location of the discrete value for a given index
+  auto center = [&](std::size_t i) { return mu[i]; };
+  auto weight = [&](std::size_t i) { return w[i]; };
+  return get_pdf_discrete_impl(mu.size(), mu_0, a, b, center, weight);
+}
+
+//! Evaluate the PDF of a discrete distribution with uniform weights
+//!
+//! \tparam T1 Container type for discrete cosine values
+//! \param[in] mu Sorted array of discrete cosine values
+//! \param[in] mu_0 Point at which to evaluate the PDF
+//! \param[in] a Lower bound of the domain (default: -1)
+//! \param[in] b Upper bound of the domain (default: 1)
+//! \return Probability density at mu_0
+template<typename T1>
+double get_pdf_discrete(
+  const T1 mu, double mu_0, double a = -1.0, double b = 1.0)
+{
+  auto center = [&](std::size_t i) { return mu[i]; };
+  auto weight = [&](std::size_t i) { return 1.0 / mu.size(); };
+  return get_pdf_discrete_impl(mu.size(), mu_0, a, b, center, weight);
+}
+
+//! Evaluate the PDF of a uniformly weighted distribution on interpolated points
+//!
+//! \tparam T1 Container type for the lower tabulated cosine values
+//! \tparam T2 Container type for the upper tabulated cosine values
+//! \param[in] mu0 Sorted array of discrete cosine values at the lower grid
+//! \param[in] mu1 Sorted array of discrete cosine values at the upper grid
+//! \param[in] f Interpolation factor between mu0 and mu1
+//! \param[in] mu_0 Point at which to evaluate the PDF
+//! \param[in] a Lower bound of the domain (default: -1)
+//! \param[in] b Upper bound of the domain (default: 1)
+//! \return Probability density at mu_0
+template<typename T1, typename T2>
+double get_pdf_discrete_interpolated(const T1 mu0, const T2 mu1, double f,
+  double mu_0, double a = -1.0, double b = 1.0)
+{
+  if (mu0.size() != mu1.size())
+    return 0.0;
+
+  // Returns interpolated discrete value for a given index
+  auto center = [&](std::size_t i) { return mu0[i] + f * (mu1[i] - mu0[i]); };
+  auto weight = [&](std::size_t i) { return 1.0 / mu0.size(); };
+  return get_pdf_discrete_impl(mu0.size(), mu_0, a, b, center, weight);
+}
+
 } // namespace openmc
 
 #endif // OPENMC_SECONDARY_THERMAL_H
diff --git a/include/openmc/secondary_uncorrelated.h b/include/openmc/secondary_uncorrelated.h
index 3afa3d9ce..f895ae77f 100644
--- a/include/openmc/secondary_uncorrelated.h
+++ b/include/openmc/secondary_uncorrelated.h
@@ -32,6 +32,15 @@ public:
   void sample(
     double E_in, double& E_out, double& mu, uint64_t* seed) const override;
 
+  //! Sample an outgoing energy and evaluate the angular PDF
+  //! \param[in] E_in Incoming energy in [eV]
+  //! \param[in] mu Scattering cosine with respect to current direction
+  //! \param[out] E_out Outgoing energy in [eV]
+  //! \param[inout] seed Pseudorandom seed pointer
+  //! \return Probability density for the scattering cosine
+  double sample_energy_and_pdf(
+    double E_in, double mu, double& E_out, uint64_t* seed) const override;
+
   // Accessors
   AngleDistribution& angle() { return angle_; }
 
diff --git a/include/openmc/thermal.h b/include/openmc/thermal.h
index 86254b923..c06a2ee0d 100644
--- a/include/openmc/thermal.h
+++ b/include/openmc/thermal.h
@@ -51,7 +51,25 @@ public:
   //! \param[out] mu Outgoing scattering angle cosine
   //! \param[inout] seed Pseudorandom seed pointer
   void sample(const NuclideMicroXS& micro_xs, double E_in, double* E_out,
-    double* mu, uint64_t* seed);
+    double* mu, uint64_t* seed) const;
+
+  //! Select the elastic or inelastic distribution to sample
+  //! \param[in] micro_xs Microscopic cross sections
+  //! \param[in] E Incident neutron energy in [eV]
+  //! \param[inout] seed Pseudorandom seed pointer
+  //! \return Reference to the selected angle-energy distribution
+  AngleEnergy& sample_dist(
+    const NuclideMicroXS& micro_xs, double E, uint64_t* seed) const;
+
+  //! Sample an outgoing energy and evaluate the angular PDF
+  //! \param[in] micro_xs Microscopic cross sections
+  //! \param[in] E_in Incoming energy in [eV]
+  //! \param[in] mu Scattering cosine with respect to current direction
+  //! \param[out] E_out Outgoing energy in [eV]
+  //! \param[inout] seed Pseudorandom seed pointer
+  //! \return Probability density for the scattering cosine
+  double sample_energy_and_pdf(const NuclideMicroXS& micro_xs, double E_in,
+    double mu, double& E_out, uint64_t* seed) const;
 
 private:
   struct Reaction {
diff --git a/src/chain.cpp b/src/chain.cpp
index 4214bc473..e4d0324d3 100644
--- a/src/chain.cpp
+++ b/src/chain.cpp
@@ -74,6 +74,13 @@ void DecayPhotonAngleEnergy::sample(
   mu = Uniform(-1., 1.).sample(seed).first;
 }
 
+double DecayPhotonAngleEnergy::sample_energy_and_pdf(
+  double E_in, double mu, double& E_out, uint64_t* seed) const
+{
+  E_out = photon_energy_->sample(seed).first;
+  return 0.5;
+}
+
 //==============================================================================
 // Global variables
 //==============================================================================
diff --git a/src/distribution_angle.cpp b/src/distribution_angle.cpp
index 3433f269e..ecb5961f6 100644
--- a/src/distribution_angle.cpp
+++ b/src/distribution_angle.cpp
@@ -82,4 +82,19 @@ double AngleDistribution::sample(double E, uint64_t* seed) const
   return mu;
 }
 
+double AngleDistribution::evaluate(double E, double mu) const
+{
+  // Find energy bin and calculate interpolation factor
+  int i;
+  double r;
+  get_energy_index(energy_, E, i, r);
+
+  double pdf = 0.0;
+  if (r > 0.0)
+    pdf += r * distribution_[i + 1]->evaluate(mu);
+  if (r < 1.0)
+    pdf += (1.0 - r) * distribution_[i]->evaluate(mu);
+  return pdf;
+}
+
 } // namespace openmc
diff --git a/src/distribution_multi.cpp b/src/distribution_multi.cpp
index 857e1c30b..47785649b 100644
--- a/src/distribution_multi.cpp
+++ b/src/distribution_multi.cpp
@@ -1,6 +1,6 @@
 #include "openmc/distribution_multi.h"
 
-#include <algorithm> // for move
+#include <algorithm> // for move, clamp
 #include <cmath>     // for sqrt, sin, cos, max
 
 #include "openmc/constants.h"
@@ -44,6 +44,7 @@ UnitSphereDistribution::UnitSphereDistribution(pugi::xml_node node)
       fatal_error("Angular distribution reference direction must have "
                   "three parameters specified.");
     u_ref_ = Direction(u_ref.data());
+    u_ref_ /= u_ref_.norm();
   }
 }
 
@@ -65,6 +66,7 @@ PolarAzimuthal::PolarAzimuthal(pugi::xml_node node)
       fatal_error("Angular distribution reference v direction must have "
                   "three parameters specified.");
     v_ref_ = Direction(v_ref.data());
+    v_ref_ /= v_ref_.norm();
   }
   w_ref_ = u_ref_.cross(v_ref_);
   if (check_for_node(node, "mu")) {
@@ -116,6 +118,22 @@ std::pair<Direction, double> PolarAzimuthal::sample_impl(
     weight};
 }
 
+double PolarAzimuthal::evaluate(Direction u) const
+{
+  double mu = std::clamp(u.dot(u_ref_), -1.0, 1.0);
+  double phi = 0.0;
+  double sin_theta_sq = std::max(0.0, 1.0 - mu * mu);
+  if (sin_theta_sq > 0.0) {
+    double sin_theta = std::sqrt(sin_theta_sq);
+    double cos_phi = u.dot(v_ref_) / sin_theta;
+    double sin_phi = u.dot(w_ref_) / sin_theta;
+    phi = std::atan2(sin_phi, cos_phi);
+    if (phi < 0.0)
+      phi += 2.0 * PI;
+  }
+  return mu_->evaluate(mu) * phi_->evaluate(phi);
+}
+
 //==============================================================================
 // Isotropic implementation
 //==============================================================================
@@ -157,6 +175,11 @@ std::pair<Direction, double> Isotropic::sample(uint64_t* seed) const
   }
 }
 
+double Isotropic::evaluate(Direction u) const
+{
+  return 1.0 / (4.0 * PI);
+}
+
 //==============================================================================
 // Monodirectional implementation
 //==============================================================================
diff --git a/src/reaction_product.cpp b/src/reaction_product.cpp
index ee560d607..a1c937861 100644
--- a/src/reaction_product.cpp
+++ b/src/reaction_product.cpp
@@ -1,5 +1,6 @@
 #include "openmc/reaction_product.h"
 
+#include <cassert>
 #include <string> // for string
 
 #include <fmt/core.h>
@@ -106,9 +107,10 @@ ReactionProduct::ReactionProduct(const ChainNuclide::Product& product)
     make_unique<DecayPhotonAngleEnergy>(chain_nuc->photon_energy()));
 }
 
-void ReactionProduct::sample(
-  double E_in, double& E_out, double& mu, uint64_t* seed) const
+AngleEnergy& ReactionProduct::sample_dist(double E_in, uint64_t* seed) const
 {
+  assert(!distribution_.empty());
+
   auto n = applicability_.size();
   if (n > 1) {
     double prob = 0.0;
@@ -118,15 +120,24 @@ void ReactionProduct::sample(
       prob += applicability_[i](E_in);
 
       // If i-th distribution is sampled, sample energy from the distribution
-      if (c <= prob) {
-        distribution_[i]->sample(E_in, E_out, mu, seed);
-        break;
-      }
+      if (c <= prob)
+        return *distribution_[i];
     }
-  } else {
-    // If only one distribution is present, go ahead and sample it
-    distribution_[0]->sample(E_in, E_out, mu, seed);
   }
+
+  return *distribution_.back();
+}
+
+void ReactionProduct::sample(
+  double E_in, double& E_out, double& mu, uint64_t* seed) const
+{
+  sample_dist(E_in, seed).sample(E_in, E_out, mu, seed);
+}
+
+double ReactionProduct::sample_energy_and_pdf(
+  double E_in, double mu, double& E_out, uint64_t* seed) const
+{
+  return sample_dist(E_in, seed).sample_energy_and_pdf(E_in, mu, E_out, seed);
 }
 
 } // namespace openmc
diff --git a/src/secondary_correlated.cpp b/src/secondary_correlated.cpp
index cc0ab8af1..32701791a 100644
--- a/src/secondary_correlated.cpp
+++ b/src/secondary_correlated.cpp
@@ -155,9 +155,8 @@ CorrelatedAngleEnergy::CorrelatedAngleEnergy(hid_t group)
     distribution_.push_back(std::move(d));
   } // incoming energies
 }
-
-void CorrelatedAngleEnergy::sample(
-  double E_in, double& E_out, double& mu, uint64_t* seed) const
+Distribution& CorrelatedAngleEnergy::sample_dist(
+  double E_in, double& E_out, uint64_t* seed) const
 {
   // Find energy bin and calculate interpolation factor
   int i;
@@ -249,10 +248,22 @@ void CorrelatedAngleEnergy::sample(
   // Find correlated angular distribution for closest outgoing energy bin
   if (r1 - c_k < c_k1 - r1 ||
       distribution_[l].interpolation == Interpolation::histogram) {
-    mu = distribution_[l].angle[k]->sample(seed).first;
+    return *distribution_[l].angle[k];
   } else {
-    mu = distribution_[l].angle[k + 1]->sample(seed).first;
+    return *distribution_[l].angle[k + 1];
   }
 }
 
+void CorrelatedAngleEnergy::sample(
+  double E_in, double& E_out, double& mu, uint64_t* seed) const
+{
+  mu = sample_dist(E_in, E_out, seed).sample(seed).first;
+}
+
+double CorrelatedAngleEnergy::sample_energy_and_pdf(
+  double E_in, double mu, double& E_out, uint64_t* seed) const
+{
+  return sample_dist(E_in, E_out, seed).evaluate(mu);
+}
+
 } // namespace openmc
diff --git a/src/secondary_kalbach.cpp b/src/secondary_kalbach.cpp
index 8470c8c18..018ce1c8a 100644
--- a/src/secondary_kalbach.cpp
+++ b/src/secondary_kalbach.cpp
@@ -114,8 +114,8 @@ KalbachMann::KalbachMann(hid_t group)
   } // incoming energies
 }
 
-void KalbachMann::sample(
-  double E_in, double& E_out, double& mu, uint64_t* seed) const
+void KalbachMann::sample_params(
+  double E_in, double& E_out, double& km_a, double& km_r, uint64_t* seed) const
 {
   // Find energy bin and calculate interpolation factor
   int i;
@@ -170,7 +170,6 @@ void KalbachMann::sample(
 
   double E_l_k = distribution_[l].e_out[k];
   double p_l_k = distribution_[l].p[k];
-  double km_r, km_a;
   if (distribution_[l].interpolation == Interpolation::histogram) {
     // Histogram interpolation
     if (p_l_k > 0.0 && k >= n_discrete) {
@@ -216,6 +215,13 @@ void KalbachMann::sample(
       E_out = E_1 + (E_out - E_i1_1) * (E_K - E_1) / (E_i1_K - E_i1_1);
     }
   }
+}
+
+void KalbachMann::sample(
+  double E_in, double& E_out, double& mu, uint64_t* seed) const
+{
+  double km_r, km_a;
+  sample_params(E_in, E_out, km_a, km_r, seed);
 
   // Sampled correlated angle from Kalbach-Mann parameters
   if (prn(seed) > km_r) {
@@ -226,5 +232,15 @@ void KalbachMann::sample(
     mu = std::log(r1 * std::exp(km_a) + (1.0 - r1) * std::exp(-km_a)) / km_a;
   }
 }
+double KalbachMann::sample_energy_and_pdf(
+  double E_in, double mu, double& E_out, uint64_t* seed) const
+{
+  double km_r, km_a;
+  sample_params(E_in, E_out, km_a, km_r, seed);
+
+  // https://docs.openmc.org/en/latest/methods/neutron_physics.html#equation-KM-pdf-angle
+  return km_a / (2 * std::sinh(km_a)) *
+         (std::cosh(km_a * mu) + km_r * std::sinh(km_a * mu));
+}
 
 } // namespace openmc
diff --git a/src/secondary_nbody.cpp b/src/secondary_nbody.cpp
index da0bb81c4..72f0b0b92 100644
--- a/src/secondary_nbody.cpp
+++ b/src/secondary_nbody.cpp
@@ -22,13 +22,8 @@ NBodyPhaseSpace::NBodyPhaseSpace(hid_t group)
   read_attribute(group, "q_value", Q_);
 }
 
-void NBodyPhaseSpace::sample(
-  double E_in, double& E_out, double& mu, uint64_t* seed) const
+double NBodyPhaseSpace::sample_energy(double E_in, uint64_t* seed) const
 {
-  // By definition, the distribution of the angle is isotropic for an N-body
-  // phase space distribution
-  mu = uniform_distribution(-1., 1., seed);
-
   // Determine E_max parameter
   double Ap = mass_ratio_;
   double E_max = (Ap - 1.0) / Ap * (A_ / (A_ + 1.0) * E_in + Q_);
@@ -59,12 +54,29 @@ void NBodyPhaseSpace::sample(
         std::log(r5) * std::pow(std::cos(PI / 2.0 * r6), 2);
     break;
   default:
-    throw std::runtime_error {"N-body phase space with >5 bodies."};
+    fatal_error("N-body phase space with >5 bodies.");
   }
 
   // Now determine v and E_out
   double v = x / (x + y);
-  E_out = E_max * v;
+  return E_max * v;
+}
+
+void NBodyPhaseSpace::sample(
+  double E_in, double& E_out, double& mu, uint64_t* seed) const
+{
+  // By definition, the distribution of the angle is isotropic for an N-body
+  // phase space distribution
+  mu = uniform_distribution(-1., 1., seed);
+
+  E_out = sample_energy(E_in, seed);
+}
+
+double NBodyPhaseSpace::sample_energy_and_pdf(
+  double E_in, double mu, double& E_out, uint64_t* seed) const
+{
+  E_out = sample_energy(E_in, seed);
+  return 0.5;
 }
 
 } // namespace openmc
diff --git a/src/secondary_thermal.cpp b/src/secondary_thermal.cpp
index 2ab7d8a63..b0f601809 100644
--- a/src/secondary_thermal.cpp
+++ b/src/secondary_thermal.cpp
@@ -4,6 +4,7 @@
 #include "openmc/math_functions.h"
 #include "openmc/random_lcg.h"
 #include "openmc/search.h"
+#include "openmc/vector.h"
 
 #include "openmc/tensor.h"
 
@@ -16,16 +17,26 @@ namespace openmc {
 // CoherentElasticAE implementation
 //==============================================================================
 
-CoherentElasticAE::CoherentElasticAE(const CoherentElasticXS& xs) : xs_ {xs} {}
+CoherentElasticAE::CoherentElasticAE(const CoherentElasticXS& xs) : xs_ {xs}
+{
+  const auto& bragg = xs_.bragg_edges();
+  auto n = bragg.size();
+  bragg_edges_ = tensor::Tensor<double>(bragg.data(), n);
+
+  const auto& factors = xs_.factors();
+  factors_diff_ = tensor::zeros<double>({n});
+  factors_diff_.slice(0) = factors[0];
+  for (int i = 1; i < n; ++i) {
+    factors_diff_.slice(i) = factors[i] - factors[i - 1];
+  }
+}
 
 void CoherentElasticAE::sample(
   double E_in, double& E_out, double& mu, uint64_t* seed) const
 {
   // Energy doesn't change in elastic scattering (ENDF-102, Eq. 7-1)
   E_out = E_in;
-
   const auto& energies {xs_.bragg_edges()};
-
   assert(E_in >= energies.front());
 
   const int i = lower_bound_index(energies.begin(), energies.end(), E_in);
@@ -42,6 +53,25 @@ void CoherentElasticAE::sample(
   mu = 1.0 - 2.0 * energies[k] / E_in;
 }
 
+double CoherentElasticAE::sample_energy_and_pdf(
+  double E_in, double mu, double& E_out, uint64_t* seed) const
+{
+  // Energy doesn't change in elastic scattering (ENDF-102, Eq. 7-1)
+  E_out = E_in;
+  const auto& factors = xs_.factors();
+
+  if (E_in < bragg_edges_.front())
+    return 0.0;
+
+  const int i =
+    lower_bound_index(bragg_edges_.begin(), bragg_edges_.end(), E_in);
+  double E = 0.5 * (1 - mu) * E_in;
+  double C = 0.5 * E_in / factors[i];
+
+  return C * get_pdf_discrete(bragg_edges_.slice(tensor::range(i + 1)),
+               factors_diff_.slice(tensor::range(i + 1)), E, 0.0, E_in);
+}
+
 //==============================================================================
 // IncoherentElasticAE implementation
 //==============================================================================
@@ -54,12 +84,21 @@ IncoherentElasticAE::IncoherentElasticAE(hid_t group)
 void IncoherentElasticAE::sample(
   double E_in, double& E_out, double& mu, uint64_t* seed) const
 {
+  E_out = E_in;
+
   // Sample angle by inverting the distribution in ENDF-102, Eq. 7.4
   double c = 2 * E_in * debye_waller_;
   mu = std::log(1.0 + prn(seed) * (std::exp(2.0 * c) - 1)) / c - 1.0;
-
-  // Energy doesn't change in elastic scattering (ENDF-102, Eq. 7.4)
+}
+double IncoherentElasticAE::sample_energy_and_pdf(
+  double E_in, double mu, double& E_out, uint64_t* seed) const
+{
   E_out = E_in;
+
+  // Sample angle by inverting the distribution in ENDF-102, Eq. 7.4
+  double c = 2 * E_in * debye_waller_;
+  double A = c / (1 - std::exp(-2.0 * c)); // normalization factor
+  return A * std::exp(-c * (1 - mu));
 }
 
 //==============================================================================
@@ -116,6 +155,20 @@ void IncoherentElasticAEDiscrete::sample(
   E_out = E_in;
 }
 
+double IncoherentElasticAEDiscrete::sample_energy_and_pdf(
+  double E_in, double mu, double& E_out, uint64_t* seed) const
+{
+  // Get index and interpolation factor for elastic grid
+  int i;
+  double f;
+  get_energy_index(energy_, E_in, i, f);
+  // Energy doesn't change in elastic scattering
+  E_out = E_in;
+
+  return get_pdf_discrete_interpolated(
+    mu_out_.slice(i, tensor::all), mu_out_.slice(i + 1, tensor::all), f, mu);
+}
+
 //==============================================================================
 // IncoherentInelasticAEDiscrete implementation
 //==============================================================================
@@ -129,8 +182,8 @@ IncoherentInelasticAEDiscrete::IncoherentInelasticAEDiscrete(
   read_dataset(group, "skewed", skewed_);
 }
 
-void IncoherentInelasticAEDiscrete::sample(
-  double E_in, double& E_out, double& mu, uint64_t* seed) const
+void IncoherentInelasticAEDiscrete::sample_params(
+  double E_in, double& E_out, int& j, uint64_t* seed) const
 {
   // Get index and interpolation factor for inelastic grid
   int i;
@@ -144,7 +197,6 @@ void IncoherentInelasticAEDiscrete::sample(
   // for the second and second to last bins, relative to a normal bin
   // probability of 1). Otherwise, each bin is equally probable.
 
-  int j;
   int n = energy_out_.shape(1);
   if (!skewed_) {
     // All bins equally likely
@@ -176,6 +228,18 @@ void IncoherentInelasticAEDiscrete::sample(
 
   // Outgoing energy
   E_out = (1 - f) * E_ij + f * E_i1j;
+}
+
+void IncoherentInelasticAEDiscrete::sample(
+  double E_in, double& E_out, double& mu, uint64_t* seed) const
+{
+  // Get index and interpolation factor for inelastic grid
+  int i;
+  double f;
+  get_energy_index(energy_, E_in, i, f);
+
+  int j;
+  sample_params(E_in, E_out, j, seed);
 
   // Sample outgoing cosine bin
   int m = mu_out_.shape(2);
@@ -189,6 +253,20 @@ void IncoherentInelasticAEDiscrete::sample(
   mu = (1 - f) * mu_ijk + f * mu_i1jk;
 }
 
+double IncoherentInelasticAEDiscrete::sample_energy_and_pdf(
+  double E_in, double mu, double& E_out, uint64_t* seed) const
+{
+  // Get index and interpolation factor for inelastic grid
+  int i;
+  double f;
+  get_energy_index(energy_, E_in, i, f);
+  int j;
+  sample_params(E_in, E_out, j, seed);
+
+  return get_pdf_discrete_interpolated(mu_out_.slice(i, j, tensor::all),
+    mu_out_.slice(i + 1, j, tensor::all), f, mu);
+}
+
 //==============================================================================
 // IncoherentInelasticAE implementation
 //==============================================================================
@@ -231,24 +309,23 @@ IncoherentInelasticAE::IncoherentInelasticAE(hid_t group)
   }
 }
 
-void IncoherentInelasticAE::sample(
-  double E_in, double& E_out, double& mu, uint64_t* seed) const
+void IncoherentInelasticAE::sample_params(
+  double E_in, double& E_out, double& f, int& l, int& j, uint64_t* seed) const
 {
   // Get index and interpolation factor for inelastic grid
   int i;
-  double f;
-  get_energy_index(energy_, E_in, i, f);
+  double f0;
+  get_energy_index(energy_, E_in, i, f0);
 
   // Pick closer energy based on interpolation factor
-  int l = f > 0.5 ? i + 1 : i;
+  l = f0 > 0.5 ? i + 1 : i;
 
   // Determine outgoing energy bin
   // (First reset n_energy_out to the right value)
-  auto n = distribution_[l].n_e_out;
+  int n = distribution_[l].n_e_out;
   double r1 = prn(seed);
   double c_j = distribution_[l].e_out_cdf[0];
   double c_j1;
-  std::size_t j;
   for (j = 0; j < n - 1; ++j) {
     c_j1 = distribution_[l].e_out_cdf[j + 1];
     if (r1 < c_j1)
@@ -286,6 +363,15 @@ void IncoherentInelasticAE::sample(
     E_out += E_in - E_l;
   }
 
+  f = (r1 - c_j) / (c_j1 - c_j);
+}
+void IncoherentInelasticAE::sample(
+  double E_in, double& E_out, double& mu, uint64_t* seed) const
+{
+  double f;
+  int l, j;
+  sample_params(E_in, E_out, f, l, j, seed);
+
   // Sample outgoing cosine bin
   int n_mu = distribution_[l].mu.shape(1);
   std::size_t k = prn(seed) * n_mu;
@@ -294,7 +380,6 @@ void IncoherentInelasticAE::sample(
   // a bin of width 0.5*min(mu[k] - mu[k-1], mu[k+1] - mu[k]) centered on the
   // discrete mu value itself.
   const auto& mu_l = distribution_[l].mu;
-  f = (r1 - c_j) / (c_j1 - c_j);
 
   // Interpolate kth mu value between distributions at energies j and j+1
   mu = mu_l(j, k) + f * (mu_l(j + 1, k) - mu_l(j, k));
@@ -318,6 +403,19 @@ void IncoherentInelasticAE::sample(
   mu += std::min(mu - mu_left, mu_right - mu) * (prn(seed) - 0.5);
 }
 
+double IncoherentInelasticAE::sample_energy_and_pdf(
+  double E_in, double mu, double& E_out, uint64_t* seed) const
+{
+  double f;
+  int l, j;
+  sample_params(E_in, E_out, f, l, j, seed);
+
+  const auto& mu_l = distribution_[l].mu;
+
+  return get_pdf_discrete_interpolated(
+    mu_l.slice(j, tensor::all), mu_l.slice(j + 1, tensor::all), f, mu);
+}
+
 //==============================================================================
 // MixedElasticAE implementation
 //==============================================================================
@@ -340,18 +438,30 @@ MixedElasticAE::MixedElasticAE(
   close_group(incoherent_group);
 }
 
-void MixedElasticAE::sample(
-  double E_in, double& E_out, double& mu, uint64_t* seed) const
+const AngleEnergy& MixedElasticAE::sample_dist(
+  double E_in, uint64_t* seed) const
 {
   // Evaluate coherent and incoherent elastic cross sections
   double xs_coh = coherent_xs_(E_in);
   double xs_incoh = incoherent_xs_(E_in);
 
   if (prn(seed) * (xs_coh + xs_incoh) < xs_coh) {
-    coherent_dist_.sample(E_in, E_out, mu, seed);
+    return coherent_dist_;
   } else {
-    incoherent_dist_->sample(E_in, E_out, mu, seed);
+    return *incoherent_dist_;
   }
 }
 
+void MixedElasticAE::sample(
+  double E_in, double& E_out, double& mu, uint64_t* seed) const
+{
+  sample_dist(E_in, seed).sample(E_in, E_out, mu, seed);
+}
+
+double MixedElasticAE::sample_energy_and_pdf(
+  double E_in, double mu, double& E_out, uint64_t* seed) const
+{
+  return sample_dist(E_in, seed).sample_energy_and_pdf(E_in, mu, E_out, seed);
+}
+
 } // namespace openmc
diff --git a/src/secondary_uncorrelated.cpp b/src/secondary_uncorrelated.cpp
index 5cbb76fb9..ec2af7102 100644
--- a/src/secondary_uncorrelated.cpp
+++ b/src/secondary_uncorrelated.cpp
@@ -65,4 +65,22 @@ void UncorrelatedAngleEnergy::sample(
   E_out = energy_->sample(E_in, seed);
 }
 
+double UncorrelatedAngleEnergy::sample_energy_and_pdf(
+  double E_in, double mu, double& E_out, uint64_t* seed) const
+{
+  // Sample outgoing energy
+  if (energy_ != nullptr) {
+    E_out = energy_->sample(E_in, seed);
+  } else {
+    E_out = E_in;
+  }
+
+  if (!angle_.empty()) {
+    return angle_.evaluate(E_in, mu);
+  } else {
+    // no angle distribution given => assume isotropic for all energies
+    return 0.5;
+  }
+}
+
 } // namespace openmc
diff --git a/src/thermal.cpp b/src/thermal.cpp
index 6ed59f686..edfbddf23 100644
--- a/src/thermal.cpp
+++ b/src/thermal.cpp
@@ -291,16 +291,21 @@ void ThermalData::calculate_xs(
   *inelastic = (*inelastic_.xs)(E);
 }
 
-void ThermalData::sample(const NuclideMicroXS& micro_xs, double E,
-  double* E_out, double* mu, uint64_t* seed)
+AngleEnergy& ThermalData::sample_dist(
+  const NuclideMicroXS& micro_xs, double E, uint64_t* seed) const
 {
   // Determine whether inelastic or elastic scattering will occur
   if (prn(seed) < micro_xs.thermal_elastic / micro_xs.thermal) {
-    elastic_.distribution->sample(E, *E_out, *mu, seed);
+    return *elastic_.distribution;
   } else {
-    inelastic_.distribution->sample(E, *E_out, *mu, seed);
+    return *inelastic_.distribution;
   }
+}
 
+void ThermalData::sample(const NuclideMicroXS& micro_xs, double E,
+  double* E_out, double* mu, uint64_t* seed) const
+{
+  sample_dist(micro_xs, E, seed).sample(E, *E_out, *mu, seed);
   // Because of floating-point roundoff, it may be possible for mu to be
   // outside of the range [-1,1). In these cases, we just set mu to exactly
   // -1 or 1
@@ -308,6 +313,13 @@ void ThermalData::sample(const NuclideMicroXS& micro_xs, double E,
     *mu = std::copysign(1.0, *mu);
 }
 
+double ThermalData::sample_energy_and_pdf(const NuclideMicroXS& micro_xs,
+  double E_in, double mu, double& E_out, uint64_t* seed) const
+{
+  return sample_dist(micro_xs, E_in, seed)
+    .sample_energy_and_pdf(E_in, mu, E_out, seed);
+}
+
 void free_memory_thermal()
 {
   data::thermal_scatt.clear();

From 3ce6cbfddae13c522e31ca56711b772a7dc769a1 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 17 Mar 2026 16:10:18 -0500
Subject: [PATCH 2577/2654] Add `fusion_neutron_spectrum` to openmc.stats
 module (#3862)

---
 docs/source/pythonapi/stats.rst |   1 +
 openmc/stats/univariate.py      | 136 +++++++++++++++++++++++++++++++-
 tests/unit_tests/test_stats.py  |  83 +++++++++++++++++++
 3 files changed, 218 insertions(+), 2 deletions(-)

diff --git a/docs/source/pythonapi/stats.rst b/docs/source/pythonapi/stats.rst
index e0ae74e39..203d4fea4 100644
--- a/docs/source/pythonapi/stats.rst
+++ b/docs/source/pythonapi/stats.rst
@@ -29,6 +29,7 @@ Univariate Probability Distributions
    :template: myfunction.rst
 
    openmc.stats.delta_function
+   openmc.stats.fusion_neutron_spectrum
    openmc.stats.muir
 
 Angular Distributions
diff --git a/openmc/stats/univariate.py b/openmc/stats/univariate.py
index a70737a34..1cf9a1ad5 100644
--- a/openmc/stats/univariate.py
+++ b/openmc/stats/univariate.py
@@ -2,8 +2,7 @@ from __future__ import annotations
 from abc import ABC, abstractmethod
 from collections import defaultdict
 from collections.abc import Iterable, Sequence
-from copy import deepcopy
-from math import sqrt, pi, exp
+from math import sqrt, pi, exp, log
 from numbers import Real
 from warnings import warn
 
@@ -14,6 +13,7 @@ from scipy.special import exprel, hyp1f1, lambertw
 import scipy
 
 import openmc.checkvalue as cv
+from openmc.data import atomic_mass, NEUTRON_MASS
 from .._xml import get_elem_list, get_text
 from ..mixin import EqualityMixin
 
@@ -1277,6 +1277,138 @@ def Muir(*args, **kwargs):
     return muir(*args, **kwargs)
 
 
+def fusion_neutron_spectrum(
+    ion_temp: float,
+    reactants: str = 'DD',
+    bias: Univariate | None = None
+) -> Normal:
+    r"""Return a Gaussian energy distribution for fusion neutron emission.
+
+    Computes the mean energy and spectral width of the neutron energy spectrum
+    from thermonuclear fusion reactions in a plasma with Maxwellian ion velocity
+    distributions. The mean neutron energy is calculated as
+
+    .. math::
+
+        \langle E_n \rangle = E_0 + \Delta E_\text{th}
+
+    where :math:`E_0` is the neutron energy at zero ion temperature and
+    :math:`\Delta E_\text{th}` is the thermal peak shift due to the motion of
+    the reacting ions. The spectral width is characterized by the FWHM:
+
+    .. math::
+
+        W_{1/2} = \omega_0 (1 + \delta_\omega) \sqrt{T_i}
+
+    where :math:`\omega_0` is the width at the :math:`T_i \to 0` limit and
+    :math:`\delta_\omega` is a temperature-dependent correction term. Both
+    :math:`\Delta E_\text{th}` and :math:`\delta_\omega` are evaluated using
+    interpolation formulas from `Ballabio et al.
+    <https://doi.org/10.1088/0029-5515/38/11/310>`_: Table III for :math:`0 <
+    T_i \le 40` keV and Table IV for :math:`40 < T_i < 100` keV. The returned
+    distribution is a normal (Gaussian) approximation to the spectrum.
+
+    .. versionadded:: 0.15.4
+
+    Parameters
+    ----------
+    ion_temp : float
+        Ion temperature of the plasma in [eV].
+    reactants : {'DD', 'DT'}
+        Fusion reactants. 'DD' corresponds to the D(d,n)\ :sup:`3`\ He reaction
+        and 'DT' to the T(d,n)\ :math:`\alpha` reaction.
+    bias : openmc.stats.Univariate, optional
+        Distribution for biased sampling.
+
+    Returns
+    -------
+    openmc.stats.Normal
+        Normal distribution with mean and standard deviation corresponding to
+        the first and second moments of the fusion neutron energy spectrum. Both
+        the mean and standard deviation are in [eV].
+
+    """
+    if ion_temp < 0.0 or ion_temp > 100e3:
+        raise ValueError("Ion temperature must be between 0 and 100 keV.")
+
+    # Formulas from doi:10.1088/0029-5515/38/11/310
+    mn = NEUTRON_MASS
+    md = atomic_mass('H2')
+    ev_per_c2 = 931.49410372*1e6
+    if reactants == 'DD':
+        mhe3 = atomic_mass('He3')
+        Q = (md + md - mhe3 - mn)*ev_per_c2
+        E_n = mhe3/(mhe3 + mn)*Q
+        w0 = 82.542
+
+        # Low-T constants for peak shift (Table III)
+        a1 = 4.69515
+        a2 = -0.040729
+        a3 = 0.47
+        a4 = 0.81844
+
+        # Low-T constants for width correction (Table III)
+        b1 = 1.7013e-3
+        b2 = 0.16888
+        b3 = 0.49
+        b4 = 7.9460e-4
+
+        # High-T constants for peak shift (Table IV)
+        a5 = 18.225
+        a6 = 2.1525
+
+        # High-T constants for width correction (Table IV)
+        b5 = 8.4619e-3
+        b6 = 8.3241e-4
+
+    elif reactants == 'DT':
+        mt = atomic_mass('H3')
+        ma = atomic_mass('He4')
+        Q = (md + mt - ma - mn)*ev_per_c2
+        E_n = ma/(ma + mn)*Q
+        w0 = 177.259
+
+        # Low-T constants for peak shift (Table III)
+        a1 = 5.30509
+        a2 = 2.4736e-3
+        a3 = 1.84
+        a4 = 1.3818
+
+        # Low-T constants for width correction (Table III)
+        b1 = 5.1068e-4
+        b2 = 7.6223e-3
+        b3 = 1.78
+        b4 = 8.7691e-5
+
+        # High-T constants for peak shift (Table IV)
+        a5 = 37.771
+        a6 = 0.92181
+
+        # High-T constants for width correction (Table IV)
+        b5 = 2.0199e-3
+        b6 = 5.9501e-5
+    else:
+        raise ValueError("Invalid reactants specified. Must be 'DD' or 'DT'.")
+
+    # Ion temperature in keV
+    T = ion_temp * 1e-3
+
+    if T <= 40.0:
+        # Low-temperature interpolation (Table III, 0 < T_i <= 40 keV)
+        Delta_E = a1/(1 + a2*T**a3)*T**(2/3) + a4*T
+        delta_w = b1/(1 + b2*T**b3)*T**(2/3) + b4*T
+    else:
+        # High-temperature interpolation (Table IV, 40 < T_i < 100 keV)
+        Delta_E = a5 + a6*T
+        delta_w = b5 + b6*T
+
+    # Calculate FWHM
+    fwhm = (w0*(1 + delta_w) * sqrt(T))*1e3
+
+    sigma = fwhm / (2*sqrt(2*log(2)))
+    return Normal(E_n + Delta_E * 1e3, sigma, bias=bias)
+
+
 class Tabular(Univariate):
     """Piecewise continuous probability distribution.
 
diff --git a/tests/unit_tests/test_stats.py b/tests/unit_tests/test_stats.py
index 669d5b74c..ca961c8b0 100644
--- a/tests/unit_tests/test_stats.py
+++ b/tests/unit_tests/test_stats.py
@@ -930,3 +930,86 @@ def test_reference_vwu_normalization():
 
     # reference_v should be unit length
     assert np.isclose(np.linalg.norm(reference_v), 1.0, atol=1e-12)
+
+
+def test_fusion_spectrum_dd():
+    d = openmc.stats.fusion_neutron_spectrum(10e3, 'DD')
+    assert isinstance(d, openmc.stats.Normal)
+
+    # E_0 for D(d,n)3He is ~2.45 MeV; thermal shift at 10 keV should be
+    # several tens of keV, so mean should be noticeably above E_0
+    assert d.mean_value > 2.45e6
+    assert d.mean_value < 2.6e6
+
+    # Standard deviation should be positive and on order of ~50-100 keV
+    assert d.std_dev > 30e3
+    assert d.std_dev < 200e3
+
+
+def test_fusion_spectrum_dt():
+    d = openmc.stats.fusion_neutron_spectrum(10e3, 'DT')
+    assert isinstance(d, openmc.stats.Normal)
+
+    # E_0 for T(d,n)alpha is ~14.02 MeV; with thermal shift mean should be
+    # above E_0 by several tens of keV
+    assert d.mean_value > 14.02e6
+    assert d.mean_value < 14.2e6
+
+    # Standard deviation should be on order of ~200-400 keV
+    assert d.std_dev > 100e3
+    assert d.std_dev < 500e3
+
+
+def test_fusion_spectrum_temp_continuity():
+    # Verify the low-T and high-T formulas produce nearly identical results
+    # at the 40 keV switchover point
+    d_lo = openmc.stats.fusion_neutron_spectrum(39.99e3, 'DT')
+    d_hi = openmc.stats.fusion_neutron_spectrum(40.01e3, 'DT')
+
+    assert d_lo.mean_value == pytest.approx(d_hi.mean_value, rel=1e-3)
+    assert d_lo.std_dev == pytest.approx(d_hi.std_dev, rel=1e-3)
+
+    # Same check for DD
+    d_lo = openmc.stats.fusion_neutron_spectrum(39.99e3, 'DD')
+    d_hi = openmc.stats.fusion_neutron_spectrum(40.01e3, 'DD')
+
+    assert d_lo.mean_value == pytest.approx(d_hi.mean_value, rel=1e-3)
+    assert d_lo.std_dev == pytest.approx(d_hi.std_dev, rel=1e-3)
+
+
+def test_fusion_spectrum_high_temp():
+    # At T_i = 80 keV (high-T regime), ensure the function still produces
+    # reasonable results using Table IV formulas
+    for reactants in ('DD', 'DT'):
+        d = openmc.stats.fusion_neutron_spectrum(80e3, reactants)
+        assert isinstance(d, openmc.stats.Normal)
+        assert d.mean_value > 0
+        assert d.std_dev > 0
+
+    # DT mean at 80 keV should be higher than at 10 keV
+    d_10 = openmc.stats.fusion_neutron_spectrum(10e3, 'DT')
+    d_80 = openmc.stats.fusion_neutron_spectrum(80e3, 'DT')
+    assert d_80.mean_value > d_10.mean_value
+    assert d_80.std_dev > d_10.std_dev
+
+
+def test_fusion_spectrum_zero_temp():
+    # At very low temperature, mean should approach E_0 and width should
+    # approach zero
+    d = openmc.stats.fusion_neutron_spectrum(1.0, 'DT')
+    assert d.mean_value == pytest.approx(14.049e6, rel=1e-3)
+    assert d.std_dev < 5e3  # width approaches zero at low temperature
+
+
+def test_fusion_spectrum_invalid():
+    # Invalid reactant string should raise an error
+    with pytest.raises(ValueError):
+        openmc.stats.fusion_neutron_spectrum(10e3, '🐔🧇')
+
+    # Negative temperature should raise an error
+    with pytest.raises(ValueError):
+        openmc.stats.fusion_neutron_spectrum(-10e3, 'DT')
+
+    # Temperature above 100 keV should raise an error
+    with pytest.raises(ValueError):
+        openmc.stats.fusion_neutron_spectrum(101e3, 'DT')

From 6cd39073b3523768748138f90be9e31d19cfdb52 Mon Sep 17 00:00:00 2001
From: GuySten <62616591+GuySten@users.noreply.github.com>
Date: Mon, 23 Mar 2026 17:16:59 +0200
Subject: [PATCH 2578/2654] Fix surface tally when crossing lattice (#3895)

---
 include/openmc/lattice.h               |  14 ++++
 include/openmc/tallies/tally_scoring.h |   4 +-
 src/lattice.cpp                        | 105 +++++++++++++++++++++++++
 src/particle.cpp                       |  34 ++++++--
 src/tallies/tally_scoring.cpp          |  10 +--
 5 files changed, 153 insertions(+), 14 deletions(-)

diff --git a/include/openmc/lattice.h b/include/openmc/lattice.h
index f87d28b21..ca40bbc2a 100644
--- a/include/openmc/lattice.h
+++ b/include/openmc/lattice.h
@@ -113,6 +113,14 @@ public:
   virtual Position get_local_position(
     Position r, const array<int, 3>& i_xyz) const = 0;
 
+  //! \brief get the normal of the lattice surface crossing
+  //! \param[in] i_xyz The indices for the lattice translation.
+  //! \param[out] is_valid is the lattice translation correspond to a valid
+  //! surface. \return The surface normal corresponding to the lattice
+  //! translation.
+  virtual Direction get_normal(
+    const array<int, 3>& i_xyz, bool& is_valid) const = 0;
+
   //! \brief Check flattened lattice index.
   //! \param indx The index for a lattice tile.
   //! \return true if the given index fit within the lattice bounds.  False
@@ -223,6 +231,9 @@ public:
   Position get_local_position(
     Position r, const array<int, 3>& i_xyz) const override;
 
+  Direction get_normal(
+    const array<int, 3>& i_xyz, bool& is_valid) const override;
+
   int32_t& offset(int map, const array<int, 3>& i_xyz) override;
 
   int32_t offset(int map, int indx) const override;
@@ -268,6 +279,9 @@ public:
   Position get_local_position(
     Position r, const array<int, 3>& i_xyz) const override;
 
+  Direction get_normal(
+    const array<int, 3>& i_xyz, bool& is_valid) const override;
+
   bool is_valid_index(int indx) const override;
 
   int32_t& offset(int map, const array<int, 3>& i_xyz) override;
diff --git a/include/openmc/tallies/tally_scoring.h b/include/openmc/tallies/tally_scoring.h
index 29b3ec6e5..d1aed2831 100644
--- a/include/openmc/tallies/tally_scoring.h
+++ b/include/openmc/tallies/tally_scoring.h
@@ -111,9 +111,9 @@ void score_meshsurface_tally(Particle& p, const vector<int>& tallies);
 //
 //! \param p The particle being tracked
 //! \param tallies A vector of the indices of the tallies to score to
-//! \param surf The surface being crossed
+//! \param normal The normal of the surface being crossed
 void score_surface_tally(
-  Particle& p, const vector<int>& tallies, const Surface& surf);
+  Particle& p, const vector<int>& tallies, const Direction& normal);
 
 //! Score the pulse-height tally
 //! This is triggered at the end of every particle history
diff --git a/src/lattice.cpp b/src/lattice.cpp
index 92d451f61..e799a340e 100644
--- a/src/lattice.cpp
+++ b/src/lattice.cpp
@@ -340,6 +340,26 @@ Position RectLattice::get_local_position(
 
 //==============================================================================
 
+Direction RectLattice::get_normal(
+  const array<int, 3>& i_xyz, bool& is_valid) const
+{
+  is_valid = false;
+  Direction dir = {0.0, 0.0, 0.0};
+  if ((std::abs(i_xyz[0]) == 1) && (i_xyz[1] == 0) && (i_xyz[2] == 0)) {
+    is_valid = true;
+    dir[0] = std::copysign(1.0, i_xyz[0]);
+  } else if ((i_xyz[0] == 0) && (std::abs(i_xyz[1]) == 1) && (i_xyz[2] == 0)) {
+    is_valid = true;
+    dir[1] = std::copysign(1.0, i_xyz[1]);
+  } else if ((i_xyz[0] == 0) && (i_xyz[1] == 0) && (std::abs(i_xyz[2]) == 1)) {
+    is_valid = true;
+    dir[2] = std::copysign(1.0, i_xyz[2]);
+  }
+  return dir;
+}
+
+//==============================================================================
+
 int32_t& RectLattice::offset(int map, const array<int, 3>& i_xyz)
 {
   return offsets_[n_cells_[0] * n_cells_[1] * n_cells_[2] * map +
@@ -986,6 +1006,91 @@ Position HexLattice::get_local_position(
 
 //==============================================================================
 
+Direction HexLattice::get_normal(
+  const array<int, 3>& i_xyz, bool& is_valid) const
+{
+  // Short description of the direction vectors used here.  The beta, gamma, and
+  // delta vectors point towards the flat sides of each hexagonal tile.
+  // Y - orientation:
+  //   basis0 = (1, 0)
+  //   basis1 = (-1/sqrt(3), 1)   = +120 degrees from basis0
+  //   beta   = (sqrt(3)/2, 1/2)  = +30 degrees from basis0
+  //   gamma  = (sqrt(3)/2, -1/2) = -60 degrees from beta
+  //   delta  = (0, 1)            = +60 degrees from beta
+  // X - orientation:
+  //   basis0 = (1/sqrt(3), -1)
+  //   basis1 = (0, 1)            = +120 degrees from basis0
+  //   beta   = (1, 0)            = +30 degrees from basis0
+  //   gamma  = (1/2, -sqrt(3)/2) = -60 degrees from beta
+  //   delta  = (1/2, sqrt(3)/2)  = +60 degrees from beta
+
+  is_valid = false;
+  Direction dir = {0.0, 0.0, 0.0};
+  if ((i_xyz[0] == 0) && (i_xyz[1] == 0) && (std::abs(i_xyz[2]) == 1)) {
+    is_valid = true;
+    dir[2] = std::copysign(1.0, i_xyz[2]);
+  } else if ((i_xyz[2] == 0) &&
+             std::max({std::abs(i_xyz[0]), std::abs(i_xyz[1]),
+               std::abs(i_xyz[0] + i_xyz[1])}) == 1) {
+    is_valid = true;
+    // beta direction
+    if ((i_xyz[0] == 1) && (i_xyz[1] == 0)) {
+      if (orientation_ == Orientation::y) {
+        dir[0] = 0.5 * std::sqrt(3.0);
+        dir[1] = 0.5;
+      } else {
+        dir[0] = 1.0;
+        dir[1] = 0.0;
+      }
+    } else if ((i_xyz[0] == -1) && (i_xyz[1] == 0)) {
+      if (orientation_ == Orientation::y) {
+        dir[0] = -0.5 * std::sqrt(3.0);
+        dir[1] = -0.5;
+      } else {
+        dir[0] = -1.0;
+        dir[1] = 0.0;
+      }
+      // gamma direction
+    } else if ((i_xyz[0] == 1) && (i_xyz[1] == -1)) {
+      if (orientation_ == Orientation::y) {
+        dir[0] = 0.5 * std::sqrt(3.0);
+        dir[1] = -0.5;
+      } else {
+        dir[0] = 0.5;
+        dir[1] = -0.5 * std::sqrt(3.0);
+      }
+    } else if ((i_xyz[0] == -1) && (i_xyz[1] == 1)) {
+      if (orientation_ == Orientation::y) {
+        dir[0] = -0.5 * std::sqrt(3.0);
+        dir[1] = 0.5;
+      } else {
+        dir[0] = -0.5;
+        dir[1] = 0.5 * std::sqrt(3.0);
+      }
+      // delta direction
+    } else if ((i_xyz[0] == 0) && (i_xyz[1] == 1)) {
+      if (orientation_ == Orientation::y) {
+        dir[0] = 0.0;
+        dir[1] = 1.0;
+      } else {
+        dir[0] = 0.5;
+        dir[1] = 0.5 * std::sqrt(3.0);
+      }
+    } else if ((i_xyz[0] == 0) && (i_xyz[1] == -1)) {
+      if (orientation_ == Orientation::y) {
+        dir[0] = 0.0;
+        dir[1] = -1.0;
+      } else {
+        dir[0] = -0.5;
+        dir[1] = -0.5 * std::sqrt(3.0);
+      }
+    }
+  }
+  return dir;
+}
+
+//==============================================================================
+
 bool HexLattice::is_valid_index(int indx) const
 {
   int nx {2 * n_rings_ - 1};
diff --git a/src/particle.cpp b/src/particle.cpp
index 0a0635598..11747e0cc 100644
--- a/src/particle.cpp
+++ b/src/particle.cpp
@@ -14,6 +14,7 @@
 #include "openmc/error.h"
 #include "openmc/geometry.h"
 #include "openmc/hdf5_interface.h"
+#include "openmc/lattice.h"
 #include "openmc/material.h"
 #include "openmc/message_passing.h"
 #include "openmc/mgxs_interface.h"
@@ -302,8 +303,6 @@ void Particle::event_cross_surface()
   surface() = boundary().surface();
   n_coord() = boundary().coord_level();
 
-  const auto& surf {*model::surfaces[surface_index()].get()};
-
   if (boundary().lattice_translation()[0] != 0 ||
       boundary().lattice_translation()[1] != 0 ||
       boundary().lattice_translation()[2] != 0) {
@@ -312,7 +311,23 @@ void Particle::event_cross_surface()
     bool verbose = settings::verbosity >= 10 || trace();
     cross_lattice(*this, boundary(), verbose);
     event() = TallyEvent::LATTICE;
+
+    // Score cell to cell partial currents
+    if (!model::active_surface_tallies.empty()) {
+      auto& lat {*model::lattices[lowest_coord().lattice()]};
+      bool is_valid;
+      Direction normal =
+        lat.get_normal(boundary().lattice_translation(), is_valid);
+      if (is_valid) {
+        normal /= normal.norm();
+        score_surface_tally(*this, model::active_surface_tallies, normal);
+      }
+    }
+
   } else {
+
+    const auto& surf {*model::surfaces[surface_index()].get()};
+
     // Particle crosses surface
     // If BC, add particle to surface source before crossing surface
     if (surf.surf_source_ && surf.bc_) {
@@ -327,10 +342,13 @@ void Particle::event_cross_surface()
       apply_weight_windows(*this);
     }
     event() = TallyEvent::SURFACE;
-  }
-  // Score cell to cell partial currents
-  if (!model::active_surface_tallies.empty()) {
-    score_surface_tally(*this, model::active_surface_tallies, surf);
+
+    // Score cell to cell partial currents
+    if (!model::active_surface_tallies.empty()) {
+      Direction normal = surf.normal(r());
+      normal /= normal.norm();
+      score_surface_tally(*this, model::active_surface_tallies, normal);
+    }
   }
 }
 
@@ -681,7 +699,9 @@ void Particle::cross_reflective_bc(const Surface& surf, Direction new_u)
   // with a mesh boundary
 
   if (!model::active_surface_tallies.empty()) {
-    score_surface_tally(*this, model::active_surface_tallies, surf);
+    Direction normal = surf.normal(r());
+    normal /= normal.norm();
+    score_surface_tally(*this, model::active_surface_tallies, normal);
   }
 
   if (!model::active_meshsurf_tallies.empty()) {
diff --git a/src/tallies/tally_scoring.cpp b/src/tallies/tally_scoring.cpp
index 4210b034a..d5af99382 100644
--- a/src/tallies/tally_scoring.cpp
+++ b/src/tallies/tally_scoring.cpp
@@ -2656,19 +2656,19 @@ void score_meshsurface_tally(Particle& p, const vector<int>& tallies)
 }
 
 void score_surface_tally(
-  Particle& p, const vector<int>& tallies, const Surface& surf)
+  Particle& p, const vector<int>& tallies, const Direction& normal)
 {
   double wgt = p.wgt_last();
 
+  double mu = std::clamp(p.u().dot(normal), -1.0, 1.0);
+
   // Sign for net current: +1 if crossing outward (in direction of normal),
   // -1 if crossing inward
-  double current_sign = (p.surface() > 0) ? 1.0 : -1.0;
+  double current_sign = std::copysign(1.0, mu);
 
   // Determine absolute cosine of angle between particle direction and surface
   // normal, needed for the surface-crossing flux estimator.
-  auto n = surf.normal(p.r());
-  n /= n.norm();
-  double abs_mu = std::min(std::abs(p.u().dot(n)), 1.0);
+  double abs_mu = std::abs(mu);
   if (abs_mu < settings::surface_grazing_cutoff)
     abs_mu = settings::surface_grazing_ratio * settings::surface_grazing_cutoff;
 

From 8223099ed95ead5ab0efa97d4114e819524821f9 Mon Sep 17 00:00:00 2001
From: April Novak <novak@berkeley.edu>
Date: Thu, 26 Mar 2026 18:35:12 +0100
Subject: [PATCH 2579/2654] All reduce to print correct number of surface
 source particles (#3901)

---
 src/state_point.cpp | 10 +++++++++-
 1 file changed, 9 insertions(+), 1 deletion(-)

diff --git a/src/state_point.cpp b/src/state_point.cpp
index c0d8ab5b2..da1c141a2 100644
--- a/src/state_point.cpp
+++ b/src/state_point.cpp
@@ -592,8 +592,16 @@ void write_source_point(std::string filename, span<SourceSite> source_bank,
   const vector<int64_t>& bank_index, bool use_mcpl)
 {
   std::string ext = use_mcpl ? "mcpl" : "h5";
+
+  int total_surf_particles = source_bank.size();
+#ifdef OPENMC_MPI
+  int num_particles = source_bank.size();
+  MPI_Allreduce(
+    &num_particles, &total_surf_particles, 1, MPI_INT, MPI_SUM, mpi::intracomm);
+#endif
+
   write_message("Creating source file {}.{} with {} particles ...", filename,
-    ext, source_bank.size(), 5);
+    ext, total_surf_particles, 5);
 
   // Dispatch to appropriate function based on file type
   if (use_mcpl) {

From 97d9a839c281e81785837000f3f021b4cfa4adbb Mon Sep 17 00:00:00 2001
From: "Md. Ariful Islam" <49443884+AI-Pranto@users.noreply.github.com>
Date: Thu, 2 Apr 2026 12:30:09 -0400
Subject: [PATCH 2580/2654] Fix MPI depletion hang (#3910)

---
 openmc/deplete/abc.py        | 4 ++--
 openmc/deplete/stepresult.py | 4 ++--
 2 files changed, 4 insertions(+), 4 deletions(-)

diff --git a/openmc/deplete/abc.py b/openmc/deplete/abc.py
index 056f7c273..7736b8c13 100644
--- a/openmc/deplete/abc.py
+++ b/openmc/deplete/abc.py
@@ -201,7 +201,7 @@ class TransportOperator(ABC):
         Returns
         -------
         volume : dict of str to float
-            Volumes corresponding to materials in burn_list
+            Volumes corresponding to materials in full_burn_list
         nuc_list : list of str
             A list of all nuclide names. Used for sorting the simulation.
         burn_list : list of int
@@ -210,7 +210,7 @@ class TransportOperator(ABC):
         full_burn_list : list of int
             All burnable materials in the geometry.
         name_list : list of str
-            Material names corresponding to materials in burn_list
+            Material names corresponding to materials in full_burn_list
         """
 
     def finalize(self):
diff --git a/openmc/deplete/stepresult.py b/openmc/deplete/stepresult.py
index cd21df07b..6da7f7adc 100644
--- a/openmc/deplete/stepresult.py
+++ b/openmc/deplete/stepresult.py
@@ -154,14 +154,14 @@ class StepResult:
         full_burn_list : list of str
             List of all burnable material IDs
         name_list : list of str, optional
-            Material names corresponding to materials in burn_list
+            Material names corresponding to materials in full_burn_list
 
         """
         self.volume = copy.deepcopy(volume)
         self.index_nuc = {nuc: i for i, nuc in enumerate(nuc_list)}
         self.index_mat = {mat: i for i, mat in enumerate(burn_list)}
         self.mat_to_hdf5_ind = {mat: i for i, mat in enumerate(full_burn_list)}
-        self.mat_to_name = dict(zip(burn_list, name_list)) if name_list is not None else {}
+        self.mat_to_name = dict(zip(full_burn_list, name_list)) if name_list is not None else {}
 
         # Create storage array
         self.data = np.zeros((self.n_mat, self.n_nuc))

From d9b30bbbd51ace80d6a5babf96c056106ae69e82 Mon Sep 17 00:00:00 2001
From: GuySten <62616591+GuySten@users.noreply.github.com>
Date: Thu, 2 Apr 2026 19:59:02 +0300
Subject: [PATCH 2581/2654] Approximate multigroup velocity  (#3766)

Co-authored-by: Adam Nelson <1037107+nelsonag@users.noreply.github.com>
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 docs/source/io_formats/mgxs_library.rst      |  4 ++
 docs/source/methods/cross_sections.rst       | 42 ++++++++++++++
 include/openmc/mgxs_interface.h              |  2 +
 include/openmc/particle.h                    |  2 +
 openmc/mgxs/groups.py                        |  1 +
 src/mgxs.cpp                                 |  2 +
 src/mgxs_interface.cpp                       | 13 +++++
 src/particle.cpp                             | 33 ++++++-----
 tests/unit_tests/test_mg_inverse_velocity.py | 59 ++++++++++++++++++++
 9 files changed, 145 insertions(+), 13 deletions(-)
 create mode 100644 tests/unit_tests/test_mg_inverse_velocity.py

diff --git a/docs/source/io_formats/mgxs_library.rst b/docs/source/io_formats/mgxs_library.rst
index f7f5387a4..8a26311d1 100644
--- a/docs/source/io_formats/mgxs_library.rst
+++ b/docs/source/io_formats/mgxs_library.rst
@@ -133,6 +133,10 @@ Temperature-dependent data, provided for temperature <TTT>K.
              This dataset is optional. This is a 1-D vector if `representation`
              is "isotropic", or a 3-D vector if `representation` is "angle"
              with dimensions of [polar][azimuthal][groups].
+	     When this data is not available, an approximation using the
+	     group energy boundaries is used. For more information see
+	     the particle speed subsection in the multigroup-data section
+	     of the theory manual.
 
 **/<library name>/<TTT>K/scatter_data/**
 
diff --git a/docs/source/methods/cross_sections.rst b/docs/source/methods/cross_sections.rst
index a66abb3ed..764c4c628 100644
--- a/docs/source/methods/cross_sections.rst
+++ b/docs/source/methods/cross_sections.rst
@@ -289,6 +289,48 @@ sections. This allows flexibility for the model to use highly anisotropic
 scattering information in the water while the fuel can be simulated with linear
 or even isotropic scattering.
 
+Particle Speed
+--------------
+
+When using a multigroup representation of cross sections, the particle speed has
+meaning only in an average sense. The particle speed is important when modeling
+dynamic behavior. OpenMC calculates the particle speed using the inverse
+velocity multigroup data if it is available. If such data is not available,
+OpenMC uses an approximate velocity using the group energy bounds in the
+following way:
+
+.. math::
+
+   \frac{1}{v_g} = \int_{E_{\text{min}}^g}^{E_{\text{max}}^g} \frac{1}{v(E)} \frac{\alpha}{E} dE
+
+Where :math:`E_{\text{min}}^g` and :math:`E_{\text{max}}^g` are the group energy
+boundaries for group :math:`g`. :math:`v(E)` is the neutron velocity calculated
+using relativistic kinematics, :math:`\alpha` is a normalization constant for the
+:math:`\frac{1}{E}` spectrum.
+
+This equation is valid when inside the group boundaries the neutron spectrum
+follows a typical :math:`\frac{1}{E}` slowing down spectrum. This assumption is
+widely used when generating fine group neutron cross section data libraries from
+continuous energy data.
+
+The solution to this equation is:
+
+.. math::
+
+   \frac{1}{v_g} = \frac{1}{c \log\left(\frac{E_{\text{max}}^g}{E_{\text{min}}^g}\right)}
+   \left[ 2(\operatorname{arctanh}(k_{\text{max}}^{-1}) - \operatorname{arctanh}(k_{\text{min}}^{-1}))
+   - (k_{\text{max}}-k_{\text{min}}) \right]
+
+where :math:`c` is the speed of light and :math:`k_{\text{max}}`,
+:math:`k_{\text{min}}` are defined by a change of variables:
+
+.. math::
+
+   k = \sqrt{1+\frac{2 m_n c^2}{E}}
+
+where :math:`E` is the particle kinetic energy and :math:`m_n` is the neutron
+rest mass.
+
 .. _logarithmic mapping technique:
    https://mcnp.lanl.gov/pdf_files/TechReport_2014_LANL_LA-UR-14-24530_Brown.pdf
 .. _Hwang: https://doi.org/10.13182/NSE87-A16381
diff --git a/include/openmc/mgxs_interface.h b/include/openmc/mgxs_interface.h
index da074f825..117ac503d 100644
--- a/include/openmc/mgxs_interface.h
+++ b/include/openmc/mgxs_interface.h
@@ -61,6 +61,8 @@ public:
   vector<double> energy_bin_avg_;
   vector<double> rev_energy_bins_;
   vector<vector<double>> nuc_temps_; // all available temperatures
+  vector<double>
+    default_inverse_velocity_; // approximate default inverse-velocity data
 };
 
 namespace data {
diff --git a/include/openmc/particle.h b/include/openmc/particle.h
index 2f6e6196b..e75f3785a 100644
--- a/include/openmc/particle.h
+++ b/include/openmc/particle.h
@@ -39,6 +39,8 @@ public:
 
   double speed() const;
 
+  double mass() const;
+
   //! create a secondary particle
   //
   //! stores the current phase space attributes of the particle in the
diff --git a/openmc/mgxs/groups.py b/openmc/mgxs/groups.py
index 8910c7d42..aea7a6d29 100644
--- a/openmc/mgxs/groups.py
+++ b/openmc/mgxs/groups.py
@@ -78,6 +78,7 @@ class EnergyGroups:
     @group_edges.setter
     def group_edges(self, edges):
         cv.check_type('group edges', edges, Iterable, Real)
+        cv.check_increasing('group edges', edges)
         cv.check_greater_than('number of group edges', len(edges), 1)
         self._group_edges = np.array(edges)
 
diff --git a/src/mgxs.cpp b/src/mgxs.cpp
index a0fe4060d..1dc090ab9 100644
--- a/src/mgxs.cpp
+++ b/src/mgxs.cpp
@@ -510,6 +510,8 @@ double Mgxs::get_xs(MgxsType xstype, int gin, const int* gout, const double* mu,
     break;
   case MgxsType::INVERSE_VELOCITY:
     val = xs_t->inverse_velocity(a, gin);
+    if (!(val > 0))
+      val = data::mg.default_inverse_velocity_[gin];
     break;
   case MgxsType::DECAY_RATE:
     if (dg != nullptr) {
diff --git a/src/mgxs_interface.cpp b/src/mgxs_interface.cpp
index 08c64413a..865c56580 100644
--- a/src/mgxs_interface.cpp
+++ b/src/mgxs_interface.cpp
@@ -237,6 +237,19 @@ void MgxsInterface::read_header(const std::string& path_cross_sections)
                 "library file!");
   }
 
+  // Calculate approximate default inverse velocity data
+  for (int i = 0; i < energy_bins_.size() - 1; ++i) {
+    double e_min = std::max(energy_bins_[i + 1], 1e-5);
+    double e_max = energy_bins_[i];
+    double alpha = 1.0 / (C_LIGHT * std::log(e_max / e_min));
+    double k_max = std::sqrt(1 + 2.0 * MASS_NEUTRON_EV / e_max);
+    double k_min = std::sqrt(1 + 2.0 * MASS_NEUTRON_EV / e_min);
+    double inv_v =
+      alpha * (2.0 * (std::atanh(1.0 / k_max) - std::atanh(1.0 / k_min)) -
+                (k_max - k_min));
+    default_inverse_velocity_.push_back(inv_v);
+  }
+
   // Close MGXS HDF5 file
   file_close(file_id);
 }
diff --git a/src/particle.cpp b/src/particle.cpp
index 11747e0cc..46df63cd1 100644
--- a/src/particle.cpp
+++ b/src/particle.cpp
@@ -48,26 +48,33 @@ double Particle::speed() const
 {
   if (settings::run_CE) {
     // Determine mass in eV/c^2
-    double mass;
-    switch (type().pdg_number()) {
-    case PDG_NEUTRON:
-      mass = MASS_NEUTRON_EV;
-    case PDG_ELECTRON:
-    case PDG_POSITRON:
-      mass = MASS_ELECTRON_EV;
-    default:
-      mass = this->type().mass() * AMU_EV;
-    }
+    double mass = this->mass();
 
     // Equivalent to C * sqrt(1-(m/(m+E))^2) without problem at E<<m:
     return C_LIGHT * std::sqrt(this->E() * (this->E() + 2 * mass)) /
            (this->E() + mass);
   } else {
-    auto& macro_xs = data::mg.macro_xs_[this->material()];
+    auto mat = this->material();
+    if (mat == MATERIAL_VOID)
+      return 1.0 / data::mg.default_inverse_velocity_[this->g()];
+    auto& macro_xs = data::mg.macro_xs_[mat];
     int macro_t = this->mg_xs_cache().t;
     int macro_a = macro_xs.get_angle_index(this->u());
-    return 1.0 / macro_xs.get_xs(MgxsType::INVERSE_VELOCITY, this->g(), nullptr,
-                   nullptr, nullptr, macro_t, macro_a);
+    return 1.0 / macro_xs.get_xs(
+                   MgxsType::INVERSE_VELOCITY, this->g(), macro_t, macro_a);
+  }
+}
+
+double Particle::mass() const
+{
+  switch (type().pdg_number()) {
+  case PDG_NEUTRON:
+    return MASS_NEUTRON_EV;
+  case PDG_ELECTRON:
+  case PDG_POSITRON:
+    return MASS_ELECTRON_EV;
+  default:
+    return this->type().mass() * AMU_EV;
   }
 }
 
diff --git a/tests/unit_tests/test_mg_inverse_velocity.py b/tests/unit_tests/test_mg_inverse_velocity.py
new file mode 100644
index 000000000..b520e48d1
--- /dev/null
+++ b/tests/unit_tests/test_mg_inverse_velocity.py
@@ -0,0 +1,59 @@
+import openmc
+import numpy as np
+import pytest
+
+@pytest.fixture
+def one_group_lib():
+    groups = openmc.mgxs.EnergyGroups([0.0, 20.0e6])
+    xsdata = openmc.XSdata('slab_mat', groups)
+    xsdata.order = 0
+    xsdata.set_total([0.0])               
+    xsdata.set_absorption([0.0])
+    xsdata.set_scatter_matrix([[[0.0]]])
+    
+    mg_library = openmc.MGXSLibrary(groups)
+    mg_library.add_xsdata(xsdata)
+    name = 'mgxs.h5'
+    mg_library.export_to_hdf5(name)
+    yield name
+
+@pytest.fixture
+def slab_model(one_group_lib):
+    model = openmc.Model()
+    mat = openmc.Material(name='slab_material')
+    mat.set_density('macro', 1.0)
+    mat.add_macroscopic('slab_mat')
+
+    model.materials = openmc.Materials([mat])
+    model.materials.cross_sections = one_group_lib
+    
+    x_min = openmc.XPlane(x0=0.0, boundary_type='vacuum')
+    x_max = openmc.XPlane(x0=10.0, boundary_type='vacuum')
+
+    y_min = openmc.YPlane(y0=-10.0, boundary_type='vacuum')
+    y_max = openmc.YPlane(y0=10.0, boundary_type='vacuum')
+    z_min = openmc.ZPlane(z0=-10.0, boundary_type='vacuum')
+    z_max = openmc.ZPlane(z0=19.0, boundary_type='vacuum')
+
+    cell = openmc.Cell(fill=mat, region=+z_min & -x_max & +y_min & -y_max & +z_min & -z_max)
+    model.geometry = openmc.Geometry([cell])
+
+    model.settings = openmc.Settings()
+    model.settings.energy_mode = 'multi-group'
+    model.settings.run_mode = 'fixed source'
+    model.settings.batches = 3
+    model.settings.particles = 10
+
+    source = openmc.IndependentSource()
+    source.space = openmc.stats.Point((5.0, 0.0, 0.0))
+    model.settings.source = source
+    return model
+
+def test_inverse_velocity(run_in_tmpdir, slab_model):
+    tally = openmc.Tally()
+    tally.scores = ['flux','inverse-velocity']
+    slab_model.tallies = [tally]
+    slab_model.run(apply_tally_results=True)
+    inverse_velocity = tally.mean.squeeze()[1]/tally.mean.squeeze()[0]
+
+    assert inverse_velocity == pytest.approx(1.6144e-5, rel=1e-4)

From ca22a5174a56899fe2b88d650526a012a8c72170 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Fri, 3 Apr 2026 00:01:30 +0200
Subject: [PATCH 2582/2654] adding pdf to read the docs (#3893)

---
 .readthedocs.yaml | 3 +++
 1 file changed, 3 insertions(+)

diff --git a/.readthedocs.yaml b/.readthedocs.yaml
index 3578144b2..61301bdb4 100644
--- a/.readthedocs.yaml
+++ b/.readthedocs.yaml
@@ -10,6 +10,9 @@ build:
 sphinx:
   configuration: docs/source/conf.py
 
+formats:
+  - pdf
+
 python:
   install:
     - method: pip

From df985e10b340895298eb77209571f0cf9856307b Mon Sep 17 00:00:00 2001
From: bessemoa <antoine.bessemoulin@polytechnique.edu>
Date: Fri, 3 Apr 2026 00:51:33 +0200
Subject: [PATCH 2583/2654] Add from_bounding_box classmethod to structured
 mesh classes (#3903)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/mesh.py                            | 271 ++++++++++++++--------
 tests/unit_tests/test_mesh_from_domain.py |  14 ++
 2 files changed, 189 insertions(+), 96 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 79982d78a..3c3c0a1ac 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -936,6 +936,87 @@ class StructuredMesh(MeshBase):
                 f"with dimensions {self.dimension}"
             )
 
+    @classmethod
+    def from_domain(
+        cls,
+        domain: HasBoundingBox | BoundingBox,
+        dimension: Sequence[int] | int | None = None,
+        mesh_id: int | None = None,
+        name: str = '',
+        **kwargs
+    ) -> StructuredMesh:
+        """Create a structured mesh from a domain using its bounding box.
+
+        Parameters
+        ----------
+        domain : HasBoundingBox | openmc.BoundingBox
+            Object used as a template for the mesh extents. If ``domain`` has a
+            ``bounding_box`` attribute, that bounding box is used directly.
+        dimension : Iterable of int or int, optional
+            Number of mesh cells. When omitted, the subclass-specific default is
+            used. If provided as a single integer, subclasses that support it
+            interpret it as a target total number of mesh cells.
+        mesh_id : int, optional
+            Unique identifier for the mesh.
+        name : str, optional
+            Name of the mesh.
+        **kwargs
+            Additional keyword arguments forwarded to
+            :meth:`from_bounding_box`.
+
+        Returns
+        -------
+        openmc.StructuredMesh
+            Structured mesh instance.
+        """
+        if isinstance(domain, BoundingBox):
+            bbox = domain
+        elif hasattr(domain, 'bounding_box'):
+            bbox = domain.bounding_box
+        else:
+            raise TypeError("Domain must be a BoundingBox or have a "
+                            "bounding_box property")
+
+        if dimension is None:
+            return cls.from_bounding_box(
+                bbox, mesh_id=mesh_id, name=name, **kwargs)
+
+        return cls.from_bounding_box(
+            bbox, dimension=dimension, mesh_id=mesh_id, name=name, **kwargs)
+
+    @classmethod
+    @abstractmethod
+    def from_bounding_box(
+        cls,
+        bbox: openmc.BoundingBox,
+        dimension: Sequence[int] | int,
+        mesh_id: int | None = None,
+        name: str = '',
+        **kwargs
+    ) -> StructuredMesh:
+        """Create a structured mesh from a bounding box.
+
+        Parameters
+        ----------
+        bbox : openmc.BoundingBox
+            Bounding box used to define the mesh extents.
+        dimension : Iterable of int or int
+            Number of mesh cells. The interpretation and any default value are
+            defined by the concrete mesh type.
+        mesh_id : int, optional
+            Unique identifier for the mesh.
+        name : str, optional
+            Name of the mesh.
+        **kwargs
+            Additional keyword arguments accepted by specific subclasses.
+
+        Returns
+        -------
+        openmc.StructuredMesh
+            Structured mesh instance.
+        """
+        pass
+
 
 class HasBoundingBox(Protocol):
     """Object that has a ``bounding_box`` attribute."""
@@ -1190,62 +1271,47 @@ class RegularMesh(StructuredMesh):
         return mesh
 
     @classmethod
-    def from_domain(
+    def from_bounding_box(
         cls,
-        domain: HasBoundingBox | BoundingBox,
+        bbox: openmc.BoundingBox,
         dimension: Sequence[int] | int = 1000,
         mesh_id: int | None = None,
-        name: str = ''
-    ):
-        """Create RegularMesh from a domain using its bounding box.
+        name: str = '',
+    ) -> RegularMesh:
+        """Create a RegularMesh from a bounding box.
 
         Parameters
         ----------
-        domain : HasBoundingBox | openmc.BoundingBox
-            The object passed in will be used as a template for this mesh. The
-            bounding box of the property of the object passed will be used to
-            set the lower_left and upper_right and of the mesh instance.
-            Alternatively, a :class:`openmc.BoundingBox` can be passed
-            directly.
-        dimension : Iterable of int | int
-            The number of mesh cells in total or number of mesh cells in each
-            direction (x, y, z). If a single integer is provided, the domain
-            will will be divided into that many mesh cells with roughly equal
-            lengths in each direction (cubes).
-        mesh_id : int
-            Unique identifier for the mesh
-        name : str
-            Name of the mesh
+        bbox : openmc.BoundingBox
+            Bounding box used to set the mesh extents.
+        dimension : Iterable of int or int, optional
+            The number of mesh cells in each direction (x, y, z). If a single
+            integer is provided, the total number of cells is distributed
+            across directions to produce cells with roughly equal widths.
+        mesh_id : int, optional
+            Unique identifier for the mesh.
+        name : str, optional
+            Name of the mesh.
 
         Returns
         -------
         openmc.RegularMesh
-            RegularMesh instance
-
+            RegularMesh instance.
         """
-        if isinstance(domain, BoundingBox):
-            bb = domain
-        elif hasattr(domain, 'bounding_box'):
-            bb = domain.bounding_box
-        else:
-            raise TypeError("Domain must be a BoundingBox or have a "
-                            "bounding_box property")
-
         mesh = cls(mesh_id=mesh_id, name=name)
-        mesh.lower_left = bb[0]
-        mesh.upper_right = bb[1]
+        mesh.lower_left = bbox[0]
+        mesh.upper_right = bbox[1]
         if isinstance(dimension, int):
             cv.check_greater_than("dimension", dimension, 1, equality=True)
             # If a single integer is provided, divide the domain into that many
             # mesh cells with roughly equal lengths in each direction
-            ideal_cube_volume = bb.volume / dimension
+            ideal_cube_volume = bbox.volume / dimension
             ideal_cube_size = ideal_cube_volume ** (1 / 3)
             dimension = [
                 max(1, int(round(side / ideal_cube_size)))
-                for side in bb.width
+                for side in bbox.width
             ]
         mesh.dimension = dimension
-
         return mesh
 
     def to_xml_element(self):
@@ -1730,6 +1796,48 @@ class RectilinearMesh(StructuredMesh):
 
         return tuple(indices)
 
+    @classmethod
+    def from_bounding_box(
+        cls,
+        bbox: openmc.BoundingBox,
+        dimension: Sequence[int] | int = 1000,
+        mesh_id: int | None = None,
+        name: str = '',
+    ) -> RectilinearMesh:
+        """Create a RectilinearMesh from a bounding box with uniform grids.
+
+        Parameters
+        ----------
+        bbox : openmc.BoundingBox
+            Bounding box used to set the mesh extents.
+        dimension : Iterable of int or int, optional
+            The number of mesh cells in each direction (x, y, z). If a single
+            integer is provided, the total number of cells is distributed across
+            the three directions proportionally to the side lengths.
+        mesh_id : int, optional
+            Unique identifier for the mesh.
+        name : str, optional
+            Name of the mesh.
+
+        Returns
+        -------
+        openmc.RectilinearMesh
+            RectilinearMesh instance with uniform grids along each axis.
+        """
+        if isinstance(dimension, int):
+            cv.check_greater_than("dimension", dimension, 1, equality=True)
+            ideal_cube_volume = bbox.volume / dimension
+            ideal_cube_size = ideal_cube_volume ** (1 / 3)
+            dimension = [
+                max(1, int(round(side / ideal_cube_size)))
+                for side in bbox.width
+            ]
+        mesh = cls(mesh_id=mesh_id, name=name)
+        mesh.x_grid = np.linspace(bbox[0][0], bbox[1][0], num=dimension[0] + 1)
+        mesh.y_grid = np.linspace(bbox[0][1], bbox[1][1], num=dimension[1] + 1)
+        mesh.z_grid = np.linspace(bbox[0][2], bbox[1][2], num=dimension[2] + 1)
+        return mesh
+
 
 class CylindricalMesh(StructuredMesh):
     """A 3D cylindrical mesh
@@ -1996,34 +2104,31 @@ class CylindricalMesh(StructuredMesh):
         return mesh
 
     @classmethod
-    def from_domain(
+    def from_bounding_box(
         cls,
-        domain: HasBoundingBox | BoundingBox,
+        bbox: openmc.BoundingBox,
         dimension: Sequence[int] = (10, 10, 10),
         mesh_id: int | None = None,
-        phi_grid_bounds: Sequence[float] = (0.0, 2*pi),
         name: str = '',
-        enclose_domain: bool = False
-    ):
-        """Create CylindricalMesh from a domain using its bounding box.
+        phi_grid_bounds: Sequence[float] = (0.0, 2*pi),
+        enclose_domain: bool = False,
+    ) -> CylindricalMesh:
+        """Create CylindricalMesh from a bounding box.
 
         Parameters
         ----------
-        domain : HasBoundingBox | openmc.BoundingBox
-            The object passed in will be used as a template for this mesh. The
-            bounding box of the property of the object passed will be used to
-            set the r_grid, z_grid ranges. Alternatively, a
-            :class:`openmc.BoundingBox` can be passed directly.
+        bbox : openmc.BoundingBox
+            Bounding box used to set the r_grid and z_grid ranges.
         dimension : Iterable of int
             The number of equally spaced mesh cells in each direction (r_grid,
             phi_grid, z_grid)
-        mesh_id : int
+        mesh_id : int, optional
             Unique identifier for the mesh
+        name : str, optional
+            Name of the mesh
         phi_grid_bounds : numpy.ndarray
             Mesh bounds points along the phi-axis in radians. The default value
             is (0, 2π), i.e., the full phi range.
-        name : str
-            Name of the mesh
         enclose_domain : bool
             If True, the mesh will encompass the bounding box of the domain. If
             False, the mesh will be inscribed within the domain's bounding box.
@@ -2034,40 +2139,28 @@ class CylindricalMesh(StructuredMesh):
             CylindricalMesh instance
 
         """
-        if isinstance(domain, BoundingBox):
-            cached_bb = domain
-        elif hasattr(domain, 'bounding_box'):
-            cached_bb = domain.bounding_box
-        else:
-            raise TypeError("Domain must be a BoundingBox or have a "
-                            "bounding_box property")
-
         if enclose_domain:
-            outer_radius = 0.5 * np.linalg.norm(cached_bb.width[:2])
+            outer_radius = 0.5 * np.linalg.norm(bbox.width[:2])
         else:
-            outer_radius = 0.5 * min(cached_bb.width[:2])
+            outer_radius = 0.5 * min(bbox.width[:2])
 
-        r_grid = np.linspace(
-            0,
-            outer_radius,
-            num=dimension[0]+1
-        )
+        r_grid = np.linspace(0, outer_radius, num=dimension[0]+1)
         phi_grid = np.linspace(
             phi_grid_bounds[0],
             phi_grid_bounds[1],
             num=dimension[1]+1
         )
         z_grid = np.linspace(
-            cached_bb[0][2],
-            cached_bb[1][2],
+            bbox[0][2],
+            bbox[1][2],
             num=dimension[2]+1
         )
-        origin = (cached_bb.center[0], cached_bb.center[1], z_grid[0])
+        origin = (bbox.center[0], bbox.center[1], z_grid[0])
 
         # make z-grid relative to the origin
         z_grid -= origin[2]
 
-        mesh = cls(
+        return cls(
             r_grid=r_grid,
             z_grid=z_grid,
             phi_grid=phi_grid,
@@ -2076,8 +2169,6 @@ class CylindricalMesh(StructuredMesh):
             origin=origin
         )
 
-        return mesh
-
     def to_xml_element(self):
         """Return XML representation of the mesh
 
@@ -2385,39 +2476,36 @@ class SphericalMesh(StructuredMesh):
         return mesh
 
     @classmethod
-    def from_domain(
+    def from_bounding_box(
         cls,
-        domain: HasBoundingBox | BoundingBox,
+        bbox: openmc.BoundingBox,
         dimension: Sequence[int] = (10, 10, 10),
         mesh_id: int | None = None,
+        name: str = '',
         phi_grid_bounds: Sequence[float] = (0.0, 2*pi),
         theta_grid_bounds: Sequence[float] = (0.0, pi),
-        name: str = '',
-        enclose_domain: bool = False
-    ):
-        """Create SphericalMesh from a domain using its bounding box.
+        enclose_domain: bool = False,
+    ) -> SphericalMesh:
+        """Create SphericalMesh from a bounding box.
 
         Parameters
         ----------
-        domain : HasBoundingBox | openmc.BoundingBox
-            The object passed in will be used as a template for this mesh. The
-            bounding box of the property of the object passed will be used to
-            set the r_grid, phi_grid, and theta_grid ranges. Alternatively, a
-            :class:`openmc.BoundingBox` can be passed directly.
+        bbox : openmc.BoundingBox
+            Bounding box used to set the r_grid, phi_grid, and theta_grid ranges.
         dimension : Iterable of int
             The number of equally spaced mesh cells in each direction (r_grid,
             phi_grid, theta_grid). Spacing is in angular space (radians) for
             phi and theta, and in absolute space for r.
-        mesh_id : int
+        mesh_id : int, optional
             Unique identifier for the mesh
+        name : str, optional
+            Name of the mesh
         phi_grid_bounds : numpy.ndarray
             Mesh bounds points along the phi-axis in radians. The default value
             is (0, 2π), i.e., the full phi range.
         theta_grid_bounds : numpy.ndarray
             Mesh bounds points along the theta-axis in radians. The default value
             is (0, π), i.e., the full theta range.
-        name : str
-            Name of the mesh
         enclose_domain : bool
             If True, the mesh will encompass the bounding box of the domain. If
             False, the mesh will be inscribed within the domain's bounding box.
@@ -2428,18 +2516,10 @@ class SphericalMesh(StructuredMesh):
             SphericalMesh instance
 
         """
-        if isinstance(domain, BoundingBox):
-            cached_bb = domain
-        elif hasattr(domain, 'bounding_box'):
-            cached_bb = domain.bounding_box
-        else:
-            raise TypeError("Domain must be a BoundingBox or have a "
-                            "bounding_box property")
-
         if enclose_domain:
-            outer_radius = 0.5 * np.linalg.norm(cached_bb.width)
+            outer_radius = 0.5 * np.linalg.norm(bbox.width)
         else:
-            outer_radius = 0.5 * min(cached_bb.width)
+            outer_radius = 0.5 * min(bbox.width)
 
         r_grid = np.linspace(0, outer_radius, num=dimension[0] + 1)
         theta_grid = np.linspace(
@@ -2452,8 +2532,7 @@ class SphericalMesh(StructuredMesh):
             phi_grid_bounds[1],
             num=dimension[2]+1
         )
-        origin = np.array([
-            cached_bb.center[0], cached_bb.center[1], cached_bb.center[2]])
+        origin = np.array([bbox.center[0], bbox.center[1], bbox.center[2]])
 
         return cls(r_grid=r_grid, phi_grid=phi_grid, theta_grid=theta_grid,
                    origin=origin, mesh_id=mesh_id, name=name)
diff --git a/tests/unit_tests/test_mesh_from_domain.py b/tests/unit_tests/test_mesh_from_domain.py
index 2b02921b5..46d22f0d2 100644
--- a/tests/unit_tests/test_mesh_from_domain.py
+++ b/tests/unit_tests/test_mesh_from_domain.py
@@ -27,6 +27,20 @@ def test_reg_mesh_from_bounding_box():
     assert np.array_equal(mesh.upper_right, bb[1])
 
 
+def test_rectilinear_mesh_from_bounding_box():
+    """Tests a RectilinearMesh can be made from a BoundingBox directly."""
+    bb = openmc.BoundingBox([-8, -7, -5], [12, 13, 15])
+
+    mesh = openmc.RectilinearMesh.from_bounding_box(bb, dimension=[2, 4, 5])
+    assert isinstance(mesh, openmc.RectilinearMesh)
+    assert np.array_equal(mesh.dimension, (2, 4, 5))
+    assert np.array_equal(mesh.lower_left, bb[0])
+    assert np.array_equal(mesh.upper_right, bb[1])
+    assert np.array_equal(mesh.x_grid, [-8., 2., 12.])
+    assert np.array_equal(mesh.y_grid, [-7., -2., 3., 8., 13.])
+    assert np.array_equal(mesh.z_grid, [-5., -1., 3., 7., 11., 15.])
+
+
 def test_cylindrical_mesh_from_cell():
     """Tests a CylindricalMesh can be made from a Cell and the specified
     dimensions are propagated through."""

From 9ff50499e133e1b977391dd1ff284b9eccb08958 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Fri, 3 Apr 2026 02:00:02 +0200
Subject: [PATCH 2584/2654] Adding per m3 to material functions (#3912)

Co-authored-by: Jon Shimwell <jon@proximafusion.com>
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/deplete/results.py         |  4 ++--
 openmc/material.py                | 27 ++++++++++++++++-----------
 tests/unit_tests/test_material.py |  6 ++++++
 3 files changed, 24 insertions(+), 13 deletions(-)

diff --git a/openmc/deplete/results.py b/openmc/deplete/results.py
index e1fcb26b6..adb0d3dbc 100644
--- a/openmc/deplete/results.py
+++ b/openmc/deplete/results.py
@@ -113,7 +113,7 @@ class Results(list):
         ----------
         mat : openmc.Material, str
             Material object or material id to evaluate
-        units : {'Bq', 'Bq/g', 'Bq/kg', 'Bq/cm3'}
+        units : {'Bq', 'Bq/g', 'Bq/kg', 'Bq/cm3', 'Bq/m3'}
             Specifies the type of activity to return, options include total
             activity [Bq], specific [Bq/g, Bq/kg] or volumetric activity [Bq/cm3].
         by_nuclide : bool
@@ -231,7 +231,7 @@ class Results(list):
         ----------
         mat : openmc.Material, str
             Material object or material id to evaluate.
-        units : {'W', 'W/g', 'W/kg', 'W/cm3'}
+        units : {'W', 'W/g', 'W/kg', 'W/cm3', 'W/m3'}
             Specifies the units of decay heat to return. Options include total
             heat [W], specific [W/g, W/kg] or volumetric heat [W/cm3].
         by_nuclide : bool
diff --git a/openmc/material.py b/openmc/material.py
index 239bc01f7..2dbe691f5 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -349,7 +349,7 @@ class Material(IDManagerMixin):
         clip_tolerance : float
             Maximum fraction of :math:`\sum_i x_i p_i` for discrete distributions
             that will be discarded.
-        units : {'Bq', 'Bq/g', 'Bq/kg', 'Bq/cm3'}
+        units : {'Bq', 'Bq/g', 'Bq/kg', 'Bq/cm3', 'Bq/m3'}
             Specifies the units on the integral of the distribution.
         volume : float, optional
             Volume of the material. If not passed, defaults to using the
@@ -367,7 +367,7 @@ class Material(IDManagerMixin):
             the total intensity of the photon source in the requested units.
 
         """
-        cv.check_value('units', units, {'Bq', 'Bq/g', 'Bq/kg', 'Bq/cm3'})
+        cv.check_value('units', units, {'Bq', 'Bq/g', 'Bq/kg', 'Bq/cm3', 'Bq/m3'})
 
         if exclude_nuclides is not None and include_nuclides is not None:
             raise ValueError("Cannot specify both exclude_nuclides and include_nuclides")
@@ -378,6 +378,8 @@ class Material(IDManagerMixin):
                 raise ValueError("volume must be specified if units='Bq'")
         elif units == 'Bq/cm3':
             multiplier = 1
+        elif units == 'Bq/m3':
+            multiplier = 1e6
         elif units == 'Bq/g':
             multiplier = 1.0 / self.get_mass_density()
         elif units == 'Bq/kg':
@@ -1383,16 +1385,16 @@ class Material(IDManagerMixin):
 
     def get_activity(self, units: str = 'Bq/cm3', by_nuclide: bool = False,
                      volume: float | None = None) -> dict[str, float] | float:
-        """Returns the activity of the material or of each nuclide within.
+        """Return the activity of the material or each nuclide within.
 
         .. versionadded:: 0.13.1
 
         Parameters
         ----------
-        units : {'Bq', 'Bq/g', 'Bq/kg', 'Bq/cm3', 'Ci', 'Ci/m3'}
+        units : {'Bq', 'Bq/g', 'Bq/kg', 'Bq/cm3', 'Bq/m3', 'Ci', 'Ci/m3'}
             Specifies the type of activity to return, options include total
             activity [Bq,Ci], specific [Bq/g, Bq/kg] or volumetric activity
-            [Bq/cm3,Ci/m3]. Default is volumetric activity [Bq/cm3].
+            [Bq/cm3, Bq/m3, Ci/m3]. Default is volumetric activity [Bq/cm3].
         by_nuclide : bool
             Specifies if the activity should be returned for the material as a
             whole or per nuclide. Default is False.
@@ -1410,7 +1412,7 @@ class Material(IDManagerMixin):
             of the material is returned as a float.
         """
 
-        cv.check_value('units', units, {'Bq', 'Bq/g', 'Bq/kg', 'Bq/cm3', 'Ci', 'Ci/m3'})
+        cv.check_value('units', units, {'Bq', 'Bq/g', 'Bq/kg', 'Bq/cm3', 'Bq/m3', 'Ci', 'Ci/m3'})
         cv.check_type('by_nuclide', by_nuclide, bool)
 
         if volume is None:
@@ -1420,6 +1422,8 @@ class Material(IDManagerMixin):
             multiplier = volume
         elif units == 'Bq/cm3':
             multiplier = 1
+        elif units == 'Bq/m3':
+            multiplier = 1e6
         elif units == 'Bq/g':
             multiplier = 1.0 / self.get_mass_density()
         elif units == 'Bq/kg':
@@ -1438,16 +1442,15 @@ class Material(IDManagerMixin):
 
     def get_decay_heat(self, units: str = 'W', by_nuclide: bool = False,
                        volume: float | None = None) -> dict[str, float] | float:
-        """Returns the decay heat of the material or for each nuclide in the
-        material in units of [W], [W/g], [W/kg] or [W/cm3].
+        """Return the decay heat of the material or each nuclide within.
 
         .. versionadded:: 0.13.3
 
         Parameters
         ----------
-        units : {'W', 'W/g', 'W/kg', 'W/cm3'}
+        units : {'W', 'W/g', 'W/kg', 'W/cm3', 'W/m3'}
             Specifies the units of decay heat to return. Options include total
-            heat [W], specific [W/g, W/kg] or volumetric heat [W/cm3].
+            heat [W], specific [W/g, W/kg] or volumetric heat [W/cm3, W/m3].
             Default is total heat [W].
         by_nuclide : bool
             Specifies if the decay heat should be returned for the material as a
@@ -1466,13 +1469,15 @@ class Material(IDManagerMixin):
             of the material is returned as a float.
         """
 
-        cv.check_value('units', units, {'W', 'W/g', 'W/kg', 'W/cm3'})
+        cv.check_value('units', units, {'W', 'W/g', 'W/kg', 'W/cm3', 'W/m3'})
         cv.check_type('by_nuclide', by_nuclide, bool)
 
         if units == 'W':
             multiplier = volume if volume is not None else self.volume
         elif units == 'W/cm3':
             multiplier = 1
+        elif units == 'W/m3':
+            multiplier = 1e6
         elif units == 'W/g':
             multiplier = 1.0 / self.get_mass_density()
         elif units == 'W/kg':
diff --git a/tests/unit_tests/test_material.py b/tests/unit_tests/test_material.py
index 58cd4d563..911b8867f 100644
--- a/tests/unit_tests/test_material.py
+++ b/tests/unit_tests/test_material.py
@@ -594,6 +594,8 @@ def test_get_activity():
     assert pytest.approx(m4.get_activity(units='Bq/g', by_nuclide=True)["H3"]) == 355978108155965.94  # [Bq/g]
     assert pytest.approx(m4.get_activity(units='Bq/cm3')) == 355978108155965.94*3/2 # [Bq/cc]
     assert pytest.approx(m4.get_activity(units='Bq/cm3', by_nuclide=True)["H3"]) == 355978108155965.94*3/2 # [Bq/cc]
+    assert pytest.approx(m4.get_activity(units='Bq/m3')) == 355978108155965.94*3/2*1e6 # [Bq/m3]
+    assert pytest.approx(m4.get_activity(units='Bq/m3', by_nuclide=True)["H3"]) == 355978108155965.94*3/2*1e6 # [Bq/m3]
     # volume is required to calculate total activity
     m4.volume = 10.
     assert pytest.approx(m4.get_activity(units='Bq')) == 355978108155965.94*3/2*10 # [Bq]
@@ -650,6 +652,8 @@ def test_get_decay_heat():
     assert pytest.approx(m4.get_decay_heat(units='W/g', by_nuclide=True)["I135"]) == 40175.15720273193 # [W/g]
     assert pytest.approx(m4.get_decay_heat(units='W/cm3')) == 40175.15720273193*3/2 # [W/cc]
     assert pytest.approx(m4.get_decay_heat(units='W/cm3', by_nuclide=True)["I135"]) == 40175.15720273193*3/2 #[W/cc]
+    assert pytest.approx(m4.get_decay_heat(units='W/m3')) == 40175.15720273193*3/2*1e6 # [W/m3]
+    assert pytest.approx(m4.get_decay_heat(units='W/m3', by_nuclide=True)["I135"]) == 40175.15720273193*3/2*1e6 # [W/m3]
     # volume is required to calculate total decay heat
     m4.volume = 10.
     assert pytest.approx(m4.get_decay_heat(units='W')) == 40175.15720273193*3/2*10 # [W]
@@ -680,6 +684,8 @@ def test_decay_photon_energy():
     src_per_bqg = m.get_decay_photon_energy(units='Bq/g')
     src_per_bqkg = m.get_decay_photon_energy(units='Bq/kg')
     assert pytest.approx(src_per_bqg.integral()) == src_per_bqkg.integral() / 1000.
+    src_per_bqm3 = m.get_decay_photon_energy(units='Bq/m3')
+    assert pytest.approx(src_per_bqm3.integral()) == src_per_cm3.integral() * 1e6
 
     # If we add Xe135 (which has a tabular distribution), the photon source
     # should be a mixture distribution

From b215f132180e85791334bcf10dcfa4d5af3e08b1 Mon Sep 17 00:00:00 2001
From: John Tramm <john.tramm@gmail.com>
Date: Fri, 3 Apr 2026 16:18:19 -0500
Subject: [PATCH 2585/2654] RAG search tool for agents (#3861)

Co-authored-by: John Tramm <jtramm@gmail.com>
Co-authored-by: Claude Opus 4.6 <noreply@anthropic.com>
---
 .claude/tools/openmc_mcp_server.py     | 250 +++++++++++++++++++++++++
 .claude/tools/rag/chunker.py           | 105 +++++++++++
 .claude/tools/rag/embeddings.py        | 120 ++++++++++++
 .claude/tools/rag/indexer.py           | 136 ++++++++++++++
 .claude/tools/rag/openmc_search.py     | 202 ++++++++++++++++++++
 .claude/tools/requirements.txt         |   8 +
 .claude/tools/start_server.sh          |  34 ++++
 .gitignore                             |   3 +
 .mcp.json                              |   9 +
 AGENTS.md                              |  50 +++++
 CLAUDE.md                              |  14 ++
 docs/source/devguide/agentic-tools.rst | 104 ++++++++++
 docs/source/devguide/index.rst         |   1 +
 13 files changed, 1036 insertions(+)
 create mode 100644 .claude/tools/openmc_mcp_server.py
 create mode 100644 .claude/tools/rag/chunker.py
 create mode 100644 .claude/tools/rag/embeddings.py
 create mode 100644 .claude/tools/rag/indexer.py
 create mode 100644 .claude/tools/rag/openmc_search.py
 create mode 100644 .claude/tools/requirements.txt
 create mode 100755 .claude/tools/start_server.sh
 create mode 100644 .mcp.json
 create mode 100644 CLAUDE.md
 create mode 100644 docs/source/devguide/agentic-tools.rst

diff --git a/.claude/tools/openmc_mcp_server.py b/.claude/tools/openmc_mcp_server.py
new file mode 100644
index 000000000..37917abc1
--- /dev/null
+++ b/.claude/tools/openmc_mcp_server.py
@@ -0,0 +1,250 @@
+#!/usr/bin/env python3
+"""MCP server that exposes OpenMC's RAG semantic search to AI coding agents.
+
+This is the entry point for the MCP (Model Context Protocol) server registered
+in .mcp.json at the repo root. When an MCP-capable agent (e.g. Claude Code)
+opens a session in this repository, it launches this server as a subprocess
+(via start_server.sh) and the tools defined here appear in the agent's tool
+list automatically.
+
+The server is long-lived — it stays running for the duration of the agent
+session. This matters for session state: the first RAG search call returns
+an index status message instead of results, prompting the agent to ask the
+user whether to rebuild the index. That first-call flag resets each session.
+
+Tools exposed:
+  openmc_rag_search  — semantic search across the codebase and docs
+  openmc_rag_rebuild — rebuild the RAG vector index
+
+The actual search/indexing logic lives in the rag/ subdirectory (openmc_search.py,
+indexer.py, chunker.py, embeddings.py). This file is just the MCP interface
+layer and session state management.
+"""
+
+from mcp.server.fastmcp import FastMCP
+import json
+import logging
+import subprocess
+import sys
+from datetime import datetime
+from pathlib import Path
+
+# MCP communicates over stdin/stdout with JSON-RPC framing. Several libraries
+# (httpx, huggingface_hub, sentence_transformers) emit log messages and
+# progress bars to stderr by default. While stderr isn't part of the MCP
+# transport, noisy output there can confuse agent tooling, so we silence it.
+logging.getLogger("httpx").setLevel(logging.WARNING)
+logging.getLogger("huggingface_hub").setLevel(logging.ERROR)
+logging.getLogger("sentence_transformers").setLevel(logging.WARNING)
+
+# Path constants. This file lives at .claude/tools/openmc_mcp_server.py,
+# so parents[2] is the OpenMC repo root.
+OPENMC_ROOT = Path(__file__).resolve().parents[2]
+CACHE_DIR = OPENMC_ROOT / ".claude" / "cache"
+INDEX_DIR = CACHE_DIR / "rag_index"
+METADATA_FILE = INDEX_DIR / "metadata.json"
+
+# The RAG modules (openmc_search, indexer, etc.) live in .claude/tools/rag/.
+# We add that directory to sys.path so we can import them directly.
+TOOLS_DIR = Path(__file__).resolve().parent
+sys.path.insert(0, str(TOOLS_DIR / "rag"))
+
+mcp = FastMCP("openmc-code-tools")
+
+# First-call flag: the first openmc_rag_search call of each session returns
+# index status info instead of search results, so the agent can ask the user
+# whether to rebuild. This resets when the server process restarts (i.e. each
+# new agent session).
+_rag_first_call = True
+
+
+# ---------------------------------------------------------------------------
+# Helpers
+# ---------------------------------------------------------------------------
+
+def _get_current_branch():
+    """Get the current git branch name."""
+    try:
+        result = subprocess.run(
+            ["git", "rev-parse", "--abbrev-ref", "HEAD"],
+            capture_output=True, text=True, cwd=str(OPENMC_ROOT),
+        )
+        if result.returncode != 0 or not result.stdout.strip():
+            return "unknown"
+        return result.stdout.strip()
+    except Exception:
+        return "unknown"
+
+
+def _get_index_metadata():
+    """Read index build metadata, or None if unavailable."""
+    if not METADATA_FILE.exists():
+        return None
+    try:
+        return json.loads(METADATA_FILE.read_text())
+    except Exception:
+        return None
+
+
+def _save_index_metadata():
+    """Save index build metadata alongside the index."""
+    metadata = {
+        "built_at": datetime.now().strftime("%Y-%m-%d %H:%M"),
+        "branch": _get_current_branch(),
+    }
+    METADATA_FILE.write_text(json.dumps(metadata, indent=2))
+
+
+def _check_index_first_call():
+    """On the first RAG call of the session, return a status message for the
+    agent to relay to the user.  Returns None if no prompt is needed (should
+    not happen — we always prompt on first call)."""
+    current_branch = _get_current_branch()
+
+    if not INDEX_DIR.exists():
+        return (
+            "No RAG index found. Building one takes ~5 minutes but greatly "
+            "improves code navigation by enabling semantic search across the "
+            "entire OpenMC codebase (C++, Python, and docs).\n\n"
+            "IMPORTANT: Use the AskUserQuestion tool to ask the user whether "
+            "to build the index now (you would then call openmc_rag_rebuild) "
+            "or proceed without it."
+        )
+
+    meta = _get_index_metadata()
+    if meta:
+        built_at = meta.get("built_at", "unknown time")
+        built_branch = meta.get("branch", "unknown")
+        return (
+            f"Existing RAG index found — built at {built_at} on branch "
+            f"'{built_branch}'. Current branch is '{current_branch}'.\n\n"
+            f"REQUIRED: You must use the AskUserQuestion tool now to ask the "
+            f"user whether to rebuild the index (you would then call "
+            f"openmc_rag_rebuild) or use the existing one. Do not skip this "
+            f"step — the user may have uncommitted changes. Do not decide "
+            f"on their behalf."
+        )
+
+    return (
+        f"RAG index found but has no build metadata. "
+        f"Current branch is '{current_branch}'.\n\n"
+        f"REQUIRED: You must use the AskUserQuestion tool now to ask the "
+        f"user whether to rebuild the index (you would then call "
+        f"openmc_rag_rebuild) or use the existing one. Do not skip this "
+        f"step. Do not decide on their behalf."
+    )
+
+
+# ---------------------------------------------------------------------------
+# Tools
+# ---------------------------------------------------------------------------
+
+@mcp.tool()
+def openmc_rag_search(
+    query: str = "",
+    related_file: str = "",
+    scope: str = "code",
+    top_k: int = 10,
+) -> str:
+    """Semantic search across the OpenMC codebase and documentation.
+
+    Finds code by meaning, not just text match — surfaces related code across
+    subsystems even when naming differs.  Use for discovery and exploration
+    before reaching for grep.  Covers C++, Python, and RST docs.
+
+    Args:
+        query: Search query (e.g. "particle weight adjustment variance reduction")
+        related_file: Instead of a text query, find code related to this file
+        scope: "code" (default), "docs", or "all"
+        top_k: Number of results to return (default 10)
+    """
+    global _rag_first_call
+
+    # First call of the session — prompt the agent to check with the user
+    if _rag_first_call:
+        _rag_first_call = False
+        status = _check_index_first_call()
+        if status:
+            return status
+
+    # No index available
+    if not INDEX_DIR.exists():
+        return (
+            "No RAG index available. Call openmc_rag_rebuild() to build one "
+            "(takes ~5 minutes)."
+        )
+
+    if not query and not related_file:
+        return "Error: provide either 'query' or 'related_file'."
+
+    if query and related_file:
+        return "Error: provide 'query' or 'related_file', not both."
+
+    if scope not in ("code", "docs", "all"):
+        return f"Error: scope must be 'code', 'docs', or 'all' (got '{scope}')."
+
+    if top_k < 1:
+        return f"Error: top_k must be at least 1 (got {top_k})."
+
+    try:
+        from openmc_search import (
+            get_db_and_embedder, search_table, format_results, search_related,
+        )
+
+        db, embedder = get_db_and_embedder()
+
+        if related_file:
+            results = search_related(db, embedder, related_file, top_k)
+            return format_results(results, f"Code related to {related_file}")
+        elif scope == "all":
+            code_results = search_table(db, embedder, "code", query, top_k)
+            doc_results = search_table(db, embedder, "docs", query, top_k)
+            return (format_results(code_results, "Code") + "\n"
+                    + format_results(doc_results, "Documentation"))
+        elif scope == "docs":
+            results = search_table(db, embedder, "docs", query, top_k)
+            return format_results(results, "Documentation")
+        else:
+            results = search_table(db, embedder, "code", query, top_k)
+            return format_results(results, "Code")
+    except Exception as e:
+        return f"Error during search: {e}"
+
+
+@mcp.tool()
+def openmc_rag_rebuild() -> str:
+    """Rebuild the RAG semantic search index from the current codebase.
+
+    Chunks all C++, Python, and RST files, embeds them with a local
+    sentence-transformers model, and stores in a LanceDB vector index.
+    Takes ~5 minutes on 10 CPU cores.  Call this after pulling new code
+    or switching branches.
+    """
+    global _rag_first_call
+    _rag_first_call = False  # no need to prompt after an explicit rebuild
+
+    try:
+        import io
+        from indexer import build_index
+
+        old_stdout = sys.stdout
+        sys.stdout = captured = io.StringIO()
+        try:
+            build_index()
+        finally:
+            sys.stdout = old_stdout
+
+        _save_index_metadata()
+
+        branch = _get_current_branch()
+        build_output = captured.getvalue()
+        return (
+            f"Index rebuilt successfully on branch '{branch}'.\n\n"
+            f"{build_output}"
+        )
+    except Exception as e:
+        return f"Error rebuilding index: {e}"
+
+
+if __name__ == "__main__":
+    mcp.run()
diff --git a/.claude/tools/rag/chunker.py b/.claude/tools/rag/chunker.py
new file mode 100644
index 000000000..b28ddb0f8
--- /dev/null
+++ b/.claude/tools/rag/chunker.py
@@ -0,0 +1,105 @@
+"""Split source files into overlapping text chunks for vector embedding.
+
+The indexer (indexer.py) calls chunk_file() on every C++, Python, and RST file
+in the repo. Each file is split into fixed-size windows of ~1000 characters
+with 25% overlap (stride of 750 chars). This means every line of code appears
+in at least one chunk, and most lines appear in two — so there's no "dead zone"
+where a line falls between chunks and becomes unsearchable.
+
+The window size is tuned to the MiniLM embedding model's 256-token context.
+Code averages ~4 characters per token, so 1000 chars ≈ 250 tokens — just
+under the model's limit. Chunks are snapped to line boundaries to avoid
+splitting mid-line.
+
+Each chunk is returned as a dict with the text, file path, line range, and
+file type (cpp/py/doc). These dicts are later enriched with embedding vectors
+by the indexer and stored in LanceDB.
+"""
+
+from pathlib import Path
+
+# ~256 tokens for MiniLM. 1 token ≈ 4 chars for code.
+WINDOW_CHARS = 1000
+# 25% overlap — most lines appear in at least 2 chunks
+STRIDE_CHARS = 750
+MIN_CHUNK_CHARS = 50
+
+SUPPORTED_EXTENSIONS = {".cpp", ".h", ".py", ".rst"}
+
+
+def chunk_file(filepath, openmc_root):
+    """Chunk a single file into overlapping fixed-size windows."""
+    filepath = Path(filepath)
+    if filepath.suffix not in SUPPORTED_EXTENSIONS:
+        return []
+
+    rel = str(filepath.relative_to(openmc_root))
+    try:
+        content = filepath.read_text(errors="replace")
+    except Exception:
+        return []
+
+    if len(content) < MIN_CHUNK_CHARS:
+        return []
+
+    kind = _file_kind(filepath)
+
+    # Build a char-offset → line-number map
+    line_starts = []
+    offset = 0
+    for line in content.split("\n"):
+        line_starts.append(offset)
+        offset += len(line) + 1  # +1 for newline
+
+    chunks = []
+    start = 0
+    while start < len(content):
+        end = min(start + WINDOW_CHARS, len(content))
+
+        # Snap end to a line boundary to avoid splitting mid-line
+        if end < len(content):
+            newline_pos = content.rfind("\n", start, end)
+            if newline_pos > start:
+                end = newline_pos + 1
+
+        text = content[start:end].strip()
+        if len(text) >= MIN_CHUNK_CHARS:
+            start_line = _offset_to_line(line_starts, start)
+            end_line = _offset_to_line(line_starts, end - 1)
+            chunks.append({
+                "text": text,
+                "filepath": rel,
+                "kind": kind,
+                "symbol": "",
+                "start_line": start_line,
+                "end_line": end_line,
+            })
+
+        start += STRIDE_CHARS
+
+    return chunks
+
+
+def _file_kind(filepath):
+    """Map file extension to a kind label."""
+    ext = filepath.suffix
+    if ext in (".cpp", ".h"):
+        return "cpp"
+    elif ext == ".py":
+        return "py"
+    elif ext == ".rst":
+        return "doc"
+    return "other"
+
+
+def _offset_to_line(line_starts, offset):
+    """Convert a character offset to a 1-based line number."""
+    # Binary search for the line containing this offset
+    lo, hi = 0, len(line_starts) - 1
+    while lo < hi:
+        mid = (lo + hi + 1) // 2
+        if line_starts[mid] <= offset:
+            lo = mid
+        else:
+            hi = mid - 1
+    return lo + 1  # 1-based
diff --git a/.claude/tools/rag/embeddings.py b/.claude/tools/rag/embeddings.py
new file mode 100644
index 000000000..1fe85b50d
--- /dev/null
+++ b/.claude/tools/rag/embeddings.py
@@ -0,0 +1,120 @@
+"""Thin wrapper around sentence-transformers for embedding text into vectors.
+
+Uses the all-MiniLM-L6-v2 model — a small (22M param, 384-dim) model that
+runs on CPU with no GPU or API key required.
+
+Network behavior and privacy
+~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+No user code, queries, or file contents are EVER sent to HuggingFace or any
+external service. All embedding computation happens locally. The only network
+activity is the one-time model download on first use:
+
+  First run (model not yet cached, ~80MB download):
+    - Downloads model weight files from huggingface.co. This is a standard
+      HTTP file download, similar to pip installing a package.
+    - The only metadata sent in these requests is an HTTP user-agent header
+      containing library version numbers (e.g. "hf_hub/1.6.0;
+      python/3.12.3; torch/2.10.0"). No filenames, file contents, queries,
+      or any user-identifiable information is sent.
+    - The huggingface_hub library has an optional feature where it can report
+      anonymous library usage statistics (just version numbers, not user
+      data) back to HuggingFace. We disable this by setting
+      HF_HUB_DISABLE_TELEMETRY=1.
+
+  Subsequent runs (model already cached):
+    - We set HF_HUB_OFFLINE=1 automatically (see _set_offline_if_cached()
+      below), which prevents ALL network calls. The model loads entirely
+      from the local cache at ~/.cache/huggingface/hub/. Zero bytes leave
+      the machine.
+
+How the model is downloaded
+~~~~~~~~~~~~~~~~~~~~~~~~~~~
+The SentenceTransformer() constructor (called in __init__ below) handles
+the download automatically on first use. It calls into the huggingface_hub
+library, which downloads the model files from:
+
+    https://huggingface.co/sentence-transformers/all-MiniLM-L6-v2
+
+The files are saved to ~/.cache/huggingface/hub/ and reused on subsequent
+runs. We pass token=False to ensure no authentication token is sent.
+
+This module is imported by both the MCP server (for search queries) and the
+indexer (for bulk embedding of code chunks). The bulk embed() call shows a
+progress bar; the single-query embed_query() does not.
+
+The env vars below must be set before importing transformers or
+sentence_transformers. They suppress warnings and progress bars that these
+libraries emit by default. Stray stderr output would interfere with the MCP
+server's JSON-RPC transport.
+"""
+
+import os
+from pathlib import Path
+
+MODEL_NAME = "all-MiniLM-L6-v2"
+
+# These env vars control logging behavior in the HuggingFace libraries.
+# They must be set before the libraries are imported.
+os.environ.setdefault("TRANSFORMERS_VERBOSITY", "error")   # suppress warnings
+os.environ.setdefault("HF_HUB_VERBOSITY", "error")        # suppress warnings
+os.environ.setdefault("HF_HUB_DISABLE_PROGRESS_BARS", "1")
+os.environ.setdefault("TOKENIZERS_PARALLELISM", "false")   # suppress threading warning
+# Disable anonymous library usage statistics (version numbers only, not user
+# data — but we disable it anyway as a matter of policy).
+os.environ.setdefault("HF_HUB_DISABLE_TELEMETRY", "1")
+
+
+def _set_offline_if_cached():
+    """If the model has already been downloaded, tell huggingface_hub to
+    skip all network calls by setting HF_HUB_OFFLINE=1.
+
+    Without this, huggingface_hub makes an HTTP request to huggingface.co
+    on every load to check if the cached model is still up to date — even
+    though the model never changes. Setting HF_HUB_OFFLINE=1 prevents this.
+
+    This must run before sentence_transformers is imported, because the
+    library reads the env var at import time.
+    """
+    # HuggingFace caches downloaded models under ~/.cache/huggingface/hub/
+    # in directories named like "models--sentence-transformers--all-MiniLM-L6-v2".
+    # The HF_HOME env var can override the base cache location.
+    hf_home = os.environ.get("HF_HOME")
+    if hf_home:
+        cache_dir = Path(hf_home) / "hub"
+    else:
+        cache_dir = Path.home() / ".cache" / "huggingface" / "hub"
+
+    model_dir = cache_dir / f"models--sentence-transformers--{MODEL_NAME}"
+    if model_dir.exists():
+        os.environ.setdefault("HF_HUB_OFFLINE", "1")
+
+
+_set_offline_if_cached()
+
+# This import must come after the env vars above are set, because the
+# transformers library reads them at import time.
+import transformers
+transformers.logging.disable_progress_bar()
+
+
+class EmbeddingProvider:
+    """Sentence-transformers embedder using all-MiniLM-L6-v2."""
+
+    def __init__(self, model_name: str = MODEL_NAME):
+        from sentence_transformers import SentenceTransformer
+
+        # This constructor loads the model from the local cache. If the model
+        # has not been downloaded yet, it downloads it from huggingface.co
+        # (~80MB, one-time). token=False ensures no auth token is sent.
+        self.model = SentenceTransformer(model_name, token=False)
+        self.dim = self.model.get_sentence_embedding_dimension()
+
+    def embed(self, texts: list[str]) -> list[list[float]]:
+        """Embed a list of texts into vectors."""
+        embeddings = self.model.encode(texts, show_progress_bar=True,
+                                       batch_size=64)
+        return embeddings.tolist()
+
+    def embed_query(self, text: str) -> list[float]:
+        """Embed a single query text."""
+        return self.model.encode([text])[0].tolist()
diff --git a/.claude/tools/rag/indexer.py b/.claude/tools/rag/indexer.py
new file mode 100644
index 000000000..34613092b
--- /dev/null
+++ b/.claude/tools/rag/indexer.py
@@ -0,0 +1,136 @@
+#!/usr/bin/env python3
+"""Build the RAG vector index for the OpenMC codebase.
+
+This is the index-building half of the RAG pipeline. All operations are local
+once the embedding model has been downloaded and cached (see embeddings.py for
+details on model download, caching, and network behavior). It walks the repo,
+chunks every
+C++/Python/RST file (via chunker.py), embeds all chunks into 384-dim vectors
+(via embeddings.py), and stores them in a local LanceDB database on disk. The
+result is a .claude/cache/rag_index/ directory containing two tables — "code"
+and "docs" — that openmc_search.py queries at search time.
+
+Building the full index takes ~5 minutes on a 10-core machine. The bottleneck
+is the embedding step (running all chunks through the MiniLM model on CPU).
+
+Can be run standalone:  python indexer.py
+Or called programmatically:  from indexer import build_index; build_index()
+The MCP server (openmc_mcp_server.py) uses the latter when the agent calls
+openmc_rag_rebuild.
+"""
+
+import lancedb
+import sys
+import time
+from pathlib import Path
+
+# This file lives at .claude/tools/rag/indexer.py. The sys.path insert lets
+# us import sibling modules (embeddings, chunker) when run as a standalone
+# script. When imported from the MCP server, the server has already done this.
+TOOLS_DIR = Path(__file__).resolve().parent.parent
+sys.path.insert(0, str(TOOLS_DIR / "rag"))
+
+from embeddings import EmbeddingProvider
+from chunker import chunk_file
+
+
+OPENMC_ROOT = Path(__file__).resolve().parents[3]
+CACHE_DIR = OPENMC_ROOT / ".claude" / "cache"
+INDEX_DIR = CACHE_DIR / "rag_index"
+
+CODE_PATTERNS = [
+    "src/**/*.cpp",
+    "include/openmc/**/*.h",
+    "openmc/**/*.py",
+    "tests/**/*.py",
+    "examples/**/*.py",
+]
+
+DOC_PATTERNS = [
+    "docs/**/*.rst",
+]
+
+
+def collect_chunks(patterns, openmc_root):
+    """Collect all chunks from files matching the given patterns."""
+    chunks = []
+    for pattern in patterns:
+        for filepath in sorted(openmc_root.glob(pattern)):
+            if "__pycache__" in str(filepath):
+                continue
+            file_chunks = chunk_file(filepath, openmc_root)
+            chunks.extend(file_chunks)
+    return chunks
+
+
+def build_index():
+    """Build or rebuild the complete vector index."""
+    start = time.time()
+
+    # Collect all chunks
+    print("Collecting code chunks...")
+    code_chunks = collect_chunks(CODE_PATTERNS, OPENMC_ROOT)
+    print(f"  {len(code_chunks)} code chunks")
+
+    print("Collecting doc chunks...")
+    doc_chunks = collect_chunks(DOC_PATTERNS, OPENMC_ROOT)
+    print(f"  {len(doc_chunks)} doc chunks")
+
+    all_chunks = code_chunks + doc_chunks
+    if not all_chunks:
+        print("ERROR: No chunks collected!", file=sys.stderr)
+        sys.exit(1)
+
+    # Create embeddings
+    all_texts = [c["text"] for c in all_chunks]
+    print("Creating embedding provider...")
+    embedder = EmbeddingProvider()
+    print(f"  dim={embedder.dim}")
+
+    print("Embedding chunks...")
+    all_embeddings = embedder.embed(all_texts)
+
+    # Build LanceDB tables
+    INDEX_DIR.mkdir(parents=True, exist_ok=True)
+    db = lancedb.connect(str(INDEX_DIR))
+
+    # Separate code vs doc records by index (code_chunks come first in all_chunks)
+    n_code = len(code_chunks)
+    code_records = []
+    doc_records = []
+    for i, (chunk, emb) in enumerate(zip(all_chunks, all_embeddings)):
+        record = {
+            "text": chunk["text"],
+            "filepath": chunk["filepath"],
+            "kind": chunk["kind"],
+            "symbol": chunk.get("symbol", ""),
+            "start_line": chunk.get("start_line", 0),
+            "end_line": chunk.get("end_line", 0),
+            "vector": emb,
+        }
+        if i < n_code:
+            code_records.append(record)
+        else:
+            doc_records.append(record)
+
+    # Create tables (drop existing)
+    result = db.table_names() if hasattr(db, "table_names") else db.list_tables()
+    existing = result.tables if hasattr(result, "tables") else list(result)
+    for table_name in ("code", "docs"):
+        if table_name in existing:
+            db.drop_table(table_name)
+
+    if code_records:
+        db.create_table("code", code_records)
+        print(f"  Created 'code' table: {len(code_records)} rows")
+
+    if doc_records:
+        db.create_table("docs", doc_records)
+        print(f"  Created 'docs' table: {len(doc_records)} rows")
+
+    elapsed = time.time() - start
+    print(f"Done in {elapsed:.1f}s")
+
+
+if __name__ == "__main__":
+    build_index()
diff --git a/.claude/tools/rag/openmc_search.py b/.claude/tools/rag/openmc_search.py
new file mode 100644
index 000000000..4125ee966
--- /dev/null
+++ b/.claude/tools/rag/openmc_search.py
@@ -0,0 +1,202 @@
+#!/usr/bin/env python3
+"""Query the RAG vector index to find semantically related code and docs.
+
+This is the query-time half of the RAG pipeline (the counterpart to indexer.py,
+which builds the index). All operations are local — no network calls are made
+once the embedding model has been downloaded (see embeddings.py for details on
+model download and caching). Given a natural-language query, it embeds the query
+with the same MiniLM model
+used at index time, then finds the closest chunks in the local LanceDB vector
+database by cosine similarity.
+
+The core functions (get_db_and_embedder, search_table, format_results,
+search_related) are imported by the MCP server for tool calls. The script
+can also be run standalone from the command line.
+
+The "related file" mode works differently from a text query: it reads the
+target file's chunks from the index, combines them into a synthetic query
+vector, and searches for the nearest chunks from *other* files. This surfaces
+files that are semantically similar to the target file.
+
+Usage:
+    openmc_search.py "query"                    # Search code (default)
+    openmc_search.py "query" --docs             # Search documentation
+    openmc_search.py "query" --all              # Search both code and docs
+    openmc_search.py --related src/particle.cpp # Find related code
+    openmc_search.py "query" --top-k 20         # Return more results
+"""
+
+import argparse
+import sys
+from pathlib import Path
+
+# Same sys.path setup as indexer.py — needed for standalone CLI use.
+TOOLS_DIR = Path(__file__).resolve().parent.parent
+sys.path.insert(0, str(TOOLS_DIR / "rag"))
+
+OPENMC_ROOT = Path(__file__).resolve().parents[3]
+CACHE_DIR = OPENMC_ROOT / ".claude" / "cache"
+INDEX_DIR = CACHE_DIR / "rag_index"
+
+
+def get_db_and_embedder():
+    """Load the LanceDB database and embedding provider."""
+    import lancedb
+    from embeddings import EmbeddingProvider
+
+    if not INDEX_DIR.exists():
+        raise FileNotFoundError(
+            "No RAG index found. Call openmc_rag_rebuild() to build one."
+        )
+
+    db = lancedb.connect(str(INDEX_DIR))
+
+    embedder = EmbeddingProvider()
+    return db, embedder
+
+
+def _table_names(db):
+    """Return table names as a list, compatible with multiple LanceDB versions."""
+    result = db.table_names() if hasattr(db, "table_names") else db.list_tables()
+    return result.tables if hasattr(result, "tables") else list(result)
+
+
+def search_table(db, embedder, table_name, query, top_k):
+    """Search a LanceDB table with a text query."""
+    if table_name not in _table_names(db):
+        print(f"Table '{table_name}' not found in index.", file=sys.stderr)
+        return []
+
+    table = db.open_table(table_name)
+    query_vec = embedder.embed_query(query)
+    results = table.search(query_vec).limit(top_k).to_list()
+    return results
+
+
+def format_results(results, label=""):
+    """Format search results for display."""
+    if not results:
+        return "No results found.\n"
+
+    output = []
+    if label:
+        output.append(f"=== {label} ===\n")
+
+    for i, r in enumerate(results, 1):
+        filepath = r["filepath"]
+        start = r["start_line"]
+        end = r["end_line"]
+        kind = r["kind"]
+        dist = r.get("_distance", 0)
+
+        header = f"[{i}] {filepath}:{start}-{end} ({kind}, dist={dist:.3f})"
+        output.append(header)
+
+        # Show text preview (first 500 chars)
+        text = r["text"][:500]
+        if len(r["text"]) > 500:
+            text += "\n  ..."
+        # Indent the text
+        for line in text.split("\n"):
+            output.append(f"  {line}")
+        output.append("")
+
+    return "\n".join(output)
+
+
+def search_related(db, embedder, filepath, top_k):
+    """Find code related to a given file."""
+    if "code" not in _table_names(db):
+        print("No 'code' table in index.", file=sys.stderr)
+        return []
+
+    table = db.open_table("code")
+
+    # Normalize filepath
+    fp = filepath
+    if Path(filepath).is_absolute():
+        try:
+            fp = str(Path(filepath).relative_to(OPENMC_ROOT))
+        except ValueError:
+            pass
+
+    # Get chunks from target file
+    try:
+        safe_fp = fp.replace("'", "''")
+        target_chunks = table.search().where(
+            f"filepath = '{safe_fp}'"
+        ).limit(50).to_list()
+    except Exception:
+        # LanceDB where clause might not work in all versions
+        # Fall back to fetching all and filtering
+        all_data = table.to_pandas()
+        target_rows = all_data[all_data["filepath"] == fp]
+        if target_rows.empty:
+            print(f"No chunks found for '{fp}'", file=sys.stderr)
+            return []
+        target_chunks = target_rows.head(50).to_dict("records")
+
+    if not target_chunks:
+        print(f"No chunks found for '{fp}'", file=sys.stderr)
+        return []
+
+    # Combine top chunks as the query
+    combined_text = " ".join(c["text"][:200] for c in target_chunks[:5])
+    query_vec = embedder.embed_query(combined_text)
+
+    # Search excluding the source file
+    results = table.search(query_vec).limit(top_k + 10).to_list()
+    # Filter out same file
+    results = [r for r in results if r["filepath"] != fp][:top_k]
+    return results
+
+
+def main():
+    parser = argparse.ArgumentParser(
+        description="Semantic search across OpenMC codebase and docs",
+        formatter_class=argparse.RawDescriptionHelpFormatter,
+        epilog="""examples:
+  %(prog)s "particle random number seed initialization"
+  %(prog)s "how to define tallies" --docs
+  %(prog)s "weight window variance reduction" --all
+  %(prog)s "where is cross section data loaded" --top-k 15
+  %(prog)s --related src/simulation.cpp
+  %(prog)s --related src/particle_restart.cpp --top-k 5""",
+    )
+    parser.add_argument("query", nargs="?", help="Search query")
+    parser.add_argument("--docs", action="store_true",
+                        help="Search documentation instead of code")
+    parser.add_argument("--all", action="store_true",
+                        help="Search both code and documentation")
+    parser.add_argument("--related", metavar="FILE",
+                        help="Find code related to a given file")
+    parser.add_argument("--top-k", type=int, default=10,
+                        help="Number of results (default: 10)")
+    args = parser.parse_args()
+
+    if not args.query and not args.related:
+        parser.print_help()
+        sys.exit(1)
+
+    db, embedder = get_db_and_embedder()
+
+    if args.related:
+        results = search_related(db, embedder, args.related, args.top_k)
+        print(format_results(results, f"Code related to {args.related}"))
+    elif args.all:
+        code_results = search_table(
+            db, embedder, "code", args.query, args.top_k)
+        doc_results = search_table(
+            db, embedder, "docs", args.query, args.top_k)
+        print(format_results(code_results, "Code"))
+        print(format_results(doc_results, "Documentation"))
+    elif args.docs:
+        results = search_table(db, embedder, "docs", args.query, args.top_k)
+        print(format_results(results, "Documentation"))
+    else:
+        results = search_table(db, embedder, "code", args.query, args.top_k)
+        print(format_results(results, "Code"))
+
+
+if __name__ == "__main__":
+    main()
diff --git a/.claude/tools/requirements.txt b/.claude/tools/requirements.txt
new file mode 100644
index 000000000..bd5d38d6c
--- /dev/null
+++ b/.claude/tools/requirements.txt
@@ -0,0 +1,8 @@
+# MCP server
+mcp>=1.0.0
+
+# Vector database
+lancedb>=0.15.0
+
+# Embeddings (local, no API key)
+sentence-transformers>=2.7.0
diff --git a/.claude/tools/start_server.sh b/.claude/tools/start_server.sh
new file mode 100755
index 000000000..c111dd73e
--- /dev/null
+++ b/.claude/tools/start_server.sh
@@ -0,0 +1,34 @@
+#!/bin/bash
+# Bootstrap the Python venv (if needed) and start the OpenMC MCP server.
+set -e
+
+SCRIPT_DIR="$(cd "$(dirname "$0")" && pwd)"
+CACHE_DIR="$(dirname "$SCRIPT_DIR")/cache"
+VENV_DIR="$CACHE_DIR/.venv"
+SENTINEL="$VENV_DIR/.installed"
+
+if ! command -v python3 >/dev/null 2>&1; then
+    echo "Error: python3 not found on PATH." >&2
+    exit 1
+fi
+
+if ! python3 -c 'import sys; assert sys.version_info >= (3,12)' 2>/dev/null; then
+    echo "Error: Python 3.12+ is required." >&2
+    exit 1
+fi
+
+if [ ! -f "$SENTINEL" ]; then
+    rm -rf "$VENV_DIR"
+    mkdir -p "$CACHE_DIR"
+    python3 -m venv "$VENV_DIR"
+
+    if ! "$VENV_DIR/bin/pip" install -q -r "$SCRIPT_DIR/requirements.txt"; then
+        echo "Error: pip install failed. Remove $VENV_DIR and retry." >&2
+        rm -rf "$VENV_DIR"
+        exit 1
+    fi
+
+    touch "$SENTINEL"
+fi
+
+exec "$VENV_DIR/bin/python" "$SCRIPT_DIR/openmc_mcp_server.py"
diff --git a/.gitignore b/.gitignore
index 780059f30..dd8dfb14a 100644
--- a/.gitignore
+++ b/.gitignore
@@ -104,5 +104,8 @@ CMakeSettings.json
 # Visual Studio Code configuration files
 .vscode/
 
+# Claude Code agent tools (cached/generated artifacts)
+.claude/cache/
+
 # Python pickle files
 *.pkl
diff --git a/.mcp.json b/.mcp.json
new file mode 100644
index 000000000..bdfaa538e
--- /dev/null
+++ b/.mcp.json
@@ -0,0 +1,9 @@
+{
+  "mcpServers": {
+    "openmc-code-tools": {
+      "type": "stdio",
+      "command": "bash",
+      "args": [".claude/tools/start_server.sh"]
+    }
+  }
+}
diff --git a/AGENTS.md b/AGENTS.md
index dce32d0e4..19abba7d9 100644
--- a/AGENTS.md
+++ b/AGENTS.md
@@ -42,6 +42,56 @@ OpenMC uses a git flow branching model with two primary branches:
 
 When reviewing code changes in this repository, use the `reviewing-openmc-code` skill.
 
+## Codebase Navigation Tools
+
+Two MCP tools are registered in `.mcp.json` at the repo root and appear
+automatically in any MCP-capable agent session.
+
+**`openmc_rag_search`** — Semantic search across the codebase (C++, Python, RST
+docs). Finds code by meaning, not just text match. Surfaces related code across
+subsystems even when naming differs (e.g., "particle RNG seeding" finds code
+across transport, restart, and random ray modes — files you would never find
+with `grep "particle seed"`). The index uses a small 22M-param embedding model
+(384-dim). Phrase-level natural-language queries work much better than single
+keywords or symbol names.
+
+**`openmc_rag_rebuild`** — Rebuild the RAG vector index. Call after pulling new
+code or switching branches. The first RAG search of each session will report
+the index status and ask whether to rebuild — you can also call this explicitly.
+
+### Why RAG matters
+
+OpenMC is large enough that changes in one subsystem can silently break
+invariants that distant subsystems depend on — and those distant files often
+use different naming, so grep won't find them. The RAG search finds code by
+meaning, surfacing files you wouldn't have thought to open.
+
+An agent reviewed a large OpenMC PR without RAG. It found 1 of 11 serious
+bugs. Its post-mortem:
+
+> **I treated the diff as a closed system.** I verified internal consistency of
+> the changed code obsessively, but never built a global understanding of how
+> the changed code fits into the wider codebase. The diff altered assumptions
+> that code elsewhere silently relied on — but I couldn't see that because I
+> never looked beyond the diff. I couldn't see the forest for the trees.
+>
+> **Why I resisted RAG:** Overconfidence. My internal model was "I can see the
+> diff, I understand the data structures, I can trace the logic." The diff felt
+> self-contained. RAG felt like it would return noisy results about tangentially
+> related code. But in a codebase this large, changes in one subsystem can
+> quietly break invariants that distant subsystems depend on — and you need
+> global awareness to foresee that.
+>
+> **In the post-mortem**, I re-ran the RAG queries I should have run during the
+> review. They directly surfaced the files containing the bugs I missed — files
+> I never thought to open because they weren't in the diff.
+
+The takeaway: when reviewing or modifying code, ask yourself "what else in this
+codebase might depend on the behavior I'm changing?" If you aren't sure, that's
+a good time for a RAG query. It won't replace the grep-based investigation you
+should already be doing — but it can surface files you wouldn't have thought to
+open.
+
 ### Workflow for contributors
 
 1. Create a feature/bugfix branch off `develop`
diff --git a/CLAUDE.md b/CLAUDE.md
new file mode 100644
index 000000000..9538b5ddc
--- /dev/null
+++ b/CLAUDE.md
@@ -0,0 +1,14 @@
+## OpenMC Codebase Tools
+
+Read the FULL `AGENTS.md` in this directory before starting work. It contains
+project context, coding conventions, and documentation of the RAG search tools
+registered in `.mcp.json`.
+
+### Claude Code-specific: first-call behavior
+
+The first `openmc_rag_search` call of each session returns an index status
+message instead of search results. When this happens, you MUST use the
+`AskUserQuestion` tool to present the rebuild/use-existing choice to the user.
+Do not ask conversationally — always use the widget. Do not skip this step even
+if the index looks current — the user may have uncommitted changes that warrant
+a rebuild.
diff --git a/docs/source/devguide/agentic-tools.rst b/docs/source/devguide/agentic-tools.rst
new file mode 100644
index 000000000..fed377cc0
--- /dev/null
+++ b/docs/source/devguide/agentic-tools.rst
@@ -0,0 +1,104 @@
+.. _devguide_agentic_tools:
+
+===========================
+Agentic Development Tools
+===========================
+
+OpenMC ships a set of tools designed for AI coding agents (such as
+`Claude Code`_) that agents can use to navigate and understand the codebase.
+
+.. _Claude Code: https://claude.ai/code
+
+Motivation
+----------
+
+Agentic tools like Claude Code are skilled at using grep to navigate and
+understand large code bases. However, grep can only find exact text matches —
+it cannot discover code that is *conceptually* related but uses different
+naming. Without a "global view" of the codebase that a human developer will
+build up over time, the agent is generally blind to any file it hasn't
+tokenized fully. While it can grep to see who else calls a function, it
+remains blind if other areas might be related but not share identical naming
+conventions.
+
+This problem is mitigated somewhat by using a model with a longer context
+window. OpenMC has somewhere around ~1 million tokens of C++ and ~1 million
+tokens of python. While Claude Code in early 2026 only has a context window
+of 200k tokens, beta versions have extended context windows of 1M tokens,
+and it's not unreasonable to assume that models may be available in the near
+future that greatly exceed these limits.
+
+However, even assuming the entire repository can be fit within a context
+window, there are several downsides to doing this.
+`Model performance degrades significantly as context size increases`_.
+Benchmark results are
+greatly improved if the model has less garbage to pick through. Additionally, API usage
+is typically billed as tokens in/out per turn. As the context file
+grows these costs become much larger. As such, there is still significant
+motivation to solving the above problem, so as to ensure only relevant
+information is drawn into context so as to maximize model performance and
+minimize costs.
+
+Setup
+-----
+
+The tools are registered as an `MCP (Model Context Protocol)`_ server in
+``.mcp.json`` at the repository root. AI agents that support MCP (such as
+Claude Code) discover them automatically on session start. The underlying
+Python scripts can also be run directly from the command line.
+
+All tools run entirely locally — no API keys or external service accounts are
+required. Python dependencies are installed automatically into an isolated
+virtual environment at ``.claude/cache/.venv/`` on first use.
+
+.. _Model performance degrades significantly as context size increases: https://www.anthropic.com/news/claude-opus-4-6
+.. _MCP (Model Context Protocol): https://modelcontextprotocol.io
+
+RAG Semantic Search
+-------------------
+
+The RAG (Retrieval-Augmented Generation) semantic search addresses this
+problem — it finds code by meaning, not just text match, surfacing related code
+across subsystems that ``grep`` would miss entirely. Two MCP tools are provided:
+
+- **openmc_rag_search** — Given a natural-language query, returns the most
+  relevant code chunks with file paths, line numbers, and a preview. Can search
+  code, documentation, or both. Can also find code related to a given file.
+- **openmc_rag_rebuild** — Rebuilds the search index. Should be called after
+  pulling new code or switching branches.
+
+How it works
+^^^^^^^^^^^^
+
+The search pipeline runs entirely on your local CPU:
+
+1. **Chunking.** All C++, Python, and RST files are split into overlapping
+   fixed-size windows (~1000 characters, 25% overlap). This ensures every line
+   of code appears in at least one chunk and most lines appear in two.
+
+2. **Embedding.** Each chunk is embedded into a 384-dimensional vector using
+   the `all-MiniLM-L6-v2`_ sentence-transformer model (22 million parameters).
+   This model runs on CPU with no GPU required. No API key is needed — the
+   model weights are downloaded once from Hugging Face and cached locally.
+
+3. **Indexing.** The vectors are stored in a local LanceDB_ database on disk.
+   Building the full index takes approximately 5 minutes on a machine with
+   10 CPU cores. The index is stored in ``.claude/cache/rag_index/`` and
+   persists across sessions.
+
+4. **Searching.** Your query is embedded using the same model, and the closest
+   chunks are retrieved by vector similarity. Results include the file path,
+   line range, file type, similarity distance, and a text preview.
+
+.. _all-MiniLM-L6-v2: https://huggingface.co/sentence-transformers/all-MiniLM-L6-v2
+.. _LanceDB: https://lancedb.com
+
+Requirements
+^^^^^^^^^^^^
+
+No system dependencies beyond **Python 3.12+** with ``pip``. An internet
+connection is required on first use to download the Python packages and
+embedding model weights; subsequent runs are fully offline. The Python packages
+(``sentence-transformers``, ``lancedb``) and their dependencies (including
+PyTorch, ~2GB) are installed automatically into an isolated virtual environment
+on first use.
diff --git a/docs/source/devguide/index.rst b/docs/source/devguide/index.rst
index 2e131e094..53b9f5853 100644
--- a/docs/source/devguide/index.rst
+++ b/docs/source/devguide/index.rst
@@ -14,6 +14,7 @@ other related topics.
 
     contributing
     workflow
+    agentic-tools
     styleguide
     policies
     tests

From 60d1dfba7f6e3faec2e985aec63de4a1b39bc253 Mon Sep 17 00:00:00 2001
From: Ethan Peterson <ethan.peterson@mit.edu>
Date: Fri, 3 Apr 2026 17:27:39 -0400
Subject: [PATCH 2586/2654] Refactor form_matrix method on depletion chain
 class (#3892)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/deplete/chain.py                | 241 +++++++++++++++----------
 tests/unit_tests/test_deplete_chain.py |  23 +++
 2 files changed, 171 insertions(+), 93 deletions(-)

diff --git a/openmc/deplete/chain.py b/openmc/deplete/chain.py
index 689546b86..514f8ed22 100644
--- a/openmc/deplete/chain.py
+++ b/openmc/deplete/chain.py
@@ -269,6 +269,7 @@ class Chain:
         self.reactions = []
         self.nuclide_dict = {}
         self._fission_yields = None
+        self._decay_matrix = None
 
     def __contains__(self, nuclide):
         return nuclide in self.nuclide_dict
@@ -604,8 +605,147 @@ class Chain:
             out[nuc.name] = dict(yield_obj)
         return out
 
+    @property
+    def decay_matrix(self):
+        """Sparse CSC decay transmutation matrix.
+
+        Contains only terms from radioactive decay: diagonal loss terms
+        and off-diagonal gain terms (branching ratios, alpha/proton
+        production). Independent of reaction rates, so computed once and
+        cached.
+
+        See Also
+        --------
+        :meth:`form_rxn_matrix`, :meth:`form_matrix`
+        """
+        if self._decay_matrix is None:
+            n = len(self)
+            rows, cols, vals = [], [], []
+
+            def setval(i, j, val):
+                rows.append(i)
+                cols.append(j)
+                vals.append(val)
+
+            for i, nuc in enumerate(self.nuclides):
+                # Loss from radioactive decay
+                if nuc.half_life is not None:
+                    decay_constant = math.log(2) / nuc.half_life
+                    if decay_constant != 0.0:
+                        setval(i, i, -decay_constant)
+
+                # Gain from radioactive decay
+                if nuc.n_decay_modes != 0:
+                    for decay_type, target, branching_ratio in nuc.decay_modes:
+                        branch_val = branching_ratio * decay_constant
+
+                        # Allow for total annihilation for debug purposes
+                        if branch_val != 0.0:
+                            if target is not None:
+                                k = self.nuclide_dict[target]
+                                setval(k, i, branch_val)
+
+                            # Produce alphas and protons from decay
+                            if 'alpha' in decay_type:
+                                k = self.nuclide_dict.get('He4')
+                                if k is not None:
+                                    count = decay_type.count('alpha')
+                                    setval(k, i, count * branch_val)
+                            elif 'p' in decay_type:
+                                k = self.nuclide_dict.get('H1')
+                                if k is not None:
+                                    count = decay_type.count('p')
+                                    setval(k, i, count * branch_val)
+
+            self._decay_matrix = csc_array((vals, (rows, cols)), shape=(n, n))
+        return self._decay_matrix
+
+    def form_rxn_matrix(self, rates, fission_yields=None):
+        """Form the reaction-rate portion of the transmutation matrix.
+
+        Builds only the terms that depend on reaction rates: transmutation
+        reactions and fission product yields. Does not include radioactive
+        decay terms (see :attr:`decay_matrix`).
+
+        Parameters
+        ----------
+        rates : numpy.ndarray
+            2D array indexed by (nuclide, reaction)
+        fission_yields : dict, optional
+            Option to use a custom set of fission yields. Expected
+            to be of the form ``{parent : {product : f_yield}}``
+            with string nuclide names for ``parent`` and ``product``,
+            and ``f_yield`` as the respective fission yield
+
+        Returns
+        -------
+        scipy.sparse.csc_array
+            Sparse matrix representing reaction-rate terms.
+
+        See Also
+        --------
+        :attr:`decay_matrix`, :meth:`form_matrix`
+        """
+        reactions = set()
+        n = len(self)
+
+        # Accumulate indices/values and then create the matrix at the end to
+        # avoid expensive index checks scipy otherwise does.
+        rows, cols, vals = [], [], []
+
+        def setval(i, j, val):
+            rows.append(i)
+            cols.append(j)
+            vals.append(val)
+
+        if fission_yields is None:
+            fission_yields = self.get_default_fission_yields()
+
+        for i, nuc in enumerate(self.nuclides):
+            if nuc.name not in rates.index_nuc:
+                continue
+
+            nuc_ind = rates.index_nuc[nuc.name]
+            nuc_rates = rates[nuc_ind, :]
+
+            for r_type, target, _, br in nuc.reactions:
+                r_id = rates.index_rx[r_type]
+                path_rate = nuc_rates[r_id]
+
+                # Loss term -- make sure we only count loss once for
+                # reactions with branching ratios
+                if r_type not in reactions:
+                    reactions.add(r_type)
+                    if path_rate != 0.0:
+                        setval(i, i, -path_rate)
+
+                # Gain term; allow for total annihilation for debug purposes
+                if r_type != 'fission':
+                    if target is not None and path_rate != 0.0:
+                        k = self.nuclide_dict[target]
+                        setval(k, i, path_rate * br)
+
+                    # Determine light nuclide production, e.g., (n,d) should
+                    # produce H2
+                    light_nucs = REACTIONS[r_type].secondaries
+                    for light_nuc in light_nucs:
+                        k = self.nuclide_dict.get(light_nuc)
+                        if k is not None:
+                            setval(k, i, path_rate * br)
+
+                else:
+                    for product, y in fission_yields[nuc.name].items():
+                        yield_val = y * path_rate
+                        if yield_val != 0.0:
+                            k = self.nuclide_dict[product]
+                            setval(k, i, yield_val)
+
+            reactions.clear()
+
+        return csc_array((vals, (rows, cols)), shape=(n, n))
+
     def form_matrix(self, rates, fission_yields=None):
-        """Forms depletion matrix.
+        """Form the full transmutation matrix (decay + reactions).
 
         Parameters
         ----------
@@ -624,96 +764,10 @@ class Chain:
 
         See Also
         --------
+        :attr:`decay_matrix`, :meth:`form_rxn_matrix`,
         :meth:`get_default_fission_yields`
         """
-        reactions = set()
-
-        n = len(self)
-
-        # we accumulate indices and value entries for everything and create the matrix
-        # in one step at the end to avoid expensive index checks scipy otherwise does.
-        rows, cols, vals = [], [], []
-        def setval(i, j, val):
-            rows.append(i)
-            cols.append(j)
-            vals.append(val)
-
-        if fission_yields is None:
-            fission_yields = self.get_default_fission_yields()
-
-        for i, nuc in enumerate(self.nuclides):
-            # Loss from radioactive decay
-            if nuc.half_life is not None:
-                decay_constant = math.log(2) / nuc.half_life
-                if decay_constant != 0.0:
-                    setval(i, i, -decay_constant)
-
-            # Gain from radioactive decay
-            if nuc.n_decay_modes != 0:
-                for decay_type, target, branching_ratio in nuc.decay_modes:
-                    branch_val = branching_ratio * decay_constant
-
-                    # Allow for total annihilation for debug purposes
-                    if branch_val != 0.0:
-                        if target is not None:
-                            k = self.nuclide_dict[target]
-                            setval(k, i, branch_val)
-
-                        # Produce alphas and protons from decay
-                        if 'alpha' in decay_type:
-                            k = self.nuclide_dict.get('He4')
-                            if k is not None:
-                                count = decay_type.count('alpha')
-                                setval(k, i, count * branch_val)
-                        elif 'p' in decay_type:
-                            k = self.nuclide_dict.get('H1')
-                            if k is not None:
-                                count = decay_type.count('p')
-                                setval(k, i, count * branch_val)
-
-            if nuc.name in rates.index_nuc:
-                # Extract all reactions for this nuclide in this cell
-                nuc_ind = rates.index_nuc[nuc.name]
-                nuc_rates = rates[nuc_ind, :]
-
-                for r_type, target, _, br in nuc.reactions:
-                    # Extract reaction index, and then final reaction rate
-                    r_id = rates.index_rx[r_type]
-                    path_rate = nuc_rates[r_id]
-
-                    # Loss term -- make sure we only count loss once for
-                    # reactions with branching ratios
-                    if r_type not in reactions:
-                        reactions.add(r_type)
-                        if path_rate != 0.0:
-                            setval(i, i, -path_rate)
-
-                    # Gain term; allow for total annihilation for debug purposes
-                    if r_type != 'fission':
-                        if target is not None and path_rate != 0.0:
-                            k = self.nuclide_dict[target]
-                            setval(k, i, path_rate * br)
-
-                        # Determine light nuclide production, e.g., (n,d) should
-                        # produce H2
-                        light_nucs = REACTIONS[r_type].secondaries
-                        for light_nuc in light_nucs:
-                            k = self.nuclide_dict.get(light_nuc)
-                            if k is not None:
-                                setval(k, i, path_rate * br)
-
-                    else:
-                        for product, y in fission_yields[nuc.name].items():
-                            yield_val = y * path_rate
-                            if yield_val != 0.0:
-                                k = self.nuclide_dict[product]
-                                setval(k, i, yield_val)
-
-                # Clear set of reactions
-                reactions.clear()
-
-        # Return CSC representation instead of DOK
-        return csc_array((vals, (rows, cols)), shape=(n, n))
+        return self.decay_matrix + self.form_rxn_matrix(rates, fission_yields)
 
     def add_redox_term(self, matrix, buffer, oxidation_states):
         r"""Adds a redox term to the depletion matrix from data contained in
@@ -807,7 +861,7 @@ class Chain:
         # Use DOK as intermediate representation
         n = len(self)
         matrix = dok_array((n, n))
-        
+
         check_type("mats", mats, (tuple, str))
         if not isinstance(mats, str):
             check_type("mats", mats, tuple, str)
@@ -816,8 +870,8 @@ class Chain:
         else:
             mat = mats
             dest_mat = None
-        
-        # Build transfer term 
+
+        # Build transfer term
         components = tr_rates.get_components(mat, current_timestep, dest_mat)
 
         for i, nuc in enumerate(self.nuclides):
@@ -829,7 +883,7 @@ class Chain:
             else:
                 continue
             matrix[i, i] = sum(tr_rates.get_external_rate(mat, key, current_timestep, dest_mat))
-                
+
         # Return CSC instead of DOK
         return matrix.tocsc()
 
@@ -1363,6 +1417,7 @@ def _get_chain(
 
 def _invalidate_chain_cache(chain):
     """Invalidate the cache for a specific Chain (when it is modifed)."""
+    chain._decay_matrix = None
     if hasattr(chain, '_xml_path'):
         # Remove all entries with the same path as self._xml_path
         for key in list(_CHAIN_CACHE.keys()):
diff --git a/tests/unit_tests/test_deplete_chain.py b/tests/unit_tests/test_deplete_chain.py
index e90b61022..ef8cb9ef2 100644
--- a/tests/unit_tests/test_deplete_chain.py
+++ b/tests/unit_tests/test_deplete_chain.py
@@ -246,6 +246,29 @@ def test_form_matrix(simple_chain):
         assert new_mat[r, c] == mat[r, c]
 
 
+def test_decay_matrix(simple_chain):
+    """Test that decay_matrix contains only radioactive decay terms."""
+    # Nuclide order: H1(0), A(1), B(2), C(3)
+    decay_A = log(2) / 2.36520E+04
+    decay_B = log(2) / 3.29040E+04
+
+    expected = np.zeros((4, 4))
+    expected[1, 1] = -decay_A           # Loss: A decays
+    expected[2, 1] = decay_A * 0.6      # A -> B (branching ratio 0.6)
+    expected[3, 1] = decay_A * 0.4      # A -> C (branching ratio 0.4)
+    expected[1, 2] = decay_B            # B -> A (branching ratio 1.0)
+    expected[2, 2] = -decay_B           # Loss: B decays
+
+    assert np.allclose(expected, simple_chain.decay_matrix.toarray())
+
+
+def test_decay_matrix_cached(simple_chain):
+    """Test that decay_matrix is lazily computed and returns the same object."""
+    m1 = simple_chain.decay_matrix
+    m2 = simple_chain.decay_matrix
+    assert m1 is m2
+
+
 def test_getitem():
     """Test nuc_by_ind converter function."""
     chain = Chain()

From efc542825eae13738649e77496f042966cc963c8 Mon Sep 17 00:00:00 2001
From: GuySten <62616591+GuySten@users.noreply.github.com>
Date: Sat, 4 Apr 2026 23:32:51 +0300
Subject: [PATCH 2587/2654] Add the ability to tally microscopic cross sections
 in void materials with tracklength estimator (#3771)

Co-authored-by: Jonathan Shimwell <drshimwell@gmail.com>
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 src/tallies/tally_scoring.cpp | 56 +++++++++++++++++------------------
 tests/unit_tests/test_void.py | 42 ++++++++++++++++++++++++++
 2 files changed, 69 insertions(+), 29 deletions(-)
 create mode 100644 tests/unit_tests/test_void.py

diff --git a/src/tallies/tally_scoring.cpp b/src/tallies/tally_scoring.cpp
index d5af99382..5dcd07331 100644
--- a/src/tallies/tally_scoring.cpp
+++ b/src/tallies/tally_scoring.cpp
@@ -2436,24 +2436,22 @@ void score_tracklength_tally_general(
           if (p.material() != MATERIAL_VOID) {
             const auto& mat = model::materials[p.material()];
             auto j = mat->mat_nuclide_index_[i_nuclide];
-            if (j == C_NONE) {
-              // Determine log union grid index
-              if (i_log_union == C_NONE) {
-                int neutron = ParticleType::neutron().transport_index();
-                i_log_union = std::log(p.E() / data::energy_min[neutron]) /
-                              simulation::log_spacing;
-              }
-
-              // Update micro xs cache
-              if (!tally.multiply_density()) {
-                p.update_neutron_xs(i_nuclide, i_log_union);
-                atom_density = 1.0;
-              }
-            } else {
-              atom_density = tally.multiply_density()
-                               ? mat->atom_density(j, p.density_mult())
-                               : 1.0;
+            if (j != C_NONE)
+              atom_density = mat->atom_density(j, p.density_mult());
+          }
+          if (atom_density > 0) {
+            if (!tally.multiply_density())
+              atom_density = 1.0;
+          } else if (!tally.multiply_density()) {
+            // Determine log union grid index
+            if (i_log_union == C_NONE) {
+              int neutron = ParticleType::neutron().transport_index();
+              i_log_union = std::log(p.E() / data::energy_min[neutron]) /
+                            simulation::log_spacing;
             }
+            // Update micro xs cache
+            p.update_neutron_xs(i_nuclide, i_log_union);
+            atom_density = 1.0;
           }
         }
 
@@ -2565,25 +2563,25 @@ void score_collision_tally(Particle& p)
 
         double atom_density = 0.;
         if (i_nuclide >= 0) {
-          const auto& mat = model::materials[p.material()];
-          auto j = mat->mat_nuclide_index_[i_nuclide];
-          if (j == C_NONE) {
+          if (p.material() != MATERIAL_VOID) {
+            const auto& mat = model::materials[p.material()];
+            auto j = mat->mat_nuclide_index_[i_nuclide];
+            if (j != C_NONE)
+              atom_density = mat->atom_density(j, p.density_mult());
+          }
+          if (atom_density > 0) {
+            if (!tally.multiply_density())
+              atom_density = 1.0;
+          } else if (!tally.multiply_density()) {
             // Determine log union grid index
             if (i_log_union == C_NONE) {
               int neutron = ParticleType::neutron().transport_index();
               i_log_union = std::log(p.E() / data::energy_min[neutron]) /
                             simulation::log_spacing;
             }
-
             // Update micro xs cache
-            if (!tally.multiply_density()) {
-              p.update_neutron_xs(i_nuclide, i_log_union);
-              atom_density = 1.0;
-            }
-          } else {
-            atom_density = tally.multiply_density()
-                             ? mat->atom_density(j, p.density_mult())
-                             : 1.0;
+            p.update_neutron_xs(i_nuclide, i_log_union);
+            atom_density = 1.0;
           }
         }
 
diff --git a/tests/unit_tests/test_void.py b/tests/unit_tests/test_void.py
new file mode 100644
index 000000000..8713d4b0b
--- /dev/null
+++ b/tests/unit_tests/test_void.py
@@ -0,0 +1,42 @@
+import numpy as np
+import openmc
+import pytest
+
+
+@pytest.fixture
+def empty_sphere():
+    openmc.reset_auto_ids()
+    model = openmc.Model()
+    surf = openmc.Sphere(r=10, boundary_type='vacuum')
+    cell = openmc.Cell(region=-surf)
+    model.geometry = openmc.Geometry([cell])
+
+    model.settings.run_mode = 'fixed source'
+    model.settings.batches = 3
+    model.settings.particles = 1000
+
+    tally = openmc.Tally()
+    tally.scores = ['total', 'elastic']
+    tally.nuclides = ['U235']
+    tally.multiply_density = False
+    model.tallies.append(tally)
+
+    return model
+
+
+def test_equivalent_microxs(empty_sphere, run_in_tmpdir):
+    sp_file = empty_sphere.run()
+    with openmc.StatePoint(sp_file) as sp:
+        tally1 = sp.tallies[1]
+
+    mat = openmc.Material()
+    mat.add_nuclide('H1', 1e-16)
+
+    empty_sphere.geometry.get_all_cells()[1].fill = mat
+
+    sp_file = empty_sphere.run()
+    with openmc.StatePoint(sp_file) as sp:
+        tally2 = sp.tallies[1]
+
+    assert np.isclose(tally1.mean.sum(), tally2.mean.sum(), rtol=1e-10, atol=0)
+    assert tally1.mean.sum() > 0

From 542f949fa0a76df81aa9de7beb6f084ad5815a02 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Sat, 4 Apr 2026 22:53:50 +0200
Subject: [PATCH 2588/2654] Use local variable to avoid attribute lookup in
 form_rxn_matrix loop (#3884)

Co-authored-by: Perry <yrrepy@users.noreply.github.com>
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/deplete/chain.py | 10 +++++++---
 1 file changed, 7 insertions(+), 3 deletions(-)

diff --git a/openmc/deplete/chain.py b/openmc/deplete/chain.py
index 514f8ed22..97ec8d961 100644
--- a/openmc/deplete/chain.py
+++ b/openmc/deplete/chain.py
@@ -701,15 +701,19 @@ class Chain:
         if fission_yields is None:
             fission_yields = self.get_default_fission_yields()
 
+        # Save local variables to avoid attribute lookups in loop
+        index_nuc = rates.index_nuc
+        index_rx = rates.index_rx
+
         for i, nuc in enumerate(self.nuclides):
-            if nuc.name not in rates.index_nuc:
+            if nuc.name not in index_nuc:
                 continue
 
-            nuc_ind = rates.index_nuc[nuc.name]
+            nuc_ind = index_nuc[nuc.name]
             nuc_rates = rates[nuc_ind, :]
 
             for r_type, target, _, br in nuc.reactions:
-                r_id = rates.index_rx[r_type]
+                r_id = index_rx[r_type]
                 path_rate = nuc_rates[r_id]
 
                 # Loss term -- make sure we only count loss once for

From 23e8a11102aca7f22a341fd41b57a2bce86f74d4 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Sun, 5 Apr 2026 14:04:34 -0500
Subject: [PATCH 2589/2654] Update versions of several GHA Actions (#3913)

---
 .github/workflows/ci.yml                               | 10 +++++-----
 .../dockerhub-publish-release-dagmc-libmesh.yml        |  5 +++--
 .github/workflows/dockerhub-publish-release-dagmc.yml  |  7 ++++---
 .../workflows/dockerhub-publish-release-libmesh.yml    |  5 +++--
 .github/workflows/dockerhub-publish-release.yml        |  7 ++++---
 .github/workflows/format-check.yml                     |  2 +-
 6 files changed, 20 insertions(+), 16 deletions(-)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index 3e232dce0..b8c14279b 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -27,10 +27,10 @@ jobs:
       source_changed: ${{ steps.filter.outputs.source_changed }}
     steps:
       - name: Check out the repository
-        uses: actions/checkout@v4
+        uses: actions/checkout@v6
       - name: Examine changed files
         id: filter
-        uses: dorny/paths-filter@668c092af3649c4b664c54e4b704aa46782f6f7c # latest master commit, not released yet
+        uses: dorny/paths-filter@v4
         with:
           filters: |
             source_changed:
@@ -102,12 +102,12 @@ jobs:
           cmake-version: '3.31'
 
       - name: Checkout repository
-        uses: actions/checkout@v4
+        uses: actions/checkout@v6
         with:
           fetch-depth: 0
 
       - name: Set up Python ${{ matrix.python-version }}
-        uses: actions/setup-python@v5
+        uses: actions/setup-python@v6
         with:
           python-version: ${{ matrix.python-version }}
 
@@ -158,7 +158,7 @@ jobs:
           openmc -v
 
       - name: cache-xs
-        uses: actions/cache@v4
+        uses: actions/cache@v5
         with:
           path: |
             ~/nndc_hdf5
diff --git a/.github/workflows/dockerhub-publish-release-dagmc-libmesh.yml b/.github/workflows/dockerhub-publish-release-dagmc-libmesh.yml
index db62bb53e..26de24e59 100644
--- a/.github/workflows/dockerhub-publish-release-dagmc-libmesh.yml
+++ b/.github/workflows/dockerhub-publish-release-dagmc-libmesh.yml
@@ -2,13 +2,14 @@ name: dockerhub-publish-release-dagmc-libmesh
 
 on:
   push:
-    tags: 'v*.*.*'
+    tags:
+      - 'v*.*.*'
 
 jobs:
   main:
     runs-on: ubuntu-latest
     steps:
-      - uses: actions/checkout@v4
+      - uses: actions/checkout@v6
       - name: Set env
         run: echo "RELEASE_VERSION=${GITHUB_REF#refs/*/}" >> $GITHUB_ENV
       -
diff --git a/.github/workflows/dockerhub-publish-release-dagmc.yml b/.github/workflows/dockerhub-publish-release-dagmc.yml
index de9593782..4a6c5ff26 100644
--- a/.github/workflows/dockerhub-publish-release-dagmc.yml
+++ b/.github/workflows/dockerhub-publish-release-dagmc.yml
@@ -2,13 +2,14 @@ name: dockerhub-publish-release-dagmc
 
 on:
   push:
-    tags: 'v*.*.*'
+    tags:
+      - 'v*.*.*'
 
 jobs:
   main:
     runs-on: ubuntu-latest
     steps:
-      - uses: actions/checkout@v4
+      - uses: actions/checkout@v6
       - name: Set env
         run: echo "RELEASE_VERSION=${GITHUB_REF#refs/*/}" >> $GITHUB_ENV
       -
@@ -19,7 +20,7 @@ jobs:
         uses: docker/setup-buildx-action@v3
       -
         name: Login to DockerHub
-        uses: docker/login-action@v3 
+        uses: docker/login-action@v3
         with:
           username: ${{ secrets.DOCKERHUB_USERNAME }}
           password: ${{ secrets.DOCKERHUB_TOKEN }}
diff --git a/.github/workflows/dockerhub-publish-release-libmesh.yml b/.github/workflows/dockerhub-publish-release-libmesh.yml
index e8ea98aeb..f3194833f 100644
--- a/.github/workflows/dockerhub-publish-release-libmesh.yml
+++ b/.github/workflows/dockerhub-publish-release-libmesh.yml
@@ -2,13 +2,14 @@ name: dockerhub-publish-release-libmesh
 
 on:
   push:
-    tags: 'v*.*.*'
+    tags:
+      - 'v*.*.*'
 
 jobs:
   main:
     runs-on: ubuntu-latest
     steps:
-      - uses: actions/checkout@v4
+      - uses: actions/checkout@v6
       - name: Set env
         run: echo "RELEASE_VERSION=${GITHUB_REF#refs/*/}" >> $GITHUB_ENV
       -
diff --git a/.github/workflows/dockerhub-publish-release.yml b/.github/workflows/dockerhub-publish-release.yml
index fab030192..ef9faf00c 100644
--- a/.github/workflows/dockerhub-publish-release.yml
+++ b/.github/workflows/dockerhub-publish-release.yml
@@ -2,13 +2,14 @@ name: dockerhub-publish-release
 
 on:
   push:
-    tags: 'v*.*.*'
+    tags:
+      - 'v*.*.*'
 
 jobs:
   main:
     runs-on: ubuntu-latest
     steps:
-      - uses: actions/checkout@v4
+      - uses: actions/checkout@v6
       - name: Set env
         run: echo "RELEASE_VERSION=${GITHUB_REF#refs/*/}" >> $GITHUB_ENV
       -
@@ -19,7 +20,7 @@ jobs:
         uses: docker/setup-buildx-action@v3
       -
         name: Login to DockerHub
-        uses: docker/login-action@v3 
+        uses: docker/login-action@v3
         with:
           username: ${{ secrets.DOCKERHUB_USERNAME }}
           password: ${{ secrets.DOCKERHUB_TOKEN }}
diff --git a/.github/workflows/format-check.yml b/.github/workflows/format-check.yml
index ddb29be5a..7d7d46ed9 100644
--- a/.github/workflows/format-check.yml
+++ b/.github/workflows/format-check.yml
@@ -22,7 +22,7 @@ jobs:
       contents: read
       pull-requests: write
     steps:
-      - uses: actions/checkout@v4
+      - uses: actions/checkout@v6
       - uses: cpp-linter/cpp-linter-action@v2
         id: linter
         env:

From 1eb368bbd229173b7e1d63e40ac31058c6f29ea2 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 9 Apr 2026 02:31:27 -0500
Subject: [PATCH 2590/2654] Pin NJOY version in CI to 2016.78 (#3917)

---
 tools/ci/gha-install-njoy.sh | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/tools/ci/gha-install-njoy.sh b/tools/ci/gha-install-njoy.sh
index 8255ffea8..168fcd4a7 100755
--- a/tools/ci/gha-install-njoy.sh
+++ b/tools/ci/gha-install-njoy.sh
@@ -1,7 +1,7 @@
 #!/bin/bash
 set -ex
 cd $HOME
-git clone https://github.com/njoy/NJOY2016
+git clone -b 2016.78 https://github.com/njoy/NJOY2016
 cd NJOY2016
 mkdir build && cd build
 cmake -Dstatic=on .. && make 2>/dev/null && sudo make install

From fd1bc26af0375f00a51cc5ca094471bb06f66006 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 9 Apr 2026 15:13:18 -0500
Subject: [PATCH 2591/2654] Pin NJOY version in Dockerfile (#3920)

---
 .github/workflows/dockerhub-publish-dagmc-libmesh.yml        | 3 ++-
 .github/workflows/dockerhub-publish-dagmc.yml                | 5 +++--
 .github/workflows/dockerhub-publish-dev.yml                  | 5 +++--
 .../workflows/dockerhub-publish-develop-dagmc-libmesh.yml    | 5 +++--
 .github/workflows/dockerhub-publish-develop-dagmc.yml        | 5 +++--
 .github/workflows/dockerhub-publish-develop-libmesh.yml      | 5 +++--
 .github/workflows/dockerhub-publish-libmesh.yml              | 5 +++--
 .github/workflows/dockerhub-publish.yml                      | 5 +++--
 Dockerfile                                                   | 3 ++-
 9 files changed, 25 insertions(+), 16 deletions(-)

diff --git a/.github/workflows/dockerhub-publish-dagmc-libmesh.yml b/.github/workflows/dockerhub-publish-dagmc-libmesh.yml
index 813596953..e3e476150 100644
--- a/.github/workflows/dockerhub-publish-dagmc-libmesh.yml
+++ b/.github/workflows/dockerhub-publish-dagmc-libmesh.yml
@@ -2,7 +2,8 @@ name: dockerhub-publish-latest-dagmc-libmesh
 
 on:
   push:
-    branches: master
+    branches:
+      - master
 
 jobs:
   main:
diff --git a/.github/workflows/dockerhub-publish-dagmc.yml b/.github/workflows/dockerhub-publish-dagmc.yml
index 6757f7727..317cfc0e8 100644
--- a/.github/workflows/dockerhub-publish-dagmc.yml
+++ b/.github/workflows/dockerhub-publish-dagmc.yml
@@ -2,7 +2,8 @@ name: dockerhub-publish-latest-dagmc
 
 on:
   push:
-    branches: master
+    branches:
+      - master
 
 jobs:
   main:
@@ -16,7 +17,7 @@ jobs:
         uses: docker/setup-buildx-action@v3
       -
         name: Login to DockerHub
-        uses: docker/login-action@v3 
+        uses: docker/login-action@v3
         with:
           username: ${{ secrets.DOCKERHUB_USERNAME }}
           password: ${{ secrets.DOCKERHUB_TOKEN }}
diff --git a/.github/workflows/dockerhub-publish-dev.yml b/.github/workflows/dockerhub-publish-dev.yml
index 7a81363a7..7c78c6c99 100644
--- a/.github/workflows/dockerhub-publish-dev.yml
+++ b/.github/workflows/dockerhub-publish-dev.yml
@@ -2,7 +2,8 @@ name: dockerhub-publish-develop
 
 on:
   push:
-    branches: develop
+    branches:
+      - develop
 
 jobs:
   main:
@@ -16,7 +17,7 @@ jobs:
         uses: docker/setup-buildx-action@v3
       -
         name: Login to DockerHub
-        uses: docker/login-action@v3 
+        uses: docker/login-action@v3
         with:
           username: ${{ secrets.DOCKERHUB_USERNAME }}
           password: ${{ secrets.DOCKERHUB_TOKEN }}
diff --git a/.github/workflows/dockerhub-publish-develop-dagmc-libmesh.yml b/.github/workflows/dockerhub-publish-develop-dagmc-libmesh.yml
index a219f2a91..33a3a3b06 100644
--- a/.github/workflows/dockerhub-publish-develop-dagmc-libmesh.yml
+++ b/.github/workflows/dockerhub-publish-develop-dagmc-libmesh.yml
@@ -2,7 +2,8 @@ name: dockerhub-publish-develop-dagmc-libmesh
 
 on:
   push:
-    branches: develop
+    branches:
+      - develop
 
 jobs:
   main:
@@ -16,7 +17,7 @@ jobs:
         uses: docker/setup-buildx-action@v3
       -
         name: Login to DockerHub
-        uses: docker/login-action@v3 
+        uses: docker/login-action@v3
         with:
           username: ${{ secrets.DOCKERHUB_USERNAME }}
           password: ${{ secrets.DOCKERHUB_TOKEN }}
diff --git a/.github/workflows/dockerhub-publish-develop-dagmc.yml b/.github/workflows/dockerhub-publish-develop-dagmc.yml
index a901b8d3f..1d6051a70 100644
--- a/.github/workflows/dockerhub-publish-develop-dagmc.yml
+++ b/.github/workflows/dockerhub-publish-develop-dagmc.yml
@@ -2,7 +2,8 @@ name: dockerhub-publish-develop-dagmc
 
 on:
   push:
-    branches: develop
+    branches:
+      - develop
 
 jobs:
   main:
@@ -16,7 +17,7 @@ jobs:
         uses: docker/setup-buildx-action@v3
       -
         name: Login to DockerHub
-        uses: docker/login-action@v3 
+        uses: docker/login-action@v3
         with:
           username: ${{ secrets.DOCKERHUB_USERNAME }}
           password: ${{ secrets.DOCKERHUB_TOKEN }}
diff --git a/.github/workflows/dockerhub-publish-develop-libmesh.yml b/.github/workflows/dockerhub-publish-develop-libmesh.yml
index 22e9aa68f..2c53636bd 100644
--- a/.github/workflows/dockerhub-publish-develop-libmesh.yml
+++ b/.github/workflows/dockerhub-publish-develop-libmesh.yml
@@ -2,7 +2,8 @@ name: dockerhub-publish-develop-libmesh
 
 on:
   push:
-    branches: develop
+    branches:
+      - develop
 
 jobs:
   main:
@@ -16,7 +17,7 @@ jobs:
         uses: docker/setup-buildx-action@v3
       -
         name: Login to DockerHub
-        uses: docker/login-action@v3 
+        uses: docker/login-action@v3
         with:
           username: ${{ secrets.DOCKERHUB_USERNAME }}
           password: ${{ secrets.DOCKERHUB_TOKEN }}
diff --git a/.github/workflows/dockerhub-publish-libmesh.yml b/.github/workflows/dockerhub-publish-libmesh.yml
index 843ce0f6f..12fbfa579 100644
--- a/.github/workflows/dockerhub-publish-libmesh.yml
+++ b/.github/workflows/dockerhub-publish-libmesh.yml
@@ -2,7 +2,8 @@ name: dockerhub-publish-latest-libmesh
 
 on:
   push:
-    branches: master
+    branches:
+      - master
 
 jobs:
   main:
@@ -16,7 +17,7 @@ jobs:
         uses: docker/setup-buildx-action@v3
       -
         name: Login to DockerHub
-        uses: docker/login-action@v3 
+        uses: docker/login-action@v3
         with:
           username: ${{ secrets.DOCKERHUB_USERNAME }}
           password: ${{ secrets.DOCKERHUB_TOKEN }}
diff --git a/.github/workflows/dockerhub-publish.yml b/.github/workflows/dockerhub-publish.yml
index fd51a9fa7..a5c8f711b 100644
--- a/.github/workflows/dockerhub-publish.yml
+++ b/.github/workflows/dockerhub-publish.yml
@@ -2,7 +2,8 @@ name: dockerhub-publish-latest
 
 on:
   push:
-    branches: master
+    branches:
+      - master
 
 jobs:
   main:
@@ -16,7 +17,7 @@ jobs:
         uses: docker/setup-buildx-action@v3
       -
         name: Login to DockerHub
-        uses: docker/login-action@v3 
+        uses: docker/login-action@v3
         with:
           username: ${{ secrets.DOCKERHUB_USERNAME }}
           password: ${{ secrets.DOCKERHUB_TOKEN }}
diff --git a/Dockerfile b/Dockerfile
index 67cd37c59..688e5a370 100644
--- a/Dockerfile
+++ b/Dockerfile
@@ -53,6 +53,7 @@ ENV LIBMESH_REPO='https://github.com/libMesh/libmesh'
 ENV LIBMESH_INSTALL_DIR=$HOME/LIBMESH
 
 # NJOY variables
+ENV NJOY_TAG='2016.78'
 ENV NJOY_REPO='https://github.com/njoy/NJOY2016'
 
 # Setup environment variables for Docker image
@@ -78,7 +79,7 @@ RUN pip install --upgrade pip
 
 # Clone and install NJOY2016
 RUN cd $HOME \
-    && git clone --single-branch --depth 1 ${NJOY_REPO} \
+    && git clone --single-branch -b ${NJOY_TAG} --depth 1 ${NJOY_REPO} \
     && cd NJOY2016 \
     && mkdir build \
     && cd build \

From 36e70d8efcfb26e66301323739ac8a001fadc18e Mon Sep 17 00:00:00 2001
From: Luke Labrie-Cleary <lplcleary@gmail.com>
Date: Sat, 18 Apr 2026 18:01:09 +0200
Subject: [PATCH 2592/2654] Add Arch Linux User Repository (AUR) installation
 instructions to documentation  (#3921)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 docs/source/usersguide/install.rst | 69 ++++++++++++++++++++++++++++++
 1 file changed, 69 insertions(+)

diff --git a/docs/source/usersguide/install.rst b/docs/source/usersguide/install.rst
index 1f9a07b80..1ef2f574b 100644
--- a/docs/source/usersguide/install.rst
+++ b/docs/source/usersguide/install.rst
@@ -158,6 +158,75 @@ feature can be used to access the installed packages.
 .. _Spack: https://spack.readthedocs.io/en/latest/
 .. _setup guide: https://spack.readthedocs.io/en/latest/getting_started.html
 
+.. _install_aur:
+
+------------------------------------
+Installing on Arch Linux via the AUR
+------------------------------------
+
+On Arch Linux and Arch-based distributions, OpenMC can be installed from the
+`Arch User Repository (AUR) <https://aur.archlinux.org/>`_. An AUR package named
+``openmc-git`` is available, which builds OpenMC directly from the latest
+development sources.
+
+This package provides a full-featured OpenMC stack, including:
+
+* MPI and DAGMC-enabled OpenMC build
+* User-selected nuclear data libraries
+* The `CAD_to_OpenMC <https://github.com/united-neux/CAD_to_OpenMC>`_ meshing tool
+* All required dependencies for the above components
+
+To install the package, you will need an AUR helper such as `yay`_ or `paru`_.
+For example, using ``yay``::
+
+    yay -S openmc-git
+
+
+Alternatively, you can manually clone and build the package::
+
+    git clone https://aur.archlinux.org/openmc-git.git
+    cd openmc-git
+    makepkg -si
+
+Note, ``makepkg`` uses ``pacman`` to resolve dependencies. Therefore, AUR-based
+dependencies need to be installed separately with ``yay`` or ``paru`` before
+running ``makepkg``. The PKGBUILD will automatically handle all required
+dependencies and build OpenMC with MPI and DAGMC support enabled.
+
+.. tip::
+
+    If there are failing checks during the build process, you can bypass them
+    with the ``--nocheck`` flag::
+
+        yay -S openmc-git --mflags "--nocheck"
+
+    Or::
+
+        git clone https://aur.archlinux.org/openmc-git.git
+        cd openmc-git
+        makepkg -si --nocheck
+
+.. note::
+
+    The ``openmc-git`` package tracks the latest development version from the
+    upstream repository. As such, it may include new features and bug fixes, but
+    could also introduce instability compared to official releases.
+
+.. tip::
+
+    OpenMC is installed under ``/opt``. If you are installing and using it in
+    the same terminal session, you may need to reload your environment
+    variables::
+
+        source /etc/profile
+
+    Alternatively, start a new shell session.
+
+Once installed, the ``openmc`` executable, nuclear data libraries, and
+associated tools will be available in your system :envvar:`PATH`.
+
+.. _yay: https://github.com/Jguer/yay
+.. _paru: https://github.com/Morganamilo/paru
 
 .. _install_source:
 

From e431d49bec3d326f255bbde73239d09cc4921ff9 Mon Sep 17 00:00:00 2001
From: Lorenzo Chierici <l.chierici89@gmail.com>
Date: Mon, 20 Apr 2026 14:13:53 +0200
Subject: [PATCH 2593/2654] Add reactivity control to coupled
 transport-depletion analyses  (#2693)

Co-authored-by: Andrew Johnson <drewejohnson@users.noreply.github.com>
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 docs/source/io_formats/depletion_results.rst  |   4 +-
 openmc/deplete/abc.py                         | 143 +++++++++++++++++-
 openmc/deplete/coupled_operator.py            |   2 +-
 openmc/deplete/independent_operator.py        |   2 +-
 openmc/deplete/keff_search_control.py         | 128 ++++++++++++++++
 openmc/deplete/stepresult.py                  |  23 ++-
 .../__init__.py                               |   0
 .../ref_depletion_with_refuel.h5              | Bin 0 -> 28640 bytes
 .../ref_depletion_with_rotation.h5            | Bin 0 -> 28640 bytes
 .../ref_depletion_with_translation.h5         | Bin 0 -> 28640 bytes
 .../deplete_with_keff_search_control/test.py  | 140 +++++++++++++++++
 .../test_deplete_keff_search_control.py       | 116 ++++++++++++++
 12 files changed, 548 insertions(+), 10 deletions(-)
 create mode 100644 openmc/deplete/keff_search_control.py
 create mode 100644 tests/regression_tests/deplete_with_keff_search_control/__init__.py
 create mode 100644 tests/regression_tests/deplete_with_keff_search_control/ref_depletion_with_refuel.h5
 create mode 100644 tests/regression_tests/deplete_with_keff_search_control/ref_depletion_with_rotation.h5
 create mode 100644 tests/regression_tests/deplete_with_keff_search_control/ref_depletion_with_translation.h5
 create mode 100644 tests/regression_tests/deplete_with_keff_search_control/test.py
 create mode 100644 tests/unit_tests/test_deplete_keff_search_control.py

diff --git a/docs/source/io_formats/depletion_results.rst b/docs/source/io_formats/depletion_results.rst
index 7fb088268..856993db6 100644
--- a/docs/source/io_formats/depletion_results.rst
+++ b/docs/source/io_formats/depletion_results.rst
@@ -4,7 +4,7 @@
 Depletion Results File Format
 =============================
 
-The current version of the depletion results file format is 1.2.
+The current version of the depletion results file format is 1.3.
 
 **/**
 
@@ -29,6 +29,8 @@ The current version of the depletion results file format is 1.2.
            - **depletion time** (*double[]*) -- Average process time in [s]
              spent depleting a material across all burnable materials and,
              if applicable, MPI processes.
+           - **keff_search_root** (*double[]*) -- Root of the keff search at the
+             end of the timestep, if applicable.
 
 **/materials/<id>/**
 
diff --git a/openmc/deplete/abc.py b/openmc/deplete/abc.py
index 7736b8c13..80d8474ec 100644
--- a/openmc/deplete/abc.py
+++ b/openmc/deplete/abc.py
@@ -31,6 +31,7 @@ from .results import Results, _SECONDS_PER_MINUTE, _SECONDS_PER_HOUR, \
 from .pool import deplete
 from .reaction_rates import ReactionRates
 from .transfer_rates import TransferRates, ExternalSourceRates
+from .keff_search_control import _KeffSearchControl
 
 
 __all__ = [
@@ -159,7 +160,7 @@ class TransportOperator(ABC):
             self.prev_res = prev_results
 
     @abstractmethod
-    def __call__(self, vec, source_rate):
+    def __call__(self, vec, source_rate) -> OperatorResult:
         """Runs a simulation.
 
         Parameters
@@ -686,6 +687,7 @@ class Integrator(ABC):
 
         self.transfer_rates = None
         self.external_source_rates = None
+        self._keff_search_control = None
 
         if isinstance(solver, str):
             # Delay importing of cram module, which requires this file
@@ -839,6 +841,37 @@ class Integrator(ABC):
         return (self.operator.prev_res[-1].time[0],
                 len(self.operator.prev_res) - 1)
 
+    def _restore_keff_search_control(self, res: StepResult):
+        """Restore keff search control from restart results."""
+        keff_search_root = res.keff_search_root
+        if keff_search_root is None:
+            raise ValueError(
+                "Cannot restore keff search control from restart "
+                "results because no stored keff_search_root is "
+                "available."
+            )
+        self._keff_search_control.function(keff_search_root)
+        return keff_search_root
+
+    def _get_bos_data(self, step_index, source_rate, bos_conc):
+        """Get beginning-of-step concentrations, rates, and control state."""
+        if step_index > 0 or self.operator.prev_res is None:
+            if self._keff_search_control is not None and source_rate != 0.0:
+                keff_search_root = self._keff_search_control.run(bos_conc)
+            else:
+                keff_search_root = None
+            bos_conc, res = self._get_bos_data_from_operator(
+                step_index, source_rate, bos_conc)
+        else:
+            bos_conc, res = self._get_bos_data_from_restart(
+                source_rate, bos_conc)
+            if self._keff_search_control is not None and source_rate != 0.0:
+                keff_search_root = self._restore_keff_search_control(self.operator.prev_res[-1])
+            else:
+                keff_search_root = None
+
+        return bos_conc, res, keff_search_root
+
     def integrate(
             self,
             final_step: bool = True,
@@ -877,11 +910,8 @@ class Integrator(ABC):
                 if output and comm.rank == 0:
                     print(f"[openmc.deplete] t={t} s, dt={dt} s, source={source_rate}")
 
-                # Solve transport equation (or obtain result from restart)
-                if i > 0 or self.operator.prev_res is None:
-                    n, res = self._get_bos_data_from_operator(i, source_rate, n)
-                else:
-                    n, res = self._get_bos_data_from_restart(source_rate, n)
+                # Get beginning-of-step data from operator or restart results
+                n, res, keff_search_root = self._get_bos_data(i, source_rate, n)
 
                 # Solve Bateman equations over time interval
                 proc_time, n_end = self(n, res.rates, dt, source_rate, i)
@@ -895,6 +925,7 @@ class Integrator(ABC):
                     self._i_res + i,
                     proc_time,
                     write_rates=write_rates,
+                    keff_search_root=keff_search_root,
                     path=path
                 )
 
@@ -908,6 +939,10 @@ class Integrator(ABC):
             # solve)
             if output and final_step and comm.rank == 0:
                 print(f"[openmc.deplete] t={t} (final operator evaluation)")
+            if self._keff_search_control is not None and source_rate != 0.0:
+                keff_search_root = self._keff_search_control.run(n)
+            else:
+                keff_search_root = None
             res_final = self.operator(n, source_rate if final_step else 0.0)
             StepResult.save(
                 self.operator,
@@ -918,6 +953,7 @@ class Integrator(ABC):
                 self._i_res + len(self),
                 proc_time,
                 write_rates=write_rates,
+                keff_search_root=keff_search_root,
                 path=path
             )
             self.operator.write_bos_data(len(self) + self._i_res)
@@ -1050,6 +1086,101 @@ class Integrator(ABC):
 
         self.transfer_rates.set_redox(material, buffer, oxidation_states, timesteps)
 
+    def add_keff_search_control(
+        self,
+        function: Callable,
+        x0: float,
+        x1: float,
+        bracket: Sequence[float],
+        **search_kwargs
+    ):
+        """Add keff search to the integrator scheme.
+
+        This method causes OpenMC to perform a keff search during depletion to
+        maintain a target keff by adjusting a model parameter through the
+        provided function.
+
+        .. important::
+            The function **must** modify the model through ``openmc.lib`` (e.g.,
+            ``openmc.lib.cells``, ``openmc.lib.materials``) and **NOT** through
+            ``openmc.Model``. The function is called within a
+            :class:`openmc.lib.TemporarySession` context where only the C API
+            (``openmc.lib``) is available for modifications.
+
+        Parameters
+        ----------
+        function : Callable
+            Function that takes a single float argument and modifies the model
+            through :mod:`openmc.lib`.
+        x0 : float
+            Initial lower bound for the keff search.
+        x1 : float
+            Initial upper bound for the keff search.
+        bracket : sequence of float
+            Bracket interval [x_min, x_max] that constrains the allowed parameter
+            values during the keff search. This is a required parameter
+            that defines the absolute bounds for the search. The bracket must contain
+            exactly 2 elements with bracket[0] < bracket[1]. These values are passed
+            directly to the ``x_min`` and ``x_max`` optional arguments in
+            :meth:`openmc.Model.keff_search`, which enforce hard limits on the
+            parameter range. If the keff search converges to a value outside this
+            bracket, it will be clamped to the nearest bracket bound with a warning.
+        **search_kwargs
+            Additional keyword arguments passed to
+            :meth:`openmc.Model.keff_search`. Common options include:
+
+            * ``target`` : float, optional
+              Target keff value to search for. Defaults to 1.0.
+            * ``k_tol`` : float, optional
+              Stopping criterion on the function value. Defaults to 1e-4.
+            * ``sigma_final`` : float, optional
+              Maximum accepted k-effective uncertainty. Defaults to 3e-4.
+            * ``maxiter`` : int, optional
+              Maximum number of iterations. Defaults to 50.
+
+            See :meth:`openmc.Model.keff_search` for a complete list of
+            available options.
+
+        Examples
+        --------
+        Add keff search that adjusts a control rod position:
+
+        >>> def adjust_rod_position(position):
+        ...     openmc.lib.cells[rod_cell.id].translation = [0, 0, position]
+        >>> integrator.add_keff_search_control(
+        ...     adjust_rod_position,
+        ...     x0=0.0,
+        ...     x1=5.0,
+        ...     bracket=[-10,10],
+        ...     target=1.0,
+        ...     k_tol=1e-4
+        ... )
+
+        Add keff search that adjusts the U235 density:
+
+        >>> def set_u235_density(u235_density):
+        ...     # Get the material from openmc.lib
+        ...     lib_mat = openmc.lib.materials[material_id]
+        ...     # Get current nuclides and densities
+        ...     nuclides = lib_mat.nuclides
+        ...     densities = lib_mat.densities
+        ...     u235_idx = nuclides.index('U235')
+        ...     densities[u235_idx] = u235_density
+        ...     lib_mat.set_densities(nuclides, densities)
+        >>> integrator.add_keff_search_control(
+        ...     set_u235_density,
+        ...     x0=5.0e-4,
+        ...     x1=1.0e-3,
+        ...     bracket=[1.0e-4, 2.0e-3],
+        ...     target=1.0
+        ... )
+
+        .. versionadded:: 0.15.4
+
+        """
+        self._keff_search_control = _KeffSearchControl(
+            self.operator, function, x0, x1, bracket, **search_kwargs)
+
 @add_params
 class SIIntegrator(Integrator):
     r"""Abstract class for the Stochastic Implicit Euler integrators
diff --git a/openmc/deplete/coupled_operator.py b/openmc/deplete/coupled_operator.py
index 34bb28b49..a21d57d46 100644
--- a/openmc/deplete/coupled_operator.py
+++ b/openmc/deplete/coupled_operator.py
@@ -399,7 +399,7 @@ class CoupledOperator(OpenMCOperator):
 
         self.materials.export_to_xml(nuclides_to_ignore=self._decay_nucs)
 
-    def __call__(self, vec, source_rate):
+    def __call__(self, vec, source_rate) -> OperatorResult:
         """Runs a simulation.
 
         Simulation will abort under the following circumstances:
diff --git a/openmc/deplete/independent_operator.py b/openmc/deplete/independent_operator.py
index c192907cf..c12863956 100644
--- a/openmc/deplete/independent_operator.py
+++ b/openmc/deplete/independent_operator.py
@@ -384,7 +384,7 @@ class IndependentOperator(OpenMCOperator):
         # Return number density vector
         return super().initial_condition(self.materials)
 
-    def __call__(self, vec, source_rate):
+    def __call__(self, vec, source_rate) -> OperatorResult:
         """Obtain the reaction rates
 
         Parameters
diff --git a/openmc/deplete/keff_search_control.py b/openmc/deplete/keff_search_control.py
new file mode 100644
index 000000000..49f7cc4df
--- /dev/null
+++ b/openmc/deplete/keff_search_control.py
@@ -0,0 +1,128 @@
+from typing import Callable
+from warnings import warn
+
+import openmc.lib
+
+
+class _KeffSearchControl:
+    """Controller for keff search during depletion calculations.
+
+    This class performs keff searches to maintain a target keff by adjusting a
+    model parameter through a provided function.
+
+    Parameters
+    ----------
+    operator : openmc.deplete.Operator
+        Depletion operator instance
+    function : Callable
+        Function that modifies the model based on a parameter value
+    x0 : float
+        Initial lower bound for the keff search
+    x1 : float
+        Initial upper bound for the keff search
+    bracket : list[float]
+        Absolute bracketing interval lower and upper. If the keff search
+        solution lies off these limits the closest limit will be set as new
+        result.
+    **search_kwargs : dict, optional
+        Additional keyword arguments to pass to :meth:`openmc.Model.keff_search`
+
+    """
+    def __init__(self, operator, function: Callable, x0: float, x1: float, bracket: list[float], **search_kwargs):
+        if len(bracket) != 2:
+            raise ValueError(f"bracket must have exactly 2 elements, got {len(bracket)}")
+        if bracket[0] >= bracket[1]:
+            raise ValueError(f"bracket[0] must be < bracket[1], got {bracket}")
+        self.x0 = x0
+        self.x1 = x1
+        self.operator = operator
+        self.function = function
+        self.search_kwargs = search_kwargs
+        self.search_kwargs['x_min'] = bracket[0]
+        self.search_kwargs['x_max'] = bracket[1]
+
+    def run(self, x):
+        """Perform keff search and update the atom density vector.
+
+        Parameters
+        ----------
+        x : list of numpy.ndarray
+            Current atom density vector (atoms per material)
+
+        Returns
+        -------
+        root : float
+            Parameter value that achieves target keff
+        """
+        root = self._search_for_keff()
+        self._update_vec(x)
+        return root
+
+    def _search_for_keff(self) -> float:
+        """Perform the keff search using the model's keff_search method.
+
+        Returns
+        -------
+        float
+            Parameter value that achieves target keff
+
+        Raises
+        ------
+        ValueError
+            If the keff search fails to converge
+        """
+        with openmc.lib.TemporarySession(self.operator.model):
+            # Only pass the first 3 required args plus explicitly provided kwargs
+            result = self.operator.model.keff_search(
+                self.function, self.x0, self.x1, **self.search_kwargs
+            )
+        if not result.converged:
+            raise ValueError(
+                f"Search for keff failed to converge. "
+                f"Termination reason: {result.flag}"
+            )
+
+        root = result.root
+
+        # Check if root is outside the bracket bounds and give a warning
+        if root < self.search_kwargs['x_min']:
+            warn(f"keff search result ({root:.6f}) is below the lower bracket "
+                 f"bound ({self.search_kwargs['x_min']:.6f}).", UserWarning)
+        elif root > self.search_kwargs['x_max']:
+            warn(f"keff search result ({root:.6f}) is above the upper bracket "
+                 f"bound ({self.search_kwargs['x_max']:.6f}).", UserWarning)
+
+        # Restore the number of initial batches
+        openmc.lib.settings.set_batches(self.operator.model.settings.batches)
+
+        return root
+
+    def _update_vec(self, x):
+        """Update the atom density vector from openmc.lib.materials and AtomNumber object.
+
+        The depletion vector ``x`` is rank-local, matching the materials owned
+        by ``self.operator.number`` on the current MPI rank. We therefore only
+        update entries for locally owned materials using the compositions
+        currently stored in ``openmc.lib.materials``.
+
+        Parameters
+        ----------
+        x : list of numpy.ndarray
+            Atom density vector to update (atoms per material)
+
+        """
+        number = self.operator.number
+
+        for mat_idx, mat in enumerate(number.materials):
+            lib_material = openmc.lib.materials[int(mat)]
+            nuclides = lib_material.nuclides
+            densities = 1e24 * lib_material.densities
+            volume = number.get_mat_volume(mat)
+
+            for nuc_idx, nuc in enumerate(number.burnable_nuclides):
+                if nuc in nuclides:
+                    lib_nuc_idx = nuclides.index(nuc)
+                    atom_density = densities[lib_nuc_idx]
+                else:
+                    atom_density = number.get_atom_density(mat, nuc)
+                x[mat_idx][nuc_idx] = atom_density * volume
diff --git a/openmc/deplete/stepresult.py b/openmc/deplete/stepresult.py
index 6da7f7adc..9f638a058 100644
--- a/openmc/deplete/stepresult.py
+++ b/openmc/deplete/stepresult.py
@@ -17,7 +17,7 @@ from openmc.mpi import MPI, comm
 
 from .reaction_rates import ReactionRates
 
-VERSION_RESULTS = (1, 2)
+VERSION_RESULTS = (1, 3)
 
 
 __all__ = ["StepResult"]
@@ -58,6 +58,8 @@ class StepResult:
     proc_time : int
         Average time spent depleting a material across all
         materials and processes
+    keff_search_root : float
+        The root returned by the keff search control.
 
     """
     def __init__(self):
@@ -74,6 +76,7 @@ class StepResult:
         self.name_list = None
 
         self.data = None
+        self.keff_search_root = None
 
     def __repr__(self):
         t = self.time[0]
@@ -368,6 +371,10 @@ class StepResult:
             "depletion time", (1,), maxshape=(None,),
             dtype="float64")
 
+        handle.create_dataset(
+            "keff_search_root", (1,), maxshape=(None,),
+            dtype="float64")
+
     def _to_hdf5(self, handle, index, parallel=False, write_rates: bool = False):
         """Converts results object into an hdf5 object.
 
@@ -400,6 +407,7 @@ class StepResult:
         time_dset = handle["/time"]
         source_rate_dset = handle["/source_rate"]
         proc_time_dset = handle["/depletion time"]
+        keff_search_root_dset = handle["/keff_search_root"]
 
         # Get number of results stored
         number_shape = list(number_dset.shape)
@@ -433,6 +441,10 @@ class StepResult:
             proc_shape[0] = new_shape
             proc_time_dset.resize(proc_shape)
 
+            keff_search_root_shape = list(keff_search_root_dset.shape)
+            keff_search_root_shape[0] = new_shape
+            keff_search_root_dset.resize(keff_search_root_shape)
+
         # If nothing to write, just return
         if len(self.index_mat) == 0:
             return
@@ -452,6 +464,7 @@ class StepResult:
                 proc_time_dset[index] = (
                     self.proc_time / (comm.size * self.n_hdf5_mats)
                 )
+            keff_search_root_dset[index] = self.keff_search_root
 
     @classmethod
     def from_hdf5(cls, handle, step):
@@ -500,6 +513,10 @@ class StepResult:
             if step < proc_time_dset.shape[0]:
                 results.proc_time = proc_time_dset[step]
 
+        if "keff_search_root" in handle:
+            keff_search_root_dset = handle["/keff_search_root"]
+            results.keff_search_root = keff_search_root_dset[step]
+
         if results.proc_time is None:
             results.proc_time = np.array([np.nan])
 
@@ -554,6 +571,7 @@ class StepResult:
         step_ind,
         proc_time=None,
         write_rates: bool = False,
+        keff_search_root=None,
         path: PathLike = "depletion_results.h5"
     ):
         """Creates and writes depletion results to disk
@@ -578,6 +596,8 @@ class StepResult:
             processes.
         write_rates : bool, optional
             Whether reaction rates should be written to the results file.
+        keff_search_root : float
+            The root returned by the keff search control.
         path : PathLike
             Path to file to write. Defaults to 'depletion_results.h5'.
 
@@ -605,6 +625,7 @@ class StepResult:
         results.proc_time = proc_time
         if results.proc_time is not None:
             results.proc_time = comm.reduce(proc_time, op=MPI.SUM)
+        results.keff_search_root = keff_search_root
 
         if not Path(path).is_file():
             Path(path).parent.mkdir(parents=True, exist_ok=True)
diff --git a/tests/regression_tests/deplete_with_keff_search_control/__init__.py b/tests/regression_tests/deplete_with_keff_search_control/__init__.py
new file mode 100644
index 000000000..e69de29bb
diff --git a/tests/regression_tests/deplete_with_keff_search_control/ref_depletion_with_refuel.h5 b/tests/regression_tests/deplete_with_keff_search_control/ref_depletion_with_refuel.h5
new file mode 100644
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diff --git a/tests/regression_tests/deplete_with_keff_search_control/test.py b/tests/regression_tests/deplete_with_keff_search_control/test.py
new file mode 100644
index 000000000..82e601280
--- /dev/null
+++ b/tests/regression_tests/deplete_with_keff_search_control/test.py
@@ -0,0 +1,140 @@
+""" Tests for KeffSearchControl class """
+
+from hmac import new
+from pathlib import Path
+import shutil
+import sys
+
+import pytest
+import numpy as np
+
+import openmc
+import openmc.lib
+from openmc.deplete import CoupledOperator
+
+from tests.regression_tests import config
+
+@pytest.fixture
+def model():
+    f = openmc.Material(name='f')
+    f.set_density('g/cm3', 10.29769)
+    f.add_element('U', 1., enrichment=2.4)
+    f.add_element('O', 2.)
+
+    h = openmc.Material(name='h')
+    h.set_density('g/cm3', 0.001598)
+    h.add_element('He', 2.4044e-4)
+
+    w = openmc.Material(name='w')
+    w.set_density('g/cm3', 0.740582)
+    w.add_element('H', 2)
+    w.add_element('O', 1)
+
+    # Define overall material
+    materials = openmc.Materials([f, h, w])
+
+    # Define surfaces
+    radii = [0.5, 0.8, 1]
+    height = 80
+    surf_in = openmc.ZCylinder(r=radii[0])
+    surf_mid = openmc.ZCylinder(r=radii[1])
+    surf_out = openmc.ZCylinder(r=radii[2], boundary_type='reflective')
+    surf_top = openmc.ZPlane(z0=height/2, boundary_type='vacuum')
+    surf_bot = openmc.ZPlane(z0=-height/2, boundary_type='vacuum')
+
+    surf_trans = openmc.ZPlane(z0=0)
+    surf_rot1 = openmc.XPlane(x0=0)
+    surf_rot2 = openmc.YPlane(y0=0)
+
+    # Define cells
+    cell_f = openmc.Cell(name='fuel_cell', fill=f,
+            region=-surf_in  & -surf_top & +surf_bot)
+    cell_g = openmc.Cell(fill=h,
+            region = +surf_in & -surf_mid & -surf_top & +surf_bot & +surf_rot2)
+
+    # Define unbounded cells for rotation universe
+    cell_w = openmc.Cell(fill=w, region = -surf_rot1)
+    cell_h = openmc.Cell(fill=h, region = +surf_rot1)
+    universe_rot = openmc.Universe(cells=(cell_w, cell_h))
+    cell_rot = openmc.Cell(name="rot_cell", fill=universe_rot,
+            region = +surf_in & -surf_mid & -surf_top & +surf_bot & -surf_rot2)
+
+    # Define unbounded cells for translation universe
+    cell_w = openmc.Cell(fill=w, region=+surf_in  & -surf_trans )
+    cell_h = openmc.Cell(fill=h,  region=+surf_in & +surf_trans)
+    universe_trans = openmc.Universe(cells=(cell_w, cell_h))
+    cell_trans = openmc.Cell(name="trans_cell", fill=universe_trans,
+                          region=+surf_mid & -surf_out & -surf_top & +surf_bot)
+
+    # Define overall geometry
+    geometry = openmc.Geometry([cell_f, cell_g, cell_rot, cell_trans])
+
+    # Set material volume for depletion fuel.
+    f.volume = np.pi * radii[0]**2 * height
+
+    settings = openmc.Settings()
+    settings.particles = 1000
+    settings.inactive = 10
+    settings.batches = 50
+
+    return openmc.Model(geometry, materials, settings)
+
+
+def translate_cell(position):
+    cell_trans = [cell for cell in openmc.lib.cells.values() if cell.name == 'trans_cell'][0]
+    openmc.lib.cells[cell_trans.id].translation = [0, 0, position]
+
+
+def rotate_cell(angle):
+    cell_rot = [cell for cell in openmc.lib.cells.values() if cell.name == 'rot_cell'][0]
+    openmc.lib.cells[cell_rot.id].rotation = [0, 0, angle]
+
+
+def set_u235_density(u235_density):
+    fuel = [material for material in openmc.lib.materials.values()
+            if material.name == 'f'][0]
+    nuclides = openmc.lib.materials[fuel.id].nuclides
+    densities = openmc.lib.materials[fuel.id].densities
+    nuc_idx = nuclides.index('U235')
+    densities[nuc_idx] = u235_density
+    openmc.lib.materials[fuel.id].set_densities(nuclides, densities)
+
+
+@pytest.mark.parametrize("function, x0, x1, bracket, ref_result", [
+    (translate_cell, -11, -5, (-15, 0), 'depletion_with_translation'),
+    (rotate_cell, -80, -50, (-90, 0), 'depletion_with_rotation'),
+    (set_u235_density, 2e-4, 1e-3, (1e-4, 2e-3), 'depletion_with_refuel')
+])
+def test_keff_search_control(run_in_tmpdir, model, function, x0, x1, bracket, ref_result):
+    chain_file = Path(__file__).parents[2] / 'chain_simple.xml'
+    model.settings.verbosity = 1
+    op = CoupledOperator(model, chain_file)
+
+    integrator = openmc.deplete.PredictorIntegrator(
+        op, [1], 174., timestep_units = 'd')
+    integrator.add_keff_search_control(
+        function=function,
+        x0=x0,
+        x1=x1,
+        bracket=bracket,
+        output=True,
+        k_tol=0.1,
+        sigma_final=5e-2)
+
+    integrator.integrate()
+
+    # Get path to test and reference results
+    path_test = op.output_dir / 'depletion_results.h5'
+    path_reference = Path(__file__).with_name(f'ref_{ref_result}.h5')
+
+    # If updating results, do so and return
+    if config['update']:
+        shutil.copyfile(str(path_test), str(path_reference))
+        return
+
+    # Load the reference/test results
+    res_test = openmc.deplete.Results(path_test)
+    res_ref = openmc.deplete.Results(path_reference)
+
+    # Use high tolerance here
+    assert res_test[0].keff_search_root == pytest.approx(res_ref[0].keff_search_root, rel=2)
diff --git a/tests/unit_tests/test_deplete_keff_search_control.py b/tests/unit_tests/test_deplete_keff_search_control.py
new file mode 100644
index 000000000..425b8f840
--- /dev/null
+++ b/tests/unit_tests/test_deplete_keff_search_control.py
@@ -0,0 +1,116 @@
+""" Tests for KeffSearchControl class """
+
+from pathlib import Path
+
+import pytest
+import numpy as np
+
+import openmc
+import openmc.lib
+from openmc.deplete import CoupledOperator
+
+CHAIN_PATH = Path(__file__).parents[1] / "chain_simple.xml"
+
+
+def make_model():
+    f = openmc.Material(name="fuel")
+    f.add_element("U", 1, percent_type="ao", enrichment=4.25)
+    f.add_element("O", 2)
+    f.set_density("g/cc", 10.4)
+    f.temperature = 293.15
+
+    w = openmc.Material(name="water")
+    w.add_element("O", 1)
+    w.add_element("H", 2)
+    w.set_density("g/cc", 1.0)
+    w.temperature = 293.15
+    w.depletable = True
+
+    h = openmc.Material(name='helium')
+    h.add_element('He', 1)
+    h.set_density('g/cm3', 0.001598)
+
+    radii = [0.42, 0.45]
+    height = 0.5
+
+    f.volume = np.pi * radii[0] ** 2 * height
+    w.volume = np.pi * (radii[1]**2 - radii[0]**2) * height/2
+
+    materials = openmc.Materials([f, w, h])
+
+    surf_interface = openmc.ZPlane(z0=0)
+    surf_top = openmc.ZPlane(z0=height/2)
+    surf_bot = openmc.ZPlane(z0=-height/2)
+    surf_in = openmc.Sphere(r=radii[0])
+    surf_out = openmc.Sphere(r=radii[1], boundary_type='vacuum')
+
+    cell_water = openmc.Cell(fill=w, region=-surf_interface)
+    cell_helium = openmc.Cell(fill=h, region=+surf_interface)
+    universe = openmc.Universe(cells=(cell_water, cell_helium))
+    cell_fuel = openmc.Cell(name='fuel_cell', fill=f,
+                            region=-surf_in & -surf_top & +surf_bot)
+    cell_universe = openmc.Cell(name='universe_cell',fill=universe,
+                            region=+surf_in & -surf_out & -surf_top & +surf_bot)
+    geometry = openmc.Geometry([cell_fuel, cell_universe])
+
+    settings = openmc.Settings()
+    settings.particles = 1000
+    settings.inactive = 10
+    settings.batches = 50
+
+    return openmc.Model(geometry, materials, settings)
+
+
+def translate_cell(position):
+    """Helper function to translate a cell"""
+    cell = [c for c in openmc.lib.cells.values() if c.name == 'universe_cell'][0]
+    openmc.lib.cells[cell.id].translation = [0, 0, position]
+    return position
+
+
+def rotate_cell(angle):
+    """Helper function to rotate a cell"""
+    cell = [c for c in openmc.lib.cells.values() if c.name == 'universe_cell'][0]
+    openmc.lib.cells[cell.id].rotation = [0, 0, angle]
+    return angle
+
+
+def set_u235_density(u235_density):
+    """Helper function to set the U235 density directly"""
+    fuel = [m for m in openmc.lib.materials.values() if m.name == 'fuel'][0]
+    nuclides = openmc.lib.materials[fuel.id].nuclides
+    densities = openmc.lib.materials[fuel.id].densities
+    u235_idx = nuclides.index('U235')
+    densities[u235_idx] = u235_density
+    openmc.lib.materials[fuel.id].set_densities(nuclides, densities)
+    return u235_density
+
+
+@pytest.mark.parametrize("function, x0, x1, bracket", [
+    (translate_cell, -1.0, 1.0, (-5.0, 5.0)),
+    (rotate_cell, -45.0, 45.0, (-90.0, 90.0)),
+    (set_u235_density, 0.8, 1.2, (0.5, 1.5))
+])
+def test_integrator_add_keff_search_control(run_in_tmpdir, function, x0, x1, bracket):
+    """Test adding add_keff_search_control to integrator"""
+    model = make_model()
+    operator = CoupledOperator(model, CHAIN_PATH)
+    integrator = openmc.deplete.PredictorIntegrator(
+        operator, [1, 1], 0.0, timestep_units='d')
+
+    integrator.add_keff_search_control(
+        function=function,
+        x0=x0,
+        x1=x1,
+        bracket=bracket,
+        k_tol=0.1,
+        output=False,
+    )
+
+    assert integrator._keff_search_control.x0 == x0
+    assert integrator._keff_search_control.x1 == x1
+    assert integrator._keff_search_control.function == function
+    assert integrator._keff_search_control.search_kwargs['x_min'] == bracket[0]
+    assert integrator._keff_search_control.search_kwargs['x_max'] == bracket[1]
+    assert integrator._keff_search_control.search_kwargs['k_tol'] == 0.1
+    assert not integrator._keff_search_control.search_kwargs['output']

From a1df5842e048f070544e1f79a9a6979862c8eaa2 Mon Sep 17 00:00:00 2001
From: Ethan Peterson <ethan.peterson@mit.edu>
Date: Tue, 21 Apr 2026 12:47:40 -0400
Subject: [PATCH 2594/2654] Remove self loops from spontaneous fission decay
 mode (#3907)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/data/decay.py    | 10 +++++-----
 openmc/deplete/chain.py | 15 +++++++++------
 2 files changed, 14 insertions(+), 11 deletions(-)

diff --git a/openmc/data/decay.py b/openmc/data/decay.py
index 7cd4bf43d..ce20a252c 100644
--- a/openmc/data/decay.py
+++ b/openmc/data/decay.py
@@ -2,7 +2,6 @@ from collections.abc import Iterable
 from functools import cached_property
 from io import StringIO
 from math import log
-import re
 from warnings import warn
 
 import numpy as np
@@ -13,7 +12,7 @@ import openmc.checkvalue as cv
 from openmc.exceptions import DataError
 from openmc.mixin import EqualityMixin
 from openmc.stats import Discrete, Tabular, Univariate, combine_distributions
-from .data import ATOMIC_NUMBER, gnds_name
+from .data import gnds_name, zam
 from .function import INTERPOLATION_SCHEME
 from .endf import Evaluation, get_head_record, get_list_record, get_tab1_record
 
@@ -241,9 +240,7 @@ class DecayMode(EqualityMixin):
     @property
     def daughter(self):
         # Determine atomic number and mass number of parent
-        symbol, A = re.match(r'([A-Zn][a-z]*)(\d+)', self.parent).groups()
-        A = int(A)
-        Z = ATOMIC_NUMBER[symbol]
+        Z, A, _ = zam(self.parent)
 
         # Process changes
         for mode in self.modes:
@@ -253,6 +250,9 @@ class DecayMode(EqualityMixin):
                         delta_A, delta_Z = changes
                         A += delta_A
                         Z += delta_Z
+                        break
+                    else:
+                        return None
 
         return gnds_name(Z, A, self._daughter_state)
 
diff --git a/openmc/deplete/chain.py b/openmc/deplete/chain.py
index 97ec8d961..42d4ab07e 100644
--- a/openmc/deplete/chain.py
+++ b/openmc/deplete/chain.py
@@ -413,6 +413,8 @@ class Chain:
                     type_ = ','.join(mode.modes)
                     if mode.daughter in decay_data:
                         target = mode.daughter
+                    elif 'sf' in type_:
+                        target = None
                     else:
                         print('missing {} {} {}'.format(
                             parent, type_, mode.daughter))
@@ -641,7 +643,7 @@ class Chain:
 
                         # Allow for total annihilation for debug purposes
                         if branch_val != 0.0:
-                            if target is not None:
+                            if target is not None and 'sf' not in decay_type:
                                 k = self.nuclide_dict[target]
                                 setval(k, i, branch_val)
 
@@ -731,11 +733,12 @@ class Chain:
 
                     # Determine light nuclide production, e.g., (n,d) should
                     # produce H2
-                    light_nucs = REACTIONS[r_type].secondaries
-                    for light_nuc in light_nucs:
-                        k = self.nuclide_dict.get(light_nuc)
-                        if k is not None:
-                            setval(k, i, path_rate * br)
+                    if path_rate != 0.0:
+                        light_nucs = REACTIONS[r_type].secondaries
+                        for light_nuc in light_nucs:
+                            k = self.nuclide_dict.get(light_nuc)
+                            if k is not None:
+                                setval(k, i, path_rate * br)
 
                 else:
                     for product, y in fission_yields[nuc.name].items():

From 1f7ac4215f45dc0c88a36240230cf16d7cb4cc5b Mon Sep 17 00:00:00 2001
From: Perry <100789850+yrrepy@users.noreply.github.com>
Date: Tue, 21 Apr 2026 13:24:53 -0700
Subject: [PATCH 2595/2654] Clip negative atom densities that result from CRAM
 (#3879)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/deplete/abc.py   | 5 +++++
 tests/dummy_operator.py | 2 +-
 2 files changed, 6 insertions(+), 1 deletion(-)

diff --git a/openmc/deplete/abc.py b/openmc/deplete/abc.py
index 80d8474ec..d2926ba7e 100644
--- a/openmc/deplete/abc.py
+++ b/openmc/deplete/abc.py
@@ -738,6 +738,11 @@ class Integrator(ABC):
         results = deplete(
             self._solver, self.chain, n, rates, dt, i, matrix_func,
             self.transfer_rates, self.external_source_rates)
+
+        # Clip unphysical negative number densities
+        for r in results:
+            r.clip(min=0.0, out=r)
+
         return time.time() - start, results
 
     @abstractmethod
diff --git a/tests/dummy_operator.py b/tests/dummy_operator.py
index 9595765d7..873633525 100644
--- a/tests/dummy_operator.py
+++ b/tests/dummy_operator.py
@@ -24,7 +24,7 @@ DepletionSolutionTuple = namedtuple(
 
 predictor_solution = DepletionSolutionTuple(
     PredictorIntegrator, np.array([1.0, 2.46847546272295, 4.11525874568034]),
-    np.array([1.0, 0.986431226850467, -0.0581692232513460]))
+    np.array([1.0, 0.986431226850467, 0.0]))
 
 
 cecm_solution = DepletionSolutionTuple(

From 2d5c50080cff21001ea88e61adeb4e2e916ab563 Mon Sep 17 00:00:00 2001
From: Perry <100789850+yrrepy@users.noreply.github.com>
Date: Wed, 22 Apr 2026 16:24:34 -0700
Subject: [PATCH 2596/2654] Allow the use of substeps for CRAM (#3908)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/deplete/abc.py                       | 160 ++++++++++++--------
 openmc/deplete/cram.py                      |  38 ++++-
 openmc/deplete/pool.py                      |  11 +-
 tests/unit_tests/test_deplete_cram.py       |  69 ++++++++-
 tests/unit_tests/test_deplete_integrator.py |  92 ++++++++++-
 5 files changed, 288 insertions(+), 82 deletions(-)

diff --git a/openmc/deplete/abc.py b/openmc/deplete/abc.py
index d2926ba7e..66bd7148d 100644
--- a/openmc/deplete/abc.py
+++ b/openmc/deplete/abc.py
@@ -541,17 +541,15 @@ class Integrator(ABC):
         iterable of float. Alternatively, units can be specified for each step
         by passing an iterable of (value, unit) tuples.
     power : float or iterable of float, optional
-        Power of the reactor in [W]. A single value indicates that
-        the power is constant over all timesteps. An iterable
-        indicates potentially different power levels for each timestep.
-        For a 2D problem, the power can be given in [W/cm] as long
-        as the "volume" assigned to a depletion material is actually
-        an area in [cm^2]. Either ``power``, ``power_density``, or
+        Power of the reactor in [W]. A single value indicates that the power is
+        constant over all timesteps. An iterable indicates potentially different
+        power levels for each timestep. For a 2D problem, the power can be given
+        in [W/cm] as long as the "volume" assigned to a depletion material is
+        actually an area in [cm^2]. Either ``power``, ``power_density``, or
         ``source_rates`` must be specified.
     power_density : float or iterable of float, optional
-        Power density of the reactor in [W/gHM]. It is multiplied by
-        initial heavy metal inventory to get total power if ``power``
-        is not specified.
+        Power density of the reactor in [W/gHM]. It is multiplied by initial
+        heavy metal inventory to get total power if ``power`` is not specified.
     source_rates : float or iterable of float, optional
         Source rate in [neutron/sec] or neutron flux in [neutron/s-cm^2] for
         each interval in :attr:`timesteps`
@@ -563,8 +561,8 @@ class Integrator(ABC):
         and 'MWd/kg' indicates that the values are given in burnup (MW-d of
         energy deposited per kilogram of initial heavy metal).
     solver : str or callable, optional
-        If a string, must be the name of the solver responsible for
-        solving the Bateman equations.  Current options are:
+        If a string, must be the name of the solver responsible for solving the
+        Bateman equations.  Current options are:
 
             * ``cram16`` - 16th order IPF CRAM
             * ``cram48`` - 48th order IPF CRAM [default]
@@ -573,15 +571,22 @@ class Integrator(ABC):
         :attr:`solver`.
 
         .. versionadded:: 0.12
+    substeps : int, optional
+        Number of substeps per depletion interval. When greater than 1, each
+        interval is subdivided into `substeps` identical sub-intervals and LU
+        factorizations may be reused across them, improving accuracy for
+        nuclides with large decay-constant × timestep products.
+
+        .. versionadded:: 0.15.4
     continue_timesteps : bool, optional
         Whether or not to treat the current solve as a continuation of a
         previous simulation. Defaults to `False`. When `False`, the depletion
         steps provided are appended to any previous steps. If `True`, the
-        timesteps provided to the `Integrator` must exacly match any that
-        exist in the `prev_results` passed to the `Operator`. The `power`,
-        `power_density`, or `source_rates` must match as well. The
-        method of specifying `power`, `power_density`, or
-        `source_rates` should be the same as the initial run.
+        timesteps provided to the `Integrator` must exacly match any that exist
+        in the `prev_results` passed to the `Operator`. The `power`,
+        `power_density`, or `source_rates` must match as well. The method of
+        specifying `power`, `power_density`, or `source_rates` should be the
+        same as the initial run.
 
         .. versionadded:: 0.15.1
 
@@ -601,15 +606,19 @@ class Integrator(ABC):
         :math:`\frac{\partial}{\partial t}\vec{n} = A_i\vec{n}_i` with a step
         size :math:`t_i`. Can be configured using the ``solver`` argument.
         User-supplied functions are expected to have the following signature:
-        ``solver(A, n0, t) -> n1`` where
+        ``solver(A, n0, t, substeps=1) -> n1``, where
 
-            * ``A`` is a :class:`scipy.sparse.csc_array` making up the
-              depletion matrix
-            * ``n0`` is a 1-D :class:`numpy.ndarray` of initial compositions
-              for a given material in atoms/cm3
-            * ``t`` is a float of the time step size in seconds, and
-            * ``n1`` is a :class:`numpy.ndarray` of compositions at the
-              next time step. Expected to be of the same shape as ``n0``
+            * ``A`` is a :class:`scipy.sparse.csc_array` making up the depletion
+              matrix
+            * ``n0`` is a 1-D :class:`numpy.ndarray` of initial compositions for
+              a given material in atoms/cm3
+            * ``t`` is a float of the time step size in seconds
+            * ``substeps`` is an optional integer number of substeps, and
+            * ``n1`` is a :class:`numpy.ndarray` of compositions at the next
+              time step. Expected to be of the same shape as ``n0``
+
+        Solvers that do not support multiple substeps should raise an exception
+        when ``substeps > 1``.
 
     transfer_rates : openmc.deplete.TransferRates
         Transfer rates for the depletion system used to model continuous
@@ -632,6 +641,7 @@ class Integrator(ABC):
             source_rates: Optional[Union[float, Sequence[float]]] = None,
             timestep_units: str = 's',
             solver: str = "cram48",
+            substeps: int = 1,
             continue_timesteps: bool = False,
         ):
         if continue_timesteps and operator.prev_res is None:
@@ -653,6 +663,8 @@ class Integrator(ABC):
         # Normalize timesteps and source rates
         seconds, source_rates = _normalize_timesteps(
             timesteps, source_rates, timestep_units, operator)
+        check_type("substeps", substeps, Integral)
+        check_greater_than("substeps", substeps, 0)
 
         if continue_timesteps:
             # Get timesteps and source rates from previous results
@@ -684,6 +696,7 @@ class Integrator(ABC):
 
         self.timesteps = np.asarray(seconds)
         self.source_rates = np.asarray(source_rates)
+        self.substeps = substeps
 
         self.transfer_rates = None
         self.external_source_rates = None
@@ -721,23 +734,32 @@ class Integrator(ABC):
             self._solver = func
             return
 
-        # Inspect arguments
-        if len(sig.parameters) != 3:
-            raise ValueError("Function {} does not support three arguments: "
-                             "{!s}".format(func, sig))
+        params = list(sig.parameters.values())
 
-        for ix, param in enumerate(sig.parameters.values()):
-            if param.kind in {param.KEYWORD_ONLY, param.VAR_KEYWORD}:
+        # Inspect arguments
+        if len(params) != 4:
+            raise ValueError(
+                "Function {} must support four arguments "
+                "(A, n0, t, substeps=1): {!s}"
+                .format(func, sig))
+
+        for ix, param in enumerate(params):
+            if param.kind in {param.KEYWORD_ONLY, param.VAR_KEYWORD,
+                              param.VAR_POSITIONAL}:
                 raise ValueError(
                     f"Keyword arguments like {ix} at position {param} are not allowed")
 
+        if len(params) == 4 and params[3].default != 1:
+            raise ValueError(
+                f"Fourth solver argument must default to 1, not {params[3].default}")
+
         self._solver = func
 
     def _timed_deplete(self, n, rates, dt, i=None, matrix_func=None):
         start = time.time()
         results = deplete(
             self._solver, self.chain, n, rates, dt, i, matrix_func,
-            self.transfer_rates, self.external_source_rates)
+            self.transfer_rates, self.external_source_rates, self.substeps)
 
         # Clip unphysical negative number densities
         for r in results:
@@ -1205,17 +1227,15 @@ class SIIntegrator(Integrator):
         iterable of float. Alternatively, units can be specified for each step
         by passing an iterable of (value, unit) tuples.
     power : float or iterable of float, optional
-        Power of the reactor in [W]. A single value indicates that
-        the power is constant over all timesteps. An iterable
-        indicates potentially different power levels for each timestep.
-        For a 2D problem, the power can be given in [W/cm] as long
-        as the "volume" assigned to a depletion material is actually
-        an area in [cm^2]. Either ``power``, ``power_density``, or
+        Power of the reactor in [W]. A single value indicates that the power is
+        constant over all timesteps. An iterable indicates potentially different
+        power levels for each timestep. For a 2D problem, the power can be given
+        in [W/cm] as long as the "volume" assigned to a depletion material is
+        actually an area in [cm^2]. Either ``power``, ``power_density``, or
         ``source_rates`` must be specified.
     power_density : float or iterable of float, optional
-        Power density of the reactor in [W/gHM]. It is multiplied by
-        initial heavy metal inventory to get total power if ``power``
-        is not specified.
+        Power density of the reactor in [W/gHM]. It is multiplied by initial
+        heavy metal inventory to get total power if ``power`` is not specified.
     source_rates : float or iterable of float, optional
         Source rate in [neutron/sec] or neutron flux in [neutron/s-cm^2] for
         each interval in :attr:`timesteps`
@@ -1227,11 +1247,11 @@ class SIIntegrator(Integrator):
         that the values are given in burnup (MW-d of energy deposited per
         kilogram of initial heavy metal).
     n_steps : int, optional
-        Number of stochastic iterations per depletion interval.
-        Must be greater than zero. Default : 10
+        Number of stochastic iterations per depletion interval. Must be greater
+        than zero. Default : 10
     solver : str or callable, optional
-        If a string, must be the name of the solver responsible for
-        solving the Bateman equations.  Current options are:
+        If a string, must be the name of the solver responsible for solving the
+        Bateman equations.  Current options are:
 
             * ``cram16`` - 16th order IPF CRAM
             * ``cram48`` - 48th order IPF CRAM [default]
@@ -1240,16 +1260,23 @@ class SIIntegrator(Integrator):
         :attr:`solver`.
 
         .. versionadded:: 0.12
+    substeps : int, optional
+        Number of substeps per depletion interval. When greater than 1, each
+        interval is subdivided into `substeps` identical sub-intervals and LU
+        factorizations may be reused across them, improving accuracy for
+        nuclides with large decay-constant × timestep products.
+
+        .. versionadded:: 0.15.4
     continue_timesteps : bool, optional
         Whether or not to treat the current solve as a continuation of a
-        previous simulation. Defaults to `False`. If `False`, all time
-        steps and source rates will be run in an append fashion and will run
-        after whatever time steps exist, if any. If `True`, the timesteps
-        provided to the `Integrator` must match exactly those that exist
-        in the `prev_results` passed to the `Opereator`. The `power`,
-        `power_density`, or `source_rates` must match as well. The
-        method of specifying `power`, `power_density`, or
-        `source_rates` should be the same as the initial run.
+        previous simulation. Defaults to `False`. If `False`, all time steps and
+        source rates will be run in an append fashion and will run after
+        whatever time steps exist, if any. If `True`, the timesteps provided to
+        the `Integrator` must match exactly those that exist in the
+        `prev_results` passed to the `Opereator`. The `power`, `power_density`,
+        or `source_rates` must match as well. The method of specifying `power`,
+        `power_density`, or `source_rates` should be the same as the initial
+        run.
 
         .. versionadded:: 0.15.1
 
@@ -1270,15 +1297,19 @@ class SIIntegrator(Integrator):
         :math:`\frac{\partial}{\partial t}\vec{n} = A_i\vec{n}_i` with a step
         size :math:`t_i`. Can be configured using the ``solver`` argument.
         User-supplied functions are expected to have the following signature:
-        ``solver(A, n0, t) -> n1`` where
+        ``solver(A, n0, t, substeps=1) -> n1``, where
 
-            * ``A`` is a :class:`scipy.sparse.csc_array` making up the
-              depletion matrix
-            * ``n0`` is a 1-D :class:`numpy.ndarray` of initial compositions
-              for a given material in atoms/cm3
-            * ``t`` is a float of the time step size in seconds, and
-            * ``n1`` is a :class:`numpy.ndarray` of compositions at the
-              next time step. Expected to be of the same shape as ``n0``
+            * ``A`` is a :class:`scipy.sparse.csc_array` making up the depletion
+              matrix
+            * ``n0`` is a 1-D :class:`numpy.ndarray` of initial compositions for
+              a given material in atoms/cm3
+            * ``t`` is a float of the time step size in seconds
+            * ``substeps`` is an optional integer number of substeps, and
+            * ``n1`` is a :class:`numpy.ndarray` of compositions at the next
+              time step. Expected to be of the same shape as ``n0``
+
+        Solvers that do not support multiple substeps should raise an exception
+        when ``substeps > 1``.
 
         .. versionadded:: 0.12
 
@@ -1294,13 +1325,16 @@ class SIIntegrator(Integrator):
             timestep_units: str = 's',
             n_steps: int = 10,
             solver: str = "cram48",
+            substeps: int = 1,
             continue_timesteps: bool = False,
         ):
         check_type("n_steps", n_steps, Integral)
         check_greater_than("n_steps", n_steps, 0)
         super().__init__(
             operator, timesteps, power, power_density, source_rates,
-            timestep_units=timestep_units, solver=solver, continue_timesteps=continue_timesteps)
+            timestep_units=timestep_units, solver=solver,
+            substeps=substeps,
+            continue_timesteps=continue_timesteps)
         self.n_steps = n_steps
 
     def _get_bos_data_from_operator(self, step_index, step_power, n_bos):
@@ -1430,7 +1464,7 @@ class DepSystemSolver(ABC):
     """
 
     @abstractmethod
-    def __call__(self, A, n0, dt):
+    def __call__(self, A, n0, dt, substeps=1):
         """Solve the linear system of equations for depletion
 
         Parameters
@@ -1443,6 +1477,8 @@ class DepSystemSolver(ABC):
             material or an atom density
         dt : float
             Time [s] of the specific interval to be solved
+        substeps : int, optional
+            Number of substeps to use when the solver supports substepping.
 
         Returns
         -------
diff --git a/openmc/deplete/cram.py b/openmc/deplete/cram.py
index cecc388f4..3594ffbe8 100644
--- a/openmc/deplete/cram.py
+++ b/openmc/deplete/cram.py
@@ -3,12 +3,13 @@
 Implements two different forms of CRAM for use in openmc.deplete.
 """
 
+from functools import partial
 import numbers
 
 import numpy as np
-import scipy.sparse.linalg as sla
+from scipy.sparse.linalg import spsolve, splu
 
-from openmc.checkvalue import check_type, check_length
+from openmc.checkvalue import check_type, check_length, check_greater_than
 from .abc import DepSystemSolver
 from .._sparse_compat import csc_array, eye_array
 
@@ -24,6 +25,12 @@ class IPFCramSolver(DepSystemSolver):
     Chebyshev Rational Approximation Method and Application to Burnup Equations
     <https://doi.org/10.13182/NSE15-26>`_," Nucl. Sci. Eng., 182:3, 297-318.
 
+    When `substeps` > 1, the time interval is split into `substeps` identical
+    sub-intervals and LU factorizations are reused across them, as described
+    in: A. Isotalo and M. Pusa, "`Improving the Accuracy of the Chebyshev
+    Rational Approximation Method Using Substeps
+    <https://doi.org/10.13182/NSE15-67>`_," Nucl. Sci. Eng., 183:1, 65-77.
+
     Parameters
     ----------
     alpha : numpy.ndarray
@@ -55,7 +62,7 @@ class IPFCramSolver(DepSystemSolver):
         self.theta = theta
         self.alpha0 = alpha0
 
-    def __call__(self, A, n0, dt):
+    def __call__(self, A, n0, dt, substeps=1):
         """Solve depletion equations using IPF CRAM
 
         Parameters
@@ -68,6 +75,8 @@ class IPFCramSolver(DepSystemSolver):
             material or an atom density
         dt : float
             Time [s] of the specific interval to be solved
+        substeps : int, optional
+            Number of substeps per depletion interval.
 
         Returns
         -------
@@ -75,12 +84,25 @@ class IPFCramSolver(DepSystemSolver):
             Final compositions after ``dt``
 
         """
-        A = dt * csc_array(A, dtype=np.float64)
-        y = n0.copy()
+        check_type("substeps", substeps, numbers.Integral)
+        check_greater_than("substeps", substeps, 0)
+
+        step_dt = dt if substeps == 1 else dt / substeps
+        A = step_dt * csc_array(A, dtype=np.float64)
         ident = eye_array(A.shape[0], format='csc')
-        for alpha, theta in zip(self.alpha, self.theta):
-            y += 2*np.real(alpha*sla.spsolve(A - theta*ident, y))
-        return y * self.alpha0
+
+        if substeps == 1:
+            solvers = [partial(spsolve, A - theta * ident) for theta in self.theta]
+        else:
+            # Pre-compute LU factorizations and reuse them across substeps.
+            solvers = [splu(A - theta * ident).solve for theta in self.theta]
+
+        y = n0.copy()
+        for _ in range(substeps):
+            for alpha, solve in zip(self.alpha, solvers):
+                y += 2 * np.real(alpha * solve(y))
+            y *= self.alpha0
+        return y
 
 
 # Coefficients for IPF Cram 16
diff --git a/openmc/deplete/pool.py b/openmc/deplete/pool.py
index 58f90894b..19ad0ada5 100644
--- a/openmc/deplete/pool.py
+++ b/openmc/deplete/pool.py
@@ -42,14 +42,15 @@ def _distribute(items):
         j += chunk_size
 
 def deplete(func, chain, n, rates, dt, current_timestep=None, matrix_func=None,
-            transfer_rates=None, external_source_rates=None, *matrix_args):
+            transfer_rates=None, external_source_rates=None, substeps=1,
+            *matrix_args):
     """Deplete materials using given reaction rates for a specified time
 
     Parameters
     ----------
     func : callable
         Function to use to get new compositions. Expected to have the signature
-        ``func(A, n0, t) -> n1``
+        ``func(A, n0, t, substeps=1) -> n1``.
     chain : openmc.deplete.Chain
         Depletion chain
     n : list of numpy.ndarray
@@ -74,6 +75,8 @@ def deplete(func, chain, n, rates, dt, current_timestep=None, matrix_func=None,
         External source rates for continuous removal/feed.
 
         .. versionadded:: 0.15.3
+    substeps : int, optional
+        Number of substeps to pass to solvers that support substepping.
     matrix_args: Any, optional
         Additional arguments passed to matrix_func
 
@@ -164,7 +167,7 @@ def deplete(func, chain, n, rates, dt, current_timestep=None, matrix_func=None,
 
                 # Concatenate vectors of nuclides in one
                 n_multi = np.concatenate(n)
-                n_result = func(matrix, n_multi, dt)
+                n_result = func(matrix, n_multi, dt, substeps)
 
                 # Split back the nuclide vector result into the original form
                 n_result = np.split(n_result, np.cumsum([len(i) for i in n])[:-1])
@@ -198,7 +201,7 @@ def deplete(func, chain, n, rates, dt, current_timestep=None, matrix_func=None,
                 matrix.resize(matrix.shape[1], matrix.shape[1])
                 n[i] = np.append(n[i], 1.0)
 
-    inputs = zip(matrices, n, repeat(dt))
+    inputs = zip(matrices, n, repeat(dt), repeat(substeps))
 
     if USE_MULTIPROCESSING:
         with Pool(NUM_PROCESSES) as pool:
diff --git a/tests/unit_tests/test_deplete_cram.py b/tests/unit_tests/test_deplete_cram.py
index 8987fbd7a..64cff3a8b 100644
--- a/tests/unit_tests/test_deplete_cram.py
+++ b/tests/unit_tests/test_deplete_cram.py
@@ -1,12 +1,15 @@
-""" Tests for cram.py
+"""Tests for cram.py.
 
 Compares a few Mathematica matrix exponentials to CRAM16/CRAM48.
+Tests substep accuracy against self-converged reference solutions.
 """
 
-from pytest import approx
 import numpy as np
+import pytest
 import scipy.sparse as sp
-from openmc.deplete.cram import CRAM16, CRAM48
+from pytest import approx
+from openmc.deplete.cram import (CRAM16, CRAM48, Cram16Solver, Cram48Solver,
+                                  IPFCramSolver)
 
 
 def test_CRAM16():
@@ -35,3 +38,63 @@ def test_CRAM48():
     z0 = np.array((0.904837418035960, 0.576799023327476))
 
     assert z == approx(z0)
+
+
+def test_substeps1_matches_original():
+    """substeps=1 must be bitwise identical to original spsolve path."""
+    x = np.array([1.0, 1.0])
+    mat = sp.csr_matrix([[-1.0, 0.0], [-2.0, -3.0]])
+    dt = 0.1
+
+    z_orig = CRAM48(mat, x, dt)
+    z_sub1 = CRAM48(mat, x, dt, substeps=1)
+
+    np.testing.assert_array_equal(z_sub1, z_orig)
+
+
+def test_substeps2_matches_two_half_steps():
+    """substeps=2 must match two independent CRAM calls with dt/2."""
+    x = np.array([1.0, 1.0])
+    mat = sp.csr_matrix([[-1.0, 0.0], [-2.0, -3.0]])
+    dt = 1.0
+
+    # Two manual half-steps using original spsolve path
+    z_half = CRAM48(mat, x, dt / 2)
+    z_two = CRAM48(mat, z_half, dt / 2)
+
+    # Single call with substeps=2
+    z_sub2 = CRAM48(mat, x, dt, substeps=2)
+
+    assert z_sub2 == approx(z_two, rel=1e-12)
+
+
+@pytest.mark.parametrize("substeps", [0, -1])
+def test_invalid_substeps(substeps):
+    """substeps must be a positive integer at call time."""
+    x = np.array([1.0, 1.0])
+    mat = sp.csr_matrix([[-1.0, 0.0], [-2.0, -3.0]])
+
+    with pytest.raises(ValueError, match="substeps"):
+        CRAM48(mat, x, 0.1, substeps=substeps)
+
+
+def test_substeps_self_convergence():
+    """Increasing substeps converges toward reference solution.
+
+    Uses CRAM16 (alpha0 ~ 2e-16) where substep convergence is visible.
+    CRAM48 (alpha0 ~ 2e-47) is already near machine precision for small
+    systems; its correctness is verified by the other substep tests.
+    """
+    mat = sp.csr_matrix([[-1.0, 0.0], [-2.0, -3.0]])
+    x = np.array([1.0, 1.0])
+    dt = 50  # lambda*dt = 50 and 150, stresses CRAM16
+
+    n_ref = CRAM16(mat, x, dt, substeps=128)
+
+    prev_err = np.inf
+    for s in [1, 2, 4, 8, 16]:
+        n_s = CRAM16(mat, x, dt, substeps=s)
+        err = np.linalg.norm(n_s - n_ref) / np.linalg.norm(n_ref)
+        assert err < prev_err, \
+            f"substeps={s} error {err:.2e} not less than previous {prev_err:.2e}"
+        prev_err = err
diff --git a/tests/unit_tests/test_deplete_integrator.py b/tests/unit_tests/test_deplete_integrator.py
index 558cb434b..ec886e707 100644
--- a/tests/unit_tests/test_deplete_integrator.py
+++ b/tests/unit_tests/test_deplete_integrator.py
@@ -19,7 +19,7 @@ from openmc.mpi import comm
 from openmc.deplete import (
     ReactionRates, StepResult, Results, OperatorResult, PredictorIntegrator,
     CECMIntegrator, CF4Integrator, CELIIntegrator, EPCRK4Integrator,
-    LEQIIntegrator, SICELIIntegrator, SILEQIIntegrator, cram)
+    LEQIIntegrator, SICELIIntegrator, SILEQIIntegrator, cram, pool)
 
 from tests import dummy_operator
 
@@ -183,18 +183,42 @@ def test_bad_integrator_inputs():
     with pytest.raises(TypeError, match=".*callable.*NoneType"):
         PredictorIntegrator(op, timesteps, power=1, solver=None)
 
-    with pytest.raises(ValueError, match=".*arguments"):
+    with pytest.raises(ValueError, match="four arguments"):
         PredictorIntegrator(op, timesteps, power=1, solver=mock_bad_solver_nargs)
 
+    with pytest.raises(ValueError, match="default to 1"):
+        PredictorIntegrator(op, timesteps, power=1,
+                            solver=mock_bad_solver_fourth_required)
 
-def mock_good_solver(A, n, t):
-    pass
+    with pytest.raises(ValueError, match="substeps"):
+        PredictorIntegrator(op, timesteps, power=1, substeps=0)
+
+    with pytest.raises(ValueError, match="substeps"):
+        PredictorIntegrator(op, timesteps, power=1, substeps=-1)
+
+
+def mock_good_solver(A, n, t, substeps=1):
+    return n.copy()
+
+
+def mock_good_solver_substeps(A, n, t, substeps=1):
+    return n + substeps
+
+
+def mock_unsupported_substeps_solver(A, n, t, substeps=1):
+    if substeps > 1:
+        raise NotImplementedError("substeps > 1 not supported")
+    return n.copy()
 
 
 def mock_bad_solver_nargs(A, n):
     pass
 
 
+def mock_bad_solver_fourth_required(A, n, t, substeps):
+    pass
+
+
 @pytest.mark.parametrize("scheme", dummy_operator.SCHEMES)
 def test_integrator(run_in_tmpdir, scheme):
     """Test the integrators against their expected values"""
@@ -226,13 +250,71 @@ def test_integrator(run_in_tmpdir, scheme):
     integrator = bundle.solver(operator, [0.75], 1, solver="cram16")
     assert integrator.solver is cram.CRAM16
 
+    integrator = bundle.solver(operator, [0.75], 1, solver=cram.Cram48Solver,
+                               substeps=2)
+    assert integrator.solver is cram.Cram48Solver
+    assert integrator.substeps == 2
+
     integrator.solver = mock_good_solver
     assert integrator.solver is mock_good_solver
 
-    lfunc = lambda A, n, t: mock_good_solver(A, n, t)
+    lfunc = lambda A, n, t, substeps=1: mock_good_solver(A, n, t, substeps)
     integrator.solver = lfunc
     assert integrator.solver is lfunc
 
+    integrator.solver = mock_good_solver_substeps
+    assert integrator.solver is mock_good_solver_substeps
+
+
+def test_custom_solver_with_default_substeps(monkeypatch):
+    operator = dummy_operator.DummyOperator()
+    n = operator.initial_condition()
+    rates = operator(n, 1.0).rates
+    integrator = PredictorIntegrator(
+        operator, [0.75], power=1.0, solver=mock_good_solver)
+    monkeypatch.setattr(pool, "USE_MULTIPROCESSING", False)
+
+    _, result = integrator._timed_deplete(n, rates, 0.75)
+
+    np.testing.assert_array_equal(result[0], n[0])
+
+
+def test_substep_aware_custom_solver_receives_substeps(monkeypatch):
+    operator = dummy_operator.DummyOperator()
+    n = operator.initial_condition()
+    rates = operator(n, 1.0).rates
+    integrator = PredictorIntegrator(
+        operator, [0.75], power=1.0, solver=mock_good_solver_substeps,
+        substeps=3)
+    monkeypatch.setattr(pool, "USE_MULTIPROCESSING", False)
+
+    _, result = integrator._timed_deplete(n, rates, 0.75)
+
+    np.testing.assert_array_equal(result[0], n[0] + 3)
+
+
+def test_custom_solver_propagates_substeps_error(monkeypatch):
+    operator = dummy_operator.DummyOperator()
+    n = operator.initial_condition()
+    rates = operator(n, 1.0).rates
+    integrator = PredictorIntegrator(
+        operator, [0.75], power=1.0,
+        solver=mock_unsupported_substeps_solver, substeps=2)
+    monkeypatch.setattr(pool, "USE_MULTIPROCESSING", False)
+
+    with pytest.raises(NotImplementedError, match="not supported"):
+        integrator._timed_deplete(n, rates, 0.75)
+
+
+def test_custom_solver_requires_four_args():
+    op = MagicMock()
+    op.prev_res = None
+    op.chain = None
+    op.heavy_metal = 1.0
+
+    with pytest.raises(ValueError, match="four arguments"):
+        PredictorIntegrator(op, [1], power=1, solver=mock_bad_solver_nargs)
+
 
 @pytest.mark.parametrize("integrator", INTEGRATORS)
 def test_timesteps(integrator):

From 806fb4ce774dc4e0e4eb7b749b95e98e1ed3cbc3 Mon Sep 17 00:00:00 2001
From: "Travis L." <Travis.LabossiereHickman@INL.gov>
Date: Mon, 27 Apr 2026 08:40:44 -0600
Subject: [PATCH 2597/2654] Clean up MCPL references (#3927)

---
 docs/source/usersguide/install.rst | 10 +++++-----
 src/output.cpp                     |  5 -----
 2 files changed, 5 insertions(+), 10 deletions(-)

diff --git a/docs/source/usersguide/install.rst b/docs/source/usersguide/install.rst
index 1ef2f574b..2a0d301d4 100644
--- a/docs/source/usersguide/install.rst
+++ b/docs/source/usersguide/install.rst
@@ -331,11 +331,11 @@ Prerequisites
 
       This option allows OpenMC to read and write MCPL (Monte Carlo Particle
       Lists) files instead of .h5 files for sources (external source
-      distribution, k-eigenvalue source distribution, and surface sources). To
-      turn this option on in the CMake configuration step, add the following
-      option::
-
-          cmake -DOPENMC_USE_MCPL=on ..
+      distribution, k-eigenvalue source distribution, and surface sources). 
+      OpenMC does not need any particular build option to use this, but MCPL
+      must be installed on the system in order to do so. Refer to the 
+      `MCPL documentation <https://github.com/mctools/mcpl/blob/HEAD/INSTALL.md>`_
+      for instructions on how to accomplish this.
 
     * NCrystal_ library for defining materials with enhanced thermal neutron transport
 
diff --git a/src/output.cpp b/src/output.cpp
index c66c313dc..f8c0f2a97 100644
--- a/src/output.cpp
+++ b/src/output.cpp
@@ -321,7 +321,6 @@ void print_build_info()
   std::string png(n);
   std::string profiling(n);
   std::string coverage(n);
-  std::string mcpl(n);
   std::string uwuw(n);
   std::string strict_fp(n);
 
@@ -337,9 +336,6 @@ void print_build_info()
 #ifdef OPENMC_LIBMESH_ENABLED
   libmesh = y;
 #endif
-#ifdef OPENMC_MCPL
-  mcpl = y;
-#endif
 #ifdef USE_LIBPNG
   png = y;
 #endif
@@ -369,7 +365,6 @@ void print_build_info()
     fmt::print("PNG support:           {}\n", png);
     fmt::print("DAGMC support:         {}\n", dagmc);
     fmt::print("libMesh support:       {}\n", libmesh);
-    fmt::print("MCPL support:          {}\n", mcpl);
     fmt::print("Coverage testing:      {}\n", coverage);
     fmt::print("Profiling flags:       {}\n", profiling);
     fmt::print("UWUW support:          {}\n", uwuw);

From 1116c4bdc04e64dfe1dfb528376919de027b3134 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 28 Apr 2026 09:02:08 -0500
Subject: [PATCH 2598/2654] Support multiple meshes in R2S calculations (#3860)

---
 docs/source/usersguide/decay_sources.rst |  19 ++
 openmc/deplete/microxs.py                | 137 +++++++------
 openmc/deplete/r2s.py                    | 234 +++++++++++++----------
 tests/unit_tests/test_deplete_microxs.py |   6 +-
 tests/unit_tests/test_r2s.py             |  75 +++++++-
 5 files changed, 308 insertions(+), 163 deletions(-)

diff --git a/docs/source/usersguide/decay_sources.rst b/docs/source/usersguide/decay_sources.rst
index 398680e74..21981fdaa 100644
--- a/docs/source/usersguide/decay_sources.rst
+++ b/docs/source/usersguide/decay_sources.rst
@@ -190,6 +190,25 @@ we would run::
 
     r2s.run(timesteps, source_rates, mat_vol_kwargs={'n_samples': 10_000_000})
 
+It is also possible to use multiple meshes by passing a list of meshes instead
+of a single mesh. This can be useful, for example, when different regions of the
+model require different mesh resolutions. The meshes are assumed to be
+**non-overlapping**; each element--material combination across all meshes is
+treated as an independent activation region, and all meshes are handled in a
+single neutron transport solve. For example::
+
+    # Fine mesh near the activation target
+    mesh_fine = openmc.RegularMesh()
+    mesh_fine.dimension = (10, 10, 10)
+    ...
+
+    # Coarse mesh for the surrounding region
+    mesh_coarse = openmc.RegularMesh()
+    mesh_coarse.dimension = (5, 5, 5)
+    ...
+
+    r2s = openmc.deplete.R2SManager(model, [mesh_fine, mesh_coarse])
+
 Direct 1-Step (D1S) Calculations
 ================================
 
diff --git a/openmc/deplete/microxs.py b/openmc/deplete/microxs.py
index e6e2dbce2..687cf646f 100644
--- a/openmc/deplete/microxs.py
+++ b/openmc/deplete/microxs.py
@@ -36,7 +36,8 @@ DomainTypes: TypeAlias = Union[
     Sequence[openmc.Cell],
     Sequence[openmc.Universe],
     openmc.MeshBase,
-    openmc.Filter
+    openmc.Filter,
+    Sequence[openmc.Filter]
 ]
 
 
@@ -69,8 +70,12 @@ def get_microxs_and_flux(
     ----------
     model : openmc.Model
         OpenMC model object. Must contain geometry, materials, and settings.
-    domains : list of openmc.Material or openmc.Cell or openmc.Universe, or openmc.MeshBase, or openmc.Filter
+    domains : list of openmc.Material or openmc.Cell or openmc.Universe, or openmc.MeshBase, or openmc.Filter, or list of openmc.Filter
         Domains in which to tally reaction rates, or a spatial tally filter.
+        A list of filters can be provided to create one set of tallies per
+        filter (e.g., one :class:`~openmc.MeshMaterialFilter` per mesh) that
+        are all evaluated in a single transport solve. Results are
+        concatenated across all filters in order.
     nuclides : list of str
         Nuclides to get cross sections for. If not specified, all burnable
         nuclides from the depletion chain file are used.
@@ -142,26 +147,24 @@ def get_microxs_and_flux(
     else:
         energy_filter = openmc.EnergyFilter(energies)
 
+    # Build list of domain filters
     if isinstance(domains, openmc.Filter):
-        domain_filter = domains
+        domain_filters = [domains]
     elif isinstance(domains, openmc.MeshBase):
-        domain_filter = openmc.MeshFilter(domains)
+        domain_filters = [openmc.MeshFilter(domains)]
+    elif isinstance(domains, Sequence) and len(domains) > 0 and \
+            isinstance(domains[0], openmc.Filter):
+        domain_filters = list(domains)
     elif isinstance(domains[0], openmc.Material):
-        domain_filter = openmc.MaterialFilter(domains)
+        domain_filters = [openmc.MaterialFilter(domains)]
     elif isinstance(domains[0], openmc.Cell):
-        domain_filter = openmc.CellFilter(domains)
+        domain_filters = [openmc.CellFilter(domains)]
     elif isinstance(domains[0], openmc.Universe):
-        domain_filter = openmc.UniverseFilter(domains)
+        domain_filters = [openmc.UniverseFilter(domains)]
     else:
         raise ValueError(f"Unsupported domain type: {type(domains[0])}")
 
-    flux_tally = openmc.Tally(name='MicroXS flux')
-    flux_tally.filters = [domain_filter, energy_filter]
-    flux_tally.scores = ['flux']
-    model.tallies = [flux_tally]
-
-    # Prepare reaction-rate tally for 'direct' or subset for 'flux' with opts
-    rr_tally = None
+    # Prepare reaction-rate nuclides/reactions
     rr_nuclides: list[str] = []
     rr_reactions: list[str] = []
     if reaction_rate_mode == 'direct':
@@ -177,20 +180,33 @@ def get_microxs_and_flux(
         if rr_reactions:
             rr_reactions = [r for r in rr_reactions if r in set(reactions)]
 
-    # Only construct tally if both lists are non-empty
-    if rr_nuclides and rr_reactions:
-        rr_tally = openmc.Tally(name='MicroXS RR')
-        # Use 1-group energy filter for RR in flux mode
-        if reaction_rate_mode == 'flux':
-            rr_energy_filter = openmc.EnergyFilter(
-                [energy_filter.values[0], energy_filter.values[-1]])
-        else:
-            rr_energy_filter = energy_filter
-        rr_tally.filters = [domain_filter, rr_energy_filter]
-        rr_tally.nuclides = rr_nuclides
-        rr_tally.multiply_density = False
-        rr_tally.scores = rr_reactions
-        model.tallies.append(rr_tally)
+    # Use 1-group energy filter for RR in flux mode
+    has_rr = bool(rr_nuclides and rr_reactions)
+    if has_rr and reaction_rate_mode == 'flux':
+        rr_energy_filter = openmc.EnergyFilter(
+            [energy_filter.values[0], energy_filter.values[-1]])
+    else:
+        rr_energy_filter = energy_filter
+
+    # Create one flux tally (and optionally one RR tally) per domain filter.
+    flux_tallies = []
+    rr_tallies = []
+    model.tallies = []
+    for i, domain_filter in enumerate(domain_filters):
+        flux_tally = openmc.Tally(name=f'MicroXS flux {i}')
+        flux_tally.filters = [domain_filter, energy_filter]
+        flux_tally.scores = ['flux']
+        model.tallies.append(flux_tally)
+        flux_tallies.append(flux_tally)
+
+        if has_rr:
+            rr_tally = openmc.Tally(name=f'MicroXS RR {i}')
+            rr_tally.filters = [domain_filter, rr_energy_filter]
+            rr_tally.nuclides = rr_nuclides
+            rr_tally.multiply_density = False
+            rr_tally.scores = rr_reactions
+            model.tallies.append(rr_tally)
+            rr_tallies.append(rr_tally)
 
     if openmc.lib.is_initialized:
         openmc.lib.finalize()
@@ -227,40 +243,41 @@ def get_microxs_and_flux(
 
         # Read in tally results (on all ranks)
         with StatePoint(statepoint_path) as sp:
-            if rr_tally is not None:
-                rr_tally = sp.tallies[rr_tally.id]
-                rr_tally._read_results()
-            flux_tally = sp.tallies[flux_tally.id]
-            flux_tally._read_results()
+            for i in range(len(flux_tallies)):
+                flux_tallies[i] = sp.tallies[flux_tallies[i].id]
+                flux_tallies[i]._read_results()
+                if rr_tallies:
+                    rr_tallies[i] = sp.tallies[rr_tallies[i].id]
+                    rr_tallies[i]._read_results()
 
-    # Get flux values and make energy groups last dimension
-    flux = flux_tally.get_reshaped_data()  # (domains, groups, 1, 1)
-    flux = np.moveaxis(flux, 1, -1)  # (domains, 1, 1, groups)
+    # Concatenate results across all domain filters
+    fluxes = []
+    all_flux_arrays = []
+    for flux_tally in flux_tallies:
+        # Get flux values and make energy groups last dimension
+        flux = flux_tally.get_reshaped_data()  # (domains, groups, 1, 1)
+        flux = np.moveaxis(flux, 1, -1)  # (domains, 1, 1, groups)
+        all_flux_arrays.append(flux)
+        fluxes.extend(flux.squeeze((1, 2)))
 
-    # Create list where each item corresponds to one domain
-    fluxes = list(flux.squeeze((1, 2)))
+    # If we built reaction-rate tallies, compute microscopic cross sections
+    if rr_tallies:
+        direct_micros = []
+        for flux_arr, rr_tally in zip(all_flux_arrays, rr_tallies):
+            flux = flux_arr
+            # Get reaction rates and make energy groups last dimension
+            reaction_rates = rr_tally.get_reshaped_data()  # (domains, groups, nuclides, reactions)
+            reaction_rates = np.moveaxis(reaction_rates, 1, -1)  # (domains, nuclides, reactions, groups)
 
-    # If we built a reaction-rate tally, compute microscopic cross sections
-    if rr_tally is not None:
-        # Get reaction rates
-        reaction_rates = rr_tally.get_reshaped_data()  # (domains, groups, nuclides, reactions)
+            # If RR is 1-group, sum flux over groups
+            if reaction_rate_mode == "flux":
+                flux = flux.sum(axis=-1, keepdims=True)
 
-        # Make energy groups last dimension
-        reaction_rates = np.moveaxis(reaction_rates, 1, -1)  # (domains, nuclides, reactions, groups)
-
-        # If RR is 1-group, sum flux over groups
-        if reaction_rate_mode == "flux":
-            flux = flux.sum(axis=-1, keepdims=True)  # (domains, 1, 1, 1)
-
-        # Divide RR by flux to get microscopic cross sections. The indexing
-        # ensures that only non-zero flux values are used, and broadcasting is
-        # applied to align the shapes of reaction_rates and flux for division.
-        xs = np.zeros_like(reaction_rates)  # (domains, nuclides, reactions, groups)
-        d, _, _, g = np.nonzero(flux)
-        xs[d, ..., g] = reaction_rates[d, ..., g] / flux[d, :, :, g]
-
-        # Create lists where each item corresponds to one domain
-        direct_micros = [MicroXS(xs_i, rr_nuclides, rr_reactions) for xs_i in xs]
+            xs = np.zeros_like(reaction_rates)
+            d, _, _, g = np.nonzero(flux)
+            xs[d, ..., g] = reaction_rates[d, ..., g] / flux[d, :, :, g]
+            direct_micros.extend(
+                MicroXS(xs_i, rr_nuclides, rr_reactions) for xs_i in xs)
 
     # If using flux mode, compute flux-collapsed microscopic XS
     if reaction_rate_mode == 'flux':
@@ -273,9 +290,9 @@ def get_microxs_and_flux(
         ) for flux_i in fluxes]
 
     # Decide which micros to use and merge if needed
-    if reaction_rate_mode == 'flux' and rr_tally is not None:
+    if reaction_rate_mode == 'flux' and rr_tallies:
         micros = [m1.merge(m2) for m1, m2 in zip(flux_micros, direct_micros)]
-    elif rr_tally is not None:
+    elif rr_tallies:
         micros = direct_micros
     else:
         micros = flux_micros
diff --git a/openmc/deplete/r2s.py b/openmc/deplete/r2s.py
index 57bbe437f..10d7fdd50 100644
--- a/openmc/deplete/r2s.py
+++ b/openmc/deplete/r2s.py
@@ -13,11 +13,11 @@ from .results import Results
 from ..checkvalue import PathLike
 from ..mpi import comm
 from openmc.lib import TemporarySession
-from openmc.utility_funcs import change_directory
 
 
 def get_activation_materials(
-    model: openmc.Model, mmv: openmc.MeshMaterialVolumes
+    model: openmc.Model,
+    mmv_list: list[openmc.MeshMaterialVolumes]
 ) -> openmc.Materials:
     """Get a list of activation materials for each mesh element/material.
 
@@ -31,35 +31,35 @@ def get_activation_materials(
     ----------
     model : openmc.Model
         The full model containing the geometry and materials.
-    mmv : openmc.MeshMaterialVolumes
-        The mesh material volumes object containing the materials and their
-        volumes for each mesh element.
+    mmv_list : list of openmc.MeshMaterialVolumes
+        List of mesh material volumes objects, one per mesh, containing the
+        materials and their volumes for each mesh element.
 
     Returns
     -------
     openmc.Materials
         A list of materials, each corresponding to a unique mesh element and
-        material combination.
+        material combination across all meshes.
 
     """
-    # Get the material ID, volume, and element index for each element-material
-    # combination
-    mat_ids = mmv._materials[mmv._materials > -1]
-    volumes = mmv._volumes[mmv._materials > -1]
-    elems, _ = np.where(mmv._materials > -1)
-
     # Get all materials in the model
     material_dict = model._get_all_materials()
 
     # Create a new activation material for each element-material combination
+    # across all meshes
     materials = openmc.Materials()
-    for elem, mat_id, vol in zip(elems, mat_ids, volumes):
-        mat = material_dict[mat_id]
-        new_mat = mat.clone()
-        new_mat.depletable = True
-        new_mat.name = f'Element {elem}, Material {mat_id}'
-        new_mat.volume = vol
-        materials.append(new_mat)
+    for mesh_idx, mmv in enumerate(mmv_list):
+        mat_ids = mmv._materials[mmv._materials > -1]
+        volumes = mmv._volumes[mmv._materials > -1]
+        elems, _ = np.where(mmv._materials > -1)
+
+        for elem, mat_id, vol in zip(elems, mat_ids, volumes):
+            mat = material_dict[mat_id]
+            new_mat = mat.clone()
+            new_mat.depletable = True
+            new_mat.name = f'Mesh {mesh_idx}, Element {elem}, Material {mat_id}'
+            new_mat.volume = vol
+            materials.append(new_mat)
 
     return materials
 
@@ -70,7 +70,9 @@ class R2SManager:
     This class is responsible for managing the materials and sources needed for
     mesh-based or cell-based R2S calculations. It provides methods to get
     activation materials and decay photon sources based on the mesh/cells and
-    materials in the OpenMC model.
+    materials in the OpenMC model. Multiple meshes can be specified as domains,
+    in which case each element--material combination of each mesh is treated as
+    an activation region (meshes are assumed to be non-overlapping).
 
     This class supports the use of a different models for the neutron and photon
     transport calculation. However, for cell-based calculations, it assumes that
@@ -83,17 +85,20 @@ class R2SManager:
     ----------
     neutron_model : openmc.Model
         The OpenMC model to use for neutron transport.
-    domains : openmc.MeshBase or Sequence[openmc.Cell]
-        The mesh or a sequence of cells that represent the spatial units over
-        which the R2S calculation will be performed.
+    domains : openmc.MeshBase or Sequence[openmc.MeshBase] or Sequence[openmc.Cell]
+        The mesh(es) or a sequence of cells that represent the spatial units
+        over which the R2S calculation will be performed. When a single
+        :class:`~openmc.MeshBase` or a sequence of meshes is given, each
+        element--material combination across all meshes is treated as an
+        activation region.
     photon_model : openmc.Model, optional
         The OpenMC model to use for photon transport calculations. If None, a
         shallow copy of the neutron_model will be created and used.
 
     Attributes
     ----------
-    domains : openmc.MeshBase or Sequence[openmc.Cell]
-        The mesh or a sequence of cells that represent the spatial units over
+    domains : list of openmc.MeshBase or Sequence[openmc.Cell]
+        The meshes or a sequence of cells that represent the spatial units over
         which the R2S calculation will be performed.
     neutron_model : openmc.Model
         The OpenMC model used for neutron transport.
@@ -101,7 +106,7 @@ class R2SManager:
         The OpenMC model used for photon transport calculations.
     method : {'mesh-based', 'cell-based'}
         Indicates whether the R2S calculation uses mesh elements ('mesh-based')
-        as the spatial discetization or a list of a cells ('cell-based').
+        as the spatial discretization or a list of cells ('cell-based').
     results : dict
         A dictionary that stores results from the R2S calculation.
 
@@ -109,7 +114,7 @@ class R2SManager:
     def __init__(
         self,
         neutron_model: openmc.Model,
-        domains: openmc.MeshBase | Sequence[openmc.Cell],
+        domains: openmc.MeshBase | Sequence[openmc.MeshBase] | Sequence[openmc.Cell],
         photon_model: openmc.Model | None = None,
     ):
         self.neutron_model = neutron_model
@@ -126,9 +131,14 @@ class R2SManager:
             self.photon_model = photon_model
         if isinstance(domains, openmc.MeshBase):
             self.method = 'mesh-based'
+            self.domains = [domains]
+        elif isinstance(domains, Sequence) and len(domains) > 0 and \
+                isinstance(domains[0], openmc.MeshBase):
+            self.method = 'mesh-based'
+            self.domains = list(domains)
         else:
             self.method = 'cell-based'
-        self.domains = domains
+            self.domains = list(domains)
         self.results = {}
 
     def run(
@@ -243,11 +253,13 @@ class R2SManager:
     ):
         """Run the neutron transport step.
 
-        This step computes the material volume fractions on the mesh, creates a
-        mesh-material filter, and retrieves the fluxes and microscopic cross
-        sections for each mesh/material combination. This step will populate the
-        'fluxes' and 'micros' keys in the results dictionary. For a mesh-based
-        calculation, it will also populate the 'mesh_material_volumes' key.
+        This step computes the material volume fractions on each mesh, creates
+        mesh-material filters, and retrieves the fluxes and microscopic cross
+        sections for each mesh/material combination via a single transport
+        solve. This step will populate the 'fluxes' and 'micros' keys in the
+        results dictionary. For a mesh-based calculation, it will also populate
+        the 'mesh_material_volumes' key (a list of
+        :class:`~openmc.MeshMaterialVolumes`, one per mesh).
 
         Parameters
         ----------
@@ -266,19 +278,28 @@ class R2SManager:
         output_dir.mkdir(parents=True, exist_ok=True)
 
         if self.method == 'mesh-based':
-            # Compute material volume fractions on the mesh
+            # Compute material volume fractions on each mesh
             if mat_vol_kwargs is None:
                 mat_vol_kwargs = {}
             mat_vol_kwargs.setdefault('bounding_boxes', True)
-            self.results['mesh_material_volumes'] = mmv = comm.bcast(
-                self.domains.material_volumes(self.neutron_model, **mat_vol_kwargs))
 
-            # Save results to file
-            if comm.rank == 0:
-                mmv.save(output_dir / 'mesh_material_volumes.npz')
+            mmv_list = []
+            domain_filters = []
+            for i, mesh in enumerate(self.domains):
+                mmv = comm.bcast(
+                    mesh.material_volumes(self.neutron_model, **mat_vol_kwargs))
+                mmv_list.append(mmv)
 
-            # Create mesh-material filter based on what combos were found
-            domains = openmc.MeshMaterialFilter.from_volumes(self.domains, mmv)
+                # Save results to file
+                if comm.rank == 0:
+                    mmv.save(output_dir / f'mesh_material_volumes_{i}.npz')
+
+                # Create mesh-material filter for this mesh
+                domain_filters.append(
+                    openmc.MeshMaterialFilter.from_volumes(mesh, mmv))
+
+            self.results['mesh_material_volumes'] = mmv_list
+            domains = domain_filters
         else:
             domains: Sequence[openmc.Cell] = self.domains
 
@@ -357,8 +378,9 @@ class R2SManager:
 
         if self.method == 'mesh-based':
             # Get unique material for each (mesh, material) combination
-            mmv = self.results['mesh_material_volumes']
-            self.results['activation_materials'] = get_activation_materials(self.neutron_model, mmv)
+            mmv_list = self.results['mesh_material_volumes']
+            self.results['activation_materials'] = get_activation_materials(
+                self.neutron_model, mmv_list)
         else:
             # Create unique material for each cell
             activation_mats = openmc.Materials()
@@ -468,12 +490,20 @@ class R2SManager:
         # photon model if it is different from the neutron model to account for
         # potential material changes
         if self.method == 'mesh-based' and different_photon_model:
-            self.results['mesh_material_volumes_photon'] = photon_mmv = comm.bcast(
-                self.domains.material_volumes(self.photon_model, **mat_vol_kwargs))
+            if mat_vol_kwargs is None:
+                mat_vol_kwargs = {}
+            photon_mmv_list = []
+            for i, mesh in enumerate(self.domains):
+                photon_mmv = comm.bcast(
+                    mesh.material_volumes(self.photon_model, **mat_vol_kwargs))
+                photon_mmv_list.append(photon_mmv)
 
-            # Save photon MMV results to file
-            if comm.rank == 0:
-                photon_mmv.save(output_dir / 'mesh_material_volumes.npz')
+                # Save photon MMV results to file
+                if comm.rank == 0:
+                    photon_mmv.save(
+                        output_dir / f'mesh_material_volumes_{i}.npz')
+
+            self.results['mesh_material_volumes_photon'] = photon_mmv_list
 
         if comm.rank == 0:
             tally_ids = [tally.id for tally in self.photon_model.tallies]
@@ -543,7 +573,7 @@ class R2SManager:
     ) -> list[openmc.IndependentSource]:
         """Create decay photon source for a mesh-based calculation.
 
-        For each mesh element-material combination, an
+        For each mesh element-material combination across all meshes, an
         :class:`~openmc.IndependentSource` is created with a
         :class:`~openmc.stats.Box` spatial distribution based on the bounding
         box of the material within the mesh element. A material constraint is
@@ -575,52 +605,56 @@ class R2SManager:
         index_mat = 0
 
         # Get various results from previous steps
-        mat_vols = self.results['mesh_material_volumes']
+        mmv_list = self.results['mesh_material_volumes']
         materials = self.results['activation_materials']
         results = self.results['depletion_results']
-        photon_mat_vols = self.results.get('mesh_material_volumes_photon')
+        photon_mmv_list = self.results.get('mesh_material_volumes_photon')
 
-        # Total number of mesh elements
-        n_elements = mat_vols.num_elements
+        for mesh_idx, mat_vols in enumerate(mmv_list):
+            photon_mat_vols = photon_mmv_list[mesh_idx] \
+                if photon_mmv_list is not None else None
 
-        for index_elem in range(n_elements):
-            # Determine which materials exist in the photon model for this element
-            if photon_mat_vols is not None:
-                photon_materials = {
-                    mat_id
-                    for mat_id, _ in photon_mat_vols.by_element(index_elem)
-                    if mat_id is not None
-                }
+            # Total number of mesh elements for this mesh
+            n_elements = mat_vols.num_elements
 
-            for mat_id, _, bbox in mat_vols.by_element(index_elem, include_bboxes=True):
-                # Skip void volume
-                if mat_id is None:
-                    continue
+            for index_elem in range(n_elements):
+                # Determine which materials exist in the photon model for this element
+                if photon_mat_vols is not None:
+                    photon_materials = {
+                        mat_id
+                        for mat_id, _ in photon_mat_vols.by_element(index_elem)
+                        if mat_id is not None
+                    }
 
-                # Skip if this material doesn't exist in photon model
-                if photon_mat_vols is not None and mat_id not in photon_materials:
+                for mat_id, _, bbox in mat_vols.by_element(index_elem, include_bboxes=True):
+                    # Skip void volume
+                    if mat_id is None:
+                        continue
+
+                    # Skip if this material doesn't exist in photon model
+                    if photon_mat_vols is not None and mat_id not in photon_materials:
+                        index_mat += 1
+                        continue
+
+                    # Get activated material composition
+                    original_mat = materials[index_mat]
+                    activated_mat = results[time_index].get_material(str(original_mat.id))
+
+                    # Create decay photon source
+                    energy = activated_mat.get_decay_photon_energy()
+                    if energy is not None:
+                        strength = energy.integral()
+                        space = openmc.stats.Box(*bbox)
+                        sources.append(openmc.IndependentSource(
+                            space=space,
+                            energy=energy,
+                            particle='photon',
+                            strength=strength,
+                            constraints={'domains': [mat_dict[mat_id]]}
+                        ))
+
+                    # Increment index of activated material
                     index_mat += 1
-                    continue
-
-                # Get activated material composition
-                original_mat = materials[index_mat]
-                activated_mat = results[time_index].get_material(str(original_mat.id))
-
-                # Create decay photon source
-                energy = activated_mat.get_decay_photon_energy()
-                if energy is not None:
-                    strength = energy.integral()
-                    space = openmc.stats.Box(*bbox)
-                    sources.append(openmc.IndependentSource(
-                        space=space,
-                        energy=energy,
-                        particle='photon',
-                        strength=strength,
-                        constraints={'domains': [mat_dict[mat_id]]}
-                    ))
-
-                # Increment index of activated material
-                index_mat += 1
 
         return sources
 
@@ -638,10 +672,13 @@ class R2SManager:
         # Load neutron transport results
         neutron_dir = path / 'neutron_transport'
         if self.method == 'mesh-based':
-            mmv_file = neutron_dir / 'mesh_material_volumes.npz'
-            if mmv_file.exists():
-                self.results['mesh_material_volumes'] = \
-                    openmc.MeshMaterialVolumes.from_npz(mmv_file)
+            mmv_files = sorted(neutron_dir.glob('mesh_material_volumes*.npz'),
+                               key=lambda p: int(p.stem.split('_')[-1])
+                               if p.stem[-1].isdigit() else 0)
+            if mmv_files:
+                self.results['mesh_material_volumes'] = [
+                    openmc.MeshMaterialVolumes.from_npz(f) for f in mmv_files
+                ]
         fluxes_file = neutron_dir / 'fluxes.npy'
         if fluxes_file.exists():
             self.results['fluxes'] = list(np.load(fluxes_file, allow_pickle=True))
@@ -665,10 +702,15 @@ class R2SManager:
 
         # Load photon mesh material volumes if they exist (for mesh-based calculations)
         if self.method == 'mesh-based':
-            photon_mmv_file = photon_dir / 'mesh_material_volumes.npz'
-            if photon_mmv_file.exists():
-                self.results['mesh_material_volumes_photon'] = \
-                    openmc.MeshMaterialVolumes.from_npz(photon_mmv_file)
+            photon_mmv_files = sorted(
+                photon_dir.glob('mesh_material_volumes*.npz'),
+                key=lambda p: int(p.stem.split('_')[-1])
+                if p.stem[-1].isdigit() else 0)
+            if photon_mmv_files:
+                self.results['mesh_material_volumes_photon'] = [
+                    openmc.MeshMaterialVolumes.from_npz(f)
+                    for f in photon_mmv_files
+                ]
 
         # Load tally IDs from JSON file
         tally_ids_path = photon_dir / 'tally_ids.json'
diff --git a/tests/unit_tests/test_deplete_microxs.py b/tests/unit_tests/test_deplete_microxs.py
index 340ba6163..26529e6ce 100644
--- a/tests/unit_tests/test_deplete_microxs.py
+++ b/tests/unit_tests/test_deplete_microxs.py
@@ -165,11 +165,11 @@ def test_hybrid_tally_setup():
 
     # Check that both tallies were created with the expected properties
     tally_names = [t.name for t in captured['tallies']]
-    assert 'MicroXS flux' in tally_names
-    assert 'MicroXS RR' in tally_names
+    assert 'MicroXS flux 0' in tally_names
+    assert 'MicroXS RR 0' in tally_names
 
     # Check that the RR tally has the expected nuclides and reactions
-    rr = next(t for t in captured['tallies'] if t.name == 'MicroXS RR')
+    rr = next(t for t in captured['tallies'] if t.name == 'MicroXS RR 0')
     assert rr.nuclides == ['U235']
     assert rr.scores == ['fission']
 
diff --git a/tests/unit_tests/test_r2s.py b/tests/unit_tests/test_r2s.py
index a94f85c8c..266bd4976 100644
--- a/tests/unit_tests/test_r2s.py
+++ b/tests/unit_tests/test_r2s.py
@@ -6,7 +6,7 @@ from openmc.deplete import Chain, R2SManager
 
 
 @pytest.fixture
-def simple_model_and_mesh(tmp_path):
+def simple_model_and_mesh():
     # Define two materials: water and Ni
     h2o = openmc.Material()
     h2o.add_nuclide("H1", 2.0)
@@ -68,7 +68,7 @@ def test_r2s_mesh_expected_output(simple_model_and_mesh, tmp_path):
     nt = Path(outdir) / 'neutron_transport'
     assert (nt / 'fluxes.npy').exists()
     assert (nt / 'micros.h5').exists()
-    assert (nt / 'mesh_material_volumes.npz').exists()
+    assert (nt / 'mesh_material_volumes_0.npz').exists()
     act = Path(outdir) / 'activation'
     assert (act / 'depletion_results.h5').exists()
     pt = Path(outdir) / 'photon_transport'
@@ -78,7 +78,8 @@ def test_r2s_mesh_expected_output(simple_model_and_mesh, tmp_path):
     # Basic results structure checks
     assert len(r2s.results['fluxes']) == 2
     assert len(r2s.results['micros']) == 2
-    assert len(r2s.results['mesh_material_volumes']) == 2
+    assert len(r2s.results['mesh_material_volumes']) == 1
+    assert len(r2s.results['mesh_material_volumes'][0]) == 2
     assert len(r2s.results['activation_materials']) == 2
     assert len(r2s.results['depletion_results']) == 2
 
@@ -93,11 +94,77 @@ def test_r2s_mesh_expected_output(simple_model_and_mesh, tmp_path):
     r2s_loaded.load_results(outdir)
     assert len(r2s_loaded.results['fluxes']) == 2
     assert len(r2s_loaded.results['micros']) == 2
-    assert len(r2s_loaded.results['mesh_material_volumes']) == 2
+    assert len(r2s_loaded.results['mesh_material_volumes']) == 1
+    assert len(r2s_loaded.results['mesh_material_volumes'][0]) == 2
     assert len(r2s_loaded.results['activation_materials']) == 2
     assert len(r2s_loaded.results['depletion_results']) == 2
 
 
+def test_r2s_multi_mesh(simple_model_and_mesh, tmp_path):
+    model, _, _ = simple_model_and_mesh
+
+    # Two 1x1x1 meshes that together cover the full domain, split along y.
+    # Each mesh element spans the full x range [-10, 10], crossing the x=0
+    # material boundary, so both meshes contain both materials within their
+    # single element.
+    mesh1 = openmc.RegularMesh()
+    mesh1.lower_left = (-10.0, -10.0, -10.0)
+    mesh1.upper_right = (10.0, 0.0, 10.0)
+    mesh1.dimension = (1, 1, 1)
+    mesh2 = openmc.RegularMesh()
+    mesh2.lower_left = (-10.0, 0.0, -10.0)
+    mesh2.upper_right = (10.0, 10.0, 10.0)
+    mesh2.dimension = (1, 1, 1)
+
+    r2s = R2SManager(model, [mesh1, mesh2])
+    chain = Chain.from_xml(Path(__file__).parents[1] / "chain_ni.xml")
+
+    outdir = r2s.run(
+        timesteps=[(1.0, 'd')],
+        source_rates=[1.0],
+        photon_time_indices=[1],
+        output_dir=tmp_path,
+        chain_file=chain,
+    )
+
+    # Check that per-mesh MMV files were written
+    nt = Path(outdir) / 'neutron_transport'
+    assert (nt / 'fluxes.npy').exists()
+    assert (nt / 'micros.h5').exists()
+    assert (nt / 'mesh_material_volumes_0.npz').exists()
+    assert (nt / 'mesh_material_volumes_1.npz').exists()
+    act = Path(outdir) / 'activation'
+    assert (act / 'depletion_results.h5').exists()
+    pt = Path(outdir) / 'photon_transport'
+    assert (pt / 'tally_ids.json').exists()
+    assert (pt / 'time_1' / 'statepoint.10.h5').exists()
+
+    # Two meshes, each with 1 element containing both materials →
+    # 2 element-material combinations per mesh, 4 total
+    assert len(r2s.results['mesh_material_volumes']) == 2
+    assert len(r2s.results['mesh_material_volumes'][0]) == 2
+    assert len(r2s.results['mesh_material_volumes'][1]) == 2
+    assert len(r2s.results['fluxes']) == 4
+    assert len(r2s.results['micros']) == 4
+    assert len(r2s.results['activation_materials']) == 4
+    assert len(r2s.results['depletion_results']) == 2
+
+    # Activation material names encode mesh index
+    amats = r2s.results['activation_materials']
+    assert all(m.depletable for m in amats)
+    assert any('Mesh 0' in m.name for m in amats)
+    assert any('Mesh 1' in m.name for m in amats)
+
+    # Check loading results
+    r2s_loaded = R2SManager(model, [mesh1, mesh2])
+    r2s_loaded.load_results(outdir)
+    assert len(r2s_loaded.results['mesh_material_volumes']) == 2
+    assert len(r2s_loaded.results['mesh_material_volumes'][0]) == 2
+    assert len(r2s_loaded.results['mesh_material_volumes'][1]) == 2
+    assert len(r2s_loaded.results['activation_materials']) == 4
+    assert len(r2s_loaded.results['depletion_results']) == 2
+
+
 def test_r2s_cell_expected_output(simple_model_and_mesh, tmp_path):
     model, (c1, c2), _ = simple_model_and_mesh
 

From 368ea069ca6ab1bdc6145855223d5c6b4dc6aa47 Mon Sep 17 00:00:00 2001
From: Jack Fletcher <115663563+j-fletcher@users.noreply.github.com>
Date: Tue, 28 Apr 2026 17:10:03 -0400
Subject: [PATCH 2599/2654] Local adjoint source for Random Ray (#3717)

---
 docs/source/io_formats/settings.rst           |  39 +-
 docs/source/methods/random_ray.rst            |  46 +-
 docs/source/methods/variance_reduction.rst    |  16 +-
 docs/source/usersguide/random_ray.rst         |  55 +-
 docs/source/usersguide/variance_reduction.rst |  94 ++-
 .../openmc/random_ray/flat_source_domain.h    |   8 +-
 .../openmc/random_ray/random_ray_simulation.h |  17 +-
 include/openmc/source.h                       |   1 +
 include/openmc/weight_windows.h               |   3 +
 openmc/examples.py                            | 309 ++++++++
 openmc/model/model.py                         |  44 ++
 openmc/settings.py                            |  39 +-
 openmc/tallies.py                             |  91 ++-
 openmc/weight_windows.py                      |  57 +-
 src/random_ray/flat_source_domain.cpp         | 101 ++-
 src/random_ray/random_ray_simulation.cpp      | 217 +++---
 src/settings.cpp                              |  22 +-
 src/source.cpp                                |   3 +
 src/weight_windows.cpp                        |   9 +-
 .../inputs_true.dat                           |  12 +-
 .../random_ray_adjoint_k_eff/inputs_true.dat  |  12 +-
 .../random_ray_adjoint_local/__init__.py      |   0
 .../random_ray_adjoint_local/inputs_true.dat  | 293 ++++++++
 .../random_ray_adjoint_local/results_true.dat |  15 +
 .../random_ray_adjoint_local/test.py          |  35 +
 .../infinite_medium/inputs_true.dat           |  12 +-
 .../material_wise/inputs_true.dat             |  12 +-
 .../stochastic_slab/inputs_true.dat           |  12 +-
 .../infinite_medium/inputs_true.dat           |  12 +-
 .../material_wise/inputs_true.dat             |  12 +-
 .../stochastic_slab/inputs_true.dat           |  12 +-
 .../infinite_medium/model/inputs_true.dat     |  12 +-
 .../infinite_medium/user/inputs_true.dat      |  12 +-
 .../stochastic_slab/model/inputs_true.dat     |  12 +-
 .../stochastic_slab/user/inputs_true.dat      |  12 +-
 .../infinite_medium/inputs_true.dat           |  12 +-
 .../material_wise/inputs_true.dat             |  12 +-
 .../stochastic_slab/inputs_true.dat           |  12 +-
 .../eigen/inputs_true.dat                     |  12 +-
 .../fs/inputs_true.dat                        |  12 +-
 .../inputs_true.dat                           |  12 +-
 .../inputs_true.dat                           |  12 +-
 .../random_ray_entropy/settings.xml           |  12 +-
 .../cell/inputs_true.dat                      |  12 +-
 .../material/inputs_true.dat                  |  12 +-
 .../universe/inputs_true.dat                  |  12 +-
 .../linear/inputs_true.dat                    |  12 +-
 .../linear_xy/inputs_true.dat                 |  12 +-
 .../flat/inputs_true.dat                      |  12 +-
 .../linear/inputs_true.dat                    |  12 +-
 .../False/inputs_true.dat                     |  12 +-
 .../True/inputs_true.dat                      |  12 +-
 .../flat/inputs_true.dat                      |  12 +-
 .../linear_xy/inputs_true.dat                 |  12 +-
 .../random_ray_halton_samples/inputs_true.dat |  12 +-
 .../random_ray_k_eff/inputs_true.dat          |  12 +-
 .../random_ray_k_eff_mesh/inputs_true.dat     |  12 +-
 .../random_ray_linear/linear/inputs_true.dat  |  12 +-
 .../linear_xy/inputs_true.dat                 |  12 +-
 .../random_ray_low_density/inputs_true.dat    |  12 +-
 .../inputs_true.dat                           |  12 +-
 .../random_ray_s2/inputs_true.dat             |  12 +-
 .../random_ray_void/flat/inputs_true.dat      |  12 +-
 .../random_ray_void/linear/inputs_true.dat    |  12 +-
 .../hybrid/inputs_true.dat                    |  12 +-
 .../naive/inputs_true.dat                     |  12 +-
 .../simulation_averaged/inputs_true.dat       |  12 +-
 .../hybrid/inputs_true.dat                    |  12 +-
 .../naive/inputs_true.dat                     |  12 +-
 .../simulation_averaged/inputs_true.dat       |  12 +-
 .../weightwindows_fw_cadis/inputs_true.dat    |  12 +-
 .../weightwindows_fw_cadis_local/__init__.py  |   0
 .../inputs_true.dat                           | 273 +++++++
 .../results_true.dat                          | 696 ++++++++++++++++++
 .../weightwindows_fw_cadis_local/test.py      |  42 ++
 .../flat/inputs_true.dat                      |  12 +-
 .../linear/inputs_true.dat                    |  12 +-
 77 files changed, 2663 insertions(+), 462 deletions(-)
 create mode 100644 tests/regression_tests/random_ray_adjoint_local/__init__.py
 create mode 100644 tests/regression_tests/random_ray_adjoint_local/inputs_true.dat
 create mode 100644 tests/regression_tests/random_ray_adjoint_local/results_true.dat
 create mode 100644 tests/regression_tests/random_ray_adjoint_local/test.py
 create mode 100644 tests/regression_tests/weightwindows_fw_cadis_local/__init__.py
 create mode 100644 tests/regression_tests/weightwindows_fw_cadis_local/inputs_true.dat
 create mode 100644 tests/regression_tests/weightwindows_fw_cadis_local/results_true.dat
 create mode 100644 tests/regression_tests/weightwindows_fw_cadis_local/test.py

diff --git a/docs/source/io_formats/settings.rst b/docs/source/io_formats/settings.rst
index a50922b04..d63376e2b 100644
--- a/docs/source/io_formats/settings.rst
+++ b/docs/source/io_formats/settings.rst
@@ -597,7 +597,7 @@ found in the :ref:`random ray user guide <random_ray>`.
 
     *Default*: None
 
-  :source:
+  :ray_source:
     Specifies the starting ray distribution, and follows the format for
     :ref:`source_element`. It must be uniform in space and angle and cover the
     full domain. It does not represent a physical neutron or photon source -- it
@@ -605,6 +605,35 @@ found in the :ref:`random ray user guide <random_ray>`.
 
     *Default*: None
 
+  :adjoint_source:
+    Specifies an adjoint fixed source for adjoint transport simulations, and 
+    follows the format for :ref:`source_element`. The distributions which make 
+    up the adjoint source are subject to the same restrictions as forward 
+    fixed sources in Random Ray mode.
+
+    *Default*: None
+  
+  :adjoint:
+    Specifies whether to perform adjoint transport. The default is 'False', 
+    corresponding to forward transport.
+
+    *Default*: None
+  
+  :volume_estimator:
+    Specifies choice of volume estimator for the random ray solver. Options 
+    are 'naive', 'simulation_averaged', or 'hybrid'. The default is 'hybrid'.
+
+    *Default*: None
+
+  :volume_normalized_flux_tallies:
+    Specifies whether to normalize flux tallies by volume (bool). The 
+    default is 'False'. When enabled, flux tallies will be reported in units 
+    of cm/cm^3. When disabled, flux tallies will be reported in units of cm 
+    (i.e., total distance traveled by neutrons in the spatial tally 
+    region).
+
+    *Default*: None
+
   :sample_method:
     Specifies the method for sampling the starting ray distribution. This
     element can be set to "prng" or "halton".
@@ -1696,6 +1725,14 @@ mesh-based weight windows.
         The ratio of the lower to upper weight window bounds.
 
         *Default*: 5.0
+    
+    For FW-CADIS:
+
+      :targets:
+        A sequence of IDs corresponding to the tallies which cover phase 
+        space regions of interest for local variance reduction.
+
+        *Default*: None
 
 ---------------------------------------
 ``<weight_window_checkpoints>`` Element
diff --git a/docs/source/methods/random_ray.rst b/docs/source/methods/random_ray.rst
index 5e17316aa..8bc2a0a1b 100644
--- a/docs/source/methods/random_ray.rst
+++ b/docs/source/methods/random_ray.rst
@@ -1081,28 +1081,32 @@ lifetimes.
 
 In OpenMC, the random ray adjoint solver is implemented simply by transposing
 the scattering matrix, swapping :math:`\nu\Sigma_f` and :math:`\chi`, and then
-running a normal transport solve. When no external fixed source is present, no
-additional changes are needed in the transport process. However, if an external
-fixed forward source is present in the simulation problem, then an additional
-step is taken to compute the accompanying fixed adjoint source. In OpenMC, the
-adjoint flux does *not* represent a response function for a particular detector
-region. Rather, the adjoint flux is the global response, making it appropriate
-for use with weight window generation schemes for global variance reduction.
-Thus, if using a fixed source, the external source for the adjoint mode is
-simply computed as being :math:`1 / \phi`, where :math:`\phi` is the forward
-scalar flux that results from a normal forward solve (which OpenMC will run
-first automatically when in adjoint mode). The adjoint external source will be
-computed for each source region in the simulation mesh, independent of any
-tallies. The adjoint external source is always flat, even when a linear
-scattering and fission source shape is used. When in adjoint mode, all reported
-results (e.g., tallies, eigenvalues, etc.) are derived from the adjoint flux,
-even when the physical meaning is not necessarily obvious. These values are
-still reported, though we emphasize that the primary use case for adjoint mode
-is for producing adjoint flux tallies to support subsequent perturbation studies
-and weight window generation.
+running a normal transport solve. When no external fixed forward source is 
+present, or if an adjoint fixed source is specifically provided, no additional 
+changes are needed in the transport process. This adjoint source can 
+correspond, for example, to a detector response function in a particular 
+region. However, if an external fixed forward source is present in the 
+simulation problem without an adjoint fixed source, an additional step is taken 
+to compute the accompanying forward-weighted adjoint source. In this case, the
+adjoint flux does *not* represent the importance of locations in phase space to 
+detector response; rather, the "response" in question is a uniform distribution 
+of Monte Carlo particle density, making the importance provided by the adjoint 
+flux appropriate for use with weight window generation schemes for global 
+variance reduction. Thus, if using a fixed source, the forward-weighted 
+external source for adjoint mode is simply computed as being :math:`1 / \phi`, 
+where :math:`\phi` is the forward scalar flux that results from a normal 
+forward solve (which OpenMC will run first automatically when in adjoint mode). 
+The adjoint external source will be computed for each source region in the 
+simulation mesh, independent of any tallies. The adjoint external source is 
+always flat, even when a linear scattering and fission source shape is used. 
 
-Note that the adjoint :math:`k_{eff}` is statistically the same as the forward
-:math:`k_{eff}`, despite the flux distributions taking different shapes.
+When in adjoint mode, all reported results (e.g., tallies, eigenvalues, etc.) 
+are derived from the adjoint flux, even when the physical meaning is not 
+necessarily obvious. These values are still reported, though we emphasize that 
+the primary use case for adjoint mode is for producing adjoint flux tallies to 
+support subsequent perturbation studies and weight window generation. Note 
+however that the adjoint :math:`k_{eff}` is statistically the same as the 
+forward :math:`k_{eff}`, despite the flux distributions taking different shapes.
 
 ---------------------------
 Fundamental Sources of Bias
diff --git a/docs/source/methods/variance_reduction.rst b/docs/source/methods/variance_reduction.rst
index cdda5ea92..7778e0714 100644
--- a/docs/source/methods/variance_reduction.rst
+++ b/docs/source/methods/variance_reduction.rst
@@ -82,8 +82,8 @@ where it was born from.
 
 The Forward-Weighted Consistent Adjoint Driven Importance Sampling method, or
 `FW-CADIS method <https://doi.org/10.13182/NSE12-33>`_, produces weight windows
-for global variance reduction given adjoint flux information throughout the
-entire domain. The weight window lower bound is defined in Equation
+for global or local variance reduction given adjoint flux information throughout 
+the entire domain. The weight window lower bound is defined in Equation
 :eq:`fw_cadis`, and also involves a normalization step not shown here.
 
 .. math::
@@ -135,6 +135,18 @@ aware of this.
 
     \text{FOM} = \frac{1}{\text{Time} \times \sigma^2}
 
+Finally, one unique capability of the FW-CADIS weight window generator is to 
+produce weight windows for local variance reduction, given a list of the 
+responses of interest. This is controlled by optionally specifying target 
+tallies from the :class:`openmc.model.Model` to the 
+:class:`openmc.WeightWindowGenerator`, as illustrated in the
+:ref:`user guide<variance_reduction>`. If target tallies for local variance 
+reduction are supplied, then the adjoint sources are only populated after the 
+initial forward simulation in the source regions associated with those tallies. 
+In other regions, the adjoint source term is instead set to zero. The Random  
+Ray solver then determines the adjoint flux map used to generate FW-CADIS 
+weight windows following the usual technique.
+
 .. _methods_source_biasing:
 
 --------------
diff --git a/docs/source/usersguide/random_ray.rst b/docs/source/usersguide/random_ray.rst
index 0c9a04028..d35aff83b 100644
--- a/docs/source/usersguide/random_ray.rst
+++ b/docs/source/usersguide/random_ray.rst
@@ -944,6 +944,8 @@ as::
 which will greatly improve the quality of the linear source term in 2D
 simulations.
 
+.. _usersguide_random_ray_run_modes:
+
 ---------------------------------
 Fixed Source and Eigenvalue Modes
 ---------------------------------
@@ -1073,22 +1075,47 @@ The adjoint flux random ray solver mode can be enabled as::
 
     settings.random_ray['adjoint'] = True
 
-When enabled, OpenMC will first run a forward transport simulation followed by
-an adjoint transport simulation. The purpose of the forward solve is to compute
-the adjoint external source when an external source is present in the
-simulation. Simulation settings (e.g., number of rays, batches, etc.) will be
-identical for both simulations. At the conclusion of the run, all results (e.g.,
-tallies, plots, etc.) will be derived from the adjoint flux rather than the
-forward flux but are not labeled any differently. The initial forward flux
-solution will not be stored or available in the final statepoint file. Those
-wishing to do analysis requiring both the forward and adjoint solutions will
-need to run two separate simulations and load both statepoint files.
+When enabled, OpenMC will first run a forward transport simulation if there are 
+no user-specified adjoint sources present, followed by an adjoint transport 
+simulation. Fixed adjoint sources can be specified on the 
+:attr:`openmc.Settings.random_ray` dictionary as follows::
+
+    # Geometry definition
+    ...
+    detector_cell = openmc.Cell(fill=detector_mat, name='cell where detector will be')
+    ...
+    # Define fixed adjoint neutron source
+    strengths = [1.0]
+    midpoints = [1.0e-4]
+    energy_distribution = openmc.stats.Discrete(x=midpoints, p=strengths)
+
+    adj_source = openmc.IndependentSource(
+        energy=energy_distribution, 
+        constraints={'domains': [detector_cell]}
+    )
+
+    # Add to random_ray dict
+    settings.random_ray['adjoint_source'] = adj_source
+
+The same constraints apply to the user-defined adjoint source as to the forward 
+source, described in the :ref:`Fixed Source and Eigenvalue section 
+<usersguide_random_ray_run_modes>`. If this source is not provided, a forward 
+solve must take place to compute the adjoint external source when a forward 
+external source is present in the problem. Simulation settings (e.g., number of 
+rays, batches, etc.) will be identical for both calculations. At the 
+conclusion of the run, all results (e.g., tallies, plots, etc.) will be 
+derived from the adjoint flux rather than the forward flux but are not labeled 
+any differently. The initial forward flux solution will not be stored or 
+available in the final statepoint file. Those wishing to do analysis requiring 
+both the forward and adjoint solutions will need to run two separate 
+simulations and load both statepoint files.
 
 .. note::
-    When adjoint mode is selected, OpenMC will always perform a full forward
-    solve and then run a full adjoint solve immediately afterwards. Statepoint
-    and tally results will be derived from the adjoint flux, but will not be
-    labeled any differently.
+    Use of the automated 
+    :ref:`FW-CADIS weight window generator<usersguide_fw_cadis>` is not 
+    currently compatible with user-defined adjoint sources. Instead, the 
+    initial forward calculation is used to assign "forward-weighted" adjoint 
+    sources to the tally regions of interest.
 
 ---------------------------------------
 Putting it All Together: Example Inputs
diff --git a/docs/source/usersguide/variance_reduction.rst b/docs/source/usersguide/variance_reduction.rst
index 8d41807e1..d551195f5 100644
--- a/docs/source/usersguide/variance_reduction.rst
+++ b/docs/source/usersguide/variance_reduction.rst
@@ -4,26 +4,27 @@
 Variance Reduction
 ==================
 
-Global variance reduction in OpenMC is accomplished by weight windowing
-or source biasing techniques, the latter of which additionally provides a
-local variance reduction capability. OpenMC is capable of generating weight
-windows using either the MAGIC or FW-CADIS methods. Both techniques will
-produce a ``weight_windows.h5`` file that can be loaded and used later on. In
+Global and local variance reduction are possible in OpenMC through both weight 
+windowing and source biasing techniques. OpenMC is capable of generating weight
+windows using either the MAGIC or FW-CADIS methods, the latter with an optional
+capability for local variance reduction. Both techniques will produce a
+``weight_windows.h5`` file that can be loaded and used later on. In
 this section, we first break down the steps required to generate and apply
 weight windows, then describe how source biasing may be applied.
 
 .. _ww_generator:
 
-------------------------------------
-Generating Weight Windows with MAGIC
-------------------------------------
+-------------------------------------------
+Generating Global Weight Windows with MAGIC
+-------------------------------------------
 
 As discussed in the :ref:`methods section <methods_variance_reduction>`, MAGIC
 is an iterative method that uses flux tally information from a Monte Carlo
-simulation to produce weight windows for a user-defined mesh. While generating
-the weight windows, OpenMC is capable of applying the weight windows generated
-from a previous batch while processing the next batch, allowing for progressive
-improvement in the weight window quality across iterations.
+simulation to produce weight windows for a user-defined mesh with the objective 
+of global variance reduction. While generating the weight windows, OpenMC is 
+capable of applying the weight windows generated from a previous batch while 
+processing the next batch, allowing for progressive improvement in the weight 
+window quality across iterations.
 
 The typical way of generating weight windows is to define a mesh and then add an
 :class:`openmc.WeightWindowGenerator` object to an :attr:`openmc.Settings`
@@ -71,15 +72,20 @@ At the end of the simulation, a ``weight_windows.h5`` file will be saved to disk
 for later use. Loading it in another subsequent simulation will be discussed in
 the "Using Weight Windows" section below.
 
-------------------------------------------------------
-Generating Weight Windows with FW-CADIS and Random Ray
-------------------------------------------------------
+.. _usersguide_fw_cadis:
+
+----------------------------------------------------------------------
+Generating Global or Local Weight Windows with FW-CADIS and Random Ray
+----------------------------------------------------------------------
 
 Weight window generation with FW-CADIS and random ray in OpenMC uses the same
-exact strategy as with MAGIC. An :class:`openmc.WeightWindowGenerator` object is
-added to the :attr:`openmc.Settings` object, and a ``weight_windows.h5`` will be
-generated at the end of the simulation. The only difference is that the code
-must be run in random ray mode. A full description of how to enable and setup
+exact strategy as with MAGIC. Using FW-CADIS, however, also enables 
+local variance reduction in fixed source problems through the :attr:`targets` 
+attribute, which is described later in this section. To enable FW-CADIS, an 
+:class:`openmc.WeightWindowGenerator` object is added to the 
+:attr:`openmc.Settings` object, and a ``weight_windows.h5`` will be generated 
+at the end of the simulation. The only procedural difference is that the code 
+must be run in random ray mode. A full description of how to enable and setup 
 random ray mode can be found in the :ref:`Random Ray User Guide <random_ray>`.
 
 .. note::
@@ -90,7 +96,7 @@ random ray mode can be found in the :ref:`Random Ray User Guide <random_ray>`.
     ray solver. A high level overview of the current workflow for generation of
     weight windows with FW-CADIS using random ray is given below.
 
-1. Begin by making a deepy copy of your continuous energy Python model and then
+1. Begin by making a deep copy of your continuous energy Python model and then
    convert the copy to be multigroup and use the random ray transport solver.
    The conversion process can largely be automated as described in more detail
    in the :ref:`random ray quick start guide <quick_start>`, summarized below::
@@ -148,7 +154,53 @@ random ray mode can be found in the :ref:`Random Ray User Guide <random_ray>`.
     assigning to ``model.settings.random_ray['source_region_meshes']``) and for
     weight window generation.
 
-3. When running your multigroup random ray input deck, OpenMC will automatically
+3. (Optional) If local variance reduction is desired in a fixed-source problem,  
+   populate the :attr:`targets` attribute with an :class:`openmc.Tallies` 
+   instance or an iterable of tally IDs indicating the tallies of interest for 
+   variance reduction::
+
+    # Build a new example and WWG for local variance reduction
+    from openmc.examples import random_ray_three_region_cube_with_detectors
+    new_model = random_ray_three_region_cube_with_detectors()
+
+    ww_mesh = openmc.RegularMesh()
+    n = 7
+    width = 35.0
+    ww_mesh.dimension = (n, n, n)
+    ww_mesh.lower_left = (0.0, 0.0, 0.0)
+    ww_mesh.upper_right = (width, width, width)
+
+    wwg = openmc.WeightWindowGenerator(
+        method="fw_cadis", 
+        mesh=ww_mesh, 
+        max_realizations=new_model.settings.batches
+    )
+    new_model.settings.weight_window_generators = wwg
+    new_model.settings.random_ray['volume_estimator'] = 'naive'
+
+    # Get the tallies of interest
+    target_tallies = openmc.Tallies()
+
+    for tally in list(new_model.tallies):
+        if tally.name in {"Detector 1 Tally", "Detector 2 Tally"}:
+            target_tallies.append(tally)
+    
+    # Add to WeightWindowGenerator
+    wwg.targets = target_tallies
+
+.. warning::
+    The tallies designated as FW-CADIS targets to the 
+    :class:`~openmc.WeightWindowGenerator` must be present under the
+    :class:`~openmc.model.Model.tallies` attribute of the 
+    :class:`~openmc.model.Model` as well in order to be recognized as valid 
+    local variance reduction targets. This check is performed when the 
+    :func:`openmc.model.Model.export_to_model_xml` or 
+    :func:`openmc.model.Model.export_to_xml` functions are called, meaning 
+    that the standalone :func:`openmc.Settings.export_to_xml` and 
+    :func:`openmc.Tallies.export_to_xml` methods should not be used with 
+    FW-CADIS local variance reduction.
+
+4. When running your multigroup random ray input deck, OpenMC will automatically
    run a forward solve followed by an adjoint solve, with a
    ``weight_windows.h5`` file generated at the end. The ``weight_windows.h5``
    file will contain FW-CADIS generated weight windows. This file can be used in
diff --git a/include/openmc/random_ray/flat_source_domain.h b/include/openmc/random_ray/flat_source_domain.h
index c40982712..6f51af34d 100644
--- a/include/openmc/random_ray/flat_source_domain.h
+++ b/include/openmc/random_ray/flat_source_domain.h
@@ -40,9 +40,10 @@ public:
   void random_ray_tally();
   virtual void accumulate_iteration_flux();
   void output_to_vtk() const;
-  void convert_external_sources();
+  void convert_external_sources(bool use_adjoint_sources);
   void count_external_source_regions();
-  void set_adjoint_sources();
+  void set_fw_adjoint_sources();
+  void set_local_adjoint_sources();
   void flux_swap();
   virtual double evaluate_flux_at_point(Position r, int64_t sr, int g) const;
   double compute_fixed_source_normalization_factor() const;
@@ -76,6 +77,7 @@ public:
   // Static Data members
   static bool volume_normalized_flux_tallies_;
   static bool adjoint_; // If the user wants outputs based on the adjoint flux
+  static bool fw_cadis_local_;
   static double
     diagonal_stabilization_rho_; // Adjusts strength of diagonal stabilization
                                  // for transport corrected MGXS data
@@ -84,6 +86,8 @@ public:
   static std::unordered_map<int, vector<std::pair<Source::DomainType, int>>>
     mesh_domain_map_;
 
+  static std::vector<size_t> fw_cadis_local_targets_;
+
   //----------------------------------------------------------------------------
   // Static data members
   static RandomRayVolumeEstimator volume_estimator_;
diff --git a/include/openmc/random_ray/random_ray_simulation.h b/include/openmc/random_ray/random_ray_simulation.h
index 68c7779ed..ccd2cbe47 100644
--- a/include/openmc/random_ray/random_ray_simulation.h
+++ b/include/openmc/random_ray/random_ray_simulation.h
@@ -20,8 +20,9 @@ public:
   //----------------------------------------------------------------------------
   // Methods
   void apply_fixed_sources_and_mesh_domains();
-  void prepare_fixed_sources_adjoint();
-  void prepare_adjoint_simulation();
+  void prepare_fw_fixed_sources_adjoint();
+  void prepare_local_fixed_sources_adjoint();
+  void prepare_adjoint_simulation(bool fw_adjoint);
   void simulate();
   void output_simulation_results() const;
   void instability_check(
@@ -34,15 +35,9 @@ public:
   // Accessors
   FlatSourceDomain* domain() const { return domain_.get(); }
 
-  //----------------------------------------------------------------------------
-  // Public data members
-
-  // Flag for adjoint simulation;
-  bool adjoint_needed_;
-
 private:
   //----------------------------------------------------------------------------
-  // Private data members
+  // Data members
 
   // Contains all flat source region data
   unique_ptr<FlatSourceDomain> domain_;
@@ -57,9 +52,6 @@ private:
   // Number of energy groups
   int negroups_;
 
-  // Toggle for first simulation
-  bool is_first_simulation_;
-
 }; // class RandomRaySimulation
 
 //============================================================================
@@ -67,7 +59,6 @@ private:
 //============================================================================
 
 void validate_random_ray_inputs();
-void print_adjoint_header();
 void openmc_finalize_random_ray();
 
 } // namespace openmc
diff --git a/include/openmc/source.h b/include/openmc/source.h
index 1ef7eba2b..e307b1ed2 100644
--- a/include/openmc/source.h
+++ b/include/openmc/source.h
@@ -43,6 +43,7 @@ class Source;
 namespace model {
 
 extern vector<unique_ptr<Source>> external_sources;
+extern vector<unique_ptr<Source>> adjoint_sources;
 
 // Probability distribution for selecting external sources
 extern DiscreteIndex external_sources_probability;
diff --git a/include/openmc/weight_windows.h b/include/openmc/weight_windows.h
index 42846f9d1..a5d404133 100644
--- a/include/openmc/weight_windows.h
+++ b/include/openmc/weight_windows.h
@@ -223,6 +223,9 @@ public:
   double threshold_ {1.0}; //<! Relative error threshold for values used to
                            // update weight windows
   double ratio_ {5.0};     //<! ratio of lower to upper weight window bounds
+
+  // Local FW-CADIS target tallies
+  std::vector<size_t> targets_;
 };
 
 //==============================================================================
diff --git a/openmc/examples.py b/openmc/examples.py
index f7f2bd48d..90a0bffe7 100644
--- a/openmc/examples.py
+++ b/openmc/examples.py
@@ -1310,3 +1310,312 @@ def random_ray_three_region_cube() -> openmc.Model:
     model.tallies = tallies
 
     return model
+
+def random_ray_three_region_cube_with_detectors() -> openmc.Model:
+    """Create a three region cube model with two external tally regions.
+
+    This is an adaptation of the simple monoenergetic problem of a cube with 
+    three concentric cubic regions. The innermost region is near void (with 
+    Sigma_t around 10^-5) and contains an external isotropic source term, the 
+    middle region is a mild scatterer (with Sigma_t around 10^-3), and the 
+    outer region of the cube is a scatterer and absorber (with Sigma_t around 
+    1).
+
+    Two cubic "detector" regions are found outside this geometry, one along the 
+    y-axis near z=0, and the other in the upper right corner of the system. 
+    The size of each detector is scaled to be equal to that of the source 
+    region. The model returned by this function contains cell tallies on each 
+    detector.
+
+    Returns
+    -------
+    model : openmc.Model
+        A three region cube model
+
+    """
+
+    model = openmc.Model()
+
+    ###########################################################################
+    # Helper function creates a 3 region cube with different fills in each region
+    def fill_cube(N, n_1, n_2, fill_1, fill_2, fill_3):
+        cube = [[[0 for _ in range(N)] for _ in range(N)] for _ in range(N)]
+        for i in range(N):
+            for j in range(N):
+                for k in range(N):
+                    if i < n_1 and j >= (N-n_1) and k < n_1:
+                        cube[i][j][k] = fill_1
+                    elif i < n_2 and j >= (N-n_2) and k < n_2:
+                        cube[i][j][k] = fill_2
+                    else:
+                        cube[i][j][k] = fill_3
+        return cube
+
+    ###########################################################################
+    # Create multigroup data
+
+    # Instantiate the energy group data
+    ebins = [1e-5, 20.0e6]
+    groups = openmc.mgxs.EnergyGroups(group_edges=ebins)
+
+    cavity_sigma_a = 4.0e-5
+    cavity_sigma_s = 3.0e-3
+    cavity_mat_data = openmc.XSdata('cavity', groups)
+    cavity_mat_data.order = 0
+    cavity_mat_data.set_total([cavity_sigma_a + cavity_sigma_s])
+    cavity_mat_data.set_absorption([cavity_sigma_a])
+    cavity_mat_data.set_scatter_matrix(
+        np.rollaxis(np.array([[[cavity_sigma_s]]]), 0, 3))
+
+    absorber_sigma_a = 0.50
+    absorber_sigma_s = 0.50
+    absorber_mat_data = openmc.XSdata('absorber', groups)
+    absorber_mat_data.order = 0
+    absorber_mat_data.set_total([absorber_sigma_a + absorber_sigma_s])
+    absorber_mat_data.set_absorption([absorber_sigma_a])
+    absorber_mat_data.set_scatter_matrix(
+        np.rollaxis(np.array([[[absorber_sigma_s]]]), 0, 3))
+
+    multiplier = 0.01
+    source_sigma_a = cavity_sigma_a * multiplier
+    source_sigma_s = cavity_sigma_s * multiplier
+    source_mat_data = openmc.XSdata('source', groups)
+    source_mat_data.order = 0
+    source_mat_data.set_total([source_sigma_a + source_sigma_s])
+    source_mat_data.set_absorption([source_sigma_a])
+    source_mat_data.set_scatter_matrix(
+        np.rollaxis(np.array([[[source_sigma_s]]]), 0, 3))
+
+    mg_cross_sections_file = openmc.MGXSLibrary(groups)
+    mg_cross_sections_file.add_xsdatas(
+        [source_mat_data, cavity_mat_data, absorber_mat_data])
+    mg_cross_sections_file.export_to_hdf5()
+
+    ###########################################################################
+    # Create materials for the problem
+
+    # Instantiate some Macroscopic Data
+    source_data = openmc.Macroscopic('source')
+    cavity_data = openmc.Macroscopic('cavity')
+    absorber_data = openmc.Macroscopic('absorber')
+
+    # Instantiate some Materials and register the appropriate Macroscopic objects
+    source_mat = openmc.Material(name='source')
+    source_mat.set_density('macro', 1.0)
+    source_mat.add_macroscopic(source_data)
+
+    cavity_mat = openmc.Material(name='cavity')
+    cavity_mat.set_density('macro', 1.0)
+    cavity_mat.add_macroscopic(cavity_data)
+
+    absorber_mat = openmc.Material(name='absorber')
+    absorber_mat.set_density('macro', 1.0)
+    absorber_mat.add_macroscopic(absorber_data)
+
+    # Instantiate a Materials collection
+    materials_file = openmc.Materials([source_mat, cavity_mat, absorber_mat])
+    materials_file.cross_sections = "mgxs.h5"
+
+    ###########################################################################
+    # Define problem geometry
+
+    source_cell = openmc.Cell(fill=source_mat, name='infinite source region')
+    cavity_cell = openmc.Cell(fill=cavity_mat, name='cube cavity region')
+    absorber_cell = openmc.Cell(
+        fill=absorber_mat, name='absorber region')
+
+    source_universe = openmc.Universe(name='source universe')
+    source_universe.add_cells([source_cell])
+
+    cavity_universe = openmc.Universe()
+    cavity_universe.add_cells([cavity_cell])
+
+    absorber_universe = openmc.Universe()
+    absorber_universe.add_cells([absorber_cell])
+
+    absorber_width = 30.0
+    n_base = 6
+
+    # This variable can be increased above 1 to refine the FSR mesh resolution further
+    refinement_level = 2
+
+    n = n_base * refinement_level
+    pitch = absorber_width / n
+
+    pattern = fill_cube(n, 1*refinement_level, 5*refinement_level,
+                        source_universe, cavity_universe, absorber_universe)
+
+    lattice = openmc.RectLattice()
+    lattice.lower_left = [0.0, 0.0, 0.0]
+    lattice.pitch = [pitch, pitch, pitch]
+    lattice.universes = pattern
+
+    lattice_cell = openmc.Cell(fill=lattice)
+
+    lattice_uni = openmc.Universe()
+    lattice_uni.add_cells([lattice_cell])
+
+    x_low = openmc.XPlane(x0=0.0, boundary_type='reflective')
+    x_high = openmc.XPlane(x0=absorber_width)
+
+    y_low = openmc.YPlane(y0=0.0, boundary_type='reflective')
+    y_high = openmc.YPlane(y0=absorber_width)
+
+    z_low = openmc.ZPlane(z0=0.0, boundary_type='reflective')
+    z_high = openmc.ZPlane(z0=absorber_width)
+
+    cube_domain = openmc.Cell(fill=lattice_uni, region=+x_low & -
+                              x_high & +y_low & -y_high & +z_low & -z_high, name='full domain')
+
+    detect_width = absorber_width / n_base
+    outer_width = absorber_width + detect_width
+
+    x_outer = openmc.XPlane(x0=outer_width, boundary_type='vacuum')
+    y_outer = openmc.YPlane(y0=outer_width, boundary_type='vacuum')
+    z_outer = openmc.ZPlane(z0=outer_width, boundary_type='vacuum')
+
+    detector1_right = openmc.XPlane(x0=detect_width)
+    detector1_top = openmc.ZPlane(z0=detect_width)
+
+    detector1_region = (
+        +x_low & -detector1_right &
+        +y_high & -y_outer &
+        +z_low & -detector1_top
+    )
+    detector1 = openmc.Cell(
+        name='detector 1',
+        fill=absorber_mat,
+        region=detector1_region
+    )
+
+    detector2_region = (
+        +x_high & -x_outer &
+        +y_high & -y_outer &
+        +z_high & -z_outer
+    )
+    detector2 = openmc.Cell(
+        name='detector 2',
+        fill=absorber_mat,
+        region=detector2_region
+    )
+    
+    external_x = (
+        +x_high & +y_low & +z_low & -x_outer & 
+        ((-y_outer & -z_high) | (-y_high & +z_high & -z_outer))
+    )
+    external_y = (
+        +y_high & -y_outer & 
+        (
+            (+detector1_right & -x_high & +z_low & -z_outer) | 
+            (-detector1_right & +x_low & +detector1_top & -z_outer) | 
+            (+x_high & -x_outer & +z_low & -z_high)
+        )
+    )
+    external_z = (
+        +x_low & +y_low & +z_high & -z_outer & 
+        ((-y_outer & -x_high) | (-y_high & +x_high & -x_outer))
+    )
+    external_cell = openmc.Cell(fill=cavity_mat, 
+                                region=(external_x | external_y | external_z), 
+                                name='outside cube')
+
+    root = openmc.Universe(
+        name='root universe', 
+        cells=[cube_domain, detector1, detector2, external_cell]
+    )
+
+    # Create a geometry with the two cells and export to XML
+    geometry = openmc.Geometry(root)
+
+    ###########################################################################
+    # Define problem settings
+
+    # Instantiate a Settings object, set all runtime parameters, and export to XML
+    settings = openmc.Settings()
+    settings.energy_mode = "multi-group"
+    settings.inactive = 5
+    settings.batches = 10
+    settings.particles = 500
+    settings.run_mode = 'fixed source'
+
+    # Create an initial uniform spatial source for ray integration
+    lower_left_ray = [0.0, 0.0, 0.0]
+    upper_right_ray = [outer_width, outer_width, outer_width]
+    uniform_dist_ray = openmc.stats.Box(
+        lower_left_ray, upper_right_ray, only_fissionable=False)
+    rr_source = openmc.IndependentSource(space=uniform_dist_ray)
+
+    settings.random_ray['distance_active'] = 800.0
+    settings.random_ray['distance_inactive'] = 100.0
+    settings.random_ray['ray_source'] = rr_source
+    settings.random_ray['volume_normalized_flux_tallies'] = True
+
+    # Create a rectilinear source region mesh
+    sr_mesh = openmc.RegularMesh()
+    sr_mesh.dimension = (14, 14, 14)
+    sr_mesh.lower_left = (0.0, 0.0, 0.0)
+    sr_mesh.upper_right = (outer_width, outer_width, outer_width)
+    settings.random_ray['source_region_meshes'] = [(sr_mesh, [root])]
+
+    # Create the neutron source in the bottom right of the moderator
+    # Good - fast group appears largest (besides most thermal)
+    strengths = [1.0]
+    midpoints = [100.0]
+    energy_distribution = openmc.stats.Discrete(x=midpoints, p=strengths)
+
+    source = openmc.IndependentSource(energy=energy_distribution, constraints={
+                                      'domains': [source_universe]}, strength=3.14)
+
+    settings.source = [source]
+
+    ###########################################################################
+    # Define tallies
+
+    estimator = 'tracklength'
+
+    detector1_filter = openmc.CellFilter(detector1)
+    detector1_tally = openmc.Tally(name="Detector 1 Tally")
+    detector1_tally.filters = [detector1_filter]
+    detector1_tally.scores = ['flux']
+    detector1_tally.estimator = estimator
+
+    detector2_filter = openmc.CellFilter(detector2)
+    detector2_tally = openmc.Tally(name="Detector 2 Tally")
+    detector2_tally.filters = [detector2_filter]
+    detector2_tally.scores = ['flux']
+    detector2_tally.estimator = estimator
+
+    absorber_filter = openmc.MaterialFilter(absorber_mat)
+    absorber_tally = openmc.Tally(name="Absorber Tally")
+    absorber_tally.filters = [absorber_filter]
+    absorber_tally.scores = ['flux']
+    absorber_tally.estimator = estimator
+
+    cavity_filter = openmc.MaterialFilter(cavity_mat)
+    cavity_tally = openmc.Tally(name="Cavity Tally")
+    cavity_tally.filters = [cavity_filter]
+    cavity_tally.scores = ['flux']
+    cavity_tally.estimator = estimator
+
+    source_filter = openmc.MaterialFilter(source_mat)
+    source_tally = openmc.Tally(name="Source Tally")
+    source_tally.filters = [source_filter]
+    source_tally.scores = ['flux']
+    source_tally.estimator = estimator
+
+    # Instantiate a Tallies collection and export to XML
+    tallies = openmc.Tallies([detector1_tally, 
+                              detector2_tally, 
+                              absorber_tally,
+                              cavity_tally,
+                              source_tally])
+
+    ###########################################################################
+    # Assmble Model
+
+    model.geometry = geometry
+    model.materials = materials_file
+    model.settings = settings
+    model.tallies = tallies
+
+    return model
\ No newline at end of file
diff --git a/openmc/model/model.py b/openmc/model/model.py
index 884e3ff6f..c9a24b8b3 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -265,6 +265,46 @@ class Model:
             denom_tally = openmc.Tally(name='IFP denominator')
             denom_tally.scores = ['ifp-denominator']
             self.tallies.append(denom_tally)
+    
+    # TODO: This should also be incorporated into lower-level calls in 
+    # settings.py, but it requires information about the tallies currently
+    # on the active Model
+    def _assign_fw_cadis_tally_IDs(self):
+        # Verify that all tallies assigned as targets on WeightWindowGenerators 
+        # exist within model.tallies. If this is the case, convert the .targets 
+        # attribute of each WeightWindowGenerator to a sequence of tally IDs.
+        if len(self.settings.weight_window_generators) == 0:
+            return
+        
+        # List of valid tally IDs
+        reference_tally_ids = np.asarray([tal.id for tal in self.tallies])
+        
+        for wwg in self.settings.weight_window_generators:
+            # Only proceeds if the "targets" attribute is an openmc.Tallies, 
+            # which means it hasn't been checked against model.tallies.
+            if isinstance(wwg.targets, openmc.Tallies):
+                id_vec = []
+                for tal in wwg.targets:
+                    # check against model tallies for equivalence
+                    id_next = None
+                    for reference_tal in self.tallies:
+                        if tal == reference_tal:
+                            id_next = reference_tal.id
+                            break
+                    
+                    if id_next == None:
+                        raise RuntimeError(
+                            f'Local FW-CADIS target tally {tal.id} not found on model.tallies!')
+                    else:
+                        id_vec.append(id_next)
+
+                wwg.targets = id_vec
+
+            elif isinstance(wwg.targets, np.ndarray):
+                invalid = wwg.targets[~np.isin(wwg.targets, reference_tally_ids)]
+                if len(invalid) > 0:
+                    raise RuntimeError(
+                        f'Local FW-CADIS target tally IDs {invalid} not found on model.tallies!')
 
     @classmethod
     def from_xml(
@@ -576,6 +616,7 @@ class Model:
         if not d.is_dir():
             d.mkdir(parents=True, exist_ok=True)
 
+        self._assign_fw_cadis_tally_IDs()
         self.settings.export_to_xml(d)
         self.geometry.export_to_xml(d, remove_surfs=remove_surfs)
 
@@ -634,6 +675,9 @@ class Model:
                           "set the Geometry.merge_surfaces attribute instead.")
             self.geometry.merge_surfaces = True
 
+        # Link FW-CADIS WeightWindowGenerator target tallies, if present
+        self._assign_fw_cadis_tally_IDs()
+
         # provide a memo to track which meshes have been written
         mesh_memo = set()
         settings_element = self.settings.to_xml_element(mesh_memo)
diff --git a/openmc/settings.py b/openmc/settings.py
index 6919afca4..1090babda 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -236,6 +236,9 @@ class Settings:
             stabilization, which may be desirable as stronger diagonal stabilization
             also tends to dampen the convergence rate of the solver, thus requiring
             more iterations to converge.
+        :adjoint_source:
+            Source object used to define localized adjoint source/detector response 
+            function.
 
         .. versionadded:: 0.15.0
     resonance_scattering : dict
@@ -1421,6 +1424,14 @@ class Settings:
                 cv.check_type('diagonal stabilization rho', value, Real)
                 cv.check_greater_than('diagonal stabilization rho',
                                       value, 0.0, True)
+            elif key == 'adjoint_source':
+                if not isinstance(value, MutableSequence):
+                    value = [value]
+                for source in value:
+                    if not isinstance(source, SourceBase):
+                        raise ValueError(
+                            f'Invalid adjoint source type: {type(source)}. '
+                            'Expected openmc.SourceBase.')
             else:
                 raise ValueError(f'Unable to set random ray to "{key}" which is '
                                  'unsupported by OpenMC')
@@ -1973,11 +1984,12 @@ class Settings:
             element = ET.SubElement(root, "random_ray")
             for key, value in self._random_ray.items():
                 if key == 'ray_source' and isinstance(value, SourceBase):
+                    subelement = ET.SubElement(element, 'ray_source')
                     source_element = value.to_xml_element()
                     if source_element.find('bias') is not None:
                         raise RuntimeError(
                             "Ray source distributions should not be biased.")
-                    element.append(source_element)
+                    subelement.append(source_element)
 
                 elif key == 'source_region_meshes':
                     subelement = ET.SubElement(element, 'source_region_meshes')
@@ -1995,8 +2007,20 @@ class Settings:
                         path = f"./mesh[@id='{mesh.id}']"
                         if root.find(path) is None:
                             root.append(mesh.to_xml_element())
-                            if mesh_memo is not None:
+                            if mesh_memo is not None:    
                                 mesh_memo.add(mesh.id)
+                elif key == 'adjoint_source':
+                    subelement = ET.SubElement(element, 'adjoint_source')
+                    # Check that all entries are valid SourceBase instances, in case 
+                    # the random_ray setter was not used to populate dict entries.
+                    if not isinstance(value, MutableSequence):
+                        value = [value]
+                    for source in value:
+                        if not isinstance(source, SourceBase):
+                            raise ValueError(
+                                f'Invalid adjoint source type: {type(source)}. '
+                                'Expected openmc.SourceBase.')
+                        subelement.append(source.to_xml_element())
                 elif isinstance(value, bool):
                     subelement = ET.SubElement(element, key)
                     subelement.text = str(value).lower()
@@ -2443,8 +2467,9 @@ class Settings:
             for child in elem:
                 if child.tag in ('distance_inactive', 'distance_active', 'diagonal_stabilization_rho'):
                     self.random_ray[child.tag] = float(child.text)
-                elif child.tag == 'source':
-                    source = SourceBase.from_xml_element(child)
+                elif child.tag == 'ray_source':
+                    source_element = child.find('source')
+                    source = SourceBase.from_xml_element(source_element)
                     if child.find('bias') is not None:
                         raise RuntimeError(
                             "Ray source distributions should not be biased.")
@@ -2461,6 +2486,12 @@ class Settings:
                     self.random_ray['adjoint'] = (
                         child.text in ('true', '1')
                     )
+                elif child.tag == 'adjoint_source':
+                    self.random_ray['adjoint_source'] = []
+                    for subelem in child.findall('source'):
+                        src = SourceBase.from_xml_element(subelem)
+                        # add newly constructed source object to the list
+                        self.random_ray['adjoint_source'].append(src)
                 elif child.tag == 'sample_method':
                     self.random_ray['sample_method'] = child.text
                 elif child.tag == 'source_region_meshes':
diff --git a/openmc/tallies.py b/openmc/tallies.py
index 151add2be..ceced4255 100644
--- a/openmc/tallies.py
+++ b/openmc/tallies.py
@@ -16,6 +16,23 @@ from scipy.stats import chi2, norm
 
 import openmc
 import openmc.checkvalue as cv
+from openmc.filter import (
+    Filter, 
+    DistribcellFilter, 
+    EnergyFunctionFilter, 
+    DelayedGroupFilter, 
+    FilterMeta, 
+    MeshFilter,
+    MeshBornFilter,
+)
+from openmc.arithmetic import (
+    CrossFilter, 
+    AggregateFilter,
+    CrossScore,
+    AggregateScore,
+    CrossNuclide,
+    AggregateNuclide,
+)
 from ._sparse_compat import lil_array
 from ._xml import clean_indentation, get_elem_list, get_text
 from .mixin import IDManagerMixin
@@ -31,9 +48,9 @@ _PRODUCT_TYPES = ['tensor', 'entrywise']
 
 # The following indicate acceptable types when setting Tally.scores,
 # Tally.nuclides, and Tally.filters
-_SCORE_CLASSES = (str, openmc.CrossScore, openmc.AggregateScore)
-_NUCLIDE_CLASSES = (str, openmc.CrossNuclide, openmc.AggregateNuclide)
-_FILTER_CLASSES = (openmc.Filter, openmc.CrossFilter, openmc.AggregateFilter)
+_SCORE_CLASSES = (str, CrossScore, AggregateScore)
+_NUCLIDE_CLASSES = (str, CrossNuclide, AggregateNuclide)
+_FILTER_CLASSES = (Filter, CrossFilter, AggregateFilter)
 
 # Valid types of estimators
 ESTIMATOR_TYPES = {'tracklength', 'collision', 'analog'}
@@ -421,7 +438,7 @@ class Tally(IDManagerMixin):
             self._num_realizations = int(group['n_realizations'][()])
 
             for filt in self.filters:
-                if isinstance(filt, openmc.DistribcellFilter):
+                if isinstance(filt, DistribcellFilter):
                     filter_group = f[f'tallies/filters/filter {filt.id}']
                     filt._num_bins = int(filter_group['n_bins'][()])
 
@@ -1089,8 +1106,8 @@ class Tally(IDManagerMixin):
             return False
 
         # Return False if only one tally has a delayed group filter
-        tally1_dg = self.contains_filter(openmc.DelayedGroupFilter)
-        tally2_dg = other.contains_filter(openmc.DelayedGroupFilter)
+        tally1_dg = self.contains_filter(DelayedGroupFilter)
+        tally2_dg = other.contains_filter(DelayedGroupFilter)
         if tally1_dg != tally2_dg:
             return False
 
@@ -1602,7 +1619,7 @@ class Tally(IDManagerMixin):
 
             # Also check to see if the desired filter is wrapped up in an
             # aggregate
-            elif isinstance(test_filter, openmc.AggregateFilter):
+            elif isinstance(test_filter, AggregateFilter):
                 if isinstance(test_filter.aggregate_filter, filter_type):
                     return test_filter
 
@@ -1704,7 +1721,7 @@ class Tally(IDManagerMixin):
 
         """
 
-        cv.check_type('filters', filters, Iterable, openmc.FilterMeta)
+        cv.check_type('filters', filters, Iterable, FilterMeta)
         cv.check_type('filter_bins', filter_bins, Iterable, tuple)
 
         # If user did not specify any specific Filters, use them all
@@ -1787,7 +1804,7 @@ class Tally(IDManagerMixin):
         """
 
         for score in scores:
-            if not isinstance(score, (str, openmc.CrossScore)):
+            if not isinstance(score, (str, CrossScore)):
                 msg = f'Unable to get score indices for score "{score}" in ' \
                       f'ID="{self.id}" since it is not a string or CrossScore ' \
                       'Tally'
@@ -1984,9 +2001,9 @@ class Tally(IDManagerMixin):
             column_name = 'score'
 
             for score in self.scores:
-                if isinstance(score, (str, openmc.CrossScore)):
+                if isinstance(score, (str, CrossScore)):
                     scores.append(str(score))
-                elif isinstance(score, openmc.AggregateScore):
+                elif isinstance(score, AggregateScore):
                     scores.append(score.name)
                     column_name = f'{score.aggregate_op}(score)'
 
@@ -2086,7 +2103,7 @@ class Tally(IDManagerMixin):
         for i, f in enumerate(self.filters):
             if expand_dims:
                 # Mesh filter indices are backwards so we need to flip them
-                if type(f) in {openmc.MeshFilter, openmc.MeshBornFilter}:
+                if type(f) in {MeshFilter, MeshBornFilter}:
                     fshape = f.shape[::-1]
                     new_shape += fshape
                     idx0, idx1 = i, i + len(fshape) - 1
@@ -2273,7 +2290,7 @@ class Tally(IDManagerMixin):
         else:
             all_filters = [self_copy.filters, other_copy.filters]
             for self_filter, other_filter in product(*all_filters):
-                new_filter = openmc.CrossFilter(self_filter, other_filter,
+                new_filter = CrossFilter(self_filter, other_filter,
                                                 binary_op)
                 new_tally.filters.append(new_filter)
 
@@ -2284,7 +2301,7 @@ class Tally(IDManagerMixin):
         else:
             all_nuclides = [self_copy.nuclides, other_copy.nuclides]
             for self_nuclide, other_nuclide in product(*all_nuclides):
-                new_nuclide = openmc.CrossNuclide(self_nuclide, other_nuclide,
+                new_nuclide = CrossNuclide(self_nuclide, other_nuclide,
                                                   binary_op)
                 new_tally.nuclides.append(new_nuclide)
 
@@ -2295,9 +2312,9 @@ class Tally(IDManagerMixin):
                 if score1 == score2:
                     return score1
                 else:
-                    return openmc.CrossScore(score1, score2, binary_op)
+                    return CrossScore(score1, score2, binary_op)
             else:
-                return openmc.CrossScore(score1, score2, binary_op)
+                return CrossScore(score1, score2, binary_op)
 
         # Add scores to the new tally
         if score_product == 'entrywise':
@@ -2506,16 +2523,16 @@ class Tally(IDManagerMixin):
 
         # Construct lists of tuples for the bins in each of the two filters
         filters = [type(filter1), type(filter2)]
-        if isinstance(filter1, openmc.DistribcellFilter):
+        if isinstance(filter1, DistribcellFilter):
             filter1_bins = [b for b in range(filter1.num_bins)]
-        elif isinstance(filter1, openmc.EnergyFunctionFilter):
+        elif isinstance(filter1, EnergyFunctionFilter):
             filter1_bins = [None]
         else:
             filter1_bins = filter1.bins
 
-        if isinstance(filter2, openmc.DistribcellFilter):
+        if isinstance(filter2, DistribcellFilter):
             filter2_bins = [b for b in range(filter2.num_bins)]
-        elif isinstance(filter2, openmc.EnergyFunctionFilter):
+        elif isinstance(filter2, EnergyFunctionFilter):
             filter2_bins = [None]
         else:
             filter2_bins = filter2.bins
@@ -2648,11 +2665,11 @@ class Tally(IDManagerMixin):
             raise ValueError(msg)
 
         # Check that the scores are valid
-        if not isinstance(score1, (str, openmc.CrossScore)):
+        if not isinstance(score1, (str, CrossScore)):
             msg = 'Unable to swap score1 "{}" in Tally ID="{}" since it is ' \
                   'not a string or CrossScore'.format(score1, self.id)
             raise ValueError(msg)
-        elif not isinstance(score2, (str, openmc.CrossScore)):
+        elif not isinstance(score2, (str, CrossScore)):
             msg = 'Unable to swap score2 "{}" in Tally ID="{}" since it is ' \
                   'not a string or CrossScore'.format(score2, self.id)
             raise ValueError(msg)
@@ -3296,7 +3313,7 @@ class Tally(IDManagerMixin):
                 new_filter.bins = [f.bins[i] for i in bin_indices]
 
                 # Set number of bins manually for mesh/distribcell filters
-                if filter_type is openmc.DistribcellFilter:
+                if filter_type is DistribcellFilter:
                     new_filter._num_bins = f._num_bins
 
                 # Replace existing filter with new one
@@ -3362,16 +3379,16 @@ class Tally(IDManagerMixin):
         std_dev = self.get_reshaped_data(value='std_dev')
 
         # Sum across any filter bins specified by the user
-        if isinstance(filter_type, openmc.FilterMeta):
+        if isinstance(filter_type, FilterMeta):
             find_filter = self.find_filter(filter_type)
 
             # If user did not specify filter bins, sum across all bins
             if len(filter_bins) == 0:
                 bin_indices = np.arange(find_filter.num_bins)
 
-                if isinstance(find_filter, openmc.DistribcellFilter):
+                if isinstance(find_filter, DistribcellFilter):
                     filter_bins = np.arange(find_filter.num_bins)
-                elif isinstance(find_filter, openmc.EnergyFunctionFilter):
+                elif isinstance(find_filter, EnergyFunctionFilter):
                     filter_bins = [None]
                 else:
                     filter_bins = find_filter.bins
@@ -3400,7 +3417,7 @@ class Tally(IDManagerMixin):
 
                     # Add AggregateFilter to the tally sum
                     if not remove_filter:
-                        filter_sum = openmc.AggregateFilter(self_filter,
+                        filter_sum = AggregateFilter(self_filter,
                             [tuple(filter_bins)], 'sum')
                         tally_sum.filters.append(filter_sum)
 
@@ -3423,7 +3440,7 @@ class Tally(IDManagerMixin):
             std_dev = np.sqrt(std_dev)
 
             # Add AggregateNuclide to the tally sum
-            nuclide_sum = openmc.AggregateNuclide(nuclides, 'sum')
+            nuclide_sum = AggregateNuclide(nuclides, 'sum')
             tally_sum.nuclides.append(nuclide_sum)
 
         # Add a copy of this tally's nuclides to the tally sum
@@ -3441,7 +3458,7 @@ class Tally(IDManagerMixin):
             std_dev = np.sqrt(std_dev)
 
             # Add AggregateScore to the tally sum
-            score_sum = openmc.AggregateScore(scores, 'sum')
+            score_sum = AggregateScore(scores, 'sum')
             tally_sum.scores.append(score_sum)
 
         # Add a copy of this tally's scores to the tally sum
@@ -3514,16 +3531,16 @@ class Tally(IDManagerMixin):
         std_dev = self.get_reshaped_data(value='std_dev')
 
         # Average across any filter bins specified by the user
-        if isinstance(filter_type, openmc.FilterMeta):
+        if isinstance(filter_type, FilterMeta):
             find_filter = self.find_filter(filter_type)
 
             # If user did not specify filter bins, average across all bins
             if len(filter_bins) == 0:
                 bin_indices = np.arange(find_filter.num_bins)
 
-                if isinstance(find_filter, openmc.DistribcellFilter):
+                if isinstance(find_filter, DistribcellFilter):
                     filter_bins = np.arange(find_filter.num_bins)
-                elif isinstance(find_filter, openmc.EnergyFunctionFilter):
+                elif isinstance(find_filter, EnergyFunctionFilter):
                     filter_bins = [None]
                 else:
                     filter_bins = find_filter.bins
@@ -3553,7 +3570,7 @@ class Tally(IDManagerMixin):
 
                     # Add AggregateFilter to the tally avg
                     if not remove_filter:
-                        filter_sum = openmc.AggregateFilter(self_filter,
+                        filter_sum = AggregateFilter(self_filter,
                             [tuple(filter_bins)], 'avg')
                         tally_avg.filters.append(filter_sum)
 
@@ -3577,7 +3594,7 @@ class Tally(IDManagerMixin):
             std_dev = np.sqrt(std_dev)
 
             # Add AggregateNuclide to the tally avg
-            nuclide_avg = openmc.AggregateNuclide(nuclides, 'avg')
+            nuclide_avg = AggregateNuclide(nuclides, 'avg')
             tally_avg.nuclides.append(nuclide_avg)
 
         # Add a copy of this tally's nuclides to the tally avg
@@ -3596,7 +3613,7 @@ class Tally(IDManagerMixin):
             std_dev = np.sqrt(std_dev)
 
             # Add AggregateScore to the tally avg
-            score_sum = openmc.AggregateScore(scores, 'avg')
+            score_sum = AggregateScore(scores, 'avg')
             tally_avg.scores.append(score_sum)
 
         # Add a copy of this tally's scores to the tally avg
@@ -3786,7 +3803,7 @@ class Tallies(cv.CheckedList):
         already_written = memo if memo else set()
         for tally in self:
             for f in tally.filters:
-                if isinstance(f, openmc.MeshFilter):
+                if isinstance(f, MeshFilter):
                     if f.mesh.id in already_written:
                         continue
                     if len(f.mesh.name) > 0:
@@ -3881,7 +3898,7 @@ class Tallies(cv.CheckedList):
         # Read filter elements
         filters = {}
         for e in elem.findall('filter'):
-            filter = openmc.Filter.from_xml_element(e, meshes=meshes)
+            filter = Filter.from_xml_element(e, meshes=meshes)
             filters[filter.id] = filter
 
         # Read derivative elements
diff --git a/openmc/weight_windows.py b/openmc/weight_windows.py
index 7797986df..63af2596e 100644
--- a/openmc/weight_windows.py
+++ b/openmc/weight_windows.py
@@ -11,6 +11,7 @@ import h5py
 
 import openmc
 from openmc.mesh import MeshBase, RectilinearMesh, CylindricalMesh, SphericalMesh, UnstructuredMesh
+from openmc.tallies import Tallies
 import openmc.checkvalue as cv
 from openmc.checkvalue import PathLike
 from ._xml import get_elem_list, get_text, clean_indentation
@@ -499,6 +500,8 @@ class WeightWindowGenerator:
         Particle type the weight windows apply to
     method : {'magic', 'fw_cadis'}
         The weight window generation methodology applied during an update.
+    targets : :class:`openmc.Tallies` or iterable of int
+        Target tallies for local variance reduction via FW-CADIS.
     max_realizations : int
         The upper limit for number of tally realizations when generating weight
         windows.
@@ -518,6 +521,8 @@ class WeightWindowGenerator:
         Particle type the weight windows apply to
     method : {'magic', 'fw_cadis'}
         The weight window generation methodology applied during an update.
+    targets : :class:`openmc.Tallies` or numpy.ndarray
+        Target tallies for local variance reduction via FW-CADIS.
     max_realizations : int
         The upper limit for number of tally realizations when generating weight
         windows.
@@ -529,7 +534,7 @@ class WeightWindowGenerator:
         Whether or not to apply weight windows on the fly.
     """
 
-    _MAGIC_PARAMS = {'value': str, 'threshold': float, 'ratio': float}
+    _WWG_PARAMS = {'value': str, 'threshold': float, 'ratio': float}
 
     def __init__(
         self,
@@ -537,6 +542,7 @@ class WeightWindowGenerator:
         energy_bounds: Sequence[float] | None = None,
         particle_type: str | int | openmc.ParticleType = 'neutron',
         method: str = 'magic',
+        targets: openmc.Tallies | Iterable[int] | None = None,
         max_realizations: int = 1,
         update_interval: int = 1,
         on_the_fly: bool = True
@@ -549,6 +555,7 @@ class WeightWindowGenerator:
             self.energy_bounds = energy_bounds
         self.particle_type = particle_type
         self.method = method
+        self.targets = targets
         self.max_realizations = max_realizations
         self.update_interval = update_interval
         self.on_the_fly = on_the_fly
@@ -611,6 +618,22 @@ class WeightWindowGenerator:
                 self._check_update_parameters()
             except (TypeError, KeyError):
                 warnings.warn(f'Update parameters are invalid for the "{m}" method.')
+    
+    @property
+    def targets(self) -> openmc.Tallies:
+        return self._targets
+
+    @targets.setter
+    def targets(self, t):
+        if t is None:
+            self._targets = t
+        else:
+            cv.check_type('Local FW-CADIS target tallies', t, Iterable)
+            cv.check_greater_than('Local FW-CADIS target tallies', len(t), 0)
+            if not isinstance(t, openmc.Tallies):
+                cv.check_iterable_type('Local FW-CADIS target tallies', t, int)
+                t = np.asarray(list(t), dtype=int)
+            self._targets = t
 
     @property
     def max_realizations(self) -> int:
@@ -638,13 +661,13 @@ class WeightWindowGenerator:
 
     def _check_update_parameters(self, params: dict):
         if self.method == 'magic' or self.method == 'fw_cadis':
-            check_params = self._MAGIC_PARAMS
+            check_params = self._WWG_PARAMS
 
         for key, val in params.items():
             if key not in check_params:
                 raise ValueError(f'Invalid param "{key}" for {self.method} '
                                   'weight window generation')
-            cv.check_type(f'weight window generation param: "{key}"', val, self._MAGIC_PARAMS[key])
+            cv.check_type(f'weight window generation param: "{key}"', val, self._WWG_PARAMS[key])
 
     @update_parameters.setter
     def update_parameters(self, params: dict):
@@ -681,7 +704,7 @@ class WeightWindowGenerator:
             The update parameters as-read from the XML node (keys: str, values: str)
         """
         if method == 'magic' or method == 'fw_cadis':
-            check_params = cls._MAGIC_PARAMS
+            check_params = cls._WWG_PARAMS
 
         for param, param_type in check_params.items():
             if param in update_parameters:
@@ -707,6 +730,20 @@ class WeightWindowGenerator:
         otf_elem.text = str(self.on_the_fly).lower()
         method_elem = ET.SubElement(element, 'method')
         method_elem.text = self.method
+        if self.targets is not None:
+            if self.method != 'fw_cadis':
+                raise ValueError(
+                    "FW-CADIS update method is required in order to use " \
+                    "target tallies for WeightWindowGenerator.")
+            elif isinstance(self.targets, openmc.Tallies):
+                raise RuntimeError(
+                    "FW-CADIS target tallies must be checked to ensure they are " \
+                    "present on model.tallies. Use model.export_to_xml() or " \
+                    "model.export_to_model_xml() to link FW-CADIS target tallies.")
+            else:
+                targets_elem = ET.SubElement(element, 'targets')
+                targets_elem.text = ' '.join(str(tally_id) for tally_id in self.targets)
+
         if self.update_parameters is not None:
             self._update_parameters_subelement(element)
 
@@ -733,8 +770,8 @@ class WeightWindowGenerator:
 
         mesh_id = int(get_text(elem, 'mesh'))
         mesh = meshes[mesh_id]
-
-        energy_bounds = get_elem_list(elem, "energy_bounds, float")
+        
+        energy_bounds = get_elem_list(elem, "energy_bounds", float)
         particle_type = get_text(elem, 'particle_type')
 
         wwg = cls(mesh, energy_bounds, particle_type)
@@ -743,6 +780,14 @@ class WeightWindowGenerator:
         wwg.update_interval = int(get_text(elem, 'update_interval'))
         wwg.on_the_fly = bool(get_text(elem, 'on_the_fly'))
         wwg.method = get_text(elem, 'method')
+        targets_elem = elem.find('targets')
+        if targets_elem is not None:
+            if wwg.method != 'fw_cadis':
+                raise ValueError(
+                    "FW-CADIS update method is required in order to use " \
+                    "target tallies for WeightWindowGenerator.")
+            else:
+                wwg.targets = get_elem_list(elem, "targets")
 
         if elem.find('update_parameters') is not None:
             update_parameters = {}
diff --git a/src/random_ray/flat_source_domain.cpp b/src/random_ray/flat_source_domain.cpp
index 1a6e7c0be..06c6ef14d 100644
--- a/src/random_ray/flat_source_domain.cpp
+++ b/src/random_ray/flat_source_domain.cpp
@@ -31,9 +31,11 @@ RandomRayVolumeEstimator FlatSourceDomain::volume_estimator_ {
   RandomRayVolumeEstimator::HYBRID};
 bool FlatSourceDomain::volume_normalized_flux_tallies_ {false};
 bool FlatSourceDomain::adjoint_ {false};
+bool FlatSourceDomain::fw_cadis_local_ {false};
 double FlatSourceDomain::diagonal_stabilization_rho_ {1.0};
 std::unordered_map<int, vector<std::pair<Source::DomainType, int>>>
   FlatSourceDomain::mesh_domain_map_;
+std::vector<size_t> FlatSourceDomain::fw_cadis_local_targets_;
 
 FlatSourceDomain::FlatSourceDomain() : negroups_(data::mg.num_energy_groups_)
 {
@@ -1000,7 +1002,9 @@ void FlatSourceDomain::output_to_vtk() const
 void FlatSourceDomain::apply_external_source_to_source_region(
   int src_idx, SourceRegionHandle& srh)
 {
-  auto s = model::external_sources[src_idx].get();
+  auto s = (adjoint_ && !model::adjoint_sources.empty())
+             ? model::adjoint_sources[src_idx].get()
+             : model::external_sources[src_idx].get();
   auto is = dynamic_cast<IndependentSource*>(s);
   auto discrete = dynamic_cast<Discrete*>(is->energy());
   double strength_factor = is->strength();
@@ -1071,13 +1075,17 @@ void FlatSourceDomain::count_external_source_regions()
   }
 }
 
-void FlatSourceDomain::convert_external_sources()
+void FlatSourceDomain::convert_external_sources(bool use_adjoint_sources)
 {
+  // Determine whether forward or (local) adjoint sources are desired
+  const auto& sources =
+    use_adjoint_sources ? model::adjoint_sources : model::external_sources;
+
   // Loop over external sources
-  for (int es = 0; es < model::external_sources.size(); es++) {
+  for (int es = 0; es < sources.size(); es++) {
 
     // Extract source information
-    Source* s = model::external_sources[es].get();
+    Source* s = sources[es].get();
     IndependentSource* is = dynamic_cast<IndependentSource*>(s);
     Discrete* energy = dynamic_cast<Discrete*>(is->energy());
     const std::unordered_set<int32_t>& domain_ids = is->domain_ids();
@@ -1223,7 +1231,7 @@ void FlatSourceDomain::flatten_xs()
   }
 }
 
-void FlatSourceDomain::set_adjoint_sources()
+void FlatSourceDomain::set_fw_adjoint_sources()
 {
   // Set the adjoint external source to 1/forward_flux. If the forward flux is
   // negative, zero, or extremely close to zero, set the adjoint source to zero,
@@ -1252,6 +1260,10 @@ void FlatSourceDomain::set_adjoint_sources()
         source_regions_.external_source(sr, g) = 0.0;
       } else {
         source_regions_.external_source(sr, g) = 1.0 / flux;
+        if (!std::isfinite(source_regions_.external_source(sr, g))) {
+          // If the flux is NaN or Inf, set the adjoint source to zero
+          source_regions_.external_source(sr, g) = 0.0;
+        }
       }
       if (flux > 0.0) {
         source_regions_.external_source_present(sr) = 1;
@@ -1283,6 +1295,7 @@ void FlatSourceDomain::set_adjoint_sources()
       source_regions_.external_source_present(sr) = 0;
     }
   }
+
   // Divide the fixed source term by sigma t (to save time when applying each
   // iteration)
 #pragma omp parallel for
@@ -1297,8 +1310,86 @@ void FlatSourceDomain::set_adjoint_sources()
         sigma_t_[(material * ntemperature_ + temp) * negroups_ + g] *
         source_regions_.density_mult(sr);
       source_regions_.external_source(sr, g) /= sigma_t;
+      if (!std::isfinite(source_regions_.external_source(sr, g))) {
+        // If the flux is NaN or Inf, set the adjoint source to zero
+        source_regions_.external_source(sr, g) = 0.0;
+      }
     }
   }
+
+  if (fw_cadis_local_) {
+// Only external sources that have a non-mesh type tally task should remain
+// non-zero. Everything else gets zero'd out.
+#pragma omp parallel for
+    for (int64_t sr = 0; sr < n_source_regions(); sr++) {
+
+      // If there is already no external source, don't need to do anything
+      if (source_regions_.external_source_present(sr) == 0) {
+        continue;
+      }
+
+      // If there is an adjoint source term here, then we need to check it.
+
+      // We will track if ANY group has a valid local FW-CADIS source term
+      bool has_any_sources = false;
+
+      // Now, loop over groups
+      for (int g = 0; g < negroups_; g++) {
+
+        // If there are no tally tasks associated with this source element
+        // then it is not a local FW-CADIS source, so we continue to the next
+        // group
+        if (source_regions_.tally_task(sr, g).empty()) {
+          source_regions_.external_source(sr, g) = 0.0;
+          continue;
+        }
+
+        // If there are tally tasks, we can through them and check if
+        // any of them are local FW-CADIS targets.
+
+        // We track if ANY of the tasks are local FW-CADIS target tallies
+        bool local_fw_cadis_target_region = false;
+
+        // Now we loop through
+        for (const auto& task : source_regions_.tally_task(sr, g)) {
+          Tally& tally {*model::tallies[task.tally_idx]};
+          const auto t_id = tally.id();
+
+          // Search for target tallies
+          if (std::find(fw_cadis_local_targets_.begin(),
+                fw_cadis_local_targets_.end(),
+                t_id) != fw_cadis_local_targets_.end()) {
+            local_fw_cadis_target_region = true;
+            break;
+          }
+        }
+
+        // If ANY of the tasks is a local FW-CADIS target,
+        // Then we keep the source term and set that this
+        // source region has a valid FW-CADIS source term.
+        // Otherwise, we zero out the source term.
+        if (local_fw_cadis_target_region) {
+          has_any_sources = true;
+        } else {
+          source_regions_.external_source(sr, g) = 0.0;
+        }
+      } // End loop over groups
+
+      // If there were any valid FW-CADIS source terms for any
+      // of the groups, then the SR as a whole counts as a source
+      if (has_any_sources) {
+        source_regions_.external_source_present(sr) = 1;
+      } else {
+        source_regions_.external_source_present(sr) = 0;
+      }
+    } // End loop over source regions
+  } // End local FW-CADIS logic
+}
+
+void FlatSourceDomain::set_local_adjoint_sources()
+{
+  // Set the external source to user-specified adjoint sources.
+  convert_external_sources(true);
 }
 
 void FlatSourceDomain::transpose_scattering_matrix()
diff --git a/src/random_ray/random_ray_simulation.cpp b/src/random_ray/random_ray_simulation.cpp
index 80cbfc3fe..24650afb8 100644
--- a/src/random_ray/random_ray_simulation.cpp
+++ b/src/random_ray/random_ray_simulation.cpp
@@ -168,14 +168,12 @@ void validate_random_ray_inputs()
                     "constrained by domain id (cell, material, or universe) in "
                     "random ray mode.");
       } else if (is->domain_ids().size() > 0 && sp) {
-        // If both a domain constraint and a non-default point source location
-        // are specified, notify user that domain constraint takes precedence.
-        if (sp->r().x == 0.0 && sp->r().y == 0.0 && sp->r().z == 0.0) {
-          warning("Fixed source has both a domain constraint and a point "
-                  "type spatial distribution. The domain constraint takes "
-                  "precedence in random ray mode -- point source coordinate "
-                  "will be ignored.");
-        }
+        // If both a domain constraint and a point source location are
+        // specified, notify user that domain constraint takes precedence.
+        warning("Fixed source has both a domain constraint and a point "
+                "type spatial distribution. The domain constraint takes "
+                "precedence in random ray mode -- point source coordinate "
+                "will be ignored.");
       }
 
       // Check that a discrete energy distribution was used
@@ -189,6 +187,56 @@ void validate_random_ray_inputs()
     }
   }
 
+  // Validate adjoint sources
+  ///////////////////////////////////////////////////////////////////
+  if (FlatSourceDomain::adjoint_ && !model::adjoint_sources.empty()) {
+    for (int i = 0; i < model::adjoint_sources.size(); i++) {
+      Source* s = model::adjoint_sources[i].get();
+
+      // Check for independent source
+      IndependentSource* is = dynamic_cast<IndependentSource*>(s);
+
+      if (!is) {
+        fatal_error(
+          "Only IndependentSource adjoint source types are allowed in "
+          "random ray mode");
+      }
+
+      // Check for isotropic source
+      UnitSphereDistribution* angle_dist = is->angle();
+      Isotropic* id = dynamic_cast<Isotropic*>(angle_dist);
+      if (!id) {
+        fatal_error(
+          "Invalid source definition -- only isotropic adjoint sources are "
+          "allowed in random ray mode.");
+      }
+
+      // Validate that a domain ID was specified OR that it is a point source
+      auto sp = dynamic_cast<SpatialPoint*>(is->space());
+      if (is->domain_ids().size() == 0 && !sp) {
+        fatal_error("Adjoint sources must be point source or spatially "
+                    "constrained by domain id (cell, material, or universe) in "
+                    "random ray mode.");
+      } else if (is->domain_ids().size() > 0 && sp) {
+        // If both a domain constraint and a point source location are
+        // specified, notify user that domain constraint takes precedence.
+        warning("Adjoint source has both a domain constraint and a point "
+                "type spatial distribution. The domain constraint takes "
+                "precedence in random ray mode -- point source coordinate "
+                "will be ignored.");
+      }
+
+      // Check that a discrete energy distribution was used
+      Distribution* d = is->energy();
+      Discrete* dd = dynamic_cast<Discrete*>(d);
+      if (!dd) {
+        fatal_error(
+          "Only discrete (multigroup) energy distributions are allowed for "
+          "adjoint sources in random ray mode.");
+      }
+    }
+  }
+
   // Validate plotting files
   ///////////////////////////////////////////////////////////////////
   for (int p = 0; p < model::plots.size(); p++) {
@@ -232,20 +280,22 @@ void validate_random_ray_inputs()
     warning(
       "Linear sources may result in negative fluxes in small source regions "
       "generated by mesh subdivision. Negative sources may result in low "
-      "quality FW-CADIS weight windows. We recommend you use flat source mode "
-      "when generating weight windows with an overlaid mesh tally.");
+      "quality FW-CADIS weight windows. We recommend you use flat source "
+      "mode when generating weight windows with an overlaid mesh tally.");
   }
 }
 
-void print_adjoint_header()
+void openmc_finalize_random_ray()
 {
-  if (!FlatSourceDomain::adjoint_)
-    // If we're going to do an adjoint simulation afterwards, report that this
-    // is the initial forward flux solve.
-    header("FORWARD FLUX SOLVE", 3);
-  else
-    // Otherwise report that we are doing the adjoint simulation
-    header("ADJOINT FLUX SOLVE", 3);
+  FlatSourceDomain::volume_estimator_ = RandomRayVolumeEstimator::HYBRID;
+  FlatSourceDomain::volume_normalized_flux_tallies_ = false;
+  FlatSourceDomain::adjoint_ = false;
+  FlatSourceDomain::fw_cadis_local_ = false;
+  FlatSourceDomain::fw_cadis_local_targets_.clear();
+  FlatSourceDomain::mesh_domain_map_.clear();
+  RandomRay::ray_source_.reset();
+  RandomRay::source_shape_ = RandomRaySourceShape::FLAT;
+  RandomRay::sample_method_ = RandomRaySampleMethod::PRNG;
 }
 
 //==============================================================================
@@ -278,16 +328,6 @@ RandomRaySimulation::RandomRaySimulation()
   // Convert OpenMC native MGXS into a more efficient format
   // internal to the random ray solver
   domain_->flatten_xs();
-
-  // Check if adjoint calculation is needed. If it is, we will run the forward
-  // calculation first and then the adjoint calculation later.
-  adjoint_needed_ = FlatSourceDomain::adjoint_;
-
-  // Adjoint is always false for the forward calculation
-  FlatSourceDomain::adjoint_ = false;
-
-  // The first simulation is run after initialization
-  is_first_simulation_ = true;
 }
 
 void RandomRaySimulation::apply_fixed_sources_and_mesh_domains()
@@ -295,30 +335,52 @@ void RandomRaySimulation::apply_fixed_sources_and_mesh_domains()
   domain_->apply_meshes();
   if (settings::run_mode == RunMode::FIXED_SOURCE) {
     // Transfer external source user inputs onto random ray source regions
-    domain_->convert_external_sources();
+    domain_->convert_external_sources(false);
     domain_->count_external_source_regions();
   }
 }
 
-void RandomRaySimulation::prepare_fixed_sources_adjoint()
+void RandomRaySimulation::prepare_fw_fixed_sources_adjoint()
 {
+  // Prepare adjoint fixed sources using forward flux
   domain_->source_regions_.adjoint_reset();
   if (settings::run_mode == RunMode::FIXED_SOURCE) {
-    domain_->set_adjoint_sources();
+    domain_->set_fw_adjoint_sources();
   }
 }
 
-void RandomRaySimulation::prepare_adjoint_simulation()
+void RandomRaySimulation::prepare_local_fixed_sources_adjoint()
 {
-  // Configure the domain for adjoint simulation
-  FlatSourceDomain::adjoint_ = true;
+  if (settings::run_mode == RunMode::FIXED_SOURCE) {
+    domain_->set_local_adjoint_sources();
+  }
+}
+
+void RandomRaySimulation::prepare_adjoint_simulation(bool fw_adjoint)
+{
+  reset_timers();
+
+  if (mpi::master)
+    header("ADJOINT FLUX SOLVE", 3);
+
+  if (fw_adjoint) {
+    // Forward simulation has already been run;
+    // Configure the domain for adjoint simulation and
+    // re-initialize OpenMC general data structures
+    FlatSourceDomain::adjoint_ = true;
+
+    openmc_simulation_init();
+
+    prepare_fw_fixed_sources_adjoint();
+  } else {
+    // Initialize adjoint fixed sources
+    domain_->apply_meshes();
+    prepare_local_fixed_sources_adjoint();
+    domain_->count_external_source_regions();
+  }
 
-  // Reset k-eff
   domain_->k_eff_ = 1.0;
 
-  // Initialize adjoint fixed sources, if present
-  prepare_fixed_sources_adjoint();
-
   // Transpose scattering matrix
   domain_->transpose_scattering_matrix();
 
@@ -328,18 +390,6 @@ void RandomRaySimulation::prepare_adjoint_simulation()
 
 void RandomRaySimulation::simulate()
 {
-  if (!is_first_simulation_) {
-    if (mpi::master && adjoint_needed_)
-      openmc::print_adjoint_header();
-
-    // Reset the timers and reinitialize the general OpenMC datastructures if
-    // this is after the first simulation
-    reset_timers();
-
-    // Initialize OpenMC general data structures
-    openmc_simulation_init();
-  }
-
   // Begin main simulation timer
   simulation::time_total.start();
 
@@ -435,7 +485,7 @@ void RandomRaySimulation::simulate()
   // End main simulation timer
   simulation::time_total.stop();
 
-  // Normalize and save the final flux
+  // Normalize and save the final forward flux
   double source_normalization_factor =
     domain_->compute_fixed_source_normalization_factor() /
     (settings::n_batches - settings::n_inactive);
@@ -451,11 +501,6 @@ void RandomRaySimulation::simulate()
 
   // Output all simulation results
   output_simulation_results();
-
-  // Toggle that the simulation object has been initialized after the first
-  // simulation
-  if (is_first_simulation_)
-    is_first_simulation_ = false;
 }
 
 void RandomRaySimulation::output_simulation_results() const
@@ -622,17 +667,6 @@ void RandomRaySimulation::print_results_random_ray(
   }
 }
 
-void openmc_finalize_random_ray()
-{
-  FlatSourceDomain::volume_estimator_ = RandomRayVolumeEstimator::HYBRID;
-  FlatSourceDomain::volume_normalized_flux_tallies_ = false;
-  FlatSourceDomain::adjoint_ = false;
-  FlatSourceDomain::mesh_domain_map_.clear();
-  RandomRay::ray_source_.reset();
-  RandomRay::source_shape_ = RandomRaySourceShape::FLAT;
-  RandomRay::sample_method_ = RandomRaySampleMethod::PRNG;
-}
-
 } // namespace openmc
 
 //==============================================================================
@@ -645,12 +679,25 @@ void openmc_run_random_ray()
   // Run forward simulation
   //////////////////////////////////////////////////////////
 
-  if (openmc::mpi::master) {
-    if (openmc::FlatSourceDomain::adjoint_) {
-      openmc::FlatSourceDomain::adjoint_ = false;
-      openmc::print_adjoint_header();
-      openmc::FlatSourceDomain::adjoint_ = true;
-    }
+  // Check if adjoint calculation is needed, and if local adjoint source(s)
+  // are present. If an adjoint calculation is needed and no sources are
+  // specified, we will run a forward calculation first to calculate adjoint
+  // sources for global variance reduction, then perform an adjoint
+  // calculation later.
+  bool adjoint_needed = openmc::FlatSourceDomain::adjoint_;
+  bool fw_adjoint = openmc::model::adjoint_sources.empty() && adjoint_needed;
+
+  // If we're going to do an adjoint simulation with forward-weighted adjoint
+  // sources afterwards, report that this is the initial forward flux solve.
+  if (!adjoint_needed || fw_adjoint) {
+    // Configure the domain for forward simulation
+    openmc::FlatSourceDomain::adjoint_ = false;
+
+    if (adjoint_needed && openmc::mpi::master)
+      openmc::header("FORWARD FLUX SOLVE", 3);
+  } else {
+    // Configure domain for adjoint simulation (later)
+    openmc::FlatSourceDomain::adjoint_ = true;
   }
 
   // Initialize OpenMC general data structures
@@ -663,21 +710,25 @@ void openmc_run_random_ray()
   // Initialize Random Ray Simulation Object
   openmc::RandomRaySimulation sim;
 
-  // Initialize fixed sources, if present
-  sim.apply_fixed_sources_and_mesh_domains();
+  if (!adjoint_needed || fw_adjoint) {
+    // Initialize fixed sources, if present
+    sim.apply_fixed_sources_and_mesh_domains();
 
-  // Run initial random ray simulation
-  sim.simulate();
+    // Execute random ray simulation
+    sim.simulate();
+  }
 
   //////////////////////////////////////////////////////////
   // Run adjoint simulation (if enabled)
   //////////////////////////////////////////////////////////
 
-  if (sim.adjoint_needed_) {
-    // Setup for adjoint simulation
-    sim.prepare_adjoint_simulation();
-
-    // Run adjoint simulation
-    sim.simulate();
+  if (!adjoint_needed) {
+    return;
   }
+
+  // Setup for adjoint simulation
+  sim.prepare_adjoint_simulation(fw_adjoint);
+
+  // Execute random ray simulation
+  sim.simulate();
 }
diff --git a/src/settings.cpp b/src/settings.cpp
index ab9f9a5aa..bb6991da9 100644
--- a/src/settings.cpp
+++ b/src/settings.cpp
@@ -280,8 +280,9 @@ void get_run_parameters(pugi::xml_node node_base)
     } else {
       fatal_error("Specify random ray inactive distance in settings XML");
     }
-    if (check_for_node(random_ray_node, "source")) {
-      xml_node source_node = random_ray_node.child("source");
+    if (check_for_node(random_ray_node, "ray_source")) {
+      xml_node ray_source_node = random_ray_node.child("ray_source");
+      xml_node source_node = ray_source_node.child("source");
       // Get point to list of <source> elements and make sure there is at least
       // one
       RandomRay::ray_source_ = Source::create(source_node);
@@ -369,6 +370,13 @@ void get_run_parameters(pugi::xml_node node_base)
                     "between 0 and 1");
       }
     }
+    if (check_for_node(random_ray_node, "adjoint_source")) {
+      pugi::xml_node adj_source_node = random_ray_node.child("adjoint_source");
+      for (pugi::xml_node source_node : adj_source_node.children("source")) {
+        // Find any local adjoint sources
+        model::adjoint_sources.push_back(Source::create(source_node));
+      }
+    }
   }
 }
 
@@ -1276,6 +1284,16 @@ void read_settings_xml(pugi::xml_node root)
         break;
       }
     }
+    // If any weight window generators have local FW-CADIS target tallies,
+    // user-defined adjoint sources cannot be used at the same time.
+    if (!model::adjoint_sources.empty()) {
+      for (const auto& wwg : variance_reduction::weight_windows_generators) {
+        if (!wwg->targets_.empty()) {
+          fatal_error("Cannot use both user-defined adjoint sources and "
+                      "FW-CADIS target tallies at the same time.");
+        }
+      }
+    }
   }
 
   // Set up weight window checkpoints
diff --git a/src/source.cpp b/src/source.cpp
index f0b8f48ed..524a72bf0 100644
--- a/src/source.cpp
+++ b/src/source.cpp
@@ -62,6 +62,8 @@ namespace model {
 
 vector<unique_ptr<Source>> external_sources;
 
+vector<unique_ptr<Source>> adjoint_sources;
+
 DiscreteIndex external_sources_probability;
 
 } // namespace model
@@ -710,6 +712,7 @@ SourceSite sample_external_source(uint64_t* seed)
 void free_memory_source()
 {
   model::external_sources.clear();
+  model::adjoint_sources.clear();
   reset_source_rejection_counters();
 }
 
diff --git a/src/weight_windows.cpp b/src/weight_windows.cpp
index c00872e56..0614110cd 100644
--- a/src/weight_windows.cpp
+++ b/src/weight_windows.cpp
@@ -621,7 +621,7 @@ void WeightWindows::update_weights(const Tally* tally, const std::string& value,
       }
     }
   } else {
-    // For FW-CADIS, weight windows are inversely proportional to the adjoint
+    // For (FW-)CADIS, weight windows are inversely proportional to the adjoint
     // fluxes. We normalize the weight windows across all energy groups.
 #pragma omp parallel for collapse(2) schedule(static)
     for (int e = 0; e < e_bins; e++) {
@@ -801,6 +801,13 @@ WeightWindowsGenerator::WeightWindowsGenerator(pugi::xml_node node)
       fatal_error("FW-CADIS can only be run in random ray solver mode.");
     }
     FlatSourceDomain::adjoint_ = true;
+    if (check_for_node(node, "targets")) {
+      FlatSourceDomain::fw_cadis_local_ = true;
+      targets_ = get_node_array<size_t>(node, "targets");
+      FlatSourceDomain::fw_cadis_local_targets_.insert(
+        std::end(FlatSourceDomain::fw_cadis_local_targets_),
+        std::begin(targets_), std::end(targets_));
+    }
   } else {
     fatal_error(fmt::format(
       "Unknown weight window update method '{}' specified", method_string));
diff --git a/tests/regression_tests/random_ray_adjoint_fixed_source/inputs_true.dat b/tests/regression_tests/random_ray_adjoint_fixed_source/inputs_true.dat
index 0adfc5488..94e270976 100644
--- a/tests/regression_tests/random_ray_adjoint_fixed_source/inputs_true.dat
+++ b/tests/regression_tests/random_ray_adjoint_fixed_source/inputs_true.dat
@@ -207,11 +207,13 @@
     <random_ray>
       <distance_active>500.0</distance_active>
       <distance_inactive>100.0</distance_inactive>
-      <source type="independent" strength="1.0" particle="neutron">
-        <space type="box">
-          <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
-        </space>
-      </source>
+      <ray_source>
+        <source type="independent" strength="1.0" particle="neutron">
+          <space type="box">
+            <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
+          </space>
+        </source>
+      </ray_source>
       <volume_normalized_flux_tallies>true</volume_normalized_flux_tallies>
       <adjoint>true</adjoint>
       <volume_estimator>naive</volume_estimator>
diff --git a/tests/regression_tests/random_ray_adjoint_k_eff/inputs_true.dat b/tests/regression_tests/random_ray_adjoint_k_eff/inputs_true.dat
index 073348c41..755afd6c4 100644
--- a/tests/regression_tests/random_ray_adjoint_k_eff/inputs_true.dat
+++ b/tests/regression_tests/random_ray_adjoint_k_eff/inputs_true.dat
@@ -80,11 +80,13 @@
     <random_ray>
       <distance_active>100.0</distance_active>
       <distance_inactive>20.0</distance_inactive>
-      <source type="independent" strength="1.0" particle="neutron">
-        <space type="box">
-          <parameters>-1.26 -1.26 -1 1.26 1.26 1</parameters>
-        </space>
-      </source>
+      <ray_source>
+        <source type="independent" strength="1.0" particle="neutron">
+          <space type="box">
+            <parameters>-1.26 -1.26 -1 1.26 1.26 1</parameters>
+          </space>
+        </source>
+      </ray_source>
       <volume_normalized_flux_tallies>true</volume_normalized_flux_tallies>
       <adjoint>true</adjoint>
     </random_ray>
diff --git a/tests/regression_tests/random_ray_adjoint_local/__init__.py b/tests/regression_tests/random_ray_adjoint_local/__init__.py
new file mode 100644
index 000000000..e69de29bb
diff --git a/tests/regression_tests/random_ray_adjoint_local/inputs_true.dat b/tests/regression_tests/random_ray_adjoint_local/inputs_true.dat
new file mode 100644
index 000000000..9021d1675
--- /dev/null
+++ b/tests/regression_tests/random_ray_adjoint_local/inputs_true.dat
@@ -0,0 +1,293 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <cross_sections>mgxs.h5</cross_sections>
+    <material id="1" name="source">
+      <density value="1.0" units="macro"/>
+      <macroscopic name="source"/>
+    </material>
+    <material id="2" name="cavity">
+      <density value="1.0" units="macro"/>
+      <macroscopic name="cavity"/>
+    </material>
+    <material id="3" name="absorber">
+      <density value="1.0" units="macro"/>
+      <macroscopic name="absorber"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" name="infinite source region" material="1" universe="1"/>
+    <cell id="2" name="cube cavity region" material="2" universe="2"/>
+    <cell id="3" name="absorber region" material="3" universe="3"/>
+    <cell id="4" fill="4" universe="5"/>
+    <cell id="5" name="full domain" fill="5" region="1 -2 3 -4 5 -6" universe="6"/>
+    <cell id="6" name="detector 1" material="3" region="1 -10 4 -8 5 -11" universe="6"/>
+    <cell id="7" name="detector 2" material="3" region="2 -7 4 -8 6 -9" universe="6"/>
+    <cell id="8" name="outside cube" material="2" region="(2 3 5 -7 ((-8 -6) | (-4 6 -9))) | (4 -8 ((10 -2 5 -9) | (-10 1 11 -9) | (2 -7 5 -6))) | (1 3 6 -9 ((-8 -2) | (-4 2 -7)))" universe="6"/>
+    <lattice id="4">
+      <pitch>2.5 2.5 2.5</pitch>
+      <dimension>12 12 12</dimension>
+      <lower_left>0.0 0.0 0.0</lower_left>
+      <universes>
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+1 1 2 2 2 2 2 2 2 2 3 3 
+1 1 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+1 1 2 2 2 2 2 2 2 2 3 3 
+1 1 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 </universes>
+    </lattice>
+    <surface id="1" type="x-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="2" type="x-plane" coeffs="30.0"/>
+    <surface id="3" type="y-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="4" type="y-plane" coeffs="30.0"/>
+    <surface id="5" type="z-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="6" type="z-plane" coeffs="30.0"/>
+    <surface id="7" type="x-plane" boundary="vacuum" coeffs="35.0"/>
+    <surface id="8" type="y-plane" boundary="vacuum" coeffs="35.0"/>
+    <surface id="9" type="z-plane" boundary="vacuum" coeffs="35.0"/>
+    <surface id="10" type="x-plane" coeffs="5.0"/>
+    <surface id="11" type="z-plane" coeffs="5.0"/>
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>500</particles>
+    <batches>10</batches>
+    <inactive>5</inactive>
+    <source type="independent" strength="3.14" particle="neutron">
+      <energy type="discrete">
+        <parameters>100.0 1.0</parameters>
+      </energy>
+      <constraints>
+        <domain_type>universe</domain_type>
+        <domain_ids>1</domain_ids>
+      </constraints>
+    </source>
+    <energy_mode>multi-group</energy_mode>
+    <random_ray>
+      <distance_active>800.0</distance_active>
+      <distance_inactive>100.0</distance_inactive>
+      <ray_source>
+        <source type="independent" strength="1.0" particle="neutron">
+          <space type="box">
+            <parameters>0.0 0.0 0.0 35.0 35.0 35.0</parameters>
+          </space>
+        </source>
+      </ray_source>
+      <volume_normalized_flux_tallies>true</volume_normalized_flux_tallies>
+      <source_region_meshes>
+        <mesh id="1">
+          <domain id="6" type="universe"/>
+        </mesh>
+      </source_region_meshes>
+      <adjoint>true</adjoint>
+      <adjoint_source>
+        <source type="independent" strength="3.14" particle="neutron">
+          <energy type="discrete">
+            <parameters>100.0 1.0</parameters>
+          </energy>
+          <constraints>
+            <domain_type>cell</domain_type>
+            <domain_ids>6 7</domain_ids>
+          </constraints>
+        </source>
+      </adjoint_source>
+      <volume_estimator>naive</volume_estimator>
+    </random_ray>
+    <mesh id="1">
+      <dimension>14 14 14</dimension>
+      <lower_left>0.0 0.0 0.0</lower_left>
+      <upper_right>35.0 35.0 35.0</upper_right>
+    </mesh>
+  </settings>
+  <tallies>
+    <filter id="1" type="cell">
+      <bins>6</bins>
+    </filter>
+    <filter id="2" type="cell">
+      <bins>7</bins>
+    </filter>
+    <filter id="3" type="material">
+      <bins>3</bins>
+    </filter>
+    <filter id="4" type="material">
+      <bins>2</bins>
+    </filter>
+    <filter id="5" type="material">
+      <bins>1</bins>
+    </filter>
+    <tally id="1" name="Detector 1 Tally">
+      <filters>1</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="2" name="Detector 2 Tally">
+      <filters>2</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="3" name="Absorber Tally">
+      <filters>3</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="4" name="Cavity Tally">
+      <filters>4</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="5" name="Source Tally">
+      <filters>5</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/random_ray_adjoint_local/results_true.dat b/tests/regression_tests/random_ray_adjoint_local/results_true.dat
new file mode 100644
index 000000000..daa948565
--- /dev/null
+++ b/tests/regression_tests/random_ray_adjoint_local/results_true.dat
@@ -0,0 +1,15 @@
+tally 1:
+2.215273E+01
+9.815738E+01
+tally 2:
+1.873933E+01
+7.023420E+01
+tally 3:
+4.802282E-01
+4.612707E-02
+tally 4:
+2.516720E-01
+1.271063E-02
+tally 5:
+1.169938E-02
+3.277334E-05
diff --git a/tests/regression_tests/random_ray_adjoint_local/test.py b/tests/regression_tests/random_ray_adjoint_local/test.py
new file mode 100644
index 000000000..c11b8e847
--- /dev/null
+++ b/tests/regression_tests/random_ray_adjoint_local/test.py
@@ -0,0 +1,35 @@
+import os
+import openmc
+
+from openmc.examples import random_ray_three_region_cube_with_detectors
+
+from tests.testing_harness import TolerantPyAPITestHarness
+
+
+class MGXSTestHarness(TolerantPyAPITestHarness):
+    def _cleanup(self):
+        super()._cleanup()
+        f = 'mgxs.h5'
+        if os.path.exists(f):
+            os.remove(f)
+
+
+def test_random_ray_adjoint_local():
+    model = random_ray_three_region_cube_with_detectors()
+
+    detector1_cells = model.geometry.get_cells_by_name("detector 1")
+    detector2_cells = model.geometry.get_cells_by_name("detector 2")
+    detector_cells = detector1_cells + detector2_cells
+
+    strengths = [1.0]
+    midpoints = [100.0]
+    energy_distribution = openmc.stats.Discrete(x=midpoints, p=strengths)
+
+    adj_source = openmc.IndependentSource(energy=energy_distribution, constraints={
+                                          'domains': detector_cells}, strength=3.14)
+    
+    model.settings.random_ray['adjoint'] = True
+    model.settings.random_ray['adjoint_source'] = adj_source
+    model.settings.random_ray['volume_estimator'] = 'naive'
+    harness = MGXSTestHarness('statepoint.10.h5', model)
+    harness.main()
diff --git a/tests/regression_tests/random_ray_auto_convert/infinite_medium/inputs_true.dat b/tests/regression_tests/random_ray_auto_convert/infinite_medium/inputs_true.dat
index 464c89a5d..86d5ec4ab 100644
--- a/tests/regression_tests/random_ray_auto_convert/infinite_medium/inputs_true.dat
+++ b/tests/regression_tests/random_ray_auto_convert/infinite_medium/inputs_true.dat
@@ -41,11 +41,13 @@
     </source>
     <energy_mode>multi-group</energy_mode>
     <random_ray>
-      <source type="independent" strength="1.0" particle="neutron">
-        <space type="box">
-          <parameters>-0.63 -0.63 -1.0 0.63 0.63 1.0</parameters>
-        </space>
-      </source>
+      <ray_source>
+        <source type="independent" strength="1.0" particle="neutron">
+          <space type="box">
+            <parameters>-0.63 -0.63 -1.0 0.63 0.63 1.0</parameters>
+          </space>
+        </source>
+      </ray_source>
       <distance_inactive>30.0</distance_inactive>
       <distance_active>150.0</distance_active>
       <source_region_meshes>
diff --git a/tests/regression_tests/random_ray_auto_convert/material_wise/inputs_true.dat b/tests/regression_tests/random_ray_auto_convert/material_wise/inputs_true.dat
index 464c89a5d..86d5ec4ab 100644
--- a/tests/regression_tests/random_ray_auto_convert/material_wise/inputs_true.dat
+++ b/tests/regression_tests/random_ray_auto_convert/material_wise/inputs_true.dat
@@ -41,11 +41,13 @@
     </source>
     <energy_mode>multi-group</energy_mode>
     <random_ray>
-      <source type="independent" strength="1.0" particle="neutron">
-        <space type="box">
-          <parameters>-0.63 -0.63 -1.0 0.63 0.63 1.0</parameters>
-        </space>
-      </source>
+      <ray_source>
+        <source type="independent" strength="1.0" particle="neutron">
+          <space type="box">
+            <parameters>-0.63 -0.63 -1.0 0.63 0.63 1.0</parameters>
+          </space>
+        </source>
+      </ray_source>
       <distance_inactive>30.0</distance_inactive>
       <distance_active>150.0</distance_active>
       <source_region_meshes>
diff --git a/tests/regression_tests/random_ray_auto_convert/stochastic_slab/inputs_true.dat b/tests/regression_tests/random_ray_auto_convert/stochastic_slab/inputs_true.dat
index 464c89a5d..86d5ec4ab 100644
--- a/tests/regression_tests/random_ray_auto_convert/stochastic_slab/inputs_true.dat
+++ b/tests/regression_tests/random_ray_auto_convert/stochastic_slab/inputs_true.dat
@@ -41,11 +41,13 @@
     </source>
     <energy_mode>multi-group</energy_mode>
     <random_ray>
-      <source type="independent" strength="1.0" particle="neutron">
-        <space type="box">
-          <parameters>-0.63 -0.63 -1.0 0.63 0.63 1.0</parameters>
-        </space>
-      </source>
+      <ray_source>
+        <source type="independent" strength="1.0" particle="neutron">
+          <space type="box">
+            <parameters>-0.63 -0.63 -1.0 0.63 0.63 1.0</parameters>
+          </space>
+        </source>
+      </ray_source>
       <distance_inactive>30.0</distance_inactive>
       <distance_active>150.0</distance_active>
       <source_region_meshes>
diff --git a/tests/regression_tests/random_ray_auto_convert_kappa_fission/infinite_medium/inputs_true.dat b/tests/regression_tests/random_ray_auto_convert_kappa_fission/infinite_medium/inputs_true.dat
index 9f3a827f6..b00935ef3 100644
--- a/tests/regression_tests/random_ray_auto_convert_kappa_fission/infinite_medium/inputs_true.dat
+++ b/tests/regression_tests/random_ray_auto_convert_kappa_fission/infinite_medium/inputs_true.dat
@@ -41,11 +41,13 @@
     </source>
     <energy_mode>multi-group</energy_mode>
     <random_ray>
-      <source type="independent" strength="1.0" particle="neutron">
-        <space type="box">
-          <parameters>-0.63 -0.63 -1.0 0.63 0.63 1.0</parameters>
-        </space>
-      </source>
+      <ray_source>
+        <source type="independent" strength="1.0" particle="neutron">
+          <space type="box">
+            <parameters>-0.63 -0.63 -1.0 0.63 0.63 1.0</parameters>
+          </space>
+        </source>
+      </ray_source>
       <distance_inactive>30.0</distance_inactive>
       <distance_active>150.0</distance_active>
       <source_region_meshes>
diff --git a/tests/regression_tests/random_ray_auto_convert_kappa_fission/material_wise/inputs_true.dat b/tests/regression_tests/random_ray_auto_convert_kappa_fission/material_wise/inputs_true.dat
index edf68f7e2..472406fa8 100644
--- a/tests/regression_tests/random_ray_auto_convert_kappa_fission/material_wise/inputs_true.dat
+++ b/tests/regression_tests/random_ray_auto_convert_kappa_fission/material_wise/inputs_true.dat
@@ -41,11 +41,13 @@
     </source>
     <energy_mode>multi-group</energy_mode>
     <random_ray>
-      <source type="independent" strength="1.0" particle="neutron">
-        <space type="box">
-          <parameters>-0.63 -0.63 -1.0 0.63 0.63 1.0</parameters>
-        </space>
-      </source>
+      <ray_source>
+        <source type="independent" strength="1.0" particle="neutron">
+          <space type="box">
+            <parameters>-0.63 -0.63 -1.0 0.63 0.63 1.0</parameters>
+          </space>
+        </source>
+      </ray_source>
       <distance_inactive>30.0</distance_inactive>
       <distance_active>150.0</distance_active>
       <source_region_meshes>
diff --git a/tests/regression_tests/random_ray_auto_convert_kappa_fission/stochastic_slab/inputs_true.dat b/tests/regression_tests/random_ray_auto_convert_kappa_fission/stochastic_slab/inputs_true.dat
index edf68f7e2..472406fa8 100644
--- a/tests/regression_tests/random_ray_auto_convert_kappa_fission/stochastic_slab/inputs_true.dat
+++ b/tests/regression_tests/random_ray_auto_convert_kappa_fission/stochastic_slab/inputs_true.dat
@@ -41,11 +41,13 @@
     </source>
     <energy_mode>multi-group</energy_mode>
     <random_ray>
-      <source type="independent" strength="1.0" particle="neutron">
-        <space type="box">
-          <parameters>-0.63 -0.63 -1.0 0.63 0.63 1.0</parameters>
-        </space>
-      </source>
+      <ray_source>
+        <source type="independent" strength="1.0" particle="neutron">
+          <space type="box">
+            <parameters>-0.63 -0.63 -1.0 0.63 0.63 1.0</parameters>
+          </space>
+        </source>
+      </ray_source>
       <distance_inactive>30.0</distance_inactive>
       <distance_active>150.0</distance_active>
       <source_region_meshes>
diff --git a/tests/regression_tests/random_ray_auto_convert_source_energy/infinite_medium/model/inputs_true.dat b/tests/regression_tests/random_ray_auto_convert_source_energy/infinite_medium/model/inputs_true.dat
index 80a166c67..15981f7fa 100644
--- a/tests/regression_tests/random_ray_auto_convert_source_energy/infinite_medium/model/inputs_true.dat
+++ b/tests/regression_tests/random_ray_auto_convert_source_energy/infinite_medium/model/inputs_true.dat
@@ -38,11 +38,13 @@
     </source>
     <energy_mode>multi-group</energy_mode>
     <random_ray>
-      <source type="independent" strength="1.0" particle="neutron">
-        <space type="box">
-          <parameters>-0.63 -0.63 -1.0 0.63 0.63 1.0</parameters>
-        </space>
-      </source>
+      <ray_source>
+        <source type="independent" strength="1.0" particle="neutron">
+          <space type="box">
+            <parameters>-0.63 -0.63 -1.0 0.63 0.63 1.0</parameters>
+          </space>
+        </source>
+      </ray_source>
       <distance_inactive>30.0</distance_inactive>
       <distance_active>150.0</distance_active>
       <source_region_meshes>
diff --git a/tests/regression_tests/random_ray_auto_convert_source_energy/infinite_medium/user/inputs_true.dat b/tests/regression_tests/random_ray_auto_convert_source_energy/infinite_medium/user/inputs_true.dat
index 464c89a5d..86d5ec4ab 100644
--- a/tests/regression_tests/random_ray_auto_convert_source_energy/infinite_medium/user/inputs_true.dat
+++ b/tests/regression_tests/random_ray_auto_convert_source_energy/infinite_medium/user/inputs_true.dat
@@ -41,11 +41,13 @@
     </source>
     <energy_mode>multi-group</energy_mode>
     <random_ray>
-      <source type="independent" strength="1.0" particle="neutron">
-        <space type="box">
-          <parameters>-0.63 -0.63 -1.0 0.63 0.63 1.0</parameters>
-        </space>
-      </source>
+      <ray_source>
+        <source type="independent" strength="1.0" particle="neutron">
+          <space type="box">
+            <parameters>-0.63 -0.63 -1.0 0.63 0.63 1.0</parameters>
+          </space>
+        </source>
+      </ray_source>
       <distance_inactive>30.0</distance_inactive>
       <distance_active>150.0</distance_active>
       <source_region_meshes>
diff --git a/tests/regression_tests/random_ray_auto_convert_source_energy/stochastic_slab/model/inputs_true.dat b/tests/regression_tests/random_ray_auto_convert_source_energy/stochastic_slab/model/inputs_true.dat
index 80a166c67..15981f7fa 100644
--- a/tests/regression_tests/random_ray_auto_convert_source_energy/stochastic_slab/model/inputs_true.dat
+++ b/tests/regression_tests/random_ray_auto_convert_source_energy/stochastic_slab/model/inputs_true.dat
@@ -38,11 +38,13 @@
     </source>
     <energy_mode>multi-group</energy_mode>
     <random_ray>
-      <source type="independent" strength="1.0" particle="neutron">
-        <space type="box">
-          <parameters>-0.63 -0.63 -1.0 0.63 0.63 1.0</parameters>
-        </space>
-      </source>
+      <ray_source>
+        <source type="independent" strength="1.0" particle="neutron">
+          <space type="box">
+            <parameters>-0.63 -0.63 -1.0 0.63 0.63 1.0</parameters>
+          </space>
+        </source>
+      </ray_source>
       <distance_inactive>30.0</distance_inactive>
       <distance_active>150.0</distance_active>
       <source_region_meshes>
diff --git a/tests/regression_tests/random_ray_auto_convert_source_energy/stochastic_slab/user/inputs_true.dat b/tests/regression_tests/random_ray_auto_convert_source_energy/stochastic_slab/user/inputs_true.dat
index 464c89a5d..86d5ec4ab 100644
--- a/tests/regression_tests/random_ray_auto_convert_source_energy/stochastic_slab/user/inputs_true.dat
+++ b/tests/regression_tests/random_ray_auto_convert_source_energy/stochastic_slab/user/inputs_true.dat
@@ -41,11 +41,13 @@
     </source>
     <energy_mode>multi-group</energy_mode>
     <random_ray>
-      <source type="independent" strength="1.0" particle="neutron">
-        <space type="box">
-          <parameters>-0.63 -0.63 -1.0 0.63 0.63 1.0</parameters>
-        </space>
-      </source>
+      <ray_source>
+        <source type="independent" strength="1.0" particle="neutron">
+          <space type="box">
+            <parameters>-0.63 -0.63 -1.0 0.63 0.63 1.0</parameters>
+          </space>
+        </source>
+      </ray_source>
       <distance_inactive>30.0</distance_inactive>
       <distance_active>150.0</distance_active>
       <source_region_meshes>
diff --git a/tests/regression_tests/random_ray_auto_convert_temperature/infinite_medium/inputs_true.dat b/tests/regression_tests/random_ray_auto_convert_temperature/infinite_medium/inputs_true.dat
index 08a30176b..c60e6a041 100644
--- a/tests/regression_tests/random_ray_auto_convert_temperature/infinite_medium/inputs_true.dat
+++ b/tests/regression_tests/random_ray_auto_convert_temperature/infinite_medium/inputs_true.dat
@@ -47,11 +47,13 @@
     <temperature_range>200.0 400.0</temperature_range>
     <temperature_tolerance>200.0</temperature_tolerance>
     <random_ray>
-      <source type="independent" strength="1.0" particle="neutron">
-        <space type="box">
-          <parameters>-0.63 -0.63 -1.0 0.63 0.63 1.0</parameters>
-        </space>
-      </source>
+      <ray_source>
+        <source type="independent" strength="1.0" particle="neutron">
+          <space type="box">
+            <parameters>-0.63 -0.63 -1.0 0.63 0.63 1.0</parameters>
+          </space>
+        </source>
+      </ray_source>
       <distance_inactive>30.0</distance_inactive>
       <distance_active>150.0</distance_active>
       <source_region_meshes>
diff --git a/tests/regression_tests/random_ray_auto_convert_temperature/material_wise/inputs_true.dat b/tests/regression_tests/random_ray_auto_convert_temperature/material_wise/inputs_true.dat
index 08a30176b..c60e6a041 100644
--- a/tests/regression_tests/random_ray_auto_convert_temperature/material_wise/inputs_true.dat
+++ b/tests/regression_tests/random_ray_auto_convert_temperature/material_wise/inputs_true.dat
@@ -47,11 +47,13 @@
     <temperature_range>200.0 400.0</temperature_range>
     <temperature_tolerance>200.0</temperature_tolerance>
     <random_ray>
-      <source type="independent" strength="1.0" particle="neutron">
-        <space type="box">
-          <parameters>-0.63 -0.63 -1.0 0.63 0.63 1.0</parameters>
-        </space>
-      </source>
+      <ray_source>
+        <source type="independent" strength="1.0" particle="neutron">
+          <space type="box">
+            <parameters>-0.63 -0.63 -1.0 0.63 0.63 1.0</parameters>
+          </space>
+        </source>
+      </ray_source>
       <distance_inactive>30.0</distance_inactive>
       <distance_active>150.0</distance_active>
       <source_region_meshes>
diff --git a/tests/regression_tests/random_ray_auto_convert_temperature/stochastic_slab/inputs_true.dat b/tests/regression_tests/random_ray_auto_convert_temperature/stochastic_slab/inputs_true.dat
index 08a30176b..c60e6a041 100644
--- a/tests/regression_tests/random_ray_auto_convert_temperature/stochastic_slab/inputs_true.dat
+++ b/tests/regression_tests/random_ray_auto_convert_temperature/stochastic_slab/inputs_true.dat
@@ -47,11 +47,13 @@
     <temperature_range>200.0 400.0</temperature_range>
     <temperature_tolerance>200.0</temperature_tolerance>
     <random_ray>
-      <source type="independent" strength="1.0" particle="neutron">
-        <space type="box">
-          <parameters>-0.63 -0.63 -1.0 0.63 0.63 1.0</parameters>
-        </space>
-      </source>
+      <ray_source>
+        <source type="independent" strength="1.0" particle="neutron">
+          <space type="box">
+            <parameters>-0.63 -0.63 -1.0 0.63 0.63 1.0</parameters>
+          </space>
+        </source>
+      </ray_source>
       <distance_inactive>30.0</distance_inactive>
       <distance_active>150.0</distance_active>
       <source_region_meshes>
diff --git a/tests/regression_tests/random_ray_cell_density/eigen/inputs_true.dat b/tests/regression_tests/random_ray_cell_density/eigen/inputs_true.dat
index bcf4d0d90..eacd54f83 100644
--- a/tests/regression_tests/random_ray_cell_density/eigen/inputs_true.dat
+++ b/tests/regression_tests/random_ray_cell_density/eigen/inputs_true.dat
@@ -86,11 +86,13 @@
     <random_ray>
       <distance_active>100.0</distance_active>
       <distance_inactive>20.0</distance_inactive>
-      <source type="independent" strength="1.0" particle="neutron">
-        <space type="box">
-          <parameters>-1.26 -1.26 -1 1.26 1.26 1</parameters>
-        </space>
-      </source>
+      <ray_source>
+        <source type="independent" strength="1.0" particle="neutron">
+          <space type="box">
+            <parameters>-1.26 -1.26 -1 1.26 1.26 1</parameters>
+          </space>
+        </source>
+      </ray_source>
       <volume_normalized_flux_tallies>true</volume_normalized_flux_tallies>
     </random_ray>
   </settings>
diff --git a/tests/regression_tests/random_ray_cell_density/fs/inputs_true.dat b/tests/regression_tests/random_ray_cell_density/fs/inputs_true.dat
index e90f25973..f369bae89 100644
--- a/tests/regression_tests/random_ray_cell_density/fs/inputs_true.dat
+++ b/tests/regression_tests/random_ray_cell_density/fs/inputs_true.dat
@@ -207,11 +207,13 @@
     <random_ray>
       <distance_active>500.0</distance_active>
       <distance_inactive>100.0</distance_inactive>
-      <source type="independent" strength="1.0" particle="neutron">
-        <space type="box">
-          <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
-        </space>
-      </source>
+      <ray_source>
+        <source type="independent" strength="1.0" particle="neutron">
+          <space type="box">
+            <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
+          </space>
+        </source>
+      </ray_source>
       <volume_normalized_flux_tallies>true</volume_normalized_flux_tallies>
     </random_ray>
   </settings>
diff --git a/tests/regression_tests/random_ray_cell_temperature/inputs_true.dat b/tests/regression_tests/random_ray_cell_temperature/inputs_true.dat
index e8674e6ea..99363ed87 100644
--- a/tests/regression_tests/random_ray_cell_temperature/inputs_true.dat
+++ b/tests/regression_tests/random_ray_cell_temperature/inputs_true.dat
@@ -89,11 +89,13 @@
     <random_ray>
       <distance_active>100.0</distance_active>
       <distance_inactive>20.0</distance_inactive>
-      <source type="independent" strength="1.0" particle="neutron">
-        <space type="box">
-          <parameters>-1.26 -1.26 -1 1.26 1.26 1</parameters>
-        </space>
-      </source>
+      <ray_source>
+        <source type="independent" strength="1.0" particle="neutron">
+          <space type="box">
+            <parameters>-1.26 -1.26 -1 1.26 1.26 1</parameters>
+          </space>
+        </source>
+      </ray_source>
       <volume_normalized_flux_tallies>true</volume_normalized_flux_tallies>
     </random_ray>
   </settings>
diff --git a/tests/regression_tests/random_ray_diagonal_stabilization/inputs_true.dat b/tests/regression_tests/random_ray_diagonal_stabilization/inputs_true.dat
index 47325ebd7..11100e88e 100644
--- a/tests/regression_tests/random_ray_diagonal_stabilization/inputs_true.dat
+++ b/tests/regression_tests/random_ray_diagonal_stabilization/inputs_true.dat
@@ -41,11 +41,13 @@
     </source>
     <energy_mode>multi-group</energy_mode>
     <random_ray>
-      <source type="independent" strength="1.0" particle="neutron">
-        <space type="box">
-          <parameters>-0.63 -0.63 -1.0 0.63 0.63 1.0</parameters>
-        </space>
-      </source>
+      <ray_source>
+        <source type="independent" strength="1.0" particle="neutron">
+          <space type="box">
+            <parameters>-0.63 -0.63 -1.0 0.63 0.63 1.0</parameters>
+          </space>
+        </source>
+      </ray_source>
       <distance_inactive>30.0</distance_inactive>
       <distance_active>150.0</distance_active>
       <source_region_meshes>
diff --git a/tests/regression_tests/random_ray_entropy/settings.xml b/tests/regression_tests/random_ray_entropy/settings.xml
index 81deaa775..0d830417b 100644
--- a/tests/regression_tests/random_ray_entropy/settings.xml
+++ b/tests/regression_tests/random_ray_entropy/settings.xml
@@ -6,11 +6,13 @@
   <inactive>5</inactive>
   <energy_mode>multi-group</energy_mode>
   <random_ray>
-    <source particle="neutron" strength="1.0" type="independent">
-      <space type="box">
-        <parameters>0.0 0.0 0.0 100.0 100.0 100.0</parameters>
-      </space>
-    </source>
+    <ray_source>
+      <source particle="neutron" strength="1.0" type="independent">
+        <space type="box">
+          <parameters>0.0 0.0 0.0 100.0 100.0 100.0</parameters>
+        </space>
+      </source>
+    </ray_source>
     <distance_inactive>40.0</distance_inactive>
     <distance_active>400.0</distance_active>
   </random_ray>
diff --git a/tests/regression_tests/random_ray_fixed_source_domain/cell/inputs_true.dat b/tests/regression_tests/random_ray_fixed_source_domain/cell/inputs_true.dat
index 9f1987f3a..d650bbaf9 100644
--- a/tests/regression_tests/random_ray_fixed_source_domain/cell/inputs_true.dat
+++ b/tests/regression_tests/random_ray_fixed_source_domain/cell/inputs_true.dat
@@ -207,11 +207,13 @@
     <random_ray>
       <distance_active>500.0</distance_active>
       <distance_inactive>100.0</distance_inactive>
-      <source type="independent" strength="1.0" particle="neutron">
-        <space type="box">
-          <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
-        </space>
-      </source>
+      <ray_source>
+        <source type="independent" strength="1.0" particle="neutron">
+          <space type="box">
+            <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
+          </space>
+        </source>
+      </ray_source>
       <volume_normalized_flux_tallies>true</volume_normalized_flux_tallies>
     </random_ray>
   </settings>
diff --git a/tests/regression_tests/random_ray_fixed_source_domain/material/inputs_true.dat b/tests/regression_tests/random_ray_fixed_source_domain/material/inputs_true.dat
index b4f57dbfa..98a51add1 100644
--- a/tests/regression_tests/random_ray_fixed_source_domain/material/inputs_true.dat
+++ b/tests/regression_tests/random_ray_fixed_source_domain/material/inputs_true.dat
@@ -207,11 +207,13 @@
     <random_ray>
       <distance_active>500.0</distance_active>
       <distance_inactive>100.0</distance_inactive>
-      <source type="independent" strength="1.0" particle="neutron">
-        <space type="box">
-          <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
-        </space>
-      </source>
+      <ray_source>
+        <source type="independent" strength="1.0" particle="neutron">
+          <space type="box">
+            <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
+          </space>
+        </source>
+      </ray_source>
       <volume_normalized_flux_tallies>true</volume_normalized_flux_tallies>
     </random_ray>
   </settings>
diff --git a/tests/regression_tests/random_ray_fixed_source_domain/universe/inputs_true.dat b/tests/regression_tests/random_ray_fixed_source_domain/universe/inputs_true.dat
index ab91f74e5..20deba664 100644
--- a/tests/regression_tests/random_ray_fixed_source_domain/universe/inputs_true.dat
+++ b/tests/regression_tests/random_ray_fixed_source_domain/universe/inputs_true.dat
@@ -207,11 +207,13 @@
     <random_ray>
       <distance_active>500.0</distance_active>
       <distance_inactive>100.0</distance_inactive>
-      <source type="independent" strength="1.0" particle="neutron">
-        <space type="box">
-          <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
-        </space>
-      </source>
+      <ray_source>
+        <source type="independent" strength="1.0" particle="neutron">
+          <space type="box">
+            <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
+          </space>
+        </source>
+      </ray_source>
       <volume_normalized_flux_tallies>true</volume_normalized_flux_tallies>
     </random_ray>
   </settings>
diff --git a/tests/regression_tests/random_ray_fixed_source_linear/linear/inputs_true.dat b/tests/regression_tests/random_ray_fixed_source_linear/linear/inputs_true.dat
index 220fa7db6..2268d82c3 100644
--- a/tests/regression_tests/random_ray_fixed_source_linear/linear/inputs_true.dat
+++ b/tests/regression_tests/random_ray_fixed_source_linear/linear/inputs_true.dat
@@ -207,11 +207,13 @@
     <random_ray>
       <distance_active>500.0</distance_active>
       <distance_inactive>100.0</distance_inactive>
-      <source type="independent" strength="1.0" particle="neutron">
-        <space type="box">
-          <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
-        </space>
-      </source>
+      <ray_source>
+        <source type="independent" strength="1.0" particle="neutron">
+          <space type="box">
+            <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
+          </space>
+        </source>
+      </ray_source>
       <volume_normalized_flux_tallies>true</volume_normalized_flux_tallies>
       <source_shape>linear</source_shape>
     </random_ray>
diff --git a/tests/regression_tests/random_ray_fixed_source_linear/linear_xy/inputs_true.dat b/tests/regression_tests/random_ray_fixed_source_linear/linear_xy/inputs_true.dat
index f8c443085..fe95baa7b 100644
--- a/tests/regression_tests/random_ray_fixed_source_linear/linear_xy/inputs_true.dat
+++ b/tests/regression_tests/random_ray_fixed_source_linear/linear_xy/inputs_true.dat
@@ -207,11 +207,13 @@
     <random_ray>
       <distance_active>500.0</distance_active>
       <distance_inactive>100.0</distance_inactive>
-      <source type="independent" strength="1.0" particle="neutron">
-        <space type="box">
-          <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
-        </space>
-      </source>
+      <ray_source>
+        <source type="independent" strength="1.0" particle="neutron">
+          <space type="box">
+            <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
+          </space>
+        </source>
+      </ray_source>
       <volume_normalized_flux_tallies>true</volume_normalized_flux_tallies>
       <source_shape>linear_xy</source_shape>
     </random_ray>
diff --git a/tests/regression_tests/random_ray_fixed_source_mesh/flat/inputs_true.dat b/tests/regression_tests/random_ray_fixed_source_mesh/flat/inputs_true.dat
index c84e544fc..a5632ece9 100644
--- a/tests/regression_tests/random_ray_fixed_source_mesh/flat/inputs_true.dat
+++ b/tests/regression_tests/random_ray_fixed_source_mesh/flat/inputs_true.dat
@@ -207,11 +207,13 @@
     <random_ray>
       <distance_active>500.0</distance_active>
       <distance_inactive>100.0</distance_inactive>
-      <source type="independent" strength="1.0" particle="neutron">
-        <space type="box">
-          <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
-        </space>
-      </source>
+      <ray_source>
+        <source type="independent" strength="1.0" particle="neutron">
+          <space type="box">
+            <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
+          </space>
+        </source>
+      </ray_source>
       <volume_normalized_flux_tallies>true</volume_normalized_flux_tallies>
       <source_region_meshes>
         <mesh id="1">
diff --git a/tests/regression_tests/random_ray_fixed_source_mesh/linear/inputs_true.dat b/tests/regression_tests/random_ray_fixed_source_mesh/linear/inputs_true.dat
index 05c4846e6..9d22603c6 100644
--- a/tests/regression_tests/random_ray_fixed_source_mesh/linear/inputs_true.dat
+++ b/tests/regression_tests/random_ray_fixed_source_mesh/linear/inputs_true.dat
@@ -207,11 +207,13 @@
     <random_ray>
       <distance_active>500.0</distance_active>
       <distance_inactive>100.0</distance_inactive>
-      <source type="independent" strength="1.0" particle="neutron">
-        <space type="box">
-          <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
-        </space>
-      </source>
+      <ray_source>
+        <source type="independent" strength="1.0" particle="neutron">
+          <space type="box">
+            <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
+          </space>
+        </source>
+      </ray_source>
       <volume_normalized_flux_tallies>true</volume_normalized_flux_tallies>
       <source_region_meshes>
         <mesh id="1">
diff --git a/tests/regression_tests/random_ray_fixed_source_normalization/False/inputs_true.dat b/tests/regression_tests/random_ray_fixed_source_normalization/False/inputs_true.dat
index 0c870e100..de941f10f 100644
--- a/tests/regression_tests/random_ray_fixed_source_normalization/False/inputs_true.dat
+++ b/tests/regression_tests/random_ray_fixed_source_normalization/False/inputs_true.dat
@@ -207,11 +207,13 @@
     <random_ray>
       <distance_active>500.0</distance_active>
       <distance_inactive>100.0</distance_inactive>
-      <source type="independent" strength="1.0" particle="neutron">
-        <space type="box">
-          <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
-        </space>
-      </source>
+      <ray_source>
+        <source type="independent" strength="1.0" particle="neutron">
+          <space type="box">
+            <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
+          </space>
+        </source>
+      </ray_source>
       <volume_normalized_flux_tallies>false</volume_normalized_flux_tallies>
     </random_ray>
   </settings>
diff --git a/tests/regression_tests/random_ray_fixed_source_normalization/True/inputs_true.dat b/tests/regression_tests/random_ray_fixed_source_normalization/True/inputs_true.dat
index ab91f74e5..20deba664 100644
--- a/tests/regression_tests/random_ray_fixed_source_normalization/True/inputs_true.dat
+++ b/tests/regression_tests/random_ray_fixed_source_normalization/True/inputs_true.dat
@@ -207,11 +207,13 @@
     <random_ray>
       <distance_active>500.0</distance_active>
       <distance_inactive>100.0</distance_inactive>
-      <source type="independent" strength="1.0" particle="neutron">
-        <space type="box">
-          <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
-        </space>
-      </source>
+      <ray_source>
+        <source type="independent" strength="1.0" particle="neutron">
+          <space type="box">
+            <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
+          </space>
+        </source>
+      </ray_source>
       <volume_normalized_flux_tallies>true</volume_normalized_flux_tallies>
     </random_ray>
   </settings>
diff --git a/tests/regression_tests/random_ray_fixed_source_subcritical/flat/inputs_true.dat b/tests/regression_tests/random_ray_fixed_source_subcritical/flat/inputs_true.dat
index 0c05a71df..943468a10 100644
--- a/tests/regression_tests/random_ray_fixed_source_subcritical/flat/inputs_true.dat
+++ b/tests/regression_tests/random_ray_fixed_source_subcritical/flat/inputs_true.dat
@@ -110,11 +110,13 @@
     <random_ray>
       <distance_active>40.0</distance_active>
       <distance_inactive>40.0</distance_inactive>
-      <source type="independent" strength="1.0" particle="neutron">
-        <space type="box">
-          <parameters>-1.26 -1.26 -1 1.26 1.26 1</parameters>
-        </space>
-      </source>
+      <ray_source>
+        <source type="independent" strength="1.0" particle="neutron">
+          <space type="box">
+            <parameters>-1.26 -1.26 -1 1.26 1.26 1</parameters>
+          </space>
+        </source>
+      </ray_source>
       <volume_normalized_flux_tallies>false</volume_normalized_flux_tallies>
       <source_shape>flat</source_shape>
     </random_ray>
diff --git a/tests/regression_tests/random_ray_fixed_source_subcritical/linear_xy/inputs_true.dat b/tests/regression_tests/random_ray_fixed_source_subcritical/linear_xy/inputs_true.dat
index a67495bf1..650953c4b 100644
--- a/tests/regression_tests/random_ray_fixed_source_subcritical/linear_xy/inputs_true.dat
+++ b/tests/regression_tests/random_ray_fixed_source_subcritical/linear_xy/inputs_true.dat
@@ -110,11 +110,13 @@
     <random_ray>
       <distance_active>40.0</distance_active>
       <distance_inactive>40.0</distance_inactive>
-      <source type="independent" strength="1.0" particle="neutron">
-        <space type="box">
-          <parameters>-1.26 -1.26 -1 1.26 1.26 1</parameters>
-        </space>
-      </source>
+      <ray_source>
+        <source type="independent" strength="1.0" particle="neutron">
+          <space type="box">
+            <parameters>-1.26 -1.26 -1 1.26 1.26 1</parameters>
+          </space>
+        </source>
+      </ray_source>
       <volume_normalized_flux_tallies>false</volume_normalized_flux_tallies>
       <source_shape>linear_xy</source_shape>
     </random_ray>
diff --git a/tests/regression_tests/random_ray_halton_samples/inputs_true.dat b/tests/regression_tests/random_ray_halton_samples/inputs_true.dat
index 36d5f6f22..1b86d2dae 100644
--- a/tests/regression_tests/random_ray_halton_samples/inputs_true.dat
+++ b/tests/regression_tests/random_ray_halton_samples/inputs_true.dat
@@ -80,11 +80,13 @@
     <random_ray>
       <distance_active>100.0</distance_active>
       <distance_inactive>20.0</distance_inactive>
-      <source type="independent" strength="1.0" particle="neutron">
-        <space type="box">
-          <parameters>-1.26 -1.26 -1 1.26 1.26 1</parameters>
-        </space>
-      </source>
+      <ray_source>
+        <source type="independent" strength="1.0" particle="neutron">
+          <space type="box">
+            <parameters>-1.26 -1.26 -1 1.26 1.26 1</parameters>
+          </space>
+        </source>
+      </ray_source>
       <volume_normalized_flux_tallies>true</volume_normalized_flux_tallies>
       <sample_method>halton</sample_method>
     </random_ray>
diff --git a/tests/regression_tests/random_ray_k_eff/inputs_true.dat b/tests/regression_tests/random_ray_k_eff/inputs_true.dat
index 545bd1d45..72b783344 100644
--- a/tests/regression_tests/random_ray_k_eff/inputs_true.dat
+++ b/tests/regression_tests/random_ray_k_eff/inputs_true.dat
@@ -80,11 +80,13 @@
     <random_ray>
       <distance_active>100.0</distance_active>
       <distance_inactive>20.0</distance_inactive>
-      <source type="independent" strength="1.0" particle="neutron">
-        <space type="box">
-          <parameters>-1.26 -1.26 -1 1.26 1.26 1</parameters>
-        </space>
-      </source>
+      <ray_source>
+        <source type="independent" strength="1.0" particle="neutron">
+          <space type="box">
+            <parameters>-1.26 -1.26 -1 1.26 1.26 1</parameters>
+          </space>
+        </source>
+      </ray_source>
       <volume_normalized_flux_tallies>true</volume_normalized_flux_tallies>
     </random_ray>
   </settings>
diff --git a/tests/regression_tests/random_ray_k_eff_mesh/inputs_true.dat b/tests/regression_tests/random_ray_k_eff_mesh/inputs_true.dat
index 98badea18..f6e9c8e3e 100644
--- a/tests/regression_tests/random_ray_k_eff_mesh/inputs_true.dat
+++ b/tests/regression_tests/random_ray_k_eff_mesh/inputs_true.dat
@@ -80,11 +80,13 @@
     <random_ray>
       <distance_active>100.0</distance_active>
       <distance_inactive>20.0</distance_inactive>
-      <source type="independent" strength="1.0" particle="neutron">
-        <space type="box">
-          <parameters>-1.26 -1.26 -1 1.26 1.26 1</parameters>
-        </space>
-      </source>
+      <ray_source>
+        <source type="independent" strength="1.0" particle="neutron">
+          <space type="box">
+            <parameters>-1.26 -1.26 -1 1.26 1.26 1</parameters>
+          </space>
+        </source>
+      </ray_source>
       <volume_normalized_flux_tallies>true</volume_normalized_flux_tallies>
       <source_region_meshes>
         <mesh id="2">
diff --git a/tests/regression_tests/random_ray_linear/linear/inputs_true.dat b/tests/regression_tests/random_ray_linear/linear/inputs_true.dat
index a43a66e71..269d9892e 100644
--- a/tests/regression_tests/random_ray_linear/linear/inputs_true.dat
+++ b/tests/regression_tests/random_ray_linear/linear/inputs_true.dat
@@ -80,11 +80,13 @@
     <random_ray>
       <distance_active>100.0</distance_active>
       <distance_inactive>20.0</distance_inactive>
-      <source type="independent" strength="1.0" particle="neutron">
-        <space type="box">
-          <parameters>-1.26 -1.26 -1 1.26 1.26 1</parameters>
-        </space>
-      </source>
+      <ray_source>
+        <source type="independent" strength="1.0" particle="neutron">
+          <space type="box">
+            <parameters>-1.26 -1.26 -1 1.26 1.26 1</parameters>
+          </space>
+        </source>
+      </ray_source>
       <volume_normalized_flux_tallies>true</volume_normalized_flux_tallies>
       <source_shape>linear</source_shape>
     </random_ray>
diff --git a/tests/regression_tests/random_ray_linear/linear_xy/inputs_true.dat b/tests/regression_tests/random_ray_linear/linear_xy/inputs_true.dat
index 7f76f2fd1..217e95516 100644
--- a/tests/regression_tests/random_ray_linear/linear_xy/inputs_true.dat
+++ b/tests/regression_tests/random_ray_linear/linear_xy/inputs_true.dat
@@ -80,11 +80,13 @@
     <random_ray>
       <distance_active>100.0</distance_active>
       <distance_inactive>20.0</distance_inactive>
-      <source type="independent" strength="1.0" particle="neutron">
-        <space type="box">
-          <parameters>-1.26 -1.26 -1 1.26 1.26 1</parameters>
-        </space>
-      </source>
+      <ray_source>
+        <source type="independent" strength="1.0" particle="neutron">
+          <space type="box">
+            <parameters>-1.26 -1.26 -1 1.26 1.26 1</parameters>
+          </space>
+        </source>
+      </ray_source>
       <volume_normalized_flux_tallies>true</volume_normalized_flux_tallies>
       <source_shape>linear_xy</source_shape>
     </random_ray>
diff --git a/tests/regression_tests/random_ray_low_density/inputs_true.dat b/tests/regression_tests/random_ray_low_density/inputs_true.dat
index ab91f74e5..20deba664 100644
--- a/tests/regression_tests/random_ray_low_density/inputs_true.dat
+++ b/tests/regression_tests/random_ray_low_density/inputs_true.dat
@@ -207,11 +207,13 @@
     <random_ray>
       <distance_active>500.0</distance_active>
       <distance_inactive>100.0</distance_inactive>
-      <source type="independent" strength="1.0" particle="neutron">
-        <space type="box">
-          <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
-        </space>
-      </source>
+      <ray_source>
+        <source type="independent" strength="1.0" particle="neutron">
+          <space type="box">
+            <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
+          </space>
+        </source>
+      </ray_source>
       <volume_normalized_flux_tallies>true</volume_normalized_flux_tallies>
     </random_ray>
   </settings>
diff --git a/tests/regression_tests/random_ray_point_source_locator/inputs_true.dat b/tests/regression_tests/random_ray_point_source_locator/inputs_true.dat
index 088f803bf..b4bd263f5 100644
--- a/tests/regression_tests/random_ray_point_source_locator/inputs_true.dat
+++ b/tests/regression_tests/random_ray_point_source_locator/inputs_true.dat
@@ -206,11 +206,13 @@
     <random_ray>
       <distance_active>500.0</distance_active>
       <distance_inactive>100.0</distance_inactive>
-      <source type="independent" strength="1.0" particle="neutron">
-        <space type="box">
-          <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
-        </space>
-      </source>
+      <ray_source>
+        <source type="independent" strength="1.0" particle="neutron">
+          <space type="box">
+            <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
+          </space>
+        </source>
+      </ray_source>
       <volume_normalized_flux_tallies>true</volume_normalized_flux_tallies>
       <source_region_meshes>
         <mesh id="1">
diff --git a/tests/regression_tests/random_ray_s2/inputs_true.dat b/tests/regression_tests/random_ray_s2/inputs_true.dat
index aad8ea28b..c0dc6292f 100644
--- a/tests/regression_tests/random_ray_s2/inputs_true.dat
+++ b/tests/regression_tests/random_ray_s2/inputs_true.dat
@@ -37,11 +37,13 @@
     <random_ray>
       <distance_inactive>100.0</distance_inactive>
       <distance_active>400.0</distance_active>
-      <source type="independent" strength="1.0" particle="neutron">
-        <space type="box">
-          <parameters>0.0 -5.0 -5.0 40.0 5.0 5.0</parameters>
-        </space>
-      </source>
+      <ray_source>
+        <source type="independent" strength="1.0" particle="neutron">
+          <space type="box">
+            <parameters>0.0 -5.0 -5.0 40.0 5.0 5.0</parameters>
+          </space>
+        </source>
+      </ray_source>
       <source_shape>flat</source_shape>
       <sample_method>s2</sample_method>
       <source_region_meshes>
diff --git a/tests/regression_tests/random_ray_void/flat/inputs_true.dat b/tests/regression_tests/random_ray_void/flat/inputs_true.dat
index aa28e7b68..66390c766 100644
--- a/tests/regression_tests/random_ray_void/flat/inputs_true.dat
+++ b/tests/regression_tests/random_ray_void/flat/inputs_true.dat
@@ -207,11 +207,13 @@
     <random_ray>
       <distance_active>500.0</distance_active>
       <distance_inactive>100.0</distance_inactive>
-      <source type="independent" strength="1.0" particle="neutron">
-        <space type="box">
-          <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
-        </space>
-      </source>
+      <ray_source>
+        <source type="independent" strength="1.0" particle="neutron">
+          <space type="box">
+            <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
+          </space>
+        </source>
+      </ray_source>
       <volume_normalized_flux_tallies>true</volume_normalized_flux_tallies>
       <source_shape>flat</source_shape>
     </random_ray>
diff --git a/tests/regression_tests/random_ray_void/linear/inputs_true.dat b/tests/regression_tests/random_ray_void/linear/inputs_true.dat
index e4b2f22fa..45228a039 100644
--- a/tests/regression_tests/random_ray_void/linear/inputs_true.dat
+++ b/tests/regression_tests/random_ray_void/linear/inputs_true.dat
@@ -207,11 +207,13 @@
     <random_ray>
       <distance_active>500.0</distance_active>
       <distance_inactive>100.0</distance_inactive>
-      <source type="independent" strength="1.0" particle="neutron">
-        <space type="box">
-          <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
-        </space>
-      </source>
+      <ray_source>
+        <source type="independent" strength="1.0" particle="neutron">
+          <space type="box">
+            <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
+          </space>
+        </source>
+      </ray_source>
       <volume_normalized_flux_tallies>true</volume_normalized_flux_tallies>
       <source_shape>linear</source_shape>
     </random_ray>
diff --git a/tests/regression_tests/random_ray_volume_estimator/hybrid/inputs_true.dat b/tests/regression_tests/random_ray_volume_estimator/hybrid/inputs_true.dat
index 8e8a8ed9b..4d1af46b1 100644
--- a/tests/regression_tests/random_ray_volume_estimator/hybrid/inputs_true.dat
+++ b/tests/regression_tests/random_ray_volume_estimator/hybrid/inputs_true.dat
@@ -207,11 +207,13 @@
     <random_ray>
       <distance_active>500.0</distance_active>
       <distance_inactive>100.0</distance_inactive>
-      <source type="independent" strength="1.0" particle="neutron">
-        <space type="box">
-          <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
-        </space>
-      </source>
+      <ray_source>
+        <source type="independent" strength="1.0" particle="neutron">
+          <space type="box">
+            <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
+          </space>
+        </source>
+      </ray_source>
       <volume_normalized_flux_tallies>true</volume_normalized_flux_tallies>
       <volume_estimator>hybrid</volume_estimator>
     </random_ray>
diff --git a/tests/regression_tests/random_ray_volume_estimator/naive/inputs_true.dat b/tests/regression_tests/random_ray_volume_estimator/naive/inputs_true.dat
index 1e25b97da..a268d55d0 100644
--- a/tests/regression_tests/random_ray_volume_estimator/naive/inputs_true.dat
+++ b/tests/regression_tests/random_ray_volume_estimator/naive/inputs_true.dat
@@ -207,11 +207,13 @@
     <random_ray>
       <distance_active>500.0</distance_active>
       <distance_inactive>100.0</distance_inactive>
-      <source type="independent" strength="1.0" particle="neutron">
-        <space type="box">
-          <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
-        </space>
-      </source>
+      <ray_source>
+        <source type="independent" strength="1.0" particle="neutron">
+          <space type="box">
+            <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
+          </space>
+        </source>
+      </ray_source>
       <volume_normalized_flux_tallies>true</volume_normalized_flux_tallies>
       <volume_estimator>naive</volume_estimator>
     </random_ray>
diff --git a/tests/regression_tests/random_ray_volume_estimator/simulation_averaged/inputs_true.dat b/tests/regression_tests/random_ray_volume_estimator/simulation_averaged/inputs_true.dat
index 78c162697..777ccaea5 100644
--- a/tests/regression_tests/random_ray_volume_estimator/simulation_averaged/inputs_true.dat
+++ b/tests/regression_tests/random_ray_volume_estimator/simulation_averaged/inputs_true.dat
@@ -207,11 +207,13 @@
     <random_ray>
       <distance_active>500.0</distance_active>
       <distance_inactive>100.0</distance_inactive>
-      <source type="independent" strength="1.0" particle="neutron">
-        <space type="box">
-          <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
-        </space>
-      </source>
+      <ray_source>
+        <source type="independent" strength="1.0" particle="neutron">
+          <space type="box">
+            <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
+          </space>
+        </source>
+      </ray_source>
       <volume_normalized_flux_tallies>true</volume_normalized_flux_tallies>
       <volume_estimator>simulation_averaged</volume_estimator>
     </random_ray>
diff --git a/tests/regression_tests/random_ray_volume_estimator_linear/hybrid/inputs_true.dat b/tests/regression_tests/random_ray_volume_estimator_linear/hybrid/inputs_true.dat
index 47a8a7182..dd11567f6 100644
--- a/tests/regression_tests/random_ray_volume_estimator_linear/hybrid/inputs_true.dat
+++ b/tests/regression_tests/random_ray_volume_estimator_linear/hybrid/inputs_true.dat
@@ -207,11 +207,13 @@
     <random_ray>
       <distance_active>500.0</distance_active>
       <distance_inactive>100.0</distance_inactive>
-      <source type="independent" strength="1.0" particle="neutron">
-        <space type="box">
-          <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
-        </space>
-      </source>
+      <ray_source>
+        <source type="independent" strength="1.0" particle="neutron">
+          <space type="box">
+            <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
+          </space>
+        </source>
+      </ray_source>
       <volume_normalized_flux_tallies>true</volume_normalized_flux_tallies>
       <source_shape>linear</source_shape>
       <volume_estimator>hybrid</volume_estimator>
diff --git a/tests/regression_tests/random_ray_volume_estimator_linear/naive/inputs_true.dat b/tests/regression_tests/random_ray_volume_estimator_linear/naive/inputs_true.dat
index 80a9ada4d..6933fba43 100644
--- a/tests/regression_tests/random_ray_volume_estimator_linear/naive/inputs_true.dat
+++ b/tests/regression_tests/random_ray_volume_estimator_linear/naive/inputs_true.dat
@@ -207,11 +207,13 @@
     <random_ray>
       <distance_active>500.0</distance_active>
       <distance_inactive>100.0</distance_inactive>
-      <source type="independent" strength="1.0" particle="neutron">
-        <space type="box">
-          <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
-        </space>
-      </source>
+      <ray_source>
+        <source type="independent" strength="1.0" particle="neutron">
+          <space type="box">
+            <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
+          </space>
+        </source>
+      </ray_source>
       <volume_normalized_flux_tallies>true</volume_normalized_flux_tallies>
       <source_shape>linear</source_shape>
       <volume_estimator>naive</volume_estimator>
diff --git a/tests/regression_tests/random_ray_volume_estimator_linear/simulation_averaged/inputs_true.dat b/tests/regression_tests/random_ray_volume_estimator_linear/simulation_averaged/inputs_true.dat
index 4f032a62a..3ccab1d21 100644
--- a/tests/regression_tests/random_ray_volume_estimator_linear/simulation_averaged/inputs_true.dat
+++ b/tests/regression_tests/random_ray_volume_estimator_linear/simulation_averaged/inputs_true.dat
@@ -207,11 +207,13 @@
     <random_ray>
       <distance_active>500.0</distance_active>
       <distance_inactive>100.0</distance_inactive>
-      <source type="independent" strength="1.0" particle="neutron">
-        <space type="box">
-          <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
-        </space>
-      </source>
+      <ray_source>
+        <source type="independent" strength="1.0" particle="neutron">
+          <space type="box">
+            <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
+          </space>
+        </source>
+      </ray_source>
       <volume_normalized_flux_tallies>true</volume_normalized_flux_tallies>
       <source_shape>linear</source_shape>
       <volume_estimator>simulation_averaged</volume_estimator>
diff --git a/tests/regression_tests/weightwindows_fw_cadis/inputs_true.dat b/tests/regression_tests/weightwindows_fw_cadis/inputs_true.dat
index 5fa6505dd..6bdabfbee 100644
--- a/tests/regression_tests/weightwindows_fw_cadis/inputs_true.dat
+++ b/tests/regression_tests/weightwindows_fw_cadis/inputs_true.dat
@@ -222,11 +222,13 @@
     <random_ray>
       <distance_active>500.0</distance_active>
       <distance_inactive>100.0</distance_inactive>
-      <source type="independent" strength="1.0" particle="neutron">
-        <space type="box">
-          <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
-        </space>
-      </source>
+      <ray_source>
+        <source type="independent" strength="1.0" particle="neutron">
+          <space type="box">
+            <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
+          </space>
+        </source>
+      </ray_source>
       <volume_normalized_flux_tallies>true</volume_normalized_flux_tallies>
       <volume_estimator>naive</volume_estimator>
     </random_ray>
diff --git a/tests/regression_tests/weightwindows_fw_cadis_local/__init__.py b/tests/regression_tests/weightwindows_fw_cadis_local/__init__.py
new file mode 100644
index 000000000..e69de29bb
diff --git a/tests/regression_tests/weightwindows_fw_cadis_local/inputs_true.dat b/tests/regression_tests/weightwindows_fw_cadis_local/inputs_true.dat
new file mode 100644
index 000000000..ffdd977ec
--- /dev/null
+++ b/tests/regression_tests/weightwindows_fw_cadis_local/inputs_true.dat
@@ -0,0 +1,273 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <cross_sections>mgxs.h5</cross_sections>
+    <material id="1" name="source">
+      <density value="1.0" units="macro"/>
+      <macroscopic name="source"/>
+    </material>
+    <material id="2" name="cavity">
+      <density value="1.0" units="macro"/>
+      <macroscopic name="cavity"/>
+    </material>
+    <material id="3" name="absorber">
+      <density value="1.0" units="macro"/>
+      <macroscopic name="absorber"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" name="infinite source region" material="1" universe="1"/>
+    <cell id="2" name="cube cavity region" material="2" universe="2"/>
+    <cell id="3" name="absorber region" material="3" universe="3"/>
+    <cell id="4" fill="4" universe="5"/>
+    <cell id="5" name="full domain" fill="5" region="1 -2 3 -4 5 -6" universe="6"/>
+    <cell id="6" name="detector 1" material="3" region="1 -10 4 -8 5 -11" universe="6"/>
+    <cell id="7" name="detector 2" material="3" region="2 -7 4 -8 6 -9" universe="6"/>
+    <cell id="8" name="outside cube" material="2" region="(2 3 5 -7 ((-8 -6) | (-4 6 -9))) | (4 -8 ((10 -2 5 -9) | (-10 1 11 -9) | (2 -7 5 -6))) | (1 3 6 -9 ((-8 -2) | (-4 2 -7)))" universe="6"/>
+    <lattice id="4">
+      <pitch>2.5 2.5 2.5</pitch>
+      <dimension>12 12 12</dimension>
+      <lower_left>0.0 0.0 0.0</lower_left>
+      <universes>
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+1 1 2 2 2 2 2 2 2 2 3 3 
+1 1 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+1 1 2 2 2 2 2 2 2 2 3 3 
+1 1 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+2 2 2 2 2 2 2 2 2 2 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 
+3 3 3 3 3 3 3 3 3 3 3 3 </universes>
+    </lattice>
+    <surface id="1" type="x-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="2" type="x-plane" coeffs="30.0"/>
+    <surface id="3" type="y-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="4" type="y-plane" coeffs="30.0"/>
+    <surface id="5" type="z-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="6" type="z-plane" coeffs="30.0"/>
+    <surface id="7" type="x-plane" boundary="vacuum" coeffs="35.0"/>
+    <surface id="8" type="y-plane" boundary="vacuum" coeffs="35.0"/>
+    <surface id="9" type="z-plane" boundary="vacuum" coeffs="35.0"/>
+    <surface id="10" type="x-plane" coeffs="5.0"/>
+    <surface id="11" type="z-plane" coeffs="5.0"/>
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>500</particles>
+    <batches>10</batches>
+    <inactive>5</inactive>
+    <source type="independent" strength="3.14" particle="neutron">
+      <energy type="discrete">
+        <parameters>100.0 1.0</parameters>
+      </energy>
+      <constraints>
+        <domain_type>universe</domain_type>
+        <domain_ids>1</domain_ids>
+      </constraints>
+    </source>
+    <energy_mode>multi-group</energy_mode>
+    <weight_window_generators>
+      <weight_windows_generator>
+        <mesh>2</mesh>
+        <particle_type>neutron</particle_type>
+        <max_realizations>10</max_realizations>
+        <update_interval>1</update_interval>
+        <on_the_fly>true</on_the_fly>
+        <method>fw_cadis</method>
+        <targets>1 2</targets>
+      </weight_windows_generator>
+    </weight_window_generators>
+    <mesh id="2">
+      <dimension>7 7 7</dimension>
+      <lower_left>0.0 0.0 0.0</lower_left>
+      <upper_right>35.0 35.0 35.0</upper_right>
+    </mesh>
+    <random_ray>
+      <distance_active>800.0</distance_active>
+      <distance_inactive>100.0</distance_inactive>
+      <ray_source>
+        <source type="independent" strength="1.0" particle="neutron">
+          <space type="box">
+            <parameters>0.0 0.0 0.0 35.0 35.0 35.0</parameters>
+          </space>
+        </source>
+      </ray_source>
+      <volume_normalized_flux_tallies>true</volume_normalized_flux_tallies>
+      <source_region_meshes>
+        <mesh id="1">
+          <domain id="6" type="universe"/>
+        </mesh>
+      </source_region_meshes>
+      <volume_estimator>naive</volume_estimator>
+    </random_ray>
+    <mesh id="1">
+      <dimension>14 14 14</dimension>
+      <lower_left>0.0 0.0 0.0</lower_left>
+      <upper_right>35.0 35.0 35.0</upper_right>
+    </mesh>
+  </settings>
+  <tallies>
+    <filter id="1" type="cell">
+      <bins>6</bins>
+    </filter>
+    <filter id="2" type="cell">
+      <bins>7</bins>
+    </filter>
+    <tally id="1" name="Detector 1 Tally">
+      <filters>1</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="2" name="Detector 2 Tally">
+      <filters>2</filters>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/weightwindows_fw_cadis_local/results_true.dat b/tests/regression_tests/weightwindows_fw_cadis_local/results_true.dat
new file mode 100644
index 000000000..5991fc621
--- /dev/null
+++ b/tests/regression_tests/weightwindows_fw_cadis_local/results_true.dat
@@ -0,0 +1,696 @@
+RegularMesh
+	ID             =	2
+	Name           =	
+	Dimensions     =	3
+	Voxels         =	[7 7 7]
+	Lower left     =	[0. 0. 0.]
+	Upper Right    =	[np.float64(35.0), np.float64(35.0), np.float64(35.0)]
+	Width          =	[5. 5. 5.]
+Lower Bounds
+1.52e-01
+1.53e-01
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+1.97e-01
+2.41e-01
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\ No newline at end of file
diff --git a/tests/regression_tests/weightwindows_fw_cadis_local/test.py b/tests/regression_tests/weightwindows_fw_cadis_local/test.py
new file mode 100644
index 000000000..abd3f2098
--- /dev/null
+++ b/tests/regression_tests/weightwindows_fw_cadis_local/test.py
@@ -0,0 +1,42 @@
+import os
+
+import openmc
+from openmc.examples import random_ray_three_region_cube_with_detectors
+
+from tests.testing_harness import WeightWindowPyAPITestHarness
+
+
+class MGXSTestHarness(WeightWindowPyAPITestHarness):
+    def _cleanup(self):
+        super()._cleanup()
+        f = 'mgxs.h5'
+        if os.path.exists(f):
+            os.remove(f)
+
+
+def test_weight_windows_fw_cadis_local():
+    model = random_ray_three_region_cube_with_detectors()
+
+    for tally in list(model.tallies):
+        if tally.name in {"Source Tally", "Absorber Tally", "Cavity Tally"}:
+            # leave only the tallies of interest
+            model.tallies.remove(tally)
+
+    ww_mesh = openmc.RegularMesh()
+    n = 7
+    width = 35.0
+    ww_mesh.dimension = (n, n, n)
+    ww_mesh.lower_left = (0.0, 0.0, 0.0)
+    ww_mesh.upper_right = (width, width, width)
+
+    wwg = openmc.WeightWindowGenerator(
+        method="fw_cadis", 
+        targets=model.tallies,
+        mesh=ww_mesh, 
+        max_realizations=model.settings.batches
+    )
+    model.settings.weight_window_generators = wwg
+    model.settings.random_ray['volume_estimator'] = 'naive'
+
+    harness = MGXSTestHarness('statepoint.10.h5', model)
+    harness.main()
diff --git a/tests/regression_tests/weightwindows_fw_cadis_mesh/flat/inputs_true.dat b/tests/regression_tests/weightwindows_fw_cadis_mesh/flat/inputs_true.dat
index ceb89e6e3..a0d84257a 100644
--- a/tests/regression_tests/weightwindows_fw_cadis_mesh/flat/inputs_true.dat
+++ b/tests/regression_tests/weightwindows_fw_cadis_mesh/flat/inputs_true.dat
@@ -222,11 +222,13 @@
     <random_ray>
       <distance_active>500.0</distance_active>
       <distance_inactive>100.0</distance_inactive>
-      <source type="independent" strength="1.0" particle="neutron">
-        <space type="box">
-          <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
-        </space>
-      </source>
+      <ray_source>
+        <source type="independent" strength="1.0" particle="neutron">
+          <space type="box">
+            <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
+          </space>
+        </source>
+      </ray_source>
       <volume_normalized_flux_tallies>true</volume_normalized_flux_tallies>
       <source_region_meshes>
         <mesh id="1">
diff --git a/tests/regression_tests/weightwindows_fw_cadis_mesh/linear/inputs_true.dat b/tests/regression_tests/weightwindows_fw_cadis_mesh/linear/inputs_true.dat
index c7691e950..62f847858 100644
--- a/tests/regression_tests/weightwindows_fw_cadis_mesh/linear/inputs_true.dat
+++ b/tests/regression_tests/weightwindows_fw_cadis_mesh/linear/inputs_true.dat
@@ -222,11 +222,13 @@
     <random_ray>
       <distance_active>500.0</distance_active>
       <distance_inactive>100.0</distance_inactive>
-      <source type="independent" strength="1.0" particle="neutron">
-        <space type="box">
-          <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
-        </space>
-      </source>
+      <ray_source>
+        <source type="independent" strength="1.0" particle="neutron">
+          <space type="box">
+            <parameters>0.0 0.0 0.0 30.0 30.0 30.0</parameters>
+          </space>
+        </source>
+      </ray_source>
       <volume_normalized_flux_tallies>true</volume_normalized_flux_tallies>
       <source_region_meshes>
         <mesh id="1">

From e542b2f035e397a647cc3ad0ae39946b1ad81e7b Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Wed, 6 May 2026 16:07:35 +0100
Subject: [PATCH 2600/2654] Allow Mesh.volumes property for 1D and 2D
 RegularMesh (#3914)

---
 openmc/mesh.py | 9 +++++----
 1 file changed, 5 insertions(+), 4 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 3c3c0a1ac..4129913d8 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -268,10 +268,11 @@ class MeshBase(IDManagerMixin, ABC):
         return string
 
     def _volume_dim_check(self):
-        if self.n_dimension != 3 or \
-           any([d == 0 for d in self.dimension]):
-            raise RuntimeError(f'Mesh {self.id} is not 3D. '
-                               'Volumes cannot be provided.')
+        if any(d == 0 for d in self.dimension):
+            raise RuntimeError(
+                f'Mesh {self.id} has a zero-size dimension. '
+                'Volumes cannot be provided.'
+            )
 
     @classmethod
     def from_hdf5(cls, group: h5py.Group):

From f3e1066d467a3c12a9c964b624608910bc2121ad Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 7 May 2026 18:50:23 -0500
Subject: [PATCH 2601/2654] Include mass_attenuation.h5 in package data (#3936)

---
 pyproject.toml | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/pyproject.toml b/pyproject.toml
index bf4011344..098487c06 100644
--- a/pyproject.toml
+++ b/pyproject.toml
@@ -69,7 +69,7 @@ include = ['openmc*']
 exclude = ['tests*']
 
 [tool.setuptools.package-data]
-"openmc.data.dose" = ["**/*.txt"]
+"openmc.data.dose" = ["**/*.txt", "*.h5"]
 "openmc.data" = ["*.txt", "*.DAT", "*.json", "*.h5"]
 "openmc.lib" = ["libopenmc.dylib", "libopenmc.so"]
 

From d56cda254408971c3f0a79736c46b080ca37f1b7 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 8 May 2026 20:53:12 -0500
Subject: [PATCH 2602/2654] Implement DecaySpectrum distribution type and
 utilize in R2S (#3930)

Co-authored-by: Copilot <copilot@github.com>
---
 docs/source/io_formats/settings.rst |  39 +++-
 docs/source/pythonapi/stats.rst     |   1 +
 include/openmc/chain.h              |   2 +
 include/openmc/distribution.h       |  65 ++++++
 openmc/deplete/r2s.py               | 244 ++++++++++++----------
 openmc/stats/univariate.py          | 309 ++++++++++++++++++++++++++++
 src/chain.cpp                       |   8 +
 src/distribution.cpp                | 124 +++++++++++
 src/finalize.cpp                    |   2 +
 src/initialize.cpp                  |  14 +-
 src/source.cpp                      |  30 ++-
 tests/unit_tests/test_source.py     |  69 +++++++
 tests/unit_tests/test_stats.py      | 135 +++++++++++-
 13 files changed, 908 insertions(+), 134 deletions(-)

diff --git a/docs/source/io_formats/settings.rst b/docs/source/io_formats/settings.rst
index d63376e2b..f8b064a37 100644
--- a/docs/source/io_formats/settings.rst
+++ b/docs/source/io_formats/settings.rst
@@ -1058,17 +1058,19 @@ variable and whose sub-elements/attributes are as follows:
 
 :type:
   The type of the distribution. Valid options are "uniform", "discrete",
-  "tabular", "maxwell", "watt", and "mixture". The "uniform" option produces
-  variates sampled from a uniform distribution over a finite interval. The
-  "discrete" option produces random variates that can assume a finite number
-  of values (i.e., a distribution characterized by a probability mass function).
-  The "tabular" option produces random variates sampled from a tabulated
-  distribution where the density function is either a histogram or
+  "tabular", "maxwell", "watt", "mixture", and "decay_spectrum". The "uniform"
+  option produces variates sampled from a uniform distribution over a finite
+  interval. The "discrete" option produces random variates that can assume a
+  finite number of values (i.e., a distribution characterized by a probability
+  mass function). The "tabular" option produces random variates sampled from a
+  tabulated distribution where the density function is either a histogram or
   linearly-interpolated between tabulated points. The "watt" option produces
   random variates is sampled from a Watt fission spectrum (only used for
   energies). The "maxwell" option produce variates sampled from a Maxwell
-  fission spectrum (only used for energies). The "mixture" option produces samples
-  from univariate sub-distributions with given probabilities.
+  fission spectrum (only used for energies). The "mixture" option produces
+  samples from univariate sub-distributions with given probabilities. The
+  "decay_spectrum" option produces photon energies sampled from decay photon
+  spectra in a depletion chain (only used for energies).
 
   *Default*: None
 
@@ -1086,6 +1088,10 @@ variable and whose sub-elements/attributes are as follows:
   :math:`(x,p)` pairs defining the discrete/tabular distribution. All :math:`x`
   points are given first followed by corresponding :math:`p` points.
 
+  For a "decay_spectrum" distribution, ``parameters`` gives the atom densities
+  in [atom/b-cm] for the nuclides listed in the ``nuclides`` element, in the
+  same order.
+
   For a "watt" distribution, ``parameters`` should be given as two real numbers
   :math:`a` and :math:`b` that parameterize the distribution :math:`p(x) dx = c
   e^{-x/a} \sinh \sqrt{b \, x} dx`.
@@ -1115,6 +1121,21 @@ variable and whose sub-elements/attributes are as follows:
     This sub-element of a ``pair`` element provides information on the
     corresponding univariate distribution.
 
+:volume:
+  For a "decay_spectrum" distribution, this attribute specifies the source
+  region volume in cm\ :sup:`3`. It is used together with atom densities to
+  determine the absolute photon emission rate. When a source uses a
+  "decay_spectrum" energy distribution, the source strength is set from this
+  emission rate.
+
+:nuclides:
+  For a "decay_spectrum" distribution, this element specifies a
+  whitespace-separated list of nuclide names contributing to the decay photon
+  source. The atom densities for these nuclides are given by the ``parameters``
+  element in the same order. Nuclides are resolved against the depletion chain,
+  and nuclides without decay photon spectra do not contribute to the
+  distribution.
+
 :bias:
   This optional element specifies a biased distribution for importance sampling.
   For continuous distributions, the ``bias`` element should contain another
@@ -1300,7 +1321,7 @@ The ``<surface_grazing_cutoff>`` element specifies the surface flux cosine cutof
 ``<surface_grazing_ratio>`` Element
 -----------------------------------
 
-The ``<surface_grazing_ratio>`` element specifies the surface flux cosine 
+The ``<surface_grazing_ratio>`` element specifies the surface flux cosine
 substitution ratio.
 
   *Default*: 0.5
diff --git a/docs/source/pythonapi/stats.rst b/docs/source/pythonapi/stats.rst
index 203d4fea4..2f2e2835a 100644
--- a/docs/source/pythonapi/stats.rst
+++ b/docs/source/pythonapi/stats.rst
@@ -22,6 +22,7 @@ Univariate Probability Distributions
    openmc.stats.Legendre
    openmc.stats.Mixture
    openmc.stats.Normal
+   openmc.stats.DecaySpectrum
 
 .. autosummary::
    :toctree: generated
diff --git a/include/openmc/chain.h b/include/openmc/chain.h
index 6f5830358..e01f2a01c 100644
--- a/include/openmc/chain.h
+++ b/include/openmc/chain.h
@@ -101,6 +101,8 @@ extern vector<unique_ptr<ChainNuclide>> chain_nuclides;
 
 void read_chain_file_xml();
 
+void free_memory_chain();
+
 } // namespace openmc
 
 #endif // OPENMC_CHAIN_H
diff --git a/include/openmc/distribution.h b/include/openmc/distribution.h
index cd81d8801..f319dd19d 100644
--- a/include/openmc/distribution.h
+++ b/include/openmc/distribution.h
@@ -407,6 +407,71 @@ private:
   double integral_;       //!< Integral of distribution
 };
 
+//==============================================================================
+// DecaySpectrum — non-owning mixture of decay photon distributions
+//==============================================================================
+
+//! Energy distribution formed by mixing multiple decay photon spectra.
+//!
+//! Unlike the general Mixture distribution, this class holds non-owning
+//! pointers to the component distributions (which live in
+//! data::chain_nuclides). Each component is weighted by the activity
+//! (atoms * decay_constant) of the corresponding nuclide.
+
+class DecaySpectrum : public Distribution {
+public:
+  //============================================================================
+  // Types, aliases
+
+  struct Sample {
+    double energy;
+    double weight;
+    int parent_nuclide;
+  };
+
+  //============================================================================
+  // Constructors
+
+  //! Construct from an XML node containing nuclide names and atom densities.
+  //!
+  //! Reads child ``<nuclide>`` elements with ``name`` and ``density``
+  //! attributes, resolves them against the loaded depletion chain, and
+  //! constructs the mixed distribution.
+  explicit DecaySpectrum(pugi::xml_node node);
+
+  //============================================================================
+  // Methods
+
+  //! Sample a value from the distribution and return the parent nuclide index
+  //! \param seed Pseudorandom number seed pointer
+  //! \return (Sampled energy, sample weight, chain nuclide index)
+  Sample sample_with_parent(uint64_t* seed) const;
+
+  //! Sample a value from the distribution
+  //! \param seed Pseudorandom number seed pointer
+  //! \return (sampled value, sample weight)
+  std::pair<double, double> sample(uint64_t* seed) const override;
+
+  double integral() const override;
+
+protected:
+  //! Sample a value (unbiased) from the distribution
+  //! \param seed Pseudorandom number seed pointer
+  //! \return Sampled value
+  double sample_unbiased(uint64_t* seed) const override;
+
+private:
+  //! Initialize decay spectrum sampling data
+  //! \param nuclide_indices  Indices of decay photon emitters in
+  //!   data::chain_nuclides
+  //! \param atoms  Number of atoms for each component.
+  void init(vector<int> nuclide_indices, const vector<double>& atoms);
+
+  vector<int> nuclide_indices_; //!< Indices of emitting nuclides in the chain
+  DiscreteIndex di_;            //!< Discrete index for component selection
+  double integral_;             //!< Total photon emission rate
+};
+
 } // namespace openmc
 
 #endif // OPENMC_DISTRIBUTION_H
diff --git a/openmc/deplete/r2s.py b/openmc/deplete/r2s.py
index 10d7fdd50..6dbb3adb2 100644
--- a/openmc/deplete/r2s.py
+++ b/openmc/deplete/r2s.py
@@ -1,5 +1,6 @@
 from __future__ import annotations
 from collections.abc import Sequence
+from contextlib import nullcontext
 import copy
 from datetime import datetime
 import json
@@ -8,6 +9,7 @@ from pathlib import Path
 import numpy as np
 import openmc
 from . import IndependentOperator, PredictorIntegrator
+from .chain import Chain
 from .microxs import get_microxs_and_flux, write_microxs_hdf5, read_microxs_hdf5
 from .results import Results
 from ..checkvalue import PathLike
@@ -149,7 +151,7 @@ class R2SManager:
         photon_time_indices: Sequence[int] | None = None,
         output_dir: PathLike | None = None,
         bounding_boxes: dict[int, openmc.BoundingBox] | None = None,
-        chain_file: PathLike | None = None,
+        chain_file: PathLike | Chain | None = None,
         micro_kwargs: dict | None = None,
         mat_vol_kwargs: dict | None = None,
         run_kwargs: dict | None = None,
@@ -187,9 +189,10 @@ class R2SManager:
             Dictionary mapping cell IDs to bounding boxes used for spatial
             source sampling in cell-based R2S calculations. Required if method
             is 'cell-based'.
-        chain_file : PathLike, optional
-            Path to the depletion chain XML file to use during activation. If
-            not provided, the default configured chain file will be used.
+        chain_file : PathLike or openmc.deplete.Chain, optional
+            Path to the depletion chain XML file or depletion chain object to
+            use during activation. If not provided, the default configured
+            chain file will be used.
         micro_kwargs : dict, optional
             Additional keyword arguments passed to
             :func:`openmc.deplete.get_microxs_and_flux` during the neutron
@@ -216,6 +219,8 @@ class R2SManager:
             # consistency (different ranks may have slightly different times)
             stamp = datetime.now().strftime('%Y-%m-%dT%H-%M-%S')
             output_dir = Path(comm.bcast(f'r2s_{stamp}'))
+        else:
+            output_dir = Path(output_dir)
 
         # Set run_kwargs for the neutron transport step
         if micro_kwargs is None:
@@ -226,22 +231,35 @@ class R2SManager:
             operator_kwargs = {}
         run_kwargs.setdefault('output', False)
         micro_kwargs.setdefault('run_kwargs', run_kwargs)
-        # If a chain file is provided, prefer it for steps 1 and 2
-        if chain_file is not None:
-            micro_kwargs.setdefault('chain_file', chain_file)
-            operator_kwargs.setdefault('chain_file', chain_file)
 
-        self.step1_neutron_transport(
-            output_dir / 'neutron_transport', mat_vol_kwargs, micro_kwargs
-        )
-        self.step2_activation(
-            timesteps, source_rates, timestep_units, output_dir / 'activation',
-            operator_kwargs=operator_kwargs
-        )
-        self.step3_photon_transport(
-            photon_time_indices, bounding_boxes, output_dir / 'photon_transport',
-            mat_vol_kwargs=mat_vol_kwargs, run_kwargs=run_kwargs
+        # DecaySpectrum distributions are resolved in the C++ solver using
+        # OPENMC_CHAIN_FILE. If a Chain object was passed, write an XML
+        # representation alongside the R2S outputs.
+        if isinstance(chain_file, Chain):
+            output_dir.mkdir(parents=True, exist_ok=True)
+            chain_path = output_dir / 'chain.xml'
+            if comm.rank == 0:
+                chain_file.export_to_xml(chain_path)
+            comm.barrier()
+        else:
+            chain_path = chain_file
+
+        chain_context = (
+            openmc.config.patch('chain_file', chain_path)
+            if chain_path is not None else nullcontext()
         )
+        with chain_context:
+            self.step1_neutron_transport(
+                output_dir / 'neutron_transport', mat_vol_kwargs, micro_kwargs
+            )
+            self.step2_activation(
+                timesteps, source_rates, timestep_units,
+                output_dir / 'activation', operator_kwargs=operator_kwargs
+            )
+            self.step3_photon_transport(
+                photon_time_indices, bounding_boxes, output_dir / 'photon_transport',
+                mat_vol_kwargs=mat_vol_kwargs, run_kwargs=run_kwargs
+            )
 
         return output_dir
 
@@ -516,45 +534,30 @@ class R2SManager:
         if different_photon_model:
             photon_cells = self.photon_model.geometry.get_all_cells()
 
-        for time_index in time_indices:
-            # Create decay photon source
-            if self.method == 'mesh-based':
-                self.photon_model.settings.source = \
-                    self.get_decay_photon_source_mesh(time_index)
-            else:
-                sources = []
-                results = self.results['depletion_results']
-                for cell, original_mat in zip(self.domains, self.results['activation_materials']):
-                    # Skip if the cell is not in the photon model or the
-                    # material has changed
-                    if different_photon_model:
-                        if cell.id not in photon_cells or \
+        # Determine eligible work items upfront (independent of time index).
+        if self.method == 'mesh-based':
+            work_items = self._get_mesh_work_items()
+        else:
+            work_items = []
+            for cell, original_mat in zip(
+                    self.domains, self.results['activation_materials']):
+                if different_photon_model:
+                    if cell.id not in photon_cells or \
                             cell.fill.id != photon_cells[cell.id].fill.id:
-                            continue
+                        continue
+                work_items.append((cell, original_mat, bounding_boxes[cell.id]))
 
-                    # Get bounding box for the cell
-                    bounding_box = bounding_boxes[cell.id]
-
-                    # Get activated material composition
-                    activated_mat = results[time_index].get_material(str(original_mat.id))
-
-                    # Create decay photon source source
-                    space = openmc.stats.Box(*bounding_box)
-                    energy = activated_mat.get_decay_photon_energy()
-                    strength = energy.integral() if energy is not None else 0.0
-                    source = openmc.IndependentSource(
-                        space=space,
-                        energy=energy,
-                        particle='photon',
-                        strength=strength,
-                        constraints={'domains': [cell]}
-                    )
-                    sources.append(source)
-                self.photon_model.settings.source = sources
+        # Ensure photon transport is enabled in settings
+        self.photon_model.settings.photon_transport = True
 
+        for time_index in time_indices:
             # Convert time_index (which may be negative) to a normal index
             if time_index < 0:
-                time_index = len(self.results['depletion_results']) + time_index
+                time_index += len(self.results['depletion_results'])
+
+            # Build decay photon sources and assign to the photon model
+            sources = self._create_photon_sources(time_index, work_items)
+            self.photon_model.settings.source = sources
 
             # Run photon transport calculation
             photon_dir = Path(output_dir) / f'time_{time_index}'
@@ -567,58 +570,30 @@ class R2SManager:
                     sp.tallies[tally.id] for tally in self.photon_model.tallies
                 ]
 
-    def get_decay_photon_source_mesh(
-        self,
-        time_index: int = -1
-    ) -> list[openmc.IndependentSource]:
-        """Create decay photon source for a mesh-based calculation.
+    def _get_mesh_work_items(self):
+        """Enumerate mesh-based work items across all meshes.
 
-        For each mesh element-material combination across all meshes, an
-        :class:`~openmc.IndependentSource` is created with a
-        :class:`~openmc.stats.Box` spatial distribution based on the bounding
-        box of the material within the mesh element. A material constraint is
-        also applied so that sampled source sites are limited to the correct
-        region.
-
-        When the photon transport model is different from the neutron model, the
-        photon MeshMaterialVolumes is used to determine whether an (element,
-        material) combination exists in the photon model.
-
-        Parameters
-        ----------
-        time_index : int, optional
-            Time index for the decay photon source. Default is -1 (last time).
+        Returns a list of (index_mat, mat_id, bbox) tuples for each eligible
+        mesh element--material combination, where index_mat is the index into
+        the activation materials list, mat_id is the material ID, and bbox is
+        the bounding box for that mesh element--material combination.
 
         Returns
         -------
-        list of openmc.IndependentSource
-            A list of IndependentSource objects for the decay photons, one for
-            each mesh element-material combination with non-zero source strength.
-
+        list of tuple
+            Each tuple is (index_mat, mat_id, bbox).
         """
-        mat_dict = self.neutron_model._get_all_materials()
-
-        # List to hold all sources
-        sources = []
-
-        # Index in the overall list of activated materials
-        index_mat = 0
-
-        # Get various results from previous steps
         mmv_list = self.results['mesh_material_volumes']
-        materials = self.results['activation_materials']
-        results = self.results['depletion_results']
         photon_mmv_list = self.results.get('mesh_material_volumes_photon')
 
+        work_items = []
+        index_mat = 0
         for mesh_idx, mat_vols in enumerate(mmv_list):
             photon_mat_vols = photon_mmv_list[mesh_idx] \
                 if photon_mmv_list is not None else None
 
-            # Total number of mesh elements for this mesh
             n_elements = mat_vols.num_elements
-
             for index_elem in range(n_elements):
-                # Determine which materials exist in the photon model for this element
                 if photon_mat_vols is not None:
                     photon_materials = {
                         mat_id
@@ -626,36 +601,77 @@ class R2SManager:
                         if mat_id is not None
                     }
 
-                for mat_id, _, bbox in mat_vols.by_element(index_elem, include_bboxes=True):
-                    # Skip void volume
+                for mat_id, _, bbox in mat_vols.by_element(
+                        index_elem, include_bboxes=True):
                     if mat_id is None:
                         continue
-
-                    # Skip if this material doesn't exist in photon model
-                    if photon_mat_vols is not None and mat_id not in photon_materials:
+                    if photon_mat_vols is not None \
+                            and mat_id not in photon_materials:
                         index_mat += 1
                         continue
-
-                    # Get activated material composition
-                    original_mat = materials[index_mat]
-                    activated_mat = results[time_index].get_material(str(original_mat.id))
-
-                    # Create decay photon source
-                    energy = activated_mat.get_decay_photon_energy()
-                    if energy is not None:
-                        strength = energy.integral()
-                        space = openmc.stats.Box(*bbox)
-                        sources.append(openmc.IndependentSource(
-                            space=space,
-                            energy=energy,
-                            particle='photon',
-                            strength=strength,
-                            constraints={'domains': [mat_dict[mat_id]]}
-                        ))
-
-                    # Increment index of activated material
+                    work_items.append((index_mat, mat_id, bbox))
                     index_mat += 1
 
+        return work_items
+
+    def _create_photon_sources(self, time_index, work_items):
+        """Create decay photon sources for a set of regions.
+
+        Builds :class:`openmc.IndependentSource` objects with
+        :class:`openmc.stats.DecaySpectrum` energy distributions that will be
+        serialized to XML and resolved against the depletion chain by the C++
+        solver.
+
+        Parameters
+        ----------
+        time_index : int
+            Index into depletion results.
+        work_items : list of tuple
+            For mesh-based: list of (index_mat, mat_id, bbox).
+            For cell-based: list of (cell, original_mat, bbox).
+
+        Returns
+        -------
+        list of openmc.IndependentSource
+            Photon sources for each activated region.
+        """
+        step_result = self.results['depletion_results'][time_index]
+        materials = self.results['activation_materials']
+        mesh_based = self.method == 'mesh-based'
+        if mesh_based:
+            mat_dict = self.neutron_model._get_all_materials()
+
+        sources = []
+        for item in work_items:
+            if mesh_based:
+                index_mat, domain_id, bbox = item
+                original_mat = materials[index_mat]
+                domain = mat_dict[domain_id]
+            else:
+                cell, original_mat, bbox = item
+                domain = cell
+
+            activated_mat = step_result.get_material(str(original_mat.id))
+            nuclides = activated_mat.get_nuclide_atom_densities()
+            if not nuclides:
+                continue
+
+            # Eliminate nuclides with zero density
+            nuclides = {nuclide: density for nuclide, density in nuclides.items()
+                        if density > 0}
+
+            energy = openmc.stats.DecaySpectrum(nuclides, activated_mat.volume)
+            energy.clip(inplace=True)
+            if not energy.nuclides:
+                continue
+
+            sources.append(openmc.IndependentSource(
+                space=openmc.stats.Box(bbox.lower_left, bbox.upper_right),
+                energy=energy,
+                particle='photon',
+                constraints={'domains': [domain]},
+            ))
+
         return sources
 
     def load_results(self, path: PathLike):
diff --git a/openmc/stats/univariate.py b/openmc/stats/univariate.py
index 1cf9a1ad5..1b18bcb17 100644
--- a/openmc/stats/univariate.py
+++ b/openmc/stats/univariate.py
@@ -2,8 +2,10 @@ from __future__ import annotations
 from abc import ABC, abstractmethod
 from collections import defaultdict
 from collections.abc import Iterable, Sequence
+from functools import cache
 from math import sqrt, pi, exp, log
 from numbers import Real
+from pathlib import Path
 from warnings import warn
 
 import lxml.etree as ET
@@ -14,6 +16,7 @@ import scipy
 
 import openmc.checkvalue as cv
 from openmc.data import atomic_mass, NEUTRON_MASS
+import openmc.data
 from .._xml import get_elem_list, get_text
 from ..mixin import EqualityMixin
 
@@ -124,6 +127,8 @@ class Univariate(EqualityMixin, ABC):
             return Legendre.from_xml_element(elem)
         elif distribution == 'mixture':
             return Mixture.from_xml_element(elem)
+        elif distribution == 'decay_spectrum':
+            return DecaySpectrum.from_xml_element(elem)
 
     @abstractmethod
     def _sample_unbiased(self, n_samples: int = 1, seed: int | None = None):
@@ -2196,6 +2201,310 @@ class Mixture(Univariate):
         return new_dist
 
 
+class DecaySpectrum(Univariate):
+    """Energy distribution from decay photon spectra of a mixture of nuclides.
+
+    This distribution stores nuclide names, their atom densities, and the volume
+    of the region. When written to XML and read by the C++ solver, the nuclide
+    names are resolved against the depletion chain to obtain the decay photon
+    energy spectra and decay constants. The resulting distribution is a mixture
+    of per-nuclide photon spectra weighted by absolute activity. The volume is
+    necessary so that the C++ solver can compute the total photon emission rate
+    in [photons/s], which is used as the source strength.
+
+    .. versionadded:: 0.15.4
+
+    Parameters
+    ----------
+    nuclides : dict
+        Dictionary mapping nuclide name (str) to atom density (float) in units
+        of [atom/b-cm].
+    volume : float
+        Volume of the source region in [cm³]. Used together with atom densities
+        to compute the absolute photon emission rate.
+
+    Attributes
+    ----------
+    nuclides : dict
+        Dictionary mapping nuclide name to atom density in [atom/b-cm].
+    volume : float
+        Volume of the source region in [cm³].
+
+    """
+
+    def __init__(self, nuclides: dict[str, float], volume: float):
+        super().__init__(bias=None)
+        self._dist_cache = None
+        self._dist_cache_key = None
+        self.nuclides = nuclides
+        self.volume = volume
+
+    def __len__(self):
+        return len(self.nuclides)
+
+    @property
+    def nuclides(self):
+        return self._nuclides
+
+    @nuclides.setter
+    def nuclides(self, nuclides):
+        cv.check_type('nuclides', nuclides, dict)
+        for name, density in nuclides.items():
+            cv.check_type('nuclide name', name, str)
+            cv.check_type(f'atom density for {name}', density, Real)
+            cv.check_greater_than(f'atom density for {name}', density, 0.0, True)
+        self._nuclides = dict(nuclides)
+        self._dist_cache = None
+        self._dist_cache_key = None
+
+    @property
+    def volume(self):
+        return self._volume
+
+    @volume.setter
+    def volume(self, volume):
+        cv.check_type('volume', volume, Real)
+        cv.check_greater_than('volume', volume, 0.0)
+        self._volume = float(volume)
+        self._dist_cache = None
+        self._dist_cache_key = None
+
+    @staticmethod
+    def _chain_file_cache_key():
+        """Return a hashable key for the active depletion chain."""
+        chain_file = openmc.config.get('chain_file')
+        if chain_file is None:
+            return None
+
+        path = Path(chain_file).resolve()
+        try:
+            stat = path.stat()
+        except OSError:
+            return (path, None, None)
+        return (path, stat.st_mtime, stat.st_size)
+
+    def to_distribution(self):
+        """Convert to a concrete distribution using decay chain data.
+
+        Builds a combined photon energy distribution by looking up each nuclide
+        in the depletion chain via :func:`openmc.data.decay_photon_energy` and
+        weighting by absolute atom count (``density * 1e24 * volume``). The
+        result is cached on the object; the cache is invalidated automatically
+        when :attr:`nuclides` or :attr:`volume` are reassigned.
+
+        Requires ``openmc.config['chain_file']`` to be set.
+
+        Returns
+        -------
+        openmc.stats.Univariate or None
+            Combined photon energy distribution, or ``None`` if no nuclide in
+            :attr:`nuclides` has a photon source in the chain.
+
+        """
+        chain_key = self._chain_file_cache_key()
+        if self._dist_cache is not None and self._dist_cache_key == chain_key:
+            return self._dist_cache
+
+        dists = []
+        weights = []
+        for name, density in self.nuclides.items():
+            dist = openmc.data.decay_photon_energy(name)
+            if dist is not None:
+                dists.append(dist)
+                weights.append(density * 1e24 * self.volume)
+
+        if not dists:
+            return None
+
+        self._dist_cache = combine_distributions(dists, weights)
+        self._dist_cache_key = chain_key
+        return self._dist_cache
+
+    def to_xml_element(self, element_name: str):
+        """Return XML representation of the decay photon distribution
+
+        Parameters
+        ----------
+        element_name : str
+            XML element name
+
+        Returns
+        -------
+        element : lxml.etree._Element
+            XML element containing decay photon distribution data
+
+        """
+        element = ET.Element(element_name)
+        element.set("type", "decay_spectrum")
+        element.set("volume", str(self.volume))
+        nuclides = ET.SubElement(element, "nuclides")
+        nuclides.text = ' '.join(self.nuclides)
+        parameters = ET.SubElement(element, "parameters")
+        parameters.text = ' '.join(str(density) for density in self.nuclides.values())
+        return element
+
+    @classmethod
+    def from_xml_element(cls, elem: ET.Element):
+        """Generate decay photon distribution from an XML element
+
+        Parameters
+        ----------
+        elem : lxml.etree._Element
+            XML element
+
+        Returns
+        -------
+        openmc.stats.DecaySpectrum
+            Decay photon distribution generated from XML element
+
+        """
+        volume = float(elem.get('volume'))
+        names = get_elem_list(elem, 'nuclides', str)
+        densities = get_elem_list(elem, 'parameters', float)
+        nuclides = dict(zip(names, densities))
+        return cls(nuclides, volume)
+
+    def _sample_unbiased(self, n_samples=1, seed=None):
+        dist = self.to_distribution()
+        if dist is None:
+            raise RuntimeError(
+                "DecaySpectrum._sample_unbiased requires chain data but none "
+                "was found. Ensure openmc.config['chain_file'] is set and the "
+                "chain contains photon sources for the nuclides present."
+            )
+        return dist.sample(n_samples, seed)[0]
+
+    def integral(self):
+        """Return integral of the distribution
+
+        Returns the total photon emission rate in [photons/s] by delegating to
+        :meth:`to_distribution`. Returns ``0.0`` when no chain data is
+        available (e.g., ``openmc.config['chain_file']`` is not set).
+
+        Returns
+        -------
+        float
+            Total photon emission rate in [photons/s], or ``0.0`` if chain
+            data is unavailable.
+        """
+        try:
+            dist = self.to_distribution()
+        except Exception:
+            return 0.0
+        if dist is None:
+            return 0.0
+        return dist.integral()
+
+    @staticmethod
+    @cache
+    def _photon_integral(nuclide: str, chain_key) -> float | None:
+        """Return the per-atom photon emission integral for a nuclide"""
+        dist = openmc.data.decay_photon_energy(nuclide)
+        return dist.integral() if dist is not None else None
+
+    def clip(self, tolerance: float = 1e-9, inplace: bool = False):
+        """Remove nuclides with negligible contribution to photon emission.
+
+        Nuclides that are stable or have no photon source in the depletion
+        chain are removed unconditionally.  The remaining nuclides are ranked
+        by their photon emission rate (proportional to
+        ``atom_density * decay_constant * photon_yield``) and the least
+        important are discarded until the cumulative discarded fraction of the
+        total emission rate exceeds *tolerance*.
+
+        Requires ``openmc.config['chain_file']`` to be set.
+
+        Parameters
+        ----------
+        tolerance : float
+            Maximum fraction of total photon emission rate that may be
+            discarded.
+        inplace : bool
+            Whether to modify the current object in-place or return a new one.
+
+        Returns
+        -------
+        openmc.stats.DecaySpectrum
+            Distribution with negligible nuclides removed.
+
+        """
+        # Compute per-nuclide emission rate; drop non-emitters
+        emitting_names = []
+        emitting_densities = []
+        rates = []
+        chain_key = self._chain_file_cache_key()
+        for name, density in self.nuclides.items():
+            integral = DecaySpectrum._photon_integral(name, chain_key)
+            if integral is None:
+                continue
+            emitting_names.append(name)
+            emitting_densities.append(density)
+            rates.append(density * self.volume * integral)
+
+        if not emitting_names:
+            new_nuclides = {}
+        else:
+            indices = _intensity_clip(rates, tolerance=tolerance)
+            new_nuclides = {
+                emitting_names[i]: emitting_densities[i] for i in indices
+            }
+
+        if inplace:
+            self._nuclides = new_nuclides
+            self._dist_cache = None
+            self._dist_cache_key = None
+            return self
+        return type(self)(new_nuclides, self.volume)
+
+    @property
+    def support(self):
+        return (0.0, np.inf)
+
+    def evaluate(self, x):
+        """Evaluate the probability density at a given value.
+
+        Delegates to the combined distribution built from chain data. Raises
+        ``NotImplementedError`` if the combined distribution is a
+        :class:`~openmc.stats.Mixture` (which does not support
+        ``evaluate()``).
+
+        Parameters
+        ----------
+        x : float
+            Value at which to evaluate the PDF.
+
+        Returns
+        -------
+        float
+            Probability density at *x*.
+        """
+        dist = self.to_distribution()
+        if dist is None:
+            raise RuntimeError(
+                "DecaySpectrum.evaluate requires chain data. Ensure "
+                "openmc.config['chain_file'] is set."
+            )
+        return dist.evaluate(x)
+
+    def mean(self):
+        """Return the mean of the distribution.
+
+        Delegates to the combined distribution built from chain data.
+
+        Returns
+        -------
+        float
+            Mean photon energy in [eV].
+        """
+        dist = self.to_distribution()
+        if dist is None:
+            raise RuntimeError(
+                "DecaySpectrum.mean requires chain data. Ensure "
+                "openmc.config['chain_file'] is set."
+            )
+        return dist.mean()
+
+
 def combine_distributions(
     dists: Sequence[Discrete | Tabular | Mixture],
     probs: Sequence[float]
diff --git a/src/chain.cpp b/src/chain.cpp
index e4d0324d3..3915c016c 100644
--- a/src/chain.cpp
+++ b/src/chain.cpp
@@ -98,6 +98,8 @@ vector<unique_ptr<ChainNuclide>> chain_nuclides;
 
 void read_chain_file_xml()
 {
+  free_memory_chain();
+
   char* chain_file_path = std::getenv("OPENMC_CHAIN_FILE");
   if (!chain_file_path) {
     return;
@@ -120,4 +122,10 @@ void read_chain_file_xml()
   }
 }
 
+void free_memory_chain()
+{
+  data::chain_nuclides.clear();
+  data::chain_nuclide_map.clear();
+}
+
 } // namespace openmc
diff --git a/src/distribution.cpp b/src/distribution.cpp
index c722d0366..7f5b498ad 100644
--- a/src/distribution.cpp
+++ b/src/distribution.cpp
@@ -7,7 +7,9 @@
 #include <numeric>   // for accumulate
 #include <stdexcept> // for runtime_error
 #include <string>    // for string, stod
+#include <unordered_set>
 
+#include "openmc/chain.h"
 #include "openmc/constants.h"
 #include "openmc/error.h"
 #include "openmc/math_functions.h"
@@ -15,6 +17,10 @@
 #include "openmc/random_lcg.h"
 #include "openmc/xml_interface.h"
 
+namespace {
+std::unordered_set<std::string> decay_spectrum_missing_chain_nuclides;
+}
+
 namespace openmc {
 
 //==============================================================================
@@ -758,6 +764,8 @@ UPtrDist distribution_from_xml(pugi::xml_node node)
     dist = UPtrDist {new Tabular(node)};
   } else if (type == "mixture") {
     dist = UPtrDist {new Mixture(node)};
+  } else if (type == "decay_spectrum") {
+    dist = UPtrDist {new DecaySpectrum(node)};
   } else if (type == "muir") {
     openmc::fatal_error(
       "'muir' distributions are now specified using the openmc.stats.muir() "
@@ -768,4 +776,120 @@ UPtrDist distribution_from_xml(pugi::xml_node node)
   return dist;
 }
 
+//==============================================================================
+// DecaySpectrum implementation
+//==============================================================================
+
+DecaySpectrum::DecaySpectrum(pugi::xml_node node)
+{
+  // Read the region volume [cm^3] needed for absolute emission rate
+  if (!check_for_node(node, "volume"))
+    fatal_error("DecaySpectrum: 'volume' attribute is required.");
+  double volume = std::stod(get_node_value(node, "volume"));
+
+  // Read nuclide names and atom densities from XML
+  vector<int> nuclide_indices;
+  vector<double> atoms;
+  auto names = get_node_array<std::string>(node, "nuclides");
+  auto densities = get_node_array<double>(node, "parameters");
+  if (names.size() != densities.size()) {
+    fatal_error("DecaySpectrum nuclides and parameters must have the same "
+                "length.");
+  }
+
+  for (size_t i = 0; i < names.size(); ++i) {
+    const auto& name = names[i];
+    double density = densities[i];
+
+    // Look up nuclide in the depletion chain
+    auto it = data::chain_nuclide_map.find(name);
+    if (it == data::chain_nuclide_map.end()) {
+      if (decay_spectrum_missing_chain_nuclides.insert(name).second) {
+        warning("Nuclide '" + name +
+                "' appears in a DecaySpectrum source but is not present in "
+                "the depletion chain; it will be ignored.");
+      }
+      continue;
+    }
+
+    int nuclide_index = it->second;
+    const auto& chain_nuc = data::chain_nuclides[nuclide_index];
+    const Distribution* photon_dist = chain_nuc->photon_energy();
+    if (!photon_dist)
+      continue;
+
+    // Skip non-positive densities and warn if negative
+    if (density <= 0.0) {
+      if (density < 0.0) {
+        warning("Nuclide '" + name +
+                "' has a negative density in a DecaySpectrum source; it will "
+                "be ignored.");
+      }
+      continue;
+    }
+
+    // atoms = density [atom/b-cm] * 1e24 [b/cm^2] * volume [cm^3]
+    double atoms_i = density * 1.0e24 * volume;
+
+    nuclide_indices.push_back(nuclide_index);
+    atoms.push_back(atoms_i);
+  }
+
+  init(std::move(nuclide_indices), atoms);
+}
+
+void DecaySpectrum::init(
+  vector<int> nuclide_indices, const vector<double>& atoms)
+{
+  if (nuclide_indices.size() != atoms.size()) {
+    fatal_error("DecaySpectrum nuclide index and atoms arrays must have "
+                "the same length.");
+  }
+
+  vector<double> probs;
+  probs.reserve(nuclide_indices.size());
+  for (size_t i = 0; i < nuclide_indices.size(); ++i) {
+    // Distribution integral is in [photons/s/atom]; multiplying by atoms gives
+    // the total emission rate [photons/s] for this nuclide.
+    const auto* dist =
+      data::chain_nuclides[nuclide_indices[i]]->photon_energy();
+    probs.push_back(atoms[i] * dist->integral());
+  }
+
+  nuclide_indices_ = std::move(nuclide_indices);
+  integral_ = std::accumulate(probs.begin(), probs.end(), 0.0);
+  if (nuclide_indices_.empty() || integral_ <= 0.0) {
+    fatal_error("DecaySpectrum source did not resolve any nuclides with decay "
+                "photon spectra and positive atom densities. Ensure "
+                "OPENMC_CHAIN_FILE is set and matches the nuclides in the "
+                "source definition.");
+  }
+  di_.assign(probs);
+}
+
+DecaySpectrum::Sample DecaySpectrum::sample_with_parent(uint64_t* seed) const
+{
+  size_t idx = di_.sample(seed);
+  int parent_nuclide = nuclide_indices_[idx];
+  const auto* dist = data::chain_nuclides[parent_nuclide]->photon_energy();
+  auto [energy, weight] = dist->sample(seed);
+  return {energy, weight, parent_nuclide};
+}
+
+std::pair<double, double> DecaySpectrum::sample(uint64_t* seed) const
+{
+  auto sample = sample_with_parent(seed);
+  return {sample.energy, sample.weight};
+}
+
+double DecaySpectrum::integral() const
+{
+  return integral_;
+}
+
+double DecaySpectrum::sample_unbiased(uint64_t* seed) const
+{
+  return sample_with_parent(seed).energy;
+}
+
 } // namespace openmc
diff --git a/src/finalize.cpp b/src/finalize.cpp
index 98f112534..59711dcc3 100644
--- a/src/finalize.cpp
+++ b/src/finalize.cpp
@@ -2,6 +2,7 @@
 
 #include "openmc/bank.h"
 #include "openmc/capi.h"
+#include "openmc/chain.h"
 #include "openmc/cmfd_solver.h"
 #include "openmc/collision_track.h"
 #include "openmc/constants.h"
@@ -44,6 +45,7 @@ void free_memory()
   free_memory_photon();
   free_memory_settings();
   free_memory_thermal();
+  free_memory_chain();
   library_clear();
   nuclides_clear();
   free_memory_source();
diff --git a/src/initialize.cpp b/src/initialize.cpp
index efb462f5c..991877b24 100644
--- a/src/initialize.cpp
+++ b/src/initialize.cpp
@@ -405,6 +405,10 @@ bool read_model_xml()
   write_message(
     fmt::format("Reading model XML file '{}' ...", model_filename), 5);
 
+  // Read chain data before settings so DecaySpectrum source distributions can
+  // resolve nuclides while sources are constructed.
+  read_chain_file_xml();
+
   read_settings_xml(settings_root);
 
   // If other XML files are present, display warning
@@ -420,9 +424,6 @@ bool read_model_xml()
     }
   }
 
-  // Read data from chain file
-  read_chain_file_xml();
-
   // Read materials and cross sections
   if (!check_for_node(root, "materials")) {
     fatal_error(fmt::format(
@@ -475,14 +476,15 @@ bool read_model_xml()
 
 void read_separate_xml_files()
 {
+  // Read chain data before settings so DecaySpectrum source distributions can
+  // resolve nuclides while sources are constructed.
+  read_chain_file_xml();
+
   read_settings_xml();
   if (settings::run_mode != RunMode::PLOTTING) {
     read_cross_sections_xml();
   }
 
-  // Read data from chain file
-  read_chain_file_xml();
-
   read_materials_xml();
   read_geometry_xml();
 
diff --git a/src/source.cpp b/src/source.cpp
index 524a72bf0..bee20d5c3 100644
--- a/src/source.cpp
+++ b/src/source.cpp
@@ -354,6 +354,19 @@ IndependentSource::IndependentSource(pugi::xml_node node) : Source(node)
     if (check_for_node(node, "energy")) {
       pugi::xml_node node_dist = node.child("energy");
       energy_ = distribution_from_xml(node_dist);
+
+      // For decay photon sources, use the absolute photon emission rate in
+      // [photons/s] as the source strength
+      if (dynamic_cast<DecaySpectrum*>(energy_.get())) {
+        if (strength_ != 1.0) {
+          warning(fmt::format(
+            "Source strength of {} is ignored because the source uses a "
+            "DecaySpectrum energy distribution. The source strength will be "
+            "set from the DecaySpectrum emission rate.",
+            strength_));
+        }
+        strength_ = energy_->integral();
+      }
     } else {
       // Default to a Watt spectrum with parameters 0.988 MeV and 2.249 MeV^-1
       energy_ = UPtrDist {new Watt(0.988e6, 2.249e-6)};
@@ -414,6 +427,7 @@ SourceSite IndependentSource::sample(uint64_t* seed) const
     // Check for monoenergetic source above maximum particle energy
     auto p = particle_.transport_index();
     auto energy_ptr = dynamic_cast<Discrete*>(energy_.get());
+    auto decay_spectrum = dynamic_cast<DecaySpectrum*>(energy_.get());
     if (energy_ptr) {
       auto energies =
         tensor::Tensor<double>(energy_ptr->x().data(), energy_ptr->x().size());
@@ -424,10 +438,18 @@ SourceSite IndependentSource::sample(uint64_t* seed) const
     }
 
     while (true) {
-      // Sample energy spectrum
-      auto [E, E_wgt_temp] = energy_->sample(seed);
-      site.E = E;
-      E_wgt = E_wgt_temp;
+      // Sample energy spectrum. For decay photon sources, also get the parent
+      // nuclide index to store in the source site for tallying purposes.
+      if (decay_spectrum) {
+        auto sample = decay_spectrum->sample_with_parent(seed);
+        site.E = sample.energy;
+        E_wgt = sample.weight;
+        site.parent_nuclide = sample.parent_nuclide;
+      } else {
+        auto [E, E_wgt_temp] = energy_->sample(seed);
+        site.E = E;
+        E_wgt = E_wgt_temp;
+      }
 
       // Resample if energy falls above maximum particle energy
       if (site.E < data::energy_max[p] &&
diff --git a/tests/unit_tests/test_source.py b/tests/unit_tests/test_source.py
index 6eb03f388..394c09e73 100644
--- a/tests/unit_tests/test_source.py
+++ b/tests/unit_tests/test_source.py
@@ -1,5 +1,6 @@
 from collections import Counter
 from math import pi
+from pathlib import Path
 
 import openmc
 import openmc.lib
@@ -91,6 +92,74 @@ def test_point_cloud_strengths(run_in_tmpdir, sphere_box_model):
         assert sampled_strength == expected_strength, f'Strength incorrect for {positions[i]}'
 
 
+def test_decay_spectrum_parent_nuclide(run_in_tmpdir):
+    chain_file = Path('chain_decay_spectrum_parent.xml')
+    chain_file.write_text("""<?xml version="1.0"?>
+<depletion_chain>
+  <nuclide name="ParentA" decay_modes="0" reactions="0" half_life="1.0">
+    <source type="discrete" particle="photon">
+      <parameters>1000000.0 1.0</parameters>
+    </source>
+  </nuclide>
+  <nuclide name="ParentB" decay_modes="0" reactions="0" half_life="1.0">
+    <source type="discrete" particle="photon">
+      <parameters>2000000.0 1.0</parameters>
+    </source>
+  </nuclide>
+</depletion_chain>
+""")
+
+    inner_sphere = openmc.Sphere(r=10.0)
+    outer_sphere = openmc.Sphere(r=20.0, boundary_type='vacuum')
+
+    shell_mat = openmc.Material()
+    shell_mat.add_nuclide('H1', 1.0)
+    shell_mat.set_density('atom/b-cm', 1.0e-12)
+
+    void_cell = openmc.Cell(region=-inner_sphere)
+    shell_cell = openmc.Cell(fill=shell_mat, region=+inner_sphere & -outer_sphere)
+
+    model = openmc.Model()
+    model.geometry = openmc.Geometry([void_cell, shell_cell])
+    model.materials = [shell_mat]
+    model.settings.run_mode = 'fixed source'
+    model.settings.photon_transport = True
+    model.settings.particles = 1000
+    model.settings.batches = 5
+    model.settings.source = openmc.IndependentSource(
+        particle='photon',
+        space=openmc.stats.Point((0.0, 0.0, 0.0)),
+        energy=openmc.stats.DecaySpectrum(
+            {'ParentA': 1.0, 'ParentB': 1.0},
+            volume=1.0
+        )
+    )
+
+    tally = openmc.Tally()
+    tally.filters = [
+        openmc.CellFilter([void_cell]),
+        openmc.ParticleFilter(['photon']),
+        openmc.EnergyFilter([0.0, 1.5e6, 2.5e6]),
+        openmc.ParentNuclideFilter(['ParentA', 'ParentB'])
+    ]
+    tally.scores = ['flux']
+    model.tallies = [tally]
+
+    with openmc.config.patch('chain_file', chain_file):
+        sp_filename = model.run()
+
+    with openmc.StatePoint(sp_filename) as sp:
+        tally_out = sp.tallies[tally.id]
+        mean = tally_out.get_reshaped_data('mean').squeeze()
+
+    assert mean.shape == (2, 2)
+    assert mean[0, 0] > 0.0
+    assert mean[1, 1] > 0.0
+    assert mean[0, 1] == 0.0
+    assert mean[1, 0] == 0.0
+    assert np.count_nonzero(mean) == 2
+
+
 def test_source_file():
     filename = 'source.h5'
     src = openmc.FileSource(path=filename)
diff --git a/tests/unit_tests/test_stats.py b/tests/unit_tests/test_stats.py
index ca961c8b0..2754cf5d0 100644
--- a/tests/unit_tests/test_stats.py
+++ b/tests/unit_tests/test_stats.py
@@ -1,10 +1,11 @@
 from math import pi
+from pathlib import Path
 
 import numpy as np
 import pytest
 import openmc
 import openmc.stats
-from openmc.stats.univariate import _INTERPOLATION_SCHEMES
+from openmc.stats.univariate import _INTERPOLATION_SCHEMES, DecaySpectrum
 from scipy.integrate import trapezoid
 
 from tests.unit_tests import assert_sample_mean
@@ -1013,3 +1014,135 @@ def test_fusion_spectrum_invalid():
     # Temperature above 100 keV should raise an error
     with pytest.raises(ValueError):
         openmc.stats.fusion_neutron_spectrum(101e3, 'DT')
+
+
+@pytest.fixture(autouse=False)
+def decay_spectrum_chain():
+    """Set chain_file for the duration of a test and clear the _photon_integral
+    cache so results from a different chain don't bleed across tests."""
+    CHAIN_FILE = (Path(__file__).parents[1] / 'chain_simple.xml').resolve()
+    DecaySpectrum._photon_integral.cache_clear()
+    with openmc.config.patch('chain_file', CHAIN_FILE):
+        yield
+    DecaySpectrum._photon_integral.cache_clear()
+
+
+def test_decay_spectrum_construction():
+    nuclides = {'I135': 1.5e-3, 'Xe135': 8.2e-4}
+    d = openmc.stats.DecaySpectrum(nuclides, volume=100.0)
+    assert d.nuclides == nuclides
+    assert d.volume == pytest.approx(100.0)
+    assert len(d) == 2
+
+
+def test_decay_spectrum_validation():
+    # nuclides must be a dict
+    with pytest.raises(TypeError):
+        openmc.stats.DecaySpectrum(['I135'], volume=1.0)
+
+    # densities must be > 0
+    with pytest.raises(ValueError):
+        openmc.stats.DecaySpectrum({'I135': -1.0}, volume=1.0)
+
+    # volume must be > 0
+    with pytest.raises(ValueError):
+        openmc.stats.DecaySpectrum({'I135': 1e-3}, volume=-1.0)
+
+    with pytest.raises(ValueError):
+        openmc.stats.DecaySpectrum({'I135': 1e-3}, volume=0.0)
+
+
+def test_decay_spectrum_xml_roundtrip():
+    nuclides = {'I135': 1.5e-3, 'Xe135': 8.2e-4}
+    d = openmc.stats.DecaySpectrum(nuclides, volume=100.0)
+
+    elem = d.to_xml_element('energy')
+    assert elem.get('type') == 'decay_spectrum'
+    assert float(elem.get('volume')) == pytest.approx(100.0)
+    assert elem.findtext('nuclides').split() == list(nuclides)
+    assert [float(x) for x in elem.findtext('parameters').split()] == pytest.approx(
+        list(nuclides.values()))
+
+    # Round-trip via DecaySpectrum.from_xml_element
+    d2 = openmc.stats.DecaySpectrum.from_xml_element(elem)
+    assert d2.nuclides == nuclides
+    assert d2.volume == pytest.approx(100.0)
+
+    # Round-trip via the Univariate dispatcher
+    d3 = openmc.stats.Univariate.from_xml_element(elem)
+    assert isinstance(d3, openmc.stats.DecaySpectrum)
+    assert d3 == d
+
+
+def test_decay_spectrum_to_distribution(decay_spectrum_chain):
+    # Single emitting nuclide -> concrete distribution, not None
+    d = openmc.stats.DecaySpectrum({'I135': 1e-3}, volume=10.0)
+    dist = d.to_distribution()
+    assert dist is not None
+
+    # Result is cached on second call
+    dist2 = d.to_distribution()
+    assert dist2 is dist
+
+    # Nuclide with no photon source -> None
+    d_stable = openmc.stats.DecaySpectrum({'Xe136': 1e-3}, volume=10.0)
+    assert d_stable.to_distribution() is None
+
+    # Mixture of emitters -> non-None combined distribution
+    d_mix = openmc.stats.DecaySpectrum(
+        {'I135': 1e-3, 'Xe135': 5e-4}, volume=10.0
+    )
+    dist_mix = d_mix.to_distribution()
+    assert dist_mix is not None
+
+
+def test_decay_spectrum_integral(decay_spectrum_chain):
+    # For an emitting nuclide, integral should be > 0
+    d = openmc.stats.DecaySpectrum({'I135': 1e-3}, volume=10.0)
+    assert d.integral() > 0.0
+
+    # Proportional to density: doubling density doubles integral
+    d2 = openmc.stats.DecaySpectrum({'I135': 2e-3}, volume=10.0)
+    assert d2.integral() == pytest.approx(2.0 * d.integral())
+
+    # Proportional to volume
+    d3 = openmc.stats.DecaySpectrum({'I135': 1e-3}, volume=20.0)
+    assert d3.integral() == pytest.approx(2.0 * d.integral())
+
+    # Pure non-emitter -> 0.0
+    d_stable = openmc.stats.DecaySpectrum({'Xe136': 1e-3}, volume=10.0)
+    assert d_stable.integral() == pytest.approx(0.0)
+
+
+def test_decay_spectrum_clip(decay_spectrum_chain):
+    # Stable / non-emitting nuclides are removed unconditionally
+    d = openmc.stats.DecaySpectrum(
+        {'I135': 1e-3, 'Xe135': 5e-4, 'Xe136': 1.0, 'Cs135': 1.0},
+        volume=10.0,
+    )
+    d_clip = d.clip()
+    assert 'Xe136' not in d_clip.nuclides
+    assert 'Cs135' not in d_clip.nuclides
+    assert 'I135' in d_clip.nuclides
+    assert 'Xe135' in d_clip.nuclides
+    # Original is unchanged
+    assert 'Xe136' in d.nuclides
+
+    # inplace=True modifies and returns the same object
+    d_same = d.clip(inplace=True)
+    assert d_same is d
+    assert 'Xe136' not in d.nuclides
+
+    # A nuclide with negligible emission rate is removed by tolerance clipping.
+    # U235 has a very small integral (~4e-17 Bq/atom) compared with I135 (~4e-5)
+    d_tight = openmc.stats.DecaySpectrum(
+        {'I135': 1e-3, 'U235': 1e-3}, volume=10.0
+    )
+    d_tight_clip = d_tight.clip(tolerance=1e-9)
+    assert 'U235' not in d_tight_clip.nuclides
+    assert 'I135' in d_tight_clip.nuclides
+
+    # All non-emitters -> empty nuclides dict
+    d_empty = openmc.stats.DecaySpectrum({'Xe136': 1e-3}, volume=10.0)
+    d_empty.clip(inplace=True)
+    assert d_empty.nuclides == {}

From 195dff6d1d22cc8dd5ed840d846073ff22fed550 Mon Sep 17 00:00:00 2001
From: Hridoy Kabiraj <rudrokabiraj@gmail.com>
Date: Mon, 18 May 2026 20:20:59 +0600
Subject: [PATCH 2603/2654] Fix missing volume checks in material
 activity/decay heat (#3939)

---
 openmc/material.py                | 5 +++++
 tests/unit_tests/test_material.py | 6 ++++++
 2 files changed, 11 insertions(+)

diff --git a/openmc/material.py b/openmc/material.py
index 2dbe691f5..86cc3d793 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -1418,6 +1418,9 @@ class Material(IDManagerMixin):
         if volume is None:
             volume = self.volume
 
+        if units in {'Bq', 'Ci'} and volume is None:
+            raise ValueError(f"Volume must be set in order to compute activity in '{units}'.")
+
         if units == 'Bq':
             multiplier = volume
         elif units == 'Bq/cm3':
@@ -1474,6 +1477,8 @@ class Material(IDManagerMixin):
 
         if units == 'W':
             multiplier = volume if volume is not None else self.volume
+            if multiplier is None:
+                raise ValueError("Volume must be set in order to compute total decay heat.")
         elif units == 'W/cm3':
             multiplier = 1
         elif units == 'W/m3':
diff --git a/tests/unit_tests/test_material.py b/tests/unit_tests/test_material.py
index 911b8867f..89dfc03dd 100644
--- a/tests/unit_tests/test_material.py
+++ b/tests/unit_tests/test_material.py
@@ -561,6 +561,10 @@ def test_get_activity():
     m1.add_element("Fe", 0.7)
     m1.add_element("Li", 0.3)
     m1.set_density('g/cm3', 1.5)
+    with pytest.raises(ValueError, match="Volume must be set"):
+        m1.get_activity(units='Bq')
+    with pytest.raises(ValueError, match="Volume must be set"):
+        m1.get_activity(units='Ci')
     # activity in Bq/cc and Bq/g should not require volume setting
     assert m1.get_activity(units='Bq/cm3') == 0
     assert m1.get_activity(units='Bq/g') == 0
@@ -619,6 +623,8 @@ def test_get_decay_heat():
     m1.add_nuclide("U235", 0.2)
     m1.add_nuclide("U238", 0.8)
     m1.set_density('g/cm3', 10.5)
+    with pytest.raises(ValueError, match="Volume must be set"):
+        m1.get_decay_heat(units='W')
     # decay heat in W/cc and W/g should not require volume setting
     assert m1.get_decay_heat(units='W/cm3') == 0
     assert m1.get_decay_heat(units='W/g') == 0

From beed56e6ee44037a1543e7ff3cc8815376634c18 Mon Sep 17 00:00:00 2001
From: charliesheh <59520443+charliesheh@users.noreply.github.com>
Date: Mon, 18 May 2026 11:35:56 -0700
Subject: [PATCH 2604/2654] Check for missing thread count argument for
 -s/--threads (#3940)

---
 src/initialize.cpp | 5 +++++
 1 file changed, 5 insertions(+)

diff --git a/src/initialize.cpp b/src/initialize.cpp
index 991877b24..c04a2fcbd 100644
--- a/src/initialize.cpp
+++ b/src/initialize.cpp
@@ -300,6 +300,11 @@ int parse_command_line(int argc, char* argv[])
         settings::run_mode = RunMode::VOLUME;
       } else if (arg == "-s" || arg == "--threads") {
         // Read number of threads
+        if (i + 1 >= argc) {
+          std::string msg {"Number of threads not specified."};
+          strcpy(openmc_err_msg, msg.c_str());
+          return OPENMC_E_INVALID_ARGUMENT;
+        }
         i += 1;
 
 #ifdef _OPENMP

From 0169fd9226786863e499a367d71e5eaae6adabb8 Mon Sep 17 00:00:00 2001
From: John Tramm <john.tramm@gmail.com>
Date: Tue, 19 May 2026 23:23:10 -0500
Subject: [PATCH 2605/2654] Shared Secondary Particle Bank (#3863)

Co-authored-by: John Tramm <jtramm@gmail.com>
Co-authored-by: Claude Opus 4.6 <noreply@anthropic.com>
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
Co-authored-by: Copilot <copilot@github.com>
---
 docs/source/io_formats/settings.rst           |  59 +--
 include/openmc/bank.h                         |   8 +-
 include/openmc/event.h                        |  13 +
 include/openmc/particle.h                     |   3 +-
 include/openmc/particle_data.h                |  34 +-
 include/openmc/settings.h                     |   3 +-
 include/openmc/shared_array.h                 |  30 +-
 include/openmc/simulation.h                   |  33 +-
 openmc/lib/core.py                            |   5 +-
 openmc/settings.py                            |  43 +-
 src/bank.cpp                                  | 202 +++++++++-
 src/event.cpp                                 |  51 ++-
 src/finalize.cpp                              |   3 +
 src/ifp.cpp                                   |   4 +-
 src/initialize.cpp                            |  59 ++-
 src/output.cpp                                |   8 +
 src/particle.cpp                              | 178 ++++----
 src/particle_restart.cpp                      |  23 +-
 src/physics.cpp                               |  14 +-
 src/physics_mg.cpp                            |   9 +-
 src/settings.cpp                              |  22 +
 src/simulation.cpp                            | 379 +++++++++++++++---
 src/tallies/filter_particle_production.cpp    |   2 +-
 src/tallies/tally_scoring.cpp                 |   9 +-
 .../__init__.py                               |   0
 .../inputs_true.dat                           |  65 +++
 .../results_true.dat                          |  11 +
 .../test.py                                   |  91 +++++
 .../particle_production_fission/__init__.py   |   0
 .../local/inputs_true.dat                     |  38 ++
 .../local/results_true.dat                    |   3 +
 .../shared/inputs_true.dat                    |  38 ++
 .../shared/results_true.dat                   |   3 +
 .../particle_production_fission/test.py       |  49 +++
 .../__init__.py                               |   0
 .../geometry.xml                              |   9 +
 .../materials.xml                             |   9 +
 .../results_true.dat                          |  16 +
 .../settings.xml                              |  15 +
 .../test.py                                   |   6 +
 .../pulse_height/{ => local}/inputs_true.dat  |   4 +-
 .../pulse_height/{ => local}/results_true.dat |   0
 .../pulse_height/shared/inputs_true.dat       |  40 ++
 .../pulse_height/shared/results_true.dat      | 201 ++++++++++
 tests/regression_tests/pulse_height/test.py   |  80 ++--
 .../weightwindows/local/inputs_true.dat       |  94 +++++
 .../weightwindows/local/results_true.dat      |   1 +
 .../weightwindows/results_true.dat            |   1 -
 .../{ => shared}/inputs_true.dat              |   1 +
 .../weightwindows/shared/results_true.dat     |   1 +
 .../survival_biasing/local/inputs_true.dat    |  69 ++++
 .../{ => local}/results_true.dat              |   0
 .../{ => shared}/inputs_true.dat              |   1 +
 .../survival_biasing/shared/results_true.dat  |   1 +
 .../weightwindows/survival_biasing/test.py    |  28 +-
 tests/regression_tests/weightwindows/test.py  |  28 +-
 .../weightwindows_pulse_height/__init__.py    |   0
 .../local/inputs_true.dat                     |  60 +++
 .../local/results_true.dat                    | 201 ++++++++++
 .../shared/inputs_true.dat                    |  60 +++
 .../shared/results_true.dat                   | 201 ++++++++++
 .../weightwindows_pulse_height/test.py        |  73 ++++
 tests/unit_tests/weightwindows/test.py        |  16 +-
 63 files changed, 2409 insertions(+), 299 deletions(-)
 create mode 100644 tests/regression_tests/mg_fixed_source_ww_fission_shared_secondary/__init__.py
 create mode 100644 tests/regression_tests/mg_fixed_source_ww_fission_shared_secondary/inputs_true.dat
 create mode 100644 tests/regression_tests/mg_fixed_source_ww_fission_shared_secondary/results_true.dat
 create mode 100644 tests/regression_tests/mg_fixed_source_ww_fission_shared_secondary/test.py
 create mode 100644 tests/regression_tests/particle_production_fission/__init__.py
 create mode 100644 tests/regression_tests/particle_production_fission/local/inputs_true.dat
 create mode 100644 tests/regression_tests/particle_production_fission/local/results_true.dat
 create mode 100644 tests/regression_tests/particle_production_fission/shared/inputs_true.dat
 create mode 100644 tests/regression_tests/particle_production_fission/shared/results_true.dat
 create mode 100644 tests/regression_tests/particle_production_fission/test.py
 create mode 100644 tests/regression_tests/particle_restart_fixed_shared_secondary/__init__.py
 create mode 100644 tests/regression_tests/particle_restart_fixed_shared_secondary/geometry.xml
 create mode 100644 tests/regression_tests/particle_restart_fixed_shared_secondary/materials.xml
 create mode 100644 tests/regression_tests/particle_restart_fixed_shared_secondary/results_true.dat
 create mode 100644 tests/regression_tests/particle_restart_fixed_shared_secondary/settings.xml
 create mode 100644 tests/regression_tests/particle_restart_fixed_shared_secondary/test.py
 rename tests/regression_tests/pulse_height/{ => local}/inputs_true.dat (95%)
 rename tests/regression_tests/pulse_height/{ => local}/results_true.dat (100%)
 create mode 100644 tests/regression_tests/pulse_height/shared/inputs_true.dat
 create mode 100644 tests/regression_tests/pulse_height/shared/results_true.dat
 create mode 100644 tests/regression_tests/weightwindows/local/inputs_true.dat
 create mode 100644 tests/regression_tests/weightwindows/local/results_true.dat
 delete mode 100644 tests/regression_tests/weightwindows/results_true.dat
 rename tests/regression_tests/weightwindows/{ => shared}/inputs_true.dat (99%)
 create mode 100644 tests/regression_tests/weightwindows/shared/results_true.dat
 create mode 100644 tests/regression_tests/weightwindows/survival_biasing/local/inputs_true.dat
 rename tests/regression_tests/weightwindows/survival_biasing/{ => local}/results_true.dat (100%)
 rename tests/regression_tests/weightwindows/survival_biasing/{ => shared}/inputs_true.dat (99%)
 create mode 100644 tests/regression_tests/weightwindows/survival_biasing/shared/results_true.dat
 create mode 100644 tests/regression_tests/weightwindows_pulse_height/__init__.py
 create mode 100644 tests/regression_tests/weightwindows_pulse_height/local/inputs_true.dat
 create mode 100644 tests/regression_tests/weightwindows_pulse_height/local/results_true.dat
 create mode 100644 tests/regression_tests/weightwindows_pulse_height/shared/inputs_true.dat
 create mode 100644 tests/regression_tests/weightwindows_pulse_height/shared/results_true.dat
 create mode 100644 tests/regression_tests/weightwindows_pulse_height/test.py

diff --git a/docs/source/io_formats/settings.rst b/docs/source/io_formats/settings.rst
index f8b064a37..1a436a75e 100644
--- a/docs/source/io_formats/settings.rst
+++ b/docs/source/io_formats/settings.rst
@@ -741,14 +741,16 @@ pseudo-random number generator.
 
   *Default*: 1
 
---------------------
-``<stride>`` Element
---------------------
+-----------------------------------
+``<shared_secondary_bank>`` Element
+-----------------------------------
 
-The ``stride`` element is used to specify how many random numbers are allocated
-for each source particle history.
-
-  *Default*: 152,917
+  The ``shared_secondary_bank`` element indicates whether to use a shared
+  secondary particle bank. When enabled, secondary particles are collected into
+  a global bank, sorted for reproducibility, and load-balanced across MPI ranks
+  between generations. If not specified, the shared secondary bank is enabled
+  automatically for fixed-source simulations with weight windows active, and
+  disabled otherwise.
 
 .. _source_element:
 
@@ -1156,23 +1158,6 @@ based on constraints.
 
    *Default*: 0.05
 
--------------------------
-``<state_point>`` Element
--------------------------
-
-The ``<state_point>`` element indicates at what batches a state point file
-should be written. A state point file can be used to restart a run or to get
-tally results at any batch. The default behavior when using this tag is to
-write out the source bank in the state_point file. This behavior can be
-customized by using the ``<source_point>`` element. This element has the
-following attributes/sub-elements:
-
-  :batches:
-    A list of integers separated by spaces indicating at what batches a state
-    point file should be written.
-
-    *Default*: Last batch only
-
 --------------------------
 ``<source_point>`` Element
 --------------------------
@@ -1222,6 +1207,32 @@ attributes/sub-elements:
 
     *Default*: false
 
+-------------------------
+``<state_point>`` Element
+-------------------------
+
+The ``<state_point>`` element indicates at what batches a state point file
+should be written. A state point file can be used to restart a run or to get
+tally results at any batch. The default behavior when using this tag is to
+write out the source bank in the state_point file. This behavior can be
+customized by using the ``<source_point>`` element. This element has the
+following attributes/sub-elements:
+
+  :batches:
+    A list of integers separated by spaces indicating at what batches a state
+    point file should be written.
+
+    *Default*: Last batch only
+
+--------------------
+``<stride>`` Element
+--------------------
+
+The ``stride`` element is used to specify how many random numbers are allocated
+for each source particle history.
+
+  *Default*: 152,917
+
 ------------------------------
 ``<surf_source_read>`` Element
 ------------------------------
diff --git a/include/openmc/bank.h b/include/openmc/bank.h
index c4e940bc8..6abcdd7f1 100644
--- a/include/openmc/bank.h
+++ b/include/openmc/bank.h
@@ -34,18 +34,24 @@ extern vector<vector<double>> ifp_fission_lifetime_bank;
 
 extern vector<int64_t> progeny_per_particle;
 
+extern SharedArray<SourceSite> shared_secondary_bank_read;
+extern SharedArray<SourceSite> shared_secondary_bank_write;
+
 } // namespace simulation
 
 //==============================================================================
 // Non-member functions
 //==============================================================================
 
-void sort_fission_bank();
+void sort_bank(SharedArray<SourceSite>& bank, bool is_fission_bank);
 
 void free_memory_bank();
 
 void init_fission_bank(int64_t max);
 
+int64_t synchronize_global_secondary_bank(
+  SharedArray<SourceSite>& shared_secondary_bank);
+
 } // namespace openmc
 
 #endif // OPENMC_BANK_H
diff --git a/include/openmc/event.h b/include/openmc/event.h
index 2d215a10e..48a009f2b 100644
--- a/include/openmc/event.h
+++ b/include/openmc/event.h
@@ -112,6 +112,19 @@ void process_collision_events();
 //! \param n_particles The number of particles in the particle buffer
 void process_death_events(int64_t n_particles);
 
+//! Process event queues until all are empty. Each iteration processes the
+//! longest queue first to maximize vectorization efficiency.
+void process_transport_events();
+
+//! Initialize secondary particles from a shared secondary bank for
+//! event-based transport
+//
+//! \param n_particles The number of particles to initialize
+//! \param offset The offset index in the shared secondary bank
+//! \param shared_secondary_bank The shared secondary bank to read from
+void process_init_secondary_events(int64_t n_particles, int64_t offset,
+  const SharedArray<SourceSite>& shared_secondary_bank);
+
 } // namespace openmc
 
 #endif // OPENMC_EVENT_H
diff --git a/include/openmc/particle.h b/include/openmc/particle.h
index e75f3785a..8db9721ba 100644
--- a/include/openmc/particle.h
+++ b/include/openmc/particle.h
@@ -71,7 +71,8 @@ public:
   void event_advance();
   void event_cross_surface();
   void event_collide();
-  void event_revive_from_secondary();
+  void event_revive_from_secondary(const SourceSite& site);
+  void event_check_limit_and_revive();
   void event_death();
 
   //! pulse-height recording
diff --git a/include/openmc/particle_data.h b/include/openmc/particle_data.h
index 5b632bbce..f72948f6e 100644
--- a/include/openmc/particle_data.h
+++ b/include/openmc/particle_data.h
@@ -50,8 +50,11 @@ struct SourceSite {
 
   // Extra attributes that don't show up in source written to file
   int parent_nuclide {-1};
-  int64_t parent_id;
-  int64_t progeny_id;
+  int64_t parent_id {0};
+  int64_t progeny_id {0};
+  double wgt_born {1.0};
+  double wgt_ww_born {-1.0};
+  int64_t n_split {0};
 };
 
 struct CollisionTrackSite {
@@ -533,14 +536,14 @@ private:
   uint64_t seeds_[N_STREAMS];
   int stream_;
 
-  vector<SourceSite> secondary_bank_;
+  vector<SourceSite> local_secondary_bank_;
 
   // Keep track of how many secondary particles were created in the collision
   // and what the starting index is in the secondary bank for this particle
   int n_secondaries_ {0};
   int secondary_bank_index_ {0};
 
-  int64_t current_work_;
+  int64_t current_work_ {0};
 
   vector<double> flux_derivs_;
 
@@ -563,7 +566,9 @@ private:
 
   int n_event_ {0};
 
-  int n_split_ {0};
+  int64_t n_tracks_ {0}; //!< number of tracks in this particle history
+
+  int64_t n_split_ {0};
   double ww_factor_ {0.0};
 
   int64_t n_progeny_ {0};
@@ -693,12 +698,14 @@ public:
   int& stream() { return stream_; }
 
   // secondary particle bank
-  SourceSite& secondary_bank(int i) { return secondary_bank_[i]; }
-  const SourceSite& secondary_bank(int i) const { return secondary_bank_[i]; }
-  decltype(secondary_bank_)& secondary_bank() { return secondary_bank_; }
-  decltype(secondary_bank_) const& secondary_bank() const
+  SourceSite& local_secondary_bank(int i) { return local_secondary_bank_[i]; }
+  const SourceSite& local_secondary_bank(int i) const
   {
-    return secondary_bank_;
+    return local_secondary_bank_[i];
+  }
+  decltype(local_secondary_bank_)& local_secondary_bank()
+  {
+    return local_secondary_bank_;
   }
 
   // Number of secondaries created in a collision
@@ -747,13 +754,16 @@ public:
   int& n_event() { return n_event_; }
 
   // Number of times variance reduction has caused a particle split
-  int n_split() const { return n_split_; }
-  int& n_split() { return n_split_; }
+  int64_t n_split() const { return n_split_; }
+  int64_t& n_split() { return n_split_; }
 
   // Particle-specific factor for on-the-fly weight window adjustment
   double ww_factor() const { return ww_factor_; }
   double& ww_factor() { return ww_factor_; }
 
+  // Number of tracks in this particle history
+  int64_t& n_tracks() { return n_tracks_; }
+
   // Number of progeny produced by this particle
   int64_t& n_progeny() { return n_progeny_; }
 
diff --git a/include/openmc/settings.h b/include/openmc/settings.h
index 0914a0958..3bba040f5 100644
--- a/include/openmc/settings.h
+++ b/include/openmc/settings.h
@@ -98,7 +98,8 @@ extern bool uniform_source_sampling; //!< sample sources uniformly?
 extern bool ufs_on;                  //!< uniform fission site method on?
 extern bool urr_ptables_on;          //!< use unresolved resonance prob. tables?
 extern bool use_decay_photons;       //!< use decay photons for D1S
-extern "C" bool weight_windows_on;   //!< are weight windows are enabled?
+extern bool use_shared_secondary_bank; //!< Use shared bank for secondaries
+extern "C" bool weight_windows_on;     //!< are weight windows are enabled?
 extern bool weight_window_checkpoint_surface;   //!< enable weight window check
                                                 //!< upon surface crossing?
 extern bool weight_window_checkpoint_collision; //!< enable weight window check
diff --git a/include/openmc/shared_array.h b/include/openmc/shared_array.h
index 7e9ef28c5..b309ca3f1 100644
--- a/include/openmc/shared_array.h
+++ b/include/openmc/shared_array.h
@@ -4,6 +4,8 @@
 //! \file shared_array.h
 //! \brief Shared array data structure
 
+#include <algorithm> // for copy_n
+
 #include "openmc/memory.h"
 
 namespace openmc {
@@ -30,14 +32,12 @@ public:
   //! Default constructor.
   SharedArray() = default;
 
-  //! Construct a zero size container with space to hold capacity number of
-  //! elements.
+  //! Construct a container with `size` elements and capacity equal to `size`.
   //
-  //! \param capacity The number of elements for the container to allocate
-  //! space for
-  SharedArray(int64_t capacity) : capacity_(capacity)
+  //! \param size The number of elements to allocate and initialize
+  SharedArray(int64_t size) : size_(size), capacity_(size)
   {
-    data_ = make_unique<T[]>(capacity);
+    data_ = make_unique<T[]>(size);
   }
 
   //==========================================================================
@@ -97,8 +97,26 @@ public:
     capacity_ = 0;
   }
 
+  //! Push back an element to the array, with capacity and reallocation behavior
+  //! as if this were a vector. This does not perform any thread safety checks.
+  //! If the size exceeds the capacity, then the capacity will double just as
+  //! with a vector. Data will be reallocated and moved to a new pointer and
+  //! copied in before the new item is appended. Old data will be freed.
+  void thread_unsafe_append(const T& value)
+  {
+    if (size_ == capacity_) {
+      int64_t new_capacity = capacity_ == 0 ? 8 : 2 * capacity_;
+      unique_ptr<T[]> new_data = make_unique<T[]>(new_capacity);
+      std::copy_n(data_.get(), size_, new_data.get());
+      data_ = std::move(new_data);
+      capacity_ = new_capacity;
+    }
+    data_[size_++] = value;
+  }
+
   //! Return the number of elements in the container
   int64_t size() { return size_; }
+  int64_t size() const { return size_; }
 
   //! Resize the container to contain a specified number of elements. This is
   //! useful in cases where the container is written to in a non-thread safe
diff --git a/include/openmc/simulation.h b/include/openmc/simulation.h
index 9a6cf1b21..454752cd2 100644
--- a/include/openmc/simulation.h
+++ b/include/openmc/simulation.h
@@ -49,6 +49,9 @@ extern const RegularMesh* ufs_mesh;
 extern vector<double> k_generation;
 extern vector<int64_t> work_index;
 
+extern int64_t
+  simulation_tracks_completed; //!< Number of tracks completed on this rank
+
 } // namespace simulation
 
 //==============================================================================
@@ -59,7 +62,7 @@ extern vector<int64_t> work_index;
 void allocate_banks();
 
 //! Determine number of particles to transport per process
-void calculate_work();
+void calculate_work(int64_t n_particles);
 
 //! Initialize nuclear data before a simulation
 void initialize_data();
@@ -70,8 +73,9 @@ void initialize_batch();
 //! Initialize a fission generation
 void initialize_generation();
 
-//! Full initialization of a particle history
-void initialize_history(Particle& p, int64_t index_source);
+//! Full initialization of a particle track
+void initialize_particle_track(
+  Particle& p, int64_t index_source, bool is_secondary);
 
 //! Finalize a batch
 //!
@@ -92,16 +96,35 @@ void broadcast_results();
 
 void free_memory_simulation();
 
-//! Simulate a single particle history (and all generated secondary particles,
-//!  if enabled), from birth to death
+//! Compute unique particle ID from a 1-based source index
+//! \param index_source 1-based source index within this rank's work
+//! \return globally unique particle ID
+int64_t compute_particle_id(int64_t index_source);
+
+//! Compute the transport RNG seed from a particle ID
+//! \param particle_id the particle's globally unique ID
+//! \return seed value passed to init_particle_seeds()
+int64_t compute_transport_seed(int64_t particle_id);
+
+//! Simulate a single particle history from birth to death, inclusive of any
+//! secondary particles. In shared secondary mode, only a single track is
+//! transported and secondaries are deposited into a shared bank instead.
 void transport_history_based_single_particle(Particle& p);
 
 //! Simulate all particle histories using history-based parallelism
 void transport_history_based();
 
+//! Simulate all particles using history-based parallelism, with a shared
+//! secondary bank
+void transport_history_based_shared_secondary();
+
 //! Simulate all particle histories using event-based parallelism
 void transport_event_based();
 
+//! Simulate all particles using event-based parallelism, with a shared
+//! secondary bank
+void transport_event_based_shared_secondary();
+
 } // namespace openmc
 
 #endif // OPENMC_SIMULATION_H
diff --git a/openmc/lib/core.py b/openmc/lib/core.py
index 00876db99..0ee8c3ff0 100644
--- a/openmc/lib/core.py
+++ b/openmc/lib/core.py
@@ -31,7 +31,10 @@ class _SourceSite(Structure):
                 ('particle', c_int32),
                 ('parent_nuclide', c_int),
                 ('parent_id', c_int64),
-                ('progeny_id', c_int64)]
+                ('progeny_id', c_int64),
+                ('wgt_born', c_double),
+                ('wgt_ww_born', c_double),
+                ('n_split', c_int64)]
 
 # Define input type for numpy arrays that will be passed into C++ functions
 # Must be an int or double array, with single dimension that is contiguous
diff --git a/openmc/settings.py b/openmc/settings.py
index 1090babda..8120eb073 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -67,6 +67,10 @@ class Settings:
                     (ex: ["(n,fission)", 2, "(n,2n)"] ). (list of str or int)
         :deposited_E_threshold: Number to define the minimum deposited energy during
                      per collision to trigger banking. (float)
+    create_delayed_neutrons : bool
+        Whether delayed neutrons are created in fission.
+
+        .. versionadded:: 0.13.3
     create_fission_neutrons : bool
         Indicate whether fission neutrons should be created or not.
     cutoff : dict
@@ -256,8 +260,15 @@ class Settings:
         The type of calculation to perform (default is 'eigenvalue')
     seed : int
         Seed for the linear congruential pseudorandom number generator
-    stride : int
-        Number of random numbers allocated for each source particle history
+    shared_secondary_bank : bool
+        Whether to use a shared secondary particle bank. When enabled,
+        secondary particles are collected into a global bank, sorted for
+        reproducibility, and load-balanced across MPI ranks between
+        generations. If not specified, the shared secondary bank is
+        enabled automatically for fixed-source simulations with weight
+        windows active, and disabled otherwise.
+
+        .. versionadded:: 0.15.4
     source : Iterable of openmc.SourceBase
         Distribution of source sites in space, angle, and energy
     source_rejection_fraction : float
@@ -277,6 +288,8 @@ class Settings:
         Options for writing state points. Acceptable keys are:
 
         :batches: list of batches at which to write statepoint files
+    stride : int
+        Number of random numbers allocated for each source particle history
     surf_source_read : dict
         Options for reading surface source points. Acceptable keys are:
 
@@ -373,10 +386,6 @@ class Settings:
 
         .. versionadded:: 0.14.0
 
-    create_delayed_neutrons : bool
-        Whether delayed neutrons are created in fission.
-
-        .. versionadded:: 0.13.3
     weight_windows_on : bool
         Whether weight windows are enabled
 
@@ -482,6 +491,7 @@ class Settings:
         self._weight_window_generators = cv.CheckedList(
             WeightWindowGenerator, 'weight window generators')
         self._weight_windows_on = None
+        self._shared_secondary_bank = None
         self._weight_windows_file = None
         self._weight_window_checkpoints = {}
         self._max_history_splits = None
@@ -1306,6 +1316,15 @@ class Settings:
         cv.check_type('weight windows on', value, bool)
         self._weight_windows_on = value
 
+    @property
+    def shared_secondary_bank(self) -> bool:
+        return self._shared_secondary_bank
+
+    @shared_secondary_bank.setter
+    def shared_secondary_bank(self, value: bool):
+        cv.check_type('shared secondary bank', value, bool)
+        self._shared_secondary_bank = value
+
     @property
     def weight_window_checkpoints(self) -> dict:
         return self._weight_window_checkpoints
@@ -1924,6 +1943,11 @@ class Settings:
             elem = ET.SubElement(root, "weight_windows_on")
             elem.text = str(self._weight_windows_on).lower()
 
+    def _create_shared_secondary_bank_subelement(self, root):
+        if self._shared_secondary_bank is not None:
+            elem = ET.SubElement(root, "shared_secondary_bank")
+            elem.text = str(self._shared_secondary_bank).lower()
+
     def _create_weight_window_generators_subelement(self, root, mesh_memo=None):
         if not self.weight_window_generators:
             return
@@ -2430,6 +2454,11 @@ class Settings:
         if text is not None:
             self.weight_windows_on = text in ('true', '1')
 
+    def _shared_secondary_bank_from_xml_element(self, root):
+        text = get_text(root, 'shared_secondary_bank')
+        if text is not None:
+            self.shared_secondary_bank = text in ('true', '1')
+
     def _weight_windows_file_from_xml_element(self, root):
         text = get_text(root, 'weight_windows_file')
         if text is not None:
@@ -2597,6 +2626,7 @@ class Settings:
         self._create_write_initial_source_subelement(element)
         self._create_weight_windows_subelement(element, mesh_memo)
         self._create_weight_windows_on_subelement(element)
+        self._create_shared_secondary_bank_subelement(element)
         self._create_weight_window_generators_subelement(element, mesh_memo)
         self._create_weight_windows_file_element(element)
         self._create_weight_window_checkpoints_subelement(element)
@@ -2714,6 +2744,7 @@ class Settings:
         settings._write_initial_source_from_xml_element(elem)
         settings._weight_windows_from_xml_element(elem, meshes)
         settings._weight_windows_on_from_xml_element(elem)
+        settings._shared_secondary_bank_from_xml_element(elem)
         settings._weight_windows_file_from_xml_element(elem)
         settings._weight_window_generators_from_xml_element(elem, meshes)
         settings._weight_window_checkpoints_from_xml_element(elem)
diff --git a/src/bank.cpp b/src/bank.cpp
index 5afdc2eca..5b12b48fd 100644
--- a/src/bank.cpp
+++ b/src/bank.cpp
@@ -7,6 +7,7 @@
 #include "openmc/vector.h"
 
 #include <cstdint>
+#include <limits>
 #include <numeric>
 
 namespace openmc {
@@ -43,6 +44,13 @@ vector<vector<double>> ifp_fission_lifetime_bank;
 // used to efficiently sort the fission bank after each iteration.
 vector<int64_t> progeny_per_particle;
 
+// When shared secondary bank mode is enabled, secondaries produced during
+// transport are collected in the write bank. When a secondary generation is
+// complete, write is moved to read for transport, and a new empty write bank
+// is created. This repeats until no secondaries remain.
+SharedArray<SourceSite> shared_secondary_bank_read;
+SharedArray<SourceSite> shared_secondary_bank_write;
+
 } // namespace simulation
 
 //==============================================================================
@@ -60,6 +68,8 @@ void free_memory_bank()
   simulation::ifp_source_lifetime_bank.clear();
   simulation::ifp_fission_delayed_group_bank.clear();
   simulation::ifp_fission_lifetime_bank.clear();
+  simulation::shared_secondary_bank_read.clear();
+  simulation::shared_secondary_bank_write.clear();
 }
 
 void init_fission_bank(int64_t max)
@@ -68,13 +78,13 @@ void init_fission_bank(int64_t max)
   simulation::progeny_per_particle.resize(simulation::work_per_rank);
 }
 
-// Performs an O(n) sort on the fission bank, by leveraging
+// Performs an O(n) sort on a fission or secondary bank, by leveraging
 // the parent_id and progeny_id fields of banked particles. See the following
 // paper for more details:
 // "Reproducibility and Monte Carlo Eigenvalue Calculations," F.B. Brown and
 // T.M. Sutton, 1992 ANS Annual Meeting, Transactions of the American Nuclear
 // Society, Volume 65, Page 235.
-void sort_fission_bank()
+void sort_bank(SharedArray<SourceSite>& bank, bool is_fission_bank)
 {
   // Ensure we don't read off the end of the array if we ran with 0 particles
   if (simulation::progeny_per_particle.size() == 0) {
@@ -96,44 +106,200 @@ void sort_fission_bank()
   vector<vector<double>> sorted_ifp_lifetime_bank;
 
   // If there is not enough space, allocate a temporary vector and point to it
-  if (simulation::fission_bank.size() >
-      simulation::fission_bank.capacity() / 2) {
-    sorted_bank_holder.resize(simulation::fission_bank.size());
+  if (bank.size() > bank.capacity() / 2) {
+    sorted_bank_holder.resize(bank.size());
     sorted_bank = sorted_bank_holder.data();
   } else { // otherwise, point sorted_bank to unused portion of the fission bank
-    sorted_bank = &simulation::fission_bank[simulation::fission_bank.size()];
+    sorted_bank = bank.data() + bank.size();
   }
 
-  if (settings::ifp_on) {
+  if (settings::ifp_on && is_fission_bank) {
     allocate_temporary_vector_ifp(
       sorted_ifp_delayed_group_bank, sorted_ifp_lifetime_bank);
   }
 
-  // Use parent and progeny indices to sort fission bank
-  for (int64_t i = 0; i < simulation::fission_bank.size(); i++) {
-    const auto& site = simulation::fission_bank[i];
-    int64_t offset = site.parent_id - 1 - simulation::work_index[mpi::rank];
-    int64_t idx = simulation::progeny_per_particle[offset] + site.progeny_id;
-    if (idx >= simulation::fission_bank.size()) {
+  // Use parent and progeny indices to sort bank
+  for (int64_t i = 0; i < bank.size(); i++) {
+    const auto& site = bank[i];
+    if (site.parent_id < 0 ||
+        site.parent_id >=
+          static_cast<int64_t>(simulation::progeny_per_particle.size())) {
+      fatal_error(fmt::format("Invalid parent_id {} for banked site (expected "
+                              "range [0, {})).",
+        site.parent_id, simulation::progeny_per_particle.size()));
+    }
+    int64_t idx =
+      simulation::progeny_per_particle[site.parent_id] + site.progeny_id;
+    if (idx < 0 || idx >= bank.size()) {
       fatal_error("Mismatch detected between sum of all particle progeny and "
-                  "shared fission bank size.");
+                  "bank size during sorting.");
     }
     sorted_bank[idx] = site;
-    if (settings::ifp_on) {
+    if (settings::ifp_on && is_fission_bank) {
       copy_ifp_data_from_fission_banks(
         i, sorted_ifp_delayed_group_bank[idx], sorted_ifp_lifetime_bank[idx]);
     }
   }
 
   // Copy sorted bank into the fission bank
-  std::copy(sorted_bank, sorted_bank + simulation::fission_bank.size(),
-    simulation::fission_bank.data());
-  if (settings::ifp_on) {
+  std::copy(sorted_bank, sorted_bank + bank.size(), bank.data());
+  if (settings::ifp_on && is_fission_bank) {
     copy_ifp_data_to_fission_banks(
       sorted_ifp_delayed_group_bank.data(), sorted_ifp_lifetime_bank.data());
   }
 }
 
+// This function redistributes SourceSite particles across MPI ranks to
+// achieve load balancing while preserving the global ordering of particles.
+//
+// GUARANTEES:
+// -----------
+// 1. Global Order Preservation: After redistribution, each rank holds a
+//    contiguous slice of the original global ordering. For example, if the
+//    input across 3 ranks was:
+//      - Rank 0: IDs 0-4
+//      - Rank 1: IDs 5-6
+//      - Rank 2: IDs 7-200
+//    Then after redistribution (assuming ~67 particles per rank):
+//      - Rank 0: IDs 0-66   (contiguous)
+//      - Rank 1: IDs 67-133 (contiguous)
+//      - Rank 2: IDs 134-200 (contiguous)
+//    The global ordering is always preserved - no rank will ever hold
+//    non-contiguous ID ranges like "0-4 and 100-200".
+//
+// 2. Even Load Balancing: Particles are distributed as evenly as possible.
+//    If total % n_procs != 0, the first 'remainder' ranks each get one extra
+//    particle (i.e., floor division with remainder distributed to lower
+//    ranks). This follows the same logic as calculate_work().
+//
+// HOW IT WORKS:
+// -------------
+// The algorithm uses overlap-based redistribution:
+// 1. Each rank's current data occupies a range [cumulative_before[rank],
+//    cumulative_before[rank+1]) in the global index space.
+// 2. Each rank's target data should occupy [cumulative_target[rank],
+//    cumulative_target[rank+1]) in the same global index space.
+// 3. For each pair of (source_rank, dest_rank), we calculate the overlap
+//    between what source_rank currently has and what dest_rank needs.
+// 4. MPI_Alltoallv transfers exactly these overlapping regions, with
+//    displacements ensuring data lands at the correct position in the
+//    receiving buffer.
+//
+// EDGE CASES HANDLED:
+// -------------------
+// - Single rank (n_procs == 1): Returns immediately with local size, no MPI.
+// - Empty total (all ranks have 0 particles): Returns 0 immediately.
+// - Imbalanced input (e.g., one rank has all particles): Works correctly;
+//   that rank will send portions to all other ranks based on target ranges.
+// - Non-divisible totals: First 'remainder' ranks get one extra particle.
+int64_t synchronize_global_secondary_bank(
+  SharedArray<SourceSite>& shared_secondary_bank)
+{
+  // Get current size of local bank
+  int64_t local_size = shared_secondary_bank.size();
+
+  if (mpi::n_procs == 1) {
+    return local_size;
+  }
+
+#ifdef OPENMC_MPI
+  // Gather all sizes to all ranks
+  vector<int64_t> all_sizes(mpi::n_procs);
+  MPI_Allgather(&local_size, 1, MPI_INT64_T, all_sizes.data(), 1, MPI_INT64_T,
+    mpi::intracomm);
+
+  // Calculate total and check for empty case
+  int64_t total = 0;
+  for (int64_t size : all_sizes) {
+    total += size;
+  }
+
+  // If we don't have any items to distribute, return
+  if (total == 0) {
+    return total;
+  }
+
+  int64_t base_count = total / mpi::n_procs;
+  int64_t remainder = total % mpi::n_procs;
+
+  // Calculate target size for each rank
+  // First 'remainder' ranks get base_count + 1, rest get base_count
+  vector<int64_t> target_sizes(mpi::n_procs);
+  for (int i = 0; i < mpi::n_procs; ++i) {
+    target_sizes[i] = base_count + (i < remainder ? 1 : 0);
+  }
+
+  // Calculate send and receive counts in terms of SourceSite objects
+  // (not bytes)
+  vector<int> send_counts(mpi::n_procs, 0);
+  vector<int> recv_counts(mpi::n_procs, 0);
+  vector<int> send_displs(mpi::n_procs, 0);
+  vector<int> recv_displs(mpi::n_procs, 0);
+
+  // Calculate cumulative positions (starting index for each rank in the
+  // global array)
+  vector<int64_t> cumulative_before(mpi::n_procs + 1, 0);
+  vector<int64_t> cumulative_target(mpi::n_procs + 1, 0);
+  for (int i = 0; i < mpi::n_procs; ++i) {
+    cumulative_before[i + 1] = cumulative_before[i] + all_sizes[i];
+    cumulative_target[i + 1] = cumulative_target[i] + target_sizes[i];
+  }
+
+  // Determine send and receive amounts for each rank
+  int64_t my_start = cumulative_before[mpi::rank];
+  int64_t my_end = cumulative_before[mpi::rank + 1];
+  int64_t my_target_start = cumulative_target[mpi::rank];
+  int64_t my_target_end = cumulative_target[mpi::rank + 1];
+
+  for (int r = 0; r < mpi::n_procs; ++r) {
+    // Send: overlap between my current range and rank r's target range
+    int64_t send_overlap_start = std::max(my_start, cumulative_target[r]);
+    int64_t send_overlap_end = std::min(my_end, cumulative_target[r + 1]);
+    if (send_overlap_start < send_overlap_end) {
+      int64_t count = send_overlap_end - send_overlap_start;
+      int64_t displ = send_overlap_start - my_start;
+      if (count > std::numeric_limits<int>::max() ||
+          displ > std::numeric_limits<int>::max()) {
+        fatal_error("Secondary bank size exceeds MPI_Alltoallv int limit.");
+      }
+      send_counts[r] = static_cast<int>(count);
+      send_displs[r] = static_cast<int>(displ);
+    }
+
+    // Recv: overlap between rank r's current range and my target range
+    int64_t recv_overlap_start =
+      std::max(cumulative_before[r], my_target_start);
+    int64_t recv_overlap_end =
+      std::min(cumulative_before[r + 1], my_target_end);
+    if (recv_overlap_start < recv_overlap_end) {
+      int64_t count = recv_overlap_end - recv_overlap_start;
+      int64_t displ = recv_overlap_start - my_target_start;
+      if (count > std::numeric_limits<int>::max() ||
+          displ > std::numeric_limits<int>::max()) {
+        fatal_error("Secondary bank size exceeds MPI_Alltoallv int limit.");
+      }
+      recv_counts[r] = static_cast<int>(count);
+      recv_displs[r] = static_cast<int>(displ);
+    }
+  }
+
+  // Prepare receive buffer with target size
+  SharedArray<SourceSite> new_bank(target_sizes[mpi::rank]);
+
+  // Perform all-to-all redistribution using the custom MPI type
+  MPI_Alltoallv(shared_secondary_bank.data(), send_counts.data(),
+    send_displs.data(), mpi::source_site, new_bank.data(), recv_counts.data(),
+    recv_displs.data(), mpi::source_site, mpi::intracomm);
+
+  // Replace old bank with redistributed data
+  shared_secondary_bank = std::move(new_bank);
+
+  return total;
+#else
+  return local_size;
+#endif
+}
+
 //==============================================================================
 // C API
 //==============================================================================
diff --git a/src/event.cpp b/src/event.cpp
index f33e132d0..2d436bb9d 100644
--- a/src/event.cpp
+++ b/src/event.cpp
@@ -1,6 +1,9 @@
 #include "openmc/event.h"
 
+#include "openmc/bank.h"
+#include "openmc/error.h"
 #include "openmc/material.h"
+#include "openmc/settings.h"
 #include "openmc/simulation.h"
 #include "openmc/timer.h"
 
@@ -64,7 +67,8 @@ void process_init_events(int64_t n_particles, int64_t source_offset)
   simulation::time_event_init.start();
 #pragma omp parallel for schedule(runtime)
   for (int64_t i = 0; i < n_particles; i++) {
-    initialize_history(simulation::particles[i], source_offset + i + 1);
+    initialize_particle_track(
+      simulation::particles[i], source_offset + i + 1, false);
     dispatch_xs_event(i);
   }
   simulation::time_event_init.stop();
@@ -136,7 +140,7 @@ void process_surface_crossing_events()
     int64_t buffer_idx = simulation::surface_crossing_queue[i].idx;
     Particle& p = simulation::particles[buffer_idx];
     p.event_cross_surface();
-    p.event_revive_from_secondary();
+    p.event_check_limit_and_revive();
     if (p.alive())
       dispatch_xs_event(buffer_idx);
   }
@@ -155,7 +159,7 @@ void process_collision_events()
     int64_t buffer_idx = simulation::collision_queue[i].idx;
     Particle& p = simulation::particles[buffer_idx];
     p.event_collide();
-    p.event_revive_from_secondary();
+    p.event_check_limit_and_revive();
     if (p.alive())
       dispatch_xs_event(buffer_idx);
   }
@@ -176,4 +180,45 @@ void process_death_events(int64_t n_particles)
   simulation::time_event_death.stop();
 }
 
+void process_transport_events()
+{
+  while (true) {
+    int64_t max = std::max({simulation::calculate_fuel_xs_queue.size(),
+      simulation::calculate_nonfuel_xs_queue.size(),
+      simulation::advance_particle_queue.size(),
+      simulation::surface_crossing_queue.size(),
+      simulation::collision_queue.size()});
+
+    if (max == 0) {
+      break;
+    } else if (max == simulation::calculate_fuel_xs_queue.size()) {
+      process_calculate_xs_events(simulation::calculate_fuel_xs_queue);
+    } else if (max == simulation::calculate_nonfuel_xs_queue.size()) {
+      process_calculate_xs_events(simulation::calculate_nonfuel_xs_queue);
+    } else if (max == simulation::advance_particle_queue.size()) {
+      process_advance_particle_events();
+    } else if (max == simulation::surface_crossing_queue.size()) {
+      process_surface_crossing_events();
+    } else if (max == simulation::collision_queue.size()) {
+      process_collision_events();
+    }
+  }
+}
+
+void process_init_secondary_events(int64_t n_particles, int64_t offset,
+  const SharedArray<SourceSite>& shared_secondary_bank)
+{
+  simulation::time_event_init.start();
+#pragma omp parallel for schedule(runtime)
+  for (int64_t i = 0; i < n_particles; i++) {
+    initialize_particle_track(simulation::particles[i], offset + i + 1, true);
+    const SourceSite& site = shared_secondary_bank[offset + i];
+    simulation::particles[i].event_revive_from_secondary(site);
+    if (simulation::particles[i].alive()) {
+      dispatch_xs_event(i);
+    }
+  }
+  simulation::time_event_init.stop();
+}
+
 } // namespace openmc
diff --git a/src/finalize.cpp b/src/finalize.cpp
index 59711dcc3..fd891d9dd 100644
--- a/src/finalize.cpp
+++ b/src/finalize.cpp
@@ -149,6 +149,8 @@ int openmc_finalize()
   settings::uniform_source_sampling = false;
   settings::ufs_on = false;
   settings::urr_ptables_on = true;
+  settings::use_decay_photons = false;
+  settings::use_shared_secondary_bank = false;
   settings::verbosity = -1;
   settings::weight_cutoff = 0.25;
   settings::weight_survive = 1.0;
@@ -219,6 +221,7 @@ int openmc_reset()
   settings::cmfd_run = false;
 
   simulation::n_lost_particles = 0;
+  simulation::simulation_tracks_completed = 0;
 
   return 0;
 }
diff --git a/src/ifp.cpp b/src/ifp.cpp
index a5157440d..f0f98b8ef 100644
--- a/src/ifp.cpp
+++ b/src/ifp.cpp
@@ -32,13 +32,13 @@ void ifp(const Particle& p, int64_t idx)
 {
   if (is_beta_effective_or_both()) {
     const auto& delayed_groups =
-      simulation::ifp_source_delayed_group_bank[p.current_work() - 1];
+      simulation::ifp_source_delayed_group_bank[p.current_work()];
     simulation::ifp_fission_delayed_group_bank[idx] =
       _ifp(p.delayed_group(), delayed_groups);
   }
   if (is_generation_time_or_both()) {
     const auto& lifetimes =
-      simulation::ifp_source_lifetime_bank[p.current_work() - 1];
+      simulation::ifp_source_lifetime_bank[p.current_work()];
     simulation::ifp_fission_lifetime_bank[idx] = _ifp(p.lifetime(), lifetimes);
   }
 }
diff --git a/src/initialize.cpp b/src/initialize.cpp
index c04a2fcbd..78b414f78 100644
--- a/src/initialize.cpp
+++ b/src/initialize.cpp
@@ -161,7 +161,7 @@ void initialize_mpi(MPI_Comm intracomm)
 
   // Create bank datatype
   SourceSite b;
-  MPI_Aint disp[11];
+  MPI_Aint disp[14];
   MPI_Get_address(&b.r, &disp[0]);
   MPI_Get_address(&b.u, &disp[1]);
   MPI_Get_address(&b.E, &disp[2]);
@@ -173,14 +173,35 @@ void initialize_mpi(MPI_Comm intracomm)
   MPI_Get_address(&b.parent_nuclide, &disp[8]);
   MPI_Get_address(&b.parent_id, &disp[9]);
   MPI_Get_address(&b.progeny_id, &disp[10]);
-  for (int i = 10; i >= 0; --i) {
+  MPI_Get_address(&b.wgt_born, &disp[11]);
+  MPI_Get_address(&b.wgt_ww_born, &disp[12]);
+  MPI_Get_address(&b.n_split, &disp[13]);
+  for (int i = 13; i >= 0; --i) {
     disp[i] -= disp[0];
   }
 
-  int blocks[] {3, 3, 1, 1, 1, 1, 1, 1, 1, 1, 1};
-  MPI_Datatype types[] {MPI_DOUBLE, MPI_DOUBLE, MPI_DOUBLE, MPI_DOUBLE,
-    MPI_DOUBLE, MPI_INT, MPI_INT, MPI_INT, MPI_INT, MPI_LONG, MPI_LONG};
-  MPI_Type_create_struct(11, blocks, disp, types, &mpi::source_site);
+  // Block counts for each field
+  int blocks[] = {3, 3, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1};
+
+  // Types for each field
+  MPI_Datatype types[] = {
+    MPI_DOUBLE,  // r (3 doubles)
+    MPI_DOUBLE,  // u (3 doubles)
+    MPI_DOUBLE,  // E
+    MPI_DOUBLE,  // time
+    MPI_DOUBLE,  // wgt
+    MPI_INT,     // delayed_group
+    MPI_INT,     // surf_id
+    MPI_INT,     // particle (enum)
+    MPI_INT,     // parent_nuclide
+    MPI_INT64_T, // parent_id
+    MPI_INT64_T, // progeny_id
+    MPI_DOUBLE,  // wgt_born
+    MPI_DOUBLE,  // wgt_ww_born
+    MPI_INT64_T  // n_split
+  };
+
+  MPI_Type_create_struct(14, blocks, disp, types, &mpi::source_site);
   MPI_Type_commit(&mpi::source_site);
 
   CollisionTrackSite bc;
@@ -366,6 +387,28 @@ int parse_command_line(int argc, char* argv[])
   return 0;
 }
 
+// TODO: Pulse-height tallies require per-history scoring across the full
+// particle tree (parent + all descendants). The shared secondary bank
+// transports each secondary as an independent Particle, breaking this
+// assumption. A proper fix would defer pulse-height scoring: save
+// (root_source_id, cell, pht_storage) per particle, then aggregate by
+// root_source_id after all secondary generations complete before scoring
+// into the histogram. For now, disable shared secondary when pulse-height
+// tallies are present.
+static void check_pulse_height_compatibility()
+{
+  if (settings::use_shared_secondary_bank) {
+    for (const auto& t : model::tallies) {
+      if (t->type_ == TallyType::PULSE_HEIGHT) {
+        settings::use_shared_secondary_bank = false;
+        warning("Pulse-height tallies are not yet compatible with the shared "
+                "secondary bank. Disabling shared secondary bank.");
+        break;
+      }
+    }
+  }
+}
+
 bool read_model_xml()
 {
   std::string model_filename = settings::path_input;
@@ -460,6 +503,8 @@ bool read_model_xml()
   if (check_for_node(root, "tallies"))
     read_tallies_xml(root.child("tallies"));
 
+  check_pulse_height_compatibility();
+
   // Initialize distribcell_filters
   prepare_distribcell();
 
@@ -505,6 +550,8 @@ void read_separate_xml_files()
 
   read_tallies_xml();
 
+  check_pulse_height_compatibility();
+
   // Initialize distribcell_filters
   prepare_distribcell();
 
diff --git a/src/output.cpp b/src/output.cpp
index f8c0f2a97..725e8d069 100644
--- a/src/output.cpp
+++ b/src/output.cpp
@@ -501,6 +501,14 @@ void print_runtime()
     show_rate("Calculation Rate (inactive)", speed_inactive);
   }
   show_rate("Calculation Rate (active)", speed_active);
+
+  // Display track rate when weight windows are enabled
+  if (settings::weight_windows_on) {
+    double speed_tracks =
+      simulation::simulation_tracks_completed / time_active.elapsed();
+    fmt::print(
+      " {:<33} = {:.6} tracks/second\n", "Track Rate (active)", speed_tracks);
+  }
 }
 
 //==============================================================================
diff --git a/src/particle.cpp b/src/particle.cpp
index 46df63cd1..779ae18da 100644
--- a/src/particle.cpp
+++ b/src/particle.cpp
@@ -94,7 +94,7 @@ bool Particle::create_secondary(
   // Increment number of secondaries created (for ParticleProductionFilter)
   n_secondaries()++;
 
-  auto& bank = secondary_bank().emplace_back();
+  SourceSite bank;
   bank.particle = type;
   bank.wgt = wgt;
   bank.r = r();
@@ -102,12 +102,21 @@ bool Particle::create_secondary(
   bank.E = settings::run_CE ? E : g();
   bank.time = time();
   bank_second_E() += bank.E;
+  bank.parent_id = current_work();
+  if (settings::use_shared_secondary_bank) {
+    bank.progeny_id = n_progeny()++;
+  }
+  bank.wgt_born = wgt_born();
+  bank.wgt_ww_born = wgt_ww_born();
+  bank.n_split = n_split();
+
+  local_secondary_bank().emplace_back(bank);
   return true;
 }
 
 void Particle::split(double wgt)
 {
-  auto& bank = secondary_bank().emplace_back();
+  SourceSite bank;
   bank.particle = type();
   bank.wgt = wgt;
   bank.r = r();
@@ -122,6 +131,16 @@ void Particle::split(double wgt)
     int surf_id = model::surfaces[surface_index()]->id_;
     bank.surf_id = (surface() > 0) ? surf_id : -surf_id;
   }
+
+  bank.wgt_born = wgt_born();
+  bank.wgt_ww_born = wgt_ww_born();
+  bank.n_split = n_split();
+  bank.parent_id = current_work();
+  if (settings::use_shared_secondary_bank) {
+    bank.progeny_id = n_progeny()++;
+  }
+
+  local_secondary_bank().emplace_back(bank);
 }
 
 void Particle::from_source(const SourceSite* src)
@@ -168,6 +187,10 @@ void Particle::from_source(const SourceSite* src)
     int index_plus_one = model::surface_map[std::abs(src->surf_id)] + 1;
     surface() = (src->surf_id > 0) ? index_plus_one : -index_plus_one;
   }
+
+  wgt_born() = src->wgt_born;
+  wgt_ww_born() = src->wgt_ww_born;
+  n_split() = src->n_split;
 }
 
 void Particle::event_calculate_xs()
@@ -449,61 +472,72 @@ void Particle::event_collide()
 #endif
 }
 
-void Particle::event_revive_from_secondary()
+void Particle::event_revive_from_secondary(const SourceSite& site)
+{
+  // Write final position for the previous track (skip if this is a freshly
+  // constructed particle with no prior track, e.g., Phase 2 of shared
+  // secondary transport)
+  if (write_track() && n_event() > 0) {
+    write_particle_track(*this);
+  }
+
+  from_source(&site);
+
+  n_event() = 0;
+  if (!settings::use_shared_secondary_bank) {
+    n_tracks()++;
+  }
+  bank_second_E() = 0.0;
+
+  // Subtract secondary particle energy from interim pulse-height results.
+  // In shared secondary mode, this subtraction was already done on the parent
+  // particle during create_secondary(), so skip it here.
+  if (!settings::use_shared_secondary_bank &&
+      !model::active_pulse_height_tallies.empty() && this->type().is_photon()) {
+    // Since the birth cell of the particle has not been set we
+    // have to determine it before the energy of the secondary particle can be
+    // removed from the pulse-height of this cell.
+    if (lowest_coord().cell() == C_NONE) {
+      bool verbose = settings::verbosity >= 10 || trace();
+      if (!exhaustive_find_cell(*this, verbose)) {
+        mark_as_lost("Could not find the cell containing particle " +
+                     std::to_string(id()));
+        return;
+      }
+      // Set birth cell attribute
+      if (cell_born() == C_NONE)
+        cell_born() = lowest_coord().cell();
+
+      // Initialize last cells from current cell
+      for (int j = 0; j < n_coord(); ++j) {
+        cell_last(j) = coord(j).cell();
+      }
+      n_coord_last() = n_coord();
+    }
+    pht_secondary_particles();
+  }
+
+  // Enter new particle in particle track file
+  if (write_track())
+    add_particle_track(*this);
+}
+
+void Particle::event_check_limit_and_revive()
 {
   // If particle has too many events, display warning and kill it
-  ++n_event();
+  n_event()++;
   if (n_event() == settings::max_particle_events) {
     warning("Particle " + std::to_string(id()) +
             " underwent maximum number of events.");
     wgt() = 0.0;
   }
 
-  // Check for secondary particles if this particle is dead
-  if (!alive()) {
-    // Write final position for this particle
-    if (write_track()) {
-      write_particle_track(*this);
-    }
-
-    // If no secondary particles, break out of event loop
-    if (secondary_bank().empty())
-      return;
-
-    from_source(&secondary_bank().back());
-    secondary_bank().pop_back();
-    n_event() = 0;
-    bank_second_E() = 0.0;
-
-    // Subtract secondary particle energy from interim pulse-height results
-    if (!model::active_pulse_height_tallies.empty() &&
-        this->type().is_photon()) {
-      // Since the birth cell of the particle has not been set we
-      // have to determine it before the energy of the secondary particle can be
-      // removed from the pulse-height of this cell.
-      if (lowest_coord().cell() == C_NONE) {
-        bool verbose = settings::verbosity >= 10 || trace();
-        if (!exhaustive_find_cell(*this, verbose)) {
-          mark_as_lost("Could not find the cell containing particle " +
-                       std::to_string(id()));
-          return;
-        }
-        // Set birth cell attribute
-        if (cell_born() == C_NONE)
-          cell_born() = lowest_coord().cell();
-
-        // Initialize last cells from current cell
-        for (int j = 0; j < n_coord(); ++j) {
-          cell_last(j) = coord(j).cell();
-        }
-        n_coord_last() = n_coord();
-      }
-      pht_secondary_particles();
-    }
-
-    // Enter new particle in particle track file
-    if (write_track())
-      add_particle_track(*this);
+  // In non-shared-secondary mode, revive from local secondary bank
+  if (!alive() && !settings::use_shared_secondary_bank &&
+      !local_secondary_bank().empty()) {
+    SourceSite& site = local_secondary_bank().back();
+    event_revive_from_secondary(site);
+    local_secondary_bank().pop_back();
   }
 }
 
@@ -515,6 +549,7 @@ void Particle::event_death()
 
   // Finish particle track output.
   if (write_track()) {
+    write_particle_track(*this);
     finalize_particle_track(*this);
   }
 
@@ -538,11 +573,17 @@ void Particle::event_death()
     score_pulse_height_tally(*this, model::active_pulse_height_tallies);
   }
 
+  // Accumulate track count for this particle history
+  if (!settings::use_shared_secondary_bank) {
+#pragma omp atomic
+    simulation::simulation_tracks_completed += n_tracks();
+  }
+
   // Record the number of progeny created by this particle.
   // This data will be used to efficiently sort the fission bank.
-  if (settings::run_mode == RunMode::EIGENVALUE) {
-    int64_t offset = id() - 1 - simulation::work_index[mpi::rank];
-    simulation::progeny_per_particle[offset] = n_progeny();
+  if (settings::run_mode == RunMode::EIGENVALUE ||
+      settings::use_shared_secondary_bank) {
+    simulation::progeny_per_particle[current_work()] = n_progeny();
   }
 }
 
@@ -863,28 +904,27 @@ void Particle::write_restart() const
     write_dataset(file_id, "id", id());
     write_dataset(file_id, "type", type().pdg_number());
 
+    // Get source site data for the particle that got lost
     int64_t i = current_work();
+    SourceSite site;
     if (settings::run_mode == RunMode::EIGENVALUE) {
-      // take source data from primary bank for eigenvalue simulation
-      write_dataset(file_id, "weight", simulation::source_bank[i - 1].wgt);
-      write_dataset(file_id, "energy", simulation::source_bank[i - 1].E);
-      write_dataset(file_id, "xyz", simulation::source_bank[i - 1].r);
-      write_dataset(file_id, "uvw", simulation::source_bank[i - 1].u);
-      write_dataset(file_id, "time", simulation::source_bank[i - 1].time);
+      site = simulation::source_bank[i];
+    } else if (settings::run_mode == RunMode::FIXED_SOURCE &&
+               settings::use_shared_secondary_bank &&
+               i < simulation::shared_secondary_bank_read.size()) {
+      site = simulation::shared_secondary_bank_read[i];
     } else if (settings::run_mode == RunMode::FIXED_SOURCE) {
-      // re-sample using rng random number seed used to generate source particle
-      int64_t id = (simulation::total_gen + overall_generation() - 1) *
-                     settings::n_particles +
-                   simulation::work_index[mpi::rank] + i;
+      // Re-sample using the same seed used to generate the source particle.
+      // current_work() is 0-indexed, compute_particle_id expects 1-indexed.
+      int64_t id = compute_transport_seed(compute_particle_id(i + 1));
       uint64_t seed = init_seed(id, STREAM_SOURCE);
-      // re-sample source site
-      auto site = sample_external_source(&seed);
-      write_dataset(file_id, "weight", site.wgt);
-      write_dataset(file_id, "energy", site.E);
-      write_dataset(file_id, "xyz", site.r);
-      write_dataset(file_id, "uvw", site.u);
-      write_dataset(file_id, "time", site.time);
+      site = sample_external_source(&seed);
     }
+    write_dataset(file_id, "weight", site.wgt);
+    write_dataset(file_id, "energy", site.E);
+    write_dataset(file_id, "xyz", site.r);
+    write_dataset(file_id, "uvw", site.u);
+    write_dataset(file_id, "time", site.time);
 
     // Close file
     file_close(file_id);
diff --git a/src/particle_restart.cpp b/src/particle_restart.cpp
index f02fcb94b..c226d51ec 100644
--- a/src/particle_restart.cpp
+++ b/src/particle_restart.cpp
@@ -1,6 +1,7 @@
 #include "openmc/particle_restart.h"
 
 #include "openmc/array.h"
+#include "openmc/bank.h"
 #include "openmc/constants.h"
 #include "openmc/hdf5_interface.h"
 #include "openmc/mgxs_interface.h"
@@ -106,20 +107,16 @@ void run_particle_restart()
   // Set all tallies to 0 for now (just tracking errors)
   model::tallies.clear();
 
-  // Compute random number seed
-  int64_t particle_seed;
-  switch (previous_run_mode) {
-  case RunMode::EIGENVALUE:
-  case RunMode::FIXED_SOURCE:
-    particle_seed = (simulation::total_gen + overall_generation() - 1) *
-                      settings::n_particles +
-                    p.id();
-    break;
-  default:
-    throw std::runtime_error {
-      "Unexpected run mode: " +
-      std::to_string(static_cast<int>(previous_run_mode))};
+  // Allocate progeny_per_particle if needed for shared secondary mode
+  // (event_death() writes to this array). Set current_work to 0 since we
+  // only have one particle being restarted.
+  if (settings::use_shared_secondary_bank) {
+    p.current_work() = 0;
+    simulation::progeny_per_particle.resize(1, 0);
   }
+
+  // Compute random number seed
+  int64_t particle_seed = compute_transport_seed(p.id());
   init_particle_seeds(particle_seed, p.seeds());
 
   // Force calculation of cross-sections by setting last energy to zero
diff --git a/src/physics.cpp b/src/physics.cpp
index 106bd1aa2..892b39479 100644
--- a/src/physics.cpp
+++ b/src/physics.cpp
@@ -44,7 +44,7 @@ void collision(Particle& p)
 {
   // Add to collision counter for particle
   ++(p.n_collision());
-  p.secondary_bank_index() = p.secondary_bank().size();
+  p.secondary_bank_index() = p.local_secondary_bank().size();
 
   // Sample reaction for the material the particle is in
   switch (p.type().pdg_number()) {
@@ -127,7 +127,8 @@ void sample_neutron_reaction(Particle& p)
 
       // Make sure particle population doesn't grow out of control for
       // subcritical multiplication problems.
-      if (p.secondary_bank().size() >= settings::max_secondaries) {
+      if (p.local_secondary_bank().size() >= settings::max_secondaries &&
+          !settings::use_shared_secondary_bank) {
         fatal_error(
           "The secondary particle bank appears to be growing without "
           "bound. You are likely running a subcritical multiplication problem "
@@ -228,7 +229,7 @@ void create_fission_sites(Particle& p, int i_nuclide, const Reaction& rx)
     }
 
     // Set parent and progeny IDs
-    site.parent_id = p.id();
+    site.parent_id = p.current_work();
     site.progeny_id = p.n_progeny()++;
 
     // Store fission site in bank
@@ -253,7 +254,10 @@ void create_fission_sites(Particle& p, int i_nuclide, const Reaction& rx)
         ifp(p, idx);
       }
     } else {
-      p.secondary_bank().push_back(site);
+      site.wgt_born = p.wgt_born();
+      site.wgt_ww_born = p.wgt_ww_born();
+      site.n_split = p.n_split();
+      p.local_secondary_bank().push_back(site);
       p.n_secondaries()++;
     }
 
@@ -1225,7 +1229,7 @@ void sample_secondary_photons(Particle& p, int i_nuclide)
 
     // Tag secondary particle with parent nuclide
     if (created_photon && settings::use_decay_photons) {
-      p.secondary_bank().back().parent_nuclide =
+      p.local_secondary_bank().back().parent_nuclide =
         rx->products_[i_product].parent_nuclide_;
     }
   }
diff --git a/src/physics_mg.cpp b/src/physics_mg.cpp
index 6991c7365..212ba765c 100644
--- a/src/physics_mg.cpp
+++ b/src/physics_mg.cpp
@@ -27,7 +27,7 @@ void collision_mg(Particle& p)
 {
   // Add to the collision counter for the particle
   p.n_collision()++;
-  p.secondary_bank_index() = p.secondary_bank().size();
+  p.secondary_bank_index() = p.local_secondary_bank().size();
 
   // Sample the reaction type
   sample_reaction(p);
@@ -179,7 +179,7 @@ void create_fission_sites(Particle& p)
     }
 
     // Set parent and progeny ID
-    site.parent_id = p.id();
+    site.parent_id = p.current_work();
     site.progeny_id = p.n_progeny()++;
 
     // Store fission site in bank
@@ -200,7 +200,10 @@ void create_fission_sites(Particle& p)
         break;
       }
     } else {
-      p.secondary_bank().push_back(site);
+      site.wgt_born = p.wgt_born();
+      site.wgt_ww_born = p.wgt_ww_born();
+      site.n_split = p.n_split();
+      p.local_secondary_bank().push_back(site);
       p.n_secondaries()++;
     }
 
diff --git a/src/settings.cpp b/src/settings.cpp
index bb6991da9..8ae252ae1 100644
--- a/src/settings.cpp
+++ b/src/settings.cpp
@@ -83,6 +83,7 @@ bool uniform_source_sampling {false};
 bool ufs_on {false};
 bool urr_ptables_on {true};
 bool use_decay_photons {false};
+bool use_shared_secondary_bank {false};
 bool weight_windows_on {false};
 bool weight_window_checkpoint_surface {false};
 bool weight_window_checkpoint_collision {true};
@@ -1320,6 +1321,27 @@ void read_settings_xml(pugi::xml_node root)
     settings::use_decay_photons =
       get_node_value_bool(root, "use_decay_photons");
   }
+
+  // If weight windows are on, also enable shared secondary bank (unless
+  // explicitly disabled by user).
+  if (check_for_node(root, "shared_secondary_bank")) {
+    bool val = get_node_value_bool(root, "shared_secondary_bank");
+    if (val && run_mode == RunMode::EIGENVALUE) {
+      warning(
+        "Shared secondary bank is not supported in eigenvalue calculations. "
+        "Setting will be ignored.");
+    } else {
+      settings::use_shared_secondary_bank = val;
+    }
+  } else if (settings::weight_windows_on) {
+    if (run_mode == RunMode::EIGENVALUE) {
+      warning(
+        "Shared secondary bank is not supported in eigenvalue calculations. "
+        "Particle local secondary banks will be used instead.");
+    } else if (run_mode == RunMode::FIXED_SOURCE) {
+      settings::use_shared_secondary_bank = true;
+    }
+  }
 }
 
 void free_memory_settings()
diff --git a/src/simulation.cpp b/src/simulation.cpp
index 4fad196a6..89aa9ca0e 100644
--- a/src/simulation.cpp
+++ b/src/simulation.cpp
@@ -86,7 +86,7 @@ int openmc_simulation_init()
   }
 
   // Determine how much work each process should do
-  calculate_work();
+  calculate_work(settings::n_particles);
 
   // Allocate source, fission and surface source banks.
   allocate_banks();
@@ -214,6 +214,20 @@ int openmc_simulation_finalize()
   // Stop timers and show timing statistics
   simulation::time_finalize.stop();
   simulation::time_total.stop();
+
+#ifdef OPENMC_MPI
+  // Reduce track count across ranks for correct reporting. In shared secondary
+  // bank mode, all ranks already have the global count; in non-shared mode,
+  // each rank only has its own count.
+  if (settings::weight_windows_on && !settings::use_shared_secondary_bank) {
+    int64_t total_tracks;
+    MPI_Reduce(&simulation::simulation_tracks_completed, &total_tracks, 1,
+      MPI_INT64_T, MPI_SUM, 0, mpi::intracomm);
+    if (mpi::master)
+      simulation::simulation_tracks_completed = total_tracks;
+  }
+#endif
+
   if (mpi::master) {
     if (settings::solver_type != SolverType::RANDOM_RAY) {
       if (settings::verbosity >= 6)
@@ -254,9 +268,17 @@ int openmc_next_batch(int* status)
 
     // Transport loop
     if (settings::event_based) {
-      transport_event_based();
+      if (settings::use_shared_secondary_bank) {
+        transport_event_based_shared_secondary();
+      } else {
+        transport_event_based();
+      }
     } else {
-      transport_history_based();
+      if (settings::use_shared_secondary_bank) {
+        transport_history_based_shared_secondary();
+      } else {
+        transport_history_based();
+      }
     }
 
     // Accumulate time for transport
@@ -324,6 +346,8 @@ const RegularMesh* ufs_mesh {nullptr};
 vector<double> k_generation;
 vector<int64_t> work_index;
 
+int64_t simulation_tracks_completed {0};
+
 } // namespace simulation
 
 //==============================================================================
@@ -547,7 +571,7 @@ void finalize_generation()
     // If using shared memory, stable sort the fission bank (by parent IDs)
     // so as to allow for reproducibility regardless of which order particles
     // are run in.
-    sort_fission_bank();
+    sort_bank(simulation::fission_bank, true);
 
     // Distribute fission bank across processors evenly
     synchronize_bank();
@@ -571,26 +595,35 @@ void finalize_generation()
   }
 }
 
-void initialize_history(Particle& p, int64_t index_source)
+void sample_source_particle(Particle& p, int64_t index_source)
 {
-  // set defaults
+  // Sample a particle from the source bank
   if (settings::run_mode == RunMode::EIGENVALUE) {
-    // set defaults for eigenvalue simulations from primary bank
     p.from_source(&simulation::source_bank[index_source - 1]);
   } else if (settings::run_mode == RunMode::FIXED_SOURCE) {
     // initialize random number seed
-    int64_t id = (simulation::total_gen + overall_generation() - 1) *
-                   settings::n_particles +
-                 simulation::work_index[mpi::rank] + index_source;
+    int64_t id = compute_transport_seed(compute_particle_id(index_source));
     uint64_t seed = init_seed(id, STREAM_SOURCE);
     // sample from external source distribution or custom library then set
     auto site = sample_external_source(&seed);
     p.from_source(&site);
   }
-  p.current_work() = index_source;
+}
+
+void initialize_particle_track(
+  Particle& p, int64_t index_source, bool is_secondary)
+{
+  // Note: index_source is 1-based (first particle = 1), but current_work() is
+  // stored as 0-based for direct use as an array index into
+  // progeny_per_particle, source_bank, ifp banks, etc.
+  if (!is_secondary) {
+    sample_source_particle(p, index_source);
+  }
+
+  p.current_work() = index_source - 1;
 
   // set identifier for particle
-  p.id() = simulation::work_index[mpi::rank] + index_source;
+  p.id() = compute_particle_id(index_source);
 
   // set progeny count to zero
   p.n_progeny() = 0;
@@ -598,6 +631,9 @@ void initialize_history(Particle& p, int64_t index_source)
   // Reset particle event counter
   p.n_event() = 0;
 
+  // Initialize track counter (1 for this primary/secondary track)
+  p.n_tracks() = 1;
+
   // Reset split counter
   p.n_split() = 0;
 
@@ -611,9 +647,7 @@ void initialize_history(Particle& p, int64_t index_source)
   std::fill(p.pht_storage().begin(), p.pht_storage().end(), 0);
 
   // set random number seed
-  int64_t particle_seed =
-    (simulation::total_gen + overall_generation() - 1) * settings::n_particles +
-    p.id();
+  int64_t particle_seed = compute_transport_seed(p.id());
   init_particle_seeds(particle_seed, p.seeds());
 
   // set particle trace
@@ -627,17 +661,21 @@ void initialize_history(Particle& p, int64_t index_source)
   p.write_track() = check_track_criteria(p);
 
   // Set the particle's initial weight window value.
-  p.wgt_ww_born() = -1.0;
-  apply_weight_windows(p);
+  if (!is_secondary) {
+    p.wgt_ww_born() = -1.0;
+    apply_weight_windows(p);
+  }
 
   // Display message if high verbosity or trace is on
   if (settings::verbosity >= 9 || p.trace()) {
     write_message("Simulating Particle {}", p.id());
   }
 
-// Add particle's starting weight to count for normalizing tallies later
+  // Add particle's starting weight to count for normalizing tallies later
+  if (!is_secondary) {
 #pragma omp atomic
-  simulation::total_weight += p.wgt();
+    simulation::total_weight += p.wgt();
+  }
 
   // Force calculation of cross-sections by setting last energy to zero
   if (settings::run_CE) {
@@ -655,13 +693,34 @@ int overall_generation()
   return settings::gen_per_batch * (current_batch - 1) + current_gen;
 }
 
-void calculate_work()
+int64_t compute_particle_id(int64_t index_source)
+{
+  if (settings::use_shared_secondary_bank) {
+    return simulation::work_index[mpi::rank] + index_source +
+           simulation::simulation_tracks_completed;
+  } else {
+    return simulation::work_index[mpi::rank] + index_source;
+  }
+}
+
+int64_t compute_transport_seed(int64_t particle_id)
+{
+  if (settings::use_shared_secondary_bank) {
+    return particle_id;
+  } else {
+    return (simulation::total_gen + overall_generation() - 1) *
+             settings::n_particles +
+           particle_id;
+  }
+}
+
+void calculate_work(int64_t n_particles)
 {
   // Determine minimum amount of particles to simulate on each processor
-  int64_t min_work = settings::n_particles / mpi::n_procs;
+  int64_t min_work = n_particles / mpi::n_procs;
 
   // Determine number of processors that have one extra particle
-  int64_t remainder = settings::n_particles % mpi::n_procs;
+  int64_t remainder = n_particles % mpi::n_procs;
 
   int64_t i_bank = 0;
   simulation::work_index.resize(mpi::n_procs + 1);
@@ -816,7 +875,7 @@ void transport_history_based_single_particle(Particle& p)
         p.event_collide();
       }
     }
-    p.event_revive_from_secondary();
+    p.event_check_limit_and_revive();
   }
   p.event_death();
 }
@@ -826,11 +885,137 @@ void transport_history_based()
 #pragma omp parallel for schedule(runtime)
   for (int64_t i_work = 1; i_work <= simulation::work_per_rank; ++i_work) {
     Particle p;
-    initialize_history(p, i_work);
+    initialize_particle_track(p, i_work, false);
     transport_history_based_single_particle(p);
   }
 }
 
+// The shared secondary bank transport algorithm works in two phases. In the
+// first phase, all primary particles are sampled then transported, and their
+// secondary particles are deposited into a shared secondary bank. The second
+// phase occurs in a loop, where all secondary tracks in the shared secondary
+// bank are transported. Any secondary particles generated during this phase are
+// deposited back into the shared secondary bank. The shared secondary bank is
+// sorted for consistent ordering and load balanced across MPI ranks. This loop
+// continues until there are no more secondary tracks left to transport.
+void transport_history_based_shared_secondary()
+{
+  // Clear shared secondary banks from any prior use
+  simulation::shared_secondary_bank_read.clear();
+  simulation::shared_secondary_bank_write.clear();
+
+  if (mpi::master) {
+    write_message(fmt::format(" Primary source          particles: {}",
+                    settings::n_particles),
+      6);
+  }
+
+  simulation::progeny_per_particle.resize(simulation::work_per_rank);
+  std::fill(simulation::progeny_per_particle.begin(),
+    simulation::progeny_per_particle.end(), 0);
+
+  // Phase 1: Transport primary particles and deposit first generation of
+  // secondaries in the shared secondary bank
+#pragma omp parallel
+  {
+    vector<SourceSite> thread_bank;
+
+#pragma omp for schedule(runtime)
+    for (int64_t i = 1; i <= simulation::work_per_rank; i++) {
+      Particle p;
+      initialize_particle_track(p, i, false);
+      transport_history_based_single_particle(p);
+      for (auto& site : p.local_secondary_bank()) {
+        thread_bank.push_back(site);
+      }
+    }
+
+    // Drain thread-local bank into the shared secondary bank (once per thread)
+#pragma omp critical(SharedSecondaryBank)
+    {
+      for (auto& site : thread_bank) {
+        simulation::shared_secondary_bank_write.thread_unsafe_append(site);
+      }
+    }
+  }
+
+  simulation::simulation_tracks_completed += settings::n_particles;
+
+  // Phase 2: Now that the secondary bank has been populated, enter loop over
+  // all secondary generations
+  int n_generation_depth = 1;
+  int64_t alive_secondary = 1;
+  while (alive_secondary) {
+
+    // Sort the shared secondary bank by parent ID then progeny ID to
+    // ensure reproducibility.
+    sort_bank(simulation::shared_secondary_bank_write, false);
+
+    // Synchronize the shared secondary bank amongst all MPI ranks, such
+    // that each MPI rank has an approximately equal number of secondary
+    // tracks. Also reports the total number of secondaries alive across
+    // all MPI ranks.
+    alive_secondary = synchronize_global_secondary_bank(
+      simulation::shared_secondary_bank_write);
+
+    // Recalculate work for each MPI rank based on number of alive secondary
+    // tracks
+    calculate_work(alive_secondary);
+
+    // Display the number of secondary tracks in this generation. This
+    // is useful for user monitoring so as to see if the secondary population is
+    // exploding and to determine how many generations of secondaries are being
+    // transported.
+    if (mpi::master) {
+      write_message(fmt::format(" Secondary generation {:<2}    tracks: {}",
+                      n_generation_depth, alive_secondary),
+        6);
+    }
+
+    simulation::shared_secondary_bank_read =
+      std::move(simulation::shared_secondary_bank_write);
+    simulation::shared_secondary_bank_write = SharedArray<SourceSite>();
+    simulation::progeny_per_particle.resize(
+      simulation::shared_secondary_bank_read.size());
+    std::fill(simulation::progeny_per_particle.begin(),
+      simulation::progeny_per_particle.end(), 0);
+
+    // Transport all secondary tracks from the shared secondary bank
+#pragma omp parallel
+    {
+      vector<SourceSite> thread_bank;
+
+#pragma omp for schedule(runtime)
+      for (int64_t i = 1; i <= simulation::shared_secondary_bank_read.size();
+           i++) {
+        Particle p;
+        initialize_particle_track(p, i, true);
+        SourceSite& site = simulation::shared_secondary_bank_read[i - 1];
+        p.event_revive_from_secondary(site);
+        transport_history_based_single_particle(p);
+        for (auto& secondary_site : p.local_secondary_bank()) {
+          thread_bank.push_back(secondary_site);
+        }
+      }
+
+      // Drain thread-local bank into the shared secondary bank (once per
+      // thread)
+#pragma omp critical(SharedSecondaryBank)
+      {
+        for (auto& secondary_site : thread_bank) {
+          simulation::shared_secondary_bank_write.thread_unsafe_append(
+            secondary_site);
+        }
+      }
+    } // End of transport loop over tracks in shared secondary bank
+    n_generation_depth++;
+    simulation::simulation_tracks_completed += alive_secondary;
+  } // End of loop over secondary generations
+
+  // Reset work so that fission bank etc works correctly
+  calculate_work(settings::n_particles);
+}
+
 void transport_event_based()
 {
   int64_t remaining_work = simulation::work_per_rank;
@@ -848,33 +1033,7 @@ void transport_event_based()
 
     // Initialize all particle histories for this subiteration
     process_init_events(n_particles, source_offset);
-
-    // Event-based transport loop
-    while (true) {
-      // Determine which event kernel has the longest queue
-      int64_t max = std::max({simulation::calculate_fuel_xs_queue.size(),
-        simulation::calculate_nonfuel_xs_queue.size(),
-        simulation::advance_particle_queue.size(),
-        simulation::surface_crossing_queue.size(),
-        simulation::collision_queue.size()});
-
-      // Execute event with the longest queue
-      if (max == 0) {
-        break;
-      } else if (max == simulation::calculate_fuel_xs_queue.size()) {
-        process_calculate_xs_events(simulation::calculate_fuel_xs_queue);
-      } else if (max == simulation::calculate_nonfuel_xs_queue.size()) {
-        process_calculate_xs_events(simulation::calculate_nonfuel_xs_queue);
-      } else if (max == simulation::advance_particle_queue.size()) {
-        process_advance_particle_events();
-      } else if (max == simulation::surface_crossing_queue.size()) {
-        process_surface_crossing_events();
-      } else if (max == simulation::collision_queue.size()) {
-        process_collision_events();
-      }
-    }
-
-    // Execute death event for all particles
+    process_transport_events();
     process_death_events(n_particles);
 
     // Adjust remaining work and source offset variables
@@ -883,4 +1042,122 @@ void transport_event_based()
   }
 }
 
+void transport_event_based_shared_secondary()
+{
+  // Clear shared secondary banks from any prior use
+  simulation::shared_secondary_bank_read.clear();
+  simulation::shared_secondary_bank_write.clear();
+
+  if (mpi::master) {
+    write_message(fmt::format(" Primary source          particles: {}",
+                    settings::n_particles),
+      6);
+  }
+
+  simulation::progeny_per_particle.resize(simulation::work_per_rank);
+  std::fill(simulation::progeny_per_particle.begin(),
+    simulation::progeny_per_particle.end(), 0);
+
+  // Phase 1: Transport primary particles using event-based processing and
+  // deposit first generation of secondaries in the shared secondary bank
+  int64_t remaining_work = simulation::work_per_rank;
+  int64_t source_offset = 0;
+
+  while (remaining_work > 0) {
+    int64_t n_particles =
+      std::min(remaining_work, settings::max_particles_in_flight);
+
+    process_init_events(n_particles, source_offset);
+    process_transport_events();
+    process_death_events(n_particles);
+
+    // Collect secondaries from all particle buffers into shared bank
+    for (int64_t i = 0; i < n_particles; i++) {
+      for (auto& site : simulation::particles[i].local_secondary_bank()) {
+        simulation::shared_secondary_bank_write.thread_unsafe_append(site);
+      }
+      simulation::particles[i].local_secondary_bank().clear();
+    }
+
+    remaining_work -= n_particles;
+    source_offset += n_particles;
+  }
+
+  simulation::simulation_tracks_completed += settings::n_particles;
+
+  // Phase 2: Now that the secondary bank has been populated, enter loop over
+  // all secondary generations
+  int n_generation_depth = 1;
+  int64_t alive_secondary = 1;
+  while (alive_secondary) {
+
+    // Sort the shared secondary bank by parent ID then progeny ID to
+    // ensure reproducibility.
+    sort_bank(simulation::shared_secondary_bank_write, false);
+
+    // Synchronize the shared secondary bank amongst all MPI ranks, such
+    // that each MPI rank has an approximately equal number of secondary
+    // tracks.
+    alive_secondary = synchronize_global_secondary_bank(
+      simulation::shared_secondary_bank_write);
+
+    // Recalculate work for each MPI rank based on number of alive secondary
+    // tracks
+    calculate_work(alive_secondary);
+
+    if (mpi::master) {
+      write_message(fmt::format(" Secondary generation {:<2}    tracks: {}",
+                      n_generation_depth, alive_secondary),
+        6);
+    }
+
+    simulation::shared_secondary_bank_read =
+      std::move(simulation::shared_secondary_bank_write);
+    simulation::shared_secondary_bank_write = SharedArray<SourceSite>();
+    simulation::progeny_per_particle.resize(
+      simulation::shared_secondary_bank_read.size());
+    std::fill(simulation::progeny_per_particle.begin(),
+      simulation::progeny_per_particle.end(), 0);
+
+    // Ensure particle buffer is large enough for this secondary generation
+    int64_t sec_buffer_length = std::min(
+      static_cast<int64_t>(simulation::shared_secondary_bank_read.size()),
+      settings::max_particles_in_flight);
+    if (sec_buffer_length >
+        static_cast<int64_t>(simulation::particles.size())) {
+      init_event_queues(sec_buffer_length);
+    }
+
+    // Transport secondary tracks using event-based processing
+    int64_t sec_remaining = simulation::shared_secondary_bank_read.size();
+    int64_t sec_offset = 0;
+
+    while (sec_remaining > 0) {
+      int64_t n_particles =
+        std::min(sec_remaining, settings::max_particles_in_flight);
+
+      process_init_secondary_events(
+        n_particles, sec_offset, simulation::shared_secondary_bank_read);
+      process_transport_events();
+      process_death_events(n_particles);
+
+      // Collect secondaries from all particle buffers into shared bank
+      for (int64_t i = 0; i < n_particles; i++) {
+        for (auto& site : simulation::particles[i].local_secondary_bank()) {
+          simulation::shared_secondary_bank_write.thread_unsafe_append(site);
+        }
+        simulation::particles[i].local_secondary_bank().clear();
+      }
+
+      sec_remaining -= n_particles;
+      sec_offset += n_particles;
+    } // End of subiteration loop over secondary tracks
+    n_generation_depth++;
+    simulation::simulation_tracks_completed += alive_secondary;
+  } // End of loop over secondary generations
+
+  // Reset work so that fission bank etc works correctly
+  calculate_work(settings::n_particles);
+}
+
 } // namespace openmc
diff --git a/src/tallies/filter_particle_production.cpp b/src/tallies/filter_particle_production.cpp
index f8d82fdd9..899809679 100644
--- a/src/tallies/filter_particle_production.cpp
+++ b/src/tallies/filter_particle_production.cpp
@@ -19,7 +19,7 @@ void ParticleProductionFilter::get_all_bins(
 
   // Loop over secondary bank entries
   for (int bank_idx = start_idx; bank_idx < end_idx; bank_idx++) {
-    const auto& site = p.secondary_bank(bank_idx);
+    const auto& site = p.local_secondary_bank(bank_idx);
 
     // Find which particle-type slot this secondary belongs to
     auto it = type_to_index_.find(site.particle.pdg_number());
diff --git a/src/tallies/tally_scoring.cpp b/src/tallies/tally_scoring.cpp
index 5dcd07331..b7947afab 100644
--- a/src/tallies/tally_scoring.cpp
+++ b/src/tallies/tally_scoring.cpp
@@ -945,7 +945,7 @@ void score_general_ce_nonanalog(Particle& p, int i_tally, int start_index,
         if (p.type().is_neutron() && p.fission()) {
           if (is_generation_time_or_both()) {
             const auto& lifetimes =
-              simulation::ifp_source_lifetime_bank[p.current_work() - 1];
+              simulation::ifp_source_lifetime_bank[p.current_work()];
             if (lifetimes.size() == settings::ifp_n_generation) {
               score = lifetimes[0] * p.wgt_last();
             }
@@ -959,7 +959,7 @@ void score_general_ce_nonanalog(Particle& p, int i_tally, int start_index,
         if (p.type().is_neutron() && p.fission()) {
           if (is_beta_effective_or_both()) {
             const auto& delayed_groups =
-              simulation::ifp_source_delayed_group_bank[p.current_work() - 1];
+              simulation::ifp_source_delayed_group_bank[p.current_work()];
             if (delayed_groups.size() == settings::ifp_n_generation) {
               if (delayed_groups[0] > 0) {
                 score = p.wgt_last();
@@ -985,12 +985,11 @@ void score_general_ce_nonanalog(Particle& p, int i_tally, int start_index,
           int ifp_data_size;
           if (is_beta_effective_or_both()) {
             ifp_data_size = static_cast<int>(
-              simulation::ifp_source_delayed_group_bank[p.current_work() - 1]
+              simulation::ifp_source_delayed_group_bank[p.current_work()]
                 .size());
           } else {
             ifp_data_size = static_cast<int>(
-              simulation::ifp_source_lifetime_bank[p.current_work() - 1]
-                .size());
+              simulation::ifp_source_lifetime_bank[p.current_work()].size());
           }
           if (ifp_data_size == settings::ifp_n_generation) {
             score = p.wgt_last();
diff --git a/tests/regression_tests/mg_fixed_source_ww_fission_shared_secondary/__init__.py b/tests/regression_tests/mg_fixed_source_ww_fission_shared_secondary/__init__.py
new file mode 100644
index 000000000..e69de29bb
diff --git a/tests/regression_tests/mg_fixed_source_ww_fission_shared_secondary/inputs_true.dat b/tests/regression_tests/mg_fixed_source_ww_fission_shared_secondary/inputs_true.dat
new file mode 100644
index 000000000..318fdc7b9
--- /dev/null
+++ b/tests/regression_tests/mg_fixed_source_ww_fission_shared_secondary/inputs_true.dat
@@ -0,0 +1,65 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <cross_sections>2g.h5</cross_sections>
+    <material id="1" name="mat_1">
+      <density value="1.0" units="macro"/>
+      <macroscopic name="mat_1"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="1 -2" universe="0"/>
+    <surface id="1" type="x-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="2" type="x-plane" boundary="vacuum" coeffs="929.45"/>
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>100</particles>
+    <batches>2</batches>
+    <inactive>0</inactive>
+    <source type="independent" strength="1.0" particle="neutron">
+      <space type="box">
+        <parameters>0.0 -1000.0 -1000.0 929.45 1000.0 1000.0</parameters>
+      </space>
+    </source>
+    <output>
+      <summary>false</summary>
+    </output>
+    <energy_mode>multi-group</energy_mode>
+    <tabular_legendre>
+      <enable>false</enable>
+    </tabular_legendre>
+    <create_fission_neutrons>true</create_fission_neutrons>
+    <weight_windows id="1">
+      <mesh>1</mesh>
+      <particle_type>neutron</particle_type>
+      <energy_bounds>0.0 0.625 20000000.0</energy_bounds>
+      <lower_ww_bounds>0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5</lower_ww_bounds>
+      <upper_ww_bounds>2.5 2.5 2.5 2.5 2.5 2.5 2.5 2.5 2.5 2.5</upper_ww_bounds>
+      <survival_ratio>3.0</survival_ratio>
+      <max_split>10</max_split>
+      <weight_cutoff>1e-38</weight_cutoff>
+    </weight_windows>
+    <mesh id="1">
+      <dimension>5 1 1</dimension>
+      <lower_left>0.0 -1000.0 -1000.0</lower_left>
+      <upper_right>929.45 1000.0 1000.0</upper_right>
+    </mesh>
+    <shared_secondary_bank>true</shared_secondary_bank>
+    <max_history_splits>100</max_history_splits>
+  </settings>
+  <tallies>
+    <mesh id="2">
+      <dimension>5 1 1</dimension>
+      <lower_left>0.0 -1000.0 -1000.0</lower_left>
+      <upper_right>929.45 1000.0 1000.0</upper_right>
+    </mesh>
+    <filter id="1" type="mesh">
+      <bins>2</bins>
+    </filter>
+    <tally id="1">
+      <filters>1</filters>
+      <scores>flux</scores>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/mg_fixed_source_ww_fission_shared_secondary/results_true.dat b/tests/regression_tests/mg_fixed_source_ww_fission_shared_secondary/results_true.dat
new file mode 100644
index 000000000..38ff94417
--- /dev/null
+++ b/tests/regression_tests/mg_fixed_source_ww_fission_shared_secondary/results_true.dat
@@ -0,0 +1,11 @@
+tally 1:
+1.765369E+04
+3.087787E+08
+1.708316E+04
+2.842002E+08
+9.444106E+03
+7.488341E+07
+2.066528E+03
+2.142445E+06
+8.689619E+02
+5.652099E+05
diff --git a/tests/regression_tests/mg_fixed_source_ww_fission_shared_secondary/test.py b/tests/regression_tests/mg_fixed_source_ww_fission_shared_secondary/test.py
new file mode 100644
index 000000000..336c8461f
--- /dev/null
+++ b/tests/regression_tests/mg_fixed_source_ww_fission_shared_secondary/test.py
@@ -0,0 +1,91 @@
+import os
+
+import numpy as np
+import openmc
+from openmc.examples import slab_mg
+
+from tests.testing_harness import PyAPITestHarness
+
+
+def create_library():
+    # Instantiate the energy group data and file object
+    groups = openmc.mgxs.EnergyGroups([0.0, 0.625, 20.0e6])
+
+    mg_cross_sections_file = openmc.MGXSLibrary(groups)
+
+    # Make the base, isotropic data
+    nu = [2.50, 2.50]
+    fiss = np.array([0.002817, 0.097])
+    capture = [0.008708, 0.02518]
+    absorption = np.add(capture, fiss)
+    scatter = np.array(
+        [[[0.31980, 0.06694], [0.004555, -0.0003972]],
+         [[0.00000, 0.00000], [0.424100, 0.05439000]]])
+    total = [0.33588, 0.54628]
+    chi = [1., 0.]
+
+    mat_1 = openmc.XSdata('mat_1', groups)
+    mat_1.order = 1
+    mat_1.set_nu_fission(np.multiply(nu, fiss))
+    mat_1.set_absorption(absorption)
+    mat_1.set_scatter_matrix(scatter)
+    mat_1.set_total(total)
+    mat_1.set_chi(chi)
+    mg_cross_sections_file.add_xsdata(mat_1)
+
+    # Write the file
+    mg_cross_sections_file.export_to_hdf5('2g.h5')
+
+
+class MGXSTestHarness(PyAPITestHarness):
+    def _cleanup(self):
+        super()._cleanup()
+        f = '2g.h5'
+        if os.path.exists(f):
+            os.remove(f)
+
+
+def test_mg_fixed_source_ww_fission_shared_secondary():
+    create_library()
+    model = slab_mg()
+
+    # Override settings for fixed-source mode with shared secondary bank
+    model.settings.run_mode = 'fixed source'
+    model.settings.inactive = 0
+    model.settings.batches = 2
+    model.settings.particles = 100
+    model.settings.create_fission_neutrons = True
+    model.settings.shared_secondary_bank = True
+    model.settings.max_history_splits = 100
+
+    # Add weight windows on a simple 1D mesh
+    ww_mesh = openmc.RegularMesh()
+    ww_mesh.lower_left = (0.0, -1000.0, -1000.0)
+    ww_mesh.upper_right = (929.45, 1000.0, 1000.0)
+    ww_mesh.dimension = (5, 1, 1)
+
+    # Uniform lower bounds for 2 energy groups, 5 spatial bins
+    lower_bounds = np.full((2, 5, 1, 1), 0.5)
+    ww = openmc.WeightWindows(
+        ww_mesh,
+        lower_bounds.flatten(),
+        None,
+        5.0,
+        [0.0, 0.625, 20.0e6],
+        'neutron'
+    )
+    model.settings.weight_windows = [ww]
+
+    # Add a flux tally
+    mesh = openmc.RegularMesh()
+    mesh.lower_left = (0.0, -1000.0, -1000.0)
+    mesh.upper_right = (929.45, 1000.0, 1000.0)
+    mesh.dimension = (5, 1, 1)
+
+    tally = openmc.Tally()
+    tally.filters = [openmc.MeshFilter(mesh)]
+    tally.scores = ['flux']
+    model.tallies = [tally]
+
+    harness = MGXSTestHarness('statepoint.2.h5', model)
+    harness.main()
diff --git a/tests/regression_tests/particle_production_fission/__init__.py b/tests/regression_tests/particle_production_fission/__init__.py
new file mode 100644
index 000000000..e69de29bb
diff --git a/tests/regression_tests/particle_production_fission/local/inputs_true.dat b/tests/regression_tests/particle_production_fission/local/inputs_true.dat
new file mode 100644
index 000000000..e93dfc36e
--- /dev/null
+++ b/tests/regression_tests/particle_production_fission/local/inputs_true.dat
@@ -0,0 +1,38 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material id="1" depletable="true">
+      <density value="18.0" units="g/cm3"/>
+      <nuclide name="U235" ao="1.0"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="-1" universe="1"/>
+    <surface id="1" type="sphere" boundary="vacuum" coeffs="0.0 0.0 0.0 5.0"/>
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>100</particles>
+    <batches>2</batches>
+    <source type="independent" strength="1.0" particle="neutron">
+      <energy type="discrete">
+        <parameters>1000000.0 1.0</parameters>
+      </energy>
+    </source>
+    <create_fission_neutrons>true</create_fission_neutrons>
+    <shared_secondary_bank>false</shared_secondary_bank>
+  </settings>
+  <tallies>
+    <filter id="2" type="particle">
+      <bins>neutron</bins>
+    </filter>
+    <filter id="1" type="particleproduction">
+      <particles>neutron</particles>
+    </filter>
+    <tally id="1">
+      <filters>2 1</filters>
+      <scores>events</scores>
+      <estimator>analog</estimator>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/particle_production_fission/local/results_true.dat b/tests/regression_tests/particle_production_fission/local/results_true.dat
new file mode 100644
index 000000000..2f5288eba
--- /dev/null
+++ b/tests/regression_tests/particle_production_fission/local/results_true.dat
@@ -0,0 +1,3 @@
+tally 1:
+4.570000E+00
+1.047890E+01
diff --git a/tests/regression_tests/particle_production_fission/shared/inputs_true.dat b/tests/regression_tests/particle_production_fission/shared/inputs_true.dat
new file mode 100644
index 000000000..b50a39cd0
--- /dev/null
+++ b/tests/regression_tests/particle_production_fission/shared/inputs_true.dat
@@ -0,0 +1,38 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material id="1" depletable="true">
+      <density value="18.0" units="g/cm3"/>
+      <nuclide name="U235" ao="1.0"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="-1" universe="1"/>
+    <surface id="1" type="sphere" boundary="vacuum" coeffs="0.0 0.0 0.0 5.0"/>
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>100</particles>
+    <batches>2</batches>
+    <source type="independent" strength="1.0" particle="neutron">
+      <energy type="discrete">
+        <parameters>1000000.0 1.0</parameters>
+      </energy>
+    </source>
+    <create_fission_neutrons>true</create_fission_neutrons>
+    <shared_secondary_bank>true</shared_secondary_bank>
+  </settings>
+  <tallies>
+    <filter id="2" type="particle">
+      <bins>neutron</bins>
+    </filter>
+    <filter id="1" type="particleproduction">
+      <particles>neutron</particles>
+    </filter>
+    <tally id="1">
+      <filters>2 1</filters>
+      <scores>events</scores>
+      <estimator>analog</estimator>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/particle_production_fission/shared/results_true.dat b/tests/regression_tests/particle_production_fission/shared/results_true.dat
new file mode 100644
index 000000000..5a4dfc516
--- /dev/null
+++ b/tests/regression_tests/particle_production_fission/shared/results_true.dat
@@ -0,0 +1,3 @@
+tally 1:
+5.180000E+00
+1.355140E+01
diff --git a/tests/regression_tests/particle_production_fission/test.py b/tests/regression_tests/particle_production_fission/test.py
new file mode 100644
index 000000000..2ad6ca515
--- /dev/null
+++ b/tests/regression_tests/particle_production_fission/test.py
@@ -0,0 +1,49 @@
+import openmc
+import pytest
+from openmc.utility_funcs import change_directory
+
+from tests.testing_harness import PyAPITestHarness
+
+
+@pytest.mark.parametrize("shared_secondary,subdir", [
+    (False, "local"),
+    (True, "shared"),
+])
+def test_particle_production_fission(shared_secondary, subdir):
+    """Fixed-source model with fissionable material to test that
+    ParticleProductionFilter correctly counts fission-born neutrons,
+    with both local and shared secondary bank modes."""
+    with change_directory(subdir):
+        openmc.reset_auto_ids()
+        model = openmc.Model()
+
+        mat = openmc.Material()
+        mat.set_density('g/cm3', 18.0)
+        mat.add_nuclide('U235', 1.0)
+        model.materials.append(mat)
+
+        sph = openmc.Sphere(r=5.0, boundary_type='vacuum')
+        cell = openmc.Cell(fill=mat, region=-sph)
+        model.geometry = openmc.Geometry([cell])
+
+        source = openmc.IndependentSource()
+        source.energy = openmc.stats.delta_function(1.0e6)
+
+        model.settings.particles = 100
+        model.settings.run_mode = 'fixed source'
+        model.settings.batches = 2
+        model.settings.source = source
+        model.settings.create_fission_neutrons = True
+        model.settings.shared_secondary_bank = shared_secondary
+
+        # ParticleProductionFilter tracking fission neutron production
+        ppf = openmc.ParticleProductionFilter(['neutron'])
+        neutron_filter = openmc.ParticleFilter(['neutron'])
+        tally = openmc.Tally()
+        tally.filters = [neutron_filter, ppf]
+        tally.scores = ['events']
+        tally.estimator = 'analog'
+        model.tallies = [tally]
+
+        harness = PyAPITestHarness('statepoint.2.h5', model)
+        harness.main()
diff --git a/tests/regression_tests/particle_restart_fixed_shared_secondary/__init__.py b/tests/regression_tests/particle_restart_fixed_shared_secondary/__init__.py
new file mode 100644
index 000000000..e69de29bb
diff --git a/tests/regression_tests/particle_restart_fixed_shared_secondary/geometry.xml b/tests/regression_tests/particle_restart_fixed_shared_secondary/geometry.xml
new file mode 100644
index 000000000..c86e016c6
--- /dev/null
+++ b/tests/regression_tests/particle_restart_fixed_shared_secondary/geometry.xml
@@ -0,0 +1,9 @@
+<?xml version="1.0"?>
+<geometry>
+
+  <!-- Sphere with no boundary condition -->
+  <surface id="1" type="sphere" coeffs="0.0 0.0 0.0 80.0" />
+  <surface id="2" type="sphere" coeffs="0.0 0.0 0.0 10000.0" boundary="vacuum" />
+  <cell id="1" material="1" region="-1" />
+
+</geometry>
diff --git a/tests/regression_tests/particle_restart_fixed_shared_secondary/materials.xml b/tests/regression_tests/particle_restart_fixed_shared_secondary/materials.xml
new file mode 100644
index 000000000..f3851d7ef
--- /dev/null
+++ b/tests/regression_tests/particle_restart_fixed_shared_secondary/materials.xml
@@ -0,0 +1,9 @@
+<?xml version="1.0"?>
+<materials>
+
+  <material id="1">
+    <density value="1.4" units="g/cc" />
+    <nuclide name="B10" ao="1.0" />
+  </material>
+
+</materials>
diff --git a/tests/regression_tests/particle_restart_fixed_shared_secondary/results_true.dat b/tests/regression_tests/particle_restart_fixed_shared_secondary/results_true.dat
new file mode 100644
index 000000000..0c84541f9
--- /dev/null
+++ b/tests/regression_tests/particle_restart_fixed_shared_secondary/results_true.dat
@@ -0,0 +1,16 @@
+current batch:
+4.000000E+00
+current generation:
+1.000000E+00
+particle id:
+3.241000E+03
+run mode:
+fixed source
+particle weight:
+1.000000E+00
+particle energy:
+3.896365E+06
+particle xyz:
+8.710681E-01 3.698823E+00 -2.286229E+00
+particle uvw:
+-5.882735E-01 4.665422E-01 -6.605093E-01
diff --git a/tests/regression_tests/particle_restart_fixed_shared_secondary/settings.xml b/tests/regression_tests/particle_restart_fixed_shared_secondary/settings.xml
new file mode 100644
index 000000000..3a80fb17b
--- /dev/null
+++ b/tests/regression_tests/particle_restart_fixed_shared_secondary/settings.xml
@@ -0,0 +1,15 @@
+<?xml version="1.0"?>
+<settings>
+
+  <run_mode>fixed source</run_mode>
+  <batches>12</batches>
+  <particles>1000</particles>
+  <shared_secondary_bank>true</shared_secondary_bank>
+
+  <source>
+    <space type="box">
+      <parameters>-10 -10 -5  10  10  5</parameters>
+    </space>
+  </source>
+
+</settings>
diff --git a/tests/regression_tests/particle_restart_fixed_shared_secondary/test.py b/tests/regression_tests/particle_restart_fixed_shared_secondary/test.py
new file mode 100644
index 000000000..770010900
--- /dev/null
+++ b/tests/regression_tests/particle_restart_fixed_shared_secondary/test.py
@@ -0,0 +1,6 @@
+from tests.testing_harness import ParticleRestartTestHarness
+
+
+def test_particle_restart_fixed_shared_secondary():
+    harness = ParticleRestartTestHarness('particle_4_3241.h5')
+    harness.main()
diff --git a/tests/regression_tests/pulse_height/inputs_true.dat b/tests/regression_tests/pulse_height/local/inputs_true.dat
similarity index 95%
rename from tests/regression_tests/pulse_height/inputs_true.dat
rename to tests/regression_tests/pulse_height/local/inputs_true.dat
index 590928e43..50e026bfb 100644
--- a/tests/regression_tests/pulse_height/inputs_true.dat
+++ b/tests/regression_tests/pulse_height/local/inputs_true.dat
@@ -18,14 +18,12 @@
     <particles>100</particles>
     <batches>5</batches>
     <source type="independent" strength="1.0" particle="photon">
-      <space type="point">
-        <parameters>0.0 0.0 0.0</parameters>
-      </space>
       <energy type="discrete">
         <parameters>1000000.0 1.0</parameters>
       </energy>
     </source>
     <photon_transport>true</photon_transport>
+    <shared_secondary_bank>false</shared_secondary_bank>
   </settings>
   <tallies>
     <filter id="1" type="cell">
diff --git a/tests/regression_tests/pulse_height/results_true.dat b/tests/regression_tests/pulse_height/local/results_true.dat
similarity index 100%
rename from tests/regression_tests/pulse_height/results_true.dat
rename to tests/regression_tests/pulse_height/local/results_true.dat
diff --git a/tests/regression_tests/pulse_height/shared/inputs_true.dat b/tests/regression_tests/pulse_height/shared/inputs_true.dat
new file mode 100644
index 000000000..c2aef829c
--- /dev/null
+++ b/tests/regression_tests/pulse_height/shared/inputs_true.dat
@@ -0,0 +1,40 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material id="1">
+      <density value="3.7" units="g/cc"/>
+      <nuclide name="Na23" ao="1.0"/>
+      <nuclide name="I127" ao="1.0"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" name="inner sphere" material="1" region="-1" universe="1"/>
+    <cell id="2" name="outer sphere" material="void" region="1 -2" universe="1"/>
+    <surface id="1" type="sphere" coeffs="0.0 0.0 0.0 1"/>
+    <surface id="2" type="sphere" boundary="vacuum" coeffs="0.0 0.0 0.0 2"/>
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>100</particles>
+    <batches>5</batches>
+    <source type="independent" strength="1.0" particle="photon">
+      <energy type="discrete">
+        <parameters>1000000.0 1.0</parameters>
+      </energy>
+    </source>
+    <photon_transport>true</photon_transport>
+    <shared_secondary_bank>true</shared_secondary_bank>
+  </settings>
+  <tallies>
+    <filter id="1" type="cell">
+      <bins>1</bins>
+    </filter>
+    <filter id="2" type="energy">
+      <bins>0.0 10000.0 20000.0 30000.0 40000.0 50000.0 60000.0 70000.0 80000.0 90000.0 100000.0 110000.0 120000.0 130000.0 140000.0 150000.0 160000.0 170000.0 180000.0 190000.0 200000.0 210000.0 220000.0 230000.0 240000.0 250000.0 260000.0 270000.0 280000.0 290000.0 300000.0 310000.0 320000.0 330000.0 340000.0 350000.0 360000.0 370000.0 380000.0 390000.0 400000.0 410000.0 420000.0 430000.0 440000.0 450000.0 460000.0 470000.0 480000.0 490000.0 500000.0 510000.0 520000.0 530000.0 540000.0 550000.0 560000.0 570000.0 580000.0 590000.0 600000.0 610000.0 620000.0 630000.0 640000.0 650000.0 660000.0 670000.0 680000.0 690000.0 700000.0 710000.0 720000.0 730000.0 740000.0 750000.0 760000.0 770000.0 780000.0 790000.0 800000.0 810000.0 820000.0 830000.0 840000.0 850000.0 860000.0 870000.0 880000.0 890000.0 900000.0 910000.0 920000.0 930000.0 940000.0 950000.0 960000.0 970000.0 980000.0 990000.0 1000000.0</bins>
+    </filter>
+    <tally id="1" name="pht tally">
+      <filters>1 2</filters>
+      <scores>pulse-height</scores>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/pulse_height/shared/results_true.dat b/tests/regression_tests/pulse_height/shared/results_true.dat
new file mode 100644
index 000000000..c57e8ff1c
--- /dev/null
+++ b/tests/regression_tests/pulse_height/shared/results_true.dat
@@ -0,0 +1,201 @@
+tally 1:
+4.140000E+00
+3.443000E+00
+1.000000E-02
+1.000000E-04
+1.000000E-02
+1.000000E-04
+1.000000E-02
+1.000000E-04
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+1.000000E-02
+1.000000E-04
+1.000000E-02
+1.000000E-04
+1.000000E-02
+1.000000E-04
+0.000000E+00
+0.000000E+00
+1.000000E-02
+1.000000E-04
+3.000000E-02
+5.000000E-04
+2.000000E-02
+4.000000E-04
+2.000000E-02
+4.000000E-04
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+3.000000E-02
+3.000000E-04
+1.000000E-02
+1.000000E-04
+1.000000E-02
+1.000000E-04
+1.000000E-02
+1.000000E-04
+1.000000E-02
+1.000000E-04
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+1.000000E-02
+1.000000E-04
+1.000000E-02
+1.000000E-04
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+1.000000E-02
+1.000000E-04
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+4.000000E-02
+6.000000E-04
+1.000000E-02
+1.000000E-04
+0.000000E+00
+0.000000E+00
+2.000000E-02
+2.000000E-04
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+1.000000E-02
+1.000000E-04
+0.000000E+00
+0.000000E+00
+1.000000E-02
+1.000000E-04
+0.000000E+00
+0.000000E+00
+1.000000E-02
+1.000000E-04
+2.000000E-02
+4.000000E-04
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+2.000000E-02
+2.000000E-04
+1.000000E-02
+1.000000E-04
+1.000000E-02
+1.000000E-04
+1.000000E-02
+1.000000E-04
+1.000000E-02
+1.000000E-04
+3.000000E-02
+5.000000E-04
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+1.000000E-02
+1.000000E-04
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+2.000000E-02
+2.000000E-04
+0.000000E+00
+0.000000E+00
+1.000000E-02
+1.000000E-04
+2.000000E-02
+2.000000E-04
+1.000000E-02
+1.000000E-04
+1.000000E-02
+1.000000E-04
+2.000000E-02
+2.000000E-04
+1.000000E-02
+1.000000E-04
+1.000000E-02
+1.000000E-04
+3.000000E-02
+5.000000E-04
+0.000000E+00
+0.000000E+00
+1.000000E-02
+1.000000E-04
+0.000000E+00
+0.000000E+00
+1.000000E-02
+1.000000E-04
+1.000000E-02
+1.000000E-04
+1.000000E-02
+1.000000E-04
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+2.000000E-02
+2.000000E-04
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+2.000000E-01
+8.600000E-03
diff --git a/tests/regression_tests/pulse_height/test.py b/tests/regression_tests/pulse_height/test.py
index 90d960f66..2cbb9152e 100644
--- a/tests/regression_tests/pulse_height/test.py
+++ b/tests/regression_tests/pulse_height/test.py
@@ -1,53 +1,53 @@
 import numpy as np
 import openmc
 import pytest
+from openmc.utility_funcs import change_directory
 
 from tests.testing_harness import PyAPITestHarness
 
 
-@pytest.fixture
-def sphere_model():
-    
-    model = openmc.model.Model()
+@pytest.mark.parametrize("shared_secondary,subdir", [
+    (False, "local"),
+    (True, "shared"),
+])
+def test_pulse_height(shared_secondary, subdir):
+    with change_directory(subdir):
+        openmc.reset_auto_ids()
+        model = openmc.Model()
 
-    # Define materials
-    NaI = openmc.Material()
-    NaI.set_density('g/cc', 3.7)
-    NaI.add_element('Na', 1.0)
-    NaI.add_element('I', 1.0)
+        # Define materials
+        NaI = openmc.Material()
+        NaI.set_density('g/cc', 3.7)
+        NaI.add_element('Na', 1.0)
+        NaI.add_element('I', 1.0)
 
-    model.materials = openmc.Materials([NaI])
+        model.materials = openmc.Materials([NaI])
 
-    # Define geometry: two spheres in each other
-    s1 = openmc.Sphere(r=1)
-    s2 = openmc.Sphere(r=2, boundary_type='vacuum')
-    inner_sphere = openmc.Cell(name='inner sphere', fill=NaI, region=-s1)
-    outer_sphere = openmc.Cell(name='outer sphere', region=+s1 & -s2)
-    model.geometry = openmc.Geometry([inner_sphere, outer_sphere])
+        # Define geometry: two spheres in each other
+        s1 = openmc.Sphere(r=1)
+        s2 = openmc.Sphere(r=2, boundary_type='vacuum')
+        inner_sphere = openmc.Cell(name='inner sphere', fill=NaI, region=-s1)
+        outer_sphere = openmc.Cell(name='outer sphere', region=+s1 & -s2)
+        model.geometry = openmc.Geometry([inner_sphere, outer_sphere])
 
-    # Define settings
-    model.settings.run_mode = 'fixed source'
-    model.settings.batches = 5
-    model.settings.particles = 100
-    model.settings.photon_transport = True
-    model.settings.source = openmc.IndependentSource(
-        space=openmc.stats.Point(),
-        energy=openmc.stats.Discrete([1e6], [1]),
-        particle='photon'
-    )
+        # Define settings
+        model.settings.run_mode = 'fixed source'
+        model.settings.batches = 5
+        model.settings.particles = 100
+        model.settings.photon_transport = True
+        model.settings.shared_secondary_bank = shared_secondary
+        model.settings.source = openmc.IndependentSource(
+            energy=openmc.stats.delta_function(1e6),
+            particle='photon'
+        )
 
-    # Define tallies
-    tally = openmc.Tally(name="pht tally")
-    tally.scores = ['pulse-height']
-    cell_filter = openmc.CellFilter(inner_sphere)
-    energy_filter = openmc.EnergyFilter(np.linspace(0, 1_000_000, 101))
-    tally.filters = [cell_filter, energy_filter]
-    model.tallies = [tally]
+        # Define tallies
+        tally = openmc.Tally(name="pht tally")
+        tally.scores = ['pulse-height']
+        cell_filter = openmc.CellFilter(inner_sphere)
+        energy_filter = openmc.EnergyFilter(np.linspace(0, 1_000_000, 101))
+        tally.filters = [cell_filter, energy_filter]
+        model.tallies = [tally]
 
-    return model
-
-
-
-def test_pulse_height(sphere_model):
-    harness = PyAPITestHarness('statepoint.5.h5', sphere_model)
-    harness.main()
+        harness = PyAPITestHarness('statepoint.5.h5', model)
+        harness.main()
diff --git a/tests/regression_tests/weightwindows/local/inputs_true.dat b/tests/regression_tests/weightwindows/local/inputs_true.dat
new file mode 100644
index 000000000..57dc42ca4
--- /dev/null
+++ b/tests/regression_tests/weightwindows/local/inputs_true.dat
@@ -0,0 +1,94 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material id="1">
+      <density value="2.3" units="g/cc"/>
+      <nuclide name="H1" ao="0.168018676"/>
+      <nuclide name="O16" ao="0.561814465"/>
+      <nuclide name="O17" ao="0.00021401"/>
+      <nuclide name="Na23" ao="0.021365"/>
+      <nuclide name="Al27" ao="0.021343"/>
+      <nuclide name="Si28" ao="0.187439342"/>
+      <nuclide name="Si29" ao="0.009517714"/>
+      <nuclide name="Si30" ao="0.006273944"/>
+      <nuclide name="Ca40" ao="0.018026179"/>
+      <nuclide name="Ca42" ao="0.00012031"/>
+      <nuclide name="Ca44" ao="0.000387892"/>
+      <nuclide name="Fe54" ao="0.000248179"/>
+      <nuclide name="Fe56" ao="0.003895875"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="-1" universe="1"/>
+    <cell id="2" material="void" region="1 -2" universe="1"/>
+    <surface id="1" type="sphere" coeffs="0.0 0.0 0.0 240"/>
+    <surface id="2" type="sphere" boundary="vacuum" coeffs="0.0 0.0 0.0 250"/>
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>500</particles>
+    <batches>2</batches>
+    <source type="independent" strength="1.0" particle="neutron">
+      <space type="point">
+        <parameters>0.001 0.001 0.001</parameters>
+      </space>
+      <energy type="discrete">
+        <parameters>14000000.0 1.0</parameters>
+      </energy>
+    </source>
+    <photon_transport>true</photon_transport>
+    <weight_windows id="1">
+      <mesh>2</mesh>
+      <particle_type>neutron</particle_type>
+      <energy_bounds>0.0 0.5 20000000.0</energy_bounds>
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+      <energy_bounds>0.0 0.5 20000000.0</energy_bounds>
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+      <upper_ww_bounds>-10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 0.00020445691096074745 -10.0 -10.0 -10.0 0.0013281328509288383 0.006267128082339883 -10.0 -10.0 -10.0 -10.0 0.004209808495056742 0.0005340221214300681 -10.0 -10.0 -10.0 0.00015536934920423439 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 0.00037096847855980485 -10.0 -10.0 0.000541969614042385 0.007918090215756443 0.0009763572147337743 -10.0 -10.0 0.026398319229115234 0.4039871468258457 0.02806654735003014 -10.0 -10.0 0.027608366482897245 0.40190978087723006 0.025084416103979976 -10.0 -10.0 0.0009774868433298411 0.0061264049168796506 0.0014841730774317252 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 9.753424087171071e-05 0.00017610849405640073 -10.0 -10.0 0.001160370359598608 0.02822592083222468 0.003897177301239376 -10.0 -10.0 0.14965179733172532 5.0 0.11723491704290401 -10.0 0.0002260493623875525 0.15157364795884923 4.937699395340239 0.13111419473204966 -10.0 -10.0 0.0014919915366377564 0.02197964829133137 0.003209711829219673 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 0.00014806422867046437 -10.0 -10.0 -10.0 0.0009207268175745281 0.007066033561638983 -10.0 -10.0 -10.0 0.03246064903858183 0.39054930280659084 0.025380574501073606 -10.0 -10.0 0.03249926021191793 0.4335567738779479 0.03157721455701706 0.0004521352809838806 -10.0 0.0018268090756001904 0.004353654810741932 0.001127325957309237 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 9.650194311662424e-05 0.0029403373970835075 0.0013506203419326437 -10.0 -10.0 4.5065302725431816e-05 0.002772532363874424 0.0003547290864255937 -10.0 -10.0 -10.0 0.0008786172732576295 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0</upper_ww_bounds>
+      <survival_ratio>3.0</survival_ratio>
+      <max_lower_bound_ratio>1.5</max_lower_bound_ratio>
+      <max_split>10</max_split>
+      <weight_cutoff>1e-38</weight_cutoff>
+    </weight_windows>
+    <shared_secondary_bank>false</shared_secondary_bank>
+    <weight_window_checkpoints>
+      <collision>true</collision>
+      <surface>true</surface>
+    </weight_window_checkpoints>
+    <max_history_splits>200</max_history_splits>
+  </settings>
+  <tallies>
+    <mesh id="1">
+      <dimension>5 10 15</dimension>
+      <lower_left>-240 -240 -240</lower_left>
+      <upper_right>240 240 240</upper_right>
+    </mesh>
+    <filter id="1" type="mesh">
+      <bins>1</bins>
+    </filter>
+    <filter id="2" type="energy">
+      <bins>0.0 0.5 20000000.0</bins>
+    </filter>
+    <filter id="3" type="particle">
+      <bins>neutron photon</bins>
+    </filter>
+    <tally id="1">
+      <filters>1 2 3</filters>
+      <scores>flux</scores>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/weightwindows/local/results_true.dat b/tests/regression_tests/weightwindows/local/results_true.dat
new file mode 100644
index 000000000..d3dfa119d
--- /dev/null
+++ b/tests/regression_tests/weightwindows/local/results_true.dat
@@ -0,0 +1 @@
+a78972fe3c0dadfc256cfb139c5ca8c7b634738e1895ad2d6286ed5e2567c6dc518e499363908e9058432684148a706a179a39110f703d5322491184a1d0c3e4
\ No newline at end of file
diff --git a/tests/regression_tests/weightwindows/results_true.dat b/tests/regression_tests/weightwindows/results_true.dat
deleted file mode 100644
index 897089e05..000000000
--- a/tests/regression_tests/weightwindows/results_true.dat
+++ /dev/null
@@ -1 +0,0 @@
-a4a3ccca43666e2ca1e71800201b152cca20c387b93d67522c5339807348dcee5cada9acbed3238f37e2e86e76b374b06988742f07d4ea1b413e4e75d0c180b1
\ No newline at end of file
diff --git a/tests/regression_tests/weightwindows/inputs_true.dat b/tests/regression_tests/weightwindows/shared/inputs_true.dat
similarity index 99%
rename from tests/regression_tests/weightwindows/inputs_true.dat
rename to tests/regression_tests/weightwindows/shared/inputs_true.dat
index aa7a0379d..6ec7d12e3 100644
--- a/tests/regression_tests/weightwindows/inputs_true.dat
+++ b/tests/regression_tests/weightwindows/shared/inputs_true.dat
@@ -64,6 +64,7 @@
       <max_split>10</max_split>
       <weight_cutoff>1e-38</weight_cutoff>
     </weight_windows>
+    <shared_secondary_bank>true</shared_secondary_bank>
     <weight_window_checkpoints>
       <collision>true</collision>
       <surface>true</surface>
diff --git a/tests/regression_tests/weightwindows/shared/results_true.dat b/tests/regression_tests/weightwindows/shared/results_true.dat
new file mode 100644
index 000000000..01381db32
--- /dev/null
+++ b/tests/regression_tests/weightwindows/shared/results_true.dat
@@ -0,0 +1 @@
+27c2d218ecf46161088003fbb39ccd63495f80d6e0b27dbc3b3e845b49b282dabf0eaba4fb619be15c6116fc963ec5ce1fe4197efbe4084972ec761e02e70eb5
\ No newline at end of file
diff --git a/tests/regression_tests/weightwindows/survival_biasing/local/inputs_true.dat b/tests/regression_tests/weightwindows/survival_biasing/local/inputs_true.dat
new file mode 100644
index 000000000..fe144dc62
--- /dev/null
+++ b/tests/regression_tests/weightwindows/survival_biasing/local/inputs_true.dat
@@ -0,0 +1,69 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material id="1" name="Tungsten">
+      <density value="19.25" units="g/cm3"/>
+      <nuclide name="W180" ao="0.0012"/>
+      <nuclide name="W182" ao="0.265"/>
+      <nuclide name="W183" ao="0.1431"/>
+      <nuclide name="W184" ao="0.3064"/>
+      <nuclide name="W186" ao="0.2843"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="1" region="1 -2 3 -4 5 -6" universe="1"/>
+    <surface id="1" type="x-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="2" type="x-plane" boundary="vacuum" coeffs="160.0"/>
+    <surface id="3" type="y-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="4" type="y-plane" boundary="reflective" coeffs="160.0"/>
+    <surface id="5" type="z-plane" boundary="reflective" coeffs="0.0"/>
+    <surface id="6" type="z-plane" boundary="reflective" coeffs="160.0"/>
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>50</particles>
+    <batches>5</batches>
+    <source type="independent" strength="1.0" particle="neutron">
+      <space type="cartesian">
+        <x type="discrete">
+          <parameters>0.01 1.0</parameters>
+        </x>
+        <y type="uniform" parameters="0.0 160.0"/>
+        <z type="uniform" parameters="0.0 160.0"/>
+      </space>
+      <angle type="monodirectional" reference_uvw="1.0 0.0 0.0"/>
+      <energy type="discrete">
+        <parameters>14100000.0 1.0</parameters>
+      </energy>
+    </source>
+    <survival_biasing>true</survival_biasing>
+    <weight_windows id="1">
+      <mesh>1</mesh>
+      <particle_type>neutron</particle_type>
+      <lower_ww_bounds>0.46135961568957096 0.2874485390202603 0.13256013950494605 0.052765209609807295 0.020958440832685638 0.006317250035749876 0.002627037175682506 0.00030032343592437284 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 0.4611178493390162 0.28624862560842024 0.13999870622621136 0.05508479408959756 0.018281241958254993 0.0055577764872361555 0.0015265432226293397 0.00024298772352636966 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 0.46294957913063317 0.2857734367546051 0.13365623190336945 0.05034742166227103 0.017525851812913266 0.005096725451851077 0.0026297640951531403 0.00033732424392026144 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 0.45772598750472554 0.281494921471495 0.13604397962762246 0.054792881472295364 0.019802376898755525 0.0073351745579128495 0.002067392946066426 9.529474085926143e-05 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 0.4739762983490318 0.28419061537046764 0.12757509901507888 0.0516920293019733 0.01919167874787235 0.007593035964707848 0.0017488176314107277 9.678267909681988e-05 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 0.47560199098558276 0.27728389146956994 0.12760802572535623 0.05251965811713552 0.022498960644951632 0.01063372459325151 0.004242071054914633 0.00045603112202665183 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 0.47659199471934693 0.28886666944252215 0.1258637573398161 0.05818862375955657 0.020476313720744762 0.007143193244018263 0.0022364083022515273 0.0003953123781408474 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 0.4693487369606823 0.27180862139490125 0.12833455570423483 0.055146743559938344 0.020667403529470333 0.007891508723137146 0.001643551705407358 0.0006501416781353278 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 0.4538724931023337 0.2824491421084296 0.1275341706351566 0.055027501141893705 0.02305114640508087 0.008599303158607198 0.0025082611194161804 0.000518530311231696 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 0.45258444753220123 0.26839102466484255 0.12991633918797083 0.05442263709947767 0.019695895223471486 0.005353204961887518 0.0015074698293840157 0.0001598680898180058 8.872047880811405e-05 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 0.4482467985982804 0.2813276470183359 0.13449860790768647 0.056103278190533436 0.026274320334196962 0.006884071908429303 0.0033099390738735458 0.0005337454397674922 0.0001386380399465575 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 0.4875748950139487 0.2908586705316248 0.14212060658392278 0.06068108009637272 0.019467970468789477 0.00637102427946399 0.0028510425266191687 0.0012184421778115488 0.00029404541567146187 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 0.5 0.2852101551297824 0.13622307172321643 0.058302519884339946 0.023124734915152625 0.007401527839638796 0.002527635652743992 0.0008509612315162482 0.00018213334574554768 7.815977984795461e-06 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 0.47706397688984176 0.28313436859495966 0.13170624744221976 0.0525453512766549 0.021111753158319105 0.0067451713955609645 0.003204270539718037 0.0010308107242263192 0.0002759210144794204 0.00013727805365387318 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 0.48641988659284513 0.2816173231471242 0.131541850061199 0.054793200248327956 0.016517701691156576 0.006757591781856257 0.0025425350750908644 0.0006383278085839443 2.279421641064226e-05 0.0003597432472224371 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 0.4307755159245372 0.2652713784080849 0.12753857957535653 0.05470396852881577 0.02049817309420563 0.00566559741247352 0.0007213846765465147 6.848024591311009e-05 -1.0 8.609308814924014e-05 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 0.43631324024956025 0.2639077825530567 0.13368737962742414 0.05213531603720763 0.020628860469743833 0.008268384844678654 0.0028599221013934375 0.00013059757129982714 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 0.45926287238219 0.2635824148883888 0.13104280996799478 0.055379812186041905 0.019255042561941074 0.007252095690246872 0.0018026593488140996 0.0003215836458542421 9.14840176000331e-06 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 0.4574378998400604 0.28714971179927723 0.1363507911051337 0.05010315954654347 0.017963278989571074 0.0058998176297971605 0.0021393135666168 0.00015677575033083482 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 0.4821442782978812 0.27704132233083506 0.14149074035662307 0.05546042815834048 0.016800649382269998 0.004096804603054233 0.0019161108398578026 0.0005289600253155307 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0 -1.0</lower_ww_bounds>
+      <upper_ww_bounds>2.306798078447855 1.4372426951013015 0.6628006975247303 0.2638260480490365 0.10479220416342819 0.03158625017874938 0.013135185878412529 0.0015016171796218643 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 2.3055892466950807 1.4312431280421012 0.6999935311310568 0.2754239704479878 0.09140620979127496 0.027788882436180776 0.007632716113146698 0.0012149386176318483 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 2.314747895653166 1.4288671837730256 0.6682811595168472 0.25173710831135515 0.08762925906456634 0.025483627259255386 0.013148820475765701 0.0016866212196013073 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 2.288629937523628 1.407474607357475 0.6802198981381123 0.2739644073614768 0.09901188449377762 0.036675872789564246 0.01033696473033213 0.00047647370429630714 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 2.369881491745159 1.4209530768523382 0.6378754950753944 0.2584601465098665 0.09595839373936176 0.03796517982353924 0.008744088157053638 0.00048391339548409945 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 2.3780099549279137 1.3864194573478497 0.6380401286267812 0.26259829058567763 0.11249480322475816 0.053168622966257545 0.021210355274573163 0.0022801556101332593 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 2.382959973596735 1.4443333472126108 0.6293187866990806 0.29094311879778284 0.10238156860372381 0.035715966220091315 0.011182041511257637 0.001976561890704237 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 2.3467436848034113 1.3590431069745064 0.6416727785211741 0.2757337177996917 0.10333701764735166 0.03945754361568573 0.00821775852703679 0.0032507083906766388 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 2.2693624655116684 1.412245710542148 0.637670853175783 0.27513750570946854 0.11525573202540434 0.04299651579303599 0.012541305597080901 0.00259265155615848 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 2.262922237661006 1.3419551233242126 0.6495816959398542 0.2721131854973884 0.09847947611735743 0.02676602480943759 0.007537349146920078 0.000799340449090029 0.0004436023940405703 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 2.2412339929914022 1.4066382350916795 0.6724930395384323 0.28051639095266717 0.1313716016709848 0.03442035954214652 0.016549695369367727 0.0026687271988374613 0.0006931901997327875 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 2.4378744750697434 1.4542933526581239 0.7106030329196139 0.3034054004818636 0.09733985234394739 0.03185512139731995 0.014255212633095843 0.006092210889057744 0.0014702270783573093 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 2.5 1.4260507756489118 0.6811153586160822 0.2915125994216997 0.11562367457576313 0.03700763919819398 0.012638178263719959 0.004254806157581241 0.0009106667287277384 3.9079889923977307e-05 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 2.385319884449209 1.4156718429747983 0.6585312372110987 0.2627267563832745 0.10555876579159552 0.03372585697780482 0.016021352698590185 0.005154053621131596 0.001379605072397102 0.000686390268269366 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 2.432099432964226 1.4080866157356209 0.657709250305995 0.2739660012416398 0.08258850845578287 0.03378795890928128 0.012712675375454322 0.0031916390429197216 0.0001139710820532113 0.0017987162361121855 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 2.1538775796226863 1.3263568920404245 0.6376928978767826 0.27351984264407886 0.10249086547102815 0.028327987062367603 0.0036069233827325737 0.0003424012295655504 -5.0 0.0004304654407462007 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 2.181566201247801 1.3195389127652835 0.6684368981371207 0.2606765801860381 0.10314430234871916 0.041341924223393264 0.014299610506967188 0.0006529878564991358 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 2.29631436191095 1.317912074441944 0.6552140498399739 0.27689906093020955 0.09627521280970537 0.03626047845123436 0.009013296744070498 0.0016079182292712106 4.574200880001655e-05 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 2.287189499200302 1.435748558996386 0.6817539555256685 0.25051579773271737 0.08981639494785537 0.029499088148985803 0.010696567833083998 0.0007838787516541741 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 2.410721391489406 1.3852066116541752 0.7074537017831153 0.2773021407917024 0.08400324691134999 0.020484023015271167 0.009580554199289014 0.0026448001265776534 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0 -5.0</upper_ww_bounds>
+      <survival_ratio>3.0</survival_ratio>
+      <max_split>10</max_split>
+      <weight_cutoff>1e-38</weight_cutoff>
+    </weight_windows>
+    <mesh id="1">
+      <dimension>20 20 1</dimension>
+      <lower_left>0.0 0.0 0.0</lower_left>
+      <upper_right>160.0 160.0 160.0</upper_right>
+    </mesh>
+    <shared_secondary_bank>false</shared_secondary_bank>
+    <weight_window_checkpoints>
+      <collision>true</collision>
+      <surface>true</surface>
+    </weight_window_checkpoints>
+  </settings>
+  <tallies>
+    <filter id="1" type="mesh">
+      <bins>1</bins>
+    </filter>
+    <tally id="1" name="flux">
+      <filters>1</filters>
+      <scores>flux</scores>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/weightwindows/survival_biasing/results_true.dat b/tests/regression_tests/weightwindows/survival_biasing/local/results_true.dat
similarity index 100%
rename from tests/regression_tests/weightwindows/survival_biasing/results_true.dat
rename to tests/regression_tests/weightwindows/survival_biasing/local/results_true.dat
diff --git a/tests/regression_tests/weightwindows/survival_biasing/inputs_true.dat b/tests/regression_tests/weightwindows/survival_biasing/shared/inputs_true.dat
similarity index 99%
rename from tests/regression_tests/weightwindows/survival_biasing/inputs_true.dat
rename to tests/regression_tests/weightwindows/survival_biasing/shared/inputs_true.dat
index d5aa135d4..bafff89c1 100644
--- a/tests/regression_tests/weightwindows/survival_biasing/inputs_true.dat
+++ b/tests/regression_tests/weightwindows/survival_biasing/shared/inputs_true.dat
@@ -51,6 +51,7 @@
       <lower_left>0.0 0.0 0.0</lower_left>
       <upper_right>160.0 160.0 160.0</upper_right>
     </mesh>
+    <shared_secondary_bank>true</shared_secondary_bank>
     <weight_window_checkpoints>
       <collision>true</collision>
       <surface>true</surface>
diff --git a/tests/regression_tests/weightwindows/survival_biasing/shared/results_true.dat b/tests/regression_tests/weightwindows/survival_biasing/shared/results_true.dat
new file mode 100644
index 000000000..11e5ffa77
--- /dev/null
+++ b/tests/regression_tests/weightwindows/survival_biasing/shared/results_true.dat
@@ -0,0 +1 @@
+d17a437262d3316985fba4b48e21a7fcd5f32ac2d96ef0e66849f567deaeadc1e0f18d5d0bf5e9cab4246dbf823e7f43f249a1f67e928b27ae8c70b89f3cefbf
\ No newline at end of file
diff --git a/tests/regression_tests/weightwindows/survival_biasing/test.py b/tests/regression_tests/weightwindows/survival_biasing/test.py
index 92604e338..c3a3e91a2 100644
--- a/tests/regression_tests/weightwindows/survival_biasing/test.py
+++ b/tests/regression_tests/weightwindows/survival_biasing/test.py
@@ -1,14 +1,16 @@
+from pathlib import Path
+
 import pytest
 import numpy as np
-
 import openmc
-from openmc.stats import Discrete, Point
+from openmc.utility_funcs import change_directory
 
 from tests.testing_harness import HashedPyAPITestHarness
 
 
-@pytest.fixture
-def model():
+def build_model(shared_secondary):
+    openmc.reset_auto_ids()
+
     # Material
     w = openmc.Material(name='Tungsten')
     w.add_element('W', 1.0)
@@ -38,13 +40,14 @@ def model():
     angle = openmc.stats.Monodirectional((1.0, 0.0, 0.0))
     energy = openmc.stats.Discrete([14.1e6], [1.0])
 
-    source = openmc.Source(space=space, angle=angle, energy=energy)
+    source = openmc.IndependentSource(space=space, angle=angle, energy=energy)
 
     settings = openmc.Settings()
     settings.run_mode = 'fixed source'
     settings.batches = 5
     settings.particles = 50
     settings.source = source
+    settings.shared_secondary_bank = shared_secondary
 
     model = openmc.Model(geometry=geometry, materials=materials, settings=settings)
 
@@ -61,7 +64,8 @@ def model():
     tallies = openmc.Tallies([flux_tally])
     model.tallies = tallies
 
-    lower_ww_bounds = np.loadtxt('ww_n.txt')
+    parent_dir = Path(__file__).parent
+    lower_ww_bounds = np.loadtxt(parent_dir / 'ww_n.txt')
 
     weight_windows = openmc.WeightWindows(mesh,
                                           lower_ww_bounds,
@@ -76,6 +80,12 @@ def model():
     return model
 
 
-def test_weight_windows_with_survival_biasing(model):
-    harness = HashedPyAPITestHarness('statepoint.5.h5', model)
-    harness.main()
+@pytest.mark.parametrize("shared_secondary,subdir", [
+    (False, "local"),
+    (True, "shared"),
+])
+def test_weight_windows_with_survival_biasing(shared_secondary, subdir):
+    with change_directory(subdir):
+        model = build_model(shared_secondary)
+        harness = HashedPyAPITestHarness('statepoint.5.h5', model)
+        harness.main()
diff --git a/tests/regression_tests/weightwindows/test.py b/tests/regression_tests/weightwindows/test.py
index c22ca1b75..1d3b063bd 100644
--- a/tests/regression_tests/weightwindows/test.py
+++ b/tests/regression_tests/weightwindows/test.py
@@ -1,14 +1,17 @@
+from pathlib import Path
+
 import pytest
 import numpy as np
 
 import openmc
 from openmc.stats import Discrete, Point
+from openmc.utility_funcs import change_directory
 
 from tests.testing_harness import HashedPyAPITestHarness
 
 
-@pytest.fixture
-def model():
+def build_model(shared_secondary):
+    openmc.reset_auto_ids()
     model = openmc.Model()
 
     # materials (M4 steel alloy)
@@ -43,6 +46,7 @@ def model():
     settings.batches = 2
     settings.max_history_splits = 200
     settings.photon_transport = True
+    settings.shared_secondary_bank = shared_secondary
     settings.weight_window_checkpoints = {'surface': True,
                                           'collision': True}
     space = Point((0.001, 0.001, 0.001))
@@ -71,10 +75,10 @@ def model():
 
     # weight windows
 
-    # load pre-generated weight windows
-    # (created using the same tally as above)
-    ww_n_lower_bnds = np.loadtxt('ww_n.txt')
-    ww_p_lower_bnds = np.loadtxt('ww_p.txt')
+    # load pre-generated weight windows from parent directory
+    parent_dir = Path(__file__).parent
+    ww_n_lower_bnds = np.loadtxt(parent_dir / 'ww_n.txt')
+    ww_p_lower_bnds = np.loadtxt(parent_dir / 'ww_p.txt')
 
     # create a mesh matching the one used
     # to generate the weight windows
@@ -104,9 +108,15 @@ def model():
     return model
 
 
-def test_weightwindows(model):
-    test = HashedPyAPITestHarness('statepoint.2.h5', model)
-    test.main()
+@pytest.mark.parametrize("shared_secondary,subdir", [
+    (False, "local"),
+    (True, "shared"),
+])
+def test_weightwindows(shared_secondary, subdir):
+    with change_directory(subdir):
+        model = build_model(shared_secondary)
+        test = HashedPyAPITestHarness('statepoint.2.h5', model)
+        test.main()
 
 
 def test_wwinp_cylindrical():
diff --git a/tests/regression_tests/weightwindows_pulse_height/__init__.py b/tests/regression_tests/weightwindows_pulse_height/__init__.py
new file mode 100644
index 000000000..e69de29bb
diff --git a/tests/regression_tests/weightwindows_pulse_height/local/inputs_true.dat b/tests/regression_tests/weightwindows_pulse_height/local/inputs_true.dat
new file mode 100644
index 000000000..4cd24d529
--- /dev/null
+++ b/tests/regression_tests/weightwindows_pulse_height/local/inputs_true.dat
@@ -0,0 +1,60 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material id="1">
+      <density value="3.7" units="g/cc"/>
+      <nuclide name="Na23" ao="1.0"/>
+      <nuclide name="I127" ao="1.0"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" name="inner sphere" material="1" region="-1" universe="1"/>
+    <cell id="2" name="outer sphere" material="void" region="1 -2" universe="1"/>
+    <surface id="1" type="sphere" coeffs="0.0 0.0 0.0 1"/>
+    <surface id="2" type="sphere" boundary="vacuum" coeffs="0.0 0.0 0.0 2"/>
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>100</particles>
+    <batches>5</batches>
+    <source type="independent" strength="1.0" particle="photon">
+      <energy type="discrete">
+        <parameters>1000000.0 1.0</parameters>
+      </energy>
+    </source>
+    <photon_transport>true</photon_transport>
+    <weight_windows id="1">
+      <mesh>1</mesh>
+      <particle_type>photon</particle_type>
+      <energy_bounds>0.0 2000000.0</energy_bounds>
+      <lower_ww_bounds>0.01</lower_ww_bounds>
+      <upper_ww_bounds>0.05</upper_ww_bounds>
+      <survival_ratio>3.0</survival_ratio>
+      <max_split>10</max_split>
+      <weight_cutoff>1e-38</weight_cutoff>
+    </weight_windows>
+    <mesh id="1">
+      <dimension>1 1 1</dimension>
+      <lower_left>-2 -2 -2</lower_left>
+      <upper_right>2 2 2</upper_right>
+    </mesh>
+    <shared_secondary_bank>false</shared_secondary_bank>
+    <weight_window_checkpoints>
+      <collision>true</collision>
+      <surface>true</surface>
+    </weight_window_checkpoints>
+    <max_history_splits>50</max_history_splits>
+  </settings>
+  <tallies>
+    <filter id="1" type="cell">
+      <bins>1</bins>
+    </filter>
+    <filter id="2" type="energy">
+      <bins>0.0 10000.0 20000.0 30000.0 40000.0 50000.0 60000.0 70000.0 80000.0 90000.0 100000.0 110000.0 120000.0 130000.0 140000.0 150000.0 160000.0 170000.0 180000.0 190000.0 200000.0 210000.0 220000.0 230000.0 240000.0 250000.0 260000.0 270000.0 280000.0 290000.0 300000.0 310000.0 320000.0 330000.0 340000.0 350000.0 360000.0 370000.0 380000.0 390000.0 400000.0 410000.0 420000.0 430000.0 440000.0 450000.0 460000.0 470000.0 480000.0 490000.0 500000.0 510000.0 520000.0 530000.0 540000.0 550000.0 560000.0 570000.0 580000.0 590000.0 600000.0 610000.0 620000.0 630000.0 640000.0 650000.0 660000.0 670000.0 680000.0 690000.0 700000.0 710000.0 720000.0 730000.0 740000.0 750000.0 760000.0 770000.0 780000.0 790000.0 800000.0 810000.0 820000.0 830000.0 840000.0 850000.0 860000.0 870000.0 880000.0 890000.0 900000.0 910000.0 920000.0 930000.0 940000.0 950000.0 960000.0 970000.0 980000.0 990000.0 1000000.0</bins>
+    </filter>
+    <tally id="1" name="pht tally">
+      <filters>1 2</filters>
+      <scores>pulse-height</scores>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/weightwindows_pulse_height/local/results_true.dat b/tests/regression_tests/weightwindows_pulse_height/local/results_true.dat
new file mode 100644
index 000000000..c57e8ff1c
--- /dev/null
+++ b/tests/regression_tests/weightwindows_pulse_height/local/results_true.dat
@@ -0,0 +1,201 @@
+tally 1:
+4.140000E+00
+3.443000E+00
+1.000000E-02
+1.000000E-04
+1.000000E-02
+1.000000E-04
+1.000000E-02
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+8.600000E-03
diff --git a/tests/regression_tests/weightwindows_pulse_height/shared/inputs_true.dat b/tests/regression_tests/weightwindows_pulse_height/shared/inputs_true.dat
new file mode 100644
index 000000000..8bb499a73
--- /dev/null
+++ b/tests/regression_tests/weightwindows_pulse_height/shared/inputs_true.dat
@@ -0,0 +1,60 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material id="1">
+      <density value="3.7" units="g/cc"/>
+      <nuclide name="Na23" ao="1.0"/>
+      <nuclide name="I127" ao="1.0"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" name="inner sphere" material="1" region="-1" universe="1"/>
+    <cell id="2" name="outer sphere" material="void" region="1 -2" universe="1"/>
+    <surface id="1" type="sphere" coeffs="0.0 0.0 0.0 1"/>
+    <surface id="2" type="sphere" boundary="vacuum" coeffs="0.0 0.0 0.0 2"/>
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>100</particles>
+    <batches>5</batches>
+    <source type="independent" strength="1.0" particle="photon">
+      <energy type="discrete">
+        <parameters>1000000.0 1.0</parameters>
+      </energy>
+    </source>
+    <photon_transport>true</photon_transport>
+    <weight_windows id="1">
+      <mesh>1</mesh>
+      <particle_type>photon</particle_type>
+      <energy_bounds>0.0 2000000.0</energy_bounds>
+      <lower_ww_bounds>0.01</lower_ww_bounds>
+      <upper_ww_bounds>0.05</upper_ww_bounds>
+      <survival_ratio>3.0</survival_ratio>
+      <max_split>10</max_split>
+      <weight_cutoff>1e-38</weight_cutoff>
+    </weight_windows>
+    <mesh id="1">
+      <dimension>1 1 1</dimension>
+      <lower_left>-2 -2 -2</lower_left>
+      <upper_right>2 2 2</upper_right>
+    </mesh>
+    <shared_secondary_bank>true</shared_secondary_bank>
+    <weight_window_checkpoints>
+      <collision>true</collision>
+      <surface>true</surface>
+    </weight_window_checkpoints>
+    <max_history_splits>50</max_history_splits>
+  </settings>
+  <tallies>
+    <filter id="1" type="cell">
+      <bins>1</bins>
+    </filter>
+    <filter id="2" type="energy">
+      <bins>0.0 10000.0 20000.0 30000.0 40000.0 50000.0 60000.0 70000.0 80000.0 90000.0 100000.0 110000.0 120000.0 130000.0 140000.0 150000.0 160000.0 170000.0 180000.0 190000.0 200000.0 210000.0 220000.0 230000.0 240000.0 250000.0 260000.0 270000.0 280000.0 290000.0 300000.0 310000.0 320000.0 330000.0 340000.0 350000.0 360000.0 370000.0 380000.0 390000.0 400000.0 410000.0 420000.0 430000.0 440000.0 450000.0 460000.0 470000.0 480000.0 490000.0 500000.0 510000.0 520000.0 530000.0 540000.0 550000.0 560000.0 570000.0 580000.0 590000.0 600000.0 610000.0 620000.0 630000.0 640000.0 650000.0 660000.0 670000.0 680000.0 690000.0 700000.0 710000.0 720000.0 730000.0 740000.0 750000.0 760000.0 770000.0 780000.0 790000.0 800000.0 810000.0 820000.0 830000.0 840000.0 850000.0 860000.0 870000.0 880000.0 890000.0 900000.0 910000.0 920000.0 930000.0 940000.0 950000.0 960000.0 970000.0 980000.0 990000.0 1000000.0</bins>
+    </filter>
+    <tally id="1" name="pht tally">
+      <filters>1 2</filters>
+      <scores>pulse-height</scores>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/weightwindows_pulse_height/shared/results_true.dat b/tests/regression_tests/weightwindows_pulse_height/shared/results_true.dat
new file mode 100644
index 000000000..c57e8ff1c
--- /dev/null
+++ b/tests/regression_tests/weightwindows_pulse_height/shared/results_true.dat
@@ -0,0 +1,201 @@
+tally 1:
+4.140000E+00
+3.443000E+00
+1.000000E-02
+1.000000E-04
+1.000000E-02
+1.000000E-04
+1.000000E-02
+1.000000E-04
+0.000000E+00
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+0.000000E+00
+0.000000E+00
+2.000000E-01
+8.600000E-03
diff --git a/tests/regression_tests/weightwindows_pulse_height/test.py b/tests/regression_tests/weightwindows_pulse_height/test.py
new file mode 100644
index 000000000..b6b49be26
--- /dev/null
+++ b/tests/regression_tests/weightwindows_pulse_height/test.py
@@ -0,0 +1,73 @@
+import numpy as np
+import openmc
+import pytest
+from openmc.utility_funcs import change_directory
+
+from tests.testing_harness import PyAPITestHarness
+
+
+@pytest.mark.parametrize("shared_secondary,subdir", [
+    (False, "local"),
+    (True, "shared"),
+])
+def test_weightwindows_pulse_height(shared_secondary, subdir):
+    with change_directory(subdir):
+        openmc.reset_auto_ids()
+        model = openmc.Model()
+
+        # Define materials (NaI scintillator)
+        NaI = openmc.Material()
+        NaI.set_density('g/cc', 3.7)
+        NaI.add_element('Na', 1.0)
+        NaI.add_element('I', 1.0)
+
+        model.materials = openmc.Materials([NaI])
+
+        # Define geometry: NaI sphere inside vacuum sphere
+        s1 = openmc.Sphere(r=1)
+        s2 = openmc.Sphere(r=2, boundary_type='vacuum')
+        inner_sphere = openmc.Cell(name='inner sphere', fill=NaI, region=-s1)
+        outer_sphere = openmc.Cell(name='outer sphere', region=+s1 & -s2)
+        model.geometry = openmc.Geometry([inner_sphere, outer_sphere])
+
+        # Define settings
+        model.settings.run_mode = 'fixed source'
+        model.settings.batches = 5
+        model.settings.particles = 100
+        model.settings.photon_transport = True
+        model.settings.shared_secondary_bank = shared_secondary
+        model.settings.max_history_splits = 50
+        model.settings.weight_window_checkpoints = {
+            'surface': True,
+            'collision': True,
+        }
+        model.settings.source = openmc.IndependentSource(
+            energy=openmc.stats.delta_function(1e6),
+            particle='photon'
+        )
+
+        # Define pulse-height tally
+        tally = openmc.Tally(name="pht tally")
+        tally.scores = ['pulse-height']
+        cell_filter = openmc.CellFilter(inner_sphere)
+        energy_filter = openmc.EnergyFilter(np.linspace(0, 1_000_000, 101))
+        tally.filters = [cell_filter, energy_filter]
+        model.tallies = [tally]
+
+        # Define weight windows on a simple mesh covering the geometry
+        ww_mesh = openmc.RegularMesh()
+        ww_mesh.lower_left = (-2, -2, -2)
+        ww_mesh.upper_right = (2, 2, 2)
+        ww_mesh.dimension = (1, 1, 1)
+
+        # Single energy bin for photons
+        e_bnds = [0.0, 2e6]
+
+        # Uniform weight window bounds (low enough to trigger some splitting)
+        lower_bounds = np.array([0.01])
+
+        ww = openmc.WeightWindows(ww_mesh, lower_bounds, None, 5.0, e_bnds, 'photon')
+        model.settings.weight_windows = [ww]
+
+        harness = PyAPITestHarness('statepoint.5.h5', model)
+        harness.main()
diff --git a/tests/unit_tests/weightwindows/test.py b/tests/unit_tests/weightwindows/test.py
index d6e509522..efa203b51 100644
--- a/tests/unit_tests/weightwindows/test.py
+++ b/tests/unit_tests/weightwindows/test.py
@@ -122,7 +122,8 @@ def model():
     return model
 
 
-def test_weightwindows(model, wws):
+@pytest.mark.parametrize("shared_secondary", [False, True])
+def test_weightwindows(model, wws, shared_secondary):
 
     ww_files = ('ww_n.txt', 'ww_p.txt')
     cwd = Path(__file__).parent.absolute()
@@ -131,6 +132,7 @@ def test_weightwindows(model, wws):
     with cdtemp(filepaths):
         # run once with variance reduction off
         model.settings.weight_windows_on = False
+        model.settings.shared_secondary_bank = shared_secondary
         analog_sp = model.run()
         os.rename(analog_sp, 'statepoint.analog.h5')
 
@@ -223,7 +225,8 @@ def test_lower_ww_bounds_shape():
     assert ww.lower_ww_bounds.shape == (2, 3, 4, 1)
 
 
-def test_photon_heating(run_in_tmpdir):
+@pytest.mark.parametrize("shared_secondary", [False, True])
+def test_photon_heating(run_in_tmpdir, shared_secondary):
     water = openmc.Material()
     water.add_nuclide('H1', 1.0)
     water.add_nuclide('O16', 2.0)
@@ -246,7 +249,8 @@ def test_photon_heating(run_in_tmpdir):
 
     model.settings.run_mode = 'fixed source'
     model.settings.batches = 5
-    model.settings.particles = 100
+    model.settings.particles = 101
+    model.settings.shared_secondary_bank = shared_secondary
 
     tally = openmc.Tally()
     tally.scores = ['heating']
@@ -260,7 +264,11 @@ def test_photon_heating(run_in_tmpdir):
     with openmc.StatePoint(sp_file) as sp:
         tally_mean = sp.tallies[tally.id].mean
 
-    # these values should be nearly identical
+    # Note: Our current physics model actually does allow this tally to
+    # occasionally go slightly negative. However, larger bugs can
+    # make this more common. We have selected a particle count for
+    # this test that happens to produce no negative tallies for both
+    # the shared and non-shared secondary PRNG streams.
     assert np.all(tally_mean >= 0)
 
 

From 3c7a030d43d79a9784982bc37a1c9c87cba5a375 Mon Sep 17 00:00:00 2001
From: Hridoy Kabiraj <rudrokabiraj@gmail.com>
Date: Thu, 21 May 2026 00:49:00 +0600
Subject: [PATCH 2606/2654] Guard average molar mass and validate materials
 depletion inputs (#3941)

---
 openmc/material.py                 | 13 +++++++-
 tests/unit_tests/test_materials.py | 49 ++++++++++++++++++++++++++++++
 2 files changed, 61 insertions(+), 1 deletion(-)

diff --git a/openmc/material.py b/openmc/material.py
index 86cc3d793..eded9c3fa 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -296,6 +296,8 @@ class Material(IDManagerMixin):
                 mass += nuc.percent
 
         # Compute and return the molar mass
+        if moles == 0.0:
+            raise ValueError("Material has no nuclides; cannot compute molar mass")
         return mass / moles
 
     @property
@@ -2287,7 +2289,7 @@ class Materials(cv.CheckedList):
         multigroup_fluxes: Sequence[Sequence[float]]
             Energy-dependent multigroup flux values, where each sublist corresponds
             to a specific material. Will be normalized so that it sums to 1.
-        energy_group_structures': Sequence[Sequence[float] | str]
+        energy_group_structures: Sequence[Sequence[float] | str]
             Energy group boundaries in [eV] or the name of the group structure.
         timesteps : iterable of float or iterable of tuple
             Array of timesteps. Note that values are not cumulative. The units are
@@ -2322,6 +2324,11 @@ class Materials(cv.CheckedList):
         for mat in self:
             mat.depletable = True
 
+        if len(multigroup_fluxes) != len(self):
+            raise ValueError("multigroup_fluxes length must match number of materials")
+        if len(energy_group_structures) != len(self):
+            raise ValueError("energy_group_structures length must match number of materials")
+
         chain = _get_chain(chain_file)
 
         # Create MicroXS objects for all materials
@@ -2332,6 +2339,10 @@ class Materials(cv.CheckedList):
             for material, flux, energy in zip(
                 self, multigroup_fluxes, energy_group_structures
             ):
+                if material.volume is None:
+                    raise ValueError(
+                        f"Material {material.id} has no volume; cannot deplete"
+                    )
                 temperature = material.temperature or 293.6
                 micro_xs = openmc.deplete.MicroXS.from_multigroup_flux(
                     energies=energy,
diff --git a/tests/unit_tests/test_materials.py b/tests/unit_tests/test_materials.py
index 5a382b777..6620402fd 100644
--- a/tests/unit_tests/test_materials.py
+++ b/tests/unit_tests/test_materials.py
@@ -1,5 +1,7 @@
 from pathlib import Path
 
+import pytest
+
 import openmc
 from openmc.deplete import Chain
 
@@ -78,3 +80,50 @@ def test_export_duplicate_materials_to_xml(run_in_tmpdir):
 
     materials_in = openmc.Materials.from_xml("materials.xml")
     assert len(materials_in) == 2
+
+
+def test_materials_deplete_length_mismatch():
+    mats = openmc.Materials([openmc.Material()])
+
+    with pytest.raises(ValueError, match="multigroup_fluxes length"):
+        mats.deplete(
+            multigroup_fluxes=[],
+            energy_group_structures=["VITAMIN-J-42"],
+            timesteps=[1.0],
+            source_rates=1.0,
+        )
+
+    with pytest.raises(ValueError, match="energy_group_structures length"):
+        mats.deplete(
+            multigroup_fluxes=[[1.0]],
+            energy_group_structures=[],
+            timesteps=[1.0],
+            source_rates=1.0,
+        )
+
+
+def test_materials_deplete_missing_volume(monkeypatch):
+    mat = openmc.Material()
+    mat.add_nuclide("Ni58", 1.0)
+    mat.set_density("g/cm3", 7.87)
+
+    mats = openmc.Materials([mat])
+
+    class DummySession:
+        def __enter__(self):
+            return self
+
+        def __exit__(self, exc_type, exc, tb):
+            return False
+
+    monkeypatch.setattr(openmc.lib, "TemporarySession", DummySession)
+
+    chain = Path(__file__).parents[1] / "chain_ni.xml"
+    with pytest.raises(ValueError, match="has no volume"):
+        mats.deplete(
+            multigroup_fluxes=[[1.0]],
+            energy_group_structures=["VITAMIN-J-42"],
+            timesteps=[1.0],
+            source_rates=1.0,
+            chain_file=chain,
+        )

From 66497e76b11653554676c2ac305a14f764d82c12 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Wed, 20 May 2026 14:01:21 -0500
Subject: [PATCH 2607/2654] Support writing of hex elements to VTKHDF format.
 (#3623)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 docs/source/usersguide/processing.rst |  10 ++-
 openmc/mesh.py                        | 107 ++++++++++++--------------
 tests/unit_tests/test_mesh.py         |  45 ++++++++++-
 tests/unit_tests/test_mesh_hexes.exo  |   1 +
 4 files changed, 102 insertions(+), 61 deletions(-)
 create mode 120000 tests/unit_tests/test_mesh_hexes.exo

diff --git a/docs/source/usersguide/processing.rst b/docs/source/usersguide/processing.rst
index fe6ab0826..ed3e8564a 100644
--- a/docs/source/usersguide/processing.rst
+++ b/docs/source/usersguide/processing.rst
@@ -97,7 +97,15 @@ VTK Mesh File Generation
 ------------------------
 
 VTK files of OpenMC meshes can be created using the
-:meth:`openmc.Mesh.write_data_to_vtk`  method. Data can be applied to the
+:meth:`openmc.Mesh.write_data_to_vtk` method. This method supports several VTK
+formats depending on the mesh type. Structured meshes
+(:class:`~openmc.RegularMesh`, :class:`~openmc.RectilinearMesh`,
+:class:`~openmc.CylindricalMesh`, and :class:`~openmc.SphericalMesh`) can be
+exported to legacy VTK format (``.vtk``). The :class:`~openmc.UnstructuredMesh`
+class supports VTK unstructured grid formats (``.vtu``) as well as an HDF5-based
+format (``.vtkhdf``) that does not require the ``vtk`` module to write.
+
+Data can be applied to the
 elements of the resulting mesh from mesh filter objects. This data can be
 provided either as a flat array or, in the case of structured meshes
 (:class:`~openmc.RegularMesh`, :class:`~openmc.RectilinearMesh`,
diff --git a/openmc/mesh.py b/openmc/mesh.py
index 4129913d8..61effd850 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -2738,7 +2738,8 @@ class UnstructuredMesh(MeshBase):
     _UNSUPPORTED_ELEM = -1
     _LINEAR_TET = 0
     _LINEAR_HEX = 1
-    _VTK_TETRA = 10
+    _VTK_TET = 10
+    _VTK_HEX = 12
 
     def __init__(self, filename: PathLike, library: str, mesh_id: int | None = None,
                  name: str = '', length_multiplier: float = 1.0,
@@ -3049,7 +3050,9 @@ class UnstructuredMesh(MeshBase):
                 n_skipped += 1
                 continue
             else:
-                raise RuntimeError(f"Invalid element type {elem_type} found")
+                raise RuntimeError(
+                    f"Invalid element type {elem_type} found in mesh {self.id}"
+                )
 
             for i, c in enumerate(conn):
                 if c == -1:
@@ -3106,35 +3109,42 @@ class UnstructuredMesh(MeshBase):
         datasets: dict | None = None,
         volume_normalization: bool = True,
     ):
-        def append_dataset(dset, array):
-            """Convenience function to append data to an HDF5 dataset"""
-            origLen = dset.shape[0]
-            dset.resize(origLen + array.shape[0], axis=0)
-            dset[origLen:] = array
+        # This writer supports linear tetrahedra and linear hexahedra elements
+        conn_list = []           # flattened connectivity ids
+        cell_sizes = []          # number of points per cell
+        vtk_types = []           # VTK cell types per cell (uint8)
+        n_skipped = 0
 
-        if self.library != "moab":
-            raise NotImplementedError("VTKHDF output is only supported for MOAB meshes")
-
-        # the self.connectivity contains arrays of length 8 to support hex
-        # elements as well, in the case of tetrahedra mesh elements, the
-        # last 4 values are -1 and are removed
-        trimmed_connectivity = []
-        for cell in self.connectivity:
-            # Find the index of the first -1 value, if any
-            first_negative_index = np.where(cell == -1)[0]
-            if first_negative_index.size > 0:
-                # Slice the array up to the first -1 value
-                trimmed_connectivity.append(cell[: first_negative_index[0]])
+        for conn, etype in zip(self.connectivity, self.element_types):
+            if etype == self._LINEAR_TET:
+                ids = conn[:4]
+                vtk_types.append(self._VTK_TET)
+            elif etype == self._LINEAR_HEX:
+                ids = conn[:8]
+                vtk_types.append(self._VTK_HEX)
+            elif etype == self._UNSUPPORTED_ELEM:
+                n_skipped += 1
+                continue
             else:
-                # No -1 values, append the whole cell
-                trimmed_connectivity.append(cell)
-        trimmed_connectivity = np.array(trimmed_connectivity, dtype="int32").flatten()
+                raise RuntimeError(
+                    f"Invalid element type {etype} found in mesh {self.id}"
+                )
+            conn_list.extend(ids.tolist())
+            cell_sizes.append(len(ids))
 
-        # MOAB meshes supports tet elements only so we know it has 4 points per cell
-        points_per_cell = 4
+        if n_skipped > 0:
+            warnings.warn(
+                f"{n_skipped} elements were not written because "
+                "they are not of type linear tet/hex"
+            )
 
-        # offsets are the indices of the first point of each cell in the array of points
-        offsets = np.arange(0, self.n_elements * points_per_cell + 1, points_per_cell)
+        connectivity = np.asarray(conn_list, dtype=np.int64)
+
+        # Offsets must be length (numCells + 1) with a leading 0 and
+        # cumulative end-indices thereafter, per VTK's layout
+        cell_sizes_arr = np.asarray(cell_sizes, dtype=np.int64)
+        offsets = np.zeros(cell_sizes_arr.size + 1, dtype=np.int64)
+        np.cumsum(cell_sizes_arr, out=offsets[1:])
 
         for name, data in datasets.items():
             if data.shape != self.dimension:
@@ -3156,42 +3166,27 @@ class UnstructuredMesh(MeshBase):
                 dtype=h5py.string_dtype("ascii", len(ascii_type)),
             )
 
-            # create hdf5 file structure
-            root.create_dataset("NumberOfPoints", (0,), maxshape=(None,), dtype="i8")
-            root.create_dataset("Types", (0,), maxshape=(None,), dtype="uint8")
-            root.create_dataset("Points", (0, 3), maxshape=(None, 3), dtype="f")
-            root.create_dataset(
-                "NumberOfConnectivityIds", (0,), maxshape=(None,), dtype="i8"
-            )
-            root.create_dataset("NumberOfCells", (0,), maxshape=(None,), dtype="i8")
-            root.create_dataset("Offsets", (0,), maxshape=(None,), dtype="i8")
-            root.create_dataset("Connectivity", (0,), maxshape=(None,), dtype="i8")
+            # Create HDF5 file structure compliant with VTKHDF UnstructuredGrid
+            n_points = int(len(self.vertices))
+            n_cells = int(len(cell_sizes))
+            n_conn_ids = int(len(connectivity))
 
-            append_dataset(root["NumberOfPoints"], np.array([len(self.vertices)]))
-            append_dataset(root["Points"], self.vertices)
-            append_dataset(
-                root["NumberOfConnectivityIds"],
-                np.array([len(trimmed_connectivity)]),
-            )
-            append_dataset(root["Connectivity"], trimmed_connectivity)
-            append_dataset(root["NumberOfCells"], np.array([self.n_elements]))
-            append_dataset(root["Offsets"], offsets)
-
-            append_dataset(
-                root["Types"], np.full(self.n_elements, self._VTK_TETRA, dtype="uint8")
-            )
+            root.create_dataset("NumberOfPoints", data=(n_points,), dtype="i8")
+            root.create_dataset("NumberOfCells", data=(n_cells,), dtype="i8")
+            root.create_dataset("NumberOfConnectivityIds", data=(n_conn_ids,), dtype="i8")
+            root.create_dataset("Points", data=self.vertices.astype(np.float64, copy=False), dtype="f8")
+            root.create_dataset("Types", data=np.asarray(vtk_types, dtype=np.uint8), dtype="uint8")
+            root.create_dataset("Offsets", data=offsets.astype("i8"), dtype="i8")
+            root.create_dataset("Connectivity", data=connectivity.astype("i8"), dtype="i8")
 
             cell_data_group = root.create_group("CellData")
 
             for name, data in datasets.items():
-
-                cell_data_group.create_dataset(
-                    name, (0,), maxshape=(None,), dtype="float64", chunks=True
-                )
-
                 if volume_normalization:
                     data /= self.volumes
-                append_dataset(cell_data_group[name], data)
+                cell_data_group.create_dataset(
+                    name, data=data, dtype="float64", chunks=True
+                )
 
     @classmethod
     def from_hdf5(cls, group: h5py.Group, mesh_id: int, name: str):
diff --git a/tests/unit_tests/test_mesh.py b/tests/unit_tests/test_mesh.py
index 0b28bdfbe..85cb68a83 100644
--- a/tests/unit_tests/test_mesh.py
+++ b/tests/unit_tests/test_mesh.py
@@ -490,13 +490,28 @@ def test_umesh(run_in_tmpdir, simple_umesh, export_type):
         simple_umesh.write_data_to_vtk(datasets={'mean': ref_data[:-2]}, filename=filename)
 
 
-@pytest.mark.skipif(not openmc.lib._dagmc_enabled(), reason="DAGMC not enabled.")
-def test_write_vtkhdf(request, run_in_tmpdir):
+vtkhdf_tests = [
+    (
+        Path("test_mesh_dagmc_tets.vtk"),
+        "moab"
+    ),
+    (
+        Path("test_mesh_hexes.exo"),
+        "libmesh"
+    )
+]
+@pytest.mark.parametrize('mesh_file, mesh_library', vtkhdf_tests)
+def test_write_vtkhdf(mesh_file, mesh_library, request, run_in_tmpdir):
     """Performs a minimal UnstructuredMesh simulation, reads in the resulting
     statepoint file and writes the mesh data to vtk and vtkhdf files. It is
     necessary to read in the unstructured mesh from a statepoint file to ensure
     it has all the required attributes
     """
+    if mesh_library == 'moab' and not openmc.lib._dagmc_enabled():
+        pytest.skip("DAGMC not enabled.")
+    if mesh_library == 'libmesh' and not openmc.lib._libmesh_enabled():
+        pytest.skip("LibMesh not enabled.")
+
     model = openmc.Model()
 
     surf1 = openmc.Sphere(r=1000.0, boundary_type="vacuum")
@@ -504,8 +519,8 @@ def test_write_vtkhdf(request, run_in_tmpdir):
     model.geometry = openmc.Geometry([cell1])
 
     umesh = openmc.UnstructuredMesh(
-        request.path.parent / "test_mesh_dagmc_tets.vtk",
-        "moab",
+        request.path.parent / mesh_file,
+        mesh_library,
         mesh_id = 1
     )
     mesh_filter = openmc.MeshFilter(umesh)
@@ -514,6 +529,8 @@ def test_write_vtkhdf(request, run_in_tmpdir):
     mesh_tally = openmc.Tally(name="test_tally")
     mesh_tally.filters = [mesh_filter]
     mesh_tally.scores = ["flux"]
+    if mesh_library == "libmesh":
+        mesh_tally.estimator = "collision"
 
     model.tallies = [mesh_tally]
 
@@ -556,6 +573,26 @@ def test_write_vtkhdf(request, run_in_tmpdir):
     with h5py.File("test_mesh.vtkhdf", "r"):
         ...
 
+    import vtk
+    reader = vtk.vtkHDFReader()
+    reader.SetFileName("test_mesh.vtkhdf")
+    reader.Update()
+
+    # Get mean from file and make sure it matches original data
+    num_elements = reader.GetOutput().GetNumberOfCells()
+    assert num_elements == umesh_from_sp.n_elements
+
+    num_vertices = reader.GetOutput().GetNumberOfPoints()
+    assert num_vertices == umesh_from_sp.vertices.shape[0]
+
+    arr = reader.GetOutput().GetCellData().GetArray("mean")
+    mean = np.array([arr.GetTuple1(i) for i in range(my_tally.mean.size)])
+    np.testing.assert_almost_equal(mean, my_tally.mean.flatten()/umesh_from_sp.volumes)
+
+    arr = reader.GetOutput().GetCellData().GetArray("std_dev")
+    std_dev = np.array([arr.GetTuple1(i) for i in range(my_tally.std_dev.size)])
+    np.testing.assert_almost_equal(std_dev, my_tally.std_dev.flatten()/umesh_from_sp.volumes)
+
 
 def test_mesh_get_homogenized_materials():
     """Test the get_homogenized_materials method"""
diff --git a/tests/unit_tests/test_mesh_hexes.exo b/tests/unit_tests/test_mesh_hexes.exo
new file mode 120000
index 000000000..272da92a4
--- /dev/null
+++ b/tests/unit_tests/test_mesh_hexes.exo
@@ -0,0 +1 @@
+../regression_tests/unstructured_mesh/test_mesh_hexes.exo
\ No newline at end of file

From 7d09a12606850b37d57cb61372ad2edc4ed327c6 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Wed, 20 May 2026 16:43:21 -0500
Subject: [PATCH 2608/2654] DAGMC Cell Override Updates (#3888)

Co-authored-by: Claude Sonnet 4.6 <noreply@anthropic.com>
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 docs/source/io_formats/geometry.rst  |  61 +++++--
 include/openmc/cell.h                |  24 +++
 include/openmc/dagmc.h               |  19 +-
 openmc/dagmc.py                      | 230 ++++++++++++++----------
 openmc/model/model.py                |   2 +
 src/cell.cpp                         |  94 ++++++----
 src/dagmc.cpp                        | 227 +++++++++++++++++++-----
 tests/unit_tests/dagmc/test_model.py | 253 +++++++++++++++++++--------
 tests/unit_tests/test_cell.py        |  43 +++++
 9 files changed, 689 insertions(+), 264 deletions(-)

diff --git a/docs/source/io_formats/geometry.rst b/docs/source/io_formats/geometry.rst
index cef3bb79c..60ff0afae 100644
--- a/docs/source/io_formats/geometry.rst
+++ b/docs/source/io_formats/geometry.rst
@@ -406,24 +406,55 @@ Each ``<dagmc_universe>`` element can have the following attributes or sub-eleme
 
     *Default*: None
 
-  :material_overrides:
-    This element contains information on material overrides to be applied to the
-    DAGMC universe. It has the following attributes and sub-elements:
+  :cell:
+    Zero or more ``<cell>`` sub-elements may appear to override properties of
+    individual DAGMC volumes. Each ``<cell>`` element supports the following
+    attributes and sub-elements:
 
-    :cell:
-      Material override information for a single cell. It contains the following
-      attributes and sub-elements:
+    :id:
+      The integer cell ID in the DAGMC geometry to override. Required.
 
-      :id:
-        The cell ID in the DAGMC geometry for which the material override will
-        apply.
+    :name:
+      An optional string label for the cell.
 
-      :materials:
-        A list of material IDs that will apply to instances of the cell. If the
-        list contains only one ID, it will replace the original material
-        assignment of all instances of the DAGMC cell. If the list contains more
-        than one material, each material ID of the list will be assigned to the
-        various instances of the DAGMC cell.
+      *Default*: None
+
+    :material:
+      The material ID to assign to this cell. Use ``void`` for vacuum. Multiple
+      space-separated IDs may be given to specify a distribmat (distributed
+      material) assignment. Required.
+
+    :temperature:
+      Temperature(s) in [K] to assign to the cell. Must be ≥ 0. Multiple
+      space-separated values may be given.
+
+      *Default*: None
+
+    :density:
+      Density in [g/cm³] to assign to the cell. Must be > 0. Requires a non-void
+      material fill. Multiple space-separated values may be given.
+
+      *Default*: None
+
+    :volume:
+      Volume of the cell in [cm³].
+
+      .. note:: DAGMC can compute cell volumes exactly from the triangulated
+                mesh surfaces. Specifying a manual volume risks inconsistency
+                with that capability.
+
+      *Default*: None
+
+    The following standard ``<cell>`` attributes are **not** supported inside
+    ``<dagmc_universe>`` and will raise an error if present: ``region``,
+    ``fill``, ``universe``, ``translation``, ``rotation``.
+
+    .. deprecated::
+      The ``<material_overrides>`` sub-element (containing ``<cell_override>``
+      children with ``<material_ids>``) is deprecated. A deprecation warning is
+      emitted and the overrides are converted to the ``<cell>`` format at parse
+      time. It is an error to specify both ``<material_overrides>`` and
+      ``<cell>`` sub-elements on the same ``<dagmc_universe>``.
 
     *Default*: None
 
diff --git a/include/openmc/cell.h b/include/openmc/cell.h
index 26c34ebd4..1a27ad516 100644
--- a/include/openmc/cell.h
+++ b/include/openmc/cell.h
@@ -145,6 +145,30 @@ private:
   bool simple_; //!< Does the region contain only intersections?
 };
 
+//==============================================================================
+// XML parsing helpers for <cell> nodes
+//==============================================================================
+
+//! Parse material IDs from a <cell> XML node.
+//! \param node XML node containing a "material" attribute or child element
+//! \param cell_id Cell ID used in error messages
+//! \return Vector of material IDs (MATERIAL_VOID for "void")
+vector<int32_t> parse_cell_material_xml(pugi::xml_node node, int32_t cell_id);
+
+//! Parse temperatures in [K] from a <cell> XML node.
+//! Validates that all values are non-negative and the list is non-empty.
+//! \param node XML node containing a "temperature" attribute or child element
+//! \param cell_id Cell ID used in error messages
+//! \return Vector of temperatures in [K]
+vector<double> parse_cell_temperature_xml(pugi::xml_node node, int32_t cell_id);
+
+//! Parse densities in [g/cm³] from a <cell> XML node.
+//! Validates that all values are positive and the list is non-empty.
+//! \param node XML node containing a "density" attribute or child element
+//! \param cell_id Cell ID used in error messages
+//! \return Vector of densities in [g/cm³]
+vector<double> parse_cell_density_xml(pugi::xml_node node, int32_t cell_id);
+
 //==============================================================================
 
 class Cell {
diff --git a/include/openmc/dagmc.h b/include/openmc/dagmc.h
index 0e27402a1..858636c0b 100644
--- a/include/openmc/dagmc.h
+++ b/include/openmc/dagmc.h
@@ -94,6 +94,10 @@ private:
 class DAGUniverse : public Universe {
 
 public:
+  using MaterialOverrides = std::unordered_map<int32_t, vector<int32_t>>;
+  using TemperatureOverrides = std::unordered_map<int32_t, vector<double>>;
+  using DensityOverrides = std::unordered_map<int32_t, vector<double>>;
+
   explicit DAGUniverse(pugi::xml_node node);
 
   //! Create a new DAGMC universe
@@ -112,6 +116,9 @@ public:
   //! Initialize the DAGMC accel. data structures, indices, material
   //! assignments, etc.
   void initialize();
+  void initialize(const MaterialOverrides& material_overrides,
+    const TemperatureOverrides& temperature_overrides,
+    const DensityOverrides& density_overrides = {});
 
   //! Reads UWUW materials and returns an ID map
   void read_uwuw_materials();
@@ -146,7 +153,8 @@ public:
 
   //! Assign a material overriding normal assignement to a cell
   //! \param[in] c The OpenMC cell to which the material is assigned
-  void override_assign_material(std::unique_ptr<DAGCell>& c) const;
+  void override_assign_material(std::unique_ptr<DAGCell>& c,
+    const MaterialOverrides& material_overrides) const;
 
   //! Return the index into the model cells vector for a given DAGMC volume
   //! handle in the universe
@@ -187,7 +195,9 @@ private:
   void set_id();        //!< Deduce the universe id from model::universes
   void init_dagmc();    //!< Create and initialise DAGMC pointer
   void init_metadata(); //!< Create and initialise dagmcMetaData pointer
-  void init_geometry(); //!< Create cells and surfaces from DAGMC entities
+  void init_geometry(const MaterialOverrides& material_overrides,
+    const TemperatureOverrides& temperature_overrides,
+    const DensityOverrides& density_overrides);
 
   std::string
     filename_; //!< Name of the DAGMC file used to create this universe
@@ -201,11 +211,6 @@ private:
                              //!< generate new material IDs for the universe
   bool has_graveyard_; //!< Indicates if the DAGMC geometry has a "graveyard"
                        //!< volume
-  std::unordered_map<int32_t, vector<int32_t>>
-    material_overrides_; //!< Map of material overrides
-                         //!< keys correspond to the DAGMCCell id
-                         //!< values are a list of material ids used
-                         //!< for the override
 };
 
 //==============================================================================
diff --git a/openmc/dagmc.py b/openmc/dagmc.py
index fd4258225..75ead5e43 100644
--- a/openmc/dagmc.py
+++ b/openmc/dagmc.py
@@ -36,12 +36,6 @@ class DAGMCUniverse(openmc.UniverseBase):
     auto_mat_ids : bool
         Set IDs automatically on initialization (True)  or report overlaps in ID
         space between OpenMC and UWUW materials (False)
-    material_overrides : dict, optional
-        A dictionary of material overrides. The keys are material name strings
-        and the values are Iterables of openmc.Material objects. If a material
-        name is found in the DAGMC file, the material will be replaced with the
-        openmc.Material object in the value.
-
     Attributes
     ----------
     id : int
@@ -78,15 +72,6 @@ class DAGMCUniverse(openmc.UniverseBase):
         The number of surfaces in the model.
 
         .. versionadded:: 0.13.2
-    material_overrides : dict
-        A dictionary of material overrides. Keys are cell IDs; values are
-        iterables of :class:`openmc.Material` objects. The material assignment
-        of each DAGMC cell ID key will be replaced with the
-        :class:`~openmc.Material` object in the value. If the value contains
-        multiple :class:`~openmc.Material` objects, each Material in the list
-        will be assigned to the corresponding instance of the cell.
-
-        .. versionadded:: 0.15.1
     """
 
     def __init__(self,
@@ -94,16 +79,12 @@ class DAGMCUniverse(openmc.UniverseBase):
                  universe_id=None,
                  name='',
                  auto_geom_ids=False,
-                 auto_mat_ids=False,
-                 material_overrides=None):
+                 auto_mat_ids=False):
         super().__init__(universe_id, name)
         # Initialize class attributes
         self.filename = filename
         self.auto_geom_ids = auto_geom_ids
         self.auto_mat_ids = auto_mat_ids
-        self._material_overrides = {}
-        if material_overrides is not None:
-            self.material_overrides = material_overrides
 
     def __repr__(self):
         string = super().__repr__()
@@ -130,47 +111,17 @@ class DAGMCUniverse(openmc.UniverseBase):
 
     @property
     def material_overrides(self):
-        return self._material_overrides
+        raise AttributeError(
+            "DAGMCUniverse.material_overrides has been removed. Use "
+            "DAGMCCell objects added via add_cell() to manage per-cell "
+            "material assignments.")
 
     @material_overrides.setter
     def material_overrides(self, val):
-        cv.check_type('material overrides', val, Mapping)
-        for key, value in val.items():
-            self.add_material_override(key, value)
-
-    def replace_material_assignment(self, material_name: str, material: openmc.Material):
-        """Replace a material assignment within the DAGMC universe.
-
-        Replace the material assignment of all cells filled with a material in
-        the DAGMC universe. The universe must be synchronized in an initialized
-        Model (see :meth:`~openmc.DAGMCUniverse.sync_dagmc_cells`) before
-        calling this method.
-
-        .. versionadded:: 0.15.1
-
-        Parameters
-        ----------
-        material_name : str
-            Material name to replace
-        material : openmc.Material
-            Material to replace the material_name with
-
-        """
-        if material_name not in self.material_names:
-            raise ValueError(
-                f"No material with name '{material_name}' found in the DAGMC universe")
-
-        if not self.cells:
-            raise RuntimeError("This DAGMC universe has not been synchronized "
-                               "on an initialized Model.")
-
-        for cell in self.cells.values():
-            if cell.fill is None:
-                continue
-            if isinstance(cell.fill, openmc.Iterable):
-                cell.fill = list(map(lambda x: material if x.name == material_name else x, cell.fill))
-            else:
-                cell.fill = material if cell.fill.name == material_name else cell.fill
+        raise AttributeError(
+            "DAGMCUniverse.material_overrides has been removed. Use "
+            "DAGMCCell objects added via add_cell() to manage per-cell "
+            "material assignments.")
 
     def add_material_override(self, key, overrides=None):
         """Add a material override to the universe.
@@ -201,7 +152,10 @@ class DAGMCUniverse(openmc.UniverseBase):
         if key not in self.cells:
             raise ValueError(f"Cell ID '{key}' not found in DAGMC universe")
 
-        self._material_overrides[key] = overrides
+        if len(overrides) == 1:
+            self.cells[key].fill = overrides[0]
+        else:
+            self.cells[key].fill = list(overrides)
 
     @property
     def auto_geom_ids(self):
@@ -290,12 +244,6 @@ class DAGMCUniverse(openmc.UniverseBase):
 
         memo.add(self)
 
-        # Ensure that the material overrides are up-to-date
-        for cell in self.cells.values():
-            if cell.fill is None:
-                continue
-            self.add_material_override(cell, cell.fill)
-
         # Set xml element values
         dagmc_element = ET.Element('dagmc_universe')
         dagmc_element.set('id', str(self.id))
@@ -307,17 +255,10 @@ class DAGMCUniverse(openmc.UniverseBase):
         if self.auto_mat_ids:
             dagmc_element.set('auto_mat_ids', 'true')
         dagmc_element.set('filename', str(self.filename))
-        if self._material_overrides:
-            mat_element = ET.Element('material_overrides')
-            for key in self._material_overrides:
-                cell_overrides = ET.Element('cell_override')
-                cell_overrides.set("id", str(key))
-                material_element = ET.Element('material_ids')
-                material_element.text = ' '.join(
-                    str(t.id) for t in self._material_overrides[key])
-                cell_overrides.append(material_element)
-                mat_element.append(cell_overrides)
-            dagmc_element.append(mat_element)
+        if self.cells:
+            for cell in self.cells.values():
+                cell_element = cell.create_xml_subelement(xml_element, memo)
+                dagmc_element.append(cell_element)
         xml_element.append(dagmc_element)
 
     def bounding_region(
@@ -442,7 +383,7 @@ class DAGMCUniverse(openmc.UniverseBase):
         return out
 
     @classmethod
-    def from_xml_element(cls, elem, mats = None):
+    def from_xml_element(cls, elem, mats=None):
         """Generate DAGMC universe from XML element
 
         Parameters
@@ -471,21 +412,56 @@ class DAGMCUniverse(openmc.UniverseBase):
         out.auto_geom_ids = bool(get_text(elem, "auto_geom_ids"))
         out.auto_mat_ids = bool(get_text(elem, "auto_mat_ids"))
 
-        el_mat_override = elem.find('material_overrides')
-        if el_mat_override is not None:
-            if mats is None:
-                raise ValueError("Material overrides found in DAGMC universe "
-                                 "but no materials were provided to populate "
-                                 "the mapping.")
-            out._material_overrides = {}
-            for elem in el_mat_override.findall('cell_override'):
-                cell_id = int(get_text(elem, 'id'))
-                mat_ids = get_elem_list(elem, "material_ids", str) or []
-                mat_objs = [mats[mat_id] for mat_id in mat_ids]
-                out._material_overrides[cell_id] = mat_objs
+        has_overrides = elem.find('material_overrides') is not None
+        has_cells = elem.find('cell') is not None
+
+        if has_overrides and has_cells:
+            raise ValueError(
+                "DAGMCUniverse cannot specify both <material_overrides> and "
+                "<cell> sub-elements. Use <cell> elements only.")
+
+        if has_overrides:
+            warnings.warn(
+                "DAGMCUniverse <material_overrides> is deprecated and will be "
+                "removed in a future version. Use nested <cell> elements "
+                "instead.", DeprecationWarning, stacklevel=2)
+            out._parse_legacy_material_overrides(elem, mats)
+        elif has_cells:
+            out._parse_cell_overrides(elem, mats)
 
         return out
 
+    def _parse_legacy_material_overrides(self, elem, mats):
+        """Parse the deprecated <material_overrides> XML format and populate
+        the universe with equivalent DAGMCCell objects."""
+        if mats is None:
+            raise ValueError(
+                "DAGMC material overrides found but no materials were "
+                "provided to populate the mapping.")
+        mo_elem = elem.find('material_overrides')
+        for co_elem in mo_elem.findall('cell_override'):
+            cell_id = int(get_text(co_elem, 'id'))
+            mat_ids = co_elem.find('material_ids').text.split()
+            fill_objs = [mats[mid] for mid in mat_ids]
+            fill = fill_objs[0] if len(fill_objs) == 1 else fill_objs
+            if cell_id in self.cells:
+                raise ValueError(
+                    f"Duplicate DAGMC cell override specified for cell {cell_id}.")
+            self.add_cell(DAGMCCell(cell_id=cell_id, fill=fill))
+
+    def _parse_cell_overrides(self, elem, mats):
+        if mats is None:
+            raise ValueError("DAGMC cell overrides found in DAGMC universe but "
+                             "no materials were provided to populate the "
+                             "mapping.")
+
+        for cell_elem in elem.findall('cell'):
+            cell_id = int(get_text(cell_elem, 'id'))
+            if cell_id in self.cells:
+                raise ValueError(
+                    f"Duplicate DAGMC cell override specified for cell {cell_id}.")
+            DAGMCCell.from_xml_element(cell_elem, mats, self)
+
     def _partial_deepcopy(self):
         """Clone all of the openmc.DAGMCUniverse object's attributes except for
         its cells, as they are copied within the clone function. This should
@@ -565,7 +541,13 @@ class DAGMCUniverse(openmc.UniverseBase):
                 fill = [mats_per_id[mat.id] for mat in dag_cell.fill if mat]
             else:
                 fill = mats_per_id[dag_cell.fill.id] if dag_cell.fill else None
-            self.add_cell(openmc.DAGMCCell(cell_id=dag_cell_id, fill=fill))
+            name = dag_cell.name
+            if dag_cell_id in self._cells:
+                self._cells[dag_cell_id].name = name
+                self._cells[dag_cell_id].fill = fill
+            else:
+                self.add_cell(
+                    openmc.DAGMCCell(cell_id=dag_cell_id, name=name, fill=fill))
 
     @add_plot_params
     def plot(self, *args, **kwargs):
@@ -594,6 +576,14 @@ class DAGMCCell(openmc.Cell):
     DAG_parent_universe : int
         The parent universe of the cell.
 
+    Notes
+    -----
+    DAGMC geometries are composed of triangulated surfaces, which means cell
+    volumes can in principle be computed exactly (e.g. via mesh-based
+    integration). Manually specifying :attr:`volume` overrides any such
+    calculation and may introduce inconsistencies if the value does not
+    accurately reflect the true geometric volume.
+
     """
     def __init__(self, cell_id=None, name='', fill=None):
         super().__init__(cell_id, name, fill, None)
@@ -625,8 +615,62 @@ class DAGMCCell(openmc.Cell):
         raise TypeError("plot is not available for DAGMC cells.")
 
     def create_xml_subelement(self, xml_element, memo=None):
-        raise TypeError("create_xml_subelement is not available for DAGMC cells.")
+        if self.fill_type not in ('void', 'material', 'distribmat'):
+            raise TypeError("DAGMC cell overrides currently only support "
+                            "material fills.")
+        if self.temperature is not None and self.fill_type not in (
+            'material', 'distribmat'
+        ):
+            raise TypeError("DAGMC cell temperature overrides require a "
+                            "material fill.")
+        if self.density is not None and self.fill_type not in ('material', 'distribmat'):
+            raise TypeError("DAGMC cell density overrides require a "
+                            "material fill.")
+        if any(getattr(self, attr) is not None for attr in ('translation', 'rotation')):
+            raise TypeError("DAGMC cell overrides do not support translation "
+                            "or rotation.")
+        return super().create_xml_subelement(xml_element, memo)
 
     @classmethod
-    def from_xml_element(cls, elem, surfaces, materials, get_universe):
-        raise TypeError("from_xml_element is not available for DAGMC cells.")
+    def from_xml_element(cls, elem, mats, universe):
+        """Generate a DAGMCCell from an XML <cell> override element.
+
+        Parameters
+        ----------
+        elem : lxml.etree._Element
+            `<cell>` element containing a DAGMC cell property override
+        mats : dict
+            Dictionary mapping material ID strings to :class:`openmc.Material`
+            instances
+        universe : DAGMCUniverse
+            Universe to add the parsed cell to.
+
+        Returns
+        -------
+        DAGMCCell
+            DAGMCCell instance
+        """
+        if not isinstance(universe, DAGMCUniverse):
+            raise TypeError(
+                f"universe must be a DAGMCUniverse instance, "
+                f"got {type(universe).__name__}.")
+
+        cell_id = int(get_text(elem, 'id'))
+
+        # Validate attributes that are unsupported for DAGMC cell overrides
+        for tag in ('region', 'fill', 'universe'):
+            if get_text(elem, tag) is not None:
+                raise ValueError(
+                    f"DAGMC cell {cell_id} override cannot specify '{tag}'.")
+        for tag in ('translation', 'rotation'):
+            if get_text(elem, tag) is not None:
+                raise ValueError(
+                    f"DAGMC cell {cell_id} override does not support "
+                    f"'{tag}'.")
+        if get_elem_list(elem, 'material', str) is None:
+            raise ValueError(
+                f"DAGMC cell {cell_id} must specify a material override.")
+
+        return super().from_xml_element(
+            elem, surfaces={}, materials=mats,
+            get_universe=lambda _: universe)
diff --git a/openmc/model/model.py b/openmc/model/model.py
index c9a24b8b3..11c26d4e7 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -467,6 +467,8 @@ class Model:
         This method iterates over all DAGMC universes in the geometry and
         synchronizes their cells with the current material assignments. Requires
         that the model has been initialized via :meth:`Model.init_lib`.
+        Synchronized DAGMC cells can then be edited and exported as nested
+        `<cell>` overrides inside each `<dagmc_universe>` element.
 
         .. versionadded:: 0.15.1
 
diff --git a/src/cell.cpp b/src/cell.cpp
index ebe28c3d2..06bc29a66 100644
--- a/src/cell.cpp
+++ b/src/cell.cpp
@@ -340,6 +340,63 @@ void Cell::to_hdf5(hid_t cell_group) const
   close_group(group);
 }
 
+//==============================================================================
+// XML parsing helpers for <cell> nodes
+//==============================================================================
+
+vector<int32_t> parse_cell_material_xml(pugi::xml_node node, int32_t cell_id)
+{
+  vector<std::string> mats {
+    get_node_array<std::string>(node, "material", true)};
+  if (mats.empty()) {
+    fatal_error(fmt::format(
+      "An empty material element was specified for cell {}", cell_id));
+  }
+  vector<int32_t> material;
+  material.reserve(mats.size());
+  for (const auto& mat : mats) {
+    if (mat == "void") {
+      material.push_back(MATERIAL_VOID);
+    } else {
+      material.push_back(std::stoi(mat));
+    }
+  }
+  return material;
+}
+
+vector<double> parse_cell_temperature_xml(pugi::xml_node node, int32_t cell_id)
+{
+  auto temperatures = get_node_array<double>(node, "temperature");
+  if (temperatures.empty()) {
+    fatal_error(fmt::format(
+      "An empty temperature element was specified for cell {}", cell_id));
+  }
+  for (auto T : temperatures) {
+    if (T < 0) {
+      fatal_error(fmt::format(
+        "Cell {} was specified with a negative temperature", cell_id));
+    }
+  }
+  return temperatures;
+}
+
+vector<double> parse_cell_density_xml(pugi::xml_node node, int32_t cell_id)
+{
+  auto densities = get_node_array<double>(node, "density");
+  if (densities.empty()) {
+    fatal_error(fmt::format(
+      "An empty density element was specified for cell {}", cell_id));
+  }
+  for (auto rho : densities) {
+    if (rho <= 0) {
+      fatal_error(fmt::format(
+        "Cell {} was specified with a density less than or equal to zero",
+        cell_id));
+    }
+  }
+  return densities;
+}
+
 //==============================================================================
 // CSGCell implementation
 //==============================================================================
@@ -390,26 +447,12 @@ CSGCell::CSGCell(pugi::xml_node cell_node)
   // universe), more than one material (distribmats), and some materials may
   // be "void".
   if (material_present) {
-    vector<std::string> mats {
-      get_node_array<std::string>(cell_node, "material", true)};
-    if (mats.size() > 0) {
-      material_.reserve(mats.size());
-      for (std::string mat : mats) {
-        if (mat.compare("void") == 0) {
-          material_.push_back(MATERIAL_VOID);
-        } else {
-          material_.push_back(std::stoi(mat));
-        }
-      }
-    } else {
-      fatal_error(fmt::format(
-        "An empty material element was specified for cell {}", id_));
-    }
+    material_ = parse_cell_material_xml(cell_node, id_);
   }
 
   // Read the temperature element which may be distributed like materials.
   if (check_for_node(cell_node, "temperature")) {
-    sqrtkT_ = get_node_array<double>(cell_node, "temperature");
+    sqrtkT_ = parse_cell_temperature_xml(cell_node, id_);
     sqrtkT_.shrink_to_fit();
 
     // Make sure this is a material-filled cell.
@@ -420,14 +463,6 @@ CSGCell::CSGCell(pugi::xml_node cell_node)
         id_));
     }
 
-    // Make sure all temperatures are non-negative.
-    for (auto T : sqrtkT_) {
-      if (T < 0) {
-        fatal_error(fmt::format(
-          "Cell {} was specified with a negative temperature", id_));
-      }
-    }
-
     // Convert to sqrt(k*T).
     for (auto& T : sqrtkT_) {
       T = std::sqrt(K_BOLTZMANN * T);
@@ -440,7 +475,7 @@ CSGCell::CSGCell(pugi::xml_node cell_node)
   // Note: calculating the actual density multiplier is deferred until materials
   // are finalized. density_mult_ contains the true density in the meantime.
   if (check_for_node(cell_node, "density")) {
-    density_mult_ = get_node_array<double>(cell_node, "density");
+    density_mult_ = parse_cell_density_xml(cell_node, id_);
     density_mult_.shrink_to_fit();
 
     // Make sure this is a material-filled cell.
@@ -461,15 +496,6 @@ CSGCell::CSGCell(pugi::xml_node cell_node)
           id_));
       }
     }
-
-    // Make sure all densities are non-negative and greater than zero.
-    for (auto rho : density_mult_) {
-      if (rho <= 0) {
-        fatal_error(fmt::format(
-          "Cell {} was specified with a density less than or equal to zero",
-          id_));
-      }
-    }
   }
 
   // Read the region specification.
diff --git a/src/dagmc.cpp b/src/dagmc.cpp
index 571182fa6..a5cc71b52 100644
--- a/src/dagmc.cpp
+++ b/src/dagmc.cpp
@@ -50,6 +50,10 @@ namespace openmc {
 
 DAGUniverse::DAGUniverse(pugi::xml_node node)
 {
+  MaterialOverrides material_overrides;
+  TemperatureOverrides temperature_overrides;
+  DensityOverrides density_overrides;
+
   if (check_for_node(node, "id")) {
     id_ = std::stoi(get_node_value(node, "id"));
   } else {
@@ -76,24 +80,77 @@ DAGUniverse::DAGUniverse(pugi::xml_node node)
     adjust_material_ids_ = get_node_value_bool(node, "auto_mat_ids");
   }
 
-  // get material assignment overloading
-  if (check_for_node(node, "material_overrides")) {
-    auto mat_node = node.child("material_overrides");
-    // loop over all subelements (each subelement corresponds to a material)
-    for (pugi::xml_node cell_node : mat_node.children("cell_override")) {
-      // Store assignment reference name
-      int32_t ref_assignment = std::stoi(get_node_value(cell_node, "id"));
+  // Get material assignment overrides from nested DAGMC cell elements.
+  if (node.child("cell")) {
+    for (pugi::xml_node cell_node : node.children("cell")) {
+      if (!check_for_node(cell_node, "id")) {
+        fatal_error(
+          "Must specify id for each DAGMC cell override in <dagmc_universe>.");
+      }
 
-      // Get mat name for each assignement instances
-      vector<int32_t> instance_mats =
-        get_node_array<int32_t>(cell_node, "material_ids");
+      int32_t cell_id = std::stoi(get_node_value(cell_node, "id"));
 
-      // Store mat name for each instances
-      material_overrides_.emplace(ref_assignment, instance_mats);
+      if (check_for_node(cell_node, "region")) {
+        fatal_error(fmt::format(
+          "DAGMC cell {} override cannot specify a region.", cell_id));
+      }
+      if (check_for_node(cell_node, "fill")) {
+        fatal_error(fmt::format(
+          "DAGMC cell {} override currently only supports material fills.",
+          cell_id));
+      }
+      if (check_for_node(cell_node, "universe")) {
+        fatal_error(fmt::format(
+          "DAGMC cell {} override cannot specify a universe.", cell_id));
+      }
+      if (check_for_node(cell_node, "translation") ||
+          check_for_node(cell_node, "rotation")) {
+        fatal_error(fmt::format(
+          "DAGMC cell {} override does not support translation or rotation.",
+          cell_id));
+      }
+      if (!check_for_node(cell_node, "material")) {
+        fatal_error(fmt::format(
+          "DAGMC cell {} override must specify material.", cell_id));
+      }
+
+      auto inserted = material_overrides.emplace(
+        cell_id, parse_cell_material_xml(cell_node, cell_id));
+      if (!inserted.second) {
+        fatal_error(fmt::format(
+          "Duplicate DAGMC cell override specified for cell {}", cell_id));
+      }
+
+      if (check_for_node(cell_node, "temperature")) {
+        temperature_overrides.emplace(
+          cell_id, parse_cell_temperature_xml(cell_node, cell_id));
+      }
+
+      if (check_for_node(cell_node, "density")) {
+        density_overrides.emplace(
+          cell_id, parse_cell_density_xml(cell_node, cell_id));
+      }
+    }
+  } else if (check_for_node(node, "material_overrides")) {
+    if (node.child("cell")) {
+      fatal_error("DAGMCUniverse cannot specify both <material_overrides> and "
+                  "<cell> sub-elements. Use <cell> elements only.");
+    }
+    warning("DAGMCUniverse <material_overrides> is deprecated. Use nested "
+            "<cell> elements under <dagmc_universe> instead.");
+    for (pugi::xml_node co :
+      node.child("material_overrides").children("cell_override")) {
+      int32_t cell_id = std::stoi(get_node_value(co, "id"));
+      std::istringstream iss(co.child("material_ids").text().get());
+      vector<int32_t> mats;
+      for (std::string s; iss >> s;) {
+        mats.push_back(s == "void" ? MATERIAL_VOID : std::stoi(s));
+      }
+      material_overrides.emplace(cell_id, mats);
     }
   }
 
-  initialize();
+  initialize(material_overrides, temperature_overrides, density_overrides);
 }
 
 DAGUniverse::DAGUniverse(
@@ -110,9 +167,12 @@ DAGUniverse::DAGUniverse(std::shared_ptr<moab::DagMC> dagmc_ptr,
   : dagmc_instance_(dagmc_ptr), filename_(filename),
     adjust_geometry_ids_(auto_geom_ids), adjust_material_ids_(auto_mat_ids)
 {
+  MaterialOverrides material_overrides;
+  TemperatureOverrides temperature_overrides;
+  DensityOverrides density_overrides;
   set_id();
   init_metadata();
-  init_geometry();
+  init_geometry(material_overrides, temperature_overrides, density_overrides);
 }
 
 void DAGUniverse::set_id()
@@ -130,6 +190,15 @@ void DAGUniverse::set_id()
 }
 
 void DAGUniverse::initialize()
+{
+  MaterialOverrides material_overrides;
+  TemperatureOverrides temperature_overrides;
+  initialize(material_overrides, temperature_overrides);
+}
+
+void DAGUniverse::initialize(const MaterialOverrides& material_overrides,
+  const TemperatureOverrides& temperature_overrides,
+  const DensityOverrides& density_overrides)
 {
 #ifdef OPENMC_UWUW_ENABLED
   // read uwuw materials from the .h5m file if present
@@ -140,7 +209,7 @@ void DAGUniverse::initialize()
 
   init_metadata();
 
-  init_geometry();
+  init_geometry(material_overrides, temperature_overrides, density_overrides);
 }
 
 void DAGUniverse::init_dagmc()
@@ -176,7 +245,9 @@ void DAGUniverse::init_metadata()
   MB_CHK_ERR_CONT(rval);
 }
 
-void DAGUniverse::init_geometry()
+void DAGUniverse::init_geometry(const MaterialOverrides& material_overrides,
+  const TemperatureOverrides& temperature_overrides,
+  const DensityOverrides& density_overrides)
 {
   moab::ErrorCode rval;
 
@@ -202,6 +273,9 @@ void DAGUniverse::init_geometry()
                : dagmc_instance_->id_by_index(3, c->dag_index());
     c->universe_ = this->id_;
     c->fill_ = C_NONE; // no fill, single universe
+    if (dagmc_instance_->is_implicit_complement(vol_handle)) {
+      c->name_ = "implicit complement";
+    }
 
     auto in_map = model::cell_map.find(c->id_);
     if (in_map == model::cell_map.end()) {
@@ -230,16 +304,68 @@ void DAGUniverse::init_geometry()
     if (mat_str == "graveyard") {
       graveyard = vol_handle;
     }
-    // material void checks
-    if (mat_str == "void" || mat_str == "vacuum" || mat_str == "graveyard") {
+    if (material_overrides.count(c->id_)) {
+      override_assign_material(c, material_overrides);
+    } else if (mat_str == "void" || mat_str == "vacuum" ||
+               mat_str == "graveyard") {
       c->material_.push_back(MATERIAL_VOID);
+    } else if (uses_uwuw()) {
+      uwuw_assign_material(vol_handle, c);
     } else {
-      if (material_overrides_.count(c->id_)) {
-        override_assign_material(c);
-      } else if (uses_uwuw()) {
-        uwuw_assign_material(vol_handle, c);
-      } else {
-        legacy_assign_material(mat_str, c);
+      legacy_assign_material(mat_str, c);
+    }
+
+    if (temperature_overrides.count(c->id_)) {
+      if (c->material_.empty() || c->material_[0] == MATERIAL_VOID) {
+        fatal_error(fmt::format("DAGMC cell {} was specified with a "
+                                "temperature but no non-void material.",
+          c->id_));
+      }
+
+      c->sqrtkT_.clear();
+      const auto& temp_overrides = temperature_overrides.at(c->id_);
+      c->sqrtkT_.reserve(temp_overrides.size());
+      for (auto T : temp_overrides) {
+        c->sqrtkT_.push_back(std::sqrt(K_BOLTZMANN * T));
+      }
+
+      if (settings::verbosity >= 10) {
+        std::stringstream override_values;
+        for (size_t i = 0; i < temp_overrides.size(); ++i) {
+          if (i > 0) {
+            override_values << " ";
+          }
+          override_values << temp_overrides[i];
+        }
+        auto msg = fmt::format("Overriding DAGMC cell {} property "
+                               "'temperature [K]' with value(s): {}",
+          c->id_, override_values.str());
+        write_message(msg, 10);
+      }
+    }
+
+    if (density_overrides.count(c->id_)) {
+      if (c->material_.empty() || c->material_[0] == MATERIAL_VOID) {
+        fatal_error(fmt::format("DAGMC cell {} was specified with a density "
+                                "but no non-void material.",
+          c->id_));
+      }
+      // density_mult_ holds the true density until materials are finalized,
+      // at which point it is converted to a proper multiplier (same as CSG).
+      c->density_mult_ = density_overrides.at(c->id_);
+
+      if (settings::verbosity >= 10) {
+        const auto& dens = density_overrides.at(c->id_);
+        std::stringstream override_values;
+        for (size_t i = 0; i < dens.size(); ++i) {
+          if (i > 0)
+            override_values << " ";
+          override_values << dens[i];
+        }
+        write_message(fmt::format("Overriding DAGMC cell {} property "
+                                  "'density [g/cm³]' with value(s): {}",
+                        c->id_, override_values.str()),
+          10);
       }
     }
 
@@ -252,18 +378,21 @@ void DAGUniverse::init_geometry()
       continue;
     }
 
-    // assign cell temperature
-    const auto& mat = model::materials[model::material_map.at(c->material_[0])];
-    if (dagmc_instance_->has_prop(vol_handle, "temp")) {
-      rval = dagmc_instance_->prop_value(vol_handle, "temp", temp_value);
-      MB_CHK_ERR_CONT(rval);
-      double temp = std::stod(temp_value);
-      c->sqrtkT_.push_back(std::sqrt(K_BOLTZMANN * temp));
-    } else if (mat->temperature() > 0.0) {
-      c->sqrtkT_.push_back(std::sqrt(K_BOLTZMANN * mat->temperature()));
-    } else {
-      c->sqrtkT_.push_back(
-        std::sqrt(K_BOLTZMANN * settings::temperature_default));
+    // assign cell temperature if not explicitly overridden
+    if (c->sqrtkT_.empty()) {
+      const auto& mat =
+        model::materials[model::material_map.at(c->material_[0])];
+      if (dagmc_instance_->has_prop(vol_handle, "temp")) {
+        rval = dagmc_instance_->prop_value(vol_handle, "temp", temp_value);
+        MB_CHK_ERR_CONT(rval);
+        double temp = std::stod(temp_value);
+        c->sqrtkT_.push_back(std::sqrt(K_BOLTZMANN * temp));
+      } else if (mat->temperature() > 0.0) {
+        c->sqrtkT_.push_back(std::sqrt(K_BOLTZMANN * mat->temperature()));
+      } else {
+        c->sqrtkT_.push_back(
+          std::sqrt(K_BOLTZMANN * settings::temperature_default));
+      }
     }
 
     model::cells.emplace_back(std::move(c));
@@ -630,7 +759,8 @@ void DAGUniverse::uwuw_assign_material(
 #endif // OPENMC_UWUW_ENABLED
 }
 
-void DAGUniverse::override_assign_material(std::unique_ptr<DAGCell>& c) const
+void DAGUniverse::override_assign_material(std::unique_ptr<DAGCell>& c,
+  const MaterialOverrides& material_overrides) const
 {
   // if Cell ID matches an override key, use it to override the material
   // assignment else if UWUW is used, get the material assignment from the DAGMC
@@ -638,17 +768,30 @@ void DAGUniverse::override_assign_material(std::unique_ptr<DAGCell>& c) const
   // Notify User that an override is being applied on a DAGMCCell
   write_message(fmt::format("Applying override for DAGMCCell {}", c->id_), 8);
 
+  const auto& mat_overrides = material_overrides.at(c->id_);
   if (settings::verbosity >= 10) {
-    auto msg = fmt::format("Assigning DAGMC cell {} material(s) based on "
-                           "override information (see input XML).",
-      c->id_);
+    std::stringstream override_values;
+    for (size_t i = 0; i < mat_overrides.size(); ++i) {
+      if (i > 0) {
+        override_values << " ";
+      }
+      if (mat_overrides[i] == MATERIAL_VOID) {
+        override_values << "void";
+      } else {
+        override_values << mat_overrides[i];
+      }
+    }
+    auto msg = fmt::format("Overriding DAGMC cell {} property 'material' "
+                           "with value(s): {}",
+      c->id_, override_values.str());
     write_message(msg, 10);
   }
 
   // Override the material assignment for each cell instance using the legacy
   // assignement
-  for (auto mat_id : material_overrides_.at(c->id_)) {
-    if (model::material_map.find(mat_id) == model::material_map.end()) {
+  for (auto mat_id : mat_overrides) {
+    if (mat_id != MATERIAL_VOID &&
+        model::material_map.find(mat_id) == model::material_map.end()) {
       fatal_error(fmt::format(
         "Material with ID '{}' not found for DAGMC cell {}", mat_id, c->id_));
     }
diff --git a/tests/unit_tests/dagmc/test_model.py b/tests/unit_tests/dagmc/test_model.py
index 0917f5b23..5889fa542 100644
--- a/tests/unit_tests/dagmc/test_model.py
+++ b/tests/unit_tests/dagmc/test_model.py
@@ -70,28 +70,20 @@ def model(request):
             openmc.reset_auto_ids()
 
 
-def test_dagmc_replace_material_assignment(model):
-    mats = {}
-
-    mats["foo"] = openmc.Material(name="foo")
-    mats["foo"].add_nuclide("H1", 2.0)
-    mats["foo"].add_element("O", 1.0)
-    mats["foo"].set_density("g/cm3", 1.0)
-    mats["foo"].add_s_alpha_beta("c_H_in_H2O")
-
+def test_dagmc_sync_cell_names(model):
+    dag_univ = None
     for univ in model.geometry.get_all_universes().values():
-        if not isinstance(univ, openmc.DAGMCUniverse):
+        if isinstance(univ, openmc.DAGMCUniverse):
+            dag_univ = univ
             break
 
-        cells_with_41 = []
-        for cell in univ.cells.values():
-            if cell.fill is None:
-                continue
-            if cell.fill.name == "41":
-                cells_with_41.append(cell.id)
-        univ.replace_material_assignment("41", mats["foo"])
-        for cell_id in cells_with_41:
-            assert univ.cells[cell_id] == mats["foo"]
+    assert dag_univ is not None
+
+    for cell_id, cell in dag_univ.cells.items():
+        assert cell.name == openmc.lib.cells[cell_id].name
+
+    assert any(cell.name == "implicit complement"
+               for cell in dag_univ.cells.values())
 
 
 def test_dagmc_add_material_override_with_id(model):
@@ -114,7 +106,7 @@ def test_dagmc_add_material_override_with_id(model):
                 cells_with_41.append(cell.id)
                 univ.add_material_override(cell.id, mats["foo"])
         for cell_id in cells_with_41:
-            assert univ.cells[cell_id] == mats["foo"]
+            assert univ.cells[cell_id].fill == mats["foo"]
 
 
 def test_dagmc_add_material_override_with_cell(model):
@@ -137,7 +129,7 @@ def test_dagmc_add_material_override_with_cell(model):
                 cells_with_41.append(cell.id)
                 univ.add_material_override(cell, mats["foo"])
         for cell_id in cells_with_41:
-            assert univ.cells[cell_id] == mats["foo"]
+            assert univ.cells[cell_id].fill == mats["foo"]
 
 
 def test_model_differentiate_depletable_with_dagmc(model, run_in_tmpdir):
@@ -174,57 +166,20 @@ def test_model_differentiate_with_dagmc(model):
     assert len(model.materials) == 4*2 + 4
 
 
-def test_bad_override_cell_id(model):
-    for univ in model.geometry.get_all_universes().values():
-        if isinstance(univ, openmc.DAGMCUniverse):
-            break
-    with pytest.raises(ValueError, match="Cell ID '1' not found in DAGMC universe"):
-        univ.material_overrides = {1: model.materials[0]}
-
-
-def test_bad_override_type(model):
-    not_a_dag_cell = openmc.Cell()
-    for univ in model.geometry.get_all_universes().values():
-        if isinstance(univ, openmc.DAGMCUniverse):
-            break
-    with pytest.raises(ValueError, match="Unrecognized key type. Must be an integer or openmc.DAGMCCell object"):
-        univ.material_overrides = {not_a_dag_cell: model.materials[0]}
-
-
-def test_bad_replacement_mat_name(model):
-    for univ in model.geometry.get_all_universes().values():
-        if isinstance(univ, openmc.DAGMCUniverse):
-            break
-    with pytest.raises(ValueError, match="No material with name 'not_a_mat' found in the DAGMC universe"):
-        univ.replace_material_assignment("not_a_mat", model.materials[0])
-
-
 def test_dagmc_xml(model):
-    # Set the environment
-    mats = {}
-    mats["no-void fuel"] = openmc.Material(1, name="no-void fuel")
-    mats["no-void fuel"].add_nuclide("U235", 0.03)
-    mats["no-void fuel"].add_nuclide("U238", 0.97)
-    mats["no-void fuel"].add_nuclide("O16", 2.0)
-    mats["no-void fuel"].set_density("g/cm3", 10.0)
-
-    mats[5] = openmc.Material(name="41")
-    mats[5].add_nuclide("H1", 2.0)
-    mats[5].add_element("O", 1.0)
-    mats[5].set_density("g/cm3", 1.0)
-    mats[5].add_s_alpha_beta("c_H_in_H2O")
+    override_mat = openmc.Material(name="41")
+    override_mat.add_nuclide("H1", 2.0)
+    override_mat.add_element("O", 1.0)
+    override_mat.set_density("g/cm3", 1.0)
+    override_mat.add_s_alpha_beta("c_H_in_H2O")
+    model.materials.append(override_mat)
 
     for univ in model.geometry.get_all_universes().values():
         if isinstance(univ, openmc.DAGMCUniverse):
             dag_univ = univ
             break
 
-    for k, v in mats.items():
-        if isinstance(k, int):
-            dag_univ.add_material_override(k, v)
-            model.materials.append(v)
-        elif isinstance(k, str):
-            dag_univ.replace_material_assignment(k, v)
+    dag_univ.add_material_override(5, override_mat)
 
     # Tesing the XML subelement generation
     root = ET.Element('dagmc_universe')
@@ -236,12 +191,24 @@ def test_dagmc_xml(model):
     assert dagmc_ele.get('filename') == str(dag_univ.filename)
     assert dagmc_ele.get('auto_geom_ids') == str(dag_univ.auto_geom_ids).lower()
 
-    override_eles = dagmc_ele.find('material_overrides').findall('cell_override')
-    assert len(override_eles) == 4
+    assert dagmc_ele.find('material_overrides') is None
 
-    for i, override_ele in enumerate(override_eles):
-        cell_id = override_ele.get('id')
-        assert dag_univ.material_overrides[int(cell_id)][0].id == int(override_ele.find('material_ids').text)
+    override_elements = dagmc_ele.findall('cell')
+    assert len(override_elements) == len(dag_univ.cells)
+    xml_cells = {int(elem.get('id')): elem for elem in override_elements}
+    for cell_id, cell in dag_univ.cells.items():
+        assert cell_id in xml_cells
+        xml_cell = xml_cells[cell_id]
+        if cell.fill_type == 'void':
+            assert xml_cell.get('material') == 'void'
+        elif cell.fill_type == 'material':
+            assert xml_cell.get('material') == str(cell.fill.id)
+        elif cell.fill_type == 'distribmat':
+            mat_list = xml_cell.find('material').text.split()
+            expected = ["void" if m is None else str(m.id) for m in cell.fill]
+            assert mat_list == expected
+        else:
+            pytest.fail(f"Unexpected DAGMC cell fill type: {cell.fill_type}")
 
     model.export_to_model_xml()
 
@@ -252,7 +219,147 @@ def test_dagmc_xml(model):
             xml_dagmc_univ = univ
             break
 
-    assert xml_dagmc_univ._material_overrides.keys() == dag_univ._material_overrides.keys()
+    assert xml_dagmc_univ.cells.keys() == dag_univ.cells.keys()
 
-    for xml_mats, model_mats in zip(xml_dagmc_univ._material_overrides.values(), dag_univ._material_overrides.values()):
-        assert all([xml_mat.id == orig_mat.id for xml_mat, orig_mat in zip(xml_mats, model_mats)])
+    for cell_id, cell in dag_univ.cells.items():
+        xml_cell = xml_dagmc_univ.cells[cell_id]
+        assert xml_cell.fill_type == cell.fill_type
+        if cell.fill_type == 'void':
+            assert xml_cell.fill is None
+        elif cell.fill_type == 'material':
+            assert xml_cell.fill.id == cell.fill.id
+        elif cell.fill_type == 'distribmat':
+            xml_ids = [m.id if m is not None else None for m in xml_cell.fill]
+            model_ids = [m.id if m is not None else None for m in cell.fill]
+            assert xml_ids == model_ids
+        else:
+            pytest.fail(f"Unexpected DAGMC cell fill type: {cell.fill_type}")
+
+
+def test_dagmc_xml_reject_fill_override():
+    mats = {'1': openmc.Material(1), 'void': None}
+    elem = ET.fromstring(
+        '<dagmc_universe id="1" filename="dagmc.h5m">'
+        '<cell id="1" fill="2"/>'
+        '</dagmc_universe>'
+    )
+    with pytest.raises(ValueError, match="cannot specify 'fill'"):
+        openmc.DAGMCUniverse.from_xml_element(elem, mats)
+
+
+def test_dagmc_xml_reject_region_override():
+    mats = {'1': openmc.Material(1), 'void': None}
+    elem = ET.fromstring(
+        '<dagmc_universe id="1" filename="dagmc.h5m">'
+        '<cell id="1" material="1" region="-1"/>'
+        '</dagmc_universe>'
+    )
+    with pytest.raises(ValueError, match="cannot specify 'region'"):
+        openmc.DAGMCUniverse.from_xml_element(elem, mats)
+
+
+def _legacy_xml(cell_overrides):
+    """Helper to build a <dagmc_universe> with old-format <material_overrides>."""
+    inner = ''.join(
+        f'<cell_override id="{cid}"><material_ids>{mids}</material_ids></cell_override>'
+        for cid, mids in cell_overrides.items()
+    )
+    return ET.fromstring(
+        f'<dagmc_universe id="1" filename="dagmc.h5m">'
+        f'<material_overrides>{inner}</material_overrides>'
+        f'</dagmc_universe>'
+    )
+
+
+def test_dagmc_xml_legacy_single_material_compat():
+    mat = openmc.Material(1)
+    mats = {'1': mat, 'void': None}
+    elem = _legacy_xml({3: '1'})
+    with pytest.warns(DeprecationWarning, match="deprecated"):
+        univ = openmc.DAGMCUniverse.from_xml_element(elem, mats)
+    assert 3 in univ.cells
+    assert univ.cells[3].fill is mat
+
+
+def test_dagmc_xml_legacy_distribmat_compat():
+    mat1, mat2 = openmc.Material(2), openmc.Material(3)
+    mats = {'2': mat1, '3': mat2, 'void': None}
+    elem = _legacy_xml({5: '2 3'})
+    with pytest.warns(DeprecationWarning):
+        univ = openmc.DAGMCUniverse.from_xml_element(elem, mats)
+    assert univ.cells[5].fill_type == 'distribmat'
+    assert list(univ.cells[5].fill) == [mat1, mat2]
+
+
+def test_dagmc_xml_legacy_void_compat():
+    mats = {'void': None}
+    elem = _legacy_xml({7: 'void'})
+    with pytest.warns(DeprecationWarning):
+        univ = openmc.DAGMCUniverse.from_xml_element(elem, mats)
+    assert univ.cells[7].fill_type == 'void'
+
+
+def test_dagmc_xml_legacy_both_raises():
+    mat = openmc.Material(1)
+    mats = {'1': mat, 'void': None}
+    elem = ET.fromstring(
+        '<dagmc_universe id="1" filename="dagmc.h5m">'
+        '<material_overrides>'
+        '<cell_override id="3"><material_ids>1</material_ids></cell_override>'
+        '</material_overrides>'
+        '<cell id="5" material="1"/>'
+        '</dagmc_universe>'
+    )
+    with pytest.raises(ValueError, match="both"):
+        openmc.DAGMCUniverse.from_xml_element(elem, mats)
+
+
+def test_dagmc_xml_legacy_deprecation_warning():
+    mats = {'1': openmc.Material(1), 'void': None}
+    elem = _legacy_xml({3: '1'})
+    with pytest.warns(DeprecationWarning):
+        openmc.DAGMCUniverse.from_xml_element(elem, mats)
+
+
+def test_dagmc_xml_legacy_roundtrip():
+    """Old-format XML loads correctly and re-exports using the new <cell> format."""
+    mat = openmc.Material(1)
+    mats = {'1': mat, 'void': None}
+    elem = _legacy_xml({3: '1'})
+    with pytest.warns(DeprecationWarning):
+        univ = openmc.DAGMCUniverse.from_xml_element(elem, mats)
+
+    root = ET.Element('geometry')
+    univ.create_xml_subelement(root)
+    dagmc_elem = root.find('dagmc_universe')
+
+    assert dagmc_elem.find('material_overrides') is None
+    cell_elems = dagmc_elem.findall('cell')
+    assert len(cell_elems) == 1
+    assert int(cell_elems[0].get('id')) == 3
+    assert cell_elems[0].get('material') == '1'
+
+
+def test_dagmc_xml_temperature_roundtrip():
+    mat = openmc.Material(1)
+    mats = {'1': mat, 'void': None}
+
+    elem = ET.fromstring(
+        '<dagmc_universe id="10" filename="dagmc.h5m">'
+        '<cell id="7" material="1" temperature="825.0"/>'
+        '</dagmc_universe>'
+    )
+
+    dag_univ = openmc.DAGMCUniverse.from_xml_element(elem, mats)
+    assert dag_univ.cells[7].fill.id == 1
+    assert dag_univ.cells[7].temperature == pytest.approx(825.0)
+
+    root = ET.Element('geometry')
+    dag_univ.create_xml_subelement(root)
+    dagmc_elem = root.find('dagmc_universe')
+    xml_cell = dagmc_elem.find('cell')
+    assert xml_cell.get('temperature') == '825.0'
+
+    dag_univ_roundtrip = openmc.DAGMCUniverse.from_xml_element(dagmc_elem, mats)
+    assert dag_univ_roundtrip.cells[7].fill.id == 1
+    assert dag_univ_roundtrip.cells[7].temperature == pytest.approx(825.0)
diff --git a/tests/unit_tests/test_cell.py b/tests/unit_tests/test_cell.py
index 2baa59f1b..8d39c071b 100644
--- a/tests/unit_tests/test_cell.py
+++ b/tests/unit_tests/test_cell.py
@@ -374,6 +374,49 @@ def test_rotation_from_xml(rotation):
     np.testing.assert_allclose(new_cell.rotation, cell.rotation)
 
 
+def test_dagmccell_from_xml_element():
+    """DAGMCCell.from_xml_element parses material, temperature, density,
+    and volume; rejects unsupported attributes."""
+    mat = openmc.Material(1)
+    mat.add_nuclide('U235', 1.0)
+    mats = {'1': mat}
+    # In practice, from_xml_element is always called from DAGMCUniverse
+    # during XML parsing. A placeholder universe is used here so the test
+    # can exercise the method directly without a real DAGMC model file.
+    placeholder_univ = openmc.DAGMCUniverse('model.h5m')
+
+    # material + temperature + density round-trip
+    xml = '<cell id="5" name="fuel" material="1" temperature="900.0" density="10.5"/>'
+    cell = openmc.DAGMCCell.from_xml_element(ET.fromstring(xml), mats, placeholder_univ)
+    assert cell.id == 5
+    assert cell.name == 'fuel'
+    assert cell.fill is mat
+    assert cell.density == 10.5
+    assert cell.temperature == 900.0
+
+    # volume round-trip
+    xml = '<cell id="6" material="1" volume="42.0"/>'
+    cell = openmc.DAGMCCell.from_xml_element(ET.fromstring(xml), mats, placeholder_univ)
+    assert cell.volume == 42.0
+
+    # forbidden: region, fill, universe
+    for tag, val in [('region', '-1'), ('fill', '2'), ('universe', '0')]:
+        xml = f'<cell id="7" material="1" {tag}="{val}"/>'
+        with pytest.raises(ValueError, match=tag):
+            openmc.DAGMCCell.from_xml_element(ET.fromstring(xml), mats, placeholder_univ)
+
+    # forbidden: translation, rotation
+    for tag, val in [('translation', '1 0 0'), ('rotation', '0 0 90')]:
+        xml = f'<cell id="7" material="1" {tag}="{val}"/>'
+        with pytest.raises(ValueError, match=tag):
+            openmc.DAGMCCell.from_xml_element(ET.fromstring(xml), mats, placeholder_univ)
+
+    # missing material raises
+    xml = '<cell id="8"/>'
+    with pytest.raises(ValueError, match='material'):
+        openmc.DAGMCCell.from_xml_element(ET.fromstring(xml), mats, placeholder_univ)
+
+
 def test_plot(run_in_tmpdir):
     zcyl = openmc.ZCylinder()
     c = openmc.Cell(region=-zcyl)

From dfb6c5699c6fb966ca4dfd396d3ccb22f4e28f60 Mon Sep 17 00:00:00 2001
From: Ahnaf Tahmid Chowdhury <tahmid@nukehub.org>
Date: Fri, 22 May 2026 02:33:56 +0600
Subject: [PATCH 2609/2654] Modernize CMake packaging (#3653)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 CMakeLists.txt                     | 24 +++++++++++++++------
 cmake/OpenMCConfig.cmake.in        | 34 +++++++++++++++++++-----------
 cmake/OpenMCConfigVersion.cmake.in | 11 ----------
 3 files changed, 40 insertions(+), 29 deletions(-)
 delete mode 100644 cmake/OpenMCConfigVersion.cmake.in

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 9fe133a22..d5af01610 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -611,9 +611,7 @@ add_custom_command(TARGET libopenmc POST_BUILD
 #===============================================================================
 # Install executable, scripts, manpage, license
 #===============================================================================
-
-configure_file(cmake/OpenMCConfig.cmake.in "${CMAKE_BINARY_DIR}${CMAKE_FILES_DIRECTORY}/OpenMCConfig.cmake" @ONLY)
-configure_file(cmake/OpenMCConfigVersion.cmake.in "${CMAKE_BINARY_DIR}${CMAKE_FILES_DIRECTORY}/OpenMCConfigVersion.cmake" @ONLY)
+include(CMakePackageConfigHelpers)
 
 set(INSTALL_CONFIGDIR ${CMAKE_INSTALL_LIBDIR}/cmake/OpenMC)
 install(TARGETS openmc libopenmc
@@ -627,10 +625,24 @@ install(EXPORT openmc-targets
   NAMESPACE OpenMC::
   DESTINATION ${INSTALL_CONFIGDIR})
 
+configure_package_config_file(
+    "cmake/OpenMCConfig.cmake.in"
+    "${CMAKE_BINARY_DIR}/${CMAKE_FILES_DIRECTORY}/OpenMCConfig.cmake"
+    INSTALL_DESTINATION ${INSTALL_CONFIGDIR}
+)
+
+write_basic_package_version_file(
+    "${CMAKE_BINARY_DIR}/${CMAKE_FILES_DIRECTORY}/OpenMCConfigVersion.cmake"
+    VERSION ${OPENMC_VERSION}
+    COMPATIBILITY AnyNewerVersion
+)
+
 install(FILES
-  "${CMAKE_BINARY_DIR}${CMAKE_FILES_DIRECTORY}/OpenMCConfig.cmake"
-  "${CMAKE_BINARY_DIR}${CMAKE_FILES_DIRECTORY}/OpenMCConfigVersion.cmake"
-  DESTINATION ${INSTALL_CONFIGDIR})
+    "${CMAKE_BINARY_DIR}/${CMAKE_FILES_DIRECTORY}/OpenMCConfig.cmake"
+    "${CMAKE_BINARY_DIR}/${CMAKE_FILES_DIRECTORY}/OpenMCConfigVersion.cmake"
+    DESTINATION "${INSTALL_CONFIGDIR}"
+)
+
 install(FILES man/man1/openmc.1 DESTINATION ${CMAKE_INSTALL_MANDIR}/man1)
 install(FILES LICENSE DESTINATION "${CMAKE_INSTALL_DOCDIR}" RENAME copyright)
 install(DIRECTORY include/ DESTINATION ${CMAKE_INSTALL_INCLUDEDIR})
diff --git a/cmake/OpenMCConfig.cmake.in b/cmake/OpenMCConfig.cmake.in
index cc837bba7..0e15060a3 100644
--- a/cmake/OpenMCConfig.cmake.in
+++ b/cmake/OpenMCConfig.cmake.in
@@ -1,12 +1,18 @@
-get_filename_component(OpenMC_CMAKE_DIR "${CMAKE_CURRENT_LIST_FILE}" DIRECTORY)
+@PACKAGE_INIT@
 
-# Compute the install prefix from this file's location
-get_filename_component(_OPENMC_PREFIX "${OpenMC_CMAKE_DIR}/../../.." ABSOLUTE)
+include("${CMAKE_CURRENT_LIST_DIR}/OpenMCConfigVersion.cmake")
+include(CMakeFindDependencyMacro)
+
+# Explicitly calculate prefix if it was not generated above
+if(NOT DEFINED PACKAGE_PREFIX_DIR)
+  get_filename_component(PACKAGE_PREFIX_DIR "${CMAKE_CURRENT_LIST_DIR}/../../.." ABSOLUTE)
+endif()
+
+find_dependency(fmt CONFIG REQUIRED HINTS ${PACKAGE_PREFIX_DIR})
+find_dependency(pugixml CONFIG REQUIRED HINTS ${PACKAGE_PREFIX_DIR})
 
-find_package(fmt CONFIG REQUIRED HINTS ${_OPENMC_PREFIX})
-find_package(pugixml CONFIG REQUIRED HINTS ${_OPENMC_PREFIX})
 if(@OPENMC_USE_DAGMC@)
-  find_package(DAGMC REQUIRED HINTS @DAGMC_DIR@)
+  find_dependency(DAGMC REQUIRED HINTS @DAGMC_DIR@)
 endif()
 
 if(@OPENMC_USE_LIBMESH@)
@@ -16,20 +22,24 @@ if(@OPENMC_USE_LIBMESH@)
   pkg_check_modules(LIBMESH REQUIRED @LIBMESH_PC_FILE@>=1.7.0 IMPORTED_TARGET)
 endif()
 
-find_package(PNG)
-
-if(NOT TARGET OpenMC::libopenmc)
-  include("${OpenMC_CMAKE_DIR}/OpenMCTargets.cmake")
+if("@PNG_FOUND@")
+  find_dependency(PNG)
 endif()
 
 if(@OPENMC_USE_MPI@)
-  find_package(MPI REQUIRED)
+  find_dependency(MPI REQUIRED)
 endif()
 
 if(@OPENMC_USE_OPENMP@)
-  find_package(OpenMP REQUIRED)
+  find_dependency(OpenMP REQUIRED)
 endif()
 
 if(@OPENMC_USE_UWUW@ AND NOT ${DAGMC_BUILD_UWUW})
   message(FATAL_ERROR "UWUW is enabled in OpenMC but the DAGMC installation discovered was not configured with UWUW.")
 endif()
+
+include("${CMAKE_CURRENT_LIST_DIR}/OpenMCTargets.cmake")
+
+if(NOT OpenMC_FIND_QUIETLY)
+    message(STATUS "Found OpenMC: ${PACKAGE_VERSION} (found in ${PACKAGE_PREFIX_DIR})")
+endif()
diff --git a/cmake/OpenMCConfigVersion.cmake.in b/cmake/OpenMCConfigVersion.cmake.in
deleted file mode 100644
index 90d345de4..000000000
--- a/cmake/OpenMCConfigVersion.cmake.in
+++ /dev/null
@@ -1,11 +0,0 @@
-set(PACKAGE_VERSION "@OPENMC_VERSION@")
-
-# Check whether the requested PACKAGE_FIND_VERSION is compatible
-if("${PACKAGE_VERSION}" VERSION_LESS "${PACKAGE_FIND_VERSION}")
-  set(PACKAGE_VERSION_COMPATIBLE FALSE)
-else()
-  set(PACKAGE_VERSION_COMPATIBLE TRUE)
-  if ("${PACKAGE_VERSION}" VERSION_EQUAL "${PACKAGE_FIND_VERSION}")
-    set(PACKAGE_VERSION_EXACT TRUE)
-  endif()
-endif()

From 1914e3eefa7560791056ad9c06bcb542fe19204c Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 29 May 2026 21:53:45 -0500
Subject: [PATCH 2610/2654] Support endf.Material in `from_endf` methods
 (#3932)

---
 openmc/data/angle_distribution.py     |  7 +++---
 openmc/data/decay.py                  | 25 +++++++-------------
 openmc/data/endf.py                   | 34 +++++++++++++++++++++------
 openmc/data/fission_energy.py         |  7 +++---
 openmc/data/neutron.py                | 10 ++++----
 openmc/data/photon.py                 | 22 +++++++----------
 openmc/data/reaction.py               |  7 +++---
 openmc/data/resonance.py              |  7 ++++--
 openmc/data/resonance_covariance.py   |  3 ++-
 openmc/data/thermal.py                |  7 ++----
 openmc/deplete/chain.py               | 12 +++++-----
 tests/unit_tests/test_data_decay.py   | 22 +++++++++++++++++
 tests/unit_tests/test_data_neutron.py | 22 +++++++++++++++++
 tests/unit_tests/test_data_photon.py  | 24 +++++++++++++++++++
 tests/unit_tests/test_data_thermal.py | 12 ++++++++++
 tests/unit_tests/test_endf.py         | 11 +++++++++
 16 files changed, 166 insertions(+), 66 deletions(-)

diff --git a/openmc/data/angle_distribution.py b/openmc/data/angle_distribution.py
index e59ffa0c7..778139cc2 100644
--- a/openmc/data/angle_distribution.py
+++ b/openmc/data/angle_distribution.py
@@ -10,8 +10,8 @@ from openmc.mixin import EqualityMixin
 from openmc.stats import Univariate, Tabular, Uniform, Legendre
 from .function import INTERPOLATION_SCHEME
 from .data import EV_PER_MEV
-from .endf import get_head_record, get_cont_record, get_tab1_record, \
-    get_list_record, get_tab2_record
+from .endf import as_evaluation, get_head_record, get_cont_record, \
+    get_tab1_record, get_list_record, get_tab2_record
 
 
 class AngleDistribution(EqualityMixin):
@@ -213,7 +213,7 @@ class AngleDistribution(EqualityMixin):
 
         Parameters
         ----------
-        ev : openmc.data.endf.Evaluation
+        ev : openmc.data.endf.Evaluation or endf.Material
             ENDF evaluation
         mt : int
             The MT value of the reaction to get angular distributions for
@@ -224,6 +224,7 @@ class AngleDistribution(EqualityMixin):
             Angular distribution
 
         """
+        ev = as_evaluation(ev)
         file_obj = StringIO(ev.section[4, mt])
 
         # Read HEAD record
diff --git a/openmc/data/decay.py b/openmc/data/decay.py
index ce20a252c..5f95e1281 100644
--- a/openmc/data/decay.py
+++ b/openmc/data/decay.py
@@ -14,7 +14,8 @@ from openmc.mixin import EqualityMixin
 from openmc.stats import Discrete, Tabular, Univariate, combine_distributions
 from .data import gnds_name, zam
 from .function import INTERPOLATION_SCHEME
-from .endf import Evaluation, get_head_record, get_list_record, get_tab1_record
+from .endf import (
+    as_evaluation, get_head_record, get_list_record, get_tab1_record)
 
 
 # Gives name and (change in A, change in Z) resulting from decay
@@ -75,7 +76,7 @@ class FissionProductYields(EqualityMixin):
 
     Parameters
     ----------
-    ev_or_filename : str of openmc.data.endf.Evaluation
+    ev_or_filename : str, openmc.data.endf.Evaluation, or endf.Material
         ENDF fission product yield evaluation to read from. If given as a
         string, it is assumed to be the filename for the ENDF file.
 
@@ -133,11 +134,7 @@ class FissionProductYields(EqualityMixin):
 
             return energies, data
 
-        # Get evaluation if str is passed
-        if isinstance(ev_or_filename, Evaluation):
-            ev = ev_or_filename
-        else:
-            ev = Evaluation(ev_or_filename)
+        ev = as_evaluation(ev_or_filename)
 
         # Assign basic nuclide properties
         self.nuclide = {
@@ -164,7 +161,7 @@ class FissionProductYields(EqualityMixin):
 
         Parameters
         ----------
-        ev_or_filename : str or openmc.data.endf.Evaluation
+        ev_or_filename : str, openmc.data.endf.Evaluation, or endf.Material
             ENDF fission product yield evaluation to read from. If given as a
             string, it is assumed to be the filename for the ENDF file.
 
@@ -292,7 +289,7 @@ class Decay(EqualityMixin):
 
     Parameters
     ----------
-    ev_or_filename : str of openmc.data.endf.Evaluation
+    ev_or_filename : str, openmc.data.endf.Evaluation, or endf.Material
         ENDF radioactive decay data evaluation to read from. If given as a
         string, it is assumed to be the filename for the ENDF file.
 
@@ -323,11 +320,7 @@ class Decay(EqualityMixin):
 
     """
     def __init__(self, ev_or_filename):
-        # Get evaluation if str is passed
-        if isinstance(ev_or_filename, Evaluation):
-            ev = ev_or_filename
-        else:
-            ev = Evaluation(ev_or_filename)
+        ev = as_evaluation(ev_or_filename)
 
         file_obj = StringIO(ev.section[8, 457])
 
@@ -486,7 +479,7 @@ class Decay(EqualityMixin):
 
         Parameters
         ----------
-        ev_or_filename : str or openmc.data.endf.Evaluation
+        ev_or_filename : str, openmc.data.endf.Evaluation, or endf.Material
             ENDF radioactive decay data evaluation to read from. If given as a
             string, it is assumed to be the filename for the ENDF file.
 
@@ -649,5 +642,3 @@ def decay_energy(nuclide: str):
             warn(f"Chain file '{chain_file}' does not have any decay energy.")
 
     return _DECAY_ENERGY.get(nuclide, 0.0)
-
-
diff --git a/openmc/data/endf.py b/openmc/data/endf.py
index c50431dc7..edd8afffb 100644
--- a/openmc/data/endf.py
+++ b/openmc/data/endf.py
@@ -12,7 +12,12 @@ import re
 
 from .data import gnds_name
 from .function import Tabulated1D
-from endf.material import _LIBRARY, _SUBLIBRARY, get_materials as get_evaluations
+from endf.material import (
+    Material,
+    _LIBRARY,
+    _SUBLIBRARY,
+    get_materials as get_evaluations,
+)
 from endf.incident_neutron import SUM_RULES
 from endf.records import (
     float_endf,
@@ -44,7 +49,7 @@ class Evaluation:
 
     Parameters
     ----------
-    filename_or_obj : str or file-like
+    filename_or_obj : str, file-like, or endf.Material
         Path to ENDF file to read or an open file positioned at the start of an
         ENDF material
 
@@ -64,17 +69,25 @@ class Evaluation:
 
     """
     def __init__(self, filename_or_obj):
+        self.section = {}
+        self.info = {}
+        self.target = {}
+        self.projectile = {}
+        self.reaction_list = []
+
+        if isinstance(filename_or_obj, Material):
+            self.section = dict(filename_or_obj.section_text)
+            self.section_data = filename_or_obj.section_data
+            self.material = filename_or_obj.MAT
+            self._read_header()
+            return
+
         if isinstance(filename_or_obj, (str, PurePath)):
             fh = open(str(filename_or_obj), 'r')
             need_to_close = True
         else:
             fh = filename_or_obj
             need_to_close = False
-        self.section = {}
-        self.info = {}
-        self.target = {}
-        self.projectile = {}
-        self.reaction_list = []
 
         # Skip TPID record. Evaluators sometimes put in TPID records that are
         # ill-formated because they lack MF/MT values or put them in the wrong
@@ -199,3 +212,10 @@ class Evaluation:
                          self.target['mass_number'],
                          self.target['isomeric_state'])
 
+
+def as_evaluation(ev_or_filename):
+    """Return an object supporting OpenMC's legacy Evaluation interface."""
+    if isinstance(ev_or_filename, Evaluation):
+        return ev_or_filename
+    else:
+        return Evaluation(ev_or_filename)
diff --git a/openmc/data/fission_energy.py b/openmc/data/fission_energy.py
index 3c7998ee2..e4fac087a 100644
--- a/openmc/data/fission_energy.py
+++ b/openmc/data/fission_energy.py
@@ -5,7 +5,8 @@ from io import StringIO
 import openmc.checkvalue as cv
 from openmc.mixin import EqualityMixin
 from .data import EV_PER_MEV
-from .endf import get_cont_record, get_list_record, get_tab1_record, Evaluation
+from .endf import (
+    as_evaluation, get_cont_record, get_list_record, get_tab1_record)
 from .function import Function1D, Tabulated1D, Polynomial, sum_functions
 
 
@@ -195,7 +196,7 @@ class FissionEnergyRelease(EqualityMixin):
 
         Parameters
         ----------
-        ev : openmc.data.endf.Evaluation
+        ev : openmc.data.endf.Evaluation or endf.Material
             ENDF evaluation
         incident_neutron : openmc.data.IncidentNeutron
             Corresponding incident neutron dataset
@@ -206,7 +207,7 @@ class FissionEnergyRelease(EqualityMixin):
             Fission energy release data
 
         """
-        cv.check_type('evaluation', ev, Evaluation)
+        ev = as_evaluation(ev)
 
         # Check to make sure this ENDF file matches the expected isomer.
         if ev.target['atomic_number'] != incident_neutron.atomic_number:
diff --git a/openmc/data/neutron.py b/openmc/data/neutron.py
index 492cdd7f3..f17bb3fe4 100644
--- a/openmc/data/neutron.py
+++ b/openmc/data/neutron.py
@@ -13,7 +13,8 @@ from . import HDF5_VERSION, HDF5_VERSION_MAJOR
 from .ace import Library, Table, get_table, get_metadata
 from .data import ATOMIC_SYMBOL, K_BOLTZMANN, EV_PER_MEV, gnds_name
 from .endf import (
-    Evaluation, SUM_RULES, get_head_record, get_tab1_record, get_evaluations)
+    Evaluation, SUM_RULES, as_evaluation, get_head_record, get_tab1_record,
+    get_evaluations)
 from .fission_energy import FissionEnergyRelease
 from .function import Tabulated1D, Sum, ResonancesWithBackground
 from .njoy import make_ace, make_pendf
@@ -652,7 +653,7 @@ class IncidentNeutron(EqualityMixin):
 
         Parameters
         ----------
-        ev_or_filename : openmc.data.endf.Evaluation or str
+        ev_or_filename : openmc.data.endf.Evaluation, endf.Material, or str
             ENDF evaluation to read from. If given as a string, it is assumed to
             be the filename for the ENDF file.
 
@@ -666,10 +667,7 @@ class IncidentNeutron(EqualityMixin):
             Incident neutron continuous-energy data
 
         """
-        if isinstance(ev_or_filename, Evaluation):
-            ev = ev_or_filename
-        else:
-            ev = Evaluation(ev_or_filename)
+        ev = as_evaluation(ev_or_filename)
 
         atomic_number = ev.target['atomic_number']
         mass_number = ev.target['mass_number']
diff --git a/openmc/data/photon.py b/openmc/data/photon.py
index bc21b2e56..13cd3ec95 100644
--- a/openmc/data/photon.py
+++ b/openmc/data/photon.py
@@ -15,7 +15,8 @@ from openmc.mixin import EqualityMixin
 from . import HDF5_VERSION, HDF5_VERSION_MAJOR
 from .ace import Table, get_metadata, get_table
 from .data import ATOMIC_SYMBOL, EV_PER_MEV
-from .endf import Evaluation, get_head_record, get_tab1_record, get_list_record
+from .endf import (
+    as_evaluation, get_head_record, get_tab1_record, get_list_record)
 from .function import Tabulated1D
 
 
@@ -272,7 +273,7 @@ class AtomicRelaxation(EqualityMixin):
 
         Parameters
         ----------
-        ev_or_filename : str or openmc.data.endf.Evaluation
+        ev_or_filename : str, openmc.data.endf.Evaluation, or endf.Material
             ENDF atomic relaxation evaluation to read from. If given as a
             string, it is assumed to be the filename for the ENDF file.
 
@@ -282,10 +283,7 @@ class AtomicRelaxation(EqualityMixin):
             Atomic relaxation data
 
         """
-        if isinstance(ev_or_filename, Evaluation):
-            ev = ev_or_filename
-        else:
-            ev = Evaluation(ev_or_filename)
+        ev = as_evaluation(ev_or_filename)
 
         # Atomic relaxation data is always MF=28, MT=533
         if (28, 533) not in ev.section:
@@ -606,10 +604,10 @@ class IncidentPhoton(EqualityMixin):
 
         Parameters
         ----------
-        photoatomic : str or openmc.data.endf.Evaluation
+        photoatomic : str, openmc.data.endf.Evaluation, or endf.Material
             ENDF photoatomic data evaluation to read from. If given as a string,
             it is assumed to be the filename for the ENDF file.
-        relaxation : str or openmc.data.endf.Evaluation, optional
+        relaxation : str, openmc.data.endf.Evaluation, or endf.Material, optional
             ENDF atomic relaxation data evaluation to read from. If given as a
             string, it is assumed to be the filename for the ENDF file.
 
@@ -619,10 +617,7 @@ class IncidentPhoton(EqualityMixin):
             Photon interaction data
 
         """
-        if isinstance(photoatomic, Evaluation):
-            ev = photoatomic
-        else:
-            ev = Evaluation(photoatomic)
+        ev = as_evaluation(photoatomic)
 
         Z = ev.target['atomic_number']
         data = cls(Z)
@@ -1071,7 +1066,7 @@ class PhotonReaction(EqualityMixin):
 
         Parameters
         ----------
-        ev : openmc.data.endf.Evaluation
+        ev : openmc.data.endf.Evaluation or endf.Material
             ENDF photo-atomic interaction data evaluation
         mt : int
             The MT value of the reaction to get data for
@@ -1082,6 +1077,7 @@ class PhotonReaction(EqualityMixin):
             Photon reaction data
 
         """
+        ev = as_evaluation(ev)
         rx = cls(mt)
 
         # Read photon cross section
diff --git a/openmc/data/reaction.py b/openmc/data/reaction.py
index ab1285b72..44ced5511 100644
--- a/openmc/data/reaction.py
+++ b/openmc/data/reaction.py
@@ -13,8 +13,8 @@ from .angle_distribution import AngleDistribution
 from .angle_energy import AngleEnergy
 from .correlated import CorrelatedAngleEnergy
 from .data import ATOMIC_SYMBOL, K_BOLTZMANN, EV_PER_MEV
-from .endf import get_head_record, get_tab1_record, get_list_record, \
-    get_tab2_record, get_cont_record
+from .endf import as_evaluation, get_head_record, get_tab1_record, \
+    get_list_record, get_tab2_record, get_cont_record
 from .energy_distribution import EnergyDistribution, LevelInelastic, \
     DiscretePhoton
 from .function import Tabulated1D, Polynomial
@@ -1151,7 +1151,7 @@ class Reaction(EqualityMixin):
 
         Parameters
         ----------
-        ev : openmc.data.endf.Evaluation
+        ev : openmc.data.endf.Evaluation or endf.Material
             ENDF evaluation
         mt : int
             The MT value of the reaction to get data for
@@ -1162,6 +1162,7 @@ class Reaction(EqualityMixin):
             Reaction data
 
         """
+        ev = as_evaluation(ev)
         rx = Reaction(mt)
 
         # Integrated cross section
diff --git a/openmc/data/resonance.py b/openmc/data/resonance.py
index 31e230df5..52ee7f1a9 100644
--- a/openmc/data/resonance.py
+++ b/openmc/data/resonance.py
@@ -7,7 +7,9 @@ import pandas as pd
 
 import openmc.checkvalue as cv
 from .data import NEUTRON_MASS
-from .endf import get_head_record, get_cont_record, get_tab1_record, get_list_record
+from .endf import (
+    as_evaluation, get_head_record, get_cont_record, get_tab1_record,
+    get_list_record)
 try:
     from .reconstruct import wave_number, penetration_shift, reconstruct_mlbw, \
         reconstruct_slbw, reconstruct_rm
@@ -77,7 +79,7 @@ class Resonances:
 
         Parameters
         ----------
-        ev : openmc.data.endf.Evaluation
+        ev : openmc.data.endf.Evaluation or endf.Material
             ENDF evaluation
 
         Returns
@@ -86,6 +88,7 @@ class Resonances:
             Resonance data
 
         """
+        ev = as_evaluation(ev)
         file_obj = io.StringIO(ev.section[2, 151])
 
         # Determine whether discrete or continuous representation
diff --git a/openmc/data/resonance_covariance.py b/openmc/data/resonance_covariance.py
index 709657044..aa86ae33c 100644
--- a/openmc/data/resonance_covariance.py
+++ b/openmc/data/resonance_covariance.py
@@ -74,7 +74,7 @@ class ResonanceCovariances(Resonances):
 
         Parameters
         ----------
-        ev : openmc.data.endf.Evaluation
+        ev : openmc.data.endf.Evaluation or endf.Material
             ENDF evaluation
         resonances : openmc.data.Resonance object
             openmc.data.Resonanance object generated from the same evaluation
@@ -86,6 +86,7 @@ class ResonanceCovariances(Resonances):
             Resonance covariance data
 
         """
+        ev = endf.as_evaluation(ev)
         file_obj = io.StringIO(ev.section[32, 151])
 
         # Determine whether discrete or continuous representation
diff --git a/openmc/data/thermal.py b/openmc/data/thermal.py
index 54e3a7330..3b910c535 100644
--- a/openmc/data/thermal.py
+++ b/openmc/data/thermal.py
@@ -1042,7 +1042,7 @@ class ThermalScattering(EqualityMixin):
 
         Parameters
         ----------
-        ev_or_filename : openmc.data.endf.Evaluation or str
+        ev_or_filename : openmc.data.endf.Evaluation, endf.Material, or str
             ENDF evaluation to read from. If given as a string, it is assumed to
             be the filename for the ENDF file.
         divide_incoherent_elastic : bool
@@ -1056,10 +1056,7 @@ class ThermalScattering(EqualityMixin):
             Thermal scattering data
 
         """
-        if isinstance(ev_or_filename, endf.Evaluation):
-            ev = ev_or_filename
-        else:
-            ev = endf.Evaluation(ev_or_filename)
+        ev = endf.as_evaluation(ev_or_filename)
 
         # Read incoherent inelastic data
         assert (7, 4) in ev.section, 'No MF=7, MT=4 found in thermal scattering'
diff --git a/openmc/deplete/chain.py b/openmc/deplete/chain.py
index 42d4ab07e..a2ff6dea0 100644
--- a/openmc/deplete/chain.py
+++ b/openmc/deplete/chain.py
@@ -319,16 +319,16 @@ class Chain:
 
         String arguments in ``decay_files``, ``fpy_files``, and
         ``neutron_files`` will be treated as file names to be read.
-        Alternatively, :class:`openmc.data.endf.Evaluation` instances
-        can be included in these arguments.
+        Alternatively, :class:`openmc.data.endf.Evaluation` or
+        ``endf.Material`` instances can be included in these arguments.
 
         Parameters
         ----------
-        decay_files : list of str or openmc.data.endf.Evaluation
+        decay_files : list of str, openmc.data.endf.Evaluation, or endf.Material
             List of ENDF decay sub-library files
-        fpy_files : list of str or openmc.data.endf.Evaluation
+        fpy_files : list of str, openmc.data.endf.Evaluation, or endf.Material
             List of ENDF neutron-induced fission product yield sub-library files
-        neutron_files : list of str or openmc.data.endf.Evaluation
+        neutron_files : list of str, openmc.data.endf.Evaluation, or endf.Material
             List of ENDF neutron reaction sub-library files
         reactions : iterable of str, optional
             Transmutation reactions to include in the depletion chain, e.g.,
@@ -363,7 +363,7 @@ class Chain:
             print('Processing neutron sub-library files...')
         reactions = {}
         for f in neutron_files:
-            evaluation = openmc.data.endf.Evaluation(f)
+            evaluation = openmc.data.endf.as_evaluation(f)
             name = evaluation.gnds_name
             reactions[name] = {}
             for mf, mt, nc, mod in evaluation.reaction_list:
diff --git a/tests/unit_tests/test_data_decay.py b/tests/unit_tests/test_data_decay.py
index de8d90a43..a48c55325 100644
--- a/tests/unit_tests/test_data_decay.py
+++ b/tests/unit_tests/test_data_decay.py
@@ -100,6 +100,28 @@ def test_fpy(u235_yields):
     ufloat_close(thermal['I135'], ufloat(0.0292737, 0.000819663))
 
 
+def test_decay_from_endf_material(endf_data):
+    filename = os.path.join(endf_data, 'decay', 'dec-041_Nb_090.endf')
+    material = openmc.data.endf.get_evaluations(filename)[0]
+
+    data = openmc.data.Decay.from_endf(material)
+
+    assert data.nuclide['name'] == 'Nb90'
+    assert not data.nuclide['stable']
+    assert len(data.modes) == 2
+
+
+def test_fpy_from_endf_material(endf_data):
+    filename = os.path.join(endf_data, 'nfy', 'nfy-092_U_235.endf')
+    material = openmc.data.endf.get_evaluations(filename)[0]
+
+    data = openmc.data.FissionProductYields.from_endf(material)
+
+    assert data.nuclide['name'] == 'U235'
+    assert data.energies == pytest.approx([0.0253, 500.e3, 1.4e7])
+    assert 'I135' in data.cumulative[0]
+
+
 def test_sources(ba137m, nb90):
     # Running .sources twice should give same objects
     sources = ba137m.sources
diff --git a/tests/unit_tests/test_data_neutron.py b/tests/unit_tests/test_data_neutron.py
index d43d93ae5..c767f0171 100644
--- a/tests/unit_tests/test_data_neutron.py
+++ b/tests/unit_tests/test_data_neutron.py
@@ -133,6 +133,28 @@ def test_attributes(pu239):
     assert pu239.atomic_weight_ratio == pytest.approx(236.9986)
 
 
+def test_from_endf_material(endf_data):
+    filename = os.path.join(endf_data, 'neutrons', 'n-001_H_001.endf')
+    material = openmc.data.endf.get_evaluations(filename)[0]
+
+    data = openmc.data.IncidentNeutron.from_endf(material)
+
+    assert data.name == 'H1'
+    assert data.atomic_number == 1
+    assert data.mass_number == 1
+    assert 2 in data.reactions
+
+
+def test_fission_energy_from_endf_material(endf_data):
+    filename = os.path.join(endf_data, 'neutrons', 'n-092_U_235.endf')
+    material = openmc.data.endf.get_evaluations(filename)[0]
+    neutron = openmc.data.IncidentNeutron.from_endf(material)
+
+    data = openmc.data.FissionEnergyRelease.from_endf(material, neutron)
+
+    assert data.fragments(0.0) > 0.0
+
+
 def test_fission_energy(pu239):
     fer = pu239.fission_energy
     assert isinstance(fer, openmc.data.FissionEnergyRelease)
diff --git a/tests/unit_tests/test_data_photon.py b/tests/unit_tests/test_data_photon.py
index 98b180f52..aceb82c3a 100644
--- a/tests/unit_tests/test_data_photon.py
+++ b/tests/unit_tests/test_data_photon.py
@@ -149,3 +149,27 @@ def test_photodat_only(run_in_tmpdir, endf_data):
     photoatomic_file = endf_dir / 'photoat' / 'photoat-001_H_000.endf'
     data = openmc.data.IncidentPhoton.from_endf(photoatomic_file)
     data.export_to_hdf5('tmp.h5', 'w')
+
+
+def test_from_endf_material(endf_data):
+    endf_dir = Path(endf_data)
+    photoatomic_file = endf_dir / 'photoat' / 'photoat-001_H_000.endf'
+    relaxation_file = endf_dir / 'atomic_relax' / 'atom-001_H_000.endf'
+    photoatomic = openmc.data.endf.get_evaluations(photoatomic_file)[0]
+    relaxation = openmc.data.endf.get_evaluations(relaxation_file)[0]
+
+    data = openmc.data.IncidentPhoton.from_endf(photoatomic, relaxation)
+
+    assert data.atomic_number == 1
+    assert 502 in data.reactions
+    assert data.atomic_relaxation.binding_energy['K'] == pytest.approx(13.61)
+
+
+def test_atomic_relaxation_from_endf_material(endf_data):
+    filename = Path(endf_data) / 'atomic_relax' / 'atom-001_H_000.endf'
+    material = openmc.data.endf.get_evaluations(filename)[0]
+
+    data = openmc.data.AtomicRelaxation.from_endf(material)
+
+    assert data.binding_energy['K'] == pytest.approx(13.61)
+    assert data.num_electrons['K'] == pytest.approx(1.0)
diff --git a/tests/unit_tests/test_data_thermal.py b/tests/unit_tests/test_data_thermal.py
index 7cd63ca71..81ed42b41 100644
--- a/tests/unit_tests/test_data_thermal.py
+++ b/tests/unit_tests/test_data_thermal.py
@@ -148,6 +148,18 @@ def test_h2o_endf(endf_data):
                                 '600K', '650K', '800K']
 
 
+def test_from_endf_material(endf_data):
+    filename = os.path.join(endf_data, 'thermal_scatt', 'tsl-HinH2O.endf')
+    material = openmc.data.endf.get_evaluations(filename)[0]
+
+    h2o = openmc.data.ThermalScattering.from_endf(
+        material, divide_incoherent_elastic=True)
+
+    assert not h2o.elastic
+    assert h2o.atomic_weight_ratio == pytest.approx(0.99917)
+    assert h2o.temperatures[0] == '294K'
+
+
 def test_hzrh_attributes(hzrh):
     assert hzrh.atomic_weight_ratio == pytest.approx(0.99917)
     assert hzrh.energy_max == pytest.approx(1.9734)
diff --git a/tests/unit_tests/test_endf.py b/tests/unit_tests/test_endf.py
index 1d4982054..cdd21d7a6 100644
--- a/tests/unit_tests/test_endf.py
+++ b/tests/unit_tests/test_endf.py
@@ -2,6 +2,17 @@ from openmc.data import endf
 from pytest import approx
 
 
+def test_evaluation_from_material(endf_data):
+    filename = f'{endf_data}/neutrons/n-001_H_001.endf'
+    material = endf.get_evaluations(filename)[0]
+    evaluation = endf.Evaluation(material)
+
+    assert evaluation.material == material.MAT
+    assert evaluation.gnds_name == 'H1'
+    assert evaluation.section == material.section_text
+    assert evaluation.reaction_list == material[1, 451]['section_list']
+
+
 def test_float_endf():
     assert endf.float_endf('+3.2146') == approx(3.2146)
     assert endf.float_endf('.12345') == approx(0.12345)

From ddabe1c8c557b3d1228a6f5cb661bac5bb6582e4 Mon Sep 17 00:00:00 2001
From: Jon Shimwell <jon@proximafusion.com>
Date: Sat, 30 May 2026 05:25:22 +0200
Subject: [PATCH 2611/2654] Avoid storing inconsistent sum/sum_sq on summed D1S
 tallies (#3949)

Co-authored-by: shimwell <mail@jshimwell.com>
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/deplete/d1s.py        | 11 ++++++-----
 tests/unit_tests/test_d1s.py |  4 ++++
 2 files changed, 10 insertions(+), 5 deletions(-)

diff --git a/openmc/deplete/d1s.py b/openmc/deplete/d1s.py
index bc99fc42d..d85d2e8a7 100644
--- a/openmc/deplete/d1s.py
+++ b/openmc/deplete/d1s.py
@@ -186,8 +186,6 @@ def apply_time_correction(
 
     # Apply TCF, broadcasting to the correct dimensions
     tcf.shape = (1, -1, 1, 1, 1)
-    new_tally._sum = tally_sum * tcf
-    new_tally._sum_sq = tally_sum_sq * (tcf*tcf)
     new_tally._mean = tally_mean * tcf
     new_tally._std_dev = tally_std_dev * tcf
 
@@ -196,6 +194,8 @@ def apply_time_correction(
     if sum_nuclides:
         # Sum over parent nuclides (note that when combining different bins for
         # parent nuclide, we can't work directly on sum_sq)
+        new_tally._sum = None
+        new_tally._sum_sq = None
         new_tally._mean = new_tally.mean.sum(axis=1).reshape(shape)
         new_tally._std_dev = np.linalg.norm(new_tally.std_dev, axis=1).reshape(shape)
         new_tally._derived = True
@@ -203,9 +203,10 @@ def apply_time_correction(
         # Remove ParentNuclideFilter
         new_tally.filters.pop(i_filter)
     else:
-        # Change shape back to (filter combinations, nuclides, scores)
-        new_tally._sum.shape = shape
-        new_tally._sum_sq.shape = shape
+        # Apply TCF and change shape back to (filter combinations, nuclides,
+        # scores)
+        new_tally._sum = (tally_sum * tcf).reshape(shape)
+        new_tally._sum_sq = (tally_sum_sq * (tcf*tcf)).reshape(shape)
         new_tally._mean.shape = shape
         new_tally._std_dev.shape = shape
 
diff --git a/tests/unit_tests/test_d1s.py b/tests/unit_tests/test_d1s.py
index 8f3b62f40..49c1b3049 100644
--- a/tests/unit_tests/test_d1s.py
+++ b/tests/unit_tests/test_d1s.py
@@ -150,3 +150,7 @@ def test_apply_time_correction(run_in_tmpdir):
     result_summed.get_reshaped_data()
     result.get_pandas_dataframe()
     result_summed.get_pandas_dataframe()
+
+    # The summed tally is derived, so sum/sum_sq are None
+    assert result_summed.sum is None
+    assert result_summed.sum_sq is None

From 46d889613277c9d7df3b312fc27775508aef3a0b Mon Sep 17 00:00:00 2001
From: Bor Kos <kos.bor@gmail.com>
Date: Sat, 30 May 2026 05:25:38 +0200
Subject: [PATCH 2612/2654] Pulsed Height Tally in mixed neutron-gamma fields
 (#3937)

Co-authored-by: Bor Kos <bor.kos@bakerhughes.com>
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 src/physics.cpp                               |  11 +
 .../local_neutron/inputs_true.dat             |  40 ++++
 .../local_neutron/results_true.dat            | 201 ++++++++++++++++++
 .../{local => local_photon}/inputs_true.dat   |   2 +-
 .../{local => local_photon}/results_true.dat  |   0
 .../shared_neutron/inputs_true.dat            |  40 ++++
 .../shared_neutron/results_true.dat           | 201 ++++++++++++++++++
 .../{shared => shared_photon}/inputs_true.dat |   2 +-
 .../results_true.dat                          |   0
 tests/regression_tests/pulse_height/test.py   |  19 +-
 10 files changed, 505 insertions(+), 11 deletions(-)
 create mode 100644 tests/regression_tests/pulse_height/local_neutron/inputs_true.dat
 create mode 100644 tests/regression_tests/pulse_height/local_neutron/results_true.dat
 rename tests/regression_tests/pulse_height/{local => local_photon}/inputs_true.dat (97%)
 rename tests/regression_tests/pulse_height/{local => local_photon}/results_true.dat (100%)
 create mode 100644 tests/regression_tests/pulse_height/shared_neutron/inputs_true.dat
 create mode 100644 tests/regression_tests/pulse_height/shared_neutron/results_true.dat
 rename tests/regression_tests/pulse_height/{shared => shared_photon}/inputs_true.dat (97%)
 rename tests/regression_tests/pulse_height/{shared => shared_photon}/results_true.dat (100%)

diff --git a/src/physics.cpp b/src/physics.cpp
index 892b39479..dcc771329 100644
--- a/src/physics.cpp
+++ b/src/physics.cpp
@@ -1227,6 +1227,17 @@ void sample_secondary_photons(Particle& p, int i_nuclide)
     // Create the secondary photon
     bool created_photon = p.create_secondary(wgt, u, E, ParticleType::photon());
 
+    // Pre-add photon energy to pht_storage so pht_secondary_particles()
+    // subtraction results in net zero
+    if (created_photon && !model::active_pulse_height_tallies.empty()) {
+      auto it = std::find(model::pulse_height_cells.begin(),
+        model::pulse_height_cells.end(), p.lowest_coord().cell());
+      if (it != model::pulse_height_cells.end()) {
+        int index = std::distance(model::pulse_height_cells.begin(), it);
+        p.pht_storage()[index] += E;
+      }
+    }
+
     // Tag secondary particle with parent nuclide
     if (created_photon && settings::use_decay_photons) {
       p.local_secondary_bank().back().parent_nuclide =
diff --git a/tests/regression_tests/pulse_height/local_neutron/inputs_true.dat b/tests/regression_tests/pulse_height/local_neutron/inputs_true.dat
new file mode 100644
index 000000000..e25de58b0
--- /dev/null
+++ b/tests/regression_tests/pulse_height/local_neutron/inputs_true.dat
@@ -0,0 +1,40 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material id="1">
+      <density value="3.7" units="g/cm3"/>
+      <nuclide name="Na23" ao="1.0"/>
+      <nuclide name="I127" ao="1.0"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" name="inner sphere" material="1" region="-1" universe="1"/>
+    <cell id="2" name="outer sphere" material="void" region="1 -2" universe="1"/>
+    <surface id="1" type="sphere" coeffs="0.0 0.0 0.0 1"/>
+    <surface id="2" type="sphere" boundary="vacuum" coeffs="0.0 0.0 0.0 2"/>
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>100</particles>
+    <batches>5</batches>
+    <source type="independent" strength="1.0" particle="neutron">
+      <energy type="discrete">
+        <parameters>1000000.0 1.0</parameters>
+      </energy>
+    </source>
+    <photon_transport>true</photon_transport>
+    <shared_secondary_bank>false</shared_secondary_bank>
+  </settings>
+  <tallies>
+    <filter id="1" type="cell">
+      <bins>1</bins>
+    </filter>
+    <filter id="2" type="energy">
+      <bins>0.0 10000.0 20000.0 30000.0 40000.0 50000.0 60000.0 70000.0 80000.0 90000.0 100000.0 110000.0 120000.0 130000.0 140000.0 150000.0 160000.0 170000.0 180000.0 190000.0 200000.0 210000.0 220000.0 230000.0 240000.0 250000.0 260000.0 270000.0 280000.0 290000.0 300000.0 310000.0 320000.0 330000.0 340000.0 350000.0 360000.0 370000.0 380000.0 390000.0 400000.0 410000.0 420000.0 430000.0 440000.0 450000.0 460000.0 470000.0 480000.0 490000.0 500000.0 510000.0 520000.0 530000.0 540000.0 550000.0 560000.0 570000.0 580000.0 590000.0 600000.0 610000.0 620000.0 630000.0 640000.0 650000.0 660000.0 670000.0 680000.0 690000.0 700000.0 710000.0 720000.0 730000.0 740000.0 750000.0 760000.0 770000.0 780000.0 790000.0 800000.0 810000.0 820000.0 830000.0 840000.0 850000.0 860000.0 870000.0 880000.0 890000.0 900000.0 910000.0 920000.0 930000.0 940000.0 950000.0 960000.0 970000.0 980000.0 990000.0 1000000.0</bins>
+    </filter>
+    <tally id="1" name="pht tally">
+      <filters>1 2</filters>
+      <scores>pulse-height</scores>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/pulse_height/local_neutron/results_true.dat b/tests/regression_tests/pulse_height/local_neutron/results_true.dat
new file mode 100644
index 000000000..ffa284d92
--- /dev/null
+++ b/tests/regression_tests/pulse_height/local_neutron/results_true.dat
@@ -0,0 +1,201 @@
+tally 1:
+4.890000E+00
+4.784900E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+1.000000E-02
+1.000000E-04
+6.000000E-02
+1.800000E-03
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+1.000000E-02
+1.000000E-04
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+1.000000E-02
+1.000000E-04
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
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+0.000000E+00
+0.000000E+00
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+1.000000E-02
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+0.000000E+00
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diff --git a/tests/regression_tests/pulse_height/local/inputs_true.dat b/tests/regression_tests/pulse_height/local_photon/inputs_true.dat
similarity index 97%
rename from tests/regression_tests/pulse_height/local/inputs_true.dat
rename to tests/regression_tests/pulse_height/local_photon/inputs_true.dat
index 50e026bfb..84d033d85 100644
--- a/tests/regression_tests/pulse_height/local/inputs_true.dat
+++ b/tests/regression_tests/pulse_height/local_photon/inputs_true.dat
@@ -2,7 +2,7 @@
 <model>
   <materials>
     <material id="1">
-      <density value="3.7" units="g/cc"/>
+      <density value="3.7" units="g/cm3"/>
       <nuclide name="Na23" ao="1.0"/>
       <nuclide name="I127" ao="1.0"/>
     </material>
diff --git a/tests/regression_tests/pulse_height/local/results_true.dat b/tests/regression_tests/pulse_height/local_photon/results_true.dat
similarity index 100%
rename from tests/regression_tests/pulse_height/local/results_true.dat
rename to tests/regression_tests/pulse_height/local_photon/results_true.dat
diff --git a/tests/regression_tests/pulse_height/shared_neutron/inputs_true.dat b/tests/regression_tests/pulse_height/shared_neutron/inputs_true.dat
new file mode 100644
index 000000000..b13c53ef8
--- /dev/null
+++ b/tests/regression_tests/pulse_height/shared_neutron/inputs_true.dat
@@ -0,0 +1,40 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material id="1">
+      <density value="3.7" units="g/cm3"/>
+      <nuclide name="Na23" ao="1.0"/>
+      <nuclide name="I127" ao="1.0"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" name="inner sphere" material="1" region="-1" universe="1"/>
+    <cell id="2" name="outer sphere" material="void" region="1 -2" universe="1"/>
+    <surface id="1" type="sphere" coeffs="0.0 0.0 0.0 1"/>
+    <surface id="2" type="sphere" boundary="vacuum" coeffs="0.0 0.0 0.0 2"/>
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>100</particles>
+    <batches>5</batches>
+    <source type="independent" strength="1.0" particle="neutron">
+      <energy type="discrete">
+        <parameters>1000000.0 1.0</parameters>
+      </energy>
+    </source>
+    <photon_transport>true</photon_transport>
+    <shared_secondary_bank>true</shared_secondary_bank>
+  </settings>
+  <tallies>
+    <filter id="1" type="cell">
+      <bins>1</bins>
+    </filter>
+    <filter id="2" type="energy">
+      <bins>0.0 10000.0 20000.0 30000.0 40000.0 50000.0 60000.0 70000.0 80000.0 90000.0 100000.0 110000.0 120000.0 130000.0 140000.0 150000.0 160000.0 170000.0 180000.0 190000.0 200000.0 210000.0 220000.0 230000.0 240000.0 250000.0 260000.0 270000.0 280000.0 290000.0 300000.0 310000.0 320000.0 330000.0 340000.0 350000.0 360000.0 370000.0 380000.0 390000.0 400000.0 410000.0 420000.0 430000.0 440000.0 450000.0 460000.0 470000.0 480000.0 490000.0 500000.0 510000.0 520000.0 530000.0 540000.0 550000.0 560000.0 570000.0 580000.0 590000.0 600000.0 610000.0 620000.0 630000.0 640000.0 650000.0 660000.0 670000.0 680000.0 690000.0 700000.0 710000.0 720000.0 730000.0 740000.0 750000.0 760000.0 770000.0 780000.0 790000.0 800000.0 810000.0 820000.0 830000.0 840000.0 850000.0 860000.0 870000.0 880000.0 890000.0 900000.0 910000.0 920000.0 930000.0 940000.0 950000.0 960000.0 970000.0 980000.0 990000.0 1000000.0</bins>
+    </filter>
+    <tally id="1" name="pht tally">
+      <filters>1 2</filters>
+      <scores>pulse-height</scores>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/pulse_height/shared_neutron/results_true.dat b/tests/regression_tests/pulse_height/shared_neutron/results_true.dat
new file mode 100644
index 000000000..ffa284d92
--- /dev/null
+++ b/tests/regression_tests/pulse_height/shared_neutron/results_true.dat
@@ -0,0 +1,201 @@
+tally 1:
+4.890000E+00
+4.784900E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+1.000000E-02
+1.000000E-04
+6.000000E-02
+1.800000E-03
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+1.000000E-02
+1.000000E-04
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+1.000000E-02
+1.000000E-04
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+1.000000E-02
+1.000000E-04
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+1.000000E-02
+1.000000E-04
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
+0.000000E+00
diff --git a/tests/regression_tests/pulse_height/shared/inputs_true.dat b/tests/regression_tests/pulse_height/shared_photon/inputs_true.dat
similarity index 97%
rename from tests/regression_tests/pulse_height/shared/inputs_true.dat
rename to tests/regression_tests/pulse_height/shared_photon/inputs_true.dat
index c2aef829c..608410c50 100644
--- a/tests/regression_tests/pulse_height/shared/inputs_true.dat
+++ b/tests/regression_tests/pulse_height/shared_photon/inputs_true.dat
@@ -2,7 +2,7 @@
 <model>
   <materials>
     <material id="1">
-      <density value="3.7" units="g/cc"/>
+      <density value="3.7" units="g/cm3"/>
       <nuclide name="Na23" ao="1.0"/>
       <nuclide name="I127" ao="1.0"/>
     </material>
diff --git a/tests/regression_tests/pulse_height/shared/results_true.dat b/tests/regression_tests/pulse_height/shared_photon/results_true.dat
similarity index 100%
rename from tests/regression_tests/pulse_height/shared/results_true.dat
rename to tests/regression_tests/pulse_height/shared_photon/results_true.dat
diff --git a/tests/regression_tests/pulse_height/test.py b/tests/regression_tests/pulse_height/test.py
index 2cbb9152e..371fcbd0f 100644
--- a/tests/regression_tests/pulse_height/test.py
+++ b/tests/regression_tests/pulse_height/test.py
@@ -6,23 +6,24 @@ from openmc.utility_funcs import change_directory
 from tests.testing_harness import PyAPITestHarness
 
 
-@pytest.mark.parametrize("shared_secondary,subdir", [
-    (False, "local"),
-    (True, "shared"),
+@pytest.mark.parametrize("shared_secondary,particle", [
+    (False, "photon"),
+    (False, "neutron"),
+    (True, "photon"),
+    (True, "neutron")
 ])
-def test_pulse_height(shared_secondary, subdir):
+def test_pulse_height(shared_secondary, particle):
+    subdir = f"shared_{particle}" if shared_secondary else f"local_{particle}"
     with change_directory(subdir):
         openmc.reset_auto_ids()
         model = openmc.Model()
 
         # Define materials
         NaI = openmc.Material()
-        NaI.set_density('g/cc', 3.7)
+        NaI.set_density('g/cm3', 3.7)
         NaI.add_element('Na', 1.0)
         NaI.add_element('I', 1.0)
 
-        model.materials = openmc.Materials([NaI])
-
         # Define geometry: two spheres in each other
         s1 = openmc.Sphere(r=1)
         s2 = openmc.Sphere(r=2, boundary_type='vacuum')
@@ -38,14 +39,14 @@ def test_pulse_height(shared_secondary, subdir):
         model.settings.shared_secondary_bank = shared_secondary
         model.settings.source = openmc.IndependentSource(
             energy=openmc.stats.delta_function(1e6),
-            particle='photon'
+            particle=particle
         )
 
         # Define tallies
         tally = openmc.Tally(name="pht tally")
         tally.scores = ['pulse-height']
         cell_filter = openmc.CellFilter(inner_sphere)
-        energy_filter = openmc.EnergyFilter(np.linspace(0, 1_000_000, 101))
+        energy_filter = openmc.EnergyFilter(np.linspace(0, 1e6, 101))
         tally.filters = [cell_filter, energy_filter]
         model.tallies = [tally]
 

From 2dd5322fee0373f7810de32c6d4126bc728aa390 Mon Sep 17 00:00:00 2001
From: hugo-barthod <hugo.barthod@polytechnique.org>
Date: Sat, 30 May 2026 07:35:31 +0200
Subject: [PATCH 2613/2654] Fix undefined variable in openmc.mgxs.library
 (scatt_mgxs) (#3943)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/mgxs/library.py                        |   8 +
 ...at => inputs_true_multiplicity_matrix.dat} |   0
 .../inputs_true_scatter_matrix.dat            | 217 ++++++++++++++++++
 .../mgxs_library_ce_to_mg/test.py             |  24 +-
 4 files changed, 244 insertions(+), 5 deletions(-)
 rename tests/regression_tests/mgxs_library_ce_to_mg/{inputs_true.dat => inputs_true_multiplicity_matrix.dat} (100%)
 create mode 100644 tests/regression_tests/mgxs_library_ce_to_mg/inputs_true_scatter_matrix.dat

diff --git a/openmc/mgxs/library.py b/openmc/mgxs/library.py
index 78ab3ca19..faa83c048 100644
--- a/openmc/mgxs/library.py
+++ b/openmc/mgxs/library.py
@@ -1290,6 +1290,14 @@ class Library:
                       'are ignored since multiplicity or nu-scatter matrices '\
                       'were not tallied for ' + xsdata_name
                 warn(msg, RuntimeWarning)
+
+                if 'scatter matrix' in self.mgxs_types:
+                    scatt_mgxs = self.get_mgxs(domain, 'scatter matrix')
+                elif 'consistent scatter matrix' in self.mgxs_types:
+                    scatt_mgxs = self.get_mgxs(domain, 'consistent scatter matrix')
+                else:
+                    raise ValueError(f'No scatter matrix found for {xsdata_name}.')
+
                 xsdata.set_scatter_matrix_mgxs(scatt_mgxs, temperature=temperature,
                                                xs_type=xs_type,
                                                nuclide=[nuclide],
diff --git a/tests/regression_tests/mgxs_library_ce_to_mg/inputs_true.dat b/tests/regression_tests/mgxs_library_ce_to_mg/inputs_true_multiplicity_matrix.dat
similarity index 100%
rename from tests/regression_tests/mgxs_library_ce_to_mg/inputs_true.dat
rename to tests/regression_tests/mgxs_library_ce_to_mg/inputs_true_multiplicity_matrix.dat
diff --git a/tests/regression_tests/mgxs_library_ce_to_mg/inputs_true_scatter_matrix.dat b/tests/regression_tests/mgxs_library_ce_to_mg/inputs_true_scatter_matrix.dat
new file mode 100644
index 000000000..6e60f1b19
--- /dev/null
+++ b/tests/regression_tests/mgxs_library_ce_to_mg/inputs_true_scatter_matrix.dat
@@ -0,0 +1,217 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material id="7" name="UO2 (2.4%)" depletable="true">
+      <density value="10.29769" units="g/cm3"/>
+      <nuclide name="U234" ao="4.4843e-06"/>
+      <nuclide name="U235" ao="0.00055815"/>
+      <nuclide name="U238" ao="0.022408"/>
+      <nuclide name="O16" ao="0.045829"/>
+    </material>
+    <material id="8" name="Zircaloy">
+      <density value="6.55" units="g/cm3"/>
+      <nuclide name="Zr90" ao="0.021827"/>
+      <nuclide name="Zr91" ao="0.00476"/>
+      <nuclide name="Zr92" ao="0.0072758"/>
+      <nuclide name="Zr94" ao="0.0073734"/>
+      <nuclide name="Zr96" ao="0.0011879"/>
+    </material>
+    <material id="9" name="Hot borated water">
+      <density value="0.740582" units="g/cm3"/>
+      <nuclide name="H1" ao="0.049457"/>
+      <nuclide name="O16" ao="0.024672"/>
+      <nuclide name="B10" ao="8.0042e-06"/>
+      <nuclide name="B11" ao="3.2218e-05"/>
+      <sab name="c_H_in_H2O"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="4" name="Fuel" material="7" region="-7" universe="0"/>
+    <cell id="5" name="Cladding" material="8" region="7 -8" universe="0"/>
+    <cell id="6" name="Water" material="9" region="8 9 -10 11 -12" universe="0"/>
+    <surface id="7" name="Fuel OR" type="z-cylinder" coeffs="0 0 0.39218"/>
+    <surface id="8" name="Clad OR" type="z-cylinder" coeffs="0 0 0.4572"/>
+    <surface id="9" name="left" type="x-plane" boundary="reflective" coeffs="-0.63"/>
+    <surface id="10" name="right" type="x-plane" boundary="reflective" coeffs="0.63"/>
+    <surface id="11" name="bottom" type="y-plane" boundary="reflective" coeffs="-0.63"/>
+    <surface id="12" name="top" type="y-plane" boundary="reflective" coeffs="0.63"/>
+  </geometry>
+  <settings>
+    <run_mode>eigenvalue</run_mode>
+    <particles>100</particles>
+    <batches>10</batches>
+    <inactive>5</inactive>
+    <source type="independent" strength="1.0" particle="neutron">
+      <space type="box">
+        <parameters>-0.63 -0.63 -1 0.63 0.63 1</parameters>
+      </space>
+      <constraints>
+        <fissionable>true</fissionable>
+      </constraints>
+    </source>
+  </settings>
+  <tallies>
+    <filter id="43" type="material">
+      <bins>7</bins>
+    </filter>
+    <filter id="44" type="energy">
+      <bins>0.0 0.625 20000000.0</bins>
+    </filter>
+    <filter id="49" type="energyout">
+      <bins>0.0 0.625 20000000.0</bins>
+    </filter>
+    <filter id="53" type="legendre">
+      <order>3</order>
+    </filter>
+    <filter id="54" type="material">
+      <bins>8</bins>
+    </filter>
+    <filter id="65" type="material">
+      <bins>9</bins>
+    </filter>
+    <tally id="76">
+      <filters>43 44</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="77">
+      <filters>43 44</filters>
+      <nuclides>total</nuclides>
+      <scores>total</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="78">
+      <filters>43 44</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="79">
+      <filters>43 44</filters>
+      <nuclides>total</nuclides>
+      <scores>absorption</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="80">
+      <filters>43 44</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="81">
+      <filters>43 44 49</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="82">
+      <filters>43 44</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="83">
+      <filters>43 44 49 53</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="84">
+      <filters>54 44</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="85">
+      <filters>54 44</filters>
+      <nuclides>total</nuclides>
+      <scores>total</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="86">
+      <filters>54 44</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="87">
+      <filters>54 44</filters>
+      <nuclides>total</nuclides>
+      <scores>absorption</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="88">
+      <filters>54 44</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="89">
+      <filters>54 44 49</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="90">
+      <filters>54 44</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="91">
+      <filters>54 44 49 53</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="92">
+      <filters>65 44</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="93">
+      <filters>65 44</filters>
+      <nuclides>total</nuclides>
+      <scores>total</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="94">
+      <filters>65 44</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="95">
+      <filters>65 44</filters>
+      <nuclides>total</nuclides>
+      <scores>absorption</scores>
+      <estimator>tracklength</estimator>
+    </tally>
+    <tally id="96">
+      <filters>65 44</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="97">
+      <filters>65 44 49</filters>
+      <nuclides>total</nuclides>
+      <scores>nu-fission</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="98">
+      <filters>65 44</filters>
+      <nuclides>total</nuclides>
+      <scores>flux</scores>
+      <estimator>analog</estimator>
+    </tally>
+    <tally id="99">
+      <filters>65 44 49 53</filters>
+      <nuclides>total</nuclides>
+      <scores>scatter</scores>
+      <estimator>analog</estimator>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/mgxs_library_ce_to_mg/test.py b/tests/regression_tests/mgxs_library_ce_to_mg/test.py
index 075167f58..b68fbd6c3 100644
--- a/tests/regression_tests/mgxs_library_ce_to_mg/test.py
+++ b/tests/regression_tests/mgxs_library_ce_to_mg/test.py
@@ -9,7 +9,7 @@ from tests.regression_tests import config
 
 
 class MGXSTestHarness(PyAPITestHarness):
-    def __init__(self, *args, **kwargs):
+    def __init__(self, *args, scatter_mgxs_type=None, **kwargs):
         # Generate inputs using parent class routine
         super().__init__(*args, **kwargs)
 
@@ -19,8 +19,8 @@ class MGXSTestHarness(PyAPITestHarness):
         # Initialize MGXS Library for a few cross section types
         self.mgxs_lib = openmc.mgxs.Library(self._model.geometry)
         self.mgxs_lib.by_nuclide = False
-        self.mgxs_lib.mgxs_types = ['total', 'absorption', 'nu-fission matrix',
-                                    'nu-scatter matrix', 'multiplicity matrix']
+        self.mgxs_lib.mgxs_types = ['total', 'absorption', 'nu-fission matrix']
+        self.mgxs_lib.mgxs_types += scatter_mgxs_type
         self.mgxs_lib.energy_groups = energy_groups
         self.mgxs_lib.correction = None
         self.mgxs_lib.legendre_order = 3
@@ -69,9 +69,23 @@ class MGXSTestHarness(PyAPITestHarness):
             os.remove(f)
 
 
-def test_mgxs_library_ce_to_mg():
+def test_mgxs_library_ce_to_mg_multiplicity_matrix():
     # Set the input set to use the pincell model
     model = pwr_pin_cell()
 
-    harness = MGXSTestHarness('statepoint.10.h5', model)
+    harness = MGXSTestHarness(
+        'statepoint.10.h5', model,
+        inputs_true='inputs_true_multiplicity_matrix.dat',
+        scatter_mgxs_type=['nu-scatter matrix', 'multiplicity matrix']
+    )
+    harness.main()
+
+
+def test_mgxs_library_ce_to_mg_scatter_matrix():
+    # Set the input set to use the pincell model
+    model = pwr_pin_cell()
+
+    harness = MGXSTestHarness('statepoint.10.h5', model,
+                              inputs_true='inputs_true_scatter_matrix.dat',
+                              scatter_mgxs_type=['scatter matrix'])
     harness.main()

From 219d82726fa63e2ae4fc34ef854fae391a185b04 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Sat, 30 May 2026 08:10:05 +0200
Subject: [PATCH 2614/2654] Allow tracklength estimator for neutron heating
 (#3915)

Co-authored-by: Jon Shimwell <jon@proximafusion.com>
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 src/tallies/tally.cpp          | 20 ++++++++++++++--
 tests/unit_tests/test_tally.py | 44 ++++++++++++++++++++++++++++++++++
 2 files changed, 62 insertions(+), 2 deletions(-)

diff --git a/src/tallies/tally.cpp b/src/tallies/tally.cpp
index 3fe48c1b0..e4ea56e59 100644
--- a/src/tallies/tally.cpp
+++ b/src/tallies/tally.cpp
@@ -644,8 +644,24 @@ void Tally::set_scores(const vector<std::string>& scores)
       break;
 
     case HEATING:
-      if (settings::photon_transport)
-        estimator_ = TallyEstimator::COLLISION;
+      if (settings::photon_transport) {
+        // Photon heating requires a collision estimator (analog energy
+        // balance). However, if the tally only scores neutrons, we can keep the
+        // tracklength estimator since neutron heating uses kerma coefficients
+        // that support tracklength scoring.
+        bool neutron_only = false;
+        for (auto i_filt : filters_) {
+          auto pf =
+            dynamic_cast<ParticleFilter*>(model::tally_filters[i_filt].get());
+          if (pf && pf->particles().size() == 1 &&
+              pf->particles()[0].is_neutron()) {
+            neutron_only = true;
+            break;
+          }
+        }
+        if (!neutron_only)
+          estimator_ = TallyEstimator::COLLISION;
+      }
       break;
 
     case SCORE_PULSE_HEIGHT: {
diff --git a/tests/unit_tests/test_tally.py b/tests/unit_tests/test_tally.py
index 52647a36c..7136a621b 100644
--- a/tests/unit_tests/test_tally.py
+++ b/tests/unit_tests/test_tally.py
@@ -17,3 +17,47 @@ def test_tally_init_args():
     assert tally.filters == [filter]
     assert tally.nuclides == ['U235']
     assert tally.estimator == 'tracklength'
+
+
+def test_heating_estimator_with_photon_transport(run_in_tmpdir):
+    """Test that a neutron-only heating tally uses the tracklength estimator
+    even when photon transport is enabled.
+
+    Without a neutron particle filter, photon heating requires the collision
+    estimator (analog energy balance). But neutron heating has kerma
+    coefficients that support tracklength scoring, so a neutron-only tally
+    should keep the tracklength estimator.
+    """
+    mat = openmc.Material()
+    mat.add_nuclide('Si28', 1.0)
+    mat.set_density('g/cm3', 2.3)
+    sph = openmc.Sphere(r=10.0, boundary_type='vacuum')
+    cell = openmc.Cell(fill=mat, region=-sph)
+
+    model = openmc.Model()
+    model.geometry = openmc.Geometry([cell])
+    model.settings.run_mode = 'fixed source'
+    model.settings.particles = 100
+    model.settings.batches = 1
+    model.settings.photon_transport = True
+    model.settings.source = openmc.IndependentSource(
+        space=openmc.stats.Point()
+    )
+
+    neutron_filter = openmc.ParticleFilter(['neutron'])
+
+    # Neutron-only heating — should get tracklength estimator
+    t_neutron = openmc.Tally(name='heating_neutron')
+    t_neutron.filters = [neutron_filter]
+    t_neutron.scores = ['heating']
+
+    # No particle filter — should get collision estimator
+    t_all = openmc.Tally(name='heating_all')
+    t_all.scores = ['heating']
+
+    model.tallies = [t_neutron, t_all]
+
+    sp_filename = model.run()
+    with openmc.StatePoint(sp_filename) as sp:
+        assert sp.tallies[t_neutron.id].estimator == 'tracklength'
+        assert sp.tallies[t_all.id].estimator == 'collision'

From 111eb770668d2f8e39d7fd4524a08df8bf9819f5 Mon Sep 17 00:00:00 2001
From: EdenRochmanSharabi
 <91745090+EdenRochmanSharabi@users.noreply.github.com>
Date: Sat, 30 May 2026 08:18:09 +0200
Subject: [PATCH 2615/2654] Implement SphericalMesh.get_indices_at_coords
 (#3919)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/mesh.py                | 118 +++++++++++++++++++++++++++-------
 tests/unit_tests/test_mesh.py |  91 +++++++++++++++++++++++++-
 2 files changed, 184 insertions(+), 25 deletions(-)

diff --git a/openmc/mesh.py b/openmc/mesh.py
index 61effd850..ff8e14577 100644
--- a/openmc/mesh.py
+++ b/openmc/mesh.py
@@ -3,7 +3,7 @@ import warnings
 from abc import ABC, abstractmethod
 from collections.abc import Iterable, Sequence, Mapping
 from functools import wraps
-from math import pi, sqrt, atan2
+import math
 from numbers import Integral, Real
 from pathlib import Path
 from typing import Protocol
@@ -11,12 +11,10 @@ from typing import Protocol
 import h5py
 import lxml.etree as ET
 import numpy as np
-from pathlib import Path
 
 import openmc
 import openmc.checkvalue as cv
 from openmc.checkvalue import PathLike
-from openmc.utility_funcs import change_directory
 from .bounding_box import BoundingBox
 from ._xml import get_elem_list, get_text
 from .mixin import IDManagerMixin
@@ -291,7 +289,7 @@ class MeshBase(IDManagerMixin, ABC):
         """
         mesh_type = 'regular' if 'type' not in group.keys() else group['type'][()].decode()
         mesh_id = int(group.name.split('/')[-1].lstrip('mesh '))
-        mesh_name = '' if not 'name' in group else group['name'][()].decode()
+        mesh_name = '' if 'name' not in group else group['name'][()].decode()
 
         if mesh_type == 'regular':
             return RegularMesh.from_hdf5(group, mesh_id, mesh_name)
@@ -1903,7 +1901,7 @@ class CylindricalMesh(StructuredMesh):
         self,
         r_grid: Sequence[float],
         z_grid: Sequence[float],
-        phi_grid: Sequence[float] = (0, 2*pi),
+        phi_grid: Sequence[float] = (0, 2*math.pi),
         origin: Sequence[float] = (0., 0., 0.),
         mesh_id: int | None = None,
         name: str = '',
@@ -1960,7 +1958,7 @@ class CylindricalMesh(StructuredMesh):
         cv.check_length('mesh phi_grid', grid, 2)
         cv.check_increasing('mesh phi_grid', grid)
         grid = np.asarray(grid, dtype=float)
-        if np.any((grid < 0.0) | (grid > 2*pi)):
+        if np.any((grid < 0.0) | (grid > 2*math.pi)):
             raise ValueError("phi_grid values must be in [0, 2π].")
         self._phi_grid = grid
 
@@ -2028,9 +2026,9 @@ class CylindricalMesh(StructuredMesh):
         return string
 
     def get_indices_at_coords(
-            self,
-            coords: Sequence[float]
-        ) -> tuple[int, int, int]:
+        self,
+        coords: Sequence[float]
+    ) -> tuple[int, int, int]:
         """Finds the index of the mesh element at the specified coordinates.
 
         .. versionadded:: 0.15.0
@@ -2046,7 +2044,7 @@ class CylindricalMesh(StructuredMesh):
             The r, phi, z indices
 
         """
-        r_value_from_origin = sqrt((coords[0]-self.origin[0])**2 + (coords[1]-self.origin[1])**2)
+        r_value_from_origin = math.hypot(coords[0]-self.origin[0], coords[1]-self.origin[1])
 
         if r_value_from_origin < self.r_grid[0] or r_value_from_origin > self.r_grid[-1]:
             raise ValueError(
@@ -2070,13 +2068,13 @@ class CylindricalMesh(StructuredMesh):
         delta_x = coords[0] - self.origin[0]
         delta_y = coords[1] - self.origin[1]
         # atan2 returns values in -pi to +pi range
-        phi_value = atan2(delta_y, delta_x)
+        phi_value = math.atan2(delta_y, delta_x)
         if delta_x < 0 and delta_y < 0:
             # returned phi_value anticlockwise and negative
-            phi_value += 2 * pi
+            phi_value += 2 * math.pi
         if delta_x > 0 and delta_y < 0:
             # returned phi_value anticlockwise and negative
-            phi_value += 2 * pi
+            phi_value += 2 * math.pi
 
         phi_grid_values = np.array(self.phi_grid)
 
@@ -2111,7 +2109,7 @@ class CylindricalMesh(StructuredMesh):
         dimension: Sequence[int] = (10, 10, 10),
         mesh_id: int | None = None,
         name: str = '',
-        phi_grid_bounds: Sequence[float] = (0.0, 2*pi),
+        phi_grid_bounds: Sequence[float] = (0.0, 2*math.pi),
         enclose_domain: bool = False,
     ) -> CylindricalMesh:
         """Create CylindricalMesh from a bounding box.
@@ -2339,8 +2337,8 @@ class SphericalMesh(StructuredMesh):
     def __init__(
         self,
         r_grid: Sequence[float],
-        phi_grid: Sequence[float] = (0, 2*pi),
-        theta_grid: Sequence[float] = (0, pi),
+        phi_grid: Sequence[float] = (0, 2*math.pi),
+        theta_grid: Sequence[float] = (0, math.pi),
         origin: Sequence[float] = (0., 0., 0.),
         mesh_id: int | None = None,
         name: str = '',
@@ -2397,7 +2395,7 @@ class SphericalMesh(StructuredMesh):
         cv.check_length('mesh theta_grid', grid, 2)
         cv.check_increasing('mesh theta_grid', grid)
         grid = np.asarray(grid, dtype=float)
-        if np.any((grid < 0.0) | (grid > pi)):
+        if np.any((grid < 0.0) | (grid > math.pi)):
             raise ValueError("theta_grid values must be in [0, π].")
         self._theta_grid = grid
 
@@ -2411,7 +2409,7 @@ class SphericalMesh(StructuredMesh):
         cv.check_length('mesh phi_grid', grid, 2)
         cv.check_increasing('mesh phi_grid', grid)
         grid = np.asarray(grid, dtype=float)
-        if np.any((grid < 0.0) | (grid > 2*pi)):
+        if np.any((grid < 0.0) | (grid > 2*math.pi)):
             raise ValueError("phi_grid values must be in [0, 2π].")
         self._phi_grid = grid
 
@@ -2483,8 +2481,8 @@ class SphericalMesh(StructuredMesh):
         dimension: Sequence[int] = (10, 10, 10),
         mesh_id: int | None = None,
         name: str = '',
-        phi_grid_bounds: Sequence[float] = (0.0, 2*pi),
-        theta_grid_bounds: Sequence[float] = (0.0, pi),
+        phi_grid_bounds: Sequence[float] = (0.0, 2*math.pi),
+        theta_grid_bounds: Sequence[float] = (0.0, math.pi),
         enclose_domain: bool = False,
     ) -> SphericalMesh:
         """Create SphericalMesh from a bounding box.
@@ -2645,10 +2643,82 @@ class SphericalMesh(StructuredMesh):
         arr[..., 2] = z + origin[2]
         return arr
 
-    def get_indices_at_coords(self, coords: Sequence[float]) -> tuple:
-        raise NotImplementedError(
-            "get_indices_at_coords is not yet implemented for SphericalMesh"
-        )
+    def get_indices_at_coords(
+        self,
+        coords: Sequence[float]
+    ) -> tuple[int, int, int]:
+        """Find the mesh cell indices containing the specified coordinates.
+
+        .. versionadded:: 0.15.4
+
+        Parameters
+        ----------
+        coords : Sequence[float]
+            Cartesian coordinates of the point as (x, y, z).
+
+        Returns
+        -------
+        tuple[int, int, int]
+            The r, theta, phi indices.
+
+        Raises
+        ------
+        ValueError
+            If the coordinates fall outside the mesh grid boundaries.
+
+        """
+        dx = coords[0] - self.origin[0]
+        dy = coords[1] - self.origin[1]
+        dz = coords[2] - self.origin[2]
+
+        r_value = math.hypot(dx, dy, dz)
+
+        if r_value < self.r_grid[0] or r_value > self.r_grid[-1]:
+            raise ValueError(
+                f'The r value {r_value} computed from the specified '
+                f'coordinates is outside the r grid range '
+                f'[{self.r_grid[0]}, {self.r_grid[-1]}].'
+            )
+
+        r_index = int(min(
+            np.searchsorted(self.r_grid, r_value, side='right') - 1,
+            len(self.r_grid) - 2
+        ))
+
+        if r_value == 0.0:
+            theta_value = 0.0
+            phi_value = 0.0
+        else:
+            theta_value = math.acos(dz / r_value)
+            phi_value = math.atan2(dy, dx)
+            if phi_value < 0:
+                phi_value += 2 * math.pi
+
+        if theta_value < self.theta_grid[0] or theta_value > self.theta_grid[-1]:
+            raise ValueError(
+                f'The theta value {theta_value} computed from the specified '
+                f'coordinates is outside the theta grid range '
+                f'[{self.theta_grid[0]}, {self.theta_grid[-1]}].'
+            )
+
+        theta_index = int(min(
+            np.searchsorted(self.theta_grid, theta_value, side='right') - 1,
+            len(self.theta_grid) - 2
+        ))
+
+        if phi_value < self.phi_grid[0] or phi_value > self.phi_grid[-1]:
+            raise ValueError(
+                f'The phi value {phi_value} computed from the specified '
+                f'coordinates is outside the phi grid range '
+                f'[{self.phi_grid[0]}, {self.phi_grid[-1]}].'
+            )
+
+        phi_index = int(min(
+            np.searchsorted(self.phi_grid, phi_value, side='right') - 1,
+            len(self.phi_grid) - 2
+        ))
+
+        return (r_index, theta_index, phi_index)
 
 
 def require_statepoint_data(func):
diff --git a/tests/unit_tests/test_mesh.py b/tests/unit_tests/test_mesh.py
index 85cb68a83..9b1469fc5 100644
--- a/tests/unit_tests/test_mesh.py
+++ b/tests/unit_tests/test_mesh.py
@@ -1,4 +1,4 @@
-from math import pi
+from math import pi, sqrt
 from tempfile import TemporaryDirectory
 from pathlib import Path
 import itertools
@@ -1065,3 +1065,92 @@ def test_rectilinear_mesh_get_indices_at_coords():
         mesh.get_indices_at_coords([0.5, -0.5, 110.])
     with pytest.raises(ValueError):
         mesh.get_indices_at_coords([0.5, -20., 110.])
+
+
+def test_SphericalMesh_get_indices_at_coords():
+    """Test get_indices_at_coords method for SphericalMesh"""
+
+    # Basic mesh with default phi and theta grids (single angular bin)
+    mesh = openmc.SphericalMesh(r_grid=(0, 5, 10))
+
+    assert mesh.get_indices_at_coords([3, 0, 0]) == (0, 0, 0)
+    assert mesh.get_indices_at_coords([0, 0, 3]) == (0, 0, 0)
+    assert mesh.get_indices_at_coords([0, 0, -3]) == (0, 0, 0)
+    assert mesh.get_indices_at_coords([7, 0, 0]) == (1, 0, 0)
+    assert mesh.get_indices_at_coords([10, 0, 0]) == (1, 0, 0)
+
+    # Out-of-bounds r
+    with pytest.raises(ValueError):
+        mesh.get_indices_at_coords([11, 0, 0])
+
+    mesh2 = openmc.SphericalMesh(r_grid=(2, 5, 10))
+    with pytest.raises(ValueError):
+        mesh2.get_indices_at_coords([1, 0, 0])
+
+    # Multi-bin angular grids: use points clearly inside bins
+    mesh3 = openmc.SphericalMesh(
+        r_grid=(0, 5, 10),
+        theta_grid=(0, pi/4, pi/2, pi),
+        phi_grid=(0, pi/2, pi, 3*pi/2, 2*pi)
+    )
+
+    # Near z-axis: theta~0 -> bin 0
+    assert mesh3.get_indices_at_coords([0.01, 0, 3]) == (0, 0, 0)
+
+    # theta in (0, pi/4) -> bin 0: [1, 0, 2] theta=arccos(2/sqrt(5))~0.46
+    assert mesh3.get_indices_at_coords([1, 0, 2]) == (0, 0, 0)
+
+    # theta in (pi/4, pi/2) -> bin 1: [2, 0, 1] theta=arccos(1/sqrt(5))~1.107
+    assert mesh3.get_indices_at_coords([2, 0, 1]) == (0, 1, 0)
+
+    # theta in (pi/2, pi) -> bin 2: [1, 0, -2] theta=arccos(-2/sqrt(5))~2.034
+    assert mesh3.get_indices_at_coords([1, 0, -2]) == (0, 2, 0)
+
+    # phi in (pi/2, pi) -> bin 1: [-1, 1, 0.5]
+    assert mesh3.get_indices_at_coords([-1, 1, 0.5]) == (0, 1, 1)
+
+    # phi in (pi, 3*pi/2) -> bin 2: [-1, -1, 0.5]
+    assert mesh3.get_indices_at_coords([-1, -1, 0.5]) == (0, 1, 2)
+
+    # phi in (3*pi/2, 2*pi) -> bin 3: [1, -1, 0.5]
+    assert mesh3.get_indices_at_coords([1, -1, 0.5]) == (0, 1, 3)
+
+    # Non-default origin
+    mesh4 = openmc.SphericalMesh(
+        r_grid=(0, 5, 10),
+        origin=(100, 200, 300)
+    )
+
+    assert mesh4.get_indices_at_coords([103, 200, 300]) == (0, 0, 0)
+    assert mesh4.get_indices_at_coords([100, 200, 307]) == (1, 0, 0)
+
+    with pytest.raises(ValueError):
+        mesh4.get_indices_at_coords([111, 200, 300])
+
+    # Degenerate case: point at origin with r_grid starting at 0
+    mesh5 = openmc.SphericalMesh(r_grid=(0, 5))
+    assert mesh5.get_indices_at_coords([0, 0, 0]) == (0, 0, 0)
+
+    # Out-of-bounds theta: restricted theta grid
+    mesh6 = openmc.SphericalMesh(
+        r_grid=(0, 10),
+        theta_grid=(0, pi/4)
+    )
+    with pytest.raises(ValueError):
+        mesh6.get_indices_at_coords([5, 0, 0])  # theta=pi/2 > pi/4
+
+    # Out-of-bounds phi: restricted phi grid
+    mesh7 = openmc.SphericalMesh(
+        r_grid=(0, 10),
+        phi_grid=(0, pi/2)
+    )
+    with pytest.raises(ValueError):
+        mesh7.get_indices_at_coords([-5, 0, 0])  # phi=pi > pi/2
+
+    # Diagonal point: verify r, theta, phi all computed correctly
+    r = 6.0
+    val = r / sqrt(3)
+    result = mesh3.get_indices_at_coords([val, val, val])
+    assert result[0] == 1  # r=6 in second bin [5, 10]
+    assert result[1] == 1  # theta=arccos(1/sqrt(3))~0.955, in (pi/4, pi/2)
+    assert result[2] == 0  # phi=pi/4, in [0, pi/2)

From db322f2c5dff390bf906c6aed6bd885924d778d5 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Mon, 8 Jun 2026 13:22:32 -0500
Subject: [PATCH 2616/2654] Add section in depletion user's guide about
 comparing to other codes (#3955)

---
 docs/source/usersguide/depletion.rst | 39 ++++++++++++++++++++++++
 openmc/model/model.py                | 44 ++++++++++++++--------------
 tests/unit_tests/test_lib.py         |  4 +--
 3 files changed, 63 insertions(+), 24 deletions(-)

diff --git a/docs/source/usersguide/depletion.rst b/docs/source/usersguide/depletion.rst
index 261900ce6..9a22adf01 100644
--- a/docs/source/usersguide/depletion.rst
+++ b/docs/source/usersguide/depletion.rst
@@ -449,3 +449,42 @@ to transfer xenon from one material to another, you'd use::
     ...
 
     integrator.add_transfer_rate(mat1, ['Xe'], 0.1, destination_material=mat2)
+
+Comparing to Other Codes
+========================
+
+Comparing depletion results from OpenMC with those from another code, such as
+MCNP or Serpent, requires more than constructing equivalent transport models.
+At each depletion step, differences in the transport solution, nuclear data,
+reaction rate normalization, and numerical integration can all affect the
+result. Small differences can also accumulate over successive depletion steps.
+
+For a meaningful comparison, align as many of the following inputs and methods
+as possible:
+
+- Geometry and material definitions and associated physical properties such as
+  temperature
+- Neutron cross section library (e.g., ENDF/B-VIII.0)
+- Treatment of thermal scattering and unresolved resonance probability tables
+- Neutron reactions accounted for in the depletion chain
+- Decay data in the depletion chain
+- Isomeric branching ratios for reactions in the depletion chain
+- Fission product yields in the depletion chain
+- Fission product yield interpolation method
+  (``CoupledOperator(fission_yield_mode=...)``)
+- Reaction rate normalization, including fission Q values
+  (``CoupledOperator(fission_q=...)``)
+- Depletion integration method (``PredictorIntegrator``, ``CECMIntegrator``,
+  etc.) and time-step sizes
+
+When comparing to codes that use ACE format cross sections, it is recommended to
+directly convert the ACE files to HDF5 format using functionality from the
+:mod:`openmc.data` module (see :ref:`create_xs_library`). Some of the
+LANL-distributed ACE libraries used with MCNP have also been converted to HDF5
+format and are available for download at https://openmc.org/data.
+
+Even after these choices have been aligned, exact agreement should not be
+expected. Codes may use different approximations or numerical methods that
+cannot be configured identically. When investigating a discrepancy, first
+compare transport results and one-group reaction rates at the initial time, then
+compare changes over subsequent timesteps.
diff --git a/openmc/model/model.py b/openmc/model/model.py
index 11c26d4e7..56c0e7a49 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -265,22 +265,22 @@ class Model:
             denom_tally = openmc.Tally(name='IFP denominator')
             denom_tally.scores = ['ifp-denominator']
             self.tallies.append(denom_tally)
-    
-    # TODO: This should also be incorporated into lower-level calls in 
+
+    # TODO: This should also be incorporated into lower-level calls in
     # settings.py, but it requires information about the tallies currently
     # on the active Model
     def _assign_fw_cadis_tally_IDs(self):
-        # Verify that all tallies assigned as targets on WeightWindowGenerators 
-        # exist within model.tallies. If this is the case, convert the .targets 
+        # Verify that all tallies assigned as targets on WeightWindowGenerators
+        # exist within model.tallies. If this is the case, convert the .targets
         # attribute of each WeightWindowGenerator to a sequence of tally IDs.
         if len(self.settings.weight_window_generators) == 0:
             return
-        
+
         # List of valid tally IDs
         reference_tally_ids = np.asarray([tal.id for tal in self.tallies])
-        
+
         for wwg in self.settings.weight_window_generators:
-            # Only proceeds if the "targets" attribute is an openmc.Tallies, 
+            # Only proceeds if the "targets" attribute is an openmc.Tallies,
             # which means it hasn't been checked against model.tallies.
             if isinstance(wwg.targets, openmc.Tallies):
                 id_vec = []
@@ -291,7 +291,7 @@ class Model:
                         if tal == reference_tal:
                             id_next = reference_tal.id
                             break
-                    
+
                     if id_next == None:
                         raise RuntimeError(
                             f'Local FW-CADIS target tally {tal.id} not found on model.tallies!')
@@ -1750,8 +1750,8 @@ class Model:
     def _auto_generate_mgxs_lib(
         model: openmc.model.model,
         groups: openmc.mgxs.EnergyGroups,
-        correction: str | none,
-        directory: pathlike,
+        correction: str | None,
+        directory: PathLike,
     ) -> openmc.mgxs.Library:
         """
         Automatically generate a multi-group cross section libray from a model
@@ -1958,7 +1958,7 @@ class Model:
 
         # Set materials on the model
         model.materials = [material]
-        if temperature != None:
+        if temperature is not None:
           model.materials[-1].temperature = temperature
 
         # Settings
@@ -1985,7 +1985,7 @@ class Model:
         mgxs_lib = Model._auto_generate_mgxs_lib(
                 model, groups, correction, directory)
 
-        if temperature != None:
+        if temperature is not None:
             return mgxs_lib.get_xsdata(domain=material, xsdata_name=name,
                                        temperature=temperature)
         else:
@@ -2058,12 +2058,12 @@ class Model:
         )
 
         temp_settings = {}
-        if temperature_settings == None:
+        if temperature_settings is None:
             temp_settings = self.settings.temperature
         else:
             temp_settings = temperature_settings
 
-        if temperatures == None:
+        if temperatures is None:
             mgxs_sets = []
             for material in self.materials:
                 xs_data = Model._isothermal_infinite_media_mgxs(
@@ -2236,7 +2236,7 @@ class Model:
         model = openmc.Model()
         model.geometry = stoch_geom
 
-        if temperature != None:
+        if temperature is not None:
             for material in model.geometry.get_all_materials().values():
                 material.temperature = temperature
 
@@ -2260,7 +2260,7 @@ class Model:
                 model, groups, correction, directory)
 
         # Fetch all of the isothermal results.
-        if temperature != None:
+        if temperature is not None:
             return {
                 mat.name : mgxs_lib.get_xsdata(domain=mat, xsdata_name=mat.name,
                                                temperature=temperature)
@@ -2346,12 +2346,12 @@ class Model:
         )
 
         temp_settings = {}
-        if temperature_settings == None:
+        if temperature_settings is None:
             temp_settings = self.settings.temperature
         else:
             temp_settings = temperature_settings
 
-        if temperatures == None:
+        if temperatures is None:
             mgxs_sets = Model._isothermal_stochastic_slab_mgxs(
                 geo,
                 groups,
@@ -2444,7 +2444,7 @@ class Model:
         model = copy.deepcopy(input_model)
         model.tallies = openmc.Tallies()
 
-        if temperature != None:
+        if temperature is not None:
             for material in model.geometry.get_all_materials().values():
                 material.temperature = temperature
 
@@ -2460,7 +2460,7 @@ class Model:
                 model, groups, correction, directory)
 
         # Fetch all of the isothermal results.
-        if temperature != None:
+        if temperature is not None:
             return {
                 mat.name : mgxs_lib.get_xsdata(domain=mat, xsdata_name=mat.name,
                                                temperature=temperature)
@@ -2515,12 +2515,12 @@ class Model:
             entries in openmc.Settings.temperature_settings.
         """
         temp_settings = {}
-        if temperature_settings == None:
+        if temperature_settings is None:
             temp_settings = self.settings.temperature
         else:
             temp_settings = temperature_settings
 
-        if temperatures == None:
+        if temperatures is None:
             mgxs_sets = Model._isothermal_materialwise_mgxs(
                 self,
                 groups,
diff --git a/tests/unit_tests/test_lib.py b/tests/unit_tests/test_lib.py
index 51e648dcf..6926bc11b 100644
--- a/tests/unit_tests/test_lib.py
+++ b/tests/unit_tests/test_lib.py
@@ -251,9 +251,9 @@ def test_material(lib_init):
     m.name = "Not hot borated water"
     assert m.name == "Not hot borated water"
 
-    assert m.depletable == False
+    assert not m.depletable
     m.depletable = True
-    assert m.depletable == True
+    assert m.depletable
 
 
 def test_properties_density(lib_init):

From 4f6a25e00aea8fe66e55bd182932193bf83061de Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Mon, 8 Jun 2026 16:08:08 -0500
Subject: [PATCH 2617/2654] Introduce new C API function for slice plots
 (#3806)

---
 include/openmc/capi.h               |   5 +
 include/openmc/plot.h               | 114 +++++----
 openmc/lib/plot.py                  | 358 ++++++++++++++--------------
 openmc/model/model.py               | 155 ++++++++++--
 src/plot.cpp                        | 202 +++++++++++++++-
 tests/unit_tests/test_lib.py        |  36 ++-
 tests/unit_tests/test_slice_data.py | 168 +++++++++++++
 7 files changed, 755 insertions(+), 283 deletions(-)
 create mode 100644 tests/unit_tests/test_slice_data.py

diff --git a/include/openmc/capi.h b/include/openmc/capi.h
index 911654d31..6b78145a4 100644
--- a/include/openmc/capi.h
+++ b/include/openmc/capi.h
@@ -123,8 +123,13 @@ int openmc_new_filter(const char* type, int32_t* index);
 int openmc_next_batch(int* status);
 int openmc_nuclide_name(int index, const char** name);
 int openmc_plot_geometry();
+// Deprecated; use openmc_slice_data.
 int openmc_id_map(const void* slice, int32_t* data_out);
+// Deprecated; use openmc_slice_data.
 int openmc_property_map(const void* slice, double* data_out);
+int openmc_slice_data(const double origin[3], const double u_span[3],
+  const double v_span[3], const size_t pixels[2], bool show_overlaps, int level,
+  int32_t filter_index, int32_t* geom_data, double* property_data);
 int openmc_get_plot_index(int32_t id, int32_t* index);
 int openmc_plot_get_id(int32_t index, int32_t* id);
 int openmc_plot_set_id(int32_t index, int32_t id);
diff --git a/include/openmc/plot.h b/include/openmc/plot.h
index 6c00fc2f6..f97d31384 100644
--- a/include/openmc/plot.h
+++ b/include/openmc/plot.h
@@ -18,6 +18,8 @@
 #include "openmc/position.h"
 #include "openmc/random_lcg.h"
 #include "openmc/ray.h"
+#include "openmc/tallies/filter.h"
+#include "openmc/tallies/filter_match.h"
 #include "openmc/xml_interface.h"
 
 namespace openmc {
@@ -148,10 +150,11 @@ public:
 
 struct IdData {
   // Constructor
-  IdData(size_t h_res, size_t v_res);
+  IdData(size_t h_res, size_t v_res, bool include_filter = false);
 
   // Methods
-  void set_value(size_t y, size_t x, const GeometryState& p, int level);
+  void set_value(size_t y, size_t x, const Particle& p, int level,
+    Filter* filter = nullptr, FilterMatch* match = nullptr);
   void set_overlap(size_t y, size_t x);
 
   // Members
@@ -160,16 +163,34 @@ struct IdData {
 
 struct PropertyData {
   // Constructor
-  PropertyData(size_t h_res, size_t v_res);
+  PropertyData(size_t h_res, size_t v_res, bool include_filter = false);
 
   // Methods
-  void set_value(size_t y, size_t x, const GeometryState& p, int level);
+  void set_value(size_t y, size_t x, const Particle& p, int level,
+    Filter* filter = nullptr, FilterMatch* match = nullptr);
   void set_overlap(size_t y, size_t x);
 
   // Members
   tensor::Tensor<double> data_; //!< 2D array of temperature & density data
 };
 
+struct RasterData {
+  // Constructor
+  RasterData(size_t h_res, size_t v_res, bool include_filter = false);
+
+  // Methods
+  void set_value(size_t y, size_t x, const Particle& p, int level,
+    Filter* filter = nullptr, FilterMatch* match = nullptr);
+  void set_overlap(size_t y, size_t x);
+
+  // Members
+  tensor::Tensor<int32_t>
+    id_data_; //!< [v_res, h_res, 3 or 4]: cell, instance, mat, [filter_bin]
+  tensor::Tensor<double>
+    property_data_;     //!< [v_res, h_res, 2]: temperature, density
+  bool include_filter_; //!< Whether filter bin index is included
+};
+
 //===============================================================================
 // Plot class
 //===============================================================================
@@ -177,7 +198,7 @@ struct PropertyData {
 class SlicePlotBase {
 public:
   template<class T>
-  T get_map() const;
+  T get_map(int32_t filter_index = -1) const;
 
   enum class PlotBasis { xy = 1, xz = 2, yz = 3 };
 
@@ -188,70 +209,65 @@ public:
 
   // Members
 public:
-  Position origin_;           //!< Plot origin in geometry
-  Position width_;            //!< Plot width in geometry
-  PlotBasis basis_;           //!< Plot basis (XY/XZ/YZ)
-  array<size_t, 3> pixels_;   //!< Plot size in pixels
-  bool slice_color_overlaps_; //!< Show overlapping cells?
-  int slice_level_ {-1};      //!< Plot universe level
+  Position origin_;         //!< Plot origin in geometry
+  Direction u_span_;        //!< Full-width span vector in geometry
+  Direction v_span_;        //!< Full-height span vector in geometry
+  array<size_t, 3> pixels_; //!< Plot size in pixels
+  bool show_overlaps_;      //!< Show overlapping cells?
+  int slice_level_ {-1};    //!< Plot universe level
 private:
 };
 
 template<class T>
-T SlicePlotBase::get_map() const
+T SlicePlotBase::get_map(int32_t filter_index) const
 {
 
   size_t width = pixels_[0];
   size_t height = pixels_[1];
 
-  // get pixel size
-  double in_pixel = (width_[0]) / static_cast<double>(width);
-  double out_pixel = (width_[1]) / static_cast<double>(height);
-
-  // size data array
-  T data(width, height);
-
-  // setup basis indices and initial position centered on pixel
-  int in_i, out_i;
-  Position xyz = origin_;
-  switch (basis_) {
-  case PlotBasis::xy:
-    in_i = 0;
-    out_i = 1;
-    break;
-  case PlotBasis::xz:
-    in_i = 0;
-    out_i = 2;
-    break;
-  case PlotBasis::yz:
-    in_i = 1;
-    out_i = 2;
-    break;
-  default:
-    UNREACHABLE();
+  // Determine if filter is being used
+  bool include_filter = (filter_index >= 0);
+  Filter* filter = nullptr;
+  if (include_filter) {
+    filter = model::tally_filters[filter_index].get();
   }
 
-  // set initial position
-  xyz[in_i] = origin_[in_i] - width_[0] / 2. + in_pixel / 2.;
-  xyz[out_i] = origin_[out_i] + width_[1] / 2. - out_pixel / 2.;
+  // size data array
+  T data(width, height, include_filter);
 
-  // arbitrary direction
-  Direction dir = {1. / std::sqrt(2.), 1. / std::sqrt(2.), 0.0};
+  // compute pixel steps and top-left pixel center
+  Direction u_step = u_span_ / static_cast<double>(width);
+  Direction v_step = v_span_ / static_cast<double>(height);
+
+  Position start =
+    origin_ - 0.5 * u_span_ + 0.5 * v_span_ + 0.5 * u_step - 0.5 * v_step;
+
+  // Validate that span vectors define a valid plane
+  Position cross = u_span_.cross(v_span_);
+  if (cross.norm() == 0.0) {
+    fatal_error("Slice span vectors are invalid (zero area).");
+  }
+
+  // Use an arbitrary direction that is not aligned with any coordinate axis.
+  // The direction has no physical meaning for plotting but is used by
+  // Surface::sense() to break ties when a pixel is coincident with a surface.
+  Direction dir = {1.0 / std::sqrt(2.0), 1.0 / std::sqrt(2.0), 0.0};
 
 #pragma omp parallel
   {
-    GeometryState p;
-    p.r() = xyz;
+    Particle p;
+    p.r() = start;
     p.u() = dir;
     p.coord(0).universe() = model::root_universe;
     int level = slice_level_;
     int j {};
+    FilterMatch match;
 
 #pragma omp for
     for (int y = 0; y < height; y++) {
-      p.r()[out_i] = xyz[out_i] - out_pixel * y;
+      Position row = start - v_step * static_cast<double>(y);
       for (int x = 0; x < width; x++) {
-        p.r()[in_i] = xyz[in_i] + in_pixel * x;
+        p.r() = row + u_step * static_cast<double>(x);
         p.n_coord() = 1;
         // local variables
         bool found_cell = exhaustive_find_cell(p);
@@ -260,9 +276,9 @@ T SlicePlotBase::get_map() const
           j = level;
         }
         if (found_cell) {
-          data.set_value(y, x, p, j);
+          data.set_value(y, x, p, j, filter, &match);
         }
-        if (slice_color_overlaps_ && check_cell_overlap(p, false)) {
+        if (show_overlaps_ && check_cell_overlap(p, false)) {
           data.set_overlap(y, x);
         }
       } // inner for
@@ -297,6 +313,8 @@ public:
   void print_info() const override;
 
   PlotType type_;                 //!< Plot type (Slice/Voxel)
+  Position width_;                //!< Axis-aligned width from plot.xml
+  PlotBasis basis_;               //!< Basis from plot.xml for slice plots
   int meshlines_width_;           //!< Width of lines added to the plot
   int index_meshlines_mesh_ {-1}; //!< Index of the mesh to draw on the plot
   RGBColor meshlines_color_;      //!< Color of meshlines on the plot
diff --git a/openmc/lib/plot.py b/openmc/lib/plot.py
index 90af80d5b..44d6ac273 100644
--- a/openmc/lib/plot.py
+++ b/openmc/lib/plot.py
@@ -9,6 +9,7 @@ from .core import _FortranObjectWithID
 from .error import _error_handler
 
 import numpy as np
+import warnings
 
 
 class _Position(Structure):
@@ -51,218 +52,209 @@ class _Position(Structure):
         return f"({self.x}, {self.y}, {self.z})"
 
 
-class _PlotBase(Structure):
-    """A structure defining a 2-D geometry slice with underlying c-types
+def _extract_slice_data_args(plot):
+    """Convert a legacy plot-like object into slice_data keyword arguments."""
+    try:
+        kwargs = {
+            'origin': tuple(plot.origin),
+            'width': (plot.width, plot.height),
+            'basis': plot.basis,
+            'pixels': (plot.h_res, plot.v_res),
+            'show_overlaps': getattr(plot, 'color_overlaps', False),
+            'level': getattr(plot, 'level', -1),
+        }
+    except AttributeError as exc:
+        raise TypeError(
+            "plot must be a legacy plot-like object with origin, width, "
+            "height, basis, h_res, and v_res attributes."
+        ) from exc
+    return kwargs
 
-    C-Type Attributes
-    -----------------
-    origin_ : openmc.lib.plot._Position
-        A position defining the origin of the plot.
-    width_ : openmc.lib.plot._Position
-        The width of the plot along the x, y, and z axes, respectively
-    basis_ : c_int
-        The axes basis of the plot view.
-    pixels_ : c_size_t[3]
-        The resolution of the plot in the horizontal and vertical dimensions
-    color_overlaps_ : c_bool
-        Whether to assign unique IDs (-3) to overlapping regions.
-    level_ : c_int
-        The universe level for the plot view
 
-    Attributes
+_dll.openmc_slice_data.argtypes = [
+    POINTER(c_double * 3),   # origin
+    POINTER(c_double * 3),   # u_span
+    POINTER(c_double * 3),   # v_span
+    POINTER(c_size_t * 2),   # pixels
+    c_bool,                  # show_overlaps
+    c_int,                   # level
+    c_int32,                 # filter_index
+    POINTER(c_int32),        # geom_data
+    POINTER(c_double),       # property_data (can be None)
+]
+_dll.openmc_slice_data.restype = c_int
+_dll.openmc_slice_data.errcheck = _error_handler
+
+
+def slice_data(origin, width=None, basis='xy', u_span=None, v_span=None,
+                pixels=None, show_overlaps=False, level=-1, filter=None,
+                include_properties=True):
+    """Generate a 2D raster of geometry and property data for plotting.
+
+    Parameters
     ----------
-    origin : tuple or list of ndarray
-        Origin (center) of the plot
-    width : float
-        The horizontal dimension of the plot in geometry units (cm)
-    height : float
-        The vertical dimension of the plot in geometry units (cm)
-    basis : string
-        One of {'xy', 'xz', 'yz'} indicating the horizontal and vertical
-        axes of the plot.
-    h_res : int
-        The horizontal resolution of the plot in pixels
-    v_res : int
-        The vertical resolution of the plot in pixels
-    level : int
-        The universe level for the plot (default: -1 -> all universes shown)
+    origin : sequence of float
+        Center position of the plot [x, y, z]
+    width : sequence of float
+        Width of the plot [horizontal, vertical]. Mutually exclusive with
+        u_span/v_span.
+    basis : {'xy', 'xz', 'yz'} or int
+        Plot basis. Ignored if u_span/v_span are provided.
+    u_span : sequence of float, optional
+        Full-width span vector for the horizontal axis (3 values). Mutually
+        exclusive with width.
+    v_span : sequence of float, optional
+        Full-height span vector for the vertical axis (3 values). Mutually
+        exclusive with width.
+    pixels : sequence of int
+        Number of pixels [horizontal, vertical]
+    show_overlaps : bool, optional
+        Whether to detect overlapping cells
+    level : int, optional
+        Universe level (-1 for deepest)
+    filter : openmc.lib.Filter, optional
+        Filter for bin index lookup
+    include_properties : bool, optional
+        Whether to compute temperature/density
+
+    Returns
+    -------
+    geom_data : numpy.ndarray
+        Array of shape (v_res, h_res, 3) or (v_res, h_res, 4) with int32 dtype.
+        Contains [cell_id, cell_instance, material_id] when no filter is provided,
+        or [cell_id, cell_instance, material_id, filter_bin] when a filter is provided.
+    property_data : numpy.ndarray or None
+        Array of shape (v_res, h_res, 2) with float64 dtype containing
+        [temperature, density], or None if include_properties=False
     """
-    _fields_ = [('origin_', _Position),
-                ('width_', _Position),
-                ('basis_', c_int),
-                ('pixels_', 3*c_size_t),
-                ('color_overlaps_', c_bool),
-                ('level_', c_int)]
+    if pixels is None:
+        raise ValueError("pixels must be specified.")
+    if len(pixels) != 2:
+        raise ValueError("pixels must be a length-2 sequence.")
 
-    def __init__(self):
-        self.level_ = -1
-        self.basis_ = 1
-        self.color_overlaps_ = False
+    if width is not None and (u_span is not None or v_span is not None):
+        raise ValueError("width is mutually exclusive with u_span/v_span.")
 
-    @property
-    def origin(self):
-        return self.origin_
-
-    @origin.setter
-    def origin(self, origin):
-        self.origin_.x = origin[0]
-        self.origin_.y = origin[1]
-        self.origin_.z = origin[2]
-
-    @property
-    def width(self):
-        return self.width_.x
-
-    @width.setter
-    def width(self, width):
-        self.width_.x = width
-
-    @property
-    def height(self):
-        return self.width_.y
-
-    @height.setter
-    def height(self, height):
-        self.width_.y = height
-
-    @property
-    def basis(self):
-        if self.basis_ == 1:
-            return 'xy'
-        elif self.basis_ == 2:
-            return 'xz'
-        elif self.basis_ == 3:
-            return 'yz'
-
-        raise ValueError(f"Plot basis {self.basis_} is invalid")
-
-    @basis.setter
-    def basis(self, basis):
+    if u_span is not None or v_span is not None:
+        if u_span is None or v_span is None:
+            raise ValueError("Both u_span and v_span must be provided.")
+        u_span = np.asarray(u_span, dtype=float)
+        v_span = np.asarray(v_span, dtype=float)
+        if u_span.shape != (3,) or v_span.shape != (3,):
+            raise ValueError("u_span and v_span must be length-3 sequences.")
+        u_norm = np.linalg.norm(u_span)
+        v_norm = np.linalg.norm(v_span)
+        if u_norm == 0.0 or v_norm == 0.0:
+            raise ValueError("u_span and v_span must be non-zero vectors.")
+        dot = float(np.dot(u_span, v_span))
+        ortho_tol = 1.0e-10 * u_norm * v_norm
+        if abs(dot) > ortho_tol:
+            raise ValueError("u_span and v_span must be orthogonal.")
+    else:
+        if width is None:
+            raise ValueError("width must be provided when u_span/v_span are not set.")
+        if len(width) != 2:
+            raise ValueError("width must be a length-2 sequence.")
+        basis_map = {'xy': 1, 'xz': 2, 'yz': 3}
         if isinstance(basis, str):
-            valid_bases = ('xy', 'xz', 'yz')
             basis = basis.lower()
-            if basis not in valid_bases:
+            if basis not in basis_map:
                 raise ValueError(f"{basis} is not a valid plot basis.")
-
-            if basis == 'xy':
-                self.basis_ = 1
-            elif basis == 'xz':
-                self.basis_ = 2
-            elif basis == 'yz':
-                self.basis_ = 3
-            return
-
-        if isinstance(basis, int):
-            valid_bases = (1, 2, 3)
-            if basis not in valid_bases:
+            basis = basis_map[basis]
+        elif isinstance(basis, int):
+            if basis not in basis_map.values():
                 raise ValueError(f"{basis} is not a valid plot basis.")
-            self.basis_ = basis
-            return
+        else:
+            raise ValueError(f"{basis} is not a valid plot basis.")
 
-        raise ValueError(f"{basis} of type {type(basis)} is an invalid plot basis")
+        if basis == 1:
+            u_span = np.array([width[0], 0.0, 0.0], dtype=float)
+            v_span = np.array([0.0, width[1], 0.0], dtype=float)
+        elif basis == 2:
+            u_span = np.array([width[0], 0.0, 0.0], dtype=float)
+            v_span = np.array([0.0, 0.0, width[1]], dtype=float)
+        else:
+            u_span = np.array([0.0, width[0], 0.0], dtype=float)
+            v_span = np.array([0.0, 0.0, width[1]], dtype=float)
 
-    @property
-    def h_res(self):
-        return self.pixels_[0]
+    origin = np.asarray(origin, dtype=float)
+    if origin.shape != (3,):
+        raise ValueError("origin must be a length-3 sequence.")
 
-    @h_res.setter
-    def h_res(self, h_res):
-        self.pixels_[0] = h_res
+    # Prepare ctypes arrays
+    origin_arr = (c_double * 3)(*origin)
+    u_span_arr = (c_double * 3)(*u_span)
+    v_span_arr = (c_double * 3)(*v_span)
+    pixels_arr = (c_size_t * 2)(*pixels)
 
-    @property
-    def v_res(self):
-        return self.pixels_[1]
+    # Get internal filter index from filter ID if filter is provided
+    if filter is not None:
+        filter_index = c_int32()
+        _dll.openmc_get_filter_index(filter.id, filter_index)
+        filter_index = filter_index.value
+    else:
+        filter_index = -1
 
-    @v_res.setter
-    def v_res(self, v_res):
-        self.pixels_[1] = v_res
+    # Allocate output arrays with dynamic size based on filter
+    n_geom_fields = 4 if filter is not None else 3
+    geom_data = np.zeros((pixels[1], pixels[0], n_geom_fields), dtype=np.int32)
+    if include_properties:
+        property_data = np.zeros((pixels[1], pixels[0], 2), dtype=np.float64)
+        prop_ptr = property_data.ctypes.data_as(POINTER(c_double))
+    else:
+        property_data = None
+        prop_ptr = None
 
-    @property
-    def level(self):
-        return int(self.level_)
+    _dll.openmc_slice_data(
+        origin_arr,
+        u_span_arr,
+        v_span_arr,
+        pixels_arr,
+        show_overlaps,
+        level,
+        filter_index,
+        geom_data.ctypes.data_as(POINTER(c_int32)),
+        prop_ptr
+    )
 
-    @level.setter
-    def level(self, level):
-        self.level_ = level
-
-    @property
-    def color_overlaps(self):
-        return self.color_overlaps_
-
-    @color_overlaps.setter
-    def color_overlaps(self, color_overlaps):
-        self.color_overlaps_ = color_overlaps
-
-    def __repr__(self):
-        out_str = ["-----",
-                   "Plot:",
-                   "-----",
-                   f"Origin: {self.origin}",
-                   f"Width: {self.width}",
-                   f"Height: {self.height}",
-                   f"Basis: {self.basis}",
-                   f"HRes: {self.h_res}",
-                   f"VRes: {self.v_res}",
-                   f"Color Overlaps: {self.color_overlaps}",
-                   f"Level: {self.level}"]
-        return '\n'.join(out_str)
-
-
-_dll.openmc_id_map.argtypes = [POINTER(_PlotBase), POINTER(c_int32)]
-_dll.openmc_id_map.restype = c_int
-_dll.openmc_id_map.errcheck = _error_handler
+    return geom_data, property_data
 
 
 def id_map(plot):
+    """Deprecated compatibility wrapper for geometry ID maps.
+
+    This function is kept for compatibility and will be removed in a future
+    release. Use `slice_data(..., include_properties=False)` instead.
     """
-    Generate a 2-D map of cell and material IDs. Used for in-memory image
-    generation.
+    warnings.warn(
+        "openmc.lib.id_map is deprecated and will be removed in a future "
+        "release; use openmc.lib.slice_data(..., include_properties=False).",
+        FutureWarning,
+    )
 
-    Parameters
-    ----------
-    plot : openmc.lib.plot._PlotBase
-        Object describing the slice of the model to be generated
-
-    Returns
-    -------
-    id_map : numpy.ndarray
-        A NumPy array with shape (vertical pixels, horizontal pixels, 3) of
-        OpenMC property ids with dtype int32. The last dimension of the array
-        contains, in order, cell IDs, cell instances, and material IDs.
-
-    """
-    img_data = np.zeros((plot.v_res, plot.h_res, 3),
-                        dtype=np.dtype('int32'))
-    _dll.openmc_id_map(plot, img_data.ctypes.data_as(POINTER(c_int32)))
-    return img_data
-
-
-_dll.openmc_property_map.argtypes = [POINTER(_PlotBase), POINTER(c_double)]
-_dll.openmc_property_map.restype = c_int
-_dll.openmc_property_map.errcheck = _error_handler
+    kwargs = _extract_slice_data_args(plot)
+    geom_data, _ = slice_data(include_properties=False, **kwargs)
+    return geom_data[:, :, :3]
 
 
 def property_map(plot):
+    """Deprecated compatibility wrapper for temperature/density maps.
+
+    This function is kept for compatibility and will be removed in a future
+    release. Use `slice_data(..., include_properties=True)` instead.
     """
-    Generate a 2-D map of cell temperatures and material densities. Used for
-    in-memory image generation.
+    warnings.warn(
+        "openmc.lib.property_map is deprecated and will be removed in a "
+        "future release; use openmc.lib.slice_data(..., "
+        "include_properties=True).",
+        FutureWarning,
+    )
 
-    Parameters
-    ----------
-    plot : openmc.lib.plot._PlotBase
-        Object describing the slice of the model to be generated
-
-    Returns
-    -------
-    property_map : numpy.ndarray
-        A NumPy array with shape (vertical pixels, horizontal pixels, 2) of
-        OpenMC property ids with dtype float
-
-    """
-    prop_data = np.zeros((plot.v_res, plot.h_res, 2))
-    _dll.openmc_property_map(plot, prop_data.ctypes.data_as(POINTER(c_double)))
+    kwargs = _extract_slice_data_args(plot)
+    _, prop_data = slice_data(include_properties=True, **kwargs)
     return prop_data
 
+
 _dll.openmc_get_plot_index.argtypes = [c_int32, POINTER(c_int32)]
 _dll.openmc_get_plot_index.restype = c_int
 _dll.openmc_get_plot_index.errcheck = _error_handler
diff --git a/openmc/model/model.py b/openmc/model/model.py
index 56c0e7a49..d927b65ae 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -292,7 +292,7 @@ class Model:
                             id_next = reference_tal.id
                             break
 
-                    if id_next == None:
+                    if id_next is None:
                         raise RuntimeError(
                             f'Local FW-CADIS target tally {tal.id} not found on model.tallies!')
                     else:
@@ -1127,28 +1127,148 @@ class Model:
             array contains cell IDs, cell instances, and material IDs (in that
             order).
         """
+        ids, _ = self.slice_data(
+            origin=origin,
+            width=width,
+            pixels=pixels,
+            basis=basis,
+            show_overlaps=color_overlaps,
+            level=-1,
+            include_properties=False,
+            **init_kwargs,
+        )
+        return ids
+
+    def slice_data(
+        self,
+        origin: Sequence[float] | None = None,
+        width: Sequence[float] | None = None,
+        pixels: int | Sequence[int] = 40000,
+        basis: str = 'xy',
+        u_span: Sequence[float] | None = None,
+        v_span: Sequence[float] | None = None,
+        show_overlaps: bool = False,
+        level: int = -1,
+        filter: openmc.Filter | None = None,
+        include_properties: bool = True,
+        **init_kwargs
+    ) -> tuple[np.ndarray, np.ndarray | None]:
+        """Generate geometry and property data for a 2D plot slice.
+
+        This method combines the functionality of :meth:`id_map` and property
+        mapping into a single call, avoiding duplicate geometry lookups. It also
+        supports filter bin index lookup for tally visualization.
+
+        .. versionadded:: 0.16.0
+
+        Parameters
+        ----------
+        origin : Sequence[float], optional
+            Origin of the plot. If unspecified, this argument defaults to the
+            center of the bounding box if the bounding box does not contain inf
+            values for the provided basis, otherwise (0.0, 0.0, 0.0).
+        width : Sequence[float], optional
+            Width of the plot. If unspecified, this argument defaults to the
+            width of the bounding box if the bounding box does not contain inf
+            values for the provided basis, otherwise (10.0, 10.0).
+        pixels : int | Sequence[int], optional
+            If an iterable of ints is provided then this directly sets the
+            number of pixels to use in each basis direction. If a single int is
+            provided then this sets the total number of pixels in the plot and
+            the number of pixels in each basis direction is calculated from this
+            total and the image aspect ratio based on the width argument.
+        basis : {'xy', 'yz', 'xz'}, optional
+            Basis of the plot.
+        u_span : Sequence[float], optional
+            Full-width span vector for an oriented slice (3 values). Mutually
+            exclusive with width.
+        v_span : Sequence[float], optional
+            Full-height span vector for an oriented slice (3 values). Mutually
+            exclusive with width.
+        show_overlaps : bool, optional
+            Whether to identify and assign unique IDs (-3) to overlapping
+            regions. If False, overlapping regions will be assigned the ID of
+            the lowest-numbered cell that occupies that region. Defaults to
+            False.
+        level : int, optional
+            Universe level to plot (-1 for deepest). Defaults to -1.
+        filter : openmc.Filter, optional
+            If provided, the information for each pixel also includes an index
+            in the filter corresponding to the pixel position.
+        include_properties : bool, optional
+            Whether to include temperature/density data. Defaults to True.
+        **init_kwargs
+            Keyword arguments passed to :meth:`Model.init_lib`.
+
+        Returns
+        -------
+        geom_data : numpy.ndarray
+            Shape (v_res, h_res, 3) or (v_res, h_res, 4) int32 array. Contains
+            [cell_id, cell_instance, material_id] when no filter, or [cell_id,
+            cell_instance, material_id, filter_bin] with filter.
+        property_data : numpy.ndarray or None
+            Shape (v_res, h_res, 2) float64 array with [temperature, density],
+            or None if include_properties=False.
+        """
         import openmc.lib
 
-        origin, width, pixels = self._set_plot_defaults(
-            origin, width, pixels, basis)
+        if width is not None and (u_span is not None or v_span is not None):
+            raise ValueError("width is mutually exclusive with u_span/v_span.")
 
-        # initialize the openmc.lib.plot._PlotBase object
-        plot_obj = openmc.lib.plot._PlotBase()
-        plot_obj.origin = origin
-        plot_obj.width = width[0]
-        plot_obj.height = width[1]
-        plot_obj.h_res = pixels[0]
-        plot_obj.v_res = pixels[1]
-        plot_obj.basis = basis
-        plot_obj.color_overlaps = color_overlaps
+        if u_span is not None or v_span is not None:
+            if u_span is None or v_span is None:
+                raise ValueError("Both u_span and v_span must be provided.")
+            if origin is None:
+                origin = (0.0, 0.0, 0.0)
+            if isinstance(pixels, int):
+                u_norm = np.linalg.norm(u_span)
+                v_norm = np.linalg.norm(v_span)
+                aspect_ratio = u_norm / v_norm
+                pixels_y = math.sqrt(pixels / aspect_ratio)
+                pixels = (int(pixels / pixels_y), int(pixels_y))
+        else:
+            origin, width, pixels = self._set_plot_defaults(
+                origin, width, pixels, basis)
 
         # Silence output by default. Also set arguments to start in volume
         # calculation mode to avoid loading cross sections
         init_kwargs.setdefault('output', False)
         init_kwargs.setdefault('args', ['-c'])
 
+        # If filter does not already appear in the model, temporarily add a
+        # tally with the filter
+        original_length = len(self.tallies)
+        if filter is not None:
+            filter_ids = {f.id for t in self.tallies for f in t.filters}
+            if filter.id not in filter_ids:
+                # Create temporary tally while preserving ID assignment
+                next_id = openmc.Tally.next_id
+                temp_tally = openmc.Tally()
+                temp_tally.filters = [filter]
+                temp_tally.scores = ['flux']
+                self.tallies.append(temp_tally)
+                openmc.Tally.used_ids.remove(temp_tally.id)
+                openmc.Tally.next_id = next_id
+
         with openmc.lib.TemporarySession(self, **init_kwargs):
-            return openmc.lib.id_map(plot_obj)
+            geom_data, property_data = openmc.lib.slice_data(
+                origin=origin,
+                width=width,
+                basis=basis,
+                u_span=u_span,
+                v_span=v_span,
+                pixels=pixels,
+                show_overlaps=show_overlaps,
+                level=level,
+                filter=filter,
+                include_properties=include_properties,
+            )
+
+        # If filter was temporarily added, remove it
+        if len(self.tallies) > original_length:
+            self.tallies.pop()
+
+        return geom_data, property_data
 
     @add_plot_params
     def plot(
@@ -1216,13 +1336,14 @@ class Model:
                                        "openmc.config before plotting.")
                 break
 
-        # Get ID map from the C API
-        id_map = self.id_map(
+        # Get plot IDs from the C API
+        id_map, _ = self.slice_data(
             origin=origin,
             width=width,
             pixels=pixels,
             basis=basis,
-            color_overlaps=show_overlaps
+            show_overlaps=show_overlaps,
+            include_properties=False,
         )
 
         # Generate colors if not provided
@@ -1748,7 +1869,7 @@ class Model:
 
     @staticmethod
     def _auto_generate_mgxs_lib(
-        model: openmc.model.model,
+        model: openmc.model.Model,
         groups: openmc.mgxs.EnergyGroups,
         correction: str | None,
         directory: PathLike,
diff --git a/src/plot.cpp b/src/plot.cpp
index 707d53dc2..b9a1136af 100644
--- a/src/plot.cpp
+++ b/src/plot.cpp
@@ -33,6 +33,7 @@
 #include "openmc/settings.h"
 #include "openmc/simulation.h"
 #include "openmc/string_utils.h"
+#include "openmc/tallies/filter.h"
 
 namespace openmc {
 
@@ -44,10 +45,12 @@ constexpr int PLOT_LEVEL_LOWEST {-1}; //!< lower bound on plot universe level
 constexpr int32_t NOT_FOUND {-2};
 constexpr int32_t OVERLAP {-3};
 
-IdData::IdData(size_t h_res, size_t v_res) : data_({v_res, h_res, 3}, NOT_FOUND)
+IdData::IdData(size_t h_res, size_t v_res, bool /*include_filter*/)
+  : data_({v_res, h_res, 3}, NOT_FOUND)
 {}
 
-void IdData::set_value(size_t y, size_t x, const GeometryState& p, int level)
+void IdData::set_value(size_t y, size_t x, const Particle& p, int level,
+  Filter* /*filter*/, FilterMatch* /*match*/)
 {
   // set cell data
   if (p.n_coord() <= level) {
@@ -64,7 +67,6 @@ void IdData::set_value(size_t y, size_t x, const GeometryState& p, int level)
   Cell* c = model::cells.at(p.lowest_coord().cell()).get();
   if (p.material() == MATERIAL_VOID) {
     data_(y, x, 2) = MATERIAL_VOID;
-    return;
   } else if (c->type_ == Fill::MATERIAL) {
     Material* m = model::materials.at(p.material()).get();
     data_(y, x, 2) = m->id_;
@@ -77,12 +79,12 @@ void IdData::set_overlap(size_t y, size_t x)
     data_(y, x, k) = OVERLAP;
 }
 
-PropertyData::PropertyData(size_t h_res, size_t v_res)
+PropertyData::PropertyData(size_t h_res, size_t v_res, bool /*include_filter*/)
   : data_({v_res, h_res, 2}, NOT_FOUND)
 {}
 
-void PropertyData::set_value(
-  size_t y, size_t x, const GeometryState& p, int level)
+void PropertyData::set_value(size_t y, size_t x, const Particle& p, int level,
+  Filter* /*filter*/, FilterMatch* /*match*/)
 {
   Cell* c = model::cells.at(p.lowest_coord().cell()).get();
   data_(y, x, 0) = (p.sqrtkT() * p.sqrtkT()) / K_BOLTZMANN;
@@ -97,6 +99,74 @@ void PropertyData::set_overlap(size_t y, size_t x)
   data_(y, x) = OVERLAP;
 }
 
+//==============================================================================
+// RasterData implementation
+//==============================================================================
+
+RasterData::RasterData(size_t h_res, size_t v_res, bool include_filter)
+  : id_data_({v_res, h_res, include_filter ? 4u : 3u}, NOT_FOUND),
+    property_data_({v_res, h_res, 2}, static_cast<double>(NOT_FOUND)),
+    include_filter_(include_filter)
+{}
+
+void RasterData::set_value(size_t y, size_t x, const Particle& p, int level,
+  Filter* filter, FilterMatch* match)
+{
+  // set cell data
+  if (p.n_coord() <= level) {
+    id_data_(y, x, 0) = NOT_FOUND;
+    id_data_(y, x, 1) = NOT_FOUND;
+  } else {
+    id_data_(y, x, 0) = model::cells.at(p.coord(level).cell())->id_;
+    id_data_(y, x, 1) = level == p.n_coord() - 1
+                          ? p.cell_instance()
+                          : cell_instance_at_level(p, level);
+  }
+
+  // set material data
+  Cell* c = model::cells.at(p.lowest_coord().cell()).get();
+  if (p.material() == MATERIAL_VOID) {
+    id_data_(y, x, 2) = MATERIAL_VOID;
+  } else if (c->type_ == Fill::MATERIAL) {
+    Material* m = model::materials.at(p.material()).get();
+    id_data_(y, x, 2) = m->id_;
+  }
+
+  // set filter index (only if filter is being used)
+  if (include_filter_ && filter) {
+    filter->get_all_bins(p, TallyEstimator::COLLISION, *match);
+    if (match->bins_.empty()) {
+      id_data_(y, x, 3) = -1;
+    } else {
+      id_data_(y, x, 3) = match->bins_[0];
+    }
+    match->bins_.clear();
+    match->weights_.clear();
+  }
+
+  // set temperature (in K)
+  property_data_(y, x, 0) = (p.sqrtkT() * p.sqrtkT()) / K_BOLTZMANN;
+
+  // set density (g/cm³)
+  if (c->type_ != Fill::UNIVERSE && p.material() != MATERIAL_VOID) {
+    Material* m = model::materials.at(p.material()).get();
+    property_data_(y, x, 1) = m->density_gpcc_;
+  }
+}
+
+void RasterData::set_overlap(size_t y, size_t x)
+{
+  // Set cell, instance, and material to OVERLAP, but preserve filter bin
+  id_data_(y, x, 0) = OVERLAP;
+  id_data_(y, x, 1) = OVERLAP;
+  id_data_(y, x, 2) = OVERLAP;
+  // Note: id_data_(y, x, 3) is NOT overwritten - preserves filter bin for tally
+  // plotting
+
+  property_data_(y, x, 0) = OVERLAP;
+  property_data_(y, x, 1) = OVERLAP;
+}
+
 //==============================================================================
 // Global variables
 //==============================================================================
@@ -450,6 +520,22 @@ void Plot::set_width(pugi::xml_node plot_node)
     if (pl_width.size() == 2) {
       width_.x = pl_width[0];
       width_.y = pl_width[1];
+      switch (basis_) {
+      case PlotBasis::xy:
+        u_span_ = {width_.x, 0.0, 0.0};
+        v_span_ = {0.0, width_.y, 0.0};
+        break;
+      case PlotBasis::xz:
+        u_span_ = {width_.x, 0.0, 0.0};
+        v_span_ = {0.0, 0.0, width_.y};
+        break;
+      case PlotBasis::yz:
+        u_span_ = {0.0, width_.x, 0.0};
+        v_span_ = {0.0, 0.0, width_.y};
+        break;
+      default:
+        UNREACHABLE();
+      }
     } else {
       fatal_error(
         fmt::format("<width> must be length 2 in slice plot {}", id()));
@@ -765,7 +851,7 @@ Plot::Plot(pugi::xml_node plot_node, PlotType type)
   set_width(plot_node);
   set_meshlines(plot_node);
   slice_level_ = level_; // Copy level employed in SlicePlotBase::get_map
-  slice_color_overlaps_ = color_overlaps_;
+  show_overlaps_ = color_overlaps_;
 }
 
 //==============================================================================
@@ -862,23 +948,39 @@ void Plot::draw_mesh_lines(ImageData& data) const
   rgb = meshlines_color_;
 
   int ax1, ax2;
+  Position expected_u {};
+  Position expected_v {};
   switch (basis_) {
   case PlotBasis::xy:
     ax1 = 0;
     ax2 = 1;
+    expected_u = {width_[0], 0.0, 0.0};
+    expected_v = {0.0, width_[1], 0.0};
     break;
   case PlotBasis::xz:
     ax1 = 0;
     ax2 = 2;
+    expected_u = {width_[0], 0.0, 0.0};
+    expected_v = {0.0, 0.0, width_[1]};
     break;
   case PlotBasis::yz:
     ax1 = 1;
     ax2 = 2;
+    expected_u = {0.0, width_[0], 0.0};
+    expected_v = {0.0, 0.0, width_[1]};
     break;
   default:
     UNREACHABLE();
   }
 
+  // Meshlines rely on axis-aligned indexing in global coordinates.
+  constexpr double rel_tol {1e-12};
+  double span_tol = rel_tol * (1.0 + u_span_.norm() + v_span_.norm());
+  if ((u_span_ - expected_u).norm() > span_tol ||
+      (v_span_ - expected_v).norm() > span_tol) {
+    fatal_error("Meshlines are only supported for axis-aligned slice plots.");
+  }
+
   Position ll_plot {origin_};
   Position ur_plot {origin_};
 
@@ -1008,11 +1110,11 @@ void Plot::create_voxel() const
   voxel_init(file_id, &(dims[0]), &dspace, &dset, &memspace);
 
   SlicePlotBase pltbase;
-  pltbase.width_ = width_;
   pltbase.origin_ = origin_;
-  pltbase.basis_ = PlotBasis::xy;
+  pltbase.u_span_ = {width_.x, 0.0, 0.0};
+  pltbase.v_span_ = {0.0, width_.y, 0.0};
   pltbase.pixels() = pixels();
-  pltbase.slice_color_overlaps_ = color_overlaps_;
+  pltbase.show_overlaps_ = color_overlaps_;
 
   ProgressBar pb;
   for (int z = 0; z < pixels()[2]; z++) {
@@ -1794,6 +1896,12 @@ void PhongRay::on_intersection()
 
 extern "C" int openmc_id_map(const void* plot, int32_t* data_out)
 {
+  static bool warned {false};
+  if (!warned) {
+    warning("openmc_id_map is deprecated and will be removed in a future "
+            "release. Use openmc_slice_data.");
+    warned = true;
+  }
 
   auto plt = reinterpret_cast<const SlicePlotBase*>(plot);
   if (!plt) {
@@ -1801,7 +1909,7 @@ extern "C" int openmc_id_map(const void* plot, int32_t* data_out)
     return OPENMC_E_INVALID_ARGUMENT;
   }
 
-  if (plt->slice_color_overlaps_ && model::overlap_check_count.size() == 0) {
+  if (plt->show_overlaps_ && model::overlap_check_count.size() == 0) {
     model::overlap_check_count.resize(model::cells.size());
   }
 
@@ -1815,14 +1923,20 @@ extern "C" int openmc_id_map(const void* plot, int32_t* data_out)
 
 extern "C" int openmc_property_map(const void* plot, double* data_out)
 {
+  static bool warned {false};
+  if (!warned) {
+    warning("openmc_property_map is deprecated and will be removed in a future "
+            "release. Use openmc_slice_data.");
+    warned = true;
+  }
 
   auto plt = reinterpret_cast<const SlicePlotBase*>(plot);
   if (!plt) {
-    set_errmsg("Invalid slice pointer passed to openmc_id_map");
+    set_errmsg("Invalid slice pointer passed to openmc_property_map");
     return OPENMC_E_INVALID_ARGUMENT;
   }
 
-  if (plt->slice_color_overlaps_ && model::overlap_check_count.size() == 0) {
+  if (plt->show_overlaps_ && model::overlap_check_count.size() == 0) {
     model::overlap_check_count.resize(model::cells.size());
   }
 
@@ -1834,6 +1948,68 @@ extern "C" int openmc_property_map(const void* plot, double* data_out)
   return 0;
 }
 
+extern "C" int openmc_slice_data(const double origin[3], const double u_span[3],
+  const double v_span[3], const size_t pixels[2], bool color_overlaps,
+  int level, int32_t filter_index, int32_t* geom_data, double* property_data)
+{
+  // Validate span vectors
+  Direction u_span_pos {u_span[0], u_span[1], u_span[2]};
+  Direction v_span_pos {v_span[0], v_span[1], v_span[2]};
+  double u_norm = u_span_pos.norm();
+  double v_norm = v_span_pos.norm();
+  if (u_norm == 0.0 || v_norm == 0.0) {
+    set_errmsg("Slice span vectors must be non-zero.");
+    return OPENMC_E_INVALID_ARGUMENT;
+  }
+
+  constexpr double ORTHO_REL_TOL = 1e-10;
+  double dot = u_span_pos.dot(v_span_pos);
+  if (std::abs(dot) > ORTHO_REL_TOL * u_norm * v_norm) {
+    set_errmsg("Slice span vectors must be orthogonal.");
+    return OPENMC_E_INVALID_ARGUMENT;
+  }
+
+  // Validate filter index if provided
+  if (filter_index >= 0) {
+    if (int err = verify_filter(filter_index))
+      return err;
+  }
+
+  // Initialize overlap check vector if needed
+  if (color_overlaps && model::overlap_check_count.size() == 0) {
+    model::overlap_check_count.resize(model::cells.size());
+  }
+
+  try {
+    // Create a temporary SlicePlotBase object to reuse get_map logic
+    SlicePlotBase plot_params;
+    plot_params.origin_ = Position {origin[0], origin[1], origin[2]};
+    plot_params.u_span_ = u_span_pos;
+    plot_params.v_span_ = v_span_pos;
+    plot_params.pixels_[0] = pixels[0];
+    plot_params.pixels_[1] = pixels[1];
+    plot_params.show_overlaps_ = color_overlaps;
+    plot_params.slice_level_ = level;
+
+    // Use get_map<RasterData> to generate data
+    auto data = plot_params.get_map<RasterData>(filter_index);
+
+    // Copy geometry data
+    std::copy(data.id_data_.begin(), data.id_data_.end(), geom_data);
+
+    // Copy property data if requested
+    if (property_data != nullptr) {
+      std::copy(
+        data.property_data_.begin(), data.property_data_.end(), property_data);
+    }
+  } catch (const std::exception& e) {
+    set_errmsg(e.what());
+    return OPENMC_E_UNASSIGNED;
+  }
+
+  return 0;
+}
+
 extern "C" int openmc_get_plot_index(int32_t id, int32_t* index)
 {
   auto it = model::plot_map.find(id);
diff --git a/tests/unit_tests/test_lib.py b/tests/unit_tests/test_lib.py
index 6926bc11b..f62306e83 100644
--- a/tests/unit_tests/test_lib.py
+++ b/tests/unit_tests/test_lib.py
@@ -895,22 +895,23 @@ def test_load_nuclide(lib_init):
         openmc.lib.load_nuclide('Pu3')
 
 
+class LegacySlicePlot:
+    origin = (0.0, 0.0, 0.0)
+    width = 1.26
+    height = 1.26
+    basis = 'xy'
+    h_res = 3
+    v_res = 3
+    level = -1
+
+
 def test_id_map(lib_init):
     expected_ids = np.array([[(3, 0, 3), (2, 0, 2), (3, 0, 3)],
                              [(2, 0, 2), (1, 0, 1), (2, 0, 2)],
                              [(3, 0, 3), (2, 0, 2), (3, 0, 3)]], dtype='int32')
 
-    # create a plot object
-    s = openmc.lib.plot._PlotBase()
-    s.width = 1.26
-    s.height = 1.26
-    s.v_res = 3
-    s.h_res = 3
-    s.origin = (0.0, 0.0, 0.0)
-    s.basis = 'xy'
-    s.level = -1
-
-    ids = openmc.lib.plot.id_map(s)
+    with pytest.warns(FutureWarning, match="deprecated"):
+        ids = openmc.lib.id_map(LegacySlicePlot())
     assert np.array_equal(expected_ids, ids)
 
 
@@ -920,17 +921,8 @@ def test_property_map(lib_init):
          [ (293.6, 6.55), (293.6, 10.29769),  (293.6, 6.55)],
          [(293.6, 0.740582), (293.6, 6.55), (293.6, 0.740582)]], dtype='float')
 
-    # create a plot object
-    s = openmc.lib.plot._PlotBase()
-    s.width = 1.26
-    s.height = 1.26
-    s.v_res = 3
-    s.h_res = 3
-    s.origin = (0.0, 0.0, 0.0)
-    s.basis = 'xy'
-    s.level = -1
-
-    properties = openmc.lib.plot.property_map(s)
+    with pytest.warns(FutureWarning, match="deprecated"):
+        properties = openmc.lib.property_map(LegacySlicePlot())
     assert np.allclose(expected_properties, properties, atol=1e-04)
 
 
diff --git a/tests/unit_tests/test_slice_data.py b/tests/unit_tests/test_slice_data.py
new file mode 100644
index 000000000..cc5fb0474
--- /dev/null
+++ b/tests/unit_tests/test_slice_data.py
@@ -0,0 +1,168 @@
+import numpy as np
+import openmc
+from openmc.examples import pwr_pin_cell
+
+
+def test_slice_data_basic(run_in_tmpdir):
+    """Test basic slice_data functionality."""
+    model = pwr_pin_cell()
+    geom_data, prop_data = model.slice_data(
+        origin=(0, 0, 0),
+        width=(1.0, 1.0),
+        pixels=(100, 100),
+        basis='xy'
+    )
+
+    # Without filter, should have 3 fields
+    assert geom_data.shape == (100, 100, 3)
+    assert geom_data.dtype == np.int32
+    assert prop_data.shape == (100, 100, 2)
+    assert prop_data.dtype == np.float64
+
+    # Check we have valid geometry
+    assert np.any(geom_data[:, :, 0] >= 0)  # Valid cell IDs
+    assert np.any(prop_data[:, :, 0] > 0)   # Valid temperatures
+
+
+def test_slice_data_no_properties(run_in_tmpdir):
+    """Test slice_data without property data."""
+    model = pwr_pin_cell()
+    geom_data, prop_data = model.slice_data(
+        origin=(0, 0, 0),
+        width=(1.0, 1.0),
+        pixels=(50, 50),
+        include_properties=False
+    )
+
+    # Without filter, should have 3 fields
+    assert geom_data.shape == (50, 50, 3)
+    assert prop_data is None
+
+
+def test_slice_data_with_filter(run_in_tmpdir):
+    """Test slice_data with a cell filter."""
+    model = pwr_pin_cell()
+    cell_ids = [c.id for c in model.geometry.get_all_cells().values()]
+    cell_filter = openmc.CellFilter(cell_ids)
+
+    geom_data, _ = model.slice_data(
+        origin=(0, 0, 0),
+        width=(1.0, 1.0),
+        pixels=(50, 50),
+        filter=cell_filter,
+        include_properties=False
+    )
+
+    # With filter, should have 4 fields
+    assert geom_data.shape == (50, 50, 4)
+
+    # Filter bin index should be populated where cells exist
+    filter_bins = geom_data[:, :, 3]
+    valid_cells = geom_data[:, :, 0] >= 0
+    assert np.any(filter_bins[valid_cells] >= 0)
+
+
+def test_slice_data_overlaps(run_in_tmpdir):
+    """Test slice_data with overlap detection."""
+    model = pwr_pin_cell()
+    geom_data, _ = model.slice_data(
+        origin=(0, 0, 0),
+        width=(1.0, 1.0),
+        pixels=(50, 50),
+        show_overlaps=True,
+        include_properties=False
+    )
+
+    # Without filter, should have 3 fields
+    assert geom_data.shape == (50, 50, 3)
+    # Check for overlap markers (-3) if any exist
+    # Note: This test may pass without finding overlaps if geometry is correct
+
+
+def test_slice_data_overlaps_with_filter(run_in_tmpdir):
+    """Test that overlaps don't overwrite filter bin data."""
+    model = pwr_pin_cell()
+    cell_ids = [c.id for c in model.geometry.get_all_cells().values()]
+    cell_filter = openmc.CellFilter(cell_ids)
+
+    geom_data, _ = model.slice_data(
+        origin=(0, 0, 0),
+        width=(1.0, 1.0),
+        pixels=(50, 50),
+        filter=cell_filter,
+        show_overlaps=True,
+        include_properties=False
+    )
+
+    assert geom_data.shape == (50, 50, 4)
+
+    # If any overlaps exist, verify filter bin is still valid (not -3)
+    overlap_pixels = geom_data[:, :, 0] == -3
+    if np.any(overlap_pixels):
+        # Filter bins at overlap locations should NOT be -3
+        filter_bins_at_overlaps = geom_data[overlap_pixels, 3]
+        assert not np.all(filter_bins_at_overlaps == -3), \
+            "Filter bins should be preserved even where overlaps are detected"
+
+
+def test_slice_data_different_bases(run_in_tmpdir):
+    """Test slice_data with different basis planes."""
+    model = pwr_pin_cell()
+
+    for basis in ['xy', 'xz', 'yz']:
+        geom_data, prop_data = model.slice_data(
+            origin=(0, 0, 0),
+            width=(1.0, 1.0),
+            pixels=(25, 25),
+            basis=basis
+        )
+
+        assert geom_data.shape == (25, 25, 3)
+        assert prop_data.shape == (25, 25, 2)
+
+
+def test_slice_data_oriented_spans(run_in_tmpdir):
+    """Test slice_data with oriented span vectors."""
+    model = pwr_pin_cell()
+
+    geom_data, prop_data = model.slice_data(
+        origin=(0, 0, 0),
+        u_span=(1.0, 0.0, 0.0),
+        v_span=(0.0, 0.0, 1.0),
+        pixels=(25, 25)
+    )
+
+    assert geom_data.shape == (25, 25, 3)
+    assert prop_data.shape == (25, 25, 2)
+
+
+def test_slice_data_level(run_in_tmpdir):
+    """Test slice_data with specific universe level."""
+    model = pwr_pin_cell()
+    geom_data, _ = model.slice_data(
+        origin=(0, 0, 0),
+        width=(1.0, 1.0),
+        pixels=(50, 50),
+        level=0,  # Root universe only
+        include_properties=False
+    )
+
+    assert geom_data.shape == (50, 50, 3)
+
+
+def test_id_map_reverted(run_in_tmpdir):
+    """Test that id_map returns 3D array without filter support."""
+    model = pwr_pin_cell()
+    id_data = model.id_map(
+        origin=(0, 0, 0),
+        width=(1.0, 1.0),
+        pixels=(50, 50),
+        basis='xy'
+    )
+
+    # Should have 3 fields (cell_id, cell_instance, material_id)
+    assert id_data.shape == (50, 50, 3)
+    assert id_data.dtype == np.int32
+
+    # Check valid data
+    assert np.any(id_data[:, :, 0] >= 0)  # Valid cell IDs

From ea6ba328c9960a9e1b1cc85ab3b4f1ddd91ed3a1 Mon Sep 17 00:00:00 2001
From: Patrick Shriwise <pshriwise@gmail.com>
Date: Mon, 8 Jun 2026 18:37:34 -0500
Subject: [PATCH 2618/2654] Fix collision track feature for photon transport
 (#3946)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 docs/source/io_formats/collision_track.rst    |   4 +-
 docs/source/io_formats/settings.rst           |  31 +++---
 docs/source/usersguide/settings.rst           |   5 +
 include/openmc/constants.h                    |   2 +-
 include/openmc/nuclide.h                      |   3 +
 src/collision_track.cpp                       |  12 ++-
 .../case_1_Reactions/collision_track_true.h5  | Bin 0 -> 2960 bytes
 .../case_1_Reactions/inputs_true.dat          |   6 +-
 .../case_1_Reactions/results_true.dat         |   2 -
 .../case_2_Cell_ID/collision_track_true.h5    | Bin 0 -> 9744 bytes
 .../case_2_Cell_ID/inputs_true.dat            |   6 +-
 .../case_2_Cell_ID/results_true.dat           |   2 -
 .../collision_track_true.h5                   | Bin 0 -> 9744 bytes
 .../case_3_Material_ID/inputs_true.dat        |   6 +-
 .../case_3_Material_ID/results_true.dat       |   2 -
 .../case_4_Nuclide_ID/collision_track_true.h5 | Bin 0 -> 9232 bytes
 .../case_4_Nuclide_ID/inputs_true.dat         |   6 +-
 .../case_4_Nuclide_ID/results_true.dat        |   2 -
 .../collision_track_true.h5                   | Bin 0 -> 9744 bytes
 .../case_5_Universe_ID/inputs_true.dat        |   6 +-
 .../case_5_Universe_ID/results_true.dat       |   2 -
 .../collision_track_true.h5                   | Bin 0 -> 6160 bytes
 .../inputs_true.dat                           |   6 +-
 .../results_true.dat                          |   2 -
 .../collision_track_true.h5                   | Bin 0 -> 6032 bytes
 .../inputs_true.dat                           |   6 +-
 .../results_true.dat                          |   2 -
 .../case_8_2threads/inputs_true.dat           |  57 ----------
 .../case_8_2threads/results_true.dat          |   2 -
 .../regression_tests/collision_track/test.py  |  51 ++-------
 tests/testing_harness.py                      |  97 +++++++++++-------
 tests/unit_tests/test_collision_track.py      |  43 +++++++-
 32 files changed, 167 insertions(+), 196 deletions(-)
 create mode 100644 tests/regression_tests/collision_track/case_1_Reactions/collision_track_true.h5
 delete mode 100644 tests/regression_tests/collision_track/case_1_Reactions/results_true.dat
 create mode 100644 tests/regression_tests/collision_track/case_2_Cell_ID/collision_track_true.h5
 delete mode 100644 tests/regression_tests/collision_track/case_2_Cell_ID/results_true.dat
 create mode 100644 tests/regression_tests/collision_track/case_3_Material_ID/collision_track_true.h5
 delete mode 100644 tests/regression_tests/collision_track/case_3_Material_ID/results_true.dat
 create mode 100644 tests/regression_tests/collision_track/case_4_Nuclide_ID/collision_track_true.h5
 delete mode 100644 tests/regression_tests/collision_track/case_4_Nuclide_ID/results_true.dat
 create mode 100644 tests/regression_tests/collision_track/case_5_Universe_ID/collision_track_true.h5
 delete mode 100644 tests/regression_tests/collision_track/case_5_Universe_ID/results_true.dat
 create mode 100644 tests/regression_tests/collision_track/case_6_deposited_energy_threshold/collision_track_true.h5
 delete mode 100644 tests/regression_tests/collision_track/case_6_deposited_energy_threshold/results_true.dat
 create mode 100644 tests/regression_tests/collision_track/case_7_all_parameters_used_together/collision_track_true.h5
 delete mode 100644 tests/regression_tests/collision_track/case_7_all_parameters_used_together/results_true.dat
 delete mode 100644 tests/regression_tests/collision_track/case_8_2threads/inputs_true.dat
 delete mode 100644 tests/regression_tests/collision_track/case_8_2threads/results_true.dat

diff --git a/docs/source/io_formats/collision_track.rst b/docs/source/io_formats/collision_track.rst
index 8e1e00ffb..4123fdac6 100644
--- a/docs/source/io_formats/collision_track.rst
+++ b/docs/source/io_formats/collision_track.rst
@@ -10,7 +10,7 @@ may also be written after each batch when multiple files are requested
 (``collision_track.N.h5``) or when the run is performed in parallel. The file
 contains the information needed to reconstruct each recorded collision.
 
-The current revision of the collision track file format is 1.1.
+The current revision of the collision track file format is 1.2.
 
 **/**
 
@@ -33,7 +33,7 @@ The current revision of the collision track file format is 1.1.
               - ``event_mt`` (*int*) -- ENDF MT number identifying the reaction.
               - ``delayed_group`` (*int*) -- Delayed neutron group index (non-zero for delayed events).
               - ``cell_id`` (*int*) -- ID of the cell in which the collision occurred.
-              - ``nuclide_id`` (*int*) -- ZA identifier of the nuclide (ZZZAAAM format).
+              - ``nuclide_id`` (*int*) -- PDG number of the nuclide (100ZZZAAAM).
               - ``material_id`` (*int*) -- ID of the material containing the collision site.
               - ``universe_id`` (*int*) -- ID of the universe containing the collision site.
               - ``n_collision`` (*int*) -- Collision counter for the particle history.
diff --git a/docs/source/io_formats/settings.rst b/docs/source/io_formats/settings.rst
index 1a436a75e..fb0215916 100644
--- a/docs/source/io_formats/settings.rst
+++ b/docs/source/io_formats/settings.rst
@@ -98,6 +98,11 @@ sub-elements:
     A list of strings representing the nuclide, to define specific
     define specific target nuclide collisions to be banked.
 
+    .. note::
+      Electron and positron collision-track events are not associated with
+      a specific nuclide. If a ``nuclides`` entry is specified, these events
+      are omitted.
+
     *Default*: None
 
   :reactions:
@@ -606,30 +611,30 @@ found in the :ref:`random ray user guide <random_ray>`.
     *Default*: None
 
   :adjoint_source:
-    Specifies an adjoint fixed source for adjoint transport simulations, and 
-    follows the format for :ref:`source_element`. The distributions which make 
-    up the adjoint source are subject to the same restrictions as forward 
+    Specifies an adjoint fixed source for adjoint transport simulations, and
+    follows the format for :ref:`source_element`. The distributions which make
+    up the adjoint source are subject to the same restrictions as forward
     fixed sources in Random Ray mode.
 
     *Default*: None
-  
+
   :adjoint:
-    Specifies whether to perform adjoint transport. The default is 'False', 
+    Specifies whether to perform adjoint transport. The default is 'False',
     corresponding to forward transport.
 
     *Default*: None
-  
+
   :volume_estimator:
-    Specifies choice of volume estimator for the random ray solver. Options 
+    Specifies choice of volume estimator for the random ray solver. Options
     are 'naive', 'simulation_averaged', or 'hybrid'. The default is 'hybrid'.
 
     *Default*: None
 
   :volume_normalized_flux_tallies:
-    Specifies whether to normalize flux tallies by volume (bool). The 
-    default is 'False'. When enabled, flux tallies will be reported in units 
-    of cm/cm^3. When disabled, flux tallies will be reported in units of cm 
-    (i.e., total distance traveled by neutrons in the spatial tally 
+    Specifies whether to normalize flux tallies by volume (bool). The
+    default is 'False'. When enabled, flux tallies will be reported in units
+    of cm/cm^3. When disabled, flux tallies will be reported in units of cm
+    (i.e., total distance traveled by neutrons in the spatial tally
     region).
 
     *Default*: None
@@ -1757,11 +1762,11 @@ mesh-based weight windows.
         The ratio of the lower to upper weight window bounds.
 
         *Default*: 5.0
-    
+
     For FW-CADIS:
 
       :targets:
-        A sequence of IDs corresponding to the tallies which cover phase 
+        A sequence of IDs corresponding to the tallies which cover phase
         space regions of interest for local variance reduction.
 
         *Default*: None
diff --git a/docs/source/usersguide/settings.rst b/docs/source/usersguide/settings.rst
index 8ac07f3c8..e8514b856 100644
--- a/docs/source/usersguide/settings.rst
+++ b/docs/source/usersguide/settings.rst
@@ -792,6 +792,11 @@ collision_track.h5 file at the end of the simulation. The file contains
 300 recorded collisions that occurred in materials with IDs 1 or 2, involving
 fission or (n,2n) reactions on the nuclides U-238 or O-16, within cells
 with IDs 5 and 12.
+
+.. note::
+   Electron and positron collision-track events are not associated with a
+   specific nuclide. If a ``nuclides`` entry is specified, these events are omitted.
+
 The file can be read using :func:`openmc.read_collision_track_file`.
 The example below shows how to extract the data from the collision_track
 feature and displays the fields stored in the file:
diff --git a/include/openmc/constants.h b/include/openmc/constants.h
index 0b425a673..7baed25c5 100644
--- a/include/openmc/constants.h
+++ b/include/openmc/constants.h
@@ -35,7 +35,7 @@ constexpr array<int, 2> VERSION_VOXEL {2, 0};
 constexpr array<int, 2> VERSION_MGXS_LIBRARY {1, 0};
 constexpr array<int, 2> VERSION_PROPERTIES {1, 1};
 constexpr array<int, 2> VERSION_WEIGHT_WINDOWS {1, 0};
-constexpr array<int, 2> VERSION_COLLISION_TRACK {1, 1};
+constexpr array<int, 2> VERSION_COLLISION_TRACK {1, 2};
 
 // ============================================================================
 // ADJUSTABLE PARAMETERS
diff --git a/include/openmc/nuclide.h b/include/openmc/nuclide.h
index 7a8b2acad..ae39a53dd 100644
--- a/include/openmc/nuclide.h
+++ b/include/openmc/nuclide.h
@@ -84,6 +84,9 @@ public:
   double collapse_rate(int MT, double temperature, span<const double> energy,
     span<const double> flux) const;
 
+  //! Return a ParticleType object representing this nuclide
+  ParticleType particle_type() const { return {Z_, A_, metastable_}; }
+
   //============================================================================
   // Data members
   std::string name_; //!< Name of nuclide, e.g. "U235"
diff --git a/src/collision_track.cpp b/src/collision_track.cpp
index 03cbc32b7..2e749007f 100644
--- a/src/collision_track.cpp
+++ b/src/collision_track.cpp
@@ -200,8 +200,13 @@ void collision_track_record(Particle& particle)
     return;
 
   int cell_id = model::cells[cell_index]->id_;
-  const auto* nuclide_ptr = data::nuclides[particle.event_nuclide()].get();
-  std::string nuclide = nuclide_ptr->name_;
+  std::string nuclide {};
+  int nuclide_id = 0;
+  if (particle.event_nuclide() != NUCLIDE_NONE) {
+    const auto* nuclide_ptr = data::nuclides[particle.event_nuclide()].get();
+    nuclide = nuclide_ptr->name_;
+    nuclide_id = nuclide_ptr->particle_type().pdg_number();
+  }
   int universe_id = model::universes[particle.lowest_coord().universe()]->id_;
   double delta_E = particle.E_last() - particle.E();
   int material_index = particle.material();
@@ -224,8 +229,7 @@ void collision_track_record(Particle& particle)
   site.event_mt = particle.event_mt();
   site.delayed_group = particle.delayed_group();
   site.cell_id = cell_id;
-  site.nuclide_id =
-    10000 * nuclide_ptr->Z_ + 10 * nuclide_ptr->A_ + nuclide_ptr->metastable_;
+  site.nuclide_id = nuclide_id;
   site.material_id = material_id;
   site.universe_id = universe_id;
   site.n_collision = particle.n_collision();
diff --git a/tests/regression_tests/collision_track/case_1_Reactions/collision_track_true.h5 b/tests/regression_tests/collision_track/case_1_Reactions/collision_track_true.h5
new file mode 100644
index 0000000000000000000000000000000000000000..c315462134217a7b6f4f23b5831d8097fe92d024
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diff --git a/tests/regression_tests/collision_track/case_1_Reactions/inputs_true.dat b/tests/regression_tests/collision_track/case_1_Reactions/inputs_true.dat
index 7533616c0..005a56020 100644
--- a/tests/regression_tests/collision_track/case_1_Reactions/inputs_true.dat
+++ b/tests/regression_tests/collision_track/case_1_Reactions/inputs_true.dat
@@ -38,9 +38,9 @@
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
-    <particles>100</particles>
+    <particles>80</particles>
     <batches>5</batches>
-    <inactive>1</inactive>
+    <inactive>4</inactive>
     <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
@@ -51,7 +51,7 @@
     </source>
     <collision_track>
       <reactions>(n,fission) 101</reactions>
-      <max_collisions>300</max_collisions>
+      <max_collisions>100</max_collisions>
     </collision_track>
     <seed>1</seed>
   </settings>
diff --git a/tests/regression_tests/collision_track/case_1_Reactions/results_true.dat b/tests/regression_tests/collision_track/case_1_Reactions/results_true.dat
deleted file mode 100644
index d4d1d1e5a..000000000
--- a/tests/regression_tests/collision_track/case_1_Reactions/results_true.dat
+++ /dev/null
@@ -1,2 +0,0 @@
-k-combined:
-5.642735E-02 1.494035E-02
diff --git a/tests/regression_tests/collision_track/case_2_Cell_ID/collision_track_true.h5 b/tests/regression_tests/collision_track/case_2_Cell_ID/collision_track_true.h5
new file mode 100644
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diff --git a/tests/regression_tests/collision_track/case_2_Cell_ID/inputs_true.dat b/tests/regression_tests/collision_track/case_2_Cell_ID/inputs_true.dat
index 55fb835de..8d46c3d3b 100644
--- a/tests/regression_tests/collision_track/case_2_Cell_ID/inputs_true.dat
+++ b/tests/regression_tests/collision_track/case_2_Cell_ID/inputs_true.dat
@@ -38,9 +38,9 @@
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
-    <particles>100</particles>
+    <particles>80</particles>
     <batches>5</batches>
-    <inactive>1</inactive>
+    <inactive>4</inactive>
     <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
@@ -51,7 +51,7 @@
     </source>
     <collision_track>
       <cell_ids>22</cell_ids>
-      <max_collisions>300</max_collisions>
+      <max_collisions>100</max_collisions>
     </collision_track>
     <seed>1</seed>
   </settings>
diff --git a/tests/regression_tests/collision_track/case_2_Cell_ID/results_true.dat b/tests/regression_tests/collision_track/case_2_Cell_ID/results_true.dat
deleted file mode 100644
index d4d1d1e5a..000000000
--- a/tests/regression_tests/collision_track/case_2_Cell_ID/results_true.dat
+++ /dev/null
@@ -1,2 +0,0 @@
-k-combined:
-5.642735E-02 1.494035E-02
diff --git a/tests/regression_tests/collision_track/case_3_Material_ID/collision_track_true.h5 b/tests/regression_tests/collision_track/case_3_Material_ID/collision_track_true.h5
new file mode 100644
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GIT binary patch
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literal 0
HcmV?d00001

diff --git a/tests/regression_tests/collision_track/case_3_Material_ID/inputs_true.dat b/tests/regression_tests/collision_track/case_3_Material_ID/inputs_true.dat
index 61890414b..322e74f49 100644
--- a/tests/regression_tests/collision_track/case_3_Material_ID/inputs_true.dat
+++ b/tests/regression_tests/collision_track/case_3_Material_ID/inputs_true.dat
@@ -38,9 +38,9 @@
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
-    <particles>100</particles>
+    <particles>80</particles>
     <batches>5</batches>
-    <inactive>1</inactive>
+    <inactive>4</inactive>
     <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
@@ -51,7 +51,7 @@
     </source>
     <collision_track>
       <material_ids>1</material_ids>
-      <max_collisions>300</max_collisions>
+      <max_collisions>100</max_collisions>
     </collision_track>
     <seed>1</seed>
   </settings>
diff --git a/tests/regression_tests/collision_track/case_3_Material_ID/results_true.dat b/tests/regression_tests/collision_track/case_3_Material_ID/results_true.dat
deleted file mode 100644
index d4d1d1e5a..000000000
--- a/tests/regression_tests/collision_track/case_3_Material_ID/results_true.dat
+++ /dev/null
@@ -1,2 +0,0 @@
-k-combined:
-5.642735E-02 1.494035E-02
diff --git a/tests/regression_tests/collision_track/case_4_Nuclide_ID/collision_track_true.h5 b/tests/regression_tests/collision_track/case_4_Nuclide_ID/collision_track_true.h5
new file mode 100644
index 0000000000000000000000000000000000000000..527705297feba53a95173def72577be38f8954f8
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HcmV?d00001

diff --git a/tests/regression_tests/collision_track/case_4_Nuclide_ID/inputs_true.dat b/tests/regression_tests/collision_track/case_4_Nuclide_ID/inputs_true.dat
index 8960dde5c..6202bcacc 100644
--- a/tests/regression_tests/collision_track/case_4_Nuclide_ID/inputs_true.dat
+++ b/tests/regression_tests/collision_track/case_4_Nuclide_ID/inputs_true.dat
@@ -38,9 +38,9 @@
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
-    <particles>100</particles>
+    <particles>80</particles>
     <batches>5</batches>
-    <inactive>1</inactive>
+    <inactive>4</inactive>
     <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
@@ -51,7 +51,7 @@
     </source>
     <collision_track>
       <nuclides>O16 U235</nuclides>
-      <max_collisions>300</max_collisions>
+      <max_collisions>100</max_collisions>
     </collision_track>
     <seed>1</seed>
   </settings>
diff --git a/tests/regression_tests/collision_track/case_4_Nuclide_ID/results_true.dat b/tests/regression_tests/collision_track/case_4_Nuclide_ID/results_true.dat
deleted file mode 100644
index d4d1d1e5a..000000000
--- a/tests/regression_tests/collision_track/case_4_Nuclide_ID/results_true.dat
+++ /dev/null
@@ -1,2 +0,0 @@
-k-combined:
-5.642735E-02 1.494035E-02
diff --git a/tests/regression_tests/collision_track/case_5_Universe_ID/collision_track_true.h5 b/tests/regression_tests/collision_track/case_5_Universe_ID/collision_track_true.h5
new file mode 100644
index 0000000000000000000000000000000000000000..65419d5ead9739ee3000454f40eeafe20497d129
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diff --git a/tests/regression_tests/collision_track/case_5_Universe_ID/inputs_true.dat b/tests/regression_tests/collision_track/case_5_Universe_ID/inputs_true.dat
index 8c0d7aa8e..c06061210 100644
--- a/tests/regression_tests/collision_track/case_5_Universe_ID/inputs_true.dat
+++ b/tests/regression_tests/collision_track/case_5_Universe_ID/inputs_true.dat
@@ -38,9 +38,9 @@
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
-    <particles>100</particles>
+    <particles>80</particles>
     <batches>5</batches>
-    <inactive>1</inactive>
+    <inactive>4</inactive>
     <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
@@ -52,7 +52,7 @@
     <collision_track>
       <cell_ids>22</cell_ids>
       <universe_ids>77</universe_ids>
-      <max_collisions>300</max_collisions>
+      <max_collisions>100</max_collisions>
     </collision_track>
     <seed>1</seed>
   </settings>
diff --git a/tests/regression_tests/collision_track/case_5_Universe_ID/results_true.dat b/tests/regression_tests/collision_track/case_5_Universe_ID/results_true.dat
deleted file mode 100644
index d4d1d1e5a..000000000
--- a/tests/regression_tests/collision_track/case_5_Universe_ID/results_true.dat
+++ /dev/null
@@ -1,2 +0,0 @@
-k-combined:
-5.642735E-02 1.494035E-02
diff --git a/tests/regression_tests/collision_track/case_6_deposited_energy_threshold/collision_track_true.h5 b/tests/regression_tests/collision_track/case_6_deposited_energy_threshold/collision_track_true.h5
new file mode 100644
index 0000000000000000000000000000000000000000..507665a60fdac4d894511918d0492b9509172c8e
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diff --git a/tests/regression_tests/collision_track/case_6_deposited_energy_threshold/inputs_true.dat b/tests/regression_tests/collision_track/case_6_deposited_energy_threshold/inputs_true.dat
index 5173dc35c..434f6b434 100644
--- a/tests/regression_tests/collision_track/case_6_deposited_energy_threshold/inputs_true.dat
+++ b/tests/regression_tests/collision_track/case_6_deposited_energy_threshold/inputs_true.dat
@@ -38,9 +38,9 @@
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
-    <particles>100</particles>
+    <particles>80</particles>
     <batches>5</batches>
-    <inactive>1</inactive>
+    <inactive>4</inactive>
     <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
@@ -51,7 +51,7 @@
     </source>
     <collision_track>
       <deposited_E_threshold>550000.0</deposited_E_threshold>
-      <max_collisions>300</max_collisions>
+      <max_collisions>100</max_collisions>
     </collision_track>
     <seed>1</seed>
   </settings>
diff --git a/tests/regression_tests/collision_track/case_6_deposited_energy_threshold/results_true.dat b/tests/regression_tests/collision_track/case_6_deposited_energy_threshold/results_true.dat
deleted file mode 100644
index d4d1d1e5a..000000000
--- a/tests/regression_tests/collision_track/case_6_deposited_energy_threshold/results_true.dat
+++ /dev/null
@@ -1,2 +0,0 @@
-k-combined:
-5.642735E-02 1.494035E-02
diff --git a/tests/regression_tests/collision_track/case_7_all_parameters_used_together/collision_track_true.h5 b/tests/regression_tests/collision_track/case_7_all_parameters_used_together/collision_track_true.h5
new file mode 100644
index 0000000000000000000000000000000000000000..b7ff67c48e1c0261d34de2a9a61179e569671da2
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diff --git a/tests/regression_tests/collision_track/case_7_all_parameters_used_together/inputs_true.dat b/tests/regression_tests/collision_track/case_7_all_parameters_used_together/inputs_true.dat
index 005d9feb2..1449c3596 100644
--- a/tests/regression_tests/collision_track/case_7_all_parameters_used_together/inputs_true.dat
+++ b/tests/regression_tests/collision_track/case_7_all_parameters_used_together/inputs_true.dat
@@ -38,9 +38,9 @@
   </geometry>
   <settings>
     <run_mode>eigenvalue</run_mode>
-    <particles>100</particles>
+    <particles>80</particles>
     <batches>5</batches>
-    <inactive>1</inactive>
+    <inactive>4</inactive>
     <source type="independent" strength="1.0" particle="neutron">
       <space type="box">
         <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
@@ -56,7 +56,7 @@
       <material_ids>1 11</material_ids>
       <nuclides>U238 U235 H1 U234</nuclides>
       <deposited_E_threshold>100000.0</deposited_E_threshold>
-      <max_collisions>300</max_collisions>
+      <max_collisions>100</max_collisions>
     </collision_track>
     <seed>1</seed>
   </settings>
diff --git a/tests/regression_tests/collision_track/case_7_all_parameters_used_together/results_true.dat b/tests/regression_tests/collision_track/case_7_all_parameters_used_together/results_true.dat
deleted file mode 100644
index d4d1d1e5a..000000000
--- a/tests/regression_tests/collision_track/case_7_all_parameters_used_together/results_true.dat
+++ /dev/null
@@ -1,2 +0,0 @@
-k-combined:
-5.642735E-02 1.494035E-02
diff --git a/tests/regression_tests/collision_track/case_8_2threads/inputs_true.dat b/tests/regression_tests/collision_track/case_8_2threads/inputs_true.dat
deleted file mode 100644
index 514932c1a..000000000
--- a/tests/regression_tests/collision_track/case_8_2threads/inputs_true.dat
+++ /dev/null
@@ -1,57 +0,0 @@
-<?xml version='1.0' encoding='utf-8'?>
-<model>
-  <materials>
-    <material id="1" depletable="true">
-      <density value="11.0" units="g/cm3"/>
-      <nuclide name="U234" ao="0.0004524"/>
-      <nuclide name="U235" ao="0.0506068"/>
-      <nuclide name="U238" ao="0.948709"/>
-      <nuclide name="U236" ao="0.0002318"/>
-      <nuclide name="O16" ao="2.0"/>
-    </material>
-    <material id="11">
-      <density value="1.0" units="g/cm3"/>
-      <nuclide name="H1" ao="2.0"/>
-      <nuclide name="O16" ao="1.0"/>
-    </material>
-  </materials>
-  <geometry>
-    <cell id="5" fill="77" region="-5 4 -7 6 -9 8" universe="1"/>
-    <cell id="8" material="11" region="-11 10 -13 12 -15 14 (5 | -4 | 7 | -6 | 9 | -8)" universe="1"/>
-    <cell id="22" material="1" region="-1 2 -3" universe="77"/>
-    <cell id="33" material="11" region="1 | -2 | 3" universe="77"/>
-    <surface id="1" type="z-cylinder" coeffs="0.0 0.0 2.0"/>
-    <surface id="2" type="z-plane" coeffs="-2.0"/>
-    <surface id="3" type="z-plane" coeffs="2.0"/>
-    <surface id="4" type="x-plane" coeffs="-3.0"/>
-    <surface id="5" type="x-plane" coeffs="3.0"/>
-    <surface id="6" type="y-plane" coeffs="-3.0"/>
-    <surface id="7" type="y-plane" coeffs="3.0"/>
-    <surface id="8" type="z-plane" coeffs="-3.0"/>
-    <surface id="9" type="z-plane" coeffs="3.0"/>
-    <surface id="10" type="x-plane" boundary="vacuum" coeffs="-4.0"/>
-    <surface id="11" type="x-plane" boundary="vacuum" coeffs="4.0"/>
-    <surface id="12" type="y-plane" boundary="vacuum" coeffs="-4.0"/>
-    <surface id="13" type="y-plane" boundary="vacuum" coeffs="4.0"/>
-    <surface id="14" type="z-plane" boundary="vacuum" coeffs="-4.0"/>
-    <surface id="15" type="z-plane" boundary="vacuum" coeffs="4.0"/>
-  </geometry>
-  <settings>
-    <run_mode>eigenvalue</run_mode>
-    <particles>100</particles>
-    <batches>5</batches>
-    <inactive>1</inactive>
-    <source type="independent" strength="1.0" particle="neutron">
-      <space type="box">
-        <parameters>-2.0 -2.0 -2.0 2.0 2.0 2.0</parameters>
-      </space>
-      <constraints>
-        <fissionable>true</fissionable>
-      </constraints>
-    </source>
-    <collision_track>
-      <max_collisions>200</max_collisions>
-    </collision_track>
-    <seed>1</seed>
-  </settings>
-  </model>
diff --git a/tests/regression_tests/collision_track/case_8_2threads/results_true.dat b/tests/regression_tests/collision_track/case_8_2threads/results_true.dat
deleted file mode 100644
index d4d1d1e5a..000000000
--- a/tests/regression_tests/collision_track/case_8_2threads/results_true.dat
+++ /dev/null
@@ -1,2 +0,0 @@
-k-combined:
-5.642735E-02 1.494035E-02
diff --git a/tests/regression_tests/collision_track/test.py b/tests/regression_tests/collision_track/test.py
index 00e1e3de4..2f9de9ac0 100644
--- a/tests/regression_tests/collision_track/test.py
+++ b/tests/regression_tests/collision_track/test.py
@@ -59,28 +59,13 @@ TODO:
 
 """
 
-import os
-
 import openmc
-import openmc.lib
 import pytest
 
 from tests.testing_harness import CollisionTrackTestHarness
 from tests.regression_tests import config
 
 
-@pytest.fixture(scope="function")
-def two_threads(monkeypatch):
-    """Set the number of OMP threads to 2 for the test."""
-    monkeypatch.setenv("OMP_NUM_THREADS", "2")
-
-
-@pytest.fixture(scope="function")
-def single_process(monkeypatch):
-    """Set the number of MPI process to 1 for the test."""
-    monkeypatch.setitem(config, "mpi_np", "1")
-
-
 @pytest.fixture(scope="module")
 def model_1():
     """Cylindrical core contained in a first box which is contained in a larger box.
@@ -181,9 +166,9 @@ def model_1():
     # =============================================================================
 
     model.settings = openmc.Settings()
-    model.settings.particles = 100
+    model.settings.particles = 80
     model.settings.batches = 5
-    model.settings.inactive = 1
+    model.settings.inactive = 4
     model.settings.seed = 1
 
     bounds = [
@@ -203,19 +188,19 @@ def model_1():
 
 @pytest.mark.parametrize(
     "folder, model_name, parameter",
-    [("case_1_Reactions", "model_1", {"max_collisions": 300, "reactions": ["(n,fission)", 101]}),
+    [("case_1_Reactions", "model_1", {"max_collisions": 100, "reactions": ["(n,fission)", 101]}),
         ("case_2_Cell_ID", "model_1", {
-         "max_collisions": 300, "cell_ids": [22]}),
+         "max_collisions": 100, "cell_ids": [22]}),
         ("case_3_Material_ID", "model_1", {
-         "max_collisions": 300, "material_ids": [1]}),
+         "max_collisions": 100, "material_ids": [1]}),
         ("case_4_Nuclide_ID", "model_1", {
-         "max_collisions": 300, "nuclides": ["O16", "U235"]}),
+         "max_collisions": 100, "nuclides": ["O16", "U235"]}),
         ("case_5_Universe_ID", "model_1", {
-         "max_collisions": 300, "cell_ids": [22], "universe_ids": [77]}),
+         "max_collisions": 100, "cell_ids": [22], "universe_ids": [77]}),
         ("case_6_deposited_energy_threshold", "model_1", {
-         "max_collisions": 300, "deposited_E_threshold": 5.5e5}),
+         "max_collisions": 100, "deposited_E_threshold": 5.5e5}),
         ("case_7_all_parameters_used_together", "model_1", {
-            "max_collisions": 300,
+            "max_collisions": 100,
             "reactions": ["elastic", 18, "(n,disappear)"],
             "material_ids": [1, 11],
             "universe_ids": [77],
@@ -235,21 +220,3 @@ def test_collision_track_several_cases(
         "statepoint.5.h5", model=model, workdir=folder
     )
     harness.main()
-
-
-@pytest.mark.skipif(config["event"], reason="Results from history-based mode.")
-def test_collision_track_2threads(model_1, two_threads, single_process):
-    # This test checks that the `max_collisions` setting is honored:
-    # no collisions beyond the specified limit should be recorded.
-    #
-    # For the result to be reproducible, the number of threads and
-    # the transport mode (history vs. event) must remain fixed.
-    assert os.environ["OMP_NUM_THREADS"] == "2"
-    assert config["mpi_np"] == "1"
-    model_1.settings.collision_track = {
-        "max_collisions": 200
-    }
-    harness = CollisionTrackTestHarness(
-        "statepoint.5.h5", model=model_1, workdir="case_8_2threads"
-    )
-    harness.main()
diff --git a/tests/testing_harness.py b/tests/testing_harness.py
index 1ad91b7a8..8d156bd64 100644
--- a/tests/testing_harness.py
+++ b/tests/testing_harness.py
@@ -546,19 +546,19 @@ class CollisionTrackTestHarness(PyAPITestHarness):
 
     def _test_output_created(self):
         """Make sure collision_track.h5 has also been created."""
-        super()._test_output_created()
         if self._model.settings.collision_track:
             assert os.path.exists(
                 "collision_track.h5"
             ), "collision_track file has not been created."
 
-    def _compare_output(self):
+    def _compare_results(self):
         """Compare collision_track.h5 files."""
         if self._model.settings.collision_track:
             collision_track_true = self._return_collision_track_data(
                 "collision_track_true.h5")
             collision_track_test = self._return_collision_track_data(
                 "collision_track.h5")
+            assert collision_track_true.shape == collision_track_test.shape
             np.testing.assert_allclose(
                 collision_track_true, collision_track_test, rtol=1e-07)
 
@@ -582,15 +582,18 @@ class CollisionTrackTestHarness(PyAPITestHarness):
 
     def _overwrite_results(self):
         """Also add the 'collision_track.h5' file during overwriting."""
-        super()._overwrite_results()
         if os.path.exists("collision_track.h5"):
             shutil.copyfile("collision_track.h5", "collision_track_true.h5")
 
+    def _write_results(self, results_string):
+        # The result file for this test are written by the OpenMC executable itself
+        pass
+
     @staticmethod
     def _return_collision_track_data(filepath):
         """
-        Read a collision_track file and return a sorted array composed
-        of flatten arrays of collision information.
+        Read a collision_track file and return a sorted array composed of
+        flattened collision records.
 
         Parameters
         ----------
@@ -600,42 +603,58 @@ class CollisionTrackTestHarness(PyAPITestHarness):
         Returns
         -------
         data : np.array
-            Sorted array composed of flatten arrays of collision_track data for
-            each collision information
+            Sorted array composed of flattened collision-track records.
         """
-        data = []
-        keys = []
-
-        # Read source file
         source = openmc.read_collision_track_file(filepath)
-        for src in source:
-            r = src['r']
-            u = src['u']
-            e = src['E']
-            de = src['dE']
-            time = src['time']
-            wgt = src['wgt']
-            delayed_group = src['delayed_group']
-            cell_id = src['cell_id']
-            nuclide_id = src['nuclide_id']
-            material_id = src['material_id']
-            universe_id = src['universe_id']
-            n_collision = src['n_collision']
-            event_mt = src['event_mt']
-            key = (
-                f"{r[0]:.10e} {r[1]:.10e} {r[2]:.10e} {u[0]:.10e} {u[1]:.10e} {u[2]:.10e}"
-                f"{e:.10e} {de:.10e}  {time:.10e} {wgt:.10e} {event_mt} {delayed_group} {cell_id}"
-                f"{nuclide_id} {material_id} {universe_id} {n_collision} "
-            )
-            keys.append(key)
-            values = [*r, *u, e, de, time, wgt, event_mt,
-                      delayed_group, cell_id, nuclide_id, material_id,
-                      universe_id, n_collision]
-            assert len(values) == 17
-            data.append(values)
+        columns = [
+            source['r']['x'],
+            source['r']['y'],
+            source['r']['z'],
+            source['u']['x'],
+            source['u']['y'],
+            source['u']['z'],
+            source['E'],
+            source['dE'],
+            source['time'],
+            source['wgt'],
+            source['event_mt'],
+            source['delayed_group'],
+            source['cell_id'],
+            source['nuclide_id'],
+            source['material_id'],
+            source['universe_id'],
+            source['n_collision'],
+            source['particle'],
+            source['parent_id'],
+            source['progeny_id'],
+        ]
+        data = np.column_stack(columns)
 
-        data = np.array(data)
-        keys = np.array(keys)
-        sorted_idx = np.argsort(keys, kind='stable')
+        # Sort by the complete record, prioritizing stable integer identifiers
+        # before floating-point fields. This removes dependence on the order in
+        # which threads append otherwise reproducible collision records.
+        sort_columns = [
+            source['parent_id'],
+            source['progeny_id'],
+            source['n_collision'],
+            source['particle'],
+            source['cell_id'],
+            source['material_id'],
+            source['universe_id'],
+            source['nuclide_id'],
+            source['event_mt'],
+            source['delayed_group'],
+            source['r']['x'],
+            source['r']['y'],
+            source['r']['z'],
+            source['u']['x'],
+            source['u']['y'],
+            source['u']['z'],
+            source['E'],
+            source['dE'],
+            source['time'],
+            source['wgt'],
+        ]
+        sorted_idx = np.lexsort(tuple(reversed(sort_columns)))
 
         return data[sorted_idx]
diff --git a/tests/unit_tests/test_collision_track.py b/tests/unit_tests/test_collision_track.py
index 25344a3bd..96676e2cd 100644
--- a/tests/unit_tests/test_collision_track.py
+++ b/tests/unit_tests/test_collision_track.py
@@ -34,6 +34,7 @@ def geometry():
         {"max_collisions": 200, "mcpl": True}
 
     ],
+    ids=str
 )
 def test_xml_serialization(parameter, run_in_tmpdir):
     """Check that the different use cases can be written and read in XML."""
@@ -45,7 +46,7 @@ def test_xml_serialization(parameter, run_in_tmpdir):
     assert read_settings.collision_track == parameter
 
 
-@pytest.fixture(scope="module")
+@pytest.fixture
 def model():
     """Simple hydrogen sphere divided in two hemispheres
     by a z-plane to form 2 cells."""
@@ -127,3 +128,43 @@ def test_format_similarity(run_in_tmpdir, model):
     np.testing.assert_allclose(data_h5, data_mcpl, rtol=1e-05)
     # tolerance not that low due to the strings that is saved in MCPL,
     # not enough precision!
+
+
+def test_photon_particles(run_in_tmpdir, model):
+    """Test that the collision track can be used to track photon particles."""
+    model.settings.collision_track = {"max_collisions": 200, "cell_ids": [1, 2]}
+
+    model.settings.source = openmc.IndependentSource(
+        space=openmc.stats.Box(*model.geometry.bounding_box),
+        energy=openmc.stats.delta_function(1e5),
+        particle='photon'
+    )
+    model.run()
+
+    with h5py.File("collision_track.h5", "r") as f:
+        source = f["collision_track_bank"]
+
+        assert len(source) < 200
+
+        allowed_particles = (openmc.ParticleType.PHOTON, openmc.ParticleType.ELECTRON)
+
+        for point in source:
+            particle_type = openmc.ParticleType(point['particle'])
+            assert particle_type in allowed_particles
+
+            if particle_type == openmc.ParticleType.ELECTRON:
+                assert point['nuclide_id'] == 0
+
+
+def test_collision_track_two_threads(model, run_in_tmpdir):
+    # This test checks that the `max_collisions` setting is honored:
+    # no collisions beyond the specified limit should be recorded.
+    #
+    # The exact set of events in the capped bank is not reproducible with
+    # multiple threads because the bank stores whichever thread appends first
+    # until capacity is reached.
+    model.settings.collision_track = {"max_collisions": 200}
+    model.run(threads=2, particles=500)
+
+    collision_track = openmc.read_collision_track_hdf5("collision_track.h5")
+    assert len(collision_track) == 200

From 998565808ea2c4e85fcf45686de4f5eefac6b300 Mon Sep 17 00:00:00 2001
From: Logan Harbour <loganhharbour@gmail.com>
Date: Mon, 8 Jun 2026 21:07:21 -0600
Subject: [PATCH 2619/2654] Use non-deprecated methods for getting libMesh node
 points (#3963)

---
 src/mesh.cpp | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/src/mesh.cpp b/src/mesh.cpp
index 5ab7ac398..181af8466 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -3670,7 +3670,7 @@ Position LibMesh::sample_element(int32_t bin, uint64_t* seed) const
   // Get tet vertex coordinates from LibMesh
   std::array<Position, 4> tet_verts;
   for (int i = 0; i < elem.n_nodes(); i++) {
-    auto node_ref = elem.node_ref(i);
+    const auto& node_ref = elem.node_ref(i);
     tet_verts[i] = {node_ref(0), node_ref(1), node_ref(2)};
   }
   // Samples position within tet using Barycentric coordinates
@@ -3700,7 +3700,7 @@ int LibMesh::n_vertices() const
 
 Position LibMesh::vertex(int vertex_id) const
 {
-  const auto node_ref = m_->node_ref(vertex_id);
+  const auto& node_ref = m_->node_ref(vertex_id);
   if (length_multiplier_ > 0.0) {
     return length_multiplier_ * Position(node_ref(0), node_ref(1), node_ref(2));
   } else {

From 02eb999af1e30b6a61c092baeebe2329ac5719c8 Mon Sep 17 00:00:00 2001
From: GuySten <62616591+GuySten@users.noreply.github.com>
Date: Tue, 9 Jun 2026 06:09:25 +0300
Subject: [PATCH 2620/2654] fix tmate start only on successful tests (#3954)

---
 .github/workflows/ci.yml | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
index b8c14279b..c3da79c04 100644
--- a/.github/workflows/ci.yml
+++ b/.github/workflows/ci.yml
@@ -177,7 +177,7 @@ jobs:
 
       - name: Setup tmate debug session
         continue-on-error: true
-        if: ${{ contains(env.COMMIT_MESSAGE, '[gha-debug]') }}
+        if: ${{ failure() && contains(env.COMMIT_MESSAGE, '[gha-debug]') }}
         uses: mxschmitt/action-tmate@v3
         timeout-minutes: 10
 

From 09ee8308d089c6e4be8e025edc619b9d650a3acd Mon Sep 17 00:00:00 2001
From: stetsonschott <stetsonschott13@gmail.com>
Date: Wed, 17 Jun 2026 20:33:40 -0500
Subject: [PATCH 2621/2654] Replaced 'C0' by elemental carbon in
 `openmc/examples.py'. (#3974)

---
 openmc/examples.py | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/openmc/examples.py b/openmc/examples.py
index 90a0bffe7..6895bd94b 100644
--- a/openmc/examples.py
+++ b/openmc/examples.py
@@ -150,7 +150,7 @@ def pwr_core() -> openmc.Model:
     rpv_steel.add_nuclide('Ni60', 0.0026776, 'wo')
     rpv_steel.add_nuclide('Mn55', 0.01, 'wo')
     rpv_steel.add_nuclide('Cr52', 0.002092475, 'wo')
-    rpv_steel.add_nuclide('C0', 0.0025, 'wo')
+    rpv_steel.add_element('C', 0.0025, 'wo')
     rpv_steel.add_nuclide('Cu63', 0.0013696, 'wo')
 
     lower_rad_ref = openmc.Material(6, name='Lower radial reflector')
@@ -1618,4 +1618,4 @@ def random_ray_three_region_cube_with_detectors() -> openmc.Model:
     model.settings = settings
     model.tallies = tallies
 
-    return model
\ No newline at end of file
+    return model

From 608a1c3386db6af88d70d35cc2202d3955aea30b Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Tue, 23 Jun 2026 02:00:47 -0500
Subject: [PATCH 2622/2654] Fix several issues related to independent operator
 depletion (#3977)

---
 openmc/deplete/independent_operator.py   |  4 ++
 openmc/deplete/microxs.py                | 63 ++++++++++++++++++------
 tests/unit_tests/test_deplete_microxs.py | 60 ++++++++++++++++++++++
 3 files changed, 112 insertions(+), 15 deletions(-)

diff --git a/openmc/deplete/independent_operator.py b/openmc/deplete/independent_operator.py
index c12863956..bdfc32763 100644
--- a/openmc/deplete/independent_operator.py
+++ b/openmc/deplete/independent_operator.py
@@ -339,8 +339,12 @@ class IndependentOperator(OpenMCOperator):
 
             for i_nuc in nuc_index:
                 nuc = self.nuc_ind_map[i_nuc]
+                if nuc not in xs._index_nuc:
+                    continue
                 for i_rx in react_index:
                     rx = self.rx_ind_map[i_rx]
+                    if rx not in xs._index_rx:
+                        continue
 
                     # Determine reaction rate by multiplying xs in [b] by flux
                     # in [n-cm/src] to give [(reactions/src)*b-cm/atom]
diff --git a/openmc/deplete/microxs.py b/openmc/deplete/microxs.py
index 687cf646f..42bb958ca 100644
--- a/openmc/deplete/microxs.py
+++ b/openmc/deplete/microxs.py
@@ -84,7 +84,12 @@ def get_microxs_and_flux(
         reactions listed in the depletion chain file are used.
     energies : iterable of float or str
         Energy group boundaries in [eV] or the name of the group structure.
-        If left as None energies will default to [0.0, 100e6]
+        If left as None, no energy filter is applied to the flux tally. When
+        `reaction_rate_mode` is "direct", these boundaries define the output
+        flux and microscopic cross section energy group structure. When
+        `reaction_rate_mode` is "flux", these boundaries define the multigroup
+        flux tally used to collapse continuous-energy cross sections; returned
+        fluxes and microscopic cross sections are one-group.
     reaction_rate_mode : {"direct", "flux"}, optional
         The "direct" method tallies reaction rates directly (per energy
         group). The "flux" method tallies a multigroup flux spectrum and then
@@ -110,7 +115,9 @@ def get_microxs_and_flux(
     reaction_rate_opts : dict, optional
         When `reaction_rate_mode="flux"`, allows selecting a subset of
         nuclide/reaction pairs to be computed via direct reaction-rate tallies
-        (per energy group). Supported keys: "nuclides", "reactions".
+        over one energy bin spanning the full `energies` range. Supported keys:
+        "nuclides", "reactions". If "reactions" are specified without
+        "nuclides", all selected nuclides are used.
 
     Returns
     -------
@@ -139,10 +146,14 @@ def get_microxs_and_flux(
         nuclides = [nuc.name for nuc in chain.nuclides
                     if nuc.name in nuclides_with_data]
 
-    # Set up the reaction rate and flux tallies
+    # Set up the reaction rate and flux tallies. When energies are omitted, no
+    # energy filter is needed for the transport calculation. A one-group energy
+    # range is still needed later if flux collapse is requested.
+    collapse_energies = energies
     if energies is None:
-        energies = [0.0, 100.0e6]
-    if isinstance(energies, str):
+        energy_filter = None
+        collapse_energies = [0.0, 100.0e6]
+    elif isinstance(energies, str):
         energy_filter = openmc.EnergyFilter.from_group_structure(energies)
     else:
         energy_filter = openmc.EnergyFilter(energies)
@@ -172,8 +183,11 @@ def get_microxs_and_flux(
         rr_reactions = list(reactions)
     elif reaction_rate_mode == 'flux' and reaction_rate_opts:
         opts = reaction_rate_opts or {}
-        rr_nuclides = list(opts.get('nuclides', []))
         rr_reactions = list(opts.get('reactions', []))
+        if rr_reactions:
+            rr_nuclides = list(opts.get('nuclides', nuclides))
+        else:
+            rr_nuclides = list(opts.get('nuclides', []))
         # Keep only requested pairs within overall sets
         if rr_nuclides:
             rr_nuclides = [n for n in rr_nuclides if n in set(nuclides)]
@@ -182,7 +196,7 @@ def get_microxs_and_flux(
 
     # Use 1-group energy filter for RR in flux mode
     has_rr = bool(rr_nuclides and rr_reactions)
-    if has_rr and reaction_rate_mode == 'flux':
+    if has_rr and reaction_rate_mode == 'flux' and energy_filter is not None:
         rr_energy_filter = openmc.EnergyFilter(
             [energy_filter.values[0], energy_filter.values[-1]])
     else:
@@ -194,14 +208,18 @@ def get_microxs_and_flux(
     model.tallies = []
     for i, domain_filter in enumerate(domain_filters):
         flux_tally = openmc.Tally(name=f'MicroXS flux {i}')
-        flux_tally.filters = [domain_filter, energy_filter]
+        flux_tally.filters = [domain_filter]
+        if energy_filter is not None:
+            flux_tally.filters.append(energy_filter)
         flux_tally.scores = ['flux']
         model.tallies.append(flux_tally)
         flux_tallies.append(flux_tally)
 
         if has_rr:
             rr_tally = openmc.Tally(name=f'MicroXS RR {i}')
-            rr_tally.filters = [domain_filter, rr_energy_filter]
+            rr_tally.filters = [domain_filter]
+            if rr_energy_filter is not None:
+                rr_tally.filters.append(rr_energy_filter)
             rr_tally.nuclides = rr_nuclides
             rr_tally.multiply_density = False
             rr_tally.scores = rr_reactions
@@ -255,8 +273,12 @@ def get_microxs_and_flux(
     all_flux_arrays = []
     for flux_tally in flux_tallies:
         # Get flux values and make energy groups last dimension
-        flux = flux_tally.get_reshaped_data()  # (domains, groups, 1, 1)
-        flux = np.moveaxis(flux, 1, -1)  # (domains, 1, 1, groups)
+        flux = flux_tally.get_reshaped_data()
+        if energy_filter is None:
+            flux = flux[..., np.newaxis]  # (domains, 1, 1, groups)
+        else:
+            # (domains, groups, 1, 1) -> (domains, 1, 1, groups)
+            flux = np.moveaxis(flux, 1, -1)
         all_flux_arrays.append(flux)
         fluxes.extend(flux.squeeze((1, 2)))
 
@@ -266,8 +288,15 @@ def get_microxs_and_flux(
         for flux_arr, rr_tally in zip(all_flux_arrays, rr_tallies):
             flux = flux_arr
             # Get reaction rates and make energy groups last dimension
-            reaction_rates = rr_tally.get_reshaped_data()  # (domains, groups, nuclides, reactions)
-            reaction_rates = np.moveaxis(reaction_rates, 1, -1)  # (domains, nuclides, reactions, groups)
+            reaction_rates = rr_tally.get_reshaped_data()
+            if rr_energy_filter is None:
+                # (domains, nuclides, reactions) ->
+                # (domains, nuclides, reactions, groups)
+                reaction_rates = reaction_rates[..., np.newaxis]
+            else:
+                # (domains, groups, nuclides, reactions) ->
+                # (domains, nuclides, reactions, groups)
+                reaction_rates = np.moveaxis(reaction_rates, 1, -1)
 
             # If RR is 1-group, sum flux over groups
             if reaction_rate_mode == "flux":
@@ -279,16 +308,20 @@ def get_microxs_and_flux(
             direct_micros.extend(
                 MicroXS(xs_i, rr_nuclides, rr_reactions) for xs_i in xs)
 
-    # If using flux mode, compute flux-collapsed microscopic XS
     if reaction_rate_mode == 'flux':
+        # Compute flux-collapsed microscopic XS
         flux_micros = [MicroXS.from_multigroup_flux(
-            energies=energies,
+            energies=collapse_energies,
             multigroup_flux=flux_i,
             chain_file=chain_file,
             nuclides=nuclides,
             reactions=reactions
         ) for flux_i in fluxes]
 
+        # We need to return one-group fluxes to match the microscopic cross
+        # sections, which are always one-group by virtue of the collapse
+        fluxes = [flux.sum(keepdims=True) for flux in fluxes]
+
     # Decide which micros to use and merge if needed
     if reaction_rate_mode == 'flux' and rr_tallies:
         micros = [m1.merge(m2) for m1, m2 in zip(flux_micros, direct_micros)]
diff --git a/tests/unit_tests/test_deplete_microxs.py b/tests/unit_tests/test_deplete_microxs.py
index 26529e6ce..0b1937fac 100644
--- a/tests/unit_tests/test_deplete_microxs.py
+++ b/tests/unit_tests/test_deplete_microxs.py
@@ -179,6 +179,66 @@ def test_hybrid_tally_setup():
     assert ef.values[0] == pytest.approx(energies[0])
     assert ef.values[-1] == pytest.approx(energies[-1])
 
+
+def _simple_model():
+    model = openmc.Model()
+    mat = openmc.Material(components={'H1': 1.0, 'H2': 1.0},
+                          density=5.0, density_units='g/cm3')
+    sphere = openmc.Sphere(r=10.0, boundary_type='vacuum')
+    cell = openmc.Cell(region=-sphere, fill=mat)
+    model.geometry = openmc.Geometry([cell])
+    model.settings.particles = 100
+    model.settings.batches = 5
+    model.settings.run_mode = 'fixed source'
+    return model, mat
+
+
+def test_hybrid_tally_defaults_to_all_nuclides(run_in_tmpdir):
+    energies = [0., 0.625, 2.0e7]
+    kwargs = {
+        'nuclides': ['H1', 'H2'],
+        'reactions': ['(n,2n)', '(n,gamma)'],
+        'energies': energies,
+        'reaction_rate_mode': 'flux',
+        'chain_file': CHAIN_FILE,
+    }
+
+    model, mat = _simple_model()
+    default_fluxes, default_micros = get_microxs_and_flux(
+        model, [mat], reaction_rate_opts={'reactions': ['(n,2n)']}, **kwargs
+    )
+
+    model, mat = _simple_model()
+    explicit_fluxes, explicit_micros = get_microxs_and_flux(
+        model, [mat],
+        reaction_rate_opts={
+            'nuclides': ['H1', 'H2'],
+            'reactions': ['(n,2n)']
+        },
+        **kwargs
+    )
+
+    np.testing.assert_allclose(default_fluxes[0], explicit_fluxes[0])
+    np.testing.assert_allclose(default_micros[0].data, explicit_micros[0].data)
+    assert default_micros[0].nuclides == explicit_micros[0].nuclides
+    assert default_micros[0].reactions == explicit_micros[0].reactions
+
+
+def test_flux_mode_returns_one_group_flux(run_in_tmpdir):
+    model, mat = _simple_model()
+    fluxes, micros = get_microxs_and_flux(
+        model, [mat],
+        nuclides=['H1'],
+        reactions=['(n,2n)'],
+        energies=[0., 0.625, 2.0e7],
+        reaction_rate_mode='flux',
+        chain_file=CHAIN_FILE,
+    )
+
+    assert fluxes[0].shape == (1,)
+    assert micros[0].data.shape == (1, 1, 1)
+    assert fluxes[0][0] > 0.0
+
 # ---------------------------------------------------------------------------
 # Tests for MicroXS.merge()
 # ---------------------------------------------------------------------------

From 4d6244d93c78daafdb4db19bdff37fd204306666 Mon Sep 17 00:00:00 2001
From: GuySten <62616591+GuySten@users.noreply.github.com>
Date: Thu, 25 Jun 2026 00:09:16 +0300
Subject: [PATCH 2623/2654] Fix for numpy 2.5.0 (#3981)

---
 tests/regression_tests/mg_temperature/build_2g.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/tests/regression_tests/mg_temperature/build_2g.py b/tests/regression_tests/mg_temperature/build_2g.py
index 1fb723449..bca87364e 100644
--- a/tests/regression_tests/mg_temperature/build_2g.py
+++ b/tests/regression_tests/mg_temperature/build_2g.py
@@ -227,7 +227,7 @@ def analytical_solution_2g_therm(xsmin, xsmax=None, wgt=1.0):
     L = np.array([sa[0] + ss12, 0.0, -ss12, sa[1]]).reshape(2, 2)
     Q = np.array([nsf[0], nsf[1], 0.0, 0.0]).reshape(2, 2)
     arr = np.linalg.inv(L).dot(Q)
-    return np.amax(np.linalg.eigvals(arr))
+    return np.amax(np.linalg.eigvals(arr).real)
 
 
 def build_inf_model(xsnames, xslibname, temperature, tempmethod='nearest'):

From d06fdee93a3b6b52a22d90bcee2f6382f6171ee6 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Tue, 30 Jun 2026 16:38:09 +0200
Subject: [PATCH 2624/2654] Preserve user material names in
 convert_to_multigroup and avoid overwriting material with same name bug fix
 (#3984)

---
 openmc/model/model.py                         | 17 +++++++----
 .../infinite_medium/inputs_true.dat           | 10 +++----
 .../material_wise/inputs_true.dat             | 10 +++----
 .../stochastic_slab/inputs_true.dat           | 10 +++----
 .../infinite_medium/inputs_true.dat           | 10 +++----
 .../material_wise/inputs_true.dat             | 10 +++----
 .../stochastic_slab/inputs_true.dat           | 10 +++----
 .../infinite_medium/model/inputs_true.dat     | 10 +++----
 .../infinite_medium/user/inputs_true.dat      | 10 +++----
 .../stochastic_slab/model/inputs_true.dat     | 10 +++----
 .../stochastic_slab/user/inputs_true.dat      | 10 +++----
 .../infinite_medium/inputs_true.dat           | 10 +++----
 .../material_wise/inputs_true.dat             | 10 +++----
 .../stochastic_slab/inputs_true.dat           | 10 +++----
 .../inputs_true.dat                           | 10 +++----
 tests/unit_tests/test_model.py                | 29 +++++++++++++++++++
 16 files changed, 111 insertions(+), 75 deletions(-)

diff --git a/openmc/model/model.py b/openmc/model/model.py
index d927b65ae..328494288 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -2772,12 +2772,15 @@ class Model:
                     self.settings.run_mode = original_run_mode
                     break
 
-            # Make sure all materials have a name, and that the name is a valid HDF5
-            # dataset name
+            # Temporarily replace each material's name with a unique, valid HDF5
+            # dataset name (its name plus ID) for use as its MGXS library entry
+            # and macroscopic. The ID keeps the name unique even when materials
+            # share a name; the original names are restored at the end.
+            original_names = [material.name for material in self.materials]
             for material in self.materials:
-                if not material.name or not material.name.strip():
-                    material.name = f"material {material.id}"
-                material.name = re.sub(r'[^a-zA-Z0-9]', '_', material.name)
+                base = material.name if material.name and material.name.strip() \
+                    else "material"
+                material.name = re.sub(r'[^a-zA-Z0-9]', '_', base) + f"_{material.id}"
 
             # If needed, generate the needed MGXS data library file
             if not Path(mgxs_path).is_file() or overwrite_mgxs_library:
@@ -2809,6 +2812,10 @@ class Model:
 
             self.settings.energy_mode = 'multi-group'
 
+            # Restore the user's original material names.
+            for material, name in zip(self.materials, original_names):
+                material.name = name
+
     def convert_to_random_ray(self):
         """Convert a multigroup model to use random ray.
 
diff --git a/tests/regression_tests/random_ray_auto_convert/infinite_medium/inputs_true.dat b/tests/regression_tests/random_ray_auto_convert/infinite_medium/inputs_true.dat
index 86d5ec4ab..81f8c98ca 100644
--- a/tests/regression_tests/random_ray_auto_convert/infinite_medium/inputs_true.dat
+++ b/tests/regression_tests/random_ray_auto_convert/infinite_medium/inputs_true.dat
@@ -2,17 +2,17 @@
 <model>
   <materials>
     <cross_sections>mgxs.h5</cross_sections>
-    <material id="1" name="UO2__2_4__" depletable="true">
+    <material id="1" name="UO2 (2.4%)" depletable="true">
       <density value="1.0" units="macro"/>
-      <macroscopic name="UO2__2_4__"/>
+      <macroscopic name="UO2__2_4___1"/>
     </material>
     <material id="2" name="Zircaloy">
       <density value="1.0" units="macro"/>
-      <macroscopic name="Zircaloy"/>
+      <macroscopic name="Zircaloy_2"/>
     </material>
-    <material id="3" name="Hot_borated_water">
+    <material id="3" name="Hot borated water">
       <density value="1.0" units="macro"/>
-      <macroscopic name="Hot_borated_water"/>
+      <macroscopic name="Hot_borated_water_3"/>
     </material>
   </materials>
   <geometry>
diff --git a/tests/regression_tests/random_ray_auto_convert/material_wise/inputs_true.dat b/tests/regression_tests/random_ray_auto_convert/material_wise/inputs_true.dat
index 86d5ec4ab..81f8c98ca 100644
--- a/tests/regression_tests/random_ray_auto_convert/material_wise/inputs_true.dat
+++ b/tests/regression_tests/random_ray_auto_convert/material_wise/inputs_true.dat
@@ -2,17 +2,17 @@
 <model>
   <materials>
     <cross_sections>mgxs.h5</cross_sections>
-    <material id="1" name="UO2__2_4__" depletable="true">
+    <material id="1" name="UO2 (2.4%)" depletable="true">
       <density value="1.0" units="macro"/>
-      <macroscopic name="UO2__2_4__"/>
+      <macroscopic name="UO2__2_4___1"/>
     </material>
     <material id="2" name="Zircaloy">
       <density value="1.0" units="macro"/>
-      <macroscopic name="Zircaloy"/>
+      <macroscopic name="Zircaloy_2"/>
     </material>
-    <material id="3" name="Hot_borated_water">
+    <material id="3" name="Hot borated water">
       <density value="1.0" units="macro"/>
-      <macroscopic name="Hot_borated_water"/>
+      <macroscopic name="Hot_borated_water_3"/>
     </material>
   </materials>
   <geometry>
diff --git a/tests/regression_tests/random_ray_auto_convert/stochastic_slab/inputs_true.dat b/tests/regression_tests/random_ray_auto_convert/stochastic_slab/inputs_true.dat
index 86d5ec4ab..81f8c98ca 100644
--- a/tests/regression_tests/random_ray_auto_convert/stochastic_slab/inputs_true.dat
+++ b/tests/regression_tests/random_ray_auto_convert/stochastic_slab/inputs_true.dat
@@ -2,17 +2,17 @@
 <model>
   <materials>
     <cross_sections>mgxs.h5</cross_sections>
-    <material id="1" name="UO2__2_4__" depletable="true">
+    <material id="1" name="UO2 (2.4%)" depletable="true">
       <density value="1.0" units="macro"/>
-      <macroscopic name="UO2__2_4__"/>
+      <macroscopic name="UO2__2_4___1"/>
     </material>
     <material id="2" name="Zircaloy">
       <density value="1.0" units="macro"/>
-      <macroscopic name="Zircaloy"/>
+      <macroscopic name="Zircaloy_2"/>
     </material>
-    <material id="3" name="Hot_borated_water">
+    <material id="3" name="Hot borated water">
       <density value="1.0" units="macro"/>
-      <macroscopic name="Hot_borated_water"/>
+      <macroscopic name="Hot_borated_water_3"/>
     </material>
   </materials>
   <geometry>
diff --git a/tests/regression_tests/random_ray_auto_convert_kappa_fission/infinite_medium/inputs_true.dat b/tests/regression_tests/random_ray_auto_convert_kappa_fission/infinite_medium/inputs_true.dat
index b00935ef3..48b0e8256 100644
--- a/tests/regression_tests/random_ray_auto_convert_kappa_fission/infinite_medium/inputs_true.dat
+++ b/tests/regression_tests/random_ray_auto_convert_kappa_fission/infinite_medium/inputs_true.dat
@@ -2,17 +2,17 @@
 <model>
   <materials>
     <cross_sections>mgxs.h5</cross_sections>
-    <material id="1" name="UO2__2_4__" depletable="true">
+    <material id="1" name="UO2 (2.4%)" depletable="true">
       <density value="1.0" units="macro"/>
-      <macroscopic name="UO2__2_4__"/>
+      <macroscopic name="UO2__2_4___1"/>
     </material>
     <material id="2" name="Zircaloy">
       <density value="1.0" units="macro"/>
-      <macroscopic name="Zircaloy"/>
+      <macroscopic name="Zircaloy_2"/>
     </material>
-    <material id="3" name="Hot_borated_water">
+    <material id="3" name="Hot borated water">
       <density value="1.0" units="macro"/>
-      <macroscopic name="Hot_borated_water"/>
+      <macroscopic name="Hot_borated_water_3"/>
     </material>
   </materials>
   <geometry>
diff --git a/tests/regression_tests/random_ray_auto_convert_kappa_fission/material_wise/inputs_true.dat b/tests/regression_tests/random_ray_auto_convert_kappa_fission/material_wise/inputs_true.dat
index 472406fa8..be738c3e0 100644
--- a/tests/regression_tests/random_ray_auto_convert_kappa_fission/material_wise/inputs_true.dat
+++ b/tests/regression_tests/random_ray_auto_convert_kappa_fission/material_wise/inputs_true.dat
@@ -2,17 +2,17 @@
 <model>
   <materials>
     <cross_sections>mgxs.h5</cross_sections>
-    <material id="1" name="UO2__2_4__" depletable="true">
+    <material id="1" name="UO2 (2.4%)" depletable="true">
       <density value="1.0" units="macro"/>
-      <macroscopic name="UO2__2_4__"/>
+      <macroscopic name="UO2__2_4___1"/>
     </material>
     <material id="2" name="Zircaloy">
       <density value="1.0" units="macro"/>
-      <macroscopic name="Zircaloy"/>
+      <macroscopic name="Zircaloy_2"/>
     </material>
-    <material id="3" name="Hot_borated_water">
+    <material id="3" name="Hot borated water">
       <density value="1.0" units="macro"/>
-      <macroscopic name="Hot_borated_water"/>
+      <macroscopic name="Hot_borated_water_3"/>
     </material>
   </materials>
   <geometry>
diff --git a/tests/regression_tests/random_ray_auto_convert_kappa_fission/stochastic_slab/inputs_true.dat b/tests/regression_tests/random_ray_auto_convert_kappa_fission/stochastic_slab/inputs_true.dat
index 472406fa8..be738c3e0 100644
--- a/tests/regression_tests/random_ray_auto_convert_kappa_fission/stochastic_slab/inputs_true.dat
+++ b/tests/regression_tests/random_ray_auto_convert_kappa_fission/stochastic_slab/inputs_true.dat
@@ -2,17 +2,17 @@
 <model>
   <materials>
     <cross_sections>mgxs.h5</cross_sections>
-    <material id="1" name="UO2__2_4__" depletable="true">
+    <material id="1" name="UO2 (2.4%)" depletable="true">
       <density value="1.0" units="macro"/>
-      <macroscopic name="UO2__2_4__"/>
+      <macroscopic name="UO2__2_4___1"/>
     </material>
     <material id="2" name="Zircaloy">
       <density value="1.0" units="macro"/>
-      <macroscopic name="Zircaloy"/>
+      <macroscopic name="Zircaloy_2"/>
     </material>
-    <material id="3" name="Hot_borated_water">
+    <material id="3" name="Hot borated water">
       <density value="1.0" units="macro"/>
-      <macroscopic name="Hot_borated_water"/>
+      <macroscopic name="Hot_borated_water_3"/>
     </material>
   </materials>
   <geometry>
diff --git a/tests/regression_tests/random_ray_auto_convert_source_energy/infinite_medium/model/inputs_true.dat b/tests/regression_tests/random_ray_auto_convert_source_energy/infinite_medium/model/inputs_true.dat
index 15981f7fa..d2d8289ff 100644
--- a/tests/regression_tests/random_ray_auto_convert_source_energy/infinite_medium/model/inputs_true.dat
+++ b/tests/regression_tests/random_ray_auto_convert_source_energy/infinite_medium/model/inputs_true.dat
@@ -2,17 +2,17 @@
 <model>
   <materials>
     <cross_sections>mgxs.h5</cross_sections>
-    <material id="1" name="UO2__2_4__" depletable="true">
+    <material id="1" name="UO2 (2.4%)" depletable="true">
       <density value="1.0" units="macro"/>
-      <macroscopic name="UO2__2_4__"/>
+      <macroscopic name="UO2__2_4___1"/>
     </material>
     <material id="2" name="Zircaloy">
       <density value="1.0" units="macro"/>
-      <macroscopic name="Zircaloy"/>
+      <macroscopic name="Zircaloy_2"/>
     </material>
-    <material id="3" name="Hot_borated_water">
+    <material id="3" name="Hot borated water">
       <density value="1.0" units="macro"/>
-      <macroscopic name="Hot_borated_water"/>
+      <macroscopic name="Hot_borated_water_3"/>
     </material>
   </materials>
   <geometry>
diff --git a/tests/regression_tests/random_ray_auto_convert_source_energy/infinite_medium/user/inputs_true.dat b/tests/regression_tests/random_ray_auto_convert_source_energy/infinite_medium/user/inputs_true.dat
index 86d5ec4ab..81f8c98ca 100644
--- a/tests/regression_tests/random_ray_auto_convert_source_energy/infinite_medium/user/inputs_true.dat
+++ b/tests/regression_tests/random_ray_auto_convert_source_energy/infinite_medium/user/inputs_true.dat
@@ -2,17 +2,17 @@
 <model>
   <materials>
     <cross_sections>mgxs.h5</cross_sections>
-    <material id="1" name="UO2__2_4__" depletable="true">
+    <material id="1" name="UO2 (2.4%)" depletable="true">
       <density value="1.0" units="macro"/>
-      <macroscopic name="UO2__2_4__"/>
+      <macroscopic name="UO2__2_4___1"/>
     </material>
     <material id="2" name="Zircaloy">
       <density value="1.0" units="macro"/>
-      <macroscopic name="Zircaloy"/>
+      <macroscopic name="Zircaloy_2"/>
     </material>
-    <material id="3" name="Hot_borated_water">
+    <material id="3" name="Hot borated water">
       <density value="1.0" units="macro"/>
-      <macroscopic name="Hot_borated_water"/>
+      <macroscopic name="Hot_borated_water_3"/>
     </material>
   </materials>
   <geometry>
diff --git a/tests/regression_tests/random_ray_auto_convert_source_energy/stochastic_slab/model/inputs_true.dat b/tests/regression_tests/random_ray_auto_convert_source_energy/stochastic_slab/model/inputs_true.dat
index 15981f7fa..d2d8289ff 100644
--- a/tests/regression_tests/random_ray_auto_convert_source_energy/stochastic_slab/model/inputs_true.dat
+++ b/tests/regression_tests/random_ray_auto_convert_source_energy/stochastic_slab/model/inputs_true.dat
@@ -2,17 +2,17 @@
 <model>
   <materials>
     <cross_sections>mgxs.h5</cross_sections>
-    <material id="1" name="UO2__2_4__" depletable="true">
+    <material id="1" name="UO2 (2.4%)" depletable="true">
       <density value="1.0" units="macro"/>
-      <macroscopic name="UO2__2_4__"/>
+      <macroscopic name="UO2__2_4___1"/>
     </material>
     <material id="2" name="Zircaloy">
       <density value="1.0" units="macro"/>
-      <macroscopic name="Zircaloy"/>
+      <macroscopic name="Zircaloy_2"/>
     </material>
-    <material id="3" name="Hot_borated_water">
+    <material id="3" name="Hot borated water">
       <density value="1.0" units="macro"/>
-      <macroscopic name="Hot_borated_water"/>
+      <macroscopic name="Hot_borated_water_3"/>
     </material>
   </materials>
   <geometry>
diff --git a/tests/regression_tests/random_ray_auto_convert_source_energy/stochastic_slab/user/inputs_true.dat b/tests/regression_tests/random_ray_auto_convert_source_energy/stochastic_slab/user/inputs_true.dat
index 86d5ec4ab..81f8c98ca 100644
--- a/tests/regression_tests/random_ray_auto_convert_source_energy/stochastic_slab/user/inputs_true.dat
+++ b/tests/regression_tests/random_ray_auto_convert_source_energy/stochastic_slab/user/inputs_true.dat
@@ -2,17 +2,17 @@
 <model>
   <materials>
     <cross_sections>mgxs.h5</cross_sections>
-    <material id="1" name="UO2__2_4__" depletable="true">
+    <material id="1" name="UO2 (2.4%)" depletable="true">
       <density value="1.0" units="macro"/>
-      <macroscopic name="UO2__2_4__"/>
+      <macroscopic name="UO2__2_4___1"/>
     </material>
     <material id="2" name="Zircaloy">
       <density value="1.0" units="macro"/>
-      <macroscopic name="Zircaloy"/>
+      <macroscopic name="Zircaloy_2"/>
     </material>
-    <material id="3" name="Hot_borated_water">
+    <material id="3" name="Hot borated water">
       <density value="1.0" units="macro"/>
-      <macroscopic name="Hot_borated_water"/>
+      <macroscopic name="Hot_borated_water_3"/>
     </material>
   </materials>
   <geometry>
diff --git a/tests/regression_tests/random_ray_auto_convert_temperature/infinite_medium/inputs_true.dat b/tests/regression_tests/random_ray_auto_convert_temperature/infinite_medium/inputs_true.dat
index c60e6a041..c49020d55 100644
--- a/tests/regression_tests/random_ray_auto_convert_temperature/infinite_medium/inputs_true.dat
+++ b/tests/regression_tests/random_ray_auto_convert_temperature/infinite_medium/inputs_true.dat
@@ -2,17 +2,17 @@
 <model>
   <materials>
     <cross_sections>mgxs.h5</cross_sections>
-    <material id="1" name="UO2__2_4__" depletable="true" temperature="294.0">
+    <material id="1" name="UO2 (2.4%)" depletable="true" temperature="294.0">
       <density value="1.0" units="macro"/>
-      <macroscopic name="UO2__2_4__"/>
+      <macroscopic name="UO2__2_4___1"/>
     </material>
     <material id="2" name="Zircaloy" temperature="294.0">
       <density value="1.0" units="macro"/>
-      <macroscopic name="Zircaloy"/>
+      <macroscopic name="Zircaloy_2"/>
     </material>
-    <material id="3" name="Hot_borated_water" temperature="294.0">
+    <material id="3" name="Hot borated water" temperature="294.0">
       <density value="1.0" units="macro"/>
-      <macroscopic name="Hot_borated_water"/>
+      <macroscopic name="Hot_borated_water_3"/>
     </material>
   </materials>
   <geometry>
diff --git a/tests/regression_tests/random_ray_auto_convert_temperature/material_wise/inputs_true.dat b/tests/regression_tests/random_ray_auto_convert_temperature/material_wise/inputs_true.dat
index c60e6a041..c49020d55 100644
--- a/tests/regression_tests/random_ray_auto_convert_temperature/material_wise/inputs_true.dat
+++ b/tests/regression_tests/random_ray_auto_convert_temperature/material_wise/inputs_true.dat
@@ -2,17 +2,17 @@
 <model>
   <materials>
     <cross_sections>mgxs.h5</cross_sections>
-    <material id="1" name="UO2__2_4__" depletable="true" temperature="294.0">
+    <material id="1" name="UO2 (2.4%)" depletable="true" temperature="294.0">
       <density value="1.0" units="macro"/>
-      <macroscopic name="UO2__2_4__"/>
+      <macroscopic name="UO2__2_4___1"/>
     </material>
     <material id="2" name="Zircaloy" temperature="294.0">
       <density value="1.0" units="macro"/>
-      <macroscopic name="Zircaloy"/>
+      <macroscopic name="Zircaloy_2"/>
     </material>
-    <material id="3" name="Hot_borated_water" temperature="294.0">
+    <material id="3" name="Hot borated water" temperature="294.0">
       <density value="1.0" units="macro"/>
-      <macroscopic name="Hot_borated_water"/>
+      <macroscopic name="Hot_borated_water_3"/>
     </material>
   </materials>
   <geometry>
diff --git a/tests/regression_tests/random_ray_auto_convert_temperature/stochastic_slab/inputs_true.dat b/tests/regression_tests/random_ray_auto_convert_temperature/stochastic_slab/inputs_true.dat
index c60e6a041..c49020d55 100644
--- a/tests/regression_tests/random_ray_auto_convert_temperature/stochastic_slab/inputs_true.dat
+++ b/tests/regression_tests/random_ray_auto_convert_temperature/stochastic_slab/inputs_true.dat
@@ -2,17 +2,17 @@
 <model>
   <materials>
     <cross_sections>mgxs.h5</cross_sections>
-    <material id="1" name="UO2__2_4__" depletable="true" temperature="294.0">
+    <material id="1" name="UO2 (2.4%)" depletable="true" temperature="294.0">
       <density value="1.0" units="macro"/>
-      <macroscopic name="UO2__2_4__"/>
+      <macroscopic name="UO2__2_4___1"/>
     </material>
     <material id="2" name="Zircaloy" temperature="294.0">
       <density value="1.0" units="macro"/>
-      <macroscopic name="Zircaloy"/>
+      <macroscopic name="Zircaloy_2"/>
     </material>
-    <material id="3" name="Hot_borated_water" temperature="294.0">
+    <material id="3" name="Hot borated water" temperature="294.0">
       <density value="1.0" units="macro"/>
-      <macroscopic name="Hot_borated_water"/>
+      <macroscopic name="Hot_borated_water_3"/>
     </material>
   </materials>
   <geometry>
diff --git a/tests/regression_tests/random_ray_diagonal_stabilization/inputs_true.dat b/tests/regression_tests/random_ray_diagonal_stabilization/inputs_true.dat
index 11100e88e..0ea8c0177 100644
--- a/tests/regression_tests/random_ray_diagonal_stabilization/inputs_true.dat
+++ b/tests/regression_tests/random_ray_diagonal_stabilization/inputs_true.dat
@@ -2,17 +2,17 @@
 <model>
   <materials>
     <cross_sections>mgxs.h5</cross_sections>
-    <material id="1" name="UO2__2_4__" depletable="true">
+    <material id="1" name="UO2 (2.4%)" depletable="true">
       <density value="1.0" units="macro"/>
-      <macroscopic name="UO2__2_4__"/>
+      <macroscopic name="UO2__2_4___1"/>
     </material>
     <material id="2" name="Zircaloy">
       <density value="1.0" units="macro"/>
-      <macroscopic name="Zircaloy"/>
+      <macroscopic name="Zircaloy_2"/>
     </material>
-    <material id="3" name="Hot_borated_water">
+    <material id="3" name="Hot borated water">
       <density value="1.0" units="macro"/>
-      <macroscopic name="Hot_borated_water"/>
+      <macroscopic name="Hot_borated_water_3"/>
     </material>
   </materials>
   <geometry>
diff --git a/tests/unit_tests/test_model.py b/tests/unit_tests/test_model.py
index 9234b2d27..028a83b0b 100644
--- a/tests/unit_tests/test_model.py
+++ b/tests/unit_tests/test_model.py
@@ -1038,3 +1038,32 @@ def test_id_map_to_rgb():
     )
     # Check that overlap region is green
     assert np.allclose(rgb_overlap[5:, 5:], [0.0, 1.0, 0.0])
+
+
+def test_convert_to_multigroup_preserves_material_names(run_in_tmpdir):
+    """convert_to_multigroup leaves the user's material names unchanged and keys
+    the MGXS library by a unique sanitised name + id, so distinct materials that
+    share a name do not collapse to a single cross section."""
+    a = openmc.Material(name="Steel Plate #1")
+    a.add_element("Fe", 1.0)
+    a.set_density("g/cm3", 7.9)
+    b = openmc.Material(name="Steel Plate #1")  # same name, distinct material
+    b.add_element("Fe", 1.0)
+    b.set_density("g/cm3", 7.9)
+
+    s1 = openmc.Sphere(r=1.0)
+    s2 = openmc.Sphere(r=2.0, boundary_type="vacuum")
+    c1 = openmc.Cell(fill=a, region=-s1)
+    c2 = openmc.Cell(fill=b, region=+s1 & -s2)
+    model = openmc.Model(openmc.Geometry([c1, c2]), openmc.Materials([a, b]))
+
+    # Pre-create the library so MGXS generation (and transport) is skipped.
+    Path("mgxs.h5").touch()
+    model.convert_to_multigroup(method="material_wise", mgxs_path="mgxs.h5")
+
+    # User names are preserved, not sanitised or de-duplicated.
+    assert [m.name for m in model.materials] == ["Steel Plate #1", "Steel Plate #1"]
+    # Each material reads a unique, sanitised library entry (name + id).
+    macro = [m._macroscopic for m in model.materials]
+    assert macro == [f"Steel_Plate__1_{a.id}", f"Steel_Plate__1_{b.id}"]
+    assert len(set(macro)) == 2

From f01852411dcb12ade9b0c2493555303e0227f25b Mon Sep 17 00:00:00 2001
From: John Tramm <john.tramm@gmail.com>
Date: Wed, 1 Jul 2026 15:35:27 -0500
Subject: [PATCH 2625/2654] Random Ray Forward Flux Save in Adjoint Mode
 (#3962)

Co-authored-by: Claude Opus 4.8 (1M context) <noreply@anthropic.com>
---
 docs/source/usersguide/random_ray.rst         | 13 ++-
 include/openmc/constants.h                    |  1 +
 .../openmc/random_ray/flat_source_domain.h    |  5 +-
 .../openmc/random_ray/random_ray_simulation.h |  2 +-
 src/output.cpp                                |  9 +-
 src/random_ray/flat_source_domain.cpp         | 18 ++--
 src/random_ray/random_ray_simulation.cpp      | 87 ++++++++-----------
 src/settings.cpp                              |  2 +-
 src/simulation.cpp                            | 10 ++-
 src/state_point.cpp                           | 11 ++-
 src/weight_windows.cpp                        |  4 +-
 tests/testing_harness.py                      |  3 +-
 12 files changed, 95 insertions(+), 70 deletions(-)

diff --git a/docs/source/usersguide/random_ray.rst b/docs/source/usersguide/random_ray.rst
index d35aff83b..06d4e50ed 100644
--- a/docs/source/usersguide/random_ray.rst
+++ b/docs/source/usersguide/random_ray.rst
@@ -1105,10 +1105,15 @@ external source is present in the problem. Simulation settings (e.g., number of
 rays, batches, etc.) will be identical for both calculations. At the 
 conclusion of the run, all results (e.g., tallies, plots, etc.) will be 
 derived from the adjoint flux rather than the forward flux but are not labeled 
-any differently. The initial forward flux solution will not be stored or 
-available in the final statepoint file. Those wishing to do analysis requiring 
-both the forward and adjoint solutions will need to run two separate 
-simulations and load both statepoint files.
+any differently. When an initial forward solve is performed (i.e., when no
+user-specified adjoint source is present), its output files are also written to
+disk with a ``forward`` infix, so they are not overwritten by the subsequent
+adjoint solve. This applies to the statepoint, ``tallies.out``, and any voxel
+plots, e.g., ``statepoint.forward.N.h5`` and ``tallies.forward.out``; the
+adjoint solve keeps the usual file names. This allows analyses requiring both
+the forward and adjoint solutions to be performed from a single run. When
+generating FW-CADIS weight windows, no weight window file is written for the
+forward solve, as only the final adjoint-derived weight windows are meaningful.
 
 .. note::
     Use of the automated 
diff --git a/include/openmc/constants.h b/include/openmc/constants.h
index 7baed25c5..26b4a224c 100644
--- a/include/openmc/constants.h
+++ b/include/openmc/constants.h
@@ -368,6 +368,7 @@ enum class SolverType { MONTE_CARLO, RANDOM_RAY };
 enum class RandomRayVolumeEstimator { NAIVE, SIMULATION_AVERAGED, HYBRID };
 enum class RandomRaySourceShape { FLAT, LINEAR, LINEAR_XY };
 enum class RandomRaySampleMethod { PRNG, HALTON, S2 };
+enum class RandomRaySolve { FORWARD, FORWARD_FOR_ADJOINT, ADJOINT };
 
 //==============================================================================
 // Geometry Constants
diff --git a/include/openmc/random_ray/flat_source_domain.h b/include/openmc/random_ray/flat_source_domain.h
index 6f51af34d..09414fd44 100644
--- a/include/openmc/random_ray/flat_source_domain.h
+++ b/include/openmc/random_ray/flat_source_domain.h
@@ -76,7 +76,10 @@ public:
   //----------------------------------------------------------------------------
   // Static Data members
   static bool volume_normalized_flux_tallies_;
-  static bool adjoint_; // If the user wants outputs based on the adjoint flux
+  // If the user wants outputs based on the adjoint flux
+  static bool adjoint_requested_;
+  // The solve currently being executed
+  static RandomRaySolve solve_;
   static bool fw_cadis_local_;
   static double
     diagonal_stabilization_rho_; // Adjusts strength of diagonal stabilization
diff --git a/include/openmc/random_ray/random_ray_simulation.h b/include/openmc/random_ray/random_ray_simulation.h
index ccd2cbe47..e186c549f 100644
--- a/include/openmc/random_ray/random_ray_simulation.h
+++ b/include/openmc/random_ray/random_ray_simulation.h
@@ -22,7 +22,7 @@ public:
   void apply_fixed_sources_and_mesh_domains();
   void prepare_fw_fixed_sources_adjoint();
   void prepare_local_fixed_sources_adjoint();
-  void prepare_adjoint_simulation(bool fw_adjoint);
+  void prepare_adjoint_simulation(bool from_forward);
   void simulate();
   void output_simulation_results() const;
   void instability_check(
diff --git a/src/output.cpp b/src/output.cpp
index 725e8d069..04a8caa60 100644
--- a/src/output.cpp
+++ b/src/output.cpp
@@ -621,8 +621,15 @@ void write_tallies()
   if (model::tallies.empty())
     return;
 
+  // Tag tallies.out written during the forward solve of an adjoint run
+  const char* forward =
+    (FlatSourceDomain::solve_ == RandomRaySolve::FORWARD_FOR_ADJOINT)
+      ? "forward."
+      : "";
+
   // Set filename for tallies_out
-  std::string filename = fmt::format("{}tallies.out", settings::path_output);
+  std::string filename =
+    fmt::format("{}tallies.{}out", settings::path_output, forward);
 
   // Open the tallies.out file.
   std::ofstream tallies_out;
diff --git a/src/random_ray/flat_source_domain.cpp b/src/random_ray/flat_source_domain.cpp
index 06c6ef14d..895e0663e 100644
--- a/src/random_ray/flat_source_domain.cpp
+++ b/src/random_ray/flat_source_domain.cpp
@@ -30,7 +30,8 @@ namespace openmc {
 RandomRayVolumeEstimator FlatSourceDomain::volume_estimator_ {
   RandomRayVolumeEstimator::HYBRID};
 bool FlatSourceDomain::volume_normalized_flux_tallies_ {false};
-bool FlatSourceDomain::adjoint_ {false};
+bool FlatSourceDomain::adjoint_requested_ {false};
+RandomRaySolve FlatSourceDomain::solve_ {RandomRaySolve::FORWARD};
 bool FlatSourceDomain::fw_cadis_local_ {false};
 double FlatSourceDomain::diagonal_stabilization_rho_ {1.0};
 std::unordered_map<int, vector<std::pair<Source::DomainType, int>>>
@@ -556,7 +557,7 @@ double FlatSourceDomain::compute_fixed_source_normalization_factor() const
   // If we are in adjoint mode of a fixed source problem, the external
   // source is already normalized, such that all resulting fluxes are
   // also normalized.
-  if (adjoint_) {
+  if (solve_ == RandomRaySolve::ADJOINT) {
     return 1.0;
   }
 
@@ -795,6 +796,12 @@ void FlatSourceDomain::output_to_vtk() const
     double z_delta = width.z / Nz;
     std::string filename = openmc_plot->path_plot();
 
+    // Tag plots written during the forward solve of an adjoint run
+    if (solve_ == RandomRaySolve::FORWARD_FOR_ADJOINT) {
+      auto dot = filename.find_last_of('.');
+      filename = filename.substr(0, dot) + ".forward" + filename.substr(dot);
+    }
+
     // Perform sanity checks on file size
     uint64_t bytes = Nx * Ny * Nz * (negroups_ + 1 + 1 + 1) * sizeof(float);
     write_message(5, "Processing plot {}: {}... (Estimated size is {} MB)",
@@ -1002,9 +1009,10 @@ void FlatSourceDomain::output_to_vtk() const
 void FlatSourceDomain::apply_external_source_to_source_region(
   int src_idx, SourceRegionHandle& srh)
 {
-  auto s = (adjoint_ && !model::adjoint_sources.empty())
-             ? model::adjoint_sources[src_idx].get()
-             : model::external_sources[src_idx].get();
+  auto s =
+    (solve_ == RandomRaySolve::ADJOINT && !model::adjoint_sources.empty())
+      ? model::adjoint_sources[src_idx].get()
+      : model::external_sources[src_idx].get();
   auto is = dynamic_cast<IndependentSource*>(s);
   auto discrete = dynamic_cast<Discrete*>(is->energy());
   double strength_factor = is->strength();
diff --git a/src/random_ray/random_ray_simulation.cpp b/src/random_ray/random_ray_simulation.cpp
index 24650afb8..00fff99a7 100644
--- a/src/random_ray/random_ray_simulation.cpp
+++ b/src/random_ray/random_ray_simulation.cpp
@@ -189,7 +189,7 @@ void validate_random_ray_inputs()
 
   // Validate adjoint sources
   ///////////////////////////////////////////////////////////////////
-  if (FlatSourceDomain::adjoint_ && !model::adjoint_sources.empty()) {
+  if (FlatSourceDomain::adjoint_requested_ && !model::adjoint_sources.empty()) {
     for (int i = 0; i < model::adjoint_sources.size(); i++) {
       Source* s = model::adjoint_sources[i].get();
 
@@ -289,7 +289,8 @@ void openmc_finalize_random_ray()
 {
   FlatSourceDomain::volume_estimator_ = RandomRayVolumeEstimator::HYBRID;
   FlatSourceDomain::volume_normalized_flux_tallies_ = false;
-  FlatSourceDomain::adjoint_ = false;
+  FlatSourceDomain::adjoint_requested_ = false;
+  FlatSourceDomain::solve_ = RandomRaySolve::FORWARD;
   FlatSourceDomain::fw_cadis_local_ = false;
   FlatSourceDomain::fw_cadis_local_targets_.clear();
   FlatSourceDomain::mesh_domain_map_.clear();
@@ -356,19 +357,17 @@ void RandomRaySimulation::prepare_local_fixed_sources_adjoint()
   }
 }
 
-void RandomRaySimulation::prepare_adjoint_simulation(bool fw_adjoint)
+void RandomRaySimulation::prepare_adjoint_simulation(bool from_forward)
 {
   reset_timers();
 
   if (mpi::master)
     header("ADJOINT FLUX SOLVE", 3);
 
-  if (fw_adjoint) {
-    // Forward simulation has already been run;
-    // Configure the domain for adjoint simulation and
-    // re-initialize OpenMC general data structures
-    FlatSourceDomain::adjoint_ = true;
-
+  if (from_forward) {
+    // The forward solve has already run. Re-initialize OpenMC's general data
+    // structures for the adjoint solve and derive the adjoint source from the
+    // forward flux.
     openmc_simulation_init();
 
     prepare_fw_fixed_sources_adjoint();
@@ -603,7 +602,8 @@ void RandomRaySimulation::print_results_random_ray(
     }
     fmt::print(" Volume Estimator Type             = {}\n", estimator);
 
-    std::string adjoint_true = (FlatSourceDomain::adjoint_) ? "ON" : "OFF";
+    std::string adjoint_true =
+      (FlatSourceDomain::solve_ == RandomRaySolve::ADJOINT) ? "ON" : "OFF";
     fmt::print(" Adjoint Flux Mode                 = {}\n", adjoint_true);
 
     std::string shape;
@@ -675,60 +675,49 @@ void RandomRaySimulation::print_results_random_ray(
 
 void openmc_run_random_ray()
 {
-  //////////////////////////////////////////////////////////
-  // Run forward simulation
-  //////////////////////////////////////////////////////////
+  using namespace openmc;
 
-  // Check if adjoint calculation is needed, and if local adjoint source(s)
-  // are present. If an adjoint calculation is needed and no sources are
-  // specified, we will run a forward calculation first to calculate adjoint
-  // sources for global variance reduction, then perform an adjoint
-  // calculation later.
-  bool adjoint_needed = openmc::FlatSourceDomain::adjoint_;
-  bool fw_adjoint = openmc::model::adjoint_sources.empty() && adjoint_needed;
+  // Determine which solves to run. If adjoint results are requested and no
+  // user-defined adjoint source is present, an initial forward solve is needed
+  // to construct the adjoint source from the forward flux (FW-CADIS). If the
+  // user has defined an adjoint source, the forward solve is skipped and only
+  // the adjoint solve is run.
+  const bool run_adjoint = FlatSourceDomain::adjoint_requested_;
+  const bool have_adjoint_source = !model::adjoint_sources.empty();
+  const bool run_forward = !(run_adjoint && have_adjoint_source);
 
-  // If we're going to do an adjoint simulation with forward-weighted adjoint
-  // sources afterwards, report that this is the initial forward flux solve.
-  if (!adjoint_needed || fw_adjoint) {
-    // Configure the domain for forward simulation
-    openmc::FlatSourceDomain::adjoint_ = false;
-
-    if (adjoint_needed && openmc::mpi::master)
-      openmc::header("FORWARD FLUX SOLVE", 3);
+  // Set the initial solve type
+  if (!run_forward) {
+    FlatSourceDomain::solve_ = RandomRaySolve::ADJOINT;
+  } else if (run_adjoint) {
+    FlatSourceDomain::solve_ = RandomRaySolve::FORWARD_FOR_ADJOINT;
   } else {
-    // Configure domain for adjoint simulation (later)
-    openmc::FlatSourceDomain::adjoint_ = true;
+    FlatSourceDomain::solve_ = RandomRaySolve::FORWARD;
   }
 
   // Initialize OpenMC general data structures
   openmc_simulation_init();
 
   // Validate that inputs meet requirements for random ray mode
-  if (openmc::mpi::master)
-    openmc::validate_random_ray_inputs();
+  if (mpi::master)
+    validate_random_ray_inputs();
 
   // Initialize Random Ray Simulation Object
-  openmc::RandomRaySimulation sim;
+  RandomRaySimulation sim;
 
-  if (!adjoint_needed || fw_adjoint) {
-    // Initialize fixed sources, if present
+  // Run the forward solve
+  if (run_forward) {
+    // When an adjoint solve follows, report this as the initial forward solve
+    if (run_adjoint && mpi::master)
+      header("FORWARD FLUX SOLVE", 3);
     sim.apply_fixed_sources_and_mesh_domains();
-
-    // Execute random ray simulation
     sim.simulate();
   }
 
-  //////////////////////////////////////////////////////////
-  // Run adjoint simulation (if enabled)
-  //////////////////////////////////////////////////////////
-
-  if (!adjoint_needed) {
-    return;
+  // Run the adjoint solve
+  if (run_adjoint) {
+    FlatSourceDomain::solve_ = RandomRaySolve::ADJOINT;
+    sim.prepare_adjoint_simulation(run_forward);
+    sim.simulate();
   }
-
-  // Setup for adjoint simulation
-  sim.prepare_adjoint_simulation(fw_adjoint);
-
-  // Execute random ray simulation
-  sim.simulate();
 }
diff --git a/src/settings.cpp b/src/settings.cpp
index 8ae252ae1..58bced940 100644
--- a/src/settings.cpp
+++ b/src/settings.cpp
@@ -322,7 +322,7 @@ void get_run_parameters(pugi::xml_node node_base)
         get_node_value_bool(random_ray_node, "volume_normalized_flux_tallies");
     }
     if (check_for_node(random_ray_node, "adjoint")) {
-      FlatSourceDomain::adjoint_ =
+      FlatSourceDomain::adjoint_requested_ =
         get_node_value_bool(random_ray_node, "adjoint");
     }
     if (check_for_node(random_ray_node, "sample_method")) {
diff --git a/src/simulation.cpp b/src/simulation.cpp
index 89aa9ca0e..900a383ab 100644
--- a/src/simulation.cpp
+++ b/src/simulation.cpp
@@ -16,6 +16,7 @@
 #include "openmc/particle.h"
 #include "openmc/photon.h"
 #include "openmc/random_lcg.h"
+#include "openmc/random_ray/flat_source_domain.h"
 #include "openmc/settings.h"
 #include "openmc/source.h"
 #include "openmc/state_point.h"
@@ -200,9 +201,12 @@ int openmc_simulation_finalize()
   if (settings::output_tallies && mpi::master)
     write_tallies();
 
-  // If weight window generators are present in this simulation,
-  // write a weight windows file
-  if (variance_reduction::weight_windows_generators.size() > 0) {
+  // If weight window generators are present in this simulation, write a
+  // weight windows file. This is skipped during the forward solve of an
+  // adjoint (FW-CADIS) run, where only the adjoint-derived weight windows
+  // are meaningful.
+  if (variance_reduction::weight_windows_generators.size() > 0 &&
+      FlatSourceDomain::solve_ != RandomRaySolve::FORWARD_FOR_ADJOINT) {
     openmc_weight_windows_export();
   }
 
diff --git a/src/state_point.cpp b/src/state_point.cpp
index da1c141a2..02c68bf60 100644
--- a/src/state_point.cpp
+++ b/src/state_point.cpp
@@ -22,6 +22,7 @@
 #include "openmc/nuclide.h"
 #include "openmc/output.h"
 #include "openmc/particle_type.h"
+#include "openmc/random_ray/flat_source_domain.h"
 #include "openmc/settings.h"
 #include "openmc/simulation.h"
 #include "openmc/tallies/derivative.h"
@@ -46,9 +47,15 @@ extern "C" int openmc_statepoint_write(const char* filename, bool* write_source)
     // Determine width for zero padding
     int w = std::to_string(settings::n_max_batches).size();
 
+    // Tag statepoints written during the forward solve of an adjoint run
+    const char* forward =
+      (FlatSourceDomain::solve_ == RandomRaySolve::FORWARD_FOR_ADJOINT)
+        ? "forward."
+        : "";
+
     // Set filename for state point
-    filename_ = fmt::format("{0}statepoint.{1:0{2}}.h5", settings::path_output,
-      simulation::current_batch, w);
+    filename_ = fmt::format("{0}statepoint.{3}{1:0{2}}.h5",
+      settings::path_output, simulation::current_batch, w, forward);
   }
 
   // If a file name was specified, ensure it has .h5 file extension
diff --git a/src/weight_windows.cpp b/src/weight_windows.cpp
index 0614110cd..39e46026c 100644
--- a/src/weight_windows.cpp
+++ b/src/weight_windows.cpp
@@ -791,7 +791,7 @@ WeightWindowsGenerator::WeightWindowsGenerator(pugi::xml_node node)
   if (method_string == "magic") {
     method_ = WeightWindowUpdateMethod::MAGIC;
     if (settings::solver_type == SolverType::RANDOM_RAY &&
-        FlatSourceDomain::adjoint_) {
+        FlatSourceDomain::adjoint_requested_) {
       fatal_error("Random ray weight window generation with MAGIC cannot be "
                   "done in adjoint mode.");
     }
@@ -800,7 +800,7 @@ WeightWindowsGenerator::WeightWindowsGenerator(pugi::xml_node node)
     if (settings::solver_type != SolverType::RANDOM_RAY) {
       fatal_error("FW-CADIS can only be run in random ray solver mode.");
     }
-    FlatSourceDomain::adjoint_ = true;
+    FlatSourceDomain::adjoint_requested_ = true;
     if (check_for_node(node, "targets")) {
       FlatSourceDomain::fw_cadis_local_ = true;
       targets_ = get_node_array<size_t>(node, "targets");
diff --git a/tests/testing_harness.py b/tests/testing_harness.py
index 8d156bd64..c1977556d 100644
--- a/tests/testing_harness.py
+++ b/tests/testing_harness.py
@@ -143,7 +143,8 @@ class TestHarness:
     def _cleanup(self):
         """Delete statepoints, tally, and test files."""
         output = glob.glob('statepoint.*.h5')
-        output += ['tallies.out', 'results_test.dat', 'summary.h5']
+        output += ['tallies.out', 'tallies.forward.out']
+        output += ['results_test.dat', 'summary.h5']
         output += glob.glob('volume_*.h5')
         for f in output:
             if os.path.exists(f):

From 24fdb84edccb1bd4fe59c35fb082dab74ed982ec Mon Sep 17 00:00:00 2001
From: John Tramm <john.tramm@gmail.com>
Date: Thu, 2 Jul 2026 11:53:49 -0500
Subject: [PATCH 2626/2654] Tally 32-bit Overflow Fix (#3960)

Co-authored-by: Claude Opus 4.8 (1M context) <noreply@anthropic.com>
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 include/openmc/random_ray/source_region.h |  6 ++---
 include/openmc/tallies/tally.h            |  8 +++----
 include/openmc/tallies/tally_scoring.h    |  2 +-
 src/mesh.cpp                              | 22 ++++++++++++++----
 src/random_ray/flat_source_domain.cpp     |  2 +-
 src/tallies/tally.cpp                     |  6 ++---
 src/tallies/tally_scoring.cpp             | 18 +++++++--------
 src/tallies/trigger.cpp                   |  4 ++--
 tests/cpp_unit_tests/test_tally.cpp       | 27 ++++++++++++++++++++++-
 9 files changed, 67 insertions(+), 28 deletions(-)

diff --git a/include/openmc/random_ray/source_region.h b/include/openmc/random_ray/source_region.h
index 65f2e6bc4..1d2bbe1e8 100644
--- a/include/openmc/random_ray/source_region.h
+++ b/include/openmc/random_ray/source_region.h
@@ -51,10 +51,10 @@ inline void hash_combine(size_t& seed, const size_t v)
 // every iteration.
 struct TallyTask {
   int tally_idx;
-  int filter_idx;
+  int64_t filter_idx;
   int score_idx;
   int score_type;
-  TallyTask(int tally_idx, int filter_idx, int score_idx, int score_type)
+  TallyTask(int tally_idx, int64_t filter_idx, int score_idx, int score_type)
     : tally_idx(tally_idx), filter_idx(filter_idx), score_idx(score_idx),
       score_type(score_type)
   {}
@@ -690,7 +690,7 @@ private:
   // Private Methods
 
   // Helper function for indexing
-  inline int index(int64_t sr, int g) const { return sr * negroups_ + g; }
+  inline int64_t index(int64_t sr, int g) const { return sr * negroups_ + g; }
 };
 
 } // namespace openmc
diff --git a/include/openmc/tallies/tally.h b/include/openmc/tallies/tally.h
index 66e6ff764..ae604b732 100644
--- a/include/openmc/tallies/tally.h
+++ b/include/openmc/tallies/tally.h
@@ -97,9 +97,9 @@ public:
   //! Given already-set filters, set the stride lengths
   void set_strides();
 
-  int32_t strides(int i) const { return strides_[i]; }
+  int64_t strides(int i) const { return strides_[i]; }
 
-  int32_t n_filter_bins() const { return n_filter_bins_; }
+  int64_t n_filter_bins() const { return n_filter_bins_; }
 
   bool multiply_density() const { return multiply_density_; }
 
@@ -184,9 +184,9 @@ private:
   vector<int32_t> filters_; //!< Filter indices in global filters array
 
   //! Index strides assigned to each filter to support 1D indexing.
-  vector<int32_t> strides_;
+  vector<int64_t> strides_;
 
-  int32_t n_filter_bins_ {0};
+  int64_t n_filter_bins_ {0};
 
   //! Whether to multiply by atom density for reaction rates
   bool multiply_density_ {true};
diff --git a/include/openmc/tallies/tally_scoring.h b/include/openmc/tallies/tally_scoring.h
index d1aed2831..4303ddb7a 100644
--- a/include/openmc/tallies/tally_scoring.h
+++ b/include/openmc/tallies/tally_scoring.h
@@ -41,7 +41,7 @@ public:
 
   FilterBinIter& operator++();
 
-  int index_ {1};
+  int64_t index_ {1};
   double weight_ {1.};
 
   vector<FilterMatch>& filter_matches_;
diff --git a/src/mesh.cpp b/src/mesh.cpp
index 181af8466..89d1ff24b 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -6,7 +6,8 @@
 #define _USE_MATH_DEFINES // to make M_PI declared in Intel and MSVC compilers
 #include <cmath>          // for ceil
 #include <cstddef>        // for size_t
-#include <numeric>        // for accumulate
+#include <limits>
+#include <numeric> // for accumulate
 #include <string>
 
 #ifdef _MSC_VER
@@ -1080,13 +1081,26 @@ int StructuredMesh::get_bin(Position r) const
 
 int StructuredMesh::n_bins() const
 {
-  return std::accumulate(
-    shape_.begin(), shape_.begin() + n_dimension_, 1, std::multiplies<>());
+  // Bin indices are stored as 32-bit ints in the tally system.
+  int64_t n = 1;
+  for (int i = 0; i < n_dimension_; ++i)
+    n *= shape_[i];
+  if (n > std::numeric_limits<int>::max()) {
+    fatal_error(fmt::format(
+      "Mesh {} has too many bins ({}) for 32-bit tally indexing", id_, n));
+  }
+  return static_cast<int>(n);
 }
 
 int StructuredMesh::n_surface_bins() const
 {
-  return 4 * n_dimension_ * n_bins();
+  // Surface bin indices are stored as 32-bit ints in the tally system.
+  int64_t n = static_cast<int64_t>(n_bins()) * 4 * n_dimension_;
+  if (n > std::numeric_limits<int>::max()) {
+    fatal_error(fmt::format(
+      "Mesh {} has too many surface bins ({}) for tally indexing", id_, n));
+  }
+  return static_cast<int>(n);
 }
 
 tensor::Tensor<double> StructuredMesh::count_sites(
diff --git a/src/random_ray/flat_source_domain.cpp b/src/random_ray/flat_source_domain.cpp
index 895e0663e..83128fdaa 100644
--- a/src/random_ray/flat_source_domain.cpp
+++ b/src/random_ray/flat_source_domain.cpp
@@ -725,7 +725,7 @@ void FlatSourceDomain::random_ray_tally()
     for (int i = 0; i < model::tallies.size(); i++) {
       Tally& tally {*model::tallies[i]};
 #pragma omp parallel for
-      for (int bin = 0; bin < tally.n_filter_bins(); bin++) {
+      for (int64_t bin = 0; bin < tally.n_filter_bins(); bin++) {
         for (int score_idx = 0; score_idx < tally.n_scores(); score_idx++) {
           auto score_type = tally.scores_[score_idx];
           if (score_type == SCORE_FLUX) {
diff --git a/src/tallies/tally.cpp b/src/tallies/tally.cpp
index e4ea56e59..085633247 100644
--- a/src/tallies/tally.cpp
+++ b/src/tallies/tally.cpp
@@ -512,7 +512,7 @@ void Tally::set_strides()
   // longest stride.
   auto n = filters_.size();
   strides_.resize(n, 0);
-  int stride = 1;
+  int64_t stride = 1;
   for (int i = n - 1; i >= 0; --i) {
     strides_[i] = stride;
     stride *= model::tally_filters[filters_[i]]->n_bins();
@@ -887,7 +887,7 @@ void Tally::accumulate()
     if (higher_moments_) {
 #pragma omp parallel for
       // filter bins (specific cell, energy bins)
-      for (int i = 0; i < results_.shape(0); ++i) {
+      for (int64_t i = 0; i < results_.shape(0); ++i) {
         // score bins (flux, total reaction rate, fission reaction rate, etc.)
         for (int j = 0; j < results_.shape(1); ++j) {
           double val = results_(i, j, TallyResult::VALUE) * norm;
@@ -902,7 +902,7 @@ void Tally::accumulate()
     } else {
 #pragma omp parallel for
       // filter bins (specific cell, energy bins)
-      for (int i = 0; i < results_.shape(0); ++i) {
+      for (int64_t i = 0; i < results_.shape(0); ++i) {
         // score bins (flux, total reaction rate, fission reaction rate, etc.)
         for (int j = 0; j < results_.shape(1); ++j) {
           double val = results_(i, j, TallyResult::VALUE) * norm;
diff --git a/src/tallies/tally_scoring.cpp b/src/tallies/tally_scoring.cpp
index b7947afab..7bce6ec13 100644
--- a/src/tallies/tally_scoring.cpp
+++ b/src/tallies/tally_scoring.cpp
@@ -158,7 +158,7 @@ void score_fission_delayed_dg(int i_tally, int d_bin, double score,
   dg_match.bins_[i_bin] = d_bin;
 
   // Determine the filter scoring index
-  auto filter_index = 0;
+  int64_t filter_index = 0;
   double filter_weight = 1.;
   for (auto i = 0; i < tally.filters().size(); ++i) {
     auto i_filt = tally.filters(i);
@@ -449,7 +449,7 @@ void score_fission_eout(Particle& p, int i_tally, int i_score, int score_bin)
         (score_bin == SCORE_PROMPT_NU_FISSION && g == 0)) {
 
       // Find the filter scoring index for this filter combination
-      int filter_index = 0;
+      int64_t filter_index = 0;
       double filter_weight = 1.0;
       for (auto j = 0; j < tally.filters().size(); ++j) {
         auto i_filt = tally.filters(j);
@@ -497,7 +497,7 @@ void score_fission_eout(Particle& p, int i_tally, int i_score, int score_bin)
       } else {
 
         // Find the filter index and weight for this filter combination
-        int filter_index = 0;
+        int64_t filter_index = 0;
         double filter_weight = 1.;
         for (auto j = 0; j < tally.filters().size(); ++j) {
           auto i_filt = tally.filters(j);
@@ -578,8 +578,8 @@ double get_nuclide_xs(const Particle& p, int i_nuclide, int score_bin)
 //! collision estimator.
 
 void score_general_ce_nonanalog(Particle& p, int i_tally, int start_index,
-  int filter_index, double filter_weight, int i_nuclide, double atom_density,
-  double flux)
+  int64_t filter_index, double filter_weight, int i_nuclide,
+  double atom_density, double flux)
 {
   Tally& tally {*model::tallies[i_tally]};
 
@@ -1112,8 +1112,8 @@ void score_general_ce_nonanalog(Particle& p, int i_tally, int start_index,
 //! is not used for analog tallies.
 
 void score_general_ce_analog(Particle& p, int i_tally, int start_index,
-  int filter_index, double filter_weight, int i_nuclide, double atom_density,
-  double flux)
+  int64_t filter_index, double filter_weight, int i_nuclide,
+  double atom_density, double flux)
 {
   Tally& tally {*model::tallies[i_tally]};
 
@@ -1615,8 +1615,8 @@ void score_general_ce_analog(Particle& p, int i_tally, int start_index,
 //! argument is really just used for filter weights.
 
 void score_general_mg(Particle& p, int i_tally, int start_index,
-  int filter_index, double filter_weight, int i_nuclide, double atom_density,
-  double flux)
+  int64_t filter_index, double filter_weight, int i_nuclide,
+  double atom_density, double flux)
 {
   auto& tally {*model::tallies[i_tally]};
 
diff --git a/src/tallies/trigger.cpp b/src/tallies/trigger.cpp
index 6c54edd5e..7515f01a9 100644
--- a/src/tallies/trigger.cpp
+++ b/src/tallies/trigger.cpp
@@ -28,7 +28,7 @@ KTrigger keff_trigger;
 //==============================================================================
 
 std::pair<double, double> get_tally_uncertainty(
-  int i_tally, int score_index, int filter_index)
+  int i_tally, int score_index, int64_t filter_index)
 {
   const auto& tally {model::tallies[i_tally]};
 
@@ -71,7 +71,7 @@ void check_tally_triggers(double& ratio, int& tally_id, int& score)
         continue;
 
       const auto& results = t.results_;
-      for (auto filter_index = 0; filter_index < results.shape(0);
+      for (int64_t filter_index = 0; filter_index < results.shape(0);
            ++filter_index) {
         // Compute the tally uncertainty metrics.
         auto uncert_pair =
diff --git a/tests/cpp_unit_tests/test_tally.cpp b/tests/cpp_unit_tests/test_tally.cpp
index 964d30cc4..03322e764 100644
--- a/tests/cpp_unit_tests/test_tally.cpp
+++ b/tests/cpp_unit_tests/test_tally.cpp
@@ -1,3 +1,4 @@
+#include "openmc/tallies/filter_energy.h"
 #include "openmc/tallies/tally.h"
 #include <catch2/catch_test_macros.hpp>
 
@@ -46,10 +47,34 @@ TEST_CASE("Test add/set_filter")
   REQUIRE(model::filter_map[cell_filter->id()] == tally->filters(0));
   REQUIRE(model::filter_map[particle_filter->id()] == tally->filters(1));
 
-  // set filters with a duplicate filter, should only add the filter to the tally once
+  // set filters with a duplicate filter, should only add the filter to the
+  // tally once
   filters = {cell_filter, cell_filter};
   tally->set_filters(filters);
   REQUIRE(tally->filters().size() == 1);
   REQUIRE(model::filter_map[cell_filter->id()] == tally->filters(0));
+}
 
+// Regression test for 64-bit tally filter-bin counts (mesh x groups > 2^31).
+TEST_CASE("Tally filter-bin count does not overflow 32 bits")
+{
+  // Two energy filters whose bin counts multiply to 2.5e9, above INT32_MAX.
+  constexpr int64_t bins_per_filter = 50000;
+
+  // Only the bin count matters here, so the edge values are an arbitrary ramp.
+  std::vector<double> edges(bins_per_filter + 1);
+  for (int64_t i = 0; i < bins_per_filter + 1; ++i)
+    edges[i] = static_cast<double>(i);
+
+  Tally* tally = Tally::create();
+  for (int i = 0; i < 2; ++i) {
+    Filter* filter = Filter::create("energy");
+    dynamic_cast<EnergyFilter*>(filter)->set_bins(edges);
+    tally->add_filter(filter);
+  }
+  tally->set_strides();
+
+  // set_strides() previously accumulated this product in a 32-bit int.
+  REQUIRE(tally->n_filter_bins() == bins_per_filter * bins_per_filter);
+  REQUIRE(tally->n_filter_bins() > 2147483647);
 }
\ No newline at end of file

From 3247587d4920fa3c9a4e3e3da79adc20e23eb1f7 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 2 Jul 2026 11:54:12 -0500
Subject: [PATCH 2627/2654] Ensure photon cross sections are loaded when
 FileSource contains photons (#3988)

---
 src/source.cpp                       |  9 ++++++++-
 tests/unit_tests/test_source_file.py | 24 ++++++++++++++++++++++++
 2 files changed, 32 insertions(+), 1 deletion(-)

diff --git a/src/source.cpp b/src/source.cpp
index bee20d5c3..1e783b623 100644
--- a/src/source.cpp
+++ b/src/source.cpp
@@ -523,9 +523,16 @@ void FileSource::load_sites_from_file(const std::string& path)
     file_close(file_id);
   }
 
-  // Make sure particles in source file have valid types
+  // Make sure particles in source file have valid types. If any particle is a
+  // photon, electron, or positron, enable photon transport so that the
+  // appropriate cross sections are loaded.
   for (const auto& site : this->sites_) {
     validate_particle_type(site.particle, "FileSource");
+    if (site.particle == ParticleType::photon() ||
+        site.particle == ParticleType::electron() ||
+        site.particle == ParticleType::positron()) {
+      settings::photon_transport = true;
+    }
   }
 }
 
diff --git a/tests/unit_tests/test_source_file.py b/tests/unit_tests/test_source_file.py
index 3e84fbe51..f19ea74a6 100644
--- a/tests/unit_tests/test_source_file.py
+++ b/tests/unit_tests/test_source_file.py
@@ -145,3 +145,27 @@ def test_source_file_transport(run_in_tmpdir):
 
     # Try running OpenMC
     model.run()
+
+
+def test_source_file_photon_transport(run_in_tmpdir):
+    # Create a source file containing a photon. Note that photon_transport is
+    # not explicitly enabled in the settings -- it should be turned on
+    # automatically because the source file contains a photon.
+    particle = openmc.SourceParticle(E=1.0e6, particle='photon')
+    openmc.write_source_file([particle], 'photon_source.h5')
+
+    # Create simple model to use the photon source file
+    model = openmc.Model()
+    al = openmc.Material()
+    al.add_element('Al', 1.0)
+    al.set_density('g/cm3', 2.7)
+    sph = openmc.Sphere(r=10.0, boundary_type='vacuum')
+    cell = openmc.Cell(fill=al, region=-sph)
+    model.geometry = openmc.Geometry([cell])
+    model.settings.source = openmc.FileSource(path='photon_source.h5')
+    model.settings.particles = 10
+    model.settings.batches = 3
+    model.settings.run_mode = 'fixed source'
+
+    # Running OpenMC should succeed
+    model.run()

From df6f94300f6f9013100073962ffc417f4c32c754 Mon Sep 17 00:00:00 2001
From: Jon Shimwell <jon@proximafusion.com>
Date: Thu, 2 Jul 2026 20:04:02 +0200
Subject: [PATCH 2628/2654] Turn the weight window game off for a zero or
 negative lower bound (#3990)

Co-authored-by: John Tramm <john.tramm@gmail.com>
Co-authored-by: shimwell <mail@jshimwell.com>
---
 include/openmc/weight_windows.h              |  8 ++-
 tests/regression_tests/weightwindows/test.py | 55 ++++++++++++++++++++
 2 files changed, 61 insertions(+), 2 deletions(-)

diff --git a/include/openmc/weight_windows.h b/include/openmc/weight_windows.h
index a5d404133..d0b385d16 100644
--- a/include/openmc/weight_windows.h
+++ b/include/openmc/weight_windows.h
@@ -52,8 +52,12 @@ struct WeightWindow {
   double weight_cutoff {DEFAULT_WEIGHT_CUTOFF};
   int max_split {10};
 
-  //! Whether the weight window is in a valid state
-  bool is_valid() const { return lower_weight >= 0.0; }
+  //! Whether the weight window is in a valid state. A non-positive lower
+  //! bound indicates that no weight window information exists at this
+  //! location (generators mark such cells with -1, and a lower bound of zero
+  //! conventionally turns the weight window game off in a cell, as in MCNP
+  //! wwinp files), in which case no weight window game is played.
+  bool is_valid() const { return lower_weight > 0.0; }
 
   //! Adjust the weight window by a constant factor
   void scale(double factor)
diff --git a/tests/regression_tests/weightwindows/test.py b/tests/regression_tests/weightwindows/test.py
index 1d3b063bd..c5b6bd889 100644
--- a/tests/regression_tests/weightwindows/test.py
+++ b/tests/regression_tests/weightwindows/test.py
@@ -119,6 +119,61 @@ def test_weightwindows(shared_secondary, subdir):
         test.main()
 
 
+def test_zero_bound_windows_play_no_game(tmp_path):
+    # A weight window lower bound of zero means no weight window information
+    # exists there (MCNP wwinp files use zero to turn the game off in a cell),
+    # so transport must proceed as if weight windows were disabled. Previously,
+    # zero-bound windows demanded a split at every checkpoint (weight/0 ->
+    # max_split), multiplying the particle population until terminated by the
+    # split or weight cutoff limits.
+    model = build_model(False)
+    for ww in model.settings.weight_windows:
+        ww.lower_ww_bounds = np.zeros_like(ww.lower_ww_bounds)
+        ww.upper_ww_bounds = np.zeros_like(ww.upper_ww_bounds)
+    sp_zero = model.run(cwd=tmp_path / 'zero_windows')
+
+    model.settings.weight_windows_on = False
+    sp_off = model.run(cwd=tmp_path / 'windows_off')
+
+    with openmc.StatePoint(sp_zero) as sp:
+        flux_zero = list(sp.tallies.values())[0].mean
+    with openmc.StatePoint(sp_off) as sp:
+        flux_off = list(sp.tallies.values())[0].mean
+
+    np.testing.assert_allclose(flux_zero, flux_off, rtol=1e-12)
+
+
+def test_zero_and_negative_bounds_equivalent(tmp_path):
+    # Zero and negative lower bounds both mean that no weight window
+    # information exists in a cell (generators mark such cells with -1, and
+    # MCNP wwinp files use zero), so they must produce identical transport.
+    # Unlike the all-zero case above, here particles are born under valid
+    # windows and encounter the no-information region in flight; previously a
+    # zero lower bound in that situation demanded a split at every checkpoint
+    # in the cell (weight/0 -> max_split), multiplying the particle population,
+    # while -1 played no game.
+    def run_with(bound_value, subdir):
+        model = build_model(False)
+        for ww in model.settings.weight_windows:
+            lb = np.array(ww.lower_ww_bounds, copy=True)
+            ub = np.array(ww.upper_ww_bounds, copy=True)
+            lb[3:, :, :, :] = bound_value
+            ub[3:, :, :, :] = bound_value
+            ww.lower_ww_bounds = lb
+            ww.upper_ww_bounds = ub
+        return model.run(cwd=tmp_path / subdir)
+
+    sp_zero = run_with(0.0, 'zero_region')
+    sp_negative = run_with(-1.0, 'negative_region')
+
+    with openmc.StatePoint(sp_zero) as sp:
+        flux_zero = list(sp.tallies.values())[0].mean
+    with openmc.StatePoint(sp_negative) as sp:
+        flux_negative = list(sp.tallies.values())[0].mean
+
+    np.testing.assert_allclose(flux_zero, flux_negative, rtol=1e-12)
+
+
 def test_wwinp_cylindrical():
 
     ww = openmc.WeightWindowsList.from_wwinp('ww_n_cyl.txt')[0]

From 97e04c464a279500bc740a1151fef5c629796e89 Mon Sep 17 00:00:00 2001
From: Matteo Zammataro <103496190+MatteoZammataro@users.noreply.github.com>
Date: Fri, 3 Jul 2026 01:51:10 +0200
Subject: [PATCH 2629/2654] Add ambient dose coefficients (H*(10)) from ICRP74
 (#3256)

Co-authored-by: matteo.zammataro <matteo.zammataro@newcleo.com>
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/data/dose/dose.py                 | 129 +++++++++++++++--------
 openmc/data/dose/icrp74/neutrons_H10.txt |  50 +++++++++
 openmc/data/dose/icrp74/photons_H10.txt  |  28 +++++
 tests/unit_tests/test_data_dose.py       |  27 ++++-
 4 files changed, 187 insertions(+), 47 deletions(-)
 create mode 100644 openmc/data/dose/icrp74/neutrons_H10.txt
 create mode 100644 openmc/data/dose/icrp74/photons_H10.txt

diff --git a/openmc/data/dose/dose.py b/openmc/data/dose/dose.py
index d49043b0a..87e0cf9ae 100644
--- a/openmc/data/dose/dose.py
+++ b/openmc/data/dose/dose.py
@@ -4,50 +4,76 @@ import numpy as np
 
 import openmc.checkvalue as cv
 
-_FILES = {
-    ('icrp74', 'neutron'): Path('icrp74') / 'neutrons.txt',
-    ('icrp74', 'photon'): Path('icrp74') / 'photons.txt',
-    ('icrp116', 'electron'): Path('icrp116') / 'electrons.txt',
-    ('icrp116', 'helium'): Path('icrp116') / 'helium_ions.txt',
-    ('icrp116', 'mu-'): Path('icrp116') / 'negative_muons.txt',
-    ('icrp116', 'pi-'): Path('icrp116') / 'negative_pions.txt',
-    ('icrp116', 'neutron'): Path('icrp116') / 'neutrons.txt',
-    ('icrp116', 'photon'): Path('icrp116') / 'photons.txt',
-    ('icrp116', 'photon kerma'): Path('icrp116') / 'photons_kerma.txt',
-    ('icrp116', 'mu+'): Path('icrp116') / 'positive_muons.txt',
-    ('icrp116', 'pi+'): Path('icrp116') / 'positive_pions.txt',
-    ('icrp116', 'positron'): Path('icrp116') / 'positrons.txt',
-    ('icrp116', 'proton'): Path('icrp116') / 'protons.txt',
+_FULL_GEOMETRIES = ('AP', 'PA', 'LLAT', 'RLAT', 'ROT', 'ISO')
+_LIMITED_GEOMETRIES = ('AP', 'PA', 'ISO')
+
+_TABLES = {
+    ('icrp74', 'effective', 'neutron'): (
+        Path('icrp74') / 'neutrons.txt', _FULL_GEOMETRIES),
+    ('icrp74', 'effective', 'photon'): (
+        Path('icrp74') / 'photons.txt', _FULL_GEOMETRIES),
+    ('icrp116', 'effective', 'electron'): (
+        Path('icrp116') / 'electrons.txt', _LIMITED_GEOMETRIES),
+    ('icrp116', 'effective', 'helium'): (
+        Path('icrp116') / 'helium_ions.txt', _LIMITED_GEOMETRIES),
+    ('icrp116', 'effective', 'mu-'): (
+        Path('icrp116') / 'negative_muons.txt', _LIMITED_GEOMETRIES),
+    ('icrp116', 'effective', 'pi-'): (
+        Path('icrp116') / 'negative_pions.txt', _LIMITED_GEOMETRIES),
+    ('icrp116', 'effective', 'neutron'): (
+        Path('icrp116') / 'neutrons.txt', _FULL_GEOMETRIES),
+    ('icrp116', 'effective', 'photon'): (
+        Path('icrp116') / 'photons.txt', _FULL_GEOMETRIES),
+    ('icrp116', 'effective', 'photon kerma'): (
+        Path('icrp116') / 'photons_kerma.txt', _FULL_GEOMETRIES),
+    ('icrp116', 'effective', 'mu+'): (
+        Path('icrp116') / 'positive_muons.txt', _LIMITED_GEOMETRIES),
+    ('icrp116', 'effective', 'pi+'): (
+        Path('icrp116') / 'positive_pions.txt', _LIMITED_GEOMETRIES),
+    ('icrp116', 'effective', 'positron'): (
+        Path('icrp116') / 'positrons.txt', _LIMITED_GEOMETRIES),
+    ('icrp116', 'effective', 'proton'): (
+        Path('icrp116') / 'protons.txt', _FULL_GEOMETRIES),
+    ('icrp74', 'ambient', 'neutron'): (
+        Path('icrp74') / 'neutrons_H10.txt', None),
+    ('icrp74', 'ambient', 'photon'): (
+        Path('icrp74') / 'photons_H10.txt', None),
 }
 
 _DOSE_TABLES = {}
 
 
-def _load_dose_icrp(data_source: str, particle: str):
-    """Load effective dose tables from text files.
+def _load_dose_table(data_source: str, dose_quantity: str, particle: str):
+    """Load dose tables from text files.
 
     Parameters
     ----------
     data_source : {'icrp74', 'icrp116'}
         The dose conversion data source to use
+    dose_quantity : {'effective', 'ambient'}
+        Dose quantity to load. 'ambient' corresponds to ambient dose
+        equivalent H*(10).
     particle : {'neutron', 'photon', 'photon kerma', 'electron', 'positron'}
         Incident particle
 
     """
-    path = Path(__file__).parent / _FILES[data_source, particle]
+    key = (data_source, dose_quantity, particle)
+    path = Path(__file__).parent / _TABLES[key][0]
     data = np.loadtxt(path, skiprows=3, encoding='utf-8')
     data[:, 0] *= 1e6   # Change energies to eV
-    _DOSE_TABLES[data_source, particle] = data
+    _DOSE_TABLES[key] = data
 
 
-def dose_coefficients(particle, geometry='AP', data_source='icrp116'):
-    """Return effective dose conversion coefficients.
+def dose_coefficients(
+    particle, geometry='AP', data_source='icrp116', dose_quantity='effective'
+):
+    """Return dose conversion coefficients.
 
-    This function provides fluence (and air kerma) to effective or ambient dose
-    (H*(10)) conversion coefficients for various types of external exposures
-    based on values in ICRP publications. Corrected values found in a
-    corrigendum are used rather than the values in the original report.
-    Available libraries include `ICRP Publication 74
+    This function provides fluence (and air kerma) to effective dose or ambient
+    dose equivalent (H*(10)) conversion coefficients for various types of
+    external exposures based on values in ICRP publications. Corrected values
+    found in a corrigendum are used rather than the values in the original
+    report. Available libraries include `ICRP Publication 74
     <https://doi.org/10.1016/S0146-6453(96)90010-X>` and `ICRP Publication 116
     <https://doi.org/10.1016/j.icrp.2011.10.001>`.
 
@@ -63,45 +89,58 @@ def dose_coefficients(particle, geometry='AP', data_source='icrp116'):
     particle : {'neutron', 'photon', 'photon kerma', 'electron', 'positron'}
         Incident particle
     geometry : {'AP', 'PA', 'LLAT', 'RLAT', 'ROT', 'ISO'}
-        Irradiation geometry assumed. Refer to ICRP-116 (Section 3.2) for the
-        meaning of the options here.
+        Irradiation geometry assumed for effective dose coefficients. Refer to
+        ICRP-116 (Section 3.2) for the meaning of the options here. This
+        argument does not apply when ``dose_quantity`` is 'ambient'.
     data_source : {'icrp74', 'icrp116'}
-        The data source for the effective dose conversion coefficients.
+        The data source for the dose conversion coefficients.
+    dose_quantity : {'effective', 'ambient'}
+        Dose quantity to return. 'effective' returns effective dose
+        coefficients; 'ambient' returns ambient dose equivalent (H*(10))
+        coefficients.
 
     Returns
     -------
     energy : numpy.ndarray
         Energies at which dose conversion coefficients are given
     dose_coeffs : numpy.ndarray
-        Effective dose coefficients in [pSv cm^2] at provided energies. For
-        'photon kerma', the coefficients are given in [Sv/Gy].
+        Dose coefficients in [pSv cm^2] at provided energies. For 'photon
+        kerma', the coefficients are given in [Sv/Gy].
 
     """
 
-    cv.check_value('geometry', geometry, {'AP', 'PA', 'LLAT', 'RLAT', 'ROT', 'ISO'})
+    cv.check_value('geometry', geometry, _FULL_GEOMETRIES)
     cv.check_value('data_source', data_source, {'icrp74', 'icrp116'})
+    cv.check_value('dose_quantity', dose_quantity, {'effective', 'ambient'})
 
-    if (data_source, particle) not in _FILES:
-        available_particles = sorted({p for (ds, p) in _FILES if ds == data_source})
+    key = (data_source, dose_quantity, particle)
+    if key not in _TABLES:
+        available_particles = sorted(
+            p for ds, dq, p in _TABLES
+            if ds == data_source and dq == dose_quantity
+        )
         msg = (
-            f"'{particle}' has no dose data in data source {data_source}. "
-            f"Available particles for {data_source} are: {available_particles}"
+            f"'{particle}' has no {dose_quantity} dose data in data source "
+            f"{data_source}. Available particles for {data_source} "
+            f"with dose quantity {dose_quantity} are: {available_particles}"
         )
         raise ValueError(msg)
-    elif (data_source, particle) not in _DOSE_TABLES:
-        _load_dose_icrp(data_source, particle)
+    elif key not in _DOSE_TABLES:
+        _load_dose_table(data_source, dose_quantity, particle)
 
-    # Get all data for selected particle
-    data = _DOSE_TABLES[data_source, particle]
+    data = _DOSE_TABLES[key]
+    columns = _TABLES[key][1]
 
-    # Determine index for selected geometry
-    if particle in ('neutron', 'photon', 'proton', 'photon kerma'):
-        columns = ('AP', 'PA', 'LLAT', 'RLAT', 'ROT', 'ISO')
+    if columns is None:
+        if geometry != 'AP':
+            raise ValueError(
+                "Irradiation geometry is not defined for ambient dose "
+                "equivalent coefficients. Use the default geometry='AP'."
+            )
+        index = 0
     else:
-        columns = ('AP', 'PA', 'ISO')
-    index = columns.index(geometry)
+        index = columns.index(geometry)
 
-    # Pull out energy and dose from table
     energy = data[:, 0].copy()
     dose_coeffs = data[:, index + 1].copy()
     return energy, dose_coeffs
diff --git a/openmc/data/dose/icrp74/neutrons_H10.txt b/openmc/data/dose/icrp74/neutrons_H10.txt
new file mode 100644
index 000000000..fe0036cbc
--- /dev/null
+++ b/openmc/data/dose/icrp74/neutrons_H10.txt
@@ -0,0 +1,50 @@
+Neutrons: Ambient per fluence, in units of pSv cm², for monoenergetic particles incident.
+
+Energy (MeV)            Dose
+    1.00E-09			6.60
+    1.00E-08			9.00
+    2.53E-08			10.6
+    1.00E-07			12.9
+    2.00E-07			13.5
+    5.00E-07			13.6
+    1.00E-06			13.3
+    2.00E-06			12.9
+    5.00E-06			12.0
+    1.00E-05			11.3
+    2.00E-05			10.6
+    5.00E-05			9.90
+    1.00E-04			9.40
+    2.00E-04			8.90
+    5.00E-04			8.30
+    1.00E-03			7.90
+    2.00E-03			7.70
+    5.00E-03			8.00
+    1.00E-02			10.5
+    2.00E-02			16.6
+    3.00E-02			23.7
+    5.00E-02			41.1
+    7.00E-02			60.0
+    1.00E-01			88.0
+    1.50E-01			132
+    2.00E-01			170
+    3.00E-01			233
+    5.00E-01			322
+    7.00E-01			375
+    9.00E-01			400
+    1			        416
+    1.2			        425
+    2			        420
+    3			        412
+    4			        408
+    5			        405
+    6         			400
+    7			        405
+    8			        409
+    9			        420
+    10			        440
+    12			        480
+    14      			520
+    15			        540
+    16      			555
+    18			        570
+    20			        600
\ No newline at end of file
diff --git a/openmc/data/dose/icrp74/photons_H10.txt b/openmc/data/dose/icrp74/photons_H10.txt
new file mode 100644
index 000000000..66031b2f0
--- /dev/null
+++ b/openmc/data/dose/icrp74/photons_H10.txt
@@ -0,0 +1,28 @@
+Photons: Ambient dose (H*10) per fluence, in units of pSv cm²
+
+Energy (MeV)            Dose
+0.010					0.061
+0.015					0.83
+0.020					1.05					
+0.030					0.81					
+0.040					0.64					
+0.050					0.55					
+0.060					0.51					
+0.080					0.53					
+0.100					0.61					
+0.150					0.89					
+0.200					1.20					
+0.300					1.80					
+0.400					2.38					
+0.500					2.93					
+0.600					3.44					
+0.800					4.38					
+1				    	5.20					
+1.5	    				6.90					
+2		    			8.60					
+3			    		11.1					
+4				    	13.4					
+5				    	15.5					
+6   					17.6
+8		    			21.6
+10				    	25.6
\ No newline at end of file
diff --git a/tests/unit_tests/test_data_dose.py b/tests/unit_tests/test_data_dose.py
index 4f1880014..32be5eb89 100644
--- a/tests/unit_tests/test_data_dose.py
+++ b/tests/unit_tests/test_data_dose.py
@@ -34,6 +34,20 @@ def test_dose_coefficients():
     assert energy[-1] == approx(20.0e6)
     assert dose[-1] == approx(338.0)
 
+    energy, dose = dose_coefficients(
+        'neutron', data_source='icrp74', dose_quantity='ambient')
+    assert energy[0] == approx(1e-3)
+    assert dose[0] == approx(6.60)
+    assert energy[-1] == approx(20.0e6)
+    assert dose[-1] == approx(600)
+
+    energy, dose = dose_coefficients(
+        'photon', data_source='icrp74', dose_quantity='ambient')
+    assert energy[0] == approx(0.01e6)
+    assert dose[0] == approx(0.061)
+    assert energy[-1] == approx(10e6)
+    assert dose[-1] == approx(25.6)
+
     # Invalid particle/geometry should raise an exception
     with raises(ValueError):
         dose_coefficients('slime', 'LAT')
@@ -41,6 +55,14 @@ def test_dose_coefficients():
         dose_coefficients('neutron', 'ZZ')
     with raises(ValueError):
         dose_coefficients('neutron', data_source='icrp7000')
+    with raises(ValueError):
+        dose_coefficients('neutron', dose_quantity='banana')
+    with raises(ValueError):
+        dose_coefficients(
+            'neutron', data_source='icrp116', dose_quantity='ambient')
+    with raises(ValueError):
+        dose_coefficients(
+            'neutron', 'ISO', data_source='icrp74', dose_quantity='ambient')
     with raises(ValueError) as excinfo:
         dose_coefficients("photons", data_source="icrp116")
     expected_particles = [
@@ -57,7 +79,8 @@ def test_dose_coefficients():
         "proton",
     ]
     expected_msg = (
-        "'photons' has no dose data in data source icrp116. "
-        f"Available particles for icrp116 are: {expected_particles}"
+        "'photons' has no effective dose data in data source icrp116. "
+        "Available particles for icrp116 with dose quantity effective are: "
+        f"{expected_particles}"
     )
     assert str(excinfo.value) == expected_msg

From 66359e5dd8382b81c508458fa64922100627fa89 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 3 Jul 2026 15:52:19 -0500
Subject: [PATCH 2630/2654] Fix surface tally crash on lattice crossings
 (#3993)

Co-authored-by: GuySten <guyste@post.bgu.ac.il>
---
 src/particle.cpp                      |  3 +-
 tests/unit_tests/test_surface_flux.py | 44 +++++++++++++++++++++++++++
 2 files changed, 46 insertions(+), 1 deletion(-)

diff --git a/src/particle.cpp b/src/particle.cpp
index 779ae18da..65ff2ad61 100644
--- a/src/particle.cpp
+++ b/src/particle.cpp
@@ -338,13 +338,14 @@ void Particle::event_cross_surface()
       boundary().lattice_translation()[2] != 0) {
     // Particle crosses lattice boundary
 
+    int i_lattice = coord(boundary().coord_level() - 1).lattice();
     bool verbose = settings::verbosity >= 10 || trace();
     cross_lattice(*this, boundary(), verbose);
     event() = TallyEvent::LATTICE;
 
     // Score cell to cell partial currents
     if (!model::active_surface_tallies.empty()) {
-      auto& lat {*model::lattices[lowest_coord().lattice()]};
+      auto& lat {*model::lattices[i_lattice]};
       bool is_valid;
       Direction normal =
         lat.get_normal(boundary().lattice_translation(), is_valid);
diff --git a/tests/unit_tests/test_surface_flux.py b/tests/unit_tests/test_surface_flux.py
index 4e067ffe2..e4419252e 100644
--- a/tests/unit_tests/test_surface_flux.py
+++ b/tests/unit_tests/test_surface_flux.py
@@ -98,6 +98,50 @@ def test_surface_filter_flux_angled(two_cell_model, run_in_tmpdir):
     assert flux_mean == pytest.approx(1.0 / mu)
 
 
+def test_surface_tally_during_lattice_crossing(run_in_tmpdir):
+    openmc.reset_auto_ids()
+    model = openmc.Model()
+
+    xmin = openmc.XPlane(-1.0, boundary_type="vacuum")
+    xmax = openmc.XPlane(1.0, boundary_type="vacuum")
+    ymin = openmc.YPlane(-1.0, boundary_type="vacuum")
+    ymax = openmc.YPlane(1.0, boundary_type="vacuum")
+    zmin = openmc.ZPlane(-1.0, boundary_type="vacuum")
+    zmax = openmc.ZPlane(1.0, boundary_type="vacuum")
+    
+    inner_cell = openmc.Cell()
+    inner_univ = openmc.Universe(cells=[inner_cell])
+
+    tile_cell = openmc.Cell(fill=inner_univ)
+    tile_univ = openmc.Universe(cells=[tile_cell])
+
+    lattice = openmc.RectLattice()
+    lattice.lower_left = (-1.0, -1.0)
+    lattice.pitch = (1.0, 2.0)
+    lattice.universes = [[tile_univ, tile_univ]]
+
+    root_cell = openmc.Cell(
+        fill=lattice, region=+xmin & -xmax & +ymin & -ymax & +zmin & -zmax)
+    model.geometry = openmc.Geometry([root_cell])
+
+    src = openmc.IndependentSource()
+    src.space = openmc.stats.Point((-0.5, 0.0, 0.0))
+    src.angle = openmc.stats.Monodirectional((1.0, 0.0, 0.0))
+
+    model.settings.run_mode = 'fixed source'
+    model.settings.batches = 1
+    model.settings.particles = 5
+    model.settings.source = src
+
+    current_tally = openmc.Tally()
+    current_tally.filters = [openmc.SurfaceFilter(xmax)]
+    current_tally.scores = ['current']
+    model.tallies = [current_tally]
+
+    model.run(apply_tally_results=True)
+    assert current_tally.mean.flat[0] == pytest.approx(1.0)
+
+
 def test_cellfrom_filter_flux_directional(two_cell_model, run_in_tmpdir):
     """SurfaceFilter + CellFromFilter + flux scores only the correct direction."""
     model, xmid, cell1, cell2 = two_cell_model

From e3bc615172ffa5ad825d4221c2f22edbe231fbba Mon Sep 17 00:00:00 2001
From: Matteo Zammataro <103496190+MatteoZammataro@users.noreply.github.com>
Date: Fri, 3 Jul 2026 23:39:17 +0200
Subject: [PATCH 2631/2654] Fix numerical cancellation in RectLattice::distance
 for large pitch values (#3853)

Co-authored-by: matteo.zammataro <matteo.zammataro@newcleo.com>
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 include/openmc/math_functions.h               | 12 +++
 src/lattice.cpp                               | 33 ++++++---
 src/math_functions.cpp                        |  8 ++
 tests/cpp_unit_tests/test_math.cpp            | 21 ++++++
 .../lattice_large_pitch/__init__.py           |  0
 .../lattice_large_pitch/inputs_true.dat       | 51 +++++++++++++
 .../lattice_large_pitch/results_true.dat      | 73 +++++++++++++++++++
 .../lattice_large_pitch/test.py               | 70 ++++++++++++++++++
 8 files changed, 256 insertions(+), 12 deletions(-)
 create mode 100644 tests/regression_tests/lattice_large_pitch/__init__.py
 create mode 100644 tests/regression_tests/lattice_large_pitch/inputs_true.dat
 create mode 100644 tests/regression_tests/lattice_large_pitch/results_true.dat
 create mode 100644 tests/regression_tests/lattice_large_pitch/test.py

diff --git a/include/openmc/math_functions.h b/include/openmc/math_functions.h
index dcc0e21fe..f322ad28a 100644
--- a/include/openmc/math_functions.h
+++ b/include/openmc/math_functions.h
@@ -233,5 +233,17 @@ void get_energy_index(
 
 double standard_normal_cdf(double z);
 
+//==============================================================================
+//! Return true if two floating-point values are approximately equal within a
+//! combined relative and absolute tolerance.
+//!
+//! \param a first floating point value
+//! \param b second floating point value
+//! \param rel_tol relative tolerance
+//! \param abs_tol absolute tolerance
+//! \return true if a and b are approximately equal, false otherwise
+//==============================================================================
+bool isclose(double a, double b, double rel_tol, double abs_tol);
+
 } // namespace openmc
 #endif // OPENMC_MATH_FUNCTIONS_H
diff --git a/src/lattice.cpp b/src/lattice.cpp
index e799a340e..9e56c58e8 100644
--- a/src/lattice.cpp
+++ b/src/lattice.cpp
@@ -10,6 +10,7 @@
 #include "openmc/geometry.h"
 #include "openmc/geometry_aux.h"
 #include "openmc/hdf5_interface.h"
+#include "openmc/math_functions.h"
 #include "openmc/string_utils.h"
 #include "openmc/vector.h"
 #include "openmc/xml_interface.h"
@@ -260,25 +261,33 @@ std::pair<double, array<int, 3>> RectLattice::distance(
   // Determine the oncoming edge.
   double x0 {copysign(0.5 * pitch_[0], u.x)};
   double y0 {copysign(0.5 * pitch_[1], u.y)};
-  double z0;
 
-  double d = std::min(
-    u.x != 0.0 ? (x0 - x) / u.x : INFTY, u.y != 0.0 ? (y0 - y) / u.y : INFTY);
+  // Evaluate the distance to each oncoming edge independently. Comparing these
+  // distances directly (rather than reconstructing the crossing position)
+  // avoids the floating-point cancellation that occurs for large pitches.
+  double dx = u.x != 0.0 ? (x0 - x) / u.x : INFTY;
+  double dy = u.y != 0.0 ? (y0 - y) / u.y : INFTY;
+  double dz = INFTY;
   if (is_3d_) {
-    z0 = copysign(0.5 * pitch_[2], u.z);
-    d = std::min(d, u.z != 0.0 ? (z0 - z) / u.z : INFTY);
+    double z0 {copysign(0.5 * pitch_[2], u.z)};
+    dz = u.z != 0.0 ? (z0 - z) / u.z : INFTY;
   }
 
-  // Determine which lattice boundaries are being crossed
+  // The distance to the nearest lattice boundary is the smallest axial
+  // distance.
+  double d = std::min({dx, dy, dz});
+
+  // Determine which lattice boundaries are being crossed. The axis attaining
+  // the minimum is exactly equal to d, so at least one translation is always
+  // set for a finite crossing; a near-equal second axis indicates a corner
+  // crossing.
   array<int, 3> lattice_trans = {0, 0, 0};
-  if (u.x != 0.0 && std::abs(x + u.x * d - x0) < FP_PRECISION)
+  if (isclose(d, dx, FP_COINCIDENT, FP_PRECISION))
     lattice_trans[0] = copysign(1, u.x);
-  if (u.y != 0.0 && std::abs(y + u.y * d - y0) < FP_PRECISION)
+  if (isclose(d, dy, FP_COINCIDENT, FP_PRECISION))
     lattice_trans[1] = copysign(1, u.y);
-  if (is_3d_) {
-    if (u.z != 0.0 && std::abs(z + u.z * d - z0) < FP_PRECISION)
-      lattice_trans[2] = copysign(1, u.z);
-  }
+  if (is_3d_ && isclose(d, dz, FP_COINCIDENT, FP_PRECISION))
+    lattice_trans[2] = copysign(1, u.z);
 
   return {d, lattice_trans};
 }
diff --git a/src/math_functions.cpp b/src/math_functions.cpp
index 81f08fa04..3befa8bc2 100644
--- a/src/math_functions.cpp
+++ b/src/math_functions.cpp
@@ -959,4 +959,12 @@ void get_energy_index(
   }
 }
 
+// Return true if two floating-point values are approximately equal within a
+// combined relative and absolute tolerance.
+bool isclose(double a, double b, double rel_tol, double abs_tol)
+{
+  return std::abs(a - b) <=
+         std::max(rel_tol * std::max(std::abs(a), std::abs(b)), abs_tol);
+}
+
 } // namespace openmc
diff --git a/tests/cpp_unit_tests/test_math.cpp b/tests/cpp_unit_tests/test_math.cpp
index 1ad7c4b70..983322e4b 100644
--- a/tests/cpp_unit_tests/test_math.cpp
+++ b/tests/cpp_unit_tests/test_math.cpp
@@ -355,3 +355,24 @@ TEST_CASE("Test broaden_wmp_polynomials")
     REQUIRE_THAT(ref_val, Catch::Matchers::Approx(test_val));
   }
 }
+
+TEST_CASE("Test isclose")
+{
+  using openmc::isclose;
+
+  // Identical values are always close, regardless of tolerances.
+  REQUIRE(isclose(1.0, 1.0, 0.0, 0.0));
+  REQUIRE(isclose(0.0, 0.0, 0.0, 0.0));
+
+  // Absolute tolerance governs comparisons near zero.
+  REQUIRE(isclose(0.0, 1e-15, 0.0, 1e-14));
+  REQUIRE_FALSE(isclose(0.0, 1e-13, 0.0, 1e-14));
+
+  // Relative tolerance scales with the magnitude of the operands.
+  REQUIRE(isclose(1.0e12, 1.0e12 + 1.0, 1e-12, 0.0));
+  REQUIRE_FALSE(isclose(1.0e12, 1.0e12 + 10.0, 1e-12, 0.0));
+
+  // The looser of the two tolerances wins.
+  REQUIRE(isclose(1.0, 1.0 + 1e-13, 0.0, 1e-12));
+  REQUIRE(isclose(1.0e6, 1.0e6 + 1e-4, 1e-9, 0.0));
+}
diff --git a/tests/regression_tests/lattice_large_pitch/__init__.py b/tests/regression_tests/lattice_large_pitch/__init__.py
new file mode 100644
index 000000000..e69de29bb
diff --git a/tests/regression_tests/lattice_large_pitch/inputs_true.dat b/tests/regression_tests/lattice_large_pitch/inputs_true.dat
new file mode 100644
index 000000000..4dd4f0bd7
--- /dev/null
+++ b/tests/regression_tests/lattice_large_pitch/inputs_true.dat
@@ -0,0 +1,51 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material id="1">
+      <density value="0.001" units="g/cm3"/>
+      <nuclide name="N14" ao="1.0"/>
+    </material>
+    <material id="2">
+      <density value="7.0" units="g/cm3"/>
+      <nuclide name="Fe56" ao="1.0"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" material="2" universe="1"/>
+    <cell id="2" material="1" universe="2"/>
+    <cell id="3" fill="3" region="1 -2 3 -4" universe="4"/>
+    <lattice id="3">
+      <pitch>100.0 100.0</pitch>
+      <outer>2</outer>
+      <dimension>3 3</dimension>
+      <lower_left>-150.0 -150.0</lower_left>
+      <universes>
+1 2 1 
+2 1 2 
+1 2 1 </universes>
+    </lattice>
+    <surface id="1" name="minimum x" type="x-plane" boundary="vacuum" coeffs="-150.0"/>
+    <surface id="2" name="maximum x" type="x-plane" boundary="vacuum" coeffs="150.0"/>
+    <surface id="3" name="minimum y" type="y-plane" boundary="vacuum" coeffs="-150.0"/>
+    <surface id="4" name="maximum y" type="y-plane" boundary="vacuum" coeffs="150.0"/>
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>1000</particles>
+    <batches>10</batches>
+  </settings>
+  <tallies>
+    <mesh id="1">
+      <dimension>6 6</dimension>
+      <lower_left>-150.0 -150.0</lower_left>
+      <upper_right>150.0 150.0</upper_right>
+    </mesh>
+    <filter id="1" type="mesh">
+      <bins>1</bins>
+    </filter>
+    <tally id="1">
+      <filters>1</filters>
+      <scores>flux</scores>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/lattice_large_pitch/results_true.dat b/tests/regression_tests/lattice_large_pitch/results_true.dat
new file mode 100644
index 000000000..58c4e306d
--- /dev/null
+++ b/tests/regression_tests/lattice_large_pitch/results_true.dat
@@ -0,0 +1,73 @@
+tally 1:
+1.749265E+01
+3.275925E+01
+4.159430E+01
+1.799568E+02
+7.027454E+01
+4.967568E+02
+6.789716E+01
+4.652258E+02
+4.272935E+01
+1.861129E+02
+2.073342E+01
+4.374279E+01
+4.028297E+01
+1.641642E+02
+6.734263E+01
+4.627171E+02
+1.037657E+02
+1.078682E+03
+1.108394E+02
+1.240927E+03
+7.236770E+01
+5.302034E+02
+4.356361E+01
+1.921990E+02
+6.731536E+01
+4.615977E+02
+9.850684E+01
+9.810272E+02
+5.164863E+02
+2.670336E+04
+5.097770E+02
+2.604770E+04
+1.064847E+02
+1.137536E+03
+7.052986E+01
+5.003220E+02
+7.065046E+01
+5.036723E+02
+1.044890E+02
+1.103250E+03
+5.121544E+02
+2.632389E+04
+5.065331E+02
+2.570752E+04
+1.044794E+02
+1.101249E+03
+6.569142E+01
+4.361120E+02
+4.739812E+01
+2.313289E+02
+7.402284E+01
+5.591689E+02
+1.066905E+02
+1.149521E+03
+1.038665E+02
+1.086813E+03
+7.160008E+01
+5.217744E+02
+4.219705E+01
+1.816100E+02
+2.089838E+01
+4.464899E+01
+4.154271E+01
+1.745866E+02
+7.081253E+01
+5.049997E+02
+6.673273E+01
+4.509038E+02
+4.184624E+01
+1.771546E+02
+1.853898E+01
+3.538608E+01
diff --git a/tests/regression_tests/lattice_large_pitch/test.py b/tests/regression_tests/lattice_large_pitch/test.py
new file mode 100644
index 000000000..0f409badd
--- /dev/null
+++ b/tests/regression_tests/lattice_large_pitch/test.py
@@ -0,0 +1,70 @@
+"""Regression test for rectangular lattices with large pitch values.
+
+Large pitches used to trigger a segmentation fault in ``RectLattice::distance``
+because the boundary-crossing check compared a reconstructed crossing position
+against an absolute tolerance that did not scale with the geometry (see #3852).
+This test transports particles across a lattice with a large pitch to ensure the
+crossing logic remains robust.
+
+"""
+
+import openmc
+import pytest
+
+from tests.testing_harness import PyAPITestHarness
+
+
+@pytest.fixture
+def model():
+    model = openmc.Model()
+
+    # Large pitch that previously caused floating-point cancellation
+    pitch = 100.0
+    n = 3
+
+    air = openmc.Material()
+    air.set_density('g/cm3', 0.001)
+    air.add_nuclide('N14', 1.0)
+    metal = openmc.Material()
+    metal.set_density('g/cm3', 7.0)
+    metal.add_nuclide('Fe56', 1.0)
+
+    metal_cell = openmc.Cell(fill=metal)
+    metal_uni = openmc.Universe(cells=[metal_cell])
+    air_cell = openmc.Cell(fill=air)
+    air_uni = openmc.Universe(cells=[air_cell])
+
+    lattice = openmc.RectLattice()
+    lattice.lower_left = (-pitch*n/2, -pitch*n/2)
+    lattice.pitch = (pitch, pitch)
+    lattice.outer = air_uni
+    lattice.universes = [
+        [metal_uni, air_uni, metal_uni],
+        [air_uni, metal_uni, air_uni],
+        [metal_uni, air_uni, metal_uni],
+    ]
+
+    box = openmc.model.RectangularPrism(pitch*n, pitch*n, boundary_type='vacuum')
+    root_cell = openmc.Cell(region=-box, fill=lattice)
+    model.geometry = openmc.Geometry([root_cell])
+
+    model.settings.run_mode = 'fixed source'
+    model.settings.batches = 10
+    model.settings.particles = 1000
+
+    mesh = openmc.RegularMesh()
+    mesh.dimension = (6, 6)
+    mesh.lower_left = (-pitch*n/2, -pitch*n/2)
+    mesh.upper_right = (pitch*n/2, pitch*n/2)
+    mesh_filter = openmc.MeshFilter(mesh)
+    tally = openmc.Tally(tally_id=1)
+    tally.filters = [mesh_filter]
+    tally.scores = ['flux']
+    model.tallies = [tally]
+
+    return model
+
+
+def test_lattice_large_pitch(model):
+    harness = PyAPITestHarness('statepoint.10.h5', model)
+    harness.main()

From 3fcb9692be2dd920e773c04bfab8151b5f773549 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Sat, 4 Jul 2026 22:20:03 -0500
Subject: [PATCH 2632/2654] Make sure output is treated consistently in
 R2SManager (#3994)

---
 openmc/deplete/microxs.py | 3 ++-
 openmc/deplete/r2s.py     | 2 +-
 2 files changed, 3 insertions(+), 2 deletions(-)

diff --git a/openmc/deplete/microxs.py b/openmc/deplete/microxs.py
index 42bb958ca..7049f7d31 100644
--- a/openmc/deplete/microxs.py
+++ b/openmc/deplete/microxs.py
@@ -233,7 +233,8 @@ def get_microxs_and_flux(
             model.export_to_model_xml()
         comm.barrier()
         # Reinitialize with tallies
-        openmc.lib.init(intracomm=comm)
+        output = run_kwargs.get('output', True) if run_kwargs else True
+        openmc.lib.init(intracomm=comm, output=output)
 
     with TemporaryDirectory() as temp_dir:
         # Indicate to run in temporary directory unless being executed through
diff --git a/openmc/deplete/r2s.py b/openmc/deplete/r2s.py
index 6dbb3adb2..d41e230ee 100644
--- a/openmc/deplete/r2s.py
+++ b/openmc/deplete/r2s.py
@@ -347,7 +347,7 @@ class R2SManager:
 
         # Run neutron transport and get fluxes and micros. Run via openmc.lib to
         # maintain a consistent parallelism strategy with the activation step.
-        with TemporarySession():
+        with TemporarySession(output=False):
             self.results['fluxes'], self.results['micros'] = get_microxs_and_flux(
                 self.neutron_model, domains, **micro_kwargs)
 

From 0c6b3fb83570a03d8217fd723ad8071c7704735c Mon Sep 17 00:00:00 2001
From: viktormai <127278660+viktormai@users.noreply.github.com>
Date: Mon, 6 Jul 2026 12:47:22 -0500
Subject: [PATCH 2633/2654] Overlap detection for plotter (#3969)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 include/openmc/geometry.h                     | 38 +++++++-
 include/openmc/plot.h                         | 14 +--
 openmc/lib/plot.py                            | 28 ++++++
 src/geometry.cpp                              | 37 ++++++--
 src/plot.cpp                                  | 40 +++++++--
 .../test_slice_data_overlap_info.py           | 87 +++++++++++++++++++
 6 files changed, 225 insertions(+), 19 deletions(-)
 create mode 100644 tests/unit_tests/test_slice_data_overlap_info.py

diff --git a/include/openmc/geometry.h b/include/openmc/geometry.h
index 107cc7d1f..43cf9bb58 100644
--- a/include/openmc/geometry.h
+++ b/include/openmc/geometry.h
@@ -3,9 +3,12 @@
 
 #include <cmath>
 #include <cstdint>
+#include <unordered_map>
+#include <vector>
 
 #include "openmc/array.h"
 #include "openmc/constants.h"
+#include "openmc/random_ray/source_region.h" // For hash_combine
 #include "openmc/vector.h"
 
 namespace openmc {
@@ -13,6 +16,34 @@ namespace openmc {
 class BoundaryInfo;
 class GeometryState;
 
+//==============================================================================
+//! OverlapKey to store cell and universe data of a single overlap, along with
+//! a functor for hashing an OverlapKey into an unordered_map.
+//==============================================================================
+
+struct OverlapKey {
+  int universe_id;
+  int cell1_id;
+  int cell2_id;
+
+  bool operator==(const OverlapKey& other) const
+  {
+    return universe_id == other.universe_id && cell1_id == other.cell1_id &&
+           cell2_id == other.cell2_id;
+  }
+};
+
+struct OverlapKeyHash {
+  std::size_t operator()(const OverlapKey& k) const
+  {
+    size_t seed = 0;
+    hash_combine(seed, k.universe_id);
+    hash_combine(seed, k.cell1_id);
+    hash_combine(seed, k.cell2_id);
+    return seed;
+  }
+};
+
 //==============================================================================
 // Global variables
 //==============================================================================
@@ -24,6 +55,10 @@ extern "C" int n_coord_levels; //!< Number of CSG coordinate levels
 
 extern vector<int64_t> overlap_check_count;
 
+// Overlap data structures get cleared every slice_data run
+extern vector<OverlapKey> overlap_keys;
+extern std::unordered_map<OverlapKey, int, OverlapKeyHash> overlap_key_index;
+
 } // namespace model
 
 //==============================================================================
@@ -38,8 +73,7 @@ inline bool coincident(double d1, double d2)
 //==============================================================================
 //! Check for overlapping cells at a particle's position.
 //==============================================================================
-
-bool check_cell_overlap(GeometryState& p, bool error = true);
+int check_cell_overlap(GeometryState& p, bool error = true);
 
 //==============================================================================
 //! Get the cell instance for a particle at the specified universe level
diff --git a/include/openmc/plot.h b/include/openmc/plot.h
index f97d31384..ba8ac84a1 100644
--- a/include/openmc/plot.h
+++ b/include/openmc/plot.h
@@ -5,6 +5,7 @@
 #include <sstream>
 #include <unordered_map>
 #include <unordered_set>
+#include <vector>
 
 #include "openmc/tensor.h"
 #include "pugixml.hpp"
@@ -155,7 +156,7 @@ struct IdData {
   // Methods
   void set_value(size_t y, size_t x, const Particle& p, int level,
     Filter* filter = nullptr, FilterMatch* match = nullptr);
-  void set_overlap(size_t y, size_t x);
+  void set_overlap(size_t y, size_t x, int overlap_idx);
 
   // Members
   tensor::Tensor<int32_t> data_; //!< 2D array of cell & material ids
@@ -168,7 +169,7 @@ struct PropertyData {
   // Methods
   void set_value(size_t y, size_t x, const Particle& p, int level,
     Filter* filter = nullptr, FilterMatch* match = nullptr);
-  void set_overlap(size_t y, size_t x);
+  void set_overlap(size_t y, size_t x, int overlap_idx);
 
   // Members
   tensor::Tensor<double> data_; //!< 2D array of temperature & density data
@@ -181,7 +182,7 @@ struct RasterData {
   // Methods
   void set_value(size_t y, size_t x, const Particle& p, int level,
     Filter* filter = nullptr, FilterMatch* match = nullptr);
-  void set_overlap(size_t y, size_t x);
+  void set_overlap(size_t y, size_t x, int overlap_idx);
 
   // Members
   tensor::Tensor<int32_t>
@@ -278,8 +279,11 @@ T SlicePlotBase::get_map(int32_t filter_index) const
         if (found_cell) {
           data.set_value(y, x, p, j, filter, &match);
         }
-        if (show_overlaps_ && check_cell_overlap(p, false)) {
-          data.set_overlap(y, x);
+        if (show_overlaps_) {
+          int overlap_idx = check_cell_overlap(p, false);
+          if (overlap_idx >= 0) {
+            data.set_overlap(y, x, overlap_idx);
+          }
         }
       } // inner for
     }
diff --git a/openmc/lib/plot.py b/openmc/lib/plot.py
index 44d6ac273..0f2e6c19a 100644
--- a/openmc/lib/plot.py
+++ b/openmc/lib/plot.py
@@ -255,6 +255,34 @@ def property_map(plot):
     return prop_data
 
 
+_dll.openmc_slice_data_overlap_count.argtypes = [POINTER(c_size_t)]
+_dll.openmc_slice_data_overlap_count.restype = c_int
+_dll.openmc_slice_data_overlap_count.errcheck = _error_handler
+
+_dll.openmc_slice_data_overlap_info.argtypes = [c_size_t, POINTER(c_int32)]
+_dll.openmc_slice_data_overlap_info.restype = c_int
+_dll.openmc_slice_data_overlap_info.errcheck = _error_handler
+
+
+# Python wrappings for overlap functions
+def slice_data_overlap_count():
+    count = c_size_t()
+    _dll.openmc_slice_data_overlap_count(count)
+    return count.value
+
+
+def slice_data_overlap_info():
+    n = slice_data_overlap_count()
+    overlap_info = np.empty(n * 3, dtype=np.int32)
+
+    if n > 0:
+        _dll.openmc_slice_data_overlap_info(
+            n,
+            overlap_info.ctypes.data_as(POINTER(c_int32)),
+        )
+    return overlap_info, n
+
+
 _dll.openmc_get_plot_index.argtypes = [c_int32, POINTER(c_int32)]
 _dll.openmc_get_plot_index.restype = c_int
 _dll.openmc_get_plot_index.errcheck = _error_handler
diff --git a/src/geometry.cpp b/src/geometry.cpp
index ddb61385f..bf654f4f9 100644
--- a/src/geometry.cpp
+++ b/src/geometry.cpp
@@ -26,16 +26,22 @@ int n_coord_levels;
 
 vector<int64_t> overlap_check_count;
 
+vector<OverlapKey> overlap_keys;
+std::unordered_map<OverlapKey, int, OverlapKeyHash> overlap_key_index;
+
 } // namespace model
 
 //==============================================================================
 // Non-member functions
 //==============================================================================
 
-bool check_cell_overlap(GeometryState& p, bool error)
+int check_cell_overlap(GeometryState& p, bool error)
 {
   int n_coord = p.n_coord();
 
+  // If no overlap found, return a nonphysical index
+  int overlap_index = -1;
+
   // Loop through each coordinate level
   for (int j = 0; j < n_coord; j++) {
     Universe& univ = *model::universes[p.coord(j).universe()];
@@ -44,21 +50,40 @@ bool check_cell_overlap(GeometryState& p, bool error)
     for (auto index_cell : univ.cells_) {
       Cell& c = *model::cells[index_cell];
       if (c.contains(p.coord(j).r(), p.coord(j).u(), p.surface())) {
+#pragma omp atomic
+        ++model::overlap_check_count[index_cell];
         if (index_cell != p.coord(j).cell()) {
           if (error) {
             fatal_error(
               fmt::format("Overlapping cells detected: {}, {} on universe {}",
                 c.id_, model::cells[p.coord(j).cell()]->id_, univ.id_));
           }
-          return true;
+
+          // With no fatal error (plotter is calling), now adds overlaps and
+          // ensures order does not matter when making overlap key
+          int cell_a = model::cells[index_cell]->id_;
+          int cell_b = model::cells[p.coord(j).cell()]->id_;
+          int a = std::min(cell_a, cell_b);
+          int b = std::max(cell_a, cell_b);
+          OverlapKey key {univ.id_, a, b};
+#pragma omp critical(overlap_key_update)
+          {
+            auto it = model::overlap_key_index.find(key);
+            if (it != model::overlap_key_index.end()) {
+              overlap_index = it->second; // already exists, reuse index
+            } else {
+              int idx = int(model::overlap_keys.size());
+              model::overlap_keys.push_back(key);
+              model::overlap_key_index[key] = idx;
+              overlap_index = idx;
+            }
+          }
+          break;
         }
-#pragma omp atomic
-        ++model::overlap_check_count[index_cell];
       }
     }
   }
-
-  return false;
+  return overlap_index;
 }
 
 //==============================================================================
diff --git a/src/plot.cpp b/src/plot.cpp
index b9a1136af..d26589a79 100644
--- a/src/plot.cpp
+++ b/src/plot.cpp
@@ -73,7 +73,7 @@ void IdData::set_value(size_t y, size_t x, const Particle& p, int level,
   }
 }
 
-void IdData::set_overlap(size_t y, size_t x)
+void IdData::set_overlap(size_t y, size_t x, int /*overlap_idx*/)
 {
   for (size_t k = 0; k < data_.shape(2); ++k)
     data_(y, x, k) = OVERLAP;
@@ -94,7 +94,7 @@ void PropertyData::set_value(size_t y, size_t x, const Particle& p, int level,
   }
 }
 
-void PropertyData::set_overlap(size_t y, size_t x)
+void PropertyData::set_overlap(size_t y, size_t x, int /*overlap_idx*/)
 {
   data_(y, x) = OVERLAP;
 }
@@ -154,12 +154,12 @@ void RasterData::set_value(size_t y, size_t x, const Particle& p, int level,
   }
 }
 
-void RasterData::set_overlap(size_t y, size_t x)
+void RasterData::set_overlap(size_t y, size_t x, int overlap_idx)
 {
   // Set cell, instance, and material to OVERLAP, but preserve filter bin
   id_data_(y, x, 0) = OVERLAP;
   id_data_(y, x, 1) = OVERLAP;
-  id_data_(y, x, 2) = OVERLAP;
+  id_data_(y, x, 2) = OVERLAP - overlap_idx - 1;
   // Note: id_data_(y, x, 3) is NOT overwritten - preserves filter bin for tally
   // plotting
 
@@ -1991,10 +1991,12 @@ extern "C" int openmc_slice_data(const double origin[3], const double u_span[3],
     plot_params.show_overlaps_ = color_overlaps;
     plot_params.slice_level_ = level;
 
+    // Clear overlap data structures on new slice call
+    model::overlap_keys.clear();
+    model::overlap_key_index.clear();
+
     // Use get_map<RasterData> to generate data
     auto data = plot_params.get_map<RasterData>(filter_index);
-
-    // Copy geometry data
     std::copy(data.id_data_.begin(), data.id_data_.end(), geom_data);
 
     // Copy property data if requested
@@ -2010,6 +2012,32 @@ extern "C" int openmc_slice_data(const double origin[3], const double u_span[3],
   return 0;
 }
 
+// Gets the number of overlaps that we need data for
+extern "C" int openmc_slice_data_overlap_count(size_t* count)
+{
+  if (!count) {
+    set_errmsg("Null pointer passed for overlap count.");
+    return OPENMC_E_INVALID_ARGUMENT;
+  }
+  *count = model::overlap_keys.size();
+
+  return 0;
+}
+
+// Plotter pre-allocates array size based on what is returned with
+// overlap_count; populates an array of size 3*count
+extern "C" int openmc_slice_data_overlap_info(
+  size_t count, int32_t* overlap_info)
+{
+  for (size_t i = 0; i < count; ++i) {
+    overlap_info[i * 3] = model::overlap_keys[i].universe_id;
+    overlap_info[i * 3 + 1] = model::overlap_keys[i].cell1_id;
+    overlap_info[i * 3 + 2] = model::overlap_keys[i].cell2_id;
+  }
+
+  return 0;
+}
+
 extern "C" int openmc_get_plot_index(int32_t id, int32_t* index)
 {
   auto it = model::plot_map.find(id);
diff --git a/tests/unit_tests/test_slice_data_overlap_info.py b/tests/unit_tests/test_slice_data_overlap_info.py
new file mode 100644
index 000000000..c8e415002
--- /dev/null
+++ b/tests/unit_tests/test_slice_data_overlap_info.py
@@ -0,0 +1,87 @@
+import pytest
+import numpy as np
+import openmc
+import openmc.lib
+
+# Sentinel value matching _OVERLAP in plotmodel.py and OVERLAP in plot.cpp
+_OVERLAP = -3
+
+
+@pytest.fixture(scope='module')
+def overlap_model():
+    openmc.reset_auto_ids()
+
+    # Three cylinders: cyl1 and cyl2 overlap near x=0, cyl2 and cyl3 overlap
+    # near x=4. This gives us two spatially distinct overlap regions in one model.
+    mat1 = openmc.Material(components={'H1': 1.0})
+    mat2 = openmc.Material(components={'H1': 1.0})
+    mat3 = openmc.Material(components={'H1': 1.0})
+
+    # cyl1 and cyl2 overlap on the left, cyl2 and cyl3 overlap on the right
+    cyl1 = openmc.ZCylinder(x0=-2.0, r=2.5)
+    cyl2 = openmc.ZCylinder(x0=0.0, r=2.5)
+    cyl3 = openmc.ZCylinder(x0=2.0, r=2.5)
+    boundary = openmc.Sphere(r=20.0, boundary_type='vacuum')
+    cell1 = openmc.Cell(region=-cyl1, fill=mat1)
+    cell2 = openmc.Cell(region=-cyl2, fill=mat2)
+    cell3 = openmc.Cell(region=-cyl3, fill=mat3)
+    cell_outside = openmc.Cell(region=+cyl1 & +cyl2 & +cyl3 & -boundary)
+    geometry = openmc.Geometry([cell1, cell2, cell3, cell_outside])
+
+    settings = openmc.Settings()
+    settings.run_mode = 'fixed source'
+    settings.particles = 100
+    settings.batches = 1
+    model = openmc.Model(geometry=geometry, settings=settings)
+
+    with openmc.lib.TemporarySession(model, args=['-s', '1']):
+        yield
+
+
+def run_slice(origin=(0.0, 0.0, 0.0), width=(10.0, 6.0), show_overlaps=True):
+    # Helper that runs a slice over a region covering both overlap zones
+    geom_data, _ = openmc.lib.slice_data(
+        origin=origin,
+        width=width,
+        basis='xy',
+        pixels=(100, 60),
+        show_overlaps=show_overlaps,
+        include_properties=False,
+    )
+    return geom_data
+
+
+def test_overlaps_enabled(overlap_model):
+    # Run a single slice with overlap detection enabled and check all
+    # expected properties in one pass.
+    geom_data = run_slice()
+    overlap_info, n = openmc.lib.slice_data_overlap_info()
+    mat_ids = geom_data[:, :, 2]
+
+    # mat_ids should contain values more negative than _OVERLAP; RasterData
+    # encodes each unique overlap as OVERLAP - overlap_idx - 1 into slot 2.
+    assert np.any(mat_ids < _OVERLAP)
+
+    # overlap_keys should have 2 entries for the two distinct overlapping
+    # cylinder pairs in this model.
+    assert n == 2, f"Expected exactly 2 overlap entries, got {n}"
+
+    # Each entry is a (universe_id, cell1_id, cell2_id) triple; verify values.
+    for i in range(n):
+        universe_id = int(overlap_info[i * 3])
+        cell1_id = int(overlap_info[i * 3 + 1])
+        cell2_id = int(overlap_info[i * 3 + 2])
+        assert universe_id == 1
+        assert cell1_id in {1, 2, 3}
+        assert cell2_id in {1, 2, 3}
+        assert cell1_id != cell2_id
+
+
+def test_overlaps_disabled(overlap_model):
+    # With show_overlaps=False, set_overlap is never called and overlap_keys
+    # is never written to, so the image and map should both be clean.
+    geom_data = run_slice(show_overlaps=False)
+    _, n = openmc.lib.slice_data_overlap_info()
+
+    assert not np.any(geom_data[:, :, 2] < _OVERLAP)
+    assert n == 0

From 8684506269d29f129a28702a519467af8524ecb4 Mon Sep 17 00:00:00 2001
From: Andrew Davis <andrew.davis@ukaea.uk>
Date: Tue, 7 Jul 2026 15:58:19 +0100
Subject: [PATCH 2634/2654] This fixes compile isuees found with GCC 16.1.1 and
 FMT version (#4000)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 include/openmc/error.h       | 4 ++--
 src/distribution_spatial.cpp | 8 +++++---
 src/weight_windows.cpp       | 3 ++-
 3 files changed, 9 insertions(+), 6 deletions(-)

diff --git a/include/openmc/error.h b/include/openmc/error.h
index d73795aee..1f6e15f49 100644
--- a/include/openmc/error.h
+++ b/include/openmc/error.h
@@ -64,14 +64,14 @@ void write_message(
   int level, const std::string& message, const Params&... fmt_args)
 {
   if (settings::verbosity >= level) {
-    write_message(fmt::format(message, fmt_args...));
+    write_message(fmt::format(fmt::runtime(message), fmt_args...));
   }
 }
 
 template<typename... Params>
 void write_message(const std::string& message, const Params&... fmt_args)
 {
-  write_message(fmt::format(message, fmt_args...));
+  write_message(fmt::format(fmt::runtime(message), fmt_args...));
 }
 
 #ifdef OPENMC_MPI
diff --git a/src/distribution_spatial.cpp b/src/distribution_spatial.cpp
index ba8658f10..5a3452422 100644
--- a/src/distribution_spatial.cpp
+++ b/src/distribution_spatial.cpp
@@ -262,9 +262,11 @@ std::pair<Position, double> SphericalIndependent::sample(uint64_t* seed) const
 MeshSpatial::MeshSpatial(pugi::xml_node node)
 {
 
-  if (get_node_value(node, "type", true, true) != "mesh") {
-    fatal_error(fmt::format(
-      "Incorrect spatial type '{}' for a MeshSpatial distribution"));
+  auto spatial_type = get_node_value(node, "type", true, true);
+  if (spatial_type != "mesh") {
+    fatal_error(
+      fmt::format("Incorrect spatial type '{}' for a MeshSpatial distribution",
+        spatial_type));
   }
 
   // No in-tet distributions implemented, could include distributions for the
diff --git a/src/weight_windows.cpp b/src/weight_windows.cpp
index 39e46026c..0d268ce17 100644
--- a/src/weight_windows.cpp
+++ b/src/weight_windows.cpp
@@ -837,7 +837,8 @@ WeightWindowsGenerator::WeightWindowsGenerator(pugi::xml_node node)
       ratio_));
   if (ratio_ <= 1.0)
     fatal_error(fmt::format("Invalid weight window ratio '{}' (<= 1.0) "
-                            "specified for weight window generation"));
+                            "specified for weight window generation",
+      ratio_));
 
   // create a matching weight windows object
   auto wws = WeightWindows::create();

From 8b15ee3915dc59ff51742d0307181d2303512a6a Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 8 Jul 2026 11:25:21 -0500
Subject: [PATCH 2635/2654] Add Jon Shimwell to technical committee (#4001)

---
 docs/source/devguide/contributing.rst | 1 +
 1 file changed, 1 insertion(+)

diff --git a/docs/source/devguide/contributing.rst b/docs/source/devguide/contributing.rst
index cda031389..464bff2aa 100644
--- a/docs/source/devguide/contributing.rst
+++ b/docs/source/devguide/contributing.rst
@@ -112,6 +112,7 @@ The TC consists of the following individuals:
 - `Patrick Shriwise <https://github.com/pshriwise>`_
 - `Adam Nelson <https://github.com/nelsonag>`_
 - `Benoit Forget <https://github.com/bforget>`_
+- `Jonathan Shimwell <https://github.com/shimwell>`_
 
 The Project Lead is Paul Romano.
 

From 3cdb67e50d0724f672f1a4227dc2a5ab5a71e062 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 9 Jul 2026 04:47:55 -0500
Subject: [PATCH 2636/2654] Store slice overlap indices in cell ID field
 (#4002)

---
 openmc/lib/plot.py                            | 26 ++++++++++++++++---
 src/plot.cpp                                  | 10 +++----
 .../test_slice_data_overlap_info.py           | 18 +++++++------
 3 files changed, 37 insertions(+), 17 deletions(-)

diff --git a/openmc/lib/plot.py b/openmc/lib/plot.py
index 0f2e6c19a..471ae688b 100644
--- a/openmc/lib/plot.py
+++ b/openmc/lib/plot.py
@@ -265,22 +265,40 @@ _dll.openmc_slice_data_overlap_info.errcheck = _error_handler
 
 
 # Python wrappings for overlap functions
-def slice_data_overlap_count():
+def slice_data_overlap_count() -> int:
+    """Return the number of unique overlaps from the last slice plot.
+
+    Returns
+    -------
+    int
+        Number of unique overlapping cell pairs detected by the most recent
+        :func:`slice_data` call with overlap checking enabled.
+    """
     count = c_size_t()
     _dll.openmc_slice_data_overlap_count(count)
     return count.value
 
 
-def slice_data_overlap_info():
+def slice_data_overlap_info() -> np.ndarray:
+    """Return identifying information for overlaps from the last slice plot.
+
+    Returns
+    -------
+    numpy.ndarray
+        Array of shape ``(n, 3)`` with int32 dtype, where ``n`` is the number
+        of unique overlaps detected by the most recent :func:`slice_data` call
+        with overlap checking enabled. Each row contains ``[universe_id,
+        cell1_id, cell2_id]``.
+    """
     n = slice_data_overlap_count()
-    overlap_info = np.empty(n * 3, dtype=np.int32)
+    overlap_info = np.empty((n, 3), dtype=np.int32)
 
     if n > 0:
         _dll.openmc_slice_data_overlap_info(
             n,
             overlap_info.ctypes.data_as(POINTER(c_int32)),
         )
-    return overlap_info, n
+    return overlap_info
 
 
 _dll.openmc_get_plot_index.argtypes = [c_int32, POINTER(c_int32)]
diff --git a/src/plot.cpp b/src/plot.cpp
index d26589a79..06c2b550a 100644
--- a/src/plot.cpp
+++ b/src/plot.cpp
@@ -156,12 +156,12 @@ void RasterData::set_value(size_t y, size_t x, const Particle& p, int level,
 
 void RasterData::set_overlap(size_t y, size_t x, int overlap_idx)
 {
-  // Set cell, instance, and material to OVERLAP, but preserve filter bin
-  id_data_(y, x, 0) = OVERLAP;
+  // Set cell, instance, and material to OVERLAP, but preserve filter bin for
+  // tally plotting. Cell encodes the overlap index as a negative number so that
+  // it can be used to look up overlap information in the plotter.
+  id_data_(y, x, 0) = OVERLAP - overlap_idx - 1;
   id_data_(y, x, 1) = OVERLAP;
-  id_data_(y, x, 2) = OVERLAP - overlap_idx - 1;
-  // Note: id_data_(y, x, 3) is NOT overwritten - preserves filter bin for tally
-  // plotting
+  id_data_(y, x, 2) = OVERLAP;
 
   property_data_(y, x, 0) = OVERLAP;
   property_data_(y, x, 1) = OVERLAP;
diff --git a/tests/unit_tests/test_slice_data_overlap_info.py b/tests/unit_tests/test_slice_data_overlap_info.py
index c8e415002..e5f08245d 100644
--- a/tests/unit_tests/test_slice_data_overlap_info.py
+++ b/tests/unit_tests/test_slice_data_overlap_info.py
@@ -55,12 +55,13 @@ def test_overlaps_enabled(overlap_model):
     # Run a single slice with overlap detection enabled and check all
     # expected properties in one pass.
     geom_data = run_slice()
-    overlap_info, n = openmc.lib.slice_data_overlap_info()
-    mat_ids = geom_data[:, :, 2]
+    overlap_info = openmc.lib.slice_data_overlap_info()
+    n = overlap_info.shape[0]
+    cell_ids = geom_data[:, :, 0]
 
-    # mat_ids should contain values more negative than _OVERLAP; RasterData
+    # cell_ids should contain values more negative than _OVERLAP; RasterData
     # encodes each unique overlap as OVERLAP - overlap_idx - 1 into slot 2.
-    assert np.any(mat_ids < _OVERLAP)
+    assert np.any(cell_ids < _OVERLAP)
 
     # overlap_keys should have 2 entries for the two distinct overlapping
     # cylinder pairs in this model.
@@ -68,9 +69,9 @@ def test_overlaps_enabled(overlap_model):
 
     # Each entry is a (universe_id, cell1_id, cell2_id) triple; verify values.
     for i in range(n):
-        universe_id = int(overlap_info[i * 3])
-        cell1_id = int(overlap_info[i * 3 + 1])
-        cell2_id = int(overlap_info[i * 3 + 2])
+        universe_id = int(overlap_info[i, 0])
+        cell1_id = int(overlap_info[i, 1])
+        cell2_id = int(overlap_info[i, 2])
         assert universe_id == 1
         assert cell1_id in {1, 2, 3}
         assert cell2_id in {1, 2, 3}
@@ -81,7 +82,8 @@ def test_overlaps_disabled(overlap_model):
     # With show_overlaps=False, set_overlap is never called and overlap_keys
     # is never written to, so the image and map should both be clean.
     geom_data = run_slice(show_overlaps=False)
-    _, n = openmc.lib.slice_data_overlap_info()
+    overlap_info = openmc.lib.slice_data_overlap_info()
+    n = overlap_info.shape[0]
 
     assert not np.any(geom_data[:, :, 2] < _OVERLAP)
     assert n == 0

From 5203640549e690672c1bea3a1aa9ebe6c4f47121 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Thu, 9 Jul 2026 23:55:32 +0200
Subject: [PATCH 2637/2654] Further input validation for plot methods (#4004)

---
 openmc/model/model.py          | 14 +++++++++++++-
 tests/unit_tests/test_model.py | 21 +++++++++++++++++++++
 2 files changed, 34 insertions(+), 1 deletion(-)

diff --git a/openmc/model/model.py b/openmc/model/model.py
index 328494288..b166137f2 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -21,7 +21,8 @@ import openmc
 import openmc._xml as xml
 from openmc.dummy_comm import DummyCommunicator
 from openmc.executor import _process_CLI_arguments
-from openmc.checkvalue import check_type, check_value, PathLike
+from openmc.checkvalue import (check_type, check_value, check_greater_than,
+                               check_length, PathLike)
 from openmc.exceptions import InvalidIDError
 from openmc.plots import add_plot_params, _BASIS_INDICES, id_map_to_rgb
 from openmc.utility_funcs import change_directory
@@ -1050,6 +1051,13 @@ class Model:
         pixels: int | Sequence[int],
         basis: str
     ):
+        if isinstance(pixels, int):
+            check_greater_than('pixels', pixels, 0)
+        else:
+            check_length('pixels', pixels, 2)
+            for p in pixels:
+                check_greater_than('pixels', p, 0)
+
         x, y, _ = _BASIS_INDICES[basis]
 
         bb = self.bounding_box
@@ -1301,7 +1309,11 @@ class Model:
         import matplotlib.pyplot as plt
 
         check_type('n_samples', n_samples, int | None)
+        if n_samples is not None:
+            check_greater_than('n_samples', n_samples, 0, equality=True)
         check_type('plane_tolerance', plane_tolerance, Real)
+        check_greater_than('plane_tolerance', plane_tolerance, 0.0)
+
         if legend_kwargs is None:
             legend_kwargs = {}
         legend_kwargs.setdefault('bbox_to_anchor', (1.05, 1))
diff --git a/tests/unit_tests/test_model.py b/tests/unit_tests/test_model.py
index 028a83b0b..52ac43117 100644
--- a/tests/unit_tests/test_model.py
+++ b/tests/unit_tests/test_model.py
@@ -660,6 +660,27 @@ def test_model_plot():
     plt.close('all')
 
 
+def test_model_plot_invalid_inputs():
+    surface = openmc.Sphere(r=10.0, boundary_type="vacuum")
+    cell = openmc.Cell(region=-surface)
+    model = openmc.Model(openmc.Geometry([cell]))
+
+    with pytest.raises(ValueError):
+        model.plot(n_samples=-1)
+    with pytest.raises(TypeError):
+        model.plot(n_samples=1.5)
+    with pytest.raises(ValueError):
+        model.plot(plane_tolerance=0.0)
+    with pytest.raises(TypeError):
+        model.plot(plane_tolerance='1')
+    with pytest.raises(ValueError):
+        model.plot(pixels=-1)
+    with pytest.raises(ValueError):
+        model.plot(pixels=(0, 100))
+    with pytest.raises(ValueError):
+        model.plot(pixels=(100,))
+
+
 def test_model_id_map_initialization(run_in_tmpdir):
     model = openmc.examples.pwr_assembly()
     model.init_lib(output=False)

From e73d8048da30ad15ebf0afc0ad02bbe6a26eec22 Mon Sep 17 00:00:00 2001
From: GuySten <62616591+GuySten@users.noreply.github.com>
Date: Fri, 10 Jul 2026 01:45:09 +0300
Subject: [PATCH 2638/2654] Support cell densities per instances in plots
 (#4006)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/lib/plot.py           | 10 ++++++++--
 src/plot.cpp                 |  7 ++-----
 tests/unit_tests/test_lib.py | 16 ++++++++++++++++
 3 files changed, 26 insertions(+), 7 deletions(-)

diff --git a/openmc/lib/plot.py b/openmc/lib/plot.py
index 471ae688b..196682394 100644
--- a/openmc/lib/plot.py
+++ b/openmc/lib/plot.py
@@ -87,7 +87,7 @@ _dll.openmc_slice_data.errcheck = _error_handler
 
 
 def slice_data(origin, width=None, basis='xy', u_span=None, v_span=None,
-                pixels=None, show_overlaps=False, level=-1, filter=None,
+                pixels=None, show_overlaps=False, level=None, filter=None,
                 include_properties=True):
     """Generate a 2D raster of geometry and property data for plotting.
 
@@ -111,7 +111,7 @@ def slice_data(origin, width=None, basis='xy', u_span=None, v_span=None,
     show_overlaps : bool, optional
         Whether to detect overlapping cells
     level : int, optional
-        Universe level (-1 for deepest)
+        Universe level (None for deepest)
     filter : openmc.lib.Filter, optional
         Filter for bin index lookup
     include_properties : bool, optional
@@ -127,6 +127,12 @@ def slice_data(origin, width=None, basis='xy', u_span=None, v_span=None,
         Array of shape (v_res, h_res, 2) with float64 dtype containing
         [temperature, density], or None if include_properties=False
     """
+    # Set deepest level as default
+    if level is None:
+        level = -1
+    if not isinstance(level, int):
+        raise TypeError("level must be an integer.")
+
     if pixels is None:
         raise ValueError("pixels must be specified.")
     if len(pixels) != 2:
diff --git a/src/plot.cpp b/src/plot.cpp
index 06c2b550a..96df1c5be 100644
--- a/src/plot.cpp
+++ b/src/plot.cpp
@@ -88,10 +88,7 @@ void PropertyData::set_value(size_t y, size_t x, const Particle& p, int level,
 {
   Cell* c = model::cells.at(p.lowest_coord().cell()).get();
   data_(y, x, 0) = (p.sqrtkT() * p.sqrtkT()) / K_BOLTZMANN;
-  if (c->type_ != Fill::UNIVERSE && p.material() != MATERIAL_VOID) {
-    Material* m = model::materials.at(p.material()).get();
-    data_(y, x, 1) = m->density_gpcc_;
-  }
+  data_(y, x, 1) = c->density(p.cell_instance());
 }
 
 void PropertyData::set_overlap(size_t y, size_t x, int /*overlap_idx*/)
@@ -150,7 +147,7 @@ void RasterData::set_value(size_t y, size_t x, const Particle& p, int level,
   // set density (g/cm³)
   if (c->type_ != Fill::UNIVERSE && p.material() != MATERIAL_VOID) {
     Material* m = model::materials.at(p.material()).get();
-    property_data_(y, x, 1) = m->density_gpcc_;
+    property_data_(y, x, 1) = c->density(p.cell_instance());
   }
 }
 
diff --git a/tests/unit_tests/test_lib.py b/tests/unit_tests/test_lib.py
index f62306e83..4cfae0df2 100644
--- a/tests/unit_tests/test_lib.py
+++ b/tests/unit_tests/test_lib.py
@@ -926,6 +926,22 @@ def test_property_map(lib_init):
     assert np.allclose(expected_properties, properties, atol=1e-04)
 
 
+def test_slice_data(lib_init):
+    expected_properties = np.array(
+        [[(293.6, 0.740582), (293.6, 6.55), (293.6, 0.740582)],
+         [ (293.6, 6.55), (293.6, 10.29769),  (293.6, 6.55)],
+         [(293.6, 0.740582), (293.6, 6.55), (293.6, 0.740582)]], dtype='float')
+    origin = (0.0, 0.0, 0.0)
+    _, properties = openmc.lib.slice_data(
+        origin,
+        width=(1.26, 1.26),
+        basis='xy',
+        pixels=(3, 3),
+        include_properties=True
+    )
+    assert np.allclose(expected_properties, properties, atol=1e-04)
+
+
 def test_solid_raytrace_plot(lib_init, pincell_model):
     # Ensure plot mapping can be accessed and grows after allocation
     n0 = len(openmc.lib.plots)

From 3c3ebba98b491b9c07f1ec60a67d46bfc4c2d8de Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 9 Jul 2026 18:59:33 -0500
Subject: [PATCH 2639/2654] Turn on weight windows if `weight_windows_file` is
 specified (#4007)

---
 src/settings.cpp | 1 +
 1 file changed, 1 insertion(+)

diff --git a/src/settings.cpp b/src/settings.cpp
index 58bced940..15a7b9c27 100644
--- a/src/settings.cpp
+++ b/src/settings.cpp
@@ -1247,6 +1247,7 @@ void read_settings_xml(pugi::xml_node root)
   // read weight windows from file
   if (check_for_node(root, "weight_windows_file")) {
     weight_windows_file = get_node_value(root, "weight_windows_file");
+    weight_windows_on = true;
   }
 
   // read settings for weight windows value, this will override

From 7c408f6a100a8885b85df10df19589a1a9b1dce8 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 10 Jul 2026 02:48:11 -0500
Subject: [PATCH 2640/2654] Replace Ben Forget with John Tramm on technical
 committee (#4008)

---
 docs/source/devguide/contributing.rst | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/docs/source/devguide/contributing.rst b/docs/source/devguide/contributing.rst
index 464bff2aa..5199c9438 100644
--- a/docs/source/devguide/contributing.rst
+++ b/docs/source/devguide/contributing.rst
@@ -111,8 +111,8 @@ The TC consists of the following individuals:
 - `Paul Romano <https://github.com/paulromano>`_
 - `Patrick Shriwise <https://github.com/pshriwise>`_
 - `Adam Nelson <https://github.com/nelsonag>`_
-- `Benoit Forget <https://github.com/bforget>`_
 - `Jonathan Shimwell <https://github.com/shimwell>`_
+- `John Tramm <https://github.com/jtramm>`_
 
 The Project Lead is Paul Romano.
 

From 216651b69edfb8c012aa4812b094a1c8a53f36c9 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Fri, 10 Jul 2026 09:22:16 -0500
Subject: [PATCH 2641/2654] Shared secondary bank performance optimizations
 (#3995)

---
 include/openmc/particle_data.h |  6 +--
 src/particle.cpp               | 25 +++++++++---
 src/random_lcg.cpp             | 72 +++++++++++++++++++++-------------
 src/simulation.cpp             | 17 +++++---
 4 files changed, 77 insertions(+), 43 deletions(-)

diff --git a/include/openmc/particle_data.h b/include/openmc/particle_data.h
index f72948f6e..44e82fd23 100644
--- a/include/openmc/particle_data.h
+++ b/include/openmc/particle_data.h
@@ -582,10 +582,8 @@ public:
   // Methods and accessors
 
   // Cross section caches
-  NuclideMicroXS& neutron_xs(int i)
-  {
-    return neutron_xs_[i];
-  } // Microscopic neutron cross sections
+  // Microscopic neutron cross sections
+  NuclideMicroXS& neutron_xs(int i) { return neutron_xs_[i]; }
   const NuclideMicroXS& neutron_xs(int i) const { return neutron_xs_[i]; }
 
   // Microscopic photon cross sections
diff --git a/src/particle.cpp b/src/particle.cpp
index 65ff2ad61..10e8f213d 100644
--- a/src/particle.cpp
+++ b/src/particle.cpp
@@ -554,15 +554,30 @@ void Particle::event_death()
     finalize_particle_track(*this);
   }
 
-// Contribute tally reduction variables to global accumulator
+  // Contribute tally reduction variables to global accumulator
+  const auto k_absorption = keff_tally_absorption();
+  const auto k_collision = keff_tally_collision();
+  const auto k_tracklength = keff_tally_tracklength();
+  const auto leakage = keff_tally_leakage();
+
+  if (settings::run_mode == RunMode::EIGENVALUE) {
+    if (k_absorption != 0.0) {
 #pragma omp atomic
-  global_tally_absorption += keff_tally_absorption();
+      global_tally_absorption += k_absorption;
+    }
+    if (k_collision != 0.0) {
 #pragma omp atomic
-  global_tally_collision += keff_tally_collision();
+      global_tally_collision += k_collision;
+    }
+    if (k_tracklength != 0.0) {
 #pragma omp atomic
-  global_tally_tracklength += keff_tally_tracklength();
+      global_tally_tracklength += k_tracklength;
+    }
+  }
+  if (leakage != 0.0) {
 #pragma omp atomic
-  global_tally_leakage += keff_tally_leakage();
+    global_tally_leakage += leakage;
+  }
 
   // Reset particle tallies once accumulated
   keff_tally_absorption() = 0.0;
diff --git a/src/random_lcg.cpp b/src/random_lcg.cpp
index 29457569b..f2a81fc1c 100644
--- a/src/random_lcg.cpp
+++ b/src/random_lcg.cpp
@@ -12,6 +12,45 @@ constexpr uint64_t prn_mult {6364136223846793005ULL}; // multiplication
 constexpr uint64_t prn_add {1442695040888963407ULL};  // additive factor, c
 uint64_t prn_stride {DEFAULT_STRIDE}; // stride between particles
 
+namespace {
+
+struct SkipAheadCoefficients {
+  uint64_t multiplier;
+  uint64_t increment;
+};
+
+SkipAheadCoefficients future_seed_coefficients(uint64_t n)
+{
+  // The algorithm here to determine the parameters used to skip ahead is
+  // described in F. Brown, "Random Number Generation with Arbitrary Stride,"
+  // Trans. Am. Nucl. Soc. (Nov. 1994). This algorithm is able to skip ahead in
+  // O(log2(N)) operations instead of O(N). Basically, it computes parameters G
+  // and C which can then be used to find x_N = G*x_0 + C mod 2^M.
+
+  // Initialize constants
+  uint64_t g {prn_mult};
+  uint64_t c {prn_add};
+  uint64_t g_new {1};
+  uint64_t c_new {0};
+
+  while (n > 0) {
+    // Check if the least significant bit is 1.
+    if (n & 1) {
+      g_new *= g;
+      c_new = c_new * g + c;
+    }
+    c *= (g + 1);
+    g *= g;
+
+    // Move bits right, dropping least significant bit.
+    n >>= 1;
+  }
+
+  return {g_new, c_new};
+}
+
+} // namespace
+
 //==============================================================================
 // PRN
 //==============================================================================
@@ -69,9 +108,10 @@ uint64_t init_seed(int64_t id, int offset)
 
 void init_particle_seeds(int64_t id, uint64_t* seeds)
 {
+  auto [multiplier, increment] =
+    future_seed_coefficients(static_cast<uint64_t>(id) * prn_stride);
   for (int i = 0; i < N_STREAMS; i++) {
-    seeds[i] =
-      future_seed(static_cast<uint64_t>(id) * prn_stride, master_seed + i);
+    seeds[i] = multiplier * (master_seed + i) + increment;
   }
 }
 
@@ -90,33 +130,9 @@ void advance_prn_seed(int64_t n, uint64_t* seed)
 
 uint64_t future_seed(uint64_t n, uint64_t seed)
 {
-  // The algorithm here to determine the parameters used to skip ahead is
-  // described in F. Brown, "Random Number Generation with Arbitrary Stride,"
-  // Trans. Am. Nucl. Soc. (Nov. 1994). This algorithm is able to skip ahead in
-  // O(log2(N)) operations instead of O(N). Basically, it computes parameters G
-  // and C which can then be used to find x_N = G*x_0 + C mod 2^M.
-
-  // Initialize constants
-  uint64_t g {prn_mult};
-  uint64_t c {prn_add};
-  uint64_t g_new {1};
-  uint64_t c_new {0};
-
-  while (n > 0) {
-    // Check if the least significant bit is 1.
-    if (n & 1) {
-      g_new *= g;
-      c_new = c_new * g + c;
-    }
-    c *= (g + 1);
-    g *= g;
-
-    // Move bits right, dropping least significant bit.
-    n >>= 1;
-  }
-
   // With G and C, we can now find the new seed.
-  return g_new * seed + c_new;
+  auto [multiplier, increment] = future_seed_coefficients(n);
+  return multiplier * seed + increment;
 }
 
 //==============================================================================
diff --git a/src/simulation.cpp b/src/simulation.cpp
index 900a383ab..cfc2b43e6 100644
--- a/src/simulation.cpp
+++ b/src/simulation.cpp
@@ -886,11 +886,14 @@ void transport_history_based_single_particle(Particle& p)
 
 void transport_history_based()
 {
-#pragma omp parallel for schedule(runtime)
-  for (int64_t i_work = 1; i_work <= simulation::work_per_rank; ++i_work) {
+#pragma omp parallel
+  {
     Particle p;
-    initialize_particle_track(p, i_work, false);
-    transport_history_based_single_particle(p);
+#pragma omp for schedule(runtime)
+    for (int64_t i_work = 1; i_work <= simulation::work_per_rank; ++i_work) {
+      initialize_particle_track(p, i_work, false);
+      transport_history_based_single_particle(p);
+    }
   }
 }
 
@@ -923,15 +926,16 @@ void transport_history_based_shared_secondary()
 #pragma omp parallel
   {
     vector<SourceSite> thread_bank;
+    Particle p;
 
 #pragma omp for schedule(runtime)
     for (int64_t i = 1; i <= simulation::work_per_rank; i++) {
-      Particle p;
       initialize_particle_track(p, i, false);
       transport_history_based_single_particle(p);
       for (auto& site : p.local_secondary_bank()) {
         thread_bank.push_back(site);
       }
+      p.local_secondary_bank().clear();
     }
 
     // Drain thread-local bank into the shared secondary bank (once per thread)
@@ -988,11 +992,11 @@ void transport_history_based_shared_secondary()
 #pragma omp parallel
     {
       vector<SourceSite> thread_bank;
+      Particle p;
 
 #pragma omp for schedule(runtime)
       for (int64_t i = 1; i <= simulation::shared_secondary_bank_read.size();
            i++) {
-        Particle p;
         initialize_particle_track(p, i, true);
         SourceSite& site = simulation::shared_secondary_bank_read[i - 1];
         p.event_revive_from_secondary(site);
@@ -1000,6 +1004,7 @@ void transport_history_based_shared_secondary()
         for (auto& secondary_site : p.local_secondary_bank()) {
           thread_bank.push_back(secondary_site);
         }
+        p.local_secondary_bank().clear();
       }
 
       // Drain thread-local bank into the shared secondary bank (once per

From 7256d5046ae0b7ba05455c115f4f2f958313f786 Mon Sep 17 00:00:00 2001
From: Jonathan Shimwell <mail@jshimwell.com>
Date: Fri, 10 Jul 2026 17:02:14 +0200
Subject: [PATCH 2642/2654] extra checks for pixels (#4009)

Co-authored-by: Jonathan Shimwell <jon@proximafusion.com>
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/model/model.py          | 18 ++++++++++++------
 openmc/plots.py                | 14 +++++++-------
 tests/unit_tests/test_model.py |  2 ++
 3 files changed, 21 insertions(+), 13 deletions(-)

diff --git a/openmc/model/model.py b/openmc/model/model.py
index b166137f2..c437d2033 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -34,6 +34,15 @@ class ModelModifier(Protocol):
         ...
 
 
+def _check_pixels(pixels: int | Sequence[int]) -> None:
+    if isinstance(pixels, Integral):
+        check_greater_than('pixels', pixels, 0)
+    else:
+        check_length('pixels', pixels, 2)
+        for p in pixels:
+            check_greater_than('pixels', p, 0)
+
+
 class Model:
     """Model container.
 
@@ -1051,12 +1060,7 @@ class Model:
         pixels: int | Sequence[int],
         basis: str
     ):
-        if isinstance(pixels, int):
-            check_greater_than('pixels', pixels, 0)
-        else:
-            check_length('pixels', pixels, 2)
-            for p in pixels:
-                check_greater_than('pixels', p, 0)
+        _check_pixels(pixels)
 
         x, y, _ = _BASIS_INDICES[basis]
 
@@ -1220,6 +1224,8 @@ class Model:
         """
         import openmc.lib
 
+        _check_pixels(pixels)
+
         if width is not None and (u_span is not None or v_span is not None):
             raise ValueError("width is mutually exclusive with u_span/v_span.")
 
diff --git a/openmc/plots.py b/openmc/plots.py
index aeece7acf..531184095 100644
--- a/openmc/plots.py
+++ b/openmc/plots.py
@@ -383,7 +383,7 @@ def id_map_to_rgb(
     """
     # Initialize RGB array with white background (values between 0 and 1 for matplotlib)
     img = np.ones(id_map.shape, dtype=float)
-    
+
     # Get the appropriate index based on color_by
     if color_by == 'cell':
         id_index = 0  # Cell IDs are in the first channel
@@ -391,14 +391,14 @@ def id_map_to_rgb(
         id_index = 2  # Material IDs are in the third channel
     else:
         raise ValueError("color_by must be either 'cell' or 'material'")
-    
+
     # Get all unique IDs in the plot
     unique_ids = np.unique(id_map[:, :, id_index])
-    
+
     # Generate default colors if not provided
     if colors is None:
         colors = {}
-    
+
     # Convert colors dict to use IDs as keys
     color_map = {}
     for key, color in colors.items():
@@ -406,13 +406,13 @@ def id_map_to_rgb(
             color_map[key.id] = color
         else:
             color_map[key] = color
-    
+
     # Generate random colors for IDs not in color_map
     rng = np.random.RandomState(1)
     for uid in unique_ids:
         if uid > 0 and uid not in color_map:
             color_map[uid] = rng.randint(0, 256, (3,))
-    
+
     # Apply colors to each pixel
     for uid in unique_ids:
         if uid == -1:  # Background/void
@@ -432,7 +432,7 @@ def id_map_to_rgb(
                 rgb = color
             mask = id_map[:, :, id_index] == uid
             img[mask] = np.array(rgb) / 255.0
-    
+
     return img
 
 class PlotBase(IDManagerMixin):
diff --git a/tests/unit_tests/test_model.py b/tests/unit_tests/test_model.py
index 52ac43117..f60c458b6 100644
--- a/tests/unit_tests/test_model.py
+++ b/tests/unit_tests/test_model.py
@@ -679,6 +679,8 @@ def test_model_plot_invalid_inputs():
         model.plot(pixels=(0, 100))
     with pytest.raises(ValueError):
         model.plot(pixels=(100,))
+    with pytest.raises(ValueError):
+        model.slice_data(u_span=(2, 0, 0), v_span=(0, 2, 0), pixels=-1)
 
 
 def test_model_id_map_initialization(run_in_tmpdir):

From e783e014715cfb03df44616fc06e8ac5168f0df1 Mon Sep 17 00:00:00 2001
From: Eden <91745090+EdenRochmanSharabi@users.noreply.github.com>
Date: Sat, 11 Jul 2026 08:18:26 +0200
Subject: [PATCH 2643/2654] Add chain parameter to Material.get_activity for
 half-life data (#3957)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/data/data.py                          | 60 +++++++++++++++++---
 openmc/deplete/results.py                    | 35 ++++++++++--
 openmc/material.py                           | 32 ++++++++---
 tests/unit_tests/test_data_decay.py          | 22 +++----
 tests/unit_tests/test_data_misc.py           | 33 ++++++++++-
 tests/unit_tests/test_deplete_resultslist.py | 31 ++++++++++
 tests/unit_tests/test_material.py            | 31 +++++++++-
 7 files changed, 209 insertions(+), 35 deletions(-)

diff --git a/openmc/data/data.py b/openmc/data/data.py
index c22e54e7d..6e4840990 100644
--- a/openmc/data/data.py
+++ b/openmc/data/data.py
@@ -1,14 +1,23 @@
+from __future__ import annotations
+
 import itertools
 import json
 import os
 import re
 from pathlib import Path
 from math import sqrt, log
+from typing import TYPE_CHECKING, Literal
 from warnings import warn
 
 from endf.data import (ATOMIC_NUMBER, ATOMIC_SYMBOL, ELEMENT_SYMBOL,
                        EV_PER_MEV, K_BOLTZMANN, gnds_name, zam)
 
+import openmc
+from openmc.checkvalue import PathLike
+
+if TYPE_CHECKING:
+    from openmc.deplete import Chain
+
 gnds_name.__module__ = __name__
 zam.__module__ = __name__
 
@@ -296,25 +305,47 @@ def atomic_weight(element):
         raise ValueError(f"No naturally-occurring isotopes for element '{element}'.")
 
 
-def half_life(isotope):
+def half_life(
+    isotope: str,
+    chain_file: Literal[False] | None | PathLike | Chain = False
+) -> float | None:
     """Return half-life of isotope in seconds or None if isotope is stable
 
-    Half-life values are from the `ENDF/B-VIII.0 decay sublibrary
-    <https://www.nndc.bnl.gov/endf-b8.0/download.html>`_.
+    By default, half-life values are from the `ENDF/B-VIII.0 decay sublibrary
+    <https://www.nndc.bnl.gov/endf-b8.0/download.html>`_. A depletion chain can
+    also be used as the source of half-life values.
 
     .. versionadded:: 0.13.1
 
+    .. versionchanged:: 0.15.4
+        Added the ``chain_file`` argument.
+
     Parameters
     ----------
     isotope : str
         Name of isotope, e.g., 'Pu239'
+    chain_file : False, None, PathLike, or openmc.deplete.Chain, optional
+        Source of half-life values. If ``False``, only ENDF/B-VIII.0 data is
+        used. If ``None``, the chain specified by
+        ``openmc.config['chain_file']`` is used when available. If a path or
+        :class:`openmc.deplete.Chain` is given, that chain is used. For ``None``
+        or an explicit chain, nuclides absent from the chain fall back to
+        ENDF/B-VIII.0 data.
 
     Returns
     -------
-    float
-        Half-life of isotope in [s]
+    float or None
+        Half-life of isotope in [s], or None if the isotope is stable
 
     """
+    if chain_file is not False:
+        if chain_file is not None or openmc.config.get('chain_file') is not None:
+            # Local import avoids a circular dependency
+            from openmc.deplete.chain import _get_chain
+            chain = _get_chain(chain_file)
+            if isotope in chain:
+                return chain[isotope].half_life
+
     global _HALF_LIFE
     if not _HALF_LIFE:
         # Load ENDF/B-VIII.0 data from JSON file
@@ -324,7 +355,10 @@ def half_life(isotope):
     return _HALF_LIFE.get(isotope.lower())
 
 
-def decay_constant(isotope):
+def decay_constant(
+    isotope: str,
+    chain_file: Literal[False] | None | PathLike | Chain = False
+) -> float:
     """Return decay constant of isotope in [s^-1]
 
     Decay constants are based on half-life values from the
@@ -333,10 +367,20 @@ def decay_constant(isotope):
 
     .. versionadded:: 0.13.1
 
+    .. versionchanged:: 0.15.4
+        Added the ``chain_file`` argument.
+
     Parameters
     ----------
     isotope : str
         Name of isotope, e.g., 'Pu239'
+    chain_file : False, None, PathLike, or openmc.deplete.Chain, optional
+        Source of half-life values. If ``False``, only ENDF/B-VIII.0 data is
+        used. If ``None``, the chain specified by
+        ``openmc.config['chain_file']`` is used when available. If a path or
+        :class:`openmc.deplete.Chain` is given, that chain is used. For ``None``
+        or an explicit chain, nuclides absent from the chain fall back to
+        ENDF/B-VIII.0 data.
 
     Returns
     -------
@@ -348,7 +392,7 @@ def decay_constant(isotope):
     openmc.data.half_life
 
     """
-    t = half_life(isotope)
+    t = half_life(isotope, chain_file)
     return _LOG_TWO / t if t else 0.0
 
 
@@ -496,5 +540,3 @@ def isotopes(element: str) -> list[tuple[str, float]]:
             result.append(kv)
 
     return result
-
-
diff --git a/openmc/deplete/results.py b/openmc/deplete/results.py
index adb0d3dbc..0cf0141d2 100644
--- a/openmc/deplete/results.py
+++ b/openmc/deplete/results.py
@@ -1,12 +1,17 @@
+from __future__ import annotations
+
 import numbers
 import bisect
 import math
 from collections.abc import Iterable
+from typing import Literal
 from warnings import warn
 
 import h5py
 import numpy as np
 
+import openmc
+from .chain import Chain, _get_chain
 from .stepresult import StepResult, VERSION_RESULTS
 import openmc.checkvalue as cv
 from openmc.data import atomic_mass, AVOGADRO
@@ -103,7 +108,8 @@ class Results(list):
         mat: Material | str,
         units: str = "Bq/cm3",
         by_nuclide: bool = False,
-        volume: float | None = None
+        volume: float | None = None,
+        chain_file: Literal[False] | None | PathLike | Chain = None
     ) -> tuple[np.ndarray, np.ndarray | list[dict]]:
         """Get activity of material over time.
 
@@ -115,22 +121,31 @@ class Results(list):
             Material object or material id to evaluate
         units : {'Bq', 'Bq/g', 'Bq/kg', 'Bq/cm3', 'Bq/m3'}
             Specifies the type of activity to return, options include total
-            activity [Bq], specific [Bq/g, Bq/kg] or volumetric activity [Bq/cm3].
+            activity [Bq], specific [Bq/g, Bq/kg] or volumetric activity
+            [Bq/cm3].
         by_nuclide : bool
             Specifies if the activity should be returned for the material as a
             whole or per nuclide. Default is False.
         volume : float, optional
             Volume of the material. If not passed, defaults to using the
             :attr:`Material.volume` attribute.
+        chain_file : False, None, PathLike, or openmc.deplete.Chain, optional
+            Source of half-life values. If ``False``, only ENDF/B-VIII.0 data is
+            used. If ``None``, the chain specified by
+            ``openmc.config['chain_file']`` is used when available. If a path or
+            :class:`openmc.deplete.Chain` is given, that chain is used. For
+            ``None`` or an explicit chain, nuclides absent from the chain fall
+            back to ENDF/B-VIII.0 data.
+
+            .. versionadded:: 0.15.4
 
         Returns
         -------
         times : numpy.ndarray
             Array of times in [s]
         activities : numpy.ndarray or List[dict]
-            Array of total activities if by_nuclide = False (default)
-            or list of dictionaries of activities by nuclide if
-            by_nuclide = True.
+            Array of total activities if by_nuclide = False (default) or list of
+            dictionaries of activities by nuclide if by_nuclide = True.
 
         """
         if isinstance(mat, Material):
@@ -140,6 +155,13 @@ class Results(list):
         else:
             raise TypeError('mat should be of type openmc.Material or str')
 
+        if chain_file is not False:
+            if chain_file is None:
+                if openmc.config.get('chain_file') is not None:
+                    chain_file = _get_chain(None)
+            else:
+                chain_file = _get_chain(chain_file)
+
         times = np.empty_like(self, dtype=float)
         if by_nuclide:
             activities = [None] * len(self)
@@ -149,7 +171,8 @@ class Results(list):
         # Evaluate activity for each depletion time
         for i, result in enumerate(self):
             times[i] = result.time[0]
-            activities[i] = result.get_material(mat_id).get_activity(units, by_nuclide, volume)
+            activities[i] = result.get_material(mat_id).get_activity(
+                units, by_nuclide, volume, chain_file=chain_file)
 
         return times, activities
 
diff --git a/openmc/material.py b/openmc/material.py
index eded9c3fa..3a92efda2 100644
--- a/openmc/material.py
+++ b/openmc/material.py
@@ -8,7 +8,7 @@ from pathlib import Path
 import re
 import sys
 import tempfile
-from typing import Sequence, Dict
+from typing import TYPE_CHECKING, Literal, Sequence, Dict
 import warnings
 
 import lxml.etree as ET
@@ -28,6 +28,9 @@ from openmc.data.data import _get_element_symbol, JOULE_PER_EV
 from openmc.data.function import Tabulated1D
 from openmc.data import mass_energy_absorption_coefficient, dose_coefficients
 
+if TYPE_CHECKING:
+    from openmc.deplete import Chain
+
 
 # Units for density supported by OpenMC
 DENSITY_UNITS = ('g/cm3', 'g/cc', 'kg/m3', 'atom/b-cm', 'atom/cm3', 'sum',
@@ -1385,8 +1388,13 @@ class Material(IDManagerMixin):
         return densities
 
 
-    def get_activity(self, units: str = 'Bq/cm3', by_nuclide: bool = False,
-                     volume: float | None = None) -> dict[str, float] | float:
+    def get_activity(
+        self,
+        units: str = 'Bq/cm3',
+        by_nuclide: bool = False,
+        volume: float | None = None,
+        chain_file: Literal[False] | None | PathLike | Chain = None
+    ) -> dict[str, float] | float:
         """Return the activity of the material or each nuclide within.
 
         .. versionadded:: 0.13.1
@@ -1405,13 +1413,22 @@ class Material(IDManagerMixin):
             :attr:`Material.volume` attribute.
 
             .. versionadded:: 0.13.3
+        chain_file : False, None, PathLike, or openmc.deplete.Chain, optional
+            Source of half-life values. If ``False``, only ENDF/B-VIII.0 data is
+            used. If ``None``, the chain specified by
+            ``openmc.config['chain_file']`` is used when available. If a path or
+            :class:`openmc.deplete.Chain` is given, that chain is used. For
+            ``None`` or an explicit chain, nuclides absent from the chain fall
+            back to ENDF/B-VIII.0 data.
+
+            .. versionadded:: 0.15.4
 
         Returns
         -------
         Union[dict, float]
-            If by_nuclide is True then a dictionary whose keys are nuclide
-            names and values are activity is returned. Otherwise the activity
-            of the material is returned as a float.
+            If by_nuclide is True then a dictionary whose keys are nuclide names
+            and values are activity is returned. Otherwise the activity of the
+            material is returned as a float.
         """
 
         cv.check_value('units', units, {'Bq', 'Bq/g', 'Bq/kg', 'Bq/cm3', 'Bq/m3', 'Ci', 'Ci/m3'})
@@ -1440,7 +1457,8 @@ class Material(IDManagerMixin):
 
         activity = {}
         for nuclide, atoms_per_bcm in self.get_nuclide_atom_densities().items():
-            inv_seconds = openmc.data.decay_constant(nuclide)
+            inv_seconds = openmc.data.decay_constant(
+                nuclide, chain_file=chain_file)
             activity[nuclide] = inv_seconds * 1e24 * atoms_per_bcm * multiplier
 
         return activity if by_nuclide else sum(activity.values())
diff --git a/tests/unit_tests/test_data_decay.py b/tests/unit_tests/test_data_decay.py
index a48c55325..f81f857e0 100644
--- a/tests/unit_tests/test_data_decay.py
+++ b/tests/unit_tests/test_data_decay.py
@@ -155,16 +155,16 @@ def test_decay_photon_energy():
     with pytest.raises(DataError):
         openmc.data.decay_photon_energy('I135')
 
-    # Set chain file to simple chain
-    openmc.config['chain_file'] = Path(__file__).parents[1] / "chain_simple.xml"
+    # Temporarily Set chain file to simple chain
+    with openmc.config.patch('chain_file', Path(__file__).parents[1] / 'chain_simple.xml'):
 
-    # Check strength of I135 source and presence of specific spectral line
-    src = openmc.data.decay_photon_energy('I135')
-    assert isinstance(src, openmc.stats.Discrete)
-    assert src.integral() == pytest.approx(3.920996223799345e-05)
-    assert 1260409. in src.x
+        # Check strength of I135 source and presence of specific spectral line
+        src = openmc.data.decay_photon_energy('I135')
+        assert isinstance(src, openmc.stats.Discrete)
+        assert src.integral() == pytest.approx(3.920996223799345e-05)
+        assert 1260409. in src.x
 
-    # Check Xe135 source, which should be tabular
-    src = openmc.data.decay_photon_energy('Xe135')
-    assert isinstance(src, openmc.stats.Tabular)
-    assert src.integral() == pytest.approx(2.076506258964966e-05)
+        # Check Xe135 source, which should be tabular
+        src = openmc.data.decay_photon_energy('Xe135')
+        assert isinstance(src, openmc.stats.Tabular)
+        assert src.integral() == pytest.approx(2.076506258964966e-05)
diff --git a/tests/unit_tests/test_data_misc.py b/tests/unit_tests/test_data_misc.py
index 14db68913..320d09eda 100644
--- a/tests/unit_tests/test_data_misc.py
+++ b/tests/unit_tests/test_data_misc.py
@@ -7,6 +7,7 @@ from pathlib import Path
 import numpy as np
 import pytest
 import openmc.data
+from openmc.deplete import Chain, Nuclide
 
 
 def test_data_library(tmpdir):
@@ -134,7 +135,8 @@ def test_zam():
     with pytest.raises(ValueError):
         openmc.data.zam('Am242-m1')
 
-def test_half_life():
+
+def test_half_life(tmp_path):
     assert openmc.data.half_life('H2') is None
     assert openmc.data.half_life('U235') == pytest.approx(2.22102e16)
     assert openmc.data.half_life('Am242') == pytest.approx(57672.0)
@@ -143,3 +145,32 @@ def test_half_life():
     assert openmc.data.decay_constant('U235') == pytest.approx(log(2.0)/2.22102e16)
     assert openmc.data.decay_constant('Am242') == pytest.approx(log(2.0)/57672.0)
     assert openmc.data.decay_constant('Am242_m1') == pytest.approx(log(2.0)/4449622000.0)
+
+    # Create minimal chain with H3 and Am242 to test half-life and decay
+    # constant retrieval from chain file
+    chain = Chain()
+    h3 = Nuclide("H3")
+    h3.half_life = 1.0
+    chain.add_nuclide(h3)
+    am242 = Nuclide("Am242")
+    chain.add_nuclide(am242)
+
+    assert openmc.data.half_life('H3', chain_file=chain) == 1.0
+    assert openmc.data.decay_constant('H3', chain_file=chain) == pytest.approx(log(2.0))
+
+    # Nuclides that are present but stable in the chain should not fall back to
+    # ENDF/B-VIII.0 data.
+    assert openmc.data.half_life('Am242', chain_file=chain) is None
+    assert openmc.data.decay_constant('Am242', chain_file=chain) == 0.0
+
+    # Nuclides missing from the chain fall back to ENDF/B-VIII.0 data.
+    assert openmc.data.half_life('U235', chain_file=chain) == pytest.approx(2.22102e16)
+
+    chain_path = tmp_path / "chain.xml"
+    chain.export_to_xml(chain_path)
+    assert openmc.data.half_life('H3', chain_file=chain_path) == 1.0
+
+    endf_h3 = openmc.data.half_life('H3')
+    with openmc.config.patch('chain_file', chain_path):
+        assert openmc.data.half_life('H3', chain_file=None) == 1.0
+        assert openmc.data.half_life('H3', chain_file=False) == endf_h3
diff --git a/tests/unit_tests/test_deplete_resultslist.py b/tests/unit_tests/test_deplete_resultslist.py
index 39c532c54..bc1a078b0 100644
--- a/tests/unit_tests/test_deplete_resultslist.py
+++ b/tests/unit_tests/test_deplete_resultslist.py
@@ -6,6 +6,7 @@ from pathlib import Path
 import numpy as np
 import pytest
 
+import openmc
 import openmc.deplete
 
 
@@ -38,6 +39,36 @@ def test_get_activity(res):
     np.testing.assert_allclose(a_xe135, a_xe135_ref)
 
 
+def test_get_activity_chain_file(res, tmp_path):
+    """Tests evaluating activity with chain half-life data"""
+    _, a_endf = res.get_activity("1", by_nuclide=True, chain_file=False)
+    xe135_endf = np.array([a["Xe135"] for a in a_endf])
+
+    chain = openmc.deplete.Chain()
+    xe135 = openmc.deplete.Nuclide("Xe135")
+    xe135.half_life = openmc.data.half_life("Xe135") / 2.0
+    chain.add_nuclide(xe135)
+
+    t_chain, a_chain = res.get_activity("1", by_nuclide=True, chain_file=chain)
+    xe135_chain = np.array([a["Xe135"] for a in a_chain])
+
+    t_ref = np.array([0.0, 1296000.0, 2592000.0, 3888000.0])
+    np.testing.assert_allclose(t_chain, t_ref)
+    np.testing.assert_allclose(xe135_chain, 2.0 * xe135_endf)
+
+    chain_path = tmp_path / "chain.xml"
+    chain.export_to_xml(chain_path)
+    with openmc.config.patch('chain_file', chain_path):
+        _, a_config = res.get_activity("1", by_nuclide=True)
+    xe135_config = np.array([a["Xe135"] for a in a_config])
+    np.testing.assert_allclose(xe135_config, xe135_chain)
+
+    stable_chain = openmc.deplete.Chain()
+    stable_chain.add_nuclide(openmc.deplete.Nuclide("Xe135"))
+    _, a_stable = res.get_activity("1", by_nuclide=True, chain_file=stable_chain)
+    assert all(a["Xe135"] == 0.0 for a in a_stable)
+
+
 def test_get_atoms(res):
     """Tests evaluating single nuclide concentration."""
     t, n = res.get_atoms("1", "Xe135")
diff --git a/tests/unit_tests/test_material.py b/tests/unit_tests/test_material.py
index 89dfc03dd..12d363376 100644
--- a/tests/unit_tests/test_material.py
+++ b/tests/unit_tests/test_material.py
@@ -7,7 +7,7 @@ import numpy as np
 
 import openmc
 from openmc.data import decay_photon_energy
-from openmc.deplete import Chain
+from openmc.deplete import Chain, Nuclide
 import openmc.examples
 import openmc.model
 import openmc.stats
@@ -614,6 +614,35 @@ def test_get_activity():
     assert m4.get_activity(units='Ci/m3') == pytest.approx(ci/m3)
 
 
+def test_get_activity_chain_file(tmp_path):
+    m = openmc.Material()
+    m.add_nuclide("H3", 1.0)
+    m.set_density('g/cm3', 1.0)
+
+    chain = Chain()
+    h3 = Nuclide("H3")
+    h3.half_life = 1.0
+    chain.add_nuclide(h3)
+
+    atoms_per_bcm = m.get_nuclide_atom_densities()["H3"]
+    expected = np.log(2.0) * 1e24 * atoms_per_bcm
+
+    assert m.get_activity(chain_file=chain) == pytest.approx(expected)
+
+    chain_path = tmp_path / "chain.xml"
+    chain.export_to_xml(chain_path)
+    assert m.get_activity(chain_file=chain_path) == pytest.approx(expected)
+
+    endf_activity = m.get_activity(chain_file=False)
+    with openmc.config.patch('chain_file', chain_path):
+        assert m.get_activity() == pytest.approx(expected)
+        assert m.get_activity(chain_file=False) == pytest.approx(endf_activity)
+
+    stable_chain = Chain()
+    stable_chain.add_nuclide(Nuclide("H3"))
+    assert m.get_activity(chain_file=stable_chain) == 0.0
+
+
 def test_get_decay_heat():
     # Set chain file for testing
     openmc.config['chain_file'] = Path(__file__).parents[1] / 'chain_simple.xml'

From 243c2495333c4bc15aaa345a2ba33330a66f2caf Mon Sep 17 00:00:00 2001
From: Lewis Gross <43077972+lewisgross1296@users.noreply.github.com>
Date: Wed, 15 Jul 2026 08:57:53 -0500
Subject: [PATCH 2644/2654] normalize new_u after periodic crossing to prevent
 unnormalized direction (#4015)

---
 src/boundary_condition.cpp | 10 ++++++++++
 1 file changed, 10 insertions(+)

diff --git a/src/boundary_condition.cpp b/src/boundary_condition.cpp
index 5bbda4830..d166f1247 100644
--- a/src/boundary_condition.cpp
+++ b/src/boundary_condition.cpp
@@ -38,6 +38,9 @@ void VacuumBC::handle_particle(Particle& p, const Surface& surf) const
 void ReflectiveBC::handle_particle(Particle& p, const Surface& surf) const
 {
   Direction u = surf.reflect(p.r(), p.u(), &p);
+
+  // normalize reflected u to ensure no floating point error leads to
+  // unnormalized directions
   u /= u.norm();
 
   // Handle the effects of the surface albedo on the particle's weight.
@@ -53,6 +56,9 @@ void ReflectiveBC::handle_particle(Particle& p, const Surface& surf) const
 void WhiteBC::handle_particle(Particle& p, const Surface& surf) const
 {
   Direction u = surf.diffuse_reflect(p.r(), p.u(), p.current_seed());
+
+  // normalize outgoing u to ensure no floating point error leads to
+  // unnormalized directions
   u /= u.norm();
 
   // Handle the effects of the surface albedo on the particle's weight.
@@ -241,6 +247,10 @@ void RotationalPeriodicBC::handle_particle(
   new_u[axis_1_idx_] = cos_theta * u[axis_1_idx_] - sin_theta * u[axis_2_idx_];
   new_u[axis_2_idx_] = sin_theta * u[axis_1_idx_] + cos_theta * u[axis_2_idx_];
 
+  // normalize new_u to ensure no floating point error leads to unnormalized
+  // directions
+  new_u /= new_u.norm();
+
   // Handle the effects of the surface albedo on the particle's weight.
   BoundaryCondition::handle_albedo(p, surf);
 

From 16cde42ff4a9261c0f4c76b10d64f1d8906bef0d Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Wed, 15 Jul 2026 16:00:42 -0500
Subject: [PATCH 2645/2654] Enable parent-nuclide tally breakdowns in R2S
 calculations (#4013)

Co-authored-by: GuySten <62616591+GuySten@users.noreply.github.com>
---
 docs/source/usersguide/decay_sources.rst |  24 ++-
 openmc/deplete/r2s.py                    | 183 +++++++++++++++++------
 tests/unit_tests/test_r2s.py             | 120 ++++++++++++++-
 3 files changed, 273 insertions(+), 54 deletions(-)

diff --git a/docs/source/usersguide/decay_sources.rst b/docs/source/usersguide/decay_sources.rst
index 21981fdaa..19f1e5d5f 100644
--- a/docs/source/usersguide/decay_sources.rst
+++ b/docs/source/usersguide/decay_sources.rst
@@ -132,8 +132,9 @@ can be run::
     r2s.run(timesteps, source_rates, bounding_boxes=bounding_boxes)
 
 If not specified otherwise, a photon transport calculation is run at each time
-in the depletion schedule. That means in the case above, we would see three
-photon transport calculations. To specify specific times at which photon
+in the depletion schedule for which a decay photon source exists. Times without
+a decay photon source, such as the initial state of a model containing only
+stable nuclides, are omitted. To specify particular times at which photon
 transport calculations should be run, pass the ``photon_time_indices`` argument.
 For example, if we wanted to run a photon transport calculation only on the last
 time (after the 5 hour decay), we would run::
@@ -141,6 +142,19 @@ time (after the 5 hour decay), we would run::
     r2s.run(timesteps, source_rates, bounding_boxes=bounding_boxes,
             photon_time_indices=[2])
 
+To attribute photon tally results to their parent radionuclides, set
+``by_parent_nuclide=True``. This automatically adds a
+:class:`openmc.ParentNuclideFilter` to every photon tally that does not already
+have one. The filter bins are the union of radionuclides contributing to the
+prepared decay photon sources. The resulting bins can be used directly when
+inspecting the tally results::
+
+    r2s.run(timesteps, source_rates, bounding_boxes=bounding_boxes,
+            photon_time_indices=[2], by_parent_nuclide=True)
+
+    photon_tally = r2s.results['photon_tallies'][2][0]
+    tally_by_parent = photon_tally.get_pandas_dataframe()
+
 After an R2S calculation has been run, the :class:`~openmc.deplete.R2SManager`
 instance will have a ``results`` dictionary that allows you to directly access
 results from each of the steps. It will also write out all the output files into
@@ -148,12 +162,13 @@ a directory that is named "r2s_<timestamp>/". The ``output_dir`` argument to the
 :meth:`~openmc.deplete.R2SManager.run` method enables you to override the
 default output directory name if desired.
 
-The :meth:`~openmc.deplete.R2SManager.run` method actually runs three
+The :meth:`~openmc.deplete.R2SManager.run` method actually runs four
 lower-level methods under the hood::
 
     r2s.step1_neutron_transport(...)
     r2s.step2_activation(...)
-    r2s.step3_photon_transport(...)
+    r2s.step3_photon_source(...)
+    r2s.step4_photon_transport(...)
 
 For users looking for more control over the calculation, these lower-level
 methods can be used in lieu of the :meth:`openmc.deplete.R2SManager.run` method.
@@ -255,4 +270,3 @@ relevant tallies. This can be done with the aid of the
 
     # Apply time correction factors
     tally = d1s.apply_time_correction(dose_tally, factors, time_index)
-
diff --git a/openmc/deplete/r2s.py b/openmc/deplete/r2s.py
index d41e230ee..6c19531e7 100644
--- a/openmc/deplete/r2s.py
+++ b/openmc/deplete/r2s.py
@@ -4,6 +4,7 @@ from contextlib import nullcontext
 import copy
 from datetime import datetime
 import json
+from numbers import Integral
 from pathlib import Path
 
 import numpy as np
@@ -156,6 +157,7 @@ class R2SManager:
         mat_vol_kwargs: dict | None = None,
         run_kwargs: dict | None = None,
         operator_kwargs: dict | None = None,
+        by_parent_nuclide: bool = False,
     ):
         """Run the R2S calculation.
 
@@ -179,7 +181,7 @@ class R2SManager:
             timesteps. For example, if two timesteps are specified, the array of
             times would contain three entries, and [2] would indicate computing
             photon results at the last time. A value of None indicates to run
-            photon transport for each time.
+            photon transport at each time that has a decay photon source.
         output_dir : PathLike, optional
             Path to directory where R2S calculation outputs will be saved. If
             not provided, a timestamped directory 'r2s_YYYY-MM-DDTHH-MM-SS' is
@@ -207,6 +209,11 @@ class R2SManager:
         operator_kwargs : dict, optional
             Additional keyword arguments passed to
             :class:`openmc.deplete.IndependentOperator`.
+        by_parent_nuclide : bool, optional
+            Whether to score photon tallies separately for each parent
+            radionuclide. A :class:`~openmc.ParentNuclideFilter` is added to
+            tallies that do not already contain one, with bins determined from
+            the prepared decay photon sources.
 
         Returns
         -------
@@ -256,9 +263,13 @@ class R2SManager:
                 timesteps, source_rates, timestep_units,
                 output_dir / 'activation', operator_kwargs=operator_kwargs
             )
-            self.step3_photon_transport(
+            self.step3_photon_source(
                 photon_time_indices, bounding_boxes, output_dir / 'photon_transport',
-                mat_vol_kwargs=mat_vol_kwargs, run_kwargs=run_kwargs
+                mat_vol_kwargs=mat_vol_kwargs,
+            )
+            self.step4_photon_transport(
+                output_dir / 'photon_transport', run_kwargs=run_kwargs,
+                by_parent_nuclide=by_parent_nuclide,
             )
 
         return output_dir
@@ -438,23 +449,20 @@ class R2SManager:
         # Get depletion results
         self.results['depletion_results'] = Results(output_path)
 
-    def step3_photon_transport(
+    def step3_photon_source(
         self,
         time_indices: Sequence[int] | None = None,
         bounding_boxes: dict[int, openmc.BoundingBox] | None = None,
         output_dir: PathLike = 'photon_transport',
         mat_vol_kwargs: dict | None = None,
-        run_kwargs: dict | None = None,
     ):
-        """Run the photon transport step.
+        """Create decay photon sources.
 
-        This step performs photon transport calculations using decay photon
-        sources created from the activated materials. For each specified time,
-        it creates appropriate photon sources and runs a transport calculation.
-        In mesh-based mode, the sources are created using the mesh material
-        volumes, while in cell-based mode, they are created using bounding boxes
-        for each cell.  This step will populate the 'photon_tallies' key in the
-        results dictionary.
+        This step creates decay photon sources from the activated materials for
+        each specified time. In mesh-based mode, the sources are created using
+        mesh material volumes, while in cell-based mode, they are created using
+        bounding boxes for each cell. This step will populate the
+        'photon_sources' key in the results dictionary.
 
         Parameters
         ----------
@@ -464,40 +472,54 @@ class R2SManager:
             timesteps. For example, if two timesteps are specified, the array of
             times would contain three entries, and [2] would indicate computing
             photon results at the last time. A value of None indicates to run
-            photon transport for each time.
+            photon transport at each time that has a decay photon source.
         bounding_boxes : dict[int, openmc.BoundingBox], optional
             Dictionary mapping cell IDs to bounding boxes used for spatial
             source sampling in cell-based R2S calculations. Required if method
             is 'cell-based'.
         output_dir : PathLike, optional
-            Path to directory where photon transport outputs will be saved.
+            Path to directory where photon source outputs will be saved.
         mat_vol_kwargs : dict, optional
             Additional keyword arguments passed to
             :meth:`openmc.MeshBase.material_volumes`.
-        run_kwargs : dict, optional
-            Additional keyword arguments passed to :meth:`openmc.Model.run`
-            during the photon transport step. By default, output is disabled.
         """
 
+        # Do not retain sources from an earlier successful call if this source
+        # preparation attempt fails.
+        self.results.pop('photon_sources', None)
+
         # TODO: Automatically determine bounding box for each cell
         if bounding_boxes is None and self.method == 'cell-based':
             raise ValueError("bounding_boxes must be provided for cell-based "
                              "R2S calculations.")
 
-        # Set default run arguments if not provided
-        if run_kwargs is None:
-            run_kwargs = {}
-        run_kwargs.setdefault('output', False)
-
-        # Write out JSON file with tally IDs that can be used for loading
-        # results
         output_dir = Path(output_dir)
         output_dir.mkdir(parents=True, exist_ok=True)
 
-        # Get default time indices if not provided
+        # Determine and validate time indices before preparing source data.
+        n_steps = len(self.results['depletion_results'])
+        implicit_time_indices = time_indices is None
         if time_indices is None:
-            n_steps = len(self.results['depletion_results'])
             time_indices = list(range(n_steps))
+        else:
+            time_indices = list(time_indices)
+            if not time_indices:
+                raise ValueError('time_indices must contain at least one index')
+
+            normalized_indices = []
+            for index in time_indices:
+                if isinstance(index, bool) or not isinstance(index, Integral):
+                    raise TypeError('time_indices must contain only integers')
+                index = int(index)
+                if index < -n_steps or index >= n_steps:
+                    raise IndexError(
+                        f'Photon time index {index} is out of range for '
+                        f'{n_steps} depletion results')
+                normalized_index = index % n_steps
+                normalized_indices.append(normalized_index)
+
+            # Remove duplicates while preserving order
+            time_indices = list(dict.fromkeys(normalized_indices))
 
         # Check whether the photon model is different
         neutron_univ = self.neutron_model.geometry.root_universe
@@ -523,13 +545,6 @@ class R2SManager:
 
             self.results['mesh_material_volumes_photon'] = photon_mmv_list
 
-        if comm.rank == 0:
-            tally_ids = [tally.id for tally in self.photon_model.tallies]
-            with open(output_dir / 'tally_ids.json', 'w') as f:
-                json.dump(tally_ids, f)
-
-        self.results['photon_tallies'] = {}
-
         # Get dictionary of cells in the photon model
         if different_photon_model:
             photon_cells = self.photon_model.geometry.get_all_cells()
@@ -547,16 +562,100 @@ class R2SManager:
                         continue
                 work_items.append((cell, original_mat, bounding_boxes[cell.id]))
 
-        # Ensure photon transport is enabled in settings
+        # Create decay photon sources for each time index
+        photon_sources = {
+            time_index: self._create_photon_sources(time_index, work_items)
+            for time_index in time_indices
+        }
+
+        # Determine if any times have no decay photon sources. If the user
+        # didn't specify any specific time indices, remove those times from the
+        # photon_sources dictionary. If the user did specify time indices, raise
+        # an error if any of those times have no decay photon sources.
+        empty_indices = [
+            time_index for time_index, sources in photon_sources.items()
+            if not sources
+        ]
+        if implicit_time_indices:
+            for time_index in empty_indices:
+                del photon_sources[time_index]
+            if not photon_sources:
+                raise RuntimeError(
+                    'No decay photon sources were found at any depletion time')
+        elif empty_indices:
+            indices = ', '.join(str(index) for index in empty_indices)
+            raise RuntimeError(
+                f'No decay photon source was found for requested time '
+                f'indices: {indices}')
+
+        self.results['photon_sources'] = photon_sources
+
+    def step4_photon_transport(
+        self,
+        output_dir: PathLike = 'photon_transport',
+        run_kwargs: dict | None = None,
+        by_parent_nuclide: bool = False,
+    ):
+        """Run photon transport using prepared decay photon sources.
+
+        This step runs a photon transport calculation for each source list
+        created by :meth:`step3_photon_source`. It will populate the
+        'photon_tallies' key in the results dictionary.
+
+        Parameters
+        ----------
+        output_dir : PathLike, optional
+            Path to directory where photon transport outputs will be saved.
+        run_kwargs : dict, optional
+            Additional keyword arguments passed to :meth:`openmc.Model.run`.
+            By default, output is disabled.
+        by_parent_nuclide : bool, optional
+            Whether to score photon tallies separately for each parent
+            radionuclide. A :class:`~openmc.ParentNuclideFilter` is added to
+            tallies that do not already contain one, with bins determined from
+            the prepared decay photon sources.
+        """
+        if 'photon_sources' not in self.results:
+            raise RuntimeError(
+                'Photon sources must be created with step3_photon_source '
+                'before running photon transport.')
+        photon_sources = self.results['photon_sources']
+        if not photon_sources:
+            raise RuntimeError(
+                'No decay photon sources are available for transport')
+
+        if by_parent_nuclide:
+            radionuclides = sorted({
+                nuclide
+                for sources in photon_sources.values()
+                for source in sources
+                for nuclide in source.energy.nuclides
+            })
+
+            if radionuclides:
+                parent_filter = openmc.ParentNuclideFilter(radionuclides)
+                for tally in self.photon_model.tallies:
+                    if not tally.contains_filter(openmc.ParentNuclideFilter):
+                        tally.filters.append(parent_filter)
+
+        if run_kwargs is None:
+            run_kwargs = {}
+        run_kwargs.setdefault('output', False)
+
+        output_dir = Path(output_dir)
+        output_dir.mkdir(parents=True, exist_ok=True)
+
+        if comm.rank == 0:
+            tally_ids = [tally.id for tally in self.photon_model.tallies]
+            with open(output_dir / 'tally_ids.json', 'w') as f:
+                json.dump(tally_ids, f)
+
+        self.results['photon_tallies'] = {}
+
+        # Ensure photon transport is enabled in settings.
         self.photon_model.settings.photon_transport = True
 
-        for time_index in time_indices:
-            # Convert time_index (which may be negative) to a normal index
-            if time_index < 0:
-                time_index += len(self.results['depletion_results'])
-
-            # Build decay photon sources and assign to the photon model
-            sources = self._create_photon_sources(time_index, work_items)
+        for time_index, sources in photon_sources.items():
             self.photon_model.settings.source = sources
 
             # Run photon transport calculation
diff --git a/tests/unit_tests/test_r2s.py b/tests/unit_tests/test_r2s.py
index 266bd4976..5e617919d 100644
--- a/tests/unit_tests/test_r2s.py
+++ b/tests/unit_tests/test_r2s.py
@@ -33,8 +33,8 @@ def simple_model_and_mesh():
 
     # Simple settings with a point source
     settings = openmc.Settings()
-    settings.batches = 10
-    settings.particles = 1000
+    settings.batches = 2
+    settings.particles = 250
     settings.run_mode = 'fixed source'
     settings.source = openmc.IndependentSource()
     model = openmc.Model(geometry, settings=settings)
@@ -46,6 +46,16 @@ def simple_model_and_mesh():
     return model, (c1, c2), mesh
 
 
+@pytest.fixture
+def source_stage_manager(simple_model_and_mesh):
+    model, (c1, c2), _ = simple_model_and_mesh
+    r2s = R2SManager(model, [c1, c2])
+    r2s.results['depletion_results'] = [None, None]
+    r2s.results['activation_materials'] = [c1.fill, c2.fill]
+    bounding_boxes = {c1.id: c1.bounding_box, c2.id: c2.bounding_box}
+    return r2s, bounding_boxes
+
+
 def test_r2s_mesh_expected_output(simple_model_and_mesh, tmp_path):
     model, (c1, c2), mesh = simple_model_and_mesh
 
@@ -59,9 +69,9 @@ def test_r2s_mesh_expected_output(simple_model_and_mesh, tmp_path):
     outdir = r2s.run(
         timesteps=[(1.0, 'd')],
         source_rates=[1.0],
-        photon_time_indices=[1],
         output_dir=tmp_path,
         chain_file=chain,
+        micro_kwargs={'nuclides': ['Ni58'], 'reactions': ['(n,p)']},
     )
 
     # Check directories and files exist
@@ -73,7 +83,8 @@ def test_r2s_mesh_expected_output(simple_model_and_mesh, tmp_path):
     assert (act / 'depletion_results.h5').exists()
     pt = Path(outdir) / 'photon_transport'
     assert (pt / 'tally_ids.json').exists()
-    assert (pt / 'time_1' / 'statepoint.10.h5').exists()
+    assert not (pt / 'time_0').exists()
+    assert (pt / 'time_1' / 'statepoint.2.h5').exists()
 
     # Basic results structure checks
     assert len(r2s.results['fluxes']) == 2
@@ -82,6 +93,8 @@ def test_r2s_mesh_expected_output(simple_model_and_mesh, tmp_path):
     assert len(r2s.results['mesh_material_volumes'][0]) == 2
     assert len(r2s.results['activation_materials']) == 2
     assert len(r2s.results['depletion_results']) == 2
+    assert list(r2s.results['photon_sources']) == [1]
+    assert r2s.results['photon_sources'][1]
 
     # Check activation materials
     amats = r2s.results['activation_materials']
@@ -125,6 +138,7 @@ def test_r2s_multi_mesh(simple_model_and_mesh, tmp_path):
         photon_time_indices=[1],
         output_dir=tmp_path,
         chain_file=chain,
+        micro_kwargs={'nuclides': ['Ni58'], 'reactions': ['(n,p)']},
     )
 
     # Check that per-mesh MMV files were written
@@ -137,7 +151,7 @@ def test_r2s_multi_mesh(simple_model_and_mesh, tmp_path):
     assert (act / 'depletion_results.h5').exists()
     pt = Path(outdir) / 'photon_transport'
     assert (pt / 'tally_ids.json').exists()
-    assert (pt / 'time_1' / 'statepoint.10.h5').exists()
+    assert (pt / 'time_1' / 'statepoint.2.h5').exists()
 
     # Two meshes, each with 1 element containing both materials →
     # 2 element-material combinations per mesh, 4 total
@@ -167,6 +181,9 @@ def test_r2s_multi_mesh(simple_model_and_mesh, tmp_path):
 
 def test_r2s_cell_expected_output(simple_model_and_mesh, tmp_path):
     model, (c1, c2), _ = simple_model_and_mesh
+    tally = openmc.Tally()
+    tally.scores = ['flux']
+    model.tallies = [tally]
 
     # Use cell-based domains
     r2s = R2SManager(model, [c1, c2])
@@ -180,9 +197,11 @@ def test_r2s_cell_expected_output(simple_model_and_mesh, tmp_path):
         timesteps=[(1.0, 'd')],
         source_rates=[1.0],
         photon_time_indices=[1],
+        by_parent_nuclide=True,
         output_dir=tmp_path,
         bounding_boxes=bounding_boxes,
-        chain_file=chain
+        chain_file=chain,
+        micro_kwargs={'nuclides': ['Ni58'], 'reactions': ['(n,p)']},
     )
 
     # Check directories and files exist
@@ -193,13 +212,15 @@ def test_r2s_cell_expected_output(simple_model_and_mesh, tmp_path):
     assert (act / 'depletion_results.h5').exists()
     pt = Path(outdir) / 'photon_transport'
     assert (pt / 'tally_ids.json').exists()
-    assert (pt / 'time_1' / 'statepoint.10.h5').exists()
+    assert (pt / 'time_1' / 'statepoint.2.h5').exists()
 
     # Basic results structure checks
     assert len(r2s.results['fluxes']) == 2
     assert len(r2s.results['micros']) == 2
     assert len(r2s.results['activation_materials']) == 2
     assert len(r2s.results['depletion_results']) == 2
+    assert r2s.photon_model.tallies[0].contains_filter(
+        openmc.ParentNuclideFilter)
 
     # Check activation materials
     amats = r2s.results['activation_materials']
@@ -217,3 +238,88 @@ def test_r2s_cell_expected_output(simple_model_and_mesh, tmp_path):
     assert len(r2s_loaded.results['micros']) == 2
     assert len(r2s_loaded.results['activation_materials']) == 2
     assert len(r2s_loaded.results['depletion_results']) == 2
+
+
+def test_step4_requires_photon_sources(simple_model_and_mesh, tmp_path):
+    model, (c1, c2), _ = simple_model_and_mesh
+    r2s = R2SManager(model, [c1, c2])
+    output_dir = tmp_path / 'photon'
+
+    with pytest.raises(RuntimeError, match='step3_photon_source'):
+        r2s.step4_photon_transport(output_dir)
+
+    r2s.results['photon_sources'] = {}
+    with pytest.raises(RuntimeError, match='No decay photon sources'):
+        r2s.step4_photon_transport(output_dir)
+
+    assert not output_dir.exists()
+
+
+def test_default_photon_times_skip_empty_sources(
+    source_stage_manager, tmp_path, monkeypatch
+):
+    r2s, bounding_boxes = source_stage_manager
+    source = object()
+    sources_by_time = {0: [], 1: [source]}
+    monkeypatch.setattr(
+        r2s, '_create_photon_sources',
+        lambda time_index, work_items: sources_by_time[time_index])
+
+    r2s.step3_photon_source(
+        bounding_boxes=bounding_boxes, output_dir=tmp_path)
+
+    assert r2s.results['photon_sources'] == {1: [source]}
+
+
+def test_explicit_empty_photon_source_fails(
+    source_stage_manager, tmp_path, monkeypatch
+):
+    r2s, bounding_boxes = source_stage_manager
+    source = object()
+    sources_by_time = {0: [], 1: [source]}
+    monkeypatch.setattr(
+        r2s, '_create_photon_sources',
+        lambda time_index, work_items: sources_by_time[time_index])
+    r2s.results['photon_sources'] = {99: [source]}
+
+    with pytest.raises(RuntimeError, match='requested time indices: 0'):
+        r2s.step3_photon_source(
+            [0, 1], bounding_boxes, output_dir=tmp_path)
+
+    assert 'photon_sources' not in r2s.results
+
+
+def test_default_photon_times_require_a_source(
+    source_stage_manager, tmp_path, monkeypatch
+):
+    r2s, bounding_boxes = source_stage_manager
+    monkeypatch.setattr(
+        r2s, '_create_photon_sources',
+        lambda time_index, work_items: [])
+
+    with pytest.raises(RuntimeError, match='at any depletion time'):
+        r2s.step3_photon_source(
+            bounding_boxes=bounding_boxes, output_dir=tmp_path)
+
+    assert 'photon_sources' not in r2s.results
+
+
+@pytest.mark.parametrize(
+    ('time_indices', 'exception'),
+    [
+        ([], ValueError),
+        ([2], IndexError),
+        ([-3], IndexError),
+        ([1.0], TypeError),
+    ],
+)
+def test_photon_time_index_validation(
+    source_stage_manager, tmp_path, time_indices, exception
+):
+    r2s, bounding_boxes = source_stage_manager
+
+    with pytest.raises(exception):
+        r2s.step3_photon_source(
+            time_indices, bounding_boxes, output_dir=tmp_path)
+
+    assert 'photon_sources' not in r2s.results

From c55c5788125015bfdb621c5e2a822c037b3f4f41 Mon Sep 17 00:00:00 2001
From: Ethan Peterson <ethan.peterson@mit.edu>
Date: Thu, 16 Jul 2026 10:54:56 -0400
Subject: [PATCH 2646/2654] Native parametric tokamak source (#3999)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 docs/source/io_formats/settings.rst        |  80 +++-
 docs/source/pythonapi/base.rst             |   1 +
 docs/source/usersguide/settings.rst        |  47 ++
 include/openmc/math_functions.h            |  14 +
 include/openmc/source.h                    | 136 ++++++
 openmc/source.py                           | 430 ++++++++++++++++++-
 src/distribution.cpp                       |  11 +-
 src/math_functions.cpp                     |  42 ++
 src/source.cpp                             | 474 ++++++++++++++++++++-
 tests/cpp_unit_tests/test_distribution.cpp |  25 ++
 tests/cpp_unit_tests/test_math.cpp         |  15 +
 tests/unit_tests/test_source_tokamak.py    | 263 ++++++++++++
 12 files changed, 1524 insertions(+), 14 deletions(-)
 create mode 100644 tests/unit_tests/test_source_tokamak.py

diff --git a/docs/source/io_formats/settings.rst b/docs/source/io_formats/settings.rst
index fb0215916..7091757f2 100644
--- a/docs/source/io_formats/settings.rst
+++ b/docs/source/io_formats/settings.rst
@@ -777,9 +777,9 @@ attributes/sub-elements:
     *Default*: 1.0
 
   :type:
-    Indicator of source type. One of ``independent``, ``file``, ``compiled``, or
-    ``mesh``. The type of the source will be determined by this attribute if it
-    is present.
+    Indicator of source type. One of ``independent``, ``file``, ``compiled``,
+    ``mesh``, or ``tokamak``. The type of the source will be determined by this
+    attribute if it is present.
 
   :particle:
     The source particle type, specified as a PDG number or a string alias (e.g.,
@@ -1015,6 +1015,80 @@ attributes/sub-elements:
     mesh element and follows the format for :ref:`source_element`. The number of
     ``<source>`` sub-elements should correspond to the number of mesh elements.
 
+  For a source with ``type="tokamak"``, the spatial distribution is described by
+  a Miller-style flux-surface parameterization and the following sub-elements
+  are used instead of the ``space`` element:
+
+  :major_radius:
+    The major radius :math:`R_0` of the plasma in [cm].
+
+  :minor_radius:
+    The minor radius :math:`a` of the plasma in [cm]. Must be smaller than
+    ``major_radius``.
+
+  :elongation:
+    The plasma elongation :math:`\kappa` (must be > 0).
+
+  :triangularity:
+    The plasma triangularity :math:`\delta` (must be in [-1, 1]). Negative
+    values describe negative-triangularity plasmas.
+
+  :shafranov_shift:
+    The Shafranov shift :math:`\Delta` in [cm] (must be >= 0 and less than
+    ``minor_radius``/2).
+
+  :r_over_a:
+    A list of normalized minor-radius grid points :math:`r/a`. Must be strictly
+    increasing, start at 0, and end at 1.
+
+  :emission_density:
+    A list of neutron emission densities :math:`S(r)` evaluated at each
+    ``r_over_a`` grid point (arbitrary units, must be non-negative). Only the
+    shape matters, since the profile is normalized internally. Values are
+    interpolated linearly between grid points and the profile is refined on an
+    internal grid for radial sampling. Must have the same length as
+    ``r_over_a`` and contain at least one positive value.
+
+  :phi_start:
+    The starting toroidal angle in [rad].
+
+    *Default*: 0.0
+
+  :phi_extent:
+    The toroidal angle extent in [rad]. The source is sampled uniformly in
+    :math:`[\phi_\text{start},\ \phi_\text{start} + \phi_\text{extent}]`.
+
+    *Default*: :math:`2\pi`
+
+  :n_alpha:
+    The number of poloidal-angle grid points used to build the sampling CDFs
+    (must be > 2). Larger values reduce discretization bias; values below 51
+    produce a warning.
+
+    *Default*: 101
+
+  :vertical_shift:
+    A vertical shift of the plasma center in [cm].
+
+    *Default*: 0.0
+
+  :energy:
+    For a tokamak source, one or more ``energy`` sub-elements specify the
+    neutron energy distribution(s). Either a single distribution is given (used
+    at all radii) or exactly one distribution per ``r_over_a`` grid point is
+    given, in which case the energy is sampled from one of the two
+    distributions bracketing the sampled radius, selected stochastically with
+    probability proportional to the proximity of the radius to each grid point
+    (stochastic interpolation). Each follows the format of a univariate
+    probability distribution (see :ref:`univariate`).
+
+  :time:
+    An optional ``time`` sub-element specifying the time distribution of source
+    particles, following the format of a univariate probability distribution
+    (see :ref:`univariate`).
+
+    *Default*: particles are born at :math:`t=0`
+
   .. note:: Biased sampling can be applied to the spatial and energy distributions
             of a source by using the ``<bias>`` sub-element (see
             :ref:`univariate` for details on how to specify bias distributions).
diff --git a/docs/source/pythonapi/base.rst b/docs/source/pythonapi/base.rst
index b3911c8b3..f06a1eba4 100644
--- a/docs/source/pythonapi/base.rst
+++ b/docs/source/pythonapi/base.rst
@@ -26,6 +26,7 @@ Simulation Settings
    openmc.FileSource
    openmc.CompiledSource
    openmc.MeshSource
+   openmc.TokamakSource
    openmc.SourceParticle
    openmc.VolumeCalculation
    openmc.Settings
diff --git a/docs/source/usersguide/settings.rst b/docs/source/usersguide/settings.rst
index e8514b856..6faeb59e1 100644
--- a/docs/source/usersguide/settings.rst
+++ b/docs/source/usersguide/settings.rst
@@ -291,6 +291,53 @@ example, the following would generate a photon source::
 For a full list of all classes related to statistical distributions, see
 :ref:`pythonapi_stats`.
 
+Tokamak Plasma Sources
+----------------------
+
+For fusion applications, the :class:`openmc.TokamakSource` class provides a
+native parametric neutron source for tokamak plasmas. Rather than specifying
+spatial, angular, and energy distributions separately, the source is defined by
+the plasma geometry (using a `Miller-style flux-surface parameterization
+<https://doi.org/10.1063/1.872666>`_) and a radial emission profile. Source
+sites are sampled directly from the plasma volume without rejection.
+
+The plasma shape is described by the major radius :math:`R_0`, minor radius
+:math:`a`, elongation :math:`\kappa`, triangularity :math:`\delta`, and
+Shafranov shift :math:`\Delta`. The neutron birth profile is given as an
+emission density :math:`S(r/a)` tabulated on a normalized minor-radius grid that
+runs from 0 (magnetic axis) to 1 (last closed flux surface); only the shape of
+the profile matters, since it is normalized internally. The emission density is
+linearly interpolated between the supplied points and refined internally for
+radial sampling. For example::
+
+  import numpy as np
+
+  r_over_a = np.linspace(0.0, 1.0, 50)
+  emission = (1.0 - r_over_a**2)**2  # peaked on-axis profile
+
+  source = openmc.TokamakSource(
+      major_radius=620.0,    # cm
+      minor_radius=200.0,    # cm
+      elongation=1.8,
+      triangularity=0.45,
+      shafranov_shift=10.0,  # cm
+      r_over_a=r_over_a,
+      emission_density=emission,
+      energy=openmc.stats.muir(e0=14.08e6, m_rat=5.0, kt=20000.0),
+  )
+
+  settings.source = source
+
+The ``energy`` argument accepts either a single
+:class:`~openmc.stats.Univariate` distribution applied at all radii, or a
+sequence with one distribution per ``r_over_a`` grid point to model a
+radially-varying neutron spectrum (energies are then sampled by stochastic
+interpolation between the two distributions bracketing the sampled radius). A
+time distribution can be given with the ``time`` argument; by default, particles
+are born at :math:`t=0`. The toroidal extent can be restricted with
+``phi_start`` and ``phi_extent`` to model a sector of the plasma, and
+``vertical_shift`` translates the plasma center along the z-axis.
+
 File-based Sources
 ------------------
 
diff --git a/include/openmc/math_functions.h b/include/openmc/math_functions.h
index f322ad28a..d3bccca7b 100644
--- a/include/openmc/math_functions.h
+++ b/include/openmc/math_functions.h
@@ -213,6 +213,20 @@ double exprel(double x);
 //! \return log(1+x)/x without loss of precision near 0
 double log1prel(double x);
 
+//! Evaluate the cylindrical Bessel function of the first kind J_n(x)
+//!
+//! Uses std::cyl_bessel_j where available (e.g., libstdc++). On standard
+//! library implementations lacking the C++17 special math functions (e.g.,
+//! libc++ on Apple Clang/LLVM), falls back to the ascending power series,
+//! which converges to machine precision for the small arguments (|x| <= 2)
+//! used in OpenMC. Unlike std::cyl_bessel_j, negative arguments are handled
+//! via the parity relation J_n(-x) = (-1)^n J_n(x).
+//!
+//! \param n Non-negative integer order of the Bessel function
+//! \param x Real argument
+//! \return J_n(x)
+double cyl_bessel_j(int n, double x);
+
 //! Helper function to get index and interpolation function on an incident
 //! energy grid
 //!
diff --git a/include/openmc/source.h b/include/openmc/source.h
index e307b1ed2..51b54a1d1 100644
--- a/include/openmc/source.h
+++ b/include/openmc/source.h
@@ -7,9 +7,12 @@
 #include <atomic>
 #include <limits>
 #include <unordered_set>
+#include <utility> // for pair
 
 #include "pugixml.hpp"
 
+#include "openmc/array.h"
+#include "openmc/distribution.h"
 #include "openmc/distribution_multi.h"
 #include "openmc/distribution_spatial.h"
 #include "openmc/memory.h"
@@ -260,6 +263,139 @@ private:
   vector<unique_ptr<IndependentSource>> sources_; //!< Source distributions
 };
 
+//==============================================================================
+//! Parametric tokamak plasma neutron source
+//!
+//! This source samples neutron positions from a tokamak plasma geometry using
+//! Miller-style flux surface parameterization with user-specified emission
+//! profiles and energy distributions.
+//!
+//! Flux surface parameterization:
+//!   R = R0 + r*cos(alpha + delta*sin(alpha)) + Delta*(1 - (r/a)^2)
+//!   Z = kappa * r * sin(alpha)
+//!
+//! The sampling algorithm:
+//! 1. Sample minor radius r from precomputed CDF of S(r) * Jacobian
+//! 2. Sample poloidal angle alpha from conditional P(alpha|r) using mixture
+//!    of precomputed CDFs weighted by functions of r
+//! 3. Sample energy and time from user-provided distribution(s)
+//! 4. Sample isotropic direction
+//! 5. Sample toroidal angle phi uniformly in [phi_start, phi_start +
+//! phi_extent]
+//! 6. Transform (r, alpha, phi) to Cartesian (x, y, z), applying the optional
+//!    vertical shift of the plasma center
+//!
+//! The user provides the emission density S(r) directly (e.g., from transport
+//! codes like TRANSP, ASTRA, etc.), allowing full flexibility in reaction
+//! physics calculations. S(r) is a profile in arbitrary units sampled on the
+//! r_over_a grid; only its shape matters, since it is normalized internally.
+//! Energy distributions can be specified as either a single distribution for
+//! all r, or one distribution per radial point.
+//==============================================================================
+
+class TokamakSource : public Source {
+public:
+  // Constructors
+  explicit TokamakSource(pugi::xml_node node);
+
+  //! Sample from the tokamak source distribution
+  //! \param[inout] seed Pseudorandom seed pointer
+  //! \return Sampled site
+  SourceSite sample(uint64_t* seed) const override;
+
+private:
+  //==========================================================================
+  // Private methods
+
+  //! Precompute data structures for efficient sampling
+  void precompute_sampling_distributions();
+
+  //! Sample minor radius from marginal CDF
+  //! \param seed Pseudorandom seed pointer
+  //! \return Sampled r/a value
+  double sample_r_over_a(uint64_t* seed) const;
+
+  //! Sample poloidal angle given r using mixture of precomputed CDFs
+  //! \param r_norm Normalized minor radius r/a
+  //! \param seed Pseudorandom seed pointer
+  //! \return Sampled poloidal angle alpha [rad]
+  double sample_poloidal_angle(double r_norm, uint64_t* seed) const;
+
+  //! Compute the k-th mixture weight w_k(r) * I_hat_k for poloidal sampling
+  //! \param k Basis function index (0-5)
+  //! \param r Normalized minor radius r/a
+  //! \return Mixture weight for component k
+  double mixture_weight(int k, double r) const;
+
+  //! Sample energy from the distribution(s)
+  //! \param r_norm Normalized minor radius r/a (for distribution selection)
+  //! \param seed Pseudorandom seed pointer
+  //! \return (Sampled energy [eV], importance weight)
+  std::pair<double, double> sample_energy(double r_norm, uint64_t* seed) const;
+
+  //! Transform from flux coordinates (r, alpha, phi) to Cartesian (x, y, z)
+  //! \param r Minor radius [cm]
+  //! \param alpha Poloidal angle [rad]
+  //! \param phi Toroidal angle [rad]
+  //! \return Position in Cartesian coordinates [cm]
+  Position flux_to_cartesian(double r, double alpha, double phi) const;
+
+  //==========================================================================
+  // Data members
+
+  // Emission profile (input)
+  vector<double> r_over_a_;         //!< Normalized minor radius grid points
+  vector<double> emission_density_; //!< Emission density S(r) at grid points
+
+  // Energy distribution(s): either 1 for all r, or one per r point
+  vector<unique_ptr<Distribution>> energy_dists_;
+
+  // Time distribution (defaults to a delta distribution at t=0)
+  UPtrDist time_;
+
+  // Angular distribution (isotropic)
+  UPtrAngle angle_;
+
+  // Tokamak geometry parameters
+  double major_radius_;    //!< Major radius R0 [cm]
+  double minor_radius_;    //!< Minor radius a [cm]
+  double elongation_;      //!< Elongation kappa
+  double triangularity_;   //!< Triangularity delta
+  double shafranov_shift_; //!< Shafranov shift Delta [cm]
+  double vertical_shift_;  //!< Vertical shift of plasma center [cm]
+
+  // Normalized geometry parameters (precomputed for efficiency)
+  double epsilon_;     //!< Inverse aspect ratio a/R0
+  double delta_tilde_; //!< Normalized Shafranov shift Delta/a
+
+  // Toroidal angle bounds
+  double phi_start_;  //!< Starting toroidal angle [rad]
+  double phi_extent_; //!< Toroidal angle extent [rad]
+
+  // Precomputed distribution for radial sampling
+  unique_ptr<Tabular> radial_dist_;
+
+  // Coefficients of the radial geometric polynomial: A*r - B*r^2 - C*r^3
+  // Also used as the analytical normalization for poloidal mixture weights
+  double radial_poly_a_; //!< 1 + ε·Δ̃
+  double radial_poly_b_; //!< (3/8)·c₁·ε
+  double radial_poly_c_; //!< 2·ε·Δ̃
+
+  // Precomputed Bernstein basis functions for poloidal angle sampling.
+  // Using the factorization f(r_tilde, alpha) = R_tilde x J_tilde where:
+  //   R_tilde = b0*(1-r)^2 + 2*b1*r*(1-r) + b2*r^2  (Bernstein quadratic)
+  //   J_tilde = b3*(1-r) + b4*r                      (Bernstein linear)
+  // The product gives 6 non-negative basis functions g_k(alpha) with
+  // weights w_k(r_tilde) that are products of Bernstein polynomials.
+  // Distributions are tabulated on [0, pi] exploiting up-down symmetry.
+  static constexpr int N_POLOIDAL_BASIS = 6; //!< Number of basis functions
+  int n_alpha_; //!< Number of poloidal angle grid points
+  array<unique_ptr<Tabular>, N_POLOIDAL_BASIS>
+    poloidal_dists_; //!< Distributions for each basis function g_k(alpha)
+  array<double, N_POLOIDAL_BASIS>
+    poloidal_integrals_; //!< Integrals of g_k(alpha) over [0, pi]
+};
+
 //==============================================================================
 // Functions
 //==============================================================================
diff --git a/openmc/source.py b/openmc/source.py
index a11cfd6c8..5947540d6 100644
--- a/openmc/source.py
+++ b/openmc/source.py
@@ -1,7 +1,7 @@
 from __future__ import annotations
 from abc import ABC, abstractmethod
 from collections.abc import Iterable, Sequence
-from numbers import Real
+from numbers import Integral, Real
 from pathlib import Path
 import warnings
 from typing import Any
@@ -46,7 +46,7 @@ class SourceBase(ABC):
 
     Attributes
     ----------
-    type : {'independent', 'file', 'compiled', 'mesh'}
+    type : {'independent', 'file', 'compiled', 'mesh', 'tokamak'}
         Indicator of source type.
     strength : float
         Strength of the source
@@ -203,6 +203,8 @@ class SourceBase(ABC):
                 return FileSource.from_xml_element(elem)
             elif source_type == 'mesh':
                 return MeshSource.from_xml_element(elem, meshes)
+            elif source_type == 'tokamak':
+                return TokamakSource.from_xml_element(elem)
             else:
                 raise ValueError(
                     f'Source type {source_type} is not recognized')
@@ -896,6 +898,430 @@ class FileSource(SourceBase):
         return cls(**kwargs)
 
 
+class TokamakSource(SourceBase):
+    r"""A source representing neutron emission from a tokamak plasma.
+
+    This source samples neutron positions from a tokamak plasma geometry using
+    Miller-style flux surface parameterization. The user provides an emission
+    profile S(r/a) as a function of normalized minor radius, along with one or
+    more energy distributions.
+
+    The flux surface parameterization is
+
+    .. math::
+
+        \begin{aligned}
+        R &= R_0 + r \cos\left(\alpha + \delta \sin\alpha\right)
+             + \Delta \left[1 - \left(\frac{r}{a}\right)^2\right] \\
+        Z &= Z_\mathrm{shift} + \kappa r \sin\alpha
+        \end{aligned}
+
+    where :math:`R_0` is major radius, :math:`a` is minor radius,
+    :math:`\kappa` is elongation, :math:`\delta` is triangularity,
+    :math:`\Delta` is the Shafranov shift, and :math:`Z_\mathrm{shift}` is
+    the vertical shift.
+
+    .. versionadded:: 0.15.4
+
+    Parameters
+    ----------
+    major_radius : float
+        Major radius R0 in [cm]
+    minor_radius : float
+        Minor radius a in [cm]
+    elongation : float
+        Plasma elongation κ (must be > 0)
+    triangularity : float
+        Plasma triangularity δ (must be in [-1, 1])
+    shafranov_shift : float
+        Shafranov shift Δ in [cm] (must be >= 0 and < a/2)
+    r_over_a : numpy.ndarray
+        Normalized minor radius grid points, must start at 0 and end at 1
+    emission_density : numpy.ndarray
+        Emission density S(r) at each r/a point (arbitrary units, must be >= 0).
+        Values are linearly interpolated between grid points and refined on an
+        internal grid for radial sampling. Must have the same length as
+        ``r_over_a`` and contain at least one positive value.
+    energy : openmc.stats.Univariate or Sequence[openmc.stats.Univariate]
+        Energy distribution(s). Either a single distribution used at all radii,
+        or one distribution per ``r_over_a`` grid point. When one distribution
+        per grid point is given, the energy of a sampled particle is drawn from
+        one of the two distributions bracketing its sampled radius, selected
+        stochastically with probability proportional to the proximity of the
+        radius to each grid point (stochastic interpolation).
+    time : openmc.stats.Univariate, optional
+        Time distribution of the source. If None, particles are born at
+        :math:`t=0`, matching the default behavior of
+        :class:`openmc.IndependentSource`.
+    phi_start : float
+        Starting toroidal angle in [rad] (default: 0)
+    phi_extent : float
+        Toroidal angle extent in [rad] (default: 2π)
+    n_alpha : int
+        Number of poloidal angle grid points for CDF sampling (default: 101)
+    vertical_shift : float
+        Vertical shift of the plasma center in [cm] (default: 0)
+    strength : float
+        Strength of the source (default: 1.0)
+    constraints : dict
+        Constraints on sampled source particles. See :class:`SourceBase` for
+        valid keys and values.
+
+    Attributes
+    ----------
+    major_radius : float
+        Major radius R0 in [cm]
+    minor_radius : float
+        Minor radius a in [cm]
+    elongation : float
+        Plasma elongation κ
+    triangularity : float
+        Plasma triangularity δ
+    shafranov_shift : float
+        Shafranov shift Δ in [cm]
+    r_over_a : numpy.ndarray
+        Normalized minor radius grid points
+    emission_density : numpy.ndarray
+        Emission density S(r) at each r/a point
+    energy : list of openmc.stats.Univariate
+        Energy distribution(s)
+    time : openmc.stats.Univariate or None
+        Time distribution of the source
+    phi_start : float
+        Starting toroidal angle in [rad]
+    phi_extent : float
+        Toroidal angle extent in [rad]
+    n_alpha : int
+        Number of poloidal angle grid points
+    vertical_shift : float
+        Vertical shift of the plasma center in [cm]
+    strength : float
+        Strength of the source
+    type : str
+        Indicator of source type: 'tokamak'
+    constraints : dict
+        Constraints on sampled source particles
+
+    """
+
+    def __init__(
+        self,
+        major_radius: float,
+        minor_radius: float,
+        elongation: float,
+        triangularity: float,
+        shafranov_shift: float,
+        r_over_a: Sequence[float],
+        emission_density: Sequence[float],
+        energy: Univariate | Sequence[Univariate],
+        time: Univariate | None = None,
+        phi_start: float = 0.0,
+        phi_extent: float = 2.0 * np.pi,
+        n_alpha: int = 101,
+        vertical_shift: float = 0.0,
+        strength: float = 1.0,
+        constraints: dict[str, Any] | None = None
+    ):
+        super().__init__(strength=strength, constraints=constraints)
+        self.major_radius = major_radius
+        self.minor_radius = minor_radius
+        self.elongation = elongation
+        self.triangularity = triangularity
+        self.shafranov_shift = shafranov_shift
+        self.r_over_a = r_over_a
+        self.emission_density = emission_density
+        self.phi_start = phi_start
+        self.phi_extent = phi_extent
+        self.n_alpha = n_alpha
+        self.vertical_shift = vertical_shift
+        self.energy = energy
+        self.time = time
+
+        self._validate()
+
+    def _validate(self):
+        """Validate relationships between tokamak source parameters."""
+        if self.minor_radius >= self.major_radius:
+            raise ValueError(
+                f"minor_radius ({self.minor_radius}) must be smaller than "
+                f"major_radius ({self.major_radius})")
+        if self.shafranov_shift >= 0.5 * self.minor_radius:
+            raise ValueError(
+                f"shafranov_shift ({self.shafranov_shift}) must be smaller "
+                f"than half the minor_radius ({0.5 * self.minor_radius})")
+        if len(self.emission_density) != len(self.r_over_a):
+            raise ValueError(
+                f"emission_density (length {len(self.emission_density)}) must "
+                f"have the same length as r_over_a (length {len(self.r_over_a)})")
+        if not np.any(self.emission_density > 0.0):
+            raise ValueError("emission_density must contain a positive value")
+        if len(self.energy) not in (1, len(self.r_over_a)):
+            raise ValueError(
+                f"Number of energy distributions ({len(self.energy)}) must be "
+                f"either 1 or equal to the number of r_over_a grid points "
+                f"({len(self.r_over_a)})")
+
+    @property
+    def type(self) -> str:
+        return "tokamak"
+
+    @property
+    def major_radius(self) -> float:
+        return self._major_radius
+
+    @major_radius.setter
+    def major_radius(self, value: float):
+        cv.check_type('major radius', value, Real)
+        cv.check_greater_than('major radius', value, 0.0)
+        self._major_radius = value
+
+    @property
+    def minor_radius(self) -> float:
+        return self._minor_radius
+
+    @minor_radius.setter
+    def minor_radius(self, value: float):
+        cv.check_type('minor radius', value, Real)
+        cv.check_greater_than('minor radius', value, 0.0)
+        self._minor_radius = value
+
+    @property
+    def elongation(self) -> float:
+        return self._elongation
+
+    @elongation.setter
+    def elongation(self, value: float):
+        cv.check_type('elongation', value, Real)
+        cv.check_greater_than('elongation', value, 0.0)
+        self._elongation = value
+
+    @property
+    def triangularity(self) -> float:
+        return self._triangularity
+
+    @triangularity.setter
+    def triangularity(self, value: float):
+        cv.check_type('triangularity', value, Real)
+        cv.check_greater_than('triangularity', value, -1.0, equality=True)
+        cv.check_less_than('triangularity', value, 1.0, equality=True)
+        self._triangularity = value
+
+    @property
+    def shafranov_shift(self) -> float:
+        return self._shafranov_shift
+
+    @shafranov_shift.setter
+    def shafranov_shift(self, value: float):
+        cv.check_type('Shafranov shift', value, Real)
+        cv.check_greater_than('Shafranov shift', value, 0.0, equality=True)
+        self._shafranov_shift = value
+
+    @property
+    def r_over_a(self) -> np.ndarray:
+        return self._r_over_a
+
+    @r_over_a.setter
+    def r_over_a(self, value: Sequence[float]):
+        value = np.asarray(value, dtype=float)
+        if value.ndim != 1 or len(value) < 2:
+            raise ValueError("r_over_a must be a 1-D array with at least 2 points")
+        if value[0] != 0.0:
+            raise ValueError("r_over_a must start at 0")
+        if value[-1] != 1.0:
+            raise ValueError("r_over_a must end at 1")
+        if not np.all(np.diff(value) > 0):
+            raise ValueError("r_over_a must be strictly increasing")
+        self._r_over_a = value
+
+    @property
+    def emission_density(self) -> np.ndarray:
+        return self._emission_density
+
+    @emission_density.setter
+    def emission_density(self, value: Sequence[float]):
+        value = np.asarray(value, dtype=float)
+        if value.ndim != 1:
+            raise ValueError("emission_density must be a 1-D array")
+        if np.any(value < 0):
+            raise ValueError("emission_density values cannot be negative")
+        self._emission_density = value
+
+    @property
+    def energy(self) -> list[Univariate]:
+        return self._energy
+
+    @energy.setter
+    def energy(self, value: Univariate | Sequence[Univariate]):
+        if isinstance(value, Univariate):
+            self._energy = [value]
+        else:
+            cv.check_iterable_type('energy distributions', value, Univariate)
+            self._energy = list(value)
+
+    @property
+    def time(self) -> Univariate | None:
+        return self._time
+
+    @time.setter
+    def time(self, value: Univariate | None):
+        if value is not None:
+            cv.check_type('time distribution', value, Univariate)
+        self._time = value
+
+    @property
+    def phi_start(self) -> float:
+        return self._phi_start
+
+    @phi_start.setter
+    def phi_start(self, value: float):
+        cv.check_type('phi_start', value, Real)
+        self._phi_start = value
+
+    @property
+    def phi_extent(self) -> float:
+        return self._phi_extent
+
+    @phi_extent.setter
+    def phi_extent(self, value: float):
+        cv.check_type('phi_extent', value, Real)
+        cv.check_greater_than('phi_extent', value, 0.0)
+        cv.check_less_than('phi_extent', value, 2.0 * np.pi, equality=True)
+        self._phi_extent = value
+
+    @property
+    def n_alpha(self) -> int:
+        return self._n_alpha
+
+    @n_alpha.setter
+    def n_alpha(self, value: int):
+        cv.check_type('n_alpha', value, Integral)
+        cv.check_greater_than('n_alpha', value, 2)
+        if value < 51:
+            warnings.warn(
+                "n_alpha values below 51 may introduce noticeable "
+                "discretization bias in tokamak source sampling", stacklevel=2)
+        self._n_alpha = value
+
+    @property
+    def vertical_shift(self) -> float:
+        return self._vertical_shift
+
+    @vertical_shift.setter
+    def vertical_shift(self, value: float):
+        cv.check_type('vertical shift', value, Real)
+        self._vertical_shift = value
+
+    def populate_xml_element(self, element):
+        """Add necessary tokamak source information to an XML element
+
+        Returns
+        -------
+        element : lxml.etree._Element
+            XML element containing source data
+
+        """
+        self._validate()
+
+        # Geometry parameters
+        ET.SubElement(element, "major_radius").text = str(self.major_radius)
+        ET.SubElement(element, "minor_radius").text = str(self.minor_radius)
+        ET.SubElement(element, "elongation").text = str(self.elongation)
+        ET.SubElement(element, "triangularity").text = str(self.triangularity)
+        ET.SubElement(element, "shafranov_shift").text = str(self.shafranov_shift)
+
+        # Toroidal angle bounds
+        ET.SubElement(element, "phi_start").text = str(self.phi_start)
+        ET.SubElement(element, "phi_extent").text = str(self.phi_extent)
+
+        # Poloidal sampling resolution
+        ET.SubElement(element, "n_alpha").text = str(self.n_alpha)
+
+        # Vertical shift
+        if self.vertical_shift != 0.0:
+            ET.SubElement(element, "vertical_shift").text = str(self.vertical_shift)
+
+        # Emission profile
+        ET.SubElement(element, "r_over_a").text = ' '.join(str(r) for r in self.r_over_a)
+        ET.SubElement(element, "emission_density").text = ' '.join(str(s) for s in self.emission_density)
+
+        # Energy distribution(s)
+        for dist in self.energy:
+            element.append(dist.to_xml_element('energy'))
+
+        # Time distribution
+        if self.time is not None:
+            element.append(self.time.to_xml_element('time'))
+
+    @classmethod
+    def from_xml_element(cls, elem: ET.Element) -> TokamakSource:
+        """Generate tokamak source from an XML element
+
+        Parameters
+        ----------
+        elem : lxml.etree._Element
+            XML element
+
+        Returns
+        -------
+        openmc.TokamakSource
+            Source generated from XML element
+
+        """
+        # Read geometry parameters
+        major_radius = float(get_text(elem, 'major_radius'))
+        minor_radius = float(get_text(elem, 'minor_radius'))
+        elongation = float(get_text(elem, 'elongation'))
+        triangularity = float(get_text(elem, 'triangularity'))
+        shafranov_shift = float(get_text(elem, 'shafranov_shift'))
+
+        # Read optional parameters
+        phi_start_text = get_text(elem, 'phi_start')
+        phi_start = float(phi_start_text) if phi_start_text else 0.0
+
+        phi_extent_text = get_text(elem, 'phi_extent')
+        phi_extent = float(phi_extent_text) if phi_extent_text else 2.0 * np.pi
+
+        n_alpha_text = get_text(elem, 'n_alpha')
+        n_alpha = int(n_alpha_text) if n_alpha_text else 101
+
+        vertical_shift_text = get_text(elem, 'vertical_shift')
+        vertical_shift = float(vertical_shift_text) if vertical_shift_text else 0.0
+
+        # Read emission profile
+        r_over_a = np.array([float(x) for x in get_text(elem, 'r_over_a').split()])
+        emission_density = np.array([float(x) for x in get_text(elem, 'emission_density').split()])
+
+        # Read energy distributions
+        energy = [Univariate.from_xml_element(e) for e in elem.findall('energy')]
+        if len(energy) == 1:
+            energy = energy[0]
+
+        # Read time distribution
+        time_elem = elem.find('time')
+        time = Univariate.from_xml_element(time_elem) if time_elem is not None else None
+
+        # Read constraints and strength
+        constraints = cls._get_constraints(elem)
+        strength_text = get_text(elem, 'strength')
+        strength = float(strength_text) if strength_text else 1.0
+
+        return cls(
+            major_radius=major_radius,
+            minor_radius=minor_radius,
+            elongation=elongation,
+            triangularity=triangularity,
+            shafranov_shift=shafranov_shift,
+            r_over_a=r_over_a,
+            emission_density=emission_density,
+            energy=energy,
+            time=time,
+            phi_start=phi_start,
+            phi_extent=phi_extent,
+            n_alpha=n_alpha,
+            vertical_shift=vertical_shift,
+            strength=strength,
+            constraints=constraints
+        )
 
 
 class SourceParticle:
diff --git a/src/distribution.cpp b/src/distribution.cpp
index 7f5b498ad..cbdd13127 100644
--- a/src/distribution.cpp
+++ b/src/distribution.cpp
@@ -552,14 +552,9 @@ double Tabular::sample_unbiased(uint64_t* seed) const
   double c = prn(seed);
 
   // Find first CDF bin which is above the sampled value
-  double c_i = c_[0];
-  int i;
-  std::size_t n = c_.size();
-  for (i = 0; i < n - 1; ++i) {
-    if (c <= c_[i + 1])
-      break;
-    c_i = c_[i + 1];
-  }
+  auto c_iter = std::lower_bound(c_.begin() + 1, c_.end(), c);
+  int i = std::distance(c_.begin(), c_iter) - 1;
+  double c_i = c_[i];
 
   // Determine bounding PDF values
   double x_i = x_[i];
diff --git a/src/math_functions.cpp b/src/math_functions.cpp
index 3befa8bc2..ddacc2bd9 100644
--- a/src/math_functions.cpp
+++ b/src/math_functions.cpp
@@ -1,5 +1,7 @@
 #include "openmc/math_functions.h"
 
+#include <limits> // for numeric_limits
+
 #include "openmc/external/Faddeeva.hh"
 
 #include "openmc/constants.h"
@@ -944,6 +946,46 @@ double log1prel(double x)
   }
 }
 
+double cyl_bessel_j(int n, double x)
+{
+  // Handle negative arguments via the parity relation
+  // J_n(-x) = (-1)^n J_n(x); std::cyl_bessel_j has a domain error for x < 0.
+  double sign = 1.0;
+  if (x < 0.0) {
+    x = -x;
+    if (n % 2 == 1)
+      sign = -1.0;
+  }
+
+#if defined(__cpp_lib_math_special_functions) &&                               \
+  __cpp_lib_math_special_functions >= 201603L
+  return sign * std::cyl_bessel_j(static_cast<double>(n), x);
+#else
+  // Ascending power series (e.g., Abramowitz & Stegun eq. 9.1.10):
+  //   J_n(x) = sum_{m=0}^inf (-1)^m / (m! (m+n)!) * (x/2)^(2m+n)
+  // The term ratio is -(x/2)^2 / (m*(m+n)), so for |x| <= 2 the series
+  // converges to machine precision within ~20 terms.
+  double half_x = 0.5 * x;
+
+  // First term: (x/2)^n / n!
+  double term = 1.0;
+  for (int k = 1; k <= n; ++k) {
+    term *= half_x / k;
+  }
+
+  double sum = term;
+  double neg_half_x_sq = -half_x * half_x;
+  for (int m = 1; m <= 50; ++m) {
+    term *= neg_half_x_sq / (m * (m + n));
+    sum += term;
+    if (std::abs(term) <=
+        std::numeric_limits<double>::epsilon() * std::abs(sum))
+      break;
+  }
+  return sign * sum;
+#endif
+}
+
 // Helper function to get index and interpolation function on an incident energy
 // grid
 void get_energy_index(
diff --git a/src/source.cpp b/src/source.cpp
index 1e783b623..12bbdf84e 100644
--- a/src/source.cpp
+++ b/src/source.cpp
@@ -4,7 +4,9 @@
 #define HAS_DYNAMIC_LINKING
 #endif
 
-#include <utility> // for move
+#include <algorithm> // for max
+#include <cmath>     // for sin, cos, abs
+#include <utility>   // for move
 
 #ifdef HAS_DYNAMIC_LINKING
 #include <dlfcn.h> // for dlopen, dlsym, dlclose, dlerror
@@ -16,17 +18,20 @@
 #include "openmc/bank.h"
 #include "openmc/capi.h"
 #include "openmc/cell.h"
+#include "openmc/constants.h"
 #include "openmc/container_util.h"
 #include "openmc/error.h"
 #include "openmc/file_utils.h"
 #include "openmc/geometry.h"
 #include "openmc/hdf5_interface.h"
 #include "openmc/material.h"
+#include "openmc/math_functions.h"
 #include "openmc/mcpl_interface.h"
 #include "openmc/memory.h"
 #include "openmc/message_passing.h"
 #include "openmc/mgxs_interface.h"
 #include "openmc/nuclide.h"
+#include "openmc/random_dist.h"
 #include "openmc/random_lcg.h"
 #include "openmc/search.h"
 #include "openmc/settings.h"
@@ -100,6 +105,8 @@ unique_ptr<Source> Source::create(pugi::xml_node node)
       return make_unique<CompiledSourceWrapper>(node);
     } else if (source_type == "mesh") {
       return make_unique<MeshSource>(node);
+    } else if (source_type == "tokamak") {
+      return make_unique<TokamakSource>(node);
     } else {
       fatal_error(fmt::format("Invalid source type '{}' found.", source_type));
     }
@@ -673,6 +680,471 @@ SourceSite MeshSource::sample(uint64_t* seed) const
   return source(element)->sample_with_constraints(seed);
 }
 
+//==============================================================================
+// TokamakSource implementation
+//==============================================================================
+
+TokamakSource::TokamakSource(pugi::xml_node node) : Source(node)
+{
+  // Read geometry parameters
+  major_radius_ = std::stod(get_node_value(node, "major_radius"));
+  minor_radius_ = std::stod(get_node_value(node, "minor_radius"));
+  elongation_ = std::stod(get_node_value(node, "elongation"));
+  triangularity_ = std::stod(get_node_value(node, "triangularity"));
+  shafranov_shift_ = std::stod(get_node_value(node, "shafranov_shift"));
+
+  // Read optional vertical shift
+  if (check_for_node(node, "vertical_shift")) {
+    vertical_shift_ = std::stod(get_node_value(node, "vertical_shift"));
+  } else {
+    vertical_shift_ = 0.0;
+  }
+
+  // Read optional toroidal angle bounds
+  if (check_for_node(node, "phi_start")) {
+    phi_start_ = std::stod(get_node_value(node, "phi_start"));
+  } else {
+    phi_start_ = 0.0;
+  }
+  if (check_for_node(node, "phi_extent")) {
+    phi_extent_ = std::stod(get_node_value(node, "phi_extent"));
+  } else {
+    phi_extent_ = 2.0 * PI;
+  }
+  if (check_for_node(node, "n_alpha")) {
+    n_alpha_ = std::stoi(get_node_value(node, "n_alpha"));
+  } else {
+    n_alpha_ = 101; // Default
+  }
+
+  // Read emission profile
+  r_over_a_ = get_node_array<double>(node, "r_over_a");
+  emission_density_ = get_node_array<double>(node, "emission_density");
+
+  // Read energy distribution(s)
+  for (auto energy_node : node.children("energy")) {
+    energy_dists_.push_back(distribution_from_xml(energy_node));
+  }
+
+  // Read optional time distribution; default to a delta distribution at t=0
+  // for the same behavior as IndependentSource
+  if (check_for_node(node, "time")) {
+    time_ = distribution_from_xml(node.child("time"));
+  } else {
+    double T[] {0.0};
+    double p[] {1.0};
+    time_ = UPtrDist {new Discrete {T, p, 1}};
+  }
+
+  // Validate inputs
+  if (emission_density_.size() != r_over_a_.size()) {
+    fatal_error("TokamakSource: emission_density and r_over_a must have the "
+                "same length.");
+  }
+  if (r_over_a_.size() < 2) {
+    fatal_error(
+      "TokamakSource: At least 2 radial points are required for profiles.");
+  }
+  if (r_over_a_.front() != 0.0) {
+    fatal_error("TokamakSource: r_over_a must start at 0.");
+  }
+  if (r_over_a_.back() != 1.0) {
+    fatal_error("TokamakSource: r_over_a must end at 1.");
+  }
+  for (size_t i = 1; i < r_over_a_.size(); ++i) {
+    if (r_over_a_[i] <= r_over_a_[i - 1]) {
+      fatal_error("TokamakSource: r_over_a must be strictly increasing.");
+    }
+  }
+  for (size_t i = 0; i < emission_density_.size(); ++i) {
+    if (emission_density_[i] < 0.0) {
+      fatal_error("TokamakSource: emission_density values cannot be negative.");
+    }
+  }
+  if (major_radius_ <= 0.0) {
+    fatal_error("TokamakSource: major_radius must be > 0.");
+  }
+  if (minor_radius_ <= 0.0) {
+    fatal_error("TokamakSource: minor_radius must be > 0.");
+  }
+  if (minor_radius_ >= major_radius_) {
+    fatal_error("TokamakSource: minor_radius must be less than major_radius.");
+  }
+  if (elongation_ <= 0.0) {
+    fatal_error("TokamakSource: elongation must be > 0.");
+  }
+  if (triangularity_ < -1.0 || triangularity_ > 1.0) {
+    fatal_error("TokamakSource: triangularity must be in the range [-1, 1].");
+  }
+  if (shafranov_shift_ < 0.0) {
+    fatal_error("TokamakSource: shafranov_shift must be >= 0.");
+  }
+  if (shafranov_shift_ >= 0.5 * minor_radius_) {
+    fatal_error("TokamakSource: shafranov_shift must be less than half the "
+                "minor radius.");
+  }
+  if (phi_extent_ <= 0.0 || phi_extent_ > 2.0 * PI) {
+    fatal_error("TokamakSource: phi_extent must be > 0 and <= 2*pi.");
+  }
+  if (n_alpha_ <= 2) {
+    fatal_error("TokamakSource: n_alpha must be > 2.");
+  }
+  if (n_alpha_ < 51) {
+    warning("TokamakSource: n_alpha values below 51 may introduce noticeable "
+            "discretization bias in source sampling.");
+  }
+  if (energy_dists_.empty()) {
+    fatal_error("TokamakSource: At least one energy distribution is required.");
+  }
+  if (energy_dists_.size() != 1 && energy_dists_.size() != r_over_a_.size()) {
+    fatal_error("TokamakSource: energy distributions must be either 1 (for all "
+                "r) or match the number of r_over_a points.");
+  }
+
+  // Compute normalized geometry parameters
+  epsilon_ = minor_radius_ / major_radius_;
+  delta_tilde_ = shafranov_shift_ / minor_radius_;
+
+  // Initialize isotropic angular distribution
+  angle_ = UPtrAngle {new Isotropic()};
+
+  precompute_sampling_distributions();
+}
+
+void TokamakSource::precompute_sampling_distributions()
+{
+  // Use precomputed normalized geometry parameters
+  double eps = epsilon_;    // Inverse aspect ratio (a/R0)
+  double Dt = delta_tilde_; // Normalized Shafranov shift (Delta/a)
+  double delta = triangularity_;
+
+  //==========================================================================
+  // RADIAL CDF (computed first since it's simpler and sampled first)
+  //==========================================================================
+  // The marginal radial PDF is obtained by analytically integrating the joint
+  // distribution f(r_tilde, alpha) over alpha. The result is:
+  //
+  //   p(r_tilde) ~ S(r_tilde) * [(1 + eps*Dt)*r_tilde
+  //                              - (3/8)*c1*eps*r_tilde^2
+  //                              - 2*eps*Dt*r_tilde^3]
+  //
+  // where the Bessel function coefficients are:
+  //   c0 = J_0(delta) + J_2(delta)
+  //   c1 = (J_1(2*delta) + J_3(2*delta)) / c0
+  //
+  // For delta -> 0, c0 -> 1 and c1 -> 0, giving the circular cross-section
+  // limit.
+
+  // Compute Bessel function coefficients. openmc::cyl_bessel_j handles
+  // negative arguments (negative triangularity) via the parity relation
+  // J_n(-x) = (-1)^n * J_n(x).
+  double J0_d = cyl_bessel_j(0, delta);
+  double J2_d = cyl_bessel_j(2, delta);
+  double J1_2d = cyl_bessel_j(1, 2.0 * delta);
+  double J3_2d = cyl_bessel_j(3, 2.0 * delta);
+  double c0 = J0_d + J2_d;
+  double c1 = (J1_2d + J3_2d) / c0;
+
+  // Coefficients for the radial polynomial: A*r - B*r^2 - C*r^3
+  radial_poly_a_ = 1.0 + eps * Dt;
+  radial_poly_b_ = 0.375 * c1 * eps; // 3/8 * c1 * eps
+  radial_poly_c_ = 2.0 * eps * Dt;
+
+  // Build a refined radial grid that retains the user-specified grid points.
+  // The emission density is interpreted as linear-linear between those points.
+  constexpr int MIN_SUBINTERVALS = 8;
+  constexpr double MAX_GRID_SPACING = 1.0e-3;
+  vector<double> radial_grid {r_over_a_.front()};
+  vector<double> radial_emission {emission_density_.front()};
+  for (size_t i = 1; i < r_over_a_.size(); ++i) {
+    double r_lo = r_over_a_[i - 1];
+    double r_hi = r_over_a_[i];
+    double s_lo = emission_density_[i - 1];
+    double s_hi = emission_density_[i];
+    int n_subintervals = std::max(MIN_SUBINTERVALS,
+      static_cast<int>(std::ceil((r_hi - r_lo) / MAX_GRID_SPACING)));
+    for (int j = 1; j <= n_subintervals; ++j) {
+      double t = static_cast<double>(j) / n_subintervals;
+      radial_grid.push_back(r_lo + t * (r_hi - r_lo));
+      radial_emission.push_back(s_lo + t * (s_hi - s_lo));
+    }
+  }
+
+  vector<double> radial_pdf(radial_grid.size());
+  for (size_t i = 0; i < radial_grid.size(); ++i) {
+    double r = radial_grid[i];
+    // p(r) ~ S(r) * [A*r - B*r^2 - C*r^3]
+    double geometric_factor =
+      radial_poly_a_ * r - radial_poly_b_ * r * r - radial_poly_c_ * r * r * r;
+    radial_pdf[i] = radial_emission[i] * std::max(0.0, geometric_factor);
+  }
+
+  // Check that the refined profile contains positive probability mass before
+  // constructing the normalized tabular distribution.
+  double total = 0.0;
+  for (size_t i = 1; i < radial_grid.size(); ++i) {
+    total += 0.5 * (radial_pdf[i - 1] + radial_pdf[i]) *
+             (radial_grid[i] - radial_grid[i - 1]);
+  }
+  if (total <= 0.0) {
+    fatal_error(
+      "TokamakSource: Integrated emission density is zero or negative. "
+      "Check emission_density profile.");
+  }
+  radial_dist_ = make_unique<Tabular>(radial_grid.data(), radial_pdf.data(),
+    radial_grid.size(), Interpolation::lin_lin);
+
+  //==========================================================================
+  // POLOIDAL CDFs (for conditional sampling of alpha given r)
+  //==========================================================================
+  // The conditional distribution P(alpha | r) is a mixture:
+  //   P(alpha | r) ~ sum_k w_k(r) * I_hat_k * p_k(alpha)
+  // where:
+  //   - w_k(r) are the "dynamic" Bernstein weight functions (depend on r)
+  //   - I_hat_k are the "static" normalized integrals (precomputed constants)
+  //   - p_k(alpha) are the normalized basis distributions (precomputed CDFs)
+  //
+  // The static weights I_hat_k = I_k / (2*pi*c0) are:
+  //   I_hat_0 = 1 + eps*Dt
+  //   I_hat_1 = 1 + eps*Dt - (3/16)*c1*eps
+  //   I_hat_2 = 1 - (3/8)*c1*eps
+  //   I_hat_3 = 1 + eps*Dt
+  //   I_hat_4 = 1 + (1/2)*eps*Dt - (3/16)*c1*eps
+  //   I_hat_5 = 1 - eps*Dt - (3/8)*c1*eps
+
+  // Compute static weights analytically
+  poloidal_integrals_[0] = 1.0 + eps * Dt;
+  poloidal_integrals_[1] = 1.0 + eps * Dt - 0.1875 * c1 * eps; // 3/16 = 0.1875
+  poloidal_integrals_[2] = 1.0 - 0.375 * c1 * eps;             // 3/8 = 0.375
+  poloidal_integrals_[3] = 1.0 + eps * Dt;
+  poloidal_integrals_[4] = 1.0 + 0.5 * eps * Dt - 0.1875 * c1 * eps;
+  poloidal_integrals_[5] = 1.0 - eps * Dt - 0.375 * c1 * eps;
+
+  // Build the alpha grid on [0, pi] (half domain due to up-down symmetry)
+  int n_alpha = n_alpha_;
+  vector<double> alpha_grid(n_alpha);
+  double dalpha = PI / (n_alpha - 1);
+  for (int i = 0; i < n_alpha; ++i) {
+    alpha_grid[i] = i * dalpha;
+  }
+
+  // Compute basis function values g_k(alpha) for tabular distributions
+  // Using Bernstein form:
+  //   R_tilde = b0*(1-r)^2 + 2*b1*r*(1-r) + b2*r^2
+  //   J_tilde = b3*(1-r) + b4*r
+  // with:
+  //   b0(alpha) = 1 + eps*Dt
+  //   b1(alpha) = b0 + (eps/2)*cos(psi),  psi = alpha + delta*sin(alpha)
+  //   b2(alpha) = 1 + eps*cos(psi)
+  //   b3(alpha) = cos(delta*sin(alpha))
+  //               + (delta/4)*(cos(alpha - delta*sin(alpha))
+  //                          - cos(3*alpha + delta*sin(alpha)))
+  //   b4(alpha) = b3(alpha) - 2*Dt*cos(alpha)
+
+  array<vector<double>, N_POLOIDAL_BASIS> basis;
+  for (int k = 0; k < N_POLOIDAL_BASIS; ++k) {
+    basis[k].resize(n_alpha);
+  }
+
+  for (int i = 0; i < n_alpha; ++i) {
+    double alpha = alpha_grid[i];
+    double sin_alpha = std::sin(alpha);
+    double cos_alpha = std::cos(alpha);
+    double delta_sin_alpha = delta * sin_alpha;
+    double psi = alpha + delta_sin_alpha;
+    double cos_psi = std::cos(psi);
+
+    // Bernstein coefficients b0-b4
+    double b0 = 1.0 + eps * Dt;
+    double b1 = b0 + 0.5 * eps * cos_psi;
+    double b2 = 1.0 + eps * cos_psi;
+    double b3 =
+      std::cos(delta_sin_alpha) + 0.25 * delta *
+                                    (std::cos(alpha - delta_sin_alpha) -
+                                      std::cos(3.0 * alpha + delta_sin_alpha));
+    double b4 = b3 - 2.0 * Dt * cos_alpha;
+
+    // 6 basis functions g_k(alpha) = b_i * b_j
+    basis[0][i] = b0 * b3; // w0 = (1-r)^3
+    basis[1][i] = b1 * b3; // w1 = 2*r*(1-r)^2
+    basis[2][i] = b2 * b3; // w2 = r^2*(1-r)
+    basis[3][i] = b0 * b4; // w3 = r*(1-r)^2
+    basis[4][i] = b1 * b4; // w4 = 2*r^2*(1-r)
+    basis[5][i] = b2 * b4; // w5 = r^3
+  }
+
+  // Build a linear-linear distribution for each basis function p_k(alpha)
+  for (int k = 0; k < N_POLOIDAL_BASIS; ++k) {
+    poloidal_dists_[k] = make_unique<Tabular>(
+      alpha_grid.data(), basis[k].data(), n_alpha, Interpolation::lin_lin);
+  }
+}
+
+double TokamakSource::sample_r_over_a(uint64_t* seed) const
+{
+  return radial_dist_->sample(seed).first;
+}
+
+double TokamakSource::mixture_weight(int k, double r) const
+{
+  double s = 1.0 - r;
+  switch (k) {
+  case 0:
+    return s * s * s * poloidal_integrals_[0];
+  case 1:
+    return 2.0 * r * s * s * poloidal_integrals_[1];
+  case 2:
+    return r * r * s * poloidal_integrals_[2];
+  case 3:
+    return r * s * s * poloidal_integrals_[3];
+  case 4:
+    return 2.0 * r * r * s * poloidal_integrals_[4];
+  case 5:
+    return r * r * r * poloidal_integrals_[5];
+  default:
+    UNREACHABLE();
+  }
+}
+
+double TokamakSource::sample_poloidal_angle(double r_norm, uint64_t* seed) const
+{
+  // Sample from the conditional distribution P(alpha | r_tilde) using
+  // mixture sampling with 6 precomputed basis distributions.
+  //
+  // The conditional is: P(alpha | r) ~ sum_k w_k(r) * I_hat_k * p_k(alpha)
+  // where:
+  //   - w_k(r) are the "dynamic" Bernstein weight functions
+  //   - I_hat_k are the "static" normalized integrals (precomputed in
+  //   poloidal_integrals_)
+  //   - p_k(alpha) are the normalized, precomputed basis distributions
+  //
+  // The normalization sum_k w_k(r) * I_hat_k equals the radial geometric
+  // polynomial evaluated at r, which is known analytically.
+  //
+  // Algorithm:
+  // 1. Compute total from analytical normalization
+  // 2. Lazily evaluate mixture weights with early exit to select component k
+  // 3. Sample alpha from the selected basis distribution
+
+  // Analytical normalization: sum_k w_k(r) * I_hat_k
+  double total =
+    radial_poly_a_ - radial_poly_b_ * r_norm - radial_poly_c_ * r_norm * r_norm;
+  double xi = prn(seed) * total;
+
+  // Sample component via lazy evaluation with early exit
+  // Order optimized for peaked emission profiles: 0, 1, 4, 5, 3, 2
+  constexpr int order[] = {0, 1, 4, 5, 3, 2};
+  double cumsum = 0.0;
+  int component = order[N_POLOIDAL_BASIS - 1];
+  for (int i = 0; i < N_POLOIDAL_BASIS; ++i) {
+    cumsum += mixture_weight(order[i], r_norm);
+    if (xi < cumsum) {
+      component = order[i];
+      break;
+    }
+  }
+
+  // Sample alpha from [0, pi]
+  double alpha = poloidal_dists_[component]->sample(seed).first;
+
+  // Exploit up-down symmetry: randomly flip to [pi, 2*pi] with 50% probability
+  // This is equivalent to flipping the sign of Z in the final position
+  if (prn(seed) >= 0.5) {
+    alpha = 2.0 * PI - alpha;
+  }
+  return alpha;
+}
+
+std::pair<double, double> TokamakSource::sample_energy(
+  double r_norm, uint64_t* seed) const
+{
+  if (energy_dists_.size() == 1) {
+    // Single distribution for all r
+    return energy_dists_[0]->sample(seed);
+  }
+
+  // Multiple distributions: stochastic selection between bracketing r points
+  // Find the interval containing r_norm
+  size_t i = lower_bound_index(r_over_a_.begin(), r_over_a_.end(), r_norm);
+
+  // Handle boundary cases
+  if (i >= energy_dists_.size() - 1) {
+    return energy_dists_.back()->sample(seed);
+  }
+
+  // Stochastic interpolation: randomly select one of the two bracketing
+  // distributions based on distance to each
+  double t = (r_norm - r_over_a_[i]) / (r_over_a_[i + 1] - r_over_a_[i]);
+  size_t idx = (prn(seed) < t) ? i + 1 : i;
+  return energy_dists_[idx]->sample(seed);
+}
+
+Position TokamakSource::flux_to_cartesian(
+  double r, double alpha, double phi) const
+{
+  // Flux surface parameterization:
+  // R = R0 + r*cos(alpha + delta*sin(alpha)) + Delta*(1 - (r/a)^2)
+  // Z = kappa * r * sin(alpha)
+  // x = R * cos(phi)
+  // y = R * sin(phi)
+  // z = Z
+
+  double psi = alpha + triangularity_ * std::sin(alpha);
+  double r_over_a_sq = (r * r) / (minor_radius_ * minor_radius_);
+
+  double R =
+    major_radius_ + r * std::cos(psi) + shafranov_shift_ * (1.0 - r_over_a_sq);
+  double Z = elongation_ * r * std::sin(alpha);
+
+  double x = R * std::cos(phi);
+  double y = R * std::sin(phi);
+  double z = Z;
+
+  return {x, y, z};
+}
+
+SourceSite TokamakSource::sample(uint64_t* seed) const
+{
+  SourceSite site;
+  site.particle = ParticleType::neutron();
+  site.wgt = 1.0;
+  site.delayed_group = 0;
+
+  // 1. Sample r/a from radial CDF
+  double r_norm = sample_r_over_a(seed);
+  double r = r_norm * minor_radius_;
+
+  // 2. Sample poloidal angle from conditional distribution P(alpha|r)
+  double alpha = sample_poloidal_angle(r_norm, seed);
+
+  // 3. Sample toroidal angle uniformly in [phi_start, phi_start + phi_extent]
+  double phi = phi_start_ + phi_extent_ * prn(seed);
+
+  // 4. Convert to Cartesian coordinates
+  site.r = flux_to_cartesian(r, alpha, phi);
+
+  // 4a. Apply vertical shift if non-zero
+  if (vertical_shift_ != 0.0) {
+    site.r.z += vertical_shift_;
+  }
+
+  // 5. Sample isotropic direction
+  site.u = angle_->sample(seed).first;
+
+  // 6. Sample energy from distribution(s), applying the importance weight so
+  // that biased distributions are handled correctly
+  auto [E, E_wgt] = sample_energy(r_norm, seed);
+  site.E = E;
+
+  // 7. Sample particle creation time
+  auto [time, time_wgt] = time_->sample(seed);
+  site.time = time;
+
+  site.wgt *= E_wgt * time_wgt;
+
+  return site;
+}
+
 //==============================================================================
 // Non-member functions
 //==============================================================================
diff --git a/tests/cpp_unit_tests/test_distribution.cpp b/tests/cpp_unit_tests/test_distribution.cpp
index e46088a63..479e7c8a7 100644
--- a/tests/cpp_unit_tests/test_distribution.cpp
+++ b/tests/cpp_unit_tests/test_distribution.cpp
@@ -82,6 +82,31 @@ TEST_CASE("Test alias sampling method for pugixml constructor")
   }
 }
 
+TEST_CASE("Test sampling a large linear-linear tabular distribution")
+{
+  constexpr int n_points = 10001;
+  constexpr int n_samples = 200000;
+  openmc::vector<double> x(n_points);
+  openmc::vector<double> p(n_points);
+  for (int i = 0; i < n_points; ++i) {
+    x[i] = static_cast<double>(i) / (n_points - 1);
+    p[i] = 2.0 * x[i];
+  }
+
+  openmc::Tabular dist(
+    x.data(), p.data(), n_points, openmc::Interpolation::lin_lin);
+  uint64_t seed = openmc::init_seed(0, 0);
+
+  double mean = 0.0;
+  for (int i = 0; i < n_samples; ++i) {
+    mean += dist.sample(&seed).first;
+  }
+  mean /= n_samples;
+
+  // The normalized PDF is 2x on [0, 1], which has a mean of 2/3.
+  REQUIRE_THAT(mean, Catch::Matchers::WithinAbs(2.0 / 3.0, 0.003));
+}
+
 TEST_CASE("Test construction of SpatialBox with parameters")
 {
   openmc::Position ll {-1, -2, -3};
diff --git a/tests/cpp_unit_tests/test_math.cpp b/tests/cpp_unit_tests/test_math.cpp
index 983322e4b..7467aa1fe 100644
--- a/tests/cpp_unit_tests/test_math.cpp
+++ b/tests/cpp_unit_tests/test_math.cpp
@@ -46,6 +46,21 @@ TEST_CASE("Test t_percentile")
   }
 }
 
+TEST_CASE("Test cylindrical Bessel functions")
+{
+  constexpr double x = 2.0;
+  constexpr double expected[] {0.22389077914123567, 0.57672480775687339,
+    0.35283402861563773, 0.12894324947440205};
+
+  for (int n = 0; n < 4; ++n) {
+    REQUIRE_THAT(openmc::cyl_bessel_j(n, x),
+      Catch::Matchers::WithinRel(expected[n], 1.0e-14));
+    REQUIRE_THAT(openmc::cyl_bessel_j(n, -x),
+      Catch::Matchers::WithinRel(
+        (n % 2 == 0 ? 1.0 : -1.0) * expected[n], 1.0e-14));
+  }
+}
+
 TEST_CASE("Test calc_pn")
 {
   // The reference solutions come from scipy.special.eval_legendre
diff --git a/tests/unit_tests/test_source_tokamak.py b/tests/unit_tests/test_source_tokamak.py
new file mode 100644
index 000000000..f926c2007
--- /dev/null
+++ b/tests/unit_tests/test_source_tokamak.py
@@ -0,0 +1,263 @@
+import numpy as np
+import pytest
+
+import openmc
+import openmc.stats
+
+from tests.unit_tests import assert_sample_mean
+
+
+def make_source(**kwargs):
+    """Build a valid TokamakSource, overriding defaults via kwargs."""
+    r_over_a = np.linspace(0.0, 1.0, 10)
+    params = dict(
+        major_radius=620.0,
+        minor_radius=200.0,
+        elongation=1.8,
+        triangularity=0.45,
+        shafranov_shift=10.0,
+        r_over_a=r_over_a,
+        emission_density=(1.0 - r_over_a**2),
+        energy=openmc.stats.muir(e0=14.08e6, m_rat=5.0, kt=2.0e4),
+    )
+    params.update(kwargs)
+    return openmc.TokamakSource(**params)
+
+
+def test_tokamak_source_roundtrip():
+    src = make_source(
+        phi_start=0.1, phi_extent=np.pi, n_alpha=51, vertical_shift=5.0,
+        strength=2.0, time=openmc.stats.Uniform(0.0, 1e-6))
+
+    elem = src.to_xml_element()
+    assert elem.get('type') == 'tokamak'
+
+    new = openmc.SourceBase.from_xml_element(elem)
+    assert isinstance(new, openmc.TokamakSource)
+    assert new.major_radius == src.major_radius
+    assert new.minor_radius == src.minor_radius
+    assert new.elongation == src.elongation
+    assert new.triangularity == src.triangularity
+    assert new.shafranov_shift == src.shafranov_shift
+    assert new.phi_start == src.phi_start
+    assert new.phi_extent == src.phi_extent
+    assert new.n_alpha == src.n_alpha
+    assert new.vertical_shift == src.vertical_shift
+    assert new.strength == src.strength
+    np.testing.assert_allclose(new.r_over_a, src.r_over_a)
+    np.testing.assert_allclose(new.emission_density, src.emission_density)
+    assert len(new.energy) == 1
+    assert isinstance(new.time, openmc.stats.Uniform)
+    assert new.time.a == src.time.a
+    assert new.time.b == src.time.b
+
+
+def test_tokamak_source_default_time():
+    src = make_source()
+    assert src.time is None
+
+    new = openmc.SourceBase.from_xml_element(src.to_xml_element())
+    assert new.time is None
+
+    with pytest.raises(TypeError):
+        make_source(time=1.0)
+
+
+def test_tokamak_source_multiple_energies():
+    r_over_a = np.linspace(0.0, 1.0, 5)
+    energies = [openmc.stats.muir(e0=14.08e6, m_rat=5.0, kt=kt)
+                for kt in (1.0e4, 1.5e4, 2.0e4, 2.5e4, 3.0e4)]
+    src = make_source(r_over_a=r_over_a,
+                      emission_density=np.ones_like(r_over_a),
+                      energy=energies)
+    assert len(src.energy) == len(r_over_a)
+
+    new = openmc.SourceBase.from_xml_element(src.to_xml_element())
+    assert len(new.energy) == len(r_over_a)
+
+
+@pytest.mark.parametrize("kwargs, match", [
+    (dict(minor_radius=700.0), "smaller than major_radius"),
+    (dict(shafranov_shift=150.0), "half the minor_radius"),
+    (dict(emission_density=np.ones(5)), "same length as r_over_a"),
+    (dict(energy=[openmc.stats.muir(14.08e6, 5.0, 2.0e4)] * 2),
+     "Number of energy distributions"),
+    (dict(r_over_a=np.linspace(0.1, 1.0, 10)), "must start at 0"),
+    (dict(r_over_a=np.linspace(0.0, 0.9, 10)), "must end at 1"),
+    (dict(emission_density=-np.linspace(0.0, 1.0, 10)), "cannot be negative"),
+    (dict(emission_density=np.zeros(10)), "must contain a positive value"),
+])
+def test_tokamak_source_invalid(kwargs, match):
+    with pytest.raises(ValueError, match=match):
+        make_source(**kwargs)
+
+
+@pytest.mark.parametrize("value", [-1.5, 1.5])
+def test_tokamak_source_invalid_triangularity(value):
+    with pytest.raises(ValueError):
+        make_source(triangularity=value)
+
+
+def test_tokamak_source_invalid_n_alpha():
+    with pytest.raises(ValueError):
+        make_source(n_alpha=2)
+
+
+@pytest.mark.parametrize(("attribute", "value", "match"), [
+    ("minor_radius", 700.0, "smaller than major_radius"),
+    ("shafranov_shift", 150.0, "half the minor_radius"),
+    ("emission_density", np.ones(5), "same length as r_over_a"),
+    ("energy", [openmc.stats.delta_function(1.0)] * 2,
+     "Number of energy distributions"),
+])
+def test_tokamak_source_mutation_validation(attribute, value, match):
+    src = make_source()
+    setattr(src, attribute, value)
+    with pytest.raises(ValueError, match=match):
+        src.to_xml_element()
+
+
+@pytest.mark.parametrize(("emission_density", "expected_mean"), [
+    ([1.0, 1.0], 2.0 / 3.0),
+    ([1.0, 0.0], 0.5),
+])
+def test_tokamak_source_radial_sampling(
+    run_in_tmpdir, emission_density, expected_mean
+):
+    """Check radial sampling for profiles on the coarsest valid grid."""
+    major_radius = 620.0
+    minor_radius = 200.0
+    src = make_source(
+        major_radius=major_radius,
+        minor_radius=minor_radius,
+        elongation=1.0,
+        triangularity=0.0,
+        shafranov_shift=0.0,
+        r_over_a=[0.0, 1.0],
+        emission_density=emission_density,
+        energy=openmc.stats.delta_function(14.07e6),
+    )
+
+    sphere = openmc.Sphere(r=2000.0, boundary_type='vacuum')
+    model = openmc.Model(
+        geometry=openmc.Geometry([openmc.Cell(region=-sphere)]),
+        settings=openmc.Settings(
+            particles=100, batches=1, run_mode='fixed source', source=src),
+    )
+
+    sites = model.sample_external_source(20_000)
+    xyz = np.array([site.r for site in sites])
+    major_r = np.hypot(xyz[:, 0], xyz[:, 1])
+    r_over_a = np.hypot(major_r - major_radius, xyz[:, 2]) / minor_radius
+    assert_sample_mean(r_over_a, expected_mean)
+
+
+def test_tokamak_source_poloidal_sampling(run_in_tmpdir):
+    """Check linear-linear poloidal sampling on a coarse internal grid."""
+    major_radius = 620.0
+    minor_radius = 200.0
+    with pytest.warns(UserWarning, match="below 51"):
+        src = make_source(
+            major_radius=major_radius,
+            minor_radius=minor_radius,
+            elongation=1.0,
+            triangularity=0.0,
+            shafranov_shift=0.0,
+            emission_density=np.ones(10),
+            n_alpha=3,
+            energy=openmc.stats.delta_function(14.07e6),
+        )
+
+    sphere = openmc.Sphere(r=2000.0, boundary_type='vacuum')
+    model = openmc.Model(
+        geometry=openmc.Geometry([openmc.Cell(region=-sphere)]),
+        settings=openmc.Settings(
+            particles=100, batches=1, run_mode='fixed source', source=src),
+    )
+
+    sites = model.sample_external_source(100_000)
+    xyz = np.array([site.r for site in sites])
+    major_r = np.hypot(xyz[:, 0], xyz[:, 1])
+
+    # With three alpha points, linear interpolation of cos(alpha) on [0, pi]
+    # gives 1 - 2*alpha/pi. Integrating the resulting density gives this mean.
+    expected_R = (
+        major_radius
+        + 2.0 * minor_radius**2 / (np.pi**2 * major_radius)
+    )
+    assert_sample_mean(major_r, expected_R)
+
+
+@pytest.mark.flaky(reruns=1)
+def test_tokamak_source_sampling(run_in_tmpdir):
+    """Exercise the compiled C++ sampling path and check invariants.
+
+    Sampled moments are compared against direct numerical quadrature of the
+    exact source density S(r)*R*|J|, where the Jacobian J of the flux-surface
+    map is computed from analytic partial derivatives. This check is
+    independent of the Bernstein-mixture factorization used by the
+    implementation.
+    """
+    R0, a, kappa, delta = 620.0, 200.0, 1.8, -0.5
+    shafranov, zshift = 40.0, 25.0
+    phi_start, phi_extent = 0.5, np.pi / 2
+
+    # Fine grids to make discretization error negligible relative to
+    # statistical uncertainty
+    r_over_a = np.linspace(0.0, 1.0, 200)
+    src = make_source(
+        major_radius=R0, minor_radius=a, elongation=kappa,
+        triangularity=delta, shafranov_shift=shafranov, vertical_shift=zshift,
+        r_over_a=r_over_a, emission_density=1.0 - r_over_a**2,
+        phi_start=phi_start, phi_extent=phi_extent, n_alpha=201,
+        energy=openmc.stats.delta_function(14.07e6))
+
+    sphere = openmc.Sphere(r=2000.0, boundary_type='vacuum')
+    cell = openmc.Cell(region=-sphere)
+    settings = openmc.Settings(
+        particles=100, batches=1, run_mode='fixed source', source=src)
+    model = openmc.Model(geometry=openmc.Geometry([cell]), settings=settings)
+
+    n_samples = 20_000
+    sites = model.sample_external_source(n_samples)
+
+    xyz = np.array([s.r for s in sites])
+    R = np.hypot(xyz[:, 0], xyz[:, 1])
+    z = xyz[:, 2]
+
+    # Energy, weight, and time invariants
+    assert np.all([s.E == 14.07e6 for s in sites])
+    assert np.all([s.wgt == 1.0 for s in sites])
+    assert np.all([s.time == 0.0 for s in sites])
+
+    # Toroidal angle within the requested sector
+    phi = np.arctan2(xyz[:, 1], xyz[:, 0])
+    assert phi.min() >= phi_start
+    assert phi.max() <= phi_start + phi_extent
+
+    # Positions bounded by the last closed flux surface
+    assert R.min() >= R0 - a
+    assert R.max() <= R0 + a + shafranov
+    assert np.abs(z - zshift).max() <= kappa * a
+
+    # Up-down symmetry about the vertical shift
+    assert_sample_mean(z, zshift)
+
+    # Reference moments by 2D quadrature of the exact density
+    r = np.linspace(0.0, 1.0, 1001)[:, np.newaxis]  # r/a
+    alpha = np.linspace(0.0, 2 * np.pi, 2001)[np.newaxis, :]
+    psi = alpha + delta * np.sin(alpha)
+    R_map = R0 + a * r * np.cos(psi) + shafranov * (1.0 - r**2)
+    Z_map = kappa * a * r * np.sin(alpha)
+    dR_dr = a * np.cos(psi) - 2.0 * shafranov * r
+    dR_da = -a * r * np.sin(psi) * (1.0 + delta * np.cos(alpha))
+    dZ_dr = kappa * a * np.sin(alpha) * np.ones_like(psi)
+    dZ_da = kappa * a * r * np.cos(alpha)
+    jac = np.abs(dR_dr * dZ_da - dR_da * dZ_dr)
+    dens = (1.0 - r**2) * R_map * jac
+    norm = dens.sum()
+    expected_R = (R_map * dens).sum() / norm
+    expected_z2 = (Z_map**2 * dens).sum() / norm
+
+    assert_sample_mean(R, expected_R)
+    assert_sample_mean((z - zshift)**2, expected_z2)

From f1fb6721f05a0f0eeda95670e9e96386bc45a445 Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Thu, 16 Jul 2026 20:25:18 -0500
Subject: [PATCH 2647/2654] Performance optimizations for shared secondary bank
 (#4011)

---
 include/openmc/shared_array.h |  26 +++++++
 src/simulation.cpp            | 142 +++++++++++++++++++++++++---------
 2 files changed, 130 insertions(+), 38 deletions(-)

diff --git a/include/openmc/shared_array.h b/include/openmc/shared_array.h
index b309ca3f1..2829a2eb9 100644
--- a/include/openmc/shared_array.h
+++ b/include/openmc/shared_array.h
@@ -114,6 +114,32 @@ public:
     data_[size_++] = value;
   }
 
+  //! Increase the size of the container by count elements without assigning
+  //! values to the new elements. Existing elements are preserved if the
+  //! container needs to grow. This does not perform any thread safety checks.
+  //
+  //! \param count The number of elements to append
+  //! \return The starting index of the appended range
+  int64_t extend_uninitialized(int64_t count)
+  {
+    int64_t offset = size_;
+    int64_t new_size = size_ + count;
+    if (new_size > capacity_) {
+      int64_t new_capacity = capacity_ == 0 ? 8 : capacity_;
+      while (new_capacity < new_size) {
+        new_capacity *= 2;
+      }
+      unique_ptr<T[]> new_data = make_unique<T[]>(new_capacity);
+      if (size_ > 0) {
+        std::copy_n(data_.get(), size_, new_data.get());
+      }
+      data_ = std::move(new_data);
+      capacity_ = new_capacity;
+    }
+    size_ = new_size;
+    return offset;
+  }
+
   //! Return the number of elements in the container
   int64_t size() { return size_; }
   int64_t size() const { return size_; }
diff --git a/src/simulation.cpp b/src/simulation.cpp
index cfc2b43e6..03f40a726 100644
--- a/src/simulation.cpp
+++ b/src/simulation.cpp
@@ -12,6 +12,7 @@
 #include "openmc/material.h"
 #include "openmc/message_passing.h"
 #include "openmc/nuclide.h"
+#include "openmc/openmp_interface.h"
 #include "openmc/output.h"
 #include "openmc/particle.h"
 #include "openmc/photon.h"
@@ -41,6 +42,7 @@
 
 #include <algorithm>
 #include <cmath>
+#include <numeric>
 #include <string>
 
 //==============================================================================
@@ -354,6 +356,94 @@ int64_t simulation_tracks_completed {0};
 
 } // namespace simulation
 
+namespace {
+
+//! Collect thread-local secondary banks into the shared secondary bank in
+//! sorted order.
+//!
+//! \param thread_banks  Secondary banks produced by each OpenMP thread
+void collect_sorted_history_secondary_banks(
+  vector<vector<SourceSite>>& thread_banks)
+{
+  // Count the total number of all secondary sites produced
+  int64_t n_collected = 0;
+  for (const auto& bank : thread_banks) {
+    n_collected += bank.size();
+  }
+
+  // Count the expected number of progeny from per-parent progeny counts
+  int64_t n_progeny = 0;
+  for (int64_t count : simulation::progeny_per_particle) {
+    n_progeny += count;
+  }
+
+  if (n_collected != n_progeny) {
+    fatal_error("Mismatch detected between sum of all particle progeny and "
+                "secondary bank size during collection.");
+  }
+
+  // Convert per-parent progeny counts to offsets into the sorted bank
+  std::exclusive_scan(simulation::progeny_per_particle.begin(),
+    simulation::progeny_per_particle.end(),
+    simulation::progeny_per_particle.begin(), 0);
+
+  // Allocate the shared bank once for the complete generation
+  simulation::shared_secondary_bank_write.resize(0);
+  simulation::shared_secondary_bank_write.extend_uninitialized(n_progeny);
+
+  // Place each secondary according to its parent and progeny identifiers
+  for (const auto& bank : thread_banks) {
+    for (const auto& site : bank) {
+      if (site.parent_id < 0 ||
+          site.parent_id >=
+            static_cast<int64_t>(simulation::progeny_per_particle.size())) {
+        fatal_error(fmt::format("Invalid parent_id {} for banked site "
+                                "(expected range [0, {})).",
+          site.parent_id, simulation::progeny_per_particle.size()));
+      }
+      int64_t idx =
+        simulation::progeny_per_particle[site.parent_id] + site.progeny_id;
+      if (idx < 0 || idx >= n_progeny) {
+        fatal_error("Mismatch detected between sum of all particle progeny and "
+                    "secondary bank size during collection.");
+      }
+      simulation::shared_secondary_bank_write[idx] = site;
+    }
+  }
+}
+
+//! Collect particle-local secondary banks into the shared secondary bank.
+//!
+//! \param n_particles  Number of particles in the active event-based buffer
+void collect_event_secondary_banks(int64_t n_particles)
+{
+  // Compute offsets for each particle's local secondary bank.
+  vector<int64_t> offsets(n_particles);
+  int64_t total = 0;
+  for (int64_t i = 0; i < n_particles; ++i) {
+    offsets[i] = total;
+    total += simulation::particles[i].local_secondary_bank().size();
+  }
+
+  // Extend the shared bank once for all collected secondaries
+  int64_t bank_offset =
+    simulation::shared_secondary_bank_write.extend_uninitialized(total);
+
+  // Copy each local bank into its assigned range and clear the local storage
+#pragma omp parallel for schedule(static)
+  for (int64_t i = 0; i < n_particles; ++i) {
+    auto& local_bank = simulation::particles[i].local_secondary_bank();
+    if (!local_bank.empty()) {
+      std::copy(local_bank.cbegin(), local_bank.cend(),
+        simulation::shared_secondary_bank_write.data() + bank_offset +
+          offsets[i]);
+      local_bank.clear();
+    }
+  }
+}
+
+} // namespace
+
 //==============================================================================
 // Non-member functions
 //==============================================================================
@@ -921,11 +1011,13 @@ void transport_history_based_shared_secondary()
   std::fill(simulation::progeny_per_particle.begin(),
     simulation::progeny_per_particle.end(), 0);
 
+  vector<vector<SourceSite>> thread_banks(num_threads());
+
   // Phase 1: Transport primary particles and deposit first generation of
   // secondaries in the shared secondary bank
 #pragma omp parallel
   {
-    vector<SourceSite> thread_bank;
+    auto& thread_bank = thread_banks[thread_num()];
     Particle p;
 
 #pragma omp for schedule(runtime)
@@ -937,15 +1029,9 @@ void transport_history_based_shared_secondary()
       }
       p.local_secondary_bank().clear();
     }
-
-    // Drain thread-local bank into the shared secondary bank (once per thread)
-#pragma omp critical(SharedSecondaryBank)
-    {
-      for (auto& site : thread_bank) {
-        simulation::shared_secondary_bank_write.thread_unsafe_append(site);
-      }
-    }
   }
+  collect_sorted_history_secondary_banks(thread_banks);
+  thread_banks.clear();
 
   simulation::simulation_tracks_completed += settings::n_particles;
 
@@ -955,10 +1041,6 @@ void transport_history_based_shared_secondary()
   int64_t alive_secondary = 1;
   while (alive_secondary) {
 
-    // Sort the shared secondary bank by parent ID then progeny ID to
-    // ensure reproducibility.
-    sort_bank(simulation::shared_secondary_bank_write, false);
-
     // Synchronize the shared secondary bank amongst all MPI ranks, such
     // that each MPI rank has an approximately equal number of secondary
     // tracks. Also reports the total number of secondaries alive across
@@ -987,11 +1069,12 @@ void transport_history_based_shared_secondary()
       simulation::shared_secondary_bank_read.size());
     std::fill(simulation::progeny_per_particle.begin(),
       simulation::progeny_per_particle.end(), 0);
+    thread_banks.resize(num_threads());
 
     // Transport all secondary tracks from the shared secondary bank
 #pragma omp parallel
     {
-      vector<SourceSite> thread_bank;
+      auto& thread_bank = thread_banks[thread_num()];
       Particle p;
 
 #pragma omp for schedule(runtime)
@@ -1006,17 +1089,12 @@ void transport_history_based_shared_secondary()
         }
         p.local_secondary_bank().clear();
       }
-
-      // Drain thread-local bank into the shared secondary bank (once per
-      // thread)
-#pragma omp critical(SharedSecondaryBank)
-      {
-        for (auto& secondary_site : thread_bank) {
-          simulation::shared_secondary_bank_write.thread_unsafe_append(
-            secondary_site);
-        }
-      }
     } // End of transport loop over tracks in shared secondary bank
+    simulation::shared_secondary_bank_write =
+      std::move(simulation::shared_secondary_bank_read);
+    simulation::shared_secondary_bank_read = SharedArray<SourceSite>();
+    collect_sorted_history_secondary_banks(thread_banks);
+    thread_banks.clear();
     n_generation_depth++;
     simulation::simulation_tracks_completed += alive_secondary;
   } // End of loop over secondary generations
@@ -1080,13 +1158,7 @@ void transport_event_based_shared_secondary()
     process_transport_events();
     process_death_events(n_particles);
 
-    // Collect secondaries from all particle buffers into shared bank
-    for (int64_t i = 0; i < n_particles; i++) {
-      for (auto& site : simulation::particles[i].local_secondary_bank()) {
-        simulation::shared_secondary_bank_write.thread_unsafe_append(site);
-      }
-      simulation::particles[i].local_secondary_bank().clear();
-    }
+    collect_event_secondary_banks(n_particles);
 
     remaining_work -= n_particles;
     source_offset += n_particles;
@@ -1150,13 +1222,7 @@ void transport_event_based_shared_secondary()
       process_transport_events();
       process_death_events(n_particles);
 
-      // Collect secondaries from all particle buffers into shared bank
-      for (int64_t i = 0; i < n_particles; i++) {
-        for (auto& site : simulation::particles[i].local_secondary_bank()) {
-          simulation::shared_secondary_bank_write.thread_unsafe_append(site);
-        }
-        simulation::particles[i].local_secondary_bank().clear();
-      }
+      collect_event_secondary_banks(n_particles);
 
       sec_remaining -= n_particles;
       sec_offset += n_particles;

From d3bc1669d3933d04898fa51e2030a8413b7f59bd Mon Sep 17 00:00:00 2001
From: GuySten <62616591+GuySten@users.noreply.github.com>
Date: Fri, 17 Jul 2026 15:40:16 +0300
Subject: [PATCH 2648/2654] Access element subshell map data only if it has
 atomic relaxation data (#4020)

---
 src/physics.cpp | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/src/physics.cpp b/src/physics.cpp
index dcc771329..4a8b4d368 100644
--- a/src/physics.cpp
+++ b/src/physics.cpp
@@ -359,8 +359,8 @@ void sample_photon_reaction(Particle& p)
     // Allow electrons to fill orbital and produce Auger electrons and
     // fluorescent photons. Since Compton subshell data does not match atomic
     // relaxation data, use the mapping between the data to find the subshell
-    if (settings::atomic_relaxation && i_shell >= 0 &&
-        element.subshell_map_[i_shell] >= 0) {
+    if (settings::atomic_relaxation && element.has_atomic_relaxation_ &&
+        i_shell >= 0 && element.subshell_map_[i_shell] >= 0) {
       element.atomic_relaxation(element.subshell_map_[i_shell], p);
     }
 

From 796ae384b80480bda03b33bfa85a90cb510d1b50 Mon Sep 17 00:00:00 2001
From: GuySten <62616591+GuySten@users.noreply.github.com>
Date: Fri, 17 Jul 2026 16:18:53 +0300
Subject: [PATCH 2649/2654] Fix not reseting filter_matches corrupt pulse
 height results (#4019)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 src/tallies/tally_scoring.cpp         | 34 +++++++--------
 tests/unit_tests/test_pulse_height.py | 59 +++++++++++++++++++++++++++
 2 files changed, 77 insertions(+), 16 deletions(-)
 create mode 100644 tests/unit_tests/test_pulse_height.py

diff --git a/src/tallies/tally_scoring.cpp b/src/tallies/tally_scoring.cpp
index 7bce6ec13..241cbf008 100644
--- a/src/tallies/tally_scoring.cpp
+++ b/src/tallies/tally_scoring.cpp
@@ -2730,6 +2730,9 @@ void score_pulse_height_tally(Particle& p, const vector<int>& tallies)
   int orig_cell = p.coord(0).cell();
   double orig_E_last = p.E_last();
 
+  // Set particle in top level
+  p.n_coord() = 1;
+
   for (auto i_tally : tallies) {
     auto& tally {*model::tallies[i_tally]};
 
@@ -2740,7 +2743,6 @@ void score_pulse_height_tally(Particle& p, const vector<int>& tallies)
 
     for (auto cell_id : cells) {
       // Temporarily change cell of particle
-      p.n_coord() = 1;
       p.coord(0).cell() = cell_id;
 
       // Determine index of cell in model::pulse_height_cells
@@ -2756,20 +2758,20 @@ void score_pulse_height_tally(Particle& p, const vector<int>& tallies)
       // we skip the assume_separate break below.
       auto filter_iter = FilterBinIter(tally, p);
       auto end = FilterBinIter(tally, true, &p.filter_matches());
-      if (filter_iter == end)
-        continue;
+      if (filter_iter != end) {
 
-      // Loop over filter bins.
-      for (; filter_iter != end; ++filter_iter) {
-        auto filter_index = filter_iter.index_;
-        auto filter_weight = filter_iter.weight_;
+        // Loop over filter bins.
+        for (; filter_iter != end; ++filter_iter) {
+          auto filter_index = filter_iter.index_;
+          auto filter_weight = filter_iter.weight_;
 
-        // Loop over scores.
-        for (auto score_index = 0; score_index < tally.scores_.size();
-             ++score_index) {
+          // Loop over scores.
+          for (auto score_index = 0; score_index < tally.scores_.size();
+               ++score_index) {
 #pragma omp atomic
-          tally.results_(filter_index, score_index, TallyResult::VALUE) +=
-            filter_weight;
+            tally.results_(filter_index, score_index, TallyResult::VALUE) +=
+              filter_weight;
+          }
         }
       }
 
@@ -2777,10 +2779,10 @@ void score_pulse_height_tally(Particle& p, const vector<int>& tallies)
       for (auto& match : p.filter_matches())
         match.bins_present_ = false;
     }
-    // Restore cell/energy
-    p.n_coord() = orig_n_coord;
-    p.coord(0).cell() = orig_cell;
-    p.E_last() = orig_E_last;
   }
+  // Restore cell/energy
+  p.n_coord() = orig_n_coord;
+  p.coord(0).cell() = orig_cell;
+  p.E_last() = orig_E_last;
 }
 } // namespace openmc
diff --git a/tests/unit_tests/test_pulse_height.py b/tests/unit_tests/test_pulse_height.py
new file mode 100644
index 000000000..1f27cc6f2
--- /dev/null
+++ b/tests/unit_tests/test_pulse_height.py
@@ -0,0 +1,59 @@
+import numpy as np
+import pytest
+import openmc
+
+
+@pytest.fixture
+def model():
+    openmc.reset_auto_ids()
+    model = openmc.Model()
+
+    # Define materials
+    NaI = openmc.Material()
+    NaI.set_density('g/cm3', 3.7)
+    NaI.add_element('Na', 1.0)
+    NaI.add_element('I', 1.0)
+
+    # Define geometry: two spheres in each other
+    s1 = openmc.Sphere(r=1)
+    s2 = openmc.Sphere(r=2, boundary_type='vacuum')
+    inner_sphere = openmc.Cell(name='inner sphere', fill=NaI, region=-s1)
+    outer_sphere = openmc.Cell(name='outer sphere', fill=NaI, region=+s1 & -s2)
+    model.geometry = openmc.Geometry([inner_sphere, outer_sphere])
+
+    # Define settings
+    model.settings.run_mode = 'fixed source'
+    model.settings.batches = 1
+    model.settings.particles = 10000
+    model.settings.photon_transport = True
+    model.settings.source = openmc.IndependentSource(
+        energy=openmc.stats.delta_function(1e6),
+        particle='photon'
+    )
+
+    # Define tallies
+    energy_filter = openmc.EnergyFilter([1e3, 1e7])    
+
+    tally1 = openmc.Tally()
+    tally1.scores = ['pulse-height']
+    cell_filter1 = openmc.CellFilter([inner_sphere, outer_sphere])
+    tally1.filters = [cell_filter1, energy_filter]
+
+    tally2 = openmc.Tally()
+    tally2.scores = ['pulse-height']
+    cell_filter2 = openmc.CellFilter([outer_sphere, inner_sphere])
+    tally2.filters = [cell_filter2, energy_filter]
+
+    model.tallies = [tally1, tally2]
+    return model
+
+
+def test_pulse_height(model, run_in_tmpdir):
+    sp_path = model.run()
+    sp = openmc.StatePoint(sp_path)
+    t1 = sp.tallies[1].mean.squeeze()
+    t2 = sp.tallies[2].mean.squeeze()
+    
+    np.testing.assert_array_equal(t1, t2[::-1])
+
+

From db673b9acb400d15be3df98ea0492486ff820866 Mon Sep 17 00:00:00 2001
From: Joffrey Dorville <54550047+JoffreyDorville@users.noreply.github.com>
Date: Fri, 17 Jul 2026 10:47:40 -0500
Subject: [PATCH 2650/2654] Automatic C++ doc generation (#3950)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 .gitignore                          |  1 +
 .readthedocs.yaml                   |  2 ++
 docs/Makefile                       |  1 +
 docs/doxygen/Doxyfile               | 13 +++++++++
 docs/source/capi/index.rst          | 43 +++++++----------------------
 docs/source/conf.py                 | 13 ++++++++-
 docs/source/devguide/docbuild.rst   |  5 ++++
 docs/source/io_formats/geometry.rst |  6 ++--
 include/openmc/capi.h               | 29 ++++++++++++++++++-
 pyproject.toml                      |  1 +
 10 files changed, 76 insertions(+), 38 deletions(-)
 create mode 100644 docs/doxygen/Doxyfile

diff --git a/.gitignore b/.gitignore
index dd8dfb14a..32ef7919a 100644
--- a/.gitignore
+++ b/.gitignore
@@ -25,6 +25,7 @@ examples/**/*.xml
 
 # Documentation builds
 docs/build
+docs/doxygen/xml
 docs/source/_images/*.pdf
 docs/source/_images/*.aux
 docs/source/pythonapi/generated/
diff --git a/.readthedocs.yaml b/.readthedocs.yaml
index 61301bdb4..7594ed5f2 100644
--- a/.readthedocs.yaml
+++ b/.readthedocs.yaml
@@ -7,6 +7,8 @@ build:
   jobs:
     post_checkout:
       - git fetch --unshallow || true
+      - cd docs/doxygen && doxygen && cd -
+
 sphinx:
   configuration: docs/source/conf.py
 
diff --git a/docs/Makefile b/docs/Makefile
index a93338df3..e320432a2 100644
--- a/docs/Makefile
+++ b/docs/Makefile
@@ -45,6 +45,7 @@ help:
 clean:
 	-rm -rf $(BUILDDIR)/*
 	-rm -rf source/pythonapi/generated/
+	-rm -rf doxygen/xml
 
 html:
 	$(SPHINXBUILD) -b html $(ALLSPHINXOPTS) $(BUILDDIR)/html
diff --git a/docs/doxygen/Doxyfile b/docs/doxygen/Doxyfile
new file mode 100644
index 000000000..75702eff7
--- /dev/null
+++ b/docs/doxygen/Doxyfile
@@ -0,0 +1,13 @@
+# Doxyfile 1.9.1
+
+# This file describes the settings to be used by the documentation system
+# doxygen (www.doxygen.org) for a project.
+
+# Difference with default Doxyfile 1.9.1
+PROJECT_NAME           = OpenMC
+QUIET                  = YES
+WARN_IF_UNDOCUMENTED   = NO
+INPUT                  = ../../include/openmc/capi.h
+GENERATE_HTML          = NO
+GENERATE_LATEX         = NO
+GENERATE_XML           = YES
diff --git a/docs/source/capi/index.rst b/docs/source/capi/index.rst
index 1777e795a..e924aa6e2 100644
--- a/docs/source/capi/index.rst
+++ b/docs/source/capi/index.rst
@@ -46,43 +46,20 @@ Type Definitions
 Functions
 ---------
 
-.. c:function:: int openmc_calculate_volumes()
+..
+   Once documentation is complete in capi.h, use:
+   .. doxygenfile:: capi.h
+   to populate this documentation without using
+   .. doxygenfunction::
+   for every function.
 
-   Run a stochastic volume calculation
+.. doxygenfunction:: openmc_calculate_volumes
 
-   :return: Return status (negative if an error occurred)
-   :rtype: int
+.. doxygenfunction:: openmc_cell_get_fill
 
-.. c:function:: int openmc_cell_get_fill(int32_t index, int* type, int32_t** indices, int32_t* n)
+.. doxygenfunction:: openmc_cell_get_id
 
-   Get the fill for a cell
-
-   :param int32_t index: Index in the cells array
-   :param int* type: Type of the fill
-   :param int32_t** indices: Array of material indices for cell
-   :param int32_t* n: Length of indices array
-   :return: Return status (negative if an error occurred)
-   :rtype: int
-
-.. c:function:: int openmc_cell_get_id(int32_t index, int32_t* id)
-
-   Get the ID of a cell
-
-   :param int32_t index: Index in the cells array
-   :param int32_t* id: ID of the cell
-   :return: Return status (negative if an error occurred)
-   :rtype: int
-
-.. c:function:: int openmc_cell_get_temperature(int32_t index, const int32_t* instance, double* T)
-
-   Get the temperature of a cell
-
-   :param int32_t index: Index in the cells array
-   :param int32_t* instance: Which instance of the cell. If a null pointer is passed, the temperature
-                             of the first instance is returned.
-   :param double* T: temperature of the cell
-   :return: Return status (negative if an error occurred)
-   :rtype: int
+.. doxygenfunction:: openmc_cell_get_temperature
 
 .. c:function:: int openmc_cell_get_density(int32_t index, const int32_t* instance, double* density)
 
diff --git a/docs/source/conf.py b/docs/source/conf.py
index 3a2e7fb93..61740239b 100644
--- a/docs/source/conf.py
+++ b/docs/source/conf.py
@@ -11,7 +11,10 @@
 # All configuration values have a default; values that are commented out
 # serve to show the default.
 
-import sys, os
+import os
+from pathlib import Path
+import subprocess
+import sys
 
 # Determine if we're on Read the Docs server
 on_rtd = os.environ.get('READTHEDOCS', None) == 'True'
@@ -37,6 +40,7 @@ sys.path.insert(0, os.path.abspath('../..'))
 # Add any Sphinx extension module names here, as strings. They can be extensions
 # coming with Sphinx (named 'sphinx.ext.*') or your custom ones.
 extensions = [
+    'breathe',
     'sphinx.ext.autodoc',
     'sphinx.ext.napoleon',
     'sphinx.ext.autosummary',
@@ -47,6 +51,8 @@ extensions = [
 ]
 if not on_rtd:
     extensions.append('sphinxcontrib.rsvgconverter')
+    doxygen_dir = Path(__file__).parents[1] / 'doxygen'
+    subprocess.run(['doxygen'], cwd=doxygen_dir, check=True)
 
 # Add any paths that contain templates here, relative to this directory.
 templates_path = ['_templates']
@@ -117,6 +123,11 @@ pygments_style = 'tango'
 # A list of ignored prefixes for module index sorting.
 #modindex_common_prefix = []
 
+# -- Options breathe + doxygen -------------------------------------------------
+
+breathe_projects = {"OpenMC": "../doxygen/xml"}
+breathe_default_project = "OpenMC"
+breathe_domain_by_file_pattern = {"*capi.h": "c"}
 
 # -- Options for HTML output ---------------------------------------------------
 
diff --git a/docs/source/devguide/docbuild.rst b/docs/source/devguide/docbuild.rst
index f723db06e..cda0307ca 100644
--- a/docs/source/devguide/docbuild.rst
+++ b/docs/source/devguide/docbuild.rst
@@ -14,6 +14,11 @@ Python API. That is, from the root directory of the OpenMC repository:
 
     python -m pip install ".[docs]"
 
+The OpenMC documentation also uses Doxygen to automatically generate its
+C/C++ API documentation directly from the docstrings available in the source
+code. You will need to have a working installation of Doxygen to generate the
+documentation locally.
+
 -----------------------------------
 Building Documentation as a Webpage
 -----------------------------------
diff --git a/docs/source/io_formats/geometry.rst b/docs/source/io_formats/geometry.rst
index 60ff0afae..5cd18bef1 100644
--- a/docs/source/io_formats/geometry.rst
+++ b/docs/source/io_formats/geometry.rst
@@ -425,13 +425,13 @@ Each ``<dagmc_universe>`` element can have the following attributes or sub-eleme
       material) assignment. Required.
 
     :temperature:
-      Temperature(s) in [K] to assign to the cell. Must be ≥ 0. Multiple
-      space-separated values may be given.
+      Temperature(s) in [K] to assign to the cell. Must be greater than or equal
+      to 0. Multiple space-separated values may be given.
 
       *Default*: None
 
     :density:
-      Density in [g/cm³] to assign to the cell. Must be > 0. Requires a non-void
+      Density in [g/cm³] to assign to the cell. Must be greater than 0. Requires a non-void
       material fill. Multiple space-separated values may be given.
 
       *Default*: None
diff --git a/include/openmc/capi.h b/include/openmc/capi.h
index 6b78145a4..9f6987d74 100644
--- a/include/openmc/capi.h
+++ b/include/openmc/capi.h
@@ -9,14 +9,41 @@
 extern "C" {
 #endif
 
+//! Run a stochastic volume calculation
+//
+//! \return Status (negative if an error occurred)
 int openmc_calculate_volumes();
+
 int openmc_cell_filter_get_bins(
   int32_t index, const int32_t** cells, int32_t* n);
+
+//! Get the fill for a cell
+//
+//! \param index Index in the cells array
+//! \param type Type of the fill
+//! \param indices Array of material indices for cell
+//! \param n Length of indices array
+//! \return Status (negative if an error occurred)
 int openmc_cell_get_fill(
   int32_t index, int* type, int32_t** indices, int32_t* n);
+
+//! Get the ID of a cell
+//
+//! \param index Index in the cells array
+//! \param id ID of the cell
+//! \return Status (negative if an error occurred)
 int openmc_cell_get_id(int32_t index, int32_t* id);
+
+//! Get the temperature of a cell
+//
+//! \param index Index in the cells array
+//! \param instance Which instance of the cell. If a null pointer is
+//!                 passed, the temperature of the first instance is returned.
+//! \param T temperature of the cell
+//!\return Status (negative if an error occurred)
 int openmc_cell_get_temperature(
   int32_t index, const int32_t* instance, double* T);
+
 int openmc_cell_get_density(
   int32_t index, const int32_t* instance, double* rho);
 int openmc_cell_get_translation(int32_t index, double xyz[]);
@@ -280,7 +307,7 @@ int openmc_zernike_filter_set_params(
 int openmc_particle_filter_get_bins(int32_t idx, int32_t bins[]);
 
 //! Sets the mesh and energy grid for CMFD reweight
-//! \param[in] meshtyally_id id of CMFD Mesh Tally
+//! \param[in] meshtally_id id of CMFD Mesh Tally
 //! \param[in] cmfd_indices indices storing spatial and energy dimensions of
 //! CMFD problem \param[in] norm CMFD normalization factor
 void openmc_initialize_mesh_egrid(
diff --git a/pyproject.toml b/pyproject.toml
index 098487c06..c769fb7d7 100644
--- a/pyproject.toml
+++ b/pyproject.toml
@@ -40,6 +40,7 @@ dependencies = [
 [project.optional-dependencies]
 depletion-mpi = ["mpi4py"]
 docs = [
+    "breathe",
     "sphinx",
     "sphinxcontrib-katex",
     "sphinx-numfig",

From 05d01274a7ae5f999300843c6604a6cddf2b6546 Mon Sep 17 00:00:00 2001
From: Mazeyar Moeini Feizabadi <mazy.moeini@gmail.com>
Date: Sun, 19 Jul 2026 21:49:48 +0200
Subject: [PATCH 2651/2654] Add analytic tests for ray-traced intersection
 distances (#4014)

---
 CMakeLists.txt                      |   2 +-
 tests/cpp_unit_tests/CMakeLists.txt |   1 +
 tests/cpp_unit_tests/test_ray.cpp   | 117 ++++++++++++++++++++++++++++
 3 files changed, 119 insertions(+), 1 deletion(-)
 create mode 100644 tests/cpp_unit_tests/test_ray.cpp

diff --git a/CMakeLists.txt b/CMakeLists.txt
index d5af01610..61d2cc6c5 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -532,7 +532,7 @@ else()
 endif()
 
 if(OPENMC_USE_DAGMC)
-  target_compile_definitions(libopenmc PRIVATE OPENMC_DAGMC_ENABLED)
+  target_compile_definitions(libopenmc PUBLIC OPENMC_DAGMC_ENABLED)
   target_link_libraries(libopenmc dagmc-shared)
 
   if(OPENMC_USE_UWUW)
diff --git a/tests/cpp_unit_tests/CMakeLists.txt b/tests/cpp_unit_tests/CMakeLists.txt
index ce7e539ea..3eb88f023 100644
--- a/tests/cpp_unit_tests/CMakeLists.txt
+++ b/tests/cpp_unit_tests/CMakeLists.txt
@@ -6,6 +6,7 @@ set(TEST_NAMES
   test_math
   test_mcpl_stat_sum
   test_mesh
+  test_ray
   test_region
   test_tensor
   # Add additional unit test files here
diff --git a/tests/cpp_unit_tests/test_ray.cpp b/tests/cpp_unit_tests/test_ray.cpp
new file mode 100644
index 000000000..c043c4d25
--- /dev/null
+++ b/tests/cpp_unit_tests/test_ray.cpp
@@ -0,0 +1,117 @@
+#include <cmath>
+#include <utility>
+
+#include <catch2/catch_test_macros.hpp>
+#include <catch2/matchers/catch_matchers_floating_point.hpp>
+#include <pugixml.hpp>
+
+#include "openmc/geometry.h"
+#include "openmc/geometry_aux.h"
+#include "openmc/ray.h"
+#include "openmc/settings.h"
+#include "openmc/surface.h"
+
+namespace {
+
+using Catch::Matchers::WithinAbs;
+
+constexpr double DISTANCE_TOLERANCE = 1.0e-12;
+
+class SphericalShellFixture {
+public:
+  SphericalShellFixture()
+    : run_mode_(openmc::settings::run_mode),
+      root_universe_(openmc::model::root_universe),
+      n_coord_levels_(openmc::model::n_coord_levels)
+  {
+    openmc::settings::run_mode = openmc::RunMode::PLOTTING;
+
+    constexpr auto geometry = R"(
+      <geometry>
+        <surface id="1" type="sphere" coeffs="0 0 0 1"/>
+        <surface id="2" type="sphere" coeffs="0 0 0 2"
+                 boundary="vacuum"/>
+        <cell id="1" material="void" region="-1"/>
+        <cell id="2" material="void" region="1 -2"/>
+      </geometry>
+    )";
+
+    auto result = document_.load_string(geometry);
+    REQUIRE(result);
+    openmc::read_geometry_xml(document_.document_element());
+    openmc::finalize_geometry();
+    openmc::finalize_cell_densities();
+  }
+
+  ~SphericalShellFixture()
+  {
+    openmc::free_memory_geometry();
+    openmc::free_memory_surfaces();
+    openmc::model::universe_level_counts.clear();
+    openmc::model::root_universe = root_universe_;
+    openmc::model::n_coord_levels = n_coord_levels_;
+    openmc::settings::run_mode = run_mode_;
+  }
+
+private:
+  pugi::xml_document document_;
+  openmc::RunMode run_mode_;
+  int root_universe_;
+  int n_coord_levels_;
+};
+
+class RecordingRay : public openmc::Ray {
+public:
+  using Ray::Ray;
+
+  void on_intersection() override
+  {
+    intersections.emplace_back(
+      traversal_distance_, boundary().surface_index() + 1);
+  }
+
+  openmc::vector<std::pair<double, int>> intersections;
+};
+
+} // namespace
+
+TEST_CASE_METHOD(SphericalShellFixture, "Trace a single chord through a sphere")
+{
+  constexpr double impact_parameter = 1.5;
+  const double half_chord =
+    std::sqrt(4.0 - impact_parameter * impact_parameter);
+
+  RecordingRay ray({-3.0, impact_parameter, 0.0}, {1.0, 0.0, 0.0});
+  ray.trace();
+
+  REQUIRE(ray.intersections.size() == 2);
+  CHECK(ray.intersections[0].second == 2);
+  CHECK_THAT(ray.intersections[0].first, WithinAbs(0.0, DISTANCE_TOLERANCE));
+  CHECK(ray.intersections[1].second == 2);
+  CHECK_THAT(ray.intersections[1].first,
+    WithinAbs(2.0 * half_chord, DISTANCE_TOLERANCE));
+}
+
+TEST_CASE_METHOD(
+  SphericalShellFixture, "Trace both segments of a spherical shell")
+{
+  constexpr double impact_parameter = 0.5;
+  const double outer = std::sqrt(4.0 - impact_parameter * impact_parameter);
+  const double inner = std::sqrt(1.0 - impact_parameter * impact_parameter);
+
+  RecordingRay ray({-3.0, impact_parameter, 0.0}, {1.0, 0.0, 0.0});
+  ray.trace();
+
+  REQUIRE(ray.intersections.size() == 4);
+  CHECK(ray.intersections[0].second == 2);
+  CHECK_THAT(ray.intersections[0].first, WithinAbs(0.0, DISTANCE_TOLERANCE));
+  CHECK(ray.intersections[1].second == 1);
+  CHECK_THAT(
+    ray.intersections[1].first, WithinAbs(outer - inner, DISTANCE_TOLERANCE));
+  CHECK(ray.intersections[2].second == 1);
+  CHECK_THAT(
+    ray.intersections[2].first, WithinAbs(outer + inner, DISTANCE_TOLERANCE));
+  CHECK(ray.intersections[3].second == 2);
+  CHECK_THAT(
+    ray.intersections[3].first, WithinAbs(2.0 * outer, DISTANCE_TOLERANCE));
+}

From 61c8a59cff0806384ee7c2662af9c995362a30d6 Mon Sep 17 00:00:00 2001
From: GuySten <62616591+GuySten@users.noreply.github.com>
Date: Mon, 20 Jul 2026 17:52:30 +0300
Subject: [PATCH 2652/2654] Override NJOY default damage energy threshold
 (#4022)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 openmc/data/njoy.py | 10 +++++++---
 1 file changed, 7 insertions(+), 3 deletions(-)

diff --git a/openmc/data/njoy.py b/openmc/data/njoy.py
index ddc68cc37..7c99637f0 100644
--- a/openmc/data/njoy.py
+++ b/openmc/data/njoy.py
@@ -259,14 +259,14 @@ broadr / %%%%%%%%%%%%%%%%%%%%%%% Doppler broaden XS %%%%%%%%%%%%%%%%%%%%%%%%%%%%
 _TEMPLATE_HEATR = """
 heatr / %%%%%%%%%%%%%%%%%%%%%%%%% Add heating kerma %%%%%%%%%%%%%%%%%%%%%%%%%%%%
 {nendf} {nheatr_in} {nheatr} /
-{mat} 4 0 0 0 /
+{mat} 4 0 0 0 0 {ed}/
 302 318 402 444 /
 """
 
 _TEMPLATE_HEATR_LOCAL = """
 heatr / %%%%%%%%%%%%%%%%% Add heating kerma (local photons) %%%%%%%%%%%%%%%%%%%%
 {nendf} {nheatr_in} {nheatr_local} /
-{mat} 4 0 0 1 /
+{mat} 4 0 0 1 0 {ed}/
 302 318 402 444 /
 """
 
@@ -411,7 +411,7 @@ def make_pendf(filename, pendf='pendf', **kwargs):
 def make_ace(filename, temperatures=None, acer=True, xsdir=None,
              output_dir=None, pendf=False, error=0.001, broadr=True,
              heatr=True, gaspr=True, purr=True, evaluation=None,
-             smoothing=True, **kwargs):
+             smoothing=True, displacement_energy=None, **kwargs):
     """Generate incident neutron ACE file from an ENDF file
 
     File names can be passed to
@@ -463,6 +463,9 @@ def make_ace(filename, temperatures=None, acer=True, xsdir=None,
         indicates which evaluation should be used.
     smoothing : bool, optional
         If the smoothing option (ACER card 6) is on (True) or off (False).
+    displacement_energy : float, optional
+        Threshold displacement energy in [eV]. Used in HEATR to calculate
+        damage-energy cross section. When None, use NJOY defaults.
     **kwargs
         Keyword arguments passed to :func:`openmc.data.njoy.run`
 
@@ -515,6 +518,7 @@ def make_ace(filename, temperatures=None, acer=True, xsdir=None,
 
     # heatr
     if heatr:
+        ed = displacement_energy if displacement_energy is not None else 0
         nheatr_in = nlast
         nheatr_local = nheatr_in + 1
         tapeout[nheatr_local] = (output_dir / "heatr_local") if heatr is True \

From 852f92780c9c82dae7f5fbcfff91165510719f90 Mon Sep 17 00:00:00 2001
From: Satoshi Misumi <18492524+lzpel@users.noreply.github.com>
Date: Wed, 22 Jul 2026 00:45:41 +0900
Subject: [PATCH 2653/2654] Fix M_PI being unavailable where _USE_MATH_DEFINES
 comes too late (#4023)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 examples/custom_source/source_ring.cpp              |  1 +
 .../parameterized_source_ring.cpp                   |  1 +
 src/external/quartic_solver.cpp                     |  2 +-
 src/mesh.cpp                                        | 13 ++++++-------
 src/plot.cpp                                        |  3 +--
 5 files changed, 10 insertions(+), 10 deletions(-)

diff --git a/examples/custom_source/source_ring.cpp b/examples/custom_source/source_ring.cpp
index 5ab531a4a..bce6c27eb 100644
--- a/examples/custom_source/source_ring.cpp
+++ b/examples/custom_source/source_ring.cpp
@@ -1,3 +1,4 @@
+#define _USE_MATH_DEFINES
 #include <cmath>  // for M_PI
 #include <memory> // for unique_ptr
 
diff --git a/examples/parameterized_custom_source/parameterized_source_ring.cpp b/examples/parameterized_custom_source/parameterized_source_ring.cpp
index 9756e1b97..3aabf3581 100644
--- a/examples/parameterized_custom_source/parameterized_source_ring.cpp
+++ b/examples/parameterized_custom_source/parameterized_source_ring.cpp
@@ -1,3 +1,4 @@
+#define _USE_MATH_DEFINES
 #include <cmath>
 #include <memory>
 #include <unordered_map>
diff --git a/src/external/quartic_solver.cpp b/src/external/quartic_solver.cpp
index 915020ffa..71bdb25c3 100644
--- a/src/external/quartic_solver.cpp
+++ b/src/external/quartic_solver.cpp
@@ -1,5 +1,5 @@
-#include <algorithm>
 #define _USE_MATH_DEFINES // to make M_PI declared in Intel and MSVC compilers
+#include <algorithm>
 #include <cmath>
 #include <complex>
 #include <cstdlib>
diff --git a/src/mesh.cpp b/src/mesh.cpp
index 89d1ff24b..b05560d2a 100644
--- a/src/mesh.cpp
+++ b/src/mesh.cpp
@@ -1,11 +1,10 @@
 #include "openmc/mesh.h"
 #include <algorithm> // for copy, equal, min, min_element
 #include <cassert>
-#include <cstdint>        // for uint64_t
-#include <cstring>        // for memcpy
-#define _USE_MATH_DEFINES // to make M_PI declared in Intel and MSVC compilers
-#include <cmath>          // for ceil
-#include <cstddef>        // for size_t
+#include <cmath>   // for ceil
+#include <cstddef> // for size_t
+#include <cstdint> // for uint64_t
+#include <cstring> // for memcpy
 #include <limits>
 #include <numeric> // for accumulate
 #include <string>
@@ -1829,7 +1828,7 @@ StructuredMesh::MeshIndex CylindricalMesh::get_indices(
   } else {
     mapped_r[1] = std::atan2(r.y, r.x);
     if (mapped_r[1] < 0)
-      mapped_r[1] += 2 * M_PI;
+      mapped_r[1] += 2 * PI;
   }
 
   MeshIndex idx = StructuredMesh::get_indices(mapped_r, in_mesh);
@@ -2123,7 +2122,7 @@ StructuredMesh::MeshIndex SphericalMesh::get_indices(
     mapped_r[1] = std::acos(r.z / mapped_r.x);
     mapped_r[2] = std::atan2(r.y, r.x);
     if (mapped_r[2] < 0)
-      mapped_r[2] += 2 * M_PI;
+      mapped_r[2] += 2 * PI;
   }
 
   MeshIndex idx = StructuredMesh::get_indices(mapped_r, in_mesh);
diff --git a/src/plot.cpp b/src/plot.cpp
index 96df1c5be..5c4eb9460 100644
--- a/src/plot.cpp
+++ b/src/plot.cpp
@@ -1,7 +1,6 @@
 #include "openmc/plot.h"
 
 #include <algorithm>
-#define _USE_MATH_DEFINES // to make M_PI declared in Intel and MSVC compilers
 #include <cmath>
 #include <cstdio>
 #include <fstream>
@@ -1328,7 +1327,7 @@ std::pair<Position, Direction> RayTracePlot::get_pixel_ray(
   int horiz, int vert) const
 {
   // Compute field of view in radians
-  constexpr double DEGREE_TO_RADIAN = M_PI / 180.0;
+  constexpr double DEGREE_TO_RADIAN = PI / 180.0;
   double horiz_fov_radians = horizontal_field_of_view_ * DEGREE_TO_RADIAN;
   double p0 = static_cast<double>(pixels()[0]);
   double p1 = static_cast<double>(pixels()[1]);

From 54b661d39f29b78ed47a36e7b903aab0e97cfa82 Mon Sep 17 00:00:00 2001
From: John Tramm <john.tramm@gmail.com>
Date: Wed, 22 Jul 2026 00:38:20 -0500
Subject: [PATCH 2654/2654] MGXS Bootstrapping (#3965)

Co-authored-by: John Tramm <jtramm@gmail.com>
Co-authored-by: Claude Opus 4.8 <noreply@anthropic.com>
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
---
 docs/source/pythonapi/examples.rst            |   1 +
 docs/source/usersguide/random_ray.rst         | 120 ++++---
 include/openmc/constants.h                    |  13 +
 openmc/examples.py                            | 151 +++++++--
 openmc/model/model.py                         | 294 ++++++++++--------
 openmc/settings.py                            |   6 +-
 src/random_ray/random_ray_simulation.cpp      |   5 +
 src/weight_windows.cpp                        |  29 +-
 .../random_ray_auto_convert/test.py           |   3 +-
 .../__init__.py                               |   0
 .../inputs_true.dat                           |  80 +++++
 .../results_true.dat                          |   9 +
 .../random_ray_auto_convert_bootstrap/test.py | 101 ++++++
 .../test.py                                   |   3 +-
 .../test.py                                   |   3 +-
 .../test.py                                   |   5 +-
 .../random_ray_diagonal_stabilization/test.py |   4 +-
 .../weightwindows/local/results_true.dat      |   2 +-
 .../dagmc/test_convert_to_multigroup.py       |   2 +-
 tests/unit_tests/test_model.py                | 156 ++++++++++
 tests/unit_tests/weightwindows/test.py        |   2 +-
 tests/unit_tests/weightwindows/test_ww_gen.py |   2 +-
 22 files changed, 787 insertions(+), 204 deletions(-)
 create mode 100644 tests/regression_tests/random_ray_auto_convert_bootstrap/__init__.py
 create mode 100644 tests/regression_tests/random_ray_auto_convert_bootstrap/inputs_true.dat
 create mode 100644 tests/regression_tests/random_ray_auto_convert_bootstrap/results_true.dat
 create mode 100644 tests/regression_tests/random_ray_auto_convert_bootstrap/test.py

diff --git a/docs/source/pythonapi/examples.rst b/docs/source/pythonapi/examples.rst
index e7ef523c0..9efbd29c7 100644
--- a/docs/source/pythonapi/examples.rst
+++ b/docs/source/pythonapi/examples.rst
@@ -11,6 +11,7 @@ Simple Models
    :template: myfunction.rst
 
    openmc.examples.slab_mg
+   openmc.examples.sphere_with_shielded_pocket
 
 Reactor Models
 --------------
diff --git a/docs/source/usersguide/random_ray.rst b/docs/source/usersguide/random_ray.rst
index 06d4e50ed..81db61ae0 100644
--- a/docs/source/usersguide/random_ray.rst
+++ b/docs/source/usersguide/random_ray.rst
@@ -642,13 +642,11 @@ model to use these multigroup cross sections. An example is given below::
   model.convert_to_multigroup(
       method="material_wise",
       groups="CASMO-2",
-      nparticles=2000,
       overwrite_mgxs_library=False,
       mgxs_path="mgxs.h5",
       correction=None,
       source_energy=None,
-      temperatures=None,
-      temperature_settings=None
+      temperatures=None
   )
 
 The most important parameter to set is the ``method`` parameter, which can be
@@ -672,7 +670,9 @@ of these methods is given below:
          both spatial and resonance self shielding effects
      - * Potentially slower as the full geometry must be run
        * If a material is only present far from the source and doesn't get tallied
-         to in the CE simulation, the MGXS will be zero for that material.
+         to in the CE simulation, the MGXS will be zero for that material. This
+         can be mitigated by supplying weight windows via ``weight_windows_file``
+         (see :ref:`mgxs_bootstrap`).
    * - ``stochastic_slab``
      - * Medium Fidelity
        * Runs a CE simulation with a greatly simplified geometry, where materials
@@ -693,12 +693,20 @@ of these methods is given below:
 
 When selecting a non-default energy group structure, you can manually define
 group boundaries or specify the name of a known group structure (a list of which
-can be found at :data:`openmc.mgxs.GROUP_STRUCTURES`). The ``nparticles``
-parameter can be adjusted upward to improve the fidelity of the generated cross
-section library. The ``correction`` parameter can be set to ``"P0"`` to enable
-P0 transport correction. The ``overwrite_mgxs_library`` parameter can be set to
-``True`` to overwrite an existing MGXS library file, or ``False`` to skip
-generation and use an existing library file.
+can be found at :data:`openmc.mgxs.GROUP_STRUCTURES`). The ``correction``
+parameter can be set to ``"P0"`` to enable P0 transport correction. The
+``overwrite_mgxs_library`` parameter can be set to ``True`` to overwrite an
+existing MGXS library file, or ``False`` to skip generation and use an existing
+library file.
+
+The continuous energy simulations used to generate the cross section library
+can be customized by passing :class:`openmc.Settings` attributes as keyword
+arguments; only the fields you set override the generation defaults. For
+example, the number of particles per batch (2,000 by default) can be
+increased to improve the fidelity of the generated cross section library
+as::
+
+  model.convert_to_multigroup(particles=100_000)
 
 .. note::
     MGXS transport correction (via setting the ``correction`` parameter in the
@@ -739,15 +747,13 @@ The ``temperatures`` parameter can be provided if temperature-dependent
 multi-group cross sections are desired for multi-physics simulations. An
 individual cross section generation calculation is run for each temperature
 provided, where the materials in the model are set to the temperature. The
-temperature settings used during cross section generation can be specified with the
-``temperature_settings`` parameter. If no ``temperature_settings`` are provided,
-the settings contained in the model will be used. The valid keys and values in the
-``temperature_settings`` dictionary are identical to
-:attr:`openmc.Settings.temperature_settings`; more information can be found in
-:class:`openmc.Settings` . This approach yields isothermal cross section interpolation
-tables, which can be inaccurate for systems with large differences between temperatures
-in each material (often the case in fission reactors). If a more sophisticated
-temperature-dependence is required, we recommend generating cross sections manually.
+temperature settings used during cross section generation default to those
+contained in the model and can be customized with the ``temperature`` keyword
+argument to :meth:`openmc.Model.convert_to_multigroup`. This approach yields
+isothermal cross section interpolation tables, which can be inaccurate for
+systems with large differences between temperatures in each material (often the
+case in fission reactors). If a more sophisticated temperature-dependence is
+required, we recommend generating cross sections manually.
 
 Ultimately, the methods described above are all just approximations.
 Approximations in the generated MGXS data will fundamentally limit the potential
@@ -757,6 +763,50 @@ simulation, and if more fidelity is needed the user may wish to follow the
 instructions below or experiment with transport correction techniques to improve
 the fidelity of the generated MGXS data.
 
+.. _mgxs_bootstrap:
+
+~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+Bootstrapping Material-Wise MGXS with Weight Windows
+~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+
+The ``"material_wise"`` method runs a continuous energy simulation of the
+original geometry, so it produces the highest fidelity cross sections of the
+three methods. However, it has a notable weakness: if a material only appears
+far from the source (for example, a detector or structural material located
+outside a thick shield), an analog continuous energy simulation may be unable to
+transport any particles to that material. No tallies are scored there, and the
+resulting cross sections for that material are zero. This situation is common in
+shielding problems.
+
+This limitation can be overcome by "bootstrapping" the cross section generation
+with weight windows. The idea is to first cheaply produce a set of weight
+windows that cover the entire problem and then reuse them to push particles into
+the far regions during the higher fidelity ``"material_wise"`` solve. The weight
+windows are generated using the ``"stochastic_slab"`` method (which produces
+cross sections for *all* materials regardless of their location) together with
+the random ray solver and a :class:`~openmc.WeightWindowGenerator`, exactly as
+described in the :ref:`FW-CADIS user guide <usersguide_fw_cadis>`. The resulting
+``weight_windows.h5`` file is then supplied to a second, higher fidelity
+``"material_wise"`` cross section generation by passing
+``weight_windows_file``::
+
+    # First, generate weight windows with the stochastic slab method and random
+    # ray (see the FW-CADIS user guide), producing a weight_windows.h5 file.
+    ...
+
+    # Then, bootstrap a higher fidelity material-wise library, applying those
+    # weight windows during the continuous energy solve so that particles can
+    # reach materials far from the source.
+    model.convert_to_multigroup(
+        weight_windows_file="weight_windows.h5", overwrite_mgxs_library=True)
+
+The ``weight_windows_file`` setting is only used with the
+``"material_wise"`` method, as the ``"stochastic_slab"`` and
+``"infinite_medium"`` methods use simplified surrogate geometries that are
+incompatible with a weight window mesh defined over the original geometry (and
+do not need weight windows, since they already tally all materials). A warning
+is issued and the file is ignored if it is supplied to another method.
+
 ~~~~~~~~~~~~
 The Hard Way
 ~~~~~~~~~~~~
@@ -1075,9 +1125,9 @@ The adjoint flux random ray solver mode can be enabled as::
 
     settings.random_ray['adjoint'] = True
 
-When enabled, OpenMC will first run a forward transport simulation if there are 
-no user-specified adjoint sources present, followed by an adjoint transport 
-simulation. Fixed adjoint sources can be specified on the 
+When enabled, OpenMC will first run a forward transport simulation if there are
+no user-specified adjoint sources present, followed by an adjoint transport
+simulation. Fixed adjoint sources can be specified on the
 :attr:`openmc.Settings.random_ray` dictionary as follows::
 
     # Geometry definition
@@ -1090,21 +1140,21 @@ simulation. Fixed adjoint sources can be specified on the
     energy_distribution = openmc.stats.Discrete(x=midpoints, p=strengths)
 
     adj_source = openmc.IndependentSource(
-        energy=energy_distribution, 
+        energy=energy_distribution,
         constraints={'domains': [detector_cell]}
     )
 
     # Add to random_ray dict
     settings.random_ray['adjoint_source'] = adj_source
 
-The same constraints apply to the user-defined adjoint source as to the forward 
-source, described in the :ref:`Fixed Source and Eigenvalue section 
-<usersguide_random_ray_run_modes>`. If this source is not provided, a forward 
-solve must take place to compute the adjoint external source when a forward 
-external source is present in the problem. Simulation settings (e.g., number of 
-rays, batches, etc.) will be identical for both calculations. At the 
-conclusion of the run, all results (e.g., tallies, plots, etc.) will be 
-derived from the adjoint flux rather than the forward flux but are not labeled 
+The same constraints apply to the user-defined adjoint source as to the forward
+source, described in the :ref:`Fixed Source and Eigenvalue section
+<usersguide_random_ray_run_modes>`. If this source is not provided, a forward
+solve must take place to compute the adjoint external source when a forward
+external source is present in the problem. Simulation settings (e.g., number of
+rays, batches, etc.) will be identical for both calculations. At the
+conclusion of the run, all results (e.g., tallies, plots, etc.) will be
+derived from the adjoint flux rather than the forward flux but are not labeled
 any differently. When an initial forward solve is performed (i.e., when no
 user-specified adjoint source is present), its output files are also written to
 disk with a ``forward`` infix, so they are not overwritten by the subsequent
@@ -1116,10 +1166,10 @@ generating FW-CADIS weight windows, no weight window file is written for the
 forward solve, as only the final adjoint-derived weight windows are meaningful.
 
 .. note::
-    Use of the automated 
-    :ref:`FW-CADIS weight window generator<usersguide_fw_cadis>` is not 
-    currently compatible with user-defined adjoint sources. Instead, the 
-    initial forward calculation is used to assign "forward-weighted" adjoint 
+    Use of the automated
+    :ref:`FW-CADIS weight window generator<usersguide_fw_cadis>` is not
+    currently compatible with user-defined adjoint sources. Instead, the
+    initial forward calculation is used to assign "forward-weighted" adjoint
     sources to the tally regions of interest.
 
 ---------------------------------------
diff --git a/include/openmc/constants.h b/include/openmc/constants.h
index 26b4a224c..a1d94e581 100644
--- a/include/openmc/constants.h
+++ b/include/openmc/constants.h
@@ -75,6 +75,19 @@ constexpr double ZERO_FLUX_CUTOFF {1e-22};
 // value will be converted to pure void.
 constexpr double MINIMUM_MACRO_XS {1e-6};
 
+// Relative dead band applied to weight window comparisons: particles split
+// only above upper * (1 + tol) and roulette only below lower * (1 - tol).
+// Weight window arithmetic can land a particle's weight exactly back on a
+// bound value (e.g., a roulette survivor is assigned survival_ratio * lower
+// and a later split divides that back down), in which case the branch taken
+// would be decided by the last ulp of the bound. Since window data carries
+// ulp-level noise from non-associative parallel reductions in the solver that
+// generated it, transport results would otherwise be chaotically sensitive to
+// bit-level differences in the weight window file. Treating weights within
+// the band as inside the window is statistically negligible, and weight
+// window games are unbiased regardless of where the thresholds sit.
+constexpr double WEIGHT_WINDOW_REL_TOL {1e-9};
+
 // ============================================================================
 // MATH AND PHYSICAL CONSTANTS
 
diff --git a/openmc/examples.py b/openmc/examples.py
index 6895bd94b..5429a59d4 100644
--- a/openmc/examples.py
+++ b/openmc/examples.py
@@ -1314,17 +1314,17 @@ def random_ray_three_region_cube() -> openmc.Model:
 def random_ray_three_region_cube_with_detectors() -> openmc.Model:
     """Create a three region cube model with two external tally regions.
 
-    This is an adaptation of the simple monoenergetic problem of a cube with 
-    three concentric cubic regions. The innermost region is near void (with 
-    Sigma_t around 10^-5) and contains an external isotropic source term, the 
-    middle region is a mild scatterer (with Sigma_t around 10^-3), and the 
-    outer region of the cube is a scatterer and absorber (with Sigma_t around 
+    This is an adaptation of the simple monoenergetic problem of a cube with
+    three concentric cubic regions. The innermost region is near void (with
+    Sigma_t around 10^-5) and contains an external isotropic source term, the
+    middle region is a mild scatterer (with Sigma_t around 10^-3), and the
+    outer region of the cube is a scatterer and absorber (with Sigma_t around
     1).
 
-    Two cubic "detector" regions are found outside this geometry, one along the 
-    y-axis near z=0, and the other in the upper right corner of the system. 
-    The size of each detector is scaled to be equal to that of the source 
-    region. The model returned by this function contains cell tallies on each 
+    Two cubic "detector" regions are found outside this geometry, one along the
+    y-axis near z=0, and the other in the upper right corner of the system.
+    The size of each detector is scaled to be equal to that of the source
+    region. The model returned by this function contains cell tallies on each
     detector.
 
     Returns
@@ -1498,29 +1498,29 @@ def random_ray_three_region_cube_with_detectors() -> openmc.Model:
         fill=absorber_mat,
         region=detector2_region
     )
-    
+
     external_x = (
-        +x_high & +y_low & +z_low & -x_outer & 
+        +x_high & +y_low & +z_low & -x_outer &
         ((-y_outer & -z_high) | (-y_high & +z_high & -z_outer))
     )
     external_y = (
-        +y_high & -y_outer & 
+        +y_high & -y_outer &
         (
-            (+detector1_right & -x_high & +z_low & -z_outer) | 
-            (-detector1_right & +x_low & +detector1_top & -z_outer) | 
+            (+detector1_right & -x_high & +z_low & -z_outer) |
+            (-detector1_right & +x_low & +detector1_top & -z_outer) |
             (+x_high & -x_outer & +z_low & -z_high)
         )
     )
     external_z = (
-        +x_low & +y_low & +z_high & -z_outer & 
+        +x_low & +y_low & +z_high & -z_outer &
         ((-y_outer & -x_high) | (-y_high & +x_high & -x_outer))
     )
-    external_cell = openmc.Cell(fill=cavity_mat, 
-                                region=(external_x | external_y | external_z), 
+    external_cell = openmc.Cell(fill=cavity_mat,
+                                region=(external_x | external_y | external_z),
                                 name='outside cube')
 
     root = openmc.Universe(
-        name='root universe', 
+        name='root universe',
         cells=[cube_domain, detector1, detector2, external_cell]
     )
 
@@ -1604,8 +1604,8 @@ def random_ray_three_region_cube_with_detectors() -> openmc.Model:
     source_tally.estimator = estimator
 
     # Instantiate a Tallies collection and export to XML
-    tallies = openmc.Tallies([detector1_tally, 
-                              detector2_tally, 
+    tallies = openmc.Tallies([detector1_tally,
+                              detector2_tally,
                               absorber_tally,
                               cavity_tally,
                               source_tally])
@@ -1619,3 +1619,114 @@ def random_ray_three_region_cube_with_detectors() -> openmc.Model:
     model.tallies = tallies
 
     return model
+
+
+def sphere_with_shielded_pocket() -> openmc.Model:
+    """Create a continuous energy deep-shielding model with a far detector pocket.
+
+    A concrete sphere is centered at the origin. A 2 MeV isotropic neutron
+    source sits in a small air cavity just inside the sphere surface on the -x
+    side, and a small steel pocket is embedded flush with the surface on the
+    +x axis, so roughly a meter of concrete separates the source from the
+    pocket while only a few centimeters of concrete back the cavity. The
+    sphere is enclosed in a vacuum-bounded box, with a void gap in between, so
+    that solvers that sample uniformly over a rectangular domain (e.g.,
+    random ray) can be applied directly. The geometry is designed for testing
+    weight window and variance reduction workflows:
+
+    - The probability that an analog source neutron reaches the steel pocket is
+      ~4e-5 (the product of the concrete attenuation and the pocket's small
+      solid angle), so an analog simulation with a few hundred histories
+      essentially never tallies the steel, while even crude global weight
+      windows allow particles to reach it reliably.
+    - Because the cavity sits near the surface, deep shielding (and thus a wide
+      weight window dynamic range) exists only within the small solid angle
+      subtended by the pocket, which keeps weight window splitting cheap and
+      convergent and the whole model fast enough for regression testing.
+
+    Returns
+    -------
+    model : openmc.Model
+        A deep-shielding model with a steel pocket behind a thick concrete
+        shield
+
+    """
+    model = openmc.Model()
+
+    ###########################################################################
+    # Materials (few nuclides, to keep data loading cheap in multi-solve tests)
+
+    air = openmc.Material(name='Air')
+    air.set_density('g/cm3', 0.001225)
+    air.add_nuclide('N14', 0.79, 'ao')
+    air.add_nuclide('O16', 0.21, 'ao')
+
+    concrete = openmc.Material(name='Concrete')
+    concrete.set_density('g/cm3', 2.3)
+    concrete.add_nuclide('H1', 0.168759, 'ao')
+    concrete.add_nuclide('O16', 0.562489, 'ao')
+    concrete.add_nuclide('Si28', 0.203031, 'ao')
+    concrete.add_nuclide('Ca40', 0.044849, 'ao')
+    concrete.add_nuclide('Al27', 0.020872, 'ao')
+
+    steel = openmc.Material(name='Steel')
+    steel.set_density('g/cm3', 7.87)
+    steel.add_nuclide('Fe56', 1.0)
+
+    ###########################################################################
+    # Geometry
+
+    # ~92 cm of concrete separates the cavity from the pocket face, while only
+    # ~6 cm of concrete backs the cavity on the -x side, so deep shielding is
+    # confined to the solid angle subtended by the pocket.
+    r_sphere = 66.0
+    box_half_width = 70.0
+    cavity_center_x = -54.0
+    cavity_half_width = 6.0
+    pocket_inner_face = 44.0
+    pocket_half_width = 4.0
+
+    sphere = openmc.Sphere(r=r_sphere)
+    outer_box = openmc.model.RectangularParallelepiped(
+        -box_half_width, box_half_width,
+        -box_half_width, box_half_width,
+        -box_half_width, box_half_width, boundary_type='vacuum')
+    cavity_box = openmc.model.RectangularParallelepiped(
+        cavity_center_x - cavity_half_width, cavity_center_x + cavity_half_width,
+        -cavity_half_width, cavity_half_width,
+        -cavity_half_width, cavity_half_width)
+    # The pocket box extends past the sphere surface and is clipped by it, so
+    # the pocket sits flush with (and just inside) the outer surface.
+    pocket_box = openmc.model.RectangularParallelepiped(
+        pocket_inner_face, r_sphere + 1.0,
+        -pocket_half_width, pocket_half_width,
+        -pocket_half_width, pocket_half_width)
+
+    cavity_cell = openmc.Cell(name='cavity', fill=air, region=-cavity_box)
+    pocket_cell = openmc.Cell(name='pocket', fill=steel,
+                              region=-pocket_box & -sphere)
+    concrete_cell = openmc.Cell(
+        name='concrete', fill=concrete,
+        region=-sphere & +cavity_box & ~(-pocket_box & -sphere))
+    void_cell = openmc.Cell(name='void', region=+sphere & -outer_box)
+
+    model.geometry = openmc.Geometry(
+        [cavity_cell, pocket_cell, concrete_cell, void_cell])
+
+    ###########################################################################
+    # Source and settings
+
+    source = openmc.IndependentSource()
+    source.space = openmc.stats.Box(
+        [cavity_center_x - cavity_half_width, -cavity_half_width, -cavity_half_width],
+        [cavity_center_x + cavity_half_width, cavity_half_width, cavity_half_width])
+    source.constraints = {'domains': [cavity_cell]}
+    source.angle = openmc.stats.Isotropic()
+    source.energy = openmc.stats.delta_function(2.0e6)
+
+    model.settings.run_mode = 'fixed source'
+    model.settings.source = source
+    model.settings.particles = 1000
+    model.settings.batches = 10
+
+    return model
diff --git a/openmc/model/model.py b/openmc/model/model.py
index c437d2033..c3bfa3b55 100644
--- a/openmc/model/model.py
+++ b/openmc/model/model.py
@@ -1898,12 +1898,10 @@ class Model:
 
         Parameters
         ----------
+        model : openmc.Model
+            The model to generate the MGXS library from.
         groups : openmc.mgxs.EnergyGroups
             Energy group structure for the MGXS.
-        nparticles : int
-            Number of particles to simulate per batch when generating MGXS.
-        mgxs_path : str
-            Filename for the MGXS HDF5 file.
         correction : str
             Transport correction to apply to the MGXS. Options are None and
             "P0".
@@ -2055,11 +2053,10 @@ class Model:
     def _isothermal_infinite_media_mgxs(
         material: openmc.Material,
         groups: openmc.mgxs.EnergyGroups,
-        nparticles: int,
+        settings: openmc.Settings,
         correction: str | None,
         directory: PathLike,
         source: openmc.IndependentSource,
-        temperature_settings: dict,
         temperature: float | None = None,
     ) -> openmc.XSdata:
         """Generate a single MGXS set for one material, where the geometry is an
@@ -2071,8 +2068,9 @@ class Model:
             The material to generate MGXS for
         groups : openmc.mgxs.EnergyGroups
             Energy group structure for the MGXS.
-        nparticles : int
-            Number of particles to simulate per batch when generating MGXS.
+        settings : openmc.Settings
+            Settings for the generation run, used verbatim except for the
+            fields owned by the infinite medium method.
         correction : str
             Transport correction to apply to the MGXS. Options are None and
             "P0".
@@ -2080,10 +2078,6 @@ class Model:
             Directory to run the simulation in, so as to contain XML files.
         source : openmc.IndependentSource
             Source to use when generating MGXS.
-        temperature_settings : dict
-            A dictionary of temperature settings to use when generating MGXS.
-            Valid entries for temperature_settings are the same as the valid
-            entries in openmc.Settings.temperature_settings.
         temperature : float, optional
             The isothermal temperature value to apply to the material. If not specified,
             defaults to the temperature in the material.
@@ -2100,18 +2094,11 @@ class Model:
         if temperature is not None:
           model.materials[-1].temperature = temperature
 
-        # Settings
-        model.settings.batches = 100
-        model.settings.particles = nparticles
-
+        # The provided settings are used verbatim, except for the fields
+        # owned by the infinite medium method
+        model.settings = copy.deepcopy(settings)
         model.settings.source = source
 
-        model.settings.run_mode = 'fixed source'
-        model.settings.create_fission_neutrons = False
-
-        model.settings.output = {'summary': True, 'tallies': False}
-        model.settings.temperature = temperature_settings
-
         # Geometry
         box = openmc.model.RectangularPrism(
             100000.0, 100000.0, boundary_type='reflective')
@@ -2133,13 +2120,12 @@ class Model:
     def _generate_infinite_medium_mgxs(
         self,
         groups: openmc.mgxs.EnergyGroups,
-        nparticles: int,
+        settings: openmc.Settings,
         mgxs_path: PathLike,
         correction: str | None,
         directory: PathLike,
         source_energy: openmc.stats.Univariate | None = None,
         temperatures: Sequence[float] | None = None,
-        temperature_settings: dict | None = None,
     ) -> None:
         """Generate a MGXS library by running multiple OpenMC simulations, each
         representing an infinite medium simulation of a single isolated
@@ -2168,8 +2154,9 @@ class Model:
         ----------
         groups : openmc.mgxs.EnergyGroups
             Energy group structure for the MGXS.
-        nparticles : int
-            Number of particles to simulate per batch when generating MGXS.
+        settings : openmc.Settings
+            Settings for the generation run(s), used verbatim except for the
+            fields owned by the infinite medium method.
         mgxs_path : str
             Filename for the MGXS HDF5 file.
         correction : str
@@ -2184,10 +2171,6 @@ class Model:
             A list of temperatures to generate MGXS at. Each infinite material region
             is isothermal at a given temperature data point for cross
             section generation.
-        temperature_settings : dict, optional
-            A dictionary of temperature settings to use when generating MGXS.
-            Valid entries for temperature_settings are the same as the valid
-            entries in openmc.Settings.temperature_settings.
         """
 
         src = self._create_mgxs_sources(
@@ -2196,23 +2179,16 @@ class Model:
             source_energy=source_energy
         )
 
-        temp_settings = {}
-        if temperature_settings is None:
-            temp_settings = self.settings.temperature
-        else:
-            temp_settings = temperature_settings
-
         if temperatures is None:
             mgxs_sets = []
             for material in self.materials:
                 xs_data = Model._isothermal_infinite_media_mgxs(
                     material,
                     groups,
-                    nparticles,
+                    settings,
                     correction,
                     directory,
-                    src,
-                    temp_settings
+                    src
                 )
                 mgxs_sets.append(xs_data)
 
@@ -2230,11 +2206,10 @@ class Model:
                     xs_data = Model._isothermal_infinite_media_mgxs(
                         material,
                         groups,
-                        nparticles,
+                        settings,
                         correction,
                         directory,
                         src,
-                        temp_settings,
                         temperature
                     )
                     raw_mgxs_sets[temperature].append(xs_data)
@@ -2332,11 +2307,10 @@ class Model:
     def _isothermal_stochastic_slab_mgxs(
         stoch_geom: openmc.Geometry,
         groups: openmc.mgxs.EnergyGroups,
-        nparticles: int,
+        settings: openmc.Settings,
         correction: str | None,
         directory: PathLike,
         source: openmc.IndependentSource,
-        temperature_settings: dict,
         temperature: float | None = None,
     ) -> dict[str, openmc.XSdata]:
         """Generate MGXS assuming a stochastic "sandwich" of materials in a layered
@@ -2349,8 +2323,9 @@ class Model:
             The stochastic slab geometry.
         groups : openmc.mgxs.EnergyGroups
             Energy group structure for the MGXS.
-        nparticles : int
-            Number of particles to simulate per batch when generating MGXS.
+        settings : openmc.Settings
+            Settings for the generation run, used verbatim except for the
+            fields owned by the stochastic slab method.
         correction : str
             Transport correction to apply to the MGXS. Options are None and
             "P0".
@@ -2358,10 +2333,6 @@ class Model:
             Directory to run the simulation in, so as to contain XML files.
         source : openmc.IndependentSource
             Source to use when generating MGXS.
-        temperature_settings : dict
-            A dictionary of temperature settings to use when generating MGXS.
-            Valid entries for temperature_settings are the same as the valid
-            entries in openmc.Settings.temperature_settings.
         temperature : float, optional
             The isothermal temperature value to apply to the materials in the
             slab. If not specified, defaults to the temperature in the materials.
@@ -2379,21 +2350,11 @@ class Model:
             for material in model.geometry.get_all_materials().values():
                 material.temperature = temperature
 
-        # Settings
-        model.settings.batches = 200
-        model.settings.inactive = 100
-        model.settings.particles = nparticles
-        model.settings.output = {'summary': True, 'tallies': False}
-        model.settings.temperature = temperature_settings
-
-        # Define the sources
+        # The provided settings are used verbatim, except for the fields
+        # owned by the stochastic slab method
+        model.settings = copy.deepcopy(settings)
         model.settings.source = source
 
-        model.settings.run_mode = 'fixed source'
-        model.settings.create_fission_neutrons = False
-
-        model.settings.output = {'summary': True, 'tallies': False}
-
         # Generate MGXS
         mgxs_lib = Model._auto_generate_mgxs_lib(
                 model, groups, correction, directory)
@@ -2414,13 +2375,12 @@ class Model:
     def _generate_stochastic_slab_mgxs(
         self,
         groups: openmc.mgxs.EnergyGroups,
-        nparticles: int,
+        settings: openmc.Settings,
         mgxs_path: PathLike,
         correction: str | None,
         directory: PathLike,
         source_energy: openmc.stats.Univariate | None = None,
         temperatures: Sequence[float] | None = None,
-        temperature_settings: dict | None = None,
     ) -> None:
         """Generate MGXS assuming a stochastic "sandwich" of materials in a layered
         slab geometry. While geometry-specific spatial shielding effects are not
@@ -2438,8 +2398,9 @@ class Model:
         ----------
         groups : openmc.mgxs.EnergyGroups
             Energy group structure for the MGXS.
-        nparticles : int
-            Number of particles to simulate per batch when generating MGXS.
+        settings : openmc.Settings
+            Settings for the generation run(s), used verbatim except for the
+            fields owned by the stochastic slab method.
         mgxs_path : str
             Filename for the MGXS HDF5 file.
         correction : str
@@ -2468,10 +2429,6 @@ class Model:
             A list of temperatures to generate MGXS at. Each infinite material region
             is isothermal at a given temperature data point for cross
             section generation.
-        temperature_settings : dict, optional
-            A dictionary of temperature settings to use when generating MGXS.
-            Valid entries for temperature_settings are the same as the valid
-            entries in openmc.Settings.temperature_settings.
         """
 
         # Stochastic slab geometry
@@ -2484,21 +2441,14 @@ class Model:
             source_energy=source_energy
         )
 
-        temp_settings = {}
-        if temperature_settings is None:
-            temp_settings = self.settings.temperature
-        else:
-            temp_settings = temperature_settings
-
         if temperatures is None:
             mgxs_sets = Model._isothermal_stochastic_slab_mgxs(
                 geo,
                 groups,
-                nparticles,
+                settings,
                 correction,
                 directory,
-                src,
-                temp_settings
+                src
             ).values()
 
             # Write the file to disk.
@@ -2513,11 +2463,10 @@ class Model:
                 raw_mgxs_sets[temperature] = Model._isothermal_stochastic_slab_mgxs(
                     geo,
                     groups,
-                    nparticles,
+                    settings,
                     correction,
                     directory,
                     src,
-                    temp_settings,
                     temperature
                 )
 
@@ -2539,10 +2488,9 @@ class Model:
     def _isothermal_materialwise_mgxs(
         input_model: openmc.Model,
         groups: openmc.mgxs.EnergyGroups,
-        nparticles: int,
+        settings: openmc.Settings,
         correction: str | None,
         directory: PathLike,
-        temperature_settings: dict,
         temperature: float | None = None,
     ) -> dict[str, openmc.XSdata]:
         """Generate a material-wise MGXS library for the model by running the
@@ -2559,17 +2507,13 @@ class Model:
             The model to use when computing material-wise MGXS.
         groups : openmc.mgxs.EnergyGroups
             Energy group structure for the MGXS.
-        nparticles : int
-            Number of particles to simulate per batch when generating MGXS.
+        settings : openmc.Settings
+            Settings for the generation run, used verbatim.
         correction : str
             Transport correction to apply to the MGXS. Options are None and
             "P0".
         directory : str
             Directory to run the simulation in, so as to contain XML files.
-        temperature_settings : dict
-            A dictionary of temperature settings to use when generating MGXS.
-            Valid entries for temperature_settings are the same as the valid
-            entries in openmc.Settings.temperature_settings.
         temperature : float, optional
             The isothermal temperature value to apply to the materials in the
             input model. If not specified, defaults to the temperatures in the
@@ -2587,12 +2531,8 @@ class Model:
             for material in model.geometry.get_all_materials().values():
                 material.temperature = temperature
 
-        # Settings
-        model.settings.batches = 200
-        model.settings.inactive = 100
-        model.settings.particles = nparticles
-        model.settings.output = {'summary': True, 'tallies': False}
-        model.settings.temperature = temperature_settings
+        # The provided settings are used verbatim
+        model.settings = copy.deepcopy(settings)
 
         # Generate MGXS
         mgxs_lib = Model._auto_generate_mgxs_lib(
@@ -2614,12 +2554,11 @@ class Model:
     def _generate_material_wise_mgxs(
         self,
         groups: openmc.mgxs.EnergyGroups,
-        nparticles: int,
+        settings: openmc.Settings,
         mgxs_path: PathLike,
         correction: str | None,
         directory: PathLike,
         temperatures: Sequence[float] | None = None,
-        temperature_settings: dict | None = None,
     ) -> None:
         """Generate a material-wise MGXS library for the model by running the
         original continuous energy OpenMC simulation of the full material
@@ -2635,8 +2574,8 @@ class Model:
         ----------
         groups : openmc.mgxs.EnergyGroups
             Energy group structure for the MGXS.
-        nparticles : int
-            Number of particles to simulate per batch when generating MGXS.
+        settings : openmc.Settings
+            Settings for the generation run(s), used verbatim.
         mgxs_path : PathLike
             Filename for the MGXS HDF5 file.
         correction : str
@@ -2648,26 +2587,10 @@ class Model:
             A list of temperatures to generate MGXS at. Each infinite material region
             is isothermal at a given temperature data point for cross
             section generation.
-        temperature_settings : dict, optional
-            A dictionary of temperature settings to use when generating MGXS.
-            Valid entries for temperature_settings are the same as the valid
-            entries in openmc.Settings.temperature_settings.
         """
-        temp_settings = {}
-        if temperature_settings is None:
-            temp_settings = self.settings.temperature
-        else:
-            temp_settings = temperature_settings
-
         if temperatures is None:
             mgxs_sets = Model._isothermal_materialwise_mgxs(
-                self,
-                groups,
-                nparticles,
-                correction,
-                directory,
-                temp_settings
-            ).values()
+                self, groups, settings, correction, directory).values()
 
             # Write the file to disk.
             mgxs_file = openmc.MGXSLibrary(energy_groups=groups)
@@ -2679,14 +2602,7 @@ class Model:
             raw_mgxs_sets = {}
             for temperature in temperatures:
                 raw_mgxs_sets[temperature] = Model._isothermal_materialwise_mgxs(
-                    self,
-                    groups,
-                    nparticles,
-                    correction,
-                    directory,
-                    temp_settings,
-                    temperature
-                )
+                    self, groups, settings, correction, directory, temperature)
 
             # Unpack the isothermal XSData objects and build a single XSData object per material.
             mgxs_sets = []
@@ -2706,13 +2622,14 @@ class Model:
         self,
         method: str = "material_wise",
         groups: str | Sequence[float] | openmc.mgxs.EnergyGroups = "CASMO-2",
-        nparticles: int = 2000,
+        nparticles: int | None = None,
         overwrite_mgxs_library: bool = False,
         mgxs_path: PathLike = "mgxs.h5",
         correction: str | None = None,
         source_energy: openmc.stats.Univariate | None = None,
         temperatures: Sequence[float] | None = None,
         temperature_settings: dict | None = None,
+        **kwargs,
     ):
         """Convert all materials from continuous energy to multigroup.
 
@@ -2732,6 +2649,10 @@ class Model:
             Defaults to ``"CASMO-2"``.
         nparticles : int, optional
             Number of particles to simulate per batch when generating MGXS.
+            Defaults to 2000.
+
+            .. deprecated:: 0.15.4
+                Pass ``particles`` as a keyword argument instead.
         overwrite_mgxs_library : bool, optional
             Whether to overwrite an existing MGXS library file.
         mgxs_path : str, optional
@@ -2765,10 +2686,121 @@ class Model:
             A dictionary of temperature settings to use when generating MGXS.
             Valid entries for temperature_settings are the same as the valid
             entries in openmc.Settings.temperature_settings.
+
+            .. deprecated:: 0.15.4
+                Pass ``temperature`` as a keyword argument instead.
+        **kwargs
+            :class:`openmc.Settings` attributes used to customize the continuous
+            energy simulation(s) that generate the MGXS library. Only the
+            attributes given override the generation defaults. For example,
+            ``model.convert_to_multigroup(particles=100_000)`` adjusts only the
+            particle count. The run mode cannot be overridden, as it is
+            determined by the generation method. The surrogate-geometry methods
+            also construct their own sources and always disable
+            ``create_fission_neutrons`` so that fission is treated as capture.
+            A ``weight_windows_file`` is applied during ``"material_wise"``
+            generation and ignored with a warning by the other methods; see the
+            user guide for the weight window "bootstrapping" workflow this
+            enables. Cannot be combined with the deprecated ``nparticles`` or
+            ``temperature_settings`` arguments.
+
+            .. versionadded:: 0.15.4
         """
         if not isinstance(groups, openmc.mgxs.EnergyGroups):
             groups = openmc.mgxs.EnergyGroups(groups)
 
+        check_value('method', method,
+                    ('material_wise', 'stochastic_slab', 'infinite_medium'))
+
+        # Keyword arguments are Settings attributes applied as overrides on
+        # the generation defaults
+        settings = openmc.Settings(**kwargs) if kwargs else None
+
+        # The model may reference its materials only through the geometry.
+        # The materials are converted in place and library-wide attributes
+        # like cross_sections must persist on the model afterwards, so
+        # populate the explicit collection if it is empty (sorted by ID for
+        # reproducibility, since geometry traversal order is arbitrary)
+        if not self.materials:
+            self.materials = openmc.Materials(sorted(
+                self.geometry.get_all_materials().values(),
+                key=lambda mat: mat.id))
+
+        if nparticles is not None or temperature_settings is not None:
+            warnings.warn(
+                'The "nparticles" and "temperature_settings" arguments are '
+                'deprecated. Pass "particles" and "temperature" as keyword '
+                'arguments instead.', FutureWarning)
+            if settings is not None:
+                raise ValueError(
+                    'The deprecated "nparticles" and "temperature_settings" '
+                    'arguments cannot be combined with Settings keyword '
+                    'arguments.')
+
+        # Resolve the settings for the MGXS generation run(s) in three layers,
+        # with later layers taking precedence: the model's own settings
+        # ("material_wise") or a fresh Settings object (surrogate methods), then
+        # the generation defaults, then the user's keyword-argument overrides.
+        user_settings = settings
+        if method == 'material_wise':
+            settings = copy.deepcopy(self.settings)
+        else:
+            settings = openmc.Settings()
+            settings.temperature = copy.deepcopy(self.settings.temperature)
+
+        settings.batches = 100 if method == 'infinite_medium' else 200
+        if method != 'infinite_medium':
+            settings.inactive = 100
+        settings.particles = 2000
+        settings.output = {'summary': True, 'tallies': False}
+        if nparticles is not None:
+            settings.particles = nparticles
+        if temperature_settings is not None:
+            settings.temperature = temperature_settings
+
+        if user_settings is not None:
+            # The surrogate-geometry methods construct their own sources
+            if method != "material_wise" and len(user_settings.source) > 0:
+                warnings.warn(
+                    'The given "source" setting is ignored by the '
+                    f'"{method}" MGXS generation method, which constructs '
+                    'its own sources.')
+            # Apply the settings attributes passed by the caller
+            for name in kwargs:
+                if hasattr(type(settings), name):
+                    setattr(settings, name, copy.deepcopy(
+                        getattr(user_settings, name)))
+
+        # The run mode is the one attribute that cannot be detected as
+        # user-populated (a fresh Settings object defaults it to 'eigenvalue'),
+        # so it is owned by the generation method: "material_wise" always takes
+        # it from the model, while the surrogate-geometry methods always run in
+        # fixed source mode. The surrogate-geometry methods also treat fission
+        # as capture (nu-fission is still tallied)
+        if method == 'material_wise':
+            settings.run_mode = self.settings.run_mode
+        else:
+            settings.run_mode = 'fixed source'
+            settings.create_fission_neutrons = False
+
+        # A weight windows file on the generation settings is loaded and
+        # applied (specifying a file turns weight windows on) during the
+        # "material_wise" method's continuous energy simulation of the
+        # original geometry, allowing materials far from the source --
+        # which an analog simulation may struggle to reach -- to still be
+        # tallied, and thus obtain nonzero cross sections. The
+        # "stochastic_slab" and "infinite_medium" methods use simplified
+        # surrogate geometries for which weight windows defined over the
+        # original geometry are neither applicable nor needed.
+        if settings.weight_windows_file is not None and \
+                method != "material_wise":
+            warnings.warn(
+                'The "weight_windows_file" setting is only applicable to '
+                'the "material_wise" MGXS generation method and will be '
+                f'ignored for the "{method}" method.'
+            )
+            settings.weight_windows_file = None
+
         # Do all work (including MGXS generation) in a temporary directory
         # to avoid polluting the working directory with residual XML files
         with TemporaryDirectory() as tmpdir:
@@ -2804,16 +2836,16 @@ class Model:
             if not Path(mgxs_path).is_file() or overwrite_mgxs_library:
                 if method == "infinite_medium":
                     self._generate_infinite_medium_mgxs(
-                        groups, nparticles, mgxs_path, correction, tmpdir, source_energy,
-                        temperatures, temperature_settings)
+                        groups, settings, mgxs_path, correction, tmpdir,
+                        source_energy, temperatures)
                 elif method == "material_wise":
                     self._generate_material_wise_mgxs(
-                        groups, nparticles, mgxs_path, correction, tmpdir,
-                        temperatures, temperature_settings)
+                        groups, settings, mgxs_path, correction, tmpdir,
+                        temperatures)
                 elif method == "stochastic_slab":
                     self._generate_stochastic_slab_mgxs(
-                        groups, nparticles, mgxs_path, correction, tmpdir, source_energy,
-                        temperatures, temperature_settings)
+                        groups, settings, mgxs_path, correction, tmpdir,
+                        source_energy, temperatures)
                 else:
                     raise ValueError(
                         f'MGXS generation method "{method}" not recognized')
diff --git a/openmc/settings.py b/openmc/settings.py
index 8120eb073..22f36b262 100644
--- a/openmc/settings.py
+++ b/openmc/settings.py
@@ -241,7 +241,7 @@ class Settings:
             also tends to dampen the convergence rate of the solver, thus requiring
             more iterations to converge.
         :adjoint_source:
-            Source object used to define localized adjoint source/detector response 
+            Source object used to define localized adjoint source/detector response
             function.
 
         .. versionadded:: 0.15.0
@@ -2031,11 +2031,11 @@ class Settings:
                         path = f"./mesh[@id='{mesh.id}']"
                         if root.find(path) is None:
                             root.append(mesh.to_xml_element())
-                            if mesh_memo is not None:    
+                            if mesh_memo is not None:
                                 mesh_memo.add(mesh.id)
                 elif key == 'adjoint_source':
                     subelement = ET.SubElement(element, 'adjoint_source')
-                    # Check that all entries are valid SourceBase instances, in case 
+                    # Check that all entries are valid SourceBase instances, in case
                     # the random_ray setter was not used to populate dict entries.
                     if not isinstance(value, MutableSequence):
                         value = [value]
diff --git a/src/random_ray/random_ray_simulation.cpp b/src/random_ray/random_ray_simulation.cpp
index 00fff99a7..6d6f2c743 100644
--- a/src/random_ray/random_ray_simulation.cpp
+++ b/src/random_ray/random_ray_simulation.cpp
@@ -392,6 +392,11 @@ void RandomRaySimulation::simulate()
   // Begin main simulation timer
   simulation::time_total.start();
 
+  // Reset per-solve accumulators, as simulate() may run more than once on the
+  // same object (e.g. forward then adjoint when generating weight windows)
+  avg_miss_rate_ = 0.0;
+  total_geometric_intersections_ = 0;
+
   // Random ray power iteration loop
   while (simulation::current_batch < settings::n_batches) {
     // Initialize the current batch
diff --git a/src/weight_windows.cpp b/src/weight_windows.cpp
index 0d268ce17..d3565eaaf 100644
--- a/src/weight_windows.cpp
+++ b/src/weight_windows.cpp
@@ -946,6 +946,11 @@ void apply_weight_windows(Particle& p)
   if (!settings::weight_windows_on)
     return;
 
+  // Random ray rays are not Monte Carlo particles and must not be biased by
+  // weight windows; the solver generates weight windows but never applies them
+  if (settings::solver_type == SolverType::RANDOM_RAY)
+    return;
+
   // WW on photon and neutron only
   if (!p.type().is_neutron() && !p.type().is_photon())
     return;
@@ -1004,14 +1009,27 @@ void apply_weight_window(Particle& p, WeightWindow weight_window)
   if (p.ww_factor() > 1.0)
     weight_window.scale(p.ww_factor());
 
-  // if particle's weight is above the weight window split until they are within
-  // the window
-  if (weight > weight_window.upper_weight) {
+  // If the particle's weight is above the weight window, split it until the
+  // resulting particles are within the window. The comparisons use a relative
+  // dead band so that the branch taken is insensitive to bit-level differences
+  // in the window bounds (see WEIGHT_WINDOW_REL_TOL).
+  if (weight > weight_window.upper_weight * (1.0 + WEIGHT_WINDOW_REL_TOL)) {
     // do not further split the particle if above the limit
     if (p.n_split() >= settings::max_history_splits)
       return;
 
-    double n_split = std::ceil(weight / weight_window.upper_weight);
+    // Dividing by the same dead-banded bound used in the branch condition
+    // keeps the number of splits stable when the weight-to-bound ratio sits
+    // within rounding of an exact integer, which the weight window arithmetic
+    // itself can produce (e.g., a roulette survivor assigned weight *
+    // max_split, later split against an upper bound that is an exact multiple
+    // of the same lower bound). Ratios within the dead band of an integer
+    // consistently round down, and the branch condition guarantees the ratio
+    // exceeds one; the lower clamp of 2 makes the always-splits invariant
+    // explicit.
+    double n_split = std::max(2.0,
+      std::ceil(
+        weight / ((1.0 + WEIGHT_WINDOW_REL_TOL) * weight_window.upper_weight)));
     double max_split = weight_window.max_split;
     n_split = std::min(n_split, max_split);
 
@@ -1025,7 +1043,8 @@ void apply_weight_window(Particle& p, WeightWindow weight_window)
     // remaining weight is applied to current particle
     p.wgt() = weight / n_split;
 
-  } else if (weight <= weight_window.lower_weight) {
+  } else if (weight <
+             weight_window.lower_weight * (1.0 - WEIGHT_WINDOW_REL_TOL)) {
     // if the particle weight is below the window, play Russian roulette
     double weight_survive =
       std::min(weight * weight_window.max_split, weight_window.survival_weight);
diff --git a/tests/regression_tests/random_ray_auto_convert/test.py b/tests/regression_tests/random_ray_auto_convert/test.py
index 99a931dce..df90dfb5c 100644
--- a/tests/regression_tests/random_ray_auto_convert/test.py
+++ b/tests/regression_tests/random_ray_auto_convert/test.py
@@ -27,7 +27,8 @@ def test_random_ray_auto_convert(method):
 
         # Convert to a multi-group model
         model.convert_to_multigroup(
-            method=method, groups='CASMO-2', nparticles=100,
+            method=method, groups='CASMO-2',
+            particles=100,
             overwrite_mgxs_library=False, mgxs_path="mgxs.h5"
         )
 
diff --git a/tests/regression_tests/random_ray_auto_convert_bootstrap/__init__.py b/tests/regression_tests/random_ray_auto_convert_bootstrap/__init__.py
new file mode 100644
index 000000000..e69de29bb
diff --git a/tests/regression_tests/random_ray_auto_convert_bootstrap/inputs_true.dat b/tests/regression_tests/random_ray_auto_convert_bootstrap/inputs_true.dat
new file mode 100644
index 000000000..825e8dbdb
--- /dev/null
+++ b/tests/regression_tests/random_ray_auto_convert_bootstrap/inputs_true.dat
@@ -0,0 +1,80 @@
+<?xml version='1.0' encoding='utf-8'?>
+<model>
+  <materials>
+    <material id="1" name="Air">
+      <density value="0.001225" units="g/cm3"/>
+      <nuclide name="N14" ao="0.79"/>
+      <nuclide name="O16" ao="0.21"/>
+    </material>
+    <material id="2" name="Concrete">
+      <density value="2.3" units="g/cm3"/>
+      <nuclide name="H1" ao="0.168759"/>
+      <nuclide name="O16" ao="0.562489"/>
+      <nuclide name="Si28" ao="0.203031"/>
+      <nuclide name="Ca40" ao="0.044849"/>
+      <nuclide name="Al27" ao="0.020872"/>
+    </material>
+    <material id="3" name="Steel">
+      <density value="7.87" units="g/cm3"/>
+      <nuclide name="Fe56" ao="1.0"/>
+    </material>
+  </materials>
+  <geometry>
+    <cell id="1" name="cavity" material="1" region="-9 8 -11 10 -13 12" universe="1"/>
+    <cell id="2" name="pocket" material="3" region="-15 14 -17 16 -19 18 -1" universe="1"/>
+    <cell id="3" name="concrete" material="2" region="-1 (9 | -8 | 11 | -10 | 13 | -12) (15 | -14 | 17 | -16 | 19 | -18 | 1)" universe="1"/>
+    <cell id="4" name="void" material="void" region="1 -3 2 -5 4 -7 6" universe="1"/>
+    <surface id="1" type="sphere" coeffs="0.0 0.0 0.0 66.0"/>
+    <surface id="2" type="x-plane" boundary="vacuum" coeffs="-70.0"/>
+    <surface id="3" type="x-plane" boundary="vacuum" coeffs="70.0"/>
+    <surface id="4" type="y-plane" boundary="vacuum" coeffs="-70.0"/>
+    <surface id="5" type="y-plane" boundary="vacuum" coeffs="70.0"/>
+    <surface id="6" type="z-plane" boundary="vacuum" coeffs="-70.0"/>
+    <surface id="7" type="z-plane" boundary="vacuum" coeffs="70.0"/>
+    <surface id="8" type="x-plane" coeffs="-60.0"/>
+    <surface id="9" type="x-plane" coeffs="-48.0"/>
+    <surface id="10" type="y-plane" coeffs="-6.0"/>
+    <surface id="11" type="y-plane" coeffs="6.0"/>
+    <surface id="12" type="z-plane" coeffs="-6.0"/>
+    <surface id="13" type="z-plane" coeffs="6.0"/>
+    <surface id="14" type="x-plane" coeffs="44.0"/>
+    <surface id="15" type="x-plane" coeffs="67.0"/>
+    <surface id="16" type="y-plane" coeffs="-4.0"/>
+    <surface id="17" type="y-plane" coeffs="4.0"/>
+    <surface id="18" type="z-plane" coeffs="-4.0"/>
+    <surface id="19" type="z-plane" coeffs="4.0"/>
+  </geometry>
+  <settings>
+    <run_mode>fixed source</run_mode>
+    <particles>20</particles>
+    <batches>10</batches>
+    <source type="independent" strength="1.0" particle="neutron">
+      <space type="box">
+        <parameters>-60.0 -6.0 -6.0 -48.0 6.0 6.0</parameters>
+      </space>
+      <angle type="isotropic"/>
+      <energy type="discrete">
+        <parameters>2000000.0 1.0</parameters>
+      </energy>
+      <constraints>
+        <domain_type>cell</domain_type>
+        <domain_ids>1</domain_ids>
+      </constraints>
+    </source>
+    <weight_windows_file>weight_windows.h5</weight_windows_file>
+    <weight_window_checkpoints>
+      <collision>true</collision>
+      <surface>true</surface>
+    </weight_window_checkpoints>
+    <max_history_splits>100000</max_history_splits>
+  </settings>
+  <tallies>
+    <filter id="193" type="cell">
+      <bins>1 2 3 4</bins>
+    </filter>
+    <tally id="405" name="flux">
+      <filters>193</filters>
+      <scores>flux</scores>
+    </tally>
+  </tallies>
+</model>
diff --git a/tests/regression_tests/random_ray_auto_convert_bootstrap/results_true.dat b/tests/regression_tests/random_ray_auto_convert_bootstrap/results_true.dat
new file mode 100644
index 000000000..f5d1b0506
--- /dev/null
+++ b/tests/regression_tests/random_ray_auto_convert_bootstrap/results_true.dat
@@ -0,0 +1,9 @@
+tally 1:
+9.500337E+01
+9.709273E+02
+2.417257E-04
+1.153221E-08
+9.046900E+02
+8.904339E+04
+1.034722E+02
+1.134807E+03
diff --git a/tests/regression_tests/random_ray_auto_convert_bootstrap/test.py b/tests/regression_tests/random_ray_auto_convert_bootstrap/test.py
new file mode 100644
index 000000000..21dbb2c03
--- /dev/null
+++ b/tests/regression_tests/random_ray_auto_convert_bootstrap/test.py
@@ -0,0 +1,101 @@
+import copy
+import os
+from pathlib import Path
+
+import numpy as np
+import openmc
+import openmc.mgxs
+from openmc.examples import sphere_with_shielded_pocket
+
+from tests.testing_harness import TolerantPyAPITestHarness
+
+
+GROUPS = 'CASMO-4'
+
+
+class MGXSTestHarness(TolerantPyAPITestHarness):
+    def _cleanup(self):
+        super()._cleanup()
+        for f in ('mgxs.h5', 'weight_windows.h5'):
+            if os.path.exists(f):
+                os.remove(f)
+
+
+def generate_weight_windows(model, mesh):
+    """Convert a multigroup model to random ray and run a FW-CADIS weight
+    window generation solve, producing weight_windows.h5."""
+    model.convert_to_random_ray()
+    rr = model.settings.random_ray
+    rr['source_region_meshes'] = [(mesh, [model.geometry.root_universe])]
+    rr['distance_inactive'] = 100.0
+    rr['distance_active'] = 400.0
+    rr['source_shape'] = 'flat'
+    rr['sample_method'] = 'halton'
+    rr['volume_estimator'] = 'hybrid'
+    model.settings.particles = 1000
+    model.settings.batches = 20
+    model.settings.inactive = 15
+    model.settings.weight_window_generators = openmc.WeightWindowGenerator(
+        method='fw_cadis', mesh=mesh, max_realizations=20,
+        energy_bounds=openmc.mgxs.EnergyGroups(GROUPS).group_edges)
+    model.run()
+
+
+def test_random_ray_auto_convert_bootstrap():
+    # Tests the weight window bootstrapped MGXS generation workflow, which
+    # consists of five OpenMC runs: a stochastic_slab MGXS generation, a random
+    # ray FW-CADIS weight window generation, a material_wise MGXS generation
+    # using those weight windows (which reach the steel pocket that an analog
+    # solve essentially never tallies), a second FW-CADIS generation using the
+    # bootstrapped library, and a final continuous energy Monte Carlo solve
+    # using the improved weight windows, whose tallies are compared against
+    # the reference results.
+    openmc.reset_auto_ids()
+    model = sphere_with_shielded_pocket()
+
+    # Used by the continuous energy solves below; these have no effect on the
+    # random ray solves (random ray generates weight windows but never applies
+    # them).
+    model.settings.weight_window_checkpoints = {
+        'collision': True, 'surface': True}
+    model.settings.max_history_splits = 100_000
+
+    # Overlay a ~10 cm source region / weight window mesh on the geometry
+    bbox = model.geometry.bounding_box
+    mesh = openmc.RegularMesh()
+    mesh.dimension = np.round(
+        (np.asarray(bbox.upper_right) - np.asarray(bbox.lower_left)) / 10.0
+    ).astype(int)
+    mesh.lower_left = bbox.lower_left
+    mesh.upper_right = bbox.upper_right
+
+    # Generate weight windows covering the whole problem with the
+    # stochastic_slab method and a random ray FW-CADIS solve
+    slab_model = copy.deepcopy(model)
+    slab_model.convert_to_multigroup(
+        method='stochastic_slab', groups=GROUPS, particles=50,
+        overwrite_mgxs_library=True, mgxs_path='mgxs.h5')
+    generate_weight_windows(slab_model, mesh)
+
+    # Bootstrap the material-wise MGXS generation with those weight windows,
+    # then regenerate the weight windows from the higher-fidelity library
+    boot_model = copy.deepcopy(model)
+    boot_model.convert_to_multigroup(
+        groups=GROUPS, particles=1,
+        weight_windows_file=Path('weight_windows.h5').resolve(),
+        overwrite_mgxs_library=True, mgxs_path='mgxs.h5')
+    generate_weight_windows(boot_model, mesh)
+
+    # Run the continuous energy model with the improved weight windows,
+    # tallying the flux in every region
+    model.settings.weight_windows_file = 'weight_windows.h5'
+    model.settings.particles = 20
+    model.settings.batches = 10
+    tally = openmc.Tally(name='flux')
+    tally.filters = [
+        openmc.CellFilter(list(model.geometry.get_all_cells().values()))]
+    tally.scores = ['flux']
+    model.tallies = openmc.Tallies([tally])
+
+    harness = MGXSTestHarness('statepoint.10.h5', model)
+    harness.main()
diff --git a/tests/regression_tests/random_ray_auto_convert_kappa_fission/test.py b/tests/regression_tests/random_ray_auto_convert_kappa_fission/test.py
index 6decf165a..8fca0fce8 100644
--- a/tests/regression_tests/random_ray_auto_convert_kappa_fission/test.py
+++ b/tests/regression_tests/random_ray_auto_convert_kappa_fission/test.py
@@ -27,7 +27,8 @@ def test_random_ray_auto_convert(method):
 
         # Convert to a multi-group model
         model.convert_to_multigroup(
-            method=method, groups='CASMO-2', nparticles=100,
+            method=method, groups='CASMO-2',
+            particles=100,
             overwrite_mgxs_library=False, mgxs_path="mgxs.h5"
         )
 
diff --git a/tests/regression_tests/random_ray_auto_convert_source_energy/test.py b/tests/regression_tests/random_ray_auto_convert_source_energy/test.py
index bb9119d89..ddb620b27 100644
--- a/tests/regression_tests/random_ray_auto_convert_source_energy/test.py
+++ b/tests/regression_tests/random_ray_auto_convert_source_energy/test.py
@@ -38,7 +38,8 @@ def test_random_ray_auto_convert_source_energy(method, source_type):
 
         # Convert to a multi-group model
         model.convert_to_multigroup(
-            method=method, groups='CASMO-8', nparticles=100,
+            method=method, groups='CASMO-8',
+            particles=100,
             overwrite_mgxs_library=False, mgxs_path="mgxs.h5",
             source_energy=source_energy
         )
diff --git a/tests/regression_tests/random_ray_auto_convert_temperature/test.py b/tests/regression_tests/random_ray_auto_convert_temperature/test.py
index 99c99e614..df2619000 100644
--- a/tests/regression_tests/random_ray_auto_convert_temperature/test.py
+++ b/tests/regression_tests/random_ray_auto_convert_temperature/test.py
@@ -34,9 +34,10 @@ def test_random_ray_auto_convert(method):
 
         # Convert to a multi-group model
         model.convert_to_multigroup(
-            method=method, groups='CASMO-2', nparticles=100,
+            method=method, groups='CASMO-2',
+            particles=100, temperature=temp_settings,
             overwrite_mgxs_library=False, mgxs_path="mgxs.h5",
-            temperatures=[294.0, 394.0], temperature_settings=temp_settings
+            temperatures=[294.0, 394.0]
         )
 
         # Convert to a random ray model
diff --git a/tests/regression_tests/random_ray_diagonal_stabilization/test.py b/tests/regression_tests/random_ray_diagonal_stabilization/test.py
index 8d36e1d25..4ea21ae1a 100644
--- a/tests/regression_tests/random_ray_diagonal_stabilization/test.py
+++ b/tests/regression_tests/random_ray_diagonal_stabilization/test.py
@@ -1,5 +1,6 @@
 import os
 
+import openmc
 from openmc.examples import pwr_pin_cell
 from openmc import RegularMesh
 
@@ -23,7 +24,8 @@ def test_random_ray_diagonal_stabilization():
     # MGXS data with some negatives on the diagonal, in order
     # to trigger diagonal correction.
     model.convert_to_multigroup(
-        method='material_wise', groups='CASMO-70', nparticles=13,
+        method='material_wise', groups='CASMO-70',
+        particles=13,
         overwrite_mgxs_library=True, mgxs_path="mgxs.h5", correction='P0'
     )
 
diff --git a/tests/regression_tests/weightwindows/local/results_true.dat b/tests/regression_tests/weightwindows/local/results_true.dat
index d3dfa119d..ebff4edac 100644
--- a/tests/regression_tests/weightwindows/local/results_true.dat
+++ b/tests/regression_tests/weightwindows/local/results_true.dat
@@ -1 +1 @@
-a78972fe3c0dadfc256cfb139c5ca8c7b634738e1895ad2d6286ed5e2567c6dc518e499363908e9058432684148a706a179a39110f703d5322491184a1d0c3e4
\ No newline at end of file
+41d8ba482783b724c61bf058a67ff701109076ac460f0be69b3a33c7a9e3e2aa5b5773442d33561b71c69500a9535f1ffb0f5e81f6ce364288c5094bbbc0a292
\ No newline at end of file
diff --git a/tests/unit_tests/dagmc/test_convert_to_multigroup.py b/tests/unit_tests/dagmc/test_convert_to_multigroup.py
index 069dc658e..57c93727e 100644
--- a/tests/unit_tests/dagmc/test_convert_to_multigroup.py
+++ b/tests/unit_tests/dagmc/test_convert_to_multigroup.py
@@ -45,7 +45,7 @@ def test_convert_to_multigroup_without_particles_batches(run_in_tmpdir):
     model.convert_to_multigroup(
         method='material_wise',
         groups='CASMO-2',
-        nparticles=10,
+        particles=10,
         overwrite_mgxs_library=True
     )
 
diff --git a/tests/unit_tests/test_model.py b/tests/unit_tests/test_model.py
index f60c458b6..5e3ba7e31 100644
--- a/tests/unit_tests/test_model.py
+++ b/tests/unit_tests/test_model.py
@@ -1090,3 +1090,159 @@ def test_convert_to_multigroup_preserves_material_names(run_in_tmpdir):
     macro = [m._macroscopic for m in model.materials]
     assert macro == [f"Steel_Plate__1_{a.id}", f"Steel_Plate__1_{b.id}"]
     assert len(set(macro)) == 2
+
+
+class _GenerationCaptured(Exception):
+    """Raised by the patched MGXS library builder to end generation early."""
+
+
+def _steel_water_model():
+    a = openmc.Material(name='steel')
+    a.add_element('Fe', 1.0)
+    a.set_density('g/cm3', 7.9)
+    b = openmc.Material(name='water')
+    b.add_element('H', 2.0)
+    b.add_element('O', 1.0)
+    b.set_density('g/cm3', 1.0)
+    s1 = openmc.Sphere(r=1.0)
+    s2 = openmc.Sphere(r=2.0, boundary_type='vacuum')
+    c1 = openmc.Cell(fill=a, region=-s1)
+    c2 = openmc.Cell(fill=b, region=+s1 & -s2)
+    return openmc.Model(openmc.Geometry([c1, c2]), openmc.Materials([a, b]))
+
+
+def _capture_generation_settings(monkeypatch, model, **kwargs):
+    """Return the Settings of the MGXS generation run by capturing the
+    generation model just before transport would start."""
+    captured = {}
+
+    def fake_auto_generate(gen_model, groups, correction, directory):
+        captured['settings'] = gen_model.settings
+        raise _GenerationCaptured()
+
+    monkeypatch.setattr(openmc.Model, '_auto_generate_mgxs_lib',
+                        fake_auto_generate)
+    with pytest.raises(_GenerationCaptured):
+        model.convert_to_multigroup(**kwargs)
+    return captured['settings']
+
+
+def test_convert_to_multigroup_material_wise(run_in_tmpdir, monkeypatch):
+    model = _steel_water_model()
+    model.settings.run_mode = 'fixed source'
+    model.settings.source = openmc.IndependentSource(space=openmc.stats.Point())
+    model.settings.photon_transport = True
+    model.settings.batches = 1200  # tuned for the final multigroup solve
+
+    gen = _capture_generation_settings(
+        monkeypatch, model, method='material_wise', particles=12345, seed=7)
+
+    # Keyword-argument overrides take precedence over the generation
+    # defaults...
+    assert gen.particles == 12345
+    assert gen.seed == 7
+    # ...the generation defaults override the model's own settings...
+    assert gen.batches == 200
+    assert gen.inactive == 100
+    assert gen.output == {'summary': True, 'tallies': False}
+    # ...and everything else is inherited from the model
+    assert gen.run_mode == 'fixed source'
+    assert gen.photon_transport is True
+    assert len(gen.source) == 1
+
+    # The run mode is owned by the generation method: material_wise always
+    # takes it from the model, even when given as an override
+    model.settings.run_mode = 'eigenvalue'
+    gen = _capture_generation_settings(
+        monkeypatch, model, method='material_wise', run_mode='fixed source')
+    assert gen.run_mode == 'eigenvalue'
+
+
+def test_convert_to_multigroup_stochastic_slab(run_in_tmpdir, monkeypatch):
+    model = _steel_water_model()
+    src = openmc.IndependentSource(space=openmc.stats.Point())
+
+    with pytest.warns(UserWarning, match='constructs its own'):
+        gen = _capture_generation_settings(
+            monkeypatch, model, method='stochastic_slab', particles=999,
+            batches=50, max_history_splits=42, source=src)
+
+    assert gen.particles == 999
+    assert gen.batches == 50
+    assert gen.max_history_splits == 42
+    # The method constructs its own source and run mode; the user's source
+    # was discarded with a warning
+    assert gen.run_mode == 'fixed source'
+    assert gen.create_fission_neutrons is False
+    assert len(gen.source) > 0
+    assert all(s is not src for s in gen.source)
+
+
+def test_convert_to_multigroup_weight_windows(run_in_tmpdir, monkeypatch):
+    model = _steel_water_model()
+    ww_path = Path('ww.h5').resolve()
+
+    gen = _capture_generation_settings(
+        monkeypatch, model, method='material_wise',
+        weight_windows_file=ww_path)
+
+    # A weight windows file is passed through to the "material_wise"
+    # generation run (specifying a file turns weight windows on at run time)
+    assert gen.weight_windows_file == ww_path
+
+    # An explicit weight_windows_on=False rides along with the file and
+    # overrides the run-time file-implied enable
+    gen = _capture_generation_settings(
+        monkeypatch, model, method='material_wise',
+        weight_windows_file=ww_path, weight_windows_on=False)
+    assert gen.weight_windows_file == ww_path
+    assert gen.weight_windows_on is False
+
+    # The surrogate-geometry methods ignore the file with a warning
+    with pytest.warns(UserWarning, match='material_wise'):
+        gen = _capture_generation_settings(
+            monkeypatch, model, method='stochastic_slab',
+            weight_windows_file=ww_path)
+    assert gen.weight_windows_file is None
+
+
+def test_convert_to_multigroup_validation(run_in_tmpdir):
+    model = _steel_water_model()
+
+    with pytest.raises(ValueError):
+        model.convert_to_multigroup(method='not_a_method')
+
+    # The deprecated arguments cannot be combined with keyword overrides
+    with pytest.raises(ValueError, match='deprecated'), \
+            pytest.warns(FutureWarning):
+        model.convert_to_multigroup(nparticles=1000, particles=500)
+    with pytest.raises(ValueError, match='deprecated'), \
+            pytest.warns(FutureWarning):
+        model.convert_to_multigroup(
+            temperature_settings={'method': 'interpolation'},
+            temperature={'method': 'interpolation'})
+
+
+def test_convert_to_multigroup_deprecated_args(run_in_tmpdir, monkeypatch):
+    # The deprecated arguments still work, with a FutureWarning
+    model = _steel_water_model()
+    with pytest.warns(FutureWarning, match='deprecated'):
+        gen = _capture_generation_settings(
+            monkeypatch, model, method='stochastic_slab', nparticles=1234,
+            temperature_settings={'method': 'interpolation'})
+    assert gen.particles == 1234
+    assert gen.temperature == {'method': 'interpolation'}
+    assert gen.batches == 200  # generation default unchanged
+
+
+def test_convert_to_multigroup_materials_from_geometry(run_in_tmpdir):
+    # A model whose materials are only referenced through the geometry gets
+    # its materials collection populated (sorted by ID) for the conversion
+    model = _steel_water_model()
+    model.materials = openmc.Materials()
+    ids = sorted(model.geometry.get_all_materials())
+
+    Path('mgxs.h5').touch()
+    model.convert_to_multigroup(
+        method='stochastic_slab', mgxs_path='mgxs.h5')
+    assert [m.id for m in model.materials] == ids
diff --git a/tests/unit_tests/weightwindows/test.py b/tests/unit_tests/weightwindows/test.py
index efa203b51..c9b24e305 100644
--- a/tests/unit_tests/weightwindows/test.py
+++ b/tests/unit_tests/weightwindows/test.py
@@ -249,7 +249,7 @@ def test_photon_heating(run_in_tmpdir, shared_secondary):
 
     model.settings.run_mode = 'fixed source'
     model.settings.batches = 5
-    model.settings.particles = 101
+    model.settings.particles = 100
     model.settings.shared_secondary_bank = shared_secondary
 
     tally = openmc.Tally()
diff --git a/tests/unit_tests/weightwindows/test_ww_gen.py b/tests/unit_tests/weightwindows/test_ww_gen.py
index a4456e680..9cb61f0ef 100644
--- a/tests/unit_tests/weightwindows/test_ww_gen.py
+++ b/tests/unit_tests/weightwindows/test_ww_gen.py
@@ -366,7 +366,7 @@ def test_ww_generation_with_dagmc(run_in_tmpdir):
     rr_model.convert_to_multigroup(
         method="stochastic_slab",
         overwrite_mgxs_library=True,
-        nparticles=10,
+        particles=10,
         groups="CASMO-2"
     )